smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[N@H+](C)C1CC([NH3+])C1)c1cccc(Cl)c1 ZINC000414779891 533734790 /nfs/dbraw/zinc/73/47/90/533734790.db2.gz RXTUUUAYMYORFX-FNBIGBAISA-N 2 0 252.789 2.865 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423195013 533755043 /nfs/dbraw/zinc/75/50/43/533755043.db2.gz XDRNOQJZTIOGDY-KMFMINBZSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414885740 533769675 /nfs/dbraw/zinc/76/96/75/533769675.db2.gz XJFSSKSVEBESAN-JTQLQIEISA-N 2 0 263.772 2.573 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422735765 533783463 /nfs/dbraw/zinc/78/34/63/533783463.db2.gz VEISYGRKYBHKNJ-UAGQMJEPSA-N 2 0 289.467 2.833 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422735766 533784655 /nfs/dbraw/zinc/78/46/55/533784655.db2.gz VEISYGRKYBHKNJ-USXIJHARSA-N 2 0 289.467 2.833 20 0 CFADRP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414860411 533788313 /nfs/dbraw/zinc/78/83/13/533788313.db2.gz VHGIEUKCXYHUAS-KIMDAOQFSA-N 2 0 280.362 2.956 20 0 CFADRP C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)C1C[NH2+]C1 ZINC000422937300 533791032 /nfs/dbraw/zinc/79/10/32/533791032.db2.gz JJPRSKMWBGGUGW-NSHDSACASA-N 2 0 264.800 2.917 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422752352 533792953 /nfs/dbraw/zinc/79/29/53/533792953.db2.gz DWENGSOGUMFVCF-SJJOOFSGSA-N 2 0 293.499 2.616 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422882106 533796626 /nfs/dbraw/zinc/79/66/26/533796626.db2.gz PAFLYZUBEJYPGV-XMTFNYHQSA-N 3 0 295.515 2.852 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2cccn2)cc1 ZINC000422813909 533806194 /nfs/dbraw/zinc/80/61/94/533806194.db2.gz YZHREGKJJDRULG-JEYLPNPQSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856535 533812340 /nfs/dbraw/zinc/81/23/40/533812340.db2.gz OFSUTSYKFBSICC-OUAUKWLOSA-N 2 0 252.324 2.695 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331258 533828685 /nfs/dbraw/zinc/82/86/85/533828685.db2.gz CPYCOYJCEFAEEY-HNNXBMFYSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423034689 533835998 /nfs/dbraw/zinc/83/59/98/533835998.db2.gz QHNNZOQTJVZTJQ-UUAJXVIYSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000414682738 533839988 /nfs/dbraw/zinc/83/99/88/533839988.db2.gz RVDDYMHEFKBMHS-VXGBXAGGSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422886999 533845282 /nfs/dbraw/zinc/84/52/82/533845282.db2.gz AKYWSAABEVEHQO-ZBFHGGJFSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@H]1CCC[NH2+]1 ZINC000422768065 533868733 /nfs/dbraw/zinc/86/87/33/533868733.db2.gz UCPIJCUNYCVQCS-XHDPSFHLSA-N 2 0 275.371 2.580 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000422955222 533872021 /nfs/dbraw/zinc/87/20/21/533872021.db2.gz IZBPRXHIADCAHT-BDAKNGLRSA-N 2 0 260.303 2.882 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000423468391 533873416 /nfs/dbraw/zinc/87/34/16/533873416.db2.gz YHOWOZLXGTYSEZ-ZIAGYGMSSA-N 2 0 286.423 2.865 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795707 533870067 /nfs/dbraw/zinc/87/00/67/533870067.db2.gz WGESHWSIXRPRDI-MRXNPFEDSA-N 3 0 289.467 2.890 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423119380 533870099 /nfs/dbraw/zinc/87/00/99/533870099.db2.gz CFJGZNVFYFUIIY-FVQBIDKESA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422768534 533882391 /nfs/dbraw/zinc/88/23/91/533882391.db2.gz UQZHGBJAUCOLRJ-YHUYYLMFSA-N 2 0 282.472 2.948 20 0 CFADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OC(C)C ZINC000415070617 533901912 /nfs/dbraw/zinc/90/19/12/533901912.db2.gz YHWCEXBNFMQJLO-CYBMUJFWSA-N 2 0 280.412 2.699 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccncc1 ZINC000171126442 533917052 /nfs/dbraw/zinc/91/70/52/533917052.db2.gz OCBAQEJIXVPVFN-AWEZNQCLSA-N 2 0 269.392 2.994 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414978162 533950642 /nfs/dbraw/zinc/95/06/42/533950642.db2.gz SHKXDMHZRQQPET-KZJSRBBCSA-N 2 0 274.408 2.830 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422770432 533960052 /nfs/dbraw/zinc/96/00/52/533960052.db2.gz WPUGEFBZZDMGJQ-XJFOESAGSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000422925651 533973098 /nfs/dbraw/zinc/97/30/98/533973098.db2.gz BXINICMZQJUKPN-UWVGGRQHSA-N 2 0 288.313 2.844 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827683 533989277 /nfs/dbraw/zinc/98/92/77/533989277.db2.gz HNOBGKSHUQLSGI-HIFRSBDPSA-N 2 0 264.388 2.736 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425361577 533997989 /nfs/dbraw/zinc/99/79/89/533997989.db2.gz UGOYTOZJEHLIFI-HZPDHXFCSA-N 2 0 291.464 2.782 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772538 534070346 /nfs/dbraw/zinc/07/03/46/534070346.db2.gz ZGZISQNSIKMFAX-WBMJQRKESA-N 2 0 289.398 2.827 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422935931 534074893 /nfs/dbraw/zinc/07/48/93/534074893.db2.gz BCGGRURSXUENCO-IUODEOHRSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)C(C)(C)CN2CCCCCC2)CC[NH2+]1 ZINC000414747424 534077831 /nfs/dbraw/zinc/07/78/31/534077831.db2.gz SANBZLOYFYGMKH-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423176545 534077898 /nfs/dbraw/zinc/07/78/98/534077898.db2.gz GJCRSEXJMKUXEB-OUAUKWLOSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422957763 534087452 /nfs/dbraw/zinc/08/74/52/534087452.db2.gz NWWZZJDWPVTONY-IILCGPCKSA-N 2 0 256.393 2.793 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(OC(C)C)c1 ZINC000422878645 534088243 /nfs/dbraw/zinc/08/82/43/534088243.db2.gz TZPPWAPGNIMVHL-ZIAGYGMSSA-N 2 0 264.413 2.998 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)cc(C)c1OC(F)F ZINC000414767448 534167162 /nfs/dbraw/zinc/16/71/62/534167162.db2.gz GCCIZFKIXVUTJB-UHFFFAOYSA-N 2 0 284.350 2.826 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(F)c3cccnc23)CCC[NH2+]C1 ZINC000414915611 534176797 /nfs/dbraw/zinc/17/67/97/534176797.db2.gz ZVIFWONLQGKKDT-KRWDZBQOSA-N 2 0 287.382 2.853 20 0 CFADRP Cc1ccc(O)c(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000415059599 534197935 /nfs/dbraw/zinc/19/79/35/534197935.db2.gz VBNBJXNNQZOSRU-HNNXBMFYSA-N 2 0 285.391 2.665 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)o1 ZINC000414839860 534217414 /nfs/dbraw/zinc/21/74/14/534217414.db2.gz WQVQZWQHVPKFMB-GFCCVEGCSA-N 2 0 291.420 2.801 20 0 CFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422880362 534218316 /nfs/dbraw/zinc/21/83/16/534218316.db2.gz WVBZULJBZGVMBA-VHSXEESVSA-N 2 0 288.338 2.512 20 0 CFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422880358 534218989 /nfs/dbraw/zinc/21/89/89/534218989.db2.gz WVBZULJBZGVMBA-NXEZZACHSA-N 2 0 288.338 2.512 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000414797352 534239524 /nfs/dbraw/zinc/23/95/24/534239524.db2.gz CQTJOENEGAHQKM-JTQLQIEISA-N 2 0 274.330 2.963 20 0 CFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562467 534246261 /nfs/dbraw/zinc/24/62/61/534246261.db2.gz QFLPXTXSBJJDKA-HNNXBMFYSA-N 2 0 258.409 2.693 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423473899 534336668 /nfs/dbraw/zinc/33/66/68/534336668.db2.gz GYKFNTJZOWMYEW-DGCLKSJQSA-N 2 0 296.436 2.718 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300297791 518694541 /nfs/dbraw/zinc/69/45/41/518694541.db2.gz FLQKOZWFAMLZDG-ZJIFWQFVSA-N 2 0 282.472 2.684 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@H]1CCOC1)C(C)C ZINC000155819392 519643804 /nfs/dbraw/zinc/64/38/04/519643804.db2.gz GDZJXMITDNRPFC-CABCVRRESA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000163578520 519653647 /nfs/dbraw/zinc/65/36/47/519653647.db2.gz INBWNLBTSMBWOT-WBVHZDCISA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000163576648 519654016 /nfs/dbraw/zinc/65/40/16/519654016.db2.gz IIHOZJJUYDQXRN-AEFFLSMTSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340701537 519664760 /nfs/dbraw/zinc/66/47/60/519664760.db2.gz VYNLYKAJTQVTLM-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP Fc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000414828446 534439881 /nfs/dbraw/zinc/43/98/81/534439881.db2.gz IWWPSXVGKJRNCV-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000361284890 519693125 /nfs/dbraw/zinc/69/31/25/519693125.db2.gz FLWLFGRVUOQVPT-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000053659725 519720351 /nfs/dbraw/zinc/72/03/51/519720351.db2.gz DBOUKRHFTWWPOC-UHFFFAOYSA-N 2 0 260.425 2.939 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000312888685 519749037 /nfs/dbraw/zinc/74/90/37/519749037.db2.gz HVWBMRYIALDZGI-STQMWFEESA-N 2 0 277.412 2.813 20 0 CFADRP CC(C)[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000157286073 519816116 /nfs/dbraw/zinc/81/61/16/519816116.db2.gz HYTYKGRMPLZFPU-KSZLIROESA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000070347233 519827281 /nfs/dbraw/zinc/82/72/81/519827281.db2.gz HILAYLKXAOUSNP-JKSUJKDBSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000414165115 534450545 /nfs/dbraw/zinc/45/05/45/534450545.db2.gz BOSUYJJFSJNSOX-SOKAGKCESA-N 2 0 276.399 3.000 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000071090925 519846777 /nfs/dbraw/zinc/84/67/77/519846777.db2.gz ZHDDQZZCSLNKIR-SFHVURJKSA-N 2 0 288.435 2.764 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cs1 ZINC000156980435 519861552 /nfs/dbraw/zinc/86/15/52/519861552.db2.gz PYSCCEJOFMVAHU-JSGCOSHPSA-N 2 0 281.469 2.739 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000341494840 520006102 /nfs/dbraw/zinc/00/61/02/520006102.db2.gz YJKHIGHCFAJLQC-HNNXBMFYSA-N 2 0 292.471 2.717 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CCC[NH+](CC)CC)CC1 ZINC000191788448 520284809 /nfs/dbraw/zinc/28/48/09/520284809.db2.gz SZQZUGKFAWJYNS-INIZCTEOSA-N 2 0 270.461 2.999 20 0 CFADRP Fc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000423163222 534484161 /nfs/dbraw/zinc/48/41/61/534484161.db2.gz VHWCKKAQCHLTBJ-FOSCPWQOSA-N 2 0 298.789 2.731 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330576 534485209 /nfs/dbraw/zinc/48/52/09/534485209.db2.gz AWFPVUGHCIVMDJ-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000224589175 520366273 /nfs/dbraw/zinc/36/62/73/520366273.db2.gz PZXUMSAVMIUYFH-ZIAGYGMSSA-N 2 0 256.434 2.510 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422767179 534496758 /nfs/dbraw/zinc/49/67/58/534496758.db2.gz YHURISGJKCNMLE-RCCFBDPRSA-N 2 0 287.451 2.999 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000165962663 520503285 /nfs/dbraw/zinc/50/32/85/520503285.db2.gz CXYTXJRONCBFRE-GOEBONIOSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000165946158 520503925 /nfs/dbraw/zinc/50/39/25/520503925.db2.gz WKEZKOARJUVDOZ-CRAIPNDOSA-N 2 0 290.451 2.929 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C(C)(C)O1 ZINC000334872611 520523965 /nfs/dbraw/zinc/52/39/65/520523965.db2.gz YCMMNECNBAUMPF-CQSZACIVSA-N 2 0 273.380 2.770 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250953 534498946 /nfs/dbraw/zinc/49/89/46/534498946.db2.gz RHKKUJNMYOYDHV-BLLLJJGKSA-N 2 0 262.372 2.792 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422936321 534499098 /nfs/dbraw/zinc/49/90/98/534499098.db2.gz MAWQEPXWOFTZQB-DXBFTMOHSA-N 2 0 260.356 2.686 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000334965069 520553159 /nfs/dbraw/zinc/55/31/59/520553159.db2.gz CXDWLZBHTKRATA-HNNXBMFYSA-N 2 0 280.456 2.941 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)C1(C)C ZINC000085379480 520573982 /nfs/dbraw/zinc/57/39/82/520573982.db2.gz QRLVERLQBCFXQC-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000310502051 520576837 /nfs/dbraw/zinc/57/68/37/520576837.db2.gz MRCFLPBYOXYEMM-JSGCOSHPSA-N 2 0 256.459 2.592 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000422953725 534503031 /nfs/dbraw/zinc/50/30/31/534503031.db2.gz GJHOGCWAKVUQLH-DXBFTMOHSA-N 2 0 260.356 2.686 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000336828799 520631697 /nfs/dbraw/zinc/63/16/97/520631697.db2.gz ANLKMUOFVHRNMK-OAHLLOKOSA-N 2 0 281.488 2.713 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000337412295 520636579 /nfs/dbraw/zinc/63/65/79/520636579.db2.gz WZSQOGUURRFRGB-ZFWWWQNUSA-N 2 0 280.460 2.890 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000423216376 534510391 /nfs/dbraw/zinc/51/03/91/534510391.db2.gz RUVXQKJGKTXTTD-ZMSDIMECSA-N 2 0 273.424 2.697 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000312415011 520760101 /nfs/dbraw/zinc/76/01/01/520760101.db2.gz QQUNOJYTFKBCPI-HNNXBMFYSA-N 3 0 277.456 2.745 20 0 CFADRP CC1([NH2+]Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000334845545 520769016 /nfs/dbraw/zinc/76/90/16/520769016.db2.gz XBOABBUKYJIUFI-UHFFFAOYSA-N 2 0 283.213 2.681 20 0 CFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340236760 521019795 /nfs/dbraw/zinc/01/97/95/521019795.db2.gz LQLFCJXCIGZORU-IAGOWNOFSA-N 2 0 294.483 2.782 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000162839650 521024768 /nfs/dbraw/zinc/02/47/68/521024768.db2.gz NWEMYBDMLSZPKB-IAGOWNOFSA-N 2 0 289.467 2.975 20 0 CFADRP Cc1cnc(C(C)(C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414716032 534538620 /nfs/dbraw/zinc/53/86/20/534538620.db2.gz XSGNPBORKGBBHC-CMPLNLGQSA-N 2 0 267.442 2.664 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000151784519 521156865 /nfs/dbraw/zinc/15/68/65/521156865.db2.gz VGCOPALAILETHH-SFHVURJKSA-N 2 0 290.451 2.822 20 0 CFADRP [NH3+]C1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCCCC1 ZINC000414833852 534548789 /nfs/dbraw/zinc/54/87/89/534548789.db2.gz BETXVYSWEXXZQQ-UHFFFAOYSA-N 2 0 288.435 2.805 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC000361464347 521490801 /nfs/dbraw/zinc/49/08/01/521490801.db2.gz JBFDUJPMVOQORZ-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]CCC2CCCCC2)CC1 ZINC000361539012 521679974 /nfs/dbraw/zinc/67/99/74/521679974.db2.gz CXJPPTRWZXUXSB-UHFFFAOYSA-N 2 0 295.515 2.964 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000338689010 521681887 /nfs/dbraw/zinc/68/18/87/521681887.db2.gz BAEVIZAIFAQTLO-SFHVURJKSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000155735388 521694941 /nfs/dbraw/zinc/69/49/41/521694941.db2.gz KGTADSDNKNEVEY-SJORKVTESA-N 2 0 289.467 2.672 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000353106108 521700334 /nfs/dbraw/zinc/70/03/34/521700334.db2.gz CWNAGZBUHFGPMC-DOTOQJQBSA-N 2 0 287.451 2.717 20 0 CFADRP CCSCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000306039148 521705441 /nfs/dbraw/zinc/70/54/41/521705441.db2.gz ROBZXRQSHUNJQM-MCIONIFRSA-N 2 0 256.459 2.640 20 0 CFADRP CC[N@@H+]1CC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000163216562 521710619 /nfs/dbraw/zinc/71/06/19/521710619.db2.gz YUNKCDFXPUYWET-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(COC)c2)[C@@H](C)C1 ZINC000246500469 521713925 /nfs/dbraw/zinc/71/39/25/521713925.db2.gz HQFYXBGVABOWGF-MAUKXSAKSA-N 2 0 290.451 2.995 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccncc2)[C@@H](C)C1 ZINC000360472589 521714232 /nfs/dbraw/zinc/71/42/32/521714232.db2.gz GZDOFNYBTXSQTG-DOTOQJQBSA-N 2 0 275.440 2.676 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(OC)CCCC2)[C@H](C)C1 ZINC000361550295 521719846 /nfs/dbraw/zinc/71/98/46/521719846.db2.gz RMHVGQVOCGWEPI-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCC(C)C)C[C@H]1C ZINC000360676508 521720139 /nfs/dbraw/zinc/72/01/39/521720139.db2.gz PCLJTCICIPMBDB-OWCLPIDISA-N 2 0 270.461 2.588 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@@H](C)C1 ZINC000305134752 521721117 /nfs/dbraw/zinc/72/11/17/521721117.db2.gz KRMHOEBUWXQULU-HOTGVXAUSA-N 2 0 282.472 2.639 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192931404 522259024 /nfs/dbraw/zinc/25/90/24/522259024.db2.gz FCOZEJBVXGHUJG-DLBZAZTESA-N 2 0 276.424 2.523 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000234743533 522288153 /nfs/dbraw/zinc/28/81/53/522288153.db2.gz SUTUBDUYNIPZJS-WBVHZDCISA-N 2 0 288.391 2.713 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000234745806 522289630 /nfs/dbraw/zinc/28/96/30/522289630.db2.gz RPPWOMPSXHWSPI-TZMCWYRMSA-N 2 0 298.427 2.706 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCCC1 ZINC000361573338 522605030 /nfs/dbraw/zinc/60/50/30/522605030.db2.gz ZNLZUSHWGSVCRV-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000360469332 522629198 /nfs/dbraw/zinc/62/91/98/522629198.db2.gz OOETWVKCVCVQLM-GOSISDBHSA-N 2 0 287.451 2.678 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)C(C)C ZINC000234798549 522668722 /nfs/dbraw/zinc/66/87/22/522668722.db2.gz VFJKZYCQGICPNR-HOTGVXAUSA-N 2 0 264.413 2.727 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000234697260 522668736 /nfs/dbraw/zinc/66/87/36/522668736.db2.gz UBTCKPAULNEFSS-ZBFHGGJFSA-N 2 0 294.439 2.878 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(C)cc1 ZINC000234027586 522706831 /nfs/dbraw/zinc/70/68/31/522706831.db2.gz DEVOAAICWIQHGR-HOTGVXAUSA-N 2 0 264.413 2.790 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000195138655 522745290 /nfs/dbraw/zinc/74/52/90/522745290.db2.gz RNPDVRYVUGBMIB-MSOLQXFVSA-N 2 0 290.451 2.769 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340707952 522781705 /nfs/dbraw/zinc/78/17/05/522781705.db2.gz JJSDYGROJGWXDU-MRXNPFEDSA-N 2 0 280.387 2.526 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422939683 534680824 /nfs/dbraw/zinc/68/08/24/534680824.db2.gz ICTFBGDAZFUFQL-HUUCEWRRSA-N 2 0 262.397 2.542 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423101195 534688465 /nfs/dbraw/zinc/68/84/65/534688465.db2.gz IGOIWOBXPGJRKF-HZPDHXFCSA-N 2 0 261.413 2.572 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361340147 523250801 /nfs/dbraw/zinc/25/08/01/523250801.db2.gz AHHYPUKIXKFRNJ-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000414985310 534725463 /nfs/dbraw/zinc/72/54/63/534725463.db2.gz BEXXJTUGFCVYOR-LRDDRELGSA-N 2 0 287.382 2.981 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000365890363 523752752 /nfs/dbraw/zinc/75/27/52/523752752.db2.gz VPZUHVWPHSWNNR-OWCLPIDISA-N 2 0 292.467 2.656 20 0 CFADRP COc1ccc(C)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192619138 523807983 /nfs/dbraw/zinc/80/79/83/523807983.db2.gz HCYMECWEZPMKJC-ALOPSCKCSA-N 2 0 288.435 2.761 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162265533 523818520 /nfs/dbraw/zinc/81/85/20/523818520.db2.gz OHMLKYSMWAQXMM-CQSZACIVSA-N 2 0 268.445 2.750 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000311170376 523853547 /nfs/dbraw/zinc/85/35/47/523853547.db2.gz SIVLXYURXGVILP-QWHCGFSZSA-N 2 0 250.386 2.782 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191637610 523897750 /nfs/dbraw/zinc/89/77/50/523897750.db2.gz NQLUNMXUUYPILD-UONOGXRCSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@H]1c1ccccc1 ZINC000365829638 523980689 /nfs/dbraw/zinc/98/06/89/523980689.db2.gz YCNXQFCVYIURIZ-FGTMMUONSA-N 2 0 286.419 2.962 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000360242103 524048131 /nfs/dbraw/zinc/04/81/31/524048131.db2.gz NDQCWLFTFXSFSW-ROUUACIJSA-N 2 0 290.451 2.746 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000309401807 524140380 /nfs/dbraw/zinc/14/03/80/524140380.db2.gz JENNMHBIAVANKA-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000314392310 524173837 /nfs/dbraw/zinc/17/38/37/524173837.db2.gz SGNXGBWQRRJKHS-ULQDDVLXSA-N 2 0 288.435 2.741 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000084132327 524262466 /nfs/dbraw/zinc/26/24/66/524262466.db2.gz XUVZFYBPALGIGE-KRWDZBQOSA-N 2 0 258.409 2.797 20 0 CFADRP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000334882517 524269444 /nfs/dbraw/zinc/26/94/44/524269444.db2.gz NMTSWZALLQWBQQ-XYPWUTKMSA-N 2 0 258.409 2.984 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000313990162 524445125 /nfs/dbraw/zinc/44/51/25/524445125.db2.gz KIVFHZXQVVTPRO-CGTJXYLNSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000158583980 524548537 /nfs/dbraw/zinc/54/85/37/524548537.db2.gz QFFLPCVINHKJLK-JKSUJKDBSA-N 2 0 278.444 2.516 20 0 CFADRP C[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccc(F)cc1 ZINC000261755444 524587383 /nfs/dbraw/zinc/58/73/83/524587383.db2.gz CLVARJNBACTFEQ-STQMWFEESA-N 2 0 264.388 2.988 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000335023374 524599766 /nfs/dbraw/zinc/59/97/66/524599766.db2.gz GZEOWGKGFICAQT-SWLSCSKDSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1csc(C2([NH2+][C@H](C)CCC[NH3+])CCC2)n1 ZINC000422935245 534796211 /nfs/dbraw/zinc/79/62/11/534796211.db2.gz GXWGISPGVYOWDM-SNVBAGLBSA-N 2 0 253.415 2.548 20 0 CFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422840557 534801263 /nfs/dbraw/zinc/80/12/63/534801263.db2.gz BSTLERIXUXGTGG-NWDGAFQWSA-N 2 0 290.386 2.535 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000422912262 534803177 /nfs/dbraw/zinc/80/31/77/534803177.db2.gz VRPJHDFLMANAIK-KGLIPLIRSA-N 2 0 281.469 2.894 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000422908455 534803668 /nfs/dbraw/zinc/80/36/68/534803668.db2.gz MOZSOJDIESFFSB-OLZOCXBDSA-N 2 0 267.442 2.504 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000193982735 524754499 /nfs/dbraw/zinc/75/44/99/524754499.db2.gz RNDWFRQCPZAYBJ-VVLHAWIVSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc2cccnc12 ZINC000334856135 524781761 /nfs/dbraw/zinc/78/17/61/524781761.db2.gz GEWWKIZRRVARBO-BBRMVZONSA-N 2 0 269.392 2.631 20 0 CFADRP C[C@H]1C[C@@H](Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000155938907 524815382 /nfs/dbraw/zinc/81/53/82/524815382.db2.gz CVWLYWMVJRJUSL-HOCLYGCPSA-N 2 0 291.439 2.522 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000129033783 524851813 /nfs/dbraw/zinc/85/18/13/524851813.db2.gz QCBBYJXYKDVTNP-ZDUSSCGKSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000216051286 524896748 /nfs/dbraw/zinc/89/67/48/524896748.db2.gz HIIAYQQZRXEGSW-CMPLNLGQSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000361481280 524897769 /nfs/dbraw/zinc/89/77/69/524897769.db2.gz LAEKHGWRHZPOCW-GDBMZVCRSA-N 2 0 276.424 2.774 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000360235627 524900941 /nfs/dbraw/zinc/90/09/41/524900941.db2.gz WLPROQYBPGOYNN-SJLPKXTDSA-N 2 0 289.467 2.833 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000312159659 524902009 /nfs/dbraw/zinc/90/20/09/524902009.db2.gz MLEBDDBTXDCWKP-CZUORRHYSA-N 2 0 269.392 2.665 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000050577299 524977689 /nfs/dbraw/zinc/97/76/89/524977689.db2.gz LFVJHCQDHSSNJG-CQSZACIVSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000261531585 525094622 /nfs/dbraw/zinc/09/46/22/525094622.db2.gz HECOHBSSLYIOAH-LDYMZIIASA-N 2 0 289.242 2.598 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2(C)Cc3ccccc3C2)CC[NH2+]1 ZINC000334845331 525240683 /nfs/dbraw/zinc/24/06/83/525240683.db2.gz FVGQOMLJPZLYSK-KGLIPLIRSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000361024379 525265900 /nfs/dbraw/zinc/26/59/00/525265900.db2.gz XNZZCQKDHLMLGN-PBHICJAKSA-N 2 0 288.435 2.626 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cncs1 ZINC000227497121 525316817 /nfs/dbraw/zinc/31/68/17/525316817.db2.gz NEPXJBFUGFAZJO-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000313926436 525411856 /nfs/dbraw/zinc/41/18/56/525411856.db2.gz XIKJSIIUCVCABR-RYQLBKOJSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1cc(Br)cs1 ZINC000229851365 525434562 /nfs/dbraw/zinc/43/45/62/525434562.db2.gz FPNMLAAIFBJJIL-SSDOTTSWSA-N 2 0 263.204 2.510 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccccn1 ZINC000237594299 525439665 /nfs/dbraw/zinc/43/96/65/525439665.db2.gz VIMHPPJDDBITIY-AWEZNQCLSA-N 2 0 269.392 2.994 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353540857 525492339 /nfs/dbraw/zinc/49/23/39/525492339.db2.gz QFJVKWMUIJKVDP-LSDHHAIUSA-N 2 0 275.440 2.740 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000168609855 525733557 /nfs/dbraw/zinc/73/35/57/525733557.db2.gz UWJKJMLLYCQBRM-HIFRSBDPSA-N 2 0 285.391 2.819 20 0 CFADRP CSCc1cnc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000339344414 525749361 /nfs/dbraw/zinc/74/93/61/525749361.db2.gz QINWMKDRLKDQNE-UHFFFAOYSA-N 2 0 299.509 2.828 20 0 CFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336128088 526078023 /nfs/dbraw/zinc/07/80/23/526078023.db2.gz JKOSJFDODHBPAA-CYBMUJFWSA-N 2 0 262.372 2.962 20 0 CFADRP Cc1c[nH+]ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000191979184 526242370 /nfs/dbraw/zinc/24/23/70/526242370.db2.gz ZLNQUOVBUFJJOO-UHFFFAOYSA-N 2 0 282.391 2.862 20 0 CFADRP O[C@H](C[NH2+][C@H]1CCCCc2ccccc21)C[NH+]1CCCC1 ZINC000360250306 526281191 /nfs/dbraw/zinc/28/11/91/526281191.db2.gz OMFKROLXIRXIQI-AEFFLSMTSA-N 2 0 288.435 2.500 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414858023 526287141 /nfs/dbraw/zinc/28/71/41/526287141.db2.gz HKUHPVAUANNZHZ-UHFFFAOYSA-N 2 0 281.488 2.891 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc12 ZINC000334868530 526396562 /nfs/dbraw/zinc/39/65/62/526396562.db2.gz LRCLMNSUQIQYFU-NVXWUHKLSA-N 2 0 284.407 2.527 20 0 CFADRP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)noc1-c1ccccc1 ZINC000319236744 526399097 /nfs/dbraw/zinc/39/90/97/526399097.db2.gz LSBQRZNSKOZXJJ-IYBDPMFKSA-N 2 0 297.402 2.773 20 0 CFADRP c1cc(CCC[NH2+]CCC[NH+]2CCCC2)cc2c1OCC2 ZINC000361008475 526420575 /nfs/dbraw/zinc/42/05/75/526420575.db2.gz LVJHSDNOVVPHMY-UHFFFAOYSA-N 2 0 288.435 2.630 20 0 CFADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360544640 526514185 /nfs/dbraw/zinc/51/41/85/526514185.db2.gz KDMBTKIWMROVJP-LJQANCHMSA-N 2 0 296.414 2.904 20 0 CFADRP c1sc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1C1CC1 ZINC000334997053 526631791 /nfs/dbraw/zinc/63/17/91/526631791.db2.gz QZHKPFFDGAGDMH-UHFFFAOYSA-N 2 0 277.437 2.596 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000414845260 526880378 /nfs/dbraw/zinc/88/03/78/526880378.db2.gz FUGQKYWHFHVGFI-LBPRGKRZSA-N 2 0 281.469 2.920 20 0 CFADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335057534 526964556 /nfs/dbraw/zinc/96/45/56/526964556.db2.gz FNPADJLFGJXXGW-HNNXBMFYSA-N 2 0 262.784 2.837 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423460248 527084714 /nfs/dbraw/zinc/08/47/14/527084714.db2.gz MEDZDOYOCFCALP-BJJXKVORSA-N 2 0 289.423 2.813 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCSC2)C2CC3CC(C2)CC1C3 ZINC000335071698 527132774 /nfs/dbraw/zinc/13/27/74/527132774.db2.gz XCWMXNDOXZCXRO-BAPHQMLMSA-N 2 0 280.481 2.625 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159302907 527208893 /nfs/dbraw/zinc/20/88/93/527208893.db2.gz XLGJBCOHFHWGHY-HOCLYGCPSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2Cl)CC12CCOCC2 ZINC000335253188 527241493 /nfs/dbraw/zinc/24/14/93/527241493.db2.gz QHOXNFVIBRHQIW-AWEZNQCLSA-N 2 0 294.826 2.527 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000339286722 527270417 /nfs/dbraw/zinc/27/04/17/527270417.db2.gz NOEKEFRGIZFVOO-CQSZACIVSA-N 2 0 276.428 2.529 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1Cl ZINC000334994753 527347255 /nfs/dbraw/zinc/34/72/55/527347255.db2.gz HHXIAERSVNFQLY-AWEZNQCLSA-N 2 0 265.788 2.623 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]21 ZINC000230046630 527354064 /nfs/dbraw/zinc/35/40/64/527354064.db2.gz SQRIHMIMEUEDBP-HYVNUMGLSA-N 2 0 274.408 2.515 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)c2ccccc21 ZINC000157270493 527376215 /nfs/dbraw/zinc/37/62/15/527376215.db2.gz FCISKPGFKNUKLP-IAGOWNOFSA-N 2 0 273.424 2.597 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000334846137 527402847 /nfs/dbraw/zinc/40/28/47/527402847.db2.gz MICOVFNRFYYION-VHSXEESVSA-N 2 0 289.242 2.870 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCCC[NH+]2CCCCC2)c2ccccc21 ZINC000157270640 527417554 /nfs/dbraw/zinc/41/75/54/527417554.db2.gz FCISKPGFKNUKLP-DLBZAZTESA-N 2 0 273.424 2.597 20 0 CFADRP C(C[NH+](CC1CC1)CC1CC1)C[NH+]1CCCCC1 ZINC000161835556 527477915 /nfs/dbraw/zinc/47/79/15/527477915.db2.gz XCNXGUUMQOOQGY-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCCC1 ZINC000423147793 527490998 /nfs/dbraw/zinc/49/09/98/527490998.db2.gz DKIMIJRHKGSQDP-YESZJQIVSA-N 2 0 280.456 2.704 20 0 CFADRP FC(F)(F)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000334995436 527681580 /nfs/dbraw/zinc/68/15/80/527681580.db2.gz DVXHVECJAGLSEX-UHFFFAOYSA-N 2 0 299.340 2.676 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228410208 527684872 /nfs/dbraw/zinc/68/48/72/527684872.db2.gz SUJYVRMLRYHXOV-UHFFFAOYSA-N 2 0 272.314 2.937 20 0 CFADRP CCC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCOCC1 ZINC000422815306 527752759 /nfs/dbraw/zinc/75/27/59/527752759.db2.gz XHGPLPHPHPJNHO-ZDUSSCGKSA-N 2 0 291.439 2.706 20 0 CFADRP CC(C)CCOc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000414878746 527777047 /nfs/dbraw/zinc/77/70/47/527777047.db2.gz HHCUSIFLQPXONF-CQSZACIVSA-N 2 0 264.413 2.938 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(C(C)C)s2)[C@H](C)C1 ZINC000426301798 527798599 /nfs/dbraw/zinc/79/85/99/527798599.db2.gz OULIZLSUUXYMTQ-CHWSQXEVSA-N 2 0 296.484 2.524 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccoc1 ZINC000423188254 527808368 /nfs/dbraw/zinc/80/83/68/527808368.db2.gz PXFADVNJWAVSKY-QGZVFWFLSA-N 2 0 293.455 2.642 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423221398 527940827 /nfs/dbraw/zinc/94/08/27/527940827.db2.gz ZTJYDRRYHNGPEK-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000423246736 527973004 /nfs/dbraw/zinc/97/30/04/527973004.db2.gz PWRLQSDXGKGBCW-BMGDILEWSA-N 2 0 289.467 2.740 20 0 CFADRP CC1(C[NH2+]C/C=C\c2ccc(F)cc2)CC[NH2+]CC1 ZINC000414907349 527979581 /nfs/dbraw/zinc/97/95/81/527979581.db2.gz QINATMCYFABMFK-IHWYPQMZSA-N 2 0 262.372 2.818 20 0 CFADRP CC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000414902097 527980908 /nfs/dbraw/zinc/98/09/08/527980908.db2.gz KHAPGOCINQFEMV-HOTGVXAUSA-N 2 0 258.409 2.769 20 0 CFADRP CC1(C[NH2+]Cc2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000414905927 527981151 /nfs/dbraw/zinc/98/11/51/527981151.db2.gz OSYZHDVMHGTSRU-UHFFFAOYSA-N 2 0 284.350 2.767 20 0 CFADRP CC1(C[NH2+]Cc2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000414897136 527981323 /nfs/dbraw/zinc/98/13/23/527981323.db2.gz AXJWLPXSGGBECS-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CC1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH2+]CC1 ZINC000414904539 527981341 /nfs/dbraw/zinc/98/13/41/527981341.db2.gz NKVCKEGVRPDRJV-UHFFFAOYSA-N 2 0 288.435 2.955 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2OC(F)F)CC[NH2+]CC1 ZINC000414897460 527983436 /nfs/dbraw/zinc/98/34/36/527983436.db2.gz BRFVQDUGORZMPL-UHFFFAOYSA-N 2 0 284.350 2.767 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC[NH2+]CC1 ZINC000423337298 527986091 /nfs/dbraw/zinc/98/60/91/527986091.db2.gz UDWUSZIJDJJRJU-UONOGXRCSA-N 2 0 256.409 2.884 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423141517 527998293 /nfs/dbraw/zinc/99/82/93/527998293.db2.gz QMWDFVMUHHSRLN-JZXOWHBKSA-N 2 0 291.483 2.655 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H](C)c1c[nH+]ccc1N ZINC000422712302 528058824 /nfs/dbraw/zinc/05/88/24/528058824.db2.gz NWGASEMLXMLDGU-AWEZNQCLSA-N 2 0 278.444 2.657 20 0 CFADRP CC(C)COC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414693939 528080162 /nfs/dbraw/zinc/08/01/62/528080162.db2.gz SCPRNNUXSXGVCU-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423164365 528086236 /nfs/dbraw/zinc/08/62/36/528086236.db2.gz OGTDLXXXVCNHMM-BQJWPVKWSA-N 2 0 280.456 2.843 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423164364 528086493 /nfs/dbraw/zinc/08/64/93/528086493.db2.gz OGTDLXXXVCNHMM-BPKGMFCQSA-N 2 0 280.456 2.843 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414872417 528112836 /nfs/dbraw/zinc/11/28/36/528112836.db2.gz FZCJXPCDQPABGF-ZIAGYGMSSA-N 2 0 291.439 2.712 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422935220 528123359 /nfs/dbraw/zinc/12/33/59/528123359.db2.gz DJEGXSCNMVVESY-AWEZNQCLSA-N 2 0 264.413 2.906 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414693053 528123740 /nfs/dbraw/zinc/12/37/40/528123740.db2.gz DHEOXZXBZYPMGL-UUAJXVIYSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1(C)C ZINC000422757443 528132757 /nfs/dbraw/zinc/13/27/57/528132757.db2.gz CYBBCLJCHGNRQM-SOUVJXGZSA-N 2 0 270.461 2.933 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423239365 528133890 /nfs/dbraw/zinc/13/38/90/528133890.db2.gz JWWRTTXBSVSMRO-WFFDWFOESA-N 2 0 287.451 2.682 20 0 CFADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423301583 528150087 /nfs/dbraw/zinc/15/00/87/528150087.db2.gz HUDKQLOHJMKKAH-KRWDZBQOSA-N 2 0 258.409 2.996 20 0 CFADRP CC(C)COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414834572 528153766 /nfs/dbraw/zinc/15/37/66/528153766.db2.gz SSRBYTZVGUHUTM-INIZCTEOSA-N 2 0 276.424 2.811 20 0 CFADRP CC(C)COc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301609 528161191 /nfs/dbraw/zinc/16/11/91/528161191.db2.gz HZBZGAPXNNPFQJ-CYBMUJFWSA-N 2 0 262.397 2.591 20 0 CFADRP CC(C)COc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414826239 528172568 /nfs/dbraw/zinc/17/25/68/528172568.db2.gz FFVYZMWCVPZDSU-HNNXBMFYSA-N 2 0 276.424 2.811 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422959290 528204378 /nfs/dbraw/zinc/20/43/78/528204378.db2.gz RJHCMJCQVXXWAR-UONOGXRCSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301329 528206256 /nfs/dbraw/zinc/20/62/56/528206256.db2.gz HHQPMPOZRYUZQL-ZWKOTPCHSA-N 2 0 288.435 2.919 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422873244 528245063 /nfs/dbraw/zinc/24/50/63/528245063.db2.gz KQXKYMVIOFZIBB-ZDUSSCGKSA-N 2 0 250.386 2.611 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423089393 528267691 /nfs/dbraw/zinc/26/76/91/528267691.db2.gz VETGRFUCKBUPEL-ARFHVFGLSA-N 2 0 269.477 2.617 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OC ZINC000422738481 528282042 /nfs/dbraw/zinc/28/20/42/528282042.db2.gz YZDPBMCXUOAZFB-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP CC[NH2+]Cc1cccc(NC[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414860546 528347560 /nfs/dbraw/zinc/34/75/60/528347560.db2.gz CWDBHHZVGXLAML-DZGCQCFKSA-N 2 0 261.413 2.596 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000414869419 528348584 /nfs/dbraw/zinc/34/85/84/528348584.db2.gz PZVQQOSYLHYYJH-ZFWWWQNUSA-N 2 0 261.413 2.739 20 0 CFADRP CC[N@H+](CCC[NH3+])Cc1cccc(Br)c1 ZINC000414680066 528444410 /nfs/dbraw/zinc/44/44/10/528444410.db2.gz SNGHWBMEEAFQNU-UHFFFAOYSA-N 2 0 271.202 2.620 20 0 CFADRP CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414903114 528455801 /nfs/dbraw/zinc/45/58/01/528455801.db2.gz LDCPHWXRXKYWCF-UHFFFAOYSA-N 2 0 262.397 2.565 20 0 CFADRP CCN(CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422785204 528460378 /nfs/dbraw/zinc/46/03/78/528460378.db2.gz MWBJBNIPRLPPIF-WBVHZDCISA-N 2 0 275.440 2.620 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425363826 528462622 /nfs/dbraw/zinc/46/26/22/528462622.db2.gz WUAQFQXHJYYTTI-UONOGXRCSA-N 2 0 256.459 2.735 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000422866030 528465318 /nfs/dbraw/zinc/46/53/18/528465318.db2.gz ZYDDDFJEYFVTAI-WFASDCNBSA-N 2 0 280.387 2.702 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000422843320 528466815 /nfs/dbraw/zinc/46/68/15/528466815.db2.gz HVVZEUUVBYAXRG-FGTMMUONSA-N 2 0 295.515 2.721 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422740135 528470051 /nfs/dbraw/zinc/47/00/51/528470051.db2.gz MMMFYRAVSNFKIQ-JKSUJKDBSA-N 2 0 269.477 2.748 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423335830 528488471 /nfs/dbraw/zinc/48/84/71/528488471.db2.gz XKNNOCKPIMBUGX-IAGOWNOFSA-N 2 0 276.424 2.555 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414872766 528513750 /nfs/dbraw/zinc/51/37/50/528513750.db2.gz QCMLKPCRDGBHEL-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP CCN(CC[NH2+][C@H](C)CCC[NH3+])c1cccc(C)c1 ZINC000422775059 528514704 /nfs/dbraw/zinc/51/47/04/528514704.db2.gz ZRRONFHFTDXMDO-OAHLLOKOSA-N 2 0 263.429 2.538 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414876835 528515033 /nfs/dbraw/zinc/51/50/33/528515033.db2.gz WNHQQEZYNDROGC-GHMZBOCLSA-N 2 0 252.324 2.697 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414790498 528531616 /nfs/dbraw/zinc/53/16/16/528531616.db2.gz GRPWANWXSBXRTB-FZMZJTMJSA-N 2 0 299.256 2.953 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423267013 528534401 /nfs/dbraw/zinc/53/44/01/528534401.db2.gz FCAPYTOTZFQYNJ-ABAIWWIYSA-N 2 0 270.367 2.859 20 0 CFADRP CCC[NH2+][C@@H](C)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000414478188 528547412 /nfs/dbraw/zinc/54/74/12/528547412.db2.gz FHUDTBTWEZKLOT-LBPRGKRZSA-N 2 0 288.395 2.859 20 0 CFADRP CC(C)n1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000414807715 528566243 /nfs/dbraw/zinc/56/62/43/528566243.db2.gz JILIJQOAUVTMQG-ZDUSSCGKSA-N 2 0 272.396 2.774 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000414179095 528575922 /nfs/dbraw/zinc/57/59/22/528575922.db2.gz LDOWWJUVYJDFIM-HUUCEWRRSA-N 2 0 278.444 2.847 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000423481411 528576339 /nfs/dbraw/zinc/57/63/39/528576339.db2.gz OLJSVXQIKQONPM-HIFRSBDPSA-N 2 0 264.417 2.647 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000422708869 528578479 /nfs/dbraw/zinc/57/84/79/528578479.db2.gz JSSKFZGESYNJNE-MELADBBJSA-N 2 0 264.417 2.503 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000423537210 528578793 /nfs/dbraw/zinc/57/87/93/528578793.db2.gz CCZZHVAPRYELNA-KNCOVGOOSA-N 2 0 276.428 2.503 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OCC ZINC000422767694 528596518 /nfs/dbraw/zinc/59/65/18/528596518.db2.gz YTNRIANICNNUQA-CHWSQXEVSA-N 2 0 292.423 2.743 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1OCC ZINC000423255990 528607220 /nfs/dbraw/zinc/60/72/20/528607220.db2.gz BEAMHNFRLCXUBY-KBPBESRZSA-N 2 0 294.439 2.990 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)CC[NH2+]CC1 ZINC000423164105 528609510 /nfs/dbraw/zinc/60/95/10/528609510.db2.gz NVUKTTZZWIYTIP-ZIAGYGMSSA-N 2 0 298.471 2.722 20 0 CFADRP CCC(CC)(CC)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414779956 528621962 /nfs/dbraw/zinc/62/19/62/528621962.db2.gz KZHJBMDPNXRZKR-HNNXBMFYSA-N 2 0 282.472 2.890 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422931904 528632175 /nfs/dbraw/zinc/63/21/75/528632175.db2.gz YKFQIYBODRTNJG-HZSPNIEDSA-N 2 0 256.434 2.545 20 0 CFADRP CCOc1cccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)n1 ZINC000414816247 528655312 /nfs/dbraw/zinc/65/53/12/528655312.db2.gz ZPWLIUIUOHTRSW-ZDUSSCGKSA-N 2 0 285.391 2.790 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414877349 528675959 /nfs/dbraw/zinc/67/59/59/528675959.db2.gz MPNYDXVXPFHSDK-ZDUSSCGKSA-N 2 0 250.386 2.550 20 0 CFADRP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414818435 528684617 /nfs/dbraw/zinc/68/46/17/528684617.db2.gz VTBBAKFAJNUZNK-XYPWUTKMSA-N 2 0 274.408 2.848 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1OCC ZINC000414888235 528687591 /nfs/dbraw/zinc/68/75/91/528687591.db2.gz RBESRCISTBKUDQ-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422783587 528689917 /nfs/dbraw/zinc/68/99/17/528689917.db2.gz OLAAZIIDQKTDOR-OLZOCXBDSA-N 2 0 250.386 2.863 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414794802 528691434 /nfs/dbraw/zinc/69/14/34/528691434.db2.gz MFMAVORPAMXTNK-CABCVRRESA-N 2 0 292.423 2.701 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000423125373 528735117 /nfs/dbraw/zinc/73/51/17/528735117.db2.gz HXAPQETUAFCGNV-LLVKDONJSA-N 2 0 253.390 2.543 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000414800998 528759102 /nfs/dbraw/zinc/75/91/02/528759102.db2.gz SSTLOKGHMAKFTI-HOCLYGCPSA-N 2 0 262.397 2.692 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423157220 528761449 /nfs/dbraw/zinc/76/14/49/528761449.db2.gz UYCKTQRFWYDCEP-QXSJWSMHSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423157219 528762468 /nfs/dbraw/zinc/76/24/68/528762468.db2.gz UYCKTQRFWYDCEP-JONQDZQNSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CCO1 ZINC000414804458 528767906 /nfs/dbraw/zinc/76/79/06/528767906.db2.gz FBRJHBRGGZSRJZ-JQFCIGGWSA-N 2 0 276.424 3.000 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000414959949 528841825 /nfs/dbraw/zinc/84/18/25/528841825.db2.gz GFAUJAJIJGICRO-MRXNPFEDSA-N 2 0 290.455 2.548 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000422966377 528857085 /nfs/dbraw/zinc/85/70/85/528857085.db2.gz RFSLFOBVAKDMIH-JYJNAYRXSA-N 2 0 269.477 2.602 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422783127 528907805 /nfs/dbraw/zinc/90/78/05/528907805.db2.gz MSZNJGPIXGTLLE-ARFHVFGLSA-N 2 0 280.456 2.702 20 0 CFADRP CCCC[C@H](CCC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422869676 528920194 /nfs/dbraw/zinc/92/01/94/528920194.db2.gz WQSGQHVVDKXFAL-QKPAOTATSA-N 2 0 270.461 2.935 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000414806578 528950051 /nfs/dbraw/zinc/95/00/51/528950051.db2.gz HSOYZKOZKLAWQU-ZDUSSCGKSA-N 2 0 294.439 2.829 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000423292165 528951177 /nfs/dbraw/zinc/95/11/77/528951177.db2.gz LTAPAHSLAJALSI-LSDHHAIUSA-N 2 0 298.471 2.996 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423289053 528954542 /nfs/dbraw/zinc/95/45/42/528954542.db2.gz VXSIOKBNXSTKMQ-KBPBESRZSA-N 2 0 278.444 2.553 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423300884 528957984 /nfs/dbraw/zinc/95/79/84/528957984.db2.gz SJAAQKXTXBLKHG-NXHRZFHOSA-N 2 0 289.467 2.614 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423320256 528987591 /nfs/dbraw/zinc/98/75/91/528987591.db2.gz MGGBTSGDJPBYEB-IRXDYDNUSA-N 2 0 260.425 2.971 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423212099 529007451 /nfs/dbraw/zinc/00/74/51/529007451.db2.gz ZRLUIRIPANPICJ-MRXNPFEDSA-N 2 0 295.858 2.676 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423245760 529031095 /nfs/dbraw/zinc/03/10/95/529031095.db2.gz JIQXBKZPPHPOJA-WBVHZDCISA-N 2 0 278.415 2.982 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423240262 529033768 /nfs/dbraw/zinc/03/37/68/529033768.db2.gz BZDFROUDUSGTML-IRXDYDNUSA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423240263 529034735 /nfs/dbraw/zinc/03/47/35/529034735.db2.gz BZDFROUDUSGTML-SJORKVTESA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423288970 529035345 /nfs/dbraw/zinc/03/53/45/529035345.db2.gz AEORCUVWKUZDFQ-YOEHRIQHSA-N 2 0 286.423 2.717 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422835621 529042546 /nfs/dbraw/zinc/04/25/46/529042546.db2.gz PRNUMSHMSXJJGY-SJORKVTESA-N 2 0 276.424 2.973 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422836956 529042615 /nfs/dbraw/zinc/04/26/15/529042615.db2.gz SHJWMANLQLVDLW-CQSZACIVSA-N 2 0 264.413 2.830 20 0 CFADRP CC1(C)CCc2ccccc2[C@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000423317258 529055898 /nfs/dbraw/zinc/05/58/98/529055898.db2.gz KDVTYBQUWFNNTM-MRXNPFEDSA-N 2 0 258.409 2.899 20 0 CFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414793375 529067482 /nfs/dbraw/zinc/06/74/82/529067482.db2.gz KIRPOZKTTPAARH-DJIMGWMZSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414796132 529070659 /nfs/dbraw/zinc/07/06/59/529070659.db2.gz NQFFUVSPSHMHCA-IUODEOHRSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423267350 529071858 /nfs/dbraw/zinc/07/18/58/529071858.db2.gz FJRVCGBVTLYIPE-USXIJHARSA-N 2 0 276.424 2.727 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414804858 529072430 /nfs/dbraw/zinc/07/24/30/529072430.db2.gz XXVGZQIRXKOTPG-BBWFWOEESA-N 2 0 260.425 2.971 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@@H]1OC ZINC000422936114 529111412 /nfs/dbraw/zinc/11/14/12/529111412.db2.gz IAPDQOHDCQQSBJ-YJNKXOJESA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423308323 529119852 /nfs/dbraw/zinc/11/98/52/529119852.db2.gz XLHYMOHQKPPVIT-AWEZNQCLSA-N 2 0 252.789 2.846 20 0 CFADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(Br)c1 ZINC000423303854 529158914 /nfs/dbraw/zinc/15/89/14/529158914.db2.gz MRJINBVIWNPICZ-CYBMUJFWSA-N 2 0 283.213 2.709 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422755811 529171866 /nfs/dbraw/zinc/17/18/66/529171866.db2.gz HDWKKYMKZJJXDH-NXHRZFHOSA-N 2 0 290.451 2.960 20 0 CFADRP CCS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422820352 529228891 /nfs/dbraw/zinc/22/88/91/529228891.db2.gz QBQFWQCINVIGGB-YYJFMHSASA-N 2 0 268.470 2.923 20 0 CFADRP CCSc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414831324 529252329 /nfs/dbraw/zinc/25/23/29/529252329.db2.gz NCUYJSOPSLWDDU-ZDUSSCGKSA-N 2 0 264.438 2.888 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000423159670 529287285 /nfs/dbraw/zinc/28/72/85/529287285.db2.gz PQBXHDGJNCKWNL-QLFBSQMISA-N 2 0 256.434 2.546 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427140044 529336346 /nfs/dbraw/zinc/33/63/46/529336346.db2.gz MXAJARJABWUJFW-OIISXLGYSA-N 2 0 258.409 2.864 20 0 CFADRP CC[C@H](C[NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000414981276 529361051 /nfs/dbraw/zinc/36/10/51/529361051.db2.gz WXAAFGXBDXOCMD-MRXNPFEDSA-N 2 0 290.451 2.786 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922717 529368265 /nfs/dbraw/zinc/36/82/65/529368265.db2.gz UENLDORHYORZEH-QLFBSQMISA-N 2 0 264.413 2.868 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(F)c1 ZINC000422855490 529369520 /nfs/dbraw/zinc/36/95/20/529369520.db2.gz VPHXJVYEMDGVDA-FRFSOERESA-N 2 0 294.414 2.961 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453087655 534958615 /nfs/dbraw/zinc/95/86/15/534958615.db2.gz IWHIUOYYGTWBNE-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443056233 535124053 /nfs/dbraw/zinc/12/40/53/535124053.db2.gz CJKNNQGEXNRLQV-OLZOCXBDSA-N 2 0 280.416 2.534 20 0 CFADRP CC1(C)CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000459489501 535322057 /nfs/dbraw/zinc/32/20/57/535322057.db2.gz KGJJEDPZZVHUAS-INIZCTEOSA-N 2 0 289.423 2.598 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433159782 535384488 /nfs/dbraw/zinc/38/44/88/535384488.db2.gz FQTWXULSXOGACK-OAHLLOKOSA-N 2 0 297.487 2.521 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449746306 535673146 /nfs/dbraw/zinc/67/31/46/535673146.db2.gz RCZDRVBFLZJOPQ-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453091740 535695117 /nfs/dbraw/zinc/69/51/17/535695117.db2.gz SFPDBQYWLXHPBW-GOSISDBHSA-N 2 0 293.499 2.572 20 0 CFADRP CCc1cc(NC2CC[NH+](CC(C)C)CC2)cc[nH+]1 ZINC000450243435 536088562 /nfs/dbraw/zinc/08/85/62/536088562.db2.gz NHFXIZZDRSZIQS-UHFFFAOYSA-N 2 0 261.413 2.598 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000444636781 536357914 /nfs/dbraw/zinc/35/79/14/536357914.db2.gz OGJRINLARHLETF-KBPBESRZSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712295 536370732 /nfs/dbraw/zinc/37/07/32/536370732.db2.gz YSSZAKYTUWQUSC-VXGBXAGGSA-N 2 0 264.335 2.745 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459567294 536371232 /nfs/dbraw/zinc/37/12/32/536371232.db2.gz VLQIEHSJHKPCMA-RHSMWYFYSA-N 2 0 296.455 2.524 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000459746205 536384178 /nfs/dbraw/zinc/38/41/78/536384178.db2.gz ZBVCKVKOEISAFE-OAHLLOKOSA-N 2 0 298.434 2.898 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000459789212 536385142 /nfs/dbraw/zinc/38/51/42/536385142.db2.gz QLFBDICVMQYHMF-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000459733120 536385990 /nfs/dbraw/zinc/38/59/90/536385990.db2.gz GJFHFTKUVIVGGQ-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP COc1ccc([C@@H](C)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435435478 536884813 /nfs/dbraw/zinc/88/48/13/536884813.db2.gz BKUGTZQBJCYADQ-GOEBONIOSA-N 2 0 276.424 2.873 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC2CC[NH+](CC)CC2)CC1 ZINC000121635376 545497579 /nfs/dbraw/zinc/49/75/79/545497579.db2.gz BHTJKBJEGPWBGF-UHFFFAOYSA-N 3 0 281.488 2.572 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC(C)C ZINC000666855322 545558977 /nfs/dbraw/zinc/55/89/77/545558977.db2.gz LYGQLJJQQUEXFC-HNNXBMFYSA-N 2 0 292.423 2.714 20 0 CFADRP COC1(C[N@@H+]2CCC[C@H](n3ccnc3)C2)CCCCC1 ZINC000682995987 574087252 /nfs/dbraw/zinc/08/72/52/574087252.db2.gz HABIOCZVAFZHGZ-HNNXBMFYSA-N 2 0 277.412 2.869 20 0 CFADRP CCCCOC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728686365 574104759 /nfs/dbraw/zinc/10/47/59/574104759.db2.gz PXUZRCSONQNPCR-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP CO[C@@](C)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396443095 574292282 /nfs/dbraw/zinc/29/22/82/574292282.db2.gz BCPLZMUDDZFADZ-YJBOKZPZSA-N 2 0 290.451 2.868 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000742367209 574324625 /nfs/dbraw/zinc/32/46/25/574324625.db2.gz KKPFZAWZTOTMLF-HOCLYGCPSA-N 2 0 276.424 2.905 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000742374782 574325514 /nfs/dbraw/zinc/32/55/14/574325514.db2.gz GVCAOSRVHJEZSK-HOCLYGCPSA-N 2 0 276.424 2.884 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396464559 574355177 /nfs/dbraw/zinc/35/51/77/574355177.db2.gz RWGFFBXXJRQPMB-LBPRGKRZSA-N 2 0 280.387 2.654 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCCCCCO)CC1 ZINC000743844418 574373619 /nfs/dbraw/zinc/37/36/19/574373619.db2.gz QZTRANXLXMBRDL-UHFFFAOYSA-N 2 0 270.461 2.734 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@]2(C)Br)C1 ZINC000893094369 618829055 /nfs/dbraw/zinc/82/90/55/618829055.db2.gz ICZQNCBIEXIHBD-WUHRBBMRSA-N 2 0 289.261 2.622 20 0 CFADRP C[C@@]1(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1(Cl)Cl ZINC000925695093 618943010 /nfs/dbraw/zinc/94/30/10/618943010.db2.gz WUMGSNXHGZRVLB-GXSJLCMTSA-N 2 0 265.228 2.691 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3cc(OC)ccc32)[C@H](C)C1 ZINC000804795693 617884369 /nfs/dbraw/zinc/88/43/69/617884369.db2.gz WVYXMRPCPNRJKC-CYBMUJFWSA-N 2 0 285.391 2.774 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158173631 618033799 /nfs/dbraw/zinc/03/37/99/618033799.db2.gz ODBPFEFUCYRVDP-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414908156 617610558 /nfs/dbraw/zinc/61/05/58/617610558.db2.gz BCKRQIUBDAKVKC-GHMZBOCLSA-N 2 0 253.415 2.626 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CC3(C[NH+](C)C)CCCC3)C2)CO1 ZINC000926170101 617627888 /nfs/dbraw/zinc/62/78/88/617627888.db2.gz IFBWKSXXKMXQSH-UQPPLGOBSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCC(C)CC1 ZINC000066242976 617681241 /nfs/dbraw/zinc/68/12/41/617681241.db2.gz RISGWNPTFZXKNG-MRXNPFEDSA-N 2 0 294.487 2.799 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000891735380 617733223 /nfs/dbraw/zinc/73/32/23/617733223.db2.gz ICRPAIZFDHAMRE-SOLBZPMBSA-N 2 0 293.499 2.665 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933737517 617765571 /nfs/dbraw/zinc/76/55/71/617765571.db2.gz QNOOYTRJZGUSCX-FXUDXRNXSA-N 2 0 250.430 2.696 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926253693 617779208 /nfs/dbraw/zinc/77/92/08/617779208.db2.gz UOXZHWGNRRHUOL-MJBXVCDLSA-N 2 0 264.413 2.822 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000891915642 617825223 /nfs/dbraw/zinc/82/52/23/617825223.db2.gz DHJDJIAAPQUDKL-GOSISDBHSA-N 2 0 288.435 2.792 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311507 617879566 /nfs/dbraw/zinc/87/95/66/617879566.db2.gz YVULNWGJFDEGEA-DOTOQJQBSA-N 2 0 282.472 2.780 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1(CC)CC ZINC000262016424 617902373 /nfs/dbraw/zinc/90/23/73/617902373.db2.gz MSHGVBLCRDPJTO-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP Nc1cc(NCCN2Cc3ccccc3C2)c(Cl)c[nH+]1 ZINC000892093991 617946821 /nfs/dbraw/zinc/94/68/21/617946821.db2.gz MYNUTQYTSHMKLB-UHFFFAOYSA-N 2 0 288.782 2.745 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2nccc3c2CCCC3)CC[N@@H+]1C ZINC000892106052 617955346 /nfs/dbraw/zinc/95/53/46/617955346.db2.gz SMROCOXOPCZMHJ-HOCLYGCPSA-N 2 0 287.451 2.875 20 0 CFADRP CCOC(=O)C1([N@H+](C)CC2CC[NH+](C)CC2)CCCCC1 ZINC000892121206 617960882 /nfs/dbraw/zinc/96/08/82/617960882.db2.gz SEZBBVBKFMJOQE-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2CCC(OC)CC2)C1 ZINC000892121951 617961087 /nfs/dbraw/zinc/96/10/87/617961087.db2.gz WHWKTLKBGJQNET-AQFXKWCLSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@@H](O)C[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000892121004 617961101 /nfs/dbraw/zinc/96/11/01/617961101.db2.gz QOSRRHRDYBFTRJ-GOSISDBHSA-N 2 0 290.451 2.601 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(CC2CCC2)c1 ZINC000934554181 618071940 /nfs/dbraw/zinc/07/19/40/618071940.db2.gz NUBXQOYOULSVPD-AWEZNQCLSA-N 2 0 278.444 2.676 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCCCC[NH3+])C1 ZINC000846219861 618097909 /nfs/dbraw/zinc/09/79/09/618097909.db2.gz ADOSSLJTUZIWRH-ZBFHGGJFSA-N 2 0 270.461 2.672 20 0 CFADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261574758 618107155 /nfs/dbraw/zinc/10/71/55/618107155.db2.gz XQSWHWGQVQBTQX-OWCLPIDISA-N 2 0 269.477 2.617 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544818 618129508 /nfs/dbraw/zinc/12/95/08/618129508.db2.gz DAHWYUIZSSXGIG-LZWOXQAQSA-N 2 0 276.424 2.685 20 0 CFADRP Cc1cc(NCc2ccccc2C[N@@H+](C)C(C)C)nc(N)[nH+]1 ZINC000052243864 618148985 /nfs/dbraw/zinc/14/89/85/618148985.db2.gz KQROVBMHCMULSJ-UHFFFAOYSA-N 2 0 299.422 2.820 20 0 CFADRP COC1CC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926154475 618193355 /nfs/dbraw/zinc/19/33/55/618193355.db2.gz HDLWCFNEDTWUNY-UWTIGNOOSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCS1 ZINC000250792532 618209936 /nfs/dbraw/zinc/20/99/36/618209936.db2.gz JYDSVARAXYVDHU-KBUPBQIOSA-N 2 0 268.470 2.782 20 0 CFADRP CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000258821550 618220922 /nfs/dbraw/zinc/22/09/22/618220922.db2.gz OVRARAFQRGJPAP-UHFFFAOYSA-N 2 0 266.360 2.584 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925573994 618255127 /nfs/dbraw/zinc/25/51/27/618255127.db2.gz QYLXLXHCEVHVFQ-FGTMMUONSA-N 2 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925575523 618257003 /nfs/dbraw/zinc/25/70/03/618257003.db2.gz VMISMMDBLYUCER-OIISXLGYSA-N 2 0 275.440 2.539 20 0 CFADRP Cc1ncoc1CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000893978026 618258799 /nfs/dbraw/zinc/25/87/99/618258799.db2.gz NBDGJFCTGHIPNM-INIZCTEOSA-N 2 0 291.439 2.927 20 0 CFADRP Cc1coc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000893984682 618264362 /nfs/dbraw/zinc/26/43/62/618264362.db2.gz SIGILJZULRYWFN-UHFFFAOYSA-N 2 0 292.423 2.522 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000925585849 618271281 /nfs/dbraw/zinc/27/12/81/618271281.db2.gz AMZRPESRAGDCMV-DLBZAZTESA-N 2 0 289.467 2.970 20 0 CFADRP CCN1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000925930463 618274300 /nfs/dbraw/zinc/27/43/00/618274300.db2.gz UKTVNPLJIBSQAA-MPGHIAIKSA-N 3 0 289.467 2.739 20 0 CFADRP CSC1CC([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000925597405 618283955 /nfs/dbraw/zinc/28/39/55/618283955.db2.gz VSJFDIUAYBSMQF-UHFFFAOYSA-N 2 0 256.459 2.590 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2Cc3ccccc3C2)C[C@@H]([NH3+])C1 ZINC000925602427 618290107 /nfs/dbraw/zinc/29/01/07/618290107.db2.gz SVRPYCKXZVOONL-SJORKVTESA-N 2 0 272.436 2.897 20 0 CFADRP CC[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+]1CCCC1 ZINC000925606295 618293068 /nfs/dbraw/zinc/29/30/68/618293068.db2.gz NAPJCOZRUNILHS-FGTMMUONSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925606447 618293995 /nfs/dbraw/zinc/29/39/95/618293995.db2.gz NXTKSYWTMFRMJK-AGIUHOORSA-N 2 0 250.386 2.706 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Nc1ccccc1 ZINC000925607954 618298107 /nfs/dbraw/zinc/29/81/07/618298107.db2.gz DXDOHWIWRDJGDG-BBWFWOEESA-N 2 0 287.451 2.983 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)co2)C1 ZINC000894064600 618301045 /nfs/dbraw/zinc/30/10/45/618301045.db2.gz XMJJZNKUAMMVMD-AWEZNQCLSA-N 2 0 250.386 2.752 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cc(C)co2)C1 ZINC000894064601 618301805 /nfs/dbraw/zinc/30/18/05/618301805.db2.gz XMJJZNKUAMMVMD-CQSZACIVSA-N 2 0 250.386 2.752 20 0 CFADRP C[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925612074 618311282 /nfs/dbraw/zinc/31/12/82/618311282.db2.gz HXEYFNDDORJACO-NXHRZFHOSA-N 2 0 293.499 2.619 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000894074550 618312171 /nfs/dbraw/zinc/31/21/71/618312171.db2.gz SFZAOXYTKKCIEN-KRWDZBQOSA-N 2 0 290.451 2.678 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)C1 ZINC000925614263 618316235 /nfs/dbraw/zinc/31/62/35/618316235.db2.gz HMKBZTDKWALEKO-OAGGEKHMSA-N 2 0 282.472 2.813 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925621697 618338814 /nfs/dbraw/zinc/33/88/14/618338814.db2.gz MDPHAHZKAJDXSZ-UKRRQHHQSA-N 2 0 281.488 2.745 20 0 CFADRP Cc1ccccc1-c1cc(CC[NH+]2CCC([NH3+])CC2)on1 ZINC000901387917 620801348 /nfs/dbraw/zinc/80/13/48/620801348.db2.gz NWJSNYOLJXHVBI-UHFFFAOYSA-N 2 0 285.391 2.616 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925624689 618347080 /nfs/dbraw/zinc/34/70/80/618347080.db2.gz AJYDDVSFYIHGAI-QWHCGFSZSA-N 2 0 258.475 2.871 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1nccs1 ZINC000235488596 618352646 /nfs/dbraw/zinc/35/26/46/618352646.db2.gz FOPBTHVZORBRDQ-HONMWMINSA-N 2 0 273.405 2.981 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925627957 618352839 /nfs/dbraw/zinc/35/28/39/618352839.db2.gz CFPQOACIFVQQCV-RHSMWYFYSA-N 2 0 288.435 2.748 20 0 CFADRP CCC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000190307945 618367056 /nfs/dbraw/zinc/36/70/56/618367056.db2.gz LGGCNPQPYLAYBF-UHFFFAOYSA-N 2 0 280.456 2.944 20 0 CFADRP CCN(CC)[C@H](CNC(=[NH2+])NCC(C)C)c1ccccc1 ZINC000052040997 618368914 /nfs/dbraw/zinc/36/89/14/618368914.db2.gz FIPKOFNRAZBMEO-MRXNPFEDSA-N 2 0 290.455 2.839 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000926672511 618391595 /nfs/dbraw/zinc/39/15/95/618391595.db2.gz NDRFBXYFJQSZPB-QGZVFWFLSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@](O)(CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925646776 618393087 /nfs/dbraw/zinc/39/30/87/618393087.db2.gz WCEPDVZKFAGRBX-RYRKJORJSA-N 2 0 290.451 2.780 20 0 CFADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(OC)cc1 ZINC000310638513 618406683 /nfs/dbraw/zinc/40/66/83/618406683.db2.gz RWCCQCBTTJOHJV-CQSZACIVSA-N 2 0 250.386 2.863 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)C1 ZINC000925660167 618419954 /nfs/dbraw/zinc/41/99/54/618419954.db2.gz PLAGGHIRZSHQQD-HOCLYGCPSA-N 2 0 287.451 2.956 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](O)c1ccccc1 ZINC000925660828 618422684 /nfs/dbraw/zinc/42/26/84/618422684.db2.gz BFBYOBDLRALOBN-HZMVEIRTSA-N 2 0 288.435 2.748 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](O)c1ccccc1 ZINC000925660831 618422731 /nfs/dbraw/zinc/42/27/31/618422731.db2.gz BFBYOBDLRALOBN-YLFCFFPRSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894180817 618430479 /nfs/dbraw/zinc/43/04/79/618430479.db2.gz QUJUZZCJXAOUSM-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@H](C)O1 ZINC000925665351 618431245 /nfs/dbraw/zinc/43/12/45/618431245.db2.gz DMYTXYTZRZYWTK-IZKTWJBDSA-N 2 0 294.483 2.946 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C12CCC2 ZINC000925680324 618459369 /nfs/dbraw/zinc/45/93/69/618459369.db2.gz QDLCJOXHAUNFMI-ZIAGYGMSSA-N 2 0 298.789 2.717 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000893357014 618465358 /nfs/dbraw/zinc/46/53/58/618465358.db2.gz OJZKMDUHSNBBII-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925683945 618471215 /nfs/dbraw/zinc/47/12/15/618471215.db2.gz BPZUDSLDWXOAIL-ZWKOTPCHSA-N 2 0 294.483 2.951 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000925684236 618474355 /nfs/dbraw/zinc/47/43/55/618474355.db2.gz FRPCNYXWLDFXNI-RYUDHWBXSA-N 2 0 260.372 2.917 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CC2(CCCCC2)O1 ZINC000895230368 618485043 /nfs/dbraw/zinc/48/50/43/618485043.db2.gz QXTOOCIKEUINQR-HNNXBMFYSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](CC[NH2+]Cc1ccc(-c2cnn(C)c2)s1)[NH+](C)C ZINC000895293762 618516488 /nfs/dbraw/zinc/51/64/88/618516488.db2.gz PTKCHCAMJDQMEW-GFCCVEGCSA-N 2 0 292.452 2.578 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000895305403 618521205 /nfs/dbraw/zinc/52/12/05/618521205.db2.gz XKHXAKFQWGVCJI-GVXVVHGQSA-N 2 0 289.261 2.622 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC000895448600 618591548 /nfs/dbraw/zinc/59/15/48/618591548.db2.gz IGPLVCXNAJZLRY-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc3C2)c2ccccc21 ZINC000262234099 618595948 /nfs/dbraw/zinc/59/59/48/618595948.db2.gz OGTDSODNKKDAQJ-IAOVAPTHSA-N 2 0 280.371 2.725 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)c2ccccc21 ZINC000236315168 618616583 /nfs/dbraw/zinc/61/65/83/618616583.db2.gz ZOPJCESBJWXZQV-MSOLQXFVSA-N 2 0 264.372 2.888 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892592206 618646578 /nfs/dbraw/zinc/64/65/78/618646578.db2.gz OMIGBOBDGBZCQM-RYTJFDOTSA-N 2 0 282.472 2.638 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926778075 618670189 /nfs/dbraw/zinc/67/01/89/618670189.db2.gz IKIGDEFIOBDMFI-QLFBSQMISA-N 2 0 268.470 2.736 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000926783866 618680383 /nfs/dbraw/zinc/68/03/83/618680383.db2.gz CAHVOAXWDSPBOH-KVDVXYDOSA-N 2 0 292.467 2.510 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cn(C)cn2)CC1 ZINC000926790727 618685230 /nfs/dbraw/zinc/68/52/30/618685230.db2.gz KYNSGSPUHMIDCN-CQSZACIVSA-N 2 0 278.444 2.581 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000926791622 618686553 /nfs/dbraw/zinc/68/65/53/618686553.db2.gz SLMXZWWOXJTHDX-HUUCEWRRSA-N 2 0 282.472 2.758 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNCc2c(C)nn(C(C)C)c2C)C1 ZINC000892669102 618687751 /nfs/dbraw/zinc/68/77/51/618687751.db2.gz VMOFLRRSZQASOA-INIZCTEOSA-N 2 0 292.471 2.902 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924585529 618692226 /nfs/dbraw/zinc/69/22/26/618692226.db2.gz AKCXPFYLZHCJHC-MAUKXSAKSA-N 2 0 288.435 2.797 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000892688185 618710257 /nfs/dbraw/zinc/71/02/57/618710257.db2.gz ZYLWVJZWYDEQFT-MSOLQXFVSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1cc(N)nc(NC2CC[NH+](C3CCCCC3)CC2)[nH+]1 ZINC000892779427 618745752 /nfs/dbraw/zinc/74/57/52/618745752.db2.gz SNOLMWGOCZCCTO-UHFFFAOYSA-N 2 0 289.427 2.576 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCSC(C)(C)C)C2 ZINC000852104610 618762874 /nfs/dbraw/zinc/76/28/74/618762874.db2.gz DELSHMUUPJZDKL-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000892936330 618772765 /nfs/dbraw/zinc/77/27/65/618772765.db2.gz FUASHVMKMHCKGJ-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000892946874 618778647 /nfs/dbraw/zinc/77/86/47/618778647.db2.gz RFLQJZVFRPYUSR-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000893094843 618829179 /nfs/dbraw/zinc/82/91/79/618829179.db2.gz QTEGWSJNTXQMBE-UONOGXRCSA-N 2 0 282.378 2.970 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C12CCC2 ZINC000925504296 618831180 /nfs/dbraw/zinc/83/11/80/618831180.db2.gz NSFMXWJNAIDLKX-HUUCEWRRSA-N 2 0 266.429 2.585 20 0 CFADRP CC(C)OCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925505391 618833711 /nfs/dbraw/zinc/83/37/11/618833711.db2.gz NTIZSGFVLWTVFN-HOTGVXAUSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccccc1OCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925508684 618841761 /nfs/dbraw/zinc/84/17/61/618841761.db2.gz IIOIXWGIFNWTDG-KGLIPLIRSA-N 2 0 292.423 2.570 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925509104 618843149 /nfs/dbraw/zinc/84/31/49/618843149.db2.gz LKMQGWSZZZZFSD-KRWDZBQOSA-N 2 0 298.434 2.609 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+]C13CCCC3)C2 ZINC000925510343 618847255 /nfs/dbraw/zinc/84/72/55/618847255.db2.gz VAWWHBKHHXOTRG-DLBZAZTESA-N 2 0 270.420 2.808 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CC[NH2+]C12CCC2)SC ZINC000925514757 618853216 /nfs/dbraw/zinc/85/32/16/618853216.db2.gz LTTLYRVGTWESNF-LBPRGKRZSA-N 2 0 256.459 2.782 20 0 CFADRP COc1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925515538 618854369 /nfs/dbraw/zinc/85/43/69/618854369.db2.gz UIAAQVPNGRKITQ-UONOGXRCSA-N 2 0 292.423 2.570 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000925523663 618864979 /nfs/dbraw/zinc/86/49/79/618864979.db2.gz NFHQEODPCZRRBD-HUUCEWRRSA-N 2 0 276.424 2.951 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925523837 618866146 /nfs/dbraw/zinc/86/61/46/618866146.db2.gz VLQHLAPLHBNYSA-GDBMZVCRSA-N 2 0 258.409 2.973 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925525341 618868917 /nfs/dbraw/zinc/86/89/17/618868917.db2.gz BUOSHQMDWRAGIZ-DLBZAZTESA-N 2 0 294.483 2.951 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925525370 618869148 /nfs/dbraw/zinc/86/91/48/618869148.db2.gz HQQWWWRIPFEIOJ-HZPDHXFCSA-N 2 0 276.424 2.829 20 0 CFADRP Cn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(C2CC2)n1 ZINC000893187328 618872343 /nfs/dbraw/zinc/87/23/43/618872343.db2.gz NYDLBTPRVPVCIM-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925526866 618873478 /nfs/dbraw/zinc/87/34/78/618873478.db2.gz KOGVWDYAIXIUKP-ZIAGYGMSSA-N 2 0 270.486 2.886 20 0 CFADRP CO[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925528131 618876768 /nfs/dbraw/zinc/87/67/68/618876768.db2.gz SVMLMJBKQASEPG-JKSUJKDBSA-N 2 0 264.413 2.727 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000925527883 618877223 /nfs/dbraw/zinc/87/72/23/618877223.db2.gz ALCXJCBELBMLNM-VBNZEHGJSA-N 2 0 295.858 2.673 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000925528661 618878318 /nfs/dbraw/zinc/87/83/18/618878318.db2.gz UQXVZOXBLMHCDE-QGZVFWFLSA-N 3 0 287.451 2.513 20 0 CFADRP CC(C)C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000925535095 618888267 /nfs/dbraw/zinc/88/82/67/618888267.db2.gz BRMJOHKAEWSKCN-UAGQMJEPSA-N 2 0 277.456 2.641 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925535841 618889048 /nfs/dbraw/zinc/88/90/48/618889048.db2.gz AHPHBDRNVFBTQH-HUUCEWRRSA-N 2 0 293.480 2.752 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925536427 618890573 /nfs/dbraw/zinc/89/05/73/618890573.db2.gz OZVYXEFPWPSMQG-YJBOKZPZSA-N 2 0 289.467 2.785 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CSCCS1)c1ccccc1 ZINC000925539642 618897656 /nfs/dbraw/zinc/89/76/56/618897656.db2.gz CIZKUCZVQZATFF-GJZGRUSLSA-N 2 0 296.505 2.905 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925549321 618910956 /nfs/dbraw/zinc/91/09/56/618910956.db2.gz XTAVNILOBRULLM-YFHUEUNASA-N 2 0 289.467 2.785 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925553193 618915604 /nfs/dbraw/zinc/91/56/04/618915604.db2.gz OKKVKXWAYDRJBB-SJORKVTESA-N 3 0 295.515 2.994 20 0 CFADRP COC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925691722 618936897 /nfs/dbraw/zinc/93/68/97/618936897.db2.gz IYUHTDGMXWPUPP-GQGLESIBSA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925692507 618937793 /nfs/dbraw/zinc/93/77/93/618937793.db2.gz LUEZEFUBDUWQIO-BRWVUGGUSA-N 2 0 287.451 2.669 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925692509 618937849 /nfs/dbraw/zinc/93/78/49/618937849.db2.gz LUEZEFUBDUWQIO-IXDOHACOSA-N 2 0 287.451 2.669 20 0 CFADRP C[N@@H+]1C[C@@]2(C)CN(CCOC3CCCCCC3)C[C@@]2(C)C1 ZINC000931312354 618938960 /nfs/dbraw/zinc/93/89/60/618938960.db2.gz WFHVVMALXSAQPP-HDICACEKSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)[C@H](C)O1 ZINC000925694173 618940850 /nfs/dbraw/zinc/94/08/50/618940850.db2.gz FDNRLUUBLSCQKF-WTTBNOFXSA-N 2 0 276.424 2.870 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc(C)n1 ZINC000925704920 618958962 /nfs/dbraw/zinc/95/89/62/618958962.db2.gz INHFPMQGMLLOPW-QZTJIDSGSA-N 2 0 287.451 2.956 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925706808 618961083 /nfs/dbraw/zinc/96/10/83/618961083.db2.gz OBAGADLKGKDTRV-XFIYOXNOSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@H]1NCCC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000925709393 618963375 /nfs/dbraw/zinc/96/33/75/618963375.db2.gz UEZXVMCLPJTLGB-CZUORRHYSA-N 2 0 269.392 2.507 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCCCO1 ZINC000925709890 618963766 /nfs/dbraw/zinc/96/37/66/618963766.db2.gz AJKHRQSEQGLUKP-LJISPDSOSA-N 2 0 268.445 2.830 20 0 CFADRP COC1CC(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925712737 618966840 /nfs/dbraw/zinc/96/68/40/618966840.db2.gz IRGNZQRMHUIVNE-BNICSPFPSA-N 2 0 280.456 2.559 20 0 CFADRP COCC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000893400441 618968256 /nfs/dbraw/zinc/96/82/56/618968256.db2.gz CZXLTGKIQQBTBK-HNNXBMFYSA-N 2 0 280.412 2.597 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925714270 618970276 /nfs/dbraw/zinc/97/02/76/618970276.db2.gz OXBCXOWDLFQZKH-RDBSUJKOSA-N 2 0 261.413 2.681 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccccc1 ZINC000931440017 618976145 /nfs/dbraw/zinc/97/61/45/618976145.db2.gz RZGRPBMLNWKTAR-HYVNUMGLSA-N 2 0 258.409 2.674 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000093210453 618990150 /nfs/dbraw/zinc/99/01/50/618990150.db2.gz DEZHIEMAAXOHKF-VXGBXAGGSA-N 2 0 270.323 2.648 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000925723584 618992470 /nfs/dbraw/zinc/99/24/70/618992470.db2.gz RKSZHTSGHRZJHA-ULQDDVLXSA-N 2 0 288.435 2.624 20 0 CFADRP C[C@@H](CC[NH2+]C1CCC(C)(O)CC1)[NH+]1CCCCC1 ZINC000893534837 619043141 /nfs/dbraw/zinc/04/31/41/619043141.db2.gz PPVTVFKYQFONHD-FHERZECASA-N 2 0 268.445 2.534 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000925734876 619044866 /nfs/dbraw/zinc/04/48/66/619044866.db2.gz CFRZSXAZVFIOAR-GDBMZVCRSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000925735589 619045222 /nfs/dbraw/zinc/04/52/22/619045222.db2.gz GVOCONVQEPKLEG-UHFFFAOYSA-N 2 0 274.408 2.932 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000925740369 619050126 /nfs/dbraw/zinc/05/01/26/619050126.db2.gz JQYORXPHUURFAQ-CHWSQXEVSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)(C)[C@H]1CC[C@@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752246 619056339 /nfs/dbraw/zinc/05/63/39/619056339.db2.gz UJLSQYFHMRYFOC-JQWIXIFHSA-N 2 0 279.453 2.785 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093861210 619062914 /nfs/dbraw/zinc/06/29/14/619062914.db2.gz NVANGUHZEAIMCB-SNVBAGLBSA-N 2 0 256.340 2.943 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925773182 619088975 /nfs/dbraw/zinc/08/89/75/619088975.db2.gz MGFJWEAXMVFYHS-VQHPVUNQSA-N 2 0 280.456 2.989 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925773179 619089141 /nfs/dbraw/zinc/08/91/41/619089141.db2.gz MGFJWEAXMVFYHS-HZMVEIRTSA-N 2 0 280.456 2.989 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCCCC1 ZINC000925777263 619098266 /nfs/dbraw/zinc/09/82/66/619098266.db2.gz LFKIFTQOKVUEJE-GFCCVEGCSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1C(C)(C)C1(C)C ZINC000925781719 619103667 /nfs/dbraw/zinc/10/36/67/619103667.db2.gz JNVAHQFNAJYHOY-GHMZBOCLSA-N 2 0 274.399 2.892 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000925782768 619105688 /nfs/dbraw/zinc/10/56/88/619105688.db2.gz MQIWWJDZQWATFS-CABCVRRESA-N 2 0 280.362 2.972 20 0 CFADRP COc1cc(C)c([C@H](C)N[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000925783901 619109085 /nfs/dbraw/zinc/10/90/85/619109085.db2.gz LQFJSNHCVWDIBR-VNHYZAJKSA-N 2 0 262.397 2.571 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(-c2ccccc2)nn1C ZINC000925786597 619111937 /nfs/dbraw/zinc/11/19/37/619111937.db2.gz PXOLPLDOCOKBQQ-YCPHGPKFSA-N 2 0 298.434 2.593 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccnc(Cl)c1 ZINC000925797472 619119585 /nfs/dbraw/zinc/11/95/85/619119585.db2.gz HMGKRRZZCWTXOM-NTZNESFSSA-N 2 0 267.804 2.631 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803440 619123707 /nfs/dbraw/zinc/12/37/07/619123707.db2.gz OLWUBVYGBIMACO-YALNPMBYSA-N 2 0 276.424 2.598 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nccc3c2CCCC3)C1 ZINC000925806904 619127041 /nfs/dbraw/zinc/12/70/41/619127041.db2.gz SBAQEOBXRYWOAO-GJZGRUSLSA-N 2 0 287.451 2.956 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccsc1 ZINC000925813615 619132179 /nfs/dbraw/zinc/13/21/79/619132179.db2.gz XRPOZQKIUQKSMF-HNNXBMFYSA-N 2 0 281.469 2.602 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814332 619132189 /nfs/dbraw/zinc/13/21/89/619132189.db2.gz KQTAEPKNNOHZTL-IAGOWNOFSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925827919 619157759 /nfs/dbraw/zinc/15/77/59/619157759.db2.gz YEAMXMUCEYQPGX-VDHUWJSZSA-N 2 0 294.483 2.950 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925829797 619160816 /nfs/dbraw/zinc/16/08/16/619160816.db2.gz DSQUNQJLPBXAJM-MRXNPFEDSA-N 2 0 294.414 2.591 20 0 CFADRP Cc1cnc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925832813 619163521 /nfs/dbraw/zinc/16/35/21/619163521.db2.gz FFGAAKOIEDKNHH-KBPBESRZSA-N 2 0 261.413 2.694 20 0 CFADRP Cc1c(Br)cccc1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000925834721 619166076 /nfs/dbraw/zinc/16/60/76/619166076.db2.gz OKTQTUTXLJOJPS-KGLIPLIRSA-N 2 0 297.240 2.769 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000925837008 619168364 /nfs/dbraw/zinc/16/83/64/619168364.db2.gz AYIBPLMQAUFZBB-GFCCVEGCSA-N 2 0 275.396 2.786 20 0 CFADRP CC[C@H]([NH2+]CCc1cccc2oc(C)nc21)[C@@H]1CCC[NH2+]1 ZINC000925838646 619170862 /nfs/dbraw/zinc/17/08/62/619170862.db2.gz MXYIGMOFYVQUPU-GJZGRUSLSA-N 2 0 287.407 2.799 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000925843062 619175799 /nfs/dbraw/zinc/17/57/99/619175799.db2.gz YWGPJMOXMDERQG-KGLIPLIRSA-N 2 0 273.380 2.538 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925843840 619175947 /nfs/dbraw/zinc/17/59/47/619175947.db2.gz UCQBVWXORSIZAB-IAOVAPTHSA-N 2 0 274.408 2.878 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261647749 619185638 /nfs/dbraw/zinc/18/56/38/619185638.db2.gz XWRUOTSYYSXKEE-INIZCTEOSA-N 2 0 262.397 2.645 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCSC3(CCC3)C2)C12CCC2 ZINC000925861437 619187944 /nfs/dbraw/zinc/18/79/44/619187944.db2.gz PTGSEIMPFKQHEY-JHJVBQTASA-N 2 0 266.454 2.664 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925861413 619188106 /nfs/dbraw/zinc/18/81/06/619188106.db2.gz PKYRAUQXLCSHME-VGVBULKLSA-N 2 0 280.481 2.910 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000235094802 619189594 /nfs/dbraw/zinc/18/95/94/619189594.db2.gz UEGASXJETONLIX-QWHCGFSZSA-N 2 0 256.459 2.912 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCCc3cccnc31)[NH2+]2 ZINC000925872015 619193175 /nfs/dbraw/zinc/19/31/75/619193175.db2.gz NITVUACYLRJGJA-MBEZOWKRSA-N 2 0 271.408 2.578 20 0 CFADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C(C)C ZINC000925874553 619195309 /nfs/dbraw/zinc/19/53/09/619195309.db2.gz SZFABINTFOVGEX-ULQDDVLXSA-N 2 0 282.472 2.663 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000925876522 619196977 /nfs/dbraw/zinc/19/69/77/619196977.db2.gz AKXAZDKASHYGMF-DMDPSCGWSA-N 2 0 250.411 2.843 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925880858 619201700 /nfs/dbraw/zinc/20/17/00/619201700.db2.gz VKRFJIBDZRAKRL-WCVJEAGWSA-N 2 0 296.455 2.606 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2c(C)ccnc2N)CC1 ZINC000893940204 619248201 /nfs/dbraw/zinc/24/82/01/619248201.db2.gz LLBQJPNZUPBCBH-UHFFFAOYSA-N 2 0 290.455 2.526 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000236989047 619276729 /nfs/dbraw/zinc/27/67/29/619276729.db2.gz MLSIKSFCUIBNAI-HOTGVXAUSA-N 2 0 297.487 2.617 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000924955863 619301364 /nfs/dbraw/zinc/30/13/64/619301364.db2.gz ROOQCQJVHLMCJC-CVEARBPZSA-N 2 0 270.461 2.638 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924956455 619301641 /nfs/dbraw/zinc/30/16/41/619301641.db2.gz WPAKPIYAUMDFHA-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924986335 619318050 /nfs/dbraw/zinc/31/80/50/619318050.db2.gz KFXCLCDFOALGOP-CJNGLKHVSA-N 2 0 262.397 2.578 20 0 CFADRP Fc1cc(F)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261943013 619337304 /nfs/dbraw/zinc/33/73/04/619337304.db2.gz DZHTTZXZAWBPSR-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925046381 619356348 /nfs/dbraw/zinc/35/63/48/619356348.db2.gz PTCQNGBFNKAFPZ-CZUORRHYSA-N 2 0 278.440 2.806 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925046380 619356387 /nfs/dbraw/zinc/35/63/87/619356387.db2.gz PTCQNGBFNKAFPZ-CJNGLKHVSA-N 2 0 278.440 2.806 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]CCCC2CCCCC2)CC1 ZINC000894377719 619357857 /nfs/dbraw/zinc/35/78/57/619357857.db2.gz FJUNTHBYWLCZSZ-UHFFFAOYSA-N 2 0 295.515 2.964 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000894455440 619390679 /nfs/dbraw/zinc/39/06/79/619390679.db2.gz KJEIKEHFVCGCDX-KGLIPLIRSA-N 2 0 258.475 2.838 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000262032123 619392213 /nfs/dbraw/zinc/39/22/13/619392213.db2.gz ODBUZJDKCRDKJC-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000894497301 619400772 /nfs/dbraw/zinc/40/07/72/619400772.db2.gz WTLICUFKYBMTDX-DZGCQCFKSA-N 2 0 278.396 2.594 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000894527307 619409691 /nfs/dbraw/zinc/40/96/91/619409691.db2.gz MNBKQRSUFHDLPB-FHERZECASA-N 2 0 270.461 2.902 20 0 CFADRP CCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)o1 ZINC000894545927 619414984 /nfs/dbraw/zinc/41/49/84/619414984.db2.gz RQTMPYRUQYKMCO-UHFFFAOYSA-N 2 0 298.452 2.595 20 0 CFADRP CC(C)[C@H]1[N@H+](CC2CC[NH+](C)CC2)CC12CCC2 ZINC000894583940 619424413 /nfs/dbraw/zinc/42/44/13/619424413.db2.gz DGGTZYQZOYJKGD-OAHLLOKOSA-N 2 0 250.430 2.839 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3nccc4c3CCCC4)C2)C1 ZINC000894624174 619431605 /nfs/dbraw/zinc/43/16/05/619431605.db2.gz UCVKPBVCOUVDGS-IBGZPJMESA-N 2 0 299.462 2.878 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3nccc4c3CCCC4)C2)C1 ZINC000894624176 619431786 /nfs/dbraw/zinc/43/17/86/619431786.db2.gz UCVKPBVCOUVDGS-LJQANCHMSA-N 2 0 299.462 2.878 20 0 CFADRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCC2)cnc1F ZINC000894626398 619432035 /nfs/dbraw/zinc/43/20/35/619432035.db2.gz RVLXPXYVKOXKJZ-UHFFFAOYSA-N 2 0 279.403 2.885 20 0 CFADRP CC1(O)CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000894626611 619432345 /nfs/dbraw/zinc/43/23/45/619432345.db2.gz YJNAVPPUJLTMQS-UHFFFAOYSA-N 2 0 268.445 2.536 20 0 CFADRP Cn1ncc(C[NH2+]CCCCC[NH+]2CCCC2)c1C1CC1 ZINC000894626641 619432489 /nfs/dbraw/zinc/43/24/89/619432489.db2.gz ZXLDCLWTIIMNJZ-UHFFFAOYSA-N 2 0 290.455 2.653 20 0 CFADRP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894706915 619448836 /nfs/dbraw/zinc/44/88/36/619448836.db2.gz ITKDSRXVPVYITI-YPMHNXCESA-N 2 0 278.362 2.991 20 0 CFADRP CCOc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)o1 ZINC000894731290 619452407 /nfs/dbraw/zinc/45/24/07/619452407.db2.gz OKLZOBYTEFFHSZ-UHFFFAOYSA-N 2 0 268.401 2.888 20 0 CFADRP Cc1nc(C[NH2+]CCCC[N@@H+](C)C2CC2)sc1C ZINC000894806452 619471027 /nfs/dbraw/zinc/47/10/27/619471027.db2.gz CDNMOJGCTACCQO-UHFFFAOYSA-N 2 0 267.442 2.724 20 0 CFADRP C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894847893 619481939 /nfs/dbraw/zinc/48/19/39/619481939.db2.gz JDYLWFRVAPBBOL-DGCLKSJQSA-N 2 0 294.196 2.597 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 ZINC000895558018 619554974 /nfs/dbraw/zinc/55/49/74/619554974.db2.gz ZBLDCQFJRGZABS-IXDOHACOSA-N 2 0 290.838 2.910 20 0 CFADRP COc1ccc2c(N[C@@H]3CC[N@H+](C)[C@@H]3C)cc[nH+]c2c1 ZINC000895741081 619594121 /nfs/dbraw/zinc/59/41/21/619594121.db2.gz YOLNJMCLBXNYJD-BXUZGUMPSA-N 2 0 271.364 2.748 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2([C@H]3CCCCO3)CCC2)CC1 ZINC000895771801 619603363 /nfs/dbraw/zinc/60/33/63/619603363.db2.gz QFNIGJGJIUGMHE-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CCn1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c(C)n1 ZINC000895823627 619615339 /nfs/dbraw/zinc/61/53/39/619615339.db2.gz SFTJVMKJAQVZRU-UHFFFAOYSA-N 2 0 278.444 2.564 20 0 CFADRP Cn1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1C1CC1 ZINC000895823991 619615439 /nfs/dbraw/zinc/61/54/39/619615439.db2.gz WEARWLJSBAQKHN-UHFFFAOYSA-N 2 0 290.455 2.650 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000896031515 619657160 /nfs/dbraw/zinc/65/71/60/619657160.db2.gz RMXDTBDNHWGXPB-DLBZAZTESA-N 2 0 276.399 2.943 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CC3CC3)CC2)[C@H](C)C1 ZINC000883252633 619659916 /nfs/dbraw/zinc/65/99/16/619659916.db2.gz QMWXLLRYXLDVPT-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CC3CC3)CC2)[C@H](C)C1 ZINC000883252634 619659974 /nfs/dbraw/zinc/65/99/74/619659974.db2.gz QMWXLLRYXLDVPT-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP OCC[C@@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000925135810 619795112 /nfs/dbraw/zinc/79/51/12/619795112.db2.gz YOEWCNZHPKGXLZ-FGTMMUONSA-N 2 0 288.435 2.717 20 0 CFADRP CCn1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(C)n1 ZINC000896950218 619903033 /nfs/dbraw/zinc/90/30/33/619903033.db2.gz DAUZIJVUCNHLRG-UHFFFAOYSA-N 2 0 290.455 2.708 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925151661 619981012 /nfs/dbraw/zinc/98/10/12/619981012.db2.gz NDEXTLGEQZNAFG-ROUUACIJSA-N 2 0 293.499 2.715 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000925217998 620028897 /nfs/dbraw/zinc/02/88/97/620028897.db2.gz ILTVWAAONROKRW-HNNXBMFYSA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229312 620049290 /nfs/dbraw/zinc/04/92/90/620049290.db2.gz MZZPXRMYCIDEHP-VXLLPVPCSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000262709249 620058937 /nfs/dbraw/zinc/05/89/37/620058937.db2.gz OTMWPCRFHGOGSF-PBHICJAKSA-N 2 0 297.487 2.521 20 0 CFADRP CCc1nc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cs1 ZINC000788022315 620126178 /nfs/dbraw/zinc/12/61/78/620126178.db2.gz CMTPGGSMKDNDKY-LLVKDONJSA-N 2 0 267.442 2.698 20 0 CFADRP C[N@@H+]1CC[C@@H](NCc2cnn(CC3CCC3)c2)CC1(C)C ZINC000897429319 620140325 /nfs/dbraw/zinc/14/03/25/620140325.db2.gz DIZXLTGKJANFCO-MRXNPFEDSA-N 2 0 290.455 2.646 20 0 CFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000897437961 620171173 /nfs/dbraw/zinc/17/11/73/620171173.db2.gz QTQVTWPSCDFSDX-UHFFFAOYSA-N 2 0 270.380 2.793 20 0 CFADRP CC[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000253078552 620219103 /nfs/dbraw/zinc/21/91/03/620219103.db2.gz TVMIEFPTTXGQPY-JALIKCBVSA-N 2 0 268.470 2.735 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nccs2)CC1 ZINC000865717132 620256933 /nfs/dbraw/zinc/25/69/33/620256933.db2.gz PYZUMKRIHGMPCR-UHFFFAOYSA-N 2 0 267.442 2.743 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4cnccc43)C[C@]2(C)C1 ZINC000897621774 620260817 /nfs/dbraw/zinc/26/08/17/620260817.db2.gz SHRUNFGPCIBGSO-AEFFLSMTSA-N 2 0 281.403 2.618 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC23CCCCC3)CC1(C)C ZINC000897726660 620274806 /nfs/dbraw/zinc/27/48/06/620274806.db2.gz BEHYXFQSXPSBNN-HUUCEWRRSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC23CCCCC3)CC1(C)C ZINC000897726662 620274896 /nfs/dbraw/zinc/27/48/96/620274896.db2.gz BEHYXFQSXPSBNN-LSDHHAIUSA-N 2 0 280.456 2.941 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)[C@H](C)C1 ZINC000897795025 620286409 /nfs/dbraw/zinc/28/64/09/620286409.db2.gz LUBNKYLONCOTRS-MCIONIFRSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000897966361 620313985 /nfs/dbraw/zinc/31/39/85/620313985.db2.gz BMWBZBUOFSKQAL-HNNXBMFYSA-N 2 0 296.418 2.666 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898010995 620316655 /nfs/dbraw/zinc/31/66/55/620316655.db2.gz LMMNVWWOCIANSY-RYKRPPSOSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(C)(C)O2)CC1(C)C ZINC000898047144 620320383 /nfs/dbraw/zinc/32/03/83/620320383.db2.gz SDNSIWGBGYRLEK-UONOGXRCSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC(C)(C)O2)CC1(C)C ZINC000898047145 620320794 /nfs/dbraw/zinc/32/07/94/620320794.db2.gz SDNSIWGBGYRLEK-ZIAGYGMSSA-N 2 0 268.445 2.797 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)O1 ZINC000898048319 620321115 /nfs/dbraw/zinc/32/11/15/620321115.db2.gz IROSUNKMMAGECS-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCS2)[C@@H](C)C1 ZINC000866478409 620408091 /nfs/dbraw/zinc/40/80/91/620408091.db2.gz ICMUAPVSUCMISY-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCCC(F)(F)F)[C@H](C)C1 ZINC000866543794 620410008 /nfs/dbraw/zinc/41/00/08/620410008.db2.gz WWYPNBIQXXPSGL-VXGBXAGGSA-N 2 0 298.418 2.992 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000841058826 620423403 /nfs/dbraw/zinc/42/34/03/620423403.db2.gz VUHITGWHUJALMK-OLZOCXBDSA-N 2 0 274.364 2.801 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926952057 620430749 /nfs/dbraw/zinc/43/07/49/620430749.db2.gz KHTWGWIDPXBAPF-CMPLNLGQSA-N 2 0 264.335 2.649 20 0 CFADRP CCO[C@H](C[NH2+][C@H](C)CCC=C(C)C)CN(C)C ZINC000926967038 620434104 /nfs/dbraw/zinc/43/41/04/620434104.db2.gz ZMNNNARFYCPEPO-HUUCEWRRSA-N 2 0 256.434 2.678 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(C)c1OC(F)F ZINC000841064967 620434285 /nfs/dbraw/zinc/43/42/85/620434285.db2.gz XJWBVKCUXDBHTO-JSGCOSHPSA-N 2 0 298.377 2.992 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000924667572 620436460 /nfs/dbraw/zinc/43/64/60/620436460.db2.gz OHUVFTIWLCMLIA-NCOADZHNSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924681068 620439530 /nfs/dbraw/zinc/43/95/30/620439530.db2.gz LEGUNFPXXPZFRD-MSOLQXFVSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000924712457 620450659 /nfs/dbraw/zinc/45/06/59/620450659.db2.gz BGLRRWWRNFXWMP-BZUAXINKSA-N 2 0 270.461 2.638 20 0 CFADRP CC[N@@H+]1CCC[C@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924749893 620521788 /nfs/dbraw/zinc/52/17/88/620521788.db2.gz QOKRYAUDMVMMQJ-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](NC(=[NH2+])NCCCCC[NH+]1CCCCC1)C1CC1 ZINC000899267520 620537642 /nfs/dbraw/zinc/53/76/42/620537642.db2.gz PUGCOGVLYMTTLE-AWEZNQCLSA-N 2 0 280.460 2.555 20 0 CFADRP C[NH+](C)Cc1ccc(F)c(-c2ccc3c(c2)C[C@H]([NH3+])C3)c1 ZINC000899323782 620544005 /nfs/dbraw/zinc/54/40/05/620544005.db2.gz IOPNOIWWZILPMB-MRXNPFEDSA-N 2 0 284.378 2.980 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3[NH2+]CC[C@@H]4CCCC[C@@H]34)n2)CCCC1 ZINC000900005435 620621675 /nfs/dbraw/zinc/62/16/75/620621675.db2.gz JDDYGXLEGJCTBV-YNEHKIRRSA-N 2 0 290.411 2.638 20 0 CFADRP CCn1cnc(C[NH2+][C@@H](C)CCC[NH+](CC)CC)c1 ZINC000902026046 620954184 /nfs/dbraw/zinc/95/41/84/620954184.db2.gz MQZDGRKLFQHXAW-AWEZNQCLSA-N 2 0 266.433 2.503 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317749 621022997 /nfs/dbraw/zinc/02/29/97/621022997.db2.gz FSIZBHGAZSMNRT-HZPDHXFCSA-N 3 0 283.504 2.865 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000902318905 621022907 /nfs/dbraw/zinc/02/29/07/621022907.db2.gz IXECHLYYUBFREI-OAHLLOKOSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H](COc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902318522 621022941 /nfs/dbraw/zinc/02/29/41/621022941.db2.gz OMSKIPQECYPIOS-ZFWWWQNUSA-N 2 0 294.414 2.961 20 0 CFADRP [NH3+]CCCC[C@@H]([NH2+]C1CC1)c1ccc(F)cc1F ZINC000902319435 621023724 /nfs/dbraw/zinc/02/37/24/621023724.db2.gz LIPUYSAJJMUHSH-CQSZACIVSA-N 2 0 254.324 2.887 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000902321346 621024106 /nfs/dbraw/zinc/02/41/06/621024106.db2.gz UUCTUWZVIRFIEB-MRXNPFEDSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902322073 621035687 /nfs/dbraw/zinc/03/56/87/621035687.db2.gz YNSKRQVEADOUHW-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326184 621036896 /nfs/dbraw/zinc/03/68/96/621036896.db2.gz BLXSAZGXBAITPL-HNNXBMFYSA-N 2 0 276.424 2.606 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902331002 621038367 /nfs/dbraw/zinc/03/83/67/621038367.db2.gz RHZDVIILRBPVNQ-IRXDYDNUSA-N 2 0 289.467 2.657 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902338124 621042412 /nfs/dbraw/zinc/04/24/12/621042412.db2.gz LHNDDQDETPMNIJ-MRXNPFEDSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO[C@@H]1C1CC1 ZINC000902373217 621045108 /nfs/dbraw/zinc/04/51/08/621045108.db2.gz BGQVOVKTCSDBMW-ZMSDIMECSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1cscc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374682 621045884 /nfs/dbraw/zinc/04/58/84/621045884.db2.gz CQEXYAHAVQEAJY-ZDUSSCGKSA-N 2 0 252.427 2.924 20 0 CFADRP C[C@](O)(CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902376057 621046386 /nfs/dbraw/zinc/04/63/86/621046386.db2.gz HPEKEQWBFIDIAF-WMZOPIPTSA-N 2 0 290.451 2.652 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902376636 621047120 /nfs/dbraw/zinc/04/71/20/621047120.db2.gz KRMQVILCRWSAJY-SLTAFYQDSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902377532 621047163 /nfs/dbraw/zinc/04/71/63/621047163.db2.gz UIRWNVYSRRGAKU-WBVHZDCISA-N 2 0 282.472 2.686 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902352931 621048859 /nfs/dbraw/zinc/04/88/59/621048859.db2.gz VKRVCDNHUGPTKS-HNNXBMFYSA-N 2 0 276.424 2.742 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCCO1 ZINC000902352772 621048971 /nfs/dbraw/zinc/04/89/71/621048971.db2.gz UBAFEVFBICXMQO-GJZGRUSLSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)C1 ZINC000902358532 621051714 /nfs/dbraw/zinc/05/17/14/621051714.db2.gz CJIWJJMXSAKQNT-CVEARBPZSA-N 2 0 282.472 2.686 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902361856 621052869 /nfs/dbraw/zinc/05/28/69/621052869.db2.gz MQEYYOBSJRXKAN-OAHLLOKOSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1(Cl)Cl ZINC000902388345 621061294 /nfs/dbraw/zinc/06/12/94/621061294.db2.gz PGAYYWPEGFTIBZ-JQWIXIFHSA-N 2 0 279.255 2.938 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902388235 621061307 /nfs/dbraw/zinc/06/13/07/621061307.db2.gz NXJKDFIKSFXYGI-SJORKVTESA-N 2 0 290.451 2.612 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccn1 ZINC000902388910 621061459 /nfs/dbraw/zinc/06/14/59/621061459.db2.gz RWBQTCCEXAXEMH-CQSZACIVSA-N 2 0 275.440 2.727 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC000902398854 621066129 /nfs/dbraw/zinc/06/61/29/621066129.db2.gz KGRHTUFJKWKEME-MNOVXSKESA-N 2 0 279.255 2.938 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000902428964 621076096 /nfs/dbraw/zinc/07/60/96/621076096.db2.gz IQJFSXNVKANAEC-RISCZKNCSA-N 2 0 282.815 2.956 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000902428977 621076151 /nfs/dbraw/zinc/07/61/51/621076151.db2.gz IUEZCYQXLVPCDI-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902429373 621076433 /nfs/dbraw/zinc/07/64/33/621076433.db2.gz JWXZCALUADGSRC-VXGBXAGGSA-N 2 0 268.788 2.708 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000902432135 621077916 /nfs/dbraw/zinc/07/79/16/621077916.db2.gz VLTQEFIRGMXTIZ-KFWWJZLASA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902447726 621089937 /nfs/dbraw/zinc/08/99/37/621089937.db2.gz VGAQOUITPCZCFC-RLAWYHOSSA-N 2 0 268.470 2.781 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902447717 621090065 /nfs/dbraw/zinc/09/00/65/621090065.db2.gz VGAQOUITPCZCFC-FUDCBSFHSA-N 2 0 268.470 2.781 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902449252 621090838 /nfs/dbraw/zinc/09/08/38/621090838.db2.gz NETVAUJRRLTMRC-OIISXLGYSA-N 2 0 293.499 2.617 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCS1 ZINC000902451054 621092054 /nfs/dbraw/zinc/09/20/54/621092054.db2.gz FBQVMUXICKSUHW-VXGBXAGGSA-N 2 0 254.443 2.535 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCS1 ZINC000902451046 621092171 /nfs/dbraw/zinc/09/21/71/621092171.db2.gz FBQVMUXICKSUHW-NWDGAFQWSA-N 2 0 254.443 2.535 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C12CCC2 ZINC000902453019 621092518 /nfs/dbraw/zinc/09/25/18/621092518.db2.gz BHMIDEXISBXFOO-UTUOFQBUSA-N 2 0 258.356 2.671 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452174 621092618 /nfs/dbraw/zinc/09/26/18/621092618.db2.gz JRCSJGMFKLYHDE-QQHRNGFRSA-N 2 0 280.362 2.928 20 0 CFADRP FC1(F)CC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000902452774 621092782 /nfs/dbraw/zinc/09/27/82/621092782.db2.gz AOZATSKDOLSGEI-ACJTYDJDSA-N 2 0 258.356 2.685 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902467609 621099754 /nfs/dbraw/zinc/09/97/54/621099754.db2.gz PMWICQZAKKMNCG-PZWNZHSQSA-N 2 0 262.319 2.590 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1OCC ZINC000902490964 621102196 /nfs/dbraw/zinc/10/21/96/621102196.db2.gz ZHZFWVQIVQXQRD-YDHLFZDLSA-N 2 0 292.423 2.872 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490773 621102359 /nfs/dbraw/zinc/10/23/59/621102359.db2.gz TZBRYQMPPKCFAO-BPUTZDHNSA-N 2 0 264.388 2.720 20 0 CFADRP Cc1ncccc1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000902512251 621108932 /nfs/dbraw/zinc/10/89/32/621108932.db2.gz HHCYUPLIBFEDGL-RHSMWYFYSA-N 2 0 275.440 2.833 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000902485412 621111447 /nfs/dbraw/zinc/11/14/47/621111447.db2.gz KMHFZYFMKRLWSI-NUTKFTJISA-N 2 0 285.366 2.637 20 0 CFADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486146 621111470 /nfs/dbraw/zinc/11/14/70/621111470.db2.gz QHRYETGTOQBETA-LUKYLMHMSA-N 2 0 288.435 2.697 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000902488085 621112677 /nfs/dbraw/zinc/11/26/77/621112677.db2.gz JRYQVUIZQMVIAO-KWBADKCTSA-N 2 0 283.213 2.837 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cnn1-c1ccccc1 ZINC000902488272 621112802 /nfs/dbraw/zinc/11/28/02/621112802.db2.gz LMAJUBITNQBLAI-QEJZJMRPSA-N 2 0 284.407 2.569 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000902489292 621112998 /nfs/dbraw/zinc/11/29/98/621112998.db2.gz OBNMGELJZDNDTE-QXEWZRGKSA-N 2 0 288.313 2.815 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CCCO2 ZINC000902488700 621113085 /nfs/dbraw/zinc/11/30/85/621113085.db2.gz MPQQDIGOOUPMKK-IIAWOOMASA-N 2 0 274.408 2.844 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CCCO2 ZINC000902488699 621113165 /nfs/dbraw/zinc/11/31/65/621113165.db2.gz MPQQDIGOOUPMKK-DZKIICNBSA-N 2 0 274.408 2.844 20 0 CFADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000902489420 621113214 /nfs/dbraw/zinc/11/32/14/621113214.db2.gz QODSYNHLNHFDND-GLXFQSAKSA-N 2 0 254.324 2.743 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000902488749 621113221 /nfs/dbraw/zinc/11/32/21/621113221.db2.gz NKNCEWKMEVVWJU-MPKXVKKWSA-N 2 0 280.799 2.881 20 0 CFADRP COc1ccc([C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000902489341 621113236 /nfs/dbraw/zinc/11/32/36/621113236.db2.gz PFONMNFNBNEOGH-NOLJZWGESA-N 2 0 262.397 2.719 20 0 CFADRP Cc1nc2ccccn2c1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902515210 621114943 /nfs/dbraw/zinc/11/49/43/621114943.db2.gz UPSNTKOTVGDWBF-JKSUJKDBSA-N 2 0 292.386 2.877 20 0 CFADRP Cl/C=C/C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902523065 621116695 /nfs/dbraw/zinc/11/66/95/621116695.db2.gz ZTTASPKMPHJDLN-MZVYLTKDSA-N 2 0 278.783 2.584 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1COc2ccccc2C1 ZINC000902721474 621157252 /nfs/dbraw/zinc/15/72/52/621157252.db2.gz YAQRMAIEPXXZLA-ZBFHGGJFSA-N 2 0 290.451 2.804 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902766370 621169326 /nfs/dbraw/zinc/16/93/26/621169326.db2.gz IWHUWXURMGQIIJ-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902766863 621169346 /nfs/dbraw/zinc/16/93/46/621169346.db2.gz TWJGNPCTLXYHNP-NNPSNHGLSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902780683 621172410 /nfs/dbraw/zinc/17/24/10/621172410.db2.gz NWFQLWVBUAWPET-YCPHGPKFSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H]([NH2+]CCN1CC=CCC1)c1cccc(-n2ccnc2)c1 ZINC000902976181 621215894 /nfs/dbraw/zinc/21/58/94/621215894.db2.gz ODFADLPUXCRUQO-INIZCTEOSA-N 2 0 296.418 2.785 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC12CCCC2)C[NH+]1CCCCC1 ZINC000903075495 621243251 /nfs/dbraw/zinc/24/32/51/621243251.db2.gz XAFYHQBOAGAIBC-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CCCn1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1 ZINC000903081982 621245843 /nfs/dbraw/zinc/24/58/43/621245843.db2.gz QFSUJVNZMJQHTG-VQCLRJIVSA-N 2 0 293.459 2.602 20 0 CFADRP COCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903084509 621246409 /nfs/dbraw/zinc/24/64/09/621246409.db2.gz ZDJWCYPUVNMJRS-VHRNVKJDSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000903068842 621249458 /nfs/dbraw/zinc/24/94/58/621249458.db2.gz NXGIIONHRHMVIX-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H](C[C@@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103923 621254103 /nfs/dbraw/zinc/25/41/03/621254103.db2.gz BMFGNCTYGCXZMC-VGWXVEKNSA-N 2 0 280.456 2.531 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCOCC1 ZINC000903104882 621254392 /nfs/dbraw/zinc/25/43/92/621254392.db2.gz NBMNCMZNDICKAW-NXCDMZCRSA-N 2 0 292.467 2.939 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000903106104 621255092 /nfs/dbraw/zinc/25/50/92/621255092.db2.gz WUYSTSMKBHXHOQ-LSDHHAIUSA-N 2 0 256.434 2.652 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000903106101 621255256 /nfs/dbraw/zinc/25/52/56/621255256.db2.gz WUYSTSMKBHXHOQ-HUUCEWRRSA-N 2 0 256.434 2.652 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000903107632 621255808 /nfs/dbraw/zinc/25/58/08/621255808.db2.gz ZSZUHARLHBFKLJ-KYHPRHEASA-N 2 0 295.515 2.673 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903107269 621256155 /nfs/dbraw/zinc/25/61/55/621256155.db2.gz PMDOHFQWRDFXAK-KFWWJZLASA-N 2 0 266.429 2.551 20 0 CFADRP CCC1(O)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903113636 621259768 /nfs/dbraw/zinc/25/97/68/621259768.db2.gz PSPODMNWLVHQAA-XSYSFNKCSA-N 2 0 292.467 2.818 20 0 CFADRP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCCCC1 ZINC000903097642 621259780 /nfs/dbraw/zinc/25/97/80/621259780.db2.gz HKNKSZKRSYYZOU-ZXFUBFMLSA-N 2 0 292.467 2.819 20 0 CFADRP COCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903154738 621269390 /nfs/dbraw/zinc/26/93/90/621269390.db2.gz WDQUVYBESANVAH-VHRNVKJDSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903164377 621271997 /nfs/dbraw/zinc/27/19/97/621271997.db2.gz LZHMVJPBAMGVBZ-ZNXRZULTSA-N 2 0 285.435 2.680 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@@H]2CCC[C@H]21 ZINC000903164764 621272241 /nfs/dbraw/zinc/27/22/41/621272241.db2.gz PMPAYUXSANMLHU-QROFKTNTSA-N 2 0 262.441 2.885 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1[NH3+] ZINC000251820136 621276202 /nfs/dbraw/zinc/27/62/02/621276202.db2.gz PEHSSOXSFGNEHK-XJKSGUPXSA-N 2 0 269.392 2.794 20 0 CFADRP CC1(C)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903182542 621277314 /nfs/dbraw/zinc/27/73/14/621277314.db2.gz DLJYUHAREXHDMN-ZBSSRIJBSA-N 2 0 292.467 2.939 20 0 CFADRP CO[C@](C)([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903185732 621279376 /nfs/dbraw/zinc/27/93/76/621279376.db2.gz LHZWDEDHZMEKTG-OETQVWQLSA-N 2 0 292.467 2.937 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000903196533 621281662 /nfs/dbraw/zinc/28/16/62/621281662.db2.gz QFWUPDQNIGNGRJ-UKRFAEJPSA-N 2 0 252.446 2.987 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903196420 621281730 /nfs/dbraw/zinc/28/17/30/621281730.db2.gz OANPUZDBVHPPAF-PNFOFYCQSA-N 2 0 285.435 2.760 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903200128 621283544 /nfs/dbraw/zinc/28/35/44/621283544.db2.gz OQTQJAPVGYIHFV-ZBSSRIJBSA-N 2 0 291.483 2.607 20 0 CFADRP C(C[C@H]1CCCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903206222 621287767 /nfs/dbraw/zinc/28/77/67/621287767.db2.gz PLWXGLQIQKBORT-ZBSSRIJBSA-N 2 0 278.440 2.551 20 0 CFADRP CC1(C)CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)OC1 ZINC000903216433 621290924 /nfs/dbraw/zinc/29/09/24/621290924.db2.gz AMENQWKYYSQGDK-YQAQFAQXSA-N 2 0 292.467 2.939 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903222281 621293346 /nfs/dbraw/zinc/29/33/46/621293346.db2.gz ZQLPSBUSPRQCRB-LRVKYRPXSA-N 2 0 292.467 2.939 20 0 CFADRP CCc1onc(C)c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903229237 621296943 /nfs/dbraw/zinc/29/69/43/621296943.db2.gz ZXDSZRWKHMTURP-LQDVMPOASA-N 2 0 289.423 2.793 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000903228571 621296995 /nfs/dbraw/zinc/29/69/95/621296995.db2.gz VPUBQEAYCBPVCH-LVDPKSTMSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000903254009 621299940 /nfs/dbraw/zinc/29/99/40/621299940.db2.gz OFOOIPJUHMCOJT-REBRKWNGSA-N 2 0 250.430 2.883 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000903253157 621300198 /nfs/dbraw/zinc/30/01/98/621300198.db2.gz JCDFUXPOEHLTCV-YZUHTNEWSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903334794 621332596 /nfs/dbraw/zinc/33/25/96/621332596.db2.gz GNTUKDGTCBJUJD-DQPZFDDXSA-N 2 0 273.424 2.995 20 0 CFADRP CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000903354360 621345775 /nfs/dbraw/zinc/34/57/75/621345775.db2.gz TYHBWANAGXTGMS-KBPBESRZSA-N 2 0 298.471 2.817 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C(C1CC1)C1CC1)c1cccnc1 ZINC000903380911 621355493 /nfs/dbraw/zinc/35/54/93/621355493.db2.gz PRJMSBOZQPECPA-INIZCTEOSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000903426949 621370241 /nfs/dbraw/zinc/37/02/41/621370241.db2.gz OEVYYFNMXQMPOK-AGIUHOORSA-N 2 0 250.411 2.741 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000903431614 621372917 /nfs/dbraw/zinc/37/29/17/621372917.db2.gz RUQDGSQPFHBCKJ-IVMMDQJWSA-N 2 0 262.372 2.818 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000903437153 621374751 /nfs/dbraw/zinc/37/47/51/621374751.db2.gz GGUCVKNPWDQIOR-NUEKZKHPSA-N 2 0 276.449 2.904 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000903439382 621375829 /nfs/dbraw/zinc/37/58/29/621375829.db2.gz IDSIPHXYOKHWDB-UTJXIGIESA-N 2 0 292.398 2.715 20 0 CFADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440486 621377115 /nfs/dbraw/zinc/37/71/15/621377115.db2.gz ZUWYWMJJJZMOLT-VDERGJSUSA-N 2 0 276.399 2.859 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000903440487 621377233 /nfs/dbraw/zinc/37/72/33/621377233.db2.gz ZUWYWMJJJZMOLT-VRKREXBASA-N 2 0 276.399 2.859 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000903459294 621380592 /nfs/dbraw/zinc/38/05/92/621380592.db2.gz STWRYAZTPFYTTI-WZRBSPASSA-N 2 0 252.789 2.846 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000903461198 621381156 /nfs/dbraw/zinc/38/11/56/621381156.db2.gz PDNSILQFPLCDKJ-WBVHZDCISA-N 2 0 273.424 2.729 20 0 CFADRP c1ccc2oc([C@H]3CCCN(C[C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000903442289 621382525 /nfs/dbraw/zinc/38/25/25/621382525.db2.gz OBGBEVPWMGFIMF-UONOGXRCSA-N 2 0 285.391 2.759 20 0 CFADRP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000903445028 621383998 /nfs/dbraw/zinc/38/39/98/621383998.db2.gz XEWPXZKKZFRYQG-MBNYWOFBSA-N 2 0 279.453 2.888 20 0 CFADRP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000903445027 621384132 /nfs/dbraw/zinc/38/41/32/621384132.db2.gz XEWPXZKKZFRYQG-DYEKYZERSA-N 2 0 279.453 2.888 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)C[C@@H]21 ZINC000903446113 621384733 /nfs/dbraw/zinc/38/47/33/621384733.db2.gz UDLXFUHWULQKEF-BTFPBAQTSA-N 2 0 284.394 2.742 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]21 ZINC000903447313 621385197 /nfs/dbraw/zinc/38/51/97/621385197.db2.gz OCPMNWOQKNZISE-HRCADAONSA-N 2 0 269.392 2.727 20 0 CFADRP CC[N@H+](CCOc1ccccc1OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903464669 621388662 /nfs/dbraw/zinc/38/86/62/621388662.db2.gz VQBGVCAQZWOPAY-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000903479027 621391076 /nfs/dbraw/zinc/39/10/76/621391076.db2.gz QHNYBPGSAVQUEH-ZJIFWQFVSA-N 2 0 292.373 2.577 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCCN(Cc2cnns2)C1)C1CCCC1 ZINC000903482270 621392495 /nfs/dbraw/zinc/39/24/95/621392495.db2.gz AAWOQRQCVAHJBO-DOMZBBRYSA-N 2 0 294.468 2.658 20 0 CFADRP C(CCC1CCOCC1)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483691 621392921 /nfs/dbraw/zinc/39/29/21/621392921.db2.gz KAZWWVNULUUQAV-MRXNPFEDSA-N 2 0 280.456 2.848 20 0 CFADRP CC(C)(C)CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507017 621395298 /nfs/dbraw/zinc/39/52/98/621395298.db2.gz JQNKCYZDUFNODG-CALCHBBNSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903717729 621424613 /nfs/dbraw/zinc/42/46/13/621424613.db2.gz UUHVHHMGPXFKFL-XQQFMLRXSA-N 2 0 296.377 2.792 20 0 CFADRP C[N@@H+](Cc1ccccc1Cl)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717784 621424864 /nfs/dbraw/zinc/42/48/64/621424864.db2.gz DJJYNNSQWLENHL-HOCLYGCPSA-N 2 0 294.826 2.540 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718225 621425508 /nfs/dbraw/zinc/42/55/08/621425508.db2.gz IVXVFGIRDRBRGV-HZPDHXFCSA-N 2 0 294.826 2.540 20 0 CFADRP CCC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718428 621425623 /nfs/dbraw/zinc/42/56/23/621425623.db2.gz MHTIFLOCDPTDFX-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903723024 621426699 /nfs/dbraw/zinc/42/66/99/621426699.db2.gz SDZJZOAIPVVCGY-HNNXBMFYSA-N 2 0 264.388 2.690 20 0 CFADRP CCCCC[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722855 621427007 /nfs/dbraw/zinc/42/70/07/621427007.db2.gz DVVANWABVJRYFO-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CCC(CC)C[N@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725151 621427375 /nfs/dbraw/zinc/42/73/75/621427375.db2.gz XIZBEBXCWRVAPJ-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1CCCCC1 ZINC000903724120 621427706 /nfs/dbraw/zinc/42/77/06/621427706.db2.gz KVWXINVIPQNVDC-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CC[N@@H+](Cc1ccccc1C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723978 621427770 /nfs/dbraw/zinc/42/77/70/621427770.db2.gz KJCAVGVUHVBHQF-QZTJIDSGSA-N 2 0 288.435 2.586 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903725414 621428327 /nfs/dbraw/zinc/42/83/27/621428327.db2.gz BKZOTDPPCLPTLS-WBVHZDCISA-N 2 0 288.435 2.874 20 0 CFADRP CCC[N@H+](C[C@H]1CCCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000903728616 621428958 /nfs/dbraw/zinc/42/89/58/621428958.db2.gz CNZJYBNAQOEXLG-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)C[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903729388 621429336 /nfs/dbraw/zinc/42/93/36/621429336.db2.gz MAYNBAJPUFWSOF-HOTGVXAUSA-N 2 0 280.456 2.513 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C2CCCC2)CC1 ZINC000903732917 621430096 /nfs/dbraw/zinc/43/00/96/621430096.db2.gz HQOVMVDISPCWGB-ROUUACIJSA-N 2 0 292.467 2.657 20 0 CFADRP FCc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903712864 621430713 /nfs/dbraw/zinc/43/07/13/621430713.db2.gz AMNVMSRYYFWRRW-UHFFFAOYSA-N 2 0 262.372 2.873 20 0 CFADRP CCC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733733 621433646 /nfs/dbraw/zinc/43/36/46/621433646.db2.gz MUOHYKKNCNFMFD-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734108 621433861 /nfs/dbraw/zinc/43/38/61/621433861.db2.gz VJPRVCFFMRAIMR-DFGXFYAUSA-N 2 0 294.483 2.950 20 0 CFADRP c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)nc1 ZINC000903736148 621434557 /nfs/dbraw/zinc/43/45/57/621434557.db2.gz HCQKBALALVILGF-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903743481 621435517 /nfs/dbraw/zinc/43/55/17/621435517.db2.gz LZZIILNABOJDTG-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760240 621436171 /nfs/dbraw/zinc/43/61/71/621436171.db2.gz WJCYKLTWWKKUQH-FGTMMUONSA-N 2 0 288.435 2.742 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903766727 621437195 /nfs/dbraw/zinc/43/71/95/621437195.db2.gz RKBRFEXXMVVDNG-FUHWJXTLSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1cc(C)nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000903765056 621437230 /nfs/dbraw/zinc/43/72/30/621437230.db2.gz XIFIRXQTXWXLIU-OAHLLOKOSA-N 2 0 273.424 2.662 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903766728 621437296 /nfs/dbraw/zinc/43/72/96/621437296.db2.gz RKBRFEXXMVVDNG-SJLPKXTDSA-N 2 0 287.451 2.587 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903767286 621437342 /nfs/dbraw/zinc/43/73/42/621437342.db2.gz VIXWKLWCFVMTDZ-NVXWUHKLSA-N 2 0 274.408 2.529 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000903791555 621439159 /nfs/dbraw/zinc/43/91/59/621439159.db2.gz ZRUDBSQPIROKDK-UHFFFAOYSA-N 2 0 288.435 2.914 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)nc1 ZINC000903793420 621439534 /nfs/dbraw/zinc/43/95/34/621439534.db2.gz SHEVZHQRBANFMS-UHFFFAOYSA-N 2 0 295.430 2.883 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[NH+]1CCC2(CCSCC2)CC1 ZINC000903774925 621439577 /nfs/dbraw/zinc/43/95/77/621439577.db2.gz CEJXUZNFVCJFFQ-OAHLLOKOSA-N 2 0 282.497 2.985 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000903778385 621439967 /nfs/dbraw/zinc/43/99/67/621439967.db2.gz MNNRSGREKHRSHA-RDJZCZTQSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903780081 621440436 /nfs/dbraw/zinc/44/04/36/621440436.db2.gz CWLWFRBMFADJHJ-CABCVRRESA-N 2 0 282.472 2.759 20 0 CFADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816547 621443263 /nfs/dbraw/zinc/44/32/63/621443263.db2.gz ZCICOVZOYILICQ-HNNXBMFYSA-N 2 0 277.412 2.775 20 0 CFADRP Cc1ncc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)s1 ZINC000903810292 621446360 /nfs/dbraw/zinc/44/63/60/621446360.db2.gz AAVIWZSTAJLHJV-AWEZNQCLSA-N 2 0 279.453 2.935 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811035 621446771 /nfs/dbraw/zinc/44/67/71/621446771.db2.gz JAEGFOSLXWQTRL-MRXNPFEDSA-N 3 0 281.488 2.879 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC[C@H]2CCCCO2)CCC1 ZINC000903811218 621447166 /nfs/dbraw/zinc/44/71/66/621447166.db2.gz JZZRDMFFXFIEPZ-CVEARBPZSA-N 2 0 280.456 2.929 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812682 621447524 /nfs/dbraw/zinc/44/75/24/621447524.db2.gz VZUVFVHLVLXNPI-INIZCTEOSA-N 2 0 273.424 2.874 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827199 621450840 /nfs/dbraw/zinc/45/08/40/621450840.db2.gz QJXGQXNJBKEZES-INIZCTEOSA-N 2 0 282.497 2.984 20 0 CFADRP C[C@H]1CSCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903830118 621451493 /nfs/dbraw/zinc/45/14/93/621451493.db2.gz SXUUPWLFDLCOSZ-ZDUSSCGKSA-N 2 0 276.449 2.660 20 0 CFADRP C[C@H]1CSCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000903829875 621451652 /nfs/dbraw/zinc/45/16/52/621451652.db2.gz NGFCFAOKZGQTIV-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000903841674 621453165 /nfs/dbraw/zinc/45/31/65/621453165.db2.gz ZMLSPGHJTOFDAP-AFHWFKKNSA-N 2 0 292.373 2.847 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000903874528 621462311 /nfs/dbraw/zinc/46/23/11/621462311.db2.gz CNFSRXQMESMLHP-YESZJQIVSA-N 2 0 280.456 2.515 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903876559 621462870 /nfs/dbraw/zinc/46/28/70/621462870.db2.gz YWCVNHCEGBGUNJ-HOTGVXAUSA-N 2 0 268.445 2.644 20 0 CFADRP CC[C@@](C)([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903898357 621467094 /nfs/dbraw/zinc/46/70/94/621467094.db2.gz KCYLCEFOMKEFOC-TZMCWYRMSA-N 2 0 256.340 2.884 20 0 CFADRP Cc1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903905241 621469553 /nfs/dbraw/zinc/46/95/53/621469553.db2.gz BNEOUHXIUNAUTR-AYHJJNSGSA-N 2 0 299.462 2.648 20 0 CFADRP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908576 621471051 /nfs/dbraw/zinc/47/10/51/621471051.db2.gz LCJDQBLWPNYHHS-LHCMDFTLSA-N 2 0 285.435 2.995 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919339 621472781 /nfs/dbraw/zinc/47/27/81/621472781.db2.gz MLIHHLZCKKWFEP-QKABRSEGSA-N 2 0 285.435 2.766 20 0 CFADRP Cc1ccccc1CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903920077 621473139 /nfs/dbraw/zinc/47/31/39/621473139.db2.gz HCKVEGPTSPBSKQ-ZXFUBFMLSA-N 2 0 258.409 2.658 20 0 CFADRP COCc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000903923080 621474036 /nfs/dbraw/zinc/47/40/36/621474036.db2.gz KRJBXLBVJIWZCV-VHRNVKJDSA-N 2 0 292.398 2.592 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903923449 621474313 /nfs/dbraw/zinc/47/43/13/621474313.db2.gz UQIYUAJNNUPLJA-CSNJMZFVSA-N 2 0 299.462 2.633 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932719 621476564 /nfs/dbraw/zinc/47/65/64/621476564.db2.gz FYCJSJRGXAJXFK-FUCXHRTASA-N 2 0 286.419 2.584 20 0 CFADRP CC[N@H+](CCCNC[C@@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000903933084 621476625 /nfs/dbraw/zinc/47/66/25/621476625.db2.gz YIJXDWOTMKXHDG-ZDUSSCGKSA-N 2 0 291.430 2.603 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccn1 ZINC000903933432 621477390 /nfs/dbraw/zinc/47/73/90/621477390.db2.gz RFZFZKRLLXACAK-CQSZACIVSA-N 2 0 281.403 2.621 20 0 CFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939085 621477833 /nfs/dbraw/zinc/47/78/33/621477833.db2.gz CQBZBHZJCJIQST-UHFFFAOYSA-N 2 0 290.386 2.537 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000903938441 621478303 /nfs/dbraw/zinc/47/83/03/621478303.db2.gz AXGOHIWZAYOPFZ-UHFFFAOYSA-N 2 0 262.397 2.617 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000903938731 621478306 /nfs/dbraw/zinc/47/83/06/621478306.db2.gz ILSBLXADTJXPMV-UHFFFAOYSA-N 2 0 261.344 2.591 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957353 621478915 /nfs/dbraw/zinc/47/89/15/621478915.db2.gz PZTXARFXUKPDAV-DGCLKSJQSA-N 2 0 288.407 2.904 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000903958163 621479627 /nfs/dbraw/zinc/47/96/27/621479627.db2.gz WIHZCWJCFLCYMS-YPMHNXCESA-N 2 0 286.341 2.764 20 0 CFADRP COCC[N@H+](Cc1ccc(C)c(C)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000903959720 621480627 /nfs/dbraw/zinc/48/06/27/621480627.db2.gz MZEGTCDGIMRXSB-SFHVURJKSA-N 2 0 290.451 2.751 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939568 621481795 /nfs/dbraw/zinc/48/17/95/621481795.db2.gz JIVSOZJWGWUXGI-LLVKDONJSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2c3ccccc3CC[C@H]2F)CC[NH2+]1 ZINC000903948341 621485818 /nfs/dbraw/zinc/48/58/18/621485818.db2.gz OAGLZQUCEUYIIF-KFZJALRRSA-N 2 0 276.399 2.990 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1C ZINC000903955683 621490076 /nfs/dbraw/zinc/49/00/76/621490076.db2.gz AGHXFUDMWZLBTJ-NDBYEHHHSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955923 621490093 /nfs/dbraw/zinc/49/00/93/621490093.db2.gz CEBNRNKNPZXCII-FRRDWIJNSA-N 2 0 260.372 2.647 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955925 621490479 /nfs/dbraw/zinc/49/04/79/621490479.db2.gz CEBNRNKNPZXCII-UPJWGTAASA-N 2 0 260.372 2.647 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000903956408 621490896 /nfs/dbraw/zinc/49/08/96/621490896.db2.gz LBKXZPQNPGIJNJ-DGCLKSJQSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956215 621491121 /nfs/dbraw/zinc/49/11/21/621491121.db2.gz IZORGRVEDLOGOA-HIFRSBDPSA-N 2 0 282.378 2.760 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000903974177 621492477 /nfs/dbraw/zinc/49/24/77/621492477.db2.gz KZCPCHYWWOYURZ-VXGBXAGGSA-N 2 0 281.469 2.776 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nccc3ccccc32)C[C@H]1CC[NH3+] ZINC000903976840 621493546 /nfs/dbraw/zinc/49/35/46/621493546.db2.gz DECMJHKFVZCQEL-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1CC[NH3+] ZINC000903976877 621493609 /nfs/dbraw/zinc/49/36/09/621493609.db2.gz GHTLZKAVHVOXIO-VXGBXAGGSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(Cl)cc1F ZINC000903978900 621494456 /nfs/dbraw/zinc/49/44/56/621494456.db2.gz OLSKCXJBSRMPQV-GHMZBOCLSA-N 2 0 270.779 2.814 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000903979195 621494903 /nfs/dbraw/zinc/49/49/03/621494903.db2.gz YFRMHBRJOALRCI-FVCCEPFGSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967988 621496263 /nfs/dbraw/zinc/49/62/63/621496263.db2.gz OGIPNAGYAYGDAE-DYEKYZERSA-N 2 0 266.816 2.716 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903966753 621496309 /nfs/dbraw/zinc/49/63/09/621496309.db2.gz BDWIFNTXFQVYAU-PVAVHDDUSA-N 2 0 260.425 2.871 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986933 621498933 /nfs/dbraw/zinc/49/89/33/621498933.db2.gz TZMZMSYIOMZYFD-RZZCCWGQSA-N 3 0 293.499 2.904 20 0 CFADRP C[NH2+][C@@H](CC(C)C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904116572 621525892 /nfs/dbraw/zinc/52/58/92/621525892.db2.gz KGXRYPGBJQTTIB-ZDUSSCGKSA-N 2 0 285.351 2.691 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)[C@H]1CCCO1 ZINC000904362580 621583246 /nfs/dbraw/zinc/58/32/46/621583246.db2.gz OLWRTIUHDXGLJE-MELADBBJSA-N 2 0 256.434 2.687 20 0 CFADRP CC[N@@H+](Cc1c(F)cccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315874 621567367 /nfs/dbraw/zinc/56/73/67/621567367.db2.gz FXONWRBCNWLFBI-PHIMTYICSA-N 2 0 254.324 2.524 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000904299724 621568439 /nfs/dbraw/zinc/56/84/39/621568439.db2.gz MQJPAQZGILVZQD-JKSUJKDBSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC([NH2+]CC2CC2)CC1 ZINC000904301516 621568920 /nfs/dbraw/zinc/56/89/20/621568920.db2.gz MRYCZHGIKYPJMF-OAHLLOKOSA-N 2 0 281.488 2.604 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000904305397 621569590 /nfs/dbraw/zinc/56/95/90/621569590.db2.gz MYWOKZFGCJFENY-CFVMTHIKSA-N 2 0 290.407 2.578 20 0 CFADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904305054 621569653 /nfs/dbraw/zinc/56/96/53/621569653.db2.gz BWYQGIFCYIVQNY-UKPHBRMFSA-N 2 0 274.408 2.960 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310116 621570823 /nfs/dbraw/zinc/57/08/23/621570823.db2.gz WJRKMBGOHDZHTK-OTVXOJSOSA-N 2 0 250.361 2.775 20 0 CFADRP Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312674 621570845 /nfs/dbraw/zinc/57/08/45/621570845.db2.gz MXGKCIROORYBOJ-VBQJREDUSA-N 2 0 298.434 2.838 20 0 CFADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904316303 621572310 /nfs/dbraw/zinc/57/23/10/621572310.db2.gz KOWVVFKDMVFCNM-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904320992 621573372 /nfs/dbraw/zinc/57/33/72/621573372.db2.gz SSPGVXFHTXZREP-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000904320583 621573477 /nfs/dbraw/zinc/57/34/77/621573477.db2.gz LTUAJNFQPIXHMV-IFUGULHKSA-N 2 0 266.335 2.839 20 0 CFADRP CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322268 621573962 /nfs/dbraw/zinc/57/39/62/621573962.db2.gz UOIIGWJXKWATRC-XKQJLSEDSA-N 2 0 294.414 2.554 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322943 621574051 /nfs/dbraw/zinc/57/40/51/621574051.db2.gz KSPCEYFDUQEHKI-CAOSSQGBSA-N 2 0 258.409 2.910 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]([NH3+])CCC(C)(C)C)[C@@H](C)C1 ZINC000904323134 621575037 /nfs/dbraw/zinc/57/50/37/621575037.db2.gz NBVCMEDBQMHZOG-XHSDSOJGSA-N 2 0 283.504 2.802 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccccc3F)CC2)C1 ZINC000904323694 621575050 /nfs/dbraw/zinc/57/50/50/621575050.db2.gz QWOHDFRMSJYPCD-XBXGTLAGSA-N 2 0 262.372 2.742 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904324123 621575711 /nfs/dbraw/zinc/57/57/11/621575711.db2.gz VNZUWZCYSLOXDF-NFFDBFGFSA-N 2 0 262.372 2.946 20 0 CFADRP CC(C)C1CCC([NH+]2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000904326632 621576207 /nfs/dbraw/zinc/57/62/07/621576207.db2.gz OGJYTEOMAPTBAV-OBMPSLJJSA-N 2 0 293.499 2.556 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)C1 ZINC000904332125 621576764 /nfs/dbraw/zinc/57/67/64/621576764.db2.gz NLTHUUCEDMUKDN-OAGGEKHMSA-N 2 0 250.430 2.888 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C12CCC2 ZINC000904328702 621577123 /nfs/dbraw/zinc/57/71/23/621577123.db2.gz RHSLMWFPDQHQFN-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CCC[NH2+]C1 ZINC000904335685 621577343 /nfs/dbraw/zinc/57/73/43/621577343.db2.gz JLDZQTGRSRVDGP-DLBZAZTESA-N 2 0 274.408 2.919 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(Cc3ccccc3)CCCC2)C1 ZINC000904332951 621577525 /nfs/dbraw/zinc/57/75/25/621577525.db2.gz UZPHKTISBXTMMV-IYBDPMFKSA-N 2 0 258.409 2.869 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1C ZINC000904340912 621578193 /nfs/dbraw/zinc/57/81/93/621578193.db2.gz NUIXNXAPOBIHRN-OAGGEKHMSA-N 2 0 283.504 2.945 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000904346592 621579504 /nfs/dbraw/zinc/57/95/04/621579504.db2.gz UTRQFJSCTBOAEK-NKKGCODLSA-N 2 0 292.398 2.715 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904354624 621581862 /nfs/dbraw/zinc/58/18/62/621581862.db2.gz HVXGXBSBZHAGNN-KOLCDFICSA-N 2 0 272.314 2.980 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1Br ZINC000904355241 621581944 /nfs/dbraw/zinc/58/19/44/621581944.db2.gz OPNNKEXJLZTJLQ-WCQYABFASA-N 2 0 297.240 2.975 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCc3cc(N)ccc32)CCC[NH2+]C1 ZINC000904356704 621582230 /nfs/dbraw/zinc/58/22/30/621582230.db2.gz YAAONKCIFJQJDE-IRXDYDNUSA-N 2 0 273.424 2.626 20 0 CFADRP C[C@@H](Cc1ccccc1Br)[NH2+]C1CC(C[NH3+])C1 ZINC000904359655 621582403 /nfs/dbraw/zinc/58/24/03/621582403.db2.gz RIYKKYLZTIKFJC-ZBOXLXRLSA-N 2 0 297.240 2.707 20 0 CFADRP Cc1cccc(C[NH2+]C2CC(C[NH3+])C2)c1Br ZINC000904368980 621584184 /nfs/dbraw/zinc/58/41/84/621584184.db2.gz PBMGTNKBZQZGOY-UHFFFAOYSA-N 2 0 283.213 2.584 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000904368126 621584234 /nfs/dbraw/zinc/58/42/34/621584234.db2.gz IHJRJKIKLBFAGF-GMXVVIOVSA-N 2 0 278.400 2.505 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904373989 621584686 /nfs/dbraw/zinc/58/46/86/621584686.db2.gz XFWVZDXSZNBJSE-NFOMZHRRSA-N 2 0 269.477 2.602 20 0 CFADRP [NH3+]CC1CC([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000904363121 621585267 /nfs/dbraw/zinc/58/52/67/621585267.db2.gz BJZREYVKMFJARM-UHFFFAOYSA-N 2 0 273.207 2.863 20 0 CFADRP CSc1cc(C)ccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904363613 621585459 /nfs/dbraw/zinc/58/54/59/621585459.db2.gz KPSGPOMYXYYUER-BJHJDKERSA-N 2 0 250.411 2.544 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904365102 621585818 /nfs/dbraw/zinc/58/58/18/621585818.db2.gz VVDKRGHGVQYORC-QGZVFWFLSA-N 2 0 260.425 2.825 20 0 CFADRP C[C@]1(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)CCC[NH2+]C1 ZINC000904388378 621586088 /nfs/dbraw/zinc/58/60/88/621586088.db2.gz IEJSHVNYSPYLLV-SQNIBIBYSA-N 2 0 270.420 2.650 20 0 CFADRP [NH3+]CC1CC([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000904366346 621586140 /nfs/dbraw/zinc/58/61/40/621586140.db2.gz IJKHFHMQFXHLNQ-WIQPZXRYSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000904392982 621587133 /nfs/dbraw/zinc/58/71/33/621587133.db2.gz FZKAEKSLLBUTND-NVXWUHKLSA-N 2 0 288.435 2.620 20 0 CFADRP COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904375498 621587262 /nfs/dbraw/zinc/58/72/62/621587262.db2.gz AXJMXJJUYCWVJK-IXDOHACOSA-N 2 0 288.435 2.830 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000904384390 621588337 /nfs/dbraw/zinc/58/83/37/621588337.db2.gz KHWAZIBQFWOGKF-KRWDZBQOSA-N 3 0 287.451 2.547 20 0 CFADRP CCC1([NH+](C)C)CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904384746 621588834 /nfs/dbraw/zinc/58/88/34/621588834.db2.gz NBLKEARJFCSCPO-HNNXBMFYSA-N 2 0 283.504 2.946 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405100 621590276 /nfs/dbraw/zinc/59/02/76/621590276.db2.gz CZYYOKQGVYCLRH-DOTOQJQBSA-N 2 0 260.425 2.926 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000904406384 621591007 /nfs/dbraw/zinc/59/10/07/621591007.db2.gz RTHFVMUWOKLXEF-LLVKDONJSA-N 2 0 265.426 2.581 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410175 621591771 /nfs/dbraw/zinc/59/17/71/621591771.db2.gz CWKQAUJHRWKMIP-QWHCGFSZSA-N 2 0 281.469 2.758 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410643 621591894 /nfs/dbraw/zinc/59/18/94/621591894.db2.gz QHEONBURVQNFKJ-JSGCOSHPSA-N 2 0 264.388 2.805 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410686 621591925 /nfs/dbraw/zinc/59/19/25/621591925.db2.gz FLQBNPLBEDUAIP-QAOXIVLQSA-N 2 0 274.408 2.625 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410173 621591971 /nfs/dbraw/zinc/59/19/71/621591971.db2.gz CWKQAUJHRWKMIP-CHWSQXEVSA-N 2 0 281.469 2.758 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411549 621592646 /nfs/dbraw/zinc/59/26/46/621592646.db2.gz MEYBCGCIRVLPNP-KBPBESRZSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@@H]1C[NH3+] ZINC000904412701 621593290 /nfs/dbraw/zinc/59/32/90/621593290.db2.gz XZJGNJSGZAMGDZ-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412442 621593489 /nfs/dbraw/zinc/59/34/89/621593489.db2.gz SMQITYAXNDAWHJ-GOEBONIOSA-N 2 0 298.434 2.802 20 0 CFADRP c1c2ccccc2sc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420819 621596483 /nfs/dbraw/zinc/59/64/83/621596483.db2.gz HFFUUHUJZQHVRX-UONOGXRCSA-N 2 0 272.417 2.943 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904421185 621596965 /nfs/dbraw/zinc/59/69/65/621596965.db2.gz RSAARBYDFZCUPZ-DLBZAZTESA-N 2 0 288.435 2.763 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000904442648 621598668 /nfs/dbraw/zinc/59/86/68/621598668.db2.gz DWFPCCFOPCULCN-XJKCOSOUSA-N 2 0 274.408 2.803 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C(C)(C)C[NH3+])CC2)CCO1 ZINC000904445117 621599577 /nfs/dbraw/zinc/59/95/77/621599577.db2.gz WBPUEMIGPOHEOC-GDBMZVCRSA-N 2 0 282.472 2.889 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000904469864 621601118 /nfs/dbraw/zinc/60/11/18/621601118.db2.gz PWBUEVQVZWSODB-IKGGRYGDSA-N 2 0 287.451 2.585 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000905054221 621686825 /nfs/dbraw/zinc/68/68/25/621686825.db2.gz GLHMLDOEXSYFJM-SJLPKXTDSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000905134386 621707836 /nfs/dbraw/zinc/70/78/36/621707836.db2.gz UMICZQPODFOVAW-ZBFHGGJFSA-N 2 0 278.440 2.594 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000905137381 621708688 /nfs/dbraw/zinc/70/86/88/621708688.db2.gz MMSJZNAOPXBALS-FBVQUNGASA-N 2 0 288.435 2.633 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000905278062 621736866 /nfs/dbraw/zinc/73/68/66/621736866.db2.gz BHFWOBXCCHZHAB-GOSISDBHSA-N 2 0 288.435 2.635 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000905405573 621759973 /nfs/dbraw/zinc/75/99/73/621759973.db2.gz UPSVRQXWWRJJOO-LXPRWKDFSA-N 2 0 290.451 2.881 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000906510152 621995057 /nfs/dbraw/zinc/99/50/57/621995057.db2.gz OARJJMHUZZKAEE-UHFFFAOYSA-N 2 0 260.381 2.587 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000906510553 621995740 /nfs/dbraw/zinc/99/57/40/621995740.db2.gz LNEXQDWHGAKHPP-UHFFFAOYSA-N 2 0 289.604 2.682 20 0 CFADRP CCCN1Cc2cccc(NC(=O)CCCCC[NH3+])c2C1 ZINC000155599462 622304956 /nfs/dbraw/zinc/30/49/56/622304956.db2.gz ZFDQAANYXIWJLY-UHFFFAOYSA-N 2 0 289.423 2.870 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809576 622761803 /nfs/dbraw/zinc/76/18/03/622761803.db2.gz DIKXPEQYOMHSJK-RDJZCZTQSA-N 3 0 289.467 2.741 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809577 622762166 /nfs/dbraw/zinc/76/21/66/622762166.db2.gz DIKXPEQYOMHSJK-WBVHZDCISA-N 3 0 289.467 2.741 20 0 CFADRP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000820811668 622763362 /nfs/dbraw/zinc/76/33/62/622763362.db2.gz UKRWYRYHDIYDNV-KBPBESRZSA-N 2 0 286.423 2.894 20 0 CFADRP c1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CO2 ZINC000820813801 622764568 /nfs/dbraw/zinc/76/45/68/622764568.db2.gz BZANFMNISNCTMA-PDOIAVGCSA-N 2 0 298.430 2.738 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCO1 ZINC000820829622 622769117 /nfs/dbraw/zinc/76/91/17/622769117.db2.gz KPFPKHVPECBOHT-SXLMRFEMSA-N 2 0 278.440 2.691 20 0 CFADRP C[C@@H]([NH2+]CCCCn1ccnc1)c1ccc2c(c1)CCO2 ZINC000045106327 622965089 /nfs/dbraw/zinc/96/50/89/622965089.db2.gz DGHAVQOEEQDVRQ-CQSZACIVSA-N 2 0 285.391 2.949 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165075168 622980458 /nfs/dbraw/zinc/98/04/58/622980458.db2.gz JTLZEKJCSPETKL-UKRRQHHQSA-N 2 0 269.392 2.794 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000056522043 622983018 /nfs/dbraw/zinc/98/30/18/622983018.db2.gz CMTZLKFLDLRQDX-KRWDZBQOSA-N 2 0 294.414 2.523 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000157413249 623032167 /nfs/dbraw/zinc/03/21/67/623032167.db2.gz CPJVSGXFNUWYIL-XOKHGSTOSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538288 623111809 /nfs/dbraw/zinc/11/18/09/623111809.db2.gz GNUDBPCBKOMHKE-KBRIMQKVSA-N 2 0 273.424 2.595 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@H]21 ZINC000228471434 623144764 /nfs/dbraw/zinc/14/47/64/623144764.db2.gz FXHFXYITWXWUCX-APHBMKBZSA-N 2 0 294.826 2.778 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000060942147 623167439 /nfs/dbraw/zinc/16/74/39/623167439.db2.gz AVYWVOGJLNFPRA-CYBMUJFWSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000062050393 623244796 /nfs/dbraw/zinc/24/47/96/623244796.db2.gz FSCILTDPTXODRZ-ZDUSSCGKSA-N 2 0 264.388 2.688 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062708574 623289608 /nfs/dbraw/zinc/28/96/08/623289608.db2.gz HHHPXFAVRVXFHL-UHFFFAOYSA-N 2 0 272.314 2.535 20 0 CFADRP Clc1ncccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200525 623332378 /nfs/dbraw/zinc/33/23/78/623332378.db2.gz KUYYCAGRKSVQOT-AWEZNQCLSA-N 2 0 279.815 2.699 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000063197662 623332613 /nfs/dbraw/zinc/33/26/13/623332613.db2.gz FALCDODXSNQXEK-INIZCTEOSA-N 2 0 280.362 2.929 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCSC(F)(F)F)c2ccccc21 ZINC000231939863 623376233 /nfs/dbraw/zinc/37/62/33/623376233.db2.gz DFFATMGBQHAHCF-WDEREUQCSA-N 2 0 276.327 2.974 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000823841653 623403721 /nfs/dbraw/zinc/40/37/21/623403721.db2.gz HSBMFXMNSPBWII-HUUCEWRRSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](C)O1 ZINC000823966556 623426974 /nfs/dbraw/zinc/42/69/74/623426974.db2.gz UHAATVRSTXDDIN-AXRJEEMOSA-N 2 0 280.456 2.939 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000232548646 623427149 /nfs/dbraw/zinc/42/71/49/623427149.db2.gz AOWNFRIPCCBDFK-QLFBSQMISA-N 2 0 250.430 2.933 20 0 CFADRP CC1CC(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000929429319 623435740 /nfs/dbraw/zinc/43/57/40/623435740.db2.gz ZJQAXUGFFFXNGW-QLOLRVAOSA-N 2 0 293.499 2.523 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000929637025 623497898 /nfs/dbraw/zinc/49/78/98/623497898.db2.gz ALLFFMVJHVWQGZ-GYTBAZASSA-N 2 0 250.430 2.696 20 0 CFADRP C1CC1[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000825325138 623672421 /nfs/dbraw/zinc/67/24/21/623672421.db2.gz BFCRAOHSQSLWCS-GPQLOAJWSA-N 2 0 292.467 2.941 20 0 CFADRP COC/C(C)=C\C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000930147781 624119962 /nfs/dbraw/zinc/11/99/62/624119962.db2.gz XEPPYOCCLNXQFD-CHHVJCJISA-N 2 0 268.445 2.633 20 0 CFADRP Cc1cnccc1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000828457523 624250180 /nfs/dbraw/zinc/25/01/80/624250180.db2.gz TULZXTUAVVMSHU-UHFFFAOYSA-N 2 0 287.451 2.740 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000930060898 624531709 /nfs/dbraw/zinc/53/17/09/624531709.db2.gz NPNIJNKBDVDJJV-SOLBZPMBSA-N 2 0 294.483 2.854 20 0 CFADRP c1cc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)sn1 ZINC000930061649 624534589 /nfs/dbraw/zinc/53/45/89/624534589.db2.gz UNSYNIMFIUCFIK-CJNGLKHVSA-N 2 0 291.464 2.634 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000830029320 624605196 /nfs/dbraw/zinc/60/51/96/624605196.db2.gz YLNVIPLLXSNUFM-ZWKOTPCHSA-N 2 0 293.499 2.667 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925474997 624652445 /nfs/dbraw/zinc/65/24/45/624652445.db2.gz BBVWLFUBGYCNBC-IAGOWNOFSA-N 2 0 278.440 2.853 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925480054 624719969 /nfs/dbraw/zinc/71/99/69/624719969.db2.gz ULXQSTYDVRZFGZ-UONOGXRCSA-N 2 0 294.414 2.872 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000253192337 625250003 /nfs/dbraw/zinc/25/00/03/625250003.db2.gz NCQVQJDFXTXDMW-DZGCQCFKSA-N 2 0 269.392 2.652 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070149574 625274060 /nfs/dbraw/zinc/27/40/60/625274060.db2.gz QFDYLEITJOPYBW-HNNXBMFYSA-N 2 0 292.423 2.667 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768705292 625902171 /nfs/dbraw/zinc/90/21/71/625902171.db2.gz GFDHPJUZNVCJNX-IYXRBSQSSA-N 2 0 274.399 2.988 20 0 CFADRP CCCCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817898618 625961709 /nfs/dbraw/zinc/96/17/09/625961709.db2.gz JYQZGSXLTSVAKI-SOUVJXGZSA-N 2 0 270.461 2.935 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921517676 625967240 /nfs/dbraw/zinc/96/72/40/625967240.db2.gz DWMFJMPUTNOUDE-XYJFISCASA-N 2 0 294.483 2.902 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000921522193 625972967 /nfs/dbraw/zinc/97/29/67/625972967.db2.gz OISUGBQLZXRAIG-KGLIPLIRSA-N 2 0 258.475 2.981 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000921527449 625978274 /nfs/dbraw/zinc/97/82/74/625978274.db2.gz NJGZUNYTZUIDCU-KCQAQPDRSA-N 2 0 268.470 2.735 20 0 CFADRP COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000921537629 625979965 /nfs/dbraw/zinc/97/99/65/625979965.db2.gz NIIHWSBSGXKVIU-DLBZAZTESA-N 2 0 274.408 2.720 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921559667 625988983 /nfs/dbraw/zinc/98/89/83/625988983.db2.gz XVAVXYQAFHVLIJ-NUJGCVRESA-N 2 0 292.467 2.656 20 0 CFADRP Cc1cnc(Cl)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000921978783 626190126 /nfs/dbraw/zinc/19/01/26/626190126.db2.gz YRQZUCRRYYMUBC-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CC1 ZINC000922172087 626230421 /nfs/dbraw/zinc/23/04/21/626230421.db2.gz QADAMHBRVSRMFS-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000840738519 626231078 /nfs/dbraw/zinc/23/10/78/626231078.db2.gz DSIRNBLAWFEGSJ-SFHVURJKSA-N 2 0 288.435 2.533 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)ccc12 ZINC000922178668 626231899 /nfs/dbraw/zinc/23/18/99/626231899.db2.gz QNFOVFCSUGLSEZ-OWCLPIDISA-N 2 0 285.391 2.629 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCCS1)C1CC[NH+](C)CC1 ZINC000158020865 626257249 /nfs/dbraw/zinc/25/72/49/626257249.db2.gz IZCONSSGEYGHDC-TZMCWYRMSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCC1)C2 ZINC000922388104 626282581 /nfs/dbraw/zinc/28/25/81/626282581.db2.gz OIGBOHRVJSQGHN-TVFCKZIOSA-N 2 0 294.483 2.636 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(F)CC2)CC1 ZINC000922503876 626299421 /nfs/dbraw/zinc/29/94/21/626299421.db2.gz LLTNKYFMHDUQHC-UHFFFAOYSA-N 2 0 254.393 2.875 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCS1 ZINC000922836837 626376270 /nfs/dbraw/zinc/37/62/70/626376270.db2.gz DSSSUDMIFMODBY-QWHCGFSZSA-N 2 0 288.420 2.641 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922844241 626378692 /nfs/dbraw/zinc/37/86/92/626378692.db2.gz ADPAYXURUKCUSU-CIDNJEQPSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CO1 ZINC000922846545 626379695 /nfs/dbraw/zinc/37/96/95/626379695.db2.gz MTEHNZYAWPFGRN-FYRZTWFESA-N 2 0 266.429 2.551 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000922847734 626380109 /nfs/dbraw/zinc/38/01/09/626380109.db2.gz WFARCNPEOCCPCS-UHFFFAOYSA-N 2 0 298.434 2.831 20 0 CFADRP COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)sn1 ZINC000922844604 626380506 /nfs/dbraw/zinc/38/05/06/626380506.db2.gz GKBLSNSPLLSWOM-UHFFFAOYSA-N 2 0 295.452 2.648 20 0 CFADRP Cc1cnc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922844835 626380736 /nfs/dbraw/zinc/38/07/36/626380736.db2.gz IAMNGFXHMAYXNG-UHFFFAOYSA-N 2 0 279.453 2.948 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000923296138 626463797 /nfs/dbraw/zinc/46/37/97/626463797.db2.gz CZPBRJSURTUJBT-UHFFFAOYSA-N 2 0 280.456 2.787 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308049 626464379 /nfs/dbraw/zinc/46/43/79/626464379.db2.gz ZKOHDIUVKFKHPG-IRXDYDNUSA-N 2 0 288.435 2.838 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302987 626464406 /nfs/dbraw/zinc/46/44/06/626464406.db2.gz GIITUMJCABJPIS-OAHLLOKOSA-N 2 0 294.826 2.540 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923316063 626465140 /nfs/dbraw/zinc/46/51/40/626465140.db2.gz POIFAVHRCJMGBB-IFFAKLHKSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc(C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C(C)C)s1 ZINC000923309127 626465464 /nfs/dbraw/zinc/46/54/64/626465464.db2.gz RWULDNHNBQPMGD-CQSZACIVSA-N 2 0 294.464 2.645 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923324407 626466515 /nfs/dbraw/zinc/46/65/15/626466515.db2.gz GWZJJQZOMPGHOO-XWDNEUNKSA-N 3 0 293.499 2.712 20 0 CFADRP c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324372 626466561 /nfs/dbraw/zinc/46/65/61/626466561.db2.gz GEHYXRUUTWKLFQ-YQAQFAQXSA-N 2 0 288.439 2.857 20 0 CFADRP CN1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC000923323697 626466581 /nfs/dbraw/zinc/46/65/81/626466581.db2.gz KMNQXMYURLOXEN-ZNXRZULTSA-N 2 0 299.462 2.859 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923357732 626468311 /nfs/dbraw/zinc/46/83/11/626468311.db2.gz QOYGFYQVVVNTCB-SJORKVTESA-N 2 0 282.472 2.639 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364660 626468543 /nfs/dbraw/zinc/46/85/43/626468543.db2.gz PHGPACPCTMZTAW-IXDOHACOSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)cc1 ZINC000923378016 626469407 /nfs/dbraw/zinc/46/94/07/626469407.db2.gz YXIJRGHPNVOTFY-GJZGRUSLSA-N 2 0 294.826 2.759 20 0 CFADRP [NH3+][C@H]1CCCCCN(CCc2cccc(F)c2)C1 ZINC000923412688 626471228 /nfs/dbraw/zinc/47/12/28/626471228.db2.gz SMZIXUMLYOXDOX-HNNXBMFYSA-N 2 0 250.361 2.572 20 0 CFADRP C(C[N@@H+]1CC[C@H]2CSC[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413785 626471240 /nfs/dbraw/zinc/47/12/40/626471240.db2.gz IBUITANKZPMKJJ-GWONACJQSA-N 2 0 280.481 2.592 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923422191 626471535 /nfs/dbraw/zinc/47/15/35/626471535.db2.gz GMWUMJSOCHALDQ-INIZCTEOSA-N 2 0 287.451 2.507 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCC1CCCCC1)CC2 ZINC000923448662 626473484 /nfs/dbraw/zinc/47/34/84/626473484.db2.gz FLBMOOFMFWZWMZ-INIZCTEOSA-N 2 0 280.456 2.787 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449730 626473862 /nfs/dbraw/zinc/47/38/62/626473862.db2.gz BRAJCAQUVFXFIA-PMPSAXMXSA-N 2 0 280.456 2.643 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cc2c1 ZINC000923480148 626475897 /nfs/dbraw/zinc/47/58/97/626475897.db2.gz VWQKBVDACOERGX-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000923481204 626475923 /nfs/dbraw/zinc/47/59/23/626475923.db2.gz NRCSFCXCBWCRAS-SNVBAGLBSA-N 2 0 288.313 2.598 20 0 CFADRP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480877 626475946 /nfs/dbraw/zinc/47/59/46/626475946.db2.gz LXUJWJGXJTUIQI-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000923480667 626476051 /nfs/dbraw/zinc/47/60/51/626476051.db2.gz ZJUMKRJVPBQHKQ-LBPRGKRZSA-N 2 0 297.240 2.662 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000923485328 626476192 /nfs/dbraw/zinc/47/61/92/626476192.db2.gz HZNGUAOMEGXVCN-CQSZACIVSA-N 2 0 266.816 2.943 20 0 CFADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485795 626476209 /nfs/dbraw/zinc/47/62/09/626476209.db2.gz MBKHBHRVWPDHLN-GHMZBOCLSA-N 2 0 292.408 2.530 20 0 CFADRP CC(C)CCc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000923482035 626476244 /nfs/dbraw/zinc/47/62/44/626476244.db2.gz BUBZQAVRBLGGFM-CYBMUJFWSA-N 2 0 281.469 2.902 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923488371 626476406 /nfs/dbraw/zinc/47/64/06/626476406.db2.gz DUVALTSDTHFXGA-UKRRQHHQSA-N 2 0 275.440 2.930 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923496429 626476433 /nfs/dbraw/zinc/47/64/33/626476433.db2.gz IFFPWZQSKYLHST-OCCSQVGLSA-N 2 0 287.382 2.791 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@H]1C[NH3+] ZINC000923489811 626476464 /nfs/dbraw/zinc/47/64/64/626476464.db2.gz LJMWFSMNTZXNDA-NEPJUHHUSA-N 2 0 275.421 2.713 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC000923490723 626476628 /nfs/dbraw/zinc/47/66/28/626476628.db2.gz OTRHDLIZQWEDSB-TZMCWYRMSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923496650 626476635 /nfs/dbraw/zinc/47/66/35/626476635.db2.gz BJSLOYOHKFADRJ-OLZOCXBDSA-N 2 0 287.382 2.791 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492313 626476647 /nfs/dbraw/zinc/47/66/47/626476647.db2.gz BQIAAFJUKSWXRA-GOEBONIOSA-N 2 0 276.424 2.545 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923490758 626476742 /nfs/dbraw/zinc/47/67/42/626476742.db2.gz IBPUIVKVKPITKP-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923492719 626476792 /nfs/dbraw/zinc/47/67/92/626476792.db2.gz ZBAAUKLHLOEZOS-MNOVXSKESA-N 2 0 287.329 2.517 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923491143 626476806 /nfs/dbraw/zinc/47/68/06/626476806.db2.gz KELHUHBIWDMLAJ-AWEZNQCLSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923502199 626476960 /nfs/dbraw/zinc/47/69/60/626476960.db2.gz YAZIAXCGENWXOV-HZPDHXFCSA-N 2 0 276.424 2.762 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(C)s1 ZINC000923494873 626476969 /nfs/dbraw/zinc/47/69/69/626476969.db2.gz PVUHKCMPVJPWFT-GWCFXTLKSA-N 2 0 252.427 2.782 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497366 626477207 /nfs/dbraw/zinc/47/72/07/626477207.db2.gz LGZWEMVYPPKLLY-GRYCIOLGSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@H]1C[N@H+](Cc2coc(-c3cccs3)n2)CC[C@@H]1C[NH3+] ZINC000923497827 626477252 /nfs/dbraw/zinc/47/72/52/626477252.db2.gz MNDMAWPGWVGBPQ-NWDGAFQWSA-N 2 0 291.420 2.820 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500266 626477499 /nfs/dbraw/zinc/47/74/99/626477499.db2.gz NCXIFLLVBQBHRO-OCCSQVGLSA-N 2 0 299.418 2.576 20 0 CFADRP C[C@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)CC[C@@H]1C[NH3+] ZINC000923499695 626477505 /nfs/dbraw/zinc/47/75/05/626477505.db2.gz LJKYPGCWGKUBLX-NWDGAFQWSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499355 626477520 /nfs/dbraw/zinc/47/75/20/626477520.db2.gz SCRRQRONTKCWET-YRGRVCCFSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923501373 626477534 /nfs/dbraw/zinc/47/75/34/626477534.db2.gz RIISQPZMEHGTOZ-QWRGUYRKSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923505562 626477701 /nfs/dbraw/zinc/47/77/01/626477701.db2.gz BLELNQOACQQJID-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP COCC[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505011 626477753 /nfs/dbraw/zinc/47/77/53/626477753.db2.gz KNQOFVKEMYGFET-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923507809 626477853 /nfs/dbraw/zinc/47/78/53/626477853.db2.gz RSANUPQYLUFLIG-QGZVFWFLSA-N 2 0 287.451 2.992 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516256 626478190 /nfs/dbraw/zinc/47/81/90/626478190.db2.gz WYKOXAXYDCYJPR-YESZJQIVSA-N 2 0 270.420 2.648 20 0 CFADRP c1ccc2c(c1)cccc2OCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517173 626478211 /nfs/dbraw/zinc/47/82/11/626478211.db2.gz AUBPFJXVFANWRN-DLBZAZTESA-N 2 0 296.414 2.760 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C(C)(C)O1 ZINC000923529877 626478615 /nfs/dbraw/zinc/47/86/15/626478615.db2.gz CNIKGNVCLAXHMG-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP c1ccc(CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000923555243 626479518 /nfs/dbraw/zinc/47/95/18/626479518.db2.gz RYEDFBICLQOTAS-INIZCTEOSA-N 2 0 258.409 2.693 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1C ZINC000774375387 626481440 /nfs/dbraw/zinc/48/14/40/626481440.db2.gz ABFOMXRDFUHIGW-OAHLLOKOSA-N 2 0 294.439 2.541 20 0 CFADRP Cc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)nn1 ZINC000930147050 626491997 /nfs/dbraw/zinc/49/19/97/626491997.db2.gz YBORXMGOTACLBO-UHFFFAOYSA-N 2 0 290.455 2.647 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CC(C)(C)CC(=O)OCC)C1 ZINC000838849455 626510606 /nfs/dbraw/zinc/51/06/06/626510606.db2.gz CAFWVBJNQCUTSG-OAHLLOKOSA-N 2 0 298.471 2.630 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000757643312 626557053 /nfs/dbraw/zinc/55/70/53/626557053.db2.gz QYTAIOBVGVKJGH-HNNXBMFYSA-N 2 0 293.842 2.899 20 0 CFADRP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000851778050 634524401 /nfs/dbraw/zinc/52/44/01/634524401.db2.gz DRNHWMFBSRRXEC-ARFHVFGLSA-N 2 0 266.429 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000765072657 627117425 /nfs/dbraw/zinc/11/74/25/627117425.db2.gz FBBUJDAQAIDXDM-PBHICJAKSA-N 2 0 258.409 2.914 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000765307155 627130265 /nfs/dbraw/zinc/13/02/65/627130265.db2.gz WXQGOIHZAFCYEP-KBPBESRZSA-N 2 0 276.424 2.560 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000765872259 627161842 /nfs/dbraw/zinc/16/18/42/627161842.db2.gz IODQSXYHMRWWLZ-RHSMWYFYSA-N 2 0 258.409 2.914 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766512400 627206559 /nfs/dbraw/zinc/20/65/59/627206559.db2.gz KITXZEULUWNHAK-QVOMUQBLSA-N 2 0 268.445 2.797 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000766534147 627208260 /nfs/dbraw/zinc/20/82/60/627208260.db2.gz HEUANKMZGIKLOX-SJLPKXTDSA-N 2 0 290.451 2.929 20 0 CFADRP Cn1cccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769467981 627443925 /nfs/dbraw/zinc/44/39/25/627443925.db2.gz CCDPGHCMAYZZRU-UHFFFAOYSA-N 2 0 271.408 2.719 20 0 CFADRP CC(C)[C@@H](C(=O)OCC[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000770379410 627517134 /nfs/dbraw/zinc/51/71/34/627517134.db2.gz BQUWGNNQGSYTEO-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@H](NCc1cccc(F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926241 634593001 /nfs/dbraw/zinc/59/30/01/634593001.db2.gz MGGOZNOQPAMLLK-KBPBESRZSA-N 2 0 291.414 2.963 20 0 CFADRP C[C@H]([NH2+]CC1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000773007502 627767891 /nfs/dbraw/zinc/76/78/91/627767891.db2.gz GRRJHTDQRMWBEI-AWEZNQCLSA-N 2 0 272.436 2.721 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775362152 628015609 /nfs/dbraw/zinc/01/56/09/628015609.db2.gz GNFFESUVRVUHPQ-MGPQQGTHSA-N 2 0 288.526 2.686 20 0 CFADRP COc1c(C)cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1C ZINC000776256895 628122947 /nfs/dbraw/zinc/12/29/47/628122947.db2.gz HDSUUQSEMPGOFE-UHFFFAOYSA-N 2 0 274.408 2.664 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000779342902 628375665 /nfs/dbraw/zinc/37/56/65/628375665.db2.gz VMSCTECFAZBRSM-HOTGVXAUSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@H](CCO)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000779419608 628380348 /nfs/dbraw/zinc/38/03/48/628380348.db2.gz WKCDVFHTZNQDCO-RYRKJORJSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)CC1CC[NH+](C)CC1 ZINC000780287677 628450933 /nfs/dbraw/zinc/45/09/33/628450933.db2.gz SPANHTZPDNWBML-QGZVFWFLSA-N 2 0 272.436 2.990 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782183188 628611334 /nfs/dbraw/zinc/61/13/34/628611334.db2.gz ISXOJZRCFIIHEP-OAHLLOKOSA-N 2 0 290.451 2.900 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000783290652 628697833 /nfs/dbraw/zinc/69/78/33/628697833.db2.gz CPSRCILVLKXVSM-FHLIZLRMSA-N 2 0 288.435 2.531 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000785837241 628916430 /nfs/dbraw/zinc/91/64/30/628916430.db2.gz MLZCDEUGCHSRDT-CHWSQXEVSA-N 2 0 285.391 2.772 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000788479648 629073194 /nfs/dbraw/zinc/07/31/94/629073194.db2.gz YRMDFAHSRQRCFZ-MRXNPFEDSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000790749617 629260049 /nfs/dbraw/zinc/26/00/49/629260049.db2.gz ZHBOHEGKAKKTJD-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000793521625 629560526 /nfs/dbraw/zinc/56/05/26/629560526.db2.gz CXJCBYZDKQEFBI-CQSZACIVSA-N 2 0 286.423 2.641 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C)nn2C)CC1 ZINC000793524583 629561762 /nfs/dbraw/zinc/56/17/62/629561762.db2.gz HUWGDCJUQGXQBD-CQSZACIVSA-N 2 0 278.444 2.501 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000796949216 629994429 /nfs/dbraw/zinc/99/44/29/629994429.db2.gz OSFSBPLJORMUPJ-UHFFFAOYSA-N 2 0 290.451 2.876 20 0 CFADRP CC[C@H]1C[C@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956940 630263789 /nfs/dbraw/zinc/26/37/89/630263789.db2.gz QSZHALXRNVKHKG-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP Cc1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000798957104 630264272 /nfs/dbraw/zinc/26/42/72/630264272.db2.gz UELJTLNVKVXNTI-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178139 630284187 /nfs/dbraw/zinc/28/41/87/630284187.db2.gz MYFHKZBQBVFFBB-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC[C@@H]3CCCCO3)C2)CC1 ZINC000799178201 630284284 /nfs/dbraw/zinc/28/42/84/630284284.db2.gz PKNANBQFKDMBCC-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC000852747031 634822312 /nfs/dbraw/zinc/82/23/12/634822312.db2.gz VPEAOLHAIIKQES-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)n1 ZINC000852750269 634824913 /nfs/dbraw/zinc/82/49/13/634824913.db2.gz XSKZHMYXWSXSII-ZIAGYGMSSA-N 2 0 293.842 2.865 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852754043 634826116 /nfs/dbraw/zinc/82/61/16/634826116.db2.gz MTGXSFJYJNEFLA-QGZVFWFLSA-N 3 0 281.488 2.607 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])[C@@H]1CCC[NH3+] ZINC000852760057 634826641 /nfs/dbraw/zinc/82/66/41/634826641.db2.gz VBVZCMTURDYNAM-HZPDHXFCSA-N 3 0 269.477 2.735 20 0 CFADRP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000852760047 634826863 /nfs/dbraw/zinc/82/68/63/634826863.db2.gz USFQWVOIWOEFCS-QLFBSQMISA-N 2 0 284.444 2.558 20 0 CFADRP [NH3+]C1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000843103730 630632934 /nfs/dbraw/zinc/63/29/34/630632934.db2.gz BUFYGNZVSBJHMB-OWOJBTEDSA-N 2 0 266.335 2.838 20 0 CFADRP CC(C)C(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000808741937 631041488 /nfs/dbraw/zinc/04/14/88/631041488.db2.gz UXPVCFSIDFPGKB-UHFFFAOYSA-N 2 0 268.445 2.655 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@H]2CCOC2)cc1 ZINC000809738856 631275446 /nfs/dbraw/zinc/27/54/46/631275446.db2.gz MZNJYKRGBJVZBL-KRWDZBQOSA-N 2 0 276.424 2.607 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H](O)c2ccccc2)CC1 ZINC000809747024 631278367 /nfs/dbraw/zinc/27/83/67/631278367.db2.gz GTMKUJKWIDNYSH-QGZVFWFLSA-N 2 0 290.451 2.963 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000841004652 631302753 /nfs/dbraw/zinc/30/27/53/631302753.db2.gz WETDXJUHPAWGHH-OCCSQVGLSA-N 2 0 280.387 2.654 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000841009132 631304526 /nfs/dbraw/zinc/30/45/26/631304526.db2.gz IRKIOCQELUALKM-DLBZAZTESA-N 2 0 276.424 2.704 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]CC3(C)CC[NH2+]CC3)ccc2O1 ZINC000841057531 631323953 /nfs/dbraw/zinc/32/39/53/631323953.db2.gz ORFBRTQGLVZTJP-UHFFFAOYSA-N 2 0 288.435 2.879 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CCCC[NH3+])cnc1Cl ZINC000841080522 631332825 /nfs/dbraw/zinc/33/28/25/631332825.db2.gz RXNPBEHGEOBUHA-LLVKDONJSA-N 2 0 255.793 2.651 20 0 CFADRP CCCCn1nc(C)c(C[NH2+][C@@H](C)CCC[NH3+])c1Cl ZINC000841080879 631333229 /nfs/dbraw/zinc/33/32/29/631333229.db2.gz RHKTZKJFZFRTOX-NSHDSACASA-N 2 0 286.851 2.862 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H](C)CCCC[NH3+])cc1C ZINC000841081135 631333262 /nfs/dbraw/zinc/33/32/62/631333262.db2.gz VGSUSFJRMQUMLG-AWEZNQCLSA-N 2 0 264.413 2.919 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)ccc2O1 ZINC000841085108 631334526 /nfs/dbraw/zinc/33/45/26/631334526.db2.gz UMSJUXZRKUKJBC-IUODEOHRSA-N 2 0 274.408 2.617 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000841096010 631338394 /nfs/dbraw/zinc/33/83/94/631338394.db2.gz QMNLUYMWQFLLBA-MDASCCDHSA-N 2 0 298.430 2.993 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000841095874 631338688 /nfs/dbraw/zinc/33/86/88/631338688.db2.gz PQXVTBKYIPZTJA-VCBZYWHSSA-N 2 0 298.430 2.851 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000842221346 631568093 /nfs/dbraw/zinc/56/80/93/631568093.db2.gz RZZMYXNAHWFPBG-INIZCTEOSA-N 2 0 290.451 2.736 20 0 CFADRP CC[C@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)[NH+](CC)CC ZINC000840234492 631583485 /nfs/dbraw/zinc/58/34/85/631583485.db2.gz BHNBZCALSLZLCA-HUUCEWRRSA-N 2 0 284.444 2.524 20 0 CFADRP C[C@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000840236559 631605406 /nfs/dbraw/zinc/60/54/06/631605406.db2.gz WFDOMYQBKLXOOT-HZPDHXFCSA-N 2 0 296.455 2.669 20 0 CFADRP CC(C)C[C@@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000842472528 631639070 /nfs/dbraw/zinc/63/90/70/631639070.db2.gz DHVHSJPOBPRXCG-OAHLLOKOSA-N 2 0 256.434 2.643 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000842472575 631639636 /nfs/dbraw/zinc/63/96/36/631639636.db2.gz FICJPYXEAFGZGT-INIZCTEOSA-N 2 0 268.445 2.788 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000842476194 631640785 /nfs/dbraw/zinc/64/07/85/631640785.db2.gz JATNTLDBNIBMSN-AEFFLSMTSA-N 3 0 293.499 2.844 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842668272 631698511 /nfs/dbraw/zinc/69/85/11/631698511.db2.gz GEHYMBVZJAOVIH-YOEHRIQHSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842668269 631698733 /nfs/dbraw/zinc/69/87/33/631698733.db2.gz GEHYMBVZJAOVIH-WMLDXEAASA-N 2 0 276.424 2.794 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CO1 ZINC000842678026 631703034 /nfs/dbraw/zinc/70/30/34/631703034.db2.gz RKMRMQCUDCGMEE-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852610 631798594 /nfs/dbraw/zinc/79/85/94/631798594.db2.gz HWNJYIYQUZWXFX-NJAFHUGGSA-N 2 0 290.451 2.915 20 0 CFADRP C[N@H+](Cc1ncccc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000843055492 631818573 /nfs/dbraw/zinc/81/85/73/631818573.db2.gz CYYIAGTVYWPKLS-UHFFFAOYSA-N 2 0 287.329 2.802 20 0 CFADRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1SC ZINC000843108425 631837243 /nfs/dbraw/zinc/83/72/43/631837243.db2.gz ZTXFOESJXBHFOJ-UHFFFAOYSA-N 2 0 280.437 2.777 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000843126478 631845051 /nfs/dbraw/zinc/84/50/51/631845051.db2.gz GRKDHRVRMARVRP-UHFFFAOYSA-N 2 0 260.303 2.713 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cnc1Cl ZINC000843125631 631845361 /nfs/dbraw/zinc/84/53/61/631845361.db2.gz ZKAIZBNPQLEFCF-LSDHHAIUSA-N 2 0 293.842 2.865 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cccc2cnccc21 ZINC000843127387 631846728 /nfs/dbraw/zinc/84/67/28/631846728.db2.gz OUQQZRXBXSRRSJ-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000843127591 631847032 /nfs/dbraw/zinc/84/70/32/631847032.db2.gz FCCFIFXYGBBKCN-NEPJUHHUSA-N 2 0 262.397 2.616 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000155950899 650037693 /nfs/dbraw/zinc/03/76/93/650037693.db2.gz QZEJZYLACPGFIL-UHFFFAOYSA-N 2 0 285.391 2.773 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(Cl)cn1 ZINC000843341268 631931223 /nfs/dbraw/zinc/93/12/23/631931223.db2.gz HXFBBKIYRIFGRD-NSHDSACASA-N 2 0 255.793 2.905 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000843341485 631931369 /nfs/dbraw/zinc/93/13/69/631931369.db2.gz IURCNDFFFMMZCT-BZUAXINKSA-N 2 0 268.445 2.690 20 0 CFADRP c1ccc(CSCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843341754 631932231 /nfs/dbraw/zinc/93/22/31/631932231.db2.gz GONPENHSSAHWLY-YESZJQIVSA-N 2 0 290.476 2.898 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000843342561 631932316 /nfs/dbraw/zinc/93/23/16/631932316.db2.gz RXROYKKQXWEGBJ-HNNXBMFYSA-N 2 0 262.397 2.878 20 0 CFADRP c1ccc(CSCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843341752 631932573 /nfs/dbraw/zinc/93/25/73/631932573.db2.gz GONPENHSSAHWLY-GVDBMIGSSA-N 2 0 290.476 2.898 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCCCC[NH3+])cc1O ZINC000843343034 631932666 /nfs/dbraw/zinc/93/26/66/631932666.db2.gz WSPYJDLJOXQQPQ-GFCCVEGCSA-N 2 0 266.385 2.571 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccccc1N(C)C ZINC000843342134 631932735 /nfs/dbraw/zinc/93/27/35/631932735.db2.gz NNQUGTPQLYLAHP-AWEZNQCLSA-N 2 0 263.429 2.922 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000843359355 631936614 /nfs/dbraw/zinc/93/66/14/631936614.db2.gz QFBYZJXBKAKEFP-MSOLQXFVSA-N 2 0 290.451 2.964 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCNCC12CCCCC2 ZINC000843360828 631938037 /nfs/dbraw/zinc/93/80/37/631938037.db2.gz UJASTLBNLRHWDB-UHFFFAOYSA-N 2 0 267.461 2.504 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843364196 631938424 /nfs/dbraw/zinc/93/84/24/631938424.db2.gz QVAINLJPNGIOJV-UHFFFAOYSA-N 2 0 288.435 2.758 20 0 CFADRP Clc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000843387269 631942484 /nfs/dbraw/zinc/94/24/84/631942484.db2.gz GAOIDUNCPUAMIM-GHMZBOCLSA-N 2 0 285.844 2.618 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843392347 631943333 /nfs/dbraw/zinc/94/33/33/631943333.db2.gz NEXPDWOPCDPONR-HZPDHXFCSA-N 2 0 268.445 2.787 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000842688446 632105705 /nfs/dbraw/zinc/10/57/05/632105705.db2.gz NYHACNXLJDKNRD-UIDBIOKJSA-N 2 0 266.429 2.551 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000844196936 632132352 /nfs/dbraw/zinc/13/23/52/632132352.db2.gz GDBPOGBUJDOMLC-UHFFFAOYSA-N 2 0 291.439 2.857 20 0 CFADRP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000844220788 632136697 /nfs/dbraw/zinc/13/66/97/632136697.db2.gz BINYGIBSPYKFDN-MRXNPFEDSA-N 2 0 278.444 2.775 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCCCCC[NH3+])CC1 ZINC000844221580 632137472 /nfs/dbraw/zinc/13/74/72/632137472.db2.gz GTUDBDAISVVSNS-UHFFFAOYSA-N 3 0 269.477 2.702 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000815144862 632216783 /nfs/dbraw/zinc/21/67/83/632216783.db2.gz KYVVVAWKJSVLEI-DLBZAZTESA-N 2 0 282.472 2.735 20 0 CFADRP CC[NH+](CC)CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446388 632275931 /nfs/dbraw/zinc/27/59/31/632275931.db2.gz UYQPLPUIEURNKW-INIZCTEOSA-N 2 0 296.455 2.669 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000815627958 632300621 /nfs/dbraw/zinc/30/06/21/632300621.db2.gz OKJDJWPZVDLXPA-AAEUAGOBSA-N 2 0 252.377 2.982 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000815647253 632304454 /nfs/dbraw/zinc/30/44/54/632304454.db2.gz DJNGDGLCOVNBKU-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cnc1Cl ZINC000844901955 632331218 /nfs/dbraw/zinc/33/12/18/632331218.db2.gz KFZOPORFEHKTIH-SMDDNHRTSA-N 2 0 281.831 2.993 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccccc2C[NH2+]C)CCO1 ZINC000844904502 632332158 /nfs/dbraw/zinc/33/21/58/632332158.db2.gz OHSLCNPDNCHIFA-RHSMWYFYSA-N 2 0 276.424 2.701 20 0 CFADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)cnc1Cl ZINC000844912338 632334428 /nfs/dbraw/zinc/33/44/28/632334428.db2.gz SBCYDRIEQCTNCZ-UHFFFAOYSA-N 2 0 267.804 2.604 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Br)nc1 ZINC000844919344 632335237 /nfs/dbraw/zinc/33/52/37/632335237.db2.gz FOGMXWRECVEHLT-JTQLQIEISA-N 2 0 298.228 2.624 20 0 CFADRP COCc1cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)ccc1OC ZINC000844922069 632337167 /nfs/dbraw/zinc/33/71/67/632337167.db2.gz KTKVAPBLWWBGAI-ZDUSSCGKSA-N 2 0 292.423 2.621 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@]1(F)Cl ZINC000844923564 632338083 /nfs/dbraw/zinc/33/80/83/632338083.db2.gz KQLYYNADUHLZGB-FVCCEPFGSA-N 2 0 262.800 2.798 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844924502 632339126 /nfs/dbraw/zinc/33/91/26/632339126.db2.gz LVSPWRNOIAHGCA-LPEHRKFASA-N 2 0 253.217 2.676 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000845942677 632601616 /nfs/dbraw/zinc/60/16/16/632601616.db2.gz QSEKTBGRFYLQNH-KKUMJFAQSA-N 2 0 270.461 2.900 20 0 CFADRP COc1cc(C)c(C[N@H+](C)CCCCCC[NH3+])cc1OC ZINC000846218530 632664055 /nfs/dbraw/zinc/66/40/55/632664055.db2.gz XFLZYBXZQZCCOO-UHFFFAOYSA-N 2 0 294.439 2.963 20 0 CFADRP [NH3+]CCCCCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000846217872 632664270 /nfs/dbraw/zinc/66/42/70/632664270.db2.gz HPIVTXSLDQSFLR-GOSISDBHSA-N 2 0 290.451 2.877 20 0 CFADRP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000846217974 632664841 /nfs/dbraw/zinc/66/48/41/632664841.db2.gz QBMRDCDVEMYGNV-UHFFFAOYSA-N 2 0 291.439 2.693 20 0 CFADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846220080 632666366 /nfs/dbraw/zinc/66/63/66/632666366.db2.gz AUBKMZCCLHSFSU-OAHLLOKOSA-N 2 0 278.444 2.949 20 0 CFADRP [NH3+]CCCCCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000846221444 632667134 /nfs/dbraw/zinc/66/71/34/632667134.db2.gz KAMIDHVUEWKLFT-UHFFFAOYSA-N 2 0 281.488 2.703 20 0 CFADRP C[C@H]1COc2ccccc2C[N@@H+]1CCCCCC[NH3+] ZINC000846224510 632668184 /nfs/dbraw/zinc/66/81/84/632668184.db2.gz YZBUOVXYBUMWRQ-AWEZNQCLSA-N 2 0 262.397 2.789 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000846223136 632668680 /nfs/dbraw/zinc/66/86/80/632668680.db2.gz HAPCNORVQFDBLT-IRXDYDNUSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000846226547 632668765 /nfs/dbraw/zinc/66/87/65/632668765.db2.gz OYHBKENZOMCINE-BBRMVZONSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000846226549 632668804 /nfs/dbraw/zinc/66/88/04/632668804.db2.gz OYHBKENZOMCINE-CZUORRHYSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CCCCCCC1 ZINC000817888894 632716868 /nfs/dbraw/zinc/71/68/68/632716868.db2.gz KQGXVSMLVOIRAR-IMJJTQAJSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCSC(F)(F)F ZINC000817890632 632718868 /nfs/dbraw/zinc/71/88/68/632718868.db2.gz VRDQEYMRLNHRDR-CMPLNLGQSA-N 2 0 292.370 2.788 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)CC[NH2+]CC1 ZINC000817894337 632719899 /nfs/dbraw/zinc/71/98/99/632719899.db2.gz LNFLYDRMFJMWKG-ZIAGYGMSSA-N 2 0 298.471 2.580 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817895446 632720429 /nfs/dbraw/zinc/72/04/29/632720429.db2.gz VANOARCEEHPHMS-OKDNKWQNSA-N 2 0 288.435 2.750 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000817897091 632720647 /nfs/dbraw/zinc/72/06/47/632720647.db2.gz DTFRMYLJAKFAKD-SLBVQIDZSA-N 2 0 278.465 2.819 20 0 CFADRP CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817896814 632720950 /nfs/dbraw/zinc/72/09/50/632720950.db2.gz VFNHYKXZWPOPIX-GHMZBOCLSA-N 2 0 267.442 2.641 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897231 632721808 /nfs/dbraw/zinc/72/18/08/632721808.db2.gz HJUKYWMROVONIH-CABCVRRESA-N 2 0 281.488 2.747 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNc2ccccc2)c2ccccc21 ZINC000817900571 632724057 /nfs/dbraw/zinc/72/40/57/632724057.db2.gz NSIBKVKDHVNKHI-IAGOWNOFSA-N 2 0 267.376 2.833 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817902419 632725899 /nfs/dbraw/zinc/72/58/99/632725899.db2.gz QHMRBUIJUCARTQ-HOCLYGCPSA-N 2 0 275.440 2.620 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000817902677 632726965 /nfs/dbraw/zinc/72/69/65/632726965.db2.gz WROLGWOWHYTXCO-RBSFLKMASA-N 2 0 293.842 2.788 20 0 CFADRP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817905273 632727692 /nfs/dbraw/zinc/72/76/92/632727692.db2.gz LRZFWRAAGSOZJQ-CHUYQPBYSA-N 2 0 292.398 2.510 20 0 CFADRP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904951 632728092 /nfs/dbraw/zinc/72/80/92/632728092.db2.gz IKCUPOZSERCGGT-KLBWVBMESA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000817913047 632730927 /nfs/dbraw/zinc/73/09/27/632730927.db2.gz NFENKBXICGJIGR-RFGFWPKPSA-N 2 0 282.453 2.810 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000817913029 632730967 /nfs/dbraw/zinc/73/09/67/632730967.db2.gz MQQHZYDCLPNSAV-FXUDXRNXSA-N 2 0 294.439 2.992 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000817911521 632730994 /nfs/dbraw/zinc/73/09/94/632730994.db2.gz AADOGUJQYXWHKP-UPJWGTAASA-N 2 0 270.442 2.667 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817916858 632733499 /nfs/dbraw/zinc/73/34/99/632733499.db2.gz LQJHIHJFLHDFJN-HZMBPMFUSA-N 2 0 288.794 2.620 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922879 632735397 /nfs/dbraw/zinc/73/53/97/632735397.db2.gz NPOGOWRDWAAQLG-YKWDICOMSA-N 2 0 288.435 2.534 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817924368 632736897 /nfs/dbraw/zinc/73/68/97/632736897.db2.gz VGLMWTVHDWLJCO-ZYHUDNBSSA-N 2 0 253.777 2.528 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)[C@@H]1CCC[NH2+]C1 ZINC000817924081 632736980 /nfs/dbraw/zinc/73/69/80/632736980.db2.gz RHPPEAMVOICHQR-GRYCIOLGSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936418 632741676 /nfs/dbraw/zinc/74/16/76/632741676.db2.gz JZYHYQRZHMMKHF-OUAUKWLOSA-N 2 0 265.228 2.691 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000817944118 632746022 /nfs/dbraw/zinc/74/60/22/632746022.db2.gz XRTMLKYBWUHZOR-OAHLLOKOSA-N 2 0 262.397 2.662 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817946094 632748285 /nfs/dbraw/zinc/74/82/85/632748285.db2.gz RJAJQVXSFQTOOH-CJNGLKHVSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cn1 ZINC000817950247 632750814 /nfs/dbraw/zinc/75/08/14/632750814.db2.gz XBNOILRGGDBDLG-LBPRGKRZSA-N 2 0 273.355 2.573 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817955337 632755030 /nfs/dbraw/zinc/75/50/30/632755030.db2.gz VVHBXROLDUYZLQ-CZUORRHYSA-N 2 0 274.408 2.662 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCO2 ZINC000817965232 632763685 /nfs/dbraw/zinc/76/36/85/632763685.db2.gz RLTSHNUYKLVELG-AWEZNQCLSA-N 2 0 260.381 2.544 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000817966517 632765633 /nfs/dbraw/zinc/76/56/33/632765633.db2.gz PJQAMKTYQYCJFV-IAGOWNOFSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817969344 632767298 /nfs/dbraw/zinc/76/72/98/632767298.db2.gz UWBHZOYOKMKLLA-CMPLNLGQSA-N 2 0 298.228 2.637 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817969532 632768342 /nfs/dbraw/zinc/76/83/42/632768342.db2.gz WKBDRFNPDCYWMM-HZPDHXFCSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccnc(Cl)c1 ZINC000817975405 632773162 /nfs/dbraw/zinc/77/31/62/632773162.db2.gz MZLYQDAGJLUGBD-WDEREUQCSA-N 2 0 255.793 2.903 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccnc1Cl ZINC000817976053 632773369 /nfs/dbraw/zinc/77/33/69/632773369.db2.gz UNZVCJFGYUDESK-WDEREUQCSA-N 2 0 255.793 2.903 20 0 CFADRP CCCCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000817980577 632777148 /nfs/dbraw/zinc/77/71/48/632777148.db2.gz CIGRYWBUZUBFOH-LSDHHAIUSA-N 2 0 270.461 2.950 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817981333 632777970 /nfs/dbraw/zinc/77/79/70/632777970.db2.gz RBNMAEYBPCYYJB-XJKSGUPXSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)nc1 ZINC000817981704 632778867 /nfs/dbraw/zinc/77/88/67/632778867.db2.gz MZIPIHDPQNAXAD-HOSYDEDBSA-N 2 0 298.228 2.622 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccnc1Cl ZINC000817982651 632779584 /nfs/dbraw/zinc/77/95/84/632779584.db2.gz VCJKIOMPWGQPKC-DCAQKATOSA-N 2 0 253.777 2.513 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)n(C)n1 ZINC000817983067 632780215 /nfs/dbraw/zinc/78/02/15/632780215.db2.gz JUOMYYYARCJWEK-GOEBONIOSA-N 2 0 286.423 2.859 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817986759 632782355 /nfs/dbraw/zinc/78/23/55/632782355.db2.gz UJLCQKXITLFKPX-NSHDSACASA-N 2 0 265.788 2.695 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000846845489 632820343 /nfs/dbraw/zinc/82/03/43/632820343.db2.gz WYHKAMHBYIXOFY-INIZCTEOSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc(Cl)s1)CC[NH2+]CC2 ZINC000818340720 632832237 /nfs/dbraw/zinc/83/22/37/632832237.db2.gz RFRHQHKKUONEDP-SNVBAGLBSA-N 2 0 285.844 2.761 20 0 CFADRP CCCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000818963099 632916807 /nfs/dbraw/zinc/91/68/07/632916807.db2.gz GIHMWZWTCLVYSE-PMPSAXMXSA-N 2 0 268.445 2.534 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000818990827 632923692 /nfs/dbraw/zinc/92/36/92/632923692.db2.gz POBFODTYEIQJQC-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000819081983 632956692 /nfs/dbraw/zinc/95/66/92/632956692.db2.gz MYKDPCMTYZDEEC-IRXDYDNUSA-N 2 0 292.467 2.984 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC000819081512 632957043 /nfs/dbraw/zinc/95/70/43/632957043.db2.gz LTOVATNCLQVXML-HZPDHXFCSA-N 2 0 278.440 2.676 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C(C)(C)C ZINC000819081992 632957623 /nfs/dbraw/zinc/95/76/23/632957623.db2.gz NALLQHNCSWUXPX-HOTGVXAUSA-N 2 0 296.430 2.815 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccccc2C)CC1 ZINC000819106113 632966845 /nfs/dbraw/zinc/96/68/45/632966845.db2.gz MWCCGZXZSDDAFI-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000819231517 633030600 /nfs/dbraw/zinc/03/06/00/633030600.db2.gz XOZNCUPQTITMJB-SJLPKXTDSA-N 2 0 290.451 2.883 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000819362716 633112017 /nfs/dbraw/zinc/11/20/17/633112017.db2.gz QQSYDZWEWOLDCM-GOSISDBHSA-N 2 0 290.451 2.801 20 0 CFADRP c1[nH]nc2cc(C[NH2+][C@@H]3CCCN4CCCC[C@H]34)ccc12 ZINC000848574817 633294101 /nfs/dbraw/zinc/29/41/01/633294101.db2.gz IYDJLFFXRGMFEJ-NVXWUHKLSA-N 2 0 284.407 2.669 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1(Cl)Cl ZINC000848721303 633324237 /nfs/dbraw/zinc/32/42/37/633324237.db2.gz ZZSJOSIFEBNQLN-MXWKQRLJSA-N 2 0 265.228 2.820 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1(Cl)Cl ZINC000848721301 633324696 /nfs/dbraw/zinc/32/46/96/633324696.db2.gz ZZSJOSIFEBNQLN-AXFHLTTASA-N 2 0 265.228 2.820 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000857253551 635957219 /nfs/dbraw/zinc/95/72/19/635957219.db2.gz OZNRWGXTQMEBRW-NOOOWODRSA-N 2 0 277.239 2.548 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253237 635957271 /nfs/dbraw/zinc/95/72/71/635957271.db2.gz LKAQKEOIHGAOLY-UWVGGRQHSA-N 2 0 253.217 2.677 20 0 CFADRP CCC(CC)[C@@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCC1 ZINC000848984023 633416703 /nfs/dbraw/zinc/41/67/03/633416703.db2.gz DQQSHVYPROQWNW-OAHLLOKOSA-N 2 0 280.460 2.553 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000848989505 633419073 /nfs/dbraw/zinc/41/90/73/633419073.db2.gz VOPJKNBWQFNMJP-UONOGXRCSA-N 2 0 268.449 2.553 20 0 CFADRP CCCCCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 ZINC000848995626 633451052 /nfs/dbraw/zinc/45/10/52/633451052.db2.gz XBWXKBDULMVCPD-CQSZACIVSA-N 2 0 268.449 2.555 20 0 CFADRP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CC[C@@H](C)C2)cc1C ZINC000849004148 633455904 /nfs/dbraw/zinc/45/59/04/633455904.db2.gz BYDBGYVVSIENQA-GFCCVEGCSA-N 2 0 274.412 2.582 20 0 CFADRP CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849007852 633457468 /nfs/dbraw/zinc/45/74/68/633457468.db2.gz XWTDASYIEPXYHI-GDBMZVCRSA-N 2 0 290.455 2.886 20 0 CFADRP CC(C)CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849058938 633482612 /nfs/dbraw/zinc/48/26/12/633482612.db2.gz WKPDKXXEQFLXIW-MRXNPFEDSA-N 2 0 296.503 2.903 20 0 CFADRP C(NC1=[NH+]CCCCN1)C1([NH+]2CCCCC2)CCCCC1 ZINC000849215177 633583521 /nfs/dbraw/zinc/58/35/21/633583521.db2.gz SNQQPJDHGICZEK-UHFFFAOYSA-N 2 0 292.471 2.504 20 0 CFADRP COc1cncc(C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000850032433 633797047 /nfs/dbraw/zinc/79/70/47/633797047.db2.gz ZAUSFCPRIVOHSQ-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP Cc1nc(C[NH2+]CCCCCCC[NH+](C)C)[nH]c1C ZINC000850076690 633825743 /nfs/dbraw/zinc/82/57/43/633825743.db2.gz ATQVBKCOABIHDM-UHFFFAOYSA-N 2 0 266.433 2.628 20 0 CFADRP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000850421723 633985171 /nfs/dbraw/zinc/98/51/71/633985171.db2.gz XTXXAIPAWZKADH-ZDUSSCGKSA-N 2 0 262.397 2.614 20 0 CFADRP C[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000850512052 634025038 /nfs/dbraw/zinc/02/50/38/634025038.db2.gz VAIMWIYJFWPHSO-GOEBONIOSA-N 2 0 274.408 2.996 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1SCCS1 ZINC000853022521 634879876 /nfs/dbraw/zinc/87/98/76/634879876.db2.gz AJAPHKOMZHHSGG-STQMWFEESA-N 2 0 286.510 2.647 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000854221205 635261798 /nfs/dbraw/zinc/26/17/98/635261798.db2.gz IQAVHIZPLVXSBY-RKVPGOIHSA-N 2 0 284.403 2.733 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CCSCC2)C1 ZINC000925489568 635689212 /nfs/dbraw/zinc/68/92/12/635689212.db2.gz ZIWMJPIGMFOSBW-STQMWFEESA-N 2 0 256.459 2.625 20 0 CFADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157383651 650215754 /nfs/dbraw/zinc/21/57/54/650215754.db2.gz PZGSJUCOYVKGPE-JQFCIGGWSA-N 2 0 275.440 2.697 20 0 CFADRP CCCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591258 635833877 /nfs/dbraw/zinc/83/38/77/635833877.db2.gz LPUMEZDXKAIKOV-QGZVFWFLSA-N 2 0 291.439 2.787 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000857254068 635956397 /nfs/dbraw/zinc/95/63/97/635956397.db2.gz XHWYKVQPTOLYHY-GARJFASQSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115575 636131828 /nfs/dbraw/zinc/13/18/28/636131828.db2.gz MHKXEEVEIFRKAC-CABCVRRESA-N 2 0 276.424 2.916 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnc(F)c2)c1 ZINC000858128024 636134623 /nfs/dbraw/zinc/13/46/23/636134623.db2.gz YFBFFJINBSSARO-UHFFFAOYSA-N 2 0 287.382 2.962 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858147644 636140126 /nfs/dbraw/zinc/14/01/26/636140126.db2.gz WKPWNCDBKJSDQA-RWMBFGLXSA-N 2 0 256.459 2.733 20 0 CFADRP OCc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858346860 636201773 /nfs/dbraw/zinc/20/17/73/636201773.db2.gz SMKUHRFMOJQUGE-KRWDZBQOSA-N 2 0 297.402 2.650 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859118331 636462886 /nfs/dbraw/zinc/46/28/86/636462886.db2.gz MICUBCSXQWCIFI-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP CC[C@@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000859212073 636505949 /nfs/dbraw/zinc/50/59/49/636505949.db2.gz DKXDLSKJAAPSRI-INIZCTEOSA-N 2 0 264.413 2.605 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2(O)CCCCC2)cc1 ZINC000859215036 636508602 /nfs/dbraw/zinc/50/86/02/636508602.db2.gz UWAWPVMMKYTLJU-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000859291846 636533421 /nfs/dbraw/zinc/53/34/21/636533421.db2.gz NBVCCCCZMZRVKA-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000862288928 637314637 /nfs/dbraw/zinc/31/46/37/637314637.db2.gz JTKLUTVNBPKFIN-NRXISQOPSA-N 2 0 270.486 2.982 20 0 CFADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862350348 637326355 /nfs/dbraw/zinc/32/63/55/637326355.db2.gz RJOILTUIFSUDSI-CYBMUJFWSA-N 2 0 286.379 2.665 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@@H](N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863483704 637676292 /nfs/dbraw/zinc/67/62/92/637676292.db2.gz YJSVWHZELXCDKF-MSOLQXFVSA-N 2 0 299.462 2.525 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000863543701 637690200 /nfs/dbraw/zinc/69/02/00/637690200.db2.gz WCWFVFFVVDPFNW-WHOHXGKFSA-N 2 0 264.335 2.838 20 0 CFADRP COc1cccc2c1C[N@H+](CCCCCCC[NH3+])C2 ZINC000863556263 637694458 /nfs/dbraw/zinc/69/44/58/637694458.db2.gz CCHHIXAGGSNCNK-UHFFFAOYSA-N 2 0 262.397 2.920 20 0 CFADRP Cc1c(Br)cccc1CN(C)C[C@H](C)[NH3+] ZINC000863566986 637697463 /nfs/dbraw/zinc/69/74/63/637697463.db2.gz AOOFUJWIBJNVGL-VIFPVBQESA-N 2 0 271.202 2.537 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH2+]C1 ZINC000863653792 637727255 /nfs/dbraw/zinc/72/72/55/637727255.db2.gz PPBYGIIFBUNXSJ-HUUCEWRRSA-N 2 0 264.800 2.917 20 0 CFADRP c1ccc(N2CC[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000864054822 637849663 /nfs/dbraw/zinc/84/96/63/637849663.db2.gz BKNUGAAOYQQGFS-WMZOPIPTSA-N 2 0 299.462 2.777 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NCCC1CC1 ZINC000864452074 637984934 /nfs/dbraw/zinc/98/49/34/637984934.db2.gz LMYXSWSUOLXMKW-AWEZNQCLSA-N 2 0 280.460 2.555 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865417505 638323284 /nfs/dbraw/zinc/32/32/84/638323284.db2.gz NGTARWVMBQYERG-CYBMUJFWSA-N 2 0 287.382 2.805 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865457244 638346763 /nfs/dbraw/zinc/34/67/63/638346763.db2.gz XUNLBVWUTURAPU-ZDUSSCGKSA-N 2 0 287.382 2.805 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000865765938 638562193 /nfs/dbraw/zinc/56/21/93/638562193.db2.gz SWBHNGCIZANKDZ-UHFFFAOYSA-N 2 0 286.423 2.915 20 0 CFADRP CN(C)c1ccncc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865764816 638562383 /nfs/dbraw/zinc/56/23/83/638562383.db2.gz DJAPCAKAEAFAFJ-UHFFFAOYSA-N 2 0 290.455 2.500 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C1CC1 ZINC000866369524 638806917 /nfs/dbraw/zinc/80/69/17/638806917.db2.gz LSEXMIAWQCWUSA-DLBZAZTESA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)[C@H]2CCC[C@H]21 ZINC000866451188 638824571 /nfs/dbraw/zinc/82/45/71/638824571.db2.gz GBNIHDIMJKJVJZ-GZBLMMOJSA-N 2 0 254.393 2.730 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000866467896 638826138 /nfs/dbraw/zinc/82/61/38/638826138.db2.gz TYBRSEGWEQIYTF-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000866469947 638826613 /nfs/dbraw/zinc/82/66/13/638826613.db2.gz QGEMBPLHUZXKJI-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516061 638834549 /nfs/dbraw/zinc/83/45/49/638834549.db2.gz NASYJPVVIUSLEF-HWOWSKLDSA-N 2 0 270.461 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)[C@@H](C)C1 ZINC000866527679 638835751 /nfs/dbraw/zinc/83/57/51/638835751.db2.gz MHGTZZVPISMYGM-JYJNAYRXSA-N 2 0 280.456 2.513 20 0 CFADRP CN1Cc2ccccc2[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866561165 638845036 /nfs/dbraw/zinc/84/50/36/638845036.db2.gz AYZKAAHRZJMCBP-LJQANCHMSA-N 2 0 299.462 2.637 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584064 638849220 /nfs/dbraw/zinc/84/92/20/638849220.db2.gz GTECDLNBCMUEEN-VHDGCEQUSA-N 2 0 264.438 2.705 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)nc1Cl ZINC000866665655 638862874 /nfs/dbraw/zinc/86/28/74/638862874.db2.gz ZCIIUXFBTLBADU-GFCCVEGCSA-N 2 0 267.804 2.604 20 0 CFADRP c1oc(C2CC2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866665919 638863211 /nfs/dbraw/zinc/86/32/11/638863211.db2.gz KUOIOYJUJGDICU-LSDHHAIUSA-N 2 0 289.423 2.764 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000866703538 638868539 /nfs/dbraw/zinc/86/85/39/638868539.db2.gz JEAIKSQNQLVACC-QGZVFWFLSA-N 2 0 294.414 2.901 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707830 638869151 /nfs/dbraw/zinc/86/91/51/638869151.db2.gz XBMZNYITIKLSJE-CZUORRHYSA-N 2 0 261.413 2.840 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCc2ccncc2)C1 ZINC000866707463 638869347 /nfs/dbraw/zinc/86/93/47/638869347.db2.gz OSUDUZKVVAQCKR-QGZVFWFLSA-N 2 0 275.440 2.711 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000866709594 638869833 /nfs/dbraw/zinc/86/98/33/638869833.db2.gz SISCRBMFAZKHKQ-KRWDZBQOSA-N 2 0 294.414 2.515 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc2cc[nH]c2c1 ZINC000866717437 638870118 /nfs/dbraw/zinc/87/01/18/638870118.db2.gz FHPZLSNGWJNDML-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CCC[NH2+]C1 ZINC000866717515 638870173 /nfs/dbraw/zinc/87/01/73/638870173.db2.gz HCPDNVFGGIPPEJ-CQSZACIVSA-N 2 0 257.381 2.599 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1ccc(C[NH3+])cc1 ZINC000867990422 638911952 /nfs/dbraw/zinc/91/19/52/638911952.db2.gz BHJWWXVPHUEHEI-MRXNPFEDSA-N 2 0 295.386 2.584 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871800603 641464467 /nfs/dbraw/zinc/46/44/67/641464467.db2.gz PONOLYPHVNDMEU-SLYWTYHBSA-N 2 0 298.390 2.754 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000872021895 641552392 /nfs/dbraw/zinc/55/23/92/641552392.db2.gz FTGCLPWCJUCRQV-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872059797 641591930 /nfs/dbraw/zinc/59/19/30/641591930.db2.gz ILBIIGVVAYFNDT-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000872073966 641605479 /nfs/dbraw/zinc/60/54/79/641605479.db2.gz ULQXQDXOFMCPTC-MNOVXSKESA-N 2 0 254.340 2.895 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872079074 641611448 /nfs/dbraw/zinc/61/14/48/641611448.db2.gz LGZWDABRJIDKDS-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC(C)C)CCC2)[C@@H](C)C1 ZINC000872116360 641646719 /nfs/dbraw/zinc/64/67/19/641646719.db2.gz KSWDUJWLYAWLDC-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000872144315 641671568 /nfs/dbraw/zinc/67/15/68/641671568.db2.gz GAQZUUHSGOGCHO-BDXSIMOUSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1csc([C@H]2CC[N@H+](CCCCCC[NH3+])C2)n1 ZINC000872147976 641674005 /nfs/dbraw/zinc/67/40/05/641674005.db2.gz MYFQZGRQOMUSFG-ZDUSSCGKSA-N 2 0 267.442 2.760 20 0 CFADRP Cn1cncc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158121 641678923 /nfs/dbraw/zinc/67/89/23/641678923.db2.gz TWDOHSALPHEFRJ-WMLDXEAASA-N 2 0 290.455 2.540 20 0 CFADRP c1cc(N2CCN(c3cc[nH+]cc3C3CC3)CC2)cc[nH+]1 ZINC000872395231 641790339 /nfs/dbraw/zinc/79/03/39/641790339.db2.gz ZDGBRIUXDFDNQI-UHFFFAOYSA-N 2 0 280.375 2.681 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2C2CC2)C1 ZINC000872419344 641804516 /nfs/dbraw/zinc/80/45/16/641804516.db2.gz FHJOIGWJFCDFGT-ZDUSSCGKSA-N 2 0 259.397 2.525 20 0 CFADRP CC(C)C[C@@H]1COCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204258 642065778 /nfs/dbraw/zinc/06/57/78/642065778.db2.gz BKZVUCCQBVEPLM-CQSZACIVSA-N 2 0 294.464 2.641 20 0 CFADRP Cc1ccncc1C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208364 642066762 /nfs/dbraw/zinc/06/67/62/642066762.db2.gz MWNSHSFDPKHJKF-UHFFFAOYSA-N 2 0 287.432 2.729 20 0 CFADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cncc(F)c1 ZINC000873212874 642070024 /nfs/dbraw/zinc/07/00/24/642070024.db2.gz BFJAMULCTAOUOI-JTQLQIEISA-N 2 0 291.395 2.779 20 0 CFADRP C[C@@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccncc1 ZINC000873212622 642070704 /nfs/dbraw/zinc/07/07/04/642070704.db2.gz QEQAIMXWVGIZBO-LBPRGKRZSA-N 2 0 287.432 2.682 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)C1CC[NH2+]CC1 ZINC000873219991 642072849 /nfs/dbraw/zinc/07/28/49/642072849.db2.gz FFPBONZUVGSVNI-VHSXEESVSA-N 2 0 252.324 2.695 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220195 642073918 /nfs/dbraw/zinc/07/39/18/642073918.db2.gz LGANUIMHLQZNQT-HNNXBMFYSA-N 2 0 298.434 2.658 20 0 CFADRP CCn1nc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c2ccccc21 ZINC000873220666 642074130 /nfs/dbraw/zinc/07/41/30/642074130.db2.gz QXRCDMNKLHMBAN-CYBMUJFWSA-N 2 0 286.423 2.534 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221886 642074903 /nfs/dbraw/zinc/07/49/03/642074903.db2.gz SFHNORKJQQVVMS-CQSZACIVSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000873222130 642074956 /nfs/dbraw/zinc/07/49/56/642074956.db2.gz ASKISHFMMNULDX-DLGQBQFBSA-N 2 0 280.362 2.956 20 0 CFADRP CCn1nc(C)c(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1C ZINC000873224018 642078476 /nfs/dbraw/zinc/07/84/76/642078476.db2.gz WMHQPNPWDRWJOY-KRWDZBQOSA-N 2 0 292.471 2.717 20 0 CFADRP COCCC1([NH2+]CC2CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000873224954 642078522 /nfs/dbraw/zinc/07/85/22/642078522.db2.gz NWRURKFRZFAKRH-UHFFFAOYSA-N 2 0 282.472 2.951 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCCCCC[NH3+])o1 ZINC000873231931 642085516 /nfs/dbraw/zinc/08/55/16/642085516.db2.gz ZXPMJEBOXSETHN-UHFFFAOYSA-N 2 0 290.411 2.929 20 0 CFADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231977 642085861 /nfs/dbraw/zinc/08/58/61/642085861.db2.gz HZSJTVOGYAUHCF-KBAYOESNSA-N 2 0 295.515 2.837 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c[nH]c2cc1F ZINC000873247442 642093965 /nfs/dbraw/zinc/09/39/65/642093965.db2.gz MSTHMLYDXSONOP-LRDDRELGSA-N 2 0 289.398 2.888 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])c[nH]c2cc1F ZINC000873247566 642094917 /nfs/dbraw/zinc/09/49/17/642094917.db2.gz PLVGDEHHJOYLLW-WBMJQRKESA-N 2 0 289.398 2.875 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000873249221 642095548 /nfs/dbraw/zinc/09/55/48/642095548.db2.gz IUTUGAGBYZFKKD-VBQJREDUSA-N 2 0 296.418 2.577 20 0 CFADRP COCCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000873249065 642095873 /nfs/dbraw/zinc/09/58/73/642095873.db2.gz HYIWEZPRHYDDMO-UHOFOFEASA-N 2 0 280.387 2.620 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Br)cs1 ZINC000873250974 642096735 /nfs/dbraw/zinc/09/67/35/642096735.db2.gz SELBQRKDBKNCHN-OYNCUSHFSA-N 2 0 289.242 2.899 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCSCCC(F)(F)F)C1 ZINC000873251863 642097542 /nfs/dbraw/zinc/09/75/42/642097542.db2.gz LZGWTRYVSCCPJY-ZJUUUORDSA-N 2 0 270.364 2.532 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252499 642098497 /nfs/dbraw/zinc/09/84/97/642098497.db2.gz ORNYPPMOQDXDDO-NOOOWODRSA-N 2 0 264.335 2.847 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000873252635 642098779 /nfs/dbraw/zinc/09/87/79/642098779.db2.gz UIIWHZXSCQJRJD-MWDXBVQZSA-N 2 0 258.409 2.725 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252941 642099288 /nfs/dbraw/zinc/09/92/88/642099288.db2.gz SSNSLLWDJSYBQK-KFGODFMUSA-N 2 0 292.467 2.559 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253045 642099342 /nfs/dbraw/zinc/09/93/42/642099342.db2.gz YEKYCGJPGISLIT-QKCSRTOESA-N 2 0 252.789 2.598 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000873253873 642099994 /nfs/dbraw/zinc/09/99/94/642099994.db2.gz GJHUWWILDLARSH-KKZNHRDASA-N 2 0 288.313 2.815 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255086 642101082 /nfs/dbraw/zinc/10/10/82/642101082.db2.gz CSLQSNNOZFFYDR-YWDSYVAPSA-N 2 0 262.372 2.776 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256012 642101509 /nfs/dbraw/zinc/10/15/09/642101509.db2.gz JOGRIKUPDACHNF-JKOKRWQUSA-N 2 0 297.240 2.707 20 0 CFADRP COCCC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000873255764 642101568 /nfs/dbraw/zinc/10/15/68/642101568.db2.gz HYIWEZPRHYDDMO-RCBQFDQVSA-N 2 0 280.387 2.620 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000873256352 642101854 /nfs/dbraw/zinc/10/18/54/642101854.db2.gz LZLFCNLMSXZCRG-KBRIMQKVSA-N 2 0 258.409 2.643 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000873256380 642101982 /nfs/dbraw/zinc/10/19/82/642101982.db2.gz OFNZFZQUAZSEQH-YDHLFZDLSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000873256640 642102484 /nfs/dbraw/zinc/10/24/84/642102484.db2.gz BRIAXSFMBAPYIH-DCAQKATOSA-N 2 0 270.323 2.676 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000873256482 642102568 /nfs/dbraw/zinc/10/25/68/642102568.db2.gz MXGYXPGICXVUQB-IRUJWGPZSA-N 2 0 299.340 2.805 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000873257623 642103749 /nfs/dbraw/zinc/10/37/49/642103749.db2.gz JDMGFBUHPKVRLV-DCAQKATOSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259409 642104231 /nfs/dbraw/zinc/10/42/31/642104231.db2.gz DPAQIDAPWRTUJM-APIJFGDWSA-N 2 0 262.397 2.721 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000873259072 642104370 /nfs/dbraw/zinc/10/43/70/642104370.db2.gz YMYGYHTUPAAWSF-LMZXCBKASA-N 3 0 299.462 2.509 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873259104 642104583 /nfs/dbraw/zinc/10/45/83/642104583.db2.gz XVYNTFLMWMGKDB-GLXFQSAKSA-N 2 0 254.324 2.743 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000873259131 642104620 /nfs/dbraw/zinc/10/46/20/642104620.db2.gz ZTTWJZVAPXKIBQ-GAJTVXKRSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259406 642104624 /nfs/dbraw/zinc/10/46/24/642104624.db2.gz DODBAASIKJOFRL-FQUUOJAGSA-N 2 0 264.438 2.799 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1OC ZINC000873262667 642106395 /nfs/dbraw/zinc/10/63/95/642106395.db2.gz BCVRZVWMOIQPQQ-JKJDWNRSSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(O)c1 ZINC000873263514 642107213 /nfs/dbraw/zinc/10/72/13/642107213.db2.gz ISTTWHMNEOFTHL-RJZRQDKASA-N 2 0 260.381 2.573 20 0 CFADRP C[C@H]1CC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)C1 ZINC000873265160 642108437 /nfs/dbraw/zinc/10/84/37/642108437.db2.gz USBCDAFOYXNKQM-ARILJUKYSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000873267749 642110237 /nfs/dbraw/zinc/11/02/37/642110237.db2.gz IYMVVPZREICPKP-GHMZBOCLSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)C1CC[NH2+]CC1 ZINC000873267469 642110352 /nfs/dbraw/zinc/11/03/52/642110352.db2.gz DDXYZUOGUCRNDX-PBFPGSCMSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000873267780 642110491 /nfs/dbraw/zinc/11/04/91/642110491.db2.gz JKTFBCTYJROSLZ-GHMZBOCLSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)C1CC[NH2+]CC1 ZINC000873268029 642111044 /nfs/dbraw/zinc/11/10/44/642111044.db2.gz PINKMVNAUBKVHY-MNOVXSKESA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CC[NH2+]CC1 ZINC000873268270 642111315 /nfs/dbraw/zinc/11/13/15/642111315.db2.gz BKSOLJFBCFMIRE-MLGOLLRUSA-N 2 0 274.408 2.747 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c(F)c1 ZINC000873269984 642111829 /nfs/dbraw/zinc/11/18/29/642111829.db2.gz NMDQXXLYUMJNII-NWDGAFQWSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@H]1CCCF)C1CC[NH2+]CC1 ZINC000873269513 642111959 /nfs/dbraw/zinc/11/19/59/642111959.db2.gz QULWZYYRKOZRNC-SNPRPXQTSA-N 2 0 256.409 2.883 20 0 CFADRP C[C@H]([NH2+]C1CCc2ccccc2CC1)C1CC[NH2+]CC1 ZINC000873270693 642112698 /nfs/dbraw/zinc/11/26/98/642112698.db2.gz ADXAILWIXVODAD-AWEZNQCLSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000873271320 642112981 /nfs/dbraw/zinc/11/29/81/642112981.db2.gz GVDOQFCNLWSIRU-KBPBESRZSA-N 2 0 275.440 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000873272662 642113546 /nfs/dbraw/zinc/11/35/46/642113546.db2.gz WEKOWMJKKFXERD-STQMWFEESA-N 2 0 293.430 2.930 20 0 CFADRP C[C@@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000873274469 642114146 /nfs/dbraw/zinc/11/41/46/642114146.db2.gz VFPKRQUVCPHWCJ-ZTFGCOKTSA-N 2 0 287.451 2.913 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873285111 642119323 /nfs/dbraw/zinc/11/93/23/642119323.db2.gz YPZZVPXCEGPAJQ-DOTOQJQBSA-N 2 0 269.392 2.984 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288936 642122396 /nfs/dbraw/zinc/12/23/96/642122396.db2.gz CSVOKSRZRIOLNG-JKSUJKDBSA-N 2 0 280.456 2.870 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289539 642122475 /nfs/dbraw/zinc/12/24/75/642122475.db2.gz JGMUNPCBLRNQQM-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290874 642122726 /nfs/dbraw/zinc/12/27/26/642122726.db2.gz BKXWPRXYYMMTPF-CVEARBPZSA-N 2 0 292.467 2.848 20 0 CFADRP CC1(C)CCC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290369 642122981 /nfs/dbraw/zinc/12/29/81/642122981.db2.gz CYJFYMRGMODUHI-GJZGRUSLSA-N 2 0 280.456 2.704 20 0 CFADRP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290270 642123035 /nfs/dbraw/zinc/12/30/35/642123035.db2.gz CCOKHSFUCCCQKM-ULQDDVLXSA-N 2 0 292.467 2.704 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290040 642123260 /nfs/dbraw/zinc/12/32/60/642123260.db2.gz NMGUMSDVGQNKRX-HOTGVXAUSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c(C)o1 ZINC000873291926 642123677 /nfs/dbraw/zinc/12/36/77/642123677.db2.gz OBDGSVXPNJLIGE-HIFRSBDPSA-N 2 0 292.423 2.706 20 0 CFADRP C([NH2+]C(C1CCC1)C1CCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294032 642124705 /nfs/dbraw/zinc/12/47/05/642124705.db2.gz SDTDZUXOWHNCMO-MRXNPFEDSA-N 2 0 292.467 2.704 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292943 642125021 /nfs/dbraw/zinc/12/50/21/642125021.db2.gz GTPOVDCXFRCWII-KBPBESRZSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294685 642125600 /nfs/dbraw/zinc/12/56/00/642125600.db2.gz XZBDVXMXNXELBT-ILXRZTDVSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294389 642125814 /nfs/dbraw/zinc/12/58/14/642125814.db2.gz RNJNADDZVNYCGL-KGLIPLIRSA-N 2 0 268.445 2.559 20 0 CFADRP CCCCC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200505 642322742 /nfs/dbraw/zinc/32/27/42/642322742.db2.gz BPRQWQIZPYJGDE-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP CC1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCC1 ZINC000876576824 642931331 /nfs/dbraw/zinc/93/13/31/642931331.db2.gz QSBFMBCUHMXLDB-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CCOc1cc(F)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000876690574 642975737 /nfs/dbraw/zinc/97/57/37/642975737.db2.gz NILWXLLTGAKDTP-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP Cc1cc(C)cc(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000876730086 642986241 /nfs/dbraw/zinc/98/62/41/642986241.db2.gz BVWAYHKISVMGLM-KRWDZBQOSA-N 2 0 260.425 2.729 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CCC[NH2+]C1CC1 ZINC000088194390 650808739 /nfs/dbraw/zinc/80/87/39/650808739.db2.gz BABHKZNUFJFBCZ-AWEZNQCLSA-N 2 0 276.424 2.700 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000876972786 643088090 /nfs/dbraw/zinc/08/80/90/643088090.db2.gz OLPDTZNVZIKLEN-JTQLQIEISA-N 2 0 277.239 2.787 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000877020916 643107311 /nfs/dbraw/zinc/10/73/11/643107311.db2.gz ITDBCMBBRXUGGC-YJYMSZOUSA-N 2 0 290.388 2.641 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877020299 643107352 /nfs/dbraw/zinc/10/73/52/643107352.db2.gz OKPNZIYUCAJVPA-UHFFFAOYSA-N 2 0 273.833 2.618 20 0 CFADRP CSC(C)(C)CC[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000877074908 643136199 /nfs/dbraw/zinc/13/61/99/643136199.db2.gz VDFVWHMQYHFIFX-ZDUSSCGKSA-N 2 0 276.515 2.545 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000877073608 643136554 /nfs/dbraw/zinc/13/65/54/643136554.db2.gz OGTUALNGBXPTSQ-KSZLIROESA-N 2 0 290.451 2.707 20 0 CFADRP Clc1csc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000877481389 643298064 /nfs/dbraw/zinc/29/80/64/643298064.db2.gz GEQFFOWYYZKGBU-UHFFFAOYSA-N 2 0 285.844 2.761 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000877551475 643352419 /nfs/dbraw/zinc/35/24/19/643352419.db2.gz AVJCRTPTYYTQTQ-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000877617723 643404227 /nfs/dbraw/zinc/40/42/27/643404227.db2.gz SYECFEKVHZBOSY-VYGYDYRJSA-N 2 0 290.388 2.639 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000877634438 643419200 /nfs/dbraw/zinc/41/92/00/643419200.db2.gz KFSVKXUHVLEQPV-SWLSCSKDSA-N 2 0 268.470 2.735 20 0 CFADRP COCC[N@@H+](Cc1ccccc1F)CC1CC[NH+](C)CC1 ZINC000877665075 643441540 /nfs/dbraw/zinc/44/15/40/643441540.db2.gz GTZFSRFHGYSUEM-UHFFFAOYSA-N 2 0 294.414 2.616 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC000877683990 643452331 /nfs/dbraw/zinc/45/23/31/643452331.db2.gz MDXOUXHSDITLDU-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP Cc1c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)ccnc1F ZINC000877711631 643478928 /nfs/dbraw/zinc/47/89/28/643478928.db2.gz SAQCGOUVUMJTMS-UHFFFAOYSA-N 2 0 279.403 2.882 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000877737894 643499484 /nfs/dbraw/zinc/49/94/84/643499484.db2.gz ITDPPPSZSKWFFG-QAPCUYQASA-N 2 0 281.403 2.761 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738536 643501562 /nfs/dbraw/zinc/50/15/62/643501562.db2.gz CDGRCLFIZIOWOI-NVXWUHKLSA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000877739886 643506268 /nfs/dbraw/zinc/50/62/68/643506268.db2.gz IAVGBKKOYGNZNV-GDBMZVCRSA-N 2 0 278.827 2.909 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877739354 643506791 /nfs/dbraw/zinc/50/67/91/643506791.db2.gz DOLSENPADDCWIJ-DOTOQJQBSA-N 2 0 258.409 2.829 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742931 643515881 /nfs/dbraw/zinc/51/58/81/643515881.db2.gz HOKLWLFSQIOKES-QWHCGFSZSA-N 2 0 250.411 2.583 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877742903 643516005 /nfs/dbraw/zinc/51/60/05/643516005.db2.gz SEEPVITUWKBYLV-PVAVHDDUSA-N 2 0 258.409 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000877743989 643520649 /nfs/dbraw/zinc/52/06/49/643520649.db2.gz NVMRRKDOIPVXLT-PBHICJAKSA-N 2 0 269.392 2.694 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877744892 643525702 /nfs/dbraw/zinc/52/57/02/643525702.db2.gz YSGQWEIMMMVRPS-IAGOWNOFSA-N 2 0 258.409 2.829 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877744891 643526135 /nfs/dbraw/zinc/52/61/35/643526135.db2.gz YSGQWEIMMMVRPS-DLBZAZTESA-N 2 0 258.409 2.829 20 0 CFADRP Cc1n[nH]cc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767396 643546442 /nfs/dbraw/zinc/54/64/42/643546442.db2.gz HHYZFLQCZRDSJC-UHFFFAOYSA-N 2 0 278.444 2.518 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794093 643559091 /nfs/dbraw/zinc/55/90/91/643559091.db2.gz GILBKYKVFCZFIE-GJZGRUSLSA-N 2 0 250.430 2.983 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000877968640 643670547 /nfs/dbraw/zinc/67/05/47/643670547.db2.gz OWOWNSYIJWLSOL-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000877977172 643675153 /nfs/dbraw/zinc/67/51/53/643675153.db2.gz URCYECQMERGAIH-CALCHBBNSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000877989502 643682481 /nfs/dbraw/zinc/68/24/81/643682481.db2.gz VRZBAQRPQJZMPI-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP CCOC(CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OCC ZINC000126844277 643695942 /nfs/dbraw/zinc/69/59/42/643695942.db2.gz UBNMVBJCEQTZNU-HUUCEWRRSA-N 2 0 298.471 2.628 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878159838 643767121 /nfs/dbraw/zinc/76/71/21/643767121.db2.gz XJVAZRFDTNORNJ-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP C=C/C=C\CC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000878159529 643767455 /nfs/dbraw/zinc/76/74/55/643767455.db2.gz YOLYJCSAVVZLBI-PTZVLDCSSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000878196621 643788621 /nfs/dbraw/zinc/78/86/21/643788621.db2.gz HFTVPAPLJTYGCB-OAGGEKHMSA-N 2 0 278.440 2.504 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878313676 643834335 /nfs/dbraw/zinc/83/43/35/643834335.db2.gz DISOJGNNZSDBQO-WMLDXEAASA-N 2 0 276.424 2.605 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878645886 643973204 /nfs/dbraw/zinc/97/32/04/643973204.db2.gz SESAARRHGWXMRZ-WMLDXEAASA-N 2 0 280.456 2.608 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCCC(C)(C)O1)C2 ZINC000878662213 643982060 /nfs/dbraw/zinc/98/20/60/643982060.db2.gz MRDYARXMFANHIM-DOTOQJQBSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)CC(C)(C)C ZINC000878693558 643994771 /nfs/dbraw/zinc/99/47/71/643994771.db2.gz DBWYTOCWMLQRFZ-OAHLLOKOSA-N 2 0 296.499 2.885 20 0 CFADRP C[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000878768245 644020795 /nfs/dbraw/zinc/02/07/95/644020795.db2.gz CTQAQBUAIAPVNC-OAHLLOKOSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CC=C(Cl)Cl)C2)CC1 ZINC000878864075 644054825 /nfs/dbraw/zinc/05/48/25/644054825.db2.gz OXEPQLJBUNGGDO-UHFFFAOYSA-N 2 0 263.212 2.723 20 0 CFADRP Cc1noc(C)c1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250155 644194584 /nfs/dbraw/zinc/19/45/84/644194584.db2.gz OBNPOBOTJDDAHW-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC([NH3+])CC1 ZINC000091846752 650910168 /nfs/dbraw/zinc/91/01/68/650910168.db2.gz MHDHUTFCFWMRCW-UHFFFAOYSA-N 2 0 284.407 2.574 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571031 644329489 /nfs/dbraw/zinc/32/94/89/644329489.db2.gz LLHIYKQVSJIWBY-IRXDYDNUSA-N 2 0 288.435 2.790 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(CCSc3ccccc3)CC[C@H]21 ZINC000879572113 644330166 /nfs/dbraw/zinc/33/01/66/644330166.db2.gz FJOKGCWSOBGSGZ-GOEBONIOSA-N 2 0 276.449 2.805 20 0 CFADRP COc1cc(C)c(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000091847768 650911039 /nfs/dbraw/zinc/91/10/39/650911039.db2.gz QWVVBDVEULYVHM-UHFFFAOYSA-N 2 0 292.423 2.714 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccsc3)CC[C@H]21 ZINC000879583766 644339313 /nfs/dbraw/zinc/33/93/13/644339313.db2.gz ZZVYULQMFBXKKN-LSDHHAIUSA-N 2 0 264.438 2.707 20 0 CFADRP C[NH+]1CCN(C2CC[NH+]([C@@H]3C=CCCCCC3)CC2)CC1 ZINC000879596192 644344405 /nfs/dbraw/zinc/34/44/05/644344405.db2.gz IQZHQPIHXINOIM-QGZVFWFLSA-N 2 0 291.483 2.587 20 0 CFADRP CC(C)C[N@H+](CC[C@H](O)C(C)C)CC1CC[NH+](C)CC1 ZINC000879706447 644389653 /nfs/dbraw/zinc/38/96/53/644389653.db2.gz XVDCYMZTZRREHN-KRWDZBQOSA-N 2 0 284.488 2.693 20 0 CFADRP CC(C)C[N@H+](CCOC1CCC1)CC1CC[NH+](C)CC1 ZINC000879703662 644389696 /nfs/dbraw/zinc/38/96/96/644389696.db2.gz RWGXQZAHYPDYQA-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950925 644470593 /nfs/dbraw/zinc/47/05/93/644470593.db2.gz DPMWVPHHKDXDJX-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCC(CC)CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201841 644578970 /nfs/dbraw/zinc/57/89/70/644578970.db2.gz TVQKUSIIGQCMHI-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP FC[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880236913 644599657 /nfs/dbraw/zinc/59/96/57/644599657.db2.gz LSFXSUQYJJRQEV-HUUCEWRRSA-N 2 0 274.399 2.740 20 0 CFADRP Cc1cccc(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC000880258944 644617729 /nfs/dbraw/zinc/61/77/29/644617729.db2.gz LCYVWKYUCFBTAO-INIZCTEOSA-N 2 0 296.418 2.538 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516237 650941580 /nfs/dbraw/zinc/94/15/80/650941580.db2.gz HNIIGHCFMJDNGI-JYJNAYRXSA-N 2 0 269.477 2.617 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)c1ccccc1 ZINC000880461156 644721401 /nfs/dbraw/zinc/72/14/01/644721401.db2.gz DOPGNRCFVGDGHB-SJORKVTESA-N 2 0 276.424 2.526 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CCc2ccccc2)CC1 ZINC000880472529 644726565 /nfs/dbraw/zinc/72/65/65/644726565.db2.gz RZAFXEQHSVZLFM-UHFFFAOYSA-N 2 0 258.409 2.789 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472778 644726963 /nfs/dbraw/zinc/72/69/63/644726963.db2.gz CCCKQNRMPLMVJK-UHFFFAOYSA-N 2 0 296.455 2.670 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000880475452 644727963 /nfs/dbraw/zinc/72/79/63/644727963.db2.gz UOFKAXUZWVYJAI-OWCLPIDISA-N 2 0 262.441 2.983 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1OC ZINC000129013169 644977847 /nfs/dbraw/zinc/97/78/47/644977847.db2.gz BGVCHKJSDAVZHY-DZGCQCFKSA-N 2 0 262.397 2.878 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000250537432 650975188 /nfs/dbraw/zinc/97/51/88/650975188.db2.gz ZJUVPGITDJTBNF-HOTGVXAUSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250689055 650978328 /nfs/dbraw/zinc/97/83/28/650978328.db2.gz ILDSCZGMIKJQTR-PMPSAXMXSA-N 2 0 290.455 2.514 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883014674 645562954 /nfs/dbraw/zinc/56/29/54/645562954.db2.gz XPZOKIXPTLXJQP-UIBIWLFHSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883014672 645563376 /nfs/dbraw/zinc/56/33/76/645563376.db2.gz XPZOKIXPTLXJQP-HPFXQQBRSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000883185659 645648244 /nfs/dbraw/zinc/64/82/44/645648244.db2.gz BJSORMCNOXQRBN-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883207282 645664529 /nfs/dbraw/zinc/66/45/29/645664529.db2.gz KBMVWXLSFVXWIO-IXDOHACOSA-N 2 0 292.467 2.677 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000253180043 651039158 /nfs/dbraw/zinc/03/91/58/651039158.db2.gz DFPOWPSWAFSYMA-GXTWGEPZSA-N 2 0 264.438 2.825 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C=CCC2)[C@@H](C)C1 ZINC000883246445 645694089 /nfs/dbraw/zinc/69/40/89/645694089.db2.gz IQNQFLWIQCMUMD-ULQDDVLXSA-N 2 0 280.456 2.679 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000131461793 645728451 /nfs/dbraw/zinc/72/84/51/645728451.db2.gz CYBAQFFLKHZAPX-NWDGAFQWSA-N 2 0 273.355 2.543 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000883353977 645758303 /nfs/dbraw/zinc/75/83/03/645758303.db2.gz IGYYBDNXRCENDL-NXHRZFHOSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000883356855 645762895 /nfs/dbraw/zinc/76/28/95/645762895.db2.gz XOCBBXFASYPMLJ-OAHLLOKOSA-N 2 0 280.456 2.941 20 0 CFADRP CC1(C)CCC[C@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000883415697 645808806 /nfs/dbraw/zinc/80/88/06/645808806.db2.gz CBBITFRWHKCKRY-OAHLLOKOSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883425043 645818403 /nfs/dbraw/zinc/81/84/03/645818403.db2.gz KBWCNALXGWBWGT-SVGFKBNWSA-N 2 0 274.408 2.576 20 0 CFADRP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883425220 645818649 /nfs/dbraw/zinc/81/86/49/645818649.db2.gz OSGQPFBGGRWSOZ-SQNIBIBYSA-N 2 0 286.419 2.592 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)CC[C@@H]1[NH3+] ZINC000883427060 645820660 /nfs/dbraw/zinc/82/06/60/645820660.db2.gz HIDBOTMEYJLWGQ-UPJWGTAASA-N 2 0 260.372 2.871 20 0 CFADRP CN(C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H](C[NH3+])C1CC1 ZINC000883428181 645821656 /nfs/dbraw/zinc/82/16/56/645821656.db2.gz NLJJNRMLDZWMJF-GVDBMIGSSA-N 2 0 274.408 2.576 20 0 CFADRP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)O2)cc1 ZINC000883428433 645822540 /nfs/dbraw/zinc/82/25/40/645822540.db2.gz UFNYFLZHLGHTET-MHORFTMASA-N 2 0 286.419 2.591 20 0 CFADRP CN(C[C@@H]1CC[C@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429566 645823311 /nfs/dbraw/zinc/82/33/11/645823311.db2.gz ZDABMASOIWKECC-JKSUJKDBSA-N 2 0 274.408 2.720 20 0 CFADRP FC(F)(F)OCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000883429087 645823386 /nfs/dbraw/zinc/82/33/86/645823386.db2.gz KZICDJZLSKJTNL-QWHCGFSZSA-N 2 0 294.361 2.625 20 0 CFADRP CC(C)(C)[C@H](CN)[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883429629 645823759 /nfs/dbraw/zinc/82/37/59/645823759.db2.gz ANMQLPYNJLXMTM-XHSDSOJGSA-N 2 0 276.424 2.870 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000883435120 645828688 /nfs/dbraw/zinc/82/86/88/645828688.db2.gz KZFIFVXXDHJTAD-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000883448048 645837763 /nfs/dbraw/zinc/83/77/63/645837763.db2.gz SLDFVPLFQODAFZ-KRWDZBQOSA-N 3 0 293.499 2.717 20 0 CFADRP c1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCN21 ZINC000883461873 645843440 /nfs/dbraw/zinc/84/34/40/645843440.db2.gz FPQBMQGXENUFEX-AEFFLSMTSA-N 2 0 299.462 2.861 20 0 CFADRP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCC[NH3+])cn1 ZINC000883462407 645845445 /nfs/dbraw/zinc/84/54/45/645845445.db2.gz QLHODYXGVCQSBJ-ZXFUBFMLSA-N 2 0 290.455 2.650 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000883464488 645846957 /nfs/dbraw/zinc/84/69/57/645846957.db2.gz OGNRUHVELQVFDK-CJNGLKHVSA-N 2 0 273.424 2.911 20 0 CFADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000884038004 646131766 /nfs/dbraw/zinc/13/17/66/646131766.db2.gz UEEQZZNLILXJHK-RISCZKNCSA-N 2 0 277.412 2.654 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000800171531 646167674 /nfs/dbraw/zinc/16/76/74/646167674.db2.gz MXHKGZYBIFGNKA-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cncc2ccccc21 ZINC000135377006 646527393 /nfs/dbraw/zinc/52/73/93/646527393.db2.gz CBGRJLFOKMFEJW-UHFFFAOYSA-N 2 0 257.381 2.666 20 0 CFADRP Cc1n[nH]c(CNCCC[N@@H+](C)C2CCCCC2)c1C ZINC000885914238 646767296 /nfs/dbraw/zinc/76/72/96/646767296.db2.gz PEVMOBDPMYSFLO-UHFFFAOYSA-N 2 0 278.444 2.771 20 0 CFADRP Cc1coc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000885924896 646769620 /nfs/dbraw/zinc/76/96/20/646769620.db2.gz YKPICOBDHLVDDQ-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885955851 646782130 /nfs/dbraw/zinc/78/21/30/646782130.db2.gz CMANZLCDVVZKIX-MSOLQXFVSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886027840 646827070 /nfs/dbraw/zinc/82/70/70/646827070.db2.gz JBEMBZAQVSLEDX-RYQLBKOJSA-N 2 0 292.467 2.608 20 0 CFADRP Cc1coc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000886043873 646838258 /nfs/dbraw/zinc/83/82/58/646838258.db2.gz LQOZBLHGSZQPAI-UHFFFAOYSA-N 2 0 250.386 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)CO2)[C@@H](C)C1 ZINC000886070771 646853773 /nfs/dbraw/zinc/85/37/73/646853773.db2.gz XGTOKGRWDQHHMG-ULQDDVLXSA-N 2 0 294.483 2.998 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000886093877 646863963 /nfs/dbraw/zinc/86/39/63/646863963.db2.gz IYFRIZGEYPFDIG-WBVHZDCISA-N 2 0 280.456 2.798 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(Cl)cn2)CC[NH+](C)CC1 ZINC000886121076 646881629 /nfs/dbraw/zinc/88/16/29/646881629.db2.gz UTYTVGPPNIJAAA-UHFFFAOYSA-N 2 0 299.871 2.652 20 0 CFADRP Cc1coc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000886166511 646903954 /nfs/dbraw/zinc/90/39/54/646903954.db2.gz KMAQPHIEZUOKLZ-HNNXBMFYSA-N 2 0 262.397 2.800 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC[C@@H](C3CC3)O1)CC2 ZINC000886305947 646960610 /nfs/dbraw/zinc/96/06/10/646960610.db2.gz VCFVXSGHIMHTRN-IRXDYDNUSA-N 2 0 292.467 2.752 20 0 CFADRP CCN1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886491689 647017884 /nfs/dbraw/zinc/01/78/84/647017884.db2.gz MMVARBMFGURGQX-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000886501298 647021163 /nfs/dbraw/zinc/02/11/63/647021163.db2.gz FESFACRYOBAIRP-GYXIZQIFSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@](C)(O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886526072 647030098 /nfs/dbraw/zinc/03/00/98/647030098.db2.gz DQXIDODJBHIPEE-OFLPRAFFSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886531970 647032303 /nfs/dbraw/zinc/03/23/03/647032303.db2.gz AIDPLMAMAYMRJY-INIZCTEOSA-N 2 0 273.424 2.781 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000886550147 647044012 /nfs/dbraw/zinc/04/40/12/647044012.db2.gz STJBWBPXUHWSEQ-SHARSMKWSA-N 2 0 268.470 2.879 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000886588571 647056189 /nfs/dbraw/zinc/05/61/89/647056189.db2.gz VAPBBKQMEQXAMM-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886601135 647062409 /nfs/dbraw/zinc/06/24/09/647062409.db2.gz KWNKBVSOABPHCX-KZYLPZIUSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886641717 647083848 /nfs/dbraw/zinc/08/38/48/647083848.db2.gz QMQXMDDQFDLOPM-MYBQVCMBSA-N 2 0 280.456 2.941 20 0 CFADRP CCC[C@H](CCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886645306 647085394 /nfs/dbraw/zinc/08/53/94/647085394.db2.gz WWIJCQFFDPXXJR-KLAILNCOSA-N 2 0 282.472 2.924 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC3(CCC3)CO2)CC1 ZINC000886701451 647116779 /nfs/dbraw/zinc/11/67/79/647116779.db2.gz PVMYQFPGVDCQNJ-OAHLLOKOSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000886828180 647154429 /nfs/dbraw/zinc/15/44/29/647154429.db2.gz YUFCEBXHQDLJSR-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000886832676 647156749 /nfs/dbraw/zinc/15/67/49/647156749.db2.gz LGIAISLVPGZCQS-ULQDDVLXSA-N 2 0 292.467 2.800 20 0 CFADRP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838361 647158618 /nfs/dbraw/zinc/15/86/18/647158618.db2.gz VWXZAHYUFBMDML-ZJPYXAASSA-N 2 0 292.467 2.656 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839473 647158622 /nfs/dbraw/zinc/15/86/22/647158622.db2.gz FOCJWACLOXAYMH-LTIDMASMSA-N 2 0 262.441 2.887 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886839651 647159506 /nfs/dbraw/zinc/15/95/06/647159506.db2.gz JMKLXFNWJFPFNA-OWSLCNJRSA-N 2 0 292.467 2.641 20 0 CFADRP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCC[NH3+] ZINC000886843117 647160627 /nfs/dbraw/zinc/16/06/27/647160627.db2.gz PCPKADDPBHGMQJ-HNNXBMFYSA-N 2 0 250.361 2.572 20 0 CFADRP OC1(C2(C[NH2+]CCC[NH+]3CCCCC3)CCC2)CCC1 ZINC000886979338 647187154 /nfs/dbraw/zinc/18/71/54/647187154.db2.gz ILIBTKZXXXDCAH-UHFFFAOYSA-N 2 0 280.456 2.537 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC000887134343 647223363 /nfs/dbraw/zinc/22/33/63/647223363.db2.gz IDPFSPCNDUCDQL-DOTOQJQBSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000887134345 647223731 /nfs/dbraw/zinc/22/37/31/647223731.db2.gz IDPFSPCNDUCDQL-RDJZCZTQSA-N 2 0 289.423 2.551 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)SC ZINC000300411060 647329826 /nfs/dbraw/zinc/32/98/26/647329826.db2.gz LBNYSBJTJXMCCN-OLZOCXBDSA-N 2 0 258.475 2.981 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000925498031 647854966 /nfs/dbraw/zinc/85/49/66/647854966.db2.gz AZNGXGQLLQGIMS-MOPGFXCFSA-N 2 0 298.430 2.660 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925498529 647861769 /nfs/dbraw/zinc/86/17/69/647861769.db2.gz QDSTUOREDOCKRJ-SOUVJXGZSA-N 2 0 273.424 2.947 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(Cl)cc1 ZINC000925495579 647864577 /nfs/dbraw/zinc/86/45/77/647864577.db2.gz PYZHVWXJGNQXKE-YPXDRJKUSA-N 2 0 278.827 2.988 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(OC)no1 ZINC000924528577 647988073 /nfs/dbraw/zinc/98/80/73/647988073.db2.gz NXJAJUDZBXIJMU-QWHCGFSZSA-N 2 0 283.416 2.844 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1c[nH]c2ccccc12 ZINC000924535868 647989493 /nfs/dbraw/zinc/98/94/93/647989493.db2.gz URXNNZHBHWGDDS-MVVMVCHASA-N 2 0 283.419 2.640 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924578673 647999613 /nfs/dbraw/zinc/99/96/13/647999613.db2.gz OUDUKFDSIQUWTJ-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO[C@H]1C ZINC000924607072 648006598 /nfs/dbraw/zinc/00/65/98/648006598.db2.gz PQRVBJHCKALWFJ-MPGHIAIKSA-N 2 0 288.435 2.795 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000924617264 648009755 /nfs/dbraw/zinc/00/97/55/648009755.db2.gz LQGXDGWKGZFYCJ-CQSZACIVSA-N 2 0 278.444 2.600 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924631268 648013265 /nfs/dbraw/zinc/01/32/65/648013265.db2.gz FXDGDORSBJSKMG-MRXNPFEDSA-N 2 0 297.531 2.919 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924661569 648021665 /nfs/dbraw/zinc/02/16/65/648021665.db2.gz NPRUQQOGBRYEIO-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cn(C)cn1 ZINC000924685449 648027033 /nfs/dbraw/zinc/02/70/33/648027033.db2.gz IWIWWOMCFGTPEZ-GJZGRUSLSA-N 2 0 278.444 2.725 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924699904 648030880 /nfs/dbraw/zinc/03/08/80/648030880.db2.gz VGDJXUDQIFNLNR-HZMVEIRTSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924714220 648033278 /nfs/dbraw/zinc/03/32/78/648033278.db2.gz WZIYJAOXTKYSRG-NVXWUHKLSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000924725930 648036852 /nfs/dbraw/zinc/03/68/52/648036852.db2.gz IRBGZGJVQSATSM-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)C[C@](C)(O)CC)C1 ZINC000924754600 648042400 /nfs/dbraw/zinc/04/24/00/648042400.db2.gz UKHVZWRAHRUQLQ-OWCLPIDISA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccnn1C1CCC1 ZINC000924855843 648060617 /nfs/dbraw/zinc/06/06/17/648060617.db2.gz UILSYBPACRPOEF-CYBMUJFWSA-N 2 0 264.417 2.601 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1(Cl)CC1 ZINC000924861997 648062378 /nfs/dbraw/zinc/06/23/78/648062378.db2.gz NVSHRUYDLYTKFU-CYBMUJFWSA-N 2 0 296.842 2.877 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000924956179 648078707 /nfs/dbraw/zinc/07/87/07/648078707.db2.gz UUIQOFWIGXWWSG-AWEZNQCLSA-N 2 0 290.455 2.991 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924955632 648078945 /nfs/dbraw/zinc/07/89/45/648078945.db2.gz PTOPDVHPXSUJDV-AWEZNQCLSA-N 2 0 290.455 2.991 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924956451 648079716 /nfs/dbraw/zinc/07/97/16/648079716.db2.gz WPAKPIYAUMDFHA-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959305 648079982 /nfs/dbraw/zinc/07/99/82/648079982.db2.gz JXOJCWNPZKSAAL-ULQDDVLXSA-N 2 0 282.472 2.758 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924966729 648081904 /nfs/dbraw/zinc/08/19/04/648081904.db2.gz UKBJQVJNRBLEED-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1nonc1[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048962 648094060 /nfs/dbraw/zinc/09/40/60/648094060.db2.gz PGZMNOPNPZUWSJ-ZDUSSCGKSA-N 2 0 280.416 2.685 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048664 648094213 /nfs/dbraw/zinc/09/42/13/648094213.db2.gz JSLLYAKNVIDTFI-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1CCCCN1CC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925050027 648095657 /nfs/dbraw/zinc/09/56/57/648095657.db2.gz CBFPFCAGDMLAFQ-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC(NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000925175716 648122911 /nfs/dbraw/zinc/12/29/11/648122911.db2.gz GZYNZYNYIWGEPT-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000925223089 648135371 /nfs/dbraw/zinc/13/53/71/648135371.db2.gz VGEIVCNGKNPFLG-BBWFWOEESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO[C@H]1C ZINC000925230605 648137158 /nfs/dbraw/zinc/13/71/58/648137158.db2.gz YSWQOUVZEIHJCG-UCMFOZJVSA-N 2 0 280.456 2.797 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000925241208 648139827 /nfs/dbraw/zinc/13/98/27/648139827.db2.gz NPBRWFNDAWKHBD-SSHXOBKSSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000925239549 648139923 /nfs/dbraw/zinc/13/99/23/648139923.db2.gz GBWGDEAIOLWTFO-DLBZAZTESA-N 2 0 290.451 2.929 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000925250818 648142908 /nfs/dbraw/zinc/14/29/08/648142908.db2.gz VCHJSLSCVYNVTP-YOEHRIQHSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1(Cl)CC1 ZINC000925436124 648168734 /nfs/dbraw/zinc/16/87/34/648168734.db2.gz DAFZHGKWWXAGPK-MCIONIFRSA-N 2 0 288.863 2.625 20 0 CFADRP CN(CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925484239 648180938 /nfs/dbraw/zinc/18/09/38/648180938.db2.gz CYFZKAVRMNYMKG-HZPDHXFCSA-N 2 0 291.414 2.512 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925487791 648181895 /nfs/dbraw/zinc/18/18/95/648181895.db2.gz FRSRVTXHQVPTMY-IAGOWNOFSA-N 2 0 282.472 2.951 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925492446 648182481 /nfs/dbraw/zinc/18/24/81/648182481.db2.gz ISNLHQDPVCQIOE-DFBGVHRSSA-N 2 0 262.372 2.789 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000925492802 648182959 /nfs/dbraw/zinc/18/29/59/648182959.db2.gz NJJQIKFJXBOWAV-GDWYVASHSA-N 2 0 270.420 2.766 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925503953 648188117 /nfs/dbraw/zinc/18/81/17/648188117.db2.gz OIZXLEJIGKDYEM-QKPAOTATSA-N 2 0 293.499 2.602 20 0 CFADRP CSCCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925505824 648188926 /nfs/dbraw/zinc/18/89/26/648188926.db2.gz STWMZOGRPJXDIY-GJZGRUSLSA-N 2 0 270.486 2.888 20 0 CFADRP C(COC1CCCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925508990 648190406 /nfs/dbraw/zinc/19/04/06/648190406.db2.gz KXDHWEBHMSUQHB-IRXDYDNUSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C12CCC2 ZINC000925515421 648193939 /nfs/dbraw/zinc/19/39/39/648193939.db2.gz IFYBSYFQUQWJDT-APIJFGDWSA-N 2 0 280.456 2.830 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccccc1 ZINC000925517022 648194386 /nfs/dbraw/zinc/19/43/86/648194386.db2.gz WUPOMMCZYDQPGJ-JKSUJKDBSA-N 2 0 290.432 2.851 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccsc1 ZINC000925518555 648195529 /nfs/dbraw/zinc/19/55/29/648195529.db2.gz ZCXKOIJMIWENNQ-ARFHVFGLSA-N 2 0 294.464 2.539 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925520401 648196538 /nfs/dbraw/zinc/19/65/38/648196538.db2.gz GCWXRMDUGODBJZ-HOTGVXAUSA-N 2 0 258.409 2.705 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Cc1cccs1 ZINC000925519177 648196834 /nfs/dbraw/zinc/19/68/34/648196834.db2.gz SSBFFTDPAPSVBF-IACUBPJLSA-N 2 0 264.438 2.786 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925520642 648197464 /nfs/dbraw/zinc/19/74/64/648197464.db2.gz MJDQYCUYJDJPLK-HOTGVXAUSA-N 2 0 288.435 2.832 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925521490 648197476 /nfs/dbraw/zinc/19/74/76/648197476.db2.gz CVBSMAVUMQRWKR-FVQBIDKESA-N 2 0 274.408 2.622 20 0 CFADRP CCc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)on1 ZINC000925524247 648199889 /nfs/dbraw/zinc/19/98/89/648199889.db2.gz ZGRRKAIIQJRTCO-INIZCTEOSA-N 2 0 273.380 2.807 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528225 648201653 /nfs/dbraw/zinc/20/16/53/648201653.db2.gz ZULUIAIIILYEHF-SJORKVTESA-N 2 0 289.467 2.744 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCC2 ZINC000925529620 648202117 /nfs/dbraw/zinc/20/21/17/648202117.db2.gz ZYKSRIAWNDJEKB-MSOLQXFVSA-N 3 0 299.462 2.642 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925530143 648202316 /nfs/dbraw/zinc/20/23/16/648202316.db2.gz JYILFGKPNJUSNO-MJBXVCDLSA-N 2 0 268.470 2.925 20 0 CFADRP c1ccc(C2(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CCC2)cc1 ZINC000925532768 648203282 /nfs/dbraw/zinc/20/32/82/648203282.db2.gz HZVHSHOYTHHDRB-GCDKYVQMSA-N 2 0 282.431 2.694 20 0 CFADRP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CCCSC2)C1 ZINC000925531679 648203638 /nfs/dbraw/zinc/20/36/38/648203638.db2.gz SGRFCITUYGMLPR-KFWWJZLASA-N 2 0 268.470 2.640 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000925536941 648205710 /nfs/dbraw/zinc/20/57/10/648205710.db2.gz TXYZCQKNAYLUKI-DCAQKATOSA-N 2 0 264.335 2.838 20 0 CFADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541374 648208057 /nfs/dbraw/zinc/20/80/57/648208057.db2.gz HWTVPTOSBQZFIL-JCYILVPMSA-N 3 0 291.483 2.658 20 0 CFADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925542718 648208889 /nfs/dbraw/zinc/20/88/89/648208889.db2.gz OMEUBDUNFSUEQO-LLLHUVSDSA-N 2 0 275.440 2.537 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOc1ccccc1F ZINC000925545792 648210289 /nfs/dbraw/zinc/21/02/89/648210289.db2.gz KZXSAIKCUNEIFS-HFZWIWRYSA-N 2 0 292.398 2.700 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c[nH]c2c1 ZINC000925549248 648212816 /nfs/dbraw/zinc/21/28/16/648212816.db2.gz WGZXNJLAZMQZPP-FUUSMOTLSA-N 2 0 295.430 2.605 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925554038 648213534 /nfs/dbraw/zinc/21/35/34/648213534.db2.gz VHWUQCXYDXDWKP-DLBZAZTESA-N 3 0 293.499 2.905 20 0 CFADRP COCCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925555296 648214166 /nfs/dbraw/zinc/21/41/66/648214166.db2.gz GJNPKPSDKIXJNJ-ILXRZTDVSA-N 2 0 280.456 2.559 20 0 CFADRP COCCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925555297 648214748 /nfs/dbraw/zinc/21/47/48/648214748.db2.gz GJNPKPSDKIXJNJ-QLFBSQMISA-N 2 0 280.456 2.559 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CCCC1 ZINC000925558039 648215406 /nfs/dbraw/zinc/21/54/06/648215406.db2.gz RPYAGXXNJUIJLB-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925566020 648219353 /nfs/dbraw/zinc/21/93/53/648219353.db2.gz BPMUIPCJWHWRQN-CHWSQXEVSA-N 2 0 279.453 2.634 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1C ZINC000925567537 648220949 /nfs/dbraw/zinc/22/09/49/648220949.db2.gz OWHATGMNFGVUMX-KBPBESRZSA-N 2 0 278.444 2.515 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925570932 648222643 /nfs/dbraw/zinc/22/26/43/648222643.db2.gz ZHGVKMZSEXVBOC-CRAIPNDOSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(Cl)c1 ZINC000925573315 648223488 /nfs/dbraw/zinc/22/34/88/648223488.db2.gz MUEIZKVFSWPDOK-KCPJHIHWSA-N 2 0 294.826 2.967 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925577357 648224590 /nfs/dbraw/zinc/22/45/90/648224590.db2.gz RALVFCPISXIDDH-QXSJWSMHSA-N 2 0 282.472 2.933 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576652 648224609 /nfs/dbraw/zinc/22/46/09/648224609.db2.gz YGNSRFZJGQENOB-XBVQOTNRSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000925578469 648225733 /nfs/dbraw/zinc/22/57/33/648225733.db2.gz FGIXIGSQWNZGFY-PASATYPHSA-N 2 0 286.419 2.799 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1Cl ZINC000925584021 648227681 /nfs/dbraw/zinc/22/76/81/648227681.db2.gz OUCCENXNBPYSJG-QLFBSQMISA-N 2 0 294.826 2.887 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C12CCC2 ZINC000925594714 648231546 /nfs/dbraw/zinc/23/15/46/648231546.db2.gz QMRJQTLVWDZVHA-RBSFLKMASA-N 2 0 260.356 2.673 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[NH2+]C3(C)C)CC2)CC1 ZINC000925605863 648236824 /nfs/dbraw/zinc/23/68/24/648236824.db2.gz GLIIVHMZKKANBS-JCYILVPMSA-N 2 0 293.499 2.760 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H](C)[C@H]1OC ZINC000925615500 648240416 /nfs/dbraw/zinc/24/04/16/648240416.db2.gz NORHYNVUWUWFTM-XLWJZTARSA-N 2 0 280.456 2.686 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925614783 648240486 /nfs/dbraw/zinc/24/04/86/648240486.db2.gz KRWDVYXMHCUQDJ-TUVASFSCSA-N 2 0 268.445 2.686 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000925616498 648241258 /nfs/dbraw/zinc/24/12/58/648241258.db2.gz MJCGCFAAZPQDFU-KKUMJFAQSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000925619563 648242375 /nfs/dbraw/zinc/24/23/75/648242375.db2.gz PBWRPAOKLXMKOE-IJLVLRJLSA-N 2 0 258.356 2.670 20 0 CFADRP Cc1cc(C[C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)[nH]n1 ZINC000925619651 648242668 /nfs/dbraw/zinc/24/26/68/648242668.db2.gz QDJLISXCPUTZDG-CXAGYDPISA-N 2 0 286.423 2.719 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)[nH]n1 ZINC000925619653 648242780 /nfs/dbraw/zinc/24/27/80/648242780.db2.gz QDJLISXCPUTZDG-GUYCJALGSA-N 2 0 286.423 2.719 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925626724 648246353 /nfs/dbraw/zinc/24/63/53/648246353.db2.gz SZZNPDXVLJISQK-MJBXVCDLSA-N 2 0 270.461 2.525 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000925626313 648246463 /nfs/dbraw/zinc/24/64/63/648246463.db2.gz PSAVPPHSZOCWLO-INIZCTEOSA-N 2 0 258.409 2.522 20 0 CFADRP CC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)Cc2ccccc2C1 ZINC000925628243 648247716 /nfs/dbraw/zinc/24/77/16/648247716.db2.gz CCTYXHZOVXIFOM-HNNXBMFYSA-N 2 0 258.409 2.522 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)c21 ZINC000925630108 648249840 /nfs/dbraw/zinc/24/98/40/648249840.db2.gz QXPVWXQXNJKUHX-HZPDHXFCSA-N 2 0 299.418 2.579 20 0 CFADRP CC1(C)[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632052 648250900 /nfs/dbraw/zinc/25/09/00/648250900.db2.gz ZIQUIMSIHAWHHD-AGIUHOORSA-N 2 0 272.383 2.931 20 0 CFADRP CC(C)OCCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925632819 648250915 /nfs/dbraw/zinc/25/09/15/648250915.db2.gz BDNQRZWNHFQBPQ-KGLIPLIRSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925637136 648254505 /nfs/dbraw/zinc/25/45/05/648254505.db2.gz IGJKDWWFOVYFOB-DGXTUMSLSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925636518 648254601 /nfs/dbraw/zinc/25/46/01/648254601.db2.gz CKNIHYZRKGMBCU-APIJFGDWSA-N 2 0 268.445 2.687 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925637157 648255252 /nfs/dbraw/zinc/25/52/52/648255252.db2.gz IJMUGKPNKNJDRJ-NWDGAFQWSA-N 2 0 256.459 2.638 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925643580 648258220 /nfs/dbraw/zinc/25/82/20/648258220.db2.gz FYBJUSPJNJJXRH-LSDHHAIUSA-N 2 0 276.449 2.909 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000925646045 648258881 /nfs/dbraw/zinc/25/88/81/648258881.db2.gz SATPLJQPPPNORU-CVEARBPZSA-N 2 0 260.381 2.749 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCOC(F)(F)F)c1ccccc1 ZINC000925648830 648260305 /nfs/dbraw/zinc/26/03/05/648260305.db2.gz GMQNEXBPJNOEJP-LBPRGKRZSA-N 2 0 276.302 2.593 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925651236 648261557 /nfs/dbraw/zinc/26/15/57/648261557.db2.gz YUWZGLMWSKQUNF-MXWKQRLJSA-N 2 0 264.335 2.967 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925650929 648261901 /nfs/dbraw/zinc/26/19/01/648261901.db2.gz SMLNBSDJXPZKPN-TUKIKUTGSA-N 2 0 294.826 2.967 20 0 CFADRP C[C@@H]1CC(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C[C@@H](C)O1 ZINC000925655159 648264197 /nfs/dbraw/zinc/26/41/97/648264197.db2.gz QJKDFEYRGQXNMM-RJZRQDKASA-N 2 0 268.445 2.686 20 0 CFADRP CSC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925656190 648264827 /nfs/dbraw/zinc/26/48/27/648264827.db2.gz IAMATXRGFMKVJB-AGIUHOORSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655203 648265019 /nfs/dbraw/zinc/26/50/19/648265019.db2.gz QZPPPTWQBDLELD-YVSFHVDLSA-N 2 0 294.483 2.541 20 0 CFADRP C[C@@](O)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCCC1 ZINC000925656016 648265324 /nfs/dbraw/zinc/26/53/24/648265324.db2.gz CYPQYSCHLWLVQM-MUQADHOPSA-N 2 0 294.483 2.684 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925656570 648265433 /nfs/dbraw/zinc/26/54/33/648265433.db2.gz YLWPRRCVUZVNDJ-QOJRLFKQSA-N 2 0 282.431 2.827 20 0 CFADRP COCC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925664039 648269502 /nfs/dbraw/zinc/26/95/02/648269502.db2.gz XSCOINGVFRMHNP-MRXNPFEDSA-N 2 0 276.424 2.873 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[C@@H]([NH3+])C1 ZINC000925668103 648271034 /nfs/dbraw/zinc/27/10/34/648271034.db2.gz USPYOIGHISNMOH-CABCVRRESA-N 2 0 286.423 2.601 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1OCCc2sccc21 ZINC000925671511 648273241 /nfs/dbraw/zinc/27/32/41/648273241.db2.gz CWOVQUWPNLODHS-BSLXNSKLSA-N 2 0 292.448 2.610 20 0 CFADRP c1ccc([C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C2CC2)cc1 ZINC000925674341 648274606 /nfs/dbraw/zinc/27/46/06/648274606.db2.gz QXBDTJHEERJVFG-VIUKOLAESA-N 2 0 282.431 2.766 20 0 CFADRP COc1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)ccc1Cl ZINC000925677174 648275249 /nfs/dbraw/zinc/27/52/49/648275249.db2.gz VSXOQWGZXSIBNW-CABCVRRESA-N 2 0 294.826 2.751 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCSC2)C[C@@H]([NH3+])C1 ZINC000925675646 648275753 /nfs/dbraw/zinc/27/57/53/648275753.db2.gz XVGUYONLSJIPPO-UPJWGTAASA-N 2 0 256.459 2.625 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000925676968 648275853 /nfs/dbraw/zinc/27/58/53/648275853.db2.gz MTSRHFDFFRHDBT-HOTGVXAUSA-N 3 0 281.488 2.748 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)C1 ZINC000925678017 648276714 /nfs/dbraw/zinc/27/67/14/648276714.db2.gz SCVGGZKAASSOTI-ARFHVFGLSA-N 2 0 282.472 2.671 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925681214 648276892 /nfs/dbraw/zinc/27/68/92/648276892.db2.gz UGJPTHNYZADWPO-CDMOGMFXSA-N 2 0 282.431 2.693 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925679275 648277187 /nfs/dbraw/zinc/27/71/87/648277187.db2.gz IWWLCFHDTNZQON-UONOGXRCSA-N 2 0 275.440 2.855 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CC12CCOCC2)c1ccccc1 ZINC000925682413 648277878 /nfs/dbraw/zinc/27/78/78/648277878.db2.gz WPKHYZPQPCWIQV-DLBZAZTESA-N 2 0 288.435 2.873 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925682888 648278210 /nfs/dbraw/zinc/27/82/10/648278210.db2.gz HDADJVBIKQIPKA-RNJOBUHISA-N 2 0 272.383 2.788 20 0 CFADRP CC1(C)CCCN1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925685371 648279336 /nfs/dbraw/zinc/27/93/36/648279336.db2.gz LRVPGYLFYJHCQU-KRWDZBQOSA-N 2 0 289.467 2.931 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)c1 ZINC000925689581 648281211 /nfs/dbraw/zinc/28/12/11/648281211.db2.gz SIVXDLHAKZJWJW-QOJRLFKQSA-N 2 0 298.430 2.527 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CS1 ZINC000925693461 648282772 /nfs/dbraw/zinc/28/27/72/648282772.db2.gz COIDQBHDYKFUHJ-BEAPCOKYSA-N 2 0 268.470 2.638 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925693546 648283109 /nfs/dbraw/zinc/28/31/09/648283109.db2.gz SJKJWWQXRAWPBO-HXSCFSKGSA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1(F)F ZINC000925706514 648288920 /nfs/dbraw/zinc/28/89/20/648288920.db2.gz KSVSNVUDXTZGFE-WYUUTHIRSA-N 2 0 272.383 2.644 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925709271 648290368 /nfs/dbraw/zinc/29/03/68/648290368.db2.gz HNIZYNNTNTXLRV-RDJZCZTQSA-N 2 0 277.456 2.642 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(F)F ZINC000925709871 648290423 /nfs/dbraw/zinc/29/04/23/648290423.db2.gz OXXVUPUFXZGYTF-UHXUPSOCSA-N 2 0 272.383 2.788 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925710001 648290689 /nfs/dbraw/zinc/29/06/89/648290689.db2.gz XHDWNBLXAQUPMA-CPCZMJQVSA-N 2 0 270.367 2.829 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925710522 648290803 /nfs/dbraw/zinc/29/08/03/648290803.db2.gz XHDWNBLXAQUPMA-OTTFEQOBSA-N 2 0 270.367 2.829 20 0 CFADRP C[C@@]1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925711137 648291446 /nfs/dbraw/zinc/29/14/46/648291446.db2.gz SRWWKMHBJMQOIZ-VXGBXAGGSA-N 2 0 258.356 2.686 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C[C@@H]([NH3+])C1 ZINC000925711622 648291516 /nfs/dbraw/zinc/29/15/16/648291516.db2.gz UDPPOLHBZXSQSJ-SBJFKYEJSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925711593 648291560 /nfs/dbraw/zinc/29/15/60/648291560.db2.gz NEQXUIASZNGJLO-MWNCTCPHSA-N 2 0 256.393 2.574 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C[C@@]1(F)Cl ZINC000925711346 648291672 /nfs/dbraw/zinc/29/16/72/648291672.db2.gz MRBSUOMPPMDJKK-OBJOEFQTSA-N 2 0 274.811 2.955 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)C12CCC2 ZINC000925711269 648291847 /nfs/dbraw/zinc/29/18/47/648291847.db2.gz ZDAYGPSPKOUTCK-HUUCEWRRSA-N 2 0 256.349 2.792 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925712513 648293006 /nfs/dbraw/zinc/29/30/06/648293006.db2.gz HNDWTIBDKJDNMT-VNHYZAJKSA-N 2 0 261.413 2.508 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000925716612 648294857 /nfs/dbraw/zinc/29/48/57/648294857.db2.gz FGLNECSBYRZDRX-IXDOHACOSA-N 2 0 274.408 2.624 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000925716402 648294945 /nfs/dbraw/zinc/29/49/45/648294945.db2.gz QCWQGHIMGQHDNE-CHWSQXEVSA-N 2 0 250.386 2.708 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@]2(C)C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925717011 648296038 /nfs/dbraw/zinc/29/60/38/648296038.db2.gz HSIJEENPDKXDLL-BMNMPBFRSA-N 2 0 262.441 2.789 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925720852 648296642 /nfs/dbraw/zinc/29/66/42/648296642.db2.gz VFNFAEJVPWBYFY-DZGCQCFKSA-N 2 0 273.424 2.527 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000925721554 648296695 /nfs/dbraw/zinc/29/66/95/648296695.db2.gz DYFITAJTZRCTOF-JKSUJKDBSA-N 2 0 288.435 2.755 20 0 CFADRP CC1(C)CO[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925728125 648299817 /nfs/dbraw/zinc/29/98/17/648299817.db2.gz BCQSXXZDDIINTR-HOTGVXAUSA-N 2 0 276.424 2.871 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000925733593 648301622 /nfs/dbraw/zinc/30/16/22/648301622.db2.gz KNPJLOUFZFFFAF-JONQDZQNSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000925734292 648301831 /nfs/dbraw/zinc/30/18/31/648301831.db2.gz PZYZKQGISQBTIV-SNVBAGLBSA-N 2 0 283.366 2.935 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1OC ZINC000925736569 648302915 /nfs/dbraw/zinc/30/29/15/648302915.db2.gz BOGDDLNDYVMENF-LBPRGKRZSA-N 2 0 280.412 2.790 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925734568 648303507 /nfs/dbraw/zinc/30/35/07/648303507.db2.gz AVTSIPIEICCNAR-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000925739133 648304721 /nfs/dbraw/zinc/30/47/21/648304721.db2.gz TUXOGEOAZIZYJR-APHBMKBZSA-N 2 0 276.424 2.904 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925737530 648304751 /nfs/dbraw/zinc/30/47/51/648304751.db2.gz QSUNUVRFKOQIFL-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1OC ZINC000925739302 648304897 /nfs/dbraw/zinc/30/48/97/648304897.db2.gz VBMKIMHHNUAVNT-LBPRGKRZSA-N 2 0 294.439 2.660 20 0 CFADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000925741321 648305335 /nfs/dbraw/zinc/30/53/35/648305335.db2.gz QLARDDOVZXPSIM-CYBMUJFWSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1N(C)C ZINC000925742908 648306749 /nfs/dbraw/zinc/30/67/49/648306749.db2.gz YRXOJAKTNDHPQJ-LLVKDONJSA-N 2 0 267.392 2.670 20 0 CFADRP CCC1([NH3+])CCN([C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925760094 648311866 /nfs/dbraw/zinc/31/18/66/648311866.db2.gz JPNGHFFEPNRFMW-HRCADAONSA-N 2 0 279.472 2.501 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC2(CCC2)CO1 ZINC000925775062 648317837 /nfs/dbraw/zinc/31/78/37/648317837.db2.gz ZPCIVBNCHUHVCP-IXDOHACOSA-N 2 0 292.467 2.704 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000925776368 648319193 /nfs/dbraw/zinc/31/91/93/648319193.db2.gz XMQHMCPBLWHNRG-LSDHHAIUSA-N 2 0 280.387 2.626 20 0 CFADRP CC1(C)CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925782077 648321490 /nfs/dbraw/zinc/32/14/90/648321490.db2.gz KOIUJYOPQDTRJA-NEPJUHHUSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000925784591 648321893 /nfs/dbraw/zinc/32/18/93/648321893.db2.gz JHHPCRMMPYRUSG-IFUGULHKSA-N 2 0 264.800 2.772 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000925785915 648322740 /nfs/dbraw/zinc/32/27/40/648322740.db2.gz QIGQJHVCFRFRHV-SIXLDLHFSA-N 2 0 258.409 2.768 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000925784508 648323580 /nfs/dbraw/zinc/32/35/80/648323580.db2.gz RKWGFIIRGYWUTB-KBRIMQKVSA-N 2 0 258.409 2.514 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000925790400 648323994 /nfs/dbraw/zinc/32/39/94/648323994.db2.gz IGONNIYIKNZRTL-XUJVJEKNSA-N 2 0 294.826 2.999 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000925792851 648325138 /nfs/dbraw/zinc/32/51/38/648325138.db2.gz WMDNHQIDHUTWDW-FOGDFJRCSA-N 2 0 270.779 2.985 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000925797977 648326383 /nfs/dbraw/zinc/32/63/83/648326383.db2.gz JAHWNDGTGLHQJW-DVOMOZLQSA-N 2 0 274.408 2.518 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)COC2 ZINC000925799231 648327442 /nfs/dbraw/zinc/32/74/42/648327442.db2.gz OJLRRTMHFLOMRC-VNHYZAJKSA-N 2 0 274.408 2.613 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000925801650 648327578 /nfs/dbraw/zinc/32/75/78/648327578.db2.gz WDPKFZLWQDPSOB-BFYDXBDKSA-N 2 0 298.434 2.769 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799041 648327602 /nfs/dbraw/zinc/32/76/02/648327602.db2.gz SPBXGJIGIVRVOW-TZDHZFECSA-N 2 0 258.409 2.755 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802226 648328208 /nfs/dbraw/zinc/32/82/08/648328208.db2.gz YZJYAMUTLQQCMP-DDUZABMNSA-N 2 0 288.435 2.908 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000925803008 648328384 /nfs/dbraw/zinc/32/83/84/648328384.db2.gz LUYDTVZGXGRBHA-MRRJBJDNSA-N 2 0 274.408 2.605 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccnn1-c1ccccc1 ZINC000925802442 648328474 /nfs/dbraw/zinc/32/84/74/648328474.db2.gz GYVASKMTDSWNNB-OWCLPIDISA-N 2 0 298.434 2.769 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC12CCCC2 ZINC000925803820 648328503 /nfs/dbraw/zinc/32/85/03/648328503.db2.gz VUKURZSZFBZFLH-KFWWJZLASA-N 2 0 250.430 2.935 20 0 CFADRP CC[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925806001 648328950 /nfs/dbraw/zinc/32/89/50/648328950.db2.gz ANVNQDVWHGAPSU-IAGOWNOFSA-N 2 0 282.472 2.951 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)C[C@@H]([NH3+])C1 ZINC000925805359 648328974 /nfs/dbraw/zinc/32/89/74/648328974.db2.gz HQWFLDQGCGSQDN-RHYQMDGZSA-N 2 0 294.361 2.592 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808386 648329819 /nfs/dbraw/zinc/32/98/19/648329819.db2.gz NHUHBIBEHPWWAH-IRXDYDNUSA-N 3 0 281.488 2.654 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925808599 648329906 /nfs/dbraw/zinc/32/99/06/648329906.db2.gz ZBVXUEDHNSJPSK-HOCLYGCPSA-N 2 0 273.424 2.568 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808969 648330102 /nfs/dbraw/zinc/33/01/02/648330102.db2.gz FRYHUEXPNNJCLT-GOSISDBHSA-N 2 0 289.467 2.713 20 0 CFADRP CC(C)c1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808708 648330239 /nfs/dbraw/zinc/33/02/39/648330239.db2.gz DITFXDJETVRPPC-HNNXBMFYSA-N 2 0 289.467 2.884 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000925809790 648330887 /nfs/dbraw/zinc/33/08/87/648330887.db2.gz WWEXHIIWHREVSP-NVXWUHKLSA-N 2 0 282.472 2.951 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809459 648331001 /nfs/dbraw/zinc/33/10/01/648331001.db2.gz VSEZJQUUBSNIDQ-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000925809792 648331148 /nfs/dbraw/zinc/33/11/48/648331148.db2.gz WWEXHIIWHREVSP-WBVHZDCISA-N 2 0 282.472 2.951 20 0 CFADRP CCOC[C@@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925817158 648332669 /nfs/dbraw/zinc/33/26/69/648332669.db2.gz MRIILBIPHZWJLS-CQSZACIVSA-N 2 0 256.434 2.561 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925820462 648333520 /nfs/dbraw/zinc/33/35/20/648333520.db2.gz CSZIEKUDGBUVKR-NALMEZQBSA-N 3 0 293.499 2.904 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925824773 648334167 /nfs/dbraw/zinc/33/41/67/648334167.db2.gz VSPKEEFSIVFVIP-YTMVEMIDSA-N 2 0 259.397 2.544 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1C ZINC000925830530 648336727 /nfs/dbraw/zinc/33/67/27/648336727.db2.gz RLDWKMKGKDBHEM-ZFWWWQNUSA-N 2 0 262.397 2.796 20 0 CFADRP c1ccc2ncc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000925833029 648337174 /nfs/dbraw/zinc/33/71/74/648337174.db2.gz QAPMCCASHVQGFR-RCCFBDPRSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])ccc2O1 ZINC000925831720 648337694 /nfs/dbraw/zinc/33/76/94/648337694.db2.gz LBZBINUDDSWWOI-INWMFGNUSA-N 2 0 274.408 2.617 20 0 CFADRP [NH3+]C1CCC([NH2+]CCc2cnc3ccccc3c2)CC1 ZINC000925835059 648338618 /nfs/dbraw/zinc/33/86/18/648338618.db2.gz LSOWCBIGYNPBLU-UHFFFAOYSA-N 2 0 269.392 2.637 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841280 648341270 /nfs/dbraw/zinc/34/12/70/648341270.db2.gz NTCBHEOVUGGAAV-NUEKZKHPSA-N 2 0 260.381 2.779 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842352 648342037 /nfs/dbraw/zinc/34/20/37/648342037.db2.gz JCESEGHBCDZNFK-KBRIMQKVSA-N 2 0 276.399 2.879 20 0 CFADRP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccs1 ZINC000925848149 648344212 /nfs/dbraw/zinc/34/42/12/648344212.db2.gz AXFZMCKTPOPTSZ-OAHLLOKOSA-N 2 0 295.496 2.864 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCS2 ZINC000925856334 648346102 /nfs/dbraw/zinc/34/61/02/648346102.db2.gz FIAKOBAFWNZPSF-CHWSQXEVSA-N 2 0 266.454 2.679 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925861475 648348046 /nfs/dbraw/zinc/34/80/46/648348046.db2.gz QFUNBAIHMGQDMO-RDBSUJKOSA-N 2 0 268.470 2.782 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000925862270 648348266 /nfs/dbraw/zinc/34/82/66/648348266.db2.gz ZMKBHALZERCOGE-GMXVVIOVSA-N 2 0 279.453 2.783 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1OC ZINC000925877383 648353000 /nfs/dbraw/zinc/35/30/00/648353000.db2.gz QHIZYYWWXGJNQS-UKRRQHHQSA-N 2 0 292.423 2.619 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000925877917 648353092 /nfs/dbraw/zinc/35/30/92/648353092.db2.gz YHQBZZGDTARDDG-FOGDFJRCSA-N 2 0 254.324 2.743 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877738 648353354 /nfs/dbraw/zinc/35/33/54/648353354.db2.gz WBZIADOSBHJQSV-MJBXVCDLSA-N 2 0 262.397 2.782 20 0 CFADRP c1ccc2c(c1)CCO[C@@H]2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925882159 648354444 /nfs/dbraw/zinc/35/44/44/648354444.db2.gz YBUWADYIALZNQQ-IXEWLPCDSA-N 2 0 286.419 2.563 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CCCC1 ZINC000926166155 648421630 /nfs/dbraw/zinc/42/16/30/648421630.db2.gz HPHAZCUQTQEWOF-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)O)c1cccc(C[NH+](C)C)c1 ZINC000926213571 648435895 /nfs/dbraw/zinc/43/58/95/648435895.db2.gz RSLXDZPJWFOKLA-ZDUSSCGKSA-N 2 0 264.413 2.560 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000926232156 648443944 /nfs/dbraw/zinc/44/39/44/648443944.db2.gz SAYSEFOIFIQUMP-INIZCTEOSA-N 2 0 266.429 2.779 20 0 CFADRP C([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311280 648459597 /nfs/dbraw/zinc/45/95/97/648459597.db2.gz XXHKMXQYRNTRIY-WMZOPIPTSA-N 2 0 292.467 2.656 20 0 CFADRP COc1ccnc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000926310860 648459616 /nfs/dbraw/zinc/45/96/16/648459616.db2.gz WIHAXXJTUIZOPX-ZDUSSCGKSA-N 2 0 289.423 2.615 20 0 CFADRP C[C@@H]([NH2+]CCN1CC=CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926337327 648465333 /nfs/dbraw/zinc/46/53/33/648465333.db2.gz KXYYIQFBKKUAAW-MRXNPFEDSA-N 2 0 287.451 2.661 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCOC[C@H]2C)CC1 ZINC000926411231 648480298 /nfs/dbraw/zinc/48/02/98/648480298.db2.gz RHSHVNHQELQNPL-HZPDHXFCSA-N 2 0 282.472 2.759 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926415880 648481511 /nfs/dbraw/zinc/48/15/11/648481511.db2.gz DIAUBZQKLRMKCV-WIGRTHMWSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486865 648505898 /nfs/dbraw/zinc/50/58/98/648505898.db2.gz KZZWZARJDMTZSA-INIZCTEOSA-N 2 0 275.440 2.868 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000926518366 648516509 /nfs/dbraw/zinc/51/65/09/648516509.db2.gz HKOPVMLPZZNERD-MBYGNEARSA-N 2 0 277.239 2.500 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(C[NH+](C)C)c1 ZINC000926517192 648516934 /nfs/dbraw/zinc/51/69/34/648516934.db2.gz WUBVVDLHPXIHLE-UONOGXRCSA-N 2 0 278.440 2.948 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CC1 ZINC000926559489 648533738 /nfs/dbraw/zinc/53/37/38/648533738.db2.gz OVMTYTFAMGCUMI-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccnc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000926559123 648533783 /nfs/dbraw/zinc/53/37/83/648533783.db2.gz MFQNXRBXWBTGLS-CYBMUJFWSA-N 2 0 277.412 2.615 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@@H](O)C(C)C ZINC000926590004 648544286 /nfs/dbraw/zinc/54/42/86/648544286.db2.gz WYYJAZPATLPZEV-SJORKVTESA-N 2 0 284.488 2.882 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCS[C@@H]2C)CC1 ZINC000926643620 648559817 /nfs/dbraw/zinc/55/98/17/648559817.db2.gz WAXKQHAZJITMRE-HIFRSBDPSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000926645508 648560342 /nfs/dbraw/zinc/56/03/42/648560342.db2.gz QCPVURHQCKBLAC-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926645091 648560473 /nfs/dbraw/zinc/56/04/73/648560473.db2.gz NWYCQACWLDJBLO-CVEARBPZSA-N 2 0 270.461 2.615 20 0 CFADRP C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926680972 648573465 /nfs/dbraw/zinc/57/34/65/648573465.db2.gz SXWGBWFYBPXZAE-GUYCJALGSA-N 2 0 276.424 2.560 20 0 CFADRP CC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926686637 648576226 /nfs/dbraw/zinc/57/62/26/648576226.db2.gz WWGKLPYQIGFKPT-HNSVSWJLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926692687 648578364 /nfs/dbraw/zinc/57/83/64/648578364.db2.gz JJPVFVWNXJRYQC-ZIAGYGMSSA-N 2 0 276.424 2.560 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000926709096 648584929 /nfs/dbraw/zinc/58/49/29/648584929.db2.gz ZAUSAACFGWDILJ-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc[nH]c(=O)c1 ZINC000926730956 648594340 /nfs/dbraw/zinc/59/43/40/648594340.db2.gz FDRXXLDZLMCQRE-CYBMUJFWSA-N 2 0 289.423 2.560 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)CO1 ZINC000926730637 648594402 /nfs/dbraw/zinc/59/44/02/648594402.db2.gz ARDVFVNYAQQALL-RWBZWWBESA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000926753465 648601946 /nfs/dbraw/zinc/60/19/46/648601946.db2.gz HSZUYAMIULYKJV-BRWVUGGUSA-N 2 0 282.472 2.639 20 0 CFADRP CCC[C@H](CCO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926776703 648611037 /nfs/dbraw/zinc/61/10/37/648611037.db2.gz DKWABXYWWWLCQC-OAHLLOKOSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ncco2)CC1 ZINC000926791143 648616820 /nfs/dbraw/zinc/61/68/20/648616820.db2.gz OPCZRYCEJCLGDE-ZDUSSCGKSA-N 2 0 265.401 2.836 20 0 CFADRP COCC1CC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926807545 648623839 /nfs/dbraw/zinc/62/38/39/648623839.db2.gz CFFZBLIYIRCKFF-KTAKPFMOSA-N 2 0 276.424 2.824 20 0 CFADRP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000926960877 648672066 /nfs/dbraw/zinc/67/20/66/648672066.db2.gz RCDUORQAFVXXBG-INMHGKMJSA-N 2 0 273.424 2.661 20 0 CFADRP CCC[C@H](O)CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000927020158 648685846 /nfs/dbraw/zinc/68/58/46/648685846.db2.gz IAXFGYDWYALMNL-INIZCTEOSA-N 2 0 270.461 2.638 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCS[C@@H](C)C2)CC1 ZINC000927030061 648688951 /nfs/dbraw/zinc/68/89/51/648688951.db2.gz HFFGSDTZQDWEII-GXTWGEPZSA-N 2 0 256.459 2.735 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927037407 648689700 /nfs/dbraw/zinc/68/97/00/648689700.db2.gz JQQHUZWLKAFZQW-PBHCIXSXSA-N 3 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927037410 648689750 /nfs/dbraw/zinc/68/97/50/648689750.db2.gz JQQHUZWLKAFZQW-RZZCCWGQSA-N 3 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@@H]2CCC[C@H]21 ZINC000927064524 648694267 /nfs/dbraw/zinc/69/42/67/648694267.db2.gz WJDXGDJZMLMSEA-LUKYLMHMSA-N 2 0 285.435 2.921 20 0 CFADRP COC[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000927096806 648710097 /nfs/dbraw/zinc/71/00/97/648710097.db2.gz HOWYPBZORHNKSG-AWEZNQCLSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)CC[N@@H+]1C ZINC000927115038 648717154 /nfs/dbraw/zinc/71/71/54/648717154.db2.gz KZFJLRGRNSJUBQ-NJAFHUGGSA-N 2 0 288.435 2.765 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccncc3)CC[C@@H]21 ZINC000929842841 649136325 /nfs/dbraw/zinc/13/63/25/649136325.db2.gz DIWAKBNEINKKOQ-HOCLYGCPSA-N 2 0 291.464 2.590 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)C[C@@H](O)c1cccc(C)c1 ZINC000930060141 649175453 /nfs/dbraw/zinc/17/54/53/649175453.db2.gz KFJPCIKJJBTMPU-QGZVFWFLSA-N 2 0 287.407 2.555 20 0 CFADRP CC(C)CSCCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440234 649427506 /nfs/dbraw/zinc/42/75/06/649427506.db2.gz SCZRRHANCAWCRT-LSDHHAIUSA-N 2 0 270.486 2.649 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(C)(C)C3CC3)C[C@@H]2C1 ZINC000931441094 649428201 /nfs/dbraw/zinc/42/82/01/649428201.db2.gz CENODAVOOGVPSC-KGLIPLIRSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931483624 649438600 /nfs/dbraw/zinc/43/86/00/649438600.db2.gz JRMRQILBLXLHDB-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000931485313 649439425 /nfs/dbraw/zinc/43/94/25/649439425.db2.gz DHRUADLSWVTGCT-UHFFFAOYSA-N 2 0 298.430 2.728 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931718338 649477921 /nfs/dbraw/zinc/47/79/21/649477921.db2.gz PBSSVPZVARAGOS-UPJWGTAASA-N 2 0 260.372 2.836 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3)C[C@]2(C)C1 ZINC000933746711 649719466 /nfs/dbraw/zinc/71/94/66/649719466.db2.gz ZQJAQRLYKJKCSL-SJORKVTESA-N 2 0 258.409 2.503 20 0 CFADRP CCC[C@@](C)([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000934180946 649757238 /nfs/dbraw/zinc/75/72/38/649757238.db2.gz YPTJVYMXKZLDAZ-IAGOWNOFSA-N 2 0 278.440 2.604 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2cc[nH]c(=O)c2)CC1 ZINC001243427453 782194539 /nfs/dbraw/zinc/19/45/39/782194539.db2.gz OFNVBIWDMHDEDS-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP Cc1c[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1N ZINC001165047428 721974634 /nfs/dbraw/zinc/97/46/34/721974634.db2.gz GXMYTGXEUGXBGM-OAHLLOKOSA-N 2 0 288.439 2.817 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3cc[nH]c(=O)c3)c2)CC1 ZINC001243427956 782195192 /nfs/dbraw/zinc/19/51/92/782195192.db2.gz RXUOJRNDGBXERT-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235949111 778622627 /nfs/dbraw/zinc/62/26/27/778622627.db2.gz XWYCLISODWNEHF-OKILXGFUSA-N 2 0 258.409 2.810 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N)cc1 ZINC001168360554 778482951 /nfs/dbraw/zinc/48/29/51/778482951.db2.gz SPJLDKFJSIUBPY-CYBMUJFWSA-N 2 0 273.424 2.794 20 0 CFADRP CCn1ccc2ccc(C[N@@H+]3CCC[C@H]3CC[NH3+])cc21 ZINC001235925264 778611635 /nfs/dbraw/zinc/61/16/35/778611635.db2.gz OBZPPQGFRJUDIO-INIZCTEOSA-N 2 0 271.408 2.974 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1CCCO1 ZINC001207887681 769825604 /nfs/dbraw/zinc/82/56/04/769825604.db2.gz PKZGYFGRDFQMHZ-HRCADAONSA-N 2 0 266.429 2.504 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000692958404 769908281 /nfs/dbraw/zinc/90/82/81/769908281.db2.gz HLQVUOXXMDVIGY-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000692975429 769947792 /nfs/dbraw/zinc/94/77/92/769947792.db2.gz GAGJTIOJKBHDIE-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP [NH3+]C[C@@H]1CCCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC000705558494 769998753 /nfs/dbraw/zinc/99/87/53/769998753.db2.gz BBNIWFGDGDIQJV-LBPRGKRZSA-N 2 0 275.371 2.868 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000714772116 770055904 /nfs/dbraw/zinc/05/59/04/770055904.db2.gz FKMYRVJQZBSPPE-WCXIOVBPSA-N 2 0 262.441 2.887 20 0 CFADRP C[NH2+]Cc1cn(-c2cc(N)c(C)c[nH+]2)c2ccc(C)cc12 ZINC001167122888 770057038 /nfs/dbraw/zinc/05/70/38/770057038.db2.gz PLVPUQAVLZSWCA-UHFFFAOYSA-N 2 0 280.375 2.944 20 0 CFADRP CC[C@@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092874369 770101486 /nfs/dbraw/zinc/10/14/86/770101486.db2.gz RXRCEOFVEVROFG-ZBFHGGJFSA-N 2 0 259.397 2.782 20 0 CFADRP C[N@@H+]1CC[C@H](Nc2ccc(F)c(C[NH+]3CCCC3)c2)C1 ZINC001167281307 770206275 /nfs/dbraw/zinc/20/62/75/770206275.db2.gz SLKNWSXQDIFCQP-HNNXBMFYSA-N 2 0 277.387 2.538 20 0 CFADRP C[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC001210476958 770293435 /nfs/dbraw/zinc/29/34/35/770293435.db2.gz ZPKODVKIPYPBEN-LLVKDONJSA-N 2 0 288.313 2.769 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000723638635 770633340 /nfs/dbraw/zinc/63/33/40/770633340.db2.gz XWTODESKCWNESG-CWVYHPPDSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCCCC2)CCC1(F)F ZINC000403270649 770645016 /nfs/dbraw/zinc/64/50/16/770645016.db2.gz JRRXSQYGNOWNIX-CYBMUJFWSA-N 2 0 260.372 2.873 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000723670710 770648431 /nfs/dbraw/zinc/64/84/31/770648431.db2.gz FQESQXYVUXFPOF-GFCCVEGCSA-N 2 0 252.789 2.819 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1Cl ZINC000723692006 770651172 /nfs/dbraw/zinc/65/11/72/770651172.db2.gz WXLFRLMKWFXYGA-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP CC(C)OC1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000707375409 770665861 /nfs/dbraw/zinc/66/58/61/770665861.db2.gz LLZVSUPFGUQHPX-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cc(C)nc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000723846373 770683403 /nfs/dbraw/zinc/68/34/03/770683403.db2.gz RIGQQLXWKZSUJB-CZUORRHYSA-N 2 0 261.413 2.648 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000723878976 770702782 /nfs/dbraw/zinc/70/27/82/770702782.db2.gz IDKSJWFMSVZOKC-QGZVFWFLSA-N 2 0 273.424 2.662 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900599 770709674 /nfs/dbraw/zinc/70/96/74/770709674.db2.gz KNXSAOQSJWKCEM-MBNYWOFBSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1CC[NH3+] ZINC000723901824 770710628 /nfs/dbraw/zinc/71/06/28/770710628.db2.gz KSJFHZJVIBOFJW-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723903602 770710673 /nfs/dbraw/zinc/71/06/73/770710673.db2.gz YOYDEWSXJNTLIG-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1CC[NH3+] ZINC000723902526 770710718 /nfs/dbraw/zinc/71/07/18/770710718.db2.gz PQGXVAPSIBUUJW-VXGBXAGGSA-N 2 0 281.469 2.857 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723918206 770711928 /nfs/dbraw/zinc/71/19/28/770711928.db2.gz HSNKEWDKHTVESZ-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCCOC1 ZINC000723958453 770722038 /nfs/dbraw/zinc/72/20/38/770722038.db2.gz JECHEVOARLFDNR-WCVJEAGWSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCOC1 ZINC000724012130 770749878 /nfs/dbraw/zinc/74/98/78/770749878.db2.gz GKJNIQICJHMFIA-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000690737452 770884193 /nfs/dbraw/zinc/88/41/93/770884193.db2.gz FFJJTYMTISFRJR-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP [NH3+]Cc1cccn1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001167590095 770947962 /nfs/dbraw/zinc/94/79/62/770947962.db2.gz RGMVWNLGDFXJNE-UHFFFAOYSA-N 2 0 279.387 2.584 20 0 CFADRP C[NH+]1CCC(CO[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224449674 775189120 /nfs/dbraw/zinc/18/91/20/775189120.db2.gz IQQIWQUBRNHMJJ-GOSISDBHSA-N 2 0 288.435 2.619 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CO[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001224701540 775251475 /nfs/dbraw/zinc/25/14/75/775251475.db2.gz HIFNDQIAAYLTEQ-QZTJIDSGSA-N 2 0 288.435 2.762 20 0 CFADRP C[NH2+][C@@H](CCCC[NH3+])c1nnc(CC2CCCCC2)o1 ZINC001217704606 775256615 /nfs/dbraw/zinc/25/66/15/775256615.db2.gz VXMAWBPQDXPOAQ-ZDUSSCGKSA-N 2 0 280.416 2.582 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217786273 775290037 /nfs/dbraw/zinc/29/00/37/775290037.db2.gz DEVFDSJGHVBYIJ-GDBMZVCRSA-N 2 0 268.445 2.561 20 0 CFADRP C(CCC1CC[NH2+]CC1)CO[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001217802107 775303609 /nfs/dbraw/zinc/30/36/09/775303609.db2.gz MDXQGGFWESOBRO-IRXDYDNUSA-N 2 0 280.456 2.705 20 0 CFADRP CC[NH+](CC)CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001224927585 775308696 /nfs/dbraw/zinc/30/86/96/775308696.db2.gz IJGIVOBACBQCML-ZSHCYNCHSA-N 2 0 268.445 2.749 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)[C@@H]1CC[NH3+] ZINC000694000543 775335463 /nfs/dbraw/zinc/33/54/63/775335463.db2.gz OGNOYNYYLPMBQT-BLLLJJGKSA-N 2 0 272.396 2.512 20 0 CFADRP Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc[nH+]1 ZINC001277063969 775555020 /nfs/dbraw/zinc/55/50/20/775555020.db2.gz CZJVPOFSOKJHNH-CALCHBBNSA-N 2 0 271.408 2.986 20 0 CFADRP Cc1cc(N2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc[nH+]1 ZINC001277065628 775565792 /nfs/dbraw/zinc/56/57/92/775565792.db2.gz YZRAPDZNIIICDT-UHFFFAOYSA-N 2 0 271.408 2.845 20 0 CFADRP CCC[NH+]1C[C@@H]2C[NH+](CCc3ccccc3OC)C[C@H]2C1 ZINC001207461550 775804366 /nfs/dbraw/zinc/80/43/66/775804366.db2.gz VATVOCNTZOZUNP-IAGOWNOFSA-N 2 0 288.435 2.511 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)C12CCC2 ZINC000925518121 775836745 /nfs/dbraw/zinc/83/67/45/775836745.db2.gz DHVSEKZXUZTTGA-KBPBESRZSA-N 2 0 264.800 2.742 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1CCCOC1 ZINC001207471372 775891592 /nfs/dbraw/zinc/89/15/92/775891592.db2.gz IARBIXYAASSDAD-IXDOHACOSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1(Cl)CC1)C[NH+]1CCCCC1 ZINC000695635888 775901235 /nfs/dbraw/zinc/90/12/35/775901235.db2.gz DGPQBTKPTCIOET-OLZOCXBDSA-N 2 0 258.837 2.858 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc[nH+]c(N)c1 ZINC001226657430 775907239 /nfs/dbraw/zinc/90/72/39/775907239.db2.gz PQTJOCLTFSSFJA-WMLDXEAASA-N 2 0 297.402 2.953 20 0 CFADRP C[NH+](C)CC[C@H](Oc1cc[nH+]c(N)c1)c1ccccc1 ZINC001226656618 775907943 /nfs/dbraw/zinc/90/79/43/775907943.db2.gz MGNQUUIMUSZKOD-HNNXBMFYSA-N 2 0 271.364 2.736 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC(F)(F)CC1 ZINC000690811863 775912358 /nfs/dbraw/zinc/91/23/58/775912358.db2.gz KOPCRJBZBKQFGN-SVJDTZHWSA-N 2 0 284.394 2.786 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)o1 ZINC001222259359 776054081 /nfs/dbraw/zinc/05/40/81/776054081.db2.gz NISPHWYOHWFMPW-QGZVFWFLSA-N 2 0 276.424 2.986 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000709377941 776074876 /nfs/dbraw/zinc/07/48/76/776074876.db2.gz VKKLAZACIKZCDD-VHSXEESVSA-N 2 0 258.818 2.674 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2c1CCN2 ZINC001167752068 776082009 /nfs/dbraw/zinc/08/20/09/776082009.db2.gz RAIUABMKHVROEW-ZDUSSCGKSA-N 2 0 274.412 2.726 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1cccc(C[NH3+])c1 ZINC001167751658 776082082 /nfs/dbraw/zinc/08/20/82/776082082.db2.gz LMNKRJMJTCATOA-AWEZNQCLSA-N 2 0 261.413 2.822 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222619854 776192298 /nfs/dbraw/zinc/19/22/98/776192298.db2.gz AEKKXUDKXOZBCU-WMLDXEAASA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422765967 776327808 /nfs/dbraw/zinc/32/78/08/776327808.db2.gz WQTHLRDDMXPHGL-YLCQGBONSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000423292330 776368104 /nfs/dbraw/zinc/36/81/04/776368104.db2.gz MNQUXVGKQCBFDP-ABAIWWIYSA-N 2 0 270.380 2.597 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOCC1(C)C ZINC001167826133 776547633 /nfs/dbraw/zinc/54/76/33/776547633.db2.gz MTLNRBWVFDUZEW-AWEZNQCLSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC001167825539 776545375 /nfs/dbraw/zinc/54/53/75/776545375.db2.gz JVLHUAIJQXFYQQ-HZPDHXFCSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC001167833324 776568315 /nfs/dbraw/zinc/56/83/15/776568315.db2.gz AEIIUGYHWFDGFW-NVXWUHKLSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N(CC[NH2+]C)C(C)(C)C ZINC001167833414 776568709 /nfs/dbraw/zinc/56/87/09/776568709.db2.gz AXOQQLBYDIEMGO-OAHLLOKOSA-N 2 0 271.493 2.817 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC001167833323 776569495 /nfs/dbraw/zinc/56/94/95/776569495.db2.gz AEIIUGYHWFDGFW-DOTOQJQBSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1C(C)=O ZINC001167836197 776587476 /nfs/dbraw/zinc/58/74/76/776587476.db2.gz XHJKFOJAYKNVTM-HIFRSBDPSA-N 2 0 254.418 2.550 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001167838167 776589549 /nfs/dbraw/zinc/58/95/49/776589549.db2.gz RBRDLHGSJZKIOK-JYJNAYRXSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000222910412 776606580 /nfs/dbraw/zinc/60/65/80/776606580.db2.gz LLKIZBALSZMOJI-CHWSQXEVSA-N 2 0 252.377 2.687 20 0 CFADRP COc1cc2ccccc2cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881925 776715374 /nfs/dbraw/zinc/71/53/74/776715374.db2.gz MOXHYWPYYRLIFF-UHFFFAOYSA-N 2 0 286.379 2.524 20 0 CFADRP COc1c(F)cccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001143532397 776814888 /nfs/dbraw/zinc/81/48/88/776814888.db2.gz GUUFIBRREDWGIL-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167911655 776832972 /nfs/dbraw/zinc/83/29/72/776832972.db2.gz CLCYRZNYRFRBIR-MXASKKJJSA-N 2 0 258.409 2.882 20 0 CFADRP CC[N@@H+]1CC[C@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229625964 776858915 /nfs/dbraw/zinc/85/89/15/776858915.db2.gz JLQNNJZICXMUOL-CJNGLKHVSA-N 2 0 262.397 2.782 20 0 CFADRP C([NH2+][C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CC2CCC2)CC1 ZINC001167915902 776864674 /nfs/dbraw/zinc/86/46/74/776864674.db2.gz FAKMODGHPGBADR-FVQHAEBGSA-N 2 0 262.441 2.887 20 0 CFADRP C[NH+](C)Cc1cc(F)ccc1OC1CC[NH+](C2CC2)CC1 ZINC001229853299 776904564 /nfs/dbraw/zinc/90/45/64/776904564.db2.gz GNMMDPDKJRZPMZ-UHFFFAOYSA-N 2 0 292.398 2.893 20 0 CFADRP C[NH+](C)Cc1cc(F)ccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001229854391 776905021 /nfs/dbraw/zinc/90/50/21/776905021.db2.gz MTSPISUOGYCBPC-HNNXBMFYSA-N 2 0 280.387 2.750 20 0 CFADRP CCc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)s1 ZINC001231502991 777242743 /nfs/dbraw/zinc/24/27/43/777242743.db2.gz IVUSFVCGHNHCJG-UHFFFAOYSA-N 2 0 264.438 2.838 20 0 CFADRP C[C@@]1(O)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167959031 777280060 /nfs/dbraw/zinc/28/00/60/777280060.db2.gz NGXLRISOXFDHPC-NBPJSUKFSA-N 2 0 292.467 2.675 20 0 CFADRP FC1(F)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167960292 777297104 /nfs/dbraw/zinc/29/71/04/777297104.db2.gz XPQVSUGKPMGLRQ-QXMXGUDHSA-N 2 0 270.367 2.779 20 0 CFADRP C[N@@H+](Cc1ccnc(C(F)F)c1)CC1CC[NH+](C)CC1 ZINC001231888320 777368687 /nfs/dbraw/zinc/36/86/87/777368687.db2.gz FGNDZIINWWWJAR-UHFFFAOYSA-N 2 0 283.366 2.793 20 0 CFADRP CCCOC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014565 777412574 /nfs/dbraw/zinc/41/25/74/777412574.db2.gz QQPDLCJKOGRQPO-UHFFFAOYSA-N 2 0 273.380 2.954 20 0 CFADRP c1c(C[NH+]2CCC3(CCCO3)CC2)[nH]c2cc[nH+]cc12 ZINC001232013483 777412720 /nfs/dbraw/zinc/41/27/20/777412720.db2.gz AEGKTJHIYPPNAZ-UHFFFAOYSA-N 2 0 271.364 2.708 20 0 CFADRP CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCOCC1 ZINC001232013804 777412844 /nfs/dbraw/zinc/41/28/44/777412844.db2.gz FWGYNTWAUGILCK-UHFFFAOYSA-N 2 0 259.353 2.564 20 0 CFADRP COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014077 777412881 /nfs/dbraw/zinc/41/28/81/777412881.db2.gz JHQGZLNUVBCUEP-OAHLLOKOSA-N 2 0 273.380 2.952 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC001232014590 777413013 /nfs/dbraw/zinc/41/30/13/777413013.db2.gz RPPJSMADUUDAFA-AWEZNQCLSA-N 2 0 278.359 2.947 20 0 CFADRP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCCCO1 ZINC001232013780 777413142 /nfs/dbraw/zinc/41/31/42/777413142.db2.gz FMRMLNWNOJVLTO-AWEZNQCLSA-N 2 0 259.353 2.564 20 0 CFADRP CC(C)O[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016161 777414788 /nfs/dbraw/zinc/41/47/88/777414788.db2.gz SFAHKDBIDYZEII-AWEZNQCLSA-N 2 0 259.353 2.562 20 0 CFADRP CC(C)O[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016162 777414820 /nfs/dbraw/zinc/41/48/20/777414820.db2.gz SFAHKDBIDYZEII-CQSZACIVSA-N 2 0 259.353 2.562 20 0 CFADRP [NH3+]Cc1ccn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167967899 777425920 /nfs/dbraw/zinc/42/59/20/777425920.db2.gz KMNGNNNOMAOQEI-XYPWUTKMSA-N 2 0 259.397 2.525 20 0 CFADRP O[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167969343 777431178 /nfs/dbraw/zinc/43/11/78/777431178.db2.gz BJUKBDOEFVHQJP-VGUREELVSA-N 2 0 292.467 2.533 20 0 CFADRP [NH3+]CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969457 777431532 /nfs/dbraw/zinc/43/15/32/777431532.db2.gz CIUVPXWIPKLTRR-AYHJJNSGSA-N 3 0 293.499 2.891 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)CC2CCOCC2)c1 ZINC001232145103 777449734 /nfs/dbraw/zinc/44/97/34/777449734.db2.gz VFFBYGBTIZJBML-UHFFFAOYSA-N 2 0 294.414 2.746 20 0 CFADRP CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CC1 ZINC001232144244 777450032 /nfs/dbraw/zinc/45/00/32/777450032.db2.gz KXQZJCPEGDEZNF-UHFFFAOYSA-N 2 0 250.361 2.872 20 0 CFADRP CCO[C@@H]1CCC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146769 777451287 /nfs/dbraw/zinc/45/12/87/777451287.db2.gz GWVWKDKULPMXAI-QGZVFWFLSA-N 2 0 294.414 2.888 20 0 CFADRP Cc1scnc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001232212334 777475369 /nfs/dbraw/zinc/47/53/69/777475369.db2.gz MYYBBJFEPLGKDJ-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP C[N@H+](CCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995338 777527982 /nfs/dbraw/zinc/52/79/82/777527982.db2.gz BBZPCGQBUQRUIU-DFNIBXOVSA-N 2 0 299.462 2.961 20 0 CFADRP CC(C)OCC[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277656782 777539905 /nfs/dbraw/zinc/53/99/05/777539905.db2.gz BQXKYKGPPRMRSF-CALCHBBNSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1CC([NH2+]CC2COC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005024 777573018 /nfs/dbraw/zinc/57/30/18/777573018.db2.gz DPVHMEFKSLNMNI-HUUCEWRRSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@@H]1CC([NH2+]CC2(O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168004973 777573904 /nfs/dbraw/zinc/57/39/04/777573904.db2.gz CVAIJGGFJOWZPS-HUUCEWRRSA-N 2 0 288.435 2.543 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204754769 777581626 /nfs/dbraw/zinc/58/16/26/777581626.db2.gz ADEJIFZRRJUATD-JZIMQPMSSA-N 2 0 254.418 2.563 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccn2)CC1 ZINC001232494013 777581779 /nfs/dbraw/zinc/58/17/79/777581779.db2.gz JSNSEBBTNJRWCY-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP C[C@H]1CC([NH2+][C@H]2C[C@@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015213 777647159 /nfs/dbraw/zinc/64/71/59/777647159.db2.gz PPERTPQXSVVHDZ-DFEHZGFQSA-N 2 0 288.435 2.541 20 0 CFADRP C[N@@H+](Cc1c[nH]c2ccc(O)cc12)CC1CC[NH+](C)CC1 ZINC001232867055 777697570 /nfs/dbraw/zinc/69/75/70/777697570.db2.gz UWNPDXMPOVUIOE-UHFFFAOYSA-N 2 0 287.407 2.647 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232867415 777698420 /nfs/dbraw/zinc/69/84/20/777698420.db2.gz ZXSLNBTUVJWKKD-UHFFFAOYSA-N 2 0 287.407 2.647 20 0 CFADRP C[C@@H](C[NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031116 777733074 /nfs/dbraw/zinc/73/30/74/777733074.db2.gz XWHZOXPUCAMOCY-CUSZFKRNSA-N 2 0 289.467 2.612 20 0 CFADRP Cc1ncc(F)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001232992709 777755214 /nfs/dbraw/zinc/75/52/14/777755214.db2.gz MFLHEGJYSQZRFS-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168090577 778014981 /nfs/dbraw/zinc/01/49/81/778014981.db2.gz FMSDOKDMZQIUGD-IHRRRGAJSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168092865 778025190 /nfs/dbraw/zinc/02/51/90/778025190.db2.gz JNZCCCRIMFFUKQ-ZBFHGGJFSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168093562 778027091 /nfs/dbraw/zinc/02/70/91/778027091.db2.gz NJDYPPYJXNPVGO-UKRRQHHQSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168094578 778031338 /nfs/dbraw/zinc/03/13/38/778031338.db2.gz WARZKTMSZSNIET-AJNGGQMLSA-N 2 0 254.418 2.534 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCO1 ZINC001168094908 778031404 /nfs/dbraw/zinc/03/14/04/778031404.db2.gz XWRLIOHCCLASJZ-CZUORRHYSA-N 2 0 292.398 2.643 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168104436 778048432 /nfs/dbraw/zinc/04/84/32/778048432.db2.gz UPVPDOHXAJOKNW-FPCVCCKLSA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@@H](C)[N@@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001277808252 778078707 /nfs/dbraw/zinc/07/87/07/778078707.db2.gz UXJXHXDHBPJWOV-NVXWUHKLSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001168137083 778136995 /nfs/dbraw/zinc/13/69/95/778136995.db2.gz NAOCJXYZTAADMA-YYIAUSFCSA-N 2 0 280.456 2.893 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3c1CC[NH+](C)C3)C2 ZINC001234420557 778221216 /nfs/dbraw/zinc/22/12/16/778221216.db2.gz UOCKYGXVGLAQMQ-ZSHCYNCHSA-N 2 0 286.419 2.679 20 0 CFADRP CC1(Nc2cccc3c2C2(C=C3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001168187286 778229572 /nfs/dbraw/zinc/22/95/72/778229572.db2.gz PNJPSLIVRWQSBW-UHFFFAOYSA-N 2 0 297.446 2.889 20 0 CFADRP CCC[N@H+]1C[C@@H]2C[NH+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168221776 778255140 /nfs/dbraw/zinc/25/51/40/778255140.db2.gz PBAWVHHBVCSJOW-IRHLINNNSA-N 2 0 250.430 2.839 20 0 CFADRP CC[NH+](CC)CCCC[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168229904 778260338 /nfs/dbraw/zinc/26/03/38/778260338.db2.gz CSFLKMRIHCUJRF-KRWDZBQOSA-N 2 0 290.451 2.874 20 0 CFADRP Cc1ccc(C[NH+]2CCCCC2)cc1-n1cc(C[NH3+])cn1 ZINC001168260866 778278452 /nfs/dbraw/zinc/27/84/52/778278452.db2.gz CKBFLPONQVMIJE-UHFFFAOYSA-N 2 0 284.407 2.625 20 0 CFADRP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCC23CCCC3)c1 ZINC001234974730 778343484 /nfs/dbraw/zinc/34/34/84/778343484.db2.gz KUVFKMYABKZCAI-UHFFFAOYSA-N 2 0 299.462 2.610 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1OC(C)C ZINC001234982539 778347280 /nfs/dbraw/zinc/34/72/80/778347280.db2.gz UITYSNALBKRBPK-CALCHBBNSA-N 2 0 288.435 2.742 20 0 CFADRP CC(C)(CC[N@@H+]1CC2CC1(C[NH3+])C2)c1ccccc1 ZINC001235006040 778351748 /nfs/dbraw/zinc/35/17/48/778351748.db2.gz CYAAIXNOKHXMCY-UHFFFAOYSA-N 2 0 258.409 2.777 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023552 778357279 /nfs/dbraw/zinc/35/72/79/778357279.db2.gz CRRHYLHZNDTIJO-UHFFFAOYSA-N 2 0 274.452 2.888 20 0 CFADRP FC(F)(F)c1ccccc1CCC[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025141 778357453 /nfs/dbraw/zinc/35/74/53/778357453.db2.gz WSMFWVSYNQARRP-UHFFFAOYSA-N 2 0 298.352 2.933 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C1(C)C ZINC001235036264 778362454 /nfs/dbraw/zinc/36/24/54/778362454.db2.gz KETHUOTZHDUNRZ-IXDOHACOSA-N 2 0 292.467 2.679 20 0 CFADRP c1ccc2[nH]c(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)nc2c1 ZINC001277921392 778374456 /nfs/dbraw/zinc/37/44/56/778374456.db2.gz ATUSXWWBGQSIHY-LQDVMPOASA-N 2 0 296.418 2.810 20 0 CFADRP c1ccc2c(c1)C[NH2+]CC21CC[NH+](CCC2CC2)CC1 ZINC001235086715 778375416 /nfs/dbraw/zinc/37/54/16/778375416.db2.gz NYKNKALARVQEAQ-UHFFFAOYSA-N 2 0 270.420 2.924 20 0 CFADRP CC[N@H+](CCCC[NH3+])[C@@H](C)Cc1ccc(OC)cc1 ZINC001204869492 778375969 /nfs/dbraw/zinc/37/59/69/778375969.db2.gz AEJSHVNMAMBGRG-AWEZNQCLSA-N 2 0 264.413 2.687 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC3(C1)CC[NH2+]CC3)NCCC2 ZINC001235091390 778376757 /nfs/dbraw/zinc/37/67/57/778376757.db2.gz ATRSPASRABSUHS-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP c1ccc2c(c1)NCC21CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001235138655 778394903 /nfs/dbraw/zinc/39/49/03/778394903.db2.gz BYYCNPFKGORJFX-UHFFFAOYSA-N 2 0 299.462 2.835 20 0 CFADRP CCc1cccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c1 ZINC001235144541 778396598 /nfs/dbraw/zinc/39/65/98/778396598.db2.gz MCFJOVBHMHJXNJ-UHFFFAOYSA-N 2 0 258.409 2.967 20 0 CFADRP FC1(C[NH+]2CCC3(CCCC3)CC2)CC[NH2+]CC1 ZINC001235154078 778398598 /nfs/dbraw/zinc/39/85/98/778398598.db2.gz HUIMYTRVHPZGLZ-UHFFFAOYSA-N 2 0 254.393 2.734 20 0 CFADRP Nc1cccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235156205 778398858 /nfs/dbraw/zinc/39/88/58/778398858.db2.gz FTTJHWHTWCWQIK-KRWDZBQOSA-N 2 0 273.424 2.623 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H]4C[C@@]4([NH3+])C3)cc21 ZINC001235172419 778403282 /nfs/dbraw/zinc/40/32/82/778403282.db2.gz GIZFYRQNNRUEGJ-QFBILLFUSA-N 2 0 297.446 2.611 20 0 CFADRP [NH3+]CCCC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235186447 778406861 /nfs/dbraw/zinc/40/68/61/778406861.db2.gz HNCPKZKJNZJZDY-UHFFFAOYSA-N 2 0 256.393 2.786 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC001235193998 778409672 /nfs/dbraw/zinc/40/96/72/778409672.db2.gz UJKDQORUDFPPRJ-CHWSQXEVSA-N 2 0 264.438 2.742 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168295084 778411107 /nfs/dbraw/zinc/41/11/07/778411107.db2.gz TWQBIMDJIQSPHN-UHFFFAOYSA-N 3 0 289.467 2.711 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC001168298520 778412404 /nfs/dbraw/zinc/41/24/04/778412404.db2.gz ZAMFUOLKXFODSA-WLYUNCDWSA-N 2 0 261.413 2.913 20 0 CFADRP CC(=O)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168297798 778412913 /nfs/dbraw/zinc/41/29/13/778412913.db2.gz MBMKQQLECSINKV-JCYILVPMSA-N 2 0 274.408 2.779 20 0 CFADRP C[NH+](C)C1CCC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC1 ZINC001168297582 778413196 /nfs/dbraw/zinc/41/31/96/778413196.db2.gz FASGARORDWECFM-UHFFFAOYSA-N 3 0 281.488 2.840 20 0 CFADRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168300234 778415151 /nfs/dbraw/zinc/41/51/51/778415151.db2.gz QXSJYUMNWYPWCI-PJPHBNEVSA-N 2 0 296.455 2.571 20 0 CFADRP Cc1ccc([C@@H](C)CCN2C[C@H]3CCC[NH2+][C@H]3C2)o1 ZINC001235208991 778415367 /nfs/dbraw/zinc/41/53/67/778415367.db2.gz FTASGJLIWCITGF-CFVMTHIKSA-N 2 0 262.397 2.765 20 0 CFADRP [NH3+][C@@H]1[C@H]2CN(Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]21 ZINC001235209631 778415610 /nfs/dbraw/zinc/41/56/10/778415610.db2.gz FGJNSUXAXPOHQL-FOLVSLTJSA-N 2 0 288.778 2.989 20 0 CFADRP Cc1cccc2c(CN3C[C@H]4CCC[NH2+][C@H]4C3)c[nH]c21 ZINC001235208976 778415701 /nfs/dbraw/zinc/41/57/01/778415701.db2.gz DGMHCOYWLKIGCR-CJNGLKHVSA-N 2 0 269.392 2.660 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N)c1 ZINC001168304060 778418648 /nfs/dbraw/zinc/41/86/48/778418648.db2.gz NMCVNNAHHPCKHH-JQRITLKVSA-N 2 0 261.413 2.792 20 0 CFADRP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001235221826 778420972 /nfs/dbraw/zinc/42/09/72/778420972.db2.gz FJKXPWBNKLWOOQ-HZPDHXFCSA-N 2 0 262.441 2.888 20 0 CFADRP c1c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)nc2ccccn12 ZINC001235229942 778423111 /nfs/dbraw/zinc/42/31/11/778423111.db2.gz MUCHLYJBNURAOL-QGZVFWFLSA-N 2 0 298.434 2.688 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)o1 ZINC001235233273 778423533 /nfs/dbraw/zinc/42/35/33/778423533.db2.gz OPAFSDCVIQFWDQ-MRXNPFEDSA-N 2 0 262.397 2.942 20 0 CFADRP c1nn2ccccc2c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237464 778426247 /nfs/dbraw/zinc/42/62/47/778426247.db2.gz BRPPWCMFXXLQOM-KRWDZBQOSA-N 2 0 298.434 2.688 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)no1 ZINC001168315888 778426742 /nfs/dbraw/zinc/42/67/42/778426742.db2.gz PPFJUDSDTOUWHJ-XUJLQICISA-N 2 0 277.412 2.993 20 0 CFADRP Cc1cc([C@H]2CCC[N@H+]2C2CCC([NH+](C)C)CC2)no1 ZINC001168315889 778426776 /nfs/dbraw/zinc/42/67/76/778426776.db2.gz PPFJUDSDTOUWHJ-ZBCRRDGASA-N 2 0 277.412 2.993 20 0 CFADRP c1c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]c2cc[nH+]cc12 ZINC001235241306 778427820 /nfs/dbraw/zinc/42/78/20/778427820.db2.gz ORIXIUXFEHBFEC-QGZVFWFLSA-N 3 0 298.434 2.917 20 0 CFADRP c1cc2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)ccn2n1 ZINC001235240077 778428239 /nfs/dbraw/zinc/42/82/39/778428239.db2.gz VMVJVKDUKIWXEI-SFHVURJKSA-N 2 0 298.434 2.688 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001168323055 778431260 /nfs/dbraw/zinc/43/12/60/778431260.db2.gz OOQLMGHSQSQVBP-DAWZGUTISA-N 2 0 293.499 2.810 20 0 CFADRP COc1ccc2c(c1)C[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168324661 778431740 /nfs/dbraw/zinc/43/17/40/778431740.db2.gz TVVYXJYBPQBSGX-UHFFFAOYSA-N 2 0 274.408 2.884 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235255393 778434324 /nfs/dbraw/zinc/43/43/24/778434324.db2.gz MTBBJSKQTYAQTI-DZGCQCFKSA-N 2 0 298.352 2.932 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235255280 778434409 /nfs/dbraw/zinc/43/44/09/778434409.db2.gz MFJKGIYZLWMAHB-HOCLYGCPSA-N 2 0 278.827 2.956 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC001168334815 778437603 /nfs/dbraw/zinc/43/76/03/778437603.db2.gz XJIZSLVVWXJFCJ-JCYILVPMSA-N 2 0 288.435 2.795 20 0 CFADRP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)cc2)o1 ZINC001235284243 778442298 /nfs/dbraw/zinc/44/22/98/778442298.db2.gz KCOWDWRPFOPWBQ-SCAQPMJSSA-N 2 0 268.360 2.644 20 0 CFADRP Cc1csc2sc(C[N@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c(C)c12 ZINC001235285489 778443481 /nfs/dbraw/zinc/44/34/81/778443481.db2.gz SGXSPNQOCFZSPA-DDFAGTSDSA-N 2 0 278.446 2.969 20 0 CFADRP CC[NH+](CC)CCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353807 778447874 /nfs/dbraw/zinc/44/78/74/778447874.db2.gz VEABADNGJGZUSF-UHFFFAOYSA-N 3 0 281.488 2.572 20 0 CFADRP Cc1ccccc1OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353769 778448085 /nfs/dbraw/zinc/44/80/85/778448085.db2.gz SYMNZACDKCNZQZ-UHFFFAOYSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235335271 778458272 /nfs/dbraw/zinc/45/82/72/778458272.db2.gz LHAKYDHVMAPULH-UHFFFAOYSA-N 2 0 258.409 2.735 20 0 CFADRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001277939089 778466423 /nfs/dbraw/zinc/46/64/23/778466423.db2.gz YORGPWSZIIVMEJ-GJZGRUSLSA-N 2 0 299.503 2.589 20 0 CFADRP COC1(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CCCC1 ZINC000873223861 778469571 /nfs/dbraw/zinc/46/95/71/778469571.db2.gz TWSZLTQBHVQINR-OAHLLOKOSA-N 2 0 268.445 2.643 20 0 CFADRP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235400555 778475422 /nfs/dbraw/zinc/47/54/22/778475422.db2.gz KJBUMYAKKWLKCA-ZWKOTPCHSA-N 2 0 288.410 2.699 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000721255497 778475670 /nfs/dbraw/zinc/47/56/70/778475670.db2.gz RSAAIRUUJSZRTQ-HRCADAONSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1 ZINC001235400784 778476723 /nfs/dbraw/zinc/47/67/23/778476723.db2.gz FELJZWBHAUVCTL-IAGOWNOFSA-N 2 0 276.399 2.827 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235400701 778476780 /nfs/dbraw/zinc/47/67/80/778476780.db2.gz DOMKLVVKDHYIOZ-DLBZAZTESA-N 2 0 276.399 2.773 20 0 CFADRP Fc1ccc(CCC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235404126 778477704 /nfs/dbraw/zinc/47/77/04/778477704.db2.gz MOYSEZDVYSAARE-IAGOWNOFSA-N 2 0 294.389 2.782 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235406977 778478758 /nfs/dbraw/zinc/47/87/58/778478758.db2.gz RWOULDAZHBZRKZ-SJORKVTESA-N 2 0 276.399 2.827 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1NCC2 ZINC001235421468 778485231 /nfs/dbraw/zinc/48/52/31/778485231.db2.gz CANOUAHGWSZHIQ-ZWKOTPCHSA-N 2 0 299.462 2.866 20 0 CFADRP Nc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235421491 778485458 /nfs/dbraw/zinc/48/54/58/778485458.db2.gz CJYXWCSXRFEAQE-ZIAGYGMSSA-N 2 0 291.414 2.620 20 0 CFADRP Oc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235431744 778488235 /nfs/dbraw/zinc/48/82/35/778488235.db2.gz VRZIVICAYMHJHJ-UONOGXRCSA-N 2 0 292.398 2.743 20 0 CFADRP CC(C)C[NH+]1CCC(NC2CC[NH+](CC3CC3)CC2)CC1 ZINC001168362757 778513348 /nfs/dbraw/zinc/51/33/48/778513348.db2.gz HCVQSGAODHHSMY-UHFFFAOYSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1ccccc1O[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235673852 778531262 /nfs/dbraw/zinc/53/12/62/778531262.db2.gz ILKDVIZASNZADI-IRXDYDNUSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235675584 778532869 /nfs/dbraw/zinc/53/28/69/778532869.db2.gz ZJFPRLRRZDWPTQ-NVXWUHKLSA-N 2 0 274.408 2.672 20 0 CFADRP Cc1ccc(O[C@@H]2CCC[N@H+](CCCC[NH3+])C2)cc1 ZINC001235687822 778536675 /nfs/dbraw/zinc/53/66/75/778536675.db2.gz JCUYAWBMLCQWDT-MRXNPFEDSA-N 2 0 262.397 2.577 20 0 CFADRP Fc1ccc(O[C@H]2CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235687113 778537367 /nfs/dbraw/zinc/53/73/67/778537367.db2.gz DYEGFQQSDVPWMT-WBVHZDCISA-N 2 0 292.398 2.811 20 0 CFADRP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1F ZINC001235691225 778538047 /nfs/dbraw/zinc/53/80/47/778538047.db2.gz GWEJPHPBRIFXFL-DGCLKSJQSA-N 2 0 286.341 2.748 20 0 CFADRP CC1(C)CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235690531 778538516 /nfs/dbraw/zinc/53/85/16/778538516.db2.gz HZBOGGIYCANSFJ-UHFFFAOYSA-N 2 0 283.419 2.976 20 0 CFADRP c1cc2c(c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c1)NCC2 ZINC001235703068 778541889 /nfs/dbraw/zinc/54/18/89/778541889.db2.gz QIGMJZHWVNJORX-UHFFFAOYSA-N 2 0 299.462 2.866 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702796 778542224 /nfs/dbraw/zinc/54/22/24/778542224.db2.gz NKPDGFHSEFKEQG-BMGDILEWSA-N 2 0 274.452 2.910 20 0 CFADRP CC1(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235715861 778545498 /nfs/dbraw/zinc/54/54/98/778545498.db2.gz VNQGSAWMVBTDKE-QGZVFWFLSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)c(F)c1 ZINC001235716681 778545553 /nfs/dbraw/zinc/54/55/53/778545553.db2.gz FWSJNFUYTDWDKL-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cccc(C[N@H+](C)CCC2CC[NH2+]CC2)c1F ZINC001235713806 778545634 /nfs/dbraw/zinc/54/56/34/778545634.db2.gz GCNUAQLCYLGTLL-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cc(F)ccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235716740 778545659 /nfs/dbraw/zinc/54/56/59/778545659.db2.gz IYYZPPATYZVZFI-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP COCCCN(Cc1sccc1C)[C@H]1CCC[NH2+]C1 ZINC001235805368 778562934 /nfs/dbraw/zinc/56/29/34/778562934.db2.gz DYWQHMYYWLGMPL-AWEZNQCLSA-N 2 0 282.453 2.647 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001235824790 778569007 /nfs/dbraw/zinc/56/90/07/778569007.db2.gz BLQLCRFQHUNROM-UHFFFAOYSA-N 2 0 264.489 2.976 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC001235840809 778576005 /nfs/dbraw/zinc/57/60/05/778576005.db2.gz ASQFCYMUCCJTJT-CABCVRRESA-N 2 0 250.430 2.910 20 0 CFADRP CCCCc1nc(CN2CC[NH2+][C@@H](c3ccccc3)C2)c[nH]1 ZINC001235853366 778580533 /nfs/dbraw/zinc/58/05/33/778580533.db2.gz LOFSUTAPJNXWOH-QGZVFWFLSA-N 2 0 298.434 2.899 20 0 CFADRP c1cc2n(c1C[N@@H+]1CCC[C@H]3CCCC[C@@H]31)CC[NH2+]C2 ZINC001235867322 778585913 /nfs/dbraw/zinc/58/59/13/778585913.db2.gz OMLFAFCWGFFZOV-PBHICJAKSA-N 2 0 273.424 2.746 20 0 CFADRP C[C@H]([NH3+])CN1CC[C@H](c2ccc(Br)cc2)C1 ZINC001235881558 778588600 /nfs/dbraw/zinc/58/86/00/778588600.db2.gz GLNBCLHLMJKTQE-JQWIXIFHSA-N 2 0 283.213 2.586 20 0 CFADRP C(C[NH2+]C1CCCCC1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235883715 778590549 /nfs/dbraw/zinc/59/05/49/778590549.db2.gz LATDTNYFDZVTNL-GOSISDBHSA-N 3 0 293.499 2.763 20 0 CFADRP Clc1ccc(CCC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235929111 778612323 /nfs/dbraw/zinc/61/23/23/778612323.db2.gz IETIKVPUKOCSBE-HUUCEWRRSA-N 2 0 278.827 2.814 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc(C)c1F ZINC001235925883 778612634 /nfs/dbraw/zinc/61/26/34/778612634.db2.gz QMNPFMKUYBUTDK-AWEZNQCLSA-N 2 0 250.361 2.756 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235938866 778617687 /nfs/dbraw/zinc/61/76/87/778617687.db2.gz MANBWIXXVQYUMS-DOTOQJQBSA-N 2 0 288.435 2.824 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235939029 778618039 /nfs/dbraw/zinc/61/80/39/778618039.db2.gz NQKLRDZLVNPDTO-WBVHZDCISA-N 2 0 288.435 2.824 20 0 CFADRP CC(C)(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235937992 778618422 /nfs/dbraw/zinc/61/84/22/778618422.db2.gz KFCPVXISCKXLRY-HOTGVXAUSA-N 2 0 288.435 2.905 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235941818 778619770 /nfs/dbraw/zinc/61/97/70/778619770.db2.gz XCFSBFQMQRAXPU-HOTGVXAUSA-N 2 0 258.409 2.599 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C[C@H]1CC1(C)C ZINC001235957994 778626957 /nfs/dbraw/zinc/62/69/57/778626957.db2.gz AFSKWGKCAISVKH-MRXNPFEDSA-N 2 0 258.409 2.810 20 0 CFADRP C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)C[C@H]1CC1(C)C ZINC001235958013 778626969 /nfs/dbraw/zinc/62/69/69/778626969.db2.gz BIAZAULSQFOVKT-MRXNPFEDSA-N 2 0 287.451 2.574 20 0 CFADRP Cc1cccnc1C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168368794 778628333 /nfs/dbraw/zinc/62/83/33/778628333.db2.gz PMSJJPLSHNCXOC-UHFFFAOYSA-N 2 0 299.462 2.886 20 0 CFADRP CCn1ccc2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])cc21 ZINC001235960777 778629456 /nfs/dbraw/zinc/62/94/56/778629456.db2.gz ZKZQHPAOCPBPDL-ALXJQNPVSA-N 2 0 283.419 2.830 20 0 CFADRP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CCC1C[NH2+]C1 ZINC001235962108 778630985 /nfs/dbraw/zinc/63/09/85/778630985.db2.gz LKXDQKPLMRRDLM-HOTGVXAUSA-N 2 0 268.445 2.859 20 0 CFADRP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001235963911 778631159 /nfs/dbraw/zinc/63/11/59/778631159.db2.gz XYPPQNKHWLZMPC-IKGGRYGDSA-N 2 0 298.471 2.628 20 0 CFADRP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235963954 778632027 /nfs/dbraw/zinc/63/20/27/778632027.db2.gz YUXZFQGKJICMFW-SIRPWMCASA-N 2 0 280.456 2.715 20 0 CFADRP CCOc1ccc(C)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236005606 778650580 /nfs/dbraw/zinc/65/05/80/778650580.db2.gz KIWFXNQRTPEPPL-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236009541 778654027 /nfs/dbraw/zinc/65/40/27/778654027.db2.gz VDNYBMHZRAXKAQ-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP C[N@H+](CC[C@H]1C[NH2+]CCO1)C1CCC(C(C)(C)C)CC1 ZINC001236009310 778654232 /nfs/dbraw/zinc/65/42/32/778654232.db2.gz RGRYRVLNELUZHN-GPANFISMSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@H+](CC1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168370591 778667027 /nfs/dbraw/zinc/66/70/27/778667027.db2.gz BTMVZTFDJQFQKI-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072143 778681560 /nfs/dbraw/zinc/68/15/60/778681560.db2.gz DVTLUANCZNAFOU-CWIOURORSA-N 2 0 279.472 2.620 20 0 CFADRP Clc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001236090697 778686833 /nfs/dbraw/zinc/68/68/33/778686833.db2.gz HEPQSAIBNXDVLM-UHFFFAOYSA-N 2 0 273.767 2.812 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236111036 778698628 /nfs/dbraw/zinc/69/86/28/778698628.db2.gz HCTHEQNMYVPTDC-QGZVFWFLSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@H](CC[NH+]1CCC(N2CC[NH2+]CC2)CC1)CC(C)(C)C ZINC001236131026 778706276 /nfs/dbraw/zinc/70/62/76/778706276.db2.gz ZWBUCVLZRQRWJB-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc2ccccc2c1 ZINC001236184885 778728616 /nfs/dbraw/zinc/72/86/16/778728616.db2.gz WWLGDSYRGGIEDE-SFHVURJKSA-N 2 0 284.403 2.650 20 0 CFADRP CCC[N@H+](Cc1cccc2c1NCC2)C1CC[NH2+]CC1 ZINC001236184335 778728661 /nfs/dbraw/zinc/72/86/61/778728661.db2.gz ISKGSEXNYGHIPA-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC001236190800 778732057 /nfs/dbraw/zinc/73/20/57/778732057.db2.gz YFTKSEPNUITDTA-CXAGYDPISA-N 2 0 269.392 2.914 20 0 CFADRP CC[NH+]1CCC(CC2CC[NH+](CCCCCO)CC2)CC1 ZINC001236196388 778733140 /nfs/dbraw/zinc/73/31/40/778733140.db2.gz ZDCWSBUROCHVCM-UHFFFAOYSA-N 2 0 296.499 2.983 20 0 CFADRP C[NH2+]C1CCC([N@H+](C)Cc2cccc3c2CCN3)CC1 ZINC001236215466 778740201 /nfs/dbraw/zinc/74/02/01/778740201.db2.gz NXRYJPBXJBWNNT-UHFFFAOYSA-N 2 0 273.424 2.617 20 0 CFADRP C[N@H+](CC1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168387744 778767505 /nfs/dbraw/zinc/76/75/05/778767505.db2.gz SBFYPUPULUIFDD-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](Cc2cccc(OC)c2)C1 ZINC001236305594 778768672 /nfs/dbraw/zinc/76/86/72/778768672.db2.gz ZGLWKDJHLVCBLG-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168391087 778773971 /nfs/dbraw/zinc/77/39/71/778773971.db2.gz MCBDGRGDCZSXRF-IBGZPJMESA-N 2 0 299.462 2.963 20 0 CFADRP C[C@@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315069 778773969 /nfs/dbraw/zinc/77/39/69/778773969.db2.gz VHXWGWLGADMNEV-YESZJQIVSA-N 2 0 296.499 2.885 20 0 CFADRP Clc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314220 778773984 /nfs/dbraw/zinc/77/39/84/778773984.db2.gz LPULNOLVPWETMU-OKILXGFUSA-N 2 0 264.800 2.771 20 0 CFADRP Clc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236314291 778774326 /nfs/dbraw/zinc/77/43/26/778774326.db2.gz AOLVLTHAKBGEAO-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP Fc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316428 778775750 /nfs/dbraw/zinc/77/57/50/778775750.db2.gz SFARARUGSOWANC-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)sc1C ZINC001236321004 778778092 /nfs/dbraw/zinc/77/80/92/778778092.db2.gz NHBSOEHRNQUNJN-OKILXGFUSA-N 2 0 264.438 2.796 20 0 CFADRP FC(F)(F)c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236321335 778778805 /nfs/dbraw/zinc/77/88/05/778778805.db2.gz IOJIUYVQRUUHCW-BETUJISGSA-N 2 0 299.340 2.532 20 0 CFADRP c1cc2c(cccc2C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236321467 778779169 /nfs/dbraw/zinc/77/91/69/778779169.db2.gz SOHIZFSKQHMMHV-OKILXGFUSA-N 2 0 270.376 2.864 20 0 CFADRP COc1cccc([C@@H]2CCC[N@H+](CCCC[NH3+])C2)c1 ZINC001236335811 778784920 /nfs/dbraw/zinc/78/49/20/778784920.db2.gz RNPNCQOVYHRMIR-OAHLLOKOSA-N 2 0 262.397 2.614 20 0 CFADRP Nc1ccc(C2CC[NH+](CC3(F)CC[NH2+]CC3)CC2)cc1 ZINC001236336559 778785387 /nfs/dbraw/zinc/78/53/87/778785387.db2.gz RHTNWEMAYBWTMR-UHFFFAOYSA-N 2 0 291.414 2.540 20 0 CFADRP C[NH2+]Cc1ccccc1-c1cccc2c1CC[NH2+]C2 ZINC001236362059 778791335 /nfs/dbraw/zinc/79/13/35/778791335.db2.gz VWHLGBJDYSDEJG-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP CCc1cccc(C)c1C[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC001236410148 778805293 /nfs/dbraw/zinc/80/52/93/778805293.db2.gz DUJGMUCNKLEPGC-HNNXBMFYSA-N 2 0 260.425 2.989 20 0 CFADRP Cc1n[nH]c(C)c1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236458653 778834273 /nfs/dbraw/zinc/83/42/73/778834273.db2.gz VFHJHSMUDXJWIT-UHFFFAOYSA-N 2 0 278.444 2.627 20 0 CFADRP C[NH+](C)CC(C)(C)CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236454998 778834537 /nfs/dbraw/zinc/83/45/37/778834537.db2.gz QIDYLSIRNODJLJ-UHFFFAOYSA-N 2 0 283.504 2.674 20 0 CFADRP Cc1cccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)c1C ZINC001236532643 778867456 /nfs/dbraw/zinc/86/74/56/778867456.db2.gz DPTJPMBLSPROSB-HNNXBMFYSA-N 2 0 258.409 2.877 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550824 778875486 /nfs/dbraw/zinc/87/54/86/778875486.db2.gz NCNBEDGJYLALAM-ULQDDVLXSA-N 3 0 281.488 2.747 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC[NH2+]CC2)C2CCCCC2)CC1 ZINC001236565237 778878017 /nfs/dbraw/zinc/87/80/17/778878017.db2.gz AMCXWBXOVAGWCO-SAABIXHNSA-N 3 0 293.499 2.891 20 0 CFADRP Nc1nc(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001236571948 778879797 /nfs/dbraw/zinc/87/97/97/778879797.db2.gz NRGAMWHYGVPFSH-YEORSEQZSA-N 2 0 294.468 2.740 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCC[NH2+]C2)C2CCC2)CC1 ZINC001236573224 778880048 /nfs/dbraw/zinc/88/00/48/778880048.db2.gz ZIIKSGTYXHPWJF-BFYDXBDKSA-N 3 0 279.472 2.501 20 0 CFADRP COc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1C ZINC001236598680 778889511 /nfs/dbraw/zinc/88/95/11/778889511.db2.gz NBRWEJQTNLSHHQ-INIZCTEOSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001236604767 778890708 /nfs/dbraw/zinc/89/07/08/778890708.db2.gz NDWAODIJLRAGJA-GOSISDBHSA-N 2 0 288.435 2.961 20 0 CFADRP c1cc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)cc2c1C[NH2+]C2 ZINC001236652263 778903580 /nfs/dbraw/zinc/90/35/80/778903580.db2.gz GQOLOSYNECIORF-IBGZPJMESA-N 2 0 299.462 2.786 20 0 CFADRP C[NH+]1CCC(C)(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236648356 778903880 /nfs/dbraw/zinc/90/38/80/778903880.db2.gz QIYSHOKIXKSSFE-QGZVFWFLSA-N 2 0 293.499 2.715 20 0 CFADRP [NH3+]CCCCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236682641 778909480 /nfs/dbraw/zinc/90/94/80/778909480.db2.gz XDMCIEKXFKAYQT-IYARVYRRSA-N 3 0 289.467 2.888 20 0 CFADRP CN1CCC[C@@H]2C[N@H+](Cc3cccc4occc43)C[C@@H]21 ZINC001236737317 778924553 /nfs/dbraw/zinc/92/45/53/778924553.db2.gz DEENSBBSQNZTFP-ZBFHGGJFSA-N 2 0 270.376 2.959 20 0 CFADRP CC[NH+](CC)CCCC[NH2+]C[C@H](O)c1cccc(C)c1 ZINC001120574837 778925517 /nfs/dbraw/zinc/92/55/17/778925517.db2.gz QSZZLLZBKCWHBV-KRWDZBQOSA-N 2 0 278.440 2.740 20 0 CFADRP CC[C@@H](N)C[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754039 778929035 /nfs/dbraw/zinc/92/90/35/778929035.db2.gz BMHPLAKVOKZLLL-BRWVUGGUSA-N 2 0 281.488 2.876 20 0 CFADRP CCC(CC)[N@H+](CC1(F)CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782857 778934081 /nfs/dbraw/zinc/93/40/81/778934081.db2.gz LFKWAXZGBUNGSN-KOMQPUFPSA-N 3 0 299.478 2.839 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@H]12 ZINC001236817645 778951914 /nfs/dbraw/zinc/95/19/14/778951914.db2.gz DUAXYIHCOZYIGK-VNQPRFMTSA-N 2 0 278.827 2.942 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001236826898 778954682 /nfs/dbraw/zinc/95/46/82/778954682.db2.gz CWVKBKHYJOFQPZ-USXIJHARSA-N 2 0 288.435 2.951 20 0 CFADRP CCCN(CCC[NH2+]C1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC001236828284 778956986 /nfs/dbraw/zinc/95/69/86/778956986.db2.gz HVIDGJKFZDKFGZ-INIZCTEOSA-N 2 0 281.488 2.620 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836186 778960494 /nfs/dbraw/zinc/96/04/94/778960494.db2.gz SPIRGPIGFIGQTG-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP C[NH+](C)C1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168422087 778960579 /nfs/dbraw/zinc/96/05/79/778960579.db2.gz VCPVNXZTSSEBFP-QGZVFWFLSA-N 2 0 276.399 2.709 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1ccc(-n2cccc2)cc1 ZINC001236868714 778968749 /nfs/dbraw/zinc/96/87/49/778968749.db2.gz GUQWWGPSROKUOP-HNNXBMFYSA-N 2 0 257.381 2.646 20 0 CFADRP C[NH+](C)CCN(CCC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001236922246 778981620 /nfs/dbraw/zinc/98/16/20/778981620.db2.gz FMRHIDOXHMXMNS-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP c1ccc(N2C[C@@H]3C[N@H+](CC[C@@H]4CCCC[NH2+]4)C[C@@H]3C2)cc1 ZINC001237037550 778995062 /nfs/dbraw/zinc/99/50/62/778995062.db2.gz JTSFMSQKIHZYMG-KSZLIROESA-N 2 0 299.462 2.587 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401061232 779029770 /nfs/dbraw/zinc/02/97/70/779029770.db2.gz XECSNYJKKMOCAS-YLFCFFPRSA-N 2 0 288.435 2.740 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401061229 779030310 /nfs/dbraw/zinc/03/03/10/779030310.db2.gz XECSNYJKKMOCAS-MWDXBVQZSA-N 2 0 288.435 2.740 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)C[C@H]1Cc2ccccc2O1 ZINC001237266783 779061896 /nfs/dbraw/zinc/06/18/96/779061896.db2.gz ZXCQCCNCANRXFS-GOSISDBHSA-N 2 0 294.398 2.725 20 0 CFADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2[nH]1 ZINC001237383924 779088771 /nfs/dbraw/zinc/08/87/71/779088771.db2.gz SUZIZZXDTCHKSA-RDJZCZTQSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)s1 ZINC001237391418 779093845 /nfs/dbraw/zinc/09/38/45/779093845.db2.gz KZICSXAGCGVKCT-HIFRSBDPSA-N 2 0 264.438 2.939 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)c1 ZINC001237400875 779096448 /nfs/dbraw/zinc/09/64/48/779096448.db2.gz AXUKITOLXXJYRY-QAPCUYQASA-N 2 0 288.435 2.886 20 0 CFADRP c1nc2cc(CN3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2s1 ZINC001237405574 779099099 /nfs/dbraw/zinc/09/90/99/779099099.db2.gz RJGABVHSYGHHOC-UONOGXRCSA-N 2 0 287.432 2.870 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)NCCC2 ZINC001237410378 779100802 /nfs/dbraw/zinc/10/08/02/779100802.db2.gz CMNCKJDYMUBDKG-IRXDYDNUSA-N 2 0 285.435 2.619 20 0 CFADRP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCCC[NH3+])cc1 ZINC001237411186 779101212 /nfs/dbraw/zinc/10/12/12/779101212.db2.gz OKMNBUPMAXUEOM-MRXNPFEDSA-N 2 0 290.407 2.739 20 0 CFADRP Fc1cc2cc[nH]c2c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237413674 779102176 /nfs/dbraw/zinc/10/21/76/779102176.db2.gz KMPHPJRDAAJZSG-XJKSGUPXSA-N 2 0 287.382 2.881 20 0 CFADRP c1nc2ccc(CN3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2s1 ZINC001237413942 779102449 /nfs/dbraw/zinc/10/24/49/779102449.db2.gz JTCLCXNKPOBOHS-UONOGXRCSA-N 2 0 287.432 2.870 20 0 CFADRP CCn1cncc1CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237597769 779138749 /nfs/dbraw/zinc/13/87/49/779138749.db2.gz XZNWSCAWKAXHSH-HOTGVXAUSA-N 2 0 290.455 2.742 20 0 CFADRP CCOc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(F)c1 ZINC001237629812 779149390 /nfs/dbraw/zinc/14/93/90/779149390.db2.gz DBSGXMBKMCYBMU-UHFFFAOYSA-N 2 0 292.398 2.752 20 0 CFADRP Cc1cccc2c(C[N@@H+]3CCC[C@H]([NH3+])CC3)c[nH]c21 ZINC001205093929 779165034 /nfs/dbraw/zinc/16/50/34/779165034.db2.gz IBZSVYYZPAUSPZ-AWEZNQCLSA-N 2 0 257.381 2.790 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001168453199 779179248 /nfs/dbraw/zinc/17/92/48/779179248.db2.gz ALNOEWGFWWABJI-BYCMXARLSA-N 2 0 250.361 2.616 20 0 CFADRP C(C[NH+]1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001278154480 779194895 /nfs/dbraw/zinc/19/48/95/779194895.db2.gz RAFFSKJLFASTBQ-HDICACEKSA-N 2 0 291.483 2.564 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H]([NH+](C)C)C3)cc21 ZINC001237881840 779198550 /nfs/dbraw/zinc/19/85/50/779198550.db2.gz WKCQCVWOTUEPIS-KRWDZBQOSA-N 2 0 299.462 2.824 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[N@@H+]4CC[C@@H]4C3)cc21 ZINC001237879196 779198844 /nfs/dbraw/zinc/19/88/44/779198844.db2.gz KBTOLOKAOJCPQY-QGZVFWFLSA-N 2 0 297.446 2.578 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@@H](O)C3)cc21 ZINC001237881833 779199221 /nfs/dbraw/zinc/19/92/21/779199221.db2.gz VYAHUMPDBJECOU-MRXNPFEDSA-N 2 0 286.419 2.645 20 0 CFADRP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cc2c1 ZINC001205102388 779212351 /nfs/dbraw/zinc/21/23/51/779212351.db2.gz REACGUJTTKHAMF-CQSZACIVSA-N 2 0 257.381 2.790 20 0 CFADRP C[N@H+]1CC[C@H]2C[NH+](CCc3c[nH]c4ccccc34)C[C@H]2CC1 ZINC001278168120 779217310 /nfs/dbraw/zinc/21/73/10/779217310.db2.gz QRKBNPFTYPAMJM-CALCHBBNSA-N 2 0 297.446 2.984 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1[nH]nc2cc(Cl)ccc21 ZINC001238004408 779228462 /nfs/dbraw/zinc/22/84/62/779228462.db2.gz MLPOOBRRHKAXJI-UHFFFAOYSA-N 2 0 294.830 2.990 20 0 CFADRP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205110621 779237106 /nfs/dbraw/zinc/23/71/06/779237106.db2.gz XEMLFUVMCUJBBI-LBPRGKRZSA-N 2 0 287.329 2.722 20 0 CFADRP c1[nH+]cn2c1cccc2CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001238113409 779255990 /nfs/dbraw/zinc/25/59/90/779255990.db2.gz KMQKCOPFGXWVKA-QGZVFWFLSA-N 2 0 298.434 2.785 20 0 CFADRP COc1c(C)cnc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c1C ZINC001238178897 779271486 /nfs/dbraw/zinc/27/14/86/779271486.db2.gz YMVCPCCGMKBNSP-OAHLLOKOSA-N 2 0 291.439 2.622 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cncc(C3CC3)c2)CC1 ZINC001238185857 779272983 /nfs/dbraw/zinc/27/29/83/779272983.db2.gz RDTPULHXDWHZIL-UHFFFAOYSA-N 2 0 273.424 2.733 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(-c3cc[nH]n3)c1)CC2 ZINC001238201926 779280174 /nfs/dbraw/zinc/28/01/74/779280174.db2.gz CXLGMAWBKQCJQD-UHFFFAOYSA-N 2 0 296.418 2.604 20 0 CFADRP C[C@H]1C[N@H+](CCc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC001205130310 779284582 /nfs/dbraw/zinc/28/45/82/779284582.db2.gz BIMCFNIYDPTNDH-WCQYABFASA-N 2 0 286.341 2.775 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(-c3ccsc3)nc2)C[C@H]1C[NH3+] ZINC001205141104 779325549 /nfs/dbraw/zinc/32/55/49/779325549.db2.gz VYFHUNBCCCCTQB-SWLSCSKDSA-N 2 0 287.432 2.837 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001168494953 779342393 /nfs/dbraw/zinc/34/23/93/779342393.db2.gz DZEVNBCQSVKXTQ-AWEZNQCLSA-N 2 0 276.399 2.784 20 0 CFADRP CSc1cc(C)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC001238682510 779364128 /nfs/dbraw/zinc/36/41/28/779364128.db2.gz NUZLNKVOEMDRBW-GASCZTMLSA-N 2 0 276.449 2.710 20 0 CFADRP CCCC[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC001235664489 779366754 /nfs/dbraw/zinc/36/67/54/779366754.db2.gz UPEJGVWLNRSGFF-QGZVFWFLSA-N 2 0 276.424 2.667 20 0 CFADRP COc1c(C)cccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717753 779369321 /nfs/dbraw/zinc/36/93/21/779369321.db2.gz LPJBCPRXFVAQMS-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715269971 779377284 /nfs/dbraw/zinc/37/72/84/779377284.db2.gz LWCDCEZATKXKPF-GTPINHCMSA-N 3 0 283.504 2.959 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)C1(C)C ZINC001235928880 779409475 /nfs/dbraw/zinc/40/94/75/779409475.db2.gz DVKSYHOOPMTAQP-HRCADAONSA-N 2 0 262.441 2.910 20 0 CFADRP c1cc(C2CC[NH2+]CC2)ccc1C1=CCC[NH2+]CC1 ZINC001238940512 779422501 /nfs/dbraw/zinc/42/25/01/779422501.db2.gz BNCHYPJPEQUURL-UHFFFAOYSA-N 2 0 256.393 2.920 20 0 CFADRP CC[NH+](CC)Cc1ccncc1C1=CCC[NH2+]CC1 ZINC001238950184 779425124 /nfs/dbraw/zinc/42/51/24/779425124.db2.gz LTLKDFAUDAZZLO-UHFFFAOYSA-N 2 0 259.397 2.690 20 0 CFADRP CC[N@@H+](Cc1c(C)cc(F)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236412385 779558909 /nfs/dbraw/zinc/55/89/09/779558909.db2.gz TWVAFYADBIKUTC-CQSZACIVSA-N 2 0 264.388 2.874 20 0 CFADRP CCc1cccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c1 ZINC001212339288 779620646 /nfs/dbraw/zinc/62/06/46/779620646.db2.gz WQKKKQQRWURDSZ-INIZCTEOSA-N 2 0 288.395 2.602 20 0 CFADRP Cc1csc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237380298 779682485 /nfs/dbraw/zinc/68/24/85/779682485.db2.gz GLMYPBOBKZWUBP-OCCSQVGLSA-N 2 0 250.411 2.630 20 0 CFADRP COc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cn1 ZINC001239727637 779731788 /nfs/dbraw/zinc/73/17/88/779731788.db2.gz DEJFPPYYPJCOLM-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP [NH3+]Cc1cncc(-c2ccccc2C[NH+]2CCCC2)c1 ZINC001239797032 779779032 /nfs/dbraw/zinc/77/90/32/779779032.db2.gz LJRWUNNCCHQVMH-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001239804572 779787425 /nfs/dbraw/zinc/78/74/25/779787425.db2.gz SPQAMXODACFQER-UHFFFAOYSA-N 2 0 297.402 2.682 20 0 CFADRP [NH3+]Cc1cncc(-c2cccc(C3=[NH+]CCC3)c2)c1 ZINC001239807172 779789204 /nfs/dbraw/zinc/78/92/04/779789204.db2.gz RHDUQWZPWBSEDI-UHFFFAOYSA-N 2 0 251.333 2.790 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1(C)C ZINC001205210531 779918524 /nfs/dbraw/zinc/91/85/24/779918524.db2.gz PPBZMHUTXAAYNR-NVXWUHKLSA-N 2 0 280.456 2.545 20 0 CFADRP [NH3+]Cc1cc(-c2ccc(C[NH+]3CCCC3)cc2)ccn1 ZINC001240059794 779931206 /nfs/dbraw/zinc/93/12/06/779931206.db2.gz XLEORMMJISVYFZ-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001240246374 780026904 /nfs/dbraw/zinc/02/69/04/780026904.db2.gz NMBKMPXVQCOXHL-HNNXBMFYSA-N 2 0 295.430 2.779 20 0 CFADRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205247421 780034960 /nfs/dbraw/zinc/03/49/60/780034960.db2.gz HHBBSYZWEWNJLG-SFHVURJKSA-N 2 0 288.435 2.630 20 0 CFADRP [NH3+]C1(c2ccccc2-c2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001240459286 780180774 /nfs/dbraw/zinc/18/07/74/780180774.db2.gz XNIGJMIFYBHHSB-UHFFFAOYSA-N 2 0 264.372 2.947 20 0 CFADRP c1cc(C2=CC[NH2+]CC2)cc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c12 ZINC001240468683 780185684 /nfs/dbraw/zinc/18/56/84/780185684.db2.gz JXVRDLPMIKSUOG-VBQJREDUSA-N 2 0 294.402 2.753 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(O)c3ccccc23)CC1 ZINC001205033371 780197015 /nfs/dbraw/zinc/19/70/15/780197015.db2.gz CXBJOOAOXUQLDS-UHFFFAOYSA-N 2 0 270.376 2.716 20 0 CFADRP Cc1n[nH]cc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001240522741 780230172 /nfs/dbraw/zinc/23/01/72/780230172.db2.gz LWEBPFMPJNNMSC-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168675796 780266101 /nfs/dbraw/zinc/26/61/01/780266101.db2.gz HQOLMNVNLGEZKY-CQSZACIVSA-N 2 0 278.827 2.739 20 0 CFADRP Clc1cccc2c1C[C@@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC001168676497 780273016 /nfs/dbraw/zinc/27/30/16/780273016.db2.gz NLCQXHFVLKZRGI-AWEZNQCLSA-N 2 0 278.827 2.883 20 0 CFADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684173 780321629 /nfs/dbraw/zinc/32/16/29/780321629.db2.gz GOHMVEXYTHSABR-KBPBESRZSA-N 2 0 278.827 2.881 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCC2 ZINC000453232762 780424629 /nfs/dbraw/zinc/42/46/29/780424629.db2.gz USQPYEWPINUYSS-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCC2 ZINC000453232760 780425023 /nfs/dbraw/zinc/42/50/23/780425023.db2.gz USQPYEWPINUYSS-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCC2 ZINC000453232759 780425361 /nfs/dbraw/zinc/42/53/61/780425361.db2.gz USQPYEWPINUYSS-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000423510555 780442641 /nfs/dbraw/zinc/44/26/41/780442641.db2.gz MNPYPQKSLMPJFM-HOTGVXAUSA-N 2 0 284.407 2.857 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3cccc4c3C[NH2+]C4)cc2)CC1 ZINC001240854842 780479165 /nfs/dbraw/zinc/47/91/65/780479165.db2.gz KSQCKCSXLJOXKC-UHFFFAOYSA-N 2 0 293.414 2.709 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc(O)cc2)CC1 ZINC001241064193 780621945 /nfs/dbraw/zinc/62/19/45/780621945.db2.gz HXPQVJNVFHZKDH-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP C[N@H+]1CC=C(c2ccc(COC3CC[NH2+]CC3)cc2)CC1 ZINC001241327448 780783338 /nfs/dbraw/zinc/78/33/38/780783338.db2.gz LXSAYONXRJQIJC-UHFFFAOYSA-N 2 0 286.419 2.674 20 0 CFADRP CC(C)(C)Oc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162405813 780917269 /nfs/dbraw/zinc/91/72/69/780917269.db2.gz WXGCSHSAKMRILW-RYUDHWBXSA-N 2 0 263.385 2.941 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc(COC3CC[NH2+]CC3)cc2)C1 ZINC001241570518 780986514 /nfs/dbraw/zinc/98/65/14/780986514.db2.gz JBBATVNLGRQLDK-UHFFFAOYSA-N 2 0 286.419 2.674 20 0 CFADRP C[N@@H+]1CCC=C(c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)C1 ZINC001241570266 780987211 /nfs/dbraw/zinc/98/72/11/780987211.db2.gz FZTRGDPEFOEKBO-UHFFFAOYSA-N 3 0 299.462 2.576 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2cc(C[NH2+]C)ncn2)cc1 ZINC001241575256 780992583 /nfs/dbraw/zinc/99/25/83/780992583.db2.gz CJNNVVLOMXUJDR-UHFFFAOYSA-N 2 0 284.407 2.705 20 0 CFADRP [NH3+]C1(c2ccc(-c3cnn(C4CC[NH2+]CC4)c3)cc2)CCC1 ZINC001241775931 781123515 /nfs/dbraw/zinc/12/35/15/781123515.db2.gz GTWFAWGBTFJHTC-UHFFFAOYSA-N 2 0 296.418 2.813 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3cscn3)c2)CC1 ZINC001241892769 781169609 /nfs/dbraw/zinc/16/96/09/781169609.db2.gz SHMPCUHATOERRY-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(OCC3CC[NH2+]CC3)cn2)cc1 ZINC001241913464 781178428 /nfs/dbraw/zinc/17/84/28/781178428.db2.gz XGXBNFVZAJPRMZ-UHFFFAOYSA-N 2 0 297.402 2.586 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)C12CCCCC2 ZINC001118059454 781199118 /nfs/dbraw/zinc/19/91/18/781199118.db2.gz SDYPDOIQAWSZDT-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH3+])c1ccccc1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001241980859 781215141 /nfs/dbraw/zinc/21/51/41/781215141.db2.gz GQVVGLMGHREADW-HNNXBMFYSA-N 2 0 295.430 2.779 20 0 CFADRP CC[N@@H+]1CCc2cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2C1 ZINC001242021051 781235915 /nfs/dbraw/zinc/23/59/15/781235915.db2.gz CSHPVVADVGACCD-MSOLQXFVSA-N 2 0 268.404 2.972 20 0 CFADRP C[NH+](C)Cc1c[nH]c2nccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)c12 ZINC001242026076 781239594 /nfs/dbraw/zinc/23/95/94/781239594.db2.gz LEDIFTOJCVZSAG-KGLIPLIRSA-N 2 0 282.391 2.532 20 0 CFADRP Cn1cncc1-c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001242026246 781240432 /nfs/dbraw/zinc/24/04/32/781240432.db2.gz OGPPVCVUJCDKKW-CVEARBPZSA-N 2 0 265.360 2.995 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000709642925 781295577 /nfs/dbraw/zinc/29/55/77/781295577.db2.gz NSVWTNBXWVXMQS-NWDGAFQWSA-N 2 0 264.335 2.650 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)O1 ZINC000709678815 781298537 /nfs/dbraw/zinc/29/85/37/781298537.db2.gz DKJJHGIHJBYNOD-QLFBSQMISA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709732288 781304217 /nfs/dbraw/zinc/30/42/17/781304217.db2.gz KSURZONJNKRCHB-TZMCWYRMSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709731573 781304223 /nfs/dbraw/zinc/30/42/23/781304223.db2.gz CSEWOUNNYLVYIS-MELADBBJSA-N 2 0 268.445 2.639 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709335174 781309943 /nfs/dbraw/zinc/30/99/43/781309943.db2.gz MVRHRKGZLLSTNS-LSVZVQIISA-N 2 0 274.408 2.635 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)C12CCC2 ZINC000709827526 781319650 /nfs/dbraw/zinc/31/96/50/781319650.db2.gz JPGNMDUJIQPEOO-QDIHITRGSA-N 2 0 256.393 2.792 20 0 CFADRP CCC(C)(C)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709860142 781320428 /nfs/dbraw/zinc/32/04/28/781320428.db2.gz JXKYFDBGXPXPHW-GHMZBOCLSA-N 2 0 266.351 2.882 20 0 CFADRP CC(C)(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000709893389 781321772 /nfs/dbraw/zinc/32/17/72/781321772.db2.gz RZWRTFVQAKWYHI-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP C[N@@H+](Cc1cscc1Br)C[C@H]1C[C@@H]([NH3+])C1 ZINC000709956695 781324761 /nfs/dbraw/zinc/32/47/61/781324761.db2.gz XKHNCALTHHYINK-WAAGHKOSSA-N 2 0 289.242 2.680 20 0 CFADRP Cc1nc(C)c(C[N@H+](C)CCCCCC[NH3+])s1 ZINC000710833786 781340501 /nfs/dbraw/zinc/34/05/01/781340501.db2.gz LOJFMMFUIJYJGS-UHFFFAOYSA-N 2 0 255.431 2.711 20 0 CFADRP FC1(F)CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000711184830 781394626 /nfs/dbraw/zinc/39/46/26/781394626.db2.gz SGFJUOOAAZOEJT-NSHDSACASA-N 2 0 258.356 2.638 20 0 CFADRP FC[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000711444102 781434801 /nfs/dbraw/zinc/43/48/01/781434801.db2.gz QXNLZZCZVICTOR-ZDUSSCGKSA-N 2 0 262.372 2.514 20 0 CFADRP CC[NH+](CC)C1CCN(CCC[C@@H]2CCOC2)CC1 ZINC001118195850 781480518 /nfs/dbraw/zinc/48/05/18/781480518.db2.gz TYZVRKVQBRWLPF-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001168762917 781490272 /nfs/dbraw/zinc/49/02/72/781490272.db2.gz AUDPKJBZLBUNJF-CQSZACIVSA-N 2 0 276.428 2.506 20 0 CFADRP C[NH+]1CCC(n2cc(-c3ccc4c(c3)[C@@H]([NH3+])CC4)cn2)CC1 ZINC001242731102 781726943 /nfs/dbraw/zinc/72/69/43/781726943.db2.gz UMMWUWDGIFTJQP-SFHVURJKSA-N 2 0 296.418 2.763 20 0 CFADRP C[NH+]1CCC(n2cc(-c3cccc4c3CC[C@@H]4[NH3+])cn2)CC1 ZINC001242730208 781727334 /nfs/dbraw/zinc/72/73/34/781727334.db2.gz BQNZMPKOHUHHLG-SFHVURJKSA-N 2 0 296.418 2.763 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccnc3[nH]cc(C[NH+](C)C)c32)cc1 ZINC001242991742 781904496 /nfs/dbraw/zinc/90/44/96/781904496.db2.gz FLQWFXGEOZUWLZ-UHFFFAOYSA-N 2 0 294.402 2.963 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001242997796 781913013 /nfs/dbraw/zinc/91/30/13/781913013.db2.gz NLAYCRPELYGATO-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccccc2CN2CC[C@H]([NH3+])C2)c1 ZINC001242998795 781913147 /nfs/dbraw/zinc/91/31/47/781913147.db2.gz ZGOFNJJLCBMEBC-SFHVURJKSA-N 2 0 295.430 2.606 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449215555 282081283 /nfs/dbraw/zinc/08/12/83/282081283.db2.gz ZVEOBJFNKONNPI-UYSNPLJNSA-N 2 0 280.456 2.798 20 0 CFADRP COC(=O)c1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(C)o1 ZINC000594610002 349462162 /nfs/dbraw/zinc/46/21/62/349462162.db2.gz QXMCITLYNAXBKB-UHFFFAOYSA-N 2 0 296.411 2.585 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085128038 282087094 /nfs/dbraw/zinc/08/70/94/282087094.db2.gz VCHPPIVUBPTUJM-MNOVXSKESA-N 2 0 252.324 2.649 20 0 CFADRP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397123 282090074 /nfs/dbraw/zinc/09/00/74/282090074.db2.gz MNYFJVGAWBKSBV-CVEARBPZSA-N 2 0 298.434 2.607 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000127666531 187325054 /nfs/dbraw/zinc/32/50/54/187325054.db2.gz UCMOHMCMTYFYPF-DLBZAZTESA-N 2 0 289.467 2.590 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1C ZINC000127750642 187330877 /nfs/dbraw/zinc/33/08/77/187330877.db2.gz LWHVNCWKBVVZKF-SWLSCSKDSA-N 2 0 289.398 2.922 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)s1 ZINC000127818645 187334622 /nfs/dbraw/zinc/33/46/22/187334622.db2.gz PPSBGZYSTCVOFP-KGLIPLIRSA-N 2 0 295.496 2.597 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290185318 197623890 /nfs/dbraw/zinc/62/38/90/197623890.db2.gz FOUQGXAUQPNAKG-CABCVRRESA-N 2 0 293.455 2.936 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CSCCF)C[NH+]1CCCCC1 ZINC000595010395 349547983 /nfs/dbraw/zinc/54/79/83/349547983.db2.gz BTWVCDDUHDDKAP-KGLIPLIRSA-N 2 0 276.465 2.789 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595014164 349550077 /nfs/dbraw/zinc/55/00/77/349550077.db2.gz LSYORLDETPVKRU-CABCVRRESA-N 2 0 298.471 2.676 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000595033744 349557782 /nfs/dbraw/zinc/55/77/82/349557782.db2.gz SXKDFUQPYJQMTD-ZDUSSCGKSA-N 2 0 276.465 2.789 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000595004281 349543775 /nfs/dbraw/zinc/54/37/75/349543775.db2.gz OJGSZTOLYRDMFR-LLVKDONJSA-N 2 0 276.465 2.976 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000595053248 349566721 /nfs/dbraw/zinc/56/67/21/349566721.db2.gz JRSRVDHBZCJPEU-IYXRBSQSSA-N 2 0 274.449 2.684 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000595065896 349572520 /nfs/dbraw/zinc/57/25/20/349572520.db2.gz FXEDAHCAYHBETK-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000595099632 349581338 /nfs/dbraw/zinc/58/13/38/349581338.db2.gz MPNDAYJAPHWMAC-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000595100518 349582442 /nfs/dbraw/zinc/58/24/42/349582442.db2.gz UVYPUTUJJVFKMQ-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125300136 187178546 /nfs/dbraw/zinc/17/85/46/187178546.db2.gz RCVNXERGOHOTLV-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000125472171 187186444 /nfs/dbraw/zinc/18/64/44/187186444.db2.gz NVBPFLFYHLKZRZ-CYBMUJFWSA-N 2 0 250.386 2.971 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125521688 187189073 /nfs/dbraw/zinc/18/90/73/187189073.db2.gz ZUKIFFNJCUYLCS-CWRNSKLLSA-N 2 0 276.399 2.973 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422931876 529495369 /nfs/dbraw/zinc/49/53/69/529495369.db2.gz YHUWBQQXRKENNZ-RISCZKNCSA-N 2 0 282.815 2.695 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])Oc1cccc(F)c1 ZINC000422845011 529495754 /nfs/dbraw/zinc/49/57/54/529495754.db2.gz AQFZFJVUMHPQJF-OCCSQVGLSA-N 2 0 268.376 2.700 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422814118 529495814 /nfs/dbraw/zinc/49/58/14/529495814.db2.gz ZPJMXZJGNCKVQB-QAPCUYQASA-N 2 0 289.467 2.540 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1Cl ZINC000335054501 282188120 /nfs/dbraw/zinc/18/81/20/282188120.db2.gz HERFKXBUMLWOAM-ZDUSSCGKSA-N 2 0 279.815 2.966 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000070183618 346907325 /nfs/dbraw/zinc/90/73/25/346907325.db2.gz YEABZEGGCPQETK-UHFFFAOYSA-N 2 0 262.397 2.646 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828666 529539651 /nfs/dbraw/zinc/53/96/51/529539651.db2.gz JEXCHXQUWCFYOT-SJORKVTESA-N 2 0 260.425 2.905 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c[nH]c21 ZINC000422915822 529553805 /nfs/dbraw/zinc/55/38/05/529553805.db2.gz ZETYQTYBMGMBNO-OLZOCXBDSA-N 2 0 273.424 2.988 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414997373 529568391 /nfs/dbraw/zinc/56/83/91/529568391.db2.gz HFXPXGWVCIHIRG-CJNGLKHVSA-N 2 0 276.424 2.865 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H]1C ZINC000414156696 529593540 /nfs/dbraw/zinc/59/35/40/529593540.db2.gz VITOIQXELXFNEK-MAZHCROVSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000423282449 529610625 /nfs/dbraw/zinc/61/06/25/529610625.db2.gz WOWKVYXQRDQBJT-JSGCOSHPSA-N 2 0 280.412 2.600 20 0 CFADRP CC[C@H]([NH2+]CCCC(C)(C)COC)[C@@H]1CCC[NH2+]1 ZINC000423133682 529595952 /nfs/dbraw/zinc/59/59/52/529595952.db2.gz VVLUNJDKLOVQIW-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP CC[C@H]([NH2+]CCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000423181315 529597650 /nfs/dbraw/zinc/59/76/50/529597650.db2.gz OTTOBYALSBVIBN-LBPRGKRZSA-N 2 0 258.312 2.678 20 0 CFADRP CC[C@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422733388 529612310 /nfs/dbraw/zinc/61/23/10/529612310.db2.gz QXTQOQKTKVSPCK-ULQDDVLXSA-N 2 0 293.430 2.549 20 0 CFADRP CC[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422962117 529613638 /nfs/dbraw/zinc/61/36/38/529613638.db2.gz DWKIZDBFUCJRQM-JYJNAYRXSA-N 2 0 291.439 2.537 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(OC)c1 ZINC000425949139 529617757 /nfs/dbraw/zinc/61/77/57/529617757.db2.gz DOTPGYXNGGPOPV-BBRMVZONSA-N 2 0 264.413 2.934 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423296286 529617848 /nfs/dbraw/zinc/61/78/48/529617848.db2.gz GLHGBCFXUBVCBB-MFKMUULPSA-N 2 0 272.339 2.924 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422855079 529656339 /nfs/dbraw/zinc/65/63/39/529656339.db2.gz DILFWTHNUWDYJI-OWCLPIDISA-N 2 0 294.464 2.557 20 0 CFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1C[C@@H]1C ZINC000414163044 529633312 /nfs/dbraw/zinc/63/33/12/529633312.db2.gz MTVWVFFYOPMVMK-IMJJTQAJSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000423557524 529660824 /nfs/dbraw/zinc/66/08/24/529660824.db2.gz ZXIGVFKTYBCEQI-MXYBEHONSA-N 2 0 277.387 2.650 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422937372 529665164 /nfs/dbraw/zinc/66/51/64/529665164.db2.gz GEVXGJXVMPDYRX-SCRDCRAPSA-N 2 0 278.396 2.624 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000423108754 529670217 /nfs/dbraw/zinc/67/02/17/529670217.db2.gz ROLHBUGDLHNVBJ-GJZGRUSLSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422909779 529677446 /nfs/dbraw/zinc/67/74/46/529677446.db2.gz GUHOBAPFOCJNFT-IRXDYDNUSA-N 2 0 291.439 2.570 20 0 CFADRP CCC(CC)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290415785 197701072 /nfs/dbraw/zinc/70/10/72/197701072.db2.gz ULASVBIYOCITCW-UHFFFAOYSA-N 2 0 279.428 2.690 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149164 282957819 /nfs/dbraw/zinc/95/78/19/282957819.db2.gz XGZSSUYHCUOVBL-IVSAIRAKSA-N 2 0 290.382 2.723 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149167 282957872 /nfs/dbraw/zinc/95/78/72/282957872.db2.gz XGZSSUYHCUOVBL-QSJFSLAZSA-N 2 0 290.382 2.723 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347003995 282244152 /nfs/dbraw/zinc/24/41/52/282244152.db2.gz APMBBIPKFHBKDH-GDBMZVCRSA-N 2 0 298.434 2.740 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000423266495 290680793 /nfs/dbraw/zinc/68/07/93/290680793.db2.gz DBUODTLYMNDDFY-CJNGLKHVSA-N 2 0 264.413 2.837 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126759057 187261128 /nfs/dbraw/zinc/26/11/28/187261128.db2.gz OPTBUCUPRWPEBZ-FVQBIDKESA-N 2 0 274.408 2.540 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000423395615 529721015 /nfs/dbraw/zinc/72/10/15/529721015.db2.gz RDXZJGBTPUHRTC-HNNXBMFYSA-N 2 0 290.451 2.916 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000126827839 187264574 /nfs/dbraw/zinc/26/45/74/187264574.db2.gz BRKKCBIVMGNIIC-MFKMUULPSA-N 2 0 254.324 2.793 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442866344 534947377 /nfs/dbraw/zinc/94/73/77/534947377.db2.gz ICPLZPXKTJKCKX-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP Fc1cc(F)cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128026905 187346387 /nfs/dbraw/zinc/34/63/87/187346387.db2.gz XPACBUJBEGKAMD-HZPDHXFCSA-N 2 0 280.362 2.724 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2cccc(N(C)C)c2)CC1 ZINC000119836124 539363169 /nfs/dbraw/zinc/36/31/69/539363169.db2.gz WFPYCZPSLJIKKK-UHFFFAOYSA-N 2 0 275.440 2.717 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)N1CCC(C)CC1 ZINC000348088750 539368010 /nfs/dbraw/zinc/36/80/10/539368010.db2.gz SYRKICOPAFWAFK-BMFZPTHFSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCCc1c(F)cccc1Cl)C1CC([NH3+])C1 ZINC000414766193 529896455 /nfs/dbraw/zinc/89/64/55/529896455.db2.gz DIJGTOILTLECMM-UHFFFAOYSA-N 2 0 270.779 2.833 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422707749 529917716 /nfs/dbraw/zinc/91/77/16/529917716.db2.gz WZZLEBYGPVCWKT-KURKYZTESA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000120464132 539385140 /nfs/dbraw/zinc/38/51/40/539385140.db2.gz MKPAADHYQOVFER-PBHICJAKSA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348108079 539386690 /nfs/dbraw/zinc/38/66/90/539386690.db2.gz WUKYFXSPUGBLDZ-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000097862616 529958860 /nfs/dbraw/zinc/95/88/60/529958860.db2.gz ZVOAKYPKVBMCOZ-UHFFFAOYSA-N 2 0 283.419 2.975 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000090457510 539388336 /nfs/dbraw/zinc/38/83/36/539388336.db2.gz PMPKNYHAHFACBE-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414860196 529971388 /nfs/dbraw/zinc/97/13/88/529971388.db2.gz OUTIHIDHAQXZRP-CQSZACIVSA-N 2 0 291.439 2.726 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423204993 529971718 /nfs/dbraw/zinc/97/17/18/529971718.db2.gz VATDUXYNCPVQDV-SNVBAGLBSA-N 2 0 260.303 2.966 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000414860299 529971086 /nfs/dbraw/zinc/97/10/86/529971086.db2.gz PEZGKOYKHJQHOM-UHFFFAOYSA-N 2 0 258.365 2.548 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414843956 529985141 /nfs/dbraw/zinc/98/51/41/529985141.db2.gz QTGJLFYBJSVFLW-VXGBXAGGSA-N 2 0 254.805 2.889 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414831363 529985164 /nfs/dbraw/zinc/98/51/64/529985164.db2.gz DAOJBZIAVGAIKJ-LLVKDONJSA-N 2 0 292.814 2.675 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423281940 529986113 /nfs/dbraw/zinc/98/61/13/529986113.db2.gz VZCSWFKLCXWOMI-BQGCOEIASA-N 2 0 276.424 2.632 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423275788 529986364 /nfs/dbraw/zinc/98/63/64/529986364.db2.gz NKOFIRKKRQTNAS-YGRLFVJLSA-N 2 0 252.789 2.772 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)[NH3+])CC1 ZINC000423280767 529998530 /nfs/dbraw/zinc/99/85/30/529998530.db2.gz ACFWHRYKWFIEHQ-UHFFFAOYSA-N 3 0 289.467 2.757 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCC[NH3+])CC1 ZINC000423317631 529998535 /nfs/dbraw/zinc/99/85/35/529998535.db2.gz CQVRWBAVDYSBBL-UHFFFAOYSA-N 3 0 289.467 2.758 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414850150 529998594 /nfs/dbraw/zinc/99/85/94/529998594.db2.gz YVOZDOGHJGCCGL-NSHDSACASA-N 2 0 254.443 2.991 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414836911 529998798 /nfs/dbraw/zinc/99/87/98/529998798.db2.gz JTLDAFJZULXFDI-JTQLQIEISA-N 2 0 276.302 2.530 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000423283084 529998853 /nfs/dbraw/zinc/99/88/53/529998853.db2.gz XBLFDGMPEFWYGB-RYUDHWBXSA-N 2 0 276.380 2.948 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNCC1([NH3+])CCC1 ZINC000414878900 529999202 /nfs/dbraw/zinc/99/92/02/529999202.db2.gz HZIHLFIFZFJLSY-UHFFFAOYSA-N 2 0 289.467 2.616 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCc1ccccc1F ZINC000414832134 529999230 /nfs/dbraw/zinc/99/92/30/529999230.db2.gz DUDZJDJXRWGTMH-QWHCGFSZSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000423277256 529999437 /nfs/dbraw/zinc/99/94/37/529999437.db2.gz PLPQLCXOOLMRSB-YOEHRIQHSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423278181 529999751 /nfs/dbraw/zinc/99/97/51/529999751.db2.gz QRRMLGXIMQDADW-NWDGAFQWSA-N 2 0 282.453 2.923 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423282674 529999779 /nfs/dbraw/zinc/99/97/79/529999779.db2.gz WQVHJRSKGXLLDE-MELADBBJSA-N 2 0 294.439 2.641 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414852308 530000016 /nfs/dbraw/zinc/00/00/16/530000016.db2.gz QTHDNRWGZQNZHW-XIRDDKMYSA-N 2 0 260.425 2.942 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000422742768 530009221 /nfs/dbraw/zinc/00/92/21/530009221.db2.gz QJYVSGRMECYUKI-INIZCTEOSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@@H](CO)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000121235153 539401227 /nfs/dbraw/zinc/40/12/27/539401227.db2.gz UUZSYVZUPSWQPQ-CVEARBPZSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000089145514 293244995 /nfs/dbraw/zinc/24/49/95/293244995.db2.gz NZLRUOZKSIPDMT-UHTWSYAYSA-N 2 0 267.442 2.928 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127304118 187295680 /nfs/dbraw/zinc/29/56/80/187295680.db2.gz WKJBMYBYFLCJQP-WMZOPIPTSA-N 2 0 289.467 2.753 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348372115 539437823 /nfs/dbraw/zinc/43/78/23/539437823.db2.gz HVIPQYCSCMMJBD-ZJPYXAASSA-N 2 0 292.467 2.533 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1OC ZINC000423428449 282390224 /nfs/dbraw/zinc/39/02/24/282390224.db2.gz RFJHZYDCYVLRFY-VGWMRTNUSA-N 2 0 282.472 2.935 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000070463838 539492214 /nfs/dbraw/zinc/49/22/14/539492214.db2.gz UAHYDKVYGJBDEG-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127494424 187310556 /nfs/dbraw/zinc/31/05/56/187310556.db2.gz BKXCIFURNCZCKV-IAGOWNOFSA-N 2 0 289.467 2.590 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000668474643 539518880 /nfs/dbraw/zinc/51/88/80/539518880.db2.gz BWFUMLRDYHSCIW-CABCVRRESA-N 2 0 271.493 2.530 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCC12CCCC2 ZINC000668475986 539519565 /nfs/dbraw/zinc/51/95/65/539519565.db2.gz UIIRACHCZVWSCA-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CCc1ccc(C)[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668478349 539520459 /nfs/dbraw/zinc/52/04/59/539520459.db2.gz NJSOVOUSOBQHJW-CABCVRRESA-N 2 0 259.397 2.991 20 0 CFADRP CC[C@H](O)CC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090189310 539527222 /nfs/dbraw/zinc/52/72/22/539527222.db2.gz AWRKTGFQDNSILP-SJORKVTESA-N 2 0 290.451 2.790 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](C)[C@H]1OC ZINC000422993208 282459704 /nfs/dbraw/zinc/45/97/04/282459704.db2.gz RBHSTNFXAVWSRV-KBUPBQIOSA-N 2 0 270.461 2.933 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128377542 187367748 /nfs/dbraw/zinc/36/77/48/187367748.db2.gz HLTVXKVDKUPPIX-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422934444 282481251 /nfs/dbraw/zinc/48/12/51/282481251.db2.gz FZJPMLICFMIUQX-PFSRBDOWSA-N 2 0 268.445 2.687 20 0 CFADRP CCc1ccc(C[NH2+]CC2CC[NH+](CC)CC2)o1 ZINC000051724951 346506303 /nfs/dbraw/zinc/50/63/03/346506303.db2.gz SFJAGIDUMKONIX-UHFFFAOYSA-N 2 0 250.386 2.664 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](C[C@H]3CCCCO3)CC2)CC1 ZINC000052184196 346516440 /nfs/dbraw/zinc/51/64/40/346516440.db2.gz VAARXKLEATZDNV-GOSISDBHSA-N 2 0 294.483 2.999 20 0 CFADRP CCc1nc(C[NH2+]CC2CC[NH+](CC)CC2)cs1 ZINC000050285658 346491766 /nfs/dbraw/zinc/49/17/66/346491766.db2.gz XOXYJZOEMNJUDL-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP CC[C@H]([NH2+]CCC1(CSC)CC1)[C@@H]1CCC[NH2+]1 ZINC000596651369 349968893 /nfs/dbraw/zinc/96/88/93/349968893.db2.gz OXCPOBMTRZIFAJ-STQMWFEESA-N 2 0 256.459 2.640 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000596652422 349969287 /nfs/dbraw/zinc/96/92/87/349969287.db2.gz UHBNJBFATZONPW-CHWSQXEVSA-N 2 0 256.459 2.769 20 0 CFADRP CC(C)C1CCC([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000054554668 346572960 /nfs/dbraw/zinc/57/29/60/346572960.db2.gz UAKCFIKXELXEBS-UHFFFAOYSA-N 2 0 295.515 2.817 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422891545 282507878 /nfs/dbraw/zinc/50/78/78/282507878.db2.gz VUECQXSWTWBIPO-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000423019076 282512188 /nfs/dbraw/zinc/51/21/88/282512188.db2.gz TWNFUYBJOPXTTE-OAGGEKHMSA-N 2 0 294.826 2.902 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000076762829 347152151 /nfs/dbraw/zinc/15/21/51/347152151.db2.gz KVRNJPRYZKYGCL-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000563616112 290163939 /nfs/dbraw/zinc/16/39/39/290163939.db2.gz ZHHAUOCINYDHCH-NSHDSACASA-N 2 0 261.413 2.936 20 0 CFADRP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)C[NH+]1CCCC1 ZINC000102423350 185778178 /nfs/dbraw/zinc/77/81/78/185778178.db2.gz WBLPLPOSUUZTIX-HNNXBMFYSA-N 2 0 286.419 2.784 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(COC)c2)CC1 ZINC000088553636 347505451 /nfs/dbraw/zinc/50/54/51/347505451.db2.gz JUGWLUQLDAODQG-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000090972601 347563341 /nfs/dbraw/zinc/56/33/41/347563341.db2.gz SVQXAENCQHDLKT-YOEHRIQHSA-N 2 0 272.436 2.721 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090948633 347563593 /nfs/dbraw/zinc/56/35/93/347563593.db2.gz HGJOZLXROHIHCA-JSGCOSHPSA-N 2 0 295.496 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000090972600 347563742 /nfs/dbraw/zinc/56/37/42/347563742.db2.gz SVQXAENCQHDLKT-PBHICJAKSA-N 2 0 272.436 2.721 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000091369094 347583893 /nfs/dbraw/zinc/58/38/93/347583893.db2.gz ZJVRVEVSGGABJD-IRXDYDNUSA-N 2 0 293.455 2.725 20 0 CFADRP CC(C)C1(C[NH2+][C@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000090230949 347546767 /nfs/dbraw/zinc/54/67/67/347546767.db2.gz BPGDHGWVTSXXJW-IKGGRYGDSA-N 2 0 294.483 2.902 20 0 CFADRP C1=CC[C@H](C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000093536551 347678591 /nfs/dbraw/zinc/67/85/91/347678591.db2.gz AFRDPVHOUGCLER-YVSFHVDLSA-N 2 0 260.425 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093516146 347678688 /nfs/dbraw/zinc/67/86/88/347678688.db2.gz ZBEKCNHYJCHBSO-RDJZCZTQSA-N 3 0 281.488 2.619 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000093942335 347689197 /nfs/dbraw/zinc/68/91/97/347689197.db2.gz AYTAMJKQCBRUSM-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000094009721 347690228 /nfs/dbraw/zinc/69/02/28/347690228.db2.gz WVARHXQVSGKNOL-JTQLQIEISA-N 2 0 254.324 2.615 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094424206 347695207 /nfs/dbraw/zinc/69/52/07/347695207.db2.gz LUOCJKANNWZYCU-AWEZNQCLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093214212 347665463 /nfs/dbraw/zinc/66/54/63/347665463.db2.gz VOVYUJCWDGHVRY-SNPRPXQTSA-N 2 0 262.397 2.573 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Cl ZINC000563898687 290182531 /nfs/dbraw/zinc/18/25/31/290182531.db2.gz OLDOBVLKWZBDJX-JHJVBQTASA-N 2 0 282.815 2.967 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000124515694 347824446 /nfs/dbraw/zinc/82/44/46/347824446.db2.gz GXUTZONIHYESPQ-TZMCWYRMSA-N 2 0 282.815 2.921 20 0 CFADRP C(C[NH+]1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000128213955 347848729 /nfs/dbraw/zinc/84/87/29/347848729.db2.gz IOUHPNOTGGJEAI-UHFFFAOYSA-N 2 0 293.499 2.859 20 0 CFADRP CC(C)(C)C1CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000134748181 347900884 /nfs/dbraw/zinc/90/08/84/347900884.db2.gz MJKQIHZMNKLOKP-PYBGIAKNSA-N 2 0 264.457 2.990 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc(Cl)c1F ZINC000136060701 347909107 /nfs/dbraw/zinc/90/91/07/347909107.db2.gz SDRYYGOKAORSQC-KOLCDFICSA-N 2 0 256.752 2.791 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150305360 347956524 /nfs/dbraw/zinc/95/65/24/347956524.db2.gz UXKSKSDBIJIGKK-ZWNOBZJWSA-N 2 0 254.324 2.936 20 0 CFADRP [NH3+]C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000148663929 347951235 /nfs/dbraw/zinc/95/12/35/347951235.db2.gz LMECFEKTCBGBBA-UHFFFAOYSA-N 2 0 270.376 2.642 20 0 CFADRP CSCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154736059 347982172 /nfs/dbraw/zinc/98/21/72/347982172.db2.gz HFYSCGRXUXLVFI-ZDUSSCGKSA-N 2 0 282.453 2.641 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000062253053 290843842 /nfs/dbraw/zinc/84/38/42/290843842.db2.gz GNFMFNHMEHNDNH-GJZGRUSLSA-N 2 0 294.414 2.805 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000234264667 348220296 /nfs/dbraw/zinc/22/02/96/348220296.db2.gz WIDRMFNYDSTOCC-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000234741846 348222914 /nfs/dbraw/zinc/22/29/14/348222914.db2.gz XPJQFAFHNWFZGP-LSDHHAIUSA-N 2 0 294.439 2.878 20 0 CFADRP COc1cccc2c1ccnc2NC[C@@H]1CCC[N@H+](C)C1 ZINC000235033478 348224320 /nfs/dbraw/zinc/22/43/20/348224320.db2.gz DITCBVMFQCEDRY-ZDUSSCGKSA-N 2 0 285.391 2.997 20 0 CFADRP CN(CCC[NH3+])Cc1cc(Cl)ccc1Br ZINC000227742810 348190720 /nfs/dbraw/zinc/19/07/20/348190720.db2.gz RSUBJYYYIYAZMI-UHFFFAOYSA-N 2 0 291.620 2.883 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250319022 348287017 /nfs/dbraw/zinc/28/70/17/348287017.db2.gz MWHIJJHTUXBARQ-KZNAEPCWSA-N 3 0 293.499 2.619 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C12CCC2 ZINC000250514784 348288110 /nfs/dbraw/zinc/28/81/10/348288110.db2.gz OKGHWHNVSLBWFH-BZUAXINKSA-N 2 0 280.456 2.654 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250659026 348288476 /nfs/dbraw/zinc/28/84/76/348288476.db2.gz CZALRSGCBZOGEE-HZPDHXFCSA-N 2 0 296.455 2.574 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1C ZINC000252121469 348294610 /nfs/dbraw/zinc/29/46/10/348294610.db2.gz JKVGAZDYKWUWGD-KBPBESRZSA-N 2 0 258.409 2.953 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc2c1 ZINC000564453528 290210134 /nfs/dbraw/zinc/21/01/34/290210134.db2.gz OPUQGTPPSMUSSF-WDEREUQCSA-N 2 0 262.353 2.657 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000312576601 348419444 /nfs/dbraw/zinc/41/94/44/348419444.db2.gz POYHGTPTSJUAGV-UHFFFAOYSA-N 2 0 258.818 2.962 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000401930152 348580126 /nfs/dbraw/zinc/58/01/26/348580126.db2.gz VMLUWLZOXZWQBR-AHCXZYCDSA-N 2 0 288.435 2.664 20 0 CFADRP CSC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000400085704 348571362 /nfs/dbraw/zinc/57/13/62/348571362.db2.gz QBICGUKZAGEPDT-MRXNPFEDSA-N 2 0 276.449 2.660 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000400919144 348575620 /nfs/dbraw/zinc/57/56/20/348575620.db2.gz DZPWUGJUAPEVKF-UXXRCYHCSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)CC[NH2+]1 ZINC000414753813 297253244 /nfs/dbraw/zinc/25/32/44/297253244.db2.gz FFKTVPUIHJDVDT-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000564722404 290226875 /nfs/dbraw/zinc/22/68/75/290226875.db2.gz LNJRABGZQPMSNV-QWHCGFSZSA-N 2 0 296.377 2.544 20 0 CFADRP CC[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091929282 539670984 /nfs/dbraw/zinc/67/09/84/539670984.db2.gz OITVLYAGLXRQQH-HNNXBMFYSA-N 2 0 276.424 2.859 20 0 CFADRP C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000231791243 539680651 /nfs/dbraw/zinc/68/06/51/539680651.db2.gz VZKCWRSLYSLMMO-UWVGGRQHSA-N 2 0 252.324 2.647 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000126145331 539680679 /nfs/dbraw/zinc/68/06/79/539680679.db2.gz BRVIPDFBWYUZCU-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397663071 539701984 /nfs/dbraw/zinc/70/19/84/539701984.db2.gz HJPQHJSOSCZJGN-CVEARBPZSA-N 2 0 295.515 2.817 20 0 CFADRP CN1CCC[C@@H](C[N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC000591084538 348985734 /nfs/dbraw/zinc/98/57/34/348985734.db2.gz QDVBUKWDQDLFSE-RHSMWYFYSA-N 2 0 258.409 2.948 20 0 CFADRP COc1ccc(F)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591082421 348985896 /nfs/dbraw/zinc/98/58/96/348985896.db2.gz GKIAOMBJZHPTCA-HNNXBMFYSA-N 2 0 289.354 2.868 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C1CC[NH+](C)CC1 ZINC000127124396 539711401 /nfs/dbraw/zinc/71/14/01/539711401.db2.gz BNKXWSFIRTWPSS-GDBMZVCRSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414194572 233193132 /nfs/dbraw/zinc/19/31/32/233193132.db2.gz UKUZXBYBCFUGMP-STQMWFEESA-N 2 0 265.376 2.603 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000597129672 350034471 /nfs/dbraw/zinc/03/44/71/350034471.db2.gz NYUWGPHKWGWMNA-LSDHHAIUSA-N 2 0 298.471 2.674 20 0 CFADRP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000597239678 350068720 /nfs/dbraw/zinc/06/87/20/350068720.db2.gz MQEFQKGEJLWBPJ-DOTOQJQBSA-N 2 0 296.455 2.571 20 0 CFADRP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000597239680 350068948 /nfs/dbraw/zinc/06/89/48/350068948.db2.gz MQEFQKGEJLWBPJ-RDJZCZTQSA-N 2 0 296.455 2.571 20 0 CFADRP Cc1csc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000080275419 539756996 /nfs/dbraw/zinc/75/69/96/539756996.db2.gz CATONLNSUBIDIO-RYUDHWBXSA-N 2 0 267.442 2.832 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)C ZINC000090937011 180068139 /nfs/dbraw/zinc/06/81/39/180068139.db2.gz DSILMWNZVNDNJS-ZDUSSCGKSA-N 2 0 279.428 2.546 20 0 CFADRP Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414753117 233342633 /nfs/dbraw/zinc/34/26/33/233342633.db2.gz LSKFBBQXMVNILU-KBPBESRZSA-N 2 0 264.388 2.954 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414797392 233354584 /nfs/dbraw/zinc/35/45/84/233354584.db2.gz IOYSXLDUDOHHMA-QZWWFDLISA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414800782 233355724 /nfs/dbraw/zinc/35/57/24/233355724.db2.gz LJGDCIJEWGZCEW-XPKDYRNWSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414800790 233356629 /nfs/dbraw/zinc/35/66/29/233356629.db2.gz LKVAAAXRBAPRJT-DLBZAZTESA-N 2 0 288.435 2.661 20 0 CFADRP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000414770838 233346910 /nfs/dbraw/zinc/34/69/10/233346910.db2.gz PNMFAZQAILEWEB-BMFZPTHFSA-N 2 0 276.399 2.861 20 0 CFADRP Fc1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414782260 233349510 /nfs/dbraw/zinc/34/95/10/233349510.db2.gz OENBSEYILWWOAM-KGLIPLIRSA-N 2 0 280.362 2.786 20 0 CFADRP Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414782261 233349557 /nfs/dbraw/zinc/34/95/57/233349557.db2.gz OENBSEYILWWOAM-UONOGXRCSA-N 2 0 280.362 2.786 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414779924 233349860 /nfs/dbraw/zinc/34/98/60/233349860.db2.gz KXKLXVBRLLSHHE-UONOGXRCSA-N 2 0 291.464 2.842 20 0 CFADRP Cc1cccn2c(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cnc12 ZINC000414807169 233360009 /nfs/dbraw/zinc/36/00/09/233360009.db2.gz IOKGTXROKFPFCE-AWEZNQCLSA-N 2 0 294.402 2.952 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414811468 233362196 /nfs/dbraw/zinc/36/21/96/233362196.db2.gz WLAKODFEVQQGLP-SWLSCSKDSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414812175 233362450 /nfs/dbraw/zinc/36/24/50/233362450.db2.gz XAXUZWSHEJUQJT-HOCLYGCPSA-N 2 0 284.407 2.684 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[C@H](C)[NH3+] ZINC000414818882 233364661 /nfs/dbraw/zinc/36/46/61/233364661.db2.gz GBJQDCFEVQVFSN-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414825105 233367034 /nfs/dbraw/zinc/36/70/34/233367034.db2.gz RXPYHUWFAQMJMF-UMVBOHGHSA-N 2 0 264.388 2.734 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH3+])c(Cl)c1 ZINC000414824768 233367110 /nfs/dbraw/zinc/36/71/10/233367110.db2.gz RHNWXAYMQQXILQ-NWDGAFQWSA-N 2 0 297.830 2.692 20 0 CFADRP Fc1ccc2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)sc2c1 ZINC000414826837 233368113 /nfs/dbraw/zinc/36/81/13/233368113.db2.gz GHTGNYJVTXDKHD-SNVBAGLBSA-N 2 0 279.384 2.525 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414831652 233370698 /nfs/dbraw/zinc/37/06/98/233370698.db2.gz DIASWRCBPGXWFG-MRXNPFEDSA-N 2 0 298.434 2.660 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000414849041 233377088 /nfs/dbraw/zinc/37/70/88/233377088.db2.gz HCBHBQLFUDOXMR-GXTWGEPZSA-N 2 0 250.361 2.612 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000105480454 186058836 /nfs/dbraw/zinc/05/88/36/186058836.db2.gz DMXOIABSOCMCGM-PBHICJAKSA-N 2 0 276.424 2.904 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414839196 233374072 /nfs/dbraw/zinc/37/40/72/233374072.db2.gz LXZRLOGKFLSTRT-PVAVHDDUSA-N 2 0 258.409 2.769 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414864436 233382994 /nfs/dbraw/zinc/38/29/94/233382994.db2.gz YOMPBXYCVDEGKT-GOEBONIOSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](C[NH2+]CCCNCc1cccnc1)c1ccccc1 ZINC000414870635 233385062 /nfs/dbraw/zinc/38/50/62/233385062.db2.gz CMTIBFOCSQDZAI-MRXNPFEDSA-N 2 0 283.419 2.955 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414882272 233388436 /nfs/dbraw/zinc/38/84/36/233388436.db2.gz TURBVWAKHUFLLN-BYCMXARLSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901065 233392655 /nfs/dbraw/zinc/39/26/55/233392655.db2.gz FOWHHNYKBLAGNY-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP FC(F)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414907096 233395314 /nfs/dbraw/zinc/39/53/14/233395314.db2.gz BMLWGRBKZIRTGB-CYBMUJFWSA-N 2 0 254.324 2.856 20 0 CFADRP c1cnc(Oc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000414912099 233397448 /nfs/dbraw/zinc/39/74/48/233397448.db2.gz XVAHUEQLIAEQRI-OAHLLOKOSA-N 2 0 298.390 2.501 20 0 CFADRP c1ccc(OCC2CC2)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414851281 233378281 /nfs/dbraw/zinc/37/82/81/233378281.db2.gz OFNLNRLTYALLNV-OAHLLOKOSA-N 2 0 288.435 2.955 20 0 CFADRP c1c2ccccc2oc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414855180 233379644 /nfs/dbraw/zinc/37/96/44/233379644.db2.gz VWJRSLHLCZZBEX-ZDUSSCGKSA-N 2 0 258.365 2.912 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414858344 233380676 /nfs/dbraw/zinc/38/06/76/233380676.db2.gz RLMVUHCSTRIVOC-WDEREUQCSA-N 2 0 252.324 2.697 20 0 CFADRP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414856193 233381050 /nfs/dbraw/zinc/38/10/50/233381050.db2.gz OAZIJDADBGWRGV-BHYGNILZSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCC[NH2+]C1 ZINC000414919543 233399762 /nfs/dbraw/zinc/39/97/62/233399762.db2.gz XJOTYBHJLYPRLV-GOSISDBHSA-N 2 0 288.435 2.955 20 0 CFADRP CSCc1cnc(CNC[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000598994488 350356424 /nfs/dbraw/zinc/35/64/24/350356424.db2.gz ORBZKDQMGPKEPV-LBPRGKRZSA-N 2 0 299.509 2.828 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599047331 350365275 /nfs/dbraw/zinc/36/52/75/350365275.db2.gz UCQKSUQGQCBMPS-QQFBHYJXSA-N 2 0 298.471 2.818 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415000238 233430281 /nfs/dbraw/zinc/43/02/81/233430281.db2.gz ANLSJYYMLLFOAW-LEYPSHCCSA-N 2 0 274.383 2.817 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000415002596 233431639 /nfs/dbraw/zinc/43/16/39/233431639.db2.gz VZQSWIOTMVYMEQ-UKRRQHHQSA-N 2 0 284.407 2.684 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000415039303 233444487 /nfs/dbraw/zinc/44/44/87/233444487.db2.gz NVSORMLBSXGARI-CMPLNLGQSA-N 2 0 288.313 2.802 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415040198 233444590 /nfs/dbraw/zinc/44/45/90/233444590.db2.gz OPZOGBRWWBMOFE-FZMZJTMJSA-N 2 0 252.789 2.865 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415075925 233457509 /nfs/dbraw/zinc/45/75/09/233457509.db2.gz FZIBZJMHLSYKDZ-OWCLPIDISA-N 2 0 276.424 2.740 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000415027184 233440885 /nfs/dbraw/zinc/44/08/85/233440885.db2.gz VTWXZGXGQZXJMI-IIDMSEBBSA-N 2 0 272.436 2.899 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000164513875 282693111 /nfs/dbraw/zinc/69/31/11/282693111.db2.gz ZCZCTCVQEXVYKG-OAGGEKHMSA-N 2 0 280.456 2.512 20 0 CFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600162576 350524907 /nfs/dbraw/zinc/52/49/07/350524907.db2.gz UTVGPWRAVSPMGI-KFWWJZLASA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000335909520 282713585 /nfs/dbraw/zinc/71/35/85/282713585.db2.gz QHTZFXJRMGFBCJ-HNNXBMFYSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)(C)C ZINC000668785428 539803591 /nfs/dbraw/zinc/80/35/91/539803591.db2.gz QBTGGIJIFMDHMQ-GJZGRUSLSA-N 2 0 270.461 2.711 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000110649669 186310152 /nfs/dbraw/zinc/31/01/52/186310152.db2.gz VIJXHVLRDBJHJH-LBPRGKRZSA-N 2 0 287.382 2.933 20 0 CFADRP Cc1ccc(C)c(OCC[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000110650487 186310770 /nfs/dbraw/zinc/31/07/70/186310770.db2.gz STHBQMIKPSUTSO-OAHLLOKOSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000110650137 186310025 /nfs/dbraw/zinc/31/00/25/186310025.db2.gz XROSQYFRJHBINX-ZDUSSCGKSA-N 2 0 285.391 2.901 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000309808764 539806218 /nfs/dbraw/zinc/80/62/18/539806218.db2.gz VSNWPFXVOPCINY-ZMSDIMECSA-N 2 0 290.451 2.646 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602736093 351008448 /nfs/dbraw/zinc/00/84/48/351008448.db2.gz WJYGBMYKTWCITA-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP c1ccc2cc(CC[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000603932763 351192921 /nfs/dbraw/zinc/19/29/21/351192921.db2.gz ALCNIOSMQDYHSZ-ROUUACIJSA-N 2 0 266.388 2.534 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000611366652 351675160 /nfs/dbraw/zinc/67/51/60/351675160.db2.gz FYUFSTXARFHLNP-GJZGRUSLSA-N 2 0 298.471 2.818 20 0 CFADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000121900244 187003576 /nfs/dbraw/zinc/00/35/76/187003576.db2.gz ROMBBLSYJLKEEM-NVXWUHKLSA-N 2 0 290.451 2.790 20 0 CFADRP Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000668817798 539824877 /nfs/dbraw/zinc/82/48/77/539824877.db2.gz AATPGJSBVMKSHP-MRXNPFEDSA-N 2 0 274.408 2.604 20 0 CFADRP CCc1ncc(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000122171558 187019066 /nfs/dbraw/zinc/01/90/66/187019066.db2.gz JAQINOVVXXDFCO-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP FC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250832323 303113577 /nfs/dbraw/zinc/11/35/77/303113577.db2.gz JOVYDYVKBNDJIW-QJPTWQEYSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(Br)cc1)C[NH+](C)C ZINC000291772557 198087189 /nfs/dbraw/zinc/08/71/89/198087189.db2.gz SZTOWUVCIKJSNJ-NSHDSACASA-N 2 0 285.229 2.736 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCOCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123002617 187065358 /nfs/dbraw/zinc/06/53/58/187065358.db2.gz MHSRBKRUDZSAMK-FPCVCCKLSA-N 2 0 268.445 2.749 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCc2ccncc2)CC1 ZINC000123400294 187089238 /nfs/dbraw/zinc/08/92/38/187089238.db2.gz QKJHOMNBOBKQOA-UHFFFAOYSA-N 2 0 275.440 2.678 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000123573078 187099486 /nfs/dbraw/zinc/09/94/86/187099486.db2.gz YELOFSTWJOCGKU-CYBMUJFWSA-N 2 0 258.365 2.912 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123645350 187102410 /nfs/dbraw/zinc/10/24/10/187102410.db2.gz DHQJVGXUOULVAD-VKJFTORMSA-N 3 0 289.467 2.567 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000123978432 187116868 /nfs/dbraw/zinc/11/68/68/187116868.db2.gz HWAWKNSEDLPTMJ-DOMZBBRYSA-N 2 0 260.381 2.731 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCn2ccnc2C)c(C)s1 ZINC000310649542 539828913 /nfs/dbraw/zinc/82/89/13/539828913.db2.gz WYWYHHAYYYWKFK-VIFPVBQESA-N 2 0 264.398 2.616 20 0 CFADRP CC(C)C1CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000310665593 539829244 /nfs/dbraw/zinc/82/92/44/539829244.db2.gz FYRNDDGQCNMNCH-STONLHKKSA-N 2 0 250.430 2.600 20 0 CFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438853 290340035 /nfs/dbraw/zinc/34/00/35/290340035.db2.gz NOOPNWSAQOLIRL-SPWCGHHHSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000093503374 539902217 /nfs/dbraw/zinc/90/22/17/539902217.db2.gz BJJVQKGOVRHURE-GJZGRUSLSA-N 2 0 276.424 2.715 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292128140 198174558 /nfs/dbraw/zinc/17/45/58/198174558.db2.gz KZEFPMFUBHVITN-SFHVURJKSA-N 2 0 297.402 2.869 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292148056 198181573 /nfs/dbraw/zinc/18/15/73/198181573.db2.gz NFWFKQZOZCGRIO-QGZVFWFLSA-N 2 0 258.409 2.777 20 0 CFADRP CS[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1[NH+](C)C ZINC000271653325 191260605 /nfs/dbraw/zinc/26/06/05/191260605.db2.gz SLJJNSQRAHVGQI-JKSUJKDBSA-N 2 0 287.432 2.717 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000336848053 295852502 /nfs/dbraw/zinc/85/25/02/295852502.db2.gz HDYXMNAMPWRYBV-FUHWJXTLSA-N 2 0 289.467 2.931 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292264803 198222654 /nfs/dbraw/zinc/22/26/54/198222654.db2.gz YYQCVHXBFIXPJN-SFHVURJKSA-N 2 0 272.436 2.819 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000422769438 295855147 /nfs/dbraw/zinc/85/51/47/295855147.db2.gz UVCBFTZUYQCQHV-WMLDXEAASA-N 2 0 269.392 2.888 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000423037384 295855168 /nfs/dbraw/zinc/85/51/68/295855168.db2.gz BHXGMQAQJNMFIE-SMDDNHRTSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422751937 295854829 /nfs/dbraw/zinc/85/48/29/295854829.db2.gz DHRYGYHNBIRJME-WFASDCNBSA-N 2 0 283.847 2.660 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1sccc1C ZINC000153755338 188101994 /nfs/dbraw/zinc/10/19/94/188101994.db2.gz PUKOKNUVVWFHRP-CYBMUJFWSA-N 2 0 270.442 2.675 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000154298498 188133931 /nfs/dbraw/zinc/13/39/31/188133931.db2.gz SFBANTGVBZQINT-KRWDZBQOSA-N 2 0 289.467 2.673 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000154557051 188149656 /nfs/dbraw/zinc/14/96/56/188149656.db2.gz HIQONKQDXGLHCH-IIAWOOMASA-N 2 0 276.424 2.556 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000453069483 539984242 /nfs/dbraw/zinc/98/42/42/539984242.db2.gz BTVSOWAVWPKRIZ-HOTGVXAUSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000155086411 188181560 /nfs/dbraw/zinc/18/15/60/188181560.db2.gz COYBABKXUQKGJJ-KGLIPLIRSA-N 2 0 295.858 2.627 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000234331273 539987437 /nfs/dbraw/zinc/98/74/37/539987437.db2.gz PAVBKHNTHZFYGA-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000156139309 188244837 /nfs/dbraw/zinc/24/48/37/188244837.db2.gz JEHFMDFAFOOKLN-KBPBESRZSA-N 2 0 286.423 2.568 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1 ZINC000234825705 539994175 /nfs/dbraw/zinc/99/41/75/539994175.db2.gz HNVKVWCJIHQPKK-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP Clc1cncc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000621262364 353310475 /nfs/dbraw/zinc/31/04/75/353310475.db2.gz ZGEZVUCSYRCMFU-UHFFFAOYSA-N 2 0 276.771 2.838 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3cncc(Cl)c3)CC[C@@H]21 ZINC000621263303 353310933 /nfs/dbraw/zinc/31/09/33/353310933.db2.gz LSFQRXKNPBJDJR-ZFWWWQNUSA-N 2 0 279.815 2.651 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cncc(Cl)c3)CC[C@@H]21 ZINC000621263301 353311114 /nfs/dbraw/zinc/31/11/14/353311114.db2.gz LSFQRXKNPBJDJR-HIFRSBDPSA-N 2 0 279.815 2.651 20 0 CFADRP CN(Cc1cncc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000621294969 353317797 /nfs/dbraw/zinc/31/77/97/353317797.db2.gz UCUPUSZOSUQYAO-YIONKMFJSA-N 2 0 279.815 2.792 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[NH+](C)C ZINC000157477315 188319834 /nfs/dbraw/zinc/31/98/34/188319834.db2.gz HPPCOKKRQRRWFL-ZDUSSCGKSA-N 2 0 252.377 2.688 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000157580578 188325887 /nfs/dbraw/zinc/32/58/87/188325887.db2.gz MMPUHAHWODFWEK-RKVPGOIHSA-N 2 0 298.434 2.691 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000621775506 353422790 /nfs/dbraw/zinc/42/27/90/353422790.db2.gz QLZWUFVPLDNOSI-LSDHHAIUSA-N 2 0 293.842 2.947 20 0 CFADRP CC1CC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000621738569 353415496 /nfs/dbraw/zinc/41/54/96/353415496.db2.gz KJGAIWVXWUJVIM-UHFFFAOYSA-N 2 0 259.397 2.686 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000414900867 282912014 /nfs/dbraw/zinc/91/20/14/282912014.db2.gz FDSFFOFDXXNYAD-UTUOFQBUSA-N 2 0 264.335 2.839 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000623356241 353622851 /nfs/dbraw/zinc/62/28/51/353622851.db2.gz FPVMUYRWVJBZAU-ZDUSSCGKSA-N 2 0 294.826 2.923 20 0 CFADRP C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000623357330 353623716 /nfs/dbraw/zinc/62/37/16/353623716.db2.gz JGCMHWSIOHTYIF-PMPSAXMXSA-N 2 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC1(C)C ZINC000623386727 353632368 /nfs/dbraw/zinc/63/23/68/353632368.db2.gz AEXZTFWEKIKSJT-HNNXBMFYSA-N 2 0 282.378 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2)CC1(C)C ZINC000623428734 353642617 /nfs/dbraw/zinc/64/26/17/353642617.db2.gz YCHMCEAJRWJOKU-JKSUJKDBSA-N 2 0 276.424 2.573 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623470423 353651642 /nfs/dbraw/zinc/65/16/42/353651642.db2.gz KRQMBPXDUPOFLC-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CN(CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623338326 353617843 /nfs/dbraw/zinc/61/78/43/353617843.db2.gz VJWABZJGUAZGRE-INIZCTEOSA-N 2 0 289.467 2.975 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623338947 353618374 /nfs/dbraw/zinc/61/83/74/353618374.db2.gz CADTXJYNYRIOKX-MRXNPFEDSA-N 2 0 260.425 3.000 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC1(C)C ZINC000623503307 353658773 /nfs/dbraw/zinc/65/87/73/353658773.db2.gz UJQAARRYTJYYSI-PBHICJAKSA-N 2 0 282.472 2.780 20 0 CFADRP CCOC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623504852 353659576 /nfs/dbraw/zinc/65/95/76/353659576.db2.gz BLRXFHYUCGQWCC-ZIAGYGMSSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC1(C)C ZINC000623513512 353661204 /nfs/dbraw/zinc/66/12/04/353661204.db2.gz CDMCHRZPDJEHAC-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2COc3ccc(F)cc3C2)CC1(C)C ZINC000623526640 353663890 /nfs/dbraw/zinc/66/38/90/353663890.db2.gz LDNCBQYBXMQVFZ-HUUCEWRRSA-N 2 0 292.398 2.592 20 0 CFADRP c1[nH]nc2cccc(C[NH2+]CCCCC[NH+]3CCCC3)c12 ZINC000623533482 353666243 /nfs/dbraw/zinc/66/62/43/353666243.db2.gz BUARRAVTAABQDT-UHFFFAOYSA-N 2 0 286.423 2.919 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623570728 353674178 /nfs/dbraw/zinc/67/41/78/353674178.db2.gz BYOAUQPFVNDHTR-HOTGVXAUSA-N 2 0 281.488 2.569 20 0 CFADRP c1[nH]nc2cccc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c12 ZINC000623574963 353675948 /nfs/dbraw/zinc/67/59/48/353675948.db2.gz CTMBCHVYZLCXBJ-UHFFFAOYSA-N 2 0 298.434 2.775 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657803 353698998 /nfs/dbraw/zinc/69/89/98/353698998.db2.gz ZLSURLXXABAOHJ-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000623834396 353735267 /nfs/dbraw/zinc/73/52/67/353735267.db2.gz XESKFJFWZXGIOQ-ABAIWWIYSA-N 2 0 291.826 2.904 20 0 CFADRP Cc1csc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000623957914 353768923 /nfs/dbraw/zinc/76/89/23/353768923.db2.gz YUZPDWFIMQMLBB-LBPRGKRZSA-N 2 0 267.442 2.834 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000623970120 353772210 /nfs/dbraw/zinc/77/22/10/353772210.db2.gz FAWVDDRWQPWITN-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000271714255 191286573 /nfs/dbraw/zinc/28/65/73/191286573.db2.gz VNTPYUJIFVGNON-HIFRSBDPSA-N 2 0 262.397 2.830 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000623857645 353741548 /nfs/dbraw/zinc/74/15/48/353741548.db2.gz SSRSOACOJDZKCT-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623857647 353741765 /nfs/dbraw/zinc/74/17/65/353741765.db2.gz SSRSOACOJDZKCT-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624077798 353799562 /nfs/dbraw/zinc/79/95/62/353799562.db2.gz CENITWGNPLBGRO-GOEBONIOSA-N 2 0 268.445 2.534 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120308 353810399 /nfs/dbraw/zinc/81/03/99/353810399.db2.gz WALUHGUBGAUCIF-HZPDHXFCSA-N 2 0 290.451 2.948 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCOCC1 ZINC000624121574 353810501 /nfs/dbraw/zinc/81/05/01/353810501.db2.gz YDITUPVXNJXYRP-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCOCC1 ZINC000624121573 353810700 /nfs/dbraw/zinc/81/07/00/353810700.db2.gz YDITUPVXNJXYRP-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000624120176 353810736 /nfs/dbraw/zinc/81/07/36/353810736.db2.gz SYXMYAHSXDHLAC-UONOGXRCSA-N 2 0 290.407 2.798 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122598 353811878 /nfs/dbraw/zinc/81/18/78/353811878.db2.gz WNZZDOQQBZUJIV-GJZGRUSLSA-N 2 0 261.413 2.773 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000624123369 353812645 /nfs/dbraw/zinc/81/26/45/353812645.db2.gz KTOLNNORRZULHU-HUUCEWRRSA-N 2 0 297.446 2.957 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCSCC1 ZINC000624124178 353813003 /nfs/dbraw/zinc/81/30/03/353813003.db2.gz ZHJOLJBGRTUPNQ-KGLIPLIRSA-N 2 0 270.486 2.840 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCCC[N@H+](C)C3)C[C@H]2C1 ZINC000624123551 353813268 /nfs/dbraw/zinc/81/32/68/353813268.db2.gz NYGHVRNEKRSWFJ-NRKLIOEPSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)(C)C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1 ZINC000624229207 353841862 /nfs/dbraw/zinc/84/18/62/353841862.db2.gz PNFWWOZPBZGLSX-SJORKVTESA-N 2 0 290.451 2.820 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn[nH]c3)cc2)C1 ZINC000624213995 353836986 /nfs/dbraw/zinc/83/69/86/353836986.db2.gz MNKSMRYCKMVLFJ-OAHLLOKOSA-N 2 0 298.434 2.931 20 0 CFADRP CCC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OCC ZINC000624048182 353792933 /nfs/dbraw/zinc/79/29/33/353792933.db2.gz FEPDPJCMVZOVQZ-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NCc2c(F)cccc2OC(F)F)C1 ZINC000566482381 290393147 /nfs/dbraw/zinc/39/31/47/290393147.db2.gz NGGIUXQPLVOUBE-ZJUUUORDSA-N 2 0 288.313 2.787 20 0 CFADRP CCO[C@@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000625192841 353992596 /nfs/dbraw/zinc/99/25/96/353992596.db2.gz YOKGPVRMEAQXOR-HOTGVXAUSA-N 2 0 268.445 2.608 20 0 CFADRP c1nc2c([nH]1)C[N@H+](C[C@@H]1CCc3ccccc3C1)CC2 ZINC000625437676 354046154 /nfs/dbraw/zinc/04/61/54/354046154.db2.gz STRFXZVQYJYDKB-CYBMUJFWSA-N 2 0 267.376 2.573 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000625453513 354051348 /nfs/dbraw/zinc/05/13/48/354051348.db2.gz NVPICZPYAMXOHY-HOCLYGCPSA-N 2 0 258.409 2.897 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250956 282994718 /nfs/dbraw/zinc/99/47/18/282994718.db2.gz RHKKUJNMYOYDHV-LRDDRELGSA-N 2 0 262.372 2.792 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(C)ncn1 ZINC000626064013 354184225 /nfs/dbraw/zinc/18/42/25/354184225.db2.gz YXJPUBOTKQZARX-UHFFFAOYSA-N 2 0 298.434 2.869 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCS2 ZINC000335056178 283005409 /nfs/dbraw/zinc/00/54/09/283005409.db2.gz CPEFJZYERVDPLO-CQSZACIVSA-N 2 0 278.396 2.872 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@]1(C)CCCS1 ZINC000628140145 354444412 /nfs/dbraw/zinc/44/44/12/354444412.db2.gz BGHBOTXSTLBFAV-UONOGXRCSA-N 2 0 256.459 2.546 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000628186267 354466696 /nfs/dbraw/zinc/46/66/96/354466696.db2.gz DMYPNRXEAKNHHY-JKSUJKDBSA-N 2 0 282.497 2.936 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628202537 354475664 /nfs/dbraw/zinc/47/56/64/354475664.db2.gz YFKRJGBIHWMOKL-MRXNPFEDSA-N 2 0 278.440 2.656 20 0 CFADRP c1ccc2nc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cnc2c1 ZINC000628253650 354505066 /nfs/dbraw/zinc/50/50/66/354505066.db2.gz QYLIXDZNSZKAQF-UHFFFAOYSA-N 2 0 296.418 2.594 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628292703 354524203 /nfs/dbraw/zinc/52/42/03/354524203.db2.gz QDODEZXKPCQGBG-QGZVFWFLSA-N 2 0 269.392 2.696 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000628351884 354561823 /nfs/dbraw/zinc/56/18/23/354561823.db2.gz RBORDLDDBMXKSZ-SOLBZPMBSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@@]1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCCS1 ZINC000628352625 354561965 /nfs/dbraw/zinc/56/19/65/354561965.db2.gz OQGGZQLVNCEVKD-INIZCTEOSA-N 2 0 282.497 2.984 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000629530164 354832946 /nfs/dbraw/zinc/83/29/46/354832946.db2.gz XCUCAEGYIACZSB-KRWDZBQOSA-N 2 0 294.414 2.883 20 0 CFADRP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387718 354799040 /nfs/dbraw/zinc/79/90/40/354799040.db2.gz JKYVMGWOIBAVFA-KGLIPLIRSA-N 2 0 256.434 2.545 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000629392968 354801267 /nfs/dbraw/zinc/80/12/67/354801267.db2.gz WYARGCWQYNZVHL-IAGOWNOFSA-N 2 0 276.424 2.538 20 0 CFADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629400219 354802954 /nfs/dbraw/zinc/80/29/54/354802954.db2.gz QPQIRILTOMLZPN-HUUCEWRRSA-N 2 0 256.434 2.546 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000629402836 354804088 /nfs/dbraw/zinc/80/40/88/354804088.db2.gz FVNHFQVEBNEACD-MSOLQXFVSA-N 2 0 290.451 2.929 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000629529264 354833192 /nfs/dbraw/zinc/83/31/92/354833192.db2.gz WWDYBLMFLQSDPJ-SNVBAGLBSA-N 2 0 291.222 2.880 20 0 CFADRP Cc1ncsc1C[N@H+](CCC(C)C)C[C@H]1CC[NH2+]C1 ZINC000339416015 540035873 /nfs/dbraw/zinc/03/58/73/540035873.db2.gz YLUHDWMHUNIXDB-AWEZNQCLSA-N 2 0 281.469 2.909 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000629530795 354833662 /nfs/dbraw/zinc/83/36/62/354833662.db2.gz ROLVRGDDKHLAOY-KRWDZBQOSA-N 2 0 276.424 2.662 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000629531431 354833681 /nfs/dbraw/zinc/83/36/81/354833681.db2.gz KWAHGWQRYSSDPN-ZBFHGGJFSA-N 2 0 296.842 2.802 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000629530414 354833785 /nfs/dbraw/zinc/83/37/85/354833785.db2.gz GLSNFCIYVNYXJE-WCQYABFASA-N 2 0 268.426 2.512 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cc2c1 ZINC000629530955 354833967 /nfs/dbraw/zinc/83/39/67/354833967.db2.gz VZQUAEVAKHORGD-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C1CCC1)C1CCC1 ZINC000629510943 354823911 /nfs/dbraw/zinc/82/39/11/354823911.db2.gz YFQOGMZWPLKBAK-OAHLLOKOSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629514394 354824697 /nfs/dbraw/zinc/82/46/97/354824697.db2.gz YMRPAWFTECSLRU-JTQLQIEISA-N 2 0 268.788 2.605 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCc2ccccc2CC1 ZINC000629514722 354824763 /nfs/dbraw/zinc/82/47/63/354824763.db2.gz NYBKDCMNZXGRQY-GOSISDBHSA-N 2 0 290.451 2.525 20 0 CFADRP CCC[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OCC ZINC000629516143 354825795 /nfs/dbraw/zinc/82/57/95/354825795.db2.gz XTAJIXCAPJNFME-SWLSCSKDSA-N 2 0 279.428 2.705 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629517356 354825866 /nfs/dbraw/zinc/82/58/66/354825866.db2.gz MWCLWNQXFBHZOR-WDEREUQCSA-N 2 0 264.335 2.982 20 0 CFADRP CC1(C)CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629519730 354826619 /nfs/dbraw/zinc/82/66/19/354826619.db2.gz HBFLIFQGXKUQAS-MRXNPFEDSA-N 2 0 288.435 2.897 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000629518876 354826650 /nfs/dbraw/zinc/82/66/50/354826650.db2.gz CFUMZNKJONPBPK-CHWSQXEVSA-N 2 0 296.842 2.930 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000629519676 354826708 /nfs/dbraw/zinc/82/67/08/354826708.db2.gz GYSDUNZRGZGVEM-UKRRQHHQSA-N 2 0 269.392 2.712 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629519117 354826800 /nfs/dbraw/zinc/82/68/00/354826800.db2.gz DHVGVKZYKODYOE-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000629521930 354827795 /nfs/dbraw/zinc/82/77/95/354827795.db2.gz YOUCNVPUIPPHAH-JSGCOSHPSA-N 2 0 261.413 2.683 20 0 CFADRP CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC)cc1 ZINC000629520277 354827926 /nfs/dbraw/zinc/82/79/26/354827926.db2.gz FFMSBZIUNRQJFG-MRXNPFEDSA-N 2 0 292.423 2.634 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522365 354828900 /nfs/dbraw/zinc/82/89/00/354828900.db2.gz YEBDWQMHVOLIKM-CZUORRHYSA-N 2 0 274.408 2.723 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc2c(s1)CCCC2 ZINC000629524787 354829444 /nfs/dbraw/zinc/82/94/44/354829444.db2.gz PNXXVIHZXSUDLB-LBPRGKRZSA-N 2 0 294.464 2.785 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629524467 354829780 /nfs/dbraw/zinc/82/97/80/354829780.db2.gz MMTYJQQHZKQYKU-DZGCQCFKSA-N 2 0 274.408 2.641 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000629532016 354834192 /nfs/dbraw/zinc/83/41/92/354834192.db2.gz IMLCMHURQRCWJO-GVDBMIGSSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000629528697 354832140 /nfs/dbraw/zinc/83/21/40/354832140.db2.gz GZTJQQZVYIMBIP-SNVBAGLBSA-N 2 0 291.222 2.880 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000629528746 354832218 /nfs/dbraw/zinc/83/22/18/354832218.db2.gz IIJSIWZCARFEFN-AWEZNQCLSA-N 2 0 288.391 2.833 20 0 CFADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529678 354832549 /nfs/dbraw/zinc/83/25/49/354832549.db2.gz KMRCGJBNSGPZRN-ZDUSSCGKSA-N 2 0 290.407 2.882 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000629536883 354835824 /nfs/dbraw/zinc/83/58/24/354835824.db2.gz JHZCVOCCTOCBBJ-HRCADAONSA-N 2 0 280.456 2.641 20 0 CFADRP CC(C)[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(F)c1 ZINC000629539923 354838860 /nfs/dbraw/zinc/83/88/60/354838860.db2.gz SAWKFWAPFRQMDU-HNNXBMFYSA-N 2 0 286.366 2.617 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541969 354839785 /nfs/dbraw/zinc/83/97/85/354839785.db2.gz VMNFQSJESSPPRE-NSHDSACASA-N 2 0 285.457 2.591 20 0 CFADRP Cc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000629544479 354841363 /nfs/dbraw/zinc/84/13/63/354841363.db2.gz ITLAIGDEGFMLSF-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629547522 354842768 /nfs/dbraw/zinc/84/27/68/354842768.db2.gz UHWUGSFKHLATKY-JTQLQIEISA-N 2 0 296.358 2.610 20 0 CFADRP Cc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000629546927 354842920 /nfs/dbraw/zinc/84/29/20/354842920.db2.gz RBLRHTOBNBVADN-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548375 354843463 /nfs/dbraw/zinc/84/34/63/354843463.db2.gz FFXUPPRYQAVHCC-UWVGGRQHSA-N 2 0 252.324 2.825 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C(C)C)cc1 ZINC000629547886 354843489 /nfs/dbraw/zinc/84/34/89/354843489.db2.gz LLYSCTLCDKWVLD-UAGQMJEPSA-N 2 0 260.425 2.902 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548294 354843749 /nfs/dbraw/zinc/84/37/49/354843749.db2.gz DSIARGCETMHXBX-ZJUUUORDSA-N 2 0 250.308 2.579 20 0 CFADRP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000629547793 354843856 /nfs/dbraw/zinc/84/38/56/354843856.db2.gz FZPRQSJDBGVGGY-UPJWGTAASA-N 2 0 258.356 2.638 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548378 354843908 /nfs/dbraw/zinc/84/39/08/354843908.db2.gz FFXUPPRYQAVHCC-VHSXEESVSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629549310 354844668 /nfs/dbraw/zinc/84/46/68/354844668.db2.gz GYMNVHVVBMWDOU-SFYZADRCSA-N 2 0 266.332 2.982 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000629654454 354878412 /nfs/dbraw/zinc/87/84/12/354878412.db2.gz RBNPRDFSJVMGRI-ZWKOTPCHSA-N 2 0 290.451 2.665 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629549570 354844993 /nfs/dbraw/zinc/84/49/93/354844993.db2.gz SGDOMKBIPSKKKX-OAGGEKHMSA-N 2 0 280.456 2.783 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629551755 354845811 /nfs/dbraw/zinc/84/58/11/354845811.db2.gz XBPJKRFNRFDKJD-DLBZAZTESA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]Cc1cccc2c1N(CCCC1CC[NH2+]CC1)CCC2 ZINC000629561446 354848175 /nfs/dbraw/zinc/84/81/75/354848175.db2.gz WFMUQJQGUROEDE-UHFFFAOYSA-N 2 0 287.451 2.678 20 0 CFADRP CC(C)=CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565157 354848721 /nfs/dbraw/zinc/84/87/21/354848721.db2.gz VPECXWPBSXVRPD-NWDGAFQWSA-N 2 0 264.335 2.802 20 0 CFADRP CCOCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629573457 354849117 /nfs/dbraw/zinc/84/91/17/354849117.db2.gz CXTKAIJFGLXWEY-QAPCUYQASA-N 2 0 288.435 2.622 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000629570550 354849438 /nfs/dbraw/zinc/84/94/38/354849438.db2.gz DFJSVOSTCSGELR-LBPRGKRZSA-N 2 0 270.804 2.569 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC1CCCCC1)C2 ZINC000629585502 354851095 /nfs/dbraw/zinc/85/10/95/354851095.db2.gz VXEFYFBHNHYUIP-IYBDPMFKSA-N 2 0 250.430 2.888 20 0 CFADRP CCc1ccc(CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585140 354851371 /nfs/dbraw/zinc/85/13/71/354851371.db2.gz LHVBGQIUZDEJOO-HDICACEKSA-N 2 0 272.436 2.723 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000629584719 354851609 /nfs/dbraw/zinc/85/16/09/354851609.db2.gz DQYVVBKGVRBHLP-ZACQAIPSSA-N 2 0 274.383 2.744 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCCOc1ccccc1)C2 ZINC000629598167 354856717 /nfs/dbraw/zinc/85/67/17/354856717.db2.gz XAGXXVFNGYXDQE-HDICACEKSA-N 2 0 288.435 2.777 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc3cnccc31)C2 ZINC000629667229 354883967 /nfs/dbraw/zinc/88/39/67/354883967.db2.gz TVEWKYKTBADQHS-HDICACEKSA-N 2 0 281.403 2.666 20 0 CFADRP C[N@H+](Cc1cccc(-c2ccc([C@@H]([NH3+])CO)cc2)c1)C1CC1 ZINC000629709331 354904227 /nfs/dbraw/zinc/90/42/27/354904227.db2.gz YNRBDPKPDCKAQE-IBGZPJMESA-N 2 0 296.414 2.940 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000679484347 540064646 /nfs/dbraw/zinc/06/46/46/540064646.db2.gz NILXTYPXOJJVBL-UHFFFAOYSA-N 2 0 293.480 2.843 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000333244910 540071586 /nfs/dbraw/zinc/07/15/86/540071586.db2.gz FOFVFAVCKKWPNC-PMPSAXMXSA-N 2 0 259.397 2.782 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000136529267 540118347 /nfs/dbraw/zinc/11/83/47/540118347.db2.gz KWLVYPOWASYYEH-JOYOIKCWSA-N 2 0 255.431 2.784 20 0 CFADRP COCc1csc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000667667215 540112426 /nfs/dbraw/zinc/11/24/26/540112426.db2.gz HSNFBJCZNNJMIB-OCCSQVGLSA-N 2 0 282.453 2.809 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000287671240 540120811 /nfs/dbraw/zinc/12/08/11/540120811.db2.gz VUNYJBOKHOYPRO-JCGIZDLHSA-N 2 0 290.451 2.602 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271819450 191345689 /nfs/dbraw/zinc/34/56/89/191345689.db2.gz MRFPPPQGQKNQSY-UHFFFAOYSA-N 2 0 296.418 2.737 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271824496 191350326 /nfs/dbraw/zinc/35/03/26/191350326.db2.gz DFDRVCGJZRYTSX-UHFFFAOYSA-N 2 0 296.361 2.948 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000631042044 355260651 /nfs/dbraw/zinc/26/06/51/355260651.db2.gz FVRDNQOVMUNNII-OKILXGFUSA-N 2 0 279.428 2.831 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)on1 ZINC000631042046 355261455 /nfs/dbraw/zinc/26/14/55/355261455.db2.gz FVRDNQOVMUNNII-ZIAGYGMSSA-N 2 0 279.428 2.831 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271893701 191395110 /nfs/dbraw/zinc/39/51/10/191395110.db2.gz SRZWDVCTZKJAOA-GFCCVEGCSA-N 2 0 250.411 2.969 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293692746 540130713 /nfs/dbraw/zinc/13/07/13/540130713.db2.gz WLQOANRKKFWGGH-UHFFFAOYSA-N 2 0 288.435 2.500 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271864659 191375101 /nfs/dbraw/zinc/37/51/01/191375101.db2.gz LBCVDONKKXNXBI-CQSZACIVSA-N 2 0 276.399 2.998 20 0 CFADRP Cc1ccc(CNCc2cnc3n2CCCC3)c(F)c1 ZINC000631131244 355307148 /nfs/dbraw/zinc/30/71/48/355307148.db2.gz UVYAZYKMXBVDJW-UHFFFAOYSA-N 2 0 273.355 2.957 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1csc(C)c1C ZINC000631087572 355285439 /nfs/dbraw/zinc/28/54/39/355285439.db2.gz YUGXHWRMBNSAQG-OAHLLOKOSA-N 2 0 284.469 2.811 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000669417495 540144146 /nfs/dbraw/zinc/14/41/46/540144146.db2.gz PDJDFDVYIBSTIB-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCC12CC2 ZINC000631190729 355340722 /nfs/dbraw/zinc/34/07/22/355340722.db2.gz BCZDADUVEIXAEB-INIZCTEOSA-N 2 0 282.391 2.998 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195890 355343332 /nfs/dbraw/zinc/34/33/32/355343332.db2.gz LHHSUHJOWLXJJP-KDOFPFPSSA-N 2 0 298.434 2.576 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195892 355343461 /nfs/dbraw/zinc/34/34/61/355343461.db2.gz LHHSUHJOWLXJJP-RDTXWAMCSA-N 2 0 298.434 2.576 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(F)CC1 ZINC000631196809 355343781 /nfs/dbraw/zinc/34/37/81/355343781.db2.gz VKKJPRWFUFXXRK-GOEBONIOSA-N 2 0 276.399 2.846 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000631568330 355491463 /nfs/dbraw/zinc/49/14/63/355491463.db2.gz ALZHCGYBSYEUEQ-KSZLIROESA-N 2 0 286.419 2.899 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000631570017 355491981 /nfs/dbraw/zinc/49/19/81/355491981.db2.gz PNZPQHLEYMTTRF-CKEIUWERSA-N 2 0 271.408 2.675 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631570668 355492879 /nfs/dbraw/zinc/49/28/79/355492879.db2.gz WRKDTCGUYYAOJK-ROUUACIJSA-N 2 0 292.467 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631564279 355489565 /nfs/dbraw/zinc/48/95/65/355489565.db2.gz HVFVKJBRENLJDV-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631665306 355538243 /nfs/dbraw/zinc/53/82/43/355538243.db2.gz VFZLLCPZKJJPMS-BPQIPLTHSA-N 2 0 290.451 2.769 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000631632083 355522940 /nfs/dbraw/zinc/52/29/40/355522940.db2.gz LFLHXUKQQZRRND-KRWWSPQJSA-N 2 0 286.419 2.897 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000631811004 355593384 /nfs/dbraw/zinc/59/33/84/355593384.db2.gz LDPHHHRJJALKSA-HPBDAGMYSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000631823164 355595267 /nfs/dbraw/zinc/59/52/67/355595267.db2.gz XSSUEAGKWFWENK-FUHWJXTLSA-N 2 0 287.451 2.971 20 0 CFADRP Fc1cccc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890650 355615730 /nfs/dbraw/zinc/61/57/30/355615730.db2.gz RAGSWHWGXOCNJI-WBVHZDCISA-N 2 0 276.399 2.832 20 0 CFADRP CCC[N@H+](Cc1c(C)cc(C)nc1C)C1CC[NH2+]CC1 ZINC000631823127 355595810 /nfs/dbraw/zinc/59/58/10/355595810.db2.gz WTSHDFJGHLYKDS-UHFFFAOYSA-N 2 0 275.440 2.971 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3c2CCOC3)C[C@H]1C[NH3+] ZINC000631828752 355597614 /nfs/dbraw/zinc/59/76/14/355597614.db2.gz XISVECFYPKAWAA-CKEIUWERSA-N 2 0 288.435 2.565 20 0 CFADRP FC1(F)CC[C@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000631826419 355597707 /nfs/dbraw/zinc/59/77/07/355597707.db2.gz MVSVGUOSJWLVGC-JSGCOSHPSA-N 2 0 272.383 2.743 20 0 CFADRP C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1C[NH3+] ZINC000631840190 355602764 /nfs/dbraw/zinc/60/27/64/355602764.db2.gz ADXUYCXNXCKIQY-NWDGAFQWSA-N 2 0 260.406 2.928 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CN1CCSc1cccc(Cl)c1 ZINC000631861866 355608164 /nfs/dbraw/zinc/60/81/64/355608164.db2.gz JDQGQXPWRPEFAE-ZYHUDNBSSA-N 2 0 270.829 2.854 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272403365 191701194 /nfs/dbraw/zinc/70/11/94/191701194.db2.gz ZOUYMPVZTDUZEZ-LHHMISFZSA-N 2 0 290.451 2.910 20 0 CFADRP Fc1cccc(O[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000631879003 355611413 /nfs/dbraw/zinc/61/14/13/355611413.db2.gz HQXHJSGRLGWYPQ-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000631743152 355573611 /nfs/dbraw/zinc/57/36/11/355573611.db2.gz NSOPYVDDLUDEMX-XKQJLSEDSA-N 2 0 280.456 2.654 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000229367254 540180270 /nfs/dbraw/zinc/18/02/70/540180270.db2.gz XSOFAUWGDPZQDB-DLBZAZTESA-N 2 0 292.467 2.942 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CCCCC1 ZINC000631890659 355616993 /nfs/dbraw/zinc/61/69/93/355616993.db2.gz RFUNRDJJWOWFTL-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]C[C@@H]1Cc2ccccc2N(CCC[NH+]2CCCCC2)C1 ZINC000631893840 355617570 /nfs/dbraw/zinc/61/75/70/355617570.db2.gz CHKBLCMMJYTFCL-INIZCTEOSA-N 2 0 287.451 2.500 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000353625050 283136055 /nfs/dbraw/zinc/13/60/55/283136055.db2.gz VIZIMKXJGGNOCW-GRYCIOLGSA-N 2 0 296.402 2.744 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000334845201 540253608 /nfs/dbraw/zinc/25/36/08/540253608.db2.gz JOGAJQQQVCRITB-OLZOCXBDSA-N 2 0 273.355 2.733 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]1C ZINC000423534266 297283676 /nfs/dbraw/zinc/28/36/76/297283676.db2.gz ZUAHVIZCCMHGNO-JDFGRUFXSA-N 2 0 262.441 2.774 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000567870987 290501515 /nfs/dbraw/zinc/50/15/15/290501515.db2.gz DCVUGIFPLNFCCC-HUUCEWRRSA-N 2 0 264.413 2.951 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568075239 290521968 /nfs/dbraw/zinc/52/19/68/290521968.db2.gz GWCUYLQENSHIEW-IBEHDNSVSA-N 2 0 268.445 2.843 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000435876105 283224991 /nfs/dbraw/zinc/22/49/91/283224991.db2.gz HFBCWZYOWZTKOP-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339071654 540282077 /nfs/dbraw/zinc/28/20/77/540282077.db2.gz STPIEGDZFIURRX-OKZBNKHCSA-N 2 0 293.499 2.857 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339075007 540282951 /nfs/dbraw/zinc/28/29/51/540282951.db2.gz OYAWCAXWCWWFAM-OWCLPIDISA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1CCCCC1 ZINC000234033727 540307073 /nfs/dbraw/zinc/30/70/73/540307073.db2.gz BOOGTQYOSLZBAL-CABCVRRESA-N 2 0 256.434 2.689 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000233774398 540300684 /nfs/dbraw/zinc/30/06/84/540300684.db2.gz AOLYMIDVPSJAKA-IAGOWNOFSA-N 2 0 288.435 2.626 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000294461078 199048375 /nfs/dbraw/zinc/04/83/75/199048375.db2.gz WGDOOCLSHGUQMR-BBRMVZONSA-N 2 0 292.423 2.712 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000235699059 540381362 /nfs/dbraw/zinc/38/13/62/540381362.db2.gz NLAHNUZXCNCAGY-SDDRHHMPSA-N 2 0 264.335 2.649 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(C)ccc2OC)CC[C@@H]1[NH3+] ZINC000147495942 540390541 /nfs/dbraw/zinc/39/05/41/540390541.db2.gz WAZTUVAYPOMDLP-ZFWWWQNUSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CCSCC1 ZINC000354658906 299278347 /nfs/dbraw/zinc/27/83/47/299278347.db2.gz DAUPVHHOIKSGIK-ZDUSSCGKSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000420365110 236628540 /nfs/dbraw/zinc/62/85/40/236628540.db2.gz DNQJBZZPCAIXCI-QMMMGPOBSA-N 2 0 295.185 2.758 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCC23CCOCC3)CCCCC1 ZINC000335007131 283406859 /nfs/dbraw/zinc/40/68/59/283406859.db2.gz FLIOUPIRVMMDJV-AWEZNQCLSA-N 2 0 266.429 2.587 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000093211540 540426475 /nfs/dbraw/zinc/42/64/75/540426475.db2.gz VVFGQMDNJQEIHS-DLOVCJGASA-N 2 0 254.324 2.885 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccsc1 ZINC000296510283 199915552 /nfs/dbraw/zinc/91/55/52/199915552.db2.gz QMHJIZXKJAUSJC-ZBFHGGJFSA-N 2 0 295.496 2.815 20 0 CFADRP Cc1csc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000093516436 540431951 /nfs/dbraw/zinc/43/19/51/540431951.db2.gz CQXALZNEUFOYBA-JSGCOSHPSA-N 2 0 281.469 2.894 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC000335018333 283427361 /nfs/dbraw/zinc/42/73/61/283427361.db2.gz FPGACTRZCWUDRJ-HGMXIMQMSA-N 2 0 278.371 2.756 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000678593743 540462829 /nfs/dbraw/zinc/46/28/29/540462829.db2.gz NCNIXSDBFNJHQQ-QGTPRVQTSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014411 540479139 /nfs/dbraw/zinc/47/91/39/540479139.db2.gz PWRCRXUWICOPAN-NWDGAFQWSA-N 2 0 252.789 2.942 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000152438742 540475047 /nfs/dbraw/zinc/47/50/47/540475047.db2.gz KCCICZJDUQVYSY-PXAZEXFGSA-N 2 0 274.383 2.887 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000309794930 540476623 /nfs/dbraw/zinc/47/66/23/540476623.db2.gz IMKDXBPFRFOXQE-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000161791268 540493800 /nfs/dbraw/zinc/49/38/00/540493800.db2.gz CKFJCMWWDVNYJN-UKRRQHHQSA-N 2 0 274.408 2.612 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561990 237107362 /nfs/dbraw/zinc/10/73/62/237107362.db2.gz OTTZBYDCPVILGT-IPYPFGDCSA-N 2 0 278.444 2.578 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccsc2)C[C@H]1C[NH3+] ZINC000422633585 237113929 /nfs/dbraw/zinc/11/39/29/237113929.db2.gz INADBYBVBONRJL-UMVBOHGHSA-N 2 0 266.454 2.986 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422735295 237146981 /nfs/dbraw/zinc/14/69/81/237146981.db2.gz VVSDDPNIRFAKFT-GFCCVEGCSA-N 2 0 291.222 2.837 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422736639 237147647 /nfs/dbraw/zinc/14/76/47/237147647.db2.gz YMJWZZXCOGLKQT-ROUUACIJSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735960 237148346 /nfs/dbraw/zinc/14/83/46/237148346.db2.gz FQEORINNARBTKR-TYNCELHUSA-N 2 0 250.361 2.659 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)ccc2n1 ZINC000097862696 540520078 /nfs/dbraw/zinc/52/00/78/540520078.db2.gz PHQOBYIYOIERMZ-XJKSGUPXSA-N 2 0 269.392 2.855 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422739339 237151748 /nfs/dbraw/zinc/15/17/48/237151748.db2.gz LCTNZGMUGBJIDN-WMZOPIPTSA-N 2 0 289.467 2.881 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422717564 237135761 /nfs/dbraw/zinc/13/57/61/237135761.db2.gz WDKFGPAUDLDPOF-USXIJHARSA-N 2 0 293.430 2.536 20 0 CFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422717431 237136486 /nfs/dbraw/zinc/13/64/86/237136486.db2.gz OMBPZVWAGOZUAM-KBPBESRZSA-N 2 0 260.425 2.940 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422726020 237138437 /nfs/dbraw/zinc/13/84/37/237138437.db2.gz YYQPPDKLPAASIJ-MSOLQXFVSA-N 2 0 290.451 2.743 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723188 237139050 /nfs/dbraw/zinc/13/90/50/237139050.db2.gz ZUUZUFJWHSKWJB-IRXDYDNUSA-N 3 0 281.488 2.620 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000422726803 237142018 /nfs/dbraw/zinc/14/20/18/237142018.db2.gz GAASVWKALGMPMQ-MSOLQXFVSA-N 2 0 294.398 2.898 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000422766611 237181915 /nfs/dbraw/zinc/18/19/15/237181915.db2.gz RZPUHPUYCQCPJO-GDBMZVCRSA-N 2 0 268.445 2.833 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000251540745 540538952 /nfs/dbraw/zinc/53/89/52/540538952.db2.gz ASMHSGWQEHCHAB-XJKCOSOUSA-N 2 0 262.397 2.815 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422775561 237190935 /nfs/dbraw/zinc/19/09/35/237190935.db2.gz BWCSLNOJTBIMQX-KTFSGNIMSA-N 2 0 258.409 2.971 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422748097 237163977 /nfs/dbraw/zinc/16/39/77/237163977.db2.gz RYMZXTFEXMNELJ-JLSDUUJJSA-N 2 0 287.451 2.681 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422752023 237166862 /nfs/dbraw/zinc/16/68/62/237166862.db2.gz CHUGOIWKYOCQHK-NEPJUHHUSA-N 2 0 252.377 2.819 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422753472 237168068 /nfs/dbraw/zinc/16/80/68/237168068.db2.gz IJFCJZGSBYHOHZ-JKSUJKDBSA-N 2 0 261.413 2.738 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422760223 237176564 /nfs/dbraw/zinc/17/65/64/237176564.db2.gz GNYJUBBBRMIJII-OLZOCXBDSA-N 2 0 270.829 2.902 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422796013 237218228 /nfs/dbraw/zinc/21/82/28/237218228.db2.gz XINHUKAAFRGDPQ-VYDXJSESSA-N 2 0 276.424 2.869 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Sc1ccccc1 ZINC000422783780 237205363 /nfs/dbraw/zinc/20/53/63/237205363.db2.gz HVZFBWPCAZLQOD-BNOWGMLFSA-N 2 0 250.411 2.637 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Cc1cccs1 ZINC000422784963 237206054 /nfs/dbraw/zinc/20/60/54/237206054.db2.gz QKBODUPOYMLPRH-GZBFAFLISA-N 2 0 266.454 2.904 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000422786837 237208073 /nfs/dbraw/zinc/20/80/73/237208073.db2.gz SZNRZERCFJBYFU-YOEHRIQHSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Cc1cccs1 ZINC000422791172 237211499 /nfs/dbraw/zinc/21/14/99/237211499.db2.gz YFVGBGVIRWWXNS-SGMGOOAPSA-N 2 0 252.427 2.644 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000422791141 237212208 /nfs/dbraw/zinc/21/22/08/237212208.db2.gz PXQYKHZFHWKHEN-JKSUJKDBSA-N 2 0 262.397 2.705 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422792896 237214702 /nfs/dbraw/zinc/21/47/02/237214702.db2.gz ZZPYTVJPRRLHNB-RRQGHBQHSA-N 2 0 290.451 2.826 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422817303 237246032 /nfs/dbraw/zinc/24/60/32/237246032.db2.gz CUOLJFIWLOSWBV-HUUCEWRRSA-N 2 0 268.351 2.757 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc21 ZINC000422818572 237247613 /nfs/dbraw/zinc/24/76/13/237247613.db2.gz KUANOUZGRAZPIE-IAGOWNOFSA-N 2 0 292.386 2.611 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422834465 237259075 /nfs/dbraw/zinc/25/90/75/237259075.db2.gz HLLJXUNBCZJAEC-YYWYGQEZSA-N 3 0 293.499 2.760 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422814344 237239439 /nfs/dbraw/zinc/23/94/39/237239439.db2.gz UKIKBBHBMQXVRD-KRWDZBQOSA-N 2 0 290.451 2.842 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422812688 237241326 /nfs/dbraw/zinc/24/13/26/237241326.db2.gz YFVFOZZGJQENIH-ZWKOTPCHSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000422853527 237277547 /nfs/dbraw/zinc/27/75/47/237277547.db2.gz ZAKOWLLOTMORLS-IMJJTQAJSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422862242 237281929 /nfs/dbraw/zinc/28/19/29/237281929.db2.gz PMHBZIAKKMMCLH-YJBOKZPZSA-N 2 0 298.434 2.522 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(Br)c1 ZINC000422867156 237286114 /nfs/dbraw/zinc/28/61/14/237286114.db2.gz RRCVWOXNHGZNKM-JGVFFNPUSA-N 2 0 277.231 2.726 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950944 540595801 /nfs/dbraw/zinc/59/58/01/540595801.db2.gz SCLXGOMCFFABLA-AWEZNQCLSA-N 2 0 262.422 2.640 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953735 540596353 /nfs/dbraw/zinc/59/63/53/540596353.db2.gz GOJXXAFZBPWTNQ-GDBMZVCRSA-N 2 0 258.409 2.739 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cc2s1 ZINC000666953743 540596365 /nfs/dbraw/zinc/59/63/65/540596365.db2.gz GPVXTLBZZDWPCE-HNNXBMFYSA-N 2 0 287.432 2.836 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954119 540597080 /nfs/dbraw/zinc/59/70/80/540597080.db2.gz QHBNHFWPGPQVDJ-CJNGLKHVSA-N 2 0 276.399 2.879 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000422872988 237291651 /nfs/dbraw/zinc/29/16/51/237291651.db2.gz JKOHPLAOMIEQAD-IAQYHMDHSA-N 2 0 279.453 2.785 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422838999 237266218 /nfs/dbraw/zinc/26/62/18/237266218.db2.gz PKXICYLUIBLJMR-LRDDRELGSA-N 2 0 289.398 2.827 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422842920 237268482 /nfs/dbraw/zinc/26/84/82/237268482.db2.gz ZOLZCVMDLQHMMV-QWRGUYRKSA-N 2 0 263.360 2.565 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422844604 237269168 /nfs/dbraw/zinc/26/91/68/237269168.db2.gz MIODWPUETXOVAT-BXUZGUMPSA-N 2 0 298.427 2.706 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CCC[NH2+]CC3)ccc2n1 ZINC000666857822 540587798 /nfs/dbraw/zinc/58/77/98/540587798.db2.gz KNRGUXIYMXGWNK-INIZCTEOSA-N 2 0 269.392 2.775 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858142 540587851 /nfs/dbraw/zinc/58/78/51/540587851.db2.gz ZOFVTBBTQRAGKF-SJORKVTESA-N 2 0 294.414 2.505 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993866 540603794 /nfs/dbraw/zinc/60/37/94/540603794.db2.gz PJPDZXTZYNOZJV-PMPSAXMXSA-N 2 0 279.472 2.562 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993863 540604007 /nfs/dbraw/zinc/60/40/07/540604007.db2.gz PJPDZXTZYNOZJV-BZUAXINKSA-N 2 0 279.472 2.562 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C)CC[C@@H]1[NH3+] ZINC000157094214 540604576 /nfs/dbraw/zinc/60/45/76/540604576.db2.gz ICGCPPSFABEFJX-DOMZBBRYSA-N 2 0 250.361 2.693 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000157686477 540613037 /nfs/dbraw/zinc/61/30/37/540613037.db2.gz IYECJADADLRPFH-HNNXBMFYSA-N 2 0 276.449 2.660 20 0 CFADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422911352 237336820 /nfs/dbraw/zinc/33/68/20/237336820.db2.gz KMTAILVLEASVEF-JQFCIGGWSA-N 2 0 258.409 2.738 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882083 237302746 /nfs/dbraw/zinc/30/27/46/237302746.db2.gz ACWYAJMWGFDVPJ-CJNGLKHVSA-N 2 0 271.408 2.818 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000422926338 237357135 /nfs/dbraw/zinc/35/71/35/237357135.db2.gz WMGRQBPCYBACBA-TUAOUCFPSA-N 2 0 270.804 2.823 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000422931673 237362261 /nfs/dbraw/zinc/36/22/61/237362261.db2.gz CJORDPKUCWOOLR-CQSZACIVSA-N 2 0 282.815 2.673 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931953 237362870 /nfs/dbraw/zinc/36/28/70/237362870.db2.gz DFPBICJIJBNZFT-GJZGRUSLSA-N 2 0 282.815 2.968 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1ccccc1Cl ZINC000422921130 237348634 /nfs/dbraw/zinc/34/86/34/237348634.db2.gz NJFMVTGLIYEJSL-WXHSDQCUSA-N 2 0 268.788 2.577 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1ccccc1Cl ZINC000422921128 237350073 /nfs/dbraw/zinc/35/00/73/237350073.db2.gz NJFMVTGLIYEJSL-RAIGVLPGSA-N 2 0 268.788 2.577 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422945738 237375359 /nfs/dbraw/zinc/37/53/59/237375359.db2.gz NOTCSWQOFIKPCX-NWDGAFQWSA-N 2 0 291.370 2.739 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422945298 237375814 /nfs/dbraw/zinc/37/58/14/237375814.db2.gz NKRJSQHZKPAEMU-NVXWUHKLSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422949959 237377282 /nfs/dbraw/zinc/37/72/82/237377282.db2.gz WVNFBPPATLHGPN-LBPRGKRZSA-N 2 0 286.366 2.938 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422948523 237377456 /nfs/dbraw/zinc/37/74/56/237377456.db2.gz SDHJEALYXCDLMX-GHMZBOCLSA-N 2 0 272.339 2.546 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422947518 237378633 /nfs/dbraw/zinc/37/86/33/237378633.db2.gz QJOCDUGEIIVILN-XYPWUTKMSA-N 2 0 274.408 2.555 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953774 237383393 /nfs/dbraw/zinc/38/33/93/237383393.db2.gz GHNRUXJGPHJZJD-JKSUJKDBSA-N 2 0 291.464 2.527 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422950657 237384450 /nfs/dbraw/zinc/38/44/50/237384450.db2.gz WJUUERHVVMUCPN-NVGCLXPQSA-N 2 0 290.407 2.624 20 0 CFADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385529 200171469 /nfs/dbraw/zinc/17/14/69/200171469.db2.gz AWNZVBLZUSGPGF-AAEUAGOBSA-N 2 0 299.296 2.534 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422955105 237387079 /nfs/dbraw/zinc/38/70/79/237387079.db2.gz KWUCZPJPHGGXID-KSSFIOAISA-N 2 0 299.418 2.887 20 0 CFADRP COCC1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000297457927 200197934 /nfs/dbraw/zinc/19/79/34/200197934.db2.gz HWHIJQPCVSZIGP-UHFFFAOYSA-N 2 0 273.380 2.629 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000297505290 200213831 /nfs/dbraw/zinc/21/38/31/200213831.db2.gz LUIWKCLHXFJOLC-CVEARBPZSA-N 2 0 285.391 2.772 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)CCc2ccccc2)c2ccccc21 ZINC000423031940 237464543 /nfs/dbraw/zinc/46/45/43/237464543.db2.gz LTIKXYAZINUSNP-LZQZEXGQSA-N 2 0 296.414 2.715 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069843 237500047 /nfs/dbraw/zinc/50/00/47/237500047.db2.gz MLKSUFHHTNBZOC-GXTWGEPZSA-N 2 0 298.377 2.808 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423082128 237512343 /nfs/dbraw/zinc/51/23/43/237512343.db2.gz CPRYASDUQMUPMB-OIISXLGYSA-N 2 0 294.414 2.805 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1CCC2 ZINC000257697514 540662033 /nfs/dbraw/zinc/66/20/33/540662033.db2.gz PEPOYXQJDLBRGU-SFHVURJKSA-N 2 0 270.420 2.751 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000403238135 540670528 /nfs/dbraw/zinc/67/05/28/540670528.db2.gz QLHWVWDWAZXJKG-UKRFAEJPSA-N 2 0 250.430 2.728 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1COc2ccccc21 ZINC000420402693 299300774 /nfs/dbraw/zinc/30/07/74/299300774.db2.gz KFSGJVUEURSVKF-LZWOXQAQSA-N 2 0 274.408 2.530 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404341683 540677866 /nfs/dbraw/zinc/67/78/66/540677866.db2.gz DYWOOXCSZKTOGQ-USXIJHARSA-N 2 0 276.424 2.823 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000423428809 283521212 /nfs/dbraw/zinc/52/12/12/283521212.db2.gz RTPRZUOHXDDAPO-KFGODFMUSA-N 2 0 294.483 2.936 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCN(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154024 540689292 /nfs/dbraw/zinc/68/92/92/540689292.db2.gz NDERRLPGZKGGPO-IWCQGFGOSA-N 2 0 258.409 2.862 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC000381226524 540694671 /nfs/dbraw/zinc/69/46/71/540694671.db2.gz XFAGFVSMNWUWOM-YOEHRIQHSA-N 2 0 270.376 2.994 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000406055169 540693511 /nfs/dbraw/zinc/69/35/11/540693511.db2.gz JYNNBUJRMFLKSI-NWANDNLSSA-N 2 0 250.430 2.872 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000161978376 540701646 /nfs/dbraw/zinc/70/16/46/540701646.db2.gz SMKGWYUXDOQKMH-MRXNPFEDSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000177301794 189042704 /nfs/dbraw/zinc/04/27/04/189042704.db2.gz YMFISUWPWOFEMQ-UONOGXRCSA-N 2 0 295.858 2.627 20 0 CFADRP CCC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1CCCC1 ZINC000423172940 283570438 /nfs/dbraw/zinc/57/04/38/283570438.db2.gz WBMGVJYSCVCHEW-HUUCEWRRSA-N 2 0 256.434 2.689 20 0 CFADRP c1cc(C2CCC2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000683779570 540780053 /nfs/dbraw/zinc/78/00/53/540780053.db2.gz DVKIEPNBCQLHIG-IAGOWNOFSA-N 2 0 256.393 2.605 20 0 CFADRP [NH3+]CCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742421 189142076 /nfs/dbraw/zinc/14/20/76/189142076.db2.gz QPLRAAZOHTUNGQ-UHFFFAOYSA-N 2 0 289.423 2.740 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000414924368 540830448 /nfs/dbraw/zinc/83/04/48/540830448.db2.gz KAJDIHPMWFBELP-MNOVXSKESA-N 2 0 256.752 2.839 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](c2ccsc2)O1 ZINC000178976293 189159149 /nfs/dbraw/zinc/15/91/49/189159149.db2.gz ZUCQWIZQNJJIHX-SWLSCSKDSA-N 2 0 280.437 2.510 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCCC1 ZINC000386103717 540829768 /nfs/dbraw/zinc/82/97/68/540829768.db2.gz RTGWEMOXYOYWBL-WCVJEAGWSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]CCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000435873096 240364634 /nfs/dbraw/zinc/36/46/34/240364634.db2.gz SYLQUWWKOOJFOZ-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1)C1C[NH2+]C1 ZINC000423093559 238197630 /nfs/dbraw/zinc/19/76/30/238197630.db2.gz HYZZFPRFZAKEQP-OUCADQQQSA-N 2 0 262.372 2.659 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423098604 238199355 /nfs/dbraw/zinc/19/93/55/238199355.db2.gz SMJQPQTUXKBJOY-CFVMTHIKSA-N 2 0 282.378 2.970 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423124423 238216103 /nfs/dbraw/zinc/21/61/03/238216103.db2.gz GRGKHFSEBZJDLU-AWEZNQCLSA-N 2 0 260.425 2.779 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000414937193 540831736 /nfs/dbraw/zinc/83/17/36/540831736.db2.gz ZWPBRRBXJSZLMS-NWDGAFQWSA-N 2 0 290.436 2.633 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000414937192 540831804 /nfs/dbraw/zinc/83/18/04/540831804.db2.gz ZWPBRRBXJSZLMS-NEPJUHHUSA-N 2 0 290.436 2.633 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000414932905 540831944 /nfs/dbraw/zinc/83/19/44/540831944.db2.gz WEMUXSYPNMYNMK-CFVMTHIKSA-N 2 0 294.414 2.872 20 0 CFADRP c1nc(C2CC2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414968593 540832322 /nfs/dbraw/zinc/83/23/22/540832322.db2.gz RSQWNLAZBNANSY-GFCCVEGCSA-N 2 0 265.426 2.642 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)c1OC ZINC000423132443 238221527 /nfs/dbraw/zinc/22/15/27/238221527.db2.gz UOXUXAMHOPQBBH-LOWVWBTDSA-N 2 0 280.412 2.789 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1scnc1C1CC1 ZINC000415017576 540832692 /nfs/dbraw/zinc/83/26/92/540832692.db2.gz SLISIWGXXKXIPY-JTQLQIEISA-N 2 0 253.415 2.628 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423103636 238202840 /nfs/dbraw/zinc/20/28/40/238202840.db2.gz XRQANEMKDDYZIT-WFGGJUAMSA-N 2 0 262.372 2.789 20 0 CFADRP COCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)(C)C ZINC000423107862 238203842 /nfs/dbraw/zinc/20/38/42/238203842.db2.gz FNCDNTRQYHZEKM-RUXDESIVSA-N 2 0 256.434 2.545 20 0 CFADRP COc1ccc(-c2ccc(C[NH2+]CCC[NH3+])s2)cc1 ZINC000415103587 540834528 /nfs/dbraw/zinc/83/45/28/540834528.db2.gz KPISZHMMNXMLPD-UHFFFAOYSA-N 2 0 276.405 2.862 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000423116340 238207919 /nfs/dbraw/zinc/20/79/19/238207919.db2.gz PLWJWBAYTCGMLQ-ATGSNQNLSA-N 2 0 292.398 2.668 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000423116343 238208386 /nfs/dbraw/zinc/20/83/86/238208386.db2.gz PLWJWBAYTCGMLQ-NMFUWQPSSA-N 2 0 292.398 2.668 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118192 238210861 /nfs/dbraw/zinc/21/08/61/238210861.db2.gz ZGBHIIDYEVVRSI-NWDGAFQWSA-N 2 0 277.387 2.955 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423117837 238211595 /nfs/dbraw/zinc/21/15/95/238211595.db2.gz XMWIMRHFDMLNHP-XJKSGUPXSA-N 2 0 271.408 2.688 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1Cl ZINC000423139075 238226522 /nfs/dbraw/zinc/22/65/22/238226522.db2.gz KEZWDSUEVLFNLO-XNRPHZJLSA-N 2 0 296.842 2.533 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140166 238227114 /nfs/dbraw/zinc/22/71/14/238227114.db2.gz XPDJOHIJAVXMSR-HOTGVXAUSA-N 3 0 267.461 2.502 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CSc2ccccc21 ZINC000423142622 238229505 /nfs/dbraw/zinc/22/95/05/238229505.db2.gz AUTYINGLQJMQRC-STQMWFEESA-N 2 0 264.438 2.983 20 0 CFADRP COCC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000423143735 238230883 /nfs/dbraw/zinc/23/08/83/238230883.db2.gz XSFHRIALOARCBT-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423148753 238237571 /nfs/dbraw/zinc/23/75/71/238237571.db2.gz WLLGWMVDWTVPJS-YJOCZYATSA-N 2 0 292.398 2.545 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@H]3C[NH3+])C2)c1 ZINC000423152674 238239115 /nfs/dbraw/zinc/23/91/15/238239115.db2.gz GDTYIJYMTXMFEI-JKQORVJESA-N 2 0 274.408 2.658 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423156062 238239288 /nfs/dbraw/zinc/23/92/88/238239288.db2.gz RQXFNJZBCZEJFQ-DOMZBBRYSA-N 2 0 289.448 2.542 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423155553 238239337 /nfs/dbraw/zinc/23/93/37/238239337.db2.gz QSMIVKIIBVGLCC-CVEARBPZSA-N 2 0 264.388 2.926 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423155649 238239912 /nfs/dbraw/zinc/23/99/12/238239912.db2.gz JQPBVXFHNIOIFE-VHSXEESVSA-N 2 0 274.767 2.573 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423131855 238223084 /nfs/dbraw/zinc/22/30/84/238223084.db2.gz OPWLFWWNJQTRIV-WHOFXGATSA-N 2 0 250.361 2.789 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC000423135285 238224976 /nfs/dbraw/zinc/22/49/76/238224976.db2.gz NILSXULKINJLDB-UHFFFAOYSA-N 2 0 272.314 2.711 20 0 CFADRP Fc1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423134805 238225412 /nfs/dbraw/zinc/22/54/12/238225412.db2.gz SDURYDSZCRJBND-ABWAJUOPSA-N 2 0 274.383 2.944 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000423173798 238252613 /nfs/dbraw/zinc/25/26/13/238252613.db2.gz ABQCLTQXFLGFKF-YXMSTPNBSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000423176271 238256422 /nfs/dbraw/zinc/25/64/22/238256422.db2.gz GAHOMWRBMLTMAE-YTFOTSKYSA-N 2 0 268.445 2.543 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000423165862 238246305 /nfs/dbraw/zinc/24/63/05/238246305.db2.gz BKOFAICUWNWWFO-ZOFXXKQRSA-N 2 0 292.467 2.844 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000423167849 238249695 /nfs/dbraw/zinc/24/96/95/238249695.db2.gz XIYLOQYMVKXJCX-OWIUFQIYSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423167994 238249877 /nfs/dbraw/zinc/24/98/77/238249877.db2.gz TVILFWXYGVROHS-OEAJRASXSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c2ccccc12 ZINC000423169292 238251187 /nfs/dbraw/zinc/25/11/87/238251187.db2.gz IXCOVNCXASZAAJ-GDIGMMSISA-N 2 0 298.430 2.990 20 0 CFADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH3+] ZINC000423187653 238262826 /nfs/dbraw/zinc/26/28/26/238262826.db2.gz LAHRAHXDKPQPSY-LLVKDONJSA-N 2 0 274.330 2.965 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000306774368 540886340 /nfs/dbraw/zinc/88/63/40/540886340.db2.gz VPFHJLJNSIJFDV-IXDOHACOSA-N 2 0 274.408 2.547 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423230564 238292726 /nfs/dbraw/zinc/29/27/26/238292726.db2.gz JLRYOJPMJXTSLG-VHSXEESVSA-N 2 0 271.202 2.837 20 0 CFADRP COCCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423214344 238282274 /nfs/dbraw/zinc/28/22/74/238282274.db2.gz OQQJHGLZQOAUHO-WMLDXEAASA-N 2 0 294.414 2.883 20 0 CFADRP COCCC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423214346 238283666 /nfs/dbraw/zinc/28/36/66/238283666.db2.gz OQQJHGLZQOAUHO-YOEHRIQHSA-N 2 0 294.414 2.883 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423249951 238308384 /nfs/dbraw/zinc/30/83/84/238308384.db2.gz PPKDFTMUUUAKMI-WMZOPIPTSA-N 2 0 272.436 2.905 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423251660 238310068 /nfs/dbraw/zinc/31/00/68/238310068.db2.gz SGQQQWWCRHVLJP-XHDPSFHLSA-N 2 0 264.800 2.917 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423253361 238310467 /nfs/dbraw/zinc/31/04/67/238310467.db2.gz VVENEWUUYDFANP-MJSCVDMRSA-N 2 0 288.435 2.776 20 0 CFADRP c1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423255082 238313212 /nfs/dbraw/zinc/31/32/12/238313212.db2.gz ASEHMGQBRLDBGU-CRAIPNDOSA-N 2 0 296.418 2.545 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000423153848 283606282 /nfs/dbraw/zinc/60/62/82/283606282.db2.gz IFIJKHMUJBDOIF-BZUAXINKSA-N 2 0 270.461 2.936 20 0 CFADRP CCc1nc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000156479525 540930424 /nfs/dbraw/zinc/93/04/24/540930424.db2.gz SFJWMGREYRWBLK-LLVKDONJSA-N 2 0 267.442 2.525 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)C[NH3+] ZINC000423311162 238364755 /nfs/dbraw/zinc/36/47/55/238364755.db2.gz STWIBWCLKZQYQN-WDEREUQCSA-N 2 0 274.330 2.821 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC000423310279 238365217 /nfs/dbraw/zinc/36/52/17/238365217.db2.gz RRMULSCDCFHCTQ-NWANDNLSSA-N 2 0 261.413 2.601 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CC2)c1 ZINC000423311639 238366954 /nfs/dbraw/zinc/36/69/54/238366954.db2.gz CCWZTXDHDHYTBX-SJORKVTESA-N 2 0 258.409 2.643 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423317108 238368590 /nfs/dbraw/zinc/36/85/90/238368590.db2.gz CFDGQRSQNMNARA-CHWSQXEVSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000423288963 238349616 /nfs/dbraw/zinc/34/96/16/238349616.db2.gz ADNNWVKTMBRBDT-XEZPLFJOSA-N 2 0 262.397 2.611 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1F ZINC000423294436 238351323 /nfs/dbraw/zinc/35/13/23/238351323.db2.gz BWZQOTLGTVVAMX-ZJUUUORDSA-N 2 0 256.390 2.793 20 0 CFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000423298737 238356090 /nfs/dbraw/zinc/35/60/90/238356090.db2.gz ADTKHIIQMHPTQR-XKQJLSEDSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423303514 238358713 /nfs/dbraw/zinc/35/87/13/238358713.db2.gz LVEVHGYQUZVLIT-JTQLQIEISA-N 2 0 286.391 2.914 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000685615260 540946355 /nfs/dbraw/zinc/94/63/55/540946355.db2.gz BWDPGCKCOSAOCG-FUHWJXTLSA-N 2 0 293.499 2.596 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423328109 238381771 /nfs/dbraw/zinc/38/17/71/238381771.db2.gz AEXVCGLNBYBZBU-SFHVURJKSA-N 2 0 270.420 2.825 20 0 CFADRP [NH3+][C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C1CC1 ZINC000423315076 238369542 /nfs/dbraw/zinc/36/95/42/238369542.db2.gz IIDZBYAHZAZJGX-AVVWSFFYSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC[NH+](C)CC1 ZINC000390699145 540981399 /nfs/dbraw/zinc/98/13/99/540981399.db2.gz SMYRLSQFTXQUDV-WCQYABFASA-N 2 0 260.372 2.742 20 0 CFADRP COCC[NH2+]CCN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000423318992 238373401 /nfs/dbraw/zinc/37/34/01/238373401.db2.gz BZSDQSPJKNXFKX-OAHLLOKOSA-N 2 0 284.831 2.863 20 0 CFADRP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000423324597 238375849 /nfs/dbraw/zinc/37/58/49/238375849.db2.gz KPOUWLXRKJWXSB-NNZMDNLPSA-N 2 0 299.462 2.653 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158115027 540967207 /nfs/dbraw/zinc/96/72/07/540967207.db2.gz ZFRUGRVNYLLBQJ-PBHICJAKSA-N 2 0 258.409 2.914 20 0 CFADRP c1ccc([C@@H]2CC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423360145 238406116 /nfs/dbraw/zinc/40/61/16/238406116.db2.gz VSPBIWGXYHQLRY-IAGOWNOFSA-N 2 0 256.393 2.832 20 0 CFADRP C[C@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423339585 238390938 /nfs/dbraw/zinc/39/09/38/238390938.db2.gz VKIXONDMPDWICJ-ROUUACIJSA-N 2 0 272.436 2.987 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000423346060 238396821 /nfs/dbraw/zinc/39/68/21/238396821.db2.gz ZGDREETYSJIREO-CYBMUJFWSA-N 2 0 292.423 2.744 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423379521 238422443 /nfs/dbraw/zinc/42/24/43/238422443.db2.gz CZODTORJRCTOIK-LBPRGKRZSA-N 2 0 298.377 2.632 20 0 CFADRP COCC1(C[NH2+][C@@H](CCC(C)C)C2CC2)CC[NH2+]CC1 ZINC000423410425 238444971 /nfs/dbraw/zinc/44/49/71/238444971.db2.gz RRORARSUWZPQOH-INIZCTEOSA-N 2 0 282.472 2.807 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423447683 238462787 /nfs/dbraw/zinc/46/27/87/238462787.db2.gz ZXLJJRWMSGBJOF-MNOVXSKESA-N 2 0 256.415 2.925 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000423462918 238470689 /nfs/dbraw/zinc/47/06/89/238470689.db2.gz PSOMOSWKRVAHBU-LXINESAQSA-N 2 0 294.389 2.968 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](CC(C)C)CC2)CCC1 ZINC000311633001 541029344 /nfs/dbraw/zinc/02/93/44/541029344.db2.gz JOBXEIQKCKOSCP-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000423496859 238496590 /nfs/dbraw/zinc/49/65/90/238496590.db2.gz FOJQRPBRUVXSSF-HOTGVXAUSA-N 2 0 264.413 2.727 20 0 CFADRP COC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000423496858 238496914 /nfs/dbraw/zinc/49/69/14/238496914.db2.gz FOJQRPBRUVXSSF-CVEARBPZSA-N 2 0 264.413 2.727 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)nc1C ZINC000314808148 541047513 /nfs/dbraw/zinc/04/75/13/541047513.db2.gz PDHSKSHCSIGTFY-CQSZACIVSA-N 2 0 261.413 2.518 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423535603 238519105 /nfs/dbraw/zinc/51/91/05/238519105.db2.gz DNYYRFFWUHGXLC-LPHOPBHVSA-N 2 0 299.462 2.549 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)CCCn2ccnc2)cc1 ZINC000182662337 189330200 /nfs/dbraw/zinc/33/02/00/189330200.db2.gz XGFQXQWIIARPHP-CQSZACIVSA-N 2 0 273.380 2.975 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000184275827 189381181 /nfs/dbraw/zinc/38/11/81/189381181.db2.gz SCSGHCZNCMCYBL-KBPBESRZSA-N 2 0 259.397 2.525 20 0 CFADRP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccccc12 ZINC000184828193 189396589 /nfs/dbraw/zinc/39/65/89/189396589.db2.gz ZKNXXPMEOIRUFM-HNNXBMFYSA-N 2 0 298.434 2.673 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000425339628 239000216 /nfs/dbraw/zinc/00/02/16/239000216.db2.gz CVXHSOWLWKJGLT-HOCLYGCPSA-N 2 0 294.464 2.611 20 0 CFADRP COCC1(C[NH2+]CC(C)(C)c2ccccc2)CC[NH2+]CC1 ZINC000666894752 541156509 /nfs/dbraw/zinc/15/65/09/541156509.db2.gz HRIKDLXXVUUBOV-UHFFFAOYSA-N 2 0 290.451 2.570 20 0 CFADRP COCC1(C[NH2+]Cc2ccccc2C2CC2)CC[NH2+]CC1 ZINC000666894777 541156538 /nfs/dbraw/zinc/15/65/38/541156538.db2.gz UOIBNCSSMGYRMW-UHFFFAOYSA-N 2 0 288.435 2.670 20 0 CFADRP Fc1c(Cl)cccc1CN[C@H]1CCC[NH2+]CC1 ZINC000666855354 541151906 /nfs/dbraw/zinc/15/19/06/541151906.db2.gz NRUQUPCTAIUBBB-NSHDSACASA-N 2 0 256.752 2.711 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666855401 541152639 /nfs/dbraw/zinc/15/26/39/541152639.db2.gz PWWSMFYCEIBHEL-INIZCTEOSA-N 2 0 276.424 2.953 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2c1 ZINC000666856343 541152775 /nfs/dbraw/zinc/15/27/75/541152775.db2.gz BWVXEWOBPCXYNW-ZDUSSCGKSA-N 2 0 274.364 2.673 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666855402 541152918 /nfs/dbraw/zinc/15/29/18/541152918.db2.gz PWWSMFYCEIBHEL-MRXNPFEDSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857605 541152959 /nfs/dbraw/zinc/15/29/59/541152959.db2.gz AKSTWWKMSMSKOW-HIFRSBDPSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857975 541153516 /nfs/dbraw/zinc/15/35/16/541153516.db2.gz RRVZNEXYJUCNAA-JSGCOSHPSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858035 541153535 /nfs/dbraw/zinc/15/35/35/541153535.db2.gz UILHMBKVYCPLQZ-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2c1 ZINC000666743573 541137706 /nfs/dbraw/zinc/13/77/06/541137706.db2.gz DNNMQVNVFZFQJP-SWLSCSKDSA-N 2 0 258.365 2.958 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2cnccc2c1 ZINC000666935502 541163169 /nfs/dbraw/zinc/16/31/69/541163169.db2.gz KAUXCFPSNOFFFC-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncccc1C(F)(F)F ZINC000666937606 541163922 /nfs/dbraw/zinc/16/39/22/541163922.db2.gz BNVPKDLPKGQTHV-JTQLQIEISA-N 2 0 275.318 2.708 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950874 541165260 /nfs/dbraw/zinc/16/52/60/541165260.db2.gz OJXSLMNQSMYMOS-ZDUSSCGKSA-N 2 0 268.763 2.711 20 0 CFADRP CC[C@@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666952160 541166088 /nfs/dbraw/zinc/16/60/88/541166088.db2.gz HZYKMLSDBGCROW-GOEBONIOSA-N 2 0 258.409 2.912 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666954299 541166373 /nfs/dbraw/zinc/16/63/73/541166373.db2.gz UENXDIDCUDNLRF-HNNXBMFYSA-N 2 0 258.409 2.696 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953904 541166377 /nfs/dbraw/zinc/16/63/77/541166377.db2.gz KRBLDZHDDINVHA-CXAGYDPISA-N 2 0 298.434 2.616 20 0 CFADRP Clc1ccsc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953626 541166557 /nfs/dbraw/zinc/16/65/57/541166557.db2.gz CJCISVFGCMCDBL-NSHDSACASA-N 2 0 256.802 2.633 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954388 541166617 /nfs/dbraw/zinc/16/66/17/541166617.db2.gz VZTKQXYCARFQDR-JKSUJKDBSA-N 2 0 258.409 2.739 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953620 541166718 /nfs/dbraw/zinc/16/67/18/541166718.db2.gz CEOFGINNNCVJDM-YMAMQOFZSA-N 2 0 250.430 2.933 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666953518 541166723 /nfs/dbraw/zinc/16/67/23/541166723.db2.gz AJDAQHBCJAWGOZ-ZDUSSCGKSA-N 2 0 268.763 2.711 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000666954702 541167095 /nfs/dbraw/zinc/16/70/95/541167095.db2.gz ZKDWNSMTLGDPSI-HOCLYGCPSA-N 2 0 258.409 2.597 20 0 CFADRP Cc1nn(C(C)C)cc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993763 541170764 /nfs/dbraw/zinc/17/07/64/541170764.db2.gz HRASBCYOSJRCSB-OAHLLOKOSA-N 2 0 276.428 2.537 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995405 541171599 /nfs/dbraw/zinc/17/15/99/541171599.db2.gz NATGVGNWTFYGLP-MNOVXSKESA-N 2 0 264.335 2.982 20 0 CFADRP c1cnn(-c2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2)c1 ZINC000666996952 541172207 /nfs/dbraw/zinc/17/22/07/541172207.db2.gz NNLMFEBYUZPRHP-INIZCTEOSA-N 2 0 296.418 2.637 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666901578 541157753 /nfs/dbraw/zinc/15/77/53/541157753.db2.gz LQVXBBOKSXFZFS-XJKSGUPXSA-N 2 0 274.408 2.530 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666903235 541158537 /nfs/dbraw/zinc/15/85/37/541158537.db2.gz ATNSINXXUKYYBK-CABCVRRESA-N 2 0 274.408 2.675 20 0 CFADRP c1ccc2c(c1)CC[NH+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000317667527 541221802 /nfs/dbraw/zinc/22/18/02/541221802.db2.gz VGIWLAPZCFTBAI-UHFFFAOYSA-N 2 0 292.426 2.933 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186589636 189444290 /nfs/dbraw/zinc/44/42/90/189444290.db2.gz JCXPQAGTAOPPJJ-DLBZAZTESA-N 2 0 289.467 2.672 20 0 CFADRP Cc1ncc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)n1C ZINC000667651946 541279084 /nfs/dbraw/zinc/27/90/84/541279084.db2.gz NNNRCCJEMBHTGY-QGZVFWFLSA-N 2 0 298.434 2.829 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667759041 541306912 /nfs/dbraw/zinc/30/69/12/541306912.db2.gz XKKLGIIMQTVYOS-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667786464 541314064 /nfs/dbraw/zinc/31/40/64/541314064.db2.gz RBDOTHNLSYAMIY-HYVNUMGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667787000 541314168 /nfs/dbraw/zinc/31/41/68/541314168.db2.gz GRMFIMQDQPAPFR-OIISXLGYSA-N 2 0 280.456 2.656 20 0 CFADRP Clc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414970855 294104922 /nfs/dbraw/zinc/10/49/22/294104922.db2.gz KUTHUGGAZPOQOV-AWEZNQCLSA-N 2 0 252.789 2.962 20 0 CFADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414759251 291297974 /nfs/dbraw/zinc/29/79/74/291297974.db2.gz DVTNEDPUPQKKPS-WRWGMCAJSA-N 2 0 264.335 2.647 20 0 CFADRP C[C@H]1[C@H](NC2CC[NH+](C3CCCCC3)CC2)CCC[N@@H+]1C ZINC000346324119 291309518 /nfs/dbraw/zinc/30/95/18/291309518.db2.gz GNIKZRFSYJICJM-MAUKXSAKSA-N 2 0 293.499 2.856 20 0 CFADRP c1cc(C[N@@H+]2CCCC3(CC3)C2)n(-c2ccncc2)n1 ZINC000667999153 541363402 /nfs/dbraw/zinc/36/34/02/541363402.db2.gz WEUPFPDCWUBLFL-UHFFFAOYSA-N 2 0 268.364 2.643 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000668189011 541398034 /nfs/dbraw/zinc/39/80/34/541398034.db2.gz VWAODCSBXSEULH-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000435376821 240305302 /nfs/dbraw/zinc/30/53/02/240305302.db2.gz VEUZMGDMODSRHK-GXTWGEPZSA-N 2 0 264.438 2.968 20 0 CFADRP CC[N@H+](Cc1cccc(COC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435377724 240305919 /nfs/dbraw/zinc/30/59/19/240305919.db2.gz AGERJVBWRMGEDK-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP CCSc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000435375051 240306370 /nfs/dbraw/zinc/30/63/70/240306370.db2.gz ZBXIYMSAUVJRAK-UHFFFAOYSA-N 2 0 264.438 2.969 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH+]2CCC(C[NH3+])CC2)cc1F ZINC000435369191 240306606 /nfs/dbraw/zinc/30/66/06/240306606.db2.gz DCXBFQFUCQTBAF-CYBMUJFWSA-N 2 0 294.414 2.684 20 0 CFADRP CC[N@H+](Cc1cc(OC)cc(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435387217 240310447 /nfs/dbraw/zinc/31/04/47/240310447.db2.gz YJQIQJYETCRSEA-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000482872041 283836446 /nfs/dbraw/zinc/83/64/46/283836446.db2.gz IHIRLAANHUVSFU-GVDBMIGSSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1[nH+]c2ccccc2c(N[C@@H](C)C[NH+](C)C)c1C ZINC000436707919 240489898 /nfs/dbraw/zinc/48/98/98/240489898.db2.gz SSJARYZXMIRTIM-NSHDSACASA-N 2 0 257.381 2.636 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442872104 241009239 /nfs/dbraw/zinc/00/92/39/241009239.db2.gz JCSWYMLCYISHKG-CVEARBPZSA-N 2 0 295.515 2.817 20 0 CFADRP CCCC[C@H]1CCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442866341 241010772 /nfs/dbraw/zinc/01/07/72/241010772.db2.gz ICPLZPXKTJKCKX-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000443078954 241039302 /nfs/dbraw/zinc/03/93/02/241039302.db2.gz XTJYBZGAZMQSRC-SFHVURJKSA-N 2 0 290.451 2.697 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)o1 ZINC000447563712 241384151 /nfs/dbraw/zinc/38/41/51/241384151.db2.gz RUDUJEVXXQIWAX-OAHLLOKOSA-N 2 0 293.455 2.575 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)CC1CCOCC1 ZINC000446887340 241335513 /nfs/dbraw/zinc/33/55/13/241335513.db2.gz RHGBDAGUEOKRLL-OAHLLOKOSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)o1 ZINC000447604944 241394384 /nfs/dbraw/zinc/39/43/84/241394384.db2.gz FDSNMEKTBFOXSJ-ZFWWWQNUSA-N 2 0 293.455 2.573 20 0 CFADRP C[C@]1(C[NH+]2CCC(F)(c3ccccc3)CC2)CC[NH2+]C1 ZINC000262097145 291380169 /nfs/dbraw/zinc/38/01/69/291380169.db2.gz VHVUQCYRVZJHOL-INIZCTEOSA-N 2 0 276.399 2.947 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449230236 241778150 /nfs/dbraw/zinc/77/81/50/241778150.db2.gz IZVZQSPBNRDHPX-CYBMUJFWSA-N 2 0 250.386 2.532 20 0 CFADRP Cc1ccc2ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)n2c1 ZINC000449526253 242003402 /nfs/dbraw/zinc/00/34/02/242003402.db2.gz DOCRMSWIOOVGRP-UHFFFAOYSA-N 2 0 288.439 2.853 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)C3CCC3)CC2)C1 ZINC000449738940 242127561 /nfs/dbraw/zinc/12/75/61/242127561.db2.gz HBWMMDWRJLBFNL-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCC1 ZINC000449739714 242128469 /nfs/dbraw/zinc/12/84/69/242128469.db2.gz LSNRSJLHMNZJLH-KRWDZBQOSA-N 2 0 280.456 2.534 20 0 CFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCC1 ZINC000449739715 242128523 /nfs/dbraw/zinc/12/85/23/242128523.db2.gz LSNRSJLHMNZJLH-QGZVFWFLSA-N 2 0 280.456 2.534 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(COC)CCCC2)CC1 ZINC000449742180 242130797 /nfs/dbraw/zinc/13/07/97/242130797.db2.gz NFQJKVSGNYHXHA-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@]1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCC[NH2+]C1 ZINC000423345977 291390860 /nfs/dbraw/zinc/39/08/60/291390860.db2.gz PIFPBOREOHUGQG-IRXDYDNUSA-N 2 0 273.424 2.902 20 0 CFADRP CC(C)(C)OCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000674910098 541606759 /nfs/dbraw/zinc/60/67/59/541606759.db2.gz ZWKWEHRCKPWDNH-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450347977 242369645 /nfs/dbraw/zinc/36/96/45/242369645.db2.gz JMWWVTIJTFFSHR-IAGOWNOFSA-N 2 0 282.472 2.735 20 0 CFADRP CCc1cc(N2CC[C@H](Oc3ccncc3)C2)cc[nH+]1 ZINC000450375946 242384687 /nfs/dbraw/zinc/38/46/87/242384687.db2.gz GAVRXOIRMFACSF-INIZCTEOSA-N 2 0 269.348 2.697 20 0 CFADRP CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc[nH+]1 ZINC000450527563 242464980 /nfs/dbraw/zinc/46/49/80/242464980.db2.gz ZQKKQIWNQXQRTP-BBRMVZONSA-N 2 0 259.397 2.707 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423171885 296113599 /nfs/dbraw/zinc/11/35/99/296113599.db2.gz QKURXZKTZMXBKV-CQLXCSJHSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422819400 296116830 /nfs/dbraw/zinc/11/68/30/296116830.db2.gz IAJBCQLMIKKFDO-LLVKDONJSA-N 2 0 266.816 2.815 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000268876609 296121891 /nfs/dbraw/zinc/12/18/91/296121891.db2.gz HASNCMRLUCFQLG-HUUCEWRRSA-N 2 0 294.414 2.713 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675733698 541686212 /nfs/dbraw/zinc/68/62/12/541686212.db2.gz FJZYKLHBDAXXRZ-OAHLLOKOSA-N 2 0 290.451 2.866 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000675769904 541691545 /nfs/dbraw/zinc/69/15/45/541691545.db2.gz OSIJLBMSSUFOGX-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCn2cnc3ccccc32)CC1 ZINC000675778544 541692757 /nfs/dbraw/zinc/69/27/57/541692757.db2.gz YZMDSVAMYYONOF-UHFFFAOYSA-N 2 0 286.423 2.500 20 0 CFADRP CC[NH+]1CCC([NH2+]CCN2CCCc3ccccc32)CC1 ZINC000675783514 541693673 /nfs/dbraw/zinc/69/36/73/541693673.db2.gz JIVFNVBJUYKPDY-UHFFFAOYSA-N 2 0 287.451 2.513 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000453057697 243380368 /nfs/dbraw/zinc/38/03/68/243380368.db2.gz IUKCHILPMIFBQT-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453056978 243381021 /nfs/dbraw/zinc/38/10/21/243381021.db2.gz CYYCBSPVCQTWGB-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000453081039 243393055 /nfs/dbraw/zinc/39/30/55/243393055.db2.gz DUWWEBRCGDDEMH-GJZGRUSLSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453375225 243537526 /nfs/dbraw/zinc/53/75/26/243537526.db2.gz IAAUHMBPFDYSMX-KFWWJZLASA-N 2 0 282.472 2.636 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000675928949 541709880 /nfs/dbraw/zinc/70/98/80/541709880.db2.gz WPWYLHGZDQIRPJ-FMKPAKJESA-N 2 0 261.413 2.505 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675926598 541710000 /nfs/dbraw/zinc/71/00/00/541710000.db2.gz SLPOLPMOKQZLID-YJBOKZPZSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422727910 296132635 /nfs/dbraw/zinc/13/26/35/296132635.db2.gz DSEWVWKQQMAKSP-QLFBSQMISA-N 2 0 293.480 2.615 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423342551 296134303 /nfs/dbraw/zinc/13/43/03/296134303.db2.gz NFTLLZDJXCJQNA-RHSMWYFYSA-N 2 0 275.440 2.793 20 0 CFADRP O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)C[NH+]1CCCC1 ZINC000676702059 541778582 /nfs/dbraw/zinc/77/85/82/541778582.db2.gz PEBMZJNMVYMFJW-ROUUACIJSA-N 2 0 288.435 2.574 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC1(C)COC1 ZINC000227518080 189785096 /nfs/dbraw/zinc/78/50/96/189785096.db2.gz MJRRHGGBGRQRLQ-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000230404015 189810214 /nfs/dbraw/zinc/81/02/14/189810214.db2.gz MXNSQWJMESSJDM-DGADGQDISA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2ccc(F)cn2)CC1 ZINC000276364451 193301683 /nfs/dbraw/zinc/30/16/83/193301683.db2.gz MZVCGUORQMTHRT-UHFFFAOYSA-N 2 0 265.376 2.525 20 0 CFADRP Cn1cncc1CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000459332696 245145032 /nfs/dbraw/zinc/14/50/32/245145032.db2.gz YWOYNOWCYZJSST-UHFFFAOYSA-N 2 0 291.439 2.776 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459461297 245186867 /nfs/dbraw/zinc/18/68/67/245186867.db2.gz JIRZRMVEHXSCOH-NRXISQOPSA-N 2 0 270.461 2.758 20 0 CFADRP CN(C)c1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459721092 245281592 /nfs/dbraw/zinc/28/15/92/245281592.db2.gz AOEKPGHZIXVBOH-HNNXBMFYSA-N 2 0 275.440 2.574 20 0 CFADRP CN(C)c1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459721093 245282094 /nfs/dbraw/zinc/28/20/94/245282094.db2.gz AOEKPGHZIXVBOH-OAHLLOKOSA-N 2 0 275.440 2.574 20 0 CFADRP COc1cc(F)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459793259 245329662 /nfs/dbraw/zinc/32/96/62/245329662.db2.gz TWIIHNMMOQYVNO-ZDUSSCGKSA-N 2 0 280.387 2.656 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccn(C)n1 ZINC000459791947 245330458 /nfs/dbraw/zinc/33/04/58/245330458.db2.gz NOPLKTNHPZYOLO-OAHLLOKOSA-N 2 0 278.444 2.727 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000459799132 245332534 /nfs/dbraw/zinc/33/25/34/245332534.db2.gz YKWPNRVDIWIYDA-LBPRGKRZSA-N 2 0 282.815 2.867 20 0 CFADRP CCN1CCC([NH2+][C@H](C)CCC[NH+](CC)CC)CC1 ZINC000019914754 372208084 /nfs/dbraw/zinc/20/80/84/372208084.db2.gz CSQUHWDMXHFUHX-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000019843434 372197748 /nfs/dbraw/zinc/19/77/48/372197748.db2.gz HSSGTGKYPGMINO-LBPRGKRZSA-N 2 0 288.313 2.756 20 0 CFADRP CC[NH+](CC)CCNc1cc[nH+]c2cc(OC)ccc12 ZINC000027105072 372335368 /nfs/dbraw/zinc/33/53/68/372335368.db2.gz GLZUWXVIBLTTAS-UHFFFAOYSA-N 2 0 273.380 2.997 20 0 CFADRP CSc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036300765 372570375 /nfs/dbraw/zinc/57/03/75/372570375.db2.gz XDNQYVFALXGHKP-UHFFFAOYSA-N 2 0 250.411 2.592 20 0 CFADRP C[N@H+](Cc1ccc(F)c2cccnc12)C1CC[NH2+]CC1 ZINC000036300737 372570530 /nfs/dbraw/zinc/57/05/30/372570530.db2.gz JOMMCJJCZANEPD-UHFFFAOYSA-N 2 0 273.355 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000037644265 372680837 /nfs/dbraw/zinc/68/08/37/372680837.db2.gz DICSPVJYRSLJNX-DZGCQCFKSA-N 2 0 289.423 2.637 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000037644178 372682572 /nfs/dbraw/zinc/68/25/72/372682572.db2.gz OMNHRMYDFXMJDZ-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH3+])c1cccc(Br)c1 ZINC000037713779 372691189 /nfs/dbraw/zinc/69/11/89/372691189.db2.gz VZRRRFFQZIOFBP-GFCCVEGCSA-N 2 0 271.202 2.839 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000333342008 205233008 /nfs/dbraw/zinc/23/30/08/205233008.db2.gz YHTHGSPNHFXCRK-HOCLYGCPSA-N 2 0 273.424 2.568 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044533067 373005005 /nfs/dbraw/zinc/00/50/05/373005005.db2.gz QLTNVLSHGXWZAN-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000045663584 373026470 /nfs/dbraw/zinc/02/64/70/373026470.db2.gz ZWFRSJJPVSSXBM-ZDUSSCGKSA-N 2 0 280.412 2.696 20 0 CFADRP Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000047892370 373128213 /nfs/dbraw/zinc/12/82/13/373128213.db2.gz ULOVKFSMFVJOBA-HNNXBMFYSA-N 2 0 258.409 2.877 20 0 CFADRP C[NH2+]C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000053158136 373464615 /nfs/dbraw/zinc/46/46/15/373464615.db2.gz KACCPWORWQRYDL-NSHDSACASA-N 2 0 256.752 2.520 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccc1 ZINC000052046826 373432417 /nfs/dbraw/zinc/43/24/17/373432417.db2.gz XQZNTJHGXNZNNQ-AWEZNQCLSA-N 2 0 274.412 2.887 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488430573 245854341 /nfs/dbraw/zinc/85/43/41/245854341.db2.gz NFSKPNDNKUZBHJ-GDBMZVCRSA-N 2 0 252.446 2.990 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1O ZINC000057994042 373620411 /nfs/dbraw/zinc/62/04/11/373620411.db2.gz BYSCHCXDCKAYNU-AWEZNQCLSA-N 2 0 292.423 2.612 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252881739 220229224 /nfs/dbraw/zinc/22/92/24/220229224.db2.gz YWQFUOYGVDBYOJ-BPUTZDHNSA-N 2 0 276.449 2.968 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000062050388 373743609 /nfs/dbraw/zinc/74/36/09/373743609.db2.gz ASMXRXPPTQBPKO-DZGCQCFKSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000062052510 373745502 /nfs/dbraw/zinc/74/55/02/373745502.db2.gz LXMBTDMKEWPRGL-CQSZACIVSA-N 2 0 264.388 2.832 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1ccco1)C[NH+]1CCCC1 ZINC000062078384 373746546 /nfs/dbraw/zinc/74/65/46/373746546.db2.gz LSEQNTWPBOSCHF-CABCVRRESA-N 2 0 264.413 2.922 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000063158759 373788939 /nfs/dbraw/zinc/78/89/39/373788939.db2.gz LRIZHFHCOHLCQT-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP Fc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197893 373794806 /nfs/dbraw/zinc/79/48/06/373794806.db2.gz CCZLYXOVUOWWNI-MRXNPFEDSA-N 2 0 262.372 2.790 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000070170483 374135262 /nfs/dbraw/zinc/13/52/62/374135262.db2.gz QMYVONCEIYIJGH-CQSZACIVSA-N 2 0 292.423 2.573 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000070170866 374134804 /nfs/dbraw/zinc/13/48/04/374134804.db2.gz WUIZCCSNHFSNHI-GFCCVEGCSA-N 2 0 291.420 2.964 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000070171542 374137978 /nfs/dbraw/zinc/13/79/78/374137978.db2.gz DCQONHBJYZBGTI-TZMCWYRMSA-N 2 0 258.365 2.992 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000070173873 374140148 /nfs/dbraw/zinc/14/01/48/374140148.db2.gz DFOGWMPCRQGYCQ-STQMWFEESA-N 2 0 287.382 2.933 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000070174787 374141110 /nfs/dbraw/zinc/14/11/10/374141110.db2.gz VBOKEDNIOBNOCI-JSGCOSHPSA-N 2 0 287.382 2.933 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000070188824 374143392 /nfs/dbraw/zinc/14/33/92/374143392.db2.gz IMBYGWOMKQTETR-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)CN1C1CC1 ZINC000678016281 541936271 /nfs/dbraw/zinc/93/62/71/541936271.db2.gz UBRLJMFTKRXSJN-FMKPAKJESA-N 2 0 280.456 2.797 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000089140659 374873234 /nfs/dbraw/zinc/87/32/34/374873234.db2.gz CLOBHTJGRYGTSJ-SJORKVTESA-N 2 0 287.451 2.546 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000089140595 374873492 /nfs/dbraw/zinc/87/34/92/374873492.db2.gz WQAGBIHXNLRICK-HOCLYGCPSA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089147657 374875485 /nfs/dbraw/zinc/87/54/85/374875485.db2.gz XATZLTBNQNEHGO-OCCSQVGLSA-N 2 0 252.789 2.600 20 0 CFADRP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000088163940 374834643 /nfs/dbraw/zinc/83/46/43/374834643.db2.gz DUYKLNGLVQZJBA-MQVJKMGUSA-N 2 0 274.408 2.800 20 0 CFADRP COCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000088568605 374855481 /nfs/dbraw/zinc/85/54/81/374855481.db2.gz VOUCTCUCQVKSNP-AYHJJNSGSA-N 2 0 288.435 2.938 20 0 CFADRP C[C@@H](c1ccccc1F)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749438 374945155 /nfs/dbraw/zinc/94/51/55/374945155.db2.gz XDBLGPKMMQSUNX-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP COCc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253572 375097297 /nfs/dbraw/zinc/09/72/97/375097297.db2.gz KFWMMCFZLCDAJR-KRWDZBQOSA-N 2 0 276.424 2.607 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092561130 375123577 /nfs/dbraw/zinc/12/35/77/375123577.db2.gz KNQYHWORHVXZCX-ZWKOTPCHSA-N 2 0 295.515 2.820 20 0 CFADRP c1csc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093734972 375305116 /nfs/dbraw/zinc/30/51/16/375305116.db2.gz CCNFDLVHRUQKEX-UHFFFAOYSA-N 2 0 294.464 2.825 20 0 CFADRP Cc1n[nH]cc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093769371 375308191 /nfs/dbraw/zinc/30/81/91/375308191.db2.gz XEKSYAYGCRRFKQ-UHFFFAOYSA-N 2 0 290.455 2.806 20 0 CFADRP CC(C)COCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093513539 375261626 /nfs/dbraw/zinc/26/16/26/375261626.db2.gz XLRCKNGIKUVEGE-CVEARBPZSA-N 2 0 270.461 2.950 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000094950005 375396996 /nfs/dbraw/zinc/39/69/96/375396996.db2.gz JIVHNHKMIOTLEG-ZBFHGGJFSA-N 2 0 264.388 2.784 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000094024630 375335522 /nfs/dbraw/zinc/33/55/22/375335522.db2.gz MPRIUOANYZOUTM-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000094009543 375335547 /nfs/dbraw/zinc/33/55/47/375335547.db2.gz VIRIPPSLCXFBFY-NSHDSACASA-N 2 0 252.789 2.990 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000094009954 375335915 /nfs/dbraw/zinc/33/59/15/375335915.db2.gz HARIKKBSSDARQY-INIZCTEOSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094069883 375338801 /nfs/dbraw/zinc/33/88/01/375338801.db2.gz WQJXRNVRWZNLOT-ZDUSSCGKSA-N 2 0 280.387 2.717 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094341184 375353878 /nfs/dbraw/zinc/35/38/78/375353878.db2.gz KSWAZEOHKNQRIE-PBHICJAKSA-N 2 0 292.423 2.523 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000094874983 375386771 /nfs/dbraw/zinc/38/67/71/375386771.db2.gz ZJXLYRHZUZUALF-RWMBFGLXSA-N 2 0 252.427 2.875 20 0 CFADRP CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095091297 375411417 /nfs/dbraw/zinc/41/14/17/375411417.db2.gz CUFNFIUUYHEXJV-UHFFFAOYSA-N 2 0 258.409 2.994 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2n[nH]c3ccccc32)[C@@H](C)C1 ZINC000678277679 541998204 /nfs/dbraw/zinc/99/82/04/541998204.db2.gz MXDSEENZDHNMGP-SUMWQHHRSA-N 2 0 286.423 2.725 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678301928 542003098 /nfs/dbraw/zinc/00/30/98/542003098.db2.gz GDOYVPKUTQFFCQ-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)C1 ZINC000498354862 247081069 /nfs/dbraw/zinc/08/10/69/247081069.db2.gz RJMCRDHWQJERLB-GXTWGEPZSA-N 2 0 295.496 2.913 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678430204 542026110 /nfs/dbraw/zinc/02/61/10/542026110.db2.gz ZYQIXHQGQPEAGJ-ZBFHGGJFSA-N 2 0 293.455 2.706 20 0 CFADRP Cc1[nH+]ccc(NC2CC[NH+](CC(C)C)CC2)c1Cl ZINC000509042708 247183724 /nfs/dbraw/zinc/18/37/24/247183724.db2.gz WSFPRLHGAMPBIZ-UHFFFAOYSA-N 2 0 281.831 2.998 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000678584387 542044495 /nfs/dbraw/zinc/04/44/95/542044495.db2.gz USJBUMCAAWXEQY-WBMJQRKESA-N 2 0 292.398 2.969 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000104095479 375767300 /nfs/dbraw/zinc/76/73/00/375767300.db2.gz JNJGXKKVANUSDT-MRXNPFEDSA-N 2 0 276.424 2.859 20 0 CFADRP COCC[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726133 375785936 /nfs/dbraw/zinc/78/59/36/375785936.db2.gz VIVHPMVMHHRMTM-UHFFFAOYSA-N 2 0 290.451 2.867 20 0 CFADRP c1csc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000678611744 542054137 /nfs/dbraw/zinc/05/41/37/542054137.db2.gz KIWYFQPZMZXNOM-KBPBESRZSA-N 2 0 264.438 2.897 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000104322890 375778449 /nfs/dbraw/zinc/77/84/49/375778449.db2.gz CHEYDROKUYLXBR-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000111695928 375863554 /nfs/dbraw/zinc/86/35/54/375863554.db2.gz CLIXXDATDDVJSM-ZFWWWQNUSA-N 2 0 269.392 2.794 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000111380848 375841629 /nfs/dbraw/zinc/84/16/29/375841629.db2.gz ZHYYEWIWJFXUGY-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(Cl)cn2)CC1 ZINC000678772048 542067252 /nfs/dbraw/zinc/06/72/52/542067252.db2.gz CSDWBEOYQCVCOM-UHFFFAOYSA-N 2 0 297.830 2.578 20 0 CFADRP Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccn1 ZINC000119263537 376381713 /nfs/dbraw/zinc/38/17/13/376381713.db2.gz ONAAFBOCAHANRV-CYBMUJFWSA-N 2 0 290.411 2.634 20 0 CFADRP CCC(CC)C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000120346499 376597390 /nfs/dbraw/zinc/59/73/90/376597390.db2.gz NZOQTNYGPSWBIZ-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000264312918 190103375 /nfs/dbraw/zinc/10/33/75/190103375.db2.gz VJGVWGNYDJERLP-INIZCTEOSA-N 2 0 289.423 2.561 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCCC[NH+](C)C1CCCCC1 ZINC000120766746 376687247 /nfs/dbraw/zinc/68/72/47/376687247.db2.gz RMSPARHTBLLVKS-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CCOC[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000120775215 376689443 /nfs/dbraw/zinc/68/94/43/376689443.db2.gz KWPUVBGBPCLQCJ-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP CCOC[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000120775365 376689901 /nfs/dbraw/zinc/68/99/01/376689901.db2.gz KWPUVBGBPCLQCJ-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP FC1(F)CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000679072385 542113854 /nfs/dbraw/zinc/11/38/54/542113854.db2.gz UBYINJFBLQTVNU-ZDUSSCGKSA-N 2 0 258.356 2.638 20 0 CFADRP C[C@@H]1C[C@H](Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000679143018 542127137 /nfs/dbraw/zinc/12/71/37/542127137.db2.gz OKJXPWFTUUCOFX-RHSMWYFYSA-N 2 0 275.440 2.685 20 0 CFADRP C[C@H](CCO)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000121334270 376808085 /nfs/dbraw/zinc/80/80/85/376808085.db2.gz LQZQGTVPFLVIGZ-CYBMUJFWSA-N 2 0 296.842 2.665 20 0 CFADRP CCn1cc([C@H](C)[NH2+]CCC2CC[NH+](CC)CC2)cn1 ZINC000121750534 376898574 /nfs/dbraw/zinc/89/85/74/376898574.db2.gz MFCJBCNYDHDXNJ-AWEZNQCLSA-N 2 0 278.444 2.676 20 0 CFADRP CCOC1CC([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000124452352 377051751 /nfs/dbraw/zinc/05/17/51/377051751.db2.gz XMGCYGFGZTVHHT-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc2C1 ZINC000124001316 377007467 /nfs/dbraw/zinc/00/74/67/377007467.db2.gz LOBISQASZCZISR-QZTJIDSGSA-N 2 0 272.436 2.960 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2n1 ZINC000124895102 377100322 /nfs/dbraw/zinc/10/03/22/377100322.db2.gz CKDATGMOWGYRPL-BBRMVZONSA-N 2 0 299.418 2.673 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125265144 377136146 /nfs/dbraw/zinc/13/61/46/377136146.db2.gz ALLBJIXBBGJXJI-YCPHGPKFSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cncs1 ZINC000125340680 377146166 /nfs/dbraw/zinc/14/61/66/377146166.db2.gz MZJFQMDPBXNFTF-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125887101 377198352 /nfs/dbraw/zinc/19/83/52/377198352.db2.gz ZSVMIWJVYYMHFB-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP CCn1cc([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125879383 377198729 /nfs/dbraw/zinc/19/87/29/377198729.db2.gz SSGUKYUTMNRBRN-CABCVRRESA-N 2 0 278.444 2.674 20 0 CFADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CCOCC1 ZINC000126023356 377208485 /nfs/dbraw/zinc/20/84/85/377208485.db2.gz NIKLEZREIFLLRY-HIFRSBDPSA-N 2 0 270.461 2.758 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000126215313 377216707 /nfs/dbraw/zinc/21/67/07/377216707.db2.gz OUVVUMALHXHMTG-MRXNPFEDSA-N 2 0 292.398 2.971 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000127203511 377269252 /nfs/dbraw/zinc/26/92/52/377269252.db2.gz KCXJCKGIHWHINU-ZBFHGGJFSA-N 2 0 258.409 2.791 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000571731648 383720824 /nfs/dbraw/zinc/72/08/24/383720824.db2.gz BZFJOKANDQTRNP-LXTVHRRPSA-N 2 0 270.461 2.898 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129247434 377402787 /nfs/dbraw/zinc/40/27/87/377402787.db2.gz JCFIBXQMKZDEKU-HUUCEWRRSA-N 2 0 292.398 2.541 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)CC2 ZINC000129610949 377452262 /nfs/dbraw/zinc/45/22/62/377452262.db2.gz GEHMGZUIVNYNMF-IAOVAPTHSA-N 2 0 288.435 2.625 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000571731649 383720986 /nfs/dbraw/zinc/72/09/86/383720986.db2.gz BZFJOKANDQTRNP-XGUBFFRZSA-N 2 0 270.461 2.898 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000129874600 377483504 /nfs/dbraw/zinc/48/35/04/377483504.db2.gz FYEPIDWTWSIMHM-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP COC1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000129926246 377489522 /nfs/dbraw/zinc/48/95/22/377489522.db2.gz AMIBAWCFRMKTGB-ADKAHSJRSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000679334324 542171196 /nfs/dbraw/zinc/17/11/96/542171196.db2.gz PDCUTBKWPXQRLG-HZPDHXFCSA-N 2 0 270.461 2.639 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000130327260 377539503 /nfs/dbraw/zinc/53/95/03/377539503.db2.gz AQXSIPXQGJPRIK-WBMJQRKESA-N 2 0 282.378 2.827 20 0 CFADRP C[C@H](CCCCO)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000679343353 542173523 /nfs/dbraw/zinc/17/35/23/542173523.db2.gz NQCZJXBVGYMGCR-CYBMUJFWSA-N 2 0 282.403 2.528 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc(O)c1 ZINC000130643167 377588228 /nfs/dbraw/zinc/58/82/28/377588228.db2.gz IXEVLXAXQSODBJ-SGMGOOAPSA-N 2 0 260.381 2.668 20 0 CFADRP FC(F)(F)CCN1CCC([NH2+]C2CC=CC2)CC1 ZINC000679574073 542209863 /nfs/dbraw/zinc/20/98/63/542209863.db2.gz DSKJKBMCFYVMJF-UHFFFAOYSA-N 2 0 262.319 2.711 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)N(C)C1CC1 ZINC000130827227 377617758 /nfs/dbraw/zinc/61/77/58/377617758.db2.gz RNQAERZFHQXHIX-XJKSGUPXSA-N 2 0 258.409 2.616 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1F ZINC000131903856 377776596 /nfs/dbraw/zinc/77/65/96/377776596.db2.gz QSJWVSDVOSALBB-VIFPVBQESA-N 2 0 289.192 2.978 20 0 CFADRP CCSCC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000132292310 377823380 /nfs/dbraw/zinc/82/33/80/377823380.db2.gz LEXMXUBJXYQAQN-ZDUSSCGKSA-N 2 0 258.475 2.981 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000132305356 377824708 /nfs/dbraw/zinc/82/47/08/377824708.db2.gz UQGSQVFLTCLFGW-DJIMGWMZSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000451847120 383722663 /nfs/dbraw/zinc/72/26/63/383722663.db2.gz SFDFRONPZZTINB-IRXDYDNUSA-N 2 0 281.488 2.665 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000131990409 377787914 /nfs/dbraw/zinc/78/79/14/377787914.db2.gz GUMZGEKALWXFHJ-GFCCVEGCSA-N 2 0 272.314 2.795 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000133378708 377924684 /nfs/dbraw/zinc/92/46/84/377924684.db2.gz LDJWCONABGUHMK-MRXNPFEDSA-N 2 0 264.413 2.891 20 0 CFADRP COc1ccc2cc(C[N@H+](C)CCC[NH3+])ccc2c1 ZINC000133715920 377951767 /nfs/dbraw/zinc/95/17/67/377951767.db2.gz BWVYSKCNOWOYKA-UHFFFAOYSA-N 2 0 258.365 2.629 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133089731 377901715 /nfs/dbraw/zinc/90/17/15/377901715.db2.gz RNOSDWJWFOTDHF-DVOMOZLQSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133089328 377902276 /nfs/dbraw/zinc/90/22/76/377902276.db2.gz RNOSDWJWFOTDHF-WWGRRREGSA-N 2 0 280.387 2.523 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000134411884 378011589 /nfs/dbraw/zinc/01/15/89/378011589.db2.gz RWFUNYOFMWSCLR-XJKSGUPXSA-N 2 0 262.397 2.515 20 0 CFADRP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000451847114 383723898 /nfs/dbraw/zinc/72/38/98/383723898.db2.gz SFDFRONPZZTINB-IAGOWNOFSA-N 2 0 281.488 2.665 20 0 CFADRP c1cc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000134907796 378061746 /nfs/dbraw/zinc/06/17/46/378061746.db2.gz NSQNRNMKAYTQRF-AEFFLSMTSA-N 2 0 285.435 2.573 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529537390 383724931 /nfs/dbraw/zinc/72/49/31/383724931.db2.gz FIODANZNXNCRGK-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000136135903 378182237 /nfs/dbraw/zinc/18/22/37/378182237.db2.gz LQMHBLKTAXPJDG-ZDUSSCGKSA-N 2 0 250.386 2.692 20 0 CFADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150822105 378274121 /nfs/dbraw/zinc/27/41/21/378274121.db2.gz JQUQJJSEVNOYPD-QGZVFWFLSA-N 2 0 258.409 2.647 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CN1C1CC1 ZINC000151085391 378293252 /nfs/dbraw/zinc/29/32/52/378293252.db2.gz BCUDYJKXDHYLTE-GXTWGEPZSA-N 2 0 269.392 2.883 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@H](C)C1CCCCC1 ZINC000151840095 378363602 /nfs/dbraw/zinc/36/36/02/378363602.db2.gz NVHSJXALRPUECA-JKSUJKDBSA-N 2 0 296.499 2.885 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000151609492 378341597 /nfs/dbraw/zinc/34/15/97/378341597.db2.gz SXGMBUAYSZTANY-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000152843406 378451541 /nfs/dbraw/zinc/45/15/41/378451541.db2.gz RWEDKWBFQCGXIC-PBHICJAKSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1cnn(CCCCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152490226 378420839 /nfs/dbraw/zinc/42/08/39/378420839.db2.gz GUNUEEZDZMQADT-KRWDZBQOSA-N 2 0 292.471 2.635 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000152620295 378432933 /nfs/dbraw/zinc/43/29/33/378432933.db2.gz BWLZXOJLMBOKJZ-BRWVUGGUSA-N 2 0 282.472 2.925 20 0 CFADRP c1ccc2c(c1)CC([NH2+]CC1CC[NH+](C3CC3)CC1)C2 ZINC000278378135 193951627 /nfs/dbraw/zinc/95/16/27/193951627.db2.gz DYYMDLDOADZULZ-UHFFFAOYSA-N 2 0 270.420 2.618 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000153407508 378490137 /nfs/dbraw/zinc/49/01/37/378490137.db2.gz SOKISCXAPISPPD-BZSNNMDCSA-N 2 0 295.515 2.673 20 0 CFADRP CC1CC[NH+](CCN2CCC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000153871461 378517858 /nfs/dbraw/zinc/51/78/58/378517858.db2.gz YNCZELKHGGKBER-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154365228 378561501 /nfs/dbraw/zinc/56/15/01/378561501.db2.gz WVCFGNLKNGLNLG-KRWDZBQOSA-N 2 0 281.488 2.739 20 0 CFADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000154533928 378576614 /nfs/dbraw/zinc/57/66/14/378576614.db2.gz ZIEGPPSCFCTDQC-BHYGNILZSA-N 2 0 282.472 2.780 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000155174758 378614777 /nfs/dbraw/zinc/61/47/77/378614777.db2.gz CZBFZVIJFMQQGY-GOEBONIOSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000155308950 378622037 /nfs/dbraw/zinc/62/20/37/378622037.db2.gz ZGACOBCYMJCSJJ-BBRMVZONSA-N 2 0 276.399 2.787 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000157984542 378662301 /nfs/dbraw/zinc/66/23/01/378662301.db2.gz QCBXDYOQEUQZNJ-MQYQWHSLSA-N 2 0 256.459 2.590 20 0 CFADRP COc1cccc(CC[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000158992171 378679583 /nfs/dbraw/zinc/67/95/83/378679583.db2.gz ZDACOHVZRUDQGI-UHFFFAOYSA-N 2 0 276.424 2.700 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC000529566118 383730681 /nfs/dbraw/zinc/73/06/81/383730681.db2.gz AGMMYDLLXVGADL-CQSZACIVSA-N 2 0 293.842 2.899 20 0 CFADRP Fc1cc(F)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278474336 194001271 /nfs/dbraw/zinc/00/12/71/194001271.db2.gz IEGKIBDUBCEXQG-UHFFFAOYSA-N 2 0 280.362 2.929 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]Cc2cnc3ccc(C)cn23)cc1 ZINC000278505714 194016976 /nfs/dbraw/zinc/01/69/76/194016976.db2.gz OVILJPGPTRLMFN-QGZVFWFLSA-N 2 0 295.386 2.774 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)n1 ZINC000334191743 378905046 /nfs/dbraw/zinc/90/50/46/378905046.db2.gz IPTSLYBTXXKGMG-CVEARBPZSA-N 2 0 259.397 2.527 20 0 CFADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000162578974 378919441 /nfs/dbraw/zinc/91/94/41/378919441.db2.gz FOLIYWCSSMDUDE-YIYPIFLZSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000162906159 378941451 /nfs/dbraw/zinc/94/14/51/378941451.db2.gz WHSAPZWXLMKCBO-MAUKXSAKSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(CO)c1 ZINC000278562703 194045772 /nfs/dbraw/zinc/04/57/72/194045772.db2.gz WRHLLSCFQIJQCA-AWEZNQCLSA-N 2 0 288.435 2.704 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423554935 296285357 /nfs/dbraw/zinc/28/53/57/296285357.db2.gz XJFHUKIEDSIXJA-QMIVOQANSA-N 2 0 250.430 2.789 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000335265948 378989747 /nfs/dbraw/zinc/98/97/47/378989747.db2.gz YDCFRWFMHODCEZ-CJNGLKHVSA-N 2 0 284.407 2.554 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CCCNc2ccccn2)c(C)n1 ZINC000163810707 378991806 /nfs/dbraw/zinc/99/18/06/378991806.db2.gz XCXGRJOQSWCFNF-LBPRGKRZSA-N 2 0 285.395 2.641 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335266574 378992087 /nfs/dbraw/zinc/99/20/87/378992087.db2.gz AKFDMPXJKTWXNK-IYBDPMFKSA-N 2 0 296.418 2.508 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)s1 ZINC000335269723 378998224 /nfs/dbraw/zinc/99/82/24/378998224.db2.gz PFSNLJYCCYEEMT-OKILXGFUSA-N 2 0 264.438 2.796 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(F)c(F)c1)CC[NH2+]CC2 ZINC000335278647 379016169 /nfs/dbraw/zinc/01/61/69/379016169.db2.gz LEVNESYKVGEJAL-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP [NH3+][C@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000335291065 379034442 /nfs/dbraw/zinc/03/44/42/379034442.db2.gz BMBYMYODFUIRQK-INIZCTEOSA-N 2 0 267.376 2.672 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000165931396 379043806 /nfs/dbraw/zinc/04/38/06/379043806.db2.gz UHKDGMJXLPQNNQ-NVXWUHKLSA-N 2 0 294.414 2.759 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000165956321 379045692 /nfs/dbraw/zinc/04/56/92/379045692.db2.gz XNIOIKBRWSLRAW-WBVHZDCISA-N 2 0 276.424 2.696 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1 ZINC000165958688 379046841 /nfs/dbraw/zinc/04/68/41/379046841.db2.gz AGJOAXTXXRUKFG-GOEBONIOSA-N 2 0 264.413 2.694 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335424736 379272737 /nfs/dbraw/zinc/27/27/37/379272737.db2.gz HGEOPVFFKLRBHI-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335424735 379272755 /nfs/dbraw/zinc/27/27/55/379272755.db2.gz HGEOPVFFKLRBHI-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP Clc1ccccc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000334449430 379319653 /nfs/dbraw/zinc/31/96/53/379319653.db2.gz QBOUUVORVOOZPO-NSHDSACASA-N 2 0 261.756 2.710 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000335441497 379302684 /nfs/dbraw/zinc/30/26/84/379302684.db2.gz CJTXFXXJNQYEFD-SJCJKPOMSA-N 2 0 295.386 2.532 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335482253 379377175 /nfs/dbraw/zinc/37/71/75/379377175.db2.gz CVQFBPPRWBQMPT-IAGOWNOFSA-N 2 0 258.409 2.838 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000335499471 379406128 /nfs/dbraw/zinc/40/61/28/379406128.db2.gz GPEBJSUAEKEGOG-MEDUHNTESA-N 2 0 260.356 2.568 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000335505822 379418740 /nfs/dbraw/zinc/41/87/40/379418740.db2.gz SXRJJHISUBCLEA-GFCCVEGCSA-N 2 0 282.309 2.601 20 0 CFADRP Clc1cccc(CN2CCC(c3ncc[nH]3)CC2)n1 ZINC000266760509 190279206 /nfs/dbraw/zinc/27/92/06/190279206.db2.gz PYYVLJUHAMZGTG-UHFFFAOYSA-N 2 0 276.771 2.838 20 0 CFADRP CC(C)c1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000334554332 379516363 /nfs/dbraw/zinc/51/63/63/379516363.db2.gz PAUDDGHRORPQRI-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP Cc1cc(C)c(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(C)n1 ZINC000335588301 379568309 /nfs/dbraw/zinc/56/83/09/379568309.db2.gz AZDMZCBCUJEUON-BETUJISGSA-N 2 0 290.411 2.563 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000335635182 379637102 /nfs/dbraw/zinc/63/71/02/379637102.db2.gz QOCRMEGQGSNIIJ-KGLIPLIRSA-N 2 0 279.453 2.581 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(OC)cc2)C1 ZINC000267072964 190301738 /nfs/dbraw/zinc/30/17/38/190301738.db2.gz LHZITTYGLZLZPO-QGZVFWFLSA-N 2 0 290.451 2.901 20 0 CFADRP Cc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172650829 379615240 /nfs/dbraw/zinc/61/52/40/379615240.db2.gz GSCLIIUIPYOUOY-MRXNPFEDSA-N 2 0 258.409 2.913 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335665532 379683251 /nfs/dbraw/zinc/68/32/51/379683251.db2.gz KVBDWIDAJPOINM-SJORKVTESA-N 2 0 292.467 2.896 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000334644078 379694637 /nfs/dbraw/zinc/69/46/37/379694637.db2.gz AYUOVSQXOLHARZ-LLVKDONJSA-N 2 0 279.746 2.849 20 0 CFADRP Cc1ccn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cnc2c1 ZINC000334629080 379659967 /nfs/dbraw/zinc/65/99/67/379659967.db2.gz SDFCFXAPAFFCSL-KRWDZBQOSA-N 2 0 298.434 2.607 20 0 CFADRP C[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCC[NH2+]CC1 ZINC000334664379 379731455 /nfs/dbraw/zinc/73/14/55/379731455.db2.gz XAQRBBRPASDXII-HNNXBMFYSA-N 2 0 285.391 2.514 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cnc[nH]1 ZINC000173859653 379788961 /nfs/dbraw/zinc/78/89/61/379788961.db2.gz DTUTXOIDBDMBHR-HNNXBMFYSA-N 2 0 261.344 2.906 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000173895154 379795521 /nfs/dbraw/zinc/79/55/21/379795521.db2.gz HYEQCFCRDBJJFT-MRXNPFEDSA-N 2 0 298.434 2.646 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000173907287 379797373 /nfs/dbraw/zinc/79/73/73/379797373.db2.gz RCXBOPJQVDDGDO-LBPRGKRZSA-N 2 0 268.351 2.738 20 0 CFADRP c1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000267465916 190332659 /nfs/dbraw/zinc/33/26/59/190332659.db2.gz WKTKUVDWTNJAAT-AWEZNQCLSA-N 2 0 299.374 2.561 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]CC2CCCCC2)CCCO1 ZINC000432349420 383739927 /nfs/dbraw/zinc/73/99/27/383739927.db2.gz XMGGDPSTDPJTBP-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC2(CCC2)CC1 ZINC000334732880 379844750 /nfs/dbraw/zinc/84/47/50/379844750.db2.gz YZIAQDDHGXFEJN-AWEZNQCLSA-N 2 0 268.470 2.832 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(CO)o1 ZINC000174272551 379856131 /nfs/dbraw/zinc/85/61/31/379856131.db2.gz JRXPRGPCFMEWHS-AWEZNQCLSA-N 2 0 280.412 2.516 20 0 CFADRP C[C@@H]1C[C@H](NCc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000174515295 379901150 /nfs/dbraw/zinc/90/11/50/379901150.db2.gz LIKSPENJVVRNTO-VXGBXAGGSA-N 2 0 291.420 2.975 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000334869643 379936029 /nfs/dbraw/zinc/93/60/29/379936029.db2.gz RESAULFVKSKHEH-KBPBESRZSA-N 2 0 250.411 2.712 20 0 CFADRP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000334994972 379952760 /nfs/dbraw/zinc/95/27/60/379952760.db2.gz XFJMIBREBLKUKG-KBPBESRZSA-N 2 0 272.383 2.887 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)CC[N@@H+]1C ZINC000335011002 379955900 /nfs/dbraw/zinc/95/59/00/379955900.db2.gz DJLHJHNZCJLHFO-ZFWWWQNUSA-N 2 0 273.424 2.617 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335011016 379956249 /nfs/dbraw/zinc/95/62/49/379956249.db2.gz DYGJOEXUQKAIFJ-NVXWUHKLSA-N 2 0 273.424 2.794 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335017583 379957893 /nfs/dbraw/zinc/95/78/93/379957893.db2.gz ZPOWAUMMBVUNPT-SUMWQHHRSA-N 2 0 258.409 2.651 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000335024173 379959651 /nfs/dbraw/zinc/95/96/51/379959651.db2.gz XJGBEMBZGSAHHS-ZBFHGGJFSA-N 2 0 262.372 2.935 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000335177580 379989580 /nfs/dbraw/zinc/98/95/80/379989580.db2.gz ISACSGGVSDLICI-CBINBANVSA-N 2 0 284.325 2.951 20 0 CFADRP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)ccn1 ZINC000175085850 379991960 /nfs/dbraw/zinc/99/19/60/379991960.db2.gz QTKSETKWMUKPBU-CYBMUJFWSA-N 2 0 261.369 2.593 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1C ZINC000335868282 380022892 /nfs/dbraw/zinc/02/28/92/380022892.db2.gz XHVNOQVRJOZGRL-CYBMUJFWSA-N 2 0 270.380 2.950 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335217358 380024770 /nfs/dbraw/zinc/02/47/70/380024770.db2.gz MMCOPDCDOPHCFO-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP Cc1ncccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335871746 380028454 /nfs/dbraw/zinc/02/84/54/380028454.db2.gz NVUKBRFWVSWDII-QGZVFWFLSA-N 2 0 273.424 2.554 20 0 CFADRP [NH3+]C1CCN(Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000335885118 380050434 /nfs/dbraw/zinc/05/04/34/380050434.db2.gz NVIRLHFQPGRJEW-UHFFFAOYSA-N 2 0 291.395 2.872 20 0 CFADRP c1c(CN2CCC[C@]3(CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000335908847 380089600 /nfs/dbraw/zinc/08/96/00/380089600.db2.gz DBPHCFLINGKHLP-GOSISDBHSA-N 2 0 296.418 2.652 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000335240486 380064509 /nfs/dbraw/zinc/06/45/09/380064509.db2.gz OZYXBRGKVFLFOP-ZWKOTPCHSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000335917808 380104571 /nfs/dbraw/zinc/10/45/71/380104571.db2.gz PMDLANPRQYUQQL-KBPBESRZSA-N 2 0 279.453 2.676 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000335917810 380105306 /nfs/dbraw/zinc/10/53/06/380105306.db2.gz PMDLANPRQYUQQL-UONOGXRCSA-N 2 0 279.453 2.676 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCCn3nccc32)c(C)n1 ZINC000640220018 383743371 /nfs/dbraw/zinc/74/33/71/383743371.db2.gz JOVOSIJSPGOWPV-OAHLLOKOSA-N 2 0 270.380 2.828 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000336019032 380244760 /nfs/dbraw/zinc/24/47/60/380244760.db2.gz UIEDBQXWILJVHJ-HNNXBMFYSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000176498057 380245531 /nfs/dbraw/zinc/24/55/31/380245531.db2.gz OIQCRFQCTHWMRY-MWTISTBLSA-N 2 0 286.419 2.731 20 0 CFADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(C)c1 ZINC000268397416 190399891 /nfs/dbraw/zinc/39/98/91/190399891.db2.gz APYPHQLRXMEHJA-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000336005398 380224167 /nfs/dbraw/zinc/22/41/67/380224167.db2.gz YHJCKRDQVOOKTG-CYBMUJFWSA-N 2 0 259.328 2.504 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000177222126 380318620 /nfs/dbraw/zinc/31/86/20/380318620.db2.gz VQYSVFWXGFWYMF-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000336229016 380291078 /nfs/dbraw/zinc/29/10/78/380291078.db2.gz PIKYUIDRAFQLLB-CYBMUJFWSA-N 2 0 296.336 2.943 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000177051751 380298417 /nfs/dbraw/zinc/29/84/17/380298417.db2.gz NXSSSUBMGJSGAY-UHFFFAOYSA-N 2 0 284.444 2.524 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336506016 380379155 /nfs/dbraw/zinc/37/91/55/380379155.db2.gz LTMNWFQYMCAXOH-ZDUSSCGKSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000336440391 380347262 /nfs/dbraw/zinc/34/72/62/380347262.db2.gz VZELGEMKWVXTDB-AAEUAGOBSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1C ZINC000178501483 380457116 /nfs/dbraw/zinc/45/71/16/380457116.db2.gz BZNOOWLWNACEGW-CRAIPNDOSA-N 2 0 298.434 2.504 20 0 CFADRP C[C@H](O)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279093047 194281243 /nfs/dbraw/zinc/28/12/43/194281243.db2.gz NOUKEPHSDZEKJV-XYJFISCASA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000178119500 380410698 /nfs/dbraw/zinc/41/06/98/380410698.db2.gz HFHIRDQQKOVUAN-GJZGRUSLSA-N 2 0 298.471 2.961 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)CCCOC)CC1 ZINC000178117652 380411454 /nfs/dbraw/zinc/41/14/54/380411454.db2.gz MWSYZOWDHUZGEW-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000178158048 380415876 /nfs/dbraw/zinc/41/58/76/380415876.db2.gz ANENJTWMFGROGZ-MAUKXSAKSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cs1 ZINC000336574832 380489924 /nfs/dbraw/zinc/48/99/24/380489924.db2.gz DMHCLHWCBIAURX-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc2c1OCO2 ZINC000178972193 380496626 /nfs/dbraw/zinc/49/66/26/380496626.db2.gz LAGCHZSUCFVWQO-HNNXBMFYSA-N 2 0 288.391 2.552 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976980 380497573 /nfs/dbraw/zinc/49/75/73/380497573.db2.gz WIAINPNRNGKAJF-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000178974745 380499008 /nfs/dbraw/zinc/49/90/08/380499008.db2.gz XCGWBCQOTLBCJJ-SUMWQHHRSA-N 2 0 292.398 2.587 20 0 CFADRP CC(C)[NH+](CCOCC[N@@H+](C(C)C)C1CC1)C1CC1 ZINC000178593195 380468070 /nfs/dbraw/zinc/46/80/70/380468070.db2.gz PBUVBDHNMNGQRS-UHFFFAOYSA-N 2 0 268.445 2.749 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1C ZINC000336605109 380535329 /nfs/dbraw/zinc/53/53/29/380535329.db2.gz MJHLBRIUACEAID-LBPRGKRZSA-N 2 0 256.353 2.560 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422881053 296310975 /nfs/dbraw/zinc/31/09/75/296310975.db2.gz NFBSXAJFMSFLOZ-KLAILNCOSA-N 3 0 281.488 2.748 20 0 CFADRP COC1CC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336657347 380583864 /nfs/dbraw/zinc/58/38/64/380583864.db2.gz QFFKIEFNKSQSKR-WSDZMALLSA-N 2 0 288.435 2.664 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654528 380584214 /nfs/dbraw/zinc/58/42/14/380584214.db2.gz BKUSOPXPTKAOSC-QZTJIDSGSA-N 2 0 289.467 2.566 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336786114 380631309 /nfs/dbraw/zinc/63/13/09/380631309.db2.gz HAPNXTMBQFUBJD-UONOGXRCSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]1CC[N@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000336720310 380612271 /nfs/dbraw/zinc/61/22/71/380612271.db2.gz SWJGZSUWBSOZDX-WBVHZDCISA-N 2 0 276.424 2.510 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000336807880 380666187 /nfs/dbraw/zinc/66/61/87/380666187.db2.gz NODVNDQCCPZXJA-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc2cccnc21 ZINC000336814682 380676211 /nfs/dbraw/zinc/67/62/11/380676211.db2.gz GDXFQIHDYPCBAF-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1 ZINC000180891501 380709935 /nfs/dbraw/zinc/70/99/35/380709935.db2.gz GKGOVWIZTYJEOE-RRFJBIMHSA-N 2 0 262.397 2.526 20 0 CFADRP [NH3+]CCCOC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000336819533 380683617 /nfs/dbraw/zinc/68/36/17/380683617.db2.gz OSLCIRCENLKKCP-CYBMUJFWSA-N 2 0 290.398 2.642 20 0 CFADRP C[N@@H+]1CCN(Cc2cccc3nccn32)C2(CCCCC2)C1 ZINC000180672860 380688234 /nfs/dbraw/zinc/68/82/34/380688234.db2.gz WDKNXYSWAZDGOR-UHFFFAOYSA-N 2 0 298.434 2.785 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000181392890 380785507 /nfs/dbraw/zinc/78/55/07/380785507.db2.gz RCHAFGRGLWUIBB-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000341174435 380816257 /nfs/dbraw/zinc/81/62/57/380816257.db2.gz QCFYNJKXIPHROO-UHFFFAOYSA-N 2 0 294.414 2.868 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1csc(C)c1 ZINC000295384894 380821059 /nfs/dbraw/zinc/82/10/59/380821059.db2.gz KUJWIYXGTNEARS-CQSZACIVSA-N 2 0 270.442 2.503 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346999270 380864114 /nfs/dbraw/zinc/86/41/14/380864114.db2.gz FXJISJDCIPWOAI-UKRRQHHQSA-N 2 0 284.407 2.636 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000400986824 380866433 /nfs/dbraw/zinc/86/64/33/380866433.db2.gz ZNFJGXLRDBDKRI-CDGCEXEKSA-N 2 0 250.411 2.787 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401003906 380867090 /nfs/dbraw/zinc/86/70/90/380867090.db2.gz ILVMBVZQEBJVSS-XPCVCDNBSA-N 2 0 260.381 2.635 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C ZINC000401045113 380869466 /nfs/dbraw/zinc/86/94/66/380869466.db2.gz VJMZGVZELUOXIL-FGZZBPHYSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000341265290 380880674 /nfs/dbraw/zinc/88/06/74/380880674.db2.gz ADLMKNZFPFOOAW-MRXNPFEDSA-N 2 0 282.472 2.946 20 0 CFADRP Cc1scc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000399980643 380850456 /nfs/dbraw/zinc/85/04/56/380850456.db2.gz GRQYKOXTFMQRPW-OCCSQVGLSA-N 2 0 252.427 2.972 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000367892322 380851426 /nfs/dbraw/zinc/85/14/26/380851426.db2.gz PQQVVVSPASKZDI-MRXNPFEDSA-N 2 0 270.420 2.887 20 0 CFADRP Cc1ccccc1CC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000346989651 380851964 /nfs/dbraw/zinc/85/19/64/380851964.db2.gz SBUWYOLEIZUWMT-HNNXBMFYSA-N 2 0 260.425 2.905 20 0 CFADRP Cc1ccccc1CC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000346989652 380852686 /nfs/dbraw/zinc/85/26/86/380852686.db2.gz SBUWYOLEIZUWMT-OAHLLOKOSA-N 2 0 260.425 2.905 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000295442702 380857378 /nfs/dbraw/zinc/85/73/78/380857378.db2.gz PNRXDCAXNWFPAX-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000347049814 380905840 /nfs/dbraw/zinc/90/58/40/380905840.db2.gz JCVIVVCCYZOQNM-OAHLLOKOSA-N 2 0 298.471 2.630 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@]2(C)OCCc3sccc32)CC1 ZINC000368082990 380917069 /nfs/dbraw/zinc/91/70/69/380917069.db2.gz HURZYIRTKMOETN-INIZCTEOSA-N 2 0 294.464 2.610 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(Cc2cnc3ccc(C)cn23)C[C@H]1C ZINC000353876857 380921501 /nfs/dbraw/zinc/92/15/01/380921501.db2.gz NZWARKSPKMIYGF-CABCVRRESA-N 2 0 286.423 2.557 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1C(C)(C)C1(C)C ZINC000353929884 380963379 /nfs/dbraw/zinc/96/33/79/380963379.db2.gz NNASIXNVVRZBBB-CQSZACIVSA-N 2 0 295.515 2.673 20 0 CFADRP C[NH+](CC1(C[N@@H+](C)C2CCCC2)COC1)C1CCCC1 ZINC000182024607 380966904 /nfs/dbraw/zinc/96/69/04/380966904.db2.gz IJRGLQLLSHGWKY-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000353935895 380970000 /nfs/dbraw/zinc/97/00/00/380970000.db2.gz XTRCBUHXNKPMMD-UHFFFAOYSA-N 2 0 294.414 2.590 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000347170005 380981756 /nfs/dbraw/zinc/98/17/56/380981756.db2.gz MTHWYCVJABQBAO-YWVDXFKGSA-N 2 0 262.372 2.898 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000368291978 380984135 /nfs/dbraw/zinc/98/41/35/380984135.db2.gz SRSTXIHQRWJMEJ-WVYJYSKYSA-N 2 0 288.435 2.869 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000347114187 380946761 /nfs/dbraw/zinc/94/67/61/380946761.db2.gz SNKBEVAABRTRFI-RISCZKNCSA-N 2 0 295.452 2.554 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347223053 381013535 /nfs/dbraw/zinc/01/35/35/381013535.db2.gz UWBOAPMNYZRCKC-XVEJUIQISA-N 2 0 262.372 2.898 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC1(C[N@H+]2[C@H](C)CC[C@@H]2C)COC1 ZINC000182229970 381031545 /nfs/dbraw/zinc/03/15/45/381031545.db2.gz DBWJWHZVSPCOMB-FPCVCCKLSA-N 2 0 280.456 2.749 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000347184232 380989446 /nfs/dbraw/zinc/98/94/46/380989446.db2.gz HBRQCKVTUDJIHO-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000354080529 381067344 /nfs/dbraw/zinc/06/73/44/381067344.db2.gz AFZRMAMPEQMGQD-GOSISDBHSA-N 2 0 290.451 2.928 20 0 CFADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000358720065 381034506 /nfs/dbraw/zinc/03/45/06/381034506.db2.gz UUGUYQAVVKKLMG-QGZVFWFLSA-N 2 0 280.456 2.534 20 0 CFADRP O[C@@H](CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000289670203 381093935 /nfs/dbraw/zinc/09/39/35/381093935.db2.gz DDFQLOQZLLJUMQ-HOTGVXAUSA-N 2 0 285.391 2.713 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000354124729 381093982 /nfs/dbraw/zinc/09/39/82/381093982.db2.gz OGFVPGAOMRGHMI-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCC(C)(C)C3)C2)CC1 ZINC000368650411 381095887 /nfs/dbraw/zinc/09/58/87/381095887.db2.gz PWFXPGZLUUUSLR-DLBZAZTESA-N 2 0 293.499 2.665 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CCN(CC)C(C)C)CC1 ZINC000354148603 381107852 /nfs/dbraw/zinc/10/78/52/381107852.db2.gz YDHJJVYTCSPTIM-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000354147654 381108028 /nfs/dbraw/zinc/10/80/28/381108028.db2.gz UUIVTIIPAKVQMU-IKGGRYGDSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCOC1(C)C ZINC000295840076 381110351 /nfs/dbraw/zinc/11/03/51/381110351.db2.gz ALXNJUMZXUFXPH-HYVNUMGLSA-N 2 0 288.435 2.664 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182601491 381117653 /nfs/dbraw/zinc/11/76/53/381117653.db2.gz YIFUTBYEQGRCNI-CQSZACIVSA-N 2 0 298.471 2.961 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CN1C1CC1 ZINC000368719923 381118676 /nfs/dbraw/zinc/11/86/76/381118676.db2.gz TVIOIJLWFLOALY-HLLBOEOZSA-N 2 0 299.462 2.510 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@H]2CCCCO2)CC1 ZINC000347394058 381120711 /nfs/dbraw/zinc/12/07/11/381120711.db2.gz ONNIIKPRBWKTKT-MRXNPFEDSA-N 2 0 268.445 2.750 20 0 CFADRP CCOC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354212072 381143954 /nfs/dbraw/zinc/14/39/54/381143954.db2.gz ZHMJMVSPKUMADE-HUUCEWRRSA-N 2 0 284.444 2.524 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCn2cccn2)C[C@H]1C ZINC000354219677 381146041 /nfs/dbraw/zinc/14/60/41/381146041.db2.gz DCQREIOVQACING-IAGOWNOFSA-N 2 0 292.471 2.858 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295885968 381135814 /nfs/dbraw/zinc/13/58/14/381135814.db2.gz HWQAVSBGYLMYFF-YPMHNXCESA-N 2 0 279.815 2.796 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C[C@H]1n1ccnc1 ZINC000347489798 381182649 /nfs/dbraw/zinc/18/26/49/381182649.db2.gz OCUAFCADNVWVIK-BZUAXINKSA-N 2 0 277.412 2.725 20 0 CFADRP CO[C@H]1CC[N@H+](CCCc2cnccc2C)[C@H](C)C1 ZINC000289853048 381187239 /nfs/dbraw/zinc/18/72/39/381187239.db2.gz VLUZDSUZOVSFMV-ZBFHGGJFSA-N 2 0 262.397 2.822 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000369225918 381218102 /nfs/dbraw/zinc/21/81/02/381218102.db2.gz RORKKHLRMVXBQR-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000369154034 381203666 /nfs/dbraw/zinc/20/36/66/381203666.db2.gz GHLMPDTULDQUMM-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CCCCC[N@H+](CCO)CCCc1cnccc1C ZINC000347635547 381267700 /nfs/dbraw/zinc/26/77/00/381267700.db2.gz HEOOBJJYLNXVOO-UHFFFAOYSA-N 2 0 264.413 2.807 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000354382174 381235676 /nfs/dbraw/zinc/23/56/76/381235676.db2.gz GPWWEUHLQIKRHC-KZNAEPCWSA-N 2 0 293.499 2.810 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000289961808 381236932 /nfs/dbraw/zinc/23/69/32/381236932.db2.gz WZGXAAGXQMGNRK-GOEBONIOSA-N 2 0 288.435 2.799 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cn[nH]c1 ZINC000296173261 381286674 /nfs/dbraw/zinc/28/66/74/381286674.db2.gz XTHIRUBMDXTZBM-CQSZACIVSA-N 2 0 284.407 2.856 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000359225894 381297507 /nfs/dbraw/zinc/29/75/07/381297507.db2.gz VCKUXQOHSQVVBA-CRAIPNDOSA-N 2 0 288.435 2.838 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000290206034 381340520 /nfs/dbraw/zinc/34/05/20/381340520.db2.gz PNHOPBUSTOCPFD-CGTJXYLNSA-N 2 0 290.451 2.912 20 0 CFADRP Cc1ccc(CCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000354513820 381313809 /nfs/dbraw/zinc/31/38/09/381313809.db2.gz ZKBMNQLPQJSXQI-AYHJJNSGSA-N 2 0 287.451 2.928 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(F)cccc1CC ZINC000354581201 381351345 /nfs/dbraw/zinc/35/13/45/381351345.db2.gz WULJDNHYXMVBNP-HNNXBMFYSA-N 2 0 296.430 2.835 20 0 CFADRP CC[C@H]1CN(c2ccnc(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000184006318 381354099 /nfs/dbraw/zinc/35/40/99/381354099.db2.gz WETLHFUJWZAXQW-KRWDZBQOSA-N 2 0 296.418 2.886 20 0 CFADRP CN(C)Cc1cnc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)s1 ZINC000347837336 381371642 /nfs/dbraw/zinc/37/16/42/381371642.db2.gz AMKMELQSLDNHQO-TZMCWYRMSA-N 2 0 279.453 2.969 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000296471132 381410395 /nfs/dbraw/zinc/41/03/95/381410395.db2.gz PODONYGWWGYDBT-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccco2)[C@H](C)C1 ZINC000359432797 381411427 /nfs/dbraw/zinc/41/14/27/381411427.db2.gz WVFSSYLDXAROOY-NVXWUHKLSA-N 2 0 294.439 2.549 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919917 381414287 /nfs/dbraw/zinc/41/42/87/381414287.db2.gz AUJHZDXMTHDSJT-HUUCEWRRSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000359384824 381386697 /nfs/dbraw/zinc/38/66/97/381386697.db2.gz UOGRJIPGCCVEFQ-SWLSCSKDSA-N 2 0 266.816 2.812 20 0 CFADRP CCc1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cn1 ZINC000347864762 381387327 /nfs/dbraw/zinc/38/73/27/381387327.db2.gz NTRXHQZCUSINMQ-PBHICJAKSA-N 2 0 275.440 2.949 20 0 CFADRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370163978 381397698 /nfs/dbraw/zinc/39/76/98/381397698.db2.gz VDJGPRUKQSAEGN-JSGCOSHPSA-N 2 0 294.468 2.511 20 0 CFADRP Cc1ccc(CCC[NH2+]CC2(C)CC[NH+](C)CC2)cn1 ZINC000354679388 381400990 /nfs/dbraw/zinc/40/09/90/381400990.db2.gz SIEDGBBOBJXLHP-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000342570151 381403372 /nfs/dbraw/zinc/40/33/72/381403372.db2.gz BGZUJOASGTZVLA-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP OC1CC[NH+](CCC[NH2+]CCCC2CCCCC2)CC1 ZINC000347900270 381403559 /nfs/dbraw/zinc/40/35/59/381403559.db2.gz JGHQPVBEKZKDIC-UHFFFAOYSA-N 2 0 282.472 2.783 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)C1CCCCC1 ZINC000347952404 381430760 /nfs/dbraw/zinc/43/07/60/381430760.db2.gz DKXPESOXKRPMJU-HLLBOEOZSA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000342618064 381437425 /nfs/dbraw/zinc/43/74/25/381437425.db2.gz SIUAVGOLYYDWQW-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)OC(=O)C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000184457287 381418836 /nfs/dbraw/zinc/41/88/36/381418836.db2.gz QNFOKYIZZNRKJB-CVEARBPZSA-N 2 0 296.455 2.524 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000348262742 381476492 /nfs/dbraw/zinc/47/64/92/381476492.db2.gz KGSHKJOJVQYFQY-XMTFNYHQSA-N 2 0 293.499 2.808 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2ccco2)C1 ZINC000370494457 381457748 /nfs/dbraw/zinc/45/77/48/381457748.db2.gz DWTORBRVAZGLGE-CABCVRRESA-N 2 0 262.397 2.943 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)O1 ZINC000296587002 381461844 /nfs/dbraw/zinc/46/18/44/381461844.db2.gz XHYIZAQOJVKBTA-LALPHHSUSA-N 2 0 289.354 2.667 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290520275 381463212 /nfs/dbraw/zinc/46/32/12/381463212.db2.gz YYVOZZATBKQFTP-CQSZACIVSA-N 2 0 279.428 2.546 20 0 CFADRP CCC1CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000342694327 381484624 /nfs/dbraw/zinc/48/46/24/381484624.db2.gz DWHCISATSAMZQR-KMZOKZLKSA-N 2 0 280.456 2.533 20 0 CFADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC3CC3)CC2)CC1 ZINC000370556167 381467941 /nfs/dbraw/zinc/46/79/41/381467941.db2.gz JLBSHSMPXAIKJN-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2COc3ccc(F)cc3C2)CC1 ZINC000290530981 381468056 /nfs/dbraw/zinc/46/80/56/381468056.db2.gz ZIYKERIWDPJZBC-MRXNPFEDSA-N 2 0 292.398 2.593 20 0 CFADRP CC(C)[NH+]1CCC(N(C)c2cccc(-n3ccnc3)n2)CC1 ZINC000370748377 381505293 /nfs/dbraw/zinc/50/52/93/381505293.db2.gz QYDUEJDBJFNHSC-UHFFFAOYSA-N 2 0 299.422 2.576 20 0 CFADRP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@](C)(O)C(C)C)C2)n1 ZINC000184992678 381507286 /nfs/dbraw/zinc/50/72/86/381507286.db2.gz GJHCZQZSXQGJCB-RDJZCZTQSA-N 2 0 291.439 2.531 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000370879546 381509646 /nfs/dbraw/zinc/50/96/46/381509646.db2.gz UPMKWPKBOYXMEZ-SJORKVTESA-N 2 0 293.499 2.810 20 0 CFADRP CC[C@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000412979056 381516939 /nfs/dbraw/zinc/51/69/39/381516939.db2.gz SNNKPVJUOVDWEL-QZTJIDSGSA-N 2 0 290.451 2.865 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354859896 381491839 /nfs/dbraw/zinc/49/18/39/381491839.db2.gz CZDZLXGQQXMXEX-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP Cc1ccsc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000290602958 381495636 /nfs/dbraw/zinc/49/56/36/381495636.db2.gz VZRCMYJWUMDTMW-UONOGXRCSA-N 2 0 264.438 2.973 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000370709464 381496125 /nfs/dbraw/zinc/49/61/25/381496125.db2.gz RJAKBOZXLKMRMC-IAGOWNOFSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000348371764 381537561 /nfs/dbraw/zinc/53/75/61/381537561.db2.gz HTBHTVSCBGNCBE-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C[C@H]1CCCCO1 ZINC000354988473 381552434 /nfs/dbraw/zinc/55/24/34/381552434.db2.gz OLGRJDDNWQVXDA-HRCADAONSA-N 2 0 266.429 2.552 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000414284780 381574551 /nfs/dbraw/zinc/57/45/51/381574551.db2.gz KWAMKOBYABDUQQ-HUUCEWRRSA-N 2 0 290.455 2.633 20 0 CFADRP CCC(O)(CC)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298006795 381577105 /nfs/dbraw/zinc/57/71/05/381577105.db2.gz BRHBLRDZDNLNFH-UHFFFAOYSA-N 2 0 291.439 2.581 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414075974 381560042 /nfs/dbraw/zinc/56/00/42/381560042.db2.gz PQVPUHYHAFYJGQ-RBSFLKMASA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(O)CCC3)CC2)C1 ZINC000342811364 381560050 /nfs/dbraw/zinc/56/00/50/381560050.db2.gz DQDSSWBRXPDVSY-NVXWUHKLSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(O)CCC3)CC2)C1 ZINC000342811363 381560126 /nfs/dbraw/zinc/56/01/26/381560126.db2.gz DQDSSWBRXPDVSY-DOTOQJQBSA-N 2 0 294.483 2.924 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000414169799 381567299 /nfs/dbraw/zinc/56/72/99/381567299.db2.gz BNSVJMDXWSRIJW-QBPKDAKJSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000414176969 381568392 /nfs/dbraw/zinc/56/83/92/381568392.db2.gz IPHPZKYOHBHPFU-QKPAOTATSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000185223197 381568675 /nfs/dbraw/zinc/56/86/75/381568675.db2.gz XSKGUVXPHACPML-SOUVJXGZSA-N 2 0 268.445 2.510 20 0 CFADRP COC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297796819 381572165 /nfs/dbraw/zinc/57/21/65/381572165.db2.gz XDKIZVFENZNRCM-CQSZACIVSA-N 2 0 291.439 2.844 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccccc3[C@H]2C)CC[NH2+]1 ZINC000414691812 381599788 /nfs/dbraw/zinc/59/97/88/381599788.db2.gz JQYGYOFCNPHLFN-KFWWJZLASA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccccc3[C@H]2C)CC[NH2+]1 ZINC000414691814 381600338 /nfs/dbraw/zinc/60/03/38/381600338.db2.gz JQYGYOFCNPHLFN-RBSFLKMASA-N 2 0 258.409 2.994 20 0 CFADRP CC[C@H](C)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371351104 381600525 /nfs/dbraw/zinc/60/05/25/381600525.db2.gz TZGBRUMTGDGQRH-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000414718522 381603387 /nfs/dbraw/zinc/60/33/87/381603387.db2.gz ZFJUZPNTFRTHFD-ZQDZILKHSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414784177 381605610 /nfs/dbraw/zinc/60/56/10/381605610.db2.gz QVZVUVMUEFYMDC-PMPSAXMXSA-N 2 0 280.456 2.500 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[C@H](C)[NH3+] ZINC000414818219 381607352 /nfs/dbraw/zinc/60/73/52/381607352.db2.gz DFGSAAVZGAJZKC-NWDGAFQWSA-N 2 0 286.366 2.936 20 0 CFADRP C[C@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]C1 ZINC000414901534 381611364 /nfs/dbraw/zinc/61/13/64/381611364.db2.gz GCYUOKFVVKIYDX-HOTGVXAUSA-N 2 0 278.827 2.787 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCOc2ccccc2)CC[NH2+]1 ZINC000414927824 381617580 /nfs/dbraw/zinc/61/75/80/381617580.db2.gz ABQRLHBOZHFBGM-GJZGRUSLSA-N 2 0 262.397 2.576 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414930880 381620640 /nfs/dbraw/zinc/62/06/40/381620640.db2.gz BHIOUASPQXSDNT-ZOBUZTSGSA-N 2 0 260.425 2.904 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@H](C(C)C)C(C)(C)O)n2c1 ZINC000359811419 381621738 /nfs/dbraw/zinc/62/17/38/381621738.db2.gz VZKWQNFLBMTXOJ-OAHLLOKOSA-N 2 0 275.396 2.528 20 0 CFADRP CC1([NH2+]CCCCCOc2ccccc2)CC[NH2+]CC1 ZINC000414932668 381622359 /nfs/dbraw/zinc/62/23/59/381622359.db2.gz DBOYKAGQJSMROA-UHFFFAOYSA-N 2 0 276.424 2.967 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1SC ZINC000414934187 381623907 /nfs/dbraw/zinc/62/39/07/381623907.db2.gz AGSUHKMZAMNZID-WCQYABFASA-N 2 0 280.437 2.505 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(C)cc2)CCC[NH2+]1 ZINC000414934713 381624581 /nfs/dbraw/zinc/62/45/81/381624581.db2.gz AGZLURDZLUBEMN-WMZOPIPTSA-N 2 0 290.451 2.674 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000414934253 381625103 /nfs/dbraw/zinc/62/51/03/381625103.db2.gz AIUMHNXLLVYCNQ-UONOGXRCSA-N 2 0 264.413 2.604 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414937018 381627597 /nfs/dbraw/zinc/62/75/97/381627597.db2.gz ZQQALQLVHJFRKF-GJZGRUSLSA-N 2 0 262.397 2.833 20 0 CFADRP CCSc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414936327 381627722 /nfs/dbraw/zinc/62/77/22/381627722.db2.gz GUWKFAAAVMVRFP-WFASDCNBSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414944313 381635578 /nfs/dbraw/zinc/63/55/78/381635578.db2.gz GPBUQYXWWBZCOW-BZPMIXESSA-N 2 0 252.427 2.799 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C[C@@H]1c1ccccc1 ZINC000414943344 381633854 /nfs/dbraw/zinc/63/38/54/381633854.db2.gz NRGFUWSLFPWADG-NOYHWAJDSA-N 2 0 258.409 2.766 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+]C1CCN(C2CC2)CC1 ZINC000298493836 381649120 /nfs/dbraw/zinc/64/91/20/381649120.db2.gz QBKQJRSVCPDLDZ-UHFFFAOYSA-N 2 0 283.419 2.927 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414956595 381649352 /nfs/dbraw/zinc/64/93/52/381649352.db2.gz NOUNHUMWMKYESZ-WMLDXEAASA-N 2 0 276.424 2.809 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947021 381638565 /nfs/dbraw/zinc/63/85/65/381638565.db2.gz KHMLWIBUVRLKBJ-GMTAPVOTSA-N 2 0 252.324 2.838 20 0 CFADRP NC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000414947872 381638901 /nfs/dbraw/zinc/63/89/01/381638901.db2.gz XHZALKPWGVEKLO-FPCQFERPSA-N 2 0 297.446 2.947 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000343035522 381655167 /nfs/dbraw/zinc/65/51/67/381655167.db2.gz SSUHAFMENAKGFB-MAUKXSAKSA-N 2 0 289.467 2.568 20 0 CFADRP Fc1cc(F)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414962229 381657983 /nfs/dbraw/zinc/65/79/83/381657983.db2.gz BVQPCOQPPTZSMX-AWEZNQCLSA-N 2 0 254.324 2.587 20 0 CFADRP CC(C)Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414963511 381658809 /nfs/dbraw/zinc/65/88/09/381658809.db2.gz UAKVTVBUIUFFQU-PBHICJAKSA-N 2 0 260.425 2.973 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414965266 381662507 /nfs/dbraw/zinc/66/25/07/381662507.db2.gz FGNBFMURMCBENE-NHZBNJEXSA-N 2 0 280.362 2.956 20 0 CFADRP CC[C@@H](C)C[C@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414965964 381662634 /nfs/dbraw/zinc/66/26/34/381662634.db2.gz BGPJQAWUORXLKI-CABCVRRESA-N 2 0 270.461 2.807 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414968400 381665925 /nfs/dbraw/zinc/66/59/25/381665925.db2.gz FQCPIYDBKHGFPX-CVEARBPZSA-N 2 0 280.456 2.561 20 0 CFADRP Clc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414970405 381667586 /nfs/dbraw/zinc/66/75/86/381667586.db2.gz KLYIYJAGTDILAQ-AWEZNQCLSA-N 2 0 252.789 2.962 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414975114 381669246 /nfs/dbraw/zinc/66/92/46/381669246.db2.gz OHVRMMOWTHHKJG-HOCLYGCPSA-N 2 0 276.424 2.748 20 0 CFADRP COCC1(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000414975300 381669312 /nfs/dbraw/zinc/66/93/12/381669312.db2.gz NTHHSEYXTYUOGX-HOTGVXAUSA-N 2 0 290.451 2.784 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414975808 381670634 /nfs/dbraw/zinc/67/06/34/381670634.db2.gz HBIOJESXTAQXTN-CJNGLKHVSA-N 2 0 273.424 2.665 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414975811 381670993 /nfs/dbraw/zinc/67/09/93/381670993.db2.gz HBIOJESXTAQXTN-XJKSGUPXSA-N 2 0 273.424 2.665 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656260 381671841 /nfs/dbraw/zinc/67/18/41/381671841.db2.gz QYXWNMIOWNQFRQ-IRXDYDNUSA-N 2 0 298.434 2.767 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000414958697 381650889 /nfs/dbraw/zinc/65/08/89/381650889.db2.gz RPZQDEOEXLKQQX-RHSMWYFYSA-N 2 0 294.414 2.505 20 0 CFADRP CC(C)OC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695612 381708607 /nfs/dbraw/zinc/70/86/07/381708607.db2.gz LMHCFLUGKIBDSM-HUUCEWRRSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371833990 381708907 /nfs/dbraw/zinc/70/89/07/381708907.db2.gz GFACWCBTJOGPHN-KURKYZTESA-N 2 0 293.499 2.525 20 0 CFADRP CCCc1csc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000415015394 381709582 /nfs/dbraw/zinc/70/95/82/381709582.db2.gz YQDKWQDZGSLWLW-UONOGXRCSA-N 2 0 279.453 2.573 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415015252 381710433 /nfs/dbraw/zinc/71/04/33/381710433.db2.gz NUXIKZFXVVBGEU-CQSZACIVSA-N 2 0 286.423 2.992 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H](C)CCC[NH3+])cc2s1 ZINC000415015240 381710576 /nfs/dbraw/zinc/71/05/76/381710576.db2.gz AQKCBCGSGDIBTF-SNVBAGLBSA-N 2 0 263.410 2.822 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000415016039 381710632 /nfs/dbraw/zinc/71/06/32/381710632.db2.gz OXCUYGHNAAFFDQ-LLVKDONJSA-N 2 0 294.830 2.834 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371840393 381710848 /nfs/dbraw/zinc/71/08/48/381710848.db2.gz HPNIBICTTZRDGI-QZTJIDSGSA-N 2 0 295.515 2.915 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415018066 381711227 /nfs/dbraw/zinc/71/12/27/381711227.db2.gz GFWHSLHIDBPGJY-UONOGXRCSA-N 2 0 264.413 2.733 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000415017735 381711956 /nfs/dbraw/zinc/71/19/56/381711956.db2.gz FWSHVKLSFIOYKY-SECBINFHSA-N 2 0 267.373 2.652 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000415017834 381712041 /nfs/dbraw/zinc/71/20/41/381712041.db2.gz AOQUMBGYAQPNAG-BZUAXINKSA-N 2 0 292.471 2.750 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1F ZINC000415020304 381715017 /nfs/dbraw/zinc/71/50/17/381715017.db2.gz WZMCUYCILJNXQU-LBPRGKRZSA-N 2 0 268.376 2.832 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414980008 381674702 /nfs/dbraw/zinc/67/47/02/381674702.db2.gz VYDPAANHSARECU-QKIRZYONSA-N 2 0 274.408 2.686 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414979594 381674779 /nfs/dbraw/zinc/67/47/79/381674779.db2.gz VOFFACHDZRHMPB-MRXNPFEDSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCN3)CC[NH2+]1 ZINC000414980162 381674962 /nfs/dbraw/zinc/67/49/62/381674962.db2.gz PFKXXVWXWGEJJT-DZGCQCFKSA-N 2 0 273.424 2.522 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H](C)C1 ZINC000414980079 381675750 /nfs/dbraw/zinc/67/57/50/381675750.db2.gz OVSAPSUWYNZNNE-YOEHRIQHSA-N 2 0 287.451 2.865 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414986449 381681786 /nfs/dbraw/zinc/68/17/86/381681786.db2.gz CJEJSVOXWMXTBE-IRXDYDNUSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414990278 381682773 /nfs/dbraw/zinc/68/27/73/381682773.db2.gz IDVLPIPKIGNPQD-ZIAGYGMSSA-N 2 0 298.377 2.938 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000414988317 381682985 /nfs/dbraw/zinc/68/29/85/381682985.db2.gz FRSSOBLCAKKBPP-CMPLNLGQSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414988944 381683017 /nfs/dbraw/zinc/68/30/17/381683017.db2.gz LTSBRPVSQIBEIP-INPUVKKMSA-N 2 0 274.383 2.944 20 0 CFADRP CC[C@H]([NH3+])C[NH2+]CCCCCOc1ccccc1 ZINC000414995594 381686567 /nfs/dbraw/zinc/68/65/67/381686567.db2.gz WGNADKAADGKKDL-AWEZNQCLSA-N 2 0 250.386 2.563 20 0 CFADRP CC(C)c1ncc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414998986 381690991 /nfs/dbraw/zinc/69/09/91/381690991.db2.gz RJDPRWHJHLFXGR-NWDGAFQWSA-N 2 0 267.442 2.874 20 0 CFADRP COc1ccc2nc(C[NH2+][C@H](C)CCC[NH3+])sc2c1 ZINC000415023534 381716785 /nfs/dbraw/zinc/71/67/85/381716785.db2.gz NEHBBOQJBOJCKO-SNVBAGLBSA-N 2 0 279.409 2.522 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415000936 381693081 /nfs/dbraw/zinc/69/30/81/381693081.db2.gz BTSVACJLWAKURK-LSDHHAIUSA-N 2 0 264.800 2.818 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415022625 381717066 /nfs/dbraw/zinc/71/70/66/381717066.db2.gz ZWJUNTVBFHTOJA-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415003354 381696757 /nfs/dbraw/zinc/69/67/57/381696757.db2.gz WZWDWPOMBSEHPZ-JSGCOSHPSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185664169 381697417 /nfs/dbraw/zinc/69/74/17/381697417.db2.gz VWASZHPQPCLMRG-DIECFANBSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415007802 381700771 /nfs/dbraw/zinc/70/07/71/381700771.db2.gz RPRVTKQAQYCKCT-UMVBOHGHSA-N 2 0 264.388 2.864 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415007829 381700831 /nfs/dbraw/zinc/70/08/31/381700831.db2.gz RRTYNEHKYNSESB-DZKIICNBSA-N 2 0 276.424 2.733 20 0 CFADRP COC1(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCCC1 ZINC000359962124 381700902 /nfs/dbraw/zinc/70/09/02/381700902.db2.gz BOZNQNPMXZQORD-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]CC2CC2)cc1 ZINC000415008382 381702146 /nfs/dbraw/zinc/70/21/46/381702146.db2.gz SMKVJWDFQMMVCB-ZBFHGGJFSA-N 2 0 262.372 2.518 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415009691 381702800 /nfs/dbraw/zinc/70/28/00/381702800.db2.gz FOIYRIUHOBQFJE-RYRKJORJSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359969393 381703952 /nfs/dbraw/zinc/70/39/52/381703952.db2.gz HKSNPBKJSGDSJS-YOEHRIQHSA-N 2 0 270.420 2.834 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c(Cl)c1 ZINC000415010153 381704150 /nfs/dbraw/zinc/70/41/50/381704150.db2.gz GOLSJBVGHNEZFB-QJPTWQEYSA-N 2 0 297.830 2.691 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000415009860 381705108 /nfs/dbraw/zinc/70/51/08/381705108.db2.gz OLMSOSQINUGCPE-XVLPMQGWSA-N 2 0 250.430 2.789 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000415041022 381728614 /nfs/dbraw/zinc/72/86/14/381728614.db2.gz PKADHXYGFIWEHT-LEINQQNWSA-N 2 0 266.335 2.695 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000415039358 381729091 /nfs/dbraw/zinc/72/90/91/381729091.db2.gz NYBZEVHTVBJYPO-KBPBESRZSA-N 2 0 291.414 2.643 20 0 CFADRP CC[NH+](CC)[C@H](C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000355292280 381731207 /nfs/dbraw/zinc/73/12/07/381731207.db2.gz OLCCCNOEXXFKPL-CQSZACIVSA-N 2 0 269.477 2.569 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000415042418 381731199 /nfs/dbraw/zinc/73/11/99/381731199.db2.gz QUDBLZSORLNIGV-GWCFXTLKSA-N 2 0 262.328 2.789 20 0 CFADRP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000415045929 381732316 /nfs/dbraw/zinc/73/23/16/381732316.db2.gz UQZNGIJHVIWRFA-GHMZBOCLSA-N 2 0 267.442 2.658 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415044481 381733464 /nfs/dbraw/zinc/73/34/64/381733464.db2.gz SSWIGCFZHCVCGC-NWDGAFQWSA-N 2 0 267.442 2.559 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000372010374 381733842 /nfs/dbraw/zinc/73/38/42/381733842.db2.gz NZECXXWZDIYJRV-ZACQAIPSSA-N 2 0 256.393 2.631 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057854 381742656 /nfs/dbraw/zinc/74/26/56/381742656.db2.gz UPQBXEWIIWRTLW-RDTXWAMCSA-N 2 0 298.434 2.597 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057119 381743142 /nfs/dbraw/zinc/74/31/42/381743142.db2.gz QWECDNZDJCJPJV-KLAILNCOSA-N 2 0 281.488 2.617 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415058564 381745049 /nfs/dbraw/zinc/74/50/49/381745049.db2.gz UCGMWLMFTGEGCF-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)o1 ZINC000372065525 381746137 /nfs/dbraw/zinc/74/61/37/381746137.db2.gz QGLDJDNOWKSOSB-XHSDSOJGSA-N 2 0 292.423 2.740 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415060626 381747755 /nfs/dbraw/zinc/74/77/55/381747755.db2.gz XCNXOOIWJQWSKS-PBHCIXSXSA-N 2 0 293.499 2.761 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415060567 381747878 /nfs/dbraw/zinc/74/78/78/381747878.db2.gz YRIPZWIVSCXUQH-IRXDYDNUSA-N 2 0 288.435 2.968 20 0 CFADRP CC(C)COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415063745 381748795 /nfs/dbraw/zinc/74/87/95/381748795.db2.gz ATAROPBJRZFGHU-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415062661 381749045 /nfs/dbraw/zinc/74/90/45/381749045.db2.gz MQYBFMFCNURHPR-ZDUSSCGKSA-N 2 0 250.386 2.691 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]CCC[NH2+]C1CC1 ZINC000415073617 381759341 /nfs/dbraw/zinc/75/93/41/381759341.db2.gz YXISTZGSDNHGNH-HNNXBMFYSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415063565 381749914 /nfs/dbraw/zinc/74/99/14/381749914.db2.gz AGHOHPULFNLHOK-UHFFFAOYSA-N 2 0 284.407 2.617 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CCC[NH2+]C1CC1 ZINC000415064454 381750005 /nfs/dbraw/zinc/75/00/05/381750005.db2.gz COLFCLSIXMEVJK-CYBMUJFWSA-N 2 0 264.388 2.879 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000372093445 381750888 /nfs/dbraw/zinc/75/08/88/381750888.db2.gz FFDZPYUGDOQLTQ-SJORKVTESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000415067982 381754411 /nfs/dbraw/zinc/75/44/11/381754411.db2.gz LWIOOKHLLARBGP-QSPRXWTASA-N 2 0 258.409 2.910 20 0 CFADRP CCN1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343500473 381754721 /nfs/dbraw/zinc/75/47/21/381754721.db2.gz CUXVMGOMFAVPDE-ULQDDVLXSA-N 2 0 281.488 2.571 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CCC[NH2+]C2CC2)c(F)c1 ZINC000415070218 381755982 /nfs/dbraw/zinc/75/59/82/381755982.db2.gz QCDIDVFHYSGAPC-IWQZZHSRSA-N 2 0 266.335 2.710 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1OC(C)C ZINC000415069794 381757318 /nfs/dbraw/zinc/75/73/18/381757318.db2.gz XOAXKGGHUPFXCE-CYBMUJFWSA-N 2 0 280.412 2.699 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000415026279 381718554 /nfs/dbraw/zinc/71/85/54/381718554.db2.gz SLUMUAPMDVOMDJ-WKILWMFISA-N 2 0 298.434 2.727 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000415027345 381719581 /nfs/dbraw/zinc/71/95/81/381719581.db2.gz WHNULYYPPSMRKW-UXLLHSPISA-N 3 0 281.488 2.747 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000415028011 381719725 /nfs/dbraw/zinc/71/97/25/381719725.db2.gz XSWICHQQVHARGS-CYBMUJFWSA-N 2 0 286.423 2.706 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026917 381719855 /nfs/dbraw/zinc/71/98/55/381719855.db2.gz VIXBYLUZOFPZHS-FVQBIDKESA-N 2 0 268.445 2.546 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415027415 381719876 /nfs/dbraw/zinc/71/98/76/381719876.db2.gz WQVKFUAXJIWLGB-QWHCGFSZSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000415027890 381720252 /nfs/dbraw/zinc/72/02/52/381720252.db2.gz BWTDNKXVJOWWIL-IHWGESPNSA-N 2 0 258.409 2.896 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000415026965 381720463 /nfs/dbraw/zinc/72/04/63/381720463.db2.gz AGJOIGCYXOHGJA-GOEBONIOSA-N 2 0 274.408 2.692 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415030864 381721387 /nfs/dbraw/zinc/72/13/87/381721387.db2.gz CXBJLCTYENVLBM-OAGGEKHMSA-N 2 0 282.472 2.950 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000415029926 381721810 /nfs/dbraw/zinc/72/18/10/381721810.db2.gz FCCLEPHIYLUOLH-CMPLNLGQSA-N 2 0 272.314 2.922 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000415033193 381722809 /nfs/dbraw/zinc/72/28/09/381722809.db2.gz ITQFHHPYGCDEMU-SKDRFNHKSA-N 2 0 256.752 2.696 20 0 CFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031299 381722913 /nfs/dbraw/zinc/72/29/13/381722913.db2.gz GGHPGCOAHOJRGI-GOONRYMUSA-N 2 0 270.829 2.530 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415031112 381723490 /nfs/dbraw/zinc/72/34/90/381723490.db2.gz GKROLXYOVFBPLB-WDEREUQCSA-N 2 0 267.442 2.658 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000415032232 381723499 /nfs/dbraw/zinc/72/34/99/381723499.db2.gz HUFBZMIJVLAYJV-HIFRSBDPSA-N 2 0 292.423 2.699 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H](c2ccccc2)C1 ZINC000415035452 381724463 /nfs/dbraw/zinc/72/44/63/381724463.db2.gz KXOIKGRLDAWKKE-KFROQNRCSA-N 2 0 270.420 2.766 20 0 CFADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034478 381724861 /nfs/dbraw/zinc/72/48/61/381724861.db2.gz JRUTWDNGOTUAGY-GJTWSCIVSA-N 2 0 285.218 2.732 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000415037842 381726267 /nfs/dbraw/zinc/72/62/67/381726267.db2.gz MQCZUJXSFASRSS-JKSUJKDBSA-N 2 0 274.408 2.692 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000415037805 381726848 /nfs/dbraw/zinc/72/68/48/381726848.db2.gz MMTJHYCJMWPJAI-KBXCAEBGSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1[nH+]c2ccccc2c(N(C)CC[NH+](C)C)c1C ZINC000343538380 381782326 /nfs/dbraw/zinc/78/23/26/381782326.db2.gz VIWYNTGHIUDPOL-UHFFFAOYSA-N 2 0 257.381 2.849 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415106900 381784526 /nfs/dbraw/zinc/78/45/26/381784526.db2.gz OFPQUVLVBFLMBQ-FZCLSBEQSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415105880 381785395 /nfs/dbraw/zinc/78/53/95/381785395.db2.gz GTDFMSMNENVXIL-INMHGKMJSA-N 2 0 275.440 2.913 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343544299 381785897 /nfs/dbraw/zinc/78/58/97/381785897.db2.gz WZYUIHXHRTZBOT-LSDHHAIUSA-N 2 0 298.471 2.913 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000343544597 381786813 /nfs/dbraw/zinc/78/68/13/381786813.db2.gz YFEQJVCUXCILQT-UHFFFAOYSA-N 2 0 298.471 2.913 20 0 CFADRP CC(C)c1nc(CC[NH2+]C2CCC(C[NH3+])CC2)cs1 ZINC000415111633 381787159 /nfs/dbraw/zinc/78/71/59/381787159.db2.gz RJOOFKATCZOPBD-UHFFFAOYSA-N 2 0 281.469 2.916 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000343548758 381789665 /nfs/dbraw/zinc/78/96/65/381789665.db2.gz AAKKTKPSKTWHBQ-DJIMGWMZSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415117514 381789865 /nfs/dbraw/zinc/78/98/65/381789865.db2.gz VMRCLJWDFWVGGO-DGCLKSJQSA-N 2 0 268.351 2.800 20 0 CFADRP CCn1c2ccccc2nc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000415118389 381789963 /nfs/dbraw/zinc/78/99/63/381789963.db2.gz WMAYVNCHEMDFSR-ZDUSSCGKSA-N 2 0 286.423 2.706 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000355666712 381790703 /nfs/dbraw/zinc/79/07/03/381790703.db2.gz DGGCROLKALWCKZ-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cs1 ZINC000415118428 381790915 /nfs/dbraw/zinc/79/09/15/381790915.db2.gz WNHMAXMVCCRERZ-STQMWFEESA-N 2 0 281.469 2.929 20 0 CFADRP Cc1ccc(N[C@H](C)C[C@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000415122979 381794387 /nfs/dbraw/zinc/79/43/87/381794387.db2.gz OVPIVQDIOCQWMH-GDBMZVCRSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415124249 381794794 /nfs/dbraw/zinc/79/47/94/381794794.db2.gz KAPGTHUMWUABMS-HLLBOEOZSA-N 2 0 260.425 2.782 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360972733 381796995 /nfs/dbraw/zinc/79/69/95/381796995.db2.gz CRFCQLWGOBTKDN-ZACQAIPSSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]C1CCC([NH2+]CCOc2cccc(Cl)c2)CC1 ZINC000415074814 381760743 /nfs/dbraw/zinc/76/07/43/381760743.db2.gz AUZSNYWEFSRKAG-UHFFFAOYSA-N 2 0 268.788 2.578 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415075745 381760852 /nfs/dbraw/zinc/76/08/52/381760852.db2.gz RGPPHLCMRXPTRI-DZGCQCFKSA-N 2 0 264.388 2.879 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415074826 381761697 /nfs/dbraw/zinc/76/16/97/381761697.db2.gz AWHAGJTTZHCHKA-GOEBONIOSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415078602 381763852 /nfs/dbraw/zinc/76/38/52/381763852.db2.gz GQVBXDQKFVNRHO-STQMWFEESA-N 2 0 252.427 2.516 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415081165 381765313 /nfs/dbraw/zinc/76/53/13/381765313.db2.gz JZFUZLKLDNCZIP-CVEARBPZSA-N 2 0 260.425 2.966 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415081152 381766327 /nfs/dbraw/zinc/76/63/27/381766327.db2.gz KGYCDNKYMPMDHV-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415085133 381770783 /nfs/dbraw/zinc/77/07/83/381770783.db2.gz HYBZWYWVMIFGGY-QGZVFWFLSA-N 2 0 260.425 2.862 20 0 CFADRP CC[C@H]([NH2+]CCC[NH3+])c1ccccc1OC(F)F ZINC000415085547 381771060 /nfs/dbraw/zinc/77/10/60/381771060.db2.gz QJFJESLCUNNDOY-NSHDSACASA-N 2 0 258.312 2.678 20 0 CFADRP [NH3+][C@@H]1CN(CC2CCCC2)C[C@H]1c1cccc(F)c1 ZINC000415131250 381799518 /nfs/dbraw/zinc/79/95/18/381799518.db2.gz YRWHDZSFAAEDII-JKSUJKDBSA-N 2 0 262.372 2.742 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000415085812 381771903 /nfs/dbraw/zinc/77/19/03/381771903.db2.gz RBQAANQLWWJNNL-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP CSc1cc(C)ccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415088163 381773050 /nfs/dbraw/zinc/77/30/50/381773050.db2.gz UVMPTXSKIBVVLA-HNNXBMFYSA-N 2 0 264.438 2.806 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccnc1 ZINC000415086555 381773218 /nfs/dbraw/zinc/77/32/18/381773218.db2.gz RXVMCWZZYDQPGX-PREGVCBESA-N 2 0 275.440 2.928 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415089928 381775932 /nfs/dbraw/zinc/77/59/32/381775932.db2.gz ODHRQNKBCFFPJD-AWEZNQCLSA-N 2 0 297.240 2.847 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000361386987 381824365 /nfs/dbraw/zinc/82/43/65/381824365.db2.gz RQGZGFFQOKVZQY-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000186154234 381837353 /nfs/dbraw/zinc/83/73/53/381837353.db2.gz AOERTSUCUFLGTO-NSHDSACASA-N 2 0 268.426 2.749 20 0 CFADRP COc1ccsc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000186159170 381837482 /nfs/dbraw/zinc/83/74/82/381837482.db2.gz SFDCMLGEVBBFOA-NWDGAFQWSA-N 2 0 268.426 2.749 20 0 CFADRP Cc1cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343613067 381841644 /nfs/dbraw/zinc/84/16/44/381841644.db2.gz WPYIQWRECCLTBK-IUODEOHRSA-N 2 0 287.382 2.999 20 0 CFADRP CCSCC[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000355752465 381801092 /nfs/dbraw/zinc/80/10/92/381801092.db2.gz OCODRSGLNXXYQS-CQSZACIVSA-N 2 0 258.475 2.984 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000361232593 381810620 /nfs/dbraw/zinc/81/06/20/381810620.db2.gz OXDYHBHLHMLHOV-KRWDZBQOSA-N 2 0 284.488 2.837 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCCOC1 ZINC000356870553 381875352 /nfs/dbraw/zinc/87/53/52/381875352.db2.gz OCGBCLIVVGRBBR-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCCOC1 ZINC000356869911 381876354 /nfs/dbraw/zinc/87/63/54/381876354.db2.gz OCGBCLIVVGRBBR-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000356881246 381881950 /nfs/dbraw/zinc/88/19/50/381881950.db2.gz UTYMRKOISIHLMM-UKRRQHHQSA-N 2 0 294.414 2.792 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000186346517 381887619 /nfs/dbraw/zinc/88/76/19/381887619.db2.gz UXSYLFQMQISSRH-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CCOCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000349218308 381853337 /nfs/dbraw/zinc/85/33/37/381853337.db2.gz UDZFQAZNLYSORS-UHFFFAOYSA-N 2 0 296.377 2.523 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292837292 381857294 /nfs/dbraw/zinc/85/72/94/381857294.db2.gz AXNBHMNYAGEEOW-SFHVURJKSA-N 2 0 272.436 2.955 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@H]1OC ZINC000356792605 381866149 /nfs/dbraw/zinc/86/61/49/381866149.db2.gz UROGVWAQRCDLEB-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000361892319 381871862 /nfs/dbraw/zinc/87/18/62/381871862.db2.gz ZQFLOWDIQWYPQR-UHFFFAOYSA-N 2 0 276.346 2.959 20 0 CFADRP c1coc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000372901326 381886986 /nfs/dbraw/zinc/88/69/86/381886986.db2.gz HKOIXKCXOQRNQV-HNNXBMFYSA-N 2 0 262.397 2.945 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c[nH]nc21 ZINC000349343531 381898853 /nfs/dbraw/zinc/89/88/53/381898853.db2.gz GVIBHWSFQSRJNC-UHFFFAOYSA-N 2 0 286.423 2.871 20 0 CFADRP CC(C)CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349369893 381912423 /nfs/dbraw/zinc/91/24/23/381912423.db2.gz QIBVPXWGBGESBC-JWTNVVGKSA-N 2 0 293.499 2.665 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1cc(-n2ccnc2)cs1 ZINC000349373883 381914122 /nfs/dbraw/zinc/91/41/22/381914122.db2.gz XLJXWIWXWZIVKY-UHFFFAOYSA-N 2 0 292.452 2.707 20 0 CFADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000349385556 381922239 /nfs/dbraw/zinc/92/22/39/381922239.db2.gz XWLXOJHBQQNXFU-JCHDWMMXSA-N 2 0 294.483 2.946 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCSC1 ZINC000349413834 381928727 /nfs/dbraw/zinc/92/87/27/381928727.db2.gz FNAHUVAEIZCLJC-AWEZNQCLSA-N 2 0 256.459 2.547 20 0 CFADRP CCCCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373255527 381962276 /nfs/dbraw/zinc/96/22/76/381962276.db2.gz LMKDKHVMTLUXOA-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP CC(C)(C)C[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357074323 381996901 /nfs/dbraw/zinc/99/69/01/381996901.db2.gz GCYCPYCNTGCDJV-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357070165 381997545 /nfs/dbraw/zinc/99/75/45/381997545.db2.gz ACUBJJSIUJJEDC-IAGOWNOFSA-N 2 0 276.424 2.620 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000362306067 382000814 /nfs/dbraw/zinc/00/08/14/382000814.db2.gz XMNGPFSUXZKFEL-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@H+](CCC1CC[NH+]([C@H](C)COC)CC1)CC1CC1 ZINC000357083892 382001594 /nfs/dbraw/zinc/00/15/94/382001594.db2.gz LFWJVTRDFVDGOK-OAHLLOKOSA-N 2 0 282.472 2.855 20 0 CFADRP Fc1cccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357087821 382003247 /nfs/dbraw/zinc/00/32/47/382003247.db2.gz SKIBPXMQOBQRFO-OAHLLOKOSA-N 2 0 292.398 2.526 20 0 CFADRP CCCC[N@H+](CCOCC[NH3+])[C@@H](C)c1ccccc1 ZINC000357093991 382004165 /nfs/dbraw/zinc/00/41/65/382004165.db2.gz XMGSKBWFWPVZOF-HNNXBMFYSA-N 2 0 264.413 2.825 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc2cccnc12 ZINC000357110553 382012340 /nfs/dbraw/zinc/01/23/40/382012340.db2.gz ZJODDJNUZZOGHU-IRXDYDNUSA-N 2 0 281.403 2.585 20 0 CFADRP C[C@@H](c1ccccc1Cl)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357032777 381977579 /nfs/dbraw/zinc/97/75/79/381977579.db2.gz SYMNNXQCYNHVSD-LBPRGKRZSA-N 2 0 282.815 2.841 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H]1CCSC1)CC2)C1CC1 ZINC000373327615 381980287 /nfs/dbraw/zinc/98/02/87/381980287.db2.gz HTFVARDXHOPWES-LSDHHAIUSA-N 2 0 294.508 2.936 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000349689882 381984648 /nfs/dbraw/zinc/98/46/48/381984648.db2.gz DKPBSKOIIZFTDB-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000349717079 381985047 /nfs/dbraw/zinc/98/50/47/381985047.db2.gz CDGBWXOCHRMQDT-RNONSGAXSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCSCC1 ZINC000186948516 382053554 /nfs/dbraw/zinc/05/35/54/382053554.db2.gz ZFUHPKUJGPUWNW-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC([NH+]2CCCCC2)CC1 ZINC000351685211 382054981 /nfs/dbraw/zinc/05/49/81/382054981.db2.gz MKTSUGACPRPRHC-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)CC(C)C ZINC000417359703 382055959 /nfs/dbraw/zinc/05/59/59/382055959.db2.gz JCGUAYTZYXRQIV-OAHLLOKOSA-N 2 0 256.434 2.510 20 0 CFADRP OC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417362944 382056130 /nfs/dbraw/zinc/05/61/30/382056130.db2.gz KIGAOUHEWQQUHM-ULQDDVLXSA-N 2 0 280.456 2.534 20 0 CFADRP OC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417362943 382056726 /nfs/dbraw/zinc/05/67/26/382056726.db2.gz KIGAOUHEWQQUHM-IXDOHACOSA-N 2 0 280.456 2.534 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)CC(C)C ZINC000417388573 382058641 /nfs/dbraw/zinc/05/86/41/382058641.db2.gz ZVWYDQUEQBIJKI-JJXSEGSLSA-N 2 0 268.445 2.510 20 0 CFADRP CCCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000343921753 382020644 /nfs/dbraw/zinc/02/06/44/382020644.db2.gz HLYUQXOXZJNFNK-ZWKOTPCHSA-N 2 0 290.451 2.964 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000373710285 382026540 /nfs/dbraw/zinc/02/65/40/382026540.db2.gz DRDVPJGGXFAXIM-GVDBMIGSSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000343935881 382028262 /nfs/dbraw/zinc/02/82/62/382028262.db2.gz PFMSCLMNYRKYRS-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000362381719 382039050 /nfs/dbraw/zinc/03/90/50/382039050.db2.gz CTZOSYWYLLZSEK-HOTGVXAUSA-N 2 0 288.435 2.826 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000344073024 382109058 /nfs/dbraw/zinc/10/90/58/382109058.db2.gz CJGGVHUMNVSGAN-LSDHHAIUSA-N 2 0 270.461 2.900 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000344028509 382076113 /nfs/dbraw/zinc/07/61/13/382076113.db2.gz WCEZNPHJMZLPFT-CVEARBPZSA-N 2 0 280.456 2.797 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CC2)c1 ZINC000293324915 382080650 /nfs/dbraw/zinc/08/06/50/382080650.db2.gz FSQWTYAUWVJWGK-KSSFIOAISA-N 2 0 290.451 2.804 20 0 CFADRP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(C(C)C)n1 ZINC000301097963 382081566 /nfs/dbraw/zinc/08/15/66/382081566.db2.gz KOGXQTWJWJAXEC-CQSZACIVSA-N 2 0 274.412 2.583 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000417851345 382083287 /nfs/dbraw/zinc/08/32/87/382083287.db2.gz YGDYWTVKTAUDGP-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C[NH+](C)C ZINC000293335973 382084662 /nfs/dbraw/zinc/08/46/62/382084662.db2.gz GHSBQQDSNUAUEM-ABAIWWIYSA-N 2 0 250.361 2.600 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000417865450 382088412 /nfs/dbraw/zinc/08/84/12/382088412.db2.gz HQHCANNDNFALGT-HOTGVXAUSA-N 2 0 292.471 2.751 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000293346540 382088790 /nfs/dbraw/zinc/08/87/90/382088790.db2.gz GSZLWABKUZYINX-BBRMVZONSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000293352008 382089971 /nfs/dbraw/zinc/08/99/71/382089971.db2.gz HAMISNKNAAISNP-FSDCSDTHSA-N 2 0 260.425 2.966 20 0 CFADRP CCN1CCC([N@H+](CCOC2CCC2)C2CC2)CC1 ZINC000376542025 382143238 /nfs/dbraw/zinc/14/32/38/382143238.db2.gz PKAJHEDKDPMWIE-UHFFFAOYSA-N 2 0 266.429 2.504 20 0 CFADRP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCCC34CCOCC4)CC[N@@H+]2C1 ZINC000376586255 382151985 /nfs/dbraw/zinc/15/19/85/382151985.db2.gz KJOPWFGLKFDXPV-XHSDSOJGSA-N 2 0 278.440 2.552 20 0 CFADRP CC/C=C/CC[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344138128 382152398 /nfs/dbraw/zinc/15/23/98/382152398.db2.gz WYKIPDLRTXQJCZ-BQYQJAHWSA-N 2 0 281.488 2.692 20 0 CFADRP C[NH+]1CC[C@H](NCC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000352099229 382169735 /nfs/dbraw/zinc/16/97/35/382169735.db2.gz FSDMXIWJWAMPHR-SQNIBIBYSA-N 2 0 287.451 2.506 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]C[C@@H](C)COC)[NH+]1CCCC1 ZINC000187651794 382236674 /nfs/dbraw/zinc/23/66/74/382236674.db2.gz HNRMZTNZJOVQPH-GDBMZVCRSA-N 2 0 270.461 2.759 20 0 CFADRP CCC(CC)[C@H](C[NH2+]C[C@H](C)COC)[NH+]1CCCC1 ZINC000187651828 382237339 /nfs/dbraw/zinc/23/73/39/382237339.db2.gz HNRMZTNZJOVQPH-HOCLYGCPSA-N 2 0 270.461 2.759 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352190144 382216817 /nfs/dbraw/zinc/21/68/17/382216817.db2.gz PACDLRFKBSJILL-HNNXBMFYSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@H+](CCCCC1CCOCC1)CC(C)(C)C[NH3+] ZINC000302239513 382227051 /nfs/dbraw/zinc/22/70/51/382227051.db2.gz CRPRZUCVZYZTLF-UHFFFAOYSA-N 2 0 256.434 2.500 20 0 CFADRP COc1ncc([C@@H](C)NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000293603777 382192622 /nfs/dbraw/zinc/19/26/22/382192622.db2.gz IXZUHIGHDNQHFO-WDEREUQCSA-N 2 0 285.819 2.592 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000419213022 382244627 /nfs/dbraw/zinc/24/46/27/382244627.db2.gz HZCGBDNSFBMWCJ-SJORKVTESA-N 2 0 282.472 2.711 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000377283626 382248384 /nfs/dbraw/zinc/24/83/84/382248384.db2.gz SKWLVZMRHLKSBO-DZOHQFGASA-N 2 0 288.435 2.664 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OCC1CCC1 ZINC000419232940 382253448 /nfs/dbraw/zinc/25/34/48/382253448.db2.gz GLTUFLNFRCFRPD-AEFFLSMTSA-N 2 0 292.467 2.752 20 0 CFADRP CSC1(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000302480172 382255527 /nfs/dbraw/zinc/25/55/27/382255527.db2.gz SCZBWLURUBZHKR-ZDUSSCGKSA-N 2 0 256.459 2.736 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(F)c1 ZINC000187763560 382264597 /nfs/dbraw/zinc/26/45/97/382264597.db2.gz WAHVDUDRAXJVFA-INIZCTEOSA-N 2 0 282.403 2.835 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000293767966 382271266 /nfs/dbraw/zinc/27/12/66/382271266.db2.gz SMWWVLYXQYFAHO-HIFRSBDPSA-N 2 0 292.423 2.696 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CC(c2ccccn2)C1 ZINC000377623079 382304942 /nfs/dbraw/zinc/30/49/42/382304942.db2.gz ZJCAWAXFABMEHL-UHFFFAOYSA-N 2 0 261.413 2.649 20 0 CFADRP c1ccc(NCCC[NH2+]C2CC(c3ccccn3)C2)nc1 ZINC000377647388 382310992 /nfs/dbraw/zinc/31/09/92/382310992.db2.gz KJAYMHGWWKIDGX-UHFFFAOYSA-N 2 0 282.391 2.814 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357786960 382320631 /nfs/dbraw/zinc/32/06/31/382320631.db2.gz WYZNVFDSTKHUSQ-UONOGXRCSA-N 2 0 259.397 2.525 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCOc2ccccc21 ZINC000377694880 382321636 /nfs/dbraw/zinc/32/16/36/382321636.db2.gz LPLBMRKIWXRUSL-HNNXBMFYSA-N 2 0 276.424 2.826 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000420294566 382345871 /nfs/dbraw/zinc/34/58/71/382345871.db2.gz BFIFYPKRSAWDKB-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000187927547 382299459 /nfs/dbraw/zinc/29/94/59/382299459.db2.gz IDBQRVNCDSPRAR-NXHRZFHOSA-N 2 0 290.451 2.604 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000357848612 382349066 /nfs/dbraw/zinc/34/90/66/382349066.db2.gz KWVOTRBAMLJTJU-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@H+](CCCCc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420298629 382349203 /nfs/dbraw/zinc/34/92/03/382349203.db2.gz FLAIWDJTSHGVCS-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](c2ccsc2)O1 ZINC000420298554 382349339 /nfs/dbraw/zinc/34/93/39/382349339.db2.gz HQEUVRGSOKIBBJ-FMKPAKJESA-N 2 0 294.464 2.900 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420299969 382352202 /nfs/dbraw/zinc/35/22/02/382352202.db2.gz GXGUSGFNQBTKLQ-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@H](C)CC2(C)C)cc1 ZINC000420300984 382352412 /nfs/dbraw/zinc/35/24/12/382352412.db2.gz KUYWGJWQLVLIEE-HIFRSBDPSA-N 2 0 276.424 2.858 20 0 CFADRP COC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCCC1 ZINC000357859201 382353004 /nfs/dbraw/zinc/35/30/04/382353004.db2.gz WARNUNQHFMOKAS-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420302973 382353344 /nfs/dbraw/zinc/35/33/44/382353344.db2.gz KDVHSLINTBNSQJ-RHSMWYFYSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420303430 382354052 /nfs/dbraw/zinc/35/40/52/382354052.db2.gz KIEHBNAQGFLWSX-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420304910 382354227 /nfs/dbraw/zinc/35/42/27/382354227.db2.gz JLOWTIRJQYIAIL-BBWFWOEESA-N 2 0 288.435 2.687 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3ccsc3)C[C@@H]21 ZINC000420302410 382354302 /nfs/dbraw/zinc/35/43/02/382354302.db2.gz FYPCKDHCDXLFQS-SOUVJXGZSA-N 2 0 264.438 2.740 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCC1 ZINC000357868463 382355727 /nfs/dbraw/zinc/35/57/27/382355727.db2.gz FUTHNKQEQDTRJP-BZUAXINKSA-N 2 0 294.483 2.902 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C)CC2)cc1 ZINC000420309917 382357847 /nfs/dbraw/zinc/35/78/47/382357847.db2.gz UJHZAIWVZAYVJI-ZBFHGGJFSA-N 2 0 276.424 2.860 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420308426 382358314 /nfs/dbraw/zinc/35/83/14/382358314.db2.gz SDVCHMCXTUTIFS-SJORKVTESA-N 2 0 260.425 2.939 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420309605 382358541 /nfs/dbraw/zinc/35/85/41/382358541.db2.gz OUTSPVMOBPGHIN-YUTCNCBUSA-N 2 0 262.422 2.578 20 0 CFADRP CCC[NH+](CCC)CCCNC(=[NH2+])N1CCC(C)CC1 ZINC000303391470 382359027 /nfs/dbraw/zinc/35/90/27/382359027.db2.gz DXOJDIINAHYLOO-UHFFFAOYSA-N 2 0 282.476 2.755 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CC[C@@H]1CCCO1)CC2)C1CC1 ZINC000364968348 382359065 /nfs/dbraw/zinc/35/90/65/382359065.db2.gz DBOHHNUYASGZOL-WBVHZDCISA-N 2 0 292.467 2.752 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1 ZINC000420311863 382359596 /nfs/dbraw/zinc/35/95/96/382359596.db2.gz WEHKCWYYXOKQOT-SQWLQELKSA-N 2 0 276.424 2.858 20 0 CFADRP CC(C)[C@H](CO)[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420315166 382361478 /nfs/dbraw/zinc/36/14/78/382361478.db2.gz ZWLYPWJPNJLOEU-AEFFLSMTSA-N 2 0 290.451 2.505 20 0 CFADRP CC[C@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CCS1 ZINC000420314110 382362269 /nfs/dbraw/zinc/36/22/69/382362269.db2.gz YTUGOXXFDMGMHT-HOCLYGCPSA-N 2 0 294.464 2.565 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CS1 ZINC000365194854 382363101 /nfs/dbraw/zinc/36/31/01/382363101.db2.gz CXJQLPWIXZTEFD-XQLPTFJDSA-N 2 0 268.470 2.733 20 0 CFADRP COc1ccccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000377883806 382364257 /nfs/dbraw/zinc/36/42/57/382364257.db2.gz LJQBINPGVIYNHN-INIZCTEOSA-N 2 0 288.435 2.859 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420318699 382364969 /nfs/dbraw/zinc/36/49/69/382364969.db2.gz OPDCXWGNYGIQEC-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2c(s1)CCCC2 ZINC000420319883 382366694 /nfs/dbraw/zinc/36/66/94/382366694.db2.gz PTZMLXYXOPCDGF-ZDUSSCGKSA-N 2 0 293.480 2.843 20 0 CFADRP Cc1nc2c(s1)[C@H]([N@H+](C)CC[C@H]1CC[NH2+]C1)CCC2 ZINC000420319119 382367466 /nfs/dbraw/zinc/36/74/66/382367466.db2.gz OWPMSUHLKDEJLO-TZMCWYRMSA-N 2 0 279.453 2.760 20 0 CFADRP C[N@H+](CCCOc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420322095 382368214 /nfs/dbraw/zinc/36/82/14/382368214.db2.gz RWYRYKMUAFIPOF-INIZCTEOSA-N 2 0 276.424 2.777 20 0 CFADRP C[N@H+](CCCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420322933 382369352 /nfs/dbraw/zinc/36/93/52/382369352.db2.gz SVHUCIFAJLHBII-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420322511 382369433 /nfs/dbraw/zinc/36/94/33/382369433.db2.gz SPBHFDVVLCUMPR-LBPRGKRZSA-N 2 0 267.442 2.666 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000420326810 382370524 /nfs/dbraw/zinc/37/05/24/382370524.db2.gz XTWOZGHDTMRBIL-UKRRQHHQSA-N 2 0 264.413 2.714 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC000420326786 382371187 /nfs/dbraw/zinc/37/11/87/382371187.db2.gz XRKYTQQCSGXRHM-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP CCc1noc(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334247 382373421 /nfs/dbraw/zinc/37/34/21/382373421.db2.gz IXOFMLHSZGLMDS-INIZCTEOSA-N 2 0 277.412 2.509 20 0 CFADRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000420339878 382374780 /nfs/dbraw/zinc/37/47/80/382374780.db2.gz ZEXMQEKTYOWHAC-ZIAGYGMSSA-N 2 0 291.439 2.794 20 0 CFADRP C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)CC1CCOCC1 ZINC000420344210 382377303 /nfs/dbraw/zinc/37/73/03/382377303.db2.gz SSPZBKIZEJIFMV-UHFFFAOYSA-N 2 0 280.456 2.659 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)CCO1 ZINC000357925688 382377619 /nfs/dbraw/zinc/37/76/19/382377619.db2.gz CDXNJWSFODPUNY-GOSISDBHSA-N 2 0 282.387 2.513 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526456 382381196 /nfs/dbraw/zinc/38/11/96/382381196.db2.gz NTMACXZBIMCIAC-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000420359839 382382142 /nfs/dbraw/zinc/38/21/42/382382142.db2.gz KXNBTLKAHNDRFS-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420364142 382385597 /nfs/dbraw/zinc/38/55/97/382385597.db2.gz CRBDWNCSKAGYBM-HIFRSBDPSA-N 2 0 289.423 2.685 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCC[NH2+]C)CC1)CC(C)C ZINC000420363696 382385752 /nfs/dbraw/zinc/38/57/52/382385752.db2.gz BXSDYUWQRQKIAQ-UHFFFAOYSA-N 3 0 283.504 2.676 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420364003 382385968 /nfs/dbraw/zinc/38/59/68/382385968.db2.gz CIPFFYBTHQCMEY-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000420365461 382387895 /nfs/dbraw/zinc/38/78/95/382387895.db2.gz SEEZTVOTOPDIMK-CYBMUJFWSA-N 2 0 278.444 2.529 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420367753 382389483 /nfs/dbraw/zinc/38/94/83/382389483.db2.gz VZKSGHXJERICMJ-WMZOPIPTSA-N 2 0 287.451 2.953 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000420374279 382390806 /nfs/dbraw/zinc/39/08/06/382390806.db2.gz HJPHVZYQGILELN-IAGOWNOFSA-N 2 0 280.456 2.785 20 0 CFADRP Fc1cccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420369548 382390964 /nfs/dbraw/zinc/39/09/64/382390964.db2.gz LEFOEYBJISISDJ-QGZVFWFLSA-N 2 0 276.399 2.834 20 0 CFADRP CCc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374888 382392585 /nfs/dbraw/zinc/39/25/85/382392585.db2.gz OCORWSUCHTVPBX-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP C(C[N@@H+]1CCO[C@@H](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420375521 382392611 /nfs/dbraw/zinc/39/26/11/382392611.db2.gz POUJPEXEYMMXHR-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420376439 382392941 /nfs/dbraw/zinc/39/29/41/382392941.db2.gz JVQKBDMNELRXOT-ZBFHGGJFSA-N 2 0 276.424 2.545 20 0 CFADRP c1ccc(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420380577 382394061 /nfs/dbraw/zinc/39/40/61/382394061.db2.gz CFMHCWCUNSOYQK-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000352556491 382394741 /nfs/dbraw/zinc/39/47/41/382394741.db2.gz AQMFCNSMFCULKG-UHFFFAOYSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1COc2ccccc2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420379378 382395062 /nfs/dbraw/zinc/39/50/62/382395062.db2.gz VNQJISBFOYJVMU-LSDHHAIUSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000680470636 542327639 /nfs/dbraw/zinc/32/76/39/542327639.db2.gz KNAKYFHIFHRCGF-DGCLKSJQSA-N 2 0 281.469 2.875 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCc2ccccc2)cc1 ZINC000420297434 382347862 /nfs/dbraw/zinc/34/78/62/382347862.db2.gz DIXSOCGBBSWWDQ-SFHVURJKSA-N 2 0 298.430 2.912 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357847279 382348438 /nfs/dbraw/zinc/34/84/38/382348438.db2.gz ITYLFLAZBKMTFQ-RRFJBIMHSA-N 2 0 282.472 2.758 20 0 CFADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000365633323 382426842 /nfs/dbraw/zinc/42/68/42/382426842.db2.gz VBMKWYJJMYCKCP-CYBMUJFWSA-N 2 0 286.379 2.665 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305179326 382431051 /nfs/dbraw/zinc/43/10/51/382431051.db2.gz VYWORYQGCHZRDT-BZUAXINKSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+](C[C@@H]1CCOc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000378336266 382439160 /nfs/dbraw/zinc/43/91/60/382439160.db2.gz RXSRDQRQTWYTND-HOTGVXAUSA-N 2 0 288.435 2.826 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420405832 382399990 /nfs/dbraw/zinc/39/99/90/382399990.db2.gz MZHMMXXNAIULQX-MNOVXSKESA-N 2 0 288.313 2.845 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420405859 382400347 /nfs/dbraw/zinc/40/03/47/382400347.db2.gz UEHXUGSPFQJJDY-CVEARBPZSA-N 2 0 296.455 2.574 20 0 CFADRP [NH3+]CCOCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420407779 382402074 /nfs/dbraw/zinc/40/20/74/382402074.db2.gz OUMLUOLUVLXWKC-OAHLLOKOSA-N 2 0 282.815 2.746 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352671221 382446780 /nfs/dbraw/zinc/44/67/80/382446780.db2.gz HYNWDUDXNDAOFY-IAGOWNOFSA-N 2 0 285.391 2.526 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000358026833 382416920 /nfs/dbraw/zinc/41/69/20/382416920.db2.gz VGXFLKIGDKZYQO-IUODEOHRSA-N 2 0 282.815 2.649 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)[C@H](C)C1 ZINC000358026886 382417245 /nfs/dbraw/zinc/41/72/45/382417245.db2.gz VNVLLAXFCCJVQP-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346684206 382471365 /nfs/dbraw/zinc/47/13/65/382471365.db2.gz RKADRMODFNZOMZ-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000346641827 382452007 /nfs/dbraw/zinc/45/20/07/382452007.db2.gz OTDMZUXOLMNPDR-XHSDSOJGSA-N 2 0 268.445 2.512 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358134909 382463684 /nfs/dbraw/zinc/46/36/84/382463684.db2.gz BRGNDBNMYOIMQF-UAGQMJEPSA-N 2 0 288.435 2.843 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCC2 ZINC000378452165 382465219 /nfs/dbraw/zinc/46/52/19/382465219.db2.gz GFEGUJYTWZJRJT-HZPDHXFCSA-N 2 0 278.440 2.576 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000346677944 382467753 /nfs/dbraw/zinc/46/77/53/382467753.db2.gz LEDGAHKUMZZPDV-HNNXBMFYSA-N 2 0 287.407 2.746 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000346687153 382473074 /nfs/dbraw/zinc/47/30/74/382473074.db2.gz VTGPWYVPZFJLLG-CYBMUJFWSA-N 2 0 292.452 2.943 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346692380 382475568 /nfs/dbraw/zinc/47/55/68/382475568.db2.gz YLXZNWXYIKEXPJ-XJKSGUPXSA-N 2 0 298.434 2.658 20 0 CFADRP CCCOc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346693916 382478364 /nfs/dbraw/zinc/47/83/64/382478364.db2.gz QOKJXKAPGOGROC-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000346695170 382479287 /nfs/dbraw/zinc/47/92/87/382479287.db2.gz YQISNRIQOYFWNH-RDTXWAMCSA-N 2 0 281.403 2.918 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000378590759 382487558 /nfs/dbraw/zinc/48/75/58/382487558.db2.gz QVRAZVXOTYGFCI-CQSZACIVSA-N 2 0 296.846 2.658 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@H]21 ZINC000346821116 382529072 /nfs/dbraw/zinc/52/90/72/382529072.db2.gz LHJPCGSGCPVLJC-USXIJHARSA-N 2 0 296.418 2.636 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)[C@H](C)C1 ZINC000358242602 382523114 /nfs/dbraw/zinc/52/31/14/382523114.db2.gz VYARSMWRXBWUPV-LVQVYYBASA-N 2 0 282.472 2.900 20 0 CFADRP CSC1(C[NH2+][C@H](C)CC(C)C)CC[NH+](C)CC1 ZINC000353194621 382524967 /nfs/dbraw/zinc/52/49/67/382524967.db2.gz PWCRHBFXLMTONH-CYBMUJFWSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c2ccccc21 ZINC000314261340 382525256 /nfs/dbraw/zinc/52/52/56/382525256.db2.gz ZOIAFLWHYFSWLI-ADAWSYLGSA-N 2 0 286.419 2.688 20 0 CFADRP C[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@@]1(C)C[NH3+] ZINC000311185533 382502032 /nfs/dbraw/zinc/50/20/32/382502032.db2.gz BTLKXYRMJUXTII-QMTHXVAHSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H](CC[NH2+]CC1(O)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000379648167 382507562 /nfs/dbraw/zinc/50/75/62/382507562.db2.gz MDHSNHVCUIAATB-MRXNPFEDSA-N 2 0 290.451 2.792 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)NCC[NH2+]C(C)(C)C ZINC000379621051 382507962 /nfs/dbraw/zinc/50/79/62/382507962.db2.gz DVDFUKGMQWQDNY-UHFFFAOYSA-N 2 0 291.483 2.875 20 0 CFADRP COc1ncc(CNCCC[N@H+](C)C2CCCCC2)s1 ZINC000312299923 382513861 /nfs/dbraw/zinc/51/38/61/382513861.db2.gz AVKCZEFDGYVMJK-UHFFFAOYSA-N 2 0 297.468 2.896 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@H](C)C1 ZINC000346795636 382514385 /nfs/dbraw/zinc/51/43/85/382514385.db2.gz NDMDWVGEERURRH-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C(C)(C)C1 ZINC000380547173 382514693 /nfs/dbraw/zinc/51/46/93/382514693.db2.gz XHQWYCSBBNKLRC-CYBMUJFWSA-N 2 0 258.409 2.953 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CCOC)Cc2ccco2)CC1 ZINC000346818778 382528845 /nfs/dbraw/zinc/52/88/45/382528845.db2.gz WSLVTAFUQNBFAR-INIZCTEOSA-N 2 0 294.439 2.691 20 0 CFADRP Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000366483259 382517981 /nfs/dbraw/zinc/51/79/81/382517981.db2.gz PYDKYRUSAXQKPC-MRVWCRGKSA-N 2 0 293.480 2.944 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@H](C)O1 ZINC000294649027 382518503 /nfs/dbraw/zinc/51/85/03/382518503.db2.gz BPWGKQKJNZNOQZ-MXSMSXNCSA-N 2 0 288.435 2.979 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3cnc(C4CCC4)s3)C[C@@H]12 ZINC000346843205 382539450 /nfs/dbraw/zinc/53/94/50/382539450.db2.gz XMMIKCCZZFRMTM-IACUBPJLSA-N 2 0 277.437 2.580 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000346844150 382540784 /nfs/dbraw/zinc/54/07/84/382540784.db2.gz YWBHKRUGHLQHSI-UKRRQHHQSA-N 2 0 288.391 2.552 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccn1 ZINC000353388402 382542164 /nfs/dbraw/zinc/54/21/64/382542164.db2.gz RHRCWYBEXYVTEM-RBSFLKMASA-N 2 0 291.464 2.766 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346849287 382544353 /nfs/dbraw/zinc/54/43/53/382544353.db2.gz SAMHFRSSIDQQIB-UBDQQSCGSA-N 2 0 272.436 2.924 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346851343 382544407 /nfs/dbraw/zinc/54/44/07/382544407.db2.gz JCBFFGRAQKCNAW-RYQLBKOJSA-N 2 0 288.435 2.891 20 0 CFADRP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000383425439 382544578 /nfs/dbraw/zinc/54/45/78/382544578.db2.gz UDNDYRHCTVXQJR-IYBDPMFKSA-N 2 0 274.408 2.517 20 0 CFADRP C(C1CCCCC1)[N@H+]1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346858574 382547088 /nfs/dbraw/zinc/54/70/88/382547088.db2.gz RGTMTUOEILXWGX-SFHVURJKSA-N 2 0 293.499 2.574 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@@]1(C)C[NH3+] ZINC000383735545 382547441 /nfs/dbraw/zinc/54/74/41/382547441.db2.gz GQSPKDLYDWTKJZ-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384111654 382548401 /nfs/dbraw/zinc/54/84/01/382548401.db2.gz IUCGWBKOPXFTTI-GUYCJALGSA-N 2 0 258.409 2.953 20 0 CFADRP CC/C=C/CC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000366741344 382548324 /nfs/dbraw/zinc/54/83/24/382548324.db2.gz UVVGZINIGPRJRG-SNAWJCMRSA-N 2 0 280.456 2.918 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1OC ZINC000358294283 382552154 /nfs/dbraw/zinc/55/21/54/382552154.db2.gz YSPWPYRSTOKVAY-QKPAOTATSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000353494102 382554368 /nfs/dbraw/zinc/55/43/68/382554368.db2.gz YORANPIVUSVVTF-KURKYZTESA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353494804 382554418 /nfs/dbraw/zinc/55/44/18/382554418.db2.gz FLXYJCUXLZWOIV-XMTFNYHQSA-N 2 0 293.499 2.569 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C12CCC2 ZINC000353533045 382557202 /nfs/dbraw/zinc/55/72/02/382557202.db2.gz XDUYNPRDBGDDRQ-JZAWBGDQSA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000358341402 382577125 /nfs/dbraw/zinc/57/71/25/382577125.db2.gz NLRYNKHKXQIHMZ-OKZBNKHCSA-N 2 0 293.499 2.713 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000385347986 382569702 /nfs/dbraw/zinc/56/97/02/382569702.db2.gz ZSKAJUVPXMXIKW-ROKHWSDSSA-N 2 0 256.459 2.640 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346823820 382530066 /nfs/dbraw/zinc/53/00/66/382530066.db2.gz FVHDWSCPPSMJSZ-QEJZJMRPSA-N 2 0 293.480 2.901 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCN1C ZINC000353256553 382530982 /nfs/dbraw/zinc/53/09/82/382530982.db2.gz ZQSZXYCQCNPPLF-WRQOLXDDSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@@](C)(C[NH2+]CCN(C)Cc1ccccc1)OC ZINC000319056997 382532914 /nfs/dbraw/zinc/53/29/14/382532914.db2.gz NYVHNVAHTAOFLK-INIZCTEOSA-N 2 0 264.413 2.523 20 0 CFADRP COC1(C[NH2+]CC2(C)CC[NH+](C)CC2)CCCCC1 ZINC000319956247 382536085 /nfs/dbraw/zinc/53/60/85/382536085.db2.gz VPXMYGJUWDPBBM-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000386772321 382592252 /nfs/dbraw/zinc/59/22/52/382592252.db2.gz IFXHJCXZZHFFQF-AEFFLSMTSA-N 2 0 288.435 2.756 20 0 CFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)[NH3+] ZINC000346972667 382593524 /nfs/dbraw/zinc/59/35/24/382593524.db2.gz HKPFYGDWBYSQJU-KRWDZBQOSA-N 2 0 289.467 2.568 20 0 CFADRP CC(C)([NH2+]CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000346972672 382593759 /nfs/dbraw/zinc/59/37/59/382593759.db2.gz HLDFCVFNJYAXJX-UHFFFAOYSA-N 2 0 250.361 2.650 20 0 CFADRP CCCC[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353652851 382596068 /nfs/dbraw/zinc/59/60/68/382596068.db2.gz XXTOFEYSGYXHGS-ZDUSSCGKSA-N 2 0 258.475 2.982 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000353656044 382596827 /nfs/dbraw/zinc/59/68/27/382596827.db2.gz ZJFMWKMPENCQSL-GOSISDBHSA-N 2 0 287.451 2.740 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCC(C)C)[C@@H](C)C1 ZINC000358387708 382597604 /nfs/dbraw/zinc/59/76/04/382597604.db2.gz UPMIXEZGDZPKAU-UONOGXRCSA-N 2 0 258.475 2.696 20 0 CFADRP Cc1nc(C)c(C[NH2+]C(C)(C)CCC[NH+](C)C)s1 ZINC000387339281 382597766 /nfs/dbraw/zinc/59/77/66/382597766.db2.gz PVEJLDKNYZETTE-UHFFFAOYSA-N 2 0 269.458 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H]2CCC[C@H]21 ZINC000353666896 382601130 /nfs/dbraw/zinc/60/11/30/382601130.db2.gz AJHWRPPUJBXBFY-ZQDZILKHSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000353676817 382602001 /nfs/dbraw/zinc/60/20/01/382602001.db2.gz WVFDTVBTAPAPJF-WRWGMCAJSA-N 2 0 264.335 2.647 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000388330168 382605973 /nfs/dbraw/zinc/60/59/73/382605973.db2.gz DQFNQQLVBAINBS-UGGSBELWSA-N 2 0 260.381 2.534 20 0 CFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000388740948 382609335 /nfs/dbraw/zinc/60/93/35/382609335.db2.gz JJGPQAZNEICVQE-OAGGEKHMSA-N 2 0 269.477 2.616 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392275179 382621928 /nfs/dbraw/zinc/62/19/28/382621928.db2.gz GGLHSTVZHPMPCX-AWEZNQCLSA-N 2 0 274.408 2.916 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CN1Cc1ccccc1 ZINC000189561431 382624671 /nfs/dbraw/zinc/62/46/71/382624671.db2.gz CDLGSBYDSIJYGX-NJAFHUGGSA-N 2 0 286.419 2.932 20 0 CFADRP CC(C)OC1CC([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000189575720 382626649 /nfs/dbraw/zinc/62/66/49/382626649.db2.gz IFQSVEZAKKBUHT-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000396453123 382631411 /nfs/dbraw/zinc/63/14/11/382631411.db2.gz KQCJOMYKUVXNCO-CYBMUJFWSA-N 2 0 271.408 2.988 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCCCC1 ZINC000367620590 382579318 /nfs/dbraw/zinc/57/93/18/382579318.db2.gz YJNXZXKGWRMSRE-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000358347813 382581256 /nfs/dbraw/zinc/58/12/56/382581256.db2.gz GCUACNVSPPXGIW-UYSNPLJNSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386066409 382582389 /nfs/dbraw/zinc/58/23/89/382582389.db2.gz YNTRWQUURKWZGZ-ZBFHGGJFSA-N 2 0 268.445 2.846 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000386074758 382582548 /nfs/dbraw/zinc/58/25/48/382582548.db2.gz FYWNJDWEZDNNMM-JQFCIGGWSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933511 382645866 /nfs/dbraw/zinc/64/58/66/382645866.db2.gz XMBBHXPVXNRHET-UXLLHSPISA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190423125 382667591 /nfs/dbraw/zinc/66/75/91/382667591.db2.gz VYJUQMUYLWHSCC-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP FC(F)COCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000190900937 382684373 /nfs/dbraw/zinc/68/43/73/382684373.db2.gz GDFSZONYQMIHIA-UHFFFAOYSA-N 2 0 298.377 2.522 20 0 CFADRP C[N@H+](CCSC[C@@H]1CC[NH+](C)C1)Cc1ccccc1 ZINC000193633709 382721815 /nfs/dbraw/zinc/72/18/15/382721815.db2.gz FUAPNZKSJJKGGY-MRXNPFEDSA-N 2 0 278.465 2.803 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000575137246 382728795 /nfs/dbraw/zinc/72/87/95/382728795.db2.gz WUEXORHLUIPJMS-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccccc1-c1cnc(C[NH+]2CCC(C[NH3+])CC2)o1 ZINC000575185379 382730587 /nfs/dbraw/zinc/73/05/87/382730587.db2.gz YAWVUPMOFOTMAZ-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000336846763 382734365 /nfs/dbraw/zinc/73/43/65/382734365.db2.gz QJRCJCSGBAPDOD-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000337134991 382766023 /nfs/dbraw/zinc/76/60/23/382766023.db2.gz MCOLKXDJWYEKIR-HZPDHXFCSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000337197609 382775121 /nfs/dbraw/zinc/77/51/21/382775121.db2.gz YTKCHBWCCAPCFK-VVLHAWIVSA-N 2 0 282.472 2.852 20 0 CFADRP c1cc2c(cc1C[NH+]1C[C@@H]3CCC[C@H]3C1)C[NH2+]CC2 ZINC000211980525 382775736 /nfs/dbraw/zinc/77/57/36/382775736.db2.gz HXPQDEXYLIKFCG-HOTGVXAUSA-N 2 0 256.393 2.564 20 0 CFADRP c1cc2c(cc1C[NH+]1C[C@H]3CCC[C@@H]3C1)C[NH2+]CC2 ZINC000211980446 382775740 /nfs/dbraw/zinc/77/57/40/382775740.db2.gz HXPQDEXYLIKFCG-HZPDHXFCSA-N 2 0 256.393 2.564 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000337234375 382781863 /nfs/dbraw/zinc/78/18/63/382781863.db2.gz AJTKRRCJSFTYQC-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@H]1CCC[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000194536735 382747199 /nfs/dbraw/zinc/74/71/99/382747199.db2.gz WMNHENSEPWZSCX-YHUYYLMFSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Cl)c1 ZINC000219307532 382793092 /nfs/dbraw/zinc/79/30/92/382793092.db2.gz DKSVMAZFGWBZOC-LBPRGKRZSA-N 2 0 270.804 2.569 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000194956903 382758358 /nfs/dbraw/zinc/75/83/58/382758358.db2.gz OWHNLKLEZBAHNP-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337084515 382759270 /nfs/dbraw/zinc/75/92/70/382759270.db2.gz YSRJIGQCVNCKKS-MSOLQXFVSA-N 2 0 290.451 2.723 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1csc(Cl)c1 ZINC000219311606 382793217 /nfs/dbraw/zinc/79/32/17/382793217.db2.gz NBLBZGBVBJFZJV-SNVBAGLBSA-N 2 0 276.833 2.630 20 0 CFADRP CCCc1nc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000228477729 382846752 /nfs/dbraw/zinc/84/67/52/382846752.db2.gz FUFVXIPVKFEZQC-IACUBPJLSA-N 2 0 279.453 2.655 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575762469 382798676 /nfs/dbraw/zinc/79/86/76/382798676.db2.gz VJMWWKQGWMSNJU-CWRNSKLLSA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000221916160 382800024 /nfs/dbraw/zinc/80/00/24/382800024.db2.gz JINDQZAARLNTOH-AWEZNQCLSA-N 2 0 252.402 2.921 20 0 CFADRP CCC[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000337318371 382800213 /nfs/dbraw/zinc/80/02/13/382800213.db2.gz MKVKAKGAECXEIG-MRXNPFEDSA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000337323762 382801417 /nfs/dbraw/zinc/80/14/17/382801417.db2.gz SPCXUVXPLNXHTB-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000337330075 382803013 /nfs/dbraw/zinc/80/30/13/382803013.db2.gz GDVPZRWRDYMIMX-HNNXBMFYSA-N 2 0 294.439 2.530 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000337338322 382805320 /nfs/dbraw/zinc/80/53/20/382805320.db2.gz NTUILWRMBUBWTE-CYBMUJFWSA-N 2 0 282.403 2.790 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000576088264 382809725 /nfs/dbraw/zinc/80/97/25/382809725.db2.gz LHWXCGXUEQZTRJ-GFCCVEGCSA-N 2 0 275.371 2.738 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)oc1C ZINC000337373641 382811119 /nfs/dbraw/zinc/81/11/19/382811119.db2.gz AAZFNYZMZUEMQJ-AWEZNQCLSA-N 2 0 293.455 2.573 20 0 CFADRP CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H]1CCCC[NH+]1C(C)C ZINC000576152074 382812134 /nfs/dbraw/zinc/81/21/34/382812134.db2.gz BHXPXBPUZQGBOD-DLBZAZTESA-N 2 0 281.488 2.521 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000337381374 382812868 /nfs/dbraw/zinc/81/28/68/382812868.db2.gz DOAMSEBMHVWYPO-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000337384716 382813290 /nfs/dbraw/zinc/81/32/90/382813290.db2.gz GZRUIJQILFIYAG-HUUCEWRRSA-N 2 0 293.455 2.573 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000576359771 382820413 /nfs/dbraw/zinc/82/04/13/382820413.db2.gz LIVNBOCOGRPRHO-IAGOWNOFSA-N 2 0 293.499 2.892 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000337434420 382820669 /nfs/dbraw/zinc/82/06/69/382820669.db2.gz WBZRCUZAJWWCPB-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2CCC(C)CC2)CC1 ZINC000576418982 382822159 /nfs/dbraw/zinc/82/21/59/382822159.db2.gz KZMHMSPESUBTLA-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)[NH+](CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000576515231 382825571 /nfs/dbraw/zinc/82/55/71/382825571.db2.gz FPBSTQDZMUTUNF-CVEARBPZSA-N 2 0 297.487 2.519 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000337472075 382826296 /nfs/dbraw/zinc/82/62/96/382826296.db2.gz NYEVSPCVKLXAQE-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000226325677 382826616 /nfs/dbraw/zinc/82/66/16/382826616.db2.gz VOKRSDXKRISJSK-KBPBESRZSA-N 2 0 262.397 2.817 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000576566234 382827334 /nfs/dbraw/zinc/82/73/34/382827334.db2.gz QSIXCTRONDSJKG-RDBSUJKOSA-N 2 0 280.387 2.571 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000337477508 382827837 /nfs/dbraw/zinc/82/78/37/382827837.db2.gz PKJCHOVGFSQSJL-ZACQAIPSSA-N 2 0 292.467 2.677 20 0 CFADRP C[N@@H+](Cc1cc2ccccc2o1)C[C@H]1CCC[NH2+]C1 ZINC000226439007 382828951 /nfs/dbraw/zinc/82/89/51/382828951.db2.gz MIBZQYGMRJCVHH-ZDUSSCGKSA-N 2 0 258.365 2.864 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(F)c2F)CC1 ZINC000227330743 382835563 /nfs/dbraw/zinc/83/55/63/382835563.db2.gz LNQHACWDTDRYDY-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000227327607 382835715 /nfs/dbraw/zinc/83/57/15/382835715.db2.gz QKALCGRHVCXJIB-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227329896 382835804 /nfs/dbraw/zinc/83/58/04/382835804.db2.gz WFOUVKAEHFBFJA-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000337532042 382837938 /nfs/dbraw/zinc/83/79/38/382837938.db2.gz VTWWEMLEIZXFNN-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCOC)C1 ZINC000337535554 382838449 /nfs/dbraw/zinc/83/84/49/382838449.db2.gz XSMVNVHTSWHRGW-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337538865 382839230 /nfs/dbraw/zinc/83/92/30/382839230.db2.gz HQCGRCLIWNBCSZ-OLZOCXBDSA-N 2 0 276.371 2.611 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]21 ZINC000230049009 382855099 /nfs/dbraw/zinc/85/50/99/382855099.db2.gz OYKGHVXNPZKDKN-BHYGNILZSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@@H]21 ZINC000230125907 382855951 /nfs/dbraw/zinc/85/59/51/382855951.db2.gz AJXCATWOADMKLC-JIMOISOXSA-N 2 0 270.829 2.961 20 0 CFADRP CCc1ccc(CC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000577404111 382858476 /nfs/dbraw/zinc/85/84/76/382858476.db2.gz DPONWRZBEKSVGT-UHFFFAOYSA-N 2 0 260.425 2.852 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337765325 382863301 /nfs/dbraw/zinc/86/33/01/382863301.db2.gz SBLIOFMSHRXNQP-RDJZCZTQSA-N 2 0 260.425 2.926 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000577655230 382866818 /nfs/dbraw/zinc/86/68/18/382866818.db2.gz CYCCYILHKJYWCZ-HRCADAONSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000232623724 382869031 /nfs/dbraw/zinc/86/90/31/382869031.db2.gz FNFJRWRZOPYPJV-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000577768520 382870240 /nfs/dbraw/zinc/87/02/40/382870240.db2.gz GGOVARSWAMKFIF-TWMKSMIVSA-N 2 0 274.408 2.766 20 0 CFADRP CCOC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000233770515 382872062 /nfs/dbraw/zinc/87/20/62/382872062.db2.gz SCRKJCXXAQJIGZ-KRWDZBQOSA-N 2 0 291.439 2.701 20 0 CFADRP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000235412541 382880641 /nfs/dbraw/zinc/88/06/41/382880641.db2.gz PHMGIAFSMQXBLE-SJORKVTESA-N 2 0 287.451 2.505 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000578022876 382883469 /nfs/dbraw/zinc/88/34/69/382883469.db2.gz GQPZNOPGVPCPHH-IRXDYDNUSA-N 2 0 292.467 2.984 20 0 CFADRP CC1CCC(O)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000578127494 382893753 /nfs/dbraw/zinc/89/37/53/382893753.db2.gz ZEYIHFJVQJWAEK-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP c1cncc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000533427202 382897522 /nfs/dbraw/zinc/89/75/22/382897522.db2.gz OTAGQWBRTKAYJO-QGZVFWFLSA-N 2 0 273.424 2.574 20 0 CFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414817922 532961032 /nfs/dbraw/zinc/96/10/32/532961032.db2.gz CBAKDXIPZHLENB-LLVKDONJSA-N 2 0 292.814 2.567 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000578337450 382912744 /nfs/dbraw/zinc/91/27/44/382912744.db2.gz GPMMSCNRYYGFKV-KZNAEPCWSA-N 2 0 287.451 2.683 20 0 CFADRP c1ccc(SCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000578627219 382938029 /nfs/dbraw/zinc/93/80/29/382938029.db2.gz QKFYVLJRURGJOR-MRXNPFEDSA-N 2 0 276.449 2.854 20 0 CFADRP C(=C\c1ccncc1)\C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000494943733 382944531 /nfs/dbraw/zinc/94/45/31/382944531.db2.gz ZJAFSYQVHWVKNO-CWIOURORSA-N 2 0 294.402 2.924 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCSC1 ZINC000494971620 382948316 /nfs/dbraw/zinc/94/83/16/382948316.db2.gz HVLXYCVRGUVNLD-KGLIPLIRSA-N 2 0 256.459 2.546 20 0 CFADRP FC(F)C1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000442723070 382949058 /nfs/dbraw/zinc/94/90/58/382949058.db2.gz YMYVQEIAQXAJGJ-UHFFFAOYSA-N 2 0 290.398 2.512 20 0 CFADRP C(=C/c1ccncc1)\C[NH+]1CCC(n2ccnc2)CC1 ZINC000494990713 382950843 /nfs/dbraw/zinc/95/08/43/382950843.db2.gz BWBVGGLSEIOLHN-OWOJBTEDSA-N 2 0 268.364 2.628 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766606 382953395 /nfs/dbraw/zinc/95/33/95/382953395.db2.gz LBUXYLNSCUNHRN-BJCAYOAGSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000421865983 382954588 /nfs/dbraw/zinc/95/45/88/382954588.db2.gz ACROMAVCLYSKPE-JCYILVPMSA-N 2 0 298.434 2.962 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC000578453205 382923100 /nfs/dbraw/zinc/92/31/00/382923100.db2.gz JJBQATIAWMSFSR-OLZOCXBDSA-N 2 0 293.480 2.814 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C)o1 ZINC000578482644 382924538 /nfs/dbraw/zinc/92/45/38/382924538.db2.gz GSWATCCVHQQZRS-ZBFHGGJFSA-N 2 0 294.439 2.784 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000578518512 382928534 /nfs/dbraw/zinc/92/85/34/382928534.db2.gz MYLDAVZTCRMSKT-JSGCOSHPSA-N 2 0 252.427 2.788 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[NH+]2CCCC2)CCCCC1 ZINC000421819629 382933307 /nfs/dbraw/zinc/93/33/07/382933307.db2.gz ICYDEGGVERZDMT-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118191 532963283 /nfs/dbraw/zinc/96/32/83/532963283.db2.gz ZGBHIIDYEVVRSI-NEPJUHHUSA-N 2 0 277.387 2.955 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCC2)CC1 ZINC000421822686 382934397 /nfs/dbraw/zinc/93/43/97/382934397.db2.gz XTBCGMWHFPOTGP-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)[C@@H]1CCC[NH2+]1 ZINC000422698647 382974908 /nfs/dbraw/zinc/97/49/08/382974908.db2.gz AITJRZBVSWDRHZ-KGLIPLIRSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422730046 382976453 /nfs/dbraw/zinc/97/64/53/382976453.db2.gz JEGMHYBBDJTCTA-UXLLHSPISA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)C1C[NH2+]C1 ZINC000423021105 383016541 /nfs/dbraw/zinc/01/65/41/383016541.db2.gz DJOSRUOGXONCGL-SNVBAGLBSA-N 2 0 282.790 2.708 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000579042849 382977621 /nfs/dbraw/zinc/97/76/21/382977621.db2.gz CYACOQSFHZQOGO-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422793132 382978772 /nfs/dbraw/zinc/97/87/72/382978772.db2.gz RRSTZGIDOHTFSC-QKPAOTATSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000422794589 382980784 /nfs/dbraw/zinc/98/07/84/382980784.db2.gz UMCGLOSIXUWIFL-JKJDWNRSSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000422802161 382980848 /nfs/dbraw/zinc/98/08/48/382980848.db2.gz BANJBQRJQQKGCL-UBDQQSCGSA-N 2 0 288.435 2.803 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422811497 382981062 /nfs/dbraw/zinc/98/10/62/382981062.db2.gz PASVLTOKMTUGMB-WCXIOVBPSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422805870 382981196 /nfs/dbraw/zinc/98/11/96/382981196.db2.gz JXUACGVCJAHSAR-HFTRVMKXSA-N 2 0 288.435 2.660 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799901 382981382 /nfs/dbraw/zinc/98/13/82/382981382.db2.gz AGZVVSDCNNNARG-FXUDXRNXSA-N 2 0 280.456 2.844 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1(CC)CC ZINC000422837820 382981521 /nfs/dbraw/zinc/98/15/21/382981521.db2.gz MYPHHZBNDXTNRA-RFQIPJPRSA-N 2 0 256.434 2.686 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)CCC[NH3+])C1CCCC1 ZINC000422833621 382981815 /nfs/dbraw/zinc/98/18/15/382981815.db2.gz ZBBPJOVSWSXPDG-UKRRQHHQSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000422838457 382982124 /nfs/dbraw/zinc/98/21/24/382982124.db2.gz OLKBJZZWNSRUSL-MUQADHOPSA-N 2 0 289.467 2.612 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000422822416 382982438 /nfs/dbraw/zinc/98/24/38/382982438.db2.gz JYFWLVMPPRBYNY-BZUAXINKSA-N 2 0 268.445 2.689 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422840618 382984193 /nfs/dbraw/zinc/98/41/93/382984193.db2.gz UEMNITQDHNOAAB-CXMPNGEBSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000422855792 382984323 /nfs/dbraw/zinc/98/43/23/382984323.db2.gz FFJNSZGBBCOONK-DTDBQYNISA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422934107 382988578 /nfs/dbraw/zinc/98/85/78/382988578.db2.gz FIAAPDCXQVNJTP-GHMZBOCLSA-N 2 0 297.240 2.578 20 0 CFADRP CSc1ccc(CN(C)CCC[NH+](C)C)s1 ZINC000579181158 382988714 /nfs/dbraw/zinc/98/87/14/382988714.db2.gz TWOYSJFVXVDUML-UHFFFAOYSA-N 2 0 258.456 2.854 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422966575 382989925 /nfs/dbraw/zinc/98/99/25/382989925.db2.gz NTFVGHQRGHYURG-BYCMXARLSA-N 2 0 278.371 2.756 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCSC(C)C)C1 ZINC000338318896 382990409 /nfs/dbraw/zinc/99/04/09/382990409.db2.gz SQARKDBWQGHUPV-HNNXBMFYSA-N 2 0 288.501 2.561 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000548883382 382990926 /nfs/dbraw/zinc/99/09/26/382990926.db2.gz QFIUDVQLSJNNCD-UHFFFAOYSA-N 2 0 252.324 2.649 20 0 CFADRP CC(C)COC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccco1 ZINC000422971494 382991502 /nfs/dbraw/zinc/99/15/02/382991502.db2.gz IUCRINYROYONKA-KGLIPLIRSA-N 2 0 268.401 2.710 20 0 CFADRP CC(C)[NH+]1CCC(NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000446857867 382992712 /nfs/dbraw/zinc/99/27/12/382992712.db2.gz XFWXFBLHSQFOBQ-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[nH]n1 ZINC000579225543 382993756 /nfs/dbraw/zinc/99/37/56/382993756.db2.gz ORYNBBZTDNCZOO-OSMBCOQSSA-N 2 0 290.455 2.550 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Nc1ccccc1 ZINC000422981777 382994993 /nfs/dbraw/zinc/99/49/93/382994993.db2.gz UHDMBAZXCZYDQS-XHSDSOJGSA-N 2 0 261.413 2.593 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422981860 382995562 /nfs/dbraw/zinc/99/55/62/382995562.db2.gz UTRDETSYKFZMNG-GVDBMIGSSA-N 2 0 276.424 2.607 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000422992547 383000058 /nfs/dbraw/zinc/00/00/58/383000058.db2.gz RIOKZVJGACQXPP-IAGOWNOFSA-N 2 0 298.434 2.930 20 0 CFADRP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422992266 383000361 /nfs/dbraw/zinc/00/03/61/383000361.db2.gz QYMTUJFENAZFOS-FGTMMUONSA-N 2 0 288.435 2.856 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000422992478 383000443 /nfs/dbraw/zinc/00/04/43/383000443.db2.gz CQIPKHVNMQMQFL-PMPSAXMXSA-N 2 0 270.461 2.948 20 0 CFADRP Cc1c(C)c(C)c(C[NH2+][C@@H](C)C2C[NH2+]C2)c(C)c1C ZINC000422994671 383001031 /nfs/dbraw/zinc/00/10/31/383001031.db2.gz IINRDVYIWWORBC-HNNXBMFYSA-N 2 0 260.425 2.926 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000422995063 383001099 /nfs/dbraw/zinc/00/10/99/383001099.db2.gz WYALYJNYBTYVHD-OTRWWLKZSA-N 2 0 276.424 2.840 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422994447 383001605 /nfs/dbraw/zinc/00/16/05/383001605.db2.gz HPQQTRRUYBKCOB-WBVHZDCISA-N 2 0 272.436 2.987 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)c1 ZINC000422996173 383001726 /nfs/dbraw/zinc/00/17/26/383001726.db2.gz LCDCXYVRKKZIFR-SJORKVTESA-N 2 0 276.424 2.748 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000422996683 383003183 /nfs/dbraw/zinc/00/31/83/383003183.db2.gz MTPFINQDDSCFNM-QEJZJMRPSA-N 2 0 256.434 2.558 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1c[nH+]ccc1N ZINC000422999331 383003197 /nfs/dbraw/zinc/00/31/97/383003197.db2.gz SJSKQIYKKLNXHG-LSDHHAIUSA-N 2 0 290.455 2.655 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005805 383007390 /nfs/dbraw/zinc/00/73/90/383007390.db2.gz SVQCOOIVQISWQH-TZMCWYRMSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccnn2C)C1 ZINC000245565280 383009293 /nfs/dbraw/zinc/00/92/93/383009293.db2.gz ROTNOMLELZZATC-CVEARBPZSA-N 2 0 290.455 2.507 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423012201 383010258 /nfs/dbraw/zinc/01/02/58/383010258.db2.gz KHBQSCGRAQLYPX-JLSDUUJJSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013440 383010976 /nfs/dbraw/zinc/01/09/76/383010976.db2.gz MSUCPHUCGNFGMD-LRDDRELGSA-N 2 0 294.389 2.974 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013423 383011277 /nfs/dbraw/zinc/01/12/77/383011277.db2.gz MRLJZZOGRPXEIB-WDEREUQCSA-N 2 0 268.351 2.712 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCC1Cc2ccccc2C1 ZINC000423013271 383011496 /nfs/dbraw/zinc/01/14/96/383011496.db2.gz MMBONZHSMFLBNX-AWEZNQCLSA-N 2 0 260.425 2.899 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423015064 383012674 /nfs/dbraw/zinc/01/26/74/383012674.db2.gz QJGFJUAZPDBTKO-ZIAGYGMSSA-N 2 0 282.815 2.751 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423016440 383012993 /nfs/dbraw/zinc/01/29/93/383012993.db2.gz SYHPYQUXTAHINN-GDBMZVCRSA-N 2 0 289.423 2.620 20 0 CFADRP Cc1cc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C2CC2)ccc1F ZINC000423017578 383013732 /nfs/dbraw/zinc/01/37/32/383013732.db2.gz WQXFDSYIAUHWHM-ZBEGNZNMSA-N 2 0 262.372 2.783 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245612696 383014441 /nfs/dbraw/zinc/01/44/41/383014441.db2.gz LSWLBZMHBGTWIV-GOEBONIOSA-N 2 0 276.424 2.739 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423019347 383015472 /nfs/dbraw/zinc/01/54/72/383015472.db2.gz VIPAJJQEHHGBJE-ZOWXZIJZSA-N 2 0 268.376 2.619 20 0 CFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423019082 383015549 /nfs/dbraw/zinc/01/55/49/383015549.db2.gz TWPIAVFCRQGIRP-JKIFEVAISA-N 2 0 294.439 2.878 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCc2ccccc21 ZINC000423018461 383015595 /nfs/dbraw/zinc/01/55/95/383015595.db2.gz QYQAAZFSUFFDSJ-KBAYOESNSA-N 2 0 272.436 2.998 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000338258310 382967243 /nfs/dbraw/zinc/96/72/43/382967243.db2.gz LCMREWPCAWALTM-UHFFFAOYSA-N 2 0 284.444 2.523 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423047156 383028509 /nfs/dbraw/zinc/02/85/09/383028509.db2.gz GPHHURMJKIKTMV-DHSIGJKJSA-N 2 0 288.435 2.845 20 0 CFADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423045746 383028844 /nfs/dbraw/zinc/02/88/44/383028844.db2.gz CLCGUUZRPWIBAC-DLBZAZTESA-N 2 0 288.435 2.712 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423046750 383028983 /nfs/dbraw/zinc/02/89/83/383028983.db2.gz UMNBGXJRIKTNMP-JTQLQIEISA-N 2 0 274.330 2.754 20 0 CFADRP Cc1cc(NCC[N@H+]2CC=CCC2)c2ccccc2[nH+]1 ZINC000338711404 383029646 /nfs/dbraw/zinc/02/96/46/383029646.db2.gz KFOIDCMAGYWHJV-UHFFFAOYSA-N 2 0 267.376 2.639 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423048699 383029684 /nfs/dbraw/zinc/02/96/84/383029684.db2.gz IKFZJPAGBOAGPP-SJORKVTESA-N 2 0 288.435 2.843 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423049881 383031325 /nfs/dbraw/zinc/03/13/25/383031325.db2.gz YHHDNVGTXBDEBP-ZJIFWQFVSA-N 2 0 268.445 2.700 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423060383 383035299 /nfs/dbraw/zinc/03/52/99/383035299.db2.gz HZVWYXPZZBFRIE-GJZGRUSLSA-N 2 0 291.826 2.844 20 0 CFADRP C[C@@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)C1C[NH2+]C1 ZINC000423059772 383035485 /nfs/dbraw/zinc/03/54/85/383035485.db2.gz GMIDPZISSSEIMD-LLVKDONJSA-N 2 0 291.826 2.572 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423060538 383035845 /nfs/dbraw/zinc/03/58/45/383035845.db2.gz OUEAKNBBAWRAHY-HZMVEIRTSA-N 2 0 258.409 2.867 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423059932 383036030 /nfs/dbraw/zinc/03/60/30/383036030.db2.gz NFIOHIMRVBGVPT-FZMZJTMJSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423063124 383036600 /nfs/dbraw/zinc/03/66/00/383036600.db2.gz VNKCOGSKQVKFFN-LZQZEXGQSA-N 2 0 296.414 2.633 20 0 CFADRP CN1C[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])Cc2ccccc21 ZINC000423063130 383036884 /nfs/dbraw/zinc/03/68/84/383036884.db2.gz VOLYKWHFLIUEDE-UAGQMJEPSA-N 2 0 287.451 2.545 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423061923 383036979 /nfs/dbraw/zinc/03/69/79/383036979.db2.gz RZQCFGSXHINYSE-HUUCEWRRSA-N 2 0 264.438 2.767 20 0 CFADRP COCCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCCCC1 ZINC000423061748 383037170 /nfs/dbraw/zinc/03/71/70/383037170.db2.gz LLIUXEXXWFGATD-ZIAGYGMSSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423065897 383038447 /nfs/dbraw/zinc/03/84/47/383038447.db2.gz VNSLTOOTLCIFGL-JZXOWHBKSA-N 2 0 289.467 2.757 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069506 383039680 /nfs/dbraw/zinc/03/96/80/383039680.db2.gz LSAXDBTVBHUPPU-KBPBESRZSA-N 2 0 298.377 2.938 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423082588 383041206 /nfs/dbraw/zinc/04/12/06/383041206.db2.gz DNCKGKPELSNPOK-CIDNJEQPSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000423111639 383042798 /nfs/dbraw/zinc/04/27/98/383042798.db2.gz QXCQLGFIZAFPFB-FPCVCCKLSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246491345 383079045 /nfs/dbraw/zinc/07/90/45/383079045.db2.gz RYCPRSPIXRULCE-FZKCQIBNSA-N 2 0 268.445 2.510 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000423172523 383047678 /nfs/dbraw/zinc/04/76/78/383047678.db2.gz UBILFOGVGRQDRG-OMFOHFGMSA-N 2 0 250.430 2.920 20 0 CFADRP CC(C)CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000338778376 383047780 /nfs/dbraw/zinc/04/77/80/383047780.db2.gz QEDZWMLHOYNFGJ-SJLPKXTDSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423196106 383048961 /nfs/dbraw/zinc/04/89/61/383048961.db2.gz YWKIMEUSJVJWNM-QRTARXTBSA-N 2 0 291.414 2.512 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423197667 383048971 /nfs/dbraw/zinc/04/89/71/383048971.db2.gz ALRTWBYYJYBELE-CYBMUJFWSA-N 2 0 283.213 2.636 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423198517 383049020 /nfs/dbraw/zinc/04/90/20/383049020.db2.gz GIJOZDROBGMPCV-GFCCVEGCSA-N 2 0 297.240 2.506 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)C12CCCC2 ZINC000423186149 383049074 /nfs/dbraw/zinc/04/90/74/383049074.db2.gz WNCWXLILRYLXRS-CABCVRRESA-N 2 0 280.456 2.975 20 0 CFADRP c1ccc([C@@H]2CC[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423208260 383050141 /nfs/dbraw/zinc/05/01/41/383050141.db2.gz HQPXRIDINAWUBZ-UAGQMJEPSA-N 2 0 258.409 2.912 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203957 383050415 /nfs/dbraw/zinc/05/04/15/383050415.db2.gz DAKNMNHODQCLCP-AEFFLSMTSA-N 2 0 272.436 2.905 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000338792537 383053390 /nfs/dbraw/zinc/05/33/90/383053390.db2.gz SLCGUUCXYVFFMB-JKQORVJESA-N 2 0 282.472 2.900 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1(CC)CC ZINC000423272600 383053680 /nfs/dbraw/zinc/05/36/80/383053680.db2.gz JWMBVDKQSOAHTH-MGPQQGTHSA-N 2 0 256.434 2.543 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423276399 383055988 /nfs/dbraw/zinc/05/59/88/383055988.db2.gz OJVBFZNKNLELGV-FIXISWKDSA-N 2 0 250.361 2.504 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423310650 383057013 /nfs/dbraw/zinc/05/70/13/383057013.db2.gz AOKGSRBOYXGRHG-CVEARBPZSA-N 2 0 262.397 2.719 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245996259 383057149 /nfs/dbraw/zinc/05/71/49/383057149.db2.gz RHJMIVUSVNIBFI-SJORKVTESA-N 2 0 292.471 2.619 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCOc3ccccc32)CCC[NH2+]C1 ZINC000423335315 383058598 /nfs/dbraw/zinc/05/85/98/383058598.db2.gz RNLYUPHSQMOUIF-WBVHZDCISA-N 2 0 274.408 2.880 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000423393968 383079621 /nfs/dbraw/zinc/07/96/21/383079621.db2.gz MNONONWNPGJBLE-DCGLDWPTSA-N 2 0 258.409 2.824 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423350391 383060119 /nfs/dbraw/zinc/06/01/19/383060119.db2.gz ZFSQVZBMCPUPPB-MRXNPFEDSA-N 2 0 260.381 2.656 20 0 CFADRP c1ccc([C@H]2CC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423360146 383063532 /nfs/dbraw/zinc/06/35/32/383063532.db2.gz VSPBIWGXYHQLRY-IRXDYDNUSA-N 2 0 256.393 2.832 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367455 383066019 /nfs/dbraw/zinc/06/60/19/383066019.db2.gz CLUXEFOAPZSGLR-GFCCVEGCSA-N 2 0 256.349 2.604 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423391740 383080063 /nfs/dbraw/zinc/08/00/63/383080063.db2.gz PREQIMHKDYXLDG-KEYYUXOJSA-N 2 0 274.408 2.932 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423371110 383068829 /nfs/dbraw/zinc/06/88/29/383068829.db2.gz AJOZWDKSHDOUCK-MWDXBVQZSA-N 2 0 294.483 2.950 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423394793 383080340 /nfs/dbraw/zinc/08/03/40/383080340.db2.gz SJWIOLNCGCUJEV-IJLUTSLNSA-N 2 0 279.453 2.813 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000423379873 383073159 /nfs/dbraw/zinc/07/31/59/383073159.db2.gz YBIVKPDPMBUDGD-ZNMIVQPWSA-N 2 0 282.815 2.887 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)COC2 ZINC000423379729 383073981 /nfs/dbraw/zinc/07/39/81/383073981.db2.gz NBVNWRVHGWCRBV-WQGACYEGSA-N 2 0 260.381 2.508 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423384540 383076279 /nfs/dbraw/zinc/07/62/79/383076279.db2.gz QJIOTPKGZYJWRS-SUYBPPKGSA-N 2 0 274.408 2.803 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423386612 383077300 /nfs/dbraw/zinc/07/73/00/383077300.db2.gz MAHXRLRKMSVLOA-KKUMJFAQSA-N 2 0 290.407 2.768 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000423027878 383018897 /nfs/dbraw/zinc/01/88/97/383018897.db2.gz FGWSOOANRUYCPQ-YDHLFZDLSA-N 2 0 291.439 2.705 20 0 CFADRP CC[C@H]([NH2+]CCCNc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000423026130 383018969 /nfs/dbraw/zinc/01/89/69/383018969.db2.gz AOCIIPWOXIXBAZ-HOCLYGCPSA-N 2 0 279.403 2.748 20 0 CFADRP CC(C)([NH3+])C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000579473744 383019331 /nfs/dbraw/zinc/01/93/31/383019331.db2.gz JTQXNQWGLTZVIJ-UHFFFAOYSA-N 2 0 276.424 2.774 20 0 CFADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(-c2ccccc2)n1 ZINC000423030411 383019570 /nfs/dbraw/zinc/01/95/70/383019570.db2.gz JPIWZUSXVGEYNP-NVXWUHKLSA-N 2 0 298.434 2.694 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C(C)(C)C ZINC000423030864 383020008 /nfs/dbraw/zinc/02/00/08/383020008.db2.gz KATKUGDORZFFSC-JHJVBQTASA-N 2 0 258.475 2.742 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423029861 383020223 /nfs/dbraw/zinc/02/02/23/383020223.db2.gz IVRHUKSPURSNSE-KBXCAEBGSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423031324 383020983 /nfs/dbraw/zinc/02/09/83/383020983.db2.gz UWUCUNSTXSYHPE-SCRDCRAPSA-N 2 0 281.831 2.634 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423032152 383021013 /nfs/dbraw/zinc/02/10/13/383021013.db2.gz DYHOYFIJOGPULS-BHDPWAOGSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]([NH2+]CCCNc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423034445 383022548 /nfs/dbraw/zinc/02/25/48/383022548.db2.gz QBNBWUVJGQAHRA-CZUORRHYSA-N 2 0 279.403 2.748 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423033109 383022707 /nfs/dbraw/zinc/02/27/07/383022707.db2.gz WPXUACMUCMTXIM-WBVHZDCISA-N 2 0 275.440 2.986 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423034169 383022767 /nfs/dbraw/zinc/02/27/67/383022767.db2.gz PMLYBKWDGXYNOG-JKSUJKDBSA-N 2 0 279.403 2.877 20 0 CFADRP CS[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036217 383024048 /nfs/dbraw/zinc/02/40/48/383024048.db2.gz SSBDDMCBAZWZOU-JHJVBQTASA-N 2 0 258.475 2.884 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000423037381 383024053 /nfs/dbraw/zinc/02/40/53/383024053.db2.gz BHXGMQAQJNMFIE-BXUZGUMPSA-N 2 0 266.360 2.756 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000423036296 383024081 /nfs/dbraw/zinc/02/40/81/383024081.db2.gz AINWODWJCATIKT-IIKSMHAQSA-N 2 0 277.437 2.702 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000423039484 383024550 /nfs/dbraw/zinc/02/45/50/383024550.db2.gz QLQHTKRJNDLWPH-GHMZBOCLSA-N 2 0 255.431 2.662 20 0 CFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])OC(C)C ZINC000423045102 383027177 /nfs/dbraw/zinc/02/71/77/383027177.db2.gz BKXCKIJNOHXPJS-KEYYUXOJSA-N 2 0 294.439 2.877 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 ZINC000423044060 383027220 /nfs/dbraw/zinc/02/72/20/383027220.db2.gz APXJSRCIOQWZDW-VDNDLQMASA-N 2 0 272.392 2.678 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(C)oc2ccccc21 ZINC000423044110 383027640 /nfs/dbraw/zinc/02/76/40/383027640.db2.gz AUMGFIFXNVZIRQ-CYBMUJFWSA-N 2 0 276.380 2.585 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C2CC2)c1 ZINC000423494628 383120593 /nfs/dbraw/zinc/12/05/93/383120593.db2.gz SKWVLOBDQMTPTA-ZVZYQTTQSA-N 2 0 288.435 2.733 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000423492960 383120712 /nfs/dbraw/zinc/12/07/12/383120712.db2.gz PDFAPGDWWJWOLF-BJJXKVORSA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000423499706 383122571 /nfs/dbraw/zinc/12/25/71/383122571.db2.gz IEHLWJOAHQGGCF-XFJVYGCCSA-N 2 0 262.372 2.920 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500466 383122607 /nfs/dbraw/zinc/12/26/07/383122607.db2.gz BZNYTHHYJPELCR-BFWZDYSYSA-N 2 0 293.499 2.761 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@H]2C)C1 ZINC000246961740 383125911 /nfs/dbraw/zinc/12/59/11/383125911.db2.gz IOYKYADWUXRJES-CPUCHLNUSA-N 2 0 258.409 2.851 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423537620 383126103 /nfs/dbraw/zinc/12/61/03/383126103.db2.gz DJDLXIMZYWAHGM-BASYENTBSA-N 2 0 286.419 2.660 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423521528 383126662 /nfs/dbraw/zinc/12/66/62/383126662.db2.gz XAVKKQYXNSHYLU-ZLDLUXBVSA-N 2 0 265.376 2.635 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423551213 383127859 /nfs/dbraw/zinc/12/78/59/383127859.db2.gz UFKGTYLPQMSRQL-BORJPKMPSA-N 2 0 285.435 2.911 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000246993063 383129517 /nfs/dbraw/zinc/12/95/17/383129517.db2.gz RZKHYXBOXAXVFW-HYVNUMGLSA-N 2 0 294.483 2.900 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000339044930 383130920 /nfs/dbraw/zinc/13/09/20/383130920.db2.gz QTSAAZWNLAMVAZ-DOTOQJQBSA-N 2 0 292.467 2.894 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCSC1 ZINC000554361092 383132003 /nfs/dbraw/zinc/13/20/03/383132003.db2.gz QOGRAOBHWHYTLF-AWEZNQCLSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069699 383137961 /nfs/dbraw/zinc/13/79/61/383137961.db2.gz ZHASOZHCWZVNOX-KBMXLJTQSA-N 2 0 292.398 2.809 20 0 CFADRP c1c2ccccc2[nH]c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339070045 383138397 /nfs/dbraw/zinc/13/83/97/383138397.db2.gz VYKAIAUCGGZTRE-GOEBONIOSA-N 2 0 269.392 2.884 20 0 CFADRP COCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246566342 383081678 /nfs/dbraw/zinc/08/16/78/383081678.db2.gz LDOYIYXCVDNUOZ-QZTJIDSGSA-N 2 0 288.435 2.749 20 0 CFADRP CCN1CC[C@H]2OCC[N@H+](CC(C(C)C)C(C)C)[C@H]2C1 ZINC000552346388 383082093 /nfs/dbraw/zinc/08/20/93/383082093.db2.gz KICNPMUFMORNNV-DLBZAZTESA-N 2 0 282.472 2.710 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C2CC2)c1 ZINC000423402027 383083213 /nfs/dbraw/zinc/08/32/13/383083213.db2.gz REAUYZMXSTXBBG-KKXDTOCCSA-N 2 0 288.435 2.604 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000423401747 383083226 /nfs/dbraw/zinc/08/32/26/383083226.db2.gz XGFHQKPKVHIQMT-SNPRPXQTSA-N 2 0 290.407 2.639 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cc(C)c(C)o2)CC[NH2+]CC1 ZINC000423400527 383083265 /nfs/dbraw/zinc/08/32/65/383083265.db2.gz FPEKTPYPORHYRW-ZDUSSCGKSA-N 2 0 280.412 2.563 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC000246589525 383083698 /nfs/dbraw/zinc/08/36/98/383083698.db2.gz ZHCAMBSOVYOJHV-HZSPNIEDSA-N 2 0 297.468 2.683 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1(CC)CC ZINC000423403625 383084141 /nfs/dbraw/zinc/08/41/41/383084141.db2.gz YRULKXTULZFLPO-APIJFGDWSA-N 2 0 268.445 2.700 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccsc1 ZINC000423404087 383084452 /nfs/dbraw/zinc/08/44/52/383084452.db2.gz IJOQKXHBVPEDJB-CQSZACIVSA-N 2 0 282.453 2.805 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C2CC2)c1 ZINC000423402849 383084476 /nfs/dbraw/zinc/08/44/76/383084476.db2.gz WSGQMKCSRFDJTL-NUJGCVRESA-N 2 0 288.435 2.876 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407031 383085217 /nfs/dbraw/zinc/08/52/17/383085217.db2.gz LOVMOQOCMOYBMZ-HUUCEWRRSA-N 2 0 270.461 2.807 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000423407244 383085525 /nfs/dbraw/zinc/08/55/25/383085525.db2.gz ZPABOKHTMUQABR-BRWVUGGUSA-N 2 0 258.409 2.867 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cn1 ZINC000423406908 383085641 /nfs/dbraw/zinc/08/56/41/383085641.db2.gz ZIVSMRYIGLWURZ-CYBMUJFWSA-N 2 0 284.407 2.918 20 0 CFADRP COCC1(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000423407712 383086934 /nfs/dbraw/zinc/08/69/34/383086934.db2.gz MZZCLQWJKOLNCU-WMLDXEAASA-N 2 0 288.435 2.526 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1(CC)CC ZINC000423410286 383088061 /nfs/dbraw/zinc/08/80/61/383088061.db2.gz ZURLALBOVSKRGO-CBBWQLFWSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1O ZINC000423420989 383090602 /nfs/dbraw/zinc/09/06/02/383090602.db2.gz BYLFAWXEJOQOGC-NWDGAFQWSA-N 2 0 266.385 2.569 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000423422322 383091091 /nfs/dbraw/zinc/09/10/91/383091091.db2.gz KXQSKQJXBLLXHL-RBSFLKMASA-N 2 0 261.413 2.806 20 0 CFADRP CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccnc1 ZINC000423425354 383091971 /nfs/dbraw/zinc/09/19/71/383091971.db2.gz DMSCZYUBECACTE-GVDBMIGSSA-N 2 0 273.424 2.901 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1OC ZINC000423428448 383092514 /nfs/dbraw/zinc/09/25/14/383092514.db2.gz RFJHZYDCYVLRFY-KLHDSHLOSA-N 2 0 282.472 2.935 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423432087 383093996 /nfs/dbraw/zinc/09/39/96/383093996.db2.gz QPOWSIHOSIVQJB-RRFJBIMHSA-N 2 0 256.434 2.559 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000423432420 383094045 /nfs/dbraw/zinc/09/40/45/383094045.db2.gz WBEZTMVBJIKOMV-RBSFLKMASA-N 2 0 261.413 2.806 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423431145 383094051 /nfs/dbraw/zinc/09/40/51/383094051.db2.gz LJPMPHSBXZYETM-ILXRZTDVSA-N 2 0 278.444 2.553 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423432407 383094059 /nfs/dbraw/zinc/09/40/59/383094059.db2.gz MHMCZRBZEUXXMS-QWHCGFSZSA-N 2 0 277.412 2.813 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C(C)C)cc1 ZINC000423435223 383095034 /nfs/dbraw/zinc/09/50/34/383095034.db2.gz DMFUGIQHKSIKFU-SLEUVZQESA-N 2 0 250.386 2.718 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000423443573 383098101 /nfs/dbraw/zinc/09/81/01/383098101.db2.gz VWSOOTLIJIOIJD-MNOVXSKESA-N 2 0 285.819 2.912 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423445107 383098554 /nfs/dbraw/zinc/09/85/54/383098554.db2.gz XKVBZOPETQDFGV-HUUCEWRRSA-N 2 0 291.439 2.535 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423447834 383099930 /nfs/dbraw/zinc/09/99/30/383099930.db2.gz ULPJYVONQMPQJI-SMDDNHRTSA-N 2 0 277.412 2.588 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422806453 532971511 /nfs/dbraw/zinc/97/15/11/532971511.db2.gz KTWLCEUIZIPTRU-UWVGGRQHSA-N 2 0 256.390 2.763 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000423451800 383100599 /nfs/dbraw/zinc/10/05/99/383100599.db2.gz IZCGRUUTTSAMEC-RYUDHWBXSA-N 2 0 267.392 2.670 20 0 CFADRP COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423451177 383100956 /nfs/dbraw/zinc/10/09/56/383100956.db2.gz YAPMQOJCAKHRFW-OAUYIBNBSA-N 2 0 274.408 2.734 20 0 CFADRP COc1cc(CN2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC(C)C ZINC000584418399 383101503 /nfs/dbraw/zinc/10/15/03/383101503.db2.gz ZXKVTAABUQGAAR-UKRRQHHQSA-N 2 0 292.423 2.794 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423456055 383101727 /nfs/dbraw/zinc/10/17/27/383101727.db2.gz NMZDRIHMPOUSHK-BLLLJJGKSA-N 2 0 262.397 2.790 20 0 CFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584421546 383101782 /nfs/dbraw/zinc/10/17/82/383101782.db2.gz USDOOWQJUYDRDW-ILXRZTDVSA-N 2 0 292.423 2.570 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423458711 383102990 /nfs/dbraw/zinc/10/29/90/383102990.db2.gz HBOXPRPMQSIQLG-SCYJSFNGSA-N 2 0 262.397 2.513 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423456847 383103093 /nfs/dbraw/zinc/10/30/93/383103093.db2.gz DUZCJNDWTXJWOF-DZKIICNBSA-N 2 0 264.413 2.553 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423462792 383105134 /nfs/dbraw/zinc/10/51/34/383105134.db2.gz PLXAUPVLEKJEOL-DCGLDWPTSA-N 2 0 274.408 2.885 20 0 CFADRP CC[C@H]([NH3+])C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423463964 383105320 /nfs/dbraw/zinc/10/53/20/383105320.db2.gz LNXOGEAYYASXMI-OPFPJEHXSA-N 2 0 254.418 2.584 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000423465792 383106205 /nfs/dbraw/zinc/10/62/05/383106205.db2.gz WUVOFPHCDNLTOH-ZIAGYGMSSA-N 2 0 286.423 2.865 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000423465768 383106466 /nfs/dbraw/zinc/10/64/66/383106466.db2.gz WUVOFPHCDNLTOH-KBPBESRZSA-N 2 0 286.423 2.865 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423467034 383107023 /nfs/dbraw/zinc/10/70/23/383107023.db2.gz AYXVXHHYSRETFI-CZUORRHYSA-N 2 0 289.423 2.828 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1nc2ccccc2n1C ZINC000423467158 383107554 /nfs/dbraw/zinc/10/75/54/383107554.db2.gz BFXVSQBDKCJWNS-KBPBESRZSA-N 2 0 286.423 2.756 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cs1 ZINC000423467609 383107567 /nfs/dbraw/zinc/10/75/67/383107567.db2.gz BLUBLAZLRKNBCZ-CMPLNLGQSA-N 2 0 253.415 2.634 20 0 CFADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246817675 383108728 /nfs/dbraw/zinc/10/87/28/383108728.db2.gz BBCAKOYVZKLYET-HUUCEWRRSA-N 2 0 278.444 2.847 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000423470683 383108727 /nfs/dbraw/zinc/10/87/27/383108727.db2.gz ZFWRNYVBEVHSEE-HIFRSBDPSA-N 2 0 262.397 2.926 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423474519 383110639 /nfs/dbraw/zinc/11/06/39/383110639.db2.gz HLGVOQWDAWAHDF-RBSFLKMASA-N 2 0 268.445 2.700 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423480119 383112962 /nfs/dbraw/zinc/11/29/62/383112962.db2.gz MWXZIOFFLWIEDG-HPUBIQBYSA-N 2 0 296.455 2.620 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423480516 383113124 /nfs/dbraw/zinc/11/31/24/383113124.db2.gz WDWPFAQRABMZIY-DZGCQCFKSA-N 2 0 266.816 2.988 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247116448 383145056 /nfs/dbraw/zinc/14/50/56/383145056.db2.gz QWFUFPQGAVRFJT-OWCLPIDISA-N 3 0 281.488 2.569 20 0 CFADRP c1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000246865121 383114767 /nfs/dbraw/zinc/11/47/67/383114767.db2.gz PUQFORQFWVESDW-YJBOKZPZSA-N 2 0 285.435 2.573 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOC2CCCC2)[C@@H](C)C1 ZINC000246876370 383116166 /nfs/dbraw/zinc/11/61/66/383116166.db2.gz CUTIZZGGIPRCEG-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP c1c[nH]c([C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc2)n1 ZINC000423487485 383116533 /nfs/dbraw/zinc/11/65/33/383116533.db2.gz UIMQOVHSDSTJBK-JKSUJKDBSA-N 2 0 284.407 2.621 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423489678 383117790 /nfs/dbraw/zinc/11/77/90/383117790.db2.gz WTJRAOFGQOFKSG-ZFWWWQNUSA-N 2 0 261.413 2.827 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246908157 383119198 /nfs/dbraw/zinc/11/91/98/383119198.db2.gz MNXHPPBVTNHAAY-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000246905326 383119357 /nfs/dbraw/zinc/11/93/57/383119357.db2.gz FPFHVQGZQHRYSZ-WOSRLPQWSA-N 2 0 294.414 2.695 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(COC)CC2)C1 ZINC000449091810 383171525 /nfs/dbraw/zinc/17/15/25/383171525.db2.gz KUUJZXJJEASMBQ-PCKAHOCUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449095955 383173963 /nfs/dbraw/zinc/17/39/63/383173963.db2.gz CXDQTPLFMMZVMC-CYBMUJFWSA-N 2 0 262.397 2.817 20 0 CFADRP CC(C)N1CCc2nc(C[NH2+]CC[C@@H](C)F)sc2C1 ZINC000339485578 383212457 /nfs/dbraw/zinc/21/24/57/383212457.db2.gz QCRACQDFXUZKMO-LLVKDONJSA-N 2 0 285.432 2.747 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H](C)O1 ZINC000449126838 383179737 /nfs/dbraw/zinc/17/97/37/383179737.db2.gz VWMIDBFGQHFGDV-PMPSAXMXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@H](C)O1 ZINC000449108858 383179785 /nfs/dbraw/zinc/17/97/85/383179785.db2.gz WIBYGZTVQOTYDH-JKIFEVAISA-N 2 0 280.456 2.797 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC12CCC2 ZINC000449227024 383184545 /nfs/dbraw/zinc/18/45/45/383184545.db2.gz ZKPFKUPVLFQNSS-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CNCc2cncn2C(C)C)C1 ZINC000424154155 383192214 /nfs/dbraw/zinc/19/22/14/383192214.db2.gz JECXJTXWSNGPJF-MRXNPFEDSA-N 2 0 292.471 2.922 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000449281687 383198640 /nfs/dbraw/zinc/19/86/40/383198640.db2.gz DCWAMFPVPQZNEK-AWEZNQCLSA-N 2 0 264.413 2.922 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2)[C@@H](C)C1 ZINC000247889393 383199176 /nfs/dbraw/zinc/19/91/76/383199176.db2.gz DVMMDWYSVCVXCI-XJKSGUPXSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000247929231 383200225 /nfs/dbraw/zinc/20/02/25/383200225.db2.gz BWVMOCCSGSHMGU-AEFFLSMTSA-N 2 0 290.451 2.883 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@H](C2CCC2)C2CCCCC2)CC1 ZINC000424290675 383203101 /nfs/dbraw/zinc/20/31/01/383203101.db2.gz BJJYFBMEJMQVFW-KRWDZBQOSA-N 2 0 294.483 2.782 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000247966987 383203107 /nfs/dbraw/zinc/20/31/07/383203107.db2.gz IDMXFCYFBXAIFZ-RDJZCZTQSA-N 2 0 276.424 2.694 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2ccnc3ccccc23)CCCCC1 ZINC000566725676 383204939 /nfs/dbraw/zinc/20/49/39/383204939.db2.gz HQIGHEHANREWJS-UHFFFAOYSA-N 2 0 269.392 2.986 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000248025961 383207270 /nfs/dbraw/zinc/20/72/70/383207270.db2.gz PBUVPBUZTNEFHT-QLFBSQMISA-N 2 0 295.496 2.671 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000248025956 383207636 /nfs/dbraw/zinc/20/76/36/383207636.db2.gz PBUVPBUZTNEFHT-KKUMJFAQSA-N 2 0 295.496 2.671 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000248023356 383207740 /nfs/dbraw/zinc/20/77/40/383207740.db2.gz ODYYQDNBMUDHCS-XJKCOSOUSA-N 2 0 264.388 2.952 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2OC)[C@@H](C)C1 ZINC000248022310 383207934 /nfs/dbraw/zinc/20/79/34/383207934.db2.gz NXVHOMPLDQTJKG-HOCLYGCPSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000449043885 383150178 /nfs/dbraw/zinc/15/01/78/383150178.db2.gz AIDCMMLWKPDWLK-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)c2ccccc2)[C@@H](C)C1 ZINC000247189952 383151493 /nfs/dbraw/zinc/15/14/93/383151493.db2.gz VRZHAIICWAHWMU-JZXOWHBKSA-N 2 0 289.467 2.831 20 0 CFADRP CCC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OCC ZINC000623599790 383152302 /nfs/dbraw/zinc/15/23/02/383152302.db2.gz RCJCCGMHGOCLEA-KBPBESRZSA-N 2 0 256.434 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000247227962 383154123 /nfs/dbraw/zinc/15/41/23/383154123.db2.gz WSYGTWJYHMEMNP-GOEBONIOSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)ccc1C[NH+](C)C ZINC000458293188 383154497 /nfs/dbraw/zinc/15/44/97/383154497.db2.gz UTWHXRNZSVPYMH-INIZCTEOSA-N 2 0 291.439 2.581 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000449061082 383155445 /nfs/dbraw/zinc/15/54/45/383155445.db2.gz UWHOKPDFDQIOPR-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP COCCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449063205 383157662 /nfs/dbraw/zinc/15/76/62/383157662.db2.gz LWMQEIOQXFIPJI-MRXNPFEDSA-N 2 0 290.451 2.708 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)c2cccnc12 ZINC000519350376 383211448 /nfs/dbraw/zinc/21/14/48/383211448.db2.gz FODAHNIBYHZSRI-ZKHDCCDFSA-N 2 0 299.393 2.979 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449079687 383165288 /nfs/dbraw/zinc/16/52/88/383165288.db2.gz ZVRWZGMLDXMFSI-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000567225409 383252831 /nfs/dbraw/zinc/25/28/31/383252831.db2.gz JEQZICAGYCCXLT-VYDXJSESSA-N 2 0 276.424 2.664 20 0 CFADRP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@H](c1ccccc1)[NH+](C)C ZINC000567226876 383253112 /nfs/dbraw/zinc/25/31/12/383253112.db2.gz UUINXCDFLZZWIV-CIRFHOKZSA-N 2 0 289.467 2.656 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000567298060 383260000 /nfs/dbraw/zinc/26/00/00/383260000.db2.gz FPNJSJFWDBAJGJ-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CCOCC3)CC2)C1 ZINC000449403994 383268375 /nfs/dbraw/zinc/26/83/75/383268375.db2.gz SQLSTNJSXCLNRC-YJBOKZPZSA-N 2 0 292.467 2.966 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000449403982 383268684 /nfs/dbraw/zinc/26/86/84/383268684.db2.gz SMMNOPNNCSGQIJ-YJBOKZPZSA-N 2 0 292.467 2.966 20 0 CFADRP CCCn1ccnc1CCCN(C)Cc1ncc(CC)o1 ZINC000566833081 383215395 /nfs/dbraw/zinc/21/53/95/383215395.db2.gz VOFUAIVSJUMZCE-UHFFFAOYSA-N 2 0 290.411 2.908 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248160550 383215583 /nfs/dbraw/zinc/21/55/83/383215583.db2.gz RZXYEUVWPHGBNF-WMZOPIPTSA-N 2 0 290.451 2.883 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248155042 383215762 /nfs/dbraw/zinc/21/57/62/383215762.db2.gz RFROGETULYGZRZ-SJLPKXTDSA-N 2 0 287.451 2.669 20 0 CFADRP COc1cc(C)ccc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000449334693 383223759 /nfs/dbraw/zinc/22/37/59/383223759.db2.gz XRRLGOMNSVBDAF-RDJZCZTQSA-N 2 0 288.435 2.920 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccnc1 ZINC000423193230 532975175 /nfs/dbraw/zinc/97/51/75/532975175.db2.gz VNPDJPHKASVULW-CRAIPNDOSA-N 2 0 297.446 2.907 20 0 CFADRP COCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248407289 383237786 /nfs/dbraw/zinc/23/77/86/383237786.db2.gz UFPNKAMKDKYXEU-RCCFBDPRSA-N 2 0 288.435 2.523 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248428126 383241349 /nfs/dbraw/zinc/24/13/49/383241349.db2.gz ANBADVOVNAMNGD-BBRMVZONSA-N 2 0 292.398 2.971 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000249115744 383327950 /nfs/dbraw/zinc/32/79/50/383327950.db2.gz SAYQGLPKAPYWCO-HOTGVXAUSA-N 2 0 276.449 2.604 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449490653 383328169 /nfs/dbraw/zinc/32/81/69/383328169.db2.gz ZNEOQGGWDDAACM-UHFFFAOYSA-N 2 0 286.435 2.605 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000567895515 383328846 /nfs/dbraw/zinc/32/88/46/383328846.db2.gz MYINYHSRBAAMJO-MRXNPFEDSA-N 2 0 295.386 2.709 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)n2c1 ZINC000634732679 383333749 /nfs/dbraw/zinc/33/37/49/383333749.db2.gz LZTYMHOPFZTFOB-CQSZACIVSA-N 2 0 286.423 2.511 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000634732644 383334186 /nfs/dbraw/zinc/33/41/86/383334186.db2.gz LCBRTRDEFRKKAX-AWEZNQCLSA-N 2 0 250.361 2.694 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732376 383334444 /nfs/dbraw/zinc/33/44/44/383334444.db2.gz DYSWCDPLYUPMOJ-CQSZACIVSA-N 2 0 286.423 2.511 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000634732645 383334526 /nfs/dbraw/zinc/33/45/26/383334526.db2.gz LCBRTRDEFRKKAX-CQSZACIVSA-N 2 0 250.361 2.694 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732858 383334965 /nfs/dbraw/zinc/33/49/65/383334965.db2.gz QKGFQXBULXWKDZ-MRXNPFEDSA-N 2 0 289.423 2.513 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2scnc2C2CC2)C1 ZINC000634733407 383335206 /nfs/dbraw/zinc/33/52/06/383335206.db2.gz DZPTVXNGYYCQRV-LBPRGKRZSA-N 2 0 279.453 2.888 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000634733815 383336678 /nfs/dbraw/zinc/33/66/78/383336678.db2.gz OUBJKHFNTNDEBA-INIZCTEOSA-N 2 0 286.419 2.830 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248722591 383283350 /nfs/dbraw/zinc/28/33/50/383283350.db2.gz GBKFSVFIPLRWRF-VVLHAWIVSA-N 2 0 292.467 2.654 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]2C2CC2)CC1 ZINC000449428149 383288432 /nfs/dbraw/zinc/28/84/32/383288432.db2.gz QMWMUVRCHZUACK-LJQANCHMSA-N 2 0 299.462 2.813 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000567583252 383289033 /nfs/dbraw/zinc/28/90/33/383289033.db2.gz MDTALHKGRCNJQU-UHFFFAOYSA-N 2 0 287.451 2.782 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000567603926 383291146 /nfs/dbraw/zinc/29/11/46/383291146.db2.gz BRABTFBUXUNVRE-CHWSQXEVSA-N 2 0 250.386 2.689 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000567603927 383291600 /nfs/dbraw/zinc/29/16/00/383291600.db2.gz BRABTFBUXUNVRE-OLZOCXBDSA-N 2 0 250.386 2.689 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248815855 383293115 /nfs/dbraw/zinc/29/31/15/383293115.db2.gz AITJNXXWGRZPKO-ANQUJSFKSA-N 2 0 280.456 2.654 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459773744 383296956 /nfs/dbraw/zinc/29/69/56/383296956.db2.gz IVQBECNJPCIRBV-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[NH2+]C[C@H](O)CC1CCCC1)C[NH+]1CCCCC1 ZINC000567678508 383300749 /nfs/dbraw/zinc/30/07/49/383300749.db2.gz UZSBEIVHMHBRTR-NVXWUHKLSA-N 2 0 282.472 2.639 20 0 CFADRP CC/C=C\C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449455120 383303116 /nfs/dbraw/zinc/30/31/16/383303116.db2.gz KTIATWKJEZVNRX-PLNGDYQASA-N 2 0 256.353 2.632 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248991571 383315337 /nfs/dbraw/zinc/31/53/37/383315337.db2.gz NNQBCGAORZIIEV-GWONACJQSA-N 2 0 280.456 2.795 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000449475517 383317683 /nfs/dbraw/zinc/31/76/83/383317683.db2.gz FRCVQEODSZVBIC-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249031975 383319571 /nfs/dbraw/zinc/31/95/71/383319571.db2.gz RKMSOJNLAGDKDL-FSUMODHMSA-N 2 0 288.435 2.713 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4ncccc34)C[C@H]21 ZINC000634687959 383320205 /nfs/dbraw/zinc/32/02/05/383320205.db2.gz DNZHGYBSZBJFPI-DJIMGWMZSA-N 2 0 281.403 2.794 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC000249039786 383320611 /nfs/dbraw/zinc/32/06/11/383320611.db2.gz ULNAHJFQVPQOPR-LDBYLJPUSA-N 2 0 292.467 2.939 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000634688633 383321182 /nfs/dbraw/zinc/32/11/82/383321182.db2.gz YSUBKKYGCLMRJH-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@H]1[NH3+] ZINC000634688623 383321605 /nfs/dbraw/zinc/32/16/05/383321605.db2.gz YKIDVCBAGLEXGE-XJKSGUPXSA-N 2 0 269.392 2.794 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000249052941 383322742 /nfs/dbraw/zinc/32/27/42/383322742.db2.gz IICVSSSEMJHCIO-LBDPXKHJSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H]1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000567865304 383324131 /nfs/dbraw/zinc/32/41/31/383324131.db2.gz UKEHXIRDACENAH-DJIMGWMZSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000567872343 383324658 /nfs/dbraw/zinc/32/46/58/383324658.db2.gz SSKFTKNPJJESPN-KLHDSHLOSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000251556070 383390037 /nfs/dbraw/zinc/39/00/37/383390037.db2.gz RJQWVIISDBERNW-AEGPPILISA-N 2 0 290.407 2.626 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC([NH+](C)C)C3)c2c1 ZINC000450404173 383394458 /nfs/dbraw/zinc/39/44/58/383394458.db2.gz CDZITGZPEYTPCW-UHFFFAOYSA-N 2 0 255.365 2.547 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450405610 383394546 /nfs/dbraw/zinc/39/45/46/383394546.db2.gz QHQXNKXWBBISLM-BHMZLHOFSA-N 2 0 258.409 2.973 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000340261004 383394802 /nfs/dbraw/zinc/39/48/02/383394802.db2.gz UGGCRAZYQWGBCW-CYBMUJFWSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@H]2CCCC[NH+]2C[C@H]1C ZINC000450416721 383400219 /nfs/dbraw/zinc/40/02/19/383400219.db2.gz HPBVKZIIKPHEED-FGTMMUONSA-N 2 0 293.499 2.808 20 0 CFADRP CCc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000450420032 383402196 /nfs/dbraw/zinc/40/21/96/383402196.db2.gz JBTBKLFJFXWHNE-UHFFFAOYSA-N 2 0 296.418 2.789 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000252095254 383405172 /nfs/dbraw/zinc/40/51/72/383405172.db2.gz HSDJBDGRNPFEAL-OWSLCNJRSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252476465 383410205 /nfs/dbraw/zinc/41/02/05/383410205.db2.gz YLLOWSDIZDAYTP-RDBSUJKOSA-N 2 0 264.438 2.896 20 0 CFADRP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449639438 383358801 /nfs/dbraw/zinc/35/88/01/383358801.db2.gz OWVCMPKLUSAHCO-DLBZAZTESA-N 2 0 282.472 2.923 20 0 CFADRP CCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000249875482 383366057 /nfs/dbraw/zinc/36/60/57/383366057.db2.gz IEFUMDBAUBPOBF-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000340172987 383367584 /nfs/dbraw/zinc/36/75/84/383367584.db2.gz DDSRFRFCPWQDRH-INIZCTEOSA-N 2 0 299.418 2.631 20 0 CFADRP C[NH+](C/C=C\C[N@@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000340172400 383367757 /nfs/dbraw/zinc/36/77/57/383367757.db2.gz SBZDYVKQIBOGCR-ARJAWSKDSA-N 2 0 274.364 2.993 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340180595 383371074 /nfs/dbraw/zinc/37/10/74/383371074.db2.gz HPKFCZTTXMMQAJ-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250235105 383373845 /nfs/dbraw/zinc/37/38/45/383373845.db2.gz DDMXUFJSFVQHLY-KZNAEPCWSA-N 2 0 288.435 2.835 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250269831 383374610 /nfs/dbraw/zinc/37/46/10/383374610.db2.gz ZVOHLHHWPALBSC-HOTGVXAUSA-N 2 0 262.372 2.585 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000250263871 383374784 /nfs/dbraw/zinc/37/47/84/383374784.db2.gz VSFGBIGEBXCKTL-HRCADAONSA-N 2 0 294.826 2.590 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250365772 383375342 /nfs/dbraw/zinc/37/53/42/383375342.db2.gz UUHVCELKTOMDRL-LRDDRELGSA-N 2 0 262.372 2.744 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000425357015 383376103 /nfs/dbraw/zinc/37/61/03/383376103.db2.gz PUJZNJYZLKTQRZ-MGPQQGTHSA-N 2 0 256.459 2.735 20 0 CFADRP c1ccc(SCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250534133 383376993 /nfs/dbraw/zinc/37/69/93/383376993.db2.gz IZWDALHDGTWARY-GJZGRUSLSA-N 2 0 276.449 2.995 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250524492 383377004 /nfs/dbraw/zinc/37/70/04/383377004.db2.gz VTWUJMXFRMZLMR-UONOGXRCSA-N 2 0 262.397 2.645 20 0 CFADRP COc1cccc(Cl)c1CNCCC[NH+]1CCC1 ZINC000568236232 383379435 /nfs/dbraw/zinc/37/94/35/383379435.db2.gz FINTYZFEYSQBDO-UHFFFAOYSA-N 2 0 268.788 2.534 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COCC1CC1 ZINC000250806841 383380987 /nfs/dbraw/zinc/38/09/87/383380987.db2.gz COUQOXXLNLKRLW-GVDBMIGSSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568248547 383381704 /nfs/dbraw/zinc/38/17/04/383381704.db2.gz ULLVPAQQFWNMKZ-KCQAQPDRSA-N 2 0 260.381 2.678 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C1 ZINC000568247867 383381889 /nfs/dbraw/zinc/38/18/89/383381889.db2.gz ZKVWCXXAMDOEJM-WDEREUQCSA-N 2 0 286.778 2.717 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000250890846 383382088 /nfs/dbraw/zinc/38/20/88/383382088.db2.gz CHSZAMKFZUFQEP-MPKXVKKWSA-N 2 0 252.427 2.875 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@H]1CCCCS1 ZINC000250878335 383382320 /nfs/dbraw/zinc/38/23/20/383382320.db2.gz URLHEDHPYTVXJX-KBUPBQIOSA-N 2 0 268.470 2.782 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000250926190 383382843 /nfs/dbraw/zinc/38/28/43/383382843.db2.gz VNCVPWLAWITUSC-BRWVUGGUSA-N 2 0 273.424 2.790 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250900270 383383173 /nfs/dbraw/zinc/38/31/73/383383173.db2.gz MUAPBOGGVMNDLW-IMJJTQAJSA-N 2 0 274.408 2.973 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251042819 383384454 /nfs/dbraw/zinc/38/44/54/383384454.db2.gz MODWSSHKGHMYJX-SJORKVTESA-N 2 0 276.399 2.893 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000251084367 383385076 /nfs/dbraw/zinc/38/50/76/383385076.db2.gz ZLAHMPFLQZPZOT-HOTGVXAUSA-N 2 0 274.408 2.590 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)CN1CC[NH+](C)CC1 ZINC000340227731 383385232 /nfs/dbraw/zinc/38/52/32/383385232.db2.gz BRPWFRIWCBYWGM-DLBZAZTESA-N 2 0 293.499 2.572 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@@H](c2ccccc2)C1 ZINC000252656470 383424503 /nfs/dbraw/zinc/42/45/03/383424503.db2.gz GMAZOMVEWOVITC-IAGOWNOFSA-N 2 0 274.408 2.544 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000340463530 383426958 /nfs/dbraw/zinc/42/69/58/383426958.db2.gz NCEVZHQSAZMDKO-CQSZACIVSA-N 2 0 294.439 2.530 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000481406083 383427489 /nfs/dbraw/zinc/42/74/89/383427489.db2.gz OYDRRMHYSCFFIQ-NVXWUHKLSA-N 2 0 260.425 2.776 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000482137267 383432189 /nfs/dbraw/zinc/43/21/89/383432189.db2.gz AGTRXUGLWCYZDA-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP C(CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)CC[NH+]1CCCC1 ZINC000340473573 383432999 /nfs/dbraw/zinc/43/29/99/383432999.db2.gz LYWQUOJOSBIAOU-GVDBMIGSSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@]1(C)CCCO1 ZINC000340473364 383433088 /nfs/dbraw/zinc/43/30/88/383433088.db2.gz BNNVYPBDHGVOGR-GUYCJALGSA-N 2 0 294.414 2.935 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634983971 383442381 /nfs/dbraw/zinc/44/23/81/383442381.db2.gz DCDTWUNRHZGKBP-GFCCVEGCSA-N 2 0 291.370 2.788 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000340495170 383442508 /nfs/dbraw/zinc/44/25/08/383442508.db2.gz DSSWMOANBWIBHV-JKSUJKDBSA-N 2 0 292.471 2.618 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634984547 383443852 /nfs/dbraw/zinc/44/38/52/383443852.db2.gz VFQDQHFIDKAOEL-UHFFFAOYSA-N 2 0 284.407 2.592 20 0 CFADRP Cc1ccccc1CC(C)(C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993083 383447543 /nfs/dbraw/zinc/44/75/43/383447543.db2.gz KUKLYNDMQVWIMP-UHFFFAOYSA-N 2 0 258.409 2.658 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000340510494 383449054 /nfs/dbraw/zinc/44/90/54/383449054.db2.gz NJRKKAFHXRZLHN-INIZCTEOSA-N 2 0 292.471 2.619 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000340515379 383450742 /nfs/dbraw/zinc/45/07/42/383450742.db2.gz BLJAXWCAMAPCSP-WFASDCNBSA-N 2 0 296.842 2.821 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340517757 383452116 /nfs/dbraw/zinc/45/21/16/383452116.db2.gz GBKFSVFIPLRWRF-YYIAUSFCSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000340516531 383452127 /nfs/dbraw/zinc/45/21/27/383452127.db2.gz JODQYDHVUNBKMI-DLBZAZTESA-N 2 0 292.471 2.762 20 0 CFADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000634996330 383452206 /nfs/dbraw/zinc/45/22/06/383452206.db2.gz HBTPZQNCHHENER-CVEARBPZSA-N 2 0 275.440 2.624 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000568974414 383454556 /nfs/dbraw/zinc/45/45/56/383454556.db2.gz QMBKJTHIDKXHHC-CRAIPNDOSA-N 2 0 290.451 2.994 20 0 CFADRP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634999969 383457447 /nfs/dbraw/zinc/45/74/47/383457447.db2.gz DJIHGMKPAVORPC-GDBMZVCRSA-N 2 0 276.424 2.892 20 0 CFADRP COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999512 383457851 /nfs/dbraw/zinc/45/78/51/383457851.db2.gz VPHQEEZMXOCPMN-UKRRQHHQSA-N 2 0 284.403 2.875 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002529 383458415 /nfs/dbraw/zinc/45/84/15/383458415.db2.gz UATCNRYKGFNGGP-WOPDTQHZSA-N 2 0 289.379 2.572 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CF)c2ccc(F)cc2)CC[NH2+]1 ZINC000635002769 383458663 /nfs/dbraw/zinc/45/86/63/383458663.db2.gz ZGFSCZFGHATDSJ-JMSVASOKSA-N 2 0 268.351 2.814 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000635001852 383458801 /nfs/dbraw/zinc/45/88/01/383458801.db2.gz HKMRHXPRHHDVHE-JXQTWKCFSA-N 2 0 254.324 2.696 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccncc1 ZINC000635002999 383459529 /nfs/dbraw/zinc/45/95/29/383459529.db2.gz DJSDUBNFSQSWJW-SFHVURJKSA-N 2 0 281.403 2.968 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[C@H]1OC ZINC000635003930 383459591 /nfs/dbraw/zinc/45/95/91/383459591.db2.gz FZJPMLICFMIUQX-KBUPBQIOSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635005722 383462352 /nfs/dbraw/zinc/46/23/52/383462352.db2.gz JSHPBZXAXZPXSR-FMKPAKJESA-N 2 0 273.424 2.564 20 0 CFADRP Cc1cncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000527190651 383462601 /nfs/dbraw/zinc/46/26/01/383462601.db2.gz WGIIOFSMXJAKIH-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP COc1ccc(C2([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000569019773 383462669 /nfs/dbraw/zinc/46/26/69/383462669.db2.gz OHNRDPCTSHLIRJ-KBPBESRZSA-N 2 0 260.381 2.544 20 0 CFADRP CC(C)(F)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635006264 383462997 /nfs/dbraw/zinc/46/29/97/383462997.db2.gz YCEMQGPZJCMQEB-BBRMVZONSA-N 2 0 278.371 2.580 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000635006837 383463120 /nfs/dbraw/zinc/46/31/20/383463120.db2.gz TXAUIJMOGXXSIU-WRQOLXDDSA-N 2 0 280.456 2.689 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC23CCC3)c2c(c1)C[NH2+]CC2 ZINC000635008938 383465343 /nfs/dbraw/zinc/46/53/43/383465343.db2.gz HQKRIPBMYPLAAK-MRXNPFEDSA-N 2 0 256.393 2.755 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000635009631 383465862 /nfs/dbraw/zinc/46/58/62/383465862.db2.gz JIVXVFZPEVXVDS-SJLPKXTDSA-N 2 0 288.435 2.626 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635012401 383467609 /nfs/dbraw/zinc/46/76/09/383467609.db2.gz MHLYEEFWPGUMLW-OAGGEKHMSA-N 2 0 280.456 2.975 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000635012167 383468091 /nfs/dbraw/zinc/46/80/91/383468091.db2.gz RMRYJDGEOJHUSH-NXOAAHMSSA-N 2 0 294.483 2.950 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C12CCC2 ZINC000635012364 383468348 /nfs/dbraw/zinc/46/83/48/383468348.db2.gz TUEXVGZTMAMSRL-RRFJBIMHSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011546 383468403 /nfs/dbraw/zinc/46/84/03/383468403.db2.gz QHJBSZUYORRXIA-ZDUSSCGKSA-N 2 0 270.376 2.646 20 0 CFADRP COC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000635012530 383468647 /nfs/dbraw/zinc/46/86/47/383468647.db2.gz VPVWEPVZMDGOHB-GOSISDBHSA-N 2 0 288.435 2.627 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013524 383469657 /nfs/dbraw/zinc/46/96/57/383469657.db2.gz YYJHYISEOHJDNO-UONOGXRCSA-N 2 0 264.413 2.969 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450459388 383418748 /nfs/dbraw/zinc/41/87/48/383418748.db2.gz KKQJXSFPJLZDCV-LBPRGKRZSA-N 2 0 260.372 2.695 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634950047 383419978 /nfs/dbraw/zinc/41/99/78/383419978.db2.gz HNLXRXSDWZZVRA-HNNXBMFYSA-N 2 0 298.434 2.984 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2nccnc2c1)C[NH+]1CCCCC1 ZINC000634953717 383421822 /nfs/dbraw/zinc/42/18/22/383421822.db2.gz IIKSSVVOPIGLMK-HNNXBMFYSA-N 2 0 298.434 2.841 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC000341053198 383546703 /nfs/dbraw/zinc/54/67/03/383546703.db2.gz GCOJJUQYWSIHNP-WBVHZDCISA-N 2 0 298.430 2.947 20 0 CFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000569936945 383552584 /nfs/dbraw/zinc/55/25/84/383552584.db2.gz DRVSBQKEVLPVGB-FUHWJXTLSA-N 2 0 292.467 2.937 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488467667 383547852 /nfs/dbraw/zinc/54/78/52/383547852.db2.gz WQUMYLRHFBYQCN-ZFWWWQNUSA-N 2 0 259.397 2.544 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488467664 383547882 /nfs/dbraw/zinc/54/78/82/383547882.db2.gz WQUMYLRHFBYQCN-HIFRSBDPSA-N 2 0 259.397 2.544 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC000429001052 383503614 /nfs/dbraw/zinc/50/36/14/383503614.db2.gz UDULPLDHLLESBM-QFBILLFUSA-N 2 0 284.447 2.819 20 0 CFADRP CC[C@H]1C[N@H+](CC)CCN1c1nc(C)nc2c1CCCC2 ZINC000450830145 383509186 /nfs/dbraw/zinc/50/91/86/383509186.db2.gz NJLGQJJABRRECE-AWEZNQCLSA-N 2 0 288.439 2.584 20 0 CFADRP CC[C@@H]1C[N@H+](CC)CCN1c1nc(C)nc2c1CCCC2 ZINC000450830146 383509601 /nfs/dbraw/zinc/50/96/01/383509601.db2.gz NJLGQJJABRRECE-CQSZACIVSA-N 2 0 288.439 2.584 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000261550430 383510003 /nfs/dbraw/zinc/51/00/03/383510003.db2.gz MXNSQWJMESSJDM-YIDVYQOGSA-N 2 0 250.430 2.933 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000261564095 383513962 /nfs/dbraw/zinc/51/39/62/383513962.db2.gz CQHJGOHFAMOTRE-HIFRSBDPSA-N 2 0 262.397 2.515 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)[C@H]1OC ZINC000429312667 383518735 /nfs/dbraw/zinc/51/87/35/383518735.db2.gz CDCZFKCTDIEOMA-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261579825 383519850 /nfs/dbraw/zinc/51/98/50/383519850.db2.gz FBOBRIYCVIFOFN-UXLLHSPISA-N 2 0 256.393 2.605 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261583245 383520057 /nfs/dbraw/zinc/52/00/57/383520057.db2.gz HDGLGEFQTZNTAD-MRXNPFEDSA-N 2 0 262.397 2.646 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450851707 383520304 /nfs/dbraw/zinc/52/03/04/383520304.db2.gz BVXBSTRLLKDVJF-NJAFHUGGSA-N 2 0 290.451 2.567 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429363196 383523238 /nfs/dbraw/zinc/52/32/38/383523238.db2.gz PNKPOSMMCKUDIG-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000488348076 383524406 /nfs/dbraw/zinc/52/44/06/383524406.db2.gz AVBJOAUBFSKGGT-CBZIJGRNSA-N 2 0 294.483 2.854 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261596739 383525372 /nfs/dbraw/zinc/52/53/72/383525372.db2.gz QIWIDOVHRBAHIS-BBRMVZONSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@H]([NH3+])c1ccccc1 ZINC000429589139 383551474 /nfs/dbraw/zinc/55/14/74/383551474.db2.gz MEYBJDRTCYCMNK-IGCXYCKISA-N 2 0 297.402 2.981 20 0 CFADRP FC(F)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261611260 383527463 /nfs/dbraw/zinc/52/74/63/383527463.db2.gz SNKZSWLXZIJCSB-OAHLLOKOSA-N 2 0 266.335 2.810 20 0 CFADRP FC(F)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261611256 383528209 /nfs/dbraw/zinc/52/82/09/383528209.db2.gz SNKZSWLXZIJCSB-HNNXBMFYSA-N 2 0 266.335 2.810 20 0 CFADRP COc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1C ZINC000261618316 383529295 /nfs/dbraw/zinc/52/92/95/383529295.db2.gz CZBAPCQXMMVLIR-ZWKOTPCHSA-N 2 0 296.414 2.930 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C2CC2)c1 ZINC000261651570 383536550 /nfs/dbraw/zinc/53/65/50/383536550.db2.gz YHCUUAKXZJCEMV-SJORKVTESA-N 2 0 256.393 2.605 20 0 CFADRP CS[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](SC)C2)C1 ZINC000569796484 383537693 /nfs/dbraw/zinc/53/76/93/383537693.db2.gz SXSYSDLVEJYJKU-OKILXGFUSA-N 2 0 288.526 2.641 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000488434924 383537987 /nfs/dbraw/zinc/53/79/87/383537987.db2.gz UIIYXRUPDJPDCU-FZMZJTMJSA-N 2 0 250.361 2.633 20 0 CFADRP CC(C)C1CC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000488432619 383538033 /nfs/dbraw/zinc/53/80/33/383538033.db2.gz MCFOHZWHLIRLAB-HPUBIQBYSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CS1 ZINC000488432547 383538091 /nfs/dbraw/zinc/53/80/91/383538091.db2.gz PQEMFBVKAZMQIS-ILXRZTDVSA-N 2 0 270.486 2.838 20 0 CFADRP COC1(C[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)CCC1 ZINC000429516009 383538892 /nfs/dbraw/zinc/53/88/92/383538892.db2.gz OLNAXUZBCHRQRG-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCC1 ZINC000429520339 383539529 /nfs/dbraw/zinc/53/95/29/383539529.db2.gz XRWHKAWOSRFPJT-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CCN1C ZINC000488446252 383541177 /nfs/dbraw/zinc/54/11/77/383541177.db2.gz GUOVHXMNZSLEDS-SYQHCUMBSA-N 2 0 270.486 2.979 20 0 CFADRP CN(CCOc1ccccc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261693391 383543284 /nfs/dbraw/zinc/54/32/84/383543284.db2.gz BKMWKIXMPJWWPM-OAHLLOKOSA-N 2 0 282.815 2.650 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000488752172 383573687 /nfs/dbraw/zinc/57/36/87/383573687.db2.gz QQGDEAINZUBDAE-IYBDPMFKSA-N 2 0 272.436 2.978 20 0 CFADRP CCc1cc(CCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)on1 ZINC000450980791 383576492 /nfs/dbraw/zinc/57/64/92/383576492.db2.gz GLAUKAFCCTZULA-XYPWUTKMSA-N 2 0 291.439 2.727 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC[NH2+]C1 ZINC000261894769 383576522 /nfs/dbraw/zinc/57/65/22/383576522.db2.gz UTAWMAPXAHTNLM-DLBZAZTESA-N 2 0 276.399 2.832 20 0 CFADRP C[NH2+]C[C@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261917220 383579567 /nfs/dbraw/zinc/57/95/67/383579567.db2.gz JXZJUNRAJQVAED-GFCCVEGCSA-N 2 0 290.436 2.570 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000261925601 383580183 /nfs/dbraw/zinc/58/01/83/383580183.db2.gz KZCOGMRFBUZRQW-UWVGGRQHSA-N 2 0 258.818 2.961 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC(C)(F)F ZINC000423145427 532993732 /nfs/dbraw/zinc/99/37/32/532993732.db2.gz KRCAGSWNDSQGKC-YPMHNXCESA-N 2 0 256.340 2.580 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261935260 383583426 /nfs/dbraw/zinc/58/34/26/383583426.db2.gz DDGWYFOUVSLUII-GOEBONIOSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@@]1(CN2CC[C@@](F)(c3ccccc3F)C2)CC[NH2+]C1 ZINC000261952938 383586277 /nfs/dbraw/zinc/58/62/77/383586277.db2.gz GFMWLKRJIYLXAF-CVEARBPZSA-N 2 0 280.362 2.696 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261982399 383589344 /nfs/dbraw/zinc/58/93/44/383589344.db2.gz RNHRCYGSZDJONA-OLZOCXBDSA-N 2 0 250.361 2.600 20 0 CFADRP Fc1ccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261979713 383589585 /nfs/dbraw/zinc/58/95/85/383589585.db2.gz REYIGPUZLVGYFE-ZFWWWQNUSA-N 2 0 262.372 2.615 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000262005422 383593585 /nfs/dbraw/zinc/59/35/85/383593585.db2.gz RFHVLYBEGONPBI-UHFFFAOYSA-N 2 0 275.440 2.574 20 0 CFADRP Cc1nc2ccc(CN(C3CC3)[C@@H]3CC[NH2+]C3)cc2s1 ZINC000262023354 383596356 /nfs/dbraw/zinc/59/63/56/383596356.db2.gz WIFNXZORJFCTAL-CQSZACIVSA-N 2 0 287.432 2.931 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000430760445 383599859 /nfs/dbraw/zinc/59/98/59/383599859.db2.gz IUZZSVDGFSQTFK-UPJWGTAASA-N 2 0 260.372 2.742 20 0 CFADRP C[C@]1([NH3+])CCCC[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262044725 383599908 /nfs/dbraw/zinc/59/99/08/383599908.db2.gz PPSPXJZZQBFDLH-CJNGLKHVSA-N 2 0 286.379 2.570 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000262089022 383603583 /nfs/dbraw/zinc/60/35/83/383603583.db2.gz HWFFDRZHVQXHKX-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262131875 383607183 /nfs/dbraw/zinc/60/71/83/383607183.db2.gz YGOOUKDKNAGKLA-FUHWJXTLSA-N 2 0 288.435 2.702 20 0 CFADRP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262135602 383608647 /nfs/dbraw/zinc/60/86/47/383608647.db2.gz DJWARYBEKQWCTK-QGZVFWFLSA-N 2 0 298.434 2.710 20 0 CFADRP C[N@H+](Cc1ccc(OCC2CC2)cc1)C1CC[NH2+]CC1 ZINC000261766545 383556012 /nfs/dbraw/zinc/55/60/12/383556012.db2.gz DIPVITREKSIAJD-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261770153 383556681 /nfs/dbraw/zinc/55/66/81/383556681.db2.gz DOJSRDFTXRFWGF-NXHRZFHOSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000261787857 383561679 /nfs/dbraw/zinc/56/16/79/383561679.db2.gz FZHIHHMJIYNERS-LALPHHSUSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CCCN1C ZINC000488582536 383563531 /nfs/dbraw/zinc/56/35/31/383563531.db2.gz NUVWVOCUMJANRU-AAVRWANBSA-N 2 0 270.486 2.979 20 0 CFADRP Cc1ncc(CNCc2nc(C(C)(C)C)cs2)n1C ZINC000570827945 383639319 /nfs/dbraw/zinc/63/93/19/383639319.db2.gz RNAUSHRQKMTGGI-UHFFFAOYSA-N 2 0 278.425 2.772 20 0 CFADRP [NH3+]CC12CCC(CC1)CN2CCOC1CCCCCC1 ZINC000570529133 383613108 /nfs/dbraw/zinc/61/31/08/383613108.db2.gz JTGLYGLWMIWSTA-UHFFFAOYSA-N 2 0 280.456 2.929 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430939048 383614242 /nfs/dbraw/zinc/61/42/42/383614242.db2.gz DVLWZTPCTNILEL-UHFFFAOYSA-N 2 0 274.408 2.661 20 0 CFADRP CSc1ccc([C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423144205 533006947 /nfs/dbraw/zinc/00/69/47/533006947.db2.gz GHVARABFTPZILU-IOASZLSFSA-N 2 0 295.496 2.727 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645843209 383766313 /nfs/dbraw/zinc/76/63/13/383766313.db2.gz DJSMFRKTKBUNQR-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccncc1 ZINC000453129859 383778123 /nfs/dbraw/zinc/77/81/23/383778123.db2.gz KVHMLALZFJCBDA-PMPSAXMXSA-N 2 0 261.413 2.995 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000645949207 383803027 /nfs/dbraw/zinc/80/30/27/383803027.db2.gz UJUPLEUMADHJDZ-IAGOWNOFSA-N 2 0 280.456 2.753 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000453217609 383805399 /nfs/dbraw/zinc/80/53/99/383805399.db2.gz MHLDXZYOSPSEDO-KRWDZBQOSA-N 2 0 273.424 2.997 20 0 CFADRP CC(C)OCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530347 383818253 /nfs/dbraw/zinc/81/82/53/383818253.db2.gz CPOXRROISVOYKB-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP COc1ccnc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640530922 383818477 /nfs/dbraw/zinc/81/84/77/383818477.db2.gz ILRXJPZUAOXNOU-UHFFFAOYSA-N 2 0 291.439 2.788 20 0 CFADRP Cc1nnc([C@@H](C)N(C)CCCC[NH+]2CCCCC2)o1 ZINC000640531867 383818514 /nfs/dbraw/zinc/81/85/14/383818514.db2.gz SCYKKHSPQQGYRA-CYBMUJFWSA-N 2 0 280.416 2.637 20 0 CFADRP CCc1noc([C@H](C)N(C)CCCC[NH+]2CCCCC2)n1 ZINC000640531764 383818546 /nfs/dbraw/zinc/81/85/46/383818546.db2.gz QTBQOAQEZLHILN-AWEZNQCLSA-N 2 0 294.443 2.891 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000640534088 383820216 /nfs/dbraw/zinc/82/02/16/383820216.db2.gz LICYGDBSHPRLDJ-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP COc1ccc(OCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422905284 533011227 /nfs/dbraw/zinc/01/12/27/533011227.db2.gz YYWKJNCFXKOJRJ-PBHICJAKSA-N 2 0 292.423 2.571 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C1(C)C ZINC000435885663 383781470 /nfs/dbraw/zinc/78/14/70/383781470.db2.gz MPOOKTKONFMCOU-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP COc1cccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000530669887 383782174 /nfs/dbraw/zinc/78/21/74/383782174.db2.gz HWJMVXXXOFEONP-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[NH2+]C(C)C ZINC000572510470 383788949 /nfs/dbraw/zinc/78/89/49/383788949.db2.gz PQUBXZLNKYNOML-HNNXBMFYSA-N 2 0 262.397 2.660 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436271541 383796304 /nfs/dbraw/zinc/79/63/04/383796304.db2.gz DVWJOHILWSXWAE-UHFFFAOYSA-N 2 0 278.425 2.570 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000422881881 533008486 /nfs/dbraw/zinc/00/84/86/533008486.db2.gz ZKVLYOSDLSBJMI-WBMJQRKESA-N 2 0 289.423 2.943 20 0 CFADRP OCC[C@H](NCCC[NH+]1CCCCC1)c1ccccc1F ZINC000646070009 383847135 /nfs/dbraw/zinc/84/71/35/383847135.db2.gz FVIPFNYWZKKIOP-KRWDZBQOSA-N 2 0 294.414 2.715 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000453373916 383849909 /nfs/dbraw/zinc/84/99/09/383849909.db2.gz HHTQDQQRISBIQN-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1F ZINC000572974833 383851351 /nfs/dbraw/zinc/85/13/51/383851351.db2.gz AQUKWXZIZYNAOD-KBUPBQIOSA-N 2 0 292.398 2.940 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1)C1CC1 ZINC000453419381 383852214 /nfs/dbraw/zinc/85/22/14/383852214.db2.gz ZAQIZGYKZLRJFD-KRWDZBQOSA-N 2 0 298.434 2.963 20 0 CFADRP CCCn1nc(C)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1C ZINC000453592250 383862621 /nfs/dbraw/zinc/86/26/21/383862621.db2.gz DNYRAQDYCXPEME-UHFFFAOYSA-N 2 0 292.471 2.874 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1c(F)ccc(O)c1F)C1CC1 ZINC000453594372 383865996 /nfs/dbraw/zinc/86/59/96/383865996.db2.gz IIKJCBVHCJSNIA-UHFFFAOYSA-N 2 0 284.350 2.634 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646095930 383868699 /nfs/dbraw/zinc/86/86/99/383868699.db2.gz FACJXWWULFQDEF-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CCc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106344 383874399 /nfs/dbraw/zinc/87/43/99/383874399.db2.gz VPCXQTHZKUAWIQ-UHFFFAOYSA-N 2 0 288.435 2.546 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000573107042 383874829 /nfs/dbraw/zinc/87/48/29/383874829.db2.gz QGIHCOPPIMMQGY-UBHSHLNASA-N 2 0 282.815 2.967 20 0 CFADRP O[C@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)C[NH+]1CCCC1 ZINC000531701954 383907743 /nfs/dbraw/zinc/90/77/43/383907743.db2.gz RCCOACQONOLKCY-MSOLQXFVSA-N 2 0 288.435 2.574 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000573338121 383913611 /nfs/dbraw/zinc/91/36/11/383913611.db2.gz DPIGCDXNQBXQCH-KZNAEPCWSA-N 3 0 293.499 2.891 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2sccc2c1 ZINC000423121856 533018689 /nfs/dbraw/zinc/01/86/89/533018689.db2.gz JKYYYJOKEBYXFJ-AWEZNQCLSA-N 2 0 278.421 2.745 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CN1CCCCC1)C1CCOCC1 ZINC000532195546 383989907 /nfs/dbraw/zinc/98/99/07/383989907.db2.gz SEQUPPNFUBEQIU-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438074289 383942485 /nfs/dbraw/zinc/94/24/85/383942485.db2.gz ODUVHEQPOGWNTM-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCCC1 ZINC000438081624 383943897 /nfs/dbraw/zinc/94/38/97/383943897.db2.gz SFOKZYADYYUZLQ-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1CCOCC1 ZINC000531944922 383946844 /nfs/dbraw/zinc/94/68/44/383946844.db2.gz HCEKRBGOFYOLBI-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2ccc3cnn(C)c3c2)CC1 ZINC000573976540 384024507 /nfs/dbraw/zinc/02/45/07/384024507.db2.gz OFTFHNDGZGVYLK-UHFFFAOYSA-N 2 0 286.423 2.537 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000573863001 384003916 /nfs/dbraw/zinc/00/39/16/384003916.db2.gz WWSKSEYRTXNLDX-OWCLPIDISA-N 2 0 273.424 2.515 20 0 CFADRP C[C@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@H](C)S1 ZINC000070387940 412973954 /nfs/dbraw/zinc/97/39/54/412973954.db2.gz ZYELNJUVHPROGP-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1CCOCC1 ZINC000532448188 384031339 /nfs/dbraw/zinc/03/13/39/384031339.db2.gz DLSBXMPIUKOFKW-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000532524325 384041373 /nfs/dbraw/zinc/04/13/73/384041373.db2.gz VDTPJIGTZHTKRJ-CKEIUWERSA-N 2 0 276.424 2.729 20 0 CFADRP CCCN(CC)CC[NH2+]CC1Cc2ccccc2C1 ZINC000574372121 384084690 /nfs/dbraw/zinc/08/46/90/384084690.db2.gz SPYHCOHOBPISIO-UHFFFAOYSA-N 2 0 260.425 2.723 20 0 CFADRP CC[C@H](F)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440491756 384088403 /nfs/dbraw/zinc/08/84/03/384088403.db2.gz HPLUMVYXSLOMPU-MCIONIFRSA-N 2 0 256.409 2.977 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000574400332 384089990 /nfs/dbraw/zinc/08/99/90/384089990.db2.gz HPTGGBVIUMZGDV-MGPQQGTHSA-N 2 0 292.448 2.517 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC000070359131 412974819 /nfs/dbraw/zinc/97/48/19/412974819.db2.gz XUTJWWSIFKKBDA-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(O[C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422785820 533028086 /nfs/dbraw/zinc/02/80/86/533028086.db2.gz KBJXMVDXTPVPLY-NFOMZHRRSA-N 2 0 292.423 2.570 20 0 CFADRP CC(C)C(C[NH+]1CCN(CC[NH+]2CCCC2)CC1)C(C)C ZINC000574429523 384096277 /nfs/dbraw/zinc/09/62/77/384096277.db2.gz KPCCINVFUZBDRH-UHFFFAOYSA-N 2 0 295.515 2.628 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000574510983 384107354 /nfs/dbraw/zinc/10/73/54/384107354.db2.gz KLWLYYORCWQJHD-CQSZACIVSA-N 2 0 274.408 2.964 20 0 CFADRP Cc1nccc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000266194122 384109687 /nfs/dbraw/zinc/10/96/87/384109687.db2.gz HIWOIWWFFXUIER-HNNXBMFYSA-N 2 0 296.418 2.886 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000574981329 384171538 /nfs/dbraw/zinc/17/15/38/384171538.db2.gz XIIXVXFQMWYKQB-LLVKDONJSA-N 2 0 272.339 2.548 20 0 CFADRP C[C@@H]1CCN(c2ccncc2F)C[C@H]1n1ccnc1 ZINC000641435464 384191000 /nfs/dbraw/zinc/19/10/00/384191000.db2.gz IPWYYPWFJVGANA-BXUZGUMPSA-N 2 0 260.316 2.505 20 0 CFADRP CCC[C@@H](C[N@H+](C)C1CC[NH+](CCC)CC1)OC ZINC000637956431 384306992 /nfs/dbraw/zinc/30/69/92/384306992.db2.gz USECLSGWORYDSW-HNNXBMFYSA-N 2 0 256.434 2.608 20 0 CFADRP CO[C@](C)(C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CC1 ZINC000637956877 384307507 /nfs/dbraw/zinc/30/75/07/384307507.db2.gz BKMKENVLZWGIES-QGZVFWFLSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641707956 384280511 /nfs/dbraw/zinc/28/05/11/384280511.db2.gz TYLKDOSVLQIKPE-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000641720877 384293868 /nfs/dbraw/zinc/29/38/68/384293868.db2.gz VNCKUJLXTFNMHH-ZACQAIPSSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641779230 384344130 /nfs/dbraw/zinc/34/41/30/384344130.db2.gz DIDSPPIZRXWJLG-IXDOHACOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641779228 384344327 /nfs/dbraw/zinc/34/43/27/384344327.db2.gz DIDSPPIZRXWJLG-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000641805869 384373860 /nfs/dbraw/zinc/37/38/60/384373860.db2.gz PBCFPSBXXVFSKY-IRXDYDNUSA-N 2 0 284.403 2.934 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000641797937 384362632 /nfs/dbraw/zinc/36/26/32/384362632.db2.gz ARUNPMYXFRXNIV-YESZJQIVSA-N 2 0 292.467 2.942 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000641798218 384365838 /nfs/dbraw/zinc/36/58/38/384365838.db2.gz IYERVMHGPZCSHJ-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000641799504 384366974 /nfs/dbraw/zinc/36/69/74/384366974.db2.gz QGORRPMZERWZDA-OAHLLOKOSA-N 2 0 291.439 2.900 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000641799503 384367462 /nfs/dbraw/zinc/36/74/62/384367462.db2.gz QGORRPMZERWZDA-HNNXBMFYSA-N 2 0 291.439 2.900 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cc2c1 ZINC000641801421 384369233 /nfs/dbraw/zinc/36/92/33/384369233.db2.gz QPVPUVVBDNHVRI-JKSUJKDBSA-N 2 0 269.392 2.759 20 0 CFADRP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c2ccccc2n1 ZINC000641803296 384371725 /nfs/dbraw/zinc/37/17/25/384371725.db2.gz SGZWEHPXCCJUMH-CVEARBPZSA-N 2 0 269.392 2.759 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641765639 384331606 /nfs/dbraw/zinc/33/16/06/384331606.db2.gz RKTVSUGGYDMPSW-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])o1 ZINC000641819986 384380177 /nfs/dbraw/zinc/38/01/77/384380177.db2.gz KNNDFCZOOVKQHK-GXTWGEPZSA-N 2 0 279.428 2.885 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1nsc2ccccc21 ZINC000641823640 384380396 /nfs/dbraw/zinc/38/03/96/384380396.db2.gz SYSOTJQXZXIVGG-WDEREUQCSA-N 2 0 261.394 2.608 20 0 CFADRP Cc1nc(-c2ccccc2)oc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000641823076 384380799 /nfs/dbraw/zinc/38/07/99/384380799.db2.gz QAMNHRHIQLKXBY-WFASDCNBSA-N 2 0 285.391 2.962 20 0 CFADRP Cc1ccc(NC(=O)[C@H]([NH3+])CCC(C)C)c(C[NH+](C)C)c1 ZINC000638116284 384428684 /nfs/dbraw/zinc/42/86/84/384428684.db2.gz LLYRGUAWJOYPLM-OAHLLOKOSA-N 2 0 291.439 2.759 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000638123301 384435024 /nfs/dbraw/zinc/43/50/24/384435024.db2.gz QETRIBVBNFHLMQ-ULQDDVLXSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000638122152 384435691 /nfs/dbraw/zinc/43/56/91/384435691.db2.gz LPGLPOIBMGDBAL-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CCOCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642527530 384436546 /nfs/dbraw/zinc/43/65/46/384436546.db2.gz MMBDFIAAMQZSED-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP CC[C@](C)(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180265 384474156 /nfs/dbraw/zinc/47/41/56/384474156.db2.gz JVLIJKNSECFYMJ-BHYGNILZSA-N 2 0 280.456 2.750 20 0 CFADRP COc1cc(C)c([C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000638185975 384478081 /nfs/dbraw/zinc/47/80/81/384478081.db2.gz HHPPUQAULLUMOP-KFWWJZLASA-N 2 0 274.408 2.524 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643031152 384481162 /nfs/dbraw/zinc/48/11/62/384481162.db2.gz HXSVKOGZLVQZAI-PBHICJAKSA-N 2 0 281.403 2.985 20 0 CFADRP c1ccc(C[NH+]2C[C@H]3C[NH+](CC4CCC4)C[C@@H]3C2)cc1 ZINC000348330057 220290916 /nfs/dbraw/zinc/29/09/16/220290916.db2.gz MOMGDRRJQQAYGY-ROUUACIJSA-N 2 0 270.420 2.850 20 0 CFADRP c1ccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCS2)cc1 ZINC000643057909 384487832 /nfs/dbraw/zinc/48/78/32/384487832.db2.gz ZPHSTCBUFWHYGL-GOEBONIOSA-N 2 0 276.449 2.776 20 0 CFADRP Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C[NH+](C)C)c1 ZINC000638258119 384514947 /nfs/dbraw/zinc/51/49/47/384514947.db2.gz XVFWBPKPQFAADK-HOCLYGCPSA-N 2 0 275.440 2.951 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCCc2ccc(C)nc2)C1 ZINC000354212304 220312096 /nfs/dbraw/zinc/31/20/96/220312096.db2.gz PVJQJBUBLUNTCN-KRWDZBQOSA-N 2 0 275.440 2.644 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]CCC[NH+]1CCCCC1)OC ZINC000638307754 384546979 /nfs/dbraw/zinc/54/69/79/384546979.db2.gz KPDSUNCGGWQVJE-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000278424499 384568776 /nfs/dbraw/zinc/56/87/76/384568776.db2.gz JBNRWEBFTUTSCY-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638339645 384569491 /nfs/dbraw/zinc/56/94/91/384569491.db2.gz HFAKPKSFPOOAMW-GDBMZVCRSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)(C[NH+]1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000643427501 384630127 /nfs/dbraw/zinc/63/01/27/384630127.db2.gz UQIWCDKNMSHQLE-UHFFFAOYSA-N 2 0 258.409 2.792 20 0 CFADRP COc1ncc(C[NH2+]CCCC[NH+]2CCC(C)CC2)s1 ZINC000638369409 384594990 /nfs/dbraw/zinc/59/49/90/384594990.db2.gz HAAUXTDVOVBKGX-UHFFFAOYSA-N 2 0 297.468 2.753 20 0 CFADRP CCOC1CC(C[NH2+]CCCC[NH+]2CCC(C)CC2)C1 ZINC000638371810 384597804 /nfs/dbraw/zinc/59/78/04/384597804.db2.gz TVBJBHIVBJFPNM-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638372639 384598050 /nfs/dbraw/zinc/59/80/50/384598050.db2.gz XUDIYQKOIHUFPO-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638372788 384600899 /nfs/dbraw/zinc/60/08/99/384600899.db2.gz XWXGUCQYWUYIKN-RYTJFDOTSA-N 2 0 290.455 2.544 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638446397 384662897 /nfs/dbraw/zinc/66/28/97/384662897.db2.gz WNYHMYCPUVZVCN-OCCSQVGLSA-N 2 0 298.377 2.760 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000643498731 384663124 /nfs/dbraw/zinc/66/31/24/384663124.db2.gz KDAJERDTELSNDA-OAHLLOKOSA-N 2 0 291.439 2.610 20 0 CFADRP Cc1nccn1CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000268796887 384664814 /nfs/dbraw/zinc/66/48/14/384664814.db2.gz HYPJGVHPALEJEW-HNNXBMFYSA-N 2 0 259.328 2.608 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC000643500942 384665365 /nfs/dbraw/zinc/66/53/65/384665365.db2.gz JLNATDOIGCKGJE-YOEHRIQHSA-N 2 0 258.409 2.523 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000680969510 542392293 /nfs/dbraw/zinc/39/22/93/542392293.db2.gz JWWILQHWEVHTLF-NUEKZKHPSA-N 2 0 282.472 2.898 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000268826955 384671302 /nfs/dbraw/zinc/67/13/02/384671302.db2.gz URMZFVLUALHOBH-JKSUJKDBSA-N 2 0 290.451 2.912 20 0 CFADRP Cc1cc2c(cc1C)[C@@H](NCC[NH2+]C1CC1)CCCO2 ZINC000643507141 384676421 /nfs/dbraw/zinc/67/64/21/384676421.db2.gz UFZSGGOLXAGPEW-INIZCTEOSA-N 2 0 274.408 2.859 20 0 CFADRP C(C[NH2+]C1CC[NH+](CC2CCCC2)CC1)C[C@@H]1CCO1 ZINC000638454732 384673317 /nfs/dbraw/zinc/67/33/17/384673317.db2.gz NNAKVIRKRLSSJG-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000638455944 384674154 /nfs/dbraw/zinc/67/41/54/384674154.db2.gz YFUJHHFGUAWUCV-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCNC1CC1 ZINC000643507118 384674831 /nfs/dbraw/zinc/67/48/31/384674831.db2.gz SSVPUBCIXRMPEN-INIZCTEOSA-N 2 0 264.388 2.734 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000643457106 384636871 /nfs/dbraw/zinc/63/68/71/384636871.db2.gz VSVVDQWMLHLBGQ-WBVHZDCISA-N 2 0 260.425 2.966 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456592 384636928 /nfs/dbraw/zinc/63/69/28/384636928.db2.gz LFOODYCXOTYVNU-TZMCWYRMSA-N 2 0 286.341 2.965 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000643458400 384639216 /nfs/dbraw/zinc/63/92/16/384639216.db2.gz VGPSJMFQMZQYHT-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000643464513 384644439 /nfs/dbraw/zinc/64/44/39/384644439.db2.gz LSQTXAMABGEWGH-WBVHZDCISA-N 2 0 275.440 2.833 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000643467797 384648244 /nfs/dbraw/zinc/64/82/44/384648244.db2.gz LPQVXLWWRHCCFA-OAHLLOKOSA-N 2 0 280.387 2.548 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643474181 384652401 /nfs/dbraw/zinc/65/24/01/384652401.db2.gz MNDJHQRQKOFMJY-ONWVLEABSA-N 2 0 294.483 2.971 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643474109 384652693 /nfs/dbraw/zinc/65/26/93/384652693.db2.gz AFCFLZXKDJRSBS-ILZRDFNYSA-N 2 0 280.456 2.580 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1F ZINC000643477587 384654847 /nfs/dbraw/zinc/65/48/47/384654847.db2.gz PMMHLSFIVWMEPC-AAEUAGOBSA-N 2 0 266.360 2.627 20 0 CFADRP COCCCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268765136 384658691 /nfs/dbraw/zinc/65/86/91/384658691.db2.gz IZZLUEUNIHHFPQ-OAHLLOKOSA-N 2 0 294.439 2.704 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000643493792 384660631 /nfs/dbraw/zinc/66/06/31/384660631.db2.gz OZAYWEGXQSPQKA-ZOBUZTSGSA-N 2 0 290.451 2.852 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000643493747 384662124 /nfs/dbraw/zinc/66/21/24/384662124.db2.gz HRWNUCPLIVYASZ-XKQJLSEDSA-N 2 0 276.424 2.733 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541834 384723012 /nfs/dbraw/zinc/72/30/12/384723012.db2.gz GDIWXZKFBVLLHD-QWHCGFSZSA-N 2 0 252.427 2.801 20 0 CFADRP Cc1nccn1CC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000268855407 384677498 /nfs/dbraw/zinc/67/74/98/384677498.db2.gz ZCFBMRAZEMTMOC-AWEZNQCLSA-N 3 0 295.390 2.728 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000268858370 384677631 /nfs/dbraw/zinc/67/76/31/384677631.db2.gz JBUPTUOPWJKNBI-CABCVRRESA-N 2 0 294.439 2.530 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NCC[NH2+]C2CC2)C3)cc1 ZINC000643507809 384678037 /nfs/dbraw/zinc/67/80/37/384678037.db2.gz PVXATCROAQJZLT-LDLYASANSA-N 2 0 299.462 2.524 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508409 384680309 /nfs/dbraw/zinc/68/03/09/384680309.db2.gz FTMIMCQUGZLTLU-GOEBONIOSA-N 2 0 264.413 2.740 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CCc2c1cc(F)cc2F ZINC000643511224 384682408 /nfs/dbraw/zinc/68/24/08/384682408.db2.gz TVZDECOCMOHDEJ-IAQYHMDHSA-N 2 0 268.351 2.915 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000643514093 384684472 /nfs/dbraw/zinc/68/44/72/384684472.db2.gz WJEGZMHESYOXKV-DAXOMENPSA-N 2 0 262.397 2.754 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CCC[NH2+]C1 ZINC000643518379 384684536 /nfs/dbraw/zinc/68/45/36/384684536.db2.gz AXFVAOJTCSEXBC-HOTGVXAUSA-N 2 0 280.362 2.931 20 0 CFADRP Clc1cccc2c1CC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000643520124 384686950 /nfs/dbraw/zinc/68/69/50/384686950.db2.gz DORJGGNLHSKMES-OAHLLOKOSA-N 2 0 262.784 2.837 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000643520586 384686965 /nfs/dbraw/zinc/68/69/65/384686965.db2.gz FMUYVXQKSFGXDF-FZKQIMNGSA-N 2 0 287.451 2.966 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000643520585 384687522 /nfs/dbraw/zinc/68/75/22/384687522.db2.gz FMUYVXQKSFGXDF-ACJLOTCBSA-N 2 0 287.451 2.966 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cnn1C(C)(C)C ZINC000643522021 384688882 /nfs/dbraw/zinc/68/88/82/384688882.db2.gz GLQJMBPNCHROPM-OCCSQVGLSA-N 2 0 278.444 2.739 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000643522037 384689314 /nfs/dbraw/zinc/68/93/14/384689314.db2.gz GRCORQXUWHQOIQ-OCCSQVGLSA-N 2 0 279.403 2.684 20 0 CFADRP [NH3+][C@H]1C[C@H](NCc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000643523967 384690941 /nfs/dbraw/zinc/69/09/41/384690941.db2.gz QSWPUEAJMLUKNA-ROUUACIJSA-N 2 0 279.387 2.524 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000643524149 384691297 /nfs/dbraw/zinc/69/12/97/384691297.db2.gz PNJOXTPUCGYONU-JRPNMDOOSA-N 2 0 266.335 2.812 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1-n1cccn1 ZINC000643523881 384691866 /nfs/dbraw/zinc/69/18/66/384691866.db2.gz IZMQTJZHGDRYCM-SOUVJXGZSA-N 2 0 284.407 2.793 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000643524331 384693249 /nfs/dbraw/zinc/69/32/49/384693249.db2.gz ICOSQEYMAQOTCF-IKGGRYGDSA-N 2 0 258.409 2.794 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000643524793 384693808 /nfs/dbraw/zinc/69/38/08/384693808.db2.gz IILJADBOQFYAJF-ZWZTZDBGSA-N 2 0 266.335 2.540 20 0 CFADRP CC(C)COc1ccc([C@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643526012 384694758 /nfs/dbraw/zinc/69/47/58/384694758.db2.gz MXVFMIJXAJTDNU-STQMWFEESA-N 2 0 250.386 2.719 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000113701177 412991626 /nfs/dbraw/zinc/99/16/26/412991626.db2.gz FSZQXNJQZHITLO-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c2ccccc12 ZINC000643528596 384700419 /nfs/dbraw/zinc/70/04/19/384700419.db2.gz LSAKVANJDUVNES-NWDGAFQWSA-N 2 0 258.365 2.846 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H](C)[NH3+])cc1F ZINC000643528356 384700470 /nfs/dbraw/zinc/70/04/70/384700470.db2.gz HWLSEOAUUFLMHB-CORIIIEPSA-N 2 0 280.387 2.797 20 0 CFADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528934 384701750 /nfs/dbraw/zinc/70/17/50/384701750.db2.gz RBDPQYWMMRHDNN-VQGNRHNMSA-N 2 0 276.424 2.899 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000643529890 384703197 /nfs/dbraw/zinc/70/31/97/384703197.db2.gz UKTDNNGVWPYGFJ-LNSITVRQSA-N 2 0 266.816 2.988 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(CO)c1 ZINC000643547815 384727274 /nfs/dbraw/zinc/72/72/74/384727274.db2.gz JHEHVNAXFMABAO-BBRMVZONSA-N 2 0 274.408 2.504 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000643534257 384705586 /nfs/dbraw/zinc/70/55/86/384705586.db2.gz PBPZZCOPLWYKIJ-PWSUYJOCSA-N 2 0 265.426 2.553 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-n2cccn2)cc1 ZINC000643533878 384705787 /nfs/dbraw/zinc/70/57/87/384705787.db2.gz HGUQWHGRRYSSIO-PBHICJAKSA-N 2 0 296.418 2.665 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-n2ccnc2)cc1 ZINC000643534206 384706164 /nfs/dbraw/zinc/70/61/64/384706164.db2.gz OIIXXZQHHHFSCY-YOEHRIQHSA-N 2 0 296.418 2.665 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643534993 384706927 /nfs/dbraw/zinc/70/69/27/384706927.db2.gz HDTWBDYZSLKCQI-IRXDYDNUSA-N 2 0 270.420 2.739 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535008 384707006 /nfs/dbraw/zinc/70/70/06/384707006.db2.gz HHOLLVXMCKKCFP-DGCLKSJQSA-N 2 0 291.464 2.815 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643535077 384707802 /nfs/dbraw/zinc/70/78/02/384707802.db2.gz IQOQOVGHAPOXDE-CMPLNLGQSA-N 2 0 279.453 2.807 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccn2)cc1 ZINC000643534825 384707872 /nfs/dbraw/zinc/70/78/72/384707872.db2.gz DJEGKJUGXTZWSX-MSOLQXFVSA-N 2 0 293.414 2.903 20 0 CFADRP COC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000643535818 384709394 /nfs/dbraw/zinc/70/93/94/384709394.db2.gz JSXXMJXZCFUSPL-CABCVRRESA-N 2 0 294.826 2.759 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000643535356 384709913 /nfs/dbraw/zinc/70/99/13/384709913.db2.gz CFEUBLYQQPKHLO-IWCQGFGOSA-N 2 0 270.420 2.910 20 0 CFADRP CCC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536708 384710780 /nfs/dbraw/zinc/71/07/80/384710780.db2.gz VZIDQMNTWRNKER-HUUCEWRRSA-N 2 0 259.397 2.655 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536538 384711291 /nfs/dbraw/zinc/71/12/91/384711291.db2.gz UUOZMVBXCUNNHZ-GDBMZVCRSA-N 2 0 290.382 2.771 20 0 CFADRP CCC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536707 384711957 /nfs/dbraw/zinc/71/19/57/384711957.db2.gz VZIDQMNTWRNKER-GJZGRUSLSA-N 2 0 259.397 2.655 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1C(C)(C)C1(C)C ZINC000643537134 384713816 /nfs/dbraw/zinc/71/38/16/384713816.db2.gz ZWNPXGNDYYCNSL-VXGBXAGGSA-N 2 0 250.430 2.789 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2F)C1 ZINC000269124784 384727578 /nfs/dbraw/zinc/72/75/78/384727578.db2.gz CARSKXOEDFLJPF-ZBFHGGJFSA-N 2 0 262.372 2.742 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)CC[NH+](C)C ZINC000269030360 384715577 /nfs/dbraw/zinc/71/55/77/384715577.db2.gz RMTPUPARZDMKRD-PBHICJAKSA-N 2 0 296.430 2.703 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(CO)c1 ZINC000643547816 384727729 /nfs/dbraw/zinc/72/77/29/384727729.db2.gz JHEHVNAXFMABAO-CJNGLKHVSA-N 2 0 274.408 2.504 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638562906 384742436 /nfs/dbraw/zinc/74/24/36/384742436.db2.gz FFXAEFXQJBUZDG-UHFFFAOYSA-N 2 0 277.412 2.764 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CCc2ccc(C)cc2)CC1 ZINC000638566059 384745933 /nfs/dbraw/zinc/74/59/33/384745933.db2.gz YXOYYICRUQUZKI-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC000638566516 384746425 /nfs/dbraw/zinc/74/64/25/384746425.db2.gz KUHFJVOGKLCMMS-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423228510 533086665 /nfs/dbraw/zinc/08/66/65/533086665.db2.gz ZXESSIRWTMIIJM-GWCFXTLKSA-N 2 0 290.329 2.720 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638666156 384819813 /nfs/dbraw/zinc/81/98/13/384819813.db2.gz IGEUIEVKRTVURI-GOEBONIOSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCCCC1 ZINC000638675042 384828475 /nfs/dbraw/zinc/82/84/75/384828475.db2.gz QUKMEXGHSAAHDY-CQSZACIVSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C1CC[NH+](C)CC1 ZINC000643899931 384784248 /nfs/dbraw/zinc/78/42/48/384784248.db2.gz UAFRQZJHLXMUGC-RCBQFDQVSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCN1CC=CCC1 ZINC000279853489 384787475 /nfs/dbraw/zinc/78/74/75/384787475.db2.gz SALANIKXLQUQOM-AWEZNQCLSA-N 2 0 262.372 2.608 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000638625693 384789894 /nfs/dbraw/zinc/78/98/94/384789894.db2.gz GZXVAKKLHVUWGL-YQQAZPJKSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000638625691 384790754 /nfs/dbraw/zinc/79/07/54/384790754.db2.gz GZXVAKKLHVUWGL-BFYDXBDKSA-N 2 0 294.483 2.780 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CCCC[NH+](C)C)C2CC2)c1 ZINC000269850729 384882165 /nfs/dbraw/zinc/88/21/65/384882165.db2.gz FRHVZACSWUVMDS-SFHVURJKSA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C)ns2)CC1 ZINC000638692496 384838508 /nfs/dbraw/zinc/83/85/08/384838508.db2.gz HTDTTXKOGVRCQE-UHFFFAOYSA-N 2 0 267.442 2.663 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]CCC1CC[NH+](CC)CC1)OC ZINC000638694025 384842628 /nfs/dbraw/zinc/84/26/28/384842628.db2.gz YVGFHAWLVYROHP-ZBFHGGJFSA-N 2 0 270.461 2.759 20 0 CFADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422923453 533098097 /nfs/dbraw/zinc/09/80/97/533098097.db2.gz WFSLEDWNORWOJJ-DOMZBBRYSA-N 2 0 268.376 2.620 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638775104 384909374 /nfs/dbraw/zinc/90/93/74/384909374.db2.gz ASRAKWWLXRCPKF-UHFFFAOYSA-N 2 0 279.403 2.618 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]CC2CCSCC2)CC1 ZINC000638775132 384909649 /nfs/dbraw/zinc/90/96/49/384909649.db2.gz BJCHBTXGZGEYFM-UHFFFAOYSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000644522446 384917336 /nfs/dbraw/zinc/91/73/36/384917336.db2.gz YKSWXLMZWPHMPQ-HUUCEWRRSA-N 2 0 276.424 2.531 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000644522335 384917428 /nfs/dbraw/zinc/91/74/28/384917428.db2.gz OBTMFGFUKUCQNO-YJBOKZPZSA-N 2 0 290.451 2.922 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000638787810 384918667 /nfs/dbraw/zinc/91/86/67/384918667.db2.gz GTIZKBNYKIZEDJ-RRFJBIMHSA-N 2 0 270.486 2.838 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000638787830 384918840 /nfs/dbraw/zinc/91/88/40/384918840.db2.gz JJLUFWUQSDNZNA-DOTOQJQBSA-N 2 0 282.472 2.759 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787850 384919164 /nfs/dbraw/zinc/91/91/64/384919164.db2.gz LUBDVSCFMNILSE-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638788475 384919595 /nfs/dbraw/zinc/91/95/95/384919595.db2.gz KRZMBFJWTGXWGY-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC(CC)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644547076 384925769 /nfs/dbraw/zinc/92/57/69/384925769.db2.gz KCJCBLDUQSCVMA-QGZVFWFLSA-N 2 0 278.440 2.505 20 0 CFADRP Cn1c(C[NH2+]CC2=CC[N@H+](C)CC2)cc2ccccc21 ZINC000638839165 384974175 /nfs/dbraw/zinc/97/41/75/384974175.db2.gz YVOKHRSLBLONSS-UHFFFAOYSA-N 2 0 269.392 2.530 20 0 CFADRP CC[C@](C)(C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638851388 384987308 /nfs/dbraw/zinc/98/73/08/384987308.db2.gz JQCPSDYXOZEKCY-MRXNPFEDSA-N 2 0 264.413 2.653 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638865350 384997932 /nfs/dbraw/zinc/99/79/32/384997932.db2.gz VHXBBFZTXLOCCA-GDBMZVCRSA-N 2 0 292.471 2.971 20 0 CFADRP c1cncc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CCC2)c1 ZINC000280423869 385013285 /nfs/dbraw/zinc/01/32/85/385013285.db2.gz ZOKLXRKQTQJRAJ-KDOFPFPSSA-N 2 0 285.435 2.997 20 0 CFADRP CC(C)[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000280519964 385043499 /nfs/dbraw/zinc/04/34/99/385043499.db2.gz HPXDSPIQQUXGEK-KSZLIROESA-N 2 0 272.436 2.920 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CS[C@H](C)C1)[NH+]1CCCCC1 ZINC000639038183 385110129 /nfs/dbraw/zinc/11/01/29/385110129.db2.gz QYMSPTOMWRRLDZ-MGPQQGTHSA-N 2 0 256.459 2.735 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000270485579 385121315 /nfs/dbraw/zinc/12/13/15/385121315.db2.gz ORHRHJNXKLPYFE-MRXNPFEDSA-N 2 0 276.399 2.989 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CC1(F)F ZINC000639047748 385124354 /nfs/dbraw/zinc/12/43/54/385124354.db2.gz UVEJUIOALRYYKU-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000270517507 385131884 /nfs/dbraw/zinc/13/18/84/385131884.db2.gz SOIUKZLHZXGPTR-RDJZCZTQSA-N 2 0 274.408 2.611 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000270525077 385133948 /nfs/dbraw/zinc/13/39/48/385133948.db2.gz SNVALWMQKPMQLT-AWEZNQCLSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(CO)c1 ZINC000270406032 385091272 /nfs/dbraw/zinc/09/12/72/385091272.db2.gz AZQLKOPHODTRKV-MRXNPFEDSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)[C@@H]1CC1(F)F ZINC000639107559 385200230 /nfs/dbraw/zinc/20/02/30/385200230.db2.gz SBFHOYLXGCWYCZ-UHTWSYAYSA-N 2 0 258.356 2.637 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000270592739 385158799 /nfs/dbraw/zinc/15/87/99/385158799.db2.gz CUNTUJSNKCRFFZ-XYVMCAHJSA-N 2 0 290.451 2.819 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)C1CCCC1 ZINC000639082103 385160947 /nfs/dbraw/zinc/16/09/47/385160947.db2.gz OIVLWHSCMRMMSO-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)[C@H]1CC1(F)F ZINC000639107560 385201220 /nfs/dbraw/zinc/20/12/20/385201220.db2.gz SBFHOYLXGCWYCZ-WCFLWFBJSA-N 2 0 258.356 2.637 20 0 CFADRP Cc1[nH]c2ncnc(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2c1C ZINC000645140219 385210067 /nfs/dbraw/zinc/21/00/67/385210067.db2.gz QEDMROCGFBPBAU-ZDUSSCGKSA-N 2 0 287.411 2.717 20 0 CFADRP CC(=O)Nc1ccccc1CN(C)CCC[NH+]1CCCC1 ZINC000281177337 195136376 /nfs/dbraw/zinc/13/63/76/195136376.db2.gz HHTUTFFEPAYNRT-UHFFFAOYSA-N 2 0 289.423 2.563 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)CCc1ccc2c(c1)CCO2 ZINC000281178005 195137593 /nfs/dbraw/zinc/13/75/93/195137593.db2.gz AQSUTGJUUVYWBG-UHFFFAOYSA-N 2 0 288.435 2.582 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000423211720 533109607 /nfs/dbraw/zinc/10/96/07/533109607.db2.gz LGZJOXAGTPAZFS-KGLIPLIRSA-N 2 0 262.397 2.654 20 0 CFADRP COc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1O ZINC000271054160 385320681 /nfs/dbraw/zinc/32/06/81/385320681.db2.gz YPFCNLBYOAOUOS-UHFFFAOYSA-N 2 0 292.423 2.705 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282252032 385261122 /nfs/dbraw/zinc/26/11/22/385261122.db2.gz JNRVJGHCDRFMMC-MRXNPFEDSA-N 2 0 289.467 2.672 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000639169544 385273850 /nfs/dbraw/zinc/27/38/50/385273850.db2.gz FAINHCOUQNQZQL-QGZVFWFLSA-N 2 0 260.425 2.857 20 0 CFADRP CO[C@](C)(C[NH2+]CCCCC[NH+]1CCCC1)C1CC1 ZINC000639209843 385332814 /nfs/dbraw/zinc/33/28/14/385332814.db2.gz FKPVZLMJMHQWID-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCCc2cnccc2C)C1 ZINC000289046747 197220823 /nfs/dbraw/zinc/22/08/23/197220823.db2.gz BBQGCJMQABYHRY-MRXNPFEDSA-N 2 0 275.440 2.644 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)ccc12 ZINC000639256865 385385187 /nfs/dbraw/zinc/38/51/87/385385187.db2.gz NGZZUQJVKDFZHJ-VHDGCEQUSA-N 2 0 255.365 2.860 20 0 CFADRP CO[C@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000639258500 385387675 /nfs/dbraw/zinc/38/76/75/385387675.db2.gz BIZONHXUSKCOGE-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000639258352 385387973 /nfs/dbraw/zinc/38/79/73/385387973.db2.gz GZBREJZGRZRBNR-YOEHRIQHSA-N 2 0 275.440 2.951 20 0 CFADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000639258351 385388278 /nfs/dbraw/zinc/38/82/78/385388278.db2.gz GZBREJZGRZRBNR-WMLDXEAASA-N 2 0 275.440 2.951 20 0 CFADRP Cc1ncc([C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000639206880 385328312 /nfs/dbraw/zinc/32/83/12/385328312.db2.gz CTGFTIAOHHUNIJ-RHSMWYFYSA-N 2 0 288.439 2.572 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000271885206 385395683 /nfs/dbraw/zinc/39/56/83/385395683.db2.gz QPIJWQSTJSOHTL-UHFFFAOYSA-N 2 0 285.435 2.507 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000271909243 385398216 /nfs/dbraw/zinc/39/82/16/385398216.db2.gz XNYWCULLTHXOTB-OAHLLOKOSA-N 2 0 278.346 2.804 20 0 CFADRP CCC[C@H](C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639285118 385412848 /nfs/dbraw/zinc/41/28/48/385412848.db2.gz BSHFOYWEVWMCSC-KURKYZTESA-N 2 0 290.451 2.737 20 0 CFADRP Cc1ncc(C[NH2+][C@H](C)Cn2cccn2)n1-c1ccccc1 ZINC000271975156 385416028 /nfs/dbraw/zinc/41/60/28/385416028.db2.gz NORXRHWPGRZLEZ-CQSZACIVSA-N 2 0 295.390 2.556 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC1(F)F ZINC000639302301 385429513 /nfs/dbraw/zinc/42/95/13/385429513.db2.gz LHSMUSJVKIVHLS-LOWDOPEQSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cncc3c2CCCC3)CC[N@@H+]1C ZINC000639303748 385431197 /nfs/dbraw/zinc/43/11/97/385431197.db2.gz SWDKDYSEOAQAKY-OCCSQVGLSA-N 2 0 259.397 2.855 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)C1 ZINC000639307504 385435371 /nfs/dbraw/zinc/43/53/71/385435371.db2.gz AGIJEFUOMDUZEF-ZSHCYNCHSA-N 2 0 296.499 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@@H]1CC1(F)F ZINC000639351910 385474838 /nfs/dbraw/zinc/47/48/38/385474838.db2.gz LTZWNDJZWJOXDR-UHTWSYAYSA-N 2 0 258.356 2.637 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccccc43)[C@@H]2C1 ZINC000272209595 385475154 /nfs/dbraw/zinc/47/51/54/385475154.db2.gz PZEJLOHLFNVQGN-CXAGYDPISA-N 2 0 267.376 2.765 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000639335524 385461161 /nfs/dbraw/zinc/46/11/61/385461161.db2.gz SVVRILXPMPMVRN-GOSISDBHSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@](C)(C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335806 385461494 /nfs/dbraw/zinc/46/14/94/385461494.db2.gz XTOYQMJJSZJMNZ-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335622 385461593 /nfs/dbraw/zinc/46/15/93/385461593.db2.gz VURZYRACUXNLPP-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000639338753 385463894 /nfs/dbraw/zinc/46/38/94/385463894.db2.gz VPWMJVKVNYPHIV-KLAILNCOSA-N 2 0 280.456 2.513 20 0 CFADRP COCC(C)(C)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374181 385491175 /nfs/dbraw/zinc/49/11/75/385491175.db2.gz CRIWNRFVZYRHSB-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000639375597 385492123 /nfs/dbraw/zinc/49/21/23/385492123.db2.gz XQEHBSFFHHMDLN-OAHLLOKOSA-N 2 0 266.429 2.506 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@](C)(OC)C2CC2)CC1 ZINC000639377679 385495183 /nfs/dbraw/zinc/49/51/83/385495183.db2.gz GHDBNYJCIVLQHH-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000639378553 385495292 /nfs/dbraw/zinc/49/52/92/385495292.db2.gz IFHSLHQSCVSIHW-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@]1(O)CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000639385749 385504548 /nfs/dbraw/zinc/50/45/48/385504548.db2.gz VIOUNUFMGJKGAI-HNNXBMFYSA-N 2 0 291.420 2.671 20 0 CFADRP CN(Cc1ccc(Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395481 385514041 /nfs/dbraw/zinc/51/40/41/385514041.db2.gz AFAJJLHJHRBKPD-OAHLLOKOSA-N 2 0 264.800 2.866 20 0 CFADRP C[C@H]1CCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284089647 385533803 /nfs/dbraw/zinc/53/38/03/385533803.db2.gz LVYLPAQONBGIIG-FUHWJXTLSA-N 2 0 288.435 2.762 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000284057234 385528435 /nfs/dbraw/zinc/52/84/35/385528435.db2.gz KNKYLROGQKOSBR-SUMWQHHRSA-N 2 0 286.419 2.844 20 0 CFADRP C[C@@H]([NH2+]CCCCCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604420 385574157 /nfs/dbraw/zinc/57/41/57/385574157.db2.gz YYGUPLGUHQJSBZ-SJLPKXTDSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@H]([NH2+]C1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564481 385565410 /nfs/dbraw/zinc/56/54/10/385565410.db2.gz FFBQSYBMVLUFFN-DOTOQJQBSA-N 2 0 288.435 2.666 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000122388462 413005538 /nfs/dbraw/zinc/00/55/38/413005538.db2.gz QUUGVYHVBFERSV-HOCLYGCPSA-N 2 0 262.397 2.645 20 0 CFADRP CCC[C@H](C)C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288677836 197143637 /nfs/dbraw/zinc/14/36/37/197143637.db2.gz WVUBSBJONQWXNU-HNNXBMFYSA-N 2 0 293.455 2.938 20 0 CFADRP FCCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684453 385660326 /nfs/dbraw/zinc/66/03/26/385660326.db2.gz VJTJEKBBFORHND-UHFFFAOYSA-N 2 0 265.376 2.734 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(C(C)(C)C)on3)C2)CC1 ZINC000639755218 385697541 /nfs/dbraw/zinc/69/75/41/385697541.db2.gz IIKAOLOBMQGVQS-UHFFFAOYSA-N 2 0 291.439 2.890 20 0 CFADRP Cc1ccc(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757467 385698331 /nfs/dbraw/zinc/69/83/31/385698331.db2.gz MILVXYJRCFGRSI-UHFFFAOYSA-N 2 0 272.436 2.955 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]CCSCc1ccccc1 ZINC000274346001 385772213 /nfs/dbraw/zinc/77/22/13/385772213.db2.gz GCYMNPYDYWOSRW-AWEZNQCLSA-N 2 0 266.454 2.850 20 0 CFADRP CC[C@](C)(NC[C@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC000639928785 385778977 /nfs/dbraw/zinc/77/89/77/385778977.db2.gz OHVCQWDGMRPCCM-IRXDYDNUSA-N 2 0 296.430 2.742 20 0 CFADRP Cc1cccc2c(NCCN3CC[NH+](C)CC3)c(C)c[nH+]c12 ZINC000274128252 385723938 /nfs/dbraw/zinc/72/39/38/385723938.db2.gz DQOUMPRNAFDVFQ-UHFFFAOYSA-N 2 0 298.434 2.511 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981711 385802492 /nfs/dbraw/zinc/80/24/92/385802492.db2.gz PGRBWUBYHKWEPF-KRWDZBQOSA-N 3 0 293.499 2.811 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC2(O)CCCC2)CC1 ZINC000639987043 385807087 /nfs/dbraw/zinc/80/70/87/385807087.db2.gz VEEZYXQEEXKQLH-UHFFFAOYSA-N 2 0 280.456 2.632 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)CCOC)CC1 ZINC000639987263 385807989 /nfs/dbraw/zinc/80/79/89/385807989.db2.gz ZQDCPCXBQWKHMJ-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(CC[NH+]2CCCCC2)CC1 ZINC000639987934 385808287 /nfs/dbraw/zinc/80/82/87/385808287.db2.gz KXDYEVDFWYVURG-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000274583868 385828626 /nfs/dbraw/zinc/82/86/26/385828626.db2.gz HRDQEWNBVLOQFB-ZDUSSCGKSA-N 2 0 291.439 2.853 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000274778734 385870015 /nfs/dbraw/zinc/87/00/15/385870015.db2.gz ORBOOOQRZVXQKC-YQQAZPJKSA-N 2 0 298.434 2.971 20 0 CFADRP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274790262 385870592 /nfs/dbraw/zinc/87/05/92/385870592.db2.gz BWXBQZLKAPNKBN-INMHGKMJSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccccc1F ZINC000275238009 385963208 /nfs/dbraw/zinc/96/32/08/385963208.db2.gz GINYTZPKNOGITL-IUODEOHRSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276997237 386103116 /nfs/dbraw/zinc/10/31/16/386103116.db2.gz YBQMJXPHYFNLIN-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000359428784 285218279 /nfs/dbraw/zinc/21/82/79/285218279.db2.gz HSZHHRRHTUOREV-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423285043 533161745 /nfs/dbraw/zinc/16/17/45/533161745.db2.gz ZFBUWQSNTUKPIQ-LRDDRELGSA-N 2 0 292.398 2.801 20 0 CFADRP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CCCC1 ZINC000446746363 285237769 /nfs/dbraw/zinc/23/77/69/285237769.db2.gz UDPJHCVIONYTTA-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000125110210 413015319 /nfs/dbraw/zinc/01/53/19/413015319.db2.gz DVWMBNFWAYEWCA-ULQDDVLXSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414705432 297395963 /nfs/dbraw/zinc/39/59/63/297395963.db2.gz NJUHJIDAQMWEQX-HUUCEWRRSA-N 2 0 294.414 2.915 20 0 CFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449124403 285258101 /nfs/dbraw/zinc/25/81/01/285258101.db2.gz QBIGUOYZYLWXAN-KRWDZBQOSA-N 2 0 294.483 2.783 20 0 CFADRP OCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188037571 285266487 /nfs/dbraw/zinc/26/64/87/285266487.db2.gz IDMMUIIWJFVRCR-QAPCUYQASA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000129062028 413027234 /nfs/dbraw/zinc/02/72/34/413027234.db2.gz YJABGCJINZWCBZ-PWSUYJOCSA-N 2 0 288.313 2.897 20 0 CFADRP Fc1cncc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000281331248 195200530 /nfs/dbraw/zinc/20/05/30/195200530.db2.gz TZEOVWSSMDTISQ-SJCJKPOMSA-N 2 0 289.398 2.746 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000682133555 542524243 /nfs/dbraw/zinc/52/42/43/542524243.db2.gz ODQDTOHTAYZKCT-QGZVFWFLSA-N 2 0 298.434 2.821 20 0 CFADRP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000682239884 542537314 /nfs/dbraw/zinc/53/73/14/542537314.db2.gz KEOJDGMYQNTXGR-GFCCVEGCSA-N 2 0 271.364 2.694 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1[NH3+] ZINC000134094137 413045940 /nfs/dbraw/zinc/04/59/40/413045940.db2.gz PEHSSOXSFGNEHK-CJNGLKHVSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000282154283 195522870 /nfs/dbraw/zinc/52/28/70/195522870.db2.gz CXMGGLOLKMKZHG-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000422942898 285373971 /nfs/dbraw/zinc/37/39/71/285373971.db2.gz KXZBURBHSAXNGF-FZMZJTMJSA-N 2 0 298.814 2.507 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2(OC)CCCCC2)C1 ZINC000421823308 285382146 /nfs/dbraw/zinc/38/21/46/285382146.db2.gz ZEEAUUZPDZLZQB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000682671997 542578023 /nfs/dbraw/zinc/57/80/23/542578023.db2.gz SGCLSSNPOYVTHO-CGZBRXJRSA-N 2 0 287.451 2.728 20 0 CFADRP COC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000421876421 285397014 /nfs/dbraw/zinc/39/70/14/285397014.db2.gz KUFSPCIFKQGGAI-GPANFISMSA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000414180080 285399861 /nfs/dbraw/zinc/39/98/61/285399861.db2.gz LJLIYBZNTOPQJJ-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2cccn2)cc1 ZINC000422813908 533337771 /nfs/dbraw/zinc/33/77/71/533337771.db2.gz YZHREGKJJDRULG-IUDNXUCKSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422805510 533338243 /nfs/dbraw/zinc/33/82/43/533338243.db2.gz JFXXMXFGSBBBTM-BZOOQXSSSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423320677 533355162 /nfs/dbraw/zinc/35/51/62/533355162.db2.gz FVDCDLXMHNPZFD-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)C1C[NH2+]C1 ZINC000422704857 533365043 /nfs/dbraw/zinc/36/50/43/533365043.db2.gz QLGVPMRWLRQYGM-LLVKDONJSA-N 2 0 298.352 2.935 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422944705 533365361 /nfs/dbraw/zinc/36/53/61/533365361.db2.gz LZMCZKNCYHTVKO-XJKSGUPXSA-N 2 0 276.424 2.703 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000423333128 533365642 /nfs/dbraw/zinc/36/56/42/533365642.db2.gz DVMDDTBCNGGTNE-CYBMUJFWSA-N 2 0 256.393 2.746 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423346440 533365741 /nfs/dbraw/zinc/36/57/41/533365741.db2.gz PGHLWFGSHHXVIP-SNVBAGLBSA-N 2 0 252.308 2.535 20 0 CFADRP C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422886379 533383336 /nfs/dbraw/zinc/38/33/36/533383336.db2.gz WPEPPCVXMOGVRI-QLFBSQMISA-N 2 0 290.455 2.513 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CN[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422730193 533323609 /nfs/dbraw/zinc/32/36/09/533323609.db2.gz LTFNEADXZOZOFX-INMHGKMJSA-N 2 0 289.467 2.846 20 0 CFADRP COc1ccc2cc(C[NH2+][C@H](C)C3C[NH2+]C3)ccc2c1 ZINC000422797512 533330974 /nfs/dbraw/zinc/33/09/74/533330974.db2.gz MZJDDPBRLDRVHV-GFCCVEGCSA-N 2 0 270.376 2.546 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357629 533400549 /nfs/dbraw/zinc/40/05/49/533400549.db2.gz MKWIMMXJROVGNS-XHSDSOJGSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420362594 533402032 /nfs/dbraw/zinc/40/20/32/533402032.db2.gz AXDFWMJJMHOAHJ-VXGBXAGGSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000423246486 533404557 /nfs/dbraw/zinc/40/45/57/533404557.db2.gz KENCFLGAKQCYBH-VXGBXAGGSA-N 2 0 284.350 2.938 20 0 CFADRP COc1c(C)cnc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414718125 533409973 /nfs/dbraw/zinc/40/99/73/533409973.db2.gz VKALWPXBVAZYMS-UKRRQHHQSA-N 2 0 291.439 2.527 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422743235 533475059 /nfs/dbraw/zinc/47/50/59/533475059.db2.gz SXQHFIWNPGNCOT-AWEZNQCLSA-N 2 0 264.413 2.735 20 0 CFADRP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422730674 533475193 /nfs/dbraw/zinc/47/51/93/533475193.db2.gz FDWRBUAIQPQMBH-XYPWUTKMSA-N 2 0 274.408 2.500 20 0 CFADRP COc1ccc(CC[N@H+](CCC[NH3+])CC(C)(C)C)cc1 ZINC000414717838 533478511 /nfs/dbraw/zinc/47/85/11/533478511.db2.gz YGPAIFHOQWLYHH-UHFFFAOYSA-N 2 0 278.440 2.935 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc2n[nH]cc2c1 ZINC000423107874 533496577 /nfs/dbraw/zinc/49/65/77/533496577.db2.gz LKNDEPMQIZQRHN-NWDGAFQWSA-N 2 0 260.385 2.731 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423124920 533496647 /nfs/dbraw/zinc/49/66/47/533496647.db2.gz MZCVBPUDEPQVQF-UXLLHSPISA-N 2 0 276.424 2.712 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(Cl)c1 ZINC000422888836 533499161 /nfs/dbraw/zinc/49/91/61/533499161.db2.gz OEHNUJVUQNKHOX-XJKSGUPXSA-N 2 0 296.842 2.998 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(Cl)c1 ZINC000422888833 533501755 /nfs/dbraw/zinc/50/17/55/533501755.db2.gz OEHNUJVUQNKHOX-BBRMVZONSA-N 2 0 296.842 2.998 20 0 CFADRP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422738333 533502195 /nfs/dbraw/zinc/50/21/95/533502195.db2.gz YKKDZTYDQUJPHD-HNAYVOBHSA-N 2 0 298.430 2.786 20 0 CFADRP COc1cc(C)c(C[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000415012151 533574414 /nfs/dbraw/zinc/57/44/14/533574414.db2.gz IUISRALJUSZINR-ZDUSSCGKSA-N 2 0 280.412 2.619 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414874419 533580131 /nfs/dbraw/zinc/58/01/31/533580131.db2.gz AYTZLSBNXKCSDI-QMMMGPOBSA-N 2 0 264.266 2.671 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422809551 533532242 /nfs/dbraw/zinc/53/22/42/533532242.db2.gz SBWUWBSTYXHTSM-NXEZZACHSA-N 2 0 270.323 2.547 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000414696201 533538994 /nfs/dbraw/zinc/53/89/94/533538994.db2.gz PSSRTGXVEICCML-GOEBONIOSA-N 2 0 276.424 2.824 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)n1 ZINC000414858210 533539181 /nfs/dbraw/zinc/53/91/81/533539181.db2.gz IDMZEECEQGERTC-CQSZACIVSA-N 2 0 291.439 2.663 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000423101910 533541226 /nfs/dbraw/zinc/54/12/26/533541226.db2.gz DOINMUJNQHLLEI-XJKSGUPXSA-N 2 0 281.419 2.536 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000414696204 533541660 /nfs/dbraw/zinc/54/16/60/533541660.db2.gz PSSRTGXVEICCML-HOCLYGCPSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000422805538 533542375 /nfs/dbraw/zinc/54/23/75/533542375.db2.gz JJBNSAFNGMWFIG-ZBFHGGJFSA-N 2 0 284.407 2.665 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000414696207 533542598 /nfs/dbraw/zinc/54/25/98/533542598.db2.gz PSSRTGXVEICCML-ZBFHGGJFSA-N 2 0 276.424 2.824 20 0 CFADRP COc1ccc(C[N@H+](CCC[NH3+])[C@@H](C)C2CC2)cc1 ZINC000414682787 533547553 /nfs/dbraw/zinc/54/75/53/533547553.db2.gz RZDRKVTVDPDOEB-ZDUSSCGKSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422933607 533553543 /nfs/dbraw/zinc/55/35/43/533553543.db2.gz BMSJFLOPEDFNNS-NSHDSACASA-N 2 0 290.329 2.801 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423144312 533553670 /nfs/dbraw/zinc/55/36/70/533553670.db2.gz GRWQQULANKHRPL-NSHDSACASA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1cccc(Cl)c1 ZINC000422938282 533553839 /nfs/dbraw/zinc/55/38/39/533553839.db2.gz DMXBBLXQUHRCBF-LBPRGKRZSA-N 2 0 254.805 2.990 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)c2cccnc12 ZINC000415015862 533554841 /nfs/dbraw/zinc/55/48/41/533554841.db2.gz BJNOQHHJYFMARJ-NSHDSACASA-N 2 0 261.344 2.591 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000422789198 533554858 /nfs/dbraw/zinc/55/48/58/533554858.db2.gz BHIJYAVQNJSJLN-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423097045 533554889 /nfs/dbraw/zinc/55/48/89/533554889.db2.gz ACYPWLMCEDIBTL-WFASDCNBSA-N 2 0 283.847 2.660 20 0 CFADRP Cc1[nH+]ccc(NCCCC[N@@H+](C)C2CC2)c1Cl ZINC000413347105 533638377 /nfs/dbraw/zinc/63/83/77/533638377.db2.gz KDZITIHLEPVWHW-UHFFFAOYSA-N 2 0 267.804 2.752 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414849079 533656227 /nfs/dbraw/zinc/65/62/27/533656227.db2.gz HDBCWGKGALLCRP-DZGCQCFKSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H](O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682756641 542587154 /nfs/dbraw/zinc/58/71/54/542587154.db2.gz VAIHSQGKPXFXDM-MRXNPFEDSA-N 2 0 282.472 2.735 20 0 CFADRP CSC1(C[NH2+]Cc2cccc(C)c2)CC[NH+](C)CC1 ZINC000353221282 130079930 /nfs/dbraw/zinc/07/99/30/130079930.db2.gz FANSLFRZMCSERP-UHFFFAOYSA-N 2 0 278.465 2.912 20 0 CFADRP FCCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341875473 130103091 /nfs/dbraw/zinc/10/30/91/130103091.db2.gz LCPCPOHUODNGMZ-UHFFFAOYSA-N 2 0 286.435 2.703 20 0 CFADRP CCc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342082351 130243344 /nfs/dbraw/zinc/24/33/44/130243344.db2.gz IHMMZMNZTKLGPC-KSZLIROESA-N 2 0 272.436 2.851 20 0 CFADRP CCc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342082352 130244112 /nfs/dbraw/zinc/24/41/12/130244112.db2.gz IHMMZMNZTKLGPC-OKZBNKHCSA-N 2 0 272.436 2.851 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095668 130256595 /nfs/dbraw/zinc/25/65/95/130256595.db2.gz YJEDZKGKIYRXBR-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)C[C@H]21 ZINC000342113952 130271064 /nfs/dbraw/zinc/27/10/64/130271064.db2.gz WKJKULYXDFUGGB-BPLDGKMQSA-N 2 0 296.361 2.847 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)ccn2)[C@@H](C)C1 ZINC000683018173 542628732 /nfs/dbraw/zinc/62/87/32/542628732.db2.gz ZRJWLOCHCZRNTL-GOEBONIOSA-N 2 0 261.413 2.552 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366764205 130354532 /nfs/dbraw/zinc/35/45/32/130354532.db2.gz UYUMIKFYIBZWRR-JKSUJKDBSA-N 2 0 292.471 2.768 20 0 CFADRP Cc1c[nH]nc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000356131877 130377655 /nfs/dbraw/zinc/37/76/55/130377655.db2.gz USIQONBDAKJGOB-UHFFFAOYSA-N 2 0 290.455 2.806 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301932 285473805 /nfs/dbraw/zinc/47/38/05/285473805.db2.gz ISIGXGCIKBRMFE-IRXDYDNUSA-N 2 0 258.409 2.597 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCOC(C)(C)C)CC1 ZINC000683227990 542656359 /nfs/dbraw/zinc/65/63/59/542656359.db2.gz LDMHWWVLVSOARJ-AWEZNQCLSA-N 2 0 256.434 2.608 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423543547 285500534 /nfs/dbraw/zinc/50/05/34/285500534.db2.gz HPFFAPCWBBEDFA-YQVWRLOYSA-N 2 0 284.447 2.912 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)COC2 ZINC000268742867 132060064 /nfs/dbraw/zinc/06/00/64/132060064.db2.gz QSYBGMWRMNCKNB-ZDUSSCGKSA-N 2 0 276.424 2.955 20 0 CFADRP CC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268835509 132073677 /nfs/dbraw/zinc/07/36/77/132073677.db2.gz XZJSUXQHORYRKW-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000300687994 393468136 /nfs/dbraw/zinc/46/81/36/393468136.db2.gz YOCXZYDCJUJJIZ-YESZJQIVSA-N 2 0 281.488 2.617 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000373524066 393468243 /nfs/dbraw/zinc/46/82/43/393468243.db2.gz QSGRIYXAPYGAEI-ZKLCHKPXSA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300687993 393468407 /nfs/dbraw/zinc/46/84/07/393468407.db2.gz YOCXZYDCJUJJIZ-GVDBMIGSSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305179328 393500359 /nfs/dbraw/zinc/50/03/59/393500359.db2.gz VYWORYQGCHZRDT-OAGGEKHMSA-N 2 0 282.472 2.638 20 0 CFADRP CCSCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000306039146 393505298 /nfs/dbraw/zinc/50/52/98/393505298.db2.gz ROBZXRQSHUNJQM-BFHYXJOUSA-N 2 0 256.459 2.640 20 0 CFADRP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000183198797 393517804 /nfs/dbraw/zinc/51/78/04/393517804.db2.gz HASKZONBRKGOJF-UNEWFSDZSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000037649045 393533454 /nfs/dbraw/zinc/53/34/54/393533454.db2.gz DQEJGZJHRIZHSU-QWHCGFSZSA-N 2 0 292.398 2.969 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000379021228 393550336 /nfs/dbraw/zinc/55/03/36/393550336.db2.gz BEHZATUXTWRCHN-ZWKOTPCHSA-N 2 0 288.435 2.838 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](C)C[NH+](C)C ZINC000380424496 393556377 /nfs/dbraw/zinc/55/63/77/393556377.db2.gz IQUXVGWOVRJSIN-GUYCJALGSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@H]([C@@H]1CC[NH2+]C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000400697346 393600957 /nfs/dbraw/zinc/60/09/57/393600957.db2.gz BGQOZJCESZXVLA-CRAIPNDOSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401000742 393602089 /nfs/dbraw/zinc/60/20/89/393602089.db2.gz MMVQODFHDITLDZ-YIYPIFLZSA-N 2 0 264.438 2.657 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000400983516 393602458 /nfs/dbraw/zinc/60/24/58/393602458.db2.gz VJMVUEFUQRRKCR-JJXSEGSLSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000191853467 393609653 /nfs/dbraw/zinc/60/96/53/393609653.db2.gz XHYJOHWVNWTNOY-UBDQQSCGSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)[C@H]1CC[NH3+] ZINC000404328015 393617158 /nfs/dbraw/zinc/61/71/58/393617158.db2.gz NUDLSIDRQRECHK-AGIUHOORSA-N 2 0 260.372 2.871 20 0 CFADRP Cc1cccc(CC[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000051668638 393617391 /nfs/dbraw/zinc/61/73/91/393617391.db2.gz DZVZLAUCSMPIBW-UHFFFAOYSA-N 2 0 260.425 3.000 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000404844022 393621828 /nfs/dbraw/zinc/62/18/28/393621828.db2.gz CTRCQKJBZXJUMB-RYUDHWBXSA-N 2 0 270.323 2.503 20 0 CFADRP C1[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@@H]1C1CC[NH2+]CC1 ZINC000334834186 393624463 /nfs/dbraw/zinc/62/44/63/393624463.db2.gz YXPIMQLLYSNUIM-DLBZAZTESA-N 2 0 292.467 2.704 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC3 ZINC000334838288 393624596 /nfs/dbraw/zinc/62/45/96/393624596.db2.gz SRZISNMIYHSOGW-GJZGRUSLSA-N 2 0 297.446 2.923 20 0 CFADRP CC1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]CC1 ZINC000334866512 393625516 /nfs/dbraw/zinc/62/55/16/393625516.db2.gz XGUUXUDHJKVZOG-HNNXBMFYSA-N 2 0 278.827 2.787 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000334983892 393631457 /nfs/dbraw/zinc/63/14/57/393631457.db2.gz UGXVFADJXIFYNQ-WBVHZDCISA-N 2 0 273.424 2.662 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccnn1C ZINC000192860207 393634314 /nfs/dbraw/zinc/63/43/14/393634314.db2.gz IMGRXDWVDAGPQJ-HNNXBMFYSA-N 2 0 278.444 2.727 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000085098610 393750934 /nfs/dbraw/zinc/75/09/34/393750934.db2.gz FCWIHMWJHWUXKX-ORIJERBGSA-N 2 0 250.430 2.885 20 0 CFADRP Oc1cccc2c(NC[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000684568036 542827675 /nfs/dbraw/zinc/82/76/75/542827675.db2.gz BRRAZROHVMBWKX-GFCCVEGCSA-N 2 0 283.375 2.837 20 0 CFADRP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411414437 393710606 /nfs/dbraw/zinc/71/06/06/393710606.db2.gz BITGFRUNQXBYFY-CRAIPNDOSA-N 2 0 288.435 2.628 20 0 CFADRP Fc1cc(F)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000335967608 393711635 /nfs/dbraw/zinc/71/16/35/393711635.db2.gz HIWKBKPDKZQCLQ-HNNXBMFYSA-N 2 0 266.335 2.540 20 0 CFADRP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411432161 393712175 /nfs/dbraw/zinc/71/21/75/393712175.db2.gz YLQLLCLHKXDENB-CRAIPNDOSA-N 2 0 288.435 2.628 20 0 CFADRP CC(C)[C@@H](CO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411502026 393718678 /nfs/dbraw/zinc/71/86/78/393718678.db2.gz IEORHAYBGMDIIR-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000222930368 393764105 /nfs/dbraw/zinc/76/41/05/393764105.db2.gz VVFGQMDNJQEIHS-JLLWLGSASA-N 2 0 254.324 2.885 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000223021998 393764945 /nfs/dbraw/zinc/76/49/45/393764945.db2.gz PAXNMSDVRIHSBG-CYZMBNFOSA-N 2 0 252.427 2.847 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000089142149 393766085 /nfs/dbraw/zinc/76/60/85/393766085.db2.gz AGRQKKAZQWZOPM-YUTCNCBUSA-N 2 0 276.380 2.583 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000090461461 393778029 /nfs/dbraw/zinc/77/80/29/393778029.db2.gz WNMJAKPSSADVFB-ZJIFWQFVSA-N 2 0 282.472 2.900 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000234696881 393783946 /nfs/dbraw/zinc/78/39/46/393783946.db2.gz QKPWODYRWMOBKB-OCCSQVGLSA-N 2 0 282.453 2.813 20 0 CFADRP CN(C)c1cc[nH+]cc1CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424209836 393798314 /nfs/dbraw/zinc/79/83/14/393798314.db2.gz ZSXOMWSOWVQKPI-DLBZAZTESA-N 2 0 285.366 2.875 20 0 CFADRP C[NH+](C)[C@H](CNc1cc[nH+]c2c(O)cccc12)C1CC1 ZINC000684573362 542829258 /nfs/dbraw/zinc/82/92/58/542829258.db2.gz XXBNGDNORHTEQR-CQSZACIVSA-N 2 0 271.364 2.693 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000414698715 393802331 /nfs/dbraw/zinc/80/23/31/393802331.db2.gz XUATYIIDJQCJHQ-GOSISDBHSA-N 2 0 295.515 2.948 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424250271 393804228 /nfs/dbraw/zinc/80/42/28/393804228.db2.gz BHHALUOBVSEMOW-HNNXBMFYSA-N 2 0 289.448 2.968 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414804154 393805414 /nfs/dbraw/zinc/80/54/14/393805414.db2.gz NBOZUALCCVXQTJ-CYBMUJFWSA-N 2 0 291.439 2.854 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000414791504 393805898 /nfs/dbraw/zinc/80/58/98/393805898.db2.gz BJMFKYAFVLBKHC-IIAWOOMASA-N 2 0 278.444 2.502 20 0 CFADRP C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000414865083 393806703 /nfs/dbraw/zinc/80/67/03/393806703.db2.gz YWLGYWFSSFYUAR-NORZTCDRSA-N 2 0 278.827 2.785 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC3 ZINC000414842641 393806747 /nfs/dbraw/zinc/80/67/47/393806747.db2.gz IWUAYZTUPYZRED-UONOGXRCSA-N 2 0 283.419 2.675 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414845495 393806824 /nfs/dbraw/zinc/80/68/24/393806824.db2.gz DOWUNSBNZKIZBL-LCGIIJARSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC3 ZINC000414842638 393807183 /nfs/dbraw/zinc/80/71/83/393807183.db2.gz IWUAYZTUPYZRED-KGLIPLIRSA-N 2 0 283.419 2.675 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414839384 393807250 /nfs/dbraw/zinc/80/72/50/393807250.db2.gz XJDXNELNZYZXOQ-ZIAGYGMSSA-N 2 0 278.465 2.929 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414957196 393808665 /nfs/dbraw/zinc/80/86/65/393808665.db2.gz NXPDZAQLLWVQNO-BFYDXBDKSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415014564 393810314 /nfs/dbraw/zinc/81/03/14/393810314.db2.gz LQURSYFOSMNUBX-MCIONIFRSA-N 2 0 291.439 2.852 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000415035589 393810354 /nfs/dbraw/zinc/81/03/54/393810354.db2.gz KXBJJWGVSOCGCZ-ATLSCFEFSA-N 2 0 287.451 2.539 20 0 CFADRP FC(F)(F)c1ccccc1CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415087742 393812714 /nfs/dbraw/zinc/81/27/14/393812714.db2.gz WOIHPHHTHVSLNL-GFCCVEGCSA-N 2 0 286.341 2.837 20 0 CFADRP Cc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292883 393815382 /nfs/dbraw/zinc/81/53/82/393815382.db2.gz OOJZUTDWTIMXKF-HNNXBMFYSA-N 2 0 258.409 2.959 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOC2)C3)cc1 ZINC000245713722 393824347 /nfs/dbraw/zinc/82/43/47/393824347.db2.gz NPVNLGWESNCJRD-FJIDUMEYSA-N 2 0 286.419 2.561 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424321366 393827854 /nfs/dbraw/zinc/82/78/54/393827854.db2.gz IMDKOPPQSJNTHX-ZIAGYGMSSA-N 2 0 298.471 2.674 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000424330873 393831306 /nfs/dbraw/zinc/83/13/06/393831306.db2.gz ISEFBXIENHPLSI-ZIAGYGMSSA-N 2 0 268.788 2.578 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000424330985 393831346 /nfs/dbraw/zinc/83/13/46/393831346.db2.gz SMBLOBCWEIYSSB-KGLIPLIRSA-N 2 0 298.471 2.817 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)[C@@H](C)C1 ZINC000342735913 393869486 /nfs/dbraw/zinc/86/94/86/393869486.db2.gz PVSNUECPJDJKCQ-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248555399 393910963 /nfs/dbraw/zinc/91/09/63/393910963.db2.gz KLEQODVQCBLXDW-QAETUUGQSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459355249 393882676 /nfs/dbraw/zinc/88/26/76/393882676.db2.gz YDHAZFBDZULYAJ-CYBMUJFWSA-N 2 0 260.372 2.695 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C[C@H]1C ZINC000471536829 393904105 /nfs/dbraw/zinc/90/41/05/393904105.db2.gz DCRWFYTXFHFIIR-OAGGEKHMSA-N 2 0 270.461 2.615 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424369980 393841898 /nfs/dbraw/zinc/84/18/98/393841898.db2.gz SBTBICFSZMICJR-KBRIMQKVSA-N 2 0 276.424 2.876 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)O ZINC000340501125 393843521 /nfs/dbraw/zinc/84/35/21/393843521.db2.gz HPZODTZPRDPMQV-INIZCTEOSA-N 2 0 282.472 2.923 20 0 CFADRP CC[C@@H](C[NH+]1CCCC1)Nc1cc[nH+]c(C)c1Cl ZINC000684889277 542866157 /nfs/dbraw/zinc/86/61/57/542866157.db2.gz KDIHMIRKGOGQSC-LBPRGKRZSA-N 2 0 267.804 2.752 20 0 CFADRP CCc1[nH+]c2ccccc2c(NC[C@H](C)[NH+](C)C)c1C ZINC000684891875 542866891 /nfs/dbraw/zinc/86/68/91/542866891.db2.gz OJCPDIFSDUWEBA-LBPRGKRZSA-N 2 0 271.408 2.890 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000250978336 393930319 /nfs/dbraw/zinc/93/03/19/393930319.db2.gz HVQAENDSXFUDEW-CABCVRRESA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000346467881 393930484 /nfs/dbraw/zinc/93/04/84/393930484.db2.gz UZZHVWBKVWUROW-FZKCQIBNSA-N 2 0 268.445 2.512 20 0 CFADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000346819573 393933857 /nfs/dbraw/zinc/93/38/57/393933857.db2.gz HODLQCCZKZNOOM-MSOLQXFVSA-N 2 0 293.499 2.574 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@H]1CCC[NH2+]C1 ZINC000347014353 393935327 /nfs/dbraw/zinc/93/53/27/393935327.db2.gz WZHLCRWVKDSPGN-HNNXBMFYSA-N 2 0 256.434 2.515 20 0 CFADRP CCOC(=O)CC(C)(C)CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000347061365 393936672 /nfs/dbraw/zinc/93/66/72/393936672.db2.gz UMWQJRMGOZADCW-LSDHHAIUSA-N 2 0 298.471 2.770 20 0 CFADRP CCN(CC)[C@H](C)C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000121005148 393945748 /nfs/dbraw/zinc/94/57/48/393945748.db2.gz LGKSTVCSQSLVOU-RHSMWYFYSA-N 2 0 290.451 2.872 20 0 CFADRP CCOCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347942062 393945879 /nfs/dbraw/zinc/94/58/79/393945879.db2.gz BAIQEEBRHXGBFE-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000121075989 393948515 /nfs/dbraw/zinc/94/85/15/393948515.db2.gz MZRAQDYGWFJYNR-FUHWJXTLSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000434766862 394017231 /nfs/dbraw/zinc/01/72/31/394017231.db2.gz UTNMGYOOBKCESU-CABCVRRESA-N 2 0 282.472 2.636 20 0 CFADRP CCCCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681334 394018738 /nfs/dbraw/zinc/01/87/38/394018738.db2.gz KEZMJVLKJRHFQF-OAHLLOKOSA-N 2 0 290.455 2.554 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000271518434 394020509 /nfs/dbraw/zinc/02/05/09/394020509.db2.gz PYBYMVCNRVMFJH-IJEWVQPXSA-N 2 0 275.440 2.571 20 0 CFADRP CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000121248376 393952740 /nfs/dbraw/zinc/95/27/40/393952740.db2.gz DRTLSRPLQZDEOC-RHSMWYFYSA-N 2 0 290.451 2.872 20 0 CFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000429446893 393952939 /nfs/dbraw/zinc/95/29/39/393952939.db2.gz DOSQZCJJMMBJRO-DOMZBBRYSA-N 2 0 295.377 2.679 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000429687541 393953418 /nfs/dbraw/zinc/95/34/18/393953418.db2.gz XPOVNHUFHJJOQT-SJORKVTESA-N 2 0 276.424 2.666 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C/C=C/c2ccncc2)CC1 ZINC000486952807 393974640 /nfs/dbraw/zinc/97/46/40/393974640.db2.gz ZIQOEEPPSKSIIE-DUXPYHPUSA-N 2 0 273.424 2.806 20 0 CFADRP CCC[C@@H](C(=O)OCC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123427650 393980726 /nfs/dbraw/zinc/98/07/26/393980726.db2.gz PJGKNILBYNQGLT-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP COC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C(C)C ZINC000123691680 393985501 /nfs/dbraw/zinc/98/55/01/393985501.db2.gz DREPWPBQXHVQDE-MRXNPFEDSA-N 2 0 264.413 2.509 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000430561687 393993645 /nfs/dbraw/zinc/99/36/45/393993645.db2.gz NSSFIPGYYZCOIV-KFWWJZLASA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000430578734 393995500 /nfs/dbraw/zinc/99/55/00/393995500.db2.gz FNHFWDZFLUINGM-SJLPKXTDSA-N 2 0 290.451 2.695 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOC1CCCCCC1 ZINC000430579014 393995619 /nfs/dbraw/zinc/99/56/19/393995619.db2.gz ZYDLEHNITQDDSO-HNNXBMFYSA-N 2 0 256.434 2.689 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000487307028 393995838 /nfs/dbraw/zinc/99/58/38/393995838.db2.gz XYVKMGIWPFJUHZ-ARJAWSKDSA-N 2 0 273.424 2.806 20 0 CFADRP Cc1cccc(C)c1OCCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430598839 393998186 /nfs/dbraw/zinc/99/81/86/393998186.db2.gz UJEYGRQFKQBJAD-SJORKVTESA-N 2 0 288.435 2.899 20 0 CFADRP [NH3+][C@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000430602420 393998429 /nfs/dbraw/zinc/99/84/29/393998429.db2.gz HIAOAMGHMITQCG-NSHDSACASA-N 2 0 270.829 2.855 20 0 CFADRP CCc1ccc(CCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430598044 393998629 /nfs/dbraw/zinc/99/86/29/393998629.db2.gz NNHOGKGPBXNDBA-SJORKVTESA-N 2 0 258.409 2.618 20 0 CFADRP C[C@H](CC[NH2+]C[C@H]1CCSC1)[NH+]1CCCCC1 ZINC000487535546 394009378 /nfs/dbraw/zinc/00/93/78/394009378.db2.gz HXQMOCYFCCGDEL-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000125618998 394010202 /nfs/dbraw/zinc/01/02/02/394010202.db2.gz VOIPYNMYIPSURG-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CC1(C)C ZINC000487554730 394011794 /nfs/dbraw/zinc/01/17/94/394011794.db2.gz FHADJRBEFJKIDU-HIFRSBDPSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000432789556 394012509 /nfs/dbraw/zinc/01/25/09/394012509.db2.gz SXGOTVVIAMTBPD-HRCADAONSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CS1 ZINC000488447881 394037385 /nfs/dbraw/zinc/03/73/85/394037385.db2.gz KXSMJANLAZBJHM-YDHLFZDLSA-N 2 0 282.497 2.981 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000437085879 394046190 /nfs/dbraw/zinc/04/61/90/394046190.db2.gz IKFMPUWCTJFNIH-CJNGLKHVSA-N 2 0 278.465 2.979 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000358268457 394100996 /nfs/dbraw/zinc/10/09/96/394100996.db2.gz RUTSWPUYAAGLPA-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127861683 394057361 /nfs/dbraw/zinc/05/73/61/394057361.db2.gz GBUUVTPKIZKEFI-BRSBDYLESA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000127901378 394058837 /nfs/dbraw/zinc/05/88/37/394058837.db2.gz KHVOYJIHXLTWRQ-KGLIPLIRSA-N 2 0 264.388 2.861 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC[C@@H]2CCOC2)C1 ZINC000437590613 394062700 /nfs/dbraw/zinc/06/27/00/394062700.db2.gz NVPIUWVVGDCSND-YYIAUSFCSA-N 2 0 280.456 2.750 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000355331224 394063244 /nfs/dbraw/zinc/06/32/44/394063244.db2.gz YGTJPPPTLOFECW-RBSFLKMASA-N 2 0 297.487 2.532 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130144225 394103118 /nfs/dbraw/zinc/10/31/18/394103118.db2.gz MFGMHMJFQAGGHL-USXIJHARSA-N 2 0 288.435 2.843 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356888908 394081136 /nfs/dbraw/zinc/08/11/36/394081136.db2.gz ZLAOFILHZPIZRH-IRXDYDNUSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)CC12CCC2 ZINC000357049516 394083771 /nfs/dbraw/zinc/08/37/71/394083771.db2.gz XMBGAWBRHFKHDI-GJZGRUSLSA-N 2 0 250.430 2.983 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000281981048 394104993 /nfs/dbraw/zinc/10/49/93/394104993.db2.gz OSOXMVYPSCJYQB-KBPBESRZSA-N 2 0 295.430 2.709 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000281981054 394105198 /nfs/dbraw/zinc/10/51/98/394105198.db2.gz OSOXMVYPSCJYQB-UONOGXRCSA-N 2 0 295.430 2.709 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000358241081 394098892 /nfs/dbraw/zinc/09/88/92/394098892.db2.gz RSKXLBAHZBJLFL-FZKCQIBNSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCO1 ZINC000353671615 394034148 /nfs/dbraw/zinc/03/41/48/394034148.db2.gz LCXTZAPGTRNGQE-NQNKBUKLSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](Cc1cccc(C(F)F)c1)C1CC[NH2+]CC1 ZINC000420267641 394109863 /nfs/dbraw/zinc/10/98/63/394109863.db2.gz FZHLWLOCJMMVDI-UHFFFAOYSA-N 2 0 254.324 2.808 20 0 CFADRP CCc1cnc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000130511761 394113118 /nfs/dbraw/zinc/11/31/18/394113118.db2.gz SUSPPMDYNWVYHH-GMXVVIOVSA-N 2 0 267.442 2.524 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000420294564 394116736 /nfs/dbraw/zinc/11/67/36/394116736.db2.gz BFIFYPKRSAWDKB-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000420291450 394117107 /nfs/dbraw/zinc/11/71/07/394117107.db2.gz NOPDHFDGCWFXLE-HFBAOOFYSA-N 2 0 262.372 2.872 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420299174 394117216 /nfs/dbraw/zinc/11/72/16/394117216.db2.gz IEINMUKBKYHPDJ-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP CCc1ccc([C@H]([NH2+]CCOCC[NH3+])C(C)C)cc1 ZINC000420382820 394117937 /nfs/dbraw/zinc/11/79/37/394117937.db2.gz YRTDEMDEBZVSQN-MRXNPFEDSA-N 2 0 264.413 2.511 20 0 CFADRP c1ccc(SCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420387246 394119468 /nfs/dbraw/zinc/11/94/68/394119468.db2.gz VWLGUAWFVYSYRD-INIZCTEOSA-N 2 0 276.449 2.854 20 0 CFADRP Fc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000359187485 394127340 /nfs/dbraw/zinc/12/73/40/394127340.db2.gz JKERLSGHLGPIQO-KRWDZBQOSA-N 2 0 292.398 2.589 20 0 CFADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC000359452584 394135037 /nfs/dbraw/zinc/13/50/37/394135037.db2.gz APMGAUOTMINFQG-UHFFFAOYSA-N 2 0 294.402 2.914 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442880672 394140270 /nfs/dbraw/zinc/14/02/70/394140270.db2.gz XSCVWGOXKWHTTB-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000360042582 394144720 /nfs/dbraw/zinc/14/47/20/394144720.db2.gz XIOCRTAIKCUKAP-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)CCn2ccnc2)cc1 ZINC000133764230 394182043 /nfs/dbraw/zinc/18/20/43/394182043.db2.gz OWVXBKUTASWOPD-OAHLLOKOSA-N 2 0 287.407 2.702 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC[N@@H+]2C1 ZINC000360985659 394161942 /nfs/dbraw/zinc/16/19/42/394161942.db2.gz HZQOQQBAERTRAY-UYTYNIKBSA-N 2 0 292.467 2.798 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])C1 ZINC000422761617 394255596 /nfs/dbraw/zinc/25/55/96/394255596.db2.gz MYSBQBDLKLFIHG-XHSDSOJGSA-N 2 0 291.414 2.572 20 0 CFADRP CC[C@@H](NC[C@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422790027 394255609 /nfs/dbraw/zinc/25/56/09/394255609.db2.gz UNTLRPDCSFVCDH-FGTMMUONSA-N 2 0 289.467 2.718 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422792321 394255701 /nfs/dbraw/zinc/25/57/01/394255701.db2.gz DIXKWDDFLNBXBG-BRWVUGGUSA-N 2 0 279.472 2.501 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000291690938 394256446 /nfs/dbraw/zinc/25/64/46/394256446.db2.gz JBLLCIWBAKFBBS-CQSZACIVSA-N 2 0 264.413 2.761 20 0 CFADRP COc1cc(C)c(C[NH2+]C2CCC([NH+](C)C)CC2)c(C)n1 ZINC000421379781 394210492 /nfs/dbraw/zinc/21/04/92/394210492.db2.gz XEAFLCTWRKRYIT-UHFFFAOYSA-N 2 0 291.439 2.669 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000421381375 394211630 /nfs/dbraw/zinc/21/16/30/394211630.db2.gz ZMXHPORSFOMDEH-UQPPLGOBSA-N 2 0 292.471 2.857 20 0 CFADRP COc1cccc(F)c1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000135147016 394212233 /nfs/dbraw/zinc/21/22/33/394212233.db2.gz ZKSLFSQRXJFZNX-AGIUHOORSA-N 2 0 280.387 2.968 20 0 CFADRP CC[C@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422810969 394256968 /nfs/dbraw/zinc/25/69/68/394256968.db2.gz VCLRVQWAEVMRJN-IRXDYDNUSA-N 2 0 281.488 2.761 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCCC1 ZINC000449121614 394220048 /nfs/dbraw/zinc/22/00/48/394220048.db2.gz IHNMTRAVNBTLMN-QGZVFWFLSA-N 2 0 282.472 2.639 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449127410 394221824 /nfs/dbraw/zinc/22/18/24/394221824.db2.gz WMTQOFXOZQADIB-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150981370 394257578 /nfs/dbraw/zinc/25/75/78/394257578.db2.gz UABICYFWJKOYEO-NVXWUHKLSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000422886686 394257646 /nfs/dbraw/zinc/25/76/46/394257646.db2.gz JOYDKXKKUIEGDP-IHRRRGAJSA-N 2 0 272.396 2.649 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000449176148 394241683 /nfs/dbraw/zinc/24/16/83/394241683.db2.gz SFJULLCJHUCZEA-DLBZAZTESA-N 2 0 260.425 3.000 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000366281307 394241960 /nfs/dbraw/zinc/24/19/60/394241960.db2.gz JORKBWXEZULPFU-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000449176727 394242773 /nfs/dbraw/zinc/24/27/73/394242773.db2.gz UFLMTWNTQBQTCW-SNPRPXQTSA-N 2 0 250.386 2.673 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000139066283 394243865 /nfs/dbraw/zinc/24/38/65/394243865.db2.gz ZGWWBWSZAPHDAT-MRXNPFEDSA-N 2 0 298.434 2.657 20 0 CFADRP CCCN(CC)CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421838245 394245893 /nfs/dbraw/zinc/24/58/93/394245893.db2.gz UZWNYIJRSJYYIA-MRXNPFEDSA-N 2 0 275.440 2.651 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCC1 ZINC000449188679 394246866 /nfs/dbraw/zinc/24/68/66/394246866.db2.gz NYMRFSACLMOHHZ-OKZBNKHCSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367625448 394259245 /nfs/dbraw/zinc/25/92/45/394259245.db2.gz YDMUKJXFOHFAFA-HOCLYGCPSA-N 2 0 290.455 2.745 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000149447461 394249436 /nfs/dbraw/zinc/24/94/36/394249436.db2.gz IKKVTVJPEFTWDX-INIZCTEOSA-N 2 0 278.827 2.883 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422706108 394253365 /nfs/dbraw/zinc/25/33/65/394253365.db2.gz DKFWXBXOHIZJJR-UGUYLWEFSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000422713632 394254200 /nfs/dbraw/zinc/25/42/00/394254200.db2.gz KDOANYQASDAFRS-MELADBBJSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422728680 394254248 /nfs/dbraw/zinc/25/42/48/394254248.db2.gz GNLRDZNXNDVHBJ-DOMZBBRYSA-N 2 0 266.816 2.860 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422761614 394254541 /nfs/dbraw/zinc/25/45/41/394254541.db2.gz MYSBQBDLKLFIHG-ARFHVFGLSA-N 2 0 291.414 2.572 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422807893 394255015 /nfs/dbraw/zinc/25/50/15/394255015.db2.gz NQEBTIOSAHPHSY-QGTPRVQTSA-N 2 0 296.414 2.538 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000134074698 394188803 /nfs/dbraw/zinc/18/88/03/394188803.db2.gz YEOCACBFDPXBKK-YYIAUSFCSA-N 2 0 295.515 2.815 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000134158446 394189814 /nfs/dbraw/zinc/18/98/14/394189814.db2.gz CNANGKHDYHTSLW-UHFFFAOYSA-N 2 0 277.456 2.969 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000134176481 394190446 /nfs/dbraw/zinc/19/04/46/394190446.db2.gz XKWJNUSPQSFJHF-UHFFFAOYSA-N 2 0 292.471 2.970 20 0 CFADRP Cc1c(Cl)c(C[NH2+]C2CCC(C[NH+](C)C)CC2)nn1C ZINC000421343351 394192704 /nfs/dbraw/zinc/19/27/04/394192704.db2.gz QBALFSYPPJSCEY-UHFFFAOYSA-N 2 0 298.862 2.592 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@H](C)C[C@H](C)[NH3+])O[C@H](C)C2 ZINC000422790534 394255416 /nfs/dbraw/zinc/25/54/16/394255416.db2.gz UXNFHQJUFCFORA-YNEHKIRRSA-N 2 0 292.423 2.624 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422998785 394261471 /nfs/dbraw/zinc/26/14/71/394261471.db2.gz DIPXBEWUHAXLAY-HOTGVXAUSA-N 2 0 274.408 2.928 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423043738 394262277 /nfs/dbraw/zinc/26/22/77/394262277.db2.gz PVNLBNJJPFAPOB-GXSJLCMTSA-N 2 0 253.415 2.546 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423050300 394262443 /nfs/dbraw/zinc/26/24/43/394262443.db2.gz YXAOIGCKUWCEED-MJVIPROJSA-N 2 0 266.360 2.755 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423041954 394262464 /nfs/dbraw/zinc/26/24/64/394262464.db2.gz JZAQQZIZBURDJP-SSHXOBKSSA-N 2 0 268.445 2.687 20 0 CFADRP COc1c2ccccc2oc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423072862 394263004 /nfs/dbraw/zinc/26/30/04/394263004.db2.gz QEMZKTWLDCMJQH-AAEUAGOBSA-N 2 0 274.364 2.658 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000423065519 394263369 /nfs/dbraw/zinc/26/33/69/394263369.db2.gz BMLSZYGHVQWAFS-DGCLKSJQSA-N 2 0 297.240 2.975 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423074468 394264469 /nfs/dbraw/zinc/26/44/69/394264469.db2.gz USVDBHQXGXPEEF-ZBFHGGJFSA-N 2 0 260.425 2.699 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423077427 394265236 /nfs/dbraw/zinc/26/52/36/394265236.db2.gz MHXMDIFFQGHMTC-KKXDTOCCSA-N 2 0 288.435 2.796 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[NH+](C)C ZINC000151909277 394265407 /nfs/dbraw/zinc/26/54/07/394265407.db2.gz HUUYUQHLQJFXKZ-LRDDRELGSA-N 2 0 264.388 2.990 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)(C)O ZINC000423079611 394265432 /nfs/dbraw/zinc/26/54/32/394265432.db2.gz QZSGOMHHCYICIL-ZNMIVQPWSA-N 2 0 270.461 2.682 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423080746 394266121 /nfs/dbraw/zinc/26/61/21/394266121.db2.gz AIGRLQCWYZDDOQ-JKSUJKDBSA-N 2 0 275.440 2.620 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423088775 394268575 /nfs/dbraw/zinc/26/85/75/394268575.db2.gz SRTSEQOHSOEVFC-NWDGAFQWSA-N 2 0 259.397 2.702 20 0 CFADRP CC1CCC(C)(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423088003 394268779 /nfs/dbraw/zinc/26/87/79/394268779.db2.gz QURGZUWGPUEZRO-ONWVLEABSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089956 394268928 /nfs/dbraw/zinc/26/89/28/394268928.db2.gz WGLYAKGWLDAREN-QYHDQYMBSA-N 2 0 292.398 2.545 20 0 CFADRP COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423090051 394269768 /nfs/dbraw/zinc/26/97/68/394269768.db2.gz WPSBGDKDFJHBCP-NJAFHUGGSA-N 2 0 290.451 2.754 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423093136 394270120 /nfs/dbraw/zinc/27/01/20/394270120.db2.gz FXQLHIYAHGQSLZ-QZKOUSHUSA-N 2 0 266.335 2.680 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423115307 394270753 /nfs/dbraw/zinc/27/07/53/394270753.db2.gz XTGZOXMAKBIKMU-UWVGGRQHSA-N 2 0 250.308 2.579 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423170681 394272589 /nfs/dbraw/zinc/27/25/89/394272589.db2.gz MROOHERNBMENET-ARLBYUKCSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423188939 394272601 /nfs/dbraw/zinc/27/26/01/394272601.db2.gz ZWIQULKKKSZFGO-CRAIPNDOSA-N 2 0 287.451 2.510 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000423172521 394272776 /nfs/dbraw/zinc/27/27/76/394272776.db2.gz UBILFOGVGRQDRG-IGDQZBHYSA-N 2 0 250.430 2.920 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423195702 394272885 /nfs/dbraw/zinc/27/28/85/394272885.db2.gz YCDNXPOMEPZWCD-AXFHLTTASA-N 2 0 252.324 2.695 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423223069 394274225 /nfs/dbraw/zinc/27/42/25/394274225.db2.gz DRGVBOPIQHAKOH-GWCFXTLKSA-N 2 0 268.788 2.881 20 0 CFADRP COCCC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423243555 394274281 /nfs/dbraw/zinc/27/42/81/394274281.db2.gz GNTPMYXAAVXSQG-PBHICJAKSA-N 2 0 294.414 2.883 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449378548 394274667 /nfs/dbraw/zinc/27/46/67/394274667.db2.gz RBVSMQQPELIONE-BZPMIXESSA-N 2 0 272.383 2.884 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000449382934 394274700 /nfs/dbraw/zinc/27/47/00/394274700.db2.gz DVWRUHVPGVFTKD-IXDOHACOSA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449388722 394274764 /nfs/dbraw/zinc/27/47/64/394274764.db2.gz AYAGOVAYMQFYDW-CVEARBPZSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423253678 394274961 /nfs/dbraw/zinc/27/49/61/394274961.db2.gz ZHUIQNZOPZUYKK-RRQGHBQHSA-N 2 0 275.440 2.540 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccnc1 ZINC000423324239 394276970 /nfs/dbraw/zinc/27/69/70/394276970.db2.gz IRLNDWTWZAVOOG-OAHLLOKOSA-N 2 0 261.413 2.758 20 0 CFADRP CC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[NH2+]CC1 ZINC000423315771 394277088 /nfs/dbraw/zinc/27/70/88/394277088.db2.gz AIEAERIYCIWOIO-MRXNPFEDSA-N 2 0 273.424 2.902 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423300719 394277115 /nfs/dbraw/zinc/27/71/15/394277115.db2.gz FAVBMRVITMBKEG-TVQRCGJNSA-N 2 0 283.213 2.621 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423299278 394277119 /nfs/dbraw/zinc/27/71/19/394277119.db2.gz BOQAARGNZKLRFK-QKEWWQLBSA-N 2 0 266.351 2.928 20 0 CFADRP CCC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349262 394277534 /nfs/dbraw/zinc/27/75/34/394277534.db2.gz VGIYNJWYTCTRAW-JKSUJKDBSA-N 2 0 261.413 2.902 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423354859 394277719 /nfs/dbraw/zinc/27/77/19/394277719.db2.gz HHSSZOZVNHYDJM-FGTMMUONSA-N 2 0 287.451 2.554 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423347673 394277732 /nfs/dbraw/zinc/27/77/32/394277732.db2.gz RQOPFTOLONXFQU-LZWOXQAQSA-N 2 0 268.445 2.558 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000423349789 394277787 /nfs/dbraw/zinc/27/77/87/394277787.db2.gz XMKWDSJSMMAKRP-HNNXBMFYSA-N 2 0 262.784 2.837 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC2(CCC2)C1 ZINC000449472856 394277877 /nfs/dbraw/zinc/27/78/77/394277877.db2.gz AUZYZWPVHGLDBH-HRCADAONSA-N 2 0 278.440 2.552 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000423387457 394279693 /nfs/dbraw/zinc/27/96/93/394279693.db2.gz MVVZPOBQTRBROH-SDDRHHMPSA-N 2 0 266.360 2.755 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423399790 394279739 /nfs/dbraw/zinc/27/97/39/394279739.db2.gz VCBOGSKWCROFQO-BPUTZDHNSA-N 2 0 292.423 2.632 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)(C)C ZINC000423406915 394281128 /nfs/dbraw/zinc/28/11/28/394281128.db2.gz ZJBHLMLJPWYXQU-YUTCNCBUSA-N 2 0 278.444 2.867 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423411098 394281190 /nfs/dbraw/zinc/28/11/90/394281190.db2.gz FBNCZHDSOKGHIY-RRFJBIMHSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423480473 394283945 /nfs/dbraw/zinc/28/39/45/394283945.db2.gz WACLGSWJBIOERU-PGUXBMHVSA-N 2 0 257.381 2.871 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423509626 394285976 /nfs/dbraw/zinc/28/59/76/394285976.db2.gz LQAYDUZTTUBFJV-HOTGVXAUSA-N 2 0 286.423 2.941 20 0 CFADRP C[C@@H](NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423513054 394286508 /nfs/dbraw/zinc/28/65/08/394286508.db2.gz CAFHFDZWHIZGNM-KOLCDFICSA-N 2 0 289.206 2.632 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cnn(C)c1 ZINC000423512486 394286544 /nfs/dbraw/zinc/28/65/44/394286544.db2.gz USLZQDZLCFHISA-BBRMVZONSA-N 2 0 272.396 2.551 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1(CC)CC ZINC000423510726 394286554 /nfs/dbraw/zinc/28/65/54/394286554.db2.gz PRSPZSXUQGRJJN-CBBWQLFWSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nn1C ZINC000423519792 394289040 /nfs/dbraw/zinc/28/90/40/394289040.db2.gz QNTFMHZICIJCDE-GDBMZVCRSA-N 2 0 286.423 2.859 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000423526902 394289784 /nfs/dbraw/zinc/28/97/84/394289784.db2.gz VGYPPPSZJNODJW-DZKIICNBSA-N 2 0 268.445 2.559 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000153744530 394291160 /nfs/dbraw/zinc/29/11/60/394291160.db2.gz RMHKKFWHVDGQCS-INIZCTEOSA-N 2 0 278.440 2.922 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000153761966 394291201 /nfs/dbraw/zinc/29/12/01/394291201.db2.gz WSSHRHBMQGXVBH-CYBMUJFWSA-N 2 0 284.831 2.959 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423531622 394292135 /nfs/dbraw/zinc/29/21/35/394292135.db2.gz SYWGEPVWNGBULW-ZNMWDQDHSA-N 2 0 262.441 2.918 20 0 CFADRP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423533799 394292184 /nfs/dbraw/zinc/29/21/84/394292184.db2.gz YRBRJHFUSUDUSO-CRAIPNDOSA-N 2 0 288.435 2.886 20 0 CFADRP CN1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423535664 394293025 /nfs/dbraw/zinc/29/30/25/394293025.db2.gz DZLFOLBJUWSBCA-RTBURBONSA-N 2 0 299.462 2.721 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423537335 394293913 /nfs/dbraw/zinc/29/39/13/394293913.db2.gz JWUJFEQUHXALMG-APWZRJJASA-N 2 0 299.462 2.721 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423549488 394295736 /nfs/dbraw/zinc/29/57/36/394295736.db2.gz SFDIDEBQXXFTIW-LBEHMCEESA-N 2 0 274.383 2.791 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423550416 394296481 /nfs/dbraw/zinc/29/64/81/394296481.db2.gz IKGQZCSYJCDTHO-FSPWUOQZSA-N 2 0 288.435 2.919 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423556908 394297349 /nfs/dbraw/zinc/29/73/49/394297349.db2.gz NAHSDHADZSEDPN-CABCVRRESA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000154978343 394307078 /nfs/dbraw/zinc/30/70/78/394307078.db2.gz CWJQOBRBCSLNQI-DLBZAZTESA-N 2 0 289.467 2.590 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155036512 394308380 /nfs/dbraw/zinc/30/83/80/394308380.db2.gz KKXJZSGDCMBXPH-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]1C[N@H+](C)C[C@H]1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453361614 394390776 /nfs/dbraw/zinc/39/07/76/394390776.db2.gz KSCFVHXSJMSLNF-JKSUJKDBSA-N 2 0 295.515 2.769 20 0 CFADRP CCc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000450782311 394340361 /nfs/dbraw/zinc/34/03/61/394340361.db2.gz XEGALKNWHLACNG-SCLBCKFNSA-N 2 0 281.403 2.938 20 0 CFADRP CCc1cc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)on1 ZINC000451068866 394354085 /nfs/dbraw/zinc/35/40/85/394354085.db2.gz JMUCVKANQWZXHI-QGZVFWFLSA-N 2 0 291.439 2.587 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCN(C)C1)CCC2 ZINC000158219485 394355520 /nfs/dbraw/zinc/35/55/20/394355520.db2.gz LHUHPLAHXSQZIG-OLZOCXBDSA-N 2 0 279.453 2.760 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)O1 ZINC000451132492 394361743 /nfs/dbraw/zinc/36/17/43/394361743.db2.gz IQWNRLIDWAWMBM-ZOBORPQBSA-N 2 0 256.434 2.508 20 0 CFADRP Cc1cccc([C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158989031 394362611 /nfs/dbraw/zinc/36/26/11/394362611.db2.gz BIDFQYXGQZTNES-AEFFLSMTSA-N 2 0 290.451 2.738 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000159216724 394364947 /nfs/dbraw/zinc/36/49/47/394364947.db2.gz MDGXBMJAPDDKCU-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cccc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000516648368 394369930 /nfs/dbraw/zinc/36/99/30/394369930.db2.gz ZRNVEGLJLXOSRR-UHFFFAOYSA-N 2 0 287.451 2.740 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527633878 394393377 /nfs/dbraw/zinc/39/33/77/394393377.db2.gz ZGSWYFYSYDJOLO-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453252458 394382632 /nfs/dbraw/zinc/38/26/32/394382632.db2.gz MURUOCFVPVIAKR-MELADBBJSA-N 2 0 264.417 2.599 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453390073 394394801 /nfs/dbraw/zinc/39/48/01/394394801.db2.gz CVYUAMUBWMVRDC-VHDGCEQUSA-N 2 0 268.445 2.510 20 0 CFADRP C1C[C@@H]2C[C@@H]([NH+]3CCC[C@]4(CCSC4)C3)CC[N@@H+]2C1 ZINC000453350373 394388978 /nfs/dbraw/zinc/38/89/78/394388978.db2.gz HXSHOZSLBKPNRX-PMPSAXMXSA-N 2 0 280.481 2.832 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453411679 394399604 /nfs/dbraw/zinc/39/96/04/394399604.db2.gz VYHXZQLEIQCZRR-CQSZACIVSA-N 2 0 261.413 2.915 20 0 CFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CC2 ZINC000280216634 542897378 /nfs/dbraw/zinc/89/73/78/542897378.db2.gz ULLLJBJPTSYAEA-DOMZBBRYSA-N 2 0 292.423 2.621 20 0 CFADRP C[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000685454806 542915649 /nfs/dbraw/zinc/91/56/49/542915649.db2.gz VIYHJEDXOQEFBU-OAHLLOKOSA-N 2 0 283.504 2.626 20 0 CFADRP C[C@@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685458029 542916302 /nfs/dbraw/zinc/91/63/02/542916302.db2.gz XZFWGJKFHVCFTF-RDJZCZTQSA-N 2 0 295.515 2.769 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000527805360 394410239 /nfs/dbraw/zinc/41/02/39/394410239.db2.gz DKTPDPYXLIBOPM-INIZCTEOSA-N 2 0 274.408 2.802 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CC12CC2 ZINC000527851041 394417162 /nfs/dbraw/zinc/41/71/62/394417162.db2.gz OFLUGVKRFBOLCQ-RHSMWYFYSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC12CC2 ZINC000527857046 394417504 /nfs/dbraw/zinc/41/75/04/394417504.db2.gz ZDVGREFZIKVHSW-GDBMZVCRSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC12CC2 ZINC000527871996 394419659 /nfs/dbraw/zinc/41/96/59/394419659.db2.gz KVJPXSILXWHOBB-RKTXRCNFSA-N 2 0 292.467 2.533 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000527924337 394426448 /nfs/dbraw/zinc/42/64/48/394426448.db2.gz GKXVDRYNCHSSSK-OTJKEOIZSA-N 2 0 250.430 2.743 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)OCC ZINC000527931821 394427768 /nfs/dbraw/zinc/42/77/68/394427768.db2.gz NNDHOGAGQWOWLA-KBUPBQIOSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527979579 394434889 /nfs/dbraw/zinc/43/48/89/394434889.db2.gz HPFWCQSXZAKEOI-LMMWMHBBSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527979574 394434910 /nfs/dbraw/zinc/43/49/10/394434910.db2.gz HPFWCQSXZAKEOI-JYDDWQFKSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000530178329 394472211 /nfs/dbraw/zinc/47/22/11/394472211.db2.gz KCRIVQUJVXFVIS-NXHRZFHOSA-N 2 0 299.462 2.696 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207864 394479872 /nfs/dbraw/zinc/47/98/72/394479872.db2.gz DXOOPSUXXWXLIN-AFAVFJNCSA-N 2 0 280.456 2.545 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530208537 394480843 /nfs/dbraw/zinc/48/08/43/394480843.db2.gz HOUYPCZUMAOUNU-QBPKDAKJSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000530214734 394482737 /nfs/dbraw/zinc/48/27/37/394482737.db2.gz ZUJUAXDJEIXJRQ-SNVBAGLBSA-N 2 0 287.329 2.660 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216133 394483607 /nfs/dbraw/zinc/48/36/07/394483607.db2.gz MUJJSMSMTDADKS-MELADBBJSA-N 2 0 254.393 2.779 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000530223103 394488276 /nfs/dbraw/zinc/48/82/76/394488276.db2.gz MVYFKQKAPYCYIJ-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000530225666 394490621 /nfs/dbraw/zinc/49/06/21/394490621.db2.gz OVXUQDDKVXJMGR-LGFJLYTPSA-N 2 0 268.445 2.699 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000530386925 394510780 /nfs/dbraw/zinc/51/07/80/394510780.db2.gz WPQSGUMSRUPNJT-LTIDMASMSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cncs2)CC1 ZINC000536652130 394565647 /nfs/dbraw/zinc/56/56/47/394565647.db2.gz PHIIDAMQQIKDCE-UHFFFAOYSA-N 2 0 267.442 2.695 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2[nH]cnc2c1 ZINC000536678016 394568209 /nfs/dbraw/zinc/56/82/09/394568209.db2.gz YGJNISFHEJPKSC-HNNXBMFYSA-N 2 0 286.423 2.869 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537306706 394579536 /nfs/dbraw/zinc/57/95/36/394579536.db2.gz KGFXIQBIWZIWHF-LBPRGKRZSA-N 2 0 250.411 2.531 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000538732388 394614033 /nfs/dbraw/zinc/61/40/33/394614033.db2.gz JALRFUINPUIKGK-MRXNPFEDSA-N 2 0 296.499 2.981 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000539065951 394620456 /nfs/dbraw/zinc/62/04/56/394620456.db2.gz QMNXURCNCNOGTI-FMKPAKJESA-N 2 0 268.445 2.654 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000539651943 394630101 /nfs/dbraw/zinc/63/01/01/394630101.db2.gz ZYCCZNWEDHRIEH-GDBMZVCRSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000543449318 394730120 /nfs/dbraw/zinc/73/01/20/394730120.db2.gz GBVXMGJRQQMJIC-KRWDZBQOSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H](C[NH2+][C@H]1CN(C2CC2)C[C@H]1C)Cc1ccccc1 ZINC000543446788 394730496 /nfs/dbraw/zinc/73/04/96/394730496.db2.gz LQYYUYKBFQSYEW-DAYGRLMNSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@@H](NCc1ccc(CO)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905581 394690861 /nfs/dbraw/zinc/69/08/61/394690861.db2.gz XAZUXXHBDKJUGQ-KGLIPLIRSA-N 2 0 292.423 2.515 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000544847269 394772114 /nfs/dbraw/zinc/77/21/14/394772114.db2.gz LHBIEXLZBYEHTC-KGLIPLIRSA-N 2 0 269.392 2.860 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000546600977 394831618 /nfs/dbraw/zinc/83/16/18/394831618.db2.gz AHOUQPPHPVRQJW-HOTGVXAUSA-N 2 0 272.436 2.675 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@@H](C)CC[NH+](C)C)c2c1 ZINC000546896728 394848074 /nfs/dbraw/zinc/84/80/74/394848074.db2.gz PQTGJEVOYCHRTI-ZDUSSCGKSA-N 2 0 257.381 2.717 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125334 542966062 /nfs/dbraw/zinc/96/60/62/542966062.db2.gz RERYJAGZFLFBMQ-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166754629 542967241 /nfs/dbraw/zinc/96/72/41/542967241.db2.gz JDNJSXYKYGBBSR-IAGOWNOFSA-N 2 0 281.488 2.712 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000556166226 394993382 /nfs/dbraw/zinc/99/33/82/394993382.db2.gz KLRNBMCHHFHMPY-HIFRSBDPSA-N 2 0 250.386 2.531 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000556253651 394996861 /nfs/dbraw/zinc/99/68/61/394996861.db2.gz OGZLNWUQBWPYBI-CQSZACIVSA-N 2 0 286.423 2.717 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000556867848 395022474 /nfs/dbraw/zinc/02/24/74/395022474.db2.gz JLMAOFHNLYNSHK-XIRDDKMYSA-N 2 0 262.441 2.885 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000556939371 395026250 /nfs/dbraw/zinc/02/62/50/395026250.db2.gz YDFCPJVAUBLSER-SFHVURJKSA-N 2 0 298.434 2.864 20 0 CFADRP C[N@H+](CC1Cc2ccccc2C1)C[C@H]1CCC[NH+](C)C1 ZINC000558567152 395064252 /nfs/dbraw/zinc/06/42/52/395064252.db2.gz YEEZLSVDNLLOEH-HNNXBMFYSA-N 2 0 272.436 2.675 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)CCO1 ZINC000648415470 395134144 /nfs/dbraw/zinc/13/41/44/395134144.db2.gz DXRJILRAYYKOOP-HOTGVXAUSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC000648448273 395147044 /nfs/dbraw/zinc/14/70/44/395147044.db2.gz VESDTTQDBNCAHT-BZUAXINKSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000648448159 395147099 /nfs/dbraw/zinc/14/70/99/395147099.db2.gz MRXQERHGUVNDIA-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000648448163 395147268 /nfs/dbraw/zinc/14/72/68/395147268.db2.gz NUTQRNFEXYJHEZ-MIFYACCESA-N 2 0 268.445 2.654 20 0 CFADRP CSc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000305296378 413077987 /nfs/dbraw/zinc/07/79/87/413077987.db2.gz ZDTSCWVEBKLQPV-AWEZNQCLSA-N 2 0 252.427 2.872 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648450894 395148666 /nfs/dbraw/zinc/14/86/66/395148666.db2.gz SYAQMOHZPURZOX-QAPCUYQASA-N 2 0 272.436 2.865 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000648450522 395148885 /nfs/dbraw/zinc/14/88/85/395148885.db2.gz QTSIRYUJAMQSCX-HPFXQQBRSA-N 2 0 293.499 2.569 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000648436441 395142149 /nfs/dbraw/zinc/14/21/49/395142149.db2.gz VBKWQTZPCFQWFS-GOEBONIOSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000179954629 543008573 /nfs/dbraw/zinc/00/85/73/543008573.db2.gz MFTSCSLFRVDJDZ-QWHCGFSZSA-N 2 0 266.433 2.879 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc(-c3ccc(C[NH3+])o3)n2)cc1 ZINC000647121312 395165059 /nfs/dbraw/zinc/16/50/59/395165059.db2.gz DSAMMTIXZXXKDG-UHFFFAOYSA-N 2 0 298.346 2.517 20 0 CFADRP [NH3+][C@H](CCc1nc([C@H]2CCC[NH2+]2)no1)CC1CCCCC1 ZINC000647144354 395173597 /nfs/dbraw/zinc/17/35/97/395173597.db2.gz VBTFQTQATVTCAW-ZIAGYGMSSA-N 2 0 292.427 2.724 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC000648495900 395174422 /nfs/dbraw/zinc/17/44/22/395174422.db2.gz KZCAZZYNDCYIPE-DLBZAZTESA-N 2 0 276.424 2.795 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000648556108 395197708 /nfs/dbraw/zinc/19/77/08/395197708.db2.gz TYZWLMZNNOVXGI-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000647190080 395213048 /nfs/dbraw/zinc/21/30/48/395213048.db2.gz HGWUDNVXTGLHKH-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@](C)(C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)OC ZINC000648725733 395286240 /nfs/dbraw/zinc/28/62/40/395286240.db2.gz UKGJYOLMVBEINE-KRWDZBQOSA-N 2 0 294.439 2.532 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000647342593 395305197 /nfs/dbraw/zinc/30/51/97/395305197.db2.gz SZOORGGRLXDDPF-BYNSBNAKSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343987 395306676 /nfs/dbraw/zinc/30/66/76/395306676.db2.gz HAJDKGYZNAIXGV-UAGQMJEPSA-N 2 0 260.425 2.966 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2CCC(F)CC2)CC1 ZINC000647349568 395308969 /nfs/dbraw/zinc/30/89/69/395308969.db2.gz YDCRTDDLCLGVHI-UHFFFAOYSA-N 2 0 256.409 2.977 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249334 395256215 /nfs/dbraw/zinc/25/62/15/395256215.db2.gz SINFJNXVQNZSPH-MOPGFXCFSA-N 2 0 295.430 2.825 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647485377 395357155 /nfs/dbraw/zinc/35/71/55/395357155.db2.gz UJPXTHNOBALLRN-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000647485212 395357176 /nfs/dbraw/zinc/35/71/76/395357176.db2.gz FXISKUJMCCNMRU-HNNXBMFYSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000647491682 395358448 /nfs/dbraw/zinc/35/84/48/395358448.db2.gz BGBLVVQPPOOJIY-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(C)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497573 395359993 /nfs/dbraw/zinc/35/99/93/395359993.db2.gz MLHKZPWUJMEUFL-HUUCEWRRSA-N 2 0 262.397 2.563 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000647497322 395360207 /nfs/dbraw/zinc/36/02/07/395360207.db2.gz CTIQZHWRYFPWBA-WBVHZDCISA-N 2 0 288.435 2.613 20 0 CFADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000647518306 395372257 /nfs/dbraw/zinc/37/22/57/395372257.db2.gz YZOJKTXYHKDQQS-DOTOQJQBSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@H](C[NH+]1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000647530984 395374873 /nfs/dbraw/zinc/37/48/73/395374873.db2.gz UBDOCPSWEQTPEP-GFCCVEGCSA-N 2 0 250.361 2.742 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000647542573 395384191 /nfs/dbraw/zinc/38/41/91/395384191.db2.gz JQYZTZPBJLKDOK-OAHLLOKOSA-N 2 0 286.419 2.628 20 0 CFADRP CCCn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543626 395384354 /nfs/dbraw/zinc/38/43/54/395384354.db2.gz QLOFFQYCYUTSQR-IAGOWNOFSA-N 2 0 290.455 2.505 20 0 CFADRP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542963 395384473 /nfs/dbraw/zinc/38/44/73/395384473.db2.gz FIFCTXNWBNAKSK-HZPDHXFCSA-N 2 0 274.408 2.604 20 0 CFADRP C[C@@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000647542035 395384497 /nfs/dbraw/zinc/38/44/97/395384497.db2.gz HHPXDEDYAHMCDL-ZFWWWQNUSA-N 2 0 252.446 2.990 20 0 CFADRP C[C@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000647542033 395384539 /nfs/dbraw/zinc/38/45/39/395384539.db2.gz HHPXDEDYAHMCDL-HIFRSBDPSA-N 2 0 252.446 2.990 20 0 CFADRP C(C1CCCC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543651 395385876 /nfs/dbraw/zinc/38/58/76/395385876.db2.gz QVLWSYOCCSTRQV-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647548507 395386801 /nfs/dbraw/zinc/38/68/01/395386801.db2.gz FCULTOOQPUTMPF-VNHYZAJKSA-N 2 0 296.817 2.999 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000647552478 395390391 /nfs/dbraw/zinc/39/03/91/395390391.db2.gz APYFUNSCMDNFKZ-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000647552581 395390925 /nfs/dbraw/zinc/39/09/25/395390925.db2.gz IVFSOXWXIHISIZ-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647881184 395450879 /nfs/dbraw/zinc/45/08/79/395450879.db2.gz OHEMJXWPBFHBPC-SUMWQHHRSA-N 2 0 256.393 2.748 20 0 CFADRP COc1ccc(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647883370 395451728 /nfs/dbraw/zinc/45/17/28/395451728.db2.gz KWADQBCMVXWBLX-KRWDZBQOSA-N 2 0 288.435 2.559 20 0 CFADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647881534 395451736 /nfs/dbraw/zinc/45/17/36/395451736.db2.gz DPUKNHZNQAPLAB-ZFWWWQNUSA-N 2 0 278.827 2.956 20 0 CFADRP CCC[N@H+](CCc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000647885656 395452357 /nfs/dbraw/zinc/45/23/57/395452357.db2.gz BJLGNUBTUWEQNB-OAHLLOKOSA-N 2 0 264.388 2.690 20 0 CFADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886044 395452997 /nfs/dbraw/zinc/45/29/97/395452997.db2.gz LLSPOGKRBVDKJN-WWGRRREGSA-N 2 0 262.372 2.818 20 0 CFADRP c1ccc(SC[C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647890067 395454366 /nfs/dbraw/zinc/45/43/66/395454366.db2.gz LSNNPXXVXRLPKY-CABCVRRESA-N 2 0 276.449 2.710 20 0 CFADRP Clc1ccc(C2([NH2+]C[C@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000647892324 395454916 /nfs/dbraw/zinc/45/49/16/395454916.db2.gz VCEHJZRWQRASBD-ZDUSSCGKSA-N 2 0 294.826 2.545 20 0 CFADRP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCCC2CC[NH2+]CC2)C1 ZINC000647892256 395454980 /nfs/dbraw/zinc/45/49/80/395454980.db2.gz JKYSJNMRQXYQBO-MAUKXSAKSA-N 2 0 296.499 2.933 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)CCCC2CC[NH2+]CC2)c1 ZINC000647990350 395473999 /nfs/dbraw/zinc/47/39/99/395473999.db2.gz OLSQKOYWLUMOIZ-UHFFFAOYSA-N 2 0 289.467 2.964 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647937440 395462671 /nfs/dbraw/zinc/46/26/71/395462671.db2.gz ZFXYJEYCEAZFOV-DLBZAZTESA-N 2 0 260.425 2.851 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647992278 395474356 /nfs/dbraw/zinc/47/43/56/395474356.db2.gz ZNITWCSISOLLGZ-SJORKVTESA-N 2 0 282.472 2.950 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647965249 395468336 /nfs/dbraw/zinc/46/83/36/395468336.db2.gz OGPFIHHXSWAEES-MSOLQXFVSA-N 2 0 292.467 2.641 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647965250 395468447 /nfs/dbraw/zinc/46/84/47/395468447.db2.gz OGPFIHHXSWAEES-QZTJIDSGSA-N 2 0 292.467 2.641 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000647995332 395474812 /nfs/dbraw/zinc/47/48/12/395474812.db2.gz PEZSAOSRLWGPNA-SFHVURJKSA-N 2 0 288.435 2.920 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000647970055 395469757 /nfs/dbraw/zinc/46/97/57/395469757.db2.gz AEEUZDHBXWHFRJ-DOTOQJQBSA-N 2 0 292.467 2.643 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000647971945 395470433 /nfs/dbraw/zinc/47/04/33/395470433.db2.gz CROLMVYLJOGZBC-GVDBMIGSSA-N 2 0 284.488 2.882 20 0 CFADRP CCc1ccc2[nH+]ccc(N[C@@H](C)C[C@@H](C)[NH3+])c2c1 ZINC000647711400 395417676 /nfs/dbraw/zinc/41/76/76/395417676.db2.gz LPXQUKZLZKWABY-NEPJUHHUSA-N 2 0 257.381 2.757 20 0 CFADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000649308802 395471295 /nfs/dbraw/zinc/47/12/95/395471295.db2.gz HXZXFLPECROGEL-SFHVURJKSA-N 2 0 290.451 2.518 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000647977537 395471640 /nfs/dbraw/zinc/47/16/40/395471640.db2.gz DCDABEHOIXQPSZ-BRWVUGGUSA-N 2 0 280.456 2.657 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976857 395471794 /nfs/dbraw/zinc/47/17/94/395471794.db2.gz VGUDWNMBXBRXNT-HZPDHXFCSA-N 2 0 268.445 2.515 20 0 CFADRP C(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000647785926 395427769 /nfs/dbraw/zinc/42/77/69/395427769.db2.gz GFYURCDJYKGLAL-FGTMMUONSA-N 3 0 293.499 2.620 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785479 395428064 /nfs/dbraw/zinc/42/80/64/395428064.db2.gz AEQPLSHZNPTLFN-HYVNUMGLSA-N 2 0 288.435 2.952 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786693 395428187 /nfs/dbraw/zinc/42/81/87/395428187.db2.gz WILNKDGZCRBZJR-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647789641 395429546 /nfs/dbraw/zinc/42/95/46/395429546.db2.gz IKOWHMFAHPYQLL-RBSFLKMASA-N 2 0 293.480 2.752 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790083 395429564 /nfs/dbraw/zinc/42/95/64/395429564.db2.gz RFDYZCOGYWEBDD-RZFLPCETSA-N 2 0 270.420 2.595 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789953 395429752 /nfs/dbraw/zinc/42/97/52/395429752.db2.gz OHTLGOVWVBBMKV-HYVNUMGLSA-N 2 0 288.435 2.871 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CO2 ZINC000647791486 395429986 /nfs/dbraw/zinc/42/99/86/395429986.db2.gz FJENKGOHAKFITC-NDPMZMCLSA-N 2 0 292.810 2.751 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000647792984 395430284 /nfs/dbraw/zinc/43/02/84/395430284.db2.gz GXWCYHTYFKUBNV-HZMVEIRTSA-N 2 0 282.472 2.805 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647791875 395430413 /nfs/dbraw/zinc/43/04/13/395430413.db2.gz OYQXYQHMHZJQMT-SQWLQELKSA-N 2 0 286.419 2.662 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647794722 395431086 /nfs/dbraw/zinc/43/10/86/395431086.db2.gz BSZFSZXCCAVMKE-SOLBZPMBSA-N 2 0 287.451 2.986 20 0 CFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000647794138 395431288 /nfs/dbraw/zinc/43/12/88/395431288.db2.gz SAILJTSTIQCKOD-CEXWTWQISA-N 2 0 284.447 2.769 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647794723 395431350 /nfs/dbraw/zinc/43/13/50/395431350.db2.gz BSZFSZXCCAVMKE-XYJFISCASA-N 2 0 287.451 2.986 20 0 CFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647801136 395434781 /nfs/dbraw/zinc/43/47/81/395434781.db2.gz PBCQIULUFSLWHT-CWQOZTLDSA-N 2 0 270.420 2.768 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647802630 395435689 /nfs/dbraw/zinc/43/56/89/395435689.db2.gz QLRXNJAXKVIICJ-HNNXBMFYSA-N 2 0 280.387 2.548 20 0 CFADRP Fc1cccc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCC2)c1 ZINC000647996287 395475157 /nfs/dbraw/zinc/47/51/57/395475157.db2.gz NPHROZZKPXUHJL-CYBMUJFWSA-N 2 0 262.372 2.794 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)Cc1ccnn1CC(C)C ZINC000648035741 395486252 /nfs/dbraw/zinc/48/62/52/395486252.db2.gz OEJGQTFITNZVBZ-UHFFFAOYSA-N 2 0 289.427 2.566 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000649411577 395489566 /nfs/dbraw/zinc/48/95/66/395489566.db2.gz IECUHJAWKOKGIG-ZDUSSCGKSA-N 2 0 273.380 2.617 20 0 CFADRP CN(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000649415210 395489769 /nfs/dbraw/zinc/48/97/69/395489769.db2.gz PNJHNPOIVQXJER-SJLPKXTDSA-N 2 0 287.451 2.587 20 0 CFADRP FCC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000648077074 395498838 /nfs/dbraw/zinc/49/88/38/395498838.db2.gz YIOOMOAGTPANHV-UHFFFAOYSA-N 2 0 263.360 2.532 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037209660 543027363 /nfs/dbraw/zinc/02/73/63/543027363.db2.gz SBQBBWZPXAFSQT-HZPDHXFCSA-N 3 0 283.504 2.817 20 0 CFADRP C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)C1CC[NH+](C)CC1 ZINC000037221371 543027402 /nfs/dbraw/zinc/02/74/02/543027402.db2.gz BFPAHHYFPYONEH-ZFWWWQNUSA-N 2 0 295.496 2.671 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037762777 543030659 /nfs/dbraw/zinc/03/06/59/543030659.db2.gz WXEADNDKXPBRJZ-AWEZNQCLSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000310992688 413086118 /nfs/dbraw/zinc/08/61/18/413086118.db2.gz LOKZOMSFOWHYEV-ZFWWWQNUSA-N 2 0 264.800 2.901 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000380041321 543070192 /nfs/dbraw/zinc/07/01/92/543070192.db2.gz YUICDVMLAUCLMA-CVEARBPZSA-N 2 0 283.504 2.530 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135465 543098130 /nfs/dbraw/zinc/09/81/30/543098130.db2.gz FDGWRWUNYLZVJZ-PBHICJAKSA-N 2 0 298.434 2.891 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])CC2)c(C)c1 ZINC000423148346 292089890 /nfs/dbraw/zinc/08/98/90/292089890.db2.gz VFLAPLDITZBUGR-JKSUJKDBSA-N 2 0 258.409 2.804 20 0 CFADRP CC1(C)C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000401046650 413160543 /nfs/dbraw/zinc/16/05/43/413160543.db2.gz WEWPHDFPOPICDN-RWMBFGLXSA-N 2 0 250.430 2.646 20 0 CFADRP CCc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401148706 413161356 /nfs/dbraw/zinc/16/13/56/413161356.db2.gz OYKCHHVQRCCIFJ-BRWVUGGUSA-N 2 0 258.409 2.727 20 0 CFADRP Clc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401019602 413159738 /nfs/dbraw/zinc/15/97/38/413159738.db2.gz WPBJQDBLJYKAIQ-MRVWCRGKSA-N 2 0 264.800 2.818 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CC1CCCC1 ZINC000401012803 413160024 /nfs/dbraw/zinc/16/00/24/413160024.db2.gz HQVLTSZJORVBJB-ARFHVFGLSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000423382137 292110530 /nfs/dbraw/zinc/11/05/30/292110530.db2.gz DGNMQUSULBAFHI-JLSDUUJJSA-N 2 0 272.436 2.904 20 0 CFADRP CO[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000393299701 397544876 /nfs/dbraw/zinc/54/48/76/397544876.db2.gz HDKFQICAOJRDCZ-FCLJQHQZSA-N 2 0 274.408 2.589 20 0 CFADRP CC1CCC(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000335265782 397648951 /nfs/dbraw/zinc/64/89/51/397648951.db2.gz HWIVVIHLCSLHRP-UYSNPLJNSA-N 2 0 280.456 2.500 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000220350282 397621378 /nfs/dbraw/zinc/62/13/78/397621378.db2.gz FGWMLEKKAAQFBZ-JGGQBBKZSA-N 2 0 262.372 2.693 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000459730702 292123776 /nfs/dbraw/zinc/12/37/76/292123776.db2.gz FEKMMOZSTKVPTH-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C12CCC2 ZINC000650757448 397885284 /nfs/dbraw/zinc/88/52/84/397885284.db2.gz XIYPGUUNPLAOPU-IAGOWNOFSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759211 397885357 /nfs/dbraw/zinc/88/53/57/397885357.db2.gz GIGUFZIHEZILGG-HOCLYGCPSA-N 2 0 275.440 2.911 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@@H]1CCCC[NH2+]1 ZINC000650759460 397885397 /nfs/dbraw/zinc/88/53/97/397885397.db2.gz JWDHXOFQXFWBKD-XIRDDKMYSA-N 2 0 287.451 2.924 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@H]1CCC[NH2+]1 ZINC000650760033 397886096 /nfs/dbraw/zinc/88/60/96/397886096.db2.gz VVKUDHHSWQRHRQ-CWRNSKLLSA-N 2 0 273.424 2.534 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650759679 397886246 /nfs/dbraw/zinc/88/62/46/397886246.db2.gz NXMUYOYIHBSJBB-RYRKJORJSA-N 2 0 287.451 2.924 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650762199 397887032 /nfs/dbraw/zinc/88/70/32/397887032.db2.gz WOGMFXLIETWYMW-SFHVURJKSA-N 2 0 272.436 2.913 20 0 CFADRP c1cc2c(c(C[N@H+](C3CC3)C3CC[NH2+]CC3)c1)CCC2 ZINC000650702400 397859029 /nfs/dbraw/zinc/85/90/29/397859029.db2.gz FQUBEPZGEINNHU-UHFFFAOYSA-N 2 0 270.420 2.892 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1F ZINC000650763391 397887813 /nfs/dbraw/zinc/88/78/13/397887813.db2.gz ZAPSDYPEDDSSQZ-GFCCVEGCSA-N 2 0 280.387 2.875 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000650710593 397862378 /nfs/dbraw/zinc/86/23/78/397862378.db2.gz SVNSXIGYIXSZRR-MRXNPFEDSA-N 3 0 281.488 2.763 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763248 397887896 /nfs/dbraw/zinc/88/78/96/397887896.db2.gz VUQIIKMXOMIYID-NSHDSACASA-N 2 0 268.426 2.797 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)[C@@H]1CC[NH3+] ZINC000650711602 397863800 /nfs/dbraw/zinc/86/38/00/397863800.db2.gz YNZSLQMVKGFXDB-CRAIPNDOSA-N 2 0 298.434 2.822 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)[C@H]1CC[NH3+] ZINC000650711524 397863852 /nfs/dbraw/zinc/86/38/52/397863852.db2.gz WIPXIHCCKQEWEP-GUYCJALGSA-N 2 0 299.418 2.890 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)[C@H]1CC[NH3+] ZINC000650711523 397863869 /nfs/dbraw/zinc/86/38/69/397863869.db2.gz WIPXIHCCKQEWEP-DYVFJYSZSA-N 2 0 299.418 2.890 20 0 CFADRP CC(C)[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccnc1 ZINC000650762759 397887977 /nfs/dbraw/zinc/88/79/77/397887977.db2.gz JGYHXPOFCFMCMP-INIZCTEOSA-N 2 0 261.413 2.758 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000650712455 397864909 /nfs/dbraw/zinc/86/49/09/397864909.db2.gz DCQISKKCHCDVNY-UHFFFAOYSA-N 2 0 256.752 2.698 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713756 397865995 /nfs/dbraw/zinc/86/59/95/397865995.db2.gz AMYSSHVVSVYSAZ-LBPRGKRZSA-N 2 0 252.427 2.788 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717642 397867495 /nfs/dbraw/zinc/86/74/95/397867495.db2.gz IDXQVAMLVZCDRH-FZMZJTMJSA-N 2 0 250.361 2.953 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000650719214 397868555 /nfs/dbraw/zinc/86/85/55/397868555.db2.gz HXZVKTYDXBBIJG-UHFFFAOYSA-N 2 0 299.418 2.716 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OC)c1F ZINC000650719929 397869086 /nfs/dbraw/zinc/86/90/86/397869086.db2.gz AMEQCRGLOVXBTR-UHFFFAOYSA-N 2 0 288.366 2.844 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000650719701 397869105 /nfs/dbraw/zinc/86/91/05/397869105.db2.gz ZXPKYZULCMVEHW-DLBZAZTESA-N 2 0 276.424 2.699 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC1CCOCC1 ZINC000650720131 397869176 /nfs/dbraw/zinc/86/91/76/397869176.db2.gz GAMHMJMLLRHYQD-CQSZACIVSA-N 2 0 276.424 2.701 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000650722036 397870532 /nfs/dbraw/zinc/87/05/32/397870532.db2.gz JCIZMAIUZYFMNI-IXDOHACOSA-N 2 0 292.398 2.687 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccsc2)C1 ZINC000650721998 397870699 /nfs/dbraw/zinc/87/06/99/397870699.db2.gz HZWGJRDVBYACAA-ILXRZTDVSA-N 2 0 280.437 2.609 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763558 397888589 /nfs/dbraw/zinc/88/85/89/397888589.db2.gz DIHRUVHFSCPBSB-INIZCTEOSA-N 2 0 274.408 2.880 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc2ccsc21 ZINC000650739861 397873677 /nfs/dbraw/zinc/87/36/77/397873677.db2.gz ATUSRHNUZJLKFE-CQSZACIVSA-N 2 0 278.421 2.745 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000650740786 397874725 /nfs/dbraw/zinc/87/47/25/397874725.db2.gz RHAWHLROGMFWSO-AEFFLSMTSA-N 2 0 291.483 2.512 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000650741585 397875784 /nfs/dbraw/zinc/87/57/84/397875784.db2.gz GUVRRJZQAQBWFL-QSPRXWTASA-N 2 0 258.409 2.829 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000650742378 397876856 /nfs/dbraw/zinc/87/68/56/397876856.db2.gz WQMPNEXIEJMAMS-QMCVQRASSA-N 2 0 258.409 2.958 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650744403 397878371 /nfs/dbraw/zinc/87/83/71/397878371.db2.gz NGJUCHWQCDJUTI-NSHDSACASA-N 2 0 296.386 2.623 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000650745715 397878916 /nfs/dbraw/zinc/87/89/16/397878916.db2.gz MHLNQQZXYVUJGO-OAHLLOKOSA-N 2 0 276.449 2.736 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650745220 397879030 /nfs/dbraw/zinc/87/90/30/397879030.db2.gz BTIBTDPLARIUQY-HNNXBMFYSA-N 2 0 274.408 2.927 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650747018 397879431 /nfs/dbraw/zinc/87/94/31/397879431.db2.gz PJBBTVHFYLGQGV-ZDUSSCGKSA-N 2 0 278.371 2.540 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)ccc1F ZINC000650746198 397879565 /nfs/dbraw/zinc/87/95/65/397879565.db2.gz XYCXWDUNTCXSKJ-LLVKDONJSA-N 2 0 266.360 2.614 20 0 CFADRP COC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Cl)c1 ZINC000650747630 397879964 /nfs/dbraw/zinc/87/99/64/397879964.db2.gz DQXRBLZZJNJMFN-CQSZACIVSA-N 2 0 282.815 2.746 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753386 397883755 /nfs/dbraw/zinc/88/37/55/397883755.db2.gz MHLPCCBNSDNZET-WFASDCNBSA-N 2 0 250.361 2.953 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C12CCC2 ZINC000423172122 285861386 /nfs/dbraw/zinc/86/13/86/285861386.db2.gz RKSBGDGGGCJOGT-XUWVNRHRSA-N 2 0 280.456 2.844 20 0 CFADRP COC1([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000421848927 292146358 /nfs/dbraw/zinc/14/63/58/292146358.db2.gz BDEZJQULPVLTEA-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255362 413197499 /nfs/dbraw/zinc/19/74/99/413197499.db2.gz BNJUWUPGMOUFDH-KLHDSHLOSA-N 2 0 280.456 2.797 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404318190 413198096 /nfs/dbraw/zinc/19/80/96/413198096.db2.gz PMWGGHHUKXLGMQ-YOEHRIQHSA-N 2 0 276.424 2.687 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423084571 292153776 /nfs/dbraw/zinc/15/37/76/292153776.db2.gz IJKHTDATUCWIRY-LVDPKSTMSA-N 2 0 268.445 2.831 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404400883 413202565 /nfs/dbraw/zinc/20/25/65/413202565.db2.gz RDZAPFRUYSADJJ-CZUORRHYSA-N 2 0 292.423 2.653 20 0 CFADRP CN(Cc1cc2cc(F)ccc2o1)CC(C)(C)[NH3+] ZINC000656783672 413220798 /nfs/dbraw/zinc/22/07/98/413220798.db2.gz SYRVIRODNHMBOR-UHFFFAOYSA-N 2 0 250.317 2.741 20 0 CFADRP CN(Cc1ccc(OC(F)F)c(F)c1)CC(C)(C)[NH3+] ZINC000656783639 413220005 /nfs/dbraw/zinc/22/00/05/413220005.db2.gz SCKZPWKWUFYLCK-UHFFFAOYSA-N 2 0 276.302 2.596 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465261 413222114 /nfs/dbraw/zinc/22/21/14/413222114.db2.gz IWWYPWNWPCYTCK-PBHICJAKSA-N 2 0 276.424 2.922 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000663466773 413222235 /nfs/dbraw/zinc/22/22/35/413222235.db2.gz XOJSVFWIKZQDMG-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423039549 286025284 /nfs/dbraw/zinc/02/52/84/286025284.db2.gz QUNHXNJJHKEKFA-ZETOZRRWSA-N 2 0 282.815 2.614 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C[NH3+] ZINC000405322285 413222438 /nfs/dbraw/zinc/22/24/38/413222438.db2.gz ZYGPVOYBIPGUGH-IAGOWNOFSA-N 2 0 276.424 2.606 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261591264 286029101 /nfs/dbraw/zinc/02/91/01/286029101.db2.gz LWYQMGJYRWKBJT-CABCVRRESA-N 2 0 270.461 2.950 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466921 413225238 /nfs/dbraw/zinc/22/52/38/413225238.db2.gz BHPJJBGLTPCRNJ-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C([NH2+][C@H]1CCCSCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466233 413225743 /nfs/dbraw/zinc/22/57/43/413225743.db2.gz PTJLSJKJBNVINI-HOTGVXAUSA-N 2 0 282.497 2.984 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000090723054 286049216 /nfs/dbraw/zinc/04/92/16/286049216.db2.gz ILNWESFJDLDOEI-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000181358953 286050325 /nfs/dbraw/zinc/05/03/25/286050325.db2.gz DRJHZZVOHNCBNT-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000308398685 286100559 /nfs/dbraw/zinc/10/05/59/286100559.db2.gz UIRKVOWWHWDTCK-CABCVRRESA-N 2 0 280.456 2.797 20 0 CFADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656790657 413235373 /nfs/dbraw/zinc/23/53/73/413235373.db2.gz HGMAVOVNRDJUFN-HOCLYGCPSA-N 2 0 250.430 2.888 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)[C@@H](C)C1 ZINC000656791714 413235061 /nfs/dbraw/zinc/23/50/61/413235061.db2.gz LHGXHSWMRAIUOR-ZLIFDBKOSA-N 2 0 273.424 2.576 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](COc2ccccc2)C1 ZINC000356360038 155237946 /nfs/dbraw/zinc/23/79/46/155237946.db2.gz HCNRNCMEKIENGQ-IRXDYDNUSA-N 2 0 288.435 2.872 20 0 CFADRP CSC1(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCC1 ZINC000356381807 155247223 /nfs/dbraw/zinc/24/72/23/155247223.db2.gz AYBHKNJSQCPGSQ-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1CNc1ccc2c(c1)CCCN2 ZINC000663494357 413240331 /nfs/dbraw/zinc/24/03/31/413240331.db2.gz OBBCCLGMAOUNFR-GXTWGEPZSA-N 2 0 259.397 2.702 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000663497818 413242200 /nfs/dbraw/zinc/24/22/00/413242200.db2.gz GTEMDVIXOYUMOE-CQSZACIVSA-N 2 0 290.436 2.668 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663501927 413244245 /nfs/dbraw/zinc/24/42/45/413244245.db2.gz ZORYPSOXHFYVAA-YCHGYYGWSA-N 2 0 270.420 2.838 20 0 CFADRP c1ccc(OCCCCC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663500871 413244752 /nfs/dbraw/zinc/24/47/52/413244752.db2.gz QABPBCRUVBSUNX-UHFFFAOYSA-N 2 0 274.408 2.577 20 0 CFADRP CCOc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000663499307 413245391 /nfs/dbraw/zinc/24/53/91/413245391.db2.gz XOWFZLXEKQCBDQ-CQSZACIVSA-N 2 0 280.412 2.557 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000663500137 413245493 /nfs/dbraw/zinc/24/54/93/413245493.db2.gz PILDOBDZJRKQQH-DZGCQCFKSA-N 2 0 262.397 2.516 20 0 CFADRP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000119940522 296637072 /nfs/dbraw/zinc/63/70/72/296637072.db2.gz MYJOAPLZHJOOHZ-DLBZAZTESA-N 2 0 290.455 2.832 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000354330007 286179570 /nfs/dbraw/zinc/17/95/70/286179570.db2.gz NBODAXYDGPLACD-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453121263 286198347 /nfs/dbraw/zinc/19/83/47/286198347.db2.gz DSIWHPJMBBLCSG-DLBZAZTESA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422807520 286200115 /nfs/dbraw/zinc/20/01/15/286200115.db2.gz JWQNIZOQJVDXHX-KKUMJFAQSA-N 2 0 256.434 2.558 20 0 CFADRP CCOc1ccccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663499355 413247664 /nfs/dbraw/zinc/24/76/64/413247664.db2.gz YRLOSYKYRJRWFS-CQSZACIVSA-N 2 0 250.386 2.548 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000663502124 413249126 /nfs/dbraw/zinc/24/91/26/413249126.db2.gz FZAGMQFEZSWTNK-LSDHHAIUSA-N 2 0 266.816 2.770 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC[NH2+]C)C1(CC)CC ZINC000435885323 286246272 /nfs/dbraw/zinc/24/62/72/286246272.db2.gz IORSVRWFNJVKLF-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000095967805 292247888 /nfs/dbraw/zinc/24/78/88/292247888.db2.gz XKQGSOSPYOBVMU-SJORKVTESA-N 2 0 289.467 2.590 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC[NH2+]CC1 ZINC000414974097 292249762 /nfs/dbraw/zinc/24/97/62/292249762.db2.gz LVBUHNYUEXRZAM-HOTGVXAUSA-N 2 0 280.456 2.561 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000353539251 292250213 /nfs/dbraw/zinc/25/02/13/292250213.db2.gz KNYHCBASNNLFNF-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cc(C)oc2C)CC[NH2+]CC1 ZINC000423411022 292249216 /nfs/dbraw/zinc/24/92/16/292249216.db2.gz SYNTZXXXSIWMIT-CYBMUJFWSA-N 2 0 280.412 2.563 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000164515200 286280193 /nfs/dbraw/zinc/28/01/93/286280193.db2.gz SHUFLWPYAHWVHV-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C1(C)C ZINC000423294367 286285807 /nfs/dbraw/zinc/28/58/07/286285807.db2.gz UHWYTHOYLVANDJ-DAXOMENPSA-N 2 0 276.424 3.000 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1(CC)CC ZINC000423272597 286284885 /nfs/dbraw/zinc/28/48/85/286284885.db2.gz JWMBVDKQSOAHTH-BFHYXJOUSA-N 2 0 256.434 2.543 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356786723 155368152 /nfs/dbraw/zinc/36/81/52/155368152.db2.gz USXMVSWJGKUPPU-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000653279842 413271481 /nfs/dbraw/zinc/27/14/81/413271481.db2.gz AKQFRFVTFBCXDS-UKRRQHHQSA-N 2 0 298.390 2.581 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1OC ZINC000423118704 286368741 /nfs/dbraw/zinc/36/87/41/286368741.db2.gz BZDTYBZAFKBJRF-HSBZDZAISA-N 2 0 292.423 2.933 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423322621 286371160 /nfs/dbraw/zinc/37/11/60/286371160.db2.gz NYIXENGOGNGOQV-XHBSWPGZSA-N 2 0 262.397 2.514 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000420411641 286372210 /nfs/dbraw/zinc/37/22/10/286372210.db2.gz RYKXAIBIIDIGIP-GDBMZVCRSA-N 2 0 276.424 2.906 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCC2 ZINC000429992633 286382624 /nfs/dbraw/zinc/38/26/24/286382624.db2.gz RHOBHTXASXNROR-SSHXOBKSSA-N 2 0 280.456 2.797 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C12CCCC2 ZINC000085680669 286394598 /nfs/dbraw/zinc/39/45/98/286394598.db2.gz NQKCSYVRZUDDKY-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422780561 286398147 /nfs/dbraw/zinc/39/81/47/286398147.db2.gz KHUXCNZZUVPXLF-ZOFXXKQRSA-N 2 0 292.467 2.844 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423490266 286429222 /nfs/dbraw/zinc/42/92/22/286429222.db2.gz HQBXFJQLCAWEOG-WOSRLPQWSA-N 2 0 290.407 2.626 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000348047730 154296747 /nfs/dbraw/zinc/29/67/47/154296747.db2.gz VFUJDOMHVFMFMQ-CVEARBPZSA-N 2 0 282.472 2.759 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348101784 154320048 /nfs/dbraw/zinc/32/00/48/154320048.db2.gz KZRYTGGMMKNAKR-DLBZAZTESA-N 2 0 295.515 2.674 20 0 CFADRP Cc1cnc([C@@H](C)[NH2+]CCCc2cnccc2C)o1 ZINC000348107410 154323155 /nfs/dbraw/zinc/32/31/55/154323155.db2.gz AEEZMVJSIIUOPF-CYBMUJFWSA-N 2 0 259.353 2.970 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCCC1 ZINC000422883411 292307449 /nfs/dbraw/zinc/30/74/49/292307449.db2.gz BYNDUEYMVAQDAZ-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000348111156 154324869 /nfs/dbraw/zinc/32/48/69/154324869.db2.gz VVIYTANXUREMRL-RDJZCZTQSA-N 2 0 276.424 2.905 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)[C@H](C)C1 ZINC000348126948 154330983 /nfs/dbraw/zinc/33/09/83/154330983.db2.gz RGYVQSMZFXFTIS-LAVFITLUSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1ccccc1C[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660425190 413305027 /nfs/dbraw/zinc/30/50/27/413305027.db2.gz RCRXFQCJENWLCA-SJLPKXTDSA-N 2 0 292.467 2.559 20 0 CFADRP OC[C@H](CC1CCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000355533547 155034151 /nfs/dbraw/zinc/03/41/51/155034151.db2.gz PJHGDXFIJHIWSO-KRWDZBQOSA-N 2 0 294.483 2.924 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000355669757 155060981 /nfs/dbraw/zinc/06/09/81/155060981.db2.gz HSPNYDGZESQIAR-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1[nH+]ccc(N(C)CC2([NH+](C)C)CCC2)c1Cl ZINC000355667930 155061665 /nfs/dbraw/zinc/06/16/65/155061665.db2.gz LMKFTRRIBBYVDY-UHFFFAOYSA-N 2 0 267.804 2.964 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000355877024 155106201 /nfs/dbraw/zinc/10/62/01/155106201.db2.gz CBMYKSGPGLDZSY-UHFFFAOYSA-N 2 0 266.351 2.993 20 0 CFADRP C[C@H]1C[C@@H](Nc2nccc3c(N)cccc32)CC[N@@H+]1C ZINC000663661416 413306176 /nfs/dbraw/zinc/30/61/76/413306176.db2.gz PHPNIGMTQOXRBT-RYUDHWBXSA-N 2 0 270.380 2.712 20 0 CFADRP CN(CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000364051619 156219049 /nfs/dbraw/zinc/21/90/49/156219049.db2.gz BMNWSUGKLVOAAK-OAHLLOKOSA-N 2 0 284.407 2.726 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367365728 156320357 /nfs/dbraw/zinc/32/03/57/156320357.db2.gz RFXCFVZVLFYOHN-YESZJQIVSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)o1 ZINC000367467873 156338145 /nfs/dbraw/zinc/33/81/45/156338145.db2.gz XVALZTVWDCVRCQ-VNQPRFMTSA-N 2 0 260.381 2.504 20 0 CFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000367472410 156338574 /nfs/dbraw/zinc/33/85/74/156338574.db2.gz KUDCXMPUYIHGJJ-NXHRZFHOSA-N 2 0 286.419 2.611 20 0 CFADRP C[C@@H](F)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367560066 156349579 /nfs/dbraw/zinc/34/95/79/156349579.db2.gz STNSKVJUYQQMPB-CQSZACIVSA-N 2 0 279.403 2.978 20 0 CFADRP C[C@H](F)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367560065 156349911 /nfs/dbraw/zinc/34/99/11/156349911.db2.gz STNSKVJUYQQMPB-AWEZNQCLSA-N 2 0 279.403 2.978 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)[C@@H]2CCC[C@@H]21 ZINC000367599240 156357446 /nfs/dbraw/zinc/35/74/46/156357446.db2.gz HCYDUJVVWMZSGO-XIRDDKMYSA-N 2 0 294.389 2.970 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000367599614 156358203 /nfs/dbraw/zinc/35/82/03/156358203.db2.gz XCDKJJRDKHZXFE-BRWVUGGUSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Oc1ccccc1 ZINC000367616377 156364821 /nfs/dbraw/zinc/36/48/21/156364821.db2.gz OADKDPQFHNHVPD-VDHUWJSZSA-N 2 0 288.435 2.916 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1C ZINC000367615734 156365358 /nfs/dbraw/zinc/36/53/58/156365358.db2.gz MAWBXFLWBWLNIP-BRWVUGGUSA-N 2 0 288.435 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367635806 156370593 /nfs/dbraw/zinc/37/05/93/156370593.db2.gz MCXKVYUHYOCNQF-ULQDDVLXSA-N 2 0 294.389 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H]2CCC[C@@H]21 ZINC000367744980 156385813 /nfs/dbraw/zinc/38/58/13/156385813.db2.gz BNCDLCXSRVZJSF-KKUMJFAQSA-N 2 0 293.842 2.740 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414920456 289457247 /nfs/dbraw/zinc/45/72/47/289457247.db2.gz XSILMTRPOOCLMA-GHMZBOCLSA-N 2 0 252.324 2.839 20 0 CFADRP CC(C)C[N@@H+]1CC[C@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663709769 413332405 /nfs/dbraw/zinc/33/24/05/413332405.db2.gz QCPVMWWUNRVRLS-CYBMUJFWSA-N 2 0 272.396 2.953 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423059959 289460321 /nfs/dbraw/zinc/46/03/21/289460321.db2.gz GZAUPOGQIAQTCW-AGIUHOORSA-N 2 0 296.377 2.577 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000449112802 292350292 /nfs/dbraw/zinc/35/02/92/292350292.db2.gz SUPDFWOWNZMMCT-ZMSDIMECSA-N 2 0 282.472 2.902 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000159161181 292350299 /nfs/dbraw/zinc/35/02/99/292350299.db2.gz NSQKQPWTDFZXHY-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCC1 ZINC000651187319 413338974 /nfs/dbraw/zinc/33/89/74/413338974.db2.gz LPDXFSOEXMVZLK-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(c3nccc4c(N)cccc43)CC[C@@H]21 ZINC000663721394 413341186 /nfs/dbraw/zinc/34/11/86/413341186.db2.gz MATYVTTURWKMNC-DYVFJYSZSA-N 2 0 296.418 2.738 20 0 CFADRP CCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373982687 157052928 /nfs/dbraw/zinc/05/29/28/157052928.db2.gz ZIARBABQEKFYLQ-GASCZTMLSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1C[N@H+](CCC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000374257273 157088816 /nfs/dbraw/zinc/08/88/16/157088816.db2.gz YICIKZAKNAFEFM-INIZCTEOSA-N 2 0 293.499 2.667 20 0 CFADRP CCCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374313314 157097413 /nfs/dbraw/zinc/09/74/13/157097413.db2.gz UEVQMNKSUXDCLX-CQSZACIVSA-N 2 0 250.430 2.983 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000374526437 157125228 /nfs/dbraw/zinc/12/52/28/157125228.db2.gz IJVWQIUPEHOXCG-CUSZFKRNSA-N 2 0 290.451 2.910 20 0 CFADRP CC(C)CCOCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375745477 157279559 /nfs/dbraw/zinc/27/95/59/157279559.db2.gz QJJVUINJNRLJQG-XYPWUTKMSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375792040 157286016 /nfs/dbraw/zinc/28/60/16/157286016.db2.gz PJLHJNRRKPQNLT-VIBAHUMZSA-N 2 0 288.435 2.702 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375853874 157297752 /nfs/dbraw/zinc/29/77/52/157297752.db2.gz RILNSMOTMWQZCS-NUJGCVRESA-N 2 0 287.451 2.715 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC000376000662 157313568 /nfs/dbraw/zinc/31/35/68/157313568.db2.gz QHSGMQQIGWQBGI-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP COCCC[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000177836733 292377550 /nfs/dbraw/zinc/37/75/50/292377550.db2.gz RMKXVDYNOAJHGJ-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP COCCC[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1 ZINC000423342631 292378837 /nfs/dbraw/zinc/37/88/37/292378837.db2.gz ZDFOYBDWFPRRBD-OAHLLOKOSA-N 2 0 268.376 2.622 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000660540629 413383268 /nfs/dbraw/zinc/38/32/68/413383268.db2.gz DIUPFIQWESQXJD-SZNINPNASA-N 2 0 293.499 2.521 20 0 CFADRP C[N@H+](CCCn1ccnc1)CCc1noc2ccccc21 ZINC000653593842 413392730 /nfs/dbraw/zinc/39/27/30/413392730.db2.gz SQDRCTHYDAAOMS-UHFFFAOYSA-N 2 0 284.363 2.589 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000653598038 413394833 /nfs/dbraw/zinc/39/48/33/413394833.db2.gz KAXPXIAVSWTISO-ZBFHGGJFSA-N 2 0 286.419 2.803 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000653598035 413398166 /nfs/dbraw/zinc/39/81/66/413398166.db2.gz KAXPXIAVSWTISO-GDBMZVCRSA-N 2 0 286.419 2.803 20 0 CFADRP c1cc(C[NH2+]CC2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657287234 413398494 /nfs/dbraw/zinc/39/84/94/413398494.db2.gz JEALAWQVPMRVHR-UHFFFAOYSA-N 2 0 270.380 2.937 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNCc1nc(C)c[nH]1 ZINC000657296898 413412474 /nfs/dbraw/zinc/41/24/74/413412474.db2.gz KFOMYKZYUPSCSC-UHFFFAOYSA-N 2 0 286.423 2.850 20 0 CFADRP Cn1ncc(C2CC2)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000657300978 413417963 /nfs/dbraw/zinc/41/79/63/413417963.db2.gz WRSGPPPRGGTLAI-UHFFFAOYSA-N 2 0 298.434 2.649 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856534 298379513 /nfs/dbraw/zinc/37/95/13/298379513.db2.gz OFSUTSYKFBSICC-MXWKQRLJSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000449090393 286877814 /nfs/dbraw/zinc/87/78/14/286877814.db2.gz NQMYIFATWBMMGX-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423015377 298400178 /nfs/dbraw/zinc/40/01/78/298400178.db2.gz KOTNKXNSHJNCAE-ONERCXAPSA-N 2 0 284.350 2.512 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000342738608 161697086 /nfs/dbraw/zinc/69/70/86/161697086.db2.gz SFJQWFQXGJNZNJ-OAHLLOKOSA-N 2 0 283.504 2.817 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000651384195 413435128 /nfs/dbraw/zinc/43/51/28/413435128.db2.gz RWGVXZXAZRRRAD-QAPCUYQASA-N 2 0 290.451 2.564 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1ccccn1)C1CC[NH+](C)CC1 ZINC000651383618 413436411 /nfs/dbraw/zinc/43/64/11/413436411.db2.gz XFXWXOBLZGWHPA-AWEZNQCLSA-N 2 0 275.440 2.679 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000343538347 161796348 /nfs/dbraw/zinc/79/63/48/161796348.db2.gz UYLLZAVTNVALJC-KBXCAEBGSA-N 2 0 288.435 2.529 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC000344324012 162010587 /nfs/dbraw/zinc/01/05/87/162010587.db2.gz FPWUZEQGRGSWSD-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@](C)(O)C2CC2)C1 ZINC000344405838 162034867 /nfs/dbraw/zinc/03/48/67/162034867.db2.gz HLCPRYXJQRKJSR-OLMNPRSZSA-N 2 0 288.435 2.573 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)CC[N@@H+]1C ZINC000344623010 162083225 /nfs/dbraw/zinc/08/32/25/162083225.db2.gz HFWRZMJJSYDZHH-UOYPKJBKSA-N 2 0 262.372 2.911 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000344640796 162088114 /nfs/dbraw/zinc/08/81/14/162088114.db2.gz NLWSTZXXLGOXEZ-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP CC1=CCN(CC[NH2+][C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000344664541 162092614 /nfs/dbraw/zinc/09/26/14/162092614.db2.gz LQWMSQHLYGRIJY-INIZCTEOSA-N 2 0 288.435 2.955 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)C1 ZINC000344710574 162104342 /nfs/dbraw/zinc/10/43/42/162104342.db2.gz FYVCQCSHVXAFJY-HEHGZKQESA-N 2 0 280.387 2.523 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@H+](C)C2CCN(CCO)CC2)C1 ZINC000346215297 162353966 /nfs/dbraw/zinc/35/39/66/162353966.db2.gz PTVGFJBYNPOTSK-CVEARBPZSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1cc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc2cccnc12 ZINC000346221030 162355647 /nfs/dbraw/zinc/35/56/47/162355647.db2.gz NOJUKCLFROKIPF-SJORKVTESA-N 2 0 281.403 2.727 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626748 413444329 /nfs/dbraw/zinc/44/43/29/413444329.db2.gz LJNOLLZMHLIBJP-CVEARBPZSA-N 2 0 273.424 2.745 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000346995765 162578800 /nfs/dbraw/zinc/57/88/00/162578800.db2.gz CSCKAGGGIYIYIU-UHFFFAOYSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@@H+](C2CCC2)C1 ZINC000663931562 413449516 /nfs/dbraw/zinc/44/95/16/413449516.db2.gz CDCBLNYIDDKACW-CYBMUJFWSA-N 2 0 284.407 2.874 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000349661109 163000246 /nfs/dbraw/zinc/00/02/46/163000246.db2.gz DYGZMKIUJTYYRS-ZSHCYNCHSA-N 2 0 270.461 2.759 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000349717080 163006766 /nfs/dbraw/zinc/00/67/66/163006766.db2.gz CDGBWXOCHRMQDT-VAZJSPDQSA-N 2 0 282.472 2.900 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000349720083 163008318 /nfs/dbraw/zinc/00/83/18/163008318.db2.gz ISFCEFLEAZGEQF-LMPOIIKSSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1c[nH]c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000657328770 413454716 /nfs/dbraw/zinc/45/47/16/413454716.db2.gz FCAXRHHWXNJESY-UHFFFAOYSA-N 2 0 298.434 2.720 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CCOCC1 ZINC000349932454 163039742 /nfs/dbraw/zinc/03/97/42/163039742.db2.gz JACVGWINGKJJHT-BHYGNILZSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000350017954 163052688 /nfs/dbraw/zinc/05/26/88/163052688.db2.gz UGWNQIONWUHVIW-NVXWUHKLSA-N 2 0 282.472 2.713 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000350091173 163058037 /nfs/dbraw/zinc/05/80/37/163058037.db2.gz KAOCELOITQPJNZ-UHFFFAOYSA-N 2 0 267.804 2.509 20 0 CFADRP C[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)CC1CCCCC1 ZINC000350109895 163061159 /nfs/dbraw/zinc/06/11/59/163061159.db2.gz UPYGNKJZWRWDDK-HNNXBMFYSA-N 2 0 282.472 2.639 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000350175744 163066365 /nfs/dbraw/zinc/06/63/65/163066365.db2.gz ITBZIKKCGSOICV-UHFFFAOYSA-N 2 0 276.424 2.946 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cncs2)CC1 ZINC000350224318 163067182 /nfs/dbraw/zinc/06/71/82/163067182.db2.gz UZLCIGAEZBCSDW-UHFFFAOYSA-N 2 0 267.442 2.697 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1sccc1C ZINC000350312202 163072181 /nfs/dbraw/zinc/07/21/81/163072181.db2.gz AJRDKOVLBQXZHT-UHFFFAOYSA-N 2 0 270.442 2.505 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(C)c1C ZINC000350363979 163074488 /nfs/dbraw/zinc/07/44/88/163074488.db2.gz ZOIDHFCROGFOHK-UHFFFAOYSA-N 2 0 278.440 2.751 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3c(F)cccc3Cl)C[C@H]12 ZINC000351479875 163131890 /nfs/dbraw/zinc/13/18/90/163131890.db2.gz SPOADTMSJFBFDC-ITDIGPHOSA-N 2 0 282.790 2.691 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]12 ZINC000351489464 163134067 /nfs/dbraw/zinc/13/40/67/163134067.db2.gz HGAVZXACRFTHBJ-CWRNSKLLSA-N 2 0 299.443 2.979 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351867640 163208207 /nfs/dbraw/zinc/20/82/07/163208207.db2.gz ZJRQADBBXGCIMP-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP CCc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000352759253 163228467 /nfs/dbraw/zinc/22/84/67/163228467.db2.gz JVMZPXGTKLNIKC-UHFFFAOYSA-N 2 0 275.440 2.854 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352835481 163247684 /nfs/dbraw/zinc/24/76/84/163247684.db2.gz PRGYEEVDCKVOJO-CGTJXYLNSA-N 2 0 293.499 2.594 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000352840848 163249554 /nfs/dbraw/zinc/24/95/54/163249554.db2.gz OZAIMWSHPSLSOA-HOCLYGCPSA-N 2 0 268.445 2.537 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2C)CC[NH+](C)CC1 ZINC000353194670 163315190 /nfs/dbraw/zinc/31/51/90/163315190.db2.gz QHJUYSRWYBXIJY-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CCc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cn1 ZINC000353212344 163317600 /nfs/dbraw/zinc/31/76/00/163317600.db2.gz PZGQYPDUURGFOQ-UHFFFAOYSA-N 2 0 293.480 2.561 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)s1 ZINC000353251030 163328626 /nfs/dbraw/zinc/32/86/26/163328626.db2.gz PVBIENIBZAPJEK-SECBINFHSA-N 2 0 279.434 2.840 20 0 CFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CCC2CCCCC2)CC1 ZINC000353332934 163346865 /nfs/dbraw/zinc/34/68/65/163346865.db2.gz RERUFXVTTAAGTD-KRWDZBQOSA-N 2 0 282.472 2.639 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](CC)c1nccn1C ZINC000353484305 163375105 /nfs/dbraw/zinc/37/51/05/163375105.db2.gz JMAJCXZOSISDFY-KBPBESRZSA-N 2 0 266.433 2.581 20 0 CFADRP Cc1ccc2nc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn2c1 ZINC000353512545 163382538 /nfs/dbraw/zinc/38/25/38/163382538.db2.gz DOKCGMVRILMHNP-BRWVUGGUSA-N 2 0 298.434 2.605 20 0 CFADRP OC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000353520233 163385004 /nfs/dbraw/zinc/38/50/04/163385004.db2.gz NLDUULLLSDOOPD-LXPRWKDFSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000353527601 163387003 /nfs/dbraw/zinc/38/70/03/163387003.db2.gz DKUVZQHHSUGMLV-JEYLPNPQSA-N 2 0 278.444 2.987 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353556874 163392995 /nfs/dbraw/zinc/39/29/95/163392995.db2.gz GKHHXMDOZRYRNS-HZPDHXFCSA-N 2 0 287.451 2.884 20 0 CFADRP CCOc1ccc(C[NH2+]CCCC[NH+](C)C)c(C)c1 ZINC000657335997 413462400 /nfs/dbraw/zinc/46/24/00/413462400.db2.gz WHBCHEZDFDRFBC-UHFFFAOYSA-N 2 0 264.413 2.825 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000423348050 287020102 /nfs/dbraw/zinc/02/01/02/287020102.db2.gz RVWSYRSQCZSYBJ-LLVKDONJSA-N 2 0 258.356 2.710 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651425978 413466252 /nfs/dbraw/zinc/46/62/52/413466252.db2.gz SXQXNEHQELRCPO-HNNXBMFYSA-N 2 0 275.440 2.643 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CCOCC1 ZINC000125659586 287034862 /nfs/dbraw/zinc/03/48/62/287034862.db2.gz PWYZWDLVRMEPSF-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCCCCC1 ZINC000346550937 298618241 /nfs/dbraw/zinc/61/82/41/298618241.db2.gz DUZURUNKKBNZEO-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337166 287141481 /nfs/dbraw/zinc/14/14/81/287141481.db2.gz ANNZLEQWXUQJMZ-KSSFIOAISA-N 2 0 284.403 2.950 20 0 CFADRP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660654729 413473269 /nfs/dbraw/zinc/47/32/69/413473269.db2.gz IHJIRJQAFXYKKC-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657345023 413475323 /nfs/dbraw/zinc/47/53/23/413475323.db2.gz HIPJHZJPEKMRNL-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662358 413475806 /nfs/dbraw/zinc/47/58/06/413475806.db2.gz IWHYANGLVXUUEY-MSOLQXFVSA-N 2 0 293.499 2.667 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000284341550 196035351 /nfs/dbraw/zinc/03/53/51/196035351.db2.gz MTUDZYDKGXYFKS-SJORKVTESA-N 2 0 288.435 2.531 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](OC)c2ccccc2)C1 ZINC000284432238 196053477 /nfs/dbraw/zinc/05/34/77/196053477.db2.gz PKSCQOQCWQLRJD-WBVHZDCISA-N 2 0 276.424 2.648 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000020191369 171057571 /nfs/dbraw/zinc/05/75/71/171057571.db2.gz MOLVYVGYSPQNMI-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000020200603 171064889 /nfs/dbraw/zinc/06/48/89/171064889.db2.gz IQAKAGCCWLRJNN-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000020524054 171236923 /nfs/dbraw/zinc/23/69/23/171236923.db2.gz MDUWNHMBAXDLEG-HMQMGEFJSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@@H](c1ccccn1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659307 413477933 /nfs/dbraw/zinc/47/79/33/413477933.db2.gz MZELDRKYVSMSOM-HOCLYGCPSA-N 2 0 259.397 2.560 20 0 CFADRP C[C@H](c1ccncc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659016 413479158 /nfs/dbraw/zinc/47/91/58/413479158.db2.gz LYMRTYQMSGNPNQ-GDBMZVCRSA-N 2 0 259.397 2.560 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660660483 413479662 /nfs/dbraw/zinc/47/96/62/413479662.db2.gz WCFUXTRQTUJOQX-GOSISDBHSA-N 2 0 287.451 2.670 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660662040 413480835 /nfs/dbraw/zinc/48/08/35/413480835.db2.gz QQXFXXKHLYASRU-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+]Cc3cnc4n3CCC4)c21 ZINC000657353389 413488160 /nfs/dbraw/zinc/48/81/60/413488160.db2.gz LYQNBNVUUBRNTJ-UHFFFAOYSA-N 2 0 294.402 2.951 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000660677113 413493277 /nfs/dbraw/zinc/49/32/77/413493277.db2.gz PJIYWZDOAXQADU-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CO1 ZINC000657358785 413496144 /nfs/dbraw/zinc/49/61/44/413496144.db2.gz MKNURSZWEYNLTI-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657376584 413521978 /nfs/dbraw/zinc/52/19/78/413521978.db2.gz MKBPDDSQAKUJCN-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP C[NH+](C)C1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000664026699 413524216 /nfs/dbraw/zinc/52/42/16/413524216.db2.gz AEMUTWAKXPMBHH-UHFFFAOYSA-N 2 0 258.369 2.848 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676942 413562198 /nfs/dbraw/zinc/56/21/98/413562198.db2.gz SFFBZGWQJVWUCE-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000651675980 413559494 /nfs/dbraw/zinc/55/94/94/413559494.db2.gz KLSODQVTRNZREU-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422774218 287268823 /nfs/dbraw/zinc/26/88/23/287268823.db2.gz WDSGXDHLODXXSC-OAGGEKHMSA-N 2 0 267.461 2.501 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651709467 413581875 /nfs/dbraw/zinc/58/18/75/413581875.db2.gz XQUBXSHVTSGPLT-AWEZNQCLSA-N 2 0 258.409 2.607 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651705858 413581963 /nfs/dbraw/zinc/58/19/63/413581963.db2.gz JURIULSZHNSWJQ-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP FC1(F)CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657420100 413582993 /nfs/dbraw/zinc/58/29/93/413582993.db2.gz KQIPHJNRPJQCRO-UHFFFAOYSA-N 2 0 292.333 2.935 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657456147 413630227 /nfs/dbraw/zinc/63/02/27/413630227.db2.gz PCMXCGNUKSAJFN-ZIAGYGMSSA-N 2 0 270.380 2.793 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000657457764 413634378 /nfs/dbraw/zinc/63/43/78/413634378.db2.gz CNXWKVUFJNLZHB-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(F)(F)F ZINC000657461031 413637268 /nfs/dbraw/zinc/63/72/68/413637268.db2.gz DASCCGVJGVATRP-UHFFFAOYSA-N 2 0 298.312 2.945 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@H](C)C[NH+](C)C)[nH]c2c1 ZINC000657472584 413651555 /nfs/dbraw/zinc/65/15/55/413651555.db2.gz WGOLNXXHDSJWKF-ZDUSSCGKSA-N 2 0 259.397 2.764 20 0 CFADRP CN(CCC[NH+](C)C)CCNc1nccc2sccc21 ZINC000664248057 413652247 /nfs/dbraw/zinc/65/22/47/413652247.db2.gz VSLGKMHMUXFCSF-UHFFFAOYSA-N 2 0 292.452 2.592 20 0 CFADRP CC(C)n1ccnc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000657481919 413669377 /nfs/dbraw/zinc/66/93/77/413669377.db2.gz LQRISPRTXGZCMU-UHFFFAOYSA-N 2 0 266.433 2.674 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](COC)CC(C)(C)C)CC1 ZINC000651749618 413611403 /nfs/dbraw/zinc/61/14/03/413611403.db2.gz CQJPFECTQBMJAK-HNNXBMFYSA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@]2(C)CC)CC1 ZINC000651750352 413613539 /nfs/dbraw/zinc/61/35/39/413613539.db2.gz FCFAFVPMIKYCPU-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc2c1CCC2 ZINC000651753499 413613852 /nfs/dbraw/zinc/61/38/52/413613852.db2.gz SVWUETFZVXXGFS-KRWDZBQOSA-N 2 0 290.451 2.622 20 0 CFADRP CO[C@H](C)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857255 413619658 /nfs/dbraw/zinc/61/96/58/413619658.db2.gz JETGQQLPWHYDSZ-CYBMUJFWSA-N 2 0 287.407 2.852 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285439302 196284920 /nfs/dbraw/zinc/28/49/20/196284920.db2.gz CSVRYYSYDWNASL-NSCUHMNNSA-N 2 0 278.346 2.830 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657492386 413683082 /nfs/dbraw/zinc/68/30/82/413683082.db2.gz VESJNJZWRBDQHT-NSHDSACASA-N 2 0 286.341 2.925 20 0 CFADRP Cc1occc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538337 413721715 /nfs/dbraw/zinc/72/17/15/413721715.db2.gz ZLBIMSCWUQTXGP-UHFFFAOYSA-N 2 0 292.423 2.569 20 0 CFADRP CCOCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285460280 196291596 /nfs/dbraw/zinc/29/15/96/196291596.db2.gz GTQMSJNFWGFNKY-GOSISDBHSA-N 2 0 288.435 2.621 20 0 CFADRP Cc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000664403981 413746205 /nfs/dbraw/zinc/74/62/05/413746205.db2.gz SPMNREWTODCZIZ-HNNXBMFYSA-N 2 0 259.397 2.631 20 0 CFADRP Cc1ccoc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613184 413791521 /nfs/dbraw/zinc/79/15/21/413791521.db2.gz HOWWVFXOLCZCRO-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC000657572962 413762295 /nfs/dbraw/zinc/76/22/95/413762295.db2.gz GZESSTMRCAJJQN-AWEZNQCLSA-N 2 0 297.874 2.702 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150503 413831201 /nfs/dbraw/zinc/83/12/01/413831201.db2.gz YJTONOXWAHDLNE-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000657678476 413851626 /nfs/dbraw/zinc/85/16/26/413851626.db2.gz QZWMWAOWMLVNHS-PMPSAXMXSA-N 2 0 291.483 2.608 20 0 CFADRP C[N@H+](CCOC(C)(C)C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652343756 413901092 /nfs/dbraw/zinc/90/10/92/413901092.db2.gz UQUHMFIULWEQIB-UHFFFAOYSA-N 2 0 276.424 2.579 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000652344919 413901290 /nfs/dbraw/zinc/90/12/90/413901290.db2.gz WWPODGTWVBIHBJ-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346214 413901457 /nfs/dbraw/zinc/90/14/57/413901457.db2.gz WPIWQFMXFRIZOZ-LAVFITLUSA-N 2 0 288.435 2.966 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@]2(C)CC2(C)C)cc1 ZINC000657761290 413913017 /nfs/dbraw/zinc/91/30/17/413913017.db2.gz INPRZSWIKZIZQH-QGZVFWFLSA-N 2 0 276.424 2.905 20 0 CFADRP c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nc2ccccn12 ZINC000657813038 413960250 /nfs/dbraw/zinc/96/02/50/413960250.db2.gz ZIAVMTJKRCEXTP-UHFFFAOYSA-N 2 0 298.434 2.546 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813497 413960341 /nfs/dbraw/zinc/96/03/41/413960341.db2.gz POOQXLHYENIMOJ-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP COCc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657813623 413960674 /nfs/dbraw/zinc/96/06/74/413960674.db2.gz UXXFYFYQZACEOG-UHFFFAOYSA-N 2 0 292.423 2.638 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000657815255 413962544 /nfs/dbraw/zinc/96/25/44/413962544.db2.gz NTPQBEWTIACMHP-BBRMVZONSA-N 2 0 282.497 2.982 20 0 CFADRP CC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000657813330 413962607 /nfs/dbraw/zinc/96/26/07/413962607.db2.gz OHXHRZGHWVTKPA-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C ZINC000657815278 413966911 /nfs/dbraw/zinc/96/69/11/413966911.db2.gz OGPQJUHXOWKDDP-XJKCOSOUSA-N 2 0 250.430 2.743 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000657825346 413978488 /nfs/dbraw/zinc/97/84/88/413978488.db2.gz YVFMEJNWXYILEW-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000657824373 413979987 /nfs/dbraw/zinc/97/99/87/413979987.db2.gz PUHWYYCVHVOJSY-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)CCC1 ZINC000657835743 413987741 /nfs/dbraw/zinc/98/77/41/413987741.db2.gz OAPHVBQSCFOFAJ-ZNMIVQPWSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657839467 413990072 /nfs/dbraw/zinc/99/00/72/413990072.db2.gz WJYUQWUVPFSJCR-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCOC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000657840091 413991874 /nfs/dbraw/zinc/99/18/74/413991874.db2.gz LUPDTXMTYUIJER-PWUWZPNHSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657838870 413992220 /nfs/dbraw/zinc/99/22/20/413992220.db2.gz ZSAZCNHPCWPKDW-JKSUJKDBSA-N 2 0 290.455 2.820 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C2(OC)CCC2)CC1 ZINC000657885925 414027567 /nfs/dbraw/zinc/02/75/67/414027567.db2.gz BCNVOUDZOUCNFU-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346857549 287275148 /nfs/dbraw/zinc/27/51/48/287275148.db2.gz WWGFQUPGESMHCZ-KURKYZTESA-N 2 0 293.499 2.572 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657908428 414045656 /nfs/dbraw/zinc/04/56/56/414045656.db2.gz KIVPZOYFCPVCBM-UHFFFAOYSA-N 2 0 260.372 2.537 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000037209093 173030872 /nfs/dbraw/zinc/03/08/72/173030872.db2.gz UKXIIWLBVXYTCL-ZDUSSCGKSA-N 2 0 264.388 2.688 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccsc1C ZINC000339348855 270302023 /nfs/dbraw/zinc/30/20/23/270302023.db2.gz WCYZEFLSFUPLAV-UHFFFAOYSA-N 2 0 270.442 2.505 20 0 CFADRP OC1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000285739800 196383808 /nfs/dbraw/zinc/38/38/08/196383808.db2.gz RBNVEEGBSFZFFQ-UHFFFAOYSA-N 2 0 288.435 2.676 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408189 173184150 /nfs/dbraw/zinc/18/41/50/173184150.db2.gz RCTOPNOOJHPUOY-CYBMUJFWSA-N 2 0 296.361 2.862 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408273 173184523 /nfs/dbraw/zinc/18/45/23/173184523.db2.gz RVVBVFZFBYTOQI-OAHLLOKOSA-N 2 0 274.408 2.659 20 0 CFADRP CCC[N@H+](CCOc1cccc(C)c1)C1CC[NH2+]CC1 ZINC000037539177 173260505 /nfs/dbraw/zinc/26/05/05/173260505.db2.gz YTCJZFCINTYSRI-UHFFFAOYSA-N 2 0 276.424 2.838 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]1C ZINC000658070346 414152796 /nfs/dbraw/zinc/15/27/96/414152796.db2.gz OBTDGJXUDOXPDF-OLMNPRSZSA-N 2 0 294.483 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc32)[C@H](C)C1 ZINC000658067033 414152809 /nfs/dbraw/zinc/15/28/09/414152809.db2.gz RJYFZNJJWBZANL-HIFRSBDPSA-N 2 0 287.407 2.690 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070516 414154227 /nfs/dbraw/zinc/15/42/27/414154227.db2.gz WMZJCOUWKXWCKW-AWEZNQCLSA-N 2 0 268.445 2.512 20 0 CFADRP COC1([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)CCC1 ZINC000658022477 414107022 /nfs/dbraw/zinc/10/70/22/414107022.db2.gz ATSZSRLKQUJMJF-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665266387 414220471 /nfs/dbraw/zinc/22/04/71/414220471.db2.gz AGDZMGDMCPFFIU-TVQRCGJNSA-N 2 0 269.339 2.545 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000665264791 414220801 /nfs/dbraw/zinc/22/08/01/414220801.db2.gz IHMKPQPPLOGYGX-DJIMGWMZSA-N 2 0 297.446 2.699 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665265659 414222270 /nfs/dbraw/zinc/22/22/70/414222270.db2.gz YUDMNOXYHHBGIP-YNEHKIRRSA-N 2 0 252.308 2.766 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000665264792 414222829 /nfs/dbraw/zinc/22/28/29/414222829.db2.gz IHMKPQPPLOGYGX-HYVNUMGLSA-N 2 0 297.446 2.699 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000665265122 414223060 /nfs/dbraw/zinc/22/30/60/414223060.db2.gz PYBNNMXEBPEDLG-CABCVRRESA-N 2 0 271.408 2.580 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1(F)F ZINC000665266952 414225078 /nfs/dbraw/zinc/22/50/78/414225078.db2.gz MIXBJQMZWMIZLB-UMSGYPCISA-N 2 0 258.356 2.542 20 0 CFADRP CC[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665268045 414227396 /nfs/dbraw/zinc/22/73/96/414227396.db2.gz GOZYEZYZTGICBL-OIISXLGYSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274231 414229319 /nfs/dbraw/zinc/22/93/19/414229319.db2.gz MBQJXHXWZQFBLU-RJZJGCCBSA-N 2 0 272.383 2.932 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274522 414230067 /nfs/dbraw/zinc/23/00/67/414230067.db2.gz SASNWLLBADTDGD-RNCFNFMXSA-N 2 0 283.366 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC(F)CC1 ZINC000665273925 414231221 /nfs/dbraw/zinc/23/12/21/414231221.db2.gz GRWJTOGEVGZPIV-UFPQDOEBSA-N 2 0 268.420 2.881 20 0 CFADRP FC1(F)CC12CCC([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000665273818 414231523 /nfs/dbraw/zinc/23/15/23/414231523.db2.gz DTKASVVMXCZSOO-HPCMXSDISA-N 2 0 270.367 2.827 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)C ZINC000658143583 414232201 /nfs/dbraw/zinc/23/22/01/414232201.db2.gz IAQANYYJKVMNDZ-ZWKOTPCHSA-N 2 0 290.451 2.777 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665272619 414232236 /nfs/dbraw/zinc/23/22/36/414232236.db2.gz IJVSALAUPWQFTA-XIKOKIGWSA-N 2 0 296.418 2.769 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274229 414232441 /nfs/dbraw/zinc/23/24/41/414232441.db2.gz MBQJXHXWZQFBLU-AHPWVWPOSA-N 2 0 272.383 2.932 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139280 414234204 /nfs/dbraw/zinc/23/42/04/414234204.db2.gz QLRIGBURXLRNDL-FGTMMUONSA-N 2 0 288.435 2.531 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275940 414235371 /nfs/dbraw/zinc/23/53/71/414235371.db2.gz VWUPPUJNNUJWII-JSGCOSHPSA-N 2 0 289.448 2.946 20 0 CFADRP COC1CC(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000665230779 414189724 /nfs/dbraw/zinc/18/97/24/414189724.db2.gz VVQBVYFBRWQWNR-UIDBIOKJSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccn1 ZINC000665231902 414192019 /nfs/dbraw/zinc/19/20/19/414192019.db2.gz ALPIREMHMFDKAR-VMGRFDJRSA-N 2 0 267.376 2.920 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665236740 414192575 /nfs/dbraw/zinc/19/25/75/414192575.db2.gz SRTXFXBOKORROB-AVGNSLFASA-N 2 0 252.377 2.781 20 0 CFADRP c1cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2o1 ZINC000665237630 414196143 /nfs/dbraw/zinc/19/61/43/414196143.db2.gz FYLGNYNEKOQUOT-YIONKMFJSA-N 2 0 256.349 2.805 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)C1 ZINC000665238905 414197636 /nfs/dbraw/zinc/19/76/36/414197636.db2.gz HIQGICQINRARMH-MDZLAQPJSA-N 2 0 294.361 2.736 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccnc2ccccc12 ZINC000665238808 414198312 /nfs/dbraw/zinc/19/83/12/414198312.db2.gz FCQYERJULAIOOO-AWEZNQCLSA-N 2 0 271.408 2.884 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccnc2c1 ZINC000665238857 414198393 /nfs/dbraw/zinc/19/83/93/414198393.db2.gz GCAIBGTWWUXOOU-BRWVUGGUSA-N 2 0 295.430 2.755 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239222 414198457 /nfs/dbraw/zinc/19/84/57/414198457.db2.gz OELKKETTWLRASL-NVXWUHKLSA-N 2 0 283.419 2.884 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000665245256 414204613 /nfs/dbraw/zinc/20/46/13/414204613.db2.gz CSGVQABNBQQDAV-SJORKVTESA-N 2 0 260.425 2.966 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000658106862 414206496 /nfs/dbraw/zinc/20/64/96/414206496.db2.gz GDIVXMNTVABCSR-SZMVWBNQSA-N 2 0 295.515 2.817 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000658108510 414206672 /nfs/dbraw/zinc/20/66/72/414206672.db2.gz ODOVKCRKFKYXNN-SOUVJXGZSA-N 2 0 284.488 2.882 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000658106860 414206834 /nfs/dbraw/zinc/20/68/34/414206834.db2.gz GDIVXMNTVABCSR-JQHSSLGASA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCc3ccccc3CC2)CCCC1 ZINC000665247181 414207491 /nfs/dbraw/zinc/20/74/91/414207491.db2.gz XHLOFKHTCLQMLT-UHFFFAOYSA-N 2 0 258.409 2.795 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665245268 414207529 /nfs/dbraw/zinc/20/75/29/414207529.db2.gz CXSPHJXBDDBAIA-RCCFBDPRSA-N 2 0 288.435 2.550 20 0 CFADRP COCc1csc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000665262916 414216590 /nfs/dbraw/zinc/21/65/90/414216590.db2.gz BPMASMJGZWKWIU-UHFFFAOYSA-N 2 0 268.426 2.502 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665262316 414216737 /nfs/dbraw/zinc/21/67/37/414216737.db2.gz YMKBWRSYBJFIRQ-ACJTYDJDSA-N 2 0 296.361 2.605 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279838 414241779 /nfs/dbraw/zinc/24/17/79/414241779.db2.gz NKEUSPMIAZYSPX-UIDBIOKJSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000665279753 414242171 /nfs/dbraw/zinc/24/21/71/414242171.db2.gz LIUIGDICTKETFE-RHSMWYFYSA-N 2 0 286.423 2.896 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665279375 414242855 /nfs/dbraw/zinc/24/28/55/414242855.db2.gz BCWNLQKVDSJQIQ-IUODEOHRSA-N 2 0 280.412 2.728 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280323 414244208 /nfs/dbraw/zinc/24/42/08/414244208.db2.gz YQYSSQOFBYMDFL-IUODEOHRSA-N 2 0 250.386 2.719 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000665280774 414244638 /nfs/dbraw/zinc/24/46/38/414244638.db2.gz LARWKLQLDOGJMZ-WMLDXEAASA-N 2 0 286.423 2.896 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000665279754 414245299 /nfs/dbraw/zinc/24/52/99/414245299.db2.gz LIUIGDICTKETFE-WMLDXEAASA-N 2 0 286.423 2.896 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000658170663 414259360 /nfs/dbraw/zinc/25/93/60/414259360.db2.gz BWXBQZLKAPNKBN-ZOBUZTSGSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000658176966 414264606 /nfs/dbraw/zinc/26/46/06/414264606.db2.gz LRLREIPWYSOFBQ-DOTOQJQBSA-N 2 0 260.425 2.918 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000665300156 414271760 /nfs/dbraw/zinc/27/17/60/414271760.db2.gz ZFOPOKFXRDNMBR-OALUTQOASA-N 3 0 299.462 2.843 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000658188185 414272079 /nfs/dbraw/zinc/27/20/79/414272079.db2.gz PBOINCDQTQNHRF-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000665300426 414273091 /nfs/dbraw/zinc/27/30/91/414273091.db2.gz BKQXQPHTMGQTCM-QJPTWQEYSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299272 414274037 /nfs/dbraw/zinc/27/40/37/414274037.db2.gz JTFJQWYIWCUQIN-GWCFXTLKSA-N 2 0 287.329 2.578 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@H](C)C1 ZINC000658192180 414275202 /nfs/dbraw/zinc/27/52/02/414275202.db2.gz AGSGBKMQKFQNFX-HUUCEWRRSA-N 2 0 288.451 2.851 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)O1 ZINC000658220251 414292028 /nfs/dbraw/zinc/29/20/28/414292028.db2.gz PEUWLWBYNNVLCU-ZFWWWQNUSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000658222193 414296563 /nfs/dbraw/zinc/29/65/63/414296563.db2.gz QAEQCWPMOZGUHO-AAEUAGOBSA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658225020 414297479 /nfs/dbraw/zinc/29/74/79/414297479.db2.gz RBUHFNRCFSHSST-AGIUHOORSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccccc1OC(F)F ZINC000037714891 173633338 /nfs/dbraw/zinc/63/33/38/173633338.db2.gz ILEZWOPXHQGEFT-JTQLQIEISA-N 2 0 258.312 2.678 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000658317814 414372820 /nfs/dbraw/zinc/37/28/20/414372820.db2.gz MYJHBPWUUBPFLV-OLZOCXBDSA-N 2 0 289.448 2.911 20 0 CFADRP c1cn2c(n1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CCC2 ZINC000655712953 414382968 /nfs/dbraw/zinc/38/29/68/414382968.db2.gz WNSGWCGIPRYYDS-MRXNPFEDSA-N 2 0 290.455 2.964 20 0 CFADRP CCC[C@@H](C)[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000658344021 414390219 /nfs/dbraw/zinc/39/02/19/414390219.db2.gz NJNPJQGKZRJZIM-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000655751658 414408298 /nfs/dbraw/zinc/40/82/98/414408298.db2.gz PLCOQAXSXVMEQT-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000655839564 414472323 /nfs/dbraw/zinc/47/23/23/414472323.db2.gz SZOORGGRLXDDPF-KBUPBQIOSA-N 2 0 268.445 2.652 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246046 414473310 /nfs/dbraw/zinc/47/33/10/414473310.db2.gz XQJDZRUANUAEOX-NSHDSACASA-N 2 0 270.829 2.713 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000655803969 414448605 /nfs/dbraw/zinc/44/86/05/414448605.db2.gz KHHORRYDIZPAQV-XFBWCDHKSA-N 2 0 277.387 2.602 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000655803911 414449247 /nfs/dbraw/zinc/44/92/47/414449247.db2.gz HUFIHKXCHFGEPR-IMJJTQAJSA-N 2 0 290.455 2.961 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805142 414449544 /nfs/dbraw/zinc/44/95/44/414449544.db2.gz JKEKEKCBRCFOBC-FZKCQIBNSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000655804824 414449560 /nfs/dbraw/zinc/44/95/60/414449560.db2.gz COHWIJJJYAKSFK-FPMFFAJLSA-N 2 0 250.386 2.887 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000655804092 414449698 /nfs/dbraw/zinc/44/96/98/414449698.db2.gz OWFBAGYKZLHVRB-UHOFOFEASA-N 2 0 250.430 2.885 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655807426 414450619 /nfs/dbraw/zinc/45/06/19/414450619.db2.gz LTJZJWOOYBLGLI-KCQAQPDRSA-N 2 0 262.397 2.686 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000655805474 414450972 /nfs/dbraw/zinc/45/09/72/414450972.db2.gz ODOUTIKOAANKBG-PVXIVEMSSA-N 2 0 298.377 2.582 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806162 414450988 /nfs/dbraw/zinc/45/09/88/414450988.db2.gz ZZINGWGWJRKDRZ-KCQAQPDRSA-N 2 0 261.413 2.635 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000655810941 414453964 /nfs/dbraw/zinc/45/39/64/414453964.db2.gz PGOHRJRGQJOICY-CQSZACIVSA-N 2 0 276.424 2.824 20 0 CFADRP Cc1cnc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000655808671 414454128 /nfs/dbraw/zinc/45/41/28/414454128.db2.gz GETZDGBJIYUDCH-UHFFFAOYSA-N 2 0 287.451 2.705 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000662213163 414458686 /nfs/dbraw/zinc/45/86/86/414458686.db2.gz VEFGZHQCALFVPL-QGZVFWFLSA-N 2 0 258.409 2.866 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000655823935 414460985 /nfs/dbraw/zinc/46/09/85/414460985.db2.gz CTSRCMKUAUJCRZ-AKAXFMLLSA-N 2 0 258.409 2.605 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000655824071 414461471 /nfs/dbraw/zinc/46/14/71/414461471.db2.gz DKTKKQJGZMAJQH-ISANGGDFSA-N 2 0 280.362 2.908 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CC1CC[NH2+]CC1)CC3 ZINC000662227452 414463044 /nfs/dbraw/zinc/46/30/44/414463044.db2.gz QEBANOOESYLLEP-UHFFFAOYSA-N 2 0 283.419 2.834 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000655827663 414464286 /nfs/dbraw/zinc/46/42/86/414464286.db2.gz XBIUKNWTTGUQHK-TXEJJXNPSA-N 2 0 270.779 2.909 20 0 CFADRP COc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1Cl ZINC000662234851 414468709 /nfs/dbraw/zinc/46/87/09/414468709.db2.gz NZSYYEYZNNLIGX-UHFFFAOYSA-N 2 0 268.788 2.519 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000658355835 414399825 /nfs/dbraw/zinc/39/98/25/414399825.db2.gz KZHBKHUTRLRFKN-ZDUSSCGKSA-N 2 0 291.414 2.993 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355496 414400091 /nfs/dbraw/zinc/40/00/91/414400091.db2.gz IZLUBYYIBOHJIL-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)no1 ZINC000658354235 414401222 /nfs/dbraw/zinc/40/12/22/414401222.db2.gz YKQHTMPTJPNRLM-CYBMUJFWSA-N 2 0 277.412 2.756 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000658358265 414402585 /nfs/dbraw/zinc/40/25/85/414402585.db2.gz ZUANZJFWCVIZAX-GOSISDBHSA-N 2 0 294.483 2.903 20 0 CFADRP CO[C@@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C1CCCCC1 ZINC000662250100 414476558 /nfs/dbraw/zinc/47/65/58/414476558.db2.gz YAYCMSPGZRYLQQ-GJZGRUSLSA-N 2 0 256.434 2.545 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000655848762 414476741 /nfs/dbraw/zinc/47/67/41/414476741.db2.gz KDDGWEUNQQIOFA-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251968 414476930 /nfs/dbraw/zinc/47/69/30/414476930.db2.gz HDUNZTKEGYEKNZ-FUHWJXTLSA-N 2 0 298.430 2.659 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249362 414477583 /nfs/dbraw/zinc/47/75/83/414477583.db2.gz UHNNTRFXCLTDDN-NVXWUHKLSA-N 2 0 288.435 2.808 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+](CC1CCCCC1)C1CC1 ZINC000662253243 414478763 /nfs/dbraw/zinc/47/87/63/414478763.db2.gz UWDHWNPPVSGVPQ-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC2(CCCC2)O1 ZINC000655852894 414481180 /nfs/dbraw/zinc/48/11/80/414481180.db2.gz QEOWILKGQPPGLI-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662264215 414482758 /nfs/dbraw/zinc/48/27/58/414482758.db2.gz CIIOBIFVIXZIOK-NEPJUHHUSA-N 2 0 275.421 2.508 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000662265235 414484869 /nfs/dbraw/zinc/48/48/69/414484869.db2.gz GQBBTUQWOSEJRX-YESZJQIVSA-N 2 0 258.409 2.979 20 0 CFADRP CC[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1[NH3+] ZINC000662271247 414486073 /nfs/dbraw/zinc/48/60/73/414486073.db2.gz UQKRWJMGFDGIDF-JSGCOSHPSA-N 2 0 289.448 2.898 20 0 CFADRP CC1(C)CCCC[C@H]1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000662272540 414488821 /nfs/dbraw/zinc/48/88/21/414488821.db2.gz FYCKIUJIVOHFLL-HOTGVXAUSA-N 2 0 294.483 2.890 20 0 CFADRP COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Cl ZINC000662272340 414489313 /nfs/dbraw/zinc/48/93/13/414489313.db2.gz DYFSIPMRPPOZKT-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP CO[C@@H](C[N@H+](CCC[NH3+])Cc1ccccc1)C1CCC1 ZINC000662273085 414489615 /nfs/dbraw/zinc/48/96/15/414489615.db2.gz SIKRAVSFRBNDMO-KRWDZBQOSA-N 2 0 276.424 2.653 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@@H]1CC[NH3+])C1CCCCC1 ZINC000662271850 414489702 /nfs/dbraw/zinc/48/97/02/414489702.db2.gz AQLGUKAWARYPOZ-CVEARBPZSA-N 2 0 268.445 2.785 20 0 CFADRP CO[C@H](CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000662274695 414490837 /nfs/dbraw/zinc/49/08/37/414490837.db2.gz KRKGLKWXHNRFOY-GVDBMIGSSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276029 414490911 /nfs/dbraw/zinc/49/09/11/414490911.db2.gz IPVYZWWOJCKIBU-MTSZKFMLSA-N 2 0 262.441 2.887 20 0 CFADRP CO[C@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662274420 414491260 /nfs/dbraw/zinc/49/12/60/414491260.db2.gz UAORWLJTFFVIBK-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(C3CC3)no1)CC[NH2+]CC2 ZINC000662282408 414494335 /nfs/dbraw/zinc/49/43/35/414494335.db2.gz HLFWQMQSVYRAGQ-LBPRGKRZSA-N 2 0 275.396 2.516 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662284506 414494388 /nfs/dbraw/zinc/49/43/88/414494388.db2.gz WAKBSMBTWINPES-MRXNPFEDSA-N 2 0 270.420 2.934 20 0 CFADRP C[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000662283447 414494479 /nfs/dbraw/zinc/49/44/79/414494479.db2.gz TZQALXHUYGAULV-CHWSQXEVSA-N 2 0 289.448 2.756 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000662283102 414494489 /nfs/dbraw/zinc/49/44/89/414494489.db2.gz KZLOBNYYWKIGRT-CHWSQXEVSA-N 2 0 286.391 2.916 20 0 CFADRP Fc1cccc(F)c1CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000655937896 414494939 /nfs/dbraw/zinc/49/49/39/414494939.db2.gz HJHCYJHSYVQBHY-INIZCTEOSA-N 2 0 280.362 2.583 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC000662282217 414495434 /nfs/dbraw/zinc/49/54/34/414495434.db2.gz NVFQRORKCPGINX-ZDUSSCGKSA-N 2 0 267.376 2.578 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3c(F)cccc3F)C[C@H]21 ZINC000655938649 414496211 /nfs/dbraw/zinc/49/62/11/414496211.db2.gz ZZGCQCGKJNOOFN-SUYBPPKGSA-N 2 0 294.389 2.957 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CCCC1 ZINC000662286190 414496729 /nfs/dbraw/zinc/49/67/29/414496729.db2.gz PMDLFZWPLGXUAQ-NUEKZKHPSA-N 2 0 268.445 2.641 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000662285212 414496846 /nfs/dbraw/zinc/49/68/46/414496846.db2.gz ZWCIUPZNZIIDKG-STQMWFEESA-N 2 0 280.437 2.599 20 0 CFADRP c1cc(CCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000662292114 414497141 /nfs/dbraw/zinc/49/71/41/414497141.db2.gz MPELVYLQQCZSQQ-SFHVURJKSA-N 2 0 287.451 2.726 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000662291537 414497419 /nfs/dbraw/zinc/49/74/19/414497419.db2.gz HSSZVERIETWXKH-UKRRQHHQSA-N 2 0 277.412 2.756 20 0 CFADRP c1coc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000662299151 414498650 /nfs/dbraw/zinc/49/86/50/414498650.db2.gz UGEBCIQWRARKAK-UHFFFAOYSA-N 2 0 262.397 2.849 20 0 CFADRP C(C[NH+]1CCC(C2CCC2)CC1)C1CC[NH2+]CC1 ZINC000662299264 414499575 /nfs/dbraw/zinc/49/95/75/414499575.db2.gz MUMSPVYMZBHIKR-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+]C[C@@H]1CCc2ccccc2N1CCC[NH+]1CCCCC1 ZINC000662304857 414501027 /nfs/dbraw/zinc/50/10/27/414501027.db2.gz NCQHUYMMBOPXMY-KRWDZBQOSA-N 2 0 287.451 2.643 20 0 CFADRP CCc1nocc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662311713 414503283 /nfs/dbraw/zinc/50/32/83/414503283.db2.gz COQVOSZSTAKAJR-IUODEOHRSA-N 2 0 265.401 2.576 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541376 287283742 /nfs/dbraw/zinc/28/37/42/287283742.db2.gz XEBLBOYJLOJNMO-BZUAXINKSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)c1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662315157 414505209 /nfs/dbraw/zinc/50/52/09/414505209.db2.gz RFTBBTLZJDCFLX-CHWSQXEVSA-N 2 0 280.416 2.532 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662320882 414505807 /nfs/dbraw/zinc/50/58/07/414505807.db2.gz XSRRTKWDPUESJR-GOSISDBHSA-N 2 0 290.451 2.846 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)[C@@H]1CCC[NH3+] ZINC000662314114 414506165 /nfs/dbraw/zinc/50/61/65/414506165.db2.gz CDVPLMWLCOGJKH-CZUORRHYSA-N 2 0 261.413 2.608 20 0 CFADRP CC1CCC(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662324862 414508106 /nfs/dbraw/zinc/50/81/06/414508106.db2.gz ZJSLQJUHOONEEK-JCYILVPMSA-N 2 0 282.472 2.855 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000656199729 414533864 /nfs/dbraw/zinc/53/38/64/414533864.db2.gz BQGISCMDLPPIRW-IRXDYDNUSA-N 2 0 287.451 2.937 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CCO2 ZINC000656198381 414534557 /nfs/dbraw/zinc/53/45/57/414534557.db2.gz RWTAGYQYRQKBLO-XJKCOSOUSA-N 2 0 290.407 2.768 20 0 CFADRP Cc1cnc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)c1 ZINC000656200346 414534779 /nfs/dbraw/zinc/53/47/79/414534779.db2.gz MGCNPHKUWCYWSG-QFBILLFUSA-N 2 0 297.446 2.789 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCC(F)(F)CC1 ZINC000656200745 414534877 /nfs/dbraw/zinc/53/48/77/414534877.db2.gz CYUKXYCUSWDYMY-NTZNESFSSA-N 2 0 260.372 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC000656200369 414535195 /nfs/dbraw/zinc/53/51/95/414535195.db2.gz KTAWHTCFJSVDPU-HZSPNIEDSA-N 2 0 292.448 2.789 20 0 CFADRP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000656211855 414539261 /nfs/dbraw/zinc/53/92/61/414539261.db2.gz OBHOFJORDYUHHS-XBXGTLAGSA-N 2 0 287.382 2.856 20 0 CFADRP c1ccc([C@@H]2CC[C@@H](C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000659848954 414585669 /nfs/dbraw/zinc/58/56/69/414585669.db2.gz CODJTZANNDFVFK-DDBAPUKQSA-N 2 0 270.420 2.722 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(CC[NH+](C)C)CC2)C1 ZINC000659852983 414588924 /nfs/dbraw/zinc/58/89/24/414588924.db2.gz RGSAZWYYUONLPK-CALCHBBNSA-N 2 0 295.515 2.628 20 0 CFADRP CC(C)=CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860722 414592149 /nfs/dbraw/zinc/59/21/49/414592149.db2.gz CJWMHWGFPNIUJZ-UHFFFAOYSA-N 2 0 280.456 2.777 20 0 CFADRP [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)C1 ZINC000662708918 414596227 /nfs/dbraw/zinc/59/62/27/414596227.db2.gz VRDOLOXEFMGBPE-XYPYZODXSA-N 2 0 284.363 2.506 20 0 CFADRP CO[C@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000659866802 414596581 /nfs/dbraw/zinc/59/65/81/414596581.db2.gz JCZDNMKJVODDHV-MRXNPFEDSA-N 2 0 268.445 2.606 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659927914 414619687 /nfs/dbraw/zinc/61/96/87/414619687.db2.gz RWQRNSZKNUCNGV-NVXWUHKLSA-N 2 0 272.436 2.990 20 0 CFADRP CC1(C)C[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CO1 ZINC000659945386 414625914 /nfs/dbraw/zinc/62/59/14/414625914.db2.gz URRKMVCPTNSAJA-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659844148 414582074 /nfs/dbraw/zinc/58/20/74/414582074.db2.gz JRTOUKVJKGQABW-OWCLPIDISA-N 2 0 250.430 2.696 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000656682715 414636982 /nfs/dbraw/zinc/63/69/82/414636982.db2.gz VOPRLKHDZRJPJR-QGZVFWFLSA-N 2 0 277.456 2.611 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000659973700 414638373 /nfs/dbraw/zinc/63/83/73/414638373.db2.gz FYGJULJUGFJBNA-KURKYZTESA-N 2 0 295.515 2.628 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000038040890 174041397 /nfs/dbraw/zinc/04/13/97/174041397.db2.gz VHKJTZNPLNPGTJ-SNVBAGLBSA-N 2 0 283.213 2.852 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000038041092 174041746 /nfs/dbraw/zinc/04/17/46/174041746.db2.gz HFABYORHTXQRDQ-NSHDSACASA-N 2 0 297.240 2.722 20 0 CFADRP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000038076780 174087757 /nfs/dbraw/zinc/08/77/57/174087757.db2.gz VBHQNPJSFOWIQS-OAHLLOKOSA-N 2 0 258.409 2.877 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC000660010911 414649348 /nfs/dbraw/zinc/64/93/48/414649348.db2.gz MORCLZVVPHVIMH-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCC2)[C@@H](C)C1 ZINC000660082150 414660436 /nfs/dbraw/zinc/66/04/36/414660436.db2.gz KXJXTPHUKRPMHU-BHYGNILZSA-N 2 0 282.472 2.854 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCCCC1(C)C ZINC000660145217 414670494 /nfs/dbraw/zinc/67/04/94/414670494.db2.gz NTCZLZMEZMPMQQ-KRWDZBQOSA-N 2 0 295.515 2.772 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000040601304 174351367 /nfs/dbraw/zinc/35/13/67/174351367.db2.gz SUGOXJXVQBGVRI-OAHLLOKOSA-N 2 0 269.392 2.666 20 0 CFADRP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040620764 174354621 /nfs/dbraw/zinc/35/46/21/174354621.db2.gz DGVHTYYMODMRAA-HNNXBMFYSA-N 2 0 262.397 2.515 20 0 CFADRP C[N@H+](Cc1ccc2ncccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747082 174392957 /nfs/dbraw/zinc/39/29/57/174392957.db2.gz RHXRGRGOPYVMBG-SJPCQFCGSA-N 2 0 281.403 2.950 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344841 414676199 /nfs/dbraw/zinc/67/61/99/414676199.db2.gz YPOORWMYEDVUPK-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343797 414676906 /nfs/dbraw/zinc/67/69/06/414676906.db2.gz FLEYMHMGAUYSSD-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344487 414677179 /nfs/dbraw/zinc/67/71/79/414677179.db2.gz UMPKVENSIYMJNY-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+]C1CCSCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346669 414677410 /nfs/dbraw/zinc/67/74/10/414677410.db2.gz CHIXQYLIYFILHC-CQSZACIVSA-N 2 0 268.470 2.594 20 0 CFADRP COC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCCC1 ZINC000663345231 414677801 /nfs/dbraw/zinc/67/78/01/414677801.db2.gz HFFCDJNWTHICAP-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(C[NH3+])CC1 ZINC000044511608 175188014 /nfs/dbraw/zinc/18/80/14/175188014.db2.gz CJWFSJZSFHDEAV-JTQLQIEISA-N 2 0 254.324 2.697 20 0 CFADRP CC(C)Oc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000044512310 175188349 /nfs/dbraw/zinc/18/83/49/175188349.db2.gz ARXFUPCJBXXDJV-UHFFFAOYSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1F ZINC000044515625 175189835 /nfs/dbraw/zinc/18/98/35/175189835.db2.gz ANEGFDGULKGKJT-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044515629 175189925 /nfs/dbraw/zinc/18/99/25/175189925.db2.gz YUAPJIUDLZHORA-CYBMUJFWSA-N 2 0 292.423 2.696 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000044516046 175190028 /nfs/dbraw/zinc/19/00/28/175190028.db2.gz KCIVSDFMDFCMJA-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000044516040 175190131 /nfs/dbraw/zinc/19/01/31/175190131.db2.gz HKEUJXGXRWSCBZ-UHFFFAOYSA-N 2 0 258.365 2.864 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)cc2)CC1 ZINC000044517306 175190325 /nfs/dbraw/zinc/19/03/25/175190325.db2.gz HMWWOSPWZJQUCJ-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044516997 175190498 /nfs/dbraw/zinc/19/04/98/175190498.db2.gz HYZKIXBOFSPPML-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534578 175197022 /nfs/dbraw/zinc/19/70/22/175197022.db2.gz GLKDJHRULJAYRY-GOEBONIOSA-N 2 0 276.424 2.645 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044533726 175197584 /nfs/dbraw/zinc/19/75/84/175197584.db2.gz YVTMUDPMEGKTJW-CQSZACIVSA-N 2 0 264.438 2.840 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000044535811 175199098 /nfs/dbraw/zinc/19/90/98/175199098.db2.gz PPYXHGSCPDCUKE-CYBMUJFWSA-N 2 0 252.789 2.771 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000044537149 175199984 /nfs/dbraw/zinc/19/99/84/175199984.db2.gz TVYHQISBYSLPBN-HNNXBMFYSA-N 2 0 269.392 2.666 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000054309197 175557196 /nfs/dbraw/zinc/55/71/96/175557196.db2.gz RFBZEGJLFQHASQ-GXFFZTMASA-N 2 0 267.442 2.800 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000070169581 175876489 /nfs/dbraw/zinc/87/64/89/175876489.db2.gz TVQZIOQBHZZCGU-LBPRGKRZSA-N 2 0 284.350 2.849 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423226202 298960706 /nfs/dbraw/zinc/96/07/06/298960706.db2.gz PTAQKJSXEIRCJO-PGUXBMHVSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422766881 298962756 /nfs/dbraw/zinc/96/27/56/298962756.db2.gz RLAVCOWUYBPHMP-HUBLWGQQSA-N 2 0 283.847 2.658 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422717157 287319326 /nfs/dbraw/zinc/31/93/26/287319326.db2.gz VPYUTVKHQNMMIB-PRLABOORSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089804 298963561 /nfs/dbraw/zinc/96/35/61/298963561.db2.gz WATAFIRUAIGOIW-ZIBATOQPSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249110035 287348293 /nfs/dbraw/zinc/34/82/93/287348293.db2.gz QRSFAGZXPLSNDI-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000430968632 287394489 /nfs/dbraw/zinc/39/44/89/287394489.db2.gz XIVBDXPLWYOSAG-HUUCEWRRSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000372393208 287398120 /nfs/dbraw/zinc/39/81/20/287398120.db2.gz QFGCWORUAJDUBG-BRWVUGGUSA-N 2 0 293.499 2.571 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193129498 228095467 /nfs/dbraw/zinc/09/54/67/228095467.db2.gz UWNUYLZUJDMKRT-ZBFHGGJFSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422749345 287623939 /nfs/dbraw/zinc/62/39/39/287623939.db2.gz YSIUQRPVBOWKRJ-BJJXKVORSA-N 2 0 260.381 2.630 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400977360 420502453 /nfs/dbraw/zinc/50/24/53/420502453.db2.gz SFSZNAYWMZBVTB-QJPTWQEYSA-N 2 0 284.856 2.922 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(Cl)c1OC ZINC000415026146 533684461 /nfs/dbraw/zinc/68/44/61/533684461.db2.gz SPQCVNNOVQTAJV-JTQLQIEISA-N 2 0 286.803 2.574 20 0 CFADRP CC[C@@H](c1ccc(Cl)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313348269 260286513 /nfs/dbraw/zinc/28/65/13/260286513.db2.gz IMWBNNZSMSRAQE-GJZGRUSLSA-N 2 0 282.815 2.841 20 0 CFADRP CCCn1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1C ZINC000518769991 261516749 /nfs/dbraw/zinc/51/67/49/261516749.db2.gz LESXURUTGFUCHM-UHFFFAOYSA-N 2 0 286.423 2.658 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOCc1ccccc1 ZINC000390079271 262106375 /nfs/dbraw/zinc/10/63/75/262106375.db2.gz AKKHGIHJSWOPGO-MRXNPFEDSA-N 2 0 276.424 2.571 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390579287 262222624 /nfs/dbraw/zinc/22/26/24/262222624.db2.gz HOVCRJRMXBFYFJ-IAGOWNOFSA-N 2 0 276.424 2.700 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000391082527 262380301 /nfs/dbraw/zinc/38/03/01/262380301.db2.gz LBUYPVYJTULSMN-MGPQQGTHSA-N 2 0 279.453 2.504 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000391212298 262390358 /nfs/dbraw/zinc/39/03/58/262390358.db2.gz QHGPHIGPHZWLHG-RRFJBIMHSA-N 2 0 293.480 2.894 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000223713496 270255563 /nfs/dbraw/zinc/25/55/63/270255563.db2.gz ZZVJADQQJCPQQJ-XPABHHOTSA-N 2 0 270.486 2.979 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000093210652 263282885 /nfs/dbraw/zinc/28/28/85/263282885.db2.gz JSWQEPXNAAYCND-ZIAGYGMSSA-N 2 0 254.418 2.585 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516210 265183704 /nfs/dbraw/zinc/18/37/04/265183704.db2.gz OJCYYCVLNKOYLG-HOTGVXAUSA-N 2 0 270.461 2.950 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000519143335 265332736 /nfs/dbraw/zinc/33/27/36/265332736.db2.gz SPMCPZAMGMYPRG-GOSISDBHSA-N 2 0 292.467 2.677 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000519155395 265343072 /nfs/dbraw/zinc/34/30/72/265343072.db2.gz DJKHGQAZFVPUSD-GJZGRUSLSA-N 2 0 299.418 2.876 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000519381421 265408406 /nfs/dbraw/zinc/40/84/06/265408406.db2.gz FVMWVUXEYBCLFP-MRXNPFEDSA-N 2 0 274.408 2.798 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000192838049 270234471 /nfs/dbraw/zinc/23/44/71/270234471.db2.gz ZAMCAYWUKDYXTA-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CC2CCCCC2)CC1 ZINC000192961404 270235447 /nfs/dbraw/zinc/23/54/47/270235447.db2.gz YIVBVYSOVLFGFZ-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000221925602 279354855 /nfs/dbraw/zinc/35/48/55/279354855.db2.gz XXQXAFFAGTVNMN-ZDUSSCGKSA-N 2 0 256.434 2.652 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000258912081 270274513 /nfs/dbraw/zinc/27/45/13/270274513.db2.gz FGELEKSPGBCQLH-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000314818263 270291793 /nfs/dbraw/zinc/29/17/93/270291793.db2.gz XVEHACZZPNRNBV-IRXDYDNUSA-N 2 0 288.435 2.614 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397436709 270317831 /nfs/dbraw/zinc/31/78/31/270317831.db2.gz CTVUZIDJXPMJNG-NFAWXSAZSA-N 2 0 262.397 2.500 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000397399752 270318007 /nfs/dbraw/zinc/31/80/07/270318007.db2.gz QPGHRGWAAGINSP-GUTXKFCHSA-N 2 0 262.397 2.500 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000397392416 270318046 /nfs/dbraw/zinc/31/80/46/270318046.db2.gz OGEKMAAHRYGIHE-ZNMIVQPWSA-N 2 0 270.486 2.886 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000397399756 270318061 /nfs/dbraw/zinc/31/80/61/270318061.db2.gz QPGHRGWAAGINSP-NFAWXSAZSA-N 2 0 262.397 2.500 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000397392411 270318086 /nfs/dbraw/zinc/31/80/86/270318086.db2.gz OGEKMAAHRYGIHE-RBSFLKMASA-N 2 0 270.486 2.886 20 0 CFADRP CCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486085 270319050 /nfs/dbraw/zinc/31/90/50/270319050.db2.gz BXUXACSVBQDBRF-MRXNPFEDSA-N 2 0 290.451 2.792 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000398008182 270320994 /nfs/dbraw/zinc/32/09/94/270320994.db2.gz ADKQJGZIBINTFJ-SPUZQDLCSA-N 2 0 287.451 2.509 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422930884 270332416 /nfs/dbraw/zinc/33/24/16/270332416.db2.gz WJODQKWCRICINU-BPLDGKMQSA-N 2 0 282.815 2.967 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424377465 270333228 /nfs/dbraw/zinc/33/32/28/270333228.db2.gz MCZBJJWSJPKYQD-CQSZACIVSA-N 2 0 286.419 2.586 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424377847 270333267 /nfs/dbraw/zinc/33/32/67/270333267.db2.gz RYKYUOXWJVIWEG-GDVJOBBMSA-N 2 0 262.372 2.731 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459381365 270336927 /nfs/dbraw/zinc/33/69/27/270336927.db2.gz VFNGDRCFWDYMOG-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000514673377 270348743 /nfs/dbraw/zinc/34/87/43/270348743.db2.gz JGDVGEKZRJCCLD-HOTGVXAUSA-N 3 0 291.483 2.860 20 0 CFADRP OC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000514924674 270358317 /nfs/dbraw/zinc/35/83/17/270358317.db2.gz YZQLZEBSHCDBOQ-GOSISDBHSA-N 2 0 294.483 2.782 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000515002273 270359826 /nfs/dbraw/zinc/35/98/26/270359826.db2.gz KAMBJFIMGCWEPL-UKRRQHHQSA-N 2 0 284.407 2.684 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000515053365 270361711 /nfs/dbraw/zinc/36/17/11/270361711.db2.gz UEKPDQWOSXNKAZ-GVDBMIGSSA-N 2 0 291.439 2.734 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000515245576 270365719 /nfs/dbraw/zinc/36/57/19/270365719.db2.gz YARBJPTUAUNZLK-UHFFFAOYSA-N 2 0 272.436 2.864 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000516044694 270377320 /nfs/dbraw/zinc/37/73/20/270377320.db2.gz PUYBVOSEJVONJV-SFHVURJKSA-N 2 0 290.451 2.817 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OCC(C)C ZINC000516062538 270377388 /nfs/dbraw/zinc/37/73/88/270377388.db2.gz CPWRIEFEMWAZHS-KGLIPLIRSA-N 2 0 294.439 2.945 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000516173911 270378307 /nfs/dbraw/zinc/37/83/07/270378307.db2.gz MAPYZMHFHOFVJQ-DYVFJYSZSA-N 2 0 297.402 2.941 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000516173913 270378415 /nfs/dbraw/zinc/37/84/15/270378415.db2.gz MAPYZMHFHOFVJQ-SUMWQHHRSA-N 2 0 297.402 2.941 20 0 CFADRP CC(C)c1nc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cs1 ZINC000516272738 270379636 /nfs/dbraw/zinc/37/96/36/270379636.db2.gz DCPNLKCBACFRLA-LLVKDONJSA-N 2 0 267.442 2.917 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000516862088 270389216 /nfs/dbraw/zinc/38/92/16/270389216.db2.gz HULCAHPUBPXYOL-HNNXBMFYSA-N 2 0 270.461 2.636 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000516938044 270392480 /nfs/dbraw/zinc/39/24/80/270392480.db2.gz RVMARFYPYWURHG-KFWWJZLASA-N 2 0 293.842 2.778 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530213662 270771513 /nfs/dbraw/zinc/77/15/13/270771513.db2.gz UQOVHNPFNLDSDB-GKWWCQFESA-N 2 0 290.838 2.956 20 0 CFADRP C1=CCC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000530213584 270772393 /nfs/dbraw/zinc/77/23/93/270772393.db2.gz ANZIEPVXBYUEBZ-SJLPKXTDSA-N 2 0 284.403 2.798 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000396964040 281198686 /nfs/dbraw/zinc/19/86/86/281198686.db2.gz JOAGNWCDRHQQED-DCAQKATOSA-N 2 0 252.324 2.505 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423390356 273774681 /nfs/dbraw/zinc/77/46/81/273774681.db2.gz KBQRTPFUFLIXDA-QJPTWQEYSA-N 2 0 279.453 2.671 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000177988052 274022599 /nfs/dbraw/zinc/02/25/99/274022599.db2.gz UTMBCOXQRKWYOE-QGZVFWFLSA-N 2 0 290.451 2.967 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000423118277 274101533 /nfs/dbraw/zinc/10/15/33/274101533.db2.gz ZUFYEMNYQRNNFT-HZMBPMFUSA-N 2 0 266.360 2.539 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423384538 274139045 /nfs/dbraw/zinc/13/90/45/274139045.db2.gz QJIOTPKGZYJWRS-RVSPLBMKSA-N 2 0 274.408 2.803 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000250452678 274139110 /nfs/dbraw/zinc/13/91/10/274139110.db2.gz XJGCJJZEIBSJBJ-RLFYNMQTSA-N 2 0 286.419 2.899 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000163099614 274163368 /nfs/dbraw/zinc/16/33/68/274163368.db2.gz VYINLSHEWRBONU-HOTGVXAUSA-N 2 0 288.435 2.969 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423150794 274208666 /nfs/dbraw/zinc/20/86/66/274208666.db2.gz CJMSICMZUAPLGN-KWQFWETISA-N 2 0 272.314 2.808 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423461488 274208740 /nfs/dbraw/zinc/20/87/40/274208740.db2.gz SUGUJEZVCKXXRH-YOEHRIQHSA-N 2 0 298.434 2.967 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(Br)cc1Cl ZINC000414887120 274214094 /nfs/dbraw/zinc/21/40/94/274214094.db2.gz YSCMUTFDAFYDCC-QMMMGPOBSA-N 2 0 291.620 2.787 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423297159 274214255 /nfs/dbraw/zinc/21/42/55/274214255.db2.gz IZLOBRIJGKMUCS-GUYCJALGSA-N 2 0 288.435 2.964 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422934109 274230163 /nfs/dbraw/zinc/23/01/63/274230163.db2.gz FIAAPDCXQVNJTP-QWRGUYRKSA-N 2 0 297.240 2.578 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919913 274245681 /nfs/dbraw/zinc/24/56/81/274245681.db2.gz AUJHZDXMTHDSJT-CABCVRRESA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422812986 274249155 /nfs/dbraw/zinc/24/91/55/274249155.db2.gz YTYGJQKMNTWDBE-KMFMINBZSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)C1C[NH2+]C1 ZINC000335602120 274258894 /nfs/dbraw/zinc/25/88/94/274258894.db2.gz VSAISAJURAFGDT-YMTOWFKASA-N 2 0 295.224 2.634 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423054363 274305663 /nfs/dbraw/zinc/30/56/63/274305663.db2.gz UPAMAPKFQGDCDD-UBDQQSCGSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423383840 274377684 /nfs/dbraw/zinc/37/76/84/274377684.db2.gz FIUAZUMXILWJJE-RLCCDNCMSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423222363 274502951 /nfs/dbraw/zinc/50/29/51/274502951.db2.gz ASGKZIKTOXCVTF-BLLLJJGKSA-N 2 0 274.408 2.716 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423535527 274849312 /nfs/dbraw/zinc/84/93/12/274849312.db2.gz DBDJTZBGMGIZLK-CYBMUJFWSA-N 2 0 277.437 2.728 20 0 CFADRP C(OC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000346998894 275396255 /nfs/dbraw/zinc/39/62/55/275396255.db2.gz YLCDVSSTVAEZAD-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C/C(=C/c1ccccc1)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000236697407 275398815 /nfs/dbraw/zinc/39/88/15/275398815.db2.gz WDBXMLFUKPEPEB-ICFOKQHNSA-N 2 0 288.435 2.792 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157407574 275512888 /nfs/dbraw/zinc/51/28/88/275512888.db2.gz NXTBORLVUUAYCR-SJORKVTESA-N 2 0 287.451 2.984 20 0 CFADRP CC(C)=CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335599842 275557587 /nfs/dbraw/zinc/55/75/87/275557587.db2.gz SEQLGACAUKLTGP-WBVHZDCISA-N 2 0 272.392 2.798 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423454442 275701447 /nfs/dbraw/zinc/70/14/47/275701447.db2.gz YZMOTFSRJYPUOL-ZOWXZIJZSA-N 2 0 252.377 2.718 20 0 CFADRP C1C([NH2+][C@H]2CCCC23CCOCC3)CC1[NH+]1CCCCC1 ZINC000334195930 275735737 /nfs/dbraw/zinc/73/57/37/275735737.db2.gz MMTJCKXTNYWXBR-JCYILVPMSA-N 2 0 292.467 2.942 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000247006179 275941248 /nfs/dbraw/zinc/94/12/48/275941248.db2.gz SWCAUDMDZCWQOV-BZUAXINKSA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CS1 ZINC000365194849 276002601 /nfs/dbraw/zinc/00/26/01/276002601.db2.gz CXJQLPWIXZTEFD-QPSCCSFWSA-N 2 0 268.470 2.733 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000247059901 276018489 /nfs/dbraw/zinc/01/84/89/276018489.db2.gz MNEZPEUEHRBEEZ-XIRDDKMYSA-N 2 0 275.440 2.894 20 0 CFADRP CCC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccn1 ZINC000423534621 276044810 /nfs/dbraw/zinc/04/48/10/276044810.db2.gz AMVDCVIXODELMQ-HNNXBMFYSA-N 2 0 259.397 2.822 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000349693286 276099995 /nfs/dbraw/zinc/09/99/95/276099995.db2.gz MWEOQTRQSXXLDT-QGZVFWFLSA-N 2 0 294.414 2.761 20 0 CFADRP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c(C)c1Cl ZINC000350286895 276115538 /nfs/dbraw/zinc/11/55/38/276115538.db2.gz MIANLXNNLYUDAL-SNVBAGLBSA-N 2 0 255.793 2.608 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000121823918 276148801 /nfs/dbraw/zinc/14/88/01/276148801.db2.gz IHPFKPCKNBDQQK-MRXNPFEDSA-N 2 0 290.455 2.509 20 0 CFADRP CC1CCC(O)(C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000156147194 276191479 /nfs/dbraw/zinc/19/14/79/276191479.db2.gz MLVDXSAMNSKJCJ-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449080772 276194790 /nfs/dbraw/zinc/19/47/90/276194790.db2.gz ZBRIVNMDPFIPFO-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133990595 276195163 /nfs/dbraw/zinc/19/51/63/276195163.db2.gz IFSRQCWAPAOFQC-MSOLQXFVSA-N 2 0 293.499 2.596 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000247219013 276196492 /nfs/dbraw/zinc/19/64/92/276196492.db2.gz XLCJZPSQAHOVRC-DLBZAZTESA-N 3 0 281.488 2.571 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000353106109 276203686 /nfs/dbraw/zinc/20/36/86/276203686.db2.gz CWNAGZBUHFGPMC-NVXWUHKLSA-N 2 0 287.451 2.717 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000453108938 276271749 /nfs/dbraw/zinc/27/17/49/276271749.db2.gz LRQYUCNSJSSSBZ-IAGOWNOFSA-N 2 0 282.472 2.782 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000358041779 276316260 /nfs/dbraw/zinc/31/62/60/276316260.db2.gz VAKNISLNIYIAKX-BBWFWOEESA-N 2 0 280.456 2.822 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccsc1 ZINC000422868983 276340320 /nfs/dbraw/zinc/34/03/20/276340320.db2.gz WLISRPQPHIJZLU-CWRNSKLLSA-N 2 0 295.496 2.848 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C12CCCC2 ZINC000085679948 276345198 /nfs/dbraw/zinc/34/51/98/276345198.db2.gz AUEDVUKOZYELIF-USXIJHARSA-N 2 0 292.467 2.798 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CC)CCOCC2)[C@@H](C)C1 ZINC000347408729 276395850 /nfs/dbraw/zinc/39/58/50/276395850.db2.gz GWBKRJKFSUPRIQ-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCOC1 ZINC000124347438 276583464 /nfs/dbraw/zinc/58/34/64/276583464.db2.gz NDYUTOWIEMDPFD-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000422947141 276677723 /nfs/dbraw/zinc/67/77/23/276677723.db2.gz PUQSMJRCEMCLHP-WFASDCNBSA-N 2 0 262.397 2.790 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423260320 276812620 /nfs/dbraw/zinc/81/26/20/276812620.db2.gz PYTFFCWLFMKCJA-MWDXBVQZSA-N 2 0 280.456 2.561 20 0 CFADRP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538796 276850071 /nfs/dbraw/zinc/85/00/71/276850071.db2.gz HEGBDHHNOOCVRO-FIDHJVLJSA-N 2 0 262.441 2.933 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000271839288 277023208 /nfs/dbraw/zinc/02/32/08/277023208.db2.gz GMCXHMBJEZVVBK-MRXNPFEDSA-N 2 0 260.356 2.665 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000227497029 277025485 /nfs/dbraw/zinc/02/54/85/277025485.db2.gz HJYJQQDQCDCAAZ-INIZCTEOSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000421825286 277026120 /nfs/dbraw/zinc/02/61/20/277026120.db2.gz MTCWVUSHTLXNDZ-QGZVFWFLSA-N 2 0 287.451 2.651 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc4c[nH]nc43)C2)CC1 ZINC000336489782 277032983 /nfs/dbraw/zinc/03/29/83/277032983.db2.gz AHWXBMUQHDNOLP-MRXNPFEDSA-N 2 0 298.434 2.727 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289578430 277060379 /nfs/dbraw/zinc/06/03/79/277060379.db2.gz WHGNZFNQXHXSSJ-MSOLQXFVSA-N 2 0 299.462 2.608 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712292 277061437 /nfs/dbraw/zinc/06/14/37/277061437.db2.gz YSSZAKYTUWQUSC-NWDGAFQWSA-N 2 0 264.335 2.745 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423363775 277083763 /nfs/dbraw/zinc/08/37/63/277083763.db2.gz AKIMNPPAUBXUJI-PJODQICGSA-N 2 0 275.396 2.566 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)[C@H]1c1ccccc1 ZINC000371723340 277134835 /nfs/dbraw/zinc/13/48/35/277134835.db2.gz JUYYFNUBLDIDBK-ZWKOTPCHSA-N 2 0 281.403 2.864 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000061588690 277152335 /nfs/dbraw/zinc/15/23/35/277152335.db2.gz OBHFKBKDSQAQEU-ZDUSSCGKSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000070358647 277152481 /nfs/dbraw/zinc/15/24/81/277152481.db2.gz DXOSLRLLGSZAIC-AWEZNQCLSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000336124973 277160536 /nfs/dbraw/zinc/16/05/36/277160536.db2.gz WGRRXSOYNPPEQQ-UONOGXRCSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000353587343 277171571 /nfs/dbraw/zinc/17/15/71/277171571.db2.gz HOUQLHSYKIGAIF-RFGFWPKPSA-N 2 0 272.383 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000377135234 277172129 /nfs/dbraw/zinc/17/21/29/277172129.db2.gz ZULHCFKRFPWMPO-XDNAFOTISA-N 2 0 294.483 2.780 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000349153868 277185466 /nfs/dbraw/zinc/18/54/66/277185466.db2.gz SXNUZXGQQDXFPO-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP COCC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000449297620 277200848 /nfs/dbraw/zinc/20/08/48/277200848.db2.gz GVKVEKRJSGXPKZ-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP COCC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000124686465 277239048 /nfs/dbraw/zinc/23/90/48/277239048.db2.gz PCLOWYWHFUIMNL-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP COC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000125991741 277262135 /nfs/dbraw/zinc/26/21/35/277262135.db2.gz QHUVPPVPYSXGIY-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH2+]CCC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000435879907 277267364 /nfs/dbraw/zinc/26/73/64/277267364.db2.gz MHSDPJCQEVXGOO-GOSISDBHSA-N 2 0 290.451 2.628 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250742969 277275557 /nfs/dbraw/zinc/27/55/57/277275557.db2.gz NFYDGVHXEZKDPD-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000423278248 277282457 /nfs/dbraw/zinc/28/24/57/277282457.db2.gz QXTNPCPVYZBFKN-BLLLJJGKSA-N 2 0 276.424 2.962 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423270328 277282980 /nfs/dbraw/zinc/28/29/80/277282980.db2.gz HSPCACOBDQDECJ-NHYWBVRUSA-N 2 0 250.361 2.648 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000430971998 277286202 /nfs/dbraw/zinc/28/62/02/277286202.db2.gz QSZFHTMBKKQVFV-FXUDXRNXSA-N 2 0 252.446 2.990 20 0 CFADRP CO[C@H](CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000423076792 277327335 /nfs/dbraw/zinc/32/73/35/277327335.db2.gz ZTZUIMOTJBPYEB-YNEHKIRRSA-N 2 0 296.377 2.854 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339065460 277332678 /nfs/dbraw/zinc/33/26/78/277332678.db2.gz CHPDVEJVJRHSGO-YESZJQIVSA-N 2 0 274.408 2.591 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000370730836 277337841 /nfs/dbraw/zinc/33/78/41/277337841.db2.gz QWSIOOCYNDZFSU-RRFJBIMHSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356848857 277386269 /nfs/dbraw/zinc/38/62/69/277386269.db2.gz PEEBUBDKDLGWLF-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423039260 277476897 /nfs/dbraw/zinc/47/68/97/277476897.db2.gz PZKLSSULPRRUMY-SLTXQBBLSA-N 2 0 268.445 2.559 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092564735 277495016 /nfs/dbraw/zinc/49/50/16/277495016.db2.gz XEPXFDHKIORSIF-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000423165754 277563850 /nfs/dbraw/zinc/56/38/50/277563850.db2.gz QFSQRVHXKAQHKD-ZIAGYGMSSA-N 2 0 256.434 2.546 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1(C)C ZINC000423054561 277693912 /nfs/dbraw/zinc/69/39/12/277693912.db2.gz UYRPYGMSEYTSNU-LJISPDSOSA-N 2 0 268.445 2.686 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414846257 277720466 /nfs/dbraw/zinc/72/04/66/277720466.db2.gz UMJJUGCLKVYXRB-BPUTZDHNSA-N 2 0 250.430 2.935 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423118039 277737300 /nfs/dbraw/zinc/73/73/00/277737300.db2.gz YOCHIBYTRBSYLW-WCVJEAGWSA-N 2 0 268.445 2.844 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422924502 277841046 /nfs/dbraw/zinc/84/10/46/277841046.db2.gz YRNBTWABYMHORV-FPCVCCKLSA-N 2 0 268.445 2.545 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423458710 277936066 /nfs/dbraw/zinc/93/60/66/277936066.db2.gz HBOXPRPMQSIQLG-GWIBLVFBSA-N 2 0 262.397 2.513 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCS2 ZINC000423243011 277988821 /nfs/dbraw/zinc/98/88/21/277988821.db2.gz GAXCRMBKJCPODZ-SWLSCSKDSA-N 2 0 292.448 2.821 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926847 278002540 /nfs/dbraw/zinc/00/25/40/278002540.db2.gz SWNAKDAVXIFKTE-XDNAFOTISA-N 3 0 295.515 2.674 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422953646 278013716 /nfs/dbraw/zinc/01/37/16/278013716.db2.gz GDORJHZLYBTUOZ-HLIUYOAVSA-N 2 0 276.424 2.733 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000334853030 278025213 /nfs/dbraw/zinc/02/52/13/278025213.db2.gz IZOCSLNMKIGUOD-OCCSQVGLSA-N 2 0 277.437 2.534 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](C)O1 ZINC000449081965 278025346 /nfs/dbraw/zinc/02/53/46/278025346.db2.gz JEUTVABDGFBBIB-JJXSEGSLSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@H](C)O1 ZINC000449081966 278025596 /nfs/dbraw/zinc/02/55/96/278025596.db2.gz JEUTVABDGFBBIB-WCVJEAGWSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000371480554 278026883 /nfs/dbraw/zinc/02/68/83/278026883.db2.gz PCTJROSUZGRWFG-VDHUWJSZSA-N 2 0 288.435 2.837 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423322095 278036550 /nfs/dbraw/zinc/03/65/50/278036550.db2.gz GXEXWZHRUWGTLQ-NVXWUHKLSA-N 2 0 274.408 2.662 20 0 CFADRP CSC1(C[NH2+][C@H](C2CC2)C2CCC2)CC[NH+](C)CC1 ZINC000453262958 278126090 /nfs/dbraw/zinc/12/60/90/278126090.db2.gz YBPDOIASTRJQSE-HNNXBMFYSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423059962 278169141 /nfs/dbraw/zinc/16/91/41/278169141.db2.gz GZAUPOGQIAQTCW-UPJWGTAASA-N 2 0 296.377 2.577 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422805576 278172918 /nfs/dbraw/zinc/17/29/18/278172918.db2.gz JNNJGBUBHGKPKI-GWCFXTLKSA-N 2 0 268.401 2.765 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCCC1 ZINC000061588845 278209369 /nfs/dbraw/zinc/20/93/69/278209369.db2.gz SICOCDAPLKYVNR-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000093515961 278215980 /nfs/dbraw/zinc/21/59/80/278215980.db2.gz NSIXCHLMSOZLPS-SJORKVTESA-N 2 0 281.488 2.763 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422865851 278216681 /nfs/dbraw/zinc/21/66/81/278216681.db2.gz POOFVHVJILQGAI-UGUYLWEFSA-N 2 0 279.472 2.512 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422847853 278226549 /nfs/dbraw/zinc/22/65/49/278226549.db2.gz SFXCTAXXZJFKRU-STQMWFEESA-N 2 0 264.388 2.963 20 0 CFADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000286973999 278240198 /nfs/dbraw/zinc/24/01/98/278240198.db2.gz IROIFSUJPORONB-BQFCYCMXSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000423348151 278256166 /nfs/dbraw/zinc/25/61/66/278256166.db2.gz RVWSYRSQCZSYBJ-NSHDSACASA-N 2 0 258.356 2.710 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000120763691 278257472 /nfs/dbraw/zinc/25/74/72/278257472.db2.gz HKVUMLQLLSZWMG-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423170688 278264785 /nfs/dbraw/zinc/26/47/85/278264785.db2.gz MROOHERNBMENET-XZDPQHSOSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423124335 278297322 /nfs/dbraw/zinc/29/73/22/278297322.db2.gz GEZGPUKRJZFQKS-RRFJBIMHSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422887240 278309374 /nfs/dbraw/zinc/30/93/74/278309374.db2.gz AQCQMNPXILYFFP-HUUCEWRRSA-N 2 0 290.455 2.533 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)C(C)C ZINC000414306394 288035268 /nfs/dbraw/zinc/03/52/68/288035268.db2.gz XULCTSCUJRBDDP-LSDHHAIUSA-N 2 0 270.461 2.634 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CCC([NH3+])CC2)c2cc(N)ccc2O1 ZINC000332280175 278368722 /nfs/dbraw/zinc/36/87/22/278368722.db2.gz JITLYGYQSAMXHZ-ABIUDSBCSA-N 2 0 289.423 2.731 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423272678 533690655 /nfs/dbraw/zinc/69/06/55/533690655.db2.gz KAVXAHDSRICWTP-IIAWOOMASA-N 2 0 289.423 2.511 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000192454651 278459887 /nfs/dbraw/zinc/45/98/87/278459887.db2.gz BXHNQSQRAZHEKK-YJBOKZPZSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC[NH3+])c2cccc(Br)c21 ZINC000423177194 278497619 /nfs/dbraw/zinc/49/76/19/278497619.db2.gz IIEPMDVZRFOURU-CABZTGNLSA-N 2 0 283.213 2.936 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423077052 278561903 /nfs/dbraw/zinc/56/19/03/278561903.db2.gz LFHALNDAIQKZRO-NRSFXHEJSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423447596 278580453 /nfs/dbraw/zinc/58/04/53/278580453.db2.gz ZQROTEVYONSFNL-HUHANWACSA-N 2 0 250.430 2.789 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000422763360 288059202 /nfs/dbraw/zinc/05/92/02/288059202.db2.gz NIPVVZUMCDSXAT-HUBLWGQQSA-N 2 0 250.386 2.862 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000340229556 278782233 /nfs/dbraw/zinc/78/22/33/278782233.db2.gz YLWJTBCQFWPVAF-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000422860569 288076567 /nfs/dbraw/zinc/07/65/67/288076567.db2.gz LPCWMEIBGYTXNR-YGRLFVJLSA-N 2 0 252.789 2.989 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000493788884 278805379 /nfs/dbraw/zinc/80/53/79/278805379.db2.gz DVWMBNFWAYEWCA-BRWVUGGUSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250554576 278922382 /nfs/dbraw/zinc/92/23/82/278922382.db2.gz BGISGGYGONRUKB-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CC[NH2+]1 ZINC000335485277 278987313 /nfs/dbraw/zinc/98/73/13/278987313.db2.gz ZCBFFCMBWFGLCD-CXAGYDPISA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000335499470 279014584 /nfs/dbraw/zinc/01/45/84/279014584.db2.gz GPEBJSUAEKEGOG-BZNIZROVSA-N 2 0 260.356 2.568 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420307589 279016540 /nfs/dbraw/zinc/01/65/40/279016540.db2.gz RMLPZIIQGMBXSU-HUUCEWRRSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247219618 279022172 /nfs/dbraw/zinc/02/21/72/279022172.db2.gz XOJFXTBFMPHNJD-HBUWYVDXSA-N 2 0 270.420 2.994 20 0 CFADRP Cc1cnn(C)c1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352768406 279031961 /nfs/dbraw/zinc/03/19/61/279031961.db2.gz FIEASPPGWYNIID-HUUCEWRRSA-N 2 0 292.471 2.576 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423041953 279059535 /nfs/dbraw/zinc/05/95/35/279059535.db2.gz JZAQQZIZBURDJP-QDIHITRGSA-N 2 0 268.445 2.687 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@H]1CCC[C@@H]1C ZINC000338355413 279094031 /nfs/dbraw/zinc/09/40/31/279094031.db2.gz JKEDWECXQLCFLJ-HOTGVXAUSA-N 2 0 270.461 2.855 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124761 279094079 /nfs/dbraw/zinc/09/40/79/279094079.db2.gz NGYGSYJQQWQPLC-USXIJHARSA-N 2 0 282.472 2.887 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124760 279094256 /nfs/dbraw/zinc/09/42/56/279094256.db2.gz NGYGSYJQQWQPLC-UAGQMJEPSA-N 2 0 282.472 2.887 20 0 CFADRP CC[NH+](CC)CCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000191793673 279094587 /nfs/dbraw/zinc/09/45/87/279094587.db2.gz CXPDKKCSKWISOE-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366849677 279095752 /nfs/dbraw/zinc/09/57/52/279095752.db2.gz ITARMKARWLSDFL-ROUUACIJSA-N 2 0 295.515 2.769 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cscn1 ZINC000040420426 279101280 /nfs/dbraw/zinc/10/12/80/279101280.db2.gz RMZJABCXDYAAEL-GFCCVEGCSA-N 2 0 255.431 2.743 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000350262411 279110856 /nfs/dbraw/zinc/11/08/56/279110856.db2.gz ZIQXURNWIOJIPX-CVEARBPZSA-N 2 0 266.429 2.528 20 0 CFADRP CC(C)C[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162854359 279111695 /nfs/dbraw/zinc/11/16/95/279111695.db2.gz WKOZJMDEELLOKR-HRCADAONSA-N 2 0 270.461 2.900 20 0 CFADRP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000334219765 279117848 /nfs/dbraw/zinc/11/78/48/279117848.db2.gz ZXVZLUULUAIPPC-TZMCWYRMSA-N 2 0 279.453 2.760 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000353525070 279120772 /nfs/dbraw/zinc/12/07/72/279120772.db2.gz FNMLZVSWCDWUOU-OTBWCIGPSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249124141 279124703 /nfs/dbraw/zinc/12/47/03/279124703.db2.gz TZKYJWNCLJTXGL-DOTOQJQBSA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c1 ZINC000343576947 279138187 /nfs/dbraw/zinc/13/81/87/279138187.db2.gz TWOCAWPWDHTWLT-CRAIPNDOSA-N 2 0 289.467 2.568 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000368291974 279139160 /nfs/dbraw/zinc/13/91/60/279139160.db2.gz SRSTXIHQRWJMEJ-BKQFBDTOSA-N 2 0 288.435 2.869 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCSc3ccccc32)CC[NH2+]C1 ZINC000334658741 279162392 /nfs/dbraw/zinc/16/23/92/279162392.db2.gz LCNHOQGZZFLAEM-UKRRQHHQSA-N 2 0 262.422 2.813 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423129121 279162958 /nfs/dbraw/zinc/16/29/58/279162958.db2.gz DRCQNMQIAUPBPM-ULQDDVLXSA-N 2 0 258.409 2.912 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000414690633 279179325 /nfs/dbraw/zinc/17/93/25/279179325.db2.gz NEDVMCKGIDXQEX-KURKYZTESA-N 2 0 295.515 2.946 20 0 CFADRP C[C@H](C1C[NH2+]C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422963495 279243474 /nfs/dbraw/zinc/24/34/74/279243474.db2.gz FZLYZSDPOPWJIY-CQSZACIVSA-N 2 0 258.409 2.549 20 0 CFADRP C[C@H](CCO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286052949 279269531 /nfs/dbraw/zinc/26/95/31/279269531.db2.gz LBUUIACURZUKIF-FAEJEUNOSA-N 2 0 290.451 2.790 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000353243218 279355458 /nfs/dbraw/zinc/35/54/58/279355458.db2.gz LJZALYGPTGDGPV-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)CC1CCCC1 ZINC000423025241 279367836 /nfs/dbraw/zinc/36/78/36/279367836.db2.gz NRYZZENHKOOIAH-PVAVHDDUSA-N 2 0 282.472 2.828 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CSCCS1 ZINC000253019978 279371561 /nfs/dbraw/zinc/37/15/61/279371561.db2.gz JMQHXZKSHCPLCE-MCIONIFRSA-N 2 0 288.526 2.735 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000415067994 279440980 /nfs/dbraw/zinc/44/09/80/279440980.db2.gz LXDPRPYGBJMBGS-CMPLNLGQSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000422815034 279476251 /nfs/dbraw/zinc/47/62/51/279476251.db2.gz AOAKNXWATTXSJQ-ZDEQEGDKSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nccc2ccccc21 ZINC000423206566 279484629 /nfs/dbraw/zinc/48/46/29/279484629.db2.gz GDOVQMKCEYLJSC-KBPBESRZSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423212626 279510007 /nfs/dbraw/zinc/51/00/07/279510007.db2.gz ISOICDCBMWHGCC-DXCKQFNASA-N 2 0 274.408 2.747 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2)C[C@H](C)O1 ZINC000237668909 288160353 /nfs/dbraw/zinc/16/03/53/288160353.db2.gz OUYQHQJJMFYNQF-IYBDPMFKSA-N 2 0 276.424 2.666 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124653274 279823770 /nfs/dbraw/zinc/82/37/70/279823770.db2.gz XWYTUZKRBWIRDH-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423257385 279906101 /nfs/dbraw/zinc/90/61/01/279906101.db2.gz JCRMWRPVRWPISS-XJKSGUPXSA-N 2 0 279.403 2.897 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000365807541 279934226 /nfs/dbraw/zinc/93/42/26/279934226.db2.gz VIYATIZFYQMUJJ-IRXDYDNUSA-N 2 0 292.467 2.798 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000422925550 279964661 /nfs/dbraw/zinc/96/46/61/279964661.db2.gz AZZWTFDRWDCKBS-GUTXKFCHSA-N 2 0 292.423 2.743 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420307590 280028337 /nfs/dbraw/zinc/02/83/37/280028337.db2.gz RMLPZIIQGMBXSU-LSDHHAIUSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423452969 280034165 /nfs/dbraw/zinc/03/41/65/280034165.db2.gz ZTGXSOLKYNJRSZ-DUOKCRBOSA-N 2 0 270.420 2.898 20 0 CFADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422829243 280047216 /nfs/dbraw/zinc/04/72/16/280047216.db2.gz BOAZJPPNVUBHFJ-REWJHTLYSA-N 2 0 256.459 2.781 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422822027 280051237 /nfs/dbraw/zinc/05/12/37/280051237.db2.gz ZNWSDCYFEMDGJP-XJFOESAGSA-N 2 0 256.459 2.768 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346979918 280056252 /nfs/dbraw/zinc/05/62/52/280056252.db2.gz OJMBAEKNEKAPOT-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422922273 280083292 /nfs/dbraw/zinc/08/32/92/280083292.db2.gz SMBMXXAUSZJZCT-ICUGJSFKSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422925122 280083430 /nfs/dbraw/zinc/08/34/30/280083430.db2.gz ZSOSXEQQSHZTPC-UGUYLWEFSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCc2ccccc21 ZINC000423014984 280157966 /nfs/dbraw/zinc/15/79/66/280157966.db2.gz JTIKODSLTORDAE-GVDBMIGSSA-N 2 0 258.409 2.750 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCOC1 ZINC000124330979 280184223 /nfs/dbraw/zinc/18/42/23/280184223.db2.gz ZNPWCHXZGDPSTF-DZGCQCFKSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000423468147 280326294 /nfs/dbraw/zinc/32/62/94/280326294.db2.gz JLLGKKNIKCFRIK-BMFZPTHFSA-N 2 0 261.413 2.886 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423472130 533691441 /nfs/dbraw/zinc/69/14/41/533691441.db2.gz XMNLFCRSZUFGDN-KFWWJZLASA-N 2 0 289.423 2.511 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000070358648 280560619 /nfs/dbraw/zinc/56/06/19/280560619.db2.gz OBEKNFKHQRWUPW-HUUCEWRRSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000368051265 288247785 /nfs/dbraw/zinc/24/77/85/288247785.db2.gz LNMNRGYFCMHUGW-NVXWUHKLSA-N 2 0 293.499 2.665 20 0 CFADRP Cc1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c2ccccc2[nH+]1 ZINC000362670927 280585871 /nfs/dbraw/zinc/58/58/71/280585871.db2.gz XBCAZLXYMDAOEF-KBPBESRZSA-N 2 0 267.376 2.541 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000138094617 280789795 /nfs/dbraw/zinc/78/97/95/280789795.db2.gz DIMAFSIKKOERAP-ZACQAIPSSA-N 2 0 292.471 2.619 20 0 CFADRP CC[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)[NH+]1CCCC1 ZINC000422962539 280838545 /nfs/dbraw/zinc/83/85/45/280838545.db2.gz GANQGRVAJFSLLD-IXDOHACOSA-N 2 0 281.488 2.761 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@@H]1CCOC1 ZINC000131218367 280930768 /nfs/dbraw/zinc/93/07/68/280930768.db2.gz MQGINPAGXSXGNP-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000161788675 280935505 /nfs/dbraw/zinc/93/55/05/280935505.db2.gz HLQOKOJPDLPEOD-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000247077615 281004648 /nfs/dbraw/zinc/00/46/48/281004648.db2.gz OQXBRGPFMAOYAF-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000247231224 281007193 /nfs/dbraw/zinc/00/71/93/281007193.db2.gz YHUNMIOACKNDMM-RYQLBKOJSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247222490 281007221 /nfs/dbraw/zinc/00/72/21/281007221.db2.gz XUKNZKYMCZRVTK-ZWKOTPCHSA-N 3 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2scnc2C)[C@@H](C)C1 ZINC000247239973 281008325 /nfs/dbraw/zinc/00/83/25/281008325.db2.gz SXLOZUYTUZQDPN-GXTWGEPZSA-N 2 0 281.469 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000248119429 281018449 /nfs/dbraw/zinc/01/84/49/281018449.db2.gz NDVWVWVASMOKNN-LRDDRELGSA-N 2 0 262.372 2.744 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587606 281027255 /nfs/dbraw/zinc/02/72/55/281027255.db2.gz QJEJMELGUYMWEN-ZMSDIMECSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248874030 281038336 /nfs/dbraw/zinc/03/83/36/281038336.db2.gz PXRLNHKBVQZRPF-PMPSAXMXSA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000248890645 281039937 /nfs/dbraw/zinc/03/99/37/281039937.db2.gz WDBXZCZIXIBCKT-BRWVUGGUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000249104460 281048488 /nfs/dbraw/zinc/04/84/88/281048488.db2.gz OWHNLKLEZBAHNP-ILXRZTDVSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@H+](C/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000249990534 281068886 /nfs/dbraw/zinc/06/88/86/281068886.db2.gz NXRJVKWGEFJXEN-DRVKOEHTSA-N 2 0 256.393 2.915 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000181746094 281069551 /nfs/dbraw/zinc/06/95/51/281069551.db2.gz GRYIZVGWHKNKSB-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525324 281115262 /nfs/dbraw/zinc/11/52/62/281115262.db2.gz KJROGKRYQJNFFB-RWUOKQAASA-N 2 0 262.441 2.918 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423556767 281124072 /nfs/dbraw/zinc/12/40/72/281124072.db2.gz ZCVPWDHELNTWMQ-YFHUEUNASA-N 2 0 270.420 2.960 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000296259438 281142713 /nfs/dbraw/zinc/14/27/13/281142713.db2.gz DFEBQTNSAOAYMF-XYVMCAHJSA-N 2 0 290.451 2.562 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000396989083 281200445 /nfs/dbraw/zinc/20/04/45/281200445.db2.gz BEHYDJSSLAATNE-NNYUYHANSA-N 2 0 266.351 2.893 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000396989084 281200451 /nfs/dbraw/zinc/20/04/51/281200451.db2.gz BEHYDJSSLAATNE-WHOHXGKFSA-N 2 0 266.351 2.893 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398128148 281204065 /nfs/dbraw/zinc/20/40/65/281204065.db2.gz ICOPAQLHYHJVDT-NWDGAFQWSA-N 2 0 264.360 2.516 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422929420 281222647 /nfs/dbraw/zinc/22/26/47/281222647.db2.gz PYEUIXINFSUPKP-HRCADAONSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423011663 281223111 /nfs/dbraw/zinc/22/31/11/281223111.db2.gz BKCJXTNKKNFJSK-LNHVQRHZSA-N 2 0 298.789 2.507 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000423010647 281223115 /nfs/dbraw/zinc/22/31/15/281223115.db2.gz YEDBCDIXQRTDKU-HOTGVXAUSA-N 2 0 269.477 2.602 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCC2 ZINC000424373522 281227471 /nfs/dbraw/zinc/22/74/71/281227471.db2.gz JOLPKMZTFBSVEO-IXDOHACOSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424372929 281227532 /nfs/dbraw/zinc/22/75/32/281227532.db2.gz IWJOSVCYOWHRJT-ISWURRPUSA-N 2 0 258.409 2.723 20 0 CFADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000459369652 281258279 /nfs/dbraw/zinc/25/82/79/281258279.db2.gz QQMBTSQREYIZDV-SFHVURJKSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)OC1CC([NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000459376256 281259175 /nfs/dbraw/zinc/25/91/75/281259175.db2.gz RRJYBSLAXXEDJQ-UHFFFAOYSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@H+]1C[C@@H](C)N(C[C@H]2CCCC[NH+]2C(C)C)[C@@H](C)C1 ZINC000459451462 281265321 /nfs/dbraw/zinc/26/53/21/281265321.db2.gz BJLNPRMCMMSGOY-IXDOHACOSA-N 2 0 281.488 2.664 20 0 CFADRP Cc1cncc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459456727 281265832 /nfs/dbraw/zinc/26/58/32/281265832.db2.gz PKQFZEVRLYIGGU-UHFFFAOYSA-N 2 0 282.391 2.544 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000515634257 281296670 /nfs/dbraw/zinc/29/66/70/281296670.db2.gz VDYFGABQUJHVKA-HNNXBMFYSA-N 2 0 282.815 2.617 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000515711788 281296943 /nfs/dbraw/zinc/29/69/43/281296943.db2.gz AMVPORNZGBZRQC-FVQBIDKESA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000518396560 281308271 /nfs/dbraw/zinc/30/82/71/281308271.db2.gz IDFYZUGNSBAVPI-SQNIBIBYSA-N 2 0 283.419 2.699 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000157654180 281334394 /nfs/dbraw/zinc/33/43/94/281334394.db2.gz OYTGVMVAECODDN-RDJZCZTQSA-N 2 0 272.436 2.956 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)CN1CCOCC1 ZINC000527529222 281334865 /nfs/dbraw/zinc/33/48/65/281334865.db2.gz FLLVYQDYGOJKRL-ZDUSSCGKSA-N 2 0 298.377 2.682 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527642836 281336383 /nfs/dbraw/zinc/33/63/83/281336383.db2.gz WDZURSFBYSUHBQ-DQYPLSBCSA-N 2 0 262.441 2.885 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C2CC2)cn1 ZINC000528851816 281353845 /nfs/dbraw/zinc/35/38/45/281353845.db2.gz MDDZKOBLZLMTBM-WBVHZDCISA-N 2 0 289.423 2.615 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420294895 281366380 /nfs/dbraw/zinc/36/63/80/281366380.db2.gz BLOQRWXELLXZKX-JKSUJKDBSA-N 2 0 258.409 2.784 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000541554011 281606172 /nfs/dbraw/zinc/60/61/72/281606172.db2.gz VAZIYVGEYPWYIH-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000541742314 281610255 /nfs/dbraw/zinc/61/02/55/281610255.db2.gz UAOGOBXEDGTVDZ-WLYUNCDWSA-N 2 0 298.471 2.817 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CCOCC1 ZINC000542810969 281634047 /nfs/dbraw/zinc/63/40/47/281634047.db2.gz BHRRUDHJMIPGCX-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422972311 281721413 /nfs/dbraw/zinc/72/14/13/281721413.db2.gz KZMPAASFKOTQHW-GADNRMJZSA-N 2 0 280.456 2.559 20 0 CFADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC1CCCC1 ZINC000547395807 281736409 /nfs/dbraw/zinc/73/64/09/281736409.db2.gz GYJMIEUHNCPCKK-KRWDZBQOSA-N 2 0 294.483 2.639 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000558151882 281977632 /nfs/dbraw/zinc/97/76/32/281977632.db2.gz DIJXFCDSSHLGDU-YESZJQIVSA-N 2 0 283.504 2.674 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000558699532 281992158 /nfs/dbraw/zinc/99/21/58/281992158.db2.gz OPLGGAYPQKCJKA-SJORKVTESA-N 2 0 299.478 2.522 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1COc2ccccc2C1)C(C)(C)C ZINC000559767365 282009392 /nfs/dbraw/zinc/00/93/92/282009392.db2.gz RZHQDOGOKVDHLC-DOTOQJQBSA-N 2 0 290.451 2.946 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1COc2ccccc2C1)C(C)(C)C ZINC000559767367 282009574 /nfs/dbraw/zinc/00/95/74/282009574.db2.gz RZHQDOGOKVDHLC-RDJZCZTQSA-N 2 0 290.451 2.946 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000560545824 282033547 /nfs/dbraw/zinc/03/35/47/282033547.db2.gz XDCURSSEPGSPKE-KZNAEPCWSA-N 2 0 272.436 3.000 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000560908378 282043297 /nfs/dbraw/zinc/04/32/97/282043297.db2.gz GKQHWFOXZVUPCV-MMADZMRASA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420309494 288393541 /nfs/dbraw/zinc/39/35/41/288393541.db2.gz UAPAZCJWJLXWLY-RYRKJORJSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H](c2ccccc2)C(C)(C)CO)CC[NH2+]1 ZINC000415111978 288699277 /nfs/dbraw/zinc/69/92/77/288699277.db2.gz VCPPTVPNCAIHOY-BFYDXBDKSA-N 2 0 290.451 2.724 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058878 292688369 /nfs/dbraw/zinc/68/83/69/292688369.db2.gz KMVJAMDYHLZATG-LAQRGFTBSA-N 2 0 289.467 2.716 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1 ZINC000194176712 289095033 /nfs/dbraw/zinc/09/50/33/289095033.db2.gz RSWJCNKYHOYFLK-OWCLPIDISA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@]1(C[NH2+]C2CCC3(CCOCC3)CC2)CCC[NH2+]C1 ZINC000334875828 289173619 /nfs/dbraw/zinc/17/36/19/289173619.db2.gz UBBDSDCRQAFRPS-MRXNPFEDSA-N 2 0 280.456 2.705 20 0 CFADRP C[C@@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[NH2+]C1 ZINC000415090948 289173649 /nfs/dbraw/zinc/17/36/49/289173649.db2.gz ZXNSONOBWPGABJ-HTAVTVPLSA-N 2 0 264.335 2.697 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449167459 289309400 /nfs/dbraw/zinc/30/94/00/289309400.db2.gz ALOLUFCMEIECAB-SOUVJXGZSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCC(C)(C)C ZINC000337174471 289323743 /nfs/dbraw/zinc/32/37/43/289323743.db2.gz HFZOLLYFQFDXAD-OAGGEKHMSA-N 2 0 282.472 2.996 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422706093 289364778 /nfs/dbraw/zinc/36/47/78/289364778.db2.gz DISYGIWRWHNXGO-GVDBMIGSSA-N 2 0 293.430 2.678 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1cccs1 ZINC000422753815 289366041 /nfs/dbraw/zinc/36/60/41/289366041.db2.gz GNHJLKHNDMHVMT-MELADBBJSA-N 2 0 281.469 2.600 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537019 289445339 /nfs/dbraw/zinc/44/53/39/289445339.db2.gz BQLNLPOBMIZDCN-SLBVQIDZSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000423124964 289464499 /nfs/dbraw/zinc/46/44/99/289464499.db2.gz POENIOFLVROCSE-RHSMWYFYSA-N 2 0 288.435 2.798 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000414789830 533692622 /nfs/dbraw/zinc/69/26/22/533692622.db2.gz FVEQYIXMVNHNQW-DGCLKSJQSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H](C[NH2+]C1CCSCC1)C[NH+]1CCCCC1 ZINC000037997631 289687190 /nfs/dbraw/zinc/68/71/90/289687190.db2.gz HPFCHMYAGJLYKV-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000154437820 289894952 /nfs/dbraw/zinc/89/49/52/289894952.db2.gz IFCVIYUDZOUNAC-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000423206395 290012074 /nfs/dbraw/zinc/01/20/74/290012074.db2.gz BZYPFOASFUINOL-QUSNUVHPSA-N 2 0 280.456 2.559 20 0 CFADRP CCn1ccnc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789670 290014527 /nfs/dbraw/zinc/01/45/27/290014527.db2.gz HIXMIYBHPKMREH-KRWDZBQOSA-N 2 0 298.434 2.515 20 0 CFADRP FC1(F)CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000405043733 290029020 /nfs/dbraw/zinc/02/90/20/290029020.db2.gz YAPIKWKJXIFFTI-UHFFFAOYSA-N 2 0 266.335 2.563 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CCSCC1 ZINC000423269863 290043163 /nfs/dbraw/zinc/04/31/63/290043163.db2.gz FZWKXDNVVOPBOG-YUTCNCBUSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@H]([NH2+][C@H]1COC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990000 290059748 /nfs/dbraw/zinc/05/97/48/290059748.db2.gz UFXWRWHYPDLLAA-SOUVJXGZSA-N 2 0 280.456 2.797 20 0 CFADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000562955554 290085133 /nfs/dbraw/zinc/08/51/33/290085133.db2.gz BUJSKAWLVBLLKF-DOTOQJQBSA-N 2 0 273.424 2.697 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956166 290085136 /nfs/dbraw/zinc/08/51/36/290085136.db2.gz HTLYSZVDWOFRMU-BDJLRTHQSA-N 2 0 262.372 2.648 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956170 290085710 /nfs/dbraw/zinc/08/57/10/290085710.db2.gz HTLYSZVDWOFRMU-MEDUHNTESA-N 2 0 262.372 2.648 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000562958933 290085892 /nfs/dbraw/zinc/08/58/92/290085892.db2.gz BPUJCQZBVZKIPI-YJBOKZPZSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000562958668 290085899 /nfs/dbraw/zinc/08/58/99/290085899.db2.gz KJDNTSKFWVVAJE-CHWSQXEVSA-N 2 0 289.423 2.739 20 0 CFADRP [NH3+]Cc1ccc(CNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000563154186 290110106 /nfs/dbraw/zinc/11/01/06/290110106.db2.gz RMANPZCHWUBEJZ-UHFFFAOYSA-N 2 0 287.451 2.642 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000563232450 290121858 /nfs/dbraw/zinc/12/18/58/290121858.db2.gz YLIIFQJKZBQORN-UHFFFAOYSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000341306332 290140734 /nfs/dbraw/zinc/14/07/34/290140734.db2.gz RMQCMNCZUQTPAM-AESZEHBQSA-N 2 0 282.472 2.779 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563423134 290148649 /nfs/dbraw/zinc/14/86/49/290148649.db2.gz CVDQSEDVXNKXIP-HOTGVXAUSA-N 2 0 262.397 2.583 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000563442432 290152540 /nfs/dbraw/zinc/15/25/40/290152540.db2.gz ITQCQJZVTSGVHX-BRWVUGGUSA-N 2 0 292.467 2.677 20 0 CFADRP CC(C)[NH+](CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])C(C)C ZINC000563955493 290186707 /nfs/dbraw/zinc/18/67/07/290186707.db2.gz HVDJMIVUCWEAIS-WBVHZDCISA-N 2 0 297.487 2.519 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000564416132 290207980 /nfs/dbraw/zinc/20/79/80/290207980.db2.gz YUOYEEYONQWEFS-FUHWJXTLSA-N 2 0 293.499 2.596 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000564530326 290213337 /nfs/dbraw/zinc/21/33/37/290213337.db2.gz CYJARUCQOQNSPI-CYBMUJFWSA-N 2 0 272.383 2.886 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000453311568 290219819 /nfs/dbraw/zinc/21/98/19/290219819.db2.gz GNAAODZQNLJADU-LTIDMASMSA-N 2 0 292.467 2.798 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000564821940 290235879 /nfs/dbraw/zinc/23/58/79/290235879.db2.gz YLOBXXSBTMBLIK-AWEZNQCLSA-N 2 0 264.413 2.604 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000564824770 290237179 /nfs/dbraw/zinc/23/71/79/290237179.db2.gz YQVZZQWYTQEHJK-QZTJIDSGSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000564827447 290237962 /nfs/dbraw/zinc/23/79/62/290237962.db2.gz DHDKYMOVMFJFCD-CYBMUJFWSA-N 2 0 299.418 2.532 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000564827950 290238112 /nfs/dbraw/zinc/23/81/12/290238112.db2.gz CWWRRXWZGDJDDD-MJBXVCDLSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169443 290248795 /nfs/dbraw/zinc/24/87/95/290248795.db2.gz KMZRULDOQSTQAI-CHWSQXEVSA-N 2 0 250.361 2.948 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564986864 290255420 /nfs/dbraw/zinc/25/54/20/290255420.db2.gz IZWZXVBWVBJPTF-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC000565769067 290323386 /nfs/dbraw/zinc/32/33/86/290323386.db2.gz FKAKKBKLTUGZID-RDJZCZTQSA-N 2 0 262.441 2.887 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565834234 290328459 /nfs/dbraw/zinc/32/84/59/290328459.db2.gz BBHHPGPGZYFDDO-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566089422 290347298 /nfs/dbraw/zinc/34/72/98/290347298.db2.gz RPMVBARWTTYEGD-WFASDCNBSA-N 2 0 298.377 2.808 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000566411155 290380559 /nfs/dbraw/zinc/38/05/59/290380559.db2.gz ACQQZQHIFNHSMF-UKRRQHHQSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193949593 290387115 /nfs/dbraw/zinc/38/71/15/290387115.db2.gz PYLAKOOUPREYBA-YLFCFFPRSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414696142 290390528 /nfs/dbraw/zinc/39/05/28/290390528.db2.gz VJPAOGOGNPTPJZ-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000566473601 290390776 /nfs/dbraw/zinc/39/07/76/290390776.db2.gz JZYVVBBSSRYOMY-KBPBESRZSA-N 2 0 289.423 2.607 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(O)CCCC2)C1 ZINC000336840848 290392031 /nfs/dbraw/zinc/39/20/31/290392031.db2.gz NNCQLURMBLNPLA-IRXDYDNUSA-N 2 0 294.483 2.878 20 0 CFADRP CCc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000566481749 290393114 /nfs/dbraw/zinc/39/31/14/290393114.db2.gz JWOBXWBMBJKQKJ-BZSNNMDCSA-N 2 0 289.467 2.711 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000566484016 290393989 /nfs/dbraw/zinc/39/39/89/290393989.db2.gz ZEDIUUXNZDMTIJ-NILFDRSVSA-N 2 0 280.387 2.625 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000567102477 290438385 /nfs/dbraw/zinc/43/83/85/290438385.db2.gz DZOAEVOYQZJLQC-INIZCTEOSA-N 2 0 276.449 2.606 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000422821153 293098395 /nfs/dbraw/zinc/09/83/95/293098395.db2.gz UOYHHBSJOVRMOL-RDBSUJKOSA-N 2 0 256.434 2.545 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000415086649 294459965 /nfs/dbraw/zinc/45/99/65/294459965.db2.gz SIOWGSNDANUGPK-UHOFOFEASA-N 2 0 280.387 2.633 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254713 294750906 /nfs/dbraw/zinc/75/09/06/294750906.db2.gz ZGQYSOVCTJTNHO-WFASDCNBSA-N 2 0 278.371 2.629 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423272716 295035853 /nfs/dbraw/zinc/03/58/53/295035853.db2.gz IJLBIQGISRPPMD-MAZHCROVSA-N 2 0 292.398 2.929 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000422714515 295224128 /nfs/dbraw/zinc/22/41/28/295224128.db2.gz KYKIAPJIROPDDZ-UHFFFAOYSA-N 3 0 281.488 2.750 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422784420 295245449 /nfs/dbraw/zinc/24/54/49/295245449.db2.gz MAZTVOWQBZNESG-BLLLJJGKSA-N 2 0 262.397 2.590 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000228353869 295257112 /nfs/dbraw/zinc/25/71/12/295257112.db2.gz RABLQRQQVBTCGN-RCCFBDPRSA-N 2 0 287.451 2.541 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423044875 295258528 /nfs/dbraw/zinc/25/85/28/295258528.db2.gz BYZMFYDQQYWNME-HDMKZQKVSA-N 2 0 288.435 2.832 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000423417443 295275472 /nfs/dbraw/zinc/27/54/72/295275472.db2.gz FLCKCFKWLWHQOP-DUQPFJRNSA-N 2 0 294.483 2.936 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000422906015 295307200 /nfs/dbraw/zinc/30/72/00/295307200.db2.gz TYUQECWBXNFCDM-VVLHAWIVSA-N 2 0 274.408 2.624 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000422699607 295324210 /nfs/dbraw/zinc/32/42/10/295324210.db2.gz ASKVBRATYKNDPC-QZTJIDSGSA-N 2 0 285.435 2.595 20 0 CFADRP COc1cccc([C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000104131612 295324521 /nfs/dbraw/zinc/32/45/21/295324521.db2.gz WEMSPKGKBUCTCX-OLZOCXBDSA-N 2 0 262.397 2.815 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537599 295337626 /nfs/dbraw/zinc/33/76/26/295337626.db2.gz DGFYRZWSTWSOML-WBOJAVRRSA-N 2 0 286.419 2.660 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000230285510 295359642 /nfs/dbraw/zinc/35/96/42/295359642.db2.gz DORRTRKEYIDMSH-BBWFWOEESA-N 2 0 288.435 2.748 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554182 295363433 /nfs/dbraw/zinc/36/34/33/295363433.db2.gz VTONOQYTBJGWJY-UONOGXRCSA-N 2 0 264.413 2.556 20 0 CFADRP CSC1(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000306057656 295581716 /nfs/dbraw/zinc/58/17/16/295581716.db2.gz VKKBVSKDULXCRR-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)CC[NH2+]1 ZINC000414748738 297251314 /nfs/dbraw/zinc/25/13/14/297251314.db2.gz OTTPTLFYFFMGSZ-MTZPMYSUSA-N 2 0 262.441 2.885 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@@H]1C ZINC000495079771 297440896 /nfs/dbraw/zinc/44/08/96/297440896.db2.gz BAAUMMRYJSEVHU-ZACQAIPSSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CSc2ccccc21 ZINC000422750932 298393010 /nfs/dbraw/zinc/39/30/10/298393010.db2.gz AQJIZJRRIBVCRN-YPMHNXCESA-N 2 0 250.411 2.941 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422963771 298398787 /nfs/dbraw/zinc/39/87/87/298398787.db2.gz JLPWQDAIQOZZPX-CABCVRRESA-N 2 0 279.428 2.524 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000423101556 298398991 /nfs/dbraw/zinc/39/89/91/298398991.db2.gz NMUVLFDYYOKDSL-MRXNPFEDSA-N 2 0 281.488 2.750 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000193984009 298793522 /nfs/dbraw/zinc/79/35/22/298793522.db2.gz YPUJTMMUKYZWSL-WCXIOVBPSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(O)cc1 ZINC000093515953 298876212 /nfs/dbraw/zinc/87/62/12/298876212.db2.gz ZRGHHCUSHHMEHW-ZBFHGGJFSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226346300 298876226 /nfs/dbraw/zinc/87/62/26/298876226.db2.gz JTZIHKHROGJIJC-CVEARBPZSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423050301 298886244 /nfs/dbraw/zinc/88/62/44/298886244.db2.gz YXAOIGCKUWCEED-WDMOLILDSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000423289121 299004419 /nfs/dbraw/zinc/00/44/19/299004419.db2.gz AIUPVYHLPDQLNF-NKKGCODLSA-N 2 0 286.419 2.754 20 0 CFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)C[NH3+])CCCO2 ZINC000423300432 301443824 /nfs/dbraw/zinc/44/38/24/301443824.db2.gz RPKCHIAJLPPRLG-NHYWBVRUSA-N 2 0 262.397 2.702 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422714353 301539267 /nfs/dbraw/zinc/53/92/67/301539267.db2.gz QYHVGUIDMKBABV-HYVNUMGLSA-N 2 0 290.451 2.615 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423400176 301892981 /nfs/dbraw/zinc/89/29/81/301892981.db2.gz PZJXLOWCKJMRHK-BMFZPTHFSA-N 2 0 274.408 2.796 20 0 CFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000423005452 302324936 /nfs/dbraw/zinc/32/49/36/302324936.db2.gz MBBPPCFXDSQHBG-RRQGHBQHSA-N 2 0 296.418 2.803 20 0 CFADRP FC(F)(F)CCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420305260 303112525 /nfs/dbraw/zinc/11/25/25/303112525.db2.gz JYCYMWAMIRSTCW-UHFFFAOYSA-N 2 0 264.335 2.795 20 0 CFADRP FC(F)C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423539012 303122112 /nfs/dbraw/zinc/12/21/12/303122112.db2.gz HNYZYWUPNNUQCI-OONHEIRLSA-N 2 0 272.383 2.788 20 0 CFADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000415095048 303131413 /nfs/dbraw/zinc/13/14/13/303131413.db2.gz YRYDXUWKYYSLTJ-RCBQFDQVSA-N 2 0 296.361 2.527 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000333336894 303362058 /nfs/dbraw/zinc/36/20/58/303362058.db2.gz XFOQMJYYIGGMRU-SEEARECTSA-N 2 0 259.397 2.793 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000335500805 303362454 /nfs/dbraw/zinc/36/24/54/303362454.db2.gz QMUHIWMAKBUNKJ-XUJLQICISA-N 2 0 276.449 2.877 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423338133 303375824 /nfs/dbraw/zinc/37/58/24/303375824.db2.gz VRKRYKWHSILZIY-CYBMUJFWSA-N 2 0 268.788 2.882 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000309996014 303389528 /nfs/dbraw/zinc/38/95/28/303389528.db2.gz BSSLDXSUWINDEF-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422815756 303408410 /nfs/dbraw/zinc/40/84/10/303408410.db2.gz YIOPVOMLISVHPC-GOEBONIOSA-N 2 0 258.409 2.825 20 0 CFADRP c1ccc(CN2CC(C[NH2+]C3CCSCC3)C2)cc1 ZINC000716252921 782069001 /nfs/dbraw/zinc/06/90/01/782069001.db2.gz LZBHUAGOEUTBIV-UHFFFAOYSA-N 2 0 276.449 2.604 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Br ZINC000414835501 533704102 /nfs/dbraw/zinc/70/41/02/533704102.db2.gz UHYOSYJSWCSMKJ-ZDUSSCGKSA-N 2 0 297.240 2.847 20 0 CFADRP C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)=C1CC[NH2+]CC1 ZINC001240878418 782092496 /nfs/dbraw/zinc/09/24/96/782092496.db2.gz IOHFMMGAHKURFJ-QGZVFWFLSA-N 2 0 256.393 2.920 20 0 CFADRP CCc1ccc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000051717270 322319480 /nfs/dbraw/zinc/31/94/80/322319480.db2.gz IBJUTHPABQAKTM-UHFFFAOYSA-N 2 0 252.427 2.886 20 0 CFADRP C[C@@H](CN[C@@H](C)c1cscn1)C[NH+]1CCCCC1 ZINC000162373203 322363853 /nfs/dbraw/zinc/36/38/53/322363853.db2.gz OUMYWMWRUVQZMX-STQMWFEESA-N 2 0 267.442 2.916 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164624999 322383577 /nfs/dbraw/zinc/38/35/77/322383577.db2.gz GJBUDULUTJGJLP-FGTMMUONSA-N 3 0 295.515 2.961 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000569673892 322488805 /nfs/dbraw/zinc/48/88/05/322488805.db2.gz VAZLHVZCCMHQME-FZMZJTMJSA-N 2 0 290.436 2.745 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000569744830 322493999 /nfs/dbraw/zinc/49/39/99/322493999.db2.gz QAKPXYFLYSTIDQ-KFWWJZLASA-N 2 0 293.842 2.778 20 0 CFADRP c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000569802351 322497163 /nfs/dbraw/zinc/49/71/63/322497163.db2.gz XANUMOVLWOECBI-IRXDYDNUSA-N 2 0 258.409 2.912 20 0 CFADRP CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000570175744 322518584 /nfs/dbraw/zinc/51/85/84/322518584.db2.gz LHGMXTQUHMNVCS-DZKIICNBSA-N 2 0 273.424 2.817 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CC([NH+](C)C)C2)C1 ZINC000570582215 322540369 /nfs/dbraw/zinc/54/03/69/322540369.db2.gz ZJWWJNMECXWMNB-WXLSXGNJSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H](C[NH2+]CCC1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000572079675 322606344 /nfs/dbraw/zinc/60/63/44/322606344.db2.gz LPJUERQDVFDXTM-KRWDZBQOSA-N 2 0 295.515 2.820 20 0 CFADRP OC1(C[NH2+]CCCCC[NH+]2CCCCC2)CCCC1 ZINC000573317697 322651997 /nfs/dbraw/zinc/65/19/97/322651997.db2.gz SDCQRVVPNYRZFO-UHFFFAOYSA-N 2 0 268.445 2.537 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000574637304 322700068 /nfs/dbraw/zinc/70/00/68/322700068.db2.gz YVBIOBMXXCUWPM-KRWDZBQOSA-N 2 0 297.402 2.872 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]C(C2CC2)C2CC2)C[C@H](C)O1 ZINC000178034946 323707981 /nfs/dbraw/zinc/70/79/81/323707981.db2.gz KGYJOGHTYWBZOH-KBPBESRZSA-N 2 0 280.456 2.654 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C1(CC)CC ZINC000181392761 323810154 /nfs/dbraw/zinc/81/01/54/323810154.db2.gz FJITVZOCHHRDIN-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OCC)C2(C)C)CC1 ZINC000181695759 323820671 /nfs/dbraw/zinc/82/06/71/323820671.db2.gz WUJVDTBZLXLUNI-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)C1(C)C ZINC000181823297 323828317 /nfs/dbraw/zinc/82/83/17/323828317.db2.gz XNNOJKDIRRZREW-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1nccn1C ZINC000182454937 323865219 /nfs/dbraw/zinc/86/52/19/323865219.db2.gz JMRSMVYLWDASSQ-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191523114 324050672 /nfs/dbraw/zinc/05/06/72/324050672.db2.gz XMVKDKVWQSUEKO-XHBSWPGZSA-N 2 0 282.378 2.826 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccsc1Br ZINC000388548707 324507978 /nfs/dbraw/zinc/50/79/78/324507978.db2.gz LBSNDZRQUQWVBI-QMMMGPOBSA-N 2 0 277.231 2.728 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000576598112 324636831 /nfs/dbraw/zinc/63/68/31/324636831.db2.gz FWAANSDXCSLGCH-DLBZAZTESA-N 3 0 281.488 2.604 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(CC[NH3+])CC1 ZINC000577381398 324730834 /nfs/dbraw/zinc/73/08/34/324730834.db2.gz WSUMASJICWUFSF-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000578216862 324829432 /nfs/dbraw/zinc/82/94/32/324829432.db2.gz SYTJGKUFMVRUSG-WCVJEAGWSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)OC1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000578231343 324830899 /nfs/dbraw/zinc/83/08/99/324830899.db2.gz JAUQLYFANVAFOC-OAHLLOKOSA-N 2 0 294.414 2.757 20 0 CFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)CC1CCCC1 ZINC000579583926 324962382 /nfs/dbraw/zinc/96/23/82/324962382.db2.gz RZTWPNRVFQEXQC-KRWDZBQOSA-N 2 0 282.472 2.783 20 0 CFADRP COCC[NH2+]C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000580081205 325005261 /nfs/dbraw/zinc/00/52/61/325005261.db2.gz GSBLCGHLMUIOPO-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000580182228 325013291 /nfs/dbraw/zinc/01/32/91/325013291.db2.gz YDAIUNIAVQKRIG-JQFCIGGWSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000580311955 325024767 /nfs/dbraw/zinc/02/47/67/325024767.db2.gz YSMXXACJSMAZOD-BZUAXINKSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@]1(c2ccccc2)C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000580431986 325034689 /nfs/dbraw/zinc/03/46/89/325034689.db2.gz GYZOXDVMOXFZNE-SFHVURJKSA-N 2 0 288.435 2.624 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000581005732 325081828 /nfs/dbraw/zinc/08/18/28/325081828.db2.gz FHPMZXYEYXUJDE-LLVKDONJSA-N 2 0 264.438 2.887 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581357423 325113773 /nfs/dbraw/zinc/11/37/73/325113773.db2.gz LDPJVPIOOIPERJ-ZWNOBZJWSA-N 2 0 254.324 2.712 20 0 CFADRP CCSc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000581380330 325116988 /nfs/dbraw/zinc/11/69/88/325116988.db2.gz QFOMPZGVLMEQFK-STQMWFEESA-N 2 0 265.426 2.553 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000581753252 325147979 /nfs/dbraw/zinc/14/79/79/325147979.db2.gz PHFSPCVNLJUUSV-KRWDZBQOSA-N 2 0 298.434 2.692 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000581997119 325167411 /nfs/dbraw/zinc/16/74/11/325167411.db2.gz YDIRRKQAJUJZJJ-CABCVRRESA-N 2 0 290.455 2.698 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000582129783 325179293 /nfs/dbraw/zinc/17/92/93/325179293.db2.gz CGFWBKIOJFXLTC-AEFFLSMTSA-N 2 0 292.467 2.984 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000582448053 325206290 /nfs/dbraw/zinc/20/62/90/325206290.db2.gz PLXHSRDIMBRBBB-INIZCTEOSA-N 3 0 275.440 2.643 20 0 CFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])CC2 ZINC000582600333 325218116 /nfs/dbraw/zinc/21/81/16/325218116.db2.gz STWUIALPFRMYPW-BZUAXINKSA-N 2 0 290.455 2.571 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000582617746 325221151 /nfs/dbraw/zinc/22/11/51/325221151.db2.gz YBDOQXBDUUUUPE-BZUAXINKSA-N 2 0 295.858 2.802 20 0 CFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582693377 325225890 /nfs/dbraw/zinc/22/58/90/325225890.db2.gz XYBKKJBYWNUUEN-LAVFITLUSA-N 2 0 288.435 2.664 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000582735704 325230482 /nfs/dbraw/zinc/23/04/82/325230482.db2.gz KVNBUEYQZHEGGA-XNIRIUNOSA-N 2 0 258.409 2.966 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000582856300 325240622 /nfs/dbraw/zinc/24/06/22/325240622.db2.gz NJMSHGJLOZNBEN-DLBZAZTESA-N 2 0 298.434 2.849 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC000583070050 325257500 /nfs/dbraw/zinc/25/75/00/325257500.db2.gz TWBCNAAJLATDIC-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000583434778 325286802 /nfs/dbraw/zinc/28/68/02/325286802.db2.gz WQAKVFOHSJTGFP-NFAWXSAZSA-N 2 0 277.412 2.749 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000583779892 325309964 /nfs/dbraw/zinc/30/99/64/325309964.db2.gz ONLOARMWVXQPAA-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000584002092 325323941 /nfs/dbraw/zinc/32/39/41/325323941.db2.gz LWDKJFAWKWUCHX-DGCLKSJQSA-N 2 0 284.350 2.642 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584004817 325324745 /nfs/dbraw/zinc/32/47/45/325324745.db2.gz WFXGLKICSVKFNH-ZOBORPQBSA-N 2 0 256.459 2.910 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000584237759 325340065 /nfs/dbraw/zinc/34/00/65/325340065.db2.gz NBCGBSFYFCJGBG-ULQDDVLXSA-N 2 0 284.488 2.884 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000035647741 330248183 /nfs/dbraw/zinc/24/81/83/330248183.db2.gz KBLRMGUVIIVYLA-AWEZNQCLSA-N 2 0 278.440 2.804 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000414807905 533718294 /nfs/dbraw/zinc/71/82/94/533718294.db2.gz RRRCLXVOSMDHRY-UKRRQHHQSA-N 2 0 250.361 2.741 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1cc2c(nn1)CC[NH2+]C2 ZINC001243334431 782141446 /nfs/dbraw/zinc/14/14/46/782141446.db2.gz CPTBOGCEIKRXLA-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1ncnc2c1C[NH2+]CC2 ZINC001243333543 782141532 /nfs/dbraw/zinc/14/15/32/782141532.db2.gz HLOXCLRLCVPKDZ-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CC(C)([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccnc(Cl)c1 ZINC001154989885 782143283 /nfs/dbraw/zinc/14/32/83/782143283.db2.gz WIWAILDBRSPPCE-RYUDHWBXSA-N 2 0 267.804 2.830 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354208113 520624434 /nfs/dbraw/zinc/62/44/34/520624434.db2.gz NYHUGNDAGAZLOO-CVEARBPZSA-N 2 0 298.471 2.915 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643031155 500748231 /nfs/dbraw/zinc/74/82/31/500748231.db2.gz HXSVKOGZLVQZAI-YOEHRIQHSA-N 2 0 281.403 2.985 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CCCC[NH3+])cc(N2CCCC2)n1 ZINC000423130457 533730790 /nfs/dbraw/zinc/73/07/90/533730790.db2.gz YKZGZMIXLFXJJB-CQSZACIVSA-N 2 0 290.455 2.597 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1Br ZINC000423167329 533731225 /nfs/dbraw/zinc/73/12/25/533731225.db2.gz SCIYRSIHDDGSDA-WDEREUQCSA-N 2 0 285.229 2.973 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423176514 533756824 /nfs/dbraw/zinc/75/68/24/533756824.db2.gz GGHUDZUCDORFIS-QCPWZWHMSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccnn1-c1ccccc1 ZINC000423224791 533807284 /nfs/dbraw/zinc/80/72/84/533807284.db2.gz CQKVNPTVBQPLOH-NFOMZHRRSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422805511 533805835 /nfs/dbraw/zinc/80/58/35/533805835.db2.gz JFXXMXFGSBBBTM-KTAKPFMOSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422890851 533828582 /nfs/dbraw/zinc/82/85/82/533828582.db2.gz UBFLLNSXRFVGAC-IGKNDFSCSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCOc1ccc(F)cc1 ZINC000422777402 533845156 /nfs/dbraw/zinc/84/51/56/533845156.db2.gz FOAUFWFIZRDGNX-CYBMUJFWSA-N 2 0 268.376 2.702 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422721319 533845980 /nfs/dbraw/zinc/84/59/80/533845980.db2.gz VAFMHBKNGBEVAS-KGLIPLIRSA-N 2 0 295.496 2.602 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(C2CC2)cs1 ZINC000422947261 533847997 /nfs/dbraw/zinc/84/79/97/533847997.db2.gz XYKYYOAQTDNCHC-SNVBAGLBSA-N 2 0 253.415 2.628 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422892369 533849257 /nfs/dbraw/zinc/84/92/57/533849257.db2.gz MYMCOASDVCBXQW-CYBMUJFWSA-N 2 0 273.380 2.949 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414805838 533862122 /nfs/dbraw/zinc/86/21/22/533862122.db2.gz YUVLQDYNRMRBLZ-GWCFXTLKSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000422948176 533874096 /nfs/dbraw/zinc/87/40/96/533874096.db2.gz ZYUBTNRKWYREKN-CHWSQXEVSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423145237 533869570 /nfs/dbraw/zinc/86/95/70/533869570.db2.gz JSPPXAQMIAIALR-GFCCVEGCSA-N 2 0 292.814 2.743 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415016567 533869775 /nfs/dbraw/zinc/86/97/75/533869775.db2.gz CWIZBIWTXVFVRE-OAHLLOKOSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423095135 533875428 /nfs/dbraw/zinc/87/54/28/533875428.db2.gz LLDANQJKBBEUBS-JHJVBQTASA-N 2 0 250.361 2.789 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423111811 533880506 /nfs/dbraw/zinc/88/05/06/533880506.db2.gz JIFOUSNUXZCQLG-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414855813 533915988 /nfs/dbraw/zinc/91/59/88/533915988.db2.gz NSSPVBYJVKUIPF-CMPLNLGQSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]2CCCC[C@@H]12 ZINC000414719873 533944025 /nfs/dbraw/zinc/94/40/25/533944025.db2.gz ZZYPHVSMZCHONK-OTJKEOIZSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423341899 533945572 /nfs/dbraw/zinc/94/55/72/533945572.db2.gz KNYHKJGHAIHCIG-VQIMIIECSA-N 3 0 299.462 2.549 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423388297 533981776 /nfs/dbraw/zinc/98/17/76/533981776.db2.gz INAFYSKYKSBYFV-HWWQOWPSSA-N 2 0 282.378 2.874 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000425341241 533984291 /nfs/dbraw/zinc/98/42/91/533984291.db2.gz CQRRXMFGVKUKJL-UONOGXRCSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000035450730 534001288 /nfs/dbraw/zinc/00/12/88/534001288.db2.gz UMHRCIDGVIUIOB-CYBMUJFWSA-N 2 0 252.402 2.778 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423159046 534015828 /nfs/dbraw/zinc/01/58/28/534015828.db2.gz FBZTXGCWICBDTC-FUJMWEONSA-N 2 0 294.414 2.872 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414698979 534019772 /nfs/dbraw/zinc/01/97/72/534019772.db2.gz DPMMVSDQHGXFMZ-LSDHHAIUSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414876927 534047757 /nfs/dbraw/zinc/04/77/57/534047757.db2.gz LZAPBGYQURBTMZ-MNOVXSKESA-N 2 0 285.229 2.737 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815464 534068480 /nfs/dbraw/zinc/06/84/80/534068480.db2.gz BVGXIZTXKCJSAK-PBHICJAKSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422712996 534070117 /nfs/dbraw/zinc/07/01/17/534070117.db2.gz JHAXXOMFBZWOLS-ZBFHGGJFSA-N 2 0 293.430 2.630 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422713304 534073059 /nfs/dbraw/zinc/07/30/59/534073059.db2.gz JJWCDLRYPUZTPS-IUODEOHRSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000423171661 534073899 /nfs/dbraw/zinc/07/38/99/534073899.db2.gz PKVGXQGNBBBKLG-CZUORRHYSA-N 2 0 275.440 2.857 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423147992 534074191 /nfs/dbraw/zinc/07/41/91/534074191.db2.gz UFXUOABMMRAMPJ-VNHYZAJKSA-N 2 0 276.449 2.854 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000422759687 534076314 /nfs/dbraw/zinc/07/63/14/534076314.db2.gz LHPUKHFHTUHUTQ-XYJFISCASA-N 2 0 290.451 2.960 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC000414676029 534077783 /nfs/dbraw/zinc/07/77/83/534077783.db2.gz MSTNIGJCCVHZAW-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340197 534086904 /nfs/dbraw/zinc/08/69/04/534086904.db2.gz VLXIKVZJQSFXOU-CJNGLKHVSA-N 2 0 258.409 2.899 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423249949 534129672 /nfs/dbraw/zinc/12/96/72/534129672.db2.gz PPKDFTMUUUAKMI-FUHWJXTLSA-N 2 0 272.436 2.905 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CC2)cc1 ZINC000423338293 534130141 /nfs/dbraw/zinc/13/01/41/534130141.db2.gz YRWGSTLDXCYICP-IAGOWNOFSA-N 2 0 258.409 2.643 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414909587 534134541 /nfs/dbraw/zinc/13/45/41/534134541.db2.gz SWMHTBQWDCLJOR-NXHRZFHOSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H]1[C@@H]([NH3+])CCN1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414777634 534139481 /nfs/dbraw/zinc/13/94/81/534139481.db2.gz YASDWJVPHJZVCP-RDJZCZTQSA-N 2 0 289.467 2.566 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423101963 534176382 /nfs/dbraw/zinc/17/63/82/534176382.db2.gz WSCBXZNKAKVYGV-CYDGBPFRSA-N 2 0 250.361 2.787 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000422725115 534200593 /nfs/dbraw/zinc/20/05/93/534200593.db2.gz XLQLSORUUFCASS-YJBOKZPZSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415088263 534203400 /nfs/dbraw/zinc/20/34/00/534203400.db2.gz WAEYULSXALAEMJ-RDJZCZTQSA-N 2 0 298.434 2.535 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])co2)cc1 ZINC000422875694 534213464 /nfs/dbraw/zinc/21/34/64/534213464.db2.gz CUXXDTXMUADYLE-UONOGXRCSA-N 2 0 287.407 2.908 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422730089 534253316 /nfs/dbraw/zinc/25/33/16/534253316.db2.gz CYHMGQMYLXBUGU-OPFPJEHXSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1=CC[NH2+]CC1 ZINC000423360584 534266308 /nfs/dbraw/zinc/26/63/08/534266308.db2.gz WELMMDLJNCIIMS-ZDUSSCGKSA-N 2 0 270.376 2.873 20 0 CFADRP C(=C/c1ccccc1)\C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311823615 518372231 /nfs/dbraw/zinc/37/22/31/518372231.db2.gz FCZDCSXKEPULRN-FKFPMXNCSA-N 2 0 256.393 2.631 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000423169891 534349266 /nfs/dbraw/zinc/34/92/66/534349266.db2.gz WVHHDYISICZYAY-SNVBAGLBSA-N 2 0 283.366 2.935 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000423120068 534349284 /nfs/dbraw/zinc/34/92/84/534349284.db2.gz GCHQBKWDVZDRFD-GRZMOONWSA-N 2 0 287.329 2.840 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cccs1 ZINC000422762694 534349711 /nfs/dbraw/zinc/34/97/11/534349711.db2.gz SRKAFAHJSSYHDW-LLVKDONJSA-N 2 0 275.421 2.804 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000422968440 534350192 /nfs/dbraw/zinc/35/01/92/534350192.db2.gz QVAAWXBWFDEHMO-SECBINFHSA-N 2 0 275.318 2.842 20 0 CFADRP CC(C)(C)[C@H](CCO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300715844 518957664 /nfs/dbraw/zinc/95/76/64/518957664.db2.gz LDOKANLVLLIKPZ-KKUMJFAQSA-N 2 0 262.397 2.518 20 0 CFADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000166168710 519029087 /nfs/dbraw/zinc/02/90/87/519029087.db2.gz RHEBNTJGQJYQMJ-LLVKDONJSA-N 2 0 252.427 2.826 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414919437 534404962 /nfs/dbraw/zinc/40/49/62/534404962.db2.gz UYNQYIJQQFBNAA-GFCCVEGCSA-N 2 0 288.313 2.817 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000227913115 519211705 /nfs/dbraw/zinc/21/17/05/519211705.db2.gz MMSQHYFZBIMKMM-GJZGRUSLSA-N 2 0 262.397 2.520 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414903406 534420356 /nfs/dbraw/zinc/42/03/56/534420356.db2.gz JUNQOXNCPKDPRO-CYBMUJFWSA-N 2 0 272.314 2.937 20 0 CFADRP CC(C)C1CCC(C[NH2+]CCOCC[NH+](C)C)CC1 ZINC000311326055 519562621 /nfs/dbraw/zinc/56/26/21/519562621.db2.gz BORWYFCLGFCFIS-UHFFFAOYSA-N 2 0 270.461 2.617 20 0 CFADRP CC(C)CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000338434320 519641001 /nfs/dbraw/zinc/64/10/01/519641001.db2.gz AEGFNFAWHOOFFT-IRXDYDNUSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)C1CCOCC1)C(C)C ZINC000155848799 519643529 /nfs/dbraw/zinc/64/35/29/519643529.db2.gz VJYJKZDRDJTMSA-OAHLLOKOSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)C1CCOCC1)C(C)C ZINC000155848683 519643912 /nfs/dbraw/zinc/64/39/12/519643912.db2.gz VJYJKZDRDJTMSA-HNNXBMFYSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000163584820 519653676 /nfs/dbraw/zinc/65/36/76/519653676.db2.gz VGOQBPYRTIPAJW-OAHLLOKOSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000361924116 519653765 /nfs/dbraw/zinc/65/37/65/519653765.db2.gz GCZPWEBGUWZLEE-SJLPKXTDSA-N 3 0 295.515 2.674 20 0 CFADRP CC(C)CCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000056494150 519665249 /nfs/dbraw/zinc/66/52/49/519665249.db2.gz ONVYJWIZIIDGPF-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC(C)OCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171499219 519762687 /nfs/dbraw/zinc/76/26/87/519762687.db2.gz HJZNGHIRPPRGHB-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)CSCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366542486 519767681 /nfs/dbraw/zinc/76/76/81/519767681.db2.gz CZLUBLRBBQYYBS-OAHLLOKOSA-N 2 0 270.486 2.793 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000361003167 519776944 /nfs/dbraw/zinc/77/69/44/519776944.db2.gz NKVSPYWUAXHVRI-HUUCEWRRSA-N 2 0 270.461 2.898 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000227573484 519794971 /nfs/dbraw/zinc/79/49/71/519794971.db2.gz ANEOAVGXYWSCSB-KZNAEPCWSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000070347230 519805737 /nfs/dbraw/zinc/80/57/37/519805737.db2.gz HILAYLKXAOUSNP-CVEARBPZSA-N 2 0 268.445 2.652 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000312225837 519847518 /nfs/dbraw/zinc/84/75/18/519847518.db2.gz CEQBLQGBWINADM-STQMWFEESA-N 2 0 294.361 2.560 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309807066 520138279 /nfs/dbraw/zinc/13/82/79/520138279.db2.gz UWOUPPASAMUJFK-XYJFISCASA-N 2 0 290.451 2.912 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCCn2cc(C)cn2)C1 ZINC000173902910 520254324 /nfs/dbraw/zinc/25/43/24/520254324.db2.gz IENJNYMTOBUDPB-QGZVFWFLSA-N 2 0 292.471 2.635 20 0 CFADRP c1ccc(COCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000309760420 534489512 /nfs/dbraw/zinc/48/95/12/534489512.db2.gz DJNVZIOFFXWAKH-HDICACEKSA-N 2 0 288.435 2.525 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C12CCC2 ZINC000087710991 520426127 /nfs/dbraw/zinc/42/61/27/520426127.db2.gz GPTQPYCIIPYIEE-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000311563840 520453305 /nfs/dbraw/zinc/45/33/05/520453305.db2.gz SOEVPJKZPQUOFW-AWEZNQCLSA-N 2 0 264.413 2.763 20 0 CFADRP CCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216077445 520454805 /nfs/dbraw/zinc/45/48/05/520454805.db2.gz IEFUMDBAUBPOBF-ZFWWWQNUSA-N 2 0 262.397 2.645 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423166147 534503586 /nfs/dbraw/zinc/50/35/86/534503586.db2.gz QOZRIZLTZBFMHV-XPYUAMARSA-N 2 0 298.430 2.878 20 0 CFADRP CC[NH+](CC)CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193308664 520621347 /nfs/dbraw/zinc/62/13/47/520621347.db2.gz NPDNAAXUOSCPIH-UHFFFAOYSA-N 2 0 290.451 2.876 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000360994823 520624943 /nfs/dbraw/zinc/62/49/43/520624943.db2.gz GKRADBBZMQSXHK-HUUCEWRRSA-N 2 0 270.461 2.900 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000087406588 520630422 /nfs/dbraw/zinc/63/04/22/520630422.db2.gz SDAOWZNWURLUGO-ZIAGYGMSSA-N 2 0 280.460 2.890 20 0 CFADRP Fc1ccc2oc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2c1 ZINC000414833150 534511801 /nfs/dbraw/zinc/51/18/01/534511801.db2.gz PGYKIJYUAYNMSA-NSHDSACASA-N 2 0 262.328 2.661 20 0 CFADRP CC1([NH2+]Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000334840835 520767923 /nfs/dbraw/zinc/76/79/23/520767923.db2.gz CQBDVDWOALBWFN-UHFFFAOYSA-N 2 0 283.213 2.681 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC1CC[NH+](CC)CC1 ZINC000360247355 520725407 /nfs/dbraw/zinc/72/54/07/520725407.db2.gz ZWZGKWSEWUVVGK-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000076003325 520727890 /nfs/dbraw/zinc/72/78/90/520727890.db2.gz MDEWNVRFMDKFDY-ZDUSSCGKSA-N 2 0 296.377 2.619 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000361457416 520728041 /nfs/dbraw/zinc/72/80/41/520728041.db2.gz AFQMPUZTGBYLLP-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP Cc1occc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000414357359 534575170 /nfs/dbraw/zinc/57/51/70/534575170.db2.gz CSFQTJZGIFWRMC-UHFFFAOYSA-N 2 0 250.386 2.798 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000155690242 521691225 /nfs/dbraw/zinc/69/12/25/521691225.db2.gz UJHJTHRDVOPXDS-IRXDYDNUSA-N 2 0 289.467 2.672 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C=CCCC2)[C@@H](C)C1 ZINC000246289948 521708331 /nfs/dbraw/zinc/70/83/31/521708331.db2.gz CHABPLQKXBQHSB-ULQDDVLXSA-N 2 0 280.456 2.822 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000245420553 521714074 /nfs/dbraw/zinc/71/40/74/521714074.db2.gz HMVSVCAWULLOCU-XJKSGUPXSA-N 2 0 264.388 2.988 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000245407965 521717650 /nfs/dbraw/zinc/71/76/50/521717650.db2.gz DXDFQTLFOURNNW-DYVFJYSZSA-N 2 0 274.408 2.614 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360839715 521717831 /nfs/dbraw/zinc/71/78/31/521717831.db2.gz YRFAOHINVYIARU-PBHICJAKSA-N 2 0 273.424 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000163225358 521717846 /nfs/dbraw/zinc/71/78/46/521717846.db2.gz OLBNHOLUEPWDTJ-RHSMWYFYSA-N 2 0 258.409 2.914 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246403869 521720532 /nfs/dbraw/zinc/72/05/32/521720532.db2.gz ARCYYMKLQWAWRL-YOEHRIQHSA-N 2 0 288.435 2.784 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ncccc3C)CC2)[C@@H](C)C1 ZINC000366018170 521720869 /nfs/dbraw/zinc/72/08/69/521720869.db2.gz SFMYURXXUUYQGP-HOTGVXAUSA-N 2 0 287.451 2.742 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1cccc2ccccc21 ZINC000230005005 521794767 /nfs/dbraw/zinc/79/47/67/521794767.db2.gz PNXCXPKJSQAABI-UHFFFAOYSA-N 2 0 272.392 2.508 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000422772733 534594029 /nfs/dbraw/zinc/59/40/29/534594029.db2.gz SUOJRHGFXKGTSP-UHFFFAOYSA-N 2 0 264.438 2.886 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000300408476 521885232 /nfs/dbraw/zinc/88/52/32/521885232.db2.gz OIBWWHGARDJIQR-YQQAZPJKSA-N 2 0 284.488 2.884 20 0 CFADRP C[NH2+]C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000339407941 521951377 /nfs/dbraw/zinc/95/13/77/521951377.db2.gz RHOVSYXMHJEYIX-UHFFFAOYSA-N 2 0 276.424 2.920 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000311345610 521977857 /nfs/dbraw/zinc/97/78/57/521977857.db2.gz RZWDUEKGJFWIOJ-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000337532046 521987081 /nfs/dbraw/zinc/98/70/81/521987081.db2.gz VTWWEMLEIZXFNN-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000192683375 522030246 /nfs/dbraw/zinc/03/02/46/522030246.db2.gz PKAMDYHSNRUXRA-FBVQUNGASA-N 2 0 293.499 2.712 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000414746622 534609600 /nfs/dbraw/zinc/60/96/00/534609600.db2.gz SNNNLKOCNHTQFJ-OSAQELSMSA-N 2 0 279.453 2.977 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000340675249 522171975 /nfs/dbraw/zinc/17/19/75/522171975.db2.gz APGLDHWQUSPRNM-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423196481 534616069 /nfs/dbraw/zinc/61/60/69/534616069.db2.gz VLQQUYBJQBSLKM-JSGCOSHPSA-N 2 0 252.789 2.915 20 0 CFADRP [NH3+]CCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000414699620 534616347 /nfs/dbraw/zinc/61/63/47/534616347.db2.gz FDXSLCITRBEFKW-UHFFFAOYSA-N 2 0 283.213 2.767 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423183776 534616415 /nfs/dbraw/zinc/61/64/15/534616415.db2.gz HPNCXMPBZXDXJM-OCCSQVGLSA-N 2 0 252.789 2.915 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423177655 534616523 /nfs/dbraw/zinc/61/65/23/534616523.db2.gz BBACPZCQJZDRLA-INIZCTEOSA-N 2 0 289.810 2.957 20 0 CFADRP CC[C@@H](C)[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305168283 522395625 /nfs/dbraw/zinc/39/56/25/522395625.db2.gz ZAIIKAMCBQAYAZ-RHSMWYFYSA-N 2 0 282.472 2.780 20 0 CFADRP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423318962 534640163 /nfs/dbraw/zinc/64/01/63/534640163.db2.gz LFZAQZARDNDYBL-ZBFHGGJFSA-N 2 0 278.827 2.860 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000340353481 522517455 /nfs/dbraw/zinc/51/74/55/522517455.db2.gz MDMQJQCCRIADLP-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP Clc1cccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428036903 534646204 /nfs/dbraw/zinc/64/62/04/534646204.db2.gz RWBRLGOCVXBWRR-CJNGLKHVSA-N 2 0 294.826 2.793 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158202796 522592144 /nfs/dbraw/zinc/59/21/44/522592144.db2.gz JFEZJCGWLFQRGN-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158855380 522597936 /nfs/dbraw/zinc/59/79/36/522597936.db2.gz GZXDZDFEEXXJFG-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP COC1(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCCC1 ZINC000361566745 522602797 /nfs/dbraw/zinc/60/27/97/522602797.db2.gz SVIATVULLYPLCS-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP COC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000319136746 522625848 /nfs/dbraw/zinc/62/58/48/522625848.db2.gz GJZOXEDXODBPES-GOOCMWNKSA-N 2 0 266.429 2.551 20 0 CFADRP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000193303379 522628354 /nfs/dbraw/zinc/62/83/54/522628354.db2.gz USKTYRDJPJCNKS-GOOCMWNKSA-N 2 0 266.429 2.551 20 0 CFADRP Clc1ccccc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415085575 534649255 /nfs/dbraw/zinc/64/92/55/534649255.db2.gz IKCVSYOTHCLLIF-CYBMUJFWSA-N 2 0 252.789 2.614 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000155602041 522848023 /nfs/dbraw/zinc/84/80/23/522848023.db2.gz VBACWRCXOGZFJQ-SJLPKXTDSA-N 2 0 289.467 2.753 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(C)cc1 ZINC000233897317 522920111 /nfs/dbraw/zinc/92/01/11/522920111.db2.gz DEVOAAICWIQHGR-JKSUJKDBSA-N 2 0 264.413 2.790 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422938631 534680565 /nfs/dbraw/zinc/68/05/65/534680565.db2.gz HNCJCHOTWKDJAZ-HZPDHXFCSA-N 2 0 276.424 2.789 20 0 CFADRP COCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000234623626 523135936 /nfs/dbraw/zinc/13/59/36/523135936.db2.gz RGAVKIVNJYGUPB-OWCLPIDISA-N 2 0 268.445 2.704 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423101187 534689976 /nfs/dbraw/zinc/68/99/76/534689976.db2.gz IGOIWOBXPGJRKF-CVEARBPZSA-N 2 0 261.413 2.572 20 0 CFADRP C[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000164212963 523242742 /nfs/dbraw/zinc/24/27/42/523242742.db2.gz SWYYBYZMWCQQIX-UHFFFAOYSA-N 2 0 258.768 2.896 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423094724 534710820 /nfs/dbraw/zinc/71/08/20/534710820.db2.gz KPQIDHKAGOKASJ-BVUBDWEXSA-N 2 0 262.372 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422913256 534714804 /nfs/dbraw/zinc/71/48/04/534714804.db2.gz XZSYJYUBPJFIEO-ZIAGYGMSSA-N 2 0 262.422 2.781 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361896655 523759229 /nfs/dbraw/zinc/75/92/29/523759229.db2.gz KVYDSIXZEDMUTA-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300457633 523793233 /nfs/dbraw/zinc/79/32/33/523793233.db2.gz MWEGEWRTVVDTJK-TVFCKZIOSA-N 2 0 294.483 2.876 20 0 CFADRP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192711375 523937957 /nfs/dbraw/zinc/93/79/57/523937957.db2.gz ZHFOTFKKZHMHOU-ALOPSCKCSA-N 2 0 288.435 2.843 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC000361983999 523977757 /nfs/dbraw/zinc/97/77/57/523977757.db2.gz WTGOIICPGPVHHS-MLGOLLRUSA-N 2 0 296.842 2.821 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCc2ccsc2)CC1 ZINC000361014490 524049995 /nfs/dbraw/zinc/04/99/95/524049995.db2.gz NLFRAYMCDXEZGY-UHFFFAOYSA-N 2 0 266.454 2.954 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000092381081 524051692 /nfs/dbraw/zinc/05/16/92/524051692.db2.gz KCXSGXHXCLEACX-UHFFFAOYSA-N 2 0 286.423 2.727 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227534710 524106834 /nfs/dbraw/zinc/10/68/34/524106834.db2.gz CTNMLKFTOGHUQA-ZTFGCOKTSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000310017749 524137482 /nfs/dbraw/zinc/13/74/82/524137482.db2.gz PEHVLFWJOJTRHK-JFIYKMOQSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCSc1ccccc1 ZINC000310261314 524137765 /nfs/dbraw/zinc/13/77/65/524137765.db2.gz LYJDAAJPJMCLCF-CYBMUJFWSA-N 2 0 252.427 2.886 20 0 CFADRP C[C@H](CCCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000168241369 524147792 /nfs/dbraw/zinc/14/77/92/524147792.db2.gz PFGRVSOBDXJECX-CQSZACIVSA-N 2 0 268.445 2.534 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000312739865 524172763 /nfs/dbraw/zinc/17/27/63/524172763.db2.gz XRAVORNDGXDFMZ-QGZVFWFLSA-N 2 0 276.424 2.743 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000334869015 524260751 /nfs/dbraw/zinc/26/07/51/524260751.db2.gz NRADKHAFIXTTAA-MSOLQXFVSA-N 2 0 288.435 2.632 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000157595842 524265243 /nfs/dbraw/zinc/26/52/43/524265243.db2.gz JNIVIKUNNQUVQQ-QGZVFWFLSA-N 2 0 292.471 2.763 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000157834348 524268058 /nfs/dbraw/zinc/26/80/58/524268058.db2.gz PKUHEFRJQOOFRF-HUUCEWRRSA-N 2 0 280.460 2.618 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360573116 524310652 /nfs/dbraw/zinc/31/06/52/524310652.db2.gz ZTQHDCGXVVCYLJ-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])c21 ZINC000422717460 534777702 /nfs/dbraw/zinc/77/77/02/534777702.db2.gz OPCVPFIVASPNGF-DZGCQCFKSA-N 2 0 271.408 2.736 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000360945085 524371441 /nfs/dbraw/zinc/37/14/41/524371441.db2.gz CRUGICKRBRTPAN-ZBFHGGJFSA-N 2 0 288.435 2.657 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1Br ZINC000309020043 524455964 /nfs/dbraw/zinc/45/59/64/524455964.db2.gz UBMAMDIWRMTKOS-JTQLQIEISA-N 2 0 271.202 2.666 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1F ZINC000192907939 524481176 /nfs/dbraw/zinc/48/11/76/524481176.db2.gz SGFUWBUGOASVDZ-FFHGMXDLSA-N 2 0 292.398 2.808 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000360984133 524497372 /nfs/dbraw/zinc/49/73/72/524497372.db2.gz ZBKLMHKNBUTVRA-YQQAZPJKSA-N 2 0 260.425 2.938 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000334867973 524599035 /nfs/dbraw/zinc/59/90/35/524599035.db2.gz HEMQUAGGLXMXTH-WCQYABFASA-N 2 0 252.789 2.879 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000335023373 524599567 /nfs/dbraw/zinc/59/95/67/524599567.db2.gz GZEOWGKGFICAQT-IUODEOHRSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H]1CC[C@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)O1 ZINC000191029331 524673055 /nfs/dbraw/zinc/67/30/55/524673055.db2.gz ZXICVIHCWZFPDG-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)s1 ZINC000335684520 524676994 /nfs/dbraw/zinc/67/69/94/524676994.db2.gz PPLCCRFPHRGUQE-UHFFFAOYSA-N 2 0 264.438 2.940 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000222911967 524695956 /nfs/dbraw/zinc/69/59/56/524695956.db2.gz NOUZSOWWCYMMOJ-QWHCGFSZSA-N 2 0 252.377 2.687 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422911101 534802910 /nfs/dbraw/zinc/80/29/10/534802910.db2.gz SEQIGUDHYDBRTJ-KBPBESRZSA-N 2 0 281.469 2.881 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422912116 534803215 /nfs/dbraw/zinc/80/32/15/534803215.db2.gz VLAPMPKTVPYIJR-JSGCOSHPSA-N 2 0 281.469 2.752 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1Cl ZINC000336050988 524717183 /nfs/dbraw/zinc/71/71/83/524717183.db2.gz CLTOGMKWLZMCHT-YPMHNXCESA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[C@H](C)O ZINC000305155765 524735459 /nfs/dbraw/zinc/73/54/59/524735459.db2.gz VRWSQEBPVAGISA-CABCVRRESA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1Cl ZINC000228411307 524754999 /nfs/dbraw/zinc/75/49/99/524754999.db2.gz HGVGMOPYTOMYEP-UHFFFAOYSA-N 2 0 252.789 2.880 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000156065683 524749462 /nfs/dbraw/zinc/74/94/62/524749462.db2.gz ZLAHMPFLQZPZOT-HZPDHXFCSA-N 2 0 274.408 2.590 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000050545531 524758521 /nfs/dbraw/zinc/75/85/21/524758521.db2.gz UZYYUZXLDINQLG-CQSZACIVSA-N 2 0 262.372 2.708 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1F ZINC000050545701 524759339 /nfs/dbraw/zinc/75/93/39/524759339.db2.gz ZTHYBBWCVZRNFF-AWEZNQCLSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000302554669 524759182 /nfs/dbraw/zinc/75/91/82/524759182.db2.gz KSSJMHDQOYTVHX-ZFWWWQNUSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1O ZINC000157673226 524771535 /nfs/dbraw/zinc/77/15/35/524771535.db2.gz CRWSELGFNUDKEB-UKRRQHHQSA-N 2 0 262.397 2.581 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000311046182 524783612 /nfs/dbraw/zinc/78/36/12/524783612.db2.gz PVYJJTATEWLMGJ-OLZOCXBDSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000230676999 524808463 /nfs/dbraw/zinc/80/84/63/524808463.db2.gz JJJBFWVJYSMSKR-WFASDCNBSA-N 2 0 257.381 2.740 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000218294546 524848537 /nfs/dbraw/zinc/84/85/37/524848537.db2.gz IQNBENVRSNXQMT-JSGCOSHPSA-N 2 0 250.361 2.551 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000335166780 524888910 /nfs/dbraw/zinc/88/89/10/524888910.db2.gz BMIRBTWOSSESTP-UHFFFAOYSA-N 2 0 252.789 2.880 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000336834578 524907083 /nfs/dbraw/zinc/90/70/83/524907083.db2.gz IFJYRBNGWROAFJ-OLZOCXBDSA-N 2 0 280.412 2.872 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000367711353 524908726 /nfs/dbraw/zinc/90/87/26/524908726.db2.gz BUXPCUJOKXHKIO-PMPSAXMXSA-N 2 0 287.451 2.822 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000367711350 524915668 /nfs/dbraw/zinc/91/56/68/524915668.db2.gz BUXPCUJOKXHKIO-BZUAXINKSA-N 2 0 287.451 2.822 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000311372620 524993286 /nfs/dbraw/zinc/99/32/86/524993286.db2.gz JNZPJXKMXVABNK-CQSZACIVSA-N 2 0 268.445 2.643 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000310877926 525163687 /nfs/dbraw/zinc/16/36/87/525163687.db2.gz NCMOHIKSUDCQEV-CHWSQXEVSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cncc(F)c1 ZINC000227496708 525315473 /nfs/dbraw/zinc/31/54/73/525315473.db2.gz HPMUNQRTSKWSHF-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000173428024 525401580 /nfs/dbraw/zinc/40/15/80/525401580.db2.gz USLRWZYNADYWKD-CVEARBPZSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092013 525419119 /nfs/dbraw/zinc/41/91/19/525419119.db2.gz NFRHYVZAFBLLRH-JYYAWHABSA-N 2 0 280.456 2.797 20 0 CFADRP CSCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000229213339 525435442 /nfs/dbraw/zinc/43/54/42/525435442.db2.gz OXAFHGZUWAPVNY-UHFFFAOYSA-N 2 0 279.453 2.783 20 0 CFADRP CSCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000194954719 525504802 /nfs/dbraw/zinc/50/48/02/525504802.db2.gz DECSPPSZWKBRIF-HNNXBMFYSA-N 2 0 270.486 2.793 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1(C)CC1 ZINC000248460630 525538949 /nfs/dbraw/zinc/53/89/49/525538949.db2.gz WPNLIKMFFNHMDZ-RHSMWYFYSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261981921 525831440 /nfs/dbraw/zinc/83/14/40/525831440.db2.gz JIFPXWWKRSFTDU-SJORKVTESA-N 2 0 276.399 2.789 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246119599 525844426 /nfs/dbraw/zinc/84/44/26/525844426.db2.gz KHHRIEQFFSUWAK-KBPBESRZSA-N 2 0 264.438 2.973 20 0 CFADRP COc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000190772564 526014910 /nfs/dbraw/zinc/01/49/10/526014910.db2.gz MASCEICUVTXGBB-OAHLLOKOSA-N 2 0 291.439 2.692 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000334998445 526159969 /nfs/dbraw/zinc/15/99/69/526159969.db2.gz QOVNNIBZERFONT-YPMHNXCESA-N 2 0 250.411 2.578 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334994641 526160952 /nfs/dbraw/zinc/16/09/52/526160952.db2.gz FUWPJEHQQBYTBP-OAHLLOKOSA-N 2 0 262.422 2.594 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)ccc2n1 ZINC000334841526 526232517 /nfs/dbraw/zinc/23/25/17/526232517.db2.gz OGCGPVUGIZGZGL-MLGOLLRUSA-N 2 0 269.392 2.631 20 0 CFADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423309109 526309991 /nfs/dbraw/zinc/30/99/91/526309991.db2.gz YZGRSQCEULRTJC-ABCZVMIZSA-N 2 0 288.435 2.772 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000336604948 526384626 /nfs/dbraw/zinc/38/46/26/526384626.db2.gz IEQJBYCOEBGVBJ-OAHLLOKOSA-N 2 0 262.372 2.647 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000336400763 526422598 /nfs/dbraw/zinc/42/25/98/526422598.db2.gz DTFKPSDYKAPOBH-AWEZNQCLSA-N 2 0 250.411 2.570 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000192928036 526470277 /nfs/dbraw/zinc/47/02/77/526470277.db2.gz FLPLXZOEQIMYPN-ROUUACIJSA-N 2 0 286.419 2.791 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000309717059 526470549 /nfs/dbraw/zinc/47/05/49/526470549.db2.gz LCZRZSPTARRSCS-MSOLQXFVSA-N 2 0 288.435 2.525 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000309707229 526470860 /nfs/dbraw/zinc/47/08/60/526470860.db2.gz IFBDOVPSFYTOBP-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000309707230 526471173 /nfs/dbraw/zinc/47/11/73/526471173.db2.gz IFBDOVPSFYTOBP-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000414912076 526881168 /nfs/dbraw/zinc/88/11/68/526881168.db2.gz UUYIZSJKIUKEKX-UHFFFAOYSA-N 2 0 281.469 2.920 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459740952 536502106 /nfs/dbraw/zinc/50/21/06/536502106.db2.gz URKSZHAZJRCKNA-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334979885 527000962 /nfs/dbraw/zinc/00/09/62/527000962.db2.gz JZGCPKGYXKDJOX-OLZOCXBDSA-N 2 0 279.815 2.557 20 0 CFADRP Clc1sccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312559259 527013907 /nfs/dbraw/zinc/01/39/07/527013907.db2.gz BGXQIKFGSFITCS-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000422753912 527176121 /nfs/dbraw/zinc/17/61/21/527176121.db2.gz FLFYUXARMWPYID-IUODEOHRSA-N 2 0 264.388 2.820 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000084217986 527216250 /nfs/dbraw/zinc/21/62/50/527216250.db2.gz KITUKIQGQKEZMZ-WCQYABFASA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000261817385 527233344 /nfs/dbraw/zinc/23/33/44/527233344.db2.gz IDHZCKDEXHSIRG-OAHLLOKOSA-N 2 0 264.438 2.591 20 0 CFADRP CC(C)([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423287195 527258600 /nfs/dbraw/zinc/25/86/00/527258600.db2.gz KTWBBIJGFIWZEY-OSYLJGHBSA-N 2 0 287.451 2.509 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423282624 527259647 /nfs/dbraw/zinc/25/96/47/527259647.db2.gz CYYJZFKYFQOPGI-ZIAGYGMSSA-N 2 0 262.397 2.559 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccccc2)c2ccccc21 ZINC000157426443 527419478 /nfs/dbraw/zinc/41/94/78/527419478.db2.gz YLLUHMHYOJBJGO-IRXDYDNUSA-N 2 0 268.360 2.800 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577689 527486723 /nfs/dbraw/zinc/48/67/23/527486723.db2.gz ZUYUMRXJGCEDOO-HNNXBMFYSA-N 2 0 293.480 2.944 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000423220992 527647489 /nfs/dbraw/zinc/64/74/89/527647489.db2.gz YZNADMJQLNJVEB-OAHLLOKOSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000423220990 527647654 /nfs/dbraw/zinc/64/76/54/527647654.db2.gz YZNADMJQLNJVEB-HNNXBMFYSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCCC1 ZINC000422867074 527695307 /nfs/dbraw/zinc/69/53/07/527695307.db2.gz RNMFNKVLPMPXPW-HRCADAONSA-N 2 0 282.472 2.935 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415084013 527725276 /nfs/dbraw/zinc/72/52/76/527725276.db2.gz OOOYFDXYSLMVDI-WMZOPIPTSA-N 3 0 295.515 2.722 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]([NH3+])CC(C)C)CC1 ZINC000415082885 527725378 /nfs/dbraw/zinc/72/53/78/527725378.db2.gz MOCGRJWMDOQDGF-QGZVFWFLSA-N 3 0 283.504 2.708 20 0 CFADRP CC(C)CCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414869863 527776028 /nfs/dbraw/zinc/77/60/28/527776028.db2.gz BIISFKZPDXFCCT-AWEZNQCLSA-N 2 0 264.413 2.796 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)c2O1 ZINC000414836944 527776980 /nfs/dbraw/zinc/77/69/80/527776980.db2.gz JVXLPTJLWQFKNX-CQSZACIVSA-N 2 0 288.435 2.879 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000414816434 527799123 /nfs/dbraw/zinc/79/91/23/527799123.db2.gz WXHXVZNQQPPVHE-NVXWUHKLSA-N 2 0 281.488 2.619 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(CC)CC ZINC000422831788 527830829 /nfs/dbraw/zinc/83/08/29/527830829.db2.gz DZQKVVGWVPCCOY-GZNJTBKBSA-N 2 0 280.456 2.843 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000422800098 527844834 /nfs/dbraw/zinc/84/48/34/527844834.db2.gz ASYYEUXBCRNOCF-QKPAOTATSA-N 2 0 280.456 2.844 20 0 CFADRP CCn1cncc1C[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000417906625 527846846 /nfs/dbraw/zinc/84/68/46/527846846.db2.gz CIXDYECLKYQGDA-UHFFFAOYSA-N 2 0 286.423 2.645 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422746736 527846950 /nfs/dbraw/zinc/84/69/50/527846950.db2.gz XCSQBEAUGFPZQP-UHFFFAOYSA-N 3 0 289.467 2.745 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)C[C@H]1Oc1ccccc1 ZINC000423184203 527867245 /nfs/dbraw/zinc/86/72/45/527867245.db2.gz LWDUNVZNNNGFNM-HZPDHXFCSA-N 2 0 274.408 2.574 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423343136 527868838 /nfs/dbraw/zinc/86/88/38/527868838.db2.gz ZFZUBUKWXBTDES-CVEARBPZSA-N 2 0 276.424 2.699 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000423100257 527874770 /nfs/dbraw/zinc/87/47/70/527874770.db2.gz UXQYOPWVKSAKIV-FZKCQIBNSA-N 2 0 296.455 2.619 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000423100256 527875276 /nfs/dbraw/zinc/87/52/76/527875276.db2.gz UXQYOPWVKSAKIV-FPCVCCKLSA-N 2 0 296.455 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000414808209 527881682 /nfs/dbraw/zinc/88/16/82/527881682.db2.gz DSNXUIJFYKTIDE-VBQJREDUSA-N 3 0 275.440 2.526 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH2+]C)C12CCCCC2 ZINC000423276726 527941280 /nfs/dbraw/zinc/94/12/80/527941280.db2.gz OXIBXDMOTVRIOF-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C12CCC2 ZINC000422780554 527950418 /nfs/dbraw/zinc/95/04/18/527950418.db2.gz KHUXCNZZUVPXLF-BPKGMFCQSA-N 2 0 292.467 2.844 20 0 CFADRP CC1(C[NH2+]Cc2cc(Cl)ccc2F)CC[NH2+]CC1 ZINC000414896495 527981218 /nfs/dbraw/zinc/98/12/18/527981218.db2.gz CDYZUSRCDPWAAC-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CC1(C[NH2+]Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000414896869 527983758 /nfs/dbraw/zinc/98/37/58/527983758.db2.gz AOANPTMRFLJZGH-UHFFFAOYSA-N 2 0 252.789 2.819 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2OCC2CC2)CC[NH2+]CC1 ZINC000414902613 527983851 /nfs/dbraw/zinc/98/38/51/527983851.db2.gz KYWRCJXGQIHRIZ-UHFFFAOYSA-N 2 0 288.435 2.955 20 0 CFADRP CC1(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000414914177 527983932 /nfs/dbraw/zinc/98/39/32/527983932.db2.gz XJWUGHJYCAESHY-UHFFFAOYSA-N 2 0 293.358 2.641 20 0 CFADRP CC1(C[NH2+]Cc2cnc(C(F)(F)F)s2)CC[NH2+]CC1 ZINC000414913784 527984008 /nfs/dbraw/zinc/98/40/08/527984008.db2.gz WSRNZXULOMHNOY-UHFFFAOYSA-N 2 0 293.358 2.641 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423141919 527989483 /nfs/dbraw/zinc/98/94/83/527989483.db2.gz SJEJHISYPWQSCP-QBPKDAKJSA-N 2 0 281.488 2.617 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000414089854 528038345 /nfs/dbraw/zinc/03/83/45/528038345.db2.gz CYLDGAHIXVDASX-QLFBSQMISA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000422823128 528048611 /nfs/dbraw/zinc/04/86/11/528048611.db2.gz LGUSXMBEWZQDLB-FCLJQHQZSA-N 2 0 280.456 2.844 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827606 528049784 /nfs/dbraw/zinc/04/97/84/528049784.db2.gz SJZOSCLMSWXWFD-FVQBIDKESA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422942493 528123537 /nfs/dbraw/zinc/12/35/37/528123537.db2.gz KMGMNDXFOSAEIH-ZIAGYGMSSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000414875579 528154845 /nfs/dbraw/zinc/15/48/45/528154845.db2.gz CDDMIMPMVIDVDO-ZDUSSCGKSA-N 2 0 250.386 2.548 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415024916 528155735 /nfs/dbraw/zinc/15/57/35/528155735.db2.gz PVLHYXIVZPUJNA-CQSZACIVSA-N 2 0 264.413 2.938 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414803370 528155971 /nfs/dbraw/zinc/15/59/71/528155971.db2.gz WPVOVGBEPKFYPY-RDJZCZTQSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414856649 528162202 /nfs/dbraw/zinc/16/22/02/528162202.db2.gz YVKDJOOULUWFJW-HNNXBMFYSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000422840627 528172265 /nfs/dbraw/zinc/17/22/65/528172265.db2.gz UFBNBCNFBXTNCT-PMPSAXMXSA-N 3 0 269.477 2.604 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828863 528179178 /nfs/dbraw/zinc/17/91/78/528179178.db2.gz JQNLCRLCOJBFCE-GFCCVEGCSA-N 2 0 282.815 2.828 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422742269 528185236 /nfs/dbraw/zinc/18/52/36/528185236.db2.gz RAOBXOLZBJBDGT-ZIAGYGMSSA-N 2 0 264.413 2.937 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422737113 528188299 /nfs/dbraw/zinc/18/82/99/528188299.db2.gz HMUFOYHHRONIFK-ZWKOTPCHSA-N 3 0 287.451 2.843 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414817903 528194965 /nfs/dbraw/zinc/19/49/65/528194965.db2.gz CAHIWQUNQFGTTG-KBPBESRZSA-N 2 0 291.439 2.854 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422690030 528195797 /nfs/dbraw/zinc/19/57/97/528195797.db2.gz GBPIMDLHSSMTAE-HUUCEWRRSA-N 3 0 277.456 2.744 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422780374 528200204 /nfs/dbraw/zinc/20/02/04/528200204.db2.gz DBXPUMQFIMEPJY-LSDHHAIUSA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422892331 528203621 /nfs/dbraw/zinc/20/36/21/528203621.db2.gz MTJUKYULOIVOFQ-OLZOCXBDSA-N 2 0 262.397 2.732 20 0 CFADRP CCC[NH+]1CCC(NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414802389 528204563 /nfs/dbraw/zinc/20/45/63/528204563.db2.gz BIJAQHNPITUXQL-CQSZACIVSA-N 2 0 275.440 2.670 20 0 CFADRP CC(C)c1cnc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000414829942 528215709 /nfs/dbraw/zinc/21/57/09/528215709.db2.gz BQTWBVQFJNTOIB-GFCCVEGCSA-N 2 0 267.442 2.746 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)C[C@H](C)[NH3+])Cc1ccccc1 ZINC000422836297 528281327 /nfs/dbraw/zinc/28/13/27/528281327.db2.gz QWRLTSFXJFFEPK-JZXOWHBKSA-N 2 0 291.483 2.655 20 0 CFADRP CCCC[N@H+](C)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422719844 528347787 /nfs/dbraw/zinc/34/77/87/528347787.db2.gz YMVUDZSTQGVNEJ-HZPDHXFCSA-N 2 0 269.477 2.619 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000414869416 528349275 /nfs/dbraw/zinc/34/92/75/528349275.db2.gz PZVQQOSYLHYYJH-DZGCQCFKSA-N 2 0 261.413 2.739 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414792366 528351025 /nfs/dbraw/zinc/35/10/25/528351025.db2.gz CDOXPCKWIZTXPI-YPMHNXCESA-N 2 0 267.442 2.874 20 0 CFADRP CC[NH2+]Cc1ccccc1NC[C@H]1CC[NH2+][C@H](C)C1 ZINC000414859166 528357560 /nfs/dbraw/zinc/35/75/60/528357560.db2.gz ASBUAGQNQVSWEQ-KGLIPLIRSA-N 2 0 261.413 2.596 20 0 CFADRP CC[NH2+]Cc1ccccc1NC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414859169 528357804 /nfs/dbraw/zinc/35/78/04/528357804.db2.gz ASBUAGQNQVSWEQ-ZIAGYGMSSA-N 2 0 261.413 2.596 20 0 CFADRP CCN(CCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422785661 528459465 /nfs/dbraw/zinc/45/94/65/528459465.db2.gz NQLKVOSEDQIUPW-AEFFLSMTSA-N 2 0 289.467 2.881 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1Cl ZINC000423106702 528464272 /nfs/dbraw/zinc/46/42/72/528464272.db2.gz OTVGGBWVMOIVES-YPMHNXCESA-N 2 0 282.815 2.826 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414857644 528464550 /nfs/dbraw/zinc/46/45/50/528464550.db2.gz PWKJBZQAJLGRLB-UKRRQHHQSA-N 2 0 262.397 2.563 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422737145 528470094 /nfs/dbraw/zinc/47/00/94/528470094.db2.gz HQBHMYSVVRRMHA-BRWVUGGUSA-N 2 0 281.488 2.619 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422740082 528471564 /nfs/dbraw/zinc/47/15/64/528471564.db2.gz MGADOYZZJIHRFZ-JCYILVPMSA-N 2 0 281.488 2.748 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](C)C[NH3+] ZINC000423314666 528488941 /nfs/dbraw/zinc/48/89/41/528488941.db2.gz YUVUKXJMPCPNOK-UKRRQHHQSA-N 2 0 266.454 2.988 20 0 CFADRP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C)c1 ZINC000422770494 528508798 /nfs/dbraw/zinc/50/87/98/528508798.db2.gz PZYBYTWQYSBMKW-SJPCQFCGSA-N 2 0 287.451 2.694 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1C ZINC000422877761 528516384 /nfs/dbraw/zinc/51/63/84/528516384.db2.gz IFMXEFMPBCEDDM-NVXWUHKLSA-N 2 0 289.467 2.799 20 0 CFADRP CCC[NH2+]CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414877457 528517232 /nfs/dbraw/zinc/51/72/32/528517232.db2.gz XPFKNWRICYBUCD-WMZOPIPTSA-N 2 0 289.467 2.629 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1C ZINC000422877762 528518237 /nfs/dbraw/zinc/51/82/37/528518237.db2.gz IFMXEFMPBCEDDM-RDJZCZTQSA-N 2 0 289.467 2.799 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000414853436 528518336 /nfs/dbraw/zinc/51/83/36/528518336.db2.gz SNCDWKLFHXXBKT-CGTJXYLNSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423269673 528520154 /nfs/dbraw/zinc/52/01/54/528520154.db2.gz WDKPQLBDZZQAOI-KZNAEPCWSA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccs1 ZINC000423178517 528570952 /nfs/dbraw/zinc/57/09/52/528570952.db2.gz KSPSEMMGWUWJMF-HNNXBMFYSA-N 2 0 295.496 2.720 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000414179093 528575412 /nfs/dbraw/zinc/57/54/12/528575412.db2.gz LDOWWJUVYJDFIM-CABCVRRESA-N 2 0 278.444 2.847 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000422709545 528575945 /nfs/dbraw/zinc/57/59/45/528575945.db2.gz KOWXLBAPXCHWHZ-QWHCGFSZSA-N 2 0 252.406 2.632 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000423274366 528579088 /nfs/dbraw/zinc/57/90/88/528579088.db2.gz KFFIZDQKALVZPM-GUTXKFCHSA-N 2 0 264.417 2.632 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423325762 528584751 /nfs/dbraw/zinc/58/47/51/528584751.db2.gz LOJCABSCQPMGFB-CQSZACIVSA-N 2 0 256.340 2.990 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422696201 528597731 /nfs/dbraw/zinc/59/77/31/528597731.db2.gz QYVOSTGCPYVELB-AWEZNQCLSA-N 2 0 264.413 2.830 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414691871 528605649 /nfs/dbraw/zinc/60/56/49/528605649.db2.gz JZTNNOOFFAEWOK-HUUCEWRRSA-N 2 0 256.434 2.641 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C)cc1OCC ZINC000423198516 528605988 /nfs/dbraw/zinc/60/59/88/528605988.db2.gz GHGWMTTXUQJCDQ-ZDUSSCGKSA-N 2 0 280.412 2.744 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CCC(C)C)CC[NH2+]CC1 ZINC000422737269 528614738 /nfs/dbraw/zinc/61/47/38/528614738.db2.gz ZLTRPBNHYXVXAJ-CABCVRRESA-N 2 0 298.471 2.722 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000422937695 528636189 /nfs/dbraw/zinc/63/61/89/528636189.db2.gz JWYGDSVFSOXLAE-LSDHHAIUSA-N 2 0 268.445 2.690 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000422820520 528637495 /nfs/dbraw/zinc/63/74/95/528637495.db2.gz RALPRWUOGSIHHK-BFHYXJOUSA-N 2 0 256.434 2.687 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422815418 528642588 /nfs/dbraw/zinc/64/25/88/528642588.db2.gz BOTPTFPBKDCQHW-BLNMRFBMSA-N 2 0 280.456 2.843 20 0 CFADRP CCOc1cccc(C[NH2+]CCCC[NH3+])c1OC(F)F ZINC000414899380 528653091 /nfs/dbraw/zinc/65/30/91/528653091.db2.gz FVTBOKRSOSACIS-UHFFFAOYSA-N 2 0 288.338 2.515 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)[C@@H](C)C1 ZINC000414221872 528663502 /nfs/dbraw/zinc/66/35/02/528663502.db2.gz MUPWCLIUDZMHBL-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415009535 528670777 /nfs/dbraw/zinc/67/07/77/528670777.db2.gz UFPQKUXAXTWWNN-CHWSQXEVSA-N 2 0 281.469 2.949 20 0 CFADRP CCCCOc1ccccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414886644 528701651 /nfs/dbraw/zinc/70/16/51/528701651.db2.gz YOXFHVHQQDATCL-CYBMUJFWSA-N 2 0 250.386 2.550 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414851409 528757902 /nfs/dbraw/zinc/75/79/02/528757902.db2.gz JDWYKQIKUPGOKR-GDBMZVCRSA-N 2 0 276.424 2.953 20 0 CFADRP CCCOc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414855146 528757919 /nfs/dbraw/zinc/75/79/19/528757919.db2.gz VSLGTXWZZZLQBF-HNNXBMFYSA-N 2 0 276.424 2.955 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423157223 528779501 /nfs/dbraw/zinc/77/95/01/528779501.db2.gz UYCKTQRFWYDCEP-WCVJEAGWSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423151903 528795397 /nfs/dbraw/zinc/79/53/97/528795397.db2.gz KTDAXFJOGHPRDU-IWCQGFGOSA-N 2 0 260.425 2.827 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414680361 528800813 /nfs/dbraw/zinc/80/08/13/528800813.db2.gz MYTHLZPAEAVKQF-ZFWWWQNUSA-N 2 0 290.407 2.625 20 0 CFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423121847 528829482 /nfs/dbraw/zinc/82/94/82/528829482.db2.gz JJGPQAZNEICVQE-XHSDSOJGSA-N 2 0 269.477 2.616 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000414809047 528949651 /nfs/dbraw/zinc/94/96/51/528949651.db2.gz LRVSINLQGAPBQM-LBPRGKRZSA-N 2 0 252.377 2.864 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414809540 528956832 /nfs/dbraw/zinc/95/68/32/528956832.db2.gz GVGNXFTYNLGWKY-KBAYOESNSA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237606 528988057 /nfs/dbraw/zinc/98/80/57/528988057.db2.gz QAFYLNOOPYRLRP-SJORKVTESA-N 2 0 260.425 2.985 20 0 CFADRP CCC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423306736 529006478 /nfs/dbraw/zinc/00/64/78/529006478.db2.gz UPESQVVYWJPDCB-CQSZACIVSA-N 2 0 252.789 2.990 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423299951 529008936 /nfs/dbraw/zinc/00/89/36/529008936.db2.gz QOOUAVGIFGOCKR-SWLSCSKDSA-N 2 0 250.386 2.721 20 0 CFADRP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(C)CC1 ZINC000422844233 529013147 /nfs/dbraw/zinc/01/31/47/529013147.db2.gz LGSYWFJYFJGSQM-WFFDWFOESA-N 2 0 293.499 2.616 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])Nc1ccccc1 ZINC000422983181 529014233 /nfs/dbraw/zinc/01/42/33/529014233.db2.gz YUDVLYHEZCKDCI-HOCLYGCPSA-N 2 0 263.429 2.840 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCCCC1 ZINC000422968302 529015795 /nfs/dbraw/zinc/01/57/95/529015795.db2.gz WGIWDSHYSOLXAG-CVEARBPZSA-N 2 0 269.477 2.604 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](C)C[NH3+] ZINC000423314665 529028794 /nfs/dbraw/zinc/02/87/94/529028794.db2.gz YUVUKXJMPCPNOK-HIFRSBDPSA-N 2 0 266.454 2.988 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422838856 529042466 /nfs/dbraw/zinc/04/24/66/529042466.db2.gz YIXRZVFRBICJDH-RHSMWYFYSA-N 2 0 276.424 2.701 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422827146 529043430 /nfs/dbraw/zinc/04/34/30/529043430.db2.gz DFRLQFBWYYLYBP-IRXDYDNUSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+]CCCc1c(F)cccc1Cl ZINC000414787254 529067698 /nfs/dbraw/zinc/06/76/98/529067698.db2.gz CBUXTRCORMGOEP-CQSZACIVSA-N 2 0 272.795 2.985 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423284122 529067852 /nfs/dbraw/zinc/06/78/52/529067852.db2.gz XTTJLAOFRWFRNC-OAHLLOKOSA-N 2 0 297.393 2.507 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423280438 529071773 /nfs/dbraw/zinc/07/17/73/529071773.db2.gz UEMQKCMCVRXXBL-CWRNSKLLSA-N 2 0 261.413 2.681 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414804861 529072196 /nfs/dbraw/zinc/07/21/96/529072196.db2.gz XXVGZQIRXKOTPG-ZACQAIPSSA-N 2 0 260.425 2.971 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423335362 529158458 /nfs/dbraw/zinc/15/84/58/529158458.db2.gz GEIJMSHBWYSSGC-OAHLLOKOSA-N 2 0 266.335 2.925 20 0 CFADRP CC[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422770307 529161698 /nfs/dbraw/zinc/16/16/98/529161698.db2.gz VZHSWFRNYIWLQZ-SJORKVTESA-N 2 0 275.440 2.633 20 0 CFADRP CC[C@@H]([NH2+]CCCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422739770 529163066 /nfs/dbraw/zinc/16/30/66/529163066.db2.gz MEJSDAAVWVDHAT-SJORKVTESA-N 2 0 276.424 2.748 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1OC ZINC000423243037 529168887 /nfs/dbraw/zinc/16/88/87/529168887.db2.gz GCHKWHJTSMZIIL-UKRRQHHQSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423104914 529170011 /nfs/dbraw/zinc/17/00/11/529170011.db2.gz QPTNACCPLDJGJL-WBVHZDCISA-N 2 0 271.408 2.831 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423310912 529177435 /nfs/dbraw/zinc/17/74/35/529177435.db2.gz SOXXCZBFTNGBLV-TZMCWYRMSA-N 2 0 250.386 2.639 20 0 CFADRP CC[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422909025 529178306 /nfs/dbraw/zinc/17/83/06/529178306.db2.gz NIXMFZDEGOLTIZ-JQHSSLGASA-N 2 0 289.467 2.627 20 0 CFADRP CC[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422743984 529183568 /nfs/dbraw/zinc/18/35/68/529183568.db2.gz JLGXYDGUTLILGT-SJORKVTESA-N 2 0 293.430 2.508 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000423108758 529207234 /nfs/dbraw/zinc/20/72/34/529207234.db2.gz ROLHBUGDLHNVBJ-LSDHHAIUSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422909337 529216792 /nfs/dbraw/zinc/21/67/92/529216792.db2.gz NUNKJNKLEUQRIV-HRCADAONSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422727337 529274327 /nfs/dbraw/zinc/27/43/27/529274327.db2.gz HFAZENOIONRUJA-PMPSAXMXSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000421367614 529318001 /nfs/dbraw/zinc/31/80/01/529318001.db2.gz FFCWAFLDWFJVSC-LBDPXKHJSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000425999158 529336792 /nfs/dbraw/zinc/33/67/92/529336792.db2.gz BUXGRHVQTFOHTP-OIISXLGYSA-N 2 0 258.409 2.674 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1C ZINC000422919056 529368451 /nfs/dbraw/zinc/36/84/51/529368451.db2.gz JABWUICEZNWMFN-SOUVJXGZSA-N 2 0 264.413 2.868 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)CF)CC1 ZINC000342193298 534937215 /nfs/dbraw/zinc/93/72/15/534937215.db2.gz AEAVUGFEBNKRQV-OAHLLOKOSA-N 2 0 293.430 2.666 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)CF)CC1 ZINC000342193295 534937377 /nfs/dbraw/zinc/93/73/77/534937377.db2.gz AEAVUGFEBNKRQV-HNNXBMFYSA-N 2 0 293.430 2.666 20 0 CFADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447600640 534957333 /nfs/dbraw/zinc/95/73/33/534957333.db2.gz MRXWKYQGVYXHHF-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(O)CCCC1 ZINC000449737548 535153559 /nfs/dbraw/zinc/15/35/59/535153559.db2.gz SCSLPEKAPXKUMT-HUUCEWRRSA-N 2 0 280.456 2.534 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000495082122 535496299 /nfs/dbraw/zinc/49/62/99/535496299.db2.gz VMHHKYHXGAQARS-HNNXBMFYSA-N 2 0 270.486 2.793 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCC2CCCC2)CC1 ZINC000451997728 535672488 /nfs/dbraw/zinc/67/24/88/535672488.db2.gz ZPUBMVRBPTYHPI-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453091742 535693713 /nfs/dbraw/zinc/69/37/13/535693713.db2.gz SFPDBQYWLXHPBW-SFHVURJKSA-N 2 0 293.499 2.572 20 0 CFADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000453108940 535703541 /nfs/dbraw/zinc/70/35/41/535703541.db2.gz LRQYUCNSJSSSBZ-SJORKVTESA-N 2 0 282.472 2.782 20 0 CFADRP CC[N@H+](CCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435615804 535725279 /nfs/dbraw/zinc/72/52/79/535725279.db2.gz QKBMOARXDJCVME-INIZCTEOSA-N 2 0 276.424 2.920 20 0 CFADRP CC[N@H+](CCN(C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435613466 535727567 /nfs/dbraw/zinc/72/75/67/535727567.db2.gz JZWKEHWMCQNZPZ-KRWDZBQOSA-N 2 0 275.440 2.587 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]([NH+](C)C)C3)c2c1 ZINC000450311142 535833600 /nfs/dbraw/zinc/83/36/00/535833600.db2.gz YQNBSYLTNKEWMM-CQSZACIVSA-N 2 0 269.392 2.938 20 0 CFADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC000449667392 536028623 /nfs/dbraw/zinc/02/86/23/536028623.db2.gz FTIBBDZHJXDXTO-UHFFFAOYSA-N 2 0 295.386 2.604 20 0 CFADRP CCc1cc(NCC[N@@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000450267464 536088605 /nfs/dbraw/zinc/08/86/05/536088605.db2.gz BZFZVSFHRQHURI-UHFFFAOYSA-N 2 0 287.432 2.598 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443066443 536169035 /nfs/dbraw/zinc/16/90/35/536169035.db2.gz FAAZUGMJLOOTLI-QGZVFWFLSA-N 2 0 260.425 2.852 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000341878844 536370995 /nfs/dbraw/zinc/37/09/95/536370995.db2.gz SFRGWESBPNFAHX-KSZLIROESA-N 2 0 288.435 2.838 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000459743151 536384333 /nfs/dbraw/zinc/38/43/33/536384333.db2.gz WNEPQJYCSAFEKN-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459567303 536390244 /nfs/dbraw/zinc/39/02/44/536390244.db2.gz VLQIEHSJHKPCMA-YOEHRIQHSA-N 2 0 296.455 2.524 20 0 CFADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cnc(C)s2)C1 ZINC000090404242 545500962 /nfs/dbraw/zinc/50/09/62/545500962.db2.gz IAHBGUOIDKWQKK-WCQYABFASA-N 2 0 267.442 2.834 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246106192 545529257 /nfs/dbraw/zinc/52/92/57/545529257.db2.gz MLQKFQKFWCRIJV-GOEBONIOSA-N 2 0 275.440 2.951 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC(C)C ZINC000666855323 545558902 /nfs/dbraw/zinc/55/89/02/545558902.db2.gz LYGQLJJQQUEXFC-OAHLLOKOSA-N 2 0 292.423 2.714 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000152924195 574050156 /nfs/dbraw/zinc/05/01/56/574050156.db2.gz QJGNFPDKYINENO-XJKSGUPXSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000727469045 574052606 /nfs/dbraw/zinc/05/26/06/574052606.db2.gz OWNOUDNCLUQLJF-UHFFFAOYSA-N 2 0 288.391 2.900 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000756107245 574209677 /nfs/dbraw/zinc/20/96/77/574209677.db2.gz PONKWSWIHHDOOG-QAPCUYQASA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H]([NH2+][C@@H]1COCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396440192 574292253 /nfs/dbraw/zinc/29/22/53/574292253.db2.gz KPKFCPCCLXNUOK-SUMWQHHRSA-N 2 0 274.408 2.578 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000396445584 574355234 /nfs/dbraw/zinc/35/52/34/574355234.db2.gz PEXUZCCMNPRCAZ-AWEZNQCLSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CC[NH+](C)CC1 ZINC000396445385 574355322 /nfs/dbraw/zinc/35/53/22/574355322.db2.gz DHXQWACDBWPDKB-LCGIIJARSA-N 2 0 280.456 2.510 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000396491239 574355552 /nfs/dbraw/zinc/35/55/52/574355552.db2.gz NGZMPSWFOGGFFV-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP OCCCCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000743841261 574373331 /nfs/dbraw/zinc/37/33/31/574373331.db2.gz RTDYYSODTPKMDT-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccco1 ZINC000753362959 574401839 /nfs/dbraw/zinc/40/18/39/574401839.db2.gz HIPYTEREBWXODT-GFCCVEGCSA-N 2 0 268.320 2.711 20 0 CFADRP [NH3+]CCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000145652697 617969289 /nfs/dbraw/zinc/96/92/89/617969289.db2.gz VEXAEQCQKRMMDV-LBPRGKRZSA-N 2 0 272.314 2.844 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000158173476 618033964 /nfs/dbraw/zinc/03/39/64/618033964.db2.gz ODBPFEFUCYRVDP-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000235092135 618079311 /nfs/dbraw/zinc/07/93/11/618079311.db2.gz UEGASXJETONLIX-CHWSQXEVSA-N 2 0 256.459 2.912 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000394038559 617621959 /nfs/dbraw/zinc/62/19/59/617621959.db2.gz BWOQHKUKZKELEX-AWEZNQCLSA-N 2 0 268.401 2.589 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1OC ZINC000094009872 617684456 /nfs/dbraw/zinc/68/44/56/617684456.db2.gz RMOAARMTGKEGFO-HNNXBMFYSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000891611966 617685933 /nfs/dbraw/zinc/68/59/33/617685933.db2.gz DZQNWXVPBDOJDW-UHFFFAOYSA-N 2 0 292.471 2.854 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCCCCO)C2)CC1 ZINC000175755693 617688072 /nfs/dbraw/zinc/68/80/72/617688072.db2.gz LACHHNAGGLLQKT-GOSISDBHSA-N 2 0 296.499 2.983 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000234683832 617713895 /nfs/dbraw/zinc/71/38/95/617713895.db2.gz DMJLMDCLTFWCDE-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000891735377 617733255 /nfs/dbraw/zinc/73/32/55/617733255.db2.gz ICRPAIZFDHAMRE-JFIYKMOQSA-N 2 0 293.499 2.665 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@]2(C)C1 ZINC000933733451 617761908 /nfs/dbraw/zinc/76/19/08/617761908.db2.gz JQRNMZSDIUFCFA-QPLDTRMYSA-N 2 0 270.420 2.973 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933878556 617804134 /nfs/dbraw/zinc/80/41/34/617804134.db2.gz LNLCSOXQONUSQE-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCc3ccccc3C2)CC1 ZINC000891931938 617833114 /nfs/dbraw/zinc/83/31/14/617833114.db2.gz QDQNIQOHHAGPNJ-UHFFFAOYSA-N 2 0 258.409 2.777 20 0 CFADRP Cc1ccsc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000094879680 617860158 /nfs/dbraw/zinc/86/01/58/617860158.db2.gz UIXLEUUAHQYGAC-UHFFFAOYSA-N 2 0 260.406 2.848 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2nccc3c2CCCC3)C1 ZINC000892144670 617973158 /nfs/dbraw/zinc/97/31/58/617973158.db2.gz OCGJQGJTOKMFJH-HNNXBMFYSA-N 2 0 287.451 2.734 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000892224578 618014299 /nfs/dbraw/zinc/01/42/99/618014299.db2.gz XTKRRXNGYOADJP-CVEARBPZSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(F)ccc1F ZINC000051693655 618048879 /nfs/dbraw/zinc/04/88/79/618048879.db2.gz XTXMQUPQGFFYET-OIKLOGQESA-N 2 0 254.324 2.885 20 0 CFADRP CCCNC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848996961 618057968 /nfs/dbraw/zinc/05/79/68/618057968.db2.gz AFMXNIZXHMKSTC-UHFFFAOYSA-N 2 0 268.449 2.557 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@@H]1CCC=CO1)C1CCCCC1 ZINC000050269366 618105619 /nfs/dbraw/zinc/10/56/19/618105619.db2.gz CHBHIAHWTHCMMY-INIZCTEOSA-N 2 0 266.429 2.923 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261641258 618122877 /nfs/dbraw/zinc/12/28/77/618122877.db2.gz WZYKYQLDPNBCRM-HUUCEWRRSA-N 2 0 262.397 2.784 20 0 CFADRP CCc1nc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000262245590 618137889 /nfs/dbraw/zinc/13/78/89/618137889.db2.gz PPBVGEXPWWJJNB-BFHYXJOUSA-N 2 0 279.453 2.716 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435286 618165398 /nfs/dbraw/zinc/16/53/98/618165398.db2.gz TZHUVYCQBQRUMS-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP CC(C)C[C@@H]1C[N@H+](C)CCN1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000933249561 618175288 /nfs/dbraw/zinc/17/52/88/618175288.db2.gz COYGOYJFBLHWSK-OKZBNKHCSA-N 2 0 295.515 2.626 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000308399975 618201299 /nfs/dbraw/zinc/20/12/99/618201299.db2.gz VTFWTQOSMWNKBR-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000308387370 618207570 /nfs/dbraw/zinc/20/75/70/618207570.db2.gz FUWQVAMQCXXBBV-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CNc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000309570307 618208369 /nfs/dbraw/zinc/20/83/69/618208369.db2.gz KDKAMTBKVHOSMQ-UHFFFAOYSA-N 2 0 297.406 2.595 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926560080 618208811 /nfs/dbraw/zinc/20/88/11/618208811.db2.gz RBJQZFYOVAQAKN-CKEIUWERSA-N 2 0 276.424 2.966 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](C3CC3)C3CCOCC3)ccc12 ZINC000926567372 618214140 /nfs/dbraw/zinc/21/41/40/618214140.db2.gz LKDAXKBFCSBFOL-KRWDZBQOSA-N 2 0 285.391 2.629 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cn2c(n1)CCCC2 ZINC000926605032 618230305 /nfs/dbraw/zinc/23/03/05/618230305.db2.gz AJQLVJBPPZJAPE-NFOMZHRRSA-N 2 0 290.455 2.743 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000893940989 618247228 /nfs/dbraw/zinc/24/72/28/618247228.db2.gz MMOBHFUBIQBPAE-GFCCVEGCSA-N 2 0 278.362 2.991 20 0 CFADRP CC[N@@H+]1CCCN(c2cc[nH+]c(C)c2Br)CC1 ZINC000892425706 618254892 /nfs/dbraw/zinc/25/48/92/618254892.db2.gz OSEZLJKZINRQKK-UHFFFAOYSA-N 2 0 298.228 2.685 20 0 CFADRP Cc1ccnc(N)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000893967452 618255168 /nfs/dbraw/zinc/25/51/68/618255168.db2.gz MBWLPYOMYHDABA-UHFFFAOYSA-N 2 0 290.455 2.524 20 0 CFADRP Cc1coc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000893969643 618255389 /nfs/dbraw/zinc/25/53/89/618255389.db2.gz OALCFBXJYDPAHW-UHFFFAOYSA-N 2 0 250.386 2.752 20 0 CFADRP C[NH+](C)CCC[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000892427402 618257446 /nfs/dbraw/zinc/25/74/46/618257446.db2.gz PSZZCAFJBRNXAE-UHFFFAOYSA-N 2 0 290.329 2.669 20 0 CFADRP C[C@@H](O)CC(C)(C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925576674 618259847 /nfs/dbraw/zinc/25/98/47/618259847.db2.gz YQESSIYNACPFPL-GDBMZVCRSA-N 2 0 278.440 2.853 20 0 CFADRP CCN1CCCC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925576935 618260138 /nfs/dbraw/zinc/26/01/38/618260138.db2.gz ZEMYMZDRWWVCMP-ROUUACIJSA-N 2 0 289.467 2.931 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000309996017 618260616 /nfs/dbraw/zinc/26/06/16/618260616.db2.gz BSTQWEFFVPWVKC-IRXDYDNUSA-N 2 0 276.424 2.666 20 0 CFADRP CCCCOC(=O)CC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000177051601 618265560 /nfs/dbraw/zinc/26/55/60/618265560.db2.gz XTNJHVDPOKBUHP-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP C[N@H+](Cc1ncccc1Br)C1CCC([NH3+])CC1 ZINC000310334736 618283392 /nfs/dbraw/zinc/28/33/92/618283392.db2.gz KYYKLMWTMLGACF-UHFFFAOYSA-N 2 0 298.228 2.546 20 0 CFADRP CS[C@H](C)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925601557 618288519 /nfs/dbraw/zinc/28/85/19/618288519.db2.gz MFQXZBBUWDRMRE-CYBMUJFWSA-N 2 0 258.475 2.838 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2C[C@]2(C)Br)CC1 ZINC000894037371 618291854 /nfs/dbraw/zinc/29/18/54/618291854.db2.gz JEUZMEIDMWNOSA-UPJWGTAASA-N 2 0 289.261 2.576 20 0 CFADRP CC(C)[C@H](CN[C@@H](c1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000925604855 618292748 /nfs/dbraw/zinc/29/27/48/618292748.db2.gz AVCCRWQWVYSMPM-BPQIPLTHSA-N 2 0 289.467 2.785 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607512 618298882 /nfs/dbraw/zinc/29/88/82/618298882.db2.gz CFXLVHASYAEPPC-BPLDGKMQSA-N 2 0 276.424 2.819 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000262128739 618302052 /nfs/dbraw/zinc/30/20/52/618302052.db2.gz XXSSTLFHFBYKES-UHFFFAOYSA-N 2 0 292.398 2.800 20 0 CFADRP Cc1nc(C[NH2+]CC2CC[NH+](C3CC3)CC2)sc1C ZINC000894066886 618303555 /nfs/dbraw/zinc/30/35/55/618303555.db2.gz GXMGOPXXSGHGCB-UHFFFAOYSA-N 2 0 279.453 2.724 20 0 CFADRP CCO[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000894069056 618304907 /nfs/dbraw/zinc/30/49/07/618304907.db2.gz TYUDNTSCUMBWBW-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)[C@@H]2CCCOCC2)CC1 ZINC000895110481 618306165 /nfs/dbraw/zinc/30/61/65/618306165.db2.gz MYSPMURMUOKJDJ-BZUAXINKSA-N 2 0 289.423 2.727 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611363 618309506 /nfs/dbraw/zinc/30/95/06/618309506.db2.gz LQKKGUBYUJSEDP-QLFBSQMISA-N 2 0 282.472 2.684 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000223563357 618319994 /nfs/dbraw/zinc/31/99/94/618319994.db2.gz DFUKIMGFZSPOOQ-UHFFFAOYSA-N 2 0 270.486 2.840 20 0 CFADRP CSc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925617102 618324909 /nfs/dbraw/zinc/32/49/09/618324909.db2.gz USYISZCIKITYFU-STQMWFEESA-N 2 0 279.453 2.799 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925620550 618334869 /nfs/dbraw/zinc/33/48/69/618334869.db2.gz HPJADLAKNWROCR-KBRIMQKVSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@H]1CCCN1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925622016 618339804 /nfs/dbraw/zinc/33/98/04/618339804.db2.gz IEBYSIZDGHTWBK-RDJZCZTQSA-N 3 0 275.440 2.541 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000925622588 618340998 /nfs/dbraw/zinc/34/09/98/618340998.db2.gz RCIFSVUXXYZHDR-WMLDXEAASA-N 2 0 289.467 2.927 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893321389 618341324 /nfs/dbraw/zinc/34/13/24/618341324.db2.gz BSLUOYCHXCTSGL-CQSZACIVSA-N 2 0 292.471 2.898 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000925623862 618344299 /nfs/dbraw/zinc/34/42/99/618344299.db2.gz UHTAEDIQGRUPMH-RBUKOAKNSA-N 2 0 298.430 2.832 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925627959 618352723 /nfs/dbraw/zinc/35/27/23/618352723.db2.gz CFPQOACIFVQQCV-YOEHRIQHSA-N 2 0 288.435 2.748 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925629911 618356966 /nfs/dbraw/zinc/35/69/66/618356966.db2.gz MNROMKQNNWAGHZ-CQDKDKBSSA-N 2 0 259.397 2.565 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925636512 618370798 /nfs/dbraw/zinc/37/07/98/618370798.db2.gz TTZVPONPDJTRND-BBWFWOEESA-N 2 0 294.483 2.541 20 0 CFADRP C(COCC1CCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925638212 618371706 /nfs/dbraw/zinc/37/17/06/618371706.db2.gz BOQGBOXZCBWHTC-IRXDYDNUSA-N 2 0 280.456 2.561 20 0 CFADRP C(COCC1CCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925638213 618372610 /nfs/dbraw/zinc/37/26/10/618372610.db2.gz BOQGBOXZCBWHTC-SJORKVTESA-N 2 0 280.456 2.561 20 0 CFADRP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894142726 618391919 /nfs/dbraw/zinc/39/19/19/618391919.db2.gz QCOMKFIZRWTJPC-JQWIXIFHSA-N 2 0 264.335 2.601 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nccs1 ZINC000925647445 618393771 /nfs/dbraw/zinc/39/37/71/618393771.db2.gz CAVSIPXXCCYPLN-RNJOBUHISA-N 2 0 279.453 2.613 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000894144101 618393816 /nfs/dbraw/zinc/39/38/16/618393816.db2.gz MTMHCVADQDDRGS-QZTJIDSGSA-N 2 0 290.451 2.820 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000311051233 618401802 /nfs/dbraw/zinc/40/18/02/618401802.db2.gz QSBUOKAPOAOZTB-ZNMIVQPWSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc[nH]3)cc2)C1 ZINC000894174979 618427086 /nfs/dbraw/zinc/42/70/86/618427086.db2.gz ACKDIDFUVKTZBY-HNNXBMFYSA-N 2 0 298.434 2.931 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261778100 618427120 /nfs/dbraw/zinc/42/71/20/618427120.db2.gz FGYKVRIRRDDDNF-HUUCEWRRSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894180815 618430456 /nfs/dbraw/zinc/43/04/56/618430456.db2.gz QUJUZZCJXAOUSM-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP c1ccc(C2CC(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)cc1 ZINC000925665846 618433228 /nfs/dbraw/zinc/43/32/28/618433228.db2.gz MXIOJTUGJOAUON-HMEQGIRZSA-N 2 0 282.431 2.766 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)C[C@@H]([NH3+])C1 ZINC000925668892 618437107 /nfs/dbraw/zinc/43/71/07/618437107.db2.gz LKQJZQZBRBGIJO-MCIONIFRSA-N 2 0 274.408 2.658 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000925669809 618440179 /nfs/dbraw/zinc/44/01/79/618440179.db2.gz FJXRGFKGDSVAPB-NXEZZACHSA-N 2 0 264.335 2.825 20 0 CFADRP CC1=C(Br)C[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000894201964 618441978 /nfs/dbraw/zinc/44/19/78/618441978.db2.gz UIHQQUWPVCMENX-UHFFFAOYSA-N 2 0 287.245 2.703 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000925671166 618442388 /nfs/dbraw/zinc/44/23/88/618442388.db2.gz BKJRXGQACRDJJP-RYUDHWBXSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925677927 618454699 /nfs/dbraw/zinc/45/46/99/618454699.db2.gz RIFJTLSFRNVJHC-NCOADZHNSA-N 2 0 294.483 2.541 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(Cl)Cl ZINC000925681843 618463243 /nfs/dbraw/zinc/46/32/43/618463243.db2.gz QWPYYWTVLMIBSV-BLFANLJRSA-N 2 0 291.266 2.937 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925682568 618465496 /nfs/dbraw/zinc/46/54/96/618465496.db2.gz CSSYQYCPKBMVNV-LSDHHAIUSA-N 2 0 275.440 2.818 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924561040 618466088 /nfs/dbraw/zinc/46/60/88/618466088.db2.gz SVCVDPXPLJBSSD-MAUKXSAKSA-N 2 0 289.467 2.883 20 0 CFADRP Cc1cccnc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925683533 618467763 /nfs/dbraw/zinc/46/77/63/618467763.db2.gz RRAXZWWTLGMYOG-WMZOPIPTSA-N 2 0 287.451 2.690 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925683735 618468184 /nfs/dbraw/zinc/46/81/84/618468184.db2.gz VFXBJUGOXGASEG-UHDSXZAQSA-N 2 0 294.483 2.804 20 0 CFADRP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)C1CCCCC1 ZINC000066245363 618471351 /nfs/dbraw/zinc/47/13/51/618471351.db2.gz ZWLDQFBXWNZVOM-OAHLLOKOSA-N 2 0 280.460 2.553 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1 ZINC000925684589 618474826 /nfs/dbraw/zinc/47/48/26/618474826.db2.gz IGNUHQJUMXZVFG-ROUUACIJSA-N 2 0 287.451 2.690 20 0 CFADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1(C2CCC2)CCC1 ZINC000925685417 618478548 /nfs/dbraw/zinc/47/85/48/618478548.db2.gz MULDJUOOORWIBW-FHXAZYNBSA-N 2 0 260.425 2.543 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895290229 618512731 /nfs/dbraw/zinc/51/27/31/618512731.db2.gz DHKMDBYEDSAVTH-FMKPAKJESA-N 2 0 264.413 2.692 20 0 CFADRP C[C@@H](CCNC/C=C/c1ccc(F)cc1F)[NH+](C)C ZINC000895294030 618513214 /nfs/dbraw/zinc/51/32/14/618513214.db2.gz NRZZLIJPHMINCE-ITKZLYELSA-N 2 0 268.351 2.908 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CCOCc1ccccc1)[NH+](C)C ZINC000895290439 618513337 /nfs/dbraw/zinc/51/33/37/618513337.db2.gz IQDKAIHZKUPIOZ-JKSUJKDBSA-N 2 0 278.440 2.912 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895295033 618514019 /nfs/dbraw/zinc/51/40/19/618514019.db2.gz YNHBEWMHJVGJKB-KGLIPLIRSA-N 2 0 292.423 2.666 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc2cccnc12 ZINC000895295019 618514146 /nfs/dbraw/zinc/51/41/46/618514146.db2.gz YIRVHMRZTCOAIX-AWEZNQCLSA-N 2 0 271.408 2.973 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccoc2)c1 ZINC000727466939 618542457 /nfs/dbraw/zinc/54/24/57/618542457.db2.gz JPYNHUVVNJKIBH-UHFFFAOYSA-N 2 0 274.364 2.510 20 0 CFADRP COc1ccc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895378628 618557749 /nfs/dbraw/zinc/55/77/49/618557749.db2.gz RFPZXGKCCOMPEC-GDBMZVCRSA-N 2 0 291.439 2.642 20 0 CFADRP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000895375856 618558477 /nfs/dbraw/zinc/55/84/77/618558477.db2.gz FCZMEKKOJQIWAX-BBRMVZONSA-N 2 0 291.439 2.648 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccns1 ZINC000926730814 618612426 /nfs/dbraw/zinc/61/24/26/618612426.db2.gz CJFJXFCWZOMOGT-GFCCVEGCSA-N 2 0 279.453 2.916 20 0 CFADRP CCC(CC)[C@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000892535284 618617289 /nfs/dbraw/zinc/61/72/89/618617289.db2.gz IXQRZZPHBOKGIQ-SFHVURJKSA-N 3 0 295.515 2.818 20 0 CFADRP CC(C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000892563835 618634607 /nfs/dbraw/zinc/63/46/07/618634607.db2.gz GYTUXWUOERYCRR-SFHVURJKSA-N 2 0 295.515 2.674 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000892586567 618643714 /nfs/dbraw/zinc/64/37/14/618643714.db2.gz LNMYANASOOGNQC-JKSUJKDBSA-N 2 0 280.362 2.724 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000892586565 618643787 /nfs/dbraw/zinc/64/37/87/618643787.db2.gz LNMYANASOOGNQC-HOTGVXAUSA-N 2 0 280.362 2.724 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000926769021 618654855 /nfs/dbraw/zinc/65/48/55/618654855.db2.gz YGDVUBOUDCDLFD-SJORKVTESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1(Br)CC1 ZINC000924578989 618655552 /nfs/dbraw/zinc/65/55/52/618655552.db2.gz SIXMRSJKCBYDFR-GFCCVEGCSA-N 2 0 289.261 2.768 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]CCc2ccc(C)c(C)c2)C1 ZINC000892614799 618655608 /nfs/dbraw/zinc/65/56/08/618655608.db2.gz UWQDIRFEONMPQG-QGZVFWFLSA-N 2 0 260.425 2.777 20 0 CFADRP COc1ccc(CN(C)C[C@H](C)[NH3+])c2ccccc12 ZINC000311426204 618711129 /nfs/dbraw/zinc/71/11/29/618711129.db2.gz GARNKRAEEPAMKM-LBPRGKRZSA-N 2 0 258.365 2.627 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCOc2ccc(F)cc2)CC1 ZINC000892742309 618737439 /nfs/dbraw/zinc/73/74/39/618737439.db2.gz QSXAKFADWFSXSX-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP CC(C)COC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccco1 ZINC000892782240 618745422 /nfs/dbraw/zinc/74/54/22/618745422.db2.gz MAEPJBPMFWWPMX-INIZCTEOSA-N 2 0 294.439 2.925 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924604784 618746510 /nfs/dbraw/zinc/74/65/10/618746510.db2.gz AMGZMWFVJBLDIF-QZTJIDSGSA-N 2 0 290.451 2.899 20 0 CFADRP Cc1ccccc1C1(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000892810293 618749933 /nfs/dbraw/zinc/74/99/33/618749933.db2.gz BHGPOSVXAGQZSG-UHFFFAOYSA-N 2 0 272.436 2.958 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000311949879 618772414 /nfs/dbraw/zinc/77/24/14/618772414.db2.gz LEUCUEQIHOWOGB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000892944902 618776781 /nfs/dbraw/zinc/77/67/81/618776781.db2.gz WQWDLNOFMHFAFZ-INIZCTEOSA-N 2 0 258.409 2.648 20 0 CFADRP Cc1cccc2c(CC[NH2+]CC3CC[NH+](C)CC3)c[nH]c21 ZINC000893020352 618806127 /nfs/dbraw/zinc/80/61/27/618806127.db2.gz VJSHKRZFBZMHIG-UHFFFAOYSA-N 2 0 285.435 2.950 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(F)cc2C)CC1 ZINC000893066483 618818996 /nfs/dbraw/zinc/81/89/96/618818996.db2.gz JGSXGMICMNMARH-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925504417 618832688 /nfs/dbraw/zinc/83/26/88/618832688.db2.gz MPDDJMDAGSBDNF-ZENOOKHLSA-N 2 0 288.439 2.658 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925509429 618843754 /nfs/dbraw/zinc/84/37/54/618843754.db2.gz WJIPPDNGHGFJBF-NKKGCODLSA-N 2 0 288.435 2.606 20 0 CFADRP Cc1ccccc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925509887 618845608 /nfs/dbraw/zinc/84/56/08/618845608.db2.gz PIYVBIBATGYTDK-PMPSAXMXSA-N 2 0 258.409 2.861 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925513027 618852305 /nfs/dbraw/zinc/85/23/05/618852305.db2.gz GYWNWPDFNFWWPZ-FVQBIDKESA-N 2 0 274.408 2.622 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925514233 618852905 /nfs/dbraw/zinc/85/29/05/618852905.db2.gz MSPZQLAHSVDKCF-YVSFHVDLSA-N 2 0 293.499 2.617 20 0 CFADRP CO[C@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925514905 618853478 /nfs/dbraw/zinc/85/34/78/618853478.db2.gz GXYUOABHYWZHBR-CABCVRRESA-N 2 0 294.826 2.902 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000925515989 618854439 /nfs/dbraw/zinc/85/44/39/618854439.db2.gz BGDVJTPZJCUFRR-YJBOKZPZSA-N 2 0 287.451 2.513 20 0 CFADRP COc1ccc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925515539 618854567 /nfs/dbraw/zinc/85/45/67/618854567.db2.gz UIAAQVPNGRKITQ-ZIAGYGMSSA-N 2 0 292.423 2.570 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000925523665 618865223 /nfs/dbraw/zinc/86/52/23/618865223.db2.gz NFHQEODPCZRRBD-LSDHHAIUSA-N 2 0 276.424 2.951 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cn3ccnc3s2)CC1 ZINC000893187460 618872430 /nfs/dbraw/zinc/87/24/30/618872430.db2.gz QNQFVMYOVRHROK-UHFFFAOYSA-N 2 0 292.452 2.606 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC[C@@H]1O ZINC000925532217 618884919 /nfs/dbraw/zinc/88/49/19/618884919.db2.gz VHTFVJPUZPVUFT-XWTMOSNGSA-N 2 0 294.483 2.686 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925532874 618886124 /nfs/dbraw/zinc/88/61/24/618886124.db2.gz YJKNBYLFJCBOKJ-CRWXNKLISA-N 2 0 268.470 2.910 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925534949 618887520 /nfs/dbraw/zinc/88/75/20/618887520.db2.gz ALXNDGXEHMMULP-GDBMZVCRSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925536424 618890645 /nfs/dbraw/zinc/89/06/45/618890645.db2.gz OZVYXEFPWPSMQG-CRAIPNDOSA-N 2 0 289.467 2.785 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](O)c2ccco2)CC1 ZINC000183146501 618903378 /nfs/dbraw/zinc/90/33/78/618903378.db2.gz PCRDXICPKZAPIP-ZFWWWQNUSA-N 2 0 280.412 2.556 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925546361 618907344 /nfs/dbraw/zinc/90/73/44/618907344.db2.gz KHIUFHMMFLRHLX-PMPSAXMXSA-N 2 0 294.389 2.874 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1(Cl)Cl ZINC000925689286 618931977 /nfs/dbraw/zinc/93/19/77/618931977.db2.gz HRGRKWLBXYKADG-PJGZEUCASA-N 2 0 289.250 2.546 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1(Cl)Cl ZINC000925689284 618932107 /nfs/dbraw/zinc/93/21/07/618932107.db2.gz HRGRKWLBXYKADG-NFXCPBFJSA-N 2 0 289.250 2.546 20 0 CFADRP CCc1ncc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000925692057 618937285 /nfs/dbraw/zinc/93/72/85/618937285.db2.gz YRZVAPNKITUBNE-HNNXBMFYSA-N 2 0 273.380 2.807 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F)[NH2+]2 ZINC000925698002 618951175 /nfs/dbraw/zinc/95/11/75/618951175.db2.gz ZWILBNWNYKYCCL-NZAAQYHGSA-N 2 0 274.383 2.800 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C12CCC2 ZINC000925701934 618954938 /nfs/dbraw/zinc/95/49/38/618954938.db2.gz ILAPQADWDDXIKC-AXFHLTTASA-N 2 0 277.239 2.820 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C12CCC2 ZINC000925701935 618955064 /nfs/dbraw/zinc/95/50/64/618955064.db2.gz ILAPQADWDDXIKC-GMTAPVOTSA-N 2 0 277.239 2.820 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925705133 618959497 /nfs/dbraw/zinc/95/94/97/618959497.db2.gz HUQGCBYTRKBDPT-MSOLQXFVSA-N 2 0 287.451 2.835 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925706589 618961443 /nfs/dbraw/zinc/96/14/43/618961443.db2.gz MZKPWPJQIKEQIT-CQSZACIVSA-N 2 0 277.799 2.574 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925707524 618961958 /nfs/dbraw/zinc/96/19/58/618961958.db2.gz OXCVPBRLQJHQOX-WCXIOVBPSA-N 2 0 285.435 2.622 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CCC(F)CC1 ZINC000925708312 618962224 /nfs/dbraw/zinc/96/22/24/618962224.db2.gz SESJWMCVMFYNBK-ASUPZPJHSA-N 2 0 254.393 2.763 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925708482 618962874 /nfs/dbraw/zinc/96/28/74/618962874.db2.gz MHIJJPZLASFDNA-IAGOWNOFSA-N 2 0 283.419 2.580 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCCCO1 ZINC000925709884 618963744 /nfs/dbraw/zinc/96/37/44/618963744.db2.gz AJKHRQSEQGLUKP-APIJFGDWSA-N 2 0 268.445 2.830 20 0 CFADRP CCSC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925709774 618963953 /nfs/dbraw/zinc/96/39/53/618963953.db2.gz VSHWRPPTCQLYBI-AGIUHOORSA-N 2 0 268.470 2.638 20 0 CFADRP COC1CC(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925711182 618965262 /nfs/dbraw/zinc/96/52/62/618965262.db2.gz DREGQFOZPHXLMT-PREGVCBESA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)O1 ZINC000925711688 618965382 /nfs/dbraw/zinc/96/53/82/618965382.db2.gz VDULYPFVRAWXLS-MWQQHZPXSA-N 2 0 280.456 2.702 20 0 CFADRP COC1CC(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925712738 618966888 /nfs/dbraw/zinc/96/68/88/618966888.db2.gz IRGNZQRMHUIVNE-KMZOKZLKSA-N 2 0 280.456 2.559 20 0 CFADRP Nc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925714055 618968900 /nfs/dbraw/zinc/96/89/00/618968900.db2.gz NGPDQQLXUKELGK-SJORKVTESA-N 2 0 273.424 2.527 20 0 CFADRP Nc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925714054 618969047 /nfs/dbraw/zinc/96/90/47/618969047.db2.gz NGPDQQLXUKELGK-IRXDYDNUSA-N 2 0 273.424 2.527 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925713986 618969221 /nfs/dbraw/zinc/96/92/21/618969221.db2.gz ZUUCUHBEZVOKGO-IXDOHACOSA-N 3 0 289.467 2.962 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[C@@H]([NH3+])C12CCC2)C1CCCCC1 ZINC000925714221 618969806 /nfs/dbraw/zinc/96/98/06/618969806.db2.gz XDEMVEGVPFOQJY-SJORKVTESA-N 2 0 293.499 2.891 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000925722093 618984371 /nfs/dbraw/zinc/98/43/71/618984371.db2.gz SVABNBQLYOAXRR-CFMPPFMSSA-N 2 0 277.239 2.676 20 0 CFADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1F ZINC000257670547 618988549 /nfs/dbraw/zinc/98/85/49/618988549.db2.gz IHOIJXARKRHZPF-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C[C@@H]([NH3+])C1 ZINC000925723582 618992658 /nfs/dbraw/zinc/99/26/58/618992658.db2.gz RKSZHTSGHRZJHA-IKGGRYGDSA-N 2 0 288.435 2.624 20 0 CFADRP c1ccc2c(c1)NC[C@H]2CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925724630 619002269 /nfs/dbraw/zinc/00/22/69/619002269.db2.gz BTLYWEYODOAALW-PBHICJAKSA-N 2 0 285.435 2.850 20 0 CFADRP C[C@H]1CCN(Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000253178589 619006745 /nfs/dbraw/zinc/00/67/45/619006745.db2.gz BYOVHGBJIWRWOK-WCQYABFASA-N 2 0 284.350 2.705 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451039 619024287 /nfs/dbraw/zinc/02/42/87/619024287.db2.gz PURDDQJDOACIOQ-ZNMIVQPWSA-N 2 0 264.438 2.801 20 0 CFADRP CS[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000893518088 619032528 /nfs/dbraw/zinc/03/25/28/619032528.db2.gz CSCILHYRIBDKFD-ZDUSSCGKSA-N 2 0 258.475 2.696 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925734351 619043993 /nfs/dbraw/zinc/04/39/93/619043993.db2.gz NZWBXQZAZFCGPB-RNJOBUHISA-N 2 0 288.357 2.991 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000925735261 619044809 /nfs/dbraw/zinc/04/48/09/619044809.db2.gz YECJACJNVAOOPC-NEPJUHHUSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1ccc(C(C)(C)[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000893580470 619078275 /nfs/dbraw/zinc/07/82/75/619078275.db2.gz KEBUOQAVMVMFSM-UHFFFAOYSA-N 2 0 261.413 2.557 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000925767880 619079027 /nfs/dbraw/zinc/07/90/27/619079027.db2.gz QVNNHLFNWHTZNG-IAGOWNOFSA-N 2 0 278.440 2.597 20 0 CFADRP Clc1cscc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925772966 619088852 /nfs/dbraw/zinc/08/88/52/619088852.db2.gz VSQOOVCGPCRKOC-JBLDHEPKSA-N 2 0 270.829 2.879 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925773180 619089262 /nfs/dbraw/zinc/08/92/62/619089262.db2.gz MGFJWEAXMVFYHS-NXOAAHMSSA-N 2 0 280.456 2.989 20 0 CFADRP CC1(C)CO[C@@H](CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925773310 619089960 /nfs/dbraw/zinc/08/99/60/619089960.db2.gz CKPCUQHUKSPFGL-RDBSUJKOSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)c2ccccc21 ZINC000925774917 619093840 /nfs/dbraw/zinc/09/38/40/619093840.db2.gz YADUSJCABDCIRQ-TWMKSMIVSA-N 2 0 272.392 2.823 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000925777876 619099206 /nfs/dbraw/zinc/09/92/06/619099206.db2.gz HTCHEKIATKEBGD-JSGCOSHPSA-N 2 0 266.335 2.508 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOC(C)(C)C)CC1 ZINC000925778661 619099830 /nfs/dbraw/zinc/09/98/30/619099830.db2.gz KEGBNBMBOHHUMX-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000925783243 619107020 /nfs/dbraw/zinc/10/70/20/619107020.db2.gz DQAUHZSKZNRGBR-ZLDLUXBVSA-N 2 0 250.361 2.722 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(C)ccc1OC ZINC000925783981 619109113 /nfs/dbraw/zinc/10/91/13/619109113.db2.gz HIUJZWQPUJNIDL-YCPHGPKFSA-N 2 0 276.424 2.900 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785423 619110364 /nfs/dbraw/zinc/11/03/64/619110364.db2.gz NIFUHHZCQBWHRW-FUCBWJFKSA-N 2 0 288.435 2.632 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000925788932 619113603 /nfs/dbraw/zinc/11/36/03/619113603.db2.gz DKVLOPYVURLFFX-WZRBSPASSA-N 2 0 297.240 2.955 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925802899 619123231 /nfs/dbraw/zinc/12/32/31/619123231.db2.gz SWARBLOQSHSFNF-CHZLEKFTSA-N 2 0 268.470 2.910 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925803523 619123714 /nfs/dbraw/zinc/12/37/14/619123714.db2.gz ZLDWNRNSKWPCFN-MNFFZHCASA-N 2 0 268.470 2.638 20 0 CFADRP CCCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925808722 619127660 /nfs/dbraw/zinc/12/76/60/619127660.db2.gz DSWKJHDEHSBDIM-SFHVURJKSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+]C1CCN(CC[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000925810220 619128555 /nfs/dbraw/zinc/12/85/55/619128555.db2.gz CSPWSQRRASDGKV-UHFFFAOYSA-N 2 0 293.499 2.892 20 0 CFADRP c1cnc2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000925812186 619131039 /nfs/dbraw/zinc/13/10/39/619131039.db2.gz HPYNLBVCKABIAQ-SJPCQFCGSA-N 2 0 281.403 2.650 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925819822 619140123 /nfs/dbraw/zinc/14/01/23/619140123.db2.gz ACMKIUDGRGBBLR-GTPINHCMSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(F)c1 ZINC000925824588 619146106 /nfs/dbraw/zinc/14/61/06/619146106.db2.gz ZFKWERPMGFSENK-BFYDXBDKSA-N 2 0 294.414 2.529 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000250154456 619158456 /nfs/dbraw/zinc/15/84/56/619158456.db2.gz CEGPSJDYZHWWLI-BFHYXJOUSA-N 2 0 250.411 2.758 20 0 CFADRP CCSc1ccccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000925829849 619161280 /nfs/dbraw/zinc/16/12/80/619161280.db2.gz CHLMLHPSVLAYES-UHFFFAOYSA-N 2 0 264.438 2.683 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000925831059 619162305 /nfs/dbraw/zinc/16/23/05/619162305.db2.gz CDBSXJNDUREQRJ-DLBZAZTESA-N 2 0 284.403 2.860 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000925832368 619163235 /nfs/dbraw/zinc/16/32/35/619163235.db2.gz OVOHMSILWSSTFC-XWLWVQCSSA-N 2 0 264.335 2.680 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925833874 619164960 /nfs/dbraw/zinc/16/49/60/619164960.db2.gz LDJZZBZOHWCYHT-UTUOFQBUSA-N 2 0 282.350 2.594 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000261539060 619169618 /nfs/dbraw/zinc/16/96/18/619169618.db2.gz BLGGINALYNWQHW-KUQKPQIMSA-N 2 0 287.451 2.509 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1(C)C ZINC000261570578 619171493 /nfs/dbraw/zinc/17/14/93/619171493.db2.gz OVXAXWSZJPNMCC-LJISPDSOSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CC[NH2+]C1 ZINC000925840299 619173102 /nfs/dbraw/zinc/17/31/02/619173102.db2.gz VDELUWUQEXLHAP-ZGKBOVNRSA-N 2 0 280.362 2.623 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000261593003 619173804 /nfs/dbraw/zinc/17/38/04/619173804.db2.gz MSFTZCFEXRYYQQ-HUUCEWRRSA-N 2 0 260.381 2.538 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000261633052 619182300 /nfs/dbraw/zinc/18/23/00/619182300.db2.gz BMXVLDCWONORAU-JKSUJKDBSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861685 619187602 /nfs/dbraw/zinc/18/76/02/619187602.db2.gz RUFOVVOQAKYLQP-MJBXVCDLSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCS1 ZINC000925862067 619188508 /nfs/dbraw/zinc/18/85/08/619188508.db2.gz XFRGAHAFEZBCEB-FDYHWXHSSA-N 2 0 256.459 2.766 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCCc3cccnc31)[NH2+]2 ZINC000925872017 619193300 /nfs/dbraw/zinc/19/33/00/619193300.db2.gz NITVUACYLRJGJA-SLZITWOASA-N 2 0 271.408 2.578 20 0 CFADRP COC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(C)C ZINC000925874551 619195206 /nfs/dbraw/zinc/19/52/06/619195206.db2.gz SZFABINTFOVGEX-BBWFWOEESA-N 2 0 282.472 2.663 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccnc1Cl ZINC000925875681 619196049 /nfs/dbraw/zinc/19/60/49/619196049.db2.gz LWBDZIGZESMXQV-MXWKQRLJSA-N 2 0 253.777 2.513 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925876390 619196752 /nfs/dbraw/zinc/19/67/52/619196752.db2.gz WKDFOFDMXSYHBY-NHIYQJMISA-N 2 0 276.424 2.904 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924958752 619302992 /nfs/dbraw/zinc/30/29/92/619302992.db2.gz HITMLQRAUGPEFI-JKSUJKDBSA-N 2 0 275.440 2.723 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924961401 619304550 /nfs/dbraw/zinc/30/45/50/619304550.db2.gz VQGWXIIVHQJCNT-BPQIPLTHSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924962796 619305363 /nfs/dbraw/zinc/30/53/63/619305363.db2.gz GPACUBOCXNWPIA-SJLPKXTDSA-N 2 0 287.451 2.724 20 0 CFADRP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924968491 619309948 /nfs/dbraw/zinc/30/99/48/619309948.db2.gz ZIZZXGOFEHLDIO-GVDBMIGSSA-N 2 0 286.419 2.986 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261915823 619314086 /nfs/dbraw/zinc/31/40/86/619314086.db2.gz JXDMUPBMOIUGRL-VNHYZAJKSA-N 2 0 264.388 2.988 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925008139 619329679 /nfs/dbraw/zinc/32/96/79/619329679.db2.gz BYVKLLTVMODWAX-CABCVRRESA-N 2 0 290.451 2.906 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000894319487 619331714 /nfs/dbraw/zinc/33/17/14/619331714.db2.gz AQFXCYFSLOEVAK-GPANFISMSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000894359868 619350431 /nfs/dbraw/zinc/35/04/31/619350431.db2.gz UCJROQUUXXEKGF-NVXWUHKLSA-N 2 0 298.434 2.800 20 0 CFADRP CCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925039146 619352968 /nfs/dbraw/zinc/35/29/68/619352968.db2.gz AYGVPBLZCZQUMV-YOEHRIQHSA-N 2 0 278.440 2.950 20 0 CFADRP Fc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(F)c1F ZINC000262016413 619373257 /nfs/dbraw/zinc/37/32/57/619373257.db2.gz MSGFTSZDKDLZGS-UHFFFAOYSA-N 2 0 284.325 2.679 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000894448479 619388192 /nfs/dbraw/zinc/38/81/92/619388192.db2.gz NOVBUFBZWXPIRY-INIZCTEOSA-N 2 0 259.397 2.560 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(N)[nH+]cc1Cl ZINC000894476039 619395701 /nfs/dbraw/zinc/39/57/01/619395701.db2.gz MJIGAPAQSUGCHV-VIFPVBQESA-N 2 0 268.792 2.602 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(O)c(F)c3)C2)CC1 ZINC000894476189 619396222 /nfs/dbraw/zinc/39/62/22/619396222.db2.gz DGNPBGWGVMFAQL-OAHLLOKOSA-N 2 0 292.398 2.695 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000894515620 619406488 /nfs/dbraw/zinc/40/64/88/619406488.db2.gz WNLGFMYYRHUIKF-MRXNPFEDSA-N 2 0 296.842 2.695 20 0 CFADRP C[NH+]1CCC(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)CC1 ZINC000894530492 619410969 /nfs/dbraw/zinc/41/09/69/619410969.db2.gz VUHLODUGEQSHGO-SFHVURJKSA-N 2 0 299.462 2.813 20 0 CFADRP C=Cc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000894563929 619419828 /nfs/dbraw/zinc/41/98/28/619419828.db2.gz BTPCCEJFSUGYNT-UHFFFAOYSA-N 2 0 258.409 2.804 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000894696042 619445387 /nfs/dbraw/zinc/44/53/87/619445387.db2.gz VNYZNAMOSMJDOE-MRXNPFEDSA-N 2 0 296.842 2.647 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(C(=O)OCC)CCCC2)CC1 ZINC000792196447 619450458 /nfs/dbraw/zinc/45/04/58/619450458.db2.gz UAQLSXAGOPZRDT-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H]1C(C)C ZINC000894740934 619455764 /nfs/dbraw/zinc/45/57/64/619455764.db2.gz DKJZIZBQMKJWPA-JKSUJKDBSA-N 2 0 252.446 2.941 20 0 CFADRP COC(=O)[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)CC(C)C ZINC000894792032 619465477 /nfs/dbraw/zinc/46/54/77/619465477.db2.gz ZROGYUDFOIBRIO-CQSZACIVSA-N 2 0 298.471 2.674 20 0 CFADRP CSc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000894783801 619466806 /nfs/dbraw/zinc/46/68/06/619466806.db2.gz XUXXVGDBYQCRDE-TZMCWYRMSA-N 2 0 280.437 2.918 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@H]1C[C@@]1(C)Br)C1CC1 ZINC000894807314 619471161 /nfs/dbraw/zinc/47/11/61/619471161.db2.gz SEHMUTFGZCZHEG-DGCLKSJQSA-N 2 0 289.261 2.624 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894861441 619488726 /nfs/dbraw/zinc/48/87/26/619488726.db2.gz ULQUZHXWDRHKLU-MRXNPFEDSA-N 2 0 292.471 2.902 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000894977242 619520662 /nfs/dbraw/zinc/52/06/62/619520662.db2.gz IXXBDLSHDRYPRQ-XVSSEFHLSA-N 2 0 289.261 2.622 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000895587038 619561400 /nfs/dbraw/zinc/56/14/00/619561400.db2.gz GHFKKOAAVUSBHZ-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP Cn1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000895683836 619585723 /nfs/dbraw/zinc/58/57/23/619585723.db2.gz UJCDEIGYBAUSKP-UHFFFAOYSA-N 2 0 263.429 2.723 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CC2CCC(OC)CC2)CC1 ZINC000895753652 619599681 /nfs/dbraw/zinc/59/96/81/619599681.db2.gz KMTXGAFTSCXYDA-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP CCc1onc(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000895820918 619614840 /nfs/dbraw/zinc/61/48/40/619614840.db2.gz BVJLAWWFGVRRAN-UHFFFAOYSA-N 2 0 279.428 2.898 20 0 CFADRP Brc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000070600504 625363613 /nfs/dbraw/zinc/36/36/13/625363613.db2.gz KWCJNONFDUVQKK-VIFPVBQESA-N 2 0 289.242 2.600 20 0 CFADRP C[NH+](C)CC[C@H](NC[C@@]1(C)CCCS1)c1cccnc1 ZINC000896724997 619794799 /nfs/dbraw/zinc/79/47/99/619794799.db2.gz YEVRGKKWUHWCIZ-JKSUJKDBSA-N 2 0 293.480 2.950 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccnc1 ZINC000896717618 619797236 /nfs/dbraw/zinc/79/72/36/619797236.db2.gz TZBCOHAPYLKSEE-XLNGHYISSA-N 2 0 273.424 2.710 20 0 CFADRP CC(C)CCCC[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897229000 619954045 /nfs/dbraw/zinc/95/40/45/619954045.db2.gz PXJXFBPUYJCHFF-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2c(F)cc(O)cc2F)CC1 ZINC000897304361 619974742 /nfs/dbraw/zinc/97/47/42/619974742.db2.gz CNDJRKCMWOLGBT-UHFFFAOYSA-N 2 0 298.377 2.677 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1coc(-c2ccccc2)n1 ZINC000925151569 619980826 /nfs/dbraw/zinc/98/08/26/619980826.db2.gz CMDBRYWNAOEINO-FKEKPDDDSA-N 2 0 297.402 2.771 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000925218000 620028804 /nfs/dbraw/zinc/02/88/04/620028804.db2.gz ILTVWAAONROKRW-OAHLLOKOSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(Cl)n1 ZINC000321282872 620110316 /nfs/dbraw/zinc/11/03/16/620110316.db2.gz IACKUOYBKMFJDJ-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)C2CCOCC2)CC1 ZINC000897446972 620175086 /nfs/dbraw/zinc/17/50/86/620175086.db2.gz LJWDVTWEDCLDSQ-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H](C)C1 ZINC000897448520 620175605 /nfs/dbraw/zinc/17/56/05/620175605.db2.gz WSVRYVIPAFIJDQ-GDBMZVCRSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)CC[N@@H+]1C ZINC000897476422 620182405 /nfs/dbraw/zinc/18/24/05/620182405.db2.gz RWBBUGQRINZIFQ-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841006196 620212672 /nfs/dbraw/zinc/21/26/72/620212672.db2.gz CKTBOSARXQWLPK-JKSUJKDBSA-N 2 0 298.434 2.692 20 0 CFADRP CC[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000253078551 620219211 /nfs/dbraw/zinc/21/92/11/620219211.db2.gz TVMIEFPTTXGQPY-DKUMPPAJSA-N 2 0 268.470 2.735 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C2CCSCC2)CC1 ZINC000035120935 620234494 /nfs/dbraw/zinc/23/44/94/620234494.db2.gz CRGJMWVSSNQNFA-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308246 620241679 /nfs/dbraw/zinc/24/16/79/620241679.db2.gz PDSNJQZOKMSNFM-HZPDHXFCSA-N 2 0 282.472 2.900 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000897621443 620260509 /nfs/dbraw/zinc/26/05/09/620260509.db2.gz BMMPCFQFZSMZSR-BSWAZPDLSA-N 2 0 262.441 2.862 20 0 CFADRP Cn1c(CN2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc2ccccc21 ZINC000897619989 620261720 /nfs/dbraw/zinc/26/17/20/620261720.db2.gz CCXCOONKEYEENF-QAPCUYQASA-N 2 0 283.419 2.562 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSC(C)(C)C2)CCN1C ZINC000897794392 620286005 /nfs/dbraw/zinc/28/60/05/620286005.db2.gz UPNWODGXYMVMTR-AGIUHOORSA-N 2 0 256.459 2.733 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000897959836 620312097 /nfs/dbraw/zinc/31/20/97/620312097.db2.gz WVIMOFRMQOUJMP-UHOFOFEASA-N 2 0 268.364 2.546 20 0 CFADRP COC1(C[NH+]2CCC([NH2+]C3CCC3)CC2)CCCCC1 ZINC000897980951 620317790 /nfs/dbraw/zinc/31/77/90/620317790.db2.gz HJVBIGFHTDJMFO-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)OC ZINC000897982764 620318215 /nfs/dbraw/zinc/31/82/15/620318215.db2.gz RAGDTVKDQSJIAB-BBRMVZONSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCC(F)(F)C2)CC1 ZINC000898016698 620323513 /nfs/dbraw/zinc/32/35/13/620323513.db2.gz AFIXBGLGIRHSRM-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898112219 620335878 /nfs/dbraw/zinc/33/58/78/620335878.db2.gz PKGUUYGKDACMDC-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCCCCC1 ZINC000898261590 620360071 /nfs/dbraw/zinc/36/00/71/620360071.db2.gz TWBFJADAQAYCIY-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP CSC1(C[N@H+](C)CC(C)(C)C[NH+](C)C)CCC1 ZINC000898308161 620370450 /nfs/dbraw/zinc/37/04/50/620370450.db2.gz QERLIMREMHYEPH-UHFFFAOYSA-N 2 0 258.475 2.792 20 0 CFADRP CO[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000322360201 620376877 /nfs/dbraw/zinc/37/68/77/620376877.db2.gz BEEIWGQDMOTUDG-FBVQUNGASA-N 2 0 288.435 2.763 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000898375341 620377438 /nfs/dbraw/zinc/37/74/38/620377438.db2.gz DFVYFQSUVCAFMH-IAGOWNOFSA-N 2 0 280.456 2.512 20 0 CFADRP CSC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322610878 620387126 /nfs/dbraw/zinc/38/71/26/620387126.db2.gz OPHBJGKZUNORRD-YHWZYXNKSA-N 2 0 256.459 2.733 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924631146 620424178 /nfs/dbraw/zinc/42/41/78/620424178.db2.gz FLBIBYOSJNYOLA-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP Cc1n[nH]cc1CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924634107 620426280 /nfs/dbraw/zinc/42/62/80/620426280.db2.gz XTUUGLVPNRSUHN-UHFFFAOYSA-N 2 0 292.471 2.751 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000924646719 620431947 /nfs/dbraw/zinc/43/19/47/620431947.db2.gz DYNSPJYUVUYPTA-BXWFABGCSA-N 2 0 299.462 2.867 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CO[C@H]1C ZINC000924688816 620440913 /nfs/dbraw/zinc/44/09/13/620440913.db2.gz VWGIONDDYPMMFV-UGUYLWEFSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H](C)C2)[C@H](C)C1 ZINC000927034458 620444294 /nfs/dbraw/zinc/44/42/94/620444294.db2.gz WPJFNAJHTAJKME-SYQHCUMBSA-N 2 0 256.459 2.590 20 0 CFADRP C[NH+](C)CCc1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)cc1 ZINC000899322173 620543522 /nfs/dbraw/zinc/54/35/22/620543522.db2.gz DUQYMFHTJBJTCJ-LJQANCHMSA-N 2 0 280.415 2.884 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)cc1 ZINC000899324013 620544041 /nfs/dbraw/zinc/54/40/41/620544041.db2.gz WXIGXBLAZAKUES-DIFFPNOSSA-N 2 0 252.361 2.799 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000111273351 620581981 /nfs/dbraw/zinc/58/19/81/620581981.db2.gz ANEVOXZFJNTMQY-OLZOCXBDSA-N 2 0 252.427 2.814 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000902198859 620996860 /nfs/dbraw/zinc/99/68/60/620996860.db2.gz JKIAYTRXNHJNGJ-HNNXBMFYSA-N 2 0 275.440 2.938 20 0 CFADRP CC1(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)COC1 ZINC000902319349 621023737 /nfs/dbraw/zinc/02/37/37/621023737.db2.gz MDHREUHZVUBUQH-OAHLLOKOSA-N 2 0 298.377 2.761 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000902301929 621026992 /nfs/dbraw/zinc/02/69/92/621026992.db2.gz NAGAYUFDUOMVFP-CVEARBPZSA-N 2 0 275.440 2.999 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000902327549 621037393 /nfs/dbraw/zinc/03/73/93/621037393.db2.gz DUXSPIXYZSXFEW-UONOGXRCSA-N 2 0 295.496 2.719 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)C1 ZINC000902326759 621037407 /nfs/dbraw/zinc/03/74/07/621037407.db2.gz DRWQCJKUFQRHEK-IAGOWNOFSA-N 2 0 290.451 2.520 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902330614 621038217 /nfs/dbraw/zinc/03/82/17/621038217.db2.gz QJPKNNVMNWNYPR-JKSUJKDBSA-N 2 0 295.515 2.865 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902331003 621038532 /nfs/dbraw/zinc/03/85/32/621038532.db2.gz RHZDVIILRBPVNQ-SJORKVTESA-N 2 0 289.467 2.657 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902330342 621038600 /nfs/dbraw/zinc/03/86/00/621038600.db2.gz WLPINFKRWWPGMO-INIZCTEOSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1cccc(F)c1 ZINC000902334433 621040482 /nfs/dbraw/zinc/04/04/82/621040482.db2.gz TXHFXHVEBAKWJX-ZFWWWQNUSA-N 2 0 294.414 2.961 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1F ZINC000902336125 621041016 /nfs/dbraw/zinc/04/10/16/621041016.db2.gz YPAOINBWSDUUQU-KBPBESRZSA-N 2 0 294.414 2.961 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)C1 ZINC000902337699 621042146 /nfs/dbraw/zinc/04/21/46/621042146.db2.gz RGOGQHODJVBKJA-CYBMUJFWSA-N 2 0 298.377 2.711 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902368631 621043445 /nfs/dbraw/zinc/04/34/45/621043445.db2.gz GTQAGYCUQSODNN-CABCVRRESA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902372986 621044968 /nfs/dbraw/zinc/04/49/68/621044968.db2.gz UTAKCRLEMZJXGY-SOUVJXGZSA-N 2 0 282.472 2.948 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000902373646 621045400 /nfs/dbraw/zinc/04/54/00/621045400.db2.gz YQABYSADYGRORL-GFCCVEGCSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)C1 ZINC000902373826 621045688 /nfs/dbraw/zinc/04/56/88/621045688.db2.gz FYQXPYBIGLLJKI-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nccs1 ZINC000902375453 621046636 /nfs/dbraw/zinc/04/66/36/621046636.db2.gz VVKISBMNXXULRQ-NWDGAFQWSA-N 2 0 267.442 2.614 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902351121 621048289 /nfs/dbraw/zinc/04/82/89/621048289.db2.gz XEQMCFDIYUACCV-ZDUSSCGKSA-N 2 0 281.469 2.670 20 0 CFADRP CC(C)(C)SCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902352498 621048965 /nfs/dbraw/zinc/04/89/65/621048965.db2.gz LSPBPFZKUOVEBQ-GFCCVEGCSA-N 2 0 258.475 2.886 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000902362425 621053595 /nfs/dbraw/zinc/05/35/95/621053595.db2.gz QUPBFMWDAYUQPC-AWEZNQCLSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C1 ZINC000902362292 621053708 /nfs/dbraw/zinc/05/37/08/621053708.db2.gz PQVAHAMVAMICOD-OWLYRPNTSA-N 2 0 284.447 2.940 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363348 621053848 /nfs/dbraw/zinc/05/38/48/621053848.db2.gz LFTFCPFBVXVSKG-OLZOCXBDSA-N 2 0 250.386 2.578 20 0 CFADRP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363351 621053865 /nfs/dbraw/zinc/05/38/65/621053865.db2.gz LFTFCPFBVXVSKG-STQMWFEESA-N 2 0 250.386 2.578 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000902384583 621059606 /nfs/dbraw/zinc/05/96/06/621059606.db2.gz NKMFYOFSBVBLAA-ZIAGYGMSSA-N 2 0 274.408 2.530 20 0 CFADRP CC(C)[C@H]([NH3+])CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902391990 621062689 /nfs/dbraw/zinc/06/26/89/621062689.db2.gz DIQVVKOEWWPIDF-CVEARBPZSA-N 3 0 299.409 2.708 20 0 CFADRP CCC[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)OCC ZINC000902400548 621067166 /nfs/dbraw/zinc/06/71/66/621067166.db2.gz SULWFDPJXUNUTM-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000902400344 621067196 /nfs/dbraw/zinc/06/71/96/621067196.db2.gz QLSXUFAIRIRTNS-ZQDZILKHSA-N 2 0 250.430 2.790 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902402726 621067870 /nfs/dbraw/zinc/06/78/70/621067870.db2.gz DPMKZDRLKPQTIG-PQUAAJSLSA-N 3 0 293.499 2.761 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000902428961 621076020 /nfs/dbraw/zinc/07/60/20/621076020.db2.gz IQJFSXNVKANAEC-BXUZGUMPSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000902429369 621076495 /nfs/dbraw/zinc/07/64/95/621076495.db2.gz JWXYYKAGWKTUPC-ZNMIVQPWSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)C1CC1 ZINC000902429590 621076694 /nfs/dbraw/zinc/07/66/94/621076694.db2.gz FJGPLVUMSLBRDU-LLVKDONJSA-N 2 0 261.413 2.936 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000902432134 621077644 /nfs/dbraw/zinc/07/76/44/621077644.db2.gz VLTQEFIRGMXTIZ-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902432158 621077854 /nfs/dbraw/zinc/07/78/54/621077854.db2.gz VNKFNYJRIMNWCL-QZWWFDLISA-N 2 0 282.472 2.828 20 0 CFADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000902443789 621082262 /nfs/dbraw/zinc/08/22/62/621082262.db2.gz MCQBUMFXWXDZPB-MRXNPFEDSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)[C@H]1CCCC[NH2+]1 ZINC000902450350 621091317 /nfs/dbraw/zinc/09/13/17/621091317.db2.gz CYKRXQRNRSEHHV-RWMBFGLXSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000902450352 621091563 /nfs/dbraw/zinc/09/15/63/621091563.db2.gz CYKRXQRNRSEHHV-XQQFMLRXSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000902451032 621092085 /nfs/dbraw/zinc/09/20/85/621092085.db2.gz DUIVLQXPRFXWKZ-CYBMUJFWSA-N 2 0 290.407 2.554 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902453229 621093162 /nfs/dbraw/zinc/09/31/62/621093162.db2.gz NZHKFPHGSHLBJL-VGKMCQHDSA-N 2 0 266.335 2.680 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCS1 ZINC000902454758 621093874 /nfs/dbraw/zinc/09/38/74/621093874.db2.gz VAUSZAVLOQBUAM-XJFOESAGSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCS1 ZINC000902454741 621093896 /nfs/dbraw/zinc/09/38/96/621093896.db2.gz UNVZVGJJJMVXHW-UTUOFQBUSA-N 2 0 254.443 2.520 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902455752 621094048 /nfs/dbraw/zinc/09/40/48/621094048.db2.gz YWAJSDBKVZFRID-AGIUHOORSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902456374 621094413 /nfs/dbraw/zinc/09/44/13/621094413.db2.gz OMWPRHSYBWLAFG-JVNPIMRCSA-N 2 0 258.409 2.723 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000902457401 621094683 /nfs/dbraw/zinc/09/46/83/621094683.db2.gz RQQPLPXXLCJQIQ-RWMBFGLXSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000902463003 621097549 /nfs/dbraw/zinc/09/75/49/621097549.db2.gz YRNWTICXDFFJRR-FXUDXRNXSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465219 621098490 /nfs/dbraw/zinc/09/84/90/621098490.db2.gz GHPCNIYFVAVECU-UKKRHICBSA-N 2 0 250.308 2.590 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902466257 621099468 /nfs/dbraw/zinc/09/94/68/621099468.db2.gz LNMBSZKGQYWADB-UAQGADGFSA-N 2 0 262.319 2.590 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902471336 621101686 /nfs/dbraw/zinc/10/16/86/621101686.db2.gz NNASEKZFIBVXEV-REEYDVFISA-N 2 0 291.483 2.512 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902490729 621102171 /nfs/dbraw/zinc/10/21/71/621102171.db2.gz SNNMMZUWDLBIFS-MWQQHZPXSA-N 2 0 258.409 2.958 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489979 621102267 /nfs/dbraw/zinc/10/22/67/621102267.db2.gz QLROZJZDDMMADP-QHSOUUPTSA-N 2 0 262.372 2.776 20 0 CFADRP Cc1ncccc1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000902512245 621108870 /nfs/dbraw/zinc/10/88/70/621108870.db2.gz HHCYUPLIBFEDGL-PBHICJAKSA-N 2 0 275.440 2.833 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000902483724 621110537 /nfs/dbraw/zinc/11/05/37/621110537.db2.gz AHTZQIJRYPQLSP-CHIMOYNISA-N 2 0 299.340 2.805 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccc2ccccc21 ZINC000902484115 621110918 /nfs/dbraw/zinc/11/09/18/621110918.db2.gz CWKKEWZLAUEMEX-OBJOEFQTSA-N 2 0 255.365 2.623 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc2c(s1)CCC2 ZINC000902486000 621111504 /nfs/dbraw/zinc/11/15/04/621111504.db2.gz DTUXAJKJPPBOND-CKYFFXLPSA-N 2 0 250.411 2.625 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc(C)c1F ZINC000902485989 621111550 /nfs/dbraw/zinc/11/15/50/621111550.db2.gz DLYHGHLXKLETKZ-YRGRVCCFSA-N 2 0 250.361 2.830 20 0 CFADRP CSc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1F ZINC000902485563 621111556 /nfs/dbraw/zinc/11/15/56/621111556.db2.gz AMAZDDQPINIESZ-NHCYSSNCSA-N 2 0 268.401 2.936 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489456 621112915 /nfs/dbraw/zinc/11/29/15/621112915.db2.gz RMLLZUXMLCSIPP-UBHSHLNASA-N 2 0 298.377 2.936 20 0 CFADRP C1CC1([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCCC1 ZINC000902518359 621115608 /nfs/dbraw/zinc/11/56/08/621115608.db2.gz PVHLCWCAJVNEOZ-AMSCCUFHSA-N 2 0 260.425 2.685 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1Cc3ccc(Cl)cc3C1)[NH2+]2 ZINC000902518364 621115716 /nfs/dbraw/zinc/11/57/16/621115716.db2.gz PWFCEBTUEXQEGG-DIWUDIOASA-N 2 0 290.838 2.926 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000902522832 621116925 /nfs/dbraw/zinc/11/69/25/621116925.db2.gz YNOZNSZWSWPCOP-IPMKNSEASA-N 2 0 296.414 2.715 20 0 CFADRP CCNc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000902584620 621131530 /nfs/dbraw/zinc/13/15/30/621131530.db2.gz NNMKETJGIJOVRS-MQVJKMGUSA-N 2 0 273.424 2.833 20 0 CFADRP CN(C)C1(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCCCC1 ZINC000902724620 621158357 /nfs/dbraw/zinc/15/83/57/621158357.db2.gz DUBFBPZDYNRPNT-SMLCLMEVSA-N 2 0 292.467 2.654 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902761665 621167669 /nfs/dbraw/zinc/16/76/69/621167669.db2.gz WHQCYRPELZTXBG-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP CN(CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCCC1 ZINC000902768800 621169829 /nfs/dbraw/zinc/16/98/29/621169829.db2.gz QROUQHWVSOQIKW-QXDIGNSFSA-N 2 0 292.467 2.654 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902779724 621172426 /nfs/dbraw/zinc/17/24/26/621172426.db2.gz ZEHDHCLKQCFBID-JONQDZQNSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1COc2ccccc2C1 ZINC000902797384 621179529 /nfs/dbraw/zinc/17/95/29/621179529.db2.gz USLCMLMHXLEPED-UXLLHSPISA-N 2 0 288.435 2.558 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000902810049 621184004 /nfs/dbraw/zinc/18/40/04/621184004.db2.gz PMDLEVBBKNKJBR-OVYBAWALSA-N 2 0 294.483 2.756 20 0 CFADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902815585 621185261 /nfs/dbraw/zinc/18/52/61/621185261.db2.gz VIEZQXPLYOQWBY-KKUMJFAQSA-N 2 0 287.407 2.930 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902852822 621185899 /nfs/dbraw/zinc/18/58/99/621185899.db2.gz CZTRGMSVDLMSIT-SMLCLMEVSA-N 2 0 292.467 2.652 20 0 CFADRP C[C@@H]([NH2+]CCN1CC=CCC1)c1cccc(-n2ccnc2)c1 ZINC000902976182 621215789 /nfs/dbraw/zinc/21/57/89/621215789.db2.gz ODFADLPUXCRUQO-MRXNPFEDSA-N 2 0 296.418 2.785 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000903018111 621222263 /nfs/dbraw/zinc/22/22/63/621222263.db2.gz XKIBRJWWUIYALD-GOEBONIOSA-N 2 0 273.380 2.772 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000903018110 621222479 /nfs/dbraw/zinc/22/24/79/621222479.db2.gz XKIBRJWWUIYALD-GDBMZVCRSA-N 2 0 273.380 2.772 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903042877 621232111 /nfs/dbraw/zinc/23/21/11/621232111.db2.gz KBZBVTOHYBAQAQ-DDBAPUKQSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000903042876 621232431 /nfs/dbraw/zinc/23/24/31/621232431.db2.gz KBZBVTOHYBAQAQ-BGTYHANMSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1COc2ccccc2C1 ZINC000903042452 621232504 /nfs/dbraw/zinc/23/25/04/621232504.db2.gz CQYLEIWVCQROJZ-SRABZTEZSA-N 2 0 288.435 2.556 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2OC)c1 ZINC000903091404 621248787 /nfs/dbraw/zinc/24/87/87/621248787.db2.gz SYNVZTXPTLNERL-IAGOWNOFSA-N 2 0 276.424 2.795 20 0 CFADRP CCOCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171779 621273988 /nfs/dbraw/zinc/27/39/88/621273988.db2.gz IZTUIJSUGQNNTO-VHRNVKJDSA-N 2 0 280.456 2.797 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903173135 621274322 /nfs/dbraw/zinc/27/43/22/621274322.db2.gz XQFZUYJOCUYNNZ-UNPWZGGWSA-N 2 0 293.499 2.854 20 0 CFADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C[C@H]1CCOC1 ZINC000903185882 621275117 /nfs/dbraw/zinc/27/51/17/621275117.db2.gz GZTAIHFDNULPIF-YTTRVJOFSA-N 2 0 278.440 2.551 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000251819973 621275742 /nfs/dbraw/zinc/27/57/42/621275742.db2.gz PDRURWCFRISDJL-RHSMWYFYSA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H]([NH2+]Cc1nccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC000903183941 621277864 /nfs/dbraw/zinc/27/78/64/621277864.db2.gz GUAXQWACILPQEO-CQSZACIVSA-N 2 0 287.451 2.780 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](c3ccccn3)C3CC3)ccc12 ZINC000903183844 621278199 /nfs/dbraw/zinc/27/81/99/621278199.db2.gz RJECQAJFGWBYHO-QGZVFWFLSA-N 2 0 278.359 2.970 20 0 CFADRP CC[C@H](C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903194040 621280773 /nfs/dbraw/zinc/28/07/73/621280773.db2.gz IYTPMLTWQIDEKP-HGYJMWHNSA-N 2 0 280.456 2.531 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000903193103 621280979 /nfs/dbraw/zinc/28/09/79/621280979.db2.gz CKHFEQILVPKJGS-VBQMHKBWSA-N 2 0 260.425 2.922 20 0 CFADRP C([NH2+][C@H]1CCOC12CCCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000903206885 621287421 /nfs/dbraw/zinc/28/74/21/621287421.db2.gz UQKQNRFOWITTHH-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000903211575 621289246 /nfs/dbraw/zinc/28/92/46/621289246.db2.gz HCDJJNQUYUEOCY-PCKAHOCUSA-N 2 0 280.456 2.941 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224208 621293501 /nfs/dbraw/zinc/29/35/01/621293501.db2.gz RVPZIOVGBFQQRO-XFGLFUPJSA-N 2 0 288.357 2.932 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000903245347 621296145 /nfs/dbraw/zinc/29/61/45/621296145.db2.gz LFRYRARTXVRODQ-AWEZNQCLSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1[C@@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC[N@@H+]1C ZINC000903299571 621314387 /nfs/dbraw/zinc/31/43/87/621314387.db2.gz BIZJFMLKRXJSTK-FZCLSBEQSA-N 2 0 293.499 2.712 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903303365 621317506 /nfs/dbraw/zinc/31/75/06/621317506.db2.gz PWLTXUHXONNPMA-INIZCTEOSA-N 2 0 290.451 2.758 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@@H]2CCC[C@H]21 ZINC000903323328 621323261 /nfs/dbraw/zinc/32/32/61/621323261.db2.gz JOVLALQABNAPFL-XJADACSNSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000163222409 621328254 /nfs/dbraw/zinc/32/82/54/621328254.db2.gz CLUPRBCINSLEAV-HNNXBMFYSA-N 2 0 298.434 2.692 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@H]2CCC[C@@H]21 ZINC000903350671 621342967 /nfs/dbraw/zinc/34/29/67/621342967.db2.gz DHVFLXHZNWYHSC-FZKCQIBNSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000903353766 621344877 /nfs/dbraw/zinc/34/48/77/621344877.db2.gz GLIVKFXOQNQKQZ-CQSZACIVSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903384634 621356027 /nfs/dbraw/zinc/35/60/27/621356027.db2.gz RYMGHZUIMPPKFM-BBRMVZONSA-N 2 0 261.413 2.853 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903425168 621369979 /nfs/dbraw/zinc/36/99/79/621369979.db2.gz VTGLZMRLEGOGRW-JSGCOSHPSA-N 2 0 264.438 2.968 20 0 CFADRP COc1cc(C)c(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000903426401 621370532 /nfs/dbraw/zinc/37/05/32/621370532.db2.gz JWXYPLNCMOBAIT-HIFRSBDPSA-N 2 0 292.423 2.571 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000903429285 621371233 /nfs/dbraw/zinc/37/12/33/621371233.db2.gz CTEYSEXKXHOMOG-WMLDXEAASA-N 2 0 286.419 2.709 20 0 CFADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000903429549 621371312 /nfs/dbraw/zinc/37/13/12/621371312.db2.gz GKICXSVIGCHKRW-INMHGKMJSA-N 2 0 290.451 2.804 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903429876 621372057 /nfs/dbraw/zinc/37/20/57/621372057.db2.gz KJKUHNGCCCYXEQ-OCCSQVGLSA-N 2 0 282.815 2.778 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903430602 621372063 /nfs/dbraw/zinc/37/20/63/621372063.db2.gz XRZWVHGHNHMVCM-GUTXKFCHSA-N 2 0 262.397 2.815 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903430520 621372068 /nfs/dbraw/zinc/37/20/68/621372068.db2.gz VDKJCJKWUJUCTH-NFAWXSAZSA-N 2 0 262.397 2.544 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000903431405 621372312 /nfs/dbraw/zinc/37/23/12/621372312.db2.gz NAPIMRWKLHKFHS-OCCSQVGLSA-N 2 0 262.372 2.646 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000903432853 621372972 /nfs/dbraw/zinc/37/29/72/621372972.db2.gz NMWCDSYQGGVFEE-BPQIPLTHSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000903440161 621377331 /nfs/dbraw/zinc/37/73/31/621377331.db2.gz VELLCTUAVWJZCT-OHFALNGGSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000903440998 621377347 /nfs/dbraw/zinc/37/73/47/621377347.db2.gz GCTHRTMMJDUEFZ-PWSUYJOCSA-N 2 0 264.335 2.506 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)c1ccccc1 ZINC000903459702 621380615 /nfs/dbraw/zinc/38/06/15/621380615.db2.gz XNRDRLWAZRPQQU-KFWWJZLASA-N 2 0 260.425 2.798 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000903463611 621381978 /nfs/dbraw/zinc/38/19/78/621381978.db2.gz GTIVXLZOMSMWRJ-MIGQKNRLSA-N 2 0 298.421 2.989 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903461667 621382145 /nfs/dbraw/zinc/38/21/45/621382145.db2.gz XJQPFMDLFUNMIW-ZGKBOVNRSA-N 2 0 280.362 2.847 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000903442436 621382667 /nfs/dbraw/zinc/38/26/67/621382667.db2.gz QJIQCAGYBLTFEB-OKZBNKHCSA-N 2 0 293.499 2.702 20 0 CFADRP CCc1nc(C)c([C@H](C)N(C)C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903444670 621383548 /nfs/dbraw/zinc/38/35/48/621383548.db2.gz UKWXGHIKZCGAAI-WXHSDQCUSA-N 2 0 281.469 2.862 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903446552 621384515 /nfs/dbraw/zinc/38/45/15/621384515.db2.gz YGPMHWUEIZQQLH-CVEARBPZSA-N 2 0 287.451 2.999 20 0 CFADRP c1cc2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2[nH]1 ZINC000903452127 621387495 /nfs/dbraw/zinc/38/74/95/621387495.db2.gz HQJUYRIKTKSLJU-KRWDZBQOSA-N 2 0 283.419 2.989 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)C1 ZINC000903456332 621388607 /nfs/dbraw/zinc/38/86/07/621388607.db2.gz GZQQXZCFWNWIOU-XHSDSOJGSA-N 2 0 298.434 2.628 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000903457477 621388829 /nfs/dbraw/zinc/38/88/29/621388829.db2.gz UMRPWQVFMOYSOL-UXLLHSPISA-N 2 0 273.424 2.690 20 0 CFADRP FC1(F)CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903470788 621388984 /nfs/dbraw/zinc/38/89/84/621388984.db2.gz CYISYBKPFTZLEF-NEPJUHHUSA-N 2 0 258.356 2.686 20 0 CFADRP Cc1cncc([C@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903475998 621390191 /nfs/dbraw/zinc/39/01/91/621390191.db2.gz KDSGNONLILARNS-VNQPRFMTSA-N 2 0 259.397 2.654 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)[nH]n1 ZINC000903478667 621391197 /nfs/dbraw/zinc/39/11/97/621391197.db2.gz KXHDKACBSOMLAP-ILXRZTDVSA-N 2 0 290.455 2.840 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)[nH]n1 ZINC000903477902 621391263 /nfs/dbraw/zinc/39/12/63/621391263.db2.gz BJOIWSYPVDYETB-ILXRZTDVSA-N 2 0 290.455 2.568 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482110 621392581 /nfs/dbraw/zinc/39/25/81/621392581.db2.gz XPDRPGUSMABEHK-RYUDHWBXSA-N 2 0 258.356 2.686 20 0 CFADRP FC(F)(F)CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903482985 621393181 /nfs/dbraw/zinc/39/31/81/621393181.db2.gz AOPQESYZYBXXEF-NSHDSACASA-N 2 0 264.335 2.983 20 0 CFADRP C[NH2+]C[C@@H]1CCCCN1CCCOc1ccc(OC)cc1 ZINC000903530281 621396232 /nfs/dbraw/zinc/39/62/32/621396232.db2.gz WCFNYDBGOPTNSJ-HNNXBMFYSA-N 2 0 292.423 2.538 20 0 CFADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903564189 621396845 /nfs/dbraw/zinc/39/68/45/621396845.db2.gz PXAXWKJXRJSFBK-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@H]3CC34CC[NH2+]CC4)ccc2O1 ZINC000841077630 621422216 /nfs/dbraw/zinc/42/22/16/621422216.db2.gz AJDIKXFHHFJHHD-INIZCTEOSA-N 2 0 286.419 2.632 20 0 CFADRP CC(C)C[NH+](CC(C)C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717325 621424541 /nfs/dbraw/zinc/42/45/41/621424541.db2.gz NHVCSXZCGPGKJQ-INIZCTEOSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903716714 621424723 /nfs/dbraw/zinc/42/47/23/621424723.db2.gz QIRUWJWGQPZXBX-CYZMBNFOSA-N 2 0 294.361 2.546 20 0 CFADRP Cc1ccccc1C[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719033 621425613 /nfs/dbraw/zinc/42/56/13/621425613.db2.gz UHZXNOIRUWKIQB-KRWDZBQOSA-N 2 0 288.435 2.586 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903722270 621426922 /nfs/dbraw/zinc/42/69/22/621426922.db2.gz JXBNASZPVABBFC-SFHVURJKSA-N 2 0 290.451 2.567 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000903723009 621426932 /nfs/dbraw/zinc/42/69/32/621426932.db2.gz RWVKEXYCTFVKGX-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724439 621427573 /nfs/dbraw/zinc/42/75/73/621427573.db2.gz NPZVGTJIMCMSMV-JQHSSLGASA-N 2 0 288.435 2.756 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+](C1CC1)C1CCCCC1 ZINC000903725315 621427782 /nfs/dbraw/zinc/42/77/82/621427782.db2.gz YQIYPPRMTLKAFO-IRXDYDNUSA-N 2 0 278.440 2.552 20 0 CFADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC(C)(C)CC1 ZINC000903731909 621429344 /nfs/dbraw/zinc/42/93/44/621429344.db2.gz DGJKBTYPQHOCFJ-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903732553 621430064 /nfs/dbraw/zinc/43/00/64/621430064.db2.gz FWMPJDKESGPADR-MRXNPFEDSA-N 2 0 280.456 2.513 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903732602 621430162 /nfs/dbraw/zinc/43/01/62/621430162.db2.gz GSTWHYNGMLKSIA-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](C1CCCCC1)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751511 621432951 /nfs/dbraw/zinc/43/29/51/621432951.db2.gz GASMHNPXBBPAAK-USXIJHARSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@H]1CCCC[NH2+]C1)c1nccs1 ZINC000903752927 621433334 /nfs/dbraw/zinc/43/33/34/621433334.db2.gz QGTQEKAEHAVFFA-STQMWFEESA-N 2 0 267.442 2.568 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000903744436 621435313 /nfs/dbraw/zinc/43/53/13/621435313.db2.gz SBWGBUDHYSJENV-UAGQMJEPSA-N 2 0 258.409 2.979 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903743479 621435379 /nfs/dbraw/zinc/43/53/79/621435379.db2.gz LZZIILNABOJDTG-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903762666 621436216 /nfs/dbraw/zinc/43/62/16/621436216.db2.gz CPVJMLVCUJMMRQ-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764262 621436557 /nfs/dbraw/zinc/43/65/57/621436557.db2.gz QPYXCFQIJTVUKZ-QAETUUGQSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764686 621436808 /nfs/dbraw/zinc/43/68/08/621436808.db2.gz AIDNNFYXMZEGQN-QZTJIDSGSA-N 2 0 288.435 2.586 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000903757932 621438471 /nfs/dbraw/zinc/43/84/71/621438471.db2.gz IRPHOYXSMSFYSI-JQHSSLGASA-N 2 0 288.435 2.744 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903756171 621438863 /nfs/dbraw/zinc/43/88/63/621438863.db2.gz PFNKRCPPHUUXFW-WMZOPIPTSA-N 2 0 287.451 2.953 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)o1 ZINC000903790941 621438963 /nfs/dbraw/zinc/43/89/63/621438963.db2.gz JBEUVNYCFKZZTO-LBPRGKRZSA-N 2 0 265.401 2.741 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792932 621439550 /nfs/dbraw/zinc/43/95/50/621439550.db2.gz KALAOBQWWSSLAZ-CABCVRRESA-N 2 0 258.409 2.635 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000903793120 621439624 /nfs/dbraw/zinc/43/96/24/621439624.db2.gz NRLMMNYHYMIBIC-UHFFFAOYSA-N 2 0 281.403 2.574 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000903793333 621439700 /nfs/dbraw/zinc/43/97/00/621439700.db2.gz RFINFIRCDUWWGM-UHFFFAOYSA-N 2 0 281.403 2.574 20 0 CFADRP Fc1cccc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000903777698 621439935 /nfs/dbraw/zinc/43/99/35/621439935.db2.gz CKUWPLYGLBZONI-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778387 621440197 /nfs/dbraw/zinc/44/01/97/621440197.db2.gz MOVJDWTYTGQBNW-JFIYKMOQSA-N 2 0 288.435 2.756 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000903779386 621440481 /nfs/dbraw/zinc/44/04/81/621440481.db2.gz YHVZZOAPYPHJHD-QGZVFWFLSA-N 2 0 275.440 2.895 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000903783545 621441269 /nfs/dbraw/zinc/44/12/69/621441269.db2.gz ZABKDELDSGTVEU-OLZOCXBDSA-N 2 0 286.778 2.573 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903788058 621442390 /nfs/dbraw/zinc/44/23/90/621442390.db2.gz BEIYFPQYHVPKDC-CABCVRRESA-N 2 0 293.480 2.706 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCCC2CC[NH2+]CC2)CCC1 ZINC000903810782 621446847 /nfs/dbraw/zinc/44/68/47/621446847.db2.gz HUILYYDCZKLUMV-QGZVFWFLSA-N 3 0 293.499 2.750 20 0 CFADRP CCO[C@H](C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1)C1CC1 ZINC000903812646 621447716 /nfs/dbraw/zinc/44/77/16/621447716.db2.gz VNAFKQKYZSFCLE-HZPDHXFCSA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCC(F)(F)F)C2 ZINC000903842569 621450000 /nfs/dbraw/zinc/45/00/00/621450000.db2.gz PPAFBZHBZYKNKM-DCAQKATOSA-N 2 0 250.308 2.531 20 0 CFADRP C[C@]12C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826501 621450522 /nfs/dbraw/zinc/45/05/22/621450522.db2.gz KOMSUQPUUDHOCZ-ZOFXXKQRSA-N 2 0 260.425 2.520 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCSc1ccc(F)cc1)C2 ZINC000903842430 621451642 /nfs/dbraw/zinc/45/16/42/621451642.db2.gz OHPYFNINMHRYEM-YUTCNCBUSA-N 2 0 280.412 2.729 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)nc1 ZINC000903833383 621452268 /nfs/dbraw/zinc/45/22/68/621452268.db2.gz VNIDMOQFRQMBDH-PBHICJAKSA-N 2 0 289.423 2.617 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903833923 621452578 /nfs/dbraw/zinc/45/25/78/621452578.db2.gz ZNLBZGXJWBCIIO-SJORKVTESA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1cccc(F)c1)C2 ZINC000903843599 621454496 /nfs/dbraw/zinc/45/44/96/621454496.db2.gz OFOAJPWRARDBOU-BPUTZDHNSA-N 2 0 262.372 2.570 20 0 CFADRP CCCC[NH+](CCCC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903873409 621462092 /nfs/dbraw/zinc/46/20/92/621462092.db2.gz QLDWAHLIAAYVGL-HNNXBMFYSA-N 2 0 293.459 2.605 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000903874525 621462230 /nfs/dbraw/zinc/46/22/30/621462230.db2.gz CNFSRXQMESMLHP-BBWFWOEESA-N 2 0 280.456 2.515 20 0 CFADRP c1ccc(N2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903885107 621464474 /nfs/dbraw/zinc/46/44/74/621464474.db2.gz DOJBWRQLLUBFHR-AYHJJNSGSA-N 2 0 299.462 2.729 20 0 CFADRP CC[C@H]1CCCCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894870 621465666 /nfs/dbraw/zinc/46/56/66/621465666.db2.gz GXCRHDOPLYNEOH-WBVHZDCISA-N 2 0 292.471 2.501 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(C2CCOCC2)CC1 ZINC000903897869 621467069 /nfs/dbraw/zinc/46/70/69/621467069.db2.gz JUCJRZIFSCAHNN-DODVFSASSA-N 2 0 292.467 2.656 20 0 CFADRP CC[N@H+](CCc1nccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903897246 621467260 /nfs/dbraw/zinc/46/72/60/621467260.db2.gz GKNLBMTZMGKULF-AGUYFDCRSA-N 2 0 279.453 2.538 20 0 CFADRP Fc1cccc(C2([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903899819 621467562 /nfs/dbraw/zinc/46/75/62/621467562.db2.gz VULNESISRWSRFX-SFESLNEESA-N 2 0 274.383 2.935 20 0 CFADRP C[C@H](c1cccnc1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905369 621469488 /nfs/dbraw/zinc/46/94/88/621469488.db2.gz DDMSDBCHAAVWHU-WPXLMEDKSA-N 2 0 259.397 2.605 20 0 CFADRP C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908577 621470855 /nfs/dbraw/zinc/47/08/55/621470855.db2.gz LCJDQBLWPNYHHS-LRVKYRPXSA-N 2 0 285.435 2.995 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](N)CC(F)F)C(C)(C)c1ccccc1 ZINC000903922900 621473540 /nfs/dbraw/zinc/47/35/40/621473540.db2.gz HBHSNYTVXIVPPN-YPMHNXCESA-N 2 0 270.367 2.925 20 0 CFADRP Fc1ccc(CC[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903926955 621475392 /nfs/dbraw/zinc/47/53/92/621475392.db2.gz VYTBBYMLOJTNIJ-UHFFFAOYSA-N 2 0 284.378 2.804 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000903932703 621476241 /nfs/dbraw/zinc/47/62/41/621476241.db2.gz FMFSETDZAOFTQQ-GUMUBFQMSA-N 2 0 292.467 2.798 20 0 CFADRP FC1CCC(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903931175 621476362 /nfs/dbraw/zinc/47/63/62/621476362.db2.gz AIAKMHWUTLXNKV-NIRLBGDNSA-N 2 0 254.393 2.635 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903933415 621477127 /nfs/dbraw/zinc/47/71/27/621477127.db2.gz QYPDYBXSDRUXRW-IBGZPJMESA-N 2 0 293.414 2.692 20 0 CFADRP C[C@@H]1C[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)C1(F)F ZINC000903934446 621477427 /nfs/dbraw/zinc/47/74/27/621477427.db2.gz HNLJQVOBEXYIBM-DUJLVANISA-N 2 0 272.383 2.740 20 0 CFADRP CC1(C)C[C@@]1(NC[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903934088 621477468 /nfs/dbraw/zinc/47/74/68/621477468.db2.gz ZUFJVENZBLEWBU-SWLSCSKDSA-N 2 0 268.351 2.884 20 0 CFADRP CC[NH2+]Cc1cccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903915891 621478240 /nfs/dbraw/zinc/47/82/40/621478240.db2.gz DEIXPLOARALUSC-ZXFUBFMLSA-N 2 0 273.424 2.739 20 0 CFADRP CC1(C)CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957891 621478931 /nfs/dbraw/zinc/47/89/31/621478931.db2.gz UGQZFTREAXSLNR-LLVKDONJSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957719 621478962 /nfs/dbraw/zinc/47/89/62/621478962.db2.gz SXSWPIQEHWGRQW-NEPJUHHUSA-N 2 0 260.372 2.790 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)ccc12 ZINC000903959133 621479866 /nfs/dbraw/zinc/47/98/66/621479866.db2.gz BBBVOPTYGPFVGB-QGZVFWFLSA-N 2 0 284.407 2.529 20 0 CFADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1OC(C)C ZINC000903941295 621482819 /nfs/dbraw/zinc/48/28/19/621482819.db2.gz XANOFSIJFXIWQO-UHFFFAOYSA-N 2 0 280.412 2.699 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)CC[NH2+]1 ZINC000903948343 621485696 /nfs/dbraw/zinc/48/56/96/621485696.db2.gz OAGLZQUCEUYIIF-UTJXIGIESA-N 2 0 276.399 2.990 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3cc(F)c(F)cc3C2)CC[NH2+]1 ZINC000903948145 621485790 /nfs/dbraw/zinc/48/57/90/621485790.db2.gz LRGYIHABUDPFHM-NEPJUHHUSA-N 2 0 280.362 2.711 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CC1CCCCCC1 ZINC000903954598 621489308 /nfs/dbraw/zinc/48/93/08/621489308.db2.gz GCEKMIFLRCFDJV-ZDUSSCGKSA-N 2 0 260.372 2.791 20 0 CFADRP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(C)c1 ZINC000903955357 621489993 /nfs/dbraw/zinc/48/99/93/621489993.db2.gz PWDSBEXCQZOTGS-CQSZACIVSA-N 2 0 282.378 2.946 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955922 621490494 /nfs/dbraw/zinc/49/04/94/621490494.db2.gz CEBNRNKNPZXCII-AGIUHOORSA-N 2 0 260.372 2.647 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000903956409 621491003 /nfs/dbraw/zinc/49/10/03/621491003.db2.gz LBKXZPQNPGIJNJ-WCQYABFASA-N 2 0 260.372 2.790 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903956689 621491140 /nfs/dbraw/zinc/49/11/40/621491140.db2.gz MYYNXECGLFGDFH-AGIUHOORSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000903973417 621492098 /nfs/dbraw/zinc/49/20/98/621492098.db2.gz CTYOYPMDJUFWPE-DTZQCDIJSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000903973911 621492237 /nfs/dbraw/zinc/49/22/37/621492237.db2.gz IVTYECCATSALNW-KXAWDHGWSA-N 2 0 262.372 2.674 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974141 621492370 /nfs/dbraw/zinc/49/23/70/621492370.db2.gz JYVVCBZEYINWKF-BFYDXBDKSA-N 2 0 260.425 2.761 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc2cccnc12 ZINC000903975132 621493148 /nfs/dbraw/zinc/49/31/48/621493148.db2.gz XUSPGRCAINFNOT-RHSMWYFYSA-N 2 0 283.419 2.878 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000903978789 621494072 /nfs/dbraw/zinc/49/40/72/621494072.db2.gz MGLYVBKECBKGJG-SIXLDLHFSA-N 2 0 258.409 2.625 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979003 621494411 /nfs/dbraw/zinc/49/44/11/621494411.db2.gz RQVJIOLHCGJXTI-UMVBOHGHSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1CC[NH3+] ZINC000903977806 621494417 /nfs/dbraw/zinc/49/44/17/621494417.db2.gz ZUPSRMCRKMRQDL-UKRRQHHQSA-N 2 0 288.435 2.817 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903966774 621496228 /nfs/dbraw/zinc/49/62/28/621496228.db2.gz BXEJGIBSHWJSAY-VYDXJSESSA-N 2 0 260.425 2.761 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967479 621496246 /nfs/dbraw/zinc/49/62/46/621496246.db2.gz JXMFHYRRVFRORV-HYVNUMGLSA-N 2 0 260.425 2.761 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966787 621496258 /nfs/dbraw/zinc/49/62/58/621496258.db2.gz CCRISQUVAACGQA-NFAWXSAZSA-N 2 0 264.388 2.592 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000903986164 621498994 /nfs/dbraw/zinc/49/89/94/621498994.db2.gz HCSGCZOBZQAPMD-ORBLRFAASA-N 3 0 279.472 2.643 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903988474 621500119 /nfs/dbraw/zinc/50/01/19/621500119.db2.gz SQKBSJWLTSWWJQ-HZPDHXFCSA-N 2 0 275.440 2.928 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000904299584 621567908 /nfs/dbraw/zinc/56/79/08/621567908.db2.gz IRSKMUSAAFUDII-ZDUSSCGKSA-N 2 0 274.408 2.571 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904299944 621568142 /nfs/dbraw/zinc/56/81/42/621568142.db2.gz SBTLWPGIRBWAFW-SJPCQFCGSA-N 2 0 286.419 2.726 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308249 621570430 /nfs/dbraw/zinc/57/04/30/621570430.db2.gz NWFYIIRDTPKMDU-JBLDHEPKSA-N 2 0 254.324 2.695 20 0 CFADRP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312194 621570985 /nfs/dbraw/zinc/57/09/85/621570985.db2.gz OHTOVDYBFBBEBP-NTZNESFSSA-N 2 0 250.411 2.795 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000904317525 621572455 /nfs/dbraw/zinc/57/24/55/621572455.db2.gz ZZNXPOUEAMWHMH-HZPDHXFCSA-N 2 0 281.488 2.700 20 0 CFADRP C[C@]1(C[NH+]2CCC(OC3CCCC3)CC2)CCC[NH2+]C1 ZINC000904317764 621572947 /nfs/dbraw/zinc/57/29/47/621572947.db2.gz XIMIFLQFZCUTNK-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904322679 621574018 /nfs/dbraw/zinc/57/40/18/621574018.db2.gz HACHEDLJKWQIMY-QZTJIDSGSA-N 2 0 290.451 2.740 20 0 CFADRP CCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000904322380 621574342 /nfs/dbraw/zinc/57/43/42/621574342.db2.gz BAWNONXCZNUOPX-XLMAVXFVSA-N 2 0 294.483 2.902 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccc(F)cc2)CC2CC2)C1 ZINC000904322267 621574413 /nfs/dbraw/zinc/57/44/13/621574413.db2.gz UOFYCGTXAPSDTA-FZNQNYSPSA-N 2 0 262.372 2.775 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000904324098 621574971 /nfs/dbraw/zinc/57/49/71/621574971.db2.gz UPMSQPBGCTWSCW-HOTGVXAUSA-N 2 0 281.488 2.558 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000904323763 621575092 /nfs/dbraw/zinc/57/50/92/621575092.db2.gz SBBHWYLTPZWCQQ-GASCZTMLSA-N 2 0 273.424 2.609 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CCC[NH2+]C1 ZINC000904325307 621575531 /nfs/dbraw/zinc/57/55/31/621575531.db2.gz VNIGIVOBKQQQSY-ZWKOTPCHSA-N 2 0 287.451 2.953 20 0 CFADRP CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904324477 621575776 /nfs/dbraw/zinc/57/57/76/621575776.db2.gz HLGGHNYCASFYNS-ZWKOTPCHSA-N 2 0 290.451 2.649 20 0 CFADRP Cc1ccc(N2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)[C@@H](C)C2)cc1C ZINC000904340867 621578079 /nfs/dbraw/zinc/57/80/79/621578079.db2.gz MKGLJQGQFPXBHA-YESZJQIVSA-N 2 0 287.451 2.551 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1C ZINC000904340330 621578385 /nfs/dbraw/zinc/57/83/85/621578385.db2.gz HIVOAAREGIYFCT-QLFBSQMISA-N 2 0 269.477 2.555 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000904343807 621579049 /nfs/dbraw/zinc/57/90/49/621579049.db2.gz XLPCJZMAVWVBTD-JKSUJKDBSA-N 2 0 282.472 2.889 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000904346594 621579792 /nfs/dbraw/zinc/57/97/92/621579792.db2.gz UTRQFJSCTBOAEK-ZFVVBOAOSA-N 2 0 292.398 2.715 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000904354135 621580849 /nfs/dbraw/zinc/58/08/49/621580849.db2.gz BAAASPABIUTYSO-AWEZNQCLSA-N 2 0 291.439 2.734 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CNC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904353210 621581110 /nfs/dbraw/zinc/58/11/10/621581110.db2.gz IRAXDPPRKCUGSL-QZTJIDSGSA-N 2 0 289.467 2.789 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1 ZINC000904358287 621583656 /nfs/dbraw/zinc/58/36/56/621583656.db2.gz JMYDHUSWSQDZHD-INIZCTEOSA-N 2 0 284.407 2.788 20 0 CFADRP Cc1nc(CC[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)cs1 ZINC000904367245 621583730 /nfs/dbraw/zinc/58/37/30/621583730.db2.gz XYYFJWPZUZDCID-LBPRGKRZSA-N 2 0 269.458 2.737 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccccc1 ZINC000904364056 621585347 /nfs/dbraw/zinc/58/53/47/621585347.db2.gz QRZZIKGILVXALI-QGZVFWFLSA-N 2 0 289.467 2.787 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000904366625 621585810 /nfs/dbraw/zinc/58/58/10/621585810.db2.gz NGJANHFXAUIHOV-HZSPNIEDSA-N 2 0 293.842 2.636 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C/C=C\c1ccccc1)CC2 ZINC000904392298 621586728 /nfs/dbraw/zinc/58/67/28/621586728.db2.gz OZLPGIQOTGLTJB-IMXKFXGHSA-N 2 0 286.419 2.530 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904376340 621586940 /nfs/dbraw/zinc/58/69/40/621586940.db2.gz PENGUOHSZUNWFQ-KBPBESRZSA-N 2 0 263.429 2.756 20 0 CFADRP C[C@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000904392984 621587278 /nfs/dbraw/zinc/58/72/78/621587278.db2.gz FZKAEKSLLBUTND-WBVHZDCISA-N 2 0 288.435 2.620 20 0 CFADRP C[C@@]1(C[NH+]2CCC([C@@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904378477 621587635 /nfs/dbraw/zinc/58/76/35/621587635.db2.gz DHCRJFRBWHDROU-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000904383609 621588098 /nfs/dbraw/zinc/58/80/98/621588098.db2.gz ABVSWEBKNMBLJX-RHSMWYFYSA-N 2 0 283.504 2.837 20 0 CFADRP C[NH+]1CCC2(CCN(C[C@H]([NH3+])CCC(C)(C)C)CC2)CC1 ZINC000904383921 621588317 /nfs/dbraw/zinc/58/83/17/621588317.db2.gz DAIWGUVZKAXKOU-MRXNPFEDSA-N 2 0 295.515 2.948 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000904409915 621590767 /nfs/dbraw/zinc/59/07/67/621590767.db2.gz KQKJLPWNTNOTPQ-JSGCOSHPSA-N 2 0 280.387 2.641 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C[NH3+] ZINC000904409912 621590878 /nfs/dbraw/zinc/59/08/78/621590878.db2.gz BAMPPHBWHUKTFM-WCQYABFASA-N 2 0 294.826 2.692 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C[NH3+] ZINC000904409913 621591155 /nfs/dbraw/zinc/59/11/55/621591155.db2.gz BAMPPHBWHUKTFM-YPMHNXCESA-N 2 0 294.826 2.692 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1OC(C)C ZINC000904410223 621591608 /nfs/dbraw/zinc/59/16/08/621591608.db2.gz MPZPTGFRLNTUGL-CQSZACIVSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1C[NH3+] ZINC000904412879 621593253 /nfs/dbraw/zinc/59/32/53/621593253.db2.gz YKOIVHAQYMLANV-NEPJUHHUSA-N 2 0 290.436 2.555 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc2cccnc12 ZINC000904411944 621593487 /nfs/dbraw/zinc/59/34/87/621593487.db2.gz QQBGUZSGCDYEBR-WMLDXEAASA-N 2 0 283.419 2.960 20 0 CFADRP COCC(C)(C)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904417031 621593851 /nfs/dbraw/zinc/59/38/51/621593851.db2.gz XDTAUAFOKGXCSQ-HNNXBMFYSA-N 2 0 282.472 2.761 20 0 CFADRP C([C@H]1CCCOC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416454 621593963 /nfs/dbraw/zinc/59/39/63/621593963.db2.gz MZGVZHZEKURUIH-HZPDHXFCSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC[NH2+]1 ZINC000904462120 621597175 /nfs/dbraw/zinc/59/71/75/621597175.db2.gz HOEJPMJNPGAJAY-URRYWWILSA-N 2 0 260.425 2.519 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC[NH2+]1 ZINC000904462118 621597204 /nfs/dbraw/zinc/59/72/04/621597204.db2.gz HOEJPMJNPGAJAY-IKIFYQGPSA-N 2 0 260.425 2.519 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000904443366 621598666 /nfs/dbraw/zinc/59/86/66/621598666.db2.gz HGXAVSLKJXFPOK-MJBXVCDLSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@]12CSC[C@H]1C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000904476779 621601641 /nfs/dbraw/zinc/60/16/41/621601641.db2.gz RIQHDWPPANAANP-DOMZBBRYSA-N 2 0 294.489 2.579 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCC[NH3+])cc2ccccc21 ZINC000904474479 621601701 /nfs/dbraw/zinc/60/17/01/621601701.db2.gz UUEIHJUIJSATTD-GFCCVEGCSA-N 2 0 258.365 2.848 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000904477891 621601737 /nfs/dbraw/zinc/60/17/37/621601737.db2.gz ZCBOURWKXLDLMV-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP CC(C)([NH3+])c1ccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000904474329 621601749 /nfs/dbraw/zinc/60/17/49/621601749.db2.gz DQCMYOJEZQCWNP-SFESLNEESA-N 2 0 273.424 2.823 20 0 CFADRP CC(C)C[C@@](C)(C[NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904709118 621627669 /nfs/dbraw/zinc/62/76/69/621627669.db2.gz SFFANFKXUXUPRM-INIZCTEOSA-N 2 0 299.378 2.647 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000905228703 621720259 /nfs/dbraw/zinc/72/02/59/621720259.db2.gz GJDYAVRFGBSMQY-QGZVFWFLSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000905228702 621720487 /nfs/dbraw/zinc/72/04/87/621720487.db2.gz GJDYAVRFGBSMQY-KRWDZBQOSA-N 2 0 290.451 2.740 20 0 CFADRP C1C[NH2+][C@H](c2noc([C@@H]3CCCCC34CC[NH2+]CC4)n2)C1 ZINC000905304273 621746670 /nfs/dbraw/zinc/74/66/70/621746670.db2.gz JWKJDDWTXMOMOY-STQMWFEESA-N 2 0 290.411 2.522 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cncs3)cc2)CC1 ZINC000905306665 621747075 /nfs/dbraw/zinc/74/70/75/621747075.db2.gz DTPNUQPDDCEKDF-UHFFFAOYSA-N 2 0 273.405 2.733 20 0 CFADRP CC[C@](O)(C[NH2+]C1CCC(C)([NH+](C)C)CC1)C(F)(F)F ZINC000905405042 621759822 /nfs/dbraw/zinc/75/98/22/621759822.db2.gz NSOOVPNWQGDDHO-BPCQOVAHSA-N 2 0 296.377 2.542 20 0 CFADRP COc1ccccc1-c1ccc(C[NH2+]C2CC([NH3+])C2)cc1 ZINC000906511535 621995520 /nfs/dbraw/zinc/99/55/20/621995520.db2.gz ZUJUDFVCCOXUHP-UHFFFAOYSA-N 2 0 282.387 2.942 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000906517965 621996611 /nfs/dbraw/zinc/99/66/11/621996611.db2.gz LCBUQQSDQSWHFL-OASPWFOLSA-N 2 0 272.314 2.888 20 0 CFADRP CCc1ccc([C@H](CNc2cc(C)[nH+]c(N)n2)[NH+](C)C)cc1 ZINC000043532870 622175864 /nfs/dbraw/zinc/17/58/64/622175864.db2.gz MMQRQLTVLZTXMY-HNNXBMFYSA-N 2 0 299.422 2.644 20 0 CFADRP Cc1cc(Br)cc(CNCCC[NH+](C)C)c1 ZINC000163566696 622210163 /nfs/dbraw/zinc/21/01/63/622210163.db2.gz PARYXQJLSXYKIM-UHFFFAOYSA-N 2 0 285.229 2.799 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000150137117 622407306 /nfs/dbraw/zinc/40/73/06/622407306.db2.gz BSXXMICIZBUBIK-UHFFFAOYSA-N 2 0 254.324 2.984 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911848204 622563687 /nfs/dbraw/zinc/56/36/87/622563687.db2.gz WBELXMIYIUANNA-WFASDCNBSA-N 2 0 275.396 2.518 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820806741 622761198 /nfs/dbraw/zinc/76/11/98/622761198.db2.gz PXFUZZJVHGVQQQ-WMLDXEAASA-N 2 0 276.424 2.968 20 0 CFADRP CC[C@H](C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809594 622762354 /nfs/dbraw/zinc/76/23/54/622762354.db2.gz DPZFCULFYKFKDA-SMMMKCNCSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C[C@H](C)O ZINC000820811650 622763368 /nfs/dbraw/zinc/76/33/68/622763368.db2.gz TXYYOAXKBBSWFJ-ILXRZTDVSA-N 2 0 278.440 2.806 20 0 CFADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]2CCO[C@@H]21 ZINC000820810756 622763560 /nfs/dbraw/zinc/76/35/60/622763560.db2.gz DDTKJOVRMSLOEM-HAFMPMKPSA-N 2 0 290.451 2.547 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1 ZINC000821362695 622904141 /nfs/dbraw/zinc/90/41/41/622904141.db2.gz OHJUSOXBWSGCCG-DLBZAZTESA-N 2 0 282.472 2.998 20 0 CFADRP C[N@H+](Cc1cc(F)cc(F)c1)C1CCC([NH3+])CC1 ZINC000157106723 622989653 /nfs/dbraw/zinc/98/96/53/622989653.db2.gz IUUJBHAPTNCYHL-UHFFFAOYSA-N 2 0 254.324 2.667 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000225151013 623028611 /nfs/dbraw/zinc/02/86/11/623028611.db2.gz KUQGUBWVWFRGJE-BXUZGUMPSA-N 2 0 252.427 2.918 20 0 CFADRP C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000822634721 623140404 /nfs/dbraw/zinc/14/04/04/623140404.db2.gz KFZADECCWGVTSY-NEPJUHHUSA-N 2 0 279.255 2.844 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)CC[NH2+]C(C)(C)C)c(F)c1 ZINC000822651375 623142955 /nfs/dbraw/zinc/14/29/55/623142955.db2.gz ABTIWWADRCLLNX-UHFFFAOYSA-N 2 0 295.402 2.604 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228495162 623146674 /nfs/dbraw/zinc/14/66/74/623146674.db2.gz UKMLNMPTHHTOBE-GFCCVEGCSA-N 2 0 294.826 2.836 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000229282962 623194427 /nfs/dbraw/zinc/19/44/27/623194427.db2.gz JFUGPYWLRXOYNV-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000229282955 623194701 /nfs/dbraw/zinc/19/47/01/623194701.db2.gz JFUGPYWLRXOYNV-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@@H]1CC1(Cl)Cl ZINC000823015453 623220350 /nfs/dbraw/zinc/22/03/50/623220350.db2.gz DRJIRXOLVQQRSD-GFCCVEGCSA-N 2 0 279.255 2.988 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCCCCSC)CC1 ZINC000230405749 623273285 /nfs/dbraw/zinc/27/32/85/623273285.db2.gz BVEOXAVEHNXLSO-UHFFFAOYSA-N 2 0 258.475 2.984 20 0 CFADRP FC(F)(F)SCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000231938516 623376554 /nfs/dbraw/zinc/37/65/54/623376554.db2.gz PYVYLOHGTZVTEV-AXFHLTTASA-N 2 0 282.375 2.750 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000823841648 623403984 /nfs/dbraw/zinc/40/39/84/623403984.db2.gz HSBMFXMNSPBWII-CABCVRRESA-N 2 0 281.488 2.569 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000929637026 623497993 /nfs/dbraw/zinc/49/79/93/623497993.db2.gz ALLFFMVJHVWQGZ-KNIAUWFNSA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000929637024 623498176 /nfs/dbraw/zinc/49/81/76/623498176.db2.gz ALLFFMVJHVWQGZ-GRAKBVBRSA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000929637590 623499187 /nfs/dbraw/zinc/49/91/87/623499187.db2.gz KVQIRCXKWOSGHC-HNNXBMFYSA-N 2 0 250.430 2.840 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089144597 623572057 /nfs/dbraw/zinc/57/20/57/623572057.db2.gz MXMAFYRLKYNLHR-GOEBONIOSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[C@@H](C)O1 ZINC000825302861 623667132 /nfs/dbraw/zinc/66/71/32/623667132.db2.gz ALELRHJIDHNOMP-MTSZKFMLSA-N 2 0 280.456 2.654 20 0 CFADRP C1CC1[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000825325140 623671752 /nfs/dbraw/zinc/67/17/52/623671752.db2.gz BFCRAOHSQSLWCS-JYSRZZCRSA-N 2 0 292.467 2.941 20 0 CFADRP Cc1cc(NC[C@H](C(C)C)[NH+]2CCCCCC2)nc(N)[nH+]1 ZINC000914571995 623900405 /nfs/dbraw/zinc/90/04/05/623900405.db2.gz BELSKHLDEPWHDF-CQSZACIVSA-N 2 0 291.443 2.680 20 0 CFADRP CCCC[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000915228716 624002469 /nfs/dbraw/zinc/00/24/69/624002469.db2.gz WEDOHOGKPHHMNS-SFHVURJKSA-N 2 0 289.467 2.755 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC000828457841 624250154 /nfs/dbraw/zinc/25/01/54/624250154.db2.gz XXTPIQWLKWJZTA-INIZCTEOSA-N 2 0 280.456 2.611 20 0 CFADRP Cc1cccc(CC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000828456749 624250211 /nfs/dbraw/zinc/25/02/11/624250211.db2.gz IQPZUGDJMHCZPE-UHFFFAOYSA-N 2 0 287.451 2.740 20 0 CFADRP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479655 624714171 /nfs/dbraw/zinc/71/41/71/624714171.db2.gz JEHAJQNOAQGSBG-SJLPKXTDSA-N 3 0 289.467 2.788 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000261540627 624969235 /nfs/dbraw/zinc/96/92/35/624969235.db2.gz AICPAYCDEOAISM-GXTWGEPZSA-N 2 0 297.240 2.709 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000831465258 625030863 /nfs/dbraw/zinc/03/08/63/625030863.db2.gz GVPAGJBAKVBEFF-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000921515270 625964705 /nfs/dbraw/zinc/96/47/05/625964705.db2.gz YOYGOIJVTNRJQI-UHFFFAOYSA-N 2 0 298.434 2.960 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000921617284 625994135 /nfs/dbraw/zinc/99/41/35/625994135.db2.gz CHJOLTDYUFCTPZ-RBSFLKMASA-N 2 0 270.486 2.981 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921686964 626079830 /nfs/dbraw/zinc/07/98/30/626079830.db2.gz SLZOCRBWIRWXTF-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921686965 626080076 /nfs/dbraw/zinc/08/00/76/626080076.db2.gz SLZOCRBWIRWXTF-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)o1 ZINC000073650551 626104286 /nfs/dbraw/zinc/10/42/86/626104286.db2.gz JSQFLNLVFJEYPL-UHFFFAOYSA-N 2 0 258.365 2.939 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCc3nccn3C2)c(C)c1 ZINC000922025873 626198308 /nfs/dbraw/zinc/19/83/08/626198308.db2.gz QDPNRBYEEVCDPB-AWEZNQCLSA-N 2 0 285.391 2.552 20 0 CFADRP c1cc2c(c(C[NH2+]CCCCC[NH+]3CCCC3)c1)OCC2 ZINC000922147400 626217516 /nfs/dbraw/zinc/21/75/16/626217516.db2.gz VMRKYCJFJNMNRB-UHFFFAOYSA-N 2 0 288.435 2.977 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C1CC1 ZINC000922172081 626230540 /nfs/dbraw/zinc/23/05/40/626230540.db2.gz QADAMHBRVSRMFS-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000922181771 626233171 /nfs/dbraw/zinc/23/31/71/626233171.db2.gz ZBCPXXHSRMKQRJ-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1n[nH]c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC000922503866 626299368 /nfs/dbraw/zinc/29/93/68/626299368.db2.gz KGKMBBLBLPMDKO-UHFFFAOYSA-N 2 0 290.455 2.913 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000922504923 626299445 /nfs/dbraw/zinc/29/94/45/626299445.db2.gz OYFCDFNNXQIDBF-UHFFFAOYSA-N 2 0 261.413 2.901 20 0 CFADRP C=Cn1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000922505000 626299511 /nfs/dbraw/zinc/29/95/11/626299511.db2.gz PLKPLNNRAGYSKP-UHFFFAOYSA-N 2 0 288.439 2.870 20 0 CFADRP CCCCC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186564757 626347046 /nfs/dbraw/zinc/34/70/46/626347046.db2.gz SENSVPHXWVHGAK-HZPDHXFCSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1ncc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000922847646 626380059 /nfs/dbraw/zinc/38/00/59/626380059.db2.gz CEDUNHFQXJWTKN-UHFFFAOYSA-N 2 0 279.453 2.948 20 0 CFADRP Cn1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922847402 626380163 /nfs/dbraw/zinc/38/01/63/626380163.db2.gz OPLUWLRBBUJKBI-UHFFFAOYSA-N 2 0 261.413 2.522 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2nccs2)CC1 ZINC000922847067 626380215 /nfs/dbraw/zinc/38/02/15/626380215.db2.gz JSFGHWVJBSQMCT-UHFFFAOYSA-N 2 0 265.426 2.640 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000922844596 626380689 /nfs/dbraw/zinc/38/06/89/626380689.db2.gz FXJTWBBKYYXZLG-NFOMZHRRSA-N 2 0 268.470 2.736 20 0 CFADRP CC(C)n1nccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922844869 626380797 /nfs/dbraw/zinc/38/07/97/626380797.db2.gz IXMSBYUSEVZGRN-UHFFFAOYSA-N 2 0 290.455 2.961 20 0 CFADRP CC(C)[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(C)c1 ZINC000922890378 626394228 /nfs/dbraw/zinc/39/42/28/626394228.db2.gz MBPTWHWPRXYKCH-LSDHHAIUSA-N 2 0 278.444 2.580 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CCC[NH2+]C2CC2)C1 ZINC000923315718 626465107 /nfs/dbraw/zinc/46/51/07/626465107.db2.gz YQUNJLPLPBCOOB-UONOGXRCSA-N 2 0 256.459 2.735 20 0 CFADRP CCCCCC[C@@H](O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000923293941 626463565 /nfs/dbraw/zinc/46/35/65/626463565.db2.gz AWUGFHQLQKEFCA-MRXNPFEDSA-N 2 0 270.461 2.639 20 0 CFADRP CCCCCC[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923294546 626463652 /nfs/dbraw/zinc/46/36/52/626463652.db2.gz NARADJULDOEOSQ-YMAMQOFZSA-N 2 0 256.434 2.519 20 0 CFADRP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300888 626464452 /nfs/dbraw/zinc/46/44/52/626464452.db2.gz LVKANLROYLBQLB-IAGOWNOFSA-N 2 0 286.419 2.510 20 0 CFADRP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304282 626464751 /nfs/dbraw/zinc/46/47/51/626464751.db2.gz QNEWIBXGAWQFTE-CHWSQXEVSA-N 2 0 294.826 2.711 20 0 CFADRP C[N@H+](CCC1CCOCC1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923314361 626465313 /nfs/dbraw/zinc/46/53/13/626465313.db2.gz UQPJNQMWJZTMOC-ALOPSCKCSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](O)C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000923311899 626465769 /nfs/dbraw/zinc/46/57/69/626465769.db2.gz ATTKFTOCMYCICY-MGNMYUMUSA-N 2 0 294.483 2.923 20 0 CFADRP CCCCCC[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329678 626466064 /nfs/dbraw/zinc/46/60/64/626466064.db2.gz XBLXZCNZVIZMPG-VFSICIBPSA-N 2 0 268.445 2.533 20 0 CFADRP c1c[nH]c(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000923323544 626466477 /nfs/dbraw/zinc/46/64/77/626466477.db2.gz IUONDPHKDBQMSF-VHRNVKJDSA-N 2 0 288.439 2.510 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)cc1 ZINC000923378023 626469351 /nfs/dbraw/zinc/46/93/51/626469351.db2.gz YXIJRGHPNVOTFY-LSDHHAIUSA-N 2 0 294.826 2.759 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384991 626469969 /nfs/dbraw/zinc/46/99/69/626469969.db2.gz RPZDAMAWGXEYJV-OWCLPIDISA-N 2 0 292.467 2.513 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1CC3CCC1CC3)CC2 ZINC000923444141 626473123 /nfs/dbraw/zinc/47/31/23/626473123.db2.gz HGYQKINQZWVRPJ-BACDZXNISA-N 2 0 292.467 2.643 20 0 CFADRP C[C@@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)CC(C)(C)C ZINC000923444258 626473198 /nfs/dbraw/zinc/47/31/98/626473198.db2.gz IDEGYVHXKFCROH-CABCVRRESA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H]1CC3CCC1CC3)CC2 ZINC000923444143 626473363 /nfs/dbraw/zinc/47/33/63/626473363.db2.gz HGYQKINQZWVRPJ-BHUNQDJPSA-N 2 0 292.467 2.643 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000923458349 626473930 /nfs/dbraw/zinc/47/39/30/626473930.db2.gz OHGKFAPWARRPIT-HNNXBMFYSA-N 2 0 294.826 2.670 20 0 CFADRP C[C@H](c1ccccc1F)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450742 626474104 /nfs/dbraw/zinc/47/41/04/626474104.db2.gz WZCOVWYPPFCJAF-ZIAGYGMSSA-N 2 0 292.398 2.717 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000923480665 626475811 /nfs/dbraw/zinc/47/58/11/626475811.db2.gz ZJUMKRJVPBQHKQ-GFCCVEGCSA-N 2 0 297.240 2.662 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000923478980 626476043 /nfs/dbraw/zinc/47/60/43/626476043.db2.gz KYQXSIXDWPIWGS-KBAYOESNSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2ccsc2)CC[C@@H]1C[NH3+] ZINC000923496048 626476412 /nfs/dbraw/zinc/47/64/12/626476412.db2.gz ZCMNFNQTTVKSGB-TZMCWYRMSA-N 2 0 252.427 2.597 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1C[NH3+] ZINC000923493348 626476626 /nfs/dbraw/zinc/47/66/26/626476626.db2.gz SOHSZESDJXOWDQ-IUODEOHRSA-N 2 0 257.381 2.585 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@@H]1C[NH3+] ZINC000923490990 626476669 /nfs/dbraw/zinc/47/66/69/626476669.db2.gz POPFHTPLLMEBSU-UONOGXRCSA-N 2 0 269.392 2.652 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923496809 626477068 /nfs/dbraw/zinc/47/70/68/626477068.db2.gz JORWSJJFONVMCR-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H]1C[N@H+](Cc2csc(-c3ccco3)n2)CC[C@@H]1C[NH3+] ZINC000923498827 626477113 /nfs/dbraw/zinc/47/71/13/626477113.db2.gz QDKVZRUNQIJDQS-NWDGAFQWSA-N 2 0 291.420 2.820 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500342 626477275 /nfs/dbraw/zinc/47/72/75/626477275.db2.gz WUNRZLWOEDRZCP-WBVHZDCISA-N 2 0 260.425 2.844 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C[NH3+] ZINC000923500685 626477311 /nfs/dbraw/zinc/47/73/11/626477311.db2.gz WVOKECMFBJZFRU-PWSUYJOCSA-N 2 0 270.779 2.896 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500768 626477357 /nfs/dbraw/zinc/47/73/57/626477357.db2.gz YASTZZGCQVTKHF-CABCVRRESA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC000923500600 626477528 /nfs/dbraw/zinc/47/75/28/626477528.db2.gz WDXSZICAXQZFNS-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)CC[C@@H]1C[NH3+] ZINC000923501342 626477584 /nfs/dbraw/zinc/47/75/84/626477584.db2.gz QSJOUFHWVDZTNI-NWDGAFQWSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@H]1C[N@H+](CCSc2ccccc2)CC[C@H]1C[NH3+] ZINC000923500951 626477589 /nfs/dbraw/zinc/47/75/89/626477589.db2.gz SLNZNLOGYFRGOV-KBPBESRZSA-N 2 0 264.438 2.695 20 0 CFADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505418 626477704 /nfs/dbraw/zinc/47/77/04/626477704.db2.gz CGLNSTYZRQVVPF-ZOBUZTSGSA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000923507009 626477829 /nfs/dbraw/zinc/47/78/29/626477829.db2.gz MUAPORWTDAECJP-INMHGKMJSA-N 2 0 280.456 2.513 20 0 CFADRP c1cc(CC[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)sn1 ZINC000923507732 626477927 /nfs/dbraw/zinc/47/79/27/626477927.db2.gz RBBFQAAGAVQMEJ-AWEZNQCLSA-N 2 0 293.480 2.787 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515847 626478225 /nfs/dbraw/zinc/47/82/25/626478225.db2.gz ONDHZCFYQHUUPB-JKSUJKDBSA-N 2 0 273.424 2.555 20 0 CFADRP c1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc2c1 ZINC000923520415 626478440 /nfs/dbraw/zinc/47/84/40/626478440.db2.gz YQTCZBSGQWEGAM-ZWKOTPCHSA-N 2 0 266.388 2.881 20 0 CFADRP CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCCCCCC[NH3+] ZINC000923555651 626479463 /nfs/dbraw/zinc/47/94/63/626479463.db2.gz TYOLSXQCWIELIG-MRXNPFEDSA-N 2 0 269.477 2.558 20 0 CFADRP [NH3+]CC[C@H]1CN(CCCC2CC[NH2+]CC2)c2ccccc21 ZINC000923553143 626479488 /nfs/dbraw/zinc/47/94/88/626479488.db2.gz HMQXYMQZWBKSRW-INIZCTEOSA-N 2 0 287.451 2.719 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000839051835 626521784 /nfs/dbraw/zinc/52/17/84/626521784.db2.gz YGEGFOJFLZZUDI-UHFFFAOYSA-N 2 0 298.471 2.677 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000839179830 626529829 /nfs/dbraw/zinc/52/98/29/626529829.db2.gz ADSMLBKSVDJWTC-LBPRGKRZSA-N 2 0 267.804 2.557 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000763415473 626987511 /nfs/dbraw/zinc/98/75/11/626987511.db2.gz RQJYLKMWKKPXGH-KBXIAJHMSA-N 2 0 294.464 2.777 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000764838273 627100171 /nfs/dbraw/zinc/10/01/71/627100171.db2.gz CNGREPNFYGRIMO-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC12CCCCC2 ZINC000765087429 627118244 /nfs/dbraw/zinc/11/82/44/627118244.db2.gz LXJZUDDECNPOKD-IRXDYDNUSA-N 2 0 294.483 2.735 20 0 CFADRP COC[C@H](CC(C)C)[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000765252053 627126516 /nfs/dbraw/zinc/12/65/16/627126516.db2.gz PURYIMHBACJDDW-GJZGRUSLSA-N 2 0 281.444 2.949 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000765780093 627157499 /nfs/dbraw/zinc/15/74/99/627157499.db2.gz NFZSRAOYCXGWMB-OAHLLOKOSA-N 2 0 278.371 2.581 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000765805407 627159065 /nfs/dbraw/zinc/15/90/65/627159065.db2.gz BCFHRNRKSAEMJP-OWCLPIDISA-N 2 0 282.472 2.900 20 0 CFADRP FC(F)C1CC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000768705818 627365730 /nfs/dbraw/zinc/36/57/30/627365730.db2.gz BSRZIDPOYBIJSH-UHFFFAOYSA-N 2 0 295.377 2.931 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000768997749 627393657 /nfs/dbraw/zinc/39/36/57/627393657.db2.gz GXMUXCPPLALGMB-UHFFFAOYSA-N 2 0 288.435 2.881 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2CCOCC2)cc1 ZINC000769383334 627432655 /nfs/dbraw/zinc/43/26/55/627432655.db2.gz HYZUALGFDSEJGQ-UHFFFAOYSA-N 2 0 276.424 2.607 20 0 CFADRP CCn1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000769428582 627437728 /nfs/dbraw/zinc/43/77/28/627437728.db2.gz UFIRLVDXCZCWBT-UHFFFAOYSA-N 2 0 286.423 2.597 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC3)[C@H](C)C1 ZINC000769485915 627446712 /nfs/dbraw/zinc/44/67/12/627446712.db2.gz PWLIYYCGGXRZOL-RDTXWAMCSA-N 2 0 288.435 2.879 20 0 CFADRP CC[C@H]1CCCCN1CC[NH2+]C1CC(C(F)F)C1 ZINC000769514882 627449828 /nfs/dbraw/zinc/44/98/28/627449828.db2.gz BYJABGBQANUOSY-BPCQOVAHSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000770349220 627515082 /nfs/dbraw/zinc/51/50/82/627515082.db2.gz CGAVCNHWNCYIFI-YJBOKZPZSA-N 2 0 286.419 2.633 20 0 CFADRP CC[NH+](CC)CCOC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000772242215 627690525 /nfs/dbraw/zinc/69/05/25/627690525.db2.gz DWAAZLRUFSPGFE-UHFFFAOYSA-N 2 0 284.444 2.524 20 0 CFADRP COc1ccc2c(NC[C@H](C3CC3)[NH+](C)C)cc[nH+]c2c1 ZINC000774529100 627935118 /nfs/dbraw/zinc/93/51/18/627935118.db2.gz NOVMLSAOOAEAIA-QGZVFWFLSA-N 2 0 285.391 2.996 20 0 CFADRP COc1ccc2c(NC[C@@H](C3CC3)[NH+](C)C)cc[nH+]c2c1 ZINC000774529098 627935347 /nfs/dbraw/zinc/93/53/47/627935347.db2.gz NOVMLSAOOAEAIA-KRWDZBQOSA-N 2 0 285.391 2.996 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000779340358 628375174 /nfs/dbraw/zinc/37/51/74/628375174.db2.gz CAMICIHZDILIHQ-INIZCTEOSA-N 2 0 290.451 2.779 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852105130 634659269 /nfs/dbraw/zinc/65/92/69/634659269.db2.gz ISLWCYOQPVHJEA-IRXDYDNUSA-N 2 0 282.472 2.735 20 0 CFADRP CO[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000852115449 634662563 /nfs/dbraw/zinc/66/25/63/634662563.db2.gz GROOQJAJXIFFMN-ZWKOTPCHSA-N 2 0 288.435 2.808 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000785837244 628916176 /nfs/dbraw/zinc/91/61/76/628916176.db2.gz MLZCDEUGCHSRDT-STQMWFEESA-N 2 0 285.391 2.772 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)nc2C)C[C@H]1C ZINC000787184420 628998009 /nfs/dbraw/zinc/99/80/09/628998009.db2.gz YRHIGPPQSXOJQJ-IUODEOHRSA-N 2 0 279.403 2.834 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000788486029 629074135 /nfs/dbraw/zinc/07/41/35/629074135.db2.gz PNHZUHDWAFCLBV-MRXNPFEDSA-N 2 0 259.397 2.560 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788540441 629080069 /nfs/dbraw/zinc/08/00/69/629080069.db2.gz RLTPVFYQJKBOFU-KFWWJZLASA-N 2 0 291.439 2.806 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788672893 629090568 /nfs/dbraw/zinc/09/05/68/629090568.db2.gz SYMGPWLENVZYCQ-CABCVRRESA-N 2 0 291.439 2.806 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000788786180 629099781 /nfs/dbraw/zinc/09/97/81/629099781.db2.gz WKEXUWHFMCQXNE-CYBMUJFWSA-N 2 0 277.412 2.560 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000790749614 629259950 /nfs/dbraw/zinc/25/99/50/629259950.db2.gz ZHBOHEGKAKKTJD-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@@H](O)c1ccccc1 ZINC000794615749 629668941 /nfs/dbraw/zinc/66/89/41/629668941.db2.gz YVLMZCPEYYKJCZ-BZSNNMDCSA-N 2 0 290.451 2.819 20 0 CFADRP CCCCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000796575727 629937374 /nfs/dbraw/zinc/93/73/74/629937374.db2.gz POSFEMWPMMCLRJ-UHFFFAOYSA-N 2 0 277.412 2.793 20 0 CFADRP OC1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000796796245 629968321 /nfs/dbraw/zinc/96/83/21/629968321.db2.gz BYTWBNVNWUOYGM-UHFFFAOYSA-N 2 0 280.456 2.677 20 0 CFADRP COC1CCC(C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000796799063 629969161 /nfs/dbraw/zinc/96/91/61/629969161.db2.gz PURFAILIWHXMNM-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000797063156 630011815 /nfs/dbraw/zinc/01/18/15/630011815.db2.gz RNNVSJYHOMYVAQ-QAPCUYQASA-N 2 0 290.451 2.879 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797066979 630011854 /nfs/dbraw/zinc/01/18/54/630011854.db2.gz WHBORIIGHAHNKP-RVKKMQEKSA-N 2 0 290.451 2.737 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178631 630284278 /nfs/dbraw/zinc/28/42/78/630284278.db2.gz ZCBIOXCBZHRBHO-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799191007 630286152 /nfs/dbraw/zinc/28/61/52/630286152.db2.gz GZMIYHBZBUKAQA-HOTGVXAUSA-N 2 0 273.424 2.745 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]C2CCCCCCC2)CC1(C)C ZINC000799346042 630302522 /nfs/dbraw/zinc/30/25/22/630302522.db2.gz UMFCBRIXQQRDHT-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP C[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000802636253 630533684 /nfs/dbraw/zinc/53/36/84/630533684.db2.gz BCHHBSBMQRHCOM-CQSZACIVSA-N 2 0 261.413 2.886 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000852747980 634822272 /nfs/dbraw/zinc/82/22/72/634822272.db2.gz FHJNJBDQKCZREY-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC=C(Cl)Cl)C2)C1 ZINC000852752994 634825737 /nfs/dbraw/zinc/82/57/37/634825737.db2.gz SUXBEWWGDAKZGG-UTUOFQBUSA-N 2 0 293.238 2.524 20 0 CFADRP [NH3+]CCCCCCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000852755876 634825880 /nfs/dbraw/zinc/82/58/80/634825880.db2.gz JNUWCKFKOAQNGD-MRXNPFEDSA-N 2 0 275.440 2.676 20 0 CFADRP [NH3+]C1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000843103746 630633382 /nfs/dbraw/zinc/63/33/82/630633382.db2.gz BUFYGNZVSBJHMB-UPHRSURJSA-N 2 0 266.335 2.838 20 0 CFADRP CC(C)c1cnc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000843105628 630658405 /nfs/dbraw/zinc/65/84/05/630658405.db2.gz ZMDIJVCHPWTZFR-UHFFFAOYSA-N 2 0 253.415 2.626 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806130536 630770717 /nfs/dbraw/zinc/77/07/17/630770717.db2.gz ADRAMZKODDTWOG-YPMHNXCESA-N 2 0 279.815 2.654 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]CCCCCC[NH3+])cn1 ZINC000843126980 630807658 /nfs/dbraw/zinc/80/76/58/630807658.db2.gz BOFUQBFVPXPRMR-UHFFFAOYSA-N 2 0 278.444 2.535 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000809606530 631244590 /nfs/dbraw/zinc/24/45/90/631244590.db2.gz WAFSHVOOAMHUIO-IAGOWNOFSA-N 2 0 273.424 2.539 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)o1 ZINC000809767948 631284454 /nfs/dbraw/zinc/28/44/54/631284454.db2.gz YUIXLCQGWYYQRE-GOEBONIOSA-N 2 0 262.397 2.813 20 0 CFADRP C[N@H+](CCCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000104084065 631293934 /nfs/dbraw/zinc/29/39/34/631293934.db2.gz YYXUNTWTFFQRNU-UHFFFAOYSA-N 2 0 260.425 2.893 20 0 CFADRP Cc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000841006900 631302231 /nfs/dbraw/zinc/30/22/31/631302231.db2.gz OZGJRANWDPMPOQ-LSDHHAIUSA-N 2 0 258.409 2.741 20 0 CFADRP Cc1cccc([C@@H](O)C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000841022423 631308386 /nfs/dbraw/zinc/30/83/86/631308386.db2.gz TUOISFFRPZCGIK-IBGZPJMESA-N 2 0 298.430 2.879 20 0 CFADRP COc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1F ZINC000841035444 631314997 /nfs/dbraw/zinc/31/49/97/631314997.db2.gz ZYODKWMUXSEYLP-UHFFFAOYSA-N 2 0 288.366 2.625 20 0 CFADRP CCOc1ccccc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841035482 631315158 /nfs/dbraw/zinc/31/51/58/631315158.db2.gz JXNHQFVYZLREIQ-UHFFFAOYSA-N 2 0 284.403 2.876 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[NH2+]1 ZINC000841061371 631327685 /nfs/dbraw/zinc/32/76/85/631327685.db2.gz HQXJGKZDAYGGML-IUODEOHRSA-N 2 0 274.408 2.630 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000841073023 631330232 /nfs/dbraw/zinc/33/02/32/631330232.db2.gz PAWZXLRJYOLPSC-MRXNPFEDSA-N 2 0 269.392 2.713 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cncc2ccccc21 ZINC000841073019 631331280 /nfs/dbraw/zinc/33/12/80/631331280.db2.gz PAWZXLRJYOLPSC-INIZCTEOSA-N 2 0 269.392 2.713 20 0 CFADRP CCCCC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088083 631336130 /nfs/dbraw/zinc/33/61/30/631336130.db2.gz WGCBDLNHRCRVLD-KLAILNCOSA-N 2 0 281.488 2.761 20 0 CFADRP [NH3+]C1CCC([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000841095364 631338500 /nfs/dbraw/zinc/33/85/00/631338500.db2.gz KHSWBCFMZWDRCK-DAWZGUTISA-N 2 0 284.403 2.733 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000841095873 631338754 /nfs/dbraw/zinc/33/87/54/631338754.db2.gz PQXVTBKYIPZTJA-SPYBWZPUSA-N 2 0 298.430 2.851 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000842472513 631639349 /nfs/dbraw/zinc/63/93/49/631639349.db2.gz CANFZHXOLVBRAJ-OAHLLOKOSA-N 2 0 256.434 2.644 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])C1Cc2ccccc2C1 ZINC000842472468 631639769 /nfs/dbraw/zinc/63/97/69/631639769.db2.gz YPJBEBPKLAGSBM-UHFFFAOYSA-N 2 0 260.425 2.995 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000842476435 631640426 /nfs/dbraw/zinc/64/04/26/631640426.db2.gz OJGQPPPQJGUDBU-GOSISDBHSA-N 2 0 290.451 2.839 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000842476197 631641070 /nfs/dbraw/zinc/64/10/70/631641070.db2.gz JATNTLDBNIBMSN-WMZOPIPTSA-N 3 0 293.499 2.844 20 0 CFADRP CCCCCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000842477958 631641648 /nfs/dbraw/zinc/64/16/48/631641648.db2.gz CRHGJQJRJQHKEY-CVEARBPZSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000842688445 631707012 /nfs/dbraw/zinc/70/70/12/631707012.db2.gz NYHACNXLJDKNRD-JWMHWRSXSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc3cccc(OC)c3o2)CC1 ZINC000843048986 631814718 /nfs/dbraw/zinc/81/47/18/631814718.db2.gz DGFQLJSEBSABLZ-UHFFFAOYSA-N 2 0 288.391 2.873 20 0 CFADRP CC(C)c1ncc(C[N@H+](C)C2CCC([NH3+])CC2)s1 ZINC000843055953 631819024 /nfs/dbraw/zinc/81/90/24/631819024.db2.gz SREVWYOBIXSLPF-UHFFFAOYSA-N 2 0 267.442 2.968 20 0 CFADRP Cn1cc(C[N@H+](C)C2CCC([NH3+])CC2)c(-c2ccccc2)n1 ZINC000843055687 631819160 /nfs/dbraw/zinc/81/91/60/631819160.db2.gz KONPREWYUBBDLU-UHFFFAOYSA-N 2 0 298.434 2.789 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000843103846 631835517 /nfs/dbraw/zinc/83/55/17/631835517.db2.gz FDEYELDJFHCWKV-UHFFFAOYSA-N 2 0 298.390 2.628 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000843126460 631845880 /nfs/dbraw/zinc/84/58/80/631845880.db2.gz GBDCMIXHYCTQMM-UHFFFAOYSA-N 2 0 272.396 2.685 20 0 CFADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCCC[NH3+] ZINC000843127277 631846773 /nfs/dbraw/zinc/84/67/73/631846773.db2.gz NFAYIIFHYUIZJQ-ZDUSSCGKSA-N 2 0 295.402 2.652 20 0 CFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCCCC[NH3+] ZINC000843127274 631847018 /nfs/dbraw/zinc/84/70/18/631847018.db2.gz NFAYIIFHYUIZJQ-CYBMUJFWSA-N 2 0 295.402 2.652 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1COC2 ZINC000843128366 631847372 /nfs/dbraw/zinc/84/73/72/631847372.db2.gz WXYOVUNPTPJYRJ-MRXNPFEDSA-N 2 0 286.419 2.538 20 0 CFADRP COc1ccc(C[NH2+]CCCCCC[NH3+])c(Cl)c1 ZINC000843129480 631849070 /nfs/dbraw/zinc/84/90/70/631849070.db2.gz UQCYLKYAZKVBAU-UHFFFAOYSA-N 2 0 270.804 2.957 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCCCC[NH3+] ZINC000843129196 631849159 /nfs/dbraw/zinc/84/91/59/631849159.db2.gz NGMCMJMUXCGVOL-ZDUSSCGKSA-N 2 0 252.377 2.865 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1(Cl)Cl ZINC000843340966 631931126 /nfs/dbraw/zinc/93/11/26/631931126.db2.gz WUCJEPDYKSOQON-NNYUYHANSA-N 2 0 277.239 2.548 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000843341483 631931132 /nfs/dbraw/zinc/93/11/32/631931132.db2.gz IURCNDFFFMMZCT-ARFHVFGLSA-N 2 0 268.445 2.690 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000843342414 631932470 /nfs/dbraw/zinc/93/24/70/631932470.db2.gz QHYXVBHUIDVRRU-OAHLLOKOSA-N 2 0 265.376 2.781 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843342971 631932486 /nfs/dbraw/zinc/93/24/86/631932486.db2.gz VYXKABQJCKINKN-NSHDSACASA-N 2 0 284.425 2.704 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000843343456 631933396 /nfs/dbraw/zinc/93/33/96/631933396.db2.gz URLYGDLUDFJEFN-OAHLLOKOSA-N 2 0 250.361 2.922 20 0 CFADRP Cc1ccccc1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843347136 631933717 /nfs/dbraw/zinc/93/37/17/631933717.db2.gz SJFVJEODKCMAJC-UHFFFAOYSA-N 2 0 274.408 2.590 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)no1 ZINC000843356846 631935975 /nfs/dbraw/zinc/93/59/75/631935975.db2.gz DYYPEQMCWFQFEZ-MRXNPFEDSA-N 2 0 277.412 2.900 20 0 CFADRP C[N@H+](Cc1cc(C(C)(C)C)on1)C1CCC([NH3+])CC1 ZINC000843354620 631936245 /nfs/dbraw/zinc/93/62/45/631936245.db2.gz FPUVMTGQBYDMPG-UHFFFAOYSA-N 2 0 265.401 2.674 20 0 CFADRP CC[C@H]1C[N@H+](CCOC2CCCCCC2)CC[C@H]1[NH3+] ZINC000843377855 631940905 /nfs/dbraw/zinc/94/09/05/631940905.db2.gz VURQUDKECVYMGK-GOEBONIOSA-N 2 0 268.445 2.785 20 0 CFADRP [NH3+]CCCCCCCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000843378740 631941668 /nfs/dbraw/zinc/94/16/68/631941668.db2.gz NXOTTWNJSSVWQA-QGZVFWFLSA-N 2 0 293.430 2.681 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000843387006 631942618 /nfs/dbraw/zinc/94/26/18/631942618.db2.gz PSBQMYDSPRQHKR-ZIAGYGMSSA-N 2 0 293.842 2.947 20 0 CFADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385414 631942760 /nfs/dbraw/zinc/94/27/60/631942760.db2.gz KXOQTPJJUWZPQX-QWHCGFSZSA-N 2 0 291.266 2.892 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000156268911 650050191 /nfs/dbraw/zinc/05/01/91/650050191.db2.gz DBTRGAKOBRYMMZ-CQSZACIVSA-N 2 0 262.422 2.765 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCC[NH3+])C[C@H]1C ZINC000844221525 632137069 /nfs/dbraw/zinc/13/70/69/632137069.db2.gz PJDSTYLJVNIBJH-HZPDHXFCSA-N 3 0 269.477 2.700 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000844901238 632331068 /nfs/dbraw/zinc/33/10/68/632331068.db2.gz GQOBHHVYEXSHRX-UHFFFAOYSA-N 2 0 268.788 2.567 20 0 CFADRP C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)[C@H]1CCCC[NH2+]1 ZINC000844923910 632337544 /nfs/dbraw/zinc/33/75/44/632337544.db2.gz UZCMLYOFFQOIRE-LOWDOPEQSA-N 2 0 262.800 2.811 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000844923453 632337668 /nfs/dbraw/zinc/33/76/68/632337668.db2.gz GMGKRUWTOZQSNP-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@]1(CC[NH2+]C2CCC(C[NH3+])CC2)C[C@@]1(F)Cl ZINC000844923620 632337677 /nfs/dbraw/zinc/33/76/77/632337677.db2.gz MKDBNFBUPFYIPY-TUUUFIMRSA-N 2 0 262.800 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccnc(Cl)c1 ZINC000844924715 632339083 /nfs/dbraw/zinc/33/90/83/632339083.db2.gz ZSRDLBVFLVTBHT-SNVBAGLBSA-N 2 0 253.777 2.515 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000844926236 632339594 /nfs/dbraw/zinc/33/95/94/632339594.db2.gz YBUCCXSOHONWIE-ZFWWWQNUSA-N 2 0 250.361 2.809 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CN[C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925485520 632362078 /nfs/dbraw/zinc/36/20/78/632362078.db2.gz CYTOGKPVOQXJJN-GDBMZVCRSA-N 2 0 289.467 2.846 20 0 CFADRP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217885 632664377 /nfs/dbraw/zinc/66/43/77/632664377.db2.gz IARYRCLYMYUSBG-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846227098 632668216 /nfs/dbraw/zinc/66/82/16/632668216.db2.gz GNTUHYUYYNPIDD-XHSDSOJGSA-N 2 0 268.445 2.928 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000817888683 632717412 /nfs/dbraw/zinc/71/74/12/632717412.db2.gz INPMBMGBWYUJDM-HZPDHXFCSA-N 2 0 289.467 2.935 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1-c1ccccc1 ZINC000817898337 632721831 /nfs/dbraw/zinc/72/18/31/632721831.db2.gz GLKPCGLVAYIIJO-KBPBESRZSA-N 2 0 286.423 2.959 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817898052 632721897 /nfs/dbraw/zinc/72/18/97/632721897.db2.gz CDSAXJMACKJWDL-JTQLQIEISA-N 2 0 267.442 2.641 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817899358 632722865 /nfs/dbraw/zinc/72/28/65/632722865.db2.gz NRTKVGYZGYCLGD-CABCVRRESA-N 2 0 280.387 2.844 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817899175 632723456 /nfs/dbraw/zinc/72/34/56/632723456.db2.gz DTDRGEJIJCFBFZ-CHWSQXEVSA-N 2 0 262.397 2.790 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901072 632724593 /nfs/dbraw/zinc/72/45/93/632724593.db2.gz SDABWZATZOJVRJ-CPFNUKBASA-N 3 0 293.499 2.891 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000817902676 632727441 /nfs/dbraw/zinc/72/74/41/632727441.db2.gz WROLGWOWHYTXCO-KFWWJZLASA-N 2 0 293.842 2.788 20 0 CFADRP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817905274 632727857 /nfs/dbraw/zinc/72/78/57/632727857.db2.gz LRZFWRAAGSOZJQ-IKQBVMFBSA-N 2 0 292.398 2.510 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817905421 632728487 /nfs/dbraw/zinc/72/84/87/632728487.db2.gz MWACCEJJQXDPIA-GDZNZVCISA-N 2 0 272.392 2.589 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817907903 632729315 /nfs/dbraw/zinc/72/93/15/632729315.db2.gz ZCJMCKOWBUXWRC-OAHLLOKOSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817910802 632729634 /nfs/dbraw/zinc/72/96/34/632729634.db2.gz YZKREANEINYORI-KFKAGJAMSA-N 2 0 298.430 2.577 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000817913662 632731046 /nfs/dbraw/zinc/73/10/46/632731046.db2.gz QBEPYOXBDGBIDW-FMKPAKJESA-N 2 0 296.480 2.856 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000817913665 632731261 /nfs/dbraw/zinc/73/12/61/632731261.db2.gz QBEPYOXBDGBIDW-YCPHGPKFSA-N 2 0 296.480 2.856 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000817915524 632732525 /nfs/dbraw/zinc/73/25/25/632732525.db2.gz NRXQUTQMLORAOY-JSGCOSHPSA-N 2 0 281.469 2.894 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000817915523 632732573 /nfs/dbraw/zinc/73/25/73/632732573.db2.gz NRXQUTQMLORAOY-GXTWGEPZSA-N 2 0 281.469 2.894 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922877 632735653 /nfs/dbraw/zinc/73/56/53/632735653.db2.gz NPOGOWRDWAAQLG-FQXVJMBOSA-N 2 0 288.435 2.534 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922876 632735888 /nfs/dbraw/zinc/73/58/88/632735888.db2.gz NPOGOWRDWAAQLG-CCGTUFIJSA-N 2 0 288.435 2.534 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000817923369 632736671 /nfs/dbraw/zinc/73/66/71/632736671.db2.gz XCTISBFFFMVTDH-JYJNAYRXSA-N 2 0 296.842 2.797 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)C1C[NH2+]C1 ZINC000817925431 632737815 /nfs/dbraw/zinc/73/78/15/632737815.db2.gz VSZCFMRBVAHYIT-KUHUBIRLSA-N 2 0 296.414 2.585 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)c1ccccc1 ZINC000817927385 632738578 /nfs/dbraw/zinc/73/85/78/632738578.db2.gz KCAKJPYACUQHKH-XAWIXRBMSA-N 2 0 290.451 2.852 20 0 CFADRP Fc1cnc(Cl)c(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817933590 632740693 /nfs/dbraw/zinc/74/06/93/632740693.db2.gz LETAQKKPEPBLGS-MGPQQGTHSA-N 2 0 297.805 2.884 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1(Cl)Cl ZINC000817936106 632742259 /nfs/dbraw/zinc/74/22/59/632742259.db2.gz GOUQBXKCOVNMBK-GMTAPVOTSA-N 2 0 265.228 2.677 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccnc(Cl)c1 ZINC000817947489 632749321 /nfs/dbraw/zinc/74/93/21/632749321.db2.gz OLTBNAYRDULRLF-GCVQQVDUSA-N 2 0 253.777 2.656 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C[C@@H]1OC ZINC000817948493 632750084 /nfs/dbraw/zinc/75/00/84/632750084.db2.gz KOKIBSWBFYDMGK-SJORKVTESA-N 2 0 290.451 2.871 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccncc1 ZINC000817948962 632750195 /nfs/dbraw/zinc/75/01/95/632750195.db2.gz MWHZXJBJMIWXQS-QGZVFWFLSA-N 2 0 269.392 2.824 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000817949228 632750790 /nfs/dbraw/zinc/75/07/90/632750790.db2.gz PTPGQCPQWVZNPW-QGZVFWFLSA-N 2 0 281.403 2.750 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961286 632760981 /nfs/dbraw/zinc/76/09/81/632760981.db2.gz WJKCVDCDJLQFEL-VBNZEHGJSA-N 2 0 274.408 2.790 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817963943 632763165 /nfs/dbraw/zinc/76/31/65/632763165.db2.gz YZZZEWHQERWELC-DOMZBBRYSA-N 2 0 262.397 2.647 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817968525 632767136 /nfs/dbraw/zinc/76/71/36/632767136.db2.gz KZOWXXXGHJKOQY-JQWIXIFHSA-N 2 0 253.777 2.528 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1C ZINC000817971014 632769710 /nfs/dbraw/zinc/76/97/10/632769710.db2.gz JGDCYHFADCTJAT-DZKIICNBSA-N 2 0 276.424 2.961 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000817972460 632772394 /nfs/dbraw/zinc/77/23/94/632772394.db2.gz XUIODQLRCXCGHD-KCXAZCMYSA-N 2 0 274.408 2.803 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000817978071 632775355 /nfs/dbraw/zinc/77/53/55/632775355.db2.gz VHVPPUBDYDNGBT-DOMZBBRYSA-N 2 0 262.397 2.790 20 0 CFADRP COc1cccc2cc(CN3CC[C@H]([NH3+])C[C@@H]3C)oc21 ZINC000846701560 632777383 /nfs/dbraw/zinc/77/73/83/632777383.db2.gz CJTDJOYTFRFEHC-AAEUAGOBSA-N 2 0 274.364 2.753 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)nc1 ZINC000817982685 632780294 /nfs/dbraw/zinc/78/02/94/632780294.db2.gz VJWRUBJTINQQKN-UMNHJUIQSA-N 2 0 253.777 2.513 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)ccc1OC ZINC000817984761 632781422 /nfs/dbraw/zinc/78/14/22/632781422.db2.gz ZGMUHFZYJFMZNB-CYBMUJFWSA-N 2 0 292.423 2.634 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817985217 632782234 /nfs/dbraw/zinc/78/22/34/632782234.db2.gz HNZLBNGTWCFYPY-NSHDSACASA-N 2 0 265.788 2.695 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)nc1 ZINC000817986788 632782320 /nfs/dbraw/zinc/78/23/20/632782320.db2.gz OHOOWYQBOLUBRN-DOERSZECSA-N 2 0 279.815 2.774 20 0 CFADRP C[C@H]([NH3+])c1ccc(OCCCCCCC[NH3+])cc1 ZINC000818618072 632880866 /nfs/dbraw/zinc/88/08/66/632880866.db2.gz KOAKFKWHGSJRNW-ZDUSSCGKSA-N 2 0 250.386 2.994 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000818953444 632914705 /nfs/dbraw/zinc/91/47/05/632914705.db2.gz MGMHJFXLZDLUGM-SFHVURJKSA-N 2 0 284.403 2.571 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000818967581 632917563 /nfs/dbraw/zinc/91/75/63/632917563.db2.gz WJPZNFUGEHWPSA-SJLPKXTDSA-N 2 0 290.451 2.658 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000818990861 632923909 /nfs/dbraw/zinc/92/39/09/632923909.db2.gz QLIXMUQUVLPQNB-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000819079444 632957594 /nfs/dbraw/zinc/95/75/94/632957594.db2.gz AEVUIKMZGBIIDP-HZPDHXFCSA-N 2 0 296.430 2.815 20 0 CFADRP CC(C)(C[NH2+]C[C@H](O)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000819259799 633043077 /nfs/dbraw/zinc/04/30/77/633043077.db2.gz MESVTXVILRIUIS-INIZCTEOSA-N 2 0 294.414 2.571 20 0 CFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccccc1F ZINC000819332721 633089155 /nfs/dbraw/zinc/08/91/55/633089155.db2.gz BYTIHHYXYMUEGP-QGZVFWFLSA-N 2 0 294.414 2.715 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000819366736 633134207 /nfs/dbraw/zinc/13/42/07/633134207.db2.gz UDODHXYRKBGQNQ-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]Cc1ccccc1C(C)C ZINC000848529065 633278251 /nfs/dbraw/zinc/27/82/51/633278251.db2.gz SGYPLSTWFSUPLQ-UHFFFAOYSA-N 2 0 278.440 2.868 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000848562960 633289653 /nfs/dbraw/zinc/28/96/53/633289653.db2.gz NMAMAZWDYROGQI-AKAXFMLLSA-N 2 0 269.392 2.665 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000848568331 633291992 /nfs/dbraw/zinc/29/19/92/633291992.db2.gz GFQIVOFXGCZWME-ZWKOTPCHSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000848718386 633323463 /nfs/dbraw/zinc/32/34/63/633323463.db2.gz LXBJHWCOVGIKCH-ULQDDVLXSA-N 2 0 287.451 2.823 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000857253555 635957238 /nfs/dbraw/zinc/95/72/38/635957238.db2.gz OZNRWGXTQMEBRW-WISYIIOYSA-N 2 0 277.239 2.548 20 0 CFADRP CC(C)c1ccccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000848887467 633361985 /nfs/dbraw/zinc/36/19/85/633361985.db2.gz XFHYORDVBNVLOS-DOTOQJQBSA-N 2 0 258.409 2.994 20 0 CFADRP CCN(CC)C(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982177 633414717 /nfs/dbraw/zinc/41/47/17/633414717.db2.gz JOGNVPMOTVXSBN-UHFFFAOYSA-N 2 0 268.449 2.507 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NC2CCCC2)C1 ZINC000848997869 633453088 /nfs/dbraw/zinc/45/30/88/633453088.db2.gz PNXSOIPNKKNFOU-ZIAGYGMSSA-N 2 0 294.487 2.799 20 0 CFADRP C[NH+]1CCC(C)(CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000849016545 633462537 /nfs/dbraw/zinc/46/25/37/633462537.db2.gz PNKMSQCGFVBPDH-UHFFFAOYSA-N 2 0 280.460 2.555 20 0 CFADRP C[C@H]1CCCN(C(=[NH2+])NCCCCC[NH+]2CCCC2)C1 ZINC000849033167 633471934 /nfs/dbraw/zinc/47/19/34/633471934.db2.gz DMGKDORDBFWWRJ-HNNXBMFYSA-N 2 0 280.460 2.509 20 0 CFADRP Cc1ccc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000849041618 633476634 /nfs/dbraw/zinc/47/66/34/633476634.db2.gz SUZKZXOYOXWPNC-OAHLLOKOSA-N 2 0 288.439 2.972 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+](CC)C1CCCCC1 ZINC000849047243 633479467 /nfs/dbraw/zinc/47/94/67/633479467.db2.gz RQGJZAQCLQZHQN-CQSZACIVSA-N 2 0 282.476 2.944 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccc12 ZINC000849349553 633625712 /nfs/dbraw/zinc/62/57/12/633625712.db2.gz CYBZSARIIUVYFK-KRWDZBQOSA-N 2 0 298.434 2.775 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000849350326 633626063 /nfs/dbraw/zinc/62/60/63/633626063.db2.gz XUEGBTDKQCVVKI-QWRGUYRKSA-N 2 0 264.335 2.969 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1(C)C ZINC000858090666 636122567 /nfs/dbraw/zinc/12/25/67/636122567.db2.gz JNEWOWBXQMXABG-CABCVRRESA-N 2 0 296.842 2.836 20 0 CFADRP FC(F)(F)SCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925486533 633794575 /nfs/dbraw/zinc/79/45/75/633794575.db2.gz RMCSAUDIVIKRCK-NEPJUHHUSA-N 2 0 296.402 2.997 20 0 CFADRP Cc1nc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)[nH]c1C ZINC000850178492 633874338 /nfs/dbraw/zinc/87/43/38/633874338.db2.gz AYVKCXMLYWCYLO-UHFFFAOYSA-N 2 0 290.455 2.913 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850266663 633918990 /nfs/dbraw/zinc/91/89/90/633918990.db2.gz HBYSPTRUEXIYHR-QWHCGFSZSA-N 2 0 256.353 2.546 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000850419031 633984525 /nfs/dbraw/zinc/98/45/25/633984525.db2.gz ADKHTDKEXXUVAC-UHFFFAOYSA-N 2 0 273.424 2.602 20 0 CFADRP C([NH2+][C@H]1CCC12CCOCC2)C1CC[NH+](CC2CC2)CC1 ZINC000850581254 634060765 /nfs/dbraw/zinc/06/07/65/634060765.db2.gz DYSGFRYTXOYDAI-KRWDZBQOSA-N 2 0 292.467 2.657 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1SCCS1 ZINC000853022518 634879531 /nfs/dbraw/zinc/87/95/31/634879531.db2.gz AJAPHKOMZHHSGG-CHWSQXEVSA-N 2 0 286.510 2.647 20 0 CFADRP Cc1cc(CNCC23CC(C2)C[NH2+]3)cc(C)c1OC(F)F ZINC000853247451 634950660 /nfs/dbraw/zinc/95/06/60/634950660.db2.gz PUEIZTBWQPDJFL-UHFFFAOYSA-N 2 0 296.361 2.746 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221624 635261094 /nfs/dbraw/zinc/26/10/94/635261094.db2.gz QPWYPAHFLSGODL-KDOFPFPSSA-N 2 0 286.419 2.980 20 0 CFADRP C1=C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000854221511 635261211 /nfs/dbraw/zinc/26/12/11/635261211.db2.gz OBWKYFSPHSGAQJ-JLJPHGGASA-N 2 0 270.376 2.551 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCOc1cccnc1)c1ccccc1 ZINC000925488533 635410867 /nfs/dbraw/zinc/41/08/67/635410867.db2.gz KJSIIVUTHIXTMC-QGZVFWFLSA-N 2 0 285.391 2.530 20 0 CFADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C(C)C)C2)ccn1 ZINC000856597657 635834433 /nfs/dbraw/zinc/83/44/33/635834433.db2.gz AWMVYWJRWCLAJX-KRWDZBQOSA-N 2 0 291.439 2.783 20 0 CFADRP Clc1ccc2c(n1)[C@H]([NH2+][C@H]1CCn3ccnc3C1)CC2 ZINC000857910277 636061331 /nfs/dbraw/zinc/06/13/31/636061331.db2.gz GMEZVWMMMZKFGV-NWDGAFQWSA-N 2 0 288.782 2.523 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCSC(F)(F)F)CC1(C)C ZINC000858102345 636125839 /nfs/dbraw/zinc/12/58/39/636125839.db2.gz WCCFVORCBICCNO-SECBINFHSA-N 2 0 270.364 2.702 20 0 CFADRP CC(C)[C@@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCCCC1 ZINC000858337981 636198449 /nfs/dbraw/zinc/19/84/49/636198449.db2.gz RIQBAZNKZDPSKE-QGZVFWFLSA-N 2 0 291.439 2.886 20 0 CFADRP Cc1ccccc1[C@@H]([C@H](C)Nc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858546117 636287764 /nfs/dbraw/zinc/28/77/64/636287764.db2.gz ZRFHWTJKFRUFKD-KBXCAEBGSA-N 2 0 299.418 2.986 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000047978111 650251709 /nfs/dbraw/zinc/25/17/09/650251709.db2.gz MAPGLKBGKRNQNM-SFHVURJKSA-N 2 0 290.451 2.774 20 0 CFADRP COCC1(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCC1 ZINC000859212933 636506956 /nfs/dbraw/zinc/50/69/56/636506956.db2.gz PEOROWPZEXVXSG-UHFFFAOYSA-N 2 0 290.451 2.997 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000187865938 650302256 /nfs/dbraw/zinc/30/22/56/650302256.db2.gz GNIRMKDUQODYJI-UHFFFAOYSA-N 2 0 297.786 2.680 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000862271399 637305904 /nfs/dbraw/zinc/30/59/04/637305904.db2.gz NKHCZOJKTXEMRR-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000863482758 637674739 /nfs/dbraw/zinc/67/47/39/637674739.db2.gz KWQWUTPEKYGBBS-HTAVTVPLSA-N 2 0 276.346 2.982 20 0 CFADRP C[C@@H]([NH3+])C[N@H+](C)CCCCCOc1ccccc1 ZINC000863651367 637724259 /nfs/dbraw/zinc/72/42/59/637724259.db2.gz HABBAQYZZWMHIU-CQSZACIVSA-N 2 0 250.386 2.515 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000863690137 637746604 /nfs/dbraw/zinc/74/66/04/637746604.db2.gz LIJQOWLOHULEMB-AWEZNQCLSA-N 2 0 296.418 2.638 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000863692328 637748324 /nfs/dbraw/zinc/74/83/24/637748324.db2.gz VRTWFRFCDOXHMK-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000925493682 638306085 /nfs/dbraw/zinc/30/60/85/638306085.db2.gz LOXCSDPZAVVXMU-UKRRQHHQSA-N 2 0 293.480 2.615 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865449677 638342517 /nfs/dbraw/zinc/34/25/17/638342517.db2.gz DHIFVLKJOYQFMT-UHFFFAOYSA-N 2 0 287.382 2.805 20 0 CFADRP CCc1nocc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716997 638532469 /nfs/dbraw/zinc/53/24/69/638532469.db2.gz KNVWDLSPVDLOCV-UHFFFAOYSA-N 2 0 279.428 2.837 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCSC2)CC1 ZINC000865717223 638532766 /nfs/dbraw/zinc/53/27/66/638532766.db2.gz SMPVRZJERMRZPM-HNNXBMFYSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000865717096 638533019 /nfs/dbraw/zinc/53/30/19/638533019.db2.gz OGGFYPKGXUFLHR-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000865764901 638562537 /nfs/dbraw/zinc/56/25/37/638562537.db2.gz QRJFSMKZPVQWNV-ISXOHVOVSA-N 3 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000865775315 638565932 /nfs/dbraw/zinc/56/59/32/638565932.db2.gz UMJVUSHAAZRUHA-MELADBBJSA-N 2 0 296.455 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC23CCOCC3)CC1(C)C ZINC000865776682 638567283 /nfs/dbraw/zinc/56/72/83/638567283.db2.gz GNUAVDWJRBVXKJ-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866238344 638777366 /nfs/dbraw/zinc/77/73/66/638777366.db2.gz PGFPQTJNSALJCC-OIISXLGYSA-N 2 0 273.424 2.619 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467938 638826299 /nfs/dbraw/zinc/82/62/99/638826299.db2.gz VALFNLDJOAOXSH-FUHWJXTLSA-N 3 0 295.515 2.817 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518368 638834442 /nfs/dbraw/zinc/83/44/42/638834442.db2.gz YGUVYUSVLJUFAY-GULBITTBSA-N 2 0 290.455 2.650 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC12CCOCC2 ZINC000866528212 638835616 /nfs/dbraw/zinc/83/56/16/638835616.db2.gz WNGMLRIAEIJCBI-INIZCTEOSA-N 2 0 292.467 2.657 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000866585436 638848885 /nfs/dbraw/zinc/84/88/85/638848885.db2.gz YBAGIZJMVBLCSV-PVAVHDDUSA-N 2 0 256.393 2.700 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc1Cl ZINC000866660013 638861907 /nfs/dbraw/zinc/86/19/07/638861907.db2.gz CZZIJOLMQPAULM-UHFFFAOYSA-N 2 0 279.815 2.619 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nc1Cl ZINC000866665227 638862854 /nfs/dbraw/zinc/86/28/54/638862854.db2.gz FNJLHVOENGXGMF-AWEZNQCLSA-N 2 0 293.842 2.865 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000866697749 638866912 /nfs/dbraw/zinc/86/69/12/638866912.db2.gz XVJJIZJVOSFDQB-NVXWUHKLSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697722 638866938 /nfs/dbraw/zinc/86/69/38/638866938.db2.gz WQRYTXMRHTUENU-INIZCTEOSA-N 2 0 268.445 2.929 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1CC[C@H]1CCC[NH2+]C1 ZINC000866701946 638867550 /nfs/dbraw/zinc/86/75/50/638867550.db2.gz SNHALFIZIPQNTJ-CZUORRHYSA-N 2 0 273.424 2.675 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000866701719 638867737 /nfs/dbraw/zinc/86/77/37/638867737.db2.gz NEAUOPSQHUPDHU-INIZCTEOSA-N 2 0 280.387 2.798 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705675 638868007 /nfs/dbraw/zinc/86/80/07/638868007.db2.gz GYTRWJFAZJWZIA-INIZCTEOSA-N 2 0 279.428 2.742 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707377 638868946 /nfs/dbraw/zinc/86/89/46/638868946.db2.gz NELOJKLQIKQFBY-CZUORRHYSA-N 2 0 261.413 2.840 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000866708675 638869310 /nfs/dbraw/zinc/86/93/10/638869310.db2.gz SSBWQPHNVWIWFC-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1cncc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000866719674 638870208 /nfs/dbraw/zinc/87/02/08/638870208.db2.gz BFSRWPDDFVTROW-QGZVFWFLSA-N 2 0 273.424 2.917 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000121993841 638918811 /nfs/dbraw/zinc/91/88/11/638918811.db2.gz AHTXAFUAPKPZSK-DZGCQCFKSA-N 2 0 264.388 2.688 20 0 CFADRP CC[C@H](CC1CCCCC1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000872017748 641548189 /nfs/dbraw/zinc/54/81/89/641548189.db2.gz FQVROKHAITYKPA-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1nccn1CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872025491 641556674 /nfs/dbraw/zinc/55/66/74/641556674.db2.gz NROFQEAOUFPZJL-OAHLLOKOSA-N 2 0 277.412 2.663 20 0 CFADRP CC[C@@H](CC1CCCCC1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000872033113 641563036 /nfs/dbraw/zinc/56/30/36/641563036.db2.gz FEZYOCSXYNYPKL-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)[C@H]2CCCOC2)CC1 ZINC000872034683 641566200 /nfs/dbraw/zinc/56/62/00/641566200.db2.gz QOXMYCWBONNPRA-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCOC1 ZINC000872069700 641601037 /nfs/dbraw/zinc/60/10/37/641601037.db2.gz SQUBHTDPOAIMFV-ZGRYLRDCSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000872079965 641613152 /nfs/dbraw/zinc/61/31/52/641613152.db2.gz QYZQSKFSDSNMPA-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000872115286 641645636 /nfs/dbraw/zinc/64/56/36/641645636.db2.gz ASZPRZVOBKLQKB-LSDHHAIUSA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H](O)c2ccccc2)CC1 ZINC000872134465 641662102 /nfs/dbraw/zinc/66/21/02/641662102.db2.gz BZHCZWVXKDGHFI-QZTJIDSGSA-N 2 0 290.451 2.963 20 0 CFADRP c1ccc(NC2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000872134928 641663570 /nfs/dbraw/zinc/66/35/70/641663570.db2.gz ZZWJIXGXOJZDID-AQEOSJORSA-N 2 0 285.435 2.846 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000872136542 641665078 /nfs/dbraw/zinc/66/50/78/641665078.db2.gz LZBJRKKUHISKFM-ROUUACIJSA-N 2 0 290.451 2.961 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872145800 641672727 /nfs/dbraw/zinc/67/27/27/641672727.db2.gz ZDVDTEVGJZATHE-PBHICJAKSA-N 2 0 280.456 2.643 20 0 CFADRP c1ccc2c(c1)CC[C@]21CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000872146353 641673350 /nfs/dbraw/zinc/67/33/50/641673350.db2.gz LZIOQZDFYCOXJV-MAUKXSAKSA-N 2 0 270.420 2.576 20 0 CFADRP Cc1nc2ccccn2c1C[N@H+](C)CCCCCC[NH3+] ZINC000872155056 641675679 /nfs/dbraw/zinc/67/56/79/641675679.db2.gz AWJNXCOUDCTNEQ-UHFFFAOYSA-N 2 0 274.412 2.594 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872154776 641675699 /nfs/dbraw/zinc/67/56/99/641675699.db2.gz YNJSYNVAMVNJMK-VXGBXAGGSA-N 2 0 282.350 2.547 20 0 CFADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCCCC[NH3+] ZINC000872155789 641676816 /nfs/dbraw/zinc/67/68/16/641676816.db2.gz ZKRUUGKMPSEFMA-OAGGEKHMSA-N 2 0 297.487 2.521 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCn2cccn2)C1)C1CCCC1 ZINC000872157296 641677421 /nfs/dbraw/zinc/67/74/21/641677421.db2.gz OIPSJVDXNFQMKX-NVXWUHKLSA-N 2 0 290.455 2.503 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCn2cccn2)C1)C1CCCC1 ZINC000872157299 641677814 /nfs/dbraw/zinc/67/78/14/641677814.db2.gz OIPSJVDXNFQMKX-WBVHZDCISA-N 2 0 290.455 2.503 20 0 CFADRP COCCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158940 641679739 /nfs/dbraw/zinc/67/97/39/641679739.db2.gz ZMGGNZLEYURADH-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000872222690 641707322 /nfs/dbraw/zinc/70/73/22/641707322.db2.gz ALKPTNBKEWQIPR-GOSISDBHSA-N 2 0 290.451 2.820 20 0 CFADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1C1CC1)c1ccco1 ZINC000872391433 641788288 /nfs/dbraw/zinc/78/82/88/641788288.db2.gz YRHHPFJZQJNBSI-OAHLLOKOSA-N 2 0 271.364 2.689 20 0 CFADRP c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(C2CC2)c[nH+]1 ZINC000872440873 641812175 /nfs/dbraw/zinc/81/21/75/641812175.db2.gz ALPUYRUNOBZIOC-CQSZACIVSA-N 2 0 257.381 2.634 20 0 CFADRP CC(C)[NH2+]C1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872441794 641813080 /nfs/dbraw/zinc/81/30/80/641813080.db2.gz VLBHFKCKRCCRNR-UHFFFAOYSA-N 2 0 259.397 2.926 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872468290 641821699 /nfs/dbraw/zinc/82/16/99/641821699.db2.gz BSYWPTRRGDXFBX-CYBMUJFWSA-N 2 0 259.397 2.737 20 0 CFADRP C[N@H+]1Cc2ccccc2[C@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000872493158 641831689 /nfs/dbraw/zinc/83/16/89/641831689.db2.gz PNDTUGJCCVMXPZ-GOSISDBHSA-N 2 0 279.387 2.980 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872521882 641843394 /nfs/dbraw/zinc/84/33/94/641843394.db2.gz ZQMGOAOJHLUWQG-CQSZACIVSA-N 2 0 259.397 2.880 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2ncccc12 ZINC000873006750 641983557 /nfs/dbraw/zinc/98/35/57/641983557.db2.gz QGXCQRRWGHHBBX-UHFFFAOYSA-N 2 0 271.408 2.912 20 0 CFADRP c1c(C[N@@H+]2CC[C@H](c3ccccn3)C2)sc2c1C[NH2+]CC2 ZINC000873209754 642069024 /nfs/dbraw/zinc/06/90/24/642069024.db2.gz PYBPCVRHVOWAHM-ZDUSSCGKSA-N 2 0 299.443 2.778 20 0 CFADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cccc(O)c1 ZINC000873211628 642069258 /nfs/dbraw/zinc/06/92/58/642069258.db2.gz QRXXTFCCXOIUEC-LLVKDONJSA-N 2 0 288.416 2.950 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873220782 642074309 /nfs/dbraw/zinc/07/43/09/642074309.db2.gz SZMPQGXCXAUPCL-CABCVRRESA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000873221336 642074358 /nfs/dbraw/zinc/07/43/58/642074358.db2.gz QMSPOQBWHCFAOK-CYBMUJFWSA-N 2 0 285.391 2.819 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2cnccc21)C1CC[NH2+]CC1 ZINC000873222256 642075216 /nfs/dbraw/zinc/07/52/16/642075216.db2.gz ITOGAGYDPPFFJI-ZDUSSCGKSA-N 2 0 269.392 2.713 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000873222025 642075230 /nfs/dbraw/zinc/07/52/30/642075230.db2.gz XDYIICGKNAMIKB-YPMHNXCESA-N 2 0 294.489 2.579 20 0 CFADRP C[C@H]([NH2+]Cc1c[nH]nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000873222387 642075259 /nfs/dbraw/zinc/07/52/59/642075259.db2.gz QBPWBZQDLQJWGJ-NSHDSACASA-N 2 0 290.436 2.616 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)s1 ZINC000873222273 642075542 /nfs/dbraw/zinc/07/55/42/642075542.db2.gz JUDCQBXQUIWEEM-LBPRGKRZSA-N 2 0 281.469 2.819 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1O ZINC000873223678 642076505 /nfs/dbraw/zinc/07/65/05/642076505.db2.gz QXMGTIITIIJPNV-KRWDZBQOSA-N 2 0 292.423 2.598 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873222564 642077136 /nfs/dbraw/zinc/07/71/36/642077136.db2.gz ZTIMRUMPTNBOCO-DZGCQCFKSA-N 2 0 274.408 2.530 20 0 CFADRP COCCC1([NH2+]Cc2coc3ccccc23)CC[NH2+]CC1 ZINC000873224380 642077688 /nfs/dbraw/zinc/07/76/88/642077688.db2.gz DNGPBCFBTDJCDQ-UHFFFAOYSA-N 2 0 288.391 2.681 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000873224184 642077707 /nfs/dbraw/zinc/07/77/07/642077707.db2.gz XERZXUWFSLDPMD-SFHVURJKSA-N 2 0 288.435 2.818 20 0 CFADRP COCCC1([NH2+]C[C@@H](C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000873224464 642078172 /nfs/dbraw/zinc/07/81/72/642078172.db2.gz CCSQKXNFIFMORI-CQSZACIVSA-N 2 0 294.414 2.678 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873224029 642078195 /nfs/dbraw/zinc/07/81/95/642078195.db2.gz WSIGJEGDOBBHFW-MRXNPFEDSA-N 2 0 280.412 2.623 20 0 CFADRP COCCC1([NH2+]Cc2cc(C)c(C)cc2C)CC[NH2+]CC1 ZINC000873223827 642078458 /nfs/dbraw/zinc/07/84/58/642078458.db2.gz TZGSQDYDCBTNAN-UHFFFAOYSA-N 2 0 290.451 2.860 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000873227509 642079560 /nfs/dbraw/zinc/07/95/60/642079560.db2.gz KTMYOXJZCQDBAJ-SJORKVTESA-N 3 0 293.499 2.715 20 0 CFADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232267 642085576 /nfs/dbraw/zinc/08/55/76/642085576.db2.gz NWTCDUOJBHAQMJ-RHSMWYFYSA-N 2 0 290.455 2.838 20 0 CFADRP c1ccc(OCCCC[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873231999 642085894 /nfs/dbraw/zinc/08/58/94/642085894.db2.gz SLVOQODOWARXCS-SJORKVTESA-N 2 0 274.408 2.720 20 0 CFADRP Cc1ncsc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873233049 642086440 /nfs/dbraw/zinc/08/64/40/642086440.db2.gz XRLJGEAPAZOBLH-AWEZNQCLSA-N 2 0 279.453 2.854 20 0 CFADRP c1[nH]nc2cc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)ccc12 ZINC000873232565 642087277 /nfs/dbraw/zinc/08/72/77/642087277.db2.gz GTRZBZKXZJAHRA-KRWDZBQOSA-N 2 0 298.434 2.965 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000873235287 642088354 /nfs/dbraw/zinc/08/83/54/642088354.db2.gz KQTAEKHPSCSNBP-NVXWUHKLSA-N 2 0 258.409 2.857 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000873243564 642092044 /nfs/dbraw/zinc/09/20/44/642092044.db2.gz YJLIPYNPJNHOFA-DOTOQJQBSA-N 3 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000873246485 642093049 /nfs/dbraw/zinc/09/30/49/642093049.db2.gz ZULKPHWOIJDCPV-HOTGVXAUSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nccc2ccccc21 ZINC000873249634 642095493 /nfs/dbraw/zinc/09/54/93/642095493.db2.gz MDAQYJQTKICXNG-BZPMIXESSA-N 2 0 255.365 2.623 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000873249632 642095939 /nfs/dbraw/zinc/09/59/39/642095939.db2.gz BTDQQPVEQBCPDV-VUCTXSBTSA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000873250965 642096855 /nfs/dbraw/zinc/09/68/55/642096855.db2.gz JXQIVFCKZQJDJQ-MSQAHXEGSA-N 2 0 262.372 2.789 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000873251695 642097774 /nfs/dbraw/zinc/09/77/74/642097774.db2.gz NNAUQWZEMBBJJA-ISTRZQFTSA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251920 642097979 /nfs/dbraw/zinc/09/79/79/642097979.db2.gz MHVLZUMNRKONMN-MNOVXSKESA-N 2 0 284.391 2.922 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873253116 642098502 /nfs/dbraw/zinc/09/85/02/642098502.db2.gz UAPAPIZUHAXVLY-USZNOCQGSA-N 2 0 262.319 2.601 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000873253201 642098731 /nfs/dbraw/zinc/09/87/31/642098731.db2.gz UZIUXOOORVFSPG-GRYCIOLGSA-N 2 0 296.402 2.650 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252648 642098784 /nfs/dbraw/zinc/09/87/84/642098784.db2.gz URWCAGIWTCRYKM-IXDOHACOSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252724 642099052 /nfs/dbraw/zinc/09/90/52/642099052.db2.gz QRHOIJRBFRLKEO-UBDQQSCGSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873254510 642100124 /nfs/dbraw/zinc/10/01/24/642100124.db2.gz VPMJGWJMSBWPKS-PXWWUCIGSA-N 2 0 254.324 2.743 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000873255985 642101467 /nfs/dbraw/zinc/10/14/67/642101467.db2.gz KPEMMAFTPCNHSH-SRCQZFHVSA-N 2 0 286.419 2.716 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873255635 642101668 /nfs/dbraw/zinc/10/16/68/642101668.db2.gz IQJYXZAPUMPGDO-BNOWGMLFSA-N 2 0 298.377 2.936 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)ccc1SC ZINC000873255725 642101735 /nfs/dbraw/zinc/10/17/35/642101735.db2.gz IXXUGBSBRBEZAN-NQBHXWOUSA-N 2 0 280.437 2.805 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256128 642101927 /nfs/dbraw/zinc/10/19/27/642101927.db2.gz LXXRDCBESLGJCV-HJWJTTGWSA-N 2 0 258.409 2.958 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000873257173 642102388 /nfs/dbraw/zinc/10/23/88/642102388.db2.gz FAMIBGTVGRUQDJ-NHCYSSNCSA-N 2 0 270.323 2.676 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256894 642102423 /nfs/dbraw/zinc/10/24/23/642102423.db2.gz PMYBPFWWRMFWLB-JKOKRWQUSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873257085 642102707 /nfs/dbraw/zinc/10/27/07/642102707.db2.gz QSAFRTYLSLCIBR-NQMVMOMDSA-N 2 0 288.222 2.964 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873257192 642102790 /nfs/dbraw/zinc/10/27/90/642102790.db2.gz FMDGMMOOGZGJCV-UMVBOHGHSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873257086 642102832 /nfs/dbraw/zinc/10/28/32/642102832.db2.gz QSAFRTYLSLCIBR-NRPADANISA-N 2 0 288.222 2.964 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000873258884 642103330 /nfs/dbraw/zinc/10/33/30/642103330.db2.gz WYOLTFIJQFWLEN-NUTKFTJISA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000873258498 642103472 /nfs/dbraw/zinc/10/34/72/642103472.db2.gz SBNOSCAWFPXASP-LUKYLMHMSA-N 2 0 258.409 2.725 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873258541 642103551 /nfs/dbraw/zinc/10/35/51/642103551.db2.gz RPZFPUSJJZNIQV-XQLPTFJDSA-N 2 0 274.408 2.876 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc(C)c1F ZINC000873258237 642103565 /nfs/dbraw/zinc/10/35/65/642103565.db2.gz YPELQGFGGOMFRA-OBJOEFQTSA-N 2 0 250.361 2.830 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000873258811 642103591 /nfs/dbraw/zinc/10/35/91/642103591.db2.gz VIFOXDZGBCRGMY-NKGKWGDASA-N 2 0 270.420 2.664 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000873259194 642104509 /nfs/dbraw/zinc/10/45/09/642104509.db2.gz ZJBMZYUEGNELGN-FVCCEPFGSA-N 2 0 250.411 2.929 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnc(Cl)c1 ZINC000873259508 642104515 /nfs/dbraw/zinc/10/45/15/642104515.db2.gz GCMVZXBJTKFKTG-MHDGFBEUSA-N 2 0 279.815 2.916 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873259890 642104542 /nfs/dbraw/zinc/10/45/42/642104542.db2.gz ODWXOOLWIHAMHL-HVDRQEDPSA-N 2 0 274.383 2.933 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873260025 642104612 /nfs/dbraw/zinc/10/46/12/642104612.db2.gz QVQSCPVEYRNBGB-CRWXNKLISA-N 2 0 291.464 2.949 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259495 642104622 /nfs/dbraw/zinc/10/46/22/642104622.db2.gz FYEFVINFSRZXAX-UGQVUOCMSA-N 2 0 274.408 2.876 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260492 642105176 /nfs/dbraw/zinc/10/51/76/642105176.db2.gz BQVQYVAJXVVKQS-YTQIUSBHSA-N 2 0 250.430 2.931 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1OC ZINC000873262670 642106639 /nfs/dbraw/zinc/10/66/39/642106639.db2.gz BCVRZVWMOIQPQQ-YIDVYQOGSA-N 2 0 280.456 2.700 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CC2 ZINC000873265628 642109456 /nfs/dbraw/zinc/10/94/56/642109456.db2.gz PGHKXDOIGHKTMR-PXAZEXFGSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268005 642111124 /nfs/dbraw/zinc/11/11/24/642111124.db2.gz OGQVCUUPRQZSGR-VXGBXAGGSA-N 2 0 258.475 2.884 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269690 642111933 /nfs/dbraw/zinc/11/19/33/642111933.db2.gz SDENEJCKKGGERJ-CKEIUWERSA-N 2 0 276.424 2.740 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CC2 ZINC000873270170 642112000 /nfs/dbraw/zinc/11/20/00/642112000.db2.gz PGHKXDOIGHKTMR-YVEFUNNKSA-N 2 0 274.408 2.660 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000873269396 642112045 /nfs/dbraw/zinc/11/20/45/642112045.db2.gz PQUVWZQPNOPBAA-BDJLRTHQSA-N 2 0 298.377 2.630 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC[NH2+]CC1 ZINC000873269882 642112051 /nfs/dbraw/zinc/11/20/51/642112051.db2.gz LSRZRHIBHZCRLV-ZBEGNZNMSA-N 2 0 262.372 2.791 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000873271743 642112585 /nfs/dbraw/zinc/11/25/85/642112585.db2.gz KHAKVGWIPJTAGL-VHSXEESVSA-N 2 0 267.442 2.799 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1F ZINC000873270790 642112998 /nfs/dbraw/zinc/11/29/98/642112998.db2.gz AADUJJOOAMAKNT-RYUDHWBXSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000873271652 642113018 /nfs/dbraw/zinc/11/30/18/642113018.db2.gz IYMVVPZREICPKP-WDEREUQCSA-N 2 0 267.804 2.774 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272005 642113646 /nfs/dbraw/zinc/11/36/46/642113646.db2.gz NMANNEYZAIMAEZ-XHDPSFHLSA-N 2 0 292.398 2.799 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc2cnccc2o1 ZINC000873276662 642114886 /nfs/dbraw/zinc/11/48/86/642114886.db2.gz VTLHRGQRYDSAJM-PWNZVWSESA-N 2 0 285.391 2.867 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc2cnccc2o1 ZINC000873274919 642115220 /nfs/dbraw/zinc/11/52/20/642115220.db2.gz HSTPENVHTASNJV-CYZMBNFOSA-N 2 0 259.353 2.748 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc2cnccc2o1 ZINC000873274921 642115260 /nfs/dbraw/zinc/11/52/60/642115260.db2.gz HSTPENVHTASNJV-UHTWSYAYSA-N 2 0 259.353 2.748 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873281229 642117090 /nfs/dbraw/zinc/11/70/90/642117090.db2.gz HIUWAWMORXBLLW-NRKLIOEPSA-N 2 0 280.456 2.844 20 0 CFADRP C([NH2+]C1CCCCCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289557 642122452 /nfs/dbraw/zinc/12/24/52/642122452.db2.gz JMGPPIHQIQACBL-INIZCTEOSA-N 2 0 280.456 2.848 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290772 642122928 /nfs/dbraw/zinc/12/29/28/642122928.db2.gz RTJZUUCKFABDLS-MLGOLLRUSA-N 2 0 279.403 2.808 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290939 642123211 /nfs/dbraw/zinc/12/32/11/642123211.db2.gz CKICQEZVPOZIPK-IKGGRYGDSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290773 642123247 /nfs/dbraw/zinc/12/32/47/642123247.db2.gz RTJZUUCKFABDLS-WBMJQRKESA-N 2 0 279.403 2.808 20 0 CFADRP CC1(C)CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290371 642123278 /nfs/dbraw/zinc/12/32/78/642123278.db2.gz CYJFYMRGMODUHI-LSDHHAIUSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291465 642123734 /nfs/dbraw/zinc/12/37/34/642123734.db2.gz HBEQXIQXEORGSX-UGUYLWEFSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873291225 642123953 /nfs/dbraw/zinc/12/39/53/642123953.db2.gz VWHNELHINWKGSX-DOTOQJQBSA-N 2 0 288.435 2.804 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291159 642124058 /nfs/dbraw/zinc/12/40/58/642124058.db2.gz UVIFXEHAAFQHDK-WBVHZDCISA-N 2 0 288.435 2.804 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292143 642124202 /nfs/dbraw/zinc/12/42/02/642124202.db2.gz OMLONQDOZJNNCY-GOEBONIOSA-N 2 0 280.456 2.704 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)o1 ZINC000873293106 642124987 /nfs/dbraw/zinc/12/49/87/642124987.db2.gz XYVUFRDVUBELCG-UKRRQHHQSA-N 2 0 292.423 2.651 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293047 642125083 /nfs/dbraw/zinc/12/50/83/642125083.db2.gz XJIFEDCMGPKQRR-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294687 642125985 /nfs/dbraw/zinc/12/59/85/642125985.db2.gz XZBDVXMXNXELBT-QLFBSQMISA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296419 642127342 /nfs/dbraw/zinc/12/73/42/642127342.db2.gz ZNRCFNVIMHGMDL-LYAPFXNSSA-N 2 0 273.424 2.607 20 0 CFADRP Cc1cccc(N2CC[NH+](CCCCCC[NH3+])CC2)c1 ZINC000020073028 642294309 /nfs/dbraw/zinc/29/43/09/642294309.db2.gz ZCRMPXRJMATDGB-UHFFFAOYSA-N 2 0 275.440 2.636 20 0 CFADRP CC(C)[C@H](CNC1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000020200586 642321379 /nfs/dbraw/zinc/32/13/79/642321379.db2.gz CSQLMOPWNGZTIX-KRWDZBQOSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000020593552 642462702 /nfs/dbraw/zinc/46/27/02/642462702.db2.gz PTBUXSQDXXWUQM-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000876947099 643074811 /nfs/dbraw/zinc/07/48/11/643074811.db2.gz VFZKKVSWLSIUOS-NSHDSACASA-N 2 0 277.239 2.644 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877019093 643106591 /nfs/dbraw/zinc/10/65/91/643106591.db2.gz GJQGJHBNWMNCPI-LNLFQRSKSA-N 2 0 299.462 2.648 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cccs2)[C@@H](C)C1 ZINC000245419823 650815002 /nfs/dbraw/zinc/81/50/02/650815002.db2.gz HDJVHJVAMBEUOA-ZFWWWQNUSA-N 2 0 266.454 2.953 20 0 CFADRP CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1 ZINC000877055984 643124073 /nfs/dbraw/zinc/12/40/73/643124073.db2.gz UJCLOHSMLUTTPC-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+][C@H](CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000877136476 643171897 /nfs/dbraw/zinc/17/18/97/643171897.db2.gz GAPQIGJKWAVROQ-GVDBMIGSSA-N 2 0 295.386 2.530 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000877138958 643172968 /nfs/dbraw/zinc/17/29/68/643172968.db2.gz TUULOELHVNKMCX-INIZCTEOSA-N 2 0 288.435 2.833 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000089146415 650828408 /nfs/dbraw/zinc/82/84/08/650828408.db2.gz BRMHMZPKCQHNFK-QMTHXVAHSA-N 2 0 254.324 2.572 20 0 CFADRP CSC(C)(C)CC[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000877538737 643341057 /nfs/dbraw/zinc/34/10/57/643341057.db2.gz CZJGNBKGNLZDRW-UHFFFAOYSA-N 2 0 290.542 2.935 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000877582834 643379067 /nfs/dbraw/zinc/37/90/67/643379067.db2.gz AKGQOECMUASRSY-SNVBAGLBSA-N 2 0 270.163 2.618 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nc(Cl)cs2)C1 ZINC000877584917 643380581 /nfs/dbraw/zinc/38/05/81/643380581.db2.gz LAFOERIPNUYAJL-SNVBAGLBSA-N 2 0 273.833 2.618 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877596154 643387293 /nfs/dbraw/zinc/38/72/93/643387293.db2.gz NSHPNUJHVNADRY-KPPDAEKUSA-N 2 0 265.228 2.643 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000877616391 643402524 /nfs/dbraw/zinc/40/25/24/643402524.db2.gz CCDDDYNJUQBHGP-RYQLBKOJSA-N 2 0 290.451 2.912 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000877617722 643403511 /nfs/dbraw/zinc/40/35/11/643403511.db2.gz SYECFEKVHZBOSY-PXWIGAEESA-N 2 0 290.388 2.639 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2(C)CCCC2)CCO1 ZINC000877642054 643426495 /nfs/dbraw/zinc/42/64/95/643426495.db2.gz FHLCJAKDEXHYQX-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000877644652 643428021 /nfs/dbraw/zinc/42/80/21/643428021.db2.gz YVDPOOLYZSHDJD-OLZOCXBDSA-N 2 0 291.266 2.892 20 0 CFADRP CC(C)C(C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000877671190 643444664 /nfs/dbraw/zinc/44/46/64/643444664.db2.gz RSIVEXIBWZWUMG-IAGOWNOFSA-N 3 0 297.531 2.586 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684328 643453656 /nfs/dbraw/zinc/45/36/56/643453656.db2.gz MGZYYPGAXFCSGB-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684155 643453723 /nfs/dbraw/zinc/45/37/23/643453723.db2.gz JASMWEXPJRRSFY-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]CCC[C@H]2CCO2)CC1 ZINC000877697018 643459041 /nfs/dbraw/zinc/45/90/41/643459041.db2.gz FNQUHOYNWSRBHX-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cnc(F)c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000877711257 643476873 /nfs/dbraw/zinc/47/68/73/643476873.db2.gz AXRWYNYZVSXFHS-UHFFFAOYSA-N 2 0 295.402 2.582 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718485 643482540 /nfs/dbraw/zinc/48/25/40/643482540.db2.gz KEMHEGJGUVHUSG-HZPDHXFCSA-N 2 0 272.436 2.896 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877738681 643502421 /nfs/dbraw/zinc/50/24/21/643502421.db2.gz CKHVIHBSJJLJAW-SJORKVTESA-N 2 0 258.409 2.564 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccc(F)cc1 ZINC000877738771 643502642 /nfs/dbraw/zinc/50/26/42/643502642.db2.gz CYYRLWRFMSGVFS-UKPHBRMFSA-N 2 0 276.399 2.955 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000877743381 643516233 /nfs/dbraw/zinc/51/62/33/643516233.db2.gz VJWZAWZUJBJSPV-WBVHZDCISA-N 2 0 288.435 2.870 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000877743061 643516442 /nfs/dbraw/zinc/51/64/42/643516442.db2.gz TVAOSTCOVJTFKJ-SCTDSRPQSA-N 2 0 299.462 2.539 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968437 643669512 /nfs/dbraw/zinc/66/95/12/643669512.db2.gz MHUFURLKUAAYJN-FGTMMUONSA-N 2 0 292.467 2.752 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878104756 643737301 /nfs/dbraw/zinc/73/73/01/643737301.db2.gz OSRPGFPWFDYPKW-STQMWFEESA-N 2 0 260.372 2.695 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878105292 643738586 /nfs/dbraw/zinc/73/85/86/643738586.db2.gz ZOWXTLPMJCCSTI-SZMVWBNQSA-N 2 0 288.435 2.790 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1C ZINC000878162463 643769189 /nfs/dbraw/zinc/76/91/89/643769189.db2.gz GEXYPGVITCPOLS-WOYTXXSLSA-N 2 0 280.456 2.749 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)O2)C[C@@H]1C ZINC000878162639 643769650 /nfs/dbraw/zinc/76/96/50/643769650.db2.gz HTGMDKLHZMMTPN-JYJNAYRXSA-N 2 0 280.456 2.893 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878645885 643972938 /nfs/dbraw/zinc/97/29/38/643972938.db2.gz SESAARRHGWXMRZ-RHSMWYFYSA-N 2 0 280.456 2.608 20 0 CFADRP c1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000878748263 644013954 /nfs/dbraw/zinc/01/39/54/644013954.db2.gz UHXZEPCZUKQDIP-UHFFFAOYSA-N 2 0 273.405 2.855 20 0 CFADRP C[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000878768244 644020261 /nfs/dbraw/zinc/02/02/61/644020261.db2.gz CTQAQBUAIAPVNC-HNNXBMFYSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+]1CCC2(CCN(C/C(Cl)=C\Cl)C2)CC1 ZINC000878867555 644056008 /nfs/dbraw/zinc/05/60/08/644056008.db2.gz UWIHVNBBBFHVLI-DHZHZOJOSA-N 2 0 263.212 2.723 20 0 CFADRP COCC[N@H+](CCC1CCCC1)CC1CC[NH+](C)CC1 ZINC000879124988 644152095 /nfs/dbraw/zinc/15/20/95/644152095.db2.gz LHUVFZZUQNAPQU-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000879201270 644173382 /nfs/dbraw/zinc/17/33/82/644173382.db2.gz CSWNLFITFWARJE-UHFFFAOYSA-N 2 0 280.456 2.632 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245744 644192014 /nfs/dbraw/zinc/19/20/14/644192014.db2.gz MVTBCOKKEIGTOB-ZWKOTPCHSA-N 2 0 290.451 2.916 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCC3(CCC3)O1)CC2 ZINC000879250328 644194972 /nfs/dbraw/zinc/19/49/72/644194972.db2.gz DEQFPFOGPFJKOH-MRXNPFEDSA-N 2 0 292.467 2.896 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCCc1ccncc1)CC2 ZINC000879249963 644195041 /nfs/dbraw/zinc/19/50/41/644195041.db2.gz HVICWMHEWCYLAC-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP C[C@H](c1ccccn1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249232 644195067 /nfs/dbraw/zinc/19/50/67/644195067.db2.gz JKOUYNHKDKPBCP-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(CCSc3ccccc3)CC[C@@H]21 ZINC000879572114 644330280 /nfs/dbraw/zinc/33/02/80/644330280.db2.gz FJOKGCWSOBGSGZ-HOCLYGCPSA-N 2 0 276.449 2.805 20 0 CFADRP C[N@H+](Cc1nc2ccccc2s1)C1CCC([NH3+])CC1 ZINC000091847616 650910775 /nfs/dbraw/zinc/91/07/75/650910775.db2.gz FSMSITYOBQEAIB-UHFFFAOYSA-N 2 0 275.421 2.998 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580016 644335299 /nfs/dbraw/zinc/33/52/99/644335299.db2.gz DEKGXDDSCHXXCM-FGTMMUONSA-N 2 0 288.435 2.790 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879580276 644335576 /nfs/dbraw/zinc/33/55/76/644335576.db2.gz GQFVZRDQGLMYQH-MSOLQXFVSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000879580277 644336613 /nfs/dbraw/zinc/33/66/13/644336613.db2.gz GQFVZRDQGLMYQH-QZTJIDSGSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879583176 644339875 /nfs/dbraw/zinc/33/98/75/644339875.db2.gz WFGDGGMSSTYHQW-QZTJIDSGSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1cccc(CCC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000879583175 644340410 /nfs/dbraw/zinc/34/04/10/644340410.db2.gz WFGDGGMSSTYHQW-MSOLQXFVSA-N 2 0 272.436 2.954 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702925 644388176 /nfs/dbraw/zinc/38/81/76/644388176.db2.gz AXZWGBXEWWHHON-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)C[N@H+](CCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000879702784 644388254 /nfs/dbraw/zinc/38/82/54/644388254.db2.gz YRJZHUWBSHOGEV-UHFFFAOYSA-N 2 0 289.467 2.924 20 0 CFADRP CC(C)C[N@H+](CCC1(O)CCC1)CC1CC[NH+](C)CC1 ZINC000879703484 644389273 /nfs/dbraw/zinc/38/92/73/644389273.db2.gz OEUQBHNWZYDHQO-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1csc([C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000880009029 644497836 /nfs/dbraw/zinc/49/78/36/644497836.db2.gz ITPMPWDFMAYVDM-KBPBESRZSA-N 2 0 279.453 2.725 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCCCO)CCN1c1cc[nH+]cc1 ZINC000880260424 644616945 /nfs/dbraw/zinc/61/69/45/644616945.db2.gz DHGAUWXWBPTSAW-MRXNPFEDSA-N 2 0 291.439 2.535 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC=CC2)CCN1c1cc[nH+]cc1 ZINC000880259466 644617073 /nfs/dbraw/zinc/61/70/73/644617073.db2.gz UDQLNZKACGRLEK-CQSZACIVSA-N 2 0 257.381 2.558 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880258751 644617540 /nfs/dbraw/zinc/61/75/40/644617540.db2.gz CDPUMHGUUYUGOE-MRXNPFEDSA-N 2 0 296.418 2.620 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880317280 644650909 /nfs/dbraw/zinc/65/09/09/644650909.db2.gz QNPIFFRGBLZOOB-KGLIPLIRSA-N 2 0 279.453 2.807 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093452913 650940035 /nfs/dbraw/zinc/94/00/35/650940035.db2.gz OJUXTIHSCZHYQY-BBWFWOEESA-N 2 0 274.408 2.576 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(CCCCO2)CC1 ZINC000880456276 644716461 /nfs/dbraw/zinc/71/64/61/644716461.db2.gz IFOKCPWIHNCNLJ-HNNXBMFYSA-N 2 0 266.429 2.506 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@H]1COC(C)(C)O1 ZINC000880517176 644748171 /nfs/dbraw/zinc/74/81/71/644748171.db2.gz KVMAVZDRVJPCQR-INIZCTEOSA-N 2 0 298.471 2.726 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094368102 650957469 /nfs/dbraw/zinc/95/74/69/650957469.db2.gz XPJQSOFXVWSSSX-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000129037974 644982801 /nfs/dbraw/zinc/98/28/01/644982801.db2.gz TYFVFGWUVBRDSW-HOCLYGCPSA-N 2 0 262.397 2.878 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000249961684 650969951 /nfs/dbraw/zinc/96/99/51/650969951.db2.gz DMSHXBZQISPAEO-KZNAEPCWSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000250489966 650974626 /nfs/dbraw/zinc/97/46/26/650974626.db2.gz GOIWEAVWGOXRRE-GVDBMIGSSA-N 2 0 281.488 2.616 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CCC=CO1 ZINC000252119220 650998529 /nfs/dbraw/zinc/99/85/29/650998529.db2.gz JBPJHGIUSJISBB-HUUCEWRRSA-N 2 0 252.402 2.533 20 0 CFADRP CSCC[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000129669275 645315171 /nfs/dbraw/zinc/31/51/71/645315171.db2.gz FHNAFPXWQCQBTD-CYBMUJFWSA-N 2 0 279.453 2.782 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416236 651003373 /nfs/dbraw/zinc/00/33/73/651003373.db2.gz NMDGUUSXCSVFJT-SJLPKXTDSA-N 2 0 288.435 2.838 20 0 CFADRP c1cc(C[NH2+]CCC[NH+]2CCCCC2)c2c(c1)COCC2 ZINC000882880724 645490016 /nfs/dbraw/zinc/49/00/16/645490016.db2.gz GESFHPGBELJRTK-UHFFFAOYSA-N 2 0 288.435 2.725 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000883084109 645597987 /nfs/dbraw/zinc/59/79/87/645597987.db2.gz HLICGPAWBRDLIN-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131028293 645610547 /nfs/dbraw/zinc/61/05/47/645610547.db2.gz DXGZVPKQLOWEKC-CYBMUJFWSA-N 2 0 258.365 2.864 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883145148 645624746 /nfs/dbraw/zinc/62/47/46/645624746.db2.gz OXHDAXUDRMIFLC-OAHLLOKOSA-N 2 0 288.435 2.581 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883165178 645634795 /nfs/dbraw/zinc/63/47/95/645634795.db2.gz YDBMVGBHOWLJGC-KRWDZBQOSA-N 2 0 294.414 2.835 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000883171228 645638276 /nfs/dbraw/zinc/63/82/76/645638276.db2.gz RXHTXMBRBXWCOB-RDJZCZTQSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000883189464 645651807 /nfs/dbraw/zinc/65/18/07/645651807.db2.gz HVTVEIFEZSYUBZ-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000883195295 645655288 /nfs/dbraw/zinc/65/52/88/645655288.db2.gz PJANXTNKJHEXBB-NVXWUHKLSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883234332 645683229 /nfs/dbraw/zinc/68/32/29/645683229.db2.gz CBLHQTLDKACVKV-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H](C)C1 ZINC000883254857 645701419 /nfs/dbraw/zinc/70/14/19/645701419.db2.gz DYBPXATUYCOVSM-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CCCSC1)C(C)C ZINC000131654304 645779032 /nfs/dbraw/zinc/77/90/32/645779032.db2.gz UEHKIGDSYMEWPH-AWEZNQCLSA-N 2 0 258.475 2.981 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883416603 645808703 /nfs/dbraw/zinc/80/87/03/645808703.db2.gz ZJWSGBRQEUORIU-DLBZAZTESA-N 2 0 274.408 2.577 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883417409 645811193 /nfs/dbraw/zinc/81/11/93/645811193.db2.gz ZILZKIFFQWOCOE-ZWKOTPCHSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883417364 645811335 /nfs/dbraw/zinc/81/13/35/645811335.db2.gz YALPBQNQDHDXQD-UAGQMJEPSA-N 2 0 274.408 2.577 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883425040 645818779 /nfs/dbraw/zinc/81/87/79/645818779.db2.gz KBWCNALXGWBWGT-ORQFMDKSSA-N 2 0 274.408 2.576 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)O1 ZINC000883428725 645822081 /nfs/dbraw/zinc/82/20/81/645822081.db2.gz BGRAXZKDCCDUNF-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)C[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C(C)(C)O1 ZINC000883428480 645822154 /nfs/dbraw/zinc/82/21/54/645822154.db2.gz VKGMEDOTGSQOCR-AWEZNQCLSA-N 2 0 280.456 2.656 20 0 CFADRP NC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)C1CCCCC1 ZINC000883429615 645823505 /nfs/dbraw/zinc/82/35/05/645823505.db2.gz AJEHNJBLWHZRGR-CABCVRRESA-N 2 0 266.429 2.585 20 0 CFADRP CC(C)(C)[C@H](CN)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000883430297 645824210 /nfs/dbraw/zinc/82/42/10/645824210.db2.gz RRXLPKPMGBNPTJ-RYUDHWBXSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000883429972 645824281 /nfs/dbraw/zinc/82/42/81/645824281.db2.gz KKIXWBIMEDXBBA-MQYQWHSLSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883432312 645826480 /nfs/dbraw/zinc/82/64/80/645826480.db2.gz PCYIPPZFIKUINB-BGTYHANMSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@H]([NH3+])CN(C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883438367 645831595 /nfs/dbraw/zinc/83/15/95/645831595.db2.gz QYRWTMVXVRJQBG-IMJJTQAJSA-N 2 0 262.397 2.576 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883441336 645834948 /nfs/dbraw/zinc/83/49/48/645834948.db2.gz LWQZTOOLMDFRJO-QXSJWSMHSA-N 2 0 274.408 2.622 20 0 CFADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1(C[NH3+])CCCCC1 ZINC000883454186 645841082 /nfs/dbraw/zinc/84/10/82/645841082.db2.gz RZWDSYHUNUSQMX-UHFFFAOYSA-N 2 0 298.434 2.966 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000883461938 645843686 /nfs/dbraw/zinc/84/36/86/645843686.db2.gz GLTQHPCVCURNCJ-NVXWUHKLSA-N 2 0 280.456 2.515 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)CC1 ZINC000305114813 651050395 /nfs/dbraw/zinc/05/03/95/651050395.db2.gz HNMBXNPAMGGPEC-DYVFJYSZSA-N 2 0 294.414 2.712 20 0 CFADRP C[C@H](C(=O)OCCC[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000800174093 646170047 /nfs/dbraw/zinc/17/00/47/646170047.db2.gz MPWXYDLMYVESBO-MRXNPFEDSA-N 2 0 296.455 2.670 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884176352 646252242 /nfs/dbraw/zinc/25/22/42/646252242.db2.gz CXFHCGLYXORQCP-CABCVRRESA-N 2 0 299.503 2.623 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000135380267 646528178 /nfs/dbraw/zinc/52/81/78/646528178.db2.gz FUVXNSYTTAHXAC-CZUORRHYSA-N 2 0 269.392 2.807 20 0 CFADRP C([C@H]1CC[C@@H](C2CC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000885956774 646783387 /nfs/dbraw/zinc/78/33/87/646783387.db2.gz YJRLYTFOAXMKHH-MSOLQXFVSA-N 2 0 292.467 2.752 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000885963306 646785777 /nfs/dbraw/zinc/78/57/77/646785777.db2.gz LWLNVXMWZHHIDO-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000885968895 646789464 /nfs/dbraw/zinc/78/94/64/646789464.db2.gz DGWDJSWSVNSCRB-UHFFFAOYSA-N 2 0 281.831 2.947 20 0 CFADRP Cc1n[nH]c(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1C ZINC000886012950 646815269 /nfs/dbraw/zinc/81/52/69/646815269.db2.gz SXODNCDSSYVDOY-UHFFFAOYSA-N 2 0 292.471 2.874 20 0 CFADRP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886016520 646819421 /nfs/dbraw/zinc/81/94/21/646819421.db2.gz GLUSXDKIDRKQAD-OKZBNKHCSA-N 2 0 292.467 2.894 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C3CC3)O2)[C@H](C)C1 ZINC000886069835 646854014 /nfs/dbraw/zinc/85/40/14/646854014.db2.gz KWAPVHFADGNCNU-IWCQGFGOSA-N 2 0 280.456 2.606 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000886091549 646862214 /nfs/dbraw/zinc/86/22/14/646862214.db2.gz COYRLCIOHUEPTD-MSOLQXFVSA-N 2 0 288.435 2.607 20 0 CFADRP Clc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000886166646 646904030 /nfs/dbraw/zinc/90/40/30/646904030.db2.gz NDSNNCZOYDBEMO-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000886280435 646949998 /nfs/dbraw/zinc/94/99/98/646949998.db2.gz DXNWGARQTPQMHU-OQUILHJVSA-N 2 0 282.391 2.649 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1C[C@]12CCOC2)CC1CC[NH+](C)CC1 ZINC000886310062 646962958 /nfs/dbraw/zinc/96/29/58/646962958.db2.gz COOHQYGXYUDIPN-ROUUACIJSA-N 2 0 294.483 2.713 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCn2ccnc2)CC1 ZINC000886487570 647016492 /nfs/dbraw/zinc/01/64/92/647016492.db2.gz JGGPQAWETKOUNO-UHFFFAOYSA-N 2 0 290.455 2.660 20 0 CFADRP COCCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886503927 647021757 /nfs/dbraw/zinc/02/17/57/647021757.db2.gz KXOAVEWESZFGQF-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886506128 647022447 /nfs/dbraw/zinc/02/24/47/647022447.db2.gz CZIOICJBARCGNZ-WWDZGPRUSA-N 3 0 293.499 2.715 20 0 CFADRP COC[C@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886512283 647025056 /nfs/dbraw/zinc/02/50/56/647025056.db2.gz BJDINIKSZCKNHI-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCSC2)CC1 ZINC000886550148 647043578 /nfs/dbraw/zinc/04/35/78/647043578.db2.gz STJBWBPXUHWSEQ-SLTAFYQDSA-N 2 0 268.470 2.879 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000886555520 647045447 /nfs/dbraw/zinc/04/54/47/647045447.db2.gz VHQCWBZNDTXCNS-AQFXKWCLSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886588104 647056201 /nfs/dbraw/zinc/05/62/01/647056201.db2.gz LGYOHQMVDVZJMB-FXQLRMTLSA-N 2 0 268.445 2.533 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnn(C)c1 ZINC000886590557 647057670 /nfs/dbraw/zinc/05/76/70/647057670.db2.gz YJUOQEJUUPHFGG-MRXNPFEDSA-N 2 0 292.471 2.829 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886612214 647067173 /nfs/dbraw/zinc/06/71/73/647067173.db2.gz FXHGFGAEJQGEBT-QVOMUQBLSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C[NH+](C)C ZINC000886613863 647068004 /nfs/dbraw/zinc/06/80/04/647068004.db2.gz GYMOTQHYUAAPGD-GTPINHCMSA-N 3 0 281.488 2.571 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886615329 647069123 /nfs/dbraw/zinc/06/91/23/647069123.db2.gz DGBLKKQPAPUSTD-CGZBRXJRSA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000886622539 647073323 /nfs/dbraw/zinc/07/33/23/647073323.db2.gz WMCJOGQRPZBTQZ-AQFXKWCLSA-N 2 0 280.456 2.534 20 0 CFADRP c1cnc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000886640415 647082947 /nfs/dbraw/zinc/08/29/47/647082947.db2.gz YSCGJPPDRUBMTO-KRWDZBQOSA-N 2 0 285.435 2.781 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](c2ncccn2)C1 ZINC000886678270 647106406 /nfs/dbraw/zinc/10/64/06/647106406.db2.gz AMGXRQYMIOPLEF-HOTGVXAUSA-N 2 0 288.439 2.530 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000886718180 647121684 /nfs/dbraw/zinc/12/16/84/647121684.db2.gz SHUHMMOATJCIHS-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1 ZINC000886718125 647121797 /nfs/dbraw/zinc/12/17/97/647121797.db2.gz RHKGRDSGQDAMGQ-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC2(CCC2)CO1 ZINC000886730768 647124909 /nfs/dbraw/zinc/12/49/09/647124909.db2.gz LLBKGBKFQFJDFU-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000886774013 647133265 /nfs/dbraw/zinc/13/32/65/647133265.db2.gz GCZRWJBNBQYMII-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP Fc1cccc(F)c1[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000886859904 647162182 /nfs/dbraw/zinc/16/21/82/647162182.db2.gz JQMOKTIPZJGKRM-CHWSQXEVSA-N 2 0 280.362 2.754 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000886858286 647163126 /nfs/dbraw/zinc/16/31/26/647163126.db2.gz UYHBMXAQWSTMKQ-HUUCEWRRSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000886871957 647165033 /nfs/dbraw/zinc/16/50/33/647165033.db2.gz GGHXSDZUQCOYGK-HNNXBMFYSA-N 2 0 279.453 2.726 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)OC1 ZINC000886874721 647166585 /nfs/dbraw/zinc/16/65/85/647166585.db2.gz VDCYLPFGEHUTFC-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCc1ccncc1 ZINC000887134877 647223699 /nfs/dbraw/zinc/22/36/99/647223699.db2.gz RPLOJZKUGVFPAO-INIZCTEOSA-N 2 0 296.418 2.620 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000222344617 647262038 /nfs/dbraw/zinc/26/20/38/647262038.db2.gz GNDJBRLHQWTFMP-CABCVRRESA-N 2 0 268.445 2.797 20 0 CFADRP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925497919 647853030 /nfs/dbraw/zinc/85/30/30/647853030.db2.gz ACZBOASJSPGTRY-ZIAGYGMSSA-N 2 0 279.453 2.709 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925495243 647853315 /nfs/dbraw/zinc/85/33/15/647853315.db2.gz QBLTVCCKWJLSLZ-HRCADAONSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925495385 647859049 /nfs/dbraw/zinc/85/90/49/647859049.db2.gz MVMWTHLHWWXDEF-SPUZQDLCSA-N 2 0 299.462 2.681 20 0 CFADRP CN(CC[NH2+][C@H](CCC[NH3+])c1ccccc1)C1CCCC1 ZINC000925499717 647879377 /nfs/dbraw/zinc/87/93/77/647879377.db2.gz SUAAZZAWJZFQMO-GOSISDBHSA-N 2 0 289.467 2.931 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1nonc1C ZINC000924527592 647987048 /nfs/dbraw/zinc/98/70/48/647987048.db2.gz KIUXAISXVHQVPX-RYUDHWBXSA-N 2 0 268.405 2.539 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCc2ccccn2)CC1 ZINC000924537059 647989574 /nfs/dbraw/zinc/98/95/74/647989574.db2.gz ZSYRYXHYZWFOJC-UHFFFAOYSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924609797 648007022 /nfs/dbraw/zinc/00/70/22/648007022.db2.gz XCPOFMICUIEKML-HALDLXJZSA-N 2 0 276.424 2.509 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cccc(C[NH+](C)C)c1 ZINC000924649027 648018559 /nfs/dbraw/zinc/01/85/59/648018559.db2.gz NUFKTVGJYQUCGW-LSDHHAIUSA-N 2 0 286.423 2.684 20 0 CFADRP C([NH2+][C@H]1CCOC12CCCCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924651103 648019153 /nfs/dbraw/zinc/01/91/53/648019153.db2.gz UYBAAJRRMIQZNA-ZBFHGGJFSA-N 2 0 278.440 2.552 20 0 CFADRP COc1cccc(CC[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000924681797 648025279 /nfs/dbraw/zinc/02/52/79/648025279.db2.gz AJYYABDKKLNSEN-ROUUACIJSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccnnc1 ZINC000924686456 648026665 /nfs/dbraw/zinc/02/66/65/648026665.db2.gz LQNHIWLBJXFXFW-CABCVRRESA-N 2 0 276.428 2.782 20 0 CFADRP CCON1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000924685283 648026828 /nfs/dbraw/zinc/02/68/28/648026828.db2.gz HSDKWKAVSRGWCD-MRXNPFEDSA-N 2 0 297.487 2.647 20 0 CFADRP C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)C[NH+]1CCCC1 ZINC000924716254 648034365 /nfs/dbraw/zinc/03/43/65/648034365.db2.gz OKEGXHPWELGXNU-HPUBIQBYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924716657 648034777 /nfs/dbraw/zinc/03/47/77/648034777.db2.gz JCBHCAJEQBQSCH-RDTXWAMCSA-N 2 0 289.467 2.739 20 0 CFADRP C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)C[NH+]1CCCC1 ZINC000924716255 648034814 /nfs/dbraw/zinc/03/48/14/648034814.db2.gz OKEGXHPWELGXNU-UQPPLGOBSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1(Br)CC1)C[NH+]1CCCC1 ZINC000924717682 648035048 /nfs/dbraw/zinc/03/50/48/648035048.db2.gz WDWLOTVBDFHSHW-VXGBXAGGSA-N 2 0 289.261 2.624 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)C[NH+]1CCCCC1 ZINC000924722854 648035949 /nfs/dbraw/zinc/03/59/49/648035949.db2.gz VEDBEXAGPWJLFG-KGLIPLIRSA-N 2 0 277.412 2.560 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)Cc1ccccn1)C[NH+]1CCCCC1 ZINC000924722663 648036013 /nfs/dbraw/zinc/03/60/13/648036013.db2.gz SYRGUKXRWAJMCX-CVEARBPZSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1ncco1 ZINC000924728373 648037734 /nfs/dbraw/zinc/03/77/34/648037734.db2.gz FJXKFOABEQHVGL-NEPJUHHUSA-N 2 0 262.357 2.637 20 0 CFADRP CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924752176 648041058 /nfs/dbraw/zinc/04/10/58/648041058.db2.gz FKXYTJRZTWBOKU-YOEHRIQHSA-N 2 0 278.440 2.806 20 0 CFADRP CC(C)C[C@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924860628 648061691 /nfs/dbraw/zinc/06/16/91/648061691.db2.gz CVUHFUHBNKIJFE-PBHICJAKSA-N 2 0 278.440 2.806 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2[C@H](C)CC[C@@H]2C)CC1 ZINC000924911044 648070392 /nfs/dbraw/zinc/07/03/92/648070392.db2.gz APFATBJHFPRLEU-FOLVSLTJSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2[C@H](C)COC[C@H]2C)c1 ZINC000924957835 648080220 /nfs/dbraw/zinc/08/02/20/648080220.db2.gz IWJVWFRXKFGLGN-HUUCEWRRSA-N 2 0 290.451 2.899 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C2CCC2)c1 ZINC000924961724 648081197 /nfs/dbraw/zinc/08/11/97/648081197.db2.gz BBIRMFYOJVQAAI-ZDUSSCGKSA-N 2 0 276.428 2.601 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924965937 648082312 /nfs/dbraw/zinc/08/23/12/648082312.db2.gz ZQLVMNORMAJGMD-AWEZNQCLSA-N 2 0 290.451 2.906 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000925086328 648102370 /nfs/dbraw/zinc/10/23/70/648102370.db2.gz OCUXBXZFQFBSHG-GDBMZVCRSA-N 2 0 277.456 2.969 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000925114683 648109254 /nfs/dbraw/zinc/10/92/54/648109254.db2.gz RZVCYNXRWPPBTE-DOTOQJQBSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000925131218 648113068 /nfs/dbraw/zinc/11/30/68/648113068.db2.gz YECRBUQROQZPRT-BBWFWOEESA-N 2 0 294.483 2.900 20 0 CFADRP FC(F)(F)CCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925192521 648127799 /nfs/dbraw/zinc/12/77/99/648127799.db2.gz VMJUEYUEQLVSKW-NWDGAFQWSA-N 2 0 264.335 2.935 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C1[C@H](C)COC[C@H]1C)C(C)C ZINC000925196420 648129000 /nfs/dbraw/zinc/12/90/00/648129000.db2.gz MBZKHMYUKQQVBY-HUUCEWRRSA-N 2 0 270.461 2.756 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000925222390 648135035 /nfs/dbraw/zinc/13/50/35/648135035.db2.gz SKSKZRFYTJWTGS-BZUAXINKSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C(C)(C)CO ZINC000925228244 648136008 /nfs/dbraw/zinc/13/60/08/648136008.db2.gz HFBGBGJTLCLRGL-QQFBHYJXSA-N 2 0 282.472 2.780 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC2CCC1CC2 ZINC000925241206 648139643 /nfs/dbraw/zinc/13/96/43/648139643.db2.gz NPBRWFNDAWKHBD-FJBKBRRZSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000925276372 648149402 /nfs/dbraw/zinc/14/94/02/648149402.db2.gz OZAMCUALSWRPLJ-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925303089 648153478 /nfs/dbraw/zinc/15/34/78/648153478.db2.gz LKDXPHSVDGIJJG-GDBMZVCRSA-N 2 0 270.461 2.779 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)CO1 ZINC000925307077 648153581 /nfs/dbraw/zinc/15/35/81/648153581.db2.gz KXQJNYUMIDQQPT-KTAKPFMOSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C2(Br)CC2)CC1 ZINC000925303149 648153814 /nfs/dbraw/zinc/15/38/14/648153814.db2.gz LUWMQUFKRQMLCN-NSHDSACASA-N 2 0 289.261 2.765 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925474559 648178098 /nfs/dbraw/zinc/17/80/98/648178098.db2.gz CKEFKXWXHPLKOG-OWCLPIDISA-N 2 0 258.409 2.867 20 0 CFADRP c1ccc(NCCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)nc1 ZINC000925481335 648179804 /nfs/dbraw/zinc/17/98/04/648179804.db2.gz XWNKSZLAQFMMJV-OAHLLOKOSA-N 2 0 288.439 2.538 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCN(c3ccccc3)C1)[NH2+]2 ZINC000925498567 648184375 /nfs/dbraw/zinc/18/43/75/648184375.db2.gz QTBSPIVRHRKPAP-DARIXABFSA-N 2 0 299.462 2.774 20 0 CFADRP CC(C)c1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925499241 648185794 /nfs/dbraw/zinc/18/57/94/648185794.db2.gz NNMUSKSMLGMYDS-NEPJUHHUSA-N 2 0 265.401 2.794 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925504766 648187728 /nfs/dbraw/zinc/18/77/28/648187728.db2.gz MRYUIJHUPSKOEE-UGUYLWEFSA-N 2 0 281.488 2.602 20 0 CFADRP CSCCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925505826 648188681 /nfs/dbraw/zinc/18/86/81/648188681.db2.gz STWMZOGRPJXDIY-LSDHHAIUSA-N 2 0 270.486 2.888 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925506688 648188694 /nfs/dbraw/zinc/18/86/94/648188694.db2.gz WLRQNEANAYPZOS-MJBXVCDLSA-N 2 0 256.434 2.687 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511656 648191509 /nfs/dbraw/zinc/19/15/09/648191509.db2.gz RCVSHYXCLBWDEA-ZBFHGGJFSA-N 2 0 281.488 2.747 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000925513115 648192655 /nfs/dbraw/zinc/19/26/55/648192655.db2.gz HRTNBLRKAYEGDZ-KRWDZBQOSA-N 2 0 289.467 2.759 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925512517 648192725 /nfs/dbraw/zinc/19/27/25/648192725.db2.gz FGAOJTXQYJWAHJ-SOLBZPMBSA-N 2 0 289.467 2.929 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C12CCCC2 ZINC000925514743 648193525 /nfs/dbraw/zinc/19/35/25/648193525.db2.gz BSECNPDEGIPQRZ-LJISPDSOSA-N 2 0 278.440 2.584 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000925516654 648194430 /nfs/dbraw/zinc/19/44/30/648194430.db2.gz DZHXQIFYVQQKDB-GOSISDBHSA-N 3 0 289.467 2.932 20 0 CFADRP C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925518097 648195409 /nfs/dbraw/zinc/19/54/09/648195409.db2.gz DDGSCQDUPLPWIC-JZKQVHKSSA-N 2 0 296.480 2.556 20 0 CFADRP CN(C)C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925519291 648196261 /nfs/dbraw/zinc/19/62/61/648196261.db2.gz LXBIJOGYHYIKPW-KRWDZBQOSA-N 2 0 289.467 2.931 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c[nH]c21 ZINC000925522634 648198176 /nfs/dbraw/zinc/19/81/76/648198176.db2.gz NZVUCMWDHZRUJE-WMRANVBESA-N 2 0 295.430 2.605 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925524201 648199688 /nfs/dbraw/zinc/19/96/88/648199688.db2.gz QYORTFOURKLGHP-ZDEQEGDKSA-N 2 0 256.459 2.766 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC000925528321 648201790 /nfs/dbraw/zinc/20/17/90/648201790.db2.gz DLUSUPZFFWWDOP-JKSUJKDBSA-N 2 0 276.424 2.699 20 0 CFADRP C[C@]1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCC[C@H]1O ZINC000925532035 648203248 /nfs/dbraw/zinc/20/32/48/648203248.db2.gz UNWMHISOEJLTQH-RCCFBDPRSA-N 2 0 290.451 2.997 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000925531877 648203403 /nfs/dbraw/zinc/20/34/03/648203403.db2.gz BYRJELCDHLISPL-HOTGVXAUSA-N 2 0 298.434 2.868 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000925535408 648205672 /nfs/dbraw/zinc/20/56/72/648205672.db2.gz GESJXTBKEZATLY-VQXHTEKXSA-N 2 0 264.335 2.838 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000925538113 648206763 /nfs/dbraw/zinc/20/67/63/648206763.db2.gz RJSYENFWZOFTLI-OAHLLOKOSA-N 2 0 280.387 2.715 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925541014 648207987 /nfs/dbraw/zinc/20/79/87/648207987.db2.gz ACNWDFJNEDFIJG-BRWVUGGUSA-N 2 0 293.499 2.602 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925546679 648211711 /nfs/dbraw/zinc/21/17/11/648211711.db2.gz MHXUAWGYZZPUHP-CVEARBPZSA-N 2 0 286.419 2.586 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCCS1 ZINC000925551523 648212522 /nfs/dbraw/zinc/21/25/22/648212522.db2.gz GQPJUENLYLUMMV-CHWSQXEVSA-N 2 0 254.443 2.536 20 0 CFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925554524 648214716 /nfs/dbraw/zinc/21/47/16/648214716.db2.gz BJERWLCAOZCOME-SJORKVTESA-N 2 0 292.467 2.677 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCC1 ZINC000925554926 648214804 /nfs/dbraw/zinc/21/48/04/648214804.db2.gz FHBXSLPSKQOASI-DMRKSPOLSA-N 2 0 292.467 2.559 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925558312 648215550 /nfs/dbraw/zinc/21/55/50/648215550.db2.gz QLPSQEDVLVDMCO-HZPDHXFCSA-N 2 0 273.424 2.502 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925557600 648215743 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CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2)C12CCC2 ZINC000925582641 648226847 /nfs/dbraw/zinc/22/68/47/648226847.db2.gz BQCBNMHTQYEIIV-KBPBESRZSA-N 2 0 280.799 2.578 20 0 CFADRP CS[C@@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925585612 648228643 /nfs/dbraw/zinc/22/86/43/648228643.db2.gz HVDOYDRSFPOZME-GXTWGEPZSA-N 2 0 252.427 2.808 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C12CCC2 ZINC000925590315 648230670 /nfs/dbraw/zinc/23/06/70/648230670.db2.gz HFIWVCHUEZQOPR-ZIAGYGMSSA-N 2 0 296.361 2.690 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925596454 648232667 /nfs/dbraw/zinc/23/26/67/648232667.db2.gz MYKMBJQFYNHIBI-KFWWJZLASA-N 2 0 250.430 2.790 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)C12CCC2 ZINC000925602911 648235111 /nfs/dbraw/zinc/23/51/11/648235111.db2.gz YXULUEPZTOBLSN-GJZGRUSLSA-N 2 0 256.349 2.792 20 0 CFADRP c1coc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925612232 648238971 /nfs/dbraw/zinc/23/89/71/648238971.db2.gz PWGQRXKDCRVUFF-HZPDHXFCSA-N 2 0 262.397 2.580 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H](C)[C@@H]1OC ZINC000925615497 648240216 /nfs/dbraw/zinc/24/02/16/648240216.db2.gz NORHYNVUWUWFTM-AHDPXTMNSA-N 2 0 280.456 2.686 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925616193 648241149 /nfs/dbraw/zinc/24/11/49/648241149.db2.gz KUUIGUMODBXOOV-HUUCEWRRSA-N 2 0 268.445 2.702 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)OC ZINC000925616195 648241548 /nfs/dbraw/zinc/24/15/48/648241548.db2.gz KUUIGUMODBXOOV-LSDHHAIUSA-N 2 0 268.445 2.702 20 0 CFADRP c1ccc(CC2(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925616569 648241864 /nfs/dbraw/zinc/24/18/64/648241864.db2.gz NGPCBLHTIUORER-IGKNDFSCSA-N 2 0 282.431 2.595 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925619383 648243070 /nfs/dbraw/zinc/24/30/70/648243070.db2.gz MZNAZYOVERSIDU-XBVQOTNRSA-N 2 0 290.451 2.647 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925621637 648244130 /nfs/dbraw/zinc/24/41/30/648244130.db2.gz FUDVSWWWELIXKP-YCPHGPKFSA-N 2 0 270.461 2.669 20 0 CFADRP COc1cc(C)cc(CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925620993 648244194 /nfs/dbraw/zinc/24/41/94/648244194.db2.gz FEWHSHKXDWXLDQ-INIZCTEOSA-N 2 0 274.408 2.768 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cs1 ZINC000925625398 648246872 /nfs/dbraw/zinc/24/68/72/648246872.db2.gz DTSZJSQNVRNULP-STQMWFEESA-N 2 0 293.480 2.843 20 0 CFADRP COCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925631739 648250618 /nfs/dbraw/zinc/25/06/18/648250618.db2.gz JCIBNYVATUWGHY-RDBSUJKOSA-N 2 0 280.412 2.853 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)C1 ZINC000925637298 648255080 /nfs/dbraw/zinc/25/50/80/648255080.db2.gz ZBACXUJLUGZBGN-KFWWJZLASA-N 2 0 296.455 2.558 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925636663 648255339 /nfs/dbraw/zinc/25/53/39/648255339.db2.gz ZQVWPVLEQXEYDJ-MQYQWHSLSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000925638658 648255889 /nfs/dbraw/zinc/25/58/89/648255889.db2.gz DSJDUSQJQVDOGW-UPTPFMHGSA-N 2 0 288.435 2.547 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925639193 648256113 /nfs/dbraw/zinc/25/61/13/648256113.db2.gz KOCWRLKXBWHICD-STQMWFEESA-N 2 0 256.434 2.545 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCC[C@H]2CCCCO2)C[C@@H]([NH3+])C1 ZINC000925640163 648256890 /nfs/dbraw/zinc/25/68/90/648256890.db2.gz QOVVESMHTKIZLL-QLFBSQMISA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H](CO)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925641005 648257175 /nfs/dbraw/zinc/25/71/75/648257175.db2.gz XNIGGBZQTRFYFK-GJZGRUSLSA-N 2 0 278.440 2.807 20 0 CFADRP CSCCCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925641593 648257219 /nfs/dbraw/zinc/25/72/19/648257219.db2.gz BVSHWLVHWUAEII-IHRRRGAJSA-N 2 0 270.486 2.886 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925643578 648258157 /nfs/dbraw/zinc/25/81/57/648258157.db2.gz FYBJUSPJNJJXRH-HUUCEWRRSA-N 2 0 276.449 2.909 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925650417 648262044 /nfs/dbraw/zinc/26/20/44/648262044.db2.gz UVZPVACRJWJJNI-JKSUJKDBSA-N 2 0 282.472 2.686 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C12CCC2 ZINC000925652048 648262665 /nfs/dbraw/zinc/26/26/65/648262665.db2.gz BHLBLULMCYVSBP-MIGQKNRLSA-N 2 0 274.383 2.931 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925652981 648262840 /nfs/dbraw/zinc/26/28/40/648262840.db2.gz BPAANPGGLKTZJG-LQDNZJFVSA-N 2 0 282.431 2.693 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925653645 648264083 /nfs/dbraw/zinc/26/40/83/648264083.db2.gz IVNGJWZZUOGVFV-BHYGNILZSA-N 2 0 279.472 2.514 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925655733 648265306 /nfs/dbraw/zinc/26/53/06/648265306.db2.gz HALCIQHDVPMFJT-NWDGAFQWSA-N 2 0 256.459 2.768 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925656731 648265440 /nfs/dbraw/zinc/26/54/40/648265440.db2.gz KYCOBTDMBCYRDK-KBPBESRZSA-N 2 0 268.470 2.640 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000925657526 648266893 /nfs/dbraw/zinc/26/68/93/648266893.db2.gz TXVGLPGCSVNQLO-IJLUTSLNSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C12CCC2 ZINC000925659695 648267750 /nfs/dbraw/zinc/26/77/50/648267750.db2.gz FPLUTXMZFIXPQT-RRFJBIMHSA-N 2 0 276.811 2.667 20 0 CFADRP c1ccc(C2CC(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)cc1 ZINC000925665854 648269417 /nfs/dbraw/zinc/26/94/17/648269417.db2.gz MXIOJTUGJOAUON-UXQQPUGNSA-N 2 0 282.431 2.766 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(F)(F)c1ccccc1 ZINC000925668979 648270786 /nfs/dbraw/zinc/27/07/86/648270786.db2.gz MUGLVZJUHHMZRU-AVJIGQEQSA-N 2 0 280.362 2.884 20 0 CFADRP CN(C)c1cccnc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925669149 648271971 /nfs/dbraw/zinc/27/19/71/648271971.db2.gz PUMGACLZOVUGQJ-INIZCTEOSA-N 2 0 298.434 2.717 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671730 648273102 /nfs/dbraw/zinc/27/31/02/648273102.db2.gz FGRPBDOITSGXST-KGLIPLIRSA-N 2 0 270.461 2.935 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925677287 648275334 /nfs/dbraw/zinc/27/53/34/648275334.db2.gz SEMNBSIBMMIRNH-HLLBOEOZSA-N 2 0 277.456 2.785 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)C1 ZINC000925678020 648276199 /nfs/dbraw/zinc/27/61/99/648276199.db2.gz SCVGGZKAASSOTI-BZUAXINKSA-N 2 0 282.472 2.671 20 0 CFADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)cc1 ZINC000925678252 648276404 /nfs/dbraw/zinc/27/64/04/648276404.db2.gz UABMBAPFHZZDIN-BKXYKFRJSA-N 2 0 286.394 2.658 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925681445 648277445 /nfs/dbraw/zinc/27/74/45/648277445.db2.gz UZYZYWICMJRWJK-JYJNAYRXSA-N 2 0 280.456 2.559 20 0 CFADRP FCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925684089 648278658 /nfs/dbraw/zinc/27/86/58/648278658.db2.gz ZOTJMOSITDWMNK-CVEARBPZSA-N 2 0 298.446 2.511 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925687082 648280195 /nfs/dbraw/zinc/28/01/95/648280195.db2.gz FHSNIALHHJVINK-USXIJHARSA-N 2 0 285.435 2.817 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CNc2ccccc2C1 ZINC000925702083 648286111 /nfs/dbraw/zinc/28/61/11/648286111.db2.gz KQGLNULLFRAJMF-MYCCOQIQSA-N 2 0 285.435 2.519 20 0 CFADRP C[C@@H](N)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000925703293 648286147 /nfs/dbraw/zinc/28/61/47/648286147.db2.gz CYIZJCSJSOVRNX-MFNRNEDNSA-N 2 0 275.440 2.537 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925702906 648286478 /nfs/dbraw/zinc/28/64/78/648286478.db2.gz BBPVJUXUCBJEQO-KRWDZBQOSA-N 2 0 271.408 2.774 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000925701066 648286515 /nfs/dbraw/zinc/28/65/15/648286515.db2.gz VFBJEYWQNMELLP-QILLFSRXSA-N 2 0 286.419 2.585 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925704632 648287240 /nfs/dbraw/zinc/28/72/40/648287240.db2.gz ZIOISHRCCFPDTF-BMGDILEWSA-N 2 0 288.435 2.701 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CN2 ZINC000925704553 648287602 /nfs/dbraw/zinc/28/76/02/648287602.db2.gz YJDBUQHDNWXYGK-SCTDSRPQSA-N 2 0 299.462 2.781 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925707313 648289439 /nfs/dbraw/zinc/28/94/39/648289439.db2.gz PBAUBKMOXPCFML-VQHPVUNQSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925712510 648291293 /nfs/dbraw/zinc/29/12/93/648291293.db2.gz HNDWTIBDKJDNMT-IPYPFGDCSA-N 2 0 261.413 2.508 20 0 CFADRP C[C@@]1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925711130 648291551 /nfs/dbraw/zinc/29/15/51/648291551.db2.gz SRWWKMHBJMQOIZ-NWDGAFQWSA-N 2 0 258.356 2.686 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000925711103 648291734 /nfs/dbraw/zinc/29/17/34/648291734.db2.gz SPICLUFVJWOQHJ-DNRULBRDSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1(F)F ZINC000925712197 648291794 /nfs/dbraw/zinc/29/17/94/648291794.db2.gz WTBUJTSJSLGWCW-WZRBSPASSA-N 2 0 260.372 2.917 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)CC(F)(F)F ZINC000925715737 648293508 /nfs/dbraw/zinc/29/35/08/648293508.db2.gz HBBKVGXBIQZPOK-SNVBAGLBSA-N 2 0 264.335 2.839 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CC(F)(F)F ZINC000925715646 648294061 /nfs/dbraw/zinc/29/40/61/648294061.db2.gz GJODZBMFHZLIGN-NGDQXYMTSA-N 2 0 276.346 2.551 20 0 CFADRP CC1(C)C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925716839 648295070 /nfs/dbraw/zinc/29/50/70/648295070.db2.gz QVSBYBLLMVAEHV-ZACQAIPSSA-N 2 0 293.499 2.604 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925716191 648295128 /nfs/dbraw/zinc/29/51/28/648295128.db2.gz LROIAVORFJWRPC-VHSXEESVSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000925716614 648295225 /nfs/dbraw/zinc/29/52/25/648295225.db2.gz FGLNECSBYRZDRX-ULQDDVLXSA-N 2 0 274.408 2.624 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)C12CCC2 ZINC000925723045 648298478 /nfs/dbraw/zinc/29/84/78/648298478.db2.gz QNGFJNLVQXKPSD-KFWWJZLASA-N 2 0 278.440 2.585 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925725673 648299127 /nfs/dbraw/zinc/29/91/27/648299127.db2.gz MMVGPCWIQJWIJO-YESZJQIVSA-N 3 0 293.499 2.523 20 0 CFADRP CC1(C)CC[C@H](CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[NH2+]C1 ZINC000925725365 648299149 /nfs/dbraw/zinc/29/91/49/648299149.db2.gz JZDLTEYMFLLVTA-BRWVUGGUSA-N 2 0 293.499 2.523 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925727032 648299858 /nfs/dbraw/zinc/29/98/58/648299858.db2.gz BNDINQUIJMZLIY-WISYIIOYSA-N 2 0 274.330 2.743 20 0 CFADRP C1=C[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925730690 648300893 /nfs/dbraw/zinc/30/08/93/648300893.db2.gz HQJYCNRLNLTHIF-YXJHDRRASA-N 2 0 284.403 2.798 20 0 CFADRP C1=C[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925730686 648301092 /nfs/dbraw/zinc/30/10/92/648301092.db2.gz HQJYCNRLNLTHIF-LESCRADOSA-N 2 0 284.403 2.798 20 0 CFADRP CC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC(F)(F)C1 ZINC000925734273 648302093 /nfs/dbraw/zinc/30/20/93/648302093.db2.gz PUACLSYECBOOLY-WOPDTQHZSA-N 2 0 272.383 2.788 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000925736719 648303191 /nfs/dbraw/zinc/30/31/91/648303191.db2.gz NTYDHZWKAPJIBW-AVGNSLFASA-N 2 0 260.372 2.790 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925737532 648304152 /nfs/dbraw/zinc/30/41/52/648304152.db2.gz QSUNUVRFKOQIFL-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(-c2ccccc2)nn1C ZINC000925736865 648304254 /nfs/dbraw/zinc/30/42/54/648304254.db2.gz DRJVDLBSFSZMLZ-ZDUSSCGKSA-N 2 0 286.423 2.865 20 0 CFADRP CC(C)[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000925740290 648305321 /nfs/dbraw/zinc/30/53/21/648305321.db2.gz HVQMCIMJXDLLMH-AWEZNQCLSA-N 2 0 291.395 2.948 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749966 648307532 /nfs/dbraw/zinc/30/75/32/648307532.db2.gz BQCIDGVLVBTOGW-DGCLKSJQSA-N 2 0 279.453 2.929 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Cl)n1 ZINC000925764067 648312339 /nfs/dbraw/zinc/31/23/39/648312339.db2.gz FXQHUVCHIZYQIZ-KWCYVHTRSA-N 2 0 279.815 2.521 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925768964 648313384 /nfs/dbraw/zinc/31/33/84/648313384.db2.gz MZPNTNKTWHCXNA-NFAWXSAZSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000925770609 648315006 /nfs/dbraw/zinc/31/50/06/648315006.db2.gz JJGNDJQGYHMGQL-NVXWUHKLSA-N 2 0 286.423 2.732 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925776038 648318562 /nfs/dbraw/zinc/31/85/62/648318562.db2.gz UYNOOBLMTNDPND-YKDOHLLJSA-N 2 0 292.467 2.831 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000925776515 648318761 /nfs/dbraw/zinc/31/87/61/648318761.db2.gz KXZBJQSHHZGANR-UONOGXRCSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925776824 648318899 /nfs/dbraw/zinc/31/88/99/648318899.db2.gz MMMIPRHBWGGHBE-YVECIDJPSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779809 648319982 /nfs/dbraw/zinc/31/99/82/648319982.db2.gz BWHKDOXIKSPBPQ-IJLUTSLNSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925784245 648322029 /nfs/dbraw/zinc/32/20/29/648322029.db2.gz IHNYXCDHLSFPAZ-NCOADZHNSA-N 2 0 287.451 2.861 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925786141 648323332 /nfs/dbraw/zinc/32/33/32/648323332.db2.gz VZGSVUZBVMSVAA-STQMWFEESA-N 2 0 260.372 2.956 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925790834 648324137 /nfs/dbraw/zinc/32/41/37/648324137.db2.gz LAQQQPRKEGPJHV-IFIJOSMWSA-N 2 0 274.408 2.518 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925790041 648324570 /nfs/dbraw/zinc/32/45/70/648324570.db2.gz FKWGWSUTGPCDNZ-GRYCIOLGSA-N 2 0 279.453 2.528 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)oc21 ZINC000925790019 648324704 /nfs/dbraw/zinc/32/47/04/648324704.db2.gz FANHUXRHBOKPQE-BZPMIXESSA-N 2 0 288.391 2.948 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925790352 648324831 /nfs/dbraw/zinc/32/48/31/648324831.db2.gz HKEWEQAIPMCRKE-WZRBSPASSA-N 2 0 297.240 2.955 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791190 648325218 /nfs/dbraw/zinc/32/52/18/648325218.db2.gz OXFRFSSMFNJYPK-FRRDWIJNSA-N 2 0 252.427 2.514 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925791822 648325478 /nfs/dbraw/zinc/32/54/78/648325478.db2.gz SMHMIGPAKVAXSC-DYEKYZERSA-N 2 0 264.438 2.915 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000925791505 648325574 /nfs/dbraw/zinc/32/55/74/648325574.db2.gz RDOJZODAGOHCOE-JRPNMDOOSA-N 2 0 264.800 2.772 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)s1 ZINC000925792867 648325684 /nfs/dbraw/zinc/32/56/84/648325684.db2.gz WWNCQIIZFDMIEK-BBBLOLIVSA-N 2 0 258.818 2.908 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000925801748 648327298 /nfs/dbraw/zinc/32/72/98/648327298.db2.gz WYZLCOWTFOGZHX-MBNYWOFBSA-N 2 0 250.361 2.722 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000925799032 648327524 /nfs/dbraw/zinc/32/75/24/648327524.db2.gz SPBXGJIGIVRVOW-SHFYGJNESA-N 2 0 258.409 2.755 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000925804227 648328237 /nfs/dbraw/zinc/32/82/37/648328237.db2.gz ZZXAUWBUAMCSBR-XWIASGKRSA-N 2 0 298.352 2.926 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2(c3ccccc3)CC2)C12CCC2 ZINC000925805262 648329014 /nfs/dbraw/zinc/32/90/14/648329014.db2.gz RNXDXEDLONYSJL-JKSUJKDBSA-N 2 0 270.420 2.968 20 0 CFADRP C[C@H]([NH2+]CCC1(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000925805017 648329347 /nfs/dbraw/zinc/32/93/47/648329347.db2.gz PIHVJOOBLYNNSZ-GOEBONIOSA-N 2 0 258.409 2.838 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807204 648329941 /nfs/dbraw/zinc/32/99/41/648329941.db2.gz IYCGBZRBQXIAPW-CQSZACIVSA-N 2 0 290.455 2.996 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808385 648330003 /nfs/dbraw/zinc/33/00/03/648330003.db2.gz NHUHBIBEHPWWAH-IAGOWNOFSA-N 3 0 281.488 2.654 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925808600 648330083 /nfs/dbraw/zinc/33/00/83/648330083.db2.gz ZBVXUEDHNSJPSK-ZBFHGGJFSA-N 2 0 273.424 2.568 20 0 CFADRP c1[nH]nc2c1[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)CCC2 ZINC000925807452 648330309 /nfs/dbraw/zinc/33/03/09/648330309.db2.gz JSJVSUAWPYJZJG-MRXNPFEDSA-N 2 0 290.455 2.937 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809429 648330355 /nfs/dbraw/zinc/33/03/55/648330355.db2.gz IBPURNCEJGUZCN-HNNXBMFYSA-N 2 0 281.488 2.748 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NCCc1ccc2ncccc2c1 ZINC000925812093 648330850 /nfs/dbraw/zinc/33/08/50/648330850.db2.gz GTHDCPYAAIPTDI-INIZCTEOSA-N 2 0 269.392 2.507 20 0 CFADRP CC[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000925810338 648330876 /nfs/dbraw/zinc/33/08/76/648330876.db2.gz YUUZWHGFAYDQLW-SJORKVTESA-N 3 0 281.488 2.667 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc2ncccc2c1 ZINC000925812098 648331025 /nfs/dbraw/zinc/33/10/25/648331025.db2.gz GWANJTHPUCLVIE-CQSZACIVSA-N 2 0 271.408 2.884 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2nccn2C1)c1ccnn1CC1CCC1 ZINC000925812112 648331138 /nfs/dbraw/zinc/33/11/38/648331138.db2.gz HBKCZVNSXGQCPF-ZFWWWQNUSA-N 2 0 299.422 2.545 20 0 CFADRP COC[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)C(C)C ZINC000925809466 648331193 /nfs/dbraw/zinc/33/11/93/648331193.db2.gz VSSYXHFJESTQQH-MRXNPFEDSA-N 2 0 270.461 2.807 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925824986 648334222 /nfs/dbraw/zinc/33/42/22/648334222.db2.gz XRIQKXFUHWIDIT-RZZCCWGQSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925825303 648335078 /nfs/dbraw/zinc/33/50/78/648335078.db2.gz CWUXKEQEIGXRKI-FVQBIDKESA-N 2 0 268.445 2.831 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000925826732 648335289 /nfs/dbraw/zinc/33/52/89/648335289.db2.gz IUEFDBNMUPPCFP-GXTWGEPZSA-N 2 0 268.376 2.539 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2nc3c(s2)CCC3)C1 ZINC000925829316 648336702 /nfs/dbraw/zinc/33/67/02/648336702.db2.gz CALTUOMKCMVZFI-RYUDHWBXSA-N 2 0 293.480 2.670 20 0 CFADRP c1ccc2ncc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000925833024 648336998 /nfs/dbraw/zinc/33/69/98/648336998.db2.gz QAPMCCASHVQGFR-FGTMMUONSA-N 2 0 295.430 2.755 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000925832477 648337157 /nfs/dbraw/zinc/33/71/57/648337157.db2.gz WRUULMRFRIJILR-ZDEQEGDKSA-N 2 0 294.361 2.594 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1CC=CC1 ZINC000925831422 648337249 /nfs/dbraw/zinc/33/72/49/648337249.db2.gz IYZQEHKLCROOTP-LBPRGKRZSA-N 2 0 259.397 2.856 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925833247 648337273 /nfs/dbraw/zinc/33/72/73/648337273.db2.gz ZNDHRNTUMUMEPY-UTUOFQBUSA-N 2 0 282.350 2.594 20 0 CFADRP c1ccc2c(c1)CCN2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925838219 648339499 /nfs/dbraw/zinc/33/94/99/648339499.db2.gz WFRVVEJDPJONAH-KURKYZTESA-N 2 0 299.462 2.559 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000925837513 648339506 /nfs/dbraw/zinc/33/95/06/648339506.db2.gz GGKOUVXZRLXIRU-IUODEOHRSA-N 2 0 287.407 2.656 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1(C)C ZINC000925846594 648343030 /nfs/dbraw/zinc/34/30/30/648343030.db2.gz QWUPACWYNNDWQE-WBTNSWJXSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925861473 648347489 /nfs/dbraw/zinc/34/74/89/648347489.db2.gz QFUNBAIHMGQDMO-MCIONIFRSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2c(c1)CCC2 ZINC000925877314 648352886 /nfs/dbraw/zinc/35/28/86/648352886.db2.gz ODDJPPBFEKWAFH-XNJGSVPQSA-N 2 0 258.409 2.953 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(F)c1 ZINC000925877769 648353269 /nfs/dbraw/zinc/35/32/69/648353269.db2.gz XBZYOBQZJMYCKR-TUAOUCFPSA-N 2 0 266.360 2.612 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(-c2ccccc2)nn1C ZINC000925879898 648353948 /nfs/dbraw/zinc/35/39/48/648353948.db2.gz LLRJWXPCTXWDER-FMKPAKJESA-N 2 0 298.434 2.865 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000925883415 648355515 /nfs/dbraw/zinc/35/55/15/648355515.db2.gz WIFHINXWLFGRNU-UZEXVOJHSA-N 2 0 264.335 2.825 20 0 CFADRP C[C@@H](CC1CC1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887424 648356179 /nfs/dbraw/zinc/35/61/79/648356179.db2.gz CPTDRUCSXYPMEH-RRQGHBQHSA-N 2 0 258.409 2.824 20 0 CFADRP C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926203320 648433266 /nfs/dbraw/zinc/43/32/66/648433266.db2.gz WQGGNPCGLKDWIO-XGRZMECZSA-N 2 0 276.424 2.726 20 0 CFADRP C[C@H]([NH2+]CCOCC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926255709 648448715 /nfs/dbraw/zinc/44/87/15/648448715.db2.gz SEVVYDKKTOUNQE-LBPRGKRZSA-N 2 0 286.366 2.681 20 0 CFADRP CC(C)(C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000926276317 648453563 /nfs/dbraw/zinc/45/35/63/648453563.db2.gz VZGWIBIUWKIKNK-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CCC1CC(O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926287491 648456406 /nfs/dbraw/zinc/45/64/06/648456406.db2.gz DFGPLXZYPRRPTF-CBCUQQMYSA-N 2 0 276.424 2.560 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308130 648458763 /nfs/dbraw/zinc/45/87/63/648458763.db2.gz LZESFRKEWYHIAW-YSVLISHTSA-N 2 0 260.425 2.805 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1(Cl)CC1 ZINC000926311592 648459588 /nfs/dbraw/zinc/45/95/88/648459588.db2.gz ZHGKBGXCAXLVJT-LLVKDONJSA-N 2 0 256.821 2.610 20 0 CFADRP CO[C@](C)(C[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926456019 648494771 /nfs/dbraw/zinc/49/47/71/648494771.db2.gz CYPYPQPLQGFECV-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(C)(C)O ZINC000926491652 648508768 /nfs/dbraw/zinc/50/87/68/648508768.db2.gz YTLSDKAENZUAJG-XJKSGUPXSA-N 2 0 278.440 2.948 20 0 CFADRP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926574265 648539168 /nfs/dbraw/zinc/53/91/68/648539168.db2.gz ULQMDAGMVNWWKO-RISCZKNCSA-N 2 0 265.401 2.674 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@H](O)C(C)C ZINC000926590001 648543786 /nfs/dbraw/zinc/54/37/86/648543786.db2.gz WYYJAZPATLPZEV-DLBZAZTESA-N 2 0 284.488 2.882 20 0 CFADRP COc1ccnc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000926605997 648550187 /nfs/dbraw/zinc/55/01/87/648550187.db2.gz HCTKJXSTDNPTOL-HSBZDZAISA-N 2 0 277.412 2.614 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCS[C@@H]2C)CC1 ZINC000926643622 648559159 /nfs/dbraw/zinc/55/91/59/648559159.db2.gz WAXKQHAZJITMRE-UKRRQHHQSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000926646468 648561522 /nfs/dbraw/zinc/56/15/22/648561522.db2.gz YPAOXJZFMOEDPX-QGZVFWFLSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H]1COC[C@@H]1C)C1CCCCC1 ZINC000926652422 648563183 /nfs/dbraw/zinc/56/31/83/648563183.db2.gz SMTAGAHRSYOMGP-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926697812 648580461 /nfs/dbraw/zinc/58/04/61/648580461.db2.gz OJBRPYAMKAVZOS-DOMZBBRYSA-N 2 0 298.377 2.823 20 0 CFADRP CCSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000926711025 648585934 /nfs/dbraw/zinc/58/59/34/648585934.db2.gz VZXQBMDOVAFKPS-GOOCMWNKSA-N 2 0 298.496 2.504 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnccc1C(F)(F)F ZINC000926738891 648597606 /nfs/dbraw/zinc/59/76/06/648597606.db2.gz NEUJHJOPDRZQTH-BVUQATHDSA-N 2 0 299.340 2.530 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000926749179 648600188 /nfs/dbraw/zinc/60/01/88/648600188.db2.gz XMGUAIZUOLAVLW-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000926753468 648602097 /nfs/dbraw/zinc/60/20/97/648602097.db2.gz HSZUYAMIULYKJV-ZACQAIPSSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1(Br)CC1 ZINC000926754981 648603528 /nfs/dbraw/zinc/60/35/28/648603528.db2.gz VOQWJYPTUIDRAF-RYUDHWBXSA-N 2 0 289.261 2.624 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000926791125 648617131 /nfs/dbraw/zinc/61/71/31/648617131.db2.gz NUMQSKWSHVJLLX-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP COc1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)on1 ZINC000926796716 648619558 /nfs/dbraw/zinc/61/95/58/648619558.db2.gz LVOHKWHGVIOCCQ-BZUNDVKYSA-N 2 0 281.400 2.597 20 0 CFADRP CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926845682 648633160 /nfs/dbraw/zinc/63/31/60/648633160.db2.gz MIGPRJVQRRYXGK-FRFSOERESA-N 2 0 276.424 2.824 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2nc3c(s2)CCC3)CC1 ZINC000926939816 648664769 /nfs/dbraw/zinc/66/47/69/648664769.db2.gz ZDKVHHCKXRFZBT-UHFFFAOYSA-N 2 0 293.480 2.638 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)[C@@H]2CCC[C@@H]21 ZINC000927009004 648680972 /nfs/dbraw/zinc/68/09/72/648680972.db2.gz BCSNKOUYJQHKQT-QAETUUGQSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)C1CC[NH+](C)CC1 ZINC000927021723 648685820 /nfs/dbraw/zinc/68/58/20/648685820.db2.gz XJNWJMOYJKWTHJ-GOEBONIOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)C1CC[NH+](C)CC1 ZINC000927021725 648686101 /nfs/dbraw/zinc/68/61/01/648686101.db2.gz XJNWJMOYJKWTHJ-ZBFHGGJFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCS1 ZINC000927029915 648688673 /nfs/dbraw/zinc/68/86/73/648688673.db2.gz QXLOKBSJGYHOLD-QMIVOQANSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000927037692 648689545 /nfs/dbraw/zinc/68/95/45/648689545.db2.gz KJWKAFIPZOHWJN-ZLPCBKJTSA-N 3 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCO1 ZINC000927037201 648689692 /nfs/dbraw/zinc/68/96/92/648689692.db2.gz LXRLQVVNECEPJL-CIDNJEQPSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037859 648689785 /nfs/dbraw/zinc/68/97/85/648689785.db2.gz LEXKQLFFLXGUJR-NUWOQIAWSA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000927038766 648690553 /nfs/dbraw/zinc/69/05/53/648690553.db2.gz QHHKNPWNOYIELY-QQFBHYJXSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@H]2CCC[C@@H]21 ZINC000927064526 648693663 /nfs/dbraw/zinc/69/36/63/648693663.db2.gz WJDXGDJZMLMSEA-QZWWFDLISA-N 2 0 285.435 2.921 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000929278446 649021590 /nfs/dbraw/zinc/02/15/90/649021590.db2.gz YPCBAMUTHJUYAG-VQFNDLOPSA-N 2 0 294.483 2.998 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000929428620 649047559 /nfs/dbraw/zinc/04/75/59/649047559.db2.gz SYDZVQPMLAIHLC-XDNAFOTISA-N 2 0 293.499 2.523 20 0 CFADRP CC[C@H](C)[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929507258 649063087 /nfs/dbraw/zinc/06/30/87/649063087.db2.gz SQWKRUMWRGMRHD-GOEBONIOSA-N 2 0 298.471 2.626 20 0 CFADRP CC1CC(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000929686091 649095490 /nfs/dbraw/zinc/09/54/90/649095490.db2.gz DRRUQMKNXHCCOM-GPANFISMSA-N 2 0 250.430 2.983 20 0 CFADRP COC/C(C)=C\CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929687557 649096424 /nfs/dbraw/zinc/09/64/24/649096424.db2.gz NAOJGSBMWSCBFF-UJPCXNRSSA-N 2 0 266.429 2.529 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000929764231 649115554 /nfs/dbraw/zinc/11/55/54/649115554.db2.gz RJZIZGBWPPSLQK-CIRFHOKZSA-N 2 0 294.483 2.854 20 0 CFADRP COC[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C(C)C ZINC000929762632 649115725 /nfs/dbraw/zinc/11/57/25/649115725.db2.gz IAORYDHLMBCVTJ-IAGOWNOFSA-N 2 0 282.472 2.569 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000929764230 649115806 /nfs/dbraw/zinc/11/58/06/649115806.db2.gz RJZIZGBWPPSLQK-ATLSCFEFSA-N 2 0 294.483 2.854 20 0 CFADRP CC1CC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000930060456 649175049 /nfs/dbraw/zinc/17/50/49/649175049.db2.gz IQUPANZYBPIGBE-UMPYDWHISA-N 2 0 262.441 2.981 20 0 CFADRP Cc1nnsc1[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930310449 649227701 /nfs/dbraw/zinc/22/77/01/649227701.db2.gz ZAODBZMRTSMWNK-ZDUSSCGKSA-N 2 0 294.468 2.715 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCC(C)(F)F)C2)C1 ZINC000930578001 649279178 /nfs/dbraw/zinc/27/91/78/649279178.db2.gz WYWJNZQXJDQJTF-AWEZNQCLSA-N 2 0 260.372 2.840 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CC3CC(C)C3)CC2)CC1 ZINC000930752131 649321093 /nfs/dbraw/zinc/32/10/93/649321093.db2.gz VBDMRHKWCRQPMV-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP COc1ccc(CC[N@@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)cc1 ZINC000931310312 649405289 /nfs/dbraw/zinc/40/52/89/649405289.db2.gz YDMIULMOFIHLQE-HDICACEKSA-N 2 0 288.435 2.511 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931309647 649405423 /nfs/dbraw/zinc/40/54/23/649405423.db2.gz RVYIOFKDPZJLOQ-XMTFNYHQSA-N 2 0 294.483 2.855 20 0 CFADRP Cc1cccc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931434897 649426855 /nfs/dbraw/zinc/42/68/55/649426855.db2.gz AJMVUMJSYCTYSI-BHYGNILZSA-N 2 0 258.409 2.940 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c2ccccc2n1 ZINC000931437885 649427640 /nfs/dbraw/zinc/42/76/40/649427640.db2.gz CYINZACKWCATEE-WBVHZDCISA-N 2 0 295.430 2.927 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000931441744 649428560 /nfs/dbraw/zinc/42/85/60/649428560.db2.gz OISCDJFSPNPMAY-CABCVRRESA-N 2 0 278.827 2.766 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H](C)c2cnc(C)s2)[nH]1 ZINC000931468303 649435635 /nfs/dbraw/zinc/43/56/35/649435635.db2.gz VRVJNGURBPEIAA-QMMMGPOBSA-N 2 0 250.371 2.642 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)cncc1F)CC2 ZINC000931468720 649435655 /nfs/dbraw/zinc/43/56/55/649435655.db2.gz ZYKPEPRTTNAQEH-UHFFFAOYSA-N 2 0 295.377 2.668 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnn(CCF)c1 ZINC000931703098 649475753 /nfs/dbraw/zinc/47/57/53/649475753.db2.gz SBURKWGGHLOUHP-UHFFFAOYSA-N 2 0 296.434 2.551 20 0 CFADRP COc1ccc([C@@H](C)C[N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000931719009 649477838 /nfs/dbraw/zinc/47/78/38/649477838.db2.gz ZCQWDDCHMROJRB-UAGQMJEPSA-N 2 0 288.435 2.967 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H](COC)C(C)C)CC1 ZINC000931751604 649484087 /nfs/dbraw/zinc/48/40/87/649484087.db2.gz BMMBDTYEOHIJNT-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Cc2nccs2)C1 ZINC000932197230 649562783 /nfs/dbraw/zinc/56/27/83/649562783.db2.gz DTBXBWDLQYYEIN-HUUCEWRRSA-N 2 0 293.480 2.882 20 0 CFADRP CSCC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000932591632 649624919 /nfs/dbraw/zinc/62/49/19/649624919.db2.gz PWGOQOOZNTYMMD-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@]12C[N@H+](CCCn3ccnc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933707685 649715895 /nfs/dbraw/zinc/71/58/95/649715895.db2.gz VHDDATFAGQOHFY-XUWVNRHRSA-N 2 0 259.397 2.641 20 0 CFADRP c1cc2c[nH+]c(N3CC[NH+](C4CCCC4)CC3)cc2[nH]1 ZINC001165029847 721853626 /nfs/dbraw/zinc/85/36/26/721853626.db2.gz NIGZXAXVHFVFIK-UHFFFAOYSA-N 2 0 270.380 2.628 20 0 CFADRP Nc1cc[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165046361 721964903 /nfs/dbraw/zinc/96/49/03/721964903.db2.gz JZGXWINMIGFNEC-HNNXBMFYSA-N 2 0 274.412 2.509 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000693019241 770094337 /nfs/dbraw/zinc/09/43/37/770094337.db2.gz GVQGHADUXFBBJZ-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000382328915 770209490 /nfs/dbraw/zinc/20/94/90/770209490.db2.gz XTVYEADGFJHEPJ-PRLABOORSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000403296315 770648412 /nfs/dbraw/zinc/64/84/12/770648412.db2.gz PCPQLRCIPLWVRV-OCCSQVGLSA-N 2 0 268.351 2.706 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723901637 770709120 /nfs/dbraw/zinc/70/91/20/770709120.db2.gz RXEMXBKPSQRIPZ-CHWSQXEVSA-N 2 0 250.361 2.551 20 0 CFADRP C(C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236371867 778795593 /nfs/dbraw/zinc/79/55/93/778795593.db2.gz NVQYBDOLMRFZCI-IRXDYDNUSA-N 3 0 293.499 2.620 20 0 CFADRP FC(F)(F)SCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692937021 769831530 /nfs/dbraw/zinc/83/15/30/769831530.db2.gz JRZSXLAHFCAJQI-LBPRGKRZSA-N 2 0 296.402 2.951 20 0 CFADRP FC(F)(F)SCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692937019 769830899 /nfs/dbraw/zinc/83/08/99/769830899.db2.gz JRZSXLAHFCAJQI-GFCCVEGCSA-N 2 0 296.402 2.951 20 0 CFADRP CC[NH+]1CCC(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001208593888 769908578 /nfs/dbraw/zinc/90/85/78/769908578.db2.gz JUCGSQZWKVYXKT-HZPDHXFCSA-N 2 0 278.440 2.552 20 0 CFADRP CCC[NH+]1C[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2C1 ZINC001208695768 769927376 /nfs/dbraw/zinc/92/73/76/769927376.db2.gz GVJJQJJWIKSALE-HZPDHXFCSA-N 2 0 250.430 2.840 20 0 CFADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H]1C[C@@H]1C ZINC001209422224 770074033 /nfs/dbraw/zinc/07/40/33/770074033.db2.gz UEIXVSIDIKHKEO-DLBZAZTESA-N 2 0 283.504 2.628 20 0 CFADRP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc1C ZINC001140159901 770220135 /nfs/dbraw/zinc/22/01/35/770220135.db2.gz BRWMXHIFYXTEIR-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210473219 770292092 /nfs/dbraw/zinc/29/20/92/770292092.db2.gz BUIONMBPMLTGCK-INIZCTEOSA-N 2 0 298.471 2.964 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160927204 770575784 /nfs/dbraw/zinc/57/57/84/770575784.db2.gz ILSFYDHALUKRQU-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723615415 770618245 /nfs/dbraw/zinc/61/82/45/770618245.db2.gz PHQAFAPLYFYMSU-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723643794 770636495 /nfs/dbraw/zinc/63/64/95/770636495.db2.gz KZBSMQGCSGVJDD-QAXWGOSPSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723643796 770636545 /nfs/dbraw/zinc/63/65/45/770636545.db2.gz KZBSMQGCSGVJDD-UWEUSHKOSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000723692007 770650668 /nfs/dbraw/zinc/65/06/68/770650668.db2.gz WXLFRLMKWFXYGA-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691544 770650983 /nfs/dbraw/zinc/65/09/83/770650983.db2.gz PVVPBKMRZGGQJJ-MNOVXSKESA-N 2 0 254.324 2.697 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691107 770651197 /nfs/dbraw/zinc/65/11/97/770651197.db2.gz HRWHQOKRKYYOKA-MNOVXSKESA-N 2 0 254.324 2.697 20 0 CFADRP CS[C@H]1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707300513 770654952 /nfs/dbraw/zinc/65/49/52/770654952.db2.gz GOBWXVWYTGKLIF-ZKXZWOTCSA-N 2 0 268.470 2.733 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000723878975 770702700 /nfs/dbraw/zinc/70/27/00/770702700.db2.gz IDKSJWFMSVZOKC-KRWDZBQOSA-N 2 0 273.424 2.662 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723885749 770706616 /nfs/dbraw/zinc/70/66/16/770706616.db2.gz AIOFHZVWCVDBHQ-TZMCWYRMSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901921 770710975 /nfs/dbraw/zinc/71/09/75/770710975.db2.gz TWOUJTBPKMMKEJ-MBNYWOFBSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1CC[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000399178818 770720542 /nfs/dbraw/zinc/72/05/42/770720542.db2.gz KTDCCMYZNQQBKY-BPQIPLTHSA-N 2 0 287.451 2.554 20 0 CFADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCCC1 ZINC001207260750 770853248 /nfs/dbraw/zinc/85/32/48/770853248.db2.gz XXQQSKZQNVAEJY-MSOLQXFVSA-N 2 0 293.499 2.667 20 0 CFADRP c1ccc(C[NH+]2CCC(C[N@@H+]3CCCOCC3)CC2)cc1 ZINC001207286050 770905438 /nfs/dbraw/zinc/90/54/38/770905438.db2.gz CRUUWPBUODPSMK-UHFFFAOYSA-N 2 0 288.435 2.621 20 0 CFADRP [NH3+]Cc1cccn1-c1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001167595520 770958926 /nfs/dbraw/zinc/95/89/26/770958926.db2.gz BXMJXLJYGMDJQY-UHFFFAOYSA-N 2 0 273.355 2.671 20 0 CFADRP c1ccc2c(c1)NC[C@H]1C[N@@H+](CC[C@H]3CCCC[NH2+]3)C[C@H]21 ZINC001224118900 775105308 /nfs/dbraw/zinc/10/53/08/775105308.db2.gz MDEDLZPWZZIGJZ-UXLLHSPISA-N 2 0 285.435 2.660 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2(C)CC(F)(F)C2)CC1 ZINC000720924522 775184226 /nfs/dbraw/zinc/18/42/26/775184226.db2.gz WMGOYMKHKGHVAW-UHFFFAOYSA-N 2 0 260.372 2.884 20 0 CFADRP CSCCCCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405403601 775208483 /nfs/dbraw/zinc/20/84/83/775208483.db2.gz KYGMLTJGYJHDFD-QWHCGFSZSA-N 2 0 256.459 2.769 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721562700 775234358 /nfs/dbraw/zinc/23/43/58/775234358.db2.gz VUBFBQYPAWJWOC-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000725111057 775275313 /nfs/dbraw/zinc/27/53/13/775275313.db2.gz KGQWYKSSSNHAQF-INIZCTEOSA-N 2 0 278.465 2.981 20 0 CFADRP C[N@@H+]1CCC[C@H]1COC1CC[NH+](Cc2ccccc2)CC1 ZINC001224817958 775281472 /nfs/dbraw/zinc/28/14/72/775281472.db2.gz FAVYPVJOKGNUEM-KRWDZBQOSA-N 2 0 288.435 2.762 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCCCC[NH+](C)C ZINC001225002575 775330003 /nfs/dbraw/zinc/33/00/03/775330003.db2.gz VXFQJOMLPSYFBQ-WMZOPIPTSA-N 2 0 290.451 2.865 20 0 CFADRP CC[N@@H+](Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC001207398751 775355888 /nfs/dbraw/zinc/35/58/88/775355888.db2.gz MQKLHFQXUGNGGE-UHFFFAOYSA-N 2 0 264.388 2.989 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3coc4ccccc34)C[C@@H]2C1 ZINC001140783073 775474532 /nfs/dbraw/zinc/47/45/32/775474532.db2.gz IOVKKNWGNUFGCB-KGLIPLIRSA-N 2 0 270.376 2.816 20 0 CFADRP [NH3+]Cc1nn(-c2ccc([C@H]3CCC[NH2+]3)cc2)c2ccccc12 ZINC001167697936 775527596 /nfs/dbraw/zinc/52/75/96/775527596.db2.gz ISDUSLOBSFPCBZ-MRXNPFEDSA-N 2 0 292.386 2.909 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cccc(C[NH+](C)C)n2)cc1 ZINC001204626165 775562168 /nfs/dbraw/zinc/56/21/68/775562168.db2.gz WONWNZIJBCKDSO-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C12CCC2 ZINC000925518570 775841840 /nfs/dbraw/zinc/84/18/40/775841840.db2.gz RMONWKLXTFZZLM-DGADGQDISA-N 2 0 292.467 2.700 20 0 CFADRP C[NH+](C)CC[C@@H](Oc1cc[nH+]c(N)c1)c1ccccc1 ZINC001226656621 775907140 /nfs/dbraw/zinc/90/71/40/775907140.db2.gz MGNQUUIMUSZKOD-OAHLLOKOSA-N 2 0 271.364 2.736 20 0 CFADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC2(CC2)CC1 ZINC000695715610 775959427 /nfs/dbraw/zinc/95/94/27/775959427.db2.gz FTNAXTMFCKYFQC-RFBLXINOSA-N 2 0 260.425 2.543 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000695821236 776030991 /nfs/dbraw/zinc/03/09/91/776030991.db2.gz FHCIAYDJQLVTDV-VBNZEHGJSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(N(C)C)cn1 ZINC001167754044 776088541 /nfs/dbraw/zinc/08/85/41/776088541.db2.gz UAHVQSPLRZVNDD-CQSZACIVSA-N 2 0 276.428 2.824 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccccc1CC[NH3+] ZINC001167754572 776091301 /nfs/dbraw/zinc/09/13/01/776091301.db2.gz ZJPSFKMPJKXKNT-OAHLLOKOSA-N 2 0 275.440 2.864 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000194011267 776136998 /nfs/dbraw/zinc/13/69/98/776136998.db2.gz FVKKMGIIXLKTEU-MRXNPFEDSA-N 2 0 266.429 2.733 20 0 CFADRP C[NH+](C)CC[C@@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC001222504152 776159970 /nfs/dbraw/zinc/15/99/70/776159970.db2.gz NZEANQGRPIRYQV-QGZVFWFLSA-N 2 0 276.424 2.790 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2)C1CCCCC1 ZINC000925715273 776221133 /nfs/dbraw/zinc/22/11/33/776221133.db2.gz FRCTXQRZISNVSG-CMZRPVNOSA-N 2 0 280.456 2.545 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422765964 776327684 /nfs/dbraw/zinc/32/76/84/776327684.db2.gz WQTHLRDDMXPHGL-JWBIGWHFSA-N 2 0 250.430 2.918 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000125565788 776354081 /nfs/dbraw/zinc/35/40/81/776354081.db2.gz SQQSUJBTQYZCNL-GFCCVEGCSA-N 2 0 288.313 2.756 20 0 CFADRP Clc1ncccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692872078 776466754 /nfs/dbraw/zinc/46/67/54/776466754.db2.gz IGCANOBPVACYRG-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C)[NH+](CC)CC ZINC001228559693 776522003 /nfs/dbraw/zinc/52/20/03/776522003.db2.gz XPXZMCJVGMPGDM-OAGGEKHMSA-N 2 0 297.487 2.532 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC001167826831 776547403 /nfs/dbraw/zinc/54/74/03/776547403.db2.gz RKZXQHZALBGZHS-JKSUJKDBSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)C1CCN(C)CC1 ZINC001167826566 776548263 /nfs/dbraw/zinc/54/82/63/776548263.db2.gz QFFMDMZKCIFCIS-MRXNPFEDSA-N 2 0 283.504 2.913 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785419 776553517 /nfs/dbraw/zinc/55/35/17/776553517.db2.gz NIFUHHZCQBWHRW-CWAQJACASA-N 2 0 288.435 2.632 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1Cc2ccncc2C1 ZINC001167828090 776554410 /nfs/dbraw/zinc/55/44/10/776554410.db2.gz ZQRAKXYXRHFBQO-AWEZNQCLSA-N 2 0 261.413 2.908 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722387429 776568195 /nfs/dbraw/zinc/56/81/95/776568195.db2.gz OYOITPDSIXYNLD-AAEUAGOBSA-N 2 0 267.442 2.873 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001167833962 776572114 /nfs/dbraw/zinc/57/21/14/776572114.db2.gz GOFCOBJXYGNAKE-XUWVNRHRSA-N 2 0 296.455 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)CCn1ccnc1 ZINC001167842489 776613383 /nfs/dbraw/zinc/61/33/83/776613383.db2.gz YCJLWAUMQZWYGV-INIZCTEOSA-N 2 0 280.460 2.716 20 0 CFADRP C[N@@H+]1CCc2cc(O[C@H]3CCC[NH+](C)CC3)ccc2C1 ZINC001228937262 776662677 /nfs/dbraw/zinc/66/26/77/776662677.db2.gz XIMGAXKOKQTOOQ-INIZCTEOSA-N 2 0 274.408 2.538 20 0 CFADRP Cc1ccc(-c2ccnc(NC(=[NH2+])NCCCC[NH3+])c2)cc1 ZINC001167877660 776712354 /nfs/dbraw/zinc/71/23/54/776712354.db2.gz IXMJTEFRDARXEM-UHFFFAOYSA-N 2 0 297.406 2.732 20 0 CFADRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167911657 776832660 /nfs/dbraw/zinc/83/26/60/776832660.db2.gz CLCYRZNYRFRBIR-QMCVQRASSA-N 2 0 258.409 2.882 20 0 CFADRP COc1ccc(NC(=[NH2+])SCC[NH3+])cc1C(C)C ZINC001167915345 776852347 /nfs/dbraw/zinc/85/23/47/776852347.db2.gz GSXHCPTYWWFNNU-UHFFFAOYSA-N 2 0 267.398 2.857 20 0 CFADRP C[C@@H](c1cccc(OC2CC[NH+](C)CC2)c1)[NH+](C)C ZINC001229628861 776860455 /nfs/dbraw/zinc/86/04/55/776860455.db2.gz XHQLMHNRSNBFAG-ZDUSSCGKSA-N 2 0 262.397 2.782 20 0 CFADRP CC[N@@H+]1CCC[C@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229702263 776876292 /nfs/dbraw/zinc/87/62/92/776876292.db2.gz ROBSWDZXIHKTPS-HNNXBMFYSA-N 2 0 262.397 2.611 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000338324225 776953540 /nfs/dbraw/zinc/95/35/40/776953540.db2.gz OQSCJKWSDZHNPR-SJORKVTESA-N 2 0 288.435 2.844 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000721545692 777001209 /nfs/dbraw/zinc/00/12/09/777001209.db2.gz YMBNNPVTIHEFGN-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP FC[C@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC000711410061 777202232 /nfs/dbraw/zinc/20/22/32/777202232.db2.gz QISTVJPHNHFFNI-CQSZACIVSA-N 2 0 256.409 2.980 20 0 CFADRP Cc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961446 777318703 /nfs/dbraw/zinc/31/87/03/777318703.db2.gz KVDPAINGCWONCD-AYHJJNSGSA-N 2 0 285.435 2.885 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2c1cccc2OC ZINC001231897876 777372667 /nfs/dbraw/zinc/37/26/67/777372667.db2.gz UXLXJPGRZBYNTE-UHFFFAOYSA-N 2 0 289.423 2.950 20 0 CFADRP Cc1nc(C2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)no1 ZINC001232014900 777412091 /nfs/dbraw/zinc/41/20/91/777412091.db2.gz XBVXFVHRKKQOTL-UHFFFAOYSA-N 2 0 297.362 2.634 20 0 CFADRP C[C@@]1(CO)CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012320 777412432 /nfs/dbraw/zinc/41/24/32/777412432.db2.gz YPNLRZLQTXUBBK-MRXNPFEDSA-N 2 0 273.380 2.547 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1C[C@]13CCCOC3)C2 ZINC001167977837 777446618 /nfs/dbraw/zinc/44/66/18/777446618.db2.gz GFIDUWDOQXQZST-KKGYMGPXSA-N 2 0 290.451 2.551 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001232143985 777449210 /nfs/dbraw/zinc/44/92/10/777449210.db2.gz FTXKZQOMKBEPFZ-UHFFFAOYSA-N 2 0 262.372 2.873 20 0 CFADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cncc(C4CC4)c3)C[C@H]2CC1 ZINC001277624410 777461629 /nfs/dbraw/zinc/46/16/29/777461629.db2.gz BWOMAPAYXCTFFX-CALCHBBNSA-N 2 0 285.435 2.733 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccnc(C(F)(F)F)c1)CC2 ZINC001232240903 777488135 /nfs/dbraw/zinc/48/81/35/777488135.db2.gz VIXNCLKNGUUJCK-UHFFFAOYSA-N 2 0 299.340 2.628 20 0 CFADRP CC[C@@]12C[C@@H](CO1)[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167994451 777528151 /nfs/dbraw/zinc/52/81/51/777528151.db2.gz FBJSZSIMVILDCS-MPBYHJMHSA-N 2 0 290.451 2.645 20 0 CFADRP C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@@H]1CCCOC1 ZINC001168001964 777560800 /nfs/dbraw/zinc/56/08/00/777560800.db2.gz LMJREQNUEPRIPF-LVYZTWJOSA-N 2 0 278.440 2.503 20 0 CFADRP C[C@H]1CC(n2nccc2C[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005399 777577394 /nfs/dbraw/zinc/57/73/94/777577394.db2.gz IMAQFUYYHUPDJP-GJZGRUSLSA-N 2 0 298.434 2.956 20 0 CFADRP Cc1cccc(F)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001232484737 777578651 /nfs/dbraw/zinc/57/86/51/777578651.db2.gz LGLYCARFKNURPD-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CNc1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232672996 777636666 /nfs/dbraw/zinc/63/66/66/777636666.db2.gz OZIGRSACCPLQKX-UHFFFAOYSA-N 2 0 273.424 2.646 20 0 CFADRP C[C@H]1CC([NH2+]C2(CO)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015229 777648801 /nfs/dbraw/zinc/64/88/01/777648801.db2.gz PTCWQFUIOGEQII-GJZGRUSLSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168017979 777666653 /nfs/dbraw/zinc/66/66/53/777666653.db2.gz YITREAWGKNYCPH-CYGHRXIMSA-N 2 0 288.435 2.807 20 0 CFADRP C[C@@H]1CC(NC2CC([NH3+])C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024744 777710992 /nfs/dbraw/zinc/71/09/92/777710992.db2.gz IMVBGDKOTWSTPS-PYORFJLXSA-N 2 0 287.451 2.507 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2C1 ZINC001232983597 777750984 /nfs/dbraw/zinc/75/09/84/777750984.db2.gz ZBDNEDJKBKPAFP-MSOLQXFVSA-N 2 0 270.420 2.948 20 0 CFADRP C[C@H]1CC(NC2(C[NH3+])CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168035024 777752808 /nfs/dbraw/zinc/75/28/08/777752808.db2.gz SDYWOZXIKQCZMS-GJZGRUSLSA-N 2 0 287.451 2.509 20 0 CFADRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2C1 ZINC001232987404 777753901 /nfs/dbraw/zinc/75/39/01/777753901.db2.gz VZOZNADBIVOZEK-ROUUACIJSA-N 2 0 270.420 2.948 20 0 CFADRP CC(C)(C)OC1CC([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000341627204 777879380 /nfs/dbraw/zinc/87/93/80/777879380.db2.gz PRXBDDYCYLKVBZ-FHERZECASA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC(N)(c3ccccc3F)CC2)CCO1 ZINC001168092972 778025304 /nfs/dbraw/zinc/02/53/04/778025304.db2.gz KBSMDELIGNZSJI-ZIAGYGMSSA-N 2 0 292.398 2.643 20 0 CFADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@H](C)C1 ZINC001168094580 778031078 /nfs/dbraw/zinc/03/10/78/778031078.db2.gz WARZKTMSZSNIET-TUVASFSCSA-N 2 0 254.418 2.534 20 0 CFADRP CC(C)[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277799087 778031603 /nfs/dbraw/zinc/03/16/03/778031603.db2.gz JITFMWQPGRNSCK-GASCZTMLSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CCO1 ZINC001168100417 778040182 /nfs/dbraw/zinc/04/01/82/778040182.db2.gz CEXBZYMNTPQWGC-JFIYKMOQSA-N 2 0 292.467 2.964 20 0 CFADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001168137080 778136338 /nfs/dbraw/zinc/13/63/38/778136338.db2.gz NAOCJXYZTAADMA-LTIDMASMSA-N 2 0 280.456 2.893 20 0 CFADRP CC1(Nc2cc(N3CCCCC3)cc[nH+]2)CC[NH2+]CC1 ZINC001168183589 778223691 /nfs/dbraw/zinc/22/36/91/778223691.db2.gz HKOLWDXWXCUGHT-UHFFFAOYSA-N 2 0 274.412 2.626 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001168188741 778232212 /nfs/dbraw/zinc/23/22/12/778232212.db2.gz NXJHFFOMWYAHIS-AEGPPILISA-N 2 0 278.827 2.764 20 0 CFADRP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccccc3)C[C@H]2CC1 ZINC001277869900 778266784 /nfs/dbraw/zinc/26/67/84/778266784.db2.gz QKVZCALZHCKTSX-CALCHBBNSA-N 2 0 288.435 2.729 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCCCCC[NH3+])C2 ZINC001168242093 778268168 /nfs/dbraw/zinc/26/81/68/778268168.db2.gz VSEGTDQQXMOCOE-MRXNPFEDSA-N 2 0 276.424 2.661 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000721251850 778294419 /nfs/dbraw/zinc/29/44/19/778294419.db2.gz CRQURDMDGDSALP-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277886963 778299349 /nfs/dbraw/zinc/29/93/49/778299349.db2.gz AIYOYXMPVCRDKY-CQSZACIVSA-N 2 0 278.440 2.694 20 0 CFADRP Cc1cccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC001234992829 778346160 /nfs/dbraw/zinc/34/61/60/778346160.db2.gz MEHZHZUDGREKNI-INIZCTEOSA-N 2 0 262.372 2.710 20 0 CFADRP Cc1c(F)cc(F)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992311 778346654 /nfs/dbraw/zinc/34/66/54/778346654.db2.gz IDUGPMKOERQVTJ-MRXNPFEDSA-N 2 0 280.362 2.849 20 0 CFADRP CCOc1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)ccc1C ZINC001234997643 778349318 /nfs/dbraw/zinc/34/93/18/778349318.db2.gz DAGLSIBHKAXJAS-GOSISDBHSA-N 2 0 288.435 2.969 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)c2ccccc12 ZINC001235024962 778356965 /nfs/dbraw/zinc/35/69/65/778356965.db2.gz USFSVCMXHLHNHW-UHFFFAOYSA-N 2 0 266.388 2.944 20 0 CFADRP CCCC[N@@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001235022104 778358293 /nfs/dbraw/zinc/35/82/93/778358293.db2.gz WUFTYBVDFYJSFX-UHFFFAOYSA-N 2 0 288.435 2.932 20 0 CFADRP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235031708 778360539 /nfs/dbraw/zinc/36/05/39/778360539.db2.gz NXPVZFUTDFUCGT-MAUKXSAKSA-N 2 0 266.388 2.942 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235030877 778360557 /nfs/dbraw/zinc/36/05/57/778360557.db2.gz HXPVISPEFMWGOS-HNNXBMFYSA-N 2 0 298.352 2.933 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235031223 778360954 /nfs/dbraw/zinc/36/09/54/778360954.db2.gz DSDPBYZDENMMCR-GOSISDBHSA-N 2 0 288.435 2.968 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H]4[NH2+]CC[C@H]43)cc21 ZINC001235082364 778374320 /nfs/dbraw/zinc/37/43/20/778374320.db2.gz SSQLVNUQXHPPMZ-QZTJIDSGSA-N 2 0 297.446 2.624 20 0 CFADRP C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235087033 778375126 /nfs/dbraw/zinc/37/51/26/778375126.db2.gz UODXJEOXVRPIJL-GOEBONIOSA-N 2 0 270.420 2.779 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(N4CCCC4)c3)C[C@@H]2C1 ZINC001235088536 778375246 /nfs/dbraw/zinc/37/52/46/778375246.db2.gz WPOBHPGRGZCHRO-MSOLQXFVSA-N 2 0 299.462 2.670 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@@H+](C1CC1)Cc1ccccc12 ZINC001277921946 778379557 /nfs/dbraw/zinc/37/95/57/778379557.db2.gz IHPNHDNAYSLCKO-UHFFFAOYSA-N 2 0 256.393 2.628 20 0 CFADRP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235186280 778405459 /nfs/dbraw/zinc/40/54/59/778405459.db2.gz GQJPZQRLCYCDBD-AIANPOQGSA-N 2 0 290.838 2.985 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235186249 778405554 /nfs/dbraw/zinc/40/55/54/778405554.db2.gz GHHCEXRPUXVXOZ-KGLIPLIRSA-N 2 0 298.352 2.789 20 0 CFADRP C(C[NH2+]C1CCCCC1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001235187410 778406509 /nfs/dbraw/zinc/40/65/09/778406509.db2.gz XKVMWTLXKQAATR-KRWDZBQOSA-N 2 0 280.456 2.801 20 0 CFADRP CCCC[N@H+](C)CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294978 778410489 /nfs/dbraw/zinc/41/04/89/778410489.db2.gz LXVPDVLCKFEEAZ-UHFFFAOYSA-N 3 0 269.477 2.571 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCC(=O)c2ccccc2)CC1 ZINC001168298803 778412573 /nfs/dbraw/zinc/41/25/73/778412573.db2.gz CZERTZMJWZDMQW-UHFFFAOYSA-N 2 0 274.408 2.722 20 0 CFADRP Cc1csc2sc(C[N@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c(C)c12 ZINC001235210978 778416976 /nfs/dbraw/zinc/41/69/76/778416976.db2.gz SGXSPNQOCFZSPA-IWIIMEHWSA-N 2 0 278.446 2.969 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2CC[NH+](C3CCC3)CC2)CC1 ZINC001168304872 778418755 /nfs/dbraw/zinc/41/87/55/778418755.db2.gz GHIQELATJZOASI-UHFFFAOYSA-N 3 0 293.499 2.713 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168305574 778419529 /nfs/dbraw/zinc/41/95/29/778419529.db2.gz NSSQWHRESMRDQR-IUDNXUCKSA-N 2 0 276.424 2.786 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3CCC[C@H]3C1)CC[NH2+]C2 ZINC001235223914 778420968 /nfs/dbraw/zinc/42/09/68/778420968.db2.gz GJWASBHBHXESEF-QAPCUYQASA-N 2 0 270.420 2.954 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1)c1ccccc1 ZINC001235225459 778421915 /nfs/dbraw/zinc/42/19/15/778421915.db2.gz UOGHRJXIUHTOSF-QEJZJMRPSA-N 2 0 298.352 2.874 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235228119 778422126 /nfs/dbraw/zinc/42/21/26/778422126.db2.gz IFFKEMYSYZNWPE-MRXNPFEDSA-N 2 0 277.412 2.646 20 0 CFADRP c1cn2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)ccc2n1 ZINC001235226333 778422133 /nfs/dbraw/zinc/42/21/33/778422133.db2.gz CLIKFJFDLUYZND-QGZVFWFLSA-N 2 0 298.434 2.688 20 0 CFADRP c1[nH]nc2ccc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)cc12 ZINC001235226599 778422175 /nfs/dbraw/zinc/42/21/75/778422175.db2.gz CTYJOPBFYRDDEL-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP Cc1cnc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235227962 778422188 /nfs/dbraw/zinc/42/21/88/778422188.db2.gz KOTRZILJHBFGPD-AWEZNQCLSA-N 2 0 279.453 2.806 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230771 778422644 /nfs/dbraw/zinc/42/26/44/778422644.db2.gz QPTOFQNUUDTBHS-QGZVFWFLSA-N 2 0 290.455 2.818 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3ccccc3C2=O)CC1 ZINC001168312075 778423258 /nfs/dbraw/zinc/42/32/58/778423258.db2.gz JDYIAILVUGFPTE-DQPZFDDXSA-N 2 0 286.419 2.647 20 0 CFADRP Cn1ncc2c1cccc2C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312216 778423406 /nfs/dbraw/zinc/42/34/06/778423406.db2.gz LNZNWGFXVYAGBW-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP [NH3+][C@H](CN1CCC([C@@H]2CCCC[NH2+]2)CC1)c1ccccc1 ZINC001235234251 778423637 /nfs/dbraw/zinc/42/36/37/778423637.db2.gz WXZIJHYJKVVPDX-MSOLQXFVSA-N 2 0 287.451 2.541 20 0 CFADRP Cc1cnccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232226 778423855 /nfs/dbraw/zinc/42/38/55/778423855.db2.gz WMBXNNVXUFJELG-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP CS[C@@H](C)CC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233184 778424011 /nfs/dbraw/zinc/42/40/11/778424011.db2.gz OONHPYIMUYSQCB-ZFWWWQNUSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[NH+]1CC(Nc2cc(C[NH+]3CCCCC3)ccn2)C1 ZINC001168313313 778425109 /nfs/dbraw/zinc/42/51/09/778425109.db2.gz SPNDJMBSKLCFNT-UHFFFAOYSA-N 2 0 288.439 2.572 20 0 CFADRP c1cn2c(cccc2C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235238747 778426543 /nfs/dbraw/zinc/42/65/43/778426543.db2.gz IBACAFRVQHPWHF-KRWDZBQOSA-N 2 0 298.434 2.688 20 0 CFADRP Nc1c(F)cccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237579 778426646 /nfs/dbraw/zinc/42/66/46/778426646.db2.gz LUWVYNYGYANXKT-INIZCTEOSA-N 2 0 291.414 2.762 20 0 CFADRP Nc1ccccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237792 778426701 /nfs/dbraw/zinc/42/67/01/778426701.db2.gz MMSIQWXCMAKNAO-KRWDZBQOSA-N 2 0 273.424 2.623 20 0 CFADRP Cc1ccc2[nH]cc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)c2c1 ZINC001235238873 778427208 /nfs/dbraw/zinc/42/72/08/778427208.db2.gz CDGSZRUSRXMLOF-RHSMWYFYSA-N 2 0 269.392 2.790 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc(F)c(C[NH+]3CCCC3)c2)C1 ZINC001168317964 778429268 /nfs/dbraw/zinc/42/92/68/778429268.db2.gz WTXVHXWRVLNGLB-UHFFFAOYSA-N 2 0 291.414 2.926 20 0 CFADRP CCOc1ccc(C)c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235248129 778431065 /nfs/dbraw/zinc/43/10/65/778431065.db2.gz OBGCXSVCRHREDA-NVXWUHKLSA-N 2 0 274.408 2.707 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235253923 778433219 /nfs/dbraw/zinc/43/32/19/778433219.db2.gz GGOSXTZVXAZRSJ-DZGCQCFKSA-N 2 0 298.352 2.932 20 0 CFADRP CC[N@H+](CC(=O)OC(C)(C)C)C1CCC([NH+](C)C)CC1 ZINC001168328141 778434186 /nfs/dbraw/zinc/43/41/86/778434186.db2.gz XDGBHZREPNBEQW-UHFFFAOYSA-N 2 0 284.444 2.523 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235255286 778434842 /nfs/dbraw/zinc/43/48/42/778434842.db2.gz MFJKGIYZLWMAHB-ZBFHGGJFSA-N 2 0 278.827 2.956 20 0 CFADRP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)ccc21 ZINC001235285541 778443881 /nfs/dbraw/zinc/44/38/81/778443881.db2.gz TXOHSSMUPFPTOM-HGKCTWBKSA-N 2 0 291.398 2.720 20 0 CFADRP CCCC[N@H+](C)CCCNC1CC[NH+](CC2CC2)CC1 ZINC001168353080 778447071 /nfs/dbraw/zinc/44/70/71/778447071.db2.gz JPQRKMUHVPEMNZ-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CC1=C[C@H](C)[C@H](C[NH+]2CCC(C3C[NH2+]C3)CC2)CC1 ZINC001235336218 778459097 /nfs/dbraw/zinc/45/90/97/778459097.db2.gz UHZYNHNHPGSUQG-HOCLYGCPSA-N 2 0 262.441 2.910 20 0 CFADRP CCCCOc1cccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235339162 778459293 /nfs/dbraw/zinc/45/92/93/778459293.db2.gz DQWDLOBJNZHEEO-INIZCTEOSA-N 2 0 288.435 2.907 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCC2(COC2)CC1 ZINC001168357571 778460821 /nfs/dbraw/zinc/46/08/21/778460821.db2.gz GZXNGRODRPGNGT-UHFFFAOYSA-N 2 0 292.467 2.657 20 0 CFADRP Cc1c(Cl)ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1C ZINC001235342108 778461563 /nfs/dbraw/zinc/46/15/63/778461563.db2.gz SRMZIYFLHHPZJJ-CQSZACIVSA-N 2 0 278.827 2.998 20 0 CFADRP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@@H+](CC2CCC2)C3)cc1 ZINC001235348176 778465294 /nfs/dbraw/zinc/46/52/94/778465294.db2.gz CABPTQPGRKGWPS-QZTJIDSGSA-N 2 0 270.420 2.866 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)CC(C)(C)C ZINC001235369498 778470660 /nfs/dbraw/zinc/47/06/60/778470660.db2.gz RNAAZNFWPOXKHI-KYHPRHEASA-N 2 0 294.483 2.902 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000721254857 778475442 /nfs/dbraw/zinc/47/54/42/778475442.db2.gz OBLLOFKFNLTJSQ-JKSUJKDBSA-N 2 0 268.445 2.797 20 0 CFADRP c1ccc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)nc1 ZINC001168359876 778476394 /nfs/dbraw/zinc/47/63/94/778476394.db2.gz GEUNCYHYSOQGAB-UHFFFAOYSA-N 2 0 285.435 2.577 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](CC1CCCCC1)C2 ZINC001235405467 778477527 /nfs/dbraw/zinc/47/75/27/778477527.db2.gz PAHNRFNBHXRVFJ-HUUCEWRRSA-N 2 0 254.393 2.590 20 0 CFADRP Nc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235421490 778485387 /nfs/dbraw/zinc/48/53/87/778485387.db2.gz CJYXWCSXRFEAQE-UONOGXRCSA-N 2 0 291.414 2.620 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c1)CCN2 ZINC001235420782 778486180 /nfs/dbraw/zinc/48/61/80/778486180.db2.gz BCPQKTAFCIEQAG-HZPDHXFCSA-N 2 0 299.462 2.866 20 0 CFADRP Cc1cc(O)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425319 778487056 /nfs/dbraw/zinc/48/70/56/778487056.db2.gz JEGGXJPXODIFFD-DLBZAZTESA-N 2 0 288.435 2.912 20 0 CFADRP Cc1cc(O)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425321 778487219 /nfs/dbraw/zinc/48/72/19/778487219.db2.gz JEGGXJPXODIFFD-IAGOWNOFSA-N 2 0 288.435 2.912 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1O ZINC001235431048 778487323 /nfs/dbraw/zinc/48/73/23/778487323.db2.gz UDIOOXWZPWPCOZ-IRXDYDNUSA-N 2 0 288.435 2.912 20 0 CFADRP CCN1CCc2ccc(C[N@H+](C)CC3CC[NH2+]CC3)cc21 ZINC001235433543 778487848 /nfs/dbraw/zinc/48/78/48/778487848.db2.gz YXOBUMYQAVFKFT-UHFFFAOYSA-N 2 0 287.451 2.500 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001235443637 778492082 /nfs/dbraw/zinc/49/20/82/778492082.db2.gz OOLQHUGDRNPQOY-UHFFFAOYSA-N 2 0 286.375 2.965 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc2occ(Br)c2c1 ZINC001235445880 778492654 /nfs/dbraw/zinc/49/26/54/778492654.db2.gz VIUOMIOJPCTBFU-UHFFFAOYSA-N 2 0 297.196 2.976 20 0 CFADRP Cc1ccc2c(c1)C1(CC2)CCN(C[C@H](C)[NH3+])CC1 ZINC001235607437 778521701 /nfs/dbraw/zinc/52/17/01/778521701.db2.gz NMTAEACZSKGJJT-AWEZNQCLSA-N 2 0 258.409 2.622 20 0 CFADRP Cc1ccccc1O[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235673858 778531502 /nfs/dbraw/zinc/53/15/02/778531502.db2.gz ILKDVIZASNZADI-SJORKVTESA-N 2 0 288.435 2.838 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001235677272 778534502 /nfs/dbraw/zinc/53/45/02/778534502.db2.gz APIUHFPANXVNOW-HOCLYGCPSA-N 2 0 250.430 2.910 20 0 CFADRP CCOc1cc(C)ccc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC001235680236 778534619 /nfs/dbraw/zinc/53/46/19/778534619.db2.gz SBYUXXLTVKDPHK-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP FC1(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]CC1 ZINC001235693156 778538950 /nfs/dbraw/zinc/53/89/50/778538950.db2.gz SZQHURGAQJAUEH-INIZCTEOSA-N 2 0 292.398 2.622 20 0 CFADRP FC1(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]CC1 ZINC001235693157 778539737 /nfs/dbraw/zinc/53/97/37/778539737.db2.gz SZQHURGAQJAUEH-MRXNPFEDSA-N 2 0 292.398 2.622 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c(C)c1 ZINC001235711992 778544913 /nfs/dbraw/zinc/54/49/13/778544913.db2.gz XJVBFWALIGBQQR-UHFFFAOYSA-N 2 0 258.409 2.797 20 0 CFADRP FC1(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235714942 778546164 /nfs/dbraw/zinc/54/61/64/778546164.db2.gz MZYKHXCQBHNROL-MRXNPFEDSA-N 2 0 276.399 2.643 20 0 CFADRP CCN(CCC[NH2+]C1CCCCC1)CC[NH+]1CCCC1 ZINC001235718468 778546507 /nfs/dbraw/zinc/54/65/07/778546507.db2.gz IMGFAVOHJITKFM-UHFFFAOYSA-N 2 0 281.488 2.717 20 0 CFADRP COc1ccc(C)c(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717567 778547159 /nfs/dbraw/zinc/54/71/59/778547159.db2.gz KKFQZCJEDWNJJI-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP c1cc2c(s1)C[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235718675 778547253 /nfs/dbraw/zinc/54/72/53/778547253.db2.gz LGPJSSVIUMMLCK-UHFFFAOYSA-N 2 0 284.428 2.952 20 0 CFADRP COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235827010 778570150 /nfs/dbraw/zinc/57/01/50/778570150.db2.gz GRQSUWGIRPLLKC-QGZVFWFLSA-N 2 0 288.435 2.722 20 0 CFADRP CC1(C)N[C@@H](CC[N@@H+]2CCCc3ccccc3C2)CO1 ZINC001235833036 778573105 /nfs/dbraw/zinc/57/31/05/778573105.db2.gz ATQBCJAMHQTSND-INIZCTEOSA-N 2 0 274.408 2.549 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1CC ZINC001235843099 778577506 /nfs/dbraw/zinc/57/75/06/778577506.db2.gz VSABYTJPLXCFHE-HNNXBMFYSA-N 2 0 276.424 2.689 20 0 CFADRP CC[C@@H]([NH3+])CN1CCC(Cc2ccc(F)cc2)CC1 ZINC001235863713 778584216 /nfs/dbraw/zinc/58/42/16/778584216.db2.gz HZYMNZQCXKBKHL-MRXNPFEDSA-N 2 0 264.388 2.818 20 0 CFADRP Fc1ccc(CC2CC[NH+](CCC3C[NH2+]C3)CC2)cc1 ZINC001235863018 778584656 /nfs/dbraw/zinc/58/46/56/778584656.db2.gz AMMOHSFSXPMMIZ-UHFFFAOYSA-N 2 0 276.399 2.690 20 0 CFADRP c1cc2n(c1C[N@@H+]1CCC[C@H]3CCCC[C@H]31)CC[NH2+]C2 ZINC001235867325 778585322 /nfs/dbraw/zinc/58/53/22/778585322.db2.gz OMLFAFCWGFFZOV-RHSMWYFYSA-N 2 0 273.424 2.746 20 0 CFADRP CC(C)=CCCC1=CC[C@@H](CN(CC[NH3+])CC[NH3+])CC1 ZINC001235876683 778587713 /nfs/dbraw/zinc/58/77/13/778587713.db2.gz HMWARPBJJUGFBQ-QGZVFWFLSA-N 2 0 279.472 2.679 20 0 CFADRP CC[C@@H]([NH3+])CN1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001235882529 778589622 /nfs/dbraw/zinc/58/96/22/778589622.db2.gz MWXLZYUJFMMBDL-TZMCWYRMSA-N 2 0 297.240 2.976 20 0 CFADRP Cc1cc(F)cc(C)c1CN1C[C@H]([NH3+])CC[C@@H]1C ZINC001235893359 778594051 /nfs/dbraw/zinc/59/40/51/778594051.db2.gz RWMIUYQHXUWAJJ-GXTWGEPZSA-N 2 0 250.361 2.754 20 0 CFADRP CCn1ccc2c1cccc2CN1C[C@H]([NH3+])CC[C@@H]1C ZINC001235906872 778604704 /nfs/dbraw/zinc/60/47/04/778604704.db2.gz PCYLHRINLHWMTO-DZGCQCFKSA-N 2 0 271.408 2.973 20 0 CFADRP Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235934589 778615507 /nfs/dbraw/zinc/61/55/07/778615507.db2.gz BVBCQFOYLLNMQF-JSGCOSHPSA-N 2 0 264.800 2.690 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(CC)c1O ZINC001235937903 778618415 /nfs/dbraw/zinc/61/84/15/778618415.db2.gz JOIURFNGSNBLKT-SJORKVTESA-N 2 0 288.435 2.558 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235942039 778619457 /nfs/dbraw/zinc/61/94/57/778619457.db2.gz XUDIUDBPBVQTLW-SJORKVTESA-N 2 0 258.409 2.680 20 0 CFADRP CCN1CCc2ccc(C[N@H+](C)C[C@H]3CCC[NH2+]C3)cc21 ZINC001235959984 778627914 /nfs/dbraw/zinc/62/79/14/778627914.db2.gz QSZUEZOJWURXKG-INIZCTEOSA-N 2 0 287.451 2.500 20 0 CFADRP CCC(CC)[N@H+](C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235959284 778628371 /nfs/dbraw/zinc/62/83/71/778628371.db2.gz GKHUCESEIJJPNZ-UHFFFAOYSA-N 2 0 275.440 2.717 20 0 CFADRP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)C[C@@H]1CC1(C)C ZINC001235959094 778628448 /nfs/dbraw/zinc/62/84/48/778628448.db2.gz SEDLQDRRDOQUTF-LBPRGKRZSA-N 2 0 264.438 2.872 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001235959192 778628768 /nfs/dbraw/zinc/62/87/68/778628768.db2.gz HJGUZHXTZCFMOT-ALXJQNPVSA-N 2 0 281.403 2.646 20 0 CFADRP CC[N@H+](CCN1CCCCC1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235960718 778630096 /nfs/dbraw/zinc/63/00/96/778630096.db2.gz MVXNULBENJANKG-UHFFFAOYSA-N 2 0 293.499 2.574 20 0 CFADRP Clc1ccc(O[C@@H]2CCC[N@H+](CCC3C[NH2+]C3)C2)cc1 ZINC001235973112 778634399 /nfs/dbraw/zinc/63/43/99/778634399.db2.gz LDCVNNVEVQPOHQ-MRXNPFEDSA-N 2 0 294.826 2.793 20 0 CFADRP c1cncc(CC2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168369165 778638059 /nfs/dbraw/zinc/63/80/59/778638059.db2.gz YLTTWOIMUAFWCU-UHFFFAOYSA-N 2 0 299.462 2.868 20 0 CFADRP Fc1ccc(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012017 778653710 /nfs/dbraw/zinc/65/37/10/778653710.db2.gz FTBSGEWVVUFTKU-MJGOQNOKSA-N 2 0 296.389 2.799 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)s1 ZINC001236066378 778679590 /nfs/dbraw/zinc/67/95/90/778679590.db2.gz IGXHXFPZGXPSIM-GFCCVEGCSA-N 2 0 252.427 2.742 20 0 CFADRP C[C@@H](CC[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1)CC(C)(C)C ZINC001236074184 778682106 /nfs/dbraw/zinc/68/21/06/778682106.db2.gz WAGMLTQFUBDZFL-GOEBONIOSA-N 2 0 281.488 2.556 20 0 CFADRP C[C@@H](CC[N@@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1)CC(C)(C)C ZINC001236077793 778683027 /nfs/dbraw/zinc/68/30/27/778683027.db2.gz CMMBAYFUEXRHFG-DOTOQJQBSA-N 2 0 295.515 2.804 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC001236083456 778684852 /nfs/dbraw/zinc/68/48/52/778684852.db2.gz UXHWERBDFDBJLA-KRWDZBQOSA-N 2 0 281.488 2.596 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC001236092085 778687836 /nfs/dbraw/zinc/68/78/36/778687836.db2.gz GENWTEBPMBRATH-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001168372136 778692538 /nfs/dbraw/zinc/69/25/38/778692538.db2.gz UPKRQIDCEKSTPX-CRAIPNDOSA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)(O)C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001236111044 778698728 /nfs/dbraw/zinc/69/87/28/778698728.db2.gz HGSCICMMSBTGBQ-QGZVFWFLSA-N 2 0 290.451 2.792 20 0 CFADRP F[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373846 778703041 /nfs/dbraw/zinc/70/30/41/778703041.db2.gz VTIIYXXJRYQLMJ-AWEZNQCLSA-N 2 0 254.393 2.685 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cn1 ZINC001236153713 778720370 /nfs/dbraw/zinc/72/03/70/778720370.db2.gz VLNBBWYWPBCPPM-GOSISDBHSA-N 2 0 298.434 2.926 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc([C@H]3CC[NH2+]C3)cc2)cn1 ZINC001236155537 778720521 /nfs/dbraw/zinc/72/05/21/778720521.db2.gz CJWNFVWXNBKMKN-KRWDZBQOSA-N 2 0 298.434 2.579 20 0 CFADRP CC[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(C)c(C)c1 ZINC001236240267 778749148 /nfs/dbraw/zinc/74/91/48/778749148.db2.gz KKWHRENBAKSTTE-KRWDZBQOSA-N 2 0 276.424 2.504 20 0 CFADRP Fc1cc(F)c(CC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1F ZINC001236314034 778772835 /nfs/dbraw/zinc/77/28/35/778772835.db2.gz GWWUFDPHWQKWCX-BETUJISGSA-N 2 0 298.352 2.578 20 0 CFADRP Fc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314014 778773290 /nfs/dbraw/zinc/77/32/90/778773290.db2.gz FQONHUSQSKVOCW-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236314963 778773826 /nfs/dbraw/zinc/77/38/26/778773826.db2.gz JALUSKTWSVPHCV-OKILXGFUSA-N 2 0 294.826 2.780 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320247 778777339 /nfs/dbraw/zinc/77/73/39/778777339.db2.gz OAXOYPXVEMGIRH-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(N2CCCC2)c1 ZINC001236320064 778777515 /nfs/dbraw/zinc/77/75/15/778777515.db2.gz APFHEBDYDIWNNC-HDICACEKSA-N 2 0 299.462 2.718 20 0 CFADRP c1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321500 778778980 /nfs/dbraw/zinc/77/89/80/778778980.db2.gz UJZWSJJVJZNZFK-IYBDPMFKSA-N 2 0 297.402 2.773 20 0 CFADRP CC(C)(C)c1c[nH]c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321848 778779004 /nfs/dbraw/zinc/77/90/04/778779004.db2.gz QSFHZJYKWWCXHT-OKILXGFUSA-N 2 0 275.440 2.744 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1F ZINC001236321387 778779161 /nfs/dbraw/zinc/77/91/61/778779161.db2.gz QLBDSCOUUXJUGB-GASCZTMLSA-N 2 0 292.398 2.656 20 0 CFADRP C[N@H+](Cc1ccc(-c2cccc3c2CC[NH2+]C3)nc1)C1CC1 ZINC001236342314 778786223 /nfs/dbraw/zinc/78/62/23/778786223.db2.gz VARYIOGEBMSVQZ-UHFFFAOYSA-N 2 0 293.414 2.989 20 0 CFADRP [NH3+]CCCCCN(Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388166 778798015 /nfs/dbraw/zinc/79/80/15/778798015.db2.gz JWTGNIXMGQFIOL-KRWDZBQOSA-N 2 0 293.430 2.509 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cncc(C[NH+](C)C)c2)c1 ZINC001236426106 778821768 /nfs/dbraw/zinc/82/17/68/778821768.db2.gz SEYXQIXDGMYORN-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP [NH3+]Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)c1 ZINC001236433530 778826843 /nfs/dbraw/zinc/82/68/43/778826843.db2.gz JTPZQACPWDXFIX-SFHVURJKSA-N 2 0 288.435 2.926 20 0 CFADRP CC1(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)CC[NH2+]CC1 ZINC001236434465 778827885 /nfs/dbraw/zinc/82/78/85/778827885.db2.gz SDTJOOGDXYDZGC-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C(C[N@@H+]1CCOC[C@H]1C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001236434760 778828973 /nfs/dbraw/zinc/82/89/73/778828973.db2.gz VQJDPGNMRIAVFY-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)C[N@H+](Cc1cccc(N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552592 778875725 /nfs/dbraw/zinc/87/57/25/778875725.db2.gz SPKPKISBUFWIFX-JCNLHEQBSA-N 2 0 275.440 2.997 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCCCN2)C2CCCC2)CC1 ZINC001236566424 778877358 /nfs/dbraw/zinc/87/73/58/778877358.db2.gz HEHQZZGYINTHPW-BFYDXBDKSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001236567378 778878051 /nfs/dbraw/zinc/87/80/51/778878051.db2.gz UNVOVCBBZIZFAE-BFYDXBDKSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+]Cc1ccccc1C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168412652 778890179 /nfs/dbraw/zinc/89/01/79/778890179.db2.gz RXQCQBHLCOZLGU-GOSISDBHSA-N 2 0 284.378 2.932 20 0 CFADRP C[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC001236622509 778897571 /nfs/dbraw/zinc/89/75/71/778897571.db2.gz PBWJYTKCLGYPON-DOTOQJQBSA-N 2 0 288.435 2.838 20 0 CFADRP C(CN([C@@H]1CC[NH2+]C1)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC001236648388 778904206 /nfs/dbraw/zinc/90/42/06/778904206.db2.gz RDJCPAHXCAKMRX-NVXWUHKLSA-N 2 0 279.472 2.515 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000300147046 778904493 /nfs/dbraw/zinc/90/44/93/778904493.db2.gz ZTNWYMNAAIFODD-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc4ccoc43)C[C@H]2C1 ZINC001236739941 778926475 /nfs/dbraw/zinc/92/64/75/778926475.db2.gz HAFDNQYBCSKQKD-HZPDHXFCSA-N 2 0 270.376 2.816 20 0 CFADRP CN1CCC[C@H]2C[N@H+](Cc3cccc4ccoc43)C[C@H]21 ZINC001236743903 778927528 /nfs/dbraw/zinc/92/75/28/778927528.db2.gz VEIHNLCHYCLAIK-GOEBONIOSA-N 2 0 270.376 2.959 20 0 CFADRP CC[C@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742793 778927596 /nfs/dbraw/zinc/92/75/96/778927596.db2.gz SJRUTCJPHKMVNW-ULQDDVLXSA-N 3 0 293.430 2.635 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCO)CC2CCCCC2)CC1 ZINC001236755972 778928763 /nfs/dbraw/zinc/92/87/63/778928763.db2.gz TUDVVYSFWHVUPC-WKILWMFISA-N 2 0 268.445 2.521 20 0 CFADRP C[C@@H](CC[NH2+]C[C@H](O)c1cccc2ccccc21)[NH+](C)C ZINC001120583352 778929231 /nfs/dbraw/zinc/92/92/31/778929231.db2.gz VKXFPWFLRWYXJD-KSSFIOAISA-N 2 0 286.419 2.803 20 0 CFADRP CN1CCC[C@H](C[N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236769444 778930173 /nfs/dbraw/zinc/93/01/73/778930173.db2.gz VNYVVFYWYHAJKC-ULQDDVLXSA-N 2 0 295.515 2.946 20 0 CFADRP CCC[N@H+](CCc1c(F)cccc1F)C[C@@H]1CC[NH2+]C1 ZINC001236832270 778957471 /nfs/dbraw/zinc/95/74/71/778957471.db2.gz TUPKPWYCIYJAAA-CYBMUJFWSA-N 2 0 282.378 2.829 20 0 CFADRP CCCC[NH+]1CCC(N(C)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001236847194 778964961 /nfs/dbraw/zinc/96/49/61/778964961.db2.gz IDHJYHMPNWHJRH-INIZCTEOSA-N 2 0 281.488 2.715 20 0 CFADRP CCCC[NH+]1CCC(N(C)CC[C@H]2CCCC[NH2+]2)CC1 ZINC001236847196 778965209 /nfs/dbraw/zinc/96/52/09/778965209.db2.gz IDHJYHMPNWHJRH-MRXNPFEDSA-N 2 0 281.488 2.715 20 0 CFADRP CC1=C[C@H](C)[C@H](CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236925373 778983094 /nfs/dbraw/zinc/98/30/94/778983094.db2.gz XLJKKXQJHLKXOI-OKZBNKHCSA-N 2 0 293.499 2.594 20 0 CFADRP C(C[NH+]1CCC(CC2CC[NH2+]CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC001236946642 778983710 /nfs/dbraw/zinc/98/37/10/778983710.db2.gz CXFCKCHAHGEMKE-SFHVURJKSA-N 3 0 293.499 2.620 20 0 CFADRP c1ccc(CC[C@H]2CCC[N@@H+](CCC3C[NH2+]C3)C2)cc1 ZINC001236951000 778984784 /nfs/dbraw/zinc/98/47/84/778984784.db2.gz RXCDCLWKXLLKSI-QGZVFWFLSA-N 2 0 272.436 2.941 20 0 CFADRP C[N@H+]1C[C@H]2CN(Cc3ccccc3OC(C)(C)C)C[C@H]2C1 ZINC001237032867 778994804 /nfs/dbraw/zinc/99/48/04/778994804.db2.gz ZFZQXIJQJJKHLI-IYBDPMFKSA-N 2 0 288.435 2.857 20 0 CFADRP FC1(F)CN(CCC2C[NH2+]C2)CC[C@H]1Cc1ccccc1 ZINC001237040890 778995882 /nfs/dbraw/zinc/99/58/82/778995882.db2.gz CJLVJRSSTLWZKP-INIZCTEOSA-N 2 0 294.389 2.796 20 0 CFADRP FC1(F)CN(CCC2C[NH2+]C2)CC[C@@H]1Cc1ccccc1 ZINC001237040892 778996489 /nfs/dbraw/zinc/99/64/89/778996489.db2.gz CJLVJRSSTLWZKP-MRXNPFEDSA-N 2 0 294.389 2.796 20 0 CFADRP C[NH+](C)CCCN1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278049150 779004844 /nfs/dbraw/zinc/00/48/44/779004844.db2.gz GZPVGYUFMQIYRC-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP c1cc2c(c(CN(C3CCC3)[C@H]3CCC[NH2+]C3)c1)CCN2 ZINC001237154436 779028912 /nfs/dbraw/zinc/02/89/12/779028912.db2.gz BLMBJJQOPPVCAL-INIZCTEOSA-N 2 0 285.435 2.761 20 0 CFADRP CC(C)n1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001203164551 779029508 /nfs/dbraw/zinc/02/95/08/779029508.db2.gz NZYXVQDIGNJQNL-UHFFFAOYSA-N 2 0 299.422 2.959 20 0 CFADRP Cc1ccc(CC[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001278068374 779049813 /nfs/dbraw/zinc/04/98/13/779049813.db2.gz XQACZFPVDMWXHZ-UHFFFAOYSA-N 2 0 272.436 2.955 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001237249715 779061285 /nfs/dbraw/zinc/06/12/85/779061285.db2.gz RJEXLSUIXNBPRU-OAHLLOKOSA-N 2 0 250.361 2.572 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168437832 779070971 /nfs/dbraw/zinc/07/09/71/779070971.db2.gz KICHHTFHAICBKG-GOSISDBHSA-N 2 0 290.426 2.957 20 0 CFADRP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379856 779085735 /nfs/dbraw/zinc/08/57/35/779085735.db2.gz DLIVKESPVQWJCJ-CVEARBPZSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1C ZINC001237381273 779087246 /nfs/dbraw/zinc/08/72/46/779087246.db2.gz ILGLUXCDVQEKNP-IRXDYDNUSA-N 2 0 258.409 2.877 20 0 CFADRP c1cc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2[nH]1 ZINC001237383925 779088703 /nfs/dbraw/zinc/08/87/03/779088703.db2.gz SUZIZZXDTCHKSA-WBVHZDCISA-N 2 0 269.392 2.742 20 0 CFADRP COc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237383833 779089097 /nfs/dbraw/zinc/08/90/97/779089097.db2.gz RXRLBKWEWRUICG-SJLPKXTDSA-N 2 0 288.435 2.702 20 0 CFADRP Cn1ccc2c1cccc2C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237388385 779091377 /nfs/dbraw/zinc/09/13/77/779091377.db2.gz DARFJTRYTVBLIJ-RDJZCZTQSA-N 2 0 283.419 2.752 20 0 CFADRP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237393725 779095484 /nfs/dbraw/zinc/09/54/84/779095484.db2.gz SMISZHMQAAUDKX-WMLDXEAASA-N 2 0 274.408 2.583 20 0 CFADRP COc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)c1 ZINC001237405453 779098710 /nfs/dbraw/zinc/09/87/10/779098710.db2.gz QMNYJRKCCUSBME-WBVHZDCISA-N 2 0 274.408 2.578 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CCCN2 ZINC001237410798 779101605 /nfs/dbraw/zinc/10/16/05/779101605.db2.gz DEPYRAQIFXJTTF-WMZOPIPTSA-N 2 0 285.435 2.619 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3ccccn3n1)CC2 ZINC001237454581 779111940 /nfs/dbraw/zinc/11/19/40/779111940.db2.gz XACTVEIAUIHXQD-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000130180218 779113342 /nfs/dbraw/zinc/11/33/42/779113342.db2.gz DEBPSIPCEAOASA-KBRIMQKVSA-N 2 0 286.419 2.899 20 0 CFADRP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095428 779174757 /nfs/dbraw/zinc/17/47/57/779174757.db2.gz XQBUFKNCRHYHGB-CYBMUJFWSA-N 2 0 257.381 2.790 20 0 CFADRP CN(CC[NH2+]C1CCC([NH+](C)C)CC1)Cc1ccccc1 ZINC000715175265 779185949 /nfs/dbraw/zinc/18/59/49/779185949.db2.gz OGWQRDHNWQAZOT-UHFFFAOYSA-N 2 0 289.467 2.581 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3ccncc32)CC1 ZINC001205110102 779233832 /nfs/dbraw/zinc/23/38/32/779233832.db2.gz OQAQBWBJNLGGPB-OAHLLOKOSA-N 2 0 255.365 2.548 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2-n2cccc2)CC1 ZINC001205116654 779257903 /nfs/dbraw/zinc/25/79/03/779257903.db2.gz FPMBVGHSFWOASA-MRXNPFEDSA-N 2 0 269.392 2.791 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000699456597 779265404 /nfs/dbraw/zinc/26/54/04/779265404.db2.gz MTWJIIIDUVDXNM-DLBZAZTESA-N 2 0 276.424 2.523 20 0 CFADRP C[C@H]1C[N@H+](CCCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC001205131206 779286132 /nfs/dbraw/zinc/28/61/32/779286132.db2.gz UEXWILJOGVNJFU-DOTOQJQBSA-N 2 0 276.424 2.510 20 0 CFADRP CCCCOCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715236576 779304669 /nfs/dbraw/zinc/30/46/69/779304669.db2.gz SKXGYAZQCXUICI-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP Cc1cnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC001238440313 779315477 /nfs/dbraw/zinc/31/54/77/779315477.db2.gz LVIAVIAFBXCANL-UHFFFAOYSA-N 2 0 273.424 2.616 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC001235435525 779353533 /nfs/dbraw/zinc/35/35/33/779353533.db2.gz NFHYEQHLBSPDMB-UHFFFAOYSA-N 2 0 294.292 2.704 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001168498200 779358652 /nfs/dbraw/zinc/35/86/52/779358652.db2.gz QZAFRXMMCXIDAV-RHSMWYFYSA-N 2 0 276.399 2.784 20 0 CFADRP CSc1ncc(C)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238718056 779375889 /nfs/dbraw/zinc/37/58/89/779375889.db2.gz IBNZBSZXGZCQNA-UHFFFAOYSA-N 2 0 291.464 2.640 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCC2)C[C@@H]1CCC[NH2+]C1 ZINC001235958502 779415214 /nfs/dbraw/zinc/41/52/14/779415214.db2.gz GPCDVGOPNYLFQO-CQSZACIVSA-N 2 0 258.409 2.607 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000037786539 779423804 /nfs/dbraw/zinc/42/38/04/779423804.db2.gz QSJNFZPVGSWWTM-AWEZNQCLSA-N 3 0 281.488 2.569 20 0 CFADRP c1cc(C[NH+]2CCCCC2)c(C2=CCC[NH2+]CC2)cn1 ZINC001238949050 779423988 /nfs/dbraw/zinc/42/39/88/779423988.db2.gz FMWSSASXKMCLAW-UHFFFAOYSA-N 2 0 271.408 2.834 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCCC3(CC(F)C3)CC2)CO1 ZINC001235993801 779425044 /nfs/dbraw/zinc/42/50/44/779425044.db2.gz QKTJXBTZVOHLCF-BBBYJDLNSA-N 2 0 284.419 2.705 20 0 CFADRP CCOc1ccc(CN2C[C@H](C)C[C@H]([NH3+])C2)c(C)c1 ZINC001236044746 779447880 /nfs/dbraw/zinc/44/78/80/779447880.db2.gz AEQPXKSWPYUHTF-DOMZBBRYSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)(O)/C=C/c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001239159263 779464060 /nfs/dbraw/zinc/46/40/60/779464060.db2.gz DUAUDKNBMUIPMO-RMKNXTFCSA-N 2 0 288.435 2.641 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc([C@H](C)[NH3+])c2)cn1 ZINC001239214205 779477010 /nfs/dbraw/zinc/47/70/10/779477010.db2.gz HCXMJKKCDDUBGC-AWEZNQCLSA-N 2 0 286.423 2.912 20 0 CFADRP CC[NH+]1CCC(CC2CCN(C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001236191720 779495551 /nfs/dbraw/zinc/49/55/51/779495551.db2.gz CKYSXPQRNSRHAW-SFHVURJKSA-N 2 0 293.499 2.572 20 0 CFADRP Fc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321127 779542262 /nfs/dbraw/zinc/54/22/62/779542262.db2.gz XHBDFDIYZWKRBJ-BETUJISGSA-N 2 0 282.790 2.911 20 0 CFADRP CCC[N@@H+](Cc1cccc(C)c1OC)C[C@@H]1CC[NH2+]C1 ZINC001236845215 779646837 /nfs/dbraw/zinc/64/68/37/779646837.db2.gz ZTLRXWXXNMVQPU-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccoc2)CC1 ZINC001239690536 779711815 /nfs/dbraw/zinc/71/18/15/779711815.db2.gz JBVQPHDMFJSASE-UHFFFAOYSA-N 2 0 256.349 2.870 20 0 CFADRP COc1cncc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001239932279 779869323 /nfs/dbraw/zinc/86/93/23/779869323.db2.gz NSWZIHMDWRTJMN-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001168593892 780021882 /nfs/dbraw/zinc/02/18/82/780021882.db2.gz WGWDMQMKLLKWHW-PMPSAXMXSA-N 2 0 288.439 2.791 20 0 CFADRP CS[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000300659341 780087775 /nfs/dbraw/zinc/08/77/75/780087775.db2.gz JLUCGXHGGOJXGU-ARQSVGKCSA-N 2 0 268.470 2.875 20 0 CFADRP C[NH+](C)CCOc1ccccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240456257 780177036 /nfs/dbraw/zinc/17/70/36/780177036.db2.gz GDXUQIRGLJBBAJ-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP [NH3+][C@H]1CCc2c1cccc2-c1ccc2c(c1)CC[NH2+]C2 ZINC001240457110 780178059 /nfs/dbraw/zinc/17/80/59/780178059.db2.gz OLMUVVAMQRTCPK-SFHVURJKSA-N 2 0 264.372 2.945 20 0 CFADRP Cc1cccc2[nH]cc(C[NH+]3CCC(C[NH3+])CC3)c21 ZINC001205041185 780237195 /nfs/dbraw/zinc/23/71/95/780237195.db2.gz OLUQHXKWHULGKO-UHFFFAOYSA-N 2 0 257.381 2.647 20 0 CFADRP Cc1cnccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001240611511 780288075 /nfs/dbraw/zinc/28/80/75/780288075.db2.gz MZHYFKAWWODPAE-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP c1nc2ccc(C3=CCC[NH2+]C3)cc2n1[C@H]1CCC[NH2+]CC1 ZINC001240658891 780332211 /nfs/dbraw/zinc/33/22/11/780332211.db2.gz LBJLWDPKIFVNLT-INIZCTEOSA-N 2 0 296.418 2.728 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@@H+](C2CC(OC(C)(C)C)C2)CC1 ZINC000450851908 780336300 /nfs/dbraw/zinc/33/63/00/780336300.db2.gz CWRDDFXGWMCKNX-NFOMZHRRSA-N 2 0 268.445 2.749 20 0 CFADRP Fc1ccc(C2=CCC[NH2+]C2)cc1C[NH+]1CCCC1 ZINC001240670853 780343168 /nfs/dbraw/zinc/34/31/68/780343168.db2.gz NLMWRKXWXLNJIM-UHFFFAOYSA-N 2 0 260.356 2.798 20 0 CFADRP CCn1nccc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001240709948 780380926 /nfs/dbraw/zinc/38/09/26/780380926.db2.gz ACBNLEHHEMYOSQ-UHFFFAOYSA-N 2 0 298.434 2.741 20 0 CFADRP Cc1ncccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001240730071 780397542 /nfs/dbraw/zinc/39/75/42/780397542.db2.gz FXUIGPVTIJKPJW-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000453193277 780421402 /nfs/dbraw/zinc/42/14/02/780421402.db2.gz LBOXKVICXWWDBW-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cncc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001240804131 780456202 /nfs/dbraw/zinc/45/62/02/780456202.db2.gz GMJGBGHYGHMSKL-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP CCCOc1cc(F)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205053559 780637699 /nfs/dbraw/zinc/63/76/99/780637699.db2.gz PHCWRSFNVNAGCN-UHFFFAOYSA-N 2 0 280.387 2.785 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000700804820 780725281 /nfs/dbraw/zinc/72/52/81/780725281.db2.gz PGYSLIKEIMDEGP-UHFFFAOYSA-N 2 0 287.329 2.532 20 0 CFADRP FC1(F)CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000702817451 780956406 /nfs/dbraw/zinc/95/64/06/780956406.db2.gz ZUWFXCZSKQBMGY-YHWZYXNKSA-N 2 0 258.356 2.638 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ncccc3F)c2)CC1 ZINC001241539958 780963703 /nfs/dbraw/zinc/96/37/03/780963703.db2.gz DANJTFLQMSSEBI-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP C[NH+]1CCc2c(F)cc(C3=CCC[N@@H+](C)C3)cc2C1 ZINC001241572174 780989319 /nfs/dbraw/zinc/98/93/19/780989319.db2.gz PAWQFROVRWPDKP-UHFFFAOYSA-N 2 0 260.356 2.533 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C)(O)CC1 ZINC000703560190 781036593 /nfs/dbraw/zinc/03/65/93/781036593.db2.gz GVODUCKYQWIJJE-UIDBIOKJSA-N 2 0 268.445 2.580 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000705968756 781154713 /nfs/dbraw/zinc/15/47/13/781154713.db2.gz CDDNSQOQBLMIIE-DZGCQCFKSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CCCCCCC[NH3+])CCS1 ZINC000707344308 781242554 /nfs/dbraw/zinc/24/25/54/781242554.db2.gz GBLREJLZWJIBOO-AWEZNQCLSA-N 2 0 258.475 2.969 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC001242024986 781238362 /nfs/dbraw/zinc/23/83/62/781238362.db2.gz GSZCLRJQIRFOCB-MOPGFXCFSA-N 3 0 297.446 2.517 20 0 CFADRP C[NH+](C)Cc1c[nH]c2ncc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc12 ZINC001242026020 781239662 /nfs/dbraw/zinc/23/96/62/781239662.db2.gz WIHJHCRGYNYLRW-CABCVRRESA-N 2 0 282.391 2.532 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000707260197 781240274 /nfs/dbraw/zinc/24/02/74/781240274.db2.gz KKHXAMKQEFPRBS-UYTSQGDYSA-N 2 0 282.497 2.981 20 0 CFADRP [NH3+]Cc1c[nH]c2ccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc12 ZINC001242027671 781241312 /nfs/dbraw/zinc/24/13/12/781241312.db2.gz GYBOEORLAYRMFA-KGLIPLIRSA-N 2 0 253.349 2.534 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)O1 ZINC000709678811 781298428 /nfs/dbraw/zinc/29/84/28/781298428.db2.gz DKJJHGIHJBYNOD-ILXRZTDVSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001242149308 781302022 /nfs/dbraw/zinc/30/20/22/781302022.db2.gz MIODWEOXTLNVPQ-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP C[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709702106 781301889 /nfs/dbraw/zinc/30/18/89/781301889.db2.gz KHACABSCUPVTMI-RDGKXADDSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709732287 781304416 /nfs/dbraw/zinc/30/44/16/781304416.db2.gz KSURZONJNKRCHB-OCCSQVGLSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCC(F)(F)CC1)[NH2+]2 ZINC000709353691 781309516 /nfs/dbraw/zinc/30/95/16/781309516.db2.gz OJSCDNLUDUHMAH-SYEHKZFSSA-N 2 0 258.356 2.683 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCC(F)(F)CC1)[NH2+]2 ZINC000709353689 781309828 /nfs/dbraw/zinc/30/98/28/781309828.db2.gz OJSCDNLUDUHMAH-MGAJPHDKSA-N 2 0 258.356 2.683 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000709639311 781317143 /nfs/dbraw/zinc/31/71/43/781317143.db2.gz XGZMNFOSWUBARM-VXGBXAGGSA-N 2 0 264.335 2.650 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3cccnc31)C2 ZINC000709801893 781317877 /nfs/dbraw/zinc/31/78/77/781317877.db2.gz GKMZFHMYBNDTBB-RCBQFDQVSA-N 2 0 267.376 2.546 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1nc(-c2ccsc2)no1 ZINC000710706042 781334864 /nfs/dbraw/zinc/33/48/64/781334864.db2.gz QEOHJGIPZWAIBX-UHFFFAOYSA-N 2 0 294.424 2.749 20 0 CFADRP Cc1ccc2nc(C[N@H+](C)CCCCCC[NH3+])cn2c1 ZINC000710837035 781341353 /nfs/dbraw/zinc/34/13/53/781341353.db2.gz PLJKNROLFKMALQ-UHFFFAOYSA-N 2 0 274.412 2.594 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000711412043 781429909 /nfs/dbraw/zinc/42/99/09/781429909.db2.gz AJMUVLBMEWMZOC-OAHLLOKOSA-N 2 0 266.429 2.551 20 0 CFADRP C1=C[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000711750156 781469952 /nfs/dbraw/zinc/46/99/52/781469952.db2.gz NRYBUCAEWHNQGK-AWEZNQCLSA-N 2 0 257.381 2.606 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711841216 781476169 /nfs/dbraw/zinc/47/61/69/781476169.db2.gz POUOWYBTSCHAQZ-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1ccc(F)cc1F ZINC001118243501 781522273 /nfs/dbraw/zinc/52/22/73/781522273.db2.gz TZBVRUVPNLRLFA-CQSZACIVSA-N 2 0 268.351 2.711 20 0 CFADRP c1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc2c1C[NH2+]CC2 ZINC001242689135 781698071 /nfs/dbraw/zinc/69/80/71/781698071.db2.gz WUXADQVDJFKOBN-MRXNPFEDSA-N 2 0 283.419 2.759 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242729488 781726893 /nfs/dbraw/zinc/72/68/93/781726893.db2.gz YDMPNIQNRVVGHO-UHFFFAOYSA-N 2 0 298.434 2.878 20 0 CFADRP C=C(c1ccccc1)c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001242893374 781827515 /nfs/dbraw/zinc/82/75/15/781827515.db2.gz RBPMUOQXVVUCMJ-UHFFFAOYSA-N 2 0 265.360 2.553 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc(-n3cc[nH+]c3N)cc2)cc1 ZINC001242993890 781907673 /nfs/dbraw/zinc/90/76/73/781907673.db2.gz XOQADQQRFFIACU-UHFFFAOYSA-N 2 0 278.359 2.841 20 0 CFADRP C[NH2+]Cc1cccc(-c2[nH+]ccc3c2ccn3C)c1 ZINC001242995721 781909310 /nfs/dbraw/zinc/90/93/10/781909310.db2.gz USAYPOQNYJDJSQ-UHFFFAOYSA-N 2 0 251.333 2.960 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccccc2Cn2cc[nH+]c2N)c1 ZINC001242999478 781914765 /nfs/dbraw/zinc/91/47/65/781914765.db2.gz LWEHINSSOVCOQJ-UHFFFAOYSA-N 2 0 292.386 2.900 20 0 CFADRP Cc1nc2ccccc2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032133 282081712 /nfs/dbraw/zinc/08/17/12/282081712.db2.gz HZRGUBKLNKFPIJ-UHFFFAOYSA-N 2 0 296.418 2.514 20 0 CFADRP Brc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000258990963 289996138 /nfs/dbraw/zinc/99/61/38/289996138.db2.gz LTOWIZWBZNVLNF-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP [NH3+]C1(C[NH2+]CCSCc2ccccc2)CCCC1 ZINC000594739851 349485475 /nfs/dbraw/zinc/48/54/75/349485475.db2.gz ZKVHDPGMTKFCTI-UHFFFAOYSA-N 2 0 264.438 2.781 20 0 CFADRP CS[C@H](C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422942980 295660647 /nfs/dbraw/zinc/66/06/47/295660647.db2.gz XHQRCGMDDXALBU-XNRPHZJLSA-N 2 0 292.448 2.583 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189112858 282098209 /nfs/dbraw/zinc/09/82/09/282098209.db2.gz YZQHMAWXTVOBTG-QGZVFWFLSA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127726335 187329329 /nfs/dbraw/zinc/32/93/29/187329329.db2.gz PCAGLLGNDGZKRW-WMLDXEAASA-N 2 0 293.430 2.502 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127738529 187330262 /nfs/dbraw/zinc/33/02/62/187330262.db2.gz CDEJSUSRTJJDPN-RCCFBDPRSA-N 2 0 287.451 2.506 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000595045843 349562683 /nfs/dbraw/zinc/56/26/83/349562683.db2.gz HWNUUDXVHNAZJH-MCIONIFRSA-N 2 0 274.449 2.684 20 0 CFADRP Fc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127810383 187334843 /nfs/dbraw/zinc/33/48/43/187334843.db2.gz DDNRPQRMLPLOEU-JKSUJKDBSA-N 2 0 262.372 2.585 20 0 CFADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423170544 529390180 /nfs/dbraw/zinc/39/01/80/529390180.db2.gz YCVMDJSOWAJNHR-BPKGMFCQSA-N 2 0 280.456 2.558 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290309023 197666441 /nfs/dbraw/zinc/66/64/41/197666441.db2.gz ZOUYMPVZTDUZEZ-KYHPRHEASA-N 2 0 290.451 2.910 20 0 CFADRP CCC(CC)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378375530 282163432 /nfs/dbraw/zinc/16/34/32/282163432.db2.gz YOWLDMNXNMZICB-HRCADAONSA-N 2 0 268.445 2.606 20 0 CFADRP Cn1ccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c1 ZINC000125556500 187190884 /nfs/dbraw/zinc/19/08/84/187190884.db2.gz NBVAQIWTXBVCFE-GOSISDBHSA-N 2 0 283.419 2.779 20 0 CFADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1F ZINC000422821269 529489903 /nfs/dbraw/zinc/48/99/03/529489903.db2.gz VGZSRSBIVVBNAZ-IXXDHKBRSA-N 2 0 292.398 2.856 20 0 CFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070187469 346907425 /nfs/dbraw/zinc/90/74/25/346907425.db2.gz GHLXVQVEXSLUJM-LBPRGKRZSA-N 2 0 250.361 2.948 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422834463 282195050 /nfs/dbraw/zinc/19/50/50/282195050.db2.gz HLLJXUNBCZJAEC-IGKNDFSCSA-N 3 0 293.499 2.760 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414831335 295683763 /nfs/dbraw/zinc/68/37/63/295683763.db2.gz NDQWGESBRJMGGX-ZIAGYGMSSA-N 2 0 278.465 2.929 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920576 529568006 /nfs/dbraw/zinc/56/80/06/529568006.db2.gz ZRJIAGKZNSQNLY-QGZVFWFLSA-N 2 0 276.424 2.737 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000070360472 346909927 /nfs/dbraw/zinc/90/99/27/346909927.db2.gz UIJYKMRFFMWNIJ-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]1 ZINC000422753025 529606229 /nfs/dbraw/zinc/60/62/29/529606229.db2.gz DDNDJGOSIWWDOL-RDJZCZTQSA-N 2 0 289.398 2.970 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Cl)ccc1OC ZINC000423300558 529610340 /nfs/dbraw/zinc/61/03/40/529610340.db2.gz RVQNKEMBCACCRV-GWCFXTLKSA-N 2 0 270.804 2.984 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)[C@@H]1CC1(C)C ZINC000414055751 529595944 /nfs/dbraw/zinc/59/59/44/529595944.db2.gz CYJVYPFOURBJMH-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422786879 529598549 /nfs/dbraw/zinc/59/85/49/529598549.db2.gz PFIPPBNENVNAND-HOTGVXAUSA-N 2 0 268.445 2.846 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423316325 529621826 /nfs/dbraw/zinc/62/18/26/529621826.db2.gz ALMHFSAXGHRANS-CYBMUJFWSA-N 2 0 261.413 2.684 20 0 CFADRP CC[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744676 529617326 /nfs/dbraw/zinc/61/73/26/529617326.db2.gz WLQLXDASSYPBKN-LTIDMASMSA-N 2 0 281.488 2.617 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453069615 536797725 /nfs/dbraw/zinc/79/77/25/536797725.db2.gz CAICGIFOCARDBS-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000422816962 529649697 /nfs/dbraw/zinc/64/96/97/529649697.db2.gz BUDDKWMFKFMHGI-HZMBPMFUSA-N 2 0 252.789 2.989 20 0 CFADRP CCc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)s1 ZINC000422857770 529651400 /nfs/dbraw/zinc/65/14/00/529651400.db2.gz HULSTLZKJHPJPZ-UHFFFAOYSA-N 2 0 252.427 2.918 20 0 CFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422950851 529638672 /nfs/dbraw/zinc/63/86/72/529638672.db2.gz WSGNVMKUIQYFAO-MELADBBJSA-N 2 0 291.439 2.887 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1c(C)nn(C)c1C ZINC000422798445 529664794 /nfs/dbraw/zinc/66/47/94/529664794.db2.gz RCIZBZIUCIPBKB-RISCZKNCSA-N 2 0 266.433 2.595 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(F)c1 ZINC000423507443 529672371 /nfs/dbraw/zinc/67/23/71/529672371.db2.gz MRSGFJLCESUDJY-UGFHNGPFSA-N 2 0 250.361 2.994 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000423042409 282246933 /nfs/dbraw/zinc/24/69/33/282246933.db2.gz LBPNRGVQBOZEHU-VIRABCJISA-N 2 0 256.434 2.686 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000423221760 529729604 /nfs/dbraw/zinc/72/96/04/529729604.db2.gz XYVGQJUZCQDBIO-GCVQQVDUSA-N 2 0 267.442 2.934 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423220630 529747798 /nfs/dbraw/zinc/74/77/98/529747798.db2.gz YNXGEGZYFUCVMB-VXGBXAGGSA-N 2 0 279.453 2.672 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423543740 529747816 /nfs/dbraw/zinc/74/78/16/529747816.db2.gz VTFNMABVRNFQBF-CYBMUJFWSA-N 2 0 291.464 2.982 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000295032785 199311161 /nfs/dbraw/zinc/31/11/61/199311161.db2.gz OBDNBXGHSOOZPI-JKSUJKDBSA-N 2 0 273.424 2.539 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414790374 529753574 /nfs/dbraw/zinc/75/35/74/529753574.db2.gz ZRIDOCDQYYWJNQ-STQMWFEESA-N 2 0 279.453 2.527 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000126827379 187264387 /nfs/dbraw/zinc/26/43/87/187264387.db2.gz BRKKCBIVMGNIIC-ZWNOBZJWSA-N 2 0 254.324 2.793 20 0 CFADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1O ZINC000295066179 199327868 /nfs/dbraw/zinc/32/78/68/199327868.db2.gz QPEHZNCGQDXGIX-MQVJKMGUSA-N 2 0 274.408 2.724 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)N1CCC(C)CC1 ZINC000348088751 539368226 /nfs/dbraw/zinc/36/82/26/539368226.db2.gz SYRKICOPAFWAFK-FVQBIDKESA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000423161599 529883919 /nfs/dbraw/zinc/88/39/19/529883919.db2.gz JGCLWGJGXWEHKK-RCCFBDPRSA-N 3 0 293.499 2.761 20 0 CFADRP CN(CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])Cc1ccc(F)cc1 ZINC000422820519 529918096 /nfs/dbraw/zinc/91/80/96/529918096.db2.gz RAJIHOYZGWYPIB-SJORKVTESA-N 2 0 293.430 2.507 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348089616 539381778 /nfs/dbraw/zinc/38/17/78/539381778.db2.gz UCLCIBPGSWEZCJ-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2=CCCOC2)c1 ZINC000127054512 187279811 /nfs/dbraw/zinc/27/98/11/187279811.db2.gz IAUXXCBFHTUNCD-UHFFFAOYSA-N 2 0 274.408 2.575 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423198703 529971691 /nfs/dbraw/zinc/97/16/91/529971691.db2.gz HKAGYZFOZTYSCV-HOTGVXAUSA-N 2 0 276.424 2.569 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000414856461 529971042 /nfs/dbraw/zinc/97/10/42/529971042.db2.gz AICGMSZWMVAOEM-UHFFFAOYSA-N 2 0 260.303 2.713 20 0 CFADRP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC([NH3+])C1 ZINC000414781114 529989894 /nfs/dbraw/zinc/98/98/94/529989894.db2.gz VGTOCPZDBDVMHW-UHFFFAOYSA-N 2 0 297.402 2.582 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414849744 529985883 /nfs/dbraw/zinc/98/58/83/529985883.db2.gz YMPFTZHAHDBOKX-CHWSQXEVSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000423277253 529985959 /nfs/dbraw/zinc/98/59/59/529985959.db2.gz PLPQLCXOOLMRSB-PBHICJAKSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414838724 529998604 /nfs/dbraw/zinc/99/86/04/529998604.db2.gz LMRDAFNQEFZSAL-RYUDHWBXSA-N 2 0 299.256 2.998 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423276378 529999090 /nfs/dbraw/zinc/99/90/90/529999090.db2.gz OHSWPXRWHZQKHS-RYUDHWBXSA-N 2 0 270.367 2.731 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414843121 529999280 /nfs/dbraw/zinc/99/92/80/529999280.db2.gz PQIPGZBQZAFDFR-USXIJHARSA-N 2 0 260.425 2.843 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423256016 529999289 /nfs/dbraw/zinc/99/92/89/529999289.db2.gz BGLZGYOCYJZVDX-QWRGUYRKSA-N 2 0 263.410 2.802 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000423255967 529999597 /nfs/dbraw/zinc/99/95/97/529999597.db2.gz BCQIFUBOKQQVKE-WCQYABFASA-N 2 0 280.412 2.518 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423280616 529999730 /nfs/dbraw/zinc/99/97/30/529999730.db2.gz UXUDLWAHFPFFOS-YQQAZPJKSA-N 2 0 276.424 2.599 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCSCc2ccccc2)CC1 ZINC000193907118 530049392 /nfs/dbraw/zinc/04/93/92/530049392.db2.gz OJVSTDUOIBFSGN-UHFFFAOYSA-N 2 0 278.465 2.851 20 0 CFADRP CCC1(CC)C[N@H+](C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000262141056 282374885 /nfs/dbraw/zinc/37/48/85/282374885.db2.gz ZBOKOQFHQJEZNH-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444603447 282389580 /nfs/dbraw/zinc/38/95/80/282389580.db2.gz TYMDGXJELQTTNK-GOSISDBHSA-N 2 0 293.499 2.526 20 0 CFADRP Cc1ccc(OCCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000131769243 232207366 /nfs/dbraw/zinc/20/73/66/232207366.db2.gz PMUHASIVZQTBBX-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000668437883 539487871 /nfs/dbraw/zinc/48/78/71/539487871.db2.gz UGOKKLNWUBQLEG-HNNXBMFYSA-N 2 0 296.418 2.839 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130158496 539499713 /nfs/dbraw/zinc/49/97/13/539499713.db2.gz KIVWWUVGGLYXMP-ZMSDIMECSA-N 2 0 256.393 2.890 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CCC[NH+]1CCCC1 ZINC000071269751 539506443 /nfs/dbraw/zinc/50/64/43/539506443.db2.gz SSLXCVFLAVQGGH-ZDUSSCGKSA-N 2 0 252.427 2.755 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123885322 539512155 /nfs/dbraw/zinc/51/21/55/539512155.db2.gz JOVJTGFIQSTWML-OKILXGFUSA-N 2 0 258.409 2.810 20 0 CFADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123960296 539513007 /nfs/dbraw/zinc/51/30/07/539513007.db2.gz HUDRVPQNFJGMPB-UONOGXRCSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000668474540 539518532 /nfs/dbraw/zinc/51/85/32/539518532.db2.gz CCRRIXLBETVINM-RYQLBKOJSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000668474539 539518581 /nfs/dbraw/zinc/51/85/81/539518581.db2.gz CCRRIXLBETVINM-JQHSSLGASA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)(CO)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090193028 539527586 /nfs/dbraw/zinc/52/75/86/539527586.db2.gz UAWIMDKHMGVFEH-INIZCTEOSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295137502 199365760 /nfs/dbraw/zinc/36/57/60/199365760.db2.gz ZIMAKZMQADGZII-WWTUQBGBSA-N 2 0 276.399 2.972 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CCC[NH2+]1 ZINC000414956191 293295892 /nfs/dbraw/zinc/29/58/92/293295892.db2.gz OIFDHHIKSSWSKQ-OFQRWUPVSA-N 2 0 268.445 2.559 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000596655737 349970140 /nfs/dbraw/zinc/97/01/40/349970140.db2.gz YELQQUPQTFDIBK-ARFHVFGLSA-N 2 0 298.471 2.852 20 0 CFADRP CC[NH+](CC)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000058013715 346641428 /nfs/dbraw/zinc/64/14/28/346641428.db2.gz PPDFKLUDTNFEQJ-UHFFFAOYSA-N 2 0 289.423 2.563 20 0 CFADRP CN(CC[NH+]1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000085820450 179184237 /nfs/dbraw/zinc/18/42/37/179184237.db2.gz ORZGKRUXCUPUSR-UHFFFAOYSA-N 2 0 289.467 2.787 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089622078 347523138 /nfs/dbraw/zinc/52/31/38/347523138.db2.gz BRGNDBNMYOIMQF-BHYGNILZSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000128565094 187377659 /nfs/dbraw/zinc/37/76/59/187377659.db2.gz MIYBGYDHNVMLJQ-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090666857 347554492 /nfs/dbraw/zinc/55/44/92/347554492.db2.gz NQQQSOZLUTZHRM-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090727840 347555388 /nfs/dbraw/zinc/55/53/88/347555388.db2.gz PMCFVARAIHNSSU-BYCMXARLSA-N 2 0 277.412 2.611 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000090800025 347557547 /nfs/dbraw/zinc/55/75/47/347557547.db2.gz LMLOBQUIZALNAL-VSVYTNTFSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1 ZINC000216171353 539565510 /nfs/dbraw/zinc/56/55/10/539565510.db2.gz NOVWARPFQFWTQX-NEPJUHHUSA-N 2 0 268.401 2.587 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090469057 347551000 /nfs/dbraw/zinc/55/10/00/347551000.db2.gz ITWVTOUYQBVDMG-DOTOQJQBSA-N 2 0 260.425 2.776 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000090526477 347552041 /nfs/dbraw/zinc/55/20/41/347552041.db2.gz GZMMICWUXQVSJB-BZSNNMDCSA-N 2 0 294.483 2.779 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000093516696 347678301 /nfs/dbraw/zinc/67/83/01/347678301.db2.gz ALVRZTXSWGSFKY-KKUMJFAQSA-N 2 0 256.434 2.558 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093516147 347678632 /nfs/dbraw/zinc/67/86/32/347678632.db2.gz ZBEKCNHYJCHBSO-WBVHZDCISA-N 3 0 281.488 2.619 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000093536698 347678986 /nfs/dbraw/zinc/67/89/86/347678986.db2.gz PSNMSRMUSBDFEK-FVQBIDKESA-N 2 0 276.449 2.973 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094338973 347695137 /nfs/dbraw/zinc/69/51/37/347695137.db2.gz GSRZSWPNOZCBCY-CJNGLKHVSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094341319 347695400 /nfs/dbraw/zinc/69/54/00/347695400.db2.gz IKWXJCPSXNHNBI-WFASDCNBSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214210 347665499 /nfs/dbraw/zinc/66/54/99/347665499.db2.gz VOVYUJCWDGHVRY-VHDGCEQUSA-N 2 0 262.397 2.573 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000106410221 347730713 /nfs/dbraw/zinc/73/07/13/347730713.db2.gz YIDMEXKMUUCTRG-AWEZNQCLSA-N 2 0 250.361 2.566 20 0 CFADRP CCc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)s1 ZINC000110645407 347749399 /nfs/dbraw/zinc/74/93/99/347749399.db2.gz IJPCWZUWTIBYMG-NSHDSACASA-N 2 0 252.427 2.870 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000131768379 347880824 /nfs/dbraw/zinc/88/08/24/347880824.db2.gz KLTFXVGUDSBRAZ-CHWSQXEVSA-N 2 0 282.815 2.778 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000131497971 347878842 /nfs/dbraw/zinc/87/88/42/347878842.db2.gz FGVDMZTWNDKVAP-ZFWWWQNUSA-N 2 0 262.397 2.787 20 0 CFADRP CCOC(=O)CC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000131602880 347879416 /nfs/dbraw/zinc/87/94/16/347879416.db2.gz IJXBUQAKZNRIQD-HOTGVXAUSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(F)c2)CN1C1CC1 ZINC000128645768 187381928 /nfs/dbraw/zinc/38/19/28/187381928.db2.gz GKNOECUIKOQIBC-SWLSCSKDSA-N 2 0 262.372 2.583 20 0 CFADRP CC(C)CSCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000155617139 347987831 /nfs/dbraw/zinc/98/78/31/347987831.db2.gz QHQCWUMCCCPYER-UHFFFAOYSA-N 2 0 293.480 2.983 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000668583335 539596419 /nfs/dbraw/zinc/59/64/19/539596419.db2.gz DYIAKMBHVIHGLN-WMLDXEAASA-N 2 0 289.423 2.598 20 0 CFADRP CC1(C)C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000158856140 348009362 /nfs/dbraw/zinc/00/93/62/348009362.db2.gz JHWBQGLBXUOUNX-UHFFFAOYSA-N 2 0 276.449 2.660 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000180792695 348123171 /nfs/dbraw/zinc/12/31/71/348123171.db2.gz QYXSYUZHBCQAPS-UHFFFAOYSA-N 2 0 278.444 2.744 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000211081310 348158511 /nfs/dbraw/zinc/15/85/11/348158511.db2.gz GWUDMYXQQARYLF-OUAUKWLOSA-N 2 0 252.324 2.647 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccco2)C1 ZINC000226683226 348184929 /nfs/dbraw/zinc/18/49/29/348184929.db2.gz ASWCSHIWRRVPSQ-CABCVRRESA-N 2 0 264.413 2.921 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)ccc2F)CC1 ZINC000227286830 348185789 /nfs/dbraw/zinc/18/57/89/348185789.db2.gz QBRXZTUDOJLLMK-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000228619318 348196818 /nfs/dbraw/zinc/19/68/18/348196818.db2.gz FPGPSKRKVGQDIQ-QGZVFWFLSA-N 2 0 292.398 2.798 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000246823604 348266821 /nfs/dbraw/zinc/26/68/21/348266821.db2.gz BHJLERGFCSBLTI-IGKNDFSCSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000252181633 348295290 /nfs/dbraw/zinc/29/52/90/348295290.db2.gz SYTJGKUFMVRUSG-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP c1ccc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000257695695 348307029 /nfs/dbraw/zinc/30/70/29/348307029.db2.gz OSVBPCHNLRXPRS-KRWDZBQOSA-N 2 0 258.409 2.695 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000564469396 290210848 /nfs/dbraw/zinc/21/08/48/290210848.db2.gz DNNYOKPGCQSKSJ-OLZOCXBDSA-N 2 0 270.779 2.881 20 0 CFADRP CSC1(C[NH2+]CCCCn2ccnc2)CCC1 ZINC000302393945 348373804 /nfs/dbraw/zinc/37/38/04/348373804.db2.gz GIRRAXOWKWDQPP-UHFFFAOYSA-N 2 0 253.415 2.539 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccsc2C)CC1 ZINC000310550708 348409735 /nfs/dbraw/zinc/40/97/35/348409735.db2.gz UKVDQTZQUKDVFS-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000315892863 348430630 /nfs/dbraw/zinc/43/06/30/348430630.db2.gz CBHWFLAHIDNQQB-UHFFFAOYSA-N 2 0 297.402 2.502 20 0 CFADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000313376948 348422638 /nfs/dbraw/zinc/42/26/38/348422638.db2.gz DZBORBIXYNKPEG-HOTGVXAUSA-N 2 0 276.424 2.722 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400010943 348570667 /nfs/dbraw/zinc/57/06/67/348570667.db2.gz FAYMYFRKDDWQJJ-SVXVCFNTSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401021456 348576267 /nfs/dbraw/zinc/57/62/67/348576267.db2.gz RCBSYNKXKBQAPL-LXTVHRRPSA-N 2 0 262.397 2.578 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401021454 348576668 /nfs/dbraw/zinc/57/66/68/348576668.db2.gz RCBSYNKXKBQAPL-CBBWQLFWSA-N 2 0 262.397 2.578 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090764391 539656369 /nfs/dbraw/zinc/65/63/69/539656369.db2.gz DDIJLFYBUWWMOW-NEPJUHHUSA-N 2 0 279.428 2.715 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000230987479 539663794 /nfs/dbraw/zinc/66/37/94/539663794.db2.gz PRFZQRCNNAGIAL-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091859366 539668883 /nfs/dbraw/zinc/66/88/83/539668883.db2.gz PIUXXJWMPYHTTO-LSDHHAIUSA-N 2 0 276.424 2.857 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000231791250 539680953 /nfs/dbraw/zinc/68/09/53/539680953.db2.gz VZKCWRSLYSLMMO-VHSXEESVSA-N 2 0 252.324 2.647 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000128981514 187403167 /nfs/dbraw/zinc/40/31/67/187403167.db2.gz GPUJLBRCCNOJKI-JQWIXIFHSA-N 2 0 254.324 2.758 20 0 CFADRP C[C@@H](O)C1([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000668699473 539702264 /nfs/dbraw/zinc/70/22/64/539702264.db2.gz PABGLYOWTXVPFZ-FMKPAKJESA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C1CC[NH+](C)CC1 ZINC000127124838 539711265 /nfs/dbraw/zinc/71/12/65/539711265.db2.gz BNKXWSFIRTWPSS-ZBFHGGJFSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)c1 ZINC000414071357 233160215 /nfs/dbraw/zinc/16/02/15/233160215.db2.gz KNMJAZOMFXTUAE-UONOGXRCSA-N 2 0 264.413 2.994 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000166583108 539722821 /nfs/dbraw/zinc/72/28/21/539722821.db2.gz XTTZIQRWMAKRGQ-LSDHHAIUSA-N 2 0 280.362 2.724 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414194567 233192378 /nfs/dbraw/zinc/19/23/78/233192378.db2.gz UKUZXBYBCFUGMP-OLZOCXBDSA-N 2 0 265.376 2.603 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(F)cn1 ZINC000414195395 233192820 /nfs/dbraw/zinc/19/28/20/233192820.db2.gz UUNMGTBTWHEPTO-QWHCGFSZSA-N 2 0 295.402 2.612 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000414200993 233195019 /nfs/dbraw/zinc/19/50/19/233195019.db2.gz XZFGSCYZGZVNRP-ZIAGYGMSSA-N 2 0 290.407 2.798 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000300248274 539726146 /nfs/dbraw/zinc/72/61/46/539726146.db2.gz BOAPDQCMXZMKSO-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CCS[C@H]1CC[C@H]([N@H+](C)Cc2cnc(C)n2C)C1 ZINC000597026485 350017970 /nfs/dbraw/zinc/01/79/70/350017970.db2.gz IVEVYVHNMAAJGQ-JSGCOSHPSA-N 2 0 267.442 2.835 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000597254936 350073348 /nfs/dbraw/zinc/07/33/48/350073348.db2.gz DTNDSUBMFVYBAN-RRFJBIMHSA-N 2 0 268.470 2.592 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000597129661 350034448 /nfs/dbraw/zinc/03/44/48/350034448.db2.gz NYUWGPHKWGWMNA-CABCVRRESA-N 2 0 298.471 2.674 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000597129665 350034591 /nfs/dbraw/zinc/03/45/91/350034591.db2.gz NYUWGPHKWGWMNA-GJZGRUSLSA-N 2 0 298.471 2.674 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000090578001 180008365 /nfs/dbraw/zinc/00/83/65/180008365.db2.gz OUJJKLZQKGDRID-QAPCUYQASA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000090720357 180030043 /nfs/dbraw/zinc/03/00/43/180030043.db2.gz YQTAEJMJQQROSO-RISCZKNCSA-N 2 0 252.789 2.912 20 0 CFADRP [NH3+]CCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000414706776 233333845 /nfs/dbraw/zinc/33/38/45/233333845.db2.gz HHYONXALIUJRDF-GFCCVEGCSA-N 2 0 272.314 2.844 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CC[NH2+]1 ZINC000414696289 233330190 /nfs/dbraw/zinc/33/01/90/233330190.db2.gz PDWOSVBCTHUTQL-DOTOQJQBSA-N 2 0 298.434 2.800 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000414698643 233332179 /nfs/dbraw/zinc/33/21/79/233332179.db2.gz XPIDYSODQATQGY-ZDUSSCGKSA-N 2 0 252.789 2.696 20 0 CFADRP Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414753121 233342385 /nfs/dbraw/zinc/34/23/85/233342385.db2.gz LSKFBBQXMVNILU-UONOGXRCSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414709230 233334975 /nfs/dbraw/zinc/33/49/75/233334975.db2.gz PTNGGDRGWBMTJL-NUJGCVRESA-N 2 0 287.451 2.951 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC000414714196 233336628 /nfs/dbraw/zinc/33/66/28/233336628.db2.gz WKVNYRSEBCMZOD-DZGCQCFKSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)on1 ZINC000414717443 233337367 /nfs/dbraw/zinc/33/73/67/233337367.db2.gz ZLGOBUBSGDDOOH-BNOWGMLFSA-N 2 0 263.385 2.508 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1C ZINC000414794836 233353989 /nfs/dbraw/zinc/35/39/89/233353989.db2.gz MGOXJJHVTMRPGI-HIFRSBDPSA-N 2 0 291.439 2.593 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000414795297 233354250 /nfs/dbraw/zinc/35/42/50/233354250.db2.gz GMODAKMXDJHDMA-SMDDNHRTSA-N 2 0 254.324 2.572 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414800779 233355710 /nfs/dbraw/zinc/35/57/10/233355710.db2.gz LJGDCIJEWGZCEW-IVMMDQJWSA-N 2 0 264.388 2.864 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414779440 233347776 /nfs/dbraw/zinc/34/77/76/233347776.db2.gz KBGHBKPPDNJGSY-QZTJIDSGSA-N 2 0 288.435 2.655 20 0 CFADRP c1ccc(OCCCCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414778253 233347785 /nfs/dbraw/zinc/34/77/85/233347785.db2.gz HRODLMUZMARHBB-UHFFFAOYSA-N 2 0 262.397 2.577 20 0 CFADRP Fc1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781666 233350030 /nfs/dbraw/zinc/35/00/30/233350030.db2.gz NKJNULWHGCLHGA-CHWSQXEVSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414787127 233350512 /nfs/dbraw/zinc/35/05/12/233350512.db2.gz VAABZGPNQSRURK-GJZGRUSLSA-N 2 0 276.399 2.956 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414787117 233351214 /nfs/dbraw/zinc/35/12/14/233351214.db2.gz YVMFKCAXFLXACD-RDJZCZTQSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000414807136 233359695 /nfs/dbraw/zinc/35/96/95/233359695.db2.gz QWRVHFVLLCMZQX-UAGQMJEPSA-N 2 0 260.425 2.972 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414811794 233361940 /nfs/dbraw/zinc/36/19/40/233361940.db2.gz WOAZJZBTNGGPOJ-SCZZXKLOSA-N 2 0 278.343 2.984 20 0 CFADRP Cn1cc(-c2cccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])c2)cn1 ZINC000414815056 233363822 /nfs/dbraw/zinc/36/38/22/233363822.db2.gz ZVKJEQGCZLBUHO-WMZOPIPTSA-N 2 0 298.434 2.694 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414818059 233365008 /nfs/dbraw/zinc/36/50/08/233365008.db2.gz UOJJCGGAOIUHSV-FUNVUKJBSA-N 2 0 282.334 2.661 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825225 233367207 /nfs/dbraw/zinc/36/72/07/233367207.db2.gz CAGDHUGULQUYLE-MRXNPFEDSA-N 2 0 298.434 2.578 20 0 CFADRP C[C@@H]([NH2+]CCSCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414824632 233367389 /nfs/dbraw/zinc/36/73/89/233367389.db2.gz RAJAJKWQLCZDBJ-GDBMZVCRSA-N 2 0 278.465 2.898 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000414831845 233370693 /nfs/dbraw/zinc/37/06/93/233370693.db2.gz QANBMTNMOGRHSP-YGOACVGDSA-N 2 0 262.372 2.802 20 0 CFADRP c1cc(C2CC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414832495 233371045 /nfs/dbraw/zinc/37/10/45/233371045.db2.gz QOFPNEREUVHWGQ-SJPCQFCGSA-N 2 0 256.393 2.937 20 0 CFADRP Clc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000414833165 233372008 /nfs/dbraw/zinc/37/20/08/233372008.db2.gz PIDHMARAMQQOEE-GFCCVEGCSA-N 2 0 289.810 2.977 20 0 CFADRP c1cc(-c2ncc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)cs1 ZINC000414835929 233372541 /nfs/dbraw/zinc/37/25/41/233372541.db2.gz SEAGODNENSCXRP-LLVKDONJSA-N 2 0 293.461 2.961 20 0 CFADRP Fc1ccc2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)sc2c1 ZINC000414838202 233373129 /nfs/dbraw/zinc/37/31/29/233373129.db2.gz KZOMROWFNWBMPP-LLVKDONJSA-N 2 0 293.411 2.915 20 0 CFADRP c1csc(-c2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)c1 ZINC000414842885 233374683 /nfs/dbraw/zinc/37/46/83/233374683.db2.gz ZTFMZISUPVZECB-LLVKDONJSA-N 2 0 293.461 2.961 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414869237 233384671 /nfs/dbraw/zinc/38/46/71/233384671.db2.gz AIOOWBGSXSJMAV-VXGBXAGGSA-N 2 0 286.366 2.794 20 0 CFADRP Cc1cc(Br)c(C[NH2+]C[C@@H](C)C[NH3+])s1 ZINC000414881851 233388085 /nfs/dbraw/zinc/38/80/85/233388085.db2.gz SVAUFBQNMFZCLM-ZETCQYMHSA-N 2 0 277.231 2.503 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000414885849 233388895 /nfs/dbraw/zinc/38/88/95/233388895.db2.gz GUBLJORGMGPZCN-BZUAXINKSA-N 2 0 262.372 2.789 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)CC[NH3+] ZINC000414888639 233390387 /nfs/dbraw/zinc/39/03/87/233390387.db2.gz FJIYEJOMTKTDNK-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414904059 233393926 /nfs/dbraw/zinc/39/39/26/233393926.db2.gz KVQQFJSFIDGJKQ-OAHLLOKOSA-N 2 0 273.355 2.606 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414913011 233396785 /nfs/dbraw/zinc/39/67/85/233396785.db2.gz ZGQWTGXGXVLVFU-GOEBONIOSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414855816 233379577 /nfs/dbraw/zinc/37/95/77/233379577.db2.gz NSSPVBYJVKUIPF-ZYHUDNBSSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414950742 233410758 /nfs/dbraw/zinc/41/07/58/233410758.db2.gz GLWHPVGWTIWSEU-MFKMUULPSA-N 2 0 288.313 2.673 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)CC[NH2+]1 ZINC000414952930 233412169 /nfs/dbraw/zinc/41/21/69/233412169.db2.gz RFISIOFWFPCPGV-YPMHNXCESA-N 2 0 284.350 2.561 20 0 CFADRP Clc1csc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009380 233434350 /nfs/dbraw/zinc/43/43/50/233434350.db2.gz NZSJYSQUJWYETC-QWHCGFSZSA-N 2 0 270.829 2.879 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415013778 233436927 /nfs/dbraw/zinc/43/69/27/233436927.db2.gz KXXZNGGTPCNZPB-HUUCEWRRSA-N 2 0 291.439 2.819 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3=Cc4ccccc4OC3)CC[C@@H]21 ZINC000092043370 180310862 /nfs/dbraw/zinc/31/08/62/180310862.db2.gz SCWOISFSRLJYLR-ROUUACIJSA-N 2 0 298.430 2.879 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000415021302 233439925 /nfs/dbraw/zinc/43/99/25/233439925.db2.gz YGDCFKWFOSSSRT-AWEZNQCLSA-N 2 0 286.423 2.694 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000092345962 180366481 /nfs/dbraw/zinc/36/64/81/180366481.db2.gz XDMBUHNMIWLGQT-CQSZACIVSA-N 2 0 269.392 2.585 20 0 CFADRP Cc1ccoc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381265 180372067 /nfs/dbraw/zinc/37/20/67/180372067.db2.gz ZWYMSUBHGJXTIC-UHFFFAOYSA-N 2 0 250.386 2.752 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868308 186144507 /nfs/dbraw/zinc/14/45/07/186144507.db2.gz NKRCBPFCWTUWHL-CHWSQXEVSA-N 2 0 250.411 2.773 20 0 CFADRP CC[C@@H](C(=O)OC)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657636 350475343 /nfs/dbraw/zinc/47/53/43/350475343.db2.gz JAEPVVGKTUFCKL-INIZCTEOSA-N 2 0 292.423 2.522 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C2CC(F)(F)C2)CC[NH+](C)CC1 ZINC000600166690 350528015 /nfs/dbraw/zinc/52/80/15/350528015.db2.gz ZDRFYKHKEXXHGH-NSHDSACASA-N 2 0 292.439 2.837 20 0 CFADRP c1sc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119981 186243782 /nfs/dbraw/zinc/24/37/82/186243782.db2.gz YPSVZYUPEJOBBG-TXEJJXNPSA-N 2 0 258.390 2.553 20 0 CFADRP C[C@H](c1ccncc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000600636272 350588814 /nfs/dbraw/zinc/58/88/14/350588814.db2.gz WQXXKWZCQMKDAJ-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP COc1cc(C)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000110649633 186310350 /nfs/dbraw/zinc/31/03/50/186310350.db2.gz HSJICFZHMRTFRM-CYBMUJFWSA-N 2 0 292.423 2.571 20 0 CFADRP CCOc1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000110645353 186309288 /nfs/dbraw/zinc/30/92/88/186309288.db2.gz UYEDGXMJJNOYPK-ZDUSSCGKSA-N 2 0 262.397 2.645 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000602731725 351004485 /nfs/dbraw/zinc/00/44/85/351004485.db2.gz GURXLOOMAPYVIP-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000565225238 290284981 /nfs/dbraw/zinc/28/49/81/290284981.db2.gz RNTDSWHCZHTUKQ-RRFJBIMHSA-N 2 0 262.397 2.622 20 0 CFADRP CCCC[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609137214 351486706 /nfs/dbraw/zinc/48/67/06/351486706.db2.gz UTYGAIIMXXUDNZ-MRXNPFEDSA-N 2 0 298.471 2.770 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000609137167 351486757 /nfs/dbraw/zinc/48/67/57/351486757.db2.gz IYMSOBPBLCXUIO-UHFFFAOYSA-N 2 0 298.471 2.770 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)C[NH+](C)C ZINC000291710645 198066286 /nfs/dbraw/zinc/06/62/86/198066286.db2.gz LFUMALCDSVOWFQ-LBPRGKRZSA-N 2 0 286.366 2.618 20 0 CFADRP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000668817966 539824809 /nfs/dbraw/zinc/82/48/09/539824809.db2.gz CZHFJGXOUTVCLB-KLAILNCOSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123140278 187073471 /nfs/dbraw/zinc/07/34/71/187073471.db2.gz ZCVDTIQENIFELL-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000122865711 187056493 /nfs/dbraw/zinc/05/64/93/187056493.db2.gz VYQYIPBVHWODDS-GXTWGEPZSA-N 2 0 296.842 2.963 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000122952763 187061993 /nfs/dbraw/zinc/06/19/93/187061993.db2.gz SKUFIMOYXRUIKY-UHFFFAOYSA-N 2 0 277.412 2.644 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccn(C)c2)C1 ZINC000123306279 187083812 /nfs/dbraw/zinc/08/38/12/187083812.db2.gz NVNJLYNRHWIYSB-HZPDHXFCSA-N 2 0 277.456 2.873 20 0 CFADRP Cc1nn(C)c(C)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123488638 187094821 /nfs/dbraw/zinc/09/48/21/187094821.db2.gz AEPROBJYFDHJCQ-UHFFFAOYSA-N 2 0 292.471 2.591 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCn2ccnc2C)c(C)s1 ZINC000310649541 539828983 /nfs/dbraw/zinc/82/89/83/539828983.db2.gz WYWYHHAYYYWKFK-SECBINFHSA-N 2 0 264.398 2.616 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000271485013 191165160 /nfs/dbraw/zinc/16/51/60/191165160.db2.gz JMODAYHIMHYIBR-BMGDILEWSA-N 2 0 288.435 2.715 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000292016334 198135901 /nfs/dbraw/zinc/13/59/01/198135901.db2.gz ZHTNHTLRXJYJTA-NOXHYTERSA-N 2 0 296.842 2.692 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C1(CC)CC ZINC000181392721 323809930 /nfs/dbraw/zinc/80/99/30/323809930.db2.gz FJITVZOCHHRDIN-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903949 295849020 /nfs/dbraw/zinc/84/90/20/295849020.db2.gz JDLVOYPKLDIPHV-QWRGUYRKSA-N 2 0 252.324 2.697 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC2(C)C)cc1 ZINC000618468220 352780526 /nfs/dbraw/zinc/78/05/26/352780526.db2.gz WZWNVZKAZCLXFE-HNNXBMFYSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423123910 295852732 /nfs/dbraw/zinc/85/27/32/295852732.db2.gz FNGIMMRHHAROSF-GXFFZTMASA-N 2 0 284.350 2.896 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000233474080 539958398 /nfs/dbraw/zinc/95/83/98/539958398.db2.gz YBGDBLALPPTXCA-OAHLLOKOSA-N 2 0 269.392 2.666 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1OC ZINC000619771161 353065114 /nfs/dbraw/zinc/06/51/14/353065114.db2.gz SMJZNKMBBRMNKJ-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000422769439 295855199 /nfs/dbraw/zinc/85/51/99/295855199.db2.gz UVCBFTZUYQCQHV-YOEHRIQHSA-N 2 0 269.392 2.888 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000094875052 539974325 /nfs/dbraw/zinc/97/43/25/539974325.db2.gz YJBBGPQFKLLQOQ-LBPRGKRZSA-N 2 0 252.427 2.876 20 0 CFADRP Cc1ccsc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000094875053 539974380 /nfs/dbraw/zinc/97/43/80/539974380.db2.gz YJBBGPQFKLLQOQ-GFCCVEGCSA-N 2 0 252.427 2.876 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000154213655 188129629 /nfs/dbraw/zinc/12/96/29/188129629.db2.gz RGLYJJDQBRXZBA-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000154366638 188138180 /nfs/dbraw/zinc/13/81/80/188138180.db2.gz QGMPBFXFTPHBCJ-SJLPKXTDSA-N 2 0 289.467 2.833 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000234765787 539990082 /nfs/dbraw/zinc/99/00/82/539990082.db2.gz LGRAQOYUJXIKDC-TZMCWYRMSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000157065125 188294962 /nfs/dbraw/zinc/29/49/62/188294962.db2.gz PSZTUMFTWQJSOK-SWLSCSKDSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000157225848 188304193 /nfs/dbraw/zinc/30/41/93/188304193.db2.gz ZNOFHMHAEWFLMQ-KBPBESRZSA-N 2 0 276.399 2.831 20 0 CFADRP CCOc1cncc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000621357323 353335196 /nfs/dbraw/zinc/33/51/96/353335196.db2.gz LBJMDJVIRGVUSH-UHFFFAOYSA-N 2 0 291.439 2.836 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000157344693 188311055 /nfs/dbraw/zinc/31/10/55/188311055.db2.gz ZCAFTKYNDUEZNF-UHFFFAOYSA-N 2 0 260.425 2.987 20 0 CFADRP CCOc1cncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000621342853 353329439 /nfs/dbraw/zinc/32/94/39/353329439.db2.gz MAFINZUWONPXOU-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000235372786 539999197 /nfs/dbraw/zinc/99/91/97/539999197.db2.gz NBOMZFHDXRNRIB-RDJZCZTQSA-N 2 0 293.499 2.594 20 0 CFADRP CCOc1cncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000621723614 353406134 /nfs/dbraw/zinc/40/61/34/353406134.db2.gz MDDACMLSYLHNSC-UHFFFAOYSA-N 2 0 289.423 2.541 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422758966 282910939 /nfs/dbraw/zinc/91/09/39/282910939.db2.gz OMGMRFPYAJMDCF-HIFRSBDPSA-N 2 0 279.428 2.705 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000622005181 353464465 /nfs/dbraw/zinc/46/44/65/353464465.db2.gz ZWLOQYKRYXZYSH-DZGCQCFKSA-N 2 0 291.439 2.527 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623349184 353621485 /nfs/dbraw/zinc/62/14/85/353621485.db2.gz WBHOBKQXCWECJT-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623358664 353624778 /nfs/dbraw/zinc/62/47/78/353624778.db2.gz MBQTVXRFCLWJMI-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623372938 353628281 /nfs/dbraw/zinc/62/82/81/353628281.db2.gz MHQXWHSAEYNFCE-HOTGVXAUSA-N 3 0 295.515 2.959 20 0 CFADRP C[N@H+](CCN[C@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623378571 353629760 /nfs/dbraw/zinc/62/97/60/353629760.db2.gz HHQUYCIWJPDZRT-HNNXBMFYSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)CC1(C)C ZINC000623477481 353653136 /nfs/dbraw/zinc/65/31/36/353653136.db2.gz JGRCVUHTZPRQIG-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623399532 353634915 /nfs/dbraw/zinc/63/49/15/353634915.db2.gz PSRUMIHDSFXOTP-CQSZACIVSA-N 2 0 294.414 2.839 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623403316 353635451 /nfs/dbraw/zinc/63/54/51/353635451.db2.gz RMIDSPPOKYLTOE-DZGCQCFKSA-N 2 0 276.424 2.786 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428349 353641280 /nfs/dbraw/zinc/64/12/80/353641280.db2.gz HSJRNWWSKGGRIO-ZBFHGGJFSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623482171 353653556 /nfs/dbraw/zinc/65/35/56/353653556.db2.gz DZVXVMDNZUKMAW-ZNMIVQPWSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623454962 353649366 /nfs/dbraw/zinc/64/93/66/353649366.db2.gz VZXZQUBNXZRBOD-JYJNAYRXSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000675746634 540006795 /nfs/dbraw/zinc/00/67/95/540006795.db2.gz OBKYFOGKMOJFFD-HOTGVXAUSA-N 2 0 281.488 2.713 20 0 CFADRP COc1ccccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335340 353616381 /nfs/dbraw/zinc/61/63/81/353616381.db2.gz INSWBKAMYPUCMR-CQSZACIVSA-N 2 0 262.397 2.658 20 0 CFADRP COc1ccccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335339 353616797 /nfs/dbraw/zinc/61/67/97/353616797.db2.gz INSWBKAMYPUCMR-AWEZNQCLSA-N 2 0 262.397 2.658 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccs2)CC1(C)C ZINC000623338770 353618415 /nfs/dbraw/zinc/61/84/15/353618415.db2.gz SXEZXXJGNCPQED-GFCCVEGCSA-N 2 0 252.427 2.753 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC1(C)C ZINC000623503308 353658938 /nfs/dbraw/zinc/65/89/38/353658938.db2.gz UJQAARRYTJYYSI-RHSMWYFYSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@@H](NCC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC000623507076 353659892 /nfs/dbraw/zinc/65/98/92/353659892.db2.gz WQWGYWSTWPUTSF-OAHLLOKOSA-N 3 0 281.488 2.571 20 0 CFADRP C[NH+]1CC[C@@H](NC[C@H]2[N@H+](C)CCCC2(C)C)CC1(C)C ZINC000623510389 353660643 /nfs/dbraw/zinc/66/06/43/353660643.db2.gz VFJMXKMJVPSEJP-HUUCEWRRSA-N 2 0 281.488 2.569 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc21 ZINC000623529109 353665445 /nfs/dbraw/zinc/66/54/45/353665445.db2.gz VLUHPAGDPGDHJH-OAHLLOKOSA-N 2 0 286.423 2.536 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623551964 353669590 /nfs/dbraw/zinc/66/95/90/353669590.db2.gz PMYRDFJYJRNEBH-UONOGXRCSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562908 353672758 /nfs/dbraw/zinc/67/27/58/353672758.db2.gz HJCSXPNVPHAYAN-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000623648956 353694943 /nfs/dbraw/zinc/69/49/43/353694943.db2.gz FKFGMWWOQUALOE-HZPDHXFCSA-N 2 0 287.451 2.884 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623654510 353695503 /nfs/dbraw/zinc/69/55/03/353695503.db2.gz BGKSNDWZWKSKIG-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1C ZINC000623657749 353697883 /nfs/dbraw/zinc/69/78/83/353697883.db2.gz XYIGIOAJGWGMNU-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000623657416 353698098 /nfs/dbraw/zinc/69/80/98/353698098.db2.gz QEMGHPQDWANEHZ-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675763407 540008560 /nfs/dbraw/zinc/00/85/60/540008560.db2.gz NBNZMNJDBYXCQW-KGLIPLIRSA-N 2 0 294.414 2.913 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623887573 353748958 /nfs/dbraw/zinc/74/89/58/353748958.db2.gz GDCMRHHOMBTSEY-CYBMUJFWSA-N 2 0 279.453 2.842 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(C)sc1C ZINC000623889282 353749854 /nfs/dbraw/zinc/74/98/54/353749854.db2.gz JIGSZPRGVYRCIW-DZGCQCFKSA-N 2 0 284.469 2.718 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCCO1 ZINC000623894878 353751999 /nfs/dbraw/zinc/75/19/99/353751999.db2.gz DERKMAAHUTXJLZ-RRFJBIMHSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCCO1 ZINC000623894877 353752404 /nfs/dbraw/zinc/75/24/04/353752404.db2.gz DERKMAAHUTXJLZ-KKUMJFAQSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC000623959483 353769843 /nfs/dbraw/zinc/76/98/43/353769843.db2.gz RSMFTQWRXXYMLI-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP c1nc2c(s1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000623971992 353772856 /nfs/dbraw/zinc/77/28/56/353772856.db2.gz NQODHOYODWRWMA-AWEZNQCLSA-N 2 0 291.464 2.985 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCCO1 ZINC000624017006 353786388 /nfs/dbraw/zinc/78/63/88/353786388.db2.gz MKLKOIBREUHFCQ-XIRDDKMYSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000624007546 353782370 /nfs/dbraw/zinc/78/23/70/353782370.db2.gz YROIGVABDISVHB-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000624077260 353798960 /nfs/dbraw/zinc/79/89/60/353798960.db2.gz BXPDZODVIIVYIZ-YJBOKZPZSA-N 2 0 293.499 2.713 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121605 353810522 /nfs/dbraw/zinc/81/05/22/353810522.db2.gz YWGSNRYITXCMNW-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121555 353810777 /nfs/dbraw/zinc/81/07/77/353810777.db2.gz YAYLEJAOYMNXFT-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C12CCC2 ZINC000624121643 353811039 /nfs/dbraw/zinc/81/10/39/353811039.db2.gz ADBVWPXBTKROLT-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122573 353812154 /nfs/dbraw/zinc/81/21/54/353812154.db2.gz VWFGPNGOOFXTQQ-ARFHVFGLSA-N 2 0 282.472 2.900 20 0 CFADRP C/C=C\C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000624197767 353832442 /nfs/dbraw/zinc/83/24/42/353832442.db2.gz WLUPHABUBMVGGA-GXMNPTEKSA-N 2 0 262.397 2.854 20 0 CFADRP CCO[C@@H](C[NH+]1CCC(C[NH+](CC)CC)CC1)C1CC1 ZINC000625082426 353975728 /nfs/dbraw/zinc/97/57/28/353975728.db2.gz KKOMGVCAJHSZDP-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CN1CC[NH+](CC2CC[NH+]([C@@H]3CCC(C)(C)C3)CC2)CC1 ZINC000377617324 282945996 /nfs/dbraw/zinc/94/59/96/282945996.db2.gz ALUAMTRRWYFGTK-QGZVFWFLSA-N 2 0 293.499 2.525 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000625561847 354069970 /nfs/dbraw/zinc/06/99/70/354069970.db2.gz WUWVGHSNEZWGQP-DOTOQJQBSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1(F)F ZINC000625652733 354080660 /nfs/dbraw/zinc/08/06/60/354080660.db2.gz GBZZLFRBEKPJFX-UPJWGTAASA-N 2 0 260.372 2.694 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)C(C)C ZINC000626062913 354183221 /nfs/dbraw/zinc/18/32/21/354183221.db2.gz LDXQVHHCPSBJKP-KRWDZBQOSA-N 2 0 278.440 2.587 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](OC)C1CC1 ZINC000626063916 354184202 /nfs/dbraw/zinc/18/42/02/354184202.db2.gz VBUPAOHHMCAJBK-SFHVURJKSA-N 2 0 290.451 2.995 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423473891 283005585 /nfs/dbraw/zinc/00/55/85/283005585.db2.gz GYJDACRGHFBXLT-GDBMZVCRSA-N 2 0 262.372 2.935 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423545804 283007142 /nfs/dbraw/zinc/00/71/42/283007142.db2.gz PITNYKFPQBUAMN-YOKBYHGQSA-N 2 0 274.383 2.791 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCS1 ZINC000628182076 354462423 /nfs/dbraw/zinc/46/24/23/354462423.db2.gz BPYNICRNKYIDQC-HUUCEWRRSA-N 2 0 268.470 2.690 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000628201830 354474147 /nfs/dbraw/zinc/47/41/47/354474147.db2.gz XGRQTZOYDTYJSR-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](C[C@]3(C)CCCS3)C2)CC1 ZINC000628280029 354516924 /nfs/dbraw/zinc/51/69/24/354516924.db2.gz MHMSKHRMFRCAFF-HOTGVXAUSA-N 2 0 282.497 2.936 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@]3(C)CCCS3)C2)C1 ZINC000628295181 354524607 /nfs/dbraw/zinc/52/46/07/354524607.db2.gz DRPVUZMOFPBMOB-LSDHHAIUSA-N 2 0 268.470 2.690 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc1O ZINC000628425574 354585836 /nfs/dbraw/zinc/58/58/36/354585836.db2.gz PGOUFBUDOZULJD-OAHLLOKOSA-N 2 0 292.423 2.612 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000628477469 354599656 /nfs/dbraw/zinc/59/96/56/354599656.db2.gz XUBMZJMCEGNAGZ-FRRDWIJNSA-N 2 0 256.459 2.590 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000629529576 354832938 /nfs/dbraw/zinc/83/29/38/354832938.db2.gz HJTOSRCCYJQKKP-MRXNPFEDSA-N 2 0 278.440 2.990 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000629529541 354832965 /nfs/dbraw/zinc/83/29/65/354832965.db2.gz GLKZWDWJTDLSSY-OAHLLOKOSA-N 2 0 284.831 2.863 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000629530663 354834277 /nfs/dbraw/zinc/83/42/77/354834277.db2.gz NAFUIPPMJYHGTK-INIZCTEOSA-N 2 0 276.424 2.625 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)C1 ZINC000629395520 354801517 /nfs/dbraw/zinc/80/15/17/354801517.db2.gz DXTGECJBDSNKSG-AHCXZYCDSA-N 2 0 293.499 2.760 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000629400344 354803357 /nfs/dbraw/zinc/80/33/57/354803357.db2.gz UZUVIGWBXPDLSG-GOEBONIOSA-N 2 0 296.842 2.931 20 0 CFADRP CCC[C@@H]([NH2+]CCOCC[NH2+]C)C1CCCCC1 ZINC000629528985 354833205 /nfs/dbraw/zinc/83/32/05/354833205.db2.gz OMCDHOSPABXIMD-OAHLLOKOSA-N 2 0 256.434 2.561 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000629511894 354823741 /nfs/dbraw/zinc/82/37/41/354823741.db2.gz NFOMAZNCJBUXJG-ZDUSSCGKSA-N 2 0 261.413 2.548 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000629512385 354823856 /nfs/dbraw/zinc/82/38/56/354823856.db2.gz WAJVVYIFPGEDCQ-UHFFFAOYSA-N 2 0 275.440 2.945 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000629516596 354825320 /nfs/dbraw/zinc/82/53/20/354825320.db2.gz LLDLUAIZCHEUDD-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])CO2 ZINC000629515608 354825811 /nfs/dbraw/zinc/82/58/11/354825811.db2.gz UIXBRNPZFUIQOH-IMJJTQAJSA-N 2 0 274.408 2.548 20 0 CFADRP CC1(C)CC[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629519728 354826489 /nfs/dbraw/zinc/82/64/89/354826489.db2.gz HBFLIFQGXKUQAS-INIZCTEOSA-N 2 0 288.435 2.897 20 0 CFADRP CC(C)CC[C@H]([NH2+]CC1([NH3+])CCOCC1)C(C)(C)C ZINC000629521006 354827745 /nfs/dbraw/zinc/82/77/45/354827745.db2.gz NRSHKFXKQPLJSV-AWEZNQCLSA-N 2 0 270.461 2.935 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522224 354827975 /nfs/dbraw/zinc/82/79/75/354827975.db2.gz XYRYUTNOWHSWRH-SJORKVTESA-N 2 0 288.435 2.969 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCOCC1 ZINC000629523110 354828977 /nfs/dbraw/zinc/82/89/77/354828977.db2.gz FRHDPNHGMSKQIH-OAHLLOKOSA-N 2 0 294.826 2.815 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629524469 354829616 /nfs/dbraw/zinc/82/96/16/354829616.db2.gz MMTYJQQHZKQYKU-UKRRQHHQSA-N 2 0 274.408 2.641 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629528769 354831669 /nfs/dbraw/zinc/83/16/69/354831669.db2.gz IZLYTYJEYBUPHN-INIZCTEOSA-N 2 0 264.413 2.526 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000629529595 354832728 /nfs/dbraw/zinc/83/27/28/354832728.db2.gz HZINUDAOOBMZMH-KRWDZBQOSA-N 2 0 276.424 2.744 20 0 CFADRP CCCc1ccc([C@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629528859 354832863 /nfs/dbraw/zinc/83/28/63/354832863.db2.gz LIEZYFOINFNSGD-AWEZNQCLSA-N 2 0 264.413 2.526 20 0 CFADRP COC1(C[NH2+]CC2([NH3+])CCCCCC2)CCCC1 ZINC000629648619 354875627 /nfs/dbraw/zinc/87/56/27/354875627.db2.gz XMWXJNKGMXXGSY-UHFFFAOYSA-N 2 0 254.418 2.587 20 0 CFADRP CC(C)C[C@@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629654646 354879700 /nfs/dbraw/zinc/87/97/00/354879700.db2.gz OWYWIOMXQWDHDM-KRWDZBQOSA-N 2 0 290.451 2.914 20 0 CFADRP c1ccc2c(c1)C=C(C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)CO2 ZINC000629651906 354877480 /nfs/dbraw/zinc/87/74/80/354877480.db2.gz OFCLJGLRDBODFG-GOSISDBHSA-N 2 0 298.430 2.926 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000629532622 354834730 /nfs/dbraw/zinc/83/47/30/354834730.db2.gz JXWMAPUHKGBADB-WDEREUQCSA-N 2 0 277.387 2.873 20 0 CFADRP Cc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532421 354834809 /nfs/dbraw/zinc/83/48/09/354834809.db2.gz ZWEZLXWMJCMGPT-SJORKVTESA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000629532939 354834827 /nfs/dbraw/zinc/83/48/27/354834827.db2.gz ZGWAUYCMJFSHHH-CALCHBBNSA-N 2 0 295.430 2.975 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629534558 354834883 /nfs/dbraw/zinc/83/48/83/354834883.db2.gz AKRNFAXZZUWPFM-JFMONLCZSA-N 2 0 272.436 2.971 20 0 CFADRP CCc1nc(C(C)C)ccc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000629536445 354835705 /nfs/dbraw/zinc/83/57/05/354835705.db2.gz KXDVHQYBRCOJOA-TZMCWYRMSA-N 2 0 261.413 2.546 20 0 CFADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629536898 354835856 /nfs/dbraw/zinc/83/58/56/354835856.db2.gz GUDKYHBRKYVHFD-AWEZNQCLSA-N 2 0 270.804 2.746 20 0 CFADRP Cc1ccc([C@H]([NH2+]CCOCCC[NH3+])C2CCCC2)o1 ZINC000629541444 354839535 /nfs/dbraw/zinc/83/95/35/354839535.db2.gz ZVCYRDUUWQNICX-MRXNPFEDSA-N 2 0 280.412 2.774 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000629541220 354839619 /nfs/dbraw/zinc/83/96/19/354839619.db2.gz SHIWVSLTMFOPQG-NSHDSACASA-N 2 0 290.329 2.721 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629547554 354842569 /nfs/dbraw/zinc/84/25/69/354842569.db2.gz BWZMFOYJKGHXHK-KBPBESRZSA-N 2 0 269.392 2.964 20 0 CFADRP Cc1cnccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000629546930 354842655 /nfs/dbraw/zinc/84/26/55/354842655.db2.gz RBLRHTOBNBVADN-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629555894 354847243 /nfs/dbraw/zinc/84/72/43/354847243.db2.gz HZKABMAMNFJENV-LBPRGKRZSA-N 2 0 298.377 2.688 20 0 CFADRP C[C@H]([NH3+])CN1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000629582581 354850239 /nfs/dbraw/zinc/85/02/39/354850239.db2.gz VGAKQUZPQFSQIU-LOWVWBTDSA-N 2 0 297.240 2.974 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654264 354878619 /nfs/dbraw/zinc/87/86/19/354878619.db2.gz GZVQXZNPDZJXCM-SRVKXCTJSA-N 2 0 266.351 2.882 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585311 354851581 /nfs/dbraw/zinc/85/15/81/354851581.db2.gz QXJRIVAWFQOJKI-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCCC1 ZINC000629596445 354854880 /nfs/dbraw/zinc/85/48/80/354854880.db2.gz ZUGDEPYYHFFLJU-ZACQAIPSSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](CC1CCCCC1)C[N@H+](C)CCOCC[NH3+] ZINC000629667973 354884004 /nfs/dbraw/zinc/88/40/04/354884004.db2.gz YTIXTRYIXXAKKX-AWEZNQCLSA-N 2 0 256.434 2.500 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000629666006 354884242 /nfs/dbraw/zinc/88/42/42/354884242.db2.gz LSBDYEUKVOUNBD-XLAORIBOSA-N 2 0 270.420 2.722 20 0 CFADRP [NH3+][C@@H](Cc1ccccn1)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723276 354908641 /nfs/dbraw/zinc/90/86/41/354908641.db2.gz LWDUUQWXFWBODZ-SFHVURJKSA-N 2 0 279.387 2.701 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc([C@@H]([NH3+])CO)cc2)cc1F ZINC000629737654 354916696 /nfs/dbraw/zinc/91/66/96/354916696.db2.gz KXXQQOLQDHFSTD-HWPZZCPQSA-N 2 0 274.339 2.505 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667788330 540119384 /nfs/dbraw/zinc/11/93/84/540119384.db2.gz NUNZKFANTSVJNC-YALNPMBYSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccs3)c2)CC1 ZINC000630960405 355231255 /nfs/dbraw/zinc/23/12/55/355231255.db2.gz DTVNVFORZLGVHQ-UHFFFAOYSA-N 2 0 288.420 2.507 20 0 CFADRP FC(F)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000631039318 355260025 /nfs/dbraw/zinc/26/00/25/355260025.db2.gz DYOBPMMWTWHKJY-GFCCVEGCSA-N 2 0 281.350 2.593 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)COC2 ZINC000271881101 191386738 /nfs/dbraw/zinc/38/67/38/191386738.db2.gz PLSWRCWGAVSGQR-CYBMUJFWSA-N 2 0 272.392 2.629 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631063291 355271250 /nfs/dbraw/zinc/27/12/50/355271250.db2.gz AKLGKIMCUBYCNU-UHFFFAOYSA-N 2 0 283.366 2.841 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271893704 191394739 /nfs/dbraw/zinc/39/47/39/191394739.db2.gz SRZWDVCTZKJAOA-LBPRGKRZSA-N 2 0 250.411 2.969 20 0 CFADRP O=c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000631035824 355257941 /nfs/dbraw/zinc/25/79/41/355257941.db2.gz RGOUWBVGWFCJQZ-UHFFFAOYSA-N 2 0 297.402 2.673 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000631156194 355319902 /nfs/dbraw/zinc/31/99/02/355319902.db2.gz WOPKHWTYGYARMG-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP COc1cncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC000631078853 355279670 /nfs/dbraw/zinc/27/96/70/355279670.db2.gz HDWHBHCLZBRYCO-MQVJKMGUSA-N 2 0 289.423 2.504 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1F ZINC000631087002 355284340 /nfs/dbraw/zinc/28/43/40/355284340.db2.gz JDNGVZBSJQCORU-OAHLLOKOSA-N 2 0 282.403 2.581 20 0 CFADRP Cc1scc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC000631092247 355287463 /nfs/dbraw/zinc/28/74/63/355287463.db2.gz YAOCAIAUEHDCAG-UHFFFAOYSA-N 2 0 296.480 2.690 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CC1 ZINC000631195403 355342756 /nfs/dbraw/zinc/34/27/56/355342756.db2.gz GOJRXJLFALLLOB-RHSMWYFYSA-N 2 0 258.409 2.754 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)CC(C)C ZINC000669425305 540148389 /nfs/dbraw/zinc/14/83/89/540148389.db2.gz RTKFHNQHACFAGA-MRXNPFEDSA-N 2 0 270.461 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC000631568675 355491413 /nfs/dbraw/zinc/49/14/13/355491413.db2.gz CLXSPZGFAUKBJM-CXAGYDPISA-N 2 0 274.408 2.614 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631564278 355489497 /nfs/dbraw/zinc/48/94/97/355489497.db2.gz HVFVKJBRENLJDV-DLBZAZTESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631649828 355532380 /nfs/dbraw/zinc/53/23/80/355532380.db2.gz BDMFWAXAHBEXJV-KBXCAEBGSA-N 2 0 288.435 2.671 20 0 CFADRP COCc1csc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000668172061 540162989 /nfs/dbraw/zinc/16/29/89/540162989.db2.gz COFMLCUHGBTDIE-GDBMZVCRSA-N 2 0 294.464 2.811 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000631707704 355558417 /nfs/dbraw/zinc/55/84/17/355558417.db2.gz XQPFGLUVNOGCSO-WDEREUQCSA-N 2 0 267.442 2.832 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000631616258 355515504 /nfs/dbraw/zinc/51/55/04/355515504.db2.gz RSWJCNKYHOYFLK-JYJNAYRXSA-N 2 0 292.467 2.656 20 0 CFADRP c1ccc(SCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887392 355615223 /nfs/dbraw/zinc/61/52/23/355615223.db2.gz NFHGFANXHBKRCK-HOCLYGCPSA-N 2 0 276.449 2.853 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000631826064 355596340 /nfs/dbraw/zinc/59/63/40/355596340.db2.gz DEIPYVFVJZHFLH-QGZVFWFLSA-N 2 0 287.451 2.828 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000631827707 355597562 /nfs/dbraw/zinc/59/75/62/355597562.db2.gz UWZWKKVIAUQERP-BFHYXJOUSA-N 2 0 272.383 2.743 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000631837836 355601216 /nfs/dbraw/zinc/60/12/16/355601216.db2.gz GAPXNTPPUIIBIW-ZWNOBZJWSA-N 2 0 254.324 2.651 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000631838074 355601799 /nfs/dbraw/zinc/60/17/99/355601799.db2.gz ZSYBCIGFTHSEGC-QGZVFWFLSA-N 3 0 293.499 2.717 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000631840146 355603065 /nfs/dbraw/zinc/60/30/65/355603065.db2.gz QAIVCMXGNVLBKT-GXTWGEPZSA-N 2 0 287.432 2.837 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229247928 540176546 /nfs/dbraw/zinc/17/65/46/540176546.db2.gz PXVMNRFEZPWJIQ-HIFRSBDPSA-N 2 0 266.429 2.537 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887981 355614302 /nfs/dbraw/zinc/61/43/02/355614302.db2.gz VRDOELSEANMOAU-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887372 355614444 /nfs/dbraw/zinc/61/44/44/355614444.db2.gz QYFNHQKAAFXKIN-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887210 355614553 /nfs/dbraw/zinc/61/45/53/355614553.db2.gz PBDPCNCSJYMVDF-WBVHZDCISA-N 2 0 274.408 2.529 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887666 355614706 /nfs/dbraw/zinc/61/47/06/355614706.db2.gz POZIBTNNECEIHU-RHSMWYFYSA-N 2 0 297.402 2.514 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229333654 540178922 /nfs/dbraw/zinc/17/89/22/540178922.db2.gz VAOFXPVQTOZNAH-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000334672849 540193800 /nfs/dbraw/zinc/19/38/00/540193800.db2.gz PWXWAWKPEVJIGL-KRWDZBQOSA-N 2 0 273.424 2.554 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000247173878 540194176 /nfs/dbraw/zinc/19/41/76/540194176.db2.gz USWYSZPKJONURO-LRDDRELGSA-N 2 0 262.372 2.744 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000334878720 540195291 /nfs/dbraw/zinc/19/52/91/540195291.db2.gz IQONSSGJTJLPJE-JSGCOSHPSA-N 2 0 268.470 2.877 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000353520960 283134174 /nfs/dbraw/zinc/13/41/74/283134174.db2.gz QGLBGQRUCUHGGD-JYJNAYRXSA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)[C@H]2CCC[C@@H]21 ZINC000453243813 283135187 /nfs/dbraw/zinc/13/51/87/283135187.db2.gz ZUEZSADYROUNJS-AGIUHOORSA-N 2 0 260.372 2.884 20 0 CFADRP CN1CC[C@H]([NH2+][C@@H]2COCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453353938 540228370 /nfs/dbraw/zinc/22/83/70/540228370.db2.gz IABHLCXPPQAHRY-GVDBMIGSSA-N 2 0 288.435 2.837 20 0 CFADRP c1coc(-c2cc(CN3CC[C@@]4(C3)CCC[NH2+]C4)no2)c1 ZINC000334246740 540242912 /nfs/dbraw/zinc/24/29/12/540242912.db2.gz UXEMZIOMCKKJEA-INIZCTEOSA-N 2 0 287.363 2.510 20 0 CFADRP CCSCC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000273731649 192282348 /nfs/dbraw/zinc/28/23/48/192282348.db2.gz MWUTWLNZGJYDMW-KRWDZBQOSA-N 2 0 292.492 2.894 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000334846816 540253645 /nfs/dbraw/zinc/25/36/45/540253645.db2.gz QSHIQQLUSVXGDP-HUUCEWRRSA-N 2 0 273.355 2.733 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(F)cc2)C1 ZINC000568248602 290539792 /nfs/dbraw/zinc/53/97/92/290539792.db2.gz VNRGJWBJLPWSOZ-HUUCEWRRSA-N 2 0 280.387 2.844 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248546 290539848 /nfs/dbraw/zinc/53/98/48/290539848.db2.gz ULLVPAQQFWNMKZ-GZBFAFLISA-N 2 0 260.381 2.678 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000249034872 540280685 /nfs/dbraw/zinc/28/06/85/540280685.db2.gz TWQLONJKHOZNNJ-ROUUACIJSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339074103 540282115 /nfs/dbraw/zinc/28/21/15/540282115.db2.gz JDNJSXYKYGBBSR-SJORKVTESA-N 2 0 281.488 2.712 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000233782157 540301258 /nfs/dbraw/zinc/30/12/58/540301258.db2.gz AOLYMIDVPSJAKA-DLBZAZTESA-N 2 0 288.435 2.626 20 0 CFADRP C(C1CC[NH2+]CC1)[NH+]1CCC(C2CCCC2)CC1 ZINC000214645114 540359091 /nfs/dbraw/zinc/35/90/91/540359091.db2.gz GREZLSQZEXKRRF-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP Oc1ccc(F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1F ZINC000294672568 199127968 /nfs/dbraw/zinc/12/79/68/199127968.db2.gz MGNHDRPODFDKEK-UHFFFAOYSA-N 2 0 296.361 2.634 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147516500 540391016 /nfs/dbraw/zinc/39/10/16/540391016.db2.gz CUHSKDGPAAXFAK-GJZGRUSLSA-N 2 0 292.423 2.523 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(COC)CC2)C1 ZINC000449091809 283352320 /nfs/dbraw/zinc/35/23/20/283352320.db2.gz KUUJZXJJEASMBQ-HWOWSKLDSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000294854857 199215764 /nfs/dbraw/zinc/21/57/64/199215764.db2.gz PDHUHGILHOSTNA-HUUCEWRRSA-N 2 0 264.438 2.973 20 0 CFADRP C1=CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000151980419 540409896 /nfs/dbraw/zinc/40/98/96/540409896.db2.gz UHBAZOFQXUGUOV-UHFFFAOYSA-N 2 0 286.419 2.969 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000423334820 299286475 /nfs/dbraw/zinc/28/64/75/299286475.db2.gz GADSAVBOERTNFR-AWEZNQCLSA-N 2 0 258.409 2.862 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000093210076 540426440 /nfs/dbraw/zinc/42/64/40/540426440.db2.gz LREJVQGPZMHMIE-UONOGXRCSA-N 2 0 257.381 2.570 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c(C)n1 ZINC000678411991 540428168 /nfs/dbraw/zinc/42/81/68/540428168.db2.gz QNESVENSFAORSY-CQSZACIVSA-N 2 0 261.413 2.835 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000252221870 540431375 /nfs/dbraw/zinc/43/13/75/540431375.db2.gz ZGIHOBIYKZKICQ-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(O)cc2)C1 ZINC000237555093 540434351 /nfs/dbraw/zinc/43/43/51/540434351.db2.gz PBVYFEQMFPJCMM-GJZGRUSLSA-N 2 0 276.424 2.850 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000094470692 540450613 /nfs/dbraw/zinc/45/06/13/540450613.db2.gz KOOYLTDTRMDVTQ-GDBMZVCRSA-N 2 0 278.465 2.992 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)C[NH+]1CCCCC1 ZINC000094472982 540451162 /nfs/dbraw/zinc/45/11/62/540451162.db2.gz ATHCBVFTRXSIFF-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000161790045 540492995 /nfs/dbraw/zinc/49/29/95/540492995.db2.gz FHKKXXISJCEVTN-KKUMJFAQSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCN(C)c1ccccc1 ZINC000422739963 237153776 /nfs/dbraw/zinc/15/37/76/237153776.db2.gz MJUHUKOGWVELIX-GJZGRUSLSA-N 2 0 263.429 2.618 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422700595 237121805 /nfs/dbraw/zinc/12/18/05/237121805.db2.gz AIJXQXYRJAAZFM-CVEARBPZSA-N 2 0 268.445 2.975 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422700710 237123079 /nfs/dbraw/zinc/12/30/79/237123079.db2.gz HJHIWKXQUAWAKA-UHDSXZAQSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422704394 237123831 /nfs/dbraw/zinc/12/38/31/237123831.db2.gz KNVKCSVTYWJIQD-NEPJUHHUSA-N 2 0 252.377 2.819 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704423 237124900 /nfs/dbraw/zinc/12/49/00/237124900.db2.gz PPZXZUYCYRYVBG-LSDHHAIUSA-N 2 0 276.428 2.523 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnccc1N ZINC000422716202 237132721 /nfs/dbraw/zinc/13/27/21/237132721.db2.gz NDCLVYAKBWKYJU-OAHLLOKOSA-N 2 0 290.455 2.801 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722690 237138495 /nfs/dbraw/zinc/13/84/95/237138495.db2.gz YNMQUWBMKDCOQP-IAGOWNOFSA-N 3 0 281.488 2.750 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OCC ZINC000422767697 237183228 /nfs/dbraw/zinc/18/32/28/237183228.db2.gz YTNRIANICNNUQA-STQMWFEESA-N 2 0 292.423 2.743 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422770795 237188291 /nfs/dbraw/zinc/18/82/91/237188291.db2.gz XGWFLSZAKRDJNS-XGUBFFRZSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422771080 237188656 /nfs/dbraw/zinc/18/86/56/237188656.db2.gz XOSIFGJXAGDPRW-SMDDNHRTSA-N 2 0 297.240 2.927 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422744757 237158601 /nfs/dbraw/zinc/15/86/01/237158601.db2.gz UDKGTLXJTJXELW-ZBFHGGJFSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422744104 237160010 /nfs/dbraw/zinc/16/00/10/237160010.db2.gz SHALONGNFKCARB-ONIAQPFYSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000422744506 237160035 /nfs/dbraw/zinc/16/00/35/237160035.db2.gz KECYFSOZQZNUML-YIDVYQOGSA-N 2 0 268.445 2.545 20 0 CFADRP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422751143 237165511 /nfs/dbraw/zinc/16/55/11/237165511.db2.gz FFJNYEOHUQFVKY-BMFZPTHFSA-N 2 0 292.398 2.715 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2)c2ccccc21 ZINC000422751361 237166095 /nfs/dbraw/zinc/16/60/95/237166095.db2.gz CLOBMDHBUGVZJW-ATZDWAIDSA-N 2 0 296.414 2.572 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1 ZINC000422753462 237168197 /nfs/dbraw/zinc/16/81/97/237168197.db2.gz IIMQUEOZOXQRCH-YJBOKZPZSA-N 2 0 284.403 2.614 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000422754438 237168728 /nfs/dbraw/zinc/16/87/28/237168728.db2.gz FWHAZZXYXWDSNA-VHSXEESVSA-N 2 0 271.202 2.665 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)COCc1ccccc1 ZINC000422764738 237177721 /nfs/dbraw/zinc/17/77/21/237177721.db2.gz QDCXWYOSHIVAEJ-RYRKJORJSA-N 2 0 290.451 2.817 20 0 CFADRP c1cn(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC000422763979 237179439 /nfs/dbraw/zinc/17/94/39/237179439.db2.gz PDQCSWSKBOIUQR-SJPCQFCGSA-N 2 0 283.419 2.904 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000422763703 237179450 /nfs/dbraw/zinc/17/94/50/237179450.db2.gz UMCMEXUZVPYDEV-SGMGOOAPSA-N 2 0 250.361 2.864 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)CC[C@H]1[NH3+] ZINC000251759910 540550626 /nfs/dbraw/zinc/55/06/26/540550626.db2.gz LVWQUXVSNZLGDH-NVXWUHKLSA-N 2 0 276.424 2.741 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422773836 237193257 /nfs/dbraw/zinc/19/32/57/237193257.db2.gz ZJSKLUVBEFISFU-UKRRQHHQSA-N 2 0 266.816 2.990 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2coc3ccccc23)CC[C@H]1[NH3+] ZINC000251925881 540555021 /nfs/dbraw/zinc/55/50/21/540555021.db2.gz YVBNOYDIZIPHSB-IUODEOHRSA-N 2 0 258.365 2.992 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422778759 237197519 /nfs/dbraw/zinc/19/75/19/237197519.db2.gz DZESCJZCWGNPBV-DFNIBXOVSA-N 3 0 299.462 2.655 20 0 CFADRP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251929362 540555357 /nfs/dbraw/zinc/55/53/57/540555357.db2.gz YPLVPVAAFHZDDX-SMDDNHRTSA-N 2 0 268.401 2.587 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(F)cc1 ZINC000422780722 237198788 /nfs/dbraw/zinc/19/87/88/237198788.db2.gz DFZZZUPPWVLOTC-IOASZLSFSA-N 2 0 280.387 2.700 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC000422780281 237198905 /nfs/dbraw/zinc/19/89/05/237198905.db2.gz JHXNYWAOZZZHNP-CJNGLKHVSA-N 2 0 271.408 2.736 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422782503 237201156 /nfs/dbraw/zinc/20/11/56/237201156.db2.gz NFSCCSDTKMPRJY-BBRMVZONSA-N 2 0 280.387 2.702 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422782555 237201955 /nfs/dbraw/zinc/20/19/55/237201955.db2.gz GOZVSMPNKRUMNC-UONOGXRCSA-N 2 0 282.453 2.511 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422783247 237202458 /nfs/dbraw/zinc/20/24/58/237202458.db2.gz NWYRFNWOOWEULO-WQVCFCJDSA-N 2 0 262.397 2.658 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422781256 237203003 /nfs/dbraw/zinc/20/30/03/237203003.db2.gz LGHRRKYSHNJVTF-DNOWBOINSA-N 2 0 262.397 2.863 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000422785659 237204680 /nfs/dbraw/zinc/20/46/80/237204680.db2.gz NQINKGPZUDAYBX-RISCZKNCSA-N 2 0 270.804 2.745 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422783869 237205078 /nfs/dbraw/zinc/20/50/78/237205078.db2.gz OWWMVXBJPCRUMT-RCCFBDPRSA-N 2 0 287.451 2.511 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422783866 237205662 /nfs/dbraw/zinc/20/56/62/237205662.db2.gz OWWMVXBJPCRUMT-KZNAEPCWSA-N 2 0 287.451 2.511 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422783967 237206569 /nfs/dbraw/zinc/20/65/69/237206569.db2.gz LQCZNLQIBBMJOS-LSDHHAIUSA-N 2 0 287.432 2.822 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422791081 237211329 /nfs/dbraw/zinc/21/13/29/237211329.db2.gz YDRVUKMFZZJYKK-JSGCOSHPSA-N 2 0 252.789 2.600 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000422791139 237211451 /nfs/dbraw/zinc/21/14/51/237211451.db2.gz PXQYKHZFHWKHEN-HZPDHXFCSA-N 2 0 262.397 2.705 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422791366 237212979 /nfs/dbraw/zinc/21/29/79/237212979.db2.gz UYPMXQOGAKGCBH-KKUMJFAQSA-N 2 0 264.413 2.870 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792606 237214295 /nfs/dbraw/zinc/21/42/95/237214295.db2.gz XIDXUNOETIYLOK-IUCAKERBSA-N 2 0 291.226 2.516 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422818939 237245407 /nfs/dbraw/zinc/24/54/07/237245407.db2.gz LRAJKQZPHKKPST-WMZOPIPTSA-N 2 0 298.434 2.522 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000422820840 237250039 /nfs/dbraw/zinc/25/00/39/237250039.db2.gz SNRIDFGMJBJNCQ-UHFFFAOYSA-N 2 0 292.814 2.595 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422820322 237250316 /nfs/dbraw/zinc/25/03/16/237250316.db2.gz PXMYDEHCXNGZJO-SJPCQFCGSA-N 2 0 281.403 2.650 20 0 CFADRP Cc1cc(Br)cc(C)c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422823457 237251547 /nfs/dbraw/zinc/25/15/47/237251547.db2.gz LRFJIZLMGHZWGN-LLVKDONJSA-N 2 0 297.240 2.763 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415203 540562275 /nfs/dbraw/zinc/56/22/75/540562275.db2.gz KUCWLLPJXHMZDT-SJLPKXTDSA-N 2 0 288.435 2.920 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422826567 237255191 /nfs/dbraw/zinc/25/51/91/237255191.db2.gz QXEWTEVZERUFQB-OLZOCXBDSA-N 2 0 262.397 2.529 20 0 CFADRP Fc1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c[nH]c2c1 ZINC000422836375 237263242 /nfs/dbraw/zinc/26/32/42/237263242.db2.gz JVQJJOXUZHTLLN-YIONKMFJSA-N 2 0 287.382 2.722 20 0 CFADRP C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)C1C[NH2+]C1 ZINC000422835114 237261808 /nfs/dbraw/zinc/26/18/08/237261808.db2.gz IHVUXFQADDKPIE-OHUAYANFSA-N 2 0 262.372 2.647 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422806831 237230812 /nfs/dbraw/zinc/23/08/12/237230812.db2.gz NWGUKJYKGJKDAE-SJORKVTESA-N 2 0 287.451 2.689 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422806829 237230826 /nfs/dbraw/zinc/23/08/26/237230826.db2.gz NWGUKJYKGJKDAE-IAGOWNOFSA-N 2 0 287.451 2.689 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1C ZINC000252806809 540568351 /nfs/dbraw/zinc/56/83/51/540568351.db2.gz HUDRVPQNFJGMPB-KBPBESRZSA-N 2 0 258.409 2.953 20 0 CFADRP C[N@H+](C[C@@H]1CCOc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252823395 540568775 /nfs/dbraw/zinc/56/87/75/540568775.db2.gz BWOKVKMXFZKEKC-LSVZVQIISA-N 2 0 286.419 2.768 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422809719 237233835 /nfs/dbraw/zinc/23/38/35/237233835.db2.gz QHHYMJAGYZAJFS-CVEARBPZSA-N 2 0 262.397 2.583 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccsc1 ZINC000422807787 237234943 /nfs/dbraw/zinc/23/49/43/237234943.db2.gz NDKZLHWKSCVRCY-NSHDSACASA-N 2 0 275.421 2.804 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000422814648 237240054 /nfs/dbraw/zinc/24/00/54/237240054.db2.gz VTZIQYVKQUPADV-MJBXVCDLSA-N 2 0 272.396 2.649 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422855655 237275603 /nfs/dbraw/zinc/27/56/03/237275603.db2.gz CXKLTAXFHNPICI-WBVHZDCISA-N 2 0 276.424 2.871 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000669846503 540590879 /nfs/dbraw/zinc/59/08/79/540590879.db2.gz KVDYTGXKBZWART-HOTGVXAUSA-N 2 0 299.478 2.520 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000666952373 540595790 /nfs/dbraw/zinc/59/57/90/540595790.db2.gz TXUXNFUPXKDXQO-CYBMUJFWSA-N 2 0 268.763 2.711 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952423 540596551 /nfs/dbraw/zinc/59/65/51/540596551.db2.gz VYMSVIHRIGKCHK-DOTOQJQBSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000422872990 237292566 /nfs/dbraw/zinc/29/25/66/237292566.db2.gz JKOHPLAOMIEQAD-XHDPSFHLSA-N 2 0 279.453 2.785 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422838998 237264711 /nfs/dbraw/zinc/26/47/11/237264711.db2.gz PKXICYLUIBLJMR-BLLLJJGKSA-N 2 0 289.398 2.827 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC ZINC000666853970 540587461 /nfs/dbraw/zinc/58/74/61/540587461.db2.gz XMZUCYOBNXTIQW-HNNXBMFYSA-N 2 0 292.423 2.716 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000422849309 237273897 /nfs/dbraw/zinc/27/38/97/237273897.db2.gz LLCNYHGTDDLQKN-VXGBXAGGSA-N 2 0 252.377 2.819 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000422890468 237312532 /nfs/dbraw/zinc/31/25/32/237312532.db2.gz IHWUKIRMQATFHD-IXDOHACOSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000422892618 237317430 /nfs/dbraw/zinc/31/74/30/237317430.db2.gz YXWLSZXOUOMAIN-STQMWFEESA-N 2 0 267.442 2.552 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000414800501 283464135 /nfs/dbraw/zinc/46/41/35/283464135.db2.gz KXHNCZNCBLNXQX-LZWOXQAQSA-N 2 0 274.408 2.660 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000422896740 237320074 /nfs/dbraw/zinc/32/00/74/237320074.db2.gz AULHCJLIKCRGCJ-XWTMOSNGSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1-n1cccn1 ZINC000422882156 237302537 /nfs/dbraw/zinc/30/25/37/237302537.db2.gz AIIPZVQUPUXRGZ-CABCVRRESA-N 2 0 284.407 2.665 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000422939049 237368591 /nfs/dbraw/zinc/36/85/91/237368591.db2.gz FLOXRXQVXXUBDU-HUUCEWRRSA-N 2 0 254.418 2.585 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000422918630 237344851 /nfs/dbraw/zinc/34/48/51/237344851.db2.gz HXDKCKXAXGACJC-RISCZKNCSA-N 2 0 270.804 2.745 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422917153 237344884 /nfs/dbraw/zinc/34/48/84/237344884.db2.gz CQNZAJMOBNTDTG-SWLSCSKDSA-N 2 0 268.376 2.620 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422918593 237346056 /nfs/dbraw/zinc/34/60/56/237346056.db2.gz HRUSONFTDAMPOM-BPLDGKMQSA-N 2 0 282.815 2.745 20 0 CFADRP COCC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000679368371 540625957 /nfs/dbraw/zinc/62/59/57/540625957.db2.gz JAJICNMXUBVOLJ-HOCLYGCPSA-N 2 0 294.439 2.986 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(Cl)c1 ZINC000422918927 237349042 /nfs/dbraw/zinc/34/90/42/237349042.db2.gz IZYGELWEEDWMEE-NWDGAFQWSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422966932 237399372 /nfs/dbraw/zinc/39/93/72/237399372.db2.gz AWPSPSCVBAHBKF-VCBZYWHSSA-N 2 0 298.430 2.871 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422949091 237376553 /nfs/dbraw/zinc/37/65/53/237376553.db2.gz SRXVLVHYMCLCGY-RDJZCZTQSA-N 2 0 284.403 2.936 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc21 ZINC000422946684 237378974 /nfs/dbraw/zinc/37/89/74/237378974.db2.gz XDIKUMLCGYIAGU-DLBZAZTESA-N 2 0 286.350 2.939 20 0 CFADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422951956 237384137 /nfs/dbraw/zinc/38/41/37/237384137.db2.gz AYXIGMVVOCZUSL-INMHGKMJSA-N 2 0 292.471 2.728 20 0 CFADRP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422958488 237386694 /nfs/dbraw/zinc/38/66/94/237386694.db2.gz YAYLEFCCPISVSN-PBWFPOADSA-N 2 0 282.790 2.894 20 0 CFADRP CCOc1ncccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422964662 237393960 /nfs/dbraw/zinc/39/39/60/237393960.db2.gz MHUZUZZTMJLOOC-HZPDHXFCSA-N 2 0 283.375 2.715 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422981725 237414918 /nfs/dbraw/zinc/41/49/18/237414918.db2.gz PDRLPZIRWIJYFP-GUDVDZBRSA-N 2 0 284.447 2.912 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423009030 237435071 /nfs/dbraw/zinc/43/50/71/237435071.db2.gz BQUIEYPRCDUJKI-ZWKOTPCHSA-N 2 0 272.436 2.899 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc(F)c(F)c2F)CC1 ZINC000423030894 237458445 /nfs/dbraw/zinc/45/84/45/237458445.db2.gz KDJNVQUORDJPFO-UHFFFAOYSA-N 2 0 286.341 2.754 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCc4ccccc4C3)ccc12 ZINC000297550200 200224966 /nfs/dbraw/zinc/22/49/66/200224966.db2.gz POSXVFSSOFXKEK-KRWDZBQOSA-N 2 0 277.371 2.981 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423088776 237512682 /nfs/dbraw/zinc/51/26/82/237512682.db2.gz SRTSEQOHSOEVFC-RYUDHWBXSA-N 2 0 259.397 2.702 20 0 CFADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000258904222 540675224 /nfs/dbraw/zinc/67/52/24/540675224.db2.gz MRFUFZBSOIWUIF-HNNXBMFYSA-N 2 0 254.377 2.881 20 0 CFADRP C[NH+](C)Cc1cccc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000297847059 200290757 /nfs/dbraw/zinc/29/07/57/200290757.db2.gz OHFKLLGROIAUNI-UHFFFAOYSA-N 2 0 273.424 2.787 20 0 CFADRP Fc1ccc(SCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000380809743 540691503 /nfs/dbraw/zinc/69/15/03/540691503.db2.gz YLTVICZCHVBCMG-OKILXGFUSA-N 2 0 294.439 2.849 20 0 CFADRP C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000670158137 540694411 /nfs/dbraw/zinc/69/44/11/540694411.db2.gz MLUYNANVUGKRQV-RBSFLKMASA-N 2 0 282.472 2.900 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423282718 283542626 /nfs/dbraw/zinc/54/26/26/283542626.db2.gz WUNCBSMJKBGLHF-YPMHNXCESA-N 2 0 250.386 2.510 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C1CCSCC1 ZINC000423467394 299308819 /nfs/dbraw/zinc/30/88/19/299308819.db2.gz IVACZXMWHQSZOA-OUCADQQQSA-N 2 0 256.459 2.625 20 0 CFADRP COC[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000177465580 189053340 /nfs/dbraw/zinc/05/33/40/189053340.db2.gz LTMPJEIWBYGJQJ-LSDHHAIUSA-N 2 0 264.413 2.522 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000336723334 296016204 /nfs/dbraw/zinc/01/62/04/296016204.db2.gz WAERXJBFZXXPIG-OAHLLOKOSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCC1 ZINC000178173393 189095269 /nfs/dbraw/zinc/09/52/69/189095269.db2.gz UUIKAXAFJDTEIY-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000384139795 540778804 /nfs/dbraw/zinc/77/88/04/540778804.db2.gz YKBXTVDXKLDRBG-CXAGYDPISA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178413642 189114348 /nfs/dbraw/zinc/11/43/48/189114348.db2.gz DHPJPHGEPXPQAA-VBKZILBWSA-N 2 0 294.464 2.561 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000054240106 540781758 /nfs/dbraw/zinc/78/17/58/540781758.db2.gz LHLREDQUWJEMCI-CQSZACIVSA-N 2 0 266.816 2.814 20 0 CFADRP CCCOc1ncccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000154735830 540786256 /nfs/dbraw/zinc/78/62/56/540786256.db2.gz HZNJTRRDWJXUOH-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790152 283575584 /nfs/dbraw/zinc/57/55/84/283575584.db2.gz PCTGEYSWGIYSDD-MSOLQXFVSA-N 2 0 287.451 2.642 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000423025781 296020902 /nfs/dbraw/zinc/02/09/02/296020902.db2.gz MLYVJTTXOQKSIT-CABCVRRESA-N 2 0 276.424 2.841 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@@H]1CCc2ccccc2C1 ZINC000435880399 240364318 /nfs/dbraw/zinc/36/43/18/240364318.db2.gz ITJVMAWJAKXIMB-QGZVFWFLSA-N 2 0 260.425 2.865 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000333326862 283584122 /nfs/dbraw/zinc/58/41/22/283584122.db2.gz VLPLBASPZDFMON-ILXRZTDVSA-N 2 0 276.428 2.891 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000385731751 540819026 /nfs/dbraw/zinc/81/90/26/540819026.db2.gz OSWFHOMMCHLMQY-CORIIIEPSA-N 2 0 264.800 2.818 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](c2ccsc2)O1 ZINC000178976284 189159171 /nfs/dbraw/zinc/15/91/71/189159171.db2.gz ZUCQWIZQNJJIHX-IUODEOHRSA-N 2 0 280.437 2.510 20 0 CFADRP COc1ccc(C[N@H+](CCC[NH3+])[C@@H](C)C2CC2)c(OC)c1 ZINC000414734467 540828449 /nfs/dbraw/zinc/82/84/49/540828449.db2.gz DZORCCDBCLAWPL-ZDUSSCGKSA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000414912203 540830334 /nfs/dbraw/zinc/83/03/34/540830334.db2.gz HMTGIUBJUSHWDX-NWANDNLSSA-N 2 0 292.423 2.581 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCCOC2)C1 ZINC000674301691 540820083 /nfs/dbraw/zinc/82/00/83/540820083.db2.gz FQEZQRATUPPRQV-IXDOHACOSA-N 2 0 280.456 2.752 20 0 CFADRP C([C@@H]1CCC[N@@H+]([C@H]2CCCOC2)C1)[NH+]1CCCCCC1 ZINC000674303409 540821058 /nfs/dbraw/zinc/82/10/58/540821058.db2.gz WNMUUCRTCUVUOP-IRXDYDNUSA-N 2 0 280.456 2.753 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423095844 238198224 /nfs/dbraw/zinc/19/82/24/238198224.db2.gz NEEYXWJPBHURQA-FVQBIDKESA-N 2 0 296.842 2.930 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423097907 238199482 /nfs/dbraw/zinc/19/94/82/238199482.db2.gz RLOVTRWIHHNVFX-XIRDDKMYSA-N 2 0 279.472 2.501 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2sccc2c1 ZINC000423121857 238212883 /nfs/dbraw/zinc/21/28/83/238212883.db2.gz JKYYYJOKEBYXFJ-CQSZACIVSA-N 2 0 278.421 2.745 20 0 CFADRP FC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423122588 238213093 /nfs/dbraw/zinc/21/30/93/238213093.db2.gz KBYKBPAQYOQMQI-MJBXVCDLSA-N 2 0 254.393 2.779 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414930040 540830866 /nfs/dbraw/zinc/83/08/66/540830866.db2.gz SFQNQNPLXQODTI-RYUDHWBXSA-N 2 0 268.788 2.708 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414933571 540831998 /nfs/dbraw/zinc/83/19/98/540831998.db2.gz XASGINKEVJPULG-KFWWJZLASA-N 2 0 264.800 2.667 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423255971 283587184 /nfs/dbraw/zinc/58/71/84/283587184.db2.gz BCVRAXDTCWMIAB-WCQYABFASA-N 2 0 250.386 2.738 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415088360 540834300 /nfs/dbraw/zinc/83/43/00/540834300.db2.gz XIIBFAGCXUANOM-CABCVRRESA-N 2 0 276.424 2.606 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)CCCO1 ZINC000415109410 540834484 /nfs/dbraw/zinc/83/44/84/540834484.db2.gz LUJCSEMKTOIOON-IBGZPJMESA-N 2 0 296.414 2.903 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)CCCO1 ZINC000415109412 540834521 /nfs/dbraw/zinc/83/45/21/540834521.db2.gz LUJCSEMKTOIOON-LJQANCHMSA-N 2 0 296.414 2.903 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423112739 238206642 /nfs/dbraw/zinc/20/66/42/238206642.db2.gz KFDZCUAIOFHAGU-ZBFHGGJFSA-N 2 0 275.371 2.709 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]3[NH3+])C2)cc1F ZINC000423112258 238206829 /nfs/dbraw/zinc/20/68/29/238206829.db2.gz JMBSMZRZYINRJS-JURCDPSOSA-N 2 0 278.371 2.550 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179103681 189170121 /nfs/dbraw/zinc/17/01/21/189170121.db2.gz ORZWHFJGVORXDU-RYUDHWBXSA-N 2 0 279.815 2.870 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2)cc1F ZINC000423117289 238208155 /nfs/dbraw/zinc/20/81/55/238208155.db2.gz UQNHSEBWTOZPJC-XCCSTKFXSA-N 2 0 280.387 2.796 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]3C[NH3+])C2)cc1F ZINC000423116788 238209240 /nfs/dbraw/zinc/20/92/40/238209240.db2.gz RNAXOUVSXSFTOA-KQTLUZQSSA-N 2 0 292.398 2.797 20 0 CFADRP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000423118481 238210398 /nfs/dbraw/zinc/21/03/98/238210398.db2.gz ATFPGFXVZSSJKY-KEVQOFRZSA-N 2 0 299.462 2.522 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCC2CCOCC2)c2ccccc21 ZINC000423143704 238228845 /nfs/dbraw/zinc/22/88/45/238228845.db2.gz DUYPAJXGTNDCCT-IRXDYDNUSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000423143978 238230342 /nfs/dbraw/zinc/23/03/42/238230342.db2.gz FUHWAHPXXGSGMD-SRVKXCTJSA-N 2 0 250.411 2.591 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423148083 238232971 /nfs/dbraw/zinc/23/29/71/238232971.db2.gz FFLGLEIKYTVCDU-IJEWVQPXSA-N 2 0 296.842 2.787 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670266976 540847615 /nfs/dbraw/zinc/84/76/15/540847615.db2.gz LCRWFFTZTYBUJF-HZPDHXFCSA-N 2 0 283.504 2.532 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000580551025 540848066 /nfs/dbraw/zinc/84/80/66/540848066.db2.gz RRQKTFPOPCCZDQ-CZUORRHYSA-N 2 0 262.397 2.611 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423156066 238240176 /nfs/dbraw/zinc/24/01/76/238240176.db2.gz RQXFNJZBCZEJFQ-SWLSCSKDSA-N 2 0 289.448 2.542 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423137065 238225003 /nfs/dbraw/zinc/22/50/03/238225003.db2.gz HMMIYRNJPYSBJV-GJZGRUSLSA-N 2 0 275.440 2.775 20 0 CFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423173782 238253012 /nfs/dbraw/zinc/25/30/12/238253012.db2.gz AAJLTMSEBHMILB-UXXRCYHCSA-N 2 0 260.381 2.646 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1C ZINC000423178568 238254778 /nfs/dbraw/zinc/25/47/78/238254778.db2.gz LBHRTOCVOXYUGV-KRWDZBQOSA-N 2 0 289.467 2.558 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125364048 540854640 /nfs/dbraw/zinc/85/46/40/540854640.db2.gz XYVXGSVGJKFZDW-JQHSSLGASA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158365 238242203 /nfs/dbraw/zinc/24/22/03/238242203.db2.gz WOBDSSUIYJBZLB-NXEZZACHSA-N 2 0 274.767 2.573 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000423167324 238248821 /nfs/dbraw/zinc/24/88/21/238248821.db2.gz SCBCNNDDEJRTLU-QWRGUYRKSA-N 2 0 285.229 2.707 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423213205 238280382 /nfs/dbraw/zinc/28/03/82/238280382.db2.gz MZVADWSCJITXHQ-KGLIPLIRSA-N 2 0 272.392 2.953 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000387340967 540862346 /nfs/dbraw/zinc/86/23/46/540862346.db2.gz VFFXGKCVDZHXAK-KRWDZBQOSA-N 2 0 292.467 2.689 20 0 CFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1C(C)(C)C ZINC000423208341 238278159 /nfs/dbraw/zinc/27/81/59/238278159.db2.gz SYLVUWREYXBDLG-HNNXBMFYSA-N 2 0 289.467 2.540 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423208532 238279259 /nfs/dbraw/zinc/27/92/59/238279259.db2.gz YXUGBWGQUNPGJN-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC[NH3+])cnn1-c1cc(C)ccc1C ZINC000423192160 238266204 /nfs/dbraw/zinc/26/62/04/238266204.db2.gz PQVPILUJMOQBQR-AWEZNQCLSA-N 2 0 286.423 2.797 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423224933 238288926 /nfs/dbraw/zinc/28/89/26/238288926.db2.gz KPIBCBKPSYGYDH-ZENOOKHLSA-N 2 0 280.387 2.620 20 0 CFADRP CC1(C)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211936821 540887746 /nfs/dbraw/zinc/88/77/46/540887746.db2.gz BHBHUGUIMOEQAS-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423231072 238293890 /nfs/dbraw/zinc/29/38/90/238293890.db2.gz KPXLTOVWZKCBJR-WHXUTIOJSA-N 2 0 254.399 2.677 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166391719 540895058 /nfs/dbraw/zinc/89/50/58/540895058.db2.gz BYDQBQGGJSSXGF-HZPDHXFCSA-N 2 0 292.398 2.811 20 0 CFADRP COCCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423214342 238283502 /nfs/dbraw/zinc/28/35/02/238283502.db2.gz OQQJHGLZQOAUHO-RHSMWYFYSA-N 2 0 294.414 2.883 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000423219243 238284505 /nfs/dbraw/zinc/28/45/05/238284505.db2.gz SZBAKBKUVIGHAQ-SGMGOOAPSA-N 2 0 250.386 2.935 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423218680 238285506 /nfs/dbraw/zinc/28/55/06/238285506.db2.gz VTBGWZYEJONEHJ-CABCVRRESA-N 2 0 298.434 2.737 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423244178 238303920 /nfs/dbraw/zinc/30/39/20/238303920.db2.gz HKFGDOKSMXXIKT-NEPJUHHUSA-N 2 0 284.350 2.938 20 0 CFADRP c1ccc([C@@H]2CC[C@@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423246443 238306046 /nfs/dbraw/zinc/30/60/46/238306046.db2.gz KBGRHHYFWFUZDT-USXIJHARSA-N 2 0 258.409 2.912 20 0 CFADRP COc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000179697682 189214538 /nfs/dbraw/zinc/21/45/38/189214538.db2.gz WWOLQNJMBCDBTN-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423256224 238313012 /nfs/dbraw/zinc/31/30/12/238313012.db2.gz BMYAWXWATFPSSV-HOTGVXAUSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)c1ccccc1 ZINC000156176559 540918257 /nfs/dbraw/zinc/91/82/57/540918257.db2.gz OXQZDUQORJVERE-CVEARBPZSA-N 2 0 289.467 2.831 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000353634232 540914875 /nfs/dbraw/zinc/91/48/75/540914875.db2.gz VCJCPTHIDAITJS-CVEARBPZSA-N 2 0 291.439 2.546 20 0 CFADRP CCCN1CC[C@@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000389204480 540936074 /nfs/dbraw/zinc/93/60/74/540936074.db2.gz AQQRQPKIIMCGHG-MRXNPFEDSA-N 2 0 269.392 2.809 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cn1 ZINC000156712115 540937284 /nfs/dbraw/zinc/93/72/84/540937284.db2.gz FOSNQHPYZDXLCW-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415089825 299319023 /nfs/dbraw/zinc/31/90/23/299319023.db2.gz XCTHSSDFUBENHQ-GJZGRUSLSA-N 2 0 260.425 2.942 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423275908 238334043 /nfs/dbraw/zinc/33/40/43/238334043.db2.gz MHPUINFQKPUHKA-DJIMGWMZSA-N 2 0 275.440 2.900 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423309405 238364285 /nfs/dbraw/zinc/36/42/85/238364285.db2.gz ZMYBVEBCYMTXPJ-SFHVURJKSA-N 2 0 266.388 2.779 20 0 CFADRP CCC[NH+]1CCC(NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000157359811 540950330 /nfs/dbraw/zinc/95/03/30/540950330.db2.gz DICZRRJBLVAAFZ-MRXNPFEDSA-N 2 0 281.488 2.715 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000423289196 238348073 /nfs/dbraw/zinc/34/80/73/238348073.db2.gz ANRKOUAUJSUCKL-KGLIPLIRSA-N 2 0 299.418 2.831 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000423288520 238348977 /nfs/dbraw/zinc/34/89/77/238348977.db2.gz SNOCASATCWBKRS-UONOGXRCSA-N 2 0 261.413 2.743 20 0 CFADRP Cc1cc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(C)n1 ZINC000357680639 540955771 /nfs/dbraw/zinc/95/57/71/540955771.db2.gz MHVMIYPEBJZGMQ-DYVFJYSZSA-N 2 0 284.407 2.619 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000358124548 540959940 /nfs/dbraw/zinc/95/99/40/540959940.db2.gz HLPDLTHZBDQLCV-ZBFHGGJFSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423299511 238357460 /nfs/dbraw/zinc/35/74/60/238357460.db2.gz BYPCJLQMINCDKN-ZDUSSCGKSA-N 2 0 267.376 2.619 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)c2ccccc12 ZINC000423302438 238358449 /nfs/dbraw/zinc/35/84/49/238358449.db2.gz JLDZJYYWZOMTBQ-LBPRGKRZSA-N 2 0 270.376 2.718 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301928 238359668 /nfs/dbraw/zinc/35/96/68/238359668.db2.gz ISIGXGCIKBRMFE-DLBZAZTESA-N 2 0 258.409 2.597 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000158207187 540968883 /nfs/dbraw/zinc/96/88/83/540968883.db2.gz BXVYXHXIUZVRKW-KRWDZBQOSA-N 3 0 295.515 2.818 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423328713 238381233 /nfs/dbraw/zinc/38/12/33/238381233.db2.gz ARIITZBIBNJHCH-HNNXBMFYSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423336493 238389019 /nfs/dbraw/zinc/38/90/19/238389019.db2.gz HAAIUFMOEXYVQX-SJKOYZFVSA-N 2 0 274.383 2.958 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[NH3+])cc1OC ZINC000423316543 238369003 /nfs/dbraw/zinc/36/90/03/238369003.db2.gz BUMUEITYWFDIEP-CHWSQXEVSA-N 2 0 280.412 2.524 20 0 CFADRP COCC[NH2+]CCN[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423320290 238372287 /nfs/dbraw/zinc/37/22/87/238372287.db2.gz DKVZAHAZFJBMML-SNVBAGLBSA-N 2 0 291.222 2.880 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000423335889 238389168 /nfs/dbraw/zinc/38/91/68/238389168.db2.gz SHORDBJHENYRAH-ZDUSSCGKSA-N 2 0 274.408 2.757 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000158014264 540965510 /nfs/dbraw/zinc/96/55/10/540965510.db2.gz BZVQRSUCLUUFFL-NSHDSACASA-N 2 0 281.469 2.622 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423349036 238398175 /nfs/dbraw/zinc/39/81/75/238398175.db2.gz VRXDRQXSGPQGJC-IAOVAPTHSA-N 2 0 256.393 2.688 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423341897 238390519 /nfs/dbraw/zinc/39/05/19/238390519.db2.gz KNYHKJGHAIHCIG-LPHOPBHVSA-N 3 0 299.462 2.549 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423347443 238394908 /nfs/dbraw/zinc/39/49/08/238394908.db2.gz QMRPTRJIDQMPJA-LBPRGKRZSA-N 2 0 276.428 2.517 20 0 CFADRP C[C@@H]([NH2+]CCCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000052092043 541011515 /nfs/dbraw/zinc/01/15/15/541011515.db2.gz PVHYTUJNLSZMFI-OAHLLOKOSA-N 2 0 276.424 2.775 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000393436936 541018237 /nfs/dbraw/zinc/01/82/37/541018237.db2.gz YUJYEVIRYXRGRY-PMPSAXMXSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000335236433 283639636 /nfs/dbraw/zinc/63/96/36/283639636.db2.gz HHORAVIPOZWJIB-IRXDYDNUSA-N 2 0 292.398 2.544 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181483303 189298049 /nfs/dbraw/zinc/29/80/49/189298049.db2.gz RGTNETGRDVAVNL-GDBMZVCRSA-N 2 0 276.424 2.700 20 0 CFADRP CC[C@@H]1CN(Cc2cc(C)ccc2F)CC[C@@H]1[NH3+] ZINC000220233850 541048125 /nfs/dbraw/zinc/04/81/25/541048125.db2.gz SLKRVYQPAIOYFE-DOMZBBRYSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)oc1C ZINC000423554592 238526959 /nfs/dbraw/zinc/52/69/59/238526959.db2.gz WXHCNEGKDDAQET-ZGKBOVNRSA-N 2 0 262.397 2.935 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000182442537 189324003 /nfs/dbraw/zinc/32/40/03/189324003.db2.gz ZRSWXXHAMDSDPM-GOSISDBHSA-N 2 0 290.451 2.867 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccncc1 ZINC000671750114 541074887 /nfs/dbraw/zinc/07/48/87/541074887.db2.gz VOMXDTNCYRUSSV-MWQQHZPXSA-N 2 0 273.424 2.648 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184224597 189380235 /nfs/dbraw/zinc/38/02/35/189380235.db2.gz GXPGUALGVYHSAX-UHFFFAOYSA-N 2 0 297.487 2.524 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000184460474 189386682 /nfs/dbraw/zinc/38/66/82/189386682.db2.gz HLNCANPCXFKEQC-CKEIUWERSA-N 2 0 293.430 2.946 20 0 CFADRP [NH3+]C1(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCCC1 ZINC000666802882 541145309 /nfs/dbraw/zinc/14/53/09/541145309.db2.gz LIIKAQOEHVRPOE-DLBZAZTESA-N 2 0 287.451 2.731 20 0 CFADRP CC1(C[NH2+]C[C@@H]2CCOc3ccccc32)CC[NH2+]CC1 ZINC000666840431 541150306 /nfs/dbraw/zinc/15/03/06/541150306.db2.gz MZSSOIJNNPKZCC-AWEZNQCLSA-N 2 0 274.408 2.532 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nccc2ccccc21 ZINC000666937603 541163911 /nfs/dbraw/zinc/16/39/11/541163911.db2.gz AKKAEMCNNIWAPX-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666952264 541165884 /nfs/dbraw/zinc/16/58/84/541165884.db2.gz NIWYYDQEEGWUGD-GFCCVEGCSA-N 2 0 279.453 2.672 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c2ncccc12 ZINC000666952291 541165929 /nfs/dbraw/zinc/16/59/29/541165929.db2.gz OTTGBJWSGSUYBJ-OAHLLOKOSA-N 2 0 285.366 2.606 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666952159 541165969 /nfs/dbraw/zinc/16/59/69/541165969.db2.gz HZYKMLSDBGCROW-GDBMZVCRSA-N 2 0 258.409 2.912 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666953715 541166311 /nfs/dbraw/zinc/16/63/11/541166311.db2.gz GDKHQMFTAMWHBF-ILXRZTDVSA-N 2 0 250.430 2.935 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)C2 ZINC000666954183 541166659 /nfs/dbraw/zinc/16/66/59/541166659.db2.gz RGCBGYJLEAFBIJ-GJZGRUSLSA-N 2 0 276.811 2.539 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc2cccnc12 ZINC000666953911 541166728 /nfs/dbraw/zinc/16/67/28/541166728.db2.gz KVLYPGBKEWIVMM-MRXNPFEDSA-N 2 0 281.403 2.775 20 0 CFADRP Cc1nn(C(C)C)cc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993762 541170897 /nfs/dbraw/zinc/17/08/97/541170897.db2.gz HRASBCYOSJRCSB-HNNXBMFYSA-N 2 0 276.428 2.537 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995372 541171545 /nfs/dbraw/zinc/17/15/45/541171545.db2.gz LSGCMIFECAVCKW-HNNXBMFYSA-N 2 0 279.472 2.514 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996836 541171980 /nfs/dbraw/zinc/17/19/80/541171980.db2.gz HZSQAKKIOUJNBT-OAHLLOKOSA-N 2 0 262.372 2.898 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996800 541172050 /nfs/dbraw/zinc/17/20/50/541172050.db2.gz GHFIUGLANYREFW-INIZCTEOSA-N 2 0 274.408 2.597 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C)C[NH+](C)C ZINC000425944949 239142462 /nfs/dbraw/zinc/14/24/62/239142462.db2.gz ZLGXBSBPGNWDCY-TXCZRRACSA-N 2 0 260.425 2.966 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000667039174 541177801 /nfs/dbraw/zinc/17/78/01/541177801.db2.gz KECUNKRJLXWAFR-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000667040053 541178518 /nfs/dbraw/zinc/17/85/18/541178518.db2.gz WUHDHFWPUONJSP-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP CN(Cc1cccc(OC(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000220777112 541227767 /nfs/dbraw/zinc/22/77/67/541227767.db2.gz CUFBLPOIIFGRGZ-CYBMUJFWSA-N 2 0 288.313 2.754 20 0 CFADRP COCC(C)(C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000426409038 239220608 /nfs/dbraw/zinc/22/06/08/239220608.db2.gz FTLVEOYADZZHAZ-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cc(NC[C@H](CC(C)C)[NH+]2CCOCC2)cc[nH+]1 ZINC000302208264 201397705 /nfs/dbraw/zinc/39/77/05/201397705.db2.gz AXMACBLAOTZBFO-INIZCTEOSA-N 2 0 277.412 2.549 20 0 CFADRP C[N@@H+](Cc1ccc(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC000667597618 541266204 /nfs/dbraw/zinc/26/62/04/541266204.db2.gz UGNCMTIXYIRXOT-UHFFFAOYSA-N 2 0 286.341 2.878 20 0 CFADRP CO[C@H](C)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000667663847 541283216 /nfs/dbraw/zinc/28/32/16/541283216.db2.gz YABVICRXZQMSBD-CQSZACIVSA-N 2 0 288.395 2.513 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428030315 239361469 /nfs/dbraw/zinc/36/14/69/239361469.db2.gz HTDWWXWFTXVIGU-IRXDYDNUSA-N 2 0 258.409 2.611 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432417858 240001613 /nfs/dbraw/zinc/00/16/13/240001613.db2.gz XODQPQPNSREYRB-LMPOIIKSSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3ccccc23)CCCO1 ZINC000432849073 240058763 /nfs/dbraw/zinc/05/87/63/240058763.db2.gz ZAFDDOVDGDWBMC-OAHLLOKOSA-N 2 0 299.418 2.570 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433065399 240091839 /nfs/dbraw/zinc/09/18/39/240091839.db2.gz CLGROIUGQVRQHO-VYDXJSESSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000435379774 240305359 /nfs/dbraw/zinc/30/53/59/240305359.db2.gz KTQBBRQNRGRGST-AWEZNQCLSA-N 2 0 290.411 2.783 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435391546 240309295 /nfs/dbraw/zinc/30/92/95/240309295.db2.gz FRIJDZAOTQXSFQ-ZDUSSCGKSA-N 2 0 256.349 2.727 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435388633 240310045 /nfs/dbraw/zinc/31/00/45/240310045.db2.gz IABHFGVPBGPYTI-HIFRSBDPSA-N 2 0 294.414 2.554 20 0 CFADRP CC[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CCO1 ZINC000435043519 240284312 /nfs/dbraw/zinc/28/43/12/240284312.db2.gz ZHVKLGLECNHLPM-YQQAZPJKSA-N 2 0 290.407 2.740 20 0 CFADRP CC[N@H+](CCOc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435622833 240331248 /nfs/dbraw/zinc/33/12/48/240331248.db2.gz AVMLBFGZXVFPSK-HNNXBMFYSA-N 2 0 280.387 2.669 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442804260 241003419 /nfs/dbraw/zinc/00/34/19/241003419.db2.gz VZMQFTJYPYXQMU-XJKSGUPXSA-N 2 0 271.408 2.640 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000673756749 541512381 /nfs/dbraw/zinc/51/23/81/541512381.db2.gz JINSZKFMWSRAKW-NVXWUHKLSA-N 2 0 291.439 2.575 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000673716451 541507110 /nfs/dbraw/zinc/50/71/10/541507110.db2.gz XPXHZLAYMKRWNG-MAUKXSAKSA-N 2 0 289.467 2.915 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884021 241333728 /nfs/dbraw/zinc/33/37/28/241333728.db2.gz LAXKGWKSRVQQFB-CQSZACIVSA-N 2 0 280.456 2.656 20 0 CFADRP CCc1ncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000446887290 241337337 /nfs/dbraw/zinc/33/73/37/241337337.db2.gz QNZICMCZKZKNRF-UHFFFAOYSA-N 2 0 279.453 2.670 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000089140477 299366490 /nfs/dbraw/zinc/36/64/90/299366490.db2.gz TXIHIFSSESYTHR-NJZAAPMLSA-N 2 0 250.361 2.994 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCOCC[NH+](C)C ZINC000447592737 241389694 /nfs/dbraw/zinc/38/96/94/241389694.db2.gz NKEAUIZFLQBTRX-QGZVFWFLSA-N 2 0 296.430 2.561 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C1CCCCCC1 ZINC000447598753 241391248 /nfs/dbraw/zinc/39/12/48/241391248.db2.gz VZAYRVOXRSTMMO-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]1C[N@H+](C/C=C/C[NH+]2C[C@@H](C)[C@H](C)C2)C[C@H]1C ZINC000674493480 541570368 /nfs/dbraw/zinc/57/03/68/541570368.db2.gz IKPMNEWXIPDREK-LWHLLYOBSA-N 2 0 250.430 2.718 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]3O)CC2)C1 ZINC000449737929 242126406 /nfs/dbraw/zinc/12/64/06/242126406.db2.gz VXQOMFITAXKRKW-UOVPBQLFSA-N 2 0 294.483 2.780 20 0 CFADRP CCc1cc(CCC[N@H+](C)C2CC[NH+](C(C)C)CC2)on1 ZINC000450340289 242364855 /nfs/dbraw/zinc/36/48/55/242364855.db2.gz UYXHMHVFFIFHSO-UHFFFAOYSA-N 2 0 293.455 2.974 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1COc2ccccc21 ZINC000415086431 296113868 /nfs/dbraw/zinc/11/38/68/296113868.db2.gz SEJCASLVLMJSSH-WOICTCIZSA-N 2 0 274.408 2.658 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000422713492 299382616 /nfs/dbraw/zinc/38/26/16/299382616.db2.gz PVRGXTNHKNJQFY-QSPRXWTASA-N 2 0 258.409 2.910 20 0 CFADRP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414753492 284023259 /nfs/dbraw/zinc/02/32/59/284023259.db2.gz DSYPMTSKNLZSDQ-HLLBOEOZSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422753179 296116492 /nfs/dbraw/zinc/11/64/92/296116492.db2.gz FTKRBZNXMIWUOA-ARFHVFGLSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCCOC1 ZINC000355068178 296117855 /nfs/dbraw/zinc/11/78/55/296117855.db2.gz QDNLOYRZKNKDDL-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000675743452 541687274 /nfs/dbraw/zinc/68/72/74/541687274.db2.gz KKZTZLZCKXCKAI-HNNXBMFYSA-N 2 0 281.488 2.713 20 0 CFADRP C[C@@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000675762552 541689810 /nfs/dbraw/zinc/68/98/10/541689810.db2.gz UBEXLVUSRRPHNR-BFYDXBDKSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675765727 541690071 /nfs/dbraw/zinc/69/00/71/541690071.db2.gz OGKYLBWFGITJBK-NXHRZFHOSA-N 2 0 293.499 2.713 20 0 CFADRP CC[NH+]1CCC(N[C@H]2CCOc3c(OC)cccc32)CC1 ZINC000675730927 541685295 /nfs/dbraw/zinc/68/52/95/541685295.db2.gz XJLWAGLQUAMYSX-HNNXBMFYSA-N 2 0 290.407 2.593 20 0 CFADRP COC1CCN(CC[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000675776912 541692131 /nfs/dbraw/zinc/69/21/31/541692131.db2.gz PPKJJGMLPWSRCU-KBXCAEBGSA-N 2 0 288.435 2.935 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675778915 541693239 /nfs/dbraw/zinc/69/32/39/541693239.db2.gz BDKMGVPOKVSYPL-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccsc1 ZINC000453054412 243378161 /nfs/dbraw/zinc/37/81/61/243378161.db2.gz BUCLPHIOIWMCSV-ZBFHGGJFSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000453059337 243379938 /nfs/dbraw/zinc/37/99/38/243379938.db2.gz MRAHPVUTVZPJFI-HOTGVXAUSA-N 2 0 290.455 2.509 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)C(C)(C)C ZINC000453092730 243398342 /nfs/dbraw/zinc/39/83/42/243398342.db2.gz NYYYNKIAEOKVES-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccc2ccccc2c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000675885017 541702963 /nfs/dbraw/zinc/70/29/63/541702963.db2.gz DFWDQSAEVARVRT-HZPDHXFCSA-N 2 0 266.388 2.799 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccncn2)CC1 ZINC000453131988 243421393 /nfs/dbraw/zinc/42/13/93/243421393.db2.gz PTWPFPJXLNVBKX-HNNXBMFYSA-N 2 0 290.455 2.885 20 0 CFADRP c1cc(C2CCCC2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000675895478 541704674 /nfs/dbraw/zinc/70/46/74/541704674.db2.gz LRLDKZQNBJQJKV-ROUUACIJSA-N 2 0 270.420 2.995 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000675897747 541705192 /nfs/dbraw/zinc/70/51/92/541705192.db2.gz YLLOBWVWUFWMJB-FUHWJXTLSA-N 2 0 287.451 2.669 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000675897621 541705300 /nfs/dbraw/zinc/70/53/00/541705300.db2.gz KOOOKNALCJSPOG-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccc2[nH]c(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)nc2c1 ZINC000675924484 541709356 /nfs/dbraw/zinc/70/93/56/541709356.db2.gz JRRAMFQMMVTGOZ-ZDUSSCGKSA-N 2 0 286.423 2.691 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675926597 541709979 /nfs/dbraw/zinc/70/99/79/541709979.db2.gz SLPOLPMOKQZLID-QAPCUYQASA-N 2 0 290.451 2.564 20 0 CFADRP C[C@H]([NH2+]CCOc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000675928074 541710145 /nfs/dbraw/zinc/71/01/45/541710145.db2.gz IFGJTHZGVLKZFZ-LBPRGKRZSA-N 2 0 298.377 2.664 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(F)cc2F)CC1 ZINC000675929369 541710660 /nfs/dbraw/zinc/71/06/60/541710660.db2.gz ZMRCXILSXQUECR-UHFFFAOYSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)[C@H]1CC[NH2+]C1 ZINC000423121586 299395579 /nfs/dbraw/zinc/39/55/79/299395579.db2.gz JCOYYHSZKNMWMA-ATZCPNFKSA-N 2 0 270.829 2.976 20 0 CFADRP C[C@H](CCSc1ccccc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000676250702 541737357 /nfs/dbraw/zinc/73/73/57/541737357.db2.gz VBAPSBIWDHPEFV-RBSFLKMASA-N 2 0 276.449 2.709 20 0 CFADRP [NH3+]C1CCC([NH2+]CCc2ccc(Cl)s2)CC1 ZINC000226356600 189773420 /nfs/dbraw/zinc/77/34/20/189773420.db2.gz FFOGKLFLGXWHHH-UHFFFAOYSA-N 2 0 258.818 2.804 20 0 CFADRP C[C@@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000423392677 296153230 /nfs/dbraw/zinc/15/32/30/296153230.db2.gz LPQZINZYCVSJNM-XWIAVFTESA-N 2 0 283.419 2.570 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000331364443 203768041 /nfs/dbraw/zinc/76/80/41/203768041.db2.gz BVZFMHDWGYUKHD-QJPTWQEYSA-N 2 0 279.453 2.800 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425514 245174272 /nfs/dbraw/zinc/17/42/72/245174272.db2.gz MECRWRVPFOKPQX-OAHLLOKOSA-N 2 0 296.418 2.666 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459424681 245175053 /nfs/dbraw/zinc/17/50/53/245175053.db2.gz JHGUMRUVLJBIEQ-UHFFFAOYSA-N 2 0 266.816 2.814 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000459369247 245158822 /nfs/dbraw/zinc/15/88/22/245158822.db2.gz GDYJMHNAQLXUSR-ZIAGYGMSSA-N 2 0 279.428 2.831 20 0 CFADRP Cn1cncc1CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000459400108 245164353 /nfs/dbraw/zinc/16/43/53/245164353.db2.gz WGDZPEZHBVKGFT-UHFFFAOYSA-N 2 0 275.783 2.895 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CCc2ccc(Cl)cc2)CCCN1C ZINC000459479211 245193448 /nfs/dbraw/zinc/19/34/48/245193448.db2.gz JZFSXJIVJPXSEE-IUODEOHRSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@H](O)CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459489612 245198538 /nfs/dbraw/zinc/19/85/38/245198538.db2.gz WZUATJYBNHSBKD-HNNXBMFYSA-N 2 0 299.418 2.518 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459658312 245260707 /nfs/dbraw/zinc/26/07/07/245260707.db2.gz PGXSAEUNGHDXFI-LNCBFAARSA-N 2 0 274.383 2.898 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459658309 245260834 /nfs/dbraw/zinc/26/08/34/245260834.db2.gz PGXSAEUNGHDXFI-GZIXRCOHSA-N 2 0 274.383 2.898 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC000459734154 245290529 /nfs/dbraw/zinc/29/05/29/245290529.db2.gz OFNKOOLAMQPITC-ZDUSSCGKSA-N 2 0 250.361 2.647 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459743918 245297659 /nfs/dbraw/zinc/29/76/59/245297659.db2.gz XFWDJUJHAGRUDP-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000459794372 245328940 /nfs/dbraw/zinc/32/89/40/245328940.db2.gz UNMLEUONONHRON-LSDHHAIUSA-N 2 0 297.446 2.957 20 0 CFADRP COc1cc(F)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459793253 245330020 /nfs/dbraw/zinc/33/00/20/245330020.db2.gz TWIIHNMMOQYVNO-CYBMUJFWSA-N 2 0 280.387 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1nc2c(s1)CCCC2 ZINC000331753280 204125780 /nfs/dbraw/zinc/12/57/80/204125780.db2.gz HJGBLZQCHANUNJ-SDDRHHMPSA-N 2 0 279.453 2.800 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423399175 299421899 /nfs/dbraw/zinc/42/18/99/299421899.db2.gz USJYSVBOGUBWKG-IHRRRGAJSA-N 2 0 261.413 2.673 20 0 CFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC2=CCCCC2)CC1 ZINC000450366174 296181167 /nfs/dbraw/zinc/18/11/67/296181167.db2.gz RNDZZAJHMXTALW-MRXNPFEDSA-N 2 0 294.483 2.902 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000020093855 372230188 /nfs/dbraw/zinc/23/01/88/372230188.db2.gz KITZZYPDRBRJBV-SFHVURJKSA-N 2 0 289.467 2.753 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000032120996 372431319 /nfs/dbraw/zinc/43/13/19/372431319.db2.gz PYTVALNHKFEZLI-UHFFFAOYSA-N 2 0 274.364 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037643741 372678662 /nfs/dbraw/zinc/67/86/62/372678662.db2.gz VGHALWGAKSYKBP-CYBMUJFWSA-N 2 0 297.240 2.881 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000037643753 372678879 /nfs/dbraw/zinc/67/88/79/372678879.db2.gz CFQBPDOVHWGAAQ-CYBMUJFWSA-N 2 0 284.350 2.719 20 0 CFADRP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)s1 ZINC000037645051 372681425 /nfs/dbraw/zinc/68/14/25/372681425.db2.gz KFBYOWWZAIYLKZ-LBPRGKRZSA-N 2 0 252.427 2.742 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649106 372684919 /nfs/dbraw/zinc/68/49/19/372684919.db2.gz ZQSNJFWOCBAGEP-KGLIPLIRSA-N 2 0 274.408 2.830 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000037771404 372704356 /nfs/dbraw/zinc/70/43/56/372704356.db2.gz OJPAONUDHJOTED-WWTUQBGBSA-N 2 0 274.408 2.971 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(O)cc1)C[NH+]1CCCCC1 ZINC000037997472 372756591 /nfs/dbraw/zinc/75/65/91/372756591.db2.gz BPXNVUIHIQPPEW-CQSZACIVSA-N 2 0 262.397 2.604 20 0 CFADRP C[NH2+]C[C@H]1CCCN([C@H](C)c2c(F)cccc2F)C1 ZINC000040592081 372785426 /nfs/dbraw/zinc/78/54/26/372785426.db2.gz DDYVLQGNUMQQAZ-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000333285141 205185714 /nfs/dbraw/zinc/18/57/14/205185714.db2.gz NDZZFAIKKVVWRL-UYSNPLJNSA-N 2 0 259.397 2.782 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(F)ccc1F ZINC000045663270 373026200 /nfs/dbraw/zinc/02/62/00/373026200.db2.gz KFUTYLSVLAPPGY-LLVKDONJSA-N 2 0 256.340 2.957 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000045663154 373027671 /nfs/dbraw/zinc/02/76/71/373027671.db2.gz BMJGVRSQBWOKFR-LLVKDONJSA-N 2 0 256.340 2.957 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CCCC[NH+](C)C ZINC000045598413 373022892 /nfs/dbraw/zinc/02/28/92/373022892.db2.gz ZQCNQLDAVDJUGQ-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP Clc1ccc(CC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000049332672 373288596 /nfs/dbraw/zinc/28/85/96/373288596.db2.gz WYTOHOJOMUWYJV-UHFFFAOYSA-N 2 0 266.816 2.958 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243022 373508461 /nfs/dbraw/zinc/50/84/61/373508461.db2.gz VFEPSXMOZIXQJC-CVEARBPZSA-N 2 0 260.425 2.857 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243025 373508783 /nfs/dbraw/zinc/50/87/83/373508783.db2.gz VFEPSXMOZIXQJC-JKSUJKDBSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@@]1(C[NH+]2CCC(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000062911050 373772367 /nfs/dbraw/zinc/77/23/67/373772367.db2.gz NJEPLKLZDATVMP-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000062038329 373742922 /nfs/dbraw/zinc/74/29/22/373742922.db2.gz ZJPHGTFPNULAAE-RJCAOGMDSA-N 2 0 276.399 2.972 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063158915 373788132 /nfs/dbraw/zinc/78/81/32/373788132.db2.gz KZWOBBQKGNAECQ-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000063158916 373789203 /nfs/dbraw/zinc/78/92/03/373789203.db2.gz RQMZPDCTUTXVHV-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000289503899 197381160 /nfs/dbraw/zinc/38/11/60/197381160.db2.gz DTAIAONFIJXFDJ-QGZVFWFLSA-N 2 0 287.451 2.740 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000070074213 374121866 /nfs/dbraw/zinc/12/18/66/374121866.db2.gz GAAAOLJVEBBVJZ-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000070149763 374130050 /nfs/dbraw/zinc/13/00/50/374130050.db2.gz JGTYFUFGCHFUGG-CQSZACIVSA-N 2 0 282.815 2.922 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1F ZINC000070148723 374130622 /nfs/dbraw/zinc/13/06/22/374130622.db2.gz ULSBXVXEYMIJHC-CQSZACIVSA-N 2 0 250.361 2.837 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000070344263 374168662 /nfs/dbraw/zinc/16/86/62/374168662.db2.gz KJUUCSFPBMRZOT-ZNMIVQPWSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571479485 383698524 /nfs/dbraw/zinc/69/85/24/383698524.db2.gz ZIZDBXMBVDCSCO-AWEZNQCLSA-N 2 0 288.435 2.787 20 0 CFADRP CN(Cc1nc2c(s1)CCCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000677802614 541907205 /nfs/dbraw/zinc/90/72/05/541907205.db2.gz XBYGAYIIZRQJOJ-CYBMUJFWSA-N 2 0 293.480 2.796 20 0 CFADRP COCCC1(C[NH2+]C[C@H](C)C[NH+](C)C)CCCCC1 ZINC000491595882 246085154 /nfs/dbraw/zinc/08/51/54/246085154.db2.gz FHQHGAHEEIKWHF-HNNXBMFYSA-N 2 0 270.461 2.761 20 0 CFADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000678138061 541960353 /nfs/dbraw/zinc/96/03/53/541960353.db2.gz ATUIROXTSFIOJK-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333596 374805010 /nfs/dbraw/zinc/80/50/10/374805010.db2.gz MNAISJZWMVRPGR-JTQLQIEISA-N 2 0 258.818 2.962 20 0 CFADRP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000088164064 374835469 /nfs/dbraw/zinc/83/54/69/374835469.db2.gz DCZYSUUZWXVQKW-GOOCMWNKSA-N 2 0 292.398 2.939 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000089749201 374944321 /nfs/dbraw/zinc/94/43/21/374944321.db2.gz TVTPXKPVGKKDBJ-GFCCVEGCSA-N 2 0 252.789 2.771 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1Br ZINC000089749223 374945032 /nfs/dbraw/zinc/94/50/32/374945032.db2.gz ZETQUOUOZADJRD-LBPRGKRZSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749440 374945129 /nfs/dbraw/zinc/94/51/29/374945129.db2.gz XDBLGPKMMQSUNX-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP CC[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000090585418 375021158 /nfs/dbraw/zinc/02/11/58/375021158.db2.gz OTRGTRGCLNJLRT-FGTMMUONSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)CC[N@@H+]1C ZINC000090721622 375025657 /nfs/dbraw/zinc/02/56/57/375025657.db2.gz AFMKUGNNSUPJFG-YPMHNXCESA-N 2 0 290.436 2.711 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+](C)C)n1-c1ccccc1 ZINC000092128982 375091559 /nfs/dbraw/zinc/09/15/59/375091559.db2.gz RUWMFLGSHKTVPM-UHFFFAOYSA-N 2 0 286.423 2.612 20 0 CFADRP Cc1ncsc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381319 375106103 /nfs/dbraw/zinc/10/61/03/375106103.db2.gz KGWZAZHSDFMDDZ-UHFFFAOYSA-N 2 0 267.442 2.615 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2nccs2)CC1 ZINC000091729221 375059022 /nfs/dbraw/zinc/05/90/22/375059022.db2.gz XPDZDHXEUFCFGH-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000093488161 375254433 /nfs/dbraw/zinc/25/44/33/375254433.db2.gz DGAFJJBEHRUVHY-IXDOHACOSA-N 2 0 273.424 2.525 20 0 CFADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491528 375254518 /nfs/dbraw/zinc/25/45/18/375254518.db2.gz VZALLHFSFUBBLM-HZSPNIEDSA-N 2 0 279.453 2.852 20 0 CFADRP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c2ccccc2n1 ZINC000093873139 375325596 /nfs/dbraw/zinc/32/55/96/375325596.db2.gz XGPFYAZQTQJSFY-UHFFFAOYSA-N 2 0 271.408 2.960 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccco1 ZINC000093514816 375262180 /nfs/dbraw/zinc/26/21/80/375262180.db2.gz NIQMBGZQBPKJEN-UONOGXRCSA-N 2 0 250.386 2.723 20 0 CFADRP C[N@@H+](Cc1cc2ccccc2o1)CC1CC[NH2+]CC1 ZINC000094010739 375335704 /nfs/dbraw/zinc/33/57/04/375335704.db2.gz ZWDXYFHIDRUICA-UHFFFAOYSA-N 2 0 258.365 2.864 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094070334 375338009 /nfs/dbraw/zinc/33/80/09/375338009.db2.gz WNKQISVBMAQRCZ-UHFFFAOYSA-N 2 0 276.424 2.633 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070341 375338497 /nfs/dbraw/zinc/33/84/97/375338497.db2.gz MWSKVBXRIPQCNM-LBPRGKRZSA-N 2 0 298.377 2.856 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CCN(C4CC4)C3)ccc2n1 ZINC000097861578 375585813 /nfs/dbraw/zinc/58/58/13/375585813.db2.gz GZAJUEVHIUHRLV-INIZCTEOSA-N 2 0 281.403 2.870 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCn3ccnc3)ccc2n1 ZINC000097861524 375586582 /nfs/dbraw/zinc/58/65/82/375586582.db2.gz RYAOVUMEDDOESU-UHFFFAOYSA-N 2 0 266.348 2.530 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000511024321 247202159 /nfs/dbraw/zinc/20/21/59/247202159.db2.gz CGURQGMNVFQJMS-KRWDZBQOSA-N 2 0 288.435 2.844 20 0 CFADRP COc1ccc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000507208149 247169708 /nfs/dbraw/zinc/16/97/08/247169708.db2.gz GMGKUWNYVMWTLF-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP COCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103142958 375717246 /nfs/dbraw/zinc/71/72/46/375717246.db2.gz LWKKKSKMJLOPPA-UHFFFAOYSA-N 2 0 290.451 2.867 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000678584385 542044235 /nfs/dbraw/zinc/04/42/35/542044235.db2.gz USJBUMCAAWXEQY-LRDDRELGSA-N 2 0 292.398 2.969 20 0 CFADRP COC[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512329812 247211653 /nfs/dbraw/zinc/21/16/53/247211653.db2.gz IGFKLBXCRIFQEY-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000678599266 542049125 /nfs/dbraw/zinc/04/91/25/542049125.db2.gz XMFFCSQFLSWJIM-GDBMZVCRSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000106385230 375797456 /nfs/dbraw/zinc/79/74/56/375797456.db2.gz JDRNDWADNZAHIE-PREGVCBESA-N 2 0 282.472 2.732 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](C)CO)CC1)CC(C)C ZINC000678634371 542056545 /nfs/dbraw/zinc/05/65/45/542056545.db2.gz GLQFLFZEHGKQLS-MRXNPFEDSA-N 2 0 284.488 2.695 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000112698027 375948285 /nfs/dbraw/zinc/94/82/85/375948285.db2.gz MBMBSBKSUPFHLD-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000113511960 376020054 /nfs/dbraw/zinc/02/00/54/376020054.db2.gz PSEJYLQTRWJYRL-CQSZACIVSA-N 2 0 269.392 2.618 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514106 376020926 /nfs/dbraw/zinc/02/09/26/376020926.db2.gz XWFKKULYTJLNNX-MRXNPFEDSA-N 2 0 276.424 2.647 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000678819732 542076754 /nfs/dbraw/zinc/07/67/54/542076754.db2.gz WHFOATZRJLVJRC-UHFFFAOYSA-N 2 0 293.480 2.796 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCC(C)CC1 ZINC000119065308 376346280 /nfs/dbraw/zinc/34/62/80/376346280.db2.gz BQASYFTYIMMXSV-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000118448919 376299030 /nfs/dbraw/zinc/29/90/30/376299030.db2.gz XKBNEQOKQJCOLY-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000119206433 376373680 /nfs/dbraw/zinc/37/36/80/376373680.db2.gz NOJRAUOUDIDCIK-OWCLPIDISA-N 2 0 286.419 2.769 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000119932395 376508098 /nfs/dbraw/zinc/50/80/98/376508098.db2.gz WZVUTJBRQPCOFW-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP CCC(CC)C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120346335 376597908 /nfs/dbraw/zinc/59/79/08/376597908.db2.gz NZOQTNYGPSWBIZ-GASCZTMLSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccnc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000120888337 376715795 /nfs/dbraw/zinc/71/57/95/376715795.db2.gz NXBWQHRNYDYQQO-INIZCTEOSA-N 2 0 271.408 2.868 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121060861 376755257 /nfs/dbraw/zinc/75/52/57/376755257.db2.gz KTCWCLNUWYGWMM-DLBZAZTESA-N 2 0 289.467 2.529 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)n1 ZINC000678930399 542094562 /nfs/dbraw/zinc/09/45/62/542094562.db2.gz ISNWFHHNAODBAI-CYBMUJFWSA-N 2 0 259.397 2.611 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)O ZINC000679014761 542109179 /nfs/dbraw/zinc/10/91/79/542109179.db2.gz AFCVZBQHUGBTDK-CYBMUJFWSA-N 2 0 268.445 2.533 20 0 CFADRP CC[NH+](CC)CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093496048 284605234 /nfs/dbraw/zinc/60/52/34/284605234.db2.gz GAAPBALPNHYTNB-CVEARBPZSA-N 2 0 269.477 2.619 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000121681658 376884179 /nfs/dbraw/zinc/88/41/79/376884179.db2.gz NKVWRUYNEVIQDI-JKIFEVAISA-N 2 0 294.414 2.913 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCC2)[C@H](C)C1 ZINC000122994555 376942528 /nfs/dbraw/zinc/94/25/28/376942528.db2.gz DZIXPHHRGBGPPT-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000123653946 376965163 /nfs/dbraw/zinc/96/51/63/376965163.db2.gz IJXKXKYTCPFLNW-MRXNPFEDSA-N 2 0 264.413 2.679 20 0 CFADRP Cc1nccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124783016 377087240 /nfs/dbraw/zinc/08/72/40/377087240.db2.gz WYBLBBRYWIOAFR-BBWFWOEESA-N 2 0 291.439 2.597 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125887619 377198856 /nfs/dbraw/zinc/19/88/56/377198856.db2.gz ZSVMIWJVYYMHFB-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125264918 377135422 /nfs/dbraw/zinc/13/54/22/377135422.db2.gz ALLBJIXBBGJXJI-FMKPAKJESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cncs1 ZINC000125340938 377145241 /nfs/dbraw/zinc/14/52/41/377145241.db2.gz MZJFQMDPBXNFTF-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C12CCC2 ZINC000125496697 377162759 /nfs/dbraw/zinc/16/27/59/377162759.db2.gz ACRYRFXITSRTPF-HRCADAONSA-N 2 0 280.456 2.750 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000126128148 377213834 /nfs/dbraw/zinc/21/38/34/377213834.db2.gz MBXSALGOPTZSBK-OAGGEKHMSA-N 2 0 276.424 2.835 20 0 CFADRP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCOC1 ZINC000125973366 377203380 /nfs/dbraw/zinc/20/33/80/377203380.db2.gz WKYJXJSBAZEATQ-ILXRZTDVSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000126002601 377206824 /nfs/dbraw/zinc/20/68/24/377206824.db2.gz KYZAJORBNKKMBI-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1C ZINC000127839265 377305199 /nfs/dbraw/zinc/30/51/99/377305199.db2.gz PYRJVVSFMWITPK-WFASDCNBSA-N 2 0 289.398 2.922 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000128984800 377368961 /nfs/dbraw/zinc/36/89/61/377368961.db2.gz AELHNESJJWSBQG-KFWWJZLASA-N 2 0 292.423 2.535 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128990930 377371068 /nfs/dbraw/zinc/37/10/68/377371068.db2.gz KYKYNYGUORZVMJ-KGLIPLIRSA-N 2 0 262.397 2.796 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2C)C1 ZINC000129032659 377374926 /nfs/dbraw/zinc/37/49/26/377374926.db2.gz NBXKELPUHWYDNE-ZDUSSCGKSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129101239 377383552 /nfs/dbraw/zinc/38/35/52/377383552.db2.gz NEGNTCRZXODQDK-HOCLYGCPSA-N 2 0 293.430 2.582 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128499409 377341890 /nfs/dbraw/zinc/34/18/90/377341890.db2.gz DIRSXWZOCYFINA-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000129526876 377439448 /nfs/dbraw/zinc/43/94/48/377439448.db2.gz FAUZPVQRIQCHMR-IUODEOHRSA-N 2 0 266.816 2.955 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129238464 377402964 /nfs/dbraw/zinc/40/29/64/377402964.db2.gz OWXMJZYGJPJJCF-CYBMUJFWSA-N 2 0 272.314 2.937 20 0 CFADRP COC1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000130019238 377502145 /nfs/dbraw/zinc/50/21/45/377502145.db2.gz ILFVDAMCVXTZNN-UHFFFAOYSA-N 2 0 268.445 2.797 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000130223555 377523566 /nfs/dbraw/zinc/52/35/66/377523566.db2.gz DNMWFYPCAPVGLQ-NUEKZKHPSA-N 2 0 274.408 2.973 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC1(C)C ZINC000349649584 284640760 /nfs/dbraw/zinc/64/07/60/284640760.db2.gz DFGUCFDTORFZFQ-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000679343232 542173537 /nfs/dbraw/zinc/17/35/37/542173537.db2.gz XUAZNSTWPSUDIK-OAGGEKHMSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000130309128 377537083 /nfs/dbraw/zinc/53/70/83/377537083.db2.gz RUQZAATZMXFCQW-IAQYHMDHSA-N 2 0 268.351 2.580 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O)cc2)CC1 ZINC000679395663 542187527 /nfs/dbraw/zinc/18/75/27/542187527.db2.gz ZPJBDYRBOOQTOZ-UHFFFAOYSA-N 2 0 262.397 2.604 20 0 CFADRP COCCCC[N@H+](CCn1ccnc1)Cc1ccccc1 ZINC000130748882 377603942 /nfs/dbraw/zinc/60/39/42/377603942.db2.gz UZAWMDHJDFLAHW-UHFFFAOYSA-N 2 0 287.407 2.812 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C(=O)OC)co1 ZINC000130815234 377616573 /nfs/dbraw/zinc/61/65/73/377616573.db2.gz APUBCYSOIBKDRA-ZDUSSCGKSA-N 2 0 296.411 2.666 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cncn3C)CC2)CC1 ZINC000131074552 377651663 /nfs/dbraw/zinc/65/16/63/377651663.db2.gz DSZCTAFZOGHODT-UHFFFAOYSA-N 2 0 290.455 2.553 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000131192352 377675655 /nfs/dbraw/zinc/67/56/55/377675655.db2.gz IWKWCRHKMHNZNZ-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP c1cn(CC[N@@H+]2CCSC3(CCCCC3)C2)cn1 ZINC000131786200 377759482 /nfs/dbraw/zinc/75/94/82/377759482.db2.gz JJEPEKNAWBQTMC-UHFFFAOYSA-N 2 0 265.426 2.635 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000132164825 377811331 /nfs/dbraw/zinc/81/13/31/377811331.db2.gz CUPNYQZOIXLHEO-UTUOFQBUSA-N 2 0 264.335 2.697 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000132300272 377824947 /nfs/dbraw/zinc/82/49/47/377824947.db2.gz OPJNAESPVDNCEG-NXHRZFHOSA-N 2 0 295.515 2.959 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132782700 377875128 /nfs/dbraw/zinc/87/51/28/377875128.db2.gz SICPMZAVBCQEQU-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000134412129 378011985 /nfs/dbraw/zinc/01/19/85/378011985.db2.gz GQBQUNJNQGUIRF-WFASDCNBSA-N 2 0 264.438 2.838 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000133933119 377968155 /nfs/dbraw/zinc/96/81/55/377968155.db2.gz AMNZIOZXJVVPIB-CQSZACIVSA-N 2 0 256.459 2.735 20 0 CFADRP c1[nH]nc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccc12 ZINC000134197175 377992303 /nfs/dbraw/zinc/99/23/03/377992303.db2.gz URARDRIJIHVKRU-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCOC ZINC000348311761 284690243 /nfs/dbraw/zinc/69/02/43/284690243.db2.gz IVISGONUCGWKHC-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000149638111 378265395 /nfs/dbraw/zinc/26/53/95/378265395.db2.gz TWEAJVBWSQYXFO-RHSMWYFYSA-N 2 0 258.409 2.914 20 0 CFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000150991151 378285059 /nfs/dbraw/zinc/28/50/59/378285059.db2.gz LKEJIDVHMKSWKG-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1cnn(C)c1 ZINC000151026401 378286995 /nfs/dbraw/zinc/28/69/95/378286995.db2.gz SLFPHMXPLSZHEJ-QGZVFWFLSA-N 2 0 286.423 2.593 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccccc3)CC[C@@H]21 ZINC000140037680 378237199 /nfs/dbraw/zinc/23/71/99/378237199.db2.gz ITBITZPNRHVAFO-IRXDYDNUSA-N 2 0 258.409 2.645 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000151138641 378301013 /nfs/dbraw/zinc/30/10/13/378301013.db2.gz PBHABCHQPWUHNG-KBPBESRZSA-N 2 0 290.407 2.798 20 0 CFADRP COC[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000151721972 378353677 /nfs/dbraw/zinc/35/36/77/378353677.db2.gz JYGRCIOUZAAWDN-QWHCGFSZSA-N 2 0 259.353 2.558 20 0 CFADRP CCCCc1ccc([C@H](C)NC[C@@H](O)C[NH+](C)C)cc1 ZINC000154258895 378552324 /nfs/dbraw/zinc/55/23/24/378552324.db2.gz ZJFSXEPAELJJSH-WMLDXEAASA-N 2 0 278.440 2.602 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000154512672 378574483 /nfs/dbraw/zinc/57/44/83/378574483.db2.gz NNAMUUUGRKSVKO-RDJZCZTQSA-N 2 0 260.425 3.000 20 0 CFADRP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000154539914 378578177 /nfs/dbraw/zinc/57/81/77/378578177.db2.gz GEQAHAHLKGUZKJ-INIZCTEOSA-N 2 0 293.455 2.656 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCCO3)C2)CC1 ZINC000154731614 378590744 /nfs/dbraw/zinc/59/07/44/378590744.db2.gz PUTFRVGKVNYXRC-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000154883515 378599713 /nfs/dbraw/zinc/59/97/13/378599713.db2.gz KTNSEOZUQHYFRT-SJLPKXTDSA-N 2 0 289.467 2.753 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccn1 ZINC000529566661 383730294 /nfs/dbraw/zinc/73/02/94/383730294.db2.gz DYCLDQSWWQZUIV-KRWDZBQOSA-N 2 0 273.424 2.554 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000155059825 378609583 /nfs/dbraw/zinc/60/95/83/378609583.db2.gz PBUVPBUZTNEFHT-ILXRZTDVSA-N 2 0 295.496 2.671 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000161715473 378867548 /nfs/dbraw/zinc/86/75/48/378867548.db2.gz FAFJOAXDYHOSNF-YQQAZPJKSA-N 2 0 290.451 2.864 20 0 CFADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162724161 378927960 /nfs/dbraw/zinc/92/79/60/378927960.db2.gz CLEVRXJWBLOVGT-HLLBOEOZSA-N 2 0 287.451 2.510 20 0 CFADRP Cc1nc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)sc1C ZINC000334217205 378938980 /nfs/dbraw/zinc/93/89/80/378938980.db2.gz CSEQXCIOUJQHRV-HNNXBMFYSA-N 2 0 279.453 2.678 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000162868338 378939747 /nfs/dbraw/zinc/93/97/47/378939747.db2.gz OLYICUKUHBCPAI-BZUAXINKSA-N 2 0 290.455 2.592 20 0 CFADRP C[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000163458965 378975007 /nfs/dbraw/zinc/97/50/07/378975007.db2.gz SZYOXFPTQUHQAV-ZDUSSCGKSA-N 2 0 289.423 2.737 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000163487653 378976923 /nfs/dbraw/zinc/97/69/23/378976923.db2.gz SVHAGQIRNIJTIY-CJNGLKHVSA-N 2 0 269.392 2.652 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163246283 378962858 /nfs/dbraw/zinc/96/28/58/378962858.db2.gz YXUPIOQXFHLEOW-YPMHNXCESA-N 2 0 250.411 2.578 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1F ZINC000163381636 378967875 /nfs/dbraw/zinc/96/78/75/378967875.db2.gz PFYULRFPUZZZPT-SMDDNHRTSA-N 2 0 250.361 2.551 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000163396022 378970210 /nfs/dbraw/zinc/97/02/10/378970210.db2.gz UEERETGLDYSLDS-KKUMJFAQSA-N 2 0 268.445 2.512 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)CCC1 ZINC000429516010 284732168 /nfs/dbraw/zinc/73/21/68/284732168.db2.gz OLNAXUZBCHRQRG-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163894438 378996006 /nfs/dbraw/zinc/99/60/06/378996006.db2.gz IXXWHUUZIIMPLB-JKSUJKDBSA-N 2 0 276.424 2.599 20 0 CFADRP Clc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335270589 378999095 /nfs/dbraw/zinc/99/90/95/378999095.db2.gz NRIZAELJWPONRD-OKILXGFUSA-N 2 0 264.800 2.771 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(F)cc(F)c1)CC[NH2+]CC2 ZINC000335278701 379016196 /nfs/dbraw/zinc/01/61/96/379016196.db2.gz NPZYAZROYGPARC-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C3CCOCC3)CC2)CC[NH2+]1 ZINC000335278780 379016461 /nfs/dbraw/zinc/01/64/61/379016461.db2.gz PDDQXGOQGDFHQS-GJZGRUSLSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000164612690 379020034 /nfs/dbraw/zinc/02/00/34/379020034.db2.gz DBVWEOSYZDZWQT-SJORKVTESA-N 3 0 281.488 2.715 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422780709 284738577 /nfs/dbraw/zinc/73/85/77/284738577.db2.gz DFSUUPGXYDZQSG-CRAIPNDOSA-N 2 0 289.467 2.616 20 0 CFADRP [NH3+][C@@H]1CCCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000335291066 379033961 /nfs/dbraw/zinc/03/39/61/379033961.db2.gz BMBYMYODFUIRQK-MRXNPFEDSA-N 2 0 267.376 2.672 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165339119 379037852 /nfs/dbraw/zinc/03/78/52/379037852.db2.gz YPIOEMRUILGWGE-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP COc1nc2ccccc2cc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000571862760 383733438 /nfs/dbraw/zinc/73/34/38/383733438.db2.gz NZAYKSUJOJBREB-BBRMVZONSA-N 2 0 299.418 2.660 20 0 CFADRP C[NH2+][C@H]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000335287351 379029346 /nfs/dbraw/zinc/02/93/46/379029346.db2.gz ASTTVHDBNACBOX-ZDUSSCGKSA-N 2 0 255.365 2.650 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000166023238 379049786 /nfs/dbraw/zinc/04/97/86/379049786.db2.gz IRFBCEOIFWYXDR-AEFFLSMTSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000166356956 379052733 /nfs/dbraw/zinc/05/27/33/379052733.db2.gz MRSZGIZOQAVSJI-SMKXDYDZSA-N 2 0 258.409 2.992 20 0 CFADRP Cc1nccn1Cc1ccc(Cn2ccnc2C)cc1 ZINC000169375919 379107997 /nfs/dbraw/zinc/10/79/97/379107997.db2.gz WMDWZOFWBUXBRI-UHFFFAOYSA-N 2 0 266.348 2.793 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000170884264 379184760 /nfs/dbraw/zinc/18/47/60/379184760.db2.gz UBLBZVMSYNYQKZ-MRXNPFEDSA-N 2 0 276.424 2.729 20 0 CFADRP C[C@@]1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCOC1 ZINC000334367723 379168297 /nfs/dbraw/zinc/16/82/97/379168297.db2.gz RKHRLCZMQBKFOC-QGZVFWFLSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000334394539 379218558 /nfs/dbraw/zinc/21/85/58/379218558.db2.gz AZQSZEYTVROBPB-STQMWFEESA-N 2 0 270.380 2.664 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335484328 379380966 /nfs/dbraw/zinc/38/09/66/379380966.db2.gz UUZJBGMHTYYKGV-IRXDYDNUSA-N 2 0 258.409 2.973 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000335502078 379411000 /nfs/dbraw/zinc/41/10/00/379411000.db2.gz UUYDXTSUMBHAFS-INIZCTEOSA-N 2 0 260.356 2.712 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525704 379453972 /nfs/dbraw/zinc/45/39/72/379453972.db2.gz QHFJJNALLFWRQS-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529586424 383737927 /nfs/dbraw/zinc/73/79/27/383737927.db2.gz ULSOHPUZMDLHAH-QGZVFWFLSA-N 2 0 269.392 2.696 20 0 CFADRP C1C[C@H]2CC(NC3CC[NH+](C4CCCCC4)CC3)C[C@@H]1[NH2+]2 ZINC000335565122 379519487 /nfs/dbraw/zinc/51/94/87/379519487.db2.gz PCAZWSCIORESGR-SJPCQFCGSA-N 2 0 291.483 2.656 20 0 CFADRP C[C@@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000334591332 379587237 /nfs/dbraw/zinc/58/72/37/379587237.db2.gz KGXPMCMYUNEAIR-HNNXBMFYSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H](C[NH+]1CCC2(CC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000334585560 379577272 /nfs/dbraw/zinc/57/72/72/379577272.db2.gz HFYROYHHPUGAPE-CYBMUJFWSA-N 2 0 262.372 2.757 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[NH2+]1 ZINC000335641023 379647550 /nfs/dbraw/zinc/64/75/50/379647550.db2.gz PRERCACCQQXXPV-AAEUAGOBSA-N 2 0 273.355 2.604 20 0 CFADRP Fc1c(Cl)cccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335653743 379668681 /nfs/dbraw/zinc/66/86/81/379668681.db2.gz GFBNIRULGYMPBF-FOSCPWQOSA-N 2 0 268.763 2.852 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC000173915915 379799862 /nfs/dbraw/zinc/79/98/62/379799862.db2.gz ILPDPHIQSXWHJH-MRXNPFEDSA-N 2 0 276.424 2.729 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCOCC12CCCCC2 ZINC000334690736 379773073 /nfs/dbraw/zinc/77/30/73/379773073.db2.gz RZOAPMLEIQVWDA-HNNXBMFYSA-N 2 0 266.429 2.506 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(-c2ccncc2)c1 ZINC000335772486 379864341 /nfs/dbraw/zinc/86/43/41/379864341.db2.gz BFPSKQGIHLKTQS-MOPGFXCFSA-N 2 0 293.414 2.932 20 0 CFADRP C[C@@H](c1ccccc1F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335742337 379815258 /nfs/dbraw/zinc/81/52/58/379815258.db2.gz WTLYMTDGLBUHRZ-ZDUSSCGKSA-N 2 0 262.372 2.962 20 0 CFADRP CC(C)OCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404837 379878555 /nfs/dbraw/zinc/87/85/55/379878555.db2.gz MKSWEOJHZIOSKL-SFHVURJKSA-N 2 0 290.451 2.865 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000335043050 379963038 /nfs/dbraw/zinc/96/30/38/379963038.db2.gz LUSMYGHTWGPCRI-WBVHZDCISA-N 2 0 284.359 2.625 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000334844063 379931966 /nfs/dbraw/zinc/93/19/66/379931966.db2.gz SOURZNJRAQROSJ-HNNXBMFYSA-N 2 0 264.800 2.917 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000334845415 379932934 /nfs/dbraw/zinc/93/29/34/379932934.db2.gz GYUOTXNXYPDULW-HOCLYGCPSA-N 2 0 273.424 2.515 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334872866 379936182 /nfs/dbraw/zinc/93/61/82/379936182.db2.gz NQLROKGXYDBZLG-GOEBONIOSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998188 379952885 /nfs/dbraw/zinc/95/28/85/379952885.db2.gz LSRQIUXRRXZDBF-YGRLFVJLSA-N 2 0 250.773 2.608 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000335004442 379954479 /nfs/dbraw/zinc/95/44/79/379954479.db2.gz CMLPANYNXCOWBL-DYVFJYSZSA-N 2 0 258.409 2.522 20 0 CFADRP CC1(C)CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335036570 379960733 /nfs/dbraw/zinc/96/07/33/379960733.db2.gz URXTYOFJJRXYHW-CGZBRXJRSA-N 2 0 293.499 2.761 20 0 CFADRP C1CC12CCC([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000335036350 379961093 /nfs/dbraw/zinc/96/10/93/379961093.db2.gz PGVDOMCRHYZNTQ-UHFFFAOYSA-N 2 0 291.483 2.515 20 0 CFADRP F[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335170854 379987085 /nfs/dbraw/zinc/98/70/85/379987085.db2.gz QRMOKGJYVHKPLL-TZMCWYRMSA-N 2 0 263.360 2.531 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000335166672 379987255 /nfs/dbraw/zinc/98/72/55/379987255.db2.gz BSZZWFVUWQVXIR-KOHJWAIASA-N 2 0 278.371 2.681 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)s1 ZINC000335254675 380089664 /nfs/dbraw/zinc/08/96/64/380089664.db2.gz GWDFSVHKYSMFSM-HNNXBMFYSA-N 2 0 294.464 2.552 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12CCOCC2 ZINC000335254576 380089701 /nfs/dbraw/zinc/08/97/01/380089701.db2.gz ZBLVEOXONOUHTD-CQSZACIVSA-N 2 0 294.826 2.527 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000335240485 380064521 /nfs/dbraw/zinc/06/45/21/380064521.db2.gz OZYXBRGKVFLFOP-ROUUACIJSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000335249402 380080861 /nfs/dbraw/zinc/08/08/61/380080861.db2.gz PRFVVZSKVITRJP-CABCVRRESA-N 2 0 288.435 2.960 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2Cl)CC12CCOCC2 ZINC000335253189 380086970 /nfs/dbraw/zinc/08/69/70/380086970.db2.gz QHOXNFVIBRHQIW-CQSZACIVSA-N 2 0 294.826 2.527 20 0 CFADRP CCC[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432363145 383742595 /nfs/dbraw/zinc/74/25/95/383742595.db2.gz SPIQOCRIPQSZMZ-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc2cccnc12 ZINC000335260648 380098309 /nfs/dbraw/zinc/09/83/09/380098309.db2.gz NZAJFKKXSUVIGQ-CJNGLKHVSA-N 2 0 269.392 2.773 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000335917543 380105127 /nfs/dbraw/zinc/10/51/27/380105127.db2.gz STTRVXHJFZQVKV-JSGCOSHPSA-N 2 0 274.408 2.569 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(Cl)cn3)C2)C1 ZINC000335961423 380165162 /nfs/dbraw/zinc/16/51/62/380165162.db2.gz BPHZBNIUCYWISH-OAHLLOKOSA-N 2 0 279.815 2.653 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)s1 ZINC000336005059 380224637 /nfs/dbraw/zinc/22/46/37/380224637.db2.gz HVAKSNQHNMIBKH-MRVPVSSYSA-N 2 0 267.785 2.772 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423408844 284822769 /nfs/dbraw/zinc/82/27/69/284822769.db2.gz PENURDQGPSUFDS-JKSUJKDBSA-N 2 0 282.472 2.807 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000177222105 380319128 /nfs/dbraw/zinc/31/91/28/380319128.db2.gz VQYSVFWXGFWYMF-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000249979758 284824860 /nfs/dbraw/zinc/82/48/60/284824860.db2.gz QXVHTEFZUSGZRH-RCCFBDPRSA-N 2 0 289.467 2.787 20 0 CFADRP C[NH+]1CCC2(CCCN2Cc2cc(O)cc(F)c2)CC1 ZINC000336538530 380434546 /nfs/dbraw/zinc/43/45/46/380434546.db2.gz ZEVFZLOILCVOKY-UHFFFAOYSA-N 2 0 278.371 2.592 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976991 380498596 /nfs/dbraw/zinc/49/85/96/380498596.db2.gz WIAINPNRNGKAJF-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCCC1 ZINC000179097496 380508395 /nfs/dbraw/zinc/50/83/95/380508395.db2.gz HIIGUVFQYBFYCT-BBWFWOEESA-N 2 0 292.467 2.800 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCSCC1 ZINC000336601776 380530906 /nfs/dbraw/zinc/53/09/06/380530906.db2.gz LVYLCGSVODNKEJ-UHFFFAOYSA-N 2 0 288.420 2.515 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1C ZINC000336605108 380535083 /nfs/dbraw/zinc/53/50/83/380535083.db2.gz MJHLBRIUACEAID-GFCCVEGCSA-N 2 0 256.353 2.560 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000336658904 380585436 /nfs/dbraw/zinc/58/54/36/380585436.db2.gz VJQGCCDBRWEFJZ-OAHLLOKOSA-N 2 0 284.403 2.950 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000336706723 380601577 /nfs/dbraw/zinc/60/15/77/380601577.db2.gz JDHRSFZXLDUMIO-INIZCTEOSA-N 2 0 289.467 2.758 20 0 CFADRP CSC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336725483 380615984 /nfs/dbraw/zinc/61/59/84/380615984.db2.gz VECMZEQJSFXFKB-ZIAGYGMSSA-N 2 0 256.459 2.546 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1F ZINC000180486133 380667437 /nfs/dbraw/zinc/66/74/37/380667437.db2.gz NEGCQJNAZAUBNZ-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(CC)CCOCC2)CC1 ZINC000336817235 380679202 /nfs/dbraw/zinc/67/92/02/380679202.db2.gz PGYSNHWOBBFTMN-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336823809 380694844 /nfs/dbraw/zinc/69/48/44/380694844.db2.gz RKHFXKXJCYPVMP-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP C1=C(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000645786902 383748421 /nfs/dbraw/zinc/74/84/21/383748421.db2.gz JBMKLGDPFIHART-UHFFFAOYSA-N 2 0 278.440 2.531 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000180839615 380703960 /nfs/dbraw/zinc/70/39/60/380703960.db2.gz JULOURIXFWJSSI-OLZOCXBDSA-N 2 0 293.480 2.637 20 0 CFADRP Cc1ncc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000336802125 380655278 /nfs/dbraw/zinc/65/52/78/380655278.db2.gz SQCXRHZHKYOSLL-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C)sc2C)[C@H](C)C1 ZINC000336802256 380655565 /nfs/dbraw/zinc/65/55/65/380655565.db2.gz SZMVPOTYIKLTCV-IAQYHMDHSA-N 2 0 281.469 2.922 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000346998990 380863548 /nfs/dbraw/zinc/86/35/48/380863548.db2.gz YDAGJHHYIREUEA-UHFFFAOYSA-N 3 0 269.477 2.558 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000295452859 380864260 /nfs/dbraw/zinc/86/42/60/380864260.db2.gz QFZNSHULHAUBGP-XJKSGUPXSA-N 2 0 291.464 2.639 20 0 CFADRP C[NH2+]CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000347000687 380866732 /nfs/dbraw/zinc/86/67/32/380866732.db2.gz GTGRIGGOHYMVPT-NSCUHMNNSA-N 2 0 262.372 2.770 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401016403 380867224 /nfs/dbraw/zinc/86/72/24/380867224.db2.gz OMVFGNRFDKABQV-BYNSBNAKSA-N 2 0 274.408 2.734 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]1C ZINC000401009247 380867512 /nfs/dbraw/zinc/86/75/12/380867512.db2.gz GDQLQQGXGRHXKQ-GEONZQJFSA-N 2 0 250.430 2.789 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c[nH]1 ZINC000367967695 380871136 /nfs/dbraw/zinc/87/11/36/380871136.db2.gz VAKIGBCOLQTPLR-OALUTQOASA-N 2 0 295.430 2.969 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347010174 380875987 /nfs/dbraw/zinc/87/59/87/380875987.db2.gz GBOVQZIYBGNVJX-NWDGAFQWSA-N 2 0 290.436 2.697 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346979919 380840347 /nfs/dbraw/zinc/84/03/47/380840347.db2.gz OJMBAEKNEKAPOT-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346979925 380841721 /nfs/dbraw/zinc/84/17/21/380841721.db2.gz OJMBAEKNEKAPOT-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1scc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000399975694 380851416 /nfs/dbraw/zinc/85/14/16/380851416.db2.gz CXLUJNUPFKREEQ-HZMBPMFUSA-N 2 0 252.427 2.937 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000400434773 380859779 /nfs/dbraw/zinc/85/97/79/380859779.db2.gz KXXHITMWAUXMEV-VYDXJSESSA-N 2 0 276.424 2.569 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000347084945 380927996 /nfs/dbraw/zinc/92/79/96/380927996.db2.gz CMENEHIHYVVUBJ-UHFFFAOYSA-N 2 0 262.397 2.658 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)c2ccccc21 ZINC000402181001 380881877 /nfs/dbraw/zinc/88/18/77/380881877.db2.gz ACYIIAYCOMNXME-MAZHCROVSA-N 2 0 260.381 2.538 20 0 CFADRP CCCc1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358514939 380899065 /nfs/dbraw/zinc/89/90/65/380899065.db2.gz YFKOPKXJXLNMNR-UHFFFAOYSA-N 2 0 279.453 2.671 20 0 CFADRP Cc1cccnc1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000405091296 380909226 /nfs/dbraw/zinc/90/92/26/380909226.db2.gz QAMQBBFWDUGLQB-HZPDHXFCSA-N 2 0 275.440 2.833 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000347056442 380911120 /nfs/dbraw/zinc/91/11/20/380911120.db2.gz VGVAIZIMLDUUGI-PBHICJAKSA-N 2 0 276.424 2.891 20 0 CFADRP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000181906624 380931583 /nfs/dbraw/zinc/93/15/83/380931583.db2.gz GYBONXRSOYMIFH-HNNXBMFYSA-N 2 0 298.471 2.772 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000347117996 380952306 /nfs/dbraw/zinc/95/23/06/380952306.db2.gz UZRNJJSTSDIGKU-LBPRGKRZSA-N 2 0 260.406 2.943 20 0 CFADRP Cc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cs1 ZINC000295594214 380962519 /nfs/dbraw/zinc/96/25/19/380962519.db2.gz CGSNVJUNDVMABB-OAHLLOKOSA-N 2 0 264.438 2.974 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347090430 380932778 /nfs/dbraw/zinc/93/27/78/380932778.db2.gz GCANYRRHGNRKNH-DGCLKSJQSA-N 2 0 284.350 2.847 20 0 CFADRP Cc1ncc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1-c1ccccc1 ZINC000347112728 380947542 /nfs/dbraw/zinc/94/75/42/380947542.db2.gz RSGHUGFMTVIQQW-CQSZACIVSA-N 2 0 298.434 2.740 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000289348044 381031264 /nfs/dbraw/zinc/03/12/64/381031264.db2.gz XQJHGLNTAKCDFD-HNNXBMFYSA-N 2 0 292.398 2.897 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000295703271 381024955 /nfs/dbraw/zinc/02/49/55/381024955.db2.gz MLXWJPHJUCUGMV-XHDPSFHLSA-N 2 0 282.428 2.728 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2([C@H](C)CCO)CCC2)CC1 ZINC000341400248 380993383 /nfs/dbraw/zinc/99/33/83/380993383.db2.gz OVICZHPEGUXLSD-OAHLLOKOSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](C[NH3+])N(C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000347199339 380998480 /nfs/dbraw/zinc/99/84/80/380998480.db2.gz JBMMEGFLPWQGEB-MRVPVSSYSA-N 2 0 264.266 2.624 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000368352373 380998573 /nfs/dbraw/zinc/99/85/73/380998573.db2.gz QXNGGCUDDQARND-QGZVFWFLSA-N 2 0 296.455 2.526 20 0 CFADRP CO[C@H](C)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358670751 381002945 /nfs/dbraw/zinc/00/29/45/381002945.db2.gz WWIMGKALJMJZJO-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000353989181 381004538 /nfs/dbraw/zinc/00/45/38/381004538.db2.gz ZXBJOCNZLFPBBZ-GHMZBOCLSA-N 2 0 262.319 2.545 20 0 CFADRP Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)nc(C2CC2)n1 ZINC000341499222 381051699 /nfs/dbraw/zinc/05/16/99/381051699.db2.gz LAFYMURITXGHMR-JSGCOSHPSA-N 2 0 288.439 2.617 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000368530518 381055334 /nfs/dbraw/zinc/05/53/34/381055334.db2.gz NBBIVUGJTWMODC-DLBZAZTESA-N 2 0 290.476 2.994 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000368530521 381056682 /nfs/dbraw/zinc/05/66/82/381056682.db2.gz NBBIVUGJTWMODC-SJORKVTESA-N 2 0 290.476 2.994 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCO2 ZINC000182306591 381058272 /nfs/dbraw/zinc/05/82/72/381058272.db2.gz JLPFUYLJWJFSOM-JSGCOSHPSA-N 2 0 276.380 2.550 20 0 CFADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000358720064 381034367 /nfs/dbraw/zinc/03/43/67/381034367.db2.gz UUGUYQAVVKKLMG-KRWDZBQOSA-N 2 0 280.456 2.534 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCCCO1 ZINC000347396975 381122886 /nfs/dbraw/zinc/12/28/86/381122886.db2.gz XLZQLEGBUCCXAQ-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354166501 381117864 /nfs/dbraw/zinc/11/78/64/381117864.db2.gz LMZHWYBUJRSJQH-SJLPKXTDSA-N 2 0 294.483 2.857 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000354166186 381118435 /nfs/dbraw/zinc/11/84/35/381118435.db2.gz JNTHSDXCOLYHHR-SFHVURJKSA-N 2 0 287.451 2.740 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCC(F)(F)F)C[C@H]1C ZINC000354211107 381143698 /nfs/dbraw/zinc/14/36/98/381143698.db2.gz VPOAJQZXLHEKTK-CHWSQXEVSA-N 2 0 296.377 2.760 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000354180879 381124655 /nfs/dbraw/zinc/12/46/55/381124655.db2.gz JPAWIGABRBOGDF-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(Br)nc1 ZINC000289732684 381125815 /nfs/dbraw/zinc/12/58/15/381125815.db2.gz LTSQRAMWCXFAFD-JTQLQIEISA-N 2 0 298.228 2.589 20 0 CFADRP Cc1ccc2nc(CN3CC[N@@H+](C4CC4)C[C@@H](C)C3)cn2c1 ZINC000295958832 381182498 /nfs/dbraw/zinc/18/24/98/381182498.db2.gz HRVKIPQRXUKYRY-HNNXBMFYSA-N 2 0 298.434 2.559 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CCC1 ZINC000289849426 381187054 /nfs/dbraw/zinc/18/70/54/381187054.db2.gz BDDQBOIGUJGPJW-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCCO2)[C@H](C)C1 ZINC000347495577 381187985 /nfs/dbraw/zinc/18/79/85/381187985.db2.gz ZAWIPGVWSSFDQZ-OAGGEKHMSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCOc2ccccc21 ZINC000369075698 381190279 /nfs/dbraw/zinc/19/02/79/381190279.db2.gz IKZMFSWUJYCMJH-MRXNPFEDSA-N 2 0 288.435 2.970 20 0 CFADRP Cc1nn(C(C)C)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369188978 381207306 /nfs/dbraw/zinc/20/73/06/381207306.db2.gz PQMXIWBBHPQMMY-INIZCTEOSA-N 2 0 290.455 2.690 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000289987560 381250673 /nfs/dbraw/zinc/25/06/73/381250673.db2.gz DUHBZAHUFLBPQD-UHFFFAOYSA-N 2 0 278.440 2.591 20 0 CFADRP CC1CCC([NH+]2CCN(CCC3CC[NH2+]CC3)CC2)CC1 ZINC000359199654 381287407 /nfs/dbraw/zinc/28/74/07/381287407.db2.gz DOWMMKIZCMOUQE-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1cc(C)c(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000412403726 381288600 /nfs/dbraw/zinc/28/86/00/381288600.db2.gz OZSZXKQAGRIPFX-MRXNPFEDSA-N 2 0 289.423 2.579 20 0 CFADRP CC[C@](C)([NH2+]CCC1CC[NH2+]CC1)c1nccs1 ZINC000359219725 381293575 /nfs/dbraw/zinc/29/35/75/381293575.db2.gz MFQILPMBXUAGGF-AWEZNQCLSA-N 2 0 267.442 2.748 20 0 CFADRP COc1ccccc1CC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359222641 381295632 /nfs/dbraw/zinc/29/56/32/381295632.db2.gz YLWLSOOMNRHOCZ-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@@H](c2ccccc2)CO1 ZINC000359225895 381297853 /nfs/dbraw/zinc/29/78/53/381297853.db2.gz VCKUXQOHSQVVBA-MAUKXSAKSA-N 2 0 288.435 2.838 20 0 CFADRP CCC[C@@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000354492512 381303418 /nfs/dbraw/zinc/30/34/18/381303418.db2.gz CCEQRJKZXNZYCT-VPSFDDGASA-N 2 0 282.472 2.996 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cs1 ZINC000296166907 381284705 /nfs/dbraw/zinc/28/47/05/381284705.db2.gz WXXWJTVWNZLFNG-GJZGRUSLSA-N 2 0 264.438 2.973 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000369721956 381321621 /nfs/dbraw/zinc/32/16/21/381321621.db2.gz PUWUBXNCYFTPQA-UHFFFAOYSA-N 2 0 274.408 2.700 20 0 CFADRP C([NH2+][C@H]1CCSC1)[C@@H]1CCCN1C1CCCCC1 ZINC000369722629 381321786 /nfs/dbraw/zinc/32/17/86/381321786.db2.gz SMSXIAYOECNTCW-ZFWWWQNUSA-N 2 0 268.470 2.879 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000359290900 381330967 /nfs/dbraw/zinc/33/09/67/381330967.db2.gz CGLFZULZPADMSS-CWRNSKLLSA-N 2 0 273.424 2.921 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCCCN1CC(C)C ZINC000354553635 381336330 /nfs/dbraw/zinc/33/63/30/381336330.db2.gz XNSCAVSNFUQUHA-OAHLLOKOSA-N 2 0 298.471 2.676 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000354552629 381336898 /nfs/dbraw/zinc/33/68/98/381336898.db2.gz SMOZMSAHODVVKP-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000183710066 381309044 /nfs/dbraw/zinc/30/90/44/381309044.db2.gz NAUTUGIVKNTWBS-HUUCEWRRSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(F)ncc2F)C1 ZINC000296319429 381344371 /nfs/dbraw/zinc/34/43/71/381344371.db2.gz HCISLCMJEOTKLH-CYBMUJFWSA-N 2 0 297.393 2.962 20 0 CFADRP Cc1cnccc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000296325304 381348327 /nfs/dbraw/zinc/34/83/27/381348327.db2.gz HIFMJBKBTGABRS-UHFFFAOYSA-N 2 0 275.440 2.992 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000296517784 381429942 /nfs/dbraw/zinc/42/99/42/381429942.db2.gz RWHIIWXKRQGMBJ-CZUORRHYSA-N 2 0 287.432 2.773 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCCc1ccccn1 ZINC000290461208 381439442 /nfs/dbraw/zinc/43/94/42/381439442.db2.gz UDADXSLZDQZMMX-UHFFFAOYSA-N 2 0 269.392 2.940 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000342629033 381442347 /nfs/dbraw/zinc/44/23/47/381442347.db2.gz RRYFBYVDNBOSDP-KRWDZBQOSA-N 2 0 288.435 2.797 20 0 CFADRP CSC1(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000347927106 381418264 /nfs/dbraw/zinc/41/82/64/381418264.db2.gz UGFOKJIYPFDSET-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370662198 381484498 /nfs/dbraw/zinc/48/44/98/381484498.db2.gz JHDCDYDYYDIYJF-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000296608699 381470812 /nfs/dbraw/zinc/47/08/12/381470812.db2.gz WDUOBRVUABIGRB-JQHSSLGASA-N 2 0 288.435 2.666 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000354884670 381505858 /nfs/dbraw/zinc/50/58/58/381505858.db2.gz DURIRISIRFBEJM-ZWKOTPCHSA-N 2 0 294.483 2.878 20 0 CFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000354884666 381506630 /nfs/dbraw/zinc/50/66/30/381506630.db2.gz DURIRISIRFBEJM-MSOLQXFVSA-N 2 0 294.483 2.878 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(CC)C2)[C@@H](C)C1 ZINC000342734322 381507771 /nfs/dbraw/zinc/50/77/71/381507771.db2.gz NNDDADAMOWEVLE-ZGRYLRDCSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cccc(NCCc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC000354889023 381509054 /nfs/dbraw/zinc/50/90/54/381509054.db2.gz JYDXXFRVOXCLJZ-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP CC(C)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332051 381511937 /nfs/dbraw/zinc/51/19/37/381511937.db2.gz TWGDPZXTAJKTOQ-IAGOWNOFSA-N 2 0 258.409 2.706 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000342744547 381512831 /nfs/dbraw/zinc/51/28/31/381512831.db2.gz LGIRMDSXKFHSJP-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@H]2[C@@H]1c1ccccc1 ZINC000370689817 381489170 /nfs/dbraw/zinc/48/91/70/381489170.db2.gz KXCQULWFNITARV-HCXYKTFWSA-N 2 0 298.430 2.914 20 0 CFADRP CCOCC[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348301439 381489479 /nfs/dbraw/zinc/48/94/79/381489479.db2.gz HZDNLTDIJYDOOA-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)O ZINC000348306664 381496064 /nfs/dbraw/zinc/49/60/64/381496064.db2.gz ZJLBTBRUEXGMAL-CABCVRRESA-N 2 0 270.461 2.638 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000348398863 381550093 /nfs/dbraw/zinc/55/00/93/381550093.db2.gz USIIIUKQYBSZJU-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cc(NCc2ccccc2OCC[NH+](C)C)cc[nH+]1 ZINC000290716502 381529466 /nfs/dbraw/zinc/52/94/66/381529466.db2.gz YEWGYPHIBDXGOQ-UHFFFAOYSA-N 2 0 285.391 2.943 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000348367650 381535331 /nfs/dbraw/zinc/53/53/31/381535331.db2.gz FFCHKKXBVUPBOQ-ULQDDVLXSA-N 2 0 282.472 2.903 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000414307615 381575673 /nfs/dbraw/zinc/57/56/73/381575673.db2.gz HIZXAEFFXRPNFG-SWHNLWLKSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC1CCCC1 ZINC000371295116 381583977 /nfs/dbraw/zinc/58/39/77/381583977.db2.gz OVTNKNIRDAPYNJ-ZACQAIPSSA-N 2 0 280.456 2.750 20 0 CFADRP Clc1ccc([C@H]2OCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297348717 381559648 /nfs/dbraw/zinc/55/96/48/381559648.db2.gz JYKVBBBNPZNIFI-HZPDHXFCSA-N 2 0 294.826 2.759 20 0 CFADRP FC1(F)CC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000297395305 381560863 /nfs/dbraw/zinc/56/08/63/381560863.db2.gz JUPDLYBXSYWSSL-UHFFFAOYSA-N 2 0 281.350 2.685 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccccn2)CC1 ZINC000371199309 381565475 /nfs/dbraw/zinc/56/54/75/381565475.db2.gz SIHBYQPOYRZCIY-MRXNPFEDSA-N 2 0 273.424 2.745 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000414175158 381569373 /nfs/dbraw/zinc/56/93/73/381569373.db2.gz GZESDXKKMWZUOC-GUYCJALGSA-N 2 0 291.414 2.993 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000414815136 381607751 /nfs/dbraw/zinc/60/77/51/381607751.db2.gz WWJMFZBZZCDELJ-BXUZGUMPSA-N 2 0 250.411 2.692 20 0 CFADRP C[C@H](C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000414713338 381600592 /nfs/dbraw/zinc/60/05/92/381600592.db2.gz OWIGDOWUZCLMDJ-UPJWGTAASA-N 2 0 267.442 2.567 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414688877 381600736 /nfs/dbraw/zinc/60/07/36/381600736.db2.gz JZDLKODNZQDTIH-KYHPRHEASA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)C1 ZINC000414715653 381602097 /nfs/dbraw/zinc/60/20/97/381602097.db2.gz RIJQKILGBWGHLH-UGUYLWEFSA-N 2 0 250.430 2.887 20 0 CFADRP CCC1CCC([N@H+](CCO)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414756355 381602474 /nfs/dbraw/zinc/60/24/74/381602474.db2.gz QOGAQPUITHAQSS-GYXIZQIFSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccc(F)c(F)c3C2)CC[NH2+]1 ZINC000414755697 381603141 /nfs/dbraw/zinc/60/31/41/381603141.db2.gz PJLSIPWNXKXKDQ-NEPJUHHUSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000414872894 381609286 /nfs/dbraw/zinc/60/92/86/381609286.db2.gz GMRXXHPKDOPVAO-PVAVHDDUSA-N 2 0 260.425 2.972 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000414900863 381611534 /nfs/dbraw/zinc/61/15/34/381611534.db2.gz FDSFFOFDXXNYAD-QJPTWQEYSA-N 2 0 264.335 2.839 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414897355 381611739 /nfs/dbraw/zinc/61/17/39/381611739.db2.gz DTJMGTSGLSCQEJ-CABCVRRESA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414924333 381613471 /nfs/dbraw/zinc/61/34/71/381613471.db2.gz JWTIBGLKSNNKRL-HUUCEWRRSA-N 2 0 262.397 2.833 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355110790 381617076 /nfs/dbraw/zinc/61/70/76/381617076.db2.gz CACOJAZOMDRYJX-JUVOFCAFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414928971 381618620 /nfs/dbraw/zinc/61/86/20/381618620.db2.gz QVQHKSNDSHOZRD-SNPRPXQTSA-N 2 0 290.407 2.596 20 0 CFADRP CCSCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371418157 381620429 /nfs/dbraw/zinc/62/04/29/381620429.db2.gz MQJJRQGJEKVRTG-CQSZACIVSA-N 2 0 282.497 2.936 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414930849 381620582 /nfs/dbraw/zinc/62/05/82/381620582.db2.gz BDPFUSZHDWRFNE-JMSVASOKSA-N 2 0 266.816 2.859 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000414931890 381621512 /nfs/dbraw/zinc/62/15/12/381621512.db2.gz VAAUHCQONDJXCO-BYCMXARLSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414931333 381621562 /nfs/dbraw/zinc/62/15/62/381621562.db2.gz BPXZRRJZVYQEAB-XJKCOSOUSA-N 2 0 264.388 2.734 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000414931898 381621873 /nfs/dbraw/zinc/62/18/73/381621873.db2.gz VAAUHCQONDJXCO-UGFHNGPFSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000355125708 381629100 /nfs/dbraw/zinc/62/91/00/381629100.db2.gz DJTIRZJBMATWFK-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+]1CCC(N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414933843 381625550 /nfs/dbraw/zinc/62/55/50/381625550.db2.gz DSLZFYPUACPRGQ-GOSISDBHSA-N 2 0 283.419 2.523 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414936720 381627373 /nfs/dbraw/zinc/62/73/73/381627373.db2.gz ZJWMGSUUAKVVMF-HZPDHXFCSA-N 2 0 298.434 2.849 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[NH2+]1 ZINC000414944548 381635601 /nfs/dbraw/zinc/63/56/01/381635601.db2.gz GZGGMEWBPRCQDY-PWSUYJOCSA-N 2 0 270.323 2.518 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414946044 381635680 /nfs/dbraw/zinc/63/56/80/381635680.db2.gz JGNWNRQRYSUQKE-IAOVAPTHSA-N 2 0 294.414 2.503 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414946046 381635890 /nfs/dbraw/zinc/63/58/90/381635890.db2.gz JGNWNRQRYSUQKE-RRQGHBQHSA-N 2 0 294.414 2.503 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000414944648 381636406 /nfs/dbraw/zinc/63/64/06/381636406.db2.gz HGFVQHJUNMSSKY-KCQAQPDRSA-N 2 0 294.414 2.743 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[NH2+]1 ZINC000414944544 381637197 /nfs/dbraw/zinc/63/71/97/381637197.db2.gz GZGGMEWBPRCQDY-CMPLNLGQSA-N 2 0 270.323 2.518 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414937333 381629619 /nfs/dbraw/zinc/62/96/19/381629619.db2.gz VMPSRAKBUTUADN-HOCLYGCPSA-N 2 0 261.413 2.609 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414941926 381633845 /nfs/dbraw/zinc/63/38/45/381633845.db2.gz CWORDWASCFHMRU-UKRRQHHQSA-N 2 0 262.397 2.704 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414956209 381648897 /nfs/dbraw/zinc/64/88/97/381648897.db2.gz UZQIWYWNHAWGPG-GDBMZVCRSA-N 2 0 276.424 2.952 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000371519960 381649539 /nfs/dbraw/zinc/64/95/39/381649539.db2.gz PAQKJZCNDDFEHU-FGTMMUONSA-N 2 0 290.451 2.940 20 0 CFADRP CC(C)(C)[NH2+]CCN[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414952619 381642181 /nfs/dbraw/zinc/64/21/81/381642181.db2.gz KRSGEQOWFXERPE-QGZVFWFLSA-N 2 0 285.435 2.817 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414953759 381644509 /nfs/dbraw/zinc/64/45/09/381644509.db2.gz KBVDZDDJCQJUPB-CHWSQXEVSA-N 2 0 252.377 2.734 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371519063 381650166 /nfs/dbraw/zinc/65/01/66/381650166.db2.gz JXUUKRGOHSJZAR-GVDBMIGSSA-N 2 0 276.424 2.694 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414965248 381661857 /nfs/dbraw/zinc/66/18/57/381661857.db2.gz FELVROUPAGZVGG-QGZVFWFLSA-N 2 0 288.435 2.953 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000355186152 381662991 /nfs/dbraw/zinc/66/29/91/381662991.db2.gz ZJOOFSRQNLDNHT-QZTJIDSGSA-N 2 0 288.435 2.525 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000414969758 381665391 /nfs/dbraw/zinc/66/53/91/381665391.db2.gz JKZVAUNJXSFWLG-AWEZNQCLSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414969983 381665508 /nfs/dbraw/zinc/66/55/08/381665508.db2.gz ZRILSPDWCOTNSX-GXFFZTMASA-N 2 0 288.313 2.673 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414968850 381665524 /nfs/dbraw/zinc/66/55/24/381665524.db2.gz FSCGOOWYMZAPPS-HZPDHXFCSA-N 2 0 282.472 2.951 20 0 CFADRP c1cn(Cc2ccccc2)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000414968523 381666050 /nfs/dbraw/zinc/66/60/50/381666050.db2.gz IJOAPDXYAFCEAV-QGZVFWFLSA-N 2 0 298.434 2.553 20 0 CFADRP CC(C)c1ncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414972141 381667330 /nfs/dbraw/zinc/66/73/30/381667330.db2.gz MDLDHJPRFIVRHX-LBPRGKRZSA-N 2 0 267.442 2.888 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(C)c(Cl)c2)CC[NH2+]CC1 ZINC000414976170 381670792 /nfs/dbraw/zinc/67/07/92/381670792.db2.gz OYWLZDJBFSPZLI-UHFFFAOYSA-N 2 0 296.842 2.754 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414957573 381652224 /nfs/dbraw/zinc/65/22/24/381652224.db2.gz WBFCACQVILLUEQ-PWSUYJOCSA-N 2 0 288.313 2.815 20 0 CFADRP FC(F)(F)c1cnc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414958804 381652614 /nfs/dbraw/zinc/65/26/14/381652614.db2.gz DJMLMVRIVXKOPE-SECBINFHSA-N 2 0 293.358 2.784 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414959079 381654021 /nfs/dbraw/zinc/65/40/21/381654021.db2.gz PKCOTQZYEWQLQG-CXAGYDPISA-N 2 0 284.403 2.936 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000415013651 381708165 /nfs/dbraw/zinc/70/81/65/381708165.db2.gz YTBCQZWTPACXEL-RRQGHBQHSA-N 2 0 288.435 2.660 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013810 381708410 /nfs/dbraw/zinc/70/84/10/381708410.db2.gz LAJMFERHPKGZMA-RNVIBTMRSA-N 2 0 262.397 2.816 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000415015264 381709757 /nfs/dbraw/zinc/70/97/57/381709757.db2.gz NXFFZEOTGSOHBU-JTQLQIEISA-N 2 0 286.322 2.615 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000415016726 381711541 /nfs/dbraw/zinc/71/15/41/381711541.db2.gz QLKCYDITYXDXRE-NWDGAFQWSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415019025 381712880 /nfs/dbraw/zinc/71/28/80/381712880.db2.gz VISXAIBCTBDFLG-CYBMUJFWSA-N 2 0 290.386 2.619 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415018741 381713091 /nfs/dbraw/zinc/71/30/91/381713091.db2.gz RFPYEJZQLBQNSW-MXWKQRLJSA-N 2 0 274.330 2.962 20 0 CFADRP COc1cc2c(cc1C[NH2+][C@@H](C)CCCC[NH3+])O[C@@H](C)C2 ZINC000415019410 381713842 /nfs/dbraw/zinc/71/38/42/381713842.db2.gz VSKVXRCCXPBBTC-STQMWFEESA-N 2 0 292.423 2.626 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415022122 381715140 /nfs/dbraw/zinc/71/51/40/381715140.db2.gz VGAJJZWFLIPFLM-GRYCIOLGSA-N 2 0 286.366 2.934 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000415020869 381715360 /nfs/dbraw/zinc/71/53/60/381715360.db2.gz XZAJWMYZEATRAD-KBPBESRZSA-N 2 0 288.439 2.991 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414980907 381675237 /nfs/dbraw/zinc/67/52/37/381675237.db2.gz XGWHJIKSRDMJII-CYBMUJFWSA-N 2 0 284.350 2.910 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)Cc1ccccc1 ZINC000414983651 381676620 /nfs/dbraw/zinc/67/66/20/381676620.db2.gz ZZVVUHDGEGARCZ-ZBFHGGJFSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)Cc1ccccc1 ZINC000414983649 381677783 /nfs/dbraw/zinc/67/77/83/381677783.db2.gz ZZVVUHDGEGARCZ-HOCLYGCPSA-N 2 0 260.425 2.843 20 0 CFADRP CCn1nc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000414992574 381684932 /nfs/dbraw/zinc/68/49/32/381684932.db2.gz BUODFLVAPAMQEC-ZIAGYGMSSA-N 2 0 286.423 2.663 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414991045 381684955 /nfs/dbraw/zinc/68/49/55/381684955.db2.gz PYUJCAPKDPSCNF-RRFJBIMHSA-N 2 0 250.361 2.789 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414991014 381685333 /nfs/dbraw/zinc/68/53/33/381685333.db2.gz PVLZVWPHCPOZIE-ZWNOBZJWSA-N 2 0 274.330 2.963 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000414998434 381689238 /nfs/dbraw/zinc/68/92/38/381689238.db2.gz QPQVOENTULOMAE-YGRLFVJLSA-N 2 0 254.324 2.572 20 0 CFADRP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415003143 381694477 /nfs/dbraw/zinc/69/44/77/381694477.db2.gz WTQBYLQKBNMEHE-ZFWWWQNUSA-N 2 0 262.397 2.611 20 0 CFADRP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415003140 381694932 /nfs/dbraw/zinc/69/49/32/381694932.db2.gz WTQBYLQKBNMEHE-DZGCQCFKSA-N 2 0 262.397 2.611 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000415004633 381696135 /nfs/dbraw/zinc/69/61/35/381696135.db2.gz YKQWJUDBYGXSIC-CJNGLKHVSA-N 2 0 284.407 2.684 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185664129 381697687 /nfs/dbraw/zinc/69/76/87/381697687.db2.gz VWASZHPQPCLMRG-ABFRBSLYSA-N 2 0 280.456 2.533 20 0 CFADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCO ZINC000298649076 381697788 /nfs/dbraw/zinc/69/77/88/381697788.db2.gz XIDGLVQPRQQJRC-QGZVFWFLSA-N 2 0 290.451 2.649 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)n1-c1ccccc1 ZINC000415005478 381697985 /nfs/dbraw/zinc/69/79/85/381697985.db2.gz ZEBVTQYNEBLYHX-JKSUJKDBSA-N 2 0 298.434 2.788 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415005079 381698991 /nfs/dbraw/zinc/69/89/91/381698991.db2.gz OTTLXNQDQDJWCA-VWNJHIHFSA-N 2 0 276.399 2.764 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000359967181 381702249 /nfs/dbraw/zinc/70/22/49/381702249.db2.gz VPXMPFVSBTZNTJ-CYBMUJFWSA-N 2 0 250.386 2.675 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000415011404 381703985 /nfs/dbraw/zinc/70/39/85/381703985.db2.gz HTAUCPGVFKEMLQ-MXWKQRLJSA-N 2 0 274.330 2.962 20 0 CFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccncc2)cc1 ZINC000415010024 381704270 /nfs/dbraw/zinc/70/42/70/381704270.db2.gz UQKNMNGCKKSULG-AEFFLSMTSA-N 2 0 299.393 2.704 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000415041438 381728440 /nfs/dbraw/zinc/72/84/40/381728440.db2.gz PWADOICVIGXEAZ-BDAKNGLRSA-N 2 0 289.242 2.728 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415073397 381758398 /nfs/dbraw/zinc/75/83/98/381758398.db2.gz BDKPXYCAFMIIHK-HIFPTAJRSA-N 2 0 252.427 2.786 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415046510 381732052 /nfs/dbraw/zinc/73/20/52/381732052.db2.gz CPBCZRRTMGLMNL-OAHLLOKOSA-N 2 0 292.423 2.646 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415048770 381733919 /nfs/dbraw/zinc/73/39/19/381733919.db2.gz XHVHWVPRFWGTSH-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000360024072 381734715 /nfs/dbraw/zinc/73/47/15/381734715.db2.gz NCXOTLYKUUPPGK-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)ccc2n1 ZINC000415051368 381736452 /nfs/dbraw/zinc/73/64/52/381736452.db2.gz ZHLXCRLQEYUFQZ-CZUORRHYSA-N 2 0 269.392 2.760 20 0 CFADRP COc1cc(C)nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415053256 381738139 /nfs/dbraw/zinc/73/81/39/381738139.db2.gz MFCVZBVBQXKIMI-SFHVURJKSA-N 2 0 299.418 2.968 20 0 CFADRP COc1cccc(CCC[NH2+]C[C@H]([NH3+])CC(C)C)c1 ZINC000415073363 381758842 /nfs/dbraw/zinc/75/88/42/381758842.db2.gz AYMPPHFVAFAALP-OAHLLOKOSA-N 2 0 264.413 2.591 20 0 CFADRP COc1ccsc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415054039 381740958 /nfs/dbraw/zinc/74/09/58/381740958.db2.gz PLEFBKYWSILYIT-OLZOCXBDSA-N 2 0 280.437 2.721 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059384 381745310 /nfs/dbraw/zinc/74/53/10/381745310.db2.gz WUFGLQIWNNZGJI-WBVHZDCISA-N 2 0 274.408 2.659 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415072896 381759480 /nfs/dbraw/zinc/75/94/80/381759480.db2.gz XFVXHVQGZOUGNW-UHFFFAOYSA-N 2 0 273.355 2.606 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000415067095 381753671 /nfs/dbraw/zinc/75/36/71/381753671.db2.gz KBBLVAHFTGRTNG-YJBOKZPZSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CCC[NH2+]C1CC1 ZINC000415069549 381754264 /nfs/dbraw/zinc/75/42/64/381754264.db2.gz OYMUPUAVHOPNLH-GFCCVEGCSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000360060215 381756176 /nfs/dbraw/zinc/75/61/76/381756176.db2.gz SRAYAECWYIKCSE-QFBILLFUSA-N 2 0 299.462 2.673 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415069949 381756306 /nfs/dbraw/zinc/75/63/06/381756306.db2.gz PRLCMQCZSXISDL-UHFFFAOYSA-N 2 0 258.365 2.973 20 0 CFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C[C@H]1CC=CCC1 ZINC000348889193 381756408 /nfs/dbraw/zinc/75/64/08/381756408.db2.gz CIKHIXZBNQAMLK-KRWDZBQOSA-N 2 0 281.488 2.548 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CCC[NH2+]C2CC2)C[C@H]1c1ccccc1 ZINC000415071708 381756913 /nfs/dbraw/zinc/75/69/13/381756913.db2.gz UIVJBMHTJMPRMY-IAOVAPTHSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000415069939 381757079 /nfs/dbraw/zinc/75/70/79/381757079.db2.gz YARUNRDVLABQMF-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000415024630 381718369 /nfs/dbraw/zinc/71/83/69/381718369.db2.gz PGUYVKXUGOOVJR-QMMMGPOBSA-N 2 0 266.332 2.984 20 0 CFADRP C[C@H]1C[C@@H]1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000348811731 381719528 /nfs/dbraw/zinc/71/95/28/381719528.db2.gz COKFFGPFDXCHDN-UONOGXRCSA-N 2 0 250.386 2.689 20 0 CFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415027408 381719475 /nfs/dbraw/zinc/71/94/75/381719475.db2.gz WQIHVOLSOLSRAF-NWDGAFQWSA-N 2 0 297.830 2.774 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000415027920 381720045 /nfs/dbraw/zinc/72/00/45/381720045.db2.gz XSGFMVGSYAMXBF-XYPYZODXSA-N 2 0 286.341 2.959 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1F ZINC000415027909 381720082 /nfs/dbraw/zinc/72/00/82/381720082.db2.gz XPFWDGLKVHQBGE-JOCQHMNTSA-N 2 0 280.387 2.689 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000415029929 381721759 /nfs/dbraw/zinc/72/17/59/381721759.db2.gz FCCLEPHIYLUOLH-ZYHUDNBSSA-N 2 0 272.314 2.922 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+])c1C ZINC000415028269 381721856 /nfs/dbraw/zinc/72/18/56/381721856.db2.gz YEWMQQWQLNCMJF-KBPBESRZSA-N 2 0 291.439 2.738 20 0 CFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031303 381722827 /nfs/dbraw/zinc/72/28/27/381722827.db2.gz GGHPGCOAHOJRGI-MVVXRAEJSA-N 2 0 270.829 2.530 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415031229 381723416 /nfs/dbraw/zinc/72/34/16/381723416.db2.gz FYBQLJHZPLGVBK-SEBNEYGDSA-N 2 0 250.430 2.789 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000415035007 381724827 /nfs/dbraw/zinc/72/48/27/381724827.db2.gz KGKYHFKYSGRAKD-KBXCAEBGSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415035099 381725178 /nfs/dbraw/zinc/72/51/78/381725178.db2.gz KMZYTDIBIAWYCI-PVAVHDDUSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415037318 381725747 /nfs/dbraw/zinc/72/57/47/381725747.db2.gz KWWYTTVPTAMOEF-ZBFHGGJFSA-N 2 0 260.425 2.985 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000415037956 381726656 /nfs/dbraw/zinc/72/66/56/381726656.db2.gz MXUAGYAYHXHYIH-JOYOIKCWSA-N 2 0 256.752 2.696 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)c2O1 ZINC000415038857 381726857 /nfs/dbraw/zinc/72/68/57/381726857.db2.gz NSOUUBMHAVYYHQ-SWLSCSKDSA-N 2 0 274.408 2.617 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1C[NH3+] ZINC000415100399 381782056 /nfs/dbraw/zinc/78/20/56/381782056.db2.gz AEDFSYVFZONODX-TZMCWYRMSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000343538352 381782909 /nfs/dbraw/zinc/78/29/09/381782909.db2.gz UYLLZAVTNVALJC-KSSFIOAISA-N 2 0 288.435 2.529 20 0 CFADRP CSc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415102277 381783527 /nfs/dbraw/zinc/78/35/27/381783527.db2.gz IOPRMFVOIRCQAQ-GXTWGEPZSA-N 2 0 264.438 2.886 20 0 CFADRP CC(C)c1nc(CC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000415103385 381783541 /nfs/dbraw/zinc/78/35/41/381783541.db2.gz KBUVTNYBFZTYDC-STQMWFEESA-N 2 0 281.469 2.787 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415104205 381783820 /nfs/dbraw/zinc/78/38/20/381783820.db2.gz KVDOQHZQPMSXBE-CRAIPNDOSA-N 2 0 298.434 2.552 20 0 CFADRP Cc1cc(CC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc(C)c1O ZINC000415107310 381784804 /nfs/dbraw/zinc/78/48/04/381784804.db2.gz OOONKGFEZZUFEC-GDBMZVCRSA-N 2 0 276.424 2.672 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)CC2CCCC2)CC1 ZINC000343543281 381786126 /nfs/dbraw/zinc/78/61/26/381786126.db2.gz XZPLTFVTBDELDD-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP Cc1cc(CC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc(C)c1O ZINC000415111158 381786864 /nfs/dbraw/zinc/78/68/64/381786864.db2.gz UBHQVUVRIBGBGL-HOCLYGCPSA-N 2 0 276.424 2.529 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000372294971 381787002 /nfs/dbraw/zinc/78/70/02/381787002.db2.gz MGNGHFQRKMUDTB-SJORKVTESA-N 2 0 280.456 2.752 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415121469 381791993 /nfs/dbraw/zinc/79/19/93/381791993.db2.gz HNDZSPNOQOQSTI-GOEBONIOSA-N 2 0 298.434 2.802 20 0 CFADRP C[C@H]1CC[N@H+](CCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000415122750 381792347 /nfs/dbraw/zinc/79/23/47/381792347.db2.gz IPHRNJVAPKDGPR-HOTGVXAUSA-N 2 0 276.424 2.762 20 0 CFADRP CCOCc1ccccc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415120362 381792490 /nfs/dbraw/zinc/79/24/90/381792490.db2.gz XZRBSBVNCSWIJT-LSDHHAIUSA-N 2 0 276.424 2.701 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415123871 381794700 /nfs/dbraw/zinc/79/47/00/381794700.db2.gz JVIFKQLAIAOXCG-WFASDCNBSA-N 2 0 292.471 2.672 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@]2(C)CC[NH2+]C2)cc1 ZINC000415075286 381760912 /nfs/dbraw/zinc/76/09/12/381760912.db2.gz BGCBZTFZELLIRR-MRXNPFEDSA-N 2 0 262.397 2.563 20 0 CFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415074732 381760956 /nfs/dbraw/zinc/76/09/56/381760956.db2.gz AQWUFWJHOJVVBF-XHSDSOJGSA-N 2 0 298.434 2.547 20 0 CFADRP CC(C)(C[NH2+]C[C@@]1(C)CC[NH2+]C1)Cc1ccccc1 ZINC000415078911 381763966 /nfs/dbraw/zinc/76/39/66/381763966.db2.gz HGYHVRRBSORHNX-KRWDZBQOSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2csc(-c3ccco3)n2)CC[NH2+]1 ZINC000415079529 381765761 /nfs/dbraw/zinc/76/57/61/381765761.db2.gz HXVHTLAKCVCJFC-NEPJUHHUSA-N 2 0 291.420 2.881 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000415080784 381765855 /nfs/dbraw/zinc/76/58/55/381765855.db2.gz JRXNAYLLARIVKQ-OIISXLGYSA-N 2 0 275.440 2.941 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415081150 381766001 /nfs/dbraw/zinc/76/60/01/381766001.db2.gz KGYCDNKYMPMDHV-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@]1(C[NH2+]CCc2ccc(Cl)s2)CC[NH2+]C1 ZINC000415083390 381769104 /nfs/dbraw/zinc/76/91/04/381769104.db2.gz NHJMBJSRHDRVCW-LBPRGKRZSA-N 2 0 258.818 2.533 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000415085230 381771257 /nfs/dbraw/zinc/77/12/57/381771257.db2.gz SDPAHPSGHQURDS-CVEARBPZSA-N 2 0 276.424 2.660 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415085705 381771975 /nfs/dbraw/zinc/77/19/75/381771975.db2.gz RAAXDQOCNRASDO-KNIAUWFNSA-N 2 0 282.472 2.935 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)ccc1C ZINC000415087685 381773118 /nfs/dbraw/zinc/77/31/18/381773118.db2.gz WITWPQUWHQBTGD-HIFRSBDPSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415089576 381775796 /nfs/dbraw/zinc/77/57/96/381775796.db2.gz YXOYQODZRYCDFO-JKSUJKDBSA-N 2 0 276.424 2.884 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000415088722 381775834 /nfs/dbraw/zinc/77/58/34/381775834.db2.gz MISBPAKGZUNOEX-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCCCO)CC1 ZINC000372219719 381776122 /nfs/dbraw/zinc/77/61/22/381776122.db2.gz ZJEICYPNGBXFLH-SFHVURJKSA-N 2 0 290.451 2.745 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1F ZINC000415091858 381776845 /nfs/dbraw/zinc/77/68/45/381776845.db2.gz RLFMAMIEGYLKOJ-OCCSQVGLSA-N 2 0 280.387 2.845 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000415091997 381776959 /nfs/dbraw/zinc/77/69/59/381776959.db2.gz RQVPVNNZOOOVLP-INIZCTEOSA-N 2 0 298.434 2.578 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000415090878 381777660 /nfs/dbraw/zinc/77/76/60/381777660.db2.gz PNYIVTASEXKLNE-RWMBFGLXSA-N 2 0 280.387 2.873 20 0 CFADRP CCN1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000343593764 381824232 /nfs/dbraw/zinc/82/42/32/381824232.db2.gz GLHCGIOBMRXSMC-MHORFTMASA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H](C)C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415136320 381801785 /nfs/dbraw/zinc/80/17/85/381801785.db2.gz RNXNGYPGRJPUQU-INIZCTEOSA-N 2 0 289.467 2.616 20 0 CFADRP CSCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000372417939 381812566 /nfs/dbraw/zinc/81/25/66/381812566.db2.gz ZLDCYDYMUJWBIT-CYBMUJFWSA-N 2 0 268.470 2.546 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000361928572 381873184 /nfs/dbraw/zinc/87/31/84/381873184.db2.gz WTRKTDBTCLZANY-AOTHYSKPSA-N 2 0 268.445 2.510 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000372809594 381874188 /nfs/dbraw/zinc/87/41/88/381874188.db2.gz ZBGZVKBEUFKXTA-KRWDZBQOSA-N 2 0 275.440 2.678 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000186437338 381910963 /nfs/dbraw/zinc/91/09/63/381910963.db2.gz IKQSIOPGCHXDEC-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356895610 381892216 /nfs/dbraw/zinc/89/22/16/381892216.db2.gz KRGJCJIBOXUIJW-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000299480544 381956798 /nfs/dbraw/zinc/95/67/98/381956798.db2.gz CSJSEWOKRFWGRM-MRXNPFEDSA-N 2 0 289.423 2.561 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000362201161 381957638 /nfs/dbraw/zinc/95/76/38/381957638.db2.gz OBZAEBUYNXBUMS-PVAVHDDUSA-N 2 0 288.435 2.652 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCO1 ZINC000356978148 381940153 /nfs/dbraw/zinc/94/01/53/381940153.db2.gz DIIZRRDYVVEAEX-YESZJQIVSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)CCO1 ZINC000356983899 381942865 /nfs/dbraw/zinc/94/28/65/381942865.db2.gz WVAUZZMTHYPWRZ-VQHPVUNQSA-N 2 0 282.472 2.854 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)CCO1 ZINC000356983900 381943596 /nfs/dbraw/zinc/94/35/96/381943596.db2.gz WVAUZZMTHYPWRZ-YLFCFFPRSA-N 2 0 282.472 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCC(C)C)C[C@@H]1C ZINC000362184207 381948979 /nfs/dbraw/zinc/94/89/79/381948979.db2.gz RUVNYFIOKOXFJS-HOTGVXAUSA-N 2 0 270.461 2.854 20 0 CFADRP Cc1cccc([C@@H]2CCCCC[N@@H+]2CCOCC[NH3+])c1 ZINC000357082236 382001945 /nfs/dbraw/zinc/00/19/45/382001945.db2.gz OXSQXYLNUSOWMS-KRWDZBQOSA-N 2 0 276.424 2.887 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc2cccnc12 ZINC000357110551 382012214 /nfs/dbraw/zinc/01/22/14/382012214.db2.gz ZJODDJNUZZOGHU-DLBZAZTESA-N 2 0 281.403 2.585 20 0 CFADRP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCOCC[NH3+] ZINC000357032682 381978272 /nfs/dbraw/zinc/97/82/72/381978272.db2.gz RRWACIBXSAYHKZ-SNVBAGLBSA-N 2 0 291.222 2.962 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCOC(C)(C)C)CC2)C1CC1 ZINC000374295861 382042243 /nfs/dbraw/zinc/04/22/43/382042243.db2.gz LOZOUFVOKFFJJR-OAHLLOKOSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)CC12CCCCC2 ZINC000351601473 382048455 /nfs/dbraw/zinc/04/84/55/382048455.db2.gz GIUVWEXUPRCURO-DOTOQJQBSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCSCC1 ZINC000186948498 382053907 /nfs/dbraw/zinc/05/39/07/382053907.db2.gz ZFUHPKUJGPUWNW-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]2CCCO[C@@H]21 ZINC000373524065 382018795 /nfs/dbraw/zinc/01/87/95/382018795.db2.gz QSGRIYXAPYGAEI-YWWDTZIBSA-N 2 0 292.467 2.797 20 0 CFADRP CCCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000343921751 382021316 /nfs/dbraw/zinc/02/13/16/382021316.db2.gz HLYUQXOXZJNFNK-ROUUACIJSA-N 2 0 290.451 2.964 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000362381720 382038877 /nfs/dbraw/zinc/03/88/77/382038877.db2.gz CTZOSYWYLLZSEK-HZPDHXFCSA-N 2 0 288.435 2.826 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180167 382039027 /nfs/dbraw/zinc/03/90/27/382039027.db2.gz YYXIMNGJYDSFFN-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)nc2C)C1 ZINC000187114805 382102507 /nfs/dbraw/zinc/10/25/07/382102507.db2.gz IWQWQZXEIGHAFG-INIZCTEOSA-N 2 0 275.440 2.862 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1cccnc1 ZINC000344069833 382106056 /nfs/dbraw/zinc/10/60/56/382106056.db2.gz LHGWLOGNBUFKTD-CYBMUJFWSA-N 2 0 293.374 2.822 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)N(C)C1CC1 ZINC000187168424 382119117 /nfs/dbraw/zinc/11/91/17/382119117.db2.gz IIPJTVILAAZVBK-NEPJUHHUSA-N 2 0 256.459 2.590 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](CCCCC3CCOCC3)[C@H]2C1 ZINC000375251179 382073894 /nfs/dbraw/zinc/07/38/94/382073894.db2.gz ZGYXSOALRUQVQZ-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000293346546 382088762 /nfs/dbraw/zinc/08/87/62/382088762.db2.gz GSZLWABKUZYINX-CJNGLKHVSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@H]1CCC[C@@H](CC[NH+]2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000362480212 382092331 /nfs/dbraw/zinc/09/23/31/382092331.db2.gz RDGOUHWUUNMSFC-HOTGVXAUSA-N 2 0 290.455 2.744 20 0 CFADRP C[C@H]1CCC[C@H](CC[NH+]2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000362480215 382092987 /nfs/dbraw/zinc/09/29/87/382092987.db2.gz RDGOUHWUUNMSFC-JKSUJKDBSA-N 2 0 290.455 2.744 20 0 CFADRP C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C[NH+](C)C ZINC000293366781 382095919 /nfs/dbraw/zinc/09/59/19/382095919.db2.gz HSGGKBCVTHLRKS-WMLDXEAASA-N 2 0 260.425 2.795 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]cc2-c2cccnc2)C1 ZINC000376771342 382172747 /nfs/dbraw/zinc/17/27/47/382172747.db2.gz GQKDAZBFNKUZEV-JKSUJKDBSA-N 2 0 296.418 2.850 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2cccnc2)C1 ZINC000376771341 382173242 /nfs/dbraw/zinc/17/32/42/382173242.db2.gz GQKDAZBFNKUZEV-HZPDHXFCSA-N 2 0 296.418 2.850 20 0 CFADRP CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362705770 382207193 /nfs/dbraw/zinc/20/71/93/382207193.db2.gz ZIVJCOWTSHFPQF-IAGOWNOFSA-N 2 0 281.488 2.525 20 0 CFADRP C1=CC[N@H+](CCNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000377072284 382209613 /nfs/dbraw/zinc/20/96/13/382209613.db2.gz IMBPUNWZNWTYGN-UHFFFAOYSA-N 2 0 291.483 2.635 20 0 CFADRP CCN1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)[C@@H](C)C1 ZINC000344227325 382214621 /nfs/dbraw/zinc/21/46/21/382214621.db2.gz STKDYKFZKOCZRJ-YJBOKZPZSA-N 2 0 289.467 2.568 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccncc1 ZINC000293656907 382219079 /nfs/dbraw/zinc/21/90/79/382219079.db2.gz IIFCHJYDIKBWCD-HNNXBMFYSA-N 2 0 261.413 2.998 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377543470 382287747 /nfs/dbraw/zinc/28/77/47/382287747.db2.gz QWBFOPPSJFRVMJ-SJORKVTESA-N 2 0 273.424 2.539 20 0 CFADRP COC[C@H](C)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187672235 382241063 /nfs/dbraw/zinc/24/10/63/382241063.db2.gz DOTUSZVJJTYAHN-OWCLPIDISA-N 2 0 270.461 2.617 20 0 CFADRP CC(C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377269751 382246309 /nfs/dbraw/zinc/24/63/09/382246309.db2.gz ZKMACHVRCJKNQE-UHFFFAOYSA-N 3 0 281.488 2.523 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344291704 382254856 /nfs/dbraw/zinc/25/48/56/382254856.db2.gz DFUIUOTUOYPBRJ-AWEZNQCLSA-N 2 0 274.408 2.998 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000352273530 382258287 /nfs/dbraw/zinc/25/82/87/382258287.db2.gz NVYQWNKTMVXTGR-ZBFHGGJFSA-N 2 0 276.424 2.645 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000344306622 382259795 /nfs/dbraw/zinc/25/97/95/382259795.db2.gz QSTLKZKLLWITMM-GFCCVEGCSA-N 2 0 250.411 2.969 20 0 CFADRP C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)C1CC[NH+](C)CC1 ZINC000680354905 542310909 /nfs/dbraw/zinc/31/09/09/542310909.db2.gz KIFCCFLOMRHVLU-YGRLFVJLSA-N 2 0 296.361 2.718 20 0 CFADRP C[C@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000680353633 542310941 /nfs/dbraw/zinc/31/09/41/542310941.db2.gz IXSONCJQVACUQC-HZPDHXFCSA-N 3 0 281.488 2.571 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000377397162 382264991 /nfs/dbraw/zinc/26/49/91/382264991.db2.gz JUJORPGBOMYLEO-BRWVUGGUSA-N 2 0 292.398 2.797 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000187777937 382266679 /nfs/dbraw/zinc/26/66/79/382266679.db2.gz QGNBPGVZASHWGZ-GJZGRUSLSA-N 2 0 290.455 2.948 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187967362 382311691 /nfs/dbraw/zinc/31/16/91/382311691.db2.gz VZWOHTZCXZQTAJ-YOEHRIQHSA-N 2 0 293.430 2.502 20 0 CFADRP C[N@H+](C[C@@H]1CCC=CO1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377688565 382319822 /nfs/dbraw/zinc/31/98/22/382319822.db2.gz CECYEXUPOPUVEB-KRWDZBQOSA-N 2 0 287.407 2.675 20 0 CFADRP CCCCOC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420293650 382345310 /nfs/dbraw/zinc/34/53/10/382345310.db2.gz AATIHAMINNGYAV-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@H+](Cc1ccncc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377697009 382323911 /nfs/dbraw/zinc/32/39/11/382323911.db2.gz JQWHPGPFCZXPEH-UHFFFAOYSA-N 2 0 282.391 2.577 20 0 CFADRP C[N@H+](Cc1ccccn1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377696806 382324067 /nfs/dbraw/zinc/32/40/67/382324067.db2.gz NNWDHNQDYOREKQ-UHFFFAOYSA-N 2 0 282.391 2.577 20 0 CFADRP C[C@H]1[N@H+](CCC[NH+]2CCCCC2)CCC12CCOCC2 ZINC000364599087 382334373 /nfs/dbraw/zinc/33/43/73/382334373.db2.gz LAZOKLDTKRENJN-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377757724 382336709 /nfs/dbraw/zinc/33/67/09/382336709.db2.gz AOMYCJMQJWMWKO-WBVHZDCISA-N 2 0 284.407 2.501 20 0 CFADRP C(CN1CCC[C@@H]1C[NH+]1CCCCCC1)C[NH+]1CCCC1 ZINC000364627371 382341186 /nfs/dbraw/zinc/34/11/86/382341186.db2.gz DYKYNZRKVOGVPO-GOSISDBHSA-N 2 0 293.499 2.813 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC000420298540 382348988 /nfs/dbraw/zinc/34/89/88/382348988.db2.gz HPEDRHFQDIKNTG-SQWLQELKSA-N 2 0 276.424 2.858 20 0 CFADRP Cc1ccccc1N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420298126 382349368 /nfs/dbraw/zinc/34/93/68/382349368.db2.gz GUEKIBVWWWKIFU-QGZVFWFLSA-N 2 0 287.451 2.507 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccsc2)O1 ZINC000420298559 382349384 /nfs/dbraw/zinc/34/93/84/382349384.db2.gz HQEUVRGSOKIBBJ-YCPHGPKFSA-N 2 0 294.464 2.900 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420299916 382349436 /nfs/dbraw/zinc/34/94/36/382349436.db2.gz JRNQGCWMYDYMBR-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420298805 382349761 /nfs/dbraw/zinc/34/97/61/382349761.db2.gz HWAIBFCCLMQLHI-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](c2ccsc2)O1 ZINC000420298557 382350441 /nfs/dbraw/zinc/35/04/41/382350441.db2.gz HQEUVRGSOKIBBJ-IJEWVQPXSA-N 2 0 294.464 2.900 20 0 CFADRP CCOc1ccccc1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420301694 382351546 /nfs/dbraw/zinc/35/15/46/382351546.db2.gz ITNDNQKIBVCNSY-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](c2ccsc2)O1 ZINC000420301613 382352101 /nfs/dbraw/zinc/35/21/01/382352101.db2.gz LQMGYGKLJOWXCQ-VNHYZAJKSA-N 2 0 280.437 2.510 20 0 CFADRP COc1ccc(C[N@H+](C[C@H](C)[NH3+])[C@H](C)C2CC2)cc1 ZINC000420302923 382353322 /nfs/dbraw/zinc/35/33/22/382353322.db2.gz JZXPYSOXDVBEKX-QWHCGFSZSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000420304892 382353375 /nfs/dbraw/zinc/35/33/75/382353375.db2.gz JJWCEFVENRXUOS-PGUXBMHVSA-N 2 0 264.800 2.996 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420304896 382354031 /nfs/dbraw/zinc/35/40/31/382354031.db2.gz JJWCEFVENRXUOS-ZIBATOQPSA-N 2 0 264.800 2.996 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000420307074 382355717 /nfs/dbraw/zinc/35/57/17/382355717.db2.gz QXCRQXWTFDLJNC-ZFWWWQNUSA-N 2 0 276.424 2.858 20 0 CFADRP Cc1csc([C@@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420306198 382356070 /nfs/dbraw/zinc/35/60/70/382356070.db2.gz ABHZHABJOHBJRD-KGLIPLIRSA-N 2 0 279.453 2.978 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCC1 ZINC000357868458 382356415 /nfs/dbraw/zinc/35/64/15/382356415.db2.gz FUTHNKQEQDTRJP-ARFHVFGLSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390649 382396839 /nfs/dbraw/zinc/39/68/39/382396839.db2.gz ZPGCIZOFZBDSOY-ZTFGCOKTSA-N 2 0 288.435 2.966 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420313640 382362417 /nfs/dbraw/zinc/36/24/17/382362417.db2.gz YHJAIGGHCDKOFS-MRXNPFEDSA-N 2 0 260.425 2.987 20 0 CFADRP COCC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000420317643 382363649 /nfs/dbraw/zinc/36/36/49/382363649.db2.gz NORYRZYDIVZGBO-JKSUJKDBSA-N 2 0 276.424 2.696 20 0 CFADRP CCc1csc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420321368 382366291 /nfs/dbraw/zinc/36/62/91/382366291.db2.gz RCAYJMSPPOIMRH-KGLIPLIRSA-N 2 0 293.480 2.885 20 0 CFADRP C[N@H+](CCCc1ccsc1)[C@@H]1CCC[NH2+]CC1 ZINC000420320656 382367243 /nfs/dbraw/zinc/36/72/43/382367243.db2.gz YUTBKUACQWCWRI-CQSZACIVSA-N 2 0 252.427 2.755 20 0 CFADRP CC(C)CCOC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420322195 382368629 /nfs/dbraw/zinc/36/86/29/382368629.db2.gz SDZJTOHVLJGMTA-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc(CCC[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420323419 382369332 /nfs/dbraw/zinc/36/93/32/382369332.db2.gz UFBMFWROWKINLA-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc(OCC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420327364 382370765 /nfs/dbraw/zinc/37/07/65/382370765.db2.gz YNSVOUKMWKPSLS-INIZCTEOSA-N 2 0 288.435 2.777 20 0 CFADRP CCC1CC[NH+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326332 382371512 /nfs/dbraw/zinc/37/15/12/382371512.db2.gz XGMMEWVJIIWEHQ-INIZCTEOSA-N 2 0 276.424 2.860 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000420326809 382371702 /nfs/dbraw/zinc/37/17/02/382371702.db2.gz XTWOZGHDTMRBIL-HIFRSBDPSA-N 2 0 264.413 2.714 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420327819 382371845 /nfs/dbraw/zinc/37/18/45/382371845.db2.gz YWRFBLMEXVLFBU-AWEZNQCLSA-N 2 0 282.453 2.586 20 0 CFADRP C[C@H]1CC[N@H+](CCCCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420398954 382397710 /nfs/dbraw/zinc/39/77/10/382397710.db2.gz HGRLBNWZNSZSDP-QWRGUYRKSA-N 2 0 252.324 2.636 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)c(Cl)c1 ZINC000420356274 382380788 /nfs/dbraw/zinc/38/07/88/382380788.db2.gz GLPLKWWZVJCBQW-NSHDSACASA-N 2 0 270.779 2.911 20 0 CFADRP C[C@@H](C[N@H+](C)CC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000420359797 382382324 /nfs/dbraw/zinc/38/23/24/382382324.db2.gz KUZCCGDTDHBKLX-STQMWFEESA-N 2 0 267.442 2.568 20 0 CFADRP c1nn([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000420358000 382382468 /nfs/dbraw/zinc/38/24/68/382382468.db2.gz IOIGCZLNVSVGNP-WBVHZDCISA-N 2 0 298.434 2.673 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCO1 ZINC000346498839 382386091 /nfs/dbraw/zinc/38/60/91/382386091.db2.gz SVCAZKIYCPAPRK-YJBOKZPZSA-N 2 0 288.435 2.940 20 0 CFADRP CCN(CC)c1ncc(CN2CCCC[C@@H]2CC[NH3+])s1 ZINC000352540260 382386369 /nfs/dbraw/zinc/38/63/69/382386369.db2.gz IVBRFEZCXQDVJP-CYBMUJFWSA-N 2 0 296.484 2.693 20 0 CFADRP c1cc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000420370809 382390527 /nfs/dbraw/zinc/39/05/27/382390527.db2.gz ZFHIFFASVBSOBX-OAHLLOKOSA-N 2 0 273.424 2.651 20 0 CFADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCOCC[NH3+] ZINC000420400155 382398435 /nfs/dbraw/zinc/39/84/35/382398435.db2.gz IJFMUIHTJNQRMB-INIZCTEOSA-N 2 0 264.413 2.647 20 0 CFADRP c1cc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)ccn1 ZINC000420370671 382390996 /nfs/dbraw/zinc/39/09/96/382390996.db2.gz YWEDLHZRNZRGRC-UHFFFAOYSA-N 2 0 273.424 2.651 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420376757 382392668 /nfs/dbraw/zinc/39/26/68/382392668.db2.gz REELEPJQVVITSS-FZMZJTMJSA-N 2 0 252.789 2.990 20 0 CFADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420375286 382392898 /nfs/dbraw/zinc/39/28/98/382392898.db2.gz PCEVMJWQNNBBMI-JKSUJKDBSA-N 2 0 290.455 2.820 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420376434 382393443 /nfs/dbraw/zinc/39/34/43/382393443.db2.gz JVQKBDMNELRXOT-GOEBONIOSA-N 2 0 276.424 2.545 20 0 CFADRP CC(C)(C)OC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000352558719 382395760 /nfs/dbraw/zinc/39/57/60/382395760.db2.gz YYTQLNCNTFDAGL-LQULJDIASA-N 2 0 266.429 2.549 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420295668 382347395 /nfs/dbraw/zinc/34/73/95/382347395.db2.gz CKXWERSNDOXHDJ-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420295670 382347631 /nfs/dbraw/zinc/34/76/31/382347631.db2.gz CKXWERSNDOXHDJ-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP C[N@H+](CCOc1ccccc1F)CC[C@@H]1CCC[NH2+]C1 ZINC000420297356 382348394 /nfs/dbraw/zinc/34/83/94/382348394.db2.gz DAXUFBKCFUZORN-AWEZNQCLSA-N 2 0 280.387 2.526 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1C ZINC000352635064 382426358 /nfs/dbraw/zinc/42/63/58/382426358.db2.gz BQWQYXBSYQYEDA-HOCLYGCPSA-N 2 0 298.434 2.659 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305164799 382430935 /nfs/dbraw/zinc/43/09/35/382430935.db2.gz YCMOVPWYATYJPG-LSDHHAIUSA-N 2 0 270.461 2.638 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000346610861 382436330 /nfs/dbraw/zinc/43/63/30/382436330.db2.gz RNMNSFRJCCJOFH-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000346610858 382436668 /nfs/dbraw/zinc/43/66/68/382436668.db2.gz RNMNSFRJCCJOFH-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC000378343223 382440369 /nfs/dbraw/zinc/44/03/69/382440369.db2.gz SCEKPNONYGEAQO-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420405087 382399656 /nfs/dbraw/zinc/39/96/56/382399656.db2.gz SSEBBBVFXKOQLI-MAUKXSAKSA-N 2 0 287.451 2.717 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420415717 382403121 /nfs/dbraw/zinc/40/31/21/382403121.db2.gz VCVREJDLTKOFKS-RHSMWYFYSA-N 2 0 260.425 2.708 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000346547717 382407448 /nfs/dbraw/zinc/40/74/48/382407448.db2.gz CNIJIEOMTYVWCC-LRDDRELGSA-N 2 0 280.387 2.544 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000358017579 382411356 /nfs/dbraw/zinc/41/13/56/382411356.db2.gz HXRXBCSUXFJEMJ-DOMZBBRYSA-N 2 0 262.372 2.756 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346633548 382446919 /nfs/dbraw/zinc/44/69/19/382446919.db2.gz FLGCZOCNOYRKPI-VQHVLOKHSA-N 2 0 262.397 2.625 20 0 CFADRP Cc1ccccc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000378182474 382413837 /nfs/dbraw/zinc/41/38/37/382413837.db2.gz IUDNYYFZQAYNRB-IAGOWNOFSA-N 2 0 258.409 2.911 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000358023825 382416010 /nfs/dbraw/zinc/41/60/10/382416010.db2.gz XXVHXUAEKZZGRR-QGZVFWFLSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000352612651 382417451 /nfs/dbraw/zinc/41/74/51/382417451.db2.gz QCWIJMYWEHNDNZ-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000358026838 382417801 /nfs/dbraw/zinc/41/78/01/382417801.db2.gz VGXFLKIGDKZYQO-WFASDCNBSA-N 2 0 282.815 2.649 20 0 CFADRP CSC1(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)CCC1 ZINC000306025400 382451076 /nfs/dbraw/zinc/45/10/76/382451076.db2.gz MSEIITPSMRQVTQ-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@](C)(O)C2CCCCC2)CC1 ZINC000188662440 382453225 /nfs/dbraw/zinc/45/32/25/382453225.db2.gz KJXDIBOPEHMTSM-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](CO)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000378403177 382455532 /nfs/dbraw/zinc/45/55/32/382455532.db2.gz MZMXQXJAMDQLOK-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP CCOc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OC ZINC000346650424 382455666 /nfs/dbraw/zinc/45/56/66/382455666.db2.gz CFSYTKHDSRHYCM-UHFFFAOYSA-N 2 0 280.412 2.511 20 0 CFADRP CCCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352727130 382461954 /nfs/dbraw/zinc/46/19/54/382461954.db2.gz TXEXDAIKIACZBU-UHFFFAOYSA-N 2 0 289.467 2.536 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000352784504 382472086 /nfs/dbraw/zinc/47/20/86/382472086.db2.gz VOZTZHWWDSGHJR-HUUCEWRRSA-N 2 0 297.418 2.618 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358137419 382464718 /nfs/dbraw/zinc/46/47/18/382464718.db2.gz GRJJIBYPCHGESF-GOEBONIOSA-N 2 0 299.418 2.543 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000346679492 382468106 /nfs/dbraw/zinc/46/81/06/382468106.db2.gz NDDQCCYQNVBROF-GOEBONIOSA-N 2 0 281.403 2.918 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000346735440 382494056 /nfs/dbraw/zinc/49/40/56/382494056.db2.gz RPZJACGVWDMZSN-XJKSGUPXSA-N 2 0 256.393 2.748 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000346693739 382477300 /nfs/dbraw/zinc/47/73/00/382477300.db2.gz PHILCSLHFGJXPI-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1SC ZINC000346693409 382478283 /nfs/dbraw/zinc/47/82/83/382478283.db2.gz MZTOTPJDPMGUMW-UHFFFAOYSA-N 2 0 282.453 2.834 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000308975903 382489198 /nfs/dbraw/zinc/48/91/98/382489198.db2.gz IKBJCEZHKYTPDD-VHSXEESVSA-N 2 0 271.202 2.695 20 0 CFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(CO)cc1 ZINC000309651091 382490617 /nfs/dbraw/zinc/49/06/17/382490617.db2.gz AGBKMUNXMBOVLJ-MRXNPFEDSA-N 2 0 298.430 2.789 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346815611 382527443 /nfs/dbraw/zinc/52/74/43/382527443.db2.gz CWQUQKQOLBQZSW-BHYGNILZSA-N 2 0 296.418 2.554 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CN(C)C[C@@H]2C)CCC1 ZINC000353158800 382503090 /nfs/dbraw/zinc/50/30/90/382503090.db2.gz ZJXARHCFASAGHY-HOCLYGCPSA-N 2 0 288.435 2.657 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000379896376 382509457 /nfs/dbraw/zinc/50/94/57/382509457.db2.gz HHOWJLIYNTXOQP-KBPBESRZSA-N 2 0 297.240 2.851 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000312256549 382512832 /nfs/dbraw/zinc/51/28/32/382512832.db2.gz LIURJBYVGKRWMG-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP CN(C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1)C1CC1 ZINC000312338028 382514447 /nfs/dbraw/zinc/51/44/47/382514447.db2.gz IKMIWPGTRSVBQX-ZBFHGGJFSA-N 2 0 282.472 2.590 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1 ZINC000346797545 382514991 /nfs/dbraw/zinc/51/49/91/382514991.db2.gz OELAAMLSXSOFNZ-VBQJREDUSA-N 2 0 276.424 2.699 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000346796506 382515800 /nfs/dbraw/zinc/51/58/00/382515800.db2.gz SDTJIXIAVMDHPI-RWMBFGLXSA-N 2 0 258.475 2.836 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCN1C ZINC000346797507 382515822 /nfs/dbraw/zinc/51/58/22/382515822.db2.gz OAACNTSHEZTNFB-HFBAOOFYSA-N 2 0 278.827 2.880 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188984984 382518568 /nfs/dbraw/zinc/51/85/68/382518568.db2.gz WQSRQRREAZCBSW-SJORKVTESA-N 2 0 260.425 2.939 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000358236606 382519351 /nfs/dbraw/zinc/51/93/51/382519351.db2.gz AKNINUUOELJNKC-DOTOQJQBSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346838894 382538321 /nfs/dbraw/zinc/53/83/21/382538321.db2.gz RWMVPIPVRBBYTN-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346841333 382539203 /nfs/dbraw/zinc/53/92/03/382539203.db2.gz VQGUZUYQIUXCMT-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP c1ccc(C[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346841895 382539594 /nfs/dbraw/zinc/53/95/94/382539594.db2.gz HQIMSXIRGKZWEG-DLBZAZTESA-N 2 0 258.409 2.551 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccn1 ZINC000353388403 382541285 /nfs/dbraw/zinc/54/12/85/382541285.db2.gz RHRCWYBEXYVTEM-RRFJBIMHSA-N 2 0 291.464 2.766 20 0 CFADRP c1ccc(OCC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346843573 382541729 /nfs/dbraw/zinc/54/17/29/382541729.db2.gz KHDZNJYNRJSELL-QGZVFWFLSA-N 2 0 288.435 2.777 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]21 ZINC000346856408 382547414 /nfs/dbraw/zinc/54/74/14/382547414.db2.gz WDCHJOCNYYIICL-DJIMGWMZSA-N 2 0 296.418 2.636 20 0 CFADRP CCc1nc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000328339050 382547779 /nfs/dbraw/zinc/54/77/79/382547779.db2.gz KVDDWCIFOGZONQ-RYUDHWBXSA-N 2 0 267.442 2.525 20 0 CFADRP c1ccc(COC[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000384117401 382548211 /nfs/dbraw/zinc/54/82/11/382548211.db2.gz FBUWQFKFAWWKLE-FUHWJXTLSA-N 2 0 288.435 2.525 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCOCc2ccccc2)CC[NH2+]1 ZINC000384153791 382550501 /nfs/dbraw/zinc/55/05/01/382550501.db2.gz JWXJJWONZCPZSV-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@H]2CCO[C@H](C)C2)CC1 ZINC000346871433 382553120 /nfs/dbraw/zinc/55/31/20/382553120.db2.gz VHYRCMYKGZHTEB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000346870188 382553324 /nfs/dbraw/zinc/55/33/24/382553324.db2.gz KYWYFSPDQRRZCU-UKRRQHHQSA-N 2 0 279.403 2.558 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000295097493 382576717 /nfs/dbraw/zinc/57/67/17/382576717.db2.gz SYPKPICIFGBMTL-ZWKOTPCHSA-N 2 0 290.451 2.518 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353528629 382557085 /nfs/dbraw/zinc/55/70/85/382557085.db2.gz ODOGGEPUAYQTQW-ZKLCHKPXSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1Br ZINC000384813618 382558290 /nfs/dbraw/zinc/55/82/90/382558290.db2.gz CSFRVUCMFUXFLU-UHFFFAOYSA-N 2 0 283.213 2.679 20 0 CFADRP C(C[NH+]1CCCCC1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189200260 382564305 /nfs/dbraw/zinc/56/43/05/382564305.db2.gz QJUNTAXGVDCRRL-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP C(C[NH+]1CCCCC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189200243 382564371 /nfs/dbraw/zinc/56/43/71/382564371.db2.gz QJUNTAXGVDCRRL-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP CC(C)C(C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000385350312 382569956 /nfs/dbraw/zinc/56/99/56/382569956.db2.gz BZBNJZLCCKRNND-AWEZNQCLSA-N 2 0 252.446 2.989 20 0 CFADRP FCCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000367458715 382571454 /nfs/dbraw/zinc/57/14/54/382571454.db2.gz NNJOWQKIJJMNMF-UHFFFAOYSA-N 2 0 256.409 2.934 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353601528 382573004 /nfs/dbraw/zinc/57/30/04/382573004.db2.gz AUXBAEBQYGZXQD-VSZNYVQBSA-N 2 0 294.483 2.638 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000358335236 382573563 /nfs/dbraw/zinc/57/35/63/382573563.db2.gz ATPLDCFQAXQIJN-WNRNVDISSA-N 2 0 295.515 2.815 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353603604 382574485 /nfs/dbraw/zinc/57/44/85/382574485.db2.gz GYTLOHWLYWWRNX-YESZJQIVSA-N 2 0 293.499 2.571 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189050968 382532446 /nfs/dbraw/zinc/53/24/46/382532446.db2.gz JRSLIJGPWFBSOH-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP COC1(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000318946387 382533233 /nfs/dbraw/zinc/53/32/33/382533233.db2.gz AKFFKMOWNDLDPP-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP COC1(C[N@H+](CCC[NH3+])Cc2ccccc2)CCCC1 ZINC000319261177 382533289 /nfs/dbraw/zinc/53/32/89/382533289.db2.gz ZGWFFDZATOUJGB-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346839725 382537452 /nfs/dbraw/zinc/53/74/52/382537452.db2.gz SQABMLBKJCLAEC-WBVHZDCISA-N 2 0 288.435 2.702 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367747354 382585247 /nfs/dbraw/zinc/58/52/47/382585247.db2.gz SAGKAKPVQCUOGH-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CCc1nc(C)c([C@@H](C)N(C)CC(C)(C)[NH3+])s1 ZINC000346967348 382591221 /nfs/dbraw/zinc/59/12/21/382591221.db2.gz DKSTZRLPNZCUAZ-SNVBAGLBSA-N 2 0 255.431 2.744 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000358369267 382592021 /nfs/dbraw/zinc/59/20/21/382592021.db2.gz PSKXGPCYPLFGLV-RDTXWAMCSA-N 2 0 298.434 2.517 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000353656147 382596863 /nfs/dbraw/zinc/59/68/63/382596863.db2.gz CPMQZJOKNQINRL-UHFFFAOYSA-N 2 0 275.440 2.596 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000388345053 382605941 /nfs/dbraw/zinc/60/59/41/382605941.db2.gz LOSYAYQYTOFCRZ-CLWVCHIJSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000388841263 382609564 /nfs/dbraw/zinc/60/95/64/382609564.db2.gz DJPFCSLNIWENJY-UGUYLWEFSA-N 2 0 268.445 2.702 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)ccc2F)C1 ZINC000295293943 382609907 /nfs/dbraw/zinc/60/99/07/382609907.db2.gz JHYKKEBLXZFNNU-CQSZACIVSA-N 2 0 294.414 2.998 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000389934595 382617048 /nfs/dbraw/zinc/61/70/48/382617048.db2.gz LHPUKHFHTUHUTQ-SOLBZPMBSA-N 2 0 290.451 2.960 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389955024 382617273 /nfs/dbraw/zinc/61/72/73/382617273.db2.gz YYDOYTDPLBCWIR-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCC1CCOCC1 ZINC000394056449 382625580 /nfs/dbraw/zinc/62/55/80/382625580.db2.gz CEEOCYWNJXAILD-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+](CC)[C@H](C)CNc1cc[nH+]cc1-c1cccnc1 ZINC000367635227 382579369 /nfs/dbraw/zinc/57/93/69/382579369.db2.gz ODCPONAVJBJAAB-CQSZACIVSA-N 2 0 284.407 2.708 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCOC1 ZINC000358345378 382580097 /nfs/dbraw/zinc/58/00/97/382580097.db2.gz NQXNLSUOFUKGPU-ULQDDVLXSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386066408 382581907 /nfs/dbraw/zinc/58/19/07/382581907.db2.gz YNTRWQUURKWZGZ-HOCLYGCPSA-N 2 0 268.445 2.846 20 0 CFADRP C[C@H]([NH2+]CCOCC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933625 382645902 /nfs/dbraw/zinc/64/59/02/382645902.db2.gz FJNMTXYMIINJOE-STQMWFEESA-N 2 0 290.398 2.511 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)C1CCCCC1 ZINC000190604125 382674962 /nfs/dbraw/zinc/67/49/62/382674962.db2.gz FWDVVXBQXDDCLH-SJORKVTESA-N 2 0 282.472 2.734 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190787567 382680783 /nfs/dbraw/zinc/68/07/83/382680783.db2.gz CZWHFJAOZINQTQ-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000191185504 382695046 /nfs/dbraw/zinc/69/50/46/382695046.db2.gz KWRSGTRUMWCZDI-ZFWWWQNUSA-N 2 0 292.471 2.939 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092753100 184625686 /nfs/dbraw/zinc/62/56/86/184625686.db2.gz XIMPAUQXFATFQH-AWEZNQCLSA-N 2 0 261.413 2.854 20 0 CFADRP CC(C)=CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000191632238 382701564 /nfs/dbraw/zinc/70/15/64/382701564.db2.gz HAPYUHXPJUJXGT-UHFFFAOYSA-N 2 0 262.397 2.683 20 0 CFADRP CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194124008 382735492 /nfs/dbraw/zinc/73/54/92/382735492.db2.gz VVKGMXAOESVJCD-WCXIOVBPSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000192390990 382708314 /nfs/dbraw/zinc/70/83/14/382708314.db2.gz JHSJTIBXTZMJTN-ZACQAIPSSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000193007426 382714483 /nfs/dbraw/zinc/71/44/83/382714483.db2.gz SOBNYZQLBZXTTK-IRXDYDNUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336834985 382728600 /nfs/dbraw/zinc/72/86/00/382728600.db2.gz SSKYXBMMHPSAMC-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)nc21 ZINC000337121587 382763056 /nfs/dbraw/zinc/76/30/56/382763056.db2.gz AKUZXFGOACTBSF-ZIAGYGMSSA-N 2 0 287.407 2.609 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc21 ZINC000337132587 382765415 /nfs/dbraw/zinc/76/54/15/382765415.db2.gz KJOCBURLBZFTRG-CABCVRRESA-N 2 0 299.418 2.895 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000337249708 382785526 /nfs/dbraw/zinc/78/55/26/382785526.db2.gz LZZFAKMYNXECDN-KRWDZBQOSA-N 2 0 281.488 2.667 20 0 CFADRP CC[C@H](CSC)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000217328240 382785804 /nfs/dbraw/zinc/78/58/04/382785804.db2.gz SVPAGJDHRFFHGI-LERXQTSPSA-N 2 0 250.411 2.862 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC(C)C ZINC000575353600 382760724 /nfs/dbraw/zinc/76/07/24/382760724.db2.gz HVRFPUNNNVERBD-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]21 ZINC000228476805 382846867 /nfs/dbraw/zinc/84/68/67/382846867.db2.gz OYKGHVXNPZKDKN-DJIMGWMZSA-N 2 0 281.403 2.794 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475411 382847088 /nfs/dbraw/zinc/84/70/88/382847088.db2.gz MXVHUXMRKKGCKN-USXIJHARSA-N 2 0 258.409 2.863 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229620164 382852666 /nfs/dbraw/zinc/85/26/66/382852666.db2.gz VNNVZPDLSCQMLU-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP [NH3+]C1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000220817410 382796876 /nfs/dbraw/zinc/79/68/76/382796876.db2.gz RFRAFASWXYLJSS-UHFFFAOYSA-N 2 0 273.424 2.515 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000337315150 382800295 /nfs/dbraw/zinc/80/02/95/382800295.db2.gz IXBSTFHQPQVQPH-GOSISDBHSA-N 2 0 293.499 2.691 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000229057110 382850169 /nfs/dbraw/zinc/85/01/69/382850169.db2.gz MIJAMXHOISCGDA-CJNGLKHVSA-N 2 0 283.419 2.960 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000337338958 382805088 /nfs/dbraw/zinc/80/50/88/382805088.db2.gz OFLQMQGWYPSWQD-GJZGRUSLSA-N 2 0 256.434 2.510 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229063680 382850201 /nfs/dbraw/zinc/85/02/01/382850201.db2.gz RTCHRSAWVDPBMA-ZFWWWQNUSA-N 2 0 262.397 2.502 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000576088265 382809715 /nfs/dbraw/zinc/80/97/15/382809715.db2.gz LHWXCGXUEQZTRJ-LBPRGKRZSA-N 2 0 275.371 2.738 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000224283994 382809923 /nfs/dbraw/zinc/80/99/23/382809923.db2.gz SPLQNRNJGKSBCP-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP CC[C@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000337397525 382815255 /nfs/dbraw/zinc/81/52/55/382815255.db2.gz GFPYIEBAJZRMBY-CWRNSKLLSA-N 2 0 261.413 2.805 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)oc1C ZINC000337419027 382817578 /nfs/dbraw/zinc/81/75/78/382817578.db2.gz FBINAFJFONOMSG-AWEZNQCLSA-N 2 0 293.455 2.573 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000337455535 382823862 /nfs/dbraw/zinc/82/38/62/382823862.db2.gz HNQBCZSVSUADEV-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000576475474 382824165 /nfs/dbraw/zinc/82/41/65/382824165.db2.gz DRGYPHLIEXQFGO-BBRMVZONSA-N 2 0 274.408 2.787 20 0 CFADRP C[C@H](c1c(F)cccc1F)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226435653 382828508 /nfs/dbraw/zinc/82/85/08/382828508.db2.gz FYZNIIBTDUIUSZ-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP COc1ccc(Cl)cc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000226435139 382828701 /nfs/dbraw/zinc/82/87/01/382828701.db2.gz SZPAZKARRQBORV-LBPRGKRZSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227067673 382832706 /nfs/dbraw/zinc/83/27/06/382832706.db2.gz FOPAUCKFXIXOTP-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227189681 382834841 /nfs/dbraw/zinc/83/48/41/382834841.db2.gz JAJREYGRIFIOAF-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227328849 382835558 /nfs/dbraw/zinc/83/55/58/382835558.db2.gz WXNDWJNAPZERLI-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CO)c1 ZINC000227457505 382837220 /nfs/dbraw/zinc/83/72/20/382837220.db2.gz BRTWACGCLZHZBH-YOEHRIQHSA-N 2 0 276.424 2.579 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1C ZINC000576865083 382839356 /nfs/dbraw/zinc/83/93/56/382839356.db2.gz XQMDVILGHIKICT-INIZCTEOSA-N 2 0 276.424 2.824 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@@H](C)C1 ZINC000576959129 382842946 /nfs/dbraw/zinc/84/29/46/382842946.db2.gz WOXUGOVKLULKJC-GJZGRUSLSA-N 2 0 284.488 2.884 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493925692 382906521 /nfs/dbraw/zinc/90/65/21/382906521.db2.gz MGHUKEFQNOWUBP-BRWVUGGUSA-N 2 0 288.435 2.843 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000577243536 382853153 /nfs/dbraw/zinc/85/31/53/382853153.db2.gz KFGNBYKFZPRRRA-GVDBMIGSSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337751776 382861283 /nfs/dbraw/zinc/86/12/83/382861283.db2.gz JMGYOKRPZKOTJP-KRWDZBQOSA-N 2 0 276.424 2.743 20 0 CFADRP CCn1c(C[NH2+]CC2(C)CC[NH2+]CC2)nc2ccccc21 ZINC000577708988 382868360 /nfs/dbraw/zinc/86/83/60/382868360.db2.gz VMFLCUZMOUFJLT-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1nccs1 ZINC000234039819 382873042 /nfs/dbraw/zinc/87/30/42/382873042.db2.gz WXGFZOLHFNZAOW-TUAOUCFPSA-N 2 0 253.415 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000577866063 382873510 /nfs/dbraw/zinc/87/35/10/382873510.db2.gz XEICDTWYTAXWLL-FQUUOJAGSA-N 2 0 262.372 2.931 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235385321 382879822 /nfs/dbraw/zinc/87/98/22/382879822.db2.gz JIVRPXKDANMGPN-XJKSGUPXSA-N 2 0 250.430 2.910 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000235691222 382885911 /nfs/dbraw/zinc/88/59/11/382885911.db2.gz NNYVELKBQGWTLG-WCQYABFASA-N 2 0 252.789 2.818 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000235697700 382886040 /nfs/dbraw/zinc/88/60/40/382886040.db2.gz MCUVFKZTDYTYQT-JSGCOSHPSA-N 2 0 250.361 2.646 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337996890 382894380 /nfs/dbraw/zinc/89/43/80/382894380.db2.gz ZXKDHCHQWOHQSU-IAGOWNOFSA-N 2 0 299.478 2.522 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000338012350 382901209 /nfs/dbraw/zinc/90/12/09/382901209.db2.gz QIKSSQZIPNDRON-IKGGRYGDSA-N 2 0 286.419 2.597 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Br)cc1 ZINC000422765302 532963878 /nfs/dbraw/zinc/96/38/78/532963878.db2.gz QTCHAJUPFJSUNB-MNOVXSKESA-N 2 0 285.229 2.707 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421834229 382938634 /nfs/dbraw/zinc/93/86/34/382938634.db2.gz ORBWVGYOIGEHDK-OLZOCXBDSA-N 2 0 299.846 2.742 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000236990136 382941311 /nfs/dbraw/zinc/94/13/11/382941311.db2.gz ASYZNDKDCGPMMH-JKSUJKDBSA-N 2 0 297.487 2.522 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000442695006 382945774 /nfs/dbraw/zinc/94/57/74/382945774.db2.gz VENBBRGSVUTNLG-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C/C=C\c2ccncc2)C1 ZINC000494990441 382950740 /nfs/dbraw/zinc/95/07/40/382950740.db2.gz AEZIPQKGDCWNEK-OSJSJHBBSA-N 2 0 273.424 2.759 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc(C)n1 ZINC000421860580 382951208 /nfs/dbraw/zinc/95/12/08/382951208.db2.gz UHXALJRCUCOYLQ-BBWFWOEESA-N 2 0 273.424 2.661 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421876810 382957538 /nfs/dbraw/zinc/95/75/38/382957538.db2.gz LDKNOBZCDKGKHV-LBDPXKHJSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877041 382962139 /nfs/dbraw/zinc/96/21/39/382962139.db2.gz QPHSXIQFLNSFMD-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000578348900 382913118 /nfs/dbraw/zinc/91/31/18/382913118.db2.gz ZFZVWZBZWWXXMV-RRLIJXGGSA-N 2 0 296.418 2.605 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877039 382962439 /nfs/dbraw/zinc/96/24/39/382962439.db2.gz QPHSXIQFLNSFMD-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423148620 532965205 /nfs/dbraw/zinc/96/52/05/532965205.db2.gz WEBJEISIBVQNCF-MNOVXSKESA-N 2 0 250.361 2.919 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccncn2)C1 ZINC000578497961 382925847 /nfs/dbraw/zinc/92/58/47/382925847.db2.gz PRZSAKLJVREABE-LESCRADOSA-N 2 0 296.418 2.673 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC[NH3+])cc2)C1 ZINC000237503295 382963514 /nfs/dbraw/zinc/96/35/14/382963514.db2.gz BATCKRNVBHWGME-AWEZNQCLSA-N 2 0 289.423 2.596 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000423022086 383016320 /nfs/dbraw/zinc/01/63/20/383016320.db2.gz HCFKRKXRFQMXOQ-IHRRRGAJSA-N 2 0 294.439 2.598 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422701437 382975084 /nfs/dbraw/zinc/97/50/84/382975084.db2.gz INBNWPQBQPFXBX-OAHLLOKOSA-N 2 0 296.842 2.715 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000444636791 382976817 /nfs/dbraw/zinc/97/68/17/382976817.db2.gz OGJRINLARHLETF-KGLIPLIRSA-N 2 0 268.445 2.797 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422737414 382976845 /nfs/dbraw/zinc/97/68/45/382976845.db2.gz IBEPIGKIRDNQBZ-ZACQAIPSSA-N 2 0 281.488 2.748 20 0 CFADRP C[C@H](OCCC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422779266 382979100 /nfs/dbraw/zinc/97/91/00/382979100.db2.gz FPMMZSDQLMOXTP-XIRDDKMYSA-N 2 0 276.424 2.871 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000422787671 382979377 /nfs/dbraw/zinc/97/93/77/382979377.db2.gz UWEOKBPEINOAFD-MLGOLLRUSA-N 2 0 262.397 2.790 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C12CCC2 ZINC000422787223 382979381 /nfs/dbraw/zinc/97/93/81/382979381.db2.gz UDMXRDRGUDYVAQ-CBBWQLFWSA-N 2 0 266.429 2.584 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422811941 382980281 /nfs/dbraw/zinc/98/02/81/382980281.db2.gz VLJVWMKFWSTMJV-BLLLJJGKSA-N 2 0 264.388 2.590 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000422811728 382980545 /nfs/dbraw/zinc/98/05/45/382980545.db2.gz WKEGAZPRINDNGK-IAGOWNOFSA-N 2 0 281.488 2.891 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422811729 382980899 /nfs/dbraw/zinc/98/08/99/382980899.db2.gz WKEGAZPRINDNGK-IRXDYDNUSA-N 2 0 281.488 2.891 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000548792212 382982482 /nfs/dbraw/zinc/98/24/82/382982482.db2.gz IANIZNKDDPGQLK-HUUCEWRRSA-N 2 0 291.439 2.681 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000422855795 382983735 /nfs/dbraw/zinc/98/37/35/382983735.db2.gz FFJNSZGBBCOONK-KNCCTNLNSA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000422882838 382985653 /nfs/dbraw/zinc/98/56/53/382985653.db2.gz BCZSQOKEOLQBCH-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000422886116 382986536 /nfs/dbraw/zinc/98/65/36/382986536.db2.gz HQOYFSRRWFMPED-JKSUJKDBSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000245628626 383017183 /nfs/dbraw/zinc/01/71/83/383017183.db2.gz RNDWFRQCPZAYBJ-VQHPVUNQSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548858949 382988087 /nfs/dbraw/zinc/98/80/87/382988087.db2.gz CABUJKWJTFAHDS-CGTJXYLNSA-N 2 0 288.435 2.905 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000422935716 382988189 /nfs/dbraw/zinc/98/81/89/382988189.db2.gz HOHIYHZMTSZFCG-KBUPBQIOSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000423024781 383017293 /nfs/dbraw/zinc/01/72/93/383017293.db2.gz MOVAIMXQRVZFRG-KBPBESRZSA-N 2 0 294.439 2.599 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548880681 382989002 /nfs/dbraw/zinc/98/90/02/382989002.db2.gz ZQTNNLPPJBUPDQ-UWVGGRQHSA-N 2 0 252.324 2.505 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000422967169 382990088 /nfs/dbraw/zinc/99/00/88/382990088.db2.gz BMFBEAXRKYBRFQ-GXTWGEPZSA-N 2 0 259.397 2.856 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422969645 382990102 /nfs/dbraw/zinc/99/01/02/382990102.db2.gz VAIBZQZGPGSDGF-HJWJTTGWSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000422973272 382991641 /nfs/dbraw/zinc/99/16/41/382991641.db2.gz OAGXTCGAPXHKPO-XIRDDKMYSA-N 2 0 258.409 2.891 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Oc1ccccc1 ZINC000422977032 382992262 /nfs/dbraw/zinc/99/22/62/382992262.db2.gz FMDRSXJFKCUYKR-BMFZPTHFSA-N 2 0 262.397 2.704 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000422977921 382994210 /nfs/dbraw/zinc/99/42/10/382994210.db2.gz XWZCGNMPFPKDNC-CHWSQXEVSA-N 2 0 299.418 2.836 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422981859 382995247 /nfs/dbraw/zinc/99/52/47/382995247.db2.gz UTRDETSYKFZMNG-BBWFWOEESA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H]1CCCC[NH+](C[C@@H](O)C[N@H+]2CCCC[C@H](C)C2)C1 ZINC000447304523 382995195 /nfs/dbraw/zinc/99/51/95/382995195.db2.gz WIZRWQYZXJTPCC-BJWYYQGGSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[C@H](C)[NH+](C)CC(O)C[N@@H+](C)[C@@H](C)CCC ZINC000447127918 382995307 /nfs/dbraw/zinc/99/53/07/382995307.db2.gz KKHHDIMGTIMKKA-KBPBESRZSA-N 2 0 258.450 2.588 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000423023574 383017671 /nfs/dbraw/zinc/01/76/71/383017671.db2.gz KBJUSUGAZMJPGU-JLJPHGGASA-N 2 0 276.424 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024536 383017738 /nfs/dbraw/zinc/01/77/38/383017738.db2.gz LWGDYUAHNUULCI-COLVAYQJSA-N 2 0 297.805 2.527 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423025117 383017750 /nfs/dbraw/zinc/01/77/50/383017750.db2.gz KQQSBAMORIMKNE-OXIQGZBJSA-N 2 0 268.376 2.617 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000422992607 383000158 /nfs/dbraw/zinc/00/01/58/383000158.db2.gz RPDBTTIDQMYDBQ-DZOHQFGASA-N 2 0 288.435 2.712 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000422992546 383000289 /nfs/dbraw/zinc/00/02/89/383000289.db2.gz RIOKZVJGACQXPP-DLBZAZTESA-N 2 0 298.434 2.930 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@@H]1CCC[C@H]1C ZINC000338355415 383001810 /nfs/dbraw/zinc/00/18/10/383001810.db2.gz JKEDWECXQLCFLJ-HZPDHXFCSA-N 2 0 270.461 2.855 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@H]1CN[C@H](C)c1c[nH+]ccc1N ZINC000422999326 383002731 /nfs/dbraw/zinc/00/27/31/383002731.db2.gz SJSKQIYKKLNXHG-CABCVRRESA-N 2 0 290.455 2.655 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422999425 383003216 /nfs/dbraw/zinc/00/32/16/383003216.db2.gz DYRRYPAURFFUDT-GDBMZVCRSA-N 2 0 296.842 2.964 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422999469 383004577 /nfs/dbraw/zinc/00/45/77/383004577.db2.gz FFTQZMUAOBSUNR-CZUORRHYSA-N 2 0 276.424 2.690 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423002650 383005806 /nfs/dbraw/zinc/00/58/06/383005806.db2.gz GLLMGKFHTUMLJI-UAXWRAGISA-N 2 0 262.397 2.518 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000423004967 383006948 /nfs/dbraw/zinc/00/69/48/383006948.db2.gz LEOJHIPNCNZZAZ-CJNGLKHVSA-N 2 0 299.418 2.851 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000423004150 383007262 /nfs/dbraw/zinc/00/72/62/383007262.db2.gz OFBOAMSDJHLWIX-SZMVWBNQSA-N 2 0 288.435 2.886 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423006218 383008371 /nfs/dbraw/zinc/00/83/71/383008371.db2.gz UPBMQUJMFAHIQX-ZDUSSCGKSA-N 2 0 284.831 2.964 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423012941 383009959 /nfs/dbraw/zinc/00/99/59/383009959.db2.gz LONIJFMIBNNREF-KEYYUXOJSA-N 2 0 276.424 2.604 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000245580773 383010389 /nfs/dbraw/zinc/01/03/89/383010389.db2.gz CHPWRENIQNIVPD-SJORKVTESA-N 2 0 258.409 2.960 20 0 CFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423013620 383011304 /nfs/dbraw/zinc/01/13/04/383011304.db2.gz GKZKUNAUKPHWKE-ROUUACIJSA-N 2 0 298.434 2.704 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013441 383011369 /nfs/dbraw/zinc/01/13/69/383011369.db2.gz MSUCPHUCGNFGMD-MLGOLLRUSA-N 2 0 294.389 2.974 20 0 CFADRP COc1cccc(C[C@@H]([NH2+][C@H](C)CCC[NH3+])C2CC2)c1 ZINC000423013869 383011427 /nfs/dbraw/zinc/01/14/27/383011427.db2.gz NQFCDLZRGRLXGR-CXAGYDPISA-N 2 0 276.424 2.733 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423013527 383011484 /nfs/dbraw/zinc/01/14/84/383011484.db2.gz FZFZWNNRMPMCKP-WCXIOVBPSA-N 2 0 294.483 2.686 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCc2ccccc2C1 ZINC000245596159 383012063 /nfs/dbraw/zinc/01/20/63/383012063.db2.gz LOBISQASZCZISR-ROUUACIJSA-N 2 0 272.436 2.960 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423015292 383012947 /nfs/dbraw/zinc/01/29/47/383012947.db2.gz QRAYJKXNCGORPP-OIISXLGYSA-N 2 0 275.440 2.539 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccncc1 ZINC000245609855 383013756 /nfs/dbraw/zinc/01/37/56/383013756.db2.gz KXIIYSPLYGUNPQ-HOTGVXAUSA-N 2 0 259.397 2.703 20 0 CFADRP CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423017245 383014129 /nfs/dbraw/zinc/01/41/29/383014129.db2.gz OEJLSDWFYHJIQN-PWSUYJOCSA-N 2 0 267.442 2.641 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423017857 383014157 /nfs/dbraw/zinc/01/41/57/383014157.db2.gz XGDGJODBLBRBTF-YJBOKZPZSA-N 2 0 298.434 2.724 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423019104 383015354 /nfs/dbraw/zinc/01/53/54/383015354.db2.gz TYPPYKAGSFNJEV-RLCCDNCMSA-N 2 0 298.377 2.902 20 0 CFADRP CCCc1csc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000578918955 382965734 /nfs/dbraw/zinc/96/57/34/382965734.db2.gz JJYQUAHYOZMFOM-TZMCWYRMSA-N 2 0 281.469 2.868 20 0 CFADRP CCCc1csc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000578918809 382965877 /nfs/dbraw/zinc/96/58/77/382965877.db2.gz JJYQUAHYOZMFOM-GXTWGEPZSA-N 2 0 281.469 2.868 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000578906627 382966088 /nfs/dbraw/zinc/96/60/88/382966088.db2.gz QGIHCOPPIMMQGY-BNOWGMLFSA-N 2 0 282.815 2.967 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443201667 382966610 /nfs/dbraw/zinc/96/66/10/382966610.db2.gz INHQDVVVWBISAE-UVBJJODRSA-N 2 0 290.382 2.722 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000237669191 382968946 /nfs/dbraw/zinc/96/89/46/382968946.db2.gz JGJGGWLWYVKRFA-OKILXGFUSA-N 2 0 282.453 2.727 20 0 CFADRP Cc1cccc(C[NH+]2CCC(Nc3ccccn3)CC2)n1 ZINC000578963082 382969298 /nfs/dbraw/zinc/96/92/98/382969298.db2.gz XXKAUJXFXUGMHQ-UHFFFAOYSA-N 2 0 282.391 2.862 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423047157 383028276 /nfs/dbraw/zinc/02/82/76/383028276.db2.gz GPHHURMJKIKTMV-JCKWVBRZSA-N 2 0 288.435 2.845 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423047161 383028409 /nfs/dbraw/zinc/02/84/09/383028409.db2.gz GPHHURMJKIKTMV-XUWXXGDYSA-N 2 0 288.435 2.845 20 0 CFADRP COc1ccccc1[C@@H](C[NH2+][C@H](C)CCC[NH3+])OC(C)C ZINC000423046999 383028792 /nfs/dbraw/zinc/02/87/92/383028792.db2.gz FPJLMDKUYGFHGA-RHSMWYFYSA-N 2 0 294.439 2.878 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCCCC1 ZINC000423045959 383029010 /nfs/dbraw/zinc/02/90/10/383029010.db2.gz DMXSGOPMMXZHMQ-RBSFLKMASA-N 2 0 268.445 2.689 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423047542 383030481 /nfs/dbraw/zinc/03/04/81/383030481.db2.gz GOPMMGKVORZNLZ-VQHPVUNQSA-N 2 0 288.435 2.840 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)Cc1ccccc1)C(C)C ZINC000579582743 383031058 /nfs/dbraw/zinc/03/10/58/383031058.db2.gz MMTQWCPXZFUONH-SFHVURJKSA-N 2 0 292.467 2.689 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423051504 383031182 /nfs/dbraw/zinc/03/11/82/383031182.db2.gz NPYVMPCWLUMXNL-GJZGRUSLSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423054361 383032669 /nfs/dbraw/zinc/03/26/69/383032669.db2.gz UPAMAPKFQGDCDD-LAVFITLUSA-N 2 0 288.435 2.884 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)C(C)C)CC[NH2+]CC1 ZINC000423053248 383033406 /nfs/dbraw/zinc/03/34/06/383033406.db2.gz ACNUAYFSBKYPKU-CQSZACIVSA-N 2 0 298.471 2.580 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423055664 383034084 /nfs/dbraw/zinc/03/40/84/383034084.db2.gz WUUOEDFTFBDYNK-WMHQRMGPSA-N 2 0 262.397 2.622 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCCCC1 ZINC000423058165 383034667 /nfs/dbraw/zinc/03/46/67/383034667.db2.gz BLBPNXLNQMXAMR-JKSUJKDBSA-N 2 0 282.472 2.951 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnccc2C)CC1 ZINC000579625392 383037633 /nfs/dbraw/zinc/03/76/33/383037633.db2.gz ZPRNUVZMSQKTIV-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cn(C)c2c1 ZINC000423064772 383037927 /nfs/dbraw/zinc/03/79/27/383037927.db2.gz ZSENZKSWIRQGCN-YOEHRIQHSA-N 2 0 285.435 2.759 20 0 CFADRP CCSc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccn1 ZINC000423066561 383038333 /nfs/dbraw/zinc/03/83/33/383038333.db2.gz XCMFZZMDCOJHQT-LBPRGKRZSA-N 2 0 267.442 2.801 20 0 CFADRP Cc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1Br ZINC000423064733 383038615 /nfs/dbraw/zinc/03/86/15/383038615.db2.gz AGQVRYBWEDCUQJ-NSHDSACASA-N 2 0 285.229 2.975 20 0 CFADRP CN(CCC[NH+](C)C)Cc1cccc2c1OC(C)(C)C2 ZINC000579647319 383038628 /nfs/dbraw/zinc/03/86/28/383038628.db2.gz KPZXJSVEYHQREM-UHFFFAOYSA-N 2 0 276.424 2.784 20 0 CFADRP C([C@H]1CCCO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245840398 383039684 /nfs/dbraw/zinc/03/96/84/383039684.db2.gz GFOMDXNMKCCVHF-DLBZAZTESA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423067585 383039694 /nfs/dbraw/zinc/03/96/94/383039694.db2.gz ZVFJGNBHPNDJAU-MPGHIAIKSA-N 2 0 289.467 2.612 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423075787 383041602 /nfs/dbraw/zinc/04/16/02/383041602.db2.gz PGTYNTQSSDXHSQ-FJIDUMEYSA-N 2 0 288.435 2.871 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@H](C)C3C[NH2+]C3)CCC2)cc1C ZINC000423086855 383041927 /nfs/dbraw/zinc/04/19/27/383041927.db2.gz MSHUQXOKSUMFRB-OAHLLOKOSA-N 2 0 272.436 2.923 20 0 CFADRP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423114426 383042385 /nfs/dbraw/zinc/04/23/85/383042385.db2.gz VQLDLTQOURCXDK-MHYDHLEJSA-N 2 0 284.447 2.912 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000423108208 383042466 /nfs/dbraw/zinc/04/24/66/383042466.db2.gz FSIPOKWLFBSHEJ-XFIYOXNOSA-N 2 0 268.445 2.687 20 0 CFADRP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423114427 383042508 /nfs/dbraw/zinc/04/25/08/383042508.db2.gz VQLDLTQOURCXDK-TUVJXNFZSA-N 2 0 284.447 2.912 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423116827 383042741 /nfs/dbraw/zinc/04/27/41/383042741.db2.gz RRSTZGIDOHTFSC-UGUYLWEFSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579694053 383043215 /nfs/dbraw/zinc/04/32/15/383043215.db2.gz SORNIJWCMSQYBC-OLZOCXBDSA-N 2 0 262.372 2.744 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423126821 383043807 /nfs/dbraw/zinc/04/38/07/383043807.db2.gz OVYSEOKVGOECLJ-QSPRXWTASA-N 2 0 288.435 2.950 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423131163 383044089 /nfs/dbraw/zinc/04/40/89/383044089.db2.gz ZKVFXXINLWRUHC-VVLHAWIVSA-N 2 0 274.408 2.624 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423144720 383045164 /nfs/dbraw/zinc/04/51/64/383045164.db2.gz HTFIHPYPVZGMPM-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)CC(F)(F)F ZINC000423178223 383047661 /nfs/dbraw/zinc/04/76/61/383047661.db2.gz ICOMYHWGPRYUFV-AXFHLTTASA-N 2 0 252.324 2.553 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246491351 383079141 /nfs/dbraw/zinc/07/91/41/383079141.db2.gz RYCPRSPIXRULCE-JJXSEGSLSA-N 2 0 268.445 2.510 20 0 CFADRP c1cncc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423213777 383050632 /nfs/dbraw/zinc/05/06/32/383050632.db2.gz OAMOALZFGQFQHE-CJNGLKHVSA-N 2 0 259.397 2.512 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000338784242 383051608 /nfs/dbraw/zinc/05/16/08/383051608.db2.gz HMYGGDLTELTWOE-KRWDZBQOSA-N 2 0 294.483 2.782 20 0 CFADRP C[NH2+]CCN[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423222495 383051999 /nfs/dbraw/zinc/05/19/99/383051999.db2.gz BHUWNUIPKNGXNT-NSHDSACASA-N 2 0 259.180 2.790 20 0 CFADRP CCNCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423241713 383053044 /nfs/dbraw/zinc/05/30/44/383053044.db2.gz VGWBKQXMNVYOEN-UHFFFAOYSA-N 2 0 289.467 2.629 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423251144 383053274 /nfs/dbraw/zinc/05/32/74/383053274.db2.gz RLCYBWHHBMSWGU-NEPJUHHUSA-N 2 0 279.453 2.672 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CC1 ZINC000338791758 383053305 /nfs/dbraw/zinc/05/33/05/383053305.db2.gz RNFWAYRIZWLKAF-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423264810 383053781 /nfs/dbraw/zinc/05/37/81/383053781.db2.gz ZEDLIEWVSVYFCH-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000423391249 383079470 /nfs/dbraw/zinc/07/94/70/383079470.db2.gz NKRYKSDSNOIHJG-MRXNPFEDSA-N 2 0 276.424 2.744 20 0 CFADRP c1csc([C@H]([NH2+]CC2C[NH2+]C2)C2CCCC2)c1 ZINC000423299776 383056854 /nfs/dbraw/zinc/05/68/54/383056854.db2.gz CJNVWJAARZYUKN-CQSZACIVSA-N 2 0 250.411 2.788 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423312715 383056886 /nfs/dbraw/zinc/05/68/86/383056886.db2.gz VKHLUNYDDFWVTI-QMTHXVAHSA-N 2 0 252.789 2.902 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccccc1N(C)C ZINC000423300835 383056910 /nfs/dbraw/zinc/05/69/10/383056910.db2.gz SEARROFHYUMWSO-ZIAGYGMSSA-N 2 0 263.429 2.921 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@@H](C)c1nc2ccccc2s1 ZINC000423304191 383056953 /nfs/dbraw/zinc/05/69/53/383056953.db2.gz NMFGRKGGMYLLBB-GHMZBOCLSA-N 2 0 275.421 2.597 20 0 CFADRP C[C@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423392671 383079565 /nfs/dbraw/zinc/07/95/65/383079565.db2.gz LPQZINZYCVSJNM-DOPJRALCSA-N 2 0 283.419 2.570 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423318315 383058082 /nfs/dbraw/zinc/05/80/82/383058082.db2.gz DPUNYDBXXGHMHQ-ABAIWWIYSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000423352220 383060261 /nfs/dbraw/zinc/06/02/61/383060261.db2.gz KESDRVITJAURJK-AWEZNQCLSA-N 2 0 296.418 2.657 20 0 CFADRP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1CCCCC1 ZINC000551984350 383061185 /nfs/dbraw/zinc/06/11/85/383061185.db2.gz BEDDRQYMNDHDOY-ZDUSSCGKSA-N 2 0 298.390 2.890 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353658 383061458 /nfs/dbraw/zinc/06/14/58/383061458.db2.gz BVSUZDZXVWILIO-NXHRZFHOSA-N 2 0 288.435 2.886 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423353032 383061482 /nfs/dbraw/zinc/06/14/82/383061482.db2.gz LGXXPZFXINNEER-RYRKJORJSA-N 2 0 285.435 2.863 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CC[C@H]1CCC[NH2+]1)CC2 ZINC000423356465 383062242 /nfs/dbraw/zinc/06/22/42/383062242.db2.gz JUMYQDCGRDROSQ-MRXNPFEDSA-N 2 0 258.409 2.666 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000423368273 383067268 /nfs/dbraw/zinc/06/72/68/383067268.db2.gz DGYBKBMUFODHSO-NFAWXSAZSA-N 2 0 278.371 2.899 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394686 383080875 /nfs/dbraw/zinc/08/08/75/383080875.db2.gz MXYHRUBUHKDHNA-GDZNZVCISA-N 2 0 271.408 2.555 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000579944722 383067759 /nfs/dbraw/zinc/06/77/59/383067759.db2.gz ZLBPDUFBUUJUMR-OAHLLOKOSA-N 2 0 264.438 2.606 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)CC[NH2+]1 ZINC000423370853 383068677 /nfs/dbraw/zinc/06/86/77/383068677.db2.gz DXMSZAKIPRULFR-XJKCOSOUSA-N 2 0 259.397 2.664 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000423373513 383069838 /nfs/dbraw/zinc/06/98/38/383069838.db2.gz HBSKHLQSUXIOLO-UJEKJILKSA-N 2 0 280.456 2.987 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423372858 383070364 /nfs/dbraw/zinc/07/03/64/383070364.db2.gz BLEOJTPQLMTRCS-JJXSEGSLSA-N 2 0 292.467 2.702 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccs1 ZINC000423379494 383073373 /nfs/dbraw/zinc/07/33/73/383073373.db2.gz CYQXWSGASOMHMG-ZDUSSCGKSA-N 2 0 282.453 2.805 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000423379871 383073494 /nfs/dbraw/zinc/07/34/94/383073494.db2.gz YBIVKPDPMBUDGD-KFWWJZLASA-N 2 0 282.815 2.887 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)COC2 ZINC000423379727 383073664 /nfs/dbraw/zinc/07/36/64/383073664.db2.gz NBVNWRVHGWCRBV-BFQNTYOBSA-N 2 0 260.381 2.508 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423379985 383073976 /nfs/dbraw/zinc/07/39/76/383073976.db2.gz MLRRKUDUGSIGAM-FXUDXRNXSA-N 2 0 296.455 2.619 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C(C)(C)c1ccccc1 ZINC000423382020 383074938 /nfs/dbraw/zinc/07/49/38/383074938.db2.gz DEKMIMBCLWFBBD-IJEWVQPXSA-N 2 0 260.425 2.940 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423027803 383018945 /nfs/dbraw/zinc/01/89/45/383018945.db2.gz PYQBVFFZJYVBMM-WMLDXEAASA-N 2 0 275.440 2.999 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423029543 383019675 /nfs/dbraw/zinc/01/96/75/383019675.db2.gz IHJBHJXTJVANHZ-UKRRQHHQSA-N 2 0 279.403 2.735 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423028800 383019961 /nfs/dbraw/zinc/01/99/61/383019961.db2.gz HEIQOYMOEYPGRT-ZWNOBZJWSA-N 2 0 286.341 2.624 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423031866 383020885 /nfs/dbraw/zinc/02/08/85/383020885.db2.gz DVMXPJLSOJRKKI-BRWVUGGUSA-N 2 0 293.499 2.619 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423032157 383021216 /nfs/dbraw/zinc/02/12/16/383021216.db2.gz DYHOYFIJOGPULS-KNIAUWFNSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423032804 383022347 /nfs/dbraw/zinc/02/23/47/383022347.db2.gz NDXARBDBWQGLAI-BBRMVZONSA-N 2 0 279.403 2.605 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000423035782 383022645 /nfs/dbraw/zinc/02/26/45/383022645.db2.gz KFAKFJPMLJMUCD-GHMZBOCLSA-N 2 0 290.436 2.760 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[NH3+])CCC2)cc1 ZINC000423035205 383022690 /nfs/dbraw/zinc/02/26/90/383022690.db2.gz RCFIZUMOVLDRIC-HZPDHXFCSA-N 2 0 274.408 2.586 20 0 CFADRP C[NH+](C)C1CC(NCc2cccc3c2OC(C)(C)C3)C1 ZINC000579494589 383023733 /nfs/dbraw/zinc/02/37/33/383023733.db2.gz SQDHYWIZVNIZJN-UHFFFAOYSA-N 2 0 274.408 2.582 20 0 CFADRP Fc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1F ZINC000423038492 383025200 /nfs/dbraw/zinc/02/52/00/383025200.db2.gz YUVQWQUUWLTJDZ-FOSCPWQOSA-N 2 0 284.325 2.519 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000423042061 383025957 /nfs/dbraw/zinc/02/59/57/383025957.db2.gz YLBKSJCCLUAZJP-CJNGLKHVSA-N 2 0 291.439 2.849 20 0 CFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])OC(C)C ZINC000423045103 383027549 /nfs/dbraw/zinc/02/75/49/383027549.db2.gz BKXCKIJNOHXPJS-VBQJREDUSA-N 2 0 294.439 2.877 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423044596 383027651 /nfs/dbraw/zinc/02/76/51/383027651.db2.gz BPRQTGIAMFFLBC-KBMXLJTQSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423492907 383119915 /nfs/dbraw/zinc/11/99/15/383119915.db2.gz OYTAGDNQZWAJHP-YSVLISHTSA-N 2 0 298.434 2.959 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000423492961 383120424 /nfs/dbraw/zinc/12/04/24/383120424.db2.gz PDFAPGDWWJWOLF-INWMFGNUSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)c(F)c(F)c1 ZINC000423493725 383120465 /nfs/dbraw/zinc/12/04/65/383120465.db2.gz QWMSWSHCAXHWCS-QXEWZRGKSA-N 2 0 272.314 2.882 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423494329 383120485 /nfs/dbraw/zinc/12/04/85/383120485.db2.gz CYLUWFCRBVNDAA-HBNTYKKESA-N 2 0 254.399 2.535 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423496565 383121564 /nfs/dbraw/zinc/12/15/64/383121564.db2.gz WZSWLZBZXYPVPO-OAGGEKHMSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cc2n(n1)CCC2 ZINC000423499904 383122144 /nfs/dbraw/zinc/12/21/44/383122144.db2.gz BQARYDQQQJICBN-YOEHRIQHSA-N 2 0 298.434 2.960 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1(C)C ZINC000423500679 383124213 /nfs/dbraw/zinc/12/42/13/383124213.db2.gz IOQMKNWITNQZPS-ZQDZILKHSA-N 2 0 268.445 2.543 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423541825 383126107 /nfs/dbraw/zinc/12/61/07/383126107.db2.gz FTACNTUPZNMOSD-STQMWFEESA-N 2 0 256.459 2.627 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527791 383126422 /nfs/dbraw/zinc/12/64/22/383126422.db2.gz MTOWAMBHSHFQOO-QSPRXWTASA-N 2 0 258.409 2.910 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423545940 383127140 /nfs/dbraw/zinc/12/71/40/383127140.db2.gz PPRUBXQGZCRFJD-RGCMKSIDSA-N 2 0 291.464 2.807 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247004778 383130664 /nfs/dbraw/zinc/13/06/64/383130664.db2.gz LXFPJPSYIGMUCC-JKSUJKDBSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247003684 383130997 /nfs/dbraw/zinc/13/09/97/383130997.db2.gz LSQWLQAFZYVIKW-BZUAXINKSA-N 2 0 276.424 2.692 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1C ZINC000247070198 383139250 /nfs/dbraw/zinc/13/92/50/383139250.db2.gz OEZTXZTZWOBZHH-IRXDYDNUSA-N 2 0 289.467 2.894 20 0 CFADRP CCC[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)[NH+](C)C ZINC000458266092 383146949 /nfs/dbraw/zinc/14/69/49/383146949.db2.gz DDKCHUXMFFNHCM-MRXNPFEDSA-N 2 0 291.439 2.725 20 0 CFADRP C1CC2(CCOCC2)[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000554558324 383141950 /nfs/dbraw/zinc/14/19/50/383141950.db2.gz LHCXNXNPDIMNTN-GPANFISMSA-N 2 0 278.440 2.552 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C2CC2)cc1 ZINC000423395382 383081181 /nfs/dbraw/zinc/08/11/81/383081181.db2.gz SRUVIRVAGYMEQB-YLQAJVPDSA-N 2 0 274.408 2.876 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423396615 383081876 /nfs/dbraw/zinc/08/18/76/383081876.db2.gz UATHOUHVJOJSHZ-IJEWVQPXSA-N 2 0 261.413 2.695 20 0 CFADRP CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccn1 ZINC000423401049 383083506 /nfs/dbraw/zinc/08/35/06/383083506.db2.gz GAZNSEQRYFQEFO-OAHLLOKOSA-N 2 0 291.439 2.529 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423405676 383085033 /nfs/dbraw/zinc/08/50/33/383085033.db2.gz YGKRSEGXZLTHAF-TUAOUCFPSA-N 2 0 296.386 2.763 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423409338 383086406 /nfs/dbraw/zinc/08/64/06/383086406.db2.gz YSZABVMCUYRMCH-HFBAOOFYSA-N 2 0 262.372 2.864 20 0 CFADRP CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCC1 ZINC000423411809 383087695 /nfs/dbraw/zinc/08/76/95/383087695.db2.gz VHYULRNAMDQFNW-HNNXBMFYSA-N 2 0 268.445 2.561 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCC(C)(C)C)CCC[NH2+]1 ZINC000423411332 383088109 /nfs/dbraw/zinc/08/81/09/383088109.db2.gz FMAKSVRJEXOIOC-UKRRQHHQSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000423416064 383089087 /nfs/dbraw/zinc/08/90/87/383089087.db2.gz BPRVKOWKRNNFJF-MGPQQGTHSA-N 2 0 290.407 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C12CCCC2 ZINC000423426547 383091636 /nfs/dbraw/zinc/09/16/36/383091636.db2.gz FHOVYTLHMRKVLN-VVLHAWIVSA-N 2 0 292.467 2.702 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C12CCCC2 ZINC000423426546 383091913 /nfs/dbraw/zinc/09/19/13/383091913.db2.gz FHOVYTLHMRKVLN-HZMVEIRTSA-N 2 0 292.467 2.702 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CCOCC1 ZINC000552902832 383092909 /nfs/dbraw/zinc/09/29/09/383092909.db2.gz HGHBUUWFGGDSNC-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccn1 ZINC000423430617 383093388 /nfs/dbraw/zinc/09/33/88/383093388.db2.gz IAJAJGVEUWGTPE-BHYGNILZSA-N 2 0 273.424 2.901 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423432085 383093407 /nfs/dbraw/zinc/09/34/07/383093407.db2.gz QPOWSIHOSIVQJB-KKUMJFAQSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423431244 383093906 /nfs/dbraw/zinc/09/39/06/383093906.db2.gz IOIAMLPSHNYRTO-HZUKXOBISA-N 2 0 262.372 2.864 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422807858 532971392 /nfs/dbraw/zinc/97/13/92/532971392.db2.gz NMPCGGSMAXDNQK-JTQLQIEISA-N 2 0 256.390 2.765 20 0 CFADRP c1ccc([C@H](CC2CCC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423441124 383097232 /nfs/dbraw/zinc/09/72/32/383097232.db2.gz UHNMPTZMJGGYSQ-VVLHAWIVSA-N 2 0 256.393 2.725 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(Cl)cn1 ZINC000423444002 383098029 /nfs/dbraw/zinc/09/80/29/383098029.db2.gz WCWBSAHHQQRLPW-WDEREUQCSA-N 2 0 255.793 2.903 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423443195 383098180 /nfs/dbraw/zinc/09/81/80/383098180.db2.gz QHZAEROUXJIMMQ-UHOFOFEASA-N 2 0 274.408 2.734 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423446071 383099012 /nfs/dbraw/zinc/09/90/12/383099012.db2.gz SKZPUGWPVZFWPQ-RJZRQDKASA-N 2 0 250.430 2.789 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449918 383099573 /nfs/dbraw/zinc/09/95/73/383099573.db2.gz WXSBIJSZXBQHFR-YVSFHVDLSA-N 2 0 294.483 2.948 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1F ZINC000423452005 383101055 /nfs/dbraw/zinc/10/10/55/383101055.db2.gz JGVCUIGWLIXLTI-GXFFZTMASA-N 2 0 288.794 2.884 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423454283 383101547 /nfs/dbraw/zinc/10/15/47/383101547.db2.gz CGXKLZWBOQXCFP-YDHLFZDLSA-N 2 0 292.423 2.872 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2ccccc21 ZINC000423455616 383101556 /nfs/dbraw/zinc/10/15/56/383101556.db2.gz CTNWAQJLPAMBDP-KWAPNLSSSA-N 2 0 256.393 2.779 20 0 CFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584421549 383101757 /nfs/dbraw/zinc/10/17/57/383101757.db2.gz USDOOWQJUYDRDW-RBSFLKMASA-N 2 0 292.423 2.570 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423456058 383101975 /nfs/dbraw/zinc/10/19/75/383101975.db2.gz NMZDRIHMPOUSHK-WBMJQRKESA-N 2 0 262.397 2.790 20 0 CFADRP COc1cc(CN2CC[C@H]([NH3+])C[C@H]2C)ccc1OC(C)C ZINC000584418398 383101970 /nfs/dbraw/zinc/10/19/70/383101970.db2.gz ZXKVTAABUQGAAR-HIFRSBDPSA-N 2 0 292.423 2.794 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423459186 383102842 /nfs/dbraw/zinc/10/28/42/383102842.db2.gz QXFDIKNTTUXWAC-SWLSCSKDSA-N 2 0 264.438 2.734 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423458349 383102858 /nfs/dbraw/zinc/10/28/58/383102858.db2.gz JQJBTNABBRDKCY-GZBFAFLISA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000423457020 383102997 /nfs/dbraw/zinc/10/29/97/383102997.db2.gz OMJKSLSLWIDXQW-BFHYXJOUSA-N 2 0 294.439 2.913 20 0 CFADRP CC[C@H]([NH3+])CN[C@H](C)c1ccc(Br)cc1 ZINC000423462625 383105234 /nfs/dbraw/zinc/10/52/34/383105234.db2.gz KWQYBBQIUDBAHH-SKDRFNHKSA-N 2 0 271.202 2.837 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)c1nc2ccccc2s1 ZINC000423463849 383105564 /nfs/dbraw/zinc/10/55/64/383105564.db2.gz WEDQSXZQCYQWJT-VINAVUOLSA-N 2 0 287.432 2.596 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000423467519 383107134 /nfs/dbraw/zinc/10/71/34/383107134.db2.gz JDSFNBBHBDHJOK-SMLCLMEVSA-N 2 0 280.456 2.689 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422806452 532971797 /nfs/dbraw/zinc/97/17/97/532971797.db2.gz KTWLCEUIZIPTRU-NXEZZACHSA-N 2 0 256.390 2.763 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423473095 383109523 /nfs/dbraw/zinc/10/95/23/383109523.db2.gz NQKBPRCJPFCTHA-ABFRBSLYSA-N 2 0 276.424 2.870 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247119759 383144971 /nfs/dbraw/zinc/14/49/71/383144971.db2.gz PPTBLWQOPOGGHH-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584540428 383111984 /nfs/dbraw/zinc/11/19/84/383111984.db2.gz YQMIMYYNTPPQND-QZTJIDSGSA-N 3 0 289.467 2.886 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478735 383112290 /nfs/dbraw/zinc/11/22/90/383112290.db2.gz LFNZMCUFISETSR-NWDGAFQWSA-N 2 0 268.426 2.940 20 0 CFADRP CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479849 383112396 /nfs/dbraw/zinc/11/23/96/383112396.db2.gz VGMIEPBWVKZDDP-IVMMDQJWSA-N 2 0 264.388 2.907 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478734 383112970 /nfs/dbraw/zinc/11/29/70/383112970.db2.gz LFNZMCUFISETSR-NEPJUHHUSA-N 2 0 268.426 2.940 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000246878497 383116225 /nfs/dbraw/zinc/11/62/25/383116225.db2.gz DVRWDRQIYLWWIN-YOEHRIQHSA-N 2 0 290.476 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000246878473 383116446 /nfs/dbraw/zinc/11/64/46/383116446.db2.gz DVRWDRQIYLWWIN-PBHICJAKSA-N 2 0 290.476 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000247116759 383145294 /nfs/dbraw/zinc/14/52/94/383145294.db2.gz MATXYEOIDGITPT-SJORKVTESA-N 2 0 273.424 2.657 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(F)c(F)c3)CC[C@H]21 ZINC000246887288 383117561 /nfs/dbraw/zinc/11/75/61/383117561.db2.gz VDILXWLNYVGOGW-WMLDXEAASA-N 2 0 294.389 2.923 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423488549 383117732 /nfs/dbraw/zinc/11/77/32/383117732.db2.gz DVLZVOLUDZXUPS-QILLFSRXSA-N 2 0 298.434 2.709 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCC2)[C@@H](C)C1 ZINC000246895069 383118093 /nfs/dbraw/zinc/11/80/93/383118093.db2.gz DZIXPHHRGBGPPT-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423488551 383118191 /nfs/dbraw/zinc/11/81/91/383118191.db2.gz DVLZVOLUDZXUPS-ZVZYQTTQSA-N 2 0 298.434 2.709 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423490048 383118239 /nfs/dbraw/zinc/11/82/39/383118239.db2.gz HISUKZHCENBUHP-MRRJBJDNSA-N 2 0 274.408 2.790 20 0 CFADRP COC1(CC[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCC1 ZINC000339006065 383118434 /nfs/dbraw/zinc/11/84/34/383118434.db2.gz QJOANFBRMOEBNM-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449095539 383173819 /nfs/dbraw/zinc/17/38/19/383173819.db2.gz ZFJSERBLHBQWOT-HIFRSBDPSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449105374 383176713 /nfs/dbraw/zinc/17/67/13/383176713.db2.gz DGCGNEVLBZKBGX-HNNXBMFYSA-N 2 0 295.515 2.959 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1conc1C ZINC000339177092 383177115 /nfs/dbraw/zinc/17/71/15/383177115.db2.gz MSRIURCHUNISDL-GFCCVEGCSA-N 2 0 253.390 2.583 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC12CCCCC2)N1CC[NH+](C)CC1 ZINC000449136652 383179743 /nfs/dbraw/zinc/17/97/43/383179743.db2.gz VSUSBPHUCFTQHG-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000449156200 383181459 /nfs/dbraw/zinc/18/14/59/383181459.db2.gz CYKCVJQGHAERPE-CVYDXHPNSA-N 2 0 294.483 2.902 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449196671 383183699 /nfs/dbraw/zinc/18/36/99/383183699.db2.gz YWPMTMDSDIPZKI-ZACQAIPSSA-N 2 0 292.467 2.677 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000566564904 383189392 /nfs/dbraw/zinc/18/93/92/383189392.db2.gz ZFAQRBKRKFNLDX-LSDHHAIUSA-N 2 0 297.402 2.691 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000566587358 383191415 /nfs/dbraw/zinc/19/14/15/383191415.db2.gz BFZNTFKXFGJUHL-MAUKXSAKSA-N 2 0 298.434 2.644 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cncn2C(C)C)CC1 ZINC000424152860 383192073 /nfs/dbraw/zinc/19/20/73/383192073.db2.gz JDOWHPARNGTZRE-UHFFFAOYSA-N 2 0 278.444 2.676 20 0 CFADRP C[C@H](CC[NH+](C)C)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424152902 383192081 /nfs/dbraw/zinc/19/20/81/383192081.db2.gz JGPSYTXYUBEVHD-GDBMZVCRSA-N 2 0 297.487 2.521 20 0 CFADRP CC(C)n1cncc1CNCC[N@H+](C)C1CCCCC1 ZINC000424157542 383193338 /nfs/dbraw/zinc/19/33/38/383193338.db2.gz PUXFHEVMMIURJZ-UHFFFAOYSA-N 2 0 278.444 2.818 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566689286 383201105 /nfs/dbraw/zinc/20/11/05/383201105.db2.gz QIHCWPFXFYKGCC-STQMWFEESA-N 2 0 268.401 2.907 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283222 383202743 /nfs/dbraw/zinc/20/27/43/383202743.db2.gz BBSPAPSPDNXUEB-HNNXBMFYSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1cc(C)cc(OCCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424331788 383203971 /nfs/dbraw/zinc/20/39/71/383203971.db2.gz JXIQIZSNZVEWGV-IAGOWNOFSA-N 2 0 276.424 2.932 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000248030328 383207679 /nfs/dbraw/zinc/20/76/79/383207679.db2.gz QGMPBFXFTPHBCJ-FUHWJXTLSA-N 2 0 289.467 2.833 20 0 CFADRP Cc1cccc(CC[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000449302177 383207985 /nfs/dbraw/zinc/20/79/85/383207985.db2.gz JLMYAWSRUKYQPB-UHFFFAOYSA-N 2 0 260.425 2.955 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000247182474 383150610 /nfs/dbraw/zinc/15/06/10/383150610.db2.gz ZGIAATIFXCOJMJ-ARFHVFGLSA-N 2 0 293.455 2.735 20 0 CFADRP Cc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1C[NH+](C)C ZINC000458293189 383154358 /nfs/dbraw/zinc/15/43/58/383154358.db2.gz UTWHXRNZSVPYMH-MRXNPFEDSA-N 2 0 291.439 2.581 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3)CC[C@H]21 ZINC000247269498 383158114 /nfs/dbraw/zinc/15/81/14/383158114.db2.gz YAGHQBVJXHEHNQ-ZIAGYGMSSA-N 2 0 250.411 2.664 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)C1CCCC1 ZINC000449079042 383165663 /nfs/dbraw/zinc/16/56/63/383165663.db2.gz NVPNNOXZVOZPJJ-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000248481655 383248549 /nfs/dbraw/zinc/24/85/49/383248549.db2.gz BJVZKNMTZYHMOW-SCRDCRAPSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342098526 296344442 /nfs/dbraw/zinc/34/44/42/296344442.db2.gz IJMRQGMGZANINO-XAJHFOFHSA-N 2 0 280.456 2.641 20 0 CFADRP C1=C(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOC1 ZINC000449403651 383268570 /nfs/dbraw/zinc/26/85/70/383268570.db2.gz QQJDWORZCZERJS-UHFFFAOYSA-N 2 0 278.440 2.720 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1sccc1Br ZINC000567375616 383270232 /nfs/dbraw/zinc/27/02/32/383270232.db2.gz YACYVDKUAQWCHV-PRJMDXOYSA-N 2 0 277.231 2.897 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)C1 ZINC000567406131 383272492 /nfs/dbraw/zinc/27/24/92/383272492.db2.gz DXWHRGGHUWKFFT-RBSFLKMASA-N 2 0 291.414 2.512 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000567439960 383274421 /nfs/dbraw/zinc/27/44/21/383274421.db2.gz YOHNPYWTLZRAJM-QWHCGFSZSA-N 2 0 282.378 3.000 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000567440175 383274701 /nfs/dbraw/zinc/27/47/01/383274701.db2.gz UYBYIFRATWXNRL-CAOSSQGBSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000248630580 383275153 /nfs/dbraw/zinc/27/51/53/383275153.db2.gz QNFOKYIZZNRKJB-JKSUJKDBSA-N 2 0 296.455 2.524 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000248162077 383215989 /nfs/dbraw/zinc/21/59/89/383215989.db2.gz SICPMZAVBCQEQU-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CN(Cc1cc2cccnc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449323162 383216952 /nfs/dbraw/zinc/21/69/52/383216952.db2.gz SHCSENBRGVEAQF-YIONKMFJSA-N 2 0 285.391 2.885 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248166063 383217088 /nfs/dbraw/zinc/21/70/88/383217088.db2.gz SZSGAMISKVPBHO-YOEHRIQHSA-N 2 0 294.414 2.713 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423161643 532976881 /nfs/dbraw/zinc/97/68/81/532976881.db2.gz JNJSIMNCRNSXJY-ISWURRPUSA-N 2 0 258.409 2.581 20 0 CFADRP C(COCC1CCC1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000519539063 383223281 /nfs/dbraw/zinc/22/32/81/383223281.db2.gz LAGUYNSWCHNJSW-BBWFWOEESA-N 2 0 280.456 2.704 20 0 CFADRP CSC1(C[NH2+][C@H](C)Cc2ccoc2)CC[NH+](C)CC1 ZINC000449334328 383223855 /nfs/dbraw/zinc/22/38/55/383223855.db2.gz IXCRTDVXAJKDQZ-CYBMUJFWSA-N 2 0 282.453 2.628 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000567062252 383239254 /nfs/dbraw/zinc/23/92/54/383239254.db2.gz XSLNEUSLCBVEDS-FVQBIDKESA-N 2 0 291.414 2.512 20 0 CFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)C ZINC000248434729 383242258 /nfs/dbraw/zinc/24/22/58/383242258.db2.gz DZJKRFZONICBBO-MSOLQXFVSA-N 2 0 290.451 2.777 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248434985 383242416 /nfs/dbraw/zinc/24/24/16/383242416.db2.gz FFKRNJPPDPMYRK-PBHICJAKSA-N 2 0 276.424 2.531 20 0 CFADRP FC1(F)CC(CC[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000519866444 383243816 /nfs/dbraw/zinc/24/38/16/383243816.db2.gz WQTLAXNBIRKGHF-UHFFFAOYSA-N 2 0 272.383 2.886 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248451506 383244648 /nfs/dbraw/zinc/24/46/48/383244648.db2.gz PNDBYFZUTZGTFQ-YJBOKZPZSA-N 2 0 290.451 2.779 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000567897019 383328285 /nfs/dbraw/zinc/32/82/85/383328285.db2.gz SDDARGWYMSTACB-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000567897018 383328611 /nfs/dbraw/zinc/32/86/11/383328611.db2.gz SDDARGWYMSTACB-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000634732657 383334359 /nfs/dbraw/zinc/33/43/59/383334359.db2.gz LJKSVOGIFPFIMF-CQSZACIVSA-N 2 0 268.351 2.833 20 0 CFADRP COc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732623 383334389 /nfs/dbraw/zinc/33/43/89/383334389.db2.gz KNIYGETVVLHYOQ-CQSZACIVSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000634733086 383335280 /nfs/dbraw/zinc/33/52/80/383335280.db2.gz WYLLKGYPMNCNKD-CYBMUJFWSA-N 2 0 280.387 2.702 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000249303948 383339127 /nfs/dbraw/zinc/33/91/27/383339127.db2.gz IHXCVSSIFXQSPM-WTTBNOFXSA-N 2 0 283.504 2.671 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249380147 383342575 /nfs/dbraw/zinc/34/25/75/383342575.db2.gz POGAWRWXMAWKJD-CTASWTNQSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](CO)C(C)C ZINC000449510165 383345986 /nfs/dbraw/zinc/34/59/86/383345986.db2.gz KRYPSFVSOGWYPB-DLBZAZTESA-N 2 0 284.488 2.738 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000449436092 383292979 /nfs/dbraw/zinc/29/29/79/383292979.db2.gz CWYKTYISVINREW-OIISXLGYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000248814791 383293137 /nfs/dbraw/zinc/29/31/37/383293137.db2.gz AEGNSWFEHQRUQT-NXHRZFHOSA-N 2 0 288.435 2.666 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248823548 383293477 /nfs/dbraw/zinc/29/34/77/383293477.db2.gz FODFDIFOKFJCGG-MNFFZHCASA-N 2 0 268.470 2.875 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000567639114 383296625 /nfs/dbraw/zinc/29/66/25/383296625.db2.gz WKOXYOIPAUARRI-OAHLLOKOSA-N 2 0 286.423 2.911 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000459775678 383296676 /nfs/dbraw/zinc/29/66/76/383296676.db2.gz JOSKDNRUYMJCTD-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459775948 383296802 /nfs/dbraw/zinc/29/68/02/383296802.db2.gz JSGKYJFRXQMRAN-FXUDXRNXSA-N 2 0 280.456 2.512 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459796055 383297640 /nfs/dbraw/zinc/29/76/40/383297640.db2.gz VZRWKTTWSZUOPS-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@H]([NH2+]CCC[NH+]1CCCCC1)C1(CO)CCC1 ZINC000339735717 383301396 /nfs/dbraw/zinc/30/13/96/383301396.db2.gz BKJKNUCWRNCQOY-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248882168 383303272 /nfs/dbraw/zinc/30/32/72/383303272.db2.gz LBZISWMIUUDLON-MKXAEBJUSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1ncsc1CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449466135 383310501 /nfs/dbraw/zinc/31/05/01/383310501.db2.gz DSRZTVRXPLPTQO-UHFFFAOYSA-N 2 0 281.469 2.847 20 0 CFADRP C[C@H](C[NH+]1C[C@@H](C)[C@H](C)C1)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464831148 383314365 /nfs/dbraw/zinc/31/43/65/383314365.db2.gz JOEJYUAIHBFJHT-QCODTGAPSA-N 2 0 252.446 2.798 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422720627 296344988 /nfs/dbraw/zinc/34/49/88/296344988.db2.gz ZVGJOMNKVSDGMM-FPCVCCKLSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249031973 383318924 /nfs/dbraw/zinc/31/89/24/383318924.db2.gz RKMSOJNLAGDKDL-FRKNIRMPSA-N 2 0 288.435 2.713 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)C1CCCCC1 ZINC000249034642 383319151 /nfs/dbraw/zinc/31/91/51/383319151.db2.gz FWDVVXBQXDDCLH-IAGOWNOFSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249031970 383319778 /nfs/dbraw/zinc/31/97/78/383319778.db2.gz RKMSOJNLAGDKDL-AVAUJXNBSA-N 2 0 288.435 2.713 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000567834065 383320214 /nfs/dbraw/zinc/32/02/14/383320214.db2.gz JDDAFMQHTJPXAV-INIZCTEOSA-N 2 0 289.423 2.607 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C1 ZINC000568295014 383389757 /nfs/dbraw/zinc/38/97/57/383389757.db2.gz MKXJWYGOUAWWMD-KBPBESRZSA-N 2 0 275.371 2.709 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000251765673 383395189 /nfs/dbraw/zinc/39/51/89/383395189.db2.gz UPPMQYQLHLOJKA-RCCFBDPRSA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000252163899 383404997 /nfs/dbraw/zinc/40/49/97/383404997.db2.gz QESZMNFVJUMSAZ-VSZNYVQBSA-N 2 0 295.515 2.673 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000340287327 383405828 /nfs/dbraw/zinc/40/58/28/383405828.db2.gz ZNFGSUOZBNYPIL-AWEZNQCLSA-N 2 0 291.439 2.701 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC23CCCC3)CC1(C)C ZINC000340380016 383416814 /nfs/dbraw/zinc/41/68/14/383416814.db2.gz BZYUXJUGYCGMKT-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449761614 383365345 /nfs/dbraw/zinc/36/53/45/383365345.db2.gz ZGUMJKFINBUBGX-QKPAOTATSA-N 2 0 266.429 2.551 20 0 CFADRP CCCC1CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000479944593 383413851 /nfs/dbraw/zinc/41/38/51/383413851.db2.gz WCRUMTMIZNMTPV-STONLHKKSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@]1(C)CCCO1 ZINC000340171086 383367181 /nfs/dbraw/zinc/36/71/81/383367181.db2.gz HLJZINLALHRXOQ-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000340175381 383369943 /nfs/dbraw/zinc/36/99/43/383369943.db2.gz YFBHNNRPCPAESZ-GOEBONIOSA-N 2 0 276.424 2.763 20 0 CFADRP c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250075091 383370264 /nfs/dbraw/zinc/37/02/64/383370264.db2.gz DGDMECIZIRIWRG-BFHYXJOUSA-N 2 0 250.411 2.758 20 0 CFADRP Fc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000250070275 383370331 /nfs/dbraw/zinc/37/03/31/383370331.db2.gz NVYZBFXAQTZJRB-GOEBONIOSA-N 2 0 289.398 2.669 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340185214 383372911 /nfs/dbraw/zinc/37/29/11/383372911.db2.gz JCBUHGBDONMQCG-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250256821 383373763 /nfs/dbraw/zinc/37/37/63/383373763.db2.gz XBIHISOXLNDBIW-LSDHHAIUSA-N 2 0 292.423 2.523 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000425362683 383376370 /nfs/dbraw/zinc/37/63/70/383376370.db2.gz VNNIMHWVOSFCOA-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250582358 383377670 /nfs/dbraw/zinc/37/76/70/383377670.db2.gz JTVJHOYBDRYAQJ-BZUAXINKSA-N 2 0 268.445 2.702 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+]CCCN2CCC2)c1 ZINC000568236183 383378947 /nfs/dbraw/zinc/37/89/47/383378947.db2.gz CXYNIKQPAXYZQA-UHFFFAOYSA-N 2 0 272.314 2.891 20 0 CFADRP Cc1ncncc1[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000568236855 383379550 /nfs/dbraw/zinc/37/95/50/383379550.db2.gz WVDLAWXPIIBCAA-KBPBESRZSA-N 2 0 276.428 2.700 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250826913 383381471 /nfs/dbraw/zinc/38/14/71/383381471.db2.gz HTTXJGIAWNMLCM-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C1 ZINC000568247865 383381689 /nfs/dbraw/zinc/38/16/89/383381689.db2.gz ZKVWCXXAMDOEJM-MNOVXSKESA-N 2 0 286.778 2.717 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000474482914 383384591 /nfs/dbraw/zinc/38/45/91/383384591.db2.gz QDZOHUBJZVUTDP-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000474727032 383384784 /nfs/dbraw/zinc/38/47/84/383384784.db2.gz QIZCILFYOUCYRY-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1nc(CNCCC[N@@H+](C)C2CCCCC2)[nH]c1C ZINC000568273199 383386209 /nfs/dbraw/zinc/38/62/09/383386209.db2.gz MOSHHJAHYUQPBA-UHFFFAOYSA-N 2 0 278.444 2.771 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340476892 383435433 /nfs/dbraw/zinc/43/54/33/383435433.db2.gz IWCUDHVAPXKYHC-CQSZACIVSA-N 2 0 278.444 2.645 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccncc1F ZINC000340476203 383436154 /nfs/dbraw/zinc/43/61/54/383436154.db2.gz FVOAOSDZLQYBSS-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@@H](O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450494801 383436945 /nfs/dbraw/zinc/43/69/45/383436945.db2.gz OXLDCOYIFKVEMP-HZPDHXFCSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000340482104 383437583 /nfs/dbraw/zinc/43/75/83/383437583.db2.gz DTTJAHSDYWXQPX-DZUCGIPZSA-N 2 0 258.409 2.720 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568782340 383437662 /nfs/dbraw/zinc/43/76/62/383437662.db2.gz NBSUCQOKNNROKM-YCPHGPKFSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCCN1CC2CCC1(C[NH3+])CC2 ZINC000569239390 383481425 /nfs/dbraw/zinc/48/14/25/383481425.db2.gz XBODUJSAHZSMFE-GYXIZQIFSA-N 2 0 280.456 2.785 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000252889719 383438780 /nfs/dbraw/zinc/43/87/80/383438780.db2.gz FEZWCELYTJWZTC-UKRRQHHQSA-N 2 0 292.423 2.524 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000450504205 383441940 /nfs/dbraw/zinc/44/19/40/383441940.db2.gz UDWWFMCNYUUTEP-MJBXVCDLSA-N 2 0 272.383 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCC2)[C@H](C)C1 ZINC000483253199 383443644 /nfs/dbraw/zinc/44/36/44/383443644.db2.gz BORPEBJRWSEPBZ-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP [NH3+]CCC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000568870034 383444908 /nfs/dbraw/zinc/44/49/08/383444908.db2.gz KJNQGJTWQHFUHW-UHFFFAOYSA-N 2 0 278.465 2.981 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000340507023 383447266 /nfs/dbraw/zinc/44/72/66/383447266.db2.gz FIRHPXMLQDNDJV-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP c1ccc(CC2([NH2+]CC34CC(C3)C[NH2+]4)CCCC2)cc1 ZINC000634993647 383449525 /nfs/dbraw/zinc/44/95/25/383449525.db2.gz AREOSVNIPVAAEM-UHFFFAOYSA-N 2 0 270.420 2.884 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000527099217 383453186 /nfs/dbraw/zinc/45/31/86/383453186.db2.gz KGCVUMIHIWXNGQ-QGZVFWFLSA-N 2 0 278.440 2.769 20 0 CFADRP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000634998621 383453935 /nfs/dbraw/zinc/45/39/35/383453935.db2.gz IOXJSGHBUKEBAP-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000484305216 383455297 /nfs/dbraw/zinc/45/52/97/383455297.db2.gz IAWKBGHNGYNCGG-UNEWFSDZSA-N 2 0 294.414 2.913 20 0 CFADRP C[C@]1(C[NH+]2CCC(Oc3ccccc3F)CC2)CC[NH2+]C1 ZINC000634999296 383455398 /nfs/dbraw/zinc/45/53/98/383455398.db2.gz SCXJULFQBJACLA-KRWDZBQOSA-N 2 0 292.398 2.669 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1O ZINC000635003934 383459316 /nfs/dbraw/zinc/45/93/16/383459316.db2.gz GAIXDEKQNDUTDN-OBJOEFQTSA-N 2 0 278.396 2.569 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000635003253 383459380 /nfs/dbraw/zinc/45/93/80/383459380.db2.gz HMLJEHCPSORMLB-BVIHXZOGSA-N 2 0 282.815 2.885 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000635003707 383459471 /nfs/dbraw/zinc/45/94/71/383459471.db2.gz AZZYQMFWAXBRRC-VVLHAWIVSA-N 3 0 293.499 2.665 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(C)n1 ZINC000635003742 383459545 /nfs/dbraw/zinc/45/95/45/383459545.db2.gz FGINROGXHLWATF-KKUMJFAQSA-N 2 0 261.413 2.867 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(C)s1 ZINC000635003241 383459908 /nfs/dbraw/zinc/45/99/08/383459908.db2.gz BAOPFGAAKRQPJP-XDTLVQLUSA-N 2 0 267.442 2.928 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cccc(CO)c1 ZINC000635003851 383460083 /nfs/dbraw/zinc/46/00/83/383460083.db2.gz BMGYFFZGBOMDAZ-KXBFYZLASA-N 2 0 298.430 2.790 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000635005025 383460357 /nfs/dbraw/zinc/46/03/57/383460357.db2.gz GVKAMLPXAAOHFL-SQWLQELKSA-N 2 0 273.424 2.706 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004849 383460699 /nfs/dbraw/zinc/46/06/99/383460699.db2.gz GSMXJDZGQPVFEX-XEZPLFJOSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006506 383463239 /nfs/dbraw/zinc/46/32/39/383463239.db2.gz RQEOYHJMAGWNOC-HUBLWGQQSA-N 2 0 292.398 2.929 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000635006551 383463244 /nfs/dbraw/zinc/46/32/44/383463244.db2.gz SAYBXOUJALWBTF-KBRIMQKVSA-N 2 0 288.435 2.660 20 0 CFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccsc1 ZINC000635007106 383463298 /nfs/dbraw/zinc/46/32/98/383463298.db2.gz DZPPIEKWFRVOTO-LBPRGKRZSA-N 2 0 288.420 2.726 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)on1 ZINC000450569609 383465013 /nfs/dbraw/zinc/46/50/13/383465013.db2.gz PLQVYUMBSAOKFB-RHSMWYFYSA-N 2 0 293.455 2.832 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000635010291 383466600 /nfs/dbraw/zinc/46/66/00/383466600.db2.gz JJXFXLWNKHCHPG-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP Cc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)o1 ZINC000635010360 383467062 /nfs/dbraw/zinc/46/70/62/383467062.db2.gz SKOWFTTZEVZTSP-CYBMUJFWSA-N 2 0 286.379 2.566 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000635010390 383467354 /nfs/dbraw/zinc/46/73/54/383467354.db2.gz ZOSUMEYAPKVLDE-MSOLQXFVSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000635014253 383470430 /nfs/dbraw/zinc/47/04/30/383470430.db2.gz ZUULPZUZDBXJIX-BXUZGUMPSA-N 2 0 256.340 2.943 20 0 CFADRP C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000635013992 383470620 /nfs/dbraw/zinc/47/06/20/383470620.db2.gz XKRBTOKCUOMVGR-BZUAXINKSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000635013995 383470786 /nfs/dbraw/zinc/47/07/86/383470786.db2.gz XKRBTOKCUOMVGR-OAGGEKHMSA-N 2 0 280.456 2.846 20 0 CFADRP C[NH+](C)CCOc1cnccc1C[NH2+]CCC(C)(C)C ZINC000569291735 383483337 /nfs/dbraw/zinc/48/33/37/383483337.db2.gz PTPYRGQOUFZNFX-UHFFFAOYSA-N 2 0 279.428 2.548 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635021967 383473745 /nfs/dbraw/zinc/47/37/45/383473745.db2.gz QKXWRXYLZBRAFM-HZPDHXFCSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)[nH]n1 ZINC000569211792 383477452 /nfs/dbraw/zinc/47/74/52/383477452.db2.gz HTGGULYMBAVFMQ-VNHYZAJKSA-N 2 0 278.444 2.550 20 0 CFADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000428462204 383477913 /nfs/dbraw/zinc/47/79/13/383477913.db2.gz QCXUJEKAICIMSM-UHFFFAOYSA-N 2 0 279.428 2.880 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCCC[NH+]2C(C)C)C[C@@H]1C ZINC000450641449 383479554 /nfs/dbraw/zinc/47/95/54/383479554.db2.gz NSMAVDMCJKZZRH-YESZJQIVSA-N 2 0 281.488 2.664 20 0 CFADRP CC1CCC(O)(C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000568619360 383418704 /nfs/dbraw/zinc/41/87/04/383418704.db2.gz ACMDBPRCUAHFCQ-UHFFFAOYSA-N 2 0 282.472 2.783 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450459387 383418904 /nfs/dbraw/zinc/41/89/04/383418904.db2.gz KKQJXSFPJLZDCV-GFCCVEGCSA-N 2 0 260.372 2.695 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000340442380 383421162 /nfs/dbraw/zinc/42/11/62/383421162.db2.gz ZMHCUKFFJMOFPY-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000261705284 383545275 /nfs/dbraw/zinc/54/52/75/383545275.db2.gz IJZUSNWJQJEULR-GOSISDBHSA-N 2 0 281.403 2.919 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CS1 ZINC000488454947 383545313 /nfs/dbraw/zinc/54/53/13/383545313.db2.gz JPGBUPOTADFXCC-KBPBESRZSA-N 2 0 258.475 2.836 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000488468768 383547611 /nfs/dbraw/zinc/54/76/11/383547611.db2.gz SQVGBCDDXKYUHK-WCQYABFASA-N 2 0 250.361 2.633 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000569352033 383491555 /nfs/dbraw/zinc/49/15/55/383491555.db2.gz TXISSDORCLCFQE-DZGCQCFKSA-N 2 0 290.407 2.738 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257674885 383496184 /nfs/dbraw/zinc/49/61/84/383496184.db2.gz JMDLCFWCOMQWOI-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257746521 383498236 /nfs/dbraw/zinc/49/82/36/383498236.db2.gz UAOJBHZMJXHKAG-CYBMUJFWSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@H](c1nc(-c2cccs2)no1)N1CC[C@](C)(C[NH3+])C1 ZINC000261739260 383550817 /nfs/dbraw/zinc/55/08/17/383550817.db2.gz OXXYAMKRAYGZDY-QMTHXVAHSA-N 2 0 292.408 2.530 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000261566206 383513650 /nfs/dbraw/zinc/51/36/50/383513650.db2.gz YUMZVHGCJYYPKQ-CYBMUJFWSA-N 2 0 297.240 2.927 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261568700 383515424 /nfs/dbraw/zinc/51/54/24/383515424.db2.gz KYEWPKHMHVVRGP-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528400654 383520447 /nfs/dbraw/zinc/52/04/47/383520447.db2.gz PQEOJUMZAAJSJY-YGLIYXGISA-N 2 0 274.836 2.562 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000569623919 383520634 /nfs/dbraw/zinc/52/06/34/383520634.db2.gz SCBWWQZTMKQWLU-HUUCEWRRSA-N 2 0 288.435 2.976 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528400650 383521286 /nfs/dbraw/zinc/52/12/86/383521286.db2.gz PQEOJUMZAAJSJY-CNTYAEFGSA-N 2 0 274.836 2.562 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000569654092 383522261 /nfs/dbraw/zinc/52/22/61/383522261.db2.gz XSGUYXJXPZRZHE-HPBDAGMYSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261596741 383525130 /nfs/dbraw/zinc/52/51/30/383525130.db2.gz QIWIDOVHRBAHIS-CZUORRHYSA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000261596225 383525660 /nfs/dbraw/zinc/52/56/60/383525660.db2.gz FODZSQXFJPUYEZ-MRXNPFEDSA-N 2 0 269.392 2.938 20 0 CFADRP c1sc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261611024 383528331 /nfs/dbraw/zinc/52/83/31/383528331.db2.gz SKSBTXZRQBRJMF-OLZOCXBDSA-N 2 0 272.417 2.943 20 0 CFADRP CCc1nc(C)c(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000261609136 383528556 /nfs/dbraw/zinc/52/85/56/383528556.db2.gz DPAGFVLEXCLKEC-RRFJBIMHSA-N 2 0 291.439 2.946 20 0 CFADRP FC(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261613680 383529774 /nfs/dbraw/zinc/52/97/74/383529774.db2.gz SVUYFHSCLGCQTL-KGLIPLIRSA-N 2 0 266.335 2.666 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488418036 383533371 /nfs/dbraw/zinc/53/33/71/383533371.db2.gz XHFVNRKYMYEFIQ-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488417869 383533636 /nfs/dbraw/zinc/53/36/36/383533636.db2.gz SFJVRZWMLGVLJU-UPJWGTAASA-N 2 0 258.475 2.836 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CS[C@H](C(C)C)C2)C1 ZINC000488426419 383535270 /nfs/dbraw/zinc/53/52/70/383535270.db2.gz SLOWLSOYQPKCRN-KFWWJZLASA-N 2 0 270.486 2.838 20 0 CFADRP COCCSCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000488428520 383536230 /nfs/dbraw/zinc/53/62/30/383536230.db2.gz BKEIHEZCLCHHJJ-HNNXBMFYSA-N 2 0 288.501 2.562 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488430576 383536357 /nfs/dbraw/zinc/53/63/57/383536357.db2.gz NFSKPNDNKUZBHJ-ZBFHGGJFSA-N 2 0 252.446 2.990 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C2CC2)c1 ZINC000261651566 383537071 /nfs/dbraw/zinc/53/70/71/383537071.db2.gz YHCUUAKXZJCEMV-IRXDYDNUSA-N 2 0 256.393 2.605 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000488434118 383537610 /nfs/dbraw/zinc/53/76/10/383537610.db2.gz OODUBINJVIHVDZ-HZPDHXFCSA-N 2 0 282.497 2.981 20 0 CFADRP CCC[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CC[NH2+]CC1 ZINC000261688671 383542067 /nfs/dbraw/zinc/54/20/67/383542067.db2.gz NCKDWIIMIBWMDW-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP Fc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261692547 383543455 /nfs/dbraw/zinc/54/34/55/383543455.db2.gz NNPQKBOHNOZDIG-BLLLJJGKSA-N 2 0 285.366 2.558 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000261691701 383543812 /nfs/dbraw/zinc/54/38/12/383543812.db2.gz HNYNJRLLYRSZDS-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000429833903 383572535 /nfs/dbraw/zinc/57/25/35/383572535.db2.gz VJHPQLGWJNBJQG-MSOLQXFVSA-N 2 0 287.451 2.739 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450980799 383577325 /nfs/dbraw/zinc/57/73/25/383577325.db2.gz GNZKWNPIMUPGFK-KTGAGVNESA-N 2 0 293.499 2.806 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261919735 383580134 /nfs/dbraw/zinc/58/01/34/383580134.db2.gz KGHYTTREZYYPHT-BZPMIXESSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@@]1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]C1 ZINC000261921305 383580705 /nfs/dbraw/zinc/58/07/05/383580705.db2.gz BRBZVHKPMDFOBW-ZWKOTPCHSA-N 3 0 293.499 2.574 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCC2 ZINC000429992631 383581308 /nfs/dbraw/zinc/58/13/08/383581308.db2.gz RHOBHTXASXNROR-QDIHITRGSA-N 2 0 280.456 2.797 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)Nc1nc2ccccc2n1C ZINC000341141248 383581625 /nfs/dbraw/zinc/58/16/25/383581625.db2.gz PEESBXKDLKJEIZ-CYBMUJFWSA-N 2 0 274.412 2.528 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]C1 ZINC000261967415 383588856 /nfs/dbraw/zinc/58/88/56/383588856.db2.gz HXYIGFNSAPCNEQ-HOCLYGCPSA-N 2 0 262.372 2.615 20 0 CFADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000261984149 383590233 /nfs/dbraw/zinc/59/02/33/383590233.db2.gz JMYDYNQTIKWRHC-MSOLQXFVSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261981919 383590267 /nfs/dbraw/zinc/59/02/67/383590267.db2.gz JIFPXWWKRSFTDU-IRXDYDNUSA-N 2 0 276.399 2.789 20 0 CFADRP COc1cc2c(NC[C@@H](C)C[NH+](C)C)cc[nH+]c2cc1F ZINC000489023491 383591981 /nfs/dbraw/zinc/59/19/81/383591981.db2.gz YZSZEQMEOONFPA-LLVKDONJSA-N 2 0 291.370 2.992 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C ZINC000262007937 383593851 /nfs/dbraw/zinc/59/38/51/383593851.db2.gz UVAGURVYQDYXAB-HRCADAONSA-N 2 0 274.408 2.563 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262013844 383594388 /nfs/dbraw/zinc/59/43/88/383594388.db2.gz VJWKERAZFAHGHS-YSVLISHTSA-N 2 0 276.399 2.947 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cn2ccccc2n1 ZINC000570383774 383598461 /nfs/dbraw/zinc/59/84/61/383598461.db2.gz BXWBXLCDQGMUHV-AWEZNQCLSA-N 2 0 298.434 2.859 20 0 CFADRP C[C@@]1([NH3+])CCCC[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262044728 383599287 /nfs/dbraw/zinc/59/92/87/383599287.db2.gz PPSPXJZZQBFDLH-CZUORRHYSA-N 2 0 286.379 2.570 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262051648 383601560 /nfs/dbraw/zinc/60/15/60/383601560.db2.gz ZQLOSXMKECZKSW-PBHICJAKSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262093964 383604073 /nfs/dbraw/zinc/60/40/73/383604073.db2.gz VAWRIZJCGRLDRW-DLBZAZTESA-N 2 0 258.409 2.650 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000570462289 383605758 /nfs/dbraw/zinc/60/57/58/383605758.db2.gz CRPYDUCVCBBKIS-KSYCFECVSA-N 2 0 280.387 2.761 20 0 CFADRP COc1ccc(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000262133235 383608412 /nfs/dbraw/zinc/60/84/12/383608412.db2.gz YKKYWOLCBROSJC-SFHVURJKSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000262140261 383608618 /nfs/dbraw/zinc/60/86/18/383608618.db2.gz POXYJJHZVLMIBP-INIZCTEOSA-N 2 0 264.413 2.645 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262141277 383608703 /nfs/dbraw/zinc/60/87/03/383608703.db2.gz ZEVUVEQIZTZDFP-GOSISDBHSA-N 2 0 287.451 2.871 20 0 CFADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000569942093 383553501 /nfs/dbraw/zinc/55/35/01/383553501.db2.gz WFVMRIZOOYXBLC-SVGFKBNWSA-N 2 0 275.440 2.537 20 0 CFADRP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](c1ccccc1)[NH+](C)C ZINC000569942091 383554254 /nfs/dbraw/zinc/55/42/54/383554254.db2.gz WFVMRIZOOYXBLC-RKTXRCNFSA-N 2 0 275.440 2.537 20 0 CFADRP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000261762689 383555071 /nfs/dbraw/zinc/55/50/71/383555071.db2.gz DCPWQRMBVLTAMV-UHFFFAOYSA-N 2 0 298.434 2.579 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000488522657 383555331 /nfs/dbraw/zinc/55/53/31/383555331.db2.gz LGPWYXCCSRRNQJ-KBPBESRZSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000261760744 383555936 /nfs/dbraw/zinc/55/59/36/383555936.db2.gz CXWRQGMIRCZMJR-SNVBAGLBSA-N 2 0 293.411 2.995 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CCCN1C ZINC000488582545 383563150 /nfs/dbraw/zinc/56/31/50/383563150.db2.gz NUVWVOCUMJANRU-XJFOESAGSA-N 2 0 270.486 2.979 20 0 CFADRP Fc1ccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261810035 383564517 /nfs/dbraw/zinc/56/45/17/383564517.db2.gz RKTUKTGPDQNYMQ-OAHLLOKOSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000570054908 383567690 /nfs/dbraw/zinc/56/76/90/383567690.db2.gz DLSSJUPIFRXUQM-JSGCOSHPSA-N 2 0 282.815 2.921 20 0 CFADRP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261835915 383569236 /nfs/dbraw/zinc/56/92/36/383569236.db2.gz JLLJELRNDKQKOG-KRWDZBQOSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1nc(C)c(C)c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1 ZINC000488728574 383570834 /nfs/dbraw/zinc/57/08/34/383570834.db2.gz CPIPVBBASYOMMR-GFCCVEGCSA-N 2 0 288.439 2.712 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261857972 383571736 /nfs/dbraw/zinc/57/17/36/383571736.db2.gz XOCOFUOHZYQOLJ-ZDUSSCGKSA-N 2 0 284.350 2.766 20 0 CFADRP CCc1ccc(CC[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000430955661 383615912 /nfs/dbraw/zinc/61/59/12/383615912.db2.gz MLTFGFMPMZOJDI-UHFFFAOYSA-N 2 0 260.425 2.723 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]21 ZINC000262372285 383618521 /nfs/dbraw/zinc/61/85/21/383618521.db2.gz XNZNOKQJPOCAPG-HYVNUMGLSA-N 2 0 297.402 2.901 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000262372286 383619059 /nfs/dbraw/zinc/61/90/59/383619059.db2.gz XNZNOKQJPOCAPG-USXIJHARSA-N 2 0 297.402 2.901 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000570626374 383619368 /nfs/dbraw/zinc/61/93/68/383619368.db2.gz KNGGVJJNFIDWGW-AGERRDQYSA-N 2 0 290.451 2.613 20 0 CFADRP CCCc1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000431024370 383623535 /nfs/dbraw/zinc/62/35/35/383623535.db2.gz LQMLFPWLGRAULP-UHFFFAOYSA-N 2 0 279.453 2.671 20 0 CFADRP Clc1ccccc1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034626 383624466 /nfs/dbraw/zinc/62/44/66/383624466.db2.gz YPLRHRPRZXSOTL-UHFFFAOYSA-N 2 0 294.826 2.794 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ncc(C)cc2C)C1 ZINC000645812128 383758043 /nfs/dbraw/zinc/75/80/43/383758043.db2.gz OLGALYZWOWQYAD-MRXNPFEDSA-N 2 0 275.440 2.515 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccncc2)C1 ZINC000453098233 383765108 /nfs/dbraw/zinc/76/51/08/383765108.db2.gz PSKVQJODUGZANS-HOCLYGCPSA-N 2 0 261.413 2.854 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3=CCCC3)CC2)CC1 ZINC000645842361 383766154 /nfs/dbraw/zinc/76/61/54/383766154.db2.gz JZDJNROQWNCIBQ-UHFFFAOYSA-N 2 0 291.483 2.587 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C(C)(C)C ZINC000453100064 383766564 /nfs/dbraw/zinc/76/65/64/383766564.db2.gz XTQYIJXENLMIRG-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCC1 ZINC000453106551 383767984 /nfs/dbraw/zinc/76/79/84/383767984.db2.gz GYKFOLFZDQDQOE-DLBZAZTESA-N 2 0 282.472 2.638 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCC1 ZINC000453106552 383768577 /nfs/dbraw/zinc/76/85/77/383768577.db2.gz GYKFOLFZDQDQOE-IAGOWNOFSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000453106874 383768605 /nfs/dbraw/zinc/76/86/05/383768605.db2.gz JIKMLVQDOTWWOY-RBSFLKMASA-N 2 0 276.428 2.599 20 0 CFADRP c1cn2c(n1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000453108630 383769181 /nfs/dbraw/zinc/76/91/81/383769181.db2.gz AGRSVVSNPQAHDE-OAHLLOKOSA-N 2 0 276.428 2.574 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453114519 383771658 /nfs/dbraw/zinc/77/16/58/383771658.db2.gz VUBCUJFKRNEJAX-MRXNPFEDSA-N 2 0 250.430 2.887 20 0 CFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453123533 383775045 /nfs/dbraw/zinc/77/50/45/383775045.db2.gz ZBFQSQIQJMALMY-ROUUACIJSA-N 2 0 294.483 2.638 20 0 CFADRP COc1ccccc1/C=C\C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435448333 383775642 /nfs/dbraw/zinc/77/56/42/383775642.db2.gz UXDKEKGKQBSRJK-QKIRZYONSA-N 2 0 274.408 2.782 20 0 CFADRP CCCC[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435680768 383777928 /nfs/dbraw/zinc/77/79/28/383777928.db2.gz HWIWFZNAWJUAFL-HNNXBMFYSA-N 2 0 290.455 2.647 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000571031931 383661026 /nfs/dbraw/zinc/66/10/26/383661026.db2.gz VKBZAFAYOYOCRA-UGUYLWEFSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000571038735 383661626 /nfs/dbraw/zinc/66/16/26/383661626.db2.gz FIIQCSOBKAEKQR-GDBMZVCRSA-N 2 0 255.365 2.594 20 0 CFADRP CCC1([NH+](C)C)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000640016743 383672402 /nfs/dbraw/zinc/67/24/02/383672402.db2.gz CEKXWDMJURKNNI-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000435744729 383778751 /nfs/dbraw/zinc/77/87/51/383778751.db2.gz HFIJAYPVOPDQAT-CGTJXYLNSA-N 2 0 293.499 2.713 20 0 CFADRP C([NH2+][C@H]1CCCOCC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436305325 383804119 /nfs/dbraw/zinc/80/41/19/383804119.db2.gz GEYUEAURQCQRNE-RDJZCZTQSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000178242683 533009094 /nfs/dbraw/zinc/00/90/94/533009094.db2.gz HTQNSYWDEGOPGI-QWHCGFSZSA-N 2 0 289.423 2.671 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H](C2CC2)C2CCCC2)CC1(C)C ZINC000453225108 383806368 /nfs/dbraw/zinc/80/63/68/383806368.db2.gz UMRIAJQEQRCZCV-QGZVFWFLSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000436402563 383812712 /nfs/dbraw/zinc/81/27/12/383812712.db2.gz YGKIJYNEYOOPLJ-DOMZBBRYSA-N 2 0 270.380 2.854 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453246075 383813520 /nfs/dbraw/zinc/81/35/20/383813520.db2.gz COBDWKBNKAFPNK-ZACQAIPSSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)c1nnc(CN(C)CCCC[NH+]2CCCCC2)o1 ZINC000640531319 383818210 /nfs/dbraw/zinc/81/82/10/383818210.db2.gz NZEYVTNMZWRRRX-UHFFFAOYSA-N 2 0 294.443 2.891 20 0 CFADRP Cc1cc(C)n(CC[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640530620 383818272 /nfs/dbraw/zinc/81/82/72/383818272.db2.gz FEEXPMUZOLHOEK-UHFFFAOYSA-N 2 0 292.471 2.698 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCOCC1CC1 ZINC000640531246 383818939 /nfs/dbraw/zinc/81/89/39/383818939.db2.gz NGYPVWRKMDLYEE-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@H]1CCCO1 ZINC000640534041 383819965 /nfs/dbraw/zinc/81/99/65/383819965.db2.gz JONDCCRTGKIASB-MRXNPFEDSA-N 2 0 268.445 2.753 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cncs1 ZINC000640534639 383819975 /nfs/dbraw/zinc/81/99/75/383819975.db2.gz QRWLTMKUUIKMET-UHFFFAOYSA-N 2 0 267.442 2.841 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000435881465 383781099 /nfs/dbraw/zinc/78/10/99/383781099.db2.gz BCVGUHHFOGJQCD-GOSISDBHSA-N 2 0 272.436 2.966 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436273950 383797677 /nfs/dbraw/zinc/79/76/77/383797677.db2.gz LNJFNKRFJRIIPX-UHFFFAOYSA-N 2 0 277.387 2.984 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436283738 383799478 /nfs/dbraw/zinc/79/94/78/383799478.db2.gz KQEDWLKQZIMQKE-BGTYHANMSA-N 2 0 272.436 2.938 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436291400 383801637 /nfs/dbraw/zinc/80/16/37/383801637.db2.gz QREAYHRTMHJGLN-GFCCVEGCSA-N 2 0 275.371 2.738 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453316227 383842693 /nfs/dbraw/zinc/84/26/93/383842693.db2.gz JUQITGYYGUDGBE-LVQVYYBASA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@@H]1CCF)C1CC1 ZINC000453411503 383852838 /nfs/dbraw/zinc/85/28/38/383852838.db2.gz VPBDYFWEWXIGLX-HIFRSBDPSA-N 2 0 256.409 2.979 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1csc(C2CC2)n1)C1CC1 ZINC000453597124 383867236 /nfs/dbraw/zinc/86/72/36/383867236.db2.gz NDIZNDIBNAXVPM-UHFFFAOYSA-N 2 0 279.453 2.985 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453598555 383867355 /nfs/dbraw/zinc/86/73/55/383867355.db2.gz PQNBRJSHVSZVNK-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cc(F)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453603283 383871766 /nfs/dbraw/zinc/87/17/66/383871766.db2.gz XBBGSOWMKDNRSQ-UHFFFAOYSA-N 2 0 280.387 2.798 20 0 CFADRP Cc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)s1 ZINC000646103370 383873296 /nfs/dbraw/zinc/87/32/96/383873296.db2.gz DPZSNQAKVPHGAC-UHFFFAOYSA-N 2 0 294.464 2.662 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000531699900 383908018 /nfs/dbraw/zinc/90/80/18/383908018.db2.gz QWRADCYQQAMTNS-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000531707137 383908385 /nfs/dbraw/zinc/90/83/85/383908385.db2.gz AVQCLJVISQJEKQ-ZDUSSCGKSA-N 2 0 289.423 2.564 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000531704396 383908407 /nfs/dbraw/zinc/90/84/07/383908407.db2.gz SIPWVUQLHQDJQZ-XMTFNYHQSA-N 3 0 295.515 2.959 20 0 CFADRP COc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1F ZINC000646243278 383928898 /nfs/dbraw/zinc/92/88/98/383928898.db2.gz URPMABSBFZBMHE-KRWDZBQOSA-N 2 0 292.398 2.752 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000423180970 533020210 /nfs/dbraw/zinc/02/02/10/533020210.db2.gz LAONSDGUUWRRGI-MJBXVCDLSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000573220874 383895855 /nfs/dbraw/zinc/89/58/55/383895855.db2.gz RKQBXQYGTKBLAP-CWRNSKLLSA-N 2 0 284.407 2.793 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000532206030 383992593 /nfs/dbraw/zinc/99/25/93/383992593.db2.gz YGTZEFRCPXPMCO-DZGCQCFKSA-N 2 0 296.842 2.957 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000532201277 383992620 /nfs/dbraw/zinc/99/26/20/383992620.db2.gz YAXPIJMZYGFUQZ-MAUKXSAKSA-N 2 0 290.451 2.946 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCOCC1 ZINC000532214754 383994220 /nfs/dbraw/zinc/99/42/20/383994220.db2.gz LBFXBQXHOLMJFN-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000531941538 383943263 /nfs/dbraw/zinc/94/32/63/383943263.db2.gz VXFPVUFSKOOBEB-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CCC(CC)[C@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCCC1 ZINC000438081628 383943877 /nfs/dbraw/zinc/94/38/77/383943877.db2.gz SFOKZYADYYUZLQ-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(CF)CCC1 ZINC000573963684 384022458 /nfs/dbraw/zinc/02/24/58/384022458.db2.gz HYBDDZDKVFJIBD-UHFFFAOYSA-N 2 0 274.343 2.558 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000573998446 384025982 /nfs/dbraw/zinc/02/59/82/384025982.db2.gz WPXCWJAZNISGSK-RDJZCZTQSA-N 2 0 278.440 2.594 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000574031777 384032570 /nfs/dbraw/zinc/03/25/70/384032570.db2.gz ZQMIDTMXSNUGMX-BZUAXINKSA-N 2 0 262.397 2.641 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532504263 384039285 /nfs/dbraw/zinc/03/92/85/384039285.db2.gz XUUDRDZHJLVGPF-ZMSDIMECSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000574171312 384057308 /nfs/dbraw/zinc/05/73/08/384057308.db2.gz VWUIYWRLPTZXMT-QZWWFDLISA-N 2 0 292.398 2.905 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(F)cc1F)C1CC1 ZINC000574250480 384067579 /nfs/dbraw/zinc/06/75/79/384067579.db2.gz KYCWPJAHXJEKLT-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP Cc1cc(C)c([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000071148616 412976885 /nfs/dbraw/zinc/97/68/85/412976885.db2.gz LBYXAALSLQTBQV-KRWDZBQOSA-N 2 0 289.467 2.510 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000574636500 384125392 /nfs/dbraw/zinc/12/53/92/384125392.db2.gz HQVIGTHKLRVKLW-KRWDZBQOSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CCC1CCCCCC1 ZINC000574844410 384153801 /nfs/dbraw/zinc/15/38/01/384153801.db2.gz HNUKTGHLGGMUDQ-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP COC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423148922 533037573 /nfs/dbraw/zinc/03/75/73/533037573.db2.gz GTIROEKCTKVUFL-OBJOEFQTSA-N 2 0 284.831 2.785 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000266498418 384187410 /nfs/dbraw/zinc/18/74/10/384187410.db2.gz WTFWLVDBMNWGTJ-GOSISDBHSA-N 2 0 290.451 2.801 20 0 CFADRP Cn1cnc(CCNc2cc(C(C)(C)C)ccn2)c1 ZINC000641626423 384245879 /nfs/dbraw/zinc/24/58/79/384245879.db2.gz CAPPDHKPIVETTC-UHFFFAOYSA-N 2 0 258.369 2.767 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000637905649 384264486 /nfs/dbraw/zinc/26/44/86/384264486.db2.gz MXXLYNWWGGUKNA-UHFFFAOYSA-N 2 0 291.439 2.731 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637906556 384266412 /nfs/dbraw/zinc/26/64/12/384266412.db2.gz VKDSOTFJILNPRG-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000641718297 384289834 /nfs/dbraw/zinc/28/98/34/384289834.db2.gz VSJWFVAXHNWEGY-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCOc1ccc(Cl)cc1 ZINC000641805404 384373882 /nfs/dbraw/zinc/37/38/82/384373882.db2.gz NUGNGAVSJQPYNR-KGLIPLIRSA-N 2 0 282.815 2.824 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000641787627 384350929 /nfs/dbraw/zinc/35/09/29/384350929.db2.gz DBYXWQDKCVBGEP-HOTGVXAUSA-N 2 0 290.451 2.707 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000641805405 384374025 /nfs/dbraw/zinc/37/40/25/384374025.db2.gz NUGNGAVSJQPYNR-UONOGXRCSA-N 2 0 282.815 2.824 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000641797827 384362027 /nfs/dbraw/zinc/36/20/27/384362027.db2.gz JDOSZTCCOJKPKW-TZMCWYRMSA-N 2 0 285.391 2.819 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798098 384362722 /nfs/dbraw/zinc/36/27/22/384362722.db2.gz HHWUYQRXHZOJBD-IKGGRYGDSA-N 2 0 292.467 2.800 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000641797670 384363408 /nfs/dbraw/zinc/36/34/08/384363408.db2.gz FLRGEUNXSGFBBF-GJZGRUSLSA-N 2 0 291.439 2.757 20 0 CFADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423330464 533057367 /nfs/dbraw/zinc/05/73/67/533057367.db2.gz FZVVZDSKQIKUBF-NEPJUHHUSA-N 2 0 250.411 2.669 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCSc1ccc(F)cc1 ZINC000641801807 384369419 /nfs/dbraw/zinc/36/94/19/384369419.db2.gz VUPUVNBNUCXHDR-CHWSQXEVSA-N 2 0 268.401 2.633 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C[C@@H]1[NH3+] ZINC000641802405 384370806 /nfs/dbraw/zinc/37/08/06/384370806.db2.gz KLKXOXXJWFABRW-NWDGAFQWSA-N 2 0 254.324 2.840 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641765636 384331572 /nfs/dbraw/zinc/33/15/72/384331572.db2.gz RKTVSUGGYDMPSW-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641806928 384373245 /nfs/dbraw/zinc/37/32/45/384373245.db2.gz SKYFDAGBTQVEMI-HOTGVXAUSA-N 2 0 292.423 2.570 20 0 CFADRP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)OC ZINC000638109536 384420756 /nfs/dbraw/zinc/42/07/56/384420756.db2.gz GHVVUIQAROWXPX-RRFJBIMHSA-N 2 0 256.434 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC000638110707 384423838 /nfs/dbraw/zinc/42/38/38/384423838.db2.gz OVOXMBBFJFSNSD-CWRNSKLLSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638125151 384438291 /nfs/dbraw/zinc/43/82/91/384438291.db2.gz IJJDTGOPSOWISD-HNNXBMFYSA-N 2 0 291.439 2.759 20 0 CFADRP COc1cc(C)c([C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000638185978 384477494 /nfs/dbraw/zinc/47/74/94/384477494.db2.gz HHPPUQAULLUMOP-SOUVJXGZSA-N 2 0 274.408 2.524 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643031154 384480706 /nfs/dbraw/zinc/48/07/06/384480706.db2.gz HXSVKOGZLVQZAI-WMLDXEAASA-N 2 0 281.403 2.985 20 0 CFADRP CCC[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)OC ZINC000638365487 384591079 /nfs/dbraw/zinc/59/10/79/384591079.db2.gz DUUSAZBOZUHZIU-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCCc1cnn(C)c1 ZINC000638364723 384591095 /nfs/dbraw/zinc/59/10/95/384591095.db2.gz BTYSHJRQGGBPHJ-INIZCTEOSA-N 2 0 292.471 2.597 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc(C2CC2)c1 ZINC000643427030 384630073 /nfs/dbraw/zinc/63/00/73/384630073.db2.gz AQHCLQMRPFRNOU-MRXNPFEDSA-N 2 0 256.393 2.796 20 0 CFADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)sn1 ZINC000638367461 384592352 /nfs/dbraw/zinc/59/23/52/384592352.db2.gz VPPNWNRSDDLFFA-CYBMUJFWSA-N 2 0 297.468 2.896 20 0 CFADRP CC[C@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)OC ZINC000638367614 384592867 /nfs/dbraw/zinc/59/28/67/384592867.db2.gz XBCNYWNWAMIKJO-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000638366253 384593434 /nfs/dbraw/zinc/59/34/34/384593434.db2.gz LZLDLQMSTTZNMM-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]CCC2CCOCC2)CC1 ZINC000638370252 384596449 /nfs/dbraw/zinc/59/64/49/384596449.db2.gz KSHOJSYMSJTYCV-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP CO[C@](C)(C[NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000638371536 384598845 /nfs/dbraw/zinc/59/88/45/384598845.db2.gz RRILLLNFQVNNJW-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000643500793 384665357 /nfs/dbraw/zinc/66/53/57/384665357.db2.gz KCFXAZDLWKGGRF-BONVTDFDSA-N 2 0 266.335 2.541 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000643503661 384673087 /nfs/dbraw/zinc/67/30/87/384673087.db2.gz VUNCVBIUAHJXFP-JCYILVPMSA-N 2 0 258.409 2.794 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453519 384635540 /nfs/dbraw/zinc/63/55/40/384635540.db2.gz IYZJNBPTRFYKJP-POZUXBRTSA-N 2 0 280.415 2.874 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000643457535 384640961 /nfs/dbraw/zinc/64/09/61/384640961.db2.gz JFHZDXWDRCPXPB-ZBFHGGJFSA-N 2 0 290.451 2.951 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848752 384675316 /nfs/dbraw/zinc/67/53/16/384675316.db2.gz GUAMJPDJGODBCK-NUJGCVRESA-N 2 0 290.451 2.564 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2COc3c2cccc3Cl)CC1 ZINC000643466632 384646498 /nfs/dbraw/zinc/64/64/98/384646498.db2.gz JVJMTILRRXAWIQ-MGULZYLOSA-N 2 0 280.799 2.881 20 0 CFADRP CCCC[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000638431921 384649192 /nfs/dbraw/zinc/64/91/92/384649192.db2.gz WRSPZBVFNAGSSX-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643469370 384650483 /nfs/dbraw/zinc/65/04/83/384650483.db2.gz QDIQLUDXWOBQIT-BRWVUGGUSA-N 2 0 297.406 2.600 20 0 CFADRP C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000643469198 384650533 /nfs/dbraw/zinc/65/05/33/384650533.db2.gz XFOKUHXEDXBGNW-OLZOCXBDSA-N 2 0 262.372 2.793 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643474111 384652556 /nfs/dbraw/zinc/65/25/56/384652556.db2.gz AFCFLZXKDJRSBS-RZFLTCLSSA-N 2 0 280.456 2.580 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643477963 384654714 /nfs/dbraw/zinc/65/47/14/384654714.db2.gz IYOAIOHBLMYHKB-FHLIZLRMSA-N 2 0 272.436 2.899 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643477964 384655011 /nfs/dbraw/zinc/65/50/11/384655011.db2.gz IYOAIOHBLMYHKB-JCGIZDLHSA-N 2 0 272.436 2.899 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000268757529 384656593 /nfs/dbraw/zinc/65/65/93/384656593.db2.gz KCECWHUTOQMMBA-XOBRGWDASA-N 2 0 296.480 2.805 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccnn1C ZINC000643484299 384656923 /nfs/dbraw/zinc/65/69/23/384656923.db2.gz QRRZPSILLKAHQC-ULQDDVLXSA-N 2 0 298.434 2.894 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(CO)cc1 ZINC000643478201 384657438 /nfs/dbraw/zinc/65/74/38/384657438.db2.gz CGXAQECSYBZFNK-CRAIPNDOSA-N 2 0 290.451 2.622 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC000268775948 384660182 /nfs/dbraw/zinc/66/01/82/384660182.db2.gz NPZRIDFGVHEMBB-CZUORRHYSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CS1 ZINC000638445578 384660941 /nfs/dbraw/zinc/66/09/41/384660941.db2.gz OPCUZVJTRABTDE-HIFRSBDPSA-N 2 0 294.464 2.611 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000643493795 384661224 /nfs/dbraw/zinc/66/12/24/384661224.db2.gz PBGRYAXVBXEUES-SOUVJXGZSA-N 2 0 278.440 2.979 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000268787621 384661571 /nfs/dbraw/zinc/66/15/71/384661571.db2.gz FHXYXHVWZHDIID-CABCVRRESA-N 2 0 288.435 2.799 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638446396 384662221 /nfs/dbraw/zinc/66/22/21/384662221.db2.gz WNYHMYCPUVZVCN-JSGCOSHPSA-N 2 0 298.377 2.760 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508408 384681104 /nfs/dbraw/zinc/68/11/04/384681104.db2.gz FTMIMCQUGZLTLU-GDBMZVCRSA-N 2 0 264.413 2.740 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000643509286 384681227 /nfs/dbraw/zinc/68/12/27/384681227.db2.gz USOGKGWZDUWQTK-QWHCGFSZSA-N 2 0 252.427 2.658 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643512316 384683118 /nfs/dbraw/zinc/68/31/18/384683118.db2.gz GILITYYEBVVJGF-KKUMJFAQSA-N 2 0 259.397 2.566 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000643514084 384684301 /nfs/dbraw/zinc/68/43/01/384684301.db2.gz VADMISWHIBYAQQ-WDEREUQCSA-N 2 0 258.369 2.589 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000643514081 384684727 /nfs/dbraw/zinc/68/47/27/384684727.db2.gz VADMISWHIBYAQQ-GHMZBOCLSA-N 2 0 258.369 2.589 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000643521012 384687606 /nfs/dbraw/zinc/68/76/06/384687606.db2.gz ZFWLGOKZDRFFOS-OAUYIBNBSA-N 2 0 273.424 2.624 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000643522377 384688380 /nfs/dbraw/zinc/68/83/80/384688380.db2.gz MHMNYGMWUMXSEL-AAEUAGOBSA-N 2 0 260.372 2.932 20 0 CFADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268902338 384688585 /nfs/dbraw/zinc/68/85/85/384688585.db2.gz QKPADOWTBGOKEN-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000643522331 384688634 /nfs/dbraw/zinc/68/86/34/384688634.db2.gz LRLXZRLKKBEPQQ-OIISXLGYSA-N 2 0 273.424 2.840 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522026 384689040 /nfs/dbraw/zinc/68/90/40/384689040.db2.gz GOZDBEVQBHDWJD-STQMWFEESA-N 2 0 252.427 2.801 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000638484118 384691058 /nfs/dbraw/zinc/69/10/58/384691058.db2.gz UDMDDXJZUJYEOR-OAGGEKHMSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1-n1cccn1 ZINC000643523880 384692096 /nfs/dbraw/zinc/69/20/96/384692096.db2.gz IZMQTJZHGDRYCM-RRFJBIMHSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528269 384698823 /nfs/dbraw/zinc/69/88/23/384698823.db2.gz GGSRDGYERZWNHP-AXFHLTTASA-N 2 0 263.410 2.725 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643533935 384705292 /nfs/dbraw/zinc/70/52/92/384705292.db2.gz IGVKSBPJLLZDHI-DGCLKSJQSA-N 2 0 250.411 2.849 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCC2 ZINC000643534289 384705533 /nfs/dbraw/zinc/70/55/33/384705533.db2.gz PVDSMNPAXHNDOV-DYVFJYSZSA-N 2 0 270.420 2.968 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1 ZINC000643534494 384705749 /nfs/dbraw/zinc/70/57/49/384705749.db2.gz VXFHHMDVTDWQFY-QMTHXVAHSA-N 2 0 266.335 2.758 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643533936 384705903 /nfs/dbraw/zinc/70/59/03/384705903.db2.gz IGVKSBPJLLZDHI-WCQYABFASA-N 2 0 250.411 2.849 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccon1 ZINC000268975016 384705943 /nfs/dbraw/zinc/70/59/43/384705943.db2.gz NJXRIHRVNOAOGS-PBHICJAKSA-N 2 0 285.391 2.675 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534830 384706961 /nfs/dbraw/zinc/70/69/61/384706961.db2.gz DJNHAOSUSBQGRC-RRFJBIMHSA-N 2 0 250.430 2.933 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534586 384707715 /nfs/dbraw/zinc/70/77/15/384707715.db2.gz YGTIQALIRJRPCD-CZUORRHYSA-N 2 0 274.408 2.878 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)[C@@H](C)C2 ZINC000643534725 384708055 /nfs/dbraw/zinc/70/80/55/384708055.db2.gz BAKKVKNDNZMXEO-IAOVAPTHSA-N 2 0 270.420 2.960 20 0 CFADRP C1[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C12CC[NH2+]CC2 ZINC000643535638 384708974 /nfs/dbraw/zinc/70/89/74/384708974.db2.gz HELDBFDVIFXZGY-PREGVCBESA-N 2 0 292.467 2.989 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535780 384709417 /nfs/dbraw/zinc/70/94/17/384709417.db2.gz JENGECBXHYJVBH-YJNKXOJESA-N 2 0 250.430 2.933 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535860 384709678 /nfs/dbraw/zinc/70/96/78/384709678.db2.gz PNBOAOQFIUSKIW-CVEARBPZSA-N 2 0 271.408 2.665 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000643536145 384711247 /nfs/dbraw/zinc/71/12/47/384711247.db2.gz RJDKSFMYYOAVRQ-HZPDHXFCSA-N 2 0 274.408 2.878 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536744 384712190 /nfs/dbraw/zinc/71/21/90/384712190.db2.gz WGWGMHYEURAYEW-HOTGVXAUSA-N 2 0 274.383 2.935 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536985 384714049 /nfs/dbraw/zinc/71/40/49/384714049.db2.gz XSYJPWVCEWKSBB-UONOGXRCSA-N 2 0 278.346 2.684 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643539268 384719725 /nfs/dbraw/zinc/71/97/25/384719725.db2.gz VDOAHYPDEQJCHJ-OTYXRUKQSA-N 2 0 254.324 2.669 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)C1CC[NH+](C)CC1 ZINC000643539472 384720395 /nfs/dbraw/zinc/72/03/95/384720395.db2.gz KRJHLULDBPRZPT-AWEZNQCLSA-N 2 0 287.451 2.865 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000279821492 384773770 /nfs/dbraw/zinc/77/37/70/384773770.db2.gz YELTUTGPZITYNS-NVXWUHKLSA-N 2 0 276.424 2.838 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000279821489 384773839 /nfs/dbraw/zinc/77/38/39/384773839.db2.gz YELTUTGPZITYNS-DOTOQJQBSA-N 2 0 276.424 2.838 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000638562734 384742183 /nfs/dbraw/zinc/74/21/83/384742183.db2.gz BGTNHMXYDDCAAD-GXTWGEPZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H](OC)C2CCCCC2)CC1 ZINC000638565519 384743989 /nfs/dbraw/zinc/74/39/89/384743989.db2.gz OGKKPKLLHKDGRZ-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000638566544 384745276 /nfs/dbraw/zinc/74/52/76/384745276.db2.gz LPEOMNRAARDACF-RWMBFGLXSA-N 2 0 260.372 2.740 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566550 384745457 /nfs/dbraw/zinc/74/54/57/384745457.db2.gz LROCTROKUICKTA-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000638566459 384745598 /nfs/dbraw/zinc/74/55/98/384745598.db2.gz JRONSIUQCRVVEI-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000638565964 384746414 /nfs/dbraw/zinc/74/64/14/384746414.db2.gz WYFQGOUYSJZNIU-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000638566262 384747009 /nfs/dbraw/zinc/74/70/09/384747009.db2.gz FKCCYTQXZLOUQU-MCIONIFRSA-N 2 0 256.459 2.590 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000643886614 384782270 /nfs/dbraw/zinc/78/22/70/384782270.db2.gz JHHIOTUTVGOWSA-OAHLLOKOSA-N 2 0 271.408 2.942 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000638692608 384838075 /nfs/dbraw/zinc/83/80/75/384838075.db2.gz JTEPYZYIFZIXLZ-DGCLKSJQSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000638611059 384784878 /nfs/dbraw/zinc/78/48/78/384784878.db2.gz SOYKYAAWKJUAEC-YCPHGPKFSA-N 2 0 282.472 2.636 20 0 CFADRP Cc1ccncc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269607155 384802442 /nfs/dbraw/zinc/80/24/42/384802442.db2.gz AGEOBVRYEWWQIH-MAUKXSAKSA-N 2 0 285.435 2.839 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[NH+](C)C)cc1OC ZINC000280088874 384880522 /nfs/dbraw/zinc/88/05/22/384880522.db2.gz YYPUYFROWIPAPY-UONOGXRCSA-N 2 0 294.439 2.737 20 0 CFADRP Cc1cnc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)o1 ZINC000638723161 384867390 /nfs/dbraw/zinc/86/73/90/384867390.db2.gz ZBEPYCYMNVNBMO-UHFFFAOYSA-N 2 0 279.428 2.831 20 0 CFADRP Cc1nnsc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000638723119 384867541 /nfs/dbraw/zinc/86/75/41/384867541.db2.gz YMMQTKUGCKNMKL-UHFFFAOYSA-N 2 0 296.484 2.694 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784124 533097288 /nfs/dbraw/zinc/09/72/88/533097288.db2.gz QVDDWYPEFFLBLK-CHWSQXEVSA-N 2 0 280.437 2.578 20 0 CFADRP COc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422561938 533097878 /nfs/dbraw/zinc/09/78/78/533097878.db2.gz OKSBFNRHMQHHEX-SRVKXCTJSA-N 2 0 268.426 2.562 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784127 533098177 /nfs/dbraw/zinc/09/81/77/533098177.db2.gz QVDDWYPEFFLBLK-OLZOCXBDSA-N 2 0 280.437 2.578 20 0 CFADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000644522322 384914951 /nfs/dbraw/zinc/91/49/51/384914951.db2.gz MQKCYOURPBWFOY-HZPDHXFCSA-N 2 0 290.451 2.777 20 0 CFADRP c1ccc([C@@H]2C[C@@H]([NH2+]CCN3CCC3)CCN2C2CC2)cc1 ZINC000638786432 384916925 /nfs/dbraw/zinc/91/69/25/384916925.db2.gz AQDAXKNLKLSKGP-HKUYNNGSSA-N 2 0 299.462 2.650 20 0 CFADRP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787853 384918788 /nfs/dbraw/zinc/91/87/88/384918788.db2.gz LUBDVSCFMNILSE-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638787857 384919341 /nfs/dbraw/zinc/91/93/41/384919341.db2.gz MALALRWWQVHXPH-KLAILNCOSA-N 2 0 290.455 2.544 20 0 CFADRP COCC1(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000638788416 384919516 /nfs/dbraw/zinc/91/95/16/384919516.db2.gz JLLXCJWBRLGAJO-INIZCTEOSA-N 2 0 282.472 2.761 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000644535805 384921740 /nfs/dbraw/zinc/92/17/40/384921740.db2.gz LMIYNZVCHKNSPV-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000644558538 384935057 /nfs/dbraw/zinc/93/50/57/384935057.db2.gz VGHAEOASLRGSPZ-LBPRGKRZSA-N 2 0 279.428 2.755 20 0 CFADRP CCC[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638837657 384970799 /nfs/dbraw/zinc/97/07/99/384970799.db2.gz WPFCRAARTCDJJB-QGZVFWFLSA-N 2 0 291.439 2.703 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638838921 384972524 /nfs/dbraw/zinc/97/25/24/384972524.db2.gz SJIXCATVVUMOAT-HOTGVXAUSA-N 2 0 292.467 2.964 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000638848004 384982244 /nfs/dbraw/zinc/98/22/44/384982244.db2.gz FHFBAVJUYDQKJW-ZWKOTPCHSA-N 2 0 293.499 2.739 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@H](OC)C1CCCC1 ZINC000638862782 384994333 /nfs/dbraw/zinc/99/43/33/384994333.db2.gz ITSKBWTXBLSBOE-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(C/C=C\c3ccccc3)C2)C1 ZINC000644784167 385056782 /nfs/dbraw/zinc/05/67/82/385056782.db2.gz ZGJYYACULYEOSL-CTEOGUNLSA-N 2 0 256.393 2.727 20 0 CFADRP Cn1c(C[NH2+]CC2(C)CC[NH+](C)CC2)cc2ccccc21 ZINC000638958344 385056809 /nfs/dbraw/zinc/05/68/09/385056809.db2.gz MHMYSVJBJABUKD-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP CC(C)Oc1cccc(CN(C)CCC[NH+](C)C)c1 ZINC000270368223 385073401 /nfs/dbraw/zinc/07/34/01/385073401.db2.gz SVRATCZXUGALBW-UHFFFAOYSA-N 2 0 264.413 2.857 20 0 CFADRP COCC1(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)CCC1 ZINC000639036897 385108191 /nfs/dbraw/zinc/10/81/91/385108191.db2.gz DDEICTACNMUYSR-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000644920464 385130773 /nfs/dbraw/zinc/13/07/73/385130773.db2.gz QGVXTSBJPQDORG-SFHVURJKSA-N 2 0 294.483 2.999 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000270517505 385131761 /nfs/dbraw/zinc/13/17/61/385131761.db2.gz SOIUKZLHZXGPTR-NVXWUHKLSA-N 2 0 274.408 2.611 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4cnccc4c3)C2)C1 ZINC000644843057 385099292 /nfs/dbraw/zinc/09/92/92/385099292.db2.gz KPRNCIXCMBXFPL-GOSISDBHSA-N 2 0 281.403 2.762 20 0 CFADRP CC[C@H]1CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000644843464 385099768 /nfs/dbraw/zinc/09/97/68/385099768.db2.gz LMDUANRQBPWRJK-HNNXBMFYSA-N 2 0 262.397 2.611 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2CC2CCSCC2)CC1 ZINC000639082497 385160985 /nfs/dbraw/zinc/16/09/85/385160985.db2.gz TZPPUGDYEWKTHP-UHFFFAOYSA-N 2 0 268.470 2.690 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000423211722 533107503 /nfs/dbraw/zinc/10/75/03/533107503.db2.gz LGZJOXAGTPAZFS-ZIAGYGMSSA-N 2 0 262.397 2.654 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423203928 533107692 /nfs/dbraw/zinc/10/76/92/533107692.db2.gz CXILBZBTJDGJME-ZIAGYGMSSA-N 2 0 292.423 2.662 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCO1 ZINC000639121897 385220748 /nfs/dbraw/zinc/22/07/48/385220748.db2.gz QQCDNFJHRFAUAM-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)OC ZINC000639124959 385224451 /nfs/dbraw/zinc/22/44/51/385224451.db2.gz OBDKMIBAXRIRAT-LMPOIIKSSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)C1(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000639173143 385278225 /nfs/dbraw/zinc/27/82/25/385278225.db2.gz UZTFIXDUSRDSJX-KRWDZBQOSA-N 2 0 293.499 2.523 20 0 CFADRP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(F)c1 ZINC000639178963 385289432 /nfs/dbraw/zinc/28/94/32/385289432.db2.gz PXOQHXCJIBHWLW-BBRMVZONSA-N 2 0 264.388 2.906 20 0 CFADRP C(CC[NH2+]CCC1CCOCC1)CC[NH+]1CCCC1 ZINC000639210207 385332711 /nfs/dbraw/zinc/33/27/11/385332711.db2.gz JVITUNFDMDDXOT-UHFFFAOYSA-N 2 0 268.445 2.659 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000639261259 385390186 /nfs/dbraw/zinc/39/01/86/385390186.db2.gz MDZUUBYREHCCTK-NVXWUHKLSA-N 2 0 294.483 2.638 20 0 CFADRP CC[N@H+](CCCc1cnccc1C)C[C@@H]1CCCO1 ZINC000289048339 197221327 /nfs/dbraw/zinc/22/13/27/197221327.db2.gz IFXMWCGACXQWAS-INIZCTEOSA-N 2 0 262.397 2.824 20 0 CFADRP Cc1nc2sccn2c1CN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000271206868 385376453 /nfs/dbraw/zinc/37/64/53/385376453.db2.gz GRUILWKGLBEHQJ-ZDUSSCGKSA-N 2 0 292.452 2.620 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282751343 385382635 /nfs/dbraw/zinc/38/26/35/385382635.db2.gz ASWMPVYUSCUDRU-NJAFHUGGSA-N 2 0 290.451 2.737 20 0 CFADRP CO[C@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000639258502 385388273 /nfs/dbraw/zinc/38/82/73/385388273.db2.gz BIZONHXUSKCOGE-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1scc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000639204252 385325225 /nfs/dbraw/zinc/32/52/25/385325225.db2.gz PZXZGBUSEBVIMD-HNNXBMFYSA-N 2 0 264.438 2.893 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc4nccnc4c3)C2)C1 ZINC000639207646 385327707 /nfs/dbraw/zinc/32/77/07/385327707.db2.gz JKKOQMWWZBDFLQ-GOSISDBHSA-N 2 0 296.418 2.548 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000271919163 385400203 /nfs/dbraw/zinc/40/02/03/385400203.db2.gz ZOGJZQYLHCJYOI-SFHVURJKSA-N 2 0 270.420 2.859 20 0 CFADRP C[NH+](C)C[C@@H](NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000282943521 385414766 /nfs/dbraw/zinc/41/47/66/385414766.db2.gz BKOYCXFMGNXESN-MRXNPFEDSA-N 2 0 295.858 2.627 20 0 CFADRP CC[C@@](C)(C[NH2+][C@H]1CCN(C2CCCCC2)C1)OC ZINC000639322978 385449481 /nfs/dbraw/zinc/44/94/81/385449481.db2.gz YAGSLDMUKNBLSI-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]CC1CCSCC1 ZINC000639302512 385428883 /nfs/dbraw/zinc/42/88/83/385428883.db2.gz HGYWDNDOOPEAII-CYBMUJFWSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC1(F)F ZINC000639302303 385429015 /nfs/dbraw/zinc/42/90/15/385429015.db2.gz LHSMUSJVKIVHLS-UMSGYPCISA-N 2 0 258.356 2.637 20 0 CFADRP C[C@H]1CC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)C1 ZINC000639307503 385435339 /nfs/dbraw/zinc/43/53/39/385435339.db2.gz AGIJEFUOMDUZEF-HUUCEWRRSA-N 2 0 296.499 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@H]1CC1(F)F ZINC000639351912 385475040 /nfs/dbraw/zinc/47/50/40/385475040.db2.gz LTZWNDJZWJOXDR-WCFLWFBJSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CC1(F)F ZINC000639335051 385461398 /nfs/dbraw/zinc/46/13/98/385461398.db2.gz LYLDFOJSIMXYCK-FZMZJTMJSA-N 2 0 272.383 2.742 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000639376248 385493584 /nfs/dbraw/zinc/49/35/84/385493584.db2.gz ZUZBPPYEVAZQFM-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP CC[C@H](COC)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272267515 385494109 /nfs/dbraw/zinc/49/41/09/385494109.db2.gz AQACATITIGAAGD-KBAYOESNSA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639379415 385496965 /nfs/dbraw/zinc/49/69/65/385496965.db2.gz XUUSKXYCOPLXQK-LSDHHAIUSA-N 2 0 270.461 2.854 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000337388655 285178720 /nfs/dbraw/zinc/17/87/20/285178720.db2.gz JMARQFDBMQWGBM-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272422781 385533458 /nfs/dbraw/zinc/53/34/58/385533458.db2.gz GTTMRAUAIWYYBE-WBVHZDCISA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284089650 385533729 /nfs/dbraw/zinc/53/37/29/385533729.db2.gz LVYLPAQONBGIIG-SJLPKXTDSA-N 2 0 288.435 2.762 20 0 CFADRP Cc1ccc2nc(CNCC[NH+]3CCCCCC3)cn2c1 ZINC000284045892 385527361 /nfs/dbraw/zinc/52/73/61/385527361.db2.gz SBHFUQUCNHOVCO-UHFFFAOYSA-N 2 0 286.423 2.608 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000272510592 385556223 /nfs/dbraw/zinc/55/62/23/385556223.db2.gz HOYBPCLDJQLZNJ-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423313607 533130358 /nfs/dbraw/zinc/13/03/58/533130358.db2.gz WZUCTKATLNQFDH-RDTXWAMCSA-N 2 0 299.418 2.558 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000639544394 385578059 /nfs/dbraw/zinc/57/80/59/385578059.db2.gz XNMMDHGPHCQLPB-BHYGNILZSA-N 2 0 292.467 2.750 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423310651 533133607 /nfs/dbraw/zinc/13/36/07/533133607.db2.gz AOKGSRBOYXGRHG-HOTGVXAUSA-N 2 0 262.397 2.719 20 0 CFADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000639659636 385643589 /nfs/dbraw/zinc/64/35/89/385643589.db2.gz AGCILRUTSUJDNS-NVXWUHKLSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683881 385659372 /nfs/dbraw/zinc/65/93/72/385659372.db2.gz NHOMGJMXDBESRU-UHFFFAOYSA-N 2 0 288.420 2.559 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCCCC1 ZINC000423137545 533142491 /nfs/dbraw/zinc/14/24/91/533142491.db2.gz HZXYWDCPGUKABC-CABCVRRESA-N 2 0 268.445 2.690 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCCCOC(C)(C)C)C2)CC1 ZINC000639754616 385696084 /nfs/dbraw/zinc/69/60/84/385696084.db2.gz DBFGZNKDXZHNIV-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)n1 ZINC000639758438 385697296 /nfs/dbraw/zinc/69/72/96/385697296.db2.gz SWRAGLQGKCANMV-UHFFFAOYSA-N 2 0 273.424 2.616 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000639756624 385697574 /nfs/dbraw/zinc/69/75/74/385697574.db2.gz ZLEVDEYKPGJLCS-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755771 385697733 /nfs/dbraw/zinc/69/77/33/385697733.db2.gz MRQGLALHDFSJGY-KRWDZBQOSA-N 2 0 293.499 2.667 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000639756981 385698310 /nfs/dbraw/zinc/69/83/10/385698310.db2.gz BPIBWZRIOAQDNQ-UHFFFAOYSA-N 2 0 280.362 2.883 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759628 385699508 /nfs/dbraw/zinc/69/95/08/385699508.db2.gz FBSKBFXKZXEJLG-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000639760235 385699630 /nfs/dbraw/zinc/69/96/30/385699630.db2.gz UOWLBIQBDOGKBG-UHFFFAOYSA-N 2 0 292.398 2.622 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000639765113 385699772 /nfs/dbraw/zinc/69/97/72/385699772.db2.gz ZZXFIQRIDGTKAU-UHFFFAOYSA-N 2 0 280.362 2.883 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2cccnc2)C1 ZINC000639697052 385670849 /nfs/dbraw/zinc/67/08/49/385670849.db2.gz VFPXPWVFEBTYJH-IAGOWNOFSA-N 2 0 273.424 2.745 20 0 CFADRP CC[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000286876861 385729111 /nfs/dbraw/zinc/72/91/11/385729111.db2.gz CELYYCXXWFLAOA-QGZVFWFLSA-N 2 0 293.430 2.502 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000122688864 413008969 /nfs/dbraw/zinc/00/89/69/413008969.db2.gz PDRURWCFRISDJL-PBHICJAKSA-N 2 0 292.423 2.523 20 0 CFADRP Cc1ccc2c(c1)nc(CN[C@H]1CC[N@@H+]3CCC[C@H]3C1)n2C ZINC000274449923 385801935 /nfs/dbraw/zinc/80/19/35/385801935.db2.gz SGBSVHZWTBTFFK-GJZGRUSLSA-N 2 0 298.434 2.598 20 0 CFADRP Cc1ncc([C@H](C)NCC[C@H]2CCCC[N@@H+]2C)s1 ZINC000639995361 385813152 /nfs/dbraw/zinc/81/31/52/385813152.db2.gz UWYIGEGRFXIPSM-WCQYABFASA-N 2 0 267.442 2.977 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CCCC[NH+](C)C)cc1F ZINC000274662494 385844428 /nfs/dbraw/zinc/84/44/28/385844428.db2.gz NNRUXKXSFKUAIO-AWEZNQCLSA-N 2 0 296.430 2.944 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000287173643 385794762 /nfs/dbraw/zinc/79/47/62/385794762.db2.gz CHNPODJFUDDROI-RYQLBKOJSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000274981480 385905770 /nfs/dbraw/zinc/90/57/70/385905770.db2.gz ZJIJGTUDLISMME-NSHDSACASA-N 2 0 255.793 2.727 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274819535 385877988 /nfs/dbraw/zinc/87/79/88/385877988.db2.gz BLTXCDSSDRHUGC-TZMCWYRMSA-N 2 0 299.846 2.742 20 0 CFADRP C[C@H](CF)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000288515026 197099954 /nfs/dbraw/zinc/09/99/54/197099954.db2.gz UCDWTSBSGKMJHB-CQSZACIVSA-N 2 0 293.430 2.665 20 0 CFADRP Cc1cc(OCC[N@H+](C)CCC[NH3+])ccc1C(C)C ZINC000123327036 413010836 /nfs/dbraw/zinc/01/08/36/413010836.db2.gz PUHJCBWBPXVSKY-UHFFFAOYSA-N 2 0 264.413 2.778 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000423264140 533167318 /nfs/dbraw/zinc/16/73/18/533167318.db2.gz YFNVBAGUBADLLU-QWHCGFSZSA-N 2 0 280.387 2.875 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423203925 533171497 /nfs/dbraw/zinc/17/14/97/533171497.db2.gz CXILBZBTJDGJME-KBPBESRZSA-N 2 0 292.423 2.662 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423325072 533175607 /nfs/dbraw/zinc/17/56/07/533175607.db2.gz PYDLBQGEIUCMAT-TYNCELHUSA-N 2 0 292.423 2.523 20 0 CFADRP FC(F)(F)C1CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000681081343 542408080 /nfs/dbraw/zinc/40/80/80/542408080.db2.gz ARKGTEHJOYXGSC-ZFQMDJOTSA-N 2 0 276.346 2.506 20 0 CFADRP FC(F)(F)C1CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000681081336 542408350 /nfs/dbraw/zinc/40/83/50/542408350.db2.gz ARKGTEHJOYXGSC-QZQSVVMZSA-N 2 0 276.346 2.506 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000681400254 542448238 /nfs/dbraw/zinc/44/82/38/542448238.db2.gz DMFNCIXYZVIQHU-XIRDDKMYSA-N 2 0 282.472 2.900 20 0 CFADRP COc1ccc([C@H]([NH2+]CC2([NH3+])CCC2)C(C)C)cc1 ZINC000423332017 533193864 /nfs/dbraw/zinc/19/38/64/533193864.db2.gz QKZAIJNNJNHYMZ-OAHLLOKOSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@H](C)C[NH3+])C(C)C)cc1 ZINC000423298596 533197580 /nfs/dbraw/zinc/19/75/80/533197580.db2.gz OSJJHCHBAVOTEW-IUODEOHRSA-N 2 0 250.386 2.577 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](COC)C2CCCC2)CC1 ZINC000575206604 322721991 /nfs/dbraw/zinc/72/19/91/322721991.db2.gz FRJJXGXATVLARZ-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CSC1)N(C)C ZINC000682409344 542550529 /nfs/dbraw/zinc/55/05/29/542550529.db2.gz OAJMMNWEHBEEGJ-SWLSCSKDSA-N 2 0 264.438 2.691 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884717 285371380 /nfs/dbraw/zinc/37/13/80/285371380.db2.gz QNXRRDWZSQVRPU-HNNXBMFYSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423453561 533299339 /nfs/dbraw/zinc/29/93/39/533299339.db2.gz AQCZIKABVCHGGP-HACGYAERSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCC[NH3+])CCS2 ZINC000423469217 533301218 /nfs/dbraw/zinc/30/12/18/533301218.db2.gz YQUSAGNHTVRPFG-SMDDNHRTSA-N 2 0 280.437 2.949 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414808189 533387808 /nfs/dbraw/zinc/38/78/08/533387808.db2.gz RXWWIHMMQKUYNG-DZGCQCFKSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000422808533 533339169 /nfs/dbraw/zinc/33/91/69/533339169.db2.gz OGZMQPQUNKSXHV-SNVBAGLBSA-N 2 0 288.313 2.988 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(F)c1 ZINC000423331491 533355324 /nfs/dbraw/zinc/35/53/24/533355324.db2.gz OMWCFKJSJPWMBT-GFCCVEGCSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000414821210 533390715 /nfs/dbraw/zinc/39/07/15/533390715.db2.gz KZFOZSUWBRCCME-PBHICJAKSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422948531 533365153 /nfs/dbraw/zinc/36/51/53/533365153.db2.gz SDMXQCLRXOYSNZ-XJKSGUPXSA-N 2 0 276.424 2.690 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000423334874 533366607 /nfs/dbraw/zinc/36/66/07/533366607.db2.gz GCIWRXDTBCZYQM-SECBINFHSA-N 2 0 256.802 2.972 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1csc(Cl)c1 ZINC000423329749 533366706 /nfs/dbraw/zinc/36/67/06/533366706.db2.gz BMECUFHUCWLKBO-SECBINFHSA-N 2 0 256.802 2.972 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000423343922 533366754 /nfs/dbraw/zinc/36/67/54/533366754.db2.gz MHWSSUMQKDQTMP-LLVKDONJSA-N 2 0 273.405 2.867 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422946588 533366867 /nfs/dbraw/zinc/36/68/67/533366867.db2.gz PDBDOFLFRGIDRO-YOEHRIQHSA-N 2 0 290.451 2.951 20 0 CFADRP C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000422827670 533377771 /nfs/dbraw/zinc/37/77/71/533377771.db2.gz DZJATKMHUHSPJT-CZUORRHYSA-N 2 0 280.387 2.715 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000414068082 533377818 /nfs/dbraw/zinc/37/78/18/533377818.db2.gz JMQATSQQKDIGRO-HUUCEWRRSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000423322296 533377856 /nfs/dbraw/zinc/37/78/56/533377856.db2.gz GLIRJFSVCWFJKI-SNVBAGLBSA-N 2 0 276.302 2.975 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422781724 533384361 /nfs/dbraw/zinc/38/43/61/533384361.db2.gz IYXUUSSUCLCPJP-CVEARBPZSA-N 2 0 276.424 2.796 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771610 533386463 /nfs/dbraw/zinc/38/64/63/533386463.db2.gz AAXWEFOQDWRVJW-HOTGVXAUSA-N 2 0 288.435 2.825 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414824620 533447484 /nfs/dbraw/zinc/44/74/84/533447484.db2.gz QZUHYXXEFXYXDE-PBHICJAKSA-N 2 0 288.435 2.953 20 0 CFADRP COc1c(C)cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1C ZINC000420299859 533395420 /nfs/dbraw/zinc/39/54/20/533395420.db2.gz JPSGPZTVMJHKHM-HNNXBMFYSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423250695 533402128 /nfs/dbraw/zinc/40/21/28/533402128.db2.gz QVYXCGYQLNXJEY-GHMZBOCLSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@H]1CCC[NH2+]1 ZINC000422833368 533404466 /nfs/dbraw/zinc/40/44/66/533404466.db2.gz GOSQZMKLUQVJEW-IAQYHMDHSA-N 2 0 275.371 2.580 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cncs1 ZINC000423428484 533436035 /nfs/dbraw/zinc/43/60/35/533436035.db2.gz RKQURUQMOVJVAL-IJLUTSLNSA-N 2 0 253.415 2.559 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422730115 533474941 /nfs/dbraw/zinc/47/49/41/533474941.db2.gz DGWCXXOWISFWGY-RHSMWYFYSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)[C@@H]1CCC[NH2+]1 ZINC000423166419 533496932 /nfs/dbraw/zinc/49/69/32/533496932.db2.gz CNQVLRHYMLRVKB-LZWOXQAQSA-N 2 0 261.413 2.523 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422775933 533512260 /nfs/dbraw/zinc/51/22/60/533512260.db2.gz CNCGKJIHSKGLFK-VBQJREDUSA-N 2 0 276.424 2.746 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414805468 533512617 /nfs/dbraw/zinc/51/26/17/533512617.db2.gz YOCSECPAKJPZJA-BBRMVZONSA-N 2 0 264.413 2.589 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422726342 533533222 /nfs/dbraw/zinc/53/32/22/533533222.db2.gz DQCOXHJFOPTLPK-NXEZZACHSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnccc1C(C)(C)C ZINC000423169026 533539520 /nfs/dbraw/zinc/53/95/20/533539520.db2.gz IOVSRUFKRPTEAY-ZDUSSCGKSA-N 2 0 263.429 2.986 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422868018 533540994 /nfs/dbraw/zinc/54/09/94/533540994.db2.gz UHNLXJSEBRYUMX-STQMWFEESA-N 2 0 297.393 2.651 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000414775989 533661200 /nfs/dbraw/zinc/66/12/00/533661200.db2.gz DVPUBSHQHZWCTB-LBPRGKRZSA-N 2 0 298.377 2.951 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423345718 533654234 /nfs/dbraw/zinc/65/42/34/533654234.db2.gz GDFRCBHUGDRAHQ-LBPRGKRZSA-N 2 0 280.362 2.795 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c2ccccc12 ZINC000414896077 533666382 /nfs/dbraw/zinc/66/63/82/533666382.db2.gz ODFDRTYMXDRGMS-MRXNPFEDSA-N 2 0 270.376 2.675 20 0 CFADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1C[NH2+]C1 ZINC000423304720 533666666 /nfs/dbraw/zinc/66/66/66/533666666.db2.gz OZHHSVMGXIRRIB-NSHDSACASA-N 2 0 286.341 2.836 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000341879511 130106018 /nfs/dbraw/zinc/10/60/18/130106018.db2.gz TUWAABDIUNZDCW-LBPRGKRZSA-N 2 0 298.402 2.835 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000341891321 130115813 /nfs/dbraw/zinc/11/58/13/130115813.db2.gz CVHNNEJNEHEJFB-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000682912087 542608857 /nfs/dbraw/zinc/60/88/57/542608857.db2.gz ILQAMKGBKUXEFI-PBHICJAKSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccnc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000683004328 542625869 /nfs/dbraw/zinc/62/58/69/542625869.db2.gz MBZFMJYNGJWFHU-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP Cc1ccc(C)c(OCCC[NH2+]CC2([NH3+])CCC2)c1 ZINC000342105372 130264330 /nfs/dbraw/zinc/26/43/30/130264330.db2.gz OKTGPRUQZYSEJP-UHFFFAOYSA-N 2 0 262.397 2.543 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)ccn2)[C@H](C)C1 ZINC000683018171 542628683 /nfs/dbraw/zinc/62/86/83/542628683.db2.gz ZRJWLOCHCZRNTL-GDBMZVCRSA-N 2 0 261.413 2.552 20 0 CFADRP CC[C@]1([NH2+]Cc2ccc(-n3ccnc3)cc2C)CCOC1 ZINC000683041817 542633794 /nfs/dbraw/zinc/63/37/94/542633794.db2.gz FNXGTTQWZPXZRD-KRWDZBQOSA-N 2 0 285.391 2.839 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000342153610 130346715 /nfs/dbraw/zinc/34/67/15/130346715.db2.gz ZNTMFCGNMQRUEV-WFASDCNBSA-N 2 0 292.423 2.585 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366764204 130354902 /nfs/dbraw/zinc/35/49/02/130354902.db2.gz UYUMIKFYIBZWRR-HZPDHXFCSA-N 2 0 292.471 2.768 20 0 CFADRP CC/C=C/CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000342224230 130396898 /nfs/dbraw/zinc/39/68/98/130396898.db2.gz VIEUKNXXHVEODX-ONEGZZNKSA-N 2 0 280.456 2.777 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000683142468 542645373 /nfs/dbraw/zinc/64/53/73/542645373.db2.gz JQCNQBAURZASQD-CYBMUJFWSA-N 2 0 296.377 2.762 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000683694225 542711806 /nfs/dbraw/zinc/71/18/06/542711806.db2.gz QYGYAWNWVKGQLM-INIZCTEOSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927798 542745952 /nfs/dbraw/zinc/74/59/52/542745952.db2.gz YJOJWJYAALDXSU-UHFFFAOYSA-N 2 0 257.381 2.599 20 0 CFADRP C[N@@H+](Cc1cc2ccccc2[nH]1)CC1CC[NH+](C)CC1 ZINC000684022192 542756689 /nfs/dbraw/zinc/75/66/89/542756689.db2.gz FQGBOBJAARXVJD-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192477441 413058134 /nfs/dbraw/zinc/05/81/34/413058134.db2.gz NQOIPHUKJWSYBQ-VVLHAWIVSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)CC[N@@H+]1C ZINC000180010139 393475805 /nfs/dbraw/zinc/47/58/05/393475805.db2.gz RFJMEKAPGXOJSW-OWCLPIDISA-N 2 0 296.455 2.525 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000020093837 393485336 /nfs/dbraw/zinc/48/53/36/393485336.db2.gz JOCGXUHZIXPHEY-GOSISDBHSA-N 2 0 289.467 2.752 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000302441140 393491983 /nfs/dbraw/zinc/49/19/83/393491983.db2.gz NMLNPVPQYBKWPX-JHJVBQTASA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000036907636 393524937 /nfs/dbraw/zinc/52/49/37/393524937.db2.gz JHFPQUQGAGURGX-RYRKJORJSA-N 2 0 289.467 2.831 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000380896779 393558998 /nfs/dbraw/zinc/55/89/98/393558998.db2.gz LXURXQXEAMXTMA-XPABHHOTSA-N 2 0 268.470 2.781 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccsc1 ZINC000042600026 393555160 /nfs/dbraw/zinc/55/51/60/393555160.db2.gz CVHLSDDYILWNPC-YRGRVCCFSA-N 2 0 252.427 2.609 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000684378372 542796267 /nfs/dbraw/zinc/79/62/67/542796267.db2.gz JRORGMOQFVGVIH-KFWWJZLASA-N 2 0 270.461 2.900 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000684388115 542798775 /nfs/dbraw/zinc/79/87/75/542798775.db2.gz WECNKIWQVBHKIA-FJBKBRRZSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H](C)c1ccccc1F ZINC000383746438 393575775 /nfs/dbraw/zinc/57/57/75/393575775.db2.gz LKVQDYYOSRFRGJ-KBPBESRZSA-N 2 0 282.403 2.520 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2cnccc2c1)C[NH+](C)C ZINC000381990270 393569629 /nfs/dbraw/zinc/56/96/29/393569629.db2.gz JUQIGOXUVVWAIY-CYBMUJFWSA-N 2 0 257.381 2.522 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCCC2)c2ccccc21 ZINC000386324686 393586835 /nfs/dbraw/zinc/58/68/35/393586835.db2.gz YXKCHVFDGWNKIE-IKGGRYGDSA-N 2 0 274.408 2.662 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000386488415 393586925 /nfs/dbraw/zinc/58/69/25/393586925.db2.gz TYRKBSITWCOYQL-MSOLQXFVSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1scnc1C1CC1)CC[NH2+]CC2 ZINC000335544017 393677081 /nfs/dbraw/zinc/67/70/81/393677081.db2.gz QDRMBRODJLCEMG-LBPRGKRZSA-N 2 0 291.464 2.985 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000192131566 393613572 /nfs/dbraw/zinc/61/35/72/393613572.db2.gz NSZUUBYAQLUDFY-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCS[C@H](C)CC1 ZINC000192188167 393616341 /nfs/dbraw/zinc/61/63/41/393616341.db2.gz RNRDENMTGUJZRE-CYBMUJFWSA-N 2 0 267.442 2.799 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000051669209 393617381 /nfs/dbraw/zinc/61/73/81/393617381.db2.gz JCCNFQHTLTVZMZ-ZMSDIMECSA-N 2 0 260.425 2.856 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)[C@@H]1CC[NH3+] ZINC000404421790 393618876 /nfs/dbraw/zinc/61/88/76/393618876.db2.gz JCPATGJSUIJGGY-OWCLPIDISA-N 2 0 280.456 2.928 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000192323390 393621617 /nfs/dbraw/zinc/62/16/17/393621617.db2.gz WHAVUCPBHQNTRM-UHFFFAOYSA-N 2 0 265.401 2.522 20 0 CFADRP CC1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]CC1 ZINC000334866514 393625850 /nfs/dbraw/zinc/62/58/50/393625850.db2.gz XGUUXUDHJKVZOG-OAHLLOKOSA-N 2 0 278.827 2.787 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)n1 ZINC000334983891 393630644 /nfs/dbraw/zinc/63/06/44/393630644.db2.gz UGXVFADJXIFYNQ-RDJZCZTQSA-N 2 0 273.424 2.662 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335015090 393634104 /nfs/dbraw/zinc/63/41/04/393634104.db2.gz XZQDZVJYDGAYAB-CJNGLKHVSA-N 2 0 273.424 2.522 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCOc3ccccc32)CC[NH2+]CC1 ZINC000335026767 393635040 /nfs/dbraw/zinc/63/50/40/393635040.db2.gz ZFGQCGWOFVNWNP-OAHLLOKOSA-N 2 0 274.408 2.880 20 0 CFADRP C[C@@H]1CC[N@H+](C)CCN1Cc1cnc2ccc(Cl)cn12 ZINC000335343174 393661647 /nfs/dbraw/zinc/66/16/47/393661647.db2.gz YKQSSEZFAUHZMQ-GFCCVEGCSA-N 2 0 292.814 2.514 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000088455516 393761841 /nfs/dbraw/zinc/76/18/41/393761841.db2.gz JRSAFRPDVZJYGI-HSMVNMDESA-N 2 0 250.430 2.741 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@@H]21 ZINC000336719522 393747672 /nfs/dbraw/zinc/74/76/72/393747672.db2.gz SOMFCSOEWSKZND-FGTMMUONSA-N 2 0 288.435 2.653 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000216012884 393754703 /nfs/dbraw/zinc/75/47/03/393754703.db2.gz NYHMOBWQBXDHJQ-CHWSQXEVSA-N 2 0 274.408 2.569 20 0 CFADRP c1ncc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000411393727 393706643 /nfs/dbraw/zinc/70/66/43/393706643.db2.gz AQPZMCVYJMMCGF-XJKSGUPXSA-N 2 0 291.464 2.634 20 0 CFADRP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411432166 393712644 /nfs/dbraw/zinc/71/26/44/393712644.db2.gz YLQLLCLHKXDENB-MAUKXSAKSA-N 2 0 288.435 2.628 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCc2cncs2)CC1 ZINC000411431056 393712655 /nfs/dbraw/zinc/71/26/55/393712655.db2.gz UFWZFPSGUUJUAX-UHFFFAOYSA-N 2 0 281.469 2.739 20 0 CFADRP CC[NH+](CC)CCNc1cc[nH+]c2c(O)cccc12 ZINC000684565029 542826902 /nfs/dbraw/zinc/82/69/02/542826902.db2.gz HWPIZJFGSWDUOC-UHFFFAOYSA-N 2 0 259.353 2.694 20 0 CFADRP C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411539607 393723649 /nfs/dbraw/zinc/72/36/49/393723649.db2.gz YIGYFQBWJJAPLT-JKSUJKDBSA-N 2 0 290.451 2.779 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000226331670 393770666 /nfs/dbraw/zinc/77/06/66/393770666.db2.gz YOCXZYDCJUJJIZ-IXDOHACOSA-N 2 0 281.488 2.617 20 0 CFADRP [NH3+][C@H](CCc1nc(C2([NH3+])CCC2)no1)CC1CCCCC1 ZINC000424339769 393835911 /nfs/dbraw/zinc/83/59/11/393835911.db2.gz QYPSOGHESCTIGL-CYBMUJFWSA-N 2 0 292.427 2.638 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000424232713 393801565 /nfs/dbraw/zinc/80/15/65/393801565.db2.gz DVTHJGVGDFHJGV-CXAGYDPISA-N 2 0 297.402 2.728 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702621 393802640 /nfs/dbraw/zinc/80/26/40/393802640.db2.gz IXCGTGGENIPQQY-CBBWQLFWSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@@H]1[NH3+] ZINC000414765156 393803555 /nfs/dbraw/zinc/80/35/55/393803555.db2.gz PIYFFFWFRKNPPI-MXASKKJJSA-N 2 0 258.409 2.776 20 0 CFADRP CC1(C)CCC(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000414784140 393805330 /nfs/dbraw/zinc/80/53/30/393805330.db2.gz QVDOJLMDYJEORN-MRXNPFEDSA-N 2 0 294.483 2.890 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414826669 393805446 /nfs/dbraw/zinc/80/54/46/393805446.db2.gz GAECMWQPGWYNIN-IIDMSEBBSA-N 2 0 289.467 2.788 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC3 ZINC000414839879 393806893 /nfs/dbraw/zinc/80/68/93/393806893.db2.gz WSBVAERRJNAFHY-LSDHHAIUSA-N 2 0 297.446 2.923 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414841335 393807190 /nfs/dbraw/zinc/80/71/90/393807190.db2.gz HVSOHNRGUZSPMB-YESZJQIVSA-N 2 0 258.409 2.973 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH3+] ZINC000414915330 393807895 /nfs/dbraw/zinc/80/78/95/393807895.db2.gz ZCVCCTCOJYACND-UHFFFAOYSA-N 2 0 286.423 2.824 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[NH2+]CC[C@@H]3C)CC2)C1 ZINC000414906636 393808236 /nfs/dbraw/zinc/80/82/36/393808236.db2.gz AETNKHCBWTYWHZ-FZCLSBEQSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000415035591 393810430 /nfs/dbraw/zinc/81/04/30/393810430.db2.gz KXBJJWGVSOCGCZ-FZCLSBEQSA-N 2 0 287.451 2.539 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000415074894 393811127 /nfs/dbraw/zinc/81/11/27/393811127.db2.gz AMYKCZHODHPXIC-KCQAQPDRSA-N 2 0 262.397 2.514 20 0 CFADRP CCOCCC1(C[NH2+]C[C@@H]([NH3+])CC(C)C)CCCC1 ZINC000415089922 393812289 /nfs/dbraw/zinc/81/22/89/393812289.db2.gz OBXWNMCCBOTDIE-HNNXBMFYSA-N 2 0 270.461 2.936 20 0 CFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340210449 393838248 /nfs/dbraw/zinc/83/82/48/393838248.db2.gz QTRZMDULXHXHOG-NXHRZFHOSA-N 3 0 289.467 2.752 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(C)nn(C)c1C ZINC000339068174 393815710 /nfs/dbraw/zinc/81/57/10/393815710.db2.gz PRNQEEIVVNSRJA-JYJNAYRXSA-N 2 0 290.455 2.704 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000245708881 393823930 /nfs/dbraw/zinc/82/39/30/393823930.db2.gz CDNRMLKWEJRQGI-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000245708884 393824435 /nfs/dbraw/zinc/82/44/35/393824435.db2.gz CDNRMLKWEJRQGI-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000424330987 393831121 /nfs/dbraw/zinc/83/11/21/393831121.db2.gz SMBLOBCWEIYSSB-ZIAGYGMSSA-N 2 0 298.471 2.817 20 0 CFADRP CC[C@H](C)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000245881497 393832333 /nfs/dbraw/zinc/83/23/33/393832333.db2.gz UNTYYHXWICMFSN-GVDBMIGSSA-N 2 0 281.488 2.523 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000425357012 393877597 /nfs/dbraw/zinc/87/75/97/393877597.db2.gz PUJZNJYZLKTQRZ-HZSPNIEDSA-N 2 0 256.459 2.735 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248590382 393911522 /nfs/dbraw/zinc/91/15/22/393911522.db2.gz YLDCXECLDWEKBH-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000246910140 393889870 /nfs/dbraw/zinc/88/98/70/393889870.db2.gz FVLVAUQVLSSEEF-VBQJREDUSA-N 2 0 276.424 2.643 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000343951377 393892990 /nfs/dbraw/zinc/89/29/90/393892990.db2.gz MPYCYOWXOCZMKV-INMHGKMJSA-N 2 0 276.424 2.522 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1O ZINC000424369283 393840124 /nfs/dbraw/zinc/84/01/24/393840124.db2.gz REAGDCDQEYAOIY-NWANDNLSSA-N 2 0 292.423 2.581 20 0 CFADRP Cc1ccc(CCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000424369446 393840799 /nfs/dbraw/zinc/84/07/99/393840799.db2.gz BMUKVTYDTAWCFC-INIZCTEOSA-N 2 0 287.451 2.787 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424369118 393840925 /nfs/dbraw/zinc/84/09/25/393840925.db2.gz QRLWSEKWDFSWMX-DZJNRPSUSA-N 2 0 287.451 2.681 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381683 393842143 /nfs/dbraw/zinc/84/21/43/393842143.db2.gz ZJFHRSSIDWSKRS-MIGQKNRLSA-N 2 0 262.397 2.622 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000340467610 393843028 /nfs/dbraw/zinc/84/30/28/393843028.db2.gz VTXQNWHXGOUUTG-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773080 542852342 /nfs/dbraw/zinc/85/23/42/542852342.db2.gz ATPSKQOHLOQZPG-DOTOQJQBSA-N 2 0 282.472 2.924 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428852159 393918594 /nfs/dbraw/zinc/91/85/94/393918594.db2.gz UWWSWRGMAVWQMJ-UHFFFAOYSA-N 2 0 281.400 2.867 20 0 CFADRP FC(F)(F)c1ccccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261758679 393950479 /nfs/dbraw/zinc/95/04/79/393950479.db2.gz NMHFCZMVRDIOLU-YPMHNXCESA-N 2 0 284.325 2.747 20 0 CFADRP Cc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000119955290 393927790 /nfs/dbraw/zinc/92/77/90/393927790.db2.gz PTWSIYZZAKFDIL-MRXNPFEDSA-N 2 0 298.390 2.814 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251772344 393933819 /nfs/dbraw/zinc/93/38/19/393933819.db2.gz FCWIHMWJHWUXKX-HLPPOEQASA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1C1CCCCC1 ZINC000346843271 393933960 /nfs/dbraw/zinc/93/39/60/393933960.db2.gz XVVRLIPWGMRGJV-UONOGXRCSA-N 2 0 290.455 2.637 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3ccsc3)C2)C1 ZINC000429022948 393934954 /nfs/dbraw/zinc/93/49/54/393934954.db2.gz UFFSKSDBXVPTIR-HNNXBMFYSA-N 2 0 264.438 2.708 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000252495324 393936156 /nfs/dbraw/zinc/93/61/56/393936156.db2.gz QCBXDYOQEUQZNJ-AAVRWANBSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H]([NH2+]CC1(O)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919915 393946029 /nfs/dbraw/zinc/94/60/29/393946029.db2.gz AUJHZDXMTHDSJT-GJZGRUSLSA-N 2 0 280.456 2.534 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000258990945 393946355 /nfs/dbraw/zinc/94/63/55/393946355.db2.gz LSVOLWSOJRNGGI-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCC2 ZINC000429992627 393953810 /nfs/dbraw/zinc/95/38/10/393953810.db2.gz RHOBHTXASXNROR-CKUJCDMFSA-N 2 0 280.456 2.797 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)CC(C)C ZINC000417388575 393954406 /nfs/dbraw/zinc/95/44/06/393954406.db2.gz ZVWYDQUEQBIJKI-ZJIFWQFVSA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000349127099 393963151 /nfs/dbraw/zinc/96/31/51/393963151.db2.gz HWWBVNFKDHQQRH-RYQLBKOJSA-N 2 0 294.483 2.855 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000352967006 394023348 /nfs/dbraw/zinc/02/33/48/394023348.db2.gz KOKSVHSUMNHOCV-BYCMXARLSA-N 2 0 278.371 2.579 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](CCC)CC1 ZINC000122749374 393971856 /nfs/dbraw/zinc/97/18/56/393971856.db2.gz XFPBEAYSXRXSRF-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP CC1=C[C@@H](C)C[N@H+](CCOCC[NH+]2CC(C)=C[C@H](C)C2)C1 ZINC000430273814 393977489 /nfs/dbraw/zinc/97/74/89/393977489.db2.gz BJHQFMUXLAKVMW-WOVMCDHWSA-N 2 0 292.467 2.799 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000486981176 393977716 /nfs/dbraw/zinc/97/77/16/393977716.db2.gz QYIQTCUCKFKUBE-SNAWJCMRSA-N 2 0 273.424 2.949 20 0 CFADRP CCCc1nc(CN(C)CC[C@H]([NH3+])C(C)C)cs1 ZINC000123700321 393986281 /nfs/dbraw/zinc/98/62/81/393986281.db2.gz GIACHONPCDVISH-ZDUSSCGKSA-N 2 0 269.458 2.901 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccs1 ZINC000124367027 393994017 /nfs/dbraw/zinc/99/40/17/393994017.db2.gz RACYKISJEMFEBI-AWEZNQCLSA-N 2 0 295.496 2.672 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cncn2CC)CC1 ZINC000417715533 393995722 /nfs/dbraw/zinc/99/57/22/393995722.db2.gz SUYIGYCBLBADPK-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP CCCc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268966981 393996985 /nfs/dbraw/zinc/99/69/85/393996985.db2.gz HDRHVNHMMYLPNA-OAHLLOKOSA-N 2 0 290.451 2.746 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000430617760 393999658 /nfs/dbraw/zinc/99/96/58/393999658.db2.gz OUVRUEDEYSUBLM-GOSISDBHSA-N 2 0 290.451 2.567 20 0 CFADRP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C[NH3+])CC1 ZINC000430615055 393999744 /nfs/dbraw/zinc/99/97/44/393999744.db2.gz AWYTVDSFAGZRET-UHFFFAOYSA-N 2 0 291.420 2.882 20 0 CFADRP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCCC1)C1CC1 ZINC000351449248 394003454 /nfs/dbraw/zinc/00/34/54/394003454.db2.gz YBUTUUZMEUYOGI-QZTJIDSGSA-N 2 0 294.483 2.876 20 0 CFADRP FCCC[NH+]1CCCC2(CCC[N@@H+](CCCF)C2)C1 ZINC000352009607 394009664 /nfs/dbraw/zinc/00/96/64/394009664.db2.gz WDLUPVFMSDFMJC-UHFFFAOYSA-N 2 0 274.399 2.884 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000125618610 394010677 /nfs/dbraw/zinc/01/06/77/394010677.db2.gz VOIPYNMYIPSURG-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487558469 394011741 /nfs/dbraw/zinc/01/17/41/394011741.db2.gz YNGGCVNGUTYBQO-RRFJBIMHSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000352540878 394015340 /nfs/dbraw/zinc/01/53/40/394015340.db2.gz QSQZHZMDENRQFB-OWCLPIDISA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000274874620 394045088 /nfs/dbraw/zinc/04/50/88/394045088.db2.gz GIIUCUVOIFOWOY-WMLDXEAASA-N 2 0 271.408 2.843 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cn(C)c2c1 ZINC000437104198 394047028 /nfs/dbraw/zinc/04/70/28/394047028.db2.gz NPOPJWNGNTZKIG-CRAIPNDOSA-N 2 0 299.462 2.959 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000276610507 394050835 /nfs/dbraw/zinc/05/08/35/394050835.db2.gz INAKVQSWTAHOTD-UHFFFAOYSA-N 2 0 286.419 2.827 20 0 CFADRP COc1cccc(OC)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000419799480 394064133 /nfs/dbraw/zinc/06/41/33/394064133.db2.gz XGEYGRRSRVPZKH-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCOC2)C1 ZINC000437703599 394070181 /nfs/dbraw/zinc/07/01/81/394070181.db2.gz WNOOMCOKEWWNSU-KURKYZTESA-N 2 0 294.483 2.999 20 0 CFADRP c1cncc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CCC2)c1 ZINC000280423875 394072523 /nfs/dbraw/zinc/07/25/23/394072523.db2.gz ZOKLXRKQTQJRAJ-KSSFIOAISA-N 2 0 285.435 2.997 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000356028961 394073596 /nfs/dbraw/zinc/07/35/96/394073596.db2.gz MWPXQZZSTJTFSG-HOTGVXAUSA-N 2 0 297.487 2.534 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000130140755 394103649 /nfs/dbraw/zinc/10/36/49/394103649.db2.gz BUHWYLCZDXOTPH-USXIJHARSA-N 2 0 288.435 2.843 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000437800464 394077093 /nfs/dbraw/zinc/07/70/93/394077093.db2.gz NFQRPAKFPKJJNV-UONOGXRCSA-N 2 0 252.789 2.915 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000128856893 394077787 /nfs/dbraw/zinc/07/77/87/394077787.db2.gz RVQWUVQPWUFGBZ-HLLBOEOZSA-N 2 0 282.472 2.638 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000358340848 394104166 /nfs/dbraw/zinc/10/41/66/394104166.db2.gz MMYUCLVUFHMSMQ-IMJJTQAJSA-N 2 0 270.461 2.900 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)CCOC)CC1 ZINC000129455040 394088726 /nfs/dbraw/zinc/08/87/26/394088726.db2.gz IVKSOHWMVDGTNF-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)s1 ZINC000129719838 394093348 /nfs/dbraw/zinc/09/33/48/394093348.db2.gz YEMZJDGASXREEK-SUZMYJTESA-N 2 0 267.442 2.893 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000353431176 394030790 /nfs/dbraw/zinc/03/07/90/394030790.db2.gz LEVAJZULUDFVPY-OAGGEKHMSA-N 2 0 297.487 2.532 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353526448 394031137 /nfs/dbraw/zinc/03/11/37/394031137.db2.gz AQLBEZOCUZNPLK-LRVUVFPRSA-N 2 0 250.386 2.673 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)C1CCCC1)C1(C(=O)OC)CCC1 ZINC000353537685 394032216 /nfs/dbraw/zinc/03/22/16/394032216.db2.gz QCBWWWSADOLCTL-OAHLLOKOSA-N 2 0 296.455 2.572 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC[NH+](C)CC1 ZINC000353622741 394033559 /nfs/dbraw/zinc/03/35/59/394033559.db2.gz NIBRNZUMINIWFC-KFWWJZLASA-N 2 0 282.497 2.982 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000353744679 394035627 /nfs/dbraw/zinc/03/56/27/394035627.db2.gz HAROVGSHCODZIW-WMLDXEAASA-N 2 0 288.435 2.926 20 0 CFADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000420265463 394108900 /nfs/dbraw/zinc/10/89/00/394108900.db2.gz VHUDOWORLHZCJH-QWHCGFSZSA-N 2 0 285.366 2.728 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000130511910 394113069 /nfs/dbraw/zinc/11/30/69/394113069.db2.gz IEMSBDYEMUBFIV-UHFFFAOYSA-N 2 0 298.862 2.675 20 0 CFADRP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000420317639 394117175 /nfs/dbraw/zinc/11/71/75/394117175.db2.gz NORYRZYDIVZGBO-HOTGVXAUSA-N 2 0 276.424 2.696 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3ncc[nH]3)CC2)CC1 ZINC000131055293 394124034 /nfs/dbraw/zinc/12/40/34/394124034.db2.gz MOMOZGKAVPZLTI-UHFFFAOYSA-N 2 0 276.428 2.542 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)[C@H]1C ZINC000420919624 394126512 /nfs/dbraw/zinc/12/65/12/394126512.db2.gz ZOVHIWMTGOWSIV-HOTGVXAUSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)[C@H]1C ZINC000420919623 394126519 /nfs/dbraw/zinc/12/65/19/394126519.db2.gz ZOVHIWMTGOWSIV-CVEARBPZSA-N 2 0 288.435 2.749 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCOC1 ZINC000359914030 394143079 /nfs/dbraw/zinc/14/30/79/394143079.db2.gz XFHXVBGFZKAXOZ-VQHPVUNQSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2COC3(CCCC3)O2)CC1 ZINC000360058107 394144323 /nfs/dbraw/zinc/14/43/23/394144323.db2.gz LFPFWYCLTVDGGD-HNNXBMFYSA-N 2 0 296.455 2.525 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132443343 394155766 /nfs/dbraw/zinc/15/57/66/394155766.db2.gz FMCMBYMYFPAESY-ROUUACIJSA-N 2 0 295.515 2.983 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000421372890 394206098 /nfs/dbraw/zinc/20/60/98/394206098.db2.gz NCIQDPIMEMJQOF-UHFFFAOYSA-N 2 0 272.396 2.525 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422809483 394256310 /nfs/dbraw/zinc/25/63/10/394256310.db2.gz PXMMEZQOWNUUMB-TVFCKZIOSA-N 2 0 288.435 2.932 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C1CCN(Cc2ccsc2)CC1 ZINC000364454159 394215999 /nfs/dbraw/zinc/21/59/99/394215999.db2.gz CVRAUGFPUXLDQS-CHWSQXEVSA-N 2 0 282.453 2.726 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](CO)c3ccccc32)CC1 ZINC000364455877 394216247 /nfs/dbraw/zinc/21/62/47/394216247.db2.gz PVYUUTVKIUQYRN-KBXCAEBGSA-N 2 0 288.435 2.671 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422809484 394256958 /nfs/dbraw/zinc/25/69/58/394256958.db2.gz PXMMEZQOWNUUMB-XDNAFOTISA-N 2 0 288.435 2.932 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCCC1 ZINC000449121613 394220334 /nfs/dbraw/zinc/22/03/34/394220334.db2.gz IHNMTRAVNBTLMN-KRWDZBQOSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449130954 394222868 /nfs/dbraw/zinc/22/28/68/394222868.db2.gz JDPGDGXXABUXMS-GOEBONIOSA-N 2 0 264.413 2.921 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000422900527 394257633 /nfs/dbraw/zinc/25/76/33/394257633.db2.gz JNLWMZZXROWXCC-DIECFANBSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422897347 394257962 /nfs/dbraw/zinc/25/79/62/394257962.db2.gz ZQRLMKHFLDESCG-NHHFINERSA-N 2 0 294.483 2.948 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000421821951 394243724 /nfs/dbraw/zinc/24/37/24/394243724.db2.gz VAGYVYFJESABAH-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(C)C ZINC000449181442 394244334 /nfs/dbraw/zinc/24/43/34/394244334.db2.gz HKWIJOYRBHJYRH-QLFBSQMISA-N 2 0 256.434 2.651 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421867805 394247560 /nfs/dbraw/zinc/24/75/60/394247560.db2.gz CJDAJGAKPQEZPO-KBXIAJHMSA-N 2 0 282.497 2.838 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422913158 394259313 /nfs/dbraw/zinc/25/93/13/394259313.db2.gz PBXSULPDZPAUHR-ZETOZRRWSA-N 2 0 282.815 2.614 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCC1 ZINC000449195898 394248649 /nfs/dbraw/zinc/24/86/49/394248649.db2.gz WVJLKOCLVVXRFX-YESZJQIVSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000449198597 394249477 /nfs/dbraw/zinc/24/94/77/394249477.db2.gz CIVMYJOKVXHXHQ-HLIUYOAVSA-N 2 0 264.413 2.921 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC3CCCC3)C2)CC1 ZINC000366951733 394249726 /nfs/dbraw/zinc/24/97/26/394249726.db2.gz JWZDVNBBMKPOLC-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000422699240 394253259 /nfs/dbraw/zinc/25/32/59/394253259.db2.gz CSUVBEGMLUDYOI-NSHDSACASA-N 2 0 264.800 2.569 20 0 CFADRP Cc1cc(N2CC[NH+](CCCCF)CC2)nc(C(C)C)n1 ZINC000286073905 394188020 /nfs/dbraw/zinc/18/80/20/394188020.db2.gz SMULTVUIUSHMRR-UHFFFAOYSA-N 2 0 294.418 2.780 20 0 CFADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423041872 394262281 /nfs/dbraw/zinc/26/22/81/394262281.db2.gz XZGXHMGBMCXSHD-OKZBNKHCSA-N 2 0 291.483 2.539 20 0 CFADRP CC(C)(CN[C@H]1C[C@H]([NH3+])c2ccccc21)C[NH+]1CCCC1 ZINC000423069094 394263417 /nfs/dbraw/zinc/26/34/17/394263417.db2.gz DDYIDGPAQFTLOD-IRXDYDNUSA-N 2 0 287.451 2.843 20 0 CFADRP CCOC1CC(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000423075195 394264598 /nfs/dbraw/zinc/26/45/98/394264598.db2.gz WFTGWFGIMUTQMU-AGERRDQYSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000423082089 394266144 /nfs/dbraw/zinc/26/61/44/394266144.db2.gz DWFGUGWIURCPQG-CVEARBPZSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423080743 394266232 /nfs/dbraw/zinc/26/62/32/394266232.db2.gz AIGRLQCWYZDDOQ-CVEARBPZSA-N 2 0 275.440 2.620 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423086729 394267713 /nfs/dbraw/zinc/26/77/13/394267713.db2.gz NUSRMAMJDFLTEZ-RBOXIYTFSA-N 2 0 262.372 2.659 20 0 CFADRP CSC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000423090360 394269658 /nfs/dbraw/zinc/26/96/58/394269658.db2.gz VGYJOEAKHOCOQT-DZGCQCFKSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423116185 394270089 /nfs/dbraw/zinc/27/00/89/394270089.db2.gz ZTWDTOAMTIGKCY-DYWXZXKOSA-N 2 0 272.392 2.630 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423140354 394271298 /nfs/dbraw/zinc/27/12/98/394271298.db2.gz XWLGSICKZJKRMG-HRCADAONSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1=CCCC1 ZINC000423158950 394272290 /nfs/dbraw/zinc/27/22/90/394272290.db2.gz DTKONDYLJWLIIX-YESZJQIVSA-N 2 0 292.467 2.870 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2([NH3+])CCCCC2)C[C@H]1OC ZINC000423181742 394272773 /nfs/dbraw/zinc/27/27/73/394272773.db2.gz PKJRECDLXVEBND-ZIAGYGMSSA-N 2 0 268.445 2.831 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCCCC1 ZINC000423176357 394272828 /nfs/dbraw/zinc/27/28/28/394272828.db2.gz GYMYTBOKXBXKAK-ARFHVFGLSA-N 2 0 280.456 2.833 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423253532 394274983 /nfs/dbraw/zinc/27/49/83/394274983.db2.gz WASMPDMBQXHZBN-WMLDXEAASA-N 2 0 258.409 2.962 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000423332908 394277618 /nfs/dbraw/zinc/27/76/18/394277618.db2.gz RLATUPUMKQIXGF-HNNXBMFYSA-N 2 0 264.388 2.864 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423366010 394278479 /nfs/dbraw/zinc/27/84/79/394278479.db2.gz LCRVOVKCRWMKKL-WDMOLILDSA-N 2 0 278.371 2.681 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423365940 394278929 /nfs/dbraw/zinc/27/89/29/394278929.db2.gz KYBKICKTIFQEBT-KKUMJFAQSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000423381279 394279729 /nfs/dbraw/zinc/27/97/29/394279729.db2.gz OIJXDDMRFBNMQL-YCPHGPKFSA-N 2 0 284.407 2.663 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000423391716 394280126 /nfs/dbraw/zinc/28/01/26/394280126.db2.gz POXLFLULJJZCGX-RULNRJAQSA-N 2 0 266.335 2.812 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423420625 394280573 /nfs/dbraw/zinc/28/05/73/394280573.db2.gz BQLBRKCEWVQMDS-KBAYOESNSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423453844 394282229 /nfs/dbraw/zinc/28/22/29/394282229.db2.gz KYYASOQUPIFVND-PVAVHDDUSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cn1 ZINC000423520908 394288937 /nfs/dbraw/zinc/28/89/37/394288937.db2.gz WQALMXHOSLGVMV-UMNHJUIQSA-N 2 0 253.777 2.513 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)CCC2 ZINC000423521201 394289031 /nfs/dbraw/zinc/28/90/31/394289031.db2.gz GAIJYYMJYJZTRM-ZDUSSCGKSA-N 2 0 258.409 2.968 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000153771013 394292282 /nfs/dbraw/zinc/29/22/82/394292282.db2.gz QUDDWFKRYAXFHO-INIZCTEOSA-N 2 0 278.440 2.922 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000153803846 394292697 /nfs/dbraw/zinc/29/26/97/394292697.db2.gz DIOZZTOSVRUIHV-DYVFJYSZSA-N 2 0 294.414 2.617 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423535605 394292963 /nfs/dbraw/zinc/29/29/63/394292963.db2.gz DNYYRFFWUHGXLC-VQIMIIECSA-N 2 0 299.462 2.549 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423541931 394294618 /nfs/dbraw/zinc/29/46/18/394294618.db2.gz AIEVWPHAWNQGST-CABCVRRESA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(F)c1F ZINC000423545132 394295488 /nfs/dbraw/zinc/29/54/88/394295488.db2.gz XQOXTHIINOWBEV-NSHDSACASA-N 2 0 266.335 2.925 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C12CCCCC2 ZINC000423545017 394295845 /nfs/dbraw/zinc/29/58/45/394295845.db2.gz DLIOTLFUQZANAB-JKSUJKDBSA-N 2 0 280.456 2.846 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccncc1 ZINC000423550011 394296587 /nfs/dbraw/zinc/29/65/87/394296587.db2.gz NOSMCWIFUMRIGC-JONQDZQNSA-N 2 0 259.397 2.510 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154374151 394297041 /nfs/dbraw/zinc/29/70/41/394297041.db2.gz XBNDAUDNYRNLPH-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000423556835 394297219 /nfs/dbraw/zinc/29/72/19/394297219.db2.gz ZGZHRIJSYQVONR-XDQVBPFNSA-N 2 0 262.397 2.881 20 0 CFADRP C([C@H]1CCCCO1)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371195995 394298621 /nfs/dbraw/zinc/29/86/21/394298621.db2.gz BBKSDARVPGPHDQ-DLBZAZTESA-N 2 0 280.456 2.753 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@H](C)C1 ZINC000450759956 394336202 /nfs/dbraw/zinc/33/62/02/394336202.db2.gz PZVXVHKWDYJMDL-KGLIPLIRSA-N 2 0 292.414 2.758 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000157948771 394352908 /nfs/dbraw/zinc/35/29/08/394352908.db2.gz OQXBRGPFMAOYAF-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000158170224 394355038 /nfs/dbraw/zinc/35/50/38/394355038.db2.gz XUKNZKYMCZRVTK-MSOLQXFVSA-N 3 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000158222862 394355980 /nfs/dbraw/zinc/35/59/80/394355980.db2.gz HQFYPOBSXGTKHX-KGLIPLIRSA-N 2 0 293.430 2.884 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000451094351 394357223 /nfs/dbraw/zinc/35/72/23/394357223.db2.gz PMAVIFPRRQTPGE-AEFFLSMTSA-N 2 0 293.499 2.665 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000453376709 394392114 /nfs/dbraw/zinc/39/21/14/394392114.db2.gz YTHDAVHYBQPLTO-CKEIUWERSA-N 2 0 278.415 2.995 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453375226 394392204 /nfs/dbraw/zinc/39/22/04/394392204.db2.gz IAAUHMBPFDYSMX-QLFBSQMISA-N 2 0 282.472 2.636 20 0 CFADRP Cc1cccc([C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158989144 394362651 /nfs/dbraw/zinc/36/26/51/394362651.db2.gz BIDFQYXGQZTNES-WMZOPIPTSA-N 2 0 290.451 2.738 20 0 CFADRP COCCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000163614395 394369162 /nfs/dbraw/zinc/36/91/62/394369162.db2.gz ULMHFYDUEXJOGB-KRWDZBQOSA-N 2 0 276.424 2.619 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC000165476730 394369463 /nfs/dbraw/zinc/36/94/63/394369463.db2.gz BFHAUNZMZVIXRH-OLZOCXBDSA-N 2 0 296.377 2.665 20 0 CFADRP CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000451273615 394372225 /nfs/dbraw/zinc/37/22/25/394372225.db2.gz VYLCWCHZSZQGDF-AEFFLSMTSA-N 2 0 299.418 2.774 20 0 CFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCC1 ZINC000453156899 394382083 /nfs/dbraw/zinc/38/20/83/394382083.db2.gz DTWULDDZEHXPHA-RCCFBDPRSA-N 2 0 294.483 2.923 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453252454 394382524 /nfs/dbraw/zinc/38/25/24/394382524.db2.gz MURUOCFVPVIAKR-BFHYXJOUSA-N 2 0 264.417 2.599 20 0 CFADRP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccn1 ZINC000527535071 394389040 /nfs/dbraw/zinc/38/90/40/394389040.db2.gz UVHMOYVYAOGCPH-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000453399826 394396973 /nfs/dbraw/zinc/39/69/73/394396973.db2.gz LRJYXLZGUOBIIZ-ZDUSSCGKSA-N 2 0 290.407 2.940 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@H](C)C1 ZINC000453408448 394398934 /nfs/dbraw/zinc/39/89/34/394398934.db2.gz GPXLQOFSUPTVRF-DGCLKSJQSA-N 2 0 260.372 2.742 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1CCF)C1CC1 ZINC000453411492 394399871 /nfs/dbraw/zinc/39/98/71/394399871.db2.gz VPBDYFWEWXIGLX-DZGCQCFKSA-N 2 0 256.409 2.979 20 0 CFADRP C[N@H+](CCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000453421015 394401437 /nfs/dbraw/zinc/40/14/37/394401437.db2.gz ZZRYWOFZLCFSKI-UHFFFAOYSA-N 3 0 281.488 2.713 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2CCOCC2)C1 ZINC000685455701 542916334 /nfs/dbraw/zinc/91/63/34/542916334.db2.gz NASJFZHPMDZPCM-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)CC1 ZINC000685463152 542919462 /nfs/dbraw/zinc/91/94/62/542919462.db2.gz SRDWGPAIBNUDIL-MRXNPFEDSA-N 2 0 298.434 2.727 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC(F)(F)C1 ZINC000529553974 394409402 /nfs/dbraw/zinc/40/94/02/394409402.db2.gz KRMKVECFEYUYKO-NSHDSACASA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000528004590 394437970 /nfs/dbraw/zinc/43/79/70/394437970.db2.gz QZMLHUHOAJLLIO-RMRHIDDWSA-N 2 0 268.445 2.651 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC12CC2 ZINC000527845203 394415897 /nfs/dbraw/zinc/41/58/97/394415897.db2.gz DAGQXAYVLAFOST-RHSMWYFYSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527860023 394417835 /nfs/dbraw/zinc/41/78/35/394417835.db2.gz TZXMUHDNOBNSGE-KKUMJFAQSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527922781 394426387 /nfs/dbraw/zinc/42/63/87/394426387.db2.gz BESDNRZYMIFBBJ-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527949555 394430593 /nfs/dbraw/zinc/43/05/93/394430593.db2.gz OBUQZOIOIBNWQL-GOSISDBHSA-N 2 0 293.499 2.857 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218351 394485846 /nfs/dbraw/zinc/48/58/46/394485846.db2.gz VYEPMIXUKNVWNF-OIISXLGYSA-N 2 0 285.435 2.982 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000530221833 394488260 /nfs/dbraw/zinc/48/82/60/394488260.db2.gz YODHMTIOPTWQQD-FMKPAKJESA-N 2 0 259.397 2.782 20 0 CFADRP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000530232408 394492730 /nfs/dbraw/zinc/49/27/30/394492730.db2.gz OVOSXSUASZRELE-FZMZJTMJSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530244141 394495053 /nfs/dbraw/zinc/49/50/53/394495053.db2.gz YWFCSUIFJQGHEL-GOSISDBHSA-N 2 0 288.435 2.586 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000536873211 394574208 /nfs/dbraw/zinc/57/42/08/394574208.db2.gz XLUSRJOASKFTCM-IAQYHMDHSA-N 2 0 284.806 2.951 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000537939731 394594990 /nfs/dbraw/zinc/59/49/90/394594990.db2.gz BYDRDIQTWHISQA-NGLXHFHWSA-N 2 0 276.468 2.989 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536263551 394554478 /nfs/dbraw/zinc/55/44/78/394554478.db2.gz LVWVMOXCHKXQIO-UKRRQHHQSA-N 2 0 255.365 2.971 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000541236607 394667870 /nfs/dbraw/zinc/66/78/70/394667870.db2.gz SCHDWYDAEBUXKL-AWEZNQCLSA-N 2 0 296.480 2.722 20 0 CFADRP Cc1cccnc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000540066655 394642226 /nfs/dbraw/zinc/64/22/26/394642226.db2.gz ILQQEXUQMNRNSY-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)Cc1ccccc1 ZINC000543446793 394730143 /nfs/dbraw/zinc/73/01/43/394730143.db2.gz LQYYUYKBFQSYEW-RLFYNMQTSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@H](NCc1ccc(CO)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905582 394690833 /nfs/dbraw/zinc/69/08/33/394690833.db2.gz XAZUXXHBDKJUGQ-UONOGXRCSA-N 2 0 292.423 2.515 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)Cc2ccsc2)C1 ZINC000542163535 394697338 /nfs/dbraw/zinc/69/73/38/394697338.db2.gz OIVJNNKNYXFYGW-UKRRQHHQSA-N 2 0 266.454 2.953 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000546600978 394831175 /nfs/dbraw/zinc/83/11/75/394831175.db2.gz AHOUQPPHPVRQJW-JKSUJKDBSA-N 2 0 272.436 2.675 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000547357221 394861593 /nfs/dbraw/zinc/86/15/93/394861593.db2.gz XZGOFOKXGSBPDK-SNVBAGLBSA-N 2 0 264.335 2.791 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccnn1-c1ccccc1 ZINC000281120526 542943314 /nfs/dbraw/zinc/94/33/14/542943314.db2.gz DEQHPTIAMMIODD-OAHLLOKOSA-N 2 0 286.423 2.865 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826198 394893953 /nfs/dbraw/zinc/89/39/53/394893953.db2.gz XLHGIOGRCLHVSH-HLLBOEOZSA-N 2 0 276.424 2.522 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2ccccc2CC1 ZINC000531867852 542962245 /nfs/dbraw/zinc/96/22/45/542962245.db2.gz CCEPQAHIUGIOJM-SFHVURJKSA-N 2 0 272.436 2.962 20 0 CFADRP Fc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166557657 542965995 /nfs/dbraw/zinc/96/59/95/542965995.db2.gz CGBNFKFEACAYBV-IAGOWNOFSA-N 2 0 276.399 2.975 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000166691988 542966250 /nfs/dbraw/zinc/96/62/50/542966250.db2.gz GTNVYEGBUAZMGJ-OAGGEKHMSA-N 2 0 259.397 2.749 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CN1C1CC1 ZINC000556726650 395011189 /nfs/dbraw/zinc/01/11/89/395011189.db2.gz BORLYRQKNIVBJN-CXAGYDPISA-N 2 0 270.420 2.616 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000556952921 395026696 /nfs/dbraw/zinc/02/66/96/395026696.db2.gz ZAEVAPYJOLFBKV-MRXNPFEDSA-N 2 0 276.424 2.953 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@@H]3CCC[C@H](C)C3)[C@H]2C1 ZINC000555592959 394977597 /nfs/dbraw/zinc/97/75/97/394977597.db2.gz LPWGXJCHBPTUSD-VVLHAWIVSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3(C)CC3)CC2)C[C@H](C)O1 ZINC000555595036 394977631 /nfs/dbraw/zinc/97/76/31/394977631.db2.gz BFNYGVOIRVCGFG-IYBDPMFKSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C[C@H](C)O1 ZINC000558698473 395072206 /nfs/dbraw/zinc/07/22/06/395072206.db2.gz ALELRHJIDHNOMP-NNXHMXCWSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000558711875 395073313 /nfs/dbraw/zinc/07/33/13/395073313.db2.gz NHJZUKGROJJKAK-HOCLYGCPSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000557171583 395032376 /nfs/dbraw/zinc/03/23/76/395032376.db2.gz VLWNVQXKXYCBQZ-XJKSGUPXSA-N 2 0 297.402 2.605 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648438463 395143031 /nfs/dbraw/zinc/14/30/31/395143031.db2.gz MSTIMEVTRDCVIO-UHFFFAOYSA-N 2 0 281.787 2.913 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)CCO1 ZINC000648461121 395153385 /nfs/dbraw/zinc/15/33/85/395153385.db2.gz OANUOBIRQPZYNU-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000647129827 395167673 /nfs/dbraw/zinc/16/76/73/395167673.db2.gz BYUOOSGRYUVEJW-KGLIPLIRSA-N 2 0 288.395 2.748 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000180043637 543010804 /nfs/dbraw/zinc/01/08/04/543010804.db2.gz MLQGLNSMUBKLJI-LBPRGKRZSA-N 2 0 272.396 2.631 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648494701 395173555 /nfs/dbraw/zinc/17/35/55/395173555.db2.gz YBRWQQGVIKOSQE-UHFFFAOYSA-N 2 0 291.782 2.833 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174666 395200641 /nfs/dbraw/zinc/20/06/41/395200641.db2.gz INEDBSMTXYYIRG-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648590340 395209207 /nfs/dbraw/zinc/20/92/07/395209207.db2.gz TVNOWOCUJIDFOF-ILXRZTDVSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647308337 395283465 /nfs/dbraw/zinc/28/34/65/395283465.db2.gz OBZWZATUWAZXFL-HUUCEWRRSA-N 2 0 290.455 2.602 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294261925 285632079 /nfs/dbraw/zinc/63/20/79/285632079.db2.gz QYMQFRKRIVLMFI-DLBZAZTESA-N 2 0 289.423 2.598 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000647342595 395305120 /nfs/dbraw/zinc/30/51/20/395305120.db2.gz SZOORGGRLXDDPF-XQLPTFJDSA-N 2 0 268.445 2.652 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343951 395306291 /nfs/dbraw/zinc/30/62/91/395306291.db2.gz GILUYSHHHKVBRV-NXHRZFHOSA-N 2 0 290.451 2.737 20 0 CFADRP C[C@@H]([NH2+]CC1CCC(F)CC1)C1CC[NH+](C)CC1 ZINC000647349236 395309157 /nfs/dbraw/zinc/30/91/57/395309157.db2.gz FYIQVFRMRKCJJD-DNOWBOINSA-N 2 0 256.409 2.835 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647288037 395271937 /nfs/dbraw/zinc/27/19/37/395271937.db2.gz DWNPYBCKINLZOB-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP c1cc2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)ccc2cn1 ZINC000647482440 395355155 /nfs/dbraw/zinc/35/51/55/395355155.db2.gz FVXHATKUZIUMMJ-UHFFFAOYSA-N 2 0 281.403 2.951 20 0 CFADRP c1ccc(CN(CC[C@@H]2CCOC2)[C@H]2CCC[NH2+]C2)cc1 ZINC000647493794 395358542 /nfs/dbraw/zinc/35/85/42/395358542.db2.gz QMEQOOMTQNJEAE-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647496745 395360373 /nfs/dbraw/zinc/36/03/73/395360373.db2.gz MPJOETGYIZVKQB-ZFWWWQNUSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[C@H]1[NH3+] ZINC000647498581 395362507 /nfs/dbraw/zinc/36/25/07/395362507.db2.gz KSQBQPAOFDVGQM-RHSMWYFYSA-N 2 0 298.434 2.944 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498923 395364281 /nfs/dbraw/zinc/36/42/81/395364281.db2.gz UDHIOMNLRIUJTO-YOEHRIQHSA-N 2 0 298.434 2.646 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000647503367 395366146 /nfs/dbraw/zinc/36/61/46/395366146.db2.gz RCESFEVFRFXXKE-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000647518618 395372514 /nfs/dbraw/zinc/37/25/14/395372514.db2.gz SMAWVQXBYGFISL-ZYHUDNBSSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000647518588 395372624 /nfs/dbraw/zinc/37/26/24/395372624.db2.gz SMAWVQXBYGFISL-CMPLNLGQSA-N 2 0 264.335 2.649 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000647531218 395376312 /nfs/dbraw/zinc/37/63/12/395376312.db2.gz HQNRQEVFFBHNAG-UHFFFAOYSA-N 2 0 255.365 2.548 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000647535830 395381178 /nfs/dbraw/zinc/38/11/78/395381178.db2.gz WTDXYFACIBMZCI-LBPRGKRZSA-N 2 0 279.453 2.583 20 0 CFADRP Brc1cccc2c1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000647538483 395382165 /nfs/dbraw/zinc/38/21/65/395382165.db2.gz UKIKRUNRQKTBGV-UHFFFAOYSA-N 2 0 295.224 2.764 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000647541539 395383444 /nfs/dbraw/zinc/38/34/44/395383444.db2.gz ZBNPMFODLBANHI-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543735 395385568 /nfs/dbraw/zinc/38/55/68/395385568.db2.gz RMXFLUHQUOJXOA-HUUCEWRRSA-N 2 0 264.438 2.960 20 0 CFADRP CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543628 395386103 /nfs/dbraw/zinc/38/61/03/395386103.db2.gz QLOFFQYCYUTSQR-SJORKVTESA-N 2 0 290.455 2.505 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647546473 395387082 /nfs/dbraw/zinc/38/70/82/395387082.db2.gz LXXINDHIKXBHJV-ZMSDIMECSA-N 2 0 273.424 2.596 20 0 CFADRP Cc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C[NH+](C)C)c1 ZINC000647548153 395387377 /nfs/dbraw/zinc/38/73/77/395387377.db2.gz WVMBVQNUXAWEBI-BFYDXBDKSA-N 2 0 287.451 2.857 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CNC[C@@H](C)C3)CC2)CC1 ZINC000647550886 395389362 /nfs/dbraw/zinc/38/93/62/395389362.db2.gz MXAGSMJGEFALNN-PBHCIXSXSA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647550374 395389513 /nfs/dbraw/zinc/38/95/13/395389513.db2.gz NLKIMIFWOBUBPD-MZBWOGCUSA-N 2 0 294.483 2.805 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C ZINC000647550568 395389640 /nfs/dbraw/zinc/38/96/40/395389640.db2.gz YOHHTPBHGNYBFK-YESZJQIVSA-N 2 0 288.435 2.524 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1OC(C)C ZINC000647552768 395391883 /nfs/dbraw/zinc/39/18/83/395391883.db2.gz VRCGTYKPHXPMHW-OLZOCXBDSA-N 2 0 280.412 2.698 20 0 CFADRP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879882 395449780 /nfs/dbraw/zinc/44/97/80/395449780.db2.gz SYBJXPQXLWGSQT-WCQYABFASA-N 2 0 250.411 2.667 20 0 CFADRP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000647877544 395449997 /nfs/dbraw/zinc/44/99/97/395449997.db2.gz URKMEWCOZJAHMZ-AWEZNQCLSA-N 2 0 250.361 2.646 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000647880936 395450783 /nfs/dbraw/zinc/45/07/83/395450783.db2.gz HLGYMVQPZJDHNR-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP c1cncc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647987992 395473518 /nfs/dbraw/zinc/47/35/18/395473518.db2.gz CHUNOZRGTRMMNI-KRWDZBQOSA-N 2 0 273.424 2.998 20 0 CFADRP CC(C)COC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647881116 395450837 /nfs/dbraw/zinc/45/08/37/395450837.db2.gz BELRFGXRNWZGCS-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP Oc1ccc2c(c1)CC[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647882970 395451574 /nfs/dbraw/zinc/45/15/74/395451574.db2.gz VBDUGLYJJLQJGT-UHFFFAOYSA-N 2 0 288.435 2.573 20 0 CFADRP COCCCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647882164 395451731 /nfs/dbraw/zinc/45/17/31/395451731.db2.gz RASWMOAERRHHJO-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647889354 395453493 /nfs/dbraw/zinc/45/34/93/395453493.db2.gz JKUBBDMFHOMJSB-PVAVHDDUSA-N 2 0 258.409 2.549 20 0 CFADRP CC1([NH3+])CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000647924662 395458812 /nfs/dbraw/zinc/45/88/12/395458812.db2.gz AUJNTBKZNCEIEN-UHFFFAOYSA-N 2 0 286.778 2.671 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647990765 395474017 /nfs/dbraw/zinc/47/40/17/395474017.db2.gz DUTIRLATTOOGMT-MRXNPFEDSA-N 2 0 290.455 2.943 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000647934598 395461147 /nfs/dbraw/zinc/46/11/47/395461147.db2.gz KBPRDAXYQXWWLG-HOCLYGCPSA-N 2 0 264.388 2.818 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000647936828 395461512 /nfs/dbraw/zinc/46/15/12/395461512.db2.gz LZHWGVNHXIOPQS-HFBAOOFYSA-N 2 0 262.372 2.872 20 0 CFADRP [NH3+]CCC[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647944117 395463079 /nfs/dbraw/zinc/46/30/79/395463079.db2.gz OBHWNTHDHNZJIA-UHFFFAOYSA-N 3 0 289.467 2.617 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC000647956603 395464825 /nfs/dbraw/zinc/46/48/25/395464825.db2.gz PNISFJBPBWFGTO-IRXDYDNUSA-N 2 0 274.383 2.889 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC000647956602 395464919 /nfs/dbraw/zinc/46/49/19/395464919.db2.gz PNISFJBPBWFGTO-IAGOWNOFSA-N 2 0 274.383 2.889 20 0 CFADRP c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)oc1C1CC1 ZINC000647977838 395471816 /nfs/dbraw/zinc/47/18/16/395471816.db2.gz IRQWWEHGOKGTAF-HUUCEWRRSA-N 2 0 289.423 2.764 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786692 395427984 /nfs/dbraw/zinc/42/79/84/395427984.db2.gz WILNKDGZCRBZJR-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000647784448 395428167 /nfs/dbraw/zinc/42/81/67/395428167.db2.gz UKLSCKDNVVPHNJ-ZDEQEGDKSA-N 2 0 279.453 2.744 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786498 395428192 /nfs/dbraw/zinc/42/81/92/395428192.db2.gz QVXAOKHCEOQRPQ-CWRNSKLLSA-N 2 0 274.408 2.563 20 0 CFADRP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C[C@H]2C1 ZINC000647787877 395428678 /nfs/dbraw/zinc/42/86/78/395428678.db2.gz AOAWUTVLZIAEGC-ZBURPKILSA-N 2 0 262.441 2.933 20 0 CFADRP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C[C@@H]2C1 ZINC000647787876 395428823 /nfs/dbraw/zinc/42/88/23/395428823.db2.gz AOAWUTVLZIAEGC-IZKTWJBDSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647788852 395428931 /nfs/dbraw/zinc/42/89/31/395428931.db2.gz SPQKRNPALMNPLT-WCXIOVBPSA-N 2 0 288.435 2.740 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647791547 395429899 /nfs/dbraw/zinc/42/98/99/395429899.db2.gz HAYVAKPDANJBKY-SQWLQELKSA-N 2 0 286.419 2.662 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791433 395429913 /nfs/dbraw/zinc/42/99/13/395429913.db2.gz CWMYQDZYCOAVMD-QMCVQRASSA-N 2 0 288.435 2.604 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790428 395429993 /nfs/dbraw/zinc/42/99/93/395429993.db2.gz YICKQVZRUWCLPJ-GVDBMIGSSA-N 2 0 288.435 2.953 20 0 CFADRP Cc1csc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCC2)n1 ZINC000647792086 395430591 /nfs/dbraw/zinc/43/05/91/395430591.db2.gz SOUXKHOTGHVFQX-MELADBBJSA-N 2 0 291.464 2.808 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793768 395431370 /nfs/dbraw/zinc/43/13/70/395431370.db2.gz HRQGLRWIDGTUDM-MGPQQGTHSA-N 2 0 264.438 2.577 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795843 395431885 /nfs/dbraw/zinc/43/18/85/395431885.db2.gz YCPYHBBPPHNKAV-VHRBIJSZSA-N 2 0 282.790 2.957 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795909 395432051 /nfs/dbraw/zinc/43/20/51/395432051.db2.gz ZJIMTXGQSJXNSJ-LOWDOPEQSA-N 2 0 278.362 2.941 20 0 CFADRP c1ccc(CC2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647795066 395432229 /nfs/dbraw/zinc/43/22/29/395432229.db2.gz IVOXWKYPAYXQRA-GVDBMIGSSA-N 2 0 270.420 2.739 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647798297 395432511 /nfs/dbraw/zinc/43/25/11/395432511.db2.gz PBCQIULUFSLWHT-RZFLPCETSA-N 2 0 270.420 2.768 20 0 CFADRP Fc1ccc(CC2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647798899 395433526 /nfs/dbraw/zinc/43/35/26/395433526.db2.gz YXCLULLOJAAZGK-HLLBOEOZSA-N 2 0 288.410 2.879 20 0 CFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647801141 395434628 /nfs/dbraw/zinc/43/46/28/395434628.db2.gz PBCQIULUFSLWHT-YYWYGQEZSA-N 2 0 270.420 2.768 20 0 CFADRP Cc1ccccc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647801408 395434785 /nfs/dbraw/zinc/43/47/85/395434785.db2.gz UZCQRUYZTRQDSR-BZUAXINKSA-N 2 0 270.420 2.962 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000647801642 395434950 /nfs/dbraw/zinc/43/49/50/395434950.db2.gz ZZNSNQSJHCLBPF-UHFFFAOYSA-N 2 0 298.333 2.615 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647802827 395436199 /nfs/dbraw/zinc/43/61/99/395436199.db2.gz VGHDFPVJZNBLKF-VXGBXAGGSA-N 2 0 250.361 2.920 20 0 CFADRP C[N@H+](CCC[NH3+])CCOc1cc(Cl)ccc1Cl ZINC000647848921 395444915 /nfs/dbraw/zinc/44/49/15/395444915.db2.gz AANRMNKFNJCTKT-UHFFFAOYSA-N 2 0 277.195 2.653 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036997075 543025547 /nfs/dbraw/zinc/02/55/47/543025547.db2.gz BULIECZHJDYNJY-JCGIZDLHSA-N 2 0 288.435 2.843 20 0 CFADRP c1ccc2oc([C@H]3CCC[N@@H+](C[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411603 395489412 /nfs/dbraw/zinc/48/94/12/395489412.db2.gz KCUSOYKBQRBEDW-KBPBESRZSA-N 2 0 285.391 2.617 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411914 395489438 /nfs/dbraw/zinc/48/94/38/395489438.db2.gz TZAJGVBKVLLYPH-UHFFFAOYSA-N 3 0 295.515 2.818 20 0 CFADRP CN(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000649415208 395489854 /nfs/dbraw/zinc/48/98/54/395489854.db2.gz PNJHNPOIVQXJER-AEFFLSMTSA-N 2 0 287.451 2.587 20 0 CFADRP CN(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000649415209 395490125 /nfs/dbraw/zinc/49/01/25/395490125.db2.gz PNJHNPOIVQXJER-FUHWJXTLSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068431 395495982 /nfs/dbraw/zinc/49/59/82/395495982.db2.gz YEUBHNGELYXMPC-SVGFKBNWSA-N 2 0 258.409 2.577 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068307 395496112 /nfs/dbraw/zinc/49/61/12/395496112.db2.gz PNQJLMVUGFIIRR-SIXLDLHFSA-N 2 0 290.476 2.673 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H](C)COC)C1CCCCC1 ZINC000650131567 395612768 /nfs/dbraw/zinc/61/27/68/395612768.db2.gz SDFWYBUTBLPZFL-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221715 543027681 /nfs/dbraw/zinc/02/76/81/543027681.db2.gz PBYVRPUUEVTIJV-RHSMWYFYSA-N 2 0 283.504 2.673 20 0 CFADRP FC1(F)C[C@@]12CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000649908151 395590073 /nfs/dbraw/zinc/59/00/73/395590073.db2.gz IGDYZKNLQOSUTJ-CYBMUJFWSA-N 2 0 258.356 2.594 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000037565255 543030294 /nfs/dbraw/zinc/03/02/94/543030294.db2.gz YJWTYIMNMVYHCO-OAHLLOKOSA-N 2 0 258.409 2.789 20 0 CFADRP COCc1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037762778 543030627 /nfs/dbraw/zinc/03/06/27/543030627.db2.gz WXEADNDKXPBRJZ-CQSZACIVSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCOCc1ccccc1)C2 ZINC000309907851 413081515 /nfs/dbraw/zinc/08/15/15/413081515.db2.gz KXWZBGXLEQFTFS-ROUUACIJSA-N 2 0 288.435 2.654 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000042895908 543063988 /nfs/dbraw/zinc/06/39/88/543063988.db2.gz GDCPSHUAFMVWCD-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)C(C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)C ZINC000380318844 543073194 /nfs/dbraw/zinc/07/31/94/543073194.db2.gz YMJPLPPMCFBHNO-UHFFFAOYSA-N 2 0 283.504 2.530 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400999537 413160075 /nfs/dbraw/zinc/16/00/75/413160075.db2.gz LXFDFHNOJVRWIH-KCQAQPDRSA-N 2 0 264.800 2.818 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401038237 413159426 /nfs/dbraw/zinc/15/94/26/413159426.db2.gz SGZBTIJNIQGFEB-OLMNGRFOSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401025975 413159699 /nfs/dbraw/zinc/15/96/99/413159699.db2.gz UJWZDXHMMHIWRN-YRGRVCCFSA-N 2 0 250.411 2.534 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917688 397550838 /nfs/dbraw/zinc/55/08/38/397550838.db2.gz KUCWLLPJXHMZDT-WMZOPIPTSA-N 2 0 288.435 2.920 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000042427632 397559320 /nfs/dbraw/zinc/55/93/20/397559320.db2.gz JNNFYMWFZGDXKK-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP COCC1(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000388760049 397538368 /nfs/dbraw/zinc/53/83/68/397538368.db2.gz NNEBRQQIPBBSNR-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000127560549 397602218 /nfs/dbraw/zinc/60/22/18/397602218.db2.gz QIZCILFYOUCYRY-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)CCO1 ZINC000356960771 397659466 /nfs/dbraw/zinc/65/94/66/397659466.db2.gz DAVDMUOVVOSZNK-YESZJQIVSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000402627610 413173630 /nfs/dbraw/zinc/17/36/30/413173630.db2.gz XDHOLWQWGYTCEV-WUHRBBMRSA-N 2 0 278.362 2.943 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000650757442 397885096 /nfs/dbraw/zinc/88/50/96/397885096.db2.gz XGLKGJUZVPZYDT-BRWVUGGUSA-N 2 0 288.435 2.699 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000650758093 397885615 /nfs/dbraw/zinc/88/56/15/397885615.db2.gz ISQYGCMYFFBXLX-ZDUSSCGKSA-N 2 0 255.365 2.652 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)CC[N@@H+]1C ZINC000650760630 397886185 /nfs/dbraw/zinc/88/61/85/397886185.db2.gz JBQCLSJIURVXQA-DJIMGWMZSA-N 2 0 287.451 2.876 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C12CCCC2 ZINC000650762501 397887092 /nfs/dbraw/zinc/88/70/92/397887092.db2.gz CEALEKFFJVOKEO-CVEARBPZSA-N 2 0 280.456 2.704 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000650704506 397860611 /nfs/dbraw/zinc/86/06/11/397860611.db2.gz CWVPMESTQORWNA-INIZCTEOSA-N 2 0 290.451 2.566 20 0 CFADRP CC[C@H]1CCC[C@@H](C[NH+]2CCC([NH2+]CCOC)CC2)C1 ZINC000650704773 397860916 /nfs/dbraw/zinc/86/09/16/397860916.db2.gz ZQMJBMKYGGVXHD-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707878 397861966 /nfs/dbraw/zinc/86/19/66/397861966.db2.gz OSGNZUILGKBZRH-HRCADAONSA-N 2 0 268.445 2.641 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763276 397887887 /nfs/dbraw/zinc/88/78/87/397887887.db2.gz WJGMZZJVSZKQKO-YOEHRIQHSA-N 2 0 276.424 2.742 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1scnc1C1CC1)C2 ZINC000650709966 397863246 /nfs/dbraw/zinc/86/32/46/397863246.db2.gz ZLFDOCWPNYEJLB-WFASDCNBSA-N 2 0 277.437 2.581 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763427 397887948 /nfs/dbraw/zinc/88/79/48/397887948.db2.gz ZYPPKPWSFRLNHC-MRXNPFEDSA-N 2 0 280.362 2.931 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)[C@H]1CC[NH3+] ZINC000650711604 397863927 /nfs/dbraw/zinc/86/39/27/397863927.db2.gz YNZSLQMVKGFXDB-QAPCUYQASA-N 2 0 298.434 2.822 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713306 397865129 /nfs/dbraw/zinc/86/51/29/397865129.db2.gz NOOUFICFJDYBRD-RDJZCZTQSA-N 2 0 293.499 2.748 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714010 397865780 /nfs/dbraw/zinc/86/57/80/397865780.db2.gz MTEIVMMTIVCUGH-JTQLQIEISA-N 2 0 252.324 2.826 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650764172 397888469 /nfs/dbraw/zinc/88/84/69/397888469.db2.gz RMMKMQWAWJSIME-MRXNPFEDSA-N 2 0 278.827 2.787 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(OC)c1 ZINC000650763991 397888521 /nfs/dbraw/zinc/88/85/21/397888521.db2.gz NRKMFZVHMLVZFU-ZDUSSCGKSA-N 2 0 292.423 2.744 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2F)C1 ZINC000650721790 397870418 /nfs/dbraw/zinc/87/04/18/397870418.db2.gz BMHRVAVITKEQAY-DJIMGWMZSA-N 2 0 292.398 2.687 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722504 397871688 /nfs/dbraw/zinc/87/16/88/397871688.db2.gz VVPJUQZAHJSGIP-KSZLIROESA-N 2 0 288.435 2.856 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650764403 397888639 /nfs/dbraw/zinc/88/86/39/397888639.db2.gz XQDICUALJYWQSD-QGZVFWFLSA-N 2 0 258.409 2.523 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763572 397888649 /nfs/dbraw/zinc/88/86/49/397888649.db2.gz DNZZWNLERWJJQL-MRXNPFEDSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000650764236 397888675 /nfs/dbraw/zinc/88/86/75/397888675.db2.gz UBAGIQNETJYHBA-CYBMUJFWSA-N 2 0 292.423 2.744 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000650764363 397888677 /nfs/dbraw/zinc/88/86/77/397888677.db2.gz WTKCNOSBHMDSNK-ZDUSSCGKSA-N 2 0 293.430 2.932 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763807 397888679 /nfs/dbraw/zinc/88/86/79/397888679.db2.gz JZJMXNYSZAUSMM-INIZCTEOSA-N 2 0 262.372 2.792 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000650740788 397874843 /nfs/dbraw/zinc/87/48/43/397874843.db2.gz RHAWHLROGMFWSO-SJLPKXTDSA-N 2 0 291.483 2.512 20 0 CFADRP CC[C@H](OCC[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000650741372 397875232 /nfs/dbraw/zinc/87/52/32/397875232.db2.gz CHGAADGCYONQBL-LZWOXQAQSA-N 2 0 264.413 2.870 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000650741583 397875814 /nfs/dbraw/zinc/87/58/14/397875814.db2.gz GUVRRJZQAQBWFL-BSWAZPDLSA-N 2 0 258.409 2.829 20 0 CFADRP CC[N@H+](CCCN[C@H](C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000650741956 397876601 /nfs/dbraw/zinc/87/66/01/397876601.db2.gz OMKBKWUANLSUEK-LSDHHAIUSA-N 2 0 269.477 2.747 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000650742480 397876804 /nfs/dbraw/zinc/87/68/04/397876804.db2.gz YSJMGNHUUPGCTM-ONMISFSYSA-N 2 0 270.420 2.829 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)OCCCO2 ZINC000650744881 397878062 /nfs/dbraw/zinc/87/80/62/397878062.db2.gz XMDUDSVNJIRORY-CYBMUJFWSA-N 2 0 290.407 2.628 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744059 397878297 /nfs/dbraw/zinc/87/82/97/397878297.db2.gz FHQUHVUQPFBLOE-UONOGXRCSA-N 2 0 276.424 2.906 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000650745404 397878907 /nfs/dbraw/zinc/87/89/07/397878907.db2.gz GFWYSSJKTVHJAT-NVXWUHKLSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1nc2c(s1)CCCC2 ZINC000650746150 397879416 /nfs/dbraw/zinc/87/94/16/397879416.db2.gz XGMCMEWEBUOIEF-NSHDSACASA-N 2 0 279.453 2.802 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCS2 ZINC000650746835 397879604 /nfs/dbraw/zinc/87/96/04/397879604.db2.gz MDTKEKBPRDUFED-CQSZACIVSA-N 2 0 292.448 2.951 20 0 CFADRP [NH3+]CC1(CC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000650746385 397879732 /nfs/dbraw/zinc/87/97/32/397879732.db2.gz AWJVTGGXYUSTHY-UHFFFAOYSA-N 2 0 258.409 2.653 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745993 397879757 /nfs/dbraw/zinc/87/97/57/397879757.db2.gz SXAZWTZMXGQEDB-KGLIPLIRSA-N 2 0 268.445 2.545 20 0 CFADRP COC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000650746662 397879760 /nfs/dbraw/zinc/87/97/60/397879760.db2.gz IAPJGLXGOXGJHW-CQSZACIVSA-N 2 0 282.815 2.746 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1Cl ZINC000650747333 397880438 /nfs/dbraw/zinc/88/04/38/397880438.db2.gz XNTCBWZOPQCGBY-JTQLQIEISA-N 2 0 283.803 2.523 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(-c2ccccc2)nn1C ZINC000650748390 397880882 /nfs/dbraw/zinc/88/08/82/397880882.db2.gz SYOMHONDYUTBNM-CQSZACIVSA-N 2 0 298.434 2.867 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccnc1 ZINC000650753355 397882779 /nfs/dbraw/zinc/88/27/79/397882779.db2.gz LMJCKEBFNYYOFK-LLVKDONJSA-N 2 0 259.328 2.530 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@@H]2CCCO[C@@H]21 ZINC000650754811 397883642 /nfs/dbraw/zinc/88/36/42/397883642.db2.gz RSZDHBQWKDTNIT-IMJJTQAJSA-N 2 0 292.398 2.578 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000650756453 397884638 /nfs/dbraw/zinc/88/46/38/397884638.db2.gz BDDJYMKTGYCSAW-PBHICJAKSA-N 2 0 276.424 2.701 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]C1 ZINC000262006780 289164919 /nfs/dbraw/zinc/16/49/19/289164919.db2.gz LVXPJYIXTGTWCA-DGCLKSJQSA-N 2 0 278.362 2.896 20 0 CFADRP COC1([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CCCC1 ZINC000421833910 292145086 /nfs/dbraw/zinc/14/50/86/292145086.db2.gz BJOLBBNUKSQLAS-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(OC)c1 ZINC000404283229 413193600 /nfs/dbraw/zinc/19/36/00/413193600.db2.gz QTEXMKSTSFBBRN-BBRMVZONSA-N 2 0 292.423 2.653 20 0 CFADRP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000421819818 292149491 /nfs/dbraw/zinc/14/94/91/292149491.db2.gz JDSIUNJUXJBQIF-HRCADAONSA-N 2 0 280.456 2.941 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc(OC)c1 ZINC000404298698 413198859 /nfs/dbraw/zinc/19/88/59/413198859.db2.gz YJHLJVRNFVTQBV-GUYCJALGSA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404370222 413201254 /nfs/dbraw/zinc/20/12/54/413201254.db2.gz IPWDEDBHEJNYPF-ZFWWWQNUSA-N 2 0 262.397 2.645 20 0 CFADRP CN1CC[NH+](CC2(C)CC[NH+](CCC3CCC3)CC2)CC1 ZINC000660276176 413211912 /nfs/dbraw/zinc/21/19/12/413211912.db2.gz OIZSQCVVPSDICF-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000336815309 286009221 /nfs/dbraw/zinc/00/92/21/286009221.db2.gz HMVNHYSXJBRVGF-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000246824586 286013615 /nfs/dbraw/zinc/01/36/15/286013615.db2.gz BJBCQNGHXMWKIR-XOSAIJSUSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCc2ccccc21 ZINC000404864768 413219784 /nfs/dbraw/zinc/21/97/84/413219784.db2.gz AVMYAWURFAWFID-PBHICJAKSA-N 2 0 258.409 2.648 20 0 CFADRP Cc1cccnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782277 413219987 /nfs/dbraw/zinc/21/99/87/413219987.db2.gz DLKJMETYOAKLQS-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465313 413221408 /nfs/dbraw/zinc/22/14/08/413221408.db2.gz JIAIMYMXJJXGCV-ZFWWWQNUSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000663465560 413221458 /nfs/dbraw/zinc/22/14/58/413221458.db2.gz KMGRVRGHQYOGKF-FUHWJXTLSA-N 2 0 294.483 2.903 20 0 CFADRP Oc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786445 413224638 /nfs/dbraw/zinc/22/46/38/413224638.db2.gz SVUQDTQYAFVKJO-INIZCTEOSA-N 2 0 274.408 2.604 20 0 CFADRP CN(CC(C)(C)[NH3+])CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000656784193 413224909 /nfs/dbraw/zinc/22/49/09/413224909.db2.gz ZODSGVRQWBPAJB-UHFFFAOYSA-N 2 0 291.483 2.814 20 0 CFADRP C(C1CCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784523 413226621 /nfs/dbraw/zinc/22/66/21/413226621.db2.gz BPESJMAXDRUXNF-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786639 413229828 /nfs/dbraw/zinc/22/98/28/413229828.db2.gz VJBDMFVKRZQIJK-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3ccco3)CC2)CC[NH2+]1 ZINC000656787861 413229582 /nfs/dbraw/zinc/22/95/82/413229582.db2.gz XPEMYBPVYJEDNU-ZIAGYGMSSA-N 2 0 262.397 2.847 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C3CCC3)CC2)CC[NH2+]1 ZINC000656787583 413231763 /nfs/dbraw/zinc/23/17/63/413231763.db2.gz NWKOBSHVWQUDIO-ZIAGYGMSSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC000656789121 413235330 /nfs/dbraw/zinc/23/53/30/413235330.db2.gz JVOVMNZDYZTZQC-CQSZACIVSA-N 2 0 264.800 2.668 20 0 CFADRP CCOCC[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348301440 286098962 /nfs/dbraw/zinc/09/89/62/286098962.db2.gz HZDNLTDIJYDOOA-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1([NH3+])CCCC1 ZINC000656788825 413236999 /nfs/dbraw/zinc/23/69/99/413236999.db2.gz DCUXXVJTPQJZGR-ZDUSSCGKSA-N 2 0 290.407 2.598 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@H]2C1 ZINC000424259283 286113138 /nfs/dbraw/zinc/11/31/38/286113138.db2.gz MSUFZAPACMNOLS-GEEKYZPCSA-N 2 0 268.445 2.510 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424319862 286113147 /nfs/dbraw/zinc/11/31/47/286113147.db2.gz SMSLOPJEKKTKFT-WNKDZCFJSA-N 2 0 280.456 2.512 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1CCC1 ZINC000335033280 296626144 /nfs/dbraw/zinc/62/61/44/296626144.db2.gz FOJTZJRKKHWHCM-WBVHZDCISA-N 2 0 272.392 2.632 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000656792858 413239289 /nfs/dbraw/zinc/23/92/89/413239289.db2.gz ZIWNUZANRPKZFQ-QZTJIDSGSA-N 2 0 288.435 2.658 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663499759 413243944 /nfs/dbraw/zinc/24/39/44/413243944.db2.gz MBTJFVFGSKFKCD-DLBZAZTESA-N 2 0 296.430 2.736 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499541 413244879 /nfs/dbraw/zinc/24/48/79/413244879.db2.gz YFXACEBELMXWFM-OOHWJJMZSA-N 2 0 258.409 2.658 20 0 CFADRP COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423164423 286226562 /nfs/dbraw/zinc/22/65/62/286226562.db2.gz OOFNLZIRQBDAKV-CHWSQXEVSA-N 2 0 282.403 2.872 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663504539 413250235 /nfs/dbraw/zinc/25/02/35/413250235.db2.gz ZWPRHSOEGPFSCS-OAHLLOKOSA-N 2 0 252.377 2.851 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](CCC2CC2)CC2CC2)CC[NH2+]1 ZINC000663502223 413249758 /nfs/dbraw/zinc/24/97/58/413249758.db2.gz FRKMUUDRYREOQK-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422968649 413253473 /nfs/dbraw/zinc/25/34/73/413253473.db2.gz RRSTZGIDOHTFSC-ZJIFWQFVSA-N 2 0 260.381 2.678 20 0 CFADRP CCCC(CCC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663506864 413253804 /nfs/dbraw/zinc/25/38/04/413253804.db2.gz WGRHCRMEVAORIO-UHFFFAOYSA-N 2 0 297.487 2.535 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC[NH+](CC)CC)C12CCC2 ZINC000338290827 286246370 /nfs/dbraw/zinc/24/63/70/286246370.db2.gz WBAUZQKZYRPFGB-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP COc1ccc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c2ccccc12 ZINC000663507215 413254537 /nfs/dbraw/zinc/25/45/37/413254537.db2.gz RXHKTDAUGASQMG-HZPDHXFCSA-N 2 0 288.366 2.720 20 0 CFADRP COCC1(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000414975298 292246533 /nfs/dbraw/zinc/24/65/33/292246533.db2.gz NTHHSEYXTYUOGX-CVEARBPZSA-N 2 0 290.451 2.784 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000453363812 292247741 /nfs/dbraw/zinc/24/77/41/292247741.db2.gz CAKUXFUAPFJJQD-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414968402 292250195 /nfs/dbraw/zinc/25/01/95/292250195.db2.gz FQCPIYDBKHGFPX-HOTGVXAUSA-N 2 0 280.456 2.561 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000423400642 292249112 /nfs/dbraw/zinc/24/91/12/292249112.db2.gz FVSSMCVEMSXAOH-XHSDSOJGSA-N 2 0 282.472 2.807 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000423405316 292249219 /nfs/dbraw/zinc/24/92/19/292249219.db2.gz YXVLDSOSSMPALG-OAHLLOKOSA-N 2 0 276.424 2.662 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC([NH3+])(CC)CC)C12CCCC2 ZINC000423287348 286278829 /nfs/dbraw/zinc/27/88/29/286278829.db2.gz LRIVACPNNDMZHH-ZIAGYGMSSA-N 2 0 268.445 2.831 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415060517 286292847 /nfs/dbraw/zinc/29/28/47/286292847.db2.gz YNBJWKIRSIRCTP-DOTOQJQBSA-N 2 0 288.435 2.968 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C1(CC)CC ZINC000422840304 286291357 /nfs/dbraw/zinc/29/13/57/286291357.db2.gz SLQQDGZQZMVBKV-MGPQQGTHSA-N 2 0 256.434 2.687 20 0 CFADRP COCC1CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000449077267 292263619 /nfs/dbraw/zinc/26/36/19/292263619.db2.gz VKCQAJZIMINCCB-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP COCC1CCC([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000423192858 292266392 /nfs/dbraw/zinc/26/63/92/292266392.db2.gz VDJCJGOQWPPRTR-LRVUVFPRSA-N 2 0 291.439 2.705 20 0 CFADRP Fc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)c1F ZINC000356828938 155383704 /nfs/dbraw/zinc/38/37/04/155383704.db2.gz CORLVENMMAKZRF-CHWSQXEVSA-N 2 0 298.352 2.863 20 0 CFADRP Fc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(F)c1F ZINC000356828952 155383764 /nfs/dbraw/zinc/38/37/64/155383764.db2.gz CORLVENMMAKZRF-QWHCGFSZSA-N 2 0 298.352 2.863 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422786171 286367227 /nfs/dbraw/zinc/36/72/27/286367227.db2.gz SHELUPZCNPHTCD-UKPHBRMFSA-N 2 0 276.424 2.906 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000261570229 286391101 /nfs/dbraw/zinc/39/11/01/286391101.db2.gz OHBYFEWPFDYKLI-ZQDZILKHSA-N 2 0 268.445 2.545 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C12CCCC2 ZINC000422811417 286404722 /nfs/dbraw/zinc/40/47/22/286404722.db2.gz VWCPYGZBXKPILZ-FXUDXRNXSA-N 2 0 280.456 2.831 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CC3 ZINC000414948730 292299881 /nfs/dbraw/zinc/29/98/81/292299881.db2.gz YWTMAZWCXHYDKM-VBQJREDUSA-N 2 0 297.446 2.921 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000343071383 154105044 /nfs/dbraw/zinc/10/50/44/154105044.db2.gz LZKZJOVFESNTGO-MFKMUULPSA-N 2 0 288.313 2.625 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)cc1OC ZINC000343264762 154161544 /nfs/dbraw/zinc/16/15/44/154161544.db2.gz BAWLHWKVWNJSAG-HIFRSBDPSA-N 2 0 292.423 2.524 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000348016765 154288573 /nfs/dbraw/zinc/28/85/73/154288573.db2.gz NFKADSJKOQHKPW-INIZCTEOSA-N 2 0 283.504 2.532 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348065247 154304136 /nfs/dbraw/zinc/30/41/36/154304136.db2.gz BNZWTHDFCKSUPA-KFWWJZLASA-N 2 0 270.461 2.758 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000348112097 154326343 /nfs/dbraw/zinc/32/63/43/154326343.db2.gz VVIYTANXUREMRL-WBVHZDCISA-N 2 0 276.424 2.905 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)[C@@H](C)C1 ZINC000348126951 154330675 /nfs/dbraw/zinc/33/06/75/154330675.db2.gz RGYVQSMZFXFTIS-XOYOTBSWSA-N 2 0 294.483 2.902 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000348204459 154362066 /nfs/dbraw/zinc/36/20/66/154362066.db2.gz SUHFUOIRVJYMGG-HZMVEIRTSA-N 2 0 294.483 2.996 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348248713 154380364 /nfs/dbraw/zinc/38/03/64/154380364.db2.gz TZZQJSQYFHYQHJ-IAGOWNOFSA-N 2 0 258.409 2.722 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000248421586 286442139 /nfs/dbraw/zinc/44/21/39/286442139.db2.gz BWLZXOJLMBOKJZ-BBWFWOEESA-N 2 0 282.472 2.925 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CC[C@@H](C)F)CC1 ZINC000352030871 154449110 /nfs/dbraw/zinc/44/91/10/154449110.db2.gz XWGLLJRSMCKHAI-CQSZACIVSA-N 2 0 274.424 2.557 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000122360796 292308285 /nfs/dbraw/zinc/30/82/85/292308285.db2.gz XHFZBPVYBMNMFF-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000660415435 413298182 /nfs/dbraw/zinc/29/81/82/413298182.db2.gz CSLXQYHFVQFERD-QKPAOTATSA-N 2 0 250.430 2.839 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422796216 533676448 /nfs/dbraw/zinc/67/64/48/533676448.db2.gz XUNDJTJSFJONRG-CKEIUWERSA-N 2 0 292.423 2.570 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000355564475 155042764 /nfs/dbraw/zinc/04/27/64/155042764.db2.gz GVTURZUXTMPACE-GFCCVEGCSA-N 2 0 253.390 2.583 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000355583287 155046376 /nfs/dbraw/zinc/04/63/76/155046376.db2.gz MBDMJYMHIDSTMU-ZGRYLRDCSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000355692083 155064281 /nfs/dbraw/zinc/06/42/81/155064281.db2.gz KPIQAXCWLQYWLX-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP c1c[nH]c([C@@H]2CCCN2Cc2cc(-n3ccnc3)cs2)n1 ZINC000355742668 155073023 /nfs/dbraw/zinc/07/30/23/155073023.db2.gz WLGXOMCPSLGXKV-AWEZNQCLSA-N 2 0 299.403 2.994 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000357842288 155554854 /nfs/dbraw/zinc/55/48/54/155554854.db2.gz AKJRCAHOCSMUCN-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000358167377 155655438 /nfs/dbraw/zinc/65/54/38/155655438.db2.gz KNAOIXKBYUWMQQ-OAHLLOKOSA-N 2 0 299.503 2.730 20 0 CFADRP CCS[C@H]1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000359189458 156018856 /nfs/dbraw/zinc/01/88/56/156018856.db2.gz LRIZNZIKPFLFCQ-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000362799171 156087190 /nfs/dbraw/zinc/08/71/90/156087190.db2.gz XJPWIPJWLPGYDU-XYPHTWIQSA-N 2 0 292.467 2.654 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362916400 156113475 /nfs/dbraw/zinc/11/34/75/156113475.db2.gz GJAHGYYOBSXQBJ-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000363861009 156200132 /nfs/dbraw/zinc/20/01/32/156200132.db2.gz MCYYTYMVHVAAEO-DOTOQJQBSA-N 2 0 294.483 2.782 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C12CCCC2 ZINC000422813226 286537307 /nfs/dbraw/zinc/53/73/07/286537307.db2.gz YXZXOLVPDHLGCM-CKUJCDMFSA-N 2 0 280.456 2.831 20 0 CFADRP C(C[NH2+]C1CCC2(CCCO2)CC1)C[NH+]1CCCC1 ZINC000364792588 156224395 /nfs/dbraw/zinc/22/43/95/156224395.db2.gz FSTMWUCVTCURKR-UHFFFAOYSA-N 2 0 266.429 2.554 20 0 CFADRP CCOC1CC(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000367222366 156299326 /nfs/dbraw/zinc/29/93/26/156299326.db2.gz CFEQNJIEMPRDOT-GTPINHCMSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](C/C=C/Cl)CC2)C1CC1 ZINC000367310402 156310413 /nfs/dbraw/zinc/31/04/13/156310413.db2.gz RAVILCJTXLVQEK-DRRGCAIJSA-N 2 0 268.832 2.935 20 0 CFADRP Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)o1 ZINC000367467871 156337112 /nfs/dbraw/zinc/33/71/12/156337112.db2.gz XVALZTVWDCVRCQ-BMFZPTHFSA-N 2 0 260.381 2.504 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)[C@@H]2CCC[C@H]21 ZINC000367599230 156357790 /nfs/dbraw/zinc/35/77/90/156357790.db2.gz HCYDUJVVWMZSGO-BHYGNILZSA-N 2 0 294.389 2.970 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367617475 156364296 /nfs/dbraw/zinc/36/42/96/156364296.db2.gz NLBTYUGFJDJXTA-BRWVUGGUSA-N 2 0 274.408 2.658 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367627494 156368707 /nfs/dbraw/zinc/36/87/07/156368707.db2.gz TYUGSILZVINORQ-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cs1 ZINC000367757447 156388443 /nfs/dbraw/zinc/38/84/43/156388443.db2.gz UOGFCZPMGDRGAY-RBSFLKMASA-N 2 0 293.480 2.710 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000657179375 413329804 /nfs/dbraw/zinc/32/98/04/413329804.db2.gz YMFHGRFFMRIFCQ-ZBFHGGJFSA-N 2 0 273.424 2.781 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660464195 413336512 /nfs/dbraw/zinc/33/65/12/413336512.db2.gz LKEMBKZPDXXJIQ-OAGGEKHMSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)C1 ZINC000401015729 296737259 /nfs/dbraw/zinc/73/72/59/296737259.db2.gz ISOFNPLEOAWRJQ-TWHJKIGZSA-N 2 0 250.430 2.789 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000372695904 156912362 /nfs/dbraw/zinc/91/23/62/156912362.db2.gz SBYVVWCYVLTHHV-UHFFFAOYSA-N 2 0 292.467 2.942 20 0 CFADRP COC(=O)[C@H](c1ccccc1)N1CCC(c2c[nH]cn2)CC1 ZINC000374208883 157083533 /nfs/dbraw/zinc/08/35/33/157083533.db2.gz OBMHIOGTTAEDRF-INIZCTEOSA-N 2 0 299.374 2.503 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000374257274 157088760 /nfs/dbraw/zinc/08/87/60/157088760.db2.gz YICIKZAKNAFEFM-MRXNPFEDSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)c1nccn1[C@@H]1CCCN(Cc2cncnc2)C1 ZINC000374274334 157090661 /nfs/dbraw/zinc/09/06/61/157090661.db2.gz YILSUWCSSGHBCA-OAHLLOKOSA-N 2 0 285.395 2.634 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCC12CCOCC2)C(C)(C)C ZINC000374304070 157096088 /nfs/dbraw/zinc/09/60/88/157096088.db2.gz WIFASIIKRWXTFG-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375450133 157244581 /nfs/dbraw/zinc/24/45/81/157244581.db2.gz VIKOSGXHRNYYDN-USXIJHARSA-N 2 0 276.424 2.694 20 0 CFADRP C1=CO[C@H](CN2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000375718493 157273650 /nfs/dbraw/zinc/27/36/50/157273650.db2.gz KQXBHRZLNJFTGX-INIZCTEOSA-N 2 0 264.413 2.676 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)sc1C ZINC000375792864 157286945 /nfs/dbraw/zinc/28/69/45/157286945.db2.gz REPKKKJPXIXJGI-ZNMIVQPWSA-N 2 0 293.480 2.765 20 0 CFADRP Cc1cccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000375852082 157296334 /nfs/dbraw/zinc/29/63/34/157296334.db2.gz NHPUZBYPYPGNMW-ALOPSCKCSA-N 2 0 273.424 2.537 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC000375892253 157301214 /nfs/dbraw/zinc/30/12/14/157301214.db2.gz UHEPLJRYFQWTKF-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000375904934 157303272 /nfs/dbraw/zinc/30/32/72/157303272.db2.gz RNZBDNZWXMMWSB-GOSISDBHSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376035854 157316136 /nfs/dbraw/zinc/31/61/36/157316136.db2.gz UVCBQGRGJNDQDO-FUHWJXTLSA-N 2 0 297.402 2.792 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376204336 157334122 /nfs/dbraw/zinc/33/41/22/157334122.db2.gz ZKNAOOBODVDGCZ-AEFFLSMTSA-N 2 0 293.499 2.525 20 0 CFADRP CN(CC[N@H+](C)C1CC1)c1cc[nH+]cc1-c1cccnc1 ZINC000376421491 157353397 /nfs/dbraw/zinc/35/33/97/157353397.db2.gz PNGBPQPCOANEBE-UHFFFAOYSA-N 2 0 282.391 2.674 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000376515209 157366029 /nfs/dbraw/zinc/36/60/29/157366029.db2.gz ONWRAQXGGXYHQJ-FPAYPSAMSA-N 2 0 282.431 2.742 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000651227063 413358886 /nfs/dbraw/zinc/35/88/86/413358886.db2.gz VGQTXOZSQCPNGV-GJZGRUSLSA-N 2 0 270.461 2.638 20 0 CFADRP CSC1(C[NH2+]CCC2CC[NH+](C)CC2)CCC1 ZINC000302419343 286656529 /nfs/dbraw/zinc/65/65/29/286656529.db2.gz JQBXJAAYQDUJFV-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)CN(C)CC ZINC000653559772 413370590 /nfs/dbraw/zinc/37/05/90/413370590.db2.gz SRRLSHDRMCQPOC-QZTJIDSGSA-N 2 0 292.467 2.561 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660537396 413378544 /nfs/dbraw/zinc/37/85/44/413378544.db2.gz BPVMYBLIOZBTQB-MHORFTMASA-N 2 0 293.499 2.523 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422829247 286709391 /nfs/dbraw/zinc/70/93/91/286709391.db2.gz BOAZJPPNVUBHFJ-YIYPIFLZSA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)CO1 ZINC000657284264 413394720 /nfs/dbraw/zinc/39/47/20/413394720.db2.gz MMEZZYZJGNVCPR-QLFBSQMISA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2nccn21 ZINC000651303799 413397102 /nfs/dbraw/zinc/39/71/02/413397102.db2.gz IBDMQPYGXPGBPE-BXUZGUMPSA-N 2 0 280.335 2.582 20 0 CFADRP CCc1cccc2cc(C[NH2+]CCn3ccnc3)oc21 ZINC000657290211 413406008 /nfs/dbraw/zinc/40/60/08/413406008.db2.gz ZPSZEMGWGJYGKY-UHFFFAOYSA-N 2 0 269.348 2.982 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353405306 298316050 /nfs/dbraw/zinc/31/60/50/298316050.db2.gz RPHAVCCHKKHWMO-IYXRBSQSSA-N 2 0 284.444 2.569 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CO1 ZINC000657297300 413415108 /nfs/dbraw/zinc/41/51/08/413415108.db2.gz HJKICLAZOBWKJP-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000657300802 413419793 /nfs/dbraw/zinc/41/97/93/413419793.db2.gz USXHESKWGMESNT-MSOLQXFVSA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000657300803 413420116 /nfs/dbraw/zinc/42/01/16/413420116.db2.gz USXHESKWGMESNT-QZTJIDSGSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000310158269 298399917 /nfs/dbraw/zinc/39/99/17/298399917.db2.gz PCTDGGHJGYJJGX-VWYCJHECSA-N 2 0 252.324 2.825 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000651384194 413433718 /nfs/dbraw/zinc/43/37/18/413433718.db2.gz RWGVXZXAZRRRAD-MAUKXSAKSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)CC[N@@H+]1C ZINC000344623008 162082322 /nfs/dbraw/zinc/08/23/22/162082322.db2.gz HFWRZMJJSYDZHH-HRQKUVISSA-N 2 0 262.372 2.911 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000344633157 162085062 /nfs/dbraw/zinc/08/50/62/162085062.db2.gz RBAUSXBDBMUQBY-PBHICJAKSA-N 2 0 298.434 2.957 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000344880048 162140321 /nfs/dbraw/zinc/14/03/21/162140321.db2.gz KCZGWDBSFHGCPQ-YOEHRIQHSA-N 2 0 288.435 2.824 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000344980974 162158177 /nfs/dbraw/zinc/15/81/77/162158177.db2.gz YKKYLPYSPVXRPV-HOTGVXAUSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(F)c1F ZINC000345247146 162209797 /nfs/dbraw/zinc/20/97/97/162209797.db2.gz IZQCMSHYAZWJOV-NSHDSACASA-N 2 0 266.335 2.877 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423454209 286927998 /nfs/dbraw/zinc/92/79/98/286927998.db2.gz LJEBJRYKCMVTBN-IUODEOHRSA-N 2 0 278.396 2.641 20 0 CFADRP [NH3+][C@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000346087236 162315141 /nfs/dbraw/zinc/31/51/41/162315141.db2.gz IRSRZJMJFHMXAI-KRWDZBQOSA-N 2 0 254.377 2.805 20 0 CFADRP CCc1cnc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000346219912 162354519 /nfs/dbraw/zinc/35/45/19/162354519.db2.gz NKWBJLPAXIDGRE-GXTWGEPZSA-N 2 0 281.469 2.868 20 0 CFADRP CCOC[C@@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346218500 162355187 /nfs/dbraw/zinc/35/51/87/162355187.db2.gz MMPCMYMEEAEOCK-CYBMUJFWSA-N 2 0 291.420 2.792 20 0 CFADRP [NH3+]CCCN(c1ccccc1F)[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346358578 162392729 /nfs/dbraw/zinc/39/27/29/162392729.db2.gz GVYFMFAQOPCFLU-GJZGRUSLSA-N 2 0 291.414 2.608 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(C)C ZINC000346640124 162472654 /nfs/dbraw/zinc/47/26/54/162472654.db2.gz AHFWSECOXQVNGL-DZGCQCFKSA-N 2 0 292.423 2.652 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000348424896 162848521 /nfs/dbraw/zinc/84/85/21/162848521.db2.gz RJXYSPCXRDEJAG-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000349683771 163003080 /nfs/dbraw/zinc/00/30/80/163003080.db2.gz IMQXPGNVCFXQNQ-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000349692269 163005224 /nfs/dbraw/zinc/00/52/24/163005224.db2.gz JZWDWSJSINXGHU-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC000349853819 163025258 /nfs/dbraw/zinc/02/52/58/163025258.db2.gz TZXLEYHYKRBDFY-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC1CCOCC1 ZINC000350048115 163054618 /nfs/dbraw/zinc/05/46/18/163054618.db2.gz KSKFJKBYLPBCEK-SQWLQELKSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000350312989 163072735 /nfs/dbraw/zinc/07/27/35/163072735.db2.gz DAUWHAVUSNAUER-UHFFFAOYSA-N 2 0 282.403 2.582 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1SC ZINC000351493086 163132682 /nfs/dbraw/zinc/13/26/82/163132682.db2.gz LTLRVDCNPNTQKF-IHRRRGAJSA-N 2 0 292.448 2.586 20 0 CFADRP Cc1sccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000351507976 163136933 /nfs/dbraw/zinc/13/69/33/163136933.db2.gz FDCBPLFNOPZIHD-UHFFFAOYSA-N 2 0 282.453 2.599 20 0 CFADRP C[C@@H]([NH2+]CCCCF)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351716546 163181353 /nfs/dbraw/zinc/18/13/53/163181353.db2.gz AGXKDYOYMPVSKN-ZIAGYGMSSA-N 2 0 256.409 2.979 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351851677 163203323 /nfs/dbraw/zinc/20/33/23/163203323.db2.gz LUGHDOMIZGPFLJ-KGLIPLIRSA-N 2 0 262.397 2.643 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)o1 ZINC000352809347 163239298 /nfs/dbraw/zinc/23/92/98/163239298.db2.gz HGEVWMUGHUEGRW-IGCXYCKISA-N 2 0 276.424 2.981 20 0 CFADRP CCc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000352812779 163242018 /nfs/dbraw/zinc/24/20/18/163242018.db2.gz HYHSKNFXCWYHKJ-UHFFFAOYSA-N 2 0 283.419 2.995 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000352823834 163242746 /nfs/dbraw/zinc/24/27/46/163242746.db2.gz ORSVJBMRFKEJCI-RDJZCZTQSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000352823835 163244235 /nfs/dbraw/zinc/24/42/35/163244235.db2.gz ORSVJBMRFKEJCI-WBVHZDCISA-N 2 0 293.499 2.594 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352835482 163246861 /nfs/dbraw/zinc/24/68/61/163246861.db2.gz PRGYEEVDCKVOJO-JQHSSLGASA-N 2 0 293.499 2.594 20 0 CFADRP COC[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352835659 163248557 /nfs/dbraw/zinc/24/85/57/163248557.db2.gz ZDIZHNUFBFODPG-FUHWJXTLSA-N 2 0 288.435 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CCCCC2)C[C@@H]1C ZINC000352858617 163253243 /nfs/dbraw/zinc/25/32/43/163253243.db2.gz NYRPTBMTSLYVFD-XIRDDKMYSA-N 2 0 282.472 2.732 20 0 CFADRP Cc1ccc(C)c(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000352927968 163272051 /nfs/dbraw/zinc/27/20/51/163272051.db2.gz BKIMLNSMMCTCIY-NVXWUHKLSA-N 2 0 258.409 2.829 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000353243220 163326074 /nfs/dbraw/zinc/32/60/74/163326074.db2.gz LJZALYGPTGDGPV-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C)on2)CC1 ZINC000353257389 163330058 /nfs/dbraw/zinc/33/00/58/163330058.db2.gz AZRSPEKSPVNGIQ-ZDUSSCGKSA-N 2 0 265.401 2.756 20 0 CFADRP Cc1cccc(CC[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353387377 163355645 /nfs/dbraw/zinc/35/56/45/163355645.db2.gz OQJRFPFAMUAQLB-UHFFFAOYSA-N 2 0 260.425 3.000 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000353391603 163357246 /nfs/dbraw/zinc/35/72/46/163357246.db2.gz DCJPTIOBDWKOLX-KBMXLJTQSA-N 2 0 292.398 2.667 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000353454800 163368155 /nfs/dbraw/zinc/36/81/55/163368155.db2.gz MAKCKXVALUBBOW-TVFCKZIOSA-N 2 0 293.499 2.569 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353483872 163374830 /nfs/dbraw/zinc/37/48/30/163374830.db2.gz IGNNCJPCIORLIS-DZGCQCFKSA-N 2 0 278.444 2.581 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCC(C)CC1 ZINC000353500779 163381145 /nfs/dbraw/zinc/38/11/45/163381145.db2.gz XPUDZJAGZCWGQJ-XMTFNYHQSA-N 2 0 293.499 2.569 20 0 CFADRP CCc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353529056 163387396 /nfs/dbraw/zinc/38/73/96/163387396.db2.gz PLIWGYWWFYCXRV-UHFFFAOYSA-N 2 0 290.451 2.792 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000353541490 163388441 /nfs/dbraw/zinc/38/84/41/163388441.db2.gz IJCWUERBLVTAHR-RMKNXTFCSA-N 2 0 288.435 2.742 20 0 CFADRP CC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)OC ZINC000353580727 163398803 /nfs/dbraw/zinc/39/88/03/163398803.db2.gz XMPJNJZWTDDAIK-MRXNPFEDSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+][C@H](C)CC[NH+](C)C)cc21 ZINC000657336130 413462116 /nfs/dbraw/zinc/46/21/16/413462116.db2.gz XIIAZHNHKLMOEW-CYBMUJFWSA-N 2 0 259.397 2.906 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878032 287022537 /nfs/dbraw/zinc/02/25/37/287022537.db2.gz IRTDOWJXQWZOCL-BRWVUGGUSA-N 3 0 281.488 2.619 20 0 CFADRP CC[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1CC ZINC000343445654 287057333 /nfs/dbraw/zinc/05/73/33/287057333.db2.gz FJOOCGHVJPJEHN-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCC1 ZINC000094424396 289697668 /nfs/dbraw/zinc/69/76/68/289697668.db2.gz SECJZCSWDKHBIH-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000651454327 413473794 /nfs/dbraw/zinc/47/37/94/413473794.db2.gz WIQQGERMFPMFGV-WZYMTQMTSA-N 2 0 273.424 2.974 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000193130884 287219260 /nfs/dbraw/zinc/21/92/60/287219260.db2.gz GQVTWVWTEOJOCF-NVXWUHKLSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128350 171014361 /nfs/dbraw/zinc/01/43/61/171014361.db2.gz MRMPTFGZKCWEEH-KURKYZTESA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000020128467 171015247 /nfs/dbraw/zinc/01/52/47/171015247.db2.gz PNZCAZLIPPEEKJ-CQSZACIVSA-N 2 0 295.858 2.628 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000020128506 171015439 /nfs/dbraw/zinc/01/54/39/171015439.db2.gz RNYMTACAGNSCNY-SFHVURJKSA-N 2 0 289.467 2.755 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000020128490 171015583 /nfs/dbraw/zinc/01/55/83/171015583.db2.gz AVKBYVFOZYCOHQ-KRWDZBQOSA-N 2 0 289.467 2.592 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000020129054 171016448 /nfs/dbraw/zinc/01/64/48/171016448.db2.gz NABDXQLPILLRKQ-CQSZACIVSA-N 2 0 290.407 2.594 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000020202289 171065979 /nfs/dbraw/zinc/06/59/79/171065979.db2.gz YVNGWRMASFCMGO-UHFFFAOYSA-N 2 0 287.451 2.513 20 0 CFADRP CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657357851 413490764 /nfs/dbraw/zinc/49/07/64/413490764.db2.gz GAWKNUIJCJFNEH-UHFFFAOYSA-N 2 0 270.380 2.937 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657355346 413491602 /nfs/dbraw/zinc/49/16/02/413491602.db2.gz JTVLHCFSEGTFON-LBPRGKRZSA-N 2 0 275.421 2.728 20 0 CFADRP Cc1cc(C(F)(F)F)cc(NCCc2cn(C)cn2)n1 ZINC000663997823 413502858 /nfs/dbraw/zinc/50/28/58/413502858.db2.gz AENIDDCPXXJVRR-UHFFFAOYSA-N 2 0 284.285 2.797 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](OC2CCC2)C1 ZINC000653814624 413520187 /nfs/dbraw/zinc/52/01/87/413520187.db2.gz QEMJQLOLUXOWQP-WBVHZDCISA-N 2 0 280.456 2.894 20 0 CFADRP c1cc(C[NH2+]CC(C2CC2)C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657377994 413520703 /nfs/dbraw/zinc/52/07/03/413520703.db2.gz KGBINBLPKJMDBB-UHFFFAOYSA-N 2 0 282.391 2.793 20 0 CFADRP COCc1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000657377216 413522822 /nfs/dbraw/zinc/52/28/22/413522822.db2.gz NSJXBUUOERWTCH-GOOCMWNKSA-N 2 0 294.464 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCSCC1 ZINC000035120802 171990621 /nfs/dbraw/zinc/99/06/21/171990621.db2.gz IVUNVEOKRPXSKK-ZDUSSCGKSA-N 2 0 258.475 2.982 20 0 CFADRP CC(C)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657392366 413545626 /nfs/dbraw/zinc/54/56/26/413545626.db2.gz WANOHBQTWSKPGW-UHFFFAOYSA-N 2 0 270.380 2.793 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCCO1 ZINC000653874809 413552466 /nfs/dbraw/zinc/55/24/66/413552466.db2.gz LDOJWKGNVCQOPA-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP c1cc2c(c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c1)CCC2 ZINC000651680377 413566107 /nfs/dbraw/zinc/56/61/07/413566107.db2.gz ITGAFPLPYKKQKZ-DLBZAZTESA-N 2 0 270.420 2.892 20 0 CFADRP CCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000651680830 413567131 /nfs/dbraw/zinc/56/71/31/413567131.db2.gz SLEFGZANVSPYEH-IRXDYDNUSA-N 2 0 258.409 2.965 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651680871 413567686 /nfs/dbraw/zinc/56/76/86/413567686.db2.gz UTIFJZAESSMMTR-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000651686298 413570959 /nfs/dbraw/zinc/57/09/59/413570959.db2.gz WWITVXMMEKPFLW-INIZCTEOSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651705335 413580757 /nfs/dbraw/zinc/58/07/57/413580757.db2.gz PHPAXSNUBAMSBI-FGTMMUONSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@]2(C)CC)CC1 ZINC000651705068 413581377 /nfs/dbraw/zinc/58/13/77/413581377.db2.gz GTKQEWUXWDXNND-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367106055 287268416 /nfs/dbraw/zinc/26/84/16/287268416.db2.gz HLUIOZDWQORIGI-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1 ZINC000657428139 413591361 /nfs/dbraw/zinc/59/13/61/413591361.db2.gz YWHQWRCKYHYTAI-UHFFFAOYSA-N 2 0 274.408 2.745 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000660825112 413597241 /nfs/dbraw/zinc/59/72/41/413597241.db2.gz SQHLZFWZSFXAJC-ARFHVFGLSA-N 2 0 284.488 2.834 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000651733861 413599231 /nfs/dbraw/zinc/59/92/31/413599231.db2.gz VHLZCFUQJPTBEZ-BZZMCLGOSA-N 2 0 294.483 2.923 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c(C)c1 ZINC000657470289 413645369 /nfs/dbraw/zinc/64/53/69/413645369.db2.gz PAXMKZBDQRAMLJ-CQSZACIVSA-N 2 0 285.391 2.764 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794151 413645528 /nfs/dbraw/zinc/64/55/28/413645528.db2.gz GGKABKRTZTWPNE-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)NCc1nccn1C(C)C ZINC000657471090 413649597 /nfs/dbraw/zinc/64/95/97/413649597.db2.gz YRNUUFQQHZIWAS-AWEZNQCLSA-N 2 0 266.433 2.674 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3cnccc3o2)C1 ZINC000651811519 413652786 /nfs/dbraw/zinc/65/27/86/413652786.db2.gz SBIIOVBQUNQMKD-CZUORRHYSA-N 2 0 285.391 2.744 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3cnccc3o2)C1 ZINC000651811520 413654004 /nfs/dbraw/zinc/65/40/04/413654004.db2.gz SBIIOVBQUNQMKD-XJKSGUPXSA-N 2 0 285.391 2.744 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193949578 287269053 /nfs/dbraw/zinc/26/90/53/287269053.db2.gz PYLAKOOUPREYBA-QBPKDAKJSA-N 2 0 292.467 2.798 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000651758108 413618409 /nfs/dbraw/zinc/61/84/09/413618409.db2.gz OQWIMAYSKLXIEF-CQSZACIVSA-N 2 0 270.461 2.759 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000657489308 413678596 /nfs/dbraw/zinc/67/85/96/413678596.db2.gz YVZPVMWOPXEEDS-UHFFFAOYSA-N 2 0 290.455 2.652 20 0 CFADRP COCc1csc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000657491395 413683000 /nfs/dbraw/zinc/68/30/00/413683000.db2.gz FBUKJXNAOAFSMB-CYBMUJFWSA-N 2 0 282.453 2.716 20 0 CFADRP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCC3)C1(C)C ZINC000657495081 413684326 /nfs/dbraw/zinc/68/43/26/413684326.db2.gz HIPMXPBCOYHLSG-UONOGXRCSA-N 2 0 291.439 2.901 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000651865189 413685135 /nfs/dbraw/zinc/68/51/35/413685135.db2.gz PVBVKQMLCYYHSB-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000651865192 413687714 /nfs/dbraw/zinc/68/77/14/413687714.db2.gz PVBVKQMLCYYHSB-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000651865215 413687873 /nfs/dbraw/zinc/68/78/73/413687873.db2.gz QOIICRXPAGTYBX-OAHLLOKOSA-N 2 0 278.440 2.891 20 0 CFADRP CN(CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000285447693 196286877 /nfs/dbraw/zinc/28/68/77/196286877.db2.gz IUCFHBVNPNUVDB-JWTNVVGKSA-N 2 0 287.451 2.680 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000657525234 413705434 /nfs/dbraw/zinc/70/54/34/413705434.db2.gz VSAWBFKYVPOSMT-QGZVFWFLSA-N 2 0 298.434 2.835 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H]1CCO[C@@H]1C)C1CCCCC1 ZINC000651910063 413711225 /nfs/dbraw/zinc/71/12/25/413711225.db2.gz FVAHMICUIXRQBF-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP c1coc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613033 413792117 /nfs/dbraw/zinc/79/21/17/413792117.db2.gz UUEQNCWLSCPTMX-UHFFFAOYSA-N 2 0 285.391 2.676 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285475694 196296587 /nfs/dbraw/zinc/29/65/87/196296587.db2.gz ZWHFYPGDZTZBOG-IAGOWNOFSA-N 2 0 276.424 2.526 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1F ZINC000657573111 413762115 /nfs/dbraw/zinc/76/21/15/413762115.db2.gz JUXBOLJMKDEXFM-GJZGRUSLSA-N 2 0 295.446 2.748 20 0 CFADRP CC[C@@H](C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657586815 413771253 /nfs/dbraw/zinc/77/12/53/413771253.db2.gz MGADVBCFKKKBFF-CYBMUJFWSA-N 2 0 258.369 2.793 20 0 CFADRP CCC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597667 413779741 /nfs/dbraw/zinc/77/97/41/413779741.db2.gz WGKOKYLCRSHTNE-YJBOKZPZSA-N 2 0 290.451 2.779 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000657610354 413790976 /nfs/dbraw/zinc/79/09/76/413790976.db2.gz AHCBTHXEBGLVKP-JCNLHEQBSA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150052 413832199 /nfs/dbraw/zinc/83/21/99/413832199.db2.gz KJOJHTVDCWDXHS-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222471 413835634 /nfs/dbraw/zinc/83/56/34/413835634.db2.gz PFLZUGNQKJFDIN-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000285539425 196319519 /nfs/dbraw/zinc/31/95/19/196319519.db2.gz CBICXTBBDMCAQJ-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089801 298886318 /nfs/dbraw/zinc/88/63/18/298886318.db2.gz WATAFIRUAIGOIW-RWSFTLGLSA-N 2 0 250.361 2.919 20 0 CFADRP CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000652343526 413899410 /nfs/dbraw/zinc/89/94/10/413899410.db2.gz PSKCDVIZVNABOI-VXGBXAGGSA-N 2 0 280.416 2.664 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336847533 287273180 /nfs/dbraw/zinc/27/31/80/287273180.db2.gz WSDFNOXIKYRYCQ-BRWVUGGUSA-N 2 0 296.499 2.980 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352440 413901212 /nfs/dbraw/zinc/90/12/12/413901212.db2.gz YQBYUJSIFKDSQG-WMZOPIPTSA-N 2 0 288.435 2.743 20 0 CFADRP CCc1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350771 413902255 /nfs/dbraw/zinc/90/22/55/413902255.db2.gz HESFXFHCDSVYNE-WMZOPIPTSA-N 2 0 288.435 2.689 20 0 CFADRP C[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@H]1CC[NH3+] ZINC000652355592 413906215 /nfs/dbraw/zinc/90/62/15/413906215.db2.gz AQINDYMSDZYCMZ-WBVHZDCISA-N 2 0 275.440 2.572 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C)[C@H]1CC[NH3+] ZINC000652355952 413906273 /nfs/dbraw/zinc/90/62/73/413906273.db2.gz NWWCHNMLBUSAGS-ZBFHGGJFSA-N 2 0 275.440 2.702 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)n1 ZINC000652356053 413906513 /nfs/dbraw/zinc/90/65/13/413906513.db2.gz RCJLTMZJLWVPMS-BLLLJJGKSA-N 2 0 261.413 2.648 20 0 CFADRP COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000652358520 413907883 /nfs/dbraw/zinc/90/78/83/413907883.db2.gz OOPZCPWAHNDHQZ-IRXDYDNUSA-N 2 0 288.435 2.702 20 0 CFADRP CCOC1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000657872111 414017056 /nfs/dbraw/zinc/01/70/56/414017056.db2.gz NCYKCXQUISDQIM-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657871721 414017114 /nfs/dbraw/zinc/01/71/14/414017114.db2.gz LVDRSWZGTZKGNU-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC000657813889 413962995 /nfs/dbraw/zinc/96/29/95/413962995.db2.gz DDBBSAFROHCZKO-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824841 413963571 /nfs/dbraw/zinc/96/35/71/413963571.db2.gz ZBKZQDGWRSGMMR-HZPDHXFCSA-N 2 0 273.424 2.949 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H]1C ZINC000657815277 413966420 /nfs/dbraw/zinc/96/64/20/413966420.db2.gz OGPQJUHXOWKDDP-WWGRRREGSA-N 2 0 250.430 2.743 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657823642 413974918 /nfs/dbraw/zinc/97/49/18/413974918.db2.gz JBMBWMDEKBEWON-UHFFFAOYSA-N 2 0 274.399 2.786 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1COC2(CCC2)C1)C1CCCCC1 ZINC000657830200 413981336 /nfs/dbraw/zinc/98/13/36/413981336.db2.gz NALWFFVIRAWWSH-HNNXBMFYSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCn2nccc21 ZINC000657837808 413989356 /nfs/dbraw/zinc/98/93/56/413989356.db2.gz JMKUBIFNJPVIGQ-CVEARBPZSA-N 2 0 290.455 2.962 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657838793 413992487 /nfs/dbraw/zinc/99/24/87/413992487.db2.gz YDDDTCLOQYAYJA-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP FCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285645981 196354046 /nfs/dbraw/zinc/35/40/46/196354046.db2.gz SCARQHLHQUDNIC-QGZVFWFLSA-N 2 0 276.399 2.944 20 0 CFADRP C[C@H]([NH2+]CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000037220292 173037660 /nfs/dbraw/zinc/03/76/60/173037660.db2.gz SVTYEZDJOLZWCP-HNNXBMFYSA-N 2 0 260.425 2.939 20 0 CFADRP CCC[N@H+](CCc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000037538852 173258455 /nfs/dbraw/zinc/25/84/55/173258455.db2.gz DMRFFNVCZNYAAU-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CCF)C1 ZINC000661694794 414141353 /nfs/dbraw/zinc/14/13/53/414141353.db2.gz BGZITHBJWYBOGW-CABCVRRESA-N 2 0 256.409 2.932 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccccn2)CC1 ZINC000658061715 414145844 /nfs/dbraw/zinc/14/58/44/414145844.db2.gz KILDXRCJXKNPOF-CQSZACIVSA-N 2 0 261.413 2.649 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccoc1 ZINC000658066473 414148870 /nfs/dbraw/zinc/14/88/70/414148870.db2.gz AUXIKDSSCGRJIN-AWEZNQCLSA-N 2 0 292.423 2.821 20 0 CFADRP CC(C)C1CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000658069270 414154980 /nfs/dbraw/zinc/15/49/80/414154980.db2.gz FFPDJAHAMKDDKU-UHFFFAOYSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc2cnccc2o1 ZINC000658019177 414105448 /nfs/dbraw/zinc/10/54/48/414105448.db2.gz KCMJYMSDTMRADE-JQWIXIFHSA-N 2 0 282.347 2.759 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000658030788 414116372 /nfs/dbraw/zinc/11/63/72/414116372.db2.gz HGUXUZQBGKRXLB-CYBMUJFWSA-N 2 0 256.459 2.736 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665263264 414221144 /nfs/dbraw/zinc/22/11/44/414221144.db2.gz JJJYEVABUKOLGV-BZUAXINKSA-N 2 0 294.464 2.905 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000665265663 414222867 /nfs/dbraw/zinc/22/28/67/414222867.db2.gz YXZZXOLBEWTRRK-LVQVYYBASA-N 2 0 268.445 2.844 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665263265 414223285 /nfs/dbraw/zinc/22/32/85/414223285.db2.gz JJJYEVABUKOLGV-HRCADAONSA-N 2 0 294.464 2.905 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665267456 414227682 /nfs/dbraw/zinc/22/76/82/414227682.db2.gz WZQPBQRYLQDORU-YQQAZPJKSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266885 414228024 /nfs/dbraw/zinc/22/80/24/414228024.db2.gz LHUJQXJZZCVNTN-NWANDNLSSA-N 2 0 282.378 2.970 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273959 414229425 /nfs/dbraw/zinc/22/94/25/414229425.db2.gz GVXJKGMQYSLWIK-QCXCNERSSA-N 2 0 258.356 2.671 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273957 414229772 /nfs/dbraw/zinc/22/97/72/414229772.db2.gz GVXJKGMQYSLWIK-GMKTYKIGSA-N 2 0 258.356 2.671 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000665274480 414231544 /nfs/dbraw/zinc/23/15/44/414231544.db2.gz QVXRWQLJWDXARG-IGJPJIBNSA-N 2 0 258.356 2.814 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000665275086 414235308 /nfs/dbraw/zinc/23/53/08/414235308.db2.gz BRXBBWDTDLSCDV-YLFCFFPRSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665235426 414193769 /nfs/dbraw/zinc/19/37/69/414193769.db2.gz VXGSDDXOLMGLFL-IOASZLSFSA-N 2 0 264.388 2.795 20 0 CFADRP Cc1ccncc1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665239365 414196103 /nfs/dbraw/zinc/19/61/03/414196103.db2.gz RYBBQSMMERHDDJ-WBVHZDCISA-N 2 0 275.440 2.833 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237514 414196596 /nfs/dbraw/zinc/19/65/96/414196596.db2.gz CESVQSWHKNUZBW-CYZMBNFOSA-N 2 0 294.361 2.594 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665238505 414197825 /nfs/dbraw/zinc/19/78/25/414197825.db2.gz ZUJYCRFXAOQKBT-HOSYDEDBSA-N 2 0 282.350 2.592 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000658107828 414205675 /nfs/dbraw/zinc/20/56/75/414205675.db2.gz KGRXWBXCEZIKMC-YJBOKZPZSA-N 2 0 289.467 2.536 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658107360 414206166 /nfs/dbraw/zinc/20/61/66/414206166.db2.gz IJFDBKVHICEFGI-GJZGRUSLSA-N 2 0 297.512 2.541 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658107359 414206786 /nfs/dbraw/zinc/20/67/86/414206786.db2.gz IJFDBKVHICEFGI-CABCVRRESA-N 2 0 297.512 2.541 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccsc1 ZINC000658109161 414210201 /nfs/dbraw/zinc/21/02/01/414210201.db2.gz RHVCBVKNTFLCNN-UONOGXRCSA-N 2 0 283.485 2.671 20 0 CFADRP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C2CC(C)C2)cc1F ZINC000665259314 414218797 /nfs/dbraw/zinc/21/87/97/414218797.db2.gz BFUDQZWBRZEXKJ-DTVYBNOISA-N 2 0 292.398 2.668 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665277141 414240441 /nfs/dbraw/zinc/24/04/41/414240441.db2.gz UTCXWGAYEOFBEB-TZMCWYRMSA-N 2 0 289.448 2.817 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CCCO2 ZINC000665280797 414242190 /nfs/dbraw/zinc/24/21/90/414242190.db2.gz LYUBIYCYSNZURU-HZPDHXFCSA-N 2 0 292.423 2.872 20 0 CFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000665280505 414244128 /nfs/dbraw/zinc/24/41/28/414244128.db2.gz DURLGKDLWCXKPE-DGCLKSJQSA-N 2 0 299.484 2.664 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000665282797 414246860 /nfs/dbraw/zinc/24/68/60/414246860.db2.gz BZBYRJMJFBDVPH-VNQPRFMTSA-N 2 0 268.445 2.559 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282067 414248997 /nfs/dbraw/zinc/24/89/97/414248997.db2.gz QACFOYMQBJKUFV-CABCVRRESA-N 2 0 280.387 2.785 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CCC2)c1 ZINC000665283235 414249753 /nfs/dbraw/zinc/24/97/53/414249753.db2.gz JRDVBNUHSPIEAM-HUUCEWRRSA-N 2 0 274.408 2.934 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000665283828 414253634 /nfs/dbraw/zinc/25/36/34/414253634.db2.gz VTXGFFBPOVWBMC-BCLQGDPASA-N 2 0 268.445 2.689 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H](C)C1 ZINC000658186927 414270931 /nfs/dbraw/zinc/27/09/31/414270931.db2.gz ULBNBXSPSMGVEK-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)(C)OCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658187981 414270968 /nfs/dbraw/zinc/27/09/68/414270968.db2.gz XUMWOWJCIZATTN-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000665300157 414272472 /nfs/dbraw/zinc/27/24/72/414272472.db2.gz ZFOPOKFXRDNMBR-RBUKOAKNSA-N 3 0 299.462 2.843 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000658192028 414273767 /nfs/dbraw/zinc/27/37/67/414273767.db2.gz RIBOEFPAHYOIIV-ZVZYQTTQSA-N 2 0 288.435 2.916 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665301262 414276273 /nfs/dbraw/zinc/27/62/73/414276273.db2.gz SHSOBFRPRGWSDJ-ZJUUUORDSA-N 2 0 252.324 2.695 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccoc2)[C@@H](C)C1 ZINC000658197423 414278257 /nfs/dbraw/zinc/27/82/57/414278257.db2.gz GBFBMDCCAIDSIZ-DOTOQJQBSA-N 2 0 294.439 2.549 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000658209908 414285527 /nfs/dbraw/zinc/28/55/27/414285527.db2.gz KNIARRNFWCBCMT-BZUAXINKSA-N 2 0 294.464 2.857 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000658229424 414303672 /nfs/dbraw/zinc/30/36/72/414303672.db2.gz RSPFXNCRTXFKJD-WBVHZDCISA-N 2 0 293.499 2.713 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655680677 414354640 /nfs/dbraw/zinc/35/46/40/414354640.db2.gz QNXNOSYHGQBHSB-GJZGRUSLSA-N 2 0 278.444 2.818 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655691563 414366972 /nfs/dbraw/zinc/36/69/72/414366972.db2.gz VIVGZHZYCIJXSX-MRXNPFEDSA-N 2 0 290.455 2.820 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655703529 414375272 /nfs/dbraw/zinc/37/52/72/414375272.db2.gz ICKNFJIAPRWIHF-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccco2)[C@@H](C)C1 ZINC000658326799 414376749 /nfs/dbraw/zinc/37/67/49/414376749.db2.gz KDAWJNREJUSDIX-DZGCQCFKSA-N 2 0 250.386 2.532 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655704655 414379024 /nfs/dbraw/zinc/37/90/24/414379024.db2.gz HKSVRTWWTDATSI-JSGCOSHPSA-N 2 0 256.459 2.733 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658332201 414379999 /nfs/dbraw/zinc/37/99/99/414379999.db2.gz OYMNXHVAXNSMIR-LLLHUVSDSA-N 2 0 280.456 2.797 20 0 CFADRP CCC[C@H](C)[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000658344020 414389754 /nfs/dbraw/zinc/38/97/54/414389754.db2.gz NJNPJQGKZRJZIM-FUHWJXTLSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000655751659 414409120 /nfs/dbraw/zinc/40/91/20/414409120.db2.gz PLCOQAXSXVMEQT-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP c1cn2c(n1)[C@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000655770563 414421650 /nfs/dbraw/zinc/42/16/50/414421650.db2.gz LFNKZKODIOORAK-OAHLLOKOSA-N 2 0 276.428 2.574 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000655839623 414472803 /nfs/dbraw/zinc/47/28/03/414472803.db2.gz VOFBLAJZONOHBV-QXKUPLGCSA-N 2 0 280.456 2.795 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655788651 414436444 /nfs/dbraw/zinc/43/64/44/414436444.db2.gz MGLRHHVYZJMMOW-MSOLQXFVSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655792503 414438118 /nfs/dbraw/zinc/43/81/18/414438118.db2.gz JUDFFUXHALDURJ-UONOGXRCSA-N 2 0 258.475 2.838 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000655805113 414448503 /nfs/dbraw/zinc/44/85/03/414448503.db2.gz CLHMFWLVQZMFLC-BZPMIXESSA-N 2 0 280.387 2.825 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000655804557 414448613 /nfs/dbraw/zinc/44/86/13/414448613.db2.gz ZNGZDHCTMMXVPI-XOKHGSTOSA-N 2 0 273.424 2.853 20 0 CFADRP C[N@H+](CCn1ccnc1)C[C@H]1CCc2ccccc21 ZINC000662198152 414449903 /nfs/dbraw/zinc/44/99/03/414449903.db2.gz PNTBIJKZTIPTSZ-OAHLLOKOSA-N 2 0 255.365 2.545 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(F)c1F ZINC000655806008 414451240 /nfs/dbraw/zinc/45/12/40/414451240.db2.gz WRSVBHJTFJUQLX-UTUOFQBUSA-N 2 0 268.351 2.956 20 0 CFADRP CO[C@H](C[N@H+](C)CC[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662246662 414473402 /nfs/dbraw/zinc/47/34/02/414473402.db2.gz AKRLIDKAVHJYPD-HZPDHXFCSA-N 2 0 270.461 2.887 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000655805249 414451556 /nfs/dbraw/zinc/45/15/56/414451556.db2.gz DJDLQQGLMKQRKA-RHNCMZPLSA-N 2 0 287.451 2.585 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000655805780 414451740 /nfs/dbraw/zinc/45/17/40/414451740.db2.gz LBCZNHMQBBLNQS-XQQFMLRXSA-N 2 0 279.453 2.759 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000662213162 414458866 /nfs/dbraw/zinc/45/88/66/414458866.db2.gz VEFGZHQCALFVPL-KRWDZBQOSA-N 2 0 258.409 2.866 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000655824061 414459670 /nfs/dbraw/zinc/45/96/70/414459670.db2.gz DERHQVSYWUDYPP-KDYLLFBJSA-N 2 0 269.392 2.665 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655824077 414460319 /nfs/dbraw/zinc/46/03/19/414460319.db2.gz DMSMWBYIURQECC-MIGQKNRLSA-N 2 0 250.430 2.909 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245179 414473712 /nfs/dbraw/zinc/47/37/12/414473712.db2.gz IMSSIGSZQXZWGU-BFYDXBDKSA-N 2 0 258.409 2.851 20 0 CFADRP CCc1cccc(F)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824275 414461505 /nfs/dbraw/zinc/46/15/05/414461505.db2.gz HJLVMNPSFSKQTF-XBXGTLAGSA-N 2 0 264.388 2.818 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825305 414462387 /nfs/dbraw/zinc/46/23/87/414462387.db2.gz DESCIDCIKWGZGN-RHNCMZPLSA-N 2 0 298.434 2.611 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000655734255 414398461 /nfs/dbraw/zinc/39/84/61/414398461.db2.gz DBAQKSWXUJHRBI-PPWQZUPISA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356707 414400070 /nfs/dbraw/zinc/40/00/70/414400070.db2.gz OUUDGRVNZPSYGZ-OAHLLOKOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cncs1 ZINC000658356441 414400577 /nfs/dbraw/zinc/40/05/77/414400577.db2.gz OCKAOFXIBSQCMQ-LBPRGKRZSA-N 2 0 279.453 2.916 20 0 CFADRP C[C@H](CC1CC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354631 414401263 /nfs/dbraw/zinc/40/12/63/414401263.db2.gz DWKJRMNUYNZMHE-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP CC1CCC([N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)CC1 ZINC000662252513 414475688 /nfs/dbraw/zinc/47/56/88/414475688.db2.gz OYPXIZLXOJERTN-ZBCRRDGASA-N 2 0 278.440 2.551 20 0 CFADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662250983 414475735 /nfs/dbraw/zinc/47/57/35/414475735.db2.gz USDKAIFHJUCHME-ZBFHGGJFSA-N 2 0 274.408 2.509 20 0 CFADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1Cc2ccccc2C1 ZINC000662252840 414476308 /nfs/dbraw/zinc/47/63/08/414476308.db2.gz QOTSSMKCVRHSOR-UHFFFAOYSA-N 2 0 292.426 2.932 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253074 414477623 /nfs/dbraw/zinc/47/76/23/414477623.db2.gz UMENBOYSSZEPGB-SJORKVTESA-N 2 0 288.435 2.981 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCCCO1 ZINC000655849880 414478816 /nfs/dbraw/zinc/47/88/16/414478816.db2.gz QJEWTNXKUFSPGP-HOTGVXAUSA-N 2 0 268.445 2.797 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@H]2CCCCO2)CC1 ZINC000655850815 414479767 /nfs/dbraw/zinc/47/97/67/414479767.db2.gz YZPXZQBSFGBMAY-HZPDHXFCSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662264173 414482437 /nfs/dbraw/zinc/48/24/37/414482437.db2.gz BPHCFMITJXFBMW-MNOVXSKESA-N 2 0 286.391 2.726 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000662266334 414483294 /nfs/dbraw/zinc/48/32/94/414483294.db2.gz MBWWTGYWSHGUFI-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP [NH3+]C1(C[NH2+]CCSc2cccc(Cl)c2)CCC1 ZINC000662267751 414485047 /nfs/dbraw/zinc/48/50/47/414485047.db2.gz YNHVWDZSPKYZPK-UHFFFAOYSA-N 2 0 270.829 2.903 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662271900 414488109 /nfs/dbraw/zinc/48/81/09/414488109.db2.gz BBVVTVXQZJJARY-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@@H]1C[N@H+](CCSc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000662273354 414488896 /nfs/dbraw/zinc/48/88/96/414488896.db2.gz URKIUDAVAXCZRL-CJNGLKHVSA-N 2 0 294.464 2.847 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272277 414489410 /nfs/dbraw/zinc/48/94/10/414489410.db2.gz DLYKTNZMCVWHFN-UHDSXZAQSA-N 2 0 262.441 2.744 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662271896 414489679 /nfs/dbraw/zinc/48/96/79/414489679.db2.gz BBVVTVXQZJJARY-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662280537 414492796 /nfs/dbraw/zinc/49/27/96/414492796.db2.gz FTVRHSMPMGAESB-CVEARBPZSA-N 2 0 288.435 2.884 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)c1 ZINC000659303197 414493254 /nfs/dbraw/zinc/49/32/54/414493254.db2.gz LUGWZTYBCRGBTL-QGZVFWFLSA-N 2 0 295.386 2.579 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3c(F)cccc3F)C[C@@H]21 ZINC000655938647 414494606 /nfs/dbraw/zinc/49/46/06/414494606.db2.gz ZZGCQCGKJNOOFN-HACGYAERSA-N 2 0 294.389 2.957 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCc2noc3ccccc32)C[C@@H]1C[NH3+] ZINC000655939956 414495303 /nfs/dbraw/zinc/49/53/03/414495303.db2.gz NDFCELAGFGUPAA-RDBSUJKOSA-N 2 0 287.407 2.676 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000662281534 414495418 /nfs/dbraw/zinc/49/54/18/414495418.db2.gz NFOJASQBPMXHQQ-NXHRZFHOSA-N 2 0 288.435 2.620 20 0 CFADRP CO[C@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000662283199 414495442 /nfs/dbraw/zinc/49/54/42/414495442.db2.gz MLGGIEBKEPLDLO-NVXWUHKLSA-N 2 0 288.435 2.838 20 0 CFADRP C[NH2+]C[C@@H]1CCN(Cc2cc(C(C)C)ccc2OC)C1 ZINC000655937642 414496044 /nfs/dbraw/zinc/49/60/44/414496044.db2.gz DNONQYVUZHQBOY-AWEZNQCLSA-N 2 0 276.424 2.860 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291856 414496702 /nfs/dbraw/zinc/49/67/02/414496702.db2.gz AHGPTWXVBVFQPD-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294138 414497360 /nfs/dbraw/zinc/49/73/60/414497360.db2.gz BCXAVZIIQBWVLF-HNNXBMFYSA-N 2 0 291.439 2.757 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)noc2c1 ZINC000655941478 414497524 /nfs/dbraw/zinc/49/75/24/414497524.db2.gz VHDKHBJKQJTVNG-GJZGRUSLSA-N 2 0 299.418 2.692 20 0 CFADRP Fc1cccc(F)c1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000655941387 414497703 /nfs/dbraw/zinc/49/77/03/414497703.db2.gz SCIXLDBBGPUPRM-OKILXGFUSA-N 2 0 294.389 2.829 20 0 CFADRP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662285181 414498010 /nfs/dbraw/zinc/49/80/10/414498010.db2.gz ZBZLRASFJUEHOS-ARFHVFGLSA-N 2 0 266.429 2.704 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297741 414498981 /nfs/dbraw/zinc/49/89/81/414498981.db2.gz RKSAJULBLMLGAZ-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP CCc1noc(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662294518 414499091 /nfs/dbraw/zinc/49/90/91/414499091.db2.gz XHXXWUBYNYLASC-HNNXBMFYSA-N 2 0 291.439 2.757 20 0 CFADRP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CC[NH2+]C2)cc1 ZINC000662303675 414500504 /nfs/dbraw/zinc/50/05/04/414500504.db2.gz ANBVLUZYBOPVJC-SXVFUXMRSA-N 2 0 286.419 2.670 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662317487 414506001 /nfs/dbraw/zinc/50/60/01/414506001.db2.gz PYPJLZUKFYBHFM-WMZOPIPTSA-N 2 0 287.451 2.587 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)C1CC[NH2+]CC1 ZINC000662314466 414506114 /nfs/dbraw/zinc/50/61/14/414506114.db2.gz PGURKUPPCLTKRV-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000662325092 414506780 /nfs/dbraw/zinc/50/67/80/414506780.db2.gz HVDNFQPQCDXTCF-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324562 414508214 /nfs/dbraw/zinc/50/82/14/414508214.db2.gz XYZKAZMPVQCOSP-HZPDHXFCSA-N 2 0 270.461 2.711 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C1 ZINC000656193535 414531035 /nfs/dbraw/zinc/53/10/35/414531035.db2.gz MBUFICBBPYPHDI-BZUAXINKSA-N 2 0 273.424 2.663 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198064 414532323 /nfs/dbraw/zinc/53/23/23/414532323.db2.gz CYNTVPSYIHWRBI-FEWQNLEASA-N 2 0 254.418 2.582 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656196923 414532369 /nfs/dbraw/zinc/53/23/69/414532369.db2.gz WGKDEZQVZMUGBM-KGLIPLIRSA-N 2 0 276.424 2.832 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000656197836 414532568 /nfs/dbraw/zinc/53/25/68/414532568.db2.gz BMPJKGRAMTXNKI-XKQJLSEDSA-N 2 0 258.409 2.651 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000656200517 414533902 /nfs/dbraw/zinc/53/39/02/414533902.db2.gz ODAFGVPKORDBJU-ZFWWWQNUSA-N 2 0 262.397 2.611 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000656201191 414534573 /nfs/dbraw/zinc/53/45/73/414534573.db2.gz USIDISGODWHMSA-NXHRZFHOSA-N 2 0 287.451 2.751 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000656211895 414538707 /nfs/dbraw/zinc/53/87/07/414538707.db2.gz QETIXTAPAYBXEX-TXEJJXNPSA-N 2 0 271.364 2.693 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000659851096 414585939 /nfs/dbraw/zinc/58/59/39/414585939.db2.gz DZSVQXABCMNNAD-UHFFFAOYSA-N 2 0 277.412 2.716 20 0 CFADRP CC(C)(C)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000659851284 414586748 /nfs/dbraw/zinc/58/67/48/414586748.db2.gz YOZOORRBDXSJOE-HUUCEWRRSA-N 2 0 258.409 2.635 20 0 CFADRP c1ccc([C@@H]2CC[C@@H](C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000659848953 414586811 /nfs/dbraw/zinc/58/68/11/414586811.db2.gz CODJTZANNDFVFK-BGTYHANMSA-N 2 0 270.420 2.722 20 0 CFADRP CO[C@@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000659865525 414596102 /nfs/dbraw/zinc/59/61/02/414596102.db2.gz CXUCFJPPIKXMJH-KRWDZBQOSA-N 2 0 282.472 2.996 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366486753 287284727 /nfs/dbraw/zinc/28/47/27/287284727.db2.gz FIZMCJIJNHBEID-BZUAXINKSA-N 2 0 250.430 2.840 20 0 CFADRP CO[C@H](C[NH+]1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000659844527 414582465 /nfs/dbraw/zinc/58/24/65/414582465.db2.gz NRTSXJMLXNKJAP-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000659847093 414583550 /nfs/dbraw/zinc/58/35/50/414583550.db2.gz TZVFFTQAYOAVRE-MUJYYYPQSA-N 2 0 262.441 2.983 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659976636 414638728 /nfs/dbraw/zinc/63/87/28/414638728.db2.gz TUIHNNFJXLWGEP-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040904 174040931 /nfs/dbraw/zinc/04/09/31/174040931.db2.gz OBRXVKBTZRCNHL-CYBMUJFWSA-N 2 0 262.397 2.876 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCc3ccccc3)CC[C@@H]21 ZINC000660010647 414649568 /nfs/dbraw/zinc/64/95/68/414649568.db2.gz KQCQHWHYMXBLAZ-MSOLQXFVSA-N 2 0 288.435 2.619 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@@H]21 ZINC000660010281 414649744 /nfs/dbraw/zinc/64/97/44/414649744.db2.gz HMBLOCNOIQWDMN-MTSZKFMLSA-N 2 0 262.441 2.839 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000660010672 414649765 /nfs/dbraw/zinc/64/97/65/414649765.db2.gz KTKMIPXZJROHGM-KZNAEPCWSA-N 2 0 294.483 2.998 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659982424 414640749 /nfs/dbraw/zinc/64/07/49/414640749.db2.gz MKSCMTXBWRIWMB-FGTMMUONSA-N 2 0 295.515 2.628 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000040435614 174261645 /nfs/dbraw/zinc/26/16/45/174261645.db2.gz GVRDTICTYPEWGP-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC3CCC3)CC2)CC1 ZINC000660149117 414671298 /nfs/dbraw/zinc/67/12/98/414671298.db2.gz AICJOFMSWYSAOF-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP CCC[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668123 174367588 /nfs/dbraw/zinc/36/75/88/174367588.db2.gz DTZLAXVYFCLJOB-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746904 174392118 /nfs/dbraw/zinc/39/21/18/174392118.db2.gz MMUAHCGNHGQAOK-YIONKMFJSA-N 2 0 294.826 2.934 20 0 CFADRP CCCC(CCC)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770007 174399588 /nfs/dbraw/zinc/39/95/88/174399588.db2.gz WQQZUPJFNMTGEY-KRWDZBQOSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663345373 414678030 /nfs/dbraw/zinc/67/80/30/414678030.db2.gz JEPIUDOAPIRSAF-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044494585 175181949 /nfs/dbraw/zinc/18/19/49/175181949.db2.gz JRGBLLIGVNCRRV-KGLIPLIRSA-N 2 0 266.433 2.581 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(C[NH3+])CC1 ZINC000044511609 175187904 /nfs/dbraw/zinc/18/79/04/175187904.db2.gz CJWFSJZSFHDEAV-SNVBAGLBSA-N 2 0 254.324 2.697 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C[NH3+])CC1 ZINC000044512047 175188205 /nfs/dbraw/zinc/18/82/05/175188205.db2.gz JPMUPPLHVRYHHM-JTQLQIEISA-N 2 0 254.324 2.697 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2Br)CC1 ZINC000044515871 175190106 /nfs/dbraw/zinc/19/01/06/175190106.db2.gz XJMMUZWCWVNWMJ-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516300 175190429 /nfs/dbraw/zinc/19/04/29/175190429.db2.gz DURYGOPBXNQYEP-ZDUSSCGKSA-N 2 0 250.386 2.532 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000044517740 175191199 /nfs/dbraw/zinc/19/11/99/175191199.db2.gz ROOMVDKJYFTVPT-LLVKDONJSA-N 2 0 267.442 2.834 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532872 175196140 /nfs/dbraw/zinc/19/61/40/175196140.db2.gz BJUSWVFFGNTBBK-ZIAGYGMSSA-N 2 0 274.408 2.614 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534450 175197470 /nfs/dbraw/zinc/19/74/70/175197470.db2.gz YFNHOXNJLBMIPK-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP CC(C)CCOCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000045093812 175306804 /nfs/dbraw/zinc/30/68/04/175306804.db2.gz GMYOVPCHKMRCDJ-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP c1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197784 175685518 /nfs/dbraw/zinc/68/55/18/175685518.db2.gz PPRATYSJUADSRE-QGZVFWFLSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCC[NH2+]C2)CC1 ZINC000414825820 287311227 /nfs/dbraw/zinc/31/12/27/287311227.db2.gz HUARFBPOECUSRI-SOLBZPMBSA-N 2 0 293.499 2.619 20 0 CFADRP c1cc2c(cccc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[nH]1 ZINC000070938880 176013182 /nfs/dbraw/zinc/01/31/82/176013182.db2.gz QCPRHMUXYJONEZ-CYBMUJFWSA-N 2 0 269.392 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170253 176050997 /nfs/dbraw/zinc/05/09/97/176050997.db2.gz IFOWISNIXAZCJP-OAHLLOKOSA-N 2 0 288.435 2.832 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000392256194 270306729 /nfs/dbraw/zinc/30/67/29/270306729.db2.gz KGSLMVIKFXYCHZ-OLZOCXBDSA-N 2 0 276.346 2.959 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192476942 287347832 /nfs/dbraw/zinc/34/78/32/287347832.db2.gz QRSFAGZXPLSNDI-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000353401126 228096153 /nfs/dbraw/zinc/09/61/53/228096153.db2.gz HRERHCDVHWNESE-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000400971633 420503761 /nfs/dbraw/zinc/50/37/61/420503761.db2.gz PKHUUGMXSJDWMS-BFYDXBDKSA-N 2 0 272.436 2.942 20 0 CFADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)CC1CCCC1 ZINC000663374089 420505191 /nfs/dbraw/zinc/50/51/91/420505191.db2.gz DHMINYVUUJINSG-SFHVURJKSA-N 2 0 294.483 2.639 20 0 CFADRP COc1cccc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312782898 260202005 /nfs/dbraw/zinc/20/20/05/260202005.db2.gz HXHPORLDXUUULA-BMFZPTHFSA-N 2 0 274.408 2.688 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000093213087 260273177 /nfs/dbraw/zinc/27/31/77/260273177.db2.gz HICUSIWYCHJIAX-DRZSPHRISA-N 2 0 266.360 2.755 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000313398596 260290742 /nfs/dbraw/zinc/29/07/42/260290742.db2.gz QUASARZHEFRTKV-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](CC(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC000178222118 533684909 /nfs/dbraw/zinc/68/49/09/533684909.db2.gz DMAGKZGUOQOSMG-VNHYZAJKSA-N 2 0 289.423 2.671 20 0 CFADRP c1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390172692 262147155 /nfs/dbraw/zinc/14/71/55/262147155.db2.gz HIEHSWXVKCPBII-KZNAEPCWSA-N 2 0 288.435 2.714 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390519727 262204798 /nfs/dbraw/zinc/20/47/98/262204798.db2.gz FTOBORFENYSDKG-AEFFLSMTSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000390563307 262218628 /nfs/dbraw/zinc/21/86/28/262218628.db2.gz KZJMWDNOHGZJOC-NJAFHUGGSA-N 2 0 289.467 2.614 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000093210646 263283106 /nfs/dbraw/zinc/28/31/06/263283106.db2.gz JSWQEPXNAAYCND-UONOGXRCSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000090077725 649861028 /nfs/dbraw/zinc/86/10/28/649861028.db2.gz OQFFFMPMYNCQOH-MLGOLLRUSA-N 2 0 296.842 2.693 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000090077722 649861056 /nfs/dbraw/zinc/86/10/56/649861056.db2.gz OQFFFMPMYNCQOH-LRDDRELGSA-N 2 0 296.842 2.693 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC1(C)COC1 ZINC000348326340 265149988 /nfs/dbraw/zinc/14/99/88/265149988.db2.gz XWSKBUQSFYRYAU-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000314694476 265178246 /nfs/dbraw/zinc/17/82/46/265178246.db2.gz AUMJPXMZHAAETD-FUHWJXTLSA-N 2 0 288.435 2.756 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000519155790 265334607 /nfs/dbraw/zinc/33/46/07/265334607.db2.gz REEIUHKQWZEUBA-SJORKVTESA-N 2 0 288.435 2.777 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000519155788 265334966 /nfs/dbraw/zinc/33/49/66/265334966.db2.gz REEIUHKQWZEUBA-IAGOWNOFSA-N 2 0 288.435 2.777 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000519307627 265390013 /nfs/dbraw/zinc/39/00/13/265390013.db2.gz AAZYWQZTEFPSIV-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000040770298 270226978 /nfs/dbraw/zinc/22/69/78/270226978.db2.gz DAJAUOGOURHIFR-AEFFLSMTSA-N 2 0 295.515 2.817 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000194028052 270242200 /nfs/dbraw/zinc/24/22/00/270242200.db2.gz AYBWEHUUVZSFJS-INIZCTEOSA-N 2 0 296.842 2.959 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000258874156 270274490 /nfs/dbraw/zinc/27/44/90/270274490.db2.gz GEEVJRVLVIFENY-IRXDYDNUSA-N 2 0 254.377 2.852 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000258783706 270274617 /nfs/dbraw/zinc/27/46/17/270274617.db2.gz BNRQMIIEWNUEEK-ZIAGYGMSSA-N 2 0 250.361 2.573 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000313257097 270290424 /nfs/dbraw/zinc/29/04/24/270290424.db2.gz USWBLSALHAYTRI-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000314818259 270291376 /nfs/dbraw/zinc/29/13/76/270291376.db2.gz XVEHACZZPNRNBV-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000322825129 270296580 /nfs/dbraw/zinc/29/65/80/270296580.db2.gz DMQDDZBBYMTZPN-KRWWSPQJSA-N 2 0 286.419 2.897 20 0 CFADRP C[NH+](C)CCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000390304814 270305924 /nfs/dbraw/zinc/30/59/24/270305924.db2.gz DRNYVBSKBPYJFK-UHFFFAOYSA-N 2 0 254.805 2.814 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccncn1 ZINC000395962675 270314130 /nfs/dbraw/zinc/31/41/30/270314130.db2.gz GMAJEDGZZVXSFW-KGLIPLIRSA-N 2 0 264.417 2.638 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1C ZINC000397332933 270317177 /nfs/dbraw/zinc/31/71/77/270317177.db2.gz XJMQCKZMHDGIQR-KYOSRNDESA-N 2 0 291.439 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000514776429 270353286 /nfs/dbraw/zinc/35/32/86/270353286.db2.gz QTVQDUQZOLVCIO-XOIINTDNSA-N 2 0 276.424 2.794 20 0 CFADRP CC[NH2+]CCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000514824944 270354870 /nfs/dbraw/zinc/35/48/70/270354870.db2.gz IJBJFTRKNRSPQI-WMZOPIPTSA-N 2 0 289.467 2.629 20 0 CFADRP Cc1cccc(NC[C@H]2CCN(c3nc(C)ncc3C)C2)[nH+]1 ZINC000514821619 270355230 /nfs/dbraw/zinc/35/52/30/270355230.db2.gz DOGCFSUEBQRGAW-OAHLLOKOSA-N 2 0 297.406 2.735 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2(O)CCCC2)c1 ZINC000515414311 270370934 /nfs/dbraw/zinc/37/09/34/270370934.db2.gz GSFUYCBPNGOWDI-UHFFFAOYSA-N 2 0 290.451 2.923 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000516173912 270378357 /nfs/dbraw/zinc/37/83/57/270378357.db2.gz MAPYZMHFHOFVJQ-GUYCJALGSA-N 2 0 297.402 2.941 20 0 CFADRP C[N@H+](CC1(C)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000517006234 270395047 /nfs/dbraw/zinc/39/50/47/270395047.db2.gz NJCDPOFRLVNXBG-UHFFFAOYSA-N 2 0 287.451 2.820 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)C1 ZINC000530212976 270771172 /nfs/dbraw/zinc/77/11/72/270771172.db2.gz SMCSLEFTCRBZMA-XHXGSEDSSA-N 2 0 276.811 2.838 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000530226571 270776081 /nfs/dbraw/zinc/77/60/81/270776081.db2.gz SJPMTYXUELFDAP-CVEARBPZSA-N 2 0 280.456 2.641 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000530227755 270776850 /nfs/dbraw/zinc/77/68/50/270776850.db2.gz ZSOPUMCZLAPIPS-JKSUJKDBSA-N 2 0 280.456 2.641 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249658 270779897 /nfs/dbraw/zinc/77/98/97/270779897.db2.gz XKAJBXTUNHLVIG-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530248479 270779915 /nfs/dbraw/zinc/77/99/15/270779915.db2.gz KXLUGVTVMSYESK-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1C(C)(C)C1(C)C ZINC000533009986 270873242 /nfs/dbraw/zinc/87/32/42/270873242.db2.gz AZGAADJMWBQRRP-HNNXBMFYSA-N 2 0 295.515 2.674 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423285288 273966587 /nfs/dbraw/zinc/96/65/87/273966587.db2.gz ZHZFJAFKQHICTC-HZMBPMFUSA-N 2 0 297.240 2.882 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414217821 274086616 /nfs/dbraw/zinc/08/66/16/274086616.db2.gz CVPLOBYGSIEDTD-IDCNUPLLSA-N 2 0 286.419 2.515 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000414796275 274110846 /nfs/dbraw/zinc/11/08/46/274110846.db2.gz HGSDNVXGZMIOPY-ABAIWWIYSA-N 2 0 282.815 2.956 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCS2 ZINC000423204206 274136645 /nfs/dbraw/zinc/13/66/45/274136645.db2.gz DDUFJFAMZRBHGH-SWLSCSKDSA-N 2 0 292.448 2.821 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000423209877 274137464 /nfs/dbraw/zinc/13/74/64/274137464.db2.gz FOBOZABDCHGKQW-RVSPLBMKSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCS2 ZINC000423390182 274138966 /nfs/dbraw/zinc/13/89/66/274138966.db2.gz JVARSFXHVHBUIF-BYCMXARLSA-N 2 0 292.448 2.820 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH3+])CCCCC1)C2 ZINC000414850839 274151864 /nfs/dbraw/zinc/15/18/64/274151864.db2.gz ZXMSHOPCPHFOIV-OAHLLOKOSA-N 2 0 288.435 2.804 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2 ZINC000415013358 274152553 /nfs/dbraw/zinc/15/25/53/274152553.db2.gz KQXFKHYBBHTXFR-DZGCQCFKSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423310680 274210696 /nfs/dbraw/zinc/21/06/96/274210696.db2.gz ARBWDWMJGSSLKC-NSHDSACASA-N 2 0 286.341 2.836 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423304466 274214186 /nfs/dbraw/zinc/21/41/86/274214186.db2.gz YXNXHGLLPAIEMN-CABZTGNLSA-N 2 0 254.374 2.547 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423302083 274214270 /nfs/dbraw/zinc/21/42/70/274214270.db2.gz GULDWRYTZKZOKP-IONNQARKSA-N 2 0 289.242 2.682 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000336707009 274214516 /nfs/dbraw/zinc/21/45/16/274214516.db2.gz LQPHSHMWURYAOY-CABZTGNLSA-N 2 0 254.374 2.547 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423482918 274240212 /nfs/dbraw/zinc/24/02/12/274240212.db2.gz XJOBDHLRJVRYOQ-MXWKQRLJSA-N 2 0 256.340 2.611 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000414814682 274241274 /nfs/dbraw/zinc/24/12/74/274241274.db2.gz VXGAUOIAEMKSLH-CYBMUJFWSA-N 2 0 266.388 2.963 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000423041760 274255994 /nfs/dbraw/zinc/25/59/94/274255994.db2.gz JRMHCECBVBCTSV-SJKOYZFVSA-N 2 0 274.383 2.959 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000423381276 274262526 /nfs/dbraw/zinc/26/25/26/274262526.db2.gz OIJXDDMRFBNMQL-FMKPAKJESA-N 2 0 284.407 2.663 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000338775921 274283326 /nfs/dbraw/zinc/28/33/26/274283326.db2.gz RVPUJPNOLFHRBU-DSJMHWKBSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000261555675 274377604 /nfs/dbraw/zinc/37/76/04/274377604.db2.gz BQBBUSSQABLJFY-XBFCOCLRSA-N 2 0 262.422 2.811 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1nc2ccccc2n1C ZINC000423467160 274512397 /nfs/dbraw/zinc/51/23/97/274512397.db2.gz BFXVSQBDKCJWNS-UONOGXRCSA-N 2 0 286.423 2.756 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)C1C[NH2+]C1 ZINC000335600726 274522252 /nfs/dbraw/zinc/52/22/52/274522252.db2.gz ASSBMTAYUXIGRT-LKFCYVNXSA-N 2 0 250.773 2.525 20 0 CFADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000420265464 274711876 /nfs/dbraw/zinc/71/18/76/274711876.db2.gz VHUDOWORLHZCJH-STQMWFEESA-N 2 0 285.366 2.728 20 0 CFADRP FC(F)(F)c1cccnc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430935225 274907456 /nfs/dbraw/zinc/90/74/56/274907456.db2.gz SFDBUTDLXQKCAS-UHFFFAOYSA-N 2 0 299.340 2.676 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000134850580 274943575 /nfs/dbraw/zinc/94/35/75/274943575.db2.gz LJGRFORDAVFZEF-NRXISQOPSA-N 2 0 264.800 2.667 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422949322 274952985 /nfs/dbraw/zinc/95/29/85/274952985.db2.gz UZHOWQLPZKHZHA-UKRRQHHQSA-N 2 0 266.816 2.990 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000423459948 274956664 /nfs/dbraw/zinc/95/66/64/274956664.db2.gz ALUWNELQLMPSSN-IOASZLSFSA-N 2 0 274.408 2.877 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335501354 275069670 /nfs/dbraw/zinc/06/96/70/275069670.db2.gz RUVLNLFKYQFFAA-MRXNPFEDSA-N 2 0 274.433 2.526 20 0 CFADRP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353288259 275395777 /nfs/dbraw/zinc/39/57/77/275395777.db2.gz HCGNHSCXSRWUOW-IDCNUPLLSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@H]1CCSC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336109469 275398069 /nfs/dbraw/zinc/39/80/69/275398069.db2.gz GZFNBTJVOZIWPG-CABCVRRESA-N 2 0 268.470 2.690 20 0 CFADRP C(C[NH+]1CCCCC1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000078833879 275723632 /nfs/dbraw/zinc/72/36/32/275723632.db2.gz ZTAYOHQSGLFEOR-GOSISDBHSA-N 2 0 293.499 2.813 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H](C)[NH3+] ZINC000414828062 275769630 /nfs/dbraw/zinc/76/96/30/275769630.db2.gz YVKRAGAFLLDBJH-AWEZNQCLSA-N 2 0 286.423 2.823 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000344640612 275941895 /nfs/dbraw/zinc/94/18/95/275941895.db2.gz MAYPJYHHPUOCAV-ZSHCYNCHSA-N 2 0 282.472 2.636 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488452821 276004796 /nfs/dbraw/zinc/00/47/96/276004796.db2.gz YLECCINGDJUZFE-GJZGRUSLSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)[C@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000447166682 276027195 /nfs/dbraw/zinc/02/71/95/276027195.db2.gz FRQJSYIPDLLTMY-IAGOWNOFSA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)c1ccc(C[C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423022679 276053834 /nfs/dbraw/zinc/05/38/34/276053834.db2.gz IDUVQRJQXNFOHZ-KBPBESRZSA-N 2 0 260.425 2.939 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cc2cnccn2)c1 ZINC000453111404 276075963 /nfs/dbraw/zinc/07/59/63/276075963.db2.gz RQYSRNZRGGQKPO-OAHLLOKOSA-N 2 0 298.434 2.649 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451354484 276096255 /nfs/dbraw/zinc/09/62/55/276096255.db2.gz RNTMSKCPPGHPBE-ZACQAIPSSA-N 2 0 282.472 2.734 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000086869606 276098015 /nfs/dbraw/zinc/09/80/15/276098015.db2.gz QAGGWYJRAMKCLM-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CC1CCC([NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)CC1 ZINC000414698943 276190159 /nfs/dbraw/zinc/19/01/59/276190159.db2.gz RDPPIZLMDOOGRV-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)CC1 ZINC000336838543 276198485 /nfs/dbraw/zinc/19/84/85/276198485.db2.gz QOSZMPHZZAJCLF-ZWKOTPCHSA-N 2 0 294.483 2.857 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000311667895 276219505 /nfs/dbraw/zinc/21/95/05/276219505.db2.gz OWGJIBXHBWWMBJ-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175722797 276275559 /nfs/dbraw/zinc/27/55/59/276275559.db2.gz MANQHZINJVWYKF-HZPDHXFCSA-N 2 0 298.471 2.772 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123895857 276308456 /nfs/dbraw/zinc/30/84/56/276308456.db2.gz PEVYIKFXXHPBLQ-QAPCUYQASA-N 3 0 289.467 2.711 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000372803228 276324203 /nfs/dbraw/zinc/32/42/03/276324203.db2.gz CDLURSIXYNCUGV-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000247050955 276325599 /nfs/dbraw/zinc/32/55/99/276325599.db2.gz WZJIBXFIFZRZPP-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccccc1 ZINC000349659823 276328004 /nfs/dbraw/zinc/32/80/04/276328004.db2.gz AAPINWBHFPBSAL-OAHLLOKOSA-N 2 0 264.413 2.696 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000354453292 276330937 /nfs/dbraw/zinc/33/09/37/276330937.db2.gz ATPUIWIQUUVUKV-XGHPGWEVSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000451535002 276338438 /nfs/dbraw/zinc/33/84/38/276338438.db2.gz YDTVSHWYIMFUNJ-HRCADAONSA-N 2 0 268.445 2.608 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163458573 276373505 /nfs/dbraw/zinc/37/35/05/276373505.db2.gz RTCHRSAWVDPBMA-DZGCQCFKSA-N 2 0 262.397 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H](C)C1 ZINC000353947879 276395814 /nfs/dbraw/zinc/39/58/14/276395814.db2.gz PUNLHPYUUPLIPN-GHMZBOCLSA-N 2 0 264.335 2.649 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000353944025 276462384 /nfs/dbraw/zinc/46/23/84/276462384.db2.gz JCQZBILABYASND-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000155127169 276672157 /nfs/dbraw/zinc/67/21/57/276672157.db2.gz FFIKOBFNFOWHOJ-KBPBESRZSA-N 2 0 295.496 2.597 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154914902 276689780 /nfs/dbraw/zinc/68/97/80/276689780.db2.gz AWWOGBHEOAYJJV-JKSUJKDBSA-N 2 0 289.467 2.536 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000435387126 277021125 /nfs/dbraw/zinc/02/11/25/277021125.db2.gz XHVPNXYIJUFWMU-HNNXBMFYSA-N 2 0 260.425 2.797 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000339131415 277044194 /nfs/dbraw/zinc/04/41/94/277044194.db2.gz HZIQQGJKRQTITN-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@]2(CCCCO2)C1 ZINC000364619953 277046096 /nfs/dbraw/zinc/04/60/96/277046096.db2.gz SJCNCWHBBFHQOT-IRXDYDNUSA-N 2 0 280.456 2.896 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000374927717 277046161 /nfs/dbraw/zinc/04/61/61/277046161.db2.gz MTWUZMUPFUYJKU-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000459791746 277073350 /nfs/dbraw/zinc/07/33/50/277073350.db2.gz RTSNALTXFVILEH-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](C2CCCC2)C1 ZINC000420967430 277078605 /nfs/dbraw/zinc/07/86/05/277078605.db2.gz YRCDQCKMJVOJEQ-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423346736 277083323 /nfs/dbraw/zinc/08/33/23/277083323.db2.gz QBBTWSQTCZPCBO-SUMWQHHRSA-N 2 0 289.423 2.685 20 0 CFADRP C[NH+]1CCN(C[C@H]2CCC[N@@H+]([C@@H]3CCC(C)(C)C3)C2)CC1 ZINC000377634004 277108449 /nfs/dbraw/zinc/10/84/49/277108449.db2.gz YZNFIXBXLOJSNQ-IAGOWNOFSA-N 2 0 293.499 2.525 20 0 CFADRP COC1(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC000359748758 277188513 /nfs/dbraw/zinc/18/85/13/277188513.db2.gz OFUAODLRQSETDR-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000337434422 277241281 /nfs/dbraw/zinc/24/12/81/277241281.db2.gz WBZRCUZAJWWCPB-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777291 277273787 /nfs/dbraw/zinc/27/37/87/277273787.db2.gz HYVYKSJRKHJCLH-ZIAGYGMSSA-N 2 0 290.455 2.529 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272386 277282898 /nfs/dbraw/zinc/28/28/98/277282898.db2.gz KAHGAECGABAXCS-LRDDRELGSA-N 2 0 271.408 2.990 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423284032 277282944 /nfs/dbraw/zinc/28/29/44/277282944.db2.gz XZTDELLRLPIVSV-HZMBPMFUSA-N 2 0 297.240 2.882 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)C(C)C ZINC000372061887 277331871 /nfs/dbraw/zinc/33/18/71/277331871.db2.gz ZRAYNDRBEYYFGJ-MRXNPFEDSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256431 277334124 /nfs/dbraw/zinc/33/41/24/277334124.db2.gz BXWWWOSQYOXCRU-VYDXJSESSA-N 2 0 276.424 2.742 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373293635 277334499 /nfs/dbraw/zinc/33/44/99/277334499.db2.gz OCXRQZINWQVOIF-OWLYRPNTSA-N 2 0 288.435 2.979 20 0 CFADRP CC(C)CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000338778375 277359910 /nfs/dbraw/zinc/35/99/10/277359910.db2.gz QEDZWMLHOYNFGJ-FUHWJXTLSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159523534 277386283 /nfs/dbraw/zinc/38/62/83/277386283.db2.gz YRUUZAWZTPPZIG-CQSZACIVSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337290233 277391919 /nfs/dbraw/zinc/39/19/19/277391919.db2.gz LYJBTCAQPXEAMW-HOTGVXAUSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487545507 277392092 /nfs/dbraw/zinc/39/20/92/277392092.db2.gz ZDSMAPYPQUMTKS-GJZGRUSLSA-N 2 0 270.486 2.697 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417962519 277392202 /nfs/dbraw/zinc/39/22/02/277392202.db2.gz ZSHFEPWVPRRGJI-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422804586 277477495 /nfs/dbraw/zinc/47/74/95/277477495.db2.gz HPISGXCVPGVTQP-LUKYLMHMSA-N 2 0 282.472 2.541 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000423412880 277484097 /nfs/dbraw/zinc/48/40/97/277484097.db2.gz XLDUXBABNYGRGF-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422761621 277519369 /nfs/dbraw/zinc/51/93/69/277519369.db2.gz MYSNYSWHUNXKCC-RFQIPJPRSA-N 2 0 256.459 2.910 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2c1cccc2Cl ZINC000422936261 277563849 /nfs/dbraw/zinc/56/38/49/277563849.db2.gz LYCZTFNGDCISHX-ABAIWWIYSA-N 2 0 282.815 2.671 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000344676307 277585592 /nfs/dbraw/zinc/58/55/92/277585592.db2.gz SGHFUPILDBJITJ-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@]2(C)CCCC[C@@H]2C)CC1 ZINC000459608901 277610959 /nfs/dbraw/zinc/61/09/59/277610959.db2.gz IMJVGTYKBKOEDB-ZWKOTPCHSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)C2CCCC2)CC1 ZINC000337315978 277610969 /nfs/dbraw/zinc/61/09/69/277610969.db2.gz KJVOOZOEPDNRHB-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000449734427 277685948 /nfs/dbraw/zinc/68/59/48/277685948.db2.gz BLKUNVROMJEEPP-CYGHRXIMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000415065516 277724137 /nfs/dbraw/zinc/72/41/37/277724137.db2.gz GKNUOROFRUNWRU-NJAFHUGGSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000422794592 277762423 /nfs/dbraw/zinc/76/24/23/277762423.db2.gz UMCGLOSIXUWIFL-QCODTGAPSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423020280 277763164 /nfs/dbraw/zinc/76/31/64/277763164.db2.gz ZSAIHXRYPRBKLT-OWCLPIDISA-N 2 0 282.472 2.684 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000423468150 277917050 /nfs/dbraw/zinc/91/70/50/277917050.db2.gz JLLGKKNIKCFRIK-KBMXLJTQSA-N 2 0 261.413 2.886 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000414854993 277966615 /nfs/dbraw/zinc/96/66/15/277966615.db2.gz MOGHZNTUOVBQPB-YSVLISHTSA-N 2 0 288.435 2.530 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423404717 277990863 /nfs/dbraw/zinc/99/08/63/277990863.db2.gz XPPJWNLPBRUOGD-WOSRLPQWSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000368527487 278003353 /nfs/dbraw/zinc/00/33/53/278003353.db2.gz LLCYMRLNGMJPCZ-BBWFWOEESA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CCSCC3)CC[N@@H+]1C ZINC000421879438 278026412 /nfs/dbraw/zinc/02/64/12/278026412.db2.gz NDPZSPKBZMQSPP-MGPQQGTHSA-N 2 0 268.470 2.592 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CCCCCC3)C2)CC[N@@H+]1C ZINC000364458589 278029975 /nfs/dbraw/zinc/02/99/75/278029975.db2.gz NPTIFKUSUDVRHQ-ZACQAIPSSA-N 2 0 293.499 2.856 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360044002 278033316 /nfs/dbraw/zinc/03/33/16/278033316.db2.gz AVZDNMMNOGKUAG-DYVFJYSZSA-N 2 0 286.419 2.756 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415081462 278033329 /nfs/dbraw/zinc/03/33/29/278033329.db2.gz CASXIYOASPOPFW-XEZPLFJOSA-N 2 0 274.408 2.803 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000335180755 278123863 /nfs/dbraw/zinc/12/38/63/278123863.db2.gz UAFWOUSUTJKZSZ-KGLIPLIRSA-N 2 0 268.470 2.688 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC23CCC3)CC[NH+](C)CC1 ZINC000353656342 278125612 /nfs/dbraw/zinc/12/56/12/278125612.db2.gz HXBPYSYMGVDYNE-CYBMUJFWSA-N 2 0 268.470 2.736 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423104969 278140426 /nfs/dbraw/zinc/14/04/26/278140426.db2.gz HVCWTXZMWXSXCB-NEPJUHHUSA-N 2 0 252.427 2.765 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422761619 278145946 /nfs/dbraw/zinc/14/59/46/278145946.db2.gz MYSNYSWHUNXKCC-DGAVXFQQSA-N 2 0 256.459 2.910 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000415018886 278169662 /nfs/dbraw/zinc/16/96/62/278169662.db2.gz HGLCYLDSFXLAGT-NEPJUHHUSA-N 2 0 254.805 2.988 20 0 CFADRP CSc1cccc(F)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423109615 278175856 /nfs/dbraw/zinc/17/58/56/278175856.db2.gz SRPMJYPQIGPRAJ-GWCFXTLKSA-N 2 0 268.401 2.765 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCc2sccc2C1 ZINC000422721320 278208520 /nfs/dbraw/zinc/20/85/20/278208520.db2.gz VAFMHBKNGBEVAS-UONOGXRCSA-N 2 0 295.496 2.602 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422907783 278217209 /nfs/dbraw/zinc/21/72/09/278217209.db2.gz XNGULXDIVZUAMM-NOXHYTERSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423065898 278217941 /nfs/dbraw/zinc/21/79/41/278217941.db2.gz VNSLTOOTLCIFGL-LZLYRXPVSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](F)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000352011218 278222856 /nfs/dbraw/zinc/22/28/56/278222856.db2.gz ACGWXJHIQRYBKM-SOUVJXGZSA-N 2 0 286.435 2.556 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526457 278225405 /nfs/dbraw/zinc/22/54/05/278225405.db2.gz NTMACXZBIMCIAC-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381028 278228469 /nfs/dbraw/zinc/22/84/69/278228469.db2.gz YBQGZWPNPDEGSP-NUEKZKHPSA-N 2 0 261.413 2.652 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000414815139 278232276 /nfs/dbraw/zinc/23/22/76/278232276.db2.gz WWJMFZBZZCDELJ-SMDDNHRTSA-N 2 0 250.411 2.692 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000178200848 278232408 /nfs/dbraw/zinc/23/24/08/278232408.db2.gz FRFXVBYWDDLQLI-KBPBESRZSA-N 2 0 289.423 2.909 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423203043 278235685 /nfs/dbraw/zinc/23/56/85/278235685.db2.gz BTXNUTJWCWTVJE-STQMWFEESA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCCC1 ZINC000358295875 278254644 /nfs/dbraw/zinc/25/46/44/278254644.db2.gz KTAVQCQAIHOECX-RRQGHBQHSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCOCC1 ZINC000355061313 278255688 /nfs/dbraw/zinc/25/56/88/278255688.db2.gz JEESRYNEMFFPDU-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000158208470 278256984 /nfs/dbraw/zinc/25/69/84/278256984.db2.gz NQGCSBAXEACXOZ-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879787 278257326 /nfs/dbraw/zinc/25/73/26/278257326.db2.gz LESDPNCVAWXFSZ-IXDOHACOSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CCCC[C@H]1C ZINC000449081315 278257505 /nfs/dbraw/zinc/25/75/05/278257505.db2.gz DHMSYOYAMMIXLC-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423170682 278265126 /nfs/dbraw/zinc/26/51/26/278265126.db2.gz MROOHERNBMENET-DRPJVOAASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000423407943 278283261 /nfs/dbraw/zinc/28/32/61/278283261.db2.gz WQHBKLIXQZCWGK-MDZLAQPJSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423037289 278283495 /nfs/dbraw/zinc/28/34/95/278283495.db2.gz MOTMBHZTNFPOKU-KKBVYLPWSA-N 2 0 292.398 2.776 20 0 CFADRP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235908 278284832 /nfs/dbraw/zinc/28/48/32/278284832.db2.gz WHWVVIDLXUUHLO-CTASWTNQSA-N 2 0 282.497 2.981 20 0 CFADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[NH3+] ZINC000437777695 278296813 /nfs/dbraw/zinc/29/68/13/278296813.db2.gz UHZGCHVGDCUXCE-VIFPVBQESA-N 2 0 261.196 2.863 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424363142 278297645 /nfs/dbraw/zinc/29/76/45/278297645.db2.gz BCTLHYIEOQHPPH-NILFDRSVSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000158604888 278297678 /nfs/dbraw/zinc/29/76/78/278297678.db2.gz PPCNSCDNDMDISJ-ZDUSSCGKSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422987011 278309414 /nfs/dbraw/zinc/30/94/14/278309414.db2.gz HXDBOWPDQNJFJB-CHWSQXEVSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000422966929 278316238 /nfs/dbraw/zinc/31/62/38/278316238.db2.gz AWPSPSCVBAHBKF-CLCXKQKWSA-N 2 0 298.430 2.871 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151780766 278354926 /nfs/dbraw/zinc/35/49/26/278354926.db2.gz HAZQYDJDQBBUKO-CAOSSQGBSA-N 2 0 268.445 2.654 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423047371 278606830 /nfs/dbraw/zinc/60/68/30/278606830.db2.gz VBNOALJNEFOLDP-UKMLZYKCSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000422753914 278621624 /nfs/dbraw/zinc/62/16/24/278621624.db2.gz FLFYUXARMWPYID-SWLSCSKDSA-N 2 0 264.388 2.820 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000423147553 278621710 /nfs/dbraw/zinc/62/17/10/278621710.db2.gz CVDKCRARIZDEAE-OWCLPIDISA-N 2 0 280.456 2.559 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000250001545 278805402 /nfs/dbraw/zinc/80/54/02/278805402.db2.gz OTLMVAIHUQNDRN-ARFHVFGLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000357988970 288079879 /nfs/dbraw/zinc/07/98/79/288079879.db2.gz GBOMZAKCKAODSL-RHSMWYFYSA-N 2 0 283.419 2.707 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000125158892 278870038 /nfs/dbraw/zinc/87/00/38/278870038.db2.gz OEVTYRWTLGLIFU-BBWFWOEESA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1(C)C ZINC000085401218 278929096 /nfs/dbraw/zinc/92/90/96/278929096.db2.gz YXODTWVSJVUHIC-SOUVJXGZSA-N 2 0 270.461 2.756 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000354205322 279026782 /nfs/dbraw/zinc/02/67/82/279026782.db2.gz AJAWYTIBXOTFBX-GVDBMIGSSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000422736117 279079541 /nfs/dbraw/zinc/07/95/41/279079541.db2.gz XGHOICYVVPOPBO-KWBADKCTSA-N 2 0 267.442 2.799 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000036908305 288103895 /nfs/dbraw/zinc/10/38/95/288103895.db2.gz JUFJIXBKSYYNAC-KBXIAJHMSA-N 2 0 295.496 2.669 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000086869611 279101614 /nfs/dbraw/zinc/10/16/14/279101614.db2.gz QAGGWYJRAMKCLM-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422804587 279121585 /nfs/dbraw/zinc/12/15/85/279121585.db2.gz HPISGXCVPGVTQP-MWDXBVQZSA-N 2 0 282.472 2.541 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424072610 279136316 /nfs/dbraw/zinc/13/63/16/279136316.db2.gz DFZJPSDOTNHRLT-JKSUJKDBSA-N 2 0 297.487 2.554 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422694761 279138308 /nfs/dbraw/zinc/13/83/08/279138308.db2.gz OMUDQOIYWLXKES-MAUKXSAKSA-N 2 0 289.467 2.616 20 0 CFADRP C[C@@]1(C[NH2+]C2CCc3ccccc3CC2)CCC[NH2+]C1 ZINC000423335510 279161492 /nfs/dbraw/zinc/16/14/92/279161492.db2.gz IZJZYAKHAFXPAD-GOSISDBHSA-N 2 0 272.436 2.913 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@H]([NH+](C)C)CC2)c1Cl ZINC000334221541 279164822 /nfs/dbraw/zinc/16/48/22/279164822.db2.gz XCHNIZYTCYFRGE-LBPRGKRZSA-N 2 0 267.804 2.964 20 0 CFADRP Cc1[nH+]ccc(N2CC[NH+](CC(C)C)CC2)c1Cl ZINC000350285952 279164859 /nfs/dbraw/zinc/16/48/59/279164859.db2.gz JRXWESJVJSURKK-UHFFFAOYSA-N 2 0 267.804 2.821 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000414732325 279179694 /nfs/dbraw/zinc/17/96/94/279179694.db2.gz IQFVZBUTDNZWPS-JKSUJKDBSA-N 2 0 295.858 2.660 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415028867 279253820 /nfs/dbraw/zinc/25/38/20/279253820.db2.gz AKQUIYIUVGSUPJ-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000422705280 279254862 /nfs/dbraw/zinc/25/48/62/279254862.db2.gz BQNJFJPELFRZPB-RRFJBIMHSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000422960723 279255270 /nfs/dbraw/zinc/25/52/70/279255270.db2.gz XNWHNZXWSICADQ-IAQYHMDHSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423455664 279256142 /nfs/dbraw/zinc/25/61/42/279256142.db2.gz MXJGGRPUXADTJT-HFAKWTLXSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423150795 279256264 /nfs/dbraw/zinc/25/62/64/279256264.db2.gz CJMSICMZUAPLGN-LDYMZIIASA-N 2 0 272.314 2.808 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423465581 279256465 /nfs/dbraw/zinc/25/64/65/279256465.db2.gz WPZIYYCCORIWDM-RNCFNFMXSA-N 2 0 254.324 2.669 20 0 CFADRP C[C@H](CC[NH3+])[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414884892 279262464 /nfs/dbraw/zinc/26/24/64/279262464.db2.gz BOBCWIZFSJHNKC-GHMZBOCLSA-N 2 0 285.229 2.707 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189064023 279356269 /nfs/dbraw/zinc/35/62/69/279356269.db2.gz WDQQJMHDAKCRAR-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414929047 279367698 /nfs/dbraw/zinc/36/76/98/279367698.db2.gz NJQBSYNLCRGSGD-ISTRZQFTSA-N 2 0 273.424 2.766 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCCO1 ZINC000223841032 279371581 /nfs/dbraw/zinc/37/15/81/279371581.db2.gz UQDRTHJJVYBSIC-OAGGEKHMSA-N 2 0 268.445 2.846 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000430924316 279393965 /nfs/dbraw/zinc/39/39/65/279393965.db2.gz AGRDRHCENSKJRL-AWEZNQCLSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422905163 279476462 /nfs/dbraw/zinc/47/64/62/279476462.db2.gz RLMYBLSYAPDALF-DZJNRPSUSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000422792534 279496545 /nfs/dbraw/zinc/49/65/45/279496545.db2.gz ZLAINOMCULIUIQ-UWVGGRQHSA-N 2 0 283.213 2.708 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cn1 ZINC000423282988 279533759 /nfs/dbraw/zinc/53/37/59/279533759.db2.gz VNEOCFAUAPTNEU-WDMOLILDSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2sc(Cl)cc21)[C@H]1CC[NH2+]C1 ZINC000423121589 279550558 /nfs/dbraw/zinc/55/05/58/279550558.db2.gz JCOYYHSZKNMWMA-QXEWZRGKSA-N 2 0 270.829 2.976 20 0 CFADRP CC(C)OCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093514055 279666079 /nfs/dbraw/zinc/66/60/79/279666079.db2.gz COWNZVPQXZYYJX-GJZGRUSLSA-N 2 0 256.434 2.702 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415001956 279688017 /nfs/dbraw/zinc/68/80/17/279688017.db2.gz CZWGLBKJNYJBEB-DARAHFNDSA-N 2 0 250.430 2.790 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000423538652 279699570 /nfs/dbraw/zinc/69/95/70/279699570.db2.gz GSWQQHWXNWGNNZ-DGXTUMSLSA-N 2 0 280.456 2.556 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC23CCC3)C[C@H](C)O1 ZINC000337421074 288160114 /nfs/dbraw/zinc/16/01/14/288160114.db2.gz FRVNSGNBGMWXQQ-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423337305 279905179 /nfs/dbraw/zinc/90/51/79/279905179.db2.gz VEYVKMQWCVFWON-CQSZACIVSA-N 2 0 277.368 2.559 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCCC2 ZINC000423535216 279919299 /nfs/dbraw/zinc/91/92/99/279919299.db2.gz CJJHKEDOVCOCSJ-CVEARBPZSA-N 2 0 278.440 2.624 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000477944963 280011295 /nfs/dbraw/zinc/01/12/95/280011295.db2.gz XHYJOHWVNWTNOY-DZOHQFGASA-N 2 0 288.435 2.837 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359226031 280028254 /nfs/dbraw/zinc/02/82/54/280028254.db2.gz VNLAKKDJRCGKLE-AWEZNQCLSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@H]1c2ccccc2CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420298857 280125838 /nfs/dbraw/zinc/12/58/38/280125838.db2.gz ICTCFANQHPIDLX-LSDHHAIUSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCCc2ccccc21 ZINC000423014986 280159325 /nfs/dbraw/zinc/15/93/25/280159325.db2.gz JTIKODSLTORDAE-YESZJQIVSA-N 2 0 258.409 2.750 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000414919310 280160223 /nfs/dbraw/zinc/16/02/23/280160223.db2.gz WQWQTYJAHLYXTH-IRXDYDNUSA-N 2 0 258.409 2.523 20 0 CFADRP CC[C@@H](NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422790029 280189173 /nfs/dbraw/zinc/18/91/73/280189173.db2.gz UNTLRPDCSFVCDH-SQNIBIBYSA-N 2 0 289.467 2.718 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286205121 280196207 /nfs/dbraw/zinc/19/62/07/280196207.db2.gz RVUDAGXMZUDUHN-SJLPKXTDSA-N 2 0 289.467 2.672 20 0 CFADRP CC(C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422961111 280255881 /nfs/dbraw/zinc/25/58/81/280255881.db2.gz ANEXELFMIPWCKZ-IKGGRYGDSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423402123 280270479 /nfs/dbraw/zinc/27/04/79/280270479.db2.gz RHGWOIWRDVJRFC-OIISXLGYSA-N 2 0 260.425 2.841 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414977085 280286011 /nfs/dbraw/zinc/28/60/11/280286011.db2.gz QIVBOFBKQCBIPH-HZPDHXFCSA-N 2 0 282.472 2.809 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422909341 288218505 /nfs/dbraw/zinc/21/85/05/288218505.db2.gz NUNKJNKLEUQRIV-PMPSAXMXSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254193 280325636 /nfs/dbraw/zinc/32/56/36/280325636.db2.gz XLSDPYAFORXLRF-WFASDCNBSA-N 2 0 265.376 2.507 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000430694402 280328696 /nfs/dbraw/zinc/32/86/96/280328696.db2.gz KHPOENRDMCJPOX-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[NH3+] ZINC000414896814 280376897 /nfs/dbraw/zinc/37/68/97/280376897.db2.gz ACIWHTBKBXVUFL-UHFFFAOYSA-N 2 0 260.303 2.842 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000453353488 280385718 /nfs/dbraw/zinc/38/57/18/280385718.db2.gz JFXFTZZDXCNIHW-GVDBMIGSSA-N 2 0 273.424 2.661 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000422887341 280437172 /nfs/dbraw/zinc/43/71/72/280437172.db2.gz KOEXZALGYYOFNW-DOTOQJQBSA-N 2 0 298.434 2.706 20 0 CFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336420034 280444416 /nfs/dbraw/zinc/44/44/16/280444416.db2.gz PZCJSMHYQMQEQX-SJORKVTESA-N 2 0 292.467 2.677 20 0 CFADRP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000415112711 280479923 /nfs/dbraw/zinc/47/99/23/280479923.db2.gz DHLAUQXCLHACNK-GOSISDBHSA-N 2 0 287.451 2.514 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000071120412 280486519 /nfs/dbraw/zinc/48/65/19/280486519.db2.gz LUJWOYYSJIKHEW-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000128029743 280672077 /nfs/dbraw/zinc/67/20/77/280672077.db2.gz WTPKHBCETOWVDY-YOEHRIQHSA-N 2 0 296.430 2.876 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H](C)[N@H+]1C ZINC000338788503 288270332 /nfs/dbraw/zinc/27/03/32/288270332.db2.gz UZRIVLDUEJSOEP-BETUJISGSA-N 2 0 255.365 2.764 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423371111 280997556 /nfs/dbraw/zinc/99/75/56/280997556.db2.gz AJOZWDKSHDOUCK-QBPKDAKJSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000247033182 281003890 /nfs/dbraw/zinc/00/38/90/281003890.db2.gz MIBISIHUECXILT-XMTFNYHQSA-N 3 0 295.515 2.959 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CCOCC2)C1 ZINC000247092038 281005607 /nfs/dbraw/zinc/00/56/07/281005607.db2.gz WKLYZSSQEZWKJO-WMZOPIPTSA-N 2 0 294.483 2.999 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000247170233 281006381 /nfs/dbraw/zinc/00/63/81/281006381.db2.gz SMLSSKXRQSZPLT-VBQJREDUSA-N 2 0 294.414 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247242454 281008575 /nfs/dbraw/zinc/00/85/75/281008575.db2.gz ZAYRNOFDPJYZBX-XYVMCAHJSA-N 2 0 295.515 2.815 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000248172157 281018729 /nfs/dbraw/zinc/01/87/29/281018729.db2.gz UZFZBNPQQFPOQB-UHIISALHSA-N 2 0 281.469 2.621 20 0 CFADRP CSCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248548960 281025012 /nfs/dbraw/zinc/02/50/12/281025012.db2.gz HBPOGHBWRHUNDG-KGLIPLIRSA-N 2 0 256.459 2.736 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[NH3+] ZINC000423177526 281026692 /nfs/dbraw/zinc/02/66/92/281026692.db2.gz AWDQXYJWLCDYSC-HNNXBMFYSA-N 2 0 257.381 2.792 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248636023 281030008 /nfs/dbraw/zinc/03/00/08/281030008.db2.gz KTPXCZGQHWJKFB-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248730001 281033345 /nfs/dbraw/zinc/03/33/45/281033345.db2.gz JWLKTJJDVLVOAS-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP COC[C@@H](C)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000249858187 281067909 /nfs/dbraw/zinc/06/79/09/281067909.db2.gz QMQLYXQFCUTHPL-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249195414 281051428 /nfs/dbraw/zinc/05/14/28/281051428.db2.gz QGNBPGVZASHWGZ-HUUCEWRRSA-N 2 0 290.455 2.948 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000249458653 281058216 /nfs/dbraw/zinc/05/82/16/281058216.db2.gz YVGPKOYORQSSEB-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP COC[C@@H](C)C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249457015 281058270 /nfs/dbraw/zinc/05/82/70/281058270.db2.gz DOTUSZVJJTYAHN-XHSDSOJGSA-N 2 0 270.461 2.617 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000250780767 281070638 /nfs/dbraw/zinc/07/06/38/281070638.db2.gz SEHZHMAWGDOFQW-TVFCKZIOSA-N 2 0 295.515 2.863 20 0 CFADRP CC(C)C[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000251350224 281072039 /nfs/dbraw/zinc/07/20/39/281072039.db2.gz BHVVJEUXURANBO-GVDBMIGSSA-N 2 0 283.504 2.863 20 0 CFADRP c1sc2ccccc2c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000259037288 281111690 /nfs/dbraw/zinc/11/16/90/281111690.db2.gz PECMLMJJBDPJHI-GFCCVEGCSA-N 2 0 260.406 2.991 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261565316 281112052 /nfs/dbraw/zinc/11/20/52/281112052.db2.gz FGWMLEKKAAQFBZ-DUVNUKRYSA-N 2 0 262.372 2.693 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000268751094 281116355 /nfs/dbraw/zinc/11/63/55/281116355.db2.gz CJGPXDKGDRBJNE-HNNXBMFYSA-N 2 0 294.439 2.532 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000268737214 281116370 /nfs/dbraw/zinc/11/63/70/281116370.db2.gz WDUOBRVUABIGRB-KBAYOESNSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000268737220 281116620 /nfs/dbraw/zinc/11/66/20/281116620.db2.gz WDUOBRVUABIGRB-NXHRZFHOSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@H](C)C2 ZINC000335502031 281117076 /nfs/dbraw/zinc/11/70/76/281117076.db2.gz UAARIEOWHKDHMY-CXAGYDPISA-N 2 0 256.393 2.738 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@H](C)C2 ZINC000423246094 281117993 /nfs/dbraw/zinc/11/79/93/281117993.db2.gz JWHBKTXIXWNUCL-JKIFEVAISA-N 2 0 258.409 2.818 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H](C)C2 ZINC000423371191 281118109 /nfs/dbraw/zinc/11/81/09/281118109.db2.gz UTOXXYZHOUSGQG-YSVLISHTSA-N 2 0 258.409 2.960 20 0 CFADRP OC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCCCC1 ZINC000305146149 281151066 /nfs/dbraw/zinc/15/10/66/281151066.db2.gz RVLHICGDHWUVPA-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000305149671 281151315 /nfs/dbraw/zinc/15/13/15/281151315.db2.gz SXJVVXHFMHRBJN-SOUVJXGZSA-N 2 0 270.461 2.636 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396856871 281197685 /nfs/dbraw/zinc/19/76/85/281197685.db2.gz SSEHJDYTVJLZQC-UONOGXRCSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)c1ccc([C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000397028897 281199975 /nfs/dbraw/zinc/19/99/75/281199975.db2.gz AKNJZPLQAYPUFO-AWEZNQCLSA-N 2 0 276.424 2.657 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397636509 281200997 /nfs/dbraw/zinc/20/09/97/281200997.db2.gz PURHZFSLOLIGMS-IXDOHACOSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398128150 281204767 /nfs/dbraw/zinc/20/47/67/281204767.db2.gz ICOPAQLHYHJVDT-VXGBXAGGSA-N 2 0 264.360 2.516 20 0 CFADRP CSc1ccc(OCC[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420371032 281219570 /nfs/dbraw/zinc/21/95/70/281219570.db2.gz WQRXTSGMTPHHDX-OAHLLOKOSA-N 2 0 294.464 2.765 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423011208 281223068 /nfs/dbraw/zinc/22/30/68/281223068.db2.gz AQOYLRXNOBLQDS-GRDNDAEWSA-N 2 0 260.425 2.996 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)CCC[NH3+] ZINC000423011937 281223398 /nfs/dbraw/zinc/22/33/98/281223398.db2.gz JQZGQPDNFMVYIG-GFCCVEGCSA-N 2 0 284.831 2.998 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(CC)CC ZINC000424375753 281227648 /nfs/dbraw/zinc/22/76/48/281227648.db2.gz NVNLIPNATRVTFS-KBUPBQIOSA-N 2 0 268.445 2.830 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435393125 281235005 /nfs/dbraw/zinc/23/50/05/281235005.db2.gz ZDONXOBPDVYWSS-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC([NH+]3CCCC3)CC2)CCO1 ZINC000356934295 281236868 /nfs/dbraw/zinc/23/68/68/281236868.db2.gz YOWVIVLIVNUWJA-WBVHZDCISA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)[NH+](CCCNC1CC[NH+](C2CC2)CC1)C(C)C ZINC000459447794 281263928 /nfs/dbraw/zinc/26/39/28/281263928.db2.gz VCDKENXBALPAHO-UHFFFAOYSA-N 2 0 281.488 2.712 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000514872163 281288463 /nfs/dbraw/zinc/28/84/63/281288463.db2.gz CEZNEDAGBHADLA-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527689974 281341949 /nfs/dbraw/zinc/34/19/49/281341949.db2.gz GQRVPLLIDVZGOU-QEJZJMRPSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527719239 281343577 /nfs/dbraw/zinc/34/35/77/281343577.db2.gz JWFXOSVQKURHAM-VDERGJSUSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C1 ZINC000423439483 281416685 /nfs/dbraw/zinc/41/66/85/281416685.db2.gz ADLQDIIISMYBSR-XQLPTFJDSA-N 2 0 261.413 2.742 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353407860 281493836 /nfs/dbraw/zinc/49/38/36/281493836.db2.gz SNZGREQYFBODPB-WLYUNCDWSA-N 2 0 261.413 2.913 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423449977 281515470 /nfs/dbraw/zinc/51/54/70/281515470.db2.gz GYOLKCHKYDGBMK-WDEREUQCSA-N 2 0 267.442 2.800 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000548881704 281806576 /nfs/dbraw/zinc/80/65/76/281806576.db2.gz VOIJUGHMBWLUFE-CGTJXYLNSA-N 2 0 288.435 2.905 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549040562 281810472 /nfs/dbraw/zinc/81/04/72/281810472.db2.gz BJSGWTZMALDMFU-IREHDKGXSA-N 2 0 292.467 2.533 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000310459741 281882359 /nfs/dbraw/zinc/88/23/59/281882359.db2.gz ANOVSXYCSVCNQW-ZJUUUORDSA-N 2 0 255.431 2.928 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000554373681 281890082 /nfs/dbraw/zinc/89/00/82/281890082.db2.gz KJBPJDYZEHJSQH-YQQAZPJKSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000557702849 281970277 /nfs/dbraw/zinc/97/02/77/281970277.db2.gz PXVXOFQKRSVAFP-GVDBMIGSSA-N 2 0 292.467 2.656 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000558699530 281992432 /nfs/dbraw/zinc/99/24/32/281992432.db2.gz OPLGGAYPQKCJKA-IRXDYDNUSA-N 2 0 299.478 2.522 20 0 CFADRP C[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000559145423 282001217 /nfs/dbraw/zinc/00/12/17/282001217.db2.gz KQUHACYTTVEOLX-KRWDZBQOSA-N 2 0 295.515 2.772 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000559792109 282009749 /nfs/dbraw/zinc/00/97/49/282009749.db2.gz CMBCZLOHDOTAHV-INIZCTEOSA-N 2 0 284.488 2.837 20 0 CFADRP C[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](C)C3)c2)C1 ZINC000560187036 282017665 /nfs/dbraw/zinc/01/76/65/282017665.db2.gz AOVZRLQHXLFIFE-HUUCEWRRSA-N 2 0 273.424 2.765 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000271900573 282042403 /nfs/dbraw/zinc/04/24/03/282042403.db2.gz VNRDHKMWVQLJTA-CYBMUJFWSA-N 2 0 277.437 2.680 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000561278486 282051753 /nfs/dbraw/zinc/05/17/53/282051753.db2.gz FCBIAEAYLADXQX-ZJPYXAASSA-N 2 0 294.483 2.638 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000561844594 282062622 /nfs/dbraw/zinc/06/26/22/282062622.db2.gz KQIQVNRNSZMTBS-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP CC[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+](CC)CC ZINC000562268488 282070076 /nfs/dbraw/zinc/07/00/76/282070076.db2.gz KZYWXEDGFLTENI-MRXNPFEDSA-N 2 0 291.439 2.807 20 0 CFADRP CC[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+](CC)CC ZINC000562268487 282070116 /nfs/dbraw/zinc/07/01/16/282070116.db2.gz KZYWXEDGFLTENI-INIZCTEOSA-N 2 0 291.439 2.807 20 0 CFADRP COCC[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000124503263 292673029 /nfs/dbraw/zinc/67/30/29/292673029.db2.gz AZXSLXDGMJNMFT-HNNXBMFYSA-N 2 0 256.434 2.657 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CC[NH2+]1 ZINC000423381658 288567763 /nfs/dbraw/zinc/56/77/63/288567763.db2.gz OKRLKOVIMCRZPQ-MBNYWOFBSA-N 2 0 262.422 2.954 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423449975 288630760 /nfs/dbraw/zinc/63/07/60/288630760.db2.gz GYOLKCHKYDGBMK-QWRGUYRKSA-N 2 0 267.442 2.800 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000421376893 289066255 /nfs/dbraw/zinc/06/62/55/289066255.db2.gz RDEWZWUKBJSLHF-POOIEITISA-N 2 0 294.361 2.559 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374384462 289304123 /nfs/dbraw/zinc/30/41/23/289304123.db2.gz IAYLRYQXSGOONB-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422837603 289309804 /nfs/dbraw/zinc/30/98/04/289309804.db2.gz MKOIVBOQJDGSML-NSNWQYSKSA-N 2 0 273.424 2.594 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@@H]1CCC(C)(C)C1 ZINC000368630117 289323709 /nfs/dbraw/zinc/32/37/09/289323709.db2.gz CQTNLQZBPKTXOT-FPCVCCKLSA-N 2 0 280.456 2.749 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C)(C)CC1 ZINC000349316881 289482869 /nfs/dbraw/zinc/48/28/69/289482869.db2.gz XCCXSUFZGOZQFB-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423143977 289773255 /nfs/dbraw/zinc/77/32/55/289773255.db2.gz FUHWAHPXXGSGMD-SDDRHHMPSA-N 2 0 250.411 2.591 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(O)(CCC)CCC)CC1 ZINC000152028018 289836311 /nfs/dbraw/zinc/83/63/11/289836311.db2.gz ORWQUBARXUSLKN-UHFFFAOYSA-N 2 0 270.461 2.782 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000312416978 289876938 /nfs/dbraw/zinc/87/69/38/289876938.db2.gz OKCFOOYHHOSVIX-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP CCC[NH+]1CCC(N(C)CC[NH+]2CCC(C)CC2)CC1 ZINC000153887930 289879721 /nfs/dbraw/zinc/87/97/21/289879721.db2.gz NVDAWPZLQZFUPS-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154435664 289894930 /nfs/dbraw/zinc/89/49/30/289894930.db2.gz TXGPUFLSVNVWDV-KRWDZBQOSA-N 2 0 289.467 2.673 20 0 CFADRP C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422834006 289938919 /nfs/dbraw/zinc/93/89/19/289938919.db2.gz HHXICIYRAALACF-WMLDXEAASA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000157362147 289953897 /nfs/dbraw/zinc/95/38/97/289953897.db2.gz RJFGZZQNDXKRCF-HZPDHXFCSA-N 2 0 278.444 2.516 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000420419226 289961261 /nfs/dbraw/zinc/96/12/61/289961261.db2.gz XKCXUESWICRFQJ-GJZGRUSLSA-N 2 0 260.425 2.942 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159060183 289986461 /nfs/dbraw/zinc/98/64/61/289986461.db2.gz SUJCUNCXHQJGJD-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(F)cc(F)c1 ZINC000423385058 290009286 /nfs/dbraw/zinc/00/92/86/290009286.db2.gz LKNVRTWCCILSNR-CUOATXAZSA-N 2 0 254.324 2.885 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cn1 ZINC000423547811 290024907 /nfs/dbraw/zinc/02/49/07/290024907.db2.gz QGRRFORYQIVCCV-KZVDOYCCSA-N 2 0 279.815 2.774 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccncc2C)[C@H](C)C1 ZINC000563061381 290099651 /nfs/dbraw/zinc/09/96/51/290099651.db2.gz HLQDVNXTMGOHAK-NVXWUHKLSA-N 2 0 275.440 2.595 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000563415161 290145893 /nfs/dbraw/zinc/14/58/93/290145893.db2.gz IPCFZEWDBGTDCX-UHFFFAOYSA-N 2 0 299.418 2.723 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CCN1CCOc1ccc(Cl)c(F)c1 ZINC000563630667 290165273 /nfs/dbraw/zinc/16/52/73/290165273.db2.gz WIILVGGHGPYJFZ-GHMZBOCLSA-N 2 0 286.778 2.670 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000563693802 290168564 /nfs/dbraw/zinc/16/85/64/290168564.db2.gz RISPVBBQHVBJSB-KZNAEPCWSA-N 3 0 295.515 2.961 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000564074214 290191349 /nfs/dbraw/zinc/19/13/49/290191349.db2.gz FCWOTTIHPVFHBX-LLVKDONJSA-N 2 0 272.339 2.938 20 0 CFADRP COc1ccc2c(c1)CCCN(C[C@H]([NH3+])CC(C)C)C2 ZINC000564186821 290195578 /nfs/dbraw/zinc/19/55/78/290195578.db2.gz DDAWOBZRCPTYQG-MRXNPFEDSA-N 2 0 276.424 2.817 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000564416133 290207795 /nfs/dbraw/zinc/20/77/95/290207795.db2.gz YUOYEEYONQWEFS-SJLPKXTDSA-N 2 0 293.499 2.596 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000564557279 290215135 /nfs/dbraw/zinc/21/51/35/290215135.db2.gz IZMAZZDSDPZQPX-ZDUSSCGKSA-N 2 0 295.402 2.521 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@H]2CCC[C@H]21 ZINC000353682566 290220726 /nfs/dbraw/zinc/22/07/26/290220726.db2.gz OHUMDAPDGQBBRD-ILOCAZANSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)c1[nH+]c(CNCC[N@@H+](C)C(C)C)c2ccccn21 ZINC000564731912 290228544 /nfs/dbraw/zinc/22/85/44/290228544.db2.gz MPQLTTHCOMTIMR-UHFFFAOYSA-N 2 0 288.439 2.888 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)C1 ZINC000564739906 290229070 /nfs/dbraw/zinc/22/90/70/290229070.db2.gz LOTVOJRQVGFLCL-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000564821941 290236023 /nfs/dbraw/zinc/23/60/23/290236023.db2.gz YLOBXXSBTMBLIK-CQSZACIVSA-N 2 0 264.413 2.604 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2n[nH]cc2c1 ZINC000564822773 290236687 /nfs/dbraw/zinc/23/66/87/290236687.db2.gz MGZJHXRTCCQSFG-SGMGOOAPSA-N 2 0 272.396 2.602 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cc1F ZINC000564823923 290237081 /nfs/dbraw/zinc/23/70/81/290237081.db2.gz PHPHVCFUIVEAPK-BDAKNGLRSA-N 2 0 289.192 2.804 20 0 CFADRP CC1CCC(O)(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000564850281 290240582 /nfs/dbraw/zinc/24/05/82/290240582.db2.gz RXCHWSBCTVLICW-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973351 290254128 /nfs/dbraw/zinc/25/41/28/290254128.db2.gz BIPKSUJBBXBFET-YOEHRIQHSA-N 3 0 275.440 2.546 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2O1 ZINC000565225816 290285661 /nfs/dbraw/zinc/28/56/61/290285661.db2.gz HLWDOKVCQMPPQZ-RGCMKSIDSA-N 2 0 260.381 2.758 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000565434946 290301760 /nfs/dbraw/zinc/30/17/60/290301760.db2.gz XAURXHRQPLGWKL-HUUCEWRRSA-N 2 0 274.408 2.586 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000565586512 290310910 /nfs/dbraw/zinc/31/09/10/290310910.db2.gz SCZBBEGDBPBMGF-AVVAGRPOSA-N 2 0 299.462 2.585 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC1CCCC1)C(C)(C)C ZINC000566115956 290349312 /nfs/dbraw/zinc/34/93/12/290349312.db2.gz MIGCEYJPWFGPSJ-CVEARBPZSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000566230207 290360906 /nfs/dbraw/zinc/36/09/06/290360906.db2.gz RBJFOAPCQIURCZ-WDEREUQCSA-N 2 0 272.339 2.546 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245855 290362022 /nfs/dbraw/zinc/36/20/22/290362022.db2.gz WMGLURMMPVXFQZ-CYBMUJFWSA-N 2 0 269.392 2.954 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000566411871 290380508 /nfs/dbraw/zinc/38/05/08/290380508.db2.gz MHAIMVJLFNCGLC-XUJVJEKNSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000566473864 290390419 /nfs/dbraw/zinc/39/04/19/290390419.db2.gz DUPCKEOYJQMAKA-CABCVRRESA-N 2 0 290.455 2.948 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000566475966 290391968 /nfs/dbraw/zinc/39/19/68/290391968.db2.gz RLDKCMQADJSERF-XNGJBWTFSA-N 2 0 273.424 2.790 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1F ZINC000566481187 290392584 /nfs/dbraw/zinc/39/25/84/290392584.db2.gz AZSLIXMKPVDHCG-MGPQQGTHSA-N 2 0 280.387 2.843 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000566480999 290392587 /nfs/dbraw/zinc/39/25/87/290392587.db2.gz DTFDUIVSGZSOFS-ZIAGYGMSSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCCCC1 ZINC000567639031 290480353 /nfs/dbraw/zinc/48/03/53/290480353.db2.gz LFXMBTWKUYUNJD-YESZJQIVSA-N 2 0 293.499 2.939 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568413113 290553253 /nfs/dbraw/zinc/55/32/53/290553253.db2.gz UYLFIZNPSXREBN-HUUCEWRRSA-N 2 0 264.438 2.909 20 0 CFADRP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000361968032 293094834 /nfs/dbraw/zinc/09/48/34/293094834.db2.gz YIZCUCXWGFNYAZ-SOUVJXGZSA-N 2 0 256.434 2.510 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000422821152 293096749 /nfs/dbraw/zinc/09/67/49/293096749.db2.gz UOYHHBSJOVRMOL-MELADBBJSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423124325 293097457 /nfs/dbraw/zinc/09/74/57/293097457.db2.gz OHXAAQDVGOMMNW-GXSJLCMTSA-N 2 0 288.844 2.732 20 0 CFADRP COC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCCC1 ZINC000446880865 293148069 /nfs/dbraw/zinc/14/80/69/293148069.db2.gz JQSZKULSBFHCBU-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)C(C)C ZINC000090586430 293151657 /nfs/dbraw/zinc/15/16/57/293151657.db2.gz VZDWRZBBBSKLDP-HOTGVXAUSA-N 2 0 270.461 2.615 20 0 CFADRP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CCCC1 ZINC000446746365 293152531 /nfs/dbraw/zinc/15/25/31/293152531.db2.gz UDPJHCVIONYTTA-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1nc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000420354392 293390160 /nfs/dbraw/zinc/39/01/60/293390160.db2.gz DBRFGCDRUGYVOF-DZGCQCFKSA-N 2 0 279.453 2.978 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C12CCC2 ZINC000359973072 294036754 /nfs/dbraw/zinc/03/67/54/294036754.db2.gz IBUIGZYPBUGEEM-NHOPFSRNSA-N 2 0 280.456 2.508 20 0 CFADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423299517 294116594 /nfs/dbraw/zinc/11/65/94/294116594.db2.gz CAIUJECFTCHCAZ-HIFRSBDPSA-N 2 0 264.800 2.785 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423359560 294484232 /nfs/dbraw/zinc/48/42/32/294484232.db2.gz DEDZYERFOKESHM-UKMLZYKCSA-N 2 0 262.397 2.622 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCC(C[NH+](C)C)CC3)C[C@H]2C1 ZINC000424303413 294677868 /nfs/dbraw/zinc/67/78/68/294677868.db2.gz NWHJJTVNMQSPLH-GEDVHDGZSA-N 2 0 294.483 2.900 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423466056 295215585 /nfs/dbraw/zinc/21/55/85/295215585.db2.gz SHIQDPGQCRMAJO-VWYURUKWSA-N 2 0 292.467 2.687 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000227137987 295255863 /nfs/dbraw/zinc/25/58/63/295255863.db2.gz RABLQRQQVBTCGN-BZSNNMDCSA-N 2 0 287.451 2.541 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000423498641 295259098 /nfs/dbraw/zinc/25/90/98/295259098.db2.gz HALXJRPREVUNTM-OSAQELSMSA-N 2 0 278.371 2.756 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH3+])CCCS2 ZINC000423310419 295274830 /nfs/dbraw/zinc/27/48/30/295274830.db2.gz RUBUPFMLNXFMFR-BXUZGUMPSA-N 2 0 280.437 2.807 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H](C)C3C[NH2+]C3)CCCC2)c1 ZINC000422887687 295291613 /nfs/dbraw/zinc/29/16/13/295291613.db2.gz LISVUPJSEGOFCN-AWEZNQCLSA-N 2 0 288.435 2.705 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000335516214 295296967 /nfs/dbraw/zinc/29/69/67/295296967.db2.gz JETBZHGEIYPCRV-IAGOWNOFSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000335516213 295332969 /nfs/dbraw/zinc/33/29/69/295332969.db2.gz JETBZHGEIYPCRV-DLBZAZTESA-N 2 0 279.472 2.643 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261595673 295365131 /nfs/dbraw/zinc/36/51/31/295365131.db2.gz IGLHBQBMJLJZEC-OWCLPIDISA-N 2 0 290.451 2.946 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423542412 295399954 /nfs/dbraw/zinc/39/99/54/295399954.db2.gz AYCYVOHZYBIPQL-ZDUSSCGKSA-N 2 0 260.381 2.656 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H](C)O1 ZINC000414260579 297255239 /nfs/dbraw/zinc/25/52/39/297255239.db2.gz GIDXOEVUNHNOEV-MCIONIFRSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]1C ZINC000423534265 297440914 /nfs/dbraw/zinc/44/09/14/297440914.db2.gz ZUAHVIZCCMHGNO-GHUWWKFUSA-N 2 0 262.441 2.774 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415032288 298362931 /nfs/dbraw/zinc/36/29/31/298362931.db2.gz ABQVQLPSBOLSLD-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346208683 298379338 /nfs/dbraw/zinc/37/93/38/298379338.db2.gz MLFDQKYHNOIQMH-UTUOFQBUSA-N 2 0 264.335 2.934 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415044487 298385228 /nfs/dbraw/zinc/38/52/28/298385228.db2.gz STAMFNJSTRHKNO-MXWKQRLJSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423147412 298886452 /nfs/dbraw/zinc/88/64/52/298886452.db2.gz RXQAAXGPKZYUAD-RWSFTLGLSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@H]2CCCC[C@H]12 ZINC000414719871 300265877 /nfs/dbraw/zinc/26/58/77/300265877.db2.gz ZZYPHVSMZCHONK-GCSSGZNBSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1C[N@@H+]([C@H]2CCC(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000368051266 300293300 /nfs/dbraw/zinc/29/33/00/300293300.db2.gz LNMNRGYFCMHUGW-RDJZCZTQSA-N 2 0 293.499 2.665 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422781072 301222419 /nfs/dbraw/zinc/22/24/19/301222419.db2.gz KFNKUVGGWBTLFM-IRXDYDNUSA-N 2 0 260.425 2.953 20 0 CFADRP FC1(F)CCC[C@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000334994974 303126007 /nfs/dbraw/zinc/12/60/07/303126007.db2.gz XFJMIBREBLKUKG-UONOGXRCSA-N 2 0 272.383 2.887 20 0 CFADRP Cc1c[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)cc1N ZINC000716242677 782065394 /nfs/dbraw/zinc/06/53/94/782065394.db2.gz FPVWIPQLHPNUQI-UHFFFAOYSA-N 2 0 282.391 2.516 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cccn2C)C1 ZINC000161665564 322355449 /nfs/dbraw/zinc/35/54/49/322355449.db2.gz GETOVPRWPLNMCV-IYBDPMFKSA-N 2 0 277.456 2.873 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000162534629 322366047 /nfs/dbraw/zinc/36/60/47/322366047.db2.gz YDEBIUNQTZXXCX-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP c1nn(-c2ccncc2)c2ncnc(NC3CCCCC3)c12 ZINC000162925529 322370164 /nfs/dbraw/zinc/37/01/64/322370164.db2.gz XKPIRTTVCPRSPI-UHFFFAOYSA-N 2 0 294.362 2.955 20 0 CFADRP COC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C(C)C ZINC000164640768 322383109 /nfs/dbraw/zinc/38/31/09/322383109.db2.gz MQOFKLPGSQXVCU-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000571633514 322590196 /nfs/dbraw/zinc/59/01/96/322590196.db2.gz BKOXJSXLIUTGLW-ZFWWWQNUSA-N 2 0 250.386 2.580 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000571862522 322598553 /nfs/dbraw/zinc/59/85/53/322598553.db2.gz HPNGPDJQTLWXKY-HIFRSBDPSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CO ZINC000572234207 322611382 /nfs/dbraw/zinc/61/13/82/322611382.db2.gz ILDVEGNCVCTXNR-YOEHRIQHSA-N 2 0 276.424 2.579 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cscn1 ZINC000573107981 322644604 /nfs/dbraw/zinc/64/46/04/322644604.db2.gz MFKBOPXDBBVBPL-UNXYVOJBSA-N 2 0 253.415 2.667 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000573445656 322656626 /nfs/dbraw/zinc/65/66/26/322656626.db2.gz PCRQMKWYKWQUOX-IUCAKERBSA-N 2 0 289.192 2.804 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000573488786 322658265 /nfs/dbraw/zinc/65/82/65/322658265.db2.gz CPPGYPNEKYZECB-KGLIPLIRSA-N 2 0 286.423 2.611 20 0 CFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000573798893 322669192 /nfs/dbraw/zinc/66/91/92/322669192.db2.gz STRJCKGACCZMOO-MRXNPFEDSA-N 2 0 289.423 2.738 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000575914152 322733949 /nfs/dbraw/zinc/73/39/49/322733949.db2.gz IXRWREJLTBCHMC-HRCADAONSA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C1(CC)CC ZINC000181392775 323810455 /nfs/dbraw/zinc/81/04/55/323810455.db2.gz FJITVZOCHHRDIN-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C12CCC2 ZINC000181860111 323830557 /nfs/dbraw/zinc/83/05/57/323830557.db2.gz MOWYINXQBBAODD-FXUDXRNXSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1c[nH+]ccc1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191981807 324056023 /nfs/dbraw/zinc/05/60/23/324056023.db2.gz JTXDHXJZZQEPME-HUUCEWRRSA-N 2 0 277.412 2.691 20 0 CFADRP c1cc2c(cc1C[NH+](CC1CC1)CC1CC1)C[NH2+]CC2 ZINC000211359406 324110940 /nfs/dbraw/zinc/11/09/40/324110940.db2.gz PNVMMUXWCIQDIM-UHFFFAOYSA-N 2 0 270.420 2.954 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)sc1C ZINC000347377828 324140895 /nfs/dbraw/zinc/14/08/95/324140895.db2.gz UOBIFJRCOLECHA-DOMZBBRYSA-N 2 0 295.496 2.876 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000347626842 324141432 /nfs/dbraw/zinc/14/14/32/324141432.db2.gz USLWXCCYWVEMNE-LVQVYYBASA-N 2 0 282.472 2.758 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(C)c1 ZINC000576597911 324636452 /nfs/dbraw/zinc/63/64/52/324636452.db2.gz BEFJCLWFELMFKC-HOTGVXAUSA-N 2 0 275.440 2.681 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000577633193 324761569 /nfs/dbraw/zinc/76/15/69/324761569.db2.gz CEHKAJNXBDVONT-GHMZBOCLSA-N 2 0 292.814 2.946 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000577851318 324787692 /nfs/dbraw/zinc/78/76/92/324787692.db2.gz SKYABGLRURTKMZ-XWLWVQCSSA-N 2 0 252.324 2.823 20 0 CFADRP CC1(C)Cc2occc2[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000578994643 324909109 /nfs/dbraw/zinc/90/91/09/324909109.db2.gz DZRRPDNQCYSIOC-AWEZNQCLSA-N 2 0 262.397 2.882 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cc3ccccc3o2)C1 ZINC000579494832 324956691 /nfs/dbraw/zinc/95/66/91/324956691.db2.gz CESUKNNWMLPEKV-UONOGXRCSA-N 2 0 258.365 2.835 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000579606455 324965728 /nfs/dbraw/zinc/96/57/28/324965728.db2.gz POWCXTWMTXFSDQ-YUTCNCBUSA-N 2 0 295.452 2.602 20 0 CFADRP CC1CCC(O)(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000580305451 325023371 /nfs/dbraw/zinc/02/33/71/325023371.db2.gz DRFZACGSAFFJQE-ISXOHVOVSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580311905 325024554 /nfs/dbraw/zinc/02/45/54/325024554.db2.gz WLDMBQBUWHWORP-KBAYOESNSA-N 2 0 272.436 2.797 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000580372512 325029680 /nfs/dbraw/zinc/02/96/80/325029680.db2.gz UHAQMERUCWKCPA-QZTJIDSGSA-N 2 0 272.436 2.864 20 0 CFADRP c1nc(-c2ccccc2)[nH]c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000580702132 325057232 /nfs/dbraw/zinc/05/72/32/325057232.db2.gz FNQYVLIEEQFCRQ-AWEZNQCLSA-N 2 0 284.407 2.556 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000580768433 325062246 /nfs/dbraw/zinc/06/22/46/325062246.db2.gz DYOIAISRRFDNFO-KGLIPLIRSA-N 2 0 252.427 2.930 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000580777183 325063514 /nfs/dbraw/zinc/06/35/14/325063514.db2.gz LUJLLCZKJMWWRB-DOTOQJQBSA-N 2 0 294.483 2.639 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000581011834 325082899 /nfs/dbraw/zinc/08/28/99/325082899.db2.gz KVCUAJYIJNUXRR-FPCVCCKLSA-N 2 0 250.430 2.744 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])CCO2 ZINC000581423584 325120109 /nfs/dbraw/zinc/12/01/09/325120109.db2.gz HTQYUUGKFGRMRR-KCXAZCMYSA-N 2 0 290.407 2.626 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000581498716 325127398 /nfs/dbraw/zinc/12/73/98/325127398.db2.gz HXIVDFRVMKCEAF-KGLIPLIRSA-N 2 0 274.408 2.586 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CCCCC2)n1 ZINC000582354553 325197958 /nfs/dbraw/zinc/19/79/58/325197958.db2.gz BZGMKAVVMSMJPP-HNNXBMFYSA-N 2 0 274.412 2.540 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1 ZINC000582546462 325213708 /nfs/dbraw/zinc/21/37/08/325213708.db2.gz SVALLDUFDPBILH-BPLDGKMQSA-N 2 0 278.827 2.985 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000582735699 325230283 /nfs/dbraw/zinc/23/02/83/325230283.db2.gz KTNBOQUURMBILY-WXHSDQCUSA-N 2 0 284.350 2.592 20 0 CFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000583263825 325273063 /nfs/dbraw/zinc/27/30/63/325273063.db2.gz VJKYOXWPJDDLGO-IAGOWNOFSA-N 2 0 258.409 2.995 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000583345071 325280002 /nfs/dbraw/zinc/28/00/02/325280002.db2.gz NRAXNMAARVFAHG-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000583450827 325288987 /nfs/dbraw/zinc/28/89/87/325288987.db2.gz BKYSVSPVQABIKZ-SOUVJXGZSA-N 2 0 282.815 2.887 20 0 CFADRP Cc1ncc(C[NH2+]C(C)(C)c2cccc(F)c2)n1C ZINC000583576179 325297848 /nfs/dbraw/zinc/29/78/48/325297848.db2.gz GTRJEZNSTMWKDK-UHFFFAOYSA-N 2 0 261.344 2.893 20 0 CFADRP CC(C)c1[nH+]c(CNCC2([NH+](C)C)CC2)c2ccccn21 ZINC000583876773 325316405 /nfs/dbraw/zinc/31/64/05/325316405.db2.gz GKRYMQVWKLCZPF-UHFFFAOYSA-N 2 0 286.423 2.642 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000583934875 325319951 /nfs/dbraw/zinc/31/99/51/325319951.db2.gz ZBNHDPLIVBJHQQ-GOSISDBHSA-N 2 0 266.388 2.792 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000584002091 325323784 /nfs/dbraw/zinc/32/37/84/325323784.db2.gz LWDKJFAWKWUCHX-AAEUAGOBSA-N 2 0 284.350 2.642 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCOCC1 ZINC000584028274 325325195 /nfs/dbraw/zinc/32/51/95/325325195.db2.gz DOZNLULEZZMQMA-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000584160137 325334677 /nfs/dbraw/zinc/33/46/77/325334677.db2.gz BQAVNWIXCNJBOW-RHSMWYFYSA-N 2 0 298.434 2.613 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OC(C)C ZINC000584166935 325335069 /nfs/dbraw/zinc/33/50/69/325335069.db2.gz RCHXZFSCGLKYTQ-QWHCGFSZSA-N 2 0 280.412 2.698 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000584361298 329102424 /nfs/dbraw/zinc/10/24/24/329102424.db2.gz KMMOZUKNYWSWPS-ILXRZTDVSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000584404632 329457944 /nfs/dbraw/zinc/45/79/44/329457944.db2.gz CWCSDHZUZROUPV-OAHLLOKOSA-N 2 0 298.434 2.582 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1Br ZINC000423167328 533715714 /nfs/dbraw/zinc/71/57/14/533715714.db2.gz SCIYRSIHDDGSDA-QWRGUYRKSA-N 2 0 285.229 2.973 20 0 CFADRP CC(C)[NH+](CCSC[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000191213475 519650407 /nfs/dbraw/zinc/65/04/07/519650407.db2.gz CXVCQXMBSXTUDA-CQSZACIVSA-N 2 0 258.475 2.790 20 0 CFADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000361284888 519684064 /nfs/dbraw/zinc/68/40/64/519684064.db2.gz FLWLFGRVUOQVPT-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)COCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000337308424 519754583 /nfs/dbraw/zinc/75/45/83/519754583.db2.gz XVORHZWUPMSAFU-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000422811730 500771077 /nfs/dbraw/zinc/77/10/77/500771077.db2.gz WKEGAZPRINDNGK-SJORKVTESA-N 2 0 281.488 2.891 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423176515 533753869 /nfs/dbraw/zinc/75/38/69/533753869.db2.gz GGHUDZUCDORFIS-ZFZWDLNGSA-N 2 0 274.408 2.529 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423177708 533755976 /nfs/dbraw/zinc/75/59/76/533755976.db2.gz HOJKPKBLBHPMJV-KCMWZYNZSA-N 2 0 288.435 2.776 20 0 CFADRP COc1cc(CC[NH2+]C2CCC(C[NH3+])CC2)ccc1Cl ZINC000423139584 533767380 /nfs/dbraw/zinc/76/73/80/533767380.db2.gz VPMWBFNHNUKUOX-UHFFFAOYSA-N 2 0 296.842 2.998 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1C ZINC000422776903 533769487 /nfs/dbraw/zinc/76/94/87/533769487.db2.gz FEWDXKSAANYYQX-XJKSGUPXSA-N 2 0 276.424 2.524 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccc1C ZINC000422791678 533770016 /nfs/dbraw/zinc/77/00/16/533770016.db2.gz WLFJFYQKZQNGKP-CVEARBPZSA-N 2 0 276.424 2.796 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423258010 533774527 /nfs/dbraw/zinc/77/45/27/533774527.db2.gz LFURZUGHAIGPKX-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423298280 533772011 /nfs/dbraw/zinc/77/20/11/533772011.db2.gz NXDQMNRERXXRPN-IUCAKERBSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422725908 533783168 /nfs/dbraw/zinc/78/31/68/533783168.db2.gz CMIQMVYHIPUMLS-YQQAZPJKSA-N 2 0 289.467 2.703 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422735764 533784497 /nfs/dbraw/zinc/78/44/97/533784497.db2.gz VEISYGRKYBHKNJ-BHYGNILZSA-N 2 0 289.467 2.833 20 0 CFADRP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1 ZINC000414710755 533788551 /nfs/dbraw/zinc/78/85/51/533788551.db2.gz SNIRNIPSCUBRMS-KBPBESRZSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422886579 533797608 /nfs/dbraw/zinc/79/76/08/533797608.db2.gz XBBSWENYEAMTRN-XMTFNYHQSA-N 3 0 295.515 2.994 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422699580 533805112 /nfs/dbraw/zinc/80/51/12/533805112.db2.gz DRRMPAZBWDWFIO-WMLDXEAASA-N 2 0 260.425 2.824 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1Oc2ccccc2[C@H]1C ZINC000422922120 533811568 /nfs/dbraw/zinc/81/15/68/533811568.db2.gz SADVHBIAODSPLB-NPRNKCGBSA-N 2 0 286.419 2.812 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2cccn2)cc1 ZINC000422813641 533812056 /nfs/dbraw/zinc/81/20/56/533812056.db2.gz YHRZJQORERNDRD-JTUUTPGSSA-N 2 0 296.418 2.806 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1Oc2ccccc2[C@H]1C ZINC000422922115 533813568 /nfs/dbraw/zinc/81/35/68/533813568.db2.gz SADVHBIAODSPLB-DTVLUZAHSA-N 2 0 286.419 2.812 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422761425 533831117 /nfs/dbraw/zinc/83/11/17/533831117.db2.gz MMKGRPRZUNAWJW-LTCOOKNTSA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H]([NH2+]CC1CC(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423103924 533838902 /nfs/dbraw/zinc/83/89/02/533838902.db2.gz AWVBXCMVRQNXNV-VFNXUKNFSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCN(C)c1ccccc1F ZINC000422720865 533845142 /nfs/dbraw/zinc/84/51/42/533845142.db2.gz TZYOINZYHBCNFW-CQSZACIVSA-N 2 0 281.419 2.759 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422770560 533845230 /nfs/dbraw/zinc/84/52/30/533845230.db2.gz QIYPBILCARZUEM-CYBMUJFWSA-N 2 0 264.388 2.964 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000422881544 533846436 /nfs/dbraw/zinc/84/64/36/533846436.db2.gz YWNWXLGEEFLAFH-HLLBOEOZSA-N 2 0 278.440 2.648 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423189117 533847018 /nfs/dbraw/zinc/84/70/18/533847018.db2.gz MINBBMQVYFVMFL-ZDUSSCGKSA-N 2 0 255.365 2.748 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423106917 533844387 /nfs/dbraw/zinc/84/43/87/533844387.db2.gz RRTOWAMASQSPRK-CYBMUJFWSA-N 2 0 259.397 2.818 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cccc(Cl)c1 ZINC000422759924 533844479 /nfs/dbraw/zinc/84/44/79/533844479.db2.gz KOZUATOOVFQYOW-GFCCVEGCSA-N 2 0 254.805 2.990 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cccc(F)c1F ZINC000422961761 533844883 /nfs/dbraw/zinc/84/48/83/533844883.db2.gz ZUEGLGCBNJSUOO-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCCOc1ccc(F)cc1 ZINC000422826847 533867823 /nfs/dbraw/zinc/86/78/23/533867823.db2.gz CVPQYMDRCLTXLQ-CYBMUJFWSA-N 2 0 268.376 2.702 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423254700 533868325 /nfs/dbraw/zinc/86/83/25/533868325.db2.gz ZERRKTLBALIGSM-JKSUJKDBSA-N 2 0 298.434 2.582 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc2ccccc2c1 ZINC000422815321 533868966 /nfs/dbraw/zinc/86/89/66/533868966.db2.gz XJJHQZSVHYSAQM-CQSZACIVSA-N 2 0 272.392 2.936 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000422925040 533869538 /nfs/dbraw/zinc/86/95/38/533869538.db2.gz UXWGGCNHTIHPKP-VXGBXAGGSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422890879 533870287 /nfs/dbraw/zinc/87/02/87/533870287.db2.gz JEQZTLQRPBIXIH-OAHLLOKOSA-N 2 0 290.455 2.679 20 0 CFADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414702881 533877477 /nfs/dbraw/zinc/87/74/77/533877477.db2.gz VLCGBQTXKAPXCA-DGCLKSJQSA-N 2 0 252.427 2.876 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414970641 533887108 /nfs/dbraw/zinc/88/71/08/533887108.db2.gz VOCYYYXTUDREIT-YESZJQIVSA-N 2 0 273.424 2.588 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414877783 533901361 /nfs/dbraw/zinc/90/13/61/533901361.db2.gz GKAUADGOCBWYRV-CYBMUJFWSA-N 2 0 255.365 2.576 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414892238 533902868 /nfs/dbraw/zinc/90/28/68/533902868.db2.gz WWWYPSYPBVVANX-LLVKDONJSA-N 2 0 261.394 2.637 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000423126855 533905586 /nfs/dbraw/zinc/90/55/86/533905586.db2.gz JDTPLHLFWDMVBN-RWMBFGLXSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000414857451 533918950 /nfs/dbraw/zinc/91/89/50/533918950.db2.gz PMVGIHWXTLCMNS-CMPLNLGQSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(F)cc(F)c1 ZINC000423385061 533983973 /nfs/dbraw/zinc/98/39/73/533983973.db2.gz LKNVRTWCCILSNR-QCZZGDTMSA-N 2 0 254.324 2.885 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000425365239 533988643 /nfs/dbraw/zinc/98/86/43/533988643.db2.gz YAHBLTQDJLDJBO-MELADBBJSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422812630 533994018 /nfs/dbraw/zinc/99/40/18/533994018.db2.gz YAGNPPGVNVXUAT-CGTJXYLNSA-N 2 0 287.451 2.554 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000425359378 533998872 /nfs/dbraw/zinc/99/88/72/533998872.db2.gz PTZBIBVHMHVWDW-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414698977 534018683 /nfs/dbraw/zinc/01/86/83/534018683.db2.gz DPMMVSDQHGXFMZ-HUUCEWRRSA-N 2 0 290.451 2.994 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000414900208 534064186 /nfs/dbraw/zinc/06/41/86/534064186.db2.gz IAAYUJCYXLXOGF-HNNXBMFYSA-N 2 0 250.361 2.613 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000414839610 534067903 /nfs/dbraw/zinc/06/79/03/534067903.db2.gz XXSLUAVBVLZJCL-ZDUSSCGKSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732041 534068454 /nfs/dbraw/zinc/06/84/54/534068454.db2.gz NDHZIWBSWDFJHY-CJNGLKHVSA-N 2 0 271.408 2.688 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422713303 534070370 /nfs/dbraw/zinc/07/03/70/534070370.db2.gz JJWCDLRYPUZTPS-DOMZBBRYSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423147991 534073679 /nfs/dbraw/zinc/07/36/79/534073679.db2.gz UFXUOABMMRAMPJ-UMVBOHGHSA-N 2 0 276.449 2.854 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CC[NH2+]1 ZINC000414696294 534077863 /nfs/dbraw/zinc/07/78/63/534077863.db2.gz PDWOSVBCTHUTQL-RDJZCZTQSA-N 2 0 298.434 2.800 20 0 CFADRP Cc1cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH]1 ZINC000423114360 534091344 /nfs/dbraw/zinc/09/13/44/534091344.db2.gz VIBZEKGBLDHKAN-XYPWUTKMSA-N 2 0 269.392 2.849 20 0 CFADRP C[C@H]1C[C@H](NCC2([NH3+])CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414882766 534111234 /nfs/dbraw/zinc/11/12/34/534111234.db2.gz UHUIETOGEGMOLG-DOTOQJQBSA-N 2 0 287.451 2.511 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425361575 534115840 /nfs/dbraw/zinc/11/58/40/534115840.db2.gz UGOYTOZJEHLIFI-CVEARBPZSA-N 2 0 291.464 2.782 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899088 534116762 /nfs/dbraw/zinc/11/67/62/534116762.db2.gz CDWIOAIHFHHRJP-WMLDXEAASA-N 2 0 276.424 2.606 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414845407 534117680 /nfs/dbraw/zinc/11/76/80/534117680.db2.gz DILCQYPJORDLPY-LZWOXQAQSA-N 2 0 276.424 2.604 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CC2)cc1 ZINC000423338292 534131079 /nfs/dbraw/zinc/13/10/79/534131079.db2.gz YRWGSTLDXCYICP-DLBZAZTESA-N 2 0 258.409 2.643 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422744101 534132219 /nfs/dbraw/zinc/13/22/19/534132219.db2.gz SHALONGNFKCARB-IDCNUPLLSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000414918768 534132459 /nfs/dbraw/zinc/13/24/59/534132459.db2.gz SUWJZCOYJWFIKF-KBAYOESNSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000164564726 534163592 /nfs/dbraw/zinc/16/35/92/534163592.db2.gz BEFUAZKOOAJIHK-CYBMUJFWSA-N 2 0 289.423 2.737 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422950658 534177406 /nfs/dbraw/zinc/17/74/06/534177406.db2.gz WJUUERHVVMUCPN-PRXAMGSTSA-N 2 0 290.407 2.624 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCCCCC1 ZINC000423198334 534177688 /nfs/dbraw/zinc/17/76/88/534177688.db2.gz FGZLSAPYYNFEBY-DOTOQJQBSA-N 2 0 289.467 2.586 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423096271 534200135 /nfs/dbraw/zinc/20/01/35/534200135.db2.gz OLIZLFADUVASOS-RYUDHWBXSA-N 2 0 252.427 2.666 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423094732 534200916 /nfs/dbraw/zinc/20/09/16/534200916.db2.gz KQCLNOXWPXYDQL-UKRRQHHQSA-N 2 0 264.438 2.668 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422862391 534209001 /nfs/dbraw/zinc/20/90/01/534209001.db2.gz NSBYEWWFLQXWHN-IXDOHACOSA-N 2 0 281.488 2.619 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CC[NH3+])s2)o1 ZINC000414882670 534218027 /nfs/dbraw/zinc/21/80/27/534218027.db2.gz MIEXNBWFIOSVPS-VIFPVBQESA-N 2 0 265.382 2.538 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])s2)o1 ZINC000414801105 534218140 /nfs/dbraw/zinc/21/81/40/534218140.db2.gz TUWFFAGXYOKRQI-WCQYABFASA-N 2 0 291.420 2.929 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])s2)o1 ZINC000414801100 534218615 /nfs/dbraw/zinc/21/86/15/534218615.db2.gz TUWFFAGXYOKRQI-AAEUAGOBSA-N 2 0 291.420 2.929 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416675 534259187 /nfs/dbraw/zinc/25/91/87/534259187.db2.gz DDPVYAQWNQFVRY-IHRRRGAJSA-N 2 0 250.386 2.565 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1([NH3+])CCC1 ZINC000423332742 534266383 /nfs/dbraw/zinc/26/63/83/534266383.db2.gz PHXXGICFKFMTRE-LBPRGKRZSA-N 2 0 258.365 2.835 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000125159326 517421281 /nfs/dbraw/zinc/42/12/81/517421281.db2.gz OEVTYRWTLGLIFU-ZACQAIPSSA-N 2 0 292.467 2.654 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(C)CCC2)C1 ZINC000432827375 536181810 /nfs/dbraw/zinc/18/18/10/536181810.db2.gz DNXNKWGFRHOVGC-HNNXBMFYSA-N 2 0 250.430 2.840 20 0 CFADRP Brc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000084386083 518210896 /nfs/dbraw/zinc/21/08/96/518210896.db2.gz AILRKIVAYBTXJI-VIFPVBQESA-N 2 0 289.242 2.600 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCOCC(C)C ZINC000422777932 534349744 /nfs/dbraw/zinc/34/97/44/534349744.db2.gz CYLQCEWPJXBITR-CYBMUJFWSA-N 2 0 279.428 2.562 20 0 CFADRP FC(F)(F)[C@@H](C[NH2+]C1CC[NH2+]CC1)Cc1ccccc1 ZINC000423124605 534409307 /nfs/dbraw/zinc/40/93/07/534409307.db2.gz OUQFEYPOXSUIAD-CYBMUJFWSA-N 2 0 286.341 2.749 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000361891081 519247706 /nfs/dbraw/zinc/24/77/06/519247706.db2.gz GXSKXMMJSQGYON-QGZVFWFLSA-N 2 0 290.451 2.820 20 0 CFADRP CC(C)(C[NH2+]C1CCSCC1)C[NH+]1CCCC1 ZINC000357865295 519265665 /nfs/dbraw/zinc/26/56/65/519265665.db2.gz CBDHUIBTKNTMQT-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000312163705 519309287 /nfs/dbraw/zinc/30/92/87/519309287.db2.gz WSGAZQHIEGIYCY-IRXDYDNUSA-N 2 0 283.504 2.530 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000227535751 519352696 /nfs/dbraw/zinc/35/26/96/519352696.db2.gz KAHYWBBZKBVBGH-KBRIMQKVSA-N 2 0 275.440 2.697 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000163576461 519653679 /nfs/dbraw/zinc/65/36/79/519653679.db2.gz IIHOZJJUYDQXRN-SJLPKXTDSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000245543334 519678036 /nfs/dbraw/zinc/67/80/36/519678036.db2.gz QRALMYYWSDYERX-HUUCEWRRSA-N 2 0 261.413 2.853 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC3(CCCC3)C2)CC1 ZINC000192749819 519681335 /nfs/dbraw/zinc/68/13/35/519681335.db2.gz WGIVURLMDGYMFM-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CC(C)CC[C@@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000361316589 519683707 /nfs/dbraw/zinc/68/37/07/519683707.db2.gz RKRLXCMBVNHJLW-QGZVFWFLSA-N 2 0 284.488 2.837 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CCC2 ZINC000423128298 534439956 /nfs/dbraw/zinc/43/99/56/534439956.db2.gz QAZIJBBFBDVXDI-XDKFSHSGSA-N 2 0 288.435 2.714 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](CCCC2CCOCC2)CC1 ZINC000361465251 519719253 /nfs/dbraw/zinc/71/92/53/519719253.db2.gz VDMXWCIVVZJXSE-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000414165114 534446575 /nfs/dbraw/zinc/44/65/75/534446575.db2.gz BOSUYJJFSJNSOX-RJFUSWPYSA-N 2 0 276.399 3.000 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414274242 534447203 /nfs/dbraw/zinc/44/72/03/534447203.db2.gz RLADRFVFWTXWIF-VNHYZAJKSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151143086 519762737 /nfs/dbraw/zinc/76/27/37/519762737.db2.gz QQIBMFJRJNMHNW-INIZCTEOSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[NH3+])CCCO2 ZINC000062660234 519840703 /nfs/dbraw/zinc/84/07/03/519840703.db2.gz MLZYJSFBFBKDCG-OAHLLOKOSA-N 2 0 262.397 2.962 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000094370364 519847275 /nfs/dbraw/zinc/84/72/75/519847275.db2.gz XAOFBPNODZDXNB-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000156949886 519861324 /nfs/dbraw/zinc/86/13/24/519861324.db2.gz KKUGSMOUMWWWNW-OLZOCXBDSA-N 2 0 281.469 2.881 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305372317 519886695 /nfs/dbraw/zinc/88/66/95/519886695.db2.gz XYKHXSKWBTVBIC-CABCVRRESA-N 2 0 268.445 2.534 20 0 CFADRP CCOCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309776060 519898502 /nfs/dbraw/zinc/89/85/02/519898502.db2.gz JALBMSNCADKMGA-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP CCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159037661 519912267 /nfs/dbraw/zinc/91/22/67/519912267.db2.gz FIJIFRYQXDFAQO-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)ccc2n1 ZINC000415051370 534470204 /nfs/dbraw/zinc/47/02/04/534470204.db2.gz ZHLXCRLQEYUFQZ-XJKSGUPXSA-N 2 0 269.392 2.760 20 0 CFADRP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422805470 534480864 /nfs/dbraw/zinc/48/08/64/534480864.db2.gz GYZBAPLQJJZERX-XYPWUTKMSA-N 2 0 256.393 2.591 20 0 CFADRP CC1(C)CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000336131664 520284156 /nfs/dbraw/zinc/28/41/56/520284156.db2.gz LSBCKMBSOIRKJK-JKSUJKDBSA-N 2 0 280.456 2.533 20 0 CFADRP c1ccc(COCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422840181 534488999 /nfs/dbraw/zinc/48/89/99/534488999.db2.gz SFMJYPJYFCNYLY-JWTNVVGKSA-N 2 0 288.435 2.856 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)C12CCCC2 ZINC000085678486 520573400 /nfs/dbraw/zinc/57/34/00/520573400.db2.gz MJTHOEOAUDJGFR-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361173706 520583928 /nfs/dbraw/zinc/58/39/28/520583928.db2.gz LISZHYPNBBKNMM-YESZJQIVSA-N 2 0 281.488 2.713 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000360883898 520591066 /nfs/dbraw/zinc/59/10/66/520591066.db2.gz OYUYBGKZLGMIBS-UHFFFAOYSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000365192141 520604131 /nfs/dbraw/zinc/60/41/31/520604131.db2.gz VKZKXRQZUUMJJE-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+](CC)CCCN1CC[N@H+](C)CC12CCCCC2 ZINC000191534212 520606579 /nfs/dbraw/zinc/60/65/79/520606579.db2.gz LUNUVLVMTAUGDH-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000361888172 520770591 /nfs/dbraw/zinc/77/05/91/520770591.db2.gz ICKVTEYLUXYZAR-MRXNPFEDSA-N 2 0 276.424 2.574 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000151784588 520772314 /nfs/dbraw/zinc/77/23/14/520772314.db2.gz VGCOPALAILETHH-GOSISDBHSA-N 2 0 290.451 2.822 20 0 CFADRP c1nc(C[NH2+]CC[C@H]2CC[NH2+]C2)sc1-c1ccccc1 ZINC000414825677 534528650 /nfs/dbraw/zinc/52/86/50/534528650.db2.gz CTTGRIJZKBUDEB-CYBMUJFWSA-N 2 0 287.432 2.899 20 0 CFADRP CCC[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000337318369 521039065 /nfs/dbraw/zinc/03/90/65/521039065.db2.gz MKVKAKGAECXEIG-INIZCTEOSA-N 2 0 281.488 2.665 20 0 CFADRP CCC(=O)CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365175098 521073900 /nfs/dbraw/zinc/07/39/00/521073900.db2.gz DMVQFMVQTHFZGC-AWEZNQCLSA-N 2 0 278.440 2.552 20 0 CFADRP CCC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccccc1 ZINC000233358635 521170973 /nfs/dbraw/zinc/17/09/73/521170973.db2.gz JNMMXXKDPVYDIT-HOTGVXAUSA-N 2 0 264.413 2.871 20 0 CFADRP CCC(CC)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355648054 521525799 /nfs/dbraw/zinc/52/57/99/521525799.db2.gz DDQHWCPZFFCTPT-UHFFFAOYSA-N 2 0 277.412 2.648 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000335188407 521570595 /nfs/dbraw/zinc/57/05/95/521570595.db2.gz FWYKQSJUHFUHFL-QGZVFWFLSA-N 2 0 291.483 2.587 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C=CCCC2)[C@@H](C)C1 ZINC000246289939 521707799 /nfs/dbraw/zinc/70/77/99/521707799.db2.gz CHABPLQKXBQHSB-BBWFWOEESA-N 2 0 280.456 2.822 20 0 CFADRP CC[N@@H+]1CC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000163216461 521717305 /nfs/dbraw/zinc/71/73/05/521717305.db2.gz YUNKCDFXPUYWET-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](CCC2CCCCC2)CC1 ZINC000361548479 521790908 /nfs/dbraw/zinc/79/09/08/521790908.db2.gz KHPLYDPEOVPEMR-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309901245 521795330 /nfs/dbraw/zinc/79/53/30/521795330.db2.gz OXZTUMZRQOCZJU-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000226745306 521795841 /nfs/dbraw/zinc/79/58/41/521795841.db2.gz UBIDUFTXXGRIKL-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000228722452 521886299 /nfs/dbraw/zinc/88/62/99/521886299.db2.gz OIBWWHGARDJIQR-BFYDXBDKSA-N 2 0 284.488 2.884 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309924227 521918676 /nfs/dbraw/zinc/91/86/76/521918676.db2.gz WWSWTUSOMKAQAQ-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414897784 534605639 /nfs/dbraw/zinc/60/56/39/534605639.db2.gz CSFFPAXITSWGKF-UHFFFAOYSA-N 2 0 294.292 2.595 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339408296 522091800 /nfs/dbraw/zinc/09/18/00/522091800.db2.gz XQYLIOLNMSNBMW-MRXNPFEDSA-N 2 0 276.424 2.777 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423196769 534615950 /nfs/dbraw/zinc/61/59/50/534615950.db2.gz WEKYZCHMLFJBHJ-CYBMUJFWSA-N 2 0 288.313 2.975 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CCCc2ccsc2)CC1 ZINC000420291466 534617754 /nfs/dbraw/zinc/61/77/54/534617754.db2.gz NQSYNBFWAZSNHX-UHFFFAOYSA-N 2 0 282.453 2.511 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H](C)c1ccccc1 ZINC000234719785 522288541 /nfs/dbraw/zinc/28/85/41/522288541.db2.gz SCALZUCMXIJINS-GDBMZVCRSA-N 2 0 264.413 2.524 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000234732150 522288894 /nfs/dbraw/zinc/28/88/94/522288894.db2.gz LAITVVMEBJZLRD-GFCCVEGCSA-N 2 0 290.329 2.549 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(OC)c1 ZINC000156675580 522350393 /nfs/dbraw/zinc/35/03/93/522350393.db2.gz MXZIVEOPEFSBCN-MRXNPFEDSA-N 2 0 280.412 2.509 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422782481 534634478 /nfs/dbraw/zinc/63/44/78/534634478.db2.gz NDAZGRWBNJSORO-DJIMGWMZSA-N 2 0 290.451 2.615 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2n1 ZINC000361691346 522478327 /nfs/dbraw/zinc/47/83/27/522478327.db2.gz CKDATGMOWGYRPL-XJKSGUPXSA-N 2 0 299.418 2.673 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475825 522516461 /nfs/dbraw/zinc/51/64/61/522516461.db2.gz BEXOSMBEZKXVET-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP COc1cc(F)cc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353626114 522594294 /nfs/dbraw/zinc/59/42/94/522594294.db2.gz XHBVAUVCOFCKBM-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP COC1(C[N@H+](C)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC000361491947 522599049 /nfs/dbraw/zinc/59/90/49/522599049.db2.gz BSCZLLOYQMJFLS-UHFFFAOYSA-N 2 0 268.445 2.750 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000157901176 522735551 /nfs/dbraw/zinc/73/55/51/522735551.db2.gz LSYZQMNBWZKFOA-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000340703760 522776848 /nfs/dbraw/zinc/77/68/48/522776848.db2.gz TWKLEJBOUPDWQR-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422944780 534664110 /nfs/dbraw/zinc/66/41/10/534664110.db2.gz STOTXFCLOVOWFM-NVXWUHKLSA-N 2 0 260.425 2.824 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C)cc1 ZINC000151797958 522823634 /nfs/dbraw/zinc/82/36/34/522823634.db2.gz UIYBRCIUJWPBRL-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP COCC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000361291279 522869797 /nfs/dbraw/zinc/86/97/97/522869797.db2.gz WULAVSVYNGZPCL-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000157449869 522870944 /nfs/dbraw/zinc/87/09/44/522870944.db2.gz MUIFGQQPNCDVOL-DLBZAZTESA-N 2 0 273.424 2.595 20 0 CFADRP C[N@H+](Cc1ccc2ccccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000231669644 523284685 /nfs/dbraw/zinc/28/46/85/523284685.db2.gz FEWYMYBHNPSOOW-INIZCTEOSA-N 2 0 269.392 2.809 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191637626 523442589 /nfs/dbraw/zinc/44/25/89/523442589.db2.gz NQLUNMXUUYPILD-KBPBESRZSA-N 2 0 268.445 2.797 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422931538 534715396 /nfs/dbraw/zinc/71/53/96/534715396.db2.gz XTSJOUYEFHCSBV-HZPDHXFCSA-N 2 0 258.409 2.869 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nccs2)C1 ZINC000163015830 523822883 /nfs/dbraw/zinc/82/28/83/523822883.db2.gz LGJNYYXOSIQWJU-UONOGXRCSA-N 2 0 279.453 2.807 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1ccccc1 ZINC000363425666 523981167 /nfs/dbraw/zinc/98/11/67/523981167.db2.gz FOYLGSQGHZHFCH-IAGOWNOFSA-N 2 0 269.392 2.797 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049554021 523984144 /nfs/dbraw/zinc/98/41/44/523984144.db2.gz CMUHRMJRWRJVTF-LSDHHAIUSA-N 2 0 278.440 2.946 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000459741340 536384477 /nfs/dbraw/zinc/38/44/77/536384477.db2.gz VKVRRNPXJRWJCR-LLVKDONJSA-N 2 0 256.777 2.755 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360778903 524017507 /nfs/dbraw/zinc/01/75/07/524017507.db2.gz YPODLCOQANGPDA-KURKYZTESA-N 2 0 281.403 2.749 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000151003812 524045650 /nfs/dbraw/zinc/04/56/50/524045650.db2.gz ATDATDOFGXFJKH-AWEZNQCLSA-N 2 0 293.455 2.519 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000311540589 524046977 /nfs/dbraw/zinc/04/69/77/524046977.db2.gz IZQRVKLWQNFZID-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000149228232 524047153 /nfs/dbraw/zinc/04/71/53/524047153.db2.gz VNDJTHQXQPBXAF-OAHLLOKOSA-N 2 0 264.388 2.990 20 0 CFADRP COc1cccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000049553172 524091470 /nfs/dbraw/zinc/09/14/70/524091470.db2.gz XDJHJANTMVULRH-CHWSQXEVSA-N 2 0 250.386 2.686 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000310017752 524136602 /nfs/dbraw/zinc/13/66/02/524136602.db2.gz PEHVLFWJOJTRHK-SOLBZPMBSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2ccccc12 ZINC000336818729 524136860 /nfs/dbraw/zinc/13/68/60/524136860.db2.gz WUDJBLFVJROYDP-CYBMUJFWSA-N 2 0 259.397 2.818 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000222912030 524167308 /nfs/dbraw/zinc/16/73/08/524167308.db2.gz NOUZSOWWCYMMOJ-CHWSQXEVSA-N 2 0 252.377 2.687 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC(OCCC[NH3+])CC2)cc1C ZINC000220327995 524260506 /nfs/dbraw/zinc/26/05/06/524260506.db2.gz VHAKFUBMFGMVJM-UHFFFAOYSA-N 2 0 290.451 2.942 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000246045229 524265088 /nfs/dbraw/zinc/26/50/88/524265088.db2.gz XOERMRBYJFNXIP-IAGOWNOFSA-N 2 0 292.471 2.763 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000309927571 524306597 /nfs/dbraw/zinc/30/65/97/524306597.db2.gz UMRKEFGERGZCOC-OAHLLOKOSA-N 2 0 284.403 2.950 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000155457278 524336850 /nfs/dbraw/zinc/33/68/50/524336850.db2.gz LUXLFPQJJYABQX-WBVHZDCISA-N 2 0 260.425 2.918 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)CCC[NH3+])c21 ZINC000422708614 534775918 /nfs/dbraw/zinc/77/59/18/534775918.db2.gz BZYCEDAJYRNMPC-ZDUSSCGKSA-N 2 0 259.397 2.736 20 0 CFADRP C[C@@H]1CCC[C@](CNC2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000314141132 524431129 /nfs/dbraw/zinc/43/11/29/524431129.db2.gz LLKOZDKBSAZMMO-QAPCUYQASA-N 2 0 293.499 2.713 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228203254 524445804 /nfs/dbraw/zinc/44/58/04/524445804.db2.gz DKXKBIUEYDMORC-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000312915849 524454034 /nfs/dbraw/zinc/45/40/34/524454034.db2.gz LNZSUJWZFMYWER-STQMWFEESA-N 2 0 278.396 2.626 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000235087568 524480801 /nfs/dbraw/zinc/48/08/01/524480801.db2.gz ICIQCQGJNJJKMB-QMMMGPOBSA-N 2 0 291.620 2.929 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000220515102 524481421 /nfs/dbraw/zinc/48/14/21/524481421.db2.gz IHMGEHBGHSBGGF-QMMMGPOBSA-N 2 0 291.620 2.929 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000360984134 524497139 /nfs/dbraw/zinc/49/71/39/524497139.db2.gz ZBKLMHKNBUTVRA-ZMSDIMECSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1n1ccnc1 ZINC000161954345 524503134 /nfs/dbraw/zinc/50/31/34/524503134.db2.gz SRBARAZSXLVZCC-SJORKVTESA-N 2 0 290.455 2.642 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1Br ZINC000220499640 524590323 /nfs/dbraw/zinc/59/03/23/524590323.db2.gz WEYYWKNVSLCCHX-JTQLQIEISA-N 2 0 271.202 2.584 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261995404 524614786 /nfs/dbraw/zinc/61/47/86/524614786.db2.gz STQYXQCLMSPTCH-KBPBESRZSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000066990218 524637204 /nfs/dbraw/zinc/63/72/04/524637204.db2.gz VYZJGPGRJDIQHW-GJZGRUSLSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162245098 524702289 /nfs/dbraw/zinc/70/22/89/524702289.db2.gz LSWLBZMHBGTWIV-ZBFHGGJFSA-N 2 0 276.424 2.739 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000227332456 524771871 /nfs/dbraw/zinc/77/18/71/524771871.db2.gz YWZZZVUZRIRHNS-IINYFYTJSA-N 2 0 252.427 2.937 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414803334 534808392 /nfs/dbraw/zinc/80/83/92/534808392.db2.gz NQRLXUOUXZZVJL-GDBMZVCRSA-N 2 0 292.471 2.862 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000168636113 524847814 /nfs/dbraw/zinc/84/78/14/524847814.db2.gz SEMZBOWFOUJEOZ-GXTWGEPZSA-N 2 0 271.364 2.511 20 0 CFADRP Cc1cc(Cl)ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000220328177 524884697 /nfs/dbraw/zinc/88/46/97/524884697.db2.gz LMGROQCZYNIJGJ-UHFFFAOYSA-N 2 0 296.842 2.978 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261542884 524885890 /nfs/dbraw/zinc/88/58/90/524885890.db2.gz RFITVFYZAKIYKD-AAEUAGOBSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000157082985 524898267 /nfs/dbraw/zinc/89/82/67/524898267.db2.gz MTBRQQBDBRJGLQ-DOMZBBRYSA-N 2 0 266.816 2.812 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229591497 524898537 /nfs/dbraw/zinc/89/85/37/524898537.db2.gz OKIKBMZRSREIFQ-DYVFJYSZSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000361024381 524920068 /nfs/dbraw/zinc/92/00/68/524920068.db2.gz XNZZCQKDHLMLGN-WMLDXEAASA-N 2 0 288.435 2.626 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000049155912 524939202 /nfs/dbraw/zinc/93/92/02/524939202.db2.gz BZNNVPQEOVUJMP-PRTUASRFSA-N 2 0 264.438 2.894 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261755433 524992994 /nfs/dbraw/zinc/99/29/94/524992994.db2.gz CLVARJNBACTFEQ-CHWSQXEVSA-N 2 0 264.388 2.988 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334853926 525140597 /nfs/dbraw/zinc/14/05/97/525140597.db2.gz JLQJYUMFPKLAJM-QZTJIDSGSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)CC[N@@H+]1C ZINC000151306183 525268418 /nfs/dbraw/zinc/26/84/18/525268418.db2.gz TXCRLVIMGAPUTL-QAPCUYQASA-N 2 0 298.434 2.504 20 0 CFADRP Cc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192759019 525302928 /nfs/dbraw/zinc/30/29/28/525302928.db2.gz NJUNUBGFRZMLTG-MQVJKMGUSA-N 2 0 274.408 2.589 20 0 CFADRP CSC1(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC1 ZINC000365660115 525306168 /nfs/dbraw/zinc/30/61/68/525306168.db2.gz DXAIQIRFCJCVMA-PBWFPOADSA-N 2 0 268.470 2.829 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000361889196 525318388 /nfs/dbraw/zinc/31/83/88/525318388.db2.gz OOGXYEIMGNTGFI-ZDUSSCGKSA-N 2 0 288.391 2.540 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361731144 525324146 /nfs/dbraw/zinc/32/41/46/525324146.db2.gz FRIWOLNLOCQXLK-BZUAXINKSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)COC2 ZINC000361174577 525325913 /nfs/dbraw/zinc/32/59/13/525325913.db2.gz ZTDSSAZDVVREMH-ZDUSSCGKSA-N 2 0 274.408 2.709 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1F ZINC000311144874 525334412 /nfs/dbraw/zinc/33/44/12/525334412.db2.gz LXFVNZLBPQCBSN-MNOVXSKESA-N 2 0 254.349 2.612 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000157959476 525334545 /nfs/dbraw/zinc/33/45/45/525334545.db2.gz ZDSYDLNGZLHCKQ-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C3CCOCC3)CC2)CC[NH2+]1 ZINC000335278781 525408289 /nfs/dbraw/zinc/40/82/89/525408289.db2.gz PDDQXGOQGDFHQS-HUUCEWRRSA-N 2 0 280.456 2.513 20 0 CFADRP CSCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193306704 525425957 /nfs/dbraw/zinc/42/59/57/525425957.db2.gz QTMSBQHGGNVZHM-AGUYFDCRSA-N 2 0 256.459 2.735 20 0 CFADRP CSCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246267720 525504508 /nfs/dbraw/zinc/50/45/08/525504508.db2.gz ALWYPLABTCGBTN-CABCVRRESA-N 2 0 270.486 2.936 20 0 CFADRP Cc1cc2cc(C[N@@H+]3CC[C@H](C[NH3+])C3)oc2cc1C ZINC000334841223 525638497 /nfs/dbraw/zinc/63/84/97/525638497.db2.gz LVDZHVOFLKWWDV-CYBMUJFWSA-N 2 0 258.365 2.830 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)ccc2[nH]1 ZINC000335011411 525641062 /nfs/dbraw/zinc/64/10/62/525641062.db2.gz RTYXURFWXZWNJP-MLGOLLRUSA-N 2 0 271.408 2.954 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000192878026 525905144 /nfs/dbraw/zinc/90/51/44/525905144.db2.gz FODFDIFOKFJCGG-OIYCOIKZSA-N 2 0 268.470 2.875 20 0 CFADRP Cc1cc(NC2CC[NH+](Cc3ccsc3)CC2)cc[nH+]1 ZINC000364903358 526111621 /nfs/dbraw/zinc/11/16/21/526111621.db2.gz CKVOXUIWQIEHOL-UHFFFAOYSA-N 2 0 287.432 2.950 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000334998443 526160921 /nfs/dbraw/zinc/16/09/21/526160921.db2.gz QOVNNIBZERFONT-DGCLKSJQSA-N 2 0 250.411 2.578 20 0 CFADRP CSc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334996191 526161830 /nfs/dbraw/zinc/16/18/30/526161830.db2.gz LNLNUEAFENTVPJ-UHFFFAOYSA-N 2 0 276.449 2.984 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000220517714 526165370 /nfs/dbraw/zinc/16/53/70/526165370.db2.gz YBOALZHQHVQCQG-JTQLQIEISA-N 2 0 271.202 2.584 20 0 CFADRP Fc1cccc(F)c1CC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000335007133 526394553 /nfs/dbraw/zinc/39/45/53/526394553.db2.gz FOUBYSSPHWXUHM-UHFFFAOYSA-N 2 0 294.389 2.971 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415003248 526421652 /nfs/dbraw/zinc/42/16/52/526421652.db2.gz FPDURYGBFGXEGR-LTIDMASMSA-N 2 0 262.441 2.933 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000422927279 526424381 /nfs/dbraw/zinc/42/43/81/526424381.db2.gz YOPDWZSHVIBXPI-TXTZMMAHSA-N 2 0 292.467 2.702 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000192928020 526469919 /nfs/dbraw/zinc/46/99/19/526469919.db2.gz FLPLXZOEQIMYPN-MSOLQXFVSA-N 2 0 286.419 2.791 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3ccncc3)C2)cc1 ZINC000076446112 526470526 /nfs/dbraw/zinc/47/05/26/526470526.db2.gz RVPKKDXFZVXMLC-SFHVURJKSA-N 2 0 281.403 2.693 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422750917 526683685 /nfs/dbraw/zinc/68/36/85/526683685.db2.gz APNNKEOQODIZHE-KBUPBQIOSA-N 2 0 268.445 2.545 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000261590797 526725114 /nfs/dbraw/zinc/72/51/14/526725114.db2.gz LMARJORYEPIEBN-MELADBBJSA-N 2 0 279.453 2.770 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000423317512 527080192 /nfs/dbraw/zinc/08/01/92/527080192.db2.gz BPZPTJCPTUZBEJ-DYVFJYSZSA-N 2 0 289.423 2.685 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000334867479 527142075 /nfs/dbraw/zinc/14/20/75/527142075.db2.gz XFHMOIWIUJRIKE-DCNYZXSGSA-N 2 0 296.361 2.654 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccn1 ZINC000423146968 527179365 /nfs/dbraw/zinc/17/93/65/527179365.db2.gz QVOWFVYUTWONQU-KBPBESRZSA-N 2 0 261.413 2.609 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000316517385 527181568 /nfs/dbraw/zinc/18/15/68/527181568.db2.gz XWJHDWYZAQQMLS-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422963227 527218095 /nfs/dbraw/zinc/21/80/95/527218095.db2.gz FIDPOSBBMMKBCC-GVDBMIGSSA-N 2 0 290.451 2.506 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013888 527341778 /nfs/dbraw/zinc/34/17/78/527341778.db2.gz DAFGVNNHMQOZPR-WBVHZDCISA-N 2 0 273.424 2.794 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCOc3ccccc3)C[C@@H]12 ZINC000339406437 527372738 /nfs/dbraw/zinc/37/27/38/527372738.db2.gz HYVUYGDCNNETPM-USXIJHARSA-N 2 0 274.408 2.515 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C[C@@H]1CCC[NH2+]1 ZINC000423481920 527485439 /nfs/dbraw/zinc/48/54/39/527485439.db2.gz ORSFQEPWHFXTLA-VVLHAWIVSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC=C(C)CC1 ZINC000335147829 527569197 /nfs/dbraw/zinc/56/91/97/527569197.db2.gz RIDFPRYGPXBTGM-UHFFFAOYSA-N 2 0 268.364 2.728 20 0 CFADRP CC(C)(C)C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423209812 527701923 /nfs/dbraw/zinc/70/19/23/527701923.db2.gz VVAMVGZUGLHCEL-KRWDZBQOSA-N 2 0 289.467 2.659 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422842664 527725304 /nfs/dbraw/zinc/72/53/04/527725304.db2.gz YUPNXTOTODYSRU-INIZCTEOSA-N 3 0 283.504 2.852 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000414079579 527744831 /nfs/dbraw/zinc/74/48/31/527744831.db2.gz TTWAFJPZHZAYQM-GJZGRUSLSA-N 2 0 276.424 2.996 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)ccc2O1 ZINC000442918683 527772436 /nfs/dbraw/zinc/77/24/36/527772436.db2.gz DFPIAAQCKHHWNJ-CQSZACIVSA-N 2 0 288.435 2.961 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000414816433 527798727 /nfs/dbraw/zinc/79/87/27/527798727.db2.gz WXHXVZNQQPPVHE-DOTOQJQBSA-N 2 0 281.488 2.619 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2([NH3+])CCC2)C[C@@H]1Oc1ccccc1 ZINC000423340543 527827793 /nfs/dbraw/zinc/82/77/93/527827793.db2.gz XJQMQDVAQORQCY-GJZGRUSLSA-N 2 0 274.408 2.704 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@@H]1OCc1ccccc1 ZINC000423311020 527870181 /nfs/dbraw/zinc/87/01/81/527870181.db2.gz BDEUGFQWSCIATK-ZACQAIPSSA-N 2 0 288.435 2.697 20 0 CFADRP CC(C)OCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173948999 527935269 /nfs/dbraw/zinc/93/52/69/527935269.db2.gz SJFDHYFTGRLAMM-OAHLLOKOSA-N 2 0 256.434 2.608 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1(CC)CC ZINC000422837791 527950208 /nfs/dbraw/zinc/95/02/08/527950208.db2.gz MUFASPZEWRXNJH-XUWVNRHRSA-N 2 0 282.472 2.948 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1(CC)CC ZINC000422837790 527950518 /nfs/dbraw/zinc/95/05/18/527950518.db2.gz MUFASPZEWRXNJH-LVQVYYBASA-N 2 0 282.472 2.948 20 0 CFADRP CC1(C[NH2+]CCCCOc2ccccc2)CC[NH2+]CC1 ZINC000414903746 527981306 /nfs/dbraw/zinc/98/13/06/527981306.db2.gz MDBXTALILVHQQZ-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC1(C[NH2+]Cc2nc3ccc(F)cc3s2)CC[NH2+]CC1 ZINC000414900196 527982743 /nfs/dbraw/zinc/98/27/43/527982743.db2.gz HYHDMOGVXDNKHS-UHFFFAOYSA-N 2 0 293.411 2.915 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423141916 527989866 /nfs/dbraw/zinc/98/98/66/527989866.db2.gz SJEJHISYPWQSCP-LTIDMASMSA-N 2 0 281.488 2.617 20 0 CFADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423178888 528047184 /nfs/dbraw/zinc/04/71/84/528047184.db2.gz LEMBNQNGLMRJIK-ZDUSSCGKSA-N 2 0 292.427 2.560 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827612 528049738 /nfs/dbraw/zinc/04/97/38/528049738.db2.gz SJZOSCLMSWXWFD-VNQPRFMTSA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422802038 528051098 /nfs/dbraw/zinc/05/10/98/528051098.db2.gz AQVNAONEZWZJKC-SOUVJXGZSA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423474520 528059759 /nfs/dbraw/zinc/05/97/59/528059759.db2.gz HLGVOQWDAWAHDF-RRFJBIMHSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423161011 528086786 /nfs/dbraw/zinc/08/67/86/528086786.db2.gz IIBLYAYNJPYNHK-SHUKQUCYSA-N 2 0 260.381 2.677 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423161012 528087607 /nfs/dbraw/zinc/08/76/07/528087607.db2.gz IIBLYAYNJPYNHK-VZAMPYOESA-N 2 0 260.381 2.677 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1(C)C ZINC000414198903 528099009 /nfs/dbraw/zinc/09/90/09/528099009.db2.gz YLKZLTOUOCKSFU-CABCVRRESA-N 2 0 273.380 2.628 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414051008 528118975 /nfs/dbraw/zinc/11/89/75/528118975.db2.gz IOPLKELPHVLUBH-KBPBESRZSA-N 2 0 266.433 2.581 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1(C)C ZINC000422756958 528131760 /nfs/dbraw/zinc/13/17/60/528131760.db2.gz CSBWGHIDVQNJKV-XUWVNRHRSA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1(C)C ZINC000422756956 528132463 /nfs/dbraw/zinc/13/24/63/528132463.db2.gz CSBWGHIDVQNJKV-LVQVYYBASA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000423233555 528144888 /nfs/dbraw/zinc/14/48/88/528144888.db2.gz DSCQFHMKSRMDLE-OLMNPRSZSA-N 2 0 289.467 2.740 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423233933 528145122 /nfs/dbraw/zinc/14/51/22/528145122.db2.gz FAXHREWKDBNPSY-SCLBCKFNSA-N 2 0 298.434 2.968 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414960783 528156394 /nfs/dbraw/zinc/15/63/94/528156394.db2.gz YKLLRAJITPSZQL-GDBMZVCRSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414855752 528162088 /nfs/dbraw/zinc/16/20/88/528162088.db2.gz NMSSVOHZCPCRPZ-GOEBONIOSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000414806513 528174124 /nfs/dbraw/zinc/17/41/24/528174124.db2.gz QOGKKVYSFWAHMU-DOTOQJQBSA-N 2 0 276.424 2.938 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+]CCCC[NH3+] ZINC000414914946 528178139 /nfs/dbraw/zinc/17/81/39/528178139.db2.gz YOAWPUAUIUWWFL-UHFFFAOYSA-N 2 0 256.777 2.567 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422744172 528184659 /nfs/dbraw/zinc/18/46/59/528184659.db2.gz VPPGWDZRIOFCKH-GDBMZVCRSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423226636 528207891 /nfs/dbraw/zinc/20/78/91/528207891.db2.gz RODGVPREHHPJAL-STQMWFEESA-N 2 0 250.386 2.862 20 0 CFADRP CC(C)c1cnc(C[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000414898092 528216536 /nfs/dbraw/zinc/21/65/36/528216536.db2.gz FYHNTBCOQSSBKM-UHFFFAOYSA-N 2 0 267.442 2.746 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423008640 528220257 /nfs/dbraw/zinc/22/02/57/528220257.db2.gz ATIUGZOQYUQRJO-UONOGXRCSA-N 2 0 258.475 2.743 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423299949 528224458 /nfs/dbraw/zinc/22/44/58/528224458.db2.gz QOOUAVGIFGOCKR-DOMZBBRYSA-N 2 0 250.386 2.721 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422873243 528246846 /nfs/dbraw/zinc/24/68/46/528246846.db2.gz KQXKYMVIOFZIBB-CYBMUJFWSA-N 2 0 250.386 2.611 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422712965 528257136 /nfs/dbraw/zinc/25/71/36/528257136.db2.gz JEIBRVOHFGASIU-CHWSQXEVSA-N 2 0 250.386 2.689 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000415003106 528276713 /nfs/dbraw/zinc/27/67/13/528276713.db2.gz WOGQHVDVSHHNFA-UKRRQHHQSA-N 2 0 292.423 2.701 20 0 CFADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC000422828625 528279383 /nfs/dbraw/zinc/27/93/83/528279383.db2.gz OOYJEBRQKIBNDN-WFVVYAPDSA-N 2 0 281.488 2.616 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OC(F)F ZINC000414888928 528283467 /nfs/dbraw/zinc/28/34/67/528283467.db2.gz SASVGDOPRZHWPD-SNVBAGLBSA-N 2 0 288.338 2.514 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000131488730 528291000 /nfs/dbraw/zinc/29/10/00/528291000.db2.gz ZLEJLRAWPYHVFA-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP CC(C)c1nc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cs1 ZINC000423250325 528312776 /nfs/dbraw/zinc/31/27/76/528312776.db2.gz QDFGUZTXKZVUOT-RYUDHWBXSA-N 2 0 267.442 2.917 20 0 CFADRP CC[NH2+]Cc1ccccc1NC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414859168 528357592 /nfs/dbraw/zinc/35/75/92/528357592.db2.gz ASBUAGQNQVSWEQ-UONOGXRCSA-N 2 0 261.413 2.596 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000414166154 528413506 /nfs/dbraw/zinc/41/35/06/528413506.db2.gz DMUVVNWNTSIZPG-YIDVYQOGSA-N 2 0 250.430 2.883 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OCC ZINC000414826621 528456372 /nfs/dbraw/zinc/45/63/72/528456372.db2.gz FVCACCFOIXLDSJ-CQSZACIVSA-N 2 0 292.423 2.573 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422744088 528469000 /nfs/dbraw/zinc/46/90/00/528469000.db2.gz SFQQIRXAYGPRMY-ZACQAIPSSA-N 2 0 281.488 2.891 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247077 528488332 /nfs/dbraw/zinc/48/83/32/528488332.db2.gz KQXHVFHZZNJASU-FUHWJXTLSA-N 2 0 290.451 2.817 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244801 528492418 /nfs/dbraw/zinc/49/24/18/528492418.db2.gz XTFYCPPNDQHTMZ-JKSUJKDBSA-N 2 0 264.388 2.734 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422811674 528498637 /nfs/dbraw/zinc/49/86/37/528498637.db2.gz VCDUSEGUNXWAAS-BSDSXHPESA-N 2 0 296.499 2.932 20 0 CFADRP CC[N@H+](CCN[C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000422875766 528517035 /nfs/dbraw/zinc/51/70/35/528517035.db2.gz DFLUUAXDAHXLDZ-HZPDHXFCSA-N 2 0 269.477 2.617 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000414831639 528518371 /nfs/dbraw/zinc/51/83/71/528518371.db2.gz CTMISWNXRYSSMK-GOSISDBHSA-N 2 0 289.467 2.614 20 0 CFADRP CC(C)C[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+](C)C ZINC000422820923 528530949 /nfs/dbraw/zinc/53/09/49/528530949.db2.gz SWPBENKOYXXWEW-NXHRZFHOSA-N 2 0 291.483 2.511 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000414732320 528554123 /nfs/dbraw/zinc/55/41/23/528554123.db2.gz IQFVZBUTDNZWPS-HOTGVXAUSA-N 2 0 295.858 2.660 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423127052 528569249 /nfs/dbraw/zinc/56/92/49/528569249.db2.gz SRGVYJRBRNOQDH-HOCLYGCPSA-N 2 0 278.440 2.597 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000422709529 528577367 /nfs/dbraw/zinc/57/73/67/528577367.db2.gz KOWXLBAPXCHWHZ-CHWSQXEVSA-N 2 0 252.406 2.632 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000414791505 528598574 /nfs/dbraw/zinc/59/85/74/528598574.db2.gz BJMFKYAFVLBKHC-IJEWVQPXSA-N 2 0 278.444 2.502 20 0 CFADRP CCCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OC ZINC000414908058 528624837 /nfs/dbraw/zinc/62/48/37/528624837.db2.gz NSMNRSMZAPTXCO-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423213987 528641658 /nfs/dbraw/zinc/64/16/58/528641658.db2.gz OBFGRXMMHDXWAW-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000422820836 528643011 /nfs/dbraw/zinc/64/30/11/528643011.db2.gz SNLWMRFBDZJTOH-CBBWQLFWSA-N 2 0 268.445 2.687 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000422817552 528643641 /nfs/dbraw/zinc/64/36/41/528643641.db2.gz HUDRHDJIKNDTEM-FXUDXRNXSA-N 2 0 282.472 2.948 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000422817553 528643706 /nfs/dbraw/zinc/64/37/06/528643706.db2.gz HUDRHDJIKNDTEM-LVQVYYBASA-N 2 0 282.472 2.948 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422874531 528656963 /nfs/dbraw/zinc/65/69/63/528656963.db2.gz AHJVXORCPDLVTQ-CZUORRHYSA-N 2 0 262.397 2.563 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422893876 528689646 /nfs/dbraw/zinc/68/96/46/528689646.db2.gz BELXDKUGVMALBJ-QWHCGFSZSA-N 2 0 250.386 2.691 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422779848 528690243 /nfs/dbraw/zinc/69/02/43/528690243.db2.gz JGTMLEKQLSRSSK-ZFWWWQNUSA-N 2 0 262.397 2.878 20 0 CFADRP CCCCOc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422892529 528695254 /nfs/dbraw/zinc/69/52/54/528695254.db2.gz NEXFQJOFMWUQOK-ZDUSSCGKSA-N 2 0 262.397 2.563 20 0 CFADRP CCCCOc1ncccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422966773 528710586 /nfs/dbraw/zinc/71/05/86/528710586.db2.gz APPXBUKQNIKGCN-UHFFFAOYSA-N 2 0 291.439 2.868 20 0 CFADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000414812391 528818417 /nfs/dbraw/zinc/81/84/17/528818417.db2.gz KWTWWJVTSROHFW-SFHVURJKSA-N 2 0 289.467 2.758 20 0 CFADRP CCC(CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+]1CCCC1 ZINC000422815076 528853846 /nfs/dbraw/zinc/85/38/46/528853846.db2.gz ASIYCERZLRBAGE-VJFUWPCTSA-N 3 0 295.515 2.994 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424083425 528857758 /nfs/dbraw/zinc/85/77/58/528857758.db2.gz XKFHFARDGKGWEJ-DOTOQJQBSA-N 2 0 297.487 2.554 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000414809377 528951169 /nfs/dbraw/zinc/95/11/69/528951169.db2.gz MIEDQDOITAXWIJ-INIZCTEOSA-N 2 0 296.430 2.880 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423300882 528957731 /nfs/dbraw/zinc/95/77/31/528957731.db2.gz SJAAQKXTXBLKHG-JQHSSLGASA-N 2 0 289.467 2.614 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414812649 528957869 /nfs/dbraw/zinc/95/78/69/528957869.db2.gz LDLSGFOCUPSSAV-GVDBMIGSSA-N 2 0 275.440 2.587 20 0 CFADRP CC[NH+]1CCC(Nc2ccc(C[NH+](C)C)cc2F)CC1 ZINC000414500035 528989105 /nfs/dbraw/zinc/98/91/05/528989105.db2.gz PKEHMIHYIAXNCX-UHFFFAOYSA-N 2 0 279.403 2.784 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCCCC1 ZINC000422968303 529014706 /nfs/dbraw/zinc/01/47/06/529014706.db2.gz WGIWDSHYSOLXAG-HOTGVXAUSA-N 2 0 269.477 2.604 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1cccnc1 ZINC000422839111 529016371 /nfs/dbraw/zinc/01/63/71/529016371.db2.gz ZFVASOMWWSKGJR-HYVNUMGLSA-N 2 0 275.440 2.799 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834119 529016488 /nfs/dbraw/zinc/01/64/88/529016488.db2.gz NIBMQGNPDDHLKM-KBMXLJTQSA-N 2 0 261.413 2.551 20 0 CFADRP CC(C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422961112 529017392 /nfs/dbraw/zinc/01/73/92/529017392.db2.gz ANEXELFMIPWCKZ-ULQDDVLXSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422739763 529025296 /nfs/dbraw/zinc/02/52/96/529025296.db2.gz LUFYIBVKDBEQSU-FHLIZLRMSA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414793636 529072763 /nfs/dbraw/zinc/07/27/63/529072763.db2.gz KZWDXDUZKIPQTL-BPQIPLTHSA-N 2 0 289.467 2.612 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423428450 529115727 /nfs/dbraw/zinc/11/57/27/529115727.db2.gz RFJHZYDCYVLRFY-YHUYYLMFSA-N 2 0 282.472 2.935 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1F ZINC000423406711 529157431 /nfs/dbraw/zinc/15/74/31/529157431.db2.gz LBXDVQOFMDRJGE-MRXNPFEDSA-N 2 0 294.414 2.883 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422779977 529162311 /nfs/dbraw/zinc/16/23/11/529162311.db2.gz CQCFPBWNXOHCDM-CVEARBPZSA-N 2 0 262.397 2.576 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423246031 529167836 /nfs/dbraw/zinc/16/78/36/529167836.db2.gz JQMRYMWHWKDCSD-SWLSCSKDSA-N 2 0 250.361 2.866 20 0 CFADRP CCc1cccc(Cl)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414826165 529171790 /nfs/dbraw/zinc/17/17/90/529171790.db2.gz DXAHSZQNNQGHMD-GFCCVEGCSA-N 2 0 266.816 2.992 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423296285 529172145 /nfs/dbraw/zinc/17/21/45/529172145.db2.gz GLHGBCFXUBVCBB-GXFFZTMASA-N 2 0 272.339 2.924 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903915 529173136 /nfs/dbraw/zinc/17/31/36/529173136.db2.gz MRYCCSKWLLXUCO-UHFFFAOYSA-N 2 0 264.388 2.867 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000423269895 529177877 /nfs/dbraw/zinc/17/78/77/529177877.db2.gz HGYAPHIUTZERKQ-IUODEOHRSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422948351 529305062 /nfs/dbraw/zinc/30/50/62/529305062.db2.gz REZABVASMASXSJ-KGLIPLIRSA-N 2 0 291.439 2.888 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427140045 529336832 /nfs/dbraw/zinc/33/68/32/529336832.db2.gz MXAJARJABWUJFW-PVAVHDDUSA-N 2 0 258.409 2.864 20 0 CFADRP CC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422965618 529369199 /nfs/dbraw/zinc/36/91/99/529369199.db2.gz OZDIACNPFFFHPE-BRSBDYLESA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447600643 534929236 /nfs/dbraw/zinc/92/92/36/534929236.db2.gz MRXWKYQGVYXHHF-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000459798733 535092401 /nfs/dbraw/zinc/09/24/01/535092401.db2.gz XVPZNDJWZNCEDO-CVEARBPZSA-N 2 0 292.471 2.717 20 0 CFADRP CCC[NH+]1CCC(CNc2cc[nH+]c(CC)c2)CC1 ZINC000450295641 535350963 /nfs/dbraw/zinc/35/09/63/535350963.db2.gz ZZVIEBXXWWYNCD-UHFFFAOYSA-N 2 0 261.413 2.600 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000453052225 535521928 /nfs/dbraw/zinc/52/19/28/535521928.db2.gz CCLAJDDBKDCHSM-HUUCEWRRSA-N 2 0 278.444 2.508 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000459810369 535702855 /nfs/dbraw/zinc/70/28/55/535702855.db2.gz TZAPTYBSOOQMAG-SFHVURJKSA-N 2 0 295.515 2.961 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443992314 535832115 /nfs/dbraw/zinc/83/21/15/535832115.db2.gz YXQBZDNBGGGAKX-UHFFFAOYSA-N 2 0 281.347 2.593 20 0 CFADRP CCc1cnc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459735084 536050272 /nfs/dbraw/zinc/05/02/72/536050272.db2.gz HNVGJSRZVNPFJU-LBPRGKRZSA-N 2 0 267.442 2.527 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445806720 536370265 /nfs/dbraw/zinc/37/02/65/536370265.db2.gz YWEGAAKYIVTUNZ-CVEARBPZSA-N 2 0 259.397 2.607 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000459741313 536384753 /nfs/dbraw/zinc/38/47/53/536384753.db2.gz VHWWWWVTKKTRFW-OAHLLOKOSA-N 2 0 298.434 2.898 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000459794369 536385563 /nfs/dbraw/zinc/38/55/63/536385563.db2.gz UNMLEUONONHRON-CABCVRRESA-N 2 0 297.446 2.957 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000342153609 536897734 /nfs/dbraw/zinc/89/77/34/536897734.db2.gz ZNTMFCGNMQRUEV-SWLSCSKDSA-N 2 0 292.423 2.585 20 0 CFADRP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000746429560 574148984 /nfs/dbraw/zinc/14/89/84/574148984.db2.gz MYQJOMAMSUQJJS-UHFFFAOYSA-N 2 0 297.402 2.803 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCN1CCC[C@H]1C)C2 ZINC000756037803 574205657 /nfs/dbraw/zinc/20/56/57/574205657.db2.gz UWHBRPBVDRDIEN-GDBMZVCRSA-N 2 0 288.435 2.626 20 0 CFADRP CCCC[C@H](CC)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415112259 574207915 /nfs/dbraw/zinc/20/79/15/574207915.db2.gz RWUVFPDAMXSTAD-GJZGRUSLSA-N 2 0 256.434 2.643 20 0 CFADRP [NH3+]CCC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000415114148 574208121 /nfs/dbraw/zinc/20/81/21/574208121.db2.gz COUKJQWWBJIMSP-MRXNPFEDSA-N 2 0 276.424 2.609 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000756136645 574212200 /nfs/dbraw/zinc/21/22/00/574212200.db2.gz ZDGDEQXVHVSGTH-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2nccc3ccccc32)CC1 ZINC000740898303 574273843 /nfs/dbraw/zinc/27/38/43/574273843.db2.gz SPDQBZCBJRYWEN-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)o1)C1CC[NH+](C)CC1 ZINC000396436472 574354725 /nfs/dbraw/zinc/35/47/25/574354725.db2.gz GKZKJXYXRSUMLU-JTQLQIEISA-N 2 0 256.777 2.753 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000396445369 574355287 /nfs/dbraw/zinc/35/52/87/574355287.db2.gz DFHFMDVTHPGQOG-KBMXLJTQSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000396455671 574355341 /nfs/dbraw/zinc/35/53/41/574355341.db2.gz MLANCEYEADEOEL-OCCSQVGLSA-N 2 0 268.445 2.652 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000743251382 574355898 /nfs/dbraw/zinc/35/58/98/574355898.db2.gz OTQGTDAJNGKLCC-INIZCTEOSA-N 2 0 296.842 2.837 20 0 CFADRP C[C@H]([NH3+])CN(C)CCOc1ccc(Cl)cc1Cl ZINC000310236742 618274234 /nfs/dbraw/zinc/27/42/34/618274234.db2.gz AZDZMACZWRSPTK-VIFPVBQESA-N 2 0 277.195 2.651 20 0 CFADRP COCCCC1(C[N@H+](C)CC2CC[NH+](C)CC2)CCC1 ZINC000891934099 617834269 /nfs/dbraw/zinc/83/42/69/617834269.db2.gz QPFRYCLUTIYYJF-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000051693571 618049202 /nfs/dbraw/zinc/04/92/02/618049202.db2.gz MIGFKPYWKMXLKT-GCVQQVDUSA-N 2 0 254.324 2.885 20 0 CFADRP CSC1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000235103902 618083164 /nfs/dbraw/zinc/08/31/64/618083164.db2.gz KJEIDKXIVFPQPA-OLZOCXBDSA-N 2 0 256.459 2.782 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])C12CCCC2 ZINC000843341819 617647479 /nfs/dbraw/zinc/64/74/79/617647479.db2.gz LKFSFGFPSOXWNP-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000891611515 617685175 /nfs/dbraw/zinc/68/51/75/617685175.db2.gz NKVQPADDYVNLIH-UHFFFAOYSA-N 2 0 287.451 2.734 20 0 CFADRP C[C@H]1Cc2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2O1 ZINC000891670495 617702413 /nfs/dbraw/zinc/70/24/13/617702413.db2.gz JVYJIIINKHVNTO-HOCLYGCPSA-N 2 0 288.435 2.784 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926253691 617779392 /nfs/dbraw/zinc/77/93/92/617779392.db2.gz UOXZHWGNRRHUOL-IHRRRGAJSA-N 2 0 264.413 2.822 20 0 CFADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)o1 ZINC000093089103 617837436 /nfs/dbraw/zinc/83/74/36/617837436.db2.gz IHRTYYPGGGHSCR-UHFFFAOYSA-N 2 0 250.386 2.670 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1=CCCC1 ZINC000308753801 617837543 /nfs/dbraw/zinc/83/75/43/617837543.db2.gz HJEXBXJWBCHEBZ-FHXAZYNBSA-N 2 0 260.425 2.709 20 0 CFADRP Cc1cccc2c1CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000891942675 617841318 /nfs/dbraw/zinc/84/13/18/617841318.db2.gz JLSUHGJSFIWPPA-UHFFFAOYSA-N 2 0 258.409 2.695 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926326631 617902728 /nfs/dbraw/zinc/90/27/28/617902728.db2.gz RYYYTVVCTMRLTP-RDJZCZTQSA-N 2 0 290.451 2.505 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)CO1 ZINC000926337268 617918479 /nfs/dbraw/zinc/91/84/79/617918479.db2.gz NDIBVOOZWHSRSW-CWJHNBGESA-N 2 0 278.440 2.551 20 0 CFADRP Cc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000892033487 617920225 /nfs/dbraw/zinc/92/02/25/617920225.db2.gz GBYCBLCRQPMQBE-KRWDZBQOSA-N 2 0 260.425 2.729 20 0 CFADRP C1CC1[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCOCC1 ZINC000926338257 617920496 /nfs/dbraw/zinc/92/04/96/617920496.db2.gz XNJPUYPNVOUNDA-DAWZGUTISA-N 2 0 292.467 2.798 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[NH2+]C(C)(C)C ZINC000934168371 617931354 /nfs/dbraw/zinc/93/13/54/617931354.db2.gz DNFJUADSJQBZSK-UHFFFAOYSA-N 2 0 291.439 2.773 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(F)c(C)c2)[C@@H](C)C1 ZINC000892106137 617952664 /nfs/dbraw/zinc/95/26/64/617952664.db2.gz RLUVOSFOQINZCC-ZFWWWQNUSA-N 2 0 279.403 2.691 20 0 CFADRP COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(C)c1 ZINC000892105031 617953091 /nfs/dbraw/zinc/95/30/91/617953091.db2.gz HOMCIHOKMDULKO-GOEBONIOSA-N 2 0 276.424 2.918 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cn(C)nc1C1CC1 ZINC000892114133 617958109 /nfs/dbraw/zinc/95/81/09/617958109.db2.gz LGRXRDPSGFILOC-INIZCTEOSA-N 2 0 290.455 2.604 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCOc2ccccc2C)CC1 ZINC000070189743 617975532 /nfs/dbraw/zinc/97/55/32/617975532.db2.gz JDXBICXBLVQMEN-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051693767 618048775 /nfs/dbraw/zinc/04/87/75/618048775.db2.gz QLVQBBZSPURJCM-PNESKVBLSA-N 2 0 278.396 2.624 20 0 CFADRP Cl/C=C\CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000255517836 618066824 /nfs/dbraw/zinc/06/68/24/618066824.db2.gz KLGQFRLCBZOMLT-QODTYMNWSA-N 2 0 254.805 2.688 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(CC2CCC2)c1 ZINC000934554182 618072015 /nfs/dbraw/zinc/07/20/15/618072015.db2.gz NUBXQOYOULSVPD-CQSZACIVSA-N 2 0 278.444 2.676 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245437 618102190 /nfs/dbraw/zinc/10/21/90/618102190.db2.gz YCYGEVRXDAPDEN-GHMZBOCLSA-N 2 0 270.323 2.630 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000261552016 618102706 /nfs/dbraw/zinc/10/27/06/618102706.db2.gz ZNAXXFIGUQWKQU-TZMCWYRMSA-N 2 0 250.361 2.551 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119581 618125832 /nfs/dbraw/zinc/12/58/32/618125832.db2.gz MPESUTQBVFVJIR-IVSAIRAKSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCSC1)C[NH+]1CCCCC1 ZINC000061588844 618136813 /nfs/dbraw/zinc/13/68/13/618136813.db2.gz SICOCDAPLKYVNR-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000235165818 618158617 /nfs/dbraw/zinc/15/86/17/618158617.db2.gz GSTJMNMUGWBXSK-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](CC[NH2+]C1CC2(C1)CO[C@H](C)C2)[NH+]1CCCCC1 ZINC000926141054 618170128 /nfs/dbraw/zinc/17/01/28/618170128.db2.gz FHZZPOKGUZJERB-NUWOQIAWSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093215313 618182572 /nfs/dbraw/zinc/18/25/72/618182572.db2.gz IAZRBPPIESDGKG-SOUVJXGZSA-N 2 0 262.397 2.622 20 0 CFADRP CC(C)[NH+](CCSCCC[NH+]1CCOCC1)C(C)C ZINC000160959624 618198112 /nfs/dbraw/zinc/19/81/12/618198112.db2.gz HCNUDZYZELQCHT-UHFFFAOYSA-N 2 0 288.501 2.561 20 0 CFADRP C[N@H+](CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1CC1 ZINC000926557722 618205710 /nfs/dbraw/zinc/20/57/10/618205710.db2.gz DKNWKJARHHFVDY-LQDVMPOASA-N 2 0 268.470 2.877 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CCCCO1 ZINC000925578884 618262820 /nfs/dbraw/zinc/26/28/20/618262820.db2.gz BSELRCFOCITGAV-WCVJEAGWSA-N 2 0 294.483 2.948 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC1(CO)CCCCC1)c1ccccc1 ZINC000925581335 618266217 /nfs/dbraw/zinc/26/62/17/618266217.db2.gz XHXJFIPGYLXGMU-KRWDZBQOSA-N 2 0 290.451 2.999 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2cccc(F)c2)C[C@@H]([NH3+])C1 ZINC000925586868 618272724 /nfs/dbraw/zinc/27/27/24/618272724.db2.gz UUISYYGMRBONIQ-KGLIPLIRSA-N 2 0 280.387 2.700 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000925602425 618289920 /nfs/dbraw/zinc/28/99/20/618289920.db2.gz SVRPYCKXZVOONL-IAGOWNOFSA-N 2 0 272.436 2.897 20 0 CFADRP Cc1ccnc(N)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000894058795 618296837 /nfs/dbraw/zinc/29/68/37/618296837.db2.gz YEABFGWZIIYQIM-UHFFFAOYSA-N 2 0 290.455 2.526 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Nc1ccccc1 ZINC000925607964 618297484 /nfs/dbraw/zinc/29/74/84/618297484.db2.gz DXDOHWIWRDJGDG-ULQDDVLXSA-N 2 0 287.451 2.983 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607514 618299155 /nfs/dbraw/zinc/29/91/55/618299155.db2.gz CFXLVHASYAEPPC-VHDGCEQUSA-N 2 0 276.424 2.819 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)C12CCC2 ZINC000925609844 618305749 /nfs/dbraw/zinc/30/57/49/618305749.db2.gz WKWQGXXDIVKVDF-IRXDYDNUSA-N 3 0 293.499 2.892 20 0 CFADRP C[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925612072 618310704 /nfs/dbraw/zinc/31/07/04/618310704.db2.gz HXEYFNDDORJACO-NJAFHUGGSA-N 2 0 293.499 2.619 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC2)C12CCC2 ZINC000925614536 618314655 /nfs/dbraw/zinc/31/46/55/618314655.db2.gz CEVZFEBEGKKEFK-HOTGVXAUSA-N 2 0 270.420 2.869 20 0 CFADRP COCCC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925615464 618318994 /nfs/dbraw/zinc/31/89/94/618318994.db2.gz HBQBCCHMKMMTCH-MRXNPFEDSA-N 2 0 276.424 2.873 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(OC)o1 ZINC000893321678 618339765 /nfs/dbraw/zinc/33/97/65/618339765.db2.gz GKMSXXYYHCRMKK-ZDUSSCGKSA-N 2 0 268.401 2.888 20 0 CFADRP Oc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925623337 618342480 /nfs/dbraw/zinc/34/24/80/618342480.db2.gz ULIHPRYWMKSLLU-ZWKOTPCHSA-N 2 0 288.435 2.693 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925624100 618345443 /nfs/dbraw/zinc/34/54/43/618345443.db2.gz VAFGAQVSJOJMKI-HOTGVXAUSA-N 2 0 283.504 2.991 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)C1 ZINC000925624180 618346691 /nfs/dbraw/zinc/34/66/91/618346691.db2.gz WAVVUPOQIQASTI-ZACQAIPSSA-N 2 0 290.451 2.996 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000894120301 618351859 /nfs/dbraw/zinc/35/18/59/618351859.db2.gz UUIDOJDKRYBHAI-MSOLQXFVSA-N 2 0 290.451 2.676 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000925629114 618356122 /nfs/dbraw/zinc/35/61/22/618356122.db2.gz LPIRNAJTXHCUAF-UGUYLWEFSA-N 2 0 280.456 2.830 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000236988949 618359534 /nfs/dbraw/zinc/35/95/34/618359534.db2.gz MLSIKSFCUIBNAI-JKSUJKDBSA-N 2 0 297.487 2.617 20 0 CFADRP Cc1cncc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925632046 618360538 /nfs/dbraw/zinc/36/05/38/618360538.db2.gz ZHOJDUXJSOPOMO-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000925114699 618363803 /nfs/dbraw/zinc/36/38/03/618363803.db2.gz RZVCYNXRWPPBTE-WBVHZDCISA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000925114694 618363867 /nfs/dbraw/zinc/36/38/67/618363867.db2.gz RZVCYNXRWPPBTE-RDJZCZTQSA-N 2 0 282.472 2.638 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925635080 618367348 /nfs/dbraw/zinc/36/73/48/618367348.db2.gz MHBKIGRAKFYLJY-YYIAUSFCSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925637436 618370302 /nfs/dbraw/zinc/37/03/02/618370302.db2.gz LDRREONPAWQFTA-LMSBXDPUSA-N 2 0 294.483 2.950 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925637844 618373972 /nfs/dbraw/zinc/37/39/72/618373972.db2.gz SZCYLGRPKGKBCL-INIZCTEOSA-N 2 0 291.414 2.892 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccccc1 ZINC000925640204 618376016 /nfs/dbraw/zinc/37/60/16/618376016.db2.gz GUUBDXPHFFZMPE-CVEARBPZSA-N 2 0 288.391 2.773 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000926675289 618398891 /nfs/dbraw/zinc/39/88/91/618398891.db2.gz GWFZLTFCDPOBMQ-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925649826 618400535 /nfs/dbraw/zinc/40/05/35/618400535.db2.gz OWEGUEOIXGNTTG-MRXNPFEDSA-N 2 0 278.440 2.997 20 0 CFADRP c1ccc(N2CCC[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925655821 618411775 /nfs/dbraw/zinc/41/17/75/618411775.db2.gz WPJSHBBTOYGLKG-WMZOPIPTSA-N 2 0 299.462 2.777 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)C1 ZINC000925660163 618420328 /nfs/dbraw/zinc/42/03/28/618420328.db2.gz PLAGGHIRZSHQQD-GDBMZVCRSA-N 2 0 287.451 2.956 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925664468 618429817 /nfs/dbraw/zinc/42/98/17/618429817.db2.gz FEXJMBIPXRJPPS-IXDOHACOSA-N 2 0 290.451 2.832 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925665280 618432121 /nfs/dbraw/zinc/43/21/21/618432121.db2.gz KWHQEMAHFJKUKU-ULQDDVLXSA-N 2 0 287.451 2.689 20 0 CFADRP Cc1ccnc(N)c1CNc1ccc(N2CCCCC2)cn1 ZINC000894198768 618438820 /nfs/dbraw/zinc/43/88/20/618438820.db2.gz BFBVFANRYUFQCE-UHFFFAOYSA-N 2 0 297.406 2.970 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H]1OCCc2sccc21 ZINC000925671518 618441732 /nfs/dbraw/zinc/44/17/32/618441732.db2.gz CWOVQUWPNLODHS-QOWREQOWSA-N 2 0 292.448 2.610 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925677929 618454830 /nfs/dbraw/zinc/45/48/30/618454830.db2.gz RIFJTLSFRNVJHC-VVLHAWIVSA-N 2 0 294.483 2.541 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925681412 618462056 /nfs/dbraw/zinc/46/20/56/618462056.db2.gz YYUGWHJDVIJUEL-WXRRBKDZSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@]1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(Cl)Cl ZINC000925681846 618463044 /nfs/dbraw/zinc/46/30/44/618463044.db2.gz QWPYYWTVLMIBSV-MPPDQPJWSA-N 2 0 291.266 2.937 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925682566 618465270 /nfs/dbraw/zinc/46/52/70/618465270.db2.gz CSSYQYCPKBMVNV-GJZGRUSLSA-N 2 0 275.440 2.818 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000893357020 618465646 /nfs/dbraw/zinc/46/56/46/618465646.db2.gz OJZKMDUHSNBBII-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c2ccccc2n1 ZINC000235964796 618467341 /nfs/dbraw/zinc/46/73/41/618467341.db2.gz CKBKLVYIGRIDHL-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2csc(C(F)(F)F)n2)C1 ZINC000895205588 618471273 /nfs/dbraw/zinc/47/12/73/618471273.db2.gz QESVPTVALPPZGA-WAAGHKOSSA-N 2 0 293.358 2.592 20 0 CFADRP CC(C)C[C@@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCC1 ZINC000066245093 618471440 /nfs/dbraw/zinc/47/14/40/618471440.db2.gz SIDDSLBJJNHAJX-HNNXBMFYSA-N 2 0 280.460 2.553 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000895209695 618472973 /nfs/dbraw/zinc/47/29/73/618472973.db2.gz YOOREPVKCCEGJW-CWRNSKLLSA-N 2 0 258.409 2.646 20 0 CFADRP C[C@H](CC[NH2+]C1CCc2ccccc2CC1)[NH+](C)C ZINC000895291735 618511562 /nfs/dbraw/zinc/51/15/62/618511562.db2.gz CEWGGVIRXGJEGV-CQSZACIVSA-N 2 0 260.425 2.864 20 0 CFADRP C[C@@H](CC[NH2+]C1CCc2ccccc2CC1)[NH+](C)C ZINC000895291734 618511812 /nfs/dbraw/zinc/51/18/12/618511812.db2.gz CEWGGVIRXGJEGV-AWEZNQCLSA-N 2 0 260.425 2.864 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1OC ZINC000895292337 618514777 /nfs/dbraw/zinc/51/47/77/618514777.db2.gz BJEPDZYGZNNFRN-KBPBESRZSA-N 2 0 294.439 2.565 20 0 CFADRP C[C@H](CC[NH2+]CCc1cccc(Cl)c1)[NH+](C)C ZINC000895293871 618516638 /nfs/dbraw/zinc/51/66/38/618516638.db2.gz SHMJYLJYIKFCAP-GFCCVEGCSA-N 2 0 254.805 2.812 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895296472 618517772 /nfs/dbraw/zinc/51/77/72/618517772.db2.gz LXHXLHBZDVUXDM-KGLIPLIRSA-N 2 0 288.439 2.814 20 0 CFADRP C[C@H](CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000895296197 618518153 /nfs/dbraw/zinc/51/81/53/618518153.db2.gz AJVKWHGYXPDLQN-JFIYKMOQSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H](CC[NH2+]C1CCC2(CCOCC2)CC1)[NH+](C)C ZINC000895297156 618518883 /nfs/dbraw/zinc/51/88/83/618518883.db2.gz TWJCPHQMLLYVNO-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 ZINC000895406832 618570626 /nfs/dbraw/zinc/57/06/26/618570626.db2.gz XQUSORKJMBPKDY-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC([C@@H]3CCCCO3)CC2)CC1 ZINC000895406122 618570630 /nfs/dbraw/zinc/57/06/30/618570630.db2.gz UFDIEGCVWQEPSM-KRWDZBQOSA-N 2 0 280.456 2.609 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000892588404 618644316 /nfs/dbraw/zinc/64/43/16/618644316.db2.gz GMKPPRRQQRLQOG-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000924580032 618660762 /nfs/dbraw/zinc/66/07/62/618660762.db2.gz OVMPOCLYAWJXNM-HOTGVXAUSA-N 2 0 290.451 2.769 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2c(C)noc2C)[C@H](C)C1 ZINC000166146862 618702892 /nfs/dbraw/zinc/70/28/92/618702892.db2.gz WJWVZPPZIABJAL-WBMJQRKESA-N 2 0 279.428 2.544 20 0 CFADRP CC(=O)OC[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000892697984 618717085 /nfs/dbraw/zinc/71/70/85/618717085.db2.gz XCGWAINMNKUJEM-AWEZNQCLSA-N 2 0 292.423 2.568 20 0 CFADRP CCCCOc1ncccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000892722394 618732564 /nfs/dbraw/zinc/73/25/64/618732564.db2.gz GBWKQEYNMYGJIW-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892744029 618738473 /nfs/dbraw/zinc/73/84/73/618738473.db2.gz ZFKAMKGMBVSZOZ-AWEZNQCLSA-N 2 0 282.378 2.829 20 0 CFADRP CC(C)Cc1ccc(CN[C@H](C)CC[NH+](C)C)cn1 ZINC000892763154 618743368 /nfs/dbraw/zinc/74/33/68/618743368.db2.gz JVTNHCCQADOCQY-CQSZACIVSA-N 2 0 263.429 2.710 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000924605456 618747772 /nfs/dbraw/zinc/74/77/72/618747772.db2.gz GLHKLULSCCLKDA-QZTJIDSGSA-N 2 0 288.435 2.797 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(N)[nH+]cc2Cl)C1 ZINC000892822720 618751545 /nfs/dbraw/zinc/75/15/45/618751545.db2.gz JXYQZUFXLUNWDI-VHSXEESVSA-N 2 0 268.792 2.602 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(F)cc2C)CC1 ZINC000892937783 618773536 /nfs/dbraw/zinc/77/35/36/618773536.db2.gz WICACYNPHUEUHN-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000892944255 618776608 /nfs/dbraw/zinc/77/66/08/618776608.db2.gz OBNKNWVWJHZWHU-UHFFFAOYSA-N 2 0 275.440 2.712 20 0 CFADRP Cc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)cc1C ZINC000892944569 618777260 /nfs/dbraw/zinc/77/72/60/618777260.db2.gz SIXDADAJUHNZIH-UHFFFAOYSA-N 2 0 260.425 2.777 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000892988951 618792196 /nfs/dbraw/zinc/79/21/96/618792196.db2.gz LGBAHXYSPZOLGA-UHFFFAOYSA-N 2 0 262.372 2.746 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000893069913 618819678 /nfs/dbraw/zinc/81/96/78/618819678.db2.gz UAMDYTUIROZAID-CYBMUJFWSA-N 2 0 280.387 2.524 20 0 CFADRP CC(C)OCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925503615 618829463 /nfs/dbraw/zinc/82/94/63/618829463.db2.gz IXANOCFZEBFHRX-INIZCTEOSA-N 2 0 264.413 2.871 20 0 CFADRP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925505392 618833760 /nfs/dbraw/zinc/83/37/60/618833760.db2.gz NTIZSGFVLWTVFN-HZPDHXFCSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000925506997 618836050 /nfs/dbraw/zinc/83/60/50/618836050.db2.gz XCZKWOXMTVNQAW-OAHLLOKOSA-N 2 0 275.371 2.580 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925507090 618836303 /nfs/dbraw/zinc/83/63/03/618836303.db2.gz ZQFOJIHCJPQHPB-KGLIPLIRSA-N 2 0 262.397 2.561 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510440 618848116 /nfs/dbraw/zinc/84/81/16/618848116.db2.gz WQGTZNKVMFCNAP-VNQPRFMTSA-N 2 0 276.399 2.734 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2cccs2)C1 ZINC000925510825 618848363 /nfs/dbraw/zinc/84/83/63/618848363.db2.gz ZUGQJVRNPRZUIM-RYUDHWBXSA-N 2 0 252.427 2.786 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000925512817 618851979 /nfs/dbraw/zinc/85/19/79/618851979.db2.gz CHNKQXFKQSXFKD-UONOGXRCSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@H](C[NH2+]Cc1cncc2ccccc21)C[NH+](C)C ZINC000312016832 618854658 /nfs/dbraw/zinc/85/46/58/618854658.db2.gz XQLJKVDSQWDFKO-CYBMUJFWSA-N 2 0 257.381 2.522 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925516656 618855783 /nfs/dbraw/zinc/85/57/83/618855783.db2.gz SMLNBSDJXPZKPN-KCPJHIHWSA-N 2 0 294.826 2.967 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000925519311 618857557 /nfs/dbraw/zinc/85/75/57/618857557.db2.gz MAMLLNNIUQMCSH-HOCLYGCPSA-N 2 0 275.440 2.539 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925518992 618857659 /nfs/dbraw/zinc/85/76/59/618857659.db2.gz ATWKMLULWHLGRB-VNQPRFMTSA-N 2 0 258.409 2.958 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COCC1CC1 ZINC000925519738 618857921 /nfs/dbraw/zinc/85/79/21/618857921.db2.gz NLLUFJHNBRIFAQ-IAGOWNOFSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)COCCC[NH2+][C@H](c1ccccc1)[C@@H](C)N ZINC000925522258 618861383 /nfs/dbraw/zinc/86/13/83/618861383.db2.gz YNFQFGURATXFBW-ZBFHGGJFSA-N 2 0 264.413 2.727 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930555386 618863150 /nfs/dbraw/zinc/86/31/50/618863150.db2.gz MUYIYMTYINZLMP-JKSUJKDBSA-N 2 0 278.440 2.506 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925525441 618869589 /nfs/dbraw/zinc/86/95/89/618869589.db2.gz CTNMVCAYSHGMMV-WCVJEAGWSA-N 2 0 282.472 2.804 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000925526762 618872697 /nfs/dbraw/zinc/87/26/97/618872697.db2.gz OTBRNYUAJOIYKO-KBPBESRZSA-N 2 0 250.361 2.821 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000925527456 618875056 /nfs/dbraw/zinc/87/50/56/618875056.db2.gz UQFLVVHLWRDZAG-QGPPMGRFSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000925528003 618876162 /nfs/dbraw/zinc/87/61/62/618876162.db2.gz CABZBXAMIZATRI-YOEHRIQHSA-N 2 0 279.472 2.514 20 0 CFADRP CO[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925528128 618876713 /nfs/dbraw/zinc/87/67/13/618876713.db2.gz SVMLMJBKQASEPG-CVEARBPZSA-N 2 0 264.413 2.727 20 0 CFADRP CO[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925528130 618877010 /nfs/dbraw/zinc/87/70/10/618877010.db2.gz SVMLMJBKQASEPG-HZPDHXFCSA-N 2 0 264.413 2.727 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC[C@H]1O ZINC000925532216 618885152 /nfs/dbraw/zinc/88/51/52/618885152.db2.gz VHTFVJPUZPVUFT-BSDSXHPESA-N 2 0 294.483 2.686 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925534945 618887725 /nfs/dbraw/zinc/88/77/25/618887725.db2.gz ALBUQEUJSRPDNB-CVEARBPZSA-N 2 0 293.480 2.752 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1(C)C ZINC000925539556 618897171 /nfs/dbraw/zinc/89/71/71/618897171.db2.gz CIIFXWUGJGPECW-FXUDXRNXSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925550027 618911400 /nfs/dbraw/zinc/91/14/00/618911400.db2.gz KFEYNBCEOVHTQB-ZOBUZTSGSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H]1CCCCN1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925552483 618914993 /nfs/dbraw/zinc/91/49/93/618914993.db2.gz XGAYFQOQVSXQGC-WMZOPIPTSA-N 2 0 289.467 2.931 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925554772 618918376 /nfs/dbraw/zinc/91/83/76/618918376.db2.gz AWIIGUADOZPXTF-SJORKVTESA-N 2 0 291.439 2.592 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000925554695 618918382 /nfs/dbraw/zinc/91/83/82/618918382.db2.gz AZHSZATZYRIEST-FGTMMUONSA-N 2 0 288.435 2.635 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925556265 618921172 /nfs/dbraw/zinc/92/11/72/618921172.db2.gz GRBNVAKYRRHOEZ-YVSFHVDLSA-N 3 0 293.499 2.604 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925563844 618927121 /nfs/dbraw/zinc/92/71/21/618927121.db2.gz WMMDTKOXYQGVOY-IRXDYDNUSA-N 2 0 273.424 2.648 20 0 CFADRP C[C@H](CC[NH2+]C[C@H]1CCC=CO1)[NH+]1CCCCC1 ZINC000194626089 618938540 /nfs/dbraw/zinc/93/85/40/618938540.db2.gz RFNCYMWWTTZGRB-HUUCEWRRSA-N 2 0 252.402 2.533 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC(F)(F)F ZINC000925695962 618947578 /nfs/dbraw/zinc/94/75/78/618947578.db2.gz IXPCHIJDZIOQDB-GHMZBOCLSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F)[NH2+]2 ZINC000925698000 618951320 /nfs/dbraw/zinc/95/13/20/618951320.db2.gz ZWILBNWNYKYCCL-HCYUZWBESA-N 2 0 274.383 2.800 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C12CCC2 ZINC000925701936 618955012 /nfs/dbraw/zinc/95/50/12/618955012.db2.gz ILAPQADWDDXIKC-HBNTYKKESA-N 2 0 277.239 2.820 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000925704798 618958575 /nfs/dbraw/zinc/95/85/75/618958575.db2.gz FIOJCYPXWJYSOS-OWCLPIDISA-N 2 0 293.499 2.889 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925706795 618960932 /nfs/dbraw/zinc/96/09/32/618960932.db2.gz KNDHNICNYPOXNV-GJZGRUSLSA-N 2 0 261.413 2.573 20 0 CFADRP C[C@@H]1SCC[C@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925706367 618960963 /nfs/dbraw/zinc/96/09/63/618960963.db2.gz CODINBZEMIBVRJ-NWANDNLSSA-N 2 0 264.438 2.950 20 0 CFADRP c1cc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)co1 ZINC000925707407 618962084 /nfs/dbraw/zinc/96/20/84/618962084.db2.gz ITJBCUMVNQRFDD-CVEARBPZSA-N 2 0 262.397 2.580 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ccccc1 ZINC000925708321 618962798 /nfs/dbraw/zinc/96/27/98/618962798.db2.gz KUXBPIQFKHDSMO-OCVGTWLNSA-N 2 0 262.397 2.622 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925708971 618963480 /nfs/dbraw/zinc/96/34/80/618963480.db2.gz MHIJJPZLASFDNA-SJORKVTESA-N 2 0 283.419 2.580 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCCO1 ZINC000925709887 618963812 /nfs/dbraw/zinc/96/38/12/618963812.db2.gz AJKHRQSEQGLUKP-KBXIAJHMSA-N 2 0 268.445 2.830 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893400511 618968368 /nfs/dbraw/zinc/96/83/68/618968368.db2.gz FMGLPXJFJVTNAS-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2noc3ccccc23)C1 ZINC000925714065 618969169 /nfs/dbraw/zinc/96/91/69/618969169.db2.gz NMNCYWJJBLZPMH-STQMWFEESA-N 2 0 287.407 2.866 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925714059 618969388 /nfs/dbraw/zinc/96/93/88/618969388.db2.gz NJMZZOXMIKNAKO-LSDHHAIUSA-N 2 0 281.488 2.699 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[C@H]([NH3+])C12CCC2)C1CCCCC1 ZINC000925714218 618969897 /nfs/dbraw/zinc/96/98/97/618969897.db2.gz XDEMVEGVPFOQJY-DLBZAZTESA-N 2 0 293.499 2.891 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CC(F)(F)F ZINC000925715647 618972891 /nfs/dbraw/zinc/97/28/91/618972891.db2.gz GJODZBMFHZLIGN-RNWYCLNJSA-N 2 0 276.346 2.551 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C12CCC2 ZINC000925721464 618980230 /nfs/dbraw/zinc/98/02/30/618980230.db2.gz CIQVSXVLZMPLQG-YVSFHVDLSA-N 2 0 286.419 2.624 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C12CCC2 ZINC000925721458 618980385 /nfs/dbraw/zinc/98/03/85/618980385.db2.gz CIQVSXVLZMPLQG-HZMVEIRTSA-N 2 0 286.419 2.624 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)C1([C@@H]2CCCCO2)CCC1 ZINC000925722258 618983816 /nfs/dbraw/zinc/98/38/16/618983816.db2.gz KIYKTRWJBYSFEP-CVEARBPZSA-N 2 0 292.467 2.990 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000893469060 619010035 /nfs/dbraw/zinc/01/00/35/619010035.db2.gz UMUWOUOEIUHEAT-UHFFFAOYSA-N 2 0 282.378 2.829 20 0 CFADRP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893479683 619014330 /nfs/dbraw/zinc/01/43/30/619014330.db2.gz YILZIKODNOKTOJ-YPMHNXCESA-N 2 0 278.362 2.991 20 0 CFADRP c1cncc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093489771 619030325 /nfs/dbraw/zinc/03/03/25/619030325.db2.gz HQIMLSFYYJUQEA-YESZJQIVSA-N 2 0 273.424 2.525 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2([C@H]3CCCCO3)CCC2)C[C@@H]([NH3+])C1 ZINC000925730245 619030876 /nfs/dbraw/zinc/03/08/76/619030876.db2.gz VEYJNUHDBQFQJH-QLFBSQMISA-N 2 0 280.456 2.974 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000094275107 619035421 /nfs/dbraw/zinc/03/54/21/619035421.db2.gz PHZIRUWBCUKYLJ-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925731496 619037875 /nfs/dbraw/zinc/03/78/75/619037875.db2.gz SUKVYIRGGMAARV-KRWDZBQOSA-N 2 0 287.382 2.978 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC(C)(C)[NH3+])cnn1-c1ccccc1 ZINC000925742187 619051493 /nfs/dbraw/zinc/05/14/93/619051493.db2.gz ZGCPVGVIPLJBGQ-ZDUSSCGKSA-N 2 0 286.423 2.959 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2ccccc2CC[C@H]1F ZINC000925771141 619083771 /nfs/dbraw/zinc/08/37/71/619083771.db2.gz MRIQVKFIMUTYAU-UOVKNHIHSA-N 2 0 250.361 2.727 20 0 CFADRP CC[C@@H](CC(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000893597826 619084815 /nfs/dbraw/zinc/08/48/15/619084815.db2.gz OJVCVQFZTJGIMF-NSHDSACASA-N 2 0 252.324 2.649 20 0 CFADRP CC[C@@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893598031 619085004 /nfs/dbraw/zinc/08/50/04/619085004.db2.gz QYIBZMNPODIGGF-YEJSDXFRSA-N 2 0 264.335 2.932 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925773181 619089066 /nfs/dbraw/zinc/08/90/66/619089066.db2.gz MGFJWEAXMVFYHS-TWMKSMIVSA-N 2 0 280.456 2.989 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775242 619094016 /nfs/dbraw/zinc/09/40/16/619094016.db2.gz PCMKXNXMOLNIFX-USXIJHARSA-N 2 0 290.451 2.740 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000925776191 619097183 /nfs/dbraw/zinc/09/71/83/619097183.db2.gz JPWYLLDZLLMWCH-STQMWFEESA-N 2 0 272.383 2.934 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000925776877 619097888 /nfs/dbraw/zinc/09/78/88/619097888.db2.gz NDNFIUQBUCWZPE-JKSUJKDBSA-N 2 0 294.389 2.768 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000925776915 619098599 /nfs/dbraw/zinc/09/85/99/619098599.db2.gz AXKMVIUYQHPDEN-HIFRSBDPSA-N 2 0 280.362 2.898 20 0 CFADRP CC(C)N(C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094372109 619106537 /nfs/dbraw/zinc/10/65/37/619106537.db2.gz FAIHUCSOEULIOL-HNNXBMFYSA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)c1OC ZINC000925785762 619110743 /nfs/dbraw/zinc/11/07/43/619110743.db2.gz OVXNWQRWIRPGPQ-BNOWGMLFSA-N 2 0 292.423 2.518 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000925792204 619117163 /nfs/dbraw/zinc/11/71/63/619117163.db2.gz VCGCEEQOBIZQIR-MDZLAQPJSA-N 2 0 250.411 2.571 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810365 619129042 /nfs/dbraw/zinc/12/90/42/619129042.db2.gz ZQVQIXNCSZHUBL-IRXDYDNUSA-N 3 0 281.488 2.796 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522039 619131649 /nfs/dbraw/zinc/13/16/49/619131649.db2.gz SBCDJYIQGCREFU-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925815990 619134874 /nfs/dbraw/zinc/13/48/74/619134874.db2.gz VLDFRXROGSJZAA-GOSISDBHSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925823549 619144161 /nfs/dbraw/zinc/14/41/61/619144161.db2.gz OFDAACQUMJKGGS-SOEBMCCKSA-N 3 0 279.472 2.514 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893684322 619155935 /nfs/dbraw/zinc/15/59/35/619155935.db2.gz AUEUINFAYDOCSX-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CCc1cnc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000925829778 619160881 /nfs/dbraw/zinc/16/08/81/619160881.db2.gz BCDOKYFLHHKVCT-YOEHRIQHSA-N 2 0 283.419 2.755 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925829807 619161103 /nfs/dbraw/zinc/16/11/03/619161103.db2.gz BTVSUZCCROMREP-AEFFLSMTSA-N 2 0 283.419 2.884 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925833666 619164903 /nfs/dbraw/zinc/16/49/03/619164903.db2.gz VLZQIFADZFHUKH-ZMPRINOKSA-N 2 0 276.346 2.680 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000925834525 619165791 /nfs/dbraw/zinc/16/57/91/619165791.db2.gz ISOSHBJAJYXYKT-KGLIPLIRSA-N 2 0 264.438 2.811 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccsc1 ZINC000261570347 619171251 /nfs/dbraw/zinc/17/12/51/619171251.db2.gz OQUKINDPMJDGNT-YUELXQCFSA-N 2 0 282.453 2.682 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CC2 ZINC000925839283 619171791 /nfs/dbraw/zinc/17/17/91/619171791.db2.gz BMGVTISTMOBHDF-RCCFBDPRSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000261565602 619171907 /nfs/dbraw/zinc/17/19/07/619171907.db2.gz HUBZZSNWAXTOEY-CABCVRRESA-N 2 0 250.430 2.888 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000925843064 619175656 /nfs/dbraw/zinc/17/56/56/619175656.db2.gz YWGPJMOXMDERQG-ZIAGYGMSSA-N 2 0 273.380 2.538 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cs1 ZINC000925848068 619181587 /nfs/dbraw/zinc/18/15/87/619181587.db2.gz ZJOHZOWZVNPLJT-HNNXBMFYSA-N 2 0 295.496 2.783 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCSC3(CCC3)C2)C1 ZINC000925854363 619184309 /nfs/dbraw/zinc/18/43/09/619184309.db2.gz AALZKTRZRLPTTD-UPJWGTAASA-N 2 0 254.443 2.664 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925860749 619187027 /nfs/dbraw/zinc/18/70/27/619187027.db2.gz KQZOTSHTODTGMG-XOUADPBQSA-N 2 0 278.465 2.819 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCS2 ZINC000925860933 619187455 /nfs/dbraw/zinc/18/74/55/619187455.db2.gz MIMCNOBYZOPIJH-OLZOCXBDSA-N 2 0 254.443 2.536 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCS[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861877 619188016 /nfs/dbraw/zinc/18/80/16/619188016.db2.gz USJYGSGIBBPYSJ-CRWXNKLISA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925862275 619188448 /nfs/dbraw/zinc/18/84/48/619188448.db2.gz ZMUMFRMADHEMJO-AVGNSLFASA-N 2 0 254.443 2.535 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925862274 619188618 /nfs/dbraw/zinc/18/86/18/619188618.db2.gz ZMUMFRMADHEMJO-AGIUHOORSA-N 2 0 254.443 2.535 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(C)C ZINC000925874552 619195268 /nfs/dbraw/zinc/19/52/68/619195268.db2.gz SZFABINTFOVGEX-GVDBMIGSSA-N 2 0 282.472 2.663 20 0 CFADRP COc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000925875245 619195618 /nfs/dbraw/zinc/19/56/18/619195618.db2.gz DMDAJNFUXQPAJT-PVAVHDDUSA-N 2 0 290.451 2.979 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925875675 619195972 /nfs/dbraw/zinc/19/59/72/619195972.db2.gz LRADIYIKOXUJPF-UIBIWLFHSA-N 3 0 293.499 2.747 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925877193 619196812 /nfs/dbraw/zinc/19/68/12/619196812.db2.gz NWVRIZOXHVHGDT-GUTXKFCHSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000925881217 619201688 /nfs/dbraw/zinc/20/16/88/619201688.db2.gz ZQDIBJLHVSPDDI-LZWOXQAQSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nccs1 ZINC000925886902 619204219 /nfs/dbraw/zinc/20/42/19/619204219.db2.gz MNSKPDVYTOZNMV-DUVNUKRYSA-N 2 0 287.432 2.853 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccnc1 ZINC000925887283 619204769 /nfs/dbraw/zinc/20/47/69/619204769.db2.gz XJHHBTBDFPFPSM-OLMNPRSZSA-N 2 0 281.403 2.791 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925894273 619208541 /nfs/dbraw/zinc/20/85/41/619208541.db2.gz VWPQGIXUDWAYJU-OWCLPIDISA-N 2 0 280.456 2.989 20 0 CFADRP Cc1cc(F)ncc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000893854612 619229264 /nfs/dbraw/zinc/22/92/64/619229264.db2.gz CDKRDUPQQRBETJ-UHFFFAOYSA-N 2 0 277.387 2.589 20 0 CFADRP CSc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000893939688 619248359 /nfs/dbraw/zinc/24/83/59/619248359.db2.gz FLJLBLQPVRXIND-UHFFFAOYSA-N 2 0 268.426 2.775 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000894210158 619258930 /nfs/dbraw/zinc/25/89/30/619258930.db2.gz CVPSQEJZLWIGQL-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)N(C)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924904184 619271950 /nfs/dbraw/zinc/27/19/50/619271950.db2.gz OEIHIMGOTWRKNH-OAHLLOKOSA-N 2 0 277.456 2.739 20 0 CFADRP c1ncc(C[NH2+]CCCCCCC[NH+]2CCCC2)[nH]1 ZINC000894241819 619277809 /nfs/dbraw/zinc/27/78/09/619277809.db2.gz MFWCTRKJZRCGBI-UHFFFAOYSA-N 2 0 264.417 2.546 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000924953260 619299829 /nfs/dbraw/zinc/29/98/29/619299829.db2.gz APEHEOLVILWTFB-UHFFFAOYSA-N 3 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924956743 619301814 /nfs/dbraw/zinc/30/18/14/619301814.db2.gz YHOSHOHVZSUUPW-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)c1 ZINC000924957296 619302195 /nfs/dbraw/zinc/30/21/95/619302195.db2.gz FTBKFBUVDSZMAU-JKIFEVAISA-N 2 0 276.424 2.651 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964272 619307060 /nfs/dbraw/zinc/30/70/60/619307060.db2.gz AGHYBUBAJJSSRS-KRWDZBQOSA-N 2 0 297.531 2.920 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924965158 619307518 /nfs/dbraw/zinc/30/75/18/619307518.db2.gz WIGGLHVKSGNUQV-CQSZACIVSA-N 2 0 279.815 2.654 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924965155 619307567 /nfs/dbraw/zinc/30/75/67/619307567.db2.gz WIGGLHVKSGNUQV-AWEZNQCLSA-N 2 0 279.815 2.654 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000924972897 619312283 /nfs/dbraw/zinc/31/22/83/619312283.db2.gz RKLJAQSFCCEUTE-UHFFFAOYSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924986331 619317823 /nfs/dbraw/zinc/31/78/23/619317823.db2.gz KFXCLCDFOALGOP-BBRMVZONSA-N 2 0 262.397 2.578 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229061974 619329292 /nfs/dbraw/zinc/32/92/92/619329292.db2.gz CWSQLPCRFAZVTL-HIFRSBDPSA-N 2 0 262.397 2.502 20 0 CFADRP CCC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925039141 619353008 /nfs/dbraw/zinc/35/30/08/619353008.db2.gz AYGVPBLZCZQUMV-PBHICJAKSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nccn1-c1ccccc1 ZINC000894510569 619405740 /nfs/dbraw/zinc/40/57/40/619405740.db2.gz DQVZMQWOFSFPDO-HNNXBMFYSA-N 2 0 298.434 2.865 20 0 CFADRP Oc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1F ZINC000894625509 619432009 /nfs/dbraw/zinc/43/20/09/619432009.db2.gz DEPIMYUVIXPUBQ-UHFFFAOYSA-N 2 0 280.387 2.887 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000894690114 619444557 /nfs/dbraw/zinc/44/45/57/619444557.db2.gz NRWSEAZBKNXXFJ-UHFFFAOYSA-N 2 0 287.329 2.532 20 0 CFADRP C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894706911 619448778 /nfs/dbraw/zinc/44/87/78/619448778.db2.gz ITKDSRXVPVYITI-DGCLKSJQSA-N 2 0 278.362 2.991 20 0 CFADRP COC1CCC(C[NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000894807706 619471283 /nfs/dbraw/zinc/47/12/83/619471283.db2.gz WDEKSKFTPSNDSY-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CCCSC[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894846937 619481128 /nfs/dbraw/zinc/48/11/28/619481128.db2.gz BCMXDVYTKLCIKI-LBPRGKRZSA-N 2 0 263.410 2.956 20 0 CFADRP Cc1ccoc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556513 619554646 /nfs/dbraw/zinc/55/46/46/619554646.db2.gz JIGKHADPSKTBCC-AWEZNQCLSA-N 2 0 271.364 2.694 20 0 CFADRP CN(CCCC[NH+]1CCCCC1)Cc1cnn(C)c1Cl ZINC000895682209 619585297 /nfs/dbraw/zinc/58/52/97/619585297.db2.gz DDTCEYVKVUNRLL-UHFFFAOYSA-N 2 0 298.862 2.771 20 0 CFADRP CC[C@](C)(C[N@H+](C)CCCC[NH+]1CCCCC1)OC ZINC000895682207 619585351 /nfs/dbraw/zinc/58/53/51/619585351.db2.gz CZQADBLHJGAOSJ-MRXNPFEDSA-N 2 0 270.461 2.999 20 0 CFADRP Cc1cc(F)ncc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000895824011 619615467 /nfs/dbraw/zinc/61/54/67/619615467.db2.gz WNXAYPVZFFTCLY-UHFFFAOYSA-N 2 0 279.403 2.882 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1 ZINC000896055739 619662574 /nfs/dbraw/zinc/66/25/74/619662574.db2.gz XUBRZBJMEPONFJ-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CC1(C[NH2+]Cc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000070600436 625363695 /nfs/dbraw/zinc/36/36/95/625363695.db2.gz NCXCQCFYKRIIOD-UHFFFAOYSA-N 2 0 258.818 2.881 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000896862833 619848558 /nfs/dbraw/zinc/84/85/58/619848558.db2.gz KODPTECJEXWRDL-SMDDNHRTSA-N 2 0 299.340 2.838 20 0 CFADRP CC(C)CCCC[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897229002 619953907 /nfs/dbraw/zinc/95/39/07/619953907.db2.gz PXJXFBPUYJCHFF-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000925145633 619970272 /nfs/dbraw/zinc/97/02/72/619970272.db2.gz BSTDHRYMONPZPY-JJRVBVJISA-N 2 0 276.424 2.824 20 0 CFADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)CCCC[NH+](C)C ZINC000909612765 619998105 /nfs/dbraw/zinc/99/81/05/619998105.db2.gz NSQLCNIOJSFOSE-UHFFFAOYSA-N 2 0 291.439 2.727 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000925191286 620015875 /nfs/dbraw/zinc/01/58/75/620015875.db2.gz MOZGAGLTRBAOFB-MRXNPFEDSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1nonc1[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229137 620049152 /nfs/dbraw/zinc/04/91/52/620049152.db2.gz MELYATYDDBPDMV-GRTSSRMGSA-N 2 0 292.427 2.826 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000925242183 620063370 /nfs/dbraw/zinc/06/33/70/620063370.db2.gz XIUQVTBCHJLJJZ-CABCVRRESA-N 2 0 270.461 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H](C)C1 ZINC000897448522 620175369 /nfs/dbraw/zinc/17/53/69/620175369.db2.gz WSVRYVIPAFIJDQ-HOCLYGCPSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@]2(C)CCCOC2)CC1 ZINC000925299228 620233958 /nfs/dbraw/zinc/23/39/58/620233958.db2.gz AFJGSVZLKZGODJ-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000148721371 620268283 /nfs/dbraw/zinc/26/82/83/620268283.db2.gz XUBYONIONDXNGD-KRWDZBQOSA-N 2 0 276.424 2.574 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1(C)C ZINC000897746523 620282110 /nfs/dbraw/zinc/28/21/10/620282110.db2.gz MQRZKHHOPZTOJW-RLAWYHOSSA-N 2 0 268.470 2.875 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898112788 620335897 /nfs/dbraw/zinc/33/58/97/620335897.db2.gz VIRXSQQEWPZRFK-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(OCC[NH3+])cc1 ZINC000841054804 620421935 /nfs/dbraw/zinc/42/19/35/620421935.db2.gz NBBNVVGVIHWUQG-ZBFHGGJFSA-N 2 0 291.439 2.747 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)ccc2O1 ZINC000841059123 620423194 /nfs/dbraw/zinc/42/31/94/620423194.db2.gz XZMQGYPMGPPKHB-OAHLLOKOSA-N 2 0 274.408 2.632 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926948290 620429877 /nfs/dbraw/zinc/42/98/77/620429877.db2.gz KDXXQQDBQGQWEK-QNWHQSFQSA-N 2 0 276.346 2.791 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H](C)CN1CCCCC1 ZINC000924644464 620431284 /nfs/dbraw/zinc/43/12/84/620431284.db2.gz VOPQCKIQNLDQED-XHSDSOJGSA-N 2 0 270.461 2.780 20 0 CFADRP Clc1ccnc2c1CC[C@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924645800 620431514 /nfs/dbraw/zinc/43/15/14/620431514.db2.gz AHNZDVSJIPNVFI-IAQYHMDHSA-N 2 0 291.826 2.796 20 0 CFADRP CC(C)CN(CC[NH2+]C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000873223322 620435588 /nfs/dbraw/zinc/43/55/88/620435588.db2.gz NFDHOMHWDDNCLW-UHFFFAOYSA-N 2 0 283.504 2.674 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924672608 620437614 /nfs/dbraw/zinc/43/76/14/620437614.db2.gz UMVPXGYKZQVRSB-IXDOHACOSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cn(C)cn1 ZINC000924681539 620439292 /nfs/dbraw/zinc/43/92/92/620439292.db2.gz NXGALFNSPCOKSJ-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnnc1 ZINC000924689377 620441134 /nfs/dbraw/zinc/44/11/34/620441134.db2.gz XAUSCHKFWAPYDH-GJZGRUSLSA-N 2 0 276.428 2.639 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927036294 620444531 /nfs/dbraw/zinc/44/45/31/620444531.db2.gz KCUJPOUPBRXSLE-PEUVFPKISA-N 2 0 280.481 2.735 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(C)c32)C1 ZINC000924707285 620448152 /nfs/dbraw/zinc/44/81/52/620448152.db2.gz TYXFBWMQLRRUEX-HOCLYGCPSA-N 2 0 258.409 2.914 20 0 CFADRP C[C@@H]1CCC[C@](C[NH2+]C2[C@@H](C)COC[C@@H]2C)(N(C)C)C1 ZINC000924737073 620486884 /nfs/dbraw/zinc/48/68/84/620486884.db2.gz DNOGUVLBEIITQA-AESZEHBQSA-N 2 0 282.472 2.758 20 0 CFADRP CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924745047 620504713 /nfs/dbraw/zinc/50/47/13/620504713.db2.gz BDVYDPRSDXEMQK-YJBOKZPZSA-N 2 0 289.467 2.883 20 0 CFADRP [NH3+]Cc1cc(-c2ccc3c(c2)CC[C@H]([NH3+])C3)ccc1F ZINC000899322038 620543210 /nfs/dbraw/zinc/54/32/10/620543210.db2.gz CEGRRVYZQUEFFR-INIZCTEOSA-N 2 0 270.351 2.767 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)cc1F ZINC000899325323 620545645 /nfs/dbraw/zinc/54/56/45/620545645.db2.gz UFGIPURINNOXIZ-QGZVFWFLSA-N 2 0 284.378 2.980 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000902078538 620969464 /nfs/dbraw/zinc/96/94/64/620969464.db2.gz NEAWVZJJGPQRNN-OAHLLOKOSA-N 2 0 275.440 2.858 20 0 CFADRP CCNc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902079273 620969578 /nfs/dbraw/zinc/96/95/78/620969578.db2.gz RKHSUNACKXUTIG-JKSUJKDBSA-N 2 0 273.424 2.835 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000902078553 620969595 /nfs/dbraw/zinc/96/95/95/620969595.db2.gz NKMWNGQMXBJPGB-CQSZACIVSA-N 2 0 261.413 2.550 20 0 CFADRP C[N@H+](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902321567 621024265 /nfs/dbraw/zinc/02/42/65/621024265.db2.gz VXBGZARCPYMXRV-OAHLLOKOSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@H](C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F)N(C)C ZINC000902315800 621030891 /nfs/dbraw/zinc/03/08/91/621030891.db2.gz DKCSJZLPUIFJKY-WBMJQRKESA-N 2 0 299.409 2.675 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902346741 621034337 /nfs/dbraw/zinc/03/43/37/621034337.db2.gz PMTYTVKCYIIALX-SJORKVTESA-N 3 0 295.515 2.866 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCCS1 ZINC000902345866 621034608 /nfs/dbraw/zinc/03/46/08/621034608.db2.gz MUOOIAMILPSRGW-TZMCWYRMSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902330613 621038167 /nfs/dbraw/zinc/03/81/67/621038167.db2.gz QJPKNNVMNWNYPR-HZPDHXFCSA-N 2 0 295.515 2.865 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902332375 621038870 /nfs/dbraw/zinc/03/88/70/621038870.db2.gz FFDDXUFWJKNHAE-AWEZNQCLSA-N 2 0 270.461 2.543 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333232 621039580 /nfs/dbraw/zinc/03/95/80/621039580.db2.gz IQBPBYOMSUHMCQ-QWHCGFSZSA-N 2 0 258.475 2.886 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902368649 621043178 /nfs/dbraw/zinc/04/31/78/621043178.db2.gz HFQGUEGXPKKULI-BZUAXINKSA-N 2 0 282.472 2.948 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000902373153 621044890 /nfs/dbraw/zinc/04/48/90/621044890.db2.gz AEWWMFKFTOAQEY-STQMWFEESA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000902375103 621046420 /nfs/dbraw/zinc/04/64/20/621046420.db2.gz ATZYCAKGRBHONN-ZDUSSCGKSA-N 2 0 282.378 2.875 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CCO)C2CCCCC2)C1 ZINC000902358541 621051838 /nfs/dbraw/zinc/05/18/38/621051838.db2.gz CJIWJJMXSAKQNT-JKSUJKDBSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H](O)c1cccc(F)c1 ZINC000902363152 621053898 /nfs/dbraw/zinc/05/38/98/621053898.db2.gz VBNAMFNDROVNJC-RCBQFDQVSA-N 2 0 294.414 2.615 20 0 CFADRP CCC(CC)[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902364731 621054410 /nfs/dbraw/zinc/05/44/10/621054410.db2.gz USGKGUASESYZGW-HZPDHXFCSA-N 2 0 283.504 2.721 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000902364650 621054434 /nfs/dbraw/zinc/05/44/34/621054434.db2.gz UBRVNFCVBWOXCY-WFASDCNBSA-N 2 0 274.408 2.747 20 0 CFADRP C[C@H](NCC1([NH3+])CC1)c1cc(Br)cs1 ZINC000902406054 621055198 /nfs/dbraw/zinc/05/51/98/621055198.db2.gz KIMDOAIYSGMEDP-ZETCQYMHSA-N 2 0 275.215 2.653 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](C)O1 ZINC000902383844 621059578 /nfs/dbraw/zinc/05/95/78/621059578.db2.gz GAKNBRJJVCHOQU-IIAWOOMASA-N 2 0 282.472 2.948 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386427 621060887 /nfs/dbraw/zinc/06/08/87/621060887.db2.gz DLSXTVYMDFIDSJ-RYUDHWBXSA-N 2 0 296.377 2.712 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000902389174 621061202 /nfs/dbraw/zinc/06/12/02/621061202.db2.gz VPGOTWKMGDMVRH-NEPJUHHUSA-N 2 0 260.372 2.790 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391142 621062645 /nfs/dbraw/zinc/06/26/45/621062645.db2.gz CNJIVXPMFDXMQA-KGLIPLIRSA-N 2 0 270.461 2.805 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392511 621062668 /nfs/dbraw/zinc/06/26/68/621062668.db2.gz ISMDELRIKBNQJE-LRDDRELGSA-N 3 0 299.409 2.852 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)C1 ZINC000902394846 621064200 /nfs/dbraw/zinc/06/42/00/621064200.db2.gz DYIOJOLUOHEUTB-CABCVRRESA-N 2 0 287.451 2.954 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902398285 621066062 /nfs/dbraw/zinc/06/60/62/621066062.db2.gz JQIYMOHTUUKZFC-YPMHNXCESA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H]2CCCS2)C1 ZINC000902398461 621066317 /nfs/dbraw/zinc/06/63/17/621066317.db2.gz PSRJMNJZUXOJKA-CHWSQXEVSA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000902398951 621066545 /nfs/dbraw/zinc/06/65/45/621066545.db2.gz MMAYAQYUNIDBLQ-BARDWOONSA-N 2 0 250.430 2.790 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902400521 621067115 /nfs/dbraw/zinc/06/71/15/621067115.db2.gz RVJVWMVYDPBUEF-GFCCVEGCSA-N 2 0 256.459 2.640 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902401762 621068293 /nfs/dbraw/zinc/06/82/93/621068293.db2.gz CYWUMGQTMWPHCX-HNNXBMFYSA-N 3 0 299.409 2.852 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000902402896 621068853 /nfs/dbraw/zinc/06/88/53/621068853.db2.gz PAQWWPRTOYRWRL-ZQDZILKHSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc2c(c1)CCO2 ZINC000902403422 621068881 /nfs/dbraw/zinc/06/88/81/621068881.db2.gz GUUBTUDKAZVULR-HFBAOOFYSA-N 2 0 272.392 2.542 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000902428404 621075512 /nfs/dbraw/zinc/07/55/12/621075512.db2.gz CKQUVXGQWPWDBT-KSZLIROESA-N 2 0 290.451 2.997 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428113 621075646 /nfs/dbraw/zinc/07/56/46/621075646.db2.gz BBJASUCRMYHHOL-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000902430144 621076384 /nfs/dbraw/zinc/07/63/84/621076384.db2.gz OZXXTCUUCQCOQH-JCECYMMASA-N 2 0 292.467 2.844 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000902431554 621077927 /nfs/dbraw/zinc/07/79/27/621077927.db2.gz SSCCUMWUVPMCJA-ZJPYXAASSA-N 2 0 294.483 2.686 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CCOCC1 ZINC000902432868 621078487 /nfs/dbraw/zinc/07/84/87/621078487.db2.gz RLUSIHXFDLIJEG-GJZGRUSLSA-N 2 0 268.445 2.689 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C[C@@H]([NH3+])C1 ZINC000902442212 621081981 /nfs/dbraw/zinc/08/19/81/621081981.db2.gz ACQRZANQIKDRCZ-IUKMKKQMSA-N 2 0 268.470 2.909 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902450033 621091289 /nfs/dbraw/zinc/09/12/89/621091289.db2.gz CAFZKBIFANFOGF-AGIUHOORSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000902451033 621091915 /nfs/dbraw/zinc/09/19/15/621091915.db2.gz DUIVLQXPRFXWKZ-ZDUSSCGKSA-N 2 0 290.407 2.554 20 0 CFADRP FC1(F)CC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000902453415 621093186 /nfs/dbraw/zinc/09/31/86/621093186.db2.gz CPANNPZOCPTMBW-XJFOESAGSA-N 2 0 272.383 2.790 20 0 CFADRP C1=CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000902453393 621093225 /nfs/dbraw/zinc/09/32/25/621093225.db2.gz BYXKKIJAHVTLDU-XWTMOSNGSA-N 2 0 292.467 2.870 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902453228 621093260 /nfs/dbraw/zinc/09/32/60/621093260.db2.gz NZHKFPHGSHLBJL-NZQZLILVSA-N 2 0 266.335 2.680 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902454116 621093867 /nfs/dbraw/zinc/09/38/67/621093867.db2.gz FVJYHIHITITZPP-QWHCGFSZSA-N 2 0 260.372 2.919 20 0 CFADRP FC1(F)CC[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000902457488 621094824 /nfs/dbraw/zinc/09/48/24/621094824.db2.gz SEMAIZDDWBAZPK-RYUDHWBXSA-N 2 0 258.356 2.686 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000902459168 621095257 /nfs/dbraw/zinc/09/52/57/621095257.db2.gz YARIWFBTVZMOQH-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902471334 621101575 /nfs/dbraw/zinc/10/15/75/621101575.db2.gz NNASEKZFIBVXEV-MWTISTBLSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902485154 621110760 /nfs/dbraw/zinc/11/07/60/621110760.db2.gz ICWQXETUCWUUQS-QSPRXWTASA-N 2 0 258.409 2.824 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)c1 ZINC000902486814 621111914 /nfs/dbraw/zinc/11/19/14/621111914.db2.gz CGCYNAQMPSYOPT-SRVKXCTJSA-N 2 0 284.350 2.984 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488109 621112478 /nfs/dbraw/zinc/11/24/78/621112478.db2.gz KFMBJUGDIZTGLL-NHCYSSNCSA-N 2 0 268.788 2.737 20 0 CFADRP c1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)ccn1 ZINC000902513942 621114952 /nfs/dbraw/zinc/11/49/52/621114952.db2.gz JDHLRJSUUBDAPK-QBPKDAKJSA-N 2 0 271.408 2.510 20 0 CFADRP CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902520832 621116096 /nfs/dbraw/zinc/11/60/96/621116096.db2.gz PMDOVHCCTFIFFC-JHJVBQTASA-N 2 0 250.430 2.789 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000902526836 621117724 /nfs/dbraw/zinc/11/77/24/621117724.db2.gz AIFFCDFQYULBAY-LSDHHAIUSA-N 2 0 293.455 2.945 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170345 625468074 /nfs/dbraw/zinc/46/80/74/625468074.db2.gz YCBHCXKRANEQEL-OAHLLOKOSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@H]([NH2+]CCn1ccnc1)c1ccc(C(F)(F)F)cn1 ZINC000902724722 621158221 /nfs/dbraw/zinc/15/82/21/621158221.db2.gz HDKBVVYIUVXEJH-JTQLQIEISA-N 2 0 284.285 2.648 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902724785 621158458 /nfs/dbraw/zinc/15/84/58/621158458.db2.gz IXVXEVJBFFDLFZ-USXIJHARSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902728354 621159614 /nfs/dbraw/zinc/15/96/14/621159614.db2.gz QWIWPULNSBQIKJ-SJUNHDGSSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCOCC1 ZINC000902742395 621163063 /nfs/dbraw/zinc/16/30/63/621163063.db2.gz OYSDAUNYXSURJM-QAPCUYQASA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902780894 621172191 /nfs/dbraw/zinc/17/21/91/621172191.db2.gz XBJKHEABTKZIMV-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000902797439 621180132 /nfs/dbraw/zinc/18/01/32/621180132.db2.gz VYIHVZFPRKEHPX-WBVHZDCISA-N 2 0 282.472 2.759 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902820221 621181634 /nfs/dbraw/zinc/18/16/34/621181634.db2.gz PJMSLNGZESDHRV-NNPSNHGLSA-N 2 0 292.467 2.512 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000902998342 621224601 /nfs/dbraw/zinc/22/46/01/621224601.db2.gz CNUMPQSZNHZHDF-GOEBONIOSA-N 2 0 270.461 2.615 20 0 CFADRP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000902999465 621225236 /nfs/dbraw/zinc/22/52/36/621225236.db2.gz OWZJEZKJUKCBBS-TZMCWYRMSA-N 2 0 292.423 2.630 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000903067514 621239509 /nfs/dbraw/zinc/23/95/09/621239509.db2.gz UAWHZKYUIWCKGT-KYHPRHEASA-N 2 0 295.515 2.673 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000903082783 621245859 /nfs/dbraw/zinc/24/58/59/621245859.db2.gz WTJHEKZWEFEVFT-OBBFNOJCSA-N 2 0 292.467 2.652 20 0 CFADRP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC[C@@H]1O ZINC000903105143 621255232 /nfs/dbraw/zinc/25/52/32/621255232.db2.gz QQIKRPXXGQMOKW-LLPGRJKPSA-N 2 0 292.467 2.675 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903091626 621257156 /nfs/dbraw/zinc/25/71/56/621257156.db2.gz XQNYLWHISZZKJF-QGZVFWFLSA-N 2 0 273.424 2.854 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147076 621268635 /nfs/dbraw/zinc/26/86/35/621268635.db2.gz DQPKCJSWSHPMMX-TXCZRRACSA-N 2 0 280.456 2.797 20 0 CFADRP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903157997 621270281 /nfs/dbraw/zinc/27/02/81/621270281.db2.gz CYYSTYVOZNBYLD-QXMXGUDHSA-N 2 0 266.454 2.629 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)[C@H](C)C1 ZINC000903162371 621271776 /nfs/dbraw/zinc/27/17/76/621271776.db2.gz DOZOYVMXVUIUTI-FXUDXRNXSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903149063 621272725 /nfs/dbraw/zinc/27/27/25/621272725.db2.gz ZYRNJKHPEQDQPH-XILPPMENSA-N 2 0 292.467 2.939 20 0 CFADRP C1CC1[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903150700 621273213 /nfs/dbraw/zinc/27/32/13/621273213.db2.gz AQASRXIVKCTOST-HJYMDDGLSA-N 2 0 290.451 2.691 20 0 CFADRP C1CC1[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903150702 621273509 /nfs/dbraw/zinc/27/35/09/621273509.db2.gz AQASRXIVKCTOST-LRVKYRPXSA-N 2 0 290.451 2.691 20 0 CFADRP CSC1(C[NH2+][C@H]2CCOC23CCCC3)CC[NH+](C)CC1 ZINC000903171434 621273767 /nfs/dbraw/zinc/27/37/67/621273767.db2.gz FZCVHCSBYKLWHQ-AWEZNQCLSA-N 2 0 298.496 2.505 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCSC1 ZINC000903172462 621274215 /nfs/dbraw/zinc/27/42/15/621274215.db2.gz YUQKKJIDAYRTHM-WPXLMEDKSA-N 2 0 280.481 2.877 20 0 CFADRP C[C@H]([NH2+]Cc1nccc2c1CCCC2)C1CC[NH+](C)CC1 ZINC000903183940 621278006 /nfs/dbraw/zinc/27/80/06/621278006.db2.gz GUAXQWACILPQEO-AWEZNQCLSA-N 2 0 287.451 2.780 20 0 CFADRP C[C@H](COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903194008 621280754 /nfs/dbraw/zinc/28/07/54/621280754.db2.gz ISHCKNMAIDMHPL-JATKITJMSA-N 2 0 278.440 2.549 20 0 CFADRP CC[C@H](C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903194044 621280809 /nfs/dbraw/zinc/28/08/09/621280809.db2.gz IYTPMLTWQIDEKP-PIJLAVMXSA-N 2 0 280.456 2.531 20 0 CFADRP CCC[C@@H](C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195428 621281394 /nfs/dbraw/zinc/28/13/94/621281394.db2.gz YBADUKOGQIUGHY-AIDGVLJZSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(CC2CCC2)c1 ZINC000903195885 621281984 /nfs/dbraw/zinc/28/19/84/621281984.db2.gz CKEAEQCVUKFXJW-JLJPHGGASA-N 2 0 290.455 2.674 20 0 CFADRP C([NH2+][C@H]1CCOC12CCCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000903206883 621287723 /nfs/dbraw/zinc/28/77/23/621287723.db2.gz UQKQNRFOWITTHH-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP C(C[C@@H]1CCCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903206221 621287840 /nfs/dbraw/zinc/28/78/40/621287840.db2.gz PLWXGLQIQKBORT-YTTRVJOFSA-N 2 0 278.440 2.551 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000903253154 621300309 /nfs/dbraw/zinc/30/03/09/621300309.db2.gz JCDFUXPOEHLTCV-GMRIPVOYSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)C1CC[NH+](C)CC1 ZINC000903272288 621309053 /nfs/dbraw/zinc/30/90/53/621309053.db2.gz OIUGKRSTQWFODD-NUTKFTJISA-N 2 0 292.398 2.778 20 0 CFADRP C[C@H]1[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC000903301140 621315514 /nfs/dbraw/zinc/31/55/14/621315514.db2.gz NQGKBDVCPJQBGD-MXSMSXNCSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H]1[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC000903301138 621315929 /nfs/dbraw/zinc/31/59/29/621315929.db2.gz NQGKBDVCPJQBGD-FZCLSBEQSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000903286794 621318554 /nfs/dbraw/zinc/31/85/54/621318554.db2.gz OAORFHZPPJIFTH-LTUQZUHASA-N 2 0 286.419 2.575 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903307834 621326315 /nfs/dbraw/zinc/32/63/15/621326315.db2.gz LHBHZGNXSFNOBN-SJORKVTESA-N 2 0 288.435 2.512 20 0 CFADRP C[C@@H]([NH2+]C1CC(CCO)C1)c1cccc(C[NH+](C)C)c1 ZINC000903333626 621331801 /nfs/dbraw/zinc/33/18/01/621331801.db2.gz RVNOHVAKRUJTTO-TUBUQKNSSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)C1CC[NH+](C)CC1 ZINC000903338467 621334327 /nfs/dbraw/zinc/33/43/27/621334327.db2.gz IDYPUJNUZALCNI-DYVFJYSZSA-N 2 0 273.424 2.853 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@@H]2CCC[C@H]21 ZINC000903350674 621343090 /nfs/dbraw/zinc/34/30/90/621343090.db2.gz DHVFLXHZNWYHSC-YHUYYLMFSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000903354719 621345484 /nfs/dbraw/zinc/34/54/84/621345484.db2.gz XILJAOFOSVEDDM-KBPBESRZSA-N 2 0 298.471 2.674 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000903396064 621353712 /nfs/dbraw/zinc/35/37/12/621353712.db2.gz PMJKGGYVLRUAPG-HDEZJCGLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000903400208 621367887 /nfs/dbraw/zinc/36/78/87/621367887.db2.gz MXVPLDYTEPXLEB-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431016 621371770 /nfs/dbraw/zinc/37/17/70/621371770.db2.gz CYYCJJPBFXHQHA-PWSUYJOCSA-N 2 0 254.324 2.524 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430007 621372259 /nfs/dbraw/zinc/37/22/59/621372259.db2.gz NESLAIZGDIISTK-BZPMIXESSA-N 2 0 250.361 2.674 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000903432543 621372711 /nfs/dbraw/zinc/37/27/11/621372711.db2.gz DSQTXYCBFJPXOI-JHNDHUHGSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000903433286 621373161 /nfs/dbraw/zinc/37/31/61/621373161.db2.gz YKDJTIXQLCZHJZ-KSZLIROESA-N 2 0 288.435 2.795 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439952 621376383 /nfs/dbraw/zinc/37/63/83/621376383.db2.gz RIARGMZWJILVPG-JHNDHUHGSA-N 2 0 258.409 2.992 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000903439777 621376746 /nfs/dbraw/zinc/37/67/46/621376746.db2.gz OMPKVVILGXEEJB-OCCSQVGLSA-N 2 0 258.365 2.720 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000903440196 621377299 /nfs/dbraw/zinc/37/72/99/621377299.db2.gz VWXFOUDJOGVKKG-YIDVYQOGSA-N 2 0 280.456 2.639 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000903422928 621379097 /nfs/dbraw/zinc/37/90/97/621379097.db2.gz RZYFTVFJNUXCIQ-OAGGEKHMSA-N 2 0 298.434 2.605 20 0 CFADRP CCc1ccc2ccccc2c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000903459975 621381267 /nfs/dbraw/zinc/38/12/67/621381267.db2.gz SOLHDMUZQGLJEK-UHFFFAOYSA-N 2 0 298.430 2.688 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CC[NH2+]CC2 ZINC000903460044 621381298 /nfs/dbraw/zinc/38/12/98/621381298.db2.gz VPNDLAHWAYHDTJ-FQUUOJAGSA-N 2 0 284.394 2.742 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000903442648 621382776 /nfs/dbraw/zinc/38/27/76/621382776.db2.gz WCILCVCNIPPDHA-HIFRSBDPSA-N 2 0 298.434 2.598 20 0 CFADRP Cc1nc(C)c([C@@H](C)N(C)C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903444026 621383305 /nfs/dbraw/zinc/38/33/05/621383305.db2.gz NDMOSFMLBHQUMT-XWIASGKRSA-N 2 0 267.442 2.608 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)C[C@@H]21 ZINC000903453869 621387474 /nfs/dbraw/zinc/38/74/74/621387474.db2.gz OJNSWYZAQQEKMN-ARILJUKYSA-N 2 0 284.394 2.742 20 0 CFADRP C[C@H](c1ccsc1)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903456743 621388581 /nfs/dbraw/zinc/38/85/81/621388581.db2.gz KJZYLSTXUWQKIX-FMKPAKJESA-N 2 0 293.480 2.554 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@]1(C)c1ccccc1 ZINC000903482780 621392274 /nfs/dbraw/zinc/39/22/74/621392274.db2.gz SRLDCVCBYJPSOS-HLLBOEOZSA-N 2 0 258.409 2.853 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)nc1 ZINC000903482380 621392488 /nfs/dbraw/zinc/39/24/88/621392488.db2.gz FQKLSMILPHZAOP-FOGDFJRCSA-N 2 0 287.329 2.607 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903498728 621394113 /nfs/dbraw/zinc/39/41/13/621394113.db2.gz CJQTUQPJIZUQNH-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2c(F)cccc2F)C[C@H]1CC[NH3+] ZINC000903498860 621394253 /nfs/dbraw/zinc/39/42/53/621394253.db2.gz LTRKPYVGMMGJKQ-CHWSQXEVSA-N 2 0 282.378 2.814 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1Cl ZINC000903498476 621394375 /nfs/dbraw/zinc/39/43/75/621394375.db2.gz HARFWEWOXLRLFB-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP CSc1ccc(OCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496868 621395023 /nfs/dbraw/zinc/39/50/23/621395023.db2.gz IENJOTCELLSTBL-ZIAGYGMSSA-N 2 0 294.464 2.704 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497440 621395433 /nfs/dbraw/zinc/39/54/33/621395433.db2.gz XIOOUCILEKKLLO-HZPDHXFCSA-N 2 0 276.424 2.681 20 0 CFADRP C[N@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000903716618 621424498 /nfs/dbraw/zinc/42/44/98/621424498.db2.gz AGELAHFGLHMJOI-TUUUFIMRSA-N 2 0 294.361 2.688 20 0 CFADRP CC(C)C[NH+](CC(C)C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717326 621424689 /nfs/dbraw/zinc/42/46/89/621424689.db2.gz NHVCSXZCGPGKJQ-MRXNPFEDSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719319 621425278 /nfs/dbraw/zinc/42/52/78/621425278.db2.gz YBRXLJXUUFOBDI-RDJZCZTQSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]([N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903721618 621426252 /nfs/dbraw/zinc/42/62/52/621426252.db2.gz BSHLLSCUDCGXEC-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722446 621426860 /nfs/dbraw/zinc/42/68/60/621426860.db2.gz AWRDCEKOTLZEJR-CPUCHLNUSA-N 2 0 292.398 2.587 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+](CC1CCCCC1)C1CC1 ZINC000903723835 621427352 /nfs/dbraw/zinc/42/73/52/621427352.db2.gz YNAQSXYLYZVKJI-QZTJIDSGSA-N 2 0 292.467 2.800 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724238 621427497 /nfs/dbraw/zinc/42/74/97/621427497.db2.gz MOVJDWTYTGQBNW-BQFCYCMXSA-N 2 0 288.435 2.756 20 0 CFADRP C[C@H](c1cccs1)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725469 621428322 /nfs/dbraw/zinc/42/83/22/621428322.db2.gz ZZBMWYYGYLSZCQ-IPYPFGDCSA-N 2 0 280.437 2.510 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903725635 621428374 /nfs/dbraw/zinc/42/83/74/621428374.db2.gz DYDPZVIHLCIAKJ-WMLDXEAASA-N 2 0 274.408 2.919 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000903729086 621429352 /nfs/dbraw/zinc/42/93/52/621429352.db2.gz JQUXFVCRKSCKCP-AEFFLSMTSA-N 2 0 292.467 2.801 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903729424 621429603 /nfs/dbraw/zinc/42/96/03/621429603.db2.gz MSQFPYYJHZDEHF-OAHLLOKOSA-N 2 0 276.424 2.559 20 0 CFADRP CC(C)C[C@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903729389 621429663 /nfs/dbraw/zinc/42/96/63/621429663.db2.gz MAYNBAJPUFWSOF-HZPDHXFCSA-N 2 0 280.456 2.513 20 0 CFADRP CCCO[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903729951 621429718 /nfs/dbraw/zinc/42/97/18/621429718.db2.gz TUVGGMLMRGBMPV-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903729183 621429727 /nfs/dbraw/zinc/42/97/27/621429727.db2.gz KFZCSPPZAQEUKL-UONOGXRCSA-N 2 0 262.397 2.775 20 0 CFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732240 621430286 /nfs/dbraw/zinc/43/02/86/621430286.db2.gz DNANKHATXQVWDH-QBPKDAKJSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713144 621430677 /nfs/dbraw/zinc/43/06/77/621430677.db2.gz GHHQYGIXTQUEIS-NSHDSACASA-N 2 0 286.778 2.529 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903716237 621431406 /nfs/dbraw/zinc/43/14/06/621431406.db2.gz KFSVFWYDEARVJZ-TZMCWYRMSA-N 2 0 250.361 2.715 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1CF ZINC000903751949 621433404 /nfs/dbraw/zinc/43/34/04/621433404.db2.gz JQZGZWSYMYKIFZ-CQSZACIVSA-N 2 0 250.361 2.634 20 0 CFADRP CCC[C@]1(C)CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734954 621433879 /nfs/dbraw/zinc/43/38/79/621433879.db2.gz XYBFTOWLBPYBRA-BBWFWOEESA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903744706 621435588 /nfs/dbraw/zinc/43/55/88/621435588.db2.gz XFNZEHXWOXUFIT-WDEREUQCSA-N 2 0 286.778 2.527 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000903744439 621435684 /nfs/dbraw/zinc/43/56/84/621435684.db2.gz SBWGBUDHYSJENV-XIRDDKMYSA-N 2 0 258.409 2.979 20 0 CFADRP Cc1cc(C)nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000903765055 621437089 /nfs/dbraw/zinc/43/70/89/621437089.db2.gz XIFIRXQTXWXLIU-HNNXBMFYSA-N 2 0 273.424 2.662 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000903769011 621438091 /nfs/dbraw/zinc/43/80/91/621438091.db2.gz XLABHDUEXUYFHH-QGZVFWFLSA-N 2 0 287.451 2.910 20 0 CFADRP CC1(C)CCC(C)(C)[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769722 621438095 /nfs/dbraw/zinc/43/80/95/621438095.db2.gz MXWTWHOBYJJZLM-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000903758744 621438797 /nfs/dbraw/zinc/43/87/97/621438797.db2.gz LWUHHKFTEMGIJK-CVEARBPZSA-N 2 0 298.434 2.913 20 0 CFADRP Cc1cnccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792686 621438962 /nfs/dbraw/zinc/43/89/62/621438962.db2.gz GCPPPEZXZZQEKV-UHFFFAOYSA-N 2 0 295.430 2.883 20 0 CFADRP CC(C)COCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792671 621438987 /nfs/dbraw/zinc/43/89/87/621438987.db2.gz FLIHMPHMFKLGOC-UHFFFAOYSA-N 2 0 290.451 2.652 20 0 CFADRP c1csc(CC2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903774860 621439516 /nfs/dbraw/zinc/43/95/16/621439516.db2.gz AOVHMDSWQXGOHT-OAHLLOKOSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903780088 621440396 /nfs/dbraw/zinc/44/03/96/621440396.db2.gz CWLWFRBMFADJHJ-LSDHHAIUSA-N 2 0 282.472 2.759 20 0 CFADRP CC1([NH+]2CCCCC2)CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903780489 621440778 /nfs/dbraw/zinc/44/07/78/621440778.db2.gz HOMUHDKNLKLIQB-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2ccccc2CF)C[C@@H]1C(F)(F)F ZINC000903781088 621440897 /nfs/dbraw/zinc/44/08/97/621440897.db2.gz NPTPFLJPZZXIJK-OLZOCXBDSA-N 2 0 290.304 2.725 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903784754 621441800 /nfs/dbraw/zinc/44/18/00/621441800.db2.gz RNJRRFLUQVRNDL-BBRMVZONSA-N 2 0 273.424 2.911 20 0 CFADRP c1csc(C[C@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903787175 621442346 /nfs/dbraw/zinc/44/23/46/621442346.db2.gz VBFXLSRHMJWSRQ-HUUCEWRRSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2CF)CC[C@H]1C[NH3+] ZINC000903789621 621442411 /nfs/dbraw/zinc/44/24/11/621442411.db2.gz YNBSOCQIRNHYCC-OCCSQVGLSA-N 2 0 250.361 2.573 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000903789463 621442481 /nfs/dbraw/zinc/44/24/81/621442481.db2.gz XRMLVVSWRVCZAE-RDJZCZTQSA-N 2 0 280.456 2.515 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC[C@@H]2CCCCO2)CCC1 ZINC000903811221 621446924 /nfs/dbraw/zinc/44/69/24/621446924.db2.gz JZZRDMFFXFIEPZ-JKSUJKDBSA-N 2 0 280.456 2.929 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c(C)nn1 ZINC000903812152 621447485 /nfs/dbraw/zinc/44/74/85/621447485.db2.gz QYVLWJWSGFEGNY-MRXNPFEDSA-N 2 0 288.439 2.577 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812449 621447592 /nfs/dbraw/zinc/44/75/92/621447592.db2.gz SXUMMEWDUBOROO-INIZCTEOSA-N 2 0 273.424 2.874 20 0 CFADRP C(C[N@@H+]1CCCSC[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000903825588 621450693 /nfs/dbraw/zinc/45/06/93/621450693.db2.gz ACPXSRDACDPXIB-ZFWWWQNUSA-N 2 0 268.470 2.594 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)nc1 ZINC000903833390 621452873 /nfs/dbraw/zinc/45/28/73/621452873.db2.gz VNIDMOQFRQMBDH-YOEHRIQHSA-N 2 0 289.423 2.617 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCSc1ccc(F)cc1F)C2 ZINC000903841573 621452994 /nfs/dbraw/zinc/45/29/94/621452994.db2.gz FXNZWEAMRANTQL-UHTWSYAYSA-N 2 0 298.402 2.869 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3ccccc3o1)C2 ZINC000903842631 621453129 /nfs/dbraw/zinc/45/31/29/621453129.db2.gz QUUMRBXHMQNZMU-YUTCNCBUSA-N 2 0 256.349 2.744 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOC1CCCCCC1)C2 ZINC000903843592 621454593 /nfs/dbraw/zinc/45/45/93/621454593.db2.gz ODTJDZBZAGYGOF-ZNMIVQPWSA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000903842921 621454616 /nfs/dbraw/zinc/45/46/16/621454616.db2.gz XQZKDWTUSXSPKC-LLLHUVSDSA-N 2 0 270.420 2.918 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCSc1ccccc1)C2 ZINC000903845544 621454984 /nfs/dbraw/zinc/45/49/84/621454984.db2.gz IIGGMEWWEPTPPY-IHRRRGAJSA-N 2 0 262.422 2.590 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CCN1CCC[C@]12CC[NH2+]C2 ZINC000903869896 621461231 /nfs/dbraw/zinc/46/12/31/621461231.db2.gz KIDLWHJRAJRTSQ-FUHWJXTLSA-N 2 0 270.420 2.934 20 0 CFADRP CC(C)(C)CC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903898092 621467195 /nfs/dbraw/zinc/46/71/95/621467195.db2.gz IVUZDDQUFSWIHS-CYBMUJFWSA-N 2 0 293.459 2.507 20 0 CFADRP CC[C@@](C)([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC000903902628 621468809 /nfs/dbraw/zinc/46/88/09/621468809.db2.gz LECDDDVTDIEVNI-VYHDIPPYSA-N 2 0 279.453 2.889 20 0 CFADRP CCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](CC)C(=O)OCC ZINC000903913528 621472162 /nfs/dbraw/zinc/47/21/62/621472162.db2.gz DQFITSSAXGZXEA-WTXIUTQJSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939169 621473611 /nfs/dbraw/zinc/47/36/11/621473611.db2.gz SIPUORVMYQAATJ-LBPRGKRZSA-N 2 0 252.377 2.864 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCC(C)(C)[NH3+])ccc2n1 ZINC000903939327 621476756 /nfs/dbraw/zinc/47/67/56/621476756.db2.gz GABKCQPQHVKMQA-UHFFFAOYSA-N 2 0 257.381 2.760 20 0 CFADRP Cc1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903934098 621477425 /nfs/dbraw/zinc/47/74/25/621477425.db2.gz ZXPJLKIDKKXGNQ-DODVFSASSA-N 2 0 270.420 2.884 20 0 CFADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1SC ZINC000903938760 621478342 /nfs/dbraw/zinc/47/83/42/621478342.db2.gz JHPJVDLRIZWZRQ-UHFFFAOYSA-N 2 0 268.426 2.634 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)[C@@H]1C ZINC000903957724 621479364 /nfs/dbraw/zinc/47/93/64/621479364.db2.gz SYRCDITVKPCVOZ-LPWJVIDDSA-N 2 0 260.372 2.646 20 0 CFADRP CCC1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903958396 621479882 /nfs/dbraw/zinc/47/98/82/621479882.db2.gz ZFWNTJDJHMASTJ-OTTFEQOBSA-N 2 0 260.372 2.790 20 0 CFADRP COc1ccccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960102 621480227 /nfs/dbraw/zinc/48/02/27/621480227.db2.gz XBVPPAVLQHNNOB-QGZVFWFLSA-N 2 0 274.408 2.661 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC(C)(C)[NH3+] ZINC000903941275 621482713 /nfs/dbraw/zinc/48/27/13/621482713.db2.gz VOZYIILRZMMBCB-UHFFFAOYSA-N 2 0 286.423 2.706 20 0 CFADRP CC(C)([NH2+]CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000903949180 621486416 /nfs/dbraw/zinc/48/64/16/621486416.db2.gz ZRPMTSQRANXKIN-UHFFFAOYSA-N 2 0 260.303 2.879 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H]2CCc3c(cccc3OC)C2)CC1 ZINC000903949138 621486463 /nfs/dbraw/zinc/48/64/63/621486463.db2.gz YSPVXXINIAFJPK-HNNXBMFYSA-N 2 0 288.435 2.756 20 0 CFADRP Cc1cccc(C)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955439 621490337 /nfs/dbraw/zinc/49/03/37/621490337.db2.gz RQTNMMAWKSALKL-ZDUSSCGKSA-N 2 0 268.351 2.638 20 0 CFADRP CC(C)(C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000903955418 621490371 /nfs/dbraw/zinc/49/03/71/621490371.db2.gz RJVLTMUPHLQTLR-AWEZNQCLSA-N 2 0 282.378 2.799 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956733 621490905 /nfs/dbraw/zinc/49/09/05/621490905.db2.gz NRFZNZXQOFQWSA-PWSUYJOCSA-N 2 0 274.380 2.514 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000903956194 621490915 /nfs/dbraw/zinc/49/09/15/621490915.db2.gz IOPUMLMFBXLFLZ-OCCSQVGLSA-N 2 0 268.351 2.625 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956655 621491132 /nfs/dbraw/zinc/49/11/32/621491132.db2.gz MKSNSOKXWCASAZ-DZGCQCFKSA-N 2 0 282.378 2.842 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903975137 621492664 /nfs/dbraw/zinc/49/26/64/621492664.db2.gz XZSZLGOCJUVNRT-GDBMZVCRSA-N 2 0 298.434 2.720 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@H]1CC[NH3+] ZINC000903977525 621493563 /nfs/dbraw/zinc/49/35/63/621493563.db2.gz SANRUOVLKQQTQW-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903964772 621495888 /nfs/dbraw/zinc/49/58/88/621495888.db2.gz QXHDOITXWQUOOE-ZBFHGGJFSA-N 2 0 276.424 2.811 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967373 621496435 /nfs/dbraw/zinc/49/64/35/621496435.db2.gz ISTHFHFLCFVFFI-BFYDXBDKSA-N 2 0 260.425 2.700 20 0 CFADRP CC(C)[C@@H]([NH3+])C(C)(C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904116944 621526043 /nfs/dbraw/zinc/52/60/43/621526043.db2.gz PZQLSPZNYFBBDL-CYBMUJFWSA-N 2 0 299.378 2.645 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)C[C@H]21 ZINC000904302611 621568724 /nfs/dbraw/zinc/56/87/24/621568724.db2.gz XFKNPVHHFHARAB-BRWVUGGUSA-N 2 0 286.419 2.571 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000904301149 621569114 /nfs/dbraw/zinc/56/91/14/621569114.db2.gz HRYMPQUVKBGAIR-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000904311745 621570622 /nfs/dbraw/zinc/57/06/22/621570622.db2.gz AZNMPHPVTRLFAT-VNQPRFMTSA-N 2 0 262.372 2.570 20 0 CFADRP Cc1ccc(C(=O)C2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904311827 621570842 /nfs/dbraw/zinc/57/08/42/621570842.db2.gz DAYXDSDDRRRNFZ-KDYLLFBJSA-N 2 0 286.419 2.627 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000904312807 621571094 /nfs/dbraw/zinc/57/10/94/621571094.db2.gz ULAFOXKWGOMNDJ-HOTGVXAUSA-N 2 0 281.488 2.700 20 0 CFADRP CC(C)COC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904313567 621571554 /nfs/dbraw/zinc/57/15/54/621571554.db2.gz WNNHQWMYPDVJSJ-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CCc1ccc(Br)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315425 621571628 /nfs/dbraw/zinc/57/16/28/621571628.db2.gz BYRRPHNPDZXHSY-XBXGTLAGSA-N 2 0 297.240 2.661 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)C1 ZINC000904337882 621572276 /nfs/dbraw/zinc/57/22/76/621572276.db2.gz HPKWXJNUVPEQTM-ZACQAIPSSA-N 2 0 258.409 2.678 20 0 CFADRP Cc1ccc(C[C@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904316302 621572426 /nfs/dbraw/zinc/57/24/26/621572426.db2.gz KOWVVFKDMVFCNM-KURKYZTESA-N 2 0 272.436 2.987 20 0 CFADRP CC1(c2ccccc2)CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904318722 621572908 /nfs/dbraw/zinc/57/29/08/621572908.db2.gz UNQDTWUBRPDFPB-FZNQNYSPSA-N 2 0 258.409 2.777 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904320421 621573349 /nfs/dbraw/zinc/57/33/49/621573349.db2.gz GTCQXXSNNIVTRS-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccc(F)cc3)CC2)C1 ZINC000904321348 621573545 /nfs/dbraw/zinc/57/35/45/621573545.db2.gz XFGPACYMJYVNEQ-DRQUAOQDSA-N 2 0 262.372 2.742 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904320716 621573560 /nfs/dbraw/zinc/57/35/60/621573560.db2.gz NBWTZDGECVIUBS-WMLDXEAASA-N 2 0 276.424 2.645 20 0 CFADRP C[C@]1(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CCC[NH2+]C1 ZINC000904324173 621575449 /nfs/dbraw/zinc/57/54/49/621575449.db2.gz DZRAVAHQPZSIPV-ZNMIVQPWSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@]1(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)CCC[NH2+]C1 ZINC000904324172 621575750 /nfs/dbraw/zinc/57/57/50/621575750.db2.gz DZRAVAHQPZSIPV-KKUMJFAQSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000904325172 621575806 /nfs/dbraw/zinc/57/58/06/621575806.db2.gz RWJNIHDCWKYHLO-JHNDHUHGSA-N 2 0 258.409 2.849 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(CC)CC ZINC000904329418 621577111 /nfs/dbraw/zinc/57/71/11/621577111.db2.gz YYIBPNPDXNYUDH-XGUBFFRZSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904334581 621577426 /nfs/dbraw/zinc/57/74/26/621577426.db2.gz ZVOKUHRUGLVOSA-AWEZNQCLSA-N 2 0 272.314 2.934 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904367276 621583482 /nfs/dbraw/zinc/58/34/82/621583482.db2.gz ZCTWZZJGMDJCHH-FZNQNYSPSA-N 2 0 260.425 2.854 20 0 CFADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)c2ccccc2C[NH2+]1 ZINC000904358846 621583720 /nfs/dbraw/zinc/58/37/20/621583720.db2.gz TVDVWPFEHYMMHG-CQSZACIVSA-N 2 0 281.403 2.644 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000904371112 621584252 /nfs/dbraw/zinc/58/42/52/621584252.db2.gz JRPCEDIVHAHRBH-ORQFMDKSSA-N 2 0 258.409 2.992 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904374955 621584609 /nfs/dbraw/zinc/58/46/09/621584609.db2.gz ZBLJZYKHMXHNCM-APIJFGDWSA-N 2 0 250.430 2.872 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000904374752 621584941 /nfs/dbraw/zinc/58/49/41/621584941.db2.gz WGAQSPHJRIEYRC-SFHVURJKSA-N 2 0 287.451 2.992 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000904364551 621585422 /nfs/dbraw/zinc/58/54/22/621585422.db2.gz YOVCROOFFYNAED-SJORKVTESA-N 2 0 275.440 2.801 20 0 CFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904366439 621586015 /nfs/dbraw/zinc/58/60/15/621586015.db2.gz KONACVRMIARJJK-SWLSCSKDSA-N 2 0 294.487 2.711 20 0 CFADRP CC1([NH+]2CCCCC2)CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904384397 621588341 /nfs/dbraw/zinc/58/83/41/621588341.db2.gz KPPLOIBAVGIVOJ-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)CCC[NH2+]C1 ZINC000904384742 621588693 /nfs/dbraw/zinc/58/86/93/621588693.db2.gz MYBKMZVDIVJKAQ-IRXDYDNUSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000904385545 621588786 /nfs/dbraw/zinc/58/87/86/621588786.db2.gz YJPFIEDHZFIYPB-BMQDGWLCSA-N 2 0 288.313 2.973 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000904405622 621590329 /nfs/dbraw/zinc/59/03/29/621590329.db2.gz LFZHJXBBNSZHSV-JTQLQIEISA-N 2 0 288.313 2.598 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000904405587 621590375 /nfs/dbraw/zinc/59/03/75/621590375.db2.gz OQZMSZQRVIVCBO-CQSZACIVSA-N 2 0 264.438 2.591 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000904405837 621590535 /nfs/dbraw/zinc/59/05/35/621590535.db2.gz QDUNYWVLYFVSEH-KBPBESRZSA-N 2 0 294.414 2.684 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904406015 621590605 /nfs/dbraw/zinc/59/06/05/621590605.db2.gz NKPAIWBIVJOMEI-CQSZACIVSA-N 2 0 284.407 2.556 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@H]1C[NH3+] ZINC000904410410 621591636 /nfs/dbraw/zinc/59/16/36/621591636.db2.gz DHGQSLIHADSXFP-CJNGLKHVSA-N 2 0 269.392 2.652 20 0 CFADRP CCCOc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1OC ZINC000904410954 621591721 /nfs/dbraw/zinc/59/17/21/621591721.db2.gz RWFWKQGEOWPTKR-CQSZACIVSA-N 2 0 292.423 2.655 20 0 CFADRP CCn1ccnc1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904410383 621591917 /nfs/dbraw/zinc/59/19/17/621591917.db2.gz CSPLPZBLLMJXMS-OAHLLOKOSA-N 2 0 290.455 2.505 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410174 621592034 /nfs/dbraw/zinc/59/20/34/621592034.db2.gz CWKQAUJHRWKMIP-OLZOCXBDSA-N 2 0 281.469 2.758 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1C[NH3+] ZINC000904411617 621592298 /nfs/dbraw/zinc/59/22/98/621592298.db2.gz ODUUYMFHDBOWMW-ZIAGYGMSSA-N 2 0 269.392 2.652 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000904411295 621592368 /nfs/dbraw/zinc/59/23/68/621592368.db2.gz UCFQFQJIEQHMOP-NSHDSACASA-N 2 0 298.814 2.528 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904410995 621592391 /nfs/dbraw/zinc/59/23/91/621592391.db2.gz IKZIKMRDZWAIKT-HOCLYGCPSA-N 2 0 276.424 2.892 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411552 621592481 /nfs/dbraw/zinc/59/24/81/621592481.db2.gz MEYBCGCIRVLPNP-ZIAGYGMSSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@H]1C[NH3+] ZINC000904411654 621592590 /nfs/dbraw/zinc/59/25/90/621592590.db2.gz OYVTXSCZEIDWBK-KBPBESRZSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411729 621592708 /nfs/dbraw/zinc/59/27/08/621592708.db2.gz XGJHKUPVLQYUHD-JKSUJKDBSA-N 2 0 298.434 2.597 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412851 621593134 /nfs/dbraw/zinc/59/31/34/621593134.db2.gz XVPDSMYZRSMUDZ-GDBMZVCRSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@H]1C[N@H+](Cc2cscc2Cl)CC[C@@H]1C[NH3+] ZINC000904412748 621593598 /nfs/dbraw/zinc/59/35/98/621593598.db2.gz YLRDSUQJFYGXRJ-VHSXEESVSA-N 2 0 258.818 2.818 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)[C@@H]1CCOC1 ZINC000904416291 621594157 /nfs/dbraw/zinc/59/41/57/621594157.db2.gz KJMSVEGUVLKFGN-CVEARBPZSA-N 2 0 280.456 2.515 20 0 CFADRP CC(C)[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000904420894 621596589 /nfs/dbraw/zinc/59/65/89/621596589.db2.gz XNYOIHSNQVVIBT-RCCFBDPRSA-N 2 0 272.436 2.968 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc2n1 ZINC000904420399 621596620 /nfs/dbraw/zinc/59/66/20/621596620.db2.gz NHLCEQWWAWEHJJ-DLBZAZTESA-N 2 0 281.403 2.585 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C)c2)CC1 ZINC000905106569 621701149 /nfs/dbraw/zinc/70/11/49/621701149.db2.gz RNMFHWQZXOUZLG-GOSISDBHSA-N 2 0 290.451 2.883 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000905209639 621724112 /nfs/dbraw/zinc/72/41/12/621724112.db2.gz RCQIBUANYBWMAU-WMZOPIPTSA-N 2 0 290.451 2.883 20 0 CFADRP C[C@H](c1nc(CC2CC[NH2+]CC2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000905311273 621738584 /nfs/dbraw/zinc/73/85/84/621738584.db2.gz SQECSYIBCMOPGP-FRRDWIJNSA-N 2 0 292.427 2.546 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000906157715 621935866 /nfs/dbraw/zinc/93/58/66/621935866.db2.gz IZZCGCIXPPNTKF-INIZCTEOSA-N 2 0 282.391 2.630 20 0 CFADRP [NH3+][C@H](CO)c1ccc(-c2ccccc2C[NH+]2CCCC2)cc1 ZINC000906157695 621935903 /nfs/dbraw/zinc/93/59/03/621935903.db2.gz HYPXGSMJTHETQV-LJQANCHMSA-N 2 0 296.414 2.942 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911848201 622563466 /nfs/dbraw/zinc/56/34/66/622563466.db2.gz WBELXMIYIUANNA-DOMZBBRYSA-N 2 0 275.396 2.518 20 0 CFADRP C[C@@H]([NH2+]CCN1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000820806947 622761021 /nfs/dbraw/zinc/76/10/21/622761021.db2.gz VXBZICDOIQIETN-MRXNPFEDSA-N 2 0 289.467 2.885 20 0 CFADRP C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820808120 622762402 /nfs/dbraw/zinc/76/24/02/622762402.db2.gz YSBBZCCCMLEERM-CCNLRDMRSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809574 622762453 /nfs/dbraw/zinc/76/24/53/622762453.db2.gz DIKXPEQYOMHSJK-DOTOQJQBSA-N 3 0 289.467 2.741 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000821355299 622903116 /nfs/dbraw/zinc/90/31/16/622903116.db2.gz QIXCSCNAZXPPCN-HZPDHXFCSA-N 2 0 266.429 2.504 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1 ZINC000821362696 622903983 /nfs/dbraw/zinc/90/39/83/622903983.db2.gz OHJUSOXBWSGCCG-IAGOWNOFSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224205376 622999210 /nfs/dbraw/zinc/99/92/10/622999210.db2.gz YCYGEVRXDAPDEN-MNOVXSKESA-N 2 0 270.323 2.630 20 0 CFADRP C[C@H](CN[C@H]1CCc2cccnc21)C[NH+]1CCCCC1 ZINC000226815698 623090433 /nfs/dbraw/zinc/09/04/33/623090433.db2.gz FKRFKRCTLABQRA-ZBFHGGJFSA-N 2 0 273.424 2.781 20 0 CFADRP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H]1CCC[NH+](C)C1 ZINC000822634722 623140242 /nfs/dbraw/zinc/14/02/42/623140242.db2.gz KFZADECCWGVTSY-NWDGAFQWSA-N 2 0 279.255 2.844 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1sccc1Br ZINC000087575137 623186968 /nfs/dbraw/zinc/18/69/68/623186968.db2.gz QIRWNQNUPHCSJM-WCBMZHEXSA-N 2 0 289.242 2.728 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)CC[C@H]1CC1(Cl)Cl ZINC000823015454 623220368 /nfs/dbraw/zinc/22/03/68/623220368.db2.gz DRJIRXOLVQQRSD-LBPRGKRZSA-N 2 0 279.255 2.988 20 0 CFADRP CN(Cc1cccc(Cl)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911539 623306563 /nfs/dbraw/zinc/30/65/63/623306563.db2.gz GUYOSIFDYMJTAE-AWEZNQCLSA-N 2 0 252.789 2.771 20 0 CFADRP Cc1nc(C)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)s1 ZINC000312049248 623489716 /nfs/dbraw/zinc/48/97/16/623489716.db2.gz WKXKGBYXWQXZMT-UHFFFAOYSA-N 2 0 275.421 2.551 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC000929747526 623544080 /nfs/dbraw/zinc/54/40/80/623544080.db2.gz DYUUTVRJXWNBFH-QGZVFWFLSA-N 2 0 275.440 2.678 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(Cl)Cl ZINC000824771375 623562325 /nfs/dbraw/zinc/56/23/25/623562325.db2.gz BRCBVFRXLVVBSQ-QJPTWQEYSA-N 2 0 277.239 2.787 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929791305 623688524 /nfs/dbraw/zinc/68/85/24/623688524.db2.gz RLZWNFLGEBRHMC-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1c(C[NH2+]CCC[NH+](C)C)sc2nc(C)nc(C)c12 ZINC000915223967 624000559 /nfs/dbraw/zinc/00/05/59/624000559.db2.gz UFKTWNMKCNAOBZ-UHFFFAOYSA-N 2 0 292.452 2.658 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827426083 624001670 /nfs/dbraw/zinc/00/16/70/624001670.db2.gz PLKFHLMQTMKVIT-GFCCVEGCSA-N 2 0 279.255 2.844 20 0 CFADRP CC(C)[NH+](CCSCC[NH+]1CCCC1)C(C)C ZINC000917389631 624338871 /nfs/dbraw/zinc/33/88/71/624338871.db2.gz PHEVTAFBQRRKKR-UHFFFAOYSA-N 2 0 258.475 2.934 20 0 CFADRP CCc1ncc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000930062305 624534875 /nfs/dbraw/zinc/53/48/75/624534875.db2.gz XZIRMYWUCHXBMN-BBRMVZONSA-N 2 0 289.423 2.686 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000925473193 624623340 /nfs/dbraw/zinc/62/33/40/624623340.db2.gz KRCLEBKJSSWGDX-RDTXWAMCSA-N 2 0 287.451 2.539 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925474560 624642164 /nfs/dbraw/zinc/64/21/64/624642164.db2.gz CKEFKXWXHPLKOG-PMPSAXMXSA-N 2 0 258.409 2.867 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925475090 624650884 /nfs/dbraw/zinc/65/08/84/624650884.db2.gz DVHSCBSPCIMNII-KHHDSSOXSA-N 2 0 270.420 2.594 20 0 CFADRP CCCOCc1ccccc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925475411 624655597 /nfs/dbraw/zinc/65/55/97/624655597.db2.gz MPIOANGATZGTAM-YOEHRIQHSA-N 2 0 276.424 2.843 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2COc3ccccc3C2)C[C@@H]([NH3+])C1 ZINC000925475530 624655757 /nfs/dbraw/zinc/65/57/57/624655757.db2.gz VHTUUDJNINOOJC-IMJJTQAJSA-N 2 0 288.435 2.733 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000921469124 624885186 /nfs/dbraw/zinc/88/51/86/624885186.db2.gz AYUICCGHBHLZOU-UONOGXRCSA-N 2 0 258.475 2.982 20 0 CFADRP CCCCNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052627 625793204 /nfs/dbraw/zinc/79/32/04/625793204.db2.gz ADYOXTDZKAWKDZ-OAHLLOKOSA-N 2 0 290.455 2.601 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)cnc1Cl)C1CC[NH+](C)CC1 ZINC000834840313 625898076 /nfs/dbraw/zinc/89/80/76/625898076.db2.gz JCLLVHCHPWXDAF-SNVBAGLBSA-N 2 0 285.794 2.694 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C1CC[NH+](C)CC1 ZINC000834883499 625908897 /nfs/dbraw/zinc/90/88/97/625908897.db2.gz FXNYZXZJQMBYLH-CMPLNLGQSA-N 2 0 279.255 2.890 20 0 CFADRP COc1c(C)cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1Cl ZINC000817963924 625965313 /nfs/dbraw/zinc/96/53/13/625965313.db2.gz YJBYMKXKDUATEE-ONGXEEELSA-N 2 0 270.804 2.902 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000921529379 625978425 /nfs/dbraw/zinc/97/84/25/625978425.db2.gz MFVCDLZFERNJRI-UYTYNIKBSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000921529375 625978690 /nfs/dbraw/zinc/97/86/90/625978690.db2.gz MFVCDLZFERNJRI-DUQPFJRNSA-N 2 0 294.483 2.902 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000921583500 625991173 /nfs/dbraw/zinc/99/11/73/625991173.db2.gz XBUSAPQZESPCEN-HOCLYGCPSA-N 2 0 288.435 2.832 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2C)C1 ZINC000921581305 625991314 /nfs/dbraw/zinc/99/13/14/625991314.db2.gz IWXRIACWROAZBO-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921685969 626077300 /nfs/dbraw/zinc/07/73/00/626077300.db2.gz CRBKHHDISJANDC-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000921686323 626078628 /nfs/dbraw/zinc/07/86/28/626078628.db2.gz IKKSWIXJEDJYDP-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC000230047992 626099611 /nfs/dbraw/zinc/09/96/11/626099611.db2.gz FMKFRNLUQALWGA-CORIIIEPSA-N 2 0 264.800 2.899 20 0 CFADRP O=c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc[nH]1 ZINC000921811066 626137522 /nfs/dbraw/zinc/13/75/22/626137522.db2.gz XSNIBBOVKLOWGX-UHFFFAOYSA-N 2 0 289.423 2.674 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921921249 626178486 /nfs/dbraw/zinc/17/84/86/626178486.db2.gz VJXNFEPRNUAAKM-UHFFFAOYSA-N 2 0 290.455 2.818 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000921978401 626189735 /nfs/dbraw/zinc/18/97/35/626189735.db2.gz IZYWGRODGMKXKF-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCc3nccn3C2)C1 ZINC000922026678 626198183 /nfs/dbraw/zinc/19/81/83/626198183.db2.gz WNWYYCVHRWUZKD-HZSPNIEDSA-N 2 0 279.453 2.709 20 0 CFADRP CCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925354216 626225752 /nfs/dbraw/zinc/22/57/52/626225752.db2.gz VBKSYZMFCWRYMS-WZYMTQMTSA-N 2 0 268.445 2.797 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(C)c1 ZINC000922171554 626229839 /nfs/dbraw/zinc/22/98/39/626229839.db2.gz LEVXKEWLDVGDFM-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n(C2CCC2)n1 ZINC000922177221 626231373 /nfs/dbraw/zinc/23/13/73/626231373.db2.gz GSTXQQXNKXSZQB-UHFFFAOYSA-N 2 0 281.363 2.546 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)ccc12 ZINC000922178666 626231851 /nfs/dbraw/zinc/23/18/51/626231851.db2.gz QNFOVFCSUGLSEZ-HRCADAONSA-N 2 0 285.391 2.629 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC000922254400 626252745 /nfs/dbraw/zinc/25/27/45/626252745.db2.gz JSQHSZGIIVUUKU-PVAVHDDUSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000925487489 634490379 /nfs/dbraw/zinc/49/03/79/634490379.db2.gz CWZSTDRGYSPQIL-KBPBESRZSA-N 2 0 250.361 2.821 20 0 CFADRP CCn1cncc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922503339 626298886 /nfs/dbraw/zinc/29/88/86/626298886.db2.gz JGPFCZCULCDYBV-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851727465 634493341 /nfs/dbraw/zinc/49/33/41/634493341.db2.gz OKHJWQGPGJHBTF-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000922771899 626362152 /nfs/dbraw/zinc/36/21/52/626362152.db2.gz RQEHNKWCEJFNBC-CVEARBPZSA-N 2 0 299.418 2.895 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1(C)C ZINC000922813354 626368662 /nfs/dbraw/zinc/36/86/62/626368662.db2.gz QJYFSVNWQPCHFE-HUUCEWRRSA-N 2 0 280.456 2.941 20 0 CFADRP COCc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000922847171 626379872 /nfs/dbraw/zinc/37/98/72/626379872.db2.gz KZHQMJYQDSVDBT-UHFFFAOYSA-N 2 0 292.423 2.923 20 0 CFADRP CCc1ncc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000922846826 626380221 /nfs/dbraw/zinc/38/02/21/626380221.db2.gz PRMFNNLHQVEOTG-UHFFFAOYSA-N 2 0 288.439 2.536 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H](C)C1 ZINC000186601817 626387406 /nfs/dbraw/zinc/38/74/06/626387406.db2.gz YDVXYHBHGQPVPH-RHSMWYFYSA-N 2 0 290.451 2.734 20 0 CFADRP Cc1cccc([C@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000929327710 626399359 /nfs/dbraw/zinc/39/93/59/626399359.db2.gz MGXIBAOEOAIOPT-GOSISDBHSA-N 2 0 290.451 2.692 20 0 CFADRP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300884 626464360 /nfs/dbraw/zinc/46/43/60/626464360.db2.gz LVKANLROYLBQLB-DLBZAZTESA-N 2 0 286.419 2.510 20 0 CFADRP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300896 626464422 /nfs/dbraw/zinc/46/44/22/626464422.db2.gz LVKANLROYLBQLB-SJORKVTESA-N 2 0 286.419 2.510 20 0 CFADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c(C)c1 ZINC000923305306 626464697 /nfs/dbraw/zinc/46/46/97/626464697.db2.gz XDGOGZHZTZLIGZ-HZPDHXFCSA-N 2 0 288.435 2.675 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316370 626465196 /nfs/dbraw/zinc/46/51/96/626465196.db2.gz UCYBLBYXSFAPSO-CABCVRRESA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316372 626465273 /nfs/dbraw/zinc/46/52/73/626465273.db2.gz UCYBLBYXSFAPSO-HUUCEWRRSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[N@@H+]1CCCC2(CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923315072 626465421 /nfs/dbraw/zinc/46/54/21/626465421.db2.gz DNLNDLWCOQBPEE-ALOPSCKCSA-N 2 0 292.467 2.800 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923309138 626465605 /nfs/dbraw/zinc/46/56/05/626465605.db2.gz SKCKDVYWRRITBK-INIZCTEOSA-N 2 0 260.381 2.671 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923321143 626466078 /nfs/dbraw/zinc/46/60/78/626466078.db2.gz LBVHERHYJNRQPH-UHFFFAOYSA-N 3 0 281.488 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000923325428 626466767 /nfs/dbraw/zinc/46/67/67/626466767.db2.gz UKYRQAFNXDTMIU-AJYUKVHDSA-N 3 0 293.499 2.569 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923362931 626469330 /nfs/dbraw/zinc/46/93/30/626469330.db2.gz QVOAXJCSKJLBPS-CVEARBPZSA-N 2 0 276.399 2.690 20 0 CFADRP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@H]1CCCC12CCOCC2 ZINC000923376747 626469347 /nfs/dbraw/zinc/46/93/47/626469347.db2.gz FLMBFFNSUWXFAZ-HMQMGEFJSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(F)cc1Cl ZINC000923380015 626469481 /nfs/dbraw/zinc/46/94/81/626469481.db2.gz UPHUFWWUMOLKHD-PWSUYJOCSA-N 2 0 298.789 2.508 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923383944 626469806 /nfs/dbraw/zinc/46/98/06/626469806.db2.gz PISSPHBRRBMNST-LBPRGKRZSA-N 2 0 277.412 2.509 20 0 CFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CC1(C)C ZINC000923396944 626470704 /nfs/dbraw/zinc/47/07/04/626470704.db2.gz JFKILLPYAKDBHN-NUDNTCICSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000923416483 626471000 /nfs/dbraw/zinc/47/10/00/626471000.db2.gz XFXQEDKYLJXDTL-NVXWUHKLSA-N 2 0 282.472 2.625 20 0 CFADRP c1ccc2c(c1)CC[C@@]21CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923422015 626471504 /nfs/dbraw/zinc/47/15/04/626471504.db2.gz UIHWMTXETBJOJT-SFHVURJKSA-N 2 0 270.420 2.718 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923414847 626471566 /nfs/dbraw/zinc/47/15/66/626471566.db2.gz DDFCEARNBHFKLF-ALOPSCKCSA-N 3 0 293.499 2.713 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000923427682 626472229 /nfs/dbraw/zinc/47/22/29/626472229.db2.gz UUESIVAUNJIRFB-HNNXBMFYSA-N 2 0 259.397 2.664 20 0 CFADRP c1ccc2c(c1)C[N@H+](CCC[NH2+]C1CC1)C[C@@H]1CCCN21 ZINC000923428493 626472294 /nfs/dbraw/zinc/47/22/94/626472294.db2.gz ZYTIXMNOPIYWEZ-KRWDZBQOSA-N 2 0 285.435 2.613 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478418 626475644 /nfs/dbraw/zinc/47/56/44/626475644.db2.gz BTSTWQQXICLCNZ-ZDUSSCGKSA-N 2 0 264.438 2.969 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478999 626476026 /nfs/dbraw/zinc/47/60/26/626476026.db2.gz LFZQNWODBATENY-CQSZACIVSA-N 2 0 261.413 2.684 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@H]1C[NH3+] ZINC000923495718 626476230 /nfs/dbraw/zinc/47/62/30/626476230.db2.gz WUCHGDBRFMDVRB-HIFRSBDPSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483002 626476330 /nfs/dbraw/zinc/47/63/30/626476330.db2.gz LAZLYNSZASSCNU-RYUDHWBXSA-N 2 0 265.401 2.704 20 0 CFADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000923482436 626476370 /nfs/dbraw/zinc/47/63/70/626476370.db2.gz FTQMGSZRDIXYSY-SECBINFHSA-N 2 0 293.358 2.641 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000923489286 626476445 /nfs/dbraw/zinc/47/64/45/626476445.db2.gz DPUKXPKHNIGEBQ-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C[NH3+] ZINC000923496422 626476512 /nfs/dbraw/zinc/47/65/12/626476512.db2.gz IBQZDWCJKFERJN-YPMHNXCESA-N 2 0 284.350 2.705 20 0 CFADRP C[C@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@H]1C[NH3+] ZINC000923502040 626476934 /nfs/dbraw/zinc/47/69/34/626476934.db2.gz WHXXCILAQNGNTO-RYUDHWBXSA-N 2 0 275.421 2.713 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923502406 626477021 /nfs/dbraw/zinc/47/70/21/626477021.db2.gz XFEDSOJFEPHKCW-VXGBXAGGSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498395 626477124 /nfs/dbraw/zinc/47/71/24/626477124.db2.gz HSFOZIDWGIAOFQ-AGIUHOORSA-N 2 0 279.428 2.950 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC000923500612 626477359 /nfs/dbraw/zinc/47/73/59/626477359.db2.gz WEFUNNKATDWWIJ-WDEREUQCSA-N 2 0 270.779 2.896 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500340 626477522 /nfs/dbraw/zinc/47/75/22/626477522.db2.gz WUNRZLWOEDRZCP-RDJZCZTQSA-N 2 0 260.425 2.844 20 0 CFADRP C[C@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923505565 626477683 /nfs/dbraw/zinc/47/76/83/626477683.db2.gz BLELNQOACQQJID-WDEREUQCSA-N 2 0 270.779 2.896 20 0 CFADRP CC(C)OCCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506465 626477689 /nfs/dbraw/zinc/47/76/89/626477689.db2.gz WYNXYPLQQJNMRF-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](c1cnccn1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506233 626477749 /nfs/dbraw/zinc/47/77/49/626477749.db2.gz GVSUDEKEQPCEPY-HUUCEWRRSA-N 2 0 288.439 2.639 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923505116 626477755 /nfs/dbraw/zinc/47/77/55/626477755.db2.gz YPOSUPZBFOECRZ-HIFRSBDPSA-N 2 0 285.391 2.758 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507093 626477872 /nfs/dbraw/zinc/47/78/72/626477872.db2.gz MPOORNUYYULNMI-INIZCTEOSA-N 3 0 281.488 2.607 20 0 CFADRP CO[C@@H](CN1CC[C@@]2(C1)CCCC[NH2+]2)C1CCCCC1 ZINC000923533435 626478932 /nfs/dbraw/zinc/47/89/32/626478932.db2.gz LGGXIFOKSIIQCZ-DLBZAZTESA-N 2 0 280.456 2.800 20 0 CFADRP c1ccc(CC[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000923555244 626479524 /nfs/dbraw/zinc/47/95/24/626479524.db2.gz RYEDFBICLQOTAS-MRXNPFEDSA-N 2 0 258.409 2.693 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](CCCCCC[NH3+])C2)n1 ZINC000923551158 626479633 /nfs/dbraw/zinc/47/96/33/626479633.db2.gz JYIFWAWZKNNYCF-AWEZNQCLSA-N 2 0 281.469 2.835 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000838895674 626514598 /nfs/dbraw/zinc/51/45/98/626514598.db2.gz STOFXXPBUZBKTL-UHFFFAOYSA-N 2 0 298.471 2.677 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838926358 626515836 /nfs/dbraw/zinc/51/58/36/626515836.db2.gz DJNIVQWSBYVUGA-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP OC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000839555302 626546276 /nfs/dbraw/zinc/54/62/76/626546276.db2.gz JTWVRQYJFXPKJU-SFHVURJKSA-N 2 0 288.435 2.533 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000757673825 626557511 /nfs/dbraw/zinc/55/75/11/626557511.db2.gz KURVFOWKYVLNOB-ZDUSSCGKSA-N 2 0 299.846 2.744 20 0 CFADRP CC1CC[NH+](C[C@H]2CCCN(CC[NH+]3CCCC3)C2)CC1 ZINC000760820281 626774828 /nfs/dbraw/zinc/77/48/28/626774828.db2.gz LOFMHCODPSMGLJ-SFHVURJKSA-N 2 0 293.499 2.526 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOCc2ccccc2)[C@@H](C)C1 ZINC000764697053 627084778 /nfs/dbraw/zinc/08/47/78/627084778.db2.gz ULNALDHOJZSUSH-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)C1CCOCC1 ZINC000765253613 627126477 /nfs/dbraw/zinc/12/64/77/627126477.db2.gz HBJOQWPCRPJRCQ-UKRRQHHQSA-N 2 0 279.428 2.703 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CC2)CC1 ZINC000765470428 627140625 /nfs/dbraw/zinc/14/06/25/627140625.db2.gz KUCKOJPZMBBFJW-UHFFFAOYSA-N 2 0 297.402 2.775 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000766511180 627206832 /nfs/dbraw/zinc/20/68/32/627206832.db2.gz MFSZCCQGTXHHGQ-RZZCCWGQSA-N 3 0 293.499 2.856 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(C(F)F)C2)cc1 ZINC000768680425 627363863 /nfs/dbraw/zinc/36/38/63/627363863.db2.gz ZMMWNNAUODNUQU-UHFFFAOYSA-N 2 0 298.377 2.760 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000769519100 627450657 /nfs/dbraw/zinc/45/06/57/627450657.db2.gz HIKDMGHTIKEXKQ-LSDHHAIUSA-N 2 0 286.423 2.863 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(CC)noc1C ZINC000769873123 627483485 /nfs/dbraw/zinc/48/34/85/627483485.db2.gz OXSNIYQONOLAKF-OCCSQVGLSA-N 2 0 297.443 2.553 20 0 CFADRP C1=C(C[NH2+]CCCCCCC[NH+]2CCCC2)COCC1 ZINC000769927063 627488194 /nfs/dbraw/zinc/48/81/94/627488194.db2.gz RZVQEYOHGSNYOF-UHFFFAOYSA-N 2 0 280.456 2.969 20 0 CFADRP CC(C)[C@H](C(=O)OCC[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000770379412 627517098 /nfs/dbraw/zinc/51/70/98/627517098.db2.gz BQUWGNNQGSYTEO-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP Cc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000774151499 627894758 /nfs/dbraw/zinc/89/47/58/627894758.db2.gz UBXDNHQNXIYTQF-ALOPSCKCSA-N 2 0 288.435 2.897 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000779154519 628357034 /nfs/dbraw/zinc/35/70/34/628357034.db2.gz UCUSKQAUOROROD-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP CC(C)OC1CC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000779166527 628357823 /nfs/dbraw/zinc/35/78/23/628357823.db2.gz RETICEDYZIXZPC-UHFFFAOYSA-N 2 0 268.445 2.841 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000779340970 628375436 /nfs/dbraw/zinc/37/54/36/628375436.db2.gz LJQZLJJGLUKFSN-HOTGVXAUSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000779345691 628376043 /nfs/dbraw/zinc/37/60/43/628376043.db2.gz SVXWYCFMZTZILI-INIZCTEOSA-N 2 0 290.451 2.923 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000780289665 628450956 /nfs/dbraw/zinc/45/09/56/628450956.db2.gz PNCQVQXFCVDLGN-DOTOQJQBSA-N 2 0 272.436 2.990 20 0 CFADRP C[Si](C)(C)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780330945 628456063 /nfs/dbraw/zinc/45/60/63/628456063.db2.gz KBTHSRLWZDRKRG-UHFFFAOYSA-N 2 0 298.547 2.688 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C1CC(OC(C)(C)C)C1)C2 ZINC000852107349 634660379 /nfs/dbraw/zinc/66/03/79/634660379.db2.gz KZTSKCMYPAZYLZ-VMBOVVBDSA-N 2 0 280.456 2.750 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1cccs1)C2 ZINC000852108746 634660863 /nfs/dbraw/zinc/66/08/63/634660863.db2.gz LYJXCOPAHGJJOL-OAHLLOKOSA-N 2 0 264.438 2.708 20 0 CFADRP CCOCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000782961962 628666381 /nfs/dbraw/zinc/66/63/81/628666381.db2.gz MLCFNANTHJTOPD-GOEBONIOSA-N 2 0 292.423 2.632 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000783245175 628692113 /nfs/dbraw/zinc/69/21/13/628692113.db2.gz XWPUPIBPHQPOCI-KDOFPFPSSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000783245176 628693010 /nfs/dbraw/zinc/69/30/10/628693010.db2.gz XWPUPIBPHQPOCI-KSSFIOAISA-N 2 0 288.435 2.531 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C1CC(OC(C)(C)C)C1 ZINC000783650629 628730843 /nfs/dbraw/zinc/73/08/43/628730843.db2.gz FBBYXKAOCQAGNZ-UHFFFAOYSA-N 2 0 268.445 2.606 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000788476951 629073469 /nfs/dbraw/zinc/07/34/69/629073469.db2.gz UJGKUENWDBXHDV-KRWDZBQOSA-N 2 0 258.409 2.818 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788484007 629073783 /nfs/dbraw/zinc/07/37/83/629073783.db2.gz UNZMJMXRSUQHRK-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1)C(C)C ZINC000788607682 629086231 /nfs/dbraw/zinc/08/62/31/629086231.db2.gz BZUZHDMIJDQKHC-CQSZACIVSA-N 2 0 279.428 2.947 20 0 CFADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000791135792 629288953 /nfs/dbraw/zinc/28/89/53/629288953.db2.gz JOZSXSOVZREIEB-NSHDSACASA-N 2 0 277.412 2.747 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccnc1Cl)C1CC1 ZINC000835063032 629367442 /nfs/dbraw/zinc/36/74/42/629367442.db2.gz SYCUSGGGXBKMRW-UHFFFAOYSA-N 2 0 267.804 2.699 20 0 CFADRP CCOC(=O)C1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCCC1 ZINC000792196728 629408940 /nfs/dbraw/zinc/40/89/40/629408940.db2.gz LNLCUMPIGRENJF-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP C[NH+](C)CCCCCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835187644 629504208 /nfs/dbraw/zinc/50/42/08/629504208.db2.gz SHBKBMZBCSANAO-UHFFFAOYSA-N 2 0 292.423 2.637 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000795322619 629761679 /nfs/dbraw/zinc/76/16/79/629761679.db2.gz XJWSEEVTJAKJIN-SJLPKXTDSA-N 2 0 270.420 2.744 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852568149 634783976 /nfs/dbraw/zinc/78/39/76/634783976.db2.gz UTSNJAVAEGVHSZ-RDJZCZTQSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CCCCCC[NH3+])s1 ZINC000843126051 630801716 /nfs/dbraw/zinc/80/17/16/630801716.db2.gz ACZZJWKNSCDEJV-UHFFFAOYSA-N 2 0 269.458 2.950 20 0 CFADRP Cc1ccc(C[NH2+]CCCCCCC[NH+]2CCCC2)nn1 ZINC000840891718 631254490 /nfs/dbraw/zinc/25/44/90/631254490.db2.gz ZTPYYMUWVIBCSD-UHFFFAOYSA-N 2 0 290.455 2.921 20 0 CFADRP Cc1occc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000840942699 631274030 /nfs/dbraw/zinc/27/40/30/631274030.db2.gz XMSKDUIDZVJDII-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(F)nc2)cc1 ZINC000809739119 631275211 /nfs/dbraw/zinc/27/52/11/631275211.db2.gz XYWLTHACUMMOEQ-UHFFFAOYSA-N 2 0 287.382 2.914 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000841009512 631304215 /nfs/dbraw/zinc/30/42/15/631304215.db2.gz PUTPMYALJAYHMC-KBPBESRZSA-N 2 0 282.453 2.765 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841031899 631312570 /nfs/dbraw/zinc/31/25/70/631312570.db2.gz AOGJKLCURCDIHA-UHFFFAOYSA-N 3 0 289.467 2.540 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841059198 631326233 /nfs/dbraw/zinc/32/62/33/631326233.db2.gz MXLTXAKIWFDMDV-CRAIPNDOSA-N 2 0 293.499 2.619 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1C ZINC000841072084 631330788 /nfs/dbraw/zinc/33/07/88/631330788.db2.gz FWJNFRZIJJRNQM-OAHLLOKOSA-N 2 0 276.424 2.790 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000841084300 631334131 /nfs/dbraw/zinc/33/41/31/631334131.db2.gz ZOHVERKBQDULHP-HAQNSBGRSA-N 2 0 267.804 2.590 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000841096182 631338059 /nfs/dbraw/zinc/33/80/59/631338059.db2.gz SMDVFGXXBXOUKT-FPCQFERPSA-N 2 0 298.430 2.980 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000841866944 631484961 /nfs/dbraw/zinc/48/49/61/631484961.db2.gz HYBIRJFVFSBPSM-HWOWSKLDSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000840236556 631605605 /nfs/dbraw/zinc/60/56/05/631605605.db2.gz WFDOMYQBKLXOOT-CVEARBPZSA-N 2 0 296.455 2.669 20 0 CFADRP CC[C@H]1C[N@H+](CCCCCCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000842472603 631639231 /nfs/dbraw/zinc/63/92/31/631639231.db2.gz FWWYPUPZLXNQHT-IRXDYDNUSA-N 2 0 297.487 2.617 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000842471629 631639721 /nfs/dbraw/zinc/63/97/21/631639721.db2.gz NFJHPQWWHTWVSC-ZDUSSCGKSA-N 2 0 296.377 2.939 20 0 CFADRP CC(C)C[C@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000842472527 631639729 /nfs/dbraw/zinc/63/97/29/631639729.db2.gz DHVHSJPOBPRXCG-HNNXBMFYSA-N 2 0 256.434 2.643 20 0 CFADRP CCOC[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000842472512 631639766 /nfs/dbraw/zinc/63/97/66/631639766.db2.gz CANFZHXOLVBRAJ-HNNXBMFYSA-N 2 0 256.434 2.644 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)no1 ZINC000842471729 631639794 /nfs/dbraw/zinc/63/97/94/631639794.db2.gz VHXOOBBNRQJFBT-ZFWWWQNUSA-N 2 0 263.385 2.510 20 0 CFADRP CN1CC[C@H]([NH2+]CCCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000842478773 631641828 /nfs/dbraw/zinc/64/18/28/631641828.db2.gz OZXHTUFOAGHVTH-ZWKOTPCHSA-N 2 0 289.467 2.931 20 0 CFADRP CCCCCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000842478618 631642012 /nfs/dbraw/zinc/64/20/12/631642012.db2.gz INZMNAVENAATDA-HZPDHXFCSA-N 2 0 268.445 2.785 20 0 CFADRP CCCCCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000842478620 631642030 /nfs/dbraw/zinc/64/20/30/631642030.db2.gz INZMNAVENAATDA-JKSUJKDBSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CO1 ZINC000842678028 631702974 /nfs/dbraw/zinc/70/29/74/631702974.db2.gz RKMRMQCUDCGMEE-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843048450 631813466 /nfs/dbraw/zinc/81/34/66/631813466.db2.gz WLKUGWWXZPPLDA-LLVKDONJSA-N 2 0 272.364 2.782 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)COC2 ZINC000843053804 631817641 /nfs/dbraw/zinc/81/76/41/631817641.db2.gz KPWPHOXQVJSHSO-ALOPSCKCSA-N 2 0 272.392 2.561 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1O ZINC000843105174 631836326 /nfs/dbraw/zinc/83/63/26/631836326.db2.gz RHMVGTVDZOLEFB-LRVUVFPRSA-N 2 0 292.423 2.581 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000843105092 631836964 /nfs/dbraw/zinc/83/69/64/631836964.db2.gz QBMCKWRHNFJPEA-UHFFFAOYSA-N 2 0 262.328 2.931 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cnc1Cl ZINC000843112312 631838704 /nfs/dbraw/zinc/83/87/04/631838704.db2.gz GQDVRXQPFVJGEY-LBPRGKRZSA-N 2 0 267.804 2.604 20 0 CFADRP c1ccc2c(c1)ccnc2C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120151 631840921 /nfs/dbraw/zinc/84/09/21/631840921.db2.gz CWHCBZYBEVUOPC-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000843125742 631845731 /nfs/dbraw/zinc/84/57/31/631845731.db2.gz HBUVWOKWOBAIEZ-QLFBSQMISA-N 2 0 262.372 2.612 20 0 CFADRP [NH3+]CCCCCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000843126825 631847148 /nfs/dbraw/zinc/84/71/48/631847148.db2.gz JKTXWBPSSZUNCE-WAYWQWQTSA-N 2 0 250.361 2.948 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCCCCC[NH3+] ZINC000843129195 631848890 /nfs/dbraw/zinc/84/88/90/631848890.db2.gz NGMCMJMUXCGVOL-CYBMUJFWSA-N 2 0 252.377 2.865 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000843129519 631849048 /nfs/dbraw/zinc/84/90/48/631849048.db2.gz VFLOVYXTDCKQRH-KFWWJZLASA-N 2 0 294.489 2.615 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000843340580 631931320 /nfs/dbraw/zinc/93/13/20/631931320.db2.gz BYYQYRBECXBJLG-FUHWJXTLSA-N 2 0 289.467 2.758 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCCCCC[NH3+])cc1Cl ZINC000843342747 631932086 /nfs/dbraw/zinc/93/20/86/631932086.db2.gz SXWVEUQSICPIDW-NSHDSACASA-N 2 0 285.819 2.913 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000843343233 631932492 /nfs/dbraw/zinc/93/24/92/631932492.db2.gz XTCDNULSCOPMFX-OAHLLOKOSA-N 2 0 272.396 2.608 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000843342456 631932502 /nfs/dbraw/zinc/93/25/02/631932502.db2.gz LWQYGNSVMYKWNN-YESZJQIVSA-N 2 0 288.435 2.952 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843343373 631933697 /nfs/dbraw/zinc/93/36/97/631933697.db2.gz SJTKGLIAQYKYDC-CQSZACIVSA-N 2 0 277.412 2.512 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355876 631935157 /nfs/dbraw/zinc/93/51/57/631935157.db2.gz ZFWOGUVZJVPBRI-SLTXQBBLSA-N 2 0 268.445 2.783 20 0 CFADRP C[N@H+](CCCOCCc1ccccc1)C1CCC([NH3+])CC1 ZINC000843355478 631936235 /nfs/dbraw/zinc/93/62/35/631936235.db2.gz RHWXXAOTKXBNNC-UHFFFAOYSA-N 2 0 290.451 2.838 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843358453 631936854 /nfs/dbraw/zinc/93/68/54/631936854.db2.gz QSYJRMNGYOUZBO-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000843386814 631942453 /nfs/dbraw/zinc/94/24/53/631942453.db2.gz MXEHTOWPJBXCKN-GJZGRUSLSA-N 2 0 293.842 2.947 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCC3CCOCC3)C2)CC1 ZINC000814634722 632101341 /nfs/dbraw/zinc/10/13/41/632101341.db2.gz HMWCZAUKFGRXRJ-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])CC[C@@H]1CCCC[NH+]1C ZINC000844221997 632137525 /nfs/dbraw/zinc/13/75/25/632137525.db2.gz ZVHQQFAGYAXYMG-INIZCTEOSA-N 2 0 269.477 2.702 20 0 CFADRP CCCCn1nc(C)c(C[NH2+]CCC2(C[NH3+])CC2)c1Cl ZINC000844901626 632330946 /nfs/dbraw/zinc/33/09/46/632330946.db2.gz IZUHQHAQRUFXNV-UHFFFAOYSA-N 2 0 298.862 2.864 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]Cc2ccccc2C[NH2+]C)CCO1 ZINC000844904504 632331764 /nfs/dbraw/zinc/33/17/64/632331764.db2.gz OHSLCNPDNCHIFA-YOEHRIQHSA-N 2 0 276.424 2.701 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2C[NH2+]C)CCO1 ZINC000844904503 632331825 /nfs/dbraw/zinc/33/18/25/632331825.db2.gz OHSLCNPDNCHIFA-WMLDXEAASA-N 2 0 276.424 2.701 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000844904046 632331884 /nfs/dbraw/zinc/33/18/84/632331884.db2.gz XQTABDHUYGFSNN-MNOVXSKESA-N 2 0 264.335 2.826 20 0 CFADRP C[C@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]1(F)Cl ZINC000844923174 632337783 /nfs/dbraw/zinc/33/77/83/632337783.db2.gz HYCODBOLGGVBJE-RSMQCKGYSA-N 2 0 260.784 2.564 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844927017 632339332 /nfs/dbraw/zinc/33/93/32/632339332.db2.gz YODKMWHPAAONFI-HBNTYKKESA-N 2 0 265.228 2.677 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@]1(F)Cl ZINC000846037288 632620077 /nfs/dbraw/zinc/62/00/77/632620077.db2.gz LPBCJSMOTDZOIK-MQYQWHSLSA-N 2 0 274.811 2.908 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@](C)(O)c1ccccc1 ZINC000846187803 632657054 /nfs/dbraw/zinc/65/70/54/632657054.db2.gz LIEJIHAGVHBAJL-DAYGRLMNSA-N 2 0 290.451 2.603 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cnn(-c2ccccc2)c1 ZINC000846217407 632662849 /nfs/dbraw/zinc/66/28/49/632662849.db2.gz GUUYJQQLYHPFKN-UHFFFAOYSA-N 2 0 286.423 2.823 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000846218822 632664106 /nfs/dbraw/zinc/66/41/06/632664106.db2.gz XUWQHYKTISESFB-UHFFFAOYSA-N 2 0 268.445 2.929 20 0 CFADRP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846218872 632664887 /nfs/dbraw/zinc/66/48/87/632664887.db2.gz XGGZFEVWFSFSKD-CVEARBPZSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@H](C[N@H+](C)CCCCCC[NH3+])c1nccs1 ZINC000846220568 632665945 /nfs/dbraw/zinc/66/59/45/632665945.db2.gz LFRITONBDBCWTG-GFCCVEGCSA-N 2 0 255.431 2.698 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000846222490 632667423 /nfs/dbraw/zinc/66/74/23/632667423.db2.gz DPVWEDDYHFOOBZ-IAGOWNOFSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCCCCC[NH3+] ZINC000846222448 632667557 /nfs/dbraw/zinc/66/75/57/632667557.db2.gz CUDLHKKJRWBBRQ-PBHICJAKSA-N 2 0 276.424 2.830 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000846223135 632668951 /nfs/dbraw/zinc/66/89/51/632668951.db2.gz HAPCNORVQFDBLT-IAGOWNOFSA-N 2 0 276.424 2.873 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817889900 632718606 /nfs/dbraw/zinc/71/86/06/632718606.db2.gz QGEDYWGIRDJUBL-FGTMMUONSA-N 2 0 282.387 2.763 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817889566 632718878 /nfs/dbraw/zinc/71/88/78/632718878.db2.gz PMMMNOPEFPITHN-BSDSXHPESA-N 2 0 288.435 2.539 20 0 CFADRP CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817896815 632720683 /nfs/dbraw/zinc/72/06/83/632720683.db2.gz VFNHYKXZWPOPIX-MNOVXSKESA-N 2 0 267.442 2.641 20 0 CFADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000817894634 632720925 /nfs/dbraw/zinc/72/09/25/632720925.db2.gz OFHAMMBEQVXSTI-WMLDXEAASA-N 2 0 294.439 2.614 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1-c1ccccc1 ZINC000817898340 632721821 /nfs/dbraw/zinc/72/18/21/632721821.db2.gz GLKPCGLVAYIIJO-ZIAGYGMSSA-N 2 0 286.423 2.959 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897234 632721971 /nfs/dbraw/zinc/72/19/71/632721971.db2.gz HJUKYWMROVONIH-LSDHHAIUSA-N 2 0 281.488 2.747 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897726 632722122 /nfs/dbraw/zinc/72/21/22/632722122.db2.gz WKFOPTMELWSBDI-IAGOWNOFSA-N 2 0 279.472 2.501 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000817897305 632722145 /nfs/dbraw/zinc/72/21/45/632722145.db2.gz JXFPSIUZEMGDDK-MPKXVKKWSA-N 2 0 279.453 2.783 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCOc1ccccc1F ZINC000817897811 632722169 /nfs/dbraw/zinc/72/21/69/632722169.db2.gz BFXGFCCPGHTKKD-CYBMUJFWSA-N 2 0 268.376 2.702 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817899748 632723805 /nfs/dbraw/zinc/72/38/05/632723805.db2.gz PGMGRFCXUQBSRX-HOCLYGCPSA-N 2 0 298.434 2.973 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817901864 632724942 /nfs/dbraw/zinc/72/49/42/632724942.db2.gz YVHFSVUBZFVKIE-ZACQAIPSSA-N 2 0 273.424 2.609 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817901469 632725889 /nfs/dbraw/zinc/72/58/89/632725889.db2.gz VXJZFPLZSAPFAH-BRWVUGGUSA-N 2 0 286.350 2.594 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000817902594 632726916 /nfs/dbraw/zinc/72/69/16/632726916.db2.gz VAILUNRGBIOHEO-GOEBONIOSA-N 2 0 275.440 2.750 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000817905903 632727748 /nfs/dbraw/zinc/72/77/48/632727748.db2.gz VKGHGNKCUWVPSC-IRWJRLHMSA-N 2 0 294.414 2.745 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000817907482 632729321 /nfs/dbraw/zinc/72/93/21/632729321.db2.gz PNQHQBLEWDWQIJ-NVXWUHKLSA-N 2 0 276.424 2.742 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817910792 632730108 /nfs/dbraw/zinc/73/01/08/632730108.db2.gz YIMICIYYAFDOLT-BRSBDYLESA-N 2 0 288.435 2.539 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000817913051 632731287 /nfs/dbraw/zinc/73/12/87/632731287.db2.gz NFENKBXICGJIGR-SYQHCUMBSA-N 2 0 282.453 2.810 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000817914399 632732337 /nfs/dbraw/zinc/73/23/37/632732337.db2.gz WCJGNILHNJIBCF-BPLDGKMQSA-N 2 0 280.412 2.522 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000817913999 632732534 /nfs/dbraw/zinc/73/25/34/632732534.db2.gz UYAYPAVHEQNALD-RQJABVFESA-N 2 0 282.453 2.667 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817917674 632733163 /nfs/dbraw/zinc/73/31/63/632733163.db2.gz BZXINXGPOAOATI-PMPSAXMXSA-N 2 0 296.455 2.573 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2([C@H](O)c3ccccc3)CC2)CC1 ZINC000817916530 632733546 /nfs/dbraw/zinc/73/35/46/632733546.db2.gz HAFXTIUDRHETCR-BDVYOWHSSA-N 2 0 288.435 2.607 20 0 CFADRP C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000817922430 632735349 /nfs/dbraw/zinc/73/53/49/632735349.db2.gz FZODIAVMPMZCDL-CCGTUFIJSA-N 2 0 288.435 2.547 20 0 CFADRP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)CCCC[NH3+])CCC2 ZINC000817922190 632735685 /nfs/dbraw/zinc/73/56/85/632735685.db2.gz ADDSDNAXWAFMBA-UKRRQHHQSA-N 2 0 278.444 2.949 20 0 CFADRP CSCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817921908 632735756 /nfs/dbraw/zinc/73/57/56/632735756.db2.gz KLRGOOWGOQLJLB-KGLIPLIRSA-N 2 0 258.475 2.888 20 0 CFADRP CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)CCCC[NH3+])CCC2 ZINC000817922188 632735884 /nfs/dbraw/zinc/73/58/84/632735884.db2.gz ADDSDNAXWAFMBA-DZGCQCFKSA-N 2 0 278.444 2.949 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922970 632736621 /nfs/dbraw/zinc/73/66/21/632736621.db2.gz OPSWUZTWEMDVPW-QBBMROGASA-N 2 0 276.424 2.532 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817926268 632737446 /nfs/dbraw/zinc/73/74/46/632737446.db2.gz CRZRQOWLDVNRTG-FJIDUMEYSA-N 2 0 288.435 2.539 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000817925071 632737667 /nfs/dbraw/zinc/73/76/67/632737667.db2.gz QRWJXCBMDAOELF-CYBMUJFWSA-N 2 0 264.413 2.521 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)C1C[NH2+]C1 ZINC000817925425 632737699 /nfs/dbraw/zinc/73/76/99/632737699.db2.gz VSZCFMRBVAHYIT-AUUYWEPGSA-N 2 0 296.414 2.585 20 0 CFADRP CC(C)[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)c1ccccc1 ZINC000817927381 632738825 /nfs/dbraw/zinc/73/88/25/632738825.db2.gz KCAKJPYACUQHKH-KXIUCKCTSA-N 2 0 290.451 2.852 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817936244 632741896 /nfs/dbraw/zinc/74/18/96/632741896.db2.gz JBURAHYMBGAZKL-GRYCIOLGSA-N 2 0 279.255 2.938 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817936120 632742143 /nfs/dbraw/zinc/74/21/43/632742143.db2.gz GPWDYWITXPUWFI-GMTAPVOTSA-N 2 0 265.228 2.548 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1(Cl)Cl ZINC000817937626 632743297 /nfs/dbraw/zinc/74/32/97/632743297.db2.gz SUKNUSNQBMZHCZ-HBNTYKKESA-N 2 0 265.228 2.820 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000817948030 632749647 /nfs/dbraw/zinc/74/96/47/632749647.db2.gz SIDZHDAHGDZOND-GOSISDBHSA-N 2 0 266.388 2.965 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(-c2ccccc2)c1 ZINC000817955065 632754927 /nfs/dbraw/zinc/75/49/27/632754927.db2.gz PSGSOFKFODHRBI-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1Cl ZINC000817963921 632762730 /nfs/dbraw/zinc/76/27/30/632762730.db2.gz YJBYMKXKDUATEE-GXSJLCMTSA-N 2 0 270.804 2.902 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000817965574 632764541 /nfs/dbraw/zinc/76/45/41/632764541.db2.gz AKKLMZWNXLUDFA-GXTWGEPZSA-N 2 0 258.475 2.886 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817966953 632766135 /nfs/dbraw/zinc/76/61/35/632766135.db2.gz AKCSRGACSCOISG-KRWDZBQOSA-N 2 0 286.419 2.972 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C1 ZINC000817970405 632768489 /nfs/dbraw/zinc/76/84/89/632768489.db2.gz UVCVDLDZCWEBMT-RZZCCWGQSA-N 2 0 288.435 2.676 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)nc1 ZINC000817970102 632768733 /nfs/dbraw/zinc/76/87/33/632768733.db2.gz LHWZEJAXUURMCA-MVWJERBFSA-N 2 0 253.777 2.656 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970820 632770012 /nfs/dbraw/zinc/77/00/12/632770012.db2.gz FNOWRZBKEVMSRN-VNHYZAJKSA-N 2 0 262.397 2.876 20 0 CFADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H](C)[NH3+])CC2)cc1 ZINC000817974126 632773172 /nfs/dbraw/zinc/77/31/72/632773172.db2.gz ZAIRCYIDTUNQBY-RWBZWWBESA-N 2 0 290.451 2.877 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000817977303 632775319 /nfs/dbraw/zinc/77/53/19/632775319.db2.gz HCMSNBYNAWJODQ-UWVGGRQHSA-N 2 0 286.217 2.622 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccnc(Cl)c1 ZINC000817976917 632775395 /nfs/dbraw/zinc/77/53/95/632775395.db2.gz WVJHEYVNASWMFF-JQWIXIFHSA-N 2 0 265.788 2.528 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976856 632775526 /nfs/dbraw/zinc/77/55/26/632775526.db2.gz VPUNGKZOVIXQIC-IUODEOHRSA-N 2 0 262.372 2.927 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)nc1 ZINC000817981705 632779012 /nfs/dbraw/zinc/77/90/12/632779012.db2.gz MZIPIHDPQNAXAD-JBLDHEPKSA-N 2 0 298.228 2.622 20 0 CFADRP COCc1cc([C@H](C)[NH2+]CCC[NH2+]C2CC2)ccc1OC ZINC000817984762 632781311 /nfs/dbraw/zinc/78/13/11/632781311.db2.gz ZGMUHFZYJFMZNB-ZDUSSCGKSA-N 2 0 292.423 2.634 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(Cl)n1)CC[NH2+]CC2 ZINC000818340932 632832069 /nfs/dbraw/zinc/83/20/69/632832069.db2.gz SOLAFZKGNVRSOJ-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2(O)CCCCC2)c1 ZINC000818970776 632918852 /nfs/dbraw/zinc/91/88/52/632918852.db2.gz QAXQIYXQQODQSD-UHFFFAOYSA-N 2 0 290.451 2.923 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000818980583 632921040 /nfs/dbraw/zinc/92/10/40/632921040.db2.gz MGIATNOZPBNUKG-AEFFLSMTSA-N 2 0 290.451 2.658 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000818984305 632921827 /nfs/dbraw/zinc/92/18/27/632921827.db2.gz DKLKCGOUWRDGGV-WMZOPIPTSA-N 2 0 290.451 2.738 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000818984467 632921926 /nfs/dbraw/zinc/92/19/26/632921926.db2.gz IEEJYNJBPWDDBK-PBHICJAKSA-N 2 0 294.414 2.569 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000819081595 632956939 /nfs/dbraw/zinc/95/69/39/632956939.db2.gz MYKDPCMTYZDEEC-DLBZAZTESA-N 2 0 292.467 2.984 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)C(C)(C)C ZINC000819081513 632957459 /nfs/dbraw/zinc/95/74/59/632957459.db2.gz LTOVATNCLQVXML-JKSUJKDBSA-N 2 0 278.440 2.676 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819107443 632966640 /nfs/dbraw/zinc/96/66/40/632966640.db2.gz YXALBENRSVJGCT-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccc(F)cc1)C(C)C ZINC000819125097 632975595 /nfs/dbraw/zinc/97/55/95/632975595.db2.gz FGUBHBNXGAHKDO-KRWDZBQOSA-N 2 0 296.430 2.958 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000819219470 633023810 /nfs/dbraw/zinc/02/38/10/633023810.db2.gz FEKSKKWNTJJHET-WBMJQRKESA-N 2 0 294.826 2.613 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2cccc(F)c2)CCCC1 ZINC000819226121 633027568 /nfs/dbraw/zinc/02/75/68/633027568.db2.gz AGHGYIIICGMOJL-MRXNPFEDSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000819231515 633029217 /nfs/dbraw/zinc/02/92/17/633029217.db2.gz XOZNCUPQTITMJB-AEFFLSMTSA-N 2 0 290.451 2.883 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000819332688 633088316 /nfs/dbraw/zinc/08/83/16/633088316.db2.gz BTYRBKPBIHSIKM-SFHVURJKSA-N 2 0 290.451 2.884 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000819353648 633102412 /nfs/dbraw/zinc/10/24/12/633102412.db2.gz GQVVPBNLSGDXPN-KRWDZBQOSA-N 2 0 282.472 2.924 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000819366515 633132762 /nfs/dbraw/zinc/13/27/62/633132762.db2.gz RCYJBLZYHYWQIT-WMZOPIPTSA-N 2 0 290.451 2.658 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000819366735 633134405 /nfs/dbraw/zinc/13/44/05/633134405.db2.gz UDODHXYRKBGQNQ-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848559715 633289378 /nfs/dbraw/zinc/28/93/78/633289378.db2.gz YBHDXTNNIUIXSR-RTXFEEFZSA-N 2 0 265.401 2.536 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000848715258 633322702 /nfs/dbraw/zinc/32/27/02/633322702.db2.gz RWDORDWRMWERIZ-KZNAEPCWSA-N 2 0 284.403 2.733 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000848718294 633323779 /nfs/dbraw/zinc/32/37/79/633323779.db2.gz HZAILXSFQKHWIZ-GJZGRUSLSA-N 2 0 261.413 2.502 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C1 ZINC000848721985 633325627 /nfs/dbraw/zinc/32/56/27/633325627.db2.gz JYBKRJPMXKTHNM-AXFHLTTASA-N 2 0 265.228 2.820 20 0 CFADRP CC(C)Oc1ccc(NC(=[NH2+])NCC[NH+]2CCCC2)cc1 ZINC000848982552 633415888 /nfs/dbraw/zinc/41/58/88/633415888.db2.gz YXGCZQOAIBNTGG-UHFFFAOYSA-N 2 0 290.411 2.506 20 0 CFADRP CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000848985372 633417224 /nfs/dbraw/zinc/41/72/24/633417224.db2.gz BXTSLBAAJVCEPN-UHFFFAOYSA-N 2 0 288.439 2.552 20 0 CFADRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000848986583 633418332 /nfs/dbraw/zinc/41/83/32/633418332.db2.gz JJZUJGQIOBVICQ-ZDUSSCGKSA-N 2 0 286.423 2.596 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000848996127 633451181 /nfs/dbraw/zinc/45/11/81/633451181.db2.gz FXLIHPKCSFGFRP-HNNXBMFYSA-N 2 0 288.439 2.970 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000849027657 633468597 /nfs/dbraw/zinc/46/85/97/633468597.db2.gz AVSCBTHGCQZEOA-AWEZNQCLSA-N 2 0 290.411 2.506 20 0 CFADRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)CC(C)C ZINC000849054501 633481483 /nfs/dbraw/zinc/48/14/83/633481483.db2.gz KFLBUCYMPYYHQM-CVEARBPZSA-N 2 0 296.503 2.999 20 0 CFADRP CC(C)CCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000849064641 633483382 /nfs/dbraw/zinc/48/33/82/633483382.db2.gz ULTNCKYTTKHDRO-HUUCEWRRSA-N 2 0 296.503 2.903 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000849349579 633626329 /nfs/dbraw/zinc/62/63/29/633626329.db2.gz DMGWCKLYRMOPSY-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP COc1cncc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000850031007 633796820 /nfs/dbraw/zinc/79/68/20/633796820.db2.gz NZFYSENNPBBUKM-HNNXBMFYSA-N 2 0 291.439 2.692 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)co1 ZINC000850362169 633956141 /nfs/dbraw/zinc/95/61/41/633956141.db2.gz INNYSKHTCMWVKM-UHFFFAOYSA-N 2 0 285.391 2.676 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850438684 633993320 /nfs/dbraw/zinc/99/33/20/633993320.db2.gz CMNXRDISZSMABT-ZNMIVQPWSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000850472468 634006840 /nfs/dbraw/zinc/00/68/40/634006840.db2.gz ZEWDXYPVIPBTEX-UONOGXRCSA-N 2 0 276.424 2.860 20 0 CFADRP CON(C)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000850478044 634009248 /nfs/dbraw/zinc/00/92/48/634009248.db2.gz MXGDHUUHUGHWKU-UHFFFAOYSA-N 2 0 299.503 2.748 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2SCCS2)[C@@H](C)C1 ZINC000850570704 634056064 /nfs/dbraw/zinc/05/60/64/634056064.db2.gz ZPHJGSFFTGWPCE-RYUDHWBXSA-N 2 0 274.499 2.503 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2SCCS2)[C@@H]2CCC[C@@H]21 ZINC000850568708 634056108 /nfs/dbraw/zinc/05/61/08/634056108.db2.gz GQNYUCBERWVVPU-AVGNSLFASA-N 2 0 286.510 2.645 20 0 CFADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850584291 634060801 /nfs/dbraw/zinc/06/08/01/634060801.db2.gz QMPNPMOHPYDJNA-WMLDXEAASA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](CN[C@@H](c1ccccc1)[C@@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000925487111 634267920 /nfs/dbraw/zinc/26/79/20/634267920.db2.gz VTTKTTWMSHGWKI-JFIYKMOQSA-N 2 0 289.467 2.787 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925487229 634314684 /nfs/dbraw/zinc/31/46/84/634314684.db2.gz MAMBGCCUJOLSSD-OQSMONGASA-N 3 0 293.499 2.748 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242006 634949602 /nfs/dbraw/zinc/94/96/02/634949602.db2.gz YXEKIWVAOJBINC-IAGOWNOFSA-N 2 0 292.467 2.657 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000853241094 634949768 /nfs/dbraw/zinc/94/97/68/634949768.db2.gz UKGYNNPFFAKYDQ-YESZJQIVSA-N 2 0 292.467 2.656 20 0 CFADRP CCCCC[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000853248776 634951017 /nfs/dbraw/zinc/95/10/17/634951017.db2.gz YYBSWOUVEPPYSW-HNNXBMFYSA-N 2 0 297.487 2.535 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000853248683 634951558 /nfs/dbraw/zinc/95/15/58/634951558.db2.gz IMAVAUVAXWCWCX-MAZHCROVSA-N 2 0 274.408 2.932 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000111361910 635023012 /nfs/dbraw/zinc/02/30/12/635023012.db2.gz OLHJVQROEIKVQG-GCVQQVDUSA-N 2 0 253.415 2.680 20 0 CFADRP C1=C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000854221514 635261622 /nfs/dbraw/zinc/26/16/22/635261622.db2.gz OBWKYFSPHSGAQJ-YSVLISHTSA-N 2 0 270.376 2.551 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221102 635261691 /nfs/dbraw/zinc/26/16/91/635261691.db2.gz GRVQMTRJWBGODY-SNRMKQJTSA-N 2 0 298.430 2.980 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)CCO2 ZINC000854221862 635262923 /nfs/dbraw/zinc/26/29/23/635262923.db2.gz AGFYMBKFYFINIF-HNNXBMFYSA-N 2 0 274.408 2.934 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000854229717 635266287 /nfs/dbraw/zinc/26/62/87/635266287.db2.gz VFVGRKFDXULWIO-RZAIGCCYSA-N 2 0 297.402 2.678 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000854229716 635267142 /nfs/dbraw/zinc/26/71/42/635267142.db2.gz VFVGRKFDXULWIO-JBBXEZCESA-N 2 0 297.402 2.678 20 0 CFADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(C)C)C2)ccn1 ZINC000856552010 635832876 /nfs/dbraw/zinc/83/28/76/635832876.db2.gz FOHKOOVJDHUBRZ-QGZVFWFLSA-N 2 0 291.439 2.642 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925490745 635845554 /nfs/dbraw/zinc/84/55/54/635845554.db2.gz CEFQXMNPKSJFSV-HRCADAONSA-N 2 0 276.424 2.524 20 0 CFADRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857848521 636031893 /nfs/dbraw/zinc/03/18/93/636031893.db2.gz JTAAAQUDOJINTO-UONOGXRCSA-N 2 0 287.411 2.688 20 0 CFADRP Clc1ccc2c(n1)[C@@H]([NH2+][C@@H]1CCn3ccnc3C1)CC2 ZINC000857910276 636060875 /nfs/dbraw/zinc/06/08/75/636060875.db2.gz GMEZVWMMMZKFGV-NEPJUHHUSA-N 2 0 288.782 2.523 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(F)(F)F)CC1(C)C ZINC000858102347 636125968 /nfs/dbraw/zinc/12/59/68/636125968.db2.gz WCCFVORCBICCNO-VIFPVBQESA-N 2 0 270.364 2.702 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC000858165636 636146401 /nfs/dbraw/zinc/14/64/01/636146401.db2.gz WDVYLZREZZZMAV-NUEKZKHPSA-N 2 0 276.424 2.571 20 0 CFADRP OCc1cc(NCc2cccc(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC000858343769 636199805 /nfs/dbraw/zinc/19/98/05/636199805.db2.gz LAOIJLSGGPAQQV-UHFFFAOYSA-N 2 0 297.402 2.782 20 0 CFADRP CC(C)[C@@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCC(C)CC1 ZINC000858345915 636199892 /nfs/dbraw/zinc/19/98/92/636199892.db2.gz BDYLDOBFUVGPMW-QGZVFWFLSA-N 2 0 291.439 2.742 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(F)c2)C[C@@H]1C ZINC000859155690 636476602 /nfs/dbraw/zinc/47/66/02/636476602.db2.gz OJEBYFZDVWSSKF-GXTWGEPZSA-N 2 0 265.376 2.525 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2cccnc2)cc1 ZINC000859213039 636506706 /nfs/dbraw/zinc/50/67/06/636506706.db2.gz QPKRWGDMALICCB-UHFFFAOYSA-N 2 0 283.419 2.818 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2cncs2)cc1 ZINC000859213016 636506888 /nfs/dbraw/zinc/50/68/88/636506888.db2.gz QFGQYFAXHUXHQR-UHFFFAOYSA-N 2 0 289.448 2.879 20 0 CFADRP C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)O1 ZINC000859212999 636507448 /nfs/dbraw/zinc/50/74/48/636507448.db2.gz QCIIPMGHJNBHPD-RHSMWYFYSA-N 2 0 276.424 2.748 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194524898 636787176 /nfs/dbraw/zinc/78/71/76/636787176.db2.gz XGFPWIFDFOKBQL-CVEARBPZSA-N 2 0 266.429 2.637 20 0 CFADRP Cc1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccnc1F ZINC000862220797 637290353 /nfs/dbraw/zinc/29/03/53/637290353.db2.gz PNCAGFVTFIBQEF-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000862271397 637306379 /nfs/dbraw/zinc/30/63/79/637306379.db2.gz NKHCZOJKTXEMRR-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1c(F)nccc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000862278713 637309073 /nfs/dbraw/zinc/30/90/73/637309073.db2.gz HJVPRISLDFFJKF-AWEZNQCLSA-N 2 0 281.419 2.985 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H](O)c2ccccc2)CC1(C)C ZINC000862367816 637338831 /nfs/dbraw/zinc/33/88/31/637338831.db2.gz VVCWQRVCLYGFLB-CVEARBPZSA-N 2 0 276.424 2.573 20 0 CFADRP Cc1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccnc1F ZINC000862417947 637371022 /nfs/dbraw/zinc/37/10/22/637371022.db2.gz JCPQGGIRWTZXKX-UHFFFAOYSA-N 2 0 291.414 2.741 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000862483568 637399645 /nfs/dbraw/zinc/39/96/45/637399645.db2.gz UYIZOSQOTZBVIC-INIZCTEOSA-N 2 0 275.440 2.644 20 0 CFADRP Oc1ccc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000863541632 637689995 /nfs/dbraw/zinc/68/99/95/637689995.db2.gz KWFUUYCJLYYDQB-UHFFFAOYSA-N 2 0 280.799 2.621 20 0 CFADRP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000863544416 637691798 /nfs/dbraw/zinc/69/17/98/637691798.db2.gz SYDKTFBAHHTNDS-BPUTZDHNSA-N 2 0 294.439 2.539 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000076003198 650359964 /nfs/dbraw/zinc/35/99/64/650359964.db2.gz FFDIGGXQOSQDDK-AWEZNQCLSA-N 2 0 266.454 2.954 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(F)nc2)ccc1F ZINC000189110489 650361434 /nfs/dbraw/zinc/36/14/34/650361434.db2.gz LLZWBGLNMMHEEF-UHFFFAOYSA-N 2 0 291.345 2.711 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000864055701 637849574 /nfs/dbraw/zinc/84/95/74/637849574.db2.gz WEDYJMNCGKEQDB-MRXNPFEDSA-N 2 0 289.423 2.513 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000189402614 650378254 /nfs/dbraw/zinc/37/82/54/650378254.db2.gz JSXZRKVTNFAYPA-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864449776 637983581 /nfs/dbraw/zinc/98/35/81/637983581.db2.gz ANLQUIUVPCMMFI-CZUORRHYSA-N 2 0 288.439 2.551 20 0 CFADRP CC[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865480083 638367817 /nfs/dbraw/zinc/36/78/17/638367817.db2.gz INOWPRRKJWQFGO-LLVKDONJSA-N 2 0 287.329 2.666 20 0 CFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)on1 ZINC000865485221 638371244 /nfs/dbraw/zinc/37/12/44/638371244.db2.gz RTTVSQPCRCAXKC-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP C[NH+](C)C[C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865487799 638372947 /nfs/dbraw/zinc/37/29/47/638372947.db2.gz IVZNFMAMGDVAMQ-NSHDSACASA-N 2 0 287.329 2.878 20 0 CFADRP CN(C)c1ccc(F)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000865595607 638448747 /nfs/dbraw/zinc/44/87/47/638448747.db2.gz NDIXDPHMKKDXKR-UHFFFAOYSA-N 2 0 293.430 2.856 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717121 638532547 /nfs/dbraw/zinc/53/25/47/638532547.db2.gz PJVMTKUWCUYWQM-HNNXBMFYSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000865717315 638532967 /nfs/dbraw/zinc/53/29/67/638532967.db2.gz WHRUCMVETDEAIT-DOTOQJQBSA-N 2 0 293.499 2.712 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000865747060 638549842 /nfs/dbraw/zinc/54/98/42/638549842.db2.gz NOCBQWQKGZEDKA-UHFFFAOYSA-N 2 0 299.340 2.951 20 0 CFADRP Cn1ccc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)c1 ZINC000865773729 638564687 /nfs/dbraw/zinc/56/46/87/638564687.db2.gz IDXCEAKEFAMFPA-UHFFFAOYSA-N 2 0 297.446 2.778 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1(C)C ZINC000865783395 638571458 /nfs/dbraw/zinc/57/14/58/638571458.db2.gz MLUJSXZUTAPXBP-XHSDSOJGSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)(CNc1cc[nH+]cc1C(F)(F)F)n1ccnc1 ZINC000865948883 638671383 /nfs/dbraw/zinc/67/13/83/638671383.db2.gz VVIBKOYKMXZCLS-UHFFFAOYSA-N 2 0 284.285 2.566 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866337385 638798560 /nfs/dbraw/zinc/79/85/60/638798560.db2.gz QONXPRZJTYUULE-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C1CC[NH+](C2CC2)CC1 ZINC000866349566 638801782 /nfs/dbraw/zinc/80/17/82/638801782.db2.gz JUOBEMJTMZICSE-ROUUACIJSA-N 2 0 292.467 2.798 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866378454 638809569 /nfs/dbraw/zinc/80/95/69/638809569.db2.gz REDCAOPEULJFDU-ITMHDFIRSA-N 2 0 292.398 2.921 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000866384776 638811041 /nfs/dbraw/zinc/81/10/41/638811041.db2.gz OUHDMSQILLHVLW-IJEWVQPXSA-N 2 0 261.413 2.709 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866396717 638814120 /nfs/dbraw/zinc/81/41/20/638814120.db2.gz BVYXUQUQBGTSAA-PVAVHDDUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000866397655 638814428 /nfs/dbraw/zinc/81/44/28/638814428.db2.gz IJBTUQCOOHNAHG-RDJZCZTQSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411699 638816793 /nfs/dbraw/zinc/81/67/93/638816793.db2.gz UDPYSIULYVBRTP-GJZGRUSLSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000866467866 638826072 /nfs/dbraw/zinc/82/60/72/638826072.db2.gz SGGPADOLFSDSQW-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000866467663 638826144 /nfs/dbraw/zinc/82/61/44/638826144.db2.gz NCCMGBOLXAMKNK-RDJZCZTQSA-N 3 0 281.488 2.569 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC2CC[NH+](C(C)C)CC2)CC1 ZINC000866467252 638826266 /nfs/dbraw/zinc/82/62/66/638826266.db2.gz BFBFTNRJXLFLBV-UHFFFAOYSA-N 3 0 295.515 2.961 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000866469670 638826624 /nfs/dbraw/zinc/82/66/24/638826624.db2.gz PLITULSDAXUSLL-ZDUSSCGKSA-N 2 0 264.417 2.571 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000866469948 638826701 /nfs/dbraw/zinc/82/67/01/638826701.db2.gz QGEMBPLHUZXKJI-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000866468336 638826780 /nfs/dbraw/zinc/82/67/80/638826780.db2.gz FIIYJJCAJDFBRG-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP C(C[C@H]1CCCS1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866477723 638827380 /nfs/dbraw/zinc/82/73/80/638827380.db2.gz BDICMFRQPFYEMF-OAHLLOKOSA-N 2 0 268.470 2.736 20 0 CFADRP COC1([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)CCC1 ZINC000866516534 638834412 /nfs/dbraw/zinc/83/44/12/638834412.db2.gz BMKOFXBETLUSIR-NFOMZHRRSA-N 2 0 268.445 2.797 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516719 638834466 /nfs/dbraw/zinc/83/44/66/638834466.db2.gz SVPKUVUNRXULMI-GNHJJJEISA-N 2 0 290.455 2.650 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518367 638834480 /nfs/dbraw/zinc/83/44/80/638834480.db2.gz YGUVYUSVLJUFAY-GNHJJJEISA-N 2 0 290.455 2.650 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000866518028 638834596 /nfs/dbraw/zinc/83/45/96/638834596.db2.gz RERVDYRYOJIDPV-BBBYJDLNSA-N 2 0 276.428 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)[C@H]2CCC[C@H]21 ZINC000866532994 638836924 /nfs/dbraw/zinc/83/69/24/638836924.db2.gz YYASZIGJZWEFHS-VVLHAWIVSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)C1CC[NH+](C)CC1 ZINC000866622645 638856794 /nfs/dbraw/zinc/85/67/94/638856794.db2.gz ODZCAHVDRXVZHU-GDBMZVCRSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1Cl ZINC000866665882 638863119 /nfs/dbraw/zinc/86/31/19/638863119.db2.gz JUSKULGRFJVTJG-KGLIPLIRSA-N 2 0 293.842 2.865 20 0 CFADRP CC1(C)CC[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)OC1 ZINC000866666119 638863367 /nfs/dbraw/zinc/86/33/67/638863367.db2.gz NXUYDHCBASATMW-HOTGVXAUSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)OC1 ZINC000866669108 638863763 /nfs/dbraw/zinc/86/37/63/638863763.db2.gz PTHUQAFXMIQRAN-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1CCC1CC[NH2+]CC1 ZINC000866701658 638867234 /nfs/dbraw/zinc/86/72/34/638867234.db2.gz LWIJNMYLQQFBOQ-INIZCTEOSA-N 2 0 273.424 2.675 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866705987 638868014 /nfs/dbraw/zinc/86/80/14/638868014.db2.gz DOPWYKPOYGURFL-INIZCTEOSA-N 2 0 261.413 2.587 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000866703860 638868032 /nfs/dbraw/zinc/86/80/32/638868032.db2.gz PCZUPLFQHOVIIX-UHFFFAOYSA-N 2 0 297.393 2.606 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@H+](CCC[NH3+])CC1 ZINC000866717439 638870170 /nfs/dbraw/zinc/87/01/70/638870170.db2.gz FHYZKDBNFWGRSZ-CQSZACIVSA-N 2 0 262.397 2.614 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796600 641462344 /nfs/dbraw/zinc/46/23/44/641462344.db2.gz AXINBJNKLDRIBP-PSEXLTFBSA-N 2 0 292.427 2.764 20 0 CFADRP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+](C)C ZINC000872017280 641548480 /nfs/dbraw/zinc/54/84/80/641548480.db2.gz YHKINCFYARCNNH-KRWDZBQOSA-N 2 0 296.430 2.703 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)[C@@H]2CCCOC2)C1 ZINC000872024570 641555812 /nfs/dbraw/zinc/55/58/12/641555812.db2.gz TXXGWCDWCBLXLU-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872028336 641558751 /nfs/dbraw/zinc/55/87/51/641558751.db2.gz JGSUBFIHNIZFNS-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000872030727 641561171 /nfs/dbraw/zinc/56/11/71/641561171.db2.gz BEQFUTBBQRKTDD-BBWFWOEESA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H](CC1CCCCC1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000872033108 641563540 /nfs/dbraw/zinc/56/35/40/641563540.db2.gz FEZYOCSXYNYPKL-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872041735 641577134 /nfs/dbraw/zinc/57/71/34/641577134.db2.gz KPCKRVDGINLCPZ-QWHCGFSZSA-N 2 0 298.402 2.539 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(O)c1F ZINC000872059306 641591962 /nfs/dbraw/zinc/59/19/62/641591962.db2.gz DFJAQGKWCGSYIT-GFCCVEGCSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000872079967 641613777 /nfs/dbraw/zinc/61/37/77/641613777.db2.gz QYZQSKFSDSNMPA-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000872117957 641648313 /nfs/dbraw/zinc/64/83/13/641648313.db2.gz XTYHTVWQGYTWSI-GOOCMWNKSA-N 2 0 266.429 2.549 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](O)c1ccccc1 ZINC000872134523 641662424 /nfs/dbraw/zinc/66/24/24/641662424.db2.gz WVZARONIALOYIJ-OWSLCNJRSA-N 2 0 288.435 2.715 20 0 CFADRP Clc1ncsc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142978 641670462 /nfs/dbraw/zinc/67/04/62/641670462.db2.gz IDQWATLSHHBIDL-MNOVXSKESA-N 2 0 285.844 2.618 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1scnc1Cl)CC[NH2+]CC2 ZINC000872144114 641671359 /nfs/dbraw/zinc/67/13/59/641671359.db2.gz CSYNTKSNFWJKPB-JTQLQIEISA-N 2 0 285.844 2.761 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000872144318 641671518 /nfs/dbraw/zinc/67/15/18/641671518.db2.gz GAQZUUHSGOGCHO-ZJPYXAASSA-N 2 0 292.467 2.656 20 0 CFADRP CN(C)c1ccccc1C[N@H+](C)CCCCCC[NH3+] ZINC000872155580 641676065 /nfs/dbraw/zinc/67/60/65/641676065.db2.gz RCGFOFKNKANSSY-UHFFFAOYSA-N 2 0 263.429 2.704 20 0 CFADRP Cc1cc(C)c(C[N@H+](C)CCCCCC[NH3+])c(C)n1 ZINC000872157521 641676850 /nfs/dbraw/zinc/67/68/50/641676850.db2.gz PFNRXEILYHFIBK-UHFFFAOYSA-N 2 0 263.429 2.958 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2ccno2)C1)C1CCCC1 ZINC000872156465 641677451 /nfs/dbraw/zinc/67/74/51/641677451.db2.gz JZJCOVQYSYHTTP-CZUORRHYSA-N 2 0 277.412 2.794 20 0 CFADRP COc1ccccc1[C@H]1CSCCC[N@@H+]1CCC[NH3+] ZINC000872158207 641678799 /nfs/dbraw/zinc/67/87/99/641678799.db2.gz ZTHRFCHQOJZWBN-CQSZACIVSA-N 2 0 280.437 2.524 20 0 CFADRP COCCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158939 641679170 /nfs/dbraw/zinc/67/91/70/641679170.db2.gz ZMGGNZLEYURADH-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP C[NH+](C)CCOC1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872451439 641815187 /nfs/dbraw/zinc/81/51/87/641815187.db2.gz HPDBFMPBMGNUQV-UHFFFAOYSA-N 2 0 289.423 2.506 20 0 CFADRP c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c(C2CC2)c[nH+]1 ZINC000872460939 641818951 /nfs/dbraw/zinc/81/89/51/641818951.db2.gz MNZBXFDVNMIGOY-CQSZACIVSA-N 2 0 271.408 2.881 20 0 CFADRP CSC1(CNc2cc[nH+]cc2C2CC2)CC[NH+](C)CC1 ZINC000872550394 641849526 /nfs/dbraw/zinc/84/95/26/641849526.db2.gz MVVYTGMVPIBNAJ-UHFFFAOYSA-N 2 0 291.464 2.620 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+]CCCCCC[NH3+])n2)cc1 ZINC000873213505 642069787 /nfs/dbraw/zinc/06/97/87/642069787.db2.gz FXXRIIPRPRRKHT-UHFFFAOYSA-N 2 0 298.434 2.940 20 0 CFADRP C[C@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccn1 ZINC000873213532 642070667 /nfs/dbraw/zinc/07/06/67/642070667.db2.gz GRJDYMGEGRGUIN-GFCCVEGCSA-N 2 0 287.432 2.682 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000873219998 642072573 /nfs/dbraw/zinc/07/25/73/642072573.db2.gz FICINPNKAWOTIM-LLVKDONJSA-N 2 0 294.826 2.753 20 0 CFADRP C[C@H]([NH2+]CCSCc1ccccc1)C1CC[NH2+]CC1 ZINC000873219699 642072697 /nfs/dbraw/zinc/07/26/97/642072697.db2.gz FHGTZRZHADLBFL-AWEZNQCLSA-N 2 0 278.465 2.898 20 0 CFADRP C[C@@H]([NH2+]CCCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000873219955 642073089 /nfs/dbraw/zinc/07/30/89/642073089.db2.gz HVIBZXCMNHLYOJ-OAHLLOKOSA-N 2 0 276.424 2.823 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873222185 642074788 /nfs/dbraw/zinc/07/47/88/642074788.db2.gz FITHFOZAGVXTRZ-AWEZNQCLSA-N 2 0 276.424 2.952 20 0 CFADRP COCCC1([NH2+]Cc2cc(C)ccc2C)CC[NH2+]CC1 ZINC000873222798 642076216 /nfs/dbraw/zinc/07/62/16/642076216.db2.gz GAALZUVHBMVARQ-UHFFFAOYSA-N 2 0 276.424 2.552 20 0 CFADRP COCCC1([NH2+]Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000873223382 642076737 /nfs/dbraw/zinc/07/67/37/642076737.db2.gz NWDOJMWFRZZPIV-UHFFFAOYSA-N 2 0 282.815 2.588 20 0 CFADRP C[C@H]([NH2+]Cc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000873223456 642076960 /nfs/dbraw/zinc/07/69/60/642076960.db2.gz NRULNLZJJLIBEE-JTQLQIEISA-N 2 0 270.779 2.957 20 0 CFADRP Cc1csc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000873226812 642079203 /nfs/dbraw/zinc/07/92/03/642079203.db2.gz BXJCLUGNCXISEX-KWCYVHTRSA-N 2 0 279.453 2.629 20 0 CFADRP COCCC1([NH2+]C[C@@H]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000873225622 642079447 /nfs/dbraw/zinc/07/94/47/642079447.db2.gz VRRANGKTQNXRNU-LSDHHAIUSA-N 2 0 268.445 2.561 20 0 CFADRP Cc1csc([C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000873226810 642080633 /nfs/dbraw/zinc/08/06/33/642080633.db2.gz BXJCLUGNCXISEX-FPMFFAJLSA-N 2 0 279.453 2.629 20 0 CFADRP Cc1cnccc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873231641 642084979 /nfs/dbraw/zinc/08/49/79/642084979.db2.gz PWICODZDJFYJIY-MRXNPFEDSA-N 2 0 273.424 2.792 20 0 CFADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231976 642085038 /nfs/dbraw/zinc/08/50/38/642085038.db2.gz HZSJTVOGYAUHCF-JQHSSLGASA-N 2 0 295.515 2.837 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873235178 642088003 /nfs/dbraw/zinc/08/80/03/642088003.db2.gz LFJSFLYIWVRRMM-HNNXBMFYSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccnc1Cl ZINC000873240750 642091140 /nfs/dbraw/zinc/09/11/40/642091140.db2.gz RACKDLQAXKCTEH-SRVKXCTJSA-N 2 0 267.804 2.903 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cnccc2N)CC1 ZINC000873241953 642091617 /nfs/dbraw/zinc/09/16/17/642091617.db2.gz JFYBWEQQPWQXQT-AWEZNQCLSA-N 2 0 290.455 2.655 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000873243751 642091800 /nfs/dbraw/zinc/09/18/00/642091800.db2.gz MSBUZXXOIVJUEE-RISCZKNCSA-N 2 0 279.453 2.785 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000873242013 642092233 /nfs/dbraw/zinc/09/22/33/642092233.db2.gz KLMKOIUDCNMTMX-ZFWWWQNUSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000873246486 642092895 /nfs/dbraw/zinc/09/28/95/642092895.db2.gz ZULKPHWOIJDCPV-HZPDHXFCSA-N 2 0 288.435 2.748 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000873249585 642095337 /nfs/dbraw/zinc/09/53/37/642095337.db2.gz LZLFCNLMSXZCRG-XOKHGSTOSA-N 2 0 258.409 2.643 20 0 CFADRP COCCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000873249064 642095404 /nfs/dbraw/zinc/09/54/04/642095404.db2.gz HYIWEZPRHYDDMO-MAZHCROVSA-N 2 0 280.387 2.620 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248713 642095761 /nfs/dbraw/zinc/09/57/61/642095761.db2.gz FAZHSDCKVVAQNS-XBVQOTNRSA-N 2 0 258.409 2.824 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000873249895 642096492 /nfs/dbraw/zinc/09/64/92/642096492.db2.gz NHTZZNSJXIGGAH-COMQUAJESA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250505 642096722 /nfs/dbraw/zinc/09/67/22/642096722.db2.gz PMYBPFWWRMFWLB-VHRBIJSZSA-N 2 0 286.341 2.963 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CCS2 ZINC000873250329 642097073 /nfs/dbraw/zinc/09/70/73/642097073.db2.gz PAKXVZUQGLNBKT-UHIISALHSA-N 2 0 278.421 2.559 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000873251495 642097600 /nfs/dbraw/zinc/09/76/00/642097600.db2.gz WBMWDTLPEZFYHN-PEYYIBSZSA-N 2 0 278.827 2.988 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000873252300 642097716 /nfs/dbraw/zinc/09/77/16/642097716.db2.gz NHABKGRVJXFKPW-GHMZBOCLSA-N 2 0 288.313 2.787 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000873252835 642099113 /nfs/dbraw/zinc/09/91/13/642099113.db2.gz WHIVXGMELQEQJK-IFUGULHKSA-N 2 0 268.351 2.989 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253046 642099132 /nfs/dbraw/zinc/09/91/32/642099132.db2.gz YEKYCGJPGISLIT-VHRBIJSZSA-N 2 0 252.789 2.598 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254020 642100045 /nfs/dbraw/zinc/10/00/45/642100045.db2.gz JFLSXWCZLWGHGJ-DUVNUKRYSA-N 2 0 284.407 2.569 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C2CC2)cc1 ZINC000873254889 642100721 /nfs/dbraw/zinc/10/07/21/642100721.db2.gz CDSIJJAOXKJVJR-XIRDDKMYSA-N 2 0 258.409 2.643 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000873255110 642100901 /nfs/dbraw/zinc/10/09/01/642100901.db2.gz DEBZVZLSHGWSPF-RCBQFDQVSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000873255845 642101963 /nfs/dbraw/zinc/10/19/63/642101963.db2.gz IUTUGAGBYZFKKD-ZQIUZPCESA-N 2 0 296.418 2.577 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000873257485 642102630 /nfs/dbraw/zinc/10/26/30/642102630.db2.gz SSTIMFIPJXSRBU-WFBYXXMGSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000873256656 642102775 /nfs/dbraw/zinc/10/27/75/642102775.db2.gz BWSOIUGLFBHJCA-DCGLDWPTSA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000873257959 642103311 /nfs/dbraw/zinc/10/33/11/642103311.db2.gz VYXCJMGIZWMYQM-JKOKRWQUSA-N 2 0 280.799 2.881 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873258540 642103334 /nfs/dbraw/zinc/10/33/34/642103334.db2.gz RPZFPUSJJZNIQV-APIJFGDWSA-N 2 0 274.408 2.876 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000873258832 642103397 /nfs/dbraw/zinc/10/33/97/642103397.db2.gz WHIVXGMELQEQJK-IXPVHAAZSA-N 2 0 268.351 2.989 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)COC2 ZINC000873259603 642104322 /nfs/dbraw/zinc/10/43/22/642104322.db2.gz HUTHKROJOGSQAV-UHIXZJCNSA-N 2 0 286.419 2.898 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)nc1 ZINC000873266068 642109385 /nfs/dbraw/zinc/10/93/85/642109385.db2.gz ZEVATWKTJVMHSA-VTPLQMEGSA-N 2 0 279.815 2.916 20 0 CFADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC[NH2+]CC1 ZINC000873267497 642110465 /nfs/dbraw/zinc/11/04/65/642110465.db2.gz FBPVSFSFNDEOEK-KDOFPFPSSA-N 2 0 272.436 2.985 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873268860 642111205 /nfs/dbraw/zinc/11/12/05/642111205.db2.gz IIBREYNPUBNDKM-SNPRPXQTSA-N 2 0 268.445 2.556 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CC2 ZINC000873269224 642111999 /nfs/dbraw/zinc/11/19/99/642111999.db2.gz DWCRMFMBAVRWPN-SUMWQHHRSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CC[NH2+]CC1 ZINC000873272046 642113404 /nfs/dbraw/zinc/11/34/04/642113404.db2.gz OEGLIRUSFNCZEX-PKSQDBQZSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272720 642113525 /nfs/dbraw/zinc/11/35/25/642113525.db2.gz AXHJMOPMQPKTES-LNFKQOIKSA-N 2 0 250.308 2.599 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C[C@H]1OC ZINC000873272521 642113664 /nfs/dbraw/zinc/11/36/64/642113664.db2.gz UKCATONWJNEHMP-NWANDNLSSA-N 2 0 268.445 2.558 20 0 CFADRP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000873273622 642114272 /nfs/dbraw/zinc/11/42/72/642114272.db2.gz JNRUKBBKEMVWOR-RYMFRWLXSA-N 2 0 288.357 2.861 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000873276138 642115020 /nfs/dbraw/zinc/11/50/20/642115020.db2.gz RCSAIMAKYULQKS-NEPJUHHUSA-N 2 0 261.369 2.996 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c2ccccc21 ZINC000873282176 642117138 /nfs/dbraw/zinc/11/71/38/642117138.db2.gz QZNJMGIGDAHACL-DSCSFJNRSA-N 2 0 272.392 2.678 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000873290867 642122689 /nfs/dbraw/zinc/12/26/89/642122689.db2.gz BJHSTWMOCUXKGE-UGUYLWEFSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291309 642124032 /nfs/dbraw/zinc/12/40/32/642124032.db2.gz JMBGPMDUQGPUDF-XUWVNRHRSA-N 2 0 280.456 2.559 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)o1 ZINC000873293107 642124444 /nfs/dbraw/zinc/12/44/44/642124444.db2.gz XYVUFRDVUBELCG-ZFWWWQNUSA-N 2 0 292.423 2.651 20 0 CFADRP C([NH2+][C@H]1CCCC[C@@H]1C1CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294040 642124894 /nfs/dbraw/zinc/12/48/94/642124894.db2.gz SEJLZCMVVFJJQT-BBWFWOEESA-N 2 0 292.467 2.704 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000873293489 642124941 /nfs/dbraw/zinc/12/49/41/642124941.db2.gz KWYITTFTMCIAMD-CVEARBPZSA-N 2 0 280.456 2.704 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294579 642126025 /nfs/dbraw/zinc/12/60/25/642126025.db2.gz WWSDSACKFLSAJO-JYJNAYRXSA-N 2 0 298.446 2.653 20 0 CFADRP c1ccc(NC2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000873295405 642126627 /nfs/dbraw/zinc/12/66/27/642126627.db2.gz HUGIJGAKBPBUIQ-JJXSXHAKSA-N 2 0 271.408 2.502 20 0 CFADRP CCC[NH+]1CCC(NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000019912923 642203133 /nfs/dbraw/zinc/20/31/33/642203133.db2.gz DYPQIUNITYROKO-INIZCTEOSA-N 3 0 281.488 2.715 20 0 CFADRP CC(C)[C@H](C(=O)OCCCCC[NH+](C)C)[NH+]1CCCCC1 ZINC000125056779 642414656 /nfs/dbraw/zinc/41/46/56/642414656.db2.gz JFZOCIWIUSFZMJ-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP CSC(C)(C)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000876577621 642931356 /nfs/dbraw/zinc/93/13/56/642931356.db2.gz GOFBFHDZKYOUII-UHFFFAOYSA-N 2 0 258.475 2.792 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1(C)CCCC1 ZINC000876810767 643020848 /nfs/dbraw/zinc/02/08/48/643020848.db2.gz DJVWDGZOLGWDRD-PMPSAXMXSA-N 2 0 280.456 2.750 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000876972787 643088365 /nfs/dbraw/zinc/08/83/65/643088365.db2.gz OLPDTZNVZIKLEN-SNVBAGLBSA-N 2 0 277.239 2.787 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000126280198 643089180 /nfs/dbraw/zinc/08/91/80/643089180.db2.gz YJSMOXDYEARXAC-LBPRGKRZSA-N 2 0 258.475 2.838 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876988904 643095164 /nfs/dbraw/zinc/09/51/64/643095164.db2.gz PSKFILOJNWYFIN-WDEREUQCSA-N 2 0 265.228 2.502 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000877012422 643104560 /nfs/dbraw/zinc/10/45/60/643104560.db2.gz TYGJBBRIHFUBAH-OKZBNKHCSA-N 2 0 293.499 2.737 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877020069 643106521 /nfs/dbraw/zinc/10/65/21/643106521.db2.gz KDYKMEVMOJOUKJ-NEPJUHHUSA-N 2 0 279.255 2.890 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877181379 643192377 /nfs/dbraw/zinc/19/23/77/643192377.db2.gz BNOPJUPFXSCZEU-JTQLQIEISA-N 2 0 265.228 2.502 20 0 CFADRP CSC(C)(C)CC[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000877481348 643297966 /nfs/dbraw/zinc/29/79/66/643297966.db2.gz DXNPODFTXGIHFR-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000089146422 650828488 /nfs/dbraw/zinc/82/84/88/650828488.db2.gz BRMHMZPKCQHNFK-HZMBPMFUSA-N 2 0 254.324 2.572 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877525029 643328429 /nfs/dbraw/zinc/32/84/29/643328429.db2.gz OHHPIFIREXLVBB-QWRGUYRKSA-N 2 0 265.228 2.500 20 0 CFADRP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CC=CCC1 ZINC000877664293 643442192 /nfs/dbraw/zinc/44/21/92/643442192.db2.gz MCZKYVATGPUXIJ-INIZCTEOSA-N 2 0 280.456 2.633 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1nccn1C(F)F)CC2 ZINC000877683981 643453103 /nfs/dbraw/zinc/45/31/03/643453103.db2.gz FMMDDMWJPJEVJE-UHFFFAOYSA-N 2 0 298.381 2.586 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)nc1 ZINC000877684496 643453519 /nfs/dbraw/zinc/45/35/19/643453519.db2.gz OVWAPIJGDPEUMS-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP Cc1ccoc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684097 643453695 /nfs/dbraw/zinc/45/36/95/643453695.db2.gz GBQRHDMWXXPQQZ-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718483 643482082 /nfs/dbraw/zinc/48/20/82/643482082.db2.gz KEMHEGJGUVHUSG-CVEARBPZSA-N 2 0 272.436 2.896 20 0 CFADRP COC[C@H](C)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767579 643546386 /nfs/dbraw/zinc/54/63/86/643546386.db2.gz OMYGTJQVNVTRAO-OAHLLOKOSA-N 2 0 270.461 2.569 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000877767381 643546527 /nfs/dbraw/zinc/54/65/27/643546527.db2.gz GQSUGAGIIYQSRH-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CC1([NH2+]C2CC[NH+](CC3CC3)CC2)CC(F)(F)C1 ZINC000877834052 643599029 /nfs/dbraw/zinc/59/90/29/643599029.db2.gz NZHLNKVLWYLWDH-UHFFFAOYSA-N 2 0 258.356 2.638 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968442 643669911 /nfs/dbraw/zinc/66/99/11/643669911.db2.gz MHUFURLKUAAYJN-KZNAEPCWSA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878034684 643703347 /nfs/dbraw/zinc/70/33/47/643703347.db2.gz RFDLLJDAAZWWPX-HYVNUMGLSA-N 2 0 280.456 2.749 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)OC1 ZINC000878123525 643748091 /nfs/dbraw/zinc/74/80/91/643748091.db2.gz AXEXZRLQHJWPTI-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP C([C@@H]1C[C@@H]2CCC[C@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878132856 643753352 /nfs/dbraw/zinc/75/33/52/643753352.db2.gz DCXYIHSKPHGYLQ-XLAORIBOSA-N 2 0 292.467 2.752 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878148229 643759551 /nfs/dbraw/zinc/75/95/51/643759551.db2.gz MSPZFJCBAFPASW-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC2CC2)C1 ZINC000878157374 643765921 /nfs/dbraw/zinc/76/59/21/643765921.db2.gz ZTAPVSPLGLYNBQ-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@H]1C ZINC000878162460 643768733 /nfs/dbraw/zinc/76/87/33/643768733.db2.gz GEXYPGVITCPOLS-JSRQGNBESA-N 2 0 280.456 2.749 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878161927 643769246 /nfs/dbraw/zinc/76/92/46/643769246.db2.gz GQHIBBKQBAAHDK-HOTGVXAUSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878164427 643771313 /nfs/dbraw/zinc/77/13/13/643771313.db2.gz HLHWCPAJUGHDLZ-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878164666 643771332 /nfs/dbraw/zinc/77/13/32/643771332.db2.gz MLGKGOVTJGSKEQ-XIRDDKMYSA-N 2 0 280.456 2.750 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878167251 643773386 /nfs/dbraw/zinc/77/33/86/643773386.db2.gz QYEGLBJWDJWOFK-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)[NH2+]C1CCN(C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878235374 643802727 /nfs/dbraw/zinc/80/27/27/643802727.db2.gz FVLOMWUKOZOBAB-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878513183 643922622 /nfs/dbraw/zinc/92/26/22/643922622.db2.gz XIFRUENGJUQWHX-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878513387 643923454 /nfs/dbraw/zinc/92/34/54/643923454.db2.gz ZYDGSNDDYVGMDW-CABCVRRESA-N 2 0 282.472 2.996 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000878549697 643938125 /nfs/dbraw/zinc/93/81/25/643938125.db2.gz OEYBGZNFANLVKX-MRXNPFEDSA-N 2 0 292.467 2.896 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878644638 643971790 /nfs/dbraw/zinc/97/17/90/643971790.db2.gz ANLBAQNWIDADRT-KBPBESRZSA-N 2 0 272.383 2.840 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](C)CC(C)(C)C)CC1 ZINC000878667844 643984554 /nfs/dbraw/zinc/98/45/54/643984554.db2.gz CSJNMNFXDLPTSB-HNNXBMFYSA-N 2 0 284.488 2.884 20 0 CFADRP COCC[N@H+](CC1CC(C)(C)C1)CC1CC[NH+](C)CC1 ZINC000879126574 644152058 /nfs/dbraw/zinc/15/20/58/644152058.db2.gz JRYWHVVTNAKPBF-UHFFFAOYSA-N 2 0 282.472 2.713 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1 ZINC000879208637 644176395 /nfs/dbraw/zinc/17/63/95/644176395.db2.gz CAXXSDHCNRPDKD-JKSUJKDBSA-N 2 0 280.456 2.894 20 0 CFADRP CCc1noc(C)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248722 644194738 /nfs/dbraw/zinc/19/47/38/644194738.db2.gz YZTKWEMYGVHXIE-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCC(C)(C)CO1)CC2 ZINC000879251199 644194929 /nfs/dbraw/zinc/19/49/29/644194929.db2.gz QOZLWKKOLUKSCP-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582057 644339635 /nfs/dbraw/zinc/33/96/35/644339635.db2.gz PLRFLHRTHVLNMI-IRXDYDNUSA-N 2 0 258.409 2.775 20 0 CFADRP C[C@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000879594665 644342460 /nfs/dbraw/zinc/34/24/60/644342460.db2.gz QBNCJFACLWMLTL-INIZCTEOSA-N 2 0 295.515 2.771 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879597223 644344374 /nfs/dbraw/zinc/34/43/74/644344374.db2.gz ZACPENFURXWTCD-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP CO[C@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879951807 644470453 /nfs/dbraw/zinc/47/04/53/644470453.db2.gz RRBDDJOCYULCOV-IYBDPMFKSA-N 2 0 280.456 2.752 20 0 CFADRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000093067182 650932523 /nfs/dbraw/zinc/93/25/23/650932523.db2.gz KTCJVCWSZQXPBV-UHFFFAOYSA-N 2 0 298.434 2.519 20 0 CFADRP FC[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880236911 644598593 /nfs/dbraw/zinc/59/85/93/644598593.db2.gz LSFXSUQYJJRQEV-GASCZTMLSA-N 2 0 274.399 2.740 20 0 CFADRP FC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880236741 644599100 /nfs/dbraw/zinc/59/91/00/644599100.db2.gz HDNMQJWHPWKIFC-YVFUIXNUSA-N 2 0 286.410 2.906 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880264211 644618471 /nfs/dbraw/zinc/61/84/71/644618471.db2.gz QJZKZVKFJLMFQM-OAHLLOKOSA-N 2 0 267.376 2.792 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2nccs2)C1 ZINC000880317282 644650599 /nfs/dbraw/zinc/65/05/99/644650599.db2.gz QNPIFFRGBLZOOB-UONOGXRCSA-N 2 0 279.453 2.807 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000093491548 650941672 /nfs/dbraw/zinc/94/16/72/650941672.db2.gz DMSHXBZQISPAEO-FGTMMUONSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000093515519 650941810 /nfs/dbraw/zinc/94/18/10/650941810.db2.gz WPLLASUCHGRDPD-HOCLYGCPSA-N 2 0 279.472 2.514 20 0 CFADRP Cn1cc(CCC[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000880517455 644748073 /nfs/dbraw/zinc/74/80/73/644748073.db2.gz RKZTVKIWWBIKIS-UHFFFAOYSA-N 2 0 292.471 2.551 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250386416 650974277 /nfs/dbraw/zinc/97/42/77/650974277.db2.gz XPJQSOFXVWSSSX-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)[NH+]1CCCCC1 ZINC000251181172 650985068 /nfs/dbraw/zinc/98/50/68/650985068.db2.gz HEMQDXHYPYOBIZ-IKGGRYGDSA-N 2 0 281.488 2.761 20 0 CFADRP CC1CC[NH+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000251729946 650993268 /nfs/dbraw/zinc/99/32/68/650993268.db2.gz QKUZYUZNEUUGEG-KZNAEPCWSA-N 2 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882942439 645519624 /nfs/dbraw/zinc/51/96/24/645519624.db2.gz CNVCYWNNWXSJHD-HNNXBMFYSA-N 2 0 288.435 2.581 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000304343281 651022254 /nfs/dbraw/zinc/02/22/54/651022254.db2.gz ZKRCAWQRPJCFJM-XJKSGUPXSA-N 2 0 296.842 2.647 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883028761 645570553 /nfs/dbraw/zinc/57/05/53/645570553.db2.gz UEIQENHCSLJALN-IAGOWNOFSA-N 2 0 288.435 2.722 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000883172585 645640040 /nfs/dbraw/zinc/64/00/40/645640040.db2.gz MKPZTZSZUCZVDT-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2C=CCC2)cc1 ZINC000883238571 645687334 /nfs/dbraw/zinc/68/73/34/645687334.db2.gz GQVYBGRPGJHCGK-HNNXBMFYSA-N 2 0 274.408 2.683 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000131306603 645695293 /nfs/dbraw/zinc/69/52/93/645695293.db2.gz GBDKEJSNLZHLIL-OAHLLOKOSA-N 2 0 294.464 2.612 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H](C)C1 ZINC000883254858 645701005 /nfs/dbraw/zinc/70/10/05/645701005.db2.gz DYBPXATUYCOVSM-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]1SCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000253085759 651036044 /nfs/dbraw/zinc/03/60/44/651036044.db2.gz ZXITUANWSJNHEV-MLQJFRMTSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000883273726 645715445 /nfs/dbraw/zinc/71/54/45/645715445.db2.gz REEAGUYOLJCLPN-UPJWGTAASA-N 2 0 260.372 2.884 20 0 CFADRP COC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000883315280 645734509 /nfs/dbraw/zinc/73/45/09/645734509.db2.gz FEZYYGWHOUZSON-FZNQNYSPSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@H](C)C1 ZINC000883322432 645739842 /nfs/dbraw/zinc/73/98/42/645739842.db2.gz FZDNHQOOWZIILV-OLMNGRFOSA-N 2 0 250.430 2.885 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@H](C)C1 ZINC000883322431 645740018 /nfs/dbraw/zinc/74/00/18/645740018.db2.gz FZDNHQOOWZIILV-LYYZXLFJSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)OCCc3ccccc32)CC[N@@H+]1C ZINC000883340659 645750439 /nfs/dbraw/zinc/75/04/39/645750439.db2.gz WBBBMPIRGFXMSH-UWWQBHOKSA-N 2 0 288.435 2.547 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883415843 645808633 /nfs/dbraw/zinc/80/86/33/645808633.db2.gz FZCMKBUSXFSODD-ZWKOTPCHSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000883417298 645810487 /nfs/dbraw/zinc/81/04/87/645810487.db2.gz VXTGVLPIXCZPKE-WCQYABFASA-N 2 0 260.372 2.871 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000883417296 645811221 /nfs/dbraw/zinc/81/12/21/645811221.db2.gz VXTGVLPIXCZPKE-AAEUAGOBSA-N 2 0 260.372 2.871 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883418076 645812673 /nfs/dbraw/zinc/81/26/73/645812673.db2.gz WKRIPCZOYSMEMC-RWMBFGLXSA-N 2 0 260.372 2.871 20 0 CFADRP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883425218 645818607 /nfs/dbraw/zinc/81/86/07/645818607.db2.gz OSGQPFBGGRWSOZ-FGTMMUONSA-N 2 0 286.419 2.592 20 0 CFADRP [NH3+]C1(C[NH2+]C[C@H]2CCC[C@@H](c3ccccc3)O2)CCC1 ZINC000883425633 645820078 /nfs/dbraw/zinc/82/00/78/645820078.db2.gz ZGSIESWJXOGIGL-CVEARBPZSA-N 2 0 274.408 2.768 20 0 CFADRP CC(C)(C)[C@H](CN)[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000883430295 645823903 /nfs/dbraw/zinc/82/39/03/645823903.db2.gz RRXLPKPMGBNPTJ-NEPJUHHUSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCCC(C)(C)O1)CC[NH2+]CC2 ZINC000883434330 645827931 /nfs/dbraw/zinc/82/79/31/645827931.db2.gz NNCJZWNYGFSDGU-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883434879 645828136 /nfs/dbraw/zinc/82/81/36/645828136.db2.gz DDKYUYUNYVHMPC-QZTJIDSGSA-N 2 0 288.435 2.968 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000883435271 645829090 /nfs/dbraw/zinc/82/90/90/645829090.db2.gz NRSPRUWQGNMDGT-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccccc2Br)C[C@@H]1[NH3+] ZINC000883441673 645834157 /nfs/dbraw/zinc/83/41/57/645834157.db2.gz VDEUHLNWHXUFIW-QWHCGFSZSA-N 2 0 297.240 2.707 20 0 CFADRP c1csc([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000883448498 645837572 /nfs/dbraw/zinc/83/75/72/645837572.db2.gz HBGNQQHBNYHUCI-HNNXBMFYSA-N 2 0 299.443 2.778 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458669 645842257 /nfs/dbraw/zinc/84/22/57/645842257.db2.gz SMZJKABCFMENFV-UHFFFAOYSA-N 2 0 288.435 2.846 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459395 645842308 /nfs/dbraw/zinc/84/23/08/645842308.db2.gz VSOWVTJVLHSZMZ-UHFFFAOYSA-N 2 0 288.435 2.846 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000883460646 645844264 /nfs/dbraw/zinc/84/42/64/645844264.db2.gz CFYQDWRVAKORJV-AWEZNQCLSA-N 2 0 250.411 2.515 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000883462396 645845126 /nfs/dbraw/zinc/84/51/26/645845126.db2.gz QBQMTYQUPAMADY-HNNXBMFYSA-N 2 0 259.397 2.521 20 0 CFADRP CC[C@@H](C(=O)OCCC[NH+]1CCCCC1)[NH+](CC)CC ZINC000800173021 646169014 /nfs/dbraw/zinc/16/90/14/646169014.db2.gz CPWGGVVGRHMLKS-HNNXBMFYSA-N 2 0 284.444 2.526 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884176354 646251564 /nfs/dbraw/zinc/25/15/64/646251564.db2.gz CXFHCGLYXORQCP-HUUCEWRRSA-N 2 0 299.503 2.623 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135373956 646527112 /nfs/dbraw/zinc/52/71/12/646527112.db2.gz JRAIFWJMPAIOII-DLBZAZTESA-N 2 0 281.403 2.951 20 0 CFADRP Fc1cccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000885921145 646769061 /nfs/dbraw/zinc/76/90/61/646769061.db2.gz UCWMLGQFNZXTDM-HKLWWIALSA-N 2 0 274.383 2.913 20 0 CFADRP C[C@H](COCc1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000885954367 646781048 /nfs/dbraw/zinc/78/10/48/646781048.db2.gz VXXSEZBOUNMAPN-INIZCTEOSA-N 2 0 290.451 2.865 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886032767 646831368 /nfs/dbraw/zinc/83/13/68/646831368.db2.gz NMRMVQYWTOBATL-IAGOWNOFSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H](C[NH2+]C/C=C\c1cccc(F)c1)C[NH+](C)C ZINC000886122718 646881142 /nfs/dbraw/zinc/88/11/42/646881142.db2.gz IIAXVHBQTQBDQK-VGVVRCBHSA-N 2 0 250.361 2.626 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000886143203 646892832 /nfs/dbraw/zinc/89/28/32/646892832.db2.gz WHRGCENENLSTQQ-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000886153235 646898498 /nfs/dbraw/zinc/89/84/98/646898498.db2.gz AMOIFZPRYQIOFX-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000886153236 646898757 /nfs/dbraw/zinc/89/87/57/646898757.db2.gz AMOIFZPRYQIOFX-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1coc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000886166962 646904968 /nfs/dbraw/zinc/90/49/68/646904968.db2.gz WZJVRHSIBGZWGI-UHFFFAOYSA-N 2 0 262.397 2.800 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886171863 646906546 /nfs/dbraw/zinc/90/65/46/646906546.db2.gz QIXCFCFBPUKYMJ-DOTOQJQBSA-N 2 0 291.439 2.584 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)CC1(C)C ZINC000886316438 646966822 /nfs/dbraw/zinc/96/68/22/646966822.db2.gz BLKBHBAZWNIWFR-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP c1cc(C[NH+]2C[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886345143 646980111 /nfs/dbraw/zinc/98/01/11/646980111.db2.gz SQSHRQXVVCCEIT-USTZCAOPSA-N 2 0 268.404 2.590 20 0 CFADRP Fc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886348600 646981561 /nfs/dbraw/zinc/98/15/61/646981561.db2.gz PDFIRWUIMXFEQT-GEEKYZPCSA-N 2 0 286.394 2.729 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccnc32)c1 ZINC000886497149 647019848 /nfs/dbraw/zinc/01/98/48/647019848.db2.gz UHTMTSBCFBNBKA-KRWDZBQOSA-N 2 0 281.403 2.920 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[nH]n1 ZINC000886530774 647031930 /nfs/dbraw/zinc/03/19/30/647031930.db2.gz QCMMWVYTPZFKHZ-UHFFFAOYSA-N 2 0 276.428 2.605 20 0 CFADRP CC(C)[C@H](CCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886533205 647033359 /nfs/dbraw/zinc/03/33/59/647033359.db2.gz WRXYVLQCKIEQRF-CGZBRXJRSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1CCCN1CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886534893 647033986 /nfs/dbraw/zinc/03/39/86/647033986.db2.gz QWDKTFDSYXIADQ-WWDZGPRUSA-N 2 0 293.499 2.857 20 0 CFADRP CC[C@@H](O)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886541614 647038963 /nfs/dbraw/zinc/03/89/63/647038963.db2.gz YQDUNJQOOOQSFF-HWOWSKLDSA-N 2 0 268.445 2.534 20 0 CFADRP CCn1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000886548191 647043107 /nfs/dbraw/zinc/04/31/07/647043107.db2.gz YPRFHSBIHNBEAX-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000886555521 647045037 /nfs/dbraw/zinc/04/50/37/647045037.db2.gz VHQCWBZNDTXCNS-CGZBRXJRSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC1)c1cccc(C[NH+](C)C)c1 ZINC000925482788 647053894 /nfs/dbraw/zinc/05/38/94/647053894.db2.gz XJVCNMKGSZXFPX-DOMZBBRYSA-N 2 0 264.438 2.904 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2c(F)cccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925482781 647054031 /nfs/dbraw/zinc/05/40/31/647054031.db2.gz XITSKKQZIQSNSM-KCXAZCMYSA-N 2 0 294.389 2.874 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594371 647059865 /nfs/dbraw/zinc/05/98/65/647059865.db2.gz LFNLQNHPWLSAEI-DOPNRYRRSA-N 2 0 280.456 2.700 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000886599266 647061121 /nfs/dbraw/zinc/06/11/21/647061121.db2.gz VDRFWVPAFUISCK-ORBLRFAASA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886638243 647081845 /nfs/dbraw/zinc/08/18/45/647081845.db2.gz OXMOODNRMYCQQI-ORBLRFAASA-N 2 0 280.456 2.798 20 0 CFADRP CCC1([NH+]2CCC2)CCN(Cc2ccc(CO)cc2)CC1 ZINC000886715954 647120185 /nfs/dbraw/zinc/12/01/85/647120185.db2.gz KKBIVJIBGXEXED-UHFFFAOYSA-N 2 0 288.435 2.629 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000886774016 647133109 /nfs/dbraw/zinc/13/31/09/647133109.db2.gz GCZRWJBNBQYMII-PMPSAXMXSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000886832675 647156929 /nfs/dbraw/zinc/15/69/29/647156929.db2.gz LGIAISLVPGZCQS-IKGGRYGDSA-N 2 0 292.467 2.800 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886837188 647158443 /nfs/dbraw/zinc/15/84/43/647158443.db2.gz CPGXUAFBFOAMNO-NEPJUHHUSA-N 2 0 296.402 2.951 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000220817818 647158499 /nfs/dbraw/zinc/15/84/99/647158499.db2.gz YXGIQTYAWLQRQY-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886838073 647158523 /nfs/dbraw/zinc/15/85/23/647158523.db2.gz QWSXJUFSXRBMPQ-IKGGRYGDSA-N 2 0 262.441 2.744 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CCC3)CO1)CC[NH2+]CC2 ZINC000886839306 647158839 /nfs/dbraw/zinc/15/88/39/647158839.db2.gz BELHVLDCSIJLEH-HZPDHXFCSA-N 2 0 292.467 2.800 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000886840351 647159266 /nfs/dbraw/zinc/15/92/66/647159266.db2.gz ZTWQOWBMLYDWNR-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000886843343 647160332 /nfs/dbraw/zinc/16/03/32/647160332.db2.gz WAQWSFAQNKNFLX-RDJZCZTQSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000886857929 647162515 /nfs/dbraw/zinc/16/25/15/647162515.db2.gz GANPMUUOFOADKK-HUUCEWRRSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000886857927 647162712 /nfs/dbraw/zinc/16/27/12/647162712.db2.gz GANPMUUOFOADKK-CABCVRRESA-N 2 0 293.480 2.706 20 0 CFADRP CC(C)OC(=O)C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000886859878 647162932 /nfs/dbraw/zinc/16/29/32/647162932.db2.gz IORXVLUPAGGYQB-UHFFFAOYSA-N 2 0 284.444 2.559 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871850 647165042 /nfs/dbraw/zinc/16/50/42/647165042.db2.gz CRMOXHBJTWWWEC-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP FC1(F)CC[C@@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886874196 647165120 /nfs/dbraw/zinc/16/51/20/647165120.db2.gz INPNJAMNHHQMGP-ZIAGYGMSSA-N 2 0 272.383 2.887 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871851 647165356 /nfs/dbraw/zinc/16/53/56/647165356.db2.gz CRMOXHBJTWWWEC-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC000886874242 647165774 /nfs/dbraw/zinc/16/57/74/647165774.db2.gz JWXHUMBOWZDINJ-SFHVURJKSA-N 2 0 286.419 2.682 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876056 647166122 /nfs/dbraw/zinc/16/61/22/647166122.db2.gz BOYUZQKZEDQYAG-HOTGVXAUSA-N 2 0 278.440 2.554 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000221682752 647208357 /nfs/dbraw/zinc/20/83/57/647208357.db2.gz JXDFRSGOQKNAPM-CYBMUJFWSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000887134604 647223199 /nfs/dbraw/zinc/22/31/99/647223199.db2.gz MNELGXOEANEIAA-LVQVYYBASA-N 2 0 271.408 2.638 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925497445 647844864 /nfs/dbraw/zinc/84/48/64/647844864.db2.gz WMVAUMSWRVOVSX-KRWDZBQOSA-N 2 0 287.451 2.513 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925494841 647845641 /nfs/dbraw/zinc/84/56/41/647845641.db2.gz LKNHWYXJRBEAQZ-PMPSAXMXSA-N 2 0 281.488 2.602 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925495247 647853224 /nfs/dbraw/zinc/85/32/24/647853224.db2.gz QBLTVCCKWJLSLZ-OWCLPIDISA-N 2 0 276.424 2.870 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000925495270 647853997 /nfs/dbraw/zinc/85/39/97/647853997.db2.gz QCCLNDLXXSSJQW-KFWWJZLASA-N 2 0 296.842 2.869 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1ccccc1 ZINC000925496959 647891481 /nfs/dbraw/zinc/89/14/81/647891481.db2.gz YKUXRVYDCIPUCX-RYTJFDOTSA-N 2 0 258.409 2.725 20 0 CFADRP CSCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924551397 647993143 /nfs/dbraw/zinc/99/31/43/647993143.db2.gz LCSNXVUTQLNIEJ-GFCCVEGCSA-N 2 0 252.427 2.762 20 0 CFADRP CC1(C)CC(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC(C)(C)[NH2+]1 ZINC000924569904 647997700 /nfs/dbraw/zinc/99/77/00/647997700.db2.gz LSCLYQHXRZLTFW-CVEARBPZSA-N 2 0 293.499 2.902 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1OC(F)F ZINC000924591487 648003029 /nfs/dbraw/zinc/00/30/29/648003029.db2.gz IKPKQSQOYKBMQF-NNQSOWQGSA-N 2 0 296.361 2.718 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924604337 648005570 /nfs/dbraw/zinc/00/55/70/648005570.db2.gz RDATZOALEBYSED-QZTJIDSGSA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000924605453 648005804 /nfs/dbraw/zinc/00/58/04/648005804.db2.gz GLHKLULSCCLKDA-MSOLQXFVSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)C[C@H](C[NH2+][C@H](C)Cc1ccccn1)N(C)C ZINC000924630107 648012518 /nfs/dbraw/zinc/01/25/18/648012518.db2.gz XBPNXIOQYUMZDF-GDBMZVCRSA-N 2 0 263.429 2.579 20 0 CFADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924649025 648018032 /nfs/dbraw/zinc/01/80/32/648018032.db2.gz NUFKTVGJYQUCGW-GJZGRUSLSA-N 2 0 286.423 2.684 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924649023 648018440 /nfs/dbraw/zinc/01/84/40/648018440.db2.gz NUFKTVGJYQUCGW-CABCVRRESA-N 2 0 286.423 2.684 20 0 CFADRP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC34CCCCC4)CC[N@@H+]2C1 ZINC000924695446 648028313 /nfs/dbraw/zinc/02/83/13/648028313.db2.gz KKAYSOYRZCXUSE-XHSDSOJGSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(O)cc(F)c1 ZINC000924696961 648029410 /nfs/dbraw/zinc/02/94/10/648029410.db2.gz RMTVXLMJSUOXLT-CQDKDKBSSA-N 2 0 278.371 2.809 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000924761014 648043738 /nfs/dbraw/zinc/04/37/38/648043738.db2.gz NGTAGWGTPDBLRT-XKQJLSEDSA-N 2 0 276.424 2.702 20 0 CFADRP COC[C@H](C)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924793959 648049272 /nfs/dbraw/zinc/04/92/72/648049272.db2.gz XDCYDMPJHOXUHQ-ZIAGYGMSSA-N 2 0 264.413 2.681 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(C2CCC2)c1 ZINC000924852143 648059845 /nfs/dbraw/zinc/05/98/45/648059845.db2.gz DXJIVYIETFNBTA-ZDUSSCGKSA-N 2 0 264.417 2.601 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000924912501 648071179 /nfs/dbraw/zinc/07/11/79/648071179.db2.gz OLOMGOKTSHBSOJ-INIZCTEOSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000924929378 648073896 /nfs/dbraw/zinc/07/38/96/648073896.db2.gz FRLZUZBFBDFXMP-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](C3CC3)C(C)(C)C)C2)CC1 ZINC000925039159 648092505 /nfs/dbraw/zinc/09/25/05/648092505.db2.gz BBEBLAMEGHUXKD-NVXWUHKLSA-N 2 0 293.499 2.569 20 0 CFADRP CCC[C@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925040714 648092860 /nfs/dbraw/zinc/09/28/60/648092860.db2.gz KZBLSIRJKXUCFU-CJNGLKHVSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048045 648094492 /nfs/dbraw/zinc/09/44/92/648094492.db2.gz DEWXIDKAALUBCR-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP CSCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925092700 648104244 /nfs/dbraw/zinc/10/42/44/648104244.db2.gz CJKCDTMBOICXLN-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000925149521 648117742 /nfs/dbraw/zinc/11/77/42/648117742.db2.gz AUWDBNRXIJDXQL-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1cn2c(n1)CCCC2 ZINC000925167493 648122361 /nfs/dbraw/zinc/12/23/61/648122361.db2.gz CRIHLIJPSUCLGM-KGLIPLIRSA-N 2 0 299.422 2.644 20 0 CFADRP c1cn2c(n1)[C@H](C[NH2+][C@H]1CC3CCC1CC3)CCC2 ZINC000925167667 648122465 /nfs/dbraw/zinc/12/24/65/648122465.db2.gz DBZINKRBBPYOIR-WUCCLRPBSA-N 2 0 259.397 2.929 20 0 CFADRP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925188153 648127256 /nfs/dbraw/zinc/12/72/56/648127256.db2.gz RQBWVZGZZPVXPI-CVEARBPZSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000925222032 648135123 /nfs/dbraw/zinc/13/51/23/648135123.db2.gz QIHGLCLVBXWJQJ-FZKCQIBNSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cn(C)cn1 ZINC000925227185 648136507 /nfs/dbraw/zinc/13/65/07/648136507.db2.gz BTSRKJWDJFOLNQ-QQFBHYJXSA-N 2 0 290.455 2.868 20 0 CFADRP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCC1 ZINC000925240199 648139572 /nfs/dbraw/zinc/13/95/72/648139572.db2.gz NUYWZOVAXYJVBY-MQVJKMGUSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925303090 648153355 /nfs/dbraw/zinc/15/33/55/648153355.db2.gz LKDXPHSVDGIJJG-GOEBONIOSA-N 2 0 270.461 2.779 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1(Cl)CC1 ZINC000925436125 648168487 /nfs/dbraw/zinc/16/84/87/648168487.db2.gz DAFZHGKWWXAGPK-MGPQQGTHSA-N 2 0 288.863 2.625 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925492035 648182114 /nfs/dbraw/zinc/18/21/14/648182114.db2.gz FDUIFNXVYHNMRB-GJZGRUSLSA-N 2 0 276.424 2.733 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925488361 648182184 /nfs/dbraw/zinc/18/21/84/648182184.db2.gz SJGCFVILNBIIGH-CVEARBPZSA-N 2 0 279.472 2.515 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925505886 648189117 /nfs/dbraw/zinc/18/91/17/648189117.db2.gz PFMSGDKLKHNACF-CABCVRRESA-N 2 0 276.424 2.733 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925507716 648189894 /nfs/dbraw/zinc/18/98/94/648189894.db2.gz CHSQKCZTXGRBTB-GDWYVASHSA-N 2 0 270.420 2.685 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCSCc2ccccc2F)C12CCC2 ZINC000925513584 648192635 /nfs/dbraw/zinc/19/26/35/648192635.db2.gz KHTUXGPPIAZFSY-CABCVRRESA-N 2 0 294.439 2.918 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(-n2ccnc2)c1 ZINC000925517508 648195485 /nfs/dbraw/zinc/19/54/85/648195485.db2.gz VUESIGHAYWHNLL-RRQGHBQHSA-N 2 0 296.418 2.793 20 0 CFADRP COc1ccc(OC)c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925518247 648195525 /nfs/dbraw/zinc/19/55/25/648195525.db2.gz NVDTWBQHRUQJJG-ZIAGYGMSSA-N 2 0 292.423 2.699 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccsc1 ZINC000925518563 648195697 /nfs/dbraw/zinc/19/56/97/648195697.db2.gz ZCXKOIJMIWENNQ-HRCADAONSA-N 2 0 294.464 2.539 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Cc1cccs1 ZINC000925519176 648196282 /nfs/dbraw/zinc/19/62/82/648196282.db2.gz SSBFFTDPAPSVBF-FPMFFAJLSA-N 2 0 264.438 2.786 20 0 CFADRP [NH3+][C@@H]1C[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C12CCC2 ZINC000925519956 648196482 /nfs/dbraw/zinc/19/64/82/648196482.db2.gz UBHDTYIZMBSONV-RCCFBDPRSA-N 2 0 299.462 2.683 20 0 CFADRP C[C@H]([NH3+])[C@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925520363 648196684 /nfs/dbraw/zinc/19/66/84/648196684.db2.gz RRXYKPGTMZQMSK-RDJZCZTQSA-N 2 0 275.440 2.541 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000925523661 648198283 /nfs/dbraw/zinc/19/82/83/648198283.db2.gz NFHQEODPCZRRBD-GJZGRUSLSA-N 2 0 276.424 2.951 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925524686 648199537 /nfs/dbraw/zinc/19/95/37/648199537.db2.gz YICQBBTWPFNHKE-JHJVBQTASA-N 2 0 254.443 2.535 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCOc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925524792 648199579 /nfs/dbraw/zinc/19/95/79/648199579.db2.gz ZMBCGLHGKAYUNG-IKGGRYGDSA-N 2 0 288.435 2.822 20 0 CFADRP C[C@H]([NH3+])[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925524861 648199692 /nfs/dbraw/zinc/19/96/92/648199692.db2.gz AZPDTBDNMMELHD-KXBFYZLASA-N 2 0 297.446 2.926 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C(C)(C)C ZINC000925525945 648200329 /nfs/dbraw/zinc/20/03/29/648200329.db2.gz GPYSOEOSTREBNC-HRCADAONSA-N 2 0 282.472 2.805 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000925528243 648201332 /nfs/dbraw/zinc/20/13/32/648201332.db2.gz QYBGSAGPEXSVPP-CHWSQXEVSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc2cccnc21 ZINC000925532239 648203697 /nfs/dbraw/zinc/20/36/97/648203697.db2.gz VQCZVJDXBZCQMP-GIOYIUAESA-N 2 0 295.430 2.883 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)C12CCC2 ZINC000925533548 648204537 /nfs/dbraw/zinc/20/45/37/648204537.db2.gz NNDUWRGXLMWJMA-LSDHHAIUSA-N 2 0 256.393 2.578 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000925535590 648205196 /nfs/dbraw/zinc/20/51/96/648205196.db2.gz ZLFDMULXTKIJLK-MRXNPFEDSA-N 2 0 276.424 2.714 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)CC(C)C ZINC000925535627 648205781 /nfs/dbraw/zinc/20/57/81/648205781.db2.gz HVLXATVMIWCWIL-HRCADAONSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925541666 648207631 /nfs/dbraw/zinc/20/76/31/648207631.db2.gz LMBGNQVXVYJFLG-CABCVRRESA-N 2 0 276.399 2.963 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925541407 648208255 /nfs/dbraw/zinc/20/82/55/648208255.db2.gz IKJHCEKYJJDRPW-IAGOWNOFSA-N 3 0 293.499 2.604 20 0 CFADRP C1CC2(C1)[NH2+]CC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541375 648208304 /nfs/dbraw/zinc/20/83/04/648208304.db2.gz HWTVPTOSBQZFIL-OFLPRAFFSA-N 3 0 291.483 2.658 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925543478 648208691 /nfs/dbraw/zinc/20/86/91/648208691.db2.gz UGWPQNCFBLTCIQ-DQVOVIAYSA-N 2 0 294.483 2.950 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925543297 648208902 /nfs/dbraw/zinc/20/89/02/648208902.db2.gz RNBKIUPIXBFWKB-MHORFTMASA-N 2 0 293.499 2.617 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)sc1C ZINC000925559152 648216779 /nfs/dbraw/zinc/21/67/79/648216779.db2.gz IYVMXTWISDZWDD-SNPRPXQTSA-N 2 0 293.480 2.669 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000925559747 648216831 /nfs/dbraw/zinc/21/68/31/648216831.db2.gz JQWBVJCVYQNLGX-PEZLKRJXSA-N 2 0 294.483 2.779 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cs1 ZINC000925563820 648218830 /nfs/dbraw/zinc/21/88/30/648218830.db2.gz FNNJIOAPHORXFK-QWHCGFSZSA-N 2 0 279.453 2.669 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C12CCC2 ZINC000925566180 648219847 /nfs/dbraw/zinc/21/98/47/648219847.db2.gz FREDWMWVKZUTMQ-CABCVRRESA-N 2 0 262.372 2.618 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925568313 648220791 /nfs/dbraw/zinc/22/07/91/648220791.db2.gz JCCCZDWOGWIKIJ-CABCVRRESA-N 2 0 275.440 2.748 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(Cl)c1 ZINC000925571258 648222463 /nfs/dbraw/zinc/22/24/63/648222463.db2.gz BTQCWJYZRWLKMX-RBSFLKMASA-N 2 0 294.826 2.887 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(Cl)c1 ZINC000925573313 648223898 /nfs/dbraw/zinc/22/38/98/648223898.db2.gz MUEIZKVFSWPDOK-BYCMXARLSA-N 2 0 294.826 2.967 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925576649 648224483 /nfs/dbraw/zinc/22/44/83/648224483.db2.gz YGNSRFZJGQENOB-IWCQGFGOSA-N 2 0 290.451 2.994 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)CC2)cc1 ZINC000925583409 648227292 /nfs/dbraw/zinc/22/72/92/648227292.db2.gz DYXPXUWHNJRNIJ-LSDHHAIUSA-N 2 0 272.392 2.544 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1Cl ZINC000925584017 648227723 /nfs/dbraw/zinc/22/77/23/648227723.db2.gz OUCCENXNBPYSJG-ILXRZTDVSA-N 2 0 294.826 2.887 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925584994 648227741 /nfs/dbraw/zinc/22/77/41/648227741.db2.gz QZFMCBZHTSTNBV-OAHLLOKOSA-N 2 0 280.456 2.848 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ccc(F)c(F)c2)C1 ZINC000925592240 648230916 /nfs/dbraw/zinc/23/09/16/648230916.db2.gz GVPJBENVEFCSMV-RYUDHWBXSA-N 2 0 298.377 2.839 20 0 CFADRP [NH3+][C@H]1C[C@@H](N[C@@H]2CCOc3c(F)cccc32)C12CCC2 ZINC000925605703 648236105 /nfs/dbraw/zinc/23/61/05/648236105.db2.gz SCDGJCNTJWIPRX-HZSPNIEDSA-N 2 0 276.355 2.509 20 0 CFADRP COc1cc(C)cc(CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925620995 648243775 /nfs/dbraw/zinc/24/37/75/648243775.db2.gz FEWHSHKXDWXLDQ-MRXNPFEDSA-N 2 0 274.408 2.768 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925624518 648245582 /nfs/dbraw/zinc/24/55/82/648245582.db2.gz YXDSQBUGZONIHL-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP Oc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925623336 648245602 /nfs/dbraw/zinc/24/56/02/648245602.db2.gz ULIHPRYWMKSLLU-ROUUACIJSA-N 2 0 288.435 2.693 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925628067 648248107 /nfs/dbraw/zinc/24/81/07/648248107.db2.gz YBRVOLQDXWZGKJ-HZPDHXFCSA-N 2 0 280.456 2.561 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925632053 648251516 /nfs/dbraw/zinc/25/15/16/648251516.db2.gz ZIQUIMSIHAWHHD-FRRDWIJNSA-N 2 0 272.383 2.931 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925633509 648252600 /nfs/dbraw/zinc/25/26/00/648252600.db2.gz DLIPMFJUFWRQAL-IXDOHACOSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1C[C@H]([NH3+])C13CCC3)CCC2 ZINC000925633494 648252769 /nfs/dbraw/zinc/25/27/69/648252769.db2.gz YBFGXOAEUWUZMR-AGIUHOORSA-N 2 0 277.437 2.688 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)C12CCC2 ZINC000925637025 648254637 /nfs/dbraw/zinc/25/46/37/648254637.db2.gz GTCFCXVMRQKOQV-NWDGAFQWSA-N 2 0 284.325 2.506 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925637445 648255148 /nfs/dbraw/zinc/25/51/48/648255148.db2.gz LFMYGNFFPSUNKG-ZNMIVQPWSA-N 2 0 294.439 2.723 20 0 CFADRP CC1(C)[C@@H]([NH2+]C2Cc3ccccc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925638439 648256401 /nfs/dbraw/zinc/25/64/01/648256401.db2.gz BUEQLWOZLMXFFK-IKGGRYGDSA-N 2 0 270.420 2.520 20 0 CFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000925641254 648257441 /nfs/dbraw/zinc/25/74/41/648257441.db2.gz LPILINUCJYJAFP-UAGQMJEPSA-N 2 0 287.451 2.552 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646276 648260242 /nfs/dbraw/zinc/26/02/42/648260242.db2.gz XPEBYGQQOONJHN-DCAQKATOSA-N 2 0 264.335 2.823 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925649375 648261492 /nfs/dbraw/zinc/26/14/92/648261492.db2.gz JUOCYBWQEYGQTK-GQKFXUNGSA-N 2 0 268.445 2.687 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925651596 648261527 /nfs/dbraw/zinc/26/15/27/648261527.db2.gz GZYDRCOSYGJXTF-JKSUJKDBSA-N 2 0 273.424 2.868 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)C[C@@H]([NH3+])C1 ZINC000925653633 648263632 /nfs/dbraw/zinc/26/36/32/648263632.db2.gz IMRWQPVJTMEVSS-OAGGEKHMSA-N 2 0 282.472 2.671 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C12CCC2 ZINC000925654051 648263853 /nfs/dbraw/zinc/26/38/53/648263853.db2.gz KUOSXWYLXAFNNF-BRWVUGGUSA-N 2 0 291.483 2.643 20 0 CFADRP FC1(F)CC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925653724 648263920 /nfs/dbraw/zinc/26/39/20/648263920.db2.gz ZBHAOYYATUSOSJ-STQMWFEESA-N 2 0 258.356 2.542 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925656650 648265055 /nfs/dbraw/zinc/26/50/55/648265055.db2.gz ZBAKKCJJAGZNPP-VUROTCPHSA-N 2 0 270.420 2.966 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000925657292 648266803 /nfs/dbraw/zinc/26/68/03/648266803.db2.gz SCWFBNSJOOINML-HAXBKTOASA-N 2 0 280.456 2.510 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925664467 648269543 /nfs/dbraw/zinc/26/95/43/648269543.db2.gz FEXJMBIPXRJPPS-GVDBMIGSSA-N 2 0 290.451 2.832 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925664031 648269846 /nfs/dbraw/zinc/26/98/46/648269846.db2.gz CVJINQOBYGGROL-GDBMZVCRSA-N 2 0 275.440 2.818 20 0 CFADRP CC1(C)SC[C@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925668101 648270500 /nfs/dbraw/zinc/27/05/00/648270500.db2.gz URWVTJPJFTWHDX-ZIAGYGMSSA-N 2 0 264.438 2.950 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925668088 648270628 /nfs/dbraw/zinc/27/06/28/648270628.db2.gz URWVTJPJFTWHDX-KBPBESRZSA-N 2 0 264.438 2.950 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@H]1COc2ccccc21)c1ccccc1 ZINC000925669940 648271876 /nfs/dbraw/zinc/27/18/76/648271876.db2.gz ZERSBMVEAKCXIV-DHSIGJKJSA-N 2 0 282.387 2.841 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676399 648275356 /nfs/dbraw/zinc/27/53/56/648275356.db2.gz ITUVDXDCZBZQOI-BBWFWOEESA-N 3 0 293.499 2.619 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925678022 648276679 /nfs/dbraw/zinc/27/66/79/648276679.db2.gz SCVGGZKAASSOTI-OAGGEKHMSA-N 2 0 282.472 2.671 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000925679478 648277517 /nfs/dbraw/zinc/27/75/17/648277517.db2.gz CZYHUBDUXVJPDJ-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925684747 648279716 /nfs/dbraw/zinc/27/97/16/648279716.db2.gz CYKKCMAQHJCOKD-SJLPKXTDSA-N 3 0 289.467 2.788 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925687958 648280309 /nfs/dbraw/zinc/28/03/09/648280309.db2.gz AQYBCFRBOLBILB-IAGOWNOFSA-N 2 0 294.483 2.951 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)CC(F)(F)F ZINC000925694205 648284364 /nfs/dbraw/zinc/28/43/64/648284364.db2.gz FJPVJXTYFHQYEF-UWVGGRQHSA-N 2 0 252.324 2.695 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc2ccccc2c1 ZINC000925700246 648285150 /nfs/dbraw/zinc/28/51/50/648285150.db2.gz OIIMPGDUKLARPH-RCCFBDPRSA-N 2 0 295.430 2.699 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925702986 648286529 /nfs/dbraw/zinc/28/65/29/648286529.db2.gz RAUKTOXCQPJFMV-IBGZPJMESA-N 3 0 297.446 2.976 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2COc3cc(F)ccc3C2)C[C@@H]([NH3+])C1 ZINC000925704784 648287019 /nfs/dbraw/zinc/28/70/19/648287019.db2.gz FEXYQPOZVODWOJ-QLFBSQMISA-N 2 0 292.398 2.625 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1(F)F ZINC000925706513 648288853 /nfs/dbraw/zinc/28/88/53/648288853.db2.gz KSVSNVUDXTZGFE-WISYIIOYSA-N 2 0 272.383 2.644 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)C[C@@H]([NH3+])C1 ZINC000925706085 648288875 /nfs/dbraw/zinc/28/88/75/648288875.db2.gz FDNCFQJXTDPJQC-NOXHYTERSA-N 2 0 274.408 2.660 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925707202 648289942 /nfs/dbraw/zinc/28/99/42/648289942.db2.gz CYCJQKPXYAZCPY-ZWKOTPCHSA-N 3 0 295.515 2.722 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000925709220 648290200 /nfs/dbraw/zinc/29/02/00/648290200.db2.gz UCUQQLJGSAUFAW-OCWNADIQSA-N 2 0 274.383 2.729 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C)[NH2+]2 ZINC000925710496 648290440 /nfs/dbraw/zinc/29/04/40/648290440.db2.gz LDQKZTBCINSLMW-PKCACUDHSA-N 2 0 250.430 2.930 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C12CCC2 ZINC000925713884 648292305 /nfs/dbraw/zinc/29/23/05/648292305.db2.gz VWYUXGVMLDUROS-FPCVCCKLSA-N 2 0 256.393 2.650 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925715455 648294210 /nfs/dbraw/zinc/29/42/10/648294210.db2.gz DNBYWUYAAXGKOX-CHWSQXEVSA-N 2 0 280.387 2.830 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925721644 648296803 /nfs/dbraw/zinc/29/68/03/648296803.db2.gz PPRZFKUZURXBFD-MELADBBJSA-N 2 0 272.383 2.790 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925720854 648297112 /nfs/dbraw/zinc/29/71/12/648297112.db2.gz VFNFAEJVPWBYFY-UKRRQHHQSA-N 2 0 273.424 2.527 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)CO2 ZINC000925723334 648297675 /nfs/dbraw/zinc/29/76/75/648297675.db2.gz PYWVTABRNDKVRU-ILXRZTDVSA-N 2 0 288.435 2.794 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925726031 648298890 /nfs/dbraw/zinc/29/88/90/648298890.db2.gz PPCZZAKRPVGXCX-XIRDDKMYSA-N 3 0 275.440 2.574 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)OCC ZINC000925723552 648299166 /nfs/dbraw/zinc/29/91/66/648299166.db2.gz RBUCUSLNYLWUJZ-BRWVUGGUSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726814 648300113 /nfs/dbraw/zinc/30/01/13/648300113.db2.gz WLAAPEUQSVCMQI-IAGOWNOFSA-N 3 0 289.467 2.834 20 0 CFADRP CCSc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000925731497 648300656 /nfs/dbraw/zinc/30/06/56/648300656.db2.gz LDKWWVGCCWOFSP-UHOFOFEASA-N 2 0 294.464 2.641 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925733396 648301819 /nfs/dbraw/zinc/30/18/19/648301819.db2.gz ICLAAEAYAAASKZ-LSDHHAIUSA-N 2 0 298.471 2.724 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1ccns1)c1ccccc1 ZINC000925733778 648302297 /nfs/dbraw/zinc/30/22/97/648302297.db2.gz XSPNJWNBPFBZQP-HNNXBMFYSA-N 2 0 275.421 2.755 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925736751 648304416 /nfs/dbraw/zinc/30/44/16/648304416.db2.gz OMPGMSKHVKTORT-AGIUHOORSA-N 2 0 260.372 2.790 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000925736716 648304511 /nfs/dbraw/zinc/30/45/11/648304511.db2.gz NSNQIDUYXQBIIU-YNEHKIRRSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(-n2cccn2)cc1 ZINC000925741845 648305453 /nfs/dbraw/zinc/30/54/53/648305453.db2.gz UNRJQVQPZJPXFR-ZDUSSCGKSA-N 2 0 272.396 2.650 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CCC(C)(C)[NH3+])s1 ZINC000925739997 648305790 /nfs/dbraw/zinc/30/57/90/648305790.db2.gz FWJCIXPUKACFEG-VIFPVBQESA-N 2 0 255.431 2.792 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCc2cscc2Cl)C12CCC2 ZINC000925772396 648316109 /nfs/dbraw/zinc/31/61/09/648316109.db2.gz SNHKOHAIQPYNAB-WDEREUQCSA-N 2 0 256.802 2.761 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC2(CCC2)CO1 ZINC000925775063 648317340 /nfs/dbraw/zinc/31/73/40/648317340.db2.gz ZPCIVBNCHUHVCP-ULQDDVLXSA-N 2 0 292.467 2.704 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)C1 ZINC000925774292 648317636 /nfs/dbraw/zinc/31/76/36/648317636.db2.gz MCAHCVKOOKSAJU-RBSFLKMASA-N 2 0 280.456 2.831 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000925779515 648319520 /nfs/dbraw/zinc/31/95/20/648319520.db2.gz OLBWOKRBNYYEBC-GHMZBOCLSA-N 2 0 274.380 2.952 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779811 648320273 /nfs/dbraw/zinc/32/02/73/648320273.db2.gz BWHKDOXIKSPBPQ-QNWHQSFQSA-N 2 0 260.372 2.646 20 0 CFADRP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925782080 648321546 /nfs/dbraw/zinc/32/15/46/648321546.db2.gz KOIUJYOPQDTRJA-RYUDHWBXSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1nccc2ccccc21 ZINC000925786824 648323169 /nfs/dbraw/zinc/32/31/69/648323169.db2.gz VNZCALZUOSRIBE-IPYPFGDCSA-N 2 0 269.392 2.741 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000925792725 648325797 /nfs/dbraw/zinc/32/57/97/648325797.db2.gz VYLJRKOQGSZPQT-GMXABZIVSA-N 2 0 264.800 2.772 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925799878 648327046 /nfs/dbraw/zinc/32/70/46/648327046.db2.gz OTUGERMUIINQQM-IJEWVQPXSA-N 2 0 276.424 2.982 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000925800493 648327232 /nfs/dbraw/zinc/32/72/32/648327232.db2.gz SCWLIBUSQGNUGG-YRGRVCCFSA-N 2 0 264.438 2.961 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@]23C[C@H]2CCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925800972 648327310 /nfs/dbraw/zinc/32/73/10/648327310.db2.gz HURYJORDICCQPP-GAGVYUBLSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2sccc21 ZINC000925800490 648327373 /nfs/dbraw/zinc/32/73/73/648327373.db2.gz SCWLIBUSQGNUGG-BZPMIXESSA-N 2 0 264.438 2.961 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000925803738 648328288 /nfs/dbraw/zinc/32/82/88/648328288.db2.gz UDFQELIDBOOBBL-AXAPSJFSSA-N 2 0 277.387 2.507 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCc2ccccc2CC1 ZINC000925802372 648328337 /nfs/dbraw/zinc/32/83/37/648328337.db2.gz FLBDRHQXQZXMTQ-RHSMWYFYSA-N 2 0 272.436 2.769 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000925803580 648328467 /nfs/dbraw/zinc/32/84/67/648328467.db2.gz RMXUXVCRNZTUBT-XPKDYRNWSA-N 2 0 296.842 2.863 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000925804828 648329145 /nfs/dbraw/zinc/32/91/45/648329145.db2.gz MXWMZFQCWCBSHS-HILJTLORSA-N 2 0 272.436 2.971 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)n(C)n1 ZINC000925807984 648330095 /nfs/dbraw/zinc/33/00/95/648330095.db2.gz MDMKBMWBRGCKMI-HNNXBMFYSA-N 2 0 292.471 2.939 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000925807115 648330324 /nfs/dbraw/zinc/33/03/24/648330324.db2.gz INEGAVYCKYRQQO-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000925811045 648330646 /nfs/dbraw/zinc/33/06/46/648330646.db2.gz BUEOHGURGZTCLA-RCCFBDPRSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)c(Cl)c1 ZINC000925811763 648331021 /nfs/dbraw/zinc/33/10/21/648331021.db2.gz ROQZAVUAYQIKLK-NSHDSACASA-N 2 0 299.821 2.553 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925816695 648332737 /nfs/dbraw/zinc/33/27/37/648332737.db2.gz IYGZMIMHBHZDSA-UHFFFAOYSA-N 3 0 281.488 2.620 20 0 CFADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000925817981 648332934 /nfs/dbraw/zinc/33/29/34/648332934.db2.gz YPOYJUYZYURUDI-INIZCTEOSA-N 2 0 279.472 2.502 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925824767 648334250 /nfs/dbraw/zinc/33/42/50/648334250.db2.gz VMRFIEDADHIPOA-PVHWUHCKSA-N 2 0 298.430 2.876 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925831181 648336476 /nfs/dbraw/zinc/33/64/76/648336476.db2.gz IRJXDVLNGIQOQF-YLFCFFPRSA-N 2 0 280.456 2.846 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925829866 648336738 /nfs/dbraw/zinc/33/67/38/648336738.db2.gz ALNWURPBQVAOIE-WHOHXGKFSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925831177 648336751 /nfs/dbraw/zinc/33/67/51/648336751.db2.gz IRJXDVLNGIQOQF-QBPKDAKJSA-N 2 0 280.456 2.846 20 0 CFADRP [NH3+]C1CCC([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000925837036 648339296 /nfs/dbraw/zinc/33/92/96/648339296.db2.gz BUJNCFGGVXUJPZ-NEXFUWMNSA-N 2 0 280.362 2.895 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000925840918 648341670 /nfs/dbraw/zinc/34/16/70/648341670.db2.gz DRDXYXVVFHHHPS-XGWLTEMNSA-N 2 0 290.455 2.703 20 0 CFADRP C(CC[NH2+][C@H](C1CC1)C1CCCC1)CCN1CC[NH2+]CC1 ZINC000925842343 648342431 /nfs/dbraw/zinc/34/24/31/648342431.db2.gz LVVZFCXOMLNCJL-SFHVURJKSA-N 2 0 293.499 2.620 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845293 648343525 /nfs/dbraw/zinc/34/35/25/648343525.db2.gz FYWXSXGSHGTAAS-SJORKVTESA-N 2 0 281.488 2.620 20 0 CFADRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccc1F ZINC000925849578 648344463 /nfs/dbraw/zinc/34/44/63/648344463.db2.gz PYYXGWWRRCTSEU-HNNXBMFYSA-N 2 0 293.430 2.552 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000925871742 648350808 /nfs/dbraw/zinc/35/08/08/648350808.db2.gz GILITYYEBVVJGF-QLFBSQMISA-N 2 0 259.397 2.566 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000925877116 648353156 /nfs/dbraw/zinc/35/31/56/648353156.db2.gz LPCFTUFFZVBLPG-VHDGCEQUSA-N 2 0 292.423 2.872 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(F)c1 ZINC000925877770 648353209 /nfs/dbraw/zinc/35/32/09/648353209.db2.gz XBZYOBQZJMYCKR-UTUOFQBUSA-N 2 0 266.360 2.612 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccnn1-c1ccccc1 ZINC000925879495 648353715 /nfs/dbraw/zinc/35/37/15/648353715.db2.gz FTVYMBSGAYPJRN-ZNMIVQPWSA-N 2 0 284.407 2.650 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000925879498 648353722 /nfs/dbraw/zinc/35/37/22/648353722.db2.gz GANORPDOCDSUSU-XRNSZHNASA-N 2 0 284.325 2.808 20 0 CFADRP COc1ncc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000925879563 648353853 /nfs/dbraw/zinc/35/38/53/648353853.db2.gz HYVSLMINNMSMHL-UMNHJUIQSA-N 2 0 283.803 2.522 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000925882475 648354511 /nfs/dbraw/zinc/35/45/11/648354511.db2.gz MYOJUSFHGDNVDR-ZVWUFJHRSA-N 2 0 266.335 2.669 20 0 CFADRP CCn1cc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cn1 ZINC000925887441 648356534 /nfs/dbraw/zinc/35/65/34/648356534.db2.gz CYMMXXNSFJCZQL-OLMNPRSZSA-N 2 0 298.434 2.613 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC000925893488 648357773 /nfs/dbraw/zinc/35/77/73/648357773.db2.gz OOSSHNBIIHISRZ-MGPQQGTHSA-N 2 0 266.429 2.584 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926113514 648407447 /nfs/dbraw/zinc/40/74/47/648407447.db2.gz GTDNORGPTQNAMQ-GDBMZVCRSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000926142955 648415222 /nfs/dbraw/zinc/41/52/22/648415222.db2.gz MFTCHJSAOIKWCF-KURKYZTESA-N 2 0 293.499 2.857 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276612 648453595 /nfs/dbraw/zinc/45/35/95/648453595.db2.gz YPOFFRURIMLBJQ-CVEARBPZSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311496 648459691 /nfs/dbraw/zinc/45/96/91/648459691.db2.gz YRVZBHUQOOFOBU-OAHLLOKOSA-N 2 0 289.423 2.824 20 0 CFADRP CC[C@@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)OC ZINC000926453032 648493513 /nfs/dbraw/zinc/49/35/13/648493513.db2.gz AQRCKUBROUZLJL-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926456566 648495348 /nfs/dbraw/zinc/49/53/48/648495348.db2.gz JLANCAOSSAULLY-KDOFPFPSSA-N 2 0 290.451 2.950 20 0 CFADRP C(CC[NH2+][C@H]1CCCN2CCCC[C@H]12)CC[NH+]1CCCC1 ZINC000926486469 648505941 /nfs/dbraw/zinc/50/59/41/648505941.db2.gz HBUPCAVGRKKIBF-ZWKOTPCHSA-N 3 0 293.499 2.859 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926488518 648506756 /nfs/dbraw/zinc/50/67/56/648506756.db2.gz FLYVXYVOWFYJCH-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[C@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)OC ZINC000926503765 648511753 /nfs/dbraw/zinc/51/17/53/648511753.db2.gz XYXLGUBKPULDRK-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]([NH2+]CCC1(CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926535255 648522255 /nfs/dbraw/zinc/52/22/55/648522255.db2.gz PHPXTSVVSICTKR-CQSZACIVSA-N 2 0 276.424 2.561 20 0 CFADRP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926538075 648524522 /nfs/dbraw/zinc/52/45/22/648524522.db2.gz BNMDRYUVENHKGC-PBHICJAKSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566485 648535625 /nfs/dbraw/zinc/53/56/25/648535625.db2.gz BXXFHCCHOCWEJQ-GOEBONIOSA-N 2 0 275.396 2.754 20 0 CFADRP CC1(C)CC2(CC([NH2+]Cc3ccc4c[nH+]cn4c3)C2)CO1 ZINC000926569022 648537170 /nfs/dbraw/zinc/53/71/70/648537170.db2.gz WPAZODRKXZRDIC-UHFFFAOYSA-N 2 0 285.391 2.772 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000926571778 648537729 /nfs/dbraw/zinc/53/77/29/648537729.db2.gz BYZMCKQNKXHJTP-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(O)cc(F)c1 ZINC000926573197 648537742 /nfs/dbraw/zinc/53/77/42/648537742.db2.gz JGSXJJMSUNNIIQ-STQMWFEESA-N 2 0 280.387 2.914 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnn(C2CCC2)c1 ZINC000926571709 648538112 /nfs/dbraw/zinc/53/81/12/648538112.db2.gz AOYVVONUZXPLSX-HUUCEWRRSA-N 2 0 290.455 2.991 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926606540 648550190 /nfs/dbraw/zinc/55/01/90/648550190.db2.gz NDIFSRBWDAHGGZ-SSHXOBKSSA-N 2 0 268.445 2.510 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000926605574 648550415 /nfs/dbraw/zinc/55/04/15/648550415.db2.gz FTDGOIBFILPLAI-OTBWCIGPSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C[NH+](C)C)c1 ZINC000926648744 648562111 /nfs/dbraw/zinc/56/21/11/648562111.db2.gz YDGRUIZNSBSKEZ-DXEWXGHRSA-N 2 0 274.408 2.719 20 0 CFADRP C[C@H]([NH2+]CCC1(CO)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926660263 648565217 /nfs/dbraw/zinc/56/52/17/648565217.db2.gz YNDRIODJVOXOJY-HNNXBMFYSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926680973 648573769 /nfs/dbraw/zinc/57/37/69/648573769.db2.gz SXWGBWFYBPXZAE-SUMWQHHRSA-N 2 0 276.424 2.560 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000926695403 648579221 /nfs/dbraw/zinc/57/92/21/648579221.db2.gz DFZJLACOPWUGRL-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1(Cl)CC1 ZINC000926733629 648595705 /nfs/dbraw/zinc/59/57/05/648595705.db2.gz WENFHWSPCNLIGT-GFCCVEGCSA-N 2 0 270.848 2.858 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)CO1 ZINC000926737256 648596571 /nfs/dbraw/zinc/59/65/71/648596571.db2.gz DTQKQSHHUNGMCR-VFPGXZCRSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000926761717 648605826 /nfs/dbraw/zinc/60/58/26/648605826.db2.gz FEIXKTOTDKZYJO-RHSMWYFYSA-N 2 0 273.424 2.619 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926766776 648607566 /nfs/dbraw/zinc/60/75/66/648607566.db2.gz DZRPEIFOUCACIZ-DOPJRALCSA-N 2 0 288.435 2.966 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)on1 ZINC000926796718 648619734 /nfs/dbraw/zinc/61/97/34/648619734.db2.gz LVOHKWHGVIOCCQ-XIKARTHZSA-N 2 0 281.400 2.597 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926796818 648620026 /nfs/dbraw/zinc/62/00/26/648620026.db2.gz NDTVZERYRNBJIQ-ILGZHXLLSA-N 2 0 268.445 2.510 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000926947975 648668309 /nfs/dbraw/zinc/66/83/09/648668309.db2.gz GVCKDTDVYIALPV-NNYUYHANSA-N 2 0 264.335 2.505 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)[C@@H]2CCC[C@H]21 ZINC000927009003 648681060 /nfs/dbraw/zinc/68/10/60/648681060.db2.gz BCSNKOUYJQHKQT-LUKYLMHMSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)CC[N@@H+]1C ZINC000927018155 648684593 /nfs/dbraw/zinc/68/45/93/648684593.db2.gz OHFAXZMCYQIVRG-QLFBSQMISA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCOC1 ZINC000927036822 648689511 /nfs/dbraw/zinc/68/95/11/648689511.db2.gz GSKDGAAYWNQTLG-XNIRIUNOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCO1 ZINC000927037203 648689531 /nfs/dbraw/zinc/68/95/31/648689531.db2.gz LXRLQVVNECEPJL-JWMHWRSXSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCOC1 ZINC000927040251 648690382 /nfs/dbraw/zinc/69/03/82/648690382.db2.gz ZQDBYFNEJGZHPX-ORBLRFAASA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000927160459 648731927 /nfs/dbraw/zinc/73/19/27/648731927.db2.gz LGOUYKJJDXNUPR-HNNXBMFYSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000927767742 648829303 /nfs/dbraw/zinc/82/93/03/648829303.db2.gz JBXRESJLOUAPRE-MRXNPFEDSA-N 2 0 289.423 2.607 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C/C(C)=C/C(=O)OC)CC1 ZINC000929298757 649027778 /nfs/dbraw/zinc/02/77/78/649027778.db2.gz YOTWGWDEPBKTHU-NTCAYCPXSA-N 2 0 296.455 2.550 20 0 CFADRP C[NH+](C)C1(CNC(=O)CC[NH2+]C(C)(C)C)CCCCCC1 ZINC000929389504 649043123 /nfs/dbraw/zinc/04/31/23/649043123.db2.gz UOUZBQVFWLIRGJ-UHFFFAOYSA-N 2 0 297.487 2.535 20 0 CFADRP c1cncc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000929689913 649097869 /nfs/dbraw/zinc/09/78/69/649097869.db2.gz JABZOWVGRUXVIU-GOSISDBHSA-N 2 0 287.451 2.965 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000929721292 649106056 /nfs/dbraw/zinc/10/60/56/649106056.db2.gz QAPOGMFHBFUMLK-HZMVEIRTSA-N 2 0 282.472 2.996 20 0 CFADRP CC[C@H](CO)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000929842734 649136433 /nfs/dbraw/zinc/13/64/33/649136433.db2.gz UTSHBVXMYJJOFY-NVXWUHKLSA-N 2 0 282.472 2.734 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccncc3)CC[C@@H]21 ZINC000929842842 649136576 /nfs/dbraw/zinc/13/65/76/649136576.db2.gz DIWAKBNEINKKOQ-ZBFHGGJFSA-N 2 0 291.464 2.590 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccncc3)CC[C@H]21 ZINC000929842839 649136925 /nfs/dbraw/zinc/13/69/25/649136925.db2.gz DIWAKBNEINKKOQ-GDBMZVCRSA-N 2 0 291.464 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2cccnc2)[C@@H](C)C1 ZINC000929998476 649162604 /nfs/dbraw/zinc/16/26/04/649162604.db2.gz FGQNVBBULWKKAH-RDJZCZTQSA-N 2 0 275.440 2.676 20 0 CFADRP C(CC1CC[NH+](CCOC2CC2)CC1)C[NH+]1CCCC1 ZINC000930077672 649179588 /nfs/dbraw/zinc/17/95/88/649179588.db2.gz DWQYCWOJOBRCOF-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP COC[C@@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000930143915 649192570 /nfs/dbraw/zinc/19/25/70/649192570.db2.gz BWLRPIKFGUMPEJ-QGZVFWFLSA-N 2 0 284.488 2.959 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000930804807 649327576 /nfs/dbraw/zinc/32/75/76/649327576.db2.gz BBIADFFBGCSQTB-UHFFFAOYSA-N 2 0 296.418 2.806 20 0 CFADRP CCCC[N@H+](C[C@@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034441 649367996 /nfs/dbraw/zinc/36/79/96/649367996.db2.gz SSZGKGKBEJJOAF-CYBMUJFWSA-N 2 0 270.461 2.779 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000931429391 649424669 /nfs/dbraw/zinc/42/46/69/649424669.db2.gz GVBKINJECKJCNA-CVEARBPZSA-N 2 0 297.402 2.725 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3nc4ccccc4s3)C[C@@H]2C1 ZINC000931433216 649425522 /nfs/dbraw/zinc/42/55/22/649425522.db2.gz TUDWNSMHYNGCSE-OLZOCXBDSA-N 2 0 287.432 2.680 20 0 CFADRP Cc1ccc(CCC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC000931436193 649426840 /nfs/dbraw/zinc/42/68/40/649426840.db2.gz KGBBHJZYHFWTNC-MSOLQXFVSA-N 2 0 272.436 2.811 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4ncccc4c3)C[C@@H]2C1 ZINC000931437645 649427244 /nfs/dbraw/zinc/42/72/44/649427244.db2.gz UBSFERLHIAPNAG-SJORKVTESA-N 2 0 281.403 2.618 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931441911 649428882 /nfs/dbraw/zinc/42/88/82/649428882.db2.gz QNJONRYIVZOVDS-HYVNUMGLSA-N 2 0 288.435 2.682 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931467995 649435803 /nfs/dbraw/zinc/43/58/03/649435803.db2.gz QSDFKSFBNODJCG-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480107 649438746 /nfs/dbraw/zinc/43/87/46/649438746.db2.gz LXRSDNDEIRDEGN-OAHLLOKOSA-N 2 0 270.461 2.591 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](CCCC2CCCCC2)CC1 ZINC000931479384 649438973 /nfs/dbraw/zinc/43/89/73/649438973.db2.gz PLEVBWMWYZEPSI-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP Nc1cc[nH+]c2c1CN(Cc1ccc3c(c1)CCC3)CC2 ZINC000931512757 649444782 /nfs/dbraw/zinc/44/47/82/649444782.db2.gz MGOJYQQOTIGPRS-UHFFFAOYSA-N 2 0 279.387 2.711 20 0 CFADRP Nc1ccnc2c1C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000931518389 649446430 /nfs/dbraw/zinc/44/64/30/649446430.db2.gz PRENCZLIZKKLNB-ZDUSSCGKSA-N 2 0 257.381 2.911 20 0 CFADRP COC[C@@H](C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C(C)C ZINC000931684082 649471646 /nfs/dbraw/zinc/47/16/46/649471646.db2.gz NSBGPWIDSFUWFD-HZPDHXFCSA-N 2 0 291.439 2.511 20 0 CFADRP COc1cccc(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1C ZINC000931717793 649478051 /nfs/dbraw/zinc/47/80/51/649478051.db2.gz CRMXOKIWZLCBIO-CVEARBPZSA-N 2 0 274.408 2.672 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000932275211 649573378 /nfs/dbraw/zinc/57/33/78/649573378.db2.gz NLQBBLFUSWOCIO-BPQIPLTHSA-N 2 0 290.451 2.567 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933081862 649671241 /nfs/dbraw/zinc/67/12/41/649671241.db2.gz RHBYTFXAUPKMQK-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCSC[C@@H]1C1CC1 ZINC000933913319 649731265 /nfs/dbraw/zinc/73/12/65/649731265.db2.gz BBOOABKFOYZKDS-HUUCEWRRSA-N 2 0 268.470 2.688 20 0 CFADRP c1csc(C[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000934332411 649775066 /nfs/dbraw/zinc/77/50/66/649775066.db2.gz KJQGIISWUXKHJA-HNNXBMFYSA-N 2 0 293.480 2.884 20 0 CFADRP Cc1[nH+]c(N(C)CC2CC[NH+](C)CC2)cc2[nH]ccc21 ZINC001165043128 721935872 /nfs/dbraw/zinc/93/58/72/721935872.db2.gz NUHAZXXQDNZFAJ-UHFFFAOYSA-N 2 0 272.396 2.649 20 0 CFADRP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H](CF)C2)CCCC1 ZINC001208190539 769895973 /nfs/dbraw/zinc/89/59/73/769895973.db2.gz GCOIXCBMPHSDOB-AWEZNQCLSA-N 2 0 256.409 2.790 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](CC1(C)CCCCC1)CC2 ZINC001208904136 769961708 /nfs/dbraw/zinc/96/17/08/769961708.db2.gz YBJUCUFCPANEQU-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1[nH+]cc(Nc2cccc(C[NH+](C)C)c2F)n1C ZINC001216228782 770807151 /nfs/dbraw/zinc/80/71/51/770807151.db2.gz RAMCRGOJHKVLOM-UHFFFAOYSA-N 2 0 262.332 2.673 20 0 CFADRP CCCC[C@H](CC)C[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235947176 778621566 /nfs/dbraw/zinc/62/15/66/778621566.db2.gz XYHLDEXCFQGTGH-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP COCC[N@H+](CCC1CCCCC1)C1CC[NH2+]CC1 ZINC001235946702 778621896 /nfs/dbraw/zinc/62/18/96/778621896.db2.gz PUPPKDDVVCZLBO-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CCCCC1)CCn1cccn1 ZINC001235949392 778622971 /nfs/dbraw/zinc/62/29/71/778622971.db2.gz ILBAAOQZCFLYCF-UHFFFAOYSA-N 2 0 278.444 2.517 20 0 CFADRP C(C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001236371864 778795222 /nfs/dbraw/zinc/79/52/22/778795222.db2.gz NVQYBDOLMRFZCI-IAGOWNOFSA-N 3 0 293.499 2.620 20 0 CFADRP COC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235817719 778566893 /nfs/dbraw/zinc/56/68/93/778566893.db2.gz DMGMUVVZRKBUSS-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CCN1Cc1ccccc1 ZINC000396493367 769835896 /nfs/dbraw/zinc/83/58/96/769835896.db2.gz ROPAIBPYNHKKME-KRWDZBQOSA-N 2 0 289.467 2.712 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206760282 769840221 /nfs/dbraw/zinc/84/02/21/769840221.db2.gz CGNKKGGZTJHULG-GOEBONIOSA-N 2 0 276.424 2.687 20 0 CFADRP C[NH+](C)CC1(C[N@@H+]2CCC[C@H](CF)C2)CCCC1 ZINC001208190545 769896743 /nfs/dbraw/zinc/89/67/43/769896743.db2.gz GCOIXCBMPHSDOB-CQSZACIVSA-N 2 0 256.409 2.790 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(c3cccnc3)CC2)C1 ZINC001208614992 769913132 /nfs/dbraw/zinc/91/31/32/769913132.db2.gz GREGAPGTNLHGKP-HNNXBMFYSA-N 2 0 273.424 2.603 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209421838 770072495 /nfs/dbraw/zinc/07/24/95/770072495.db2.gz TYKJMSYDLOAKSX-PMPSAXMXSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209422008 770074855 /nfs/dbraw/zinc/07/48/55/770074855.db2.gz RKTLGASUOTWFRG-FXUDXRNXSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@@H]1C[C@H]1C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209425161 770078036 /nfs/dbraw/zinc/07/80/36/770078036.db2.gz CZJHCNAOBBSMPK-KGLIPLIRSA-N 2 0 250.430 2.981 20 0 CFADRP Cc1ccnc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001206855381 770097184 /nfs/dbraw/zinc/09/71/84/770097184.db2.gz VMSVDWGMJBTSQP-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP c1cc2c(cc1C[NH+]1CCC3(CC3)CC1)C[NH2+]CC2 ZINC000706362870 770311088 /nfs/dbraw/zinc/31/10/88/770311088.db2.gz ISXGIAGXXSUANK-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723621902 770621444 /nfs/dbraw/zinc/62/14/44/770621444.db2.gz UNGOJMGZBLAKRI-BFYDXBDKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000723638636 770632747 /nfs/dbraw/zinc/63/27/47/770632747.db2.gz XWTODESKCWNESG-JKJDWNRSSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000723685576 770649665 /nfs/dbraw/zinc/64/96/65/770649665.db2.gz JMTMFIAEDXPNMS-ZDUSSCGKSA-N 2 0 271.364 2.512 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000723685326 770649731 /nfs/dbraw/zinc/64/97/31/770649731.db2.gz GOHRNLVVYJUEPT-CYBMUJFWSA-N 2 0 271.364 2.512 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1CC[NH3+] ZINC000723889313 770706552 /nfs/dbraw/zinc/70/65/52/770706552.db2.gz WZOTVNJUEIEBAT-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1CC[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000399178824 770720645 /nfs/dbraw/zinc/72/06/45/770720645.db2.gz KTDCCMYZNQQBKY-NJAFHUGGSA-N 2 0 287.451 2.554 20 0 CFADRP C(C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000723964980 770722772 /nfs/dbraw/zinc/72/27/72/770722772.db2.gz MOYCPZSFZRXEIX-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]([NH2+][C@H](C1CC1)C1CCCC1)C1CC[NH2+]CC1 ZINC000723963545 770722909 /nfs/dbraw/zinc/72/29/09/770722909.db2.gz HTQIWDOSXCYTHB-LRDDRELGSA-N 2 0 250.430 2.933 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@]34C[C@H]3CCC4)CC2)cc[nH+]1 ZINC000693555565 770836422 /nfs/dbraw/zinc/83/64/22/770836422.db2.gz CABYDPGOOUUWHF-PBHICJAKSA-N 2 0 271.408 2.830 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001207275087 770864729 /nfs/dbraw/zinc/86/47/29/770864729.db2.gz JMAJKGLCAYWLQB-QGZVFWFLSA-N 2 0 289.467 2.563 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000690736599 770871023 /nfs/dbraw/zinc/87/10/23/770871023.db2.gz JGAAPDKNZSXCRK-SECBINFHSA-N 2 0 289.242 2.681 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001204598098 773205902 /nfs/dbraw/zinc/20/59/02/773205902.db2.gz GPRUFNYEIHKALS-AWEZNQCLSA-N 2 0 283.419 2.976 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(F)(C3CC3)CC2)CC[NH2+]1 ZINC000724841600 775146405 /nfs/dbraw/zinc/14/64/05/775146405.db2.gz UVRYFHKRASFBAI-OLZOCXBDSA-N 2 0 254.393 2.589 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000382289643 775148146 /nfs/dbraw/zinc/14/81/46/775148146.db2.gz PSEJKNUTMHRKTI-BCLQGDPASA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000405324787 775203885 /nfs/dbraw/zinc/20/38/85/775203885.db2.gz WLLKXJJISKWFIW-WCFLWFBJSA-N 2 0 250.411 2.977 20 0 CFADRP Cc1cccc(N2CCC3(CCC[N@@H+](C)C3)CC2)n1 ZINC001276981047 775219246 /nfs/dbraw/zinc/21/92/46/775219246.db2.gz OOTZPQQPGJPWFB-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP C(CCC1CC[NH2+]CC1)CO[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001217802118 775303089 /nfs/dbraw/zinc/30/30/89/775303089.db2.gz MDXQGGFWESOBRO-SJORKVTESA-N 2 0 280.456 2.705 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225332090 775415552 /nfs/dbraw/zinc/41/55/52/775415552.db2.gz HHXISKZLFCCRHF-QGZVFWFLSA-N 2 0 276.424 3.000 20 0 CFADRP CC(C)Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000708844414 775511524 /nfs/dbraw/zinc/51/15/24/775511524.db2.gz FAPVTYBXPIYCFT-WMLDXEAASA-N 2 0 260.425 2.912 20 0 CFADRP Fc1ccccc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207437194 775662656 /nfs/dbraw/zinc/66/26/56/775662656.db2.gz CYOVYWNPRDGFJI-MRXNPFEDSA-N 2 0 262.372 2.962 20 0 CFADRP CC[NH+](CC)C[C@H](C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226416007 775812273 /nfs/dbraw/zinc/81/22/73/775812273.db2.gz CBNPHMSTAXQJNE-LBPRGKRZSA-N 2 0 273.380 2.926 20 0 CFADRP CCCC[NH+](CCCC)CCNc1cccc(C[NH3+])n1 ZINC001167734532 775866935 /nfs/dbraw/zinc/86/69/35/775866935.db2.gz IMPLQNOFHFQSRW-UHFFFAOYSA-N 2 0 278.444 2.854 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H]1CCCOC1 ZINC001207471374 775892027 /nfs/dbraw/zinc/89/20/27/775892027.db2.gz IARBIXYAASSDAD-YESZJQIVSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[nH+]c(N)c1 ZINC001226657431 775907269 /nfs/dbraw/zinc/90/72/69/775907269.db2.gz PQTJOCLTFSSFJA-YOEHRIQHSA-N 2 0 297.402 2.953 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001207479807 775931710 /nfs/dbraw/zinc/93/17/10/775931710.db2.gz OPJQBGJPIJNCPD-OAHLLOKOSA-N 2 0 256.409 2.932 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001207483782 775994322 /nfs/dbraw/zinc/99/43/22/775994322.db2.gz HYMCZDRPKFRJAE-KRWDZBQOSA-N 2 0 273.424 2.603 20 0 CFADRP [NH3+]C[C@H]1CCCCN(Cc2cc(F)cc(F)c2)C1 ZINC000310899875 776022263 /nfs/dbraw/zinc/02/22/63/776022263.db2.gz OYYXTLYDJSNVKN-LLVKDONJSA-N 2 0 254.324 2.526 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000423292332 776368208 /nfs/dbraw/zinc/36/82/08/776368208.db2.gz MNQUXVGKQCBFDP-NHYWBVRUSA-N 2 0 270.380 2.597 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)c2ccccc21 ZINC000722327581 776473391 /nfs/dbraw/zinc/47/33/91/776473391.db2.gz CJDJXOQRLOCHEF-VDNDLQMASA-N 2 0 272.392 2.678 20 0 CFADRP COc1ccc(CCC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001207577539 776533048 /nfs/dbraw/zinc/53/30/48/776533048.db2.gz NQQBXPSKNIPPLL-SJORKVTESA-N 2 0 288.435 2.511 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001167827245 776549640 /nfs/dbraw/zinc/54/96/40/776549640.db2.gz VEIAQRVEFVENES-IAGOWNOFSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CC(Oc2cccnc2)C1 ZINC001167828067 776554998 /nfs/dbraw/zinc/55/49/98/776554998.db2.gz ZNVHNULKODBGRJ-HNNXBMFYSA-N 2 0 291.439 2.655 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC001167827896 776555364 /nfs/dbraw/zinc/55/53/64/776555364.db2.gz ZDPKJKWONUTUJL-IRXDYDNUSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001167834173 776573621 /nfs/dbraw/zinc/57/36/21/776573621.db2.gz IOJGYXCIQQQTHF-CVEARBPZSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001167838147 776588761 /nfs/dbraw/zinc/58/87/61/776588761.db2.gz QQAZLMIQDPSFOS-SIRPWMCASA-N 2 0 280.456 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOC[C@@H]1C(C)C ZINC001167838221 776589546 /nfs/dbraw/zinc/58/95/46/776589546.db2.gz SBDCFSHPNZGKMQ-HZPDHXFCSA-N 2 0 270.461 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC001167838720 776590868 /nfs/dbraw/zinc/59/08/68/776590868.db2.gz WIUZYNWPXPHGMH-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC001167839480 776590892 /nfs/dbraw/zinc/59/08/92/776590892.db2.gz YAXCXGNHPJJGQN-HOTGVXAUSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(CSC2)C1 ZINC001167840692 776601337 /nfs/dbraw/zinc/60/13/37/776601337.db2.gz HQDVRLJYWLIJBY-CYBMUJFWSA-N 2 0 256.459 2.546 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@H](C(=O)OC)C(C)C ZINC001167840956 776602826 /nfs/dbraw/zinc/60/28/26/776602826.db2.gz IQXVGFSJWVFVQK-GJZGRUSLSA-N 2 0 286.460 2.626 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(OC(C)C)C1 ZINC001167841798 776608160 /nfs/dbraw/zinc/60/81/60/776608160.db2.gz RDGPEEZCFPDSBQ-CQSZACIVSA-N 2 0 256.434 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001167842838 776614698 /nfs/dbraw/zinc/61/46/98/776614698.db2.gz ZDPMOMIWXUMQJW-RDJZCZTQSA-N 2 0 296.455 2.669 20 0 CFADRP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc4n3CCC4)CC2)C1 ZINC001277330940 776620283 /nfs/dbraw/zinc/62/02/83/776620283.db2.gz ZYZIKGIRYWXGON-UHFFFAOYSA-N 2 0 287.451 2.742 20 0 CFADRP C[N@H+](CCCC1CCCCC1)CCN1CC[NH+](C)CC1 ZINC001207608730 776655780 /nfs/dbraw/zinc/65/57/80/776655780.db2.gz FLADIVYUTNXGKA-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP COc1c(F)cccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001143532256 776814998 /nfs/dbraw/zinc/81/49/98/776814998.db2.gz FEGQPVIBVUXCCT-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP CCN(CC)c1ccc(C)c(NC(=[NH2+])SCC[NH3+])c1 ZINC001167914921 776842872 /nfs/dbraw/zinc/84/28/72/776842872.db2.gz BLTXCMIWYVSVLP-UHFFFAOYSA-N 2 0 280.441 2.880 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000453228675 776854378 /nfs/dbraw/zinc/85/43/78/776854378.db2.gz UTBBCEDBBDRHOU-SSHXOBKSSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@H](C[NH+](C)C)Oc1cccc([C@H](C)[NH+](C)C)c1 ZINC001229628433 776860710 /nfs/dbraw/zinc/86/07/10/776860710.db2.gz UUDFPRJACURCLC-OLZOCXBDSA-N 2 0 250.386 2.638 20 0 CFADRP COc1ccc2c(cc[nH+]c2N2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC000300422966 776904552 /nfs/dbraw/zinc/90/45/52/776904552.db2.gz MXSQDTHMFWYXCT-CHWSQXEVSA-N 2 0 285.391 2.807 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709971978 776949416 /nfs/dbraw/zinc/94/94/16/776949416.db2.gz QLNIVPXFDLCZSS-WMLDXEAASA-N 2 0 276.399 2.832 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)s1 ZINC001231499991 777242686 /nfs/dbraw/zinc/24/26/86/777242686.db2.gz OQGLKNSJDQRCMX-OLZOCXBDSA-N 2 0 264.438 2.694 20 0 CFADRP CC(C)Oc1ccc(CN(C)CCC[NH+]2CCCC2)cn1 ZINC001231533455 777256408 /nfs/dbraw/zinc/25/64/08/777256408.db2.gz OERLCWMHUPMPDB-UHFFFAOYSA-N 2 0 291.439 2.787 20 0 CFADRP Cc1ccnc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958107 777272841 /nfs/dbraw/zinc/27/28/41/777272841.db2.gz CALCFBQSMQUEOE-ZNXRZULTSA-N 2 0 285.435 2.885 20 0 CFADRP CCCC[N@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167961664 777323305 /nfs/dbraw/zinc/32/33/05/777323305.db2.gz MPVKKINGENGMGS-AYHJJNSGSA-N 2 0 293.499 2.713 20 0 CFADRP CSc1ccccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001231785776 777334621 /nfs/dbraw/zinc/33/46/21/777334621.db2.gz DXRSUEUVQBJNLI-UHFFFAOYSA-N 2 0 276.449 2.936 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168406845 777357592 /nfs/dbraw/zinc/35/75/92/777357592.db2.gz JZJTXFATOCYKNL-IRXDYDNUSA-N 2 0 276.399 2.757 20 0 CFADRP CC(C)c1ccccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001231877246 777361022 /nfs/dbraw/zinc/36/10/22/777361022.db2.gz YMXKFKXMESGTJC-UHFFFAOYSA-N 2 0 291.483 2.735 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC3(C2)OCCO3)CC1 ZINC000712826011 777390503 /nfs/dbraw/zinc/39/05/03/777390503.db2.gz WPFCGEKLXJBLKU-OAHLLOKOSA-N 2 0 296.455 2.525 20 0 CFADRP CCCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965678 777405998 /nfs/dbraw/zinc/40/59/98/777405998.db2.gz KLMQHZCPSJHYLT-MGNMYUMUSA-N 2 0 280.456 2.533 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232012096 777411292 /nfs/dbraw/zinc/41/12/92/777411292.db2.gz SEXDMYDNOWIOQF-WBMJQRKESA-N 2 0 271.364 2.564 20 0 CFADRP c1c(C[N@H+]2CC[C@H](COCC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232015103 777412282 /nfs/dbraw/zinc/41/22/82/777412282.db2.gz AYBALQZSCFBRCY-AWEZNQCLSA-N 2 0 285.391 2.811 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1CN1CC[NH+](C2CCCC2)CC1 ZINC001232014673 777412935 /nfs/dbraw/zinc/41/29/35/777412935.db2.gz LOBMWOOKFLUXQP-UHFFFAOYSA-N 2 0 284.407 2.623 20 0 CFADRP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@@H]1Cc2ccccc2O1 ZINC001232016274 777413996 /nfs/dbraw/zinc/41/39/96/777413996.db2.gz LBSUMTSBZVIKOF-INIZCTEOSA-N 2 0 293.370 2.998 20 0 CFADRP Cc1ccnn1C1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232017114 777414517 /nfs/dbraw/zinc/41/45/17/777414517.db2.gz LLZXQLQPPLGQRP-UHFFFAOYSA-N 2 0 295.390 2.905 20 0 CFADRP C[NH+](C)CCC(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967555 777426008 /nfs/dbraw/zinc/42/60/08/777426008.db2.gz HANFRUYRKVQHGV-ALOPSCKCSA-N 2 0 293.499 2.712 20 0 CFADRP Fc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167973465 777439581 /nfs/dbraw/zinc/43/95/81/777439581.db2.gz LJBWXCSQIYQURY-MQVJKMGUSA-N 2 0 289.398 2.716 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145430 777450826 /nfs/dbraw/zinc/45/08/26/777450826.db2.gz SEWIPJSZUBOHRQ-GFCCVEGCSA-N 2 0 250.361 2.872 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC001232148151 777451708 /nfs/dbraw/zinc/45/17/08/777451708.db2.gz WZGXEWKMALMGSC-QGZVFWFLSA-N 2 0 294.414 2.888 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001232149897 777453658 /nfs/dbraw/zinc/45/36/58/777453658.db2.gz PJDRGDKQXGBHBD-PHZGNYQRSA-N 2 0 280.362 2.535 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccnc(C(C)(C)C)c1)CC2 ZINC001232220162 777479951 /nfs/dbraw/zinc/47/99/51/777479951.db2.gz FLDOASZMYNFHIP-UHFFFAOYSA-N 2 0 287.451 2.907 20 0 CFADRP CCOc1ncc(C[N@H+](CC)CCn2ccnc2)cc1C ZINC001232312536 777517631 /nfs/dbraw/zinc/51/76/31/777517631.db2.gz VJQPAYWTVNUBOA-UHFFFAOYSA-N 2 0 288.395 2.507 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@]13CCOC3)C2 ZINC001167994958 777527168 /nfs/dbraw/zinc/52/71/68/777527168.db2.gz ROHUHGBIZHVLNM-UJJTZGENSA-N 2 0 290.451 2.647 20 0 CFADRP CCOC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995806 777531580 /nfs/dbraw/zinc/53/15/80/777531580.db2.gz QLALZSINEDLOPU-SJPCQFCGSA-N 2 0 292.467 2.893 20 0 CFADRP Cc1cc(C)[nH+]c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000721839569 777546047 /nfs/dbraw/zinc/54/60/47/777546047.db2.gz KHMBTOQAEHKMQS-OAHLLOKOSA-N 2 0 259.397 2.667 20 0 CFADRP Cc1cc(F)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001143585836 777556385 /nfs/dbraw/zinc/55/63/85/777556385.db2.gz HWOBSNGVCABNHY-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP Cc1cc(F)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC001143586355 777568052 /nfs/dbraw/zinc/56/80/52/777568052.db2.gz YLCREMZSBFDABW-CABCVRRESA-N 2 0 262.372 2.518 20 0 CFADRP Cc1cccc(F)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001232484666 777579102 /nfs/dbraw/zinc/57/91/02/777579102.db2.gz JMZYDINNIIECQM-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CO[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001168006743 777581662 /nfs/dbraw/zinc/58/16/62/777581662.db2.gz OPDOSMCIZULMPB-UXRNWYHQSA-N 2 0 292.467 2.891 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@H]2C1 ZINC001232987403 777753077 /nfs/dbraw/zinc/75/30/77/777753077.db2.gz VZOZNADBIVOZEK-QZTJIDSGSA-N 2 0 270.420 2.948 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC001205009543 777794771 /nfs/dbraw/zinc/79/47/71/777794771.db2.gz WKGWLVOAHJAXHN-OAHLLOKOSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001168075911 777947458 /nfs/dbraw/zinc/94/74/58/777947458.db2.gz RVBBIZTXYREPTG-OIISXLGYSA-N 2 0 276.424 2.837 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@](C)([NH3+])C3)cc21 ZINC001204801069 777988888 /nfs/dbraw/zinc/98/88/88/777988888.db2.gz JAXGFBMESHPKRR-SFHVURJKSA-N 2 0 285.435 2.611 20 0 CFADRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168093108 778025073 /nfs/dbraw/zinc/02/50/73/778025073.db2.gz LTEFCVVWZMHNFO-UKRRQHHQSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094031 778029525 /nfs/dbraw/zinc/02/95/25/778029525.db2.gz RFOQPQNFDAUUFC-SDADXPQNSA-N 2 0 266.429 2.678 20 0 CFADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1CCO[C@H](C)C1 ZINC001168094766 778032224 /nfs/dbraw/zinc/03/22/24/778032224.db2.gz ZITHNOZSQWSMMZ-INMHGKMJSA-N 2 0 276.424 2.651 20 0 CFADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168101432 778043103 /nfs/dbraw/zinc/04/31/03/778043103.db2.gz LNUOVYIPURENBL-VGWMRTNUSA-N 2 0 268.445 2.782 20 0 CFADRP CC[C@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001277808591 778082575 /nfs/dbraw/zinc/08/25/75/778082575.db2.gz ZQQGWNFTMUSAGF-IMJJTQAJSA-N 2 0 276.428 2.733 20 0 CFADRP CCC(=O)C[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277851626 778215409 /nfs/dbraw/zinc/21/54/09/778215409.db2.gz JWVMAEPTIYCUFO-GASCZTMLSA-N 2 0 278.440 2.552 20 0 CFADRP CC[NH+](CC)C[C@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234420225 778221724 /nfs/dbraw/zinc/22/17/24/778221724.db2.gz NXNVWRUCACRANO-AWEZNQCLSA-N 2 0 276.424 2.784 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000721251117 778292658 /nfs/dbraw/zinc/29/26/58/778292658.db2.gz APRYWENXMPCOHS-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP CC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277889689 778296769 /nfs/dbraw/zinc/29/67/69/778296769.db2.gz QOAPLHKFKMUUBX-BMFZPTHFSA-N 2 0 278.440 2.550 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000721253350 778347248 /nfs/dbraw/zinc/34/72/48/778347248.db2.gz HDZDREIRDDFVQQ-NIOBXDJOSA-N 2 0 266.429 2.549 20 0 CFADRP CCOc1ccc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234997753 778347806 /nfs/dbraw/zinc/34/78/06/778347806.db2.gz KYEKDTPVHUBRCR-GOSISDBHSA-N 2 0 288.435 2.969 20 0 CFADRP CCOc1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)ccc1F ZINC001234998277 778348454 /nfs/dbraw/zinc/34/84/54/778348454.db2.gz HGAIGRRDCSWQLT-KRWDZBQOSA-N 2 0 292.398 2.800 20 0 CFADRP COC(=O)CCCCCCCCCN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235004528 778350428 /nfs/dbraw/zinc/35/04/28/778350428.db2.gz ATWVIPARKZNMDJ-JKSUJKDBSA-N 2 0 296.455 2.574 20 0 CFADRP c1ccc(C2(C[N@@H+]3CCC4(C[NH2+]C4)C3)CCCC2)cc1 ZINC001235023407 778358326 /nfs/dbraw/zinc/35/83/26/778358326.db2.gz AIDYOFHFEJBSQQ-UHFFFAOYSA-N 2 0 270.420 2.794 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235033527 778359928 /nfs/dbraw/zinc/35/99/28/778359928.db2.gz XSVWLZRROPSMOC-HNNXBMFYSA-N 2 0 298.352 2.933 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2cccccc1-2 ZINC001235033685 778361130 /nfs/dbraw/zinc/36/11/30/778361130.db2.gz QWWAJXXMYZDXTB-GOSISDBHSA-N 2 0 266.388 2.977 20 0 CFADRP CCSCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277914522 778364653 /nfs/dbraw/zinc/36/46/53/778364653.db2.gz VXYHBBXYHRMHOT-AWEZNQCLSA-N 2 0 256.459 2.547 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C1CC1)CC2 ZINC001277921459 778374935 /nfs/dbraw/zinc/37/49/35/778374935.db2.gz DSKRURYBNOYXNJ-UHFFFAOYSA-N 2 0 291.464 2.902 20 0 CFADRP CC[N@H+](CCCC[NH3+])[C@H](C)Cc1ccc(OC)cc1 ZINC001204869494 778375521 /nfs/dbraw/zinc/37/55/21/778375521.db2.gz AEJSHVNMAMBGRG-CQSZACIVSA-N 2 0 264.413 2.687 20 0 CFADRP CCOc1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc1CC ZINC001235088442 778375874 /nfs/dbraw/zinc/37/58/74/778375874.db2.gz GTRPIDNYSYEVPK-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP c1cc(C[NH+]2CC3(C2)CC[NH2+]CC3)c2c(c1)CCCC2 ZINC001235089818 778377639 /nfs/dbraw/zinc/37/76/39/778377639.db2.gz TXXRAIIROOVFFD-UHFFFAOYSA-N 2 0 270.420 2.751 20 0 CFADRP c1ccc2c(c1)C[NH2+]CC21CC[NH+](CC2CCC2)CC1 ZINC001235093691 778378652 /nfs/dbraw/zinc/37/86/52/778378652.db2.gz NLVGHKPCYILQBQ-UHFFFAOYSA-N 2 0 270.420 2.924 20 0 CFADRP c1cc2c(cc1C[NH+]1CCC3(CC[NH2+]C3)CC1)NCCC2 ZINC001235106857 778382440 /nfs/dbraw/zinc/38/24/40/778382440.db2.gz RZSJUPWWYAVKNR-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP CCCc1ccc(CN2CCC[C@@]3(C[NH2+]CCO3)C2)s1 ZINC001235113903 778386600 /nfs/dbraw/zinc/38/66/00/778386600.db2.gz HSXQNCIWLNODDE-MRXNPFEDSA-N 2 0 294.464 2.655 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCCC[C@]12CC[NH2+]C2 ZINC001235123539 778392072 /nfs/dbraw/zinc/39/20/72/778392072.db2.gz KJGVZKLNYHLKBH-QGZVFWFLSA-N 2 0 279.472 2.517 20 0 CFADRP c1ccc2c(c1)NCC21CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235140479 778395265 /nfs/dbraw/zinc/39/52/65/778395265.db2.gz OUIDBTVPFJOCQP-INIZCTEOSA-N 2 0 299.462 2.978 20 0 CFADRP c1ccc2c(c1)NCC21CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001235139011 778395685 /nfs/dbraw/zinc/39/56/85/778395685.db2.gz GUSYPAKTCLRGOR-INIZCTEOSA-N 2 0 299.462 2.835 20 0 CFADRP N[C@H](C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC001235151934 778398455 /nfs/dbraw/zinc/39/84/55/778398455.db2.gz KADMOTHDQQFZMP-QZTJIDSGSA-N 2 0 287.451 2.541 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccn1 ZINC001168298348 778411952 /nfs/dbraw/zinc/41/19/52/778411952.db2.gz OBUAWDOXVHFTLN-YMAMQOFZSA-N 2 0 261.413 2.995 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(c3cccc(F)c3)COC2)CC1 ZINC001168298478 778412382 /nfs/dbraw/zinc/41/23/82/778412382.db2.gz WMBSVAUXLFGOHK-UHFFFAOYSA-N 2 0 292.398 2.514 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC001235211581 778416576 /nfs/dbraw/zinc/41/65/76/778416576.db2.gz YCJVMJDNWVYADF-FVQHAEBGSA-N 2 0 252.361 2.537 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3ocnc3c2)CC1 ZINC001168303717 778417347 /nfs/dbraw/zinc/41/73/47/778417347.db2.gz AMBQDCIVJFOQIX-UHFFFAOYSA-N 2 0 273.380 2.790 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3ccc(O)cc3C2)CC1 ZINC001168304264 778418715 /nfs/dbraw/zinc/41/87/15/778418715.db2.gz RHZUBBFBDOIGHP-CGZBRXJRSA-N 2 0 288.435 2.712 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC001235223384 778420522 /nfs/dbraw/zinc/42/05/22/778420522.db2.gz DPGSZDYZURNSSI-GDBMZVCRSA-N 2 0 256.393 2.912 20 0 CFADRP COc1ncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235228451 778421585 /nfs/dbraw/zinc/42/15/85/778421585.db2.gz MTPUEWDLNYZTDV-CQSZACIVSA-N 2 0 295.452 2.506 20 0 CFADRP Cc1ncccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230064 778422492 /nfs/dbraw/zinc/42/24/92/778422492.db2.gz NGYZKECHSLQTNQ-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP Fc1cccnc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235229405 778423145 /nfs/dbraw/zinc/42/31/45/778423145.db2.gz LYAOMUWCINZBIF-OAHLLOKOSA-N 2 0 277.387 2.575 20 0 CFADRP c1cc2c(nccc2C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235229651 778423152 /nfs/dbraw/zinc/42/31/52/778423152.db2.gz RZWXKSAYZPFEKW-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP c1nc2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)ccc2[nH]1 ZINC001235232717 778423703 /nfs/dbraw/zinc/42/37/03/778423703.db2.gz ZTFZMCQPUGEUSH-MRXNPFEDSA-N 2 0 298.434 2.917 20 0 CFADRP CC1(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CCOCC1 ZINC001235233377 778423788 /nfs/dbraw/zinc/42/37/88/778423788.db2.gz PHNHXEREKDAIAG-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(Cc3ccc(O)cc3)CC2)CC1 ZINC001168312375 778424369 /nfs/dbraw/zinc/42/43/69/778424369.db2.gz SVBISQYLUGVUSP-UHFFFAOYSA-N 2 0 288.435 2.930 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001168314033 778424398 /nfs/dbraw/zinc/42/43/98/778424398.db2.gz IMEJNYLHKXEBHG-UYSNPLJNSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C)Cc2cccc(O)c2)CC1 ZINC001168314520 778425333 /nfs/dbraw/zinc/42/53/33/778425333.db2.gz MHRVDCZRKDGJJL-UHFFFAOYSA-N 2 0 262.397 2.697 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cnc1F ZINC001235237791 778427039 /nfs/dbraw/zinc/42/70/39/778427039.db2.gz CJYIVTRQWBICLU-INIZCTEOSA-N 2 0 291.414 2.883 20 0 CFADRP Cc1ccc(NC2C[NH+](C(C)C)C2)c(C[NH+](C)C)c1 ZINC001168317264 778427672 /nfs/dbraw/zinc/42/76/72/778427672.db2.gz IANWDJQERJLBGI-UHFFFAOYSA-N 2 0 261.413 2.561 20 0 CFADRP Cc1ccc2[nH]c(CN3C[C@H]4CCC[C@@]4([NH3+])C3)cc2c1 ZINC001235241030 778428281 /nfs/dbraw/zinc/42/82/81/778428281.db2.gz PSCLNNRCWDNYFS-RHSMWYFYSA-N 2 0 269.392 2.790 20 0 CFADRP Cc1scnc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243278 778429256 /nfs/dbraw/zinc/42/92/56/778429256.db2.gz WRNQNNOMDCVPQO-AWEZNQCLSA-N 2 0 279.453 2.806 20 0 CFADRP COCCC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168323026 778431153 /nfs/dbraw/zinc/43/11/53/778431153.db2.gz NJWQUVMKTPQYRW-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235254398 778434797 /nfs/dbraw/zinc/43/47/97/778434797.db2.gz IKMWKAKTDKYXRX-BPUTZDHNSA-N 2 0 258.409 2.906 20 0 CFADRP COC(=O)CCCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168351189 778446265 /nfs/dbraw/zinc/44/62/65/778446265.db2.gz KSNAUGJMSGFJIS-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@H](C2C[NH2+]C2)C1)CC(C)(C)C ZINC001235336792 778457846 /nfs/dbraw/zinc/45/78/46/778457846.db2.gz BBDGILUPGQZWBM-KGLIPLIRSA-N 2 0 252.446 2.990 20 0 CFADRP CCOc1cc(C)ccc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235337890 778459473 /nfs/dbraw/zinc/45/94/73/778459473.db2.gz KNJQPFMCGXHYCE-UHFFFAOYSA-N 2 0 288.435 2.825 20 0 CFADRP CN(CCc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001235342024 778460511 /nfs/dbraw/zinc/46/05/11/778460511.db2.gz GKVRJHOZBFHAHQ-ZDUSSCGKSA-N 2 0 270.779 2.705 20 0 CFADRP CC(C)C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235364297 778469686 /nfs/dbraw/zinc/46/96/86/778469686.db2.gz XJYJYDDMTGFSKT-ROUUACIJSA-N 2 0 272.436 2.896 20 0 CFADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235366671 778470731 /nfs/dbraw/zinc/47/07/31/778470731.db2.gz FPNHVASTKAACJN-BRSBDYLESA-N 2 0 292.467 2.822 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235368758 778471097 /nfs/dbraw/zinc/47/10/97/778471097.db2.gz OAMPMNCHHNZCMS-KZNAEPCWSA-N 2 0 292.467 2.800 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](OCC)C2)CC1 ZINC000721255866 778475421 /nfs/dbraw/zinc/47/54/21/778475421.db2.gz SVHBHVYZBSXJLH-HOTGVXAUSA-N 2 0 268.445 2.798 20 0 CFADRP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235400554 778475884 /nfs/dbraw/zinc/47/58/84/778475884.db2.gz KJBUMYAKKWLKCA-ROUUACIJSA-N 2 0 288.410 2.699 20 0 CFADRP Nc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430286 778486444 /nfs/dbraw/zinc/48/64/44/778486444.db2.gz WNYQBVUBPKOTSK-CABCVRRESA-N 2 0 291.414 2.620 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424822 778487040 /nfs/dbraw/zinc/48/70/40/778487040.db2.gz JXZZILOCIJWFJZ-YYWYGQEZSA-N 2 0 274.452 2.910 20 0 CFADRP Oc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432406 778488587 /nfs/dbraw/zinc/48/85/87/778488587.db2.gz XLWKEWKPCHEDMF-KBPBESRZSA-N 2 0 292.398 2.743 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697877381 778491511 /nfs/dbraw/zinc/49/15/11/778491511.db2.gz HTMLUUVFGMSTBA-OLZOCXBDSA-N 2 0 252.377 2.687 20 0 CFADRP CC[C@H](C)[N@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235453265 778495399 /nfs/dbraw/zinc/49/53/99/778495399.db2.gz IUHFJVPXLDVYFP-ZDUSSCGKSA-N 2 0 271.408 2.975 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001235529798 778512849 /nfs/dbraw/zinc/51/28/49/778512849.db2.gz BVYQMVHRKXDSFF-ROUUACIJSA-N 2 0 288.435 2.764 20 0 CFADRP Cc1ncn(C)c1C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001235564014 778518451 /nfs/dbraw/zinc/51/84/51/778518451.db2.gz KFGJAHODBNBQIA-UHFFFAOYSA-N 2 0 290.455 2.567 20 0 CFADRP CCCC[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC001235664487 778530734 /nfs/dbraw/zinc/53/07/34/778530734.db2.gz UPEJGVWLNRSGFF-KRWDZBQOSA-N 2 0 276.424 2.667 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2-n2cccc2)CC1 ZINC001235679121 778534034 /nfs/dbraw/zinc/53/40/34/778534034.db2.gz LSXSSEUTKANDAS-UHFFFAOYSA-N 2 0 283.419 2.909 20 0 CFADRP Cc1ccc(O)cc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235701601 778541644 /nfs/dbraw/zinc/54/16/44/778541644.db2.gz DULIBBNGCCMHES-UHFFFAOYSA-N 2 0 288.435 2.912 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235710851 778543490 /nfs/dbraw/zinc/54/34/90/778543490.db2.gz IKHNSJARAANEEC-UHFFFAOYSA-N 2 0 278.827 2.958 20 0 CFADRP Cn1c(C[N@H+](C)CCC2CC[NH2+]CC2)cc2ccccc21 ZINC001235716967 778545667 /nfs/dbraw/zinc/54/56/67/778545667.db2.gz PMJSBKDXNGJNSL-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001235748532 778552690 /nfs/dbraw/zinc/55/26/90/778552690.db2.gz BTMKDDCSJVVISH-SNVBAGLBSA-N 2 0 263.772 2.602 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)NCCC2)C1CC[NH2+]CC1 ZINC001235764836 778553552 /nfs/dbraw/zinc/55/35/52/778553552.db2.gz KQTKNOGCYIGILZ-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001235808387 778564444 /nfs/dbraw/zinc/56/44/44/778564444.db2.gz CILCIACUCDGWFG-AWEZNQCLSA-N 2 0 250.411 2.515 20 0 CFADRP CCCCc1nc(CN2CC[NH2+][C@H](c3ccccc3)C2)c[nH]1 ZINC001235853364 778579529 /nfs/dbraw/zinc/57/95/29/778579529.db2.gz LOFSUTAPJNXWOH-KRWDZBQOSA-N 2 0 298.434 2.899 20 0 CFADRP [NH3+]CCN(CC[NH3+])Cc1ccc(/C=C/c2ccccc2)cc1 ZINC001235877690 778587825 /nfs/dbraw/zinc/58/78/25/778587825.db2.gz PINJOIZBSBWNBA-VOTSOKGWSA-N 2 0 295.430 2.576 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1 ZINC001235884148 778590463 /nfs/dbraw/zinc/59/04/63/778590463.db2.gz WSGBSQKUVXTVLI-GOSISDBHSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC001235884110 778590540 /nfs/dbraw/zinc/59/05/40/778590540.db2.gz UXEYZWSSDLQXGK-QGZVFWFLSA-N 2 0 276.424 2.985 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235894174 778595230 /nfs/dbraw/zinc/59/52/30/778595230.db2.gz UUDVLCNYJBTHJL-HKUYNNGSSA-N 2 0 299.462 2.861 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)cc21 ZINC001235902496 778600303 /nfs/dbraw/zinc/60/03/03/778600303.db2.gz YACMXVQDJZIROZ-GASCZTMLSA-N 2 0 299.462 2.870 20 0 CFADRP CC(C)c1ccc(CC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235929130 778612753 /nfs/dbraw/zinc/61/27/53/778612753.db2.gz IPDSDOHJUVVBSA-QZTJIDSGSA-N 2 0 272.436 2.894 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929292 778613449 /nfs/dbraw/zinc/61/34/49/778613449.db2.gz KTIDNRFVSNQMBI-KGLIPLIRSA-N 2 0 298.352 2.789 20 0 CFADRP Clc1ccccc1CCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235931013 778613681 /nfs/dbraw/zinc/61/36/81/778613681.db2.gz ZXJZLLUSORDQKY-HUUCEWRRSA-N 2 0 278.827 2.814 20 0 CFADRP Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235934587 778615741 /nfs/dbraw/zinc/61/57/41/778615741.db2.gz BVBCQFOYLLNMQF-GXTWGEPZSA-N 2 0 264.800 2.690 20 0 CFADRP CC(C)(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235935875 778616276 /nfs/dbraw/zinc/61/62/76/778616276.db2.gz FLDRZIMIWYTGLD-JKSUJKDBSA-N 2 0 288.435 2.905 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1OC(C)C ZINC001235935884 778616495 /nfs/dbraw/zinc/61/64/95/778616495.db2.gz FLEWLSILDDYUTM-IAGOWNOFSA-N 2 0 288.435 2.824 20 0 CFADRP COc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235936285 778616534 /nfs/dbraw/zinc/61/65/34/778616534.db2.gz GISBFQNVXVHMHA-WMZOPIPTSA-N 2 0 296.414 2.890 20 0 CFADRP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235936281 778616720 /nfs/dbraw/zinc/61/67/20/778616720.db2.gz GISBFQNVXVHMHA-SJLPKXTDSA-N 2 0 296.414 2.890 20 0 CFADRP CC(C)(C)Oc1cccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235935864 778616735 /nfs/dbraw/zinc/61/67/35/778616735.db2.gz FLDRZIMIWYTGLD-CVEARBPZSA-N 2 0 288.435 2.905 20 0 CFADRP COc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235936279 778617001 /nfs/dbraw/zinc/61/70/01/778617001.db2.gz GISBFQNVXVHMHA-FUHWJXTLSA-N 2 0 296.414 2.890 20 0 CFADRP CCSc1ccccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235938081 778617928 /nfs/dbraw/zinc/61/79/28/778617928.db2.gz WHKASCORYXFKHU-HIFRSBDPSA-N 2 0 276.449 2.840 20 0 CFADRP CCc1ccc(C[N@H+](CCCOC)C2CC[NH2+]CC2)cc1 ZINC001235937491 778618442 /nfs/dbraw/zinc/61/84/42/778618442.db2.gz NMQWRZYZDCCGAF-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP COCC[N@H+](CC1(C)CCCCC1)C1CC[NH2+]CC1 ZINC001235946019 778620720 /nfs/dbraw/zinc/62/07/20/778620720.db2.gz IPEFSMDZCSFCTJ-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001235958294 778627295 /nfs/dbraw/zinc/62/72/95/778627295.db2.gz CTSNIMYVDJGFRL-DRXBFXEBSA-N 2 0 289.810 2.990 20 0 CFADRP CCc1cccc(C)c1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235958125 778627506 /nfs/dbraw/zinc/62/75/06/778627506.db2.gz WGPHTQCJLQBSOC-OAHLLOKOSA-N 2 0 260.425 2.989 20 0 CFADRP C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)C[C@H]1CC1(C)C ZINC001235959093 778627967 /nfs/dbraw/zinc/62/79/67/778627967.db2.gz SEDLQDRRDOQUTF-GFCCVEGCSA-N 2 0 264.438 2.872 20 0 CFADRP C[C@]1(c2ccc(Cl)cc2)C[N@H+](CCCC[NH3+])CCO1 ZINC001235968885 778632280 /nfs/dbraw/zinc/63/22/80/778632280.db2.gz LSPRZBWMRJXGNN-OAHLLOKOSA-N 2 0 282.815 2.626 20 0 CFADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCCCOCc1ccccc1)C2 ZINC001235978847 778637103 /nfs/dbraw/zinc/63/71/03/778637103.db2.gz KOOKUFXUHRZGSG-MSOLQXFVSA-N 2 0 288.435 2.797 20 0 CFADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCCCOCc1ccccc1)C2 ZINC001235978850 778637792 /nfs/dbraw/zinc/63/77/92/778637792.db2.gz KOOKUFXUHRZGSG-ZWKOTPCHSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1sc2ccccc2c1CN1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236031522 778660294 /nfs/dbraw/zinc/66/02/94/778660294.db2.gz TXXUYVGDPYWYCK-IAQYHMDHSA-N 2 0 258.390 2.743 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc3cc(OC)ccc3s2)C1 ZINC001236065598 778678247 /nfs/dbraw/zinc/67/82/47/778678247.db2.gz BWAAKOMKAIQZAW-LBPRGKRZSA-N 2 0 290.432 2.951 20 0 CFADRP C[C@@H](CC[N@@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1)CC(C)(C)C ZINC001236077795 778683222 /nfs/dbraw/zinc/68/32/22/778683222.db2.gz CMMBAYFUEXRHFG-RDJZCZTQSA-N 2 0 295.515 2.804 20 0 CFADRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001236079979 778683851 /nfs/dbraw/zinc/68/38/51/778683851.db2.gz UZUXOCNMKPWXED-LJQANCHMSA-N 2 0 299.462 2.561 20 0 CFADRP CC/C=C\CCCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC001236082935 778684755 /nfs/dbraw/zinc/68/47/55/778684755.db2.gz PXJRIEWEYXWKIG-PLNGDYQASA-N 2 0 281.488 2.740 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC001236083457 778685003 /nfs/dbraw/zinc/68/50/03/778685003.db2.gz UXHWERBDFDBJLA-QGZVFWFLSA-N 2 0 281.488 2.596 20 0 CFADRP [NH3+]CCCC[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001236089760 778686529 /nfs/dbraw/zinc/68/65/29/778686529.db2.gz XMKDWOSVCGQNIS-UHFFFAOYSA-N 2 0 297.446 2.696 20 0 CFADRP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236093400 778687603 /nfs/dbraw/zinc/68/76/03/778687603.db2.gz GUCVZKLTSGSSDE-KFWWJZLASA-N 2 0 270.461 2.887 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348316478 778688287 /nfs/dbraw/zinc/68/82/87/778688287.db2.gz IOJHBEFBMNFUOE-COSYGPSOSA-N 2 0 288.435 2.541 20 0 CFADRP C[C@H]1CN(Cc2ccc3c(c2)CCC(C)(C)O3)CCC[NH2+]1 ZINC001236095766 778690963 /nfs/dbraw/zinc/69/09/63/778690963.db2.gz YJXSIICZRQSEEL-AWEZNQCLSA-N 2 0 288.435 2.974 20 0 CFADRP FC1(F)C[C@H]2C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001168373874 778703683 /nfs/dbraw/zinc/70/36/83/778703683.db2.gz WHRBPJMFMZQZCZ-OKILXGFUSA-N 2 0 284.394 2.838 20 0 CFADRP CC[C@H]([NH3+])CN1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001236191991 778731859 /nfs/dbraw/zinc/73/18/59/778731859.db2.gz FDNVFJKDRFYVNM-KRWDZBQOSA-N 2 0 281.488 2.558 20 0 CFADRP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)CCCC[NH3+])CC1 ZINC001236202303 778732581 /nfs/dbraw/zinc/73/25/81/778732581.db2.gz QAZHNHXQNUQLLB-WKILWMFISA-N 2 0 298.471 2.807 20 0 CFADRP Cn1ccc2c1cccc2C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217415 778741849 /nfs/dbraw/zinc/74/18/49/778741849.db2.gz OZQAKPISEVNYDK-NVXWUHKLSA-N 2 0 271.408 2.880 20 0 CFADRP Nc1ccc2c(c1)C[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001236230331 778746144 /nfs/dbraw/zinc/74/61/44/778746144.db2.gz ASKKVWHLDIQZMO-UHFFFAOYSA-N 2 0 299.443 2.534 20 0 CFADRP C(C1CC1)[NH+]1CCC(N2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001168378143 778747119 /nfs/dbraw/zinc/74/71/19/778747119.db2.gz LSRVHWVXMCJPPY-HZPDHXFCSA-N 2 0 262.441 2.983 20 0 CFADRP COc1cc(C)c(C[NH+]2CCC[NH2+]CCC2)c(C)c1C ZINC001236240815 778749872 /nfs/dbraw/zinc/74/98/72/778749872.db2.gz VDCVJYOCTCOEAC-UHFFFAOYSA-N 2 0 276.424 2.806 20 0 CFADRP [NH3+]C12CC(CC[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)(C1)C2 ZINC001236288256 778761937 /nfs/dbraw/zinc/76/19/37/778761937.db2.gz YDFWKOFUKSSSNK-UHFFFAOYSA-N 3 0 299.462 2.512 20 0 CFADRP [NH3+]CCCCCC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286707 778762054 /nfs/dbraw/zinc/76/20/54/778762054.db2.gz NVXMUPOVSZQVDT-UHFFFAOYSA-N 3 0 289.467 2.760 20 0 CFADRP COc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314739 778773869 /nfs/dbraw/zinc/77/38/69/778773869.db2.gz GHINWNIISZXBOU-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc2c1CCC2 ZINC001236315279 778774609 /nfs/dbraw/zinc/77/46/09/778774609.db2.gz YZACINBXGQJVFW-HDICACEKSA-N 2 0 270.420 2.607 20 0 CFADRP CCOc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236316496 778775332 /nfs/dbraw/zinc/77/53/32/778775332.db2.gz TUGTVNBWRRMBIJ-IYBDPMFKSA-N 2 0 274.408 2.517 20 0 CFADRP c1cnc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2c1 ZINC001236317417 778776845 /nfs/dbraw/zinc/77/68/45/778776845.db2.gz WZRDOCGLCGDVTG-CALCHBBNSA-N 2 0 281.403 2.666 20 0 CFADRP c1ccc2c(c1)cncc2C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319985 778777389 /nfs/dbraw/zinc/77/73/89/778777389.db2.gz JQDLPZSJGGHSSE-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP CCCN(CCC[NH2+]C1CCCCC1)CCC[NH+](C)C ZINC001236321742 778779415 /nfs/dbraw/zinc/77/94/15/778779415.db2.gz FFCBCYVUTYBMAD-UHFFFAOYSA-N 2 0 283.504 2.963 20 0 CFADRP c1cc2c(c(-c3ccc4c(c3)C[NH2+]C4)c1)CC[NH2+]C2 ZINC001236352224 778789796 /nfs/dbraw/zinc/78/97/96/778789796.db2.gz JCPQSGTZONSIBP-UHFFFAOYSA-N 2 0 250.345 2.603 20 0 CFADRP CC[N@H+](CCc1ccc(F)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236407925 778805711 /nfs/dbraw/zinc/80/57/11/778805711.db2.gz IWUZAMMOWKEJNA-GFCCVEGCSA-N 2 0 284.806 2.953 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2ccnc(C[NH3+])c2)cc1 ZINC001236437354 778829613 /nfs/dbraw/zinc/82/96/13/778829613.db2.gz WTIDATHSPIFXDI-UHFFFAOYSA-N 2 0 269.392 2.953 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCC[NH2+]C2)CC2CCC2)CC1 ZINC001236542042 778871446 /nfs/dbraw/zinc/87/14/46/778871446.db2.gz SKLQEIPOEOHGEL-KBAYOESNSA-N 3 0 293.499 2.748 20 0 CFADRP [NH3+]Cc1ccc(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236553135 778875772 /nfs/dbraw/zinc/87/57/72/778875772.db2.gz NLLZMMXXQCMZLN-IYARVYRRSA-N 3 0 287.451 2.627 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCCO)C2CCCC2)CC1 ZINC001236566406 778878141 /nfs/dbraw/zinc/87/81/41/778878141.db2.gz GSMQGDODUXAGEO-KOMQPUFPSA-N 2 0 268.445 2.664 20 0 CFADRP Fc1ccccc1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584649 778886086 /nfs/dbraw/zinc/88/60/86/778886086.db2.gz NCPGKWLVWYHUOO-CQSZACIVSA-N 2 0 276.399 2.832 20 0 CFADRP [NH3+]Cc1ccccc1C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168412655 778891117 /nfs/dbraw/zinc/89/11/17/778891117.db2.gz RXQCQBHLCOZLGU-SFHVURJKSA-N 2 0 284.378 2.932 20 0 CFADRP COc1ccc(C)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236602138 778891309 /nfs/dbraw/zinc/89/13/09/778891309.db2.gz UUSKBKIJSJGEEQ-OAHLLOKOSA-N 2 0 288.435 2.968 20 0 CFADRP c1cc2c(c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)c1)CCN2 ZINC001236601954 778891995 /nfs/dbraw/zinc/89/19/95/778891995.db2.gz QUEGDPGEGSJEGJ-CQSZACIVSA-N 2 0 285.435 2.619 20 0 CFADRP C[NH+]1CCC(CCN([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236646743 778902629 /nfs/dbraw/zinc/90/26/29/778902629.db2.gz IGVFLDCYNXLZSW-SFHVURJKSA-N 2 0 293.499 2.715 20 0 CFADRP C[NH+]1CCC(CCN([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236646738 778902800 /nfs/dbraw/zinc/90/28/00/778902800.db2.gz IGVFLDCYNXLZSW-GOSISDBHSA-N 2 0 293.499 2.715 20 0 CFADRP CN1CCC[C@@H]2C[N@H+](Cc3cccc4ccoc43)C[C@@H]21 ZINC001236743958 778927975 /nfs/dbraw/zinc/92/79/75/778927975.db2.gz VEIHNLCHYCLAIK-ZBFHGGJFSA-N 2 0 270.376 2.959 20 0 CFADRP [NH3+]CCCC[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236756433 778928772 /nfs/dbraw/zinc/92/87/72/778928772.db2.gz WGPDIUGKWSXEMY-QAQDUYKDSA-N 3 0 281.488 2.878 20 0 CFADRP C[N@@H+](Cc1cccc2cccnc21)CC1CC[NH2+]CC1 ZINC000094010919 778940324 /nfs/dbraw/zinc/94/03/24/778940324.db2.gz PYUYTTQOJWONNX-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](CCCOc1ccc(F)cc1)CC2 ZINC001278013964 778950074 /nfs/dbraw/zinc/95/00/74/778950074.db2.gz WFJSMYTZIHNRFF-UHFFFAOYSA-N 2 0 292.398 2.622 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@H]12 ZINC001236817275 778951756 /nfs/dbraw/zinc/95/17/56/778951756.db2.gz AUAUNUDPZGGUSA-SCDSUCTJSA-N 2 0 289.810 2.990 20 0 CFADRP CCC[N@H+](CCc1cc(F)cc(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236826662 778955085 /nfs/dbraw/zinc/95/50/85/778955085.db2.gz CTBVUPBITQMSIJ-AWEZNQCLSA-N 2 0 282.378 2.829 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(CC)c1O ZINC001236826918 778955489 /nfs/dbraw/zinc/95/54/89/778955489.db2.gz DBAJGWGURYDVCZ-BBWFWOEESA-N 2 0 288.435 2.686 20 0 CFADRP CCCOc1cc(F)ccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236826350 778955635 /nfs/dbraw/zinc/95/56/35/778955635.db2.gz BWVDBJVJSBEWQO-RCBQFDQVSA-N 2 0 292.398 2.784 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC001236831363 778958435 /nfs/dbraw/zinc/95/84/35/778958435.db2.gz QPOMWUJKIIORRJ-BHYGNILZSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@@H+](Cc1ccc(OCC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236836492 778960354 /nfs/dbraw/zinc/96/03/54/778960354.db2.gz WILVMKBZPSOCTD-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP CCC[N@@H+](Cc1ccc(OCC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236836490 778960948 /nfs/dbraw/zinc/96/09/48/778960948.db2.gz WILVMKBZPSOCTD-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP CCC[N@@H+](Cc1cc2ccccc2n1C)C[C@@H]1CC[NH2+]C1 ZINC001236836513 778961189 /nfs/dbraw/zinc/96/11/89/778961189.db2.gz WPTCPUHXZPGRFE-OAHLLOKOSA-N 2 0 285.435 3.000 20 0 CFADRP CC[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)C(C)C ZINC001236887235 778973715 /nfs/dbraw/zinc/97/37/15/778973715.db2.gz MHBYEUYINJTXLE-UHFFFAOYSA-N 2 0 275.440 2.669 20 0 CFADRP CCCC[N@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236887230 778974255 /nfs/dbraw/zinc/97/42/55/778974255.db2.gz MEINMQITWQEHIC-UHFFFAOYSA-N 2 0 275.440 2.670 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c2)CC1 ZINC001236890061 778975042 /nfs/dbraw/zinc/97/50/42/778975042.db2.gz MHEAQLQSCRDVJQ-HDICACEKSA-N 2 0 299.462 2.526 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C2(CC2)C1 ZINC001236894671 778976265 /nfs/dbraw/zinc/97/62/65/778976265.db2.gz SIOWKQWXFDENGR-INIZCTEOSA-N 2 0 299.462 2.813 20 0 CFADRP C(C1CC[NH2+]CC1)C1CC[NH+](CC2CCC2)CC1 ZINC001236947902 778983884 /nfs/dbraw/zinc/98/38/84/778983884.db2.gz CGWNENSSZBZKAX-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2CCC[NH+](C)C ZINC001278049859 779007626 /nfs/dbraw/zinc/00/76/26/779007626.db2.gz UDPUDGDPZZHQBP-KURKYZTESA-N 2 0 295.515 2.913 20 0 CFADRP c1cc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC001237144627 779025357 /nfs/dbraw/zinc/02/53/57/779025357.db2.gz KKTAYWRFVQLLHY-QGZVFWFLSA-N 2 0 286.419 2.728 20 0 CFADRP Cc1cc(F)cc(C)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001237318906 779075511 /nfs/dbraw/zinc/07/55/11/779075511.db2.gz CWOQYOSWRYVBMS-CABCVRRESA-N 2 0 276.399 2.826 20 0 CFADRP [NH3+]C12CC(CC[NH+]3CCC4(Cc5ccccc5N4)CC3)(C1)C2 ZINC001237328479 779077550 /nfs/dbraw/zinc/07/75/50/779077550.db2.gz GFQFJCYEZCCPFD-UHFFFAOYSA-N 2 0 297.446 2.761 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1C ZINC001237381271 779087863 /nfs/dbraw/zinc/08/78/63/779087863.db2.gz ILGLUXCDVQEKNP-IAGOWNOFSA-N 2 0 258.409 2.877 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC001237383916 779089111 /nfs/dbraw/zinc/08/91/11/779089111.db2.gz SRQQJUSNNCZESI-DLBZAZTESA-N 2 0 258.409 2.877 20 0 CFADRP COc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237383831 779089452 /nfs/dbraw/zinc/08/94/52/779089452.db2.gz RXRLBKWEWRUICG-AEFFLSMTSA-N 2 0 288.435 2.702 20 0 CFADRP c1cc2c(cccc2C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)[nH]1 ZINC001237384014 779089874 /nfs/dbraw/zinc/08/98/74/779089874.db2.gz TYHVJFIWSLOSRH-GOEBONIOSA-N 2 0 269.392 2.742 20 0 CFADRP CSc1ccccc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237405585 779098696 /nfs/dbraw/zinc/09/86/96/779098696.db2.gz RLHYDNQRVKUBTH-DZGCQCFKSA-N 2 0 276.449 2.982 20 0 CFADRP CSc1ccccc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237405588 779099291 /nfs/dbraw/zinc/09/92/91/779099291.db2.gz RLHYDNQRVKUBTH-HIFRSBDPSA-N 2 0 276.449 2.982 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2cccnc12 ZINC001237411258 779101537 /nfs/dbraw/zinc/10/15/37/779101537.db2.gz FBDRQTYAIACHDB-GOEBONIOSA-N 2 0 297.402 2.514 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@H](C)Cc1cccc(F)c1 ZINC001168456314 779183899 /nfs/dbraw/zinc/18/38/99/779183899.db2.gz OZCTTXAUJUJOEG-CYBMUJFWSA-N 2 0 252.377 2.818 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CCOC[C@@H]3C)cc21 ZINC001237876013 779197703 /nfs/dbraw/zinc/19/77/03/779197703.db2.gz BTOYEZWOCJQZJG-AWEZNQCLSA-N 2 0 286.419 2.909 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001168463634 779207192 /nfs/dbraw/zinc/20/71/92/779207192.db2.gz ALNOEWGFWWABJI-CQDKDKBSSA-N 2 0 250.361 2.616 20 0 CFADRP FCC[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699297849 779238551 /nfs/dbraw/zinc/23/85/51/779238551.db2.gz BMUHMGSABNVPBE-AVOUXACISA-N 2 0 254.393 2.589 20 0 CFADRP c1[nH+]cn2c1cccc2CN1CCC([NH+]2CCCCC2)CC1 ZINC001238102435 779253017 /nfs/dbraw/zinc/25/30/17/779253017.db2.gz CLJKEYPBNWAJFW-UHFFFAOYSA-N 2 0 298.434 2.785 20 0 CFADRP CC1([NH+]2CCCC2)CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238115143 779258355 /nfs/dbraw/zinc/25/83/55/779258355.db2.gz FLXOVUGFGBYLFX-UHFFFAOYSA-N 2 0 298.434 2.785 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000699456600 779265891 /nfs/dbraw/zinc/26/58/91/779265891.db2.gz MTWJIIIDUVDXNM-SJORKVTESA-N 2 0 276.424 2.523 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000699504359 779282627 /nfs/dbraw/zinc/28/26/27/779282627.db2.gz QUOLIMGHXJRALV-KSZLIROESA-N 2 0 288.435 2.523 20 0 CFADRP c1ccc(CCCCC[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235263156 779333899 /nfs/dbraw/zinc/33/38/99/779333899.db2.gz STHLHBOCDCZNLE-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(C)c1 ZINC001235336222 779343532 /nfs/dbraw/zinc/34/35/32/779343532.db2.gz UITFDJWQRDYDNI-UHFFFAOYSA-N 2 0 258.409 2.735 20 0 CFADRP COc1cc(C)cc(F)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001238596260 779347651 /nfs/dbraw/zinc/34/76/51/779347651.db2.gz UABXHOIVTGZHKD-UHFFFAOYSA-N 2 0 292.398 2.670 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])cc(C)c1Br ZINC001235435764 779353692 /nfs/dbraw/zinc/35/36/92/779353692.db2.gz XZPIVILSCBDHMC-UHFFFAOYSA-N 2 0 285.229 2.847 20 0 CFADRP CCOc1ccc(C)c(CN2CCC([NH+](C)C)CC2)c1 ZINC001238704856 779369829 /nfs/dbraw/zinc/36/98/29/779369829.db2.gz LTGALHFCIDTBMG-UHFFFAOYSA-N 2 0 276.424 2.920 20 0 CFADRP CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235778206 779378288 /nfs/dbraw/zinc/37/82/88/779378288.db2.gz WFIHPNRZJBDFFF-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC001235841325 779384696 /nfs/dbraw/zinc/38/46/96/779384696.db2.gz DLMKMFKGCLXCHO-CYBMUJFWSA-N 2 0 266.816 2.998 20 0 CFADRP C[C@H]1C[N@H+](CC2(F)CC[NH2+]CC2)Cc2ccccc21 ZINC001205164866 779386138 /nfs/dbraw/zinc/38/61/38/779386138.db2.gz UBJKMWXBXPKLDV-ZDUSSCGKSA-N 2 0 262.372 2.697 20 0 CFADRP CCOc1ccc(CN2C[C@H]([NH3+])C[C@H](C)C2)c(C)c1 ZINC001236044750 779447927 /nfs/dbraw/zinc/44/79/27/779447927.db2.gz AEQPXKSWPYUHTF-SWLSCSKDSA-N 2 0 262.397 2.563 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc3c2C[NH2+]CC3)cn1 ZINC001239208043 779471445 /nfs/dbraw/zinc/47/14/45/779471445.db2.gz GPUPACBTHVELQP-UHFFFAOYSA-N 2 0 298.434 2.538 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000721274857 779527031 /nfs/dbraw/zinc/52/70/31/779527031.db2.gz QYFXEFIWJMQJCO-CAOSSQGBSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@H+](CCc1ccc(OC)cc1)CC1(C)CC[NH2+]CC1 ZINC001236303892 779533743 /nfs/dbraw/zinc/53/37/43/779533743.db2.gz ULMORCRAIFQARC-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP C[C@H]([NH3+])CN(C)CCCc1ccccc1Br ZINC001236885510 779656836 /nfs/dbraw/zinc/65/68/36/779656836.db2.gz LYLROBRIJXUNHL-NSHDSACASA-N 2 0 285.229 2.661 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001239798685 779781116 /nfs/dbraw/zinc/78/11/16/779781116.db2.gz HKKDVMOCRTTZRX-INIZCTEOSA-N 2 0 253.349 2.632 20 0 CFADRP Cn1ccc2cc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)ccc21 ZINC001239942071 779876361 /nfs/dbraw/zinc/87/63/61/779876361.db2.gz QVNNILXKNTVAEY-UHFFFAOYSA-N 2 0 292.386 2.650 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205209711 779915538 /nfs/dbraw/zinc/91/55/38/779915538.db2.gz KQCABSRPEDCEBZ-SFHVURJKSA-N 2 0 290.451 2.528 20 0 CFADRP C[NH+](C)Cc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)nc1 ZINC001168542899 779919139 /nfs/dbraw/zinc/91/91/39/779919139.db2.gz FVJVVHILQFNUGF-OAHLLOKOSA-N 2 0 296.418 2.727 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC001240059481 779930065 /nfs/dbraw/zinc/93/00/65/779930065.db2.gz KQZZYBHLCDXPII-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP CCOc1ccccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001203545821 779972563 /nfs/dbraw/zinc/97/25/63/779972563.db2.gz UCYQWTNUZZNVBP-UHFFFAOYSA-N 2 0 274.408 2.613 20 0 CFADRP CCOC(=O)CCCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715511867 780008761 /nfs/dbraw/zinc/00/87/61/780008761.db2.gz MVMHNOGIRAIUKS-UHFFFAOYSA-N 2 0 284.444 2.572 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000715502453 780009203 /nfs/dbraw/zinc/00/92/03/780009203.db2.gz SKSQHIZQOHLEGD-UHFFFAOYSA-N 2 0 262.397 2.528 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2cc3c(nn2)CC[NH2+]C3)cc1 ZINC001240361946 780114154 /nfs/dbraw/zinc/11/41/54/780114154.db2.gz QWVWSMTWWCKQCB-UHFFFAOYSA-N 2 0 296.418 2.677 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000715543382 780142511 /nfs/dbraw/zinc/14/25/11/780142511.db2.gz MUYYHVKBYXDJIE-FZKCQIBNSA-N 2 0 268.445 2.652 20 0 CFADRP c1cc(-c2ccc3c(c2)CC[NH2+]C3)ncc1C[NH+]1CCCC1 ZINC001240453740 780174744 /nfs/dbraw/zinc/17/47/44/780174744.db2.gz AWNGTEJPGSFZKZ-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP c1cc2c(c(-c3ccc4c(c3)CC[NH2+]C4)c1)CC[NH2+]C2 ZINC001240455679 780176919 /nfs/dbraw/zinc/17/69/19/780176919.db2.gz CHWPYDHXKBVNAQ-UHFFFAOYSA-N 2 0 264.372 2.645 20 0 CFADRP c1nc2ccc(C3=CC[NH2+]CC3)cc2n1[C@H]1CCC[NH2+]CC1 ZINC001240468027 780185834 /nfs/dbraw/zinc/18/58/34/780185834.db2.gz JYNOJCNKUYSJGD-INIZCTEOSA-N 2 0 296.418 2.728 20 0 CFADRP Cc1n[nH]cc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001240522801 780230220 /nfs/dbraw/zinc/23/02/20/780230220.db2.gz OHPSEXXPKGYGJX-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP [NH3+]CC1CCN(Cc2cc(F)c(Cl)cc2F)CC1 ZINC001205040806 780233269 /nfs/dbraw/zinc/23/32/69/780233269.db2.gz IPTREXBIOWQYQG-UHFFFAOYSA-N 2 0 274.742 2.789 20 0 CFADRP Clc1cccc2c1C[C@@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001168702456 780411090 /nfs/dbraw/zinc/41/10/90/780411090.db2.gz UMTHPTNLTLYLDC-AWEZNQCLSA-N 2 0 290.838 2.883 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000453087490 780413797 /nfs/dbraw/zinc/41/37/97/780413797.db2.gz QBHBROTVFQWKMU-HOTGVXAUSA-N 2 0 278.440 2.551 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000453119885 780415048 /nfs/dbraw/zinc/41/50/48/780415048.db2.gz MWSFOMJCUZXJNI-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000423510557 780442769 /nfs/dbraw/zinc/44/27/69/780442769.db2.gz MNPYPQKSLMPJFM-JKSUJKDBSA-N 2 0 284.407 2.857 20 0 CFADRP C(c1ccc(C[NH+]2CCCCC2)cn1)=C1CC[NH2+]CC1 ZINC001240878114 780496638 /nfs/dbraw/zinc/49/66/38/780496638.db2.gz CSMWGCNNZHVGHP-UHFFFAOYSA-N 2 0 271.408 2.834 20 0 CFADRP COc1cc(-n2ccnc2)ccc1C=C1CC[NH2+]CC1 ZINC001240879245 780497748 /nfs/dbraw/zinc/49/77/48/780497748.db2.gz LTBYTNQBLKEIGC-UHFFFAOYSA-N 2 0 269.348 2.648 20 0 CFADRP COc1ccc(C=C2CC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC001240879773 780498704 /nfs/dbraw/zinc/49/87/04/780498704.db2.gz ZSBQXZMAIMRBLQ-UHFFFAOYSA-N 2 0 260.381 2.524 20 0 CFADRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]21 ZINC001168742770 780598702 /nfs/dbraw/zinc/59/87/02/780598702.db2.gz GKZHXDKOGCBJMC-CPUCHLNUSA-N 2 0 290.838 2.833 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000700314536 780676782 /nfs/dbraw/zinc/67/67/82/780676782.db2.gz VFLUBUAXKRNDIA-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP Nc1cc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)ccn1 ZINC001241170466 780682379 /nfs/dbraw/zinc/68/23/79/780682379.db2.gz PMKYFFROAPHDBU-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000700632156 780711481 /nfs/dbraw/zinc/71/14/81/780711481.db2.gz XDFMFVODXSHUNE-SECBINFHSA-N 2 0 289.242 2.681 20 0 CFADRP C[N@H+]1CC=C(c2cccc(C3CC[NH2+]CC3)c2)CC1 ZINC001241326954 780781866 /nfs/dbraw/zinc/78/18/66/780781866.db2.gz CRIXUALAZPKOAE-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP C/C=C(\NC=[NH2+])C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241501369 780945478 /nfs/dbraw/zinc/94/54/78/780945478.db2.gz BOLNQCZMULJFKE-CFZMTHNTSA-N 2 0 255.365 2.919 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc(CO)cc2)CC1 ZINC001241558355 780978855 /nfs/dbraw/zinc/97/88/55/780978855.db2.gz AZCPZTOIDDBLJM-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP C[NH+]1CCCC[C@@H]1c1ccc(C2=CCC[N@@H+](C)C2)nc1 ZINC001241568513 780985322 /nfs/dbraw/zinc/98/53/22/780985322.db2.gz FDXLKJVVZWOIID-QGZVFWFLSA-N 2 0 271.408 2.957 20 0 CFADRP CC[NH+](CC)Cc1ccc(C)c(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241614703 781018625 /nfs/dbraw/zinc/01/86/25/781018625.db2.gz ROXVZNMVUJEXHU-UHFFFAOYSA-N 2 0 298.434 2.845 20 0 CFADRP CC[NH+](CC)Cc1cc(C)ccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241615204 781019440 /nfs/dbraw/zinc/01/94/40/781019440.db2.gz WEWLFRXQDLNRLR-UHFFFAOYSA-N 2 0 298.434 2.845 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000703574977 781035166 /nfs/dbraw/zinc/03/51/66/781035166.db2.gz BNCVMVJJBBLNRW-USXIJHARSA-N 2 0 256.393 2.605 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC000703577231 781035527 /nfs/dbraw/zinc/03/55/27/781035527.db2.gz UVSOMKGGHAEUSL-DLBZAZTESA-N 2 0 256.393 2.605 20 0 CFADRP CC(C)C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703885235 781075188 /nfs/dbraw/zinc/07/51/88/781075188.db2.gz LLYLZHPPFUMNFQ-WZYMTQMTSA-N 2 0 250.430 2.885 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000703885041 781075282 /nfs/dbraw/zinc/07/52/82/781075282.db2.gz BMQJZBCBRRDZBN-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP CC[NH+]1CCN(c2ccc(-c3ccc(C[NH3+])cc3)cc2)CC1 ZINC001241744049 781105361 /nfs/dbraw/zinc/10/53/61/781105361.db2.gz SXIPHEQDOZMDAJ-UHFFFAOYSA-N 2 0 295.430 2.954 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000704777765 781116135 /nfs/dbraw/zinc/11/61/35/781116135.db2.gz VDTWAENLDMXLAN-YJNKXOJESA-N 2 0 268.470 2.640 20 0 CFADRP Cc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc(Cl)n1 ZINC000706065264 781156930 /nfs/dbraw/zinc/15/69/30/781156930.db2.gz CTEVZYBIRRQAKT-ZDUSSCGKSA-N 2 0 281.831 2.865 20 0 CFADRP CC[N@H+](CCC(F)(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000708416243 781272900 /nfs/dbraw/zinc/27/29/00/781272900.db2.gz XNLQRBDKBFVGKK-YOGCLGLASA-N 2 0 264.335 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]12C[C@@H]1CCCC2 ZINC000708874864 781283685 /nfs/dbraw/zinc/28/36/85/781283685.db2.gz KXNCXTVUCPVKAG-RHJCGQNESA-N 2 0 262.441 2.933 20 0 CFADRP CC1(C)C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC2(C)C)C(C)(C)O1 ZINC000709655666 781296745 /nfs/dbraw/zinc/29/67/45/781296745.db2.gz KBGCGZDRVWAYPL-QWHCGFSZSA-N 2 0 268.445 2.558 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C(C)(C)O1 ZINC000709702068 781302542 /nfs/dbraw/zinc/30/25/42/781302542.db2.gz JFLURXCXFKOGKD-XGUBFFRZSA-N 2 0 280.456 2.639 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)S3)[NH2+]2 ZINC000709451402 781311617 /nfs/dbraw/zinc/31/16/17/781311617.db2.gz MZHSMDYIZMCAPF-ZTLOMELHSA-N 2 0 266.454 2.532 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000709844824 781320038 /nfs/dbraw/zinc/32/00/38/781320038.db2.gz HASDGLVCFRDDCZ-MRVWCRGKSA-N 2 0 286.341 2.859 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709921191 781322550 /nfs/dbraw/zinc/32/25/50/781322550.db2.gz VNPHTSFGKOZJCH-JKSUJKDBSA-N 2 0 278.440 2.554 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000710004376 781325707 /nfs/dbraw/zinc/32/57/07/781325707.db2.gz AQBUXFBNCIDWSC-ZIAGYGMSSA-N 2 0 266.433 2.581 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cnc(Cl)s1 ZINC000710706299 781335379 /nfs/dbraw/zinc/33/53/79/781335379.db2.gz SVDZMBNMDBSJGB-UHFFFAOYSA-N 2 0 261.822 2.747 20 0 CFADRP C[N@H+](CCCCCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000710760930 781338550 /nfs/dbraw/zinc/33/85/50/781338550.db2.gz VKSHQTQXUWQHJT-KRWDZBQOSA-N 2 0 260.425 2.995 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](CC)CO1 ZINC000710896708 781344099 /nfs/dbraw/zinc/34/40/99/781344099.db2.gz CWPBQQVSYBILJC-UONOGXRCSA-N 2 0 294.464 2.783 20 0 CFADRP C[C@H](C[NH+](C)C)Nc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001163785846 781584910 /nfs/dbraw/zinc/58/49/10/781584910.db2.gz IGNWKWYDQPSWQQ-CYBMUJFWSA-N 2 0 293.480 2.893 20 0 CFADRP c1cc(N2CCCC2)cc(-c2ccc3c(c2)C[NH2+]C3)[nH+]1 ZINC001242674027 781689548 /nfs/dbraw/zinc/68/95/48/781689548.db2.gz KMDFIBIMBAJSJD-UHFFFAOYSA-N 2 0 265.360 2.952 20 0 CFADRP c1cc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc2c1C[NH2+]C2 ZINC001242675383 781690522 /nfs/dbraw/zinc/69/05/22/781690522.db2.gz FSOMXIKJSPFFPR-GOSISDBHSA-N 2 0 280.371 2.698 20 0 CFADRP Nc1[nH+]ccn1-c1cccc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242676049 781691435 /nfs/dbraw/zinc/69/14/35/781691435.db2.gz NDHOHOKMJLUEQT-UHFFFAOYSA-N 2 0 276.343 2.725 20 0 CFADRP C[N@@H+]1CCc2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2C1 ZINC001242677492 781693673 /nfs/dbraw/zinc/69/36/73/781693673.db2.gz FSFKYZYQEVOPHK-UHFFFAOYSA-N 2 0 264.372 2.945 20 0 CFADRP c1cc2cc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cnc2s1 ZINC001242681439 781695930 /nfs/dbraw/zinc/69/59/30/781695930.db2.gz IFPCKXLAIBEINV-UHFFFAOYSA-N 2 0 296.399 2.768 20 0 CFADRP Cc1cnc(C2=CC[C@H]([NH+]3CCCC3)CC2)c(C[NH3+])c1 ZINC001242689619 781698025 /nfs/dbraw/zinc/69/80/25/781698025.db2.gz UCSGZEYSQJYOIL-INIZCTEOSA-N 2 0 271.408 2.880 20 0 CFADRP CCC[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000187719875 260164119 /nfs/dbraw/zinc/16/41/19/260164119.db2.gz RJBFSVCJIJOKMI-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000096088698 185093921 /nfs/dbraw/zinc/09/39/21/185093921.db2.gz YNVPPCKTAFKUHN-UHFFFAOYSA-N 2 0 258.409 2.647 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000595030751 349556755 /nfs/dbraw/zinc/55/67/55/349556755.db2.gz AESKKDVMZAHZJK-KBPBESRZSA-N 2 0 276.465 2.932 20 0 CFADRP C[C@H](CSCCF)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000595030756 349557556 /nfs/dbraw/zinc/55/75/56/349557556.db2.gz AESKKDVMZAHZJK-ZIAGYGMSSA-N 2 0 276.465 2.932 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000595044946 349561861 /nfs/dbraw/zinc/56/18/61/349561861.db2.gz PKNUAPZKSLRQPM-HIFPTAJRSA-N 2 0 262.438 2.540 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000595065895 349572085 /nfs/dbraw/zinc/57/20/85/349572085.db2.gz FXEDAHCAYHBETK-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000595098173 349581433 /nfs/dbraw/zinc/58/14/33/349581433.db2.gz BOFQIYWMOILDCO-KGLIPLIRSA-N 2 0 296.455 2.571 20 0 CFADRP CCSC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000595100616 349582227 /nfs/dbraw/zinc/58/22/27/349582227.db2.gz SQCIBBCMCLXSDG-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000125472411 187186820 /nfs/dbraw/zinc/18/68/20/187186820.db2.gz NVBPFLFYHLKZRZ-ZDUSSCGKSA-N 2 0 250.386 2.971 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414849037 529431299 /nfs/dbraw/zinc/43/12/99/529431299.db2.gz HBSQDAQBPNJLGR-HYVNUMGLSA-N 2 0 260.425 2.985 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@@H]([NH+](C)C)CC2)c1Cl ZINC000334221538 282186074 /nfs/dbraw/zinc/18/60/74/282186074.db2.gz XCHNIZYTCYFRGE-GFCCVEGCSA-N 2 0 267.804 2.964 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000070183476 346907093 /nfs/dbraw/zinc/90/70/93/346907093.db2.gz HLQFUKZEKIJSBU-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000070183501 346907270 /nfs/dbraw/zinc/90/72/70/346907270.db2.gz PLNGRXOYFIFODH-UHFFFAOYSA-N 2 0 258.365 2.994 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828665 529540040 /nfs/dbraw/zinc/54/00/40/529540040.db2.gz JEXCHXQUWCFYOT-IRXDYDNUSA-N 2 0 260.425 2.905 20 0 CFADRP CC[C@H]([NH2+]CCC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423116356 529595097 /nfs/dbraw/zinc/59/50/97/529595097.db2.gz PNISLLLUSHUBMZ-SDADXPQNSA-N 2 0 268.445 2.700 20 0 CFADRP CC[C@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771626 529589937 /nfs/dbraw/zinc/58/99/37/529589937.db2.gz XNIGPRPHBOCRML-PMPSAXMXSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414165050 529592511 /nfs/dbraw/zinc/59/25/11/529592511.db2.gz PASZNXFSBKMFES-RDBSUJKOSA-N 2 0 270.486 2.838 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]1C ZINC000414156695 529593566 /nfs/dbraw/zinc/59/35/66/529593566.db2.gz VITOIQXELXFNEK-KCXAZCMYSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC1(C)C ZINC000414125681 529584974 /nfs/dbraw/zinc/58/49/74/529584974.db2.gz QHMALUWUUSHMNZ-OIISXLGYSA-N 2 0 294.483 2.902 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423262274 529622119 /nfs/dbraw/zinc/62/21/19/529622119.db2.gz UVPGVPSZEMHNGN-ZIAGYGMSSA-N 2 0 261.413 2.684 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@H]1CCOC1 ZINC000423291855 529629568 /nfs/dbraw/zinc/62/95/68/529629568.db2.gz KEFLRXKGDULXKE-RCBQFDQVSA-N 2 0 262.397 2.611 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423211697 529614442 /nfs/dbraw/zinc/61/44/42/529614442.db2.gz LERKGSXSGQOSES-HIFRSBDPSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423112379 529650064 /nfs/dbraw/zinc/65/00/64/529650064.db2.gz XJHMRAHQXBPGMS-DYEKYZERSA-N 2 0 280.412 2.870 20 0 CFADRP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000414833995 529651547 /nfs/dbraw/zinc/65/15/47/529651547.db2.gz SDHDPVVAPKIVGI-FOSCPWQOSA-N 2 0 250.411 2.683 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423428883 529662759 /nfs/dbraw/zinc/66/27/59/529662759.db2.gz JQUYZVWOJXELLM-LJISPDSOSA-N 2 0 250.430 2.789 20 0 CFADRP CCC(CC)[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000422999383 282272575 /nfs/dbraw/zinc/27/25/75/282272575.db2.gz SLRJSCRTRAFBFL-BCLQGDPASA-N 2 0 270.461 2.935 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000422996196 282273270 /nfs/dbraw/zinc/27/32/70/282273270.db2.gz LGUUSYPRBDTSOC-IMJJTQAJSA-N 2 0 270.461 2.805 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000422996686 282273431 /nfs/dbraw/zinc/27/34/31/282273431.db2.gz MTPFINQDDSCFNM-YUELXQCFSA-N 2 0 256.434 2.558 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)OC ZINC000422996197 282274162 /nfs/dbraw/zinc/27/41/62/282274162.db2.gz LGUUSYPRBDTSOC-KBMXLJTQSA-N 2 0 270.461 2.805 20 0 CFADRP CCc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC000422736696 529723891 /nfs/dbraw/zinc/72/38/91/529723891.db2.gz YPQDDKXORKWKBO-KEYYUXOJSA-N 2 0 277.456 2.567 20 0 CFADRP CCc1ccc([C@H]2C[NH2+]CCN2CC[NH2+]C(C)(C)C)cc1 ZINC000414737273 529729350 /nfs/dbraw/zinc/72/93/50/529729350.db2.gz NKZPWHLBVQMGOQ-QGZVFWFLSA-N 2 0 289.467 2.583 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000423253341 529729812 /nfs/dbraw/zinc/72/98/12/529729812.db2.gz VUEDDIJXHDZGIN-CMPLNLGQSA-N 2 0 267.442 2.664 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000126847945 187266107 /nfs/dbraw/zinc/26/61/07/187266107.db2.gz IIXQVLQBKUUDLV-GWCFXTLKSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000348062590 539347003 /nfs/dbraw/zinc/34/70/03/539347003.db2.gz KUWPETNIMOGOPN-YALNPMBYSA-N 2 0 280.456 2.654 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420405089 282300561 /nfs/dbraw/zinc/30/05/61/282300561.db2.gz SSEBBBVFXKOQLI-YJBOKZPZSA-N 2 0 287.451 2.717 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000119868748 539365046 /nfs/dbraw/zinc/36/50/46/539365046.db2.gz TZXNJHLWCXMGRI-CQSZACIVSA-N 2 0 276.424 2.824 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423208095 529971598 /nfs/dbraw/zinc/97/15/98/529971598.db2.gz YVJIEHVQLIQMSH-GOSISDBHSA-N 2 0 299.418 2.573 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000423198682 529971611 /nfs/dbraw/zinc/97/16/11/529971611.db2.gz HFNFCUWYVMNZFR-LLVKDONJSA-N 2 0 290.436 2.774 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CCC(F)(F)F)CC1 ZINC000075007646 347047588 /nfs/dbraw/zinc/04/75/88/347047588.db2.gz FAHADJQBDRXDFV-UHFFFAOYSA-N 2 0 296.377 2.762 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423198635 529971283 /nfs/dbraw/zinc/97/12/83/529971283.db2.gz GXYNSINAGXJBMZ-NSHDSACASA-N 2 0 290.329 2.888 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348297572 539390774 /nfs/dbraw/zinc/39/07/74/539390774.db2.gz ZRPDWGLNHGSFJX-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]C[C@@H](C)CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414829071 529985338 /nfs/dbraw/zinc/98/53/38/529985338.db2.gz AJGIKOVLZQJUGZ-MRXNPFEDSA-N 2 0 291.483 2.590 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423256379 529986403 /nfs/dbraw/zinc/98/64/03/529986403.db2.gz BTIKQOCAKRASPE-ABAIWWIYSA-N 2 0 250.361 2.648 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000414829717 529998777 /nfs/dbraw/zinc/99/87/77/529998777.db2.gz BIIOBOWMCWBMHP-JTQLQIEISA-N 2 0 254.805 2.902 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)cc1C ZINC000414834765 529998804 /nfs/dbraw/zinc/99/88/04/529998804.db2.gz HQVSOFYTQLBOFS-JTQLQIEISA-N 2 0 285.229 2.703 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414852307 529999555 /nfs/dbraw/zinc/99/95/55/529999555.db2.gz QTHDNRWGZQNZHW-USXIJHARSA-N 2 0 260.425 2.942 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000423285269 529999582 /nfs/dbraw/zinc/99/95/82/529999582.db2.gz ZHCMNEOGISHMJH-GUYCJALGSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423282309 529999615 /nfs/dbraw/zinc/99/96/15/529999615.db2.gz WKJCMRPNXYPZLF-DOTOQJQBSA-N 2 0 278.440 2.673 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423274005 529999789 /nfs/dbraw/zinc/99/97/89/529999789.db2.gz LOEOJCAWJQBVPD-WDEREUQCSA-N 2 0 252.427 2.743 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423266177 530000184 /nfs/dbraw/zinc/00/01/84/530000184.db2.gz CYSOOQZZGJNARP-BPUTZDHNSA-N 2 0 276.424 2.678 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)nc1 ZINC000088523256 539406910 /nfs/dbraw/zinc/40/69/10/539406910.db2.gz JKCCZDAVQSJOBB-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000414175160 530055147 /nfs/dbraw/zinc/05/51/47/530055147.db2.gz GZESDXKKMWZUOC-SUMWQHHRSA-N 2 0 291.414 2.993 20 0 CFADRP CN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000423155502 530061494 /nfs/dbraw/zinc/06/14/94/530061494.db2.gz LGJOEANKRMTIHO-MYSGWJLTSA-N 2 0 285.435 2.830 20 0 CFADRP COCCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000122458128 539456959 /nfs/dbraw/zinc/45/69/59/539456959.db2.gz WIGLBRGMGWLJDA-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000097904589 232182351 /nfs/dbraw/zinc/18/23/51/232182351.db2.gz KBCLCQPTHJKMGM-NSHDSACASA-N 2 0 254.324 2.526 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000089623145 539479143 /nfs/dbraw/zinc/47/91/43/539479143.db2.gz RGTRCHILHWGZKM-HUUCEWRRSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000123102427 539484574 /nfs/dbraw/zinc/48/45/74/539484574.db2.gz FMEOUWZOAWTJFY-KGLIPLIRSA-N 2 0 276.424 2.643 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)CC1)N1CC[NH+](C)CC1 ZINC000226500767 539485556 /nfs/dbraw/zinc/48/55/56/539485556.db2.gz VAJLZKFLCDDBFB-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000070359424 539490008 /nfs/dbraw/zinc/49/00/08/539490008.db2.gz ZDIUWFWPWDRYDO-JYJNAYRXSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccncc1 ZINC000171126446 232265032 /nfs/dbraw/zinc/26/50/32/232265032.db2.gz OCBAQEJIXVPVFN-CQSZACIVSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CCC[NH+]1CCCC1 ZINC000071269752 539506365 /nfs/dbraw/zinc/50/63/65/539506365.db2.gz SSLXCVFLAVQGGH-CYBMUJFWSA-N 2 0 252.427 2.755 20 0 CFADRP CCC[NH+]1CCC(NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000123580386 539502382 /nfs/dbraw/zinc/50/23/82/539502382.db2.gz ADGOOQKSUDUSMW-UHFFFAOYSA-N 2 0 289.467 2.712 20 0 CFADRP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123994412 539512971 /nfs/dbraw/zinc/51/29/71/539512971.db2.gz FPDKQNQAXJXGGU-UONOGXRCSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000668474620 539518788 /nfs/dbraw/zinc/51/87/88/539518788.db2.gz DEVQFTCLCLHXKH-SJORKVTESA-N 2 0 291.483 2.652 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCC12CCC2 ZINC000668475955 539519171 /nfs/dbraw/zinc/51/91/71/539519171.db2.gz SZLJAJCZCZHZGQ-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)[C@H]1OC ZINC000423462328 282449807 /nfs/dbraw/zinc/44/98/07/282449807.db2.gz DORYVOWHHBJYGX-IBEHDNSVSA-N 2 0 282.472 2.933 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC000020907979 346244862 /nfs/dbraw/zinc/24/48/62/346244862.db2.gz DZNJZELEMRIFSR-INIZCTEOSA-N 2 0 268.445 2.752 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000596652423 349969530 /nfs/dbraw/zinc/96/95/30/349969530.db2.gz UHBNJBFATZONPW-OLZOCXBDSA-N 2 0 256.459 2.769 20 0 CFADRP C(C1CC[NH+](CC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000051957783 346508017 /nfs/dbraw/zinc/50/80/17/346508017.db2.gz PFRITDLAPHZKLB-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000060298043 346661737 /nfs/dbraw/zinc/66/17/37/346661737.db2.gz QJBJSHXAQKQQNJ-UHFFFAOYSA-N 2 0 288.435 2.621 20 0 CFADRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000066245141 346751434 /nfs/dbraw/zinc/75/14/34/346751434.db2.gz MQUYRIQJVXUBGA-OAHLLOKOSA-N 2 0 274.412 2.743 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000414844114 282516516 /nfs/dbraw/zinc/51/65/16/282516516.db2.gz RAHPOTHSJQJTAG-LRDDRELGSA-N 2 0 278.827 2.787 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000077450187 347193482 /nfs/dbraw/zinc/19/34/82/347193482.db2.gz JWHLNVDGXPPMQI-UHFFFAOYSA-N 2 0 290.451 2.530 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000085823894 179183820 /nfs/dbraw/zinc/18/38/20/179183820.db2.gz PWXUQIZEENQMER-QGZVFWFLSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087046448 347490405 /nfs/dbraw/zinc/49/04/05/347490405.db2.gz PPKSTWCJQSFXLE-QLFBSQMISA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087046441 347490558 /nfs/dbraw/zinc/49/05/58/347490558.db2.gz PPKSTWCJQSFXLE-KFWWJZLASA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087046446 347490799 /nfs/dbraw/zinc/49/07/99/347490799.db2.gz PPKSTWCJQSFXLE-RBSFLKMASA-N 2 0 282.472 2.636 20 0 CFADRP CN1CC(C[N@H+](C)Cc2ccc3ccccc3c2)C1 ZINC000668537434 539562553 /nfs/dbraw/zinc/56/25/53/539562553.db2.gz GDMIYOLDDNNLDF-UHFFFAOYSA-N 2 0 254.377 2.833 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cc[nH]c2)ccc1F ZINC000086254240 179255652 /nfs/dbraw/zinc/25/56/52/179255652.db2.gz SAJDARPLVWUEHV-UHFFFAOYSA-N 2 0 261.344 2.505 20 0 CFADRP CCCn1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000091012730 347565989 /nfs/dbraw/zinc/56/59/89/347565989.db2.gz BRYPGBOPGBSUPC-MRXNPFEDSA-N 2 0 263.429 2.718 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090456891 347549622 /nfs/dbraw/zinc/54/96/22/347549622.db2.gz UMKDRYKBKROLHB-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000092797076 347647514 /nfs/dbraw/zinc/64/75/14/347647514.db2.gz JKTZRBOFJAQDPH-CVEARBPZSA-N 2 0 282.472 2.591 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000094010076 347689774 /nfs/dbraw/zinc/68/97/74/347689774.db2.gz YPVVUEDORLGIMT-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519514 347695567 /nfs/dbraw/zinc/69/55/67/347695567.db2.gz KFVOZHAYAPUVSK-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP CCC1CCC([NH2+]CCOCC[NH+](CC)CC)CC1 ZINC000349672400 282552503 /nfs/dbraw/zinc/55/25/03/282552503.db2.gz XLQPUIVRGJDQNN-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000093210088 347665432 /nfs/dbraw/zinc/66/54/32/347665432.db2.gz REAVKIFURDFVRJ-KGLIPLIRSA-N 2 0 252.789 2.742 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093210234 347665512 /nfs/dbraw/zinc/66/55/12/347665512.db2.gz LJHNLBVAVXVAKE-ZWKOTPCHSA-N 3 0 289.467 2.888 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000093215159 347666235 /nfs/dbraw/zinc/66/62/35/347666235.db2.gz JYIDVJJOMZGQKR-STQMWFEESA-N 2 0 250.411 2.638 20 0 CFADRP CC(C)(C)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107572953 347736089 /nfs/dbraw/zinc/73/60/89/347736089.db2.gz AWRCOFDCVVKNER-GJZGRUSLSA-N 2 0 258.409 2.635 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(F)c2)CN1C1CC1 ZINC000128645135 187381383 /nfs/dbraw/zinc/38/13/83/187381383.db2.gz GKNOECUIKOQIBC-DOMZBBRYSA-N 2 0 262.372 2.583 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000563921294 290183749 /nfs/dbraw/zinc/18/37/49/290183749.db2.gz ZVHMVFYSNICTDE-ILXRZTDVSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000129161020 347858502 /nfs/dbraw/zinc/85/85/02/347858502.db2.gz CKWDUQBVSOTQGP-JKSUJKDBSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000129160792 347858751 /nfs/dbraw/zinc/85/87/51/347858751.db2.gz CKWDUQBVSOTQGP-HOTGVXAUSA-N 2 0 276.424 2.884 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000126703434 347836573 /nfs/dbraw/zinc/83/65/73/347836573.db2.gz MFSJICSBHNCAOI-GOEBONIOSA-N 2 0 276.424 2.643 20 0 CFADRP CC(C)(C)C1CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000134748156 347900832 /nfs/dbraw/zinc/90/08/32/347900832.db2.gz MJKQIHZMNKLOKP-LVDPKSTMSA-N 2 0 264.457 2.990 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc(Cl)c1F ZINC000136060668 347909189 /nfs/dbraw/zinc/90/91/89/347909189.db2.gz SDRYYGOKAORSQC-GXSJLCMTSA-N 2 0 256.752 2.791 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000124594621 539593807 /nfs/dbraw/zinc/59/38/07/539593807.db2.gz WNBFWFJYYHXPIA-UONOGXRCSA-N 2 0 294.414 2.913 20 0 CFADRP CCc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000225374165 348176722 /nfs/dbraw/zinc/17/67/22/348176722.db2.gz YURJQGKUYRDWIE-UHFFFAOYSA-N 2 0 252.427 2.790 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](COC)c2ccccc2)CC1 ZINC000233982492 348218584 /nfs/dbraw/zinc/21/85/84/348218584.db2.gz LLGOPBOQNYLYBZ-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000226683254 348184522 /nfs/dbraw/zinc/18/45/22/348184522.db2.gz LZUGMLJTADRTPA-NVXWUHKLSA-N 2 0 290.451 2.946 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000228620447 348196793 /nfs/dbraw/zinc/19/67/93/348196793.db2.gz BISLELTVOPSINI-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229644801 348202755 /nfs/dbraw/zinc/20/27/55/348202755.db2.gz LGRJRCJPYLNTAZ-CQSZACIVSA-N 2 0 257.381 2.599 20 0 CFADRP Cc1ncccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000237196139 348239354 /nfs/dbraw/zinc/23/93/54/348239354.db2.gz JVOGCORZAMOQEW-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246835365 348266713 /nfs/dbraw/zinc/26/67/13/348266713.db2.gz BWEIHMVRWBIAFD-KZNAEPCWSA-N 3 0 295.515 2.817 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000250319767 348286915 /nfs/dbraw/zinc/28/69/15/348286915.db2.gz MYJXYCNYVGATAM-BZUAXINKSA-N 2 0 280.456 2.512 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000250423940 348287657 /nfs/dbraw/zinc/28/76/57/348287657.db2.gz BYYKTJLIRRXDLQ-RYUDHWBXSA-N 2 0 252.427 2.870 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000251264793 348291346 /nfs/dbraw/zinc/29/13/46/348291346.db2.gz ALVRZTXSWGSFKY-ZNMIVQPWSA-N 2 0 256.434 2.558 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000564469395 290211233 /nfs/dbraw/zinc/21/12/33/290211233.db2.gz DNNYOKPGCQSKSJ-CHWSQXEVSA-N 2 0 270.779 2.881 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](CCO)c2ccccc2)CC1 ZINC000305118573 539641045 /nfs/dbraw/zinc/64/10/45/539641045.db2.gz ITZBEQNTWWWTEC-KRWDZBQOSA-N 2 0 290.451 2.617 20 0 CFADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000313376952 348422734 /nfs/dbraw/zinc/42/27/34/348422734.db2.gz DZBORBIXYNKPEG-HZPDHXFCSA-N 2 0 276.424 2.722 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)C1CC[NH+](C)CC1 ZINC000130668519 539643639 /nfs/dbraw/zinc/64/36/39/539643639.db2.gz PCCNKWNUSNCROX-MLGOLLRUSA-N 2 0 274.408 2.699 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccncc1Cl ZINC000387180830 348536888 /nfs/dbraw/zinc/53/68/88/348536888.db2.gz DKSBQMBRCRWXCE-UHFFFAOYSA-N 2 0 269.820 2.945 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000396458277 348557739 /nfs/dbraw/zinc/55/77/39/348557739.db2.gz OGTGGYLCGXDCKO-STQMWFEESA-N 2 0 291.395 2.976 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400050020 348570774 /nfs/dbraw/zinc/57/07/74/348570774.db2.gz BKAGAESGMHNFDJ-NVDSNGLKSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400995992 348576384 /nfs/dbraw/zinc/57/63/84/348576384.db2.gz KPEIZSNORUJRIY-FAAHXZRKSA-N 2 0 264.438 2.657 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)c(C)n1 ZINC000090668969 539655986 /nfs/dbraw/zinc/65/59/86/539655986.db2.gz JUYBUXZKKHCRPV-JEYLPNPQSA-N 2 0 290.455 2.864 20 0 CFADRP CC1(C)CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584767996 348713995 /nfs/dbraw/zinc/71/39/95/348713995.db2.gz OORFYIPFIDCWKZ-RRFJBIMHSA-N 2 0 250.430 2.933 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000584780675 348714652 /nfs/dbraw/zinc/71/46/52/348714652.db2.gz RLXAYHLJOLHPRU-UHFFFAOYSA-N 2 0 276.424 2.646 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000584829910 348720343 /nfs/dbraw/zinc/72/03/43/348720343.db2.gz BFFNVHMHLZWDBF-NVXWUHKLSA-N 2 0 288.435 2.702 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000091661413 539665149 /nfs/dbraw/zinc/66/51/49/539665149.db2.gz YRCYAOMKSFCRLM-INIZCTEOSA-N 2 0 273.424 2.781 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000079972474 539669582 /nfs/dbraw/zinc/66/95/82/539669582.db2.gz OJUGBTMMTSHNNP-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000397047243 539671373 /nfs/dbraw/zinc/67/13/73/539671373.db2.gz QBNFPYXARCWPLG-WDEREUQCSA-N 2 0 266.351 2.895 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)C[NH+](C)C ZINC000666139708 539683875 /nfs/dbraw/zinc/68/38/75/539683875.db2.gz ZBKPPSMIOTUMMK-OCCSQVGLSA-N 2 0 280.843 2.985 20 0 CFADRP CCCN1CC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000668682527 539692994 /nfs/dbraw/zinc/69/29/94/539692994.db2.gz JCHPDYKBHQJLNY-HNNXBMFYSA-N 2 0 266.816 2.956 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000414180329 233188945 /nfs/dbraw/zinc/18/89/45/233188945.db2.gz LWKOKBKICVXBOQ-KGLIPLIRSA-N 2 0 250.386 2.971 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(CO)c1 ZINC000414192140 233191899 /nfs/dbraw/zinc/19/18/99/233191899.db2.gz SVERWLILFMHNHB-HUUCEWRRSA-N 2 0 276.424 2.561 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000397969200 539728446 /nfs/dbraw/zinc/72/84/46/539728446.db2.gz LXUOMJHAEDEODX-JSGCOSHPSA-N 2 0 256.459 2.590 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000593321347 349247379 /nfs/dbraw/zinc/24/73/79/349247379.db2.gz IOLJIRHWJPHZCQ-LLVKDONJSA-N 2 0 296.436 2.575 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127948514 539731541 /nfs/dbraw/zinc/73/15/41/539731541.db2.gz XYFCGCPVLLHNQW-OWCLPIDISA-N 2 0 256.393 2.543 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(C)(C)C3CC3)C2)CC1 ZINC000593958640 349340229 /nfs/dbraw/zinc/34/02/29/349340229.db2.gz LPAJLICMXPTZEN-KRWDZBQOSA-N 2 0 293.499 2.525 20 0 CFADRP CS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000593653298 349305203 /nfs/dbraw/zinc/30/52/03/349305203.db2.gz BSXPSWLVHSPAOM-GBJTYRQASA-N 2 0 268.470 2.877 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668738830 539740278 /nfs/dbraw/zinc/74/02/78/539740278.db2.gz GRWVVLZNPMSNBV-RYRKJORJSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000128927274 539745885 /nfs/dbraw/zinc/74/58/85/539745885.db2.gz XKRODIDHHZDBNL-HNNXBMFYSA-N 2 0 298.434 2.692 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000091007112 180085382 /nfs/dbraw/zinc/08/53/82/180085382.db2.gz BBBVTPXRSYXIJJ-AWEZNQCLSA-N 2 0 251.418 2.625 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)C ZINC000090937322 180067995 /nfs/dbraw/zinc/06/79/95/180067995.db2.gz YUIOEAXFWZYQAA-OAHLLOKOSA-N 2 0 279.428 2.546 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937190 180068395 /nfs/dbraw/zinc/06/83/95/180068395.db2.gz KSWOQOPARQIJLX-ZIAGYGMSSA-N 2 0 279.428 2.546 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(Br)c1 ZINC000398180526 539762605 /nfs/dbraw/zinc/76/26/05/539762605.db2.gz KBMOIJOPAMADOE-SNVBAGLBSA-N 2 0 291.258 2.974 20 0 CFADRP COc1ccc([C@@H]([NH2+]CCC[NH+](C)C)C(C)C)cc1 ZINC000091262473 180116532 /nfs/dbraw/zinc/11/65/32/180116532.db2.gz BHKYAQHCFZHRSZ-INIZCTEOSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3nccs3)C2)CC[NH2+]1 ZINC000414688009 233326362 /nfs/dbraw/zinc/32/63/62/233326362.db2.gz COPDPYAXVJUDOS-RDBSUJKOSA-N 2 0 279.453 2.711 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414688050 233326733 /nfs/dbraw/zinc/32/67/33/233326733.db2.gz CVCTVDNYMSRLLL-BFYDXBDKSA-N 2 0 273.424 2.561 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2(c3nccs3)CCCC2)CC[NH2+]1 ZINC000414717037 233338046 /nfs/dbraw/zinc/33/80/46/233338046.db2.gz ZALZXDPZYTWGNX-QWHCGFSZSA-N 2 0 279.453 2.890 20 0 CFADRP CCOc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414748795 233342705 /nfs/dbraw/zinc/34/27/05/233342705.db2.gz VAFZZTFZQOMBSQ-CABCVRRESA-N 2 0 288.435 2.832 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)CC[NH2+]1 ZINC000414735857 233339762 /nfs/dbraw/zinc/33/97/62/233339762.db2.gz HHXBIFMAEVECOS-QWHCGFSZSA-N 2 0 278.444 2.527 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)CC[NH2+]1 ZINC000414735856 233340271 /nfs/dbraw/zinc/34/02/71/233340271.db2.gz HHXBIFMAEVECOS-OLZOCXBDSA-N 2 0 278.444 2.527 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414794434 233353783 /nfs/dbraw/zinc/35/37/83/233353783.db2.gz FQIYFRVNRNESAU-WCQMXNECSA-N 2 0 262.372 2.946 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414798427 233356907 /nfs/dbraw/zinc/35/69/07/233356907.db2.gz QLLPBFVRYXGFEH-WFASDCNBSA-N 2 0 258.365 2.958 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000414764923 233345049 /nfs/dbraw/zinc/34/50/49/233345049.db2.gz FFRKKIPPPYAJRH-XUWVNRHRSA-N 2 0 250.430 2.744 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777252 233347947 /nfs/dbraw/zinc/34/79/47/233347947.db2.gz HVOYVKMWEHUEIA-HOCLYGCPSA-N 2 0 276.399 2.956 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081626423 539776980 /nfs/dbraw/zinc/77/69/80/539776980.db2.gz NYLZZAWLCHIOHR-DLBZAZTESA-N 2 0 293.499 2.571 20 0 CFADRP Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414805946 233358857 /nfs/dbraw/zinc/35/88/57/233358857.db2.gz PZIKUAUYBJIWSS-SWLSCSKDSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414812582 233362408 /nfs/dbraw/zinc/36/24/08/233362408.db2.gz XMCKGEQJFKZABL-SWLSCSKDSA-N 2 0 294.826 2.882 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414817923 233364904 /nfs/dbraw/zinc/36/49/04/233364904.db2.gz CBAKDXIPZHLENB-NSHDSACASA-N 2 0 292.814 2.567 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414822222 233366133 /nfs/dbraw/zinc/36/61/33/233366133.db2.gz MVEXSOBCXRWWPZ-RYUDHWBXSA-N 2 0 252.427 2.666 20 0 CFADRP C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]C1 ZINC000414821213 233366300 /nfs/dbraw/zinc/36/63/00/233366300.db2.gz KZFOZSUWBRCCME-WMLDXEAASA-N 2 0 288.435 2.532 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414824402 233367487 /nfs/dbraw/zinc/36/74/87/233367487.db2.gz FNMBEGSXRWODMZ-ZDUSSCGKSA-N 2 0 258.365 2.830 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000414826696 233367662 /nfs/dbraw/zinc/36/76/62/233367662.db2.gz GAVRLADYKJXTGG-NUJGCVRESA-N 3 0 293.499 2.619 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414829069 233369394 /nfs/dbraw/zinc/36/93/94/233369394.db2.gz AJCOWORFCHWEFC-ZIAGYGMSSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](C[NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000414828231 233369628 /nfs/dbraw/zinc/36/96/28/233369628.db2.gz IMRKMUDATNISIK-OLZOCXBDSA-N 2 0 250.361 2.518 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000414831931 233370579 /nfs/dbraw/zinc/37/05/79/233370579.db2.gz QJYCDUWWEOFYBK-NUJGCVRESA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414834409 233371058 /nfs/dbraw/zinc/37/10/58/233371058.db2.gz QRIUBUKFYGKPBJ-GXTWGEPZSA-N 2 0 266.816 2.860 20 0 CFADRP CCOc1cccc(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000105454324 186057580 /nfs/dbraw/zinc/05/75/80/186057580.db2.gz OSNFZGPWWUIBLU-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)sc2C1 ZINC000414832575 233371394 /nfs/dbraw/zinc/37/13/94/233371394.db2.gz FFUCIORWUGFMKH-CHWSQXEVSA-N 2 0 293.480 2.747 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414836927 233372936 /nfs/dbraw/zinc/37/29/36/233372936.db2.gz JUCGUZVAPSZDOD-HNNXBMFYSA-N 2 0 288.435 2.955 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414876962 233387244 /nfs/dbraw/zinc/38/72/44/233387244.db2.gz MBIKSHYYMOKHDU-VIFPVBQESA-N 2 0 260.303 2.698 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882703 233388354 /nfs/dbraw/zinc/38/83/54/233388354.db2.gz CEWBVDKSORKRHV-YGRLFVJLSA-N 2 0 297.240 2.707 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414895573 233391668 /nfs/dbraw/zinc/39/16/68/233391668.db2.gz XWTHSESCYQTYMA-ULQDDVLXSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414898071 233392590 /nfs/dbraw/zinc/39/25/90/233392590.db2.gz FVOPWWYGTXNRRJ-HNNXBMFYSA-N 2 0 250.361 2.613 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414908471 233395678 /nfs/dbraw/zinc/39/56/78/233395678.db2.gz BKXIXJPBXJYAEV-JKSUJKDBSA-N 2 0 284.407 2.540 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000414911341 233397483 /nfs/dbraw/zinc/39/74/83/233397483.db2.gz DVSMBGBGAONZRD-CVEARBPZSA-N 2 0 274.408 2.835 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914846 233398552 /nfs/dbraw/zinc/39/85/52/233398552.db2.gz YLNRGEXGZLQNRX-UHFFFAOYSA-N 2 0 298.434 2.660 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000019843463 539786736 /nfs/dbraw/zinc/78/67/36/539786736.db2.gz GRNWQXKBWVZNBC-UHFFFAOYSA-N 2 0 288.313 2.756 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000414852621 233378192 /nfs/dbraw/zinc/37/81/92/233378192.db2.gz WDXKXICXMIBBFV-BBWFWOEESA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414855815 233379225 /nfs/dbraw/zinc/37/92/25/233379225.db2.gz NSSPVBYJVKUIPF-PWSUYJOCSA-N 2 0 270.779 2.957 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCCC(C)C)CC[NH2+]CC1 ZINC000414968983 233419487 /nfs/dbraw/zinc/41/94/87/233419487.db2.gz GGBBGWNFEXUGEW-HNNXBMFYSA-N 2 0 270.461 2.807 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009930 233435111 /nfs/dbraw/zinc/43/51/11/233435111.db2.gz OPJGAWDQYYAIEH-ISTRZQFTSA-N 2 0 276.399 2.734 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1C ZINC000415011100 233435208 /nfs/dbraw/zinc/43/52/08/233435208.db2.gz QDIMCRSHTIOSKR-DLBZAZTESA-N 2 0 258.409 2.781 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000415013619 233436273 /nfs/dbraw/zinc/43/62/73/233436273.db2.gz YOXGFYCPCLACTC-HZPDHXFCSA-N 2 0 276.424 2.953 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000598993365 350356884 /nfs/dbraw/zinc/35/68/84/350356884.db2.gz KYIVBHMXIQPMCF-OWCLPIDISA-N 2 0 296.455 2.572 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000414985843 233426680 /nfs/dbraw/zinc/42/66/80/233426680.db2.gz BPDWXGBIKNKKLL-TZMCWYRMSA-N 2 0 252.789 2.947 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599021957 350360404 /nfs/dbraw/zinc/36/04/04/350360404.db2.gz LUXUSQJIKLKOEH-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000415037461 233444336 /nfs/dbraw/zinc/44/43/36/233444336.db2.gz MKOQECIKCSJANI-STQMWFEESA-N 2 0 284.350 2.548 20 0 CFADRP C[C@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)Cc1cccs1 ZINC000415079474 233459498 /nfs/dbraw/zinc/45/94/98/233459498.db2.gz IAQIIZLJUYYGHB-GXTWGEPZSA-N 2 0 252.427 2.516 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000415084286 233460273 /nfs/dbraw/zinc/46/02/73/233460273.db2.gz GSMXJDZGQPVFEX-ZUEPYMLJSA-N 2 0 274.408 2.790 20 0 CFADRP CCc1noc(C2CCC([NH2+][C@H](C)CCCC[NH3+])CC2)n1 ZINC000415019872 233439771 /nfs/dbraw/zinc/43/97/71/233439771.db2.gz WURDLGRILYSPRB-IYXRBSQSSA-N 2 0 294.443 2.765 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000415029587 233441618 /nfs/dbraw/zinc/44/16/18/233441618.db2.gz DYMGNSXZQKYPLC-KOLCDFICSA-N 2 0 256.752 2.696 20 0 CFADRP Cc1csc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000415110064 233468196 /nfs/dbraw/zinc/46/81/96/233468196.db2.gz PYXXNVYVIDWIGD-UNXYVOJBSA-N 2 0 253.415 2.620 20 0 CFADRP COC(=O)CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360172 350423192 /nfs/dbraw/zinc/42/31/92/350423192.db2.gz SPOMWRVEDKAVOW-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP COc1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381275 180371423 /nfs/dbraw/zinc/37/14/23/180371423.db2.gz ANXQLNXITRXPSV-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000107956909 186200638 /nfs/dbraw/zinc/20/06/38/186200638.db2.gz UBTAKWCHRYESCU-NSHDSACASA-N 2 0 252.789 2.899 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784488 539802914 /nfs/dbraw/zinc/80/29/14/539802914.db2.gz DKDKQWBTYPWZKM-HOCLYGCPSA-N 2 0 296.480 2.722 20 0 CFADRP C[C@@H](c1ccncc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000600636271 350588715 /nfs/dbraw/zinc/58/87/15/350588715.db2.gz WQXXKWZCQMKDAJ-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000600705822 350598347 /nfs/dbraw/zinc/59/83/47/350598347.db2.gz AZZCWWITQAQHCT-JXQTWKCFSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110643963 186308584 /nfs/dbraw/zinc/30/85/84/186308584.db2.gz NCDNHQBVBDGDFQ-NWDGAFQWSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000110644473 186308837 /nfs/dbraw/zinc/30/88/37/186308837.db2.gz LTLFKAGKOCAZAG-LLVKDONJSA-N 2 0 284.350 2.847 20 0 CFADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110649955 186309598 /nfs/dbraw/zinc/30/95/98/186309598.db2.gz GWSXVTZLORXKSV-NSHDSACASA-N 2 0 282.815 2.908 20 0 CFADRP COC1CC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309656583 539805411 /nfs/dbraw/zinc/80/54/11/539805411.db2.gz JRGWSXAJIKWAKA-WWDZGPRUSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)s1 ZINC000607729324 351357067 /nfs/dbraw/zinc/35/70/67/351357067.db2.gz PNSMMTAIRFWEIM-ZDUSSCGKSA-N 2 0 276.409 2.794 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000608563590 351450312 /nfs/dbraw/zinc/45/03/12/351450312.db2.gz LZDILAMYFCNVNG-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)o1 ZINC000119900869 186860730 /nfs/dbraw/zinc/86/07/30/186860730.db2.gz NAQXVDMHAWHNKB-UHFFFAOYSA-N 2 0 250.386 2.798 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000611366654 351675246 /nfs/dbraw/zinc/67/52/46/351675246.db2.gz FYUFSTXARFHLNP-LSDHHAIUSA-N 2 0 298.471 2.818 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000291659125 198053756 /nfs/dbraw/zinc/05/37/56/198053756.db2.gz DTTRYTXMCSXBEP-CQSZACIVSA-N 2 0 264.413 2.761 20 0 CFADRP FC(F)(F)C1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414825220 303112230 /nfs/dbraw/zinc/11/22/30/303112230.db2.gz BZVFBJGVGYZUBY-VOMCLLRMSA-N 2 0 264.335 2.697 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000122827983 187054261 /nfs/dbraw/zinc/05/42/61/187054261.db2.gz MGDAGDPFCSBNOQ-CQSZACIVSA-N 2 0 276.424 2.787 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000123278696 187082280 /nfs/dbraw/zinc/08/22/80/187082280.db2.gz SHMQFRAEBPKLII-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819938 539825803 /nfs/dbraw/zinc/82/58/03/539825803.db2.gz QYIFMAVVHTZXFH-VVLHAWIVSA-N 2 0 262.441 2.887 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](COC)C(C)C)c1 ZINC000123974764 187116765 /nfs/dbraw/zinc/11/67/65/187116765.db2.gz VBKOWRZWWJMEJG-KRWDZBQOSA-N 2 0 278.440 2.899 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000132006360 187602091 /nfs/dbraw/zinc/60/20/91/187602091.db2.gz RIZLOONUJWKKNW-NEPJUHHUSA-N 2 0 252.789 2.990 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000271523619 191190988 /nfs/dbraw/zinc/19/09/88/191190988.db2.gz VGVOLBVUNIBGPX-WFASDCNBSA-N 2 0 282.378 2.827 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000093442978 539901125 /nfs/dbraw/zinc/90/11/25/539901125.db2.gz IPOPKHRDSQJBGX-IAGOWNOFSA-N 2 0 288.435 2.859 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000093660998 539904441 /nfs/dbraw/zinc/90/44/41/539904441.db2.gz GRSNTQMENKZDKR-CALCHBBNSA-N 2 0 288.435 2.715 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292136777 198176679 /nfs/dbraw/zinc/17/66/79/198176679.db2.gz LXGSVEZLLIXBPO-QGZVFWFLSA-N 2 0 292.398 2.622 20 0 CFADRP c1ccc(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889415 539954901 /nfs/dbraw/zinc/95/49/01/539954901.db2.gz VZMIFNSZDKPWEV-QGZVFWFLSA-N 2 0 258.409 2.551 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC1(F)F ZINC000666444683 539966874 /nfs/dbraw/zinc/96/68/74/539966874.db2.gz JLEBGACVZOIJHN-SWLSCSKDSA-N 2 0 298.377 2.760 20 0 CFADRP CN(Cc1cc(-c2ccco2)on1)C[C@H]1CCC[N@H+](C)C1 ZINC000152503720 188024116 /nfs/dbraw/zinc/02/41/16/188024116.db2.gz GIEIQEOOVZPXOP-ZDUSSCGKSA-N 2 0 289.379 2.708 20 0 CFADRP COCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152698383 188037009 /nfs/dbraw/zinc/03/70/09/188037009.db2.gz YLWOOKYCKHBWLK-HUUCEWRRSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000423166728 295855224 /nfs/dbraw/zinc/85/52/24/295855224.db2.gz WAQJEWKZVYTRQZ-DZGCQCFKSA-N 2 0 261.413 2.675 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000423037382 295855247 /nfs/dbraw/zinc/85/52/47/295855247.db2.gz BHXGMQAQJNMFIE-FZMZJTMJSA-N 2 0 266.360 2.756 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000152939530 188054401 /nfs/dbraw/zinc/05/44/01/188054401.db2.gz MPMGEJFIFNHJBM-CVEARBPZSA-N 2 0 276.424 2.836 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCn1ccnc1)CCS2 ZINC000155629821 188217271 /nfs/dbraw/zinc/21/72/71/188217271.db2.gz FUWKHBONQICIHW-CYBMUJFWSA-N 2 0 277.368 2.849 20 0 CFADRP Cc1cccc(NC[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000156921357 188287772 /nfs/dbraw/zinc/28/77/72/188287772.db2.gz QFEAFLUFGMNSSW-KRWDZBQOSA-N 2 0 297.402 2.703 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000157362811 188312370 /nfs/dbraw/zinc/31/23/70/188312370.db2.gz ORSMINZXLGVLBO-OAHLLOKOSA-N 2 0 288.439 2.991 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]CC2(C)CCC2)c1 ZINC000434769948 540001358 /nfs/dbraw/zinc/00/13/58/540001358.db2.gz XSWRIRUMCRDIEY-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000621781632 353424142 /nfs/dbraw/zinc/42/41/42/353424142.db2.gz HBMXNFZSFLNEPK-KCXAZCMYSA-N 2 0 260.356 2.626 20 0 CFADRP CN(C)[C@H](C[NH2+]CC1(C)CCC1)Cc1ccccc1 ZINC000434786647 540001890 /nfs/dbraw/zinc/00/18/90/540001890.db2.gz SULVJPHSYPMNKG-INIZCTEOSA-N 2 0 260.425 2.939 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000292675864 198371409 /nfs/dbraw/zinc/37/14/09/198371409.db2.gz ZUFSWYHSHYDNNT-INIZCTEOSA-N 2 0 272.436 2.949 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000622043560 353468638 /nfs/dbraw/zinc/46/86/38/353468638.db2.gz DKJCXZQTSWUIAL-IGQOVBAYSA-N 2 0 272.383 2.932 20 0 CFADRP C/C(=C\c1ccccc1)C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087780 353585605 /nfs/dbraw/zinc/58/56/05/353585605.db2.gz HZGRNLXKQAPSEF-BMRADRMJSA-N 2 0 289.467 2.563 20 0 CFADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623349858 353621505 /nfs/dbraw/zinc/62/15/05/353621505.db2.gz OURNPEAWDBRIGR-OAHLLOKOSA-N 2 0 275.440 2.585 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000623356240 353622717 /nfs/dbraw/zinc/62/27/17/353622717.db2.gz FPVMUYRWVJBZAU-CYBMUJFWSA-N 2 0 294.826 2.923 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623353473 353622746 /nfs/dbraw/zinc/62/27/46/353622746.db2.gz MXPCDIMSGJORRX-HOTGVXAUSA-N 2 0 281.488 2.569 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623358594 353624909 /nfs/dbraw/zinc/62/49/09/353624909.db2.gz HUINXRRZPSXDES-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623372940 353628216 /nfs/dbraw/zinc/62/82/16/353628216.db2.gz MHQXWHSAEYNFCE-JKSUJKDBSA-N 3 0 295.515 2.959 20 0 CFADRP C[C@@H]1CCC[C@@](CN[C@H]2CC[N@H+](C)C(C)(C)C2)([NH+](C)C)C1 ZINC000623371829 353628442 /nfs/dbraw/zinc/62/84/42/353628442.db2.gz VADNSSSKSPHHEP-SOLBZPMBSA-N 2 0 295.515 2.959 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623402832 353635694 /nfs/dbraw/zinc/63/56/94/353635694.db2.gz BOGDSCDYCMQBOI-INIZCTEOSA-N 3 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3O)CC1(C)C ZINC000623405560 353635858 /nfs/dbraw/zinc/63/58/58/353635858.db2.gz NYEGTPDCZKLPHZ-DOMZBBRYSA-N 2 0 274.408 2.842 20 0 CFADRP Cc1noc(C)c1[C@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623419194 353638852 /nfs/dbraw/zinc/63/88/52/353638852.db2.gz ZHKYRNWIJUFCFS-GWCFXTLKSA-N 2 0 265.401 2.815 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)CC1(C)C ZINC000623419279 353639546 /nfs/dbraw/zinc/63/95/46/353639546.db2.gz BLDKMNZZAXXBPX-MRXNPFEDSA-N 2 0 288.435 2.626 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426641 353640442 /nfs/dbraw/zinc/64/04/42/353640442.db2.gz ULMCIMGALKAVJX-AWEZNQCLSA-N 2 0 270.461 2.780 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428347 353641589 /nfs/dbraw/zinc/64/15/89/353641589.db2.gz HSJRNWWSKGGRIO-GOEBONIOSA-N 2 0 270.461 2.636 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623437655 353644413 /nfs/dbraw/zinc/64/44/13/353644413.db2.gz RXWPNQWWZXPFJP-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623437615 353644482 /nfs/dbraw/zinc/64/44/82/353644482.db2.gz PRRIKJRIQDVIQD-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623469033 353650702 /nfs/dbraw/zinc/65/07/02/353650702.db2.gz NJYGVFQVQGRYRJ-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623338376 353618138 /nfs/dbraw/zinc/61/81/38/353618138.db2.gz XOZVTOPAKXAIBD-OAHLLOKOSA-N 2 0 276.424 2.700 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000623338918 353618310 /nfs/dbraw/zinc/61/83/10/353618310.db2.gz AQQFABAKBKLBKT-OAHLLOKOSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)CC1(C)C ZINC000623343300 353619529 /nfs/dbraw/zinc/61/95/29/353619529.db2.gz LKIFQHLKGZDZKI-HNNXBMFYSA-N 2 0 264.388 2.831 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC1(C)C ZINC000623494389 353656637 /nfs/dbraw/zinc/65/66/37/353656637.db2.gz OSUUPCXDYOFULT-UXLLHSPISA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccnn1C ZINC000623504330 353658985 /nfs/dbraw/zinc/65/89/85/353658985.db2.gz JONNUSVFRJZNGR-LSDHHAIUSA-N 2 0 292.471 2.622 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC1(C)C ZINC000623512634 353661083 /nfs/dbraw/zinc/66/10/83/353661083.db2.gz OZMYKSQCTOLFRA-VXGBXAGGSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC1(C)C ZINC000623517059 353662104 /nfs/dbraw/zinc/66/21/04/353662104.db2.gz PMAPDSYSRINTQW-OAHLLOKOSA-N 2 0 286.423 2.568 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)CC1(C)C ZINC000623525557 353663512 /nfs/dbraw/zinc/66/35/12/353663512.db2.gz RKPCSEVGLSDVNT-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623528740 353665148 /nfs/dbraw/zinc/66/51/48/353665148.db2.gz AHQUXPPKYKXORG-GJZGRUSLSA-N 2 0 269.477 2.569 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623548788 353669623 /nfs/dbraw/zinc/66/96/23/353669623.db2.gz BXGWEPWTXQDAOU-UAGQMJEPSA-N 2 0 288.435 2.761 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cnc(C3CC3)s2)C1 ZINC000623656263 353696547 /nfs/dbraw/zinc/69/65/47/353696547.db2.gz QLTAMQACGMDKQG-GFCCVEGCSA-N 2 0 279.453 2.842 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623553232 353670477 /nfs/dbraw/zinc/67/04/77/353670477.db2.gz LOKLBPHWUNQBMK-UHFFFAOYSA-N 2 0 272.396 2.525 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)CC2CCCCC2)CC1(C)C ZINC000623552746 353670495 /nfs/dbraw/zinc/67/04/95/353670495.db2.gz UQFFOXLIXYEHHP-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC1(C)C ZINC000623561083 353672213 /nfs/dbraw/zinc/67/22/13/353672213.db2.gz AJSWYSZCEBLLTG-IHRRRGAJSA-N 2 0 268.445 2.795 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCCO1 ZINC000623561651 353672975 /nfs/dbraw/zinc/67/29/75/353672975.db2.gz UHGGUOUBOHWSPO-KKUMJFAQSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000623607505 353684035 /nfs/dbraw/zinc/68/40/35/353684035.db2.gz HXZLGLWQKGQSST-PMPSAXMXSA-N 2 0 286.419 2.515 20 0 CFADRP C[C@H](CC[NH2+]Cc1cccc2n[nH]cc21)[NH+]1CCCCC1 ZINC000623490490 353656244 /nfs/dbraw/zinc/65/62/44/353656244.db2.gz MHCWKKFHCCZBJT-CQSZACIVSA-N 2 0 286.423 2.917 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cs1 ZINC000623656981 353698486 /nfs/dbraw/zinc/69/84/86/353698486.db2.gz HEJSGUYSMJFBKK-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP CCC1(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCOCC1 ZINC000623656775 353698632 /nfs/dbraw/zinc/69/86/32/353698632.db2.gz BLIRPACKDLFADM-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000623657417 353698641 /nfs/dbraw/zinc/69/86/41/353698641.db2.gz QEMGHPQDWANEHZ-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675763409 540008666 /nfs/dbraw/zinc/00/86/66/540008666.db2.gz NBNZMNJDBYXCQW-ZIAGYGMSSA-N 2 0 294.414 2.913 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000623887764 353750050 /nfs/dbraw/zinc/75/00/50/353750050.db2.gz MQNUIZFIHKIFSN-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000623923042 353759877 /nfs/dbraw/zinc/75/98/77/353759877.db2.gz RFLVXNRVYNBBSD-SLTXQBBLSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(C)ccc1C ZINC000623968062 353771537 /nfs/dbraw/zinc/77/15/37/353771537.db2.gz RWIFMAWZBWPDML-QGZVFWFLSA-N 2 0 278.440 2.922 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000623989901 353777179 /nfs/dbraw/zinc/77/71/79/353777179.db2.gz LWCCZFLLNHSDBH-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)CCC1 ZINC000624077915 353799737 /nfs/dbraw/zinc/79/97/37/353799737.db2.gz HMOMVJDTOGITFE-GOEBONIOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000624100732 353805781 /nfs/dbraw/zinc/80/57/81/353805781.db2.gz ALDUWTCEWZQLGL-BPQIPLTHSA-N 2 0 293.499 2.713 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121557 353811009 /nfs/dbraw/zinc/81/10/09/353811009.db2.gz YAYLEJAOYMNXFT-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C[C@H]1OC ZINC000624122364 353812307 /nfs/dbraw/zinc/81/23/07/353812307.db2.gz PGLQKGNCZFIJKM-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000624124027 353813167 /nfs/dbraw/zinc/81/31/67/353813167.db2.gz VRIBZVMDNSWSBD-FPCVCCKLSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000624123123 353813201 /nfs/dbraw/zinc/81/32/01/353813201.db2.gz GCOGHMJQTDGVLG-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCCC1 ZINC000624124205 353813294 /nfs/dbraw/zinc/81/32/94/353813294.db2.gz ZTXZIZYESWGPSP-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624227687 353841494 /nfs/dbraw/zinc/84/14/94/353841494.db2.gz XSGQEVHRUFCTQV-RHSMWYFYSA-N 2 0 276.424 2.527 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC23CC3)[C@@H](C)C1 ZINC000624313362 353860330 /nfs/dbraw/zinc/86/03/30/353860330.db2.gz KZYSSMNUJVJKST-ZNMIVQPWSA-N 2 0 250.430 2.887 20 0 CFADRP CCO[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC000625215082 353997199 /nfs/dbraw/zinc/99/71/99/353997199.db2.gz ZQYLUEOGZRJSSW-NUEKZKHPSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000625453514 354050876 /nfs/dbraw/zinc/05/08/76/354050876.db2.gz NVPICZPYAMXOHY-ZBFHGGJFSA-N 2 0 258.409 2.897 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cc(C)ccc1C ZINC000626020352 354172400 /nfs/dbraw/zinc/17/24/00/354172400.db2.gz HVRRJODWMUSTAN-WBVHZDCISA-N 2 0 278.440 2.657 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423545802 283006791 /nfs/dbraw/zinc/00/67/91/283006791.db2.gz PITNYKFPQBUAMN-IARIHHJXSA-N 2 0 274.383 2.791 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163376325 188605822 /nfs/dbraw/zinc/60/58/22/188605822.db2.gz MWCSSXRUTGXWGZ-AAEUAGOBSA-N 2 0 284.350 2.705 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335632526 283013455 /nfs/dbraw/zinc/01/34/55/283013455.db2.gz GSQXXXMPCVRNKT-LSDHHAIUSA-N 2 0 262.372 2.647 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@]1(C)CCCS1 ZINC000628140143 354444337 /nfs/dbraw/zinc/44/43/37/354444337.db2.gz BGHBOTXSTLBFAV-KBPBESRZSA-N 2 0 256.459 2.546 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000628165880 354455754 /nfs/dbraw/zinc/45/57/54/354455754.db2.gz PYFNFAPZYBQEJG-ZACQAIPSSA-N 2 0 296.499 2.980 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000628165877 354456158 /nfs/dbraw/zinc/45/61/58/354456158.db2.gz PYFNFAPZYBQEJG-BBWFWOEESA-N 2 0 296.499 2.980 20 0 CFADRP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335519471 283024789 /nfs/dbraw/zinc/02/47/89/283024789.db2.gz PWFXPWWWBBPRKK-RISCZKNCSA-N 2 0 280.412 2.952 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628229619 354488692 /nfs/dbraw/zinc/48/86/92/354488692.db2.gz AXAQWASXJLEKKC-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000628425906 354585906 /nfs/dbraw/zinc/58/59/06/354585906.db2.gz YVNACVUAUSEATO-GOEBONIOSA-N 2 0 276.424 2.645 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000629390325 354800171 /nfs/dbraw/zinc/80/01/71/354800171.db2.gz OCYMGNSGGOXQJZ-XOYOTBSWSA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389494 354800279 /nfs/dbraw/zinc/80/02/79/354800279.db2.gz YUMPXBHIMJPTOH-GJZGRUSLSA-N 2 0 268.445 2.689 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629528839 354833080 /nfs/dbraw/zinc/83/30/80/354833080.db2.gz KTLUQXXBEUPDBC-JTQLQIEISA-N 2 0 291.222 2.880 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000629406852 354803932 /nfs/dbraw/zinc/80/39/32/354803932.db2.gz ZHFGERFIGBTMRU-ZBFHGGJFSA-N 2 0 296.842 2.802 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C1CCC1)C1CCC1 ZINC000629510942 354823729 /nfs/dbraw/zinc/82/37/29/354823729.db2.gz YFQOGMZWPLKBAK-HNNXBMFYSA-N 2 0 268.445 2.546 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCC1(C)C ZINC000629511724 354823897 /nfs/dbraw/zinc/82/38/97/354823897.db2.gz QGCVAJNEERCIEC-UONOGXRCSA-N 2 0 256.434 2.546 20 0 CFADRP CC(C)c1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521716 354827836 /nfs/dbraw/zinc/82/78/36/354827836.db2.gz RVNBOEAZTNOOKY-AWEZNQCLSA-N 2 0 276.424 2.969 20 0 CFADRP CC1(C)C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522381 354828516 /nfs/dbraw/zinc/82/85/16/354828516.db2.gz YQGZXHGECSBDDU-HNNXBMFYSA-N 2 0 274.408 2.507 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629522360 354828681 /nfs/dbraw/zinc/82/86/81/354828681.db2.gz YCEKQIYLHFGQIC-MRXNPFEDSA-N 2 0 276.424 2.798 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629524638 354829646 /nfs/dbraw/zinc/82/96/46/354829646.db2.gz RSEAROKFUJNUAW-AWEZNQCLSA-N 2 0 282.815 2.889 20 0 CFADRP CCCc1ccc([C@@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629528860 354832843 /nfs/dbraw/zinc/83/28/43/354832843.db2.gz LIEZYFOINFNSGD-CQSZACIVSA-N 2 0 264.413 2.526 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000629654925 354879501 /nfs/dbraw/zinc/87/95/01/354879501.db2.gz UKSCCCXHZXFAKI-UHFFFAOYSA-N 2 0 288.391 2.614 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CC2=Cc3ccccc3OC2)C[C@H]1C[NH3+] ZINC000629648467 354875299 /nfs/dbraw/zinc/87/52/99/354875299.db2.gz OJMLBAWSAAJHGJ-JKIFEVAISA-N 2 0 286.419 2.768 20 0 CFADRP COCc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)o1 ZINC000629648131 354875527 /nfs/dbraw/zinc/87/55/27/354875527.db2.gz PGFXIEANVVYOSC-GFCCVEGCSA-N 2 0 274.364 2.736 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CC2=Cc3ccccc3OC2)C[C@@H]1C[NH3+] ZINC000629648466 354875555 /nfs/dbraw/zinc/87/55/55/354875555.db2.gz OJMLBAWSAAJHGJ-CPUCHLNUSA-N 2 0 286.419 2.768 20 0 CFADRP COC1(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCCC1 ZINC000629649999 354876423 /nfs/dbraw/zinc/87/64/23/354876423.db2.gz NNJQGMOBTSFFHS-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP c1ccc(OCCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000629651686 354877579 /nfs/dbraw/zinc/87/75/79/354877579.db2.gz YWTHMTCYZRJFAZ-INIZCTEOSA-N 2 0 274.408 2.720 20 0 CFADRP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629533065 354834643 /nfs/dbraw/zinc/83/46/43/354834643.db2.gz FVKQTMXYCMFMIR-CHWSQXEVSA-N 2 0 294.826 2.867 20 0 CFADRP Cc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532419 354834835 /nfs/dbraw/zinc/83/48/35/354834835.db2.gz ZWEZLXWMJCMGPT-IAGOWNOFSA-N 2 0 273.424 2.602 20 0 CFADRP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629535648 354835982 /nfs/dbraw/zinc/83/59/82/354835982.db2.gz CZDKHXMHDBKIBL-LSDHHAIUSA-N 2 0 256.434 2.546 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000629537794 354836684 /nfs/dbraw/zinc/83/66/84/354836684.db2.gz KTHWBAAQKVEPBI-OAHLLOKOSA-N 2 0 282.815 2.672 20 0 CFADRP [NH3+]CCCOCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000629539144 354837655 /nfs/dbraw/zinc/83/76/55/354837655.db2.gz PVGDBHDCUFZGMS-UHFFFAOYSA-N 2 0 282.387 2.711 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539435 354837739 /nfs/dbraw/zinc/83/77/39/354837739.db2.gz RFPKVDKADOWMBY-HUUCEWRRSA-N 2 0 256.434 2.546 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C(C)C)cc1 ZINC000629547892 354843956 /nfs/dbraw/zinc/84/39/56/354843956.db2.gz LLYSCTLCDKWVLD-USXIJHARSA-N 2 0 260.425 2.902 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000629550652 354844527 /nfs/dbraw/zinc/84/45/27/354844527.db2.gz OVTJZRYLXMNNKV-QWRGUYRKSA-N 2 0 264.335 2.969 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000629550650 354844837 /nfs/dbraw/zinc/84/48/37/354844837.db2.gz OVTJZRYLXMNNKV-GHMZBOCLSA-N 2 0 264.335 2.969 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629549304 354845016 /nfs/dbraw/zinc/84/50/16/354845016.db2.gz GYMNVHVVBMWDOU-HTQZYQBOSA-N 2 0 266.332 2.982 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629549571 354845047 /nfs/dbraw/zinc/84/50/47/354845047.db2.gz SGDOMKBIPSKKKX-XHSDSOJGSA-N 2 0 280.456 2.783 20 0 CFADRP C[C@@H](N[C@@H]1CC[NH2+]C1)[C@@H](C)c1nc2ccccc2s1 ZINC000629553204 354845644 /nfs/dbraw/zinc/84/56/44/354845644.db2.gz AOGNABLHXDYHDP-IJLUTSLNSA-N 2 0 275.421 2.740 20 0 CFADRP Cc1nc(C(C)C)ccc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000629552558 354845738 /nfs/dbraw/zinc/84/57/38/354845738.db2.gz MJIONHKHHYCWMP-DOTOQJQBSA-N 2 0 273.424 2.827 20 0 CFADRP FC1(F)CCC[N@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000629558195 354846811 /nfs/dbraw/zinc/84/68/11/354846811.db2.gz DDMLEOVFXJAUHC-UHFFFAOYSA-N 2 0 260.372 2.887 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629565950 354849346 /nfs/dbraw/zinc/84/93/46/354849346.db2.gz XKLCGXOCESGNIP-VXGBXAGGSA-N 2 0 264.335 2.636 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000629570309 354849445 /nfs/dbraw/zinc/84/94/45/354849445.db2.gz CACIUDLUESJBLP-GFCCVEGCSA-N 2 0 270.804 2.569 20 0 CFADRP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCOCC[NH2+]C ZINC000629571553 354849460 /nfs/dbraw/zinc/84/94/60/354849460.db2.gz OEDCQSZFSSVODS-HNNXBMFYSA-N 2 0 284.831 2.959 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCc1ccsc1)C2 ZINC000629593147 354854096 /nfs/dbraw/zinc/85/40/96/354854096.db2.gz GBBNLQMNGUVCDF-GASCZTMLSA-N 2 0 264.438 2.612 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629663937 354883633 /nfs/dbraw/zinc/88/36/33/354883633.db2.gz HNAPMRCHECTYIY-QXSJWSMHSA-N 2 0 250.430 2.744 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1F ZINC000629673090 354886039 /nfs/dbraw/zinc/88/60/39/354886039.db2.gz VZEPDPVMYBQZKA-YOEHRIQHSA-N 2 0 292.398 2.623 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000629672235 354886102 /nfs/dbraw/zinc/88/61/02/354886102.db2.gz OYYKYHQFFKWDFG-GOEBONIOSA-N 2 0 262.397 2.576 20 0 CFADRP COc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cn1 ZINC000629693779 354896793 /nfs/dbraw/zinc/89/67/93/354896793.db2.gz BAYQOBHNYRECLS-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP C[NH+](C)Cc1cc(-c2ccc([C@@H]([NH3+])CO)cc2)ccc1F ZINC000629738510 354916490 /nfs/dbraw/zinc/91/64/90/354916490.db2.gz NHAQQFCZZGAYQD-KRWDZBQOSA-N 2 0 288.366 2.546 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1F ZINC000629737371 354916772 /nfs/dbraw/zinc/91/67/72/354916772.db2.gz GRWJEDFJCMBIDZ-MRVPVSSYSA-N 2 0 277.368 2.615 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](CC(F)F)CC2CCC2)CC[NH2+]1 ZINC000414739265 291055092 /nfs/dbraw/zinc/05/50/92/291055092.db2.gz CBIDMNMGTOWNQD-AAEUAGOBSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000222930317 540102843 /nfs/dbraw/zinc/10/28/43/540102843.db2.gz VVFGQMDNJQEIHS-MVWJERBFSA-N 2 0 254.324 2.885 20 0 CFADRP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CSC2)c1 ZINC000679624725 540098792 /nfs/dbraw/zinc/09/87/92/540098792.db2.gz HMFUJOPAZCDTRV-UHFFFAOYSA-N 2 0 276.449 2.878 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(OC)c1 ZINC000271818934 191346441 /nfs/dbraw/zinc/34/64/41/191346441.db2.gz CBBGALGFILVPEJ-CYBMUJFWSA-N 2 0 290.407 2.616 20 0 CFADRP COc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1SC ZINC000271821147 191348405 /nfs/dbraw/zinc/34/84/05/191348405.db2.gz MXOHHQYUQVPBRF-UHFFFAOYSA-N 2 0 292.448 2.769 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000290600917 540124982 /nfs/dbraw/zinc/12/49/82/540124982.db2.gz VWJWSSZUHVZRBV-SJORKVTESA-N 2 0 288.435 2.920 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000271897534 191396500 /nfs/dbraw/zinc/39/65/00/191396500.db2.gz USUHRGDLAFVIDA-NSHDSACASA-N 2 0 266.335 2.877 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)CCO2 ZINC000271848706 191366743 /nfs/dbraw/zinc/36/67/43/191366743.db2.gz IIXMLOKRPYXKTH-CYBMUJFWSA-N 2 0 272.392 2.534 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)CCO2 ZINC000271852787 191368875 /nfs/dbraw/zinc/36/88/75/191368875.db2.gz IVPDBTLQDSQJGH-QGZVFWFLSA-N 2 0 286.419 2.924 20 0 CFADRP COCCc1ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)s1 ZINC000631150944 355316870 /nfs/dbraw/zinc/31/68/70/355316870.db2.gz JMDGMNUEPFQCHL-UHFFFAOYSA-N 2 0 299.484 2.542 20 0 CFADRP c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n(CC2CCC2)n1 ZINC000631156707 355319885 /nfs/dbraw/zinc/31/98/85/355319885.db2.gz AOXKAKXYSNAUDE-UHFFFAOYSA-N 2 0 295.390 2.621 20 0 CFADRP C1CC([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCCO2)C1 ZINC000631254179 355376135 /nfs/dbraw/zinc/37/61/35/355376135.db2.gz KFECRDLKWQNSDU-VQHPVUNQSA-N 2 0 278.440 2.551 20 0 CFADRP c1cn(CCCCNc2nc(C3CC3)nc3[nH]ccc32)cn1 ZINC000631191217 355340692 /nfs/dbraw/zinc/34/06/92/355340692.db2.gz DRCZXUQXHYPFQQ-UHFFFAOYSA-N 2 0 296.378 2.876 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccnc1 ZINC000631196905 355344190 /nfs/dbraw/zinc/34/41/90/355344190.db2.gz WKXZINAGKPEXSO-LPHOPBHVSA-N 2 0 295.430 2.939 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(F)CC1 ZINC000631196808 355344388 /nfs/dbraw/zinc/34/43/88/355344388.db2.gz VKKJPRWFUFXXRK-GDBMZVCRSA-N 2 0 276.399 2.846 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1(F)CC1 ZINC000631196812 355344586 /nfs/dbraw/zinc/34/45/86/355344586.db2.gz VKKJPRWFUFXXRK-ZBFHGGJFSA-N 2 0 276.399 2.846 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229091101 540148760 /nfs/dbraw/zinc/14/87/60/540148760.db2.gz IXXWHUUZIIMPLB-CVEARBPZSA-N 2 0 276.424 2.599 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631571652 355494009 /nfs/dbraw/zinc/49/40/09/355494009.db2.gz HHIABLDXFHXRCV-WMLDXEAASA-N 2 0 273.424 2.781 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000631565525 355490010 /nfs/dbraw/zinc/49/00/10/355490010.db2.gz GEXHFULFCXECGZ-FZKQIMNGSA-N 2 0 286.419 2.756 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000631654090 355534804 /nfs/dbraw/zinc/53/48/04/355534804.db2.gz UDBJMXOVRPFRSM-OLMNPRSZSA-N 2 0 288.435 2.837 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663487 355536517 /nfs/dbraw/zinc/53/65/17/355536517.db2.gz JHMBGERWESPWLG-XYJFISCASA-N 2 0 290.451 2.769 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cn[nH]c1 ZINC000631666027 355537732 /nfs/dbraw/zinc/53/77/32/355537732.db2.gz ZHCCCKMPZKGVQF-VKJFTORMSA-N 2 0 298.434 2.828 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000631667866 355540150 /nfs/dbraw/zinc/54/01/50/355540150.db2.gz SRHGUZSQRVRMMX-DJIMGWMZSA-N 2 0 290.476 2.850 20 0 CFADRP C(CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)CC[NH+]1CCCC1 ZINC000631634687 355524481 /nfs/dbraw/zinc/52/44/81/355524481.db2.gz LYWQUOJOSBIAOU-ULQDDVLXSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000631811003 355593071 /nfs/dbraw/zinc/59/30/71/355593071.db2.gz LDPHHHRJJALKSA-DDBAPUKQSA-N 2 0 294.483 2.923 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000229191516 540173983 /nfs/dbraw/zinc/17/39/83/540173983.db2.gz VCDHZOBSKGMIRG-GJZGRUSLSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837203 355599955 /nfs/dbraw/zinc/59/99/55/355599955.db2.gz ONMUUIGKTNQTDH-NTZNESFSSA-N 2 0 252.789 2.928 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000631838008 355601819 /nfs/dbraw/zinc/60/18/19/355601819.db2.gz YNQUYYZYXLOQFB-FVQBIDKESA-N 2 0 258.409 2.633 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873767 355611052 /nfs/dbraw/zinc/61/10/52/355611052.db2.gz VWOYGFFGLVTXCT-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP FC(F)Oc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886880 355613644 /nfs/dbraw/zinc/61/36/44/355613644.db2.gz KKRCWMALQOGAEG-DZGCQCFKSA-N 2 0 296.361 2.862 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1 ZINC000631731140 355568201 /nfs/dbraw/zinc/56/82/01/355568201.db2.gz HYKAXGUWCJQVHU-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888773 355614384 /nfs/dbraw/zinc/61/43/84/355614384.db2.gz ATURFIKTQDTYEN-NVXWUHKLSA-N 2 0 281.403 2.809 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229281372 540177815 /nfs/dbraw/zinc/17/78/15/540177815.db2.gz HKRFTHKWFJHUDM-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP CC[NH+](CC)CCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083433193 540180015 /nfs/dbraw/zinc/18/00/15/540180015.db2.gz QBUQERRTTSCLOX-UHFFFAOYSA-N 2 0 259.397 2.989 20 0 CFADRP Fc1ccc(SCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890674 355617260 /nfs/dbraw/zinc/61/72/60/355617260.db2.gz RSHIKDMVEQBDGX-BBRMVZONSA-N 2 0 294.439 2.992 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@@H]21 ZINC000230131329 540200286 /nfs/dbraw/zinc/20/02/86/540200286.db2.gz MAWQZUPJUDCKHH-UHOFOFEASA-N 2 0 294.439 2.977 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000375861255 283135474 /nfs/dbraw/zinc/13/54/74/283135474.db2.gz MNDITOMXCCGBFK-SRVKXCTJSA-N 2 0 264.335 2.791 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000353592856 283135643 /nfs/dbraw/zinc/13/56/43/283135643.db2.gz KRPVUYYCUTZTHW-IXDOHACOSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353626198 283141685 /nfs/dbraw/zinc/14/16/85/283141685.db2.gz XUJUSJLXGAMFRW-QZWWFDLISA-N 2 0 292.467 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353626172 283141838 /nfs/dbraw/zinc/14/18/38/283141838.db2.gz XOQZXIAPAUGPAE-UGUYLWEFSA-N 2 0 278.440 2.551 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCC2)O1 ZINC000299987803 540230518 /nfs/dbraw/zinc/23/05/18/540230518.db2.gz JMAHHYPVLJGRAU-BZUAXINKSA-N 2 0 278.440 2.695 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000567639101 290480508 /nfs/dbraw/zinc/48/05/08/290480508.db2.gz VYGVDJANYVVXQZ-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000336124971 283170345 /nfs/dbraw/zinc/17/03/45/283170345.db2.gz WGRRXSOYNPPEQQ-KGLIPLIRSA-N 2 0 272.383 2.840 20 0 CFADRP CCC[N@H+](CC)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261569643 283173465 /nfs/dbraw/zinc/17/34/65/283173465.db2.gz NFOOHGLECVZTPI-HZPDHXFCSA-N 2 0 269.477 2.619 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc2cccnc12 ZINC000334847453 540253911 /nfs/dbraw/zinc/25/39/11/540253911.db2.gz MSQHEHJLHPJZQN-HZPDHXFCSA-N 2 0 269.392 2.903 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000430968631 290503717 /nfs/dbraw/zinc/50/37/17/290503717.db2.gz XIVBDXPLWYOSAG-GJZGRUSLSA-N 2 0 250.430 2.888 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000372010372 283211809 /nfs/dbraw/zinc/21/18/09/283211809.db2.gz NZECXXWZDIYJRV-IKGGRYGDSA-N 2 0 256.393 2.631 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)sc1C ZINC000339065976 540282368 /nfs/dbraw/zinc/28/23/68/540282368.db2.gz CYVNGDOCOBGNSY-KBPBESRZSA-N 2 0 279.453 2.519 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068171 540282741 /nfs/dbraw/zinc/28/27/41/540282741.db2.gz POHVBGUBOUAPAH-IRXDYDNUSA-N 2 0 288.435 2.844 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067009 540282939 /nfs/dbraw/zinc/28/29/39/540282939.db2.gz HRWVNGFZUNRANL-IRXDYDNUSA-N 2 0 288.435 2.980 20 0 CFADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)COC1CCCC1 ZINC000339069583 540284028 /nfs/dbraw/zinc/28/40/28/540284028.db2.gz XTKADLPCAOJCSD-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1CCCCC1 ZINC000233899127 540305511 /nfs/dbraw/zinc/30/55/11/540305511.db2.gz BOOGTQYOSLZBAL-HUUCEWRRSA-N 2 0 256.434 2.689 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000294461081 199048364 /nfs/dbraw/zinc/04/83/64/199048364.db2.gz WGDOOCLSHGUQMR-XJKSGUPXSA-N 2 0 292.423 2.712 20 0 CFADRP c1cc2cnccc2c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250203344 540335593 /nfs/dbraw/zinc/33/55/93/540335593.db2.gz SHUSPUWRYLGSDP-IRXDYDNUSA-N 2 0 281.403 2.951 20 0 CFADRP CCN(CC)C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000340520804 540338134 /nfs/dbraw/zinc/33/81/34/540338134.db2.gz YIHJIZHTYFGZQE-ZJIFWQFVSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000414219329 283320932 /nfs/dbraw/zinc/32/09/32/283320932.db2.gz AWJTYXGMRQRTGM-BBRMVZONSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000051669120 540368858 /nfs/dbraw/zinc/36/88/58/540368858.db2.gz ISVXPDKQVDLFKH-HNNXBMFYSA-N 2 0 260.425 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294702878 199142281 /nfs/dbraw/zinc/14/22/81/199142281.db2.gz DBPCCHCRTLJQEA-JQHSSLGASA-N 2 0 290.451 2.564 20 0 CFADRP Cc1[nH+]c2ccccc2c(NCC2([NH+](C)C)CC2)c1C ZINC000419003365 236424182 /nfs/dbraw/zinc/42/41/82/236424182.db2.gz CUJHXHSJFXBBPO-UHFFFAOYSA-N 2 0 269.392 2.780 20 0 CFADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420363145 236628021 /nfs/dbraw/zinc/62/80/21/236628021.db2.gz BFQAUWRKBTYPCL-RKVPGOIHSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000420370017 236631432 /nfs/dbraw/zinc/63/14/32/236631432.db2.gz JINKCOVBWILDFS-RYUDHWBXSA-N 2 0 252.789 2.990 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000333285140 283413435 /nfs/dbraw/zinc/41/34/35/283413435.db2.gz NDZZFAIKKVVWRL-GPANFISMSA-N 2 0 259.397 2.782 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2c(C)noc2C)CC1 ZINC000152064602 540433074 /nfs/dbraw/zinc/43/30/74/540433074.db2.gz CZRGPRAXEIQBIY-GFCCVEGCSA-N 2 0 279.428 2.686 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000415109384 283426319 /nfs/dbraw/zinc/42/63/19/283426319.db2.gz RDIUJQUWHAXHPW-STCOUPBVSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000678586777 540460677 /nfs/dbraw/zinc/46/06/77/540460677.db2.gz DOFYIFGZIFRZND-VKJFTORMSA-N 2 0 272.436 2.864 20 0 CFADRP CCCOc1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000296803325 200001971 /nfs/dbraw/zinc/00/19/71/200001971.db2.gz HQNRCSXEUNCWCS-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562468 237107326 /nfs/dbraw/zinc/10/73/26/237107326.db2.gz QFLPXTXSBJJDKA-OAHLLOKOSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2N(C)C)C[C@@H]1C[NH3+] ZINC000422634173 237115274 /nfs/dbraw/zinc/11/52/74/237115274.db2.gz JJNIVOMHNSVLOB-FMKPAKJESA-N 2 0 275.440 2.558 20 0 CFADRP CC(C)C([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000669692029 540502589 /nfs/dbraw/zinc/50/25/89/540502589.db2.gz DNOSQIOHEJNDOH-UHFFFAOYSA-N 2 0 283.504 2.673 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422731862 237144568 /nfs/dbraw/zinc/14/45/68/237144568.db2.gz MSPFUTZHQULNAU-OAHLLOKOSA-N 2 0 298.858 2.961 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C)cc1 ZINC000422703425 237122045 /nfs/dbraw/zinc/12/20/45/237122045.db2.gz HRQZQMYNTBVBOO-INIZCTEOSA-N 2 0 278.440 2.616 20 0 CFADRP C[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422706433 237126420 /nfs/dbraw/zinc/12/64/20/237126420.db2.gz DZKQFZHIRGPQFE-XKQJLSEDSA-N 2 0 293.430 2.549 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000422709328 237128148 /nfs/dbraw/zinc/12/81/48/237128148.db2.gz YWSRZXWCZMXTTM-HOCLYGCPSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1ccccc1Cl)C1C[NH2+]C1 ZINC000422711522 237128548 /nfs/dbraw/zinc/12/85/48/237128548.db2.gz MTGUJZUJJNHVMN-NSHDSACASA-N 2 0 266.816 2.815 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422717561 237135107 /nfs/dbraw/zinc/13/51/07/237135107.db2.gz WDKFGPAUDLDPOF-BHYGNILZSA-N 2 0 293.430 2.536 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)oc1C ZINC000669698472 540514201 /nfs/dbraw/zinc/51/42/01/540514201.db2.gz VLKVMMHOWIXASW-AWEZNQCLSA-N 2 0 293.455 2.573 20 0 CFADRP c1ccc(SCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422773163 237187993 /nfs/dbraw/zinc/18/79/93/237187993.db2.gz TVTBZALPPKSLDD-PBWFPOADSA-N 2 0 262.422 2.651 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773012 237189238 /nfs/dbraw/zinc/18/92/38/237189238.db2.gz XSWBALKBIYPPFM-FZMZJTMJSA-N 2 0 284.350 2.766 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422773720 237191056 /nfs/dbraw/zinc/19/10/56/237191056.db2.gz UTBYUMQRMBPHOB-CRAIPNDOSA-N 2 0 298.434 2.706 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422748714 237163283 /nfs/dbraw/zinc/16/32/83/237163283.db2.gz VUBUCWQICUDLAE-DLBZAZTESA-N 3 0 284.407 2.622 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774918 237191347 /nfs/dbraw/zinc/19/13/47/237191347.db2.gz YXYHHFKRKPGOJJ-KGLIPLIRSA-N 2 0 264.800 2.841 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422754463 237169393 /nfs/dbraw/zinc/16/93/93/237169393.db2.gz FXHJHPSYHUCYNP-WBMJQRKESA-N 2 0 289.398 2.957 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250185725 540529075 /nfs/dbraw/zinc/52/90/75/540529075.db2.gz ZCCYWFUMSHVLQE-QZTJIDSGSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422758238 237171686 /nfs/dbraw/zinc/17/16/86/237171686.db2.gz NRYZNNDAEGHXJO-APWZRJJASA-N 2 0 298.430 2.922 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422758242 237172787 /nfs/dbraw/zinc/17/27/87/237172787.db2.gz NRYZNNDAEGHXJO-QFBILLFUSA-N 2 0 298.430 2.922 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422758243 237174060 /nfs/dbraw/zinc/17/40/60/237174060.db2.gz NRYZNNDAEGHXJO-VQIMIIECSA-N 2 0 298.430 2.922 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422761471 237176604 /nfs/dbraw/zinc/17/66/04/237176604.db2.gz MRWFZBNEGANXHZ-ABAIWWIYSA-N 2 0 275.371 2.567 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422763525 237179872 /nfs/dbraw/zinc/17/98/72/237179872.db2.gz OUEXXWFCKSIROW-VDHUWJSZSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797913 237222130 /nfs/dbraw/zinc/22/21/30/237222130.db2.gz PBNMFISKUGTBGJ-NXEZZACHSA-N 2 0 276.302 2.801 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422796906 237222141 /nfs/dbraw/zinc/22/21/41/237222141.db2.gz ZJDXIDOWDAUZDC-OAGGEKHMSA-N 2 0 276.424 2.869 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](CCO)CC(C)C ZINC000422803171 237227105 /nfs/dbraw/zinc/22/71/05/237227105.db2.gz FRKNJEPOAMAGQL-DZGCQCFKSA-N 2 0 293.455 2.544 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccc(F)c1 ZINC000422777962 237194667 /nfs/dbraw/zinc/19/46/67/237194667.db2.gz DDGNBPWSFZRNAI-KSSFIOAISA-N 2 0 286.394 2.916 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422778766 237199077 /nfs/dbraw/zinc/19/90/77/237199077.db2.gz DZJDWGPWKBHEEZ-BPLDGKMQSA-N 2 0 282.815 2.745 20 0 CFADRP CC(C)[N@@H+]1CCCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000296966502 200048359 /nfs/dbraw/zinc/04/83/59/200048359.db2.gz CXGWAHXRWSIBSR-UHFFFAOYSA-N 2 0 289.467 2.535 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000422793226 237214411 /nfs/dbraw/zinc/21/44/11/237214411.db2.gz WRTGUKMWQJGBHS-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(F)cc1 ZINC000422793370 237216446 /nfs/dbraw/zinc/21/64/46/237216446.db2.gz SALBKKVMJCDLHQ-XJKCOSOUSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422792190 237216520 /nfs/dbraw/zinc/21/65/20/237216520.db2.gz VRXMQHBSCRGBLQ-CWRNSKLLSA-N 2 0 262.397 2.624 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000422816173 237243300 /nfs/dbraw/zinc/24/33/00/237243300.db2.gz ZHIDZUHORLITLY-RRFJBIMHSA-N 2 0 270.461 2.948 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc21 ZINC000422818573 237245426 /nfs/dbraw/zinc/24/54/26/237245426.db2.gz KUANOUZGRAZPIE-IRXDYDNUSA-N 2 0 292.386 2.611 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000422818024 237245730 /nfs/dbraw/zinc/24/57/30/237245730.db2.gz JHJDQNQJXHYCHL-KGLIPLIRSA-N 2 0 284.350 2.593 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422820880 237249134 /nfs/dbraw/zinc/24/91/34/237249134.db2.gz STPIJFFTEXRMOZ-JTQLQIEISA-N 2 0 290.436 2.507 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252879706 540569325 /nfs/dbraw/zinc/56/93/25/540569325.db2.gz XYVXGSVGJKFZDW-SZMVWBNQSA-N 2 0 288.435 2.741 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000422807678 237234991 /nfs/dbraw/zinc/23/49/91/237234991.db2.gz PAYDUFZTBIEZSK-SNVBAGLBSA-N 2 0 291.345 2.978 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccsc1 ZINC000422810119 237235675 /nfs/dbraw/zinc/23/56/75/237235675.db2.gz SSSDQLZMDSXWRI-QLFBSQMISA-N 2 0 281.469 2.600 20 0 CFADRP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422811946 237236717 /nfs/dbraw/zinc/23/67/17/237236717.db2.gz VLRCZXMTCNXMLD-MAUKXSAKSA-N 2 0 287.451 2.513 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000422814550 237239373 /nfs/dbraw/zinc/23/93/73/237239373.db2.gz VJDVQBVKOXSEGH-SJORKVTESA-N 2 0 276.424 2.790 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422812686 237239554 /nfs/dbraw/zinc/23/95/54/237239554.db2.gz YFVFOZZGJQENIH-QZTJIDSGSA-N 2 0 298.434 2.681 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccn(-c3ccccc3)n2)CC1 ZINC000422856666 237277736 /nfs/dbraw/zinc/27/77/36/237277736.db2.gz FQPVMGBQOWZBKM-UHFFFAOYSA-N 2 0 298.434 2.522 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000669846505 540590958 /nfs/dbraw/zinc/59/09/58/540590958.db2.gz KVDYTGXKBZWART-JKSUJKDBSA-N 2 0 299.478 2.520 20 0 CFADRP FC(F)c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954681 540597228 /nfs/dbraw/zinc/59/72/28/540597228.db2.gz ZBLVCVCYDJVBID-ZDUSSCGKSA-N 2 0 266.335 2.856 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422876025 237295548 /nfs/dbraw/zinc/29/55/48/237295548.db2.gz FVDANMXPQXQMDL-ZACQAIPSSA-N 3 0 283.504 2.852 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422840985 237265014 /nfs/dbraw/zinc/26/50/14/237265014.db2.gz CLTPRNMRBGMJLG-BBRMVZONSA-N 2 0 271.408 2.749 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422839902 237265445 /nfs/dbraw/zinc/26/54/45/237265445.db2.gz AQCXWUWWSRHMEF-LSDHHAIUSA-N 2 0 262.372 2.717 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422843499 237266997 /nfs/dbraw/zinc/26/69/97/237266997.db2.gz INLVBWSMJUFJLS-CABCVRRESA-N 2 0 268.351 2.757 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000422841685 237268768 /nfs/dbraw/zinc/26/87/68/237268768.db2.gz WOMZMNUGMPWQGH-IGCXYCKISA-N 2 0 294.414 2.793 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856425 540587981 /nfs/dbraw/zinc/58/79/81/540587981.db2.gz HQQKEZQBJUXBKN-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422849275 237273013 /nfs/dbraw/zinc/27/30/13/237273013.db2.gz BTBNSGDBXRGZDT-LSDHHAIUSA-N 2 0 294.439 2.626 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993794 540603788 /nfs/dbraw/zinc/60/37/88/540603788.db2.gz KBJPZXPQKGLKCV-INIZCTEOSA-N 2 0 273.424 2.587 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422913253 237337528 /nfs/dbraw/zinc/33/75/28/237337528.db2.gz XZSYJYUBPJFIEO-KBPBESRZSA-N 2 0 262.422 2.781 20 0 CFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1F ZINC000422898537 237318557 /nfs/dbraw/zinc/31/85/57/237318557.db2.gz FIGUNKJNJYJGHA-RYUDHWBXSA-N 2 0 290.386 2.535 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000422897828 237320321 /nfs/dbraw/zinc/32/03/21/237320321.db2.gz CZHBHUAPUOFFCJ-CQDKDKBSSA-N 2 0 290.432 2.743 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902024 237322969 /nfs/dbraw/zinc/32/29/69/237322969.db2.gz MHXSKLUGJMWFDD-JKSUJKDBSA-N 3 0 289.467 2.614 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422909448 237331219 /nfs/dbraw/zinc/33/12/19/237331219.db2.gz FZIATMXEFRYOGK-DLBZAZTESA-N 2 0 258.409 2.739 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422909400 237332210 /nfs/dbraw/zinc/33/22/10/237332210.db2.gz FUPHUTVWEVDCSP-CZUORRHYSA-N 2 0 274.408 2.835 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000422921842 237354286 /nfs/dbraw/zinc/35/42/86/237354286.db2.gz PEAKMPRGOSFJJO-QJPTWQEYSA-N 2 0 270.804 2.823 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422922670 237354960 /nfs/dbraw/zinc/35/49/60/237354960.db2.gz QMWLEZMJSYQXBY-YVSFHVDLSA-N 2 0 258.409 2.725 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422923595 237358387 /nfs/dbraw/zinc/35/83/87/237358387.db2.gz WSNOVDAGHPDNMG-COPLHBTASA-N 2 0 270.804 2.743 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000422926097 237358417 /nfs/dbraw/zinc/35/84/17/237358417.db2.gz WFGVIQUWMIXWMD-MNAZLIDISA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422935146 237362007 /nfs/dbraw/zinc/36/20/07/237362007.db2.gz DAKLFHRPDNYYGM-KBPBESRZSA-N 2 0 295.814 2.528 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422934322 237363267 /nfs/dbraw/zinc/36/32/67/237363267.db2.gz CLDKYTZVNYYBSV-SWLSCSKDSA-N 2 0 282.815 2.697 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o2)cs1 ZINC000422942530 237371846 /nfs/dbraw/zinc/37/18/46/237371846.db2.gz KPIAXZXNGWTILX-ZJUUUORDSA-N 2 0 279.409 2.927 20 0 CFADRP Cc1cccc(NCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000422919350 237349983 /nfs/dbraw/zinc/34/99/83/237349983.db2.gz JQCGGSGOTUPIAV-JKSUJKDBSA-N 2 0 290.455 2.702 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422949090 237378600 /nfs/dbraw/zinc/37/86/00/237378600.db2.gz SRXVLVHYMCLCGY-NVXWUHKLSA-N 2 0 284.403 2.936 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422951539 237381932 /nfs/dbraw/zinc/38/19/32/237381932.db2.gz YZDFKSPAKVHIHO-HNNXBMFYSA-N 2 0 264.413 2.789 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422951521 237384494 /nfs/dbraw/zinc/38/44/94/237384494.db2.gz YWGOEPPLQLIAAT-OAHLLOKOSA-N 2 0 264.413 2.789 20 0 CFADRP COc1cccc(C2([NH2+]C3CCC(C[NH3+])CC3)CC2)c1 ZINC000422956791 237387693 /nfs/dbraw/zinc/38/76/93/237387693.db2.gz LZBTXEJQPDNWMG-UHFFFAOYSA-N 2 0 274.408 2.791 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422995894 237424164 /nfs/dbraw/zinc/42/41/64/237424164.db2.gz ZUXINNBWUXFJSC-RDJZCZTQSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000089150618 283479387 /nfs/dbraw/zinc/47/93/87/283479387.db2.gz YKFYSRMGJKGVDE-AAEUAGOBSA-N 2 0 272.314 2.922 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000423087403 237512919 /nfs/dbraw/zinc/51/29/19/237512919.db2.gz POCRAUTXHHDIOO-QMMMGPOBSA-N 2 0 278.293 2.850 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000297645012 200250732 /nfs/dbraw/zinc/25/07/32/200250732.db2.gz XQKOGZQOOTWYEB-UKRRQHHQSA-N 2 0 275.421 2.954 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC000403701163 540673500 /nfs/dbraw/zinc/67/35/00/540673500.db2.gz CJPWGFZTIHTLMZ-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOCc2ccccc2)[C@@H]1CC[NH3+] ZINC000404298892 540677361 /nfs/dbraw/zinc/67/73/61/540677361.db2.gz FFSFPHNHDUOKFX-NVXWUHKLSA-N 2 0 276.424 2.653 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000297762969 200277029 /nfs/dbraw/zinc/27/70/29/200277029.db2.gz OVSMFFQOWNVFPD-GDBMZVCRSA-N 2 0 296.480 2.944 20 0 CFADRP FC1(F)CC12CC[NH+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000405127516 540688133 /nfs/dbraw/zinc/68/81/33/540688133.db2.gz ZNBBWMDXQKONKD-UHFFFAOYSA-N 2 0 292.373 2.954 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000435870759 240363070 /nfs/dbraw/zinc/36/30/70/240363070.db2.gz HASKABGIFHTLJI-OAHLLOKOSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000422815031 299306930 /nfs/dbraw/zinc/30/69/30/299306930.db2.gz AOAKNXWATTXSJQ-CYDGBPFRSA-N 2 0 278.362 2.943 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000161978278 540701856 /nfs/dbraw/zinc/70/18/56/540701856.db2.gz SMKGWYUXDOQKMH-INIZCTEOSA-N 2 0 288.435 2.874 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000162069415 540702559 /nfs/dbraw/zinc/70/25/59/540702559.db2.gz SROOTLUVLGPXLT-HUUCEWRRSA-N 2 0 274.408 2.756 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000382334206 540703419 /nfs/dbraw/zinc/70/34/19/540703419.db2.gz VSNLEDJAPAYKDA-IRXDYDNUSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1COc2ccccc21 ZINC000415086228 299309670 /nfs/dbraw/zinc/30/96/70/299309670.db2.gz RUCYEFMXXOYYRZ-CTASWTNQSA-N 2 0 274.408 2.529 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350047933 283551911 /nfs/dbraw/zinc/55/19/11/283551911.db2.gz GWACSQNYMKAQSF-CQSZACIVSA-N 2 0 297.487 2.579 20 0 CFADRP COC[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177980235 189083001 /nfs/dbraw/zinc/08/30/01/189083001.db2.gz PHJGXENASWRQKO-AWEZNQCLSA-N 2 0 264.413 2.651 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000435874563 240363426 /nfs/dbraw/zinc/36/34/26/240363426.db2.gz LLEHRCNPUGBJCZ-DOMZBBRYSA-N 2 0 250.361 2.818 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000178457860 189118210 /nfs/dbraw/zinc/11/82/10/189118210.db2.gz BJBCQNGHXMWKIR-WTTBNOFXSA-N 2 0 276.424 2.692 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([C@@H](C)O)cc2)[C@H](C)C1 ZINC000178547473 189125967 /nfs/dbraw/zinc/12/59/67/189125967.db2.gz DWOJDRAEZMUYEE-CKEIUWERSA-N 2 0 276.424 2.560 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000178594476 189129836 /nfs/dbraw/zinc/12/98/36/189129836.db2.gz FPFHVQGZQHRYSZ-DVOMOZLQSA-N 2 0 294.414 2.695 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000435879223 240363816 /nfs/dbraw/zinc/36/38/16/240363816.db2.gz BMDSGOQLFULWEI-INIZCTEOSA-N 2 0 266.404 2.934 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000423391710 283584133 /nfs/dbraw/zinc/58/41/33/283584133.db2.gz POXLFLULJJZCGX-BFVZDQMLSA-N 2 0 266.335 2.812 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)C1C[NH2+]C1 ZINC000423096965 238199387 /nfs/dbraw/zinc/19/93/87/238199387.db2.gz QDXGRVMRKJEACB-NORZTCDRSA-N 2 0 262.372 2.659 20 0 CFADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423122389 238212716 /nfs/dbraw/zinc/21/27/16/238212716.db2.gz KNZKHGUHUBXJCV-PQEBFOHHSA-N 2 0 286.419 2.673 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423120620 238213653 /nfs/dbraw/zinc/21/36/53/238213653.db2.gz HIKGKFCYKRZEGF-WBVHZDCISA-N 2 0 292.467 2.987 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414907783 540830578 /nfs/dbraw/zinc/83/05/78/540830578.db2.gz BAQHPRUGZQYZEO-QWHCGFSZSA-N 2 0 284.350 2.690 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000414930540 540830922 /nfs/dbraw/zinc/83/09/22/540830922.db2.gz SUMQMXQNWIYKJR-QWHCGFSZSA-N 2 0 288.420 2.565 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000414930539 540831333 /nfs/dbraw/zinc/83/13/33/540831333.db2.gz SUMQMXQNWIYKJR-OLZOCXBDSA-N 2 0 288.420 2.565 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414930039 540831436 /nfs/dbraw/zinc/83/14/36/540831436.db2.gz SFQNQNPLXQODTI-NWDGAFQWSA-N 2 0 268.788 2.708 20 0 CFADRP Cc1cc(CCN[C@@H](C)[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423125586 238218031 /nfs/dbraw/zinc/21/80/31/238218031.db2.gz AGMDFOZTXVXRKN-SWLSCSKDSA-N 2 0 266.816 2.921 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000414936651 540832035 /nfs/dbraw/zinc/83/20/35/540832035.db2.gz ZJGAPJUVKBOWSQ-QWHCGFSZSA-N 2 0 256.752 2.839 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc2ccccc2s1 ZINC000423129127 238220262 /nfs/dbraw/zinc/22/02/62/238220262.db2.gz DSCXWQORWCPFOA-CQSZACIVSA-N 2 0 292.448 2.787 20 0 CFADRP Cc1nc(-c2ccc(CC[NH2+]CCC[NH3+])s2)cs1 ZINC000415085740 540834158 /nfs/dbraw/zinc/83/41/58/540834158.db2.gz ISCMIUXINYNLRA-UHFFFAOYSA-N 2 0 281.450 2.661 20 0 CFADRP [NH3+]CCC[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000415078547 540834223 /nfs/dbraw/zinc/83/42/23/540834223.db2.gz IWDLWQISLNLQPM-UHFFFAOYSA-N 2 0 252.789 2.700 20 0 CFADRP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423111853 238205588 /nfs/dbraw/zinc/20/55/88/238205588.db2.gz WUBMTADXFVFSHV-UHOFOFEASA-N 2 0 295.858 2.673 20 0 CFADRP C[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)[C@H]1CCC[NH2+]1 ZINC000423110704 238205907 /nfs/dbraw/zinc/20/59/07/238205907.db2.gz IJHRPEWHQHLTLD-BLLLJJGKSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000423118482 238211448 /nfs/dbraw/zinc/21/14/48/238211448.db2.gz ATFPGFXVZSSJKY-NFEZDNKESA-N 2 0 299.462 2.522 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423138764 238226269 /nfs/dbraw/zinc/22/62/69/238226269.db2.gz TZOXKIABGCPWJB-KGLIPLIRSA-N 2 0 260.406 2.913 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000063166094 540842909 /nfs/dbraw/zinc/84/29/09/540842909.db2.gz BKAAJTKPTPSRQV-UHFFFAOYSA-N 2 0 276.424 2.614 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)c2ccccc21 ZINC000423143702 238227990 /nfs/dbraw/zinc/22/79/90/238227990.db2.gz DUYPAJXGTNDCCT-DLBZAZTESA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H](c1ccncc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198021 540843889 /nfs/dbraw/zinc/84/38/89/540843889.db2.gz BMSHRNVVSGDCSG-CZUORRHYSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000423143989 238231104 /nfs/dbraw/zinc/23/11/04/238231104.db2.gz FVXQBVLGGPXRQV-GVXVVHGQSA-N 2 0 264.800 2.784 20 0 CFADRP C[C@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)C ZINC000670268466 540849278 /nfs/dbraw/zinc/84/92/78/540849278.db2.gz IPPIXWGJPHBHDX-CQSZACIVSA-N 2 0 293.455 2.794 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC000423181956 238258874 /nfs/dbraw/zinc/25/88/74/238258874.db2.gz KAACVCFGYMOUKJ-QGZVFWFLSA-N 2 0 258.409 2.658 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158366 238241573 /nfs/dbraw/zinc/24/15/73/238241573.db2.gz WOBDSSUIYJBZLB-UWVGGRQHSA-N 2 0 274.767 2.573 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423166437 238248985 /nfs/dbraw/zinc/24/89/85/238248985.db2.gz ZFKIGPDVJKBJSN-LXZKKBNFSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423168686 238249495 /nfs/dbraw/zinc/24/94/95/238249495.db2.gz HVOSAXFHVXOORR-LSDHHAIUSA-N 2 0 263.429 2.900 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c2ccccc12 ZINC000423169295 238250789 /nfs/dbraw/zinc/25/07/89/238250789.db2.gz IXCOVNCXASZAAJ-ZOCIIQOWSA-N 2 0 298.430 2.990 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc12 ZINC000423170488 238251174 /nfs/dbraw/zinc/25/11/74/238251174.db2.gz MEWKFDOXSBAMCO-OKZBNKHCSA-N 3 0 298.434 2.735 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423225204 238289186 /nfs/dbraw/zinc/28/91/86/238289186.db2.gz LSPYTJZCOLNKHK-UWVGGRQHSA-N 2 0 276.302 2.973 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000306774366 540886289 /nfs/dbraw/zinc/88/62/89/540886289.db2.gz VPFHJLJNSIJFDV-BRWVUGGUSA-N 2 0 274.408 2.547 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423229180 238293422 /nfs/dbraw/zinc/29/34/22/238293422.db2.gz GQKNDXCVWAVPNU-YUMQZZPRSA-N 2 0 277.231 2.899 20 0 CFADRP c1ccc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000166332987 540888426 /nfs/dbraw/zinc/88/84/26/540888426.db2.gz OSIROHOUQGZFCS-HUUCEWRRSA-N 2 0 298.434 2.712 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC000423239027 238299574 /nfs/dbraw/zinc/29/95/74/238299574.db2.gz RNPNJNIDNDMGMB-SJORKVTESA-N 2 0 258.409 2.658 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423211320 238281504 /nfs/dbraw/zinc/28/15/04/238281504.db2.gz KXNGJDRHXUNXNJ-LRDDRELGSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423220085 238285301 /nfs/dbraw/zinc/28/53/01/238285301.db2.gz XWTBGFVTLFIQHY-WDEREUQCSA-N 2 0 254.324 2.615 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423223305 238287612 /nfs/dbraw/zinc/28/76/12/238287612.db2.gz FVCKSNJOHXGINU-STQMWFEESA-N 2 0 272.396 2.569 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423238357 238300537 /nfs/dbraw/zinc/30/05/37/238300537.db2.gz ABCIDZVBEVPXPW-KSSFIOAISA-N 2 0 288.435 2.606 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC000423239024 238300911 /nfs/dbraw/zinc/30/09/11/238300911.db2.gz RNPNJNIDNDMGMB-IAGOWNOFSA-N 2 0 258.409 2.658 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1OC ZINC000423245742 238304120 /nfs/dbraw/zinc/30/41/20/238304120.db2.gz JIDOQMBHRSNJBU-KGLIPLIRSA-N 2 0 292.423 2.662 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423248287 238305718 /nfs/dbraw/zinc/30/57/18/238305718.db2.gz MVQUVXPPAKAXPH-MAUKXSAKSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423247625 238306398 /nfs/dbraw/zinc/30/63/98/238306398.db2.gz LMORAGNEFPZLNJ-KBPBESRZSA-N 2 0 276.428 2.648 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1F ZINC000423255343 238312193 /nfs/dbraw/zinc/31/21/93/238312193.db2.gz BSNLQXZWLDBFFT-QWHCGFSZSA-N 2 0 280.387 2.875 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423257609 238314284 /nfs/dbraw/zinc/31/42/84/238314284.db2.gz KIHBIUZVVSYUQH-PBHICJAKSA-N 2 0 290.476 2.996 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ncc[nH]1 ZINC000353522401 540913161 /nfs/dbraw/zinc/91/31/61/540913161.db2.gz UOJXDKMYTLIAFK-CQSZACIVSA-N 2 0 264.417 2.717 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000252855554 540932972 /nfs/dbraw/zinc/93/29/72/540932972.db2.gz KIBDRBDVQYEMQN-HRCADAONSA-N 2 0 274.408 2.563 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H]2C[C@H](OCC)C23CCCC3)C1 ZINC000389200361 540936309 /nfs/dbraw/zinc/93/63/09/540936309.db2.gz ABYRWYYSBZGVMD-JYJNAYRXSA-N 2 0 280.456 2.798 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCCC3)C1 ZINC000389200362 540936479 /nfs/dbraw/zinc/93/64/79/540936479.db2.gz ABYRWYYSBZGVMD-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423272996 238330209 /nfs/dbraw/zinc/33/02/09/238330209.db2.gz KBZXZHCSFBWXMK-XJKCOSOUSA-N 2 0 264.413 2.760 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000423288521 238348983 /nfs/dbraw/zinc/34/89/83/238348983.db2.gz SNOCASATCWBKRS-ZIAGYGMSSA-N 2 0 261.413 2.743 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292472 238351180 /nfs/dbraw/zinc/35/11/80/238351180.db2.gz NDRARJUKWVWUCG-QWHCGFSZSA-N 2 0 250.386 2.611 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423302539 238358076 /nfs/dbraw/zinc/35/80/76/238358076.db2.gz VRGAEZBLIPXWMJ-VXGBXAGGSA-N 2 0 290.386 2.565 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423325855 238379315 /nfs/dbraw/zinc/37/93/15/238379315.db2.gz LWMMUQFDQWBFQC-CHWSQXEVSA-N 2 0 250.386 2.516 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[NH3+])ccc1SC ZINC000423331700 238384439 /nfs/dbraw/zinc/38/44/39/238384439.db2.gz MTYWMTVWPNVBPB-NSHDSACASA-N 2 0 268.426 2.807 20 0 CFADRP COC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423338190 238387894 /nfs/dbraw/zinc/38/78/94/238387894.db2.gz AURRKMGGLNMSTJ-HNNXBMFYSA-N 2 0 280.799 2.537 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCC[NH3+])cc1OC ZINC000423316553 238369044 /nfs/dbraw/zinc/36/90/44/238369044.db2.gz BUMUEITYWFDIEP-QWHCGFSZSA-N 2 0 280.412 2.524 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOCc1ccccc1 ZINC000390777566 540982649 /nfs/dbraw/zinc/98/26/49/540982649.db2.gz OLCFAEXMAZBNDB-MRXNPFEDSA-N 2 0 264.413 2.508 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423322619 238376053 /nfs/dbraw/zinc/37/60/53/238376053.db2.gz NYIXENGOGNGOQV-HSMVNMDESA-N 2 0 262.397 2.514 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCC[NH2+]C1 ZINC000423350347 238398036 /nfs/dbraw/zinc/39/80/36/238398036.db2.gz XLCCFJVZAURLCH-IRXDYDNUSA-N 2 0 274.408 2.749 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1F ZINC000423350098 238398702 /nfs/dbraw/zinc/39/87/02/238398702.db2.gz WVEVMMFWXLFGOC-MLGOLLRUSA-N 2 0 280.387 2.875 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423349037 238399708 /nfs/dbraw/zinc/39/97/08/238399708.db2.gz VRXDRQXSGPQGJC-JQFCIGGWSA-N 2 0 256.393 2.688 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000423428810 238452729 /nfs/dbraw/zinc/45/27/29/238452729.db2.gz RTPRZUOHXDDAPO-NNPSNHGLSA-N 2 0 294.483 2.936 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313004557 541037675 /nfs/dbraw/zinc/03/76/75/541037675.db2.gz BMWYECKHLMLRCC-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000423473775 238478365 /nfs/dbraw/zinc/47/83/65/238478365.db2.gz OCDHCVCGAMVKBQ-GLQYFDAESA-N 2 0 278.444 2.688 20 0 CFADRP C[C@H](CN1CCCCC1)[NH2+][C@H]1CCCC12CCOCC2 ZINC000312227331 541031095 /nfs/dbraw/zinc/03/10/95/541031095.db2.gz DNSOYSYIENMUNB-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C2CC2)c1 ZINC000423494627 238493217 /nfs/dbraw/zinc/49/32/17/238493217.db2.gz SKWVLOBDQMTPTA-LESCRADOSA-N 2 0 288.435 2.733 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423491638 238493803 /nfs/dbraw/zinc/49/38/03/238493803.db2.gz KDFFSJODRVXRMB-KCQAQPDRSA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000423496025 238495200 /nfs/dbraw/zinc/49/52/00/238495200.db2.gz VVRJOXZPTGLOLR-HYVNUMGLSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000181645718 189303024 /nfs/dbraw/zinc/30/30/24/189303024.db2.gz KNJRJMYBDNGLST-DJIMGWMZSA-N 2 0 288.435 2.573 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000671724889 541059274 /nfs/dbraw/zinc/05/92/74/541059274.db2.gz LGZHDDQTBRDUHB-JWTNVVGKSA-N 2 0 287.451 2.810 20 0 CFADRP CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183126159 189347327 /nfs/dbraw/zinc/34/73/27/189347327.db2.gz BWRYFHBNAXRZGM-YESZJQIVSA-N 2 0 258.409 2.897 20 0 CFADRP CC[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183126223 189347582 /nfs/dbraw/zinc/34/75/82/189347582.db2.gz BWRYFHBNAXRZGM-IKGGRYGDSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccncc1 ZINC000671750116 541074985 /nfs/dbraw/zinc/07/49/85/541074985.db2.gz VOMXDTNCYRUSSV-XLNGHYISSA-N 2 0 273.424 2.648 20 0 CFADRP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F ZINC000666319437 541084639 /nfs/dbraw/zinc/08/46/39/541084639.db2.gz ORVGPQFSQMNYJL-STQMWFEESA-N 2 0 284.325 2.665 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CC[NH2+]1 ZINC000666689020 541132406 /nfs/dbraw/zinc/13/24/06/541132406.db2.gz KFGGEXVOYTZYDY-KEYYUXOJSA-N 2 0 274.408 2.917 20 0 CFADRP c1ccc2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccnc2c1 ZINC000666762110 541141022 /nfs/dbraw/zinc/14/10/22/541141022.db2.gz VCCWDIRTUDFLDA-YIONKMFJSA-N 2 0 267.376 2.607 20 0 CFADRP CC[C@@H](C)Oc1cc(C[NH2+]CCC[NH2+]C)ccc1OC ZINC000666805866 541146238 /nfs/dbraw/zinc/14/62/38/541146238.db2.gz ZJLUYSHACSGFFF-CYBMUJFWSA-N 2 0 280.412 2.572 20 0 CFADRP CC(C)(C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000666843178 541150598 /nfs/dbraw/zinc/15/05/98/541150598.db2.gz QETGJCCIAMSZPT-QGZVFWFLSA-N 2 0 260.425 2.944 20 0 CFADRP CC1(C[NH2+]Cc2ccc3cnccc3c2)CC[NH2+]CC1 ZINC000666841357 541150906 /nfs/dbraw/zinc/15/09/06/541150906.db2.gz PERTUXHUWHRQQX-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2c1 ZINC000666856507 541152729 /nfs/dbraw/zinc/15/27/29/541152729.db2.gz MMMMUUGKLPXDND-AWEZNQCLSA-N 2 0 258.365 2.973 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857796 541152945 /nfs/dbraw/zinc/15/29/45/541152945.db2.gz JLIWUZBNYVLSKJ-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952194 541165881 /nfs/dbraw/zinc/16/58/81/541165881.db2.gz JUPYUDZDIQIEEC-INIZCTEOSA-N 2 0 270.376 2.973 20 0 CFADRP Fc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952255 541166006 /nfs/dbraw/zinc/16/60/06/541166006.db2.gz MUDZYOHNOFZQBE-ZDUSSCGKSA-N 2 0 268.763 2.711 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952195 541166015 /nfs/dbraw/zinc/16/60/15/541166015.db2.gz JUPYUDZDIQIEEC-MRXNPFEDSA-N 2 0 270.376 2.973 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000666952487 541166021 /nfs/dbraw/zinc/16/60/21/541166021.db2.gz YLUYKNWHVCITCC-ZDUSSCGKSA-N 2 0 250.411 2.597 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952254 541166064 /nfs/dbraw/zinc/16/60/64/541166064.db2.gz MUDZYOHNOFZQBE-CYBMUJFWSA-N 2 0 268.763 2.711 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CC(C)(C)C1 ZINC000666954268 541166261 /nfs/dbraw/zinc/16/62/61/541166261.db2.gz SUGCPMPWXJIKES-RDBSUJKOSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H](C)c1ccccc1 ZINC000666953754 541166700 /nfs/dbraw/zinc/16/67/00/541166700.db2.gz GWTWESXYCHNTSF-YCPHGPKFSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000666954622 541167267 /nfs/dbraw/zinc/16/72/67/541167267.db2.gz YYOSGWNXCUNOTB-WFASDCNBSA-N 2 0 262.372 2.661 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995668 541171438 /nfs/dbraw/zinc/17/14/38/541171438.db2.gz WBOQDOGLDCPJSQ-GXTWGEPZSA-N 2 0 264.438 2.943 20 0 CFADRP c1cc2cnccc2c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996722 541171781 /nfs/dbraw/zinc/17/17/81/541171781.db2.gz BJZLOTXHYGUZRR-MRXNPFEDSA-N 2 0 281.403 2.999 20 0 CFADRP COc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000666998348 541172309 /nfs/dbraw/zinc/17/23/09/541172309.db2.gz OTRGIZNLGIVZAD-CYBMUJFWSA-N 2 0 278.371 2.599 20 0 CFADRP CCn1c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)nc2ccccc21 ZINC000666998472 541172409 /nfs/dbraw/zinc/17/24/09/541172409.db2.gz VWYKMNFYSTWGKF-CQSZACIVSA-N 2 0 298.434 2.821 20 0 CFADRP c1cnn(-c2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2)c1 ZINC000666999470 541172687 /nfs/dbraw/zinc/17/26/87/541172687.db2.gz LMKPDMGQGZYGAF-INIZCTEOSA-N 2 0 296.418 2.637 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666903238 541158302 /nfs/dbraw/zinc/15/83/02/541158302.db2.gz ATNSINXXUKYYBK-LSDHHAIUSA-N 2 0 274.408 2.675 20 0 CFADRP C[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C[NH+](C)C ZINC000425923217 239138149 /nfs/dbraw/zinc/13/81/49/239138149.db2.gz NTFCONMERWQLBN-RYRKJORJSA-N 2 0 290.451 2.942 20 0 CFADRP C[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C[NH+](C)C ZINC000425923219 239136327 /nfs/dbraw/zinc/13/63/27/239136327.db2.gz NTFCONMERWQLBN-SOLBZPMBSA-N 2 0 290.451 2.942 20 0 CFADRP COCC(C)(C)CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000426402802 239218739 /nfs/dbraw/zinc/21/87/39/239218739.db2.gz DJYKPHKERIEACE-OWCLPIDISA-N 2 0 282.472 2.996 20 0 CFADRP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(C2CCCC2)c1 ZINC000667713104 541297689 /nfs/dbraw/zinc/29/76/89/541297689.db2.gz XVOHBYHIWNILGG-QZTJIDSGSA-N 2 0 270.420 2.995 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667787674 541315054 /nfs/dbraw/zinc/31/50/54/541315054.db2.gz XLAAEOZUBFAPNU-CYGHRXIMSA-N 2 0 294.483 2.902 20 0 CFADRP C1CC1[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000667891754 541335676 /nfs/dbraw/zinc/33/56/76/541335676.db2.gz WUYJEMNXTYDMJP-SJLPKXTDSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667890330 541335740 /nfs/dbraw/zinc/33/57/40/541335740.db2.gz CXPPUHCXLVIHPC-QZTJIDSGSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668159514 541389656 /nfs/dbraw/zinc/38/96/56/541389656.db2.gz YNKPRLRCGNSYKC-KLHKWILBSA-N 2 0 288.435 2.916 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000435375381 240305821 /nfs/dbraw/zinc/30/58/21/240305821.db2.gz USYITARMCHYYPW-ZDUSSCGKSA-N 2 0 288.435 2.959 20 0 CFADRP CC[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435382247 240306517 /nfs/dbraw/zinc/30/65/17/240306517.db2.gz CNFIHWLFLFADTP-HNNXBMFYSA-N 2 0 268.351 2.929 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000435376822 240307350 /nfs/dbraw/zinc/30/73/50/240307350.db2.gz VEUZMGDMODSRHK-JSGCOSHPSA-N 2 0 264.438 2.968 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435391300 240309862 /nfs/dbraw/zinc/30/98/62/240309862.db2.gz RYNQHIOUQGHJKL-RDJZCZTQSA-N 2 0 260.425 2.797 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc2c1 ZINC000435383387 240310428 /nfs/dbraw/zinc/31/04/28/240310428.db2.gz IBMWTLNWPOKBPQ-GFCCVEGCSA-N 2 0 274.364 2.612 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000435391544 240310824 /nfs/dbraw/zinc/31/08/24/240310824.db2.gz FRIJDZAOTQXSFQ-CYBMUJFWSA-N 2 0 256.349 2.727 20 0 CFADRP c1ccc(C[N@@H+](CC2CCC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435617108 240330668 /nfs/dbraw/zinc/33/06/68/240330668.db2.gz MKWHGMQGWVPZBW-KRWDZBQOSA-N 2 0 273.424 2.826 20 0 CFADRP c1csc(C[N@@H+](CC2CCC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435689253 240339502 /nfs/dbraw/zinc/33/95/02/240339502.db2.gz YGNGPRXGIYPSOW-AWEZNQCLSA-N 2 0 291.464 2.887 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000435395999 240312269 /nfs/dbraw/zinc/31/22/69/240312269.db2.gz UCHUSHQFHMRODJ-UKRRQHHQSA-N 2 0 294.414 2.684 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000275675817 193102647 /nfs/dbraw/zinc/10/26/47/193102647.db2.gz DBZUSIIRPSVSCR-HNNXBMFYSA-N 2 0 290.386 2.570 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000275857054 193148362 /nfs/dbraw/zinc/14/83/62/193148362.db2.gz MCCNZMVTPDSOJE-ZDUSSCGKSA-N 2 0 262.372 2.608 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063921 241035599 /nfs/dbraw/zinc/03/55/99/241035599.db2.gz XLJYWAGVSQGNHN-INIZCTEOSA-N 2 0 260.425 2.988 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000442918944 241019849 /nfs/dbraw/zinc/01/98/49/241019849.db2.gz DJISXKUNIFRQHK-GFCCVEGCSA-N 2 0 284.350 2.849 20 0 CFADRP CC(C)[NH+](CCN(C)CCC[NH+]1CCCCC1)C(C)C ZINC000444612167 241153759 /nfs/dbraw/zinc/15/37/59/241153759.db2.gz UWSMCIYNKDOZRL-UHFFFAOYSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447533526 241380230 /nfs/dbraw/zinc/38/02/30/241380230.db2.gz YAOKQMQWQVZMIH-DZGCQCFKSA-N 2 0 293.455 2.573 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c(C)o1 ZINC000447563711 241384536 /nfs/dbraw/zinc/38/45/36/241384536.db2.gz RUDUJEVXXQIWAX-HNNXBMFYSA-N 2 0 293.455 2.575 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000089142937 299366499 /nfs/dbraw/zinc/36/64/99/299366499.db2.gz RJQWVIISDBERNW-NWANDNLSSA-N 2 0 290.407 2.626 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000447602509 241391426 /nfs/dbraw/zinc/39/14/26/241391426.db2.gz UTIHGPOKHLIFTG-DLBZAZTESA-N 2 0 294.414 2.630 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447601234 241392153 /nfs/dbraw/zinc/39/21/53/241392153.db2.gz PFUQQEOWTYFXEA-CQSZACIVSA-N 2 0 296.480 2.507 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000225151051 189744324 /nfs/dbraw/zinc/74/43/24/189744324.db2.gz KUQGUBWVWFRGJE-RISCZKNCSA-N 2 0 252.427 2.918 20 0 CFADRP CC(C)CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000449127100 241709095 /nfs/dbraw/zinc/70/90/95/241709095.db2.gz WEAXCHHGTDMNGH-WMZOPIPTSA-N 2 0 296.499 2.885 20 0 CFADRP Cc1cccc(CC[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000449230068 241778666 /nfs/dbraw/zinc/77/86/66/241778666.db2.gz HDHPNLRMOUDFJI-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP CCC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1CCCC1 ZINC000423172938 283940092 /nfs/dbraw/zinc/94/00/92/283940092.db2.gz WBMGVJYSCVCHEW-CABCVRRESA-N 2 0 256.434 2.689 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000449528612 242007518 /nfs/dbraw/zinc/00/75/18/242007518.db2.gz QOGSLGYXBLOTOX-HXUWFJFHSA-N 2 0 296.480 2.634 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(O)CCCC1 ZINC000449737549 242126180 /nfs/dbraw/zinc/12/61/80/242126180.db2.gz SCSLPEKAPXKUMT-LSDHHAIUSA-N 2 0 280.456 2.534 20 0 CFADRP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414753498 284023254 /nfs/dbraw/zinc/02/32/54/284023254.db2.gz DSYPMTSKNLZSDQ-ZMSDIMECSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1ccccc1Cl)C1C[NH2+]C1 ZINC000422711517 296117170 /nfs/dbraw/zinc/11/71/70/296117170.db2.gz MTGUJZUJJNHVMN-LLVKDONJSA-N 2 0 266.816 2.815 20 0 CFADRP COc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675814252 541697734 /nfs/dbraw/zinc/69/77/34/541697734.db2.gz QWIOPANRVZHFBL-GJZGRUSLSA-N 2 0 292.423 2.536 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000453059700 243379830 /nfs/dbraw/zinc/37/98/30/243379830.db2.gz MYOKXGHDNDEVSH-MRXNPFEDSA-N 2 0 290.455 2.509 20 0 CFADRP C[C@@H]1CCCN(CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453059758 243380425 /nfs/dbraw/zinc/38/04/25/243380425.db2.gz NFAZWSJFVGNOJA-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000453059699 243380786 /nfs/dbraw/zinc/38/07/86/243380786.db2.gz MYOKXGHDNDEVSH-INIZCTEOSA-N 2 0 290.455 2.509 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCC1 ZINC000453059750 243381809 /nfs/dbraw/zinc/38/18/09/243381809.db2.gz NDLCKIRDNBJNMR-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)C[NH+]1CCCC1 ZINC000453061314 243382838 /nfs/dbraw/zinc/38/28/38/243382838.db2.gz NTXNMWYIZHJCTA-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@H]1CCCCN1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675877800 541701779 /nfs/dbraw/zinc/70/17/79/541701779.db2.gz LBPFGVAPFOIROJ-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccncn1 ZINC000453076357 243390072 /nfs/dbraw/zinc/39/00/72/243390072.db2.gz HNNMCOVIRKYPDT-HNNXBMFYSA-N 2 0 296.418 2.923 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000453079111 243392096 /nfs/dbraw/zinc/39/20/96/243392096.db2.gz CTDBBFBTPXEXQS-GJZGRUSLSA-N 2 0 263.429 2.723 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000453086647 243395623 /nfs/dbraw/zinc/39/56/23/243395623.db2.gz PCPZCKDKPJLVDB-BBRMVZONSA-N 2 0 259.397 2.607 20 0 CFADRP CO[C@H](CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000423076790 294405367 /nfs/dbraw/zinc/40/53/67/294405367.db2.gz ZTZUIMOTJBPYEB-JHJVBQTASA-N 2 0 296.377 2.854 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC=CC1 ZINC000675938555 541711523 /nfs/dbraw/zinc/71/15/23/541711523.db2.gz SJDYFKGTADJSKH-RHSMWYFYSA-N 2 0 256.393 2.815 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)[C@H](C)C1 ZINC000675928950 541710108 /nfs/dbraw/zinc/71/01/08/541710108.db2.gz WPWYLHGZDQIRPJ-LZWOXQAQSA-N 2 0 261.413 2.505 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161621794 541724966 /nfs/dbraw/zinc/72/49/66/541724966.db2.gz NIJRSUSBUAZFKA-CPUCHLNUSA-N 2 0 286.419 2.899 20 0 CFADRP C[C@@H](CCSc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676250705 541737491 /nfs/dbraw/zinc/73/74/91/541737491.db2.gz VBAPSBIWDHPEFV-SOUVJXGZSA-N 2 0 276.449 2.709 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000227499455 189785163 /nfs/dbraw/zinc/78/51/63/189785163.db2.gz XNOCRSXACOFZNP-QGZVFWFLSA-N 2 0 272.436 2.865 20 0 CFADRP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000276596290 193395179 /nfs/dbraw/zinc/39/51/79/193395179.db2.gz AQWUJPAQCARQET-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CCC(CC)C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000676901700 541804333 /nfs/dbraw/zinc/80/43/33/541804333.db2.gz FSAABRWDFZZBKQ-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP C(CC1CC[NH+]([C@H]2CCCOC2)CC1)C[NH+]1CCCC1 ZINC000676901353 541804718 /nfs/dbraw/zinc/80/47/18/541804718.db2.gz SEOMVKJDSFDUDH-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+]2CCc2cncn2C)cs1 ZINC000459405449 245167484 /nfs/dbraw/zinc/16/74/84/245167484.db2.gz KFQQSDVRPCBHLN-CQSZACIVSA-N 2 0 276.409 2.565 20 0 CFADRP Fc1cc(CC[NH2+]C2CCN(C3CC3)CC2)cc(F)c1F ZINC000459466341 245189210 /nfs/dbraw/zinc/18/92/10/245189210.db2.gz PAVUBNSUFJANAY-UHFFFAOYSA-N 2 0 298.352 2.863 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459541872 245210782 /nfs/dbraw/zinc/21/07/82/245210782.db2.gz NEVOZMOLPJVQIL-INIZCTEOSA-N 2 0 284.488 2.885 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000677153651 541829228 /nfs/dbraw/zinc/82/92/28/541829228.db2.gz SPDZVJJQKZKJHJ-ZDUSSCGKSA-N 2 0 255.365 2.765 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459726989 245288117 /nfs/dbraw/zinc/28/81/17/245288117.db2.gz GWNWBSAQDQZYCA-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459741002 245295516 /nfs/dbraw/zinc/29/55/16/245295516.db2.gz UUJJYUQBURMHPI-HZPDHXFCSA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccc(F)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459723557 245284082 /nfs/dbraw/zinc/28/40/82/245284082.db2.gz ADDKBEVLHTUKBQ-ZDUSSCGKSA-N 2 0 280.387 2.656 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765423 245311968 /nfs/dbraw/zinc/31/19/68/245311968.db2.gz PCBLYDSQPBUKTO-XOKHGSTOSA-N 2 0 282.391 2.854 20 0 CFADRP CSC1(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000459792483 245330212 /nfs/dbraw/zinc/33/02/12/245330212.db2.gz SDANVFBHJJWCMS-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000462807613 245391374 /nfs/dbraw/zinc/39/13/74/245391374.db2.gz YGFGOKDDKBQRJO-PBHICJAKSA-N 2 0 258.409 2.802 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000019904022 372206286 /nfs/dbraw/zinc/20/62/86/372206286.db2.gz GBSMSAHNUSBMKT-UHFFFAOYSA-N 2 0 264.388 2.831 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000037644179 372681275 /nfs/dbraw/zinc/68/12/75/372681275.db2.gz RVQKJPQCOSMUQM-QWHCGFSZSA-N 2 0 280.387 2.827 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000037649137 372683494 /nfs/dbraw/zinc/68/34/94/372683494.db2.gz NBZNPBRKWDMNSU-QWHCGFSZSA-N 2 0 288.391 2.550 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649194 372683906 /nfs/dbraw/zinc/68/39/06/372683906.db2.gz VEYPFQIBELDSLL-ZIAGYGMSSA-N 2 0 274.408 2.830 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000037649197 372685042 /nfs/dbraw/zinc/68/50/42/372685042.db2.gz WPCFEEJOHDVLPI-STQMWFEESA-N 2 0 262.372 2.961 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(F)c(Br)c1 ZINC000037715525 372691887 /nfs/dbraw/zinc/69/18/87/372691887.db2.gz BBNGRYYWIYLRLU-VIFPVBQESA-N 2 0 289.192 2.978 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000037714976 372692631 /nfs/dbraw/zinc/69/26/31/372692631.db2.gz BLSQNNQDECKYLA-ZDUSSCGKSA-N 2 0 250.386 2.865 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC[NH+](C)C1CCCCC1 ZINC000037901180 372734443 /nfs/dbraw/zinc/73/44/43/372734443.db2.gz NHDULCKDIDBMOI-NUJGCVRESA-N 2 0 295.515 2.959 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CC2CCOCC2)C1 ZINC000349968573 284347344 /nfs/dbraw/zinc/34/73/44/284347344.db2.gz HQBFSPBJKRHHRZ-WBVHZDCISA-N 2 0 282.472 2.713 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)s1 ZINC000041202872 372827210 /nfs/dbraw/zinc/82/72/10/372827210.db2.gz XVXZSPCUULXPAP-CQSZACIVSA-N 2 0 295.496 2.599 20 0 CFADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000333327654 205222239 /nfs/dbraw/zinc/22/22/39/205222239.db2.gz VPFCPHXNAHLNIS-XLWJZTARSA-N 2 0 279.428 2.591 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000042427582 372921972 /nfs/dbraw/zinc/92/19/72/372921972.db2.gz POONQNKAJTYOOU-UHFFFAOYSA-N 2 0 252.789 2.901 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044533706 373004489 /nfs/dbraw/zinc/00/44/89/373004489.db2.gz ZGRGOPAYBCBZMR-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cccc(Br)c1 ZINC000045598354 373022648 /nfs/dbraw/zinc/02/26/48/373022648.db2.gz MJBWEAFQOJMNAS-UHFFFAOYSA-N 2 0 285.229 2.881 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000045628984 373023295 /nfs/dbraw/zinc/02/32/95/373023295.db2.gz ZFLSYGSLRDXWIS-HNNXBMFYSA-N 2 0 271.408 2.996 20 0 CFADRP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000047892375 373127096 /nfs/dbraw/zinc/12/70/96/373127096.db2.gz ZQGIWSUWISZAEI-OAHLLOKOSA-N 2 0 258.409 2.877 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000048436471 373183261 /nfs/dbraw/zinc/18/32/61/373183261.db2.gz DGMLJYHNQJVNLR-UHFFFAOYSA-N 2 0 262.397 2.529 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000050225269 373366136 /nfs/dbraw/zinc/36/61/36/373366136.db2.gz HZYJCUGMRBPVMO-COPLHBTASA-N 2 0 252.427 2.875 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000050343571 373369807 /nfs/dbraw/zinc/36/98/07/373369807.db2.gz GXHYRLRKYIFOHD-VXGBXAGGSA-N 2 0 250.411 2.883 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252881970 220229339 /nfs/dbraw/zinc/22/93/39/220229339.db2.gz ZATFFHDWGNYKND-YESZJQIVSA-N 2 0 288.435 2.741 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252881742 220229540 /nfs/dbraw/zinc/22/95/40/220229540.db2.gz YWQFUOYGVDBYOJ-CWRNSKLLSA-N 2 0 276.449 2.968 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488455434 245863210 /nfs/dbraw/zinc/86/32/10/245863210.db2.gz KBQBYOWWWIBKRZ-KGLIPLIRSA-N 2 0 270.486 2.838 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000062078404 373746461 /nfs/dbraw/zinc/74/64/61/373746461.db2.gz APNOHEMHVBIBGO-JKSUJKDBSA-N 2 0 290.451 2.948 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000063159119 373788699 /nfs/dbraw/zinc/78/86/99/373788699.db2.gz MTKUIHUDOKGJLZ-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000063159030 373789264 /nfs/dbraw/zinc/78/92/64/373789264.db2.gz WLNOSDZNVBYHDJ-UHFFFAOYSA-N 2 0 284.350 2.719 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197682 373794875 /nfs/dbraw/zinc/79/48/75/373794875.db2.gz ZHLNTYLKVBTMFU-MRXNPFEDSA-N 2 0 262.372 2.790 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000063200160 373797112 /nfs/dbraw/zinc/79/71/12/373797112.db2.gz DDANIEILTWGJBN-INIZCTEOSA-N 2 0 292.398 2.798 20 0 CFADRP FC(F)[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000677734591 541898942 /nfs/dbraw/zinc/89/89/42/541898942.db2.gz XTEXPFWWFOILPJ-NUYITTKVSA-N 2 0 294.336 2.717 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000070074113 374121512 /nfs/dbraw/zinc/12/15/12/374121512.db2.gz ZPHSQIXWGKISEP-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000070150016 374129985 /nfs/dbraw/zinc/12/99/85/374129985.db2.gz YIEMEDUKDZTWQE-HNNXBMFYSA-N 2 0 292.423 2.716 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000070174006 374139447 /nfs/dbraw/zinc/13/94/47/374139447.db2.gz HBVCMRCMPNBQHD-UONOGXRCSA-N 2 0 264.438 2.838 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070173938 374139496 /nfs/dbraw/zinc/13/94/96/374139496.db2.gz ZURYTORQFYPPCY-HUUCEWRRSA-N 2 0 292.423 2.523 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499639 374187588 /nfs/dbraw/zinc/18/75/88/374187588.db2.gz BJWKBUHQJHNTIO-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499638 374188074 /nfs/dbraw/zinc/18/80/74/374188074.db2.gz BJWKBUHQJHNTIO-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499644 374188416 /nfs/dbraw/zinc/18/84/16/374188416.db2.gz XYEXJDFTINJIPH-CQSZACIVSA-N 2 0 258.409 2.736 20 0 CFADRP CCCC[C@H](CC)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491247708 246054492 /nfs/dbraw/zinc/05/44/92/246054492.db2.gz FKHIMPPZEWMDRX-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)C[NH+](C)C ZINC000491597278 246085278 /nfs/dbraw/zinc/08/52/78/246085278.db2.gz SWRYBSISPMPDGH-RXNFCKPNSA-N 2 0 268.351 2.765 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CCOCC2)C1 ZINC000072965578 374306546 /nfs/dbraw/zinc/30/65/46/374306546.db2.gz WKLYZSSQEZWKJO-SJLPKXTDSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccsc1 ZINC000571513938 383700431 /nfs/dbraw/zinc/70/04/31/383700431.db2.gz ZZDIGLULHWCYPL-MRXNPFEDSA-N 2 0 295.496 2.816 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835250 374505744 /nfs/dbraw/zinc/50/57/44/374505744.db2.gz FLNQACMXVVOSCO-KRWDZBQOSA-N 2 0 258.409 2.994 20 0 CFADRP CC(C)Oc1ncccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000048760501 541960705 /nfs/dbraw/zinc/96/07/05/541960705.db2.gz ZKXVLVMMIQMGFP-AWEZNQCLSA-N 2 0 291.439 2.689 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678120982 541955376 /nfs/dbraw/zinc/95/53/76/541955376.db2.gz UMEFKADUWAGNMF-HNNXBMFYSA-N 2 0 276.424 2.859 20 0 CFADRP CC(C)[NH2+][C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000678222804 541975212 /nfs/dbraw/zinc/97/52/12/541975212.db2.gz HPLKXMLWOLQYCE-OAHLLOKOSA-N 2 0 272.396 2.525 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000080510002 374659209 /nfs/dbraw/zinc/65/92/09/374659209.db2.gz GZWJOVVXADZBSE-UHFFFAOYSA-N 2 0 288.435 2.832 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000085380161 374802819 /nfs/dbraw/zinc/80/28/19/374802819.db2.gz RGDBJYCUTTUFQT-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000086332655 374804216 /nfs/dbraw/zinc/80/42/16/374804216.db2.gz ZPBGEZTWQXTGIJ-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000089145779 374872894 /nfs/dbraw/zinc/87/28/94/374872894.db2.gz GZNORCOWLWSRRS-BXUZGUMPSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000089140172 374873195 /nfs/dbraw/zinc/87/31/95/374873195.db2.gz BGZLBXNTCDMZBH-GJZGRUSLSA-N 2 0 286.423 2.534 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000089146070 374875523 /nfs/dbraw/zinc/87/55/23/374875523.db2.gz DRZMVCYDOMCGLE-ZBFHGGJFSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089147764 374875542 /nfs/dbraw/zinc/87/55/42/374875542.db2.gz RHRASXMNFDOJQH-ZYHUDNBSSA-N 2 0 270.323 2.505 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)[C@H](C)C1 ZINC000089721978 374940409 /nfs/dbraw/zinc/94/04/09/374940409.db2.gz YBDFDVVCKSVVLZ-INMHGKMJSA-N 2 0 276.424 2.774 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000090015134 374985226 /nfs/dbraw/zinc/98/52/26/374985226.db2.gz MJPAUNIWHHGKCD-ZOBUZTSGSA-N 2 0 260.425 2.856 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000090218376 375004932 /nfs/dbraw/zinc/00/49/32/375004932.db2.gz QAOCADCOSPDKIW-UHDSXZAQSA-N 2 0 282.472 2.756 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000092804630 375157101 /nfs/dbraw/zinc/15/71/01/375157101.db2.gz KBSCBJBTQZRDJN-JHJVBQTASA-N 2 0 252.446 2.987 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000092835526 375162959 /nfs/dbraw/zinc/16/29/59/375162959.db2.gz SVWKHCRMXXSIRK-KRWDZBQOSA-N 2 0 274.408 2.758 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000092836304 375163302 /nfs/dbraw/zinc/16/33/02/375163302.db2.gz LTGPATDYDAHOHT-ACJLOTCBSA-N 2 0 286.419 2.756 20 0 CFADRP CCc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093088924 375185008 /nfs/dbraw/zinc/18/50/08/375185008.db2.gz MNXKRHFMGLDEDE-UHFFFAOYSA-N 2 0 250.386 2.616 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451025 375243551 /nfs/dbraw/zinc/24/35/51/375243551.db2.gz KMMSWIKBDZTHAO-HRCADAONSA-N 2 0 262.372 2.836 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000093496641 375253884 /nfs/dbraw/zinc/25/38/84/375253884.db2.gz WMANBQWLGMDZNR-DZGCQCFKSA-N 2 0 290.407 2.816 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000093496739 375254510 /nfs/dbraw/zinc/25/45/10/375254510.db2.gz PRXVVLFRLSHQBQ-DLBZAZTESA-N 2 0 281.488 2.763 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000093491493 375254664 /nfs/dbraw/zinc/25/46/64/375254664.db2.gz BTTUSJDTMYTYOG-ZJPYXAASSA-N 2 0 293.499 2.619 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2sccc2C)C1 ZINC000093770260 375310749 /nfs/dbraw/zinc/31/07/49/375310749.db2.gz QTRHCUHYTDTWPS-CYBMUJFWSA-N 2 0 252.427 2.830 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nccs1 ZINC000093516440 375261610 /nfs/dbraw/zinc/26/16/10/375261610.db2.gz PNFBHJSMNAYHAK-STQMWFEESA-N 2 0 267.442 2.586 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000094950114 375396280 /nfs/dbraw/zinc/39/62/80/375396280.db2.gz MFQIGTVQTFORKW-GRDNDAEWSA-N 2 0 278.415 2.995 20 0 CFADRP CCOc1ccccc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010725 375335211 /nfs/dbraw/zinc/33/52/11/375335211.db2.gz DVQKJXGEDCRQRL-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094070200 375338610 /nfs/dbraw/zinc/33/86/10/375338610.db2.gz OUWDGIWPZVHUKG-UHFFFAOYSA-N 2 0 276.424 2.633 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000094070100 375338694 /nfs/dbraw/zinc/33/86/94/375338694.db2.gz WCJZJYKBTMAVHL-UHFFFAOYSA-N 2 0 288.391 2.763 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094070044 375338854 /nfs/dbraw/zinc/33/88/54/375338854.db2.gz PDUPHPUMUBDIOR-CABCVRRESA-N 2 0 268.445 2.643 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513655158 247224296 /nfs/dbraw/zinc/22/42/96/247224296.db2.gz LPHQAXZIDHQOCP-ZACQAIPSSA-N 2 0 288.435 2.836 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513754174 247225638 /nfs/dbraw/zinc/22/56/38/247225638.db2.gz IQQHHQIWFBXSNR-KSZLIROESA-N 2 0 272.436 3.000 20 0 CFADRP CSc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccn1 ZINC000678547629 542040240 /nfs/dbraw/zinc/04/02/40/542040240.db2.gz HFBYYZCSKMLJAC-GFCCVEGCSA-N 2 0 279.453 2.623 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)[C@@H](C)C1 ZINC000678597626 542048321 /nfs/dbraw/zinc/04/83/21/542048321.db2.gz FZIRDFJBTCRRTA-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CC12CCC(CC1)C2)C1CC[NH+](C)CC1 ZINC000678606565 542052849 /nfs/dbraw/zinc/05/28/49/542052849.db2.gz PLCMIAWSALTTJM-HLIUYOAVSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110821689 375831764 /nfs/dbraw/zinc/83/17/64/375831764.db2.gz VQCXOFDJQOUSOO-CQSZACIVSA-N 2 0 297.240 2.635 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000111695842 375863586 /nfs/dbraw/zinc/86/35/86/375863586.db2.gz BCIFAGVYPMOUMN-CZUORRHYSA-N 2 0 269.392 2.794 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000678766298 542066310 /nfs/dbraw/zinc/06/63/10/542066310.db2.gz OMWNRVBXPCMAOB-YJBOKZPZSA-N 2 0 290.451 2.868 20 0 CFADRP COCC1(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000645485648 383711497 /nfs/dbraw/zinc/71/14/97/383711497.db2.gz OHKUYDBJGDUTJR-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP Cn1ccnc1[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000678808356 542073675 /nfs/dbraw/zinc/07/36/75/542073675.db2.gz PYDYXDJCAWKBKP-AVVWSFFYSA-N 2 0 290.455 2.581 20 0 CFADRP Cn1ccnc1[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000678808357 542073802 /nfs/dbraw/zinc/07/38/02/542073802.db2.gz PYDYXDJCAWKBKP-BCLQGDPASA-N 2 0 290.455 2.581 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842660 376319159 /nfs/dbraw/zinc/31/91/59/376319159.db2.gz JTUFRWTXSAMYLM-HNNXBMFYSA-N 2 0 294.414 2.868 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000118953774 376326919 /nfs/dbraw/zinc/32/69/19/376326919.db2.gz CALVZAVOFOAVQR-NXHRZFHOSA-N 2 0 289.467 2.670 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000262677742 190060751 /nfs/dbraw/zinc/06/07/51/190060751.db2.gz UKRCIDJLDMGBMJ-INIZCTEOSA-N 2 0 277.412 2.513 20 0 CFADRP Cc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278102836 193834106 /nfs/dbraw/zinc/83/41/06/193834106.db2.gz AHIZEKPQRQQHQP-UHFFFAOYSA-N 2 0 258.409 2.959 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3nc4c(s3)CCC4)CC[C@@H]21 ZINC000678842004 542082458 /nfs/dbraw/zinc/08/24/58/542082458.db2.gz CQNOHNQUBHCBHD-JSGCOSHPSA-N 2 0 291.464 2.548 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120788394 376693770 /nfs/dbraw/zinc/69/37/70/376693770.db2.gz HGRQSZWKUYVYIQ-HIFRSBDPSA-N 2 0 295.496 2.591 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000120954430 376732318 /nfs/dbraw/zinc/73/23/18/376732318.db2.gz GOEKJKKVHCQCQG-RHSMWYFYSA-N 2 0 294.414 2.792 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000679017019 542109922 /nfs/dbraw/zinc/10/99/22/542109922.db2.gz SHPBOMVZJIHPFS-IJEWVQPXSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@H]1C[C@@H](Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000679143020 542126802 /nfs/dbraw/zinc/12/68/02/542126802.db2.gz OKJXPWFTUUCOFX-YOEHRIQHSA-N 2 0 275.440 2.685 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC[NH+](C)CC1 ZINC000679078376 542117946 /nfs/dbraw/zinc/11/79/46/542117946.db2.gz LDIQPRSDWSVVCL-RKTXRCNFSA-N 2 0 292.467 2.654 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000121376970 376818031 /nfs/dbraw/zinc/81/80/31/376818031.db2.gz XJMYBXDSZHJTLZ-GOEBONIOSA-N 2 0 293.455 2.512 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000121785073 376904691 /nfs/dbraw/zinc/90/46/91/376904691.db2.gz ULDBGECGLWNOJB-ZDUSSCGKSA-N 2 0 279.403 2.993 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]CCC2CC[NH+](CC)CC2)cn1 ZINC000121750411 376897779 /nfs/dbraw/zinc/89/77/79/376897779.db2.gz MFCJBCNYDHDXNJ-CQSZACIVSA-N 2 0 278.444 2.676 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc32)CC[N@@H+]1C ZINC000121486525 376843876 /nfs/dbraw/zinc/84/38/76/376843876.db2.gz KBBKCDACNIMPSU-RDJZCZTQSA-N 2 0 287.451 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000121683049 376884088 /nfs/dbraw/zinc/88/40/88/376884088.db2.gz DKHXJSYOUTZBMO-CJNGLKHVSA-N 2 0 280.387 2.524 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOc1ccccc1F ZINC000123734809 376973376 /nfs/dbraw/zinc/97/33/76/376973376.db2.gz BQTCUVPDZSYKAX-AWEZNQCLSA-N 2 0 268.376 2.510 20 0 CFADRP Cc1noc(C)c1CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123599490 376958991 /nfs/dbraw/zinc/95/89/91/376958991.db2.gz RMPNXXOORBMUAV-UHFFFAOYSA-N 2 0 293.455 2.888 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000124295300 377034867 /nfs/dbraw/zinc/03/48/67/377034867.db2.gz AAILHDNPTDIVAF-HRCADAONSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@H](C)[NH+]1CCOCC1 ZINC000264709013 190130600 /nfs/dbraw/zinc/13/06/00/190130600.db2.gz FZLLFGAEFPDTDE-KGLIPLIRSA-N 2 0 285.391 2.756 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000125101098 377117660 /nfs/dbraw/zinc/11/76/60/377117660.db2.gz MATXYEOIDGITPT-DLBZAZTESA-N 2 0 273.424 2.657 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000125724297 377187197 /nfs/dbraw/zinc/18/71/97/377187197.db2.gz FRIWOLNLOCQXLK-ARFHVFGLSA-N 2 0 276.424 2.692 20 0 CFADRP COC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C(C)C ZINC000126421852 377228719 /nfs/dbraw/zinc/22/87/19/377228719.db2.gz FVMMSKVCADMPMH-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000127102255 377265191 /nfs/dbraw/zinc/26/51/91/377265191.db2.gz XQBFRRAPVLJJDC-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccc(F)cc1 ZINC000128037996 377311829 /nfs/dbraw/zinc/31/18/29/377311829.db2.gz SKGFSOYVCMCVLC-ZENOOKHLSA-N 2 0 280.387 2.523 20 0 CFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccs1 ZINC000128365670 377331808 /nfs/dbraw/zinc/33/18/08/377331808.db2.gz MMTYABHPQPYVEX-HNNXBMFYSA-N 2 0 295.496 2.816 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127698807 377298492 /nfs/dbraw/zinc/29/84/92/377298492.db2.gz FMZNNOLZLIKKLO-YESZJQIVSA-N 3 0 281.488 2.713 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000128453572 377339579 /nfs/dbraw/zinc/33/95/79/377339579.db2.gz ZPMBBLRYWOMZNA-QGZVFWFLSA-N 2 0 286.423 2.678 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCN(C)c2ccccc2F)CC[N@@H+]1C ZINC000129086652 377382192 /nfs/dbraw/zinc/38/21/92/377382192.db2.gz MAZBRDKXQRCLMX-LSDHHAIUSA-N 2 0 293.430 2.724 20 0 CFADRP C[C@H]1C[C@H](NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000129819960 377475324 /nfs/dbraw/zinc/47/53/24/377475324.db2.gz KRIGURFCJMBOCW-FUHWJXTLSA-N 2 0 289.467 2.581 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000129998051 377499794 /nfs/dbraw/zinc/49/97/94/377499794.db2.gz RSESEZIDSHYWFA-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000679334325 542171184 /nfs/dbraw/zinc/17/11/84/542171184.db2.gz PDCUTBKWPXQRLG-JKSUJKDBSA-N 2 0 270.461 2.639 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000130221290 377523181 /nfs/dbraw/zinc/52/31/81/377523181.db2.gz ZYASOGWEZSRXQH-VKJFTORMSA-N 2 0 290.451 2.946 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000130221498 377523981 /nfs/dbraw/zinc/52/39/81/377523981.db2.gz ZYASOGWEZSRXQH-IIDMSEBBSA-N 2 0 290.451 2.946 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000352928066 284639614 /nfs/dbraw/zinc/63/96/14/284639614.db2.gz APGUFKUTHBDHQY-NVXWUHKLSA-N 2 0 282.472 2.927 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000679330805 542168956 /nfs/dbraw/zinc/16/89/56/542168956.db2.gz SGYWUNVDJHPJJH-HNNXBMFYSA-N 2 0 270.461 2.782 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000130443228 377558797 /nfs/dbraw/zinc/55/87/97/377558797.db2.gz NLIKBIWGHQXJIX-CQSZACIVSA-N 2 0 264.413 2.645 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)co1 ZINC000130815026 377615478 /nfs/dbraw/zinc/61/54/78/377615478.db2.gz APUBCYSOIBKDRA-CYBMUJFWSA-N 2 0 296.411 2.666 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000131560889 377729148 /nfs/dbraw/zinc/72/91/48/377729148.db2.gz WWYTUHUFCQGPGX-NEPJUHHUSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000131560470 377730293 /nfs/dbraw/zinc/73/02/93/377730293.db2.gz WWYTUHUFCQGPGX-VXGBXAGGSA-N 2 0 273.355 2.543 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000132110468 377803520 /nfs/dbraw/zinc/80/35/20/377803520.db2.gz MEPBNFZKGPKTIT-CJNGLKHVSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000132110874 377804327 /nfs/dbraw/zinc/80/43/27/377804327.db2.gz MEPBNFZKGPKTIT-BBRMVZONSA-N 2 0 262.397 2.736 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529534244 383723090 /nfs/dbraw/zinc/72/30/90/383723090.db2.gz UDJRQOOWXPZJCO-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC000529534768 383723407 /nfs/dbraw/zinc/72/34/07/383723407.db2.gz PMKWBLLNFQLYJM-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000133378528 377925574 /nfs/dbraw/zinc/92/55/74/377925574.db2.gz LDJWCONABGUHMK-INIZCTEOSA-N 2 0 264.413 2.891 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000134048107 377978095 /nfs/dbraw/zinc/97/80/95/377978095.db2.gz QQZPHHADNVYZFE-ZFWWWQNUSA-N 2 0 264.388 2.831 20 0 CFADRP COCc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000135175166 378095273 /nfs/dbraw/zinc/09/52/73/378095273.db2.gz KWTFHCUJQNSRNL-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)C1CCOCC1 ZINC000151093258 378292244 /nfs/dbraw/zinc/29/22/44/378292244.db2.gz JNVNIIPQVYARKM-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151940064 378375300 /nfs/dbraw/zinc/37/53/00/378375300.db2.gz BJMLARHRSSGNRG-ZIAGYGMSSA-N 2 0 264.413 2.729 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000152843523 378451393 /nfs/dbraw/zinc/45/13/93/378451393.db2.gz RWEDKWBFQCGXIC-WMLDXEAASA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153960723 378526398 /nfs/dbraw/zinc/52/63/98/378526398.db2.gz RPKFJMHSHJHBHA-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP O=C1CC[C@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2ccccc2N1 ZINC000329771240 378495005 /nfs/dbraw/zinc/49/50/05/378495005.db2.gz GRFYYZOOCWWNDI-RISCZKNCSA-N 2 0 296.374 2.980 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278393109 193961157 /nfs/dbraw/zinc/96/11/57/193961157.db2.gz FYRJCBOYKBFFHS-CQSZACIVSA-N 2 0 273.424 2.915 20 0 CFADRP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154947721 378605344 /nfs/dbraw/zinc/60/53/44/378605344.db2.gz MRRSSHCFEHRXPV-SJORKVTESA-N 2 0 289.467 2.590 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000157450026 378653841 /nfs/dbraw/zinc/65/38/41/378653841.db2.gz MUIFGQQPNCDVOL-IRXDYDNUSA-N 2 0 273.424 2.595 20 0 CFADRP COC1(C[NH2+]C2CCC([NH+](C)C)CC2)CCCCC1 ZINC000353668424 284723158 /nfs/dbraw/zinc/72/31/58/284723158.db2.gz FXXJMUVQPHCATC-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000161715729 378867667 /nfs/dbraw/zinc/86/76/67/378867667.db2.gz FAFJOAXDYHOSNF-ZMSDIMECSA-N 2 0 290.451 2.864 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1csc(Cl)c1Cl ZINC000432244864 383732275 /nfs/dbraw/zinc/73/22/75/383732275.db2.gz FZDRDQCCVNBGTP-UHFFFAOYSA-N 2 0 297.251 2.723 20 0 CFADRP C[N@@H+](CCc1cccs1)CC[C@@H]1CCC[NH+]1C ZINC000162068754 378893031 /nfs/dbraw/zinc/89/30/31/378893031.db2.gz UKUASFRPBSFWAL-ZDUSSCGKSA-N 2 0 252.427 2.707 20 0 CFADRP CC[C@H]([NH2+]CCCCNc1ccccn1)c1cnn(C)c1 ZINC000162834918 378937375 /nfs/dbraw/zinc/93/73/75/378937375.db2.gz IEMGADYKDIGAMT-HNNXBMFYSA-N 2 0 287.411 2.748 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000162868109 378939950 /nfs/dbraw/zinc/93/99/50/378939950.db2.gz OLYICUKUHBCPAI-OAGGEKHMSA-N 2 0 290.455 2.592 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000162592831 378919642 /nfs/dbraw/zinc/91/96/42/378919642.db2.gz HDYARIKZGVNAMG-KRWDZBQOSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)CCNc1ncnc2c1cnn2-c1ccncc1 ZINC000162918738 378943661 /nfs/dbraw/zinc/94/36/61/378943661.db2.gz VRLAAJMDHSATMV-UHFFFAOYSA-N 2 0 282.351 2.669 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000163292204 378964697 /nfs/dbraw/zinc/96/46/97/378964697.db2.gz DVRWDRQIYLWWIN-WMLDXEAASA-N 2 0 290.476 2.948 20 0 CFADRP COc1nc2ccccc2cc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000571862762 383733212 /nfs/dbraw/zinc/73/32/12/383733212.db2.gz NZAYKSUJOJBREB-CZUORRHYSA-N 2 0 299.418 2.660 20 0 CFADRP Clc1ccc(C[NH2+]C2CC[NH2+]CC2)c2ncccc12 ZINC000335276615 379012976 /nfs/dbraw/zinc/01/29/76/379012976.db2.gz FZIILWILEFZJON-UHFFFAOYSA-N 2 0 275.783 2.730 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000165306096 379035241 /nfs/dbraw/zinc/03/52/41/379035241.db2.gz PHDIUMPVSZEDHT-AEFFLSMTSA-N 2 0 290.451 2.566 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000334288561 379038204 /nfs/dbraw/zinc/03/82/04/379038204.db2.gz JBQHPWWCZWUOFA-QGZVFWFLSA-N 2 0 288.435 2.843 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccs1 ZINC000165960093 379045718 /nfs/dbraw/zinc/04/57/18/379045718.db2.gz HHZNRJAGNTVWRC-CHWSQXEVSA-N 2 0 270.442 2.756 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1OC ZINC000165978120 379046643 /nfs/dbraw/zinc/04/66/43/379046643.db2.gz DATAJUSJPGJBNX-CABCVRRESA-N 2 0 294.439 2.703 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)N(C3CC3)C1)CC2 ZINC000166261465 379052975 /nfs/dbraw/zinc/05/29/75/379052975.db2.gz QHVQNNWSAQUMIS-RVZJWNSFSA-N 2 0 286.419 2.897 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000335310977 379060910 /nfs/dbraw/zinc/06/09/10/379060910.db2.gz HPYKFOGOHANCJH-WMLDXEAASA-N 2 0 274.408 2.784 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000571872875 383734310 /nfs/dbraw/zinc/73/43/10/383734310.db2.gz JRPZHEJEPCWPSN-GDBMZVCRSA-N 2 0 261.413 2.697 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000571872878 383734423 /nfs/dbraw/zinc/73/44/23/383734423.db2.gz JRPZHEJEPCWPSN-ZBFHGGJFSA-N 2 0 261.413 2.697 20 0 CFADRP COC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423166511 284763940 /nfs/dbraw/zinc/76/39/40/284763940.db2.gz CXCDMNKJAJNOQK-IRKLFDGPSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000335374062 379183426 /nfs/dbraw/zinc/18/34/26/379183426.db2.gz WDACIANQYJAKMC-HIFRSBDPSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334420836 379268836 /nfs/dbraw/zinc/26/88/36/379268836.db2.gz QLYNYKKQNUTDKD-ZDUSSCGKSA-N 2 0 262.372 2.962 20 0 CFADRP Clc1cccc2c1CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335459675 379331717 /nfs/dbraw/zinc/33/17/17/379331717.db2.gz ACMUHKPANMAYGG-CQSZACIVSA-N 2 0 250.773 2.526 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335482252 379377000 /nfs/dbraw/zinc/37/70/00/379377000.db2.gz CVQFBPPRWBQMPT-DLBZAZTESA-N 2 0 258.409 2.838 20 0 CFADRP c1ccc2ncc(CN3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000334503081 379406885 /nfs/dbraw/zinc/40/68/85/379406885.db2.gz HGTKKIYBJSRTHD-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335511792 379428273 /nfs/dbraw/zinc/42/82/73/379428273.db2.gz ACFKTQDARWWNCL-CJNGLKHVSA-N 2 0 259.397 2.523 20 0 CFADRP Brc1cccc2c1CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551949 379498019 /nfs/dbraw/zinc/49/80/19/379498019.db2.gz MCQNQHKLGOSGCN-AWEZNQCLSA-N 2 0 295.224 2.636 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)cs1 ZINC000334531370 379466039 /nfs/dbraw/zinc/46/60/39/379466039.db2.gz TUUCFSWETIEUPN-YPMHNXCESA-N 2 0 261.394 2.919 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2c1 ZINC000335544625 379487027 /nfs/dbraw/zinc/48/70/27/379487027.db2.gz UXPVSSLQIQPYRW-OAHLLOKOSA-N 2 0 298.434 2.607 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334554776 379517702 /nfs/dbraw/zinc/51/77/02/379517702.db2.gz YIDAMEFWJPKRNK-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP C[C@H]1CN(CCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000334591303 379587564 /nfs/dbraw/zinc/58/75/64/379587564.db2.gz JBKQXRJVUOGDCF-IINYFYTJSA-N 2 0 270.779 2.691 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(C/C=C/c3ccncc3)C2)C1 ZINC000334593334 379590424 /nfs/dbraw/zinc/59/04/24/379590424.db2.gz CPPMLRTWNGENCH-WVMJFEGXSA-N 2 0 271.408 2.513 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000335631926 379630727 /nfs/dbraw/zinc/63/07/27/379630727.db2.gz CRQPULAUIWYELW-UONOGXRCSA-N 2 0 264.438 2.878 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000335633577 379632390 /nfs/dbraw/zinc/63/23/90/379632390.db2.gz KLRHHVQAPQOYRD-KBPBESRZSA-N 2 0 250.411 2.570 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000334625305 379649525 /nfs/dbraw/zinc/64/95/25/379649525.db2.gz NKJQYSDOQZEZTE-LLVKDONJSA-N 2 0 262.328 2.743 20 0 CFADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000334655726 379717919 /nfs/dbraw/zinc/71/79/19/379717919.db2.gz SXSPCOHGNIGBHC-HZPDHXFCSA-N 2 0 287.407 2.526 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[N@@H+]1C ZINC000335716187 379773431 /nfs/dbraw/zinc/77/34/31/379773431.db2.gz DZZMBROAQJZSIT-JSGCOSHPSA-N 2 0 287.382 2.946 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000335805213 379918008 /nfs/dbraw/zinc/91/80/08/379918008.db2.gz RSYZMMGWDAUAHZ-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP C[N@H+](CCCCCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174397650 379878511 /nfs/dbraw/zinc/87/85/11/379878511.db2.gz MBEDJBYVDDNRCC-SFHVURJKSA-N 2 0 290.451 2.603 20 0 CFADRP CCn1c2ccc(F)cc2nc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000571936874 383741157 /nfs/dbraw/zinc/74/11/57/383741157.db2.gz INTQYCUPHGUOCG-YPMHNXCESA-N 2 0 290.386 2.507 20 0 CFADRP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000432353587 383741354 /nfs/dbraw/zinc/74/13/54/383741354.db2.gz NFHQIAIXQMSAMM-MRXNPFEDSA-N 2 0 290.451 2.894 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N(C)C)C1 ZINC000174961884 379970023 /nfs/dbraw/zinc/97/00/23/379970023.db2.gz KJLZJPMFEBHMDF-MRXNPFEDSA-N 2 0 289.467 2.916 20 0 CFADRP CC1(F)CC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335007574 379954503 /nfs/dbraw/zinc/95/45/03/379954503.db2.gz RBNRGQWXNHESQF-HCOPTFKYSA-N 2 0 290.382 2.723 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010838 379955938 /nfs/dbraw/zinc/95/59/38/379955938.db2.gz QXVIMPJZHIQJEL-JKSUJKDBSA-N 2 0 280.456 2.975 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000335147955 379984241 /nfs/dbraw/zinc/98/42/41/379984241.db2.gz YHWAYBSXRVBQRZ-JSGCOSHPSA-N 2 0 270.380 2.806 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC[NH2+]1 ZINC000335254867 380089495 /nfs/dbraw/zinc/08/94/95/380089495.db2.gz CHQBWCGIVJUSAM-QWHCGFSZSA-N 2 0 296.846 2.562 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335236278 380058307 /nfs/dbraw/zinc/05/83/07/380058307.db2.gz DROYRPXVIMKXAA-LSDHHAIUSA-N 2 0 294.464 2.775 20 0 CFADRP c1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000335908848 380090527 /nfs/dbraw/zinc/09/05/27/380090527.db2.gz DBPHCFLINGKHLP-SFHVURJKSA-N 2 0 296.418 2.652 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000335262262 380099274 /nfs/dbraw/zinc/09/92/74/380099274.db2.gz STHQUODAOKBAFK-AAEUAGOBSA-N 2 0 258.365 2.971 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000335917542 380105088 /nfs/dbraw/zinc/10/50/88/380105088.db2.gz STTRVXHJFZQVKV-GXTWGEPZSA-N 2 0 274.408 2.569 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335928583 380118374 /nfs/dbraw/zinc/11/83/74/380118374.db2.gz DAHKUJCAYJQIAM-GOSISDBHSA-N 2 0 297.402 2.516 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000336116576 380270314 /nfs/dbraw/zinc/27/03/14/380270314.db2.gz IQNCTZSKCXDERI-YOEHRIQHSA-N 2 0 282.391 2.950 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177217137 380316648 /nfs/dbraw/zinc/31/66/48/380316648.db2.gz AONYKXHFOVWWSU-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)c2ccccc21 ZINC000336232691 380293270 /nfs/dbraw/zinc/29/32/70/380293270.db2.gz GVRFCUIHWMWSGD-OLZOCXBDSA-N 2 0 252.308 2.766 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000336440393 380347422 /nfs/dbraw/zinc/34/74/22/380347422.db2.gz VZELGEMKWVXTDB-WCQYABFASA-N 2 0 260.372 2.742 20 0 CFADRP Cc1ncsc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000336538482 380434876 /nfs/dbraw/zinc/43/48/76/380434876.db2.gz KNVISLFJTAAKSQ-UHFFFAOYSA-N 2 0 265.426 2.512 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000178378127 380444832 /nfs/dbraw/zinc/44/48/32/380444832.db2.gz FDNDHKCDYXYSBP-SMDDNHRTSA-N 2 0 299.484 2.767 20 0 CFADRP COCCC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000178400667 380448834 /nfs/dbraw/zinc/44/88/34/380448834.db2.gz GAUMAMCMMNUYDX-KGLIPLIRSA-N 2 0 258.450 2.758 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000178038526 380404249 /nfs/dbraw/zinc/40/42/49/380404249.db2.gz JMYUCGJEPWQCNB-XHSDSOJGSA-N 2 0 270.461 2.900 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000336521513 380404908 /nfs/dbraw/zinc/40/49/08/380404908.db2.gz YSBWBVQWRKXJPL-INIZCTEOSA-N 2 0 262.372 2.744 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000268757572 190429492 /nfs/dbraw/zinc/42/94/92/190429492.db2.gz MCUIHKKPOAFUGW-CABCVRRESA-N 2 0 276.424 2.795 20 0 CFADRP Fc1cccc(C[C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178959410 380496631 /nfs/dbraw/zinc/49/66/31/380496631.db2.gz KLNHROQHVXIGOG-KRWDZBQOSA-N 2 0 276.399 2.832 20 0 CFADRP COc1c(C)cc(C[N@H+](C)CC2CC[NH2+]CC2)cc1C ZINC000178971344 380496830 /nfs/dbraw/zinc/49/68/30/380496830.db2.gz ITMGHDAFYVAYBV-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000336650124 380583948 /nfs/dbraw/zinc/58/39/48/380583948.db2.gz DMCZRGGHCUKVEE-WDEREUQCSA-N 2 0 285.229 2.565 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654642 380584718 /nfs/dbraw/zinc/58/47/18/380584718.db2.gz DQUSTIIOXCTWGW-JFIYKMOQSA-N 3 0 289.467 2.614 20 0 CFADRP C[C@H](O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336659444 380585967 /nfs/dbraw/zinc/58/59/67/380585967.db2.gz XSJFSNXYVSXWQP-WMZOPIPTSA-N 2 0 290.451 2.601 20 0 CFADRP Cc1sccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336681653 380589864 /nfs/dbraw/zinc/58/98/64/380589864.db2.gz DWYILRUHDVPMNU-UONOGXRCSA-N 2 0 250.411 2.773 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC[NH+]2CCC2)C1 ZINC000572014659 383747789 /nfs/dbraw/zinc/74/77/89/383747789.db2.gz DUHKOFHDIITOKR-WMZOPIPTSA-N 2 0 287.451 2.507 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C)c3ccccc32)CC[N@@H+]1C ZINC000180017881 380609886 /nfs/dbraw/zinc/60/98/86/380609886.db2.gz IYNWGKCJQIOQTK-OWCLPIDISA-N 2 0 287.451 2.682 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000336719193 380610480 /nfs/dbraw/zinc/61/04/80/380610480.db2.gz RNJOQFINVZLVEJ-RDJZCZTQSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccnc1 ZINC000181379223 380784478 /nfs/dbraw/zinc/78/44/78/380784478.db2.gz IRKNKPNGJLYPRX-ZDUSSCGKSA-N 2 0 279.347 2.513 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@@H]2CCCO[C@@H]21 ZINC000181516816 380813251 /nfs/dbraw/zinc/81/32/51/380813251.db2.gz IGEBQSHDZLBVLO-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346997495 380862585 /nfs/dbraw/zinc/86/25/85/380862585.db2.gz WSYRFWRJOMBPGD-YJBOKZPZSA-N 2 0 287.451 2.889 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400920640 380865833 /nfs/dbraw/zinc/86/58/33/380865833.db2.gz FRUKJABWDVLEHL-QXSJWSMHSA-N 2 0 250.430 2.933 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400920631 380867167 /nfs/dbraw/zinc/86/71/67/380867167.db2.gz FRUKJABWDVLEHL-JJXSEGSLSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000181711817 380872122 /nfs/dbraw/zinc/87/21/22/380872122.db2.gz FNSCWGSSBJQSAG-CJNGLKHVSA-N 2 0 296.842 2.929 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(C)n2)[C@H](C)C1 ZINC000287412642 380826642 /nfs/dbraw/zinc/82/66/42/380826642.db2.gz JQQHTHZUPRQQBJ-PBHICJAKSA-N 2 0 275.440 2.643 20 0 CFADRP Cc1ccccc1CC(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000346980912 380844530 /nfs/dbraw/zinc/84/45/30/380844530.db2.gz MDGZTTCXKDPGLK-UHFFFAOYSA-N 2 0 260.425 2.905 20 0 CFADRP CCN(CC)c1ncc(C[NH+]2CCC([C@H](C)[NH3+])CC2)s1 ZINC000347014476 380878925 /nfs/dbraw/zinc/87/89/25/380878925.db2.gz IXNIKWDIYVRVCS-LBPRGKRZSA-N 2 0 296.484 2.549 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295427871 380847305 /nfs/dbraw/zinc/84/73/05/380847305.db2.gz NXIITMXVDQWCRZ-DLBZAZTESA-N 2 0 290.451 2.876 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCOC2)CN1Cc1ccccc1 ZINC000367903210 380853135 /nfs/dbraw/zinc/85/31/35/380853135.db2.gz MWVCLDINFSBDAL-IRXDYDNUSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400326368 380854559 /nfs/dbraw/zinc/85/45/59/380854559.db2.gz DMIUEDGMWMLSMH-DOTOQJQBSA-N 2 0 276.424 2.714 20 0 CFADRP CC(C)([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000346991153 380855148 /nfs/dbraw/zinc/85/51/48/380855148.db2.gz SZUJNEXWQMEFKI-NSHDSACASA-N 2 0 268.351 2.789 20 0 CFADRP C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400429490 380858371 /nfs/dbraw/zinc/85/83/71/380858371.db2.gz BJVXIXCTQVIICE-JQHSSLGASA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000400434771 380858815 /nfs/dbraw/zinc/85/88/15/380858815.db2.gz KXXHITMWAUXMEV-HLLBOEOZSA-N 2 0 276.424 2.569 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000181740486 380881853 /nfs/dbraw/zinc/88/18/53/380881853.db2.gz UPMPZKGYYLQYJB-IXDOHACOSA-N 2 0 281.488 2.571 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000181750718 380884127 /nfs/dbraw/zinc/88/41/27/380884127.db2.gz VUWOMYZZLRCWGR-ARFHVFGLSA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181823163 380905662 /nfs/dbraw/zinc/90/56/62/380905662.db2.gz VLCQUXGIRUCOPY-BBWFWOEESA-N 2 0 294.483 2.902 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000347063671 380915937 /nfs/dbraw/zinc/91/59/37/380915937.db2.gz CKVYRSDHIIZRCQ-UHFFFAOYSA-N 2 0 298.434 2.817 20 0 CFADRP Cc1ccc(-c2n[nH]cc2CN(C)C2CC[NH2+]CC2)cc1 ZINC000347114684 380949262 /nfs/dbraw/zinc/94/92/62/380949262.db2.gz UNMKPSLQKDBNQR-UHFFFAOYSA-N 2 0 284.407 2.569 20 0 CFADRP CN(Cc1c(F)cccc1N1CCCC1)C1CC[NH2+]CC1 ZINC000347116623 380949353 /nfs/dbraw/zinc/94/93/53/380949353.db2.gz WBTVRODIIILGFP-UHFFFAOYSA-N 2 0 291.414 2.610 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347160014 380975874 /nfs/dbraw/zinc/97/58/74/380975874.db2.gz GNJNEAMHWUCEAU-NVXWUHKLSA-N 2 0 260.425 2.926 20 0 CFADRP C[NH+](C)[C@@H]1CCOc2c(NC3CC[NH+](C)CC3)cccc21 ZINC000341378536 380977678 /nfs/dbraw/zinc/97/76/78/380977678.db2.gz NZFFMKHAGXWZLB-MRXNPFEDSA-N 2 0 289.423 2.578 20 0 CFADRP CC(C)c1ncc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000347106697 380943182 /nfs/dbraw/zinc/94/31/82/380943182.db2.gz NLLJELFBMQBAJY-LLVKDONJSA-N 2 0 267.442 2.826 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000181945427 380946268 /nfs/dbraw/zinc/94/62/68/380946268.db2.gz LRPZUQKWSDKIBK-UHFFFAOYSA-N 2 0 298.471 2.915 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000347111935 380947382 /nfs/dbraw/zinc/94/73/82/380947382.db2.gz QMQAUSGMYDVJAR-GFCCVEGCSA-N 2 0 298.377 2.890 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000347223051 381011656 /nfs/dbraw/zinc/01/16/56/381011656.db2.gz UWBOAPMNYZRCKC-GBJFIMJBSA-N 2 0 262.372 2.898 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347178078 380986485 /nfs/dbraw/zinc/98/64/85/380986485.db2.gz SBHRWJZXOKMCKQ-NSHDSACASA-N 2 0 290.798 2.511 20 0 CFADRP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)c1nccn1C ZINC000182275298 381046051 /nfs/dbraw/zinc/04/60/51/381046051.db2.gz OBPDKIJZKQMIGB-HNNXBMFYSA-N 2 0 298.434 2.519 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCF ZINC000368501453 381048045 /nfs/dbraw/zinc/04/80/45/381048045.db2.gz BANASGGRQRPXNE-OAGGEKHMSA-N 2 0 286.435 2.605 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000347297062 381055112 /nfs/dbraw/zinc/05/51/12/381055112.db2.gz FUJMLOMTSGMKIT-KRWDZBQOSA-N 2 0 275.440 2.678 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000354077798 381062365 /nfs/dbraw/zinc/06/23/65/381062365.db2.gz IKTOHJHIJVHOEU-OAHLLOKOSA-N 2 0 298.434 2.727 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1(C(=O)OC)CCC1 ZINC000354086407 381072039 /nfs/dbraw/zinc/07/20/39/381072039.db2.gz PKAKVSDVCSNMFK-ZNMIVQPWSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000358722793 381034559 /nfs/dbraw/zinc/03/45/59/381034559.db2.gz ZUDLGEJERSAUGC-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000368488858 381041790 /nfs/dbraw/zinc/04/17/90/381041790.db2.gz UQMWQNLWVLQPAV-WBVHZDCISA-N 2 0 294.483 2.924 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182264679 381044601 /nfs/dbraw/zinc/04/46/01/381044601.db2.gz UGVAVEXDNLRNHP-MPGHIAIKSA-N 2 0 290.451 2.777 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000680130844 542281571 /nfs/dbraw/zinc/28/15/71/542281571.db2.gz SCOWUSHCNYZRRP-ZDUSSCGKSA-N 2 0 292.333 2.853 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000182522272 381107080 /nfs/dbraw/zinc/10/70/80/381107080.db2.gz MZCAITOXOPVHFC-OAHLLOKOSA-N 2 0 298.471 2.818 20 0 CFADRP COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289696234 381108613 /nfs/dbraw/zinc/10/86/13/381108613.db2.gz DNCGEFWBSYSOAI-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000358835606 381115256 /nfs/dbraw/zinc/11/52/56/381115256.db2.gz USIUNBVCGPLZLX-SJORKVTESA-N 2 0 298.471 2.583 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000354095461 381076729 /nfs/dbraw/zinc/07/67/29/381076729.db2.gz BBLONDCMYCEJSQ-HNNXBMFYSA-N 2 0 296.480 2.989 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(OC)CC2)[C@H](C)C1 ZINC000347417585 381137309 /nfs/dbraw/zinc/13/73/09/381137309.db2.gz BJMOJVZWWJRTSA-PRLABOORSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2COCC)C1 ZINC000354211693 381143917 /nfs/dbraw/zinc/14/39/17/381143917.db2.gz NMDCFHZSEGSQEL-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cn1cccn1 ZINC000347425116 381144463 /nfs/dbraw/zinc/14/44/63/381144463.db2.gz XMWYAMPJITWXEO-IXDOHACOSA-N 2 0 292.471 2.762 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCn2cccn2)C[C@@H]1C ZINC000354219678 381146739 /nfs/dbraw/zinc/14/67/39/381146739.db2.gz DCQREIOVQACING-IRXDYDNUSA-N 2 0 292.471 2.858 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000358932524 381162517 /nfs/dbraw/zinc/16/25/17/381162517.db2.gz JJOGGEABOFUNEJ-QGZVFWFLSA-N 2 0 298.434 2.649 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000354180878 381125356 /nfs/dbraw/zinc/12/53/56/381125356.db2.gz JPAWIGABRBOGDF-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccsc1 ZINC000295947258 381173895 /nfs/dbraw/zinc/17/38/95/381173895.db2.gz LFDCJWQWSQHUTJ-MRXNPFEDSA-N 2 0 295.496 2.815 20 0 CFADRP C1=C[C@@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000182961741 381190684 /nfs/dbraw/zinc/19/06/84/381190684.db2.gz HHJVFLMWGLNXDY-GOSISDBHSA-N 2 0 292.467 2.920 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000347531288 381204870 /nfs/dbraw/zinc/20/48/70/381204870.db2.gz VMDQYZAJZUPBMZ-OOHWJJMZSA-N 2 0 276.424 2.664 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2nccn2C)CC1 ZINC000182830895 381168777 /nfs/dbraw/zinc/16/87/77/381168777.db2.gz FGQXPGRKINTQQX-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP Fc1cccc(O[C@@H]2CCN(CCC[NH+]3CCCC3)C2)c1 ZINC000183368870 381263076 /nfs/dbraw/zinc/26/30/76/381263076.db2.gz IFSQFCXGEPUQOX-QGZVFWFLSA-N 2 0 292.398 2.765 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000359043531 381231449 /nfs/dbraw/zinc/23/14/49/381231449.db2.gz DKXKQPWYFPMYQM-CZUORRHYSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccccc2)O1 ZINC000359214606 381292068 /nfs/dbraw/zinc/29/20/68/381292068.db2.gz JQTIUYSQHMLTHV-CRAIPNDOSA-N 2 0 288.435 2.838 20 0 CFADRP CCC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000359229565 381299933 /nfs/dbraw/zinc/29/99/33/381299933.db2.gz YBFYJGNLELNJDH-ZACQAIPSSA-N 2 0 294.483 2.902 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000290108311 381301814 /nfs/dbraw/zinc/30/18/14/381301814.db2.gz IKTUTRZTKIAEJO-RBSFLKMASA-N 2 0 294.439 2.701 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347655851 381279707 /nfs/dbraw/zinc/27/97/07/381279707.db2.gz ROIURORMMWBXAL-TXEJJXNPSA-N 2 0 267.442 2.683 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000347736322 381325973 /nfs/dbraw/zinc/32/59/73/381325973.db2.gz GDLRLGMFSMATDN-MAUKXSAKSA-N 2 0 289.467 2.567 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1C(C)(C)C1(C)C ZINC000354535828 381327040 /nfs/dbraw/zinc/32/70/40/381327040.db2.gz CTNKHHIVUXQYSG-AWEZNQCLSA-N 2 0 295.515 2.673 20 0 CFADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000183844798 381329171 /nfs/dbraw/zinc/32/91/71/381329171.db2.gz SKWSSEWWKJBYGD-HOTGVXAUSA-N 2 0 280.456 2.533 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CCC[NH+](CC)CC)CC1 ZINC000354553260 381336437 /nfs/dbraw/zinc/33/64/37/381336437.db2.gz USPRQDLOQPJISF-UHFFFAOYSA-N 2 0 298.471 2.820 20 0 CFADRP CC1(C)[C@H]([NH2+]CCn2ccnc2)C[C@@H]1OCc1ccccc1 ZINC000296299087 381337593 /nfs/dbraw/zinc/33/75/93/381337593.db2.gz PFJSHIYKFWKNNL-SJORKVTESA-N 2 0 299.418 2.857 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCn2ccnc2)C[C@@H]1OCc1ccccc1 ZINC000296299082 381338157 /nfs/dbraw/zinc/33/81/57/381338157.db2.gz PFJSHIYKFWKNNL-IRXDYDNUSA-N 2 0 299.418 2.857 20 0 CFADRP c1cc2nccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2s1 ZINC000369670742 381311068 /nfs/dbraw/zinc/31/10/68/381311068.db2.gz ACYNPVKDSLXYOQ-NWDGAFQWSA-N 2 0 273.405 2.757 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000290206039 381341470 /nfs/dbraw/zinc/34/14/70/381341470.db2.gz PNHOPBUSTOCPFD-RYQLBKOJSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347853458 381379712 /nfs/dbraw/zinc/37/97/12/381379712.db2.gz BWBHLVKTGUVJGQ-NEPJUHHUSA-N 2 0 267.442 2.825 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(F)ccc2F)C1 ZINC000290291775 381372412 /nfs/dbraw/zinc/37/24/12/381372412.db2.gz ALKNVPIHFYAVGD-MLGOLLRUSA-N 2 0 280.362 2.881 20 0 CFADRP C[C@@H]1COCCN1CCNc1cc[nH+]c2cc(F)ccc12 ZINC000354632692 381375167 /nfs/dbraw/zinc/37/51/67/381375167.db2.gz OFCNSVODSHURJU-GFCCVEGCSA-N 2 0 289.354 2.507 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000342577538 381408852 /nfs/dbraw/zinc/40/88/52/381408852.db2.gz LRDZCVNIDGPCBA-AWEZNQCLSA-N 2 0 296.842 2.992 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CCC[N@H+](C)CC3)c2c1 ZINC000296469184 381410490 /nfs/dbraw/zinc/41/04/90/381410490.db2.gz JUZYQBGNRHDAMI-UHFFFAOYSA-N 2 0 269.392 2.939 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccco2)[C@H](C)C1 ZINC000359432802 381411036 /nfs/dbraw/zinc/41/10/36/381411036.db2.gz WVFSSYLDXAROOY-WBVHZDCISA-N 2 0 294.439 2.549 20 0 CFADRP CCC1CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000342586718 381417372 /nfs/dbraw/zinc/41/73/72/381417372.db2.gz APKKWOWEEFDNCK-IUPXNIOVSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ncc(CN(C)C)s1 ZINC000347853473 381380540 /nfs/dbraw/zinc/38/05/40/381380540.db2.gz BWBHLVKTGUVJGQ-NWDGAFQWSA-N 2 0 267.442 2.825 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(NC(C)=O)cc1 ZINC000290373902 381401841 /nfs/dbraw/zinc/40/18/41/381401841.db2.gz HREHBRSCDPQPOM-UHFFFAOYSA-N 2 0 291.439 2.809 20 0 CFADRP c1[nH]c(-c2ccccc2)nc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370303695 381424827 /nfs/dbraw/zinc/42/48/27/381424827.db2.gz UMKDPHVWGWLOII-DOTOQJQBSA-N 2 0 296.418 2.793 20 0 CFADRP c1[nH]c(-c2ccccc2)nc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370303697 381425662 /nfs/dbraw/zinc/42/56/62/381425662.db2.gz UMKDPHVWGWLOII-RDJZCZTQSA-N 2 0 296.418 2.793 20 0 CFADRP Cc1ccc(F)c(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290494787 381450345 /nfs/dbraw/zinc/45/03/45/381450345.db2.gz OTWJSVHWVCYPMT-CJNGLKHVSA-N 2 0 264.388 2.906 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290456087 381434996 /nfs/dbraw/zinc/43/49/96/381434996.db2.gz MQLMBMKXQKDWSO-CZUORRHYSA-N 2 0 264.388 2.906 20 0 CFADRP COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000342623611 381440796 /nfs/dbraw/zinc/44/07/96/381440796.db2.gz HNQCAZHKLSTHTA-COXVUDFISA-N 2 0 276.424 2.729 20 0 CFADRP CCOc1ccc(C[N@H+](C)CCCn2ccnc2)cc1F ZINC000290405964 381417746 /nfs/dbraw/zinc/41/77/46/381417746.db2.gz JSBMPDMQWSGXRM-UHFFFAOYSA-N 2 0 291.370 2.943 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC000290409345 381418783 /nfs/dbraw/zinc/41/87/83/381418783.db2.gz JYCZEJWPQYWLBB-OAHLLOKOSA-N 2 0 264.438 2.912 20 0 CFADRP COCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370651541 381481883 /nfs/dbraw/zinc/48/18/83/381481883.db2.gz QVBHMZJTLPJRAH-UHFFFAOYSA-N 2 0 288.435 2.621 20 0 CFADRP CC[NH+](CC)CCOC1CCN(c2cc[nH+]cc2C)CC1 ZINC000359529522 381453125 /nfs/dbraw/zinc/45/31/25/381453125.db2.gz GCJQBZGVFIHVBV-UHFFFAOYSA-N 2 0 291.439 2.717 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])c2ccccc2C)c1 ZINC000296601355 381466256 /nfs/dbraw/zinc/46/62/56/381466256.db2.gz YJKZBNMQSFMCBG-QGZVFWFLSA-N 2 0 297.402 2.743 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290645563 381508537 /nfs/dbraw/zinc/50/85/37/381508537.db2.gz YTCYFPVJDMMDGI-QGZVFWFLSA-N 2 0 288.435 2.859 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290649394 381509454 /nfs/dbraw/zinc/50/94/54/381509454.db2.gz YZOPMWPLXJDCCM-FUZMGVLZSA-N 2 0 288.435 2.980 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CC2CCCC2)CC1 ZINC000354898309 381512750 /nfs/dbraw/zinc/51/27/50/381512750.db2.gz SNQCGFYXHSKNPW-KRWDZBQOSA-N 2 0 282.472 2.732 20 0 CFADRP CC[NH+](CC)CCCNCc1ccc(C(C)(C)O)cc1 ZINC000296706434 381514515 /nfs/dbraw/zinc/51/45/15/381514515.db2.gz LLRRBAHBVAGFEB-UHFFFAOYSA-N 2 0 278.440 2.736 20 0 CFADRP CC[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)OC ZINC000412979798 381516635 /nfs/dbraw/zinc/51/66/35/381516635.db2.gz VVCSHSHLMGEHFR-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348340745 381518357 /nfs/dbraw/zinc/51/83/57/381518357.db2.gz XMQNHZAPWYEWSK-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H](C)[N@H+](C)CCNc1ccnc2ccncc21 ZINC000290672167 381518694 /nfs/dbraw/zinc/51/86/94/381518694.db2.gz RHTIQWISVLFWCW-GFCCVEGCSA-N 2 0 258.369 2.772 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000342700447 381488039 /nfs/dbraw/zinc/48/80/39/381488039.db2.gz QTYZARJWFHYFDO-JKSUJKDBSA-N 2 0 284.488 2.884 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1Cl ZINC000342702141 381488528 /nfs/dbraw/zinc/48/85/28/381488528.db2.gz TZMYDOPPYZKJOC-LLVKDONJSA-N 2 0 297.830 2.736 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000342703843 381489446 /nfs/dbraw/zinc/48/94/46/381489446.db2.gz QRCTUFYYWBNACW-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccsc1Cl ZINC000359668696 381544590 /nfs/dbraw/zinc/54/45/90/381544590.db2.gz CJNDSRKZGBHHSE-UHFFFAOYSA-N 2 0 290.860 2.850 20 0 CFADRP CC(C)[NH+](CCSCC[N@@H+]1CCCOCC1)C(C)C ZINC000412994609 381525907 /nfs/dbraw/zinc/52/59/07/381525907.db2.gz BGBLSKRVCZZEPH-UHFFFAOYSA-N 2 0 288.501 2.561 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354987671 381552211 /nfs/dbraw/zinc/55/22/11/381552211.db2.gz ILYYYJFRVAMUSX-IJLUTSLNSA-N 2 0 264.335 2.934 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000348366471 381535539 /nfs/dbraw/zinc/53/55/39/381535539.db2.gz BOFYMTLDSUBGSO-TWMKSMIVSA-N 2 0 294.483 2.779 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000348366470 381535780 /nfs/dbraw/zinc/53/57/80/381535780.db2.gz BOFYMTLDSUBGSO-QZWWFDLISA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342838506 381577591 /nfs/dbraw/zinc/57/75/91/381577591.db2.gz OSIDWPWGKDDNGA-GDBMZVCRSA-N 2 0 288.435 2.905 20 0 CFADRP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCCC1 ZINC000359721565 381578828 /nfs/dbraw/zinc/57/88/28/381578828.db2.gz OQQGDJJALNBTAM-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP CCOCC(C)(C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297365695 381558639 /nfs/dbraw/zinc/55/86/39/381558639.db2.gz HCSWBGTUGULLTM-UHFFFAOYSA-N 2 0 291.439 2.703 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(O)CCC3)CC2)C1 ZINC000342811366 381561203 /nfs/dbraw/zinc/56/12/03/381561203.db2.gz DQDSSWBRXPDVSY-WBVHZDCISA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000414713340 381599313 /nfs/dbraw/zinc/59/93/13/381599313.db2.gz OWIGDOWUZCLMDJ-YNEHKIRRSA-N 2 0 267.442 2.567 20 0 CFADRP CCN(CC)CC[N@H+](CC(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414697333 381601046 /nfs/dbraw/zinc/60/10/46/381601046.db2.gz GVYZQUMQFUYVBX-IRXDYDNUSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000414738267 381602811 /nfs/dbraw/zinc/60/28/11/381602811.db2.gz HUVXSTGNZBFRBD-WOPDTQHZSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC[NH2+]1 ZINC000414749208 381603125 /nfs/dbraw/zinc/60/31/25/381603125.db2.gz XVBXOPZRTAOKAS-LSDHHAIUSA-N 2 0 270.420 2.922 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000414775985 381604828 /nfs/dbraw/zinc/60/48/28/381604828.db2.gz DVPUBSHQHZWCTB-GFCCVEGCSA-N 2 0 298.377 2.951 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000414786662 381604958 /nfs/dbraw/zinc/60/49/58/381604958.db2.gz XNQCAIZAKOSTSL-LLVKDONJSA-N 2 0 286.341 2.978 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414787721 381605103 /nfs/dbraw/zinc/60/51/03/381605103.db2.gz CLGZFZLZXLWGSN-ILDUYXDCSA-N 2 0 252.324 2.680 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414787722 381605337 /nfs/dbraw/zinc/60/53/37/381605337.db2.gz CLGZFZLZXLWGSN-VQXHTEKXSA-N 2 0 252.324 2.680 20 0 CFADRP Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371289379 381584218 /nfs/dbraw/zinc/58/42/18/381584218.db2.gz KLGZCPSQQHZXNF-OKZBNKHCSA-N 2 0 288.435 2.679 20 0 CFADRP Cc1cnc([C@@H](NCC[C@H]2CCC[N@H+]2C)C2CC2)s1 ZINC000185282973 381585946 /nfs/dbraw/zinc/58/59/46/381585946.db2.gz KJIVDNODWVTNHY-KGLIPLIRSA-N 2 0 279.453 2.977 20 0 CFADRP CCN(C)CC[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000185282671 381586749 /nfs/dbraw/zinc/58/67/49/381586749.db2.gz LPOGSIIFSJIJGY-ZDUSSCGKSA-N 2 0 282.403 2.554 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)CCCC1 ZINC000414620019 381596097 /nfs/dbraw/zinc/59/60/97/381596097.db2.gz OVMNTGRCKHRXOF-ZDUSSCGKSA-N 2 0 290.411 2.877 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000414805809 381608470 /nfs/dbraw/zinc/60/84/70/381608470.db2.gz PUMJIZCHZVGADI-UKRRQHHQSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc2c(s1)CCC2 ZINC000355108229 381614710 /nfs/dbraw/zinc/61/47/10/381614710.db2.gz AHANYQVSVMNKTB-AVGNSLFASA-N 2 0 291.464 2.909 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(-c2ccnn2C)c1 ZINC000414928263 381617679 /nfs/dbraw/zinc/61/76/79/381617679.db2.gz AODCOPMTABQLPV-ZBFHGGJFSA-N 2 0 298.434 2.626 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000355110855 381618146 /nfs/dbraw/zinc/61/81/46/381618146.db2.gz CLNQCFCPXZOYGL-ZACQAIPSSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCOc2ccccc2)CC[NH2+]1 ZINC000414927826 381618505 /nfs/dbraw/zinc/61/85/05/381618505.db2.gz ABQRLHBOZHFBGM-LSDHHAIUSA-N 2 0 262.397 2.576 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000342929918 381621802 /nfs/dbraw/zinc/62/18/02/381621802.db2.gz SJULIADCXNKNNO-CAOSSQGBSA-N 2 0 268.445 2.606 20 0 CFADRP CSc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000298435306 381623995 /nfs/dbraw/zinc/62/39/95/381623995.db2.gz XNTMVMHLWAGIEP-ZFWWWQNUSA-N 2 0 294.464 2.516 20 0 CFADRP COc1ccc(F)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000290996211 381625278 /nfs/dbraw/zinc/62/52/78/381625278.db2.gz ARVFXJKFWIUNAD-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000414941979 381634041 /nfs/dbraw/zinc/63/40/41/381634041.db2.gz DEKNQWDCEMHNJU-DDHJBXDOSA-N 2 0 264.335 2.838 20 0 CFADRP CCC[C@H](C[NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414945288 381636002 /nfs/dbraw/zinc/63/60/02/381636002.db2.gz PWMDCCSSMHRVBE-MSOLQXFVSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCOCC1 ZINC000355137210 381637625 /nfs/dbraw/zinc/63/76/25/381637625.db2.gz QMIVUMBUWXQMQO-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2c(s1)CCC2 ZINC000355127663 381631258 /nfs/dbraw/zinc/63/12/58/381631258.db2.gz VURPGVYZPRKWMX-SDDRHHMPSA-N 2 0 279.453 2.765 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414940462 381631604 /nfs/dbraw/zinc/63/16/04/381631604.db2.gz BNDULUSKFHWFSO-HIFRSBDPSA-N 2 0 262.397 2.704 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2ccccc2F)CCC[NH2+]1 ZINC000414955437 381647538 /nfs/dbraw/zinc/64/75/38/381647538.db2.gz NAECPLBHCWEXRU-YOEHRIQHSA-N 2 0 294.414 2.505 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414956215 381649514 /nfs/dbraw/zinc/64/95/14/381649514.db2.gz UZQIWYWNHAWGPG-ZBFHGGJFSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946754 381638800 /nfs/dbraw/zinc/63/88/00/381638800.db2.gz KCLNHLONBCLJRX-IOASZLSFSA-N 2 0 264.388 2.877 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414949587 381641060 /nfs/dbraw/zinc/64/10/60/381641060.db2.gz NUFWDUVEGAFIDC-CZUORRHYSA-N 2 0 284.407 2.615 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414961683 381656862 /nfs/dbraw/zinc/65/68/62/381656862.db2.gz BTHDHAXEODWERQ-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414961547 381657016 /nfs/dbraw/zinc/65/70/16/381657016.db2.gz IPUOEWHQPPIBQE-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414961930 381658051 /nfs/dbraw/zinc/65/80/51/381658051.db2.gz RXAPSNVANDMFOF-PBHICJAKSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414961996 381658077 /nfs/dbraw/zinc/65/80/77/381658077.db2.gz RZRSUCFAJBXKTN-DJIMGWMZSA-N 2 0 260.425 2.985 20 0 CFADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414965969 381662184 /nfs/dbraw/zinc/66/21/84/381662184.db2.gz BGPJQAWUORXLKI-HUUCEWRRSA-N 2 0 270.461 2.807 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)o1 ZINC000414969775 381665741 /nfs/dbraw/zinc/66/57/41/381665741.db2.gz JMCSTXXROPPYKC-AWEZNQCLSA-N 2 0 288.395 2.600 20 0 CFADRP CCCc1csc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000414970632 381667677 /nfs/dbraw/zinc/66/76/77/381667677.db2.gz VOBFONANBGLXGA-GFCCVEGCSA-N 2 0 267.442 2.717 20 0 CFADRP COCC1(C[NH2+]Cc2coc3ccccc23)CC[NH2+]CC1 ZINC000414972265 381667860 /nfs/dbraw/zinc/66/78/60/381667860.db2.gz JRSAIKNQZVEUKU-UHFFFAOYSA-N 2 0 288.391 2.539 20 0 CFADRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1C ZINC000414973228 381669442 /nfs/dbraw/zinc/66/94/42/381669442.db2.gz ZAFOIERMTCGIDS-HNNXBMFYSA-N 2 0 262.397 2.625 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1OC ZINC000414977255 381671067 /nfs/dbraw/zinc/67/10/67/381671067.db2.gz QVWWXUOOZPFLFJ-INIZCTEOSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414958023 381650860 /nfs/dbraw/zinc/65/08/60/381650860.db2.gz CPVVXEWAWFYPEE-QWRGUYRKSA-N 2 0 252.324 2.839 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414957569 381652317 /nfs/dbraw/zinc/65/23/17/381652317.db2.gz WBFCACQVILLUEQ-CMPLNLGQSA-N 2 0 288.313 2.815 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1Br ZINC000414960228 381653358 /nfs/dbraw/zinc/65/33/58/381653358.db2.gz XZNZKLVNWFMSEG-DGCLKSJQSA-N 2 0 297.240 2.988 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000414960146 381653481 /nfs/dbraw/zinc/65/34/81/381653481.db2.gz AEVBMQASBKISRU-MRXNPFEDSA-N 2 0 276.424 2.823 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414959084 381653764 /nfs/dbraw/zinc/65/37/64/381653764.db2.gz PKCOTQZYEWQLQG-GUYCJALGSA-N 2 0 284.403 2.936 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000415013618 381708389 /nfs/dbraw/zinc/70/83/89/381708389.db2.gz YOXGFYCPCLACTC-HOTGVXAUSA-N 2 0 276.424 2.953 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014284 381708705 /nfs/dbraw/zinc/70/87/05/381708705.db2.gz WJTRNNNJEFNLOB-APRRPJGKSA-N 2 0 256.393 2.678 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415016584 381710234 /nfs/dbraw/zinc/71/02/34/381710234.db2.gz PXSBPLVILLPSCB-NSHDSACASA-N 2 0 272.339 2.895 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)CCC[NH3+])s2)o1 ZINC000415018014 381711156 /nfs/dbraw/zinc/71/11/56/381711156.db2.gz GDRUNBOYYKQTQG-SNVBAGLBSA-N 2 0 279.409 2.929 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000415017717 381711254 /nfs/dbraw/zinc/71/12/54/381711254.db2.gz FTQDGHBKBXZLNH-CQSZACIVSA-N 2 0 269.392 2.966 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000291219513 381711498 /nfs/dbraw/zinc/71/14/98/381711498.db2.gz NIFWBDAKEYSYGY-BBRMVZONSA-N 2 0 274.408 2.701 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415016933 381711519 /nfs/dbraw/zinc/71/15/19/381711519.db2.gz QUBIYBRTKRPFSD-CYBMUJFWSA-N 2 0 250.386 2.692 20 0 CFADRP COc1ccc2nc(C[NH2+][C@@H](C)CCCC[NH3+])sc2c1 ZINC000415016949 381711999 /nfs/dbraw/zinc/71/19/99/381711999.db2.gz QXQPPLZTPRRBHJ-NSHDSACASA-N 2 0 293.436 2.912 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415018537 381713128 /nfs/dbraw/zinc/71/31/28/381713128.db2.gz UIGJXURAFLFXCQ-GFCCVEGCSA-N 2 0 280.460 2.862 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415018613 381713214 /nfs/dbraw/zinc/71/32/14/381713214.db2.gz UPEOGHUYRYLZJR-STQMWFEESA-N 2 0 295.402 2.650 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371869705 381714069 /nfs/dbraw/zinc/71/40/69/381714069.db2.gz JYQLEVWFFVAULI-KRWDZBQOSA-N 2 0 295.515 2.772 20 0 CFADRP CCC1CCC([NH2+]CC2(COC)CC[NH2+]CC2)CC1 ZINC000414982493 381678060 /nfs/dbraw/zinc/67/80/60/381678060.db2.gz YFTQCJLZHOFPSE-UHFFFAOYSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000414986415 381679236 /nfs/dbraw/zinc/67/92/36/381679236.db2.gz CIIVRKSBGOCDCP-HBRFGZKUSA-N 2 0 262.372 2.946 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414991011 381684642 /nfs/dbraw/zinc/68/46/42/381684642.db2.gz PVLZVWPHCPOZIE-GWCFXTLKSA-N 2 0 274.330 2.963 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414992729 381684747 /nfs/dbraw/zinc/68/47/47/381684747.db2.gz BZRNULDFZLHSAF-LLLHUVSDSA-N 2 0 258.409 2.897 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000371723332 381686633 /nfs/dbraw/zinc/68/66/33/381686633.db2.gz JUYYFNUBLDIDBK-MSOLQXFVSA-N 2 0 281.403 2.864 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CCC[NH3+])cc2cccnc12 ZINC000415024313 381716599 /nfs/dbraw/zinc/71/65/99/381716599.db2.gz OSDDLPLUVQEDJL-CYBMUJFWSA-N 2 0 257.381 2.760 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414996952 381688761 /nfs/dbraw/zinc/68/87/61/381688761.db2.gz GWGOICDQJGHJFG-HOTGVXAUSA-N 2 0 298.434 2.788 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1C ZINC000414996173 381688973 /nfs/dbraw/zinc/68/89/73/381688973.db2.gz GFJDLHGVIXZQOQ-ZFWWWQNUSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000414997008 381690091 /nfs/dbraw/zinc/69/00/91/381690091.db2.gz GZSFTEKMLYTUTA-KFWWJZLASA-N 2 0 278.444 2.502 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC3CC[NH+](CCO)CC3)c2c1 ZINC000185643046 381691170 /nfs/dbraw/zinc/69/11/70/381691170.db2.gz YVPBQDCGQPBJJG-UHFFFAOYSA-N 2 0 299.418 2.659 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000415023989 381716922 /nfs/dbraw/zinc/71/69/22/381716922.db2.gz MJEFNGPNIABGSS-HAQNSBGRSA-N 2 0 268.351 2.820 20 0 CFADRP CCCOc1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000415002379 381694462 /nfs/dbraw/zinc/69/44/62/381694462.db2.gz DEYJRCPRMVGJGV-OLZOCXBDSA-N 2 0 280.412 2.699 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000359951193 381696763 /nfs/dbraw/zinc/69/67/63/381696763.db2.gz YOCZDYAKXPKVLJ-IKGGRYGDSA-N 3 0 281.488 2.571 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000415008543 381701662 /nfs/dbraw/zinc/70/16/62/381701662.db2.gz MUIIGBPOXRIVMA-YESZJQIVSA-N 2 0 290.838 2.785 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000415012841 381706046 /nfs/dbraw/zinc/70/60/46/381706046.db2.gz XSDUMYIWJDBZLA-USXIJHARSA-N 2 0 260.425 2.972 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000415012282 381706734 /nfs/dbraw/zinc/70/67/34/381706734.db2.gz SDRHPUCKRBCDAF-RBUKOAKNSA-N 2 0 299.462 2.633 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCC[C@H](C)O)CC1 ZINC000355257087 381706916 /nfs/dbraw/zinc/70/69/16/381706916.db2.gz IJEZAZIQMMJLQR-INIZCTEOSA-N 2 0 284.488 2.981 20 0 CFADRP CC(C)[C@H]1C[C@H](C[NH2+][C@H](C)CCCC[NH3+])CCO1 ZINC000415012162 381706906 /nfs/dbraw/zinc/70/69/06/381706906.db2.gz IUVCANHDUCUART-RBSFLKMASA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000415013617 381707655 /nfs/dbraw/zinc/70/76/55/381707655.db2.gz YOXGFYCPCLACTC-CVEARBPZSA-N 2 0 276.424 2.953 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000415039400 381728308 /nfs/dbraw/zinc/72/83/08/381728308.db2.gz OCRPDNSYMUHZGK-AAEUAGOBSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000415039304 381728334 /nfs/dbraw/zinc/72/83/34/381728334.db2.gz NVSORMLBSXGARI-JQWIXIFHSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000415038890 381728766 /nfs/dbraw/zinc/72/87/66/381728766.db2.gz NUIGPZKSNOGCNY-TZMCWYRMSA-N 2 0 271.364 2.559 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000415042801 381730373 /nfs/dbraw/zinc/73/03/73/381730373.db2.gz RFCPEMWBZBGTSO-YOEHRIQHSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415045143 381732686 /nfs/dbraw/zinc/73/26/86/381732686.db2.gz TZJLQELTWZPEJT-IVMMDQJWSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)C[C@@]1(C)C[NH3+] ZINC000415049464 381734718 /nfs/dbraw/zinc/73/47/18/381734718.db2.gz AQGMQNNLRRLTJB-RDTXWAMCSA-N 2 0 288.435 2.892 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415048725 381734867 /nfs/dbraw/zinc/73/48/67/381734867.db2.gz XGVKJQJGIBGYHJ-DZGCQCFKSA-N 2 0 262.397 2.691 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415049262 381735126 /nfs/dbraw/zinc/73/51/26/381735126.db2.gz XRIFEEIXEXFNFG-DZGCQCFKSA-N 2 0 292.423 2.701 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000415052898 381738363 /nfs/dbraw/zinc/73/83/63/381738363.db2.gz LXNGYTCRSVEBLJ-ZFWWWQNUSA-N 2 0 264.438 2.809 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000415055369 381740554 /nfs/dbraw/zinc/74/05/54/381740554.db2.gz OOYTXYFYNXUDNZ-JKSUJKDBSA-N 2 0 262.397 2.625 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415055660 381740983 /nfs/dbraw/zinc/74/09/83/381740983.db2.gz RIJYZGLGHCMGSR-ZWKOTPCHSA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057838 381742254 /nfs/dbraw/zinc/74/22/54/381742254.db2.gz UMYWXVDNXLAIKH-WLTZEOLESA-N 2 0 274.408 2.625 20 0 CFADRP C[N@H+](Cc1cccc2c[nH]nc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348866662 381744518 /nfs/dbraw/zinc/74/45/18/381744518.db2.gz GWXYWWGAIVOUIU-XYPWUTKMSA-N 2 0 284.407 2.620 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1OC(F)F ZINC000415058884 381745561 /nfs/dbraw/zinc/74/55/61/381745561.db2.gz IXYSMJQNNHAYFD-SNVBAGLBSA-N 2 0 288.338 2.514 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060746 381747499 /nfs/dbraw/zinc/74/74/99/381747499.db2.gz XLJCYEHVUQDTCR-MRLCAUJQSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC[NH2+]C3CC3)CC2)C1 ZINC000415064515 381749015 /nfs/dbraw/zinc/74/90/15/381749015.db2.gz CTQARENILJUNPD-MAUKXSAKSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000372093443 381750240 /nfs/dbraw/zinc/75/02/40/381750240.db2.gz FFDZPYUGDOQLTQ-IAGOWNOFSA-N 2 0 280.456 2.654 20 0 CFADRP c1ccc(OCCCC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415066019 381750978 /nfs/dbraw/zinc/75/09/78/381750978.db2.gz AGFXFBKTSNOLNJ-HNNXBMFYSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2ncccc2c1 ZINC000415064902 381751591 /nfs/dbraw/zinc/75/15/91/381751591.db2.gz QQVBNQNKELNFHV-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OC(C)C ZINC000415070618 381757087 /nfs/dbraw/zinc/75/70/87/381757087.db2.gz YHWCEXBNFMQJLO-ZDUSSCGKSA-N 2 0 280.412 2.699 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415024801 381718564 /nfs/dbraw/zinc/71/85/64/381718564.db2.gz PPDULMBRDCMYBX-CYBMUJFWSA-N 2 0 250.386 2.692 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415024985 381718624 /nfs/dbraw/zinc/71/86/24/381718624.db2.gz OPGWAWKNSDFCCO-KLHDSHLOSA-N 2 0 268.445 2.545 20 0 CFADRP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000415027452 381719357 /nfs/dbraw/zinc/71/93/57/381719357.db2.gz WIDJKWCLASKKFF-JCNLHEQBSA-N 2 0 275.440 2.677 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000415027960 381720270 /nfs/dbraw/zinc/72/02/70/381720270.db2.gz XNJJWRJMLZAVRQ-LBPRGKRZSA-N 2 0 292.814 2.743 20 0 CFADRP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029732 381721661 /nfs/dbraw/zinc/72/16/61/381721661.db2.gz BIYCNMMUJGSIIX-ROUUACIJSA-N 2 0 290.451 2.756 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)s2)o1 ZINC000415032205 381723062 /nfs/dbraw/zinc/72/30/62/381723062.db2.gz HREGVFTYCNIDCZ-VXGBXAGGSA-N 2 0 291.420 2.929 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000415031981 381723307 /nfs/dbraw/zinc/72/33/07/381723307.db2.gz HPAHHSPWQOWJLD-CABZTGNLSA-N 2 0 256.752 2.696 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415035037 381724315 /nfs/dbraw/zinc/72/43/15/381724315.db2.gz KJVCLVBDPILOIR-DGCLKSJQSA-N 2 0 282.815 2.956 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415036050 381724686 /nfs/dbraw/zinc/72/46/86/381724686.db2.gz LDXYEAPEZAFPIO-LSDHHAIUSA-N 2 0 262.397 2.691 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415034779 381724833 /nfs/dbraw/zinc/72/48/33/381724833.db2.gz DBUKTCJRNUHZFX-ROUUACIJSA-N 2 0 287.451 2.787 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415037312 381725812 /nfs/dbraw/zinc/72/58/12/381725812.db2.gz KWWYTTVPTAMOEF-GDBMZVCRSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc2c1CCCN2 ZINC000415037593 381725852 /nfs/dbraw/zinc/72/58/52/381725852.db2.gz OYYMUXOHEWKKJY-DZGCQCFKSA-N 2 0 273.424 2.665 20 0 CFADRP CC(C)C[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415037205 381725868 /nfs/dbraw/zinc/72/58/68/381725868.db2.gz MNCVHXDOPZRVGR-NCOADZHNSA-N 2 0 258.409 2.624 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415038124 381726206 /nfs/dbraw/zinc/72/62/06/381726206.db2.gz HJPFDWDKGRSLDK-DOTOQJQBSA-N 2 0 258.409 2.959 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415038126 381726352 /nfs/dbraw/zinc/72/63/52/381726352.db2.gz HJPFDWDKGRSLDK-RDJZCZTQSA-N 2 0 258.409 2.959 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000415037837 381726377 /nfs/dbraw/zinc/72/63/77/381726377.db2.gz MQCZUJXSFASRSS-HOTGVXAUSA-N 2 0 274.408 2.692 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415036537 381726994 /nfs/dbraw/zinc/72/69/94/381726994.db2.gz LLKGCTCCONXIKS-HZPDHXFCSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000415099236 381781361 /nfs/dbraw/zinc/78/13/61/381781361.db2.gz GMAUOOFFVRMFOM-WWDZGPRUSA-N 3 0 295.515 2.993 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415100398 381781708 /nfs/dbraw/zinc/78/17/08/381781708.db2.gz AEDFSYVFZONODX-OCCSQVGLSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415104209 381783641 /nfs/dbraw/zinc/78/36/41/381783641.db2.gz KVDOQHZQPMSXBE-QAPCUYQASA-N 2 0 298.434 2.552 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415102813 381783827 /nfs/dbraw/zinc/78/38/27/381783827.db2.gz JXVMWRVWPIJQJF-MSOLQXFVSA-N 2 0 289.467 2.801 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415107885 381786367 /nfs/dbraw/zinc/78/63/67/381786367.db2.gz PPSSRGHTFGVWDA-RYUDHWBXSA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)([NH3+])CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000415112667 381788312 /nfs/dbraw/zinc/78/83/12/381788312.db2.gz DBGBRZDTAMRJTF-UHFFFAOYSA-N 2 0 289.467 2.890 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)N(CCC[NH3+])c1cccc(F)c1 ZINC000415113182 381788947 /nfs/dbraw/zinc/78/89/47/381788947.db2.gz DRZWHGHADMDBKG-HIFRSBDPSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N(CCC[NH3+])c1cccc(F)c1 ZINC000415113186 381789131 /nfs/dbraw/zinc/78/91/31/381789131.db2.gz DRZWHGHADMDBKG-ZFWWWQNUSA-N 2 0 279.403 2.512 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415122438 381792134 /nfs/dbraw/zinc/79/21/34/381792134.db2.gz IGGIKMXOOJQDCA-GDBMZVCRSA-N 2 0 298.434 2.597 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc1F ZINC000415121676 381792199 /nfs/dbraw/zinc/79/21/99/381792199.db2.gz ZDLZDEZVDRHBNS-TZMCWYRMSA-N 2 0 250.361 2.754 20 0 CFADRP c1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000415120131 381792661 /nfs/dbraw/zinc/79/26/61/381792661.db2.gz IROKIJTUTIIDHP-RDJZCZTQSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415123866 381794215 /nfs/dbraw/zinc/79/42/15/381794215.db2.gz JVIFKQLAIAOXCG-IUODEOHRSA-N 2 0 292.471 2.672 20 0 CFADRP C[C@H]1CC[N@H+](CCSCc2ccccc2)C[C@H]1C[NH3+] ZINC000415125367 381794587 /nfs/dbraw/zinc/79/45/87/381794587.db2.gz LARGPAFAKVHNOT-GOEBONIOSA-N 2 0 278.465 2.837 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000360969655 381798109 /nfs/dbraw/zinc/79/81/09/381798109.db2.gz JGXLAENYZXRUPO-AWEZNQCLSA-N 2 0 252.427 2.564 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000415074748 381760582 /nfs/dbraw/zinc/76/05/82/381760582.db2.gz ASPDTAMWFSYUAX-BRWVUGGUSA-N 2 0 287.451 2.633 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)ccc1C ZINC000415075113 381760697 /nfs/dbraw/zinc/76/06/97/381760697.db2.gz BBUCGVFZESIKIL-GDBMZVCRSA-N 2 0 276.424 2.666 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415075926 381760885 /nfs/dbraw/zinc/76/08/85/381760885.db2.gz FZIBZJMHLSYKDZ-PMPSAXMXSA-N 2 0 276.424 2.740 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415074807 381761671 /nfs/dbraw/zinc/76/16/71/381761671.db2.gz PVRGCXLMXQFZJL-GOEBONIOSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000415079378 381765574 /nfs/dbraw/zinc/76/55/74/381765574.db2.gz JZYVHMLOOSSKQG-FVQBIDKESA-N 2 0 258.409 2.837 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000343518289 381767801 /nfs/dbraw/zinc/76/78/01/381767801.db2.gz SWGVQTHQBQHRBD-UHFFFAOYSA-N 2 0 292.471 2.936 20 0 CFADRP Cc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)c(C)c1 ZINC000415083481 381769128 /nfs/dbraw/zinc/76/91/28/381769128.db2.gz FPGIBLPBHDEXCN-UHFFFAOYSA-N 2 0 260.425 2.953 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000415083784 381769300 /nfs/dbraw/zinc/76/93/00/381769300.db2.gz NVBUGNCVVWIRIH-DGCLKSJQSA-N 2 0 282.815 2.826 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415083911 381769540 /nfs/dbraw/zinc/76/95/40/381769540.db2.gz OCLCNKOBRIGNET-BBWFWOEESA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415084630 381769662 /nfs/dbraw/zinc/76/96/62/381769662.db2.gz HAYGPJNFUYMDAX-XJKSGUPXSA-N 2 0 294.414 2.718 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415131703 381799337 /nfs/dbraw/zinc/79/93/37/381799337.db2.gz ZGPFZDKGLGXQBT-CQSZACIVSA-N 2 0 261.413 2.611 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415084128 381769871 /nfs/dbraw/zinc/76/98/71/381769871.db2.gz RAODKFDMULVMDE-XQQFMLRXSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415085319 381770772 /nfs/dbraw/zinc/77/07/72/381770772.db2.gz SIHHCVCHSZKXOQ-BFHYXJOUSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CCO)CCCC1 ZINC000415085173 381770839 /nfs/dbraw/zinc/77/08/39/381770839.db2.gz QJTDOWYRZKAOKR-JKSUJKDBSA-N 2 0 282.472 2.830 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415085697 381772112 /nfs/dbraw/zinc/77/21/12/381772112.db2.gz RAAXDQOCNRASDO-GRAKBVBRSA-N 2 0 282.472 2.935 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cnn(-c3ccccc3)c2)CC1 ZINC000415087201 381773703 /nfs/dbraw/zinc/77/37/03/381773703.db2.gz UEYKNWOJQRVRTH-UHFFFAOYSA-N 2 0 298.434 2.522 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000415089850 381775727 /nfs/dbraw/zinc/77/57/27/381775727.db2.gz YHEYTDXDPPQPJG-BDAKNGLRSA-N 2 0 293.358 2.640 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415088749 381775824 /nfs/dbraw/zinc/77/58/24/381775824.db2.gz XUCPINOXMIHMPC-OAHLLOKOSA-N 2 0 264.413 2.727 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415089929 381775897 /nfs/dbraw/zinc/77/58/97/381775897.db2.gz ODHRQNKBCFFPJD-CQSZACIVSA-N 2 0 297.240 2.847 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCCCO)CC1 ZINC000372219713 381776200 /nfs/dbraw/zinc/77/62/00/381776200.db2.gz ZJEICYPNGBXFLH-GOSISDBHSA-N 2 0 290.451 2.745 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129962 381799830 /nfs/dbraw/zinc/79/98/30/381799830.db2.gz VUYIWPSDODJFSN-JKSUJKDBSA-N 2 0 268.445 2.641 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000415091998 381777646 /nfs/dbraw/zinc/77/76/46/381777646.db2.gz RQVPVNNZOOOVLP-MRXNPFEDSA-N 2 0 298.434 2.578 20 0 CFADRP Fc1ccc(CC[NH2+]CC2CC[NH2+]CC2)c(Cl)c1 ZINC000415094718 381779439 /nfs/dbraw/zinc/77/94/39/381779439.db2.gz XVMVZFDLFSFFTN-UHFFFAOYSA-N 2 0 270.779 2.611 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1c(C)noc1C ZINC000415092915 381779990 /nfs/dbraw/zinc/77/99/90/381779990.db2.gz UIOCIJBDHCUMRF-WXRRBKDZSA-N 2 0 251.374 2.602 20 0 CFADRP C[NH+](C)CCOC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000356225565 381832557 /nfs/dbraw/zinc/83/25/57/381832557.db2.gz PRTQTXZSNFZVGN-UHFFFAOYSA-N 2 0 299.418 2.782 20 0 CFADRP Cc1ccc(CCC[N@H+]2CC[C@@H](c3nccn3C)C2)cn1 ZINC000349151858 381838398 /nfs/dbraw/zinc/83/83/98/381838398.db2.gz OQTCFXHPWXJPPN-MRXNPFEDSA-N 2 0 284.407 2.546 20 0 CFADRP COC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCC1 ZINC000361550628 381843124 /nfs/dbraw/zinc/84/31/24/381843124.db2.gz FWCXWWFOZHUVPZ-INIZCTEOSA-N 2 0 280.456 2.896 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000415136556 381801470 /nfs/dbraw/zinc/80/14/70/381801470.db2.gz XFZUSMYYSTZPJF-VXGBXAGGSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415137124 381804007 /nfs/dbraw/zinc/80/40/07/381804007.db2.gz XQHVUMRYHPXCBN-HOCLYGCPSA-N 2 0 298.434 2.504 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349195636 381843911 /nfs/dbraw/zinc/84/39/11/381843911.db2.gz TXULITOIRIYQSL-MRXNPFEDSA-N 2 0 290.455 2.628 20 0 CFADRP OCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000372419861 381813000 /nfs/dbraw/zinc/81/30/00/381813000.db2.gz FIZXXSAJZPKPPA-WMLDXEAASA-N 2 0 280.456 2.534 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000343581974 381813640 /nfs/dbraw/zinc/81/36/40/381813640.db2.gz QAJIZSCQYTYDML-UHFFFAOYSA-N 2 0 292.471 2.591 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361322685 381820025 /nfs/dbraw/zinc/82/00/25/381820025.db2.gz YOJBIXNFVXLNSX-BPQIPLTHSA-N 2 0 294.483 2.732 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCc1ccccn1)CC2)C1CC1 ZINC000372841007 381879274 /nfs/dbraw/zinc/87/92/74/381879274.db2.gz LWGSTVKABWBGEV-MRXNPFEDSA-N 2 0 299.462 2.820 20 0 CFADRP C[C@@]12CC[N@H+](Cc3cccc4nccn43)C[C@@H]1C2(F)F ZINC000292845925 381860932 /nfs/dbraw/zinc/86/09/32/381860932.db2.gz SRXFWNGWSQEYQQ-GXTWGEPZSA-N 2 0 277.318 2.811 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(O)cc(F)c1 ZINC000186242660 381861090 /nfs/dbraw/zinc/86/10/90/381861090.db2.gz CKSCADMTGZXKGU-HNNXBMFYSA-N 2 0 280.387 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(O)cc(F)c2)[C@H](C)C1 ZINC000186240781 381861378 /nfs/dbraw/zinc/86/13/78/381861378.db2.gz PWEDIWQMXRWIDA-WBMJQRKESA-N 2 0 280.387 2.693 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356779821 381866813 /nfs/dbraw/zinc/86/68/13/381866813.db2.gz IHJIXLNPNXZEET-QMTHXVAHSA-N 2 0 286.341 2.576 20 0 CFADRP Cc1cccc(NC2CC[NH+](CCOCC(C)C)CC2)n1 ZINC000372811224 381873759 /nfs/dbraw/zinc/87/37/59/381873759.db2.gz CDCQUNVNZWGRAK-UHFFFAOYSA-N 2 0 291.439 2.939 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000372809595 381874491 /nfs/dbraw/zinc/87/44/91/381874491.db2.gz ZBGZVKBEUFKXTA-QGZVFWFLSA-N 2 0 275.440 2.678 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCOC1 ZINC000356901900 381896608 /nfs/dbraw/zinc/89/66/08/381896608.db2.gz QMMGQLXNXDZHCF-RRFJBIMHSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCC1CCCC1 ZINC000349350085 381901072 /nfs/dbraw/zinc/90/10/72/381901072.db2.gz BTKZSTWKCXJAIQ-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1ccc(C(=O)OC)cc1 ZINC000349364113 381908690 /nfs/dbraw/zinc/90/86/90/381908690.db2.gz FSBANFWVZVMEFZ-UHFFFAOYSA-N 2 0 292.423 2.637 20 0 CFADRP CC[C@H]1C[C@H](C[N@H+](C)C2CCN(CC)CC2)CCO1 ZINC000356934209 381911265 /nfs/dbraw/zinc/91/12/65/381911265.db2.gz YKSUPUIIMHBCCX-ZBFHGGJFSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000186437321 381911526 /nfs/dbraw/zinc/91/15/26/381911526.db2.gz IKQSIOPGCHXDEC-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)CC1(OC)CCCCC1 ZINC000349381489 381917516 /nfs/dbraw/zinc/91/75/16/381917516.db2.gz GNWKCRDZMMNVOL-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000186496163 381928275 /nfs/dbraw/zinc/92/82/75/381928275.db2.gz ZOCNQAIPEKFOKF-HXQWBMQISA-N 2 0 294.483 2.946 20 0 CFADRP C(CN1CCC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000372906000 381888533 /nfs/dbraw/zinc/88/85/33/381888533.db2.gz ZNSKJIWCLWQPNT-SFHVURJKSA-N 2 0 293.499 2.813 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000372904501 381888607 /nfs/dbraw/zinc/88/86/07/381888607.db2.gz KAVNCIIYIXHXSC-OAHLLOKOSA-N 2 0 289.423 2.527 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000372926448 381890083 /nfs/dbraw/zinc/89/00/83/381890083.db2.gz JJCGYBVOSAPZEH-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000362201165 381958026 /nfs/dbraw/zinc/95/80/26/381958026.db2.gz OBZAEBUYNXBUMS-XIRDDKMYSA-N 2 0 288.435 2.652 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186597124 381960039 /nfs/dbraw/zinc/96/00/39/381960039.db2.gz BCURAXKJZPIGSG-YESZJQIVSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000356975379 381937321 /nfs/dbraw/zinc/93/73/21/381937321.db2.gz AYHKUQOGNLQNBT-CYBMUJFWSA-N 2 0 265.401 2.708 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2ccn(C)n2)CC1 ZINC000349461317 381941789 /nfs/dbraw/zinc/94/17/89/381941789.db2.gz YCZKFCPXYAVCLR-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)CCO1 ZINC000356989101 381945017 /nfs/dbraw/zinc/94/50/17/381945017.db2.gz KXUAIIXXJSLBGS-YLFCFFPRSA-N 2 0 282.472 2.996 20 0 CFADRP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000293167936 382016054 /nfs/dbraw/zinc/01/60/54/382016054.db2.gz UZOGZUBBXKRQOR-AWEZNQCLSA-N 2 0 269.392 2.931 20 0 CFADRP [NH3+]CCOCC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000357028610 381976377 /nfs/dbraw/zinc/97/63/77/381976377.db2.gz LZSKWCKROKQMGF-IBGZPJMESA-N 2 0 296.414 2.609 20 0 CFADRP Cc1nc2ccc(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000357057066 381990943 /nfs/dbraw/zinc/99/09/43/381990943.db2.gz UALJDHQIPRQFPU-KGLIPLIRSA-N 2 0 287.432 2.646 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357060293 381992709 /nfs/dbraw/zinc/99/27/09/381992709.db2.gz XYGQESCFENOTQD-OAHLLOKOSA-N 2 0 276.399 2.956 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2[nH]1 ZINC000299942244 382054798 /nfs/dbraw/zinc/05/47/98/382054798.db2.gz NARLILRKDANHGX-CVEARBPZSA-N 2 0 269.392 2.884 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300000586 382055135 /nfs/dbraw/zinc/05/51/35/382055135.db2.gz PGDNGHARLYUECB-RRFJBIMHSA-N 2 0 266.429 2.537 20 0 CFADRP C[C@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000344017959 382069760 /nfs/dbraw/zinc/06/97/60/382069760.db2.gz FDKYHHJUZPEXEM-QGZVFWFLSA-N 2 0 291.483 2.605 20 0 CFADRP C[N@H+](Cc1cccnc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000362417027 382059165 /nfs/dbraw/zinc/05/91/65/382059165.db2.gz HHODCFFDYALGGI-UHFFFAOYSA-N 2 0 282.391 2.577 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343933100 382026351 /nfs/dbraw/zinc/02/63/51/382026351.db2.gz NLLOBYKJCZYUJX-OAHLLOKOSA-N 2 0 293.455 2.936 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373906994 382029358 /nfs/dbraw/zinc/02/93/58/382029358.db2.gz XIMQUJFPYXLMTA-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)[C@H]1c1ccccc1 ZINC000376164217 382122840 /nfs/dbraw/zinc/12/28/40/382122840.db2.gz UUTUQUUCVLPUDE-BZUAXINKSA-N 2 0 276.449 2.775 20 0 CFADRP CCCC1CCC(C[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000357347106 382124537 /nfs/dbraw/zinc/12/45/37/382124537.db2.gz UGORBJXNGUDIDQ-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP Fc1cccc2c1OCC[C@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375345660 382082076 /nfs/dbraw/zinc/08/20/76/382082076.db2.gz TVYJQHWODPYDRQ-HEHGZKQESA-N 2 0 290.382 2.866 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)COC1 ZINC000344212713 382202707 /nfs/dbraw/zinc/20/27/07/382202707.db2.gz MKNDEVUOLOWNOC-DOTOQJQBSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000377077707 382211149 /nfs/dbraw/zinc/21/11/49/382211149.db2.gz LUPIPQSEXMSIRY-GWONACJQSA-N 2 0 280.456 2.793 20 0 CFADRP Cc1nocc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000293650732 382215056 /nfs/dbraw/zinc/21/50/56/382215056.db2.gz SJJNHRCOESSIFZ-KBXCAEBGSA-N 2 0 299.418 2.983 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000362978176 382224551 /nfs/dbraw/zinc/22/45/51/382224551.db2.gz XXGZSYGSSJANDV-FZKCQIBNSA-N 2 0 270.461 2.948 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OC ZINC000362977695 382224709 /nfs/dbraw/zinc/22/47/09/382224709.db2.gz TUMSJABOZOCVKJ-GVRJEKJASA-N 2 0 268.445 2.558 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)OC ZINC000362975763 382225035 /nfs/dbraw/zinc/22/50/35/382225035.db2.gz GVZQZQSSKXOKDF-MWNCTCPHSA-N 2 0 262.397 2.782 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](C)[C@@H](F)C1 ZINC000680334974 542305293 /nfs/dbraw/zinc/30/52/93/542305293.db2.gz PNDJWNFPHBSFGG-LRDDRELGSA-N 2 0 288.370 2.756 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000352342152 382281262 /nfs/dbraw/zinc/28/12/62/382281262.db2.gz OPFJLQZABYCXEQ-SJORKVTESA-N 2 0 290.451 2.820 20 0 CFADRP CSC1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000377546587 382289282 /nfs/dbraw/zinc/28/92/82/382289282.db2.gz AXFQQJNOAIKZIZ-ZFWWWQNUSA-N 2 0 280.481 2.831 20 0 CFADRP CO[C@H](CC(C)C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000419199726 382241424 /nfs/dbraw/zinc/24/14/24/382241424.db2.gz DOQSITXFCXOIKI-MRXNPFEDSA-N 2 0 270.461 2.711 20 0 CFADRP C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)[C@H]1CCCO1 ZINC000680343961 542307383 /nfs/dbraw/zinc/30/73/83/542307383.db2.gz CDOOSTBZPWEWGD-CZUORRHYSA-N 2 0 287.407 2.663 20 0 CFADRP C[C@](O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000187891569 382290287 /nfs/dbraw/zinc/29/02/87/382290287.db2.gz AZHFPCXPIVRNBM-KURKYZTESA-N 2 0 288.435 2.501 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H](C)[C@H](OC)C23CCC3)[C@H](C)C1 ZINC000363911753 382249370 /nfs/dbraw/zinc/24/93/70/382249370.db2.gz UVTGPVRLVIFEFI-CWVYHPPDSA-N 2 0 280.456 2.510 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccsc1 ZINC000187704685 382251938 /nfs/dbraw/zinc/25/19/38/382251938.db2.gz ODOWRGWQESZCHH-MRXNPFEDSA-N 2 0 296.480 2.883 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C ZINC000364057650 382254031 /nfs/dbraw/zinc/25/40/31/382254031.db2.gz OCDOTOIUZBYLKG-IRXDYDNUSA-N 2 0 290.455 2.530 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000419236566 382255331 /nfs/dbraw/zinc/25/53/31/382255331.db2.gz FEFCIHFORCLXSC-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293759898 382267406 /nfs/dbraw/zinc/26/74/06/382267406.db2.gz RYMRMVCYXKTZDE-OLZOCXBDSA-N 2 0 250.386 2.544 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1OC ZINC000293854645 382308126 /nfs/dbraw/zinc/30/81/26/382308126.db2.gz XMYNDMBDHOJKKZ-JSGCOSHPSA-N 2 0 294.439 2.861 20 0 CFADRP CC(C)[C@]1(CO)CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000293862288 382311436 /nfs/dbraw/zinc/31/14/36/382311436.db2.gz CDLNMPKOQRRSFL-QGZVFWFLSA-N 2 0 287.407 2.565 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000420294549 382344945 /nfs/dbraw/zinc/34/49/45/382344945.db2.gz BBDSQWNOVWWUPL-UMVBOHGHSA-N 2 0 262.397 2.610 20 0 CFADRP C[C@H](F)CC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000352420617 382322589 /nfs/dbraw/zinc/32/25/89/382322589.db2.gz FBNCTAZXZNDZEH-GOEBONIOSA-N 2 0 279.403 2.583 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357786962 382322641 /nfs/dbraw/zinc/32/26/41/382322641.db2.gz WYZNVFDSTKHUSQ-ZIAGYGMSSA-N 2 0 259.397 2.525 20 0 CFADRP C[N@H+](Cc1ccco1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377700026 382325530 /nfs/dbraw/zinc/32/55/30/382325530.db2.gz RPYZLFNFPZAKAN-UHFFFAOYSA-N 2 0 271.364 2.775 20 0 CFADRP Cc1ncccc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377701670 382325695 /nfs/dbraw/zinc/32/56/95/382325695.db2.gz UIPUTALRXWHDDC-UHFFFAOYSA-N 2 0 296.418 2.886 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000188063541 382336064 /nfs/dbraw/zinc/33/60/64/382336064.db2.gz GPNQBUFPBVVFRI-KNPMLCFXSA-N 2 0 292.398 2.968 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000420288067 382341320 /nfs/dbraw/zinc/34/13/20/382341320.db2.gz IPDKSLTXQYNJMJ-WDEREUQCSA-N 2 0 252.324 2.778 20 0 CFADRP c1cc(C[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000364262832 382294116 /nfs/dbraw/zinc/29/41/16/382294116.db2.gz MJAPZXYAASKZLL-GOSISDBHSA-N 2 0 287.451 2.822 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+]([C@H]3C=CCCC3)CC2)CC1 ZINC000377593841 382298154 /nfs/dbraw/zinc/29/81/54/382298154.db2.gz SLUPWIFEDCHKQF-KRWDZBQOSA-N 2 0 291.483 2.587 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357847278 382349003 /nfs/dbraw/zinc/34/90/03/382349003.db2.gz ITYLFLAZBKMTFQ-RBSFLKMASA-N 2 0 282.472 2.758 20 0 CFADRP COc1ccc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420299472 382349023 /nfs/dbraw/zinc/34/90/23/382349023.db2.gz ITHCNHAVEQBGRN-HNNXBMFYSA-N 2 0 288.435 2.874 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)CC[C@@H]1CC[NH2+]C1 ZINC000420298695 382349980 /nfs/dbraw/zinc/34/99/80/382349980.db2.gz FTSWZEJMYYMBQT-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000420297714 382350133 /nfs/dbraw/zinc/35/01/33/382350133.db2.gz RMSIWWKBPWOODI-JTQLQIEISA-N 2 0 287.329 2.660 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000420302004 382351538 /nfs/dbraw/zinc/35/15/38/382351538.db2.gz LUGCZKNXMHKLHZ-HIFRSBDPSA-N 2 0 288.391 2.552 20 0 CFADRP Fc1ccc(C[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420300753 382351587 /nfs/dbraw/zinc/35/15/87/382351587.db2.gz KLCPOBVBRNVLAM-JKSUJKDBSA-N 2 0 276.399 2.690 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420301259 382352399 /nfs/dbraw/zinc/35/23/99/382352399.db2.gz IOSHMIXRNNNYCY-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420302977 382353531 /nfs/dbraw/zinc/35/35/31/382353531.db2.gz KDVHSLINTBNSQJ-YOEHRIQHSA-N 2 0 274.408 2.832 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420303373 382354286 /nfs/dbraw/zinc/35/42/86/382354286.db2.gz NDMWYPRKDFAGQR-HOCLYGCPSA-N 2 0 274.408 2.832 20 0 CFADRP CCc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420310126 382357661 /nfs/dbraw/zinc/35/76/61/382357661.db2.gz POQXLTYEQQMFCD-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cn[nH]c1 ZINC000680478616 542329328 /nfs/dbraw/zinc/32/93/28/542329328.db2.gz CASWPWDHUYISCV-UHFFFAOYSA-N 2 0 299.422 2.543 20 0 CFADRP c1ccc(N[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420309666 382358939 /nfs/dbraw/zinc/35/89/39/382358939.db2.gz DXUMTMPTBVOERD-WBVHZDCISA-N 2 0 273.424 2.563 20 0 CFADRP Cc1csc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311354 382360682 /nfs/dbraw/zinc/36/06/82/382360682.db2.gz GYFJCDUWJDZCNC-ZIAGYGMSSA-N 2 0 279.453 2.631 20 0 CFADRP Cc1csc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311349 382361025 /nfs/dbraw/zinc/36/10/25/382361025.db2.gz GYFJCDUWJDZCNC-UONOGXRCSA-N 2 0 279.453 2.631 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000420315070 382362092 /nfs/dbraw/zinc/36/20/92/382362092.db2.gz ZNSGECJNIWFALO-JKIFEVAISA-N 2 0 292.398 2.587 20 0 CFADRP c1csc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420318439 382364358 /nfs/dbraw/zinc/36/43/58/382364358.db2.gz OBDXTNJGXVVANG-KGLIPLIRSA-N 2 0 279.453 2.712 20 0 CFADRP c1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420318443 382364845 /nfs/dbraw/zinc/36/48/45/382364845.db2.gz OBDXTNJGXVVANG-UONOGXRCSA-N 2 0 279.453 2.712 20 0 CFADRP CCc1csc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420321367 382365821 /nfs/dbraw/zinc/36/58/21/382365821.db2.gz RCAYJMSPPOIMRH-KBPBESRZSA-N 2 0 293.480 2.885 20 0 CFADRP CCOC(=O)CCCCC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000420319147 382365928 /nfs/dbraw/zinc/36/59/28/382365928.db2.gz XERKIQCYBQBNFO-OAHLLOKOSA-N 2 0 284.444 2.574 20 0 CFADRP CCc1cnc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420320365 382366337 /nfs/dbraw/zinc/36/63/37/382366337.db2.gz QBAIKPDXLFXRDS-GFCCVEGCSA-N 2 0 267.442 2.527 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)on1 ZINC000420320476 382366873 /nfs/dbraw/zinc/36/68/73/382366873.db2.gz QHRZQVOJCVPAJM-KGLIPLIRSA-N 2 0 263.385 2.510 20 0 CFADRP c1cc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc2)n[nH]1 ZINC000420320886 382367271 /nfs/dbraw/zinc/36/72/71/382367271.db2.gz QPMRTVAYYMXNAL-INIZCTEOSA-N 2 0 298.434 2.802 20 0 CFADRP CC[C@](C)([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000420322257 382368969 /nfs/dbraw/zinc/36/89/69/382368969.db2.gz SKBUKMWCBGSBFW-JSGCOSHPSA-N 2 0 267.442 2.748 20 0 CFADRP CCC[C@H](C)[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321774 382368975 /nfs/dbraw/zinc/36/89/75/382368975.db2.gz RRLNRHGDORHRCS-DZGCQCFKSA-N 2 0 264.413 2.858 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420324939 382369306 /nfs/dbraw/zinc/36/93/06/382369306.db2.gz VXEYQGZWEXOJFI-MSOLQXFVSA-N 3 0 293.499 2.574 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000420326854 382370386 /nfs/dbraw/zinc/37/03/86/382370386.db2.gz XYLNRGGEZZSEDA-HNNXBMFYSA-N 2 0 276.424 2.860 20 0 CFADRP COCCCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420327323 382371170 /nfs/dbraw/zinc/37/11/70/382371170.db2.gz YHGRRAGPRJWRPB-QGZVFWFLSA-N 2 0 290.451 2.915 20 0 CFADRP FC(F)(F)CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341067 382375659 /nfs/dbraw/zinc/37/56/59/382375659.db2.gz PUSDVCHYRQKQJF-TXEJJXNPSA-N 2 0 264.335 2.650 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344531 382377358 /nfs/dbraw/zinc/37/73/58/382377358.db2.gz UAYUMRAVWHPFGL-IAGOWNOFSA-N 2 0 258.409 2.551 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344482 382377473 /nfs/dbraw/zinc/37/74/73/382377473.db2.gz TVJVDEUMVSTNHE-SJORKVTESA-N 2 0 288.435 2.695 20 0 CFADRP Fc1cccc2c1C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420354757 382378293 /nfs/dbraw/zinc/37/82/93/382378293.db2.gz DFVOHQWGPYOKEB-UHFFFAOYSA-N 2 0 262.372 2.574 20 0 CFADRP CC(C)[N@@H+](CCc1nccs1)CC[C@H]1CCC[NH2+]C1 ZINC000420353020 382378328 /nfs/dbraw/zinc/37/83/28/382378328.db2.gz BFCJYSLUDCDUDX-CQSZACIVSA-N 2 0 281.469 2.786 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420395150 382397779 /nfs/dbraw/zinc/39/77/79/382397779.db2.gz CXGZXBIHGLTRLI-JKSUJKDBSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000352524248 382379831 /nfs/dbraw/zinc/37/98/31/382379831.db2.gz AUNGUUYRMBDLMN-INIZCTEOSA-N 2 0 290.455 2.630 20 0 CFADRP Cc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352526459 382381710 /nfs/dbraw/zinc/38/17/10/382381710.db2.gz NUMQTPWHINYGCU-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352534055 382383344 /nfs/dbraw/zinc/38/33/44/382383344.db2.gz CRBXALLSYZDJCX-OAHLLOKOSA-N 2 0 292.471 2.958 20 0 CFADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420364157 382385069 /nfs/dbraw/zinc/38/50/69/382385069.db2.gz CSJBPPSJZJXAAP-JKSUJKDBSA-N 2 0 298.434 2.500 20 0 CFADRP [NH3+]C[C@H]1CN(Cc2ccc(-c3ccccc3)s2)CCO1 ZINC000357945315 382385496 /nfs/dbraw/zinc/38/54/96/382385496.db2.gz OGVHEBIMLNFVBH-AWEZNQCLSA-N 2 0 288.416 2.575 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000420363690 382386027 /nfs/dbraw/zinc/38/60/27/382386027.db2.gz BWAASYOALFVRSF-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH3+])c1ccc(Cl)cc1Cl ZINC000420368827 382389577 /nfs/dbraw/zinc/38/95/77/382389577.db2.gz IMAVYKSIXBKHGM-VIFPVBQESA-N 2 0 277.195 2.619 20 0 CFADRP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397126 382398488 /nfs/dbraw/zinc/39/84/88/382398488.db2.gz MNYFJVGAWBKSBV-JKSUJKDBSA-N 2 0 298.434 2.607 20 0 CFADRP Fc1ccc2c(c1)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420370094 382390950 /nfs/dbraw/zinc/39/09/50/382390950.db2.gz YLGYEZVEGMGZDS-UHFFFAOYSA-N 2 0 262.372 2.574 20 0 CFADRP C(CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000420370661 382391079 /nfs/dbraw/zinc/39/10/79/382391079.db2.gz YVVUDPBIDJYATO-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000420374686 382393403 /nfs/dbraw/zinc/39/34/03/382393403.db2.gz OJLBTFWEQWBQHQ-WCQYABFASA-N 2 0 284.350 2.938 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420387929 382395978 /nfs/dbraw/zinc/39/59/78/382395978.db2.gz WLUUJAUULTZSJB-QGZVFWFLSA-N 2 0 274.408 2.531 20 0 CFADRP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC1CC1 ZINC000420296885 382346958 /nfs/dbraw/zinc/34/69/58/382346958.db2.gz CKWBPSFZPXXRJJ-INIZCTEOSA-N 2 0 276.424 2.860 20 0 CFADRP C[N@H+](CCOc1ccccc1F)CC[C@H]1CCC[NH2+]C1 ZINC000420297357 382347982 /nfs/dbraw/zinc/34/79/82/382347982.db2.gz DAXUFBKCFUZORN-CQSZACIVSA-N 2 0 280.387 2.526 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000680470637 542327823 /nfs/dbraw/zinc/32/78/23/542327823.db2.gz KNAKYFHIFHRCGF-WCQYABFASA-N 2 0 281.469 2.875 20 0 CFADRP CCCCCOc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000346638328 382448279 /nfs/dbraw/zinc/44/82/79/382448279.db2.gz IRFZLPCMMBSLAG-OAHLLOKOSA-N 2 0 262.397 2.789 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCOc2ccccc21 ZINC000378336263 382439116 /nfs/dbraw/zinc/43/91/16/382439116.db2.gz RXSRDQRQTWYTND-CVEARBPZSA-N 2 0 288.435 2.826 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2F)[C@@H](C)C1 ZINC000358085828 382445415 /nfs/dbraw/zinc/44/54/15/382445415.db2.gz NOPKTRAOEGOQEJ-DZGCQCFKSA-N 2 0 280.387 2.524 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401749 382400095 /nfs/dbraw/zinc/40/00/95/382400095.db2.gz JHWKRLWTOQHZEF-ZBFHGGJFSA-N 2 0 276.424 2.545 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420409733 382401295 /nfs/dbraw/zinc/40/12/95/382401295.db2.gz QPNPIQTVFUPBPQ-OCCSQVGLSA-N 2 0 264.438 2.825 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000420422805 382403164 /nfs/dbraw/zinc/40/31/64/382403164.db2.gz ZTCVCBRPTBDUPU-UONOGXRCSA-N 2 0 265.401 2.722 20 0 CFADRP COc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294079758 382407107 /nfs/dbraw/zinc/40/71/07/382407107.db2.gz ABQBIWHCWCREJV-UHFFFAOYSA-N 2 0 297.402 2.849 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000346560902 382414843 /nfs/dbraw/zinc/41/48/43/382414843.db2.gz PKVXKNTWPGBXFL-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)[C@@H](C)C1 ZINC000358026885 382417111 /nfs/dbraw/zinc/41/71/11/382417111.db2.gz VNVLLAXFCCJVQP-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@](C)(O)C2CCCCC2)CC1 ZINC000188662464 382453242 /nfs/dbraw/zinc/45/32/42/382453242.db2.gz KJXDIBOPEHMTSM-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352712116 382455604 /nfs/dbraw/zinc/45/56/04/382455604.db2.gz CDGSNZLBNBEKQA-MQIPJXDCSA-N 2 0 292.398 2.968 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000346650698 382456389 /nfs/dbraw/zinc/45/63/89/382456389.db2.gz PYCRATAGKYCBKP-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346661496 382459953 /nfs/dbraw/zinc/45/99/53/382459953.db2.gz BDLYJKUPYQLRHQ-HUUCEWRRSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000346679370 382467819 /nfs/dbraw/zinc/46/78/19/382467819.db2.gz MLDCEJOYDIESCF-OLZOCXBDSA-N 2 0 287.432 2.979 20 0 CFADRP CCC(CC)[C@H](C[NH2+]CC1(C)COC1)[NH+]1CCCC1 ZINC000352783702 382472378 /nfs/dbraw/zinc/47/23/78/382472378.db2.gz YHWVIBHWHKDWGI-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000352791135 382473222 /nfs/dbraw/zinc/47/32/22/382473222.db2.gz HEIUGOCZHVRHND-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000346693865 382477358 /nfs/dbraw/zinc/47/73/58/382477358.db2.gz QEIBOCUDSSMEIW-KRWDZBQOSA-N 2 0 286.423 2.678 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000346694527 382477394 /nfs/dbraw/zinc/47/73/94/382477394.db2.gz URWROZQLTUMMLV-ZIAGYGMSSA-N 2 0 284.407 2.554 20 0 CFADRP [NH3+]CCCOC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000346693385 382478072 /nfs/dbraw/zinc/47/80/72/382478072.db2.gz MUDRXGABNRZSLL-HNQUOIGGSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000346695167 382480004 /nfs/dbraw/zinc/48/00/04/382480004.db2.gz YQISNRIQOYFWNH-KBXCAEBGSA-N 2 0 281.403 2.918 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000378551825 382481791 /nfs/dbraw/zinc/48/17/91/382481791.db2.gz PFPMYQBHXQJLNS-RRFJBIMHSA-N 2 0 280.456 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@H]21 ZINC000346821110 382529052 /nfs/dbraw/zinc/52/90/52/382529052.db2.gz LHJPCGSGCPVLJC-DJIMGWMZSA-N 2 0 296.418 2.636 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000381483351 382521806 /nfs/dbraw/zinc/52/18/06/382521806.db2.gz FUNBQKBWKIHQSV-FRRDWIJNSA-N 2 0 258.356 2.638 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000381926413 382526390 /nfs/dbraw/zinc/52/63/90/382526390.db2.gz OWVYHSKKUSRLCA-UPJWGTAASA-N 2 0 260.372 2.884 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC000358191865 382497983 /nfs/dbraw/zinc/49/79/83/382497983.db2.gz PGCGGUBCNIWQPT-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000358195181 382499325 /nfs/dbraw/zinc/49/93/25/382499325.db2.gz UUBNMLSKSGBVIA-XDNAFOTISA-N 2 0 270.420 2.834 20 0 CFADRP C[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@@]1(C)C[NH3+] ZINC000311172898 382502148 /nfs/dbraw/zinc/50/21/48/382502148.db2.gz UPRSNOWAPMBAFB-QMTHXVAHSA-N 2 0 270.779 2.896 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000380189902 382510560 /nfs/dbraw/zinc/51/05/60/382510560.db2.gz CMQAKVMBQRBYTJ-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2F)CC1 ZINC000346793025 382513661 /nfs/dbraw/zinc/51/36/61/382513661.db2.gz IRZMVNCRNFHZSF-UHFFFAOYSA-N 2 0 286.341 2.720 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000346796502 382515144 /nfs/dbraw/zinc/51/51/44/382515144.db2.gz SDTJIXIAVMDHPI-FRRDWIJNSA-N 2 0 258.475 2.836 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000346798493 382515360 /nfs/dbraw/zinc/51/53/60/382515360.db2.gz UWIVINQKZVBCDQ-ZMSDIMECSA-N 2 0 260.425 2.998 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000346796504 382515555 /nfs/dbraw/zinc/51/55/55/382515555.db2.gz SDTJIXIAVMDHPI-JHJVBQTASA-N 2 0 258.475 2.836 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(C)[C@H]2C)cc1 ZINC000346797547 382515947 /nfs/dbraw/zinc/51/59/47/382515947.db2.gz OELAAMLSXSOFNZ-ZQIUZPCESA-N 2 0 276.424 2.699 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358236492 382519018 /nfs/dbraw/zinc/51/90/18/382519018.db2.gz AWNCJSSROCITDU-OWYFMNJBSA-N 2 0 282.472 2.898 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346851342 382544296 /nfs/dbraw/zinc/54/42/96/382544296.db2.gz JCBFFGRAQKCNAW-JQHSSLGASA-N 2 0 288.435 2.891 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C[NH+]1CCCCC1 ZINC000353455012 382546564 /nfs/dbraw/zinc/54/65/64/382546564.db2.gz NJKMWKUHPMCDLO-XDNAFOTISA-N 2 0 293.499 2.571 20 0 CFADRP CCc1nc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000328339049 382547636 /nfs/dbraw/zinc/54/76/36/382547636.db2.gz KVDDWCIFOGZONQ-NWDGAFQWSA-N 2 0 267.442 2.525 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCOCc2ccccc2)CC[NH2+]1 ZINC000384153801 382550696 /nfs/dbraw/zinc/55/06/96/382550696.db2.gz JWXJJWONZCPZSV-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000384416763 382553751 /nfs/dbraw/zinc/55/37/51/382553751.db2.gz QFCUIVJHDZTTBL-INIZCTEOSA-N 2 0 276.424 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC2CCOCC2)[C@H](C)C1 ZINC000346932389 382576569 /nfs/dbraw/zinc/57/65/69/382576569.db2.gz MKCZZKHHMNMHQI-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384516670 382555028 /nfs/dbraw/zinc/55/50/28/382555028.db2.gz AHTOVTXAUQDGAJ-ATLSCFEFSA-N 2 0 288.435 2.664 20 0 CFADRP c1ccc(CN(CCC[NH+]2CCCCC2)C2CC2)nc1 ZINC000189149374 382555281 /nfs/dbraw/zinc/55/52/81/382555281.db2.gz GORABNRDSZEEGK-UHFFFAOYSA-N 2 0 273.424 2.922 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346876224 382555942 /nfs/dbraw/zinc/55/59/42/382555942.db2.gz JMHWZWPPSRNYQG-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000346887254 382559112 /nfs/dbraw/zinc/55/91/12/382559112.db2.gz SCICBTULRCTNJG-CZUORRHYSA-N 2 0 279.403 2.558 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000680637851 542342725 /nfs/dbraw/zinc/34/27/25/542342725.db2.gz UCUKNGNPUXIGMF-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CSC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000367322882 382564441 /nfs/dbraw/zinc/56/44/41/382564441.db2.gz WSPPSMRGHRSHLS-AWEZNQCLSA-N 2 0 268.470 2.832 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358322207 382567029 /nfs/dbraw/zinc/56/70/29/382567029.db2.gz SMMJDPYEVHUGRB-LPWJVIDDSA-N 2 0 260.372 2.883 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000385631613 382573385 /nfs/dbraw/zinc/57/33/85/382573385.db2.gz GSTBVEZKVTXVKJ-SHARSMKWSA-N 2 0 270.486 2.840 20 0 CFADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000294867679 382535892 /nfs/dbraw/zinc/53/58/92/382535892.db2.gz DOFNXBRSVNLPFJ-ROUUACIJSA-N 2 0 290.451 2.518 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346839731 382537475 /nfs/dbraw/zinc/53/74/75/382537475.db2.gz SRRHFEUDHSUMIK-SFHVURJKSA-N 2 0 290.451 2.567 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@H]21 ZINC000346840309 382537499 /nfs/dbraw/zinc/53/74/99/382537499.db2.gz TYYOBRUNGYFVMS-USXIJHARSA-N 2 0 296.418 2.636 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2nccs2)CC[NH+](C)CC1 ZINC000353626870 382584792 /nfs/dbraw/zinc/58/47/92/382584792.db2.gz JFCCSROTFHMIGH-LLVKDONJSA-N 2 0 285.482 2.621 20 0 CFADRP c1cnc2c(c1)cccc2C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386389820 382588044 /nfs/dbraw/zinc/58/80/44/382588044.db2.gz TVTJUTBYTXVYLJ-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386486042 382590047 /nfs/dbraw/zinc/59/00/47/382590047.db2.gz SXWUHPZWNNAELV-RQJABVFESA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)CCCC2CCOCC2)CCN1C ZINC000346967017 382591583 /nfs/dbraw/zinc/59/15/83/382591583.db2.gz IULRXDHLTSHPQD-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000386887104 382593798 /nfs/dbraw/zinc/59/37/98/382593798.db2.gz NBHOJICIYBUYIF-MOPGFXCFSA-N 2 0 295.430 2.853 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000387321998 382596858 /nfs/dbraw/zinc/59/68/58/382596858.db2.gz MYLGIZIEHPCRKR-UHFFFAOYSA-N 2 0 280.460 2.848 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(O)c1 ZINC000387297516 382597058 /nfs/dbraw/zinc/59/70/58/382597058.db2.gz JEFFGRHNHIRQBF-UHFFFAOYSA-N 2 0 250.386 2.602 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000387450711 382598669 /nfs/dbraw/zinc/59/86/69/382598669.db2.gz URHQFBRSXCQOHX-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000353668790 382600769 /nfs/dbraw/zinc/60/07/69/382600769.db2.gz PWXMKTALBFGZFW-LSDHHAIUSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000397404097 382633422 /nfs/dbraw/zinc/63/34/22/382633422.db2.gz SGVNZWUEMMJCMJ-XQHKEYJVSA-N 2 0 260.372 2.727 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000389929460 382617326 /nfs/dbraw/zinc/61/73/26/382617326.db2.gz YYGIIOZGVHWZHB-DJIMGWMZSA-N 2 0 276.424 2.841 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189526065 382620103 /nfs/dbraw/zinc/62/01/03/382620103.db2.gz OFXQCNFJZLDLLI-UHFFFAOYSA-N 2 0 268.445 2.797 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000392275182 382621555 /nfs/dbraw/zinc/62/15/55/382621555.db2.gz GGLHSTVZHPMPCX-CQSZACIVSA-N 2 0 274.408 2.916 20 0 CFADRP C[C@@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000385924979 382581207 /nfs/dbraw/zinc/58/12/07/382581207.db2.gz AUMIDEMQZYPXNU-CABCVRRESA-N 2 0 286.423 2.547 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353623633 382583239 /nfs/dbraw/zinc/58/32/39/382583239.db2.gz OQGYQBPVFCGFSG-NXEZZACHSA-N 2 0 275.318 2.978 20 0 CFADRP C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000386149908 382583425 /nfs/dbraw/zinc/58/34/25/382583425.db2.gz RYORKHQBAWLKJG-WBVHZDCISA-N 2 0 275.440 2.633 20 0 CFADRP C[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933611 382645701 /nfs/dbraw/zinc/64/57/01/382645701.db2.gz FJNMTXYMIINJOE-CHWSQXEVSA-N 2 0 290.398 2.511 20 0 CFADRP C[C@H]([NH2+]CCOCC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933593 382645892 /nfs/dbraw/zinc/64/58/92/382645892.db2.gz FJNMTXYMIINJOE-QWHCGFSZSA-N 2 0 290.398 2.511 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190987355 382687481 /nfs/dbraw/zinc/68/74/81/382687481.db2.gz GDYFEQLUDOXORO-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000190405839 382666469 /nfs/dbraw/zinc/66/64/69/382666469.db2.gz JSUQJOVAABMEPT-RDJZCZTQSA-N 2 0 282.472 2.998 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190787588 382680646 /nfs/dbraw/zinc/68/06/46/382680646.db2.gz CZWHFJAOZINQTQ-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ncc(C[NH2+]CCOCC(F)F)n1-c1ccccc1 ZINC000190900658 382684245 /nfs/dbraw/zinc/68/42/45/382684245.db2.gz SOPPDVCLKMMREK-UHFFFAOYSA-N 2 0 295.333 2.552 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000336848597 382734995 /nfs/dbraw/zinc/73/49/95/382734995.db2.gz LJOKBWMVZHHFOK-DZGCQCFKSA-N 2 0 294.439 2.942 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cocn2)C1 ZINC000192286901 382706622 /nfs/dbraw/zinc/70/66/22/382706622.db2.gz CQEDGJJPBYPRGP-KBPBESRZSA-N 2 0 265.401 2.522 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000192673975 382711120 /nfs/dbraw/zinc/71/11/20/382711120.db2.gz LLFGIROCODSRQV-CRAIPNDOSA-N 2 0 288.435 2.797 20 0 CFADRP CCO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000193426756 382719847 /nfs/dbraw/zinc/71/98/47/382719847.db2.gz HMETXVCNPAFSIX-OIISXLGYSA-N 2 0 276.424 2.837 20 0 CFADRP CSC1(C[NH2+]Cc2cnc3c(C)cccn23)CC1 ZINC000193664314 382722252 /nfs/dbraw/zinc/72/22/52/382722252.db2.gz BNBFLXRRSNDINA-UHFFFAOYSA-N 2 0 261.394 2.628 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC2 ZINC000336836532 382728981 /nfs/dbraw/zinc/72/89/81/382728981.db2.gz WQYKUGNTZKWVFI-DYVFJYSZSA-N 2 0 276.424 2.860 20 0 CFADRP CC(C)n1ccc(CN2CC[C@@H](Oc3ccncc3)C2)n1 ZINC000336841489 382731895 /nfs/dbraw/zinc/73/18/95/382731895.db2.gz OOUBJYWQDJMABU-MRXNPFEDSA-N 2 0 286.379 2.512 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000336845811 382733908 /nfs/dbraw/zinc/73/39/08/382733908.db2.gz FJEXNDVIOPQZQL-DLBZAZTESA-N 2 0 292.471 2.619 20 0 CFADRP CCC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000219314087 382793406 /nfs/dbraw/zinc/79/34/06/382793406.db2.gz WJWFJOATOABRLZ-INIZCTEOSA-N 2 0 264.413 2.696 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)nc21 ZINC000337121586 382763323 /nfs/dbraw/zinc/76/33/23/382763323.db2.gz AKUZXFGOACTBSF-UONOGXRCSA-N 2 0 287.407 2.609 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000337134992 382765780 /nfs/dbraw/zinc/76/57/80/382765780.db2.gz MCOLKXDJWYEKIR-JKSUJKDBSA-N 2 0 282.472 2.854 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000337142765 382767211 /nfs/dbraw/zinc/76/72/11/382767211.db2.gz UKLXXTJZYDZGBZ-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000194567418 382748731 /nfs/dbraw/zinc/74/87/31/382748731.db2.gz FTVPXXCOLNCMLQ-NVXWUHKLSA-N 2 0 278.440 2.737 20 0 CFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@@H](COC)Cc1ccccc1 ZINC000337063180 382757352 /nfs/dbraw/zinc/75/73/52/382757352.db2.gz YONUOTROKUNHIA-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000219307892 382793234 /nfs/dbraw/zinc/79/32/34/382793234.db2.gz FKFCONRSULQYJO-INIZCTEOSA-N 2 0 296.842 2.959 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228473717 382846735 /nfs/dbraw/zinc/84/67/35/382846735.db2.gz NJUKWZOSXFHDFQ-USXIJHARSA-N 2 0 258.409 2.863 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]21 ZINC000228476814 382846932 /nfs/dbraw/zinc/84/69/32/382846932.db2.gz OYKGHVXNPZKDKN-USXIJHARSA-N 2 0 281.403 2.794 20 0 CFADRP Cc1oc2ccccc2c1CNC1CC([NH+](C)C)C1 ZINC000577077451 382847242 /nfs/dbraw/zinc/84/72/42/382847242.db2.gz POVHXLFMCGJJAW-UHFFFAOYSA-N 2 0 258.365 2.923 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000228533365 382847622 /nfs/dbraw/zinc/84/76/22/382847622.db2.gz LHDCCMVVJPDIGF-SQWLQELKSA-N 2 0 262.372 2.693 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)C2CCC2)CC1 ZINC000337307970 382798685 /nfs/dbraw/zinc/79/86/85/382798685.db2.gz XJABERVTFYGYMG-MRXNPFEDSA-N 2 0 281.488 2.523 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000222370378 382802022 /nfs/dbraw/zinc/80/20/22/382802022.db2.gz YKEJXMYVRUKDDG-FGTMMUONSA-N 2 0 290.451 2.615 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000337326913 382802069 /nfs/dbraw/zinc/80/20/69/382802069.db2.gz CWQCMIQQXDRMGZ-CQSZACIVSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)OC1CC([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000575889020 382803151 /nfs/dbraw/zinc/80/31/51/382803151.db2.gz ABOUCIGBGKPOJU-UHFFFAOYSA-N 2 0 282.472 2.995 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1 ZINC000337341459 382806200 /nfs/dbraw/zinc/80/62/00/382806200.db2.gz UVWMLOCKGNKQDG-UHFFFAOYSA-N 2 0 264.413 2.859 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337345506 382806912 /nfs/dbraw/zinc/80/69/12/382806912.db2.gz VFSCKGVDUPIAFJ-IRXDYDNUSA-N 2 0 288.435 2.974 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000337346738 382807405 /nfs/dbraw/zinc/80/74/05/382807405.db2.gz WTUCVGVJONTTIV-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1cccc2c1ccnc2NCCN1CCOC[C@@H]1C ZINC000576103215 382810524 /nfs/dbraw/zinc/81/05/24/382810524.db2.gz ONEIQTGNBGYXTP-AWEZNQCLSA-N 2 0 285.391 2.676 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229085239 382850610 /nfs/dbraw/zinc/85/06/10/382850610.db2.gz XLUFATSAMJLGBE-ZBFHGGJFSA-N 2 0 276.424 2.599 20 0 CFADRP CC[C@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000337397524 382815081 /nfs/dbraw/zinc/81/50/81/382815081.db2.gz GFPYIEBAJZRMBY-BPUTZDHNSA-N 2 0 261.413 2.805 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000576475477 382824047 /nfs/dbraw/zinc/82/40/47/382824047.db2.gz DRGYPHLIEXQFGO-XJKSGUPXSA-N 2 0 274.408 2.787 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000337462994 382825133 /nfs/dbraw/zinc/82/51/33/382825133.db2.gz KXFXYOROUVROKG-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226434760 382828534 /nfs/dbraw/zinc/82/85/34/382828534.db2.gz AFTADNVAWBJKOD-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCC[NH2+]C1 ZINC000226438997 382828694 /nfs/dbraw/zinc/82/86/94/382828694.db2.gz MIBZQYGMRJCVHH-CYBMUJFWSA-N 2 0 258.365 2.864 20 0 CFADRP CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226434946 382828979 /nfs/dbraw/zinc/82/89/79/382828979.db2.gz IJFIJTDVGZNNBV-CQSZACIVSA-N 2 0 250.361 2.647 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000227375879 382836866 /nfs/dbraw/zinc/83/68/66/382836866.db2.gz FDNALWXCCNBUFA-ZFWWWQNUSA-N 2 0 262.397 2.658 20 0 CFADRP CN(C)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccco1 ZINC000227535192 382837536 /nfs/dbraw/zinc/83/75/36/382837536.db2.gz OXRBBZQYACBWQT-OWCLPIDISA-N 2 0 285.391 2.617 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000337536215 382838359 /nfs/dbraw/zinc/83/83/59/382838359.db2.gz YDKGJIMRKXWHID-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337543509 382839631 /nfs/dbraw/zinc/83/96/31/382839631.db2.gz KBEBBRRXSRECSR-OLZOCXBDSA-N 2 0 276.371 2.609 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC(C)(C)CC1)CN1CC[NH+](C)CC1 ZINC000577005770 382844865 /nfs/dbraw/zinc/84/48/65/382844865.db2.gz FDVJSFCPUHJJDC-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000493868908 382906733 /nfs/dbraw/zinc/90/67/33/382906733.db2.gz ATZAUTYQUSWJTQ-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577412374 382858898 /nfs/dbraw/zinc/85/88/98/382858898.db2.gz OYVKWYOMIBUHEK-ZIAGYGMSSA-N 2 0 264.438 2.811 20 0 CFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577650326 382866847 /nfs/dbraw/zinc/86/68/47/382866847.db2.gz MWBDHVNEKGYRDT-GOEBONIOSA-N 2 0 289.423 2.641 20 0 CFADRP CC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233528841 382871635 /nfs/dbraw/zinc/87/16/35/382871635.db2.gz JGXREHUCOGXJPU-STQMWFEESA-N 2 0 252.427 2.958 20 0 CFADRP Cc1nc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH]c1C ZINC000578027040 382884629 /nfs/dbraw/zinc/88/46/29/382884629.db2.gz LOXDNXMYQZZSJK-SUMWQHHRSA-N 2 0 298.434 2.637 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000235902458 382889308 /nfs/dbraw/zinc/88/93/08/382889308.db2.gz YVAVCFWINVJKIC-CQSZACIVSA-N 2 0 250.361 2.837 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992069 382892186 /nfs/dbraw/zinc/89/21/86/382892186.db2.gz QRWDHWGEXJPAGA-FHLIZLRMSA-N 2 0 292.467 2.656 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338002056 382896978 /nfs/dbraw/zinc/89/69/78/382896978.db2.gz STAQEJDIGUDMMF-VSZNYVQBSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)[C@H]1C ZINC000494922380 382940943 /nfs/dbraw/zinc/94/09/43/382940943.db2.gz LGLAZLWJYQBISQ-KEYYUXOJSA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000494926641 382942955 /nfs/dbraw/zinc/94/29/55/382942955.db2.gz VDWCXLIIXDQFCF-KEYYUXOJSA-N 2 0 276.424 2.761 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(C/C=C/c2ccncc2)C1 ZINC000494939728 382944867 /nfs/dbraw/zinc/94/48/67/382944867.db2.gz RHCDSKQTTSEIRQ-BDUNBXCCSA-N 2 0 273.424 2.759 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000578738448 382948977 /nfs/dbraw/zinc/94/89/77/382948977.db2.gz XJHJQRSFLWQFIN-LBPRGKRZSA-N 2 0 282.378 2.875 20 0 CFADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000237095030 382949909 /nfs/dbraw/zinc/94/99/09/382949909.db2.gz WRRAIDLVMJGSMP-JTQLQIEISA-N 2 0 286.379 2.624 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccncc2)[C@@H](C)C1 ZINC000494985359 382950556 /nfs/dbraw/zinc/95/05/56/382950556.db2.gz JKJOCTNMGNKXJG-KAWBWNIXSA-N 2 0 273.424 2.757 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc2)n1 ZINC000442761449 382951939 /nfs/dbraw/zinc/95/19/39/382951939.db2.gz CAVAIOORJICBLM-WMLDXEAASA-N 2 0 298.434 2.658 20 0 CFADRP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](C)[C@H]3C)CC2)nc(C)n1 ZINC000495041403 382953964 /nfs/dbraw/zinc/95/39/64/382953964.db2.gz FDOHVBGYUVSMIQ-AXAPSJFSSA-N 2 0 288.439 2.696 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000495085109 382959311 /nfs/dbraw/zinc/95/93/11/382959311.db2.gz OBCCOARXTXCFRU-VKJFTORMSA-N 2 0 290.451 2.804 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000443062350 382965120 /nfs/dbraw/zinc/96/51/20/382965120.db2.gz UMKQMNMIYVJHKC-OAHLLOKOSA-N 2 0 268.445 2.787 20 0 CFADRP C[C@@]1(F)CC[N@H+](CCCC[NH+]2CC[C@](C)(F)C2)C1 ZINC000534308267 382923581 /nfs/dbraw/zinc/92/35/81/382923581.db2.gz UZPTXUQPDBHWHY-OKILXGFUSA-N 2 0 260.372 2.634 20 0 CFADRP Cc1nn(C)c(C)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534347801 382928819 /nfs/dbraw/zinc/92/88/19/382928819.db2.gz LRJCPZSKSOTDBG-UHFFFAOYSA-N 2 0 292.471 2.589 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442918602 382963302 /nfs/dbraw/zinc/96/33/02/382963302.db2.gz DARYRRRNPHGWHE-ZBFHGGJFSA-N 2 0 268.445 2.500 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000534579413 382933873 /nfs/dbraw/zinc/93/38/73/382933873.db2.gz OWXXRQGRKKUHPX-MRXNPFEDSA-N 2 0 299.418 2.851 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000422634174 382974657 /nfs/dbraw/zinc/97/46/57/382974657.db2.gz JJNIVOMHNSVLOB-IIAWOOMASA-N 2 0 275.440 2.558 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000338281297 382974801 /nfs/dbraw/zinc/97/48/01/382974801.db2.gz CXLRBNXZKYWMKY-WBVHZDCISA-N 2 0 284.488 2.885 20 0 CFADRP C[C@@H]1CCC[C@@](C[NH2+]C2CCC(C[NH3+])CC2)(N(C)C)C1 ZINC000422729663 382975964 /nfs/dbraw/zinc/97/59/64/382975964.db2.gz CFLXHUZQNNUDRH-RDHHWEPZSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723189 382976747 /nfs/dbraw/zinc/97/67/47/382976747.db2.gz ZUUZUFJWHSKWJB-SJORKVTESA-N 3 0 281.488 2.620 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000422754780 382977479 /nfs/dbraw/zinc/97/74/79/382977479.db2.gz GDXBMJBDPZRWER-HZPDHXFCSA-N 2 0 268.445 2.975 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422788963 382978712 /nfs/dbraw/zinc/97/87/12/382978712.db2.gz WHCQAOJTZHZAKO-BQFCYCMXSA-N 2 0 289.467 2.757 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422783426 382979162 /nfs/dbraw/zinc/97/91/62/382979162.db2.gz LCAWONPWVOXYBV-MSOLQXFVSA-N 2 0 289.467 2.758 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c[nH]c2c1 ZINC000422843467 382983685 /nfs/dbraw/zinc/98/36/85/382983685.db2.gz IJZZQLLTHHTDFF-OLZOCXBDSA-N 2 0 259.397 2.734 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422839823 382983865 /nfs/dbraw/zinc/98/38/65/382983865.db2.gz RMJQUZBWLSNQMX-QZWWFDLISA-N 2 0 281.488 2.760 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422859014 382983879 /nfs/dbraw/zinc/98/38/79/382983879.db2.gz JIPSKEPWSMSRDJ-QAPCUYQASA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCCS1 ZINC000422878430 382985932 /nfs/dbraw/zinc/98/59/32/382985932.db2.gz TTZCTMVIOIANBP-BPUTZDHNSA-N 2 0 278.465 2.820 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422884221 382986009 /nfs/dbraw/zinc/98/60/09/382986009.db2.gz DOLJYNNKKLTZSO-HLLBOEOZSA-N 2 0 260.425 2.965 20 0 CFADRP C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)C1C[NH2+]C1 ZINC000422909451 382987214 /nfs/dbraw/zinc/98/72/14/382987214.db2.gz OAZYCCNFIHAFES-LBPRGKRZSA-N 2 0 262.422 2.509 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422913992 382988353 /nfs/dbraw/zinc/98/83/53/382988353.db2.gz ZPHAZZZICUDMBM-OIISXLGYSA-N 2 0 258.409 2.966 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969623 382989190 /nfs/dbraw/zinc/98/91/90/382989190.db2.gz UXTRFVDJEXQVJH-NJINODPHSA-N 3 0 281.488 2.745 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422969644 382989537 /nfs/dbraw/zinc/98/95/37/382989537.db2.gz VAIBZQZGPGSDGF-DZUCGIPZSA-N 2 0 258.409 2.910 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H](CCCO)c2ccccc2)CC1 ZINC000422974180 382990881 /nfs/dbraw/zinc/99/08/81/382990881.db2.gz DKCFKQCQBMXFMJ-BDVYOWHSSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccc1O ZINC000422974217 382991042 /nfs/dbraw/zinc/99/10/42/382991042.db2.gz QNQZHTFPMYQRKQ-GDBMZVCRSA-N 2 0 276.424 2.835 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000579225403 382993859 /nfs/dbraw/zinc/99/38/59/382993859.db2.gz IQEUOPUSINCFPI-HOTGVXAUSA-N 2 0 284.407 2.622 20 0 CFADRP CCCCOc1ncccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422978412 382993877 /nfs/dbraw/zinc/99/38/77/382993877.db2.gz ZJYHFMXGMCDWFI-HOCLYGCPSA-N 2 0 291.439 2.868 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000579225405 382994016 /nfs/dbraw/zinc/99/40/16/382994016.db2.gz IQEUOPUSINCFPI-HZPDHXFCSA-N 2 0 284.407 2.622 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000422979954 382994193 /nfs/dbraw/zinc/99/41/93/382994193.db2.gz NYVMAGQOZXXNKD-SJCJKPOMSA-N 2 0 297.402 2.892 20 0 CFADRP CCC[C@@H](C)[NH+](C)CC(O)C[N@@H+](C)[C@H](C)CCC ZINC000447127920 382995269 /nfs/dbraw/zinc/99/52/69/382995269.db2.gz KKHHDIMGTIMKKA-ZIAGYGMSSA-N 2 0 258.450 2.588 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422981862 382995407 /nfs/dbraw/zinc/99/54/07/382995407.db2.gz UTRDETSYKFZMNG-YESZJQIVSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000422794845 532965546 /nfs/dbraw/zinc/96/55/46/532965546.db2.gz GZNSBBFHFWXDQM-ZJUUUORDSA-N 2 0 258.312 2.503 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCCC2)c2ccccc21 ZINC000423023559 383017768 /nfs/dbraw/zinc/01/77/68/383017768.db2.gz JYZXMDUCZIGOAD-XYPHTWIQSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422989453 382998846 /nfs/dbraw/zinc/99/88/46/382998846.db2.gz LVMSHCMQTLVYTG-CJNGLKHVSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000422780899 532965611 /nfs/dbraw/zinc/96/56/11/532965611.db2.gz KYXAEDDKJMVDJG-ZJUUUORDSA-N 2 0 260.303 2.921 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422996202 383001348 /nfs/dbraw/zinc/00/13/48/383001348.db2.gz LHKCBPYTXRHIJN-BBWFWOEESA-N 2 0 273.424 2.525 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2ccccn2)c2ccccc21 ZINC000422996116 383001515 /nfs/dbraw/zinc/00/15/15/383001515.db2.gz KYFWCZJIMBLFIE-DLBZAZTESA-N 2 0 267.376 2.749 20 0 CFADRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422994707 383001880 /nfs/dbraw/zinc/00/18/80/383001880.db2.gz IMSUOHAEZPWILY-JKSUJKDBSA-N 2 0 269.477 2.604 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422999322 383002885 /nfs/dbraw/zinc/00/28/85/383002885.db2.gz SJIDQNAVISVUOK-HUUCEWRRSA-N 2 0 290.455 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245549861 383005454 /nfs/dbraw/zinc/00/54/54/383005454.db2.gz GXXJPJQVNNTDEV-ZBFHGGJFSA-N 2 0 276.424 2.561 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423002489 383005522 /nfs/dbraw/zinc/00/55/22/383005522.db2.gz ZARFSJZAVUJIDZ-OKZBNKHCSA-N 2 0 287.451 2.915 20 0 CFADRP CC(C)[NH+](CCCN[C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000423003138 383005595 /nfs/dbraw/zinc/00/55/95/383005595.db2.gz HCKSLQKRDWKZLG-JKSUJKDBSA-N 2 0 269.477 2.616 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000423002580 383006027 /nfs/dbraw/zinc/00/60/27/383006027.db2.gz JPZQZPZVRIKJPW-QWHCGFSZSA-N 2 0 264.413 2.688 20 0 CFADRP C=Cn1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cn1 ZINC000447797054 383006446 /nfs/dbraw/zinc/00/64/46/383006446.db2.gz FYCCOCQMMWJRJT-UHFFFAOYSA-N 2 0 276.428 2.537 20 0 CFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000423005450 383007297 /nfs/dbraw/zinc/00/72/97/383007297.db2.gz MBBPPCFXDSQHBG-IAOVAPTHSA-N 2 0 296.418 2.803 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000423004308 383007352 /nfs/dbraw/zinc/00/73/52/383007352.db2.gz JQWGKSBHHXIZOP-DOTOQJQBSA-N 2 0 299.418 2.993 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423006747 383008128 /nfs/dbraw/zinc/00/81/28/383008128.db2.gz PECRRKSRTFMOPL-GVDBMIGSSA-N 2 0 294.483 2.830 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000549526902 383009481 /nfs/dbraw/zinc/00/94/81/383009481.db2.gz YNEYZYJGEMSHKY-SJLPKXTDSA-N 2 0 295.515 2.817 20 0 CFADRP COC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423013171 383011516 /nfs/dbraw/zinc/01/15/16/383011516.db2.gz FICNSDARVLOCEE-IJGSQOGDSA-N 2 0 298.377 2.759 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423014496 383011727 /nfs/dbraw/zinc/01/17/27/383011727.db2.gz PGBPIBDSFDCZMZ-JLJPHGGASA-N 2 0 276.424 2.591 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423014649 383012223 /nfs/dbraw/zinc/01/22/23/383012223.db2.gz PKKVYNRBALQXAK-CFVMTHIKSA-N 2 0 268.445 2.545 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000579408764 383012693 /nfs/dbraw/zinc/01/26/93/383012693.db2.gz PIHZJNUQLKHAMM-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423016473 383012939 /nfs/dbraw/zinc/01/29/39/383012939.db2.gz SZTGVBCCPUIVMK-HIFRSBDPSA-N 2 0 296.842 2.998 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccnc(OC3CCC3)c2)CC1 ZINC000423015046 383013049 /nfs/dbraw/zinc/01/30/49/383013049.db2.gz QGDIOALNUNDWFB-UHFFFAOYSA-N 2 0 289.423 2.620 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1(C)C ZINC000423018060 383014339 /nfs/dbraw/zinc/01/43/39/383014339.db2.gz QASPXJFFERUYHS-PDUOOLKUSA-N 2 0 291.439 2.559 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000578937850 382967295 /nfs/dbraw/zinc/96/72/95/382967295.db2.gz OIYIAOLMXHBPKA-HNNXBMFYSA-N 2 0 276.424 2.831 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423046712 383028327 /nfs/dbraw/zinc/02/83/27/383028327.db2.gz UKLMWNLICOKMBO-VCTAVGKDSA-N 2 0 297.805 2.527 20 0 CFADRP C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000423047303 383029717 /nfs/dbraw/zinc/02/97/17/383029717.db2.gz GCLWSEZKLYETSI-LRDDRELGSA-N 2 0 289.398 2.590 20 0 CFADRP COCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(C)o1 ZINC000423048210 383029960 /nfs/dbraw/zinc/02/99/60/383029960.db2.gz VZIRKNHQSBKPBR-NRXISQOPSA-N 2 0 280.412 2.773 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000423048966 383030466 /nfs/dbraw/zinc/03/04/66/383030466.db2.gz JMHIXQYXYIAOTJ-BPUTZDHNSA-N 2 0 266.429 2.609 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccn1 ZINC000579580795 383030928 /nfs/dbraw/zinc/03/09/28/383030928.db2.gz KPUNPUKIJQVHMV-INIZCTEOSA-N 2 0 261.413 2.758 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423049727 383031097 /nfs/dbraw/zinc/03/10/97/383031097.db2.gz KOSZAJLOXRHJBX-KCQAQPDRSA-N 2 0 276.424 2.831 20 0 CFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccccc1)[NH+](C)C ZINC000423051268 383031371 /nfs/dbraw/zinc/03/13/71/383031371.db2.gz MWNYGUJZWRGYAP-WUOJDRAKSA-N 2 0 287.451 2.550 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423053616 383032403 /nfs/dbraw/zinc/03/24/03/383032403.db2.gz AVPAPNGBHBGBQT-KGLIPLIRSA-N 2 0 263.429 2.747 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423054722 383032906 /nfs/dbraw/zinc/03/29/06/383032906.db2.gz UUNQFCDQUBVVEN-RYUDHWBXSA-N 2 0 277.387 2.575 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000423390797 383078389 /nfs/dbraw/zinc/07/83/89/383078389.db2.gz KNOSQIVFGWYGAR-JBLDHEPKSA-N 2 0 267.442 2.663 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423061921 383037445 /nfs/dbraw/zinc/03/74/45/383037445.db2.gz RZQCFGSXHINYSE-CABCVRRESA-N 2 0 264.438 2.767 20 0 CFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000245826380 383038125 /nfs/dbraw/zinc/03/81/25/383038125.db2.gz AZQLROPENZHAQX-NUJGCVRESA-N 2 0 289.467 2.579 20 0 CFADRP COc1c2ccccc2oc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423069479 383039891 /nfs/dbraw/zinc/03/98/91/383039891.db2.gz LQZCZERYLIGFAC-NSHDSACASA-N 2 0 262.353 2.658 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423069402 383040215 /nfs/dbraw/zinc/04/02/15/383040215.db2.gz LKBAAZAIZFZVOM-VBNZEHGJSA-N 2 0 274.408 2.796 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089952 383041370 /nfs/dbraw/zinc/04/13/70/383041370.db2.gz WGLYAKGWLDAREN-IAOMBJDPSA-N 2 0 292.398 2.545 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423095957 383041385 /nfs/dbraw/zinc/04/13/85/383041385.db2.gz GOFJHTQVAKWFPT-IRXDYDNUSA-N 2 0 293.499 2.750 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423073804 383041942 /nfs/dbraw/zinc/04/19/42/383041942.db2.gz JWLUFNDGEBSVRH-NUJGCVRESA-N 2 0 293.499 2.904 20 0 CFADRP C1C(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423103661 383042663 /nfs/dbraw/zinc/04/26/63/383042663.db2.gz XTGQXAQXKLPSJO-NHHFINERSA-N 2 0 291.483 2.514 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000423108207 383042783 /nfs/dbraw/zinc/04/27/83/383042783.db2.gz FSIPOKWLFBSHEJ-RRCSTGOVSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000423104445 383042843 /nfs/dbraw/zinc/04/28/43/383042843.db2.gz BKNZDDHFRWEPGL-QWHCGFSZSA-N 2 0 260.372 2.919 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc2[nH]1 ZINC000423121420 383043419 /nfs/dbraw/zinc/04/34/19/383043419.db2.gz IRTMQFRYRNFPQG-YESZJQIVSA-N 2 0 298.434 2.963 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423124406 383043954 /nfs/dbraw/zinc/04/39/54/383043954.db2.gz GOKVXNIYCGLYMM-SQWLQELKSA-N 2 0 291.414 2.512 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000423131077 383044199 /nfs/dbraw/zinc/04/41/99/383044199.db2.gz NNYNWGNDEDMXEV-QIMFLAQGSA-N 2 0 296.361 2.896 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142860 383044927 /nfs/dbraw/zinc/04/49/27/383044927.db2.gz BLLYXSBMCZUAPG-VQJWOFKYSA-N 2 0 254.393 2.777 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140165 383045034 /nfs/dbraw/zinc/04/50/34/383045034.db2.gz XPDJOHIJAVXMSR-CVEARBPZSA-N 3 0 267.461 2.502 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCCC1 ZINC000423147787 383045148 /nfs/dbraw/zinc/04/51/48/383045148.db2.gz DKIMIJRHKGSQDP-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]([NH2+]C1CCc2ccccc2CC1)[C@@H]1CCC[NH2+]1 ZINC000423161975 383046183 /nfs/dbraw/zinc/04/61/83/383046183.db2.gz OKUCUGDYJNIWIL-GUYCJALGSA-N 2 0 258.409 2.664 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C12CCC2 ZINC000423172121 383047718 /nfs/dbraw/zinc/04/77/18/383047718.db2.gz RKSBGDGGGCJOGT-LVQVYYBASA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)CC(F)(F)F ZINC000423178224 383047730 /nfs/dbraw/zinc/04/77/30/383047730.db2.gz ICOMYHWGPRYUFV-DCAQKATOSA-N 2 0 252.324 2.553 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)CC(F)(F)F ZINC000423173802 383047959 /nfs/dbraw/zinc/04/79/59/383047959.db2.gz ACUHLNQOGIXLSN-SDDRHHMPSA-N 2 0 266.351 2.943 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CC(F)(F)F ZINC000423189464 383048875 /nfs/dbraw/zinc/04/88/75/383048875.db2.gz REHYEBWNKUGJIZ-GARJFASQSA-N 2 0 252.324 2.825 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245934470 383049982 /nfs/dbraw/zinc/04/99/82/383049982.db2.gz SXXUNWSZMUFAFN-YYIAUSFCSA-N 2 0 294.483 2.900 20 0 CFADRP C[NH2+]CCN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423222494 383051938 /nfs/dbraw/zinc/05/19/38/383051938.db2.gz BHUWNUIPKNGXNT-LLVKDONJSA-N 2 0 259.180 2.790 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000423391089 383079357 /nfs/dbraw/zinc/07/93/57/383079357.db2.gz PGQRZHYVNXZFPO-IAGOWNOFSA-N 2 0 274.408 2.583 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000423284106 383055155 /nfs/dbraw/zinc/05/51/55/383055155.db2.gz XSTHFOYTPTWWOK-KNXALSJPSA-N 2 0 262.372 2.920 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000423298294 383057050 /nfs/dbraw/zinc/05/70/50/383057050.db2.gz NZJWNMIOQSSNKV-OCCSQVGLSA-N 2 0 293.386 2.706 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423315781 383058002 /nfs/dbraw/zinc/05/80/02/383058002.db2.gz AJGRYCIKGWFRIY-GDBMZVCRSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000423328905 383058147 /nfs/dbraw/zinc/05/81/47/383058147.db2.gz AYQICVOGPVMCDK-NSHDSACASA-N 2 0 277.437 2.592 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@H]1OC ZINC000423322451 383058177 /nfs/dbraw/zinc/05/81/77/383058177.db2.gz HEUACWZZMAJOGF-ZIAGYGMSSA-N 2 0 268.445 2.559 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246012756 383058349 /nfs/dbraw/zinc/05/83/49/383058349.db2.gz RXQLUSIYAJVRIX-CVEARBPZSA-N 2 0 283.419 2.927 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000423352221 383059758 /nfs/dbraw/zinc/05/97/58/383059758.db2.gz KESDRVITJAURJK-CQSZACIVSA-N 2 0 296.418 2.657 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423353308 383060721 /nfs/dbraw/zinc/06/07/21/383060721.db2.gz LQCRPWHCVREGTI-NVXWUHKLSA-N 2 0 271.408 2.617 20 0 CFADRP COC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423353718 383061585 /nfs/dbraw/zinc/06/15/85/383061585.db2.gz MFFIFDDPOZBSGV-HNNXBMFYSA-N 2 0 280.799 2.537 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423354814 383062611 /nfs/dbraw/zinc/06/26/11/383062611.db2.gz HBWHRJBSDKNZOK-ZIAGYGMSSA-N 2 0 292.423 2.805 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423360296 383063256 /nfs/dbraw/zinc/06/32/56/383063256.db2.gz LFDCYCJPDKVVDA-SGIREYDYSA-N 2 0 262.372 2.791 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000423363881 383065260 /nfs/dbraw/zinc/06/52/60/383065260.db2.gz OFETZGOJAQYKRF-HUUCEWRRSA-N 2 0 290.407 2.641 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000423373511 383069654 /nfs/dbraw/zinc/06/96/54/383069654.db2.gz HBSKHLQSUXIOLO-GJEMEMOUSA-N 2 0 280.456 2.987 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423378504 383072374 /nfs/dbraw/zinc/07/23/74/383072374.db2.gz LDKMMXCZVQOAGB-ZAZJUGBXSA-N 2 0 258.409 2.909 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423378735 383072429 /nfs/dbraw/zinc/07/24/29/383072429.db2.gz ZROFZZPDODTYKJ-CJNGLKHVSA-N 2 0 259.397 2.665 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC000423380440 383073228 /nfs/dbraw/zinc/07/32/28/383073228.db2.gz MQYQMBYCWODZGM-TXCZRRACSA-N 2 0 273.424 2.838 20 0 CFADRP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423379371 383073585 /nfs/dbraw/zinc/07/35/85/383073585.db2.gz XKLMKPKUAZPKOB-KKUMJFAQSA-N 2 0 282.815 2.887 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000579991308 383073734 /nfs/dbraw/zinc/07/37/34/383073734.db2.gz JNJVISDLCLIFJD-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2Cc3ccccc3C2)C1 ZINC000580028039 383076316 /nfs/dbraw/zinc/07/63/16/383076316.db2.gz KCPBNSSIALTMJO-OAHLLOKOSA-N 2 0 272.436 2.675 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423383438 383076437 /nfs/dbraw/zinc/07/64/37/383076437.db2.gz FCYFVRQLIAERJQ-KTQGLZRJSA-N 2 0 262.372 2.647 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1cccc(OC)c1 ZINC000423387320 383077327 /nfs/dbraw/zinc/07/73/27/383077327.db2.gz RYHKTCJKZWTFOU-NOLJZWGESA-N 2 0 262.397 2.876 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCOC(C)C ZINC000423027330 383019004 /nfs/dbraw/zinc/01/90/04/383019004.db2.gz DAQFFFBDHFYUAT-ZDUSSCGKSA-N 2 0 279.428 2.705 20 0 CFADRP C[C@H]1C[C@@H](NCc2nc(-c3ccccc3)c[nH]2)CC[N@@H+]1C ZINC000447857408 383019285 /nfs/dbraw/zinc/01/92/85/383019285.db2.gz WYBDQZYIZCBJPX-ZFWWWQNUSA-N 2 0 284.407 2.649 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCS1 ZINC000423030172 383019432 /nfs/dbraw/zinc/01/94/32/383019432.db2.gz JKBXGIWOKNCGNB-CWRNSKLLSA-N 2 0 278.465 2.820 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(C)(C)C ZINC000423028900 383019522 /nfs/dbraw/zinc/01/95/22/383019522.db2.gz HGIWDPGYUDOPPN-YNEHKIRRSA-N 2 0 258.475 2.871 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423031091 383020910 /nfs/dbraw/zinc/02/09/10/383020910.db2.gz WOTXXAFBUHEDMV-AJNGGQMLSA-N 2 0 268.445 2.700 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423035642 383022468 /nfs/dbraw/zinc/02/24/68/383022468.db2.gz SDYHINKPIWCFMS-CZUORRHYSA-N 2 0 279.403 2.735 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423037294 383023331 /nfs/dbraw/zinc/02/33/31/383023331.db2.gz MOTMBHZTNFPOKU-WBQNTZJQSA-N 2 0 292.398 2.776 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000423037030 383023457 /nfs/dbraw/zinc/02/34/57/383023457.db2.gz VHFAZECYQIRWPA-FZMZJTMJSA-N 2 0 279.453 2.785 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423039157 383025031 /nfs/dbraw/zinc/02/50/31/383025031.db2.gz PZKLSSULPRRUMY-LBDPXKHJSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423038240 383025128 /nfs/dbraw/zinc/02/51/28/383025128.db2.gz OCUPYIJLYBTCQA-RTXFEEFZSA-N 2 0 267.442 2.662 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423385717 383077713 /nfs/dbraw/zinc/07/77/13/383077713.db2.gz GXXOXDZPCVWYHL-WKPIXPDZSA-N 2 0 264.800 2.915 20 0 CFADRP c1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423493763 383119995 /nfs/dbraw/zinc/11/99/95/383119995.db2.gz RDIKNXWYRWFCPL-QZTJIDSGSA-N 2 0 288.435 2.886 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000423492174 383120115 /nfs/dbraw/zinc/12/01/15/383120115.db2.gz LZMBRICCFYMFOD-DLOVCJGASA-N 2 0 267.442 2.792 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000246909726 383120492 /nfs/dbraw/zinc/12/04/92/383120492.db2.gz FUUKSMRQEVFZKW-UONOGXRCSA-N 2 0 281.469 2.847 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423495454 383121738 /nfs/dbraw/zinc/12/17/38/383121738.db2.gz FLMJYKQROPUJCH-HNWLLIRGSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccs1 ZINC000423499039 383122636 /nfs/dbraw/zinc/12/26/36/383122636.db2.gz ADQICUQOMQEFHM-WLYUNCDWSA-N 2 0 293.480 2.615 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000423497680 383122661 /nfs/dbraw/zinc/12/26/61/383122661.db2.gz HFROOAAPEHVJKN-HYVNUMGLSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000423499704 383122754 /nfs/dbraw/zinc/12/27/54/383122754.db2.gz IEHLWJOAHQGGCF-DJSGYFEHSA-N 2 0 262.372 2.920 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423502223 383124209 /nfs/dbraw/zinc/12/42/09/383124209.db2.gz JVKXYIANPGQUTH-MJVIPROJSA-N 2 0 278.371 2.539 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000423542237 383125954 /nfs/dbraw/zinc/12/59/54/383125954.db2.gz MFDHJWDRLRFGJZ-GUDXXQAFSA-N 2 0 290.838 2.785 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000246979515 383128274 /nfs/dbraw/zinc/12/82/74/383128274.db2.gz DXBUMYYWUBFELB-KZNAEPCWSA-N 2 0 291.483 2.586 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247004765 383130419 /nfs/dbraw/zinc/13/04/19/383130419.db2.gz LXFPJPSYIGMUCC-HOTGVXAUSA-N 2 0 269.477 2.571 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000247127593 383146323 /nfs/dbraw/zinc/14/63/23/383146323.db2.gz QCJHHRNFJLNVEX-BFHYXJOUSA-N 2 0 268.445 2.795 20 0 CFADRP COc1cc([C@@H](C)NC2CC[NH+](CC(C)C)CC2)ccn1 ZINC000554403744 383133341 /nfs/dbraw/zinc/13/33/41/383133341.db2.gz CWTXHICCCUIQNX-CQSZACIVSA-N 2 0 291.439 2.861 20 0 CFADRP COc1cc(F)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000449016938 383134037 /nfs/dbraw/zinc/13/40/37/383134037.db2.gz OJLOUCSKBRATPX-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP COc1cc(F)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000449021752 383136959 /nfs/dbraw/zinc/13/69/59/383136959.db2.gz FANVHKMUKMZQFN-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339068227 383138167 /nfs/dbraw/zinc/13/81/67/383138167.db2.gz NCKYBSGFUAIYEP-CABCVRRESA-N 2 0 292.398 2.593 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000339068230 383138447 /nfs/dbraw/zinc/13/84/47/383138447.db2.gz NCKYBSGFUAIYEP-LSDHHAIUSA-N 2 0 292.398 2.593 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069695 383138909 /nfs/dbraw/zinc/13/89/09/383138909.db2.gz ZHASOZHCWZVNOX-BMFZPTHFSA-N 2 0 292.398 2.809 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000503945915 383140300 /nfs/dbraw/zinc/14/03/00/383140300.db2.gz IFOQPOORDVFZID-AAVRWANBSA-N 2 0 288.382 2.753 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000247078340 383140797 /nfs/dbraw/zinc/14/07/97/383140797.db2.gz WWIULXOLHBOYFE-GJZGRUSLSA-N 2 0 292.398 2.541 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCC=C(C)C)CC[NH2+]CC1 ZINC000423399232 383081669 /nfs/dbraw/zinc/08/16/69/383081669.db2.gz UHIGDQDPQXJCCW-OAHLLOKOSA-N 2 0 268.445 2.727 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C12CCCC2 ZINC000423398159 383082102 /nfs/dbraw/zinc/08/21/02/383082102.db2.gz UBIPOGVMLGNKFU-CBBWQLFWSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000423399660 383083175 /nfs/dbraw/zinc/08/31/75/383083175.db2.gz PSQNLNUIBGVULJ-JKIFEVAISA-N 2 0 284.407 2.521 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccs1 ZINC000246589531 383083493 /nfs/dbraw/zinc/08/34/93/383083493.db2.gz ZHCAMBSOVYOJHV-MGPQQGTHSA-N 2 0 297.468 2.683 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246577831 383083964 /nfs/dbraw/zinc/08/39/64/383083964.db2.gz VIYFBBSQGKIMGM-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C2CC2)c1 ZINC000423402850 383084598 /nfs/dbraw/zinc/08/45/98/383084598.db2.gz WSGQMKCSRFDJTL-RYRKJORJSA-N 2 0 288.435 2.876 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423404612 383084687 /nfs/dbraw/zinc/08/46/87/383084687.db2.gz SOHOOJSXNZWIDQ-HSMVNMDESA-N 2 0 282.378 2.874 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccncc1 ZINC000423406952 383085605 /nfs/dbraw/zinc/08/56/05/383085605.db2.gz ZNRYHPHEXJGVMS-QGZVFWFLSA-N 2 0 267.376 2.926 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423410038 383086244 /nfs/dbraw/zinc/08/62/44/383086244.db2.gz ZOLVCIIUAKFXOA-XOKHGSTOSA-N 2 0 258.409 2.595 20 0 CFADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000423407576 383086380 /nfs/dbraw/zinc/08/63/80/383086380.db2.gz WACXKDQPGNEAMA-COXVUDFISA-N 2 0 294.414 2.881 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423408315 383086581 /nfs/dbraw/zinc/08/65/81/383086581.db2.gz XGFXLMFUILCRNG-SRABZTEZSA-N 2 0 273.424 2.695 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C1(CC)CC ZINC000423410285 383088199 /nfs/dbraw/zinc/08/81/99/383088199.db2.gz ZURLALBOVSKRGO-APIJFGDWSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1O ZINC000423420990 383090694 /nfs/dbraw/zinc/09/06/94/383090694.db2.gz BYLFAWXEJOQOGC-RYUDHWBXSA-N 2 0 266.385 2.569 20 0 CFADRP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423424039 383091020 /nfs/dbraw/zinc/09/10/20/383091020.db2.gz FHTCRTPTIGMIFJ-GAUGTXIDSA-N 2 0 276.811 2.784 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423422843 383091073 /nfs/dbraw/zinc/09/10/73/383091073.db2.gz ZEMZZTMFZJKVBX-KZNAEPCWSA-N 2 0 288.435 2.681 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423422842 383091178 /nfs/dbraw/zinc/09/11/78/383091178.db2.gz ZEMZZTMFZJKVBX-FGTMMUONSA-N 2 0 288.435 2.681 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000423426447 383091821 /nfs/dbraw/zinc/09/18/21/383091821.db2.gz PFVLQFNHSDLSGE-KKUMJFAQSA-N 2 0 278.444 2.880 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C12CCCC2 ZINC000423426548 383091965 /nfs/dbraw/zinc/09/19/65/383091965.db2.gz FHOVYTLHMRKVLN-YLFCFFPRSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423428567 383092558 /nfs/dbraw/zinc/09/25/58/383092558.db2.gz JLKPANWWWUQCMH-YJBOKZPZSA-N 2 0 298.434 2.868 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cnn1C(C)C ZINC000423428514 383092647 /nfs/dbraw/zinc/09/26/47/383092647.db2.gz JGJCUAMQBMNFKV-OLZOCXBDSA-N 2 0 266.433 2.941 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423428879 383092801 /nfs/dbraw/zinc/09/28/01/383092801.db2.gz JQUYZVWOJXELLM-BYNSBNAKSA-N 2 0 250.430 2.789 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430113 383092929 /nfs/dbraw/zinc/09/29/29/383092929.db2.gz HVEKVVBHDANTLN-KGYLQXTDSA-N 2 0 280.437 2.795 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423429736 383092989 /nfs/dbraw/zinc/09/29/89/383092989.db2.gz KKSXOEVRGXQSMN-IUODEOHRSA-N 2 0 290.386 2.745 20 0 CFADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431742 383093626 /nfs/dbraw/zinc/09/36/26/383093626.db2.gz NXKRWLDZNDMWDC-BSLXNSKLSA-N 2 0 298.352 2.834 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000423430898 383093932 /nfs/dbraw/zinc/09/39/32/383093932.db2.gz UYTNWMQWPZRRTH-RAIGVLPGSA-N 2 0 267.442 2.867 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000552931193 383094057 /nfs/dbraw/zinc/09/40/57/383094057.db2.gz GJTHKXUGKAGBJN-IAGOWNOFSA-N 2 0 280.456 2.677 20 0 CFADRP C1CC1[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC000423435974 383095092 /nfs/dbraw/zinc/09/50/92/383095092.db2.gz PBJTWHQODMTBMN-GVDBMIGSSA-N 2 0 262.441 2.933 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423435506 383095305 /nfs/dbraw/zinc/09/53/05/383095305.db2.gz OTCMGEIKEGAGBY-LZWOXQAQSA-N 2 0 264.413 2.870 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C(C)C ZINC000423441547 383097293 /nfs/dbraw/zinc/09/72/93/383097293.db2.gz PGJRANAOHKJAIS-YLQAJVPDSA-N 2 0 290.455 2.811 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423445166 383098566 /nfs/dbraw/zinc/09/85/66/383098566.db2.gz MGWZURZEPZMZSO-VOAKCMCISA-N 2 0 250.386 2.513 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@@H]1C1CC[NH2+]CC1 ZINC000423446140 383099046 /nfs/dbraw/zinc/09/90/46/383099046.db2.gz SMBZVXXMQHLZSB-FLXSYLCISA-N 2 0 292.467 2.559 20 0 CFADRP Clc1ccc([C@H]2CC[C@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423448598 383099870 /nfs/dbraw/zinc/09/98/70/383099870.db2.gz FHTCRTPTIGMIFJ-AFHWFKKNSA-N 2 0 276.811 2.784 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423461432 383103732 /nfs/dbraw/zinc/10/37/32/383103732.db2.gz CNBGWJOHOVIIPP-UBHSHLNASA-N 2 0 265.376 2.779 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423461556 383103901 /nfs/dbraw/zinc/10/39/01/383103901.db2.gz JUJUTWGCUMZVRN-HRCADAONSA-N 2 0 276.424 2.697 20 0 CFADRP COC1(CC[NH+]2CCC(Cc3nccn3C)CC2)CCC1 ZINC000338973007 383104777 /nfs/dbraw/zinc/10/47/77/383104777.db2.gz OHTRBCKOPUGLKT-UHFFFAOYSA-N 2 0 291.439 2.634 20 0 CFADRP C[C@@H](N[C@@H](C)c1ccc(Br)cc1F)[C@H](C)[NH3+] ZINC000423462634 383105002 /nfs/dbraw/zinc/10/50/02/383105002.db2.gz KWZXLROTHOTKSU-YIZRAAEISA-N 2 0 289.192 2.975 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423462791 383105403 /nfs/dbraw/zinc/10/54/03/383105403.db2.gz PLXAUPVLEKJEOL-AHIWAGSCSA-N 2 0 274.408 2.885 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(Br)cc1F ZINC000423462633 383105416 /nfs/dbraw/zinc/10/54/16/383105416.db2.gz KWZXLROTHOTKSU-VGMNWLOBSA-N 2 0 289.192 2.975 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000423469080 383107676 /nfs/dbraw/zinc/10/76/76/383107676.db2.gz YKFRFDSGNKPLBM-ZWNOBZJWSA-N 2 0 266.360 2.539 20 0 CFADRP CC[C@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423470236 383108689 /nfs/dbraw/zinc/10/86/89/383108689.db2.gz PBTYKVMAGQTDOR-FJIDUMEYSA-N 2 0 287.451 2.509 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423472077 383109361 /nfs/dbraw/zinc/10/93/61/383109361.db2.gz XFRNZGDKLVZXOW-GUTXKFCHSA-N 2 0 262.397 2.863 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423472480 383109562 /nfs/dbraw/zinc/10/95/62/383109562.db2.gz FXJAOKKXEIYNCO-KDOFPFPSSA-N 2 0 283.419 2.625 20 0 CFADRP COc1ncc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000423474973 383110404 /nfs/dbraw/zinc/11/04/04/383110404.db2.gz PKAZCMBIXTVJBW-GMXVVIOVSA-N 2 0 297.830 2.912 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584540427 383112055 /nfs/dbraw/zinc/11/20/55/383112055.db2.gz YQMIMYYNTPPQND-MSOLQXFVSA-N 3 0 289.467 2.886 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC2(OC)CCC2)C1 ZINC000339008042 383118308 /nfs/dbraw/zinc/11/83/08/383118308.db2.gz DHEPAARPJHIDIS-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423490047 383118328 /nfs/dbraw/zinc/11/83/28/383118328.db2.gz HISUKZHCENBUHP-JDFRZJQESA-N 2 0 274.408 2.790 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000423491369 383118955 /nfs/dbraw/zinc/11/89/55/383118955.db2.gz JJTIAYFDGNVILT-CQDKDKBSSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423492006 383119185 /nfs/dbraw/zinc/11/91/85/383119185.db2.gz LDBGGEYHJFPWTF-DZKIICNBSA-N 2 0 284.407 2.650 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000423491607 383119197 /nfs/dbraw/zinc/11/91/97/383119197.db2.gz JYBASUSZFNEQCI-FZCLSBEQSA-N 2 0 288.435 2.871 20 0 CFADRP CCC([NH3+])(CC)CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424085726 383177777 /nfs/dbraw/zinc/17/77/77/383177777.db2.gz ZMJJHUNVEVZFIF-HNNXBMFYSA-N 2 0 297.487 2.698 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000566587362 383191382 /nfs/dbraw/zinc/19/13/82/383191382.db2.gz BFZNTFKXFGJUHL-YJBOKZPZSA-N 2 0 298.434 2.644 20 0 CFADRP CC(C)n1cncc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000424156538 383193430 /nfs/dbraw/zinc/19/34/30/383193430.db2.gz MFCYLCRLRUGTMW-UHFFFAOYSA-N 2 0 278.444 2.674 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339413782 383195111 /nfs/dbraw/zinc/19/51/11/383195111.db2.gz ZRMTVCPUPARIJI-JKSUJKDBSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339413243 383195249 /nfs/dbraw/zinc/19/52/49/383195249.db2.gz VWCZOYXGTWXPSG-MRXNPFEDSA-N 2 0 276.424 2.777 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000247944459 383200065 /nfs/dbraw/zinc/20/00/65/383200065.db2.gz HDDZBLQVJULILJ-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566689285 383201085 /nfs/dbraw/zinc/20/10/85/383201085.db2.gz QIHCWPFXFYKGCC-QWHCGFSZSA-N 2 0 268.401 2.907 20 0 CFADRP CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000566732257 383204711 /nfs/dbraw/zinc/20/47/11/383204711.db2.gz PZYFQIVSDDZAMU-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000566725780 383205025 /nfs/dbraw/zinc/20/50/25/383205025.db2.gz CHBIBKTVGZMDSD-SWLSCSKDSA-N 2 0 268.351 2.614 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C)c1 ZINC000248041377 383207622 /nfs/dbraw/zinc/20/76/22/383207622.db2.gz SZWBHQTZAGYBHA-IRXDYDNUSA-N 2 0 289.467 2.894 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC)c2)[C@@H](C)C1 ZINC000247169765 383149779 /nfs/dbraw/zinc/14/97/79/383149779.db2.gz RBDQZRVOIXCKTL-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000566791116 383211107 /nfs/dbraw/zinc/21/11/07/383211107.db2.gz RPGJXBWHPUIXLB-QZTJIDSGSA-N 2 0 298.434 2.681 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)cs1 ZINC000449057998 383154382 /nfs/dbraw/zinc/15/43/82/383154382.db2.gz GAGGPBIVHUTZQX-HNNXBMFYSA-N 2 0 282.453 2.503 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000449061055 383155407 /nfs/dbraw/zinc/15/54/07/383155407.db2.gz HLHSCFIQBFPSAC-HNNXBMFYSA-N 2 0 264.413 2.922 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)O1 ZINC000449083221 383167712 /nfs/dbraw/zinc/16/77/12/383167712.db2.gz SKIHVYQKDGLZEH-DGADGQDISA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)O1 ZINC000449083225 383167868 /nfs/dbraw/zinc/16/78/68/383167868.db2.gz SKIHVYQKDGLZEH-YIDVYQOGSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)C[NH+]1CCCC1 ZINC000449087595 383168690 /nfs/dbraw/zinc/16/86/90/383168690.db2.gz GMDONZUNLNOKJL-KGLIPLIRSA-N 2 0 250.386 2.532 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)COCC(F)(F)F)CC1 ZINC000449380575 383250314 /nfs/dbraw/zinc/25/03/14/383250314.db2.gz NXUPZQJGDPYHSN-GFCCVEGCSA-N 2 0 296.377 2.808 20 0 CFADRP CC(=O)c1cccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000520604033 383265927 /nfs/dbraw/zinc/26/59/27/383265927.db2.gz JHKWFJLTCIMTNS-INIZCTEOSA-N 2 0 283.375 2.612 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CCOCC3)CC2)C1 ZINC000449403992 383268316 /nfs/dbraw/zinc/26/83/16/383268316.db2.gz SQLSTNJSXCLNRC-QAPCUYQASA-N 2 0 292.467 2.966 20 0 CFADRP COCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248184194 383217742 /nfs/dbraw/zinc/21/77/42/383217742.db2.gz XAMAUTYRWFFSBY-ZWKOTPCHSA-N 2 0 288.435 2.619 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccccc2)[C@@H](C)C1 ZINC000248200778 383219161 /nfs/dbraw/zinc/21/91/61/383219161.db2.gz YQFSNNTXSDEFSH-DOTOQJQBSA-N 2 0 275.440 2.809 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000567483072 383279670 /nfs/dbraw/zinc/27/96/70/383279670.db2.gz JPJLVBBUKQNEIP-CABCVRRESA-N 2 0 272.477 2.740 20 0 CFADRP c1cc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)cs1 ZINC000519810427 383237395 /nfs/dbraw/zinc/23/73/95/383237395.db2.gz DQTGPEBUDWLJDO-GFCCVEGCSA-N 2 0 290.436 2.618 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]C[C@H]2CCCC(C)(C)C2)CC1(C)C ZINC000567111484 383242265 /nfs/dbraw/zinc/24/22/65/383242265.db2.gz YFIYYPUVAXAPNB-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000248437078 383242351 /nfs/dbraw/zinc/24/23/51/383242351.db2.gz GUFIFTMNTDUNJN-KDOFPFPSSA-N 2 0 288.435 2.531 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000339818537 383328348 /nfs/dbraw/zinc/32/83/48/383328348.db2.gz CTVSIEKMBLLWBT-JKSUJKDBSA-N 2 0 268.445 2.608 20 0 CFADRP CCCn1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1C ZINC000634732197 383333686 /nfs/dbraw/zinc/33/36/86/383333686.db2.gz AMHITRSPNRRJKA-HNNXBMFYSA-N 2 0 292.471 2.778 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1 ZINC000634732304 383333734 /nfs/dbraw/zinc/33/37/34/383333734.db2.gz CLMGFYCKZHILBA-AWEZNQCLSA-N 2 0 292.423 2.572 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc(OC)c1 ZINC000634732305 383334040 /nfs/dbraw/zinc/33/40/40/383334040.db2.gz CLMGFYCKZHILBA-CQSZACIVSA-N 2 0 292.423 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000634732878 383334851 /nfs/dbraw/zinc/33/48/51/383334851.db2.gz RDPKGKLJCUKKQG-CABCVRRESA-N 2 0 288.435 2.921 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000634733276 383335186 /nfs/dbraw/zinc/33/51/86/383335186.db2.gz BMFFLPIHMBFYTH-OAHLLOKOSA-N 2 0 258.409 2.522 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732875 383335397 /nfs/dbraw/zinc/33/53/97/383335397.db2.gz RAVKEPMKTMOGSO-CQSZACIVSA-N 2 0 262.397 2.563 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000634733347 383335540 /nfs/dbraw/zinc/33/55/40/383335540.db2.gz DBOLFKSCDBHBEF-DLBZAZTESA-N 2 0 272.436 2.912 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732857 383335596 /nfs/dbraw/zinc/33/55/96/383335596.db2.gz QKGFQXBULXWKDZ-INIZCTEOSA-N 2 0 289.423 2.513 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733901 383336255 /nfs/dbraw/zinc/33/62/55/383336255.db2.gz QUZMANCARAWDGP-DZGCQCFKSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1n1ccnc1 ZINC000249400664 383343874 /nfs/dbraw/zinc/34/38/74/383343874.db2.gz SRBARAZSXLVZCC-DLBZAZTESA-N 2 0 290.455 2.642 20 0 CFADRP C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248754058 383288740 /nfs/dbraw/zinc/28/87/40/383288740.db2.gz CMTMNIRHUKIFOL-MNFFZHCASA-N 2 0 294.464 2.775 20 0 CFADRP CC(C)[C@@]1(CO)CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000339701817 383290823 /nfs/dbraw/zinc/29/08/23/383290823.db2.gz NCYLGMQFLDCFBZ-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000459726706 383294921 /nfs/dbraw/zinc/29/49/21/383294921.db2.gz GPINZUREYLFRPJ-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000567641163 383297195 /nfs/dbraw/zinc/29/71/95/383297195.db2.gz ISXHEZCJRLBHTL-DCBWTQNWSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC([NH+](C)C)C2)C1 ZINC000521461229 383297480 /nfs/dbraw/zinc/29/74/80/383297480.db2.gz ZGQJRRVQLYLKKY-SEEUUAMPSA-N 2 0 287.451 2.504 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567646219 383297877 /nfs/dbraw/zinc/29/78/77/383297877.db2.gz WDIFUEDVPJETDR-RDBSUJKOSA-N 2 0 250.386 2.578 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000567654803 383298316 /nfs/dbraw/zinc/29/83/16/383298316.db2.gz DCBKAMDLTVYCQF-UHOFOFEASA-N 2 0 259.397 2.640 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccccc3F)CC[C@H]21 ZINC000248911849 383307514 /nfs/dbraw/zinc/30/75/14/383307514.db2.gz CGMLXXARHUWOQQ-DOTOQJQBSA-N 2 0 276.399 2.784 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000634679270 383308599 /nfs/dbraw/zinc/30/85/99/383308599.db2.gz PJFVCUGRERHFLI-AWEZNQCLSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000567752753 383311385 /nfs/dbraw/zinc/31/13/85/383311385.db2.gz WWCZIZOXDNQFOO-BRWVUGGUSA-N 2 0 290.451 2.648 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000634685359 383316683 /nfs/dbraw/zinc/31/66/83/383316683.db2.gz MMBCYAJROCISHU-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634688192 383320235 /nfs/dbraw/zinc/32/02/35/383320235.db2.gz LGCDZGWKLBEPNJ-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449480862 383322531 /nfs/dbraw/zinc/32/25/31/383322531.db2.gz PLGONQMWENMEGI-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1C[C@H]1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000567865307 383323782 /nfs/dbraw/zinc/32/37/82/383323782.db2.gz UKEHXIRDACENAH-PVAVHDDUSA-N 2 0 258.409 2.897 20 0 CFADRP CSC1(C[NH2+][C@@H](C(C)C)C2CC2)CC[NH+](C)CC1 ZINC000522040151 383324065 /nfs/dbraw/zinc/32/40/65/383324065.db2.gz ZSXKLGDHYXVJEO-AWEZNQCLSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000567870986 383324610 /nfs/dbraw/zinc/32/46/10/383324610.db2.gz DCVUGIFPLNFCCC-GJZGRUSLSA-N 2 0 264.413 2.951 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251701382 383394084 /nfs/dbraw/zinc/39/40/84/383394084.db2.gz NRBVLQGYBUAQFU-SCRDCRAPSA-N 2 0 250.361 2.946 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340259389 383394639 /nfs/dbraw/zinc/39/46/39/383394639.db2.gz NENQHWALEISUTJ-KRWDZBQOSA-N 2 0 293.499 2.715 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340276251 383399066 /nfs/dbraw/zinc/39/90/66/383399066.db2.gz FOIFRFOBSUKBGM-OLZOCXBDSA-N 2 0 260.372 2.695 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000340284472 383404063 /nfs/dbraw/zinc/40/40/63/383404063.db2.gz VPKXAWWOUOSJFB-QGZVFWFLSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000252147659 383404630 /nfs/dbraw/zinc/40/46/30/383404630.db2.gz ODYJOOGDDXABCC-ZJPYXAASSA-N 2 0 295.515 2.673 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000568499549 383409001 /nfs/dbraw/zinc/40/90/01/383409001.db2.gz SJXIRUPWPDDTJW-CYBMUJFWSA-N 2 0 250.386 2.654 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000449558749 383355593 /nfs/dbraw/zinc/35/55/93/383355593.db2.gz ZRJYGLQSVJPPBV-ZOBUZTSGSA-N 2 0 281.488 2.569 20 0 CFADRP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000449625130 383357988 /nfs/dbraw/zinc/35/79/88/383357988.db2.gz AXNUTLADRGQZPF-DOMZBBRYSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3CO)CC2)C1 ZINC000449712080 383361801 /nfs/dbraw/zinc/36/18/01/383361801.db2.gz PWAOVHUJKOYHBD-JOCBIADPSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000249986015 383368446 /nfs/dbraw/zinc/36/84/46/383368446.db2.gz MLSCTHZMTWHBFD-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000250234264 383373853 /nfs/dbraw/zinc/37/38/53/383373853.db2.gz DGAFJJBEHRUVHY-GVDBMIGSSA-N 2 0 273.424 2.525 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000470000884 383374876 /nfs/dbraw/zinc/37/48/76/383374876.db2.gz SZDPNMAKHKJDJJ-AWEZNQCLSA-N 2 0 276.424 2.730 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250544158 383377885 /nfs/dbraw/zinc/37/78/85/383377885.db2.gz XKYDACOGXVRODD-RCCFBDPRSA-N 2 0 288.435 2.966 20 0 CFADRP Fc1cc(F)cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250767886 383380131 /nfs/dbraw/zinc/38/01/31/383380131.db2.gz XPACBUJBEGKAMD-CVEARBPZSA-N 2 0 280.362 2.724 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCS1 ZINC000250858314 383381680 /nfs/dbraw/zinc/38/16/80/383381680.db2.gz PVGRBDOPPQEDQZ-BARDWOONSA-N 2 0 268.470 2.782 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000524751298 383382488 /nfs/dbraw/zinc/38/24/88/383382488.db2.gz PUBXBBOEQDOFEH-KRWDZBQOSA-N 2 0 295.515 2.913 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250965276 383383853 /nfs/dbraw/zinc/38/38/53/383383853.db2.gz BUHWYLCZDXOTPH-XIRDDKMYSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H]1CCN(CC[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000524771347 383383937 /nfs/dbraw/zinc/38/39/37/383383937.db2.gz HQDLKTJDCMBGKS-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP COC(C)(C)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000526057288 383425898 /nfs/dbraw/zinc/42/58/98/383425898.db2.gz GYAPVOPHZFQYLO-UHFFFAOYSA-N 2 0 270.461 2.854 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000340474009 383433080 /nfs/dbraw/zinc/43/30/80/383433080.db2.gz GBVLJMMGGZMWIA-UHFFFAOYSA-N 3 0 281.488 2.715 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000340473813 383433094 /nfs/dbraw/zinc/43/30/94/383433094.db2.gz QIORXRQXKWHVLQ-HNNXBMFYSA-N 2 0 298.434 2.973 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473314 383433163 /nfs/dbraw/zinc/43/31/63/383433163.db2.gz GYUDSJCRWTZITF-DLBZAZTESA-N 2 0 292.471 2.618 20 0 CFADRP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCC1)C1CC1 ZINC000340475790 383434502 /nfs/dbraw/zinc/43/45/02/383434502.db2.gz AVQOBWKTEIMKNN-MRXNPFEDSA-N 2 0 290.455 2.727 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2Cc3ccccc3O2)c2ccccc21 ZINC000252782071 383434639 /nfs/dbraw/zinc/43/46/39/383434639.db2.gz NEHCYDHNHMOTLM-KBRIMQKVSA-N 2 0 280.371 2.725 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252851280 383437397 /nfs/dbraw/zinc/43/73/97/383437397.db2.gz IBPRAFDLVZPHID-BHYGNILZSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479134 383437442 /nfs/dbraw/zinc/43/74/42/383437442.db2.gz WHSDBFTUONQTFC-IXDOHACOSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253178602 383446919 /nfs/dbraw/zinc/44/69/19/383446919.db2.gz BZUGKTKPKYDQCB-ZIAGYGMSSA-N 2 0 280.387 2.511 20 0 CFADRP c1ccc(CC[C@@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991376 383446993 /nfs/dbraw/zinc/44/69/93/383446993.db2.gz BQFZXXPKIHYZIV-ADKAHSJRSA-N 2 0 270.420 2.836 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000253177389 383447134 /nfs/dbraw/zinc/44/71/34/383447134.db2.gz AWMBXMMZRCWZKS-GXTWGEPZSA-N 2 0 258.365 2.850 20 0 CFADRP CN(Cc1ccc(C(F)(F)F)cc1)CC12CC(C1)C[NH2+]2 ZINC000634991753 383447135 /nfs/dbraw/zinc/44/71/35/383447135.db2.gz QJEVPJAOWKNXRQ-UHFFFAOYSA-N 2 0 284.325 2.889 20 0 CFADRP C[NH2+]C[C@H]1CCCN1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991627 383447202 /nfs/dbraw/zinc/44/72/02/383447202.db2.gz LZZZYLONWAHMOF-QGZVFWFLSA-N 2 0 296.418 2.515 20 0 CFADRP C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000253191801 383447653 /nfs/dbraw/zinc/44/76/53/383447653.db2.gz MPQUZRRTHGCZHE-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000634995957 383450975 /nfs/dbraw/zinc/45/09/75/383450975.db2.gz VAVBUYBRDRPZAK-HOTGVXAUSA-N 2 0 296.418 2.690 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000634995958 383451009 /nfs/dbraw/zinc/45/10/09/383451009.db2.gz VAVBUYBRDRPZAK-HZPDHXFCSA-N 2 0 296.418 2.690 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000253354894 383452242 /nfs/dbraw/zinc/45/22/42/383452242.db2.gz QVNANLDFSNTGDZ-CSNJMZFVSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000634998634 383453324 /nfs/dbraw/zinc/45/33/24/383453324.db2.gz IUFZRTQKEFPIRO-RDTXWAMCSA-N 2 0 281.403 2.775 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC000634998328 383453582 /nfs/dbraw/zinc/45/35/82/383453582.db2.gz DGUXBIWIJDTRHE-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000484167974 383454287 /nfs/dbraw/zinc/45/42/87/383454287.db2.gz UXIDZJVCFPPLTA-WBVHZDCISA-N 2 0 260.425 2.776 20 0 CFADRP CC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000484313053 383455994 /nfs/dbraw/zinc/45/59/94/383455994.db2.gz SWYGLFQUPRONRB-XHSDSOJGSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC3(CCSCC3)CC2)CC[NH2+]1 ZINC000634999641 383457532 /nfs/dbraw/zinc/45/75/32/383457532.db2.gz XFRFMZGWTFPDBZ-LSDHHAIUSA-N 2 0 282.497 2.984 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635003789 383459852 /nfs/dbraw/zinc/45/98/52/383459852.db2.gz BINUNEHTXVECPT-BZSNNMDCSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cccc(CO)c1 ZINC000635003850 383460021 /nfs/dbraw/zinc/46/00/21/383460021.db2.gz BMGYFFZGBOMDAZ-HNAYVOBHSA-N 2 0 298.430 2.790 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635006208 383463168 /nfs/dbraw/zinc/46/31/68/383463168.db2.gz XUHHUTQKBXIPKW-WPRPVWTQSA-N 2 0 278.343 2.984 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3(F)CC3)CC2)C[C@H](C)O1 ZINC000527219373 383463680 /nfs/dbraw/zinc/46/36/80/383463680.db2.gz SDNJBNHQRIDKSK-GJZGRUSLSA-N 2 0 298.446 2.700 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CCSCC1 ZINC000635007583 383464576 /nfs/dbraw/zinc/46/45/76/383464576.db2.gz DTJVECPXIRXRGW-ZDUSSCGKSA-N 2 0 290.476 2.954 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CC2(F)CC2)C1 ZINC000527223009 383464941 /nfs/dbraw/zinc/46/49/41/383464941.db2.gz FUBYMSBHCNUIKJ-KBPBESRZSA-N 2 0 256.409 2.836 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cncs1 ZINC000635009834 383467363 /nfs/dbraw/zinc/46/73/63/383467363.db2.gz WKWDXRCQIHZQAQ-TZMCWYRMSA-N 2 0 275.421 2.754 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000635011750 383467599 /nfs/dbraw/zinc/46/75/99/383467599.db2.gz GTMNVCMACLGRSE-YLFCFFPRSA-N 2 0 292.467 2.704 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000635011662 383468214 /nfs/dbraw/zinc/46/82/14/383468214.db2.gz OOPINXMLUWPKMU-HUUCEWRRSA-N 2 0 273.424 2.827 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000635014254 383470262 /nfs/dbraw/zinc/47/02/62/383470262.db2.gz ZUULPZUZDBXJIX-FZMZJTMJSA-N 2 0 256.340 2.943 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000635013733 383470445 /nfs/dbraw/zinc/47/04/45/383470445.db2.gz VMOUTRHOQSGNAG-VHDGCEQUSA-N 2 0 269.392 2.646 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635017483 383472979 /nfs/dbraw/zinc/47/29/79/383472979.db2.gz DJXHDUUWQTZUFI-HOTGVXAUSA-N 2 0 269.392 2.984 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)C1CC[NH+](C)CC1 ZINC000635024331 383475184 /nfs/dbraw/zinc/47/51/84/383475184.db2.gz WLWUKCITQFNHNB-HOCLYGCPSA-N 2 0 287.451 2.906 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2CCCC[NH+]2C(C)C)C[C@H]1C ZINC000450641445 383479782 /nfs/dbraw/zinc/47/97/82/383479782.db2.gz NSMAVDMCJKZZRH-IKGGRYGDSA-N 2 0 281.488 2.664 20 0 CFADRP CC1(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525997468 383419475 /nfs/dbraw/zinc/41/94/75/383419475.db2.gz XLTHRUULSOJNAY-MRXNPFEDSA-N 2 0 258.409 2.898 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450461731 383419985 /nfs/dbraw/zinc/41/99/85/383419985.db2.gz XDPAVHIWVXBFFZ-MSOLQXFVSA-N 2 0 295.515 2.913 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000340442379 383421044 /nfs/dbraw/zinc/42/10/44/383421044.db2.gz ZMHCUKFFJMOFPY-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCc2cc(CC)no2)CC1 ZINC000450466506 383422013 /nfs/dbraw/zinc/42/20/13/383422013.db2.gz IYYKBDSXLQZHKG-UHFFFAOYSA-N 2 0 293.455 2.976 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488462202 383546754 /nfs/dbraw/zinc/54/67/54/383546754.db2.gz LNJNPLKZXFBRDT-MCIONIFRSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000261708301 383546814 /nfs/dbraw/zinc/54/68/14/383546814.db2.gz JEGJYQHTRZKHRD-CYBMUJFWSA-N 2 0 288.313 2.756 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261724193 383547953 /nfs/dbraw/zinc/54/79/53/383547953.db2.gz GKDWGFVBPDEMJG-MRXNPFEDSA-N 2 0 262.397 2.517 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@H]1C ZINC000488073106 383493443 /nfs/dbraw/zinc/49/34/43/383493443.db2.gz LJDZZAQIMSFIHZ-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)s1 ZINC000261550674 383510579 /nfs/dbraw/zinc/51/05/79/383510579.db2.gz LLIVJDYNBQFUKO-CQSZACIVSA-N 2 0 250.411 2.550 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000261566207 383513201 /nfs/dbraw/zinc/51/32/01/383513201.db2.gz YUMZVHGCJYYPKQ-ZDUSSCGKSA-N 2 0 297.240 2.927 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc2cccnc21 ZINC000261574461 383516312 /nfs/dbraw/zinc/51/63/12/383516312.db2.gz BDLLLLNVJNDIMS-INIZCTEOSA-N 2 0 257.381 2.698 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000261572338 383516352 /nfs/dbraw/zinc/51/63/52/383516352.db2.gz TULIQSIADOECEL-INMHGKMJSA-N 2 0 258.409 2.864 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528400652 383520204 /nfs/dbraw/zinc/52/02/04/383520204.db2.gz PQEOJUMZAAJSJY-XMRSSTEGSA-N 2 0 274.836 2.562 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000261587539 383521309 /nfs/dbraw/zinc/52/13/09/383521309.db2.gz JOMZBFXGCQPKOY-GWCFXTLKSA-N 2 0 272.314 2.793 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000528403203 383522195 /nfs/dbraw/zinc/52/21/95/383522195.db2.gz CEXGMIIPAZOXEI-CABCVRRESA-N 2 0 250.430 2.839 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]21 ZINC000261597332 383524836 /nfs/dbraw/zinc/52/48/36/383524836.db2.gz NVKYDRRGXORIBB-BRWVUGGUSA-N 2 0 281.403 2.794 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000569686814 383526665 /nfs/dbraw/zinc/52/66/65/383526665.db2.gz KUFRIAJSJQHFNY-QGZVFWFLSA-N 2 0 282.472 2.639 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)C)C2)C1 ZINC000488409552 383530582 /nfs/dbraw/zinc/53/05/82/383530582.db2.gz HEAUVUBPRFZSSC-KFWWJZLASA-N 2 0 270.486 2.838 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC2(OC)CCC2)C1 ZINC000429446433 383531732 /nfs/dbraw/zinc/53/17/32/383531732.db2.gz JJIAJNNCLNDKHB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000261644344 383535636 /nfs/dbraw/zinc/53/56/36/383535636.db2.gz AODACJLUHNBHKO-UKRRQHHQSA-N 2 0 264.438 2.589 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)[C@@H](C)C1 ZINC000429468205 383535952 /nfs/dbraw/zinc/53/59/52/383535952.db2.gz KIXWVHKHTBHPST-GXTWGEPZSA-N 2 0 290.398 2.511 20 0 CFADRP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000261649469 383536655 /nfs/dbraw/zinc/53/66/55/383536655.db2.gz XXMIBCMEMDODHU-KRWDZBQOSA-N 2 0 256.393 2.749 20 0 CFADRP CSc1ccccc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000261648383 383537457 /nfs/dbraw/zinc/53/74/57/383537457.db2.gz AWICJFPAYJDTRC-UHFFFAOYSA-N 2 0 264.438 2.840 20 0 CFADRP CS[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](SC)C2)C1 ZINC000569796487 383537870 /nfs/dbraw/zinc/53/78/70/383537870.db2.gz SXSYSDLVEJYJKU-ZIAGYGMSSA-N 2 0 288.526 2.641 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000488440145 383538719 /nfs/dbraw/zinc/53/87/19/383538719.db2.gz PRWULAQMTWXSMC-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261685367 383542177 /nfs/dbraw/zinc/54/21/77/383542177.db2.gz KFCVZJIOBJMGFS-KRWDZBQOSA-N 2 0 276.424 2.892 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000261691707 383542852 /nfs/dbraw/zinc/54/28/52/383542852.db2.gz HNYNJRLLYRSZDS-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000488452146 383543693 /nfs/dbraw/zinc/54/36/93/383543693.db2.gz AREXPNJTDWJZHP-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H](NC/C=C(\C)Cl)[C@H](C)C1 ZINC000528460195 383543798 /nfs/dbraw/zinc/54/37/98/383543798.db2.gz WOERUAMJTBYUFU-AEIXLSSFSA-N 2 0 288.863 2.856 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cc2c1 ZINC000261871360 383572843 /nfs/dbraw/zinc/57/28/43/383572843.db2.gz TTYZBBVQCUEUHL-MRXNPFEDSA-N 2 0 274.364 2.612 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC[NH2+]C1 ZINC000261894772 383576871 /nfs/dbraw/zinc/57/68/71/383576871.db2.gz UTAWMAPXAHTNLM-SJORKVTESA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261919743 383580650 /nfs/dbraw/zinc/58/06/50/383580650.db2.gz KGHYTTREZYYPHT-YRGRVCCFSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC[NH2+]C1 ZINC000261958383 383586776 /nfs/dbraw/zinc/58/67/76/383586776.db2.gz GWRHRBXAEQJLPC-MSOLQXFVSA-N 2 0 288.435 2.525 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000261975173 383589046 /nfs/dbraw/zinc/58/90/46/383589046.db2.gz QSEHUDZTFCAFMQ-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000261985096 383591274 /nfs/dbraw/zinc/59/12/74/383591274.db2.gz RVDCBGNHXHWCTC-JWZBEHFJSA-N 2 0 276.399 2.988 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261991334 383591537 /nfs/dbraw/zinc/59/15/37/383591537.db2.gz SKHIDBIFIGMUOB-FZMZJTMJSA-N 2 0 282.815 2.908 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000430561689 383594237 /nfs/dbraw/zinc/59/42/37/383594237.db2.gz NSSFIPGYYZCOIV-RBSFLKMASA-N 2 0 256.434 2.545 20 0 CFADRP CCC[N@H+](Cc1ccc(C)c(OC)c1)C1CC[NH2+]CC1 ZINC000262013656 383594599 /nfs/dbraw/zinc/59/45/99/383594599.db2.gz VIBYDGUEJMKEDN-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262034333 383596811 /nfs/dbraw/zinc/59/68/11/383596811.db2.gz OISCUUJAZHOCMM-DOTOQJQBSA-N 2 0 258.409 2.784 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccc(F)c1 ZINC000422777961 532995860 /nfs/dbraw/zinc/99/58/60/532995860.db2.gz DDGNBPWSFZRNAI-KDOFPFPSSA-N 2 0 286.394 2.916 20 0 CFADRP CCCn1c2ccccc2nc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262042139 383598623 /nfs/dbraw/zinc/59/86/23/383598623.db2.gz PGSHKCKAMZUXNK-SFHVURJKSA-N 2 0 298.434 2.632 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451366197 383598959 /nfs/dbraw/zinc/59/89/59/383598959.db2.gz HXMSYMXNDIUHAW-HMDCTGQHSA-N 2 0 260.425 2.615 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000262050228 383599249 /nfs/dbraw/zinc/59/92/49/383599249.db2.gz ZLGXBYWAQNODKN-ZDUSSCGKSA-N 2 0 264.388 2.861 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2Cl)CC1 ZINC000262074384 383602178 /nfs/dbraw/zinc/60/21/78/383602178.db2.gz CYCJPSONBYBTIZ-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430876546 383608389 /nfs/dbraw/zinc/60/83/89/383608389.db2.gz FZHUVMDWRIYLPH-ZDUSSCGKSA-N 2 0 282.391 2.974 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2n1 ZINC000261750320 383552814 /nfs/dbraw/zinc/55/28/14/383552814.db2.gz TUOFWDVTLLDAMP-IRXDYDNUSA-N 2 0 281.403 2.585 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(-c2cnn(C)c2)c1 ZINC000261762659 383555798 /nfs/dbraw/zinc/55/57/98/383555798.db2.gz DBTLTZALRUCBSE-LSDHHAIUSA-N 2 0 298.434 2.565 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(Cc3cc4ccc(F)cc4[nH]3)[C@H]2C1 ZINC000488534107 383556336 /nfs/dbraw/zinc/55/63/36/383556336.db2.gz AFYDYOBZSZJVNK-PXAZEXFGSA-N 2 0 287.382 2.833 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000261783112 383560024 /nfs/dbraw/zinc/56/00/24/383560024.db2.gz PSNPJUONUVVFRJ-MRXNPFEDSA-N 2 0 271.364 2.512 20 0 CFADRP C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261782179 383560252 /nfs/dbraw/zinc/56/02/52/383560252.db2.gz FMWAQHZBXCYMGH-QGZVFWFLSA-N 2 0 276.399 2.789 20 0 CFADRP CCCc1csc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000261807646 383564829 /nfs/dbraw/zinc/56/48/29/383564829.db2.gz HMWVLGKUEPAIDO-NEPJUHHUSA-N 2 0 267.442 2.655 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000261817380 383565928 /nfs/dbraw/zinc/56/59/28/383565928.db2.gz IDHZCKDEXHSIRG-HNNXBMFYSA-N 2 0 264.438 2.591 20 0 CFADRP Cc1ccc([C@@]2(C)CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261821126 383566219 /nfs/dbraw/zinc/56/62/19/383566219.db2.gz IHSHLVRISNAXPZ-AEFFLSMTSA-N 2 0 272.436 2.958 20 0 CFADRP CC(C)([NH3+])CN1CCC(Oc2ccccc2Cl)CC1 ZINC000261827418 383567417 /nfs/dbraw/zinc/56/74/17/383567417.db2.gz IVMVSIFDEATYOO-UHFFFAOYSA-N 2 0 282.815 2.921 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)C1 ZINC000489932899 383644314 /nfs/dbraw/zinc/64/43/14/383644314.db2.gz IPTKKLZLNIAQIV-BHYGNILZSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430948088 383614906 /nfs/dbraw/zinc/61/49/06/383614906.db2.gz DMCYPPQZRNITRE-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000430967148 383617316 /nfs/dbraw/zinc/61/73/16/383617316.db2.gz RBNXXWWVJCZGIB-HNNXBMFYSA-N 2 0 284.403 2.889 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000262562992 383627968 /nfs/dbraw/zinc/62/79/68/383627968.db2.gz VWTLLGIEVBIQMK-ZBFHGGJFSA-N 2 0 296.414 2.890 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC000262562989 383627993 /nfs/dbraw/zinc/62/79/93/383627993.db2.gz VWTLLGIEVBIQMK-GOEBONIOSA-N 2 0 296.414 2.890 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN(Cc1cccc(Cl)c1)C(C)C ZINC000570763285 383631274 /nfs/dbraw/zinc/63/12/74/383631274.db2.gz DGZISFZFTBCWJV-INIZCTEOSA-N 2 0 298.858 2.863 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000571226075 383675923 /nfs/dbraw/zinc/67/59/23/383675923.db2.gz IESWQCOUXFXNCM-JJXSEGSLSA-N 2 0 268.445 2.830 20 0 CFADRP CSc1ccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423145738 533007618 /nfs/dbraw/zinc/00/76/18/533007618.db2.gz MFBLJGCFORAPGJ-BBRMVZONSA-N 2 0 295.496 2.728 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)C1 ZINC000572257164 383767716 /nfs/dbraw/zinc/76/77/16/383767716.db2.gz FWKYVMUWBRYWJD-WDEREUQCSA-N 2 0 272.314 2.506 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)C1CCC1 ZINC000453107233 383767947 /nfs/dbraw/zinc/76/79/47/383767947.db2.gz KVWVVXPXGIHRQI-FUHWJXTLSA-N 2 0 295.515 2.818 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453106828 383768188 /nfs/dbraw/zinc/76/81/88/383768188.db2.gz FOLMNKFAEHJSHK-RDTXWAMCSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2nccn2CC)CC1 ZINC000453109282 383769696 /nfs/dbraw/zinc/76/96/96/383769696.db2.gz PFBGCWWAHGOYBI-AWEZNQCLSA-N 2 0 278.444 2.676 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)c1cn[nH]c1 ZINC000453126841 383776502 /nfs/dbraw/zinc/77/65/02/383776502.db2.gz LEFZSLZNLJBWNF-OFQRWUPVSA-N 2 0 278.444 2.961 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000453134487 383780318 /nfs/dbraw/zinc/78/03/18/383780318.db2.gz IRZCAAGMDZPRGP-IIDMSEBBSA-N 2 0 287.451 2.865 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000571037770 383661113 /nfs/dbraw/zinc/66/11/13/383661113.db2.gz SYDAARBYPRCAQK-MRXNPFEDSA-N 2 0 290.407 2.514 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000422871148 533008716 /nfs/dbraw/zinc/00/87/16/533008716.db2.gz CNVBSBCIXOWWPU-GFCCVEGCSA-N 2 0 287.407 2.519 20 0 CFADRP CC(C)[NH2+]C1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000280988406 195059276 /nfs/dbraw/zinc/05/92/76/195059276.db2.gz LPSDTAWOYRCQHA-UHFFFAOYSA-N 2 0 289.467 2.581 20 0 CFADRP Cc1nnc(CN(C)CCCC[NH+]2CCCCC2)s1 ZINC000640532645 383818125 /nfs/dbraw/zinc/81/81/25/383818125.db2.gz HHCLAGZDNWMOTN-UHFFFAOYSA-N 2 0 282.457 2.544 20 0 CFADRP CC(C)(C)C1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000436468737 383819606 /nfs/dbraw/zinc/81/96/06/383819606.db2.gz GCGRMKXZXZQWGV-HSBZDZAISA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cncc(CC[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640534802 383819863 /nfs/dbraw/zinc/81/98/63/383819863.db2.gz VKOFJVKKMWVIQZ-UHFFFAOYSA-N 2 0 290.455 2.525 20 0 CFADRP CO[C@@H](C[N@H+](C)CCCC[NH+]1CCCCC1)C1CCC1 ZINC000640534674 383819907 /nfs/dbraw/zinc/81/99/07/383819907.db2.gz RNZQNFLFAPHEQQ-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP Cn1cncc1CCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533124 383820112 /nfs/dbraw/zinc/82/01/12/383820112.db2.gz CXGWPBDCHURGOW-UHFFFAOYSA-N 2 0 292.471 2.551 20 0 CFADRP C[NH2+]CCC[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000435880964 383781182 /nfs/dbraw/zinc/78/11/82/383781182.db2.gz RUJJXUDUVPVBHX-GPANFISMSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414491222 533011901 /nfs/dbraw/zinc/01/19/01/533011901.db2.gz SVIOUXVKJXTSSY-CYBMUJFWSA-N 2 0 288.395 2.892 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1C ZINC000436255232 383794077 /nfs/dbraw/zinc/79/40/77/383794077.db2.gz WTYSMOZVIIYVRM-RISCZKNCSA-N 2 0 290.436 2.711 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000572900403 383837364 /nfs/dbraw/zinc/83/73/64/383837364.db2.gz CWQFGHYPRFQQGD-INIZCTEOSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@H]2CCC[C@H]21 ZINC000453292220 383839640 /nfs/dbraw/zinc/83/96/40/383839640.db2.gz OSVXPTLKRPCBMZ-OWCLPIDISA-N 2 0 287.451 2.822 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000531255222 383841044 /nfs/dbraw/zinc/84/10/44/383841044.db2.gz WTYKZOGVNRUICK-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000453411652 383851573 /nfs/dbraw/zinc/85/15/73/383851573.db2.gz VVCDWMYQEVXIHS-OAGGEKHMSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CC1 ZINC000453411650 383852462 /nfs/dbraw/zinc/85/24/62/383852462.db2.gz VVCDWMYQEVXIHS-BZUAXINKSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCC[NH+]1CCCCC1)CCOCC2 ZINC000646096263 383867505 /nfs/dbraw/zinc/86/75/05/383867505.db2.gz LLRJZJKLKZADLD-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1cccc(CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000573086153 383867737 /nfs/dbraw/zinc/86/77/37/383867737.db2.gz BKDZSUAWOFSYKV-UHFFFAOYSA-N 2 0 289.467 2.985 20 0 CFADRP CCc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453596928 383867920 /nfs/dbraw/zinc/86/79/20/383867920.db2.gz MFKGZALUBGKIQT-UHFFFAOYSA-N 2 0 261.413 2.608 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CC[C@H]1CCCC[NH+]1C)CCOCC2 ZINC000646101033 383872932 /nfs/dbraw/zinc/87/29/32/383872932.db2.gz USROUEQCMCPBDE-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP COCC[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2)CC1 ZINC000453608237 383875101 /nfs/dbraw/zinc/87/51/01/383875101.db2.gz DPIQHQSRXYVXSD-UHFFFAOYSA-N 2 0 285.391 2.758 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000422998537 533018618 /nfs/dbraw/zinc/01/86/18/533018618.db2.gz QPUYPBAWNSSMTH-KRWDZBQOSA-N 2 0 299.418 2.592 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000422772935 533018965 /nfs/dbraw/zinc/01/89/65/533018965.db2.gz ZHWPMEFVQMBEBP-ZDUSSCGKSA-N 2 0 278.421 2.745 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000422919249 533019264 /nfs/dbraw/zinc/01/92/64/533019264.db2.gz JJQKGFJGVBLMSD-QWRGUYRKSA-N 2 0 288.794 2.884 20 0 CFADRP CC(C)Cc1ncc(C[NH+]2CCC(CC[NH3+])CC2)s1 ZINC000573449073 383933238 /nfs/dbraw/zinc/93/32/38/383933238.db2.gz LJYLKFLJBIZUPX-UHFFFAOYSA-N 2 0 281.469 2.902 20 0 CFADRP C=Cn1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000573193850 383887350 /nfs/dbraw/zinc/88/73/50/383887350.db2.gz RIHASEAMSNQMHT-UHFFFAOYSA-N 2 0 276.428 2.536 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000531614372 383897971 /nfs/dbraw/zinc/89/79/71/383897971.db2.gz QUARFEIDWXTBER-GOSISDBHSA-N 3 0 295.515 2.913 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)C1CCOCC1 ZINC000532195203 383989722 /nfs/dbraw/zinc/98/97/22/383989722.db2.gz MAFWHUUGHBYYNY-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000532201276 383992089 /nfs/dbraw/zinc/99/20/89/383992089.db2.gz YAXPIJMZYGFUQZ-CRAIPNDOSA-N 2 0 290.451 2.946 20 0 CFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000532224846 383996576 /nfs/dbraw/zinc/99/65/76/383996576.db2.gz IRCYHMMWCVTVLQ-LSDHHAIUSA-N 2 0 299.503 2.589 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000532233257 383997881 /nfs/dbraw/zinc/99/78/81/383997881.db2.gz CGWXUYVHGUYIIO-ZNMIVQPWSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000573831087 383998227 /nfs/dbraw/zinc/99/82/27/383998227.db2.gz MFIHOAZTVQWJKB-IWCVFHTOSA-N 2 0 288.435 2.712 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531937493 383943165 /nfs/dbraw/zinc/94/31/65/383943165.db2.gz FUHUKCDULPFZPI-INMHGKMJSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531977525 383951785 /nfs/dbraw/zinc/95/17/85/383951785.db2.gz XDNDOGNJTFGWDO-NDBYEHHHSA-N 2 0 278.362 2.895 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531977526 383952005 /nfs/dbraw/zinc/95/20/05/383952005.db2.gz XDNDOGNJTFGWDO-VOAKCMCISA-N 2 0 278.362 2.895 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)Nc1ccncc1Cl ZINC000574093609 384042850 /nfs/dbraw/zinc/04/28/50/384042850.db2.gz LUYAFVCWXYNBOE-LLVKDONJSA-N 2 0 255.793 2.689 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000646626779 384047387 /nfs/dbraw/zinc/04/73/87/384047387.db2.gz FKAJRZSLVMGGRD-INIZCTEOSA-N 2 0 289.423 2.609 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532504260 384039303 /nfs/dbraw/zinc/03/93/03/384039303.db2.gz XUUDRDZHJLVGPF-BFYDXBDKSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H](F)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000440487412 384087795 /nfs/dbraw/zinc/08/77/95/384087795.db2.gz AQAOLSXSDSFWAO-INIZCTEOSA-N 2 0 286.435 2.559 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000574397704 384089790 /nfs/dbraw/zinc/08/97/90/384089790.db2.gz HWFGZYICWRGMOS-YYIAUSFCSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC000070359136 412974886 /nfs/dbraw/zinc/97/48/86/412974886.db2.gz AYAJGCHTZFGFNC-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000574266672 384069074 /nfs/dbraw/zinc/06/90/74/384069074.db2.gz AHGWYWCECWVQSP-PBHICJAKSA-N 2 0 275.440 2.938 20 0 CFADRP CC[C@@H](F)C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000440515103 384093103 /nfs/dbraw/zinc/09/31/03/384093103.db2.gz YERMJZQZBJSPFZ-UONOGXRCSA-N 2 0 299.459 2.953 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000574680823 384132912 /nfs/dbraw/zinc/13/29/12/384132912.db2.gz IHQLXCQXXPYLKE-SWLSCSKDSA-N 2 0 297.402 2.943 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000574927537 384166839 /nfs/dbraw/zinc/16/68/39/384166839.db2.gz MQHOMAPGJBQMPN-MPTYRVRUSA-N 2 0 274.408 2.658 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000637856885 384229121 /nfs/dbraw/zinc/22/91/21/384229121.db2.gz IXZWRKAYGUDLQO-LBPRGKRZSA-N 2 0 277.412 2.623 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2cccc(F)c2N)CC1 ZINC000637889401 384252557 /nfs/dbraw/zinc/25/25/57/384252557.db2.gz OQGTUQNJFIGKMF-UHFFFAOYSA-N 2 0 279.403 2.713 20 0 CFADRP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccncc1N)N(C)C ZINC000641749371 384315843 /nfs/dbraw/zinc/31/58/43/384315843.db2.gz HNDSXKFEIOATAV-RDTXWAMCSA-N 2 0 298.434 2.753 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2cccc3ccccc32)C[C@@H]1[NH3+] ZINC000641805363 384373417 /nfs/dbraw/zinc/37/34/17/384373417.db2.gz NICQXJPCWBAUGW-DLBZAZTESA-N 2 0 284.403 2.934 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)ccc1SC ZINC000641804295 384373825 /nfs/dbraw/zinc/37/38/25/384373825.db2.gz XYAVIPVDPQFZED-UONOGXRCSA-N 2 0 280.437 2.633 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000641798003 384363295 /nfs/dbraw/zinc/36/32/95/384363295.db2.gz GLWWBBANJQSUBB-HNNXBMFYSA-N 2 0 291.439 2.757 20 0 CFADRP CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435368527 285104438 /nfs/dbraw/zinc/10/44/38/285104438.db2.gz AZRLCGYKLPYKIM-QGZVFWFLSA-N 2 0 298.434 2.836 20 0 CFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1F ZINC000277648298 384364588 /nfs/dbraw/zinc/36/45/88/384364588.db2.gz DLSJHVCIQSWLAK-OAHLLOKOSA-N 2 0 294.414 2.725 20 0 CFADRP Cc1ccc(C[NH2+]Cc2cnc3ccc(C)cn23)nc1 ZINC000641765978 384332314 /nfs/dbraw/zinc/33/23/14/384332314.db2.gz DKDIXHYJWCAXJT-UHFFFAOYSA-N 2 0 266.348 2.636 20 0 CFADRP Cc1scc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000638077950 384395878 /nfs/dbraw/zinc/39/58/78/384395878.db2.gz ZCSPOJUWJUIOIM-ZDUSSCGKSA-N 2 0 252.427 2.748 20 0 CFADRP Cc1cc(C)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277817365 384414050 /nfs/dbraw/zinc/41/40/50/384414050.db2.gz KXSNTVXXPLJYFV-KRWDZBQOSA-N 2 0 290.451 2.894 20 0 CFADRP CCC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000638105295 384418165 /nfs/dbraw/zinc/41/81/65/384418165.db2.gz RBOHFYZHUZVSLQ-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP CO[C@@](C)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000638104571 384419075 /nfs/dbraw/zinc/41/90/75/384419075.db2.gz JQLQEQAYMIFCRP-SJORKVTESA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@](C)(CC)OC)C[C@H]1C ZINC000638108872 384420493 /nfs/dbraw/zinc/42/04/93/384420493.db2.gz BNLXGMQLDKFKHU-ILXRZTDVSA-N 2 0 256.434 2.606 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641807962 384375327 /nfs/dbraw/zinc/37/53/27/384375327.db2.gz WEFUOLGFIYDEFR-QWHCGFSZSA-N 2 0 250.411 2.624 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000277686201 384375402 /nfs/dbraw/zinc/37/54/02/384375402.db2.gz QAFRBYQUXAIYGC-SWLSCSKDSA-N 2 0 280.362 2.894 20 0 CFADRP CC[C@@](C)(C[NH+]1CCC(CCC[NH+](C)C)CC1)OC ZINC000638119921 384430642 /nfs/dbraw/zinc/43/06/42/384430642.db2.gz BWKIVQMFLHIUQF-INIZCTEOSA-N 2 0 270.461 2.855 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000343951380 220280110 /nfs/dbraw/zinc/28/01/10/220280110.db2.gz MPYCYOWXOCZMKV-UXLLHSPISA-N 2 0 276.424 2.522 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2CCSCC2)C1 ZINC000638127795 384440041 /nfs/dbraw/zinc/44/00/41/384440041.db2.gz MEEREZDEUKGKEZ-OAHLLOKOSA-N 2 0 270.486 2.793 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCSCC2)C1 ZINC000638133444 384442458 /nfs/dbraw/zinc/44/24/58/384442458.db2.gz KEFOBPLTNYLVFJ-MRXNPFEDSA-N 2 0 282.497 2.793 20 0 CFADRP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000289407022 197332185 /nfs/dbraw/zinc/33/21/85/197332185.db2.gz HHYMQLIDHBTYNU-UHFFFAOYSA-N 2 0 295.496 2.514 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C/c2ccccc2)CCCO1 ZINC000278071073 384470332 /nfs/dbraw/zinc/47/03/32/384470332.db2.gz ZIXQJJGZOONQSI-JSNVTFDYSA-N 2 0 288.435 2.790 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000638176723 384471365 /nfs/dbraw/zinc/47/13/65/384471365.db2.gz GTUUONRFCCGXIW-HUUCEWRRSA-N 2 0 250.430 2.839 20 0 CFADRP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c2cc(F)ccc2[nH+]1 ZINC000643030507 384479746 /nfs/dbraw/zinc/47/97/46/384479746.db2.gz WLUCVVZBZVKJMI-CHWSQXEVSA-N 2 0 273.355 2.786 20 0 CFADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000643032775 384480944 /nfs/dbraw/zinc/48/09/44/384480944.db2.gz HZOYQLBLABVGKH-BLLLJJGKSA-N 2 0 285.366 2.871 20 0 CFADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000643032779 384481222 /nfs/dbraw/zinc/48/12/22/384481222.db2.gz HZOYQLBLABVGKH-WBMJQRKESA-N 2 0 285.366 2.871 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000643057136 384487761 /nfs/dbraw/zinc/48/77/61/384487761.db2.gz FGPOVMWKQVCQFI-WMLDXEAASA-N 2 0 274.408 2.919 20 0 CFADRP c1ccc2c(c1)COC21CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000643058171 384488485 /nfs/dbraw/zinc/48/84/85/384488485.db2.gz KCONJFMGNIFQDL-OAHLLOKOSA-N 2 0 286.419 2.508 20 0 CFADRP COCCC[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638288972 384533307 /nfs/dbraw/zinc/53/33/07/384533307.db2.gz HOCPOQXPMUDVIV-AEFFLSMTSA-N 2 0 288.435 2.981 20 0 CFADRP CCOC1CC(C[NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000638348412 384573280 /nfs/dbraw/zinc/57/32/80/384573280.db2.gz KGEIERHBHWAQCB-UHFFFAOYSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](C)C2CCCCC2)CC1 ZINC000638363974 384589349 /nfs/dbraw/zinc/58/93/49/384589349.db2.gz UJCIEIBOPPTVPX-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CS1 ZINC000638381778 384608999 /nfs/dbraw/zinc/60/89/99/384608999.db2.gz PHOBEAGVKMXGPT-ZFWWWQNUSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638366384 384592686 /nfs/dbraw/zinc/59/26/86/384592686.db2.gz NVQLELOYOAZFPO-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000638366584 384593211 /nfs/dbraw/zinc/59/32/11/384593211.db2.gz OZXGPWSOZRFYEV-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CCC2CCOCC2)C1 ZINC000638371647 384598467 /nfs/dbraw/zinc/59/84/67/384598467.db2.gz OJPJIBPSGLPMPZ-HOTGVXAUSA-N 2 0 282.472 2.761 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000278834960 384599513 /nfs/dbraw/zinc/59/95/13/384599513.db2.gz UHVWYPXNZCDPAT-QGZVFWFLSA-N 2 0 271.408 2.785 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000643346037 384599590 /nfs/dbraw/zinc/59/95/90/384599590.db2.gz UTBFOIHJFLORKB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000643498876 384662874 /nfs/dbraw/zinc/66/28/74/384662874.db2.gz QHQXIFNFTHBIHC-MRXNPFEDSA-N 2 0 262.397 2.662 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638447803 384665085 /nfs/dbraw/zinc/66/50/85/384665085.db2.gz JLLUDJOLAXSUAZ-ACHSLPGTSA-N 2 0 288.435 2.763 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000643500758 384665605 /nfs/dbraw/zinc/66/56/05/384665605.db2.gz ZTJCOWPZIWNSFO-QWHCGFSZSA-N 2 0 252.427 2.658 20 0 CFADRP C[NH+](C)CCCC[NH2+]CC(C)(C)Oc1ccccc1 ZINC000638450869 384668863 /nfs/dbraw/zinc/66/88/63/384668863.db2.gz JQLHIYGVBXULCH-UHFFFAOYSA-N 2 0 264.413 2.775 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000643503474 384673161 /nfs/dbraw/zinc/67/31/61/384673161.db2.gz CBIHQXLODGKUMA-WBAXXEDZSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C1CCC([NH3+])CC1 ZINC000643503575 384673783 /nfs/dbraw/zinc/67/37/83/384673783.db2.gz DDUCUFCQXFRPCL-IYXRBSQSSA-N 2 0 286.423 2.744 20 0 CFADRP C[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000638412238 384634240 /nfs/dbraw/zinc/63/42/40/384634240.db2.gz NMTUDPVUBIYTFH-OAHLLOKOSA-N 2 0 282.472 2.639 20 0 CFADRP c1c2c(cc3c1OCCC[C@@H]3NCC[NH2+]C1CC1)CCC2 ZINC000643507231 384674859 /nfs/dbraw/zinc/67/48/59/384674859.db2.gz WOVSGTCUCARARN-KRWDZBQOSA-N 2 0 286.419 2.731 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000643457272 384637024 /nfs/dbraw/zinc/63/70/24/384637024.db2.gz PUAUKWCTFKJDRW-RDJZCZTQSA-N 2 0 286.423 2.732 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457431 384637361 /nfs/dbraw/zinc/63/73/61/384637361.db2.gz AVFQUBLAEBDUMV-JZXOWHBKSA-N 2 0 289.467 2.614 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)OC ZINC000638427211 384645829 /nfs/dbraw/zinc/64/58/29/384645829.db2.gz UTNLMXJMWYPHSB-XJKSGUPXSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466734 384646645 /nfs/dbraw/zinc/64/66/45/384646645.db2.gz LMDNOGYHHIWBAA-ZIAGYGMSSA-N 2 0 256.434 2.689 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCC2)CC1)C1CCSCC1 ZINC000638427966 384647707 /nfs/dbraw/zinc/64/77/07/384647707.db2.gz YBRAFQYNOMDBQX-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643478071 384655063 /nfs/dbraw/zinc/65/50/63/384655063.db2.gz SATMMKWQZZECJU-HUUCEWRRSA-N 2 0 260.425 2.899 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000268757527 384657294 /nfs/dbraw/zinc/65/72/94/384657294.db2.gz KCECWHUTOQMMBA-VLIAUNLRSA-N 2 0 296.480 2.805 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268851917 384675956 /nfs/dbraw/zinc/67/59/56/384675956.db2.gz GFCHYEFQVRFBRA-SFHVURJKSA-N 2 0 290.451 2.948 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000268788434 384662016 /nfs/dbraw/zinc/66/20/16/384662016.db2.gz FUJDPAYVFAMQAV-ZIAGYGMSSA-N 2 0 296.480 2.973 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000268788430 384662418 /nfs/dbraw/zinc/66/24/18/384662418.db2.gz FUJDPAYVFAMQAV-KGLIPLIRSA-N 2 0 296.480 2.973 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000268876607 384682454 /nfs/dbraw/zinc/68/24/54/384682454.db2.gz HASNCMRLUCFQLG-GJZGRUSLSA-N 2 0 294.414 2.713 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CCc2c1cc(F)cc2F ZINC000643511226 384682780 /nfs/dbraw/zinc/68/27/80/384682780.db2.gz TVZDECOCMOHDEJ-XHDPSFHLSA-N 2 0 268.351 2.915 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CCCc2cccnc21)C1CCCCC1 ZINC000643511391 384683020 /nfs/dbraw/zinc/68/30/20/384683020.db2.gz AXQOEWWNJBJIBO-CVEARBPZSA-N 2 0 273.424 2.956 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000643514082 384684269 /nfs/dbraw/zinc/68/42/69/384684269.db2.gz VADMISWHIBYAQQ-MNOVXSKESA-N 2 0 258.369 2.589 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000643518512 384684906 /nfs/dbraw/zinc/68/49/06/384684906.db2.gz REVXWHFWKJBKJE-TZMCWYRMSA-N 2 0 252.427 2.658 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000643514095 384684953 /nfs/dbraw/zinc/68/49/53/384684953.db2.gz WJEGZMHESYOXKV-VBNZEHGJSA-N 2 0 262.397 2.754 20 0 CFADRP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000643512951 384685024 /nfs/dbraw/zinc/68/50/24/384685024.db2.gz OWSQETGRJMRLKA-HNNXBMFYSA-N 3 0 281.488 2.619 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCS2 ZINC000643522545 384688431 /nfs/dbraw/zinc/68/84/31/384688431.db2.gz OYWNKZRHVOKWLB-SWLSCSKDSA-N 2 0 292.448 2.964 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000643522591 384689297 /nfs/dbraw/zinc/68/92/97/384689297.db2.gz PTPKXSJOCVHJCB-GDBMZVCRSA-N 2 0 262.397 2.878 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000643522731 384689478 /nfs/dbraw/zinc/68/94/78/384689478.db2.gz ATVFFPCXYQYMBV-IRXDYDNUSA-N 2 0 258.409 2.666 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522410 384689803 /nfs/dbraw/zinc/68/98/03/384689803.db2.gz MTXVNQBXGAYNPK-XHDPSFHLSA-N 2 0 266.335 2.684 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000643523899 384691551 /nfs/dbraw/zinc/69/15/51/384691551.db2.gz MKXITHQGHSLRLO-BFHYXJOUSA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000643524181 384693839 /nfs/dbraw/zinc/69/38/39/384693839.db2.gz TYRCEBSGVFBGFV-HEHGZKQESA-N 2 0 290.407 2.768 20 0 CFADRP Cc1nc([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c(C)s1 ZINC000643525836 384694222 /nfs/dbraw/zinc/69/42/22/384694222.db2.gz UGPZUHPTDATVIR-VDDIYKPWSA-N 2 0 253.415 2.551 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](C)[NH3+] ZINC000643527628 384698532 /nfs/dbraw/zinc/69/85/32/384698532.db2.gz PMTYTZXDEUTCSV-OCCSQVGLSA-N 2 0 252.427 2.740 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268942171 384698545 /nfs/dbraw/zinc/69/85/45/384698545.db2.gz AMHGAKJSDONASJ-QGZVFWFLSA-N 2 0 290.451 2.746 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000643527453 384698914 /nfs/dbraw/zinc/69/89/14/384698914.db2.gz NCAYETPNDPZWAC-VHRBIJSZSA-N 2 0 252.789 2.913 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)CC[NH2+]2 ZINC000643547380 384727138 /nfs/dbraw/zinc/72/71/38/384727138.db2.gz DQNJZSNQGKXGIU-QBPKDAKJSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000643529004 384703626 /nfs/dbraw/zinc/70/36/26/384703626.db2.gz SMJLSESSKSOLLX-GDLCADMTSA-N 2 0 252.789 2.913 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000643528945 384703920 /nfs/dbraw/zinc/70/39/20/384703920.db2.gz RQJVJZSALMSPLH-BDAKNGLRSA-N 2 0 261.196 2.861 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000643529891 384704627 /nfs/dbraw/zinc/70/46/27/384704627.db2.gz UKTDNNGVWPYGFJ-NJZAAPMLSA-N 2 0 266.816 2.988 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534475 384705325 /nfs/dbraw/zinc/70/53/25/384705325.db2.gz VVEKIHWAHCJWNZ-VXGBXAGGSA-N 2 0 250.411 2.849 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c(C)s1 ZINC000643533242 384705416 /nfs/dbraw/zinc/70/54/16/384705416.db2.gz XIRKBPSFJOYZLN-ZJUUUORDSA-N 2 0 255.431 2.928 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533858 384705425 /nfs/dbraw/zinc/70/54/25/384705425.db2.gz GDSOTIUETXDIFM-IRXDYDNUSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000643534427 384705472 /nfs/dbraw/zinc/70/54/72/384705472.db2.gz UXUHVTJTLJUGCO-YGRLFVJLSA-N 2 0 266.335 2.758 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000643535700 384709389 /nfs/dbraw/zinc/70/93/89/384709389.db2.gz HTFLQOBBVRLHIX-CZUORRHYSA-N 2 0 274.408 2.796 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535152 384709904 /nfs/dbraw/zinc/70/99/04/384709904.db2.gz JPTOPOMNNVGMEE-RDJZCZTQSA-N 2 0 286.419 2.940 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536488 384710812 /nfs/dbraw/zinc/71/08/12/384710812.db2.gz UJHSEIHCXDCKBX-CABCVRRESA-N 2 0 278.346 2.684 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536452 384711599 /nfs/dbraw/zinc/71/15/99/384711599.db2.gz RCNCCNOYANWTSO-GOEBONIOSA-N 2 0 272.392 2.501 20 0 CFADRP c1cncc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CCC2)c1 ZINC000643536739 384712110 /nfs/dbraw/zinc/71/21/10/384712110.db2.gz VFDAGNLJJRCGDW-JKSUJKDBSA-N 2 0 271.408 2.655 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536978 384713231 /nfs/dbraw/zinc/71/32/31/384713231.db2.gz XSIPDKMBNQUNQK-GOEBONIOSA-N 2 0 272.392 2.632 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536901 384714411 /nfs/dbraw/zinc/71/44/11/384714411.db2.gz YGJDCVOTEYGSBC-VXGBXAGGSA-N 2 0 296.336 2.823 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536982 384714570 /nfs/dbraw/zinc/71/45/70/384714570.db2.gz XSYJPWVCEWKSBB-KBPBESRZSA-N 2 0 278.346 2.684 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643547944 384727952 /nfs/dbraw/zinc/72/79/52/384727952.db2.gz HVICXHCKZUTOGN-KONPQCLYSA-N 2 0 270.420 2.960 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(C)s1 ZINC000643541939 384722602 /nfs/dbraw/zinc/72/26/02/384722602.db2.gz VHLZUACSGQOKDB-MFKMUULPSA-N 2 0 267.442 2.943 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541960 384722791 /nfs/dbraw/zinc/72/27/91/384722791.db2.gz ZUKWTNRXWFZFGW-LSDHHAIUSA-N 2 0 259.397 2.581 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](OC)[C@H](C)CC)CC1 ZINC000638562773 384742950 /nfs/dbraw/zinc/74/29/50/384742950.db2.gz BTMFNKYWOZUJFQ-ZBFHGGJFSA-N 2 0 270.461 2.759 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000638566130 384746284 /nfs/dbraw/zinc/74/62/84/384746284.db2.gz BFBDOOVMGJGMTE-CVEARBPZSA-N 2 0 270.461 2.758 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000638568216 384748657 /nfs/dbraw/zinc/74/86/57/384748657.db2.gz XHEICRCUBYWZHC-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000638587083 384760829 /nfs/dbraw/zinc/76/08/29/384760829.db2.gz AKSYLUQLDCODDN-HZPDHXFCSA-N 2 0 272.436 2.723 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000638633488 384796423 /nfs/dbraw/zinc/79/64/23/384796423.db2.gz ANVIQCKFDRRGJT-BXUZGUMPSA-N 2 0 282.428 2.871 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]CCC2CCOCC2)ccc1F ZINC000638635409 384798050 /nfs/dbraw/zinc/79/80/50/384798050.db2.gz VTDNKTSQDAUMMK-UHFFFAOYSA-N 2 0 294.414 2.794 20 0 CFADRP CC[C@](C)(C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)OC ZINC000638634576 384798561 /nfs/dbraw/zinc/79/85/61/384798561.db2.gz NUHHDIFMIBGXNZ-MRXNPFEDSA-N 2 0 282.403 2.792 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000644166517 384879049 /nfs/dbraw/zinc/87/90/49/384879049.db2.gz VGRPDXYYFULGBU-BRWVUGGUSA-N 2 0 258.409 2.794 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CC2(COC)CCC2)CC1 ZINC000638692301 384838669 /nfs/dbraw/zinc/83/86/69/384838669.db2.gz GTRPKQYEXGJQPN-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP COc1ccc([C@@H](C)C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414843506 533097848 /nfs/dbraw/zinc/09/78/48/533097848.db2.gz PZUIHMYFTCTAFN-LSDHHAIUSA-N 2 0 276.424 2.778 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638788477 384919319 /nfs/dbraw/zinc/91/93/19/384919319.db2.gz KRZMBFJWTGXWGY-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787851 384919832 /nfs/dbraw/zinc/91/98/32/384919832.db2.gz LUBDVSCFMNILSE-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc([C@@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414767064 533096602 /nfs/dbraw/zinc/09/66/02/533096602.db2.gz JFNLCEVZGKPNLN-BHYGNILZSA-N 2 0 288.435 2.730 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000638837605 384970236 /nfs/dbraw/zinc/97/02/36/384970236.db2.gz VJGOGYRRGBJTNS-ZFWWWQNUSA-N 2 0 291.464 2.782 20 0 CFADRP Cc1ccncc1CNC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000280389368 385000931 /nfs/dbraw/zinc/00/09/31/385000931.db2.gz UVUMLAMQFPHMTD-MRXNPFEDSA-N 2 0 275.440 2.848 20 0 CFADRP CO[C@H](C[NH2+]CC1(C)CC[NH+](C)CC1)C1CCCC1 ZINC000638954606 385056077 /nfs/dbraw/zinc/05/60/77/385056077.db2.gz DDBPTHYHSPVVMR-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969377 385062051 /nfs/dbraw/zinc/06/20/51/385062051.db2.gz GONNDFPLONBIRD-YQQAZPJKSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423494326 533102922 /nfs/dbraw/zinc/10/29/22/533102922.db2.gz CYLUWFCRBVNDAA-AXFHLTTASA-N 2 0 254.399 2.535 20 0 CFADRP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC=C(C)CC3)c2cc1C ZINC000270388809 385082492 /nfs/dbraw/zinc/08/24/92/385082492.db2.gz XUGOSUJYLADXAF-MRXNPFEDSA-N 2 0 299.418 2.666 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000270487640 385120974 /nfs/dbraw/zinc/12/09/74/385120974.db2.gz OUECYFJTWVQXNM-GOEBONIOSA-N 2 0 262.372 2.742 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(CO)c1 ZINC000270526837 385133711 /nfs/dbraw/zinc/13/37/11/385133711.db2.gz SZROLRCAUYNRLG-IAOVAPTHSA-N 2 0 276.424 2.702 20 0 CFADRP Cc1[nH]c2ncnc(NCCC[N@@H+](C)C(C)C)c2c1C ZINC000645121363 385199585 /nfs/dbraw/zinc/19/95/85/385199585.db2.gz YPVFDTZYEHKJQC-UHFFFAOYSA-N 2 0 275.400 2.717 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000270592735 385158896 /nfs/dbraw/zinc/15/88/96/385158896.db2.gz CUNTUJSNKCRFFZ-LMSBXDPUSA-N 2 0 290.451 2.819 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000639081287 385161191 /nfs/dbraw/zinc/16/11/91/385161191.db2.gz GLJSKXTUFRAHRH-OAGGEKHMSA-N 2 0 262.441 2.983 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3nccnc3c2)CC1 ZINC000639081520 385162043 /nfs/dbraw/zinc/16/20/43/385162043.db2.gz IMQTZOFDLFSHJH-UHFFFAOYSA-N 2 0 296.418 2.690 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2cccs2)[C@H](C)C1 ZINC000270636662 385172923 /nfs/dbraw/zinc/17/29/23/385172923.db2.gz NLWKCXATKRRYOF-APIJFGDWSA-N 2 0 296.480 2.880 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000639090990 385174312 /nfs/dbraw/zinc/17/43/12/385174312.db2.gz PUYSNIAELLEWDZ-CABCVRRESA-N 2 0 282.472 2.780 20 0 CFADRP Cc1[nH]c2ncnc(NCC[N@@H+](C)C3CCCC3)c2c1C ZINC000645157833 385219325 /nfs/dbraw/zinc/21/93/25/385219325.db2.gz CMOVUVICLCCAIR-UHFFFAOYSA-N 2 0 287.411 2.861 20 0 CFADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CC1(F)F ZINC000639125654 385223915 /nfs/dbraw/zinc/22/39/15/385223915.db2.gz YVTWSYUMKJQITR-IKWCTNDRSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H]1C ZINC000639129364 385229012 /nfs/dbraw/zinc/22/90/12/385229012.db2.gz SIYWJGGKJYJUPG-PMPSAXMXSA-N 2 0 296.499 2.884 20 0 CFADRP c1ccc2c(c1)n[nH]c2C[NH2+]CCCCC[NH+]1CCCC1 ZINC000645198551 385238150 /nfs/dbraw/zinc/23/81/50/385238150.db2.gz KNUSJFAMEQSBIN-UHFFFAOYSA-N 2 0 286.423 2.919 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c[nH]nc3c2)CC1 ZINC000271025791 385307941 /nfs/dbraw/zinc/30/79/41/385307941.db2.gz DGSDBXNLOAGUMD-UHFFFAOYSA-N 2 0 286.423 2.868 20 0 CFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282465932 385318388 /nfs/dbraw/zinc/31/83/88/385318388.db2.gz VWWSJPJUQDPGKZ-QGZVFWFLSA-N 2 0 289.467 2.753 20 0 CFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282465930 385319573 /nfs/dbraw/zinc/31/95/73/385319573.db2.gz VWWSJPJUQDPGKZ-KRWDZBQOSA-N 2 0 289.467 2.753 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176644 385284025 /nfs/dbraw/zinc/28/40/25/385284025.db2.gz IRIVJVFNYYVKDE-BHYGNILZSA-N 2 0 282.472 2.711 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](CC3CCSCC3)C2)CC1 ZINC000639176476 385284676 /nfs/dbraw/zinc/28/46/76/385284676.db2.gz HTQVMMKPIFBROO-INIZCTEOSA-N 2 0 282.497 2.793 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000639177138 385284945 /nfs/dbraw/zinc/28/49/45/385284945.db2.gz PRRMVKXZIJXWPP-OAHLLOKOSA-N 2 0 299.418 2.992 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CCCC1 ZINC000639177556 385286494 /nfs/dbraw/zinc/28/64/94/385286494.db2.gz FKHBHKNPGFTLMM-GVDBMIGSSA-N 2 0 280.456 2.608 20 0 CFADRP CC[C@](C)(C[NH2+]CCCCC[NH+]1CCCC1)OC ZINC000639210103 385333124 /nfs/dbraw/zinc/33/31/24/385333124.db2.gz HCVASKLWVLZTMC-OAHLLOKOSA-N 2 0 256.434 2.657 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CS1 ZINC000639211233 385334212 /nfs/dbraw/zinc/33/42/12/385334212.db2.gz RVBJWSCRHRGKAY-UONOGXRCSA-N 2 0 256.459 2.736 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271158953 385355742 /nfs/dbraw/zinc/35/57/42/385355742.db2.gz FEKIWGJOTDNXME-ZDUSSCGKSA-N 2 0 257.381 2.551 20 0 CFADRP CO[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)CC(C)C ZINC000639231385 385360281 /nfs/dbraw/zinc/36/02/81/385360281.db2.gz NKJGPZGFVISTKW-AWEZNQCLSA-N 2 0 258.450 2.758 20 0 CFADRP CO[C@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000639256882 385387142 /nfs/dbraw/zinc/38/71/42/385387142.db2.gz GSNXYBSJJZJOIZ-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000271864787 385395550 /nfs/dbraw/zinc/39/55/50/385395550.db2.gz LFHMDWSWGJZNKT-KRWDZBQOSA-N 2 0 256.393 2.916 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CC1(C)C ZINC000639272086 385401150 /nfs/dbraw/zinc/40/11/50/385401150.db2.gz PWGPGIOTTAOMGB-GJZGRUSLSA-N 2 0 282.472 2.636 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422826568 533116817 /nfs/dbraw/zinc/11/68/17/533116817.db2.gz QXEWTEVZERUFQB-QWHCGFSZSA-N 2 0 262.397 2.529 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000639287078 385414858 /nfs/dbraw/zinc/41/48/58/385414858.db2.gz XRSLKHKBMHOLKW-DZUCGIPZSA-N 2 0 290.476 2.815 20 0 CFADRP c1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000272016903 385427187 /nfs/dbraw/zinc/42/71/87/385427187.db2.gz RHBRLGWNOCMAGE-CVEARBPZSA-N 2 0 256.393 2.892 20 0 CFADRP C([NH2+][C@@H]1CCCN2CCCC[C@H]12)C1CCSCC1 ZINC000639302296 385429403 /nfs/dbraw/zinc/42/94/03/385429403.db2.gz LDXLTJROUWEDMK-HUUCEWRRSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422860588 296390843 /nfs/dbraw/zinc/39/08/43/296390843.db2.gz LQUAWFBQVMMDIR-XMTFNYHQSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000272039802 385433109 /nfs/dbraw/zinc/43/31/09/385433109.db2.gz QCSCKDSOPGZWLK-HOCLYGCPSA-N 2 0 275.440 2.951 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236908 385483628 /nfs/dbraw/zinc/48/36/28/385483628.db2.gz VREBDZOGSRGLSR-JQHSSLGASA-N 2 0 288.435 2.523 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000120931306 412998860 /nfs/dbraw/zinc/99/88/60/412998860.db2.gz HOOIRPCDUXLHEZ-KKUMJFAQSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335541 385461322 /nfs/dbraw/zinc/46/13/22/385461322.db2.gz TZBWKNOHTPDOIL-PBHICJAKSA-N 2 0 282.472 2.759 20 0 CFADRP Nc1c(F)cccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000639335969 385461587 /nfs/dbraw/zinc/46/15/87/385461587.db2.gz ZAJMMQJYNACDEF-UHFFFAOYSA-N 2 0 291.414 2.620 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121406042 413001282 /nfs/dbraw/zinc/00/12/82/413001282.db2.gz ZRYOTAJGHKSUOR-NXOAAHMSSA-N 2 0 292.467 2.656 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CC2CCSCC2)CC1 ZINC000639377850 385495405 /nfs/dbraw/zinc/49/54/05/385495405.db2.gz JRCOGERJIDQXNB-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000337532038 285178952 /nfs/dbraw/zinc/17/89/52/285178952.db2.gz VTWWEMLEIZXFNN-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C[C@@H]1C ZINC000639509900 385565813 /nfs/dbraw/zinc/56/58/13/385565813.db2.gz PLPRFBOVPBREMQ-SOUVJXGZSA-N 2 0 268.445 2.606 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)s1 ZINC000122370388 413005225 /nfs/dbraw/zinc/00/52/25/413005225.db2.gz KFEFKIQCQNTADC-BXUZGUMPSA-N 2 0 252.427 2.870 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272677685 385586843 /nfs/dbraw/zinc/58/68/43/385586843.db2.gz RNOFFINTFZBMSV-JFIYKMOQSA-N 2 0 290.451 2.912 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H](O)c2ccccc2)C1 ZINC000286311734 385587632 /nfs/dbraw/zinc/58/76/32/385587632.db2.gz HEEVAPUCSFWDPS-FUHWJXTLSA-N 2 0 290.451 2.774 20 0 CFADRP Cc1cccc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639684774 385660581 /nfs/dbraw/zinc/66/05/81/385660581.db2.gz YNIOGEVUWPVOJV-UHFFFAOYSA-N 2 0 296.418 2.540 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704148 385674974 /nfs/dbraw/zinc/67/49/74/385674974.db2.gz OPYYBIQPBJDQKM-OAHLLOKOSA-N 2 0 282.391 2.750 20 0 CFADRP CCSCC[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000273726746 385694577 /nfs/dbraw/zinc/69/45/77/385694577.db2.gz MHBUMAROKFTPKD-UHFFFAOYSA-N 2 0 279.453 2.641 20 0 CFADRP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1C(C)(C)C ZINC000639750928 385696646 /nfs/dbraw/zinc/69/66/46/385696646.db2.gz QANCCPQWNVFRHE-HZPDHXFCSA-N 2 0 281.488 2.523 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000639757025 385698220 /nfs/dbraw/zinc/69/82/20/385698220.db2.gz CCUJNSWMSRINPM-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP COCC1(C[NH2+]CC[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000414977058 533140398 /nfs/dbraw/zinc/14/03/98/533140398.db2.gz QAWJAOGTSADUDN-INIZCTEOSA-N 2 0 290.451 2.786 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+]C1CCN(C)CC1 ZINC000287188924 385800041 /nfs/dbraw/zinc/80/00/41/385800041.db2.gz VQLNKFSEYSQIQJ-OAHLLOKOSA-N 2 0 276.424 2.666 20 0 CFADRP CCC[C@@H]([NH2+]CCN(C)C)c1ccc(OC)cc1 ZINC000287210071 385804533 /nfs/dbraw/zinc/80/45/33/385804533.db2.gz WWURCNUWJLBGQZ-OAHLLOKOSA-N 2 0 250.386 2.688 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000639986528 385807104 /nfs/dbraw/zinc/80/71/04/385807104.db2.gz ODURWTQZJRMMRO-HNNXBMFYSA-N 2 0 282.472 2.734 20 0 CFADRP Cc1cc(NCC[N@@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000274814481 385876766 /nfs/dbraw/zinc/87/67/66/385876766.db2.gz OFJAJYMQIZJDLO-UHFFFAOYSA-N 2 0 273.405 2.922 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCC[NH3+] ZINC000123304717 413011530 /nfs/dbraw/zinc/01/15/30/413011530.db2.gz XIVLHFJDLKDWOY-JTQLQIEISA-N 2 0 258.312 2.630 20 0 CFADRP COC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CCCC1 ZINC000446886020 285233448 /nfs/dbraw/zinc/23/34/48/285233448.db2.gz DBWNOXKIBDTXRD-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000247254681 285234889 /nfs/dbraw/zinc/23/48/89/285234889.db2.gz ZYHBVRZRMWTOFC-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP OC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000353520230 285244170 /nfs/dbraw/zinc/24/41/70/285244170.db2.gz NLDUULLLSDOOPD-ADKAHSJRSA-N 2 0 294.483 2.924 20 0 CFADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423318388 533189441 /nfs/dbraw/zinc/18/94/41/533189441.db2.gz KYJYHCGFXXSDEH-IBGZPJMESA-N 2 0 296.414 2.788 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000423280394 533196665 /nfs/dbraw/zinc/19/66/65/533196665.db2.gz UBLVTSQLEOQWIX-JKSUJKDBSA-N 2 0 264.413 2.965 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450839 184676648 /nfs/dbraw/zinc/67/66/48/184676648.db2.gz JBVIANOBHKTHEN-KURKYZTESA-N 2 0 288.435 2.748 20 0 CFADRP COc1cnccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001243078068 781977877 /nfs/dbraw/zinc/97/78/77/781977877.db2.gz SXCLPLQOYLXFDX-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP OCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000130801500 413030922 /nfs/dbraw/zinc/03/09/22/413030922.db2.gz ORQAAFCRZMVSJS-YESZJQIVSA-N 2 0 294.483 2.830 20 0 CFADRP FC(F)(F)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000682029405 542507348 /nfs/dbraw/zinc/50/73/48/542507348.db2.gz NBORZXNHCKBYSG-LBPRGKRZSA-N 2 0 264.335 2.747 20 0 CFADRP Cc1csc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000132099203 413034706 /nfs/dbraw/zinc/03/47/06/413034706.db2.gz KBXOUKIHRUYAPH-KGLIPLIRSA-N 2 0 273.405 2.728 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCc2ccccc2)[C@H](C)C1 ZINC000682078480 542518663 /nfs/dbraw/zinc/51/86/63/542518663.db2.gz YVNFQGIMBQUZIR-AEFFLSMTSA-N 2 0 290.451 2.865 20 0 CFADRP Oc1cccc2c(N3CC[C@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000682239953 542537330 /nfs/dbraw/zinc/53/73/30/542537330.db2.gz OISWCBCHOIEDDR-ZDUSSCGKSA-N 2 0 283.375 2.615 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390911885 262362678 /nfs/dbraw/zinc/36/26/78/262362678.db2.gz PMANRZXSUWYSAH-YNEHKIRRSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000020200431 542571048 /nfs/dbraw/zinc/57/10/48/542571048.db2.gz QAJKNCNZGFKMCD-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000131981957 285352843 /nfs/dbraw/zinc/35/28/43/285352843.db2.gz QMNXURCNCNOGTI-DZKIICNBSA-N 2 0 268.445 2.654 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000281676359 195331082 /nfs/dbraw/zinc/33/10/82/195331082.db2.gz RDYZTAZBSPKHDG-INIZCTEOSA-N 2 0 290.382 2.673 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261549122 296450695 /nfs/dbraw/zinc/45/06/95/296450695.db2.gz HDGZGEORQZFLOY-IBEHDNSVSA-N 2 0 250.430 2.933 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(CCOC)CCCCC2)C1 ZINC000189050941 285382244 /nfs/dbraw/zinc/38/22/44/285382244.db2.gz JRSLIJGPWFBSOH-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423422845 533237281 /nfs/dbraw/zinc/23/72/81/533237281.db2.gz ZEMZZTMFZJKVBX-RCCFBDPRSA-N 2 0 288.435 2.681 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423267793 285393917 /nfs/dbraw/zinc/39/39/17/285393917.db2.gz FGHNQRZVFPYJFI-XJKSGUPXSA-N 2 0 274.408 2.749 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2n[nH]cc2c1 ZINC000423112248 533337638 /nfs/dbraw/zinc/33/76/38/533337638.db2.gz RWDYMCKEFRPDAD-XIKARTHZSA-N 2 0 272.396 2.731 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000422814932 533338001 /nfs/dbraw/zinc/33/80/01/533338001.db2.gz WMBDNGDEOTZQBT-LKSINWNRSA-N 2 0 276.380 2.583 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000423345773 533355014 /nfs/dbraw/zinc/35/50/14/533355014.db2.gz ZARYHBYAUJHZKY-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP COc1ccc2oc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2c1 ZINC000414842036 533355001 /nfs/dbraw/zinc/35/50/01/533355001.db2.gz OSNJGZPUVJDEOP-ZDUSSCGKSA-N 2 0 288.391 2.921 20 0 CFADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)c2c1 ZINC000423298543 533357633 /nfs/dbraw/zinc/35/76/33/533357633.db2.gz OMTROWXASDYLSY-CMPLNLGQSA-N 2 0 276.380 2.995 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422948528 533366540 /nfs/dbraw/zinc/36/65/40/533366540.db2.gz SDMXQCLRXOYSNZ-BBRMVZONSA-N 2 0 276.424 2.690 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(-c2ccncc2)c1 ZINC000423299510 533370484 /nfs/dbraw/zinc/37/04/84/533370484.db2.gz BYPCJLQMINCDKN-CYBMUJFWSA-N 2 0 267.376 2.619 20 0 CFADRP C[C@@H]([NH2+]CCCCOCCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422719611 533377924 /nfs/dbraw/zinc/37/79/24/533377924.db2.gz LYNYAXMZOKICJC-SJLPKXTDSA-N 2 0 290.451 2.756 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423230101 533400444 /nfs/dbraw/zinc/40/04/44/533400444.db2.gz IPCHKVPXOUQQFQ-SLTXQBBLSA-N 2 0 296.455 2.748 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423244181 533402079 /nfs/dbraw/zinc/40/20/79/533402079.db2.gz HKFGDOKSMXXIKT-VXGBXAGGSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423256225 533403268 /nfs/dbraw/zinc/40/32/68/533403268.db2.gz BMYAWXWATFPSSV-HZPDHXFCSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)cc1F ZINC000423308897 533408863 /nfs/dbraw/zinc/40/88/63/533408863.db2.gz PDPNQZDXVJXBIF-DTWKUNHWSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000423301175 533409188 /nfs/dbraw/zinc/40/91/88/533409188.db2.gz SQPVGWZOVVOVSA-WDEREUQCSA-N 2 0 290.329 2.873 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422938280 533456593 /nfs/dbraw/zinc/45/65/93/533456593.db2.gz DMQMVHUBSKQTOU-YOEHRIQHSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423220082 533419353 /nfs/dbraw/zinc/41/93/53/533419353.db2.gz XWTBGFVTLFIQHY-GHMZBOCLSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422891148 533429451 /nfs/dbraw/zinc/42/94/51/533429451.db2.gz KDOXYWKIWAARCF-HYVNUMGLSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414064488 533461906 /nfs/dbraw/zinc/46/19/06/533461906.db2.gz DYEPEAOZMWEPCK-IIAWOOMASA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423124922 533496538 /nfs/dbraw/zinc/49/65/38/533496538.db2.gz MZCVBPUDEPQVQF-ZMSDIMECSA-N 2 0 276.424 2.712 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(Cl)c1 ZINC000422887845 533498747 /nfs/dbraw/zinc/49/87/47/533498747.db2.gz LNVHLVTULNZIRU-BLLLJJGKSA-N 2 0 296.842 2.869 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422738328 533498870 /nfs/dbraw/zinc/49/88/70/533498870.db2.gz YKKDZTYDQUJPHD-BEFAXECRSA-N 2 0 298.430 2.786 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C1C[NH2+]C1 ZINC000422885312 533506367 /nfs/dbraw/zinc/50/63/67/533506367.db2.gz UDXPLVSYKHSHDS-VHSXEESVSA-N 2 0 270.323 2.547 20 0 CFADRP COc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1OC(C)C ZINC000414832302 533511817 /nfs/dbraw/zinc/51/18/17/533511817.db2.gz OMWOFOKAPQZQGE-AWEZNQCLSA-N 2 0 292.423 2.572 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422784252 533512082 /nfs/dbraw/zinc/51/20/82/533512082.db2.gz NUOBYZQPOBYVBR-MELADBBJSA-N 2 0 264.413 2.732 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1OC(C)C ZINC000415033612 533514522 /nfs/dbraw/zinc/51/45/22/533514522.db2.gz IYRBHWFDAMWMNR-DZGCQCFKSA-N 2 0 292.423 2.699 20 0 CFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000423264485 533574893 /nfs/dbraw/zinc/57/48/93/533574893.db2.gz CALYUUBMGZFHBI-DZGCQCFKSA-N 2 0 294.439 2.516 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414883644 533580223 /nfs/dbraw/zinc/58/02/23/533580223.db2.gz NDGRBXWTUUERJV-ZDUSSCGKSA-N 2 0 262.397 2.835 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423129557 533538466 /nfs/dbraw/zinc/53/84/66/533538466.db2.gz FGXGIHKBFQLCPY-NSHDSACASA-N 2 0 289.345 2.750 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422813314 533538527 /nfs/dbraw/zinc/53/85/27/533538527.db2.gz XUHVDYUXFAHCDT-VIFPVBQESA-N 2 0 295.374 2.812 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(C2CC2)cs1 ZINC000422947260 533539557 /nfs/dbraw/zinc/53/95/57/533539557.db2.gz XYKYYOAQTDNCHC-JTQLQIEISA-N 2 0 253.415 2.628 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423128193 533541436 /nfs/dbraw/zinc/54/14/36/533541436.db2.gz KPYJFBCQAHSLEZ-UONOGXRCSA-N 2 0 279.403 2.512 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414672675 533542388 /nfs/dbraw/zinc/54/23/88/533542388.db2.gz BFFATNBKRZIAON-KBPBESRZSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000422810339 533554514 /nfs/dbraw/zinc/55/45/14/533554514.db2.gz ROWIFOHJZNAWPA-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000415023824 533555053 /nfs/dbraw/zinc/55/50/53/533555053.db2.gz NSQKNYPXYMJDRS-LBPRGKRZSA-N 2 0 259.353 2.559 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423346844 533568143 /nfs/dbraw/zinc/56/81/43/533568143.db2.gz QJJBGFVZLIMLPB-RDJZCZTQSA-N 2 0 275.440 2.772 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422868828 533614284 /nfs/dbraw/zinc/61/42/84/533614284.db2.gz WFYHNWXVZUIUFC-KBPBESRZSA-N 2 0 292.423 2.805 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000414656575 533622106 /nfs/dbraw/zinc/62/21/06/533622106.db2.gz NJUPPOPWTDMZLM-LBPRGKRZSA-N 2 0 272.314 2.794 20 0 CFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@@H]1C ZINC000423198048 533636928 /nfs/dbraw/zinc/63/69/28/533636928.db2.gz CQPQMUNXZHJDGW-ILXRZTDVSA-N 2 0 296.455 2.606 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422915955 533659057 /nfs/dbraw/zinc/65/90/57/533659057.db2.gz CAWGDQDYCXGDIV-IAGOWNOFSA-N 2 0 292.423 2.714 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000414802165 533661939 /nfs/dbraw/zinc/66/19/39/533661939.db2.gz KDHYUCFLZFHURM-NSHDSACASA-N 2 0 286.366 2.936 20 0 CFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC000682997290 542624556 /nfs/dbraw/zinc/62/45/56/542624556.db2.gz JYSZOTLMOLJWBL-KRWDZBQOSA-N 2 0 293.499 2.715 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342105238 130264784 /nfs/dbraw/zinc/26/47/84/130264784.db2.gz ODKFEHSJPXDWAN-JQHSSLGASA-N 2 0 288.435 2.687 20 0 CFADRP CC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)COC1 ZINC000164416413 130284318 /nfs/dbraw/zinc/28/43/18/130284318.db2.gz ZLEGYPNGIZVEFA-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000355385168 130298327 /nfs/dbraw/zinc/29/83/27/130298327.db2.gz WIBUUVRMAUUVFY-OAHLLOKOSA-N 2 0 297.487 2.535 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c[nH]c21 ZINC000164418399 130320715 /nfs/dbraw/zinc/32/07/15/130320715.db2.gz XKWKHXZQSDSCEK-WMLDXEAASA-N 2 0 285.435 2.949 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC1(C)C ZINC000342192161 130325860 /nfs/dbraw/zinc/32/58/60/130325860.db2.gz AGUZECVFTTZKSE-OAHLLOKOSA-N 2 0 270.380 2.854 20 0 CFADRP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)[nH]1 ZINC000683108790 542640992 /nfs/dbraw/zinc/64/09/92/542640992.db2.gz DEMADFSQAZAWMT-XQQFMLRXSA-N 2 0 293.459 2.699 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000342275754 130455850 /nfs/dbraw/zinc/45/58/50/130455850.db2.gz SFFVDRCXQOEZLZ-CQSZACIVSA-N 2 0 276.428 2.591 20 0 CFADRP COCC(C)(C)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000683160038 542647715 /nfs/dbraw/zinc/64/77/15/542647715.db2.gz CNEHKPIGLWFZIM-UHFFFAOYSA-N 2 0 270.461 2.711 20 0 CFADRP C([NH2+]CC1CC[NH+](C2CC2)CC1)c1nc2c(s1)CCC2 ZINC000683706443 542713729 /nfs/dbraw/zinc/71/37/29/542713729.db2.gz JBOHVYDTAFJNRJ-UHFFFAOYSA-N 2 0 291.464 2.596 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000401177992 285509212 /nfs/dbraw/zinc/50/92/12/285509212.db2.gz ZKFZEGDVRJFWGM-ZJPYXAASSA-N 2 0 270.420 2.522 20 0 CFADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000268835506 132073937 /nfs/dbraw/zinc/07/39/37/132073937.db2.gz XZJSUXQHORYRKW-FUHWJXTLSA-N 2 0 289.467 2.581 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@@H](C)C1 ZINC000268998110 132097985 /nfs/dbraw/zinc/09/79/85/132097985.db2.gz OHWDPJXJCUTZCE-RYQLBKOJSA-N 2 0 290.451 2.820 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929898 542746724 /nfs/dbraw/zinc/74/67/24/542746724.db2.gz XWOQUVLOPPAQEY-INIZCTEOSA-N 2 0 289.423 2.614 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930557 542747251 /nfs/dbraw/zinc/74/72/51/542747251.db2.gz RIPGIWHVSVQVFR-UHFFFAOYSA-N 2 0 289.423 2.616 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000305899403 393504403 /nfs/dbraw/zinc/50/44/03/393504403.db2.gz OANKXUKWOFSNIG-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)COCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375597307 393508688 /nfs/dbraw/zinc/50/86/88/393508688.db2.gz KGVZIQCFBGMFDG-WBVHZDCISA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000184004485 393523907 /nfs/dbraw/zinc/52/39/07/393523907.db2.gz HLBOOCYNTQQYCF-WCVJEAGWSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000684388117 542798445 /nfs/dbraw/zinc/79/84/45/542798445.db2.gz WECNKIWQVBHKIA-SSHXOBKSSA-N 2 0 268.445 2.654 20 0 CFADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCCC1 ZINC000394544771 393596024 /nfs/dbraw/zinc/59/60/24/393596024.db2.gz WWOOOIFVVIDPEA-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[C@@H]12 ZINC000400946847 393601029 /nfs/dbraw/zinc/60/10/29/393601029.db2.gz ATKTXXLLPLEYBY-ZFOCFWGQSA-N 2 0 274.452 2.789 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000387585881 393590326 /nfs/dbraw/zinc/59/03/26/393590326.db2.gz RBXKIHRPIPENJF-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2cncs2)CC1 ZINC000411172623 393680027 /nfs/dbraw/zinc/68/00/27/393680027.db2.gz IDKSWXZIVVLJLG-UHFFFAOYSA-N 2 0 281.469 2.739 20 0 CFADRP CC(C)[N@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411178519 393680918 /nfs/dbraw/zinc/68/09/18/393680918.db2.gz AIKGYXVROWXNGW-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334997489 393632196 /nfs/dbraw/zinc/63/21/96/393632196.db2.gz DBXWNXGNKAUPBG-LRDDRELGSA-N 2 0 262.372 2.874 20 0 CFADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000192770435 393633004 /nfs/dbraw/zinc/63/30/04/393633004.db2.gz OTHOCAXHXKTEBG-UHFFFAOYSA-N 2 0 281.488 2.665 20 0 CFADRP CCC1([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335009752 393633412 /nfs/dbraw/zinc/63/34/12/393633412.db2.gz HXVSFJZJPNWKNU-RHSMWYFYSA-N 2 0 272.392 2.775 20 0 CFADRP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000335040260 393636267 /nfs/dbraw/zinc/63/62/67/393636267.db2.gz DGGNAEVYCOZBGO-CABCVRRESA-N 2 0 298.789 2.651 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+][C@@H]1CCN(C3CCCC3)C1)CC2 ZINC000335035815 393636588 /nfs/dbraw/zinc/63/65/88/393636588.db2.gz ZXMMSGKFKFNDGH-IAGOWNOFSA-N 2 0 299.462 2.936 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000193124169 393643010 /nfs/dbraw/zinc/64/30/10/393643010.db2.gz CKJAMTGQNJGFAV-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335158331 393646968 /nfs/dbraw/zinc/64/69/68/393646968.db2.gz SZTFZGNIWVIGOQ-CQSZACIVSA-N 2 0 250.773 2.669 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000335250887 393655263 /nfs/dbraw/zinc/65/52/63/393655263.db2.gz URMNLNWFQCKXJL-IAGOWNOFSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1C[NH2+]C1 ZINC000335462680 393669695 /nfs/dbraw/zinc/66/96/95/393669695.db2.gz SKYCIZICXLMWFN-MRXNPFEDSA-N 2 0 269.392 2.663 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081637846 393736917 /nfs/dbraw/zinc/73/69/17/393736917.db2.gz AEIQZKPKCZMFOJ-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1CSCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000336544591 393740057 /nfs/dbraw/zinc/74/00/57/393740057.db2.gz UJPYMIBWFRIBHO-KGLIPLIRSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000221969821 393762604 /nfs/dbraw/zinc/76/26/04/393762604.db2.gz FCWIHMWJHWUXKX-HOSILWTGSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000211081229 393752804 /nfs/dbraw/zinc/75/28/04/393752804.db2.gz GWUDMYXQQARYLF-VWYCJHECSA-N 2 0 252.324 2.647 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337168878 393754589 /nfs/dbraw/zinc/75/45/89/393754589.db2.gz BVEDRGITPJRRRL-SJORKVTESA-N 2 0 295.515 2.769 20 0 CFADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC(C)(C)O ZINC000411269528 393692359 /nfs/dbraw/zinc/69/23/59/393692359.db2.gz HVSRCNVLTWFNPI-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411335950 393701193 /nfs/dbraw/zinc/70/11/93/393701193.db2.gz RUEMCYQJSLLOCU-GOSISDBHSA-N 2 0 288.435 2.893 20 0 CFADRP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411432169 393712408 /nfs/dbraw/zinc/71/24/08/393712408.db2.gz YLQLLCLHKXDENB-QAPCUYQASA-N 2 0 288.435 2.628 20 0 CFADRP CC(C)CN1CCO[C@@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000194807883 393717307 /nfs/dbraw/zinc/71/73/07/393717307.db2.gz MRKVYYAKOGQPDJ-AEFFLSMTSA-N 2 0 290.451 2.737 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccn1)c1cccc(O)c1 ZINC000194909401 393722492 /nfs/dbraw/zinc/72/24/92/393722492.db2.gz VZDDVMLUQPVVKG-ZDUSSCGKSA-N 2 0 271.364 2.940 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000222899285 393763972 /nfs/dbraw/zinc/76/39/72/393763972.db2.gz VFVZZYUJSCCDMH-SQNIBIBYSA-N 2 0 287.451 2.683 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000222903876 393764042 /nfs/dbraw/zinc/76/40/42/393764042.db2.gz JNWVGRCBZSTRFA-UHFFFAOYSA-N 2 0 275.440 2.587 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000222948283 393764417 /nfs/dbraw/zinc/76/44/17/393764417.db2.gz HICUSIWYCHJIAX-CYZMBNFOSA-N 2 0 266.360 2.755 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227054694 393771604 /nfs/dbraw/zinc/77/16/04/393771604.db2.gz MWGCYRJQHALMGT-XJKSGUPXSA-N 2 0 262.397 2.645 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227056432 393771760 /nfs/dbraw/zinc/77/17/60/393771760.db2.gz GSRZSWPNOZCBCY-BBRMVZONSA-N 2 0 262.397 2.645 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337997527 393772244 /nfs/dbraw/zinc/77/22/44/393772244.db2.gz RPVJKXBWDTYLEI-XHSDSOJGSA-N 2 0 286.435 2.605 20 0 CFADRP CC(C)COCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230029638 393777324 /nfs/dbraw/zinc/77/73/24/393777324.db2.gz RJEHYRJFZFWGEK-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000235696770 393785075 /nfs/dbraw/zinc/78/50/75/393785075.db2.gz ANUGLXUUZIPIEO-LSDHHAIUSA-N 2 0 258.409 2.823 20 0 CFADRP [NH3+][C@H]1CCCCCC[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424341333 393836562 /nfs/dbraw/zinc/83/65/62/393836562.db2.gz UYRMOZPOZLJDRL-OLZOCXBDSA-N 2 0 292.427 2.953 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414180444 393797392 /nfs/dbraw/zinc/79/73/92/393797392.db2.gz BBPSCOQQBRAVMP-BVUBDWEXSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1nccs1 ZINC000093405334 393799181 /nfs/dbraw/zinc/79/91/81/393799181.db2.gz CDMXHASEQZPXML-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP C(CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093488441 393800643 /nfs/dbraw/zinc/80/06/43/393800643.db2.gz UJRRIKWOAPXYJF-OKZBNKHCSA-N 2 0 293.499 2.763 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414682028 393802738 /nfs/dbraw/zinc/80/27/38/393802738.db2.gz QMOJYPFJWNKXJM-JKSUJKDBSA-N 2 0 276.424 2.694 20 0 CFADRP Cc1cc(F)cc2c1C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414753166 393803575 /nfs/dbraw/zinc/80/35/75/393803575.db2.gz LUUOIKURBGRUJE-KGLIPLIRSA-N 2 0 276.399 2.880 20 0 CFADRP Cc1cc(F)cc2c1C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414753165 393804287 /nfs/dbraw/zinc/80/42/87/393804287.db2.gz LUUOIKURBGRUJE-KBPBESRZSA-N 2 0 276.399 2.880 20 0 CFADRP CC[C@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[NH+](CC)CC ZINC000424252759 393804476 /nfs/dbraw/zinc/80/44/76/393804476.db2.gz ZJUDMIFRHOLQQU-OAHLLOKOSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@]1(C)CCCO1 ZINC000340184244 393837585 /nfs/dbraw/zinc/83/75/85/393837585.db2.gz RIFDXEOQJJJNHI-PMPSAXMXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1N(C)C ZINC000093944927 393806323 /nfs/dbraw/zinc/80/63/23/393806323.db2.gz KNKKDEFQJJMTJI-HUUCEWRRSA-N 2 0 275.440 2.745 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](C)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424265873 393806800 /nfs/dbraw/zinc/80/68/00/393806800.db2.gz KIWBHXUFEWXKJP-NRKLIOEPSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414937335 393807929 /nfs/dbraw/zinc/80/79/29/393807929.db2.gz VMPSRAKBUTUADN-ZBFHGGJFSA-N 2 0 261.413 2.609 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000414960982 393808067 /nfs/dbraw/zinc/80/80/67/393808067.db2.gz HOVVWLHVLXRZCH-CVEARBPZSA-N 2 0 278.827 2.929 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414954986 393808775 /nfs/dbraw/zinc/80/87/75/393808775.db2.gz MGVQCPUTKOIJTR-OAGGEKHMSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000415039356 393810343 /nfs/dbraw/zinc/81/03/43/393810343.db2.gz NXZVBMWBBYQTTE-FZCLSBEQSA-N 3 0 293.499 2.747 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415048773 393811351 /nfs/dbraw/zinc/81/13/51/393811351.db2.gz XHVHWVPRFWGTSH-JYJNAYRXSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056268 393811394 /nfs/dbraw/zinc/81/13/94/393811394.db2.gz PQSRRLXOAZAHKM-HIEASXQVSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067980 393815226 /nfs/dbraw/zinc/81/52/26/393815226.db2.gz IUQIZWKQCMLVQA-BMFZPTHFSA-N 2 0 274.408 2.540 20 0 CFADRP C[C@]1([NH3+])CCCC[C@@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424350476 393838345 /nfs/dbraw/zinc/83/83/45/393838345.db2.gz XHHCKYKZCJFVQA-RISCZKNCSA-N 2 0 278.400 2.563 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)C[C@H]2C1 ZINC000424308886 393821571 /nfs/dbraw/zinc/82/15/71/393821571.db2.gz HKCJOSNZRWPBDJ-IECFSIQFSA-N 2 0 294.483 2.900 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1OC ZINC000245858670 393831478 /nfs/dbraw/zinc/83/14/78/393831478.db2.gz HMVIKMWYAAYSFH-FVQBIDKESA-N 2 0 280.456 2.654 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000245882763 393832564 /nfs/dbraw/zinc/83/25/64/393832564.db2.gz LASCLLFYNQXFGV-BZUAXINKSA-N 2 0 282.472 2.900 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000246471760 393869878 /nfs/dbraw/zinc/86/98/78/393869878.db2.gz QOFJCIIYIZCLSD-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC000343630232 393888986 /nfs/dbraw/zinc/88/89/86/393888986.db2.gz LJKAMXOFDJNKAF-UHFFFAOYSA-N 2 0 267.376 2.711 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000246910161 393889948 /nfs/dbraw/zinc/88/99/48/393889948.db2.gz FVLVAUQVLSSEEF-ZQIUZPCESA-N 2 0 276.424 2.643 20 0 CFADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246983666 393890933 /nfs/dbraw/zinc/89/09/33/393890933.db2.gz WAUFAGPPOOWYDW-DZKIICNBSA-N 2 0 250.430 2.981 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000112547670 393892237 /nfs/dbraw/zinc/89/22/37/393892237.db2.gz HKBZTJMCQBBPHG-CQSZACIVSA-N 2 0 296.842 2.992 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CCO1 ZINC000424369384 393840687 /nfs/dbraw/zinc/84/06/87/393840687.db2.gz BKCKXMZOBRFRMH-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C2(C)C)C1 ZINC000245965453 393841450 /nfs/dbraw/zinc/84/14/50/393841450.db2.gz YXWUJUUPZXPHKC-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@]1(C)CCCO1 ZINC000340511232 393843386 /nfs/dbraw/zinc/84/33/86/393843386.db2.gz ZEYPBFHOZCGOIH-LBDPXKHJSA-N 2 0 266.429 2.551 20 0 CFADRP COC1CCC(C[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000341317231 393852906 /nfs/dbraw/zinc/85/29/06/393852906.db2.gz VEQHUSPUFBPSHY-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000684613845 542837077 /nfs/dbraw/zinc/83/70/77/542837077.db2.gz YEXDRKJWEDMQFZ-OAGGEKHMSA-N 2 0 250.430 2.910 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000250288245 393928358 /nfs/dbraw/zinc/92/83/58/393928358.db2.gz NPDUEFJPQSAVIY-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000250978337 393930268 /nfs/dbraw/zinc/93/02/68/393930268.db2.gz HVQAENDSXFUDEW-GJZGRUSLSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000251660178 393933037 /nfs/dbraw/zinc/93/30/37/393933037.db2.gz FZSCGQSSBPSVFE-TUVASFSCSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000472572728 393932997 /nfs/dbraw/zinc/93/29/97/393932997.db2.gz YIYCWWANENUYOH-BZUAXINKSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346818511 393933658 /nfs/dbraw/zinc/93/36/58/393933658.db2.gz GORTYCGACOMNBM-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP C1C[C@@H]([NH2+]C2CCSCC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000252982292 393939599 /nfs/dbraw/zinc/93/95/99/393939599.db2.gz VRTFFFQDMNSLKN-RRFJBIMHSA-N 2 0 268.470 2.782 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000474482913 393943775 /nfs/dbraw/zinc/94/37/75/393943775.db2.gz QDZOHUBJZVUTDP-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CSc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000259022139 393946351 /nfs/dbraw/zinc/94/63/51/393946351.db2.gz OAFXUUYBDLBRTF-ZDUSSCGKSA-N 2 0 264.438 2.888 20 0 CFADRP CC1(C)CCC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261583417 393948116 /nfs/dbraw/zinc/94/81/16/393948116.db2.gz RSRGPIIINSLFRK-CABCVRRESA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000417358861 393949880 /nfs/dbraw/zinc/94/98/80/393949880.db2.gz UTKRXZBZQDNAHF-RDJZCZTQSA-N 2 0 293.499 2.713 20 0 CFADRP CCOCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697310 394018790 /nfs/dbraw/zinc/01/87/90/394018790.db2.gz SBUGTNWAINKFPD-OAHLLOKOSA-N 2 0 294.464 2.729 20 0 CFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262051650 393952558 /nfs/dbraw/zinc/95/25/58/393952558.db2.gz ZQLOSXMKECZKSW-WMLDXEAASA-N 2 0 258.409 2.823 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000352967013 394023184 /nfs/dbraw/zinc/02/31/84/394023184.db2.gz KOKSVHSUMNHOCV-KCPJHIHWSA-N 2 0 278.371 2.579 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000271842386 394023563 /nfs/dbraw/zinc/02/35/63/394023563.db2.gz GZDFKFOVRZEHQC-QGZVFWFLSA-N 2 0 256.393 2.834 20 0 CFADRP Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ncc(Cl)s1)CCC2 ZINC000349613493 393971208 /nfs/dbraw/zinc/97/12/08/393971208.db2.gz RRZWFDNQPFOHPC-SNVBAGLBSA-N 2 0 296.827 2.969 20 0 CFADRP C(=C/c1ccncc1)\C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000486946247 393973226 /nfs/dbraw/zinc/97/32/26/393973226.db2.gz ZMJYVWCMEWWGDB-QTWIXLPOSA-N 2 0 293.414 2.959 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C/C=C\c2ccncc2)CC1 ZINC000486952808 393974262 /nfs/dbraw/zinc/97/42/62/393974262.db2.gz ZIQOEEPPSKSIIE-RQOWECAXSA-N 2 0 273.424 2.806 20 0 CFADRP C(=C\c1ccncc1)\C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000486980894 393977352 /nfs/dbraw/zinc/97/73/52/393977352.db2.gz LQQCZDKPKBXENH-IHWYPQMZSA-N 2 0 271.408 2.701 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487265960 393993164 /nfs/dbraw/zinc/99/31/64/393993164.db2.gz CBDMHVMQIITUOR-IVZVJUQRSA-N 2 0 273.424 2.805 20 0 CFADRP [NH3+][C@@H]1CCN(CCCSc2ccccc2Cl)C1 ZINC000430602419 393998262 /nfs/dbraw/zinc/99/82/62/393998262.db2.gz HIAOAMGHMITQCG-LLVKDONJSA-N 2 0 270.829 2.855 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430600770 393998313 /nfs/dbraw/zinc/99/83/13/393998313.db2.gz YLJHCPFTCRTLSD-UHFFFAOYSA-N 2 0 256.434 2.643 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430760351 394006594 /nfs/dbraw/zinc/00/65/94/394006594.db2.gz IRQMRSTWNDAFPI-FDYHWXHSSA-N 2 0 260.372 2.740 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430948089 394007698 /nfs/dbraw/zinc/00/76/98/394007698.db2.gz DMCYPPQZRNITRE-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000126359980 394026482 /nfs/dbraw/zinc/02/64/82/394026482.db2.gz NDYMMDOZBUPWJH-QGZVFWFLSA-N 2 0 290.476 2.948 20 0 CFADRP C[C@H](CC[NH2+]C/C=C\c1ccncc1)[NH+]1CCCCC1 ZINC000487538709 394008880 /nfs/dbraw/zinc/00/88/80/394008880.db2.gz NMKPFOXDLUCQKJ-OGZRUICASA-N 2 0 273.424 2.949 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000352540877 394015349 /nfs/dbraw/zinc/01/53/49/394015349.db2.gz QSQZHZMDENRQFB-OAGGEKHMSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000352540879 394015492 /nfs/dbraw/zinc/01/54/92/394015492.db2.gz QSQZHZMDENRQFB-PMPSAXMXSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@@H](O)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271036318 394015613 /nfs/dbraw/zinc/01/56/13/394015613.db2.gz ROQXFVRPPGDSJC-QZTJIDSGSA-N 2 0 290.451 2.744 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000354190834 394043068 /nfs/dbraw/zinc/04/30/68/394043068.db2.gz LOWQROPIEIPDFV-UHFFFAOYSA-N 2 0 288.391 2.614 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000127203114 394045932 /nfs/dbraw/zinc/04/59/32/394045932.db2.gz KCXJCKGIHWHINU-GDBMZVCRSA-N 2 0 258.409 2.791 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000355129981 394058938 /nfs/dbraw/zinc/05/89/38/394058938.db2.gz JQHRMQYTJKJAIH-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000437579844 394060589 /nfs/dbraw/zinc/06/05/89/394060589.db2.gz INMQUMKNXQXLKF-CYBMUJFWSA-N 2 0 264.388 2.955 20 0 CFADRP CCCC[C@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128417597 394069692 /nfs/dbraw/zinc/06/96/92/394069692.db2.gz QPNNJYOSEJLPPB-ZWKOTPCHSA-N 2 0 295.515 2.963 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C)cs2)[C@H](C)C1 ZINC000128677289 394073913 /nfs/dbraw/zinc/07/39/13/394073913.db2.gz DTDQTZICNFABST-DGCLKSJQSA-N 2 0 267.442 2.614 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358186064 394097600 /nfs/dbraw/zinc/09/76/00/394097600.db2.gz IHYIQAOHLHCTJL-APHBMKBZSA-N 2 0 296.842 2.957 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CCN1C ZINC000129964302 394097699 /nfs/dbraw/zinc/09/76/99/394097699.db2.gz ZTBIYRNGFMXNIH-DIOULYMOSA-N 2 0 262.372 2.885 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353511541 394031270 /nfs/dbraw/zinc/03/12/70/394031270.db2.gz BUDKAQRHODAWNX-VQHPVUNQSA-N 2 0 282.472 2.636 20 0 CFADRP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353525560 394031666 /nfs/dbraw/zinc/03/16/66/394031666.db2.gz HEWIYIKBFWHWDM-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353587808 394033510 /nfs/dbraw/zinc/03/35/10/394033510.db2.gz IZDUIZHVNQOHGV-CWVYHPPDSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000361878374 394178106 /nfs/dbraw/zinc/17/81/06/394178106.db2.gz ZGACOBCYMJCSJJ-CZUORRHYSA-N 2 0 276.399 2.787 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358380088 394106488 /nfs/dbraw/zinc/10/64/88/394106488.db2.gz WOJUAXYVNVDXFL-MDZLAQPJSA-N 2 0 260.372 2.883 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358656303 394111162 /nfs/dbraw/zinc/11/11/62/394111162.db2.gz XUPXPZAUFDRTIQ-UONOGXRCSA-N 2 0 270.461 2.636 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000358777856 394112507 /nfs/dbraw/zinc/11/25/07/394112507.db2.gz SSXSXDRKNPWINS-GJZGRUSLSA-N 2 0 268.470 2.877 20 0 CFADRP CCc1cnc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000130512151 394113282 /nfs/dbraw/zinc/11/32/82/394113282.db2.gz SUSPPMDYNWVYHH-DMDPSCGWSA-N 2 0 267.442 2.524 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217514 394127101 /nfs/dbraw/zinc/12/71/01/394127101.db2.gz LJZNARQNEVWAHT-INIZCTEOSA-N 2 0 288.435 2.874 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442880675 394140140 /nfs/dbraw/zinc/14/01/40/394140140.db2.gz XSCVWGOXKWHTTB-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879550 394140290 /nfs/dbraw/zinc/14/02/90/394140290.db2.gz WPVNRRQCOSGIQE-MRXNPFEDSA-N 2 0 281.488 2.737 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774750 394255675 /nfs/dbraw/zinc/25/56/75/394255675.db2.gz YIXLRMOGNDJDND-OLZOCXBDSA-N 2 0 262.397 2.691 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C1CCOCC1 ZINC000134483539 394197601 /nfs/dbraw/zinc/19/76/01/394197601.db2.gz WWNYODGIKUVHOR-AWEZNQCLSA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000449219626 394255707 /nfs/dbraw/zinc/25/57/07/394255707.db2.gz DUNMPHUOPVOKGL-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150968645 394256840 /nfs/dbraw/zinc/25/68/40/394256840.db2.gz HDPHSVHTWONMIU-ROUUACIJSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@H](O)c2ccccc2)CC1 ZINC000289187951 394215968 /nfs/dbraw/zinc/21/59/68/394215968.db2.gz BBMFVAUGJDOETG-KRWDZBQOSA-N 2 0 276.424 2.573 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422819418 394256918 /nfs/dbraw/zinc/25/69/18/394256918.db2.gz IAZFCVUJYXLBRR-ZYSHUDEJSA-N 2 0 296.414 2.979 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)O1 ZINC000364489109 394220337 /nfs/dbraw/zinc/22/03/37/394220337.db2.gz DYDFCUCETSEUBH-VYDXJSESSA-N 2 0 292.467 2.750 20 0 CFADRP COc1cc(C)ccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000449129107 394221937 /nfs/dbraw/zinc/22/19/37/394221937.db2.gz BOYSPQODXRKLSA-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000449128814 394222320 /nfs/dbraw/zinc/22/23/20/394222320.db2.gz AWSQCBUYXPSQQA-NUJGCVRESA-N 2 0 295.515 2.674 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ncc(C)s2)CC1 ZINC000449132136 394223881 /nfs/dbraw/zinc/22/38/81/394223881.db2.gz SDEBVNKNVOZIPW-UHFFFAOYSA-N 2 0 267.442 2.663 20 0 CFADRP Cc1cn[nH]c1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000289910710 394224224 /nfs/dbraw/zinc/22/42/24/394224224.db2.gz NZWRNXWUSLJRSQ-UHFFFAOYSA-N 2 0 298.434 2.720 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CC[C@H]1CCCO1)CC2)C1CC1 ZINC000364968342 394225258 /nfs/dbraw/zinc/22/52/58/394225258.db2.gz DBOHHNUYASGZOL-DOTOQJQBSA-N 2 0 292.467 2.752 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422907538 394257678 /nfs/dbraw/zinc/25/76/78/394257678.db2.gz LNUFVWWVYHEPNM-PMPSAXMXSA-N 2 0 281.488 2.604 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)C1CCC1 ZINC000449225465 394257955 /nfs/dbraw/zinc/25/79/55/394257955.db2.gz TYXVMFWSHDTDOT-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000365716433 394235275 /nfs/dbraw/zinc/23/52/75/394235275.db2.gz OMFJHBQRTKZLJE-KRWDZBQOSA-N 2 0 280.456 2.898 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000365876146 394237005 /nfs/dbraw/zinc/23/70/05/394237005.db2.gz IWFYSQIHKNPJFY-LESCRADOSA-N 2 0 299.418 2.872 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)C[NH+](C)C ZINC000291782673 394258667 /nfs/dbraw/zinc/25/86/67/394258667.db2.gz VAWZYMKXCIKBCT-OLZOCXBDSA-N 2 0 252.377 2.544 20 0 CFADRP CC1CC[NH+](CCN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000366196709 394241216 /nfs/dbraw/zinc/24/12/16/394241216.db2.gz PPVQAXWTGRRJEF-SFHVURJKSA-N 2 0 293.499 2.526 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000449176729 394242357 /nfs/dbraw/zinc/24/23/57/394242357.db2.gz UFLMTWNTQBQTCW-YUELXQCFSA-N 2 0 250.386 2.673 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422914853 394258922 /nfs/dbraw/zinc/25/89/22/394258922.db2.gz WGMDOXQNVUSHFH-QAPCUYQASA-N 2 0 289.467 2.757 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000139005038 394243981 /nfs/dbraw/zinc/24/39/81/394243981.db2.gz XAFSCNDLVKVULS-HNNXBMFYSA-N 2 0 290.455 2.516 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000422918758 394259138 /nfs/dbraw/zinc/25/91/38/394259138.db2.gz IRBYMZMMLUCZAX-OJLVUWQFSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCC1 ZINC000449191090 394248027 /nfs/dbraw/zinc/24/80/27/394248027.db2.gz OYDNKKWFFWWSQY-KSZLIROESA-N 2 0 294.483 2.923 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000149447254 394249210 /nfs/dbraw/zinc/24/92/10/394249210.db2.gz IKKVTVJPEFTWDX-MRXNPFEDSA-N 2 0 278.827 2.883 20 0 CFADRP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1C[NH2+]C1 ZINC000422722933 394253901 /nfs/dbraw/zinc/25/39/01/394253901.db2.gz ZCXHKTJRBBIHCD-MEDUHNTESA-N 2 0 262.372 2.864 20 0 CFADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422714109 394254056 /nfs/dbraw/zinc/25/40/56/394254056.db2.gz KNWABGUCVSUZTK-IRXDYDNUSA-N 3 0 281.488 2.763 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)O1 ZINC000449218428 394254827 /nfs/dbraw/zinc/25/48/27/394254827.db2.gz ICIMPAJSFBKRQK-RKVPGOIHSA-N 2 0 288.435 2.938 20 0 CFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000423005453 394260840 /nfs/dbraw/zinc/26/08/40/394260840.db2.gz MBBPPCFXDSQHBG-XKQJLSEDSA-N 2 0 296.418 2.803 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCO[C@@H](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423043995 394262085 /nfs/dbraw/zinc/26/20/85/394262085.db2.gz QKTYWPFHPQLYQZ-VGWMRTNUSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1(C)C ZINC000423045199 394262226 /nfs/dbraw/zinc/26/22/26/394262226.db2.gz CMEGHLSFHSYUDR-ZQDZILKHSA-N 2 0 268.445 2.556 20 0 CFADRP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423072863 394262974 /nfs/dbraw/zinc/26/29/74/394262974.db2.gz QEMZKTWLDCMJQH-DGCLKSJQSA-N 2 0 274.364 2.658 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423068023 394263024 /nfs/dbraw/zinc/26/30/24/394263024.db2.gz APDMHMZFORONKF-VSZNYVQBSA-N 2 0 288.435 2.884 20 0 CFADRP CC(C)Oc1ccccc1CNC[C@H](C)C[NH+](C)C ZINC000291810123 394264167 /nfs/dbraw/zinc/26/41/67/394264167.db2.gz YEOJTTQGSGHPOY-AWEZNQCLSA-N 2 0 264.413 2.761 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1csc(C)c1 ZINC000449240608 394264114 /nfs/dbraw/zinc/26/41/14/394264114.db2.gz ZTZUQWXTEDNGRZ-UHFFFAOYSA-N 2 0 270.442 2.505 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCCN1C1CC1 ZINC000423074197 394264345 /nfs/dbraw/zinc/26/43/45/394264345.db2.gz KYQBKPVOYNVDHU-XSLAGTTESA-N 2 0 291.483 2.514 20 0 CFADRP CCOC1CC(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000423075197 394264627 /nfs/dbraw/zinc/26/46/27/394264627.db2.gz WFTGWFGIMUTQMU-IWCVFHTOSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423074285 394264681 /nfs/dbraw/zinc/26/46/81/394264681.db2.gz UIJASYLKHUNVHJ-CWRNSKLLSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423082753 394266218 /nfs/dbraw/zinc/26/62/18/394266218.db2.gz XIBBTRJAELBQLQ-XOYOTBSWSA-N 2 0 288.435 2.884 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423080785 394266516 /nfs/dbraw/zinc/26/65/16/394266516.db2.gz AMHPLGASNQIMBW-YYIAUSFCSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423081346 394266652 /nfs/dbraw/zinc/26/66/52/394266652.db2.gz BJHRSKHZYQYCRU-BQFCYCMXSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423085167 394266909 /nfs/dbraw/zinc/26/69/09/394266909.db2.gz JUQJRTQNENFWNV-MRVPVSSYSA-N 2 0 262.731 2.835 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423084603 394267295 /nfs/dbraw/zinc/26/72/95/394267295.db2.gz IMOOWFAPZIKOCY-WMZOPIPTSA-N 2 0 287.451 2.620 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423090050 394269196 /nfs/dbraw/zinc/26/91/96/394269196.db2.gz WPSBGDKDFJHBCP-KBAYOESNSA-N 2 0 290.451 2.754 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092138 394269312 /nfs/dbraw/zinc/26/93/12/394269312.db2.gz ASHYTTQKDQPHCG-LVLWZLKYSA-N 2 0 280.362 2.928 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092139 394269828 /nfs/dbraw/zinc/26/98/28/394269828.db2.gz ASHYTTQKDQPHCG-NODPJGRNSA-N 2 0 280.362 2.928 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423124326 394271034 /nfs/dbraw/zinc/27/10/34/394271034.db2.gz OHXAAQDVGOMMNW-KOLCDFICSA-N 2 0 288.844 2.732 20 0 CFADRP CC/C=C\C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158046 394272017 /nfs/dbraw/zinc/27/20/17/394272017.db2.gz NRZGJAZDJNSXFA-HQVKWAHHSA-N 2 0 272.392 2.798 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)C12CCC2 ZINC000423178910 394272620 /nfs/dbraw/zinc/27/26/20/394272620.db2.gz LFXMRFBRAGQYHH-KGLIPLIRSA-N 2 0 266.429 2.585 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423226978 394273876 /nfs/dbraw/zinc/27/38/76/394273876.db2.gz TUMHRNRRXRQLAM-JQWIXIFHSA-N 2 0 297.240 2.633 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423234510 394274263 /nfs/dbraw/zinc/27/42/63/394274263.db2.gz PTOFOGIMCYOUML-JOYOIKCWSA-N 2 0 254.374 2.690 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000423288934 394275602 /nfs/dbraw/zinc/27/56/02/394275602.db2.gz ABQWVRTYKDPHAU-OLZOCXBDSA-N 2 0 255.365 2.952 20 0 CFADRP CC1(C[NH2+]C2CCC(C(F)F)CC2)CC[NH2+]CC1 ZINC000423315761 394277100 /nfs/dbraw/zinc/27/71/00/394277100.db2.gz AHECCJPXXXPOKS-UHFFFAOYSA-N 2 0 260.372 2.790 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000423387460 394279662 /nfs/dbraw/zinc/27/96/62/394279662.db2.gz MVVZPOBQTRBROH-TUAOUCFPSA-N 2 0 266.360 2.755 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423376025 394279877 /nfs/dbraw/zinc/27/98/77/394279877.db2.gz IZPJPPFBGOGIJC-AXFHLTTASA-N 2 0 254.399 2.677 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423401431 394279953 /nfs/dbraw/zinc/27/99/53/394279953.db2.gz WDMDOLRXRDYMHK-MVWJERBFSA-N 2 0 253.777 2.656 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@@H]1C1CC[NH2+]CC1 ZINC000423435595 394281910 /nfs/dbraw/zinc/28/19/10/394281910.db2.gz LFGPWBQKHYTAHA-FLXSYLCISA-N 2 0 292.467 2.559 20 0 CFADRP C([NH2+]C1CCC2(CCCCC2)CC1)[C@H]1C[NH2+]CCCO1 ZINC000423494439 394283973 /nfs/dbraw/zinc/28/39/73/394283973.db2.gz SAYUAKFSMJLNLT-MRXNPFEDSA-N 2 0 280.456 2.848 20 0 CFADRP CCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC1 ZINC000423502974 394284488 /nfs/dbraw/zinc/28/44/88/394284488.db2.gz DHZANJBWSYEQIQ-DAWZGUTISA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000370208236 394285204 /nfs/dbraw/zinc/28/52/04/394285204.db2.gz QNSOHVATJHQMAX-GJZGRUSLSA-N 2 0 268.445 2.606 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000370717472 394288287 /nfs/dbraw/zinc/28/82/87/394288287.db2.gz UUOGYYCLUBJDNU-MSOLQXFVSA-N 2 0 293.499 2.811 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423516922 394288461 /nfs/dbraw/zinc/28/84/61/394288461.db2.gz UFVLQCTYIIKHEB-NVBFEUDRSA-N 2 0 278.371 2.539 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cn1 ZINC000423520904 394289204 /nfs/dbraw/zinc/28/92/04/394289204.db2.gz WQALMXHOSLGVMV-JBLDHEPKSA-N 2 0 253.777 2.513 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423524562 394289807 /nfs/dbraw/zinc/28/98/07/394289807.db2.gz ZOHNDTGECHCDDK-ULQDDVLXSA-N 2 0 260.425 2.971 20 0 CFADRP CCc1nc(C)c([C@H](C)NCCC[N@H+](C)CCOC)s1 ZINC000153729107 394290437 /nfs/dbraw/zinc/29/04/37/394290437.db2.gz MUUNFTJTWWQPHN-LBPRGKRZSA-N 2 0 299.484 2.633 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423531623 394292249 /nfs/dbraw/zinc/29/22/49/394292249.db2.gz SYWGEPVWNGBULW-ZSROQAFGSA-N 2 0 262.441 2.918 20 0 CFADRP Cc1ccncc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000370835009 394292777 /nfs/dbraw/zinc/29/27/77/394292777.db2.gz JKWOQLDUHQNNAZ-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536112 394293096 /nfs/dbraw/zinc/29/30/96/394293096.db2.gz GOVDAXMUGKREBM-ZDUSSCGKSA-N 2 0 259.397 2.604 20 0 CFADRP C1C[C@@H]([C@H]2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)CO1 ZINC000423536752 394293292 /nfs/dbraw/zinc/29/32/92/394293292.db2.gz AUYAXOVXTUWSCT-SSDAWUQTSA-N 2 0 292.467 2.559 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000423537102 394293768 /nfs/dbraw/zinc/29/37/68/394293768.db2.gz JBUBUVSHXDPFKP-NSHDSACASA-N 2 0 265.788 2.695 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(C)n1 ZINC000423540449 394294153 /nfs/dbraw/zinc/29/41/53/394294153.db2.gz DNSLNXUZBJMURC-GVDBMIGSSA-N 2 0 273.424 2.709 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423549489 394295645 /nfs/dbraw/zinc/29/56/45/394295645.db2.gz SFDIDEBQXXFTIW-SHFYGJNESA-N 2 0 274.383 2.791 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423551655 394296346 /nfs/dbraw/zinc/29/63/46/394296346.db2.gz JFRHQRXDHIRTPZ-ZDUSSCGKSA-N 2 0 262.372 2.656 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423570079 394298930 /nfs/dbraw/zinc/29/89/30/394298930.db2.gz WUPCZXLFXWMGTP-LLVKDONJSA-N 2 0 266.335 2.925 20 0 CFADRP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000371393278 394300376 /nfs/dbraw/zinc/30/03/76/394300376.db2.gz NJXSKUAQVABPLJ-CAOSSQGBSA-N 2 0 268.445 2.512 20 0 CFADRP CCCCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294057 394300405 /nfs/dbraw/zinc/30/04/05/394300405.db2.gz IWWUUQKJYIMOPR-ARFHVFGLSA-N 2 0 268.445 2.750 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000415083786 533672883 /nfs/dbraw/zinc/67/28/83/533672883.db2.gz NVBUGNCVVWIRIH-YPMHNXCESA-N 2 0 282.815 2.826 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000157227790 394343021 /nfs/dbraw/zinc/34/30/21/394343021.db2.gz QTLLHXBZVBHAGB-XHBSWPGZSA-N 2 0 282.378 2.826 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CCn1cccn1)[NH+]1CCCCC1 ZINC000157361963 394344025 /nfs/dbraw/zinc/34/40/25/394344025.db2.gz RJFGZZQNDXKRCF-JKSUJKDBSA-N 2 0 278.444 2.516 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)CCC2 ZINC000158219209 394355741 /nfs/dbraw/zinc/35/57/41/394355741.db2.gz LHUHPLAHXSQZIG-STQMWFEESA-N 2 0 279.453 2.760 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162845469 394368147 /nfs/dbraw/zinc/36/81/47/394368147.db2.gz RGNOTYNPPYNUAO-JONQDZQNSA-N 2 0 270.461 2.900 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527633844 394393424 /nfs/dbraw/zinc/39/34/24/394393424.db2.gz XOUDFIDNUXYYQH-RCBQFDQVSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)c2nccn21 ZINC000453057306 394381481 /nfs/dbraw/zinc/38/14/81/394381481.db2.gz HXAMHMRTRJLFAE-HZPDHXFCSA-N 2 0 290.455 2.991 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000453327262 394385939 /nfs/dbraw/zinc/38/59/39/394385939.db2.gz ULPMSWZPVLFTJL-JOCBIADPSA-N 2 0 290.451 2.867 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000453341921 394387819 /nfs/dbraw/zinc/38/78/19/394387819.db2.gz HOPYQNRVYHWGOM-DZGCQCFKSA-N 2 0 264.388 2.749 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393849 394395646 /nfs/dbraw/zinc/39/56/46/394395646.db2.gz GNNLKTRMQAAAAS-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP Clc1cnccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000527702439 394399104 /nfs/dbraw/zinc/39/91/04/394399104.db2.gz ZYJFUTMUPQXKRF-UHFFFAOYSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccncc1F ZINC000453417775 394400707 /nfs/dbraw/zinc/40/07/07/394400707.db2.gz XZVAHZXLJYPACZ-LBPRGKRZSA-N 2 0 265.376 2.746 20 0 CFADRP C[C@H](CF)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000685473331 542921668 /nfs/dbraw/zinc/92/16/68/542921668.db2.gz HNPHPSFCFMUDCD-NFAWXSAZSA-N 2 0 256.409 2.977 20 0 CFADRP CCC[C@H](C[NH2+]C1CC[NH+](CCC)CC1)OCC ZINC000527936131 394428818 /nfs/dbraw/zinc/42/88/18/394428818.db2.gz WFWOHMBMBQUSTB-OAHLLOKOSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)C1 ZINC000527979414 394434884 /nfs/dbraw/zinc/43/48/84/394434884.db2.gz GZZHLIGLQDSSBV-JOKDJRIQSA-N 2 0 292.467 2.798 20 0 CFADRP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCN1C1CCCC1 ZINC000528003667 394437579 /nfs/dbraw/zinc/43/75/79/394437579.db2.gz UHAQWTIHJNZKIV-HOTGVXAUSA-N 2 0 278.440 2.552 20 0 CFADRP Cc1ccc2nc(Cn3ccnc3C3CC3)cn2c1 ZINC000530130101 394456382 /nfs/dbraw/zinc/45/63/82/394456382.db2.gz DUBSJJRQLUHPCA-UHFFFAOYSA-N 2 0 252.321 2.765 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530210996 394482065 /nfs/dbraw/zinc/48/20/65/394482065.db2.gz KWOAYJVXDZBXAC-ROUUACIJSA-N 2 0 272.436 2.899 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530212651 394482089 /nfs/dbraw/zinc/48/20/89/394482089.db2.gz RTODDRBNXJXUNG-SJORKVTESA-N 2 0 258.409 2.651 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213527 394483146 /nfs/dbraw/zinc/48/31/46/394483146.db2.gz ADNCFOBDHZHUPA-GOEBONIOSA-N 2 0 273.424 2.667 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cc(CO)ccc1F)CC1CCCC1 ZINC000530218469 394486391 /nfs/dbraw/zinc/48/63/91/394486391.db2.gz MOAWEBDHHLJWBM-UHFFFAOYSA-N 2 0 294.414 2.659 20 0 CFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000530220132 394487257 /nfs/dbraw/zinc/48/72/57/394487257.db2.gz SBYDDKWEZYXZKJ-IAGOWNOFSA-N 2 0 294.414 2.587 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530220904 394487360 /nfs/dbraw/zinc/48/73/60/394487360.db2.gz KBTZTFJRAZSUOF-OLZOCXBDSA-N 2 0 279.815 2.557 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000530223297 394488602 /nfs/dbraw/zinc/48/86/02/394488602.db2.gz SYLAIIRPVPEOKS-XJKSGUPXSA-N 2 0 261.413 2.790 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000530224781 394489458 /nfs/dbraw/zinc/48/94/58/394489458.db2.gz YMSKKNUWPOXRRK-KGLIPLIRSA-N 2 0 293.842 2.947 20 0 CFADRP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCC[NH3+] ZINC000530230960 394491714 /nfs/dbraw/zinc/49/17/14/394491714.db2.gz FIRYXRVAKNBXOZ-AWEZNQCLSA-N 2 0 250.361 2.742 20 0 CFADRP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000530232409 394492629 /nfs/dbraw/zinc/49/26/29/394492629.db2.gz OVOSXSUASZRELE-RISCZKNCSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530248473 394496492 /nfs/dbraw/zinc/49/64/92/394496492.db2.gz KXLUGVTVMSYESK-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000536541884 394559531 /nfs/dbraw/zinc/55/95/31/394559531.db2.gz VLELAWRDDRJBAU-YHUYYLMFSA-N 2 0 252.446 2.942 20 0 CFADRP CCOC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC000530544575 394527174 /nfs/dbraw/zinc/52/71/74/394527174.db2.gz KAIZHAQZXQWGSR-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000535765681 394544067 /nfs/dbraw/zinc/54/40/67/394544067.db2.gz NBAUNWJHMCVPMV-QGZVFWFLSA-N 2 0 288.435 2.928 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000685615256 542934707 /nfs/dbraw/zinc/93/47/07/542934707.db2.gz BWDPGCKCOSAOCG-AEFFLSMTSA-N 2 0 293.499 2.596 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)C1CC1 ZINC000542315918 394701134 /nfs/dbraw/zinc/70/11/34/394701134.db2.gz WWCSBCIBVBTRTM-UHFFFAOYSA-N 2 0 270.380 2.854 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000544579399 394765927 /nfs/dbraw/zinc/76/59/27/394765927.db2.gz QULHXYFADVDQJM-HZPDHXFCSA-N 2 0 292.471 2.973 20 0 CFADRP COCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000685665233 542940416 /nfs/dbraw/zinc/94/04/16/542940416.db2.gz IABJRWGBJXGFLT-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000547433014 394866660 /nfs/dbraw/zinc/86/66/60/394866660.db2.gz OMVKMZXCHVMEHG-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166126451 542951432 /nfs/dbraw/zinc/95/14/32/542951432.db2.gz TVJZOPDUSUWVSN-QZTJIDSGSA-N 2 0 288.435 2.940 20 0 CFADRP COC[C@@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826199 394894083 /nfs/dbraw/zinc/89/40/83/394894083.db2.gz XLHGIOGRCLHVSH-INMHGKMJSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@H]1C[C@H](Nc2cc[nH+]c3ccccc23)C[N@@H+]1C1CC1 ZINC000685909918 542956447 /nfs/dbraw/zinc/95/64/47/542956447.db2.gz KFZDKWOWJJMWAK-STQMWFEESA-N 2 0 267.376 2.694 20 0 CFADRP C[C@H]1C[C@@H](Nc2cc[nH+]c3c(O)cccc23)C[N@@H+]1C1CC1 ZINC000685909828 542956615 /nfs/dbraw/zinc/95/66/15/542956615.db2.gz FZZXROHVONNUOK-NWDGAFQWSA-N 2 0 283.375 2.978 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166174288 542958720 /nfs/dbraw/zinc/95/87/20/542958720.db2.gz KTKUKJFDOXKEBP-QZTJIDSGSA-N 3 0 293.499 2.715 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166715630 542967110 /nfs/dbraw/zinc/96/71/10/542967110.db2.gz DYRBMTOKRWOZDK-BRWVUGGUSA-N 2 0 288.435 2.979 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)sc1C ZINC000166863923 542967142 /nfs/dbraw/zinc/96/71/42/542967142.db2.gz CYVNGDOCOBGNSY-ZIAGYGMSSA-N 2 0 279.453 2.519 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000556952920 395027044 /nfs/dbraw/zinc/02/70/44/395027044.db2.gz ZAEVAPYJOLFBKV-INIZCTEOSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC(C(C)C)C(C)C)CC1 ZINC000556404323 395000874 /nfs/dbraw/zinc/00/08/74/395000874.db2.gz KGHIXBYOTIFJLK-INIZCTEOSA-N 2 0 283.504 2.530 20 0 CFADRP CCc1noc(CC)c1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000167004166 542968399 /nfs/dbraw/zinc/96/83/99/542968399.db2.gz DKWITHXSIJHAKY-GFCCVEGCSA-N 2 0 279.428 2.619 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC000556863141 395022402 /nfs/dbraw/zinc/02/24/02/395022402.db2.gz OWDDWAULJDTZRF-TVFCKZIOSA-N 2 0 295.515 2.815 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@H]3CCC[C@@H](C)C3)[C@H]2C1 ZINC000555592957 394977439 /nfs/dbraw/zinc/97/74/39/394977439.db2.gz LPWGXJCHBPTUSD-LTIDMASMSA-N 2 0 280.456 2.608 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@H]2C(C)C)CC[NH+](C)CC1 ZINC000558505134 395062696 /nfs/dbraw/zinc/06/26/96/395062696.db2.gz AXHDQMRRDWBHGR-KBPBESRZSA-N 2 0 270.486 2.838 20 0 CFADRP FC(F)O[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000558863613 395078221 /nfs/dbraw/zinc/07/82/21/395078221.db2.gz BNPIVAJKLHQXFT-AWEZNQCLSA-N 2 0 293.317 2.686 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000569108130 395084849 /nfs/dbraw/zinc/08/48/49/395084849.db2.gz KSBONNQIXNOCKH-UHFFFAOYSA-N 2 0 296.842 2.850 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000570624354 395085362 /nfs/dbraw/zinc/08/53/62/395085362.db2.gz BSSFFZKWGBWZAQ-WDEREUQCSA-N 2 0 272.339 2.546 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000648448131 395147195 /nfs/dbraw/zinc/14/71/95/395147195.db2.gz CCVCCVSPOUFXRL-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648439123 395143122 /nfs/dbraw/zinc/14/31/22/395143122.db2.gz IVKUEUGHBSAODT-YOEHRIQHSA-N 2 0 260.425 2.864 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000647129826 395167626 /nfs/dbraw/zinc/16/76/26/395167626.db2.gz BYUOOSGRYUVEJW-KBPBESRZSA-N 2 0 288.395 2.748 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000180131486 543010775 /nfs/dbraw/zinc/01/07/75/543010775.db2.gz PZWFMJIRDLADTM-KBPBESRZSA-N 2 0 278.444 2.881 20 0 CFADRP c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1C[NH+]1CCCC1 ZINC000647144703 395173425 /nfs/dbraw/zinc/17/34/25/395173425.db2.gz DQNQPTQKBVXIEP-OAHLLOKOSA-N 2 0 298.390 2.757 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)CC(F)F ZINC000647226574 395238660 /nfs/dbraw/zinc/23/86/60/395238660.db2.gz MOCJOWKDUYQCNC-LLVKDONJSA-N 2 0 294.349 2.957 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CCO1 ZINC000648519072 395183622 /nfs/dbraw/zinc/18/36/22/395183622.db2.gz UQVLVRZDWJPDCJ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000647172182 395197723 /nfs/dbraw/zinc/19/77/23/395197723.db2.gz LTNJOHQWZLTPQR-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H](CCO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647185018 395208520 /nfs/dbraw/zinc/20/85/20/395208520.db2.gz LTPALKLKGLDPLK-DOTOQJQBSA-N 2 0 288.435 2.544 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647199995 395220726 /nfs/dbraw/zinc/22/07/26/395220726.db2.gz BITPIZKVQWZFDR-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000647207116 395224406 /nfs/dbraw/zinc/22/44/06/395224406.db2.gz XKXSMVKDEWYTEF-UHFFFAOYSA-N 2 0 290.455 2.503 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1[nH]nc2ccccc21 ZINC000648752670 395298220 /nfs/dbraw/zinc/29/82/20/395298220.db2.gz ZEAIHSPHPHJYLS-UHFFFAOYSA-N 2 0 274.412 2.773 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000647344077 395306140 /nfs/dbraw/zinc/30/61/40/395306140.db2.gz IOHOAOROYYRGNG-XQZMSQOBSA-N 2 0 272.436 2.966 20 0 CFADRP C[C@H]([NH2+][C@H](CCO)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000647345088 395307542 /nfs/dbraw/zinc/30/75/42/395307542.db2.gz DHEOTKPNEMMKHH-SUMWQHHRSA-N 2 0 294.414 2.569 20 0 CFADRP CC1CC([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647344820 395307938 /nfs/dbraw/zinc/30/79/38/395307938.db2.gz ZVFGOYNEIRRKJR-INXRADFVSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@H]([NH2+]CC1CCC(F)CC1)C1CC[NH+](C)CC1 ZINC000647349237 395308869 /nfs/dbraw/zinc/30/88/69/395308869.db2.gz FYIQVFRMRKCJJD-OPFPJEHXSA-N 2 0 256.409 2.835 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000647356873 395312036 /nfs/dbraw/zinc/31/20/36/395312036.db2.gz SRJCGNWWEUOXOS-ZKXLYKBJSA-N 2 0 294.483 2.902 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c1)NCC2 ZINC000647479580 395354112 /nfs/dbraw/zinc/35/41/12/395354112.db2.gz LXUBIFCGOGWNCF-WBVHZDCISA-N 2 0 285.435 2.619 20 0 CFADRP c1cnc2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2c1 ZINC000647482969 395355508 /nfs/dbraw/zinc/35/55/08/395355508.db2.gz NMFHBEVWKLBPFM-UHFFFAOYSA-N 2 0 281.403 2.951 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647485335 395356770 /nfs/dbraw/zinc/35/67/70/395356770.db2.gz PXHYLNUQSIJJET-HNNXBMFYSA-N 2 0 260.425 2.896 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000647494214 395358682 /nfs/dbraw/zinc/35/86/82/395358682.db2.gz GQFIIXQQPDLQDT-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647498564 395362577 /nfs/dbraw/zinc/36/25/77/395362577.db2.gz KEOQYUHBYITHHO-PBHICJAKSA-N 2 0 298.434 2.944 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000647530931 395374858 /nfs/dbraw/zinc/37/48/58/395374858.db2.gz PPEOCKWYQOTKDF-UHFFFAOYSA-N 2 0 255.365 2.548 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542894 395384124 /nfs/dbraw/zinc/38/41/24/395384124.db2.gz DKTANGQUPFFBSV-KGLIPLIRSA-N 2 0 279.453 2.663 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542683 395384382 /nfs/dbraw/zinc/38/43/82/395384382.db2.gz AAXAOXBNTSVIAG-HZPDHXFCSA-N 2 0 288.435 2.907 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1F ZINC000647545802 395385653 /nfs/dbraw/zinc/38/56/53/395385653.db2.gz WDOONYXXFQBGLR-ZIAGYGMSSA-N 2 0 292.398 2.656 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544022 395385662 /nfs/dbraw/zinc/38/56/62/395385662.db2.gz VPFUZBLIITVVEP-NVXWUHKLSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647548888 395387968 /nfs/dbraw/zinc/38/79/68/395387968.db2.gz ZGJLALAOXZSDRD-FGTMMUONSA-N 2 0 272.436 2.824 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549384 395388016 /nfs/dbraw/zinc/38/80/16/395388016.db2.gz XHVFHNQJJGYKCI-RFQIPJPRSA-N 2 0 292.398 2.873 20 0 CFADRP Clc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549325 395388216 /nfs/dbraw/zinc/38/82/16/395388216.db2.gz UFYRZOXMJAGIRX-IJEWVQPXSA-N 2 0 278.827 2.860 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549886 395389160 /nfs/dbraw/zinc/38/91/60/395389160.db2.gz WMEGMORBQQHECV-BRWVUGGUSA-N 2 0 272.436 2.824 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)cc2cccnc21 ZINC000647552659 395390497 /nfs/dbraw/zinc/39/04/97/395390497.db2.gz PKVJOHQUYXFJIH-WDEREUQCSA-N 2 0 261.344 2.589 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@H]2CCC[NH2+]C2)cn1 ZINC000647552477 395390555 /nfs/dbraw/zinc/39/05/55/395390555.db2.gz APYFUNSCMDNFKZ-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000647552658 395390670 /nfs/dbraw/zinc/39/06/70/395390670.db2.gz PKVJOHQUYXFJIH-QWRGUYRKSA-N 2 0 261.344 2.589 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000647874696 395449000 /nfs/dbraw/zinc/44/90/00/395449000.db2.gz NKPCBWJIVIULEF-GOEBONIOSA-N 2 0 276.424 2.558 20 0 CFADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873383 395449042 /nfs/dbraw/zinc/44/90/42/395449042.db2.gz CHOSIJXBEVJNCF-RHSMWYFYSA-N 2 0 274.408 2.832 20 0 CFADRP C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647881208 395450727 /nfs/dbraw/zinc/45/07/27/395450727.db2.gz SLYVNNANAAVIGR-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647880938 395450775 /nfs/dbraw/zinc/45/07/75/395450775.db2.gz HMWBQSWIZBZFJX-HNNXBMFYSA-N 2 0 298.434 2.551 20 0 CFADRP Fc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000647884441 395452414 /nfs/dbraw/zinc/45/24/14/395452414.db2.gz QIBCCEZUTMVMAT-GFCCVEGCSA-N 2 0 280.362 2.754 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000647885957 395453692 /nfs/dbraw/zinc/45/36/92/395453692.db2.gz URLDIYCLEQNGEV-UHFFFAOYSA-N 2 0 280.456 2.659 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000647889999 395454328 /nfs/dbraw/zinc/45/43/28/395454328.db2.gz DQJAGJYKXXTFMH-SJORKVTESA-N 2 0 260.425 2.939 20 0 CFADRP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000647892276 395454777 /nfs/dbraw/zinc/45/47/77/395454777.db2.gz LVMVBCGFVYUFKX-LBPRGKRZSA-N 2 0 288.313 2.627 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000647910777 395456181 /nfs/dbraw/zinc/45/61/81/395456181.db2.gz FJJARNPSFDMYHX-UONOGXRCSA-N 2 0 256.459 2.546 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccsc2)CC[C@H]1[NH3+] ZINC000647934473 395460832 /nfs/dbraw/zinc/46/08/32/395460832.db2.gz GPUJWGMIAYGAMQ-ZIAGYGMSSA-N 2 0 252.427 2.740 20 0 CFADRP CC[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1[NH3+] ZINC000647934684 395461119 /nfs/dbraw/zinc/46/11/19/395461119.db2.gz MHZPDBFXGIUCMS-WDEREUQCSA-N 2 0 252.324 2.778 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@H]1[NH3+] ZINC000647937240 395461412 /nfs/dbraw/zinc/46/14/12/395461412.db2.gz UAALTHRECGQRMO-QZTJIDSGSA-N 2 0 290.451 2.695 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647937443 395462218 /nfs/dbraw/zinc/46/22/18/395462218.db2.gz ZFXYJEYCEAZFOV-SJORKVTESA-N 2 0 260.425 2.851 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647937442 395462437 /nfs/dbraw/zinc/46/24/37/395462437.db2.gz ZFXYJEYCEAZFOV-IRXDYDNUSA-N 2 0 260.425 2.851 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000647990183 395474292 /nfs/dbraw/zinc/47/42/92/395474292.db2.gz BNZRXUASQMTEED-OAHLLOKOSA-N 2 0 262.397 2.515 20 0 CFADRP Cc1ccc(CN(C[C@@H](O)C[N@H+](C)C(C)C)C(C)C)s1 ZINC000647960753 395466207 /nfs/dbraw/zinc/46/62/07/395466207.db2.gz GYMNUBBADDALEJ-HNNXBMFYSA-N 2 0 298.496 2.968 20 0 CFADRP Cc1ccccc1C1([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000647995188 395474678 /nfs/dbraw/zinc/47/46/78/395474678.db2.gz DBHXGHGTNHVJSJ-OAHLLOKOSA-N 2 0 258.409 2.963 20 0 CFADRP CCc1ccc2[nH+]ccc(N[C@@H](C)C[C@H](C)[NH3+])c2c1 ZINC000647711402 395417841 /nfs/dbraw/zinc/41/78/41/395417841.db2.gz LPXQUKZLZKWABY-RYUDHWBXSA-N 2 0 257.381 2.757 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000647977540 395471545 /nfs/dbraw/zinc/47/15/45/395471545.db2.gz DCDABEHOIXQPSZ-YESZJQIVSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785478 395428024 /nfs/dbraw/zinc/42/80/24/395428024.db2.gz AEQPLSHZNPTLFN-DJIMGWMZSA-N 2 0 288.435 2.952 20 0 CFADRP c1ccc2nc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000647786122 395428040 /nfs/dbraw/zinc/42/80/40/395428040.db2.gz INIPDZKXPXNJHC-JFIYKMOQSA-N 2 0 295.430 2.755 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647785963 395428056 /nfs/dbraw/zinc/42/80/56/395428056.db2.gz GXUTYDKZTQFGDG-KZNAEPCWSA-N 2 0 272.436 2.824 20 0 CFADRP CC(C)c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647790120 395429461 /nfs/dbraw/zinc/42/94/61/395429461.db2.gz RMEJTVYJHVICRR-YNEHKIRRSA-N 2 0 279.453 2.744 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647791544 395429741 /nfs/dbraw/zinc/42/97/41/395429741.db2.gz HAYVAKPDANJBKY-IIAWOOMASA-N 2 0 286.419 2.662 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794728 395431383 /nfs/dbraw/zinc/43/13/83/395431383.db2.gz BXKVWIYZTBPHBT-ALYAQQCSSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795170 395432057 /nfs/dbraw/zinc/43/20/57/395432057.db2.gz JFCKPPXEIFAQEN-JYYAWHABSA-N 2 0 286.419 2.796 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795842 395432183 /nfs/dbraw/zinc/43/21/83/395432183.db2.gz YCPYHBBPPHNKAV-SCDSUCTJSA-N 2 0 282.790 2.957 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795172 395432232 /nfs/dbraw/zinc/43/22/32/395432232.db2.gz JFCKPPXEIFAQEN-KCYZZUKISA-N 2 0 286.419 2.796 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798815 395433457 /nfs/dbraw/zinc/43/34/57/395433457.db2.gz XWPJEBNZAQKTDS-APIJFGDWSA-N 2 0 288.460 2.854 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000647800468 395433815 /nfs/dbraw/zinc/43/38/15/395433815.db2.gz BPNQAMDJJNMLCG-STQMWFEESA-N 2 0 280.437 2.647 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647800391 395433830 /nfs/dbraw/zinc/43/38/30/395433830.db2.gz AGDSLQNPTWUSTC-ZJUUUORDSA-N 2 0 271.355 2.791 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000647801427 395434429 /nfs/dbraw/zinc/43/44/29/395434429.db2.gz VCNSFVYBKHAOKR-JTQLQIEISA-N 2 0 286.322 2.615 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000647804497 395436694 /nfs/dbraw/zinc/43/66/94/395436694.db2.gz SKDCROPMUQRWID-MRXNPFEDSA-N 2 0 276.424 2.718 20 0 CFADRP c1cc(CCC[N@H+](C2CC2)C2CC[NH2+]CC2)cs1 ZINC000647815283 395438748 /nfs/dbraw/zinc/43/87/48/395438748.db2.gz XFFCWSNZFRPCOT-UHFFFAOYSA-N 2 0 264.438 2.897 20 0 CFADRP CCc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814832 395438848 /nfs/dbraw/zinc/43/88/48/395438848.db2.gz IBXQKIDXGBPPRC-UHFFFAOYSA-N 2 0 258.409 2.965 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCC(C)(C)[NH3+] ZINC000649343108 395476056 /nfs/dbraw/zinc/47/60/56/395476056.db2.gz FIQWUBLGZIBQJD-UHFFFAOYSA-N 2 0 277.412 2.513 20 0 CFADRP CC(C)Cn1nccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000648003717 395477345 /nfs/dbraw/zinc/47/73/45/395477345.db2.gz XUPDSRHWEKWMTN-UHFFFAOYSA-N 2 0 292.471 2.703 20 0 CFADRP C[C@H](Nc1ccc(N2CCCC2)nc1)C1CC[NH+](C)CC1 ZINC000036982091 543025498 /nfs/dbraw/zinc/02/54/98/543025498.db2.gz CUCQEBALUOGHKC-AWEZNQCLSA-N 2 0 288.439 2.824 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000649382078 395481701 /nfs/dbraw/zinc/48/17/01/395481701.db2.gz FJYBEUWXWYPMPP-GOSISDBHSA-N 2 0 291.483 2.589 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000649413845 395489214 /nfs/dbraw/zinc/48/92/14/395489214.db2.gz MQZDYOWLNUYNHP-WBVHZDCISA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649418004 395490507 /nfs/dbraw/zinc/49/05/07/395490507.db2.gz UGXPMBDZLOREER-PVAVHDDUSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417788 395490518 /nfs/dbraw/zinc/49/05/18/395490518.db2.gz HCDMIMQRFYCRLX-CABCVRRESA-N 2 0 293.480 2.706 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068305 395495917 /nfs/dbraw/zinc/49/59/17/395495917.db2.gz PNQJLMVUGFIIRR-ORQFMDKSSA-N 2 0 290.476 2.673 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221713 543027863 /nfs/dbraw/zinc/02/78/63/543027863.db2.gz PBYVRPUUEVTIJV-WMLDXEAASA-N 2 0 283.504 2.673 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000037240445 543028405 /nfs/dbraw/zinc/02/84/05/543028405.db2.gz CNQUWGPQNQMNDJ-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183299829 543037726 /nfs/dbraw/zinc/03/77/26/543037726.db2.gz HNDWFJBBBMXFAY-CQSZACIVSA-N 2 0 269.392 2.618 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382033486 543093407 /nfs/dbraw/zinc/09/34/07/543093407.db2.gz FMODIYUAKYAPPO-WBVHZDCISA-N 2 0 290.451 2.505 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135497 543097758 /nfs/dbraw/zinc/09/77/58/543097758.db2.gz FDGWRWUNYLZVJZ-WMLDXEAASA-N 2 0 298.434 2.891 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000340518372 292077504 /nfs/dbraw/zinc/07/75/04/292077504.db2.gz SHNUWMFJZYFNLA-KBPBESRZSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000067453030 292105904 /nfs/dbraw/zinc/10/59/04/292105904.db2.gz UMVDPGMELJKNEQ-IAGOWNOFSA-N 2 0 290.451 2.974 20 0 CFADRP FC1(F)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401008256 413160400 /nfs/dbraw/zinc/16/04/00/413160400.db2.gz QFONPAXRNJBOHV-GMXVVIOVSA-N 2 0 258.356 2.542 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401020264 413160762 /nfs/dbraw/zinc/16/07/62/413160762.db2.gz KLBISPDJRALPTN-YQQAZPJKSA-N 2 0 276.399 2.654 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401023211 413160910 /nfs/dbraw/zinc/16/09/10/413160910.db2.gz LZCOSBSWJBLKFR-UIEKQHFFSA-N 2 0 250.430 2.790 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401143614 413159169 /nfs/dbraw/zinc/15/91/69/413159169.db2.gz NICYQGPKVCIJGM-MELADBBJSA-N 2 0 296.361 2.766 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401028519 413159377 /nfs/dbraw/zinc/15/93/77/413159377.db2.gz KFZCORKPWOXTCM-SQWLQELKSA-N 2 0 278.827 2.860 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000401052351 413159457 /nfs/dbraw/zinc/15/94/57/413159457.db2.gz YXXOIJOMKQBWFH-RRFJBIMHSA-N 2 0 250.430 2.935 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917799 397550890 /nfs/dbraw/zinc/55/08/90/397550890.db2.gz MIGHMMUKCZUJMI-WBVHZDCISA-N 2 0 274.408 2.529 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917788 397551566 /nfs/dbraw/zinc/55/15/66/397551566.db2.gz BHKPGUXBXRLTSO-WMZOPIPTSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc(C(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000388780767 397538789 /nfs/dbraw/zinc/53/87/89/397538789.db2.gz WAXYWGLETBMBDT-RTBURBONSA-N 2 0 292.426 2.970 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)[C@H](C)C1 ZINC000177343040 397608326 /nfs/dbraw/zinc/60/83/26/397608326.db2.gz PMZLCCFHUWSMSJ-YCPHGPKFSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000347117525 397657290 /nfs/dbraw/zinc/65/72/90/397657290.db2.gz URWLACUMXFBPJL-OIISXLGYSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cncs1 ZINC000650757987 397885484 /nfs/dbraw/zinc/88/54/84/397885484.db2.gz GEZKRMMXPPRLLL-LLVKDONJSA-N 2 0 261.394 2.713 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000650757881 397885504 /nfs/dbraw/zinc/88/55/04/397885504.db2.gz CURVTKSTHNRUTF-CYBMUJFWSA-N 2 0 270.376 2.962 20 0 CFADRP FCCC[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761780 397886915 /nfs/dbraw/zinc/88/69/15/397886915.db2.gz KQRRDYWIWMTHRW-CABCVRRESA-N 2 0 256.409 2.884 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762513 397887317 /nfs/dbraw/zinc/88/73/17/397887317.db2.gz CKVRWXBGAYMOHD-KRWDZBQOSA-N 2 0 290.476 2.996 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650702518 397859005 /nfs/dbraw/zinc/85/90/05/397859005.db2.gz JUMVGXOYOJIBKY-ZDUSSCGKSA-N 2 0 258.409 2.735 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650703144 397859499 /nfs/dbraw/zinc/85/94/99/397859499.db2.gz NDOVSIRJDJANRG-UHFFFAOYSA-N 2 0 288.435 2.505 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC000650705648 397860952 /nfs/dbraw/zinc/86/09/52/397860952.db2.gz PAQYIINPPLJOGL-UXLLHSPISA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc3cnccc31)C2 ZINC000650709339 397861672 /nfs/dbraw/zinc/86/16/72/397861672.db2.gz SOYABQHYGZAZLZ-WMZOPIPTSA-N 2 0 281.403 2.796 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000650763171 397887905 /nfs/dbraw/zinc/88/79/05/397887905.db2.gz SYOJPAZNKHSXFX-ZDUSSCGKSA-N 2 0 292.471 2.987 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711125 397864191 /nfs/dbraw/zinc/86/41/91/397864191.db2.gz JHURQSQJEDKJIE-YPMHNXCESA-N 2 0 267.442 2.655 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2c1 ZINC000650711196 397864244 /nfs/dbraw/zinc/86/42/44/397864244.db2.gz LFEWJQVGWDRFAC-GOEBONIOSA-N 2 0 286.423 2.592 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CCC2(C[NH3+])CC2)C[C@H]1c1ccccc1 ZINC000650713335 397864490 /nfs/dbraw/zinc/86/44/90/397864490.db2.gz PDRRRNZNCHHFNU-NUEKZKHPSA-N 2 0 258.409 2.897 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000650712242 397864510 /nfs/dbraw/zinc/86/45/10/397864510.db2.gz XPKMNODPEPVXCP-RHSMWYFYSA-N 2 0 275.440 2.772 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000650712138 397864967 /nfs/dbraw/zinc/86/49/67/397864967.db2.gz SDPDCDLTTHKBNX-UHFFFAOYSA-N 2 0 283.213 2.668 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000650713685 397865782 /nfs/dbraw/zinc/86/57/82/397865782.db2.gz ZTMIEHJFCYIYCO-CQSZACIVSA-N 2 0 282.378 2.972 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713755 397865869 /nfs/dbraw/zinc/86/58/69/397865869.db2.gz AMYSSHVVSVYSAZ-GFCCVEGCSA-N 2 0 252.427 2.788 20 0 CFADRP Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1Cl ZINC000650713939 397865990 /nfs/dbraw/zinc/86/59/90/397865990.db2.gz JYWJWLDYABGOFU-UHFFFAOYSA-N 2 0 252.789 2.867 20 0 CFADRP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716701 397866449 /nfs/dbraw/zinc/86/64/49/397866449.db2.gz HGFKKFPPUKJOBW-AWEZNQCLSA-N 2 0 268.376 2.579 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717641 397867674 /nfs/dbraw/zinc/86/76/74/397867674.db2.gz IDXQVAMLVZCDRH-BXUZGUMPSA-N 2 0 250.361 2.953 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)c(F)c1 ZINC000650717886 397867761 /nfs/dbraw/zinc/86/77/61/397867761.db2.gz PTHUVVWSJLYQPB-QGZVFWFLSA-N 2 0 284.378 2.932 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCc2ccc(C[NH3+])cc2F)CC1 ZINC000650717734 397867856 /nfs/dbraw/zinc/86/78/56/397867856.db2.gz KQTHVSIEENOQGE-UHFFFAOYSA-N 2 0 293.430 2.637 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000650719117 397868268 /nfs/dbraw/zinc/86/82/68/397868268.db2.gz DRTDINNIGAUCCW-UHFFFAOYSA-N 2 0 276.330 2.974 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000650763660 397888452 /nfs/dbraw/zinc/88/84/52/397888452.db2.gz GOSSXTWMMVDHGO-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650718034 397868466 /nfs/dbraw/zinc/86/84/66/397868466.db2.gz VMRJCFKENXTIOH-IUIKQTSFSA-N 2 0 292.398 2.578 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)N2 ZINC000650720840 397869076 /nfs/dbraw/zinc/86/90/76/397869076.db2.gz CMOSFSZJKJGTBV-WNRNVDISSA-N 2 0 299.462 2.781 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](COC)CC(C)C ZINC000650720321 397869207 /nfs/dbraw/zinc/86/92/07/397869207.db2.gz LKBUEKHCTCQYRU-MRXNPFEDSA-N 2 0 264.413 2.557 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cn1 ZINC000650763978 397888490 /nfs/dbraw/zinc/88/84/90/397888490.db2.gz NIGRFBQZJOWWRX-ZDUSSCGKSA-N 2 0 264.417 2.504 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(COC)c1 ZINC000650719472 397869348 /nfs/dbraw/zinc/86/93/48/397869348.db2.gz RCENDBYZCOFVMH-UHFFFAOYSA-N 2 0 284.403 2.842 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000650722080 397870203 /nfs/dbraw/zinc/87/02/03/397870203.db2.gz KAYSJDVHTMKDEY-ZACQAIPSSA-N 2 0 292.398 2.687 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722339 397870271 /nfs/dbraw/zinc/87/02/71/397870271.db2.gz QBMCVYVDPDHCGG-KURKYZTESA-N 2 0 288.435 2.856 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763664 397888559 /nfs/dbraw/zinc/88/85/59/397888559.db2.gz GPWCVEGGJBXPSW-LBPRGKRZSA-N 2 0 252.427 2.658 20 0 CFADRP CC(C)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650725037 397871739 /nfs/dbraw/zinc/87/17/39/397871739.db2.gz RVFRBUKDXMJWTH-OAGGEKHMSA-N 2 0 268.445 2.783 20 0 CFADRP CC[C@H](OCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000650741379 397875164 /nfs/dbraw/zinc/87/51/64/397875164.db2.gz CIIPAOCYXWGXAM-IKGGRYGDSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000650741586 397875360 /nfs/dbraw/zinc/87/53/60/397875360.db2.gz GUVRRJZQAQBWFL-XLNGHYISSA-N 2 0 258.409 2.829 20 0 CFADRP CC[N@H+](CCCN[C@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650741664 397875929 /nfs/dbraw/zinc/87/59/29/397875929.db2.gz IYDAELXQBJAOMK-NVXWUHKLSA-N 2 0 281.488 2.761 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000650742479 397876660 /nfs/dbraw/zinc/87/66/60/397876660.db2.gz YSJMGNHUUPGCTM-IFCWYPFCSA-N 2 0 270.420 2.829 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000650743696 397877339 /nfs/dbraw/zinc/87/73/39/397877339.db2.gz ZABIEQZIZIGUHI-ZDUSSCGKSA-N 2 0 262.422 2.942 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC)c(OC)c1 ZINC000650743386 397877485 /nfs/dbraw/zinc/87/74/85/397877485.db2.gz SDKFOGHAPLNCIZ-CQSZACIVSA-N 2 0 292.423 2.874 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccccc1F ZINC000650743170 397877502 /nfs/dbraw/zinc/87/75/02/397877502.db2.gz NPIDCDDOZUYACT-DOMZBBRYSA-N 2 0 268.376 2.620 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1F ZINC000650744574 397878184 /nfs/dbraw/zinc/87/81/84/397878184.db2.gz QYXMNIGMKDNZOS-LLVKDONJSA-N 2 0 266.360 2.614 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000650744348 397878283 /nfs/dbraw/zinc/87/82/83/397878283.db2.gz MDHDENKGPDHLKG-NSHDSACASA-N 2 0 279.453 2.802 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cnn1C(C)(C)C ZINC000650746651 397879602 /nfs/dbraw/zinc/87/96/02/397879602.db2.gz HPBRTUVJIHSKOU-LBPRGKRZSA-N 2 0 278.444 2.726 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000650746394 397879666 /nfs/dbraw/zinc/87/96/66/397879666.db2.gz BEVYXEOPWOYRND-HOCLYGCPSA-N 2 0 273.424 2.826 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747834 397880123 /nfs/dbraw/zinc/88/01/23/397880123.db2.gz IPCIZBJIJPUVCU-UCLAIMLFSA-N 2 0 295.430 2.571 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(F)c1 ZINC000650747330 397880157 /nfs/dbraw/zinc/88/01/57/397880157.db2.gz XMYQCBNFVUAJDM-CQSZACIVSA-N 2 0 250.361 2.995 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1CC1(C)C ZINC000650754316 397884038 /nfs/dbraw/zinc/88/40/38/397884038.db2.gz GGBGKOUQPYOFCR-GWCFXTLKSA-N 2 0 250.361 2.809 20 0 CFADRP c1cc2c(cc[nH+]c2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000663396503 413181179 /nfs/dbraw/zinc/18/11/79/413181179.db2.gz CLNJKQXCMGRBAJ-VXGBXAGGSA-N 2 0 256.353 2.602 20 0 CFADRP COC1([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)CCCC1 ZINC000421827688 292145503 /nfs/dbraw/zinc/14/55/03/292145503.db2.gz YZLBTCAQUSSGIH-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(CO)cc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000663420872 413200053 /nfs/dbraw/zinc/20/00/53/413200053.db2.gz WJPZAKORJBZLPS-KCQAQPDRSA-N 2 0 291.439 2.661 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000364918731 285963231 /nfs/dbraw/zinc/96/32/31/285963231.db2.gz WENIFSIYEJGSDB-LZWOXQAQSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422778768 286012568 /nfs/dbraw/zinc/01/25/68/286012568.db2.gz DZJDWGPWKBHEEZ-NWANDNLSSA-N 2 0 282.815 2.745 20 0 CFADRP Cc1nccnc1[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663464599 413217855 /nfs/dbraw/zinc/21/78/55/413217855.db2.gz DVYZBQBJGDMCAL-GDBMZVCRSA-N 2 0 288.439 2.558 20 0 CFADRP c1ccc2c(c1)CC([NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663467697 413223185 /nfs/dbraw/zinc/22/31/85/413223185.db2.gz HDLORTGVIBSYAM-INIZCTEOSA-N 2 0 284.447 2.865 20 0 CFADRP C(C1CCCC1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784520 413223534 /nfs/dbraw/zinc/22/35/34/413223534.db2.gz BPESJMAXDRUXNF-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]([NH3+])c1ccc(NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656785692 413223908 /nfs/dbraw/zinc/22/39/08/413223908.db2.gz IHANNEGEHFOJED-ZDUSSCGKSA-N 2 0 281.403 2.964 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467497 413224678 /nfs/dbraw/zinc/22/46/78/413224678.db2.gz GGAJVJPPBDXOOK-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656786255 413226037 /nfs/dbraw/zinc/22/60/37/413226037.db2.gz QYSGAIBDUGLHIP-QGZVFWFLSA-N 2 0 290.455 2.676 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)C)[C@H](C)C1 ZINC000159038344 286059010 /nfs/dbraw/zinc/05/90/10/286059010.db2.gz WXNQMGNJKFCNNU-OWCLPIDISA-N 2 0 270.461 2.758 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000247961874 292195369 /nfs/dbraw/zinc/19/53/69/292195369.db2.gz GIBYROAHFPGCSV-CABCVRRESA-N 2 0 296.480 2.944 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(c3ccco3)CC2)CC[NH2+]1 ZINC000656787859 413229046 /nfs/dbraw/zinc/22/90/46/413229046.db2.gz XPEMYBPVYJEDNU-KGLIPLIRSA-N 2 0 262.397 2.847 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786538 413229893 /nfs/dbraw/zinc/22/98/93/413229893.db2.gz UEPXBVLKDBASON-AWEZNQCLSA-N 2 0 294.464 2.968 20 0 CFADRP C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1nccs1 ZINC000663468254 413230057 /nfs/dbraw/zinc/23/00/57/413230057.db2.gz KZTOBSULTGOMNN-GXTWGEPZSA-N 2 0 279.453 2.916 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787285 413230107 /nfs/dbraw/zinc/23/01/07/413230107.db2.gz WJLXRLUZSCFJEL-INIZCTEOSA-N 2 0 290.455 2.676 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422767177 296615419 /nfs/dbraw/zinc/61/54/19/296615419.db2.gz YHURISGJKCNMLE-KURKYZTESA-N 2 0 287.451 2.999 20 0 CFADRP CC[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1nccn1C ZINC000663468768 413231568 /nfs/dbraw/zinc/23/15/68/413231568.db2.gz MQFISUINICLWCE-HZPDHXFCSA-N 2 0 290.455 2.583 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786978 413231101 /nfs/dbraw/zinc/23/11/01/413231101.db2.gz YUVJATAPKCRGPY-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ccc([C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775202 292202106 /nfs/dbraw/zinc/20/21/06/292202106.db2.gz ANSFONZVBVINMG-KBAYOESNSA-N 2 0 289.467 2.718 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656789538 413233671 /nfs/dbraw/zinc/23/36/71/413233671.db2.gz PTSXSUARTBQXSM-RDJZCZTQSA-N 2 0 293.499 2.891 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656789516 413234650 /nfs/dbraw/zinc/23/46/50/413234650.db2.gz PHZVOIWFOLTFKR-AWEZNQCLSA-N 2 0 276.424 2.877 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656790754 413236246 /nfs/dbraw/zinc/23/62/46/413236246.db2.gz NJCMCHZHQKINGW-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)[NH+](CCN(C)CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000356347060 155234455 /nfs/dbraw/zinc/23/44/55/155234455.db2.gz CAMLDJHYUGQNGH-KRWDZBQOSA-N 2 0 283.504 2.911 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789778 413236806 /nfs/dbraw/zinc/23/68/06/413236806.db2.gz YCCHNXTYMYLGOT-LBPRGKRZSA-N 2 0 250.361 2.618 20 0 CFADRP Cc1ccc(CCC[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)cn1 ZINC000356351753 155236730 /nfs/dbraw/zinc/23/67/30/155236730.db2.gz AMVVDQBPTMCXLI-WMLDXEAASA-N 2 0 276.424 2.806 20 0 CFADRP CCC[NH2+][C@@H](C)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200663 413237374 /nfs/dbraw/zinc/23/73/74/413237374.db2.gz LOPNZWQFIGEQQV-HNNXBMFYSA-N 2 0 297.487 2.535 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](C)C[NH+]3CCCCC3)C[C@H]2C1 ZINC000424272053 286115175 /nfs/dbraw/zinc/11/51/75/286115175.db2.gz SXLKVQNLCDAHMB-ZBRFXRBCSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000356369862 155241400 /nfs/dbraw/zinc/24/14/00/155241400.db2.gz QGSQUXGUIHKLLK-QAPCUYQASA-N 2 0 299.418 2.855 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H](C)C2 ZINC000656792203 413240748 /nfs/dbraw/zinc/24/07/48/413240748.db2.gz PQVUOSIABFJZJQ-KMFMINBZSA-N 2 0 258.409 2.960 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CCCCN2C2CC2)CCC1 ZINC000356405177 155255913 /nfs/dbraw/zinc/25/59/13/155255913.db2.gz KENAEKLKLSKLLZ-AWEZNQCLSA-N 2 0 268.470 2.879 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354512340 286151189 /nfs/dbraw/zinc/15/11/89/286151189.db2.gz NZHWMPPYHQXQDY-VGWMRTNUSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663497907 413240990 /nfs/dbraw/zinc/24/09/90/413240990.db2.gz IEDPAAVNCXXFAD-MRXNPFEDSA-N 2 0 286.423 2.848 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000341310467 286162119 /nfs/dbraw/zinc/16/21/19/286162119.db2.gz NEKUAILWWMHXDQ-ARFHVFGLSA-N 2 0 270.461 2.902 20 0 CFADRP CCOc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663499340 413244917 /nfs/dbraw/zinc/24/49/17/413244917.db2.gz YJXJLLXFPCNUQT-OAHLLOKOSA-N 2 0 250.386 2.548 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(Br)c1 ZINC000663498491 413245015 /nfs/dbraw/zinc/24/50/15/413245015.db2.gz NNWUKQTUDHRBKL-CYBMUJFWSA-N 2 0 285.229 2.912 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000663499330 413245123 /nfs/dbraw/zinc/24/51/23/413245123.db2.gz YFGYOEIGWMYVPO-GFCCVEGCSA-N 2 0 260.303 2.567 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000663498530 413245136 /nfs/dbraw/zinc/24/51/36/413245136.db2.gz PCINFHSINVKUSA-CYBMUJFWSA-N 2 0 290.436 2.668 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)C1CCCC1 ZINC000449220558 286198230 /nfs/dbraw/zinc/19/82/30/286198230.db2.gz HWLJJPRCJGLYIA-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP COCC1(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC[NH2+]CC1 ZINC000423407709 292248734 /nfs/dbraw/zinc/24/87/34/292248734.db2.gz MZZCLQWJKOLNCU-PBHICJAKSA-N 2 0 288.435 2.526 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C12CCCCC2 ZINC000422921516 286288002 /nfs/dbraw/zinc/28/80/02/286288002.db2.gz QFPVJTRNXACSSS-RRFJBIMHSA-N 2 0 268.445 2.831 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000356727615 155342376 /nfs/dbraw/zinc/34/23/76/155342376.db2.gz CNZSUNWUIUBZEP-HNNXBMFYSA-N 2 0 299.503 2.778 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356779822 155364798 /nfs/dbraw/zinc/36/47/98/155364798.db2.gz IHJIXLNPNXZEET-YGRLFVJLSA-N 2 0 286.341 2.576 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000653279843 413272856 /nfs/dbraw/zinc/27/28/56/413272856.db2.gz AKQFRFVTFBCXDS-ZFWWWQNUSA-N 2 0 298.390 2.581 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1cccc(F)c1 ZINC000653299173 413281873 /nfs/dbraw/zinc/28/18/73/413281873.db2.gz DQISKPZZZCRDFL-IUODEOHRSA-N 2 0 250.361 2.570 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[C@H](C)[NH3+] ZINC000423222283 286386346 /nfs/dbraw/zinc/38/63/46/286386346.db2.gz ALZCLPBVFPXSNE-NHYWBVRUSA-N 2 0 262.397 2.745 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C12CCCC2 ZINC000423541657 286399499 /nfs/dbraw/zinc/39/94/99/286399499.db2.gz LHADQTMAZKOVHU-JZAWBGDQSA-N 2 0 292.467 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])C12CCCC2 ZINC000422808327 286401338 /nfs/dbraw/zinc/40/13/38/286401338.db2.gz QCVQCYXZTJSLNR-QLFBSQMISA-N 2 0 268.445 2.831 20 0 CFADRP Cc1cc(NCC(C)(C)C[NH+](C)C)cc(OC(F)F)n1 ZINC001168769346 782008449 /nfs/dbraw/zinc/00/84/49/782008449.db2.gz OHOBOYPSZKNJMN-UHFFFAOYSA-N 2 0 287.354 2.991 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3ccccc32)[C@H](C)C1 ZINC000343260190 154158957 /nfs/dbraw/zinc/15/89/57/154158957.db2.gz AVDVBVVXIHOUEZ-CYBMUJFWSA-N 2 0 255.365 2.765 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)cc1OC ZINC000343264763 154161863 /nfs/dbraw/zinc/16/18/63/154161863.db2.gz BAWLHWKVWNJSAG-UKRRQHHQSA-N 2 0 292.423 2.524 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000348050199 154298581 /nfs/dbraw/zinc/29/85/81/154298581.db2.gz WJIOXIZOGADGPY-ZDUSSCGKSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348143912 154339875 /nfs/dbraw/zinc/33/98/75/154339875.db2.gz ARTVPQUEWALSMN-IAGOWNOFSA-N 2 0 281.488 2.571 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ncccc1CC ZINC000356839493 286443139 /nfs/dbraw/zinc/44/31/39/286443139.db2.gz IVKCEELZTSBYLO-GDBMZVCRSA-N 2 0 293.455 2.651 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCOCc2ccccc2)CC1 ZINC000660416845 413298989 /nfs/dbraw/zinc/29/89/89/413298989.db2.gz XOILZSGNEVMVPV-KRWDZBQOSA-N 2 0 276.424 2.619 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414827257 533676453 /nfs/dbraw/zinc/67/64/53/533676453.db2.gz KFDQBPKLDPOPQD-JTUUTPGSSA-N 2 0 258.409 2.880 20 0 CFADRP COCCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000234624133 292318525 /nfs/dbraw/zinc/31/85/25/292318525.db2.gz RGAVKIVNJYGUPB-HRCADAONSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357070167 155490170 /nfs/dbraw/zinc/49/01/70/155490170.db2.gz ACUBJJSIUJJEDC-IRXDYDNUSA-N 2 0 276.424 2.620 20 0 CFADRP COCCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694642 292322718 /nfs/dbraw/zinc/32/27/18/292322718.db2.gz KEONSVKMWMAHHO-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414856654 286491012 /nfs/dbraw/zinc/49/10/12/286491012.db2.gz YWGDEQWOFJAXGD-KKTNHOPESA-N 2 0 274.408 2.688 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCCC2 ZINC000085681072 286488422 /nfs/dbraw/zinc/48/84/22/286488422.db2.gz JJHKSQUXLYHCPB-CVSAEHQPSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000360167415 156039953 /nfs/dbraw/zinc/03/99/53/156039953.db2.gz XQBFRRAPVLJJDC-LVQVYYBASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000362803466 156089042 /nfs/dbraw/zinc/08/90/42/156089042.db2.gz UYTGVLUFXPBGQF-BDXSIMOUSA-N 2 0 292.467 2.822 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000363277922 156170158 /nfs/dbraw/zinc/17/01/58/156170158.db2.gz GRTMIBSTZCKILX-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000363569846 156183977 /nfs/dbraw/zinc/18/39/77/156183977.db2.gz WEUUQPOBSXOZQX-AWEZNQCLSA-N 2 0 265.401 2.507 20 0 CFADRP C(CC1CCOCC1)C[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@@H]2C1 ZINC000363972487 156211179 /nfs/dbraw/zinc/21/11/79/156211179.db2.gz IFIDQSSHZOJDBU-OKZBNKHCSA-N 2 0 292.467 2.609 20 0 CFADRP C[C@@H](F)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367158479 156289603 /nfs/dbraw/zinc/28/96/03/156289603.db2.gz SELLOXZWCNDQAA-HUUCEWRRSA-N 2 0 256.409 2.932 20 0 CFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000367472409 156338843 /nfs/dbraw/zinc/33/88/43/156338843.db2.gz KUDCXMPUYIHGJJ-NJAFHUGGSA-N 2 0 286.419 2.611 20 0 CFADRP C[N@H+](CCCCF)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367560423 156349254 /nfs/dbraw/zinc/34/92/54/156349254.db2.gz XAUVFJCAABGTGO-UHFFFAOYSA-N 2 0 279.403 2.980 20 0 CFADRP C[N@H+](CCCCCn1cccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367584540 156354246 /nfs/dbraw/zinc/35/42/46/156354246.db2.gz KGBIGUVYMIYUBS-SJPCQFCGSA-N 2 0 290.455 2.610 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@@H]2CCC[C@@H]21 ZINC000367598071 156358056 /nfs/dbraw/zinc/35/80/56/156358056.db2.gz UVXHKKLBHNTYNO-IHRRRGAJSA-N 2 0 279.815 2.697 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000367598297 156358399 /nfs/dbraw/zinc/35/83/99/156358399.db2.gz QJTJPVBDIGUWAS-KURKYZTESA-N 2 0 287.451 2.785 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@@H]2CCC[C@@H]21 ZINC000367607129 156359668 /nfs/dbraw/zinc/35/96/68/156359668.db2.gz MNYRXOIDYRCHFL-JQFCIGGWSA-N 2 0 294.389 2.970 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367621155 156366102 /nfs/dbraw/zinc/36/61/02/156366102.db2.gz ZTPXKYQLMJGMON-RCCFBDPRSA-N 2 0 293.499 2.571 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367621150 156367210 /nfs/dbraw/zinc/36/72/10/156367210.db2.gz ZTPXKYQLMJGMON-KSZLIROESA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414933953 289457068 /nfs/dbraw/zinc/45/70/68/289457068.db2.gz XJSMGQZUQUDPBY-OUAUKWLOSA-N 2 0 252.324 2.967 20 0 CFADRP COCCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321381 292347582 /nfs/dbraw/zinc/34/75/82/292347582.db2.gz ZYNRFDDKBJYAPO-HNNXBMFYSA-N 2 0 294.464 2.729 20 0 CFADRP C([NH2+]C1CCOCC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369700591 156610105 /nfs/dbraw/zinc/61/01/05/156610105.db2.gz BLCSGVKANKEICL-INIZCTEOSA-N 2 0 266.429 2.552 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000486926843 292350333 /nfs/dbraw/zinc/35/03/33/292350333.db2.gz PLEOFFAQBMKVBE-ZFWWWQNUSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCC1 ZINC000651187320 413339836 /nfs/dbraw/zinc/33/98/36/413339836.db2.gz LPDXFSOEXMVZLK-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256117 304858546 /nfs/dbraw/zinc/85/85/46/304858546.db2.gz DNYOBLNQSHGRKS-GOEBONIOSA-N 2 0 274.408 2.880 20 0 CFADRP COC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCCC1 ZINC000373524036 157004094 /nfs/dbraw/zinc/00/40/94/157004094.db2.gz QQZXZFPPAFQCTK-OFLPRAFFSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1cncs1)CC2)C1CC1 ZINC000374284210 157093277 /nfs/dbraw/zinc/09/32/77/157093277.db2.gz RWPAIRWYGJKSOQ-ZDUSSCGKSA-N 2 0 291.464 2.839 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCn3cc(C)nc32)CC1 ZINC000374573305 157132087 /nfs/dbraw/zinc/13/20/87/157132087.db2.gz BLVZZYXZUVQMBU-OAHLLOKOSA-N 2 0 290.455 2.533 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000375064823 157192055 /nfs/dbraw/zinc/19/20/55/157192055.db2.gz ZLRYDXDMUAKEGS-JKQORVJESA-N 2 0 292.471 2.827 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000375095617 157194651 /nfs/dbraw/zinc/19/46/51/157194651.db2.gz ZCCVZKWDMJRFKZ-ZMUQKWFASA-N 2 0 294.483 2.948 20 0 CFADRP C[N@H+](CCCCCF)C1CC[NH+](C2CCOCC2)CC1 ZINC000375391330 157236802 /nfs/dbraw/zinc/23/68/02/157236802.db2.gz VEGKDICSUGUYFU-UHFFFAOYSA-N 2 0 286.435 2.701 20 0 CFADRP CC(C)Cn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000375508067 157252733 /nfs/dbraw/zinc/25/27/33/157252733.db2.gz RBOOQPFTNPFWGP-UHFFFAOYSA-N 2 0 290.455 2.599 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCCC2CCOCC2)CC1 ZINC000375622754 157262339 /nfs/dbraw/zinc/26/23/39/157262339.db2.gz CGIQZDCENATWCZ-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C([C@H]1CCSC1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000375757866 157281503 /nfs/dbraw/zinc/28/15/03/157281503.db2.gz LKCMDSFQLYLKEE-CYBMUJFWSA-N 2 0 268.470 2.736 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000657231788 413350344 /nfs/dbraw/zinc/35/03/44/413350344.db2.gz MYLNQJCEGIEFQF-KBMXLJTQSA-N 2 0 250.430 2.885 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651228235 413359845 /nfs/dbraw/zinc/35/98/45/413359845.db2.gz CKMSVDXKCLJAKG-CABCVRRESA-N 2 0 281.488 2.569 20 0 CFADRP CSCC1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423537107 286661485 /nfs/dbraw/zinc/66/14/85/286661485.db2.gz JBVPWXOIUVCDKQ-UHFFFAOYSA-N 2 0 268.470 2.808 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)CN(C)CC ZINC000653559771 413368492 /nfs/dbraw/zinc/36/84/92/413368492.db2.gz SRRLSHDRMCQPOC-MSOLQXFVSA-N 2 0 292.467 2.561 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)CO1 ZINC000657284267 413397192 /nfs/dbraw/zinc/39/71/92/413397192.db2.gz MMEZZYZJGNVCPR-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CCC12CCOCC2)[NH+]1CCCCC1 ZINC000376739665 286811570 /nfs/dbraw/zinc/81/15/70/286811570.db2.gz KSMWWWWXDIJFNN-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP c1ncn2c1C[N@H+](C[C@H]1CCc3ccccc3C1)CC2 ZINC000660581298 413411673 /nfs/dbraw/zinc/41/16/73/413411673.db2.gz AFXMPEPGVYPDBZ-AWEZNQCLSA-N 2 0 267.376 2.504 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CCn2cncc2C1 ZINC000660581805 413412256 /nfs/dbraw/zinc/41/22/56/413412256.db2.gz JXHHGPJJFANVLY-UHFFFAOYSA-N 2 0 255.365 2.504 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)C[NH+](C)C ZINC000310179029 298383961 /nfs/dbraw/zinc/38/39/61/298383961.db2.gz VVYFMSKWNZIQIU-WDEREUQCSA-N 2 0 254.340 2.895 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000422950084 298400116 /nfs/dbraw/zinc/40/01/16/298400116.db2.gz VDXHOHTWZDIQOA-RISCZKNCSA-N 2 0 266.360 2.756 20 0 CFADRP Cc1c[nH]c(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000657313461 413431088 /nfs/dbraw/zinc/43/10/88/413431088.db2.gz RKEKFOVKXRLVDT-ZIAGYGMSSA-N 2 0 278.444 2.566 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663903971 413431901 /nfs/dbraw/zinc/43/19/01/413431901.db2.gz AXBLESKLGGOXSS-QWHCGFSZSA-N 2 0 270.380 2.626 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000340473817 161596463 /nfs/dbraw/zinc/59/64/63/161596463.db2.gz QIORXRQXKWHVLQ-OAHLLOKOSA-N 2 0 298.434 2.973 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000660617290 413436207 /nfs/dbraw/zinc/43/62/07/413436207.db2.gz WRHMKQGKOLDWON-JSGCOSHPSA-N 2 0 260.372 2.695 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000343538351 161796273 /nfs/dbraw/zinc/79/62/73/161796273.db2.gz UYLLZAVTNVALJC-KDOFPFPSSA-N 2 0 288.435 2.529 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)C1 ZINC000344710577 162105569 /nfs/dbraw/zinc/10/55/69/162105569.db2.gz FYVCQCSHVXAFJY-WOSRLPQWSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344750916 162114383 /nfs/dbraw/zinc/11/43/83/162114383.db2.gz OMZGEDVUZDQDBJ-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000344975213 162155740 /nfs/dbraw/zinc/15/57/40/162155740.db2.gz PXMWVNVRIJFFAB-CABCVRRESA-N 2 0 264.438 2.732 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000346187195 162346452 /nfs/dbraw/zinc/34/64/52/162346452.db2.gz LIGRDVYZFXWHBK-NVXWUHKLSA-N 2 0 285.435 2.961 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000346274482 162367946 /nfs/dbraw/zinc/36/79/46/162367946.db2.gz GLCKNJSHUXNQND-CABCVRRESA-N 2 0 289.423 2.513 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346849274 162536475 /nfs/dbraw/zinc/53/64/75/162536475.db2.gz SAMHFRSSIDQQIB-BZZMCLGOSA-N 2 0 272.436 2.924 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000349692268 163003981 /nfs/dbraw/zinc/00/39/81/163003981.db2.gz JZWDWSJSINXGHU-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000349724127 163008499 /nfs/dbraw/zinc/00/84/99/163008499.db2.gz UGBAESIGFKICLP-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CCC(OC)CC2)[C@@H](C)C1 ZINC000349724446 163009008 /nfs/dbraw/zinc/00/90/08/163009008.db2.gz UJOVRVLQLDUDOS-ZGRYLRDCSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cccc2ncc(CN3CC[NH+](C4CCCC4)CC3)n21 ZINC000349799557 163018318 /nfs/dbraw/zinc/01/83/18/163018318.db2.gz JVINJMRBABGOAQ-UHFFFAOYSA-N 2 0 298.434 2.703 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc2ccccc2o1 ZINC000350258196 163067333 /nfs/dbraw/zinc/06/73/33/163067333.db2.gz BSXLBZMSMHHDHE-UHFFFAOYSA-N 2 0 290.407 2.881 20 0 CFADRP Cc1[nH+]ccc(NC[C@H](CC(C)C)[NH+](C)C)c1Cl ZINC000350291645 163069375 /nfs/dbraw/zinc/06/93/75/163069375.db2.gz WDNISLLWAYWIOR-LBPRGKRZSA-N 2 0 269.820 2.854 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C)s1 ZINC000350268302 163069702 /nfs/dbraw/zinc/06/97/02/163069702.db2.gz PNXVURLROFVYER-UHFFFAOYSA-N 2 0 270.442 2.505 20 0 CFADRP CC[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000351220105 163121738 /nfs/dbraw/zinc/12/17/38/163121738.db2.gz DECVDJVNKLJDLQ-KGLIPLIRSA-N 2 0 256.459 2.688 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000351500161 163134976 /nfs/dbraw/zinc/13/49/76/163134976.db2.gz WSQCFFDOSIKSRN-RBGFHDKUSA-N 2 0 250.430 2.872 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCOC(C)(C)C1 ZINC000351925532 163216506 /nfs/dbraw/zinc/21/65/06/163216506.db2.gz LIHRMWDLDGXCJF-CABCVRRESA-N 2 0 268.445 2.750 20 0 CFADRP CN(C)c1ccccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000353420360 163360864 /nfs/dbraw/zinc/36/08/64/163360864.db2.gz QOEXJUDHOSRQQD-UHFFFAOYSA-N 2 0 275.440 2.526 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000353439912 163366092 /nfs/dbraw/zinc/36/60/92/163366092.db2.gz XNESHFSTLBCGKR-UHFFFAOYSA-N 2 0 268.351 2.927 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCC[C@@H](C)C1 ZINC000353458362 163370056 /nfs/dbraw/zinc/37/00/56/163370056.db2.gz CDJAKHAMHCIPNB-ZKXLYKBJSA-N 2 0 293.499 2.569 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000353481463 163374769 /nfs/dbraw/zinc/37/47/69/163374769.db2.gz CYTCZOFQKFECDP-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353498623 163378243 /nfs/dbraw/zinc/37/82/43/163378243.db2.gz ARFDFTQCWVRMLY-KURKYZTESA-N 2 0 287.451 2.715 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000353517076 163382192 /nfs/dbraw/zinc/38/21/92/163382192.db2.gz HSMNMRMKRZPBGH-KKUMJFAQSA-N 2 0 296.455 2.571 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(C)(C)C ZINC000353521761 163383868 /nfs/dbraw/zinc/38/38/68/163383868.db2.gz SLUUCZUNPQTGQE-APIJFGDWSA-N 2 0 268.445 2.510 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(C)(C)C ZINC000353521763 163385076 /nfs/dbraw/zinc/38/50/76/163385076.db2.gz SLUUCZUNPQTGQE-GBJTYRQASA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccoc1 ZINC000353530896 163386344 /nfs/dbraw/zinc/38/63/44/163386344.db2.gz NHQPZCYCILLNIB-MRXNPFEDSA-N 2 0 294.439 2.803 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000353542327 163388863 /nfs/dbraw/zinc/38/88/63/163388863.db2.gz WALFGRLKHVWURC-GDBMZVCRSA-N 2 0 287.451 2.740 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000353552480 163392747 /nfs/dbraw/zinc/39/27/47/163392747.db2.gz YJQXKTFVOVDTQG-CABCVRRESA-N 2 0 275.440 2.597 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353552481 163393513 /nfs/dbraw/zinc/39/35/13/163393513.db2.gz YJQXKTFVOVDTQG-GJZGRUSLSA-N 2 0 275.440 2.597 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC000660641553 413458228 /nfs/dbraw/zinc/45/82/28/413458228.db2.gz HKDNVEOYNRIBIR-TWMKSMIVSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000422963472 287012060 /nfs/dbraw/zinc/01/20/60/287012060.db2.gz FXUGKZJFHBMKEY-AQEOSJORSA-N 3 0 293.499 2.760 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422963474 287012128 /nfs/dbraw/zinc/01/21/28/287012128.db2.gz FXUGKZJFHBMKEY-CPFNUKBASA-N 3 0 293.499 2.760 20 0 CFADRP C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000335008177 287012681 /nfs/dbraw/zinc/01/26/81/287012681.db2.gz HQKVRHFLLMHEOF-ZBFHGGJFSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000162906504 287040709 /nfs/dbraw/zinc/04/07/09/287040709.db2.gz WHSAPZWXLMKCBO-QAPCUYQASA-N 2 0 288.435 2.797 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163414774 287144086 /nfs/dbraw/zinc/14/40/86/287144086.db2.gz IADHGNVNFQOKAA-DYEKYZERSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370656242 287220044 /nfs/dbraw/zinc/22/00/44/287220044.db2.gz BVXKNEGZJJSOLO-BFYDXBDKSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438851 287220242 /nfs/dbraw/zinc/22/02/42/287220242.db2.gz NOOPNWSAQOLIRL-FAAHXZRKSA-N 2 0 250.430 2.789 20 0 CFADRP CCC[NH+]1CCC(NCCC[NH+]2CCC(C)CC2)CC1 ZINC000020146239 171032469 /nfs/dbraw/zinc/03/24/69/171032469.db2.gz JFPKZSOHQKUKQG-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCOCC(C)C)CC1 ZINC000020147175 171033591 /nfs/dbraw/zinc/03/35/91/171033591.db2.gz QGXRLEJYCJDRSM-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000020248124 171100849 /nfs/dbraw/zinc/10/08/49/171100849.db2.gz PRORKYQNSIKVHQ-UHFFFAOYSA-N 2 0 271.408 2.912 20 0 CFADRP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000020523849 171236883 /nfs/dbraw/zinc/23/68/83/171236883.db2.gz VCWCMRMGIHKKEG-ZNXRZULTSA-N 2 0 287.451 2.728 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660662032 413476358 /nfs/dbraw/zinc/47/63/58/413476358.db2.gz QQXFXXKHLYASRU-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](c1ccccn1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659303 413478379 /nfs/dbraw/zinc/47/83/79/413478379.db2.gz MZELDRKYVSMSOM-GDBMZVCRSA-N 2 0 259.397 2.560 20 0 CFADRP C[C@H](c1cccnc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659120 413478558 /nfs/dbraw/zinc/47/85/58/413478558.db2.gz NIEMMOQGSUDWQE-ZBFHGGJFSA-N 2 0 259.397 2.560 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000657349378 413482367 /nfs/dbraw/zinc/48/23/67/413482367.db2.gz RWDPGQNILVMKOC-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C2CCC2)CC1)N1CC[NH+](C)CC1 ZINC000657350074 413483702 /nfs/dbraw/zinc/48/37/02/413483702.db2.gz ZSWBDIGPUWXVEO-ZLPCBKJTSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657354897 413485684 /nfs/dbraw/zinc/48/56/84/413485684.db2.gz XWUURLGRJBVGBH-FAEJEUNOSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657355083 413486205 /nfs/dbraw/zinc/48/62/05/413486205.db2.gz AYGMHXGBKMTSPO-ZDUSSCGKSA-N 2 0 292.398 2.798 20 0 CFADRP Cc1c[nH]c(CNC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000657357775 413490189 /nfs/dbraw/zinc/49/01/89/413490189.db2.gz DAHJVPVGWJQZNS-INIZCTEOSA-N 2 0 290.455 2.852 20 0 CFADRP COCC[C@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679685 413493969 /nfs/dbraw/zinc/49/39/69/413493969.db2.gz SCRJWGMIGUYBJR-HNNXBMFYSA-N 2 0 276.424 2.666 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660694654 413500534 /nfs/dbraw/zinc/50/05/34/413500534.db2.gz GYJFDMLOKUEVSS-UHFFFAOYSA-N 2 0 284.488 2.885 20 0 CFADRP Cc1nc(C(C)(C)NCc2cnc3n2CCC3)sc1C ZINC000657368321 413510710 /nfs/dbraw/zinc/51/07/10/413510710.db2.gz OFBMUYIZEXPHMU-UHFFFAOYSA-N 2 0 290.436 2.928 20 0 CFADRP CCC(C)(C)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000664078272 413556719 /nfs/dbraw/zinc/55/67/19/413556719.db2.gz ZRHDGAURNXAGDA-UHFFFAOYSA-N 2 0 272.396 2.874 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674352 413562264 /nfs/dbraw/zinc/56/22/64/413562264.db2.gz LSNOTGRWYCVUBF-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651676547 413562487 /nfs/dbraw/zinc/56/24/87/413562487.db2.gz DMOSDLUCSYKMHV-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651676518 413559991 /nfs/dbraw/zinc/55/99/91/413559991.db2.gz CNALXBXZIIEBNK-ROUUACIJSA-N 2 0 295.515 2.963 20 0 CFADRP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000651680829 413565242 /nfs/dbraw/zinc/56/52/42/413565242.db2.gz SLEFGZANVSPYEH-IAGOWNOFSA-N 2 0 258.409 2.965 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000651706034 413582149 /nfs/dbraw/zinc/58/21/49/413582149.db2.gz PWQVCCCDGZPFCS-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](COC)CC(C)(C)C)CC1 ZINC000651705222 413582401 /nfs/dbraw/zinc/58/24/01/413582401.db2.gz LUOQJNRZIPLZPE-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP Cn1ncc(C2CC2)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657413854 413574459 /nfs/dbraw/zinc/57/44/59/413574459.db2.gz FYHHRGNIJKIDBM-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CCCSC2)n(-c2cc[nH+]cc2)n1 ZINC000657467437 413641887 /nfs/dbraw/zinc/64/18/87/413641887.db2.gz MAZPPMDKQOMCGC-ZDUSSCGKSA-N 2 0 288.420 2.500 20 0 CFADRP Cc1ccccc1C1(NC[C@H](O)C[N@@H+](C)C(C)C)CCC1 ZINC000660910688 413647337 /nfs/dbraw/zinc/64/73/37/413647337.db2.gz NJHXEHBQVULYPH-INIZCTEOSA-N 2 0 290.451 2.665 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@]2(C)CC)CC1 ZINC000651750353 413615335 /nfs/dbraw/zinc/61/53/35/413615335.db2.gz FCFAFVPMIKYCPU-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C[C@H]2C1 ZINC000651864777 413685070 /nfs/dbraw/zinc/68/50/70/413685070.db2.gz DJMBGCBXJYENTL-GANOOXTDSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657534734 413717083 /nfs/dbraw/zinc/71/70/83/413717083.db2.gz CVDZLSLCEDZVRL-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657574175 413763221 /nfs/dbraw/zinc/76/32/21/413763221.db2.gz FMTQLELDIVYVKK-LSDHHAIUSA-N 2 0 282.472 2.780 20 0 CFADRP c1ccc(O[C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657647592 413818611 /nfs/dbraw/zinc/81/86/11/413818611.db2.gz MINWRBWUTILVFZ-OVWQWFNUSA-N 2 0 286.419 2.813 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150502 413831128 /nfs/dbraw/zinc/83/11/28/413831128.db2.gz YJTONOXWAHDLNE-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150051 413831435 /nfs/dbraw/zinc/83/14/35/413831435.db2.gz KJOJHTVDCWDXHS-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP COc1cccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652355783 413905437 /nfs/dbraw/zinc/90/54/37/413905437.db2.gz HTQCSZZAKZKRRR-RHSMWYFYSA-N 2 0 292.423 2.523 20 0 CFADRP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652355176 413906433 /nfs/dbraw/zinc/90/64/33/413906433.db2.gz QQYIKZXPPLQLMC-CXAGYDPISA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652355589 413907760 /nfs/dbraw/zinc/90/77/60/413907760.db2.gz AQINDYMSDZYCMZ-DOTOQJQBSA-N 2 0 275.440 2.572 20 0 CFADRP FC1(F)C[C@@]12CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000652364457 413910255 /nfs/dbraw/zinc/91/02/55/413910255.db2.gz QEKSRCYNOCXZRH-OAHLLOKOSA-N 2 0 278.346 2.563 20 0 CFADRP Cc1ncsc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812875 413960625 /nfs/dbraw/zinc/96/06/25/413960625.db2.gz JMKGLOIEYRUIPW-UHFFFAOYSA-N 2 0 279.453 2.663 20 0 CFADRP c1cn2c(cccc2C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000657812855 413961732 /nfs/dbraw/zinc/96/17/32/413961732.db2.gz HZJIPDQXWCSPEW-UHFFFAOYSA-N 2 0 298.434 2.546 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813851 413962385 /nfs/dbraw/zinc/96/23/85/413962385.db2.gz BUXXEDVMFSALCX-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cnccc2o1 ZINC000657834522 413986182 /nfs/dbraw/zinc/98/61/82/413986182.db2.gz KUKVSCPBYBWBOQ-CHWSQXEVSA-N 2 0 285.391 2.963 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657838864 413990151 /nfs/dbraw/zinc/99/01/51/413990151.db2.gz ZSAZCNHPCWPKDW-CVEARBPZSA-N 2 0 290.455 2.820 20 0 CFADRP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000285641329 196352178 /nfs/dbraw/zinc/35/21/78/196352178.db2.gz RSLPBDGCURUZOZ-GOSISDBHSA-N 2 0 270.420 2.994 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)C(C)(C)C)C1 ZINC000336847535 287275229 /nfs/dbraw/zinc/27/52/29/287275229.db2.gz WSDFNOXIKYRYCQ-IXDOHACOSA-N 2 0 296.499 2.980 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657903883 414043860 /nfs/dbraw/zinc/04/38/60/414043860.db2.gz YXNNSKLUUPNYIT-FZKCQIBNSA-N 2 0 282.472 2.758 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000037210969 173032928 /nfs/dbraw/zinc/03/29/28/173032928.db2.gz DPZAZNUAWIDHAV-OAHLLOKOSA-N 2 0 278.440 2.948 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000037213726 173034504 /nfs/dbraw/zinc/03/45/04/173034504.db2.gz QDXREVNFXACSDR-HNNXBMFYSA-N 2 0 262.397 2.614 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000285683115 196365453 /nfs/dbraw/zinc/36/54/53/196365453.db2.gz NZSQFXYMQJPMDR-UHFFFAOYSA-N 2 0 290.451 2.920 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1 ZINC000661578228 414062590 /nfs/dbraw/zinc/06/25/90/414062590.db2.gz JXPJQASJFAQTSR-DLBZAZTESA-N 2 0 282.472 2.590 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037408287 173184614 /nfs/dbraw/zinc/18/46/14/173184614.db2.gz HPSTUGXNMXOGIV-MRXNPFEDSA-N 2 0 258.409 2.877 20 0 CFADRP CC(C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000037500926 173238314 /nfs/dbraw/zinc/23/83/14/173238314.db2.gz WSQLCGYCVKZMIU-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[C@@H](CC[NH2+]C1CC(CF)(CF)C1)[NH+]1CCCCC1 ZINC000657972405 414080005 /nfs/dbraw/zinc/08/00/05/414080005.db2.gz GKXPTFXSVMJDMN-ZDUSSCGKSA-N 2 0 274.399 2.928 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000658062513 414146370 /nfs/dbraw/zinc/14/63/70/414146370.db2.gz FXKNIJASSOLPEK-KBPBESRZSA-N 2 0 261.413 2.505 20 0 CFADRP C[C@H](CC1CC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066608 414149998 /nfs/dbraw/zinc/14/99/98/414149998.db2.gz CLOHJGODINUXPJ-CQSZACIVSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC[NH+](C2CCOCC2)CC1 ZINC000658071778 414154238 /nfs/dbraw/zinc/15/42/38/414154238.db2.gz ZCDNYHLUOJYEHT-JQHSSLGASA-N 2 0 292.467 2.656 20 0 CFADRP CCOC1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000658033759 414120230 /nfs/dbraw/zinc/12/02/30/414120230.db2.gz AFOPFNPQNAGRPQ-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000658036478 414123673 /nfs/dbraw/zinc/12/36/73/414123673.db2.gz CQVRDJTXJXVQCV-UHFFFAOYSA-N 2 0 260.372 2.537 20 0 CFADRP Cc1ccncc1CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000658126898 414220428 /nfs/dbraw/zinc/22/04/28/414220428.db2.gz QPYFJCIRBJIMLO-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP C[C@H]([NH2+]CCc1cn(C)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000665265056 414221492 /nfs/dbraw/zinc/22/14/92/414221492.db2.gz OKWBHUZKFQHQJE-YOEHRIQHSA-N 2 0 285.435 2.841 20 0 CFADRP CC[C@@H]([NH2+]CCc1cn(C)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665264729 414221585 /nfs/dbraw/zinc/22/15/85/414221585.db2.gz GZPDDQSDZRYQBG-SJORKVTESA-N 2 0 285.435 2.841 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000665266881 414225996 /nfs/dbraw/zinc/22/59/96/414225996.db2.gz LFVUHWFADDEAHZ-GPANFISMSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267454 414227946 /nfs/dbraw/zinc/22/79/46/414227946.db2.gz WWMXXIGSLFLBBK-ZOBUZTSGSA-N 2 0 279.472 2.501 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137532 414228431 /nfs/dbraw/zinc/22/84/31/414228431.db2.gz JTXIZAIOCBUEHZ-IAGOWNOFSA-N 2 0 288.435 2.531 20 0 CFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000665274598 414230146 /nfs/dbraw/zinc/23/01/46/414230146.db2.gz UHDFJRYJMAXAEP-YYWYGQEZSA-N 2 0 270.420 2.910 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665272993 414230915 /nfs/dbraw/zinc/23/09/15/414230915.db2.gz OOBHEFNORBYWFB-HRCADAONSA-N 2 0 259.397 2.506 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000665272995 414232305 /nfs/dbraw/zinc/23/23/05/414232305.db2.gz OOBHEFNORBYWFB-OWCLPIDISA-N 2 0 259.397 2.506 20 0 CFADRP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C1CCCC1 ZINC000665275298 414233976 /nfs/dbraw/zinc/23/39/76/414233976.db2.gz GUMQTLDTVUNSMJ-FHLIZLRMSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658088831 414180476 /nfs/dbraw/zinc/18/04/76/414180476.db2.gz WCCSEJXOZZXOPM-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)C3CCC3)CC2)C1 ZINC000658088238 414181157 /nfs/dbraw/zinc/18/11/57/414181157.db2.gz PYWXMZUYNPSDOQ-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665236771 414193069 /nfs/dbraw/zinc/19/30/69/414193069.db2.gz TYTXGZQKWHIBFH-WFASDCNBSA-N 2 0 291.439 2.705 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccnc2c1 ZINC000665238859 414196961 /nfs/dbraw/zinc/19/69/61/414196961.db2.gz GCAIBGTWWUXOOU-IXDOHACOSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000658098725 414199460 /nfs/dbraw/zinc/19/94/60/414199460.db2.gz WDUOBRVUABIGRB-SZMVWBNQSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000665243880 414199838 /nfs/dbraw/zinc/19/98/38/414199838.db2.gz AOGQXMJBCZSMEI-HEAFNYJSSA-N 2 0 258.409 2.822 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)C1(C)C ZINC000665247511 414206799 /nfs/dbraw/zinc/20/67/99/414206799.db2.gz DIAQCRZPPVRLEM-KBPBESRZSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106782 414206824 /nfs/dbraw/zinc/20/68/24/414206824.db2.gz CGNVSJBIYVQVNJ-GJZGRUSLSA-N 2 0 297.512 2.541 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000665246061 414206831 /nfs/dbraw/zinc/20/68/31/414206831.db2.gz YAHQOLOZQOYYBX-IXDOHACOSA-N 2 0 258.409 2.781 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCCC1 ZINC000665246263 414206976 /nfs/dbraw/zinc/20/69/76/414206976.db2.gz AJTKMOIATBPQBV-HOCLYGCPSA-N 2 0 273.424 2.969 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC1([NH3+])CCCC1 ZINC000665249369 414209567 /nfs/dbraw/zinc/20/95/67/414209567.db2.gz OXANXNOZBKVOQU-GFCCVEGCSA-N 2 0 252.427 2.930 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665261593 414217373 /nfs/dbraw/zinc/21/73/73/414217373.db2.gz HHXSPGCHZKBNEF-SDDRHHMPSA-N 2 0 284.350 2.592 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665262901 414218820 /nfs/dbraw/zinc/21/88/20/414218820.db2.gz BGSDVLWMYBAVOR-ITWBUVANSA-N 2 0 272.436 2.971 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2c1 ZINC000665261912 414218917 /nfs/dbraw/zinc/21/89/17/414218917.db2.gz OEAJWGOVLPEZOE-UHOFOFEASA-N 2 0 288.391 2.583 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000665280633 414242099 /nfs/dbraw/zinc/24/20/99/414242099.db2.gz HXFRNJGCCWBXCP-SMDDNHRTSA-N 2 0 268.376 2.858 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CC2 ZINC000665280640 414242351 /nfs/dbraw/zinc/24/23/51/414242351.db2.gz IAGJNUQYYDTDHJ-HZPDHXFCSA-N 2 0 262.397 2.646 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1(CO)CC1 ZINC000658161445 414244407 /nfs/dbraw/zinc/24/44/07/414244407.db2.gz SZZQJMVUUHGPKR-BFYDXBDKSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279863 414244917 /nfs/dbraw/zinc/24/49/17/414244917.db2.gz NUSMFLLPXKPZRQ-JWMHWRSXSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1(CO)CC1 ZINC000658161448 414245445 /nfs/dbraw/zinc/24/54/45/414245445.db2.gz SZZQJMVUUHGPKR-VYDXJSESSA-N 2 0 294.483 2.780 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665280328 414245391 /nfs/dbraw/zinc/24/53/91/414245391.db2.gz YSECDTZKLNDFAH-GOEBONIOSA-N 2 0 291.439 2.675 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CCC2 ZINC000665280471 414245647 /nfs/dbraw/zinc/24/56/47/414245647.db2.gz CBMRCLWLLZPTKL-VXGBXAGGSA-N 2 0 267.442 2.792 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000665282119 414248760 /nfs/dbraw/zinc/24/87/60/414248760.db2.gz RDNUWVFNYDZESC-KLHDSHLOSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ccco1 ZINC000665282831 414248925 /nfs/dbraw/zinc/24/89/25/414248925.db2.gz CNZVSHCENFZDQH-RHSMWYFYSA-N 2 0 272.392 2.760 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000665283092 414249510 /nfs/dbraw/zinc/24/95/10/414249510.db2.gz HLXORHCUMPOMRX-RYUDHWBXSA-N 2 0 288.313 2.787 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000665281575 414249524 /nfs/dbraw/zinc/24/95/24/414249524.db2.gz GZDQXSWIDPIYEQ-RBSFLKMASA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000665281628 414249986 /nfs/dbraw/zinc/24/99/86/414249986.db2.gz IBJBKSPDQQFONV-CVEARBPZSA-N 2 0 262.397 2.733 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282068 414250160 /nfs/dbraw/zinc/25/01/60/414250160.db2.gz QACFOYMQBJKUFV-HUUCEWRRSA-N 2 0 280.387 2.785 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283638 414253301 /nfs/dbraw/zinc/25/33/01/414253301.db2.gz RMAJTYWQCJZZBS-NRSFXHEJSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000665300111 414272674 /nfs/dbraw/zinc/27/26/74/414272674.db2.gz YMILJPCJQPQGAX-KFKAGJAMSA-N 2 0 299.462 2.843 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000658205010 414277709 /nfs/dbraw/zinc/27/77/09/414277709.db2.gz DGSASENQDQYMJP-YCPHGPKFSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@]1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1(F)F ZINC000658219068 414291311 /nfs/dbraw/zinc/29/13/11/414291311.db2.gz HLNYRNIFKHMKPB-CQSZACIVSA-N 2 0 272.383 2.886 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658227466 414300950 /nfs/dbraw/zinc/30/09/50/414300950.db2.gz XMDQJOPHRVNXKI-KRWDZBQOSA-N 2 0 293.499 2.856 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)[C@H](C)C1 ZINC000658285771 414344965 /nfs/dbraw/zinc/34/49/65/414344965.db2.gz YEAUTUKQLZWGHY-WOPDTQHZSA-N 2 0 260.372 2.598 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658312721 414367644 /nfs/dbraw/zinc/36/76/44/414367644.db2.gz ALUXFLAFWUDRIQ-XJKSGUPXSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCC2)[C@H](C)C1 ZINC000658315138 414369847 /nfs/dbraw/zinc/36/98/47/414369847.db2.gz MCTRXOCBOORGGQ-VNQPRFMTSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@H](C)SC1)C[NH+]1CCCC1 ZINC000655694262 414369900 /nfs/dbraw/zinc/36/99/00/414369900.db2.gz FVPWCSGPNMUEHE-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000658315176 414370374 /nfs/dbraw/zinc/37/03/74/414370374.db2.gz MLYCXSMWGSQBOF-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@H]2CCC[C@@H]21 ZINC000658324713 414376764 /nfs/dbraw/zinc/37/67/64/414376764.db2.gz CGWIDAJHUUFLKE-PMPSAXMXSA-N 2 0 262.397 2.675 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CCO1 ZINC000424369387 287281816 /nfs/dbraw/zinc/28/18/16/287281816.db2.gz BKCKXMZOBRFRMH-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655716745 414386176 /nfs/dbraw/zinc/38/61/76/414386176.db2.gz MXUZGQVQGYBGSU-QLFBSQMISA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655716940 414387249 /nfs/dbraw/zinc/38/72/49/414387249.db2.gz QLZAIEOUIVENLV-TZMCWYRMSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655722096 414393181 /nfs/dbraw/zinc/39/31/81/414393181.db2.gz WSUBSNCMRNAWIL-HZSPNIEDSA-N 2 0 256.459 2.590 20 0 CFADRP C(CC[NH+]1CC[C@@H]2C[C@@H]2C1)CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972416 414321042 /nfs/dbraw/zinc/32/10/42/414321042.db2.gz QFBIHJKXGCHLLI-QBPKDAKJSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000662243242 414472381 /nfs/dbraw/zinc/47/23/81/414472381.db2.gz HBUQZISMISKVMY-UNEWFSDZSA-N 2 0 258.409 2.776 20 0 CFADRP CC1(C)CCCC[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662149719 414433614 /nfs/dbraw/zinc/43/36/14/414433614.db2.gz QACAHIXVCPTHQM-WBVHZDCISA-N 2 0 294.483 2.734 20 0 CFADRP CCCCC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000662157150 414433767 /nfs/dbraw/zinc/43/37/67/414433767.db2.gz TZIIBYUURDNNSF-HZPDHXFCSA-N 2 0 270.461 2.734 20 0 CFADRP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000655788719 414436367 /nfs/dbraw/zinc/43/63/67/414436367.db2.gz NGPZGRCUOKPAHZ-IAOVAPTHSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000655839565 414473032 /nfs/dbraw/zinc/47/30/32/414473032.db2.gz SZOORGGRLXDDPF-TUVASFSCSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000655804855 414448528 /nfs/dbraw/zinc/44/85/28/414448528.db2.gz DLLLETNAYQXYCJ-IMJJTQAJSA-N 2 0 261.413 2.709 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803990 414448951 /nfs/dbraw/zinc/44/89/51/414448951.db2.gz LLVSRFDCQXGHQJ-UTUOFQBUSA-N 2 0 268.426 2.748 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(CC)CC ZINC000655805420 414450930 /nfs/dbraw/zinc/45/09/30/414450930.db2.gz NLZYHWSBXKJWTB-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806854 414451130 /nfs/dbraw/zinc/45/11/30/414451130.db2.gz CNRHIZAIHASYJH-OIISXLGYSA-N 2 0 260.425 2.938 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)n1 ZINC000655805218 414451218 /nfs/dbraw/zinc/45/12/18/414451218.db2.gz LBHSNBAEHRYQNH-YUELXQCFSA-N 2 0 261.413 2.689 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1C(C)(C)C1(C)C ZINC000655806143 414451568 /nfs/dbraw/zinc/45/15/68/414451568.db2.gz ZWRZNLCOFKGAQX-UPJWGTAASA-N 2 0 252.446 2.987 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000655805646 414451622 /nfs/dbraw/zinc/45/16/22/414451622.db2.gz JSEVBPATUUFRCE-MIGQKNRLSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000655806804 414451639 /nfs/dbraw/zinc/45/16/39/414451639.db2.gz BSBAXTIAPDDCRD-RKVPGOIHSA-N 2 0 298.434 2.863 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000655812288 414454928 /nfs/dbraw/zinc/45/49/28/414454928.db2.gz OCNMTERQBHOVSM-BRWVUGGUSA-N 2 0 288.435 2.966 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ncc(C)cc2C)[C@@H](C)C1 ZINC000655812122 414456749 /nfs/dbraw/zinc/45/67/49/414456749.db2.gz ZSHLWSVOWPVFDQ-RDJZCZTQSA-N 2 0 275.440 2.561 20 0 CFADRP CC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](CC)CC ZINC000665854976 414461585 /nfs/dbraw/zinc/46/15/85/414461585.db2.gz DWQBGHPGAVWEJC-CQSZACIVSA-N 2 0 297.487 2.532 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000655826801 414462758 /nfs/dbraw/zinc/46/27/58/414462758.db2.gz ZEQVDEAWHVNHEU-XBXGTLAGSA-N 2 0 297.240 2.879 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1 ZINC000655827030 414464164 /nfs/dbraw/zinc/46/41/64/414464164.db2.gz NRFZILDAOKKNGB-KLPPZKSPSA-N 2 0 270.779 2.909 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000655827327 414464487 /nfs/dbraw/zinc/46/44/87/414464487.db2.gz SEKCSMKKWUWLCL-WOVMCDHWSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1[NH3+] ZINC000662242511 414471347 /nfs/dbraw/zinc/47/13/47/414471347.db2.gz ALIXXZYGBSSWMI-DGCLKSJQSA-N 2 0 275.421 2.508 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352057 414398612 /nfs/dbraw/zinc/39/86/12/414398612.db2.gz CKNHLGUARKDKIG-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nccn1C ZINC000658356070 414401540 /nfs/dbraw/zinc/40/15/40/414401540.db2.gz MOJFFSFOOUIYAO-MRXNPFEDSA-N 2 0 290.455 2.583 20 0 CFADRP c1ccc2c(c1)CC([NH2+]CC1CC[NH+](CC3CC3)CC1)C2 ZINC000658358318 414402794 /nfs/dbraw/zinc/40/27/94/414402794.db2.gz SUHGVATXDCOCAA-UHFFFAOYSA-N 2 0 284.447 2.865 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc(OC)c2Cl)CC1 ZINC000662245282 414474281 /nfs/dbraw/zinc/47/42/81/414474281.db2.gz JUJJLVBJFBXIFQ-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C1CCCCC1 ZINC000662244709 414474399 /nfs/dbraw/zinc/47/43/99/414474399.db2.gz GFROWWWUACDVKH-BBRMVZONSA-N 2 0 268.445 2.641 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251969 414476586 /nfs/dbraw/zinc/47/65/86/414476586.db2.gz HDUNZTKEGYEKNZ-SJLPKXTDSA-N 2 0 298.430 2.659 20 0 CFADRP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250720 414476731 /nfs/dbraw/zinc/47/67/31/414476731.db2.gz MPEVJYQHVWFFSP-MRXNPFEDSA-N 2 0 292.398 2.557 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000655850165 414478721 /nfs/dbraw/zinc/47/87/21/414478721.db2.gz TUQXHYYIUSDHRC-KBMXLJTQSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC000662266449 414483710 /nfs/dbraw/zinc/48/37/10/414483710.db2.gz ZGKASCUBSXYRBJ-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266050 414484791 /nfs/dbraw/zinc/48/47/91/414484791.db2.gz WBPPMVPOUNTLBI-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP COc1cccc(SCC[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000662271522 414487421 /nfs/dbraw/zinc/48/74/21/414487421.db2.gz VPGLJYNVRPHHJO-UHFFFAOYSA-N 2 0 280.437 2.601 20 0 CFADRP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272826 414488581 /nfs/dbraw/zinc/48/85/81/414488581.db2.gz IVLRFBXURSPHNH-MUJYYYPQSA-N 2 0 250.430 2.874 20 0 CFADRP c1ccc(COCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000662275435 414491190 /nfs/dbraw/zinc/49/11/90/414491190.db2.gz CJBNOZRVDWQMQN-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP CC(C)c1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274940 414491459 /nfs/dbraw/zinc/49/14/59/414491459.db2.gz ZFIPQUGTKIAYFH-IRXDYDNUSA-N 2 0 258.409 2.994 20 0 CFADRP CO[C@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000662283198 414494271 /nfs/dbraw/zinc/49/42/71/414494271.db2.gz MLGGIEBKEPLDLO-DOTOQJQBSA-N 2 0 288.435 2.838 20 0 CFADRP CO[C@@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000662283352 414494430 /nfs/dbraw/zinc/49/44/30/414494430.db2.gz MLGGIEBKEPLDLO-WBVHZDCISA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC2CCC2)C1 ZINC000662284775 414494464 /nfs/dbraw/zinc/49/44/64/414494464.db2.gz PHSHEEADCSNMIB-BZUAXINKSA-N 2 0 266.429 2.537 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662282997 414494529 /nfs/dbraw/zinc/49/45/29/414494529.db2.gz YZGCIMZVUALRCU-JKSUJKDBSA-N 2 0 266.429 2.561 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCC3CCC3)CC2)C1 ZINC000662281850 414494724 /nfs/dbraw/zinc/49/47/24/414494724.db2.gz QCLMLZZIWMJFON-IAGOWNOFSA-N 2 0 280.456 2.785 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662282996 414494932 /nfs/dbraw/zinc/49/49/32/414494932.db2.gz YZGCIMZVUALRCU-HZPDHXFCSA-N 2 0 266.429 2.561 20 0 CFADRP C[C@@H]1CN(CCCc2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000655938259 414495532 /nfs/dbraw/zinc/49/55/32/414495532.db2.gz QFYOLTQLUDFGBM-ABAIWWIYSA-N 2 0 268.351 2.567 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1cc(F)ccc1F ZINC000662281747 414495657 /nfs/dbraw/zinc/49/56/57/414495657.db2.gz LPUYLQVZVSWMTP-DOMZBBRYSA-N 2 0 296.361 2.527 20 0 CFADRP [NH3+]CCN(CCc1noc2ccccc21)Cc1ccccc1 ZINC000655938018 414495844 /nfs/dbraw/zinc/49/58/44/414495844.db2.gz JCBMADGOXYANKE-UHFFFAOYSA-N 2 0 295.386 2.831 20 0 CFADRP C(C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662287427 414496831 /nfs/dbraw/zinc/49/68/31/414496831.db2.gz ZUBVEAVNZUQDOI-IRXDYDNUSA-N 2 0 292.467 2.942 20 0 CFADRP COc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1Cl ZINC000662285208 414497270 /nfs/dbraw/zinc/49/72/70/414497270.db2.gz ZSGRHQZGSIQKSN-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP CC(C)(C)C1CCC(C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662286734 414497777 /nfs/dbraw/zinc/49/77/77/414497777.db2.gz KNPPQZMZGQRIQX-UHFFFAOYSA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000662299488 414498530 /nfs/dbraw/zinc/49/85/30/414498530.db2.gz RIUKPCQLEYQPCW-CQSZACIVSA-N 2 0 258.409 2.778 20 0 CFADRP Cc1ccc2c(c1)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000662298754 414499901 /nfs/dbraw/zinc/49/99/01/414499901.db2.gz GCNZFYCIBPCWAW-UHFFFAOYSA-N 2 0 258.409 2.743 20 0 CFADRP COc1ccc([C@@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1F ZINC000662305251 414501035 /nfs/dbraw/zinc/50/10/35/414501035.db2.gz FXBFKCAUMZMRMR-WFASDCNBSA-N 2 0 278.371 2.581 20 0 CFADRP FCC[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662311312 414504157 /nfs/dbraw/zinc/50/41/57/414504157.db2.gz RRPYKOOCZHFWII-OAHLLOKOSA-N 2 0 256.409 2.838 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)cc1 ZINC000662317432 414505366 /nfs/dbraw/zinc/50/53/66/414505366.db2.gz PEZSAOSRLWGPNA-GOSISDBHSA-N 2 0 288.435 2.920 20 0 CFADRP c1cc(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)no1 ZINC000662318365 414505667 /nfs/dbraw/zinc/50/56/67/414505667.db2.gz ZFLNQZDYVGTOCF-UHFFFAOYSA-N 2 0 297.402 2.700 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCC2)C1)C1CC[NH2+]CC1 ZINC000662318411 414505842 /nfs/dbraw/zinc/50/58/42/414505842.db2.gz ZRNSVHXCQOIXAK-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP CCC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662316569 414505881 /nfs/dbraw/zinc/50/58/81/414505881.db2.gz VUYPLWFIEPJGHV-HNNXBMFYSA-N 2 0 292.398 2.559 20 0 CFADRP Cc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662317234 414506173 /nfs/dbraw/zinc/50/61/73/414506173.db2.gz NVMWACNBXIBTLX-KRWDZBQOSA-N 2 0 276.424 2.538 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000662321995 414506834 /nfs/dbraw/zinc/50/68/34/414506834.db2.gz SRFHEERBKWRKNM-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662322620 414507257 /nfs/dbraw/zinc/50/72/57/414507257.db2.gz WHRXOQAMXSKYQF-WMZOPIPTSA-N 2 0 290.451 2.833 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3CC[C@H]2CC[NH2+]C2)cc1 ZINC000662328955 414507956 /nfs/dbraw/zinc/50/79/56/414507956.db2.gz XMHYRLMEXRKVMF-HPUBIQBYSA-N 2 0 256.393 2.607 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000656193269 414530997 /nfs/dbraw/zinc/53/09/97/414530997.db2.gz CSBNQZVIUPGCGC-BZUAXINKSA-N 2 0 275.440 2.913 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)o1 ZINC000656197846 414532096 /nfs/dbraw/zinc/53/20/96/414532096.db2.gz BVZZSARISJWLLG-MCIONIFRSA-N 2 0 266.385 2.525 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Nc1ccccc1 ZINC000656198089 414532517 /nfs/dbraw/zinc/53/25/17/414532517.db2.gz DKLFNGJVUQRHIA-UAGQMJEPSA-N 2 0 275.440 2.983 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000656201487 414534412 /nfs/dbraw/zinc/53/44/12/414534412.db2.gz QAGYTFUFZSOHSV-UKRRQHHQSA-N 2 0 293.455 2.951 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCO[C@H](C)C3)C2)CC1 ZINC000659865091 414596395 /nfs/dbraw/zinc/59/63/95/414596395.db2.gz ONPAQVAXQFXANG-KZNAEPCWSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659869188 414598386 /nfs/dbraw/zinc/59/83/86/414598386.db2.gz SVLXJNGEMYJYDF-QDMKHBRRSA-N 2 0 250.430 2.837 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000659876192 414603006 /nfs/dbraw/zinc/60/30/06/414603006.db2.gz CKCSAGLEYKEYEP-IRXDYDNUSA-N 2 0 282.472 2.590 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659842685 414581405 /nfs/dbraw/zinc/58/14/05/414581405.db2.gz CRYZVMIFBQPRGE-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1CCC(C)CC1 ZINC000659847666 414583785 /nfs/dbraw/zinc/58/37/85/414583785.db2.gz ZNTYHUQFHSTJNF-VMBOVVBDSA-N 2 0 282.472 2.731 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040905 174040814 /nfs/dbraw/zinc/04/08/14/174040814.db2.gz OBRXVKBTZRCNHL-ZDUSSCGKSA-N 2 0 262.397 2.876 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCC1 ZINC000659956817 414631386 /nfs/dbraw/zinc/63/13/86/414631386.db2.gz NGMNLXHKVBSJQO-RDJZCZTQSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC000659982235 414641013 /nfs/dbraw/zinc/64/10/13/414641013.db2.gz IDZMLTLLXPJLFO-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000659982423 414641381 /nfs/dbraw/zinc/64/13/81/414641381.db2.gz MKSCMTXBWRIWMB-BZSNNMDCSA-N 2 0 295.515 2.628 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCC2)C[C@@H]1C ZINC000659983809 414642594 /nfs/dbraw/zinc/64/25/94/414642594.db2.gz WEKNNXLJGKRPAQ-CWRNSKLLSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000659997114 414645775 /nfs/dbraw/zinc/64/57/75/414645775.db2.gz MBHVWDFBQHXMAP-RYQLBKOJSA-N 2 0 290.451 2.566 20 0 CFADRP CO[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)C1CCCC1 ZINC000660063498 414656646 /nfs/dbraw/zinc/65/66/46/414656646.db2.gz CXIBUTPKZQLTKI-MRXNPFEDSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453401820 287289015 /nfs/dbraw/zinc/28/90/15/287289015.db2.gz FHSMCGCSGNFTQD-MXASKKJJSA-N 2 0 280.456 2.533 20 0 CFADRP CCC1CCC([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000040435605 174261465 /nfs/dbraw/zinc/26/14/65/174261465.db2.gz OFNLJHYIQCOSOS-ABHNRTSZSA-N 2 0 295.515 2.817 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040620780 174355206 /nfs/dbraw/zinc/35/52/06/174355206.db2.gz OBIFQQQLZRKRRP-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP CCC[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668127 174367560 /nfs/dbraw/zinc/36/75/60/174367560.db2.gz DTZLAXVYFCLJOB-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663345536 414678125 /nfs/dbraw/zinc/67/81/25/414678125.db2.gz KOEPIFBWTUAFOP-BZSNNMDCSA-N 2 0 294.483 2.902 20 0 CFADRP C([NH2+]C1CCSCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346668 414678376 /nfs/dbraw/zinc/67/83/76/414678376.db2.gz CHIXQYLIYFILHC-AWEZNQCLSA-N 2 0 268.470 2.594 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286195354 196523047 /nfs/dbraw/zinc/52/30/47/196523047.db2.gz RKKZGIHUDCTMFW-WMZOPIPTSA-N 2 0 289.467 2.672 20 0 CFADRP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)co2)cc1 ZINC000044514030 175189631 /nfs/dbraw/zinc/18/96/31/175189631.db2.gz PHKHCGYHAWTRQT-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000044515818 175189839 /nfs/dbraw/zinc/18/98/39/175189839.db2.gz KJOGUYXUWYMXMI-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP CCOc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC ZINC000044516056 175189939 /nfs/dbraw/zinc/18/99/39/175189939.db2.gz NGZWFKDNVDJBJP-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000044515816 175189998 /nfs/dbraw/zinc/18/99/98/175189998.db2.gz NGRIBWFZFPIYNQ-CYBMUJFWSA-N 2 0 292.423 2.696 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000044515814 175190038 /nfs/dbraw/zinc/19/00/38/175190038.db2.gz NGRIBWFZFPIYNQ-ZDUSSCGKSA-N 2 0 292.423 2.696 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000044517216 175190336 /nfs/dbraw/zinc/19/03/36/175190336.db2.gz LLANPOSXVBZBPN-CYBMUJFWSA-N 2 0 250.386 2.971 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000044517539 175190368 /nfs/dbraw/zinc/19/03/68/175190368.db2.gz RVLNRSQTTNRMTM-ZDUSSCGKSA-N 2 0 262.397 2.775 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000044517515 175190457 /nfs/dbraw/zinc/19/04/57/175190457.db2.gz QUUOHHYEZAIQKO-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(F)c1 ZINC000044516613 175190565 /nfs/dbraw/zinc/19/05/65/175190565.db2.gz PGIZMLMUNVOIFE-GFCCVEGCSA-N 2 0 280.387 2.827 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000044516766 175190661 /nfs/dbraw/zinc/19/06/61/175190661.db2.gz URQWSSLTHCAAJE-ZDUSSCGKSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000044534722 175197422 /nfs/dbraw/zinc/19/74/22/175197422.db2.gz IGWWELIJBATUPX-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534089 175197889 /nfs/dbraw/zinc/19/78/89/175197889.db2.gz XWEKREIXZNLOQO-GOEBONIOSA-N 2 0 276.424 2.558 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000044535813 175198262 /nfs/dbraw/zinc/19/82/62/175198262.db2.gz PPYXHGSCPDCUKE-ZDUSSCGKSA-N 2 0 252.789 2.771 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044535040 175198851 /nfs/dbraw/zinc/19/88/51/175198851.db2.gz RXKWHSQZBGKRCK-GJZGRUSLSA-N 2 0 276.424 2.996 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000044537147 175200245 /nfs/dbraw/zinc/20/02/45/175200245.db2.gz TVYHQISBYSLPBN-OAHLLOKOSA-N 2 0 269.392 2.666 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000054309194 175557235 /nfs/dbraw/zinc/55/72/35/175557235.db2.gz RFBZEGJLFQHASQ-MFKMUULPSA-N 2 0 267.442 2.800 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422746567 292572477 /nfs/dbraw/zinc/57/24/77/292572477.db2.gz ZVGNKGLGIAUQSK-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000415071368 287311467 /nfs/dbraw/zinc/31/14/67/287311467.db2.gz SSZAFFWDPTWLSE-KBAYOESNSA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000070170601 175877083 /nfs/dbraw/zinc/87/70/83/175877083.db2.gz FNJAWJYGHFHTFG-CYBMUJFWSA-N 2 0 287.382 2.935 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000070189823 175881169 /nfs/dbraw/zinc/88/11/69/175881169.db2.gz XDQQFFITGOVRKP-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000072143546 176324019 /nfs/dbraw/zinc/32/40/19/176324019.db2.gz RAJLXPFWLPLGJP-QGZVFWFLSA-N 2 0 258.409 2.695 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000415065512 287399242 /nfs/dbraw/zinc/39/92/42/287399242.db2.gz GKNUOROFRUNWRU-BPQIPLTHSA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000442918335 227194745 /nfs/dbraw/zinc/19/47/45/227194745.db2.gz GPMORFNAYYGMRM-ZDUSSCGKSA-N 2 0 298.377 2.891 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCCC1 ZINC000400926407 420503004 /nfs/dbraw/zinc/50/30/04/420503004.db2.gz HNGJYAONCULZFA-BZUAXINKSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1OCCc2sccc21 ZINC000521068155 260373130 /nfs/dbraw/zinc/37/31/30/260373130.db2.gz NSMQELYLTMUAKJ-UUIJZJDISA-N 2 0 280.437 2.610 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521029575 262172861 /nfs/dbraw/zinc/17/28/61/262172861.db2.gz IBKDNOSKKRXHLC-XHSDSOJGSA-N 2 0 290.451 2.635 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390386318 262186850 /nfs/dbraw/zinc/18/68/50/262186850.db2.gz DDYYPQAKMWCKLJ-QZTJIDSGSA-N 2 0 298.434 2.539 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000391208895 262389798 /nfs/dbraw/zinc/38/97/98/262389798.db2.gz OMFSEVODDSDNOP-MGPQQGTHSA-N 2 0 279.453 2.586 20 0 CFADRP CC(C)CCOCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516213 265183923 /nfs/dbraw/zinc/18/39/23/265183923.db2.gz OJCYYCVLNKOYLG-HZPDHXFCSA-N 2 0 270.461 2.950 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000011889275 265309373 /nfs/dbraw/zinc/30/93/73/265309373.db2.gz OJVBHXOZRMWSRH-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP C(COCC1CCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000519539116 265461743 /nfs/dbraw/zinc/46/17/43/265461743.db2.gz LAGUYNSWCHNJSW-GVDBMIGSSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000192721717 270233404 /nfs/dbraw/zinc/23/34/04/270233404.db2.gz VIZSDAPYAPLOLE-INIZCTEOSA-N 2 0 293.499 2.665 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000257717165 270273940 /nfs/dbraw/zinc/27/39/40/270273940.db2.gz UZGGJRAXQFGAGA-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP CC(C)Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000314896559 270291801 /nfs/dbraw/zinc/29/18/01/270291801.db2.gz JYJNNHWIWGTCMM-CALCHBBNSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000393385293 270307871 /nfs/dbraw/zinc/30/78/71/270307871.db2.gz VZUFJIMCOXFSBN-ARFHVFGLSA-N 2 0 282.472 2.686 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000393590574 270308637 /nfs/dbraw/zinc/30/86/37/270308637.db2.gz IDPJQTZILOEKGU-RRFJBIMHSA-N 2 0 282.472 2.684 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCCCF)C[C@H]1c1ccccc1 ZINC000394216191 270309225 /nfs/dbraw/zinc/30/92/25/270309225.db2.gz BNPNANBRGNWSDD-CVEARBPZSA-N 2 0 264.388 2.801 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000397060898 270315667 /nfs/dbraw/zinc/31/56/67/270315667.db2.gz WYCLHOKKLANLFW-IXDOHACOSA-N 2 0 273.424 2.709 20 0 CFADRP CC[C@H](C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397492568 270318584 /nfs/dbraw/zinc/31/85/84/270318584.db2.gz LUJBAUJYXDRTFJ-INIZCTEOSA-N 2 0 290.451 2.649 20 0 CFADRP CCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397486083 270319009 /nfs/dbraw/zinc/31/90/09/270319009.db2.gz BXUXACSVBQDBRF-INIZCTEOSA-N 2 0 290.451 2.792 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1C[NH3+] ZINC000397459675 270319082 /nfs/dbraw/zinc/31/90/82/270319082.db2.gz QEGDRISJHJJNRF-VYDXJSESSA-N 2 0 298.434 2.678 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424377054 270333253 /nfs/dbraw/zinc/33/32/53/270333253.db2.gz MANJVQWYBCQYPO-WOYTXXSLSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H](C[C@H]1CCCO1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459395532 270337409 /nfs/dbraw/zinc/33/74/09/270337409.db2.gz HYFCANCBRRCORB-WMLDXEAASA-N 2 0 289.423 2.598 20 0 CFADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000459447047 270338449 /nfs/dbraw/zinc/33/84/49/270338449.db2.gz FTAXECTUMINWON-MOPGFXCFSA-N 2 0 299.462 2.648 20 0 CFADRP C[C@@H]([NH2+]CCOc1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000514930585 270358651 /nfs/dbraw/zinc/35/86/51/270358651.db2.gz IUUXSNDGSFWARR-SECBINFHSA-N 2 0 289.206 2.570 20 0 CFADRP COc1ccnc(CN2CC[N@H+](C)C3(CCCCC3)C2)c1 ZINC000515178172 270364107 /nfs/dbraw/zinc/36/41/07/270364107.db2.gz IFMKUGNIKCDGRK-UHFFFAOYSA-N 2 0 289.423 2.541 20 0 CFADRP C[C@@H](C[NH2+]CC1(O)CCC(C)CC1)C[NH+]1CCCCC1 ZINC000516048217 270377145 /nfs/dbraw/zinc/37/71/45/270377145.db2.gz FZYDPARLYIISOO-CGZBRXJRSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000516272950 270379558 /nfs/dbraw/zinc/37/95/58/270379558.db2.gz VFPCRAUKGIGWCB-CQSZACIVSA-N 2 0 298.434 2.737 20 0 CFADRP C(C[C@@H]1CCCOC1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000530207990 270769986 /nfs/dbraw/zinc/76/99/86/270769986.db2.gz FOKZATOCQMTWFO-NXOAAHMSSA-N 2 0 280.456 2.704 20 0 CFADRP C1=CCC(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000530213585 270772292 /nfs/dbraw/zinc/77/22/92/270772292.db2.gz ANZIEPVXBYUEBZ-WMZOPIPTSA-N 2 0 284.403 2.798 20 0 CFADRP Clc1cccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000530220756 270774082 /nfs/dbraw/zinc/77/40/82/270774082.db2.gz CMZZPZVCZIOJJN-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243456 270779435 /nfs/dbraw/zinc/77/94/35/270779435.db2.gz YKJOFOWYUMXIDW-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000531143319 270824111 /nfs/dbraw/zinc/82/41/11/270824111.db2.gz RFRVVVKXSOIKIX-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423116367 274101529 /nfs/dbraw/zinc/10/15/29/274101529.db2.gz POSBLTKLSDNMRK-RULNRJAQSA-N 2 0 266.360 2.537 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000342122469 274110018 /nfs/dbraw/zinc/11/00/18/274110018.db2.gz CBZJWGFLGKOXFR-PEYYIBSZSA-N 2 0 294.826 2.908 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423357930 274135809 /nfs/dbraw/zinc/13/58/09/274135809.db2.gz IZZMWIQTQVWXBJ-RHSMWYFYSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423204205 274136063 /nfs/dbraw/zinc/13/60/63/274136063.db2.gz DDUFJFAMZRBHGH-IUODEOHRSA-N 2 0 292.448 2.821 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC(F)(F)F ZINC000422959876 274237833 /nfs/dbraw/zinc/23/78/33/274237833.db2.gz AFTYQAMCIKZQMY-DGCLKSJQSA-N 2 0 274.330 2.877 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000423241054 274247565 /nfs/dbraw/zinc/24/75/65/274247565.db2.gz CVGCJBSBAHEYJT-ZIAGYGMSSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000422919006 274255363 /nfs/dbraw/zinc/25/53/63/274255363.db2.gz JJPIKXGZZILLGL-ZJUUUORDSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)[C@H](C)[NH3+] ZINC000423480460 274257331 /nfs/dbraw/zinc/25/73/31/274257331.db2.gz WACLGSWJBIOERU-FIXISWKDSA-N 2 0 257.381 2.871 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000358221575 274335549 /nfs/dbraw/zinc/33/55/49/274335549.db2.gz GXHMZMUVRDCXRL-RDTXWAMCSA-N 2 0 272.436 2.721 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000335024170 274913429 /nfs/dbraw/zinc/91/34/29/274913429.db2.gz XJGBEMBZGSAHHS-GDBMZVCRSA-N 2 0 262.372 2.935 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422805030 274951573 /nfs/dbraw/zinc/95/15/73/274951573.db2.gz LKYWOTBTRIJVAB-MSOLQXFVSA-N 2 0 298.434 2.539 20 0 CFADRP c1coc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422963270 275074502 /nfs/dbraw/zinc/07/45/02/275074502.db2.gz ICWWUQKMQCFJTH-AEFFLSMTSA-N 2 0 298.386 2.668 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422807371 275390135 /nfs/dbraw/zinc/39/01/35/275390135.db2.gz MMQWCTPJZYFVKD-IXDOHACOSA-N 2 0 280.456 2.704 20 0 CFADRP C(OC1CC[NH+](CC2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000178976370 275396053 /nfs/dbraw/zinc/39/60/53/275396053.db2.gz HUWWHDNGJGSODK-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452597 275512719 /nfs/dbraw/zinc/51/27/19/275512719.db2.gz SLJRGAYGRQGPIR-YESZJQIVSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185699 533689650 /nfs/dbraw/zinc/68/96/50/533689650.db2.gz VQZVKELXNNBVMX-CQSZACIVSA-N 2 0 289.423 2.655 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000335060140 275626774 /nfs/dbraw/zinc/62/67/74/275626774.db2.gz VAOYSKIEXZKKSS-MRXNPFEDSA-N 2 0 287.451 2.791 20 0 CFADRP CC(C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000125481072 275657347 /nfs/dbraw/zinc/65/73/47/275657347.db2.gz SROILJHODUOLJP-CYBMUJFWSA-N 2 0 279.403 2.637 20 0 CFADRP C(CN1CCC[C@H]([NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000161735483 275723016 /nfs/dbraw/zinc/72/30/16/275723016.db2.gz AVOHMDFPDYKGDG-SFHVURJKSA-N 2 0 293.499 2.813 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414897358 275896403 /nfs/dbraw/zinc/89/64/03/275896403.db2.gz DTJMGTSGLSCQEJ-LSDHHAIUSA-N 2 0 250.430 2.935 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000359015846 275911895 /nfs/dbraw/zinc/91/18/95/275911895.db2.gz DSZXOARAWRMUQT-DLBZAZTESA-N 2 0 294.483 2.804 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000361756894 275941463 /nfs/dbraw/zinc/94/14/63/275941463.db2.gz PTEGOAWQCGXVLC-OWCLPIDISA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CS1 ZINC000459729043 276001853 /nfs/dbraw/zinc/00/18/53/276001853.db2.gz DDKVDWKSNSCXLT-KKUMJFAQSA-N 2 0 270.486 2.838 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000511024322 276004941 /nfs/dbraw/zinc/00/49/41/276004941.db2.gz CGURQGMNVFQJMS-QGZVFWFLSA-N 2 0 288.435 2.844 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422922000 276006626 /nfs/dbraw/zinc/00/66/26/276006626.db2.gz ROYZFRPXBFPHAJ-FZKCQIBNSA-N 2 0 268.445 2.558 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421827224 276014112 /nfs/dbraw/zinc/01/41/12/276014112.db2.gz WVUDDCQVNHAUSD-NVXWUHKLSA-N 2 0 287.451 2.651 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CC(OC)C1 ZINC000347412058 276109279 /nfs/dbraw/zinc/10/92/79/276109279.db2.gz MWJHBASHVDNSNH-PRLABOORSA-N 2 0 268.445 2.654 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000232923793 276168442 /nfs/dbraw/zinc/16/84/42/276168442.db2.gz PNHGARRDOCTBTP-LSDHHAIUSA-N 2 0 260.381 2.538 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349322968 276178987 /nfs/dbraw/zinc/17/89/87/276178987.db2.gz ZFRDNHWQJQZRDK-ZWKOTPCHSA-N 2 0 293.499 2.548 20 0 CFADRP CCC(CC)(CC)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000443066812 276208303 /nfs/dbraw/zinc/20/83/03/276208303.db2.gz IAGRHBLZJCMKOS-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000360987676 276221599 /nfs/dbraw/zinc/22/15/99/276221599.db2.gz SINWTMICQLGDGU-LTIDMASMSA-N 2 0 280.456 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250370476 276221740 /nfs/dbraw/zinc/22/17/40/276221740.db2.gz VMOUNHDBNYHNOK-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@H](C)C1 ZINC000188664858 276229721 /nfs/dbraw/zinc/22/97/21/276229721.db2.gz AMEKDZSUEPMNHF-PVAVHDDUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000414808207 276230345 /nfs/dbraw/zinc/23/03/45/276230345.db2.gz DSNXUIJFYKTIDE-CPUCHLNUSA-N 3 0 275.440 2.526 20 0 CFADRP CCC[C@@H](O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000450714608 276272235 /nfs/dbraw/zinc/27/22/35/276272235.db2.gz HPICILBYAGLYOP-QGZVFWFLSA-N 2 0 284.488 2.981 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423469746 276272850 /nfs/dbraw/zinc/27/28/50/276272850.db2.gz KKWQKJCZDPEZGT-LXTOLFJKSA-N 2 0 296.455 2.606 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC23CCC(CC2)C3)C1 ZINC000347733457 276306504 /nfs/dbraw/zinc/30/65/04/276306504.db2.gz CXVBCUFTAPAUPC-PCKAHOCUSA-N 2 0 250.430 2.840 20 0 CFADRP CCOC1CC2(C1)CC[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000367585985 276311585 /nfs/dbraw/zinc/31/15/85/276311585.db2.gz GAJCEYSTYGZCOU-KLAILNCOSA-N 2 0 280.456 2.752 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCC1 ZINC000358268455 276314400 /nfs/dbraw/zinc/31/44/00/276314400.db2.gz RUTSWPUYAAGLPA-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451354482 276324063 /nfs/dbraw/zinc/32/40/63/276324063.db2.gz RNTMSKCPPGHPBE-BRWVUGGUSA-N 2 0 282.472 2.734 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@@H]1CCCSC1 ZINC000433184436 276324148 /nfs/dbraw/zinc/32/41/48/276324148.db2.gz YVXMFSIXOPPVCR-OAHLLOKOSA-N 2 0 288.501 2.562 20 0 CFADRP CCN(CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])CCC(F)(F)F ZINC000423080510 276348936 /nfs/dbraw/zinc/34/89/36/276348936.db2.gz SQLPOFJYYUBISM-OLZOCXBDSA-N 2 0 295.393 2.510 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133991185 276383930 /nfs/dbraw/zinc/38/39/30/276383930.db2.gz IFSRQCWAPAOFQC-ZWKOTPCHSA-N 2 0 293.499 2.596 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189111621 276385157 /nfs/dbraw/zinc/38/51/57/276385157.db2.gz MZNYXAUPTPWXOP-SJORKVTESA-N 2 0 293.499 2.572 20 0 CFADRP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000348472396 276397892 /nfs/dbraw/zinc/39/78/92/276397892.db2.gz XMHJLXPFBNXLDR-HZSPNIEDSA-N 2 0 256.459 2.735 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423394794 276692446 /nfs/dbraw/zinc/69/24/46/276692446.db2.gz SJWIOLNCGCUJEV-QJPTWQEYSA-N 2 0 279.453 2.813 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000276855661 276783711 /nfs/dbraw/zinc/78/37/11/276783711.db2.gz VDPLKJZJDNTQEW-HNNXBMFYSA-N 2 0 262.397 2.701 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000211831471 276784297 /nfs/dbraw/zinc/78/42/97/276784297.db2.gz XKKBQXFXGQLBPG-HNNXBMFYSA-N 2 0 266.816 2.739 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000271878059 277023127 /nfs/dbraw/zinc/02/31/27/277023127.db2.gz ORBDEXIYHWQYCL-MRXNPFEDSA-N 2 0 260.356 2.665 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000271878058 277023452 /nfs/dbraw/zinc/02/34/52/277023452.db2.gz ORBDEXIYHWQYCL-INIZCTEOSA-N 2 0 260.356 2.665 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000234331832 277026915 /nfs/dbraw/zinc/02/69/15/277026915.db2.gz KJWVAHPPIOQTGU-KRWDZBQOSA-N 2 0 274.408 2.701 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000376675532 277036798 /nfs/dbraw/zinc/03/67/98/277036798.db2.gz YRONNGIGTVKONT-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423264107 277082898 /nfs/dbraw/zinc/08/28/98/277082898.db2.gz YBOUHDWRQITPNN-UKRRQHHQSA-N 2 0 289.423 2.685 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000272743162 277083098 /nfs/dbraw/zinc/08/30/98/277083098.db2.gz LJXIPTASFSJBBN-ZDUSSCGKSA-N 2 0 287.407 2.558 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415110475 277140150 /nfs/dbraw/zinc/14/01/50/277140150.db2.gz PDDCMCQLMXGYOB-CABCVRRESA-N 2 0 268.445 2.641 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@H]2CCC[C@H]21 ZINC000353645614 277170852 /nfs/dbraw/zinc/17/08/52/277170852.db2.gz PBJXIEFZFPUHRN-RZFLPCETSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@H]2CCC[C@@H]21 ZINC000421869940 277171360 /nfs/dbraw/zinc/17/13/60/277171360.db2.gz FETYKTFXUKBORA-FZKCQIBNSA-N 2 0 294.508 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@@H]2CCC[C@H]21 ZINC000421869946 277171394 /nfs/dbraw/zinc/17/13/94/277171394.db2.gz FETYKTFXUKBORA-YHUYYLMFSA-N 2 0 294.508 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H]2CCC[C@H]21 ZINC000348211694 277171646 /nfs/dbraw/zinc/17/16/46/277171646.db2.gz FQWQPYWGBPFTAR-ZQDZILKHSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000358364929 277173087 /nfs/dbraw/zinc/17/30/87/277173087.db2.gz HCWNXXOOEDTVHW-AKHDSKFASA-N 2 0 299.462 2.648 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000430148133 277185890 /nfs/dbraw/zinc/18/58/90/277185890.db2.gz RBPIECLDDHGQCB-SQNIBIBYSA-N 2 0 270.420 2.818 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC000429030647 277185955 /nfs/dbraw/zinc/18/59/55/277185955.db2.gz SDBCRGSWDASDNO-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP COCCC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360173102 277204641 /nfs/dbraw/zinc/20/46/41/277204641.db2.gz LWVODTUZHVTGFB-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459739576 277246408 /nfs/dbraw/zinc/24/64/08/277246408.db2.gz SXBVCDIKLOXGBE-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000063158879 277265106 /nfs/dbraw/zinc/26/51/06/277265106.db2.gz FILHKVGYJLOVAV-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363812343 277351725 /nfs/dbraw/zinc/35/17/25/277351725.db2.gz DAQNJYWJABTXTR-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000368516193 277386461 /nfs/dbraw/zinc/38/64/61/277386461.db2.gz BRDVTLGHYSVLNI-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422995501 277387937 /nfs/dbraw/zinc/38/79/37/277387937.db2.gz KFSDJCMWJRBNCV-ZACQAIPSSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422994706 277387968 /nfs/dbraw/zinc/38/79/68/277387968.db2.gz IMSUOHAEZPWILY-HZPDHXFCSA-N 2 0 269.477 2.604 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000340541870 277397417 /nfs/dbraw/zinc/39/74/17/277397417.db2.gz LDGFNEWCMVERDY-ZACQAIPSSA-N 2 0 282.472 2.902 20 0 CFADRP COC1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000346182400 277477343 /nfs/dbraw/zinc/47/73/43/277477343.db2.gz UFUMFYGYYWCSBE-UHFFFAOYSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000312256545 277585239 /nfs/dbraw/zinc/58/52/39/277585239.db2.gz LIURJBYVGKRWMG-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000432985492 277610964 /nfs/dbraw/zinc/61/09/64/277610964.db2.gz NMUBXNBHFGUQCT-ABHNRTSZSA-N 2 0 293.499 2.571 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)CCCC[NH3+])CC2 ZINC000415009213 277966479 /nfs/dbraw/zinc/96/64/79/277966479.db2.gz FBDJWZLDRQPPJM-XJKSGUPXSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417872979 278002701 /nfs/dbraw/zinc/00/27/01/278002701.db2.gz NVNNGBCCJJDLJK-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000352632128 278011529 /nfs/dbraw/zinc/01/15/29/278011529.db2.gz YMJUDFDLDYAYIU-ZACQAIPSSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000352608607 278012024 /nfs/dbraw/zinc/01/20/24/278012024.db2.gz NMCRHQVZORMTHU-XLMAVXFVSA-N 2 0 292.467 2.750 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000414191901 278026906 /nfs/dbraw/zinc/02/69/06/278026906.db2.gz LOHWQNYLEJHTQW-DTZQCDIJSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)c1ccc(C[C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423022680 278037875 /nfs/dbraw/zinc/03/78/75/278037875.db2.gz IDUVQRJQXNFOHZ-KGLIPLIRSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261719945 278086133 /nfs/dbraw/zinc/08/61/33/278086133.db2.gz FSIWRFFNKTXAEJ-PVAVHDDUSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000089749307 278112233 /nfs/dbraw/zinc/11/22/33/278112233.db2.gz UFPSBXWOLSQHRL-NEPJUHHUSA-N 2 0 250.411 2.667 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000300408656 278145880 /nfs/dbraw/zinc/14/58/80/278145880.db2.gz GHQWPXRCJBQLMH-BYNSBNAKSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@H](CCN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000422818457 278173919 /nfs/dbraw/zinc/17/39/19/278173919.db2.gz GEKJYFVLUMXLEX-NUJGCVRESA-N 2 0 289.467 2.627 20 0 CFADRP CC1(C)CCC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261583420 278196420 /nfs/dbraw/zinc/19/64/20/278196420.db2.gz RSRGPIIINSLFRK-LSDHHAIUSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422867655 278210217 /nfs/dbraw/zinc/21/02/17/278210217.db2.gz SSMJKZWYAHRSCC-KJWYOANISA-N 2 0 287.451 2.984 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC12CCOCC2)C[NH+]1CCCCC1 ZINC000374331498 278210519 /nfs/dbraw/zinc/21/05/19/278210519.db2.gz YTPGYUMNNYWBFE-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357039867 278225611 /nfs/dbraw/zinc/22/56/11/278225611.db2.gz AZPUKAXZAKFCLA-YJBOKZPZSA-N 2 0 294.483 2.761 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000422759078 278227212 /nfs/dbraw/zinc/22/72/12/278227212.db2.gz KTCNEQYSHMKVCG-CABCVRRESA-N 2 0 269.477 2.604 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423465582 278228077 /nfs/dbraw/zinc/22/80/77/278228077.db2.gz WPZIYYCCORIWDM-TVQRCGJNSA-N 2 0 254.324 2.669 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCCCCC1 ZINC000471598824 278231644 /nfs/dbraw/zinc/23/16/44/278231644.db2.gz MEDBRQJKTAQMRV-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422823085 278254177 /nfs/dbraw/zinc/25/41/77/278254177.db2.gz LAXAAINWHVEHJU-MAUKXSAKSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CC1(C)C ZINC000486944742 278254188 /nfs/dbraw/zinc/25/41/88/278254188.db2.gz ZCMHJYPUNJGQCL-WFASDCNBSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000459790113 278259982 /nfs/dbraw/zinc/25/99/82/278259982.db2.gz QUJJECCCQQGZBZ-UONOGXRCSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000183186127 278282708 /nfs/dbraw/zinc/28/27/08/278282708.db2.gz INLKTFDYJJYCJI-NXOAAHMSSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000414883440 278283172 /nfs/dbraw/zinc/28/31/72/278283172.db2.gz UWUBZKFYROXIGL-QWRGUYRKSA-N 2 0 274.330 2.993 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000261590006 278311286 /nfs/dbraw/zinc/31/12/86/278311286.db2.gz UHNLDXXIISSPET-GMTAPVOTSA-N 2 0 285.229 2.705 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000335280837 278327986 /nfs/dbraw/zinc/32/79/86/278327986.db2.gz UIYLHMYLJMCKKP-ZDUSSCGKSA-N 2 0 262.372 2.790 20 0 CFADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000261910664 278330595 /nfs/dbraw/zinc/33/05/95/278330595.db2.gz ZRMHMELDCUXUOO-GFCCVEGCSA-N 2 0 278.362 2.896 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430954430 278335073 /nfs/dbraw/zinc/33/50/73/278335073.db2.gz JLVXNKHFVNQVCA-LSDHHAIUSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060750 278337061 /nfs/dbraw/zinc/33/70/61/278337061.db2.gz XLJCYEHVUQDTCR-VYMRPNJYSA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000334530305 278340384 /nfs/dbraw/zinc/34/03/84/278340384.db2.gz JTIYAUSFIKYABV-QGZVFWFLSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414855538 278341504 /nfs/dbraw/zinc/34/15/04/278341504.db2.gz WXHNHVMGXGFYHW-INIZCTEOSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423139682 278348126 /nfs/dbraw/zinc/34/81/26/278348126.db2.gz WGVLQJGPOLQOSM-RISCZKNCSA-N 2 0 286.341 2.920 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000311106029 278349408 /nfs/dbraw/zinc/34/94/08/278349408.db2.gz QVVCLFGEFVQEPL-VHSXEESVSA-N 2 0 260.303 2.951 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000423490051 278352129 /nfs/dbraw/zinc/35/21/29/278352129.db2.gz HISYTHDXSHIPKH-JRHYKELJSA-N 2 0 292.467 2.559 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)OCCCO2 ZINC000422948178 278362697 /nfs/dbraw/zinc/36/26/97/278362697.db2.gz ZYUBTNRKWYREKN-QWHCGFSZSA-N 2 0 278.396 2.626 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CO1 ZINC000417903457 278388368 /nfs/dbraw/zinc/38/83/68/278388368.db2.gz RONGVSXTOGGOGX-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424190674 278523883 /nfs/dbraw/zinc/52/38/83/278523883.db2.gz GCUMCODXJJYEIE-GJZGRUSLSA-N 2 0 297.487 2.554 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H](C)[C@H]1OC ZINC000344103229 278634468 /nfs/dbraw/zinc/63/44/68/278634468.db2.gz OGAJJHOZTJNEAO-FVQBIDKESA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(OC)cc1 ZINC000423365502 288070477 /nfs/dbraw/zinc/07/04/77/288070477.db2.gz BVOQOGWUGQKVPV-BJJXKVORSA-N 2 0 262.397 2.876 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cccc(OC)c1 ZINC000423387316 288070499 /nfs/dbraw/zinc/07/04/99/288070499.db2.gz RYHKTCJKZWTFOU-BJJXKVORSA-N 2 0 262.397 2.876 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCOCC[NH+](C)C)CCC2 ZINC000447594315 278891019 /nfs/dbraw/zinc/89/10/19/278891019.db2.gz YDCZOKASSKHASE-QGZVFWFLSA-N 2 0 276.424 2.540 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423552456 279022540 /nfs/dbraw/zinc/02/25/40/279022540.db2.gz UYBSNXBAOQHNQE-YXROGFHTSA-N 2 0 270.420 2.898 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451829224 279093003 /nfs/dbraw/zinc/09/30/03/279093003.db2.gz ARDXBDDAEFNUTD-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429371283 279095042 /nfs/dbraw/zinc/09/50/42/279095042.db2.gz YIFYWWQNLZEVCQ-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000191814881 279096067 /nfs/dbraw/zinc/09/60/67/279096067.db2.gz NSQDYFVYOWAUAJ-AEFFLSMTSA-N 2 0 293.499 2.667 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337381253 279099891 /nfs/dbraw/zinc/09/98/91/279099891.db2.gz DBOZPSMOWOSTCX-CHWSQXEVSA-N 2 0 278.387 2.858 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000087406590 279101477 /nfs/dbraw/zinc/10/14/77/279101477.db2.gz SDAOWZNWURLUGO-UONOGXRCSA-N 2 0 280.460 2.890 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC1(C)C ZINC000349649585 279109113 /nfs/dbraw/zinc/10/91/13/279109113.db2.gz DFGUCFDTORFZFQ-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423480524 279119579 /nfs/dbraw/zinc/11/95/79/279119579.db2.gz NJYCOGNDQPWTAO-QWHCGFSZSA-N 2 0 279.453 2.951 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000348306031 279134613 /nfs/dbraw/zinc/13/46/13/279134613.db2.gz WKXIJPJPAAOJMK-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000414698604 279179500 /nfs/dbraw/zinc/17/95/00/279179500.db2.gz SBFKIJYBECVLRH-ROUUACIJSA-N 2 0 295.515 2.948 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000374360511 279256921 /nfs/dbraw/zinc/25/69/21/279256921.db2.gz QTNLHRONSGYBSZ-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340248804 279257019 /nfs/dbraw/zinc/25/70/19/279257019.db2.gz XFNMMSUSGAWDBU-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415114439 279257307 /nfs/dbraw/zinc/25/73/07/279257307.db2.gz SQDKBPMUVMRXCU-VYDXJSESSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCOC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000192610102 279268144 /nfs/dbraw/zinc/26/81/44/279268144.db2.gz MBQQTZCCCPBBNQ-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423203041 279271902 /nfs/dbraw/zinc/27/19/02/279271902.db2.gz BTXNUTJWCWTVJE-OLZOCXBDSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H](C[NH2+]C1CCC2(CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000352835315 279346468 /nfs/dbraw/zinc/34/64/68/279346468.db2.gz OQSQDFQGVKCTER-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000224234614 279367250 /nfs/dbraw/zinc/36/72/50/279367250.db2.gz AEUNWRGTQDIMQL-HYVNUMGLSA-N 2 0 276.424 2.620 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415018743 279378429 /nfs/dbraw/zinc/37/84/29/279378429.db2.gz RFPYEJZQLBQNSW-VWYCJHECSA-N 2 0 274.330 2.962 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000127111625 279481808 /nfs/dbraw/zinc/48/18/08/279481808.db2.gz YQBLCOVISAWSBV-MRXNPFEDSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000180460422 279482093 /nfs/dbraw/zinc/48/20/93/279482093.db2.gz KPQPTIOBKSGKIE-CVEARBPZSA-N 2 0 298.496 2.504 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414957198 279516212 /nfs/dbraw/zinc/51/62/12/279516212.db2.gz NXPDZAQLLWVQNO-INMHGKMJSA-N 2 0 281.488 2.617 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227136319 279636810 /nfs/dbraw/zinc/63/68/10/279636810.db2.gz NVQDLMDAHMOYFJ-BBWFWOEESA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414782090 279657313 /nfs/dbraw/zinc/65/73/13/279657313.db2.gz WXZPLAVVJXOIMZ-LLLHUVSDSA-N 2 0 280.456 2.641 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000335076084 279669279 /nfs/dbraw/zinc/66/92/79/279669279.db2.gz IBOJNYGXSSBFKC-IAGOWNOFSA-N 2 0 258.409 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334847435 279672130 /nfs/dbraw/zinc/67/21/30/279672130.db2.gz MRGDWTDEBDVHBM-UKRRQHHQSA-N 2 0 266.429 2.585 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3[NH3+])CC2)C1 ZINC000424362712 279688645 /nfs/dbraw/zinc/68/86/45/279688645.db2.gz ASKCCFIKWPHUQI-DZJNRPSUSA-N 2 0 293.499 2.889 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1(C)C ZINC000423054560 279699921 /nfs/dbraw/zinc/69/99/21/279699921.db2.gz UYRPYGMSEYTSNU-CBBWQLFWSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]CC(C)(C)C)C[C@@H](C)O1 ZINC000237447324 288160208 /nfs/dbraw/zinc/16/02/08/288160208.db2.gz CZAWWXUOOWJEKV-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453121266 279761607 /nfs/dbraw/zinc/76/16/07/279761607.db2.gz DSIWHPJMBBLCSG-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC[NH3+] ZINC000423327087 279767555 /nfs/dbraw/zinc/76/75/55/279767555.db2.gz MSSJTBSETKROKN-NHYWBVRUSA-N 2 0 250.361 2.778 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422924504 280083354 /nfs/dbraw/zinc/08/33/54/280083354.db2.gz YRNBTWABYMHORV-JJXSEGSLSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353611924 280083460 /nfs/dbraw/zinc/08/34/60/280083460.db2.gz GCEZKHBSBZHFAM-ILOCAZANSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422925123 280083748 /nfs/dbraw/zinc/08/37/48/280083748.db2.gz ZSOSXEQQSHZTPC-WCVJEAGWSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@]1([NH3+])CCCC[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424350474 280166656 /nfs/dbraw/zinc/16/66/56/280166656.db2.gz XHHCKYKZCJFVQA-FZMZJTMJSA-N 2 0 278.400 2.563 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000415106815 280173296 /nfs/dbraw/zinc/17/32/96/280173296.db2.gz JYVATVQXUIXNAK-KURKYZTESA-N 2 0 288.435 2.546 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000158196127 280186506 /nfs/dbraw/zinc/18/65/06/280186506.db2.gz ZKGQINQTVHIIMW-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccnc1 ZINC000422832651 280255800 /nfs/dbraw/zinc/25/58/00/280255800.db2.gz LHYHLYNHEJRBOG-XIRDDKMYSA-N 2 0 275.440 2.928 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371604381 280273576 /nfs/dbraw/zinc/27/35/76/280273576.db2.gz DEVSFEOZKOAGSQ-SOLBZPMBSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)C[N@@H+]1[C@H](CC)CC[C@@H]1C ZINC000447307329 280325059 /nfs/dbraw/zinc/32/50/59/280325059.db2.gz VCARWKGXVZCIIO-JJTUDDRGSA-N 2 0 282.472 2.873 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000423541429 280333548 /nfs/dbraw/zinc/33/35/48/280333548.db2.gz LADAVWDYDCCADE-SMKXDYDZSA-N 2 0 291.414 2.896 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000344271982 280340736 /nfs/dbraw/zinc/34/07/36/280340736.db2.gz AQYIYUYLXFFQQB-HNNXBMFYSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000035450726 533691435 /nfs/dbraw/zinc/69/14/35/533691435.db2.gz UMHRCIDGVIUIOB-ZDUSSCGKSA-N 2 0 252.402 2.778 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414915646 280478849 /nfs/dbraw/zinc/47/88/49/280478849.db2.gz OJLKKAFUEMUUTM-SQNIBIBYSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[NH3+])CCS2 ZINC000423180034 280676850 /nfs/dbraw/zinc/67/68/50/280676850.db2.gz DUBGWHYYDVMWMD-ZDUSSCGKSA-N 2 0 250.411 2.779 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237051271 280809212 /nfs/dbraw/zinc/80/92/12/280809212.db2.gz FBKVMJMAWCOUPK-QGZVFWFLSA-N 2 0 289.423 2.527 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000158598995 280850053 /nfs/dbraw/zinc/85/00/53/280850053.db2.gz XNPCCEDWMCVNSU-HRCADAONSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246889482 281000242 /nfs/dbraw/zinc/00/02/42/281000242.db2.gz FIGYBPYUBRIVRF-WCXIOVBPSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246961563 281001693 /nfs/dbraw/zinc/00/16/93/281001693.db2.gz IOXUGYIRQSXNPK-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000335044334 281001899 /nfs/dbraw/zinc/00/18/99/281001899.db2.gz JMDWOJQQNYBWDX-GJZGRUSLSA-N 2 0 280.456 2.704 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246944127 281001922 /nfs/dbraw/zinc/00/19/22/281001922.db2.gz HTVJDTPEOFHKQJ-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](CC)C[C@H]1C)[NH+](C)C ZINC000247103381 281005482 /nfs/dbraw/zinc/00/54/82/281005482.db2.gz QBNKSBAHFOODNP-OIISXLGYSA-N 2 0 283.504 2.673 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247989489 281017132 /nfs/dbraw/zinc/01/71/32/281017132.db2.gz JEKHMWYQGVBRNC-ZBFHGGJFSA-N 2 0 274.408 2.832 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC)[C@H](C)C1 ZINC000247975946 281017718 /nfs/dbraw/zinc/01/77/18/281017718.db2.gz KWBGRVBBAKEYLK-KFWWJZLASA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000248649203 281030544 /nfs/dbraw/zinc/03/05/44/281030544.db2.gz VFPNLUJEGBJXOQ-NXHRZFHOSA-N 2 0 293.499 2.571 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000248890651 281040223 /nfs/dbraw/zinc/04/02/23/281040223.db2.gz WDBXZCZIXIBCKT-ZACQAIPSSA-N 2 0 295.515 2.674 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000248937037 281041027 /nfs/dbraw/zinc/04/10/27/281041027.db2.gz CEVGMJALRJEGOF-HZPDHXFCSA-N 2 0 266.429 2.506 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000249104467 281048547 /nfs/dbraw/zinc/04/85/47/281048547.db2.gz OWHNLKLEZBAHNP-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000249262001 281053557 /nfs/dbraw/zinc/05/35/57/281053557.db2.gz HDNWSTTWDPQPPE-ROUUACIJSA-N 2 0 295.515 2.771 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000254971977 281083121 /nfs/dbraw/zinc/08/31/21/281083121.db2.gz HQOFWGNWGMLZID-CGQZWFTASA-N 2 0 258.409 2.973 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261565315 281112026 /nfs/dbraw/zinc/11/20/26/281112026.db2.gz FGWMLEKKAAQFBZ-BJJXKVORSA-N 2 0 262.372 2.693 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)N(C)C)cc1 ZINC000268926107 281118274 /nfs/dbraw/zinc/11/82/74/281118274.db2.gz RNLCJLMRBJSXEZ-BFHYXJOUSA-N 2 0 264.413 2.727 20 0 CFADRP Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)cc[nH+]1 ZINC000274964615 281125828 /nfs/dbraw/zinc/12/58/28/281125828.db2.gz XEFGDWKCACRIKS-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000248585195 281128616 /nfs/dbraw/zinc/12/86/16/281128616.db2.gz XIHPCANEWVVFCP-OIISXLGYSA-N 2 0 292.467 2.893 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CCC[C@@H](C[NH3+])C3)c2c1 ZINC000334989917 281169105 /nfs/dbraw/zinc/16/91/05/281169105.db2.gz GVYOALPVMBUCTI-ZDUSSCGKSA-N 2 0 255.365 2.718 20 0 CFADRP CC(C)(CNC1CC[NH+](C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000357852795 281180484 /nfs/dbraw/zinc/18/04/84/281180484.db2.gz PEHYVTUGBQHTIY-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000397050340 281200527 /nfs/dbraw/zinc/20/05/27/281200527.db2.gz SKOAPEWCAZLJGH-QJPTWQEYSA-N 2 0 264.335 2.791 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000397050342 281200533 /nfs/dbraw/zinc/20/05/33/281200533.db2.gz SKOAPEWCAZLJGH-SRVKXCTJSA-N 2 0 264.335 2.791 20 0 CFADRP CSc1ccc(OCC[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420371030 281219521 /nfs/dbraw/zinc/21/95/21/281219521.db2.gz WQRXTSGMTPHHDX-HNNXBMFYSA-N 2 0 294.464 2.765 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422930336 281222326 /nfs/dbraw/zinc/22/23/26/281222326.db2.gz SXYWOJOQPUADDH-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422929378 281222460 /nfs/dbraw/zinc/22/24/60/281222460.db2.gz PPZAJQNRFBLNPD-VQIMIIECSA-N 2 0 298.430 2.922 20 0 CFADRP CN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccccc1 ZINC000423010481 281223173 /nfs/dbraw/zinc/22/31/73/281223173.db2.gz GNINRQLXVWYNGC-DQVOVIAYSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423009805 281223372 /nfs/dbraw/zinc/22/33/72/281223372.db2.gz DYOKHMYKRVVCLN-RCCFBDPRSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(-n2cccn2)cc1 ZINC000424374764 281227558 /nfs/dbraw/zinc/22/75/58/281227558.db2.gz LQKAMLMUBZMYSK-KBRIMQKVSA-N 2 0 284.407 2.793 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCCC2 ZINC000424373544 281227578 /nfs/dbraw/zinc/22/75/78/281227578.db2.gz JRJOALPNEIWHCB-FPCVCCKLSA-N 2 0 280.456 2.974 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCC1 ZINC000453103717 281249291 /nfs/dbraw/zinc/24/92/91/281249291.db2.gz CQVOGFDRDRPMJK-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459337043 281256007 /nfs/dbraw/zinc/25/60/07/281256007.db2.gz ATOFMNKUISCTGH-HNNXBMFYSA-N 2 0 258.409 2.948 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)no1 ZINC000459365372 281256662 /nfs/dbraw/zinc/25/66/62/281256662.db2.gz AZXUDKFWOVYZHZ-ZDUSSCGKSA-N 2 0 265.401 2.585 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459454579 281265274 /nfs/dbraw/zinc/26/52/74/281265274.db2.gz URQSNLASZAPTKN-MRXNPFEDSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459480762 281266568 /nfs/dbraw/zinc/26/65/68/281266568.db2.gz WLCFRAPJFIKARS-OAHLLOKOSA-N 2 0 293.499 2.713 20 0 CFADRP c1nc(C2CC2)ncc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000459600151 281270605 /nfs/dbraw/zinc/27/06/05/281270605.db2.gz ZDGMNENZAQOFLE-UHFFFAOYSA-N 2 0 288.439 2.710 20 0 CFADRP CC(C)(C)[NH2+]CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000521039729 281310583 /nfs/dbraw/zinc/31/05/83/281310583.db2.gz MLPLABONHQDIQP-HNNXBMFYSA-N 2 0 297.487 2.569 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527652500 281337276 /nfs/dbraw/zinc/33/72/76/281337276.db2.gz DYGHBCIHZXYYPN-RCBQFDQVSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CC(F)(F)C1 ZINC000529531989 281402623 /nfs/dbraw/zinc/40/26/23/281402623.db2.gz OAOZRTDGPRQINA-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000529540535 281404065 /nfs/dbraw/zinc/40/40/65/281404065.db2.gz CUKDIRWUTMZHJY-UHFFFAOYSA-N 2 0 273.355 2.572 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000414796277 533691896 /nfs/dbraw/zinc/69/18/96/533691896.db2.gz HGSDNVXGZMIOPY-IAQYHMDHSA-N 2 0 282.815 2.956 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000554561011 281897852 /nfs/dbraw/zinc/89/78/52/281897852.db2.gz YMJIGMCCDNQNTL-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP CCOCC(C)(C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554742671 281902731 /nfs/dbraw/zinc/90/27/31/281902731.db2.gz UDFQXQZVVGYSMR-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP FC1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000558257013 281979193 /nfs/dbraw/zinc/97/91/93/281979193.db2.gz MBCHOVOAXRLEBY-UHFFFAOYSA-N 2 0 254.393 2.733 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC12CCOCC2)C[NH+]1CCCC1 ZINC000558622804 281986917 /nfs/dbraw/zinc/98/69/17/281986917.db2.gz DJXJNVVJNKZDQZ-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000414746624 282001175 /nfs/dbraw/zinc/00/11/75/282001175.db2.gz SNNNLKOCNHTQFJ-UXIGCNINSA-N 2 0 279.453 2.977 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000355331228 282023963 /nfs/dbraw/zinc/02/39/63/282023963.db2.gz YGTJPPPTLOFECW-SOUVJXGZSA-N 2 0 297.487 2.532 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000359326402 282026766 /nfs/dbraw/zinc/02/67/66/282026766.db2.gz FPHHEALMMKQVAW-HUUCEWRRSA-N 2 0 297.487 2.534 20 0 CFADRP Cc1nc2c(s1)[C@@H]([N@H+](C)CC[C@H]1CC[NH2+]C1)CCC2 ZINC000420319114 282029126 /nfs/dbraw/zinc/02/91/26/282029126.db2.gz OWPMSUHLKDEJLO-OCCSQVGLSA-N 2 0 279.453 2.760 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000560545820 282033927 /nfs/dbraw/zinc/03/39/27/282033927.db2.gz XDCURSSEPGSPKE-KSZLIROESA-N 2 0 272.436 3.000 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000560961383 282044629 /nfs/dbraw/zinc/04/46/29/282044629.db2.gz MNOJWTZCUYQPMT-NEPJUHHUSA-N 2 0 265.426 2.628 20 0 CFADRP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000157258533 282046432 /nfs/dbraw/zinc/04/64/32/282046432.db2.gz YGZMPWFTYKYVLL-SJORKVTESA-N 2 0 287.451 2.985 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000562056174 282066177 /nfs/dbraw/zinc/06/61/77/282066177.db2.gz CQFFXESBDRQYLE-SOLBZPMBSA-N 2 0 296.499 2.884 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000157498172 289060929 /nfs/dbraw/zinc/06/09/29/289060929.db2.gz BOINPTPADHADKY-JKSUJKDBSA-N 2 0 273.424 2.595 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000364920748 289094332 /nfs/dbraw/zinc/09/43/32/289094332.db2.gz RSWJCNKYHOYFLK-XHSDSOJGSA-N 2 0 292.467 2.656 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423417843 292717453 /nfs/dbraw/zinc/71/74/53/292717453.db2.gz GFZAKHZSRUXHHR-FPCVCCKLSA-N 2 0 268.445 2.546 20 0 CFADRP CN(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(F)c1 ZINC000422726188 289287617 /nfs/dbraw/zinc/28/76/17/289287617.db2.gz DIMQHFWLTMNYOL-IMRCBTMISA-N 2 0 293.430 2.536 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000364964095 289303204 /nfs/dbraw/zinc/30/32/04/289303204.db2.gz UREARVCNCSGTSO-JCCCHCCOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423109584 289459243 /nfs/dbraw/zinc/45/92/43/289459243.db2.gz NVILSNVIBNYHEY-SNVBAGLBSA-N 2 0 252.324 2.826 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)C[NH+]1CCCCC1 ZINC000340191186 289696210 /nfs/dbraw/zinc/69/62/10/289696210.db2.gz IAUAUQPHXCCXAQ-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151849895 289832545 /nfs/dbraw/zinc/83/25/45/289832545.db2.gz QWVQSPNHMHOVOO-SJORKVTESA-N 2 0 296.499 2.885 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000155740710 289925175 /nfs/dbraw/zinc/92/51/75/289925175.db2.gz YOPUIXMMARDHMV-SJORKVTESA-N 2 0 289.467 2.672 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)OCCCO2 ZINC000051693589 289937926 /nfs/dbraw/zinc/93/79/26/289937926.db2.gz QRUYGRTXWRLPAN-GRTSSRMGSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423480040 289956511 /nfs/dbraw/zinc/95/65/11/289956511.db2.gz MRMWEUPMEZKKHV-GXTWGEPZSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCSCC1 ZINC000187279644 290011768 /nfs/dbraw/zinc/01/17/68/290011768.db2.gz BNHSDXZDLAFJNM-CFVMTHIKSA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000562382259 290039289 /nfs/dbraw/zinc/03/92/89/290039289.db2.gz ASKRTNUXELENHV-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000562442775 290044047 /nfs/dbraw/zinc/04/40/47/290044047.db2.gz AOSOGZMQRHJODO-JKSUJKDBSA-N 2 0 278.440 2.676 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422941457 290061796 /nfs/dbraw/zinc/06/17/96/290061796.db2.gz OOSCBRFBBVJIEX-NUTKFTJISA-N 2 0 272.392 2.630 20 0 CFADRP Cc1cnccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000562647636 290062490 /nfs/dbraw/zinc/06/24/90/290062490.db2.gz UNEKRTHHSOOUGO-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000562657484 290063468 /nfs/dbraw/zinc/06/34/68/290063468.db2.gz RFRYDKYABAWWMU-FOLVSLTJSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000562956075 290085299 /nfs/dbraw/zinc/08/52/99/290085299.db2.gz CRQRWFXYGPDJTL-KBPBESRZSA-N 2 0 294.439 2.785 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000563136131 290107481 /nfs/dbraw/zinc/10/74/81/290107481.db2.gz SQNJFURHTWXRON-IRXDYDNUSA-N 2 0 258.409 2.680 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nc2ccccc2n1C ZINC000563154279 290109627 /nfs/dbraw/zinc/10/96/27/290109627.db2.gz LPUHSIPCIPOJOR-ZDUSSCGKSA-N 2 0 294.402 2.883 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCC2 ZINC000563154131 290109774 /nfs/dbraw/zinc/10/97/74/290109774.db2.gz JYOYYWVZSBAKGD-HZPDHXFCSA-N 2 0 274.408 2.583 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000563153337 290109918 /nfs/dbraw/zinc/10/99/18/290109918.db2.gz SNYLBKYXOUNIOF-GFCCVEGCSA-N 2 0 250.411 2.579 20 0 CFADRP CCCc1ccc([C@H]([NH2+]C[C@@](C)(O)C[NH2+]C)C(C)C)cc1 ZINC000563271649 290126195 /nfs/dbraw/zinc/12/61/95/290126195.db2.gz XLRKFLCOHCVHSV-MSOLQXFVSA-N 2 0 292.467 2.896 20 0 CFADRP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC12CCCCC2 ZINC000563360305 290137831 /nfs/dbraw/zinc/13/78/31/290137831.db2.gz GHRBCVDFZDGLLK-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000563423863 290149224 /nfs/dbraw/zinc/14/92/24/290149224.db2.gz PJJYXNNQNWRXOL-CHWSQXEVSA-N 2 0 264.388 2.963 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000563701989 290169128 /nfs/dbraw/zinc/16/91/28/290169128.db2.gz ZMLSWTHXYQMTTA-SHUKQUCYSA-N 2 0 259.397 2.688 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)C1 ZINC000563769975 290173221 /nfs/dbraw/zinc/17/32/21/290173221.db2.gz IPTKKLZLNIAQIV-USXIJHARSA-N 2 0 280.456 2.798 20 0 CFADRP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000563822172 290177121 /nfs/dbraw/zinc/17/71/21/290177121.db2.gz XLTDPYSGJJQBDG-QZTJIDSGSA-N 2 0 292.467 2.848 20 0 CFADRP CC(C)[NH2+]CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000564822299 290236380 /nfs/dbraw/zinc/23/63/80/290236380.db2.gz IOAOPQMLEFPVMI-UHFFFAOYSA-N 2 0 275.440 2.633 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CCC[NH2+]C(C)C)C[C@@H]1OC ZINC000564822357 290236458 /nfs/dbraw/zinc/23/64/58/290236458.db2.gz JFDWGCMLYIFXHT-KBPBESRZSA-N 2 0 256.434 2.558 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564823883 290236544 /nfs/dbraw/zinc/23/65/44/290236544.db2.gz MZCBUHQDYIQOPU-BDXSIMOUSA-N 3 0 295.515 2.865 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471965 290250742 /nfs/dbraw/zinc/25/07/42/290250742.db2.gz CMXSNGXPORUWOK-WXYCVUISSA-N 2 0 262.372 2.946 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000564973418 290254517 /nfs/dbraw/zinc/25/45/17/290254517.db2.gz JLVOIBZBYMAMGI-VYDXJSESSA-N 2 0 274.408 2.528 20 0 CFADRP c1ccc2cc(CC[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000564986413 290255183 /nfs/dbraw/zinc/25/51/83/290255183.db2.gz OEEHMTVARBJJTI-MOPGFXCFSA-N 2 0 280.415 2.924 20 0 CFADRP CC(C)[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000565093628 290266834 /nfs/dbraw/zinc/26/68/34/290266834.db2.gz NSUCJUBSKUMWDP-KRWDZBQOSA-N 2 0 290.476 2.906 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000565225240 290285068 /nfs/dbraw/zinc/28/50/68/290285068.db2.gz RNTDSWHCZHTUKQ-ZNMIVQPWSA-N 2 0 262.397 2.622 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000566091311 290347613 /nfs/dbraw/zinc/34/76/13/290347613.db2.gz WLQJVAZXWULRRJ-GOEBONIOSA-N 2 0 289.423 2.620 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000566109477 290348800 /nfs/dbraw/zinc/34/88/00/290348800.db2.gz QEVKLCNFUVGYGP-SFHVURJKSA-N 2 0 290.451 2.923 20 0 CFADRP CSc1ccc(OCC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000566356311 290374277 /nfs/dbraw/zinc/37/42/77/290374277.db2.gz UTXCPSOOKKIENW-UHFFFAOYSA-N 2 0 294.464 2.848 20 0 CFADRP COc1cc(Cl)ccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000566355617 290374458 /nfs/dbraw/zinc/37/44/58/290374458.db2.gz FLIBMMQTJQITRC-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCCC12CCCC2 ZINC000336814295 292805838 /nfs/dbraw/zinc/80/58/38/292805838.db2.gz FGSPPDWFBOLNJF-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)(C)c1csc(CN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000566482742 290393130 /nfs/dbraw/zinc/39/31/30/290393130.db2.gz QAYBEHKETQCDNQ-MNOVXSKESA-N 2 0 267.442 2.800 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000566484012 290394001 /nfs/dbraw/zinc/39/40/01/290394001.db2.gz ZEDIUUXNZDMTIJ-CQDKDKBSSA-N 2 0 280.387 2.625 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000566843728 290421625 /nfs/dbraw/zinc/42/16/25/290421625.db2.gz SQUZWVBPIBQGDU-LSDHHAIUSA-N 2 0 262.397 2.692 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccncc1 ZINC000567844756 290499129 /nfs/dbraw/zinc/49/91/29/290499129.db2.gz JDWPSAVQNKUKFJ-INIZCTEOSA-N 2 0 261.413 2.854 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1O ZINC000567894736 290503385 /nfs/dbraw/zinc/50/33/85/290503385.db2.gz RHUZVWUCFXRLPN-GFCCVEGCSA-N 2 0 286.375 2.710 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000568415030 290553639 /nfs/dbraw/zinc/55/36/39/290553639.db2.gz DFHBCNLPMBNAPP-ZIAGYGMSSA-N 2 0 260.381 2.544 20 0 CFADRP COC[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122146338 293017752 /nfs/dbraw/zinc/01/77/52/293017752.db2.gz CRFODZZPSDVNHO-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]1C ZINC000423096707 293261633 /nfs/dbraw/zinc/26/16/33/293261633.db2.gz IDHXKFASYGLPBH-MBNYWOFBSA-N 2 0 261.413 2.936 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCC(C)(C)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372112938 297074072 /nfs/dbraw/zinc/07/40/72/297074072.db2.gz LZFZTUZYKQTYJP-IXDOHACOSA-N 2 0 293.499 2.523 20 0 CFADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000333327646 295014319 /nfs/dbraw/zinc/01/43/19/295014319.db2.gz VPFCPHXNAHLNIS-CAEXGNQWSA-N 2 0 279.428 2.591 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c(F)c1 ZINC000045664053 295207408 /nfs/dbraw/zinc/20/74/08/295207408.db2.gz VOCBUWIQUVKVCL-GFCCVEGCSA-N 2 0 268.376 2.827 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCCC2(F)F)CC1 ZINC000423143916 295223836 /nfs/dbraw/zinc/22/38/36/295223836.db2.gz FOCJCNWQVDZYEB-CPCZMJQVSA-N 2 0 260.372 2.919 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1 ZINC000423228848 295236282 /nfs/dbraw/zinc/23/62/82/295236282.db2.gz FMMXLRHRXWCBAS-HSBZDZAISA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000423518658 295237972 /nfs/dbraw/zinc/23/79/72/295237972.db2.gz VCHBXLFCVOXAPK-BFHYXJOUSA-N 2 0 262.397 2.782 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C)(C)CC2)cc1 ZINC000420308913 295240965 /nfs/dbraw/zinc/24/09/65/295240965.db2.gz SNOZHKCZHGAISL-OAHLLOKOSA-N 2 0 276.424 2.860 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423116678 295248805 /nfs/dbraw/zinc/24/88/05/295248805.db2.gz QZJGSEQBAAYRFY-AVGNSLFASA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000250853548 295251138 /nfs/dbraw/zinc/25/11/38/295251138.db2.gz NVQDLMDAHMOYFJ-YESZJQIVSA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423132865 295257075 /nfs/dbraw/zinc/25/70/75/295257075.db2.gz POBDIPUYCIZWCL-GVDBMIGSSA-N 2 0 258.409 2.897 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423099041 295296923 /nfs/dbraw/zinc/29/69/23/295296923.db2.gz ACDXHNAEVYZPIC-GHMZBOCLSA-N 2 0 264.335 2.969 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000423469646 295311752 /nfs/dbraw/zinc/31/17/52/295311752.db2.gz VMFKQCYURLIBFO-MMLUDYIGSA-N 2 0 262.441 2.918 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144799 295325482 /nfs/dbraw/zinc/32/54/82/295325482.db2.gz GFEPKGKNNBDZHB-JGGQBBKZSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422852676 295357554 /nfs/dbraw/zinc/35/75/54/295357554.db2.gz QZQIEIRROYXTNE-GDBMZVCRSA-N 2 0 288.435 2.705 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000088194983 295363326 /nfs/dbraw/zinc/36/33/26/295363326.db2.gz RSYPJRJAQNQAHM-CQSZACIVSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423389361 297108197 /nfs/dbraw/zinc/10/81/97/297108197.db2.gz JKBIIXFUQTUKQM-KCXAZCMYSA-N 2 0 259.397 2.510 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414933952 298385049 /nfs/dbraw/zinc/38/50/49/298385049.db2.gz XJSMGQZUQUDPBY-MXWKQRLJSA-N 2 0 252.324 2.967 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422812842 298963489 /nfs/dbraw/zinc/96/34/89/298963489.db2.gz XBQCHDLOTSGKAH-STQMWFEESA-N 2 0 286.423 2.516 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)C1 ZINC000401032419 300524366 /nfs/dbraw/zinc/52/43/66/300524366.db2.gz QFGFZAIYPBTQPM-GEONZQJFSA-N 2 0 250.430 2.789 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCC[NH3+])CCCO2 ZINC000423327314 301209270 /nfs/dbraw/zinc/20/92/70/301209270.db2.gz MUCLCENDELNQSG-HNNXBMFYSA-N 2 0 262.397 2.846 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[C@H](C)[NH3+])CCCO2 ZINC000423227712 301211907 /nfs/dbraw/zinc/21/19/07/301211907.db2.gz WSDGZOJVVVZWRX-DZGCQCFKSA-N 2 0 262.397 2.844 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000370130254 301743277 /nfs/dbraw/zinc/74/32/77/301743277.db2.gz CNFAQTLZYHBROS-RCCFBDPRSA-N 2 0 290.451 2.533 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C1CCC([NH3+])CC1 ZINC000415075399 302106899 /nfs/dbraw/zinc/10/68/99/302106899.db2.gz FCGIDUFZVPRLIO-UHFFFAOYSA-N 2 0 262.397 2.623 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422738111 302107645 /nfs/dbraw/zinc/10/76/45/302107645.db2.gz JEGSJJMAERVORP-HZPDHXFCSA-N 2 0 276.424 2.871 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCCC2 ZINC000335553487 302887026 /nfs/dbraw/zinc/88/70/26/302887026.db2.gz XQHHAYYTLHSNTM-HNNXBMFYSA-N 2 0 264.800 2.917 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358302463 303126390 /nfs/dbraw/zinc/12/63/90/303126390.db2.gz RAHDVWVLWCZPCB-AVGNSLFASA-N 2 0 258.356 2.781 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335499463 303132105 /nfs/dbraw/zinc/13/21/05/303132105.db2.gz FXPPFBTWGAAGNM-HNNXBMFYSA-N 2 0 276.355 2.549 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cccc2c[nH]nc21)CC1CCCC1 ZINC000352535107 303377829 /nfs/dbraw/zinc/37/78/29/303377829.db2.gz MPRVGDMLTYXTQO-UHFFFAOYSA-N 2 0 286.423 2.904 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000423172675 303402275 /nfs/dbraw/zinc/40/22/75/303402275.db2.gz UQTSORZNEJIITQ-PYNQCMFNSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000250192008 303409077 /nfs/dbraw/zinc/40/90/77/303409077.db2.gz WJXHEJKDCCUDRJ-UHTWSYAYSA-N 2 0 250.411 2.843 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000423498643 303411398 /nfs/dbraw/zinc/41/13/98/303411398.db2.gz HALXJRPREVUNTM-ZLDLUXBVSA-N 2 0 278.371 2.756 20 0 CFADRP O[C@H](C[NH2+][C@H](C1CCC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000424270479 304840768 /nfs/dbraw/zinc/84/07/68/304840768.db2.gz QOMGASMHXJNUPF-MSOLQXFVSA-N 2 0 294.483 2.782 20 0 CFADRP COc1cc(C)nc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414801293 533701056 /nfs/dbraw/zinc/70/10/56/533701056.db2.gz AAMLCPSKNJPFGH-CYBMUJFWSA-N 2 0 285.391 2.708 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000569378509 322469962 /nfs/dbraw/zinc/46/99/62/322469962.db2.gz TWJSOFZVKWWDRD-YYIAUSFCSA-N 2 0 274.408 2.766 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCSCc2ccccc2F)C1 ZINC000570343829 322527735 /nfs/dbraw/zinc/52/77/35/322527735.db2.gz NBSCMXVIDAXUOV-KGLIPLIRSA-N 2 0 282.428 2.918 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000571701109 322593005 /nfs/dbraw/zinc/59/30/05/322593005.db2.gz FZAHNGQIIKJONU-WOSRLPQWSA-N 2 0 295.858 2.802 20 0 CFADRP COc1nc2ccccc2cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000571999928 322603665 /nfs/dbraw/zinc/60/36/65/322603665.db2.gz CAZJJNPMEGPICT-ZDUSSCGKSA-N 2 0 299.418 2.803 20 0 CFADRP CN(CCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000572900125 322636261 /nfs/dbraw/zinc/63/62/61/322636261.db2.gz WNDZTEWGQPBDPT-CVEARBPZSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000573020180 322641418 /nfs/dbraw/zinc/64/14/18/322641418.db2.gz BXUSEQZZWGHUPT-KAHPBISDSA-N 2 0 274.408 2.799 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000573220873 322648968 /nfs/dbraw/zinc/64/89/68/322648968.db2.gz RKQBXQYGTKBLAP-BPUTZDHNSA-N 2 0 284.407 2.793 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000573371483 322653745 /nfs/dbraw/zinc/65/37/45/322653745.db2.gz CXEMQIORFVPUDB-FGTMMUONSA-N 3 0 287.451 2.546 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000573593173 322662146 /nfs/dbraw/zinc/66/21/46/322662146.db2.gz CYJODCUYXGBWMI-ILXRZTDVSA-N 2 0 256.434 2.689 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000574442087 322692685 /nfs/dbraw/zinc/69/26/85/322692685.db2.gz UIOVEQSBVFRQKI-SRABZTEZSA-N 2 0 273.424 2.825 20 0 CFADRP FC(F)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000575894473 322733648 /nfs/dbraw/zinc/73/36/48/322733648.db2.gz DYXUFXBVSBKCPE-GFCCVEGCSA-N 2 0 254.324 2.713 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180508543 323781990 /nfs/dbraw/zinc/78/19/90/323781990.db2.gz OIIQUZVYZVMWBJ-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1(C)C ZINC000181859967 323830341 /nfs/dbraw/zinc/83/03/41/323830341.db2.gz KTIIXMLWZWNRRF-CBBWQLFWSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191825190 324054586 /nfs/dbraw/zinc/05/45/86/324054586.db2.gz CKXQZTDGTPLZMA-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1c[nH+]ccc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191981801 324056052 /nfs/dbraw/zinc/05/60/52/324056052.db2.gz JTXDHXJZZQEPME-GASCZTMLSA-N 2 0 277.412 2.691 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccnn2C)CC1 ZINC000192937107 324066994 /nfs/dbraw/zinc/06/69/94/324066994.db2.gz LJNYKMQSZBINST-OAHLLOKOSA-N 2 0 292.471 2.829 20 0 CFADRP CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211958690 324110283 /nfs/dbraw/zinc/11/02/83/324110283.db2.gz SFCPUSKIDRDXQR-AWEZNQCLSA-N 2 0 258.409 2.954 20 0 CFADRP CC(C)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CC1 ZINC000211942087 324110457 /nfs/dbraw/zinc/11/04/57/324110457.db2.gz XSTJFUJCBRUTSS-UHFFFAOYSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1C ZINC000211948254 324110588 /nfs/dbraw/zinc/11/05/88/324110588.db2.gz JKVGAZDYKWUWGD-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211943266 324110802 /nfs/dbraw/zinc/11/08/02/324110802.db2.gz HRJCGFGFFOWFDR-ZIAGYGMSSA-N 2 0 258.409 2.810 20 0 CFADRP CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211958617 324110870 /nfs/dbraw/zinc/11/08/70/324110870.db2.gz SFCPUSKIDRDXQR-CQSZACIVSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC[C@H]2CCC[N@@H+]2C)C1 ZINC000348268184 324142447 /nfs/dbraw/zinc/14/24/47/324142447.db2.gz RVQWUVQPWUFGBZ-INMHGKMJSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351112722 324314518 /nfs/dbraw/zinc/31/45/18/324314518.db2.gz XHXAEJCAEUTENU-VXGBXAGGSA-N 2 0 297.362 2.757 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2cccnc12 ZINC000576160124 324585051 /nfs/dbraw/zinc/58/50/51/324585051.db2.gz WYOYBBKKGNQDNO-CHWSQXEVSA-N 2 0 257.381 2.759 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Cc1cccs1 ZINC000577231994 324714523 /nfs/dbraw/zinc/71/45/23/324714523.db2.gz TZTOGCWZPURVDB-XQQFMLRXSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cccc3[nH]ccc32)CC1 ZINC000579699552 324971748 /nfs/dbraw/zinc/97/17/48/324971748.db2.gz SCKFSPBSIJBENZ-UHFFFAOYSA-N 2 0 271.408 2.818 20 0 CFADRP C[NH+]1CCC(CC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000580136003 325009499 /nfs/dbraw/zinc/00/94/99/325009499.db2.gz DFYJXRTWUKPRGP-UHFFFAOYSA-N 2 0 272.436 2.723 20 0 CFADRP CC(C)(C)[NH2+]CCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000580194473 325014806 /nfs/dbraw/zinc/01/48/06/325014806.db2.gz POPOSLCJYXCQMC-KRWDZBQOSA-N 2 0 289.467 2.629 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000580249287 325019562 /nfs/dbraw/zinc/01/95/62/325019562.db2.gz ARKIYITXJPNSDL-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000580421650 325034172 /nfs/dbraw/zinc/03/41/72/325034172.db2.gz PNTLZLRDNXDESN-GFCCVEGCSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@H]([NH2+]CCCCn1ccnc1)c1cn2ccccc2n1 ZINC000580465731 325039959 /nfs/dbraw/zinc/03/99/59/325039959.db2.gz URCDOQUAJCHKJJ-AWEZNQCLSA-N 2 0 283.379 2.662 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000580724634 325059757 /nfs/dbraw/zinc/05/97/57/325059757.db2.gz FKNVCVWOFLWPTM-FPMFFAJLSA-N 2 0 250.386 2.769 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]CC3(O)CCC3)CC2)CC1 ZINC000580947604 325076841 /nfs/dbraw/zinc/07/68/41/325076841.db2.gz IEJALVAMGIUDGA-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000581005733 325082090 /nfs/dbraw/zinc/08/20/90/325082090.db2.gz FHPMZXYEYXUJDE-NSHDSACASA-N 2 0 264.438 2.887 20 0 CFADRP F[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000581131669 325093868 /nfs/dbraw/zinc/09/38/68/325093868.db2.gz YLHNNWUMCYZHFF-HIFRSBDPSA-N 2 0 254.393 2.731 20 0 CFADRP CO[C@H](C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581194900 325099232 /nfs/dbraw/zinc/09/92/32/325099232.db2.gz JHFOPFXGXVWBIR-UKRRQHHQSA-N 2 0 296.480 2.845 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000581199842 325100625 /nfs/dbraw/zinc/10/06/25/325100625.db2.gz KEPINWZTJORDKX-YYIAUSFCSA-N 2 0 274.408 2.766 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000581498717 325127655 /nfs/dbraw/zinc/12/76/55/325127655.db2.gz HXIVDFRVMKCEAF-UONOGXRCSA-N 2 0 274.408 2.586 20 0 CFADRP Cc1cccc2c1ccnc2NCC1(N2CCOCC2)CC1 ZINC000581544837 325130814 /nfs/dbraw/zinc/13/08/14/325130814.db2.gz FZWVAWSEMMFIPA-UHFFFAOYSA-N 2 0 297.402 2.820 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000581608608 325136241 /nfs/dbraw/zinc/13/62/41/325136241.db2.gz ZEZPCDKWOYTEGD-MELADBBJSA-N 2 0 292.448 2.647 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc2c(s1)CCCC2 ZINC000581720396 325145503 /nfs/dbraw/zinc/14/55/03/325145503.db2.gz RBXWVUBBUUUJQZ-LLVKDONJSA-N 2 0 252.427 2.844 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000582473966 325208052 /nfs/dbraw/zinc/20/80/52/325208052.db2.gz VBCIBHHDUZGYRE-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000582915922 325245907 /nfs/dbraw/zinc/24/59/07/325245907.db2.gz JCXUEUGPFDQCJV-RZZCCWGQSA-N 3 0 293.499 2.889 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)[C@H](C)O ZINC000583020107 325252872 /nfs/dbraw/zinc/25/28/72/325252872.db2.gz NDWBSFMUNPWYOI-CVEARBPZSA-N 2 0 290.451 2.922 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000583309748 325276828 /nfs/dbraw/zinc/27/68/28/325276828.db2.gz MHHNDFVCBXKIGK-OAHLLOKOSA-N 2 0 262.397 2.565 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000583345070 325279864 /nfs/dbraw/zinc/27/98/64/325279864.db2.gz NRAXNMAARVFAHG-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000583806382 325311602 /nfs/dbraw/zinc/31/16/02/325311602.db2.gz BARYSZSTSXPZJW-GJZGRUSLSA-N 2 0 299.418 2.876 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000583928533 325319028 /nfs/dbraw/zinc/31/90/28/325319028.db2.gz CDRLOYCMEPQBNE-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CCC[NH2+]C(C)C)C2CC2)c1 ZINC000584047133 325326883 /nfs/dbraw/zinc/32/68/83/325326883.db2.gz DJAGWHQSQAFHAL-GOSISDBHSA-N 2 0 290.451 2.994 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000584160139 325334709 /nfs/dbraw/zinc/33/47/09/325334709.db2.gz BQAVNWIXCNJBOW-YOEHRIQHSA-N 2 0 298.434 2.613 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000584463754 329490501 /nfs/dbraw/zinc/49/05/01/329490501.db2.gz OYAAEXQDAGXVPG-KRWDZBQOSA-N 2 0 260.425 2.987 20 0 CFADRP CCCC1CCC([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106484776 330338554 /nfs/dbraw/zinc/33/85/54/330338554.db2.gz DHUQPPYFPSKATD-KLAILNCOSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](COC)C1CC1 ZINC000361924022 520724021 /nfs/dbraw/zinc/72/40/21/520724021.db2.gz MKFUXKUQUMEUKP-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP CCCCOCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000361982278 520759111 /nfs/dbraw/zinc/75/91/11/520759111.db2.gz JOEGZQOUUWHECU-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP CCC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccccc1 ZINC000233358609 521174373 /nfs/dbraw/zinc/17/43/73/521174373.db2.gz JNMMXXKDPVYDIT-CVEARBPZSA-N 2 0 264.413 2.871 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422717432 533733876 /nfs/dbraw/zinc/73/38/76/533733876.db2.gz OMBPZVWAGOZUAM-KGLIPLIRSA-N 2 0 260.425 2.940 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000414849048 533730335 /nfs/dbraw/zinc/73/03/35/533730335.db2.gz HCBHBQLFUDOXMR-TZMCWYRMSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414875571 533769809 /nfs/dbraw/zinc/76/98/09/533769809.db2.gz JXTLJUSMBXHFSZ-QMMMGPOBSA-N 2 0 264.266 2.529 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414873308 533770136 /nfs/dbraw/zinc/77/01/36/533770136.db2.gz GZDDEXVNCTUZDE-QMMMGPOBSA-N 2 0 264.266 2.529 20 0 CFADRP Cc1ccc(CCC2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000414682085 533779266 /nfs/dbraw/zinc/77/92/66/533779266.db2.gz QOGKYAMRQCOMME-UHFFFAOYSA-N 2 0 260.425 2.988 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000414786399 533786030 /nfs/dbraw/zinc/78/60/30/533786030.db2.gz BAJRXZUHDIUHMB-SWLSCSKDSA-N 2 0 282.403 2.586 20 0 CFADRP C[C@H]([NH2+]C1(Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422960846 533792070 /nfs/dbraw/zinc/79/20/70/533792070.db2.gz XXZWSAZEAPNGIN-HOCLYGCPSA-N 2 0 258.409 2.882 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422894414 533792663 /nfs/dbraw/zinc/79/26/63/533792663.db2.gz CBSBGWIPGUFJJZ-ZIAGYGMSSA-N 2 0 282.815 2.887 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000415094463 533803686 /nfs/dbraw/zinc/80/36/86/533803686.db2.gz XOSOGQDSDOUKQB-HZPDHXFCSA-N 2 0 260.425 2.824 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)nc1 ZINC000423168891 533808044 /nfs/dbraw/zinc/80/80/44/533808044.db2.gz VGXXERVFJYPBLX-IRXDYDNUSA-N 2 0 267.376 2.667 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414673918 533839738 /nfs/dbraw/zinc/83/97/38/533839738.db2.gz DBGMYOFCWKLXQT-HZPDHXFCSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cc(F)ccc1F ZINC000422834611 533844916 /nfs/dbraw/zinc/84/49/16/533844916.db2.gz ZVJQCVJVCXNTPO-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876024 533845326 /nfs/dbraw/zinc/84/53/26/533845326.db2.gz FVDANMXPQXQMDL-IXDOHACOSA-N 3 0 283.504 2.852 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422713877 533846946 /nfs/dbraw/zinc/84/69/46/533846946.db2.gz KKIPYCGQCHXFQE-CABCVRRESA-N 2 0 275.440 2.545 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423258051 533865554 /nfs/dbraw/zinc/86/55/54/533865554.db2.gz LIZKKZRKOSVQQV-QWHCGFSZSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422711328 533868293 /nfs/dbraw/zinc/86/82/93/533868293.db2.gz MNUWQNWVNNMYLW-GFCCVEGCSA-N 2 0 252.377 2.820 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423196325 533871298 /nfs/dbraw/zinc/87/12/98/533871298.db2.gz ZJLNMJMKJWQOFN-OLZOCXBDSA-N 2 0 291.414 2.965 20 0 CFADRP C[C@H]([NH2+]CCc1cccc2[nH]ccc21)[C@H]1CCCC[NH2+]1 ZINC000423103933 533873365 /nfs/dbraw/zinc/87/33/65/533873365.db2.gz AXRAJRCIYIMJOQ-XJKSGUPXSA-N 2 0 271.408 2.831 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422813504 533873901 /nfs/dbraw/zinc/87/39/01/533873901.db2.gz ZIYBOSZKNWGQAR-CHWSQXEVSA-N 2 0 289.423 2.813 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414745083 533878093 /nfs/dbraw/zinc/87/80/93/533878093.db2.gz OWZRVGATLWNYKD-KBPBESRZSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000423455412 533885379 /nfs/dbraw/zinc/88/53/79/533885379.db2.gz FBLNDFMKISGTTN-XQQFMLRXSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423140535 533888365 /nfs/dbraw/zinc/88/83/65/533888365.db2.gz YXBAHENKOUIADV-HJWJTTGWSA-N 2 0 258.409 2.910 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1OC(C)C ZINC000414792492 533906495 /nfs/dbraw/zinc/90/64/95/533906495.db2.gz IZSVCYQCMYLJGG-GJZGRUSLSA-N 2 0 292.423 2.699 20 0 CFADRP C[C@@H]1C[C@H](NCC2([NH3+])CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414882767 533942663 /nfs/dbraw/zinc/94/26/63/533942663.db2.gz UHUIETOGEGMOLG-NVXWUHKLSA-N 2 0 287.451 2.511 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1C(C)(C)C ZINC000423247251 533943613 /nfs/dbraw/zinc/94/36/13/533943613.db2.gz KWQSBWGTNWHHIX-TZMCWYRMSA-N 2 0 278.444 2.597 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823108 533952568 /nfs/dbraw/zinc/95/25/68/533952568.db2.gz AYNOOWTURDKXBG-BIYNOUFRSA-N 2 0 274.408 2.686 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422841728 533961831 /nfs/dbraw/zinc/96/18/31/533961831.db2.gz WSQTVNMCPOEFEJ-VDHUWJSZSA-N 2 0 287.451 2.509 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH2+]CC1 ZINC000423191014 533983308 /nfs/dbraw/zinc/98/33/08/533983308.db2.gz UABDMBWMYLVVHX-LLVKDONJSA-N 2 0 268.351 2.628 20 0 CFADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1C[NH2+]C1 ZINC000423304719 533984902 /nfs/dbraw/zinc/98/49/02/533984902.db2.gz OZHHSVMGXIRRIB-LLVKDONJSA-N 2 0 286.341 2.836 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414821682 533988524 /nfs/dbraw/zinc/98/85/24/533988524.db2.gz BNUNYCPHKFKFLW-UKRRQHHQSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415035095 533991051 /nfs/dbraw/zinc/99/10/51/533991051.db2.gz KMZYTDIBIAWYCI-HYVNUMGLSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414841687 534000376 /nfs/dbraw/zinc/00/03/76/534000376.db2.gz YMZLIDQDADAVRH-OLZOCXBDSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414840222 534003506 /nfs/dbraw/zinc/00/35/06/534003506.db2.gz YGTRAGOWVIIREE-OCCSQVGLSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000415108815 534054904 /nfs/dbraw/zinc/05/49/04/534054904.db2.gz PDSUZEBNJDZROG-PKSQDBQZSA-N 2 0 268.351 2.928 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414850133 534057162 /nfs/dbraw/zinc/05/71/62/534057162.db2.gz YUCDIMIRBLYXAA-KBPBESRZSA-N 2 0 264.388 2.909 20 0 CFADRP C[C@@H](C[NH2+]CCCC[NH3+])c1cccc(Br)c1 ZINC000414896855 534057265 /nfs/dbraw/zinc/05/72/65/534057265.db2.gz AJXOIQCCTXBABM-NSHDSACASA-N 2 0 285.229 2.881 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000414853308 534059281 /nfs/dbraw/zinc/05/92/81/534059281.db2.gz RVACMFZRMUBSKH-CYBMUJFWSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422827436 534071320 /nfs/dbraw/zinc/07/13/20/534071320.db2.gz DRNLJDBCFTYIPD-RHSMWYFYSA-N 2 0 294.414 2.962 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422799129 534074709 /nfs/dbraw/zinc/07/47/09/534074709.db2.gz VIJITECTWSOFOB-DGCLKSJQSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1F)C[NH+](C)C ZINC000425943831 534076855 /nfs/dbraw/zinc/07/68/55/534076855.db2.gz KATPEEYGACVZLV-KBPBESRZSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000414920931 534084940 /nfs/dbraw/zinc/08/49/40/534084940.db2.gz ZMGUVCVOGUSZCR-WFASDCNBSA-N 2 0 250.361 2.661 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000425339755 534117164 /nfs/dbraw/zinc/11/71/64/534117164.db2.gz CYNBQYQGVDZUFD-CABCVRRESA-N 2 0 264.438 2.732 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000414907515 534133898 /nfs/dbraw/zinc/13/38/98/534133898.db2.gz ANDVTFQIMJUZBF-DDBAPUKQSA-N 2 0 287.451 2.681 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000193124158 534145578 /nfs/dbraw/zinc/14/55/78/534145578.db2.gz CKJAMTGQNJGFAV-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1C(F)(F)F ZINC000414768446 534166563 /nfs/dbraw/zinc/16/65/63/534166563.db2.gz HZPPHSMHYSJJLH-UHFFFAOYSA-N 2 0 272.314 2.935 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842082 534176103 /nfs/dbraw/zinc/17/61/03/534176103.db2.gz XNOPITOLLBIIAU-OBJOEFQTSA-N 2 0 281.831 2.634 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000423100880 534176631 /nfs/dbraw/zinc/17/66/31/534176631.db2.gz CCOCWUYBNREYIU-KUDNYVPYSA-N 2 0 298.377 2.980 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000422939343 534176770 /nfs/dbraw/zinc/17/67/70/534176770.db2.gz RCLMSMVPCPYNTA-XJKSGUPXSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1 ZINC000414885065 534187263 /nfs/dbraw/zinc/18/72/63/534187263.db2.gz GAHYXHSHJHGQFJ-ZACQAIPSSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCNc1ccccn1 ZINC000422834812 534200743 /nfs/dbraw/zinc/20/07/43/534200743.db2.gz OHBMEZNKGHKMRP-HOTGVXAUSA-N 2 0 290.455 2.784 20 0 CFADRP CSc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423099823 534200757 /nfs/dbraw/zinc/20/07/57/534200757.db2.gz UIXJRHDAJQNUHY-YIONKMFJSA-N 2 0 276.449 2.824 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414907511 534203437 /nfs/dbraw/zinc/20/34/37/534203437.db2.gz QQXWINXFYCQLJF-SFHVURJKSA-N 2 0 298.434 2.864 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882698 534230887 /nfs/dbraw/zinc/23/08/87/534230887.db2.gz CEWBVDKSORKRHV-HZMBPMFUSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH3+] ZINC000423331378 534249333 /nfs/dbraw/zinc/24/93/33/534249333.db2.gz QGMVXJSKEFXIMY-NSHDSACASA-N 2 0 274.330 2.965 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423429771 534335995 /nfs/dbraw/zinc/33/59/95/534335995.db2.gz KOJPGYHFZKJRDY-WDEREUQCSA-N 2 0 284.425 2.703 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423330184 534338483 /nfs/dbraw/zinc/33/84/83/534338483.db2.gz NIVJVPHYGKDFPL-NSHDSACASA-N 2 0 296.436 2.575 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423282092 534338745 /nfs/dbraw/zinc/33/87/45/534338745.db2.gz UVUMNLKBFIBHKF-LOWVWBTDSA-N 2 0 296.436 2.703 20 0 CFADRP C(C1CCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834723 518381500 /nfs/dbraw/zinc/38/15/00/518381500.db2.gz CVWRPZRTTIEUNQ-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccccc1 ZINC000422749582 534350800 /nfs/dbraw/zinc/35/08/00/534350800.db2.gz ZUEMXVVXZCYHQB-CYBMUJFWSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOCc1ccccc1 ZINC000422823763 534351022 /nfs/dbraw/zinc/35/10/22/534351022.db2.gz MDQDBCYHWMQGBO-CQSZACIVSA-N 2 0 299.418 2.716 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227913108 519211734 /nfs/dbraw/zinc/21/17/34/519211734.db2.gz MMSQHYFZBIMKMM-CABCVRRESA-N 2 0 262.397 2.520 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000158029191 519672479 /nfs/dbraw/zinc/67/24/79/519672479.db2.gz UWHTWWMZFFNNRM-CQSZACIVSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000300688202 519760888 /nfs/dbraw/zinc/76/08/88/519760888.db2.gz REFXWMOLYIIJQC-ARFHVFGLSA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)OCCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000224965521 519761396 /nfs/dbraw/zinc/76/13/96/519761396.db2.gz SZJHTSQLTZTYCG-CVEARBPZSA-N 2 0 262.397 2.926 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000085399706 519762081 /nfs/dbraw/zinc/76/20/81/519762081.db2.gz XFYKOVLMJVDAQO-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000066152412 519764348 /nfs/dbraw/zinc/76/43/48/519764348.db2.gz RSCYANDHWNIJMM-MRXNPFEDSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC000070359142 519805771 /nfs/dbraw/zinc/80/57/71/519805771.db2.gz VWTWXWIDXGIRFK-ZACQAIPSSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCO1 ZINC000225588559 519827235 /nfs/dbraw/zinc/82/72/35/519827235.db2.gz KBUCPSNWTPIZNK-LSDHHAIUSA-N 2 0 256.434 2.510 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2OCCc3ccccc32)CC1 ZINC000071090924 519847133 /nfs/dbraw/zinc/84/71/33/519847133.db2.gz ZHDDQZZCSLNKIR-GOSISDBHSA-N 2 0 288.435 2.764 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)C)CC1 ZINC000062734833 519860310 /nfs/dbraw/zinc/86/03/10/519860310.db2.gz RCNLIDJJJQFKJK-UHFFFAOYSA-N 2 0 289.467 2.964 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCc2ccccc2)CC1 ZINC000053659007 519914649 /nfs/dbraw/zinc/91/46/49/519914649.db2.gz QOUHFFANFMIRDU-UHFFFAOYSA-N 2 0 260.425 2.941 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000414903723 534460863 /nfs/dbraw/zinc/46/08/63/534460863.db2.gz KMDZPVWCFYYBEJ-XYHHVPKHSA-N 2 0 266.335 2.710 20 0 CFADRP Fc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c2ncccc12 ZINC000414978643 534464018 /nfs/dbraw/zinc/46/40/18/534464018.db2.gz UBPNNOWIITZCJL-CQSZACIVSA-N 2 0 287.382 2.996 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)ccc2n1 ZINC000097862606 534466256 /nfs/dbraw/zinc/46/62/56/534466256.db2.gz BFDYSTIHFLQHKQ-HNNXBMFYSA-N 2 0 269.392 2.714 20 0 CFADRP CCCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000361868881 520183427 /nfs/dbraw/zinc/18/34/27/520183427.db2.gz PHJXRZPMTDVLIJ-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP Fc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786093 534478083 /nfs/dbraw/zinc/47/80/83/534478083.db2.gz UBVKNIYZTSOOKX-CHWSQXEVSA-N 2 0 280.362 2.786 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337141 534490267 /nfs/dbraw/zinc/49/02/67/534490267.db2.gz HJCWMTFUFRTAGI-DLBZAZTESA-N 2 0 274.383 2.971 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)C1(C)C ZINC000085379478 520547497 /nfs/dbraw/zinc/54/74/97/520547497.db2.gz QRLVERLQBCFXQC-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423255084 534500536 /nfs/dbraw/zinc/50/05/36/534500536.db2.gz ASEHMGQBRLDBGU-QAPCUYQASA-N 2 0 296.418 2.545 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCCC2 ZINC000085677614 520574428 /nfs/dbraw/zinc/57/44/28/520574428.db2.gz DYJPAARSWWBFPS-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423146141 534502774 /nfs/dbraw/zinc/50/27/74/534502774.db2.gz ODZMRGZOHJHBKG-ICIURTGMSA-N 2 0 274.433 2.749 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000340032991 520584815 /nfs/dbraw/zinc/58/48/15/520584815.db2.gz HVSDTBQCJKXGJW-INIZCTEOSA-N 2 0 294.487 2.897 20 0 CFADRP CC[NH+](CC)CCCN1CCC([NH2+]C2CCCC2)CC1 ZINC000365176662 520604374 /nfs/dbraw/zinc/60/43/74/520604374.db2.gz BCQOLEIFXQTCDD-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354208114 520625478 /nfs/dbraw/zinc/62/54/78/520625478.db2.gz NYHUGNDAGAZLOO-HOTGVXAUSA-N 2 0 298.471 2.915 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)OC(C)C ZINC000360947140 520725173 /nfs/dbraw/zinc/72/51/73/520725173.db2.gz LLWYIHHWONATKL-JKSUJKDBSA-N 2 0 298.471 2.818 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000360439778 520728855 /nfs/dbraw/zinc/72/88/55/520728855.db2.gz ZHITUQYSFAWVIQ-KRWDZBQOSA-N 2 0 275.440 2.678 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000336832499 520750885 /nfs/dbraw/zinc/75/08/85/520750885.db2.gz FNRMUQLQWGELBE-OAHLLOKOSA-N 3 0 277.456 2.745 20 0 CFADRP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422940122 534524759 /nfs/dbraw/zinc/52/47/59/534524759.db2.gz ISIDEWMDENKRNN-GVDBMIGSSA-N 2 0 292.398 2.715 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000227419248 521094940 /nfs/dbraw/zinc/09/49/40/521094940.db2.gz MAOXJCWCVNZSDP-WCXIOVBPSA-N 2 0 282.472 2.686 20 0 CFADRP [NH3+]C1(C[NH2+]CCCCCOc2ccccc2)CCC1 ZINC000414877358 534549111 /nfs/dbraw/zinc/54/91/11/534549111.db2.gz MQEWEBRAIJOKIG-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414903075 534553932 /nfs/dbraw/zinc/55/39/32/534553932.db2.gz LKJNDSSOACLRFN-UHFFFAOYSA-N 2 0 298.434 2.864 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC000361464348 521497628 /nfs/dbraw/zinc/49/76/28/521497628.db2.gz JBFDUJPMVOQORZ-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000245512754 521685575 /nfs/dbraw/zinc/68/55/75/521685575.db2.gz AVOGBTLHWJXYMP-KZNAEPCWSA-N 2 0 295.515 2.676 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000245512753 521685797 /nfs/dbraw/zinc/68/57/97/521685797.db2.gz AVOGBTLHWJXYMP-KURKYZTESA-N 2 0 295.515 2.676 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000155735276 521691315 /nfs/dbraw/zinc/69/13/15/521691315.db2.gz KGTADSDNKNEVEY-IRXDYDNUSA-N 2 0 289.467 2.672 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000155712235 521692149 /nfs/dbraw/zinc/69/21/49/521692149.db2.gz IGFPFIXHJMEGNT-LSDHHAIUSA-N 2 0 293.430 2.502 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000155552976 521694721 /nfs/dbraw/zinc/69/47/21/521694721.db2.gz PRYJKQIDQADSSG-HUUCEWRRSA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2C(C)(C)C2(C)C)C1 ZINC000354164634 521711655 /nfs/dbraw/zinc/71/16/55/521711655.db2.gz PLPOZSIRSQFVNB-OLZOCXBDSA-N 2 0 252.446 2.989 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000245431520 521713091 /nfs/dbraw/zinc/71/30/91/521713091.db2.gz OBTFWAGREUXOET-DOTOQJQBSA-N 2 0 260.425 2.891 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC000422708341 534594076 /nfs/dbraw/zinc/59/40/76/534594076.db2.gz BSOXFAXPMXKRFN-UHFFFAOYSA-N 2 0 282.815 2.826 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000261995531 521984830 /nfs/dbraw/zinc/98/48/30/521984830.db2.gz NMDKJAKXSOCJBM-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423316508 534605047 /nfs/dbraw/zinc/60/50/47/534605047.db2.gz BSVKECTYRWORPG-HNNXBMFYSA-N 2 0 266.816 2.990 20 0 CFADRP CC[C@H](CCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000159090765 522162471 /nfs/dbraw/zinc/16/24/71/522162471.db2.gz PFDZVIUREASFCG-CQSZACIVSA-N 2 0 268.445 2.534 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423183777 534616048 /nfs/dbraw/zinc/61/60/48/534616048.db2.gz HPNCXMPBZXDXJM-TZMCWYRMSA-N 2 0 252.789 2.915 20 0 CFADRP COc1cc(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000193042507 522243374 /nfs/dbraw/zinc/24/33/74/522243374.db2.gz COCWVEMILYBWNP-MQVJKMGUSA-N 2 0 274.408 2.718 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)C(C)C ZINC000234736366 522289706 /nfs/dbraw/zinc/28/97/06/522289706.db2.gz VFJKZYCQGICPNR-CVEARBPZSA-N 2 0 264.413 2.727 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000195138681 522357420 /nfs/dbraw/zinc/35/74/20/522357420.db2.gz WHDCQWGODSOBBY-FUHWJXTLSA-N 2 0 288.435 2.523 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000166050012 522575908 /nfs/dbraw/zinc/57/59/08/522575908.db2.gz WKBLPSGBJBZVKK-HNNXBMFYSA-N 2 0 279.403 2.993 20 0 CFADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccn(C)n1 ZINC000340475769 522582022 /nfs/dbraw/zinc/58/20/22/522582022.db2.gz NMHZZUWOEWWRDW-HNNXBMFYSA-N 2 0 278.444 2.727 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Cl)c1 ZINC000231786881 522592811 /nfs/dbraw/zinc/59/28/11/522592811.db2.gz VDGXQEUQTPDCHS-HNNXBMFYSA-N 2 0 284.831 2.959 20 0 CFADRP COC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000361555044 522608585 /nfs/dbraw/zinc/60/85/85/522608585.db2.gz WUHNKPOOTXZEIJ-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000234699879 522668631 /nfs/dbraw/zinc/66/86/31/522668631.db2.gz SUTUBDUYNIPZJS-DOTOQJQBSA-N 2 0 288.391 2.713 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353525991 522689615 /nfs/dbraw/zinc/68/96/15/522689615.db2.gz ZRBAMEUAOKCCNA-ADKAHSJRSA-N 2 0 290.451 2.707 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1cccs1 ZINC000233897370 522920720 /nfs/dbraw/zinc/92/07/20/522920720.db2.gz XOGZLZJMBRPUOF-NWDGAFQWSA-N 2 0 256.415 2.543 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000084385199 522938174 /nfs/dbraw/zinc/93/81/74/522938174.db2.gz LXQYGLANFLOCNY-SNVBAGLBSA-N 2 0 258.818 2.833 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000088555259 523043299 /nfs/dbraw/zinc/04/32/99/523043299.db2.gz ZNJKXULBTCFIMB-MRXNPFEDSA-N 2 0 262.397 2.536 20 0 CFADRP CN1CCC([NH+]2CCC(CC[NH2+]CC(C)(C)C)CC2)CC1 ZINC000363660205 523766879 /nfs/dbraw/zinc/76/68/79/523766879.db2.gz CXOKAHQDFXHRNE-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccc2)C1 ZINC000363459526 523846212 /nfs/dbraw/zinc/84/62/12/523846212.db2.gz NRBJNGJUJKPHAH-RDJZCZTQSA-N 2 0 274.408 2.624 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000374613287 523846522 /nfs/dbraw/zinc/84/65/22/523846522.db2.gz OHEXDHBNPDYRJA-RDJZCZTQSA-N 2 0 292.398 2.763 20 0 CFADRP Cc1ncc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)s1 ZINC000414812805 534740862 /nfs/dbraw/zinc/74/08/62/534740862.db2.gz RUTRZBLHOKFWAG-JTQLQIEISA-N 2 0 261.394 2.761 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193937051 524046693 /nfs/dbraw/zinc/04/66/93/524046693.db2.gz HOOIRPCDUXLHEZ-RBSFLKMASA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000360963955 524046748 /nfs/dbraw/zinc/04/67/48/524046748.db2.gz JKFOULJAZYOGAP-OWCLPIDISA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000149228446 524047215 /nfs/dbraw/zinc/04/72/15/524047215.db2.gz VNDJTHQXQPBXAF-HNNXBMFYSA-N 2 0 264.388 2.990 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000360859613 524052919 /nfs/dbraw/zinc/05/29/19/524052919.db2.gz NVZOXGOXUHQZIL-UHFFFAOYSA-N 3 0 281.488 2.715 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[Si](C)(C)C)CC1 ZINC000366663914 524120912 /nfs/dbraw/zinc/12/09/12/524120912.db2.gz RKMQLBHIXBTVPH-ZDUSSCGKSA-N 2 0 254.494 2.813 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000168630214 524172663 /nfs/dbraw/zinc/17/26/63/524172663.db2.gz PZTDVQNMRHXIHE-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163825672 524177623 /nfs/dbraw/zinc/17/76/23/524177623.db2.gz XLUFATSAMJLGBE-GOEBONIOSA-N 2 0 276.424 2.599 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000361162236 524223198 /nfs/dbraw/zinc/22/31/98/524223198.db2.gz ALIAXNGPKLSTFZ-INIZCTEOSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000246045224 524264029 /nfs/dbraw/zinc/26/40/29/524264029.db2.gz XOERMRBYJFNXIP-DLBZAZTESA-N 2 0 292.471 2.763 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000360623735 524264123 /nfs/dbraw/zinc/26/41/23/524264123.db2.gz AZIVOPPMZYXREV-CQSZACIVSA-N 2 0 298.434 2.736 20 0 CFADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1n1ccnc1 ZINC000161954468 524288178 /nfs/dbraw/zinc/28/81/78/524288178.db2.gz SRBARAZSXLVZCC-IRXDYDNUSA-N 2 0 290.455 2.642 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335042687 524311350 /nfs/dbraw/zinc/31/13/50/524311350.db2.gz UMKBUBDDIFZBKZ-YJBOKZPZSA-N 2 0 287.451 2.633 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(Br)c1 ZINC000164114696 524436823 /nfs/dbraw/zinc/43/68/23/524436823.db2.gz XUFVXGKOTISNFG-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)s1 ZINC000353531815 524439722 /nfs/dbraw/zinc/43/97/22/524439722.db2.gz PJUCPFFIVYPOGT-UHFFFAOYSA-N 2 0 282.453 2.599 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOc1ccccc1 ZINC000310912106 524454014 /nfs/dbraw/zinc/45/40/14/524454014.db2.gz QXEIUPQYBJRUQL-AWEZNQCLSA-N 2 0 250.386 2.563 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1Br ZINC000309401808 524456652 /nfs/dbraw/zinc/45/66/52/524456652.db2.gz JENNMHBIAVANKA-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Br)cc1 ZINC000309232464 524457667 /nfs/dbraw/zinc/45/76/67/524457667.db2.gz IWKRKGKFIYCXSR-NSHDSACASA-N 2 0 285.229 2.709 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000361792709 524498819 /nfs/dbraw/zinc/49/88/19/524498819.db2.gz PWVZXLZDTZNAGW-BFQNTYOBSA-N 2 0 282.378 2.998 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000360882616 524563175 /nfs/dbraw/zinc/56/31/75/524563175.db2.gz HZDCURZQOAEUDC-BLLLJJGKSA-N 2 0 289.398 2.779 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000334867972 524599222 /nfs/dbraw/zinc/59/92/22/524599222.db2.gz HEMQUAGGLXMXTH-DGCLKSJQSA-N 2 0 252.789 2.879 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000335023375 524609582 /nfs/dbraw/zinc/60/95/82/524609582.db2.gz GZEOWGKGFICAQT-WFASDCNBSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415020584 534801413 /nfs/dbraw/zinc/80/14/13/534801413.db2.gz JNRRVUIOOYJUEE-GFCCVEGCSA-N 2 0 290.386 2.537 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000422908254 534802753 /nfs/dbraw/zinc/80/27/53/534802753.db2.gz MOZSOJDIESFFSB-CHWSQXEVSA-N 2 0 267.442 2.504 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192827369 524706940 /nfs/dbraw/zinc/70/69/40/524706940.db2.gz WHICWQXGIUQCJP-OHRKKDJYSA-N 2 0 274.408 2.538 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc2cccnc12 ZINC000334839920 524711614 /nfs/dbraw/zinc/71/16/14/524711614.db2.gz UFQUSVQVCALSTK-DZGCQCFKSA-N 2 0 269.392 2.712 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335026835 524723873 /nfs/dbraw/zinc/72/38/73/524723873.db2.gz BHXVEJOOADTMBQ-BDJLRTHQSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335026836 524724674 /nfs/dbraw/zinc/72/46/74/524724674.db2.gz BHXVEJOOADTMBQ-BZNIZROVSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000340690825 524727204 /nfs/dbraw/zinc/72/72/04/524727204.db2.gz MTZXODVTAPSVMY-NVXWUHKLSA-N 2 0 258.409 2.551 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339414953 524843818 /nfs/dbraw/zinc/84/38/18/524843818.db2.gz JXVZLGFQUBURKJ-WMLDXEAASA-N 2 0 288.435 2.613 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000129066309 524853618 /nfs/dbraw/zinc/85/36/18/524853618.db2.gz FGEJHUDLMFMEPF-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000312159658 524897549 /nfs/dbraw/zinc/89/75/49/524897549.db2.gz MLEBDDBTXDCWKP-CJNGLKHVSA-N 2 0 269.392 2.665 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000334864573 524923399 /nfs/dbraw/zinc/92/33/99/524923399.db2.gz QJXVOPDNNGBXKO-GXFFZTMASA-N 2 0 283.213 2.679 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H]3C=CCCC3)CC2)C[C@@H](C)O1 ZINC000246276488 524939071 /nfs/dbraw/zinc/93/90/71/524939071.db2.gz RRNMFSSDKFNECE-JFIYKMOQSA-N 2 0 292.467 2.916 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000086333566 524993680 /nfs/dbraw/zinc/99/36/80/524993680.db2.gz NYFNJMFUQCLJOK-SECBINFHSA-N 2 0 258.818 2.961 20 0 CFADRP Cc1cc(N(C)C2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000365058762 525027543 /nfs/dbraw/zinc/02/75/43/525027543.db2.gz OCMNVQYTUSQQEY-UHFFFAOYSA-N 2 0 296.418 2.886 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1cc(Br)cs1 ZINC000229851385 525332201 /nfs/dbraw/zinc/33/22/01/525332201.db2.gz PVLBYXPFSKADJE-QMMMGPOBSA-N 2 0 277.231 2.900 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423289497 534844000 /nfs/dbraw/zinc/84/40/00/534844000.db2.gz BDUTUXPQZQARMO-VXGBXAGGSA-N 2 0 272.396 2.599 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000230676995 525272285 /nfs/dbraw/zinc/27/22/85/525272285.db2.gz JJJBFWVJYSMSKR-DOMZBBRYSA-N 2 0 257.381 2.740 20 0 CFADRP C[C@]1([NH3+])CCCC[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262044724 525288614 /nfs/dbraw/zinc/28/86/14/525288614.db2.gz PPSPXJZZQBFDLH-BBRMVZONSA-N 2 0 286.379 2.570 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000157959332 525335384 /nfs/dbraw/zinc/33/53/84/525335384.db2.gz ZDSYDLNGZLHCKQ-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360907246 525413431 /nfs/dbraw/zinc/41/34/31/525413431.db2.gz WIVMOUBZIZKYMW-NVXWUHKLSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)ccc2F)CC[N@@H+]1C ZINC000157199688 525439162 /nfs/dbraw/zinc/43/91/62/525439162.db2.gz DOSYEMRGTNJMAI-BXUZGUMPSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000231787031 525453990 /nfs/dbraw/zinc/45/39/90/525453990.db2.gz YOFFQEHDLIZWMB-GFCCVEGCSA-N 2 0 270.804 2.569 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000335006568 525830942 /nfs/dbraw/zinc/83/09/42/525830942.db2.gz HRXKQVIGRQSDIJ-CVEARBPZSA-N 2 0 262.372 2.874 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334866540 525843917 /nfs/dbraw/zinc/84/39/17/525843917.db2.gz XMPDDRHPIJQIQY-GDBMZVCRSA-N 2 0 294.464 2.775 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334866551 525844782 /nfs/dbraw/zinc/84/47/82/525844782.db2.gz XMPDDRHPIJQIQY-ZBFHGGJFSA-N 2 0 294.464 2.775 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000344306624 525917899 /nfs/dbraw/zinc/91/78/99/525917899.db2.gz QSTLKZKLLWITMM-LBPRGKRZSA-N 2 0 250.411 2.969 20 0 CFADRP Cc1cnc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000336215712 526022399 /nfs/dbraw/zinc/02/23/99/526022399.db2.gz COLKNENRPLURFF-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000192025309 526076231 /nfs/dbraw/zinc/07/62/31/526076231.db2.gz SNZWDLZOPHNWCI-MRXNPFEDSA-N 2 0 298.434 2.564 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979805 526080914 /nfs/dbraw/zinc/08/09/14/526080914.db2.gz ISRXJECKJMWEDB-HIFRSBDPSA-N 2 0 292.398 2.574 20 0 CFADRP Cc1ccc2cc(C[NH2+]C3(C)CC[NH2+]CC3)ccc2n1 ZINC000335171238 526231402 /nfs/dbraw/zinc/23/14/02/526231402.db2.gz JGAFYDUPAAUHRY-UHFFFAOYSA-N 2 0 269.392 2.775 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)ccc2n1 ZINC000334868476 526232685 /nfs/dbraw/zinc/23/26/85/526232685.db2.gz KAGVRKGHMBZBSR-CZUORRHYSA-N 2 0 269.392 2.773 20 0 CFADRP Fc1cc(F)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000157032779 526307621 /nfs/dbraw/zinc/30/76/21/526307621.db2.gz DHBSSJRNWBLTGR-MRXNPFEDSA-N 2 0 280.362 2.929 20 0 CFADRP Cc1csc(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000192809209 526338962 /nfs/dbraw/zinc/33/89/62/526338962.db2.gz ZGUIEDBGDKZNFR-GOOCMWNKSA-N 2 0 293.480 2.989 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCSC3)C2)cc1 ZINC000192922832 526469614 /nfs/dbraw/zinc/46/96/14/526469614.db2.gz SAYQGLPKAPYWCO-JKSUJKDBSA-N 2 0 276.449 2.604 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000309707228 526471088 /nfs/dbraw/zinc/47/10/88/526471088.db2.gz IFBDOVPSFYTOBP-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP c1ccc2ncc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2c1 ZINC000336293641 526518933 /nfs/dbraw/zinc/51/89/33/526518933.db2.gz VEXMOXAXDYVSGS-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP c1cnc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2c1 ZINC000336380920 526543816 /nfs/dbraw/zinc/54/38/16/526543816.db2.gz UMYCYGXHTQWPKC-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP c1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867997 526579621 /nfs/dbraw/zinc/57/96/21/526579621.db2.gz HNRUZLZEYQBCSW-GXTWGEPZSA-N 2 0 250.411 2.712 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336128345 526626947 /nfs/dbraw/zinc/62/69/47/526626947.db2.gz YAWLAWUUSKESFR-UHFFFAOYSA-N 2 0 297.402 2.917 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422756714 526684860 /nfs/dbraw/zinc/68/48/60/526684860.db2.gz HWVCQNQVFALVTL-SRXPKIRMSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000049538765 526744208 /nfs/dbraw/zinc/74/42/08/526744208.db2.gz AQJCSEFBHLKNLP-BXKDBHETSA-N 2 0 253.415 2.553 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000360997479 527030179 /nfs/dbraw/zinc/03/01/79/527030179.db2.gz NEELJWDUGZHXEK-LLVKDONJSA-N 2 0 279.453 2.977 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1F ZINC000422857259 527176821 /nfs/dbraw/zinc/17/68/21/527176821.db2.gz YDSXANVWQOEAGV-IUODEOHRSA-N 2 0 264.388 2.820 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000422753915 527180126 /nfs/dbraw/zinc/18/01/26/527180126.db2.gz FLFYUXARMWPYID-WFASDCNBSA-N 2 0 264.388 2.820 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150283427 527232599 /nfs/dbraw/zinc/23/25/99/527232599.db2.gz XBAXBFUKKBOEBG-GFCCVEGCSA-N 2 0 254.324 2.795 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423290208 527260180 /nfs/dbraw/zinc/26/01/80/527260180.db2.gz ZOSHIADVAPLBLM-LSDHHAIUSA-N 2 0 276.424 2.697 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335023232 527341906 /nfs/dbraw/zinc/34/19/06/527341906.db2.gz PPLHKWNPHIDDSD-WBVHZDCISA-N 2 0 269.392 2.984 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000334866278 527348588 /nfs/dbraw/zinc/34/85/88/527348588.db2.gz UZVVCJMTPGWCFS-IAGOWNOFSA-N 2 0 292.398 2.544 20 0 CFADRP Cc1nccn1CCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000162046095 527392592 /nfs/dbraw/zinc/39/25/92/527392592.db2.gz ALAQURDJFDYGHM-QGZVFWFLSA-N 2 0 292.471 2.778 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000334866271 527402153 /nfs/dbraw/zinc/40/21/53/527402153.db2.gz UZVVCJMTPGWCFS-DLBZAZTESA-N 2 0 292.398 2.544 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423268912 527484694 /nfs/dbraw/zinc/48/46/94/527484694.db2.gz FFFHERMHMFVYED-IRXDYDNUSA-N 2 0 279.472 2.515 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423268910 527484841 /nfs/dbraw/zinc/48/48/41/527484841.db2.gz FFFHERMHMFVYED-IAGOWNOFSA-N 2 0 279.472 2.515 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000336399669 527569101 /nfs/dbraw/zinc/56/91/01/527569101.db2.gz GMUFIDQJNORNHB-CYBMUJFWSA-N 2 0 270.380 2.808 20 0 CFADRP CC(C)C1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422989584 527636556 /nfs/dbraw/zinc/63/65/56/527636556.db2.gz LWPRYYUEHLKNMZ-PYVGIJRLSA-N 2 0 282.472 2.791 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422897349 527646407 /nfs/dbraw/zinc/64/64/07/527646407.db2.gz ZQRLMKHFLDESCG-YXYCDRMUSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422711711 527672056 /nfs/dbraw/zinc/67/20/56/527672056.db2.gz FXGUFSKNDGOWSQ-AWEZNQCLSA-N 2 0 291.439 2.888 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422829398 527724900 /nfs/dbraw/zinc/72/49/00/527724900.db2.gz BYGRAWCQYAUYPU-WMZOPIPTSA-N 3 0 295.515 2.722 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422838537 527725553 /nfs/dbraw/zinc/72/55/53/527725553.db2.gz OSDQPMAYSWOFCD-ZWKOTPCHSA-N 3 0 295.515 2.852 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000414112011 527725840 /nfs/dbraw/zinc/72/58/40/527725840.db2.gz MTMWCHYENHNAEH-HNNXBMFYSA-N 2 0 292.471 2.829 20 0 CFADRP CCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000422806041 527752061 /nfs/dbraw/zinc/75/20/61/527752061.db2.gz HQMSRFCDTHPZOY-RDJZCZTQSA-N 2 0 290.451 2.741 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OCC2CC2)[C@@H](C)C1 ZINC000414263556 527799131 /nfs/dbraw/zinc/79/91/31/527799131.db2.gz KEMSJRWOLPOYGM-DZGCQCFKSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799900 527843226 /nfs/dbraw/zinc/84/32/26/527843226.db2.gz AGZVVSDCNNNARG-CAOSSQGBSA-N 2 0 280.456 2.844 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@@H]1Oc1ccccc1 ZINC000423247094 527868137 /nfs/dbraw/zinc/86/81/37/527868137.db2.gz KRTDUBYTBRCWGU-UAGQMJEPSA-N 2 0 288.435 2.822 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])C[C@H]1Oc1ccccc1 ZINC000423338101 527868736 /nfs/dbraw/zinc/86/87/36/527868736.db2.gz VQYBKYSSRNFURL-HUUCEWRRSA-N 2 0 262.397 2.561 20 0 CFADRP COC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000452073472 536523023 /nfs/dbraw/zinc/52/30/23/536523023.db2.gz BBMGRFCGMLLJJW-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCCC2 ZINC000422921250 527937224 /nfs/dbraw/zinc/93/72/24/527937224.db2.gz PHVGPMSARIVFEJ-BFZKSOEOSA-N 2 0 292.467 2.987 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1(C)C ZINC000414198915 527944297 /nfs/dbraw/zinc/94/42/97/527944297.db2.gz YLKZLTOUOCKSFU-LSDHHAIUSA-N 2 0 273.380 2.628 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C1(CC)CC ZINC000422840253 527946854 /nfs/dbraw/zinc/94/68/54/527946854.db2.gz SLQQDGZQZMVBKV-MELADBBJSA-N 2 0 256.434 2.687 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C12CCCC2 ZINC000422805340 527948633 /nfs/dbraw/zinc/94/86/33/527948633.db2.gz LYLNJSZKHZKQOE-XUWVNRHRSA-N 2 0 280.456 2.974 20 0 CFADRP CC1(C[NH2+]Cc2ccc(Cl)cc2F)CC[NH2+]CC1 ZINC000414902652 527981362 /nfs/dbraw/zinc/98/13/62/527981362.db2.gz LBXBAODZKKORTO-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000414109351 527987336 /nfs/dbraw/zinc/98/73/36/527987336.db2.gz UXLAYDFWGDNYQS-KLHDSHLOSA-N 2 0 252.446 2.989 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423125607 527990077 /nfs/dbraw/zinc/99/00/77/527990077.db2.gz AKJRFELAMASNSA-XOKHGSTOSA-N 2 0 275.440 2.841 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423141515 527998616 /nfs/dbraw/zinc/99/86/16/527998616.db2.gz QMWDFVMUHHSRLN-BQFCYCMXSA-N 2 0 291.483 2.655 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000422806604 528049613 /nfs/dbraw/zinc/04/96/13/528049613.db2.gz ILXJRVUTFSOTIK-RYQLBKOJSA-N 2 0 292.467 2.986 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423334751 528098957 /nfs/dbraw/zinc/09/89/57/528098957.db2.gz RDGDOIJBFSMDHQ-MRXNPFEDSA-N 2 0 297.487 2.522 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422940807 528123345 /nfs/dbraw/zinc/12/33/45/528123345.db2.gz JCZKDMPXQIFGBO-DOTOQJQBSA-N 2 0 276.424 2.906 20 0 CFADRP CC(C)c1ccc(O[C@@H](C)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423099490 528124970 /nfs/dbraw/zinc/12/49/70/528124970.db2.gz AQFNJUGYUCZTBX-UONOGXRCSA-N 2 0 276.424 2.775 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449515 528132768 /nfs/dbraw/zinc/13/27/68/528132768.db2.gz WOCANLPSMHVYNU-VVLHAWIVSA-N 2 0 294.483 2.804 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422858837 528150671 /nfs/dbraw/zinc/15/06/71/528150671.db2.gz IYYXVWRWIWPQBH-CABCVRRESA-N 2 0 278.440 2.979 20 0 CFADRP CC(C)COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414827559 528154645 /nfs/dbraw/zinc/15/46/45/528154645.db2.gz HGRJANHKJQRNHO-MRXNPFEDSA-N 2 0 276.424 2.811 20 0 CFADRP CC1CC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000192927872 528163826 /nfs/dbraw/zinc/16/38/26/528163826.db2.gz HOUKNZMZMSKZQJ-ARWYELJZSA-N 2 0 258.409 2.897 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@@H](C)CCC[NH3+] ZINC000422959325 528204560 /nfs/dbraw/zinc/20/45/60/528204560.db2.gz ROYKCNAJJXJSTB-AWEZNQCLSA-N 2 0 264.413 2.906 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422952825 528204594 /nfs/dbraw/zinc/20/45/94/528204594.db2.gz DLIWWRRNXYHKEZ-GOEBONIOSA-N 2 0 276.424 2.906 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423299952 528222800 /nfs/dbraw/zinc/22/28/00/528222800.db2.gz QOOUAVGIFGOCKR-WFASDCNBSA-N 2 0 250.386 2.721 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967691 528245907 /nfs/dbraw/zinc/24/59/07/528245907.db2.gz CGBVAXFSIRDUQB-PMPSAXMXSA-N 2 0 293.455 2.783 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825525 528255688 /nfs/dbraw/zinc/25/56/88/528255688.db2.gz CLSBMCIOYPYCOT-AWEZNQCLSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1cc(CCC[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000422768660 528257429 /nfs/dbraw/zinc/25/74/29/528257429.db2.gz ZLTCPRZEHHVPPC-ZIAGYGMSSA-N 2 0 294.439 2.742 20 0 CFADRP CCOc1cc(CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000422768658 528258118 /nfs/dbraw/zinc/25/81/18/528258118.db2.gz ZLTCPRZEHHVPPC-KGLIPLIRSA-N 2 0 294.439 2.742 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000422900855 528272402 /nfs/dbraw/zinc/27/24/02/528272402.db2.gz KCNMJYQHXRSFOQ-DGCLKSJQSA-N 2 0 267.442 2.526 20 0 CFADRP CC(C)c1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000422903047 528272702 /nfs/dbraw/zinc/27/27/02/528272702.db2.gz NWIVBJTWMTWMFT-ONXXMXGDSA-N 2 0 279.453 2.682 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414683318 528339540 /nfs/dbraw/zinc/33/95/40/528339540.db2.gz ZYRBXKDLXKMNJZ-AEFFLSMTSA-N 3 0 295.515 2.818 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423128021 528359394 /nfs/dbraw/zinc/35/93/94/528359394.db2.gz UQTYNZUZQIWLPG-IAOVAPTHSA-N 2 0 275.440 2.841 20 0 CFADRP CCOc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000422764073 528424789 /nfs/dbraw/zinc/42/47/89/528424789.db2.gz PJWGICJQZZIQCI-KGLIPLIRSA-N 2 0 294.439 2.742 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000414832147 528456126 /nfs/dbraw/zinc/45/61/26/528456126.db2.gz DWKHHSXMCWRBMK-ZDUSSCGKSA-N 2 0 280.387 2.704 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414904158 528457211 /nfs/dbraw/zinc/45/72/11/528457211.db2.gz MYJRUEQXPWSKDE-QGZVFWFLSA-N 2 0 292.423 2.573 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414989518 528457582 /nfs/dbraw/zinc/45/75/82/528457582.db2.gz HGXKDWWUOLYWGC-UKRRQHHQSA-N 2 0 292.423 2.701 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414858527 528458478 /nfs/dbraw/zinc/45/84/78/528458478.db2.gz RWWUWCQERKEUBS-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415022673 528458633 /nfs/dbraw/zinc/45/86/33/528458633.db2.gz ZYLCUROMKMEGMR-ZDUSSCGKSA-N 2 0 250.386 2.692 20 0 CFADRP CCN(CCC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422785203 528459904 /nfs/dbraw/zinc/45/99/04/528459904.db2.gz MWBJBNIPRLPPIF-RDJZCZTQSA-N 2 0 275.440 2.620 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414792700 528460091 /nfs/dbraw/zinc/46/00/91/528460091.db2.gz CRNBMXOLHDTKQE-HUUCEWRRSA-N 2 0 292.423 2.701 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCCC[NH3+])c1cccnc1 ZINC000422837373 528464990 /nfs/dbraw/zinc/46/49/90/528464990.db2.gz UCSKFSAEBGHIFP-GDBMZVCRSA-N 2 0 263.429 2.928 20 0 CFADRP CCN(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c1cccc(C)c1 ZINC000422762541 528514955 /nfs/dbraw/zinc/51/49/55/528514955.db2.gz IGJGGJXMXDSPIS-LSDHHAIUSA-N 2 0 263.429 2.537 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(C2C[C@H]3CCC[C@@H](C2)C3[NH3+])n1 ZINC000414609748 528557645 /nfs/dbraw/zinc/55/76/45/528557645.db2.gz AOSRWBWFMAHJPR-VZANTVGXSA-N 2 0 292.427 2.737 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423176033 528581480 /nfs/dbraw/zinc/58/14/80/528581480.db2.gz BORXVQWNSOKGNO-OAHLLOKOSA-N 2 0 289.379 2.572 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000423226074 528587080 /nfs/dbraw/zinc/58/70/80/528587080.db2.gz PIPWZPBPNODSAK-IINYFYTJSA-N 2 0 256.340 2.989 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423336343 528594880 /nfs/dbraw/zinc/59/48/80/528594880.db2.gz GUCYCGZMHRJXSU-CYBMUJFWSA-N 2 0 260.381 2.656 20 0 CFADRP CCCOc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC ZINC000414825895 528624238 /nfs/dbraw/zinc/62/42/38/528624238.db2.gz DGOVYRPOYKHXQD-AWEZNQCLSA-N 2 0 292.423 2.573 20 0 CFADRP CCCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423179991 528628884 /nfs/dbraw/zinc/62/88/84/528628884.db2.gz NCXCHIKGOYCFOG-MRXNPFEDSA-N 2 0 289.467 2.585 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427120387 528633747 /nfs/dbraw/zinc/63/37/47/528633747.db2.gz BPKPCQYUPALTPU-IAGOWNOFSA-N 2 0 258.409 2.823 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000422820835 528642225 /nfs/dbraw/zinc/64/22/25/528642225.db2.gz SNLWMRFBDZJTOH-APIJFGDWSA-N 2 0 268.445 2.687 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422874532 528656294 /nfs/dbraw/zinc/65/62/94/528656294.db2.gz AHJVXORCPDLVTQ-XJKSGUPXSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415004261 528682759 /nfs/dbraw/zinc/68/27/59/528682759.db2.gz HGEWVZIDYDQWPN-YHUYYLMFSA-N 2 0 250.430 2.789 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414794806 528687706 /nfs/dbraw/zinc/68/77/06/528687706.db2.gz MFMAVORPAMXTNK-HUUCEWRRSA-N 2 0 292.423 2.701 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422782027 528688949 /nfs/dbraw/zinc/68/89/49/528688949.db2.gz MMWCXUQYPMVASK-AGIUHOORSA-N 2 0 250.386 2.862 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422714125 528690635 /nfs/dbraw/zinc/69/06/35/528690635.db2.gz KPZMIGLLIWDIED-RSJGLCBASA-N 2 0 294.483 2.948 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414796573 528691463 /nfs/dbraw/zinc/69/14/63/528691463.db2.gz OHAPCDUCBLEHAZ-HOCLYGCPSA-N 2 0 262.397 2.692 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422892092 528720984 /nfs/dbraw/zinc/72/09/84/528720984.db2.gz MCCCUAVEGBNCQK-OLZOCXBDSA-N 2 0 292.423 2.743 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104459 528752414 /nfs/dbraw/zinc/75/24/14/528752414.db2.gz GYMAXAXVLJCZNB-HZPDHXFCSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423157222 528761879 /nfs/dbraw/zinc/76/18/79/528761879.db2.gz UYCKTQRFWYDCEP-VGWMRTNUSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414860268 528765721 /nfs/dbraw/zinc/76/57/21/528765721.db2.gz PBBYAIUCGGHTHW-GJZGRUSLSA-N 2 0 268.445 2.831 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C)nn1 ZINC000414433311 528781176 /nfs/dbraw/zinc/78/11/76/528781176.db2.gz BICULTJCUYLSCO-UHFFFAOYSA-N 2 0 298.434 2.869 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000414802861 528781213 /nfs/dbraw/zinc/78/12/13/528781213.db2.gz NFVFJFWHHUEIRG-WCVJEAGWSA-N 2 0 268.445 2.545 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422819398 528822500 /nfs/dbraw/zinc/82/25/00/528822500.db2.gz NBABSGQHNPFZSD-GDBMZVCRSA-N 3 0 269.477 2.604 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422920044 528829484 /nfs/dbraw/zinc/82/94/84/528829484.db2.gz LKLNOKAQRBRFHJ-GRAKBVBRSA-N 2 0 268.445 2.545 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422819501 528855551 /nfs/dbraw/zinc/85/55/51/528855551.db2.gz NBABSGQHNPFZSD-ZBFHGGJFSA-N 3 0 269.477 2.604 20 0 CFADRP CCC[C@@H](CCc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422781674 528939877 /nfs/dbraw/zinc/93/98/77/528939877.db2.gz MFZFRDCLEBCJCZ-PBHICJAKSA-N 2 0 260.425 2.985 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000423286947 528950121 /nfs/dbraw/zinc/95/01/21/528950121.db2.gz JOJXEYHRRFKSAT-DZGCQCFKSA-N 2 0 264.413 2.870 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423287474 528952886 /nfs/dbraw/zinc/95/28/86/528952886.db2.gz MNUHRHKKVJTRKH-DOTOQJQBSA-N 2 0 289.467 2.757 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423289710 528954454 /nfs/dbraw/zinc/95/44/54/528954454.db2.gz BQDMMJWAFRBWEN-DLBZAZTESA-N 2 0 289.467 2.929 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414809536 528957578 /nfs/dbraw/zinc/95/75/78/528957578.db2.gz GVGNXFTYNLGWKY-CGTJXYLNSA-N 2 0 289.467 2.929 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414809542 528958451 /nfs/dbraw/zinc/95/84/51/528958451.db2.gz GVGNXFTYNLGWKY-NXHRZFHOSA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)[NH+]1CCC(NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414809419 529001286 /nfs/dbraw/zinc/00/12/86/529001286.db2.gz MJTDVMIHBRBRMM-AWEZNQCLSA-N 2 0 275.440 2.669 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000422837406 529013755 /nfs/dbraw/zinc/01/37/55/529013755.db2.gz UFEZOKPIQOSRSD-VNQPRFMTSA-N 2 0 261.413 2.538 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCC(C)CC1 ZINC000422852932 529013906 /nfs/dbraw/zinc/01/39/06/529013906.db2.gz YHSNUNNVOGEAGL-IRXDYDNUSA-N 2 0 283.504 2.850 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422739771 529024172 /nfs/dbraw/zinc/02/41/72/529024172.db2.gz LUFYIBVKDBEQSU-OLMNPRSZSA-N 2 0 287.451 2.841 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422838855 529042625 /nfs/dbraw/zinc/04/26/25/529042625.db2.gz YIXRZVFRBICJDH-PBHICJAKSA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccccc1F ZINC000414794854 529068465 /nfs/dbraw/zinc/06/84/65/529068465.db2.gz MIRYGWBFPUXGQA-SWLSCSKDSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423270616 529072132 /nfs/dbraw/zinc/07/21/32/529072132.db2.gz IEWQQXWVZKGDQM-OWCLPIDISA-N 2 0 276.424 2.805 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000422789746 529125562 /nfs/dbraw/zinc/12/55/62/529125562.db2.gz SJUHOLAFOBBZLP-NHYWBVRUSA-N 2 0 250.361 2.720 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422774973 529125984 /nfs/dbraw/zinc/12/59/84/529125984.db2.gz ZFPPAOVLHOURSP-AHIWAGSCSA-N 2 0 292.423 2.870 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193130658 529148070 /nfs/dbraw/zinc/14/80/70/529148070.db2.gz WDBXZCZIXIBCKT-IXDOHACOSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(F)c1 ZINC000423396850 529157499 /nfs/dbraw/zinc/15/74/99/529157499.db2.gz BKZYJIKJQMXMQG-MRXNPFEDSA-N 2 0 294.414 2.883 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423238379 529167790 /nfs/dbraw/zinc/16/77/90/529167790.db2.gz ACHOKSSUHWNZBL-XJKSGUPXSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000414190581 529167877 /nfs/dbraw/zinc/16/78/77/529167877.db2.gz RIZGDYAWFSLYBI-GDBMZVCRSA-N 2 0 261.413 2.854 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccccc1OC ZINC000423279053 529178329 /nfs/dbraw/zinc/17/83/29/529178329.db2.gz RSNNUYDWIKADRO-TZMCWYRMSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423214885 529179074 /nfs/dbraw/zinc/17/90/74/529179074.db2.gz PVFYLWPGRJHBMV-XJKSGUPXSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423216606 529179155 /nfs/dbraw/zinc/17/91/55/529179155.db2.gz RXCQJAMUUADLSG-SWLSCSKDSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423220610 529179227 /nfs/dbraw/zinc/17/92/27/529179227.db2.gz YKNVMLLYWCDLGO-SWLSCSKDSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1cc(F)ccc1F ZINC000422916227 529201016 /nfs/dbraw/zinc/20/10/16/529201016.db2.gz CXDLSXSJUMRIPL-SWLSCSKDSA-N 2 0 286.366 2.759 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1nnc2n1CCCCC2 ZINC000422911850 529204798 /nfs/dbraw/zinc/20/47/98/529204798.db2.gz UNOUOYHGCRGDJD-ZIAGYGMSSA-N 2 0 293.459 2.563 20 0 CFADRP CC[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)[NH+]1CCCC1 ZINC000422962540 529368507 /nfs/dbraw/zinc/36/85/07/529368507.db2.gz GANQGRVAJFSLLD-YESZJQIVSA-N 2 0 281.488 2.761 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1C ZINC000422922915 529369134 /nfs/dbraw/zinc/36/91/34/529369134.db2.gz UQPVPHOQTBLLQK-BZUAXINKSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@H](CCC[NH3+])COC)c1ccccc1 ZINC000422709749 529370742 /nfs/dbraw/zinc/37/07/42/529370742.db2.gz DXISLJFHIBKYPN-GDBMZVCRSA-N 2 0 264.413 2.524 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](Cn2cccn2)C(C)C)CC1 ZINC000453115350 535451888 /nfs/dbraw/zinc/45/18/88/535451888.db2.gz HRVAUGXQIPVEIE-QGZVFWFLSA-N 2 0 292.471 2.619 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC2CCCC2)CC1 ZINC000451987843 535671659 /nfs/dbraw/zinc/67/16/59/535671659.db2.gz OQSQJYMRUUSVOF-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657396 535681998 /nfs/dbraw/zinc/68/19/98/535681998.db2.gz IFUNDSDTVCHNLO-HOCLYGCPSA-N 2 0 273.380 2.629 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000459732786 536384103 /nfs/dbraw/zinc/38/41/03/536384103.db2.gz MXLZWXNKMBBGIB-OAHLLOKOSA-N 2 0 286.419 2.784 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000459730541 536384137 /nfs/dbraw/zinc/38/41/37/536384137.db2.gz KOSCZOYMWOQELO-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP COCCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821254 536495948 /nfs/dbraw/zinc/49/59/48/536495948.db2.gz HQDQKSHHOZCOKR-UHFFFAOYSA-N 2 0 291.439 2.656 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000459740259 536891739 /nfs/dbraw/zinc/89/17/39/536891739.db2.gz TZWCGGRLAXIGIA-CYBMUJFWSA-N 2 0 280.387 2.656 20 0 CFADRP Cc1ccccc1CC1C[NH+](Cc2cnc3n2CCC3)C1 ZINC000668230259 545496779 /nfs/dbraw/zinc/49/67/79/545496779.db2.gz KHTOILUVUCIRLB-UHFFFAOYSA-N 2 0 281.403 2.812 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[NH2+]C(C)(C)C)c1 ZINC000935111506 649876982 /nfs/dbraw/zinc/87/69/82/649876982.db2.gz PZOHRGMXRDPTJM-UHFFFAOYSA-N 2 0 291.439 2.773 20 0 CFADRP C[C@@H]1C[C@@H](Nc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000156004537 574082762 /nfs/dbraw/zinc/08/27/62/574082762.db2.gz GSHINXOJZWKPPZ-CJNGLKHVSA-N 2 0 261.413 2.643 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000731212427 574113232 /nfs/dbraw/zinc/11/32/32/574113232.db2.gz LKLUXDVXEUZRTA-UHFFFAOYSA-N 2 0 256.510 2.918 20 0 CFADRP C[NH+](C)CCCCC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000754868289 574125604 /nfs/dbraw/zinc/12/56/04/574125604.db2.gz BRIUXIYDBMUSFP-UHFFFAOYSA-N 2 0 295.402 2.558 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000754786384 574131159 /nfs/dbraw/zinc/13/11/59/574131159.db2.gz QEJQSVKVZIBZQP-LSDHHAIUSA-N 2 0 292.398 2.811 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251526397 574265804 /nfs/dbraw/zinc/26/58/04/574265804.db2.gz AECZVSCPDPLTRV-SWLSCSKDSA-N 2 0 282.815 2.778 20 0 CFADRP COc1ccc(CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000130253024 574315286 /nfs/dbraw/zinc/31/52/86/574315286.db2.gz XLTIDIPLTXAUES-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000742367208 574324504 /nfs/dbraw/zinc/32/45/04/574324504.db2.gz KKPFZAWZTOTMLF-GOEBONIOSA-N 2 0 276.424 2.905 20 0 CFADRP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000743271968 574356834 /nfs/dbraw/zinc/35/68/34/574356834.db2.gz IMTWEISUIDYZEK-QGZVFWFLSA-N 2 0 294.483 2.880 20 0 CFADRP Cc1cc(NCC2CC[NH+](CCC(C)C)CC2)nc(N)[nH+]1 ZINC000751112971 574369321 /nfs/dbraw/zinc/36/93/21/574369321.db2.gz NTMULNFTLALRFR-UHFFFAOYSA-N 2 0 291.443 2.537 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000072727096 617987597 /nfs/dbraw/zinc/98/75/97/617987597.db2.gz YSOHTAWUOFTXKK-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP CC(C)[C@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCC(C)CC1 ZINC000066242975 617681374 /nfs/dbraw/zinc/68/13/74/617681374.db2.gz RISGWNPTFZXKNG-INIZCTEOSA-N 2 0 294.487 2.799 20 0 CFADRP C[N@H+](CCNC(=[NH2+])Nc1ccccc1)C1CCCCC1 ZINC000066244734 617681570 /nfs/dbraw/zinc/68/15/70/617681570.db2.gz OVUDTGXHZZVGOU-UHFFFAOYSA-N 2 0 274.412 2.887 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1OC ZINC000094009873 617684160 /nfs/dbraw/zinc/68/41/60/617684160.db2.gz RMOAARMTGKEGFO-OAHLLOKOSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCCCCC[NH3+])c(C)s1 ZINC000843342563 617737122 /nfs/dbraw/zinc/73/71/22/617737122.db2.gz RZDOMYUSPOLQLP-JTQLQIEISA-N 2 0 255.431 2.930 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccco2)C1 ZINC000120620736 617749608 /nfs/dbraw/zinc/74/96/08/617749608.db2.gz FUDHYGZPQHZAGN-CQSZACIVSA-N 2 0 250.386 2.881 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000047978113 617751750 /nfs/dbraw/zinc/75/17/50/617751750.db2.gz MAPGLKBGKRNQNM-GOSISDBHSA-N 2 0 290.451 2.774 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC000891869865 617794854 /nfs/dbraw/zinc/79/48/54/617794854.db2.gz NUKQZSOLCJUOCH-KRWDZBQOSA-N 2 0 288.435 2.826 20 0 CFADRP CC(C)(CN[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000926275314 617796125 /nfs/dbraw/zinc/79/61/25/617796125.db2.gz OEJCIVSURCTYDD-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP CC(C)(C)[NH+]1CCC(Nc2cc(N)[nH+]cc2Cl)CC1 ZINC000891906664 617818098 /nfs/dbraw/zinc/81/80/98/617818098.db2.gz ITSJVMUTKKHWPO-UHFFFAOYSA-N 2 0 282.819 2.992 20 0 CFADRP Cc1cnc(Cl)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000891933693 617835183 /nfs/dbraw/zinc/83/51/83/617835183.db2.gz LAXUWQYBCKAJPA-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000843348870 617852457 /nfs/dbraw/zinc/85/24/57/617852457.db2.gz TZPQSVJVRKOARZ-HUUCEWRRSA-N 2 0 297.487 2.521 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000892063830 617933004 /nfs/dbraw/zinc/93/30/04/617933004.db2.gz QWSPMGIZTLDHDE-GOSISDBHSA-N 2 0 288.435 2.710 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(F)cc2C)C[C@@H]1C ZINC000892102025 617949957 /nfs/dbraw/zinc/94/99/57/617949957.db2.gz CAJVQUAIJZITHV-ZFWWWQNUSA-N 2 0 279.403 2.834 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(F)c(C)c2)[C@H](C)C1 ZINC000892106135 617953392 /nfs/dbraw/zinc/95/33/92/617953392.db2.gz RLUVOSFOQINZCC-HIFRSBDPSA-N 2 0 279.403 2.691 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCC(OC)CC2)[C@H](C)C1 ZINC000892105500 617954337 /nfs/dbraw/zinc/95/43/37/617954337.db2.gz MDTLVPABJKIPSC-RDHHWEPZSA-N 2 0 282.472 2.854 20 0 CFADRP CCc1cc(N2CCC(c3ncc[nH]3)CC2)nc(CC)n1 ZINC000892150164 617974718 /nfs/dbraw/zinc/97/47/18/617974718.db2.gz DCVUUIXWRKZLRT-UHFFFAOYSA-N 2 0 285.395 2.709 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nccc4c3CCCC4)CC[C@@H]21 ZINC000892226366 618015063 /nfs/dbraw/zinc/01/50/63/618015063.db2.gz GNDBAAWSNJVCJP-APWZRJJASA-N 2 0 299.462 2.877 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780287643 618089271 /nfs/dbraw/zinc/08/92/71/618089271.db2.gz SJTVYUSKLPCCOF-HOCLYGCPSA-N 2 0 258.409 2.600 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@H]([NH+](C)C)C2)c1Br ZINC000892288218 618091654 /nfs/dbraw/zinc/09/16/54/618091654.db2.gz KJEKVWFNGHGBIY-NSHDSACASA-N 2 0 298.228 2.683 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846222258 618098299 /nfs/dbraw/zinc/09/82/99/618098299.db2.gz BSFKGSZRNDPUJI-HUUCEWRRSA-N 2 0 256.434 2.689 20 0 CFADRP CC[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000122804473 618104038 /nfs/dbraw/zinc/10/40/38/618104038.db2.gz JNFNVPUPROBCDD-DOMZBBRYSA-N 2 0 282.428 2.977 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050267313 618105716 /nfs/dbraw/zinc/10/57/16/618105716.db2.gz LBDDRFAEGBYBJJ-GJZGRUSLSA-N 2 0 254.418 2.779 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc2c1OCO2 ZINC000926115647 618116382 /nfs/dbraw/zinc/11/63/82/618116382.db2.gz WKWCLCAJOQNLEE-ZDUSSCGKSA-N 2 0 290.407 2.798 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544819 618129385 /nfs/dbraw/zinc/12/93/85/618129385.db2.gz DAHWYUIZSSXGIG-FMKPAKJESA-N 2 0 276.424 2.685 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926460275 618136556 /nfs/dbraw/zinc/13/65/56/618136556.db2.gz XTTTXLPKOCZTEC-BZUAXINKSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1csc(C[C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000933129125 618161680 /nfs/dbraw/zinc/16/16/80/618161680.db2.gz JRWZHGZVLYZQDI-HUUCEWRRSA-N 2 0 293.480 2.800 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926536614 618187470 /nfs/dbraw/zinc/18/74/70/618187470.db2.gz ANBCTBCDWZLNGD-FHLIZLRMSA-N 2 0 290.451 2.950 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926538913 618189303 /nfs/dbraw/zinc/18/93/03/618189303.db2.gz DWMNAPONGHCXNO-IXIBIKRGSA-N 2 0 268.445 2.531 20 0 CFADRP CS[C@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000235206280 618209206 /nfs/dbraw/zinc/20/92/06/618209206.db2.gz FWKRTUCRTUWTEL-ZBFHGGJFSA-N 2 0 291.464 2.924 20 0 CFADRP Cc1ccc2c(c1C)OC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000892402465 618227895 /nfs/dbraw/zinc/22/78/95/618227895.db2.gz QEZASDUTQWKUEX-MRXNPFEDSA-N 2 0 274.408 2.668 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925572805 618253842 /nfs/dbraw/zinc/25/38/42/618253842.db2.gz JXIWASJLHXRTDU-ZWKOTPCHSA-N 2 0 287.451 2.690 20 0 CFADRP C1[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)[C@@H]1C1CCCCC1 ZINC000925576647 618260093 /nfs/dbraw/zinc/26/00/93/618260093.db2.gz YAKYBPUJAYWSIL-UJDJNWPZSA-N 2 0 260.425 2.541 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000925585853 618271351 /nfs/dbraw/zinc/27/13/51/618271351.db2.gz AMZRPESRAGDCMV-IRXDYDNUSA-N 2 0 289.467 2.970 20 0 CFADRP CC1CC(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000930805293 618277646 /nfs/dbraw/zinc/27/76/46/618277646.db2.gz FGXJHBCEPYTABV-UHFFFAOYSA-N 2 0 259.397 2.640 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000893304361 618287401 /nfs/dbraw/zinc/28/74/01/618287401.db2.gz MKTZMAYRWRYMGZ-INIZCTEOSA-N 2 0 256.393 2.568 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)Oc1ccccc1 ZINC000925604389 618292814 /nfs/dbraw/zinc/29/28/14/618292814.db2.gz YCGYNCCRYWXUKA-ILXRZTDVSA-N 2 0 276.424 2.950 20 0 CFADRP CC[C@H](CN[C@H](c1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000925606167 618294559 /nfs/dbraw/zinc/29/45/59/618294559.db2.gz LZVOFBLBNJKYRK-OIISXLGYSA-N 2 0 275.440 2.539 20 0 CFADRP Cc1coc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000894065476 618302357 /nfs/dbraw/zinc/30/23/57/618302357.db2.gz WIXUYJBBWGMANI-UHFFFAOYSA-N 2 0 292.423 2.665 20 0 CFADRP C[C@@](O)(C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925612123 618310734 /nfs/dbraw/zinc/31/07/34/618310734.db2.gz QJYYOZQDQDHAJS-RTBURBONSA-N 2 0 298.430 2.964 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894077410 618313455 /nfs/dbraw/zinc/31/34/55/618313455.db2.gz UEXRTPWTVJYAKG-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000925613915 618314719 /nfs/dbraw/zinc/31/47/19/618314719.db2.gz UZKQYCCUXIKQLP-ZOBUZTSGSA-N 2 0 275.440 2.539 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCO)C2CCCCC2)C1 ZINC000925614255 618316201 /nfs/dbraw/zinc/31/62/01/618316201.db2.gz HMKBZTDKWALEKO-BZUAXINKSA-N 2 0 282.472 2.813 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccco1 ZINC000925616393 618321473 /nfs/dbraw/zinc/32/14/73/618321473.db2.gz LMEKELPCOHABEC-FVQBIDKESA-N 2 0 291.439 2.522 20 0 CFADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925618375 618328258 /nfs/dbraw/zinc/32/82/58/618328258.db2.gz GVESSUCRYNCUNI-XMTFNYHQSA-N 2 0 282.431 2.837 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H](CCCO)c1ccccc1)[NH2+]2 ZINC000925624077 618345738 /nfs/dbraw/zinc/34/57/38/618345738.db2.gz UWZREZJRBRATIV-REEYDVFISA-N 2 0 288.435 2.619 20 0 CFADRP CC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)OC ZINC000895128228 618347550 /nfs/dbraw/zinc/34/75/50/618347550.db2.gz RVJJYDIBOMRKQU-AWEZNQCLSA-N 2 0 296.455 2.572 20 0 CFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925625859 618349141 /nfs/dbraw/zinc/34/91/41/618349141.db2.gz MBGDVRKUBJZDEN-QWHCGFSZSA-N 2 0 292.471 2.541 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(F)c1F ZINC000235495328 618351379 /nfs/dbraw/zinc/35/13/79/618351379.db2.gz PJRRKZGSVXQUQH-WHXUTIOJSA-N 2 0 254.324 2.885 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236988922 618359785 /nfs/dbraw/zinc/35/97/85/618359785.db2.gz MLSIKSFCUIBNAI-HZPDHXFCSA-N 2 0 297.487 2.617 20 0 CFADRP CC(C)[NH+](CCNC(=[NH2+])NC1CCCCC1)C(C)C ZINC000052046716 618367651 /nfs/dbraw/zinc/36/76/51/618367651.db2.gz FJUSNEGUFSPRKT-UHFFFAOYSA-N 2 0 268.449 2.552 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC1CCCCC1 ZINC000052046820 618369487 /nfs/dbraw/zinc/36/94/87/618369487.db2.gz YWIXVBSAOPYNFS-CQSZACIVSA-N 2 0 280.460 2.698 20 0 CFADRP c1ccc(N2CCC[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925655819 618411801 /nfs/dbraw/zinc/41/18/01/618411801.db2.gz WPJSHBBTOYGLKG-SJLPKXTDSA-N 2 0 299.462 2.777 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000924550450 618416052 /nfs/dbraw/zinc/41/60/52/618416052.db2.gz IZDNQLXAIUIDEV-SFHVURJKSA-N 2 0 290.451 2.820 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](O)c1ccccc1 ZINC000925660830 618422987 /nfs/dbraw/zinc/42/29/87/618422987.db2.gz BFBYOBDLRALOBN-NXOAAHMSSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1COCC1(C)C ZINC000894179511 618429476 /nfs/dbraw/zinc/42/94/76/618429476.db2.gz DPJUSFUMMUDJRB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCc2ccccc2F)CC1 ZINC000894179892 618429545 /nfs/dbraw/zinc/42/95/45/618429545.db2.gz ZBYCVFFKQYXOQW-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C[C@H](C)O1 ZINC000925665578 618432014 /nfs/dbraw/zinc/43/20/14/618432014.db2.gz LNOFTNBMBDTHLG-QKPAOTATSA-N 2 0 280.456 2.844 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925668459 618434744 /nfs/dbraw/zinc/43/47/44/618434744.db2.gz HSGQCYUGQCBZST-RRFJBIMHSA-N 2 0 269.477 2.602 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C12CCC2 ZINC000925672050 618443007 /nfs/dbraw/zinc/44/30/07/618443007.db2.gz GLSKYTQDBNCLFP-RBSFLKMASA-N 2 0 294.826 2.623 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000893357018 618465618 /nfs/dbraw/zinc/46/56/18/618465618.db2.gz OJZKMDUHSNBBII-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925682567 618465642 /nfs/dbraw/zinc/46/56/42/618465642.db2.gz CSSYQYCPKBMVNV-HUUCEWRRSA-N 2 0 275.440 2.818 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c2ccccc2n1 ZINC000235964904 618467538 /nfs/dbraw/zinc/46/75/38/618467538.db2.gz CKBKLVYIGRIDHL-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCC2CC(F)(F)C2)C[C@@H]([NH3+])C1 ZINC000925684234 618475085 /nfs/dbraw/zinc/47/50/85/618475085.db2.gz FRPCNYXWLDFXNI-NEPJUHHUSA-N 2 0 260.372 2.917 20 0 CFADRP COCC[C@@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925685054 618477133 /nfs/dbraw/zinc/47/71/33/618477133.db2.gz FDZYHFOVSBDFLW-GDBMZVCRSA-N 2 0 264.413 2.729 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000895211169 618478391 /nfs/dbraw/zinc/47/83/91/618478391.db2.gz XQSYZAMWWLEYIU-OAHLLOKOSA-N 2 0 298.471 2.532 20 0 CFADRP C[C@@H](N)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000925686753 618479963 /nfs/dbraw/zinc/47/99/63/618479963.db2.gz YCTBBRCSPAGSHO-PBHICJAKSA-N 2 0 275.440 2.539 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895296789 618518769 /nfs/dbraw/zinc/51/87/69/618518769.db2.gz PUYPSNPLPUUYDY-YOEHRIQHSA-N 2 0 296.430 2.703 20 0 CFADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895313704 618530366 /nfs/dbraw/zinc/53/03/66/618530366.db2.gz LUKPVDZOWBHNRF-CQSZACIVSA-N 2 0 278.415 2.997 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000895379607 618558713 /nfs/dbraw/zinc/55/87/13/618558713.db2.gz MTIRCEUXBJRKDT-QAPCUYQASA-N 2 0 290.451 2.731 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000895379605 618558820 /nfs/dbraw/zinc/55/88/20/618558820.db2.gz MTIRCEUXBJRKDT-CRAIPNDOSA-N 2 0 290.451 2.731 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CSC3)CC2)C1 ZINC000895421728 618582232 /nfs/dbraw/zinc/58/22/32/618582232.db2.gz VYDIBYPMYPTKBD-XJKSGUPXSA-N 2 0 282.497 2.982 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926736646 618618735 /nfs/dbraw/zinc/61/87/35/618618735.db2.gz ALINGZIOSGXZGX-OKZBNKHCSA-N 2 0 294.483 2.759 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000926752838 618635035 /nfs/dbraw/zinc/63/50/35/618635035.db2.gz BYGODMLXVXZZGR-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892578660 618640952 /nfs/dbraw/zinc/64/09/52/618640952.db2.gz GZHIGJQBRAWGKR-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892585602 618642828 /nfs/dbraw/zinc/64/28/28/618642828.db2.gz WDNXBHAMYFQXGR-KLAILNCOSA-N 2 0 282.472 2.782 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924578070 618651177 /nfs/dbraw/zinc/65/11/77/618651177.db2.gz OXKUHMKYVVAJCX-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924578688 618654318 /nfs/dbraw/zinc/65/43/18/618654318.db2.gz QHXAPNMMYGVJJQ-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000926769020 618654789 /nfs/dbraw/zinc/65/47/89/618654789.db2.gz YGDVUBOUDCDLFD-IRXDYDNUSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924579006 618655798 /nfs/dbraw/zinc/65/57/98/618655798.db2.gz SXXRNJXBFRDVSH-MRXNPFEDSA-N 2 0 283.504 2.530 20 0 CFADRP C[C@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(C[NH+](C)C)c1 ZINC000926772619 618659762 /nfs/dbraw/zinc/65/97/62/618659762.db2.gz MHZYVPKNNWCGPJ-ZDUSSCGKSA-N 2 0 285.391 2.700 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000892751337 618739876 /nfs/dbraw/zinc/73/98/76/618739876.db2.gz SXHMGFRYZMWHSB-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1(Cl)CC1 ZINC000924610092 618769745 /nfs/dbraw/zinc/76/97/45/618769745.db2.gz XKXHBFKINPMVHP-LBPRGKRZSA-N 2 0 266.816 2.998 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CC2(CCCOC)CCC2)CC1 ZINC000892939563 618774333 /nfs/dbraw/zinc/77/43/33/618774333.db2.gz SIXIPFBPFSKYFF-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000892963096 618784676 /nfs/dbraw/zinc/78/46/76/618784676.db2.gz CMOFODUHWDGFKU-QGZVFWFLSA-N 2 0 287.451 2.587 20 0 CFADRP CN(C)c1ccnc(C[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000926882552 618786034 /nfs/dbraw/zinc/78/60/34/618786034.db2.gz SLCQUXVZNBSLLO-MRXNPFEDSA-N 2 0 289.423 2.729 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2cc3ccccc3o2)CC1 ZINC000892995083 618795206 /nfs/dbraw/zinc/79/52/06/618795206.db2.gz OUDZTGZWNWMTMX-UHFFFAOYSA-N 2 0 272.392 2.907 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C12CCC2 ZINC000925504297 618831335 /nfs/dbraw/zinc/83/13/35/618831335.db2.gz NSFMXWJNAIDLKX-LSDHHAIUSA-N 2 0 266.429 2.585 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C12CCC2 ZINC000925511068 618849405 /nfs/dbraw/zinc/84/94/05/618849405.db2.gz FOBZHIWPVXZCHR-VVLHAWIVSA-N 2 0 286.419 2.766 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925511705 618850228 /nfs/dbraw/zinc/85/02/28/618850228.db2.gz RSYGUUCBRULHCJ-ZWKOTPCHSA-N 2 0 293.499 2.619 20 0 CFADRP C1C[C@@H]2CC[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C[C@H]2C1 ZINC000925512451 618851680 /nfs/dbraw/zinc/85/16/80/618851680.db2.gz CPJZUBNPTFGWOX-DKYJUROGSA-N 2 0 260.425 2.541 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC1CCCCC1 ZINC000925516018 618854249 /nfs/dbraw/zinc/85/42/49/618854249.db2.gz BRWVKVUFYALKFE-KWOWKCNFSA-N 2 0 280.456 2.831 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925516224 618855216 /nfs/dbraw/zinc/85/52/16/618855216.db2.gz WIGZGNTUVWGMCU-FVQBIDKESA-N 2 0 274.408 2.622 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCC2 ZINC000925520161 618858725 /nfs/dbraw/zinc/85/87/25/618858725.db2.gz QUYGSMIWJXORKA-ROUUACIJSA-N 3 0 299.462 2.642 20 0 CFADRP CCN(CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925520611 618858884 /nfs/dbraw/zinc/85/88/84/618858884.db2.gz RZORZZNVAUZMHM-IAGOWNOFSA-N 2 0 287.451 2.763 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000925521565 618860932 /nfs/dbraw/zinc/86/09/32/618860932.db2.gz VSHZMSQQUBUIFY-KRWDZBQOSA-N 2 0 287.451 2.513 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925525354 618868745 /nfs/dbraw/zinc/86/87/45/618868745.db2.gz HQQWWWRIPFEIOJ-CVEARBPZSA-N 2 0 276.424 2.829 20 0 CFADRP CCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCOCC1 ZINC000925526203 618871367 /nfs/dbraw/zinc/87/13/67/618871367.db2.gz HHZVLNOONNZSKW-ILXRZTDVSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000925527353 618874558 /nfs/dbraw/zinc/87/45/58/618874558.db2.gz PNXLAGPMHLXXDD-YJBOKZPZSA-N 2 0 287.451 2.513 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC1(CCO)CCCC1)c1ccccc1 ZINC000925527797 618876739 /nfs/dbraw/zinc/87/67/39/618876739.db2.gz QWRCLYZYBHADRC-KRWDZBQOSA-N 2 0 290.451 2.999 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925528127 618876829 /nfs/dbraw/zinc/87/68/29/618876829.db2.gz STWQPKWMKVJCSH-SZMVWBNQSA-N 2 0 296.499 2.789 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925528124 618876947 /nfs/dbraw/zinc/87/69/47/618876947.db2.gz STWQPKWMKVJCSH-CGTJXYLNSA-N 2 0 296.499 2.789 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925527864 618877263 /nfs/dbraw/zinc/87/72/63/618877263.db2.gz ADGDVEZGEMTBMH-HUUCEWRRSA-N 2 0 295.858 2.673 20 0 CFADRP CCOc1cccc(CC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000893211577 618884933 /nfs/dbraw/zinc/88/49/33/618884933.db2.gz YXEIZCYIVNEFMR-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP CC1(C)C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C[C@@H]([NH3+])C1 ZINC000925535241 618888415 /nfs/dbraw/zinc/88/84/15/618888415.db2.gz UGGFSXIDOADKED-ZBFHGGJFSA-N 2 0 293.499 2.889 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCOCc2ccc(Cl)cc2)CC1 ZINC000893243757 618902539 /nfs/dbraw/zinc/90/25/39/618902539.db2.gz IBLIJYRQWGJVBF-UHFFFAOYSA-N 2 0 296.842 2.788 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925556263 618920986 /nfs/dbraw/zinc/92/09/86/618920986.db2.gz GRBNVAKYRRHOEZ-VVLHAWIVSA-N 2 0 293.499 2.604 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccccc1 ZINC000925689776 618932606 /nfs/dbraw/zinc/93/26/06/618932606.db2.gz ILTJSWJSBYOBBY-UAGQMJEPSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194213833 618933443 /nfs/dbraw/zinc/93/34/43/618933443.db2.gz ZZSIKAZWYHGMNT-HOTGVXAUSA-N 2 0 266.429 2.781 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925690396 618934910 /nfs/dbraw/zinc/93/49/10/618934910.db2.gz KYMDZWCYOVAFMZ-DQVOVIAYSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925692510 618937860 /nfs/dbraw/zinc/93/78/60/618937860.db2.gz LUEZEFUBDUWQIO-ZACQAIPSSA-N 2 0 287.451 2.669 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000925699470 618952386 /nfs/dbraw/zinc/95/23/86/618952386.db2.gz PBYKPLQHQCRNMD-GOEBONIOSA-N 2 0 281.488 2.794 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000857066190 618952401 /nfs/dbraw/zinc/95/24/01/618952401.db2.gz YSPRLOPQLNJFDF-WOPDTQHZSA-N 2 0 279.255 2.890 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925701322 618954601 /nfs/dbraw/zinc/95/46/01/618954601.db2.gz XQAKXBNTBXDNKW-JOCBIADPSA-N 3 0 293.499 2.509 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925710243 618964071 /nfs/dbraw/zinc/96/40/71/618964071.db2.gz WEBDXSIBNQMYQN-QZTJIDSGSA-N 2 0 287.451 2.690 20 0 CFADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000925710976 618965023 /nfs/dbraw/zinc/96/50/23/618965023.db2.gz YJCONKDMYQUXHM-DOTOQJQBSA-N 2 0 291.483 2.658 20 0 CFADRP Cc1cccc2c1[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000925712467 618966899 /nfs/dbraw/zinc/96/68/99/618966899.db2.gz VGAQTIBFGPQLFJ-MRXNPFEDSA-N 2 0 256.393 2.834 20 0 CFADRP COCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000893400442 618968320 /nfs/dbraw/zinc/96/83/20/618968320.db2.gz CZXLTGKIQQBTBK-OAHLLOKOSA-N 2 0 280.412 2.597 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2CCC(F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714432 618970139 /nfs/dbraw/zinc/97/01/39/618970139.db2.gz YSESCZDDASOCPJ-IFOPZJACSA-N 2 0 268.420 2.881 20 0 CFADRP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925720781 618978357 /nfs/dbraw/zinc/97/83/57/618978357.db2.gz JEESRQHIDCSUTL-USXIJHARSA-N 2 0 280.456 2.561 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC000893411824 618981482 /nfs/dbraw/zinc/98/14/82/618981482.db2.gz IQRQWKWDTMHCQF-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000925721915 618981511 /nfs/dbraw/zinc/98/15/11/618981511.db2.gz IACYTWJJMKXNHQ-VXGBXAGGSA-N 2 0 268.351 2.960 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)C1([C@H]2CCCCO2)CCC1 ZINC000925722265 618983728 /nfs/dbraw/zinc/98/37/28/618983728.db2.gz KIYKTRWJBYSFEP-JKSUJKDBSA-N 2 0 292.467 2.990 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)OCC ZINC000925722752 618989532 /nfs/dbraw/zinc/98/95/32/618989532.db2.gz KVBMQBSRNMIQHH-HZSPNIEDSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893486590 619015779 /nfs/dbraw/zinc/01/57/79/619015779.db2.gz BZDMDMGCMLBOQD-LCMLCXGQSA-N 2 0 294.483 2.923 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000093453253 619024234 /nfs/dbraw/zinc/02/42/34/619024234.db2.gz CEGPSJDYZHWWLI-MELADBBJSA-N 2 0 250.411 2.758 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093488537 619030095 /nfs/dbraw/zinc/03/00/95/619030095.db2.gz HHCHMZFDGVRVFL-OKZBNKHCSA-N 2 0 293.499 2.760 20 0 CFADRP CCSc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000925733447 619042480 /nfs/dbraw/zinc/04/24/80/619042480.db2.gz UQHIWXJUNBYHII-JSGCOSHPSA-N 2 0 264.438 2.886 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000925734879 619044559 /nfs/dbraw/zinc/04/45/59/619044559.db2.gz CFRZSXAZVFIOAR-ZBFHGGJFSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925738149 619048531 /nfs/dbraw/zinc/04/85/31/619048531.db2.gz VZHWGAIKQZVVJF-HOTGVXAUSA-N 2 0 274.408 2.932 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925738564 619049067 /nfs/dbraw/zinc/04/90/67/619049067.db2.gz YXZQGRKMHZZGPI-XJFOESAGSA-N 2 0 272.383 2.790 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000925740371 619049861 /nfs/dbraw/zinc/04/98/61/619049861.db2.gz JQYORXPHUURFAQ-OLZOCXBDSA-N 2 0 264.413 2.904 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])ccc1F ZINC000925740379 619050226 /nfs/dbraw/zinc/05/02/26/619050226.db2.gz JRXLJMFINWMEON-SNVBAGLBSA-N 2 0 254.349 2.612 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925765397 619076395 /nfs/dbraw/zinc/07/63/95/619076395.db2.gz BFCDMCPVZZEKFX-BLLLJJGKSA-N 2 0 271.364 2.530 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000094368453 619105359 /nfs/dbraw/zinc/10/53/59/619105359.db2.gz FNKCLSCKQZOZRR-HOTGVXAUSA-N 2 0 292.467 2.942 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925788860 619113671 /nfs/dbraw/zinc/11/36/71/619113671.db2.gz CIYRDRHVJOGZNY-KEYYUXOJSA-N 2 0 298.434 2.687 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000925802411 619122681 /nfs/dbraw/zinc/12/26/81/619122681.db2.gz GBHAOSALUYNJCC-TUVASFSCSA-N 2 0 256.409 2.740 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802437 619122693 /nfs/dbraw/zinc/12/26/93/619122693.db2.gz GVVWBQIYZIYVDE-GRYCIOLGSA-N 2 0 268.426 2.653 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000925802788 619123239 /nfs/dbraw/zinc/12/32/39/619123239.db2.gz IWBYCILQYGUOLQ-YFHUEUNASA-N 2 0 287.451 2.943 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808740 619127522 /nfs/dbraw/zinc/12/75/22/619127522.db2.gz DYZCHHIETYLIQC-HZPDHXFCSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810364 619128827 /nfs/dbraw/zinc/12/88/27/619128827.db2.gz ZQVQIXNCSZHUBL-IAGOWNOFSA-N 3 0 281.488 2.796 20 0 CFADRP C[C@H]1NCCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925825251 619146875 /nfs/dbraw/zinc/14/68/75/619146875.db2.gz YRQGNQFVTHCAJY-KZYLPZIUSA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893684321 619155902 /nfs/dbraw/zinc/15/59/02/619155902.db2.gz AUEUINFAYDOCSX-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@]12CCC[C@H]1OCC2 ZINC000925830019 619160750 /nfs/dbraw/zinc/16/07/50/619160750.db2.gz DXWWTMYXUWTRES-BSDSXHPESA-N 2 0 292.467 2.704 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925830365 619161121 /nfs/dbraw/zinc/16/11/21/619161121.db2.gz CVPMGXORLNBYGJ-KNZXXDILSA-N 2 0 276.346 2.551 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830915 619162291 /nfs/dbraw/zinc/16/22/91/619162291.db2.gz GPMONUQZGMKGEU-YXCITZCRSA-N 2 0 286.341 2.733 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000119613758 619163876 /nfs/dbraw/zinc/16/38/76/619163876.db2.gz OYFMKXBZLZQBGC-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)c2ccccc21 ZINC000925838334 619169848 /nfs/dbraw/zinc/16/98/48/619169848.db2.gz WJVLCVYOUUZYPW-QZTJIDSGSA-N 2 0 293.414 2.784 20 0 CFADRP CC[C@H](C)[N@H+](C)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261574757 619171863 /nfs/dbraw/zinc/17/18/63/619171863.db2.gz XQSWHWGQVQBTQX-HRCADAONSA-N 2 0 269.477 2.617 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000925843061 619175744 /nfs/dbraw/zinc/17/57/44/619175744.db2.gz YWGPJMOXMDERQG-KBPBESRZSA-N 2 0 273.380 2.538 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845629 619177448 /nfs/dbraw/zinc/17/74/48/619177448.db2.gz MQKFAEWULUFRKN-QJPTWQEYSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925862018 619188500 /nfs/dbraw/zinc/18/85/00/619188500.db2.gz VUMFMVVGGNHCKZ-QQFBHYJXSA-N 3 0 267.461 2.501 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000925862331 619188579 /nfs/dbraw/zinc/18/85/79/619188579.db2.gz ZTYJHKOBELSBEX-UPJWGTAASA-N 2 0 254.443 2.535 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235136981 619190020 /nfs/dbraw/zinc/19/00/20/619190020.db2.gz QJJRSHQOPCRTNC-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000261664756 619196523 /nfs/dbraw/zinc/19/65/23/619196523.db2.gz AFHVRIJZQLDBHD-UONOGXRCSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000925879383 619199709 /nfs/dbraw/zinc/19/97/09/619199709.db2.gz CQYUAUFVJJAGFX-IAOVAPTHSA-N 2 0 258.409 2.651 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Br)nc1 ZINC000925879716 619200123 /nfs/dbraw/zinc/20/01/23/619200123.db2.gz IZLAWFWCHTVOSH-FOGDFJRCSA-N 2 0 298.228 2.622 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000925881719 619201444 /nfs/dbraw/zinc/20/14/44/619201444.db2.gz FAXIENROAKKNBD-UMNHJUIQSA-N 2 0 253.777 2.513 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2OCCc3ccccc32)C12CCC2 ZINC000925881810 619201759 /nfs/dbraw/zinc/20/17/59/619201759.db2.gz VAYNTILKUQMZIL-ZACQAIPSSA-N 2 0 286.419 2.550 20 0 CFADRP COC[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(F)c(F)c1 ZINC000843340333 619209900 /nfs/dbraw/zinc/20/99/00/619209900.db2.gz BDGUKQZKZCSXTJ-OAHLLOKOSA-N 2 0 286.366 2.761 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245985752 619221463 /nfs/dbraw/zinc/22/14/63/619221463.db2.gz PZWFMJIRDLADTM-KGLIPLIRSA-N 2 0 278.444 2.881 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(F)(F)F)C[C@H]1C ZINC000878163152 619255572 /nfs/dbraw/zinc/25/55/72/619255572.db2.gz OAZIWQYBJDOMCP-VXGBXAGGSA-N 2 0 282.350 2.718 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924910661 619277803 /nfs/dbraw/zinc/27/78/03/619277803.db2.gz VKMMVPXFIUQARR-ZIAGYGMSSA-N 2 0 264.413 2.824 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CC(SC)C2)CC1 ZINC000924955406 619301088 /nfs/dbraw/zinc/30/10/88/619301088.db2.gz OJQGWXPFWJSQAM-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924958751 619302910 /nfs/dbraw/zinc/30/29/10/619302910.db2.gz HITMLQRAUGPEFI-HZPDHXFCSA-N 2 0 275.440 2.723 20 0 CFADRP Cc1cccc2c1[C@@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000924963878 619306618 /nfs/dbraw/zinc/30/66/18/619306618.db2.gz MXLRPWXDYAVFNK-INIZCTEOSA-N 2 0 258.409 2.914 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924964162 619306658 /nfs/dbraw/zinc/30/66/58/619306658.db2.gz JKPCGYAGIPENIC-HZPDHXFCSA-N 2 0 283.504 2.529 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000894375364 619356760 /nfs/dbraw/zinc/35/67/60/619356760.db2.gz KFVCJCROZPXNPI-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ocnc1C ZINC000894383399 619361101 /nfs/dbraw/zinc/36/11/01/619361101.db2.gz ICTUIACPIQMCQY-LBPRGKRZSA-N 2 0 253.390 2.583 20 0 CFADRP CSc1cccc(F)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000894389909 619364241 /nfs/dbraw/zinc/36/42/41/619364241.db2.gz VXNVFHMUQZKBCE-UHFFFAOYSA-N 2 0 282.428 2.979 20 0 CFADRP Cc1cc(F)ncc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894479203 619397163 /nfs/dbraw/zinc/39/71/63/619397163.db2.gz MDPNLYXGINCLLX-HNNXBMFYSA-N 2 0 291.414 2.693 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nccn1-c1ccccc1 ZINC000894510570 619405711 /nfs/dbraw/zinc/40/57/11/619405711.db2.gz DQVZMQWOFSFPDO-OAHLLOKOSA-N 2 0 298.434 2.865 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2c(F)cc(F)cc2F)CC1 ZINC000894631102 619433242 /nfs/dbraw/zinc/43/32/42/619433242.db2.gz BDEGJHCNWMLQSM-UHFFFAOYSA-N 2 0 272.314 2.535 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3c2NCCC3)C1 ZINC000894780942 619465873 /nfs/dbraw/zinc/46/58/73/619465873.db2.gz AUIRBLRSQQKIAY-WMZOPIPTSA-N 2 0 299.462 2.961 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(Cl)cn2)C1 ZINC000894783794 619466622 /nfs/dbraw/zinc/46/66/22/619466622.db2.gz XUPTUNZRQOPXON-DOMZBBRYSA-N 2 0 279.815 2.651 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(Cc3ccccc3)C2)CC1 ZINC000894820604 619472748 /nfs/dbraw/zinc/47/27/48/619472748.db2.gz ZHWRIJMIOHAUAX-UHFFFAOYSA-N 2 0 258.409 2.503 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(Cc3ccc(F)cc3)C2)CC1 ZINC000894824392 619474384 /nfs/dbraw/zinc/47/43/84/619474384.db2.gz GULFZMZZWAORMI-UHFFFAOYSA-N 2 0 276.399 2.642 20 0 CFADRP C[C@@H]1CC2(CC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2)CO1 ZINC000925086756 619479142 /nfs/dbraw/zinc/47/91/42/619479142.db2.gz RZIAJRHSZAKZED-HCEZTOJASA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000793002634 619504200 /nfs/dbraw/zinc/50/42/00/619504200.db2.gz ZPWSZDOTEAAJTD-VXLLPVPCSA-N 2 0 280.456 2.798 20 0 CFADRP c1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262079654 619509473 /nfs/dbraw/zinc/50/94/73/619509473.db2.gz SYELOZKIAPCKIJ-UHFFFAOYSA-N 2 0 296.418 2.652 20 0 CFADRP C[C@H]1C[N@H+](C[C@@]2(C)CCCS2)CCN1c1cc[nH+]cc1 ZINC000895556603 619554692 /nfs/dbraw/zinc/55/46/92/619554692.db2.gz LISHKKPGZMEGQE-GOEBONIOSA-N 2 0 291.464 2.878 20 0 CFADRP COC1(C[NH+]2CCC(C)([NH+]3CCC3)CC2)CCCC1 ZINC000895671524 619583020 /nfs/dbraw/zinc/58/30/20/619583020.db2.gz QDPYAKGBAURUAN-UHFFFAOYSA-N 2 0 266.429 2.506 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)nc1 ZINC000895683518 619585706 /nfs/dbraw/zinc/58/57/06/619585706.db2.gz NAQDAVQNMMZIDD-UHFFFAOYSA-N 2 0 279.403 2.919 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000895739954 619594042 /nfs/dbraw/zinc/59/40/42/619594042.db2.gz KSAOPSYORJOZLI-UHFFFAOYSA-N 3 0 293.499 2.669 20 0 CFADRP COc1cc2c(N[C@@H]3CC[N@H+](C)[C@@H]3C)cc[nH+]c2cc1F ZINC000895736635 619597269 /nfs/dbraw/zinc/59/72/69/619597269.db2.gz ODEPFXXITDAMFY-ZWNOBZJWSA-N 2 0 289.354 2.887 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CC1 ZINC000895820871 619614817 /nfs/dbraw/zinc/61/48/17/619614817.db2.gz AVFQVLSRAHYGAY-QGZVFWFLSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000895857570 619624113 /nfs/dbraw/zinc/62/41/13/619624113.db2.gz LUWNWTMSRSDBCH-CHWSQXEVSA-N 2 0 276.346 2.815 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2cnc3ccccc3c2)CC1 ZINC000896829931 619832714 /nfs/dbraw/zinc/83/27/14/619832714.db2.gz ACNIFQYROKZSON-UHFFFAOYSA-N 2 0 283.419 2.709 20 0 CFADRP COc1ccc(C[NH+](C)C)cc1NCC1CC[NH+](C)CC1 ZINC000054241227 619858801 /nfs/dbraw/zinc/85/88/01/619858801.db2.gz XDSFWEGVAVXENH-UHFFFAOYSA-N 2 0 291.439 2.511 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000896914328 619884578 /nfs/dbraw/zinc/88/45/78/619884578.db2.gz AEABKIPDBSFZKS-SCLBCKFNSA-N 2 0 297.402 2.631 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCOCC3CCC3)C2)CC1 ZINC000842158165 619931279 /nfs/dbraw/zinc/93/12/79/619931279.db2.gz JQPHXAVPEYRHOB-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCCN1CCC(O)CC1 ZINC000179104509 619988927 /nfs/dbraw/zinc/98/89/27/619988927.db2.gz YEPYMGAJMMENTE-IKGGRYGDSA-N 2 0 294.483 2.638 20 0 CFADRP CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925243209 620064873 /nfs/dbraw/zinc/06/48/73/620064873.db2.gz FBCJWNUGAZPGLC-LSDHHAIUSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+](C)C)c1 ZINC000925266040 620109290 /nfs/dbraw/zinc/10/92/90/620109290.db2.gz WLBOKBDVHIAKFV-CXAGYDPISA-N 2 0 298.434 2.679 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCC(C)(C)CO2)CC1 ZINC000897476885 620182660 /nfs/dbraw/zinc/18/26/60/620182660.db2.gz YPYXCOKZYISYMP-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000897508762 620197737 /nfs/dbraw/zinc/19/77/37/620197737.db2.gz SBFSBEBNOLICFR-HZPDHXFCSA-N 2 0 280.456 2.797 20 0 CFADRP CCCCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000832544303 625408079 /nfs/dbraw/zinc/40/80/79/625408079.db2.gz MQPUIQXQFXTWFC-UHFFFAOYSA-N 2 0 269.477 2.572 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000897771313 620278917 /nfs/dbraw/zinc/27/89/17/620278917.db2.gz BUFXVTAPZZWQMY-OAHLLOKOSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H](CCO)C2CCCC2)CC1 ZINC000897885388 620298123 /nfs/dbraw/zinc/29/81/23/620298123.db2.gz IMFBNTGQQAWPIX-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000897952724 620310122 /nfs/dbraw/zinc/31/01/22/620310122.db2.gz JPPSKGLDVAAHGK-KBAYOESNSA-N 2 0 288.435 2.905 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@@H](C)C1 ZINC000898048675 620321702 /nfs/dbraw/zinc/32/17/02/620321702.db2.gz PGAJCJLEMHGHEY-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCN1c1ccccc1 ZINC000898067136 620330964 /nfs/dbraw/zinc/33/09/64/620330964.db2.gz ARONILJCKMVXQO-MRXNPFEDSA-N 2 0 287.451 2.539 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)(C)O ZINC000898124988 620337077 /nfs/dbraw/zinc/33/70/77/620337077.db2.gz BZUJSXFGUMKHSL-DZKIICNBSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898204443 620345092 /nfs/dbraw/zinc/34/50/92/620345092.db2.gz UPNHDSZUIASBQV-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCCC1 ZINC000898261593 620360155 /nfs/dbraw/zinc/36/01/55/620360155.db2.gz TWBFJADAQAYCIY-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924627177 620420346 /nfs/dbraw/zinc/42/03/46/620420346.db2.gz CRMWYDOMLPPSQR-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924627078 620420398 /nfs/dbraw/zinc/42/03/98/620420398.db2.gz CRMWYDOMLPPSQR-HZPDHXFCSA-N 2 0 295.515 2.817 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000924646721 620431965 /nfs/dbraw/zinc/43/19/65/620431965.db2.gz DYNSPJYUVUYPTA-JTDSTZFVSA-N 2 0 299.462 2.867 20 0 CFADRP CCO[C@@H](C[NH2+][C@H](C)CCC=C(C)C)CN(C)C ZINC000926967033 620434307 /nfs/dbraw/zinc/43/43/07/620434307.db2.gz ZMNNNARFYCPEPO-CABCVRRESA-N 2 0 256.434 2.678 20 0 CFADRP CC[C@H]1C[C@@H](C[N@H+](C)CCCCCC[NH3+])CCO1 ZINC000873231765 620437148 /nfs/dbraw/zinc/43/71/48/620437148.db2.gz VEBLHNJZJIXYIU-GJZGRUSLSA-N 2 0 256.434 2.643 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnnc1 ZINC000924689191 620440939 /nfs/dbraw/zinc/44/09/39/620440939.db2.gz XAUSCHKFWAPYDH-CABCVRRESA-N 2 0 276.428 2.639 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000924716791 620451858 /nfs/dbraw/zinc/45/18/58/620451858.db2.gz QRPWLDQZVOEXEF-QGZVFWFLSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000924717465 620452508 /nfs/dbraw/zinc/45/25/08/620452508.db2.gz VCVYUIWVJJMWBC-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](C[NH2+][C@H](C)Cc1ccccn1)C[NH+]1CCCCC1 ZINC000924722665 620454170 /nfs/dbraw/zinc/45/41/70/620454170.db2.gz SYRGUKXRWAJMCX-HZPDHXFCSA-N 2 0 275.440 2.724 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cccc(F)c1 ZINC000054602076 620454626 /nfs/dbraw/zinc/45/46/26/620454626.db2.gz LIQHATDZURCHSE-MQVJKMGUSA-N 2 0 262.372 2.712 20 0 CFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000898481469 620468010 /nfs/dbraw/zinc/46/80/10/620468010.db2.gz RSEYEZFEQNLOCJ-HIFRSBDPSA-N 2 0 296.455 2.571 20 0 CFADRP CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924744696 620506815 /nfs/dbraw/zinc/50/68/15/620506815.db2.gz BDVYDPRSDXEMQK-MAUKXSAKSA-N 2 0 289.467 2.883 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC000899321960 620543194 /nfs/dbraw/zinc/54/31/94/620543194.db2.gz BPQYZFHCRSCPFC-CYBMUJFWSA-N 2 0 282.391 2.587 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000902067180 620973837 /nfs/dbraw/zinc/97/38/37/620973837.db2.gz UPWIFORYTTUAEQ-HNNXBMFYSA-N 2 0 278.444 2.505 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2NC)C1 ZINC000902133033 620979521 /nfs/dbraw/zinc/97/95/21/620979521.db2.gz XAYVMRQQMRTIKF-HNNXBMFYSA-N 2 0 275.440 2.858 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000902198860 620996691 /nfs/dbraw/zinc/99/66/91/620996691.db2.gz JKIAYTRXNHJNGJ-OAHLLOKOSA-N 2 0 275.440 2.938 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346967 621034235 /nfs/dbraw/zinc/03/42/35/621034235.db2.gz NOHZYESELYBBDF-OIISXLGYSA-N 2 0 290.451 2.866 20 0 CFADRP CCOCC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902347220 621034346 /nfs/dbraw/zinc/03/43/46/621034346.db2.gz GYDYKQUSXIKCAA-OAHLLOKOSA-N 2 0 286.366 2.761 20 0 CFADRP [NH3+]CCCC[C@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1F ZINC000902347746 621035228 /nfs/dbraw/zinc/03/52/28/621035228.db2.gz VBLDPPUWCBZYIC-BBRMVZONSA-N 2 0 298.377 2.904 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)C1 ZINC000902326757 621037476 /nfs/dbraw/zinc/03/74/76/621037476.db2.gz DRWQCJKUFQRHEK-DLBZAZTESA-N 2 0 290.451 2.520 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1ccc(F)cc1 ZINC000902334066 621040168 /nfs/dbraw/zinc/04/01/68/621040168.db2.gz PQYGGTKMDFFXCK-ZFWWWQNUSA-N 2 0 294.414 2.961 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCSCC(F)(F)F)C1 ZINC000902368835 621043255 /nfs/dbraw/zinc/04/32/55/621043255.db2.gz GZWLCEVVOKFASD-SNVBAGLBSA-N 2 0 284.391 2.650 20 0 CFADRP CC(C)(C)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902372985 621044881 /nfs/dbraw/zinc/04/48/81/621044881.db2.gz UTAKCRLEMZJXGY-QLFBSQMISA-N 2 0 282.472 2.948 20 0 CFADRP CO[C@H](C)C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902377509 621047275 /nfs/dbraw/zinc/04/72/75/621047275.db2.gz RBTINVPDCABJDL-IAQYHMDHSA-N 2 0 286.366 2.759 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902360085 621052520 /nfs/dbraw/zinc/05/25/20/621052520.db2.gz DZFCGITXBPRPAD-INIZCTEOSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](O)c1cccc(F)c1 ZINC000902363150 621053558 /nfs/dbraw/zinc/05/35/58/621053558.db2.gz VBNAMFNDROVNJC-MAZHCROVSA-N 2 0 294.414 2.615 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000902383294 621059834 /nfs/dbraw/zinc/05/98/34/621059834.db2.gz KXCYYKAQQLCGNX-RYUDHWBXSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000902389488 621061812 /nfs/dbraw/zinc/06/18/12/621061812.db2.gz USMUWLKIWJCJEO-HZPDHXFCSA-N 2 0 288.435 2.666 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCCO1 ZINC000902391927 621062736 /nfs/dbraw/zinc/06/27/36/621062736.db2.gz IYLDCIMPDOFASN-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCCO1 ZINC000902391929 621062900 /nfs/dbraw/zinc/06/29/00/621062900.db2.gz IYLDCIMPDOFASN-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902392832 621063651 /nfs/dbraw/zinc/06/36/51/621063651.db2.gz KGGVNAPSONITRA-BBRMVZONSA-N 3 0 275.440 2.574 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCC23CC3)C1 ZINC000902396220 621064915 /nfs/dbraw/zinc/06/49/15/621064915.db2.gz JEOKSNURBLTURY-KGLIPLIRSA-N 2 0 250.430 2.935 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000902400372 621067276 /nfs/dbraw/zinc/06/72/76/621067276.db2.gz RAUFOXSEAZAEJT-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902403998 621069603 /nfs/dbraw/zinc/06/96/03/621069603.db2.gz HDNYFRPYZQQYTO-ISXOHVOVSA-N 3 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)C1 ZINC000902405894 621069979 /nfs/dbraw/zinc/06/99/79/621069979.db2.gz LIXRBVYPCOAAGM-GJZGRUSLSA-N 2 0 280.456 2.846 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000902431771 621077940 /nfs/dbraw/zinc/07/79/40/621077940.db2.gz UNZSLWRVRBXFTA-OWSLCNJRSA-N 2 0 292.467 2.702 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCC[NH2+]1 ZINC000902442220 621081941 /nfs/dbraw/zinc/08/19/41/621081941.db2.gz AFZZSYICQHMHHA-YUSLTOFOSA-N 2 0 254.443 2.533 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCC[NH2+]1 ZINC000902442218 621081988 /nfs/dbraw/zinc/08/19/88/621081988.db2.gz AFZZSYICQHMHHA-GTGGMXTKSA-N 2 0 254.443 2.533 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902450035 621091529 /nfs/dbraw/zinc/09/15/29/621091529.db2.gz CAFZKBIFANFOGF-FRRDWIJNSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2nonc2c1 ZINC000902452771 621092504 /nfs/dbraw/zinc/09/25/04/621092504.db2.gz ANYYUNCGEHFIOQ-TZMCWYRMSA-N 2 0 288.395 2.623 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902454118 621093756 /nfs/dbraw/zinc/09/37/56/621093756.db2.gz FVJYHIHITITZPP-STQMWFEESA-N 2 0 260.372 2.919 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000902455770 621094154 /nfs/dbraw/zinc/09/41/54/621094154.db2.gz YYGBSQGQTWMNIB-OLZOCXBDSA-N 2 0 268.470 2.925 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902455846 621094386 /nfs/dbraw/zinc/09/43/86/621094386.db2.gz NFOOZQCJJXIHFZ-UAXWRAGISA-N 2 0 259.397 2.688 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cncs1 ZINC000902458129 621094592 /nfs/dbraw/zinc/09/45/92/621094592.db2.gz UBCUDODCZMVABC-AXFHLTTASA-N 2 0 253.415 2.700 20 0 CFADRP c1ccc(C[C@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902465228 621098632 /nfs/dbraw/zinc/09/86/32/621098632.db2.gz GTLWDZDAXAZZKM-DISONHOPSA-N 2 0 270.420 2.880 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnn(CC2CCC2)c1 ZINC000902505792 621106929 /nfs/dbraw/zinc/10/69/29/621106929.db2.gz UBFTVIDDCRTRRX-VBNZEHGJSA-N 2 0 276.428 2.604 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000902484737 621111041 /nfs/dbraw/zinc/11/10/41/621111041.db2.gz HAIAOYQOQOLFIA-TUUVXOQKSA-N 2 0 258.409 2.896 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000902485952 621111489 /nfs/dbraw/zinc/11/14/89/621111489.db2.gz CWPGHFXGBCTVGA-JTNHKYCSSA-N 2 0 280.799 2.881 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000902486543 621111912 /nfs/dbraw/zinc/11/19/12/621111912.db2.gz AIJQKJBNTGVUFN-IRUJWGPZSA-N 2 0 266.385 2.690 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486726 621112175 /nfs/dbraw/zinc/11/21/75/621112175.db2.gz RQLWFUDDDUTGQY-DARAHFNDSA-N 2 0 274.408 2.559 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000902488586 621112415 /nfs/dbraw/zinc/11/24/15/621112415.db2.gz NIGSDCDCLLOXAG-NHCYSSNCSA-N 2 0 270.323 2.676 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000902489342 621113196 /nfs/dbraw/zinc/11/31/96/621113196.db2.gz PFONMNFNBNEOGH-XNRPHZJLSA-N 2 0 262.397 2.719 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000902515744 621114879 /nfs/dbraw/zinc/11/48/79/621114879.db2.gz YWHIDUNVLSLHAC-RCCFBDPRSA-N 2 0 287.451 2.833 20 0 CFADRP CNc1ccccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000902621831 621136996 /nfs/dbraw/zinc/13/69/96/621136996.db2.gz QLHNXAMTFJCADQ-UHFFFAOYSA-N 2 0 287.451 2.940 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902720664 621156685 /nfs/dbraw/zinc/15/66/85/621156685.db2.gz LXTFWNKOVNTHCQ-GQLSEVEHSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170334 625468973 /nfs/dbraw/zinc/46/89/73/625468973.db2.gz JRYJHUZAMDHUAT-ZDUSSCGKSA-N 2 0 276.424 2.830 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902766864 621169324 /nfs/dbraw/zinc/16/93/24/621169324.db2.gz TWJGNPCTLXYHNP-QXDIGNSFSA-N 2 0 294.483 2.902 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902779723 621171685 /nfs/dbraw/zinc/17/16/85/621171685.db2.gz ZEHDHCLKQCFBID-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902779726 621172061 /nfs/dbraw/zinc/17/20/61/621172061.db2.gz ZEHDHCLKQCFBID-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP COC(=O)c1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c(C)c1 ZINC000902780437 621172087 /nfs/dbraw/zinc/17/20/87/621172087.db2.gz JAAOAIMOHXEENO-CQSZACIVSA-N 2 0 292.423 2.774 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902780892 621172401 /nfs/dbraw/zinc/17/24/01/621172401.db2.gz XBJKHEABTKZIMV-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902808489 621175447 /nfs/dbraw/zinc/17/54/47/621175447.db2.gz JNQHYTDFROARQZ-ARFHVFGLSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCCC1 ZINC000902951619 621212995 /nfs/dbraw/zinc/21/29/95/621212995.db2.gz ONRWBAIGZXJIBU-FIDHJVLJSA-N 2 0 292.467 2.512 20 0 CFADRP C[C@@H](Cc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903062764 621237807 /nfs/dbraw/zinc/23/78/07/621237807.db2.gz XHGAADJDTCYXNX-WYQXTGKHSA-N 2 0 274.408 2.958 20 0 CFADRP CC(=O)OCc1cccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000903083314 621246171 /nfs/dbraw/zinc/24/61/71/621246171.db2.gz DSFAJFLWQWSJLW-UONOGXRCSA-N 2 0 292.423 2.741 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000903069093 621249522 /nfs/dbraw/zinc/24/95/22/621249522.db2.gz QYFOMYUNNQDODG-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000903068668 621249527 /nfs/dbraw/zinc/24/95/27/621249527.db2.gz JXVFENGYWAOQFK-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000903098554 621252220 /nfs/dbraw/zinc/25/22/20/621252220.db2.gz QFWMZSJJJXEJAY-MJBXVCDLSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903112269 621259550 /nfs/dbraw/zinc/25/95/50/621259550.db2.gz GRPFPBUNYVBYFE-AZGATIOISA-N 2 0 278.440 2.549 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903112268 621259763 /nfs/dbraw/zinc/25/97/63/621259763.db2.gz GRPFPBUNYVBYFE-AEIJQKHESA-N 2 0 278.440 2.549 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]1C ZINC000903132540 621264417 /nfs/dbraw/zinc/26/44/17/621264417.db2.gz RUDHYUXEZZSJOC-HLPPOEQASA-N 2 0 250.430 2.909 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903146987 621268327 /nfs/dbraw/zinc/26/83/27/621268327.db2.gz LPNIVSZQCZMTBS-AEIJQKHESA-N 2 0 278.440 2.549 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2nccc3c2CCCC3)[C@@H]2CCC[C@H]21 ZINC000903182855 621277455 /nfs/dbraw/zinc/27/74/55/621277455.db2.gz WDKPZXYUSFUXPG-JENIJYKNSA-N 2 0 299.462 2.923 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903200127 621283162 /nfs/dbraw/zinc/28/31/62/621283162.db2.gz OQTQJAPVGYIHFV-YTTRVJOFSA-N 2 0 291.483 2.607 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)ccc21 ZINC000903202362 621284015 /nfs/dbraw/zinc/28/40/15/621284015.db2.gz BAPPGZHESMPWAF-ZOBUZTSGSA-N 2 0 298.434 2.536 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000903189861 621285792 /nfs/dbraw/zinc/28/57/92/621285792.db2.gz JOXWALQNHSVXDQ-NRXISQOPSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000903212120 621289519 /nfs/dbraw/zinc/28/95/19/621289519.db2.gz KAZBFDGDPXKYNU-HOTGVXAUSA-N 2 0 268.445 2.654 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000903217186 621291364 /nfs/dbraw/zinc/29/13/64/621291364.db2.gz QWRNRMIZIJCRQN-IXPSZYMGSA-N 2 0 290.451 2.691 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000903244334 621295626 /nfs/dbraw/zinc/29/56/26/621295626.db2.gz RLOSHTZWEZMURS-IKGGRYGDSA-N 2 0 294.483 2.902 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000903252862 621299758 /nfs/dbraw/zinc/29/97/58/621299758.db2.gz NYFPHOWGTCVJBX-MOUFXGFKSA-N 2 0 290.451 2.691 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)[C@H](C)C1 ZINC000903320062 621321306 /nfs/dbraw/zinc/32/13/06/621321306.db2.gz YWBDBPOQRNUUHD-MDMSPXHWSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@H]2CCC[C@H]21 ZINC000903323326 621323489 /nfs/dbraw/zinc/32/34/89/621323489.db2.gz JOVLALQABNAPFL-OWQJAQGESA-N 2 0 292.467 2.797 20 0 CFADRP CC[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000903353764 621345305 /nfs/dbraw/zinc/34/53/05/621345305.db2.gz GLIVKFXOQNQKQZ-AWEZNQCLSA-N 2 0 298.471 2.817 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cccnc1 ZINC000903379836 621355471 /nfs/dbraw/zinc/35/54/71/621355471.db2.gz ZFIUWFAVPDLCPF-HZPDHXFCSA-N 2 0 273.424 2.997 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382544 621356198 /nfs/dbraw/zinc/35/61/98/621356198.db2.gz GFZXCYIXMZUZHE-VNQPRFMTSA-N 2 0 261.413 2.853 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903426444 621370516 /nfs/dbraw/zinc/37/05/16/621370516.db2.gz JHKQMGZNIDUQKO-KFWWJZLASA-N 2 0 282.378 2.998 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000903429265 621370946 /nfs/dbraw/zinc/37/09/46/621370946.db2.gz BZTSFRGIZSFYMD-HYVNUMGLSA-N 2 0 258.409 2.549 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430833 621371682 /nfs/dbraw/zinc/37/16/82/621371682.db2.gz DIWDJSKGVHAUMJ-CABCVRRESA-N 2 0 268.445 2.641 20 0 CFADRP COc1cc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)ccc1SC ZINC000903432422 621372984 /nfs/dbraw/zinc/37/29/84/621372984.db2.gz BGHRVJFIKASPPB-OCCSQVGLSA-N 2 0 294.464 2.704 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903438487 621375395 /nfs/dbraw/zinc/37/53/95/621375395.db2.gz WPHSEDMPYSCXMD-KMFMINBZSA-N 2 0 258.409 2.851 20 0 CFADRP C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903438028 621375539 /nfs/dbraw/zinc/37/55/39/621375539.db2.gz PSRDLXAMPDDYJV-SCRDCRAPSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000903439380 621376124 /nfs/dbraw/zinc/37/61/24/621376124.db2.gz IDSIPHXYOKHWDB-OMNBBPDLSA-N 2 0 292.398 2.715 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440462 621377111 /nfs/dbraw/zinc/37/71/11/621377111.db2.gz YYSZUPYAAKGABV-HYVNUMGLSA-N 2 0 260.425 2.795 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000903422304 621378214 /nfs/dbraw/zinc/37/82/14/621378214.db2.gz XNZPILOUPDJVGN-CYBMUJFWSA-N 2 0 264.438 2.969 20 0 CFADRP CC[N@H+](CCC1CCN(C[C@H]2CCC[NH2+]2)CC1)CC1CC1 ZINC000903457542 621379906 /nfs/dbraw/zinc/37/99/06/621379906.db2.gz WOFSWZXGYFOGMQ-GOSISDBHSA-N 2 0 293.499 2.572 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000903424816 621380139 /nfs/dbraw/zinc/38/01/39/621380139.db2.gz HUTLZOADUICMFE-OAHLLOKOSA-N 2 0 259.397 2.973 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000903459316 621380691 /nfs/dbraw/zinc/38/06/91/621380691.db2.gz SVBBHEASQAXWIJ-FMKPAKJESA-N 2 0 284.407 2.650 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCc2ccc(F)cc21 ZINC000903461037 621381016 /nfs/dbraw/zinc/38/10/16/621381016.db2.gz NNLRNEMAAJMJFW-ZENOOKHLSA-N 2 0 276.399 2.915 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@@H]1CC[NH3+] ZINC000903461007 621381549 /nfs/dbraw/zinc/38/15/49/621381549.db2.gz LVEOFUVBLFFITB-RKQHYHRCSA-N 2 0 272.383 2.727 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)C[C@@H]21 ZINC000903463816 621382092 /nfs/dbraw/zinc/38/20/92/621382092.db2.gz OJOYNQAINSEBCC-MIGQKNRLSA-N 2 0 298.421 2.989 20 0 CFADRP C(COC1CCSCC1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000903445331 621383844 /nfs/dbraw/zinc/38/38/44/621383844.db2.gz HDAHZYPOCXDRAS-JKSUJKDBSA-N 2 0 298.496 2.505 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000903446456 621384366 /nfs/dbraw/zinc/38/43/66/621384366.db2.gz WYNKMNVWHVWMRE-ILXRZTDVSA-N 2 0 261.413 2.532 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C[C@@H]21 ZINC000903453974 621387270 /nfs/dbraw/zinc/38/72/70/621387270.db2.gz QNRODPRVRLQOPJ-YYFQZIEXSA-N 2 0 284.394 2.599 20 0 CFADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457103 621388641 /nfs/dbraw/zinc/38/86/41/621388641.db2.gz NOEGJWKVFRBZJB-QLFBSQMISA-N 2 0 276.428 2.557 20 0 CFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903470790 621389311 /nfs/dbraw/zinc/38/93/11/621389311.db2.gz CYISYBKPFTZLEF-NWDGAFQWSA-N 2 0 258.356 2.686 20 0 CFADRP C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1ccccc1 ZINC000903481844 621391654 /nfs/dbraw/zinc/39/16/54/621391654.db2.gz OEBQXIOLDFWWFW-FSDCSDTHSA-N 2 0 258.409 2.925 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC000903481818 621391683 /nfs/dbraw/zinc/39/16/83/621391683.db2.gz NQUOGAGBQWQLMP-XQLPTFJDSA-N 2 0 284.394 2.743 20 0 CFADRP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903482208 621392186 /nfs/dbraw/zinc/39/21/86/621392186.db2.gz ZJMNQUXBXDRTHM-NEPJUHHUSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1C[N@H+](CCCCC(F)(F)F)C[C@H]1CC[NH3+] ZINC000903498763 621394093 /nfs/dbraw/zinc/39/40/93/621394093.db2.gz DFGLMNQHZPITLE-GHMZBOCLSA-N 2 0 252.324 2.636 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cc2c1 ZINC000903499649 621394295 /nfs/dbraw/zinc/39/42/95/621394295.db2.gz XPNUEBLGSGZENN-GDBMZVCRSA-N 2 0 283.419 2.960 20 0 CFADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903564541 621396471 /nfs/dbraw/zinc/39/64/71/621396471.db2.gz YYPLZKOSDFUFLE-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903565619 621396514 /nfs/dbraw/zinc/39/65/14/621396514.db2.gz OCHXOJQSRQSMAH-HZSPNIEDSA-N 2 0 279.453 2.525 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000903717565 621424675 /nfs/dbraw/zinc/42/46/75/621424675.db2.gz RVPKIRUQQSIBOG-CQSZACIVSA-N 2 0 288.794 2.821 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717986 621424907 /nfs/dbraw/zinc/42/49/07/621424907.db2.gz GWTBMGLGLCIROG-CVEARBPZSA-N 2 0 294.826 2.540 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903718855 621425444 /nfs/dbraw/zinc/42/54/44/621425444.db2.gz SJFUHJWRQWKHPI-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903718840 621425606 /nfs/dbraw/zinc/42/56/06/621425606.db2.gz RSZMGLPCGUGUCV-YCPHGPKFSA-N 2 0 292.448 2.654 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722445 621426658 /nfs/dbraw/zinc/42/66/58/621426658.db2.gz AWRDCEKOTLZEJR-CKEIUWERSA-N 2 0 292.398 2.587 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000903724172 621427753 /nfs/dbraw/zinc/42/77/53/621427753.db2.gz LPKBWBMRJMPVKO-FGTMMUONSA-N 2 0 292.467 2.800 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903746122 621431938 /nfs/dbraw/zinc/43/19/38/621431938.db2.gz FRFLWZHJAUKWDI-XQQFMLRXSA-N 2 0 294.361 2.547 20 0 CFADRP FCc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903749923 621432547 /nfs/dbraw/zinc/43/25/47/621432547.db2.gz SKPOGLQABVPYMH-INIZCTEOSA-N 2 0 276.399 2.978 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000903750115 621432639 /nfs/dbraw/zinc/43/26/39/621432639.db2.gz VCTRKBQXGSVYNC-JKSUJKDBSA-N 2 0 273.424 2.520 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903752034 621433090 /nfs/dbraw/zinc/43/30/90/621433090.db2.gz OZZHJKUXPKLCFT-RDJZCZTQSA-N 2 0 273.424 2.662 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCCC2(CCCC2)C1 ZINC000903753728 621433411 /nfs/dbraw/zinc/43/34/11/621433411.db2.gz XRSCUWGUMMFXGU-INIZCTEOSA-N 2 0 292.467 2.801 20 0 CFADRP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903763236 621436731 /nfs/dbraw/zinc/43/67/31/621436731.db2.gz JALQVAMXCGZQKY-BBWFWOEESA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCC(C2CCC2)CC1 ZINC000903766107 621437239 /nfs/dbraw/zinc/43/72/39/621437239.db2.gz OSOGIHGBRQYJIU-KRWDZBQOSA-N 2 0 292.467 2.657 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000903766615 621437273 /nfs/dbraw/zinc/43/72/73/621437273.db2.gz BBWFTCZHARYNBI-FUHWJXTLSA-N 2 0 292.467 2.801 20 0 CFADRP C[C@@H]1C[NH+](C[C@H]2CCCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000903769864 621437873 /nfs/dbraw/zinc/43/78/73/621437873.db2.gz QHUMQJUXIJQBFE-UPJWGTAASA-N 2 0 260.372 2.599 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903758525 621438533 /nfs/dbraw/zinc/43/85/33/621438533.db2.gz LRMJJMSPMAHWOO-PMPSAXMXSA-N 2 0 268.445 2.559 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)nc1 ZINC000903790457 621438791 /nfs/dbraw/zinc/43/87/91/621438791.db2.gz JOLMOWPGKWJJMA-UHFFFAOYSA-N 2 0 291.439 2.677 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903791118 621439153 /nfs/dbraw/zinc/43/91/53/621439153.db2.gz NGGKPCYOUOOYAZ-UHFFFAOYSA-N 2 0 279.428 2.742 20 0 CFADRP C[C@H](c1cnccn1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792731 621439715 /nfs/dbraw/zinc/43/97/15/621439715.db2.gz HWQCVTBKYKISMN-OAHLLOKOSA-N 2 0 296.418 2.530 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000903778386 621440022 /nfs/dbraw/zinc/44/00/22/621440022.db2.gz MNNRSGREKHRSHA-WBVHZDCISA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2cccnc2)CCC1 ZINC000903811887 621447492 /nfs/dbraw/zinc/44/74/92/621447492.db2.gz PKNCNUZLELEONQ-OAHLLOKOSA-N 2 0 259.397 2.565 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)nc(C)n1 ZINC000903812099 621447606 /nfs/dbraw/zinc/44/76/06/621447606.db2.gz PQNDIPABSGSXRF-MRXNPFEDSA-N 2 0 288.439 2.577 20 0 CFADRP CCCN(CCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000903829951 621451577 /nfs/dbraw/zinc/45/15/77/621451577.db2.gz OWDGXATWFBSXRT-UHFFFAOYSA-N 2 0 289.467 2.712 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC[NH2+]C1 ZINC000903831298 621451591 /nfs/dbraw/zinc/45/15/91/621451591.db2.gz HEXYBTVKUICBPN-VIYLOZMYSA-N 2 0 268.420 2.979 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCSC[C@H]2C)cc1 ZINC000903829154 621451734 /nfs/dbraw/zinc/45/17/34/621451734.db2.gz AVTROTFRYVDZGO-HIFRSBDPSA-N 2 0 294.464 2.565 20 0 CFADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903833922 621452861 /nfs/dbraw/zinc/45/28/61/621452861.db2.gz ZNLBZGXJWBCIIO-IRXDYDNUSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892374 621459426 /nfs/dbraw/zinc/45/94/26/621459426.db2.gz IBXOGGKURUOGEX-HZTRTUMWSA-N 2 0 288.435 2.786 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892375 621459711 /nfs/dbraw/zinc/45/97/11/621459711.db2.gz IBXOGGKURUOGEX-LNRIEFBSSA-N 2 0 288.435 2.786 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)C1CC[NH2+]CC1 ZINC000903876528 621462710 /nfs/dbraw/zinc/46/27/10/621462710.db2.gz YTTWSNQUFMOTOQ-IAGOWNOFSA-N 2 0 280.456 2.515 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903874774 621462823 /nfs/dbraw/zinc/46/28/23/621462823.db2.gz JOEGNSMAUIBCEX-MSOLQXFVSA-N 2 0 294.483 2.905 20 0 CFADRP CC[C@](C)([NH2+]C[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903898356 621466849 /nfs/dbraw/zinc/46/68/49/621466849.db2.gz KCYLCEFOMKEFOC-OCCSQVGLSA-N 2 0 256.340 2.884 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000903898226 621466856 /nfs/dbraw/zinc/46/68/56/621466856.db2.gz MNOCLBIFBNVXBN-GWONACJQSA-N 2 0 280.481 2.877 20 0 CFADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)CC(C)(C)C)cnn1C ZINC000903899199 621466954 /nfs/dbraw/zinc/46/69/54/621466954.db2.gz QPKSDYXXPHKQCO-AWEZNQCLSA-N 2 0 294.487 2.650 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000903899823 621467621 /nfs/dbraw/zinc/46/76/21/621467621.db2.gz VXOLOUVIWRLPGG-SLUKUZTOSA-N 2 0 292.467 2.797 20 0 CFADRP CC1([NH2+]Cc2cccc3c2CC[NH2+]C3)Cc2ccccc2C1 ZINC000903902556 621468824 /nfs/dbraw/zinc/46/88/24/621468824.db2.gz JKKRFQMXMKRCPR-UHFFFAOYSA-N 2 0 292.426 2.979 20 0 CFADRP CC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000903903011 621468861 /nfs/dbraw/zinc/46/88/61/621468861.db2.gz QMURMZWSZFPXBY-FUCXHRTASA-N 2 0 270.420 2.664 20 0 CFADRP Fc1ccc2c(c1)CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903902468 621469059 /nfs/dbraw/zinc/46/90/59/621469059.db2.gz HCCNNEYOLITWOW-MYFMFCSTSA-N 2 0 274.383 2.714 20 0 CFADRP Cc1cc(N)cc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903918869 621473099 /nfs/dbraw/zinc/47/30/99/621473099.db2.gz JQKTWQGGSJTURW-UHFFFAOYSA-N 2 0 281.403 2.513 20 0 CFADRP COc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C ZINC000903920397 621473128 /nfs/dbraw/zinc/47/31/28/621473128.db2.gz IWNIUZODBHUSAZ-MQVJKMGUSA-N 2 0 274.408 2.624 20 0 CFADRP [NH3+][C@H](CNCCOc1ccc2ccccc2c1)CC(F)F ZINC000903922770 621473603 /nfs/dbraw/zinc/47/36/03/621473603.db2.gz DOBVLMDEBMPAFK-AWEZNQCLSA-N 2 0 294.345 2.791 20 0 CFADRP C[C@@H]([NH2+]C[C@H](N)CC(F)F)C(C)(C)c1ccccc1 ZINC000903922898 621473859 /nfs/dbraw/zinc/47/38/59/621473859.db2.gz HBHSNYTVXIVPPN-DGCLKSJQSA-N 2 0 270.367 2.925 20 0 CFADRP Clc1cccc(OCC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903923138 621474140 /nfs/dbraw/zinc/47/41/40/621474140.db2.gz MLEFTCCNIOFKIS-LQDVMPOASA-N 2 0 294.826 2.839 20 0 CFADRP CCCC[C@H](CCC)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903923403 621474456 /nfs/dbraw/zinc/47/44/56/621474456.db2.gz SVAACYAQPAHDIW-LSDHHAIUSA-N 2 0 293.459 2.651 20 0 CFADRP CCCC[C@@H](CCC)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903923400 621474544 /nfs/dbraw/zinc/47/45/44/621474544.db2.gz SVAACYAQPAHDIW-CABCVRRESA-N 2 0 293.459 2.651 20 0 CFADRP Fc1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)c(F)c1 ZINC000903923542 621474554 /nfs/dbraw/zinc/47/45/54/621474554.db2.gz WOJUEDXSTONEOV-UHFFFAOYSA-N 2 0 288.341 2.900 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932670 621476495 /nfs/dbraw/zinc/47/64/95/621476495.db2.gz FEBHTTZGFOLKLS-RISCZKNCSA-N 2 0 268.351 2.945 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccncc1 ZINC000903934967 621477077 /nfs/dbraw/zinc/47/70/77/621477077.db2.gz KNUMDAHRTOMPLN-CQSZACIVSA-N 2 0 281.403 2.621 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000903937972 621478060 /nfs/dbraw/zinc/47/80/60/621478060.db2.gz WMDZWJXNTOEQBD-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957318 621478700 /nfs/dbraw/zinc/47/87/00/621478700.db2.gz PUDGMPBWPONZLO-AGIUHOORSA-N 2 0 260.372 2.647 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939787 621481416 /nfs/dbraw/zinc/48/14/16/621481416.db2.gz MMPFHZJLSKXJMD-LBPRGKRZSA-N 2 0 252.377 2.864 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000903946853 621484570 /nfs/dbraw/zinc/48/45/70/621484570.db2.gz DTZAMXLMFDVFAO-UHFFFAOYSA-N 2 0 284.407 2.576 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)CC[NH2+]1 ZINC000903948340 621485583 /nfs/dbraw/zinc/48/55/83/621485583.db2.gz OAGLZQUCEUYIIF-BQGCOEIASA-N 2 0 276.399 2.990 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956015 621490100 /nfs/dbraw/zinc/49/01/00/621490100.db2.gz FIEXUKCWKPWVKA-YPMHNXCESA-N 2 0 286.341 2.591 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000903974808 621492956 /nfs/dbraw/zinc/49/29/56/621492956.db2.gz SYFXTORASRRGKT-UKRRQHHQSA-N 2 0 288.435 2.735 20 0 CFADRP COc1cccc2cc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)oc21 ZINC000903977376 621493472 /nfs/dbraw/zinc/49/34/72/621493472.db2.gz PWXZYCARKBSBKX-TZMCWYRMSA-N 2 0 288.391 2.858 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)ccc2n1 ZINC000903978738 621493992 /nfs/dbraw/zinc/49/39/92/621493992.db2.gz WFINHELUISOHEW-CXAGYDPISA-N 2 0 283.419 2.960 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)C[C@H]1CC[NH3+] ZINC000903977913 621494051 /nfs/dbraw/zinc/49/40/51/621494051.db2.gz CZYPTGHSRKFODV-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903979061 621494144 /nfs/dbraw/zinc/49/41/44/621494144.db2.gz ULOJWZKGKFLGGO-BFYDXBDKSA-N 2 0 290.451 2.852 20 0 CFADRP COc1ccc(C2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903963511 621495357 /nfs/dbraw/zinc/49/53/57/621495357.db2.gz ABWXUWBLLSCHBZ-WBTBYHMDSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000903963981 621495619 /nfs/dbraw/zinc/49/56/19/621495619.db2.gz CCYDRRBLTLIPHN-RISCZKNCSA-N 2 0 289.810 2.833 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000903967965 621496218 /nfs/dbraw/zinc/49/62/18/621496218.db2.gz OAXHQTSSDHYLJO-PWSUYJOCSA-N 2 0 286.391 2.946 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000903967742 621496252 /nfs/dbraw/zinc/49/62/52/621496252.db2.gz MTDQASUJMJPKTQ-JWZBEHFJSA-N 2 0 276.399 2.907 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000903967744 621496384 /nfs/dbraw/zinc/49/63/84/621496384.db2.gz MTDQASUJMJPKTQ-QCPWZWHMSA-N 2 0 276.399 2.907 20 0 CFADRP CC(C)C[N@H+](Cc1ccccn1)C[C@]1(C)CC[NH2+]C1 ZINC000903987259 621499612 /nfs/dbraw/zinc/49/96/12/621499612.db2.gz BYDKGNSNXKHNKO-MRXNPFEDSA-N 2 0 261.413 2.539 20 0 CFADRP CC(C)(/C=C/Cl)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903988073 621499646 /nfs/dbraw/zinc/49/96/46/621499646.db2.gz NFKQZFIFOGQADE-BQYQJAHWSA-N 2 0 264.800 2.953 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000903988476 621500139 /nfs/dbraw/zinc/50/01/39/621500139.db2.gz SQPYDCSJIQISNB-ILXRZTDVSA-N 2 0 293.480 2.786 20 0 CFADRP C[N@H+](Cc1nc(-c2ccn3c[nH+]cc3c2)no1)CC(C)(C)C ZINC000904066740 621514724 /nfs/dbraw/zinc/51/47/24/621514724.db2.gz ZAURXCZVVVIXFZ-UHFFFAOYSA-N 2 0 299.378 2.862 20 0 CFADRP CC(C)[C@H]([NH3+])C(C)(C)c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904116946 621525930 /nfs/dbraw/zinc/52/59/30/621525930.db2.gz PZQLSPZNYFBBDL-ZDUSSCGKSA-N 2 0 299.378 2.645 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000904307244 621570087 /nfs/dbraw/zinc/57/00/87/621570087.db2.gz MSFDFECXXUENRS-CFVMTHIKSA-N 2 0 262.422 2.514 20 0 CFADRP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308622 621570310 /nfs/dbraw/zinc/57/03/10/621570310.db2.gz SSQDQCMUJFCDIG-TXEJJXNPSA-N 2 0 288.313 2.754 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904312369 621571206 /nfs/dbraw/zinc/57/12/06/621571206.db2.gz IQVQOGRWTPWLGF-SFHVURJKSA-N 2 0 290.451 2.949 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321865 621573989 /nfs/dbraw/zinc/57/39/89/621573989.db2.gz IXPZVPNLYFYWEO-HYVNUMGLSA-N 2 0 258.409 2.777 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CCC[NH2+]C2)n1 ZINC000904321723 621574198 /nfs/dbraw/zinc/57/41/98/621574198.db2.gz DINHIRMHAMMDQX-IRXDYDNUSA-N 2 0 273.424 2.917 20 0 CFADRP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[C@H](OCC)C1(C)C ZINC000904322723 621574329 /nfs/dbraw/zinc/57/43/29/621574329.db2.gz ILMNXTPLVSYUKQ-XGUBFFRZSA-N 2 0 268.445 2.639 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000904323138 621574788 /nfs/dbraw/zinc/57/47/88/621574788.db2.gz NFCJWIFOWZUPON-IIAWOOMASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325177 621575400 /nfs/dbraw/zinc/57/54/00/621575400.db2.gz RXASNVSVOGQADX-HZPDHXFCSA-N 2 0 283.504 2.804 20 0 CFADRP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000904333307 621577514 /nfs/dbraw/zinc/57/75/14/621577514.db2.gz WWUDZDXDGYRBCR-INMHGKMJSA-N 2 0 258.409 2.830 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904333458 621577545 /nfs/dbraw/zinc/57/75/45/621577545.db2.gz ZJVBNASEQSCWGK-CALCHBBNSA-N 3 0 281.488 2.558 20 0 CFADRP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904340345 621577883 /nfs/dbraw/zinc/57/78/83/621577883.db2.gz HMZZEAKBCCQBCJ-YOKBYHGQSA-N 2 0 274.408 2.815 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000904346608 621579514 /nfs/dbraw/zinc/57/95/14/621579514.db2.gz WEMQLRAKKWHDBV-BJHJDKERSA-N 2 0 280.362 2.882 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)Cc1ccsc1 ZINC000904347795 621580271 /nfs/dbraw/zinc/58/02/71/621580271.db2.gz KKMRIQSMCGLQDW-BNOWGMLFSA-N 2 0 252.427 2.738 20 0 CFADRP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)c2cc(F)ccc2C[NH2+]1 ZINC000904352802 621581304 /nfs/dbraw/zinc/58/13/04/621581304.db2.gz BHGUJLYSAHAWKK-ZDUSSCGKSA-N 2 0 299.393 2.783 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000904361227 621582814 /nfs/dbraw/zinc/58/28/14/621582814.db2.gz YPHROFFKEJMIET-KRWDZBQOSA-N 2 0 260.425 2.825 20 0 CFADRP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC(C[NH3+])C1 ZINC000904362374 621583738 /nfs/dbraw/zinc/58/37/38/621583738.db2.gz LMVMCOXIGAYROS-HSBZDZAISA-N 2 0 294.464 2.750 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904374956 621584719 /nfs/dbraw/zinc/58/47/19/621584719.db2.gz ZBLJZYKHMXHNCM-BYNSBNAKSA-N 2 0 250.430 2.872 20 0 CFADRP C[C@@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)Cc1cccs1 ZINC000904363694 621585403 /nfs/dbraw/zinc/58/54/03/621585403.db2.gz BIKZFQAQDDIVFC-UKRRQHHQSA-N 2 0 266.454 2.906 20 0 CFADRP [NH3+]CC1CC([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000904364510 621585548 /nfs/dbraw/zinc/58/55/48/621585548.db2.gz MHMNIAHSKWXMIK-RPFQZYLTSA-N 2 0 250.773 2.654 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000904392299 621586452 /nfs/dbraw/zinc/58/64/52/621586452.db2.gz OZLPGIQOTGLTJB-PFWMLDTASA-N 2 0 286.419 2.530 20 0 CFADRP Cc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1Br ZINC000904375689 621586966 /nfs/dbraw/zinc/58/69/66/621586966.db2.gz FVZCOZNJUQZOQZ-UHFFFAOYSA-N 2 0 297.240 2.976 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000904376737 621587236 /nfs/dbraw/zinc/58/72/36/621587236.db2.gz DEMRYKOEOFSDRP-HOCLYGCPSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@]1(C[NH2+]CC[C@H]2CCc3ccccc3N2)CCC[NH2+]C1 ZINC000904375702 621587246 /nfs/dbraw/zinc/58/72/46/621587246.db2.gz GHTIJSCMEDPNON-AEFFLSMTSA-N 2 0 287.451 2.783 20 0 CFADRP C[C@]1(C[NH2+]CC[C@@H]2CCc3ccccc3N2)CCC[NH2+]C1 ZINC000904375705 621587266 /nfs/dbraw/zinc/58/72/66/621587266.db2.gz GHTIJSCMEDPNON-WMZOPIPTSA-N 2 0 287.451 2.783 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000904380100 621587606 /nfs/dbraw/zinc/58/76/06/621587606.db2.gz HPNJYXYKGOUZPC-FPMFFAJLSA-N 2 0 280.362 2.882 20 0 CFADRP C[NH+]1CCC2(CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC2)CC1 ZINC000904383920 621588208 /nfs/dbraw/zinc/58/82/08/621588208.db2.gz DAIWGUVZKAXKOU-INIZCTEOSA-N 2 0 295.515 2.948 20 0 CFADRP CCC1([NH+](C)C)CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904384747 621589028 /nfs/dbraw/zinc/58/90/28/621589028.db2.gz NBLKEARJFCSCPO-OAHLLOKOSA-N 2 0 283.504 2.946 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000904405841 621590224 /nfs/dbraw/zinc/59/02/24/621590224.db2.gz QDUNYWVLYFVSEH-UONOGXRCSA-N 2 0 294.414 2.684 20 0 CFADRP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904405610 621590337 /nfs/dbraw/zinc/59/03/37/621590337.db2.gz KWPZENGXZYIAOB-LLVKDONJSA-N 2 0 267.442 2.611 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904409680 621590964 /nfs/dbraw/zinc/59/09/64/621590964.db2.gz GEMAQMIARVRHQV-CQSZACIVSA-N 2 0 284.407 2.556 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411473 621592541 /nfs/dbraw/zinc/59/25/41/621592541.db2.gz KSTHBRIBLGIBTG-OLZOCXBDSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904412131 621593031 /nfs/dbraw/zinc/59/30/31/621593031.db2.gz QKMNBMDLESGPRY-MWLCHTKSSA-N 2 0 272.314 2.521 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412647 621593044 /nfs/dbraw/zinc/59/30/44/621593044.db2.gz VQNOEVHXHQCJGB-STQMWFEESA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000904412130 621593440 /nfs/dbraw/zinc/59/34/40/621593440.db2.gz QKMNBMDLESGPRY-KOLCDFICSA-N 2 0 272.314 2.521 20 0 CFADRP C([C@H]1CCSC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416994 621593876 /nfs/dbraw/zinc/59/38/76/621593876.db2.gz WHMXCNSHOKWMDJ-HUUCEWRRSA-N 2 0 282.497 2.841 20 0 CFADRP C([C@H]1CCSC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416992 621594056 /nfs/dbraw/zinc/59/40/56/621594056.db2.gz WHMXCNSHOKWMDJ-CABCVRRESA-N 2 0 282.497 2.841 20 0 CFADRP C([C@@H]1CCCOC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416455 621594205 /nfs/dbraw/zinc/59/42/05/621594205.db2.gz MZGVZHZEKURUIH-JKSUJKDBSA-N 2 0 280.456 2.515 20 0 CFADRP c1nc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)sc1-c1ccccc1 ZINC000904420769 621596159 /nfs/dbraw/zinc/59/61/59/621596159.db2.gz WRBQQZFLYFHBPL-LSDHHAIUSA-N 2 0 299.443 2.851 20 0 CFADRP C[C@@H](C[NH2+]CC1([NH3+])CC1)c1cccc(Br)c1 ZINC000904449099 621599457 /nfs/dbraw/zinc/59/94/57/621599457.db2.gz GNTDRURODJUEDV-JTQLQIEISA-N 2 0 283.213 2.634 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]C1CC(C[NH3+])C1)C(C)(C)C ZINC000904470507 621601189 /nfs/dbraw/zinc/60/11/89/621601189.db2.gz YPVMEXNGZOGZKK-PIMMBPRGSA-N 2 0 261.413 2.804 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000904469865 621601327 /nfs/dbraw/zinc/60/13/27/621601327.db2.gz PWBUEVQVZWSODB-IXDOHACOSA-N 2 0 287.451 2.585 20 0 CFADRP Cc1c(Cl)cccc1N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904476353 621601743 /nfs/dbraw/zinc/60/17/43/621601743.db2.gz QSHYGFAZZRMRCG-OKILXGFUSA-N 2 0 293.842 2.508 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCON=C(N)Cc1cccs1 ZINC000906498498 621993462 /nfs/dbraw/zinc/99/34/62/621993462.db2.gz CCEWRVYYAJVPTK-LBPRGKRZSA-N 2 0 281.425 2.663 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000906510036 621995141 /nfs/dbraw/zinc/99/51/41/621995141.db2.gz LJVFXAWDMPPTLQ-UHFFFAOYSA-N 2 0 289.604 2.682 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924842896 622582641 /nfs/dbraw/zinc/58/26/41/622582641.db2.gz ITVGDQFDDBLFRU-JJRVBVJISA-N 2 0 260.425 2.948 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000924846179 622720881 /nfs/dbraw/zinc/72/08/81/622720881.db2.gz LNHHOLBLQWGDKJ-OAHLLOKOSA-N 2 0 275.440 2.867 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000820806794 622760911 /nfs/dbraw/zinc/76/09/11/622760911.db2.gz RBJCBPXWQCTSMW-CJNGLKHVSA-N 2 0 288.391 2.725 20 0 CFADRP c1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820805684 622761178 /nfs/dbraw/zinc/76/11/78/622761178.db2.gz PLTHNCWQIOXSRX-QXMXGUDHSA-N 2 0 262.422 2.996 20 0 CFADRP C[C@H](CCCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812944 622764670 /nfs/dbraw/zinc/76/46/70/622764670.db2.gz VUPLRGZXUFSALI-ZIAGYGMSSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000820824408 622767730 /nfs/dbraw/zinc/76/77/30/622767730.db2.gz SHHZPRYAECOQPW-CXAGYDPISA-N 2 0 298.434 2.679 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000151033535 622821191 /nfs/dbraw/zinc/82/11/91/622821191.db2.gz HRNVDRQOJZKKGY-UHFFFAOYSA-N 2 0 276.424 2.647 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000226349758 623068364 /nfs/dbraw/zinc/06/83/64/623068364.db2.gz SLWWNMZVWUCAAL-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP CCc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228536566 623148434 /nfs/dbraw/zinc/14/84/34/623148434.db2.gz ZSFLTIQZGPOYBE-GVDBMIGSSA-N 2 0 258.409 2.808 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000822691406 623153080 /nfs/dbraw/zinc/15/30/80/623153080.db2.gz JBPQAKFDLJWJFH-JHJVBQTASA-N 2 0 291.266 2.986 20 0 CFADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000062071575 623246768 /nfs/dbraw/zinc/24/67/68/623246768.db2.gz DZYYZCKMXNZLGL-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP C[N@H+](CCCCCCCO)CC[C@H]1CCCC[NH+]1C ZINC000173961172 623376502 /nfs/dbraw/zinc/37/65/02/623376502.db2.gz VHLXWAXVEXNSLG-MRXNPFEDSA-N 2 0 270.461 2.735 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNCc2ccnc(Cl)c2F)C1 ZINC000823697120 623379629 /nfs/dbraw/zinc/37/96/29/623379629.db2.gz FSOMGTXSPLMMTI-NSHDSACASA-N 2 0 285.794 2.696 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929700184 623516797 /nfs/dbraw/zinc/51/67/97/623516797.db2.gz XINGJTMHUBFRLV-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2cccnc2)C1 ZINC000929762853 623613369 /nfs/dbraw/zinc/61/33/69/623613369.db2.gz JVGFHEOYIQZSRG-GOSISDBHSA-N 2 0 287.451 2.678 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000826868311 623898953 /nfs/dbraw/zinc/89/89/53/623898953.db2.gz QHPWGZAUCFYIHU-MRXNPFEDSA-N 2 0 275.440 2.785 20 0 CFADRP CCCC[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000032105873 623907905 /nfs/dbraw/zinc/90/79/05/623907905.db2.gz RJFCIBCRKJWVRG-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000929842412 623917740 /nfs/dbraw/zinc/91/77/40/623917740.db2.gz CUVMUKHFFLKCEB-DLBZAZTESA-N 2 0 288.435 2.920 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250258168 623925154 /nfs/dbraw/zinc/92/51/54/623925154.db2.gz ROLNCZADCLAMBQ-BRWVUGGUSA-N 2 0 276.399 2.879 20 0 CFADRP CCCC[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000915680929 624095784 /nfs/dbraw/zinc/09/57/84/624095784.db2.gz RPVKPWIOYSGODB-UHFFFAOYSA-N 2 0 289.467 2.714 20 0 CFADRP C[N@H+](C[C@H](O)CN1CCCC1)C1CCC(C(C)(C)C)CC1 ZINC000917010403 624299471 /nfs/dbraw/zinc/29/94/71/624299471.db2.gz MDXKLVZSQWWPTH-JCYILVPMSA-N 2 0 296.499 2.980 20 0 CFADRP CCC(CC)(C[NH2+]CC1CC[NH+](C)CC1)SC ZINC000232870983 624311268 /nfs/dbraw/zinc/31/12/68/624311268.db2.gz NVPHNQZBEGVLBM-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1OC ZINC000925471279 624609996 /nfs/dbraw/zinc/60/99/96/624609996.db2.gz BOHIPDUEOVXAPD-KBPBESRZSA-N 2 0 292.423 2.699 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000830170667 624654085 /nfs/dbraw/zinc/65/40/85/624654085.db2.gz NOLIYRPPQMJDDJ-YESZJQIVSA-N 2 0 294.483 2.591 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000925477636 624676492 /nfs/dbraw/zinc/67/64/92/624676492.db2.gz CJTSRLPJYWGILI-QAPCUYQASA-N 2 0 289.467 2.929 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1F ZINC000070171504 625279113 /nfs/dbraw/zinc/27/91/13/625279113.db2.gz DRQBFPHPJYDXRD-TZMCWYRMSA-N 2 0 250.361 2.693 20 0 CFADRP c1cn2c(n1)[C@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000834615667 625735770 /nfs/dbraw/zinc/73/57/70/625735770.db2.gz HBDKSQZWDROCFQ-UYSNPLJNSA-N 2 0 288.439 2.715 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921504410 625787574 /nfs/dbraw/zinc/78/75/74/625787574.db2.gz YOLABNMQZHDDPG-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000817942210 625963195 /nfs/dbraw/zinc/96/31/95/625963195.db2.gz YNVKASLGRKDKQZ-ZDUSSCGKSA-N 2 0 250.386 2.572 20 0 CFADRP COc1c(C)cc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1Cl ZINC000817964928 625966423 /nfs/dbraw/zinc/96/64/23/625966423.db2.gz JORCMNDHXOQOAS-JTQLQIEISA-N 2 0 268.788 2.527 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000921527422 625978134 /nfs/dbraw/zinc/97/81/34/625978134.db2.gz NBIGSVDKQIWCLO-DZGCQCFKSA-N 2 0 286.419 2.584 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921532491 625979526 /nfs/dbraw/zinc/97/95/26/625979526.db2.gz GTPPFRHPLFNLHF-AWEZNQCLSA-N 2 0 277.412 2.531 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000921551234 625985093 /nfs/dbraw/zinc/98/50/93/625985093.db2.gz BKDPDXQBFHZQGY-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000921561351 625989289 /nfs/dbraw/zinc/98/92/89/625989289.db2.gz DDPDVKSSYHWZFG-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000921617293 625994070 /nfs/dbraw/zinc/99/40/70/625994070.db2.gz CMPYLGLVZJWFOP-GOEBONIOSA-N 2 0 288.435 2.830 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000921620829 625998462 /nfs/dbraw/zinc/99/84/62/625998462.db2.gz VECCBRQPRSEWLI-HNNXBMFYSA-N 2 0 276.424 2.824 20 0 CFADRP CC[N@@H+]1CCC[C@H](CNCc2cc(C)cnc2Cl)C1 ZINC000921624617 626001729 /nfs/dbraw/zinc/00/17/29/626001729.db2.gz KYMBSTBCTXVDBH-CYBMUJFWSA-N 2 0 281.831 2.865 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921686700 626080494 /nfs/dbraw/zinc/08/04/94/626080494.db2.gz OMAUVVXESWNLRR-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP O=c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cc[nH]1 ZINC000921735875 626101165 /nfs/dbraw/zinc/10/11/65/626101165.db2.gz AJJZTXHFRZHFMY-UHFFFAOYSA-N 2 0 277.412 2.533 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC[N@@H+]2C1 ZINC000773137047 626101769 /nfs/dbraw/zinc/10/17/69/626101769.db2.gz OSQOTBZCSSWFEB-ZSAUSMIDSA-N 2 0 298.521 2.582 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2c(Cl)c(C)nn2C)CC1 ZINC000921784884 626122159 /nfs/dbraw/zinc/12/21/59/626122159.db2.gz VNMOYWNETCREBE-UHFFFAOYSA-N 2 0 298.862 2.594 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000922053656 626201813 /nfs/dbraw/zinc/20/18/13/626201813.db2.gz VCHJGYXYLGTWJC-IXDOHACOSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C[NH+]1CCCC1 ZINC000922053655 626201927 /nfs/dbraw/zinc/20/19/27/626201927.db2.gz VCHJGYXYLGTWJC-GVDBMIGSSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C1CC1 ZINC000922172085 626230660 /nfs/dbraw/zinc/23/06/60/626230660.db2.gz QADAMHBRVSRMFS-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)ccc12 ZINC000922178657 626231920 /nfs/dbraw/zinc/23/19/20/626231920.db2.gz QNFOVFCSUGLSEZ-ARFHVFGLSA-N 2 0 285.391 2.629 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000922181541 626232869 /nfs/dbraw/zinc/23/28/69/626232869.db2.gz UFFYWWQHTYTFBW-NSHDSACASA-N 2 0 296.846 2.762 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000922214749 626242228 /nfs/dbraw/zinc/24/22/28/626242228.db2.gz SMFLISWBNCQKFV-JUVOFCAFSA-N 2 0 280.456 2.654 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000922285164 626259256 /nfs/dbraw/zinc/25/92/56/626259256.db2.gz WPROEULVGYSSKO-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000922317463 626269241 /nfs/dbraw/zinc/26/92/41/626269241.db2.gz FTPRUCXULSMIFP-UHFFFAOYSA-N 2 0 290.455 2.961 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1 ZINC000851727484 634492487 /nfs/dbraw/zinc/49/24/87/634492487.db2.gz OXNCLRLYZTVQMT-JKSUJKDBSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922844244 626378622 /nfs/dbraw/zinc/37/86/22/626378622.db2.gz ADPAYXURUKCUSU-YHNBSYBMSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C12CCC2 ZINC000922845154 626380606 /nfs/dbraw/zinc/38/06/06/626380606.db2.gz CDINMSZKCCGIQS-JCCCHCCOSA-N 2 0 292.467 2.941 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086403346 626391251 /nfs/dbraw/zinc/39/12/51/626391251.db2.gz QFXKYMVEUUZDPG-DTWKUNHWSA-N 2 0 289.242 2.870 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1(C)C ZINC000922968689 626436217 /nfs/dbraw/zinc/43/62/17/626436217.db2.gz WEIYWRGHSXJFMP-HUUCEWRRSA-N 2 0 280.456 2.941 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000925487501 634502853 /nfs/dbraw/zinc/50/28/53/634502853.db2.gz CWZSTDRGYSPQIL-UONOGXRCSA-N 2 0 250.361 2.821 20 0 CFADRP C[NH2+]CC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000923288881 626463058 /nfs/dbraw/zinc/46/30/58/626463058.db2.gz DRZSRDSHHQWMRG-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)c1ccc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923298761 626464036 /nfs/dbraw/zinc/46/40/36/626464036.db2.gz YUNGDBXFUOJLLT-QGZVFWFLSA-N 2 0 288.435 2.620 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC[NH2+]C1CC1 ZINC000923302646 626464487 /nfs/dbraw/zinc/46/44/87/626464487.db2.gz ZBQMIDPQZWUNON-LBPRGKRZSA-N 2 0 250.361 2.961 20 0 CFADRP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304708 626464846 /nfs/dbraw/zinc/46/48/46/626464846.db2.gz RYMSXHOWVSYAKP-DOTOQJQBSA-N 2 0 286.419 2.510 20 0 CFADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923312408 626464917 /nfs/dbraw/zinc/46/49/17/626464917.db2.gz KTBQTAPKEPEFFP-QZTJIDSGSA-N 2 0 288.435 2.717 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329465 626466072 /nfs/dbraw/zinc/46/60/72/626466072.db2.gz JWKPRPGLHMGBBZ-ULQDDVLXSA-N 2 0 282.472 2.782 20 0 CFADRP CC1CC[NH+](C[C@H]2CCCN(CCC[NH2+]C3CC3)C2)CC1 ZINC000923322607 626466537 /nfs/dbraw/zinc/46/65/37/626466537.db2.gz QFXNNVKKLDHFEX-KRWDZBQOSA-N 2 0 293.499 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000923325431 626466757 /nfs/dbraw/zinc/46/67/57/626466757.db2.gz UKYRQAFNXDTMIU-XWDNEUNKSA-N 3 0 293.499 2.569 20 0 CFADRP CCCCCC[C@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923334930 626467085 /nfs/dbraw/zinc/46/70/85/626467085.db2.gz HKTLPJVRDBNEOQ-CVEARBPZSA-N 2 0 270.461 2.782 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358877 626468376 /nfs/dbraw/zinc/46/83/76/626468376.db2.gz MDGBPKIMEWRBKG-GJZGRUSLSA-N 2 0 291.439 2.757 20 0 CFADRP CCCCCC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923364811 626468882 /nfs/dbraw/zinc/46/88/82/626468882.db2.gz OYOYVLYJVPHKLI-SJORKVTESA-N 2 0 282.472 2.782 20 0 CFADRP c1ccc(C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)nc1 ZINC000923373045 626469383 /nfs/dbraw/zinc/46/93/83/626469383.db2.gz KTLGEKRYSBLSFF-MQVJKMGUSA-N 2 0 285.435 2.967 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCc1cccc(F)c1)CC[NH2+]CC2 ZINC000923382751 626469473 /nfs/dbraw/zinc/46/94/73/626469473.db2.gz FMVUDLRSVGYMLL-AWEZNQCLSA-N 2 0 276.399 2.832 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923382962 626469851 /nfs/dbraw/zinc/46/98/51/626469851.db2.gz FPZANJQHXGNLCH-CVEARBPZSA-N 2 0 282.472 2.782 20 0 CFADRP [NH3+][C@@H]1CCc2ccccc2N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923392162 626470240 /nfs/dbraw/zinc/47/02/40/626470240.db2.gz QQNSURBDZBYULL-QDZFIJTISA-N 2 0 299.462 2.687 20 0 CFADRP CCCCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923395453 626470552 /nfs/dbraw/zinc/47/05/52/626470552.db2.gz MUPYVOOGVYPNMT-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1cccc([C@@H]([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)C(C)C)c1 ZINC000923404298 626471004 /nfs/dbraw/zinc/47/10/04/626471004.db2.gz YQIIIPVHJDVDBT-IRXDYDNUSA-N 2 0 288.435 2.660 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000923416484 626471017 /nfs/dbraw/zinc/47/10/17/626471017.db2.gz XFXQEDKYLJXDTL-RDJZCZTQSA-N 2 0 282.472 2.625 20 0 CFADRP CC(C)c1cc([C@@H]2CCCN(CCC[NH2+]C3CC3)C2)n[nH]1 ZINC000923421977 626471623 /nfs/dbraw/zinc/47/16/23/626471623.db2.gz UBFXCMINIHGLRV-CQSZACIVSA-N 2 0 290.455 2.855 20 0 CFADRP c1csc(C[C@@H]2CCCN(CCC[NH2+]C3CC3)C2)n1 ZINC000923433061 626472701 /nfs/dbraw/zinc/47/27/01/626472701.db2.gz VOOIIJSTZRPCGT-ZDUSSCGKSA-N 2 0 279.453 2.540 20 0 CFADRP CC(C)CCc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000923482037 626476295 /nfs/dbraw/zinc/47/62/95/626476295.db2.gz BUBZQAVRBLGGFM-ZDUSSCGKSA-N 2 0 281.469 2.902 20 0 CFADRP CCCCc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000923483770 626476345 /nfs/dbraw/zinc/47/63/45/626476345.db2.gz RGYKBYBJYKYSSV-LBPRGKRZSA-N 2 0 267.442 2.656 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496030 626476567 /nfs/dbraw/zinc/47/65/67/626476567.db2.gz YXVHDJSNJGLXGX-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)co2)CC[C@@H]1C[NH3+] ZINC000923492710 626476728 /nfs/dbraw/zinc/47/67/28/626476728.db2.gz ZAJXRKLHAIAXEE-NXEZZACHSA-N 2 0 276.302 2.715 20 0 CFADRP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923494940 626476862 /nfs/dbraw/zinc/47/68/62/626476862.db2.gz QTTPTZBJRVLRJA-STQMWFEESA-N 2 0 282.428 2.835 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923502625 626476905 /nfs/dbraw/zinc/47/69/05/626476905.db2.gz XUOOEFFRDGZLGA-YPMHNXCESA-N 2 0 297.240 2.866 20 0 CFADRP C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923499098 626477047 /nfs/dbraw/zinc/47/70/47/626477047.db2.gz JQYLLVFHTNBXFD-KBPBESRZSA-N 2 0 280.387 2.511 20 0 CFADRP C[C@H]1C[N@H+](Cc2coc(-c3cccs3)n2)CC[C@H]1C[NH3+] ZINC000923497829 626477169 /nfs/dbraw/zinc/47/71/69/626477169.db2.gz MNDMAWPGWVGBPQ-RYUDHWBXSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923497096 626477240 /nfs/dbraw/zinc/47/72/40/626477240.db2.gz DQSWUSVNLYKEAL-UKPHBRMFSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H]1C[NH3+] ZINC000923500007 626477339 /nfs/dbraw/zinc/47/73/39/626477339.db2.gz UBKQPGNHDUMLLU-GHMZBOCLSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@H]1C[NH3+] ZINC000923500684 626477412 /nfs/dbraw/zinc/47/74/12/626477412.db2.gz WVOKECMFBJZFRU-JQWIXIFHSA-N 2 0 270.779 2.896 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500261 626477468 /nfs/dbraw/zinc/47/74/68/626477468.db2.gz NCXIFLLVBQBHRO-GXTWGEPZSA-N 2 0 299.418 2.576 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923505117 626477706 /nfs/dbraw/zinc/47/77/06/626477706.db2.gz YPOSUPZBFOECRZ-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507094 626477867 /nfs/dbraw/zinc/47/78/67/626477867.db2.gz MPOORNUYYULNMI-MRXNPFEDSA-N 3 0 281.488 2.607 20 0 CFADRP Cc1cnccc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506574 626477944 /nfs/dbraw/zinc/47/79/44/626477944.db2.gz KVRSJIANYXICAH-MRXNPFEDSA-N 2 0 287.451 2.992 20 0 CFADRP c1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923508959 626478029 /nfs/dbraw/zinc/47/80/29/626478029.db2.gz XXCQYBRNAJOQRC-INIZCTEOSA-N 2 0 273.424 2.683 20 0 CFADRP CC[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514721 626478252 /nfs/dbraw/zinc/47/82/52/626478252.db2.gz QHRMPURCHQCLHB-HFAKWTLXSA-N 2 0 268.351 2.943 20 0 CFADRP c1ccc2cc(OCC[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc2c1 ZINC000923517856 626478317 /nfs/dbraw/zinc/47/83/17/626478317.db2.gz HZYXROCSVVQGGW-ZWKOTPCHSA-N 2 0 296.414 2.760 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000923526914 626478561 /nfs/dbraw/zinc/47/85/61/626478561.db2.gz VUUSNIMIOLMJBV-UHFFFAOYSA-N 2 0 296.377 2.532 20 0 CFADRP C(=C\[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1)\c1ccccc1 ZINC000923526986 626478637 /nfs/dbraw/zinc/47/86/37/626478637.db2.gz XIJPHERNHOBMSQ-ICUWKNINSA-N 2 0 298.430 2.543 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522354 626478684 /nfs/dbraw/zinc/47/86/84/626478684.db2.gz UPDGCEWXHQVKDH-KWCYVHTRSA-N 2 0 264.800 2.942 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000923550955 626479582 /nfs/dbraw/zinc/47/95/82/626479582.db2.gz HSYSZZXJRRLSEQ-OAHLLOKOSA-N 2 0 293.480 2.706 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000838789865 626506854 /nfs/dbraw/zinc/50/68/54/626506854.db2.gz CPIGGLZTJGSNRJ-UHFFFAOYSA-N 2 0 298.471 2.770 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000103340441 626529690 /nfs/dbraw/zinc/52/96/90/626529690.db2.gz RHEULGWEEYTSNZ-CYBMUJFWSA-N 2 0 279.428 2.696 20 0 CFADRP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000851778051 634524002 /nfs/dbraw/zinc/52/40/02/634524002.db2.gz DRNHWMFBSRRXEC-BZUAXINKSA-N 2 0 266.429 2.504 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC12CCCCC2 ZINC000765087430 627118200 /nfs/dbraw/zinc/11/82/00/627118200.db2.gz LXJZUDDECNPOKD-SJORKVTESA-N 2 0 294.483 2.735 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000765252052 627126372 /nfs/dbraw/zinc/12/63/72/627126372.db2.gz PURYIMHBACJDDW-CABCVRRESA-N 2 0 281.444 2.949 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765254488 627126396 /nfs/dbraw/zinc/12/63/96/627126396.db2.gz MZCRHURVUKYORC-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000765332313 627131303 /nfs/dbraw/zinc/13/13/03/627131303.db2.gz IROGXMLWRCDNKQ-HUUCEWRRSA-N 2 0 288.435 2.558 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2COc3ccc(Cl)cc32)CC1 ZINC000765782989 627157826 /nfs/dbraw/zinc/15/78/26/627157826.db2.gz IRWINOGFYZMEQM-AWEZNQCLSA-N 2 0 280.799 2.705 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1Cl ZINC000765786020 627157927 /nfs/dbraw/zinc/15/79/27/627157927.db2.gz YMLHHOPTXSYWPW-LLVKDONJSA-N 2 0 267.804 2.727 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000765875313 627162146 /nfs/dbraw/zinc/16/21/46/627162146.db2.gz IODQSXYHMRWWLZ-YOEHRIQHSA-N 2 0 258.409 2.914 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766512399 627206766 /nfs/dbraw/zinc/20/67/66/627206766.db2.gz KITXZEULUWNHAK-QRNKSROTSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000768237345 627327975 /nfs/dbraw/zinc/32/79/75/627327975.db2.gz PFQYHHODIVGERX-UHFFFAOYSA-N 2 0 264.413 2.857 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000769485912 627446738 /nfs/dbraw/zinc/44/67/38/627446738.db2.gz PWLIYYCGGXRZOL-KBXCAEBGSA-N 2 0 288.435 2.879 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771175575 627582143 /nfs/dbraw/zinc/58/21/43/627582143.db2.gz FFRVUAZVUGMAAG-CYBMUJFWSA-N 2 0 279.815 2.654 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851919033 634588162 /nfs/dbraw/zinc/58/81/62/634588162.db2.gz FUTRXYYAEGNOOY-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@@H](NCc1cccc(F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926242 634593147 /nfs/dbraw/zinc/59/31/47/634593147.db2.gz MGGOZNOQPAMLLK-KGLIPLIRSA-N 2 0 291.414 2.963 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000772950630 627761094 /nfs/dbraw/zinc/76/10/94/627761094.db2.gz KJHMBYWDOOEKKY-JKSUJKDBSA-N 2 0 276.424 2.836 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSC(C)(C)C)[C@@H](C)C1 ZINC000772951661 627761158 /nfs/dbraw/zinc/76/11/58/627761158.db2.gz VEGWGTQUWWANBB-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000775400968 628020767 /nfs/dbraw/zinc/02/07/67/628020767.db2.gz LWPIEXXVNHXTKP-MAUKXSAKSA-N 2 0 290.451 2.963 20 0 CFADRP C[C@@H](COc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000775402736 628021586 /nfs/dbraw/zinc/02/15/86/628021586.db2.gz CFOUXHYGJZPLCE-HNNXBMFYSA-N 2 0 288.435 2.918 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000779341681 628375346 /nfs/dbraw/zinc/37/53/46/628375346.db2.gz JZXHAEKVUIKCBS-OAHLLOKOSA-N 2 0 276.424 2.533 20 0 CFADRP C[C@H](CCO)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000779419609 628380226 /nfs/dbraw/zinc/38/02/26/628380226.db2.gz WKCDVFHTZNQDCO-SOLBZPMBSA-N 2 0 290.451 2.648 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCc3ccccc32)C1 ZINC000780294043 628451664 /nfs/dbraw/zinc/45/16/64/628451664.db2.gz MHHIXXGKXHNNMQ-DOTOQJQBSA-N 2 0 272.436 2.990 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000782188843 628612295 /nfs/dbraw/zinc/61/22/95/628612295.db2.gz QNCXZNIRRUZXLH-HNNXBMFYSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000783222036 628687897 /nfs/dbraw/zinc/68/78/97/628687897.db2.gz FOBBIICCGHPFFA-DAYGRLMNSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000783224247 628688468 /nfs/dbraw/zinc/68/84/68/628688468.db2.gz PKGORAHDWQJBOI-CZUORRHYSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000783224245 628688738 /nfs/dbraw/zinc/68/87/38/628688738.db2.gz PKGORAHDWQJBOI-CJNGLKHVSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000783240170 628691721 /nfs/dbraw/zinc/69/17/21/628691721.db2.gz OKSRLENNDOOWNC-KBXCAEBGSA-N 2 0 288.435 2.531 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000783652291 628731369 /nfs/dbraw/zinc/73/13/69/628731369.db2.gz RRRZPGYXUSANTO-CVEARBPZSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+]1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000788469446 629071852 /nfs/dbraw/zinc/07/18/52/629071852.db2.gz KMXKRIIDNCYEAQ-UHFFFAOYSA-N 2 0 258.409 2.993 20 0 CFADRP CC[N@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000788479118 629073250 /nfs/dbraw/zinc/07/32/50/629073250.db2.gz OKAWONSVPJGNSI-UHFFFAOYSA-N 2 0 260.425 2.893 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](c2ccccc2)CO1 ZINC000788482635 629074192 /nfs/dbraw/zinc/07/41/92/629074192.db2.gz ODMPSOICROGQPK-YJBOKZPZSA-N 2 0 288.435 2.790 20 0 CFADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000790749615 629259683 /nfs/dbraw/zinc/25/96/83/629259683.db2.gz ZHBOHEGKAKKTJD-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793521685 629560237 /nfs/dbraw/zinc/56/02/37/629560237.db2.gz XEGDVYGVPFHZFK-HIFRSBDPSA-N 2 0 280.460 2.890 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C)nn2C)CC1 ZINC000793531641 629563419 /nfs/dbraw/zinc/56/34/19/629563419.db2.gz DRCGHXRESRSUPP-AWEZNQCLSA-N 2 0 278.444 2.501 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000794531433 629656078 /nfs/dbraw/zinc/65/60/78/629656078.db2.gz LSXGAFUAKRJQFJ-HNNXBMFYSA-N 2 0 288.439 2.654 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000796775243 629963869 /nfs/dbraw/zinc/96/38/69/629963869.db2.gz JRAPMZLIUGANMJ-NJVJYBDUSA-N 2 0 268.470 2.733 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000796812129 629970687 /nfs/dbraw/zinc/97/06/87/629970687.db2.gz QSHFFKNQYQHFBA-HZSPNIEDSA-N 2 0 270.486 2.981 20 0 CFADRP COCc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000798956526 630263943 /nfs/dbraw/zinc/26/39/43/630263943.db2.gz BTJBOMQDURTCFS-UHFFFAOYSA-N 2 0 292.423 2.734 20 0 CFADRP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177290 630284190 /nfs/dbraw/zinc/28/41/90/630284190.db2.gz PDUNGKLZWOESFO-AWEZNQCLSA-N 2 0 296.455 2.524 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000800494825 630392566 /nfs/dbraw/zinc/39/25/66/630392566.db2.gz IQXHGWLZYCTPTR-GFCCVEGCSA-N 2 0 281.831 2.863 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)C1CC[NH+](C)CC1 ZINC000800987114 630420454 /nfs/dbraw/zinc/42/04/54/630420454.db2.gz PTNWIKIDMPXAGX-YOEHRIQHSA-N 2 0 288.435 2.700 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCSC(C)(C)C)C1 ZINC000801923702 630488576 /nfs/dbraw/zinc/48/85/76/630488576.db2.gz BOYJBWDPYLJEJN-CYBMUJFWSA-N 2 0 258.475 2.792 20 0 CFADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC000852746604 634821057 /nfs/dbraw/zinc/82/10/57/634821057.db2.gz LYSMXOICDMTEKQ-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC000852753880 634825752 /nfs/dbraw/zinc/82/57/52/634825752.db2.gz UUJQDFRGTOWQDZ-GRYCIOLGSA-N 2 0 293.238 2.666 20 0 CFADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCCCCC[NH3+])cn1 ZINC000852759205 634826609 /nfs/dbraw/zinc/82/66/09/634826609.db2.gz LDJKEWGQGAIFOM-SJORKVTESA-N 2 0 292.471 2.630 20 0 CFADRP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000806132160 630769934 /nfs/dbraw/zinc/76/99/34/630769934.db2.gz ROHHXFAYRDCHFG-BXUZGUMPSA-N 2 0 291.826 2.796 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806137574 630771456 /nfs/dbraw/zinc/77/14/56/630771456.db2.gz LINUKQMFZIMPJW-CYBMUJFWSA-N 2 0 279.815 2.654 20 0 CFADRP COc1c(C)cc(C[NH2+]CCCCCC[NH3+])cc1C ZINC000843127822 630807185 /nfs/dbraw/zinc/80/71/85/630807185.db2.gz QWMNKYUAHJBBHP-UHFFFAOYSA-N 2 0 264.413 2.921 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2(F)CC2)cc1 ZINC000809738770 631274729 /nfs/dbraw/zinc/27/47/29/631274729.db2.gz IXVWPXPCOMYPIX-UHFFFAOYSA-N 2 0 250.361 2.682 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2=CCCOC2)cc1 ZINC000809738937 631274810 /nfs/dbraw/zinc/27/48/10/631274810.db2.gz PZYPASDUJNLWIY-UHFFFAOYSA-N 2 0 274.408 2.527 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)o1 ZINC000809767950 631285346 /nfs/dbraw/zinc/28/53/46/631285346.db2.gz YUIXLCQGWYYQRE-ZBFHGGJFSA-N 2 0 262.397 2.813 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)CC1CC[NH+](C)CC1 ZINC000104085914 631294305 /nfs/dbraw/zinc/29/43/05/631294305.db2.gz YNAHRJVTDFHHKP-UHFFFAOYSA-N 2 0 296.842 2.992 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000841004653 631302201 /nfs/dbraw/zinc/30/22/01/631302201.db2.gz WETDXJUHPAWGHH-TZMCWYRMSA-N 2 0 280.387 2.654 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(SC(F)F)cc1 ZINC000841006481 631302268 /nfs/dbraw/zinc/30/22/68/631302268.db2.gz DVIGYSYOSOUVGF-UHFFFAOYSA-N 2 0 260.353 2.782 20 0 CFADRP Cc1ccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000841018760 631307480 /nfs/dbraw/zinc/30/74/80/631307480.db2.gz QUXGKTBCUXGAQO-IRXDYDNUSA-N 2 0 287.451 2.505 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000841032117 631312631 /nfs/dbraw/zinc/31/26/31/631312631.db2.gz LUEPNFGHGGELIB-UHFFFAOYSA-N 2 0 258.340 2.617 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841031835 631312739 /nfs/dbraw/zinc/31/27/39/631312739.db2.gz YSXZINYZVGZFNS-FUHWJXTLSA-N 2 0 293.499 2.748 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H](O)c1ccc(C)cc1 ZINC000842472924 631638983 /nfs/dbraw/zinc/63/89/83/631638983.db2.gz LFHVGRVNIOSXFY-FUHWJXTLSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000842472579 631639205 /nfs/dbraw/zinc/63/92/05/631639205.db2.gz FKWWLVIOSNAAJA-QGZVFWFLSA-N 2 0 276.424 2.969 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)no1 ZINC000842471728 631639242 /nfs/dbraw/zinc/63/92/42/631639242.db2.gz VHXOOBBNRQJFBT-UKRRQHHQSA-N 2 0 263.385 2.510 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1COC2 ZINC000842472795 631639656 /nfs/dbraw/zinc/63/96/56/631639656.db2.gz LKDBIQYWMCPHKJ-SFHVURJKSA-N 2 0 286.419 2.681 20 0 CFADRP [NH3+]CCCCCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000842476053 631640540 /nfs/dbraw/zinc/64/05/40/631640540.db2.gz FTUFBKOZFPHOOH-UHFFFAOYSA-N 2 0 261.413 2.955 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCc3cccs3)CC2)C1 ZINC000842478823 631641597 /nfs/dbraw/zinc/64/15/97/631641597.db2.gz LAVLULCTWRBVMZ-GDBMZVCRSA-N 2 0 294.464 2.509 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCc3cccs3)CC2)C1 ZINC000842478825 631642084 /nfs/dbraw/zinc/64/20/84/631642084.db2.gz LAVLULCTWRBVMZ-HOCLYGCPSA-N 2 0 294.464 2.509 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000842476490 631642103 /nfs/dbraw/zinc/64/21/03/631642103.db2.gz PUJVNNBQLXGVFS-INIZCTEOSA-N 2 0 268.445 2.787 20 0 CFADRP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1C ZINC000843055321 631818668 /nfs/dbraw/zinc/81/86/68/631818668.db2.gz YCYNSRYRXWSXNC-UHFFFAOYSA-N 2 0 262.397 2.705 20 0 CFADRP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1CCC([NH3+])CC1 ZINC000843055277 631818871 /nfs/dbraw/zinc/81/88/71/631818871.db2.gz VOPLLIFCHHWTCC-UHFFFAOYSA-N 2 0 290.436 2.840 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000843056403 631820520 /nfs/dbraw/zinc/82/05/20/631820520.db2.gz IZSNHFTWYLTXHH-INIZCTEOSA-N 2 0 262.397 2.522 20 0 CFADRP CCCCn1nc(C)c(CN2C[C@@H](C[NH3+])C[C@H]2C)c1Cl ZINC000843058133 631821374 /nfs/dbraw/zinc/82/13/74/631821374.db2.gz PXBXCGNLACDEQL-DGCLKSJQSA-N 2 0 298.862 2.814 20 0 CFADRP COc1ccc2oc(C[NH2+]C3CCC([NH3+])CC3)cc2c1 ZINC000843104827 631836814 /nfs/dbraw/zinc/83/68/14/631836814.db2.gz NRNNKBGYELAVFI-UHFFFAOYSA-N 2 0 274.364 2.801 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000843105593 631836901 /nfs/dbraw/zinc/83/69/01/631836901.db2.gz YIVRGFKAARPJHR-UHFFFAOYSA-N 2 0 273.355 2.733 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cnc1Cl ZINC000843125629 631844955 /nfs/dbraw/zinc/84/49/55/631844955.db2.gz ZKAIZBNPQLEFCF-GJZGRUSLSA-N 2 0 293.842 2.865 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000843127594 631846240 /nfs/dbraw/zinc/84/62/40/631846240.db2.gz FCCFIFXYGBBKCN-NWDGAFQWSA-N 2 0 262.397 2.616 20 0 CFADRP Cc1cc(C[NH2+]CCCCCC[NH3+])cnc1Cl ZINC000843127577 631846419 /nfs/dbraw/zinc/84/64/19/631846419.db2.gz QFFUFNDMNNEYMQ-UHFFFAOYSA-N 2 0 255.793 2.652 20 0 CFADRP COc1ccc2nc(C[NH2+]CCCCCC[NH3+])sc2c1 ZINC000843126883 631846951 /nfs/dbraw/zinc/84/69/51/631846951.db2.gz AQYUJQMMMMZRLA-UHFFFAOYSA-N 2 0 293.436 2.914 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cccc2cccnc21 ZINC000843127773 631848192 /nfs/dbraw/zinc/84/81/92/631848192.db2.gz IIKCJZDLJQEQBH-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843128914 631848199 /nfs/dbraw/zinc/84/81/99/631848199.db2.gz ZGDWEUQJAJQCRN-KBPBESRZSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000843129508 631849262 /nfs/dbraw/zinc/84/92/62/631849262.db2.gz VFLOVYXTDCKQRH-ILXRZTDVSA-N 2 0 294.489 2.615 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843339966 631930231 /nfs/dbraw/zinc/93/02/31/631930231.db2.gz GEAGVWOUJJLBSL-KHMAMNHCSA-N 2 0 294.464 2.538 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000843339955 631930752 /nfs/dbraw/zinc/93/07/52/631930752.db2.gz FUPZMKFKVRMGSN-IXDOHACOSA-N 2 0 288.435 2.742 20 0 CFADRP [NH3+]CCCCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000843342390 631932254 /nfs/dbraw/zinc/93/22/54/631932254.db2.gz MGMCAXJWVXNDOO-UHFFFAOYSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000843343120 631932614 /nfs/dbraw/zinc/93/26/14/631932614.db2.gz SHBUIHRSCDOMIF-GFCCVEGCSA-N 2 0 264.369 2.585 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCCCCC[NH3+])C[C@@H]1OC ZINC000843343267 631933656 /nfs/dbraw/zinc/93/36/56/631933656.db2.gz YNVHXHQPLJFLBQ-KGLIPLIRSA-N 2 0 256.434 2.689 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000843358817 631936621 /nfs/dbraw/zinc/93/66/21/631936621.db2.gz RXWHLHXLYWPGIG-UHFFFAOYSA-N 2 0 271.408 2.957 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000843386998 631942830 /nfs/dbraw/zinc/94/28/30/631942830.db2.gz PSBQMYDSPRQHKR-KBPBESRZSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)C[NH+](C)C ZINC000813877466 631971139 /nfs/dbraw/zinc/97/11/39/631971139.db2.gz WOIRXFHSKNJAFO-QAPCUYQASA-N 2 0 290.451 2.942 20 0 CFADRP CC[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000844170035 632131266 /nfs/dbraw/zinc/13/12/66/632131266.db2.gz FSFNAYDAQSMOGU-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP CCN(CC)C[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925485441 632203222 /nfs/dbraw/zinc/20/32/22/632203222.db2.gz CMSSRRVPGGFJMO-NVXWUHKLSA-N 2 0 277.456 2.787 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815558656 632289124 /nfs/dbraw/zinc/28/91/24/632289124.db2.gz KIEXVDRMPPGMTC-AWEZNQCLSA-N 2 0 282.403 2.753 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000815586533 632293519 /nfs/dbraw/zinc/29/35/19/632293519.db2.gz LFMYQDUGISLRNP-UYSNPLJNSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)n(C)n1 ZINC000815647928 632304132 /nfs/dbraw/zinc/30/41/32/632304132.db2.gz YWIUOWBHPWZOSH-HNNXBMFYSA-N 2 0 278.444 2.645 20 0 CFADRP C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844925441 632334464 /nfs/dbraw/zinc/33/44/64/632334464.db2.gz UZCMLYOFFQOIRE-ZDEQEGDKSA-N 2 0 262.800 2.811 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000844922187 632337054 /nfs/dbraw/zinc/33/70/54/632337054.db2.gz LZGHFPBEHAAOJH-CYBMUJFWSA-N 2 0 262.397 2.865 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000844921447 632337190 /nfs/dbraw/zinc/33/71/90/632337190.db2.gz JITLUEZNHMFJCB-HNNXBMFYSA-N 2 0 274.408 2.791 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000844922535 632338233 /nfs/dbraw/zinc/33/82/33/632338233.db2.gz AJPMNPKNQMWSKL-OUAUKWLOSA-N 2 0 265.228 2.691 20 0 CFADRP CC[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)[C@@H]1CCC[NH2+]1 ZINC000844926641 632339684 /nfs/dbraw/zinc/33/96/84/632339684.db2.gz ZYGPMADTNWDNQL-RVMXOQNASA-N 2 0 262.800 2.811 20 0 CFADRP [NH3+]CCCCCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000846219918 632665341 /nfs/dbraw/zinc/66/53/41/632665341.db2.gz CBQGZFLORKXMQJ-UHFFFAOYSA-N 2 0 276.424 2.801 20 0 CFADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220855 632666597 /nfs/dbraw/zinc/66/65/97/632666597.db2.gz WMFSMVCEMMFWIW-SFHVURJKSA-N 2 0 289.467 2.712 20 0 CFADRP CCCCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846222904 632666783 /nfs/dbraw/zinc/66/67/83/632666783.db2.gz MKWSLZORYXECHM-JYJNAYRXSA-N 2 0 268.445 2.785 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846222349 632667515 /nfs/dbraw/zinc/66/75/15/632667515.db2.gz VQEKOTUJFMTWDS-UHFFFAOYSA-N 3 0 269.477 2.558 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000846223705 632668639 /nfs/dbraw/zinc/66/86/39/632668639.db2.gz MJNOFPJMVBAMBN-UHFFFAOYSA-N 2 0 268.445 2.644 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCc3cccs3)C2)C1 ZINC000846225236 632668700 /nfs/dbraw/zinc/66/87/00/632668700.db2.gz LNOXMLLXJGPXPV-FMKPAKJESA-N 2 0 294.464 2.509 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCc3cccs3)C2)C1 ZINC000846225238 632668857 /nfs/dbraw/zinc/66/88/57/632668857.db2.gz LNOXMLLXJGPXPV-LZWOXQAQSA-N 2 0 294.464 2.509 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817891550 632718141 /nfs/dbraw/zinc/71/81/41/632718141.db2.gz CRZRQOWLDVNRTG-WNRNVDISSA-N 2 0 288.435 2.539 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817889908 632718397 /nfs/dbraw/zinc/71/83/97/632718397.db2.gz QHMOFJQXNRGINW-ACJLOTCBSA-N 2 0 299.418 2.541 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817892105 632718694 /nfs/dbraw/zinc/71/86/94/632718694.db2.gz QTIKOUBAWMBHBV-ZIAGYGMSSA-N 2 0 289.423 2.591 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000817897090 632721009 /nfs/dbraw/zinc/72/10/09/632721009.db2.gz DTFRMYLJAKFAKD-HNKHHVNMSA-N 2 0 278.465 2.819 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000817897561 632721747 /nfs/dbraw/zinc/72/17/47/632721747.db2.gz RYFVUTOUQVKDPQ-SOLBZPMBSA-N 2 0 287.451 2.681 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817898125 632722013 /nfs/dbraw/zinc/72/20/13/632722013.db2.gz DCDUELAPTHFVAQ-UKRRQHHQSA-N 2 0 280.387 2.702 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817899359 632723130 /nfs/dbraw/zinc/72/31/30/632723130.db2.gz NRTKVGYZGYCLGD-GJZGRUSLSA-N 2 0 280.387 2.844 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817899746 632724170 /nfs/dbraw/zinc/72/41/70/632724170.db2.gz PGMGRFCXUQBSRX-GDBMZVCRSA-N 2 0 298.434 2.973 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817899749 632724401 /nfs/dbraw/zinc/72/44/01/632724401.db2.gz PGMGRFCXUQBSRX-ZBFHGGJFSA-N 2 0 298.434 2.973 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)SC ZINC000817901821 632725029 /nfs/dbraw/zinc/72/50/29/632725029.db2.gz XYVKRRLOANBTIL-CHWSQXEVSA-N 2 0 258.475 2.886 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902414 632725728 /nfs/dbraw/zinc/72/57/28/632725728.db2.gz QFBCTXKHMOGTEC-QWHCGFSZSA-N 2 0 267.804 2.527 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000817905778 632728147 /nfs/dbraw/zinc/72/81/47/632728147.db2.gz NUQLYBQSWNBERN-HOTUBEGUSA-N 2 0 291.222 2.742 20 0 CFADRP Cc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000817906714 632728407 /nfs/dbraw/zinc/72/84/07/632728407.db2.gz CQJQJNNQEFQWAK-XYPWUTKMSA-N 2 0 274.408 2.637 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817907439 632729194 /nfs/dbraw/zinc/72/91/94/632729194.db2.gz OEWQGIQLQUDPEG-SJORKVTESA-N 2 0 276.424 2.884 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000817908594 632730241 /nfs/dbraw/zinc/73/02/41/632730241.db2.gz SWMAGHXUXRXVKS-SRVKXCTJSA-N 2 0 254.805 2.986 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000817912281 632730861 /nfs/dbraw/zinc/73/08/61/632730861.db2.gz FYKXNESGPCSEMB-BPQIPLTHSA-N 2 0 290.451 2.795 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817922253 632735788 /nfs/dbraw/zinc/73/57/88/632735788.db2.gz CFKCSAIVOJIQGD-IUODEOHRSA-N 2 0 284.831 2.655 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000817922886 632736015 /nfs/dbraw/zinc/73/60/15/632736015.db2.gz NTFLVUHVPUDCLI-JYJNAYRXSA-N 2 0 296.842 2.797 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817924365 632736834 /nfs/dbraw/zinc/73/68/34/632736834.db2.gz VGLMWTVHDWLJCO-CMPLNLGQSA-N 2 0 253.777 2.528 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1Cl ZINC000817923372 632736905 /nfs/dbraw/zinc/73/69/05/632736905.db2.gz XCTISBFFFMVTDH-PMPSAXMXSA-N 2 0 296.842 2.797 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000817929121 632738631 /nfs/dbraw/zinc/73/86/31/632738631.db2.gz DWMZQJATIOALNA-PKFCDNJMSA-N 2 0 252.789 2.523 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1(Cl)Cl ZINC000817935683 632738661 /nfs/dbraw/zinc/73/86/61/632738661.db2.gz CRMYOWUBHVLLQK-VWYCJHECSA-N 2 0 265.228 2.677 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](O)c1ccccc1 ZINC000817927525 632738698 /nfs/dbraw/zinc/73/86/98/632738698.db2.gz NMUQUTVLPAMFOE-OIISXLGYSA-N 2 0 278.440 2.852 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H](O)c1ccccc1 ZINC000817927399 632739100 /nfs/dbraw/zinc/73/91/00/632739100.db2.gz KHUJMJAPHSAAAG-XIRDDKMYSA-N 2 0 278.440 2.996 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000817932607 632740612 /nfs/dbraw/zinc/74/06/12/632740612.db2.gz VOKAIUTXZGJUSQ-WPKBUWHJSA-N 2 0 299.418 2.621 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](O)c1ccccc1 ZINC000817932862 632740777 /nfs/dbraw/zinc/74/07/77/632740777.db2.gz XWHCXUBOXYKLPB-XKDXWZMYSA-N 2 0 282.387 2.843 20 0 CFADRP COc1c(C)cc([C@H](C)[NH2+]CCC[NH3+])cc1Cl ZINC000817938803 632743383 /nfs/dbraw/zinc/74/33/83/632743383.db2.gz SPKOMHCKMLHLQE-JTQLQIEISA-N 2 0 256.777 2.656 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817944116 632746355 /nfs/dbraw/zinc/74/63/55/632746355.db2.gz XRTMLKYBWUHZOR-HNNXBMFYSA-N 2 0 262.397 2.662 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(CO)c1 ZINC000817949210 632750841 /nfs/dbraw/zinc/75/08/41/632750841.db2.gz NYRXEIFMBXIYEN-AWEZNQCLSA-N 2 0 284.403 2.531 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(O)c1 ZINC000817950229 632750861 /nfs/dbraw/zinc/75/08/61/632750861.db2.gz WSTQTTPNMAMBEG-ZDUSSCGKSA-N 2 0 270.376 2.744 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@H](C)[NH3+])cnn1-c1ccccc1 ZINC000817954442 632754000 /nfs/dbraw/zinc/75/40/00/632754000.db2.gz ZCEYSRNMWWRPRY-STQMWFEESA-N 2 0 272.396 2.569 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817954742 632754986 /nfs/dbraw/zinc/75/49/86/632754986.db2.gz ICJFNQPWAZBWGF-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)nc1 ZINC000817959302 632758084 /nfs/dbraw/zinc/75/80/84/632758084.db2.gz FQBGEIKBTLSBET-DMDPSCGWSA-N 2 0 267.804 2.903 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1C ZINC000817962187 632761712 /nfs/dbraw/zinc/76/17/12/632761712.db2.gz IFDPLHONTOSVCC-GXFFZTMASA-N 2 0 250.386 2.557 20 0 CFADRP Cc1cc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)n(C)n1 ZINC000817962180 632761869 /nfs/dbraw/zinc/76/18/69/632761869.db2.gz GWTFFEZVRJCKSP-STQMWFEESA-N 2 0 272.396 2.599 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1C ZINC000817962188 632761893 /nfs/dbraw/zinc/76/18/93/632761893.db2.gz IFDPLHONTOSVCC-MFKMUULPSA-N 2 0 250.386 2.557 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817963945 632762710 /nfs/dbraw/zinc/76/27/10/632762710.db2.gz YZZZEWHQERWELC-SWLSCSKDSA-N 2 0 262.397 2.647 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCCO2 ZINC000817964996 632763224 /nfs/dbraw/zinc/76/32/24/632763224.db2.gz MDOUEPWSLOKNGM-OAHLLOKOSA-N 2 0 274.408 2.934 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817967693 632766053 /nfs/dbraw/zinc/76/60/53/632766053.db2.gz BAEFMVMJKUGISI-TZMCWYRMSA-N 2 0 250.361 2.927 20 0 CFADRP COCc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968774 632767351 /nfs/dbraw/zinc/76/73/51/632767351.db2.gz MGROIUMKGTUMBX-CJNGLKHVSA-N 2 0 292.423 2.634 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817968524 632767640 /nfs/dbraw/zinc/76/76/40/632767640.db2.gz KZOWXXXGHJKOQY-CMPLNLGQSA-N 2 0 253.777 2.528 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969883 632768947 /nfs/dbraw/zinc/76/89/47/632768947.db2.gz HKCSUYPVUXKGKJ-GLQYFDAESA-N 2 0 260.381 2.542 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976107 632774197 /nfs/dbraw/zinc/77/41/97/632774197.db2.gz GGXCJIMTLPBIFC-CZUORRHYSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)nc1 ZINC000817976353 632774576 /nfs/dbraw/zinc/77/45/76/632774576.db2.gz KMZBMUGMTVNDQJ-ZYHUDNBSSA-N 2 0 265.788 2.528 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000817978084 632775090 /nfs/dbraw/zinc/77/50/90/632775090.db2.gz VPWUIQZYBQGRLP-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP COCc1cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OC ZINC000817978017 632775098 /nfs/dbraw/zinc/77/50/98/632775098.db2.gz TZDMJWLTEANZPX-QWHCGFSZSA-N 2 0 280.412 2.620 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc(Br)cs1 ZINC000817977159 632775220 /nfs/dbraw/zinc/77/52/20/632775220.db2.gz CSZRZJXJZYVNNQ-HTQZYQBOSA-N 2 0 292.246 2.684 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)CCO2 ZINC000817984618 632781313 /nfs/dbraw/zinc/78/13/13/632781313.db2.gz VXBIFBBXRUGXBR-INIZCTEOSA-N 2 0 274.408 2.804 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000818334261 632831444 /nfs/dbraw/zinc/83/14/44/632831444.db2.gz LHQXZGAGFWJMIR-ZJUUUORDSA-N 2 0 265.228 2.548 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819043689 632940528 /nfs/dbraw/zinc/94/05/28/632940528.db2.gz UDSNTVVMDAYUDM-QGZVFWFLSA-N 2 0 294.414 2.713 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000819102452 632965745 /nfs/dbraw/zinc/96/57/45/632965745.db2.gz JRILZFBOLHMAMG-WFASDCNBSA-N 2 0 298.858 2.939 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819107442 632966380 /nfs/dbraw/zinc/96/63/80/632966380.db2.gz YXALBENRSVJGCT-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819135028 632981067 /nfs/dbraw/zinc/98/10/67/632981067.db2.gz SASZHDKDAHCDFN-OAGGEKHMSA-N 2 0 296.842 2.836 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000819332686 633088390 /nfs/dbraw/zinc/08/83/90/633088390.db2.gz BTYRBKPBIHSIKM-GOSISDBHSA-N 2 0 290.451 2.884 20 0 CFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccccc1 ZINC000819333639 633088542 /nfs/dbraw/zinc/08/85/42/633088542.db2.gz NSNSZJNIYAMMBR-KRWDZBQOSA-N 2 0 276.424 2.576 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000819333631 633088621 /nfs/dbraw/zinc/08/86/21/633088621.db2.gz NPLCAFVTHZVBAH-GOSISDBHSA-N 2 0 290.451 2.884 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000819355789 633103913 /nfs/dbraw/zinc/10/39/13/633103913.db2.gz VQFLTJBUPCXNJE-SFHVURJKSA-N 2 0 288.435 2.635 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000819354334 633104178 /nfs/dbraw/zinc/10/41/78/633104178.db2.gz PZAHXTDXNSMQFI-UYTSQGDYSA-N 2 0 268.445 2.533 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccccc1Cl)C1CC1 ZINC000819360544 633110678 /nfs/dbraw/zinc/11/06/78/633110678.db2.gz CQNQXKYXEOIXRV-INIZCTEOSA-N 2 0 296.842 2.837 20 0 CFADRP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000819376154 633137879 /nfs/dbraw/zinc/13/78/79/633137879.db2.gz XIEWNJDXESOBFI-VMBOVVBDSA-N 2 0 294.414 2.630 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848557948 633288523 /nfs/dbraw/zinc/28/85/23/633288523.db2.gz MAUWARBDMZXLKI-RWMBFGLXSA-N 2 0 258.475 2.836 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(-c2ccccc2)c1 ZINC000848557734 633288657 /nfs/dbraw/zinc/28/86/57/633288657.db2.gz JTVWZEGAUWTHFR-RLFYNMQTSA-N 2 0 298.434 2.863 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000848574578 633294090 /nfs/dbraw/zinc/29/40/90/633294090.db2.gz FXABCDFEMQACDK-QBPKDAKJSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C1 ZINC000848721986 633325405 /nfs/dbraw/zinc/32/54/05/633325405.db2.gz JYBKRJPMXKTHNM-GMTAPVOTSA-N 2 0 265.228 2.820 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857252903 635957102 /nfs/dbraw/zinc/95/71/02/635957102.db2.gz FTFYOLPGWXDQAY-VWYCJHECSA-N 2 0 265.228 2.548 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857252898 635957171 /nfs/dbraw/zinc/95/71/71/635957171.db2.gz FTFYOLPGWXDQAY-MXWKQRLJSA-N 2 0 265.228 2.548 20 0 CFADRP CCCCCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000849023056 633465261 /nfs/dbraw/zinc/46/52/61/633465261.db2.gz IVIQFKXOUAAFDG-HNNXBMFYSA-N 2 0 280.460 2.698 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030019 633469801 /nfs/dbraw/zinc/46/98/01/633469801.db2.gz DGQGAUIHNZARFT-KGLIPLIRSA-N 2 0 270.465 2.513 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030018 633470114 /nfs/dbraw/zinc/47/01/14/633470114.db2.gz DGQGAUIHNZARFT-KBPBESRZSA-N 2 0 270.465 2.513 20 0 CFADRP CC[N@H+](CCCNC(=[NH2+])NC(C)C)C1CCCCC1 ZINC000849046354 633479315 /nfs/dbraw/zinc/47/93/15/633479315.db2.gz CJBYXGNPSBJQNL-UHFFFAOYSA-N 2 0 268.449 2.553 20 0 CFADRP CC1(C)CCC[N@H+](CCNC(=[NH2+])N2CCCCCC2)C1 ZINC000849105432 633486260 /nfs/dbraw/zinc/48/62/60/633486260.db2.gz LGPTVRFMEZXLQC-UHFFFAOYSA-N 2 0 280.460 2.509 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000849350324 633625845 /nfs/dbraw/zinc/62/58/45/633625845.db2.gz XUEGBTDKQCVVKI-MNOVXSKESA-N 2 0 264.335 2.969 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1(C)C ZINC000858090668 636122315 /nfs/dbraw/zinc/12/23/15/636122315.db2.gz JNEWOWBXQMXABG-GJZGRUSLSA-N 2 0 296.842 2.836 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850163054 633865255 /nfs/dbraw/zinc/86/52/55/633865255.db2.gz WWMNUEURZYZMMM-IUODEOHRSA-N 2 0 288.420 2.641 20 0 CFADRP C[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000850512054 634024510 /nfs/dbraw/zinc/02/45/10/634024510.db2.gz VAIMWIYJFWPHSO-ZBFHGGJFSA-N 2 0 274.408 2.996 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1SCCS1 ZINC000853022520 634879496 /nfs/dbraw/zinc/87/94/96/634879496.db2.gz AJAPHKOMZHHSGG-QWHCGFSZSA-N 2 0 286.510 2.647 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1SCCS1 ZINC000853023044 634879705 /nfs/dbraw/zinc/87/97/05/634879705.db2.gz LGPDZSOIIXMDGG-CHWSQXEVSA-N 2 0 286.510 2.504 20 0 CFADRP COc1ccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000853232060 634947266 /nfs/dbraw/zinc/94/72/66/634947266.db2.gz QSWXLWZHDLWYRB-GFCCVEGCSA-N 2 0 283.375 2.892 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1SCCS1 ZINC000854230054 635267027 /nfs/dbraw/zinc/26/70/27/635267027.db2.gz FLKHUPZQBOEIOU-JTQLQIEISA-N 2 0 297.493 2.696 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925489512 635657328 /nfs/dbraw/zinc/65/73/28/635657328.db2.gz KLEJSMGOTJVGHE-LSDHHAIUSA-N 2 0 275.440 2.748 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cc2)C12CCC2 ZINC000925490003 635761379 /nfs/dbraw/zinc/76/13/79/635761379.db2.gz GMYOIHYNWOARIK-KBPBESRZSA-N 2 0 280.799 2.578 20 0 CFADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157383364 650215537 /nfs/dbraw/zinc/21/55/37/650215537.db2.gz PZGSJUCOYVKGPE-RRQGHBQHSA-N 2 0 275.440 2.697 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2Cl)C1 ZINC000856765678 635850550 /nfs/dbraw/zinc/85/05/50/635850550.db2.gz JVWCKZAOWOQMDD-ZDUSSCGKSA-N 2 0 298.862 2.675 20 0 CFADRP OC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)CCCCC1 ZINC000115545567 636021826 /nfs/dbraw/zinc/02/18/26/636021826.db2.gz ZCYAGXKCMIKZPL-UHFFFAOYSA-N 2 0 280.456 2.632 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CCCc3c[nH]nc32)C1 ZINC000857848364 636031270 /nfs/dbraw/zinc/03/12/70/636031270.db2.gz IDMMQXWSLVTBTF-IIAWOOMASA-N 2 0 290.455 2.745 20 0 CFADRP CCOC(CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OCC ZINC000858087209 636121665 /nfs/dbraw/zinc/12/16/65/636121665.db2.gz AWSJQLMMMXURGT-CQSZACIVSA-N 2 0 286.460 2.628 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC1(C)C ZINC000858142786 636138297 /nfs/dbraw/zinc/13/82/97/636138297.db2.gz MIUQGSURBNFLPP-WFASDCNBSA-N 2 0 296.842 2.836 20 0 CFADRP Cc1cc([C@](C)(O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC000858145351 636138823 /nfs/dbraw/zinc/13/88/23/636138823.db2.gz RQKIRBWIEPBCSH-WMLDXEAASA-N 2 0 294.439 2.566 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858162964 636144244 /nfs/dbraw/zinc/14/42/44/636144244.db2.gz STNWDGLJOLXTQB-IAGOWNOFSA-N 2 0 290.451 2.745 20 0 CFADRP CCC[C@H](C)CCC[C@@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000858405894 636222908 /nfs/dbraw/zinc/22/29/08/636222908.db2.gz UMBUAQYVHLNUIT-ARFHVFGLSA-N 2 0 270.461 2.638 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(F)c2)C[C@H]1C ZINC000859155693 636476777 /nfs/dbraw/zinc/47/67/77/636476777.db2.gz OJEBYFZDVWSSKF-TZMCWYRMSA-N 2 0 265.376 2.525 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862277129 637307494 /nfs/dbraw/zinc/30/74/94/637307494.db2.gz PXJKYNDEFWLISL-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000862483569 637399120 /nfs/dbraw/zinc/39/91/20/637399120.db2.gz UYIZOSQOTZBVIC-MRXNPFEDSA-N 2 0 275.440 2.644 20 0 CFADRP C[C@H]([NH2+]CCCCCCc1ccccc1)C1C[NH2+]C1 ZINC000863542831 637690297 /nfs/dbraw/zinc/69/02/97/637690297.db2.gz SPXIBZMNHUYOPU-HNNXBMFYSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCCCCC[NH3+])C2 ZINC000863545815 637691531 /nfs/dbraw/zinc/69/15/31/637691531.db2.gz BTIASMNNPCFJAN-UHFFFAOYSA-N 2 0 290.455 2.651 20 0 CFADRP C[C@]1(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000863651912 637726157 /nfs/dbraw/zinc/72/61/57/637726157.db2.gz OZVNVYULNVQIAO-FJIDUMEYSA-N 2 0 270.420 2.722 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2cnn(CC3CC[NH2+]CC3)c2)cc1 ZINC000863713765 637753988 /nfs/dbraw/zinc/75/39/88/637753988.db2.gz SHBACYCBCXPNEC-ZDUSSCGKSA-N 2 0 284.407 2.569 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864449775 637983782 /nfs/dbraw/zinc/98/37/82/637983782.db2.gz ANLQUIUVPCMMFI-CJNGLKHVSA-N 2 0 288.439 2.551 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)c21 ZINC000925493544 638195471 /nfs/dbraw/zinc/19/54/71/638195471.db2.gz QCYYGKSJPCZYBG-HOTGVXAUSA-N 2 0 283.419 2.878 20 0 CFADRP CC(C)[NH+]1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865413841 638320665 /nfs/dbraw/zinc/32/06/65/638320665.db2.gz AAPOSMJLVIWQFI-UHFFFAOYSA-N 2 0 287.329 2.807 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865447974 638341166 /nfs/dbraw/zinc/34/11/66/638341166.db2.gz VJGAJDGEORVBND-QWRGUYRKSA-N 2 0 285.313 2.561 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865457241 638347529 /nfs/dbraw/zinc/34/75/29/638347529.db2.gz XUNLBVWUTURAPU-CYBMUJFWSA-N 2 0 287.382 2.805 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000865561619 638424505 /nfs/dbraw/zinc/42/45/05/638424505.db2.gz OAXAJXADKBOVPY-LLVKDONJSA-N 2 0 283.297 2.551 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000865716930 638531576 /nfs/dbraw/zinc/53/15/76/638531576.db2.gz IMDKRSCXHCOIMK-ZWKOTPCHSA-N 3 0 293.499 2.713 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cscn2)CC1 ZINC000865717194 638532366 /nfs/dbraw/zinc/53/23/66/638532366.db2.gz RROKTOIKRSVRSB-UHFFFAOYSA-N 2 0 267.442 2.743 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000865717795 638532445 /nfs/dbraw/zinc/53/24/45/638532445.db2.gz LPIOJAGCCHMIHS-KRWDZBQOSA-N 3 0 295.515 2.959 20 0 CFADRP Cc1ncccc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717265 638532991 /nfs/dbraw/zinc/53/29/91/638532991.db2.gz VEZGKWNDKBWUJF-UHFFFAOYSA-N 2 0 275.440 2.990 20 0 CFADRP C1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)([C@H]2CCCCO2)C1 ZINC000865856155 638616585 /nfs/dbraw/zinc/61/65/85/638616585.db2.gz GFUDUJZRLZOVDU-OWCLPIDISA-N 2 0 278.440 2.695 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000865860532 638621688 /nfs/dbraw/zinc/62/16/88/638621688.db2.gz FICQOIZQNLDJQB-UHFFFAOYSA-N 2 0 299.340 2.951 20 0 CFADRP COCCN(CC1CC[NH+](C)CC1)c1ccncc1Cl ZINC000865996506 638690754 /nfs/dbraw/zinc/69/07/54/638690754.db2.gz OMHYEIUSSPCMJJ-UHFFFAOYSA-N 2 0 297.830 2.530 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866207844 638771037 /nfs/dbraw/zinc/77/10/37/638771037.db2.gz XUBXSAFGKCEANM-GUYCJALGSA-N 2 0 297.402 2.774 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000866235184 638776646 /nfs/dbraw/zinc/77/66/46/638776646.db2.gz YHYZAFNOAMMYET-QGZVFWFLSA-N 2 0 290.451 2.628 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866241031 638778024 /nfs/dbraw/zinc/77/80/24/638778024.db2.gz UBXUQNUVQBUPRU-WBVHZDCISA-N 2 0 275.440 2.724 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866248145 638779485 /nfs/dbraw/zinc/77/94/85/638779485.db2.gz LPHMOCMBEABHIW-WBVHZDCISA-N 2 0 275.440 2.724 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000866259584 638782558 /nfs/dbraw/zinc/78/25/58/638782558.db2.gz CWOGHGKVFCVDFZ-OAHLLOKOSA-N 2 0 260.425 2.857 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000866315965 638796139 /nfs/dbraw/zinc/79/61/39/638796139.db2.gz VJSRRANHHNFTOX-HNNXBMFYSA-N 2 0 258.409 2.778 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866378130 638809644 /nfs/dbraw/zinc/80/96/44/638809644.db2.gz MPMCAAKURPDPMY-BHUNQDJPSA-N 2 0 280.456 2.797 20 0 CFADRP COC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)C(C)C ZINC000866467667 638826158 /nfs/dbraw/zinc/82/61/58/638826158.db2.gz NGHBHFCJXYXZDJ-INIZCTEOSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000866467277 638826343 /nfs/dbraw/zinc/82/63/43/638826343.db2.gz BUBFGSCNJNNWHT-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468254 638826591 /nfs/dbraw/zinc/82/65/91/638826591.db2.gz DBTAVNHJPONAEB-AWEZNQCLSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000866468305 638826603 /nfs/dbraw/zinc/82/66/03/638826603.db2.gz DOLDBPLWVBLYRB-ZBFHGGJFSA-N 2 0 290.455 2.989 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000866470400 638826669 /nfs/dbraw/zinc/82/66/69/638826669.db2.gz XSLYIRDPDXZZPX-AWEZNQCLSA-N 2 0 278.444 2.581 20 0 CFADRP C(C[C@@H]1CCCS1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866477722 638827530 /nfs/dbraw/zinc/82/75/30/638827530.db2.gz BDICMFRQPFYEMF-HNNXBMFYSA-N 2 0 268.470 2.736 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000866479015 638828056 /nfs/dbraw/zinc/82/80/56/638828056.db2.gz NZWRRTXGHPDIAY-UHFFFAOYSA-N 2 0 288.435 2.722 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866509979 638832722 /nfs/dbraw/zinc/83/27/22/638832722.db2.gz HFZCSYXBMJTUMN-FUHWJXTLSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866515611 638834037 /nfs/dbraw/zinc/83/40/37/638834037.db2.gz DSCZTIGJJVTXKF-TUBUQKNSSA-N 2 0 298.471 2.959 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000866517600 638834459 /nfs/dbraw/zinc/83/44/59/638834459.db2.gz JSVYVWNNBZWJTC-HWOWSKLDSA-N 2 0 280.456 2.798 20 0 CFADRP CCn1ccnc1[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518319 638834591 /nfs/dbraw/zinc/83/45/91/638834591.db2.gz XKSKPFSQLMQHFX-HLIUYOAVSA-N 2 0 278.444 2.817 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC12CCOCC2 ZINC000866528213 638835727 /nfs/dbraw/zinc/83/57/27/638835727.db2.gz WNGMLRIAEIJCBI-MRXNPFEDSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000866665213 638862661 /nfs/dbraw/zinc/86/26/61/638862661.db2.gz FFJQAPPNANHDMJ-IMJJTQAJSA-N 2 0 282.472 2.887 20 0 CFADRP C(CC1CC1)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866665150 638862781 /nfs/dbraw/zinc/86/27/81/638862781.db2.gz CLXRGWNKGNAMDH-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP c1oc(C2CC2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866665916 638863115 /nfs/dbraw/zinc/86/31/15/638863115.db2.gz KUOIOYJUJGDICU-CABCVRRESA-N 2 0 289.423 2.764 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)OC1 ZINC000866665973 638863426 /nfs/dbraw/zinc/86/34/26/638863426.db2.gz JOYBVHZIJQLGEH-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)OC1 ZINC000866669109 638863665 /nfs/dbraw/zinc/86/36/65/638863665.db2.gz PTHUQAFXMIQRAN-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCCCCC[NH3+])CC1 ZINC000866672458 638864141 /nfs/dbraw/zinc/86/41/41/638864141.db2.gz MDKOAGSIYLSKNK-UHFFFAOYSA-N 3 0 281.488 2.846 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000866704032 638868334 /nfs/dbraw/zinc/86/83/34/638868334.db2.gz OFDBSCHTIGOKAU-JKSUJKDBSA-N 2 0 288.460 2.517 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3CSC[C@@H]3C1)C[NH2+]CC2 ZINC000866704631 638868440 /nfs/dbraw/zinc/86/84/40/638868440.db2.gz WQIGPPIVUAFXPC-RDJZCZTQSA-N 2 0 288.460 2.517 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCc2ccccc2)C1 ZINC000866705291 638868542 /nfs/dbraw/zinc/86/85/42/638868542.db2.gz WZVGPRUJBORDHP-KRWDZBQOSA-N 2 0 260.425 2.926 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000866706107 638868832 /nfs/dbraw/zinc/86/88/32/638868832.db2.gz LYYBZNLOTWKZIJ-KRWDZBQOSA-N 2 0 294.414 2.901 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708662 638869053 /nfs/dbraw/zinc/86/90/53/638869053.db2.gz SQNDGQBRAUSBRK-XJKSGUPXSA-N 2 0 261.413 2.840 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CCN(CCC[NH+]2CCCCC2)C1 ZINC000866709733 638869525 /nfs/dbraw/zinc/86/95/25/638869525.db2.gz ZNMAKDMPNDMAQX-KRWDZBQOSA-N 3 0 281.488 2.559 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(Cl)nc1)C1CC[NH+](C)CC1 ZINC000122846452 639475267 /nfs/dbraw/zinc/47/52/67/639475267.db2.gz JOBTVWQVETXEBZ-GFCCVEGCSA-N 2 0 281.831 2.597 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870911190 641119069 /nfs/dbraw/zinc/11/90/69/641119069.db2.gz WNJNDXFAOCLHCY-GASCZTMLSA-N 2 0 289.423 2.513 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)CC ZINC000872021779 641552180 /nfs/dbraw/zinc/55/21/80/641552180.db2.gz QQCJAFSQNAEJEN-HNNXBMFYSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872022252 641552601 /nfs/dbraw/zinc/55/26/01/641552601.db2.gz IQLGNFZMAVMPAX-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCCOC1 ZINC000872034916 641566403 /nfs/dbraw/zinc/56/64/03/641566403.db2.gz RRSPQKAIBKFGQS-ZACQAIPSSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000872035288 641567670 /nfs/dbraw/zinc/56/76/70/641567670.db2.gz VRGWANMKPHLTTE-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(O)c1F ZINC000872059307 641592273 /nfs/dbraw/zinc/59/22/73/641592273.db2.gz DFJAQGKWCGSYIT-LBPRGKRZSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872059723 641592322 /nfs/dbraw/zinc/59/23/22/641592322.db2.gz ILBIIGVVAYFNDT-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)ccc12 ZINC000872080044 641613800 /nfs/dbraw/zinc/61/38/00/641613800.db2.gz RXTUBMXKWDZOKJ-OAHLLOKOSA-N 2 0 285.391 2.916 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(O)ccc1F ZINC000872080391 641613828 /nfs/dbraw/zinc/61/38/28/641613828.db2.gz WKEXQXKCBFJSMO-QWHCGFSZSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(O)c1F ZINC000872080768 641614810 /nfs/dbraw/zinc/61/48/10/641614810.db2.gz ZLJRKLLGFSCGOK-STQMWFEESA-N 2 0 280.387 2.914 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872082925 641617201 /nfs/dbraw/zinc/61/72/01/641617201.db2.gz DXKQTIPRTDUIQH-KBXIAJHMSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(O)c1F ZINC000872085482 641619501 /nfs/dbraw/zinc/61/95/01/641619501.db2.gz ZCGLXELRPWCIED-UTUOFQBUSA-N 2 0 266.360 2.522 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCOC1 ZINC000872088759 641622749 /nfs/dbraw/zinc/62/27/49/641622749.db2.gz PYVGCFRAZOVZNJ-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(OC(C)C)CCC2)CC1 ZINC000872117330 641648118 /nfs/dbraw/zinc/64/81/18/641648118.db2.gz QBKWFXCGWOGMIJ-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](O)c2ccccc2)CC1 ZINC000872134466 641662307 /nfs/dbraw/zinc/66/23/07/641662307.db2.gz BZHCZWVXKDGHFI-ROUUACIJSA-N 2 0 290.451 2.963 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143671 641670054 /nfs/dbraw/zinc/67/00/54/641670054.db2.gz VXRWDNJIXSMZJW-IXDOHACOSA-N 2 0 292.467 2.657 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000872145255 641672955 /nfs/dbraw/zinc/67/29/55/641672955.db2.gz QSORBLQLJIUVPK-IRXDYDNUSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155362 641676033 /nfs/dbraw/zinc/67/60/33/641676033.db2.gz KYZGXDKCSOITFB-HNNXBMFYSA-N 2 0 297.487 2.617 20 0 CFADRP CCOCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156073 641677651 /nfs/dbraw/zinc/67/76/51/641677651.db2.gz DJLADHGFHOGZKP-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872250888 641718041 /nfs/dbraw/zinc/71/80/41/641718041.db2.gz DGDFQOKBPVLTSG-GFCCVEGCSA-N 2 0 267.442 2.628 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cnc1Cl ZINC000872250777 641718203 /nfs/dbraw/zinc/71/82/03/641718203.db2.gz BHWHGBGGQRVAQD-ZDUSSCGKSA-N 2 0 281.831 2.911 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CC[NH2+]1 ZINC000872255295 641719389 /nfs/dbraw/zinc/71/93/89/641719389.db2.gz AVMMLIUWOHQNJF-BFYDXBDKSA-N 2 0 280.456 2.798 20 0 CFADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)n2)cc1 ZINC000873201854 642064445 /nfs/dbraw/zinc/06/44/45/642064445.db2.gz NZZUUYXJSOPUGG-AWEZNQCLSA-N 2 0 296.418 2.502 20 0 CFADRP c1c(C[NH+]2CCc3ccccc3CC2)sc2c1C[NH2+]CC2 ZINC000873205054 642065978 /nfs/dbraw/zinc/06/59/78/642065978.db2.gz JVFQPZJJVVMRLG-UHFFFAOYSA-N 2 0 298.455 2.995 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219026 642073239 /nfs/dbraw/zinc/07/32/39/642073239.db2.gz CHCZJGXTWCZPDI-CQSZACIVSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873220626 642073835 /nfs/dbraw/zinc/07/38/35/642073835.db2.gz PUDKPKMUZYUFQN-CHWSQXEVSA-N 2 0 264.388 2.907 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000873221689 642074767 /nfs/dbraw/zinc/07/47/67/642074767.db2.gz NJYFNTOICNCHKD-LLVKDONJSA-N 2 0 281.469 2.918 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H](C)C3CC[NH2+]CC3)oc21 ZINC000873222349 642074946 /nfs/dbraw/zinc/07/49/46/642074946.db2.gz OINUDVUASNWKOH-LBPRGKRZSA-N 2 0 288.391 2.919 20 0 CFADRP C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C1CC[NH2+]CC1 ZINC000873222375 642075028 /nfs/dbraw/zinc/07/50/28/642075028.db2.gz PGDCQUAPINBMBA-NSHDSACASA-N 2 0 281.469 2.918 20 0 CFADRP C[C@H]([NH2+]Cc1cscc1Cl)C1CC[NH2+]CC1 ZINC000873222382 642075073 /nfs/dbraw/zinc/07/50/73/642075073.db2.gz PPRZPJBCUSVKSC-VIFPVBQESA-N 2 0 258.818 2.879 20 0 CFADRP C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000873222225 642075485 /nfs/dbraw/zinc/07/54/85/642075485.db2.gz HOJYDMNDWGLUPY-AWEZNQCLSA-N 2 0 298.434 2.565 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000873223743 642076010 /nfs/dbraw/zinc/07/60/10/642076010.db2.gz RRCPMPJYUFFCLI-MGPQQGTHSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@H]([NH2+]Cc1coc2ccccc12)C1CC[NH2+]CC1 ZINC000873222497 642076923 /nfs/dbraw/zinc/07/69/23/642076923.db2.gz WNRREDXPSRQVHY-LBPRGKRZSA-N 2 0 258.365 2.911 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873227886 642079386 /nfs/dbraw/zinc/07/93/86/642079386.db2.gz OKPAWLKGRTUZSM-INIZCTEOSA-N 2 0 281.488 2.700 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)CC[NH2+]C1 ZINC000873226858 642080246 /nfs/dbraw/zinc/08/02/46/642080246.db2.gz CKORQATXBQJPQG-ZWKOTPCHSA-N 2 0 270.420 2.576 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000873227508 642080433 /nfs/dbraw/zinc/08/04/33/642080433.db2.gz KTMYOXJZCQDBAJ-IRXDYDNUSA-N 3 0 293.499 2.715 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873232399 642087407 /nfs/dbraw/zinc/08/74/07/642087407.db2.gz YLXUUEGPEYSYHB-QAETUUGQSA-N 2 0 256.393 2.664 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCC2(CC2)CC1 ZINC000873243343 642091989 /nfs/dbraw/zinc/09/19/89/642091989.db2.gz WYBVWXOWVAVTEQ-YESZJQIVSA-N 2 0 292.467 2.704 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC12CCOCC2 ZINC000873248361 642094927 /nfs/dbraw/zinc/09/49/27/642094927.db2.gz DPAHBTITXPCUKI-QAETUUGQSA-N 2 0 292.467 2.704 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873253117 642099153 /nfs/dbraw/zinc/09/91/53/642099153.db2.gz UAPAPIZUHAXVLY-WHOHXGKFSA-N 2 0 262.319 2.601 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000873255587 642101799 /nfs/dbraw/zinc/10/17/99/642101799.db2.gz HRRXIANJKXOZGR-FOGDFJRCSA-N 2 0 270.323 2.676 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000873255527 642101941 /nfs/dbraw/zinc/10/19/41/642101941.db2.gz HEFZKPYIAUIURH-MGPQQGTHSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CC3 ZINC000873256776 642102603 /nfs/dbraw/zinc/10/26/03/642102603.db2.gz NXSNWDFUBHCSBM-IHRRRGAJSA-N 2 0 283.419 2.661 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873256560 642102899 /nfs/dbraw/zinc/10/28/99/642102899.db2.gz PSVWOQCXODBURL-SDDRHHMPSA-N 2 0 284.350 2.984 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873258916 642103598 /nfs/dbraw/zinc/10/35/98/642103598.db2.gz VWJJSXQIBDGUOM-UMVBOHGHSA-N 2 0 262.397 2.862 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259407 642104341 /nfs/dbraw/zinc/10/43/41/642104341.db2.gz DODBAASIKJOFRL-YIYPIFLZSA-N 2 0 264.438 2.799 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259494 642104346 /nfs/dbraw/zinc/10/43/46/642104346.db2.gz FYEFVINFSRZXAX-LUYZLQTOSA-N 2 0 274.408 2.876 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259091 642104384 /nfs/dbraw/zinc/10/43/84/642104384.db2.gz ZCRDGLLLZYLKQO-MKBNYLNASA-N 2 0 274.408 2.745 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260142 642105282 /nfs/dbraw/zinc/10/52/82/642105282.db2.gz UALVZZGKTJARRQ-REBRKWNGSA-N 2 0 264.438 2.799 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873260320 642105477 /nfs/dbraw/zinc/10/54/77/642105477.db2.gz YKQBBOGAWRIKBC-LUYZLQTOSA-N 2 0 274.408 2.876 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262935 642106220 /nfs/dbraw/zinc/10/62/20/642106220.db2.gz DRMVOTQEXWMRLG-YFKTTZPYSA-N 2 0 264.335 2.838 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873262274 642106358 /nfs/dbraw/zinc/10/63/58/642106358.db2.gz WSHBODXVEOQXIJ-UGQVUOCMSA-N 2 0 259.397 2.571 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000873264382 642107885 /nfs/dbraw/zinc/10/78/85/642107885.db2.gz OQSWPFHFTAFLKI-YUDUXTHKSA-N 2 0 250.430 2.931 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265698 642108925 /nfs/dbraw/zinc/10/89/25/642108925.db2.gz WXHSXDLFVRTAHK-XFIYOXNOSA-N 2 0 250.430 2.931 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000873265985 642109318 /nfs/dbraw/zinc/10/93/18/642109318.db2.gz YIYVEBHQZWTXBH-HNKHHVNMSA-N 2 0 273.424 2.880 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873267074 642109802 /nfs/dbraw/zinc/10/98/02/642109802.db2.gz WHCQAOJTZHZAKO-NUJGCVRESA-N 2 0 289.467 2.757 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873266720 642110105 /nfs/dbraw/zinc/11/01/05/642110105.db2.gz POUAQTUEXWCOLR-MKXGPGLRSA-N 2 0 299.462 2.683 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CC2 ZINC000873267494 642110290 /nfs/dbraw/zinc/11/02/90/642110290.db2.gz DWCRMFMBAVRWPN-DYVFJYSZSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)C1CC[NH2+]CC1 ZINC000873267955 642110774 /nfs/dbraw/zinc/11/07/74/642110774.db2.gz MTUQKNCBWXIZAY-MEBBXXQBSA-N 2 0 280.362 2.930 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C[C@@H]1OC ZINC000873268299 642111227 /nfs/dbraw/zinc/11/12/27/642111227.db2.gz UKCATONWJNEHMP-YUELXQCFSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]([NH2+][C@H](c1cccnc1)C1CCC1)C1CC[NH2+]CC1 ZINC000873269533 642111658 /nfs/dbraw/zinc/11/16/58/642111658.db2.gz RFCHABWOOWUXIE-DYVFJYSZSA-N 2 0 273.424 2.901 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269448 642111940 /nfs/dbraw/zinc/11/19/40/642111940.db2.gz QACQIAZCMJCPCY-CHWSQXEVSA-N 2 0 261.413 2.683 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873270909 642112513 /nfs/dbraw/zinc/11/25/13/642112513.db2.gz CCZIMNDNRHGDFH-QWRGUYRKSA-N 2 0 296.436 2.573 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270651 642112778 /nfs/dbraw/zinc/11/27/78/642112778.db2.gz ZGHQLNXMYBKHMU-GUYCJALGSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)oc1C ZINC000873270764 642112800 /nfs/dbraw/zinc/11/28/00/642112800.db2.gz BQJOVPPUUZESLT-RYUDHWBXSA-N 2 0 250.386 2.935 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCCF)C1CC[NH2+]CC1 ZINC000873272238 642113311 /nfs/dbraw/zinc/11/33/11/642113311.db2.gz QULWZYYRKOZRNC-AEGPPILISA-N 2 0 256.409 2.883 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000873273502 642114351 /nfs/dbraw/zinc/11/43/51/642114351.db2.gz HRVGPNZYNBPBKS-XZJROXQQSA-N 2 0 294.826 2.758 20 0 CFADRP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000873273623 642114485 /nfs/dbraw/zinc/11/44/85/642114485.db2.gz JNRUKBBKEMVWOR-XVIXHAIJSA-N 2 0 288.357 2.861 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000873276045 642114948 /nfs/dbraw/zinc/11/49/48/642114948.db2.gz QKWGQKAZLVTYMZ-GRDNDAEWSA-N 2 0 275.440 2.898 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ncc(Cl)s1 ZINC000873283546 642118292 /nfs/dbraw/zinc/11/82/92/642118292.db2.gz WGLGEVHBNVCVRC-QMMMGPOBSA-N 2 0 296.827 2.809 20 0 CFADRP CC1(C)CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291046 642122991 /nfs/dbraw/zinc/12/29/91/642122991.db2.gz IRBJYLBSNJATJK-OAHLLOKOSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291606 642124001 /nfs/dbraw/zinc/12/40/01/642124001.db2.gz LKCKSPCSNJTNBG-IXDOHACOSA-N 2 0 294.483 2.950 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294580 642125964 /nfs/dbraw/zinc/12/59/64/642125964.db2.gz WWSDSACKFLSAJO-XHSDSOJGSA-N 2 0 298.446 2.653 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020072803 642294259 /nfs/dbraw/zinc/29/42/59/642294259.db2.gz BRUZRCCNKDZDJB-UHFFFAOYSA-N 2 0 293.430 2.857 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC1CCCC1 ZINC000195522479 650755899 /nfs/dbraw/zinc/75/58/99/650755899.db2.gz GSKXXTVNSIVFPI-AWEZNQCLSA-N 2 0 280.460 2.698 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCC2OCCO2)CC1 ZINC000125664906 642716757 /nfs/dbraw/zinc/71/67/57/642716757.db2.gz MIFPPFYOWNDWFV-UHFFFAOYSA-N 2 0 298.471 2.583 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000085401590 650789071 /nfs/dbraw/zinc/78/90/71/650789071.db2.gz YPCPFYMASNOJPI-WUCCLRPBSA-N 2 0 268.445 2.686 20 0 CFADRP Cc1cc(C)cc(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000876730087 642985844 /nfs/dbraw/zinc/98/58/44/642985844.db2.gz BVWAYHKISVMGLM-QGZVFWFLSA-N 2 0 260.425 2.729 20 0 CFADRP Cc1cnc(C[NH2+]CCCCCCC[NH+](C)C)o1 ZINC000876986942 643093428 /nfs/dbraw/zinc/09/34/28/643093428.db2.gz MZHOTAVPNBGMBM-UHFFFAOYSA-N 2 0 253.390 2.585 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877019091 643106045 /nfs/dbraw/zinc/10/60/45/643106045.db2.gz GJQGJHBNWMNCPI-JENIJYKNSA-N 2 0 299.462 2.648 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CC(C)C ZINC000877074047 643136321 /nfs/dbraw/zinc/13/63/21/643136321.db2.gz YIEGMAGIOBVUHA-KFWWJZLASA-N 2 0 256.434 2.510 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000877073607 643136373 /nfs/dbraw/zinc/13/63/73/643136373.db2.gz OGTUALNGBXPTSQ-BZSNNMDCSA-N 2 0 290.451 2.707 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1 ZINC000877137721 643171674 /nfs/dbraw/zinc/17/16/74/643171674.db2.gz HGGSCHLNMJJCKP-ZTFRIQLXSA-N 2 0 295.386 2.773 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CC1(C)CCCC1 ZINC000877159550 643182053 /nfs/dbraw/zinc/18/20/53/643182053.db2.gz YHWVHZPSBIMUTG-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)(C[NH2+]C[C@@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000877473322 643291563 /nfs/dbraw/zinc/29/15/63/643291563.db2.gz GQQRYZKLDBIRRD-NSHDSACASA-N 2 0 279.255 2.892 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]CC2(C)CCCC2)CCCO1 ZINC000877477429 643294721 /nfs/dbraw/zinc/29/47/21/643294721.db2.gz DKHNAJGYIVKNET-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089140193 650828385 /nfs/dbraw/zinc/82/83/85/650828385.db2.gz CJPRAPGHTUWYBS-WCQYABFASA-N 2 0 284.350 2.895 20 0 CFADRP C[N@H+](CC1(C)CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525456 643329911 /nfs/dbraw/zinc/32/99/11/643329911.db2.gz DIFIOSLVHWYYLV-QGZVFWFLSA-N 2 0 293.499 2.667 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC[NH+](C)CC1 ZINC000877539012 643341190 /nfs/dbraw/zinc/34/11/90/643341190.db2.gz ITQWMHWHNQKFHK-JTQLQIEISA-N 2 0 297.295 2.597 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC000877684088 643453375 /nfs/dbraw/zinc/45/33/75/643453375.db2.gz FYGYZIMBSXQJNX-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC(CC)([NH+](C)C)CC2)CCO1 ZINC000877691071 643457000 /nfs/dbraw/zinc/45/70/00/643457000.db2.gz ZIAFZHBSBKYUPA-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@](C)(C[NH2+]CCC1CC[NH+](C(C)C)CC1)OC ZINC000877696950 643459122 /nfs/dbraw/zinc/45/91/22/643459122.db2.gz CLVGZPXAQUSQCK-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000877698309 643460762 /nfs/dbraw/zinc/46/07/62/643460762.db2.gz XCJXGAGQFXMJGO-HIFRSBDPSA-N 2 0 270.486 2.981 20 0 CFADRP C[NH+]1CCN(C2CC[NH+](CCC(C)(C)C3CC3)CC2)CC1 ZINC000877747149 643526178 /nfs/dbraw/zinc/52/61/78/643526178.db2.gz WHGBNMSSWVQGTH-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP Cc1nocc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767843 643546535 /nfs/dbraw/zinc/54/65/35/643546535.db2.gz WZYXVRJXGPPKSE-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP Cc1nc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)[nH]c1C ZINC000877767358 643546791 /nfs/dbraw/zinc/54/67/91/643546791.db2.gz FVAHZESRNVHHDN-UHFFFAOYSA-N 2 0 292.471 2.826 20 0 CFADRP CC(C)C[N@@H+](Cc1ccn(C)c1)CC1CC[NH+](C)CC1 ZINC000877767393 643547206 /nfs/dbraw/zinc/54/72/06/643547206.db2.gz HAWGHJUIXQGNBA-UHFFFAOYSA-N 2 0 277.456 2.825 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968445 643669796 /nfs/dbraw/zinc/66/97/96/643669796.db2.gz MHUFURLKUAAYJN-SQNIBIBYSA-N 2 0 292.467 2.752 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC000877975337 643675233 /nfs/dbraw/zinc/67/52/33/643675233.db2.gz GKACUVSYZQBOMX-QGZVFWFLSA-N 2 0 284.488 2.837 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878104748 643737166 /nfs/dbraw/zinc/73/71/66/643737166.db2.gz ORMKOALAKLKVQE-ZDUSSCGKSA-N 2 0 258.475 2.792 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000878105679 643738653 /nfs/dbraw/zinc/73/86/53/643738653.db2.gz BMIAVSVFIHABJZ-XLAORIBOSA-N 2 0 294.483 2.998 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)OC1 ZINC000878123524 643748755 /nfs/dbraw/zinc/74/87/55/643748755.db2.gz AXEXZRLQHJWPTI-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(C)(C)O1 ZINC000878126189 643750109 /nfs/dbraw/zinc/75/01/09/643750109.db2.gz UDMUTZKMXWEGRG-JKSUJKDBSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@H+](C[C@H]1CC(C)(C)OC1(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000878125904 643750195 /nfs/dbraw/zinc/75/01/95/643750195.db2.gz UDNIGVGWVGBBFW-HUUCEWRRSA-N 2 0 282.472 2.854 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878133443 643754068 /nfs/dbraw/zinc/75/40/68/643754068.db2.gz JVBFBKMQNIYTBL-DLBZAZTESA-N 2 0 292.467 2.753 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878157155 643765168 /nfs/dbraw/zinc/76/51/68/643765168.db2.gz WPCCCXHBWAGJFC-SJORKVTESA-N 2 0 294.483 2.855 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878155778 643765267 /nfs/dbraw/zinc/76/52/67/643765267.db2.gz DRPVOETYZOCRDE-IRXDYDNUSA-N 2 0 292.467 2.609 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878167250 643773879 /nfs/dbraw/zinc/77/38/79/643773879.db2.gz QYEGLBJWDJWOFK-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(C)(C)OC3(C)C)CC[C@H]21 ZINC000878196427 643788193 /nfs/dbraw/zinc/78/81/93/643788193.db2.gz AQENJTLVZWIGOM-OWCLPIDISA-N 2 0 294.483 2.996 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000878196462 643788208 /nfs/dbraw/zinc/78/82/08/643788208.db2.gz BUPCUAKCNGQREW-OAGGEKHMSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878513184 643922478 /nfs/dbraw/zinc/92/24/78/643922478.db2.gz XIFRUENGJUQWHX-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878651594 643974743 /nfs/dbraw/zinc/97/47/43/643974743.db2.gz FEDKEPXUMMWXRI-NVXWUHKLSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000878864371 644053641 /nfs/dbraw/zinc/05/36/41/644053641.db2.gz ZKNKZZSHJOUYKP-LBPRGKRZSA-N 2 0 291.266 2.988 20 0 CFADRP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)n1 ZINC000878863646 644054902 /nfs/dbraw/zinc/05/49/02/644054902.db2.gz ARGXVUQYWAKKGP-UHFFFAOYSA-N 2 0 293.842 2.961 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)CC(C)(C)C ZINC000878994323 644103106 /nfs/dbraw/zinc/10/31/06/644103106.db2.gz WSISVGFRZQFYPB-ZBFHGGJFSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)cn1 ZINC000879250800 644194638 /nfs/dbraw/zinc/19/46/38/644194638.db2.gz IQXRRXIEUHZGFM-HNNXBMFYSA-N 2 0 288.439 2.654 20 0 CFADRP CC(C)OCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248520 644195056 /nfs/dbraw/zinc/19/50/56/644195056.db2.gz UWSREJHQDSMJLL-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CCCC[C@@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248698 644195162 /nfs/dbraw/zinc/19/51/62/644195162.db2.gz YCCLJJMVRKCIPN-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP C[NH+]1CCC2(CCN(CCC[NH+]3CCCCC3)CC2)CC1 ZINC000879250006 644195199 /nfs/dbraw/zinc/19/51/99/644195199.db2.gz JOZZUNQRKVRJIC-UHFFFAOYSA-N 2 0 293.499 2.670 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091541799 650902942 /nfs/dbraw/zinc/90/29/42/650902942.db2.gz AUEQMNBRKJKCOF-UPJWGTAASA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCCO1 ZINC000879405746 644257317 /nfs/dbraw/zinc/25/73/17/644257317.db2.gz HGALIQWTMSMCDZ-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)C[N@H+](CCOC(C)C)CC1CC[NH+](C)CC1 ZINC000879702704 644388276 /nfs/dbraw/zinc/38/82/76/644388276.db2.gz VXKYOWYJMQMQBU-UHFFFAOYSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)C[N@H+](CCOC(F)F)CC1CC[NH+](C)CC1 ZINC000879703295 644389199 /nfs/dbraw/zinc/38/91/99/644389199.db2.gz HNESFFHCMUAOPN-UHFFFAOYSA-N 2 0 278.387 2.525 20 0 CFADRP CC(C)C[N@H+](CCCn1ccnc1)CC1CC[NH+](C)CC1 ZINC000879704140 644389435 /nfs/dbraw/zinc/38/94/35/644389435.db2.gz MAERCHFPYVWLLR-UHFFFAOYSA-N 2 0 292.471 2.573 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CCCCCCO)CC1 ZINC000879948619 644469172 /nfs/dbraw/zinc/46/91/72/644469172.db2.gz IAAUATAWKMUYJO-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP CC(C)(C)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952524 644472445 /nfs/dbraw/zinc/47/24/45/644472445.db2.gz WEYVHORWHTXRJH-HNNXBMFYSA-N 2 0 282.472 2.734 20 0 CFADRP Cc1csc([C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000880009031 644498553 /nfs/dbraw/zinc/49/85/53/644498553.db2.gz ITPMPWDFMAYVDM-UONOGXRCSA-N 2 0 279.453 2.725 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cccs3)CC[C@H]21 ZINC000248179169 650926076 /nfs/dbraw/zinc/92/60/76/650926076.db2.gz WCOVJSFIXRZRTM-DZGCQCFKSA-N 2 0 264.438 2.707 20 0 CFADRP C=C/C=C/CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259440 644616889 /nfs/dbraw/zinc/61/68/89/644616889.db2.gz SXHNZCOFDIIGAN-RGDDUWESSA-N 2 0 257.381 2.724 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491341 650941024 /nfs/dbraw/zinc/94/10/24/650941024.db2.gz GRQKINUQZRFYSD-VVLHAWIVSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccs2)CCN1c1cc[nH+]cc1 ZINC000880259022 644617402 /nfs/dbraw/zinc/61/74/02/644617402.db2.gz GPOLCKLNONURJM-CYBMUJFWSA-N 2 0 273.405 2.854 20 0 CFADRP C[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCN1c1cc[nH+]cc1 ZINC000880262581 644618853 /nfs/dbraw/zinc/61/88/53/644618853.db2.gz PQQFVSFEKLCSJF-GJZGRUSLSA-N 2 0 257.381 2.701 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@@H]1COC(C)(C)O1 ZINC000880517177 644748299 /nfs/dbraw/zinc/74/82/99/644748299.db2.gz KVMAVZDRVJPCQR-MRXNPFEDSA-N 2 0 298.471 2.726 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249041583 650952564 /nfs/dbraw/zinc/95/25/64/650952564.db2.gz UYSCTMXBXBXZEG-BZUAXINKSA-N 2 0 266.429 2.637 20 0 CFADRP CCCCCC[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128647522 644847303 /nfs/dbraw/zinc/84/73/03/644847303.db2.gz VNAHFEJHLKAZOG-KRWDZBQOSA-N 2 0 283.504 2.963 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000251117097 650984020 /nfs/dbraw/zinc/98/40/20/650984020.db2.gz QEJFLOPCFCTTLO-VSZNYVQBSA-N 2 0 293.499 2.761 20 0 CFADRP CC1CCN(C(=[NH2+])NCCCCCCC[NH+](C)C)CC1 ZINC000303253131 650991307 /nfs/dbraw/zinc/99/13/07/650991307.db2.gz CHTPRRHWEPPMEZ-UHFFFAOYSA-N 2 0 282.476 2.755 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416235 651003315 /nfs/dbraw/zinc/00/33/15/651003315.db2.gz NMDGUUSXCSVFJT-FUHWJXTLSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1cc(N2CC[NH+](CCCOC(C)(C)C)CC2)cc[nH+]1 ZINC000882930656 645516320 /nfs/dbraw/zinc/51/63/20/645516320.db2.gz NUAXCOCYRYCKMM-UHFFFAOYSA-N 2 0 291.439 2.717 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883014671 645563607 /nfs/dbraw/zinc/56/36/07/645563607.db2.gz XPZOKIXPTLXJQP-DFGXFYAUSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883028760 645570292 /nfs/dbraw/zinc/57/02/92/645570292.db2.gz UEIQENHCSLJALN-DLBZAZTESA-N 2 0 288.435 2.722 20 0 CFADRP Nc1cnccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000883031359 645572782 /nfs/dbraw/zinc/57/27/82/645572782.db2.gz TVYFUNXDZJICQJ-UHFFFAOYSA-N 2 0 288.439 2.551 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)CC[C@@H]2C)CC1 ZINC000883172277 645640071 /nfs/dbraw/zinc/64/00/71/645640071.db2.gz CCQBOYRJAHVROJ-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883184414 645646522 /nfs/dbraw/zinc/64/65/22/645646522.db2.gz WMHBJWFXDAHOLC-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883188912 645651814 /nfs/dbraw/zinc/65/18/14/645651814.db2.gz SVJAYUHQWNIACY-OAHLLOKOSA-N 2 0 288.435 2.581 20 0 CFADRP C=C/C=C\CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000883260664 645705835 /nfs/dbraw/zinc/70/58/35/645705835.db2.gz BMGWPSZNCJBGEU-WAYWQWQTSA-N 2 0 274.408 2.849 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC000883273666 645715160 /nfs/dbraw/zinc/71/51/60/645715160.db2.gz QDKDCYUZULTIOQ-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC000883273667 645715316 /nfs/dbraw/zinc/71/53/16/645715316.db2.gz QDKDCYUZULTIOQ-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000131386468 645717231 /nfs/dbraw/zinc/71/72/31/645717231.db2.gz PULSDFCIONYHMR-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](C)C1 ZINC000883322434 645740123 /nfs/dbraw/zinc/74/01/23/645740123.db2.gz FZDNHQOOWZIILV-UVPYHEFZSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C[C@H]1C[NH3+] ZINC000253195187 651040081 /nfs/dbraw/zinc/04/00/81/651040081.db2.gz REWMDOCPPHVWHP-IUODEOHRSA-N 2 0 287.382 2.791 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000131574402 645754870 /nfs/dbraw/zinc/75/48/70/645754870.db2.gz SGUJIMFSYQAZRR-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)[C@@H]2CCC[C@H]21 ZINC000883357900 645763961 /nfs/dbraw/zinc/76/39/61/645763961.db2.gz XGTZIWWUELQDEC-YHUYYLMFSA-N 2 0 278.440 2.551 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883416604 645808502 /nfs/dbraw/zinc/80/85/02/645808502.db2.gz ZJWSGBRQEUORIU-IAGOWNOFSA-N 2 0 274.408 2.577 20 0 CFADRP [NH3+]C1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883415450 645809683 /nfs/dbraw/zinc/80/96/83/645809683.db2.gz WBQRDMJNIPEFDV-DLBZAZTESA-N 2 0 274.408 2.720 20 0 CFADRP C[N@H+](C[C@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)C[NH3+] ZINC000883417649 645811516 /nfs/dbraw/zinc/81/15/16/645811516.db2.gz INYXFQLUUKDKHN-HZPDHXFCSA-N 2 0 276.424 2.823 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)C[NH3+] ZINC000883417650 645811557 /nfs/dbraw/zinc/81/15/57/645811557.db2.gz INYXFQLUUKDKHN-JKSUJKDBSA-N 2 0 276.424 2.823 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883418354 645812741 /nfs/dbraw/zinc/81/27/41/645812741.db2.gz FVHWIJLORHWVCF-IKGGRYGDSA-N 2 0 276.424 2.870 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883427551 645821152 /nfs/dbraw/zinc/82/11/52/645821152.db2.gz VIKMMLISFOIMQB-UBDQQSCGSA-N 2 0 288.435 2.966 20 0 CFADRP CN(C[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@H](C[NH3+])C1CC1 ZINC000883428311 645821874 /nfs/dbraw/zinc/82/18/74/645821874.db2.gz QSTCIVPLQQHSSI-KSZLIROESA-N 2 0 288.435 2.966 20 0 CFADRP CC1(C)C[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C(C)(C)O1 ZINC000883428419 645822146 /nfs/dbraw/zinc/82/21/46/645822146.db2.gz TXKBVCWGTYMMCU-HOTGVXAUSA-N 2 0 294.483 2.902 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429586 645823886 /nfs/dbraw/zinc/82/38/86/645823886.db2.gz ZOJDAJWULFRHSL-IXDOHACOSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883434965 645827583 /nfs/dbraw/zinc/82/75/83/645827583.db2.gz GKXBUQPUCFSGMI-SIXLDLHFSA-N 2 0 274.408 2.718 20 0 CFADRP CC1(C)CCC[C@H](CN2CC3CCC2(C[NH3+])CC3)O1 ZINC000883435150 645828972 /nfs/dbraw/zinc/82/89/72/645828972.db2.gz LMMCKZVQGQKUMP-NPCAHTBFSA-N 2 0 266.429 2.537 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000883435270 645829467 /nfs/dbraw/zinc/82/94/67/645829467.db2.gz NRSPRUWQGNMDGT-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@H]([NH3+])CN(C)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883438368 645832329 /nfs/dbraw/zinc/83/23/29/645832329.db2.gz QYRWTMVXVRJQBG-NUEKZKHPSA-N 2 0 262.397 2.576 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000883439554 645833596 /nfs/dbraw/zinc/83/35/96/645833596.db2.gz UTFFOCRTLXSICV-HOCLYGCPSA-N 2 0 280.456 2.785 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1ccccc1Br ZINC000883441674 645834483 /nfs/dbraw/zinc/83/44/83/645834483.db2.gz VDEUHLNWHXUFIW-STQMWFEESA-N 2 0 297.240 2.707 20 0 CFADRP Fc1cc2c(cc1F)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000883461453 645843528 /nfs/dbraw/zinc/84/35/28/645843528.db2.gz VFHLKPBWGCWGEV-GFCCVEGCSA-N 2 0 280.362 2.713 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000883464033 645846229 /nfs/dbraw/zinc/84/62/29/645846229.db2.gz CTMZFRNIZKOHBH-WFASDCNBSA-N 2 0 259.397 2.521 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000883464487 645846586 /nfs/dbraw/zinc/84/65/86/645846586.db2.gz OGNRUHVELQVFDK-BBRMVZONSA-N 2 0 273.424 2.911 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCS2 ZINC000132075170 645873605 /nfs/dbraw/zinc/87/36/05/645873605.db2.gz QFDLOTSPPBJEIY-FZMZJTMJSA-N 2 0 280.412 2.952 20 0 CFADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000884221188 646265119 /nfs/dbraw/zinc/26/51/19/646265119.db2.gz LYKMIHZABZCCCX-INIZCTEOSA-N 2 0 291.439 2.629 20 0 CFADRP C[NH+]1CCC(C[NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885968845 646789089 /nfs/dbraw/zinc/78/90/89/646789089.db2.gz BHFKKFHKQQQVGB-HWKANZROSA-N 2 0 262.372 2.770 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885969489 646789248 /nfs/dbraw/zinc/78/92/48/646789248.db2.gz TWERMUJKKWSZEY-UHFFFAOYSA-N 2 0 298.377 2.762 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885975310 646791679 /nfs/dbraw/zinc/79/16/79/646791679.db2.gz PPWGNZAYQIJJCB-VFQAQYNWSA-N 2 0 262.372 2.770 20 0 CFADRP C[N@H+](CCSC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000886019493 646821940 /nfs/dbraw/zinc/82/19/40/646821940.db2.gz VYDXXPZYNZCMRR-JTQLQIEISA-N 2 0 270.364 2.513 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886030626 646829762 /nfs/dbraw/zinc/82/97/62/646829762.db2.gz PUJXFLFJENNBDW-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886030627 646830204 /nfs/dbraw/zinc/83/02/04/646830204.db2.gz PUJXFLFJENNBDW-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886032527 646831045 /nfs/dbraw/zinc/83/10/45/646831045.db2.gz IGMOCZQCZUJISK-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886043372 646838749 /nfs/dbraw/zinc/83/87/49/646838749.db2.gz AZAURNLTNKWYCO-NCOADZHNSA-N 2 0 262.441 2.839 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)CO2)[C@H](C)C1 ZINC000886070772 646853316 /nfs/dbraw/zinc/85/33/16/646853316.db2.gz XGTOKGRWDQHHMG-ZACQAIPSSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1coc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000886160618 646901637 /nfs/dbraw/zinc/90/16/37/646901637.db2.gz YMADCOHYHLPMMV-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886218315 646925574 /nfs/dbraw/zinc/92/55/74/646925574.db2.gz SGTFHHOEGWSTEN-IXDOHACOSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000886281354 646950839 /nfs/dbraw/zinc/95/08/39/646950839.db2.gz WUIKLWVYLZGDMA-NIFZNCRKSA-N 2 0 250.430 2.741 20 0 CFADRP CC(C)C[N@H+](C[C@H]1C[C@]12CCOC2)CC1CC[NH+](C)CC1 ZINC000886310060 646962580 /nfs/dbraw/zinc/96/25/80/646962580.db2.gz COOHQYGXYUDIPN-MSOLQXFVSA-N 2 0 294.483 2.713 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000886489392 647016820 /nfs/dbraw/zinc/01/68/20/647016820.db2.gz HPVMKUUHTBTYEV-HWOWSKLDSA-N 2 0 266.429 2.552 20 0 CFADRP CSCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886489887 647017419 /nfs/dbraw/zinc/01/74/19/647017419.db2.gz UGNCUDPLYJXIJP-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCN2CCCCC2)CC1 ZINC000886499058 647020466 /nfs/dbraw/zinc/02/04/66/647020466.db2.gz ZCNWCVDANZVHGJ-UHFFFAOYSA-N 2 0 293.499 2.859 20 0 CFADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000886503847 647021942 /nfs/dbraw/zinc/02/19/42/647021942.db2.gz HTYQDXXGZXKXDY-BZUAXINKSA-N 2 0 296.455 2.572 20 0 CFADRP CCC[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886527023 647030114 /nfs/dbraw/zinc/03/01/14/647030114.db2.gz XEDKYHRCQNVYDD-HWOWSKLDSA-N 2 0 268.445 2.534 20 0 CFADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000886526323 647030282 /nfs/dbraw/zinc/03/02/82/647030282.db2.gz KFHGBGLWPNZXNL-HZPDHXFCSA-N 2 0 296.455 2.574 20 0 CFADRP COC(C)(C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886541058 647037560 /nfs/dbraw/zinc/03/75/60/647037560.db2.gz PTDFBTCSPOMFCQ-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000886561812 647047847 /nfs/dbraw/zinc/04/78/47/647047847.db2.gz JUUYLHXSDJWNTP-GTPINHCMSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC1)c1cccc(C[NH+](C)C)c1 ZINC000925482792 647054006 /nfs/dbraw/zinc/05/40/06/647054006.db2.gz XJVCNMKGSZXFPX-WFASDCNBSA-N 2 0 264.438 2.904 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(C[NH+](C)C)c1 ZINC000925482789 647055638 /nfs/dbraw/zinc/05/56/38/647055638.db2.gz XJVCNMKGSZXFPX-IUODEOHRSA-N 2 0 264.438 2.904 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000886594803 647059244 /nfs/dbraw/zinc/05/92/44/647059244.db2.gz UNXMKQBMKVGVMP-ZLZJIPBDSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)(O)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594345 647059516 /nfs/dbraw/zinc/05/95/16/647059516.db2.gz KYTFJRYDDSGOGT-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886596471 647060428 /nfs/dbraw/zinc/06/04/28/647060428.db2.gz FXHGFGAEJQGEBT-QRNKSROTSA-N 2 0 268.445 2.797 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2=CCOCC2)CC1 ZINC000886617476 647070877 /nfs/dbraw/zinc/07/08/77/647070877.db2.gz PHTVLPUUAHNHRG-UHFFFAOYSA-N 2 0 278.440 2.720 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000886622540 647073028 /nfs/dbraw/zinc/07/30/28/647073028.db2.gz WMCJOGQRPZBTQZ-CGZBRXJRSA-N 2 0 280.456 2.534 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000886626810 647075077 /nfs/dbraw/zinc/07/50/77/647075077.db2.gz LLLGKZMZBCVFRP-NALMEZQBSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000886631273 647078042 /nfs/dbraw/zinc/07/80/42/647078042.db2.gz ISZBHXBTGNPNPC-JWMHWRSXSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000886631272 647078454 /nfs/dbraw/zinc/07/84/54/647078454.db2.gz ISZBHXBTGNPNPC-CIDNJEQPSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886638242 647081487 /nfs/dbraw/zinc/08/14/87/647081487.db2.gz OXMOODNRMYCQQI-KZYLPZIUSA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000886638526 647082353 /nfs/dbraw/zinc/08/23/53/647082353.db2.gz WMWFLMQHHWZUHO-GMRIPVOYSA-N 2 0 292.467 2.677 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1nccn1C ZINC000886639355 647082492 /nfs/dbraw/zinc/08/24/92/647082492.db2.gz BGTFBPHLLIABLZ-UQPPLGOBSA-N 2 0 290.455 2.868 20 0 CFADRP COC[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886651595 647090254 /nfs/dbraw/zinc/09/02/54/647090254.db2.gz KZSLFRYNHNCTKB-IFFWXDDJSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000886694636 647115086 /nfs/dbraw/zinc/11/50/86/647115086.db2.gz ZZTVVTDQIWVLEG-CWOLKXNVSA-N 2 0 262.441 2.741 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000886693718 647115394 /nfs/dbraw/zinc/11/53/94/647115394.db2.gz GZQZHGZQNXQNTP-AYCBFJCHSA-N 2 0 250.430 2.598 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000886715907 647120245 /nfs/dbraw/zinc/12/02/45/647120245.db2.gz INHUIDJQARTWET-KRWDZBQOSA-N 2 0 294.483 2.878 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000886840187 647159238 /nfs/dbraw/zinc/15/92/38/647159238.db2.gz VKWJIDGJTORPJO-QWRGUYRKSA-N 2 0 282.375 2.561 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886841660 647160295 /nfs/dbraw/zinc/16/02/95/647160295.db2.gz ROQVOMKTYCVEFG-INMHGKMJSA-N 2 0 280.456 2.641 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886841307 647160661 /nfs/dbraw/zinc/16/06/61/647160661.db2.gz HTUFERXIRYKFQS-ZBRFXRBCSA-N 2 0 292.467 2.783 20 0 CFADRP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000886843341 647160717 /nfs/dbraw/zinc/16/07/17/647160717.db2.gz WAQWSFAQNKNFLX-DOTOQJQBSA-N 2 0 276.399 2.832 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886865120 647164057 /nfs/dbraw/zinc/16/40/57/647164057.db2.gz ANSNFGYOFDDWOW-KRWDZBQOSA-N 2 0 292.398 2.670 20 0 CFADRP c1ccc(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886865511 647164516 /nfs/dbraw/zinc/16/45/16/647164516.db2.gz MPFHRVWOOFAKAT-KRWDZBQOSA-N 2 0 258.409 2.695 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000886874170 647165527 /nfs/dbraw/zinc/16/55/27/647165527.db2.gz HZGGOPDBDGHHFU-MSOLQXFVSA-N 2 0 288.435 2.840 20 0 CFADRP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(C)c(C)c1 ZINC000886880769 647166642 /nfs/dbraw/zinc/16/66/42/647166642.db2.gz CDJLPUOPXFSMLA-KRWDZBQOSA-N 2 0 290.451 2.751 20 0 CFADRP c1ccc(COCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886874793 647166650 /nfs/dbraw/zinc/16/66/50/647166650.db2.gz WXIZDYUYRPGQJB-GOSISDBHSA-N 2 0 288.435 2.669 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876139 647166666 /nfs/dbraw/zinc/16/66/66/647166666.db2.gz MMWNESDIFBALAB-WMZOPIPTSA-N 2 0 292.467 2.801 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1cccs1 ZINC000887132455 647222780 /nfs/dbraw/zinc/22/27/80/647222780.db2.gz GDPQPTOQOUWSGN-CQSZACIVSA-N 2 0 287.432 2.896 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000221988754 647239724 /nfs/dbraw/zinc/23/97/24/647239724.db2.gz WCOHONBXRAQYFC-DZGCQCFKSA-N 2 0 276.399 2.831 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222975384 647334548 /nfs/dbraw/zinc/33/45/48/647334548.db2.gz IAZRBPPIESDGKG-ZNMIVQPWSA-N 2 0 262.397 2.622 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925495104 647849431 /nfs/dbraw/zinc/84/94/31/647849431.db2.gz MZOQADBZOCSPRI-KGLIPLIRSA-N 2 0 292.423 2.699 20 0 CFADRP Cc1ncsc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925497911 647853007 /nfs/dbraw/zinc/85/30/07/647853007.db2.gz ACZBOASJSPGTRY-KBPBESRZSA-N 2 0 279.453 2.709 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925495235 647853381 /nfs/dbraw/zinc/85/33/81/647853381.db2.gz QBLTVCCKWJLSLZ-ARFHVFGLSA-N 2 0 276.424 2.870 20 0 CFADRP FC(F)(F)SCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000127895355 647864887 /nfs/dbraw/zinc/86/48/87/647864887.db2.gz XZOSCIYAXQUMOP-LLVKDONJSA-N 2 0 282.375 2.703 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000127896562 647864812 /nfs/dbraw/zinc/86/48/12/647864812.db2.gz WVRBHKNJTFJEML-UHFFFAOYSA-N 2 0 270.364 2.561 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCCCn1ccnc1)c1ccccc1 ZINC000925496008 647869518 /nfs/dbraw/zinc/86/95/18/647869518.db2.gz TVZUJLRSTUAEMA-KRWDZBQOSA-N 2 0 286.423 2.733 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925498993 647871969 /nfs/dbraw/zinc/87/19/69/647871969.db2.gz LGIFHVOHCDUIDB-HZPDHXFCSA-N 2 0 274.408 2.623 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925496805 647887801 /nfs/dbraw/zinc/88/78/01/647887801.db2.gz WILFRTLEZBPMET-SJORKVTESA-N 2 0 285.435 2.515 20 0 CFADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccnnc1 ZINC000924528307 647988377 /nfs/dbraw/zinc/98/83/77/647988377.db2.gz FUVLMBIJWNUWHA-OAHLLOKOSA-N 2 0 296.418 2.792 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924604338 648006204 /nfs/dbraw/zinc/00/62/04/648006204.db2.gz RDATZOALEBYSED-ROUUACIJSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C(C)(C)CO ZINC000924608051 648006454 /nfs/dbraw/zinc/00/64/54/648006454.db2.gz VQCZWRGFFYHGJC-HNNXBMFYSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924609799 648006860 /nfs/dbraw/zinc/00/68/60/648006860.db2.gz XCPOFMICUIEKML-ZIAGYGMSSA-N 2 0 276.424 2.509 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C1(Br)CC1 ZINC000924616214 648008505 /nfs/dbraw/zinc/00/85/05/648008505.db2.gz AFHOYGZPIDXGOM-LLVKDONJSA-N 2 0 277.250 2.622 20 0 CFADRP CC(C)CC[NH+]1CCC(NCC[NH+]2CCCCC2)CC1 ZINC000924622432 648010307 /nfs/dbraw/zinc/01/03/07/648010307.db2.gz FGFMTYBVIHLKRC-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924661567 648021771 /nfs/dbraw/zinc/02/17/71/648021771.db2.gz NPRUQQOGBRYEIO-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000924680096 648025365 /nfs/dbraw/zinc/02/53/65/648025365.db2.gz AVYNDHFZKFLWEE-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000924680099 648025900 /nfs/dbraw/zinc/02/59/00/648025900.db2.gz AVYNDHFZKFLWEE-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)on1 ZINC000924684769 648026419 /nfs/dbraw/zinc/02/64/19/648026419.db2.gz FSOWWYAOGCEBOK-ZIAGYGMSSA-N 2 0 295.427 2.988 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924704444 648031373 /nfs/dbraw/zinc/03/13/73/648031373.db2.gz DSAMGBXMKFJFKB-CABCVRRESA-N 2 0 290.451 2.906 20 0 CFADRP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924716650 648034760 /nfs/dbraw/zinc/03/47/60/648034760.db2.gz JCBHCAJEQBQSCH-KBXCAEBGSA-N 2 0 289.467 2.739 20 0 CFADRP C[C@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1ncco1 ZINC000924728377 648037321 /nfs/dbraw/zinc/03/73/21/648037321.db2.gz FJXKFOABEQHVGL-RYUDHWBXSA-N 2 0 262.357 2.637 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000924754009 648041566 /nfs/dbraw/zinc/04/15/66/648041566.db2.gz RRQCEKNGCAOVSE-IXDOHACOSA-N 2 0 282.472 2.639 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924751990 648041711 /nfs/dbraw/zinc/04/17/11/648041711.db2.gz MBJFBZCZWRFRQG-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000924869718 648063300 /nfs/dbraw/zinc/06/33/00/648063300.db2.gz PCJQNCMGKIXUFW-CJNGLKHVSA-N 2 0 294.464 2.585 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924889625 648066941 /nfs/dbraw/zinc/06/69/41/648066941.db2.gz DNWBBNKIIQZYGX-KBPBESRZSA-N 2 0 264.413 2.824 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2c(C)noc2C)CC1 ZINC000924955307 648078622 /nfs/dbraw/zinc/07/86/22/648078622.db2.gz ONEYUVMWSODDBI-LLVKDONJSA-N 2 0 265.401 2.674 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924956171 648078879 /nfs/dbraw/zinc/07/88/79/648078879.db2.gz UKSBSCQMEMCDNW-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccns2)CC1 ZINC000924955215 648079050 /nfs/dbraw/zinc/07/90/50/648079050.db2.gz NNHBOUXEUURWJH-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccns2)CC1 ZINC000924956185 648079137 /nfs/dbraw/zinc/07/91/37/648079137.db2.gz UXTYYMHTWGWCNU-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959307 648079730 /nfs/dbraw/zinc/07/97/30/648079730.db2.gz JXOJCWNPZKSAAL-YESZJQIVSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCN(C)C1CCCC1 ZINC000924971042 648083344 /nfs/dbraw/zinc/08/33/44/648083344.db2.gz WBEVQNBWJPTAAF-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924989246 648084947 /nfs/dbraw/zinc/08/49/47/648084947.db2.gz DDJUOPQWVJHHSV-HOTGVXAUSA-N 2 0 283.504 2.529 20 0 CFADRP CCC(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924991719 648085090 /nfs/dbraw/zinc/08/50/90/648085090.db2.gz DPBWCNJANOXEBI-MQVJKMGUSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](C3CC3)C(C)(C)C)C2)CC1 ZINC000925039160 648092757 /nfs/dbraw/zinc/09/27/57/648092757.db2.gz BBEBLAMEGHUXKD-RDJZCZTQSA-N 2 0 293.499 2.569 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@H]2C(C)C)CC1 ZINC000925149519 648117755 /nfs/dbraw/zinc/11/77/55/648117755.db2.gz AUWDBNRXIJDXQL-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925175089 648123002 /nfs/dbraw/zinc/12/30/02/648123002.db2.gz DJYYLFXINFLXNK-HOTGVXAUSA-N 2 0 289.467 2.883 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000925222389 648134945 /nfs/dbraw/zinc/13/49/45/648134945.db2.gz SKSKZRFYTJWTGS-ARFHVFGLSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000925232317 648138803 /nfs/dbraw/zinc/13/88/03/648138803.db2.gz ITVPZDVDSWODHJ-HNNXBMFYSA-N 2 0 290.455 2.885 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000925242659 648140356 /nfs/dbraw/zinc/14/03/56/648140356.db2.gz HJVXMMRRYBAEPW-RDJZCZTQSA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)CC[NH+]1CCC(NC2CC[NH+](C(C)C)CC2)CC1 ZINC000925304342 648153273 /nfs/dbraw/zinc/15/32/73/648153273.db2.gz SUOVTBXZUIHEFE-UHFFFAOYSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2)CO1 ZINC000925307075 648153675 /nfs/dbraw/zinc/15/36/75/648153675.db2.gz KXQJNYUMIDQQPT-BZOOQXSSSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925308411 648155120 /nfs/dbraw/zinc/15/51/20/648155120.db2.gz PXDNHTUTBCQAFF-GJZGRUSLSA-N 2 0 286.423 2.684 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925482753 648180066 /nfs/dbraw/zinc/18/00/66/648180066.db2.gz UJCLDQOGCAGDQS-HUUCEWRRSA-N 2 0 281.488 2.747 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000925483249 648180319 /nfs/dbraw/zinc/18/03/19/648180319.db2.gz XVAPRKYOIHHGSX-JKSUJKDBSA-N 2 0 262.397 2.625 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925482626 648180490 /nfs/dbraw/zinc/18/04/90/648180490.db2.gz WKURWPYNNWITRS-JKSUJKDBSA-N 2 0 274.408 2.833 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925488230 648182239 /nfs/dbraw/zinc/18/22/39/648182239.db2.gz IOGMJTDBSVCQPK-ZWKOPEQDSA-N 2 0 265.401 2.848 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493626 648182905 /nfs/dbraw/zinc/18/29/05/648182905.db2.gz LWIMKORANXNSRL-CVEARBPZSA-N 3 0 281.488 2.604 20 0 CFADRP CC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000925492806 648183050 /nfs/dbraw/zinc/18/30/50/648183050.db2.gz NJJQIKFJXBOWAV-QMEMDYBXSA-N 2 0 270.420 2.766 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925497681 648184355 /nfs/dbraw/zinc/18/43/55/648184355.db2.gz YITZREQNSVWCKY-BZUAXINKSA-N 2 0 279.472 2.501 20 0 CFADRP CC(C)c1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925499242 648185618 /nfs/dbraw/zinc/18/56/18/648185618.db2.gz NNMUSKSMLGMYDS-NWDGAFQWSA-N 2 0 265.401 2.794 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000925506996 648189644 /nfs/dbraw/zinc/18/96/44/648189644.db2.gz XCZKWOXMTVNQAW-HNNXBMFYSA-N 2 0 275.371 2.580 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCn2cnc3ccccc32)C1 ZINC000925508828 648190537 /nfs/dbraw/zinc/19/05/37/648190537.db2.gz SIJMBJKWRWSBQE-KBPBESRZSA-N 2 0 286.423 2.532 20 0 CFADRP COCc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1F ZINC000925509280 648190646 /nfs/dbraw/zinc/19/06/46/648190646.db2.gz MUZNXKKPVNRRTH-LSDHHAIUSA-N 2 0 294.414 2.968 20 0 CFADRP C(COC1CCCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925508988 648190722 /nfs/dbraw/zinc/19/07/22/648190722.db2.gz KXDHWEBHMSUQHB-IAGOWNOFSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)C12CCC2 ZINC000925513587 648192970 /nfs/dbraw/zinc/19/29/70/648192970.db2.gz KHTUXGPPIAZFSY-LSDHHAIUSA-N 2 0 294.439 2.918 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925520641 648197558 /nfs/dbraw/zinc/19/75/58/648197558.db2.gz MJDQYCUYJDJPLK-CVEARBPZSA-N 2 0 288.435 2.832 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925524688 648199062 /nfs/dbraw/zinc/19/90/62/648199062.db2.gz YICQBBTWPFNHKE-XQQFMLRXSA-N 2 0 254.443 2.535 20 0 CFADRP CCc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)on1 ZINC000925524248 648199333 /nfs/dbraw/zinc/19/93/33/648199333.db2.gz ZGRRKAIIQJRTCO-MRXNPFEDSA-N 2 0 273.380 2.807 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925524858 648199599 /nfs/dbraw/zinc/19/95/99/648199599.db2.gz AZPDTBDNMMELHD-BEFAXECRSA-N 2 0 297.446 2.926 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925524689 648199644 /nfs/dbraw/zinc/19/96/44/648199644.db2.gz YICQBBTWPFNHKE-YNEHKIRRSA-N 2 0 254.443 2.535 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(C)(C)C ZINC000925525944 648200582 /nfs/dbraw/zinc/20/05/82/648200582.db2.gz GPYSOEOSTREBNC-BZUAXINKSA-N 2 0 282.472 2.805 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925529098 648201195 /nfs/dbraw/zinc/20/11/95/648201195.db2.gz YUOBIEVOKKHWDT-JHJVBQTASA-N 2 0 256.434 2.543 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925528916 648201306 /nfs/dbraw/zinc/20/13/06/648201306.db2.gz BOWSIFGYXPEOHM-YNEHKIRRSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(-n2cccn2)cc1 ZINC000925527736 648201750 /nfs/dbraw/zinc/20/17/50/648201750.db2.gz QEUAYOPUZBFUKD-RRQGHBQHSA-N 2 0 296.418 2.793 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925531360 648203227 /nfs/dbraw/zinc/20/32/27/648203227.db2.gz YOWJWPFYOFFCFO-JKSUJKDBSA-N 2 0 280.456 2.846 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000925531879 648203252 /nfs/dbraw/zinc/20/32/52/648203252.db2.gz BYRJELCDHLISPL-JKSUJKDBSA-N 2 0 298.434 2.868 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1nccs1)c1ccccc1 ZINC000925534800 648204738 /nfs/dbraw/zinc/20/47/38/648204738.db2.gz PPTFEFITMNAMCP-AWEZNQCLSA-N 2 0 275.421 2.755 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000925536943 648205608 /nfs/dbraw/zinc/20/56/08/648205608.db2.gz TXYZCQKNAYLUKI-VWYCJHECSA-N 2 0 264.335 2.838 20 0 CFADRP C1CCC([NH+]2CCC(N[C@@H]3CC[NH2+]C34CCCC4)CC2)C1 ZINC000925535482 648205746 /nfs/dbraw/zinc/20/57/46/648205746.db2.gz XWQDBOSRHHGHRR-QGZVFWFLSA-N 2 0 291.483 2.658 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccncc1 ZINC000925540566 648207896 /nfs/dbraw/zinc/20/78/96/648207896.db2.gz CVXCTGCFNQUMHJ-UKMLZYKCSA-N 2 0 273.424 2.551 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccncc1 ZINC000925540563 648208154 /nfs/dbraw/zinc/20/81/54/648208154.db2.gz CVXCTGCFNQUMHJ-OJLVUWQFSA-N 2 0 273.424 2.551 20 0 CFADRP CCc1noc(CC)c1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925540811 648208412 /nfs/dbraw/zinc/20/84/12/648208412.db2.gz RBTJWSCLKXLDSE-RYUDHWBXSA-N 2 0 279.428 2.795 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925543481 648209148 /nfs/dbraw/zinc/20/91/48/648209148.db2.gz UGWPQNCFBLTCIQ-XAWIXRBMSA-N 2 0 294.483 2.950 20 0 CFADRP COC1CCC(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925543805 648209294 /nfs/dbraw/zinc/20/92/94/648209294.db2.gz WMSYMGSAKWUDCR-NCOXYXGASA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000925544613 648210777 /nfs/dbraw/zinc/21/07/77/648210777.db2.gz BUIUEYUMRMIAAG-YJBOKZPZSA-N 2 0 289.467 2.757 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccsc1 ZINC000925546559 648211290 /nfs/dbraw/zinc/21/12/90/648211290.db2.gz ORAZTYREYKFHIU-GJZGRUSLSA-N 2 0 295.496 2.861 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2)C1 ZINC000925547225 648211466 /nfs/dbraw/zinc/21/14/66/648211466.db2.gz ARBFJCYNWGXOKQ-OWCLPIDISA-N 2 0 287.451 2.761 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925552099 648213339 /nfs/dbraw/zinc/21/33/39/648213339.db2.gz GXDVHPNPHUJSOP-CVEARBPZSA-N 2 0 279.472 2.515 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000925552819 648213382 /nfs/dbraw/zinc/21/33/82/648213382.db2.gz KWYYYCWBNYKAPG-JKSUJKDBSA-N 2 0 298.434 2.868 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925558310 648215662 /nfs/dbraw/zinc/21/56/62/648215662.db2.gz QLPSQEDVLVDMCO-HOTGVXAUSA-N 2 0 273.424 2.502 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000925565856 648220180 /nfs/dbraw/zinc/22/01/80/648220180.db2.gz AKKUJAVNDVOMEY-ZDUSSCGKSA-N 2 0 279.453 2.648 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1C ZINC000925567540 648220968 /nfs/dbraw/zinc/22/09/68/648220968.db2.gz OWHATGMNFGVUMX-ZIAGYGMSSA-N 2 0 278.444 2.515 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C12CCC2 ZINC000925569588 648222002 /nfs/dbraw/zinc/22/20/02/648222002.db2.gz GZOOAOPLGZHTCR-GVDBMIGSSA-N 2 0 270.420 2.867 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925578454 648225131 /nfs/dbraw/zinc/22/51/31/648225131.db2.gz FCPDGUIBCVIQRU-CVEARBPZSA-N 2 0 274.408 2.623 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCOCC(F)(F)F)c1ccccc1 ZINC000925579670 648225672 /nfs/dbraw/zinc/22/56/72/648225672.db2.gz NSHQNFVHFUHISR-ZDUSSCGKSA-N 2 0 290.329 2.635 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1Oc2ccccc2[C@H]1C ZINC000925578470 648225800 /nfs/dbraw/zinc/22/58/00/648225800.db2.gz FGIXIGSQWNZGFY-PWGAFSCYSA-N 2 0 286.419 2.799 20 0 CFADRP C(CC1CCC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925582097 648226444 /nfs/dbraw/zinc/22/64/44/648226444.db2.gz XAZGYJBSBDXGIG-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)Oc1ccccc1 ZINC000925604179 648236778 /nfs/dbraw/zinc/23/67/78/648236778.db2.gz VFIICQAUGBXPLZ-ORQFMDKSSA-N 2 0 288.435 2.820 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925608650 648237154 /nfs/dbraw/zinc/23/71/54/648237154.db2.gz GTUPVGQQJMCJCW-OTBWCIGPSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925613854 648240474 /nfs/dbraw/zinc/24/04/74/648240474.db2.gz TZFFGBJOXHXEAR-WMZOPIPTSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925617896 648241601 /nfs/dbraw/zinc/24/16/01/648241601.db2.gz XODKZQBZOVJGES-RQJABVFESA-N 2 0 280.412 2.587 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925617710 648241803 /nfs/dbraw/zinc/24/18/03/648241803.db2.gz RCRDBSGEIXOVKN-HOTGVXAUSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925617895 648241857 /nfs/dbraw/zinc/24/18/57/648241857.db2.gz XODKZQBZOVJGES-RFGFWPKPSA-N 2 0 280.412 2.587 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925618348 648242934 /nfs/dbraw/zinc/24/29/34/648242934.db2.gz ZREKSFOFZBPERA-QRJUGERDSA-N 2 0 280.456 2.556 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925625354 648246656 /nfs/dbraw/zinc/24/66/56/648246656.db2.gz HJWWNBWNEYXIKB-ZDUSSCGKSA-N 2 0 256.459 2.640 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925630088 648249703 /nfs/dbraw/zinc/24/97/03/648249703.db2.gz QGQICNDUOVCAPN-XHSDSOJGSA-N 2 0 280.456 2.844 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925631738 648251266 /nfs/dbraw/zinc/25/12/66/648251266.db2.gz JCIBNYVATUWGHY-MJBXVCDLSA-N 2 0 280.412 2.853 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925634109 648252131 /nfs/dbraw/zinc/25/21/31/648252131.db2.gz LLKVZGNWRPNBSP-BBRMVZONSA-N 2 0 261.413 2.609 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C12CCC2 ZINC000925638555 648255680 /nfs/dbraw/zinc/25/56/80/648255680.db2.gz DPCSXUCSCJOFEY-CHWSQXEVSA-N 2 0 266.335 2.984 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925639192 648255688 /nfs/dbraw/zinc/25/56/88/648255688.db2.gz KOCWRLKXBWHICD-QWHCGFSZSA-N 2 0 256.434 2.545 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925638271 648255832 /nfs/dbraw/zinc/25/58/32/648255832.db2.gz AGDWDERNXXRYHG-HZPDHXFCSA-N 2 0 282.472 2.807 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925640967 648256995 /nfs/dbraw/zinc/25/69/95/648256995.db2.gz WSABHMJCJPXSOG-HUUCEWRRSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccccc1 ZINC000925643535 648258297 /nfs/dbraw/zinc/25/82/97/648258297.db2.gz WMOQOYOGUIRZRU-MOPGFXCFSA-N 2 0 298.430 2.660 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925652845 648262337 /nfs/dbraw/zinc/26/23/37/648262337.db2.gz BAMXVHJDHZWBFV-HZPDHXFCSA-N 2 0 279.472 2.514 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925652846 648262558 /nfs/dbraw/zinc/26/25/58/648262558.db2.gz BAMXVHJDHZWBFV-JKSUJKDBSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000925651915 648262833 /nfs/dbraw/zinc/26/28/33/648262833.db2.gz LDECNEFAWRJQRJ-WBAXXEDZSA-N 2 0 287.451 2.681 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C[C@H](C)O1 ZINC000925655155 648263707 /nfs/dbraw/zinc/26/37/07/648263707.db2.gz QJKDFEYRGQXNMM-AIEDFZFUSA-N 2 0 268.445 2.686 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)C1 ZINC000925653632 648264095 /nfs/dbraw/zinc/26/40/95/648264095.db2.gz IMRWQPVJTMEVSS-BZUAXINKSA-N 2 0 282.472 2.671 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925655735 648265641 /nfs/dbraw/zinc/26/56/41/648265641.db2.gz HALCIQHDVPMFJT-VXGBXAGGSA-N 2 0 256.459 2.768 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2COc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925669797 648271655 /nfs/dbraw/zinc/27/16/55/648271655.db2.gz XYYFICJSZPPINT-QIJZBDPFSA-N 2 0 286.419 2.529 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)c1ccccc1 ZINC000925669049 648271959 /nfs/dbraw/zinc/27/19/59/648271959.db2.gz OCRCHFGKXKYEAP-XZDPQHSOSA-N 2 0 276.424 2.604 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925681218 648277278 /nfs/dbraw/zinc/27/72/78/648277278.db2.gz UGJPTHNYZADWPO-PBNICFCESA-N 2 0 282.431 2.693 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)OC ZINC000925681689 648277311 /nfs/dbraw/zinc/27/73/11/648277311.db2.gz WZSBBCJTJZUPMM-OAGGEKHMSA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925686306 648279293 /nfs/dbraw/zinc/27/92/93/648279293.db2.gz SXFKLCXQWJKTLW-KBUPBQIOSA-N 2 0 268.445 2.830 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)c1 ZINC000925689580 648281901 /nfs/dbraw/zinc/28/19/01/648281901.db2.gz SIVXDLHAKZJWJW-GJZQLZGMSA-N 2 0 298.430 2.527 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)CC(F)(F)F ZINC000925694839 648283976 /nfs/dbraw/zinc/28/39/76/648283976.db2.gz GDHHDCBARUFVNL-QWRGUYRKSA-N 2 0 264.335 2.839 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925704636 648287164 /nfs/dbraw/zinc/28/71/64/648287164.db2.gz ZIOISHRCCFPDTF-JCGIZDLHSA-N 2 0 288.435 2.701 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C12CCC2 ZINC000925707009 648288466 /nfs/dbraw/zinc/28/84/66/648288466.db2.gz MKJRAXASQZEHHP-QZQSVVMZSA-N 2 0 270.367 2.814 20 0 CFADRP CC(C)(F)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925708380 648289672 /nfs/dbraw/zinc/28/96/72/648289672.db2.gz LHXHDVLUPNCNLD-UONOGXRCSA-N 2 0 256.409 2.883 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2noc3ccccc23)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925711204 648291723 /nfs/dbraw/zinc/29/17/23/648291723.db2.gz DXLSSNDGFZQPML-COXVUDFISA-N 2 0 299.418 2.737 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C12CCC2 ZINC000925713887 648292528 /nfs/dbraw/zinc/29/25/28/648292528.db2.gz VWYUXGVMLDUROS-WCVJEAGWSA-N 2 0 256.393 2.650 20 0 CFADRP c1coc(CCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925715682 648293487 /nfs/dbraw/zinc/29/34/87/648293487.db2.gz KKHZZBZFROBQGX-SJORKVTESA-N 2 0 276.424 2.970 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925719457 648296902 /nfs/dbraw/zinc/29/69/02/648296902.db2.gz RZEOQNWGPVEDHY-XGUBFFRZSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000925725208 648299294 /nfs/dbraw/zinc/29/92/94/648299294.db2.gz RUFOOJZXGJKOPC-IFXJQAMLSA-N 2 0 295.430 2.510 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925726531 648299631 /nfs/dbraw/zinc/29/96/31/648299631.db2.gz JDZWDBHZHFFABN-UXLLHSPISA-N 2 0 287.451 2.669 20 0 CFADRP CC1(C)CO[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925728127 648299873 /nfs/dbraw/zinc/29/98/73/648299873.db2.gz BCQSXXZDDIINTR-JKSUJKDBSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925731095 648300676 /nfs/dbraw/zinc/30/06/76/648300676.db2.gz JOLIVVMEIRDYGY-WFASDCNBSA-N 2 0 291.439 2.705 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccns1)c1ccccc1 ZINC000925733779 648301618 /nfs/dbraw/zinc/30/16/18/648301618.db2.gz XSPNJWNBPFBZQP-OAHLLOKOSA-N 2 0 275.421 2.755 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)C1 ZINC000925731783 648301690 /nfs/dbraw/zinc/30/16/90/648301690.db2.gz UZUUWKBRDHPNLV-VXGBXAGGSA-N 2 0 289.379 2.529 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925735553 648303670 /nfs/dbraw/zinc/30/36/70/648303670.db2.gz WAOLRHZIWXTVJD-FVCCEPFGSA-N 2 0 276.346 2.695 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000925736754 648304613 /nfs/dbraw/zinc/30/46/13/648304613.db2.gz OMPGMSKHVKTORT-UPJWGTAASA-N 2 0 260.372 2.790 20 0 CFADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)CCO2 ZINC000925739927 648305296 /nfs/dbraw/zinc/30/52/96/648305296.db2.gz BPMFPVJCTGCRTB-CQSZACIVSA-N 2 0 262.397 2.790 20 0 CFADRP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H](C1CC1)C1CCCC1)C2 ZINC000925748763 648307481 /nfs/dbraw/zinc/30/74/81/648307481.db2.gz CRZAIIDTHVVBTF-MRXNPFEDSA-N 2 0 291.464 2.929 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925759934 648311033 /nfs/dbraw/zinc/31/10/33/648311033.db2.gz JCGXTRZBZFBJLR-MRXNPFEDSA-N 3 0 275.440 2.670 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1sccc1Br ZINC000925762895 648312664 /nfs/dbraw/zinc/31/26/64/648312664.db2.gz OTLIYRCMTYJPKE-RKDXNWHRSA-N 2 0 291.258 2.769 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925776453 648318361 /nfs/dbraw/zinc/31/83/61/648318361.db2.gz HASHBWPSSUFSLB-CYBMUJFWSA-N 2 0 268.470 2.927 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925779404 648320233 /nfs/dbraw/zinc/32/02/33/648320233.db2.gz MYHWROTZFIQVHM-UONOGXRCSA-N 2 0 268.351 2.972 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784447 648321688 /nfs/dbraw/zinc/32/16/88/648321688.db2.gz ROCZIBWFNDVRCD-WDEREUQCSA-N 2 0 280.428 2.741 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785266 648323154 /nfs/dbraw/zinc/32/31/54/648323154.db2.gz MLYOTNSRAZHHAD-WWGRRREGSA-N 2 0 274.408 2.518 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925801370 648327470 /nfs/dbraw/zinc/32/74/70/648327470.db2.gz ALMYGQWMUPYKPZ-GRYCIOLGSA-N 2 0 297.830 2.640 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H]2CCO[C@@H]21 ZINC000925809044 648329974 /nfs/dbraw/zinc/32/99/74/648329974.db2.gz QULJHYARVQFASL-ULQDDVLXSA-N 2 0 294.483 2.950 20 0 CFADRP c1cc(CN2CC[NH2+]CC2)ccc1C[NH2+]C1CCCCC1 ZINC000925808028 648330203 /nfs/dbraw/zinc/33/02/03/648330203.db2.gz JLNYBWIZQRDJEM-UHFFFAOYSA-N 2 0 287.451 2.514 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1C ZINC000925809010 648330243 /nfs/dbraw/zinc/33/02/43/648330243.db2.gz GTNXLAOOKDTDED-INIZCTEOSA-N 2 0 289.467 2.686 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccoc1 ZINC000925811267 648330765 /nfs/dbraw/zinc/33/07/65/648330765.db2.gz HSAQGCOEUPMTBW-KRWDZBQOSA-N 2 0 293.455 2.770 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)nn1C ZINC000925810332 648330882 /nfs/dbraw/zinc/33/08/82/648330882.db2.gz YTGFKESVFJFKOJ-OAHLLOKOSA-N 2 0 292.471 2.939 20 0 CFADRP C[C@@H](NCCc1ccc2ncccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000925812136 648330968 /nfs/dbraw/zinc/33/09/68/648330968.db2.gz HOAGGQDFVJNOEL-PBHICJAKSA-N 2 0 283.419 2.898 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000925811040 648331278 /nfs/dbraw/zinc/33/12/78/648331278.db2.gz BUEOHGURGZTCLA-KZNAEPCWSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814290 648332158 /nfs/dbraw/zinc/33/21/58/648332158.db2.gz KEDIBANBEOHSFB-PBHICJAKSA-N 2 0 283.419 2.755 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000925818933 648332613 /nfs/dbraw/zinc/33/26/13/648332613.db2.gz WIZOQGKQUGIMEH-SJLPKXTDSA-N 3 0 295.515 2.866 20 0 CFADRP [NH3+]C1CCN(CC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000925815581 648332636 /nfs/dbraw/zinc/33/26/36/648332636.db2.gz RVIYOKPAEWSBKF-SFHVURJKSA-N 2 0 287.451 2.541 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816493 648332899 /nfs/dbraw/zinc/33/28/99/648332899.db2.gz HEQMBIUOCOOITQ-WBVHZDCISA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])ccc2O1 ZINC000925831728 648337016 /nfs/dbraw/zinc/33/70/16/648337016.db2.gz LBZBINUDDSWWOI-XPKDYRNWSA-N 2 0 274.408 2.617 20 0 CFADRP c1ccc2ncc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000925833027 648337218 /nfs/dbraw/zinc/33/72/18/648337218.db2.gz QAPMCCASHVQGFR-KZNAEPCWSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925834496 648337937 /nfs/dbraw/zinc/33/79/37/648337937.db2.gz XOCULYWBHXGCFM-STQMWFEESA-N 2 0 264.388 2.963 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925835470 648338650 /nfs/dbraw/zinc/33/86/50/648338650.db2.gz QALNDOUOPFBSCR-UKRRQHHQSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1nc([C@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000925839609 648340379 /nfs/dbraw/zinc/34/03/79/648340379.db2.gz HYFZQFRYDWFAKS-ZLKJLUDKSA-N 2 0 265.426 2.634 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)C2 ZINC000925843825 648341941 /nfs/dbraw/zinc/34/19/41/648341941.db2.gz TZJGDQARBKXVBS-KZNAEPCWSA-N 2 0 270.420 2.666 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844121 648342121 /nfs/dbraw/zinc/34/21/21/648342121.db2.gz WAPJPPLXSIQLMM-BMGDILEWSA-N 2 0 288.435 2.748 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)oc1C ZINC000925845714 648342901 /nfs/dbraw/zinc/34/29/01/648342901.db2.gz HXQLWHQRXUHEMM-HNNXBMFYSA-N 2 0 293.455 2.623 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)nc1 ZINC000925845537 648343337 /nfs/dbraw/zinc/34/33/37/648343337.db2.gz LKDQAHDKUKTAJC-NJZAAPMLSA-N 2 0 279.815 2.918 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)o1 ZINC000925845822 648343395 /nfs/dbraw/zinc/34/33/95/648343395.db2.gz RKSORYKIICUPKT-HNNXBMFYSA-N 2 0 293.455 2.568 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)COC2 ZINC000925845518 648343584 /nfs/dbraw/zinc/34/35/84/648343584.db2.gz XYMQFNZDIHQVHI-FSPWUOQZSA-N 2 0 286.419 2.900 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1N(C)C ZINC000925847829 648344504 /nfs/dbraw/zinc/34/45/04/648344504.db2.gz YMZGJCIBUDFZAS-BMGDILEWSA-N 2 0 287.451 2.935 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCSC3(CCC3)C1)[NH2+]2 ZINC000925855257 648346053 /nfs/dbraw/zinc/34/60/53/648346053.db2.gz CGMRUHFLOOKXRC-KHMAMNHCSA-N 2 0 280.481 2.923 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925861138 648348124 /nfs/dbraw/zinc/34/81/24/648348124.db2.gz MWFYQEZLQGEANS-YZUHTNEWSA-N 3 0 279.472 2.514 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2OCCc3ccccc32)C1 ZINC000925873906 648351762 /nfs/dbraw/zinc/35/17/62/648351762.db2.gz NEYQFCGOSWFVNP-BFYDXBDKSA-N 2 0 274.408 2.550 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000925880426 648353677 /nfs/dbraw/zinc/35/36/77/648353677.db2.gz RMIRLKGQWIBMGO-MJBXVCDLSA-N 2 0 262.397 2.782 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925879646 648353920 /nfs/dbraw/zinc/35/39/20/648353920.db2.gz BFEUSJRVAVLSJG-KZNAEPCWSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)nc1 ZINC000925882291 648354308 /nfs/dbraw/zinc/35/43/08/648354308.db2.gz KERHWOBESGDZHX-FOGDFJRCSA-N 2 0 253.777 2.513 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cnn1C(C)(C)C ZINC000925881739 648354623 /nfs/dbraw/zinc/35/46/23/648354623.db2.gz FLBAWIZRIJLBTM-BNOWGMLFSA-N 2 0 278.444 2.725 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887833 648356271 /nfs/dbraw/zinc/35/62/71/648356271.db2.gz NMVGJVSEBHZTTF-OKZBNKHCSA-N 2 0 290.451 2.840 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926169110 648423386 /nfs/dbraw/zinc/42/33/86/648423386.db2.gz YNOUCTYWMXOEFQ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C([NH2+][C@H](C1CCC1)[C@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311395 648459764 /nfs/dbraw/zinc/45/97/64/648459764.db2.gz YCGYPWCOQXWPJG-FUHWJXTLSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000926321799 648462417 /nfs/dbraw/zinc/46/24/17/648462417.db2.gz CHBXHBBGCGNZRP-AWEZNQCLSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000926322169 648462766 /nfs/dbraw/zinc/46/27/66/648462766.db2.gz DRNVEUSIQHQWRL-HOCLYGCPSA-N 2 0 275.440 2.723 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336329 648465194 /nfs/dbraw/zinc/46/51/94/648465194.db2.gz FKEPXPBFUFGBKA-OTBWCIGPSA-N 2 0 282.472 2.923 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926338228 648466216 /nfs/dbraw/zinc/46/62/16/648466216.db2.gz XIFYDLSOOUPBAP-BFWZDYSYSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCOC[C@@H]2C)CC1 ZINC000926411230 648480507 /nfs/dbraw/zinc/48/05/07/648480507.db2.gz RHSHVNHQELQNPL-HOTGVXAUSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]CC1=CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926427389 648484207 /nfs/dbraw/zinc/48/42/07/648484207.db2.gz ZGDZZGYPBRSBEY-CQSZACIVSA-N 2 0 274.408 2.746 20 0 CFADRP CC[C@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)OC ZINC000926453034 648493833 /nfs/dbraw/zinc/49/38/33/648493833.db2.gz AQRCKUBROUZLJL-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926515388 648516139 /nfs/dbraw/zinc/51/61/39/648516139.db2.gz WWXORPBFZUKJRS-CJNGLKHVSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C2CCC2)c1 ZINC000926540331 648525000 /nfs/dbraw/zinc/52/50/00/648525000.db2.gz IGNNWFCJSOPCHZ-IICXIOTHSA-N 2 0 288.439 2.884 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cn2c(n1)CCCC2 ZINC000926573755 648538916 /nfs/dbraw/zinc/53/89/16/648538916.db2.gz PLFPJPPULUQAFI-LSDHHAIUSA-N 2 0 290.455 2.602 20 0 CFADRP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926634857 648557199 /nfs/dbraw/zinc/55/71/99/648557199.db2.gz NEQMVHGVWDWHLQ-DOTOQJQBSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926644862 648560505 /nfs/dbraw/zinc/56/05/05/648560505.db2.gz KTFKFHMINNKCHR-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000926645509 648560781 /nfs/dbraw/zinc/56/07/81/648560781.db2.gz QCPVURHQCKBLAC-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000926695402 648579059 /nfs/dbraw/zinc/57/90/59/648579059.db2.gz DFZJLACOPWUGRL-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926709098 648585123 /nfs/dbraw/zinc/58/51/23/648585123.db2.gz ZAUSAACFGWDILJ-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000926744708 648599755 /nfs/dbraw/zinc/59/97/55/648599755.db2.gz JWQBATFRZPURFM-CJNGLKHVSA-N 2 0 289.423 2.845 20 0 CFADRP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccns1 ZINC000926755779 648603507 /nfs/dbraw/zinc/60/35/07/648603507.db2.gz ZTXXWQJRTHZVMW-RYUDHWBXSA-N 2 0 253.415 2.526 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ncco2)CC1 ZINC000926791142 648617264 /nfs/dbraw/zinc/61/72/64/648617264.db2.gz OPCZRYCEJCLGDE-CYBMUJFWSA-N 2 0 265.401 2.836 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926913493 648654597 /nfs/dbraw/zinc/65/45/97/648654597.db2.gz SJBFIPRFXFLGDB-FVCCEPFGSA-N 2 0 294.361 2.559 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926913492 648654971 /nfs/dbraw/zinc/65/49/71/648654971.db2.gz SJBFIPRFXFLGDB-FDYHWXHSSA-N 2 0 294.361 2.559 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000926971798 648674011 /nfs/dbraw/zinc/67/40/11/648674011.db2.gz MWLGLDOYIRMLOT-IUODEOHRSA-N 2 0 287.407 2.751 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)C1CC[NH+](C)CC1 ZINC000927021724 648685896 /nfs/dbraw/zinc/68/58/96/648685896.db2.gz XJNWJMOYJKWTHJ-HOCLYGCPSA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000927035993 648688546 /nfs/dbraw/zinc/68/85/46/648688546.db2.gz DZYCNNNCYNIDDV-GULBITTBSA-N 2 0 288.439 2.784 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927035868 648688854 /nfs/dbraw/zinc/68/88/54/648688854.db2.gz CMKOIJBQCKNIPI-HPUBIQBYSA-N 2 0 288.439 2.843 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCS1 ZINC000927030059 648688967 /nfs/dbraw/zinc/68/89/67/648688967.db2.gz HFAXGNIYAHRYGF-SWLSCSKDSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@]1(C)CCCO1 ZINC000927038376 648689463 /nfs/dbraw/zinc/68/94/63/648689463.db2.gz QBEKUIDYEJVXQE-RDHHWEPZSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccnnc1 ZINC000927036279 648689615 /nfs/dbraw/zinc/68/96/15/648689615.db2.gz GXRUFEUUMYMBHM-JEYLPNPQSA-N 2 0 274.412 2.534 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000927037188 648689717 /nfs/dbraw/zinc/68/97/17/648689717.db2.gz LWHCPPKUULLQEW-PCKAHOCUSA-N 2 0 278.440 2.695 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927037713 648689765 /nfs/dbraw/zinc/68/97/65/648689765.db2.gz KPCUNVAPZIWJQP-UHFFFAOYSA-N 3 0 293.499 2.857 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@@H]2CCC[C@H]21 ZINC000927062112 648693522 /nfs/dbraw/zinc/69/35/22/648693522.db2.gz WJDXGDJZMLMSEA-MWDXBVQZSA-N 2 0 285.435 2.921 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@@H]2CCC[C@@H]21 ZINC000927064525 648693876 /nfs/dbraw/zinc/69/38/76/648693876.db2.gz WJDXGDJZMLMSEA-QAETUUGQSA-N 2 0 285.435 2.921 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929283978 649023413 /nfs/dbraw/zinc/02/34/13/649023413.db2.gz XKDGAJAEJUWOAU-BTTYYORXSA-N 2 0 272.383 2.551 20 0 CFADRP CC1CC(C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000929287855 649024529 /nfs/dbraw/zinc/02/45/29/649024529.db2.gz PLCBCENGMVSTBU-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000929699342 649099921 /nfs/dbraw/zinc/09/99/21/649099921.db2.gz LPOJHPPAANIIBI-FQUUOJAGSA-N 2 0 272.383 2.551 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C(C)C ZINC000929762634 649115453 /nfs/dbraw/zinc/11/54/53/649115453.db2.gz IAORYDHLMBCVTJ-SJORKVTESA-N 2 0 282.472 2.569 20 0 CFADRP FCc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929836712 649135342 /nfs/dbraw/zinc/13/53/42/649135342.db2.gz RISCGCIGPXIQJR-UHFFFAOYSA-N 2 0 285.366 2.873 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(C)(F)F)CC[C@H]21 ZINC000929849323 649138476 /nfs/dbraw/zinc/13/84/76/649138476.db2.gz XFRUSFOEOXBORZ-QWHCGFSZSA-N 2 0 260.372 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000929998014 649162703 /nfs/dbraw/zinc/16/27/03/649162703.db2.gz ALWGVWCUQASJST-NRKLIOEPSA-N 2 0 282.472 2.852 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cccnc2)[C@H](C)C1 ZINC000929998475 649162778 /nfs/dbraw/zinc/16/27/78/649162778.db2.gz FGQNVBBULWKKAH-NVXWUHKLSA-N 2 0 275.440 2.676 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](Cc1[nH]c(C)nc1C)CC2 ZINC000930115025 649187691 /nfs/dbraw/zinc/18/76/91/649187691.db2.gz RQLSIQVGYQQPAD-UHFFFAOYSA-N 2 0 285.391 2.636 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3CF)C2)C1 ZINC000930555766 649273339 /nfs/dbraw/zinc/27/33/39/649273339.db2.gz PJKKDCGVDYFXAQ-MRXNPFEDSA-N 2 0 262.372 2.684 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C[C@H](C)O1 ZINC000930576707 649278527 /nfs/dbraw/zinc/27/85/27/649278527.db2.gz LZIXOIUHHZRUFJ-LTIDMASMSA-N 2 0 280.456 2.608 20 0 CFADRP CN1C[C@]2(C)C[N@H+](CCC3CCCC3)C[C@]2(C)C1 ZINC000931312734 649404751 /nfs/dbraw/zinc/40/47/51/649404751.db2.gz YZOZDVNDYMFTTN-IYBDPMFKSA-N 2 0 250.430 2.840 20 0 CFADRP C[NH+]1C[C@@]2(C)CN(CCCCC(F)(F)F)C[C@]2(C)C1 ZINC000931311439 649405041 /nfs/dbraw/zinc/40/50/41/649405041.db2.gz NKHQFUQJJRIPTA-STQMWFEESA-N 2 0 278.362 2.993 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C)([NH+](C)C)CC1 ZINC000931352653 649413917 /nfs/dbraw/zinc/41/39/17/649413917.db2.gz PBHNAIGKVWMTSQ-INIZCTEOSA-N 2 0 281.488 2.665 20 0 CFADRP CCCOc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931436694 649426267 /nfs/dbraw/zinc/42/62/67/649426267.db2.gz KPVDYBAERZBYNH-DLBZAZTESA-N 2 0 288.435 2.859 20 0 CFADRP Cn1ncc2c1cccc2C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168368937 778631110 /nfs/dbraw/zinc/63/11/10/778631110.db2.gz TVEVAOHFMHKAMU-UHFFFAOYSA-N 2 0 298.434 2.537 20 0 CFADRP CC(C)(CO)C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277967866 778558127 /nfs/dbraw/zinc/55/81/27/778558127.db2.gz JJIWXIOJBUWGRJ-ZWKOTPCHSA-N 2 0 294.483 2.972 20 0 CFADRP C[NH+]1CCC(C)(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001208108725 769853281 /nfs/dbraw/zinc/85/32/81/769853281.db2.gz YZJQHAZRQBGBJN-BETUJISGSA-N 2 0 272.383 2.695 20 0 CFADRP COc1cc(C)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768712 769873767 /nfs/dbraw/zinc/87/37/67/769873767.db2.gz LSJAFCKOEJZCDW-ZIAGYGMSSA-N 2 0 262.397 2.563 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000692975426 769947396 /nfs/dbraw/zinc/94/73/96/769947396.db2.gz GAGJTIOJKBHDIE-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP COc1cc(C)c(C)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806797 769984477 /nfs/dbraw/zinc/98/44/77/769984477.db2.gz HLVHWQBMIQKQNU-HUUCEWRRSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1ccc(-n2ccc3cc(C[NH3+])cnc32)c(C[NH+](C)C)c1 ZINC001167316141 770277454 /nfs/dbraw/zinc/27/74/54/770277454.db2.gz GUKVOJYLHOWQHT-UHFFFAOYSA-N 2 0 294.402 2.854 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693375054 770565218 /nfs/dbraw/zinc/56/52/18/770565218.db2.gz YRDCMAOWQRARAQ-YVECIDJPSA-N 2 0 260.372 2.583 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207189703 770580021 /nfs/dbraw/zinc/58/00/21/770580021.db2.gz DGFXTZZRBMAWMZ-MPTYRVRUSA-N 2 0 290.838 2.937 20 0 CFADRP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723670727 770648426 /nfs/dbraw/zinc/64/84/26/770648426.db2.gz JDHLHTYWUOVYBL-LBPRGKRZSA-N 2 0 252.789 2.819 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@H](CC[NH3+])C2)cc1C ZINC000723689462 770649907 /nfs/dbraw/zinc/64/99/07/770649907.db2.gz GKIJKXSVDRAYPB-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP Cc1cc(C)nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000723846372 770683801 /nfs/dbraw/zinc/68/38/01/770683801.db2.gz RIGQQLXWKZSUJB-CJNGLKHVSA-N 2 0 261.413 2.648 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1CC[NH3+] ZINC000723889082 770706653 /nfs/dbraw/zinc/70/66/53/770706653.db2.gz VBMWMCAMNYHGRK-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)C[C@H]1CC[NH3+] ZINC000723888456 770706715 /nfs/dbraw/zinc/70/67/15/770706715.db2.gz KXRCRQIFXOSRMU-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H](COCc1ccccc1)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723884275 770706946 /nfs/dbraw/zinc/70/69/46/770706946.db2.gz SRXWJGRGWMPHOU-JFIYKMOQSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1CC[NH3+] ZINC000723892297 770707851 /nfs/dbraw/zinc/70/78/51/770707851.db2.gz WNLUOMSOIQIXLI-CXAGYDPISA-N 2 0 258.409 2.592 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCCOC1 ZINC000724012133 770749605 /nfs/dbraw/zinc/74/96/05/770749605.db2.gz GKJNIQICJHMFIA-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)CC(C)(C)C[NH+](C)C)CC1 ZINC001207285840 770905368 /nfs/dbraw/zinc/90/53/68/770905368.db2.gz PBUBYOIUOXMCCP-UHFFFAOYSA-N 3 0 283.504 2.626 20 0 CFADRP C[C@@H](C[NH+](C)C)O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001224136145 775109228 /nfs/dbraw/zinc/10/92/28/775109228.db2.gz ZZQOJVLAZLXKQA-GOEBONIOSA-N 2 0 264.413 2.646 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721552728 775158112 /nfs/dbraw/zinc/15/81/12/775158112.db2.gz BKOWTNBDTWJFNR-CABCVRRESA-N 2 0 270.461 2.900 20 0 CFADRP CCC[N@H+](CC)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204611546 775188190 /nfs/dbraw/zinc/18/81/90/775188190.db2.gz RTRQXJYSJKCSRW-UHFFFAOYSA-N 2 0 271.408 2.976 20 0 CFADRP C[C@H](OCCCCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001217776186 775280719 /nfs/dbraw/zinc/28/07/19/775280719.db2.gz FRULJVLJONSDGZ-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H](C[NH+](C)C)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224825894 775283723 /nfs/dbraw/zinc/28/37/23/775283723.db2.gz MWPVUSJRMDOQHI-FUHWJXTLSA-N 2 0 290.451 2.865 20 0 CFADRP C[NH+](C)Cc1ccc(OC2CCN(CCF)CC2)cc1 ZINC001225331203 775413792 /nfs/dbraw/zinc/41/37/92/775413792.db2.gz YANNAYCKZXMJNC-UHFFFAOYSA-N 2 0 280.387 2.561 20 0 CFADRP C[NH+](C)Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001225330328 775414270 /nfs/dbraw/zinc/41/42/70/775414270.db2.gz GLNDBXXPXGAAMD-SCAQPMJSSA-N 2 0 274.408 2.752 20 0 CFADRP CC[NH+](CC)C[C@H](C)Oc1ccc(C[NH+](C)C)cc1 ZINC001225329497 775414507 /nfs/dbraw/zinc/41/45/07/775414507.db2.gz CDNDQZFMZJXAST-AWEZNQCLSA-N 2 0 264.413 2.857 20 0 CFADRP Cc1cc(Br)ccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708823447 775470801 /nfs/dbraw/zinc/47/08/01/775470801.db2.gz VCQASOCZXYJEGR-WCQYABFASA-N 2 0 297.240 2.784 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C12CCC2 ZINC000925518599 775842509 /nfs/dbraw/zinc/84/25/09/775842509.db2.gz RMONWKLXTFZZLM-SUJAAXHWSA-N 2 0 292.467 2.700 20 0 CFADRP Nc1cc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001226657899 775906770 /nfs/dbraw/zinc/90/67/70/775906770.db2.gz SXTIUPLLYUHQEP-MRXNPFEDSA-N 2 0 283.375 2.707 20 0 CFADRP Nc1cc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001226657898 775907805 /nfs/dbraw/zinc/90/78/05/775907805.db2.gz SXTIUPLLYUHQEP-INIZCTEOSA-N 2 0 283.375 2.707 20 0 CFADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC(F)(F)CC1 ZINC000690811858 775912385 /nfs/dbraw/zinc/91/23/85/775912385.db2.gz KOPCRJBZBKQFGN-BMJAIKTRSA-N 2 0 284.394 2.786 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001207482951 775979035 /nfs/dbraw/zinc/97/90/35/775979035.db2.gz AAVZKKKAILHPGY-SFHVURJKSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@@H]1C[C@H](C)N(Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000397370216 776010153 /nfs/dbraw/zinc/01/01/53/776010153.db2.gz GWUQUYVKBZITRF-MDZLAQPJSA-N 2 0 267.804 2.540 20 0 CFADRP [NH3+]C12CC(C[NH+]3CCCC4(CCCC[NH2+]C4)CCC3)(C1)C2 ZINC001222109182 776014791 /nfs/dbraw/zinc/01/47/91/776014791.db2.gz AAPVEQBVOZFWPJ-UHFFFAOYSA-N 3 0 291.483 2.504 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2c(c1)C[NH2+]C2 ZINC001167752014 776081882 /nfs/dbraw/zinc/08/18/82/776081882.db2.gz AWGRDLUWUCLGCU-CQSZACIVSA-N 2 0 273.424 2.966 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)CC[NH+](C)C ZINC000695882450 776084051 /nfs/dbraw/zinc/08/40/51/776084051.db2.gz IZQNHYJZBOJMRX-HZPDHXFCSA-N 2 0 278.440 2.912 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CC34CCC4)CC2)cc[nH+]1 ZINC000721233059 776179965 /nfs/dbraw/zinc/17/99/65/776179965.db2.gz GYEIDBAZCFNJRQ-OAHLLOKOSA-N 2 0 257.381 2.583 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422765966 776327657 /nfs/dbraw/zinc/32/76/57/776327657.db2.gz WQTHLRDDMXPHGL-SUEGBPSZSA-N 2 0 250.430 2.918 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000125552364 776343233 /nfs/dbraw/zinc/34/32/33/776343233.db2.gz KIZVVKPFQZUPFV-LLVKDONJSA-N 2 0 272.314 2.876 20 0 CFADRP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[NH2+]CC1 ZINC001204655000 776450173 /nfs/dbraw/zinc/45/01/73/776450173.db2.gz LQDPXLWPPKYNPU-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C(CC1CC1)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692877784 776478256 /nfs/dbraw/zinc/47/82/56/776478256.db2.gz MWMGWEMIQLXZMM-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722337489 776487488 /nfs/dbraw/zinc/48/74/88/776487488.db2.gz LWIAWEWAROSNJJ-XBVQOTNRSA-N 2 0 280.456 2.844 20 0 CFADRP CCCO[C@@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167824712 776543585 /nfs/dbraw/zinc/54/35/85/776543585.db2.gz FUYFCQPLKOZMQV-HZPDHXFCSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(C1)CCOCC2 ZINC001167825883 776546968 /nfs/dbraw/zinc/54/69/68/776546968.db2.gz LNGQMYTZXISXHJ-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001167827852 776555249 /nfs/dbraw/zinc/55/52/49/776555249.db2.gz YLBNRBSGQPHWNG-IAGOWNOFSA-N 2 0 281.488 2.667 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722387432 776568931 /nfs/dbraw/zinc/56/89/31/776568931.db2.gz OYOITPDSIXYNLD-YPMHNXCESA-N 2 0 267.442 2.873 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001167833901 776572555 /nfs/dbraw/zinc/57/25/55/776572555.db2.gz FORLCRZLDPCKSJ-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N2CCC2)CC1 ZINC001167834474 776575518 /nfs/dbraw/zinc/57/55/18/776575518.db2.gz KJGBCRVMOQBAFF-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP CCN1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C(C)(C)C1 ZINC001167834708 776577506 /nfs/dbraw/zinc/57/75/06/776577506.db2.gz MCUPQRHPLADTNM-INIZCTEOSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)CCn1cccn1 ZINC001167836758 776584953 /nfs/dbraw/zinc/58/49/53/776584953.db2.gz GUAPKIALFWGUPZ-INIZCTEOSA-N 2 0 280.460 2.716 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1CC(=O)OC ZINC001167838402 776586651 /nfs/dbraw/zinc/58/66/51/776586651.db2.gz UFUVRHPTXXSJIL-CABCVRRESA-N 2 0 284.444 2.524 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1CC(=O)OC ZINC001167838409 776587781 /nfs/dbraw/zinc/58/77/81/776587781.db2.gz UFUVRHPTXXSJIL-GJZGRUSLSA-N 2 0 284.444 2.524 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOCC12CCC2 ZINC001167837526 776588974 /nfs/dbraw/zinc/58/89/74/776588974.db2.gz MDALITIHWWMTSQ-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001167838960 776593129 /nfs/dbraw/zinc/59/31/29/776593129.db2.gz XGHOXZQNIUWYNN-UKRRQHHQSA-N 2 0 294.443 2.678 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000222910244 776606289 /nfs/dbraw/zinc/60/62/89/776606289.db2.gz LLKIZBALSZMOJI-STQMWFEESA-N 2 0 252.377 2.687 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)CCC[NH+](C)C ZINC001167841655 776607628 /nfs/dbraw/zinc/60/76/28/776607628.db2.gz NQYRHFYJPGESLO-MRXNPFEDSA-N 3 0 271.493 2.771 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@](C)(C[NH3+])C1 ZINC001167905974 776793800 /nfs/dbraw/zinc/79/38/00/776793800.db2.gz QEGQZKZBBHTQOL-RGHULWKBSA-N 2 0 250.430 2.918 20 0 CFADRP Cc1cc(NC(=[NH2+])SCC[NH3+])ccc1OC(C)C ZINC001167911702 776832703 /nfs/dbraw/zinc/83/27/03/776832703.db2.gz DNUVLDFULFHIGL-UHFFFAOYSA-N 2 0 267.398 2.821 20 0 CFADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167911705 776833017 /nfs/dbraw/zinc/83/30/17/776833017.db2.gz DFYZMOKYXBSOPO-MUJYYYPQSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CCC[C@@H](Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229659370 776867237 /nfs/dbraw/zinc/86/72/37/776867237.db2.gz HAFGRMVBCVORNM-QGZVFWFLSA-N 2 0 276.424 2.654 20 0 CFADRP CCc1cccc(CC)c1NC(=[NH2+])SCC[NH3+] ZINC001167916842 776890410 /nfs/dbraw/zinc/89/04/10/776890410.db2.gz YKGKBPGHFPHVRI-UHFFFAOYSA-N 2 0 251.399 2.850 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918037 776913250 /nfs/dbraw/zinc/91/32/50/776913250.db2.gz FHIVSGZAEDKVPL-PECIQYQJSA-N 2 0 285.435 2.952 20 0 CFADRP C[C@@]1([NH3+])CCCN(Cc2cccc3c2CCCC3)C1 ZINC001204947445 776985641 /nfs/dbraw/zinc/98/56/41/776985641.db2.gz YKNXQMFSKCQCFR-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP C[C@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@@H](C)C1 ZINC000710014881 777002550 /nfs/dbraw/zinc/00/25/50/777002550.db2.gz LRSGNQMFCVIDFR-JJXSEGSLSA-N 2 0 250.430 2.887 20 0 CFADRP c1csc([C@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000710428418 777074178 /nfs/dbraw/zinc/07/41/78/777074178.db2.gz FGWHLPLNWOBGJK-ZGVCCVRISA-N 2 0 263.410 2.563 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccccc1F ZINC001277499737 777177211 /nfs/dbraw/zinc/17/72/11/777177211.db2.gz VINNYWLQBYJADQ-GOOCMWNKSA-N 2 0 292.398 2.809 20 0 CFADRP COc1c(F)cc(F)cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001143562778 777328199 /nfs/dbraw/zinc/32/81/99/777328199.db2.gz HAUTVTHANLOUFB-UHFFFAOYSA-N 2 0 296.361 2.501 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001231783428 777333555 /nfs/dbraw/zinc/33/35/55/777333555.db2.gz QNBSXSJXERYMLF-HIFRSBDPSA-N 2 0 276.449 2.792 20 0 CFADRP C[C@H]1C[C@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)CC[C@H]2O1 ZINC001232012794 777412489 /nfs/dbraw/zinc/41/24/89/777412489.db2.gz RNGOLOFRTCDICN-DETPVDSQSA-N 2 0 271.364 2.562 20 0 CFADRP C[N@H+](CCc1ccncc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013846 777412581 /nfs/dbraw/zinc/41/25/81/777412581.db2.gz GXRKFKLYECEFPX-UHFFFAOYSA-N 2 0 266.348 2.632 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC001232014591 777412691 /nfs/dbraw/zinc/41/26/91/777412691.db2.gz RPPJSMADUUDAFA-CQSZACIVSA-N 2 0 278.359 2.947 20 0 CFADRP COCC[C@@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014093 777412743 /nfs/dbraw/zinc/41/27/43/777412743.db2.gz JXSUWSZDVJIPIW-HNNXBMFYSA-N 2 0 273.380 2.954 20 0 CFADRP F[C@@H]1COC2(C1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232015395 777413172 /nfs/dbraw/zinc/41/31/72/777413172.db2.gz GHYXEOHARQRKIQ-ZDUSSCGKSA-N 2 0 289.354 2.656 20 0 CFADRP C[N@H+](C1CC1)C1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232017847 777414739 /nfs/dbraw/zinc/41/47/39/777414739.db2.gz ZSXIRSIWPFYKPW-UHFFFAOYSA-N 2 0 284.407 2.622 20 0 CFADRP CC(C)(O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970880 777433889 /nfs/dbraw/zinc/43/38/89/777433889.db2.gz PJYNHMLIFCADCY-MQVJKMGUSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCO1 ZINC001167975296 777442583 /nfs/dbraw/zinc/44/25/83/777442583.db2.gz NUJHMIKQMTULFQ-JBNOBCIYSA-N 2 0 278.440 2.549 20 0 CFADRP CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167977167 777446977 /nfs/dbraw/zinc/44/69/77/777446977.db2.gz AKOSNJXSAYILDZ-ALOPSCKCSA-N 2 0 292.467 2.941 20 0 CFADRP CCC[N@H+](CCOC)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232143480 777449979 /nfs/dbraw/zinc/44/99/79/777449979.db2.gz FPSCCRRGJJMVJP-UHFFFAOYSA-N 2 0 282.403 2.746 20 0 CFADRP COC[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985549 777470120 /nfs/dbraw/zinc/47/01/20/777470120.db2.gz YGJGPWRDZLRUOT-SOABOVLPSA-N 2 0 292.467 2.893 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC001232331059 777523027 /nfs/dbraw/zinc/52/30/27/777523027.db2.gz CLEQWWPVVSEDJM-UHFFFAOYSA-N 2 0 291.464 2.721 20 0 CFADRP CC1(C)[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21 ZINC001167994800 777526646 /nfs/dbraw/zinc/52/66/46/777526646.db2.gz PRLMYYIXSQSVFU-DJSILETISA-N 2 0 274.452 2.980 20 0 CFADRP CSc1cc(C)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001232349609 777532852 /nfs/dbraw/zinc/53/28/52/777532852.db2.gz GADSMHLATDSMKG-UHFFFAOYSA-N 2 0 291.464 2.640 20 0 CFADRP Cc1c(F)cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1F ZINC001232421565 777553660 /nfs/dbraw/zinc/55/36/60/777553660.db2.gz KTELGDXSDHMRIH-KGLIPLIRSA-N 2 0 280.362 2.657 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000338324223 777563225 /nfs/dbraw/zinc/56/32/25/777563225.db2.gz OQSCJKWSDZHNPR-IAGOWNOFSA-N 2 0 288.435 2.844 20 0 CFADRP COC[C@@H]1CCCC[N@H+](CCCCCCC[NH3+])C1 ZINC000696560419 777564370 /nfs/dbraw/zinc/56/43/70/777564370.db2.gz OXXBAMGITSQHGQ-OAHLLOKOSA-N 2 0 256.434 2.644 20 0 CFADRP C[C@H]1CC(NCC[NH+](C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007512 777585188 /nfs/dbraw/zinc/58/51/88/777585188.db2.gz SMVFDQTVBWELBU-HOTGVXAUSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H]1CC(n2ccc(C[NH3+])n2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007923 777588051 /nfs/dbraw/zinc/58/80/51/777588051.db2.gz BSMAYCYXJYZQGR-GJZGRUSLSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@H](CCO)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168012220 777625828 /nfs/dbraw/zinc/62/58/28/777625828.db2.gz YDVXBQHAXGYBDE-BZUAXINKSA-N 2 0 290.451 2.789 20 0 CFADRP c1cc(N2CCCC3(C[NH+](C4CCCC4)C3)C2)cc[nH+]1 ZINC001277693441 777626666 /nfs/dbraw/zinc/62/66/66/777626666.db2.gz GRRXRJZENBWREV-UHFFFAOYSA-N 2 0 271.408 2.926 20 0 CFADRP CNc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001232676229 777638334 /nfs/dbraw/zinc/63/83/34/777638334.db2.gz UTSDDVKMONAIDI-UHFFFAOYSA-N 2 0 296.418 2.754 20 0 CFADRP C[NH+](C)C1CCN(Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232817335 777679396 /nfs/dbraw/zinc/67/93/96/777679396.db2.gz DILGPXJIHPCSFR-UHFFFAOYSA-N 2 0 292.814 2.742 20 0 CFADRP CCN1CCC([N@H+](C)Cc2cccc(OCOC)c2)CC1 ZINC001233281726 777863101 /nfs/dbraw/zinc/86/31/01/777863101.db2.gz OATKWXATYHFCJF-UHFFFAOYSA-N 2 0 292.423 2.585 20 0 CFADRP CC(C)(C)OC1CC([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000341627206 777879846 /nfs/dbraw/zinc/87/98/46/777879846.db2.gz PRXBDDYCYLKVBZ-QQFBHYJXSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001168075912 777946577 /nfs/dbraw/zinc/94/65/77/777946577.db2.gz RVBBIZTXYREPTG-PVAVHDDUSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC001168090663 778016743 /nfs/dbraw/zinc/01/67/43/778016743.db2.gz GGNSJHBDTJOWAK-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001277808522 778080719 /nfs/dbraw/zinc/08/07/19/778080719.db2.gz YHFDRVBYUUACBF-ZACQAIPSSA-N 2 0 290.455 2.706 20 0 CFADRP CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277808597 778081619 /nfs/dbraw/zinc/08/16/19/778081619.db2.gz ZUXBXLQPQVHUHV-IAGOWNOFSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@@H](C)[N@@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277808599 778081641 /nfs/dbraw/zinc/08/16/41/778081641.db2.gz ZUXBXLQPQVHUHV-SJORKVTESA-N 2 0 281.488 2.525 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000697177106 778111066 /nfs/dbraw/zinc/11/10/66/778111066.db2.gz JYVKPGHHMUBVRR-RYUDHWBXSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001168171054 778205023 /nfs/dbraw/zinc/20/50/23/778205023.db2.gz UJJPOTGLXOMIAC-LEWSCRJBSA-N 2 0 252.789 2.740 20 0 CFADRP CC[N@@H+]1CCC[C@@H](Oc2cccc3c2CC[NH+](C)C3)C1 ZINC001234421955 778221834 /nfs/dbraw/zinc/22/18/34/778221834.db2.gz GAICLHDUUDVNIG-OAHLLOKOSA-N 2 0 274.408 2.538 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](Oc2cccc3c2CC[NH+](C)C3)C1 ZINC001234424458 778223431 /nfs/dbraw/zinc/22/34/31/778223431.db2.gz QFTMILXEDRXLRD-MRXNPFEDSA-N 2 0 288.435 2.926 20 0 CFADRP CCOCC[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277858088 778230863 /nfs/dbraw/zinc/23/08/63/778230863.db2.gz MTLJCIHELNNSDS-DLBZAZTESA-N 2 0 280.456 2.990 20 0 CFADRP CCC[NH+]1C[C@@H]2C[NH+](C3CCC(C)CC3)C[C@H]2C1 ZINC001168221777 778255965 /nfs/dbraw/zinc/25/59/65/778255965.db2.gz PBAWVHHBVCSJOW-LVDPKSTMSA-N 2 0 250.430 2.839 20 0 CFADRP CC[NH+](CC)CCCC[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168229905 778259725 /nfs/dbraw/zinc/25/97/25/778259725.db2.gz CSFLKMRIHCUJRF-QGZVFWFLSA-N 2 0 290.451 2.874 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001277881549 778293652 /nfs/dbraw/zinc/29/36/52/778293652.db2.gz ZPQCXVRYSHQVCE-KRWDZBQOSA-N 2 0 296.455 2.528 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000721251848 778294299 /nfs/dbraw/zinc/29/42/99/778294299.db2.gz CRQURDMDGDSALP-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CCn1ccc2c1cccc2CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235018895 778356084 /nfs/dbraw/zinc/35/60/84/778356084.db2.gz XRGYLKFXKULRCP-WMLDXEAASA-N 2 0 283.419 2.845 20 0 CFADRP Cc1cc(C)c(Cl)c(CN2CCC3(C[NH2+]C3)C2)c1 ZINC001235027185 778359665 /nfs/dbraw/zinc/35/96/65/778359665.db2.gz WHVQFYDVHOHHIB-UHFFFAOYSA-N 2 0 264.800 2.752 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235034068 778361720 /nfs/dbraw/zinc/36/17/20/778361720.db2.gz UEWOGIHYIZQVPJ-SFHVURJKSA-N 2 0 281.403 2.663 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235034511 778362367 /nfs/dbraw/zinc/36/23/67/778362367.db2.gz ZOLSVIHYUQQCNY-KRWDZBQOSA-N 2 0 258.409 2.743 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c1CCN2 ZINC001235038522 778363272 /nfs/dbraw/zinc/36/32/72/778363272.db2.gz NILOAMBGPIJMAB-GOSISDBHSA-N 2 0 285.435 2.763 20 0 CFADRP CC(C)C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235094225 778378594 /nfs/dbraw/zinc/37/85/94/778378594.db2.gz PBGKPQQYVMPAQV-UHFFFAOYSA-N 2 0 258.409 2.779 20 0 CFADRP CCOc1ccc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235095995 778379533 /nfs/dbraw/zinc/37/95/33/778379533.db2.gz YSAPRABQFAKXFC-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP Cc1cc(C)c(CN2CCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC001235112142 778384861 /nfs/dbraw/zinc/38/48/61/778384861.db2.gz WUIKZZGXEYIQGE-KRWDZBQOSA-N 2 0 258.409 2.940 20 0 CFADRP CNc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001235134254 778395356 /nfs/dbraw/zinc/39/53/56/778395356.db2.gz XPZGZJDBRMEYQQ-UHFFFAOYSA-N 2 0 273.424 2.694 20 0 CFADRP Nc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1F ZINC001235134076 778395564 /nfs/dbraw/zinc/39/55/64/778395564.db2.gz YNDXUCZMMQOLDP-UHFFFAOYSA-N 2 0 295.377 2.513 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235174549 778403274 /nfs/dbraw/zinc/40/32/74/778403274.db2.gz UEWABRORKAMYTN-SFHVURJKSA-N 2 0 293.499 2.907 20 0 CFADRP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235186282 778405515 /nfs/dbraw/zinc/40/55/15/778405515.db2.gz GQJPZQRLCYCDBD-PNBKFKSVSA-N 2 0 290.838 2.985 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC001168295222 778410929 /nfs/dbraw/zinc/41/09/29/778410929.db2.gz WZNQTXCOOBSTLE-JCYILVPMSA-N 2 0 276.424 2.573 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2CCC3(COC3)CC2)CC1 ZINC001168298259 778412100 /nfs/dbraw/zinc/41/21/00/778412100.db2.gz IQTBIZAHQJUENC-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@H]21 ZINC001235210023 778417132 /nfs/dbraw/zinc/41/71/32/778417132.db2.gz ITYZCTKITNWODH-FOLVSLTJSA-N 2 0 270.401 2.804 20 0 CFADRP C[NH+](C)C1CCC(n2cnc3cccc(C[NH3+])c32)CC1 ZINC001168303754 778417798 /nfs/dbraw/zinc/41/77/98/778417798.db2.gz BMUIDUGAAJFQTQ-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP C[NH+](C)C1CCC([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168305274 778419101 /nfs/dbraw/zinc/41/91/01/778419101.db2.gz GMVCGPNYMBTDGG-HFFNAHSWSA-N 3 0 293.499 2.841 20 0 CFADRP Cc1ccc(C2(C[NH2+]C3CCC([NH+](C)C)CC3)CC2)nc1 ZINC001168306124 778420022 /nfs/dbraw/zinc/42/00/22/778420022.db2.gz RCNHBILCYWVBPT-UHFFFAOYSA-N 2 0 287.451 2.884 20 0 CFADRP c1ccc2c(c1)n[nH]c2C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235228047 778421786 /nfs/dbraw/zinc/42/17/86/778421786.db2.gz HGCDRDLYCLWRCX-INIZCTEOSA-N 2 0 298.434 2.917 20 0 CFADRP c1cn2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)ccc2n1 ZINC001235226332 778422196 /nfs/dbraw/zinc/42/21/96/778422196.db2.gz CLIKFJFDLUYZND-KRWDZBQOSA-N 2 0 298.434 2.688 20 0 CFADRP c1cc2c(nccc2C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235229652 778422449 /nfs/dbraw/zinc/42/24/49/778422449.db2.gz RZWXKSAYZPFEKW-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2Cc3ccc(F)cc3C2)CC1 ZINC001168312479 778424074 /nfs/dbraw/zinc/42/40/74/778424074.db2.gz YXUSMBSSQCVUEQ-CGZBRXJRSA-N 2 0 276.399 2.755 20 0 CFADRP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001168314510 778425242 /nfs/dbraw/zinc/42/52/42/778425242.db2.gz MCBKAYOIZFXTQY-PJPHBNEVSA-N 2 0 250.430 2.981 20 0 CFADRP FCc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235238727 778426619 /nfs/dbraw/zinc/42/66/19/778426619.db2.gz HIVACAQGMIAXMG-QGZVFWFLSA-N 2 0 291.414 2.905 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)sn1 ZINC001235237931 778427048 /nfs/dbraw/zinc/42/70/48/778427048.db2.gz FHWDLGIOLRNABS-HNNXBMFYSA-N 2 0 279.453 2.806 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCCc1ccccc1)C2 ZINC001235241027 778428107 /nfs/dbraw/zinc/42/81/07/778428107.db2.gz POECVJIHJJZWAG-IAGOWNOFSA-N 2 0 258.409 2.823 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(O)c3ccccc13)C2 ZINC001235241069 778428366 /nfs/dbraw/zinc/42/83/66/778428366.db2.gz RLRGBUATTIZXDZ-RDTXWAMCSA-N 2 0 282.387 2.859 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001168324345 778431776 /nfs/dbraw/zinc/43/17/76/778431776.db2.gz MKOYEAWGXYYBAB-UNXYVOJBSA-N 2 0 264.335 2.743 20 0 CFADRP CC(C)OC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324235 778431973 /nfs/dbraw/zinc/43/19/73/778431973.db2.gz LJXFVAKFRSXHMV-UHFFFAOYSA-N 2 0 268.445 2.749 20 0 CFADRP CC[NH+](CC)C1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324699 778432363 /nfs/dbraw/zinc/43/23/63/778432363.db2.gz VHWJQUQSZQGKDF-UHFFFAOYSA-N 3 0 281.488 2.665 20 0 CFADRP CCOC(=O)[C@@]1(C)CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168327376 778434455 /nfs/dbraw/zinc/43/44/55/778434455.db2.gz LEVHUWRBOBVXMQ-DQPZFDDXSA-N 2 0 296.455 2.524 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)C1CCC([NH+](C)C)CC1 ZINC001168328284 778434649 /nfs/dbraw/zinc/43/46/49/778434649.db2.gz DCSPODFPEUELLS-UHFFFAOYSA-N 3 0 269.477 2.523 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001168328131 778434746 /nfs/dbraw/zinc/43/47/46/778434746.db2.gz WQYSGWPXYGSNPL-KLAILNCOSA-N 2 0 280.456 2.608 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235261137 778436726 /nfs/dbraw/zinc/43/67/26/778436726.db2.gz OXTCPRQNBNZINM-PVGHXWSTSA-N 2 0 274.452 2.887 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1C ZINC001235270822 778440054 /nfs/dbraw/zinc/44/00/54/778440054.db2.gz NIMDZXRWUJFLKP-RDJZCZTQSA-N 2 0 288.435 2.804 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235273298 778441301 /nfs/dbraw/zinc/44/13/01/778441301.db2.gz RFTDRIXDSUUJBE-IAGOWNOFSA-N 2 0 258.409 2.823 20 0 CFADRP C(C[NH+]1CCC(C2C[NH2+]C2)CC1)C1CCCCC1 ZINC001235335533 778458050 /nfs/dbraw/zinc/45/80/50/778458050.db2.gz OOEQFXDDPIHZSU-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@@H](C4C[NH2+]C4)C3)c21 ZINC001235339135 778459492 /nfs/dbraw/zinc/45/94/92/778459492.db2.gz DFHCFEYJLVDSIV-LLVKDONJSA-N 2 0 289.810 2.863 20 0 CFADRP CCc1cccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235341045 778460628 /nfs/dbraw/zinc/46/06/28/778460628.db2.gz ZAUYNNNQPLSGIL-UHFFFAOYSA-N 2 0 258.409 2.680 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)CC(C)(C)C ZINC001235369497 778470739 /nfs/dbraw/zinc/47/07/39/778470739.db2.gz RNAAZNFWPOXKHI-BVIKNXMNSA-N 2 0 294.483 2.902 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC000721255887 778475344 /nfs/dbraw/zinc/47/53/44/778475344.db2.gz TWTMEPGWLVDTJX-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](OCC)C2)CC1 ZINC000721255865 778475614 /nfs/dbraw/zinc/47/56/14/778475614.db2.gz SVHBHVYZBSXJLH-CVEARBPZSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1 ZINC001235400782 778476471 /nfs/dbraw/zinc/47/64/71/778476471.db2.gz FELJZWBHAUVCTL-DLBZAZTESA-N 2 0 276.399 2.827 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1C ZINC001235406111 778478768 /nfs/dbraw/zinc/47/87/68/778478768.db2.gz PVBQYEUKIGEDIV-SJORKVTESA-N 2 0 276.399 2.827 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235405428 778478960 /nfs/dbraw/zinc/47/89/60/778478960.db2.gz OSPLGMTWTFQPDI-SJORKVTESA-N 2 0 276.399 2.827 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235407326 778479803 /nfs/dbraw/zinc/47/98/03/778479803.db2.gz RGAHVHHYHZPKAF-SJORKVTESA-N 2 0 276.399 2.773 20 0 CFADRP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](CCC1CCCC1)C2 ZINC001235409032 778479889 /nfs/dbraw/zinc/47/98/89/778479889.db2.gz VRKFYKWRYLNSEI-GJZGRUSLSA-N 2 0 254.393 2.590 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1C ZINC001235410492 778481439 /nfs/dbraw/zinc/48/14/39/778481439.db2.gz YFURJWKEIMFWTH-IAGOWNOFSA-N 2 0 276.399 2.827 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000721256786 778493414 /nfs/dbraw/zinc/49/34/14/778493414.db2.gz WWKRTOPWNLDJJV-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C1CC[NH2+]CC1 ZINC001235465269 778498752 /nfs/dbraw/zinc/49/87/52/778498752.db2.gz IQXNLTRAXKBYRZ-UHFFFAOYSA-N 2 0 288.435 2.974 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235664713 778530434 /nfs/dbraw/zinc/53/04/34/778530434.db2.gz KVDBUVZNKQUQAJ-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP CCCC[N@H+](CCC)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235663060 778530765 /nfs/dbraw/zinc/53/07/65/778530765.db2.gz QBHILIILSMKDLO-UHFFFAOYSA-N 2 0 290.455 2.503 20 0 CFADRP C[N@H+](CCOc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235673493 778531426 /nfs/dbraw/zinc/53/14/26/778531426.db2.gz AJZPVQSRKMQVOK-UHFFFAOYSA-N 2 0 296.414 2.843 20 0 CFADRP CC1(C)CCc2cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)ccc2O1 ZINC001235672926 778531673 /nfs/dbraw/zinc/53/16/73/778531673.db2.gz JIAUCWLRRCHHLY-OAHLLOKOSA-N 2 0 288.435 2.961 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC001235675650 778532354 /nfs/dbraw/zinc/53/23/54/778532354.db2.gz QOEHFRAZVWVJJB-UHFFFAOYSA-N 2 0 280.387 2.546 20 0 CFADRP CCCCCC[NH+]1CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235690725 778538386 /nfs/dbraw/zinc/53/83/86/778538386.db2.gz CGGPONXFOZCORG-KRWDZBQOSA-N 2 0 281.488 2.717 20 0 CFADRP CCC[C@H]1CCCC[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235694773 778540345 /nfs/dbraw/zinc/54/03/45/778540345.db2.gz UCWOIMZEXMEBNX-AWEZNQCLSA-N 2 0 261.413 2.746 20 0 CFADRP c1ccc(OCC[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235701215 778541712 /nfs/dbraw/zinc/54/17/12/778541712.db2.gz FRDNEXUNCQPRIT-UHFFFAOYSA-N 2 0 288.435 2.777 20 0 CFADRP c1ccc(OC2CN(Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235706196 778543296 /nfs/dbraw/zinc/54/32/96/778543296.db2.gz SPRFXMWVXMXAMP-UHFFFAOYSA-N 2 0 294.398 2.596 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712406 778544569 /nfs/dbraw/zinc/54/45/69/778544569.db2.gz CJKLROMHWANDKD-UHFFFAOYSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)CCCC[NH3+] ZINC001235718466 778546554 /nfs/dbraw/zinc/54/65/54/778546554.db2.gz IICNXPQOZKCXML-FUHWJXTLSA-N 2 0 289.467 2.568 20 0 CFADRP COc1ccc([C@H]2CSCC[N@@H+]2CCCC[NH3+])cc1 ZINC001235725129 778547941 /nfs/dbraw/zinc/54/79/41/778547941.db2.gz HGFWTQRWMYBHFL-OAHLLOKOSA-N 2 0 280.437 2.524 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1F ZINC001235799900 778561799 /nfs/dbraw/zinc/56/17/99/778561799.db2.gz OCWBURPCZHORLW-CABCVRRESA-N 2 0 292.398 2.608 20 0 CFADRP C[Si](C)(C)C[N@H+](Cc1c[nH+]c(N)[nH]1)Cc1ccccc1 ZINC001235825029 778568792 /nfs/dbraw/zinc/56/87/92/778568792.db2.gz GXTFRESEQFNVLC-UHFFFAOYSA-N 2 0 288.471 2.872 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c(C)c1Cl ZINC001235839856 778574816 /nfs/dbraw/zinc/57/48/16/778574816.db2.gz AWFAYMSBBVUDAL-CYBMUJFWSA-N 2 0 266.816 2.998 20 0 CFADRP CC1=CC[C@H](CC[N@@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC001235840812 778576270 /nfs/dbraw/zinc/57/62/70/778576270.db2.gz ASQFCYMUCCJTJT-LSDHHAIUSA-N 2 0 250.430 2.910 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCCC2)C[C@@H]1CC[NH2+]C1 ZINC001235841747 778577252 /nfs/dbraw/zinc/57/72/52/778577252.db2.gz IRSVYVPLIDMYFE-CQSZACIVSA-N 2 0 258.409 2.607 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001235864808 778584757 /nfs/dbraw/zinc/58/47/57/778584757.db2.gz VZXDXKYSMOBIGR-UHFFFAOYSA-N 2 0 264.388 2.819 20 0 CFADRP CC(C)=CCCC1=CC[C@H](CN(CC[NH3+])CC[NH3+])CC1 ZINC001235876678 778587678 /nfs/dbraw/zinc/58/76/78/778587678.db2.gz HMWARPBJJUGFBQ-KRWDZBQOSA-N 2 0 279.472 2.679 20 0 CFADRP COc1cc(C)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001235889198 778591390 /nfs/dbraw/zinc/59/13/90/778591390.db2.gz YFJVGYGWXQAPII-GOSISDBHSA-N 2 0 288.435 2.968 20 0 CFADRP CCSCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000160068341 778591658 /nfs/dbraw/zinc/59/16/58/778591658.db2.gz PCPLVMAZQSDPBH-FUDCBSFHSA-N 2 0 256.459 2.733 20 0 CFADRP COC(=O)[C@]1(C)CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235889439 778591994 /nfs/dbraw/zinc/59/19/94/778591994.db2.gz WIWZYAYAJQAQKP-QGZVFWFLSA-N 2 0 296.455 2.574 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001235893416 778594038 /nfs/dbraw/zinc/59/40/38/778594038.db2.gz OZWRNOXMTRTANV-AEFFLSMTSA-N 2 0 299.462 2.861 20 0 CFADRP COC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)[C@@H]1C ZINC001235892478 778594120 /nfs/dbraw/zinc/59/41/20/778594120.db2.gz RKIVMMBQJZIMCH-ZBFHGGJFSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235928554 778612248 /nfs/dbraw/zinc/61/22/48/778612248.db2.gz ALPYICJCAICRPB-ARFHVFGLSA-N 2 0 250.430 2.910 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC001235929348 778613494 /nfs/dbraw/zinc/61/34/94/778613494.db2.gz MKMYAWWQACGZSK-JKSUJKDBSA-N 2 0 272.436 2.896 20 0 CFADRP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235930443 778613765 /nfs/dbraw/zinc/61/37/65/778613765.db2.gz WWIBHMJEPMBHSN-HWMZRRJGSA-N 2 0 290.838 2.985 20 0 CFADRP CSc1cc(C)cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235937373 778618254 /nfs/dbraw/zinc/61/82/54/778618254.db2.gz PTHSTZIKHZJUJP-CABCVRRESA-N 2 0 276.449 2.758 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235941595 778619226 /nfs/dbraw/zinc/61/92/26/778619226.db2.gz VZYZDLAYBPRLHU-ROUUACIJSA-N 2 0 270.420 2.995 20 0 CFADRP Clc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c21 ZINC001235940343 778619248 /nfs/dbraw/zinc/61/92/48/778619248.db2.gz SLWWNQIKMHKVJF-VXGBXAGGSA-N 2 0 289.810 2.863 20 0 CFADRP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235942944 778620619 /nfs/dbraw/zinc/62/06/19/778620619.db2.gz YTOQHZSVOAXEDJ-HZPDHXFCSA-N 2 0 288.435 2.662 20 0 CFADRP FC1(C[N@@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]CC1 ZINC001235949372 778624286 /nfs/dbraw/zinc/62/42/86/778624286.db2.gz HGQGGAXSBWSYKK-HNNXBMFYSA-N 2 0 268.420 2.980 20 0 CFADRP CCc1ccc(C[N@H+](C)Cc2ccc3n2CC[NH2+]C3)cc1 ZINC001235959852 778628209 /nfs/dbraw/zinc/62/82/09/778628209.db2.gz LRMHTCCQROYQAX-UHFFFAOYSA-N 2 0 283.419 2.786 20 0 CFADRP C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC1CCCC1 ZINC001235958607 778628287 /nfs/dbraw/zinc/62/82/87/778628287.db2.gz MOEXJMQFMLUTCN-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP CCc1ccc(C[N@H+](C)CC2(F)CC[NH2+]CC2)cc1 ZINC001235958968 778628743 /nfs/dbraw/zinc/62/87/43/778628743.db2.gz DJZDOLBJYDHWIV-UHFFFAOYSA-N 2 0 264.388 2.773 20 0 CFADRP c1ccc2c(c1)C[N@@H+](CC1CCC1)CC21CC[NH2+]CC1 ZINC001235975283 778635373 /nfs/dbraw/zinc/63/53/73/778635373.db2.gz ZDXKLOCEQHBXEI-UHFFFAOYSA-N 2 0 270.420 2.924 20 0 CFADRP Clc1ccc(O[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC001235974440 778635632 /nfs/dbraw/zinc/63/56/32/778635632.db2.gz ROOLFYKDNSBAQM-XJKSGUPXSA-N 2 0 294.826 2.793 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981654 778638725 /nfs/dbraw/zinc/63/87/25/778638725.db2.gz WXDOVTHLZGSQKJ-WBVHZDCISA-N 2 0 296.455 2.703 20 0 CFADRP CCOc1cc(C)ccc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236004779 778651050 /nfs/dbraw/zinc/65/10/50/778651050.db2.gz FJVHIDVHWALFTE-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC001236009330 778653890 /nfs/dbraw/zinc/65/38/90/778653890.db2.gz RSFJRKXECFHAFK-HOTGVXAUSA-N 2 0 276.399 2.690 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236072188 778681495 /nfs/dbraw/zinc/68/14/95/778681495.db2.gz PHLRFWXSXLKOQI-WMLDXEAASA-N 2 0 258.409 2.965 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001236086206 778685701 /nfs/dbraw/zinc/68/57/01/778685701.db2.gz FZJBTIPNYZMQBZ-UHFFFAOYSA-N 2 0 272.314 2.802 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC001168371778 778686547 /nfs/dbraw/zinc/68/65/47/778686547.db2.gz IKIHZTOHQKHJCI-HZPDHXFCSA-N 2 0 262.441 2.983 20 0 CFADRP c1cc2c(cc1C[NH+]1CC3CCC(CC3)C1)C[NH2+]CC2 ZINC001236092588 778687799 /nfs/dbraw/zinc/68/77/99/778687799.db2.gz MPVSQYMRMCFTTD-UHFFFAOYSA-N 2 0 270.420 2.954 20 0 CFADRP COc1cc(C)c(CN2CCC[NH2+][C@@H](C)C2)c(C)c1C ZINC001236095577 778689801 /nfs/dbraw/zinc/68/98/01/778689801.db2.gz WUAFYXQTTLIIAE-ZDUSSCGKSA-N 2 0 276.424 2.804 20 0 CFADRP C[C@H]([NH3+])c1ccccc1-c1cnn(CCC[NH+](C)C)c1 ZINC001236152865 778719364 /nfs/dbraw/zinc/71/93/64/778719364.db2.gz JVZHXOKDIPMTDH-ZDUSSCGKSA-N 2 0 272.396 2.522 20 0 CFADRP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1CCC1C[NH2+]C1 ZINC001236189757 778730808 /nfs/dbraw/zinc/73/08/08/778730808.db2.gz MVXGRRWCCKHDKE-QGZVFWFLSA-N 2 0 269.392 2.914 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236190086 778731592 /nfs/dbraw/zinc/73/15/92/778731592.db2.gz DUZGPTULHCCOCA-MRXNPFEDSA-N 2 0 257.381 2.914 20 0 CFADRP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1CC1C[NH2+]C1 ZINC001236190957 778731619 /nfs/dbraw/zinc/73/16/19/778731619.db2.gz IIRBXVACAFVWCK-INIZCTEOSA-N 2 0 255.365 2.524 20 0 CFADRP CCOc1cc2c(cc1OCC)C[N@H+](CCCC[NH3+])CC2 ZINC001236190273 778731750 /nfs/dbraw/zinc/73/17/50/778731750.db2.gz RTNYGAATBQFFSF-UHFFFAOYSA-N 2 0 292.423 2.581 20 0 CFADRP CN(CCC[NH2+]C1CCCCC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216072 778740567 /nfs/dbraw/zinc/74/05/67/778740567.db2.gz ZABGJWUEJYLEHZ-JKSUJKDBSA-N 2 0 267.461 2.501 20 0 CFADRP Cn1ccc2c1cccc2C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217417 778741583 /nfs/dbraw/zinc/74/15/83/778741583.db2.gz OZQAKPISEVNYDK-WBVHZDCISA-N 2 0 271.408 2.880 20 0 CFADRP [NH3+]C12CC(CCN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)(C1)C2 ZINC001236268472 778758212 /nfs/dbraw/zinc/75/82/12/778758212.db2.gz FCBFSUUFSIUNNF-VIQWUECVSA-N 2 0 299.462 2.512 20 0 CFADRP CN(CC[C@@H]1CCCC[NH2+]1)CC[N@H+](C)Cc1ccccc1 ZINC001236308683 778770505 /nfs/dbraw/zinc/77/05/05/778770505.db2.gz WPKIXJIVUKIPRX-SFHVURJKSA-N 2 0 289.467 2.582 20 0 CFADRP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314782 778773925 /nfs/dbraw/zinc/77/39/25/778773925.db2.gz HGMLCZODFCMZEO-IYBDPMFKSA-N 2 0 258.409 2.735 20 0 CFADRP CCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315215 778774437 /nfs/dbraw/zinc/77/44/37/778774437.db2.gz WFCWEHXQJKCADL-GASCZTMLSA-N 2 0 274.408 2.517 20 0 CFADRP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236315796 778775290 /nfs/dbraw/zinc/77/52/90/778775290.db2.gz NXGNYTZLRCGOJZ-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP COc1ccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c2c1 ZINC001236317476 778776860 /nfs/dbraw/zinc/77/68/60/778776860.db2.gz YBJMWVGBQFVTTL-OKILXGFUSA-N 2 0 299.418 2.608 20 0 CFADRP COc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236320153 778777309 /nfs/dbraw/zinc/77/73/09/778777309.db2.gz DQUDNQOHMWPMSB-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP c1ccc(C2CC2)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236319775 778778170 /nfs/dbraw/zinc/77/81/70/778778170.db2.gz FSAZVUGIMFVRKR-IYBDPMFKSA-N 2 0 270.420 2.995 20 0 CFADRP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392645 778780062 /nfs/dbraw/zinc/78/00/62/778780062.db2.gz REEKOWBHLREGRE-UONOGXRCSA-N 2 0 250.430 2.981 20 0 CFADRP C(CN(C[C@H]1CCC[NH2+]C1)C1CCCC1)[C@H]1CCCC[NH2+]1 ZINC001236369730 778794661 /nfs/dbraw/zinc/79/46/61/778794661.db2.gz CGBDTANQEHWWJI-DLBZAZTESA-N 2 0 293.499 2.763 20 0 CFADRP [NH3+]CCCCCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373881 778795967 /nfs/dbraw/zinc/79/59/67/778795967.db2.gz MPMMFVHHPPPDAK-MRXNPFEDSA-N 3 0 281.488 2.750 20 0 CFADRP C[N@H+](Cc1cccc2c(F)cccc12)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417039 778810638 /nfs/dbraw/zinc/81/06/38/778810638.db2.gz WLAWXCWDQKLSCV-QLPKVWCKSA-N 2 0 270.351 2.629 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2cc(C3C[NH2+]C3)ncn2)cc1 ZINC001236430196 778825055 /nfs/dbraw/zinc/82/50/55/778825055.db2.gz ZLUGYASBAPSAIX-UHFFFAOYSA-N 2 0 296.418 2.576 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CC[C@](F)(C[NH3+])C2)C1(C)C ZINC001236436582 778828293 /nfs/dbraw/zinc/82/82/93/778828293.db2.gz YTASKONSKNWHBI-HIFRSBDPSA-N 2 0 254.393 2.742 20 0 CFADRP [NH3+]CCCCCC[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541991 778871693 /nfs/dbraw/zinc/87/16/93/778871693.db2.gz RTLFRRZUKLAHHN-QAQDUYKDSA-N 3 0 281.488 2.878 20 0 CFADRP C(CN([C@H]1CC[NH2+]C1)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC001236648390 778903370 /nfs/dbraw/zinc/90/33/70/778903370.db2.gz RDJCPAHXCAKMRX-RDJZCZTQSA-N 2 0 279.472 2.515 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@H]12 ZINC001236817276 778952042 /nfs/dbraw/zinc/95/20/42/778952042.db2.gz AUAUNUDPZGGUSA-VHRBIJSZSA-N 2 0 289.810 2.990 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001236832898 778958279 /nfs/dbraw/zinc/95/82/79/778958279.db2.gz XIEMYOMFNPFOPN-BBWFWOEESA-N 2 0 258.409 2.808 20 0 CFADRP CCC[N@@H+](Cc1cccc(F)c1C)C[C@H]1CC[NH2+]C1 ZINC001236833984 778959882 /nfs/dbraw/zinc/95/98/82/778959882.db2.gz DVRBVONGKSATHU-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(ccn2C)c1)C[C@H]1CC[NH2+]C1 ZINC001236836873 778961214 /nfs/dbraw/zinc/96/12/14/778961214.db2.gz YVXFBXADJVKTIJ-INIZCTEOSA-N 2 0 285.435 3.000 20 0 CFADRP CCOc1ccc2[nH]cc(CN(C)C[C@@H]([NH3+])CC)c2c1 ZINC001236868584 778968920 /nfs/dbraw/zinc/96/89/20/778968920.db2.gz NSDZTTRBGJGXGN-ZDUSSCGKSA-N 2 0 275.396 2.736 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1cc(OC)ccc1-c1ccncc1 ZINC001236884975 778972494 /nfs/dbraw/zinc/97/24/94/778972494.db2.gz WPILVBQMNRLINK-INIZCTEOSA-N 2 0 299.418 2.926 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236888975 778973517 /nfs/dbraw/zinc/97/35/17/778973517.db2.gz UEGZSRJYOHSXOV-MRXNPFEDSA-N 2 0 287.451 2.813 20 0 CFADRP C[NH+]1CCN(c2cccc(C[NH+]3CCC4(CC4)CC3)c2)CC1 ZINC001236887377 778973632 /nfs/dbraw/zinc/97/36/32/778973632.db2.gz KKHHDUCPRVETLJ-UHFFFAOYSA-N 2 0 299.462 2.814 20 0 CFADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)NCCC2 ZINC001237080686 779006056 /nfs/dbraw/zinc/00/60/56/779006056.db2.gz BJHNNEOJSKJKKR-ZXFUBFMLSA-N 2 0 285.435 2.746 20 0 CFADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH2+]C1CCCCC1 ZINC001237081787 779006116 /nfs/dbraw/zinc/00/61/16/779006116.db2.gz MLLUQMDQIJZSOG-ZXFUBFMLSA-N 3 0 279.472 2.501 20 0 CFADRP Cc1cc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)ccc1O ZINC001237154103 779028652 /nfs/dbraw/zinc/02/86/52/779028652.db2.gz JEKBUGNVUBBFLI-INIZCTEOSA-N 2 0 274.408 2.807 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168433135 779040558 /nfs/dbraw/zinc/04/05/58/779040558.db2.gz VSDSIMSEIOIGHA-SOLBZPMBSA-N 2 0 288.410 2.567 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237187195 779042321 /nfs/dbraw/zinc/04/23/21/779042321.db2.gz YHAQROCGZFPVAL-UHFFFAOYSA-N 2 0 289.404 2.594 20 0 CFADRP Fc1cccc2c1CC[C@@]21CCC[N@H+](CCC2C[NH2+]C2)C1 ZINC001237190148 779044441 /nfs/dbraw/zinc/04/44/41/779044441.db2.gz ZQZWHMOWUVZAJQ-GOSISDBHSA-N 2 0 288.410 2.715 20 0 CFADRP Clc1ccc2c(c1)[C@H]1C[N@@H+](CCC3C[NH2+]C3)CC[C@@H]1N2 ZINC001237232144 779056629 /nfs/dbraw/zinc/05/66/29/779056629.db2.gz IHKWUJZJYMZGAE-ZBFHGGJFSA-N 2 0 291.826 2.533 20 0 CFADRP C[N@H+](CC1(C)CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC001237258927 779060562 /nfs/dbraw/zinc/06/05/62/779060562.db2.gz RIGBRCIAOATCPG-INIZCTEOSA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237382166 779088123 /nfs/dbraw/zinc/08/81/23/779088123.db2.gz LZDZSFGRISHFOX-DLBZAZTESA-N 2 0 288.435 2.702 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)NCCC2 ZINC001237410380 779100949 /nfs/dbraw/zinc/10/09/49/779100949.db2.gz CMNCKJDYMUBDKG-SJORKVTESA-N 2 0 285.435 2.619 20 0 CFADRP CCOc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)ccc1C ZINC001237413045 779102325 /nfs/dbraw/zinc/10/23/25/779102325.db2.gz IRSBZFVWVXIWNO-DLBZAZTESA-N 2 0 288.435 2.968 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)nc2Cl)CC1 ZINC000688588244 779138091 /nfs/dbraw/zinc/13/80/91/779138091.db2.gz YMWBTLBWPFBWPP-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001121991186 779150437 /nfs/dbraw/zinc/15/04/37/779150437.db2.gz MXLYJSGWQUYYBH-MRXNPFEDSA-N 2 0 297.487 2.522 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1C ZINC001205093679 779162598 /nfs/dbraw/zinc/16/25/98/779162598.db2.gz DSMWJJFIRWNJKY-HNNXBMFYSA-N 2 0 262.397 2.625 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205095084 779172265 /nfs/dbraw/zinc/17/22/65/779172265.db2.gz UMVLXFPTKUOBMP-OAHLLOKOSA-N 2 0 262.397 2.787 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001205110084 779234048 /nfs/dbraw/zinc/23/40/48/779234048.db2.gz OETAUWMRTVLNCA-ZDUSSCGKSA-N 2 0 254.324 2.937 20 0 CFADRP CCN(CC[NH+]1CCCCC1)Cc1cccc2c[nH+]cn21 ZINC001238118264 779257427 /nfs/dbraw/zinc/25/74/27/779257427.db2.gz IQCTXZWNWMCGDE-UHFFFAOYSA-N 2 0 286.423 2.642 20 0 CFADRP CC(C)[N@H+](Cc1cccc2c[nH+]cn21)C1CCOCC1 ZINC001238115261 779258402 /nfs/dbraw/zinc/25/84/02/779258402.db2.gz GWTBMEMZOAWGBV-UHFFFAOYSA-N 2 0 273.380 2.724 20 0 CFADRP Cc1cc(CN2CCC[C@H]([NH3+])CC2)c(Cl)nc1C ZINC001205130613 779284988 /nfs/dbraw/zinc/28/49/88/779284988.db2.gz KMDJZCZCQHTQOK-ZDUSSCGKSA-N 2 0 267.804 2.665 20 0 CFADRP CC(C)(CC[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1)c1ccccc1 ZINC001235025567 779304631 /nfs/dbraw/zinc/30/46/31/779304631.db2.gz FMAPIPZMJMSHKL-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP Cc1cccnc1CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715255370 779352038 /nfs/dbraw/zinc/35/20/38/779352038.db2.gz PCYVZECPFVJRHJ-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150821 779352274 /nfs/dbraw/zinc/35/22/74/779352274.db2.gz KWJBGLKZPWYKQP-QWHCGFSZSA-N 2 0 266.816 2.983 20 0 CFADRP Cc1ccc(F)cc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717354 779368659 /nfs/dbraw/zinc/36/86/59/779368659.db2.gz RPVNHGVBANUKBI-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP c1cc(C2=CCC[NH2+]CC2)ccc1COC1CC[NH2+]CC1 ZINC001238947312 779424176 /nfs/dbraw/zinc/42/41/76/779424176.db2.gz NNFATSWUYKTLNI-UHFFFAOYSA-N 2 0 286.419 2.722 20 0 CFADRP C[N@@H+]1CC[C@@H](c2ccc(C3=CCC[NH2+]CC3)cc2)C1 ZINC001238950750 779425001 /nfs/dbraw/zinc/42/50/01/779425001.db2.gz PYPSVQCXRXEMHS-QGZVFWFLSA-N 2 0 256.393 2.873 20 0 CFADRP CC(C)n1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001239069788 779456842 /nfs/dbraw/zinc/45/68/42/779456842.db2.gz JQHCMUVYNZJZMC-UHFFFAOYSA-N 2 0 270.380 2.541 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc3c(c2)[C@H]([NH3+])CC3)cn1 ZINC001239215953 779477206 /nfs/dbraw/zinc/47/72/06/779477206.db2.gz HYWBRGVHAPMCNJ-GOSISDBHSA-N 2 0 298.434 2.838 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236835662 779645545 /nfs/dbraw/zinc/64/55/45/779645545.db2.gz OOQPMFFOUUOJMH-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH+](C)Cc1ccnc(-c2ccccc2C[NH+](C)C)c1 ZINC001239682333 779707925 /nfs/dbraw/zinc/70/79/25/779707925.db2.gz IQFVWJFGOPTDCB-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP [NH3+]CCc1ccccc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168548981 779934640 /nfs/dbraw/zinc/93/46/40/779934640.db2.gz QXDSTMMJOXXVCV-OAHLLOKOSA-N 2 0 281.403 2.772 20 0 CFADRP Cc1nn(C)c(C)c1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001240144911 779966590 /nfs/dbraw/zinc/96/65/90/779966590.db2.gz KTNPOWVVSOYZNR-UHFFFAOYSA-N 2 0 298.434 2.627 20 0 CFADRP C[NH+](C)/C=C/c1ccncc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168602523 780032827 /nfs/dbraw/zinc/03/28/27/780032827.db2.gz RDAHHFFZCRZYCF-BCWDTRBQSA-N 2 0 288.439 2.899 20 0 CFADRP Cc1nn(C)cc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001240303238 780060458 /nfs/dbraw/zinc/06/04/58/780060458.db2.gz ZGKAKKDNEAACJZ-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCOCc2ccccc2)CC1 ZINC000715539134 780108220 /nfs/dbraw/zinc/10/82/20/780108220.db2.gz BHGAYPUZHADDSB-UHFFFAOYSA-N 2 0 276.424 2.666 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2ncnc3c2C[NH2+]CC3)cc1 ZINC001240360324 780113611 /nfs/dbraw/zinc/11/36/11/780113611.db2.gz LCPRIQKHTBEXEA-UHFFFAOYSA-N 2 0 296.418 2.677 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2ncnc3c2C[NH2+]C3)cc1 ZINC001240361549 780113891 /nfs/dbraw/zinc/11/38/91/780113891.db2.gz YZIGBZCEQJVOBF-UHFFFAOYSA-N 2 0 282.391 2.635 20 0 CFADRP c1cc2cc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)ccc2o1 ZINC001240425536 780157391 /nfs/dbraw/zinc/15/73/91/780157391.db2.gz DLYYOKKPASGDQS-UHFFFAOYSA-N 2 0 279.343 2.904 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000715582358 780174138 /nfs/dbraw/zinc/17/41/38/780174138.db2.gz ZZTWBMDVAHCQHC-SEEARECTSA-N 2 0 274.408 2.842 20 0 CFADRP c1cnc(-c2ccc3c(c2)CC[NH2+]C3)c(C[NH+]2CCCC2)c1 ZINC001240455337 780176795 /nfs/dbraw/zinc/17/67/95/780176795.db2.gz JXHNRDNEMDTSBY-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP COc1cc(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)c1OC ZINC001205033388 780198602 /nfs/dbraw/zinc/19/86/02/780198602.db2.gz DQYGHROYBFWFRH-UHFFFAOYSA-N 2 0 298.814 2.528 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168680967 780315226 /nfs/dbraw/zinc/31/52/26/780315226.db2.gz YFOIOQLUQCRQKY-YNEHKIRRSA-N 2 0 264.800 2.667 20 0 CFADRP c1cc(C2=CCC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC001240669132 780342489 /nfs/dbraw/zinc/34/24/89/780342489.db2.gz JJJQUAKLOFEEHC-UHFFFAOYSA-N 2 0 272.392 2.538 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C12CCC2 ZINC000453184165 780419929 /nfs/dbraw/zinc/41/99/29/780419929.db2.gz ZPMBQGXTKUHVPI-IXDOHACOSA-N 2 0 294.483 2.902 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000453262326 780428627 /nfs/dbraw/zinc/42/86/27/780428627.db2.gz XVHSFJXZRVFVOZ-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000453262886 780429710 /nfs/dbraw/zinc/42/97/10/780429710.db2.gz XVHSFJXZRVFVOZ-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccnc3c(F)cccc23)CC1 ZINC001205046736 780465854 /nfs/dbraw/zinc/46/58/54/780465854.db2.gz KVVWBEJVRMVQRY-UHFFFAOYSA-N 2 0 273.355 2.545 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001205047060 780472168 /nfs/dbraw/zinc/47/21/68/780472168.db2.gz OEKUOCRSQBRQNF-UHFFFAOYSA-N 2 0 281.403 2.919 20 0 CFADRP C(c1ccc(OCC[NH+]2CCCC2)cc1)=C1CC[NH2+]CC1 ZINC001240878392 780497552 /nfs/dbraw/zinc/49/75/52/780497552.db2.gz HIWHXCVUOWXQPW-UHFFFAOYSA-N 2 0 286.419 2.928 20 0 CFADRP C[N@@H+]1CCc2c(F)cc(C=C3CC[NH2+]CC3)cc2C1 ZINC001240879506 780498674 /nfs/dbraw/zinc/49/86/74/780498674.db2.gz UIDBWYMXIVLYRM-UHFFFAOYSA-N 2 0 260.356 2.580 20 0 CFADRP COc1c(C)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1C ZINC001241016160 780594567 /nfs/dbraw/zinc/59/45/67/780594567.db2.gz BWVRISYXVGGYPC-UHFFFAOYSA-N 2 0 297.402 2.784 20 0 CFADRP Fc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1Cl ZINC001241231956 780719566 /nfs/dbraw/zinc/71/95/66/780719566.db2.gz PUEVMOUELKAAAE-UHFFFAOYSA-N 2 0 291.757 2.951 20 0 CFADRP CSC(C)(C)CC[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700787344 780719945 /nfs/dbraw/zinc/71/99/45/780719945.db2.gz LCYCOEGBHTZHAL-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP C[N@H+]1CC=C(c2cc(C[NH+]3CCCCC3)ccn2)CC1 ZINC001241311486 780773882 /nfs/dbraw/zinc/77/38/82/780773882.db2.gz WQYQRZSRXBOEGB-UHFFFAOYSA-N 2 0 271.408 2.786 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC000701478673 780806504 /nfs/dbraw/zinc/80/65/04/780806504.db2.gz WKCYDIXYNXDRSV-UHFFFAOYSA-N 2 0 280.387 2.695 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000702001879 780866841 /nfs/dbraw/zinc/86/68/41/780866841.db2.gz GNCYTFNFMZSLHC-HUUCEWRRSA-N 2 0 273.405 2.856 20 0 CFADRP CC[NH+](CC)Cc1ccncc1C1=CCC[N@H+](C)C1 ZINC001241571904 780989936 /nfs/dbraw/zinc/98/99/36/780989936.db2.gz KUSRBOMSRLZWLS-UHFFFAOYSA-N 2 0 259.397 2.642 20 0 CFADRP C[N@@H+]1CC[C@@H](c2ccc(C3=CCC[NH+](C)C3)cc2)C1 ZINC001241571766 780989765 /nfs/dbraw/zinc/98/97/65/780989765.db2.gz IJOHTHPFFVZTKF-QGZVFWFLSA-N 2 0 256.393 2.825 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2ncc3c(n2)C[NH2+]C3)cc1 ZINC001241574154 780991458 /nfs/dbraw/zinc/99/14/58/780991458.db2.gz USVOOFQRYPWOIG-UHFFFAOYSA-N 2 0 282.391 2.589 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000703872174 781072300 /nfs/dbraw/zinc/07/23/00/781072300.db2.gz QGZOPPVXOPDGEI-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP CC(C)[NH+]1CCC(NCc2ccc(Cl)cn2)CC1 ZINC000703933467 781081236 /nfs/dbraw/zinc/08/12/36/781081236.db2.gz BEESTZWYRLEENM-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000704777762 781115950 /nfs/dbraw/zinc/11/59/50/781115950.db2.gz VDTWAENLDMXLAN-XGUBFFRZSA-N 2 0 268.470 2.640 20 0 CFADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(F)c1 ZINC001205058366 781169052 /nfs/dbraw/zinc/16/90/52/781169052.db2.gz KAHOANCXWIKGQI-UHFFFAOYSA-N 2 0 280.387 2.784 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000706456868 781175091 /nfs/dbraw/zinc/17/50/91/781175091.db2.gz RKIYUZQIKXZABN-QWRGUYRKSA-N 2 0 250.411 2.767 20 0 CFADRP CSC1CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000706821524 781203871 /nfs/dbraw/zinc/20/38/71/781203871.db2.gz VWFSDSUPEXBZSC-UHFFFAOYSA-N 2 0 256.459 2.733 20 0 CFADRP c1cc2c[nH+]c(-c3ccc(CN4CC[NH2+]CC4)cc3)cc2[nH]1 ZINC001241976375 781212937 /nfs/dbraw/zinc/21/29/37/781212937.db2.gz OKDRJHWZILYYLD-UHFFFAOYSA-N 2 0 292.386 2.635 20 0 CFADRP Cc1cc(-c2ccccc2CN2CC[C@@H]([NH3+])C2)cc(C)n1 ZINC001241996257 781222986 /nfs/dbraw/zinc/22/29/86/781222986.db2.gz VSZTXMRZUAOJNJ-QGZVFWFLSA-N 2 0 281.403 2.898 20 0 CFADRP C[NH+](C)Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC001242027514 781241016 /nfs/dbraw/zinc/24/10/16/781241016.db2.gz DGRTUXHWKCJRSF-CABCVRRESA-N 2 0 260.356 2.795 20 0 CFADRP [NH3+]Cc1cc(-c2cccc(C[NH+]3CCCC3)c2)ccn1 ZINC001242123030 781291612 /nfs/dbraw/zinc/29/16/12/781291612.db2.gz ULQZVHZLMZMEIK-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000709642927 781295274 /nfs/dbraw/zinc/29/52/74/781295274.db2.gz NSVWTNBXWVXMQS-VXGBXAGGSA-N 2 0 264.335 2.650 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C(C)(C)O1 ZINC000709704007 781301615 /nfs/dbraw/zinc/30/16/15/781301615.db2.gz WWPJTZOUKSZBPM-XYPHTWIQSA-N 2 0 280.456 2.512 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])C(C)(C)O1 ZINC000709701826 781302091 /nfs/dbraw/zinc/30/20/91/781302091.db2.gz IGFNANGGRAHEOH-UONOGXRCSA-N 2 0 268.445 2.783 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C(C)(C)O1 ZINC000709703384 781302490 /nfs/dbraw/zinc/30/24/90/781302490.db2.gz SVKFSTOXSMFDOP-VBQJREDUSA-N 2 0 280.456 2.641 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cccn3c[nH+]cc23)cc1 ZINC001242152041 781303578 /nfs/dbraw/zinc/30/35/78/781303578.db2.gz ABGHLEYJCBGCBL-UHFFFAOYSA-N 2 0 281.359 2.942 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC[C@H]1[NH3+] ZINC000709733918 781304932 /nfs/dbraw/zinc/30/49/32/781304932.db2.gz UQLCUJMRJKKSML-HZSPNIEDSA-N 2 0 268.445 2.639 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C(C)(C)O1 ZINC000709756044 781306488 /nfs/dbraw/zinc/30/64/88/781306488.db2.gz SVKFSTOXSMFDOP-ZQIUZPCESA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C[NH3+] ZINC000709755250 781306960 /nfs/dbraw/zinc/30/69/60/781306960.db2.gz NIFCGWMZMINUHQ-QPSCCSFWSA-N 2 0 282.472 2.885 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C(F)(F)F ZINC000709827540 781319353 /nfs/dbraw/zinc/31/93/53/781319353.db2.gz SELOABCTSWTNRS-ZIAGYGMSSA-N 2 0 286.341 2.688 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709922171 781322182 /nfs/dbraw/zinc/32/21/82/781322182.db2.gz YMYDCHUGISAXPB-JSGCOSHPSA-N 2 0 260.372 2.743 20 0 CFADRP Fc1ccc(SCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709937428 781323387 /nfs/dbraw/zinc/32/33/87/781323387.db2.gz SIASHOSHGXJSKX-INIZCTEOSA-N 2 0 294.439 2.993 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)CCCCCC[NH3+] ZINC000710728673 781336152 /nfs/dbraw/zinc/33/61/52/781336152.db2.gz AMFFHVZKGQGWQQ-CYBMUJFWSA-N 2 0 250.386 2.904 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)c(Cl)nc1C ZINC001205058425 781336203 /nfs/dbraw/zinc/33/62/03/781336203.db2.gz MBSIBWCTZCWNEX-UHFFFAOYSA-N 2 0 267.804 2.523 20 0 CFADRP COCc1cccc(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000710833818 781340339 /nfs/dbraw/zinc/34/03/39/781340339.db2.gz MSASEIOVQQTIRU-UHFFFAOYSA-N 2 0 264.413 2.784 20 0 CFADRP Cc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1N(C)C ZINC001242241379 781341426 /nfs/dbraw/zinc/34/14/26/781341426.db2.gz HIOSOWJACLBJRJ-UHFFFAOYSA-N 2 0 296.418 2.533 20 0 CFADRP CC(C)CC[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000710874593 781342728 /nfs/dbraw/zinc/34/27/28/781342728.db2.gz PFUFMIKWTPBCBZ-UHFFFAOYSA-N 2 0 252.427 2.872 20 0 CFADRP Cc1c(F)c(F)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001242306645 781384119 /nfs/dbraw/zinc/38/41/19/781384119.db2.gz BVDJJAUWQQZVRR-UHFFFAOYSA-N 2 0 289.329 2.745 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C(C)(C)O1 ZINC000711251573 781400012 /nfs/dbraw/zinc/40/00/12/781400012.db2.gz UFXBBSBBMVGACJ-AWEZNQCLSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711841212 781476075 /nfs/dbraw/zinc/47/60/75/781476075.db2.gz POUOWYBTSCHAQZ-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP Nc1cncc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)c1 ZINC001242502386 781549751 /nfs/dbraw/zinc/54/97/51/781549751.db2.gz VTZZMAGCEZHXRI-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP CCc1cc(OC)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001242700444 781703896 /nfs/dbraw/zinc/70/38/96/781703896.db2.gz ZXHAMWYEXPDTNS-UHFFFAOYSA-N 2 0 297.402 2.729 20 0 CFADRP Cc1ccc(N2CCCCC23CC[NH2+]CC3)[nH+]c1C ZINC001165335725 781748587 /nfs/dbraw/zinc/74/85/87/781748587.db2.gz UNXFDLLERHXKPJ-UHFFFAOYSA-N 2 0 259.397 2.811 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc3[nH+]c(N)[nH]c3c2)c1 ZINC001242996340 781910901 /nfs/dbraw/zinc/91/09/01/781910901.db2.gz WETYWZBAKUXLKZ-UHFFFAOYSA-N 2 0 252.321 2.532 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001242998503 781913411 /nfs/dbraw/zinc/91/34/11/781913411.db2.gz SOTJGRVPZNSYCG-SFHVURJKSA-N 2 0 282.387 2.814 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000127717966 187327880 /nfs/dbraw/zinc/32/78/80/187327880.db2.gz VFVIJAUWQBPBTN-UONOGXRCSA-N 2 0 295.858 2.627 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000595013160 349549538 /nfs/dbraw/zinc/54/95/38/349549538.db2.gz QWXUFFHIHFMAOU-AWEZNQCLSA-N 2 0 298.471 2.676 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CSCCF)CC1 ZINC000595012145 349549601 /nfs/dbraw/zinc/54/96/01/349549601.db2.gz ONMIKTIUHPNNIR-CYBMUJFWSA-N 2 0 276.465 2.789 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125292423 187178147 /nfs/dbraw/zinc/17/81/47/187178147.db2.gz GZAYGHGURDJMTD-FIRUKDTASA-N 2 0 262.372 2.946 20 0 CFADRP COCc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)o1 ZINC000125309648 187179192 /nfs/dbraw/zinc/17/91/92/187179192.db2.gz XWXOVDBYBGGNKW-UHFFFAOYSA-N 2 0 288.391 2.777 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCCC1 ZINC000310873336 290014852 /nfs/dbraw/zinc/01/48/52/290014852.db2.gz RTGWEMOXYOYWBL-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000096950586 185138734 /nfs/dbraw/zinc/13/87/34/185138734.db2.gz IIINITAYMPVZOL-IAGOWNOFSA-N 2 0 258.409 2.898 20 0 CFADRP [NH3+]CCC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000070188434 346908061 /nfs/dbraw/zinc/90/80/61/346908061.db2.gz YKDLVMQRYWENLS-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414832171 529544930 /nfs/dbraw/zinc/54/49/30/529544930.db2.gz FAECBCMEWZDMGL-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1C[C@@H]1C ZINC000414071962 529584837 /nfs/dbraw/zinc/58/48/37/529584837.db2.gz MGZOSEJDOKIBIC-RCBQFDQVSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cc(C)ccc1OC ZINC000423283102 529610670 /nfs/dbraw/zinc/61/06/70/529610670.db2.gz XCRWQNTYAGKCAR-ZFWWWQNUSA-N 2 0 264.413 2.900 20 0 CFADRP CC[C@H]([NH2+]CCCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000423098222 529600109 /nfs/dbraw/zinc/60/01/09/529600109.db2.gz RTCBDAPFJVHHLP-HOTGVXAUSA-N 2 0 264.388 2.879 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422755777 529621270 /nfs/dbraw/zinc/62/12/70/529621270.db2.gz HALJJTLLRBUZNW-UGUYLWEFSA-N 2 0 282.472 2.948 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423262273 529623362 /nfs/dbraw/zinc/62/33/62/529623362.db2.gz UVPGVPSZEMHNGN-UONOGXRCSA-N 2 0 261.413 2.684 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000071107460 346920474 /nfs/dbraw/zinc/92/04/74/346920474.db2.gz SILQWAMSLZNMDS-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CCc1cnc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414697803 529645006 /nfs/dbraw/zinc/64/50/06/529645006.db2.gz CBHDSIMHESDWHL-RYUDHWBXSA-N 2 0 267.442 2.525 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596093993 349793099 /nfs/dbraw/zinc/79/30/99/349793099.db2.gz FXQIIJXPJJHKNH-ZFWWWQNUSA-N 2 0 288.476 2.789 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)[C@@H]1CCC[NH2+]1 ZINC000422770452 529670536 /nfs/dbraw/zinc/67/05/36/529670536.db2.gz WTKJVKZVUNCMFK-CRWXNKLISA-N 2 0 256.459 2.781 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000423041352 282247466 /nfs/dbraw/zinc/24/74/66/282247466.db2.gz IXHLVHKYIIJVCO-SVGFKBNWSA-N 2 0 282.472 2.948 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000334356149 282256285 /nfs/dbraw/zinc/25/62/85/282256285.db2.gz MKJLUYVWPTXGKU-HOTGVXAUSA-N 2 0 280.456 2.894 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126816974 187263513 /nfs/dbraw/zinc/26/35/13/187263513.db2.gz LMKRCRCBRFYYFO-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP CCc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422731961 529723600 /nfs/dbraw/zinc/72/36/00/529723600.db2.gz OORKMUZSBWYTAR-JLSDUUJJSA-N 2 0 289.467 2.582 20 0 CFADRP CCc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422727668 529723895 /nfs/dbraw/zinc/72/38/95/529723895.db2.gz CZJJZQMJSBMOHR-SQNIBIBYSA-N 2 0 289.467 2.569 20 0 CFADRP CCc1ccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000422736697 529723921 /nfs/dbraw/zinc/72/39/21/529723921.db2.gz YPQDDKXORKWKBO-VBQJREDUSA-N 2 0 277.456 2.567 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000423221761 529728918 /nfs/dbraw/zinc/72/89/18/529728918.db2.gz XYVGQJUZCQDBIO-OIKLOGQESA-N 2 0 267.442 2.934 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cs1 ZINC000422905545 529735077 /nfs/dbraw/zinc/73/50/77/529735077.db2.gz SJKSPCPWACNUHA-HUUCEWRRSA-N 2 0 287.432 2.982 20 0 CFADRP CCc1ncc(C[NH2+][C@H](C)CCC[NH+](CC)CC)cn1 ZINC000414249481 529757019 /nfs/dbraw/zinc/75/70/19/529757019.db2.gz WHYFXZPAQMERJI-CQSZACIVSA-N 2 0 278.444 2.639 20 0 CFADRP CN(C)c1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000422802827 529772779 /nfs/dbraw/zinc/77/27/79/529772779.db2.gz DZYGIBCJRDBZAF-CJNGLKHVSA-N 2 0 298.434 2.518 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789220 529794231 /nfs/dbraw/zinc/79/42/31/529794231.db2.gz YAWZAHANTMUAHT-JKSUJKDBSA-N 2 0 287.451 2.574 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422719397 529792013 /nfs/dbraw/zinc/79/20/13/529792013.db2.gz RBLBJIZOAWDLGC-RCCFBDPRSA-N 2 0 287.451 2.763 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422914378 529794821 /nfs/dbraw/zinc/79/48/21/529794821.db2.gz TXVNLUIHYACYON-BRWVUGGUSA-N 2 0 287.451 2.763 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128071438 187349443 /nfs/dbraw/zinc/34/94/43/187349443.db2.gz MODWSSHKGHMYJX-IAGOWNOFSA-N 2 0 276.399 2.893 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000119868626 539365032 /nfs/dbraw/zinc/36/50/32/539365032.db2.gz TZXNJHLWCXMGRI-AWEZNQCLSA-N 2 0 276.424 2.824 20 0 CFADRP C[N@H+](CCCCCOc1ccccc1)C1CC([NH3+])C1 ZINC000414766659 529882210 /nfs/dbraw/zinc/88/22/10/529882210.db2.gz FDMLVWNCUJIECN-UHFFFAOYSA-N 2 0 262.397 2.657 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC000119942829 539367403 /nfs/dbraw/zinc/36/74/03/539367403.db2.gz APOBJLRHFUXIGZ-CQSZACIVSA-N 2 0 275.440 2.573 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1F ZINC000422713391 529891803 /nfs/dbraw/zinc/89/18/03/529891803.db2.gz JPXNLULJANGDRC-ZBFHGGJFSA-N 2 0 293.430 2.759 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422783454 529891827 /nfs/dbraw/zinc/89/18/27/529891827.db2.gz LCAWONPWVOXYBV-ZWKOTPCHSA-N 2 0 289.467 2.758 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1F ZINC000422717700 529891884 /nfs/dbraw/zinc/89/18/84/529891884.db2.gz OYRBWKNOQAYBGK-CVEARBPZSA-N 2 0 293.430 2.902 20 0 CFADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422815331 529918011 /nfs/dbraw/zinc/91/80/11/529918011.db2.gz XKJMJKDFQHBJJG-KSZLIROESA-N 2 0 287.451 2.633 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348089619 539381598 /nfs/dbraw/zinc/38/15/98/539381598.db2.gz UCLCIBPGSWEZCJ-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423198702 529971372 /nfs/dbraw/zinc/97/13/72/529971372.db2.gz HKAGYZFOZTYSCV-CVEARBPZSA-N 2 0 276.424 2.569 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423198343 529971383 /nfs/dbraw/zinc/97/13/83/529971383.db2.gz FIMDDSSFOZCBNS-HUUCEWRRSA-N 2 0 261.413 2.615 20 0 CFADRP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC([NH3+])C1 ZINC000414777922 529990067 /nfs/dbraw/zinc/99/00/67/529990067.db2.gz PGVPPDPOLFJEQT-UHFFFAOYSA-N 2 0 297.402 2.582 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414839670 529985194 /nfs/dbraw/zinc/98/51/94/529985194.db2.gz MGFSYLBNJDIJKC-LLVKDONJSA-N 2 0 290.329 2.573 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423285670 529985693 /nfs/dbraw/zinc/98/56/93/529985693.db2.gz ZTOHDCOENHGANX-NEPJUHHUSA-N 2 0 270.367 2.731 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1SC ZINC000414844472 529985803 /nfs/dbraw/zinc/98/58/03/529985803.db2.gz RLQFPDZOERZWIO-OLZOCXBDSA-N 2 0 266.454 2.785 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423275787 529986031 /nfs/dbraw/zinc/98/60/31/529986031.db2.gz NKOFIRKKRQTNAS-QMTHXVAHSA-N 2 0 252.789 2.772 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414843087 529998702 /nfs/dbraw/zinc/99/87/02/529998702.db2.gz PPCBXWWVYFYCHG-NSHDSACASA-N 2 0 292.814 2.675 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414853494 529998750 /nfs/dbraw/zinc/99/87/50/529998750.db2.gz SQLIMSSOGSSPJH-JTQLQIEISA-N 2 0 274.330 2.959 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000414843944 529998787 /nfs/dbraw/zinc/99/87/87/529998787.db2.gz QTGJLFYBJSVFLW-NWDGAFQWSA-N 2 0 254.805 2.889 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423277014 529999319 /nfs/dbraw/zinc/99/93/19/529999319.db2.gz PHKZOTKZCKLJIB-ZQIUZPCESA-N 2 0 294.414 2.739 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414843119 530000023 /nfs/dbraw/zinc/00/00/23/530000023.db2.gz PQIPGZBQZAFDFR-UAGQMJEPSA-N 2 0 260.425 2.843 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414832092 530000070 /nfs/dbraw/zinc/00/00/70/530000070.db2.gz DSJXUKUHHLCABF-RCBQFDQVSA-N 2 0 264.388 2.907 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423268356 530000123 /nfs/dbraw/zinc/00/01/23/530000123.db2.gz GDLMGKJGOIOGTD-MQIPJXDCSA-N 2 0 264.388 2.894 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000414188391 530060946 /nfs/dbraw/zinc/06/09/46/530060946.db2.gz QQIQUXYAASZBSM-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000127367442 187300481 /nfs/dbraw/zinc/30/04/81/187300481.db2.gz MUQLTIMTUJQLNI-MCIONIFRSA-N 2 0 280.387 2.665 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1F ZINC000127367275 187300503 /nfs/dbraw/zinc/30/05/03/187300503.db2.gz MUQLTIMTUJQLNI-BFHYXJOUSA-N 2 0 280.387 2.665 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1OC ZINC000423322444 282389668 /nfs/dbraw/zinc/38/96/68/282389668.db2.gz HEUACWZZMAJOGF-KBPBESRZSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1C ZINC000127393435 187302221 /nfs/dbraw/zinc/30/22/21/187302221.db2.gz IHZRUTJPHPMSSZ-NVXWUHKLSA-N 2 0 289.467 2.590 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000094182686 232178583 /nfs/dbraw/zinc/17/85/83/232178583.db2.gz XLWIRPVMOHUWNB-ZMSDIMECSA-N 2 0 260.425 2.856 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000127422181 187304702 /nfs/dbraw/zinc/30/47/02/187304702.db2.gz KEFWFCZYDCKQKA-IIAWOOMASA-N 2 0 294.414 2.913 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000089551140 539469675 /nfs/dbraw/zinc/46/96/75/539469675.db2.gz CZFCSXOHKZBOTE-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000089623139 539478645 /nfs/dbraw/zinc/47/86/45/539478645.db2.gz RGTRCHILHWGZKM-CABCVRRESA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000123102858 539484736 /nfs/dbraw/zinc/48/47/36/539484736.db2.gz FMEOUWZOAWTJFY-ZIAGYGMSSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000070174799 539486394 /nfs/dbraw/zinc/48/63/94/539486394.db2.gz RXLCGUMCPBBCJZ-QWHCGFSZSA-N 2 0 282.428 2.977 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000070359422 539489889 /nfs/dbraw/zinc/48/98/89/539489889.db2.gz ZDIUWFWPWDRYDO-XHSDSOJGSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC2(C1)CCCCC2 ZINC000668476131 539519329 /nfs/dbraw/zinc/51/93/29/539519329.db2.gz YODNAAKXHDTBRA-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C)s1 ZINC000178650836 232384623 /nfs/dbraw/zinc/38/46/23/232384623.db2.gz KDNOADQSJUSLEA-JOYOIKCWSA-N 2 0 253.415 2.505 20 0 CFADRP CC(C)(C)CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000668488862 539528709 /nfs/dbraw/zinc/52/87/09/539528709.db2.gz GUJQPCNSUYVZCF-QGZVFWFLSA-N 2 0 290.451 2.779 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2nc3ccccc3s2)CC1 ZINC000020128066 346242928 /nfs/dbraw/zinc/24/29/28/346242928.db2.gz QRROFPLIURUAFB-UHFFFAOYSA-N 2 0 289.448 2.913 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)[C@H]1OC ZINC000423540557 282457472 /nfs/dbraw/zinc/45/74/72/282457472.db2.gz JVHXFEXAKNZACF-KMIMBKNBSA-N 2 0 294.483 2.804 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](C)[C@H]1OC ZINC000422988804 282459816 /nfs/dbraw/zinc/45/98/16/282459816.db2.gz LHUSANMTCWJJCG-AAVRWANBSA-N 2 0 256.434 2.543 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044532518 346394840 /nfs/dbraw/zinc/39/48/40/346394840.db2.gz JYROIOLRGGJNCM-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP CC(C)OCC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184467 346516287 /nfs/dbraw/zinc/51/62/87/346516287.db2.gz LLHCDZYPPUKNEM-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000596648087 349967511 /nfs/dbraw/zinc/96/75/11/349967511.db2.gz IDJMCSRDDIWDOI-OLZOCXBDSA-N 2 0 256.459 2.627 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)C(C)(C)CC)CC[NH2+]CC1 ZINC000596648749 349967892 /nfs/dbraw/zinc/96/78/92/349967892.db2.gz AASWWDNNIFNLKP-ZIAGYGMSSA-N 2 0 298.471 2.722 20 0 CFADRP CSCC1(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000596650985 349968500 /nfs/dbraw/zinc/96/85/00/349968500.db2.gz NASHRYFRTAYANZ-QWHCGFSZSA-N 2 0 256.459 2.640 20 0 CFADRP CCCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000052920436 346533667 /nfs/dbraw/zinc/53/36/67/346533667.db2.gz SNWGDPQTLAECCJ-UHFFFAOYSA-N 2 0 262.397 2.646 20 0 CFADRP c1ccc2c(c1)CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000062944697 346694435 /nfs/dbraw/zinc/69/44/35/346694435.db2.gz STPIHSYODOHZQR-HNNXBMFYSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@@H]1C[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H](C)S1 ZINC000563616262 290163690 /nfs/dbraw/zinc/16/36/90/290163690.db2.gz YUBQQJMDIMIGAQ-BZPMIXESSA-N 2 0 282.428 2.694 20 0 CFADRP CC[C@@H](C)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000088504339 347504906 /nfs/dbraw/zinc/50/49/06/347504906.db2.gz NITPXSSEVZZRFG-CQSZACIVSA-N 2 0 268.445 2.608 20 0 CFADRP OC1(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCC1 ZINC000411116249 232723137 /nfs/dbraw/zinc/72/31/37/232723137.db2.gz QLQJDQXEOBMQFN-UHFFFAOYSA-N 2 0 294.483 2.880 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000090708705 347554746 /nfs/dbraw/zinc/55/47/46/347554746.db2.gz WARSSJHGFPYCJY-CGTJXYLNSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000090773140 347556594 /nfs/dbraw/zinc/55/65/94/347556594.db2.gz DLQVZZQOGVHAIT-PVAVHDDUSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000090806123 347557197 /nfs/dbraw/zinc/55/71/97/347557197.db2.gz YZBKODXEQJEKAE-BBRMVZONSA-N 2 0 296.842 2.786 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC(O)CC3)CC2)C1 ZINC000090800699 347557625 /nfs/dbraw/zinc/55/76/25/347557625.db2.gz DKSDNHOWSWRKFO-JWFMREHNSA-N 2 0 294.483 2.923 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091369090 347583903 /nfs/dbraw/zinc/58/39/03/347583903.db2.gz ZJVRVEVSGGABJD-IAGOWNOFSA-N 2 0 293.455 2.725 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000090523374 347551390 /nfs/dbraw/zinc/55/13/90/347551390.db2.gz RIJFWGLXLYZJOB-BPUTZDHNSA-N 2 0 282.472 2.779 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093516148 347678347 /nfs/dbraw/zinc/67/83/47/347678347.db2.gz ZBEKCNHYJCHBSO-DOTOQJQBSA-N 3 0 281.488 2.619 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCS2 ZINC000094009815 347689829 /nfs/dbraw/zinc/68/98/29/347689829.db2.gz HQVBNDZONMTGSE-AWEZNQCLSA-N 2 0 280.412 2.952 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000094010159 347689992 /nfs/dbraw/zinc/68/99/92/347689992.db2.gz XFZYRXQWRMYKFR-NWDGAFQWSA-N 2 0 264.335 2.697 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000093210238 347665272 /nfs/dbraw/zinc/66/52/72/347665272.db2.gz LJHNLBVAVXVAKE-MSOLQXFVSA-N 3 0 289.467 2.888 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNCc2csc(C(C)(C)C)n2)C1 ZINC000108428311 347740815 /nfs/dbraw/zinc/74/08/15/347740815.db2.gz KBCXYBMDRMNLEA-LBPRGKRZSA-N 2 0 281.469 2.872 20 0 CFADRP CCC[NH+]1CCC(NCc2nn(C)c3ccccc23)CC1 ZINC000112339321 347760468 /nfs/dbraw/zinc/76/04/68/347760468.db2.gz SNLYQBPSZGRDNM-UHFFFAOYSA-N 2 0 286.423 2.537 20 0 CFADRP c1cc2cc(C[NH2+]CCC[NH+]3CCCC3)ccc2[nH]1 ZINC000124290680 347823433 /nfs/dbraw/zinc/82/34/33/347823433.db2.gz DBIPQQOAOQOETP-UHFFFAOYSA-N 2 0 257.381 2.743 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000124516156 347823989 /nfs/dbraw/zinc/82/39/89/347823989.db2.gz GXUTZONIHYESPQ-OCCSQVGLSA-N 2 0 282.815 2.921 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000124570747 347824958 /nfs/dbraw/zinc/82/49/58/347824958.db2.gz PJXUOFVDMGLUBS-ZFWWWQNUSA-N 2 0 262.397 2.785 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000124625792 347825066 /nfs/dbraw/zinc/82/50/66/347825066.db2.gz OEJPSQYPRMFIJU-WCQYABFASA-N 2 0 268.788 2.530 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000131433694 347877882 /nfs/dbraw/zinc/87/78/82/347877882.db2.gz SBIUIANDLNJLPK-OCCSQVGLSA-N 2 0 255.365 2.546 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000132299482 347883484 /nfs/dbraw/zinc/88/34/84/347883484.db2.gz UPUCVUBBWVTIFW-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP COc1ccc2ccccc2c1C[N@H+](C)CCC[NH3+] ZINC000133735273 347893768 /nfs/dbraw/zinc/89/37/68/347893768.db2.gz JZMWHCQUJLGARK-UHFFFAOYSA-N 2 0 258.365 2.629 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000133991578 347894980 /nfs/dbraw/zinc/89/49/80/347894980.db2.gz XPJATMSKVPLHGJ-ROUUACIJSA-N 2 0 293.499 2.596 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000154812519 347982493 /nfs/dbraw/zinc/98/24/93/347982493.db2.gz QDHJVMYIGJCWJX-UKRRQHHQSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171306175 348074464 /nfs/dbraw/zinc/07/44/64/348074464.db2.gz BHSDFNIOYJMJHS-HZPDHXFCSA-N 2 0 282.472 2.854 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC(F)(F)F ZINC000211081194 348158705 /nfs/dbraw/zinc/15/87/05/348158705.db2.gz GWUDMYXQQARYLF-MXWKQRLJSA-N 2 0 252.324 2.647 20 0 CFADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248831358 348278239 /nfs/dbraw/zinc/27/82/39/348278239.db2.gz HMUQNWQKISUWGR-AEFFLSMTSA-N 2 0 290.451 2.617 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000252204982 348295309 /nfs/dbraw/zinc/29/53/09/348295309.db2.gz UYBYIFRATWXNRL-JONQDZQNSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000257743379 348307064 /nfs/dbraw/zinc/30/70/64/348307064.db2.gz ZFYQXYOASJSHLW-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP c1ccc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000257695697 348307161 /nfs/dbraw/zinc/30/71/61/348307161.db2.gz OSVBPCHNLRXPRS-QGZVFWFLSA-N 2 0 258.409 2.695 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000300410421 348368297 /nfs/dbraw/zinc/36/82/97/348368297.db2.gz HMXBJXKDUJJPCL-VHDGCEQUSA-N 2 0 270.486 2.981 20 0 CFADRP CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000300412240 348368362 /nfs/dbraw/zinc/36/83/62/348368362.db2.gz SFUNZJOTSYTYMG-BPLDGKMQSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000309838165 348408045 /nfs/dbraw/zinc/40/80/45/348408045.db2.gz VBFUCLVDLQLEMY-BZZMCLGOSA-N 2 0 287.451 2.509 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000310736631 348410238 /nfs/dbraw/zinc/41/02/38/348410238.db2.gz PLRCZGFEFWABNG-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)[C@H]2CCC[C@H]21 ZINC000453243830 290217312 /nfs/dbraw/zinc/21/73/12/290217312.db2.gz ZUEZSADYROUNJS-FRRDWIJNSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000396458272 348557771 /nfs/dbraw/zinc/55/77/71/348557771.db2.gz OGTGGYLCGXDCKO-OLZOCXBDSA-N 2 0 291.395 2.976 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400010941 348571050 /nfs/dbraw/zinc/57/10/50/348571050.db2.gz FAYMYFRKDDWQJJ-NEADZQPHSA-N 2 0 250.430 2.920 20 0 CFADRP CSC[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000400087356 348571408 /nfs/dbraw/zinc/57/14/08/348571408.db2.gz QUNULHIWRVUSBK-OAHLLOKOSA-N 2 0 276.449 2.660 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401025268 348576638 /nfs/dbraw/zinc/57/66/38/348576638.db2.gz NFWAFJJHKFEXMH-YJNKXOJESA-N 2 0 250.430 2.933 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000090972424 539657506 /nfs/dbraw/zinc/65/75/06/539657506.db2.gz PQRRQWYFOWAKTP-LBPRGKRZSA-N 2 0 280.387 2.654 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000584705542 348707271 /nfs/dbraw/zinc/70/72/71/348707271.db2.gz IHIHUKYWARYEOH-OAHLLOKOSA-N 2 0 287.451 2.734 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166642220 539672410 /nfs/dbraw/zinc/67/24/10/539672410.db2.gz FBVYCNUBNPXIKL-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591083191 348985476 /nfs/dbraw/zinc/98/54/76/348985476.db2.gz QTBIMNVDCNACJF-GOEBONIOSA-N 2 0 298.390 2.547 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000591578264 349031600 /nfs/dbraw/zinc/03/16/00/349031600.db2.gz IHUYSGHIFSYNFP-HZPDHXFCSA-N 2 0 290.407 2.656 20 0 CFADRP C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000127146934 539712610 /nfs/dbraw/zinc/71/26/10/539712610.db2.gz UBEXLVUSRRPHNR-HLLBOEOZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000414185520 233190206 /nfs/dbraw/zinc/19/02/06/233190206.db2.gz OUQPYXGWHLUMMD-NEPJUHHUSA-N 2 0 253.415 2.526 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592470731 349126463 /nfs/dbraw/zinc/12/64/63/349126463.db2.gz FWLJAVFSCIIVKT-RRFJBIMHSA-N 2 0 270.486 2.743 20 0 CFADRP [NH3+]CC1(CC[NH2+]CCSCc2ccccc2)CC1 ZINC000593316147 349245835 /nfs/dbraw/zinc/24/58/35/349245835.db2.gz MTBUPFGYXKAOGD-UHFFFAOYSA-N 2 0 264.438 2.638 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593318782 349246807 /nfs/dbraw/zinc/24/68/07/349246807.db2.gz HHXUKJNROOAUJB-LSDHHAIUSA-N 2 0 296.455 2.607 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000305773078 539741190 /nfs/dbraw/zinc/74/11/90/539741190.db2.gz VVFNGZZIHYWWEO-BHYGNILZSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC[C@H]2CCCC[C@@H]2O)CC1 ZINC000305773212 539741479 /nfs/dbraw/zinc/74/14/79/539741479.db2.gz LMCAYTLJAUSTCV-WBVHZDCISA-N 2 0 282.472 2.782 20 0 CFADRP CSC[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000597018467 350017184 /nfs/dbraw/zinc/01/71/84/350017184.db2.gz DZHINJOLOJSWHV-HNNXBMFYSA-N 2 0 288.420 2.595 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000597256192 350074195 /nfs/dbraw/zinc/07/41/95/350074195.db2.gz MHBRDAOMANZMAU-OAHLLOKOSA-N 2 0 282.497 2.984 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414502839 233274196 /nfs/dbraw/zinc/27/41/96/233274196.db2.gz VFKYDPBINWHWMY-RISCZKNCSA-N 2 0 288.420 2.559 20 0 CFADRP C[NH+](C)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000414502416 233274791 /nfs/dbraw/zinc/27/47/91/233274791.db2.gz UKZPEVIPQVGUJK-LSDHHAIUSA-N 2 0 291.414 2.926 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937191 180068433 /nfs/dbraw/zinc/06/84/33/180068433.db2.gz KSWOQOPARQIJLX-UONOGXRCSA-N 2 0 279.428 2.546 20 0 CFADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000399145229 539768016 /nfs/dbraw/zinc/76/80/16/539768016.db2.gz VTLPMRDPHFFGJJ-CZUORRHYSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC000414696223 233330289 /nfs/dbraw/zinc/33/02/89/233330289.db2.gz BHHUKDYVCPEICT-QWHCGFSZSA-N 2 0 262.372 2.793 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000414747060 233341512 /nfs/dbraw/zinc/34/15/12/233341512.db2.gz ROOCKKBMTCZATC-NEPJUHHUSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)C(C)(C)CN2CCCCCC2)CC[NH2+]1 ZINC000414747422 233341910 /nfs/dbraw/zinc/34/19/10/233341910.db2.gz SANBZLOYFYGMKH-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414709229 233335141 /nfs/dbraw/zinc/33/51/41/233335141.db2.gz PTNGGDRGWBMTJL-JFIYKMOQSA-N 2 0 287.451 2.951 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC000414714197 233337086 /nfs/dbraw/zinc/33/70/86/233337086.db2.gz WKVNYRSEBCMZOD-HIFRSBDPSA-N 2 0 264.388 2.688 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414736066 233340202 /nfs/dbraw/zinc/34/02/02/233340202.db2.gz MMQJGDGDHPUBCE-NSHDSACASA-N 2 0 298.333 2.569 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC[NH2+]1 ZINC000414742325 233341101 /nfs/dbraw/zinc/34/11/01/233341101.db2.gz LYOXTMHIOKAMEE-BFYDXBDKSA-N 2 0 298.434 2.671 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414797634 233354276 /nfs/dbraw/zinc/35/42/76/233354276.db2.gz PGCAAWUABPPVIA-GXTWGEPZSA-N 2 0 266.454 2.912 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414800812 233356668 /nfs/dbraw/zinc/35/66/68/233356668.db2.gz LLXXRPSWEXXHNZ-DZGCQCFKSA-N 2 0 298.377 2.938 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771899 233347033 /nfs/dbraw/zinc/34/70/33/233347033.db2.gz AQLGLGFWPFZPHQ-SJORKVTESA-N 2 0 288.435 2.907 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000414776588 233348050 /nfs/dbraw/zinc/34/80/50/233348050.db2.gz FTIYOLDMYJERCA-LLVKDONJSA-N 2 0 252.789 2.785 20 0 CFADRP Fc1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414782705 233349459 /nfs/dbraw/zinc/34/94/59/233349459.db2.gz ORRZPBPRTJECOM-NEPJUHHUSA-N 2 0 298.352 2.925 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414787124 233350464 /nfs/dbraw/zinc/35/04/64/233350464.db2.gz VAABZGPNQSRURK-CABCVRRESA-N 2 0 276.399 2.956 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000105480721 186061032 /nfs/dbraw/zinc/06/10/32/186061032.db2.gz WDVQYDBJZUZBSG-RISCZKNCSA-N 2 0 252.789 2.770 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(O)c2)cc1 ZINC000414804954 233359252 /nfs/dbraw/zinc/35/92/52/233359252.db2.gz FSKHZFPLXFJMBU-GFCCVEGCSA-N 2 0 256.349 2.702 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414807001 233359853 /nfs/dbraw/zinc/35/98/53/233359853.db2.gz ZYYVEFGYPGCRPJ-DGCLKSJQSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000414807486 233360145 /nfs/dbraw/zinc/36/01/45/233360145.db2.gz RBNMVEVNKCDELE-LKFCYVNXSA-N 2 0 272.314 2.711 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000414807137 233360397 /nfs/dbraw/zinc/36/03/97/233360397.db2.gz QWRVHFVLLCMZQX-USXIJHARSA-N 2 0 260.425 2.972 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414810614 233361427 /nfs/dbraw/zinc/36/14/27/233361427.db2.gz VKBIWTKSXGNLKK-QAPCUYQASA-N 2 0 298.434 2.788 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414811466 233362118 /nfs/dbraw/zinc/36/21/18/233362118.db2.gz WLAKODFEVQQGLP-DOMZBBRYSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000414819077 233364233 /nfs/dbraw/zinc/36/42/33/233364233.db2.gz XSSPOGGDRPZPEU-LBPRGKRZSA-N 2 0 297.393 2.525 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414819661 233364312 /nfs/dbraw/zinc/36/43/12/233364312.db2.gz IBAFPOCFLFVBNU-VIFPVBQESA-N 2 0 267.423 2.699 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414821428 233365880 /nfs/dbraw/zinc/36/58/80/233365880.db2.gz LFFYKPQZGFOKSK-SIXLDLHFSA-N 2 0 258.409 2.768 20 0 CFADRP c1nc(-c2ccccc2)sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826130 233368318 /nfs/dbraw/zinc/36/83/18/233368318.db2.gz IORZMTFAZZGDRQ-ZDUSSCGKSA-N 2 0 287.432 2.899 20 0 CFADRP c1ccc(CSCC[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414829080 233369678 /nfs/dbraw/zinc/36/96/78/233369678.db2.gz AKICOCOTJLCHRX-HNNXBMFYSA-N 2 0 278.465 2.899 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000414833791 233371823 /nfs/dbraw/zinc/37/18/23/233371823.db2.gz QFFWJXADDNBXIF-XJNFMUPTSA-N 2 0 258.409 2.768 20 0 CFADRP FC(F)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414840927 233373437 /nfs/dbraw/zinc/37/34/37/233373437.db2.gz YQRXHSAICYOIRL-FUNVUKJBSA-N 2 0 282.334 2.661 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000105480671 186058938 /nfs/dbraw/zinc/05/89/38/186058938.db2.gz LIGJRGUWLZWOMP-RISCZKNCSA-N 2 0 252.789 2.770 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000414921731 233398990 /nfs/dbraw/zinc/39/89/90/233398990.db2.gz FSUZJBDJBZOQIB-NWDGAFQWSA-N 2 0 256.752 2.839 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414882274 233388535 /nfs/dbraw/zinc/38/85/35/233388535.db2.gz TURBVWAKHUFLLN-KCPJHIHWSA-N 2 0 250.361 2.646 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000414885853 233389131 /nfs/dbraw/zinc/38/91/31/233389131.db2.gz GUBLJORGMGPZCN-OAGGEKHMSA-N 2 0 262.372 2.789 20 0 CFADRP C[C@H](C[NH2+]CCCC[NH3+])c1cccc(Br)c1 ZINC000414896854 233391327 /nfs/dbraw/zinc/39/13/27/233391327.db2.gz AJXOIQCCTXBABM-LLVKDONJSA-N 2 0 285.229 2.881 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414893064 233392138 /nfs/dbraw/zinc/39/21/38/233392138.db2.gz QYSOKOCMITVEDH-FZMZJTMJSA-N 2 0 264.438 2.666 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]CC3(C)CC[NH2+]CC3)sc2C1 ZINC000414902019 233393384 /nfs/dbraw/zinc/39/33/84/233393384.db2.gz KASAYUGJRMDPIL-GFCCVEGCSA-N 2 0 293.480 2.747 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000414903722 233393673 /nfs/dbraw/zinc/39/36/73/233393673.db2.gz KMDZPVWCFYYBEJ-NPPUXFBVSA-N 2 0 266.335 2.710 20 0 CFADRP C[C@]1(C[NH2+]Cc2cccc3cccnc32)CCC[NH2+]C1 ZINC000414903444 233393918 /nfs/dbraw/zinc/39/39/18/233393918.db2.gz LZYBQVNAVQVHKC-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000414904677 233394281 /nfs/dbraw/zinc/39/42/81/233394281.db2.gz NRSLGPSQIJXEEP-UHFFFAOYSA-N 2 0 282.815 2.828 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414908457 233395527 /nfs/dbraw/zinc/39/55/27/233395527.db2.gz BKXIXJPBXJYAEV-CVEARBPZSA-N 2 0 284.407 2.540 20 0 CFADRP C[C@]1(C[NH2+]Cc2cccc(OC(F)F)c2)CCC[NH2+]C1 ZINC000414915277 233398477 /nfs/dbraw/zinc/39/84/77/233398477.db2.gz ZOELXKXUSAXEEE-HNNXBMFYSA-N 2 0 284.350 2.767 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414857657 233380814 /nfs/dbraw/zinc/38/08/14/233380814.db2.gz PXWGUCQMCBGMCP-OLZOCXBDSA-N 2 0 250.361 2.518 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000092043213 180311131 /nfs/dbraw/zinc/31/11/31/180311131.db2.gz NUZDQKAYYCTOLR-OCCSQVGLSA-N 2 0 250.411 2.664 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043527 180311438 /nfs/dbraw/zinc/31/14/38/180311438.db2.gz HEZZDKNFXBHHET-WBVHZDCISA-N 2 0 274.408 2.611 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000414991390 233426906 /nfs/dbraw/zinc/42/69/06/233426906.db2.gz BDPJHSTVWYLMSI-DOTOQJQBSA-N 2 0 288.435 2.661 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000415003269 233432147 /nfs/dbraw/zinc/43/21/47/233432147.db2.gz FQCCKRBNQVCBRQ-XOKHGSTOSA-N 2 0 258.409 2.768 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000356834122 282687536 /nfs/dbraw/zinc/68/75/36/282687536.db2.gz FWTDLCQPEOSWFP-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP Cn1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000415039379 233443977 /nfs/dbraw/zinc/44/39/77/233443977.db2.gz NZYLHIHCBYHAGV-BBRMVZONSA-N 2 0 290.455 2.685 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415022432 233439774 /nfs/dbraw/zinc/43/97/74/233439774.db2.gz ZKHHXSOCSXCUMR-CQSZACIVSA-N 2 0 286.423 2.788 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415030331 233442071 /nfs/dbraw/zinc/44/20/71/233442071.db2.gz FQIGWZXKZJQZBB-CHWSQXEVSA-N 2 0 258.365 2.958 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000415089758 233462661 /nfs/dbraw/zinc/46/26/61/233462661.db2.gz WXNWSPNQYKRQFC-GHMZBOCLSA-N 2 0 270.779 2.957 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(OC)cc2)CC1 ZINC000105943067 186093978 /nfs/dbraw/zinc/09/39/78/186093978.db2.gz JRAUPPHIDTXXQK-UHFFFAOYSA-N 2 0 292.423 2.538 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182064285 282695842 /nfs/dbraw/zinc/69/58/42/282695842.db2.gz ZGAIXZPQNLBDPS-MRXNPFEDSA-N 2 0 292.398 2.971 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CCN(c2cc[nH+]cc2)CC1 ZINC000599449815 350440054 /nfs/dbraw/zinc/44/00/54/350440054.db2.gz NRABIVFEQOKVFF-UHFFFAOYSA-N 2 0 290.370 2.956 20 0 CFADRP Cc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868309 186143534 /nfs/dbraw/zinc/14/35/34/186143534.db2.gz NKRCBPFCWTUWHL-QWHCGFSZSA-N 2 0 250.411 2.773 20 0 CFADRP CC[N@H+](CCCC(=O)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660270 350475518 /nfs/dbraw/zinc/47/55/18/350475518.db2.gz LOECRILLXSGVAM-UHFFFAOYSA-N 2 0 292.423 2.523 20 0 CFADRP CSC1(C[NH2+]C[C@@]2(C)CCCS2)CC[NH+](C)CC1 ZINC000600166698 350527667 /nfs/dbraw/zinc/52/76/67/350527667.db2.gz ZIWORPFLIGPFRI-CYBMUJFWSA-N 2 0 288.526 2.689 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000600712670 350600050 /nfs/dbraw/zinc/60/00/50/350600050.db2.gz ZRHJDLUPJCAHTH-LVQVYYBASA-N 2 0 296.455 2.619 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000600712671 350600318 /nfs/dbraw/zinc/60/03/18/350600318.db2.gz ZRHJDLUPJCAHTH-XUWVNRHRSA-N 2 0 296.455 2.619 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCCCn2cccn2)CC1 ZINC000109788494 186271843 /nfs/dbraw/zinc/27/18/43/186271843.db2.gz NMRWRQIQLPTRBN-UHFFFAOYSA-N 2 0 292.471 2.860 20 0 CFADRP C[C@@H]1CC[C@H](NCCSCc2ccccc2)C[NH2+]1 ZINC000600776050 350609049 /nfs/dbraw/zinc/60/90/49/350609049.db2.gz OFQXRJMHTLYSKQ-HIFRSBDPSA-N 2 0 264.438 2.650 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000110648939 186310375 /nfs/dbraw/zinc/31/03/75/186310375.db2.gz HFRHAHLJVAOGFA-GFCCVEGCSA-N 2 0 287.382 2.933 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)s1 ZINC000110645734 186308488 /nfs/dbraw/zinc/30/84/88/186308488.db2.gz LJNDXCCIHGPMPH-NSHDSACASA-N 2 0 252.427 2.924 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000110644367 186308494 /nfs/dbraw/zinc/30/84/94/186308494.db2.gz MBYTVIOHMFKGJZ-LBPRGKRZSA-N 2 0 258.365 2.992 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000110978861 186338990 /nfs/dbraw/zinc/33/89/90/186338990.db2.gz VPWLSUSWDFFHHS-LBPRGKRZSA-N 2 0 250.361 2.693 20 0 CFADRP [NH3+]CC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000020267205 539806900 /nfs/dbraw/zinc/80/69/00/539806900.db2.gz IMOMOJHUPYLTII-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000111890437 186464315 /nfs/dbraw/zinc/46/43/15/186464315.db2.gz OYMJDRFSYIKAOW-ZDUSSCGKSA-N 2 0 280.387 2.654 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602736094 351008191 /nfs/dbraw/zinc/00/81/91/351008191.db2.gz WJYGBMYKTWCITA-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCCS1)C1CC[NH+](C)CC1 ZINC000134007243 539823226 /nfs/dbraw/zinc/82/32/26/539823226.db2.gz SOWBDUSXWXUSMO-OCCSQVGLSA-N 2 0 256.459 2.592 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000129061907 303112433 /nfs/dbraw/zinc/11/24/33/303112433.db2.gz JXERAEYOCYDIIW-MOENNCHZSA-N 2 0 264.335 2.839 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121974208 187008279 /nfs/dbraw/zinc/00/82/79/187008279.db2.gz AOCHSTGLWJIZHS-ZACQAIPSSA-N 2 0 292.467 2.656 20 0 CFADRP FC(F)(F)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000063099341 303113329 /nfs/dbraw/zinc/11/33/29/303113329.db2.gz BIUMICUMGOHTPK-UHFFFAOYSA-N 2 0 273.302 2.592 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227189769 539824914 /nfs/dbraw/zinc/82/49/14/539824914.db2.gz BDCXRPKESBLVNX-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000122394255 187030374 /nfs/dbraw/zinc/03/03/74/187030374.db2.gz SXKFHGKXTRJCFD-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccn(C)c2)C1 ZINC000123306099 187083952 /nfs/dbraw/zinc/08/39/52/187083952.db2.gz NVNJLYNRHWIYSB-HOTGVXAUSA-N 2 0 277.456 2.873 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819939 539825760 /nfs/dbraw/zinc/82/57/60/539825760.db2.gz QYIFMAVVHTZXFH-WCXIOVBPSA-N 2 0 262.441 2.887 20 0 CFADRP Cc1nccn1CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123448421 187092816 /nfs/dbraw/zinc/09/28/16/187092816.db2.gz IXMVNYPLEMUIOD-UHFFFAOYSA-N 2 0 292.471 2.635 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123725033 187105879 /nfs/dbraw/zinc/10/58/79/187105879.db2.gz YLFLTDYKXRTGJI-QGZVFWFLSA-N 2 0 298.434 2.649 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261405 282984809 /nfs/dbraw/zinc/98/48/09/282984809.db2.gz SEGKVDNIGFPXRY-XHDPSFHLSA-N 2 0 280.362 2.931 20 0 CFADRP CCc1cnccc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291938382 198110982 /nfs/dbraw/zinc/11/09/82/198110982.db2.gz ALDRVIRIVZCBMV-INIZCTEOSA-N 2 0 293.386 2.795 20 0 CFADRP c1ccc2c(c1)cccc2OCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000615456670 352194225 /nfs/dbraw/zinc/19/42/25/352194225.db2.gz PQLCYUJSMMNLPK-IRXDYDNUSA-N 2 0 296.414 2.760 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000271481911 191164436 /nfs/dbraw/zinc/16/44/36/191164436.db2.gz KHSUQEYRBVGLBA-UDCKQINGSA-N 2 0 272.436 2.936 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271485406 191167147 /nfs/dbraw/zinc/16/71/47/191167147.db2.gz KXZOKCKOIHBJBS-DZGCQCFKSA-N 2 0 294.464 2.783 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000227301093 539896512 /nfs/dbraw/zinc/89/65/12/539896512.db2.gz KIVWWUVGGLYXMP-YQQAZPJKSA-N 2 0 256.393 2.890 20 0 CFADRP CCCCOC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414749252 282836903 /nfs/dbraw/zinc/83/69/03/282836903.db2.gz VUYIQJZPDKVUHR-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152698072 188036991 /nfs/dbraw/zinc/03/69/91/188036991.db2.gz YLWOOKYCKHBWLK-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423121608 295855204 /nfs/dbraw/zinc/85/52/04/295855204.db2.gz AWHRBUQFQYRCLP-JOYOIKCWSA-N 2 0 270.323 2.505 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000154311480 188135233 /nfs/dbraw/zinc/13/52/33/188135233.db2.gz MODXPWUCKOFIGS-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230408 290360719 /nfs/dbraw/zinc/36/07/19/290360719.db2.gz OUEXPDXQXAQYAM-BZSNNMDCSA-N 2 0 270.420 2.866 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000155086521 188181798 /nfs/dbraw/zinc/18/17/98/188181798.db2.gz COYBABKXUQKGJJ-UONOGXRCSA-N 2 0 295.858 2.627 20 0 CFADRP Cc1cccc(CCC[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000155193687 188189384 /nfs/dbraw/zinc/18/93/84/188189384.db2.gz MWEJGHGQKIBGIN-QGZVFWFLSA-N 2 0 260.425 2.811 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000235440103 539999792 /nfs/dbraw/zinc/99/97/92/539999792.db2.gz JGPFWYIYDOURQD-DYVFJYSZSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]CC2(C)CCC2)C[C@@H](C)O1 ZINC000434756813 540000938 /nfs/dbraw/zinc/00/09/38/540000938.db2.gz LNVDNZWQYUYHBI-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621620597 353385166 /nfs/dbraw/zinc/38/51/66/353385166.db2.gz BJPRAJVICGVUPX-CQSZACIVSA-N 2 0 289.423 2.514 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000621620811 353385385 /nfs/dbraw/zinc/38/53/85/353385385.db2.gz ITTXAWUOFOTXDM-AWEZNQCLSA-N 2 0 289.423 2.514 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621775224 353422785 /nfs/dbraw/zinc/42/27/85/353422785.db2.gz IWQPTOJRTJVPPJ-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP FC1(F)C[C@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000621733183 353411580 /nfs/dbraw/zinc/41/15/80/353411580.db2.gz DRYLQBVKNUOLEP-GFCCVEGCSA-N 2 0 281.350 2.685 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621733998 353411904 /nfs/dbraw/zinc/41/19/04/353411904.db2.gz CMLTXILHPBRBDY-NSHDSACASA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000158681780 188388763 /nfs/dbraw/zinc/38/87/63/188388763.db2.gz BRTIVQLOMBHQON-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000336832099 282912511 /nfs/dbraw/zinc/91/25/11/282912511.db2.gz FBXOATPGVJCBMS-STQMWFEESA-N 2 0 294.361 2.562 20 0 CFADRP COCc1ccccc1/C=C(\C)C[NH2+]CCc1cncn1C ZINC000623085848 353584826 /nfs/dbraw/zinc/58/48/26/353584826.db2.gz IRQSCANUWMWCNR-XNTDXEJSSA-N 2 0 299.418 2.802 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N(C)c1ccccc1 ZINC000623357591 353623638 /nfs/dbraw/zinc/62/36/38/353623638.db2.gz XDJFMKZCFOSANG-HOTGVXAUSA-N 2 0 289.467 2.974 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623358666 353624675 /nfs/dbraw/zinc/62/46/75/353624675.db2.gz MBQTVXRFCLWJMI-IXDOHACOSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623375010 353629204 /nfs/dbraw/zinc/62/92/04/353629204.db2.gz YUTKVRPJEFSLHS-OWCLPIDISA-N 2 0 281.488 2.569 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000094528330 540007246 /nfs/dbraw/zinc/00/72/46/540007246.db2.gz UCNSQBOLCWVCLL-UHFFFAOYSA-N 2 0 288.435 2.894 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403815 353635638 /nfs/dbraw/zinc/63/56/38/353635638.db2.gz IIYZLELDKUWCSD-CQSZACIVSA-N 2 0 286.423 2.773 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623402833 353636072 /nfs/dbraw/zinc/63/60/72/353636072.db2.gz BOGDSCDYCMQBOI-MRXNPFEDSA-N 3 0 281.488 2.571 20 0 CFADRP Cc1noc(C)c1[C@@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623419197 353638625 /nfs/dbraw/zinc/63/86/25/353638625.db2.gz ZHKYRNWIJUFCFS-ZWNOBZJWSA-N 2 0 265.401 2.815 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccccc2)CC1(C)C ZINC000623424226 353640464 /nfs/dbraw/zinc/64/04/64/353640464.db2.gz HVLWXYMTFOFSNW-MRXNPFEDSA-N 2 0 275.440 2.951 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623436747 353643858 /nfs/dbraw/zinc/64/38/58/353643858.db2.gz CIDKQWYRDVJVHM-CHWSQXEVSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623440694 353645732 /nfs/dbraw/zinc/64/57/32/353645732.db2.gz HAMJJWGGPCGECK-DZGCQCFKSA-N 2 0 261.413 2.648 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623454148 353648631 /nfs/dbraw/zinc/64/86/31/353648631.db2.gz VFZXPPWCZMZIMB-UONOGXRCSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1(C)C ZINC000623454851 353648744 /nfs/dbraw/zinc/64/87/44/353648744.db2.gz QPGRRHOBDHTCJV-LZWOXQAQSA-N 2 0 298.496 2.504 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623470426 353651567 /nfs/dbraw/zinc/65/15/67/353651567.db2.gz KRQMBPXDUPOFLC-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623336199 353616602 /nfs/dbraw/zinc/61/66/02/353616602.db2.gz BLICIFNZDAILPH-CQSZACIVSA-N 2 0 292.423 2.666 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335567 353616882 /nfs/dbraw/zinc/61/68/82/353616882.db2.gz SMSYCVHTTFREEK-HOTGVXAUSA-N 3 0 283.504 2.959 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)CC1(C)C ZINC000623526691 353663910 /nfs/dbraw/zinc/66/39/10/353663910.db2.gz OACFLVWEKFEYGX-KGLIPLIRSA-N 2 0 274.408 2.625 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623528739 353664759 /nfs/dbraw/zinc/66/47/59/353664759.db2.gz AHQUXPPKYKXORG-CABCVRRESA-N 2 0 269.477 2.569 20 0 CFADRP CCc1ncc(CNC[C@H]2CCCC[N@H+](C)C2)s1 ZINC000623656323 353696367 /nfs/dbraw/zinc/69/63/67/353696367.db2.gz SAGOMPWEXZFKAW-GFCCVEGCSA-N 2 0 267.442 2.527 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623536375 353666526 /nfs/dbraw/zinc/66/65/26/353666526.db2.gz UBGMXQSFSPQHOY-SJORKVTESA-N 2 0 295.515 2.959 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623544056 353668180 /nfs/dbraw/zinc/66/81/80/353668180.db2.gz KKULERALTAAPOD-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC1(C)C ZINC000623557529 353671293 /nfs/dbraw/zinc/67/12/93/353671293.db2.gz AJSWYSZCEBLLTG-MCIONIFRSA-N 2 0 268.445 2.795 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1(C)C ZINC000623560311 353671718 /nfs/dbraw/zinc/67/17/18/353671718.db2.gz AZUBPQJNBOBJBK-JYJNAYRXSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623570730 353674121 /nfs/dbraw/zinc/67/41/21/353674121.db2.gz BYOAUQPFVNDHTR-JKSUJKDBSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC1(C)C ZINC000623575186 353676587 /nfs/dbraw/zinc/67/65/87/353676587.db2.gz PAPPJIOYSZRASB-DLBZAZTESA-N 2 0 293.499 2.571 20 0 CFADRP Clc1cnccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000623575210 353676927 /nfs/dbraw/zinc/67/69/27/353676927.db2.gz PLTMEBSWYKSAOT-UHFFFAOYSA-N 2 0 293.842 2.947 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cccc(F)c2F)C1 ZINC000623656523 353697223 /nfs/dbraw/zinc/69/72/23/353697223.db2.gz WCRKBGJNMXTHIU-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP COCC[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623487651 353655062 /nfs/dbraw/zinc/65/50/62/353655062.db2.gz LOUCGWKSUGZGHP-KBPBESRZSA-N 2 0 280.412 2.820 20 0 CFADRP C[C@H](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000623490224 353655869 /nfs/dbraw/zinc/65/58/69/353655869.db2.gz BKDLNMVEJFLPCB-CVEARBPZSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000623657793 353699272 /nfs/dbraw/zinc/69/92/72/353699272.db2.gz ZCLPLJQKHYFIBW-OAHLLOKOSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC1(C)C ZINC000623741367 353716063 /nfs/dbraw/zinc/71/60/63/353716063.db2.gz OZTZSPJKOXHNIC-HLPPOEQASA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCCO1 ZINC000623894880 353752047 /nfs/dbraw/zinc/75/20/47/353752047.db2.gz DERKMAAHUTXJLZ-ZNMIVQPWSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000623923041 353760173 /nfs/dbraw/zinc/76/01/73/353760173.db2.gz RFLVXNRVYNBBSD-PRLABOORSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCO1 ZINC000624017417 353786001 /nfs/dbraw/zinc/78/60/01/353786001.db2.gz ZXFVDMXFONONJT-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1csc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000623998780 353779913 /nfs/dbraw/zinc/77/99/13/353779913.db2.gz AGHVFBSBUPXGAL-QWHCGFSZSA-N 2 0 267.442 2.834 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000623857646 353741321 /nfs/dbraw/zinc/74/13/21/353741321.db2.gz SSRSOACOJDZKCT-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C12CCC2 ZINC000624121646 353810764 /nfs/dbraw/zinc/81/07/64/353810764.db2.gz ADBVWPXBTKROLT-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)n1 ZINC000624121980 353811454 /nfs/dbraw/zinc/81/14/54/353811454.db2.gz HEWGBAFSPAGQFE-JKSUJKDBSA-N 2 0 292.471 2.717 20 0 CFADRP CC(C)Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624227545 353841889 /nfs/dbraw/zinc/84/18/89/353841889.db2.gz SUHBAQLKDOFWAG-CRAIPNDOSA-N 2 0 290.451 2.602 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000624271814 353852879 /nfs/dbraw/zinc/85/28/79/353852879.db2.gz FPSZBKUKLSSZPB-IRXDYDNUSA-N 2 0 258.409 2.618 20 0 CFADRP CCO[C@@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000625128604 353980939 /nfs/dbraw/zinc/98/09/39/353980939.db2.gz CIAJCYZMMYZDLW-INIZCTEOSA-N 2 0 268.445 2.606 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000625252728 354004840 /nfs/dbraw/zinc/00/48/40/354004840.db2.gz IYAJKXHZEPEIEE-ZWKOTPCHSA-N 2 0 295.515 2.915 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000625561849 354069818 /nfs/dbraw/zinc/06/98/18/354069818.db2.gz WUWVGHSNEZWGQP-RDJZCZTQSA-N 2 0 282.472 2.734 20 0 CFADRP Cc1cccc(CCC[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000625434969 354044441 /nfs/dbraw/zinc/04/44/41/354044441.db2.gz BNQXXFZVIDZUPT-UHFFFAOYSA-N 2 0 255.365 2.709 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335044191 282995331 /nfs/dbraw/zinc/99/53/31/282995331.db2.gz XQPDMWDTZJUIBM-ZBFHGGJFSA-N 2 0 262.372 2.935 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625836880 354123402 /nfs/dbraw/zinc/12/34/02/354123402.db2.gz OENOXJSLZPQFJE-MRXNPFEDSA-N 2 0 270.461 2.639 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000625984801 354160337 /nfs/dbraw/zinc/16/03/37/354160337.db2.gz OJNWVTYCZMYEFI-DLBZAZTESA-N 2 0 278.440 2.594 20 0 CFADRP CC[N@H+](CCOCC1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061993 354183175 /nfs/dbraw/zinc/18/31/75/354183175.db2.gz CEFNCTUQPGYDQD-UHFFFAOYSA-N 2 0 290.451 2.997 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000420308273 283005093 /nfs/dbraw/zinc/00/50/93/283005093.db2.gz CVLKVYSWOWYPOC-CKEIUWERSA-N 2 0 274.383 2.744 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)Cc2cccc3n[nH]cc32)CC1 ZINC000628149054 354448034 /nfs/dbraw/zinc/44/80/34/354448034.db2.gz KXWBZDUYOKYJEU-UHFFFAOYSA-N 2 0 286.423 2.869 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)C[C@H]1C ZINC000628183205 354463847 /nfs/dbraw/zinc/46/38/47/354463847.db2.gz UAYLLZZNYPWYEP-UKRRQHHQSA-N 2 0 286.423 2.868 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@]2(C)CCCS2)C1 ZINC000628186265 354466194 /nfs/dbraw/zinc/46/61/94/354466194.db2.gz DMYPNRXEAKNHHY-HOTGVXAUSA-N 2 0 282.497 2.936 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC(F)(F)C1 ZINC000628204119 354475164 /nfs/dbraw/zinc/47/51/64/354475164.db2.gz LEEGZYVSDPTAAK-DRZSPHRISA-N 2 0 258.356 2.637 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000628202830 354475370 /nfs/dbraw/zinc/47/53/70/354475370.db2.gz JKPGMJIKDJDVHQ-ZDUSSCGKSA-N 2 0 279.428 2.893 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000628208853 354477419 /nfs/dbraw/zinc/47/74/19/354477419.db2.gz GBWFAIWQCXYCCO-CVEARBPZSA-N 2 0 282.472 2.639 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628214150 354480054 /nfs/dbraw/zinc/48/00/54/354480054.db2.gz MHHAFQFVJSPJJP-UHFFFAOYSA-N 2 0 277.412 2.764 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@]1(C)CCCS1 ZINC000628323115 354546336 /nfs/dbraw/zinc/54/63/36/354546336.db2.gz AGRSDDQTHHPPOB-AWEZNQCLSA-N 2 0 258.475 2.840 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@]3(C)CCCS3)C2)C1 ZINC000628295179 354524655 /nfs/dbraw/zinc/52/46/55/354524655.db2.gz DRPVUZMOFPBMOB-GJZGRUSLSA-N 2 0 268.470 2.690 20 0 CFADRP CCSc1ccccc1[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529272 354832923 /nfs/dbraw/zinc/83/29/23/354832923.db2.gz XKCFXCMAYFLYDB-CYBMUJFWSA-N 2 0 282.453 2.685 20 0 CFADRP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387724 354799169 /nfs/dbraw/zinc/79/91/69/354799169.db2.gz JKYVMGWOIBAVFA-ZIAGYGMSSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000629399644 354803331 /nfs/dbraw/zinc/80/33/31/354803331.db2.gz JFZLQEFUQABCJD-HZPDHXFCSA-N 2 0 296.842 2.931 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000629405835 354804257 /nfs/dbraw/zinc/80/42/57/354804257.db2.gz UQXWRIFNTOBGED-JKSUJKDBSA-N 2 0 296.842 2.802 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000629408365 354805021 /nfs/dbraw/zinc/80/50/21/354805021.db2.gz UIELOWMHAILSEZ-RKTXRCNFSA-N 2 0 258.409 2.738 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629530570 354833650 /nfs/dbraw/zinc/83/36/50/354833650.db2.gz KDHOUTFURKERJG-GDBMZVCRSA-N 2 0 296.842 2.802 20 0 CFADRP Oc1ccc(Cl)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629531990 354833774 /nfs/dbraw/zinc/83/37/74/354833774.db2.gz HLQJCEVEYOHQCL-CYBMUJFWSA-N 2 0 294.826 2.867 20 0 CFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000629531629 354833841 /nfs/dbraw/zinc/83/38/41/354833841.db2.gz RWJXIVRWTOWFHX-FPCVCCKLSA-N 2 0 268.445 2.830 20 0 CFADRP Cc1ccc2ncc(C[NH+]3CCC(C[NH3+])CC3)cc2c1 ZINC000629509485 354822982 /nfs/dbraw/zinc/82/29/82/354822982.db2.gz NKXUEKQQWVVPSE-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H]1CCCC1(C)C ZINC000629511725 354823853 /nfs/dbraw/zinc/82/38/53/354823853.db2.gz QGCVAJNEERCIEC-ZIAGYGMSSA-N 2 0 256.434 2.546 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629513775 354824603 /nfs/dbraw/zinc/82/46/03/354824603.db2.gz IAFKLSNHRDWSBF-UGUYLWEFSA-N 2 0 258.409 2.896 20 0 CFADRP CCC[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OCC ZINC000629516142 354825773 /nfs/dbraw/zinc/82/57/73/354825773.db2.gz XTAJIXCAPJNFME-IUODEOHRSA-N 2 0 279.428 2.705 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000629519013 354826910 /nfs/dbraw/zinc/82/69/10/354826910.db2.gz AHRYATVKZIHSQR-KGLIPLIRSA-N 2 0 275.440 2.937 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532200 354834105 /nfs/dbraw/zinc/83/41/05/354834105.db2.gz QPVZLRZNLQXKTH-RDJZCZTQSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629521655 354827826 /nfs/dbraw/zinc/82/78/26/354827826.db2.gz QFWHSDSGRPLKGJ-BLLLJJGKSA-N 2 0 292.398 2.547 20 0 CFADRP CC(C)c1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521717 354827962 /nfs/dbraw/zinc/82/79/62/354827962.db2.gz RVNBOEAZTNOOKY-CQSZACIVSA-N 2 0 276.424 2.969 20 0 CFADRP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCOCC2)C2CC2)cc1 ZINC000629522794 354828535 /nfs/dbraw/zinc/82/85/35/354828535.db2.gz BIXTWGCSLXUFAX-INIZCTEOSA-N 2 0 274.408 2.544 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc2ccccc21 ZINC000629523595 354828582 /nfs/dbraw/zinc/82/85/82/354828582.db2.gz ICHNWKKCZNOQHQ-CQSZACIVSA-N 2 0 284.403 2.998 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)CCCC[NH3+])nc1 ZINC000629522629 354828912 /nfs/dbraw/zinc/82/89/12/354828912.db2.gz FGVVYIGEECOGQQ-CQSZACIVSA-N 2 0 263.429 2.775 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000629522524 354828982 /nfs/dbraw/zinc/82/89/82/354828982.db2.gz CEIRYTCCLYIOGE-HRCADAONSA-N 2 0 287.451 2.645 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000629528508 354832003 /nfs/dbraw/zinc/83/20/03/354832003.db2.gz AYHUOKAZIPVMTG-AWEZNQCLSA-N 2 0 272.392 2.726 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000629529989 354832480 /nfs/dbraw/zinc/83/24/80/354832480.db2.gz SEPDQUFZUKMVKN-LLVKDONJSA-N 2 0 296.798 2.973 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000629530398 354832762 /nfs/dbraw/zinc/83/27/62/354832762.db2.gz FOLRZKPKYKJPOU-OLZOCXBDSA-N 2 0 284.831 2.658 20 0 CFADRP CC(C)Cc1cccc([C@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629536821 354836054 /nfs/dbraw/zinc/83/60/54/354836054.db2.gz HKSFAQOBWIYMPD-HNNXBMFYSA-N 2 0 278.440 2.901 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc2ccccc21 ZINC000629537980 354836627 /nfs/dbraw/zinc/83/66/27/354836627.db2.gz JMVXIMVNZZZFBE-CQSZACIVSA-N 2 0 272.392 2.856 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2ccsc2S1 ZINC000629538852 354837453 /nfs/dbraw/zinc/83/74/53/354837453.db2.gz NCAZSIDSJCPXEC-JQWIXIFHSA-N 2 0 286.466 2.629 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629654134 354878443 /nfs/dbraw/zinc/87/84/43/354878443.db2.gz MPRSIRSCMCNMOP-MRXNPFEDSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H]1C[NH+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000629552474 354846018 /nfs/dbraw/zinc/84/60/18/354846018.db2.gz KLWRESWNYXHONH-UPJWGTAASA-N 2 0 260.372 2.599 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000629653944 354878500 /nfs/dbraw/zinc/87/85/00/354878500.db2.gz NRIRKVXMNBOMSQ-CABCVRRESA-N 2 0 292.423 2.638 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000629555681 354847130 /nfs/dbraw/zinc/84/71/30/354847130.db2.gz APHSEHDDDGEPNA-ZIAGYGMSSA-N 2 0 277.799 2.833 20 0 CFADRP CCOCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629573455 354849200 /nfs/dbraw/zinc/84/92/00/354849200.db2.gz CXTKAIJFGLXWEY-MAUKXSAKSA-N 2 0 288.435 2.622 20 0 CFADRP C[N@H+](CCOCC[NH3+])Cc1sc2ccccc2c1Cl ZINC000629578967 354850437 /nfs/dbraw/zinc/85/04/37/354850437.db2.gz HVIXBTDMWSERJO-UHFFFAOYSA-N 2 0 298.839 2.962 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc12 ZINC000629580949 354850599 /nfs/dbraw/zinc/85/05/99/354850599.db2.gz ZRELRAILRMTXEB-QGZVFWFLSA-N 2 0 298.430 2.695 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000629584718 354851215 /nfs/dbraw/zinc/85/12/15/354851215.db2.gz DQYVVBKGVRBHLP-YESZJQIVSA-N 2 0 274.383 2.744 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1F ZINC000629588434 354852615 /nfs/dbraw/zinc/85/26/15/354852615.db2.gz HSUGUEFHDQPOES-ZFWWWQNUSA-N 2 0 292.398 2.623 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCCC1CCOCC1)C2 ZINC000629596433 354854898 /nfs/dbraw/zinc/85/48/98/354854898.db2.gz ZDMYNWVIQVIFCV-CALCHBBNSA-N 2 0 280.456 2.515 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000629707253 354902626 /nfs/dbraw/zinc/90/26/26/354902626.db2.gz REIWOVBOZODZSV-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(O)cc3)c2)CC1 ZINC000629739455 354917785 /nfs/dbraw/zinc/91/77/85/354917785.db2.gz WXYHIFZNRDZENT-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000271766362 191313468 /nfs/dbraw/zinc/31/34/68/191313468.db2.gz AITNPPPMCKYJHU-UHFFFAOYSA-N 2 0 282.334 2.640 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000178261141 540088440 /nfs/dbraw/zinc/08/84/40/540088440.db2.gz YJVOFKHQAUTEJQ-PXAZEXFGSA-N 2 0 295.386 2.532 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000136529228 540118419 /nfs/dbraw/zinc/11/84/19/540118419.db2.gz KWLVYPOWASYYEH-BXKDBHETSA-N 2 0 255.431 2.784 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271833484 191355666 /nfs/dbraw/zinc/35/56/66/191355666.db2.gz FNALBSQPHSFGCI-ZDUSSCGKSA-N 2 0 290.407 2.616 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000271810882 191341427 /nfs/dbraw/zinc/34/14/27/191341427.db2.gz AQLOTNCBSICUCE-CYBMUJFWSA-N 2 0 291.464 2.934 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000271817120 191344447 /nfs/dbraw/zinc/34/44/47/191344447.db2.gz BQMPIMMAIMHTIM-UHFFFAOYSA-N 2 0 299.462 2.503 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000271876064 191384213 /nfs/dbraw/zinc/38/42/13/191384213.db2.gz ZIBYJAXGTVRELM-UHFFFAOYSA-N 2 0 250.773 2.692 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631042950 355262417 /nfs/dbraw/zinc/26/24/17/355262417.db2.gz OKWGDJBNBUAQIL-AWEZNQCLSA-N 2 0 277.412 2.531 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)CCO2 ZINC000271848707 191366343 /nfs/dbraw/zinc/36/63/43/191366343.db2.gz IIXMLOKRPYXKTH-ZDUSSCGKSA-N 2 0 272.392 2.534 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000271856789 191371727 /nfs/dbraw/zinc/37/17/27/191371727.db2.gz YLIRVQFGKWDOES-DLBZAZTESA-N 2 0 276.424 2.574 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271866927 191376431 /nfs/dbraw/zinc/37/64/31/191376431.db2.gz LPKMOMFBSCUJJT-CYBMUJFWSA-N 2 0 262.372 2.608 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1Cl ZINC000271866964 191377105 /nfs/dbraw/zinc/37/71/05/191377105.db2.gz LQZXDRRKXDXBPT-LLVKDONJSA-N 2 0 265.788 2.648 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C)cc1F ZINC000631087001 355284625 /nfs/dbraw/zinc/28/46/25/355284625.db2.gz JDNGVZBSJQCORU-HNNXBMFYSA-N 2 0 282.403 2.581 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000631245448 355372308 /nfs/dbraw/zinc/37/23/08/355372308.db2.gz MCJKCNNCOSGSPD-YESZJQIVSA-N 2 0 292.467 2.942 20 0 CFADRP CC(C)(F)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000631189797 355340441 /nfs/dbraw/zinc/34/04/41/355340441.db2.gz DHKXUQQOEFWSBE-UHFFFAOYSA-N 2 0 294.414 2.999 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCO[C@H]1C ZINC000631196013 355342934 /nfs/dbraw/zinc/34/29/34/355342934.db2.gz MTFSVZVTNWPTJW-FZCLSBEQSA-N 2 0 288.435 2.522 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000631204750 355349822 /nfs/dbraw/zinc/34/98/22/355349822.db2.gz FCOIXKRSSYGBAT-SOLBZPMBSA-N 2 0 294.483 2.924 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)CCC1 ZINC000666234111 540149166 /nfs/dbraw/zinc/14/91/66/540149166.db2.gz RIEBKJGYXLGCMI-CQSZACIVSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC1(N(C)C)CC1 ZINC000669428210 540149591 /nfs/dbraw/zinc/14/95/91/540149591.db2.gz DHKBALKNPSAOOJ-GFCCVEGCSA-N 2 0 252.427 2.753 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631590077 355504968 /nfs/dbraw/zinc/50/49/68/355504968.db2.gz GFYAYQSNRQIJEW-ULQDDVLXSA-N 2 0 292.467 2.797 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631652584 355534051 /nfs/dbraw/zinc/53/40/51/355534051.db2.gz SPFVMSSEVXUZAG-QAETUUGQSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc2c1CCOC2 ZINC000631821805 355595387 /nfs/dbraw/zinc/59/53/87/355595387.db2.gz JRQMZLDYPKPVRS-QGZVFWFLSA-N 2 0 276.424 2.565 20 0 CFADRP FC1(F)CC[C@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000631820903 355595627 /nfs/dbraw/zinc/59/56/27/355595627.db2.gz JWFHWYAWCONEPS-NSHDSACASA-N 2 0 258.356 2.638 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000631827643 355597325 /nfs/dbraw/zinc/59/73/25/355597325.db2.gz SGPCQFYIEKGCOB-BFHYXJOUSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Cl)C[C@H]1C[NH3+] ZINC000631838681 355601832 /nfs/dbraw/zinc/60/18/32/355601832.db2.gz SQIXVUHXMXIIRS-UEKVPHQBSA-N 2 0 264.800 2.854 20 0 CFADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863702 355608777 /nfs/dbraw/zinc/60/87/77/355608777.db2.gz BIHOSCBNNJRLNY-HNNXBMFYSA-N 2 0 298.430 2.947 20 0 CFADRP Fc1cccc(O[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000631879000 355611438 /nfs/dbraw/zinc/61/14/38/355611438.db2.gz HQXHJSGRLGWYPQ-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229247685 540176436 /nfs/dbraw/zinc/17/64/36/540176436.db2.gz PGDNGHARLYUECB-ZNMIVQPWSA-N 2 0 266.429 2.537 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3O)CC2)C1 ZINC000631740828 355571775 /nfs/dbraw/zinc/57/17/75/355571775.db2.gz JQTZTLLLQUFHSU-HJWJTTGWSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000631743151 355573586 /nfs/dbraw/zinc/57/35/86/355573586.db2.gz NSOPYVDDLUDEMX-RRQGHBQHSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000334624940 540193493 /nfs/dbraw/zinc/19/34/93/540193493.db2.gz RJXIFMVGKPUVNH-ZIAGYGMSSA-N 2 0 272.383 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000247173890 540194163 /nfs/dbraw/zinc/19/41/63/540194163.db2.gz USWYSZPKJONURO-WBMJQRKESA-N 2 0 262.372 2.744 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@@H]21 ZINC000230131335 540200304 /nfs/dbraw/zinc/20/03/04/540200304.db2.gz MAWQZUPJUDCKHH-VBNZEHGJSA-N 2 0 294.439 2.977 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000358364939 283140871 /nfs/dbraw/zinc/14/08/71/283140871.db2.gz HCWNXXOOEDTVHW-YRXWBPOGSA-N 2 0 299.462 2.648 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000453069489 540225250 /nfs/dbraw/zinc/22/52/50/540225250.db2.gz BTVSOWAVWPKRIZ-JKSUJKDBSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000336268415 283170230 /nfs/dbraw/zinc/17/02/30/283170230.db2.gz JKWZEWZXIOMUPH-KGLIPLIRSA-N 2 0 272.383 2.840 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423141520 283179267 /nfs/dbraw/zinc/17/92/67/283179267.db2.gz QMWDFVMUHHSRLN-RYRKJORJSA-N 2 0 291.483 2.655 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423132708 283186708 /nfs/dbraw/zinc/18/67/08/283186708.db2.gz CAANOILTJGIOTM-KBPBESRZSA-N 2 0 292.471 2.620 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086896143 540255516 /nfs/dbraw/zinc/25/55/16/540255516.db2.gz FIXQCNCIRIUJMG-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000568075461 290522138 /nfs/dbraw/zinc/52/21/38/290522138.db2.gz YVSLEWPTPMGVHJ-HXSCFSKGSA-N 2 0 292.427 2.511 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2SCCc3ccccc32)C1 ZINC000568247821 290539629 /nfs/dbraw/zinc/53/96/29/290539629.db2.gz YENZWRLZHNRWCE-YCPHGPKFSA-N 2 0 276.449 2.877 20 0 CFADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000666260446 540262045 /nfs/dbraw/zinc/26/20/45/540262045.db2.gz WTUNUENLUSEAHJ-UHFFFAOYSA-N 2 0 287.451 2.823 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000336907445 540270858 /nfs/dbraw/zinc/27/08/58/540270858.db2.gz ZCNBFPPKONHLPJ-QGZVFWFLSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071871 540281892 /nfs/dbraw/zinc/28/18/92/540281892.db2.gz UFSMBKVCMWQVNQ-NCOADZHNSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068172 540282907 /nfs/dbraw/zinc/28/29/07/540282907.db2.gz POHVBGUBOUAPAH-SJORKVTESA-N 2 0 288.435 2.844 20 0 CFADRP O[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000294453130 199044986 /nfs/dbraw/zinc/04/49/86/199044986.db2.gz VSFGBIGEBXCKTL-JYJNAYRXSA-N 2 0 294.826 2.590 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000666260916 540332082 /nfs/dbraw/zinc/33/20/82/540332082.db2.gz DAHSUFLQFRYAOQ-CQSZACIVSA-N 2 0 275.440 2.679 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000038040485 299273677 /nfs/dbraw/zinc/27/36/77/299273677.db2.gz FCBMZVNOIJIBEY-ORVZXPRGSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1sccc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000294705805 199143411 /nfs/dbraw/zinc/14/34/11/199143411.db2.gz OKDKPFXZFUSOJM-AWEZNQCLSA-N 2 0 252.427 2.973 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000449558746 295969638 /nfs/dbraw/zinc/96/96/38/295969638.db2.gz ZRJYGLQSVJPPBV-VYDXJSESSA-N 2 0 281.488 2.569 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000294795640 199187376 /nfs/dbraw/zinc/18/73/76/199187376.db2.gz MKHASQUOALLNFM-GOSISDBHSA-N 2 0 290.451 2.707 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@H](C)C1 ZINC000294831318 199203533 /nfs/dbraw/zinc/20/35/33/199203533.db2.gz QANRFNBXVHQXMQ-CABCVRRESA-N 2 0 275.440 2.679 20 0 CFADRP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000294867677 199221697 /nfs/dbraw/zinc/22/16/97/199221697.db2.gz DOFNXBRSVNLPFJ-QZTJIDSGSA-N 2 0 290.451 2.518 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420318371 236614806 /nfs/dbraw/zinc/61/48/06/236614806.db2.gz OPDCXWGNYGIQEC-NEPJUHHUSA-N 2 0 268.351 2.957 20 0 CFADRP Cc1ccc(CCC[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000421371593 236784482 /nfs/dbraw/zinc/78/44/82/236784482.db2.gz LFFXHSIWIJFEEC-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000421371107 236784993 /nfs/dbraw/zinc/78/49/93/236784993.db2.gz JVFSWNHRUMKROP-ARJAWSKDSA-N 2 0 259.397 2.557 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1COc2ccccc21 ZINC000420403198 299287773 /nfs/dbraw/zinc/28/77/73/299287773.db2.gz KUIOYZLKTQZMAC-BBRMVZONSA-N 2 0 274.408 2.530 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678428490 540433043 /nfs/dbraw/zinc/43/30/43/540433043.db2.gz UAZYXKRNFMKHMR-UONOGXRCSA-N 2 0 261.413 2.771 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000093491508 540430958 /nfs/dbraw/zinc/43/09/58/540430958.db2.gz WEIKCKDDSXNPEU-QLFBSQMISA-N 2 0 293.480 2.894 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc3c2CCCN3)CC1 ZINC000415030544 283426999 /nfs/dbraw/zinc/42/69/99/283426999.db2.gz GIASJEHWMVCHAU-UHFFFAOYSA-N 2 0 273.424 2.652 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccncc1Cl ZINC000421822705 236934293 /nfs/dbraw/zinc/93/42/93/236934293.db2.gz BCWMGBXKBWYLSV-NSHDSACASA-N 2 0 255.793 2.727 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000092741996 299290098 /nfs/dbraw/zinc/29/00/98/299290098.db2.gz YVZQFTNESJACAX-XHSDSOJGSA-N 2 0 291.439 2.622 20 0 CFADRP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000094341895 540447879 /nfs/dbraw/zinc/44/78/79/540447879.db2.gz YPLVPVAAFHZDDX-FZMZJTMJSA-N 2 0 268.401 2.587 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000094472611 540451932 /nfs/dbraw/zinc/45/19/32/540451932.db2.gz YMQAAMUVFHFDFJ-JSGCOSHPSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423186918 299291464 /nfs/dbraw/zinc/29/14/64/299291464.db2.gz KOHHRETZRAFFMP-WHXUTIOJSA-N 2 0 252.324 2.682 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000422735433 237149136 /nfs/dbraw/zinc/14/91/36/237149136.db2.gz USIDNAPCGSSPFU-QXKUPLGCSA-N 2 0 268.445 2.545 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H](C)CCCC[NH3+] ZINC000422737152 237150453 /nfs/dbraw/zinc/15/04/53/237150453.db2.gz HQGMUBUTVUXSDY-OAHLLOKOSA-N 2 0 264.413 2.871 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422741303 237155040 /nfs/dbraw/zinc/15/50/40/237155040.db2.gz PKQYWRDXFKCLGH-GXTWGEPZSA-N 2 0 286.341 2.965 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703123 237122137 /nfs/dbraw/zinc/12/21/37/237122137.db2.gz MCJHPANQHBHWOY-SZMVWBNQSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700203 237123192 /nfs/dbraw/zinc/12/31/92/237123192.db2.gz BRVRXDDOQWPBDE-AWEZNQCLSA-N 2 0 293.430 2.507 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000422708980 237127326 /nfs/dbraw/zinc/12/73/26/237127326.db2.gz COVHRXPESWGBEE-SJORKVTESA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422710176 237127855 /nfs/dbraw/zinc/12/78/55/237127855.db2.gz FAXCKFJULWKJTA-UONOGXRCSA-N 2 0 293.430 2.506 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422709611 237129538 /nfs/dbraw/zinc/12/95/38/237129538.db2.gz KUHVVEAFBJDSSM-QZTJIDSGSA-N 2 0 290.451 2.743 20 0 CFADRP C[C@@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)C1C[NH2+]C1 ZINC000422716391 237131498 /nfs/dbraw/zinc/13/14/98/237131498.db2.gz UMLFZQWGGZYODQ-MLGOLLRUSA-N 2 0 294.414 2.817 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000422720146 237134713 /nfs/dbraw/zinc/13/47/13/237134713.db2.gz ZVAXETMMXHSULS-OWCLPIDISA-N 2 0 270.461 2.935 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422718747 237135520 /nfs/dbraw/zinc/13/55/20/237135520.db2.gz PYEFHZXLEXKCKS-LSDHHAIUSA-N 2 0 282.815 2.968 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc21 ZINC000422722745 237139795 /nfs/dbraw/zinc/13/97/95/237139795.db2.gz YVPLQPYEWQMSMM-PVAVHDDUSA-N 2 0 287.451 2.545 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422768532 237184768 /nfs/dbraw/zinc/18/47/68/237184768.db2.gz UQZHGBJAUCOLRJ-XUWVNRHRSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770723 237185116 /nfs/dbraw/zinc/18/51/16/237185116.db2.gz XBJABHZNBHIFQN-GZBFAFLISA-N 2 0 279.403 2.510 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C)c1C ZINC000422748146 237161951 /nfs/dbraw/zinc/16/19/51/237161951.db2.gz SFBRBWXMTFTZFT-GJZGRUSLSA-N 2 0 264.413 2.708 20 0 CFADRP Cc1cccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422775560 237191384 /nfs/dbraw/zinc/19/13/84/237191384.db2.gz BWCSLNOJTBIMQX-JTUUTPGSSA-N 2 0 258.409 2.971 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000422752375 237165310 /nfs/dbraw/zinc/16/53/10/237165310.db2.gz CSSZPFNQJVDBRG-IGQOVBAYSA-N 2 0 256.434 2.543 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250609827 540530374 /nfs/dbraw/zinc/53/03/74/540530374.db2.gz YSPVJUYLEUXUFF-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000250893688 540532057 /nfs/dbraw/zinc/53/20/57/540532057.db2.gz GFIKOUJJRJXKCK-MGPQQGTHSA-N 2 0 279.453 2.504 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422765521 237178878 /nfs/dbraw/zinc/17/88/78/237178878.db2.gz WJGDIISKNFVUMM-ZBFHGGJFSA-N 2 0 261.413 2.596 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422765520 237179030 /nfs/dbraw/zinc/17/90/30/237179030.db2.gz WJGDIISKNFVUMM-HOCLYGCPSA-N 2 0 261.413 2.596 20 0 CFADRP COCc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000422763820 237179166 /nfs/dbraw/zinc/17/91/66/237179166.db2.gz NRJCLGNSQJWHPE-XJKSGUPXSA-N 2 0 280.387 2.579 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(F)c1 ZINC000422796036 237217902 /nfs/dbraw/zinc/21/79/02/237217902.db2.gz XKUVSYCHPDOJCN-IOASZLSFSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422794879 237218517 /nfs/dbraw/zinc/21/85/17/237218517.db2.gz HEJUCSPHARSFRT-JMSVASOKSA-N 2 0 282.815 2.824 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422794695 237219005 /nfs/dbraw/zinc/21/90/05/237219005.db2.gz UQUSHBNTELSCAL-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000422798317 237222753 /nfs/dbraw/zinc/22/27/53/237222753.db2.gz QPCMJQLABNCJPL-ZETOZRRWSA-N 2 0 268.351 2.785 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2cc(C)cc(C)c2)CC[C@H]1[NH3+] ZINC000251759909 540550604 /nfs/dbraw/zinc/55/06/04/540550604.db2.gz LVWQUXVSNZLGDH-DOTOQJQBSA-N 2 0 276.424 2.741 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422801866 237225199 /nfs/dbraw/zinc/22/51/99/237225199.db2.gz GJKWKVDXJMDWOC-ZDUSSCGKSA-N 2 0 299.418 2.846 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000251789907 540552094 /nfs/dbraw/zinc/55/20/94/540552094.db2.gz NNBULOAORNBJDQ-TZMCWYRMSA-N 2 0 284.350 2.847 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Sc1ccccc1 ZINC000422781100 237197790 /nfs/dbraw/zinc/19/77/90/237197790.db2.gz DQNAUUMXUMNPCF-RWMBFGLXSA-N 2 0 252.427 2.883 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])Oc1cccc(F)c1 ZINC000422781128 237199777 /nfs/dbraw/zinc/19/97/77/237199777.db2.gz DSKWUVAFPLESJD-QWHCGFSZSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Sc1ccccc1 ZINC000422785767 237206015 /nfs/dbraw/zinc/20/60/15/237206015.db2.gz JYXSCSGUGGRZFI-VNHYZAJKSA-N 2 0 264.438 2.884 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422784694 237207046 /nfs/dbraw/zinc/20/70/46/237207046.db2.gz OGTUTAIISBBILM-BRSBDYLESA-N 2 0 293.499 2.617 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)c[nH]c21 ZINC000422788700 237209551 /nfs/dbraw/zinc/20/95/51/237209551.db2.gz STALLWMOGMKHQO-SUMWQHHRSA-N 2 0 285.435 2.997 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422786172 237209859 /nfs/dbraw/zinc/20/98/59/237209859.db2.gz SHELUPZCNPHTCD-UNEWFSDZSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1Cn1cccn1 ZINC000422790439 237210779 /nfs/dbraw/zinc/21/07/79/237210779.db2.gz BYFQXWUVLFVVNN-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000422816172 237243118 /nfs/dbraw/zinc/24/31/18/237243118.db2.gz ZHIDZUHORLITLY-RBSFLKMASA-N 2 0 270.461 2.948 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc2ccccc2c1 ZINC000422815567 237243128 /nfs/dbraw/zinc/24/31/28/237243128.db2.gz XXQJKPWNKHKQQJ-UONOGXRCSA-N 2 0 272.392 2.934 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422835296 237262800 /nfs/dbraw/zinc/26/28/00/237262800.db2.gz PFEIASSHGOWMTF-ZWKOTPCHSA-N 2 0 298.434 2.681 20 0 CFADRP Cc1cc(Br)cc(C)c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422823458 237251791 /nfs/dbraw/zinc/25/17/91/237251791.db2.gz LRFJIZLMGHZWGN-NSHDSACASA-N 2 0 297.240 2.763 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252419526 540562588 /nfs/dbraw/zinc/56/25/88/540562588.db2.gz ZRSMBCNHYOGYIR-SJLPKXTDSA-N 2 0 288.435 2.702 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422828979 237255075 /nfs/dbraw/zinc/25/50/75/237255075.db2.gz UGDPMDQVEDHBQE-FUHWJXTLSA-N 2 0 298.434 2.522 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422825968 237255216 /nfs/dbraw/zinc/25/52/16/237255216.db2.gz QIZVCWVPBZVZSE-QZTJIDSGSA-N 2 0 298.434 2.664 20 0 CFADRP COCc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422802482 237228974 /nfs/dbraw/zinc/22/89/74/237228974.db2.gz DGWOJQNBPBEKPS-CYBMUJFWSA-N 2 0 299.418 2.846 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422806519 237231613 /nfs/dbraw/zinc/23/16/13/237231613.db2.gz NMFABFMIWNFMPQ-QWRGUYRKSA-N 2 0 290.329 2.843 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CC[C@H]1[NH3+] ZINC000252834500 540568595 /nfs/dbraw/zinc/56/85/95/540568595.db2.gz RHZBVYLFBFMMBR-IIAWOOMASA-N 2 0 274.408 2.612 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000252909918 540569341 /nfs/dbraw/zinc/56/93/41/540569341.db2.gz BKJPXHQYBFYVKE-SYAUCNOPSA-N 2 0 250.430 2.933 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422808097 237233649 /nfs/dbraw/zinc/23/36/49/237233649.db2.gz AFKLDDUYEDYOFI-MGPQQGTHSA-N 2 0 264.413 2.904 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422809725 237234594 /nfs/dbraw/zinc/23/45/94/237234594.db2.gz QHYAIUSJSPDGSO-FGTMMUONSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422808794 237234918 /nfs/dbraw/zinc/23/49/18/237234918.db2.gz QWKVOLXWIAQZNH-UXLLHSPISA-N 2 0 275.440 2.539 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000422811578 237235526 /nfs/dbraw/zinc/23/55/26/237235526.db2.gz PHCLNTKIAJLJLG-NHYWBVRUSA-N 2 0 279.428 2.560 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000422813932 237239686 /nfs/dbraw/zinc/23/96/86/237239686.db2.gz ZEGJYPNVDGDFAC-LLVKDONJSA-N 2 0 273.355 2.839 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000422814631 237241438 /nfs/dbraw/zinc/24/14/38/237241438.db2.gz VQRFPNVOFQFZBR-SJORKVTESA-N 2 0 278.440 2.770 20 0 CFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422849273 237274108 /nfs/dbraw/zinc/27/41/08/237274108.db2.gz BTBNSGDBXRGZDT-GJZGRUSLSA-N 2 0 294.439 2.626 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCCC1CCCCC1 ZINC000422853981 237275954 /nfs/dbraw/zinc/27/59/54/237275954.db2.gz ZTEAQLNQYVMNEQ-OAHLLOKOSA-N 2 0 256.434 2.690 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1F ZINC000422853655 237277707 /nfs/dbraw/zinc/27/77/07/237277707.db2.gz SMGOINSBDAESGL-LBPRGKRZSA-N 2 0 252.377 2.820 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422855649 237277799 /nfs/dbraw/zinc/27/77/99/237277799.db2.gz CXISWJNEDWAMRM-QZTJIDSGSA-N 2 0 298.434 2.664 20 0 CFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422864563 237284143 /nfs/dbraw/zinc/28/41/43/237284143.db2.gz VIKWAQDEXLPDOL-GHMZBOCLSA-N 2 0 297.830 2.692 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(Br)c1 ZINC000422867155 237285657 /nfs/dbraw/zinc/28/56/57/237285657.db2.gz RRCVWOXNHGZNKM-HTQZYQBOSA-N 2 0 277.231 2.726 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(OC(C)C)c1 ZINC000422873509 237293328 /nfs/dbraw/zinc/29/33/28/237293328.db2.gz LIBCFPACZCTHKM-GOEBONIOSA-N 2 0 276.424 2.999 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422880573 237298661 /nfs/dbraw/zinc/29/86/61/237298661.db2.gz OMECQGISLIENDF-JKSUJKDBSA-N 2 0 290.451 2.759 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422843502 237268598 /nfs/dbraw/zinc/26/85/98/237268598.db2.gz INLVBWSMJUFJLS-LSDHHAIUSA-N 2 0 268.351 2.757 20 0 CFADRP Cc1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c[nH]c2c1 ZINC000422847791 237271614 /nfs/dbraw/zinc/27/16/14/237271614.db2.gz SADWREPRIOEEMT-XYPWUTKMSA-N 2 0 283.419 2.891 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000666857842 540587715 /nfs/dbraw/zinc/58/77/15/540587715.db2.gz LMYAOMDFCDIDLX-QSPRXWTASA-N 2 0 258.409 2.910 20 0 CFADRP c1cn2c(C[NH2+][C@@H]3CCC[NH2+]CC3)c(C3CC3)nc2s1 ZINC000666856422 540588022 /nfs/dbraw/zinc/58/80/22/540588022.db2.gz HQHIAOPZKQUPJH-GFCCVEGCSA-N 2 0 290.436 2.505 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)C[C@@]1(C)C[NH3+] ZINC000666985240 540603209 /nfs/dbraw/zinc/60/32/09/540603209.db2.gz QJCVRTVTQVJZSV-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCC2)o1 ZINC000422884160 237305531 /nfs/dbraw/zinc/30/55/31/237305531.db2.gz WJGSGCWHSMJDPJ-GOEBONIOSA-N 2 0 293.455 2.832 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893618 237315249 /nfs/dbraw/zinc/31/52/49/237315249.db2.gz AKWHFBKEJPGJBV-NWDGAFQWSA-N 2 0 250.361 2.573 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422904369 237328030 /nfs/dbraw/zinc/32/80/30/237328030.db2.gz XFWJQOCWGCOZLI-RDJZCZTQSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422905170 237328838 /nfs/dbraw/zinc/32/88/38/237328838.db2.gz RLMYBLSYAPDALF-RANZSIQMSA-N 2 0 288.435 2.884 20 0 CFADRP c1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000422909590 237334000 /nfs/dbraw/zinc/33/40/00/237334000.db2.gz GLCMNFHEWZNFSB-WFFDWFOESA-N 2 0 270.420 2.880 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422913813 237337118 /nfs/dbraw/zinc/33/71/18/237337118.db2.gz QULPDBBRCTUADY-UAGQMJEPSA-N 2 0 290.451 2.597 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882087 237301817 /nfs/dbraw/zinc/30/18/17/237301817.db2.gz ACWYAJMWGFDVPJ-XJKSGUPXSA-N 2 0 271.408 2.818 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCCc1cccc(Cl)c1 ZINC000422944607 237374048 /nfs/dbraw/zinc/37/40/48/237374048.db2.gz LNEKFDNZCZVKEU-HNNXBMFYSA-N 2 0 284.831 2.616 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422922897 237355087 /nfs/dbraw/zinc/35/50/87/237355087.db2.gz RDSHKEMGHKIYDY-XUJVJEKNSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1ccccc1Cl ZINC000422923810 237356081 /nfs/dbraw/zinc/35/60/81/237356081.db2.gz SPHDEGWDTZVGAC-MBNYWOFBSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000513204914 540632729 /nfs/dbraw/zinc/63/27/29/540632729.db2.gz XHBHJOGBNGCKKA-XABWRGDLSA-N 2 0 292.467 2.939 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])o2)cs1 ZINC000422933561 237364102 /nfs/dbraw/zinc/36/41/02/237364102.db2.gz BGTFHPSEEWUXPY-YPMHNXCESA-N 2 0 291.420 2.929 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422940299 237372435 /nfs/dbraw/zinc/37/24/35/237372435.db2.gz GVLSOGNNKKPWLP-UKRRQHHQSA-N 2 0 266.816 2.990 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422914039 237340605 /nfs/dbraw/zinc/34/06/05/237340605.db2.gz ZXIJQPIGFHOCNS-STQMWFEESA-N 2 0 293.480 2.672 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422917152 237343822 /nfs/dbraw/zinc/34/38/22/237343822.db2.gz CQNZAJMOBNTDTG-IUODEOHRSA-N 2 0 268.376 2.620 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000401028884 540640724 /nfs/dbraw/zinc/64/07/24/540640724.db2.gz LKLKBOPRKBBAOB-HNNXBMFYSA-N 2 0 275.440 2.561 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422945655 237375262 /nfs/dbraw/zinc/37/52/62/237375262.db2.gz NPCDNKOUBWQHNF-KBPBESRZSA-N 2 0 252.789 2.742 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000682239885 540642665 /nfs/dbraw/zinc/64/26/65/540642665.db2.gz KEOJDGMYQNTXGR-LBPRGKRZSA-N 2 0 271.364 2.694 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422953476 237381673 /nfs/dbraw/zinc/38/16/73/237381673.db2.gz FNWLDOGNTNWUBH-IUCAKERBSA-N 2 0 289.192 2.804 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422953475 237382030 /nfs/dbraw/zinc/38/20/30/237382030.db2.gz FNWLDOGNTNWUBH-DTWKUNHWSA-N 2 0 289.192 2.804 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422954219 237386275 /nfs/dbraw/zinc/38/62/75/237386275.db2.gz HIGUWYLWHCZWPB-QWRGUYRKSA-N 2 0 290.329 2.800 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422959598 237390758 /nfs/dbraw/zinc/39/07/58/237390758.db2.gz SUSHXZMWYZHFHJ-CABCVRRESA-N 2 0 284.350 2.593 20 0 CFADRP Cn1cc(-c2cccc(C[NH2+]C3CCC(C[NH3+])CC3)c2)cn1 ZINC000422968579 237397744 /nfs/dbraw/zinc/39/77/44/237397744.db2.gz XDVFRYUNNIBMNA-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422966578 237398056 /nfs/dbraw/zinc/39/80/56/237398056.db2.gz NTFVGHQRGHYURG-TUKIKUTGSA-N 2 0 278.371 2.756 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000423492201 283485376 /nfs/dbraw/zinc/48/53/76/283485376.db2.gz MBOYAXIIEBLQKT-BFVZDQMLSA-N 2 0 266.335 2.669 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000423062127 237490639 /nfs/dbraw/zinc/49/06/39/237490639.db2.gz SMNVVJKDXFJPQH-APIJFGDWSA-N 2 0 270.461 2.791 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCCC34CCOCC4)ccc12 ZINC000297670553 200257448 /nfs/dbraw/zinc/25/74/48/200257448.db2.gz ZTMTYKSDSHFLEB-INIZCTEOSA-N 2 0 285.391 2.773 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000297686693 200261236 /nfs/dbraw/zinc/26/12/36/200261236.db2.gz POBZTXBZLNKMOU-UHFFFAOYSA-N 2 0 270.420 2.958 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403714426 540673438 /nfs/dbraw/zinc/67/34/38/540673438.db2.gz GLGSAETVRMXOGU-OAGGEKHMSA-N 2 0 250.430 2.744 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000063158880 283503635 /nfs/dbraw/zinc/50/36/35/283503635.db2.gz FILHKVGYJLOVAV-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000297861613 200294749 /nfs/dbraw/zinc/29/47/49/200294749.db2.gz UDOOEQJTIJGNCS-INIZCTEOSA-N 2 0 295.496 2.815 20 0 CFADRP CC(C)O[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000404677709 540682739 /nfs/dbraw/zinc/68/27/39/540682739.db2.gz YUBHAJDRPZTJFH-QGZVFWFLSA-N 2 0 288.435 2.722 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422741306 283517878 /nfs/dbraw/zinc/51/78/78/283517878.db2.gz PKQYWRDXFKCLGH-TZMCWYRMSA-N 2 0 286.341 2.965 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423088150 283517966 /nfs/dbraw/zinc/51/79/66/283517966.db2.gz RAYQHHPUQGNJNA-DAXOMENPSA-N 2 0 262.372 2.920 20 0 CFADRP COc1ccc(C(C)C)cc1CN(C)[C@@H](C)C[NH3+] ZINC000259973209 540690107 /nfs/dbraw/zinc/69/01/07/540690107.db2.gz IFCKQFJSJOBJJQ-LBPRGKRZSA-N 2 0 250.386 2.598 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000406055170 540693400 /nfs/dbraw/zinc/69/34/00/540693400.db2.gz JYNNBUJRMFLKSI-QEJZJMRPSA-N 2 0 250.430 2.872 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC000382139632 540701772 /nfs/dbraw/zinc/70/17/72/540701772.db2.gz PGJFTDHWKOPSFH-JKSUJKDBSA-N 2 0 270.461 2.636 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000162069864 540702313 /nfs/dbraw/zinc/70/23/13/540702313.db2.gz XRQCXFRWFLIVIO-INIZCTEOSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000177305832 189043272 /nfs/dbraw/zinc/04/32/72/189043272.db2.gz GTOQRLQUOMYZDH-CQSZACIVSA-N 2 0 288.435 2.531 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000403449605 540704829 /nfs/dbraw/zinc/70/48/29/540704829.db2.gz FQQKLDQFIXDVHD-MTSZKFMLSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000177291142 189042399 /nfs/dbraw/zinc/04/23/99/189042399.db2.gz OGXUZEYTRFIHLS-WBVHZDCISA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]([NH2+]CC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177834513 189073121 /nfs/dbraw/zinc/07/31/21/189073121.db2.gz GSRULTIGQKVART-CYBMUJFWSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000683345682 540752468 /nfs/dbraw/zinc/75/24/68/540752468.db2.gz IQGLKESLBQZSFN-HUUCEWRRSA-N 2 0 296.480 2.770 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000683345681 540752648 /nfs/dbraw/zinc/75/26/48/540752648.db2.gz IQGLKESLBQZSFN-GJZGRUSLSA-N 2 0 296.480 2.770 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000178115074 189091456 /nfs/dbraw/zinc/09/14/56/189091456.db2.gz PEKYWKZORFHKRZ-AWEZNQCLSA-N 2 0 286.423 2.783 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2C)[C@H](C)C1 ZINC000178260452 189101295 /nfs/dbraw/zinc/10/12/95/189101295.db2.gz KPRHIKHGDJAYBQ-WBVHZDCISA-N 2 0 260.425 2.857 20 0 CFADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCCOCC2)c1 ZINC000411217298 540779113 /nfs/dbraw/zinc/77/91/13/540779113.db2.gz YJSQLTKJYYYAFI-UHFFFAOYSA-N 2 0 288.435 2.895 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054241407 540781711 /nfs/dbraw/zinc/78/17/11/540781711.db2.gz NRRNYQAIVZLGQW-QWHCGFSZSA-N 2 0 252.427 2.611 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423054720 296020868 /nfs/dbraw/zinc/02/08/68/296020868.db2.gz UUNQFCDQUBVVEN-NEPJUHHUSA-N 2 0 277.387 2.575 20 0 CFADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000178742202 189142137 /nfs/dbraw/zinc/14/21/37/189142137.db2.gz STRJCKGACCZMOO-INIZCTEOSA-N 2 0 289.423 2.738 20 0 CFADRP C[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163899046 540811970 /nfs/dbraw/zinc/81/19/70/540811970.db2.gz GQUOAKWWBWJOJH-STQMWFEESA-N 2 0 282.428 2.835 20 0 CFADRP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178975574 189158781 /nfs/dbraw/zinc/15/87/81/189158781.db2.gz PGKVUFXLSXKPKA-YOEHRIQHSA-N 2 0 258.409 2.864 20 0 CFADRP Cc1cccc2nc(C3CC[NH+](CCC[NH3+])CC3)oc21 ZINC000414751161 540828694 /nfs/dbraw/zinc/82/86/94/540828694.db2.gz ZWPRGIOCVLNORW-UHFFFAOYSA-N 2 0 273.380 2.664 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423104971 238201798 /nfs/dbraw/zinc/20/17/98/238201798.db2.gz HVCWTXZMWXSXCB-RYUDHWBXSA-N 2 0 252.427 2.765 20 0 CFADRP C([C@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1)[NH+]1CCCCCC1 ZINC000674303408 540820982 /nfs/dbraw/zinc/82/09/82/540820982.db2.gz WNMUUCRTCUVUOP-IAGOWNOFSA-N 2 0 280.456 2.753 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423095266 238198785 /nfs/dbraw/zinc/19/87/85/238198785.db2.gz LVJMZUGCSIFZRY-DARAHFNDSA-N 2 0 262.372 2.789 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1F ZINC000423098217 238200900 /nfs/dbraw/zinc/20/09/00/238200900.db2.gz RSMFJBLRJUHICF-GDBMZVCRSA-N 2 0 264.388 2.865 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414908925 540830213 /nfs/dbraw/zinc/83/02/13/540830213.db2.gz BOWUJNQAEKIJGG-KBPBESRZSA-N 2 0 278.444 2.614 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C)cc1C ZINC000423122801 238213291 /nfs/dbraw/zinc/21/32/91/238213291.db2.gz DCTZYWSRTWLEJF-MRXNPFEDSA-N 2 0 292.467 2.925 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000414925775 540831135 /nfs/dbraw/zinc/83/11/35/540831135.db2.gz MCLBOAIIKUVFKS-RYUDHWBXSA-N 2 0 256.752 2.839 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000414930541 540831173 /nfs/dbraw/zinc/83/11/73/540831173.db2.gz SUMQMXQNWIYKJR-STQMWFEESA-N 2 0 288.420 2.565 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414933685 540831725 /nfs/dbraw/zinc/83/17/25/540831725.db2.gz XEVCTXSOGOEAAF-BNOWGMLFSA-N 2 0 252.427 2.929 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423109257 238203894 /nfs/dbraw/zinc/20/38/94/238203894.db2.gz URLOMIQGOOWLJG-JKQORVJESA-N 2 0 258.409 2.958 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415073386 540833840 /nfs/dbraw/zinc/83/38/40/540833840.db2.gz BBZSTBKCKZMSHL-HNNXBMFYSA-N 2 0 264.413 2.591 20 0 CFADRP [NH3+]CCC[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000415107353 540834507 /nfs/dbraw/zinc/83/45/07/540834507.db2.gz NSJWSQRLTJVCII-UHFFFAOYSA-N 2 0 272.314 2.675 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000423129641 238220882 /nfs/dbraw/zinc/22/08/82/238220882.db2.gz XKBUJCUGKZTEOH-BXUZGUMPSA-N 2 0 270.804 2.745 20 0 CFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423113879 238207702 /nfs/dbraw/zinc/20/77/02/238207702.db2.gz UVMQZYNIUDHHRR-LFVTVUPYSA-N 2 0 288.435 2.535 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000423118279 238210124 /nfs/dbraw/zinc/21/01/24/238210124.db2.gz ZUFYEMNYQRNNFT-QMTHXVAHSA-N 2 0 266.360 2.539 20 0 CFADRP Cc1cc(CC[NH2+][C@H](C)CCC[NH3+])ccc1Cl ZINC000423138000 238226785 /nfs/dbraw/zinc/22/67/85/238226785.db2.gz IQTUYWOWUURDCJ-GFCCVEGCSA-N 2 0 254.805 2.908 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)c2ccccc21 ZINC000423143703 238228058 /nfs/dbraw/zinc/22/80/58/238228058.db2.gz DUYPAJXGTNDCCT-IAGOWNOFSA-N 2 0 274.408 2.928 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423142775 238228102 /nfs/dbraw/zinc/22/81/02/238228102.db2.gz VWKXGBOUQXGXAG-YIONKMFJSA-N 2 0 273.424 2.540 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423147254 238232520 /nfs/dbraw/zinc/23/25/20/238232520.db2.gz RMRQYTFMDIMWEO-GUYCJALGSA-N 2 0 276.424 2.969 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423152403 238236809 /nfs/dbraw/zinc/23/68/09/238236809.db2.gz DYSQCZZMGVSBOT-JQWIXIFHSA-N 2 0 287.329 2.708 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000580551023 540848045 /nfs/dbraw/zinc/84/80/45/540848045.db2.gz RRQKTFPOPCCZDQ-BBRMVZONSA-N 2 0 262.397 2.611 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670266848 540848168 /nfs/dbraw/zinc/84/81/68/540848168.db2.gz CTPAVLDRTXLOBY-CQSZACIVSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+]C1CCC([NH3+])CC1 ZINC000423137551 238224677 /nfs/dbraw/zinc/22/46/77/238224677.db2.gz IAGQDKCGUVVRHQ-UHFFFAOYSA-N 2 0 261.413 2.527 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc12 ZINC000423170486 238251779 /nfs/dbraw/zinc/25/17/79/238251779.db2.gz MEWKFDOXSBAMCO-FGTMMUONSA-N 3 0 298.434 2.735 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000386664799 540850674 /nfs/dbraw/zinc/85/06/74/540850674.db2.gz GMBPZFZBNBQQHZ-WMZOPIPTSA-N 2 0 288.435 2.743 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423195933 238269776 /nfs/dbraw/zinc/26/97/76/238269776.db2.gz YNSCDUPKZMQNGS-NILFDRSVSA-N 2 0 271.364 2.648 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423210849 238280324 /nfs/dbraw/zinc/28/03/24/238280324.db2.gz GJEFMAQTXTUOSC-SDDRHHMPSA-N 2 0 268.426 2.795 20 0 CFADRP Cc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423196351 238271456 /nfs/dbraw/zinc/27/14/56/238271456.db2.gz ZQWBYMAKDXBJNT-RISCZKNCSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCCCCC1 ZINC000423200025 238273474 /nfs/dbraw/zinc/27/34/74/238273474.db2.gz LLENPMAUTJHUFD-OAGGEKHMSA-N 2 0 292.467 2.975 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423211324 238280471 /nfs/dbraw/zinc/28/04/71/238280471.db2.gz KXNGJDRHXUNXNJ-WBMJQRKESA-N 2 0 262.372 2.792 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Br)cs1 ZINC000423223605 238289115 /nfs/dbraw/zinc/28/91/15/238289115.db2.gz GVQLXOZLHMHKFY-JGVFFNPUSA-N 2 0 277.231 2.899 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423223647 238289254 /nfs/dbraw/zinc/28/92/54/238289254.db2.gz HAQHYDOQUNFBNF-UWVGGRQHSA-N 2 0 256.777 2.737 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1F ZINC000423227082 238291124 /nfs/dbraw/zinc/29/11/24/238291124.db2.gz UKUPZSYGQATCPY-UWVGGRQHSA-N 2 0 256.390 2.936 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423238677 238300234 /nfs/dbraw/zinc/30/02/34/238300234.db2.gz ANUVJRYTPPEYGE-KGLIPLIRSA-N 2 0 258.409 2.826 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@@H](OCC)C(C)C)CC1 ZINC000155685029 540892443 /nfs/dbraw/zinc/89/24/43/540892443.db2.gz VJJAXCTXJJYNFJ-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423218887 238285032 /nfs/dbraw/zinc/28/50/32/238285032.db2.gz SIOWPGPNZNZPAJ-IUDNXUCKSA-N 2 0 292.423 2.632 20 0 CFADRP C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179635141 189209293 /nfs/dbraw/zinc/20/92/93/189209293.db2.gz HPTYCYVBIGJZKY-GSPCDJLXSA-N 2 0 258.409 2.973 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000423221629 238286631 /nfs/dbraw/zinc/28/66/31/238286631.db2.gz XFLZYVNADWJBKE-PKSQDBQZSA-N 2 0 297.468 2.561 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423222941 238287339 /nfs/dbraw/zinc/28/73/39/238287339.db2.gz DHLIPNVTPWFEHS-IUCAKERBSA-N 2 0 289.192 2.976 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423240267 238300626 /nfs/dbraw/zinc/30/06/26/238300626.db2.gz BZQYBKJYWBEWLE-ZJUUUORDSA-N 2 0 272.314 2.754 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423243931 238304331 /nfs/dbraw/zinc/30/43/31/238304331.db2.gz GUZQBKLASFIAOR-GJZGRUSLSA-N 2 0 298.434 2.737 20 0 CFADRP COCCC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423243558 238304535 /nfs/dbraw/zinc/30/45/35/238304535.db2.gz GNTPMYXAAVXSQG-YOEHRIQHSA-N 2 0 294.414 2.883 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423245734 238304815 /nfs/dbraw/zinc/30/48/15/238304815.db2.gz JHVRWJOTBPOWQS-MNOVXSKESA-N 2 0 254.324 2.615 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423243369 238305068 /nfs/dbraw/zinc/30/50/68/238305068.db2.gz WFWMAZKHWBKSNM-IAGOWNOFSA-N 2 0 258.409 2.658 20 0 CFADRP c1ccc([C@@H]2CC[C@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000423246441 238305577 /nfs/dbraw/zinc/30/55/77/238305577.db2.gz KBGRHHYFWFUZDT-OIISXLGYSA-N 2 0 258.409 2.912 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423247825 238307221 /nfs/dbraw/zinc/30/72/21/238307221.db2.gz LRHCXNSIXJHRGX-WBVHZDCISA-N 2 0 258.409 2.597 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423251659 238310123 /nfs/dbraw/zinc/31/01/23/238310123.db2.gz SGQQQWWCRHVLJP-NHYWBVRUSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ncc[nH]1 ZINC000353436516 540910712 /nfs/dbraw/zinc/91/07/12/540910712.db2.gz CHEXZHAZVSADNG-KFWWJZLASA-N 2 0 278.444 2.818 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423257624 238314861 /nfs/dbraw/zinc/31/48/61/238314861.db2.gz KJJLSMSTNGDJSX-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000353495555 540912764 /nfs/dbraw/zinc/91/27/64/540912764.db2.gz IOJNDXBYAQEIOC-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP COCCc1nc(C)c([C@@H](C)N[C@H](C[NH3+])CC(C)C)s1 ZINC000423259487 238315810 /nfs/dbraw/zinc/31/58/10/238315810.db2.gz DWQQGHHQZKMNIU-YPMHNXCESA-N 2 0 299.484 2.664 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423261186 238316870 /nfs/dbraw/zinc/31/68/70/238316870.db2.gz RPRLAXAWRQEIIH-KGLIPLIRSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423268876 238325455 /nfs/dbraw/zinc/32/54/55/238325455.db2.gz FEQSEACAAMZBOJ-SDDRHHMPSA-N 2 0 268.426 2.925 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[NH+](C)C)CC3 ZINC000179969592 189230139 /nfs/dbraw/zinc/23/01/39/189230139.db2.gz XWEICTTYUWKVAJ-CQSZACIVSA-N 2 0 285.435 2.875 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC000166044752 540925228 /nfs/dbraw/zinc/92/52/28/540925228.db2.gz VFDSJSLGZAGYDT-OAHLLOKOSA-N 2 0 292.398 2.798 20 0 CFADRP c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CCO2 ZINC000388745735 540925537 /nfs/dbraw/zinc/92/55/37/540925537.db2.gz JCJKUIPEPIGCQT-UHFFFAOYSA-N 2 0 294.398 2.727 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423308526 238364597 /nfs/dbraw/zinc/36/45/97/238364597.db2.gz OQSRXHZHPBTWPX-IAQYHMDHSA-N 2 0 266.816 2.846 20 0 CFADRP CCCN1Cc2cccc(NC(=O)CC3([NH3+])CCC3)c2C1 ZINC000166721147 540950656 /nfs/dbraw/zinc/95/06/56/540950656.db2.gz YSJMEDBAEXIFCI-UHFFFAOYSA-N 2 0 287.407 2.622 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314409 238367926 /nfs/dbraw/zinc/36/79/26/238367926.db2.gz HBLZLPNGCVPOPO-KSHAWTQOSA-N 2 0 274.408 2.514 20 0 CFADRP [NH3+]CCC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000057539245 540952641 /nfs/dbraw/zinc/95/26/41/540952641.db2.gz MBTPXENKEAZOST-UHFFFAOYSA-N 2 0 252.789 2.868 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423298179 238355806 /nfs/dbraw/zinc/35/58/06/238355806.db2.gz NLJJFVWSRXIOKC-ZWNOBZJWSA-N 2 0 268.788 2.738 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)c2ccccc12 ZINC000423302437 238359331 /nfs/dbraw/zinc/35/93/31/238359331.db2.gz JLDZJYYWZOMTBQ-GFCCVEGCSA-N 2 0 270.376 2.718 20 0 CFADRP Cc1cc([C@@H]([NH2+]C[C@H](C)C[NH3+])C2CC2)ccc1F ZINC000423302033 238359431 /nfs/dbraw/zinc/35/94/31/238359431.db2.gz GQPZYBZHLQWRLV-BMIGLBTASA-N 2 0 250.361 2.770 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423305208 238360665 /nfs/dbraw/zinc/36/06/65/238360665.db2.gz KLIVRYLQXFSEOA-KBMXLJTQSA-N 2 0 276.424 2.555 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423329218 238381722 /nfs/dbraw/zinc/38/17/22/238381722.db2.gz OGOHQCOQSPBUIC-OLZOCXBDSA-N 2 0 292.423 2.667 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331808 238383824 /nfs/dbraw/zinc/38/38/24/238383824.db2.gz CYYUCACOVICANJ-KBPBESRZSA-N 2 0 274.408 2.697 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)[C@H]1CC1(C)C ZINC000666088946 540975460 /nfs/dbraw/zinc/97/54/60/540975460.db2.gz UWKJPADETSDIGJ-KFWWJZLASA-N 2 0 250.430 2.885 20 0 CFADRP CCC[NH+]1CCC(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000158641352 540975574 /nfs/dbraw/zinc/97/55/74/540975574.db2.gz QYXJHOJBPFBQCE-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423334127 238385810 /nfs/dbraw/zinc/38/58/10/238385810.db2.gz QNKMBQNPTLQDNP-GUYCJALGSA-N 2 0 292.423 2.744 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423336312 238388185 /nfs/dbraw/zinc/38/81/85/238388185.db2.gz GQXCAOGKEILPLW-ZWKOTPCHSA-N 2 0 270.420 2.907 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(F)c1 ZINC000423317453 238369232 /nfs/dbraw/zinc/36/92/32/238369232.db2.gz BLKFSSGXPKTUQF-GFCCVEGCSA-N 2 0 280.387 2.875 20 0 CFADRP [NH3+]C1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000423315411 238370286 /nfs/dbraw/zinc/37/02/86/238370286.db2.gz ARGPWZXQPWUBMQ-GOEBONIOSA-N 2 0 274.408 2.625 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]CC1([NH3+])CCC1)C1CC1 ZINC000423318872 238371903 /nfs/dbraw/zinc/37/19/03/238371903.db2.gz DXOZZJLFAVMBHE-INIZCTEOSA-N 2 0 258.409 2.787 20 0 CFADRP C[C@H](C[NH3+])N[C@@H](c1ccc(Br)s1)C1CC1 ZINC000423320878 238372012 /nfs/dbraw/zinc/37/20/12/238372012.db2.gz GXLLTALQYOPIEK-RDDDGLTNSA-N 2 0 289.242 2.899 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCC[NH2+]C1 ZINC000423350348 238397915 /nfs/dbraw/zinc/39/79/15/238397915.db2.gz XLCCFJVZAURLCH-SJORKVTESA-N 2 0 274.408 2.749 20 0 CFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)[C@@H]1CC1(C)C ZINC000666096144 540984531 /nfs/dbraw/zinc/98/45/31/540984531.db2.gz LZOIWYZSQLPSHK-LSDHHAIUSA-N 2 0 282.472 2.636 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423346619 238395949 /nfs/dbraw/zinc/39/59/49/238395949.db2.gz YXFJKXVRPDXLND-ZDUSSCGKSA-N 2 0 290.329 2.721 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423447684 238461525 /nfs/dbraw/zinc/46/15/25/238461525.db2.gz ZXLJJRWMSGBJOF-QWRGUYRKSA-N 2 0 256.415 2.925 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313004554 541037624 /nfs/dbraw/zinc/03/76/24/541037624.db2.gz BMWYECKHLMLRCC-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313042684 541038036 /nfs/dbraw/zinc/03/80/36/541038036.db2.gz YJEWRGPKGVAROW-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182235566 189318082 /nfs/dbraw/zinc/31/80/82/189318082.db2.gz FFKRNJPPDPMYRK-RHSMWYFYSA-N 2 0 276.424 2.531 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000666152653 541065820 /nfs/dbraw/zinc/06/58/20/541065820.db2.gz HXNYRFAQOVXYLL-JTQLQIEISA-N 2 0 272.377 2.950 20 0 CFADRP Cc1cc(F)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001143619037 781942244 /nfs/dbraw/zinc/94/22/44/781942244.db2.gz JINBHWQPFXFWCW-UHFFFAOYSA-N 2 0 262.372 2.662 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccncc1 ZINC000671750112 541074949 /nfs/dbraw/zinc/07/49/49/541074949.db2.gz VOMXDTNCYRUSSV-DZUCGIPZSA-N 2 0 273.424 2.648 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000666417734 541092134 /nfs/dbraw/zinc/09/21/34/541092134.db2.gz KVUZLYSBNODXFE-UKRRQHHQSA-N 2 0 294.464 2.611 20 0 CFADRP CCOCC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184755484 189394625 /nfs/dbraw/zinc/39/46/25/189394625.db2.gz XXYVROBOCGUILK-BYICEURKSA-N 2 0 290.451 2.769 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000425432782 239059424 /nfs/dbraw/zinc/05/94/24/239059424.db2.gz LQZZDDYWAJTIDQ-FRFSOERESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000666770420 541142340 /nfs/dbraw/zinc/14/23/40/541142340.db2.gz ZLDWMGOLBPPICR-NXHRZFHOSA-N 2 0 287.451 2.554 20 0 CFADRP c1ccc2c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)ccnc2c1 ZINC000666792113 541144239 /nfs/dbraw/zinc/14/42/39/541144239.db2.gz KXEQUHPOBQHZFQ-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000666857878 541152537 /nfs/dbraw/zinc/15/25/37/541152537.db2.gz OAUNFPJDKVBOHV-JFIYKMOQSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2cnccc2c1 ZINC000666935505 541163253 /nfs/dbraw/zinc/16/32/53/541163253.db2.gz KAUXCFPSNOFFFC-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncccc1C(F)(F)F ZINC000666937607 541164045 /nfs/dbraw/zinc/16/40/45/541164045.db2.gz BNVPKDLPKGQTHV-SNVBAGLBSA-N 2 0 275.318 2.708 20 0 CFADRP c1c2ccccc2oc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950823 541165222 /nfs/dbraw/zinc/16/52/22/541165222.db2.gz KTLCJVUEWTUBJC-HNNXBMFYSA-N 2 0 256.349 2.665 20 0 CFADRP c1nc(C2CCC2)sc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952472 541165994 /nfs/dbraw/zinc/16/59/94/541165994.db2.gz YAHONYFOXUROCS-CYBMUJFWSA-N 2 0 277.437 2.642 20 0 CFADRP c1ccc(OCC2CC2)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952020 541166022 /nfs/dbraw/zinc/16/60/22/541166022.db2.gz CCXYGNUAMZBASZ-KRWDZBQOSA-N 2 0 286.419 2.707 20 0 CFADRP Fc1c(Cl)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952066 541166057 /nfs/dbraw/zinc/16/60/57/541166057.db2.gz DXSINQDDFNXJCD-GFCCVEGCSA-N 2 0 268.763 2.711 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666953870 541166514 /nfs/dbraw/zinc/16/65/14/541166514.db2.gz JUXRYBACGHBMLE-JTQLQIEISA-N 2 0 290.354 2.999 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000666953666 541166587 /nfs/dbraw/zinc/16/65/87/541166587.db2.gz DLKBKTIFCAMVOJ-MRXNPFEDSA-N 2 0 286.375 2.673 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954158 541166708 /nfs/dbraw/zinc/16/67/08/541166708.db2.gz RAUWZZOKNDUNRM-PBHICJAKSA-N 2 0 288.435 2.748 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000666956298 541167051 /nfs/dbraw/zinc/16/70/51/541167051.db2.gz JOBCRIGJCRWDCX-BZUAXINKSA-N 2 0 288.435 2.907 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955522 541167157 /nfs/dbraw/zinc/16/71/57/541167157.db2.gz VJHNGDHNCHBFDU-OAHLLOKOSA-N 2 0 262.372 2.620 20 0 CFADRP c1cc(CN[C@H]2CC[NH2+]C3(CCC3)C2)n(-c2ccccc2)n1 ZINC000666993976 541170576 /nfs/dbraw/zinc/17/05/76/541170576.db2.gz YPLLEJPMAAMREF-HNNXBMFYSA-N 2 0 296.418 2.637 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666995496 541171100 /nfs/dbraw/zinc/17/11/00/541171100.db2.gz PFZIUJDEHQKHBK-DLBZAZTESA-N 2 0 270.420 2.808 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995407 541171606 /nfs/dbraw/zinc/17/16/06/541171606.db2.gz NATGVGNWTFYGLP-WDEREUQCSA-N 2 0 264.335 2.982 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995713 541171656 /nfs/dbraw/zinc/17/16/56/541171656.db2.gz XOPAECKHOYFCOY-QGZVFWFLSA-N 2 0 299.462 2.920 20 0 CFADRP Fc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000666998291 541172302 /nfs/dbraw/zinc/17/23/02/541172302.db2.gz MEARWKDGVMUWPM-CYBMUJFWSA-N 2 0 266.335 2.729 20 0 CFADRP C[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C[NH+](C)C ZINC000425941380 239140692 /nfs/dbraw/zinc/14/06/92/239140692.db2.gz ZELZBJJYFMUADK-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3cnccc32)C[C@H]1C[NH3+] ZINC000667039975 541178690 /nfs/dbraw/zinc/17/86/90/541178690.db2.gz CELYKVFWKXAZGA-XJKSGUPXSA-N 2 0 269.392 2.652 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427123725 239284999 /nfs/dbraw/zinc/28/49/99/239284999.db2.gz ZBWCOALOPPVUFO-NVXWUHKLSA-N 2 0 274.408 2.529 20 0 CFADRP CC(C)OCCC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667655787 541280270 /nfs/dbraw/zinc/28/02/70/541280270.db2.gz PTERXKGQLQDNGC-UHFFFAOYSA-N 2 0 288.395 2.514 20 0 CFADRP COCc1csc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000667706192 541294828 /nfs/dbraw/zinc/29/48/28/541294828.db2.gz TYAJTSNNMMGQCK-HOCLYGCPSA-N 2 0 294.464 2.811 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428041926 239361562 /nfs/dbraw/zinc/36/15/62/239361562.db2.gz AILMYFDGBKTQHH-IAGOWNOFSA-N 2 0 288.435 2.756 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667853610 541328133 /nfs/dbraw/zinc/32/81/33/541328133.db2.gz IJVOYMSIUIUQSV-XUWVNRHRSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000223007746 541328175 /nfs/dbraw/zinc/32/81/75/541328175.db2.gz NCBDDDQWEPQLPF-DFBGVHRSSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223007624 541328614 /nfs/dbraw/zinc/32/86/14/541328614.db2.gz NCBDDDQWEPQLPF-KCPJHIHWSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667961854 541353976 /nfs/dbraw/zinc/35/39/76/541353976.db2.gz ZJVINFPUXABBAC-MBGYTDRXSA-N 2 0 292.467 2.797 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1Cc1cnc(C)n1C ZINC000668075202 541378988 /nfs/dbraw/zinc/37/89/88/541378988.db2.gz MAQSDIJOQNNIPO-OAHLLOKOSA-N 2 0 265.401 2.510 20 0 CFADRP CCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000668159471 541389726 /nfs/dbraw/zinc/38/97/26/541389726.db2.gz XKZPVCIDFABGAR-FHERZECASA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[C@@H](CC)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134598 240107458 /nfs/dbraw/zinc/10/74/58/240107458.db2.gz RLTAWQYKSNEOAJ-OAHLLOKOSA-N 2 0 297.487 2.522 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000433171516 240114719 /nfs/dbraw/zinc/11/47/19/240114719.db2.gz ANQMOKGKISCBOA-BRWVUGGUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435369929 240307459 /nfs/dbraw/zinc/30/74/59/240307459.db2.gz GSVOFJSEXAFDPY-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435378445 240307713 /nfs/dbraw/zinc/30/77/13/240307713.db2.gz ILNQQDCIXJYSEO-IWCQGFGOSA-N 2 0 258.409 2.534 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc2c1 ZINC000435383388 240309324 /nfs/dbraw/zinc/30/93/24/240309324.db2.gz IBMWTLNWPOKBPQ-LBPRGKRZSA-N 2 0 274.364 2.612 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435391299 240309466 /nfs/dbraw/zinc/30/94/66/240309466.db2.gz RYNQHIOUQGHJKL-NVXWUHKLSA-N 2 0 260.425 2.797 20 0 CFADRP CC[N@H+](Cc1cccc(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435388490 240310707 /nfs/dbraw/zinc/31/07/07/240310707.db2.gz FZAKXJYZCDMVEI-HNNXBMFYSA-N 2 0 262.397 2.659 20 0 CFADRP c1ccc(C[N@@H+](CC2CCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435617109 240332749 /nfs/dbraw/zinc/33/27/49/240332749.db2.gz MKWHGMQGWVPZBW-QGZVFWFLSA-N 2 0 273.424 2.826 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423398617 283836117 /nfs/dbraw/zinc/83/61/17/283836117.db2.gz DEBUBTPWCGLOLO-LSDHHAIUSA-N 2 0 270.461 2.807 20 0 CFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435434661 240315543 /nfs/dbraw/zinc/31/55/43/240315543.db2.gz ZGXGYQRHELHSQO-ZDUSSCGKSA-N 2 0 290.436 2.508 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000442930572 241021019 /nfs/dbraw/zinc/02/10/19/241021019.db2.gz UOEQULBSFACGPJ-CQSZACIVSA-N 2 0 284.407 2.638 20 0 CFADRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(-c2ccccc2)n1 ZINC000442932984 241021925 /nfs/dbraw/zinc/02/19/25/241021925.db2.gz ZESOAIRHXVFSIF-OAHLLOKOSA-N 2 0 298.434 2.648 20 0 CFADRP CCO[C@@H](C)c1nc(CN2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443056947 241034162 /nfs/dbraw/zinc/03/41/62/241034162.db2.gz DULWCDRPKYBVIF-STQMWFEESA-N 2 0 297.468 2.801 20 0 CFADRP C[C@H](CF)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000673619161 541497263 /nfs/dbraw/zinc/49/72/63/541497263.db2.gz KUWUMTIHWHJUJH-CQSZACIVSA-N 2 0 280.387 2.609 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446817529 241327172 /nfs/dbraw/zinc/32/71/72/241327172.db2.gz LNBMYSAMWXIAJZ-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000446887941 241335695 /nfs/dbraw/zinc/33/56/95/241335695.db2.gz ANUPZQVDGKECQP-HOCLYGCPSA-N 2 0 282.497 2.981 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447601233 241391663 /nfs/dbraw/zinc/39/16/63/241391663.db2.gz PFUQQEOWTYFXEA-AWEZNQCLSA-N 2 0 296.480 2.507 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000449619088 242069318 /nfs/dbraw/zinc/06/93/18/242069318.db2.gz NFXCRBXSQPAKGX-CVEARBPZSA-N 2 0 289.423 2.642 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000449551624 242022244 /nfs/dbraw/zinc/02/22/44/242022244.db2.gz GNZJNLQGVGLCPK-JKSUJKDBSA-N 2 0 276.399 2.893 20 0 CFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000674303016 541557265 /nfs/dbraw/zinc/55/72/65/541557265.db2.gz SPAOGTHQNJXTOB-MSOLQXFVSA-N 2 0 288.435 2.619 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCCOC3)C2)CC1 ZINC000674303832 541557513 /nfs/dbraw/zinc/55/75/13/541557513.db2.gz YPBOCURGOOYWEG-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000449680438 242104118 /nfs/dbraw/zinc/10/41/18/242104118.db2.gz GUPSSZWQYHHCJX-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CN1C1CC1 ZINC000449735006 242124907 /nfs/dbraw/zinc/12/49/07/242124907.db2.gz FOCQDQMVFWCAQL-KBPBESRZSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[NH2+]C1 ZINC000415090949 291388958 /nfs/dbraw/zinc/38/89/58/291388958.db2.gz ZXNSONOBWPGABJ-MCIGGMRASA-N 2 0 264.335 2.697 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000361386988 294317258 /nfs/dbraw/zinc/31/72/58/294317258.db2.gz RQGZGFFQOKVZQY-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP Cc1nccn1CC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000452050389 243023338 /nfs/dbraw/zinc/02/33/38/243023338.db2.gz WKCJQPOMYRPYPS-UHFFFAOYSA-N 2 0 257.381 2.940 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000675735568 541686355 /nfs/dbraw/zinc/68/63/55/541686355.db2.gz QRTVXFYSSLICLW-IUODEOHRSA-N 2 0 292.398 2.753 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742815 541687603 /nfs/dbraw/zinc/68/76/03/541687603.db2.gz WQBGLKIFYKIEPH-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000675750122 541688460 /nfs/dbraw/zinc/68/84/60/541688460.db2.gz PNQZTSRJFGZEIF-IAGOWNOFSA-N 3 0 295.515 2.961 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675778914 541692880 /nfs/dbraw/zinc/69/28/80/541692880.db2.gz BDKMGVPOKVSYPL-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000675783539 541693487 /nfs/dbraw/zinc/69/34/87/541693487.db2.gz JWVMSJMKFWSFLH-RDJZCZTQSA-N 2 0 287.451 2.512 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000453055074 243378530 /nfs/dbraw/zinc/37/85/30/243378530.db2.gz DBRSNWABIQHTFQ-BZUAXINKSA-N 2 0 290.455 2.676 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccncc1 ZINC000453058442 243380687 /nfs/dbraw/zinc/38/06/87/243380687.db2.gz JKFIPHOQITVJFH-GOEBONIOSA-N 2 0 261.413 2.854 20 0 CFADRP Cc1c(C)c(C)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1C ZINC000675885589 541701730 /nfs/dbraw/zinc/70/17/30/541701730.db2.gz ZLLWYKSECPRDCR-IAGOWNOFSA-N 2 0 272.436 2.880 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000453069201 243387296 /nfs/dbraw/zinc/38/72/96/243387296.db2.gz YVLJNJFJTPOVQE-CVEARBPZSA-N 2 0 290.455 2.652 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453094565 243397907 /nfs/dbraw/zinc/39/79/07/243397907.db2.gz QEOMFAYHXALGGU-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423497798 299395195 /nfs/dbraw/zinc/39/51/95/299395195.db2.gz ZOZKOUYREUEYLQ-SGMGOOAPSA-N 2 0 279.403 2.670 20 0 CFADRP Cc1ccc(CC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000676222561 541735083 /nfs/dbraw/zinc/73/50/83/541735083.db2.gz PYFKAGAKLJRWQQ-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP C[C@H](CCSc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676250700 541737040 /nfs/dbraw/zinc/73/70/40/541737040.db2.gz VBAPSBIWDHPEFV-KFWWJZLASA-N 2 0 276.449 2.709 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000227328623 189783499 /nfs/dbraw/zinc/78/34/99/189783499.db2.gz FKRLTWDFBJJMCV-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000228287982 189792283 /nfs/dbraw/zinc/79/22/83/189792283.db2.gz DVLGEMAYFQQRAA-NHYWBVRUSA-N 2 0 258.365 2.910 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@@H]1CCC[NH2+]C1 ZINC000423204425 296150816 /nfs/dbraw/zinc/15/08/16/296150816.db2.gz AQOKVDMSKGCJCR-GZBFAFLISA-N 2 0 274.408 2.756 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000276809308 193466268 /nfs/dbraw/zinc/46/62/68/193466268.db2.gz NRUQEBKGBFDPMG-DOMZBBRYSA-N 2 0 262.397 2.699 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccsc1 ZINC000231980746 189815820 /nfs/dbraw/zinc/81/58/20/189815820.db2.gz OQUKINDPMJDGNT-BPLDGKMQSA-N 2 0 282.453 2.682 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000676841187 541799670 /nfs/dbraw/zinc/79/96/70/541799670.db2.gz FBILHUBIYDILHN-FZMZJTMJSA-N 2 0 299.484 2.767 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000677129376 541824395 /nfs/dbraw/zinc/82/43/95/541824395.db2.gz RGLWAWMHXCOAJO-NVXWUHKLSA-N 2 0 298.434 2.800 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)C[C@@H]2C1 ZINC000459511762 245205107 /nfs/dbraw/zinc/20/51/07/245205107.db2.gz JJRLWPONVZUYJQ-CALCHBBNSA-N 2 0 256.393 2.557 20 0 CFADRP c1nc2c(cc1NC1CC[NH+](C3CC3)CC1)CCCC2 ZINC000459466927 245188738 /nfs/dbraw/zinc/18/87/38/245188738.db2.gz PLCMPBXQRWJMSQ-UHFFFAOYSA-N 2 0 271.408 2.999 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657397 245259978 /nfs/dbraw/zinc/25/99/78/245259978.db2.gz IFUNDSDTVCHNLO-ZBFHGGJFSA-N 2 0 273.380 2.629 20 0 CFADRP Cc1ccc(CCC[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000459660496 245262488 /nfs/dbraw/zinc/26/24/88/245262488.db2.gz OOFAQOSABSOXTQ-UHFFFAOYSA-N 2 0 280.375 2.760 20 0 CFADRP COc1ccsc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459730050 245288414 /nfs/dbraw/zinc/28/84/14/245288414.db2.gz JSRNTLLHASOVFB-LBPRGKRZSA-N 2 0 268.426 2.578 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459736609 245295064 /nfs/dbraw/zinc/29/50/64/245295064.db2.gz PZZUXYQOONPWLJ-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459741954 245299569 /nfs/dbraw/zinc/29/95/69/245299569.db2.gz VOFIBGQQQRPCJW-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1nc(C)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459742392 245299999 /nfs/dbraw/zinc/29/99/99/245299999.db2.gz WCUBLPZLWGJABP-CYBMUJFWSA-N 2 0 267.442 2.581 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000459783463 245324252 /nfs/dbraw/zinc/32/42/52/245324252.db2.gz NGSCEAWQDXDBGW-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP CCC1CCC([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000020200277 372235178 /nfs/dbraw/zinc/23/51/78/372235178.db2.gz KNLLGRRLRSXZKW-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994986 372423689 /nfs/dbraw/zinc/42/36/89/372423689.db2.gz MUMXHAHSILORML-MRXNPFEDSA-N 2 0 278.827 2.958 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C(C)C)CC1 ZINC000034824200 372515074 /nfs/dbraw/zinc/51/50/74/372515074.db2.gz YNZBSHHYJMRHRE-UHFFFAOYSA-N 2 0 275.440 2.717 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCSCC1)Cc1ccccc1 ZINC000035120930 372542404 /nfs/dbraw/zinc/54/24/04/372542404.db2.gz QSJPBGOAEHWRQC-UHFFFAOYSA-N 2 0 278.465 2.994 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000035018719 372529591 /nfs/dbraw/zinc/52/95/91/372529591.db2.gz UWFRYZQCNNQBNP-UHFFFAOYSA-N 2 0 286.423 2.550 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000035648064 372550739 /nfs/dbraw/zinc/55/07/39/372550739.db2.gz LJDWFMHHAFRJIO-OAHLLOKOSA-N 2 0 276.424 2.702 20 0 CFADRP CCCOc1ccc(OCC[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036301059 372570244 /nfs/dbraw/zinc/57/02/44/372570244.db2.gz UPMATLWDXDLDHP-UHFFFAOYSA-N 2 0 292.423 2.538 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000036907575 372609802 /nfs/dbraw/zinc/60/98/02/372609802.db2.gz SZRHRTPCNJLWLV-IOASZLSFSA-N 2 0 264.388 2.687 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000036907877 372609879 /nfs/dbraw/zinc/60/98/79/372609879.db2.gz NEGBLIYDNFDWBI-BZPMIXESSA-N 2 0 252.427 2.609 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000036907878 372610313 /nfs/dbraw/zinc/61/03/13/372610313.db2.gz NEGBLIYDNFDWBI-DYEKYZERSA-N 2 0 252.427 2.609 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000036907662 372610502 /nfs/dbraw/zinc/61/05/02/372610502.db2.gz XTZAVAASVPORRW-JKIFEVAISA-N 2 0 276.424 2.556 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000037644266 372680406 /nfs/dbraw/zinc/68/04/06/372680406.db2.gz DICSPVJYRSLJNX-ZFWWWQNUSA-N 2 0 289.423 2.637 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649337 372683390 /nfs/dbraw/zinc/68/33/90/372683390.db2.gz LESGKKXNZNIRBN-QWHCGFSZSA-N 2 0 262.372 2.961 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649109 372685201 /nfs/dbraw/zinc/68/52/01/372685201.db2.gz ZFBSOTBKFYXJCR-GUYCJALGSA-N 2 0 256.393 2.748 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663952 373027831 /nfs/dbraw/zinc/02/78/31/373027831.db2.gz FTUAXTTVSLVDOT-OAHLLOKOSA-N 2 0 278.440 2.948 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccccc1Br ZINC000045598304 373023623 /nfs/dbraw/zinc/02/36/23/373023623.db2.gz XLGVILDNBTXQRF-UHFFFAOYSA-N 2 0 285.229 2.881 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000049687873 373313082 /nfs/dbraw/zinc/31/30/82/373313082.db2.gz NQFRGJSDVDEJTM-ZDUSSCGKSA-N 2 0 252.427 2.796 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000051693143 373406042 /nfs/dbraw/zinc/40/60/42/373406042.db2.gz GZCZILOAOYLYME-UHFFFAOYSA-N 2 0 255.365 2.594 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000052092062 373434100 /nfs/dbraw/zinc/43/41/00/373434100.db2.gz WYMGIMKZXGOOTR-INMHGKMJSA-N 2 0 276.424 2.774 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000053659009 373483608 /nfs/dbraw/zinc/48/36/08/373483608.db2.gz WYXVUNCLARXXHK-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000571414611 383692990 /nfs/dbraw/zinc/69/29/90/383692990.db2.gz UWQWHFBWASTLKI-DGCLKSJQSA-N 2 0 294.370 2.535 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccco1)C[NH+]1CCCC1 ZINC000062078389 373746951 /nfs/dbraw/zinc/74/69/51/373746951.db2.gz LSEQNTWPBOSCHF-GJZGRUSLSA-N 2 0 264.413 2.922 20 0 CFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000066969929 373965260 /nfs/dbraw/zinc/96/52/60/373965260.db2.gz YIYFGRGWKBVOIK-UHFFFAOYSA-N 2 0 288.391 2.900 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000571451115 383696246 /nfs/dbraw/zinc/69/62/46/383696246.db2.gz YUASSVFEGZXXGG-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000289503898 197380826 /nfs/dbraw/zinc/38/08/26/197380826.db2.gz DTAIAONFIJXFDJ-KRWDZBQOSA-N 2 0 287.451 2.740 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000070149919 374129561 /nfs/dbraw/zinc/12/95/61/374129561.db2.gz RWYRDWZWUKXBKQ-CQSZACIVSA-N 2 0 282.815 2.922 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000070170575 374135613 /nfs/dbraw/zinc/13/56/13/374135613.db2.gz XQYFFMSUHNBZOI-CQSZACIVSA-N 2 0 285.391 2.902 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000070170985 374136257 /nfs/dbraw/zinc/13/62/57/374136257.db2.gz VBIIKBNBOPXING-AWEZNQCLSA-N 2 0 285.391 2.902 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070170642 374136278 /nfs/dbraw/zinc/13/62/78/374136278.db2.gz IJRMGABYQLTBCF-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000070171044 374138175 /nfs/dbraw/zinc/13/81/75/374138175.db2.gz LFFRIPQFUOEIGZ-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000070174197 374142395 /nfs/dbraw/zinc/14/23/95/374142395.db2.gz BAEURWVHXHALOB-QWHCGFSZSA-N 2 0 282.815 2.778 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000070188871 374143327 /nfs/dbraw/zinc/14/33/27/374143327.db2.gz KLLGRYFGRLMUAN-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000070344096 374168350 /nfs/dbraw/zinc/16/83/50/374168350.db2.gz VCARMYLATNPUPJ-WBVHZDCISA-N 2 0 276.424 2.666 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000677755762 541902358 /nfs/dbraw/zinc/90/23/58/541902358.db2.gz PSCFRRAFADTKOJ-LLVKDONJSA-N 2 0 267.442 2.834 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491590907 246084338 /nfs/dbraw/zinc/08/43/38/246084338.db2.gz FSUIJXMJFKLWIV-HNNXBMFYSA-N 2 0 265.445 2.822 20 0 CFADRP CC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678121112 541957124 /nfs/dbraw/zinc/95/71/24/541957124.db2.gz PSMLXYVKZTUEHU-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCOc2ccccc21 ZINC000678238879 541980509 /nfs/dbraw/zinc/98/05/09/541980509.db2.gz JPSZXFOCISWSGM-MRXNPFEDSA-N 2 0 288.435 2.826 20 0 CFADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000571519100 383701641 /nfs/dbraw/zinc/70/16/41/383701641.db2.gz BCWJQJZMFPXMDG-CQSZACIVSA-N 2 0 289.423 2.609 20 0 CFADRP CC[C@H](COC)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000079719235 374628708 /nfs/dbraw/zinc/62/87/08/374628708.db2.gz USVBOBWMMWCLCV-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000089140166 374872608 /nfs/dbraw/zinc/87/26/08/374872608.db2.gz BGZLBXNTCDMZBH-HUUCEWRRSA-N 2 0 286.423 2.534 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000089145781 374873265 /nfs/dbraw/zinc/87/32/65/374873265.db2.gz GZNORCOWLWSRRS-RISCZKNCSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089147858 374874859 /nfs/dbraw/zinc/87/48/59/374874859.db2.gz ZHYOVVOGTIFESD-WCQYABFASA-N 2 0 270.323 2.505 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000089549888 374922817 /nfs/dbraw/zinc/92/28/17/374922817.db2.gz XIHYFIHXNJGCME-IIDMSEBBSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000089607847 374928089 /nfs/dbraw/zinc/92/80/89/374928089.db2.gz JHOFHNRNWGDQFW-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000090177023 374996636 /nfs/dbraw/zinc/99/66/36/374996636.db2.gz MXJGQANHCWFMJH-KFZJALRRSA-N 2 0 294.414 2.832 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000091284908 375047259 /nfs/dbraw/zinc/04/72/59/375047259.db2.gz ZRRLUTDTRCUUOS-KRWDZBQOSA-N 2 0 278.440 2.942 20 0 CFADRP Cc1ccsc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093088901 375185102 /nfs/dbraw/zinc/18/51/02/375185102.db2.gz DEKURPKRYWVNBP-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000093066509 375181643 /nfs/dbraw/zinc/18/16/43/375181643.db2.gz AHDNYFYJLFJYDZ-CQSZACIVSA-N 2 0 264.413 2.763 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450973 375244254 /nfs/dbraw/zinc/24/42/54/375244254.db2.gz KQDJSIKTUYXBIV-ZACQAIPSSA-N 2 0 258.409 2.739 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093211791 375196018 /nfs/dbraw/zinc/19/60/18/375196018.db2.gz DNDYDXNAPFTLTO-IHRRRGAJSA-N 2 0 262.397 2.924 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCCc1cncn1C ZINC000571578842 383706407 /nfs/dbraw/zinc/70/64/07/383706407.db2.gz ZUXRDQHEDKWRGB-AWEZNQCLSA-N 2 0 287.407 2.621 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093495943 375254482 /nfs/dbraw/zinc/25/44/82/375254482.db2.gz UQLIWFHMFYUPCP-ZBFHGGJFSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccs1 ZINC000093402763 375228623 /nfs/dbraw/zinc/22/86/23/375228623.db2.gz ZHCAMBSOVYOJHV-MCIONIFRSA-N 2 0 297.468 2.683 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000093405266 375230040 /nfs/dbraw/zinc/23/00/40/375230040.db2.gz YSWYHCKVLMFGPV-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c[nH]nc32)[C@H](C)C1 ZINC000093638981 375276816 /nfs/dbraw/zinc/27/68/16/375276816.db2.gz VIVHJRVEGYNWEG-CJNGLKHVSA-N 2 0 286.423 2.725 20 0 CFADRP c1[nH]nc2c1cccc2C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683545 375293187 /nfs/dbraw/zinc/29/31/87/375293187.db2.gz QTHYRUALTFZUSH-OAHLLOKOSA-N 2 0 298.434 2.871 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000093734973 375305569 /nfs/dbraw/zinc/30/55/69/375305569.db2.gz VBCUJTSSIXARTB-UHFFFAOYSA-N 2 0 292.423 2.665 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2sccc2C)C1 ZINC000093770259 375311085 /nfs/dbraw/zinc/31/10/85/375311085.db2.gz QTRHCUHYTDTWPS-ZDUSSCGKSA-N 2 0 252.427 2.830 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010798 375335692 /nfs/dbraw/zinc/33/56/92/375335692.db2.gz FKERKCWFJQQZMV-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000094072256 375339990 /nfs/dbraw/zinc/33/99/90/375339990.db2.gz QHIOVGVPZQRUFL-UHFFFAOYSA-N 2 0 288.435 2.505 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCCCC2)C(C)(C)O1 ZINC000094422715 375361199 /nfs/dbraw/zinc/36/11/99/375361199.db2.gz PSUJFOSJCDQWQB-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678301924 542003251 /nfs/dbraw/zinc/00/32/51/542003251.db2.gz GDOYVPKUTQFFCQ-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229917 375722978 /nfs/dbraw/zinc/72/29/78/375722978.db2.gz QRBGMXDHZLNUGT-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC[N@H+](CCC1CC[NH+]([C@H]2CCCOC2)CC1)CC1CC1 ZINC000678469781 542031208 /nfs/dbraw/zinc/03/12/08/542031208.db2.gz HEURXGGKVYGULT-SFHVURJKSA-N 2 0 294.483 2.999 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507488868 247175622 /nfs/dbraw/zinc/17/56/22/247175622.db2.gz VRFDOZPRDNXIHY-LAVFITLUSA-N 2 0 288.435 2.522 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000513656217 247225117 /nfs/dbraw/zinc/22/51/17/247225117.db2.gz QTNMJGARNIGVAN-KURKYZTESA-N 2 0 272.436 3.000 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@H]2CCC[C@H]21 ZINC000513707354 247225189 /nfs/dbraw/zinc/22/51/89/247225189.db2.gz BQLRSTOOWZBIJF-VNQPRFMTSA-N 2 0 294.389 2.970 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513754177 247226362 /nfs/dbraw/zinc/22/63/62/247226362.db2.gz IQQHHQIWFBXSNR-RCCFBDPRSA-N 2 0 272.436 3.000 20 0 CFADRP Cc1ccsc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000104096201 375766746 /nfs/dbraw/zinc/76/67/46/375766746.db2.gz WVZYSMYCWSGILV-CYBMUJFWSA-N 2 0 252.427 2.830 20 0 CFADRP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000678604932 542052112 /nfs/dbraw/zinc/05/21/12/542052112.db2.gz APXVBVXZMZUZTO-MRXNPFEDSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]([NH2+]CC12CCC(CC1)C2)C1CC[NH+](C)CC1 ZINC000678606566 542052652 /nfs/dbraw/zinc/05/26/52/542052652.db2.gz PLCMIAWSALTTJM-VQCLRJIVSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)CC3CC3)CC2)C1 ZINC000678607705 542053542 /nfs/dbraw/zinc/05/35/42/542053542.db2.gz QLDHFPZFTSHGGT-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000111695930 375863267 /nfs/dbraw/zinc/86/32/67/375863267.db2.gz CLIXXDATDDVJSM-HIFRSBDPSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000571633511 383711438 /nfs/dbraw/zinc/71/14/38/383711438.db2.gz BKOXJSXLIUTGLW-DZGCQCFKSA-N 2 0 250.386 2.580 20 0 CFADRP C[NH2+]CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262323757 190052992 /nfs/dbraw/zinc/05/29/92/190052992.db2.gz FSDYFJMMWJHUSC-CQSZACIVSA-N 2 0 289.423 2.609 20 0 CFADRP COC(=O)CCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000116402494 376186397 /nfs/dbraw/zinc/18/63/97/376186397.db2.gz VHTWSNMLMGWMIA-JKSUJKDBSA-N 2 0 296.455 2.526 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841571 376320417 /nfs/dbraw/zinc/32/04/17/376320417.db2.gz TZGSKPJUOSAMQG-KRWDZBQOSA-N 2 0 298.434 2.646 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCc2ccccc2)CC1 ZINC000118868031 376322665 /nfs/dbraw/zinc/32/26/65/376322665.db2.gz JRYRIKQKXFWZFN-UHFFFAOYSA-N 2 0 260.425 2.893 20 0 CFADRP C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000119582541 376438583 /nfs/dbraw/zinc/43/85/83/376438583.db2.gz INRJKZGNOHQHTG-XHSDSOJGSA-N 2 0 276.424 2.837 20 0 CFADRP Cc1ccc(CNCc2ccccc2OCC[NH+](C)C)o1 ZINC000119743941 376463170 /nfs/dbraw/zinc/46/31/70/376463170.db2.gz PSOTZIPGQJBKCB-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP COCC[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000263862678 190082453 /nfs/dbraw/zinc/08/24/53/190082453.db2.gz WRWJFHMEXKLMNU-OAHLLOKOSA-N 2 0 294.439 2.532 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120992397 376739600 /nfs/dbraw/zinc/73/96/00/376739600.db2.gz YEXDXJJAQCJWLC-DOTOQJQBSA-N 2 0 289.467 2.529 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)cn1)C1CC[NH+](C)CC1 ZINC000678926318 542093859 /nfs/dbraw/zinc/09/38/59/542093859.db2.gz HVPAZOAYDYPPAV-NSHDSACASA-N 2 0 267.804 2.555 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678932094 542094688 /nfs/dbraw/zinc/09/46/88/542094688.db2.gz WSSSZDBTBXVTBH-INIZCTEOSA-N 2 0 278.346 2.804 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000121405545 376824993 /nfs/dbraw/zinc/82/49/93/376824993.db2.gz GXXJPJQVNNTDEV-GOEBONIOSA-N 2 0 276.424 2.561 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(CO)c1)C[NH+]1CCCCC1 ZINC000121351380 376813658 /nfs/dbraw/zinc/81/36/58/376813658.db2.gz LZYBZDIPOJUYNB-HOTGVXAUSA-N 2 0 290.451 2.952 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1ccccc1F ZINC000123734620 376974518 /nfs/dbraw/zinc/97/45/18/376974518.db2.gz BQTCUVPDZSYKAX-CQSZACIVSA-N 2 0 268.376 2.510 20 0 CFADRP C(C[NH+]1CCC2(CCC2)C1)OCC[N@@H+]1CCC2(CCC2)C1 ZINC000123393192 376954573 /nfs/dbraw/zinc/95/45/73/376954573.db2.gz VSHASZLQSACNOI-UHFFFAOYSA-N 2 0 292.467 2.755 20 0 CFADRP C[C@H]([C@H](C)Nc1cc[nH+]c2ccccc12)[NH+]1CCOCC1 ZINC000264709015 190130664 /nfs/dbraw/zinc/13/06/64/190130664.db2.gz FZLLFGAEFPDTDE-UONOGXRCSA-N 2 0 285.391 2.756 20 0 CFADRP COCC[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000124503460 377056749 /nfs/dbraw/zinc/05/67/49/377056749.db2.gz AZXSLXDGMJNMFT-OAHLLOKOSA-N 2 0 256.434 2.657 20 0 CFADRP CCCC[C@H](COC)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125400838 377151750 /nfs/dbraw/zinc/15/17/50/377151750.db2.gz MBXFKEIUVKRGIM-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000126077220 377212333 /nfs/dbraw/zinc/21/23/33/377212333.db2.gz LISZHYPNBBKNMM-ZACQAIPSSA-N 2 0 281.488 2.713 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000126077018 377212437 /nfs/dbraw/zinc/21/24/37/377212437.db2.gz LISZHYPNBBKNMM-BRWVUGGUSA-N 2 0 281.488 2.713 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000126167347 377217577 /nfs/dbraw/zinc/21/75/77/377217577.db2.gz PCQJSLRILVQQKY-UHFFFAOYSA-N 3 0 293.499 2.715 20 0 CFADRP c1cnn(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000126975469 377257315 /nfs/dbraw/zinc/25/73/15/377257315.db2.gz MAQYTFNIGBJHCV-UHFFFAOYSA-N 2 0 290.455 2.660 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@H](C)C1 ZINC000127086212 377262754 /nfs/dbraw/zinc/26/27/54/377262754.db2.gz WPEJEWPOZBAOBI-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000128463800 377338658 /nfs/dbraw/zinc/33/86/58/377338658.db2.gz JYTQYCOKOIVBJL-KRWDZBQOSA-N 2 0 286.423 2.678 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129084284 377382503 /nfs/dbraw/zinc/38/25/03/377382503.db2.gz GYSIIWNGEXEXEA-GXTWGEPZSA-N 2 0 262.422 2.955 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000129156647 377391838 /nfs/dbraw/zinc/39/18/38/377391838.db2.gz ZCUISQXYGXCEES-UNXYVOJBSA-N 2 0 266.360 2.755 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000130221663 377522887 /nfs/dbraw/zinc/52/28/87/377522887.db2.gz ZYASOGWEZSRXQH-RVKKMQEKSA-N 2 0 290.451 2.946 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000349714928 284640124 /nfs/dbraw/zinc/64/01/24/284640124.db2.gz CEJRLPGIZZMKNH-ARFHVFGLSA-N 2 0 270.461 2.759 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130478329 377563617 /nfs/dbraw/zinc/56/36/17/377563617.db2.gz RSAXNLWLVZKQJZ-ZWKOTPCHSA-N 2 0 290.451 2.881 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000679394259 542186999 /nfs/dbraw/zinc/18/69/99/542186999.db2.gz ZYHJHRPGPYCGTN-CJNGLKHVSA-N 2 0 262.397 2.554 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000679398419 542187842 /nfs/dbraw/zinc/18/78/42/542187842.db2.gz RSGHRFYPLFGJES-INIZCTEOSA-N 2 0 276.424 2.850 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000679575334 542210878 /nfs/dbraw/zinc/21/08/78/542210878.db2.gz NURMNOSIODSFMU-NSHDSACASA-N 2 0 267.442 2.834 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000679575333 542210886 /nfs/dbraw/zinc/21/08/86/542210886.db2.gz NURMNOSIODSFMU-LLVKDONJSA-N 2 0 267.442 2.834 20 0 CFADRP CC[C@H](NC1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000131289019 377689075 /nfs/dbraw/zinc/68/90/75/377689075.db2.gz VSGYBLIZXOTCSF-AWEZNQCLSA-N 2 0 265.376 2.746 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000132252670 377818549 /nfs/dbraw/zinc/81/85/49/377818549.db2.gz CEZYFRDAPQOHFZ-LBPRGKRZSA-N 2 0 272.314 2.795 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753120 383722645 /nfs/dbraw/zinc/72/26/45/383722645.db2.gz YXSBBXGDGFWCRY-QAPCUYQASA-N 3 0 293.499 2.619 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679722970 542231067 /nfs/dbraw/zinc/23/10/67/542231067.db2.gz ITXVDEKHZUDIDV-BZUAXINKSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000134404116 378010744 /nfs/dbraw/zinc/01/07/44/378010744.db2.gz OVQHZLLUXFAFKS-UHFFFAOYSA-N 2 0 256.777 2.755 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600225 378204599 /nfs/dbraw/zinc/20/45/99/378204599.db2.gz PNGYPRMRZCTEFS-BQFCYCMXSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135880968 378167234 /nfs/dbraw/zinc/16/72/34/378167234.db2.gz MHXPFJWWSYQUNQ-PWSUYJOCSA-N 2 0 272.314 2.875 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150823023 378274391 /nfs/dbraw/zinc/27/43/91/378274391.db2.gz ZGJXKAKPUACLIA-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC)[C@@H](C)C1 ZINC000152167564 378401474 /nfs/dbraw/zinc/40/14/74/378401474.db2.gz KWBGRVBBAKEYLK-ZNMIVQPWSA-N 2 0 256.434 2.512 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151940204 378375270 /nfs/dbraw/zinc/37/52/70/378375270.db2.gz BJMLARHRSSGNRG-KGLIPLIRSA-N 2 0 264.413 2.729 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000153962269 378525953 /nfs/dbraw/zinc/52/59/53/378525953.db2.gz LXGLIYWFOFEDTG-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP O=C1CC[C@@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2ccccc2N1 ZINC000329771241 378495375 /nfs/dbraw/zinc/49/53/75/378495375.db2.gz GRFYYZOOCWWNDI-SMDDNHRTSA-N 2 0 296.374 2.980 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccs1 ZINC000154264072 378552764 /nfs/dbraw/zinc/55/27/64/378552764.db2.gz AHMSJDIRUIGZOV-OAHLLOKOSA-N 2 0 295.496 2.816 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154289918 378555124 /nfs/dbraw/zinc/55/51/24/378555124.db2.gz QYRWDNPDLIIITF-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000154337657 378559109 /nfs/dbraw/zinc/55/91/09/378559109.db2.gz RWUMMVVSJDPSNJ-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000154443788 378567610 /nfs/dbraw/zinc/56/76/10/378567610.db2.gz HKBILINHNKPPPE-HNNXBMFYSA-N 2 0 293.455 2.520 20 0 CFADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154465704 378570200 /nfs/dbraw/zinc/57/02/00/378570200.db2.gz SSVMPLOSEVBSGE-MRXNPFEDSA-N 2 0 268.445 2.534 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000154517721 378574131 /nfs/dbraw/zinc/57/41/31/378574131.db2.gz KHWAGAGBLUOYAH-PWSUYJOCSA-N 2 0 267.442 2.759 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154632496 378586331 /nfs/dbraw/zinc/58/63/31/378586331.db2.gz DHAXVGJSFWPPAF-RYQLBKOJSA-N 2 0 293.499 2.713 20 0 CFADRP CCCCOc1ncccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000154749541 378592789 /nfs/dbraw/zinc/59/27/89/378592789.db2.gz QCSBDKZAVDLAEQ-GOEBONIOSA-N 2 0 291.439 2.690 20 0 CFADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000154789070 378594565 /nfs/dbraw/zinc/59/45/65/378594565.db2.gz AQBVCBLGNKNBEM-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@H](C)C1 ZINC000266147516 190234609 /nfs/dbraw/zinc/23/46/09/190234609.db2.gz VZTPYWQMGIZCTF-GDBMZVCRSA-N 2 0 275.440 2.573 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000161896757 378878982 /nfs/dbraw/zinc/87/89/82/378878982.db2.gz PJYYVHHEICELGW-HNNXBMFYSA-N 2 0 276.424 2.511 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1C[NH3+] ZINC000163427505 378971229 /nfs/dbraw/zinc/97/12/29/378971229.db2.gz XIFTUXANIZXACE-ZFWWWQNUSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163430743 378971465 /nfs/dbraw/zinc/97/14/65/378971465.db2.gz XAWAKDNSBBAEJX-BXUZGUMPSA-N 2 0 250.361 2.551 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000163584215 378981661 /nfs/dbraw/zinc/98/16/61/378981661.db2.gz GCZPWEBGUWZLEE-WMZOPIPTSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccncc1Cl ZINC000529569570 383733122 /nfs/dbraw/zinc/73/31/22/383733122.db2.gz ODZZWNKTGSCXSD-FZMZJTMJSA-N 2 0 267.804 2.507 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccncc1Cl)CC[NH2+]CC2 ZINC000335278676 379016270 /nfs/dbraw/zinc/01/62/70/379016270.db2.gz MTCREYTZPKCYIT-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)CC[N@@H+]1C ZINC000164685664 379021984 /nfs/dbraw/zinc/02/19/84/379021984.db2.gz UYDFVEUVNFPGNZ-RYUDHWBXSA-N 2 0 268.351 2.580 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000165979169 379047160 /nfs/dbraw/zinc/04/71/60/379047160.db2.gz HDFWXPMFRMWQTH-YOEHRIQHSA-N 2 0 294.439 2.703 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000334313451 379077154 /nfs/dbraw/zinc/07/71/54/379077154.db2.gz WQFHOTXXPJAYGR-JKSUJKDBSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000168589881 379091555 /nfs/dbraw/zinc/09/15/55/379091555.db2.gz KAHZEDYQVMITIW-VWYCJHECSA-N 2 0 252.324 2.647 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000334316028 379080277 /nfs/dbraw/zinc/08/02/77/379080277.db2.gz RTIZMODGKVQFPV-QWRGUYRKSA-N 2 0 262.328 2.741 20 0 CFADRP Cc1cccc2ncc(CN3CC[C@H]([NH+]4CCCCC4)C3)n21 ZINC000335320046 379081060 /nfs/dbraw/zinc/08/10/60/379081060.db2.gz YRUQMCAEKRYXOF-INIZCTEOSA-N 2 0 298.434 2.703 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000335339099 379119072 /nfs/dbraw/zinc/11/90/72/379119072.db2.gz GQVJZNDCIIXFRA-UHFFFAOYSA-N 2 0 282.391 2.952 20 0 CFADRP C[C@H]([NH2+]CCCCNc1ccccn1)C1CC[NH+](C)CC1 ZINC000162920578 542265400 /nfs/dbraw/zinc/26/54/00/542265400.db2.gz QDZNGCZFWRMYFM-HNNXBMFYSA-N 2 0 290.455 2.594 20 0 CFADRP F[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335426167 379275987 /nfs/dbraw/zinc/27/59/87/379275987.db2.gz ZHZYPCFAYBPQNH-UKRRQHHQSA-N 2 0 277.387 2.921 20 0 CFADRP Cc1ccc(-c2ncc[nH]2)cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000335481294 379375592 /nfs/dbraw/zinc/37/55/92/379375592.db2.gz VARLWHMBDROFPO-JSGCOSHPSA-N 2 0 298.390 2.712 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000335522503 379447642 /nfs/dbraw/zinc/44/76/42/379447642.db2.gz VUKBPGZCHSAZGU-MLGOLLRUSA-N 2 0 262.372 2.792 20 0 CFADRP CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000171810382 379407651 /nfs/dbraw/zinc/40/76/51/379407651.db2.gz YGODNVHAHMETGK-UHFFFAOYSA-N 2 0 255.365 2.767 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(C(N)=O)cs1)CC[NH2+]CC2 ZINC000335543461 379485491 /nfs/dbraw/zinc/48/54/91/379485491.db2.gz LOXJSRLLYMUMTK-LLVKDONJSA-N 2 0 293.436 2.595 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335544629 379487391 /nfs/dbraw/zinc/48/73/91/379487391.db2.gz UZCZFNCQWMHLMS-CQSZACIVSA-N 2 0 290.455 2.736 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)s1 ZINC000172197808 379516777 /nfs/dbraw/zinc/51/67/77/379516777.db2.gz NHGQEXQPQIYRPK-CYBMUJFWSA-N 2 0 252.427 2.748 20 0 CFADRP [NH3+]C1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000334587534 379581849 /nfs/dbraw/zinc/58/18/49/379581849.db2.gz OVUKMOZUNBWUSJ-CQSZACIVSA-N 2 0 250.773 2.750 20 0 CFADRP Fc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335633583 379631809 /nfs/dbraw/zinc/63/18/09/379631809.db2.gz KMZCOGMXOHFAID-KBPBESRZSA-N 2 0 262.372 2.647 20 0 CFADRP Cc1cc(F)c(CN2CC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000335638685 379642886 /nfs/dbraw/zinc/64/28/86/379642886.db2.gz IVOJYYZRDYYOHJ-WDEREUQCSA-N 2 0 270.779 2.957 20 0 CFADRP Cc1nc2ccc(CN[C@H]3CC[NH2+]C3(C)C)cc2s1 ZINC000335645165 379653653 /nfs/dbraw/zinc/65/36/53/379653653.db2.gz BJGKHZDTNMCVRE-AWEZNQCLSA-N 2 0 275.421 2.835 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000571926926 383739575 /nfs/dbraw/zinc/73/95/75/383739575.db2.gz JDYLIRHHONTKCR-UHFFFAOYSA-N 2 0 290.436 2.699 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(CCOc2cccc(C)c2)C1 ZINC000173887715 379792833 /nfs/dbraw/zinc/79/28/33/379792833.db2.gz IPAWSXXAQIFVQH-INIZCTEOSA-N 2 0 276.424 2.647 20 0 CFADRP Clc1cccc2c1CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000334842015 379930561 /nfs/dbraw/zinc/93/05/61/379930561.db2.gz IRXXUYUWXJCRGE-CQSZACIVSA-N 2 0 250.773 2.669 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334872868 379936770 /nfs/dbraw/zinc/93/67/70/379936770.db2.gz NQLROKGXYDBZLG-HOCLYGCPSA-N 2 0 280.456 2.833 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000334981527 379950538 /nfs/dbraw/zinc/95/05/38/379950538.db2.gz REZFVBJMBIVBHA-WBVHZDCISA-N 2 0 273.424 2.520 20 0 CFADRP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]C1CC[NH2+]CC1 ZINC000335016724 379957474 /nfs/dbraw/zinc/95/74/74/379957474.db2.gz HSJHBNRRPXQWCE-BYICEURKSA-N 2 0 270.420 2.522 20 0 CFADRP Fc1ccc2c(c1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000335237210 380059248 /nfs/dbraw/zinc/05/92/48/380059248.db2.gz CVGHAPZJKKTJRV-UHFFFAOYSA-N 2 0 262.372 2.574 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335238001 380061236 /nfs/dbraw/zinc/06/12/36/380061236.db2.gz IAROKKIRGLPMTK-ROUUACIJSA-N 2 0 288.435 2.713 20 0 CFADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000335253956 380088067 /nfs/dbraw/zinc/08/80/67/380088067.db2.gz GEGZVXLPJHCYIO-IRXDYDNUSA-N 2 0 292.467 2.677 20 0 CFADRP Cc1ccnc(C)c1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335963753 380168345 /nfs/dbraw/zinc/16/83/45/380168345.db2.gz YVCLQPREVVKXQZ-AWEZNQCLSA-N 2 0 290.411 2.646 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000268399562 190399871 /nfs/dbraw/zinc/39/98/71/190399871.db2.gz BIPCUPYATDUCHU-UHFFFAOYSA-N 2 0 296.842 2.665 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000336146055 380275247 /nfs/dbraw/zinc/27/52/47/380275247.db2.gz ZWGGUHASUNLFHU-MRXNPFEDSA-N 2 0 276.811 2.659 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000336313436 380315316 /nfs/dbraw/zinc/31/53/16/380315316.db2.gz JLOSPDQRVABAHO-ZBFHGGJFSA-N 2 0 280.456 2.941 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000336550468 380453131 /nfs/dbraw/zinc/45/31/31/380453131.db2.gz XPYSPTYGNNNJRN-UHFFFAOYSA-N 2 0 280.799 2.634 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000452059149 383746289 /nfs/dbraw/zinc/74/62/89/383746289.db2.gz ZEGFJQSXCIIJFR-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000178113229 380411584 /nfs/dbraw/zinc/41/15/84/380411584.db2.gz PPAZEJPSTKOTNC-XHSDSOJGSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972036 380496611 /nfs/dbraw/zinc/49/66/11/380496611.db2.gz VCXJPRLHICGMGJ-MRXNPFEDSA-N 2 0 274.408 2.832 20 0 CFADRP c1csc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178955877 380496685 /nfs/dbraw/zinc/49/66/85/380496685.db2.gz KBUMCWZJZWZEID-CYBMUJFWSA-N 2 0 250.411 2.885 20 0 CFADRP CCS[C@H]1CC[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178976761 380497729 /nfs/dbraw/zinc/49/77/29/380497729.db2.gz IOFFRGNIMCZIFP-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000336604947 380536075 /nfs/dbraw/zinc/53/60/75/380536075.db2.gz IEQJBYCOEBGVBJ-HNNXBMFYSA-N 2 0 262.372 2.647 20 0 CFADRP COCC1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000449173570 284836437 /nfs/dbraw/zinc/83/64/37/284836437.db2.gz ODDMOYCCTYEURP-CKUJCDMFSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000336785611 380630642 /nfs/dbraw/zinc/63/06/42/380630642.db2.gz ABCSYDLTYFFDAT-WDEREUQCSA-N 2 0 254.349 2.612 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336677702 380588849 /nfs/dbraw/zinc/58/88/49/380588849.db2.gz AAEWGLPGNONKFK-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000336710448 380602656 /nfs/dbraw/zinc/60/26/56/380602656.db2.gz KRSJQFFSWPPUHQ-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCSC(C)C)C1 ZINC000336719610 380610104 /nfs/dbraw/zinc/61/01/04/380610104.db2.gz VTQYATNJQQLDAT-CQSZACIVSA-N 2 0 258.475 2.792 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000180464906 380663930 /nfs/dbraw/zinc/66/39/30/380663930.db2.gz KDNSBZOAYFTFGM-RHSMWYFYSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@H](CCNCc1cc(F)ncc1F)[NH+]1CCCCC1 ZINC000295357206 380807433 /nfs/dbraw/zinc/80/74/33/380807433.db2.gz IVSLMPCYGXSMGI-GFCCVEGCSA-N 2 0 283.366 2.714 20 0 CFADRP Cc1ccnc(C)c1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000287385683 380819712 /nfs/dbraw/zinc/81/97/12/380819712.db2.gz CKFUEZDEAFPUGR-GXTWGEPZSA-N 2 0 290.411 2.645 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346999273 380863468 /nfs/dbraw/zinc/86/34/68/380863468.db2.gz FXJISJDCIPWOAI-ZFWWWQNUSA-N 2 0 284.407 2.636 20 0 CFADRP CSCC1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400729960 380864355 /nfs/dbraw/zinc/86/43/55/380864355.db2.gz QHGAZAWQLIORLH-GFJIZPEISA-N 2 0 256.459 2.638 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000287557675 380865328 /nfs/dbraw/zinc/86/53/28/380865328.db2.gz QACTXHBCMQHEPA-DLBZAZTESA-N 2 0 273.424 2.539 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000400986828 380866159 /nfs/dbraw/zinc/86/61/59/380866159.db2.gz ZNFJGXLRDBDKRI-UZGDPCLZSA-N 2 0 250.411 2.787 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1F ZINC000400961786 380866221 /nfs/dbraw/zinc/86/62/21/380866221.db2.gz BXPTWMBIQHBIIX-RFQIPJPRSA-N 2 0 262.372 2.864 20 0 CFADRP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(C)(C)[NH3+] ZINC000347003111 380869137 /nfs/dbraw/zinc/86/91/37/380869137.db2.gz KMJQBSCXZUDYEJ-AAEUAGOBSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000399975698 380851317 /nfs/dbraw/zinc/85/13/17/380851317.db2.gz CXLUJNUPFKREEQ-IINYFYTJSA-N 2 0 252.427 2.937 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346993856 380857026 /nfs/dbraw/zinc/85/70/26/380857026.db2.gz AVXNWINEVGNYMG-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP CC(C)([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000346994065 380857833 /nfs/dbraw/zinc/85/78/33/380857833.db2.gz UXZLBEOIMDAQPT-GFCCVEGCSA-N 2 0 250.361 2.650 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000295442699 380857851 /nfs/dbraw/zinc/85/78/51/380857851.db2.gz PNRXDCAXNWFPAX-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)[C@@H](C)C1 ZINC000353798067 380858425 /nfs/dbraw/zinc/85/84/25/380858425.db2.gz SYYWPUHPKRFDCG-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400414846 380858800 /nfs/dbraw/zinc/85/88/00/380858800.db2.gz UUPBMFONNQUETM-QAPCUYQASA-N 2 0 289.467 2.759 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400414842 380859922 /nfs/dbraw/zinc/85/99/22/380859922.db2.gz UUPBMFONNQUETM-MAUKXSAKSA-N 2 0 289.467 2.759 20 0 CFADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1SC ZINC000347035462 380895922 /nfs/dbraw/zinc/89/59/22/380895922.db2.gz GUGAXVXANKPXLI-GFCCVEGCSA-N 2 0 294.464 2.976 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358521662 380901502 /nfs/dbraw/zinc/90/15/02/380901502.db2.gz YHRIAXOTNFTDOC-UHFFFAOYSA-N 2 0 272.436 2.867 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(SC)c(OC)c2)CC1 ZINC000347063625 380915840 /nfs/dbraw/zinc/91/58/40/380915840.db2.gz CFBBHRRDHUTXPK-UHFFFAOYSA-N 2 0 294.464 2.849 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(Cc2cnc3ccc(C)cn23)C[C@@H]1C ZINC000353876870 380920188 /nfs/dbraw/zinc/92/01/88/380920188.db2.gz NZWARKSPKMIYGF-GJZGRUSLSA-N 2 0 286.423 2.557 20 0 CFADRP C[C@@H]1C[C@H](Nc2cc[nH+]cc2-c2cccnc2)C[N@@H+]1C1CC1 ZINC000368179672 380950178 /nfs/dbraw/zinc/95/01/78/380950178.db2.gz WWVFZDMSNQFQBG-HIFRSBDPSA-N 2 0 294.402 2.603 20 0 CFADRP C[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH2+]CC1 ZINC000347120665 380953641 /nfs/dbraw/zinc/95/36/41/380953641.db2.gz VVJOUNOAVASTLU-UHFFFAOYSA-N 2 0 281.403 2.932 20 0 CFADRP C[NH2+]CC1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000347136090 380963137 /nfs/dbraw/zinc/96/31/37/380963137.db2.gz TZMXYDRUPOVVMC-IHWYPQMZSA-N 2 0 280.362 2.909 20 0 CFADRP C[NH2+]CC1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000347136095 380963816 /nfs/dbraw/zinc/96/38/16/380963816.db2.gz TZMXYDRUPOVVMC-NSCUHMNNSA-N 2 0 280.362 2.909 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000353935184 380970224 /nfs/dbraw/zinc/97/02/24/380970224.db2.gz ZDSYDLNGZLHCKQ-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CN(Cc1cnc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000347096909 380935114 /nfs/dbraw/zinc/93/51/14/380935114.db2.gz IMXICWSVZAHFRA-UHFFFAOYSA-N 2 0 267.442 2.624 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000347099982 380937834 /nfs/dbraw/zinc/93/78/34/380937834.db2.gz JXKCNUHAROYAHP-UHFFFAOYSA-N 2 0 290.436 2.570 20 0 CFADRP CO[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000182173040 381009642 /nfs/dbraw/zinc/00/96/42/381009642.db2.gz ANPRVWPASMCIPU-ARFHVFGLSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOC1 ZINC000358708876 381025572 /nfs/dbraw/zinc/02/55/72/381025572.db2.gz CLVOONSNHONIOW-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H](O)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358711661 381028102 /nfs/dbraw/zinc/02/81/02/381028102.db2.gz HVTWMCKCFWIPQY-KRWDZBQOSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@H](C[NH3+])N(C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000347199340 380998342 /nfs/dbraw/zinc/99/83/42/380998342.db2.gz JBMMEGFLPWQGEB-QMMMGPOBSA-N 2 0 264.266 2.624 20 0 CFADRP COC1CC([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000347201565 381000384 /nfs/dbraw/zinc/00/03/84/381000384.db2.gz KHOZKNMLMDWJJP-WXLSXGNJSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1nccn1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358669669 381003640 /nfs/dbraw/zinc/00/36/40/381003640.db2.gz VCBKEHBWGRIMBG-UHFFFAOYSA-N 2 0 290.455 2.578 20 0 CFADRP C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)c1nccn1C ZINC000182275317 381046241 /nfs/dbraw/zinc/04/62/41/381046241.db2.gz OBPDKIJZKQMIGB-OAHLLOKOSA-N 2 0 298.434 2.519 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368530573 381056960 /nfs/dbraw/zinc/05/69/60/381056960.db2.gz NRBCWGQOVBFHNC-ROUUACIJSA-N 2 0 290.451 2.913 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000358768136 381070278 /nfs/dbraw/zinc/07/02/78/381070278.db2.gz FPRBUVBHWDOKIQ-ZIAGYGMSSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000368464593 381035040 /nfs/dbraw/zinc/03/50/40/381035040.db2.gz BPGDHGWVTSXXJW-IXDOHACOSA-N 2 0 294.483 2.902 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCC(=O)OC)CC1)CC(C)C ZINC000358737361 381045504 /nfs/dbraw/zinc/04/55/04/381045504.db2.gz OXXZKSZRFAVIHD-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000182452887 381090934 /nfs/dbraw/zinc/09/09/34/381090934.db2.gz JNCVSHJXHBOEMC-CABCVRRESA-N 2 0 278.444 2.583 20 0 CFADRP C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1nccn1C ZINC000182475584 381094048 /nfs/dbraw/zinc/09/40/48/381094048.db2.gz ALMRSIHXBXLIAM-ZFWWWQNUSA-N 2 0 278.444 2.581 20 0 CFADRP C[C@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289686026 381103312 /nfs/dbraw/zinc/10/33/12/381103312.db2.gz ZSWANSDSEKFQGG-DOTOQJQBSA-N 2 0 287.451 2.867 20 0 CFADRP COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289696242 381108848 /nfs/dbraw/zinc/10/88/48/381108848.db2.gz DNCGEFWBSYSOAI-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccsc1 ZINC000295841735 381110317 /nfs/dbraw/zinc/11/03/17/381110317.db2.gz FPYHJJOWRQBUNT-CQSZACIVSA-N 2 0 270.442 2.757 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000368749726 381123287 /nfs/dbraw/zinc/12/32/87/381123287.db2.gz IIQTVFMXLLLSCO-CQSZACIVSA-N 2 0 289.423 2.514 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CCOCC4(CCC4)C3)cc2)cn1 ZINC000368706101 381115997 /nfs/dbraw/zinc/11/59/97/381115997.db2.gz BPVFVOKTIVUDGN-UHFFFAOYSA-N 2 0 297.402 2.875 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000182593437 381117275 /nfs/dbraw/zinc/11/72/75/381117275.db2.gz PBHJWOVHLFYYLW-OAGGEKHMSA-N 2 0 250.430 2.910 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CCCCO1 ZINC000347415627 381137560 /nfs/dbraw/zinc/13/75/60/381137560.db2.gz RFPYMMRGSUSYFO-IAGOWNOFSA-N 2 0 280.456 2.896 20 0 CFADRP CC1CCN(C(=[NH2+])NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000341637278 381141692 /nfs/dbraw/zinc/14/16/92/381141692.db2.gz RGMZYEOMZXIXTB-UHFFFAOYSA-N 2 0 294.487 2.897 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000182762528 381151763 /nfs/dbraw/zinc/15/17/63/381151763.db2.gz CQIZYOXCDIKQIT-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000354180881 381125737 /nfs/dbraw/zinc/12/57/37/381125737.db2.gz JPAWIGABRBOGDF-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1n1ccnc1 ZINC000347489803 381182686 /nfs/dbraw/zinc/18/26/86/381182686.db2.gz OCUAFCADNVWVIK-PMPSAXMXSA-N 2 0 277.412 2.725 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CCC1 ZINC000289849428 381186490 /nfs/dbraw/zinc/18/64/90/381186490.db2.gz BDDQBOIGUJGPJW-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP CC(C)=CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182951474 381187817 /nfs/dbraw/zinc/18/78/17/381187817.db2.gz AKCREVIUMIXNBR-UHFFFAOYSA-N 2 0 280.456 2.777 20 0 CFADRP CC(C)COCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000369117543 381195543 /nfs/dbraw/zinc/19/55/43/381195543.db2.gz QRYPXTLQIXVPCJ-INIZCTEOSA-N 2 0 294.483 2.855 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000341892202 381200848 /nfs/dbraw/zinc/20/08/48/381200848.db2.gz AZSFDQJZCOFASG-HHARLNAUSA-N 2 0 281.488 2.568 20 0 CFADRP CC(C)n1nccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369142542 381201444 /nfs/dbraw/zinc/20/14/44/381201444.db2.gz JLEUCTUTRSQPST-INIZCTEOSA-N 2 0 290.455 2.772 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000354329329 381206696 /nfs/dbraw/zinc/20/66/96/381206696.db2.gz KYZAJORBNKKMBI-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000354331742 381207745 /nfs/dbraw/zinc/20/77/45/381207745.db2.gz RWYGNWURFBBAJR-ULQDDVLXSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296028366 381219050 /nfs/dbraw/zinc/21/90/50/381219050.db2.gz SPPWJANIGAWYBT-FFHGMXDLSA-N 2 0 259.397 2.666 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@H]21 ZINC000342087027 381210953 /nfs/dbraw/zinc/21/09/53/381210953.db2.gz PDOMRWTYTGYUMT-DJIMGWMZSA-N 2 0 280.456 2.785 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CCC(F)(F)CC1 ZINC000347617116 381257279 /nfs/dbraw/zinc/25/72/79/381257279.db2.gz MYFYKWHXUXEFKV-GFCCVEGCSA-N 2 0 260.372 2.980 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000354432456 381262063 /nfs/dbraw/zinc/26/20/63/381262063.db2.gz YPDULVCQFJBYRJ-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cn1 ZINC000347632332 381266138 /nfs/dbraw/zinc/26/61/38/381266138.db2.gz AYTJILGHJFSHFN-CQSZACIVSA-N 2 0 270.380 2.747 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1C(C)(C)C1(C)C ZINC000354355038 381221506 /nfs/dbraw/zinc/22/15/06/381221506.db2.gz ZYIMVQDNFWEQRZ-HUUCEWRRSA-N 2 0 296.499 2.884 20 0 CFADRP CC(=O)c1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000296041888 381225455 /nfs/dbraw/zinc/22/54/55/381225455.db2.gz PVGAJBFIKYPDMR-QGZVFWFLSA-N 2 0 274.408 2.805 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000359038224 381227801 /nfs/dbraw/zinc/22/78/01/381227801.db2.gz RCRKECDZBZLTCI-KBAYOESNSA-N 2 0 290.451 2.564 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000289961817 381237477 /nfs/dbraw/zinc/23/74/77/381237477.db2.gz WZGXAAGXQMGNRK-HOCLYGCPSA-N 2 0 288.435 2.799 20 0 CFADRP c1ccc(N[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359228453 381298901 /nfs/dbraw/zinc/29/89/01/381298901.db2.gz XHVRGEHKWIBMKR-QGZVFWFLSA-N 2 0 273.424 2.563 20 0 CFADRP C([C@H]1CCSC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000369481620 381273252 /nfs/dbraw/zinc/27/32/52/381273252.db2.gz JANZVOHXEZWTRQ-FMKPAKJESA-N 2 0 280.481 2.688 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000369728959 381321460 /nfs/dbraw/zinc/32/14/60/381321460.db2.gz FRKFQUMJKOODHC-KBPBESRZSA-N 2 0 268.470 2.688 20 0 CFADRP Cc1ccncc1CCC[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000290191924 381336045 /nfs/dbraw/zinc/33/60/45/381336045.db2.gz CGOXPPVZCYHQEE-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000183702816 381307300 /nfs/dbraw/zinc/30/73/00/381307300.db2.gz PNTHJZBIHRBHJI-LSDHHAIUSA-N 2 0 298.471 2.817 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccnc1 ZINC000359259871 381314083 /nfs/dbraw/zinc/31/40/83/381314083.db2.gz HQXOIWZMQOHFKI-MRXNPFEDSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000342412821 381318099 /nfs/dbraw/zinc/31/80/99/381318099.db2.gz HHGDPZMVBIHEMB-HIFRSBDPSA-N 2 0 291.439 2.546 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000296356065 381359907 /nfs/dbraw/zinc/35/99/07/381359907.db2.gz HSCBQSVRTBTFSL-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C(C)(C)C ZINC000290313033 381379152 /nfs/dbraw/zinc/37/91/52/381379152.db2.gz NTPBVTPYBTTYDR-AWEZNQCLSA-N 2 0 293.455 2.936 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000354621585 381369987 /nfs/dbraw/zinc/36/99/87/381369987.db2.gz AJAPOYMPZACVLA-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CN(C)Cc1cnc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000347837324 381371514 /nfs/dbraw/zinc/37/15/14/381371514.db2.gz AMKMELQSLDNHQO-JSGCOSHPSA-N 2 0 279.453 2.969 20 0 CFADRP C[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347853488 381379615 /nfs/dbraw/zinc/37/96/15/381379615.db2.gz BWBHLVKTGUVJGQ-VXGBXAGGSA-N 2 0 267.442 2.825 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290305670 381376215 /nfs/dbraw/zinc/37/62/15/381376215.db2.gz BSMDXTXNHCQWMR-QZTJIDSGSA-N 2 0 288.435 2.749 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000359429793 381409834 /nfs/dbraw/zinc/40/98/34/381409834.db2.gz JANIZFVDXJHOIR-UHFFFAOYSA-N 2 0 273.405 2.774 20 0 CFADRP CSC1(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000347857875 381382792 /nfs/dbraw/zinc/38/27/92/381382792.db2.gz OZAFDKLORMLYBT-CYBMUJFWSA-N 2 0 256.459 2.688 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000370130248 381388963 /nfs/dbraw/zinc/38/89/63/381388963.db2.gz CNFAQTLZYHBROS-BZSNNMDCSA-N 2 0 290.451 2.533 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290337116 381389647 /nfs/dbraw/zinc/38/96/47/381389647.db2.gz FEWAFTALVSRCHA-MSOLQXFVSA-N 2 0 288.435 2.749 20 0 CFADRP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370159442 381395112 /nfs/dbraw/zinc/39/51/12/381395112.db2.gz CLMIANCXLULXIO-TZMCWYRMSA-N 2 0 294.468 2.655 20 0 CFADRP Cn1cc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)C)cn1 ZINC000342559028 381395959 /nfs/dbraw/zinc/39/59/59/381395959.db2.gz FJDUFKWHRLMTTH-PMPSAXMXSA-N 2 0 290.455 2.724 20 0 CFADRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370163979 381397029 /nfs/dbraw/zinc/39/70/29/381397029.db2.gz VDJGPRUKQSAEGN-OCCSQVGLSA-N 2 0 294.468 2.511 20 0 CFADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1cccs1 ZINC000370162457 381397254 /nfs/dbraw/zinc/39/72/54/381397254.db2.gz OUTBIDSAAATHOX-AAEUAGOBSA-N 2 0 294.468 2.653 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CCCCC2)[C@H](C)C1 ZINC000354675678 381398186 /nfs/dbraw/zinc/39/81/86/381398186.db2.gz OUFPASKRGRUAFC-PVAVHDDUSA-N 2 0 282.472 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2CCCC2)[C@H](C)C1 ZINC000354673838 381399329 /nfs/dbraw/zinc/39/93/29/381399329.db2.gz NQKGRBLEDGVLHB-OIISXLGYSA-N 2 0 282.472 2.590 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000290456291 381435964 /nfs/dbraw/zinc/43/59/64/381435964.db2.gz MRMVFGCLURTWSZ-GUYCJALGSA-N 2 0 271.408 2.940 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000296530251 381436162 /nfs/dbraw/zinc/43/61/62/381436162.db2.gz SOPNEIMVJGOMBY-GFCCVEGCSA-N 2 0 250.411 2.630 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000296608696 381471245 /nfs/dbraw/zinc/47/12/45/381471245.db2.gz WDUOBRVUABIGRB-CGTJXYLNSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(C)c1O ZINC000290514853 381460459 /nfs/dbraw/zinc/46/04/59/381460459.db2.gz XFEGWHYTPQBBID-CVEARBPZSA-N 2 0 276.424 2.971 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000354884667 381506609 /nfs/dbraw/zinc/50/66/09/381506609.db2.gz DURIRISIRFBEJM-QZTJIDSGSA-N 2 0 294.483 2.878 20 0 CFADRP CCSCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348328675 381510691 /nfs/dbraw/zinc/51/06/91/381510691.db2.gz VISFZHASVNAXJE-IAGOWNOFSA-N 2 0 290.476 2.803 20 0 CFADRP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000354899763 381512869 /nfs/dbraw/zinc/51/28/69/381512869.db2.gz VVPZVVQAELBTJZ-ZWKOTPCHSA-N 2 0 294.483 2.878 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000290610953 381497677 /nfs/dbraw/zinc/49/76/77/381497677.db2.gz WNAHSPGFMYJBPV-YOEHRIQHSA-N 2 0 286.419 2.734 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCOC ZINC000348311760 381499888 /nfs/dbraw/zinc/49/98/88/381499888.db2.gz IVISGONUCGWKHC-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CCc1ccc2[nH+]ccc(N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)c2c1 ZINC000296812836 381545668 /nfs/dbraw/zinc/54/56/68/381545668.db2.gz QELPWUYVPPTOKU-GASCZTMLSA-N 2 0 281.403 2.795 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000359638680 381526905 /nfs/dbraw/zinc/52/69/05/381526905.db2.gz UDEZVPSZOUHJFM-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000414299450 381575319 /nfs/dbraw/zinc/57/53/19/381575319.db2.gz ABTKAVYFVGZCIM-CQSZACIVSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414054582 381557620 /nfs/dbraw/zinc/55/76/20/381557620.db2.gz NKZYOPPXHRZNRX-LSDHHAIUSA-N 2 0 292.471 2.990 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)COC)[C@@H](C)C1 ZINC000348413029 381557700 /nfs/dbraw/zinc/55/77/00/381557700.db2.gz OUDQMDXYFJMKEX-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c(C)c1 ZINC000414079997 381558637 /nfs/dbraw/zinc/55/86/37/381558637.db2.gz SKKCQEZNCZTXHW-CQSZACIVSA-N 2 0 264.413 2.996 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000185190597 381558582 /nfs/dbraw/zinc/55/85/82/381558582.db2.gz TVUQVFXWKPMABL-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414067410 381558992 /nfs/dbraw/zinc/55/89/92/381558992.db2.gz AHADYPIHFFTBQL-AALSBFMBSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cn1 ZINC000342818358 381565587 /nfs/dbraw/zinc/56/55/87/381565587.db2.gz NVXKTYABSJCPOP-SJORKVTESA-N 2 0 274.408 2.966 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000348004384 284896396 /nfs/dbraw/zinc/89/63/96/284896396.db2.gz NBQLQTVYDLIKNA-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000185223232 381568186 /nfs/dbraw/zinc/56/81/86/381568186.db2.gz XSKGUVXPHACPML-RRFJBIMHSA-N 2 0 268.445 2.510 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414202964 381571573 /nfs/dbraw/zinc/57/15/73/381571573.db2.gz ZQIPDYRCCUWCEA-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC1CCCC1 ZINC000371295114 381583655 /nfs/dbraw/zinc/58/36/55/381583655.db2.gz OVTNKNIRDAPYNJ-IKGGRYGDSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)CC[NH2+]1 ZINC000414689456 381600696 /nfs/dbraw/zinc/60/06/96/381600696.db2.gz GIHMZALTXOOCET-KONPQCLYSA-N 2 0 288.435 2.837 20 0 CFADRP CCN(CC)C(=O)C1(NC[C@@H]([NH3+])CC(C)C)CCCCC1 ZINC000414704094 381600911 /nfs/dbraw/zinc/60/09/11/381600911.db2.gz JFVOHPJDJMSVLM-HNNXBMFYSA-N 2 0 297.487 2.521 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290929264 381601041 /nfs/dbraw/zinc/60/10/41/381601041.db2.gz RRJLWZDJMLKZET-UHFFFAOYSA-N 2 0 276.211 2.820 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC1CCCC1 ZINC000371295115 381585017 /nfs/dbraw/zinc/58/50/17/381585017.db2.gz OVTNKNIRDAPYNJ-IXDOHACOSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414677830 381597177 /nfs/dbraw/zinc/59/71/77/381597177.db2.gz PMOGEBKEKPREHL-KEYYUXOJSA-N 2 0 292.398 2.587 20 0 CFADRP [NH3+]CCC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000414673754 381597576 /nfs/dbraw/zinc/59/75/76/381597576.db2.gz JRZDRATZOSRSRX-GOSISDBHSA-N 2 0 266.388 2.983 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414835831 381608351 /nfs/dbraw/zinc/60/83/51/381608351.db2.gz IQDGBZGPSALZRM-WHXUTIOJSA-N 2 0 252.324 2.553 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414876096 381609649 /nfs/dbraw/zinc/60/96/49/381609649.db2.gz VNBPQJVNYGJSQI-AWEZNQCLSA-N 2 0 285.435 2.923 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000414924785 381614024 /nfs/dbraw/zinc/61/40/24/381614024.db2.gz KUMYUWKNFWIKGR-RYUDHWBXSA-N 2 0 288.313 2.945 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000342929919 381621595 /nfs/dbraw/zinc/62/15/95/381621595.db2.gz SJULIADCXNKNNO-XUWVNRHRSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@H]1[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C[C@H]1c1ccccc1 ZINC000414943342 381634527 /nfs/dbraw/zinc/63/45/27/381634527.db2.gz NRGFUWSLFPWADG-LYHPXFHOSA-N 2 0 258.409 2.766 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414944897 381636990 /nfs/dbraw/zinc/63/69/90/381636990.db2.gz QRAMYRJQHUBMHC-GRDNDAEWSA-N 2 0 276.424 2.604 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000359844950 381638191 /nfs/dbraw/zinc/63/81/91/381638191.db2.gz LCMDQVZMQVYYLL-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000355125706 381629456 /nfs/dbraw/zinc/62/94/56/381629456.db2.gz DJTIRZJBMATWFK-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@]1(C[NH2+]C[C@H](C)CCc2ccccc2)CCC[NH2+]1 ZINC000414943165 381633650 /nfs/dbraw/zinc/63/36/50/381633650.db2.gz LPNZDEDADRNOOK-SJLPKXTDSA-N 2 0 290.451 2.614 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414956642 381650295 /nfs/dbraw/zinc/65/02/95/381650295.db2.gz NQASNFRLWATWLN-XJKSGUPXSA-N 2 0 262.397 2.561 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCc2cccc(F)c2)CCC[NH2+]1 ZINC000414947739 381638448 /nfs/dbraw/zinc/63/84/48/381638448.db2.gz VXHDQCSKBMOKQR-PBHICJAKSA-N 2 0 294.414 2.505 20 0 CFADRP CC1([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414948115 381638680 /nfs/dbraw/zinc/63/86/80/381638680.db2.gz XPMGCAPCVZNSGX-UHFFFAOYSA-N 2 0 272.314 2.937 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2cccc(F)c2)CCC[NH2+]1 ZINC000414947745 381639293 /nfs/dbraw/zinc/63/92/93/381639293.db2.gz VXHDQCSKBMOKQR-YOEHRIQHSA-N 2 0 294.414 2.505 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414950341 381641705 /nfs/dbraw/zinc/64/17/05/381641705.db2.gz OLMCRSWYGURBPV-VYDXJSESSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1 ZINC000414957282 381650122 /nfs/dbraw/zinc/65/01/22/381650122.db2.gz VZZYKOWPNGAIPA-JMSVASOKSA-N 2 0 250.361 2.659 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCc2ccccc2F)CCC[NH2+]1 ZINC000414955435 381646541 /nfs/dbraw/zinc/64/65/41/381646541.db2.gz NAECPLBHCWEXRU-WMLDXEAASA-N 2 0 294.414 2.505 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414960785 381655770 /nfs/dbraw/zinc/65/57/70/381655770.db2.gz YKLLRAJITPSZQL-GOEBONIOSA-N 2 0 276.424 2.952 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414962930 381658509 /nfs/dbraw/zinc/65/85/09/381658509.db2.gz TUATXRZUXBSUEJ-XJKSGUPXSA-N 2 0 262.397 2.563 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414964566 381662425 /nfs/dbraw/zinc/66/24/25/381662425.db2.gz DUYGXKRJBWIALB-ABCZVMIZSA-N 2 0 262.372 2.817 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000414967129 381663603 /nfs/dbraw/zinc/66/36/03/381663603.db2.gz POOBAZPIQLLBEV-CVEARBPZSA-N 2 0 288.435 2.674 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414968270 381665864 /nfs/dbraw/zinc/66/58/64/381665864.db2.gz YKDBCKDENHXUOD-KBXCAEBGSA-N 2 0 281.403 2.836 20 0 CFADRP CC(C)c1ncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414972139 381667420 /nfs/dbraw/zinc/66/74/20/381667420.db2.gz MDLDHJPRFIVRHX-GFCCVEGCSA-N 2 0 267.442 2.888 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414975110 381669411 /nfs/dbraw/zinc/66/94/11/381669411.db2.gz OHVRMMOWTHHKJG-GDBMZVCRSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348696088 381670614 /nfs/dbraw/zinc/67/06/14/381670614.db2.gz LEOQVDOMHIHJNN-PSEORLGDSA-N 2 0 264.335 2.646 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414977328 381671053 /nfs/dbraw/zinc/67/10/53/381671053.db2.gz RGMKUMRDOHRVTL-CQSZACIVSA-N 2 0 250.361 2.756 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000414958698 381651274 /nfs/dbraw/zinc/65/12/74/381651274.db2.gz RPZQDEOEXLKQQX-WMLDXEAASA-N 2 0 294.414 2.505 20 0 CFADRP Cn1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)n1 ZINC000415014447 381708218 /nfs/dbraw/zinc/70/82/18/381708218.db2.gz ZQGPYAWRSXYKJD-YOEHRIQHSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@@H](C[NH2+]C(C)(C)CCC[NH3+])CC1CCOCC1 ZINC000415014221 381708345 /nfs/dbraw/zinc/70/83/45/381708345.db2.gz LQWMOPUSNCVZMR-CYBMUJFWSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])CC1CCOCC1 ZINC000415014543 381708631 /nfs/dbraw/zinc/70/86/31/381708631.db2.gz MOXSSRDIJVOZQZ-KBPBESRZSA-N 2 0 256.434 2.546 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371840394 381709925 /nfs/dbraw/zinc/70/99/25/381709925.db2.gz HPNIBICTTZRDGI-ROUUACIJSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000415015339 381709936 /nfs/dbraw/zinc/70/99/36/381709936.db2.gz YIJNAQXLIQKESJ-OAUYIBNBSA-N 2 0 276.399 2.907 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H](C)CCC[NH3+])s1 ZINC000415015916 381710453 /nfs/dbraw/zinc/71/04/53/381710453.db2.gz BNSZSUXABHTPPM-LLVKDONJSA-N 2 0 255.431 2.559 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415016934 381711217 /nfs/dbraw/zinc/71/12/17/381711217.db2.gz QUBIYBRTKRPFSD-ZDUSSCGKSA-N 2 0 250.386 2.692 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])c(SC)cc1OC ZINC000415020091 381715038 /nfs/dbraw/zinc/71/50/38/381715038.db2.gz IYENVKHDYSAFGT-NSHDSACASA-N 2 0 298.452 2.643 20 0 CFADRP COc1cc2c(c(C[NH2+][C@@H](C)CCCC[NH3+])c1)O[C@@H](C)C2 ZINC000415020352 381715286 /nfs/dbraw/zinc/71/52/86/381715286.db2.gz XGUYTKQNUZFYQG-STQMWFEESA-N 2 0 292.423 2.626 20 0 CFADRP CC[C@@H](C[NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000414981275 381674878 /nfs/dbraw/zinc/67/48/78/381674878.db2.gz WXAAFGXBDXOCMD-INIZCTEOSA-N 2 0 290.451 2.786 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CC=CCC1 ZINC000355213979 381682145 /nfs/dbraw/zinc/68/21/45/381682145.db2.gz RYCQPPRWAISQQJ-VQHPVUNQSA-N 2 0 278.440 2.526 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000414988319 381683313 /nfs/dbraw/zinc/68/33/13/381683313.db2.gz FRSSOBLCAKKBPP-JQWIXIFHSA-N 2 0 254.324 2.572 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414991855 381685519 /nfs/dbraw/zinc/68/55/19/381685519.db2.gz JZOMAAQANKVRBG-NVXWUHKLSA-N 2 0 298.434 2.788 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414998518 381689011 /nfs/dbraw/zinc/68/90/11/381689011.db2.gz IBXHSNWTBSYFNE-DOMZBBRYSA-N 2 0 250.361 2.741 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415001994 381694199 /nfs/dbraw/zinc/69/41/99/381694199.db2.gz DCVRSLZSDDFENJ-LSDHHAIUSA-N 2 0 293.480 2.819 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415003319 381697194 /nfs/dbraw/zinc/69/71/94/381697194.db2.gz FSZLXHQSYLRBEE-DLBZAZTESA-N 2 0 299.393 2.852 20 0 CFADRP CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415005550 381697826 /nfs/dbraw/zinc/69/78/26/381697826.db2.gz ZLDBKGZDKAVNML-ZFWWWQNUSA-N 2 0 262.397 2.692 20 0 CFADRP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415005548 381698428 /nfs/dbraw/zinc/69/84/28/381698428.db2.gz ZLDBKGZDKAVNML-UKRRQHHQSA-N 2 0 262.397 2.692 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000415005157 381698492 /nfs/dbraw/zinc/69/84/92/381698492.db2.gz PCGMCLWASUKXNX-IAOVAPTHSA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415007800 381700301 /nfs/dbraw/zinc/70/03/01/381700301.db2.gz RPRVTKQAQYCKCT-NFAWXSAZSA-N 2 0 264.388 2.864 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415023794 381717260 /nfs/dbraw/zinc/71/72/60/381717260.db2.gz NQBPRRAMOXMLLU-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371791591 381701955 /nfs/dbraw/zinc/70/19/55/381701955.db2.gz AKUMXCBYDAUZKU-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000415009479 381702325 /nfs/dbraw/zinc/70/23/25/381702325.db2.gz UDKXLVAHXNWJAH-RKDXNWHRSA-N 2 0 293.358 2.769 20 0 CFADRP C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682104 381704033 /nfs/dbraw/zinc/70/40/33/381704033.db2.gz WNAUMDMGTKQLIU-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359969386 381704036 /nfs/dbraw/zinc/70/40/36/381704036.db2.gz HKSNPBKJSGDSJS-PBHICJAKSA-N 2 0 270.420 2.834 20 0 CFADRP COc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415012419 381706138 /nfs/dbraw/zinc/70/61/38/381706138.db2.gz XDADBCCFKISVJB-IIAWOOMASA-N 2 0 276.424 2.906 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC2(CCOCC2)CC1 ZINC000415011763 381706323 /nfs/dbraw/zinc/70/63/23/381706323.db2.gz IGDRWWNAZBCKSU-CQSZACIVSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012995 381706847 /nfs/dbraw/zinc/70/68/47/381706847.db2.gz UFBSWRXLFPJABD-ADEWGFFLSA-N 2 0 264.335 2.695 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000415011706 381706860 /nfs/dbraw/zinc/70/68/60/381706860.db2.gz HYAYXPOUICGKRG-CQSZACIVSA-N 2 0 286.423 2.992 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012996 381706991 /nfs/dbraw/zinc/70/69/91/381706991.db2.gz UFBSWRXLFPJABD-ZMLRMANQSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000415014590 381707795 /nfs/dbraw/zinc/70/77/95/381707795.db2.gz MUKFFYUGSJGTLB-GFCCVEGCSA-N 2 0 290.436 2.812 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000415039359 381727909 /nfs/dbraw/zinc/72/79/09/381727909.db2.gz NYBZEVHTVBJYPO-KGLIPLIRSA-N 2 0 291.414 2.643 20 0 CFADRP C[C@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767589 381728912 /nfs/dbraw/zinc/72/89/12/381728912.db2.gz OHPPBOMIUOJRHI-DOTOQJQBSA-N 2 0 287.451 2.867 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000415040672 381729249 /nfs/dbraw/zinc/72/92/49/381729249.db2.gz PCDYUAAEIVHREX-HIFRSBDPSA-N 2 0 292.423 2.701 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000415041548 381730495 /nfs/dbraw/zinc/73/04/95/381730495.db2.gz PYZRSWXOCMNVRU-NOZJJQNGSA-N 2 0 256.752 2.696 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415042353 381730855 /nfs/dbraw/zinc/73/08/55/381730855.db2.gz QPOJNBMRGDVJRH-HIFRSBDPSA-N 2 0 262.397 2.692 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415044484 381732247 /nfs/dbraw/zinc/73/22/47/381732247.db2.gz SSWIGCFZHCVCGC-VXGBXAGGSA-N 2 0 267.442 2.559 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CC1 ZINC000360025424 381735013 /nfs/dbraw/zinc/73/50/13/381735013.db2.gz YHGXAQAJUULYBG-HNNXBMFYSA-N 3 0 293.499 2.571 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000415049636 381735961 /nfs/dbraw/zinc/73/59/61/381735961.db2.gz DUXWBANJOLHDGK-XJKCOSOUSA-N 2 0 264.388 2.846 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415050876 381736018 /nfs/dbraw/zinc/73/60/18/381736018.db2.gz DKWRHWDZVLNCJU-CXAGYDPISA-N 2 0 292.423 2.511 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059377 381745218 /nfs/dbraw/zinc/74/52/18/381745218.db2.gz WUFGLQIWNNZGJI-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP CCCC(CCC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060703 381747434 /nfs/dbraw/zinc/74/74/34/381747434.db2.gz XINXDOMZAWNTGT-UHFFFAOYSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000415066667 381751347 /nfs/dbraw/zinc/75/13/47/381751347.db2.gz BCEMXKZLYIRTLH-IUODEOHRSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CCC[NH2+]C1CC1 ZINC000415069550 381754746 /nfs/dbraw/zinc/75/47/46/381754746.db2.gz OYMUPUAVHOPNLH-LBPRGKRZSA-N 2 0 252.427 2.801 20 0 CFADRP FC(F)Oc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415071347 381757111 /nfs/dbraw/zinc/75/71/11/381757111.db2.gz SPPGSTZJQGOYGH-UHFFFAOYSA-N 2 0 270.323 2.520 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415025990 381718293 /nfs/dbraw/zinc/71/82/93/381718293.db2.gz SJAKWWMNSDKYRP-VYDXJSESSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccccc1F ZINC000415025812 381718303 /nfs/dbraw/zinc/71/83/03/381718303.db2.gz RTPVGFDHFBKAMK-CHWSQXEVSA-N 2 0 252.377 2.864 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415024983 381718596 /nfs/dbraw/zinc/71/85/96/381718596.db2.gz OPGWAWKNSDFCCO-FPCVCCKLSA-N 2 0 268.445 2.545 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1Cl ZINC000415027114 381719461 /nfs/dbraw/zinc/71/94/61/381719461.db2.gz WCBPIWMYHCYGFC-SNVBAGLBSA-N 2 0 256.777 2.566 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000415026958 381719844 /nfs/dbraw/zinc/71/98/44/381719844.db2.gz AFQLINHVCULSFN-ONGXEEELSA-N 2 0 256.752 2.696 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C/C=C\c1ccc(F)cc1F ZINC000415027675 381720335 /nfs/dbraw/zinc/72/03/35/381720335.db2.gz XBSYHNBPOALTEH-USEMIUTHSA-N 2 0 254.324 2.695 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000415027532 381720351 /nfs/dbraw/zinc/72/03/51/381720351.db2.gz BAOKZROUTRYHKF-WCQYABFASA-N 2 0 252.789 2.865 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000415029588 381721374 /nfs/dbraw/zinc/72/13/74/381721374.db2.gz DYMGNSXZQKYPLC-MWLCHTKSSA-N 2 0 256.752 2.696 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415028425 381721955 /nfs/dbraw/zinc/72/19/55/381721955.db2.gz CUHZOCWLHXDNER-CVEARBPZSA-N 2 0 298.434 2.706 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415031109 381723026 /nfs/dbraw/zinc/72/30/26/381723026.db2.gz GKROLXYOVFBPLB-GHMZBOCLSA-N 2 0 267.442 2.658 20 0 CFADRP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035318 381724962 /nfs/dbraw/zinc/72/49/62/381724962.db2.gz KLGLMBUOPYLBFF-MWDXBVQZSA-N 2 0 258.409 2.595 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415036047 381725236 /nfs/dbraw/zinc/72/52/36/381725236.db2.gz LDXYEAPEZAFPIO-CABCVRRESA-N 2 0 262.397 2.691 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2cccc3c2CCCN3)CC[NH2+]1 ZINC000415034020 381725395 /nfs/dbraw/zinc/72/53/95/381725395.db2.gz KPQUTOQUMAMGTR-UONOGXRCSA-N 2 0 273.424 2.522 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1F ZINC000415037382 381726188 /nfs/dbraw/zinc/72/61/88/381726188.db2.gz KZVSSEKXBOSKPX-WBMJQRKESA-N 2 0 294.414 2.743 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415037354 381726326 /nfs/dbraw/zinc/72/63/26/381726326.db2.gz MDVYYRCXQNLMNS-ZYHUDNBSSA-N 2 0 298.814 2.574 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000415036587 381726466 /nfs/dbraw/zinc/72/64/66/381726466.db2.gz LPVNJQBXFMMKSY-GXSJLCMTSA-N 2 0 256.752 2.696 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415100784 381781478 /nfs/dbraw/zinc/78/14/78/381781478.db2.gz ALAONWYXGTZGME-YOFOWSBGSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415117516 381791030 /nfs/dbraw/zinc/79/10/30/381791030.db2.gz VMRCLJWDFWVGGO-WCQYABFASA-N 2 0 268.351 2.800 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)CCCc1cccnc1 ZINC000415117973 381791194 /nfs/dbraw/zinc/79/11/94/381791194.db2.gz XPZVBTPVEGFASW-GDBMZVCRSA-N 2 0 263.429 2.756 20 0 CFADRP CCC[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415125797 381794987 /nfs/dbraw/zinc/79/49/87/381794987.db2.gz FKEAHZXXJCBLQI-MRXNPFEDSA-N 2 0 289.467 2.758 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H]1CC=CCC1 ZINC000349022681 381795543 /nfs/dbraw/zinc/79/55/43/381795543.db2.gz DFXVMMOMXBJZNA-MSOLQXFVSA-N 2 0 293.499 2.691 20 0 CFADRP Cc1ccc(NC[C@@H]2CC[NH2+][C@H](C)C2)c(C[NH+](C)C)c1 ZINC000415128003 381796409 /nfs/dbraw/zinc/79/64/09/381796409.db2.gz WZWJVGIGUYXUOF-HUUCEWRRSA-N 2 0 275.440 2.857 20 0 CFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415074727 381761871 /nfs/dbraw/zinc/76/18/71/381761871.db2.gz AQWUFWJHOJVVBF-BZUAXINKSA-N 2 0 298.434 2.547 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000415074752 381761895 /nfs/dbraw/zinc/76/18/95/381761895.db2.gz ASPDTAMWFSYUAX-IXDOHACOSA-N 2 0 287.451 2.633 20 0 CFADRP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000415076953 381762693 /nfs/dbraw/zinc/76/26/93/381762693.db2.gz DBDCVBSKQSIBNA-ZIAGYGMSSA-N 2 0 270.461 2.805 20 0 CFADRP COc1cccc(C2(C[NH2+]C3CC[NH2+]CC3)CCCC2)c1 ZINC000415082216 381767326 /nfs/dbraw/zinc/76/73/26/381767326.db2.gz CSRYAAXFNOVYQY-UHFFFAOYSA-N 2 0 288.435 2.849 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CCCc2cccc(F)c2)CC[NH2+]1 ZINC000415084225 381768917 /nfs/dbraw/zinc/76/89/17/381768917.db2.gz GHDUSDNSGPLRLS-ZFWWWQNUSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1F ZINC000415083761 381769861 /nfs/dbraw/zinc/76/98/61/381769861.db2.gz NRTDMKXLRCJZKS-UHFFFAOYSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CCCc2cccc(F)c2)CC[NH2+]1 ZINC000415084223 381769891 /nfs/dbraw/zinc/76/98/91/381769891.db2.gz GHDUSDNSGPLRLS-HIFRSBDPSA-N 2 0 264.388 2.736 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415089559 381775553 /nfs/dbraw/zinc/77/55/53/381775553.db2.gz YWOBMPCCPNJTNI-FRRDWIJNSA-N 2 0 280.387 2.873 20 0 CFADRP CC(C)(C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccccc1F ZINC000415089936 381775838 /nfs/dbraw/zinc/77/58/38/381775838.db2.gz ZIRATZMFGPLLLG-INIZCTEOSA-N 2 0 264.388 2.693 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000415090875 381777689 /nfs/dbraw/zinc/77/76/89/381777689.db2.gz PNYIVTASEXKLNE-AGIUHOORSA-N 2 0 280.387 2.873 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415093608 381778645 /nfs/dbraw/zinc/77/86/45/381778645.db2.gz VWVPSRFOXIUCHW-HZSPNIEDSA-N 2 0 262.397 2.734 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415093587 381779112 /nfs/dbraw/zinc/77/91/12/381779112.db2.gz VUXCEBMDTOHBKC-ZENOOKHLSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415093610 381779623 /nfs/dbraw/zinc/77/96/23/381779623.db2.gz VWVPSRFOXIUCHW-MELADBBJSA-N 2 0 262.397 2.734 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000415094464 381779983 /nfs/dbraw/zinc/77/99/83/381779983.db2.gz XOSOGQDSDOUKQB-JKSUJKDBSA-N 2 0 260.425 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@@H]1CCC[NH2+]C1 ZINC000415098502 381780972 /nfs/dbraw/zinc/78/09/72/381780972.db2.gz FJJNDKDUNXSKSQ-HWWQOWPSSA-N 2 0 262.372 2.791 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C\c3ccncc3)C2)CC1 ZINC000349181825 381839851 /nfs/dbraw/zinc/83/98/51/381839851.db2.gz FMRAXZUYLHEGNH-KVLZDYKBSA-N 2 0 285.435 2.759 20 0 CFADRP C[NH2+]CCCN(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000415133098 381801930 /nfs/dbraw/zinc/80/19/30/381801930.db2.gz MNOVCWJRBNHUDH-UHFFFAOYSA-N 2 0 291.483 2.686 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000349058929 381807581 /nfs/dbraw/zinc/80/75/81/381807581.db2.gz AJYUUPCJRIABQK-SFHVURJKSA-N 2 0 289.467 2.535 20 0 CFADRP CC[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)[C@@H]1CCOC1 ZINC000361219805 381810162 /nfs/dbraw/zinc/81/01/62/381810162.db2.gz GSWYPSZIIFVYMC-FPCVCCKLSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356888916 381887561 /nfs/dbraw/zinc/88/75/61/381887561.db2.gz ZLAOFILHZPIZRH-SJORKVTESA-N 2 0 294.483 2.780 20 0 CFADRP c1coc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000372901327 381886635 /nfs/dbraw/zinc/88/66/35/381886635.db2.gz HKOIXKCXOQRNQV-OAHLLOKOSA-N 2 0 262.397 2.945 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCOC1 ZINC000356831798 381868998 /nfs/dbraw/zinc/86/89/98/381868998.db2.gz AZVMAPAMQFBRDG-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000356905796 381898879 /nfs/dbraw/zinc/89/88/79/381898879.db2.gz VNBZFQCQPOTSQX-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)C2CCN(CC)CC2)CCO1 ZINC000356934203 381911494 /nfs/dbraw/zinc/91/14/94/381911494.db2.gz YKSUPUIIMHBCCX-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)C[C@H](C)CC1CCOCC1 ZINC000349370842 381914511 /nfs/dbraw/zinc/91/45/11/381914511.db2.gz SODQRPHUMOJLNM-OAHLLOKOSA-N 2 0 270.461 2.713 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000186593398 381958992 /nfs/dbraw/zinc/95/89/92/381958992.db2.gz XXYUAMWNNUQEAD-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186597924 381960021 /nfs/dbraw/zinc/96/00/21/381960021.db2.gz CDJMLUHFEFJZQV-DLBZAZTESA-N 2 0 283.504 2.817 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186605200 381961860 /nfs/dbraw/zinc/96/18/60/381961860.db2.gz OEPJMIDOZAEYLC-DZGCQCFKSA-N 2 0 295.496 2.733 20 0 CFADRP C1CCC2(C1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@H]1CCO[C@H]12 ZINC000373293645 381971305 /nfs/dbraw/zinc/97/13/05/381971305.db2.gz OFWPLUCRMIPAEY-MZBWOGCUSA-N 2 0 290.451 2.551 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CC[C@H](C)C1 ZINC000362171453 381942078 /nfs/dbraw/zinc/94/20/78/381942078.db2.gz YAZNMOMYFBPATP-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)CCO1 ZINC000356989099 381945476 /nfs/dbraw/zinc/94/54/76/381945476.db2.gz KXUAIIXXJSLBGS-VVLHAWIVSA-N 2 0 282.472 2.996 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC[C@@H](O)c3ccccc3)C2)C1 ZINC000293009330 381946943 /nfs/dbraw/zinc/94/69/43/381946943.db2.gz PPASCRISLURECH-MSOLQXFVSA-N 2 0 288.435 2.528 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000186573839 381952108 /nfs/dbraw/zinc/95/21/08/381952108.db2.gz YDIYJUYRBOHMBA-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCCCC1 ZINC000186572883 381952500 /nfs/dbraw/zinc/95/25/00/381952500.db2.gz ZIWSDDQHZUCCQD-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCC(C)(C)O)CC1)CC1CC1 ZINC000357070776 381997744 /nfs/dbraw/zinc/99/77/44/381997744.db2.gz BJBICFKFFMUNAH-UHFFFAOYSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCOCC[NH3+] ZINC000357084190 382003693 /nfs/dbraw/zinc/00/36/93/382003693.db2.gz ZGBSZZRNMMTRBM-CHWSQXEVSA-N 2 0 284.831 2.739 20 0 CFADRP C[C@@H]1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000373468735 382010252 /nfs/dbraw/zinc/01/02/52/382010252.db2.gz WEBOPKVAPRSTRN-KCNJBTMXSA-N 2 0 266.429 2.549 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc2cccnc12 ZINC000357110554 382012307 /nfs/dbraw/zinc/01/23/07/382012307.db2.gz ZJODDJNUZZOGHU-SJORKVTESA-N 2 0 281.403 2.585 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000186789086 382014460 /nfs/dbraw/zinc/01/44/60/382014460.db2.gz LDPHHHRJJALKSA-VDHUWJSZSA-N 2 0 294.483 2.923 20 0 CFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000417332464 382043192 /nfs/dbraw/zinc/04/31/92/382043192.db2.gz NXCDFIVQKPHYFZ-CVEARBPZSA-N 2 0 295.515 2.817 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)[C@@H](C)C1 ZINC000417332266 382043504 /nfs/dbraw/zinc/04/35/04/382043504.db2.gz DARKXXKGMGXBIM-JYJNAYRXSA-N 2 0 280.456 2.513 20 0 CFADRP COC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357231992 382069230 /nfs/dbraw/zinc/06/92/30/382069230.db2.gz MBKVJZPKSINLGC-RDJZCZTQSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)C[NH+](C)C ZINC000293262532 382051630 /nfs/dbraw/zinc/05/16/30/382051630.db2.gz CBWMXDNQWNCHNV-GJZGRUSLSA-N 2 0 286.423 2.721 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC([NH+]2CCCCC2)CC1 ZINC000351685210 382054971 /nfs/dbraw/zinc/05/49/71/382054971.db2.gz MKTSUGACPRPRHC-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000351771764 382061440 /nfs/dbraw/zinc/06/14/40/382061440.db2.gz GSOATHPMCQMKJG-CALCHBBNSA-N 3 0 281.488 2.667 20 0 CFADRP COc1ccc([C@H](C)NC[C@H](C)C[NH+](C)C)c(OC)c1 ZINC000293297441 382067873 /nfs/dbraw/zinc/06/78/73/382067873.db2.gz DOKJVNDMRMIHQW-STQMWFEESA-N 2 0 280.412 2.552 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000362381718 382038593 /nfs/dbraw/zinc/03/85/93/382038593.db2.gz CTZOSYWYLLZSEK-CVEARBPZSA-N 2 0 288.435 2.826 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000293231222 382040406 /nfs/dbraw/zinc/04/04/06/382040406.db2.gz AVINMQFTZZULKE-CJNGLKHVSA-N 2 0 276.424 2.860 20 0 CFADRP Cc1[nH+]ccc(NC[C@H](c2ccco2)[NH+](C)C)c1Cl ZINC000357321050 382105006 /nfs/dbraw/zinc/10/50/06/382105006.db2.gz FHILNHDPYRDXGA-GFCCVEGCSA-N 2 0 279.771 2.773 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000187164579 382116564 /nfs/dbraw/zinc/11/65/64/382116564.db2.gz XMYGSJPQKUURCV-IAGOWNOFSA-N 2 0 282.472 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)[C@H](C)C1 ZINC000344115118 382137078 /nfs/dbraw/zinc/13/70/78/382137078.db2.gz QODWNYXZHMYTAI-IWCQGFGOSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000352041357 382145236 /nfs/dbraw/zinc/14/52/36/382145236.db2.gz XIDFAPJSYGCHQS-FZKCQIBNSA-N 2 0 268.445 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)[C@H](C)C1 ZINC000352067846 382157893 /nfs/dbraw/zinc/15/78/93/382157893.db2.gz FQBSZUOSSCLMGL-NCOADZHNSA-N 2 0 282.472 2.758 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]cc2-c2cccnc2)C1 ZINC000376771339 382172483 /nfs/dbraw/zinc/17/24/83/382172483.db2.gz GQKDAZBFNKUZEV-CVEARBPZSA-N 2 0 296.418 2.850 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)COC1 ZINC000344212714 382202085 /nfs/dbraw/zinc/20/20/85/382202085.db2.gz MKNDEVUOLOWNOC-NVXWUHKLSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000362862930 382220781 /nfs/dbraw/zinc/22/07/81/382220781.db2.gz SQVSUZZCSHQXTN-CQSZACIVSA-N 2 0 267.376 2.909 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC000344199023 382194320 /nfs/dbraw/zinc/19/43/20/382194320.db2.gz DJKJEGBKKHXWPZ-UHFFFAOYSA-N 2 0 296.499 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(C)C)OC)C[C@@H]1C ZINC000419215126 382247029 /nfs/dbraw/zinc/24/70/29/382247029.db2.gz LKLXIUSADJFDGV-HRCADAONSA-N 2 0 270.461 2.852 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000419224603 382251208 /nfs/dbraw/zinc/25/12/08/382251208.db2.gz ZPPPCWBFVXVNRP-IRXDYDNUSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C ZINC000364057649 382254362 /nfs/dbraw/zinc/25/43/62/382254362.db2.gz OCDOTOIUZBYLKG-IAGOWNOFSA-N 2 0 290.455 2.530 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(OC)c1 ZINC000344292412 382254673 /nfs/dbraw/zinc/25/46/73/382254673.db2.gz OVWRZCOTTCQMDP-QGZVFWFLSA-N 2 0 274.408 2.998 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000352273525 382257422 /nfs/dbraw/zinc/25/74/22/382257422.db2.gz NVYQWNKTMVXTGR-GDBMZVCRSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C1CCN(CCO)CC1 ZINC000357645980 382263477 /nfs/dbraw/zinc/26/34/77/382263477.db2.gz GYQYMRAZKBADOB-CYBMUJFWSA-N 2 0 296.842 2.790 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C[NH+](C)C ZINC000293765697 382269519 /nfs/dbraw/zinc/26/95/19/382269519.db2.gz SKHBTHJLKBAZQS-GJZGRUSLSA-N 2 0 286.423 2.721 20 0 CFADRP Cc1cc(N2CC[NH+](CCC(C)(C)C)CC2)cc[nH+]1 ZINC000302582218 382272502 /nfs/dbraw/zinc/27/25/02/382272502.db2.gz SWTVNHDTKPCBOB-UHFFFAOYSA-N 2 0 261.413 2.948 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OC2CCC2)CC1 ZINC000419292789 382275324 /nfs/dbraw/zinc/27/53/24/382275324.db2.gz ZPGJPYGAYOYFRC-HNNXBMFYSA-N 2 0 280.456 2.894 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnccc2C)C1 ZINC000357787579 382322242 /nfs/dbraw/zinc/32/22/42/382322242.db2.gz ZCHHUAODLODVJG-HUUCEWRRSA-N 2 0 261.413 2.773 20 0 CFADRP Cc1ccc(C[C@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420294577 382345294 /nfs/dbraw/zinc/34/52/94/382345294.db2.gz BHHTXGLIMLSGKK-RDJZCZTQSA-N 2 0 260.425 2.857 20 0 CFADRP C[N@H+](C[C@H]1CCSC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377702847 382325513 /nfs/dbraw/zinc/32/55/13/382325513.db2.gz PCVCFHXGCHHFDD-CQSZACIVSA-N 2 0 291.464 2.735 20 0 CFADRP Cn1cccc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377706734 382327194 /nfs/dbraw/zinc/32/71/94/382327194.db2.gz VPQUXBCHGQNKDA-UHFFFAOYSA-N 2 0 284.407 2.521 20 0 CFADRP Cc1sccc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000293912843 382333102 /nfs/dbraw/zinc/33/31/02/382333102.db2.gz LVZKQSBBGBLMDQ-FZMZJTMJSA-N 2 0 252.427 2.829 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420253442 382337751 /nfs/dbraw/zinc/33/77/51/382337751.db2.gz DPBQZKWMAMAAIY-LSDHHAIUSA-N 2 0 281.403 2.843 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CCO)CC3)CC2)C1 ZINC000188076988 382340271 /nfs/dbraw/zinc/34/02/71/382340271.db2.gz WBHLULDMRYPVQS-RDJZCZTQSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)[NH+]1CCC(NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000357828850 382340473 /nfs/dbraw/zinc/34/04/73/382340473.db2.gz ATWCKWHWPNMPAN-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420294609 382346280 /nfs/dbraw/zinc/34/62/80/382346280.db2.gz BKCVULJWGAUUKY-NJAFHUGGSA-N 2 0 272.436 2.939 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000377586294 382296943 /nfs/dbraw/zinc/29/69/43/382296943.db2.gz UDYVCJRRLLAOOJ-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP Fc1ccc(C[C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420298624 382349277 /nfs/dbraw/zinc/34/92/77/382349277.db2.gz FKXOPMKXOMVGTN-DOTOQJQBSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](c2ccsc2)O1 ZINC000420301611 382351770 /nfs/dbraw/zinc/35/17/70/382351770.db2.gz LQMGYGKLJOWXCQ-NFAWXSAZSA-N 2 0 280.437 2.510 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420300442 382351795 /nfs/dbraw/zinc/35/17/95/382351795.db2.gz HKHPABFJNOYBBC-NEPJUHHUSA-N 2 0 268.351 2.957 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]21 ZINC000420301944 382352388 /nfs/dbraw/zinc/35/23/88/382352388.db2.gz FMETVZSYSLUMPM-SDDRHHMPSA-N 2 0 264.335 2.778 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC000420302657 382354098 /nfs/dbraw/zinc/35/40/98/382354098.db2.gz GIMDCCNNTZYNGJ-DLBZAZTESA-N 2 0 274.383 2.889 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000357862522 382354784 /nfs/dbraw/zinc/35/47/84/382354784.db2.gz YNUHSJNCWHEOEF-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP Fc1ccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420305832 382355798 /nfs/dbraw/zinc/35/57/98/382355798.db2.gz QBBLZOGVAGTVQJ-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP CC1CCN(C(=[NH2+])NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000303268184 382356064 /nfs/dbraw/zinc/35/60/64/382356064.db2.gz YKLRXBKVGDCYAL-HNNXBMFYSA-N 2 0 280.460 2.507 20 0 CFADRP COc1ccccc1CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420304984 382356568 /nfs/dbraw/zinc/35/65/68/382356568.db2.gz PCOINZDXKCPEDL-OAHLLOKOSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc(N[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420309664 382357980 /nfs/dbraw/zinc/35/79/80/382357980.db2.gz DXUMTMPTBVOERD-NVXWUHKLSA-N 2 0 273.424 2.563 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)CCSC)cc1 ZINC000420307592 382358341 /nfs/dbraw/zinc/35/83/41/382358341.db2.gz RMOMFYHADWHYPJ-DZGCQCFKSA-N 2 0 296.480 2.811 20 0 CFADRP Cc1csc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420311337 382360181 /nfs/dbraw/zinc/36/01/81/382360181.db2.gz GYFJCDUWJDZCNC-KBPBESRZSA-N 2 0 279.453 2.631 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420312457 382360454 /nfs/dbraw/zinc/36/04/54/382360454.db2.gz IQSKKEAMAMZDKU-CQSZACIVSA-N 2 0 250.411 2.579 20 0 CFADRP Cc1nc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)sc1C ZINC000420310884 382360613 /nfs/dbraw/zinc/36/06/13/382360613.db2.gz GGOMLPHPXKBLBK-LSDHHAIUSA-N 2 0 293.480 2.939 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000420315065 382362806 /nfs/dbraw/zinc/36/28/06/382362806.db2.gz ZNSGECJNIWFALO-CKEIUWERSA-N 2 0 292.398 2.587 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420314446 382362867 /nfs/dbraw/zinc/36/28/67/382362867.db2.gz KXJABQSHRANGSR-INIZCTEOSA-N 2 0 276.424 2.831 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420317540 382364405 /nfs/dbraw/zinc/36/44/05/382364405.db2.gz VAALJAYPTMGTQI-NSHDSACASA-N 2 0 287.329 2.661 20 0 CFADRP COC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000346442701 382364689 /nfs/dbraw/zinc/36/46/89/382364689.db2.gz GKDRMAVULCXPOS-ZBFHGGJFSA-N 2 0 280.456 2.750 20 0 CFADRP COc1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420317096 382365303 /nfs/dbraw/zinc/36/53/03/382365303.db2.gz NBURZLPKTCKSOS-AWEZNQCLSA-N 2 0 274.408 2.659 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420320231 382367092 /nfs/dbraw/zinc/36/70/92/382367092.db2.gz YPJZAJXRTDLGTN-LBPRGKRZSA-N 2 0 282.815 2.909 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(C)C ZINC000420319244 382367165 /nfs/dbraw/zinc/36/71/65/382367165.db2.gz OZGMTHQXQDBNOO-HUUCEWRRSA-N 2 0 261.413 2.676 20 0 CFADRP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000420325302 382369183 /nfs/dbraw/zinc/36/91/83/382369183.db2.gz CVOIGZVEWNBDCT-UHFFFAOYSA-N 2 0 288.313 2.506 20 0 CFADRP CC(C)CCOC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420322194 382369440 /nfs/dbraw/zinc/36/94/40/382369440.db2.gz SDZJTOHVLJGMTA-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP Fc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420326830 382371149 /nfs/dbraw/zinc/37/11/49/382371149.db2.gz XVRPPZBNKQZRQB-CJNGLKHVSA-N 2 0 262.372 2.962 20 0 CFADRP C[NH+](C)CC(C)(C)CNCc1cccc(O)c1Cl ZINC000294002157 382374256 /nfs/dbraw/zinc/37/42/56/382374256.db2.gz GDWFMAUBJPFXMK-UHFFFAOYSA-N 2 0 270.804 2.723 20 0 CFADRP CCc1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420343833 382376636 /nfs/dbraw/zinc/37/66/36/382376636.db2.gz RTPJRFPLZXBSMT-CALCHBBNSA-N 2 0 288.435 2.559 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346472992 382376718 /nfs/dbraw/zinc/37/67/18/382376718.db2.gz YZKURPFTSWLKHV-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCO1 ZINC000346471895 382377126 /nfs/dbraw/zinc/37/71/26/382377126.db2.gz DNUBWQKWFNZVPO-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420362589 382383728 /nfs/dbraw/zinc/38/37/28/382383728.db2.gz AXDFWMJJMHOAHJ-NEPJUHHUSA-N 2 0 252.789 2.990 20 0 CFADRP Fc1ccc(/C=C\CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352540267 382385728 /nfs/dbraw/zinc/38/57/28/382385728.db2.gz IYGIWXWTYSGOMW-MPXGXIRNSA-N 2 0 274.383 2.914 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000449579921 296329405 /nfs/dbraw/zinc/32/94/05/296329405.db2.gz LAKOOIFIMVDXBL-WBVHZDCISA-N 2 0 294.483 2.782 20 0 CFADRP Clc1ccccc1O[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420365723 382387864 /nfs/dbraw/zinc/38/78/64/382387864.db2.gz FHKAEMQNUCEKOO-ZIAGYGMSSA-N 2 0 294.826 2.793 20 0 CFADRP CC[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)N1CCCC1 ZINC000352567088 382398294 /nfs/dbraw/zinc/39/82/94/382398294.db2.gz HMOAVNRUFGLPTA-SLTAFYQDSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000420370016 382391209 /nfs/dbraw/zinc/39/12/09/382391209.db2.gz JINKCOVBWILDFS-NWDGAFQWSA-N 2 0 252.789 2.990 20 0 CFADRP Fc1cccc(F)c1C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420376301 382392972 /nfs/dbraw/zinc/39/29/72/382392972.db2.gz QHHOTTIBOBXNDX-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000420374685 382393013 /nfs/dbraw/zinc/39/30/13/382393013.db2.gz OJLBTFWEQWBQHQ-DGCLKSJQSA-N 2 0 284.350 2.938 20 0 CFADRP Cn1cc(CN2CCC[C@@H]([NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000365473021 382398552 /nfs/dbraw/zinc/39/85/52/382398552.db2.gz ZNCOAGUWNHLSLP-OAHLLOKOSA-N 2 0 292.471 2.634 20 0 CFADRP CCc1ccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420379862 382394218 /nfs/dbraw/zinc/39/42/18/382394218.db2.gz VYHKVQGXBLGBFC-AEFFLSMTSA-N 2 0 288.435 2.622 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000377799533 382347546 /nfs/dbraw/zinc/34/75/46/382347546.db2.gz VUHNBFVWCLYIFC-HPBDAGMYSA-N 2 0 288.435 2.979 20 0 CFADRP CCN1CCC[C@@H](C[N@H+](C)C2CCC2)[C@@H]1c1cnn(C)c1 ZINC000365741084 382435234 /nfs/dbraw/zinc/43/52/34/382435234.db2.gz YXGXCVGXBZYPQA-WMLDXEAASA-N 2 0 290.455 2.677 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000358068200 382437253 /nfs/dbraw/zinc/43/72/53/382437253.db2.gz YTSCLLVVKYLDGC-QAPCUYQASA-N 2 0 289.467 2.567 20 0 CFADRP Oc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000294154698 382437731 /nfs/dbraw/zinc/43/77/31/382437731.db2.gz HVYLKPZQGTXKCC-UHFFFAOYSA-N 2 0 297.402 2.588 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(O)CCC(C)CC2)[C@H](C)C1 ZINC000305264669 382438495 /nfs/dbraw/zinc/43/84/95/382438495.db2.gz YOCOWVSVAXRJPY-JCCCHCCOSA-N 2 0 282.472 2.590 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000358084189 382443452 /nfs/dbraw/zinc/44/34/52/382443452.db2.gz LVQVEEFGXZTMAO-XJKSGUPXSA-N 2 0 271.408 2.640 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1nc(C2CC2)no1 ZINC000420414055 382402855 /nfs/dbraw/zinc/40/28/55/382402855.db2.gz UFQSSUBVYFZXMO-OCCSQVGLSA-N 2 0 292.427 2.623 20 0 CFADRP C[C@H]1CC[N@H+](CCCc2ccsc2)C[C@H]1C[NH3+] ZINC000420413741 382403112 /nfs/dbraw/zinc/40/31/12/382403112.db2.gz SXMLGBYHBALWEF-GXTWGEPZSA-N 2 0 252.427 2.597 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000346634737 382446560 /nfs/dbraw/zinc/44/65/60/382446560.db2.gz GLHAKOMAQQQSQD-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)[C@@H](C)C1 ZINC000358017037 382410439 /nfs/dbraw/zinc/41/04/39/382410439.db2.gz NYNCRDYICMZHPP-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000346639266 382449112 /nfs/dbraw/zinc/44/91/12/382449112.db2.gz JTZVBNNYDUZJQM-CMPLNLGQSA-N 2 0 298.814 2.526 20 0 CFADRP CCc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000352706681 382452518 /nfs/dbraw/zinc/45/25/18/382452518.db2.gz PPKYIGSJMCRXLU-UHFFFAOYSA-N 2 0 273.424 2.608 20 0 CFADRP CCC[C@H]1CN(c2ccncc2Cl)CC[N@@H+]1CCOC ZINC000346668065 382462297 /nfs/dbraw/zinc/46/22/97/382462297.db2.gz LYGTUBOECWUMHI-ZDUSSCGKSA-N 2 0 297.830 2.672 20 0 CFADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1OC(C)C ZINC000346690407 382474606 /nfs/dbraw/zinc/47/46/06/382474606.db2.gz TXOMGHXQRIMCMU-UHFFFAOYSA-N 2 0 292.423 2.653 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1SC ZINC000346694409 382477759 /nfs/dbraw/zinc/47/77/59/382477759.db2.gz UIZPSWGFDJLIKG-YPMHNXCESA-N 2 0 280.437 2.586 20 0 CFADRP C[N@H+](C/C=C\c1ccc(F)cc1F)CC(C)(C)C[NH3+] ZINC000346694244 382478407 /nfs/dbraw/zinc/47/84/07/382478407.db2.gz SXICYYYHYBJSFU-PLNGDYQASA-N 2 0 268.351 2.895 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000310779410 382497309 /nfs/dbraw/zinc/49/73/09/382497309.db2.gz FFRKKIPPPYAJRH-FPCVCCKLSA-N 2 0 250.430 2.744 20 0 CFADRP CCC(C)(C)OCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000308760145 382486921 /nfs/dbraw/zinc/48/69/21/382486921.db2.gz XNRAOXPHKWGVAL-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1F ZINC000346807622 382522990 /nfs/dbraw/zinc/52/29/90/382522990.db2.gz TYHXBGJUPBSTEK-YWPYICTPSA-N 2 0 280.387 2.968 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)C[C@H]21 ZINC000346816939 382526786 /nfs/dbraw/zinc/52/67/86/382526786.db2.gz BHGVZAVWIOEFPU-RAIBAHKFSA-N 2 0 274.383 2.898 20 0 CFADRP c1ccc(C[N@H+](C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346818199 382528293 /nfs/dbraw/zinc/52/82/93/382528293.db2.gz BDLNZOZNRQTDTB-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379646574 382507521 /nfs/dbraw/zinc/50/75/21/382507521.db2.gz FPDXZHRMEGIRRJ-KBAYOESNSA-N 2 0 289.467 2.614 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346841328 382539636 /nfs/dbraw/zinc/53/96/36/382539636.db2.gz VQGUZUYQIUXCMT-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346845818 382542651 /nfs/dbraw/zinc/54/26/51/382542651.db2.gz BGPGADYVQHXFJP-YUTCNCBUSA-N 2 0 293.480 3.000 20 0 CFADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000346850005 382544715 /nfs/dbraw/zinc/54/47/15/382544715.db2.gz HPIUJEXALLGUFF-BSWAZPDLSA-N 2 0 258.409 2.849 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C[NH+]1CCCCC1 ZINC000353455010 382546731 /nfs/dbraw/zinc/54/67/31/382546731.db2.gz NJKMWKUHPMCDLO-BRSBDYLESA-N 2 0 293.499 2.571 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353439366 382546882 /nfs/dbraw/zinc/54/68/82/382546882.db2.gz WVIJABOJXSQNLQ-ZACQAIPSSA-N 2 0 258.409 2.957 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC2CC(OCC)C2)CC1 ZINC000189259156 382576288 /nfs/dbraw/zinc/57/62/88/382576288.db2.gz PLIHPRJHRICNON-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCOCc2ccccc2)CC[NH2+]1 ZINC000384038951 382548587 /nfs/dbraw/zinc/54/85/87/382548587.db2.gz HMUJYSAGOJXGBF-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384071757 382548800 /nfs/dbraw/zinc/54/88/00/382548800.db2.gz NNQJRJVTEQOQMN-ROUUACIJSA-N 2 0 290.451 2.899 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNc1ccccc1F ZINC000346870293 382553335 /nfs/dbraw/zinc/55/33/35/382553335.db2.gz UHNLPRAPOAEIPC-JKIFEVAISA-N 2 0 293.430 2.946 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)[C@H](C)C1 ZINC000358300021 382555212 /nfs/dbraw/zinc/55/52/12/382555212.db2.gz LJRJILMLVCFTBT-DYVFJYSZSA-N 2 0 274.408 2.537 20 0 CFADRP C[C@H](CC[NH2+][C@H](C)C1CCOCC1)[NH+]1CCCCC1 ZINC000346880130 382556834 /nfs/dbraw/zinc/55/68/34/382556834.db2.gz MSOCGXZNRMQQHY-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000353559169 382559896 /nfs/dbraw/zinc/55/98/96/382559896.db2.gz ZOLGNIOALKECKY-XIRDDKMYSA-N 2 0 258.409 2.674 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000358341444 382577315 /nfs/dbraw/zinc/57/73/15/382577315.db2.gz NQQQSOZLUTZHRM-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000358326240 382569961 /nfs/dbraw/zinc/56/99/61/382569961.db2.gz ZSWUQQFWYSNEFV-XNJGSVPQSA-N 2 0 274.408 2.535 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@@H]2CCC[C@@H]21 ZINC000353600999 382573027 /nfs/dbraw/zinc/57/30/27/382573027.db2.gz AAMPVCUJPWAJRH-BQFCYCMXSA-N 2 0 298.434 2.568 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000316981891 382530566 /nfs/dbraw/zinc/53/05/66/382530566.db2.gz HOBPNJWBQFDPCC-UHFFFAOYSA-N 2 0 295.386 2.604 20 0 CFADRP C[C@H]1C[C@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000346826104 382531909 /nfs/dbraw/zinc/53/19/09/382531909.db2.gz DVKDZRRWHWGKFP-DOTOQJQBSA-N 2 0 289.467 2.709 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000319471682 382534831 /nfs/dbraw/zinc/53/48/31/382534831.db2.gz QSQINYOBKZSOQF-MSOLQXFVSA-N 2 0 290.451 2.913 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346838773 382537666 /nfs/dbraw/zinc/53/76/66/382537666.db2.gz RJCAEJAOUYRWNI-AETAKHFUSA-N 2 0 288.435 2.858 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000386309370 382586072 /nfs/dbraw/zinc/58/60/72/382586072.db2.gz GVWAODKSGKHYLF-IUODEOHRSA-N 2 0 250.361 2.551 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353631300 382586310 /nfs/dbraw/zinc/58/63/10/382586310.db2.gz LESDFZPXOSGJBW-KURKYZTESA-N 2 0 288.435 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)[C@@H]2CCC[C@@H]21 ZINC000353631863 382587569 /nfs/dbraw/zinc/58/75/69/382587569.db2.gz NEEDUHHXZWEESG-ULQDDVLXSA-N 2 0 298.434 2.568 20 0 CFADRP COc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(F)c1 ZINC000397241236 382632874 /nfs/dbraw/zinc/63/28/74/382632874.db2.gz LWDOCWHOZJHWQO-BZPMIXESSA-N 2 0 280.387 2.640 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358380693 382595085 /nfs/dbraw/zinc/59/50/85/382595085.db2.gz LODUPAZSVKPRBB-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP CSC1(C[NH2+][C@@H](C)CCC2CC2)CC[NH+](C)CC1 ZINC000353659042 382597951 /nfs/dbraw/zinc/59/79/51/382597951.db2.gz LYSSVQMXRYAIFB-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000353676814 382601922 /nfs/dbraw/zinc/60/19/22/382601922.db2.gz WVFDTVBTAPAPJF-DDHJBXDOSA-N 2 0 264.335 2.647 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC2)[C@H](C)C1 ZINC000358406077 382602354 /nfs/dbraw/zinc/60/23/54/382602354.db2.gz SBMOISKDXVJFDH-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000388330166 382606453 /nfs/dbraw/zinc/60/64/53/382606453.db2.gz DQFNQQLVBAINBS-LTTZEQNMSA-N 2 0 260.381 2.534 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000389056291 382610733 /nfs/dbraw/zinc/61/07/33/382610733.db2.gz JTMHCLJJNCTAHI-WCVJEAGWSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000389056280 382611711 /nfs/dbraw/zinc/61/17/11/382611711.db2.gz JTMHCLJJNCTAHI-QXSJWSMHSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389804246 382617290 /nfs/dbraw/zinc/61/72/90/382617290.db2.gz UMAOWHBBBJAUOY-NUJGCVRESA-N 2 0 289.467 2.614 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390518457 382617876 /nfs/dbraw/zinc/61/78/76/382617876.db2.gz DXVYVAJKFKXXAG-SQNIBIBYSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(F)c1F)C1CC[NH+](C)CC1 ZINC000396443119 382631168 /nfs/dbraw/zinc/63/11/68/382631168.db2.gz BFASJHYIHGMXKD-NSHDSACASA-N 2 0 268.351 2.785 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC2CCOCC2)C[C@H]1C ZINC000346949484 382582390 /nfs/dbraw/zinc/58/23/90/382582390.db2.gz GMHAFXZMBVSZRS-NVXWUHKLSA-N 2 0 282.472 2.998 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC2CCOCC2)C[C@@H]1C ZINC000346949486 382582848 /nfs/dbraw/zinc/58/28/48/382582848.db2.gz GMHAFXZMBVSZRS-RDJZCZTQSA-N 2 0 282.472 2.998 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC2CCOCC2)C[C@@H]1C ZINC000346949483 382582873 /nfs/dbraw/zinc/58/28/73/382582873.db2.gz GMHAFXZMBVSZRS-DOTOQJQBSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933547 382645913 /nfs/dbraw/zinc/64/59/13/382645913.db2.gz XMBBHXPVXNRHET-ZOBUZTSGSA-N 2 0 280.456 2.798 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCCO1 ZINC000189731397 382637978 /nfs/dbraw/zinc/63/79/78/382637978.db2.gz JUCDOOFLXPGULD-PVAVHDDUSA-N 2 0 278.440 2.504 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cnn1C(C)C ZINC000191212258 382695711 /nfs/dbraw/zinc/69/57/11/382695711.db2.gz LRPGYDUOCTUMBE-OCCSQVGLSA-N 2 0 264.417 2.517 20 0 CFADRP CC[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191403364 382699844 /nfs/dbraw/zinc/69/98/44/382699844.db2.gz QHGZIVSGMFVOGK-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000191978079 382703937 /nfs/dbraw/zinc/70/39/37/382703937.db2.gz ZJOABRDQKWNTTB-HNNXBMFYSA-N 2 0 277.412 2.549 20 0 CFADRP COC(=O)C1CCC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000192442796 382708823 /nfs/dbraw/zinc/70/88/23/382708823.db2.gz VNDYGXKTROENMH-NRXISQOPSA-N 2 0 298.471 2.674 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCCO ZINC000193255007 382717575 /nfs/dbraw/zinc/71/75/75/382717575.db2.gz GZAWGIJKZQCBQI-UHFFFAOYSA-N 2 0 278.440 2.507 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC000193622336 382721722 /nfs/dbraw/zinc/72/17/22/382721722.db2.gz DFZCHPYJBMEUHO-OKILXGFUSA-N 2 0 272.417 2.895 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(SC)cc1OC ZINC000575046620 382724733 /nfs/dbraw/zinc/72/47/33/382724733.db2.gz XHRWFQXIQWSHIT-GHMZBOCLSA-N 2 0 298.452 2.641 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000575071786 382726139 /nfs/dbraw/zinc/72/61/39/382726139.db2.gz GVHBYXFKLWKWET-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(OC)c1 ZINC000336832805 382726682 /nfs/dbraw/zinc/72/66/82/382726682.db2.gz FTEIOZFWVRNSCO-QWHCGFSZSA-N 2 0 280.412 2.872 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000336835433 382728549 /nfs/dbraw/zinc/72/85/49/382728549.db2.gz UNYRNHZJMPTQKW-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP CN1CC[C@H]2CC[N@H+](CCSCc3ccccc3)[C@@H]2C1 ZINC000193917276 382729306 /nfs/dbraw/zinc/72/93/06/382729306.db2.gz ZDBZNUGWOKBWHY-DLBZAZTESA-N 2 0 290.476 2.946 20 0 CFADRP CCN(CC)[C@@H](C[NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000336838061 382730556 /nfs/dbraw/zinc/73/05/56/382730556.db2.gz MRMBDPXXHQPGHT-WBVHZDCISA-N 2 0 277.456 2.787 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000336842344 382732144 /nfs/dbraw/zinc/73/21/44/382732144.db2.gz UKYCJTGNDCGOIY-CHWSQXEVSA-N 2 0 294.361 2.559 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000337134989 382765773 /nfs/dbraw/zinc/76/57/73/382765773.db2.gz MCOLKXDJWYEKIR-CVEARBPZSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000202481450 382773028 /nfs/dbraw/zinc/77/30/28/382773028.db2.gz AEOUOMBYBGAJDV-KRWDZBQOSA-N 2 0 258.409 2.993 20 0 CFADRP CCCOc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219799186 382794524 /nfs/dbraw/zinc/79/45/24/382794524.db2.gz XWKYFYJVQLQXCK-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP c1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)C[NH2+]CC2 ZINC000211980360 382775725 /nfs/dbraw/zinc/77/57/25/382775725.db2.gz HXPQDEXYLIKFCG-IYBDPMFKSA-N 2 0 256.393 2.564 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000194213862 382737803 /nfs/dbraw/zinc/73/78/03/382737803.db2.gz YVSLYXHTQJMWLQ-OAHLLOKOSA-N 2 0 276.428 2.585 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000194536751 382747332 /nfs/dbraw/zinc/74/73/32/382747332.db2.gz WMNHENSEPWZSCX-FPCVCCKLSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H](CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc(Cl)c1 ZINC000194543078 382747780 /nfs/dbraw/zinc/74/77/80/382747780.db2.gz SJLMXKKEVNIGGG-AEGPPILISA-N 2 0 278.827 2.937 20 0 CFADRP C[C@H](CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000194542651 382747902 /nfs/dbraw/zinc/74/79/02/382747902.db2.gz WIGLRHAUWLSLNQ-OIISXLGYSA-N 2 0 258.409 2.674 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000194971399 382758695 /nfs/dbraw/zinc/75/86/95/382758695.db2.gz HWDRLEPOGRATGY-NJAFHUGGSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000194971419 382758732 /nfs/dbraw/zinc/75/87/32/382758732.db2.gz HWDRLEPOGRATGY-SZMVWBNQSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1C ZINC000219319684 382793165 /nfs/dbraw/zinc/79/31/65/382793165.db2.gz ZQGHWBMOCBOFMB-INIZCTEOSA-N 2 0 278.440 2.841 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)c2ccccc21 ZINC000219306326 382793267 /nfs/dbraw/zinc/79/32/67/382793267.db2.gz SANHDRBVXXGYOG-YOEHRIQHSA-N 2 0 276.424 2.793 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228288187 382846061 /nfs/dbraw/zinc/84/60/61/382846061.db2.gz LUTORWNIHBVZDY-DGCLKSJQSA-N 2 0 258.365 2.910 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000220320859 382795991 /nfs/dbraw/zinc/79/59/91/382795991.db2.gz KJUMWFMLDMLSJL-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220337501 382796067 /nfs/dbraw/zinc/79/60/67/382796067.db2.gz FLWAIEXGGNGGNS-PWSUYJOCSA-N 2 0 288.313 2.754 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000337295166 382796168 /nfs/dbraw/zinc/79/61/68/382796168.db2.gz ABSHSLBPFDDYAW-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CCC(C)(C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337297885 382796486 /nfs/dbraw/zinc/79/64/86/382796486.db2.gz KWHVJMAGUXVGFM-UHFFFAOYSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000575795198 382799301 /nfs/dbraw/zinc/79/93/01/382799301.db2.gz YNSRGGWWXYBWTI-CQSZACIVSA-N 2 0 285.435 2.923 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000337323760 382801356 /nfs/dbraw/zinc/80/13/56/382801356.db2.gz SPCXUVXPLNXHTB-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)COCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337324908 382801837 /nfs/dbraw/zinc/80/18/37/382801837.db2.gz UUPNZQMQCAUHDK-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000337326460 382802250 /nfs/dbraw/zinc/80/22/50/382802250.db2.gz CKZQSHAXBOIXQE-CYBMUJFWSA-N 2 0 256.434 2.652 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000337327870 382802573 /nfs/dbraw/zinc/80/25/73/382802573.db2.gz DLHHIJASQVUHQS-OWCLPIDISA-N 2 0 270.461 2.758 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229057704 382850160 /nfs/dbraw/zinc/85/01/60/382850160.db2.gz HIJLXFIAOGOAEO-ZBFHGGJFSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000337338323 382805110 /nfs/dbraw/zinc/80/51/10/382805110.db2.gz NTUILWRMBUBWTE-ZDUSSCGKSA-N 2 0 282.403 2.790 20 0 CFADRP c1cc(N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000223824014 382807242 /nfs/dbraw/zinc/80/72/42/382807242.db2.gz QXQKCMYUKDZJRJ-KRWDZBQOSA-N 2 0 289.423 2.599 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000576003408 382807334 /nfs/dbraw/zinc/80/73/34/382807334.db2.gz WNPJHMQXQUWHFD-LSDHHAIUSA-N 2 0 258.409 2.886 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000337346737 382807580 /nfs/dbraw/zinc/80/75/80/382807580.db2.gz WTUCVGVJONTTIV-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000224283866 382809810 /nfs/dbraw/zinc/80/98/10/382809810.db2.gz SPLQNRNJGKSBCP-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP COc1ccsc1[C@@H](C)NCCC[NH2+]C(C)C ZINC000576146623 382812038 /nfs/dbraw/zinc/81/20/38/382812038.db2.gz XRVRBIUKWCWKFQ-LLVKDONJSA-N 2 0 256.415 2.795 20 0 CFADRP Cc1nccn1CCCN1CCCC[C@@H]1C(F)F ZINC000337381048 382812220 /nfs/dbraw/zinc/81/22/20/382812220.db2.gz CGQYMFYNUZNGRD-GFCCVEGCSA-N 2 0 257.328 2.701 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000337394695 382814796 /nfs/dbraw/zinc/81/47/96/382814796.db2.gz MMLHVMMLAWDNNU-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000337434419 382820636 /nfs/dbraw/zinc/82/06/36/382820636.db2.gz WBZRCUZAJWWCPB-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000337455530 382823903 /nfs/dbraw/zinc/82/39/03/382823903.db2.gz HNQBCZSVSUADEV-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000577191856 382851361 /nfs/dbraw/zinc/85/13/61/382851361.db2.gz YRJUHUNSPHXVQA-RKDXNWHRSA-N 2 0 293.358 2.564 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435056 382828811 /nfs/dbraw/zinc/82/88/11/382828811.db2.gz BVCKWLWJCDISFP-OAHLLOKOSA-N 2 0 274.408 2.659 20 0 CFADRP c1ccc2c(c1)OC[C@@H]2C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576785126 382836214 /nfs/dbraw/zinc/83/62/14/382836214.db2.gz LYAYSECIYDZLBJ-HNNXBMFYSA-N 2 0 286.419 2.627 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000227498687 382837175 /nfs/dbraw/zinc/83/71/75/382837175.db2.gz NUORZFZOLDSXEC-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000576836947 382838360 /nfs/dbraw/zinc/83/83/60/382838360.db2.gz GWGVXADZVWPNSX-HOTGVXAUSA-N 2 0 258.409 2.651 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)on2)cc1 ZINC000228079675 382844061 /nfs/dbraw/zinc/84/40/61/382844061.db2.gz YRRYACRZKVISMJ-KGLIPLIRSA-N 2 0 285.391 2.819 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422878497 532961350 /nfs/dbraw/zinc/96/13/50/532961350.db2.gz KAZSONPVBZFIRV-DOMZBBRYSA-N 2 0 264.438 2.886 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000494376582 382912477 /nfs/dbraw/zinc/91/24/77/382912477.db2.gz VGLYDWGGTCHDNQ-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN3CCCC[C@H]13)CO2 ZINC000493895179 382907053 /nfs/dbraw/zinc/90/70/53/382907053.db2.gz VBHOWFMUAJDPMN-GVDBMIGSSA-N 2 0 286.419 2.597 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000577410410 382858834 /nfs/dbraw/zinc/85/88/34/382858834.db2.gz ACPHFDYJUOXPKQ-YVSFHVDLSA-N 2 0 274.408 2.624 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577626850 382865446 /nfs/dbraw/zinc/86/54/46/382865446.db2.gz VQHPGLSIVYBALD-ILXRZTDVSA-N 2 0 262.397 2.622 20 0 CFADRP c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000232486928 382868899 /nfs/dbraw/zinc/86/88/99/382868899.db2.gz QCPSEWRRYVZERR-FGTMMUONSA-N 2 0 270.420 2.664 20 0 CFADRP COc1ccncc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000577835703 382872095 /nfs/dbraw/zinc/87/20/95/382872095.db2.gz PCEBCJPOZVZFSO-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CSc3ccccc32)C1 ZINC000577887436 382874713 /nfs/dbraw/zinc/87/47/13/382874713.db2.gz QWORMUZBHSWQSO-YNEHKIRRSA-N 2 0 262.422 2.735 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000234713270 382874884 /nfs/dbraw/zinc/87/48/84/382874884.db2.gz ABUSANYVZREDKZ-UHFFFAOYSA-N 2 0 288.844 2.507 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578025699 382885208 /nfs/dbraw/zinc/88/52/08/382885208.db2.gz ASVHOLDHVODUAB-NUEKZKHPSA-N 2 0 296.842 2.930 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000235902570 382889278 /nfs/dbraw/zinc/88/92/78/382889278.db2.gz YVAVCFWINVJKIC-AWEZNQCLSA-N 2 0 250.361 2.837 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337989905 382891577 /nfs/dbraw/zinc/89/15/77/382891577.db2.gz RTOHZMVFNLKTAD-IRXDYDNUSA-N 2 0 299.478 2.522 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992078 382892128 /nfs/dbraw/zinc/89/21/28/382892128.db2.gz QRWDHWGEXJPAGA-JLSDUUJJSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337997086 382894479 /nfs/dbraw/zinc/89/44/79/382894479.db2.gz JUSYXTJWJUSYOG-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000236990110 382941122 /nfs/dbraw/zinc/94/11/22/382941122.db2.gz ASYZNDKDCGPMMH-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C1 ZINC000578668626 382943543 /nfs/dbraw/zinc/94/35/43/382943543.db2.gz JKDJDKKWGWJKNR-RBSFLKMASA-N 2 0 282.815 2.623 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000578738903 382948997 /nfs/dbraw/zinc/94/89/97/382948997.db2.gz MTUDGNPRJRPZHK-KWOWKCNFSA-N 2 0 296.418 2.682 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1 ZINC000442752604 382951878 /nfs/dbraw/zinc/95/18/78/382951878.db2.gz DXBBOQDINOFZHB-CQSZACIVSA-N 2 0 286.379 2.613 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000442764601 382953496 /nfs/dbraw/zinc/95/34/96/382953496.db2.gz CTNHLPXZRXQOGB-VXGBXAGGSA-N 2 0 289.354 2.650 20 0 CFADRP COC1([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000421865313 382953579 /nfs/dbraw/zinc/95/35/79/382953579.db2.gz ZLJDUGSMVSGULT-WZYMTQMTSA-N 2 0 280.456 2.939 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000237222508 382953869 /nfs/dbraw/zinc/95/38/69/382953869.db2.gz KONLAEKDGJXRAD-CQSZACIVSA-N 2 0 289.423 2.609 20 0 CFADRP CC[C@@H](O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000421878159 382957441 /nfs/dbraw/zinc/95/74/41/382957441.db2.gz NBMQQRWWPGZJEU-DAWZGUTISA-N 2 0 290.451 2.790 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1F ZINC000495079829 382959678 /nfs/dbraw/zinc/95/96/78/382959678.db2.gz BJBZJXZXKMBYEG-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422947620 532961938 /nfs/dbraw/zinc/96/19/38/532961938.db2.gz QOQLRYPBYBHJHJ-HZSPNIEDSA-N 2 0 294.464 2.893 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422947621 532962067 /nfs/dbraw/zinc/96/20/67/532962067.db2.gz QOQLRYPBYBHJHJ-MCIONIFRSA-N 2 0 294.464 2.893 20 0 CFADRP Cc1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000441486986 382917228 /nfs/dbraw/zinc/91/72/28/382917228.db2.gz NWKHRNZMSCYJJT-INIZCTEOSA-N 2 0 273.424 2.698 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000236809919 382921153 /nfs/dbraw/zinc/92/11/53/382921153.db2.gz LNESRHNVBXIBPN-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422947623 532962540 /nfs/dbraw/zinc/96/25/40/532962540.db2.gz QOQLRYPBYBHJHJ-RDBSUJKOSA-N 2 0 294.464 2.893 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000421803730 382928542 /nfs/dbraw/zinc/92/85/42/382928542.db2.gz RKSLYAMNRCPMNS-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422729136 382975906 /nfs/dbraw/zinc/97/59/06/382975906.db2.gz BIQINKYAIOLVRN-STQMWFEESA-N 2 0 272.314 2.717 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422730048 382976049 /nfs/dbraw/zinc/97/60/49/382976049.db2.gz JEGMHYBBDJTCTA-ZMSDIMECSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422729131 382976082 /nfs/dbraw/zinc/97/60/82/382976082.db2.gz BIQINKYAIOLVRN-CHWSQXEVSA-N 2 0 272.314 2.717 20 0 CFADRP O=C(Nc1ccc(Oc2ccncc2)cc1)C1CC[NH2+]CC1 ZINC000237988443 382976602 /nfs/dbraw/zinc/97/66/02/382976602.db2.gz WDKOQFQTFNIGLO-UHFFFAOYSA-N 2 0 297.358 2.812 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422729134 382976683 /nfs/dbraw/zinc/97/66/83/382976683.db2.gz BIQINKYAIOLVRN-QWHCGFSZSA-N 2 0 272.314 2.717 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174427 412968591 /nfs/dbraw/zinc/96/85/91/412968591.db2.gz BDCXRPKESBLVNX-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000422794590 382980513 /nfs/dbraw/zinc/98/05/13/382980513.db2.gz UMCGLOSIXUWIFL-LJIZCISZSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc21 ZINC000422797179 382980602 /nfs/dbraw/zinc/98/06/02/382980602.db2.gz LHWJNEZWVHRSJD-LZQZEXGQSA-N 2 0 299.462 2.985 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])CC(C)C ZINC000422824873 382982225 /nfs/dbraw/zinc/98/22/25/382982225.db2.gz IFIBDVHNPUUMJO-BBWFWOEESA-N 2 0 283.504 2.993 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422852679 382983425 /nfs/dbraw/zinc/98/34/25/382983425.db2.gz QZQIEIRROYXTNE-ZBFHGGJFSA-N 2 0 288.435 2.705 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(CC(C)C)CCC1 ZINC000422869875 382985320 /nfs/dbraw/zinc/98/53/20/382985320.db2.gz AWPCJYNSMNZIBH-CQSZACIVSA-N 2 0 256.434 2.546 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(C(F)(F)F)c1 ZINC000422880403 382985376 /nfs/dbraw/zinc/98/53/76/382985376.db2.gz OAYVOSALRBZJDE-SNVBAGLBSA-N 2 0 290.329 2.931 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422881078 382985727 /nfs/dbraw/zinc/98/57/27/382985727.db2.gz NKTLLHPKYRQHJG-HOTGVXAUSA-N 3 0 269.477 2.748 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@@H]2CCCCO2)C[C@@H]1C ZINC000338310045 382986705 /nfs/dbraw/zinc/98/67/05/382986705.db2.gz XSUMHUAUHXVVGY-YESZJQIVSA-N 2 0 298.471 2.724 20 0 CFADRP CC[C@@H](NC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422909029 382987406 /nfs/dbraw/zinc/98/74/06/382987406.db2.gz NIXMFZDEGOLTIZ-NXHRZFHOSA-N 2 0 289.467 2.627 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422910799 382988294 /nfs/dbraw/zinc/98/82/94/382988294.db2.gz JIDGCVYGWNMJTR-ROUUACIJSA-N 3 0 289.467 2.744 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000579140831 382988277 /nfs/dbraw/zinc/98/82/77/382988277.db2.gz SHPINQGTLNCGTC-GJZGRUSLSA-N 2 0 264.388 2.963 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919591 382988746 /nfs/dbraw/zinc/98/87/46/382988746.db2.gz KCNDWHCDSKVAHM-KLHDSHLOSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548880683 382989518 /nfs/dbraw/zinc/98/95/18/382989518.db2.gz ZQTNNLPPJBUPDQ-ZJUUUORDSA-N 2 0 252.324 2.505 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccco1 ZINC000422970136 382989693 /nfs/dbraw/zinc/98/96/93/382989693.db2.gz FOROSZSYDXUBLR-BZUAXINKSA-N 2 0 293.455 2.912 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422966577 382989717 /nfs/dbraw/zinc/98/97/17/382989717.db2.gz NTFVGHQRGHYURG-NILFDRSVSA-N 2 0 278.371 2.756 20 0 CFADRP CC[C@@H]([NH2+]CCc1c(C)cccc1C)[C@@H]1CCC[NH2+]1 ZINC000422946635 382989899 /nfs/dbraw/zinc/98/98/99/382989899.db2.gz WWKMLBMWSDONJD-SJORKVTESA-N 2 0 260.425 2.966 20 0 CFADRP CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000422947139 382989912 /nfs/dbraw/zinc/98/99/12/382989912.db2.gz PUQSMJRCEMCLHP-IUODEOHRSA-N 2 0 262.397 2.790 20 0 CFADRP Oc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422973311 382991050 /nfs/dbraw/zinc/99/10/50/382991050.db2.gz OARHSLYATCCVGX-GVDBMIGSSA-N 2 0 288.435 2.835 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422970346 382991332 /nfs/dbraw/zinc/99/13/32/382991332.db2.gz GEPLXLPQRINIIA-HNNXBMFYSA-N 2 0 299.418 2.878 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422973005 382991573 /nfs/dbraw/zinc/99/15/73/382991573.db2.gz NMVJLFNDHLLMTI-VSZNYVQBSA-N 3 0 293.499 2.619 20 0 CFADRP CC1=CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000579213631 382992486 /nfs/dbraw/zinc/99/24/86/382992486.db2.gz NPESHDKYGGYSFT-JQHSSLGASA-N 2 0 292.467 2.843 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423027664 383018851 /nfs/dbraw/zinc/01/88/51/383018851.db2.gz DWMWKJLXUYSKGU-ZBFHGGJFSA-N 2 0 279.403 2.877 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[nH]n1 ZINC000579225537 382994195 /nfs/dbraw/zinc/99/41/95/382994195.db2.gz ORYNBBZTDNCZOO-KKBVYLPWSA-N 2 0 290.455 2.550 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Nc1ccccc1 ZINC000422979147 382994345 /nfs/dbraw/zinc/99/43/45/382994345.db2.gz LMCCAUNIAZGVSR-OIISXLGYSA-N 2 0 275.440 2.840 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000422977924 382994378 /nfs/dbraw/zinc/99/43/78/382994378.db2.gz XWZCGNMPFPKDNC-STQMWFEESA-N 2 0 299.418 2.836 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422982042 382995320 /nfs/dbraw/zinc/99/53/20/382995320.db2.gz VFWCPRBDBTYIDO-BBWFWOEESA-N 2 0 276.424 2.908 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000447556315 382997062 /nfs/dbraw/zinc/99/70/62/382997062.db2.gz FSCLVCBDSQQUCO-BHYGNILZSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422986329 382998031 /nfs/dbraw/zinc/99/80/31/382998031.db2.gz BZNDTFIZXFHZEE-BASLNEPJSA-N 2 0 258.409 2.679 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000447590318 382998585 /nfs/dbraw/zinc/99/85/85/382998585.db2.gz BTBNUKKZWZEURY-CQSZACIVSA-N 2 0 282.428 2.905 20 0 CFADRP COc1cccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000422989988 382998708 /nfs/dbraw/zinc/99/87/08/382998708.db2.gz BIGIRHFSQUHBPQ-HOCLYGCPSA-N 2 0 291.439 2.533 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000422990607 382999201 /nfs/dbraw/zinc/99/92/01/382999201.db2.gz NWPCCOXZXCSWCE-PVAVHDDUSA-N 2 0 276.424 2.841 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000422993202 383000084 /nfs/dbraw/zinc/00/00/84/383000084.db2.gz RAYQHHPUQGNJNA-VBNZEHGJSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422993229 383000468 /nfs/dbraw/zinc/00/04/68/383000468.db2.gz RFIXNYXQETYGBI-ZBFHGGJFSA-N 2 0 276.399 2.865 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000422996282 383001250 /nfs/dbraw/zinc/00/12/50/383001250.db2.gz SOCSNLLBGZKHIR-QEORTHHSSA-N 2 0 291.439 2.703 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422995895 383001671 /nfs/dbraw/zinc/00/16/71/383001671.db2.gz ZUXINNBWUXFJSC-WBVHZDCISA-N 2 0 298.434 2.788 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1c[nH+]ccc1N ZINC000422999327 383002804 /nfs/dbraw/zinc/00/28/04/383002804.db2.gz SJSKQIYKKLNXHG-GJZGRUSLSA-N 2 0 290.455 2.655 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000422998996 383003149 /nfs/dbraw/zinc/00/31/49/383003149.db2.gz XKHYAOWYKMMXJM-VZEFYGNVSA-N 2 0 274.408 2.924 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1ccccn1 ZINC000422999108 383003230 /nfs/dbraw/zinc/00/32/30/383003230.db2.gz RXSWZCWLONHURX-CYBMUJFWSA-N 2 0 284.407 2.527 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423000974 383004111 /nfs/dbraw/zinc/00/41/11/383004111.db2.gz HFPXSNLUJMFOII-GOEBONIOSA-N 2 0 262.397 2.611 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000423001799 383004233 /nfs/dbraw/zinc/00/42/33/383004233.db2.gz ILMCOZIRVGUVMP-DOTOQJQBSA-N 2 0 260.425 2.871 20 0 CFADRP CCc1ccc([C@@H](COC)[NH2+]C2CCC(C[NH3+])CC2)o1 ZINC000423001568 383004740 /nfs/dbraw/zinc/00/47/40/383004740.db2.gz DZTNZXWBFNEFBD-SSDMNJCBSA-N 2 0 280.412 2.637 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423002581 383005225 /nfs/dbraw/zinc/00/52/25/383005225.db2.gz JPZQZPZVRIKJPW-STQMWFEESA-N 2 0 264.413 2.688 20 0 CFADRP C[C@@H](CCO)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000245546904 383005555 /nfs/dbraw/zinc/00/55/55/383005555.db2.gz WVBVEVXWQCNNRO-FUHWJXTLSA-N 2 0 290.451 2.744 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000245649565 383018319 /nfs/dbraw/zinc/01/83/19/383018319.db2.gz CGDCFJFIQJDJSJ-IXDOHACOSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423004912 383006935 /nfs/dbraw/zinc/00/69/35/383006935.db2.gz QGIKMYPUAMZCNQ-QEJZJMRPSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423005570 383006987 /nfs/dbraw/zinc/00/69/87/383006987.db2.gz SFQYZDAMOWEUHX-OWCLPIDISA-N 2 0 284.488 2.930 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000423005827 383008968 /nfs/dbraw/zinc/00/89/68/383008968.db2.gz SYENNSIGCFIAEI-BLLLJJGKSA-N 2 0 293.455 2.542 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423012240 383009662 /nfs/dbraw/zinc/00/96/62/383009662.db2.gz CNUIPDPJZLYSJQ-WRQOLXDDSA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423008641 383010374 /nfs/dbraw/zinc/01/03/74/383010374.db2.gz ATIUGZOQYUQRJO-ZIAGYGMSSA-N 2 0 258.475 2.743 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000579408767 383011972 /nfs/dbraw/zinc/01/19/72/383011972.db2.gz PIHZJNUQLKHAMM-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423015062 383012619 /nfs/dbraw/zinc/01/26/19/383012619.db2.gz QJGFJUAZPDBTKO-KGLIPLIRSA-N 2 0 282.815 2.751 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245600560 383013124 /nfs/dbraw/zinc/01/31/24/383013124.db2.gz ORXGCODPJDFXSZ-CABCVRRESA-N 2 0 276.428 2.648 20 0 CFADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245608112 383013364 /nfs/dbraw/zinc/01/33/64/383013364.db2.gz KQVINAXQHYNZDC-CVEARBPZSA-N 2 0 290.455 2.658 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423017803 383013443 /nfs/dbraw/zinc/01/34/43/383013443.db2.gz PPCAEHKHBHZREW-FJJYHAOUSA-N 2 0 268.376 2.617 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C2CCC([NH3+])CC2)C2CC2)c1 ZINC000423018164 383013566 /nfs/dbraw/zinc/01/35/66/383013566.db2.gz YEUFYAAMBLWMPK-LEOMRAHMSA-N 2 0 288.435 2.876 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423019793 383015566 /nfs/dbraw/zinc/01/55/66/383015566.db2.gz XEYKDOJNDJDBOS-OLZOCXBDSA-N 2 0 252.427 2.849 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000443062348 382965363 /nfs/dbraw/zinc/96/53/63/382965363.db2.gz UMKQMNMIYVJHKC-HNNXBMFYSA-N 2 0 268.445 2.787 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423047367 383030531 /nfs/dbraw/zinc/03/05/31/383030531.db2.gz VBNOALJNEFOLDP-MIGQKNRLSA-N 2 0 268.445 2.700 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423050528 383031275 /nfs/dbraw/zinc/03/12/75/383031275.db2.gz MAJYITHWTZADHN-NEPJUHHUSA-N 2 0 266.433 2.725 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423051774 383031749 /nfs/dbraw/zinc/03/17/49/383031749.db2.gz OZPJPEFPSZMSDP-XGNXJENSSA-N 2 0 278.444 2.867 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423050747 383031844 /nfs/dbraw/zinc/03/18/44/383031844.db2.gz ZHRDZBLCIQJPSY-FZMZJTMJSA-N 2 0 286.341 2.754 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423055230 383033379 /nfs/dbraw/zinc/03/33/79/383033379.db2.gz CXLRTGLZTANZNA-MRXNPFEDSA-N 2 0 275.440 2.763 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423060385 383035541 /nfs/dbraw/zinc/03/55/41/383035541.db2.gz HZVWYXPZZBFRIE-LSDHHAIUSA-N 2 0 291.826 2.844 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000423390802 383078385 /nfs/dbraw/zinc/07/83/85/383078385.db2.gz KNOSQIVFGWYGAR-SCVCMEIPSA-N 2 0 267.442 2.663 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000579613861 383036879 /nfs/dbraw/zinc/03/68/79/383036879.db2.gz GPGGUJWMSGJDKG-OAGGEKHMSA-N 2 0 291.439 2.666 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)C1 ZINC000579613860 383037512 /nfs/dbraw/zinc/03/75/12/383037512.db2.gz GPGGUJWMSGJDKG-BZUAXINKSA-N 2 0 291.439 2.666 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cn(C)c2c1 ZINC000423062682 383037488 /nfs/dbraw/zinc/03/74/88/383037488.db2.gz URKJFDCERRFJBQ-ZIAGYGMSSA-N 2 0 273.424 2.745 20 0 CFADRP CCSc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccn1 ZINC000423064498 383037899 /nfs/dbraw/zinc/03/78/99/383037899.db2.gz RKGORLWZFBKNCG-JSGCOSHPSA-N 2 0 279.453 2.671 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1OC(F)F ZINC000423069412 383039687 /nfs/dbraw/zinc/03/96/87/383039687.db2.gz LMCMVFGMUAVAEL-NSHDSACASA-N 2 0 272.339 2.548 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423075582 383041570 /nfs/dbraw/zinc/04/15/70/383041570.db2.gz OVRAIONPHLWWKD-GARJFASQSA-N 2 0 252.324 2.838 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423126852 383043879 /nfs/dbraw/zinc/04/38/79/383043879.db2.gz JDTPLHLFWDMVBN-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccn1 ZINC000423150461 383045238 /nfs/dbraw/zinc/04/52/38/383045238.db2.gz ZATGVWHWJMFORZ-DOTOQJQBSA-N 2 0 297.446 2.907 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423187030 383049029 /nfs/dbraw/zinc/04/90/29/383049029.db2.gz KTLWYTGFYBPQFS-ZFWWWQNUSA-N 2 0 266.816 2.990 20 0 CFADRP [NH3+]CCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423192848 383049234 /nfs/dbraw/zinc/04/92/34/383049234.db2.gz VBMAPTLVWPRFQD-LBPRGKRZSA-N 2 0 273.405 2.736 20 0 CFADRP CC(C)C(C[NH+]1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000551804046 383052441 /nfs/dbraw/zinc/05/24/41/383052441.db2.gz MHOJZKSPJUOEKG-UHFFFAOYSA-N 2 0 284.488 2.693 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C23CCC3)C1 ZINC000245948524 383052507 /nfs/dbraw/zinc/05/25/07/383052507.db2.gz WCBLBGCQCLHLMX-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423242068 383052635 /nfs/dbraw/zinc/05/26/35/383052635.db2.gz YGSILNGZSKWIGR-MFNGEMCRSA-N 2 0 262.397 2.622 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423256404 383053019 /nfs/dbraw/zinc/05/30/19/383053019.db2.gz BVVSTKURRGNQNX-MELADBBJSA-N 2 0 264.413 2.632 20 0 CFADRP CC1(C)CCC[NH+]1CCOCC[N@H+]1CCCC1(C)C ZINC000551901865 383054756 /nfs/dbraw/zinc/05/47/56/383054756.db2.gz JKKUCNSBGXOQCD-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@H]1CCOC1 ZINC000423272694 383055069 /nfs/dbraw/zinc/05/50/69/383055069.db2.gz IHQLPUZLKQSSMJ-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423284970 383055335 /nfs/dbraw/zinc/05/53/35/383055335.db2.gz ZCCYPYLBXMEEIZ-SWLSCSKDSA-N 2 0 292.398 2.801 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423278479 383055404 /nfs/dbraw/zinc/05/54/04/383055404.db2.gz RAMAAEYPEPFFDW-IMJJTQAJSA-N 2 0 275.440 2.861 20 0 CFADRP CC[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@@H]1CCOC1 ZINC000423272693 383055726 /nfs/dbraw/zinc/05/57/26/383055726.db2.gz IHQLPUZLKQSSMJ-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423285569 383056921 /nfs/dbraw/zinc/05/69/21/383056921.db2.gz ZPFSBIBMGGJSOW-HZMBPMFUSA-N 2 0 297.240 2.882 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C1(C)C ZINC000423393481 383079490 /nfs/dbraw/zinc/07/94/90/383079490.db2.gz MHVCIVDEHCRZCH-APIJFGDWSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423351013 383059182 /nfs/dbraw/zinc/05/91/82/383059182.db2.gz YJEURIJOEAHHEJ-ZMSDIMECSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCC[NH2+]C1 ZINC000423350346 383059354 /nfs/dbraw/zinc/05/93/54/383059354.db2.gz XLCCFJVZAURLCH-IAGOWNOFSA-N 2 0 274.408 2.749 20 0 CFADRP Cc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CCC2)o1 ZINC000423349827 383060227 /nfs/dbraw/zinc/06/02/27/383060227.db2.gz XQZLQKWGSOSKGJ-MRXNPFEDSA-N 2 0 260.381 2.939 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000423352403 383061385 /nfs/dbraw/zinc/06/13/85/383061385.db2.gz KMTCHQBUSBJGDK-SFHVURJKSA-N 2 0 270.420 2.825 20 0 CFADRP COc1ccccc1C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)C ZINC000423359501 383063373 /nfs/dbraw/zinc/06/33/73/383063373.db2.gz KRZVFZQTBFMFMM-SJORKVTESA-N 2 0 290.451 2.994 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423360423 383063592 /nfs/dbraw/zinc/06/35/92/383063592.db2.gz FMCZWUAOQISOGC-KBMXLJTQSA-N 2 0 261.413 2.652 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423359492 383063729 /nfs/dbraw/zinc/06/37/29/383063729.db2.gz KROYRVVRRVHWTD-DZGCQCFKSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000423365057 383066390 /nfs/dbraw/zinc/06/63/90/383066390.db2.gz CTPGKFQQJNIWOY-CCKFTAQKSA-N 2 0 297.446 2.912 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC[NH2+]1 ZINC000423365843 383066466 /nfs/dbraw/zinc/06/64/66/383066466.db2.gz BZPLIPMGWHMYFH-AHCXZYCDSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCCO2 ZINC000423369109 383067795 /nfs/dbraw/zinc/06/77/95/383067795.db2.gz SJEFNWGODHGOQD-DZGCQCFKSA-N 2 0 290.407 2.641 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000423370243 383068622 /nfs/dbraw/zinc/06/86/22/383068622.db2.gz FJODULKMUVRLBH-IAGOWNOFSA-N 2 0 288.435 2.972 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000423370247 383068918 /nfs/dbraw/zinc/06/89/18/383068918.db2.gz FJODULKMUVRLBH-SJORKVTESA-N 2 0 288.435 2.972 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423396444 383080896 /nfs/dbraw/zinc/08/08/96/383080896.db2.gz NVMQDKKTEXUPON-QWQRMKEZSA-N 2 0 298.434 2.829 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423393999 383080920 /nfs/dbraw/zinc/08/09/20/383080920.db2.gz ZEMGXYPNQGZWCQ-HCKVZZMMSA-N 2 0 278.371 2.552 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423377192 383071051 /nfs/dbraw/zinc/07/10/51/383071051.db2.gz KAPNBTSYNOPKIU-FUCBWJFKSA-N 2 0 288.435 2.917 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423377042 383071222 /nfs/dbraw/zinc/07/12/22/383071222.db2.gz VOYQLTFAHYIXLR-PMPSAXMXSA-N 2 0 290.407 2.784 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423377728 383072130 /nfs/dbraw/zinc/07/21/30/383072130.db2.gz KHBXNKPMERSQHY-MCIONIFRSA-N 2 0 294.439 2.783 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423378507 383072305 /nfs/dbraw/zinc/07/23/05/383072305.db2.gz LDKMMXCZVQOAGB-ZLVKTETGSA-N 2 0 258.409 2.909 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000579979046 383074034 /nfs/dbraw/zinc/07/40/34/383074034.db2.gz OFRCUNOXYZWGTE-TVFCKZIOSA-N 2 0 285.435 2.766 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)CC[NH2+]1 ZINC000423381659 383074795 /nfs/dbraw/zinc/07/47/95/383074795.db2.gz OKRLKOVIMCRZPQ-YRGRVCCFSA-N 2 0 262.422 2.954 20 0 CFADRP Cn1cc(C[NH2+]C2CCC(C[NH3+])CC2)c(-c2ccccc2)n1 ZINC000423026642 383018952 /nfs/dbraw/zinc/01/89/52/383018952.db2.gz BTUMAMSVZSOULL-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000423028927 383019754 /nfs/dbraw/zinc/01/97/54/383019754.db2.gz UBVVMXUQIKZBKU-YPMHNXCESA-N 2 0 281.469 2.700 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(C)(C)C ZINC000423030863 383020243 /nfs/dbraw/zinc/02/02/43/383020243.db2.gz KATKUGDORZFFSC-FRRDWIJNSA-N 2 0 258.475 2.742 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000423032600 383021446 /nfs/dbraw/zinc/02/14/46/383021446.db2.gz FSDDNFRIKVACIM-DMDPSCGWSA-N 2 0 267.442 2.533 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1Cc2ccccc2C1 ZINC000423034807 383022636 /nfs/dbraw/zinc/02/26/36/383022636.db2.gz IKTSONDRTVRHQL-KUHUBIRLSA-N 2 0 280.415 2.702 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC2CCC(C[NH3+])CC2)c1 ZINC000423034107 383022668 /nfs/dbraw/zinc/02/26/68/383022668.db2.gz XIBKKAYWELYFSH-UHFFFAOYSA-N 2 0 275.440 2.986 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423035640 383022770 /nfs/dbraw/zinc/02/27/70/383022770.db2.gz SDYHINKPIWCFMS-BBRMVZONSA-N 2 0 279.403 2.735 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000579495886 383023760 /nfs/dbraw/zinc/02/37/60/383023760.db2.gz PTISKTURKPTCFI-SOVHRIKKSA-N 2 0 270.420 2.895 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423040321 383025367 /nfs/dbraw/zinc/02/53/67/383025367.db2.gz GUNWJEHVADHCTJ-VXGBXAGGSA-N 2 0 299.821 2.775 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423042600 383025977 /nfs/dbraw/zinc/02/59/77/383025977.db2.gz ZTVFVNFLCQRHDX-FZKCQIBNSA-N 2 0 278.371 2.515 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1c(C)cccc1C ZINC000423042283 383026759 /nfs/dbraw/zinc/02/67/59/383026759.db2.gz YXQZFHJKTOYRQZ-HUUCEWRRSA-N 2 0 264.413 2.708 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 ZINC000423044059 383027102 /nfs/dbraw/zinc/02/71/02/383027102.db2.gz APXJSRCIOQWZDW-NKKGCODLSA-N 2 0 272.392 2.678 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC2(OC)CCC2)C1 ZINC000339009162 383119881 /nfs/dbraw/zinc/11/98/81/383119881.db2.gz ALTXOADSHJIPGG-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000246910109 383120267 /nfs/dbraw/zinc/12/02/67/383120267.db2.gz FVLVAUQVLSSEEF-CPUCHLNUSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccnn1C ZINC000423499085 383122565 /nfs/dbraw/zinc/12/25/65/383122565.db2.gz ALKUJOGVHACEQL-HIFRSBDPSA-N 2 0 272.396 2.551 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423498656 383122935 /nfs/dbraw/zinc/12/29/35/383122935.db2.gz HBVZBUISUMJCBU-KBMXLJTQSA-N 2 0 261.413 2.510 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423502224 383124024 /nfs/dbraw/zinc/12/40/24/383124024.db2.gz JVKXYIANPGQUTH-SUNKGSAMSA-N 2 0 278.371 2.539 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCC1=CC[NH2+]CC1)C2 ZINC000423538021 383126494 /nfs/dbraw/zinc/12/64/94/383126494.db2.gz LVILPSXTEFAJAU-MRXNPFEDSA-N 2 0 276.811 2.707 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246975491 383126999 /nfs/dbraw/zinc/12/69/99/383126999.db2.gz JSNNRPUWLWEHBM-JKSUJKDBSA-N 2 0 276.424 2.836 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000247034879 383134758 /nfs/dbraw/zinc/13/47/58/383134758.db2.gz NVAQRVJBWNEJKE-ROUUACIJSA-N 2 0 293.499 2.572 20 0 CFADRP CCC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)[NH+](C)C ZINC000458266091 383146895 /nfs/dbraw/zinc/14/68/95/383146895.db2.gz DDKCHUXMFFNHCM-INIZCTEOSA-N 2 0 291.439 2.725 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000247085463 383141380 /nfs/dbraw/zinc/14/13/80/383141380.db2.gz RFDOOPONAFASED-IIAWOOMASA-N 2 0 276.424 2.786 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423398611 383082027 /nfs/dbraw/zinc/08/20/27/383082027.db2.gz DEBUBTPWCGLOLO-CABCVRRESA-N 2 0 270.461 2.807 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC[NH2+]CC1 ZINC000423397996 383082075 /nfs/dbraw/zinc/08/20/75/383082075.db2.gz COQDZMLPXVZEON-RHSMWYFYSA-N 2 0 288.435 2.841 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423396619 383082206 /nfs/dbraw/zinc/08/22/06/383082206.db2.gz UATHOUHVJOJSHZ-YCPHGPKFSA-N 2 0 261.413 2.695 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000423397775 383082249 /nfs/dbraw/zinc/08/22/49/383082249.db2.gz OMGJKPBBGAOTPU-KCXAZCMYSA-N 2 0 258.409 2.997 20 0 CFADRP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000552406644 383084351 /nfs/dbraw/zinc/08/43/51/383084351.db2.gz HPXISOQZKOXDPE-QAPCUYQASA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423404616 383084553 /nfs/dbraw/zinc/08/45/53/383084553.db2.gz SOHOOJSXNZWIDQ-OZVIIMIRSA-N 2 0 282.378 2.874 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000423407021 383085080 /nfs/dbraw/zinc/08/50/80/383085080.db2.gz LOIOUYURHBQBKS-GFCCVEGCSA-N 2 0 298.377 2.632 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423407952 383086435 /nfs/dbraw/zinc/08/64/35/383086435.db2.gz WQMDGDSGMAPXMY-ZAZJUGBXSA-N 2 0 258.409 2.766 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](Cc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423418941 383090083 /nfs/dbraw/zinc/09/00/83/383090083.db2.gz VJPNMNUNMRWKFT-MSOLQXFVSA-N 2 0 290.451 2.612 20 0 CFADRP c1csc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCC2)c1 ZINC000423424158 383091449 /nfs/dbraw/zinc/09/14/49/383091449.db2.gz FKBKOZKWXCVWCE-MYZSUADSSA-N 2 0 262.422 2.787 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(F)cn1 ZINC000423426076 383091482 /nfs/dbraw/zinc/09/14/82/383091482.db2.gz PBIWZSVHJXXNGC-AVGNSLFASA-N 2 0 295.402 2.645 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000423427021 383091530 /nfs/dbraw/zinc/09/15/30/383091530.db2.gz FMAYJZJTKDLKDF-CZUORRHYSA-N 2 0 291.439 2.615 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)oc1C ZINC000423427052 383091917 /nfs/dbraw/zinc/09/19/17/383091917.db2.gz FOECRXWDDHPRBK-TUKIKUTGSA-N 2 0 262.397 2.935 20 0 CFADRP c1ccc([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423425773 383092054 /nfs/dbraw/zinc/09/20/54/383092054.db2.gz HCMRKSIWHVTBJQ-ZOFXXKQRSA-N 2 0 256.393 2.520 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cnn1C(C)C ZINC000423428513 383092776 /nfs/dbraw/zinc/09/27/76/383092776.db2.gz JGJCUAMQBMNFKV-CHWSQXEVSA-N 2 0 266.433 2.941 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000552922880 383093732 /nfs/dbraw/zinc/09/37/32/383093732.db2.gz XTONZNFFTJEYSF-UHFFFAOYSA-N 2 0 272.436 2.865 20 0 CFADRP C1CC1[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC000423435973 383094640 /nfs/dbraw/zinc/09/46/40/383094640.db2.gz PBJTWHQODMTBMN-BBWFWOEESA-N 2 0 262.441 2.933 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1OC ZINC000423434203 383095112 /nfs/dbraw/zinc/09/51/12/383095112.db2.gz KBDNJNSHVLQUQK-ZJIFWQFVSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444043 383098068 /nfs/dbraw/zinc/09/80/68/383098068.db2.gz WEDQSXZQCYQWJT-TVEHIPJCSA-N 2 0 287.432 2.596 20 0 CFADRP C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423446069 383098641 /nfs/dbraw/zinc/09/86/41/383098641.db2.gz SKZPUGWPVZFWPQ-NZBPQXDJSA-N 2 0 250.430 2.789 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247106833 383144292 /nfs/dbraw/zinc/14/42/92/383144292.db2.gz QGNWAESGZFYEIF-YOEHRIQHSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1C(C)C ZINC000423451248 383100882 /nfs/dbraw/zinc/10/08/82/383100882.db2.gz IHDHLXMSMJERIA-NEPJUHHUSA-N 2 0 252.406 2.550 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423455613 383102148 /nfs/dbraw/zinc/10/21/48/383102148.db2.gz CTHURCWTIXDUDB-NDBYEHHHSA-N 2 0 280.412 2.521 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000423455414 383102221 /nfs/dbraw/zinc/10/22/21/383102221.db2.gz FBLNDFMKISGTTN-YNEHKIRRSA-N 2 0 250.361 2.994 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1Cl ZINC000423456475 383103019 /nfs/dbraw/zinc/10/30/19/383103019.db2.gz NRNLKFFZZLFLRW-VHSXEESVSA-N 2 0 271.792 2.522 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423458194 383103059 /nfs/dbraw/zinc/10/30/59/383103059.db2.gz GPWVKAUVQXOCFW-APYUEPQZSA-N 2 0 296.842 2.755 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423459185 383103255 /nfs/dbraw/zinc/10/32/55/383103255.db2.gz QXFDIKNTTUXWAC-IUODEOHRSA-N 2 0 264.438 2.734 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000423462787 383105448 /nfs/dbraw/zinc/10/54/48/383105448.db2.gz PLWQHKKVAMRJCA-OUCADQQQSA-N 2 0 276.380 2.583 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000423469077 383106864 /nfs/dbraw/zinc/10/68/64/383106864.db2.gz YKFRFDSGNKPLBM-MFKMUULPSA-N 2 0 266.360 2.539 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000423469075 383107227 /nfs/dbraw/zinc/10/72/27/383107227.db2.gz YKFRFDSGNKPLBM-GXFFZTMASA-N 2 0 266.360 2.539 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423470405 383108136 /nfs/dbraw/zinc/10/81/36/383108136.db2.gz PHSLPLJZTWMIQQ-MFKMUULPSA-N 2 0 256.340 2.613 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423473813 383109236 /nfs/dbraw/zinc/10/92/36/383109236.db2.gz OGFMFKJATKYBGC-YDHLFZDLSA-N 2 0 261.413 2.812 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423474518 383110618 /nfs/dbraw/zinc/11/06/18/383110618.db2.gz HLGVOQWDAWAHDF-QLFBSQMISA-N 2 0 268.445 2.700 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000423477474 383112021 /nfs/dbraw/zinc/11/20/21/383112021.db2.gz JZKIIVDTGUKAMF-KBPBESRZSA-N 2 0 292.423 2.887 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423480395 383112721 /nfs/dbraw/zinc/11/27/21/383112721.db2.gz WAERJCVDOYKGEX-SDDRHHMPSA-N 2 0 268.426 2.925 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423482111 383113864 /nfs/dbraw/zinc/11/38/64/383113864.db2.gz OUEVXWSJGSUYCS-UKRRQHHQSA-N 2 0 262.397 2.878 20 0 CFADRP CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423483988 383115018 /nfs/dbraw/zinc/11/50/18/383115018.db2.gz QOMDMAUPTBLHMZ-KGLIPLIRSA-N 2 0 265.376 2.794 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423485438 383115254 /nfs/dbraw/zinc/11/52/54/383115254.db2.gz RPISJXDJQWLHNO-BBRMVZONSA-N 2 0 274.408 2.804 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247115729 383145228 /nfs/dbraw/zinc/14/52/28/383145228.db2.gz UEERETGLDYSLDS-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423483990 383115620 /nfs/dbraw/zinc/11/56/20/383115620.db2.gz QOMDMAUPTBLHMZ-ZIAGYGMSSA-N 2 0 265.376 2.794 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423487419 383116831 /nfs/dbraw/zinc/11/68/31/383116831.db2.gz UHWPZBZJXKLVDD-DZGCQCFKSA-N 2 0 262.397 2.878 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423490319 383118960 /nfs/dbraw/zinc/11/89/60/383118960.db2.gz HTXHTFHHQIIRQG-QZTJIDSGSA-N 2 0 290.451 2.530 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423491636 383119123 /nfs/dbraw/zinc/11/91/23/383119123.db2.gz KDFFSJODRVXRMB-GUTXKFCHSA-N 2 0 262.397 2.863 20 0 CFADRP CCC(CC)(C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424073353 383174798 /nfs/dbraw/zinc/17/47/98/383174798.db2.gz FFRAUJSUSIDOAK-HNNXBMFYSA-N 2 0 297.487 2.698 20 0 CFADRP FC(F)c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000517326713 383176690 /nfs/dbraw/zinc/17/66/90/383176690.db2.gz PVMNVFXYEJNSNC-GFCCVEGCSA-N 2 0 254.324 2.713 20 0 CFADRP CCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449127408 383179816 /nfs/dbraw/zinc/17/98/16/383179816.db2.gz WMTQOFXOZQADIB-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449127159 383179969 /nfs/dbraw/zinc/17/99/69/383179969.db2.gz WMTQOFXOZQADIB-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CCc1nocc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000339186700 383181347 /nfs/dbraw/zinc/18/13/47/383181347.db2.gz JUCVKYIRSFFIGW-UHFFFAOYSA-N 2 0 296.374 2.772 20 0 CFADRP Cc1cc(Cl)cc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000339185781 383181487 /nfs/dbraw/zinc/18/14/87/383181487.db2.gz YXVAGVCFOWIGNW-UHFFFAOYSA-N 2 0 296.842 2.850 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000566564902 383188690 /nfs/dbraw/zinc/18/86/90/383188690.db2.gz ZFAQRBKRKFNLDX-GJZGRUSLSA-N 2 0 297.402 2.691 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CNCc2cncn2C(C)C)C1 ZINC000424154153 383192169 /nfs/dbraw/zinc/19/21/69/383192169.db2.gz JECXJTXWSNGPJF-INIZCTEOSA-N 2 0 292.471 2.922 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000566614304 383193414 /nfs/dbraw/zinc/19/34/14/383193414.db2.gz BTVOIYPABLFNSL-GOSISDBHSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000449281688 383198585 /nfs/dbraw/zinc/19/85/85/383198585.db2.gz DCWAMFPVPQZNEK-CQSZACIVSA-N 2 0 264.413 2.922 20 0 CFADRP CCCN(C)[C@@H](C[NH2+]C[C@H](C)O)c1ccc(Cl)cc1 ZINC000518520440 383200377 /nfs/dbraw/zinc/20/03/77/383200377.db2.gz NIFQFCLEBOUSSA-WFASDCNBSA-N 2 0 284.831 2.693 20 0 CFADRP CCCN(C)[C@H](C[NH2+]C[C@H](C)O)c1ccc(Cl)cc1 ZINC000518520439 383200986 /nfs/dbraw/zinc/20/09/86/383200986.db2.gz NIFQFCLEBOUSSA-SWLSCSKDSA-N 2 0 284.831 2.693 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424291944 383202706 /nfs/dbraw/zinc/20/27/06/383202706.db2.gz MNQQOVKTENAQNX-DMVVEVTLSA-N 2 0 250.430 2.741 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247171066 383150007 /nfs/dbraw/zinc/15/00/07/383150007.db2.gz UQUXGWAXLGLXBF-GRDNDAEWSA-N 2 0 276.424 2.651 20 0 CFADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC2)CC1 ZINC000449068691 383159790 /nfs/dbraw/zinc/15/97/90/383159790.db2.gz UJRYKHRREQWQNN-CQSZACIVSA-N 2 0 258.409 2.834 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449080030 383165631 /nfs/dbraw/zinc/16/56/31/383165631.db2.gz SAWJOFSRLADGOL-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449377454 383247800 /nfs/dbraw/zinc/24/78/00/383247800.db2.gz AFBPPQSRYZUESN-JHJVBQTASA-N 2 0 294.361 2.560 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2[nH]cnc2c1)C[NH+]1CCCCC1 ZINC000520201698 383251387 /nfs/dbraw/zinc/25/13/87/383251387.db2.gz BDDDDOCANHCJEA-AWEZNQCLSA-N 2 0 286.423 2.775 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449383566 383253074 /nfs/dbraw/zinc/25/30/74/383253074.db2.gz IIUSMTNYJIBZRU-BZSNNMDCSA-N 2 0 293.499 2.713 20 0 CFADRP c1ccc(CC2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000248566064 383261270 /nfs/dbraw/zinc/26/12/70/383261270.db2.gz OYCHWZNPTQABJK-IRXDYDNUSA-N 2 0 270.420 2.978 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000567462472 383277152 /nfs/dbraw/zinc/27/71/52/383277152.db2.gz ARRYBIGBEOEMAL-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000519420499 383215294 /nfs/dbraw/zinc/21/52/94/383215294.db2.gz HDFMXBASQLSEKB-HZPDHXFCSA-N 2 0 298.858 2.939 20 0 CFADRP Cc1ncccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496862 383216104 /nfs/dbraw/zinc/21/61/04/383216104.db2.gz FGXANEBOKKEDFK-UHFFFAOYSA-N 2 0 261.413 2.746 20 0 CFADRP CCn1nc(C)c(C[NH2+]CCCCC[NH+]2CCCC2)c1C ZINC000339498966 383217154 /nfs/dbraw/zinc/21/71/54/383217154.db2.gz XANFGTHOTCHIMN-UHFFFAOYSA-N 2 0 292.471 2.876 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3cccnc3o2)C1 ZINC000449327876 383219332 /nfs/dbraw/zinc/21/93/32/383219332.db2.gz DGUVEOQUPMWZPL-GOEBONIOSA-N 2 0 285.391 2.744 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2COc3cc(F)ccc3C2)CC1 ZINC000566864893 383220125 /nfs/dbraw/zinc/22/01/25/383220125.db2.gz PLTKFYOBMOZXDM-INIZCTEOSA-N 2 0 292.398 2.593 20 0 CFADRP C(COCC1CCC1)[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000519539118 383222911 /nfs/dbraw/zinc/22/29/11/383222911.db2.gz LAGUYNSWCHNJSW-ZACQAIPSSA-N 2 0 280.456 2.704 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4ccoc43)C2)C1 ZINC000449341632 383228108 /nfs/dbraw/zinc/22/81/08/383228108.db2.gz VFDSEVIEUCIRJI-QGZVFWFLSA-N 2 0 270.376 2.960 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000519595437 383228830 /nfs/dbraw/zinc/22/88/30/383228830.db2.gz FMTUVBHEGILRNH-STQMWFEESA-N 2 0 250.386 2.691 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000567104444 383241116 /nfs/dbraw/zinc/24/11/16/383241116.db2.gz NLYGDMRUQLBECX-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000567915243 383330841 /nfs/dbraw/zinc/33/08/41/383330841.db2.gz LVXHYWDXGLHBDF-RYUDHWBXSA-N 2 0 268.788 2.578 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732277 383333847 /nfs/dbraw/zinc/33/38/47/383333847.db2.gz CAGBKWQNMRPDFA-OAHLLOKOSA-N 2 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000634732881 383335115 /nfs/dbraw/zinc/33/51/15/383335115.db2.gz RDPKGKLJCUKKQG-LSDHHAIUSA-N 2 0 288.435 2.921 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734121 383337014 /nfs/dbraw/zinc/33/70/14/383337014.db2.gz XLIOEKSORIVNTL-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000249413032 383344445 /nfs/dbraw/zinc/34/44/45/383344445.db2.gz FVBOGNAZQURBEJ-PMPSAXMXSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248722596 383283531 /nfs/dbraw/zinc/28/35/31/383283531.db2.gz GBKFSVFIPLRWRF-WCXIOVBPSA-N 2 0 292.467 2.654 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000567604295 383291508 /nfs/dbraw/zinc/29/15/08/383291508.db2.gz MXJCZKBQPZMHMR-DCVCUPEFSA-N 2 0 289.398 2.777 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000248810655 383292013 /nfs/dbraw/zinc/29/20/13/383292013.db2.gz CKCUPFWWWIWQAV-BBRMVZONSA-N 2 0 274.408 2.844 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000449439226 383293958 /nfs/dbraw/zinc/29/39/58/383293958.db2.gz ULYUTMUFUUXCQZ-HYVNUMGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449440515 383295402 /nfs/dbraw/zinc/29/54/02/383295402.db2.gz ZWPKPPYMNHVRCI-BPQIPLTHSA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000521442845 383296087 /nfs/dbraw/zinc/29/60/87/383296087.db2.gz UAIDEZJPDKYGBY-HNNXBMFYSA-N 2 0 261.413 2.682 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC([NH+](C)C)C2)C1 ZINC000521461231 383297619 /nfs/dbraw/zinc/29/76/19/383297619.db2.gz ZGQJRRVQLYLKKY-WSDZMALLSA-N 2 0 287.451 2.504 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000567645855 383297996 /nfs/dbraw/zinc/29/79/96/383297996.db2.gz FIYVZJRVJBCKEU-UHFFFAOYSA-N 2 0 288.435 2.841 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000567654836 383298685 /nfs/dbraw/zinc/29/86/85/383298685.db2.gz NWIRXDPZDQDKFO-IUODEOHRSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000567677321 383300356 /nfs/dbraw/zinc/30/03/56/383300356.db2.gz QCIHEKCJGLXIKG-JYJNAYRXSA-N 2 0 290.451 2.920 20 0 CFADRP CCc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000568029957 383347830 /nfs/dbraw/zinc/34/78/30/383347830.db2.gz BYGYUQYCWFPMIY-GOSISDBHSA-N 2 0 290.451 2.576 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCOC(C)(C)C2)CCCC1 ZINC000634683392 383313036 /nfs/dbraw/zinc/31/30/36/383313036.db2.gz QKAHEUSKLNNWKD-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684918 383314581 /nfs/dbraw/zinc/31/45/81/383314581.db2.gz BURUAXIVOIXKPN-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000249019320 383317807 /nfs/dbraw/zinc/31/78/07/383317807.db2.gz JVDGKGWNVRCTTN-QZTJIDSGSA-N 2 0 293.499 2.667 20 0 CFADRP c1cnc2cccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000634687190 383318991 /nfs/dbraw/zinc/31/89/91/383318991.db2.gz AWDPRIHZSDCZIT-CABCVRRESA-N 2 0 267.376 2.561 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634687679 383320021 /nfs/dbraw/zinc/32/00/21/383320021.db2.gz UXAFNGNEZYZJOU-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449480861 383321901 /nfs/dbraw/zinc/32/19/01/383321901.db2.gz PLGONQMWENMEGI-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cs2)[C@@H](C)C1 ZINC000449481265 383322067 /nfs/dbraw/zinc/32/20/67/383322067.db2.gz RVOIETFETBZMOS-GXTWGEPZSA-N 2 0 252.427 2.876 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000249062740 383323408 /nfs/dbraw/zinc/32/34/08/383323408.db2.gz JSUQJOVAABMEPT-WBVHZDCISA-N 2 0 282.472 2.998 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C1 ZINC000568295016 383389530 /nfs/dbraw/zinc/38/95/30/383389530.db2.gz MKXJWYGOUAWWMD-UONOGXRCSA-N 2 0 275.371 2.709 20 0 CFADRP C[C@@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000568380695 383395987 /nfs/dbraw/zinc/39/59/87/383395987.db2.gz RLHFLSXMZGXORR-DAXOMENPSA-N 2 0 295.858 2.673 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000568381399 383396466 /nfs/dbraw/zinc/39/64/66/383396466.db2.gz GVYZZXFIDLMRGA-HIFRSBDPSA-N 2 0 298.377 2.938 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@]2(C)CCCO2)CC1 ZINC000340285222 383404383 /nfs/dbraw/zinc/40/43/83/383404383.db2.gz NZMCRAGOVIDBTE-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CS1 ZINC000252178067 383406191 /nfs/dbraw/zinc/40/61/91/383406191.db2.gz PKMLQRFKOHIWBH-MGPQQGTHSA-N 2 0 256.459 2.735 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000568512306 383409592 /nfs/dbraw/zinc/40/95/92/383409592.db2.gz WGNWXFXVUAHSDB-HNNXBMFYSA-N 2 0 256.349 2.906 20 0 CFADRP C[C@@H]1CC(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)C1 ZINC000479747820 383412538 /nfs/dbraw/zinc/41/25/38/383412538.db2.gz CYUHCUMGAPEYSE-DARAHFNDSA-N 2 0 250.430 2.600 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000249724733 383357678 /nfs/dbraw/zinc/35/76/78/383357678.db2.gz JCCNFQHTLTVZMZ-HLLBOEOZSA-N 2 0 260.425 2.856 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccncc1Cl ZINC000568102417 383358219 /nfs/dbraw/zinc/35/82/19/383358219.db2.gz RUNRGGPWWWRLHJ-NXEZZACHSA-N 2 0 276.771 2.666 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](CC)C[C@H]1C ZINC000469201341 383366540 /nfs/dbraw/zinc/36/65/40/383366540.db2.gz BTVVDZWMSMVOKT-KURKYZTESA-N 2 0 295.515 2.961 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250107584 383370895 /nfs/dbraw/zinc/37/08/95/383370895.db2.gz SHPXXAIZGWTWJK-KGLIPLIRSA-N 2 0 270.486 2.840 20 0 CFADRP Fc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250095570 383371206 /nfs/dbraw/zinc/37/12/06/383371206.db2.gz ZTJUYNPBGKHAFQ-CABCVRRESA-N 2 0 262.372 2.585 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCCO3)C2)CC1 ZINC000250289755 383374245 /nfs/dbraw/zinc/37/42/45/383374245.db2.gz PUTFRVGKVNYXRC-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)CCc1ccccc1 ZINC000469996041 383375055 /nfs/dbraw/zinc/37/50/55/383375055.db2.gz IIIOYTGYLFQKQG-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000425362686 383376266 /nfs/dbraw/zinc/37/62/66/383376266.db2.gz VNNIMHWVOSFCOA-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP c1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250532681 383376920 /nfs/dbraw/zinc/37/69/20/383376920.db2.gz GXGZCUOZEZLLIN-HOTGVXAUSA-N 2 0 274.408 2.672 20 0 CFADRP Fc1cc(F)cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250767890 383380011 /nfs/dbraw/zinc/38/00/11/383380011.db2.gz XPACBUJBEGKAMD-HOTGVXAUSA-N 2 0 280.362 2.724 20 0 CFADRP FC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250832321 383381364 /nfs/dbraw/zinc/38/13/64/383381364.db2.gz JOVYDYVKBNDJIW-IJLUTSLNSA-N 2 0 264.335 2.839 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425547113 383384133 /nfs/dbraw/zinc/38/41/33/383384133.db2.gz FKWVDEYYEPFAKR-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP C(COC1CCCC1)[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251074262 383384513 /nfs/dbraw/zinc/38/45/13/383384513.db2.gz GDOQWWKYOQYNTP-ZACQAIPSSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000474727033 383384525 /nfs/dbraw/zinc/38/45/25/383384525.db2.gz QIZCILFYOUCYRY-ULQDDVLXSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)CN1CC[NH+](C)CC1 ZINC000340227734 383385469 /nfs/dbraw/zinc/38/54/69/383385469.db2.gz BRPWFRIWCBYWGM-IAGOWNOFSA-N 2 0 293.499 2.572 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000251227507 383386582 /nfs/dbraw/zinc/38/65/82/383386582.db2.gz ADGAYEWLPBBTLA-NEPJUHHUSA-N 2 0 284.350 2.890 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cn[nH]c1 ZINC000340461642 383425856 /nfs/dbraw/zinc/42/58/56/383425856.db2.gz KRFAZMKXACTXGC-CQSZACIVSA-N 2 0 264.417 2.572 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000252696338 383428475 /nfs/dbraw/zinc/42/84/75/383428475.db2.gz ZIEGPPSCFCTDQC-OIISXLGYSA-N 2 0 282.472 2.780 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000568749183 383432181 /nfs/dbraw/zinc/43/21/81/383432181.db2.gz YSXZIBAQRNYQMF-HOTGVXAUSA-N 2 0 296.370 2.692 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340473647 383433352 /nfs/dbraw/zinc/43/33/52/383433352.db2.gz JTFDYHBWJOKDGJ-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000340475072 383434106 /nfs/dbraw/zinc/43/41/06/383434106.db2.gz KGMVYLWCVWYQPX-BZSNNMDCSA-N 3 0 293.499 2.715 20 0 CFADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1nccn1C ZINC000340478001 383435704 /nfs/dbraw/zinc/43/57/04/383435704.db2.gz PHLUXKWCYGFNBS-OAHLLOKOSA-N 2 0 278.444 2.727 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842360 383437205 /nfs/dbraw/zinc/43/72/05/383437205.db2.gz CMXSNGXPORUWOK-XTBFLFJDSA-N 2 0 262.372 2.946 20 0 CFADRP Cc1ccncc1CCC[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000568822641 383438615 /nfs/dbraw/zinc/43/86/15/383438615.db2.gz MDBIRLFJXWOZQY-UHFFFAOYSA-N 2 0 294.402 2.999 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252893890 383438889 /nfs/dbraw/zinc/43/88/89/383438889.db2.gz RWFUNYOFMWSCLR-CJNGLKHVSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1CC[N@H+](CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000253176518 383446583 /nfs/dbraw/zinc/44/65/83/383446583.db2.gz AALGUAWXLXAOLK-UONOGXRCSA-N 2 0 264.438 2.695 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000568882802 383446812 /nfs/dbraw/zinc/44/68/12/383446812.db2.gz DLHBYILBDBMOTA-SEUFLZDSSA-N 2 0 254.324 2.693 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253197307 383447815 /nfs/dbraw/zinc/44/78/15/383447815.db2.gz URJISRFSOSBQBU-VNHYZAJKSA-N 2 0 262.397 2.673 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)n2)cc1 ZINC000634995538 383450738 /nfs/dbraw/zinc/45/07/38/383450738.db2.gz HWBHJAVVOFDCNE-CJNGLKHVSA-N 2 0 296.418 2.548 20 0 CFADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000634996006 383451108 /nfs/dbraw/zinc/45/11/08/383451108.db2.gz WGLAJSGXEXXSAN-SWLSCSKDSA-N 2 0 291.439 2.692 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+]CCC3(C[NH3+])CC3)n2)cc1 ZINC000634996710 383452117 /nfs/dbraw/zinc/45/21/17/383452117.db2.gz RJQXEUBAFWJJPM-UHFFFAOYSA-N 2 0 296.418 2.549 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000634998656 383453872 /nfs/dbraw/zinc/45/38/72/383453872.db2.gz JDLDLSVHCAXERK-IAGOWNOFSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)C[C@H]1C[NH3+] ZINC000634999137 383454608 /nfs/dbraw/zinc/45/46/08/383454608.db2.gz QMPAJPVFJVWGDG-CZUORRHYSA-N 2 0 274.408 2.502 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(Cc3nccs3)CC2)CC[NH2+]1 ZINC000634999216 383454932 /nfs/dbraw/zinc/45/49/32/383454932.db2.gz RHRVNSSRXYXXMS-HIFRSBDPSA-N 2 0 293.480 2.786 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(Cc3nccs3)CC2)CC[NH2+]1 ZINC000634999215 383455383 /nfs/dbraw/zinc/45/53/83/383455383.db2.gz RHRVNSSRXYXXMS-DZGCQCFKSA-N 2 0 293.480 2.786 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1C[NH3+] ZINC000634999271 383455386 /nfs/dbraw/zinc/45/53/86/383455386.db2.gz RVDMUHACKBWGIC-WCQYABFASA-N 2 0 260.406 2.928 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000484287879 383455895 /nfs/dbraw/zinc/45/58/95/383455895.db2.gz CYYLRJGWMFPWKU-XLAORIBOSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000635001853 383458342 /nfs/dbraw/zinc/45/83/42/383458342.db2.gz HKMRHXPRHHDVHE-RUXDESIVSA-N 2 0 254.324 2.696 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H](CF)c2ccc(F)cc2)CC[NH2+]1 ZINC000635002770 383458467 /nfs/dbraw/zinc/45/84/67/383458467.db2.gz ZGFSCZFGHATDSJ-LALPHHSUSA-N 2 0 268.351 2.814 20 0 CFADRP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccncc1 ZINC000635002998 383459200 /nfs/dbraw/zinc/45/92/00/383459200.db2.gz DJSDUBNFSQSWJW-GOSISDBHSA-N 2 0 281.403 2.968 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000635003254 383459334 /nfs/dbraw/zinc/45/93/34/383459334.db2.gz HMLJEHCPSORMLB-DRABBMOASA-N 2 0 282.815 2.885 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000635003706 383460001 /nfs/dbraw/zinc/46/00/01/383460001.db2.gz AZZYQMFWAXBRRC-MWDXBVQZSA-N 3 0 293.499 2.665 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000635003140 383460051 /nfs/dbraw/zinc/46/00/51/383460051.db2.gz ABOKUVPRCYFNET-BPLDGKMQSA-N 2 0 291.443 2.533 20 0 CFADRP [NH3+][C@@H](CC[NH2+]C(C1CC1)C1CC1)Cc1ccccc1 ZINC000635003910 383460063 /nfs/dbraw/zinc/46/00/63/383460063.db2.gz BSDLOTBJNNOXCL-INIZCTEOSA-N 2 0 258.409 2.725 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005006 383460919 /nfs/dbraw/zinc/46/09/19/383460919.db2.gz LHMIAMUYAJVGHL-NXNVCVFFSA-N 2 0 276.424 2.870 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000635005753 383461858 /nfs/dbraw/zinc/46/18/58/383461858.db2.gz JVXITOLSUQIZIV-YESZJQIVSA-N 2 0 290.451 2.740 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000635005751 383462075 /nfs/dbraw/zinc/46/20/75/383462075.db2.gz JVXITOLSUQIZIV-GVDBMIGSSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)COC2 ZINC000635005693 383462316 /nfs/dbraw/zinc/46/23/16/383462316.db2.gz KBUVZARXUSHOEZ-DCGLDWPTSA-N 2 0 274.408 2.885 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635005323 383462397 /nfs/dbraw/zinc/46/23/97/383462397.db2.gz HLTQATHWHYLKQF-YSVLISHTSA-N 2 0 273.424 2.835 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005279 383462507 /nfs/dbraw/zinc/46/25/07/383462507.db2.gz IUKCAQSKDBDXBO-NOLJZWGESA-N 2 0 264.388 2.864 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000340535471 383463096 /nfs/dbraw/zinc/46/30/96/383463096.db2.gz NOZFMKPZKVKPJH-ZNMIVQPWSA-N 2 0 295.427 2.523 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635006536 383463212 /nfs/dbraw/zinc/46/32/12/383463212.db2.gz YZASOHLVIGWBEU-RBZYPMLTSA-N 2 0 288.794 2.618 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(CO)c1 ZINC000635007143 383463359 /nfs/dbraw/zinc/46/33/59/383463359.db2.gz AFRCHJAHNBOXRW-CJNGLKHVSA-N 2 0 276.424 2.608 20 0 CFADRP CC(C)(F)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635006285 383463425 /nfs/dbraw/zinc/46/34/25/383463425.db2.gz YCEMQGPZJCMQEB-CJNGLKHVSA-N 2 0 278.371 2.580 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007826 383464277 /nfs/dbraw/zinc/46/42/77/383464277.db2.gz BMTHMEIXKPJEIH-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635008742 383464343 /nfs/dbraw/zinc/46/43/43/383464343.db2.gz SRLYSUGECMUNGM-GOEBONIOSA-N 2 0 269.392 2.692 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccoc1 ZINC000635009471 383465421 /nfs/dbraw/zinc/46/54/21/383465421.db2.gz VMYGGSWRUYPVNJ-XJKSGUPXSA-N 2 0 258.365 2.890 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000635008950 383465912 /nfs/dbraw/zinc/46/59/12/383465912.db2.gz FQGBIAHWWQUUPC-ZNMIVQPWSA-N 2 0 250.430 2.933 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000635009312 383466101 /nfs/dbraw/zinc/46/61/01/383466101.db2.gz UPCARKFELGYZSJ-PBHICJAKSA-N 2 0 286.423 2.514 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635010621 383466893 /nfs/dbraw/zinc/46/68/93/383466893.db2.gz ASNNGIVGAUXLAE-WFASDCNBSA-N 2 0 257.381 2.775 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(O)c1 ZINC000635011115 383467031 /nfs/dbraw/zinc/46/70/31/383467031.db2.gz MGXJGHMSNYERBL-OCCSQVGLSA-N 2 0 262.397 2.821 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635010734 383467047 /nfs/dbraw/zinc/46/70/47/383467047.db2.gz AUEHJZSMUAEFOO-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013523 383469090 /nfs/dbraw/zinc/46/90/90/383469090.db2.gz YYJHYISEOHJDNO-KGLIPLIRSA-N 2 0 264.413 2.969 20 0 CFADRP c1cnc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000635016551 383471852 /nfs/dbraw/zinc/47/18/52/383471852.db2.gz CPXOTPCAUFLPAK-BRWVUGGUSA-N 2 0 281.403 2.713 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000635024502 383474976 /nfs/dbraw/zinc/47/49/76/383474976.db2.gz ZCPCWQYYXWQCQW-GFCCVEGCSA-N 2 0 256.349 2.776 20 0 CFADRP Cc1scc(C[NH2+]C2CCC(C[NH3+])CC2)c1C ZINC000635024427 383475061 /nfs/dbraw/zinc/47/50/61/383475061.db2.gz XWIZMIXEBBOPSD-UHFFFAOYSA-N 2 0 252.427 2.972 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]n1 ZINC000569211793 383476861 /nfs/dbraw/zinc/47/68/61/383476861.db2.gz HTGGULYMBAVFMQ-YDHLFZDLSA-N 2 0 278.444 2.550 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)[nH]n1 ZINC000569211791 383477098 /nfs/dbraw/zinc/47/70/98/383477098.db2.gz HTGGULYMBAVFMQ-KCQAQPDRSA-N 2 0 278.444 2.550 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](C)N(C)C2CC2)CS1 ZINC000488462957 383546280 /nfs/dbraw/zinc/54/62/80/383546280.db2.gz MDWZGAZGGHUXJJ-SCRDCRAPSA-N 2 0 256.459 2.589 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[C@@H]1C ZINC000488002693 383486161 /nfs/dbraw/zinc/48/61/61/383486161.db2.gz ZCGZPESXHBZNGU-HRCADAONSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000569914377 383549626 /nfs/dbraw/zinc/54/96/26/383549626.db2.gz LDVMUVHAVCLFJW-INIZCTEOSA-N 2 0 296.842 2.885 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000569918697 383549725 /nfs/dbraw/zinc/54/97/25/383549725.db2.gz HSJWQHSYSKRLTJ-CYBMUJFWSA-N 2 0 294.439 2.532 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000569352034 383491802 /nfs/dbraw/zinc/49/18/02/383491802.db2.gz TXISSDORCLCFQE-HIFRSBDPSA-N 2 0 290.407 2.738 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1C ZINC000488073103 383493569 /nfs/dbraw/zinc/49/35/69/383493569.db2.gz LJDZZAQIMSFIHZ-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP CN(Cc1ccc(F)cc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261730991 383550052 /nfs/dbraw/zinc/55/00/52/383550052.db2.gz HCVUWBRYMTWOED-CQSZACIVSA-N 2 0 270.779 2.911 20 0 CFADRP C/C(Cl)=C/C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000528349604 383498604 /nfs/dbraw/zinc/49/86/04/383498604.db2.gz IFYQTHMPQJNKTR-PQMHYQBVSA-N 2 0 256.821 2.937 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000259181891 383501181 /nfs/dbraw/zinc/50/11/81/383501181.db2.gz ZFBLQGRCJHUDJL-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CCOC(=O)CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000260174472 383504648 /nfs/dbraw/zinc/50/46/48/383504648.db2.gz TZXJFKZDCAFQNA-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000261552520 383510173 /nfs/dbraw/zinc/51/01/73/383510173.db2.gz MYYSOQNHDJEBRK-CYBMUJFWSA-N 2 0 297.240 2.927 20 0 CFADRP CC1(C)CC(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000528387382 383513050 /nfs/dbraw/zinc/51/30/50/383513050.db2.gz MTYMTZSWVQPTQZ-AWEZNQCLSA-N 2 0 250.430 2.840 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261744266 383550956 /nfs/dbraw/zinc/55/09/56/383550956.db2.gz IZIXRMVCSQBLIV-DOTOQJQBSA-N 2 0 274.408 2.832 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000261585410 383520998 /nfs/dbraw/zinc/52/09/98/383520998.db2.gz IKMJEXCQKOABKT-WBVHZDCISA-N 2 0 258.409 2.796 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000528403207 383522685 /nfs/dbraw/zinc/52/26/85/383522685.db2.gz CEXGMIIPAZOXEI-HUUCEWRRSA-N 2 0 250.430 2.839 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000569654091 383522698 /nfs/dbraw/zinc/52/26/98/383522698.db2.gz XSGUYXJXPZRZHE-DDBAPUKQSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429400973 383527959 /nfs/dbraw/zinc/52/79/59/383527959.db2.gz FBQOUZXOSSNEPL-IAGOWNOFSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000261618456 383529680 /nfs/dbraw/zinc/52/96/80/383529680.db2.gz BYLRAZKGJZPTTK-HNNXBMFYSA-N 2 0 262.328 2.743 20 0 CFADRP [NH3+]C1(c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)CCC1 ZINC000261634469 383532979 /nfs/dbraw/zinc/53/29/79/383532979.db2.gz CTGKPAPZFNRSQW-UHFFFAOYSA-N 2 0 298.390 2.670 20 0 CFADRP CC(C)C1CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000488420821 383533861 /nfs/dbraw/zinc/53/38/61/383533861.db2.gz MJATUGOSGPEKIX-SYNTWQANSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000261644343 383535877 /nfs/dbraw/zinc/53/58/77/383535877.db2.gz AODACJLUHNBHKO-HIFRSBDPSA-N 2 0 264.438 2.589 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000488434116 383537826 /nfs/dbraw/zinc/53/78/26/383537826.db2.gz OODUBINJVIHVDZ-CVEARBPZSA-N 2 0 282.497 2.981 20 0 CFADRP Fc1cccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000261654286 383538682 /nfs/dbraw/zinc/53/86/82/383538682.db2.gz BGVRFAQIPMRJPP-DZGCQCFKSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@@]1(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000261684067 383541677 /nfs/dbraw/zinc/54/16/77/383541677.db2.gz ABJJAJIPFLDERB-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP c1nc(CN2CC[C@@]3(CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000261688511 383541804 /nfs/dbraw/zinc/54/18/04/383541804.db2.gz ASYXYYYVTORKIE-QGZVFWFLSA-N 2 0 299.443 2.996 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCSCCOC)C[C@@H]1C ZINC000488452721 383543717 /nfs/dbraw/zinc/54/37/17/383543717.db2.gz BBGDYUYEZFQPBZ-LSDHHAIUSA-N 2 0 288.501 2.561 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000488452143 383544173 /nfs/dbraw/zinc/54/41/73/383544173.db2.gz AREXPNJTDWJZHP-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP CCCc1csc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000430919426 383611173 /nfs/dbraw/zinc/61/11/73/383611173.db2.gz QJQODPVUVDAQHH-UHFFFAOYSA-N 2 0 279.453 2.671 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261893553 383577207 /nfs/dbraw/zinc/57/72/07/383577207.db2.gz UJKZOUNNAWSUDE-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP C[NH2+]C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261917221 383579165 /nfs/dbraw/zinc/57/91/65/383579165.db2.gz JXZJUNRAJQVAED-LBPRGKRZSA-N 2 0 290.436 2.570 20 0 CFADRP C[C@]1(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC[NH2+]C1 ZINC000261916489 383579514 /nfs/dbraw/zinc/57/95/14/383579514.db2.gz ZOQUJUWBYKCSLA-SFHVURJKSA-N 2 0 298.434 2.742 20 0 CFADRP C[C@]1(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]C1 ZINC000261921303 383579931 /nfs/dbraw/zinc/57/99/31/383579931.db2.gz BRBZVHKPMDFOBW-ROUUACIJSA-N 3 0 293.499 2.574 20 0 CFADRP Clc1cccnc1C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261924161 383580678 /nfs/dbraw/zinc/58/06/78/383580678.db2.gz KWOYNYVSLPXDBZ-ZDUSSCGKSA-N 2 0 293.842 2.914 20 0 CFADRP C[C@]1(C[N@H+](CCc2cccc(F)c2)C2CC2)CC[NH2+]C1 ZINC000261926604 383581249 /nfs/dbraw/zinc/58/12/49/383581249.db2.gz CFTQBDUKDFWPKG-KRWDZBQOSA-N 2 0 276.399 2.832 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)Nc1nc2ccccc2n1C ZINC000341141250 383581482 /nfs/dbraw/zinc/58/14/82/383581482.db2.gz PEESBXKDLKJEIZ-ZDUSSCGKSA-N 2 0 274.412 2.528 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261931961 383582066 /nfs/dbraw/zinc/58/20/66/383582066.db2.gz LQGTUSFDGAREPU-OAHLLOKOSA-N 2 0 258.409 2.661 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000570220212 383583665 /nfs/dbraw/zinc/58/36/65/383583665.db2.gz GUUPGXLMXLHYDV-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000261948708 383583941 /nfs/dbraw/zinc/58/39/41/383583941.db2.gz NQKRWEYWJOVLRC-QWRGUYRKSA-N 2 0 267.442 2.610 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261979011 383589973 /nfs/dbraw/zinc/58/99/73/383589973.db2.gz IZRFZXGKPOPLCD-SFHVURJKSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1cc(NC[C@H](C)C[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000489014393 383591093 /nfs/dbraw/zinc/59/10/93/383591093.db2.gz OKPHJPXJVJZMSS-NSHDSACASA-N 2 0 275.371 2.714 20 0 CFADRP C[C@@]1(C[NH+]2CCC(c3ccc(O)cc3)CC2)CC[NH2+]C1 ZINC000261992976 383592568 /nfs/dbraw/zinc/59/25/68/383592568.db2.gz KMFWWIPGJOGSIA-QGZVFWFLSA-N 2 0 274.408 2.571 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262007933 383593661 /nfs/dbraw/zinc/59/36/61/383593661.db2.gz UVAGURVYQDYXAB-ARFHVFGLSA-N 2 0 274.408 2.563 20 0 CFADRP COc1ccc([C@@H](C)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430926071 383612173 /nfs/dbraw/zinc/61/21/73/383612173.db2.gz FOSCMGHKBSFJND-HNNXBMFYSA-N 2 0 288.435 2.874 20 0 CFADRP O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451355736 383595966 /nfs/dbraw/zinc/59/59/66/383595966.db2.gz WCTFZXKYVXHBNY-RCCFBDPRSA-N 2 0 294.483 2.878 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccs1 ZINC000422760831 532995828 /nfs/dbraw/zinc/99/58/28/532995828.db2.gz QLAJKKZYKVPUMV-CJNGLKHVSA-N 2 0 274.433 2.839 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451366198 383599511 /nfs/dbraw/zinc/59/95/11/383599511.db2.gz HXMSYMXNDIUHAW-JJTUDDRGSA-N 2 0 260.425 2.615 20 0 CFADRP COc1ccc(Cl)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000262116182 383605567 /nfs/dbraw/zinc/60/55/67/383605567.db2.gz LEBSAAKCHYPRST-LLVKDONJSA-N 2 0 282.815 2.908 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000262125283 383606904 /nfs/dbraw/zinc/60/69/04/383606904.db2.gz XQCZEIIFEPYXFQ-OAGGEKHMSA-N 2 0 250.430 2.888 20 0 CFADRP FCC1CC[NH+](CCC[NH+]2CCC(CF)CC2)CC1 ZINC000451396959 383607386 /nfs/dbraw/zinc/60/73/86/383607386.db2.gz SYHOCXNORWRTJI-UHFFFAOYSA-N 2 0 274.399 2.740 20 0 CFADRP C[C@H](CN1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000261757025 383553425 /nfs/dbraw/zinc/55/34/25/383553425.db2.gz CPXDQHLMSIQQOF-LLVKDONJSA-N 2 0 252.789 2.867 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCSCc3ccccc3)C[C@@H]21 ZINC000261753438 383553550 /nfs/dbraw/zinc/55/35/50/383553550.db2.gz CHMUCZXYQUAACI-YESZJQIVSA-N 2 0 290.476 2.979 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000488522660 383555006 /nfs/dbraw/zinc/55/50/06/383555006.db2.gz LGPWYXCCSRRNQJ-ZIAGYGMSSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H]1C[C@@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488528279 383555620 /nfs/dbraw/zinc/55/56/20/383555620.db2.gz APKYMDWSWLLXJO-GOEBONIOSA-N 2 0 273.424 2.886 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000261760742 383555945 /nfs/dbraw/zinc/55/59/45/383555945.db2.gz CXWRQGMIRCZMJR-JTQLQIEISA-N 2 0 293.411 2.995 20 0 CFADRP c1sc(-c2ccccc2)nc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261804592 383563068 /nfs/dbraw/zinc/56/30/68/383563068.db2.gz ZEADTYXZFBLVGX-QGZVFWFLSA-N 2 0 299.443 2.996 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CCCN1C ZINC000488582541 383563361 /nfs/dbraw/zinc/56/33/61/383563361.db2.gz NUVWVOCUMJANRU-RQJABVFESA-N 2 0 270.486 2.979 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261827630 383567467 /nfs/dbraw/zinc/56/74/67/383567467.db2.gz UMXNIOUNSQJUOB-KBPBESRZSA-N 2 0 270.376 2.783 20 0 CFADRP C[NH2+]C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261825124 383567954 /nfs/dbraw/zinc/56/79/54/383567954.db2.gz IPDSNBFOERUIHJ-GFCCVEGCSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000261833681 383568979 /nfs/dbraw/zinc/56/89/79/383568979.db2.gz JGPKHSAMVJQUMQ-JTQLQIEISA-N 2 0 265.426 2.580 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430960448 383615982 /nfs/dbraw/zinc/61/59/82/383615982.db2.gz JGNWYAFJXAKMCH-ZBFHGGJFSA-N 2 0 276.424 2.687 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccccc2)CC1 ZINC000570579142 383616573 /nfs/dbraw/zinc/61/65/73/383616573.db2.gz CESODMCNUWYPQY-MSOLQXFVSA-N 2 0 290.451 2.569 20 0 CFADRP C[NH2+]CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262323754 383616678 /nfs/dbraw/zinc/61/66/78/383616678.db2.gz FSDYFJMMWJHUSC-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430960445 383616773 /nfs/dbraw/zinc/61/67/73/383616773.db2.gz JGNWYAFJXAKMCH-GDBMZVCRSA-N 2 0 276.424 2.687 20 0 CFADRP CCc1cccc(F)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430955390 383616849 /nfs/dbraw/zinc/61/68/49/383616849.db2.gz IKDCNFBCRRCJOQ-UHFFFAOYSA-N 2 0 276.399 2.964 20 0 CFADRP c1ccc2cc(OCC[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000262561934 383627541 /nfs/dbraw/zinc/62/75/41/383627541.db2.gz VQDAAQUFVWNZMC-IBGZPJMESA-N 2 0 296.414 2.904 20 0 CFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074758 383628186 /nfs/dbraw/zinc/62/81/86/383628186.db2.gz XSICAJPLUGQFOU-VXGBXAGGSA-N 2 0 280.416 2.664 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C1(C)C ZINC000451501507 383629577 /nfs/dbraw/zinc/62/95/77/383629577.db2.gz PDFLEIPIJVVRNC-RBSFLKMASA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)COCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000570741711 383632011 /nfs/dbraw/zinc/63/20/11/383632011.db2.gz INHWGLYLUWEWRY-UHFFFAOYSA-N 2 0 270.461 2.711 20 0 CFADRP CSc1ccc([C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423144208 533007241 /nfs/dbraw/zinc/00/72/41/533007241.db2.gz GHVARABFTPZILU-ZENOOKHLSA-N 2 0 295.496 2.727 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420365689 533007444 /nfs/dbraw/zinc/00/74/44/533007444.db2.gz FDYCKUAPJCNNDO-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCOC1 ZINC000361068899 522631978 /nfs/dbraw/zinc/63/19/78/522631978.db2.gz NCERENYAUONPQD-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3=CCCC3)CC2)CC1 ZINC000645836722 383764108 /nfs/dbraw/zinc/76/41/08/383764108.db2.gz ZLQMCNMGKIRHIJ-UHFFFAOYSA-N 2 0 291.483 2.587 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccncc1 ZINC000453095389 383764238 /nfs/dbraw/zinc/76/42/38/383764238.db2.gz QXNQKESDVIFGFK-QGZVFWFLSA-N 2 0 291.439 2.623 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)c1ccncc1 ZINC000453100258 383766311 /nfs/dbraw/zinc/76/63/11/383766311.db2.gz YJVCDGPIUXVNCH-JKSUJKDBSA-N 2 0 261.413 2.997 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](Cn2cccn2)C(C)C)CC1 ZINC000453115349 383771698 /nfs/dbraw/zinc/77/16/98/383771698.db2.gz HRVAUGXQIPVEIE-KRWDZBQOSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000572374141 383777967 /nfs/dbraw/zinc/77/79/67/383777967.db2.gz BMFKHWVZRASAPW-MCIONIFRSA-N 2 0 286.423 2.614 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000571080028 383664167 /nfs/dbraw/zinc/66/41/67/383664167.db2.gz LBWHKSFPNPDTBB-OAHLLOKOSA-N 2 0 299.503 2.636 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000571215755 383674346 /nfs/dbraw/zinc/67/43/46/383674346.db2.gz GWAXMHJPKZCVNJ-CYBMUJFWSA-N 2 0 280.387 2.656 20 0 CFADRP CCn1ccnc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000453223325 383806653 /nfs/dbraw/zinc/80/66/53/383806653.db2.gz MGSIPVWNWHLVIK-HNNXBMFYSA-N 2 0 278.444 2.820 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCCc1cccnc1)C[NH+](C)C ZINC000453248881 383815272 /nfs/dbraw/zinc/81/52/72/383815272.db2.gz XTGQVUZVLWRONQ-HUUCEWRRSA-N 2 0 263.429 2.580 20 0 CFADRP Cc1noc([C@H](C)N(C)CCCC[NH+]2CCCCC2)n1 ZINC000640532097 383818679 /nfs/dbraw/zinc/81/86/79/383818679.db2.gz WJSCJAKMSMIENM-ZDUSSCGKSA-N 2 0 280.416 2.637 20 0 CFADRP C[C@H]1CC[C@@H](C[N@H+](C)CCCC[NH+]2CCCCC2)O1 ZINC000640535027 383819682 /nfs/dbraw/zinc/81/96/82/383819682.db2.gz YTLGUHSDSDDWHJ-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP COc1ccc(OCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422894675 533011490 /nfs/dbraw/zinc/01/14/90/533011490.db2.gz CUWUEKPSVNYJRR-SJORKVTESA-N 2 0 292.423 2.714 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453154694 383786359 /nfs/dbraw/zinc/78/63/59/383786359.db2.gz AIEJJWSCKMSWRG-RCCFBDPRSA-N 2 0 292.467 2.533 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(CCc3c(F)cccc3F)C2)C1 ZINC000645922300 383794889 /nfs/dbraw/zinc/79/48/89/383794889.db2.gz OJXDTZLZRKMUBC-INIZCTEOSA-N 2 0 280.362 2.535 20 0 CFADRP Fc1cccc2[nH]c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000436288478 383800465 /nfs/dbraw/zinc/80/04/65/383800465.db2.gz KQQSEOOCVOMUTM-GFCCVEGCSA-N 2 0 287.382 2.881 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@H]2CCC[C@@H]21 ZINC000453292222 383840071 /nfs/dbraw/zinc/84/00/71/383840071.db2.gz OSVXPTLKRPCBMZ-PMPSAXMXSA-N 2 0 287.451 2.822 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000070344080 412971085 /nfs/dbraw/zinc/97/10/85/412971085.db2.gz CYUWEQLWJWRWMX-ARFHVFGLSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC000453392389 383850649 /nfs/dbraw/zinc/85/06/49/383850649.db2.gz FDERTRLDBXIDCH-WCQYABFASA-N 2 0 294.361 2.560 20 0 CFADRP C[N@H+](CCCC[NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000453418547 383851795 /nfs/dbraw/zinc/85/17/95/383851795.db2.gz YJAURIWIEPVXPR-UHFFFAOYSA-N 2 0 258.409 2.618 20 0 CFADRP CC[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000453583163 383858262 /nfs/dbraw/zinc/85/82/62/383858262.db2.gz NEDIWYZWLYKELX-HNNXBMFYSA-N 2 0 275.440 2.717 20 0 CFADRP CCc1nn(C)c(CC)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453591636 383863834 /nfs/dbraw/zinc/86/38/34/383863834.db2.gz CYVKNTAFBNZRCM-UHFFFAOYSA-N 2 0 292.471 2.509 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc2c[nH]nc21)C1CC1 ZINC000453593618 383864639 /nfs/dbraw/zinc/86/46/39/383864639.db2.gz HAJHDCZEADKWHM-UHFFFAOYSA-N 2 0 272.396 2.527 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(OC)c1 ZINC000453594988 383865024 /nfs/dbraw/zinc/86/50/24/383865024.db2.gz JGPUUDGXEXCRGL-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1C ZINC000453596968 383867983 /nfs/dbraw/zinc/86/79/83/383867983.db2.gz MNFOOHJRFCMCFM-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC000453600219 383869833 /nfs/dbraw/zinc/86/98/33/383869833.db2.gz RYQCQNCXGZBFFJ-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CCCCC(F)(F)F)CCO2 ZINC000646105876 383874807 /nfs/dbraw/zinc/87/48/07/383874807.db2.gz KLEBPLYTSJSCFL-UHFFFAOYSA-N 2 0 294.361 2.516 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106423 383875246 /nfs/dbraw/zinc/87/52/46/383875246.db2.gz XXXMYIDDVRXYDG-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCC(C)(C)C)CC1 ZINC000646028755 383828375 /nfs/dbraw/zinc/82/83/75/383828375.db2.gz ZVPYLHGCGDBAFO-UHFFFAOYSA-N 2 0 283.504 2.771 20 0 CFADRP CSc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423109619 533017282 /nfs/dbraw/zinc/01/72/82/533017282.db2.gz SRPMJYPQIGPRAJ-MFKMUULPSA-N 2 0 268.401 2.765 20 0 CFADRP CSc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423109617 533017725 /nfs/dbraw/zinc/01/77/25/533017725.db2.gz SRPMJYPQIGPRAJ-GXFFZTMASA-N 2 0 268.401 2.765 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000573371485 383917939 /nfs/dbraw/zinc/91/79/39/383917939.db2.gz CXEMQIORFVPUDB-OKZBNKHCSA-N 3 0 287.451 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422772201 533018170 /nfs/dbraw/zinc/01/81/70/533018170.db2.gz RZEABGDHCOZGAT-SFHVURJKSA-N 2 0 299.418 2.592 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000422826330 533020201 /nfs/dbraw/zinc/02/02/01/533020201.db2.gz QRRBZJVHEOVQPK-FMKPAKJESA-N 2 0 264.413 2.522 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000422892144 533020781 /nfs/dbraw/zinc/02/07/81/533020781.db2.gz XNYFPEVZIGNUQK-ZBFHGGJFSA-N 2 0 264.413 2.708 20 0 CFADRP COC1CCC(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000573234818 383895634 /nfs/dbraw/zinc/89/56/34/383895634.db2.gz ALHORJIZDLMMJL-CIDNJEQPSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532221782 383994197 /nfs/dbraw/zinc/99/41/97/383994197.db2.gz GLCHJSRELRODBO-WMZOPIPTSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531977524 383951705 /nfs/dbraw/zinc/95/17/05/383951705.db2.gz XDNDOGNJTFGWDO-LPWJVIDDSA-N 2 0 278.362 2.895 20 0 CFADRP Cc1cccc2c1ccnc2NC[C@@H](C)C[NH+]1CCOCC1 ZINC000573916445 384011319 /nfs/dbraw/zinc/01/13/19/384011319.db2.gz RFHNHUBDTUHFGF-CQSZACIVSA-N 2 0 299.418 2.923 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000574158124 384053673 /nfs/dbraw/zinc/05/36/73/384053673.db2.gz KZPIRZAMXGOVHU-GOSISDBHSA-N 2 0 288.435 2.703 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000532447990 384028870 /nfs/dbraw/zinc/02/88/70/384028870.db2.gz BZGLQAIRVIPETE-MRXNPFEDSA-N 2 0 296.842 2.885 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000574028994 384029934 /nfs/dbraw/zinc/02/99/34/384029934.db2.gz LLGADNBVCWUDML-IRXDYDNUSA-N 2 0 290.451 2.737 20 0 CFADRP CC(C)[N@H+](C)CC1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000532950133 384086889 /nfs/dbraw/zinc/08/68/89/384086889.db2.gz ODOUOMOPKLTPQU-UHFFFAOYSA-N 2 0 295.515 2.771 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000533000734 384089509 /nfs/dbraw/zinc/08/95/09/384089509.db2.gz BGVQOCLOIXSWFV-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP [NH3+]C[C@@H](C[N@@H+]1CC[C@@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000574452957 384098569 /nfs/dbraw/zinc/09/85/69/384098569.db2.gz PWNYHJTTXUOIIQ-SJORKVTESA-N 2 0 299.393 2.753 20 0 CFADRP CC(C)[C@H](CO)[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000574489637 384103452 /nfs/dbraw/zinc/10/34/52/384103452.db2.gz XKFMXWLZNCLHQD-IKGGRYGDSA-N 2 0 284.488 2.740 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000574489562 384103521 /nfs/dbraw/zinc/10/35/21/384103521.db2.gz LYRPMPASOPIFEU-QXSJWSMHSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1ccoc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000266216305 384119798 /nfs/dbraw/zinc/11/97/98/384119798.db2.gz PXJFCGUBMIWJGM-UHFFFAOYSA-N 2 0 258.365 2.939 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000574777387 384145156 /nfs/dbraw/zinc/14/51/56/384145156.db2.gz NTUQVPUVIUCITF-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000574982554 384171146 /nfs/dbraw/zinc/17/11/46/384171146.db2.gz BPALDEOSKQANTI-OFLPRAFFSA-N 2 0 282.472 2.638 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422819417 533044560 /nfs/dbraw/zinc/04/45/60/533044560.db2.gz IAZFCVUJYXLBRR-SNRMKQJTSA-N 2 0 296.414 2.979 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000277145320 384213569 /nfs/dbraw/zinc/21/35/69/384213569.db2.gz JJBKVFUSYSPHJL-KRWDZBQOSA-N 2 0 298.434 2.788 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000637890058 384254086 /nfs/dbraw/zinc/25/40/86/384254086.db2.gz QWPJHXBJLWMRQR-WBVHZDCISA-N 2 0 282.472 2.998 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@](C)(CC)OC)CC1 ZINC000637905702 384265322 /nfs/dbraw/zinc/26/53/22/384265322.db2.gz OFCZQFSTIHKOHI-INIZCTEOSA-N 2 0 270.461 2.855 20 0 CFADRP CCC[C@@H](C[NH+]1CCC(C[NH+](CC)CC)CC1)OC ZINC000637906280 384267199 /nfs/dbraw/zinc/26/71/99/384267199.db2.gz UEEYRGXLSJFZRD-INIZCTEOSA-N 2 0 270.461 2.855 20 0 CFADRP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccncc1N)N(C)C ZINC000641749368 384315383 /nfs/dbraw/zinc/31/53/83/384315383.db2.gz HNDSXKFEIOATAV-KBXCAEBGSA-N 2 0 298.434 2.753 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641707955 384279349 /nfs/dbraw/zinc/27/93/49/384279349.db2.gz TYLKDOSVLQIKPE-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)CC1CC[NH2+]CC1 ZINC000094011188 285101934 /nfs/dbraw/zinc/10/19/34/285101934.db2.gz MMEJANHJJGTTJF-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000641805368 384373301 /nfs/dbraw/zinc/37/33/01/384373301.db2.gz NICQXJPCWBAUGW-IRXDYDNUSA-N 2 0 284.403 2.934 20 0 CFADRP CC[NH+](CC)CC[C@@H](CO)NCc1ccc(SC)cc1 ZINC000641772530 384338393 /nfs/dbraw/zinc/33/83/93/384338393.db2.gz QFBGBVBXNQUSIV-HNNXBMFYSA-N 2 0 296.480 2.591 20 0 CFADRP CC[NH+](CC)CC[C@H](CO)NCc1sccc1Cl ZINC000641773175 384338708 /nfs/dbraw/zinc/33/87/08/384338708.db2.gz VQVVWXGBKBBLLA-LLVKDONJSA-N 2 0 290.860 2.584 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641779229 384344225 /nfs/dbraw/zinc/34/42/25/384344225.db2.gz DIDSPPIZRXWJLG-IKGGRYGDSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1 ZINC000277621748 384356277 /nfs/dbraw/zinc/35/62/77/384356277.db2.gz XDRCPMBSZNNIOO-ZDUSSCGKSA-N 2 0 252.427 2.973 20 0 CFADRP CCCc1nc(C)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000641798632 384365474 /nfs/dbraw/zinc/36/54/74/384365474.db2.gz OVHYDAOXHLWDRN-CABCVRRESA-N 2 0 291.439 2.900 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)o1 ZINC000641799923 384366507 /nfs/dbraw/zinc/36/65/07/384366507.db2.gz SVTUXXINCLMUEF-DYEKYZERSA-N 2 0 279.428 2.741 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000641800022 384367384 /nfs/dbraw/zinc/36/73/84/384367384.db2.gz WBQCZQSEOLRGGH-OAHLLOKOSA-N 2 0 278.440 2.554 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000641800021 384367486 /nfs/dbraw/zinc/36/74/86/384367486.db2.gz WBQCZQSEOLRGGH-HNNXBMFYSA-N 2 0 278.440 2.554 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000641799491 384367615 /nfs/dbraw/zinc/36/76/15/384367615.db2.gz PUTUXSUVESEGFX-HUUCEWRRSA-N 2 0 291.439 2.757 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000641800972 384368295 /nfs/dbraw/zinc/36/82/95/384368295.db2.gz KASMXOJDWQCTRA-BZUAXINKSA-N 2 0 278.440 2.552 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2cccc(C(F)F)c2)C[C@@H]1[NH3+] ZINC000641801619 384369247 /nfs/dbraw/zinc/36/92/47/384369247.db2.gz UARRECPJLYATJC-NWDGAFQWSA-N 2 0 254.324 2.840 20 0 CFADRP COc1cccc(SCC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641801952 384369870 /nfs/dbraw/zinc/36/98/70/384369870.db2.gz WJTOXYIEPCFEPE-KGLIPLIRSA-N 2 0 280.437 2.503 20 0 CFADRP CSc1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641802828 384370680 /nfs/dbraw/zinc/37/06/80/384370680.db2.gz PMPAVIBPEQEPJF-KBPBESRZSA-N 2 0 280.437 2.503 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000641801973 384370856 /nfs/dbraw/zinc/37/08/56/384370856.db2.gz WXCMAEAYLUHARH-IMJJTQAJSA-N 2 0 258.409 2.822 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000641803005 384371241 /nfs/dbraw/zinc/37/12/41/384371241.db2.gz QSWIRFRXJNPIPF-OLZOCXBDSA-N 2 0 286.778 2.573 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000638112832 384426037 /nfs/dbraw/zinc/42/60/37/384426037.db2.gz NYIRFDCFEYQKAT-OAHLLOKOSA-N 2 0 250.430 2.840 20 0 CFADRP Cc1cc(C)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277817367 384413787 /nfs/dbraw/zinc/41/37/87/384413787.db2.gz KXSNTVXXPLJYFV-QGZVFWFLSA-N 2 0 290.451 2.894 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000641821589 384380282 /nfs/dbraw/zinc/38/02/82/384380282.db2.gz MFQSEASMRYBCKQ-OAHLLOKOSA-N 2 0 291.439 2.757 20 0 CFADRP Cc1nc(-c2ccccc2)oc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000641823071 384380767 /nfs/dbraw/zinc/38/07/67/384380767.db2.gz QAMNHRHIQLKXBY-DOMZBBRYSA-N 2 0 285.391 2.962 20 0 CFADRP [NH3+][C@H]1CC=C(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000638067693 384389462 /nfs/dbraw/zinc/38/94/62/384389462.db2.gz SZSJPAJNTAEWTD-INIZCTEOSA-N 2 0 299.418 2.659 20 0 CFADRP COc1cc(C)c([C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000638185977 384478270 /nfs/dbraw/zinc/47/82/70/384478270.db2.gz HHPPUQAULLUMOP-RRFJBIMHSA-N 2 0 274.408 2.524 20 0 CFADRP c1ccc(O[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000643057202 384487491 /nfs/dbraw/zinc/48/74/91/384487491.db2.gz YQVULQGFMZNWSU-SJLPKXTDSA-N 2 0 288.435 2.920 20 0 CFADRP c1cc2c(s1)CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000643057888 384487694 /nfs/dbraw/zinc/48/76/94/384487694.db2.gz VBPJTVJZPSMOJF-ZDUSSCGKSA-N 2 0 264.438 2.886 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000643057491 384487770 /nfs/dbraw/zinc/48/77/70/384487770.db2.gz ARMSJUKICXONFZ-NSHDSACASA-N 2 0 252.324 2.650 20 0 CFADRP C[C@H]1c2ccc(F)cc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643058163 384488141 /nfs/dbraw/zinc/48/81/41/384488141.db2.gz JWJROZMPMTXRQJ-QWHCGFSZSA-N 2 0 262.372 2.744 20 0 CFADRP CC[N@H+](Cc1ccccc1N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435616943 285118531 /nfs/dbraw/zinc/11/85/31/285118531.db2.gz UYALSLAUVWJBQM-INIZCTEOSA-N 2 0 275.440 2.717 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638289153 384533141 /nfs/dbraw/zinc/53/31/41/384533141.db2.gz KQTRVVDTRGKVOI-CQSZACIVSA-N 2 0 270.461 2.636 20 0 CFADRP CC1CC[NH+](CCC[NH2+]CC2CCSCC2)CC1 ZINC000638305678 384545636 /nfs/dbraw/zinc/54/56/36/384545636.db2.gz FAWPJGHIRUTFBL-UHFFFAOYSA-N 2 0 270.486 2.841 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000643296042 384554910 /nfs/dbraw/zinc/55/49/10/384554910.db2.gz UDHJYSMBFGTQQW-UYSNPLJNSA-N 2 0 273.424 2.921 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638298586 384539573 /nfs/dbraw/zinc/53/95/73/384539573.db2.gz UJDDLFKHAMDZFN-HNNXBMFYSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCCc1cnn(C)c1 ZINC000638364724 384590635 /nfs/dbraw/zinc/59/06/35/384590635.db2.gz BTYSHJRQGGBPHJ-MRXNPFEDSA-N 2 0 292.471 2.597 20 0 CFADRP Cc1cnc(CNCCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000638365819 384590657 /nfs/dbraw/zinc/59/06/57/384590657.db2.gz INVGAGBPLUJQGK-ZDUSSCGKSA-N 2 0 265.401 2.727 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000638359462 384583410 /nfs/dbraw/zinc/58/34/10/384583410.db2.gz QRLYSDLWGFZEDN-MRXNPFEDSA-N 2 0 258.409 2.611 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000638362607 384586596 /nfs/dbraw/zinc/58/65/96/384586596.db2.gz CCFHDAAEAXYEMF-QVOMUQBLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638411136 384632672 /nfs/dbraw/zinc/63/26/72/384632672.db2.gz LTWGUKVTEGKUFX-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CS1 ZINC000638381775 384608607 /nfs/dbraw/zinc/60/86/07/384608607.db2.gz PHOBEAGVKMXGPT-DZGCQCFKSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638409460 384629907 /nfs/dbraw/zinc/62/99/07/384629907.db2.gz YALOQSYSMJCOEX-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638366309 384592564 /nfs/dbraw/zinc/59/25/64/384592564.db2.gz NHCRBPXVURVXTA-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP COc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000638367902 384593538 /nfs/dbraw/zinc/59/35/38/384593538.db2.gz XDFQALGPHGWKOD-CYBMUJFWSA-N 2 0 297.468 2.896 20 0 CFADRP CCOC1CC(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000638370366 384596405 /nfs/dbraw/zinc/59/64/05/384596405.db2.gz CAHXFYSIVAPNKT-JUVOFCAFSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638371758 384598006 /nfs/dbraw/zinc/59/80/06/384598006.db2.gz WAIDZYBSBMBNJA-RQJABVFESA-N 2 0 274.399 2.988 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638371759 384598980 /nfs/dbraw/zinc/59/89/80/384598980.db2.gz WAIDZYBSBMBNJA-XJFOESAGSA-N 2 0 274.399 2.988 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCS2 ZINC000643497320 384663676 /nfs/dbraw/zinc/66/36/76/384663676.db2.gz GPQNMLGUHUHXDZ-OAHLLOKOSA-N 2 0 292.448 2.821 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(F)cc1 ZINC000268798322 384664269 /nfs/dbraw/zinc/66/42/69/384664269.db2.gz AFRHBQGGACXDKK-QGZVFWFLSA-N 2 0 294.414 2.713 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(C2CCCC2)c1 ZINC000643503645 384673733 /nfs/dbraw/zinc/67/37/33/384673733.db2.gz RKCPSUMRJQLNDT-GRTSSRMGSA-N 2 0 276.428 2.919 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457432 384637053 /nfs/dbraw/zinc/63/70/53/384637053.db2.gz AVFQUBLAEBDUMV-LZLYRXPVSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456597 384637285 /nfs/dbraw/zinc/63/72/85/384637285.db2.gz MHAVCCVODHQCCD-GHMZBOCLSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463626 384644105 /nfs/dbraw/zinc/64/41/05/384644105.db2.gz QSXYGRCVVFHXRG-BHYGNILZSA-N 2 0 290.451 2.696 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463603 384644862 /nfs/dbraw/zinc/64/48/62/384644862.db2.gz NBCDNDQNDMGFPI-INIZCTEOSA-N 2 0 278.440 2.698 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000643467570 384648813 /nfs/dbraw/zinc/64/88/13/384648813.db2.gz ULVDXONPVJYMRG-KCPJHIHWSA-N 2 0 282.815 2.745 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC000268710597 384650897 /nfs/dbraw/zinc/65/08/97/384650897.db2.gz GPOJPQTYNONSSW-OLMNPRSZSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)CCN1Cc1ccccc1 ZINC000268712551 384651068 /nfs/dbraw/zinc/65/10/68/384651068.db2.gz LBYFKDWKOBOODE-NJAFHUGGSA-N 2 0 288.435 2.808 20 0 CFADRP CC(C)OC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000643475692 384654591 /nfs/dbraw/zinc/65/45/91/384654591.db2.gz BFGVLDBMHSPZIV-KDJGIRDZSA-N 2 0 266.429 2.595 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643477976 384654662 /nfs/dbraw/zinc/65/46/62/384654662.db2.gz KLJMHZYAKOGUQU-CPUCHLNUSA-N 2 0 258.409 2.522 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000643476343 384654792 /nfs/dbraw/zinc/65/47/92/384654792.db2.gz OXGDRIKZWVSYOL-WMZOPIPTSA-N 2 0 288.435 2.748 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000643476340 384654962 /nfs/dbraw/zinc/65/49/62/384654962.db2.gz OXGDRIKZWVSYOL-AEFFLSMTSA-N 2 0 288.435 2.748 20 0 CFADRP CCOCCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268759078 384656679 /nfs/dbraw/zinc/65/66/79/384656679.db2.gz ZOUASOFJEBSYPI-OAHLLOKOSA-N 2 0 294.439 2.704 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000643493842 384662007 /nfs/dbraw/zinc/66/20/07/384662007.db2.gz UWTOMCZCBRGBOF-QILLFSRXSA-N 2 0 290.451 2.981 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546574 384724853 /nfs/dbraw/zinc/72/48/53/384724853.db2.gz RGZYMVHNDDLRSA-GOEBONIOSA-N 2 0 256.393 2.938 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545195 384725211 /nfs/dbraw/zinc/72/52/11/384725211.db2.gz LRRFVZHCJDYOHC-STQMWFEESA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCO2 ZINC000643546003 384725303 /nfs/dbraw/zinc/72/53/03/384725303.db2.gz GYPRSKQXRSHOHE-TZMCWYRMSA-N 2 0 288.391 2.741 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000643508527 384680640 /nfs/dbraw/zinc/68/06/40/384680640.db2.gz ZREAQEDKWMDIKW-INIZCTEOSA-N 2 0 261.413 2.911 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000268873938 384681444 /nfs/dbraw/zinc/68/14/44/384681444.db2.gz DIWPZMLOKDNPGH-DZGCQCFKSA-N 2 0 292.423 2.839 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CCCc2cccnc21)C1CCCCC1 ZINC000643511392 384682305 /nfs/dbraw/zinc/68/23/05/384682305.db2.gz AXQOEWWNJBJIBO-HOTGVXAUSA-N 2 0 273.424 2.956 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643513875 384685039 /nfs/dbraw/zinc/68/50/39/384685039.db2.gz FCWUGHUQDNGDRL-ZIAGYGMSSA-N 3 0 275.440 2.526 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643522823 384688979 /nfs/dbraw/zinc/68/89/79/384688979.db2.gz SRWYXVUYHKNVAL-AETAKHFUSA-N 2 0 288.435 2.919 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000643522729 384688996 /nfs/dbraw/zinc/68/89/96/384688996.db2.gz ATVFFPCXYQYMBV-DLBZAZTESA-N 2 0 258.409 2.666 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522152 384689864 /nfs/dbraw/zinc/68/98/64/384689864.db2.gz IXPNIZGHZFWPQP-GOEBONIOSA-N 2 0 274.408 2.940 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523294 384691851 /nfs/dbraw/zinc/69/18/51/384691851.db2.gz ZOBCYGZEJQYOSY-XJKSGUPXSA-N 2 0 274.408 2.804 20 0 CFADRP Cc1nc([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c(C)s1 ZINC000643525834 384693188 /nfs/dbraw/zinc/69/31/88/384693188.db2.gz UGPZUHPTDATVIR-HOTUBEGUSA-N 2 0 253.415 2.551 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000643524790 384693591 /nfs/dbraw/zinc/69/35/91/384693591.db2.gz IILJADBOQFYAJF-DFKRKDTASA-N 2 0 266.335 2.540 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643534195 384705557 /nfs/dbraw/zinc/70/55/57/384705557.db2.gz OEHFLXTUVKTWCO-HZMBPMFUSA-N 2 0 266.335 2.758 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000643533237 384705580 /nfs/dbraw/zinc/70/55/80/384705580.db2.gz WWKRJCUYRJIJML-HUUCEWRRSA-N 2 0 291.439 2.819 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000643533235 384705611 /nfs/dbraw/zinc/70/56/11/384705611.db2.gz WWKRJCUYRJIJML-CABCVRRESA-N 2 0 291.439 2.819 20 0 CFADRP C1[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C12CC[NH2+]CC2 ZINC000643533746 384705720 /nfs/dbraw/zinc/70/57/20/384705720.db2.gz CRFUWIGWBFFYHN-BAPHQMLMSA-N 2 0 260.425 2.543 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534641 384706893 /nfs/dbraw/zinc/70/68/93/384706893.db2.gz ZEMPUJSPGGJXEJ-HUUCEWRRSA-N 2 0 260.356 2.545 20 0 CFADRP c1ccc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccn2)cc1 ZINC000643534828 384708102 /nfs/dbraw/zinc/70/81/02/384708102.db2.gz DJEGKJUGXTZWSX-ZWKOTPCHSA-N 2 0 293.414 2.903 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccnn1-c1ccccc1 ZINC000643535283 384709484 /nfs/dbraw/zinc/70/94/84/384709484.db2.gz ARNBKVATXYWTPV-PBHICJAKSA-N 2 0 296.418 2.665 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000643535654 384709763 /nfs/dbraw/zinc/70/97/63/384709763.db2.gz HGMVKYAFGBZSCB-RBSFLKMASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cn1 ZINC000643535396 384709816 /nfs/dbraw/zinc/70/98/16/384709816.db2.gz LPGXBBNXGNLINY-MFKMUULPSA-N 2 0 265.788 2.528 20 0 CFADRP COC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000643535549 384709864 /nfs/dbraw/zinc/70/98/64/384709864.db2.gz GNTGFKHYCYXQNN-CABCVRRESA-N 2 0 294.826 2.759 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000269005352 384710296 /nfs/dbraw/zinc/71/02/96/384710296.db2.gz QGYRVDYXNYEYOA-RYQLBKOJSA-N 2 0 290.451 2.504 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536618 384711107 /nfs/dbraw/zinc/71/11/07/384711107.db2.gz STXUBZCSIWNEMR-WBVHZDCISA-N 2 0 286.419 2.804 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)C2 ZINC000643536655 384711864 /nfs/dbraw/zinc/71/18/64/384711864.db2.gz UIADYMIKWIVHGD-DLBZAZTESA-N 2 0 270.420 2.666 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000643536659 384712133 /nfs/dbraw/zinc/71/21/33/384712133.db2.gz UIEJQLJGMCWVLO-CHWSQXEVSA-N 2 0 250.411 2.931 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536490 384712173 /nfs/dbraw/zinc/71/21/73/384712173.db2.gz UJHSEIHCXDCKBX-HUUCEWRRSA-N 2 0 278.346 2.684 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536900 384712884 /nfs/dbraw/zinc/71/28/84/384712884.db2.gz YGJDCVOTEYGSBC-RYUDHWBXSA-N 2 0 296.336 2.823 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279672062 384716192 /nfs/dbraw/zinc/71/61/92/384716192.db2.gz FXJHIKOUMUQHHL-INMHGKMJSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643542708 384721648 /nfs/dbraw/zinc/72/16/48/384721648.db2.gz GSGMJFUKVOZZCB-GUTXKFCHSA-N 2 0 276.428 2.776 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](OC)[C@@H](C)CC)CC1 ZINC000638562772 384742900 /nfs/dbraw/zinc/74/29/00/384742900.db2.gz BTMFNKYWOZUJFQ-HOCLYGCPSA-N 2 0 270.461 2.759 20 0 CFADRP COCC1(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000638566220 384747115 /nfs/dbraw/zinc/74/71/15/384747115.db2.gz CYYIJQXPUKXTBQ-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nc2ccccc2nc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000638566755 384748555 /nfs/dbraw/zinc/74/85/55/384748555.db2.gz PGMVOMXNAXJCNL-UHFFFAOYSA-N 2 0 298.434 2.760 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638666155 384820170 /nfs/dbraw/zinc/82/01/70/384820170.db2.gz IGEUIEVKRTVURI-GDBMZVCRSA-N 2 0 282.472 2.780 20 0 CFADRP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000638682331 384831421 /nfs/dbraw/zinc/83/14/21/384831421.db2.gz ULZAYBFPDRVXHV-HOTGVXAUSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@]1(F)c1ccccc1)C1CC[NH+](C)CC1 ZINC000643908573 384788288 /nfs/dbraw/zinc/78/82/88/384788288.db2.gz FFTOOIYVNUTYGR-RRQGHBQHSA-N 2 0 276.399 2.944 20 0 CFADRP Cc1ccncc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000269565124 384790349 /nfs/dbraw/zinc/79/03/49/384790349.db2.gz KEXRAZHNKHIVJZ-UHFFFAOYSA-N 2 0 261.413 2.695 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)C1 ZINC000638653754 384812112 /nfs/dbraw/zinc/81/21/12/384812112.db2.gz QQGPAHCGMMJBEL-FOLVSLTJSA-N 2 0 282.472 2.636 20 0 CFADRP CO[C@@](C)(C[NH2+]CCC[NH+](C(C)C)C(C)C)C1CC1 ZINC000638736733 384875655 /nfs/dbraw/zinc/87/56/55/384875655.db2.gz UDFHGNXKZSCEBF-INIZCTEOSA-N 2 0 270.461 2.900 20 0 CFADRP COCC[N@H+](C)CCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000269837049 384878777 /nfs/dbraw/zinc/87/87/77/384878777.db2.gz AYNOCJWJTFZVQE-OAHLLOKOSA-N 2 0 298.377 2.510 20 0 CFADRP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000269750601 384861436 /nfs/dbraw/zinc/86/14/36/384861436.db2.gz ZVKNLUMDDVXVHC-FZCLSBEQSA-N 2 0 288.435 2.664 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638722708 384866705 /nfs/dbraw/zinc/86/67/05/384866705.db2.gz UHZKTTVJIMFZMG-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000644532455 384921978 /nfs/dbraw/zinc/92/19/78/384921978.db2.gz QEVKLCNFUVGYGP-GOSISDBHSA-N 2 0 290.451 2.923 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCc2cccs2)CC1 ZINC000638800540 384931448 /nfs/dbraw/zinc/93/14/48/384931448.db2.gz NGSZTYRQOFYKBV-UHFFFAOYSA-N 2 0 296.480 2.506 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000644562169 384936185 /nfs/dbraw/zinc/93/61/85/384936185.db2.gz BAGCMFSIOYCLKV-GOSISDBHSA-N 2 0 290.451 2.923 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638850337 384984409 /nfs/dbraw/zinc/98/44/09/384984409.db2.gz DIMZSFNXLSJLMS-RHSMWYFYSA-N 2 0 278.440 2.899 20 0 CFADRP CCOC1CC(C[NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000638851426 384986829 /nfs/dbraw/zinc/98/68/29/384986829.db2.gz KWZOCXCTYMWKOH-UHFFFAOYSA-N 2 0 276.424 2.653 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423268879 533102645 /nfs/dbraw/zinc/10/26/45/533102645.db2.gz FEQSEACAAMZBOJ-TUAOUCFPSA-N 2 0 268.426 2.925 20 0 CFADRP Cc1cc(C)cc(OCCN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000644784197 385057180 /nfs/dbraw/zinc/05/71/80/385057180.db2.gz VKVBSCXBSYVAIL-SFHVURJKSA-N 2 0 288.435 2.710 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414171170 285148869 /nfs/dbraw/zinc/14/88/69/285148869.db2.gz CSJCZFGODLBEOW-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CC[NH2+]CC1CCSCC1)[NH+]1CCCCC1 ZINC000639036623 385108464 /nfs/dbraw/zinc/10/84/64/385108464.db2.gz BMJNUZYMEBZSIX-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP CO[C@](C)(C[NH2+]CC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000639039055 385111710 /nfs/dbraw/zinc/11/17/10/385111710.db2.gz ZJZILFOZGWXXII-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3C=CCCCCC3)CC2)C1 ZINC000645095013 385183501 /nfs/dbraw/zinc/18/35/01/385183501.db2.gz KEZAHEBAGUHGDU-ZWKOTPCHSA-N 2 0 291.483 2.587 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)CCc1ccccc1F ZINC000270681845 385187072 /nfs/dbraw/zinc/18/70/72/385187072.db2.gz UQRZCBMTSYEHDA-UHFFFAOYSA-N 2 0 275.371 2.895 20 0 CFADRP Cc1nccn1CCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000270681862 385187935 /nfs/dbraw/zinc/18/79/35/385187935.db2.gz VAVFAVXTBYIFEJ-YOEHRIQHSA-N 2 0 285.391 2.654 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280805667 385160212 /nfs/dbraw/zinc/16/02/12/385160212.db2.gz ISMNCQOIUDTOML-JKSUJKDBSA-N 2 0 259.397 2.607 20 0 CFADRP Cc1[nH]c2ncnc(NC[C@H]3CC[N@@H+](C(C)C)C3)c2c1C ZINC000645140218 385209664 /nfs/dbraw/zinc/20/96/64/385209664.db2.gz QEDMROCGFBPBAU-CYBMUJFWSA-N 2 0 287.411 2.717 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639117103 385214349 /nfs/dbraw/zinc/21/43/49/385214349.db2.gz CSZOEASCCTVCFW-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C(C)C ZINC000645167987 385222501 /nfs/dbraw/zinc/22/25/01/385222501.db2.gz XWLJCRAWOIHKRA-CVEARBPZSA-N 2 0 297.487 2.519 20 0 CFADRP Cc1nccn1CC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000270844340 385245208 /nfs/dbraw/zinc/24/52/08/385245208.db2.gz GNPBDPHHDWGBQR-QGZVFWFLSA-N 2 0 269.392 2.681 20 0 CFADRP Cc1ccncc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000271023625 385306463 /nfs/dbraw/zinc/30/64/63/385306463.db2.gz JPOLOPQTNFPVAQ-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000282475507 385320522 /nfs/dbraw/zinc/32/05/22/385320522.db2.gz PSBOFOAQVNBXTD-BPQIPLTHSA-N 2 0 290.451 2.657 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282252026 385261275 /nfs/dbraw/zinc/26/12/75/385261275.db2.gz JNRVJGHCDRFMMC-INIZCTEOSA-N 2 0 289.467 2.672 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](CC3CCSCC3)C2)CC1 ZINC000639176477 385284893 /nfs/dbraw/zinc/28/48/93/385284893.db2.gz HTQVMMKPIFBROO-MRXNPFEDSA-N 2 0 282.497 2.793 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639176496 385285303 /nfs/dbraw/zinc/28/53/03/385285303.db2.gz WTBGIGDNQLBONK-QGZVFWFLSA-N 2 0 289.467 2.787 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CCCCC1 ZINC000639177395 385287627 /nfs/dbraw/zinc/28/76/27/385287627.db2.gz DBXKWKHDTYBORZ-FGTMMUONSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(F)c1 ZINC000639178966 385289974 /nfs/dbraw/zinc/28/99/74/385289974.db2.gz PXOQHXCJIBHWLW-XJKSGUPXSA-N 2 0 264.388 2.906 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000282386810 385299910 /nfs/dbraw/zinc/29/99/10/385299910.db2.gz QXGRRQSLZZRQAB-CJNGLKHVSA-N 2 0 271.408 2.783 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(O)c1 ZINC000282509247 385330471 /nfs/dbraw/zinc/33/04/71/385330471.db2.gz YTFUMIIAGNNWDP-CYBMUJFWSA-N 2 0 274.408 2.917 20 0 CFADRP COCC1(C[NH2+]CCCCC[NH+]2CCCC2)CCC1 ZINC000639209851 385332999 /nfs/dbraw/zinc/33/29/99/385332999.db2.gz FMTWKKRCCSDYNO-UHFFFAOYSA-N 2 0 268.445 2.659 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000639228758 385354407 /nfs/dbraw/zinc/35/44/07/385354407.db2.gz OQWBVEPEVAGQSK-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197493 285163607 /nfs/dbraw/zinc/16/36/07/285163607.db2.gz FECIOQQZQOQXHZ-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCCC1 ZINC000639236502 385366612 /nfs/dbraw/zinc/36/66/12/385366612.db2.gz SMIHWAVUAYZQBV-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000282676795 385368101 /nfs/dbraw/zinc/36/81/01/385368101.db2.gz JLILLQGTYIKSRG-UKRRQHHQSA-N 2 0 271.408 2.783 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2cc(C)cc(Cl)n2)[C@@H](C)C1 ZINC000282778910 385386674 /nfs/dbraw/zinc/38/66/74/385386674.db2.gz PKPXLOJUEHLDDP-JSGCOSHPSA-N 2 0 281.831 2.863 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000639206706 385328063 /nfs/dbraw/zinc/32/80/63/385328063.db2.gz CIEAPLYMFVWIDC-OAHLLOKOSA-N 2 0 250.430 2.840 20 0 CFADRP COC1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000639360009 385480839 /nfs/dbraw/zinc/48/08/39/385480839.db2.gz SCEGDKITIVRRPH-DVHLICQRSA-N 2 0 288.435 2.522 20 0 CFADRP CCC[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335621 385461632 /nfs/dbraw/zinc/46/16/32/385461632.db2.gz VURZYRACUXNLPP-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCSCC1 ZINC000639337095 385463131 /nfs/dbraw/zinc/46/31/31/385463131.db2.gz JPCQMCOPDDZYDZ-MRXNPFEDSA-N 2 0 282.497 2.841 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000639376032 385493448 /nfs/dbraw/zinc/49/34/48/385493448.db2.gz QAUBKHJHNRQGNI-HUUCEWRRSA-N 2 0 250.430 2.983 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCC2CCOCC2)CC1 ZINC000639380357 385497419 /nfs/dbraw/zinc/49/74/19/385497419.db2.gz XUEAFANVWVFODF-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1cn[nH]c1 ZINC000283690422 385489155 /nfs/dbraw/zinc/48/91/55/385489155.db2.gz ACYDNTHUZLFLDX-YOEHRIQHSA-N 2 0 284.407 2.725 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272403357 385529483 /nfs/dbraw/zinc/52/94/83/385529483.db2.gz ZOUYMPVZTDUZEZ-BVIKNXMNSA-N 2 0 290.451 2.910 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374342 385521942 /nfs/dbraw/zinc/52/19/42/385521942.db2.gz VGBCMZQRLSAEDP-BHYGNILZSA-N 2 0 290.476 2.992 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000337480044 285177203 /nfs/dbraw/zinc/17/72/03/285177203.db2.gz QGNCRUIQBQIZES-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421876811 285177489 /nfs/dbraw/zinc/17/74/89/285177489.db2.gz LDKNOBZCDKGKHV-LMPOIIKSSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc(C)c(CN(C)C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000639494126 385559143 /nfs/dbraw/zinc/55/91/43/385559143.db2.gz JHUKQSKCUNFWFD-INIZCTEOSA-N 2 0 275.440 2.780 20 0 CFADRP CC(C)[NH2+][C@H]1CCCN(Cc2cccc3c2CCOC3)C1 ZINC000639530218 385573884 /nfs/dbraw/zinc/57/38/84/385573884.db2.gz QRSOJYVPFITWIX-KRWDZBQOSA-N 2 0 288.435 2.722 20 0 CFADRP COCC1(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000423140424 533130388 /nfs/dbraw/zinc/13/03/88/533130388.db2.gz YEPIXQHFZUKDFM-RDJZCZTQSA-N 2 0 290.451 2.741 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000340245960 285185115 /nfs/dbraw/zinc/18/51/15/285185115.db2.gz GLORJWABEUAQIL-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC(C)=O)CC1)CC(C)C ZINC000639559930 385582797 /nfs/dbraw/zinc/58/27/97/385582797.db2.gz WQLVUNTWTSCWNZ-UHFFFAOYSA-N 2 0 268.445 2.655 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812580 385621415 /nfs/dbraw/zinc/62/14/15/385621415.db2.gz NRKIWXKSACGPRA-RYQLBKOJSA-N 2 0 290.451 2.504 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1[NH3+] ZINC000122777459 413007429 /nfs/dbraw/zinc/00/74/29/413007429.db2.gz RSOVQAMSYVBTPN-LRDDRELGSA-N 2 0 287.382 2.933 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000639701807 385672894 /nfs/dbraw/zinc/67/28/94/385672894.db2.gz BYXSXVAHUKUBOZ-UHFFFAOYSA-N 2 0 296.418 2.806 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCCOc3ccccc3)C2)CC1 ZINC000639757795 385698028 /nfs/dbraw/zinc/69/80/28/385698028.db2.gz LKMWQVSFYTWFCN-UHFFFAOYSA-N 2 0 288.435 2.873 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000639756303 385698195 /nfs/dbraw/zinc/69/81/95/385698195.db2.gz UYJIIMVRIZOUDY-OAGGEKHMSA-N 2 0 262.441 2.840 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC000639755776 385698257 /nfs/dbraw/zinc/69/82/57/385698257.db2.gz MTXCCCLRDUNFHB-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1nsc(C)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755188 385698430 /nfs/dbraw/zinc/69/84/30/385698430.db2.gz HLVSXYXDWQAEFC-UHFFFAOYSA-N 2 0 279.453 2.678 20 0 CFADRP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000639761065 385699576 /nfs/dbraw/zinc/69/95/76/385699576.db2.gz FTVJGPVLCVZYNP-LJQANCHMSA-N 2 0 298.430 2.728 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)CC1 ZINC000639760078 385700048 /nfs/dbraw/zinc/70/00/48/385700048.db2.gz QQIXPQTWHNFLSK-UHFFFAOYSA-N 2 0 291.439 2.890 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000414965998 533140260 /nfs/dbraw/zinc/14/02/60/533140260.db2.gz BIOPAFBOKZBHEQ-UHFFFAOYSA-N 2 0 296.842 2.754 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000414700773 533145145 /nfs/dbraw/zinc/14/51/45/533145145.db2.gz VMGMDSOSJIGAKK-ZMSDIMECSA-N 2 0 288.435 2.873 20 0 CFADRP CO[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C1CCC1 ZINC000639983189 385803792 /nfs/dbraw/zinc/80/37/92/385803792.db2.gz DRMPUCRVHNIJPL-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000639985612 385805450 /nfs/dbraw/zinc/80/54/50/385805450.db2.gz CBEGETHMSBVDIE-MRXNPFEDSA-N 2 0 280.456 2.896 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000274583867 385828306 /nfs/dbraw/zinc/82/83/06/385828306.db2.gz HRDQEWNBVLOQFB-CYBMUJFWSA-N 2 0 291.439 2.853 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000274610649 385833889 /nfs/dbraw/zinc/83/38/89/385833889.db2.gz KBJZLUXDUGNESV-CABCVRRESA-N 2 0 295.496 2.733 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]CCc1cccc(Cl)c1 ZINC000274651996 385841898 /nfs/dbraw/zinc/84/18/98/385841898.db2.gz LOOFAUPHLITGGB-GFCCVEGCSA-N 2 0 254.805 2.812 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274778733 385869970 /nfs/dbraw/zinc/86/99/70/385869970.db2.gz ORBOOOQRZVXQKC-VYDXJSESSA-N 2 0 298.434 2.971 20 0 CFADRP Cc1[nH+]c2c(n1[C@H]1CCN(Cc3ccon3)C1)CCCC2 ZINC000275237622 385963928 /nfs/dbraw/zinc/96/39/28/385963928.db2.gz FELPBVUDZNCOGO-AWEZNQCLSA-N 2 0 286.379 2.505 20 0 CFADRP CCC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000276932125 386083605 /nfs/dbraw/zinc/08/36/05/386083605.db2.gz OLDOMJPHOPSIEG-HUUCEWRRSA-N 2 0 282.453 2.636 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000423264141 533166889 /nfs/dbraw/zinc/16/68/89/533166889.db2.gz YFNVBAGUBADLLU-STQMWFEESA-N 2 0 280.387 2.875 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000423352869 533167487 /nfs/dbraw/zinc/16/74/87/533167487.db2.gz ANNAYSFFMUTJAV-WCQYABFASA-N 2 0 266.360 2.627 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000414118891 533168742 /nfs/dbraw/zinc/16/87/42/533168742.db2.gz BWWADQGENQNYSN-OCCSQVGLSA-N 2 0 264.413 2.852 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000124590855 413014087 /nfs/dbraw/zinc/01/40/87/413014087.db2.gz VKTCLHQKQGLVDA-ZYHUDNBSSA-N 2 0 270.323 2.600 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423472080 533170735 /nfs/dbraw/zinc/17/07/35/533170735.db2.gz XFRNZGDKLVZXOW-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1O ZINC000423269286 533173045 /nfs/dbraw/zinc/17/30/45/533173045.db2.gz FHAUKXSPKKDDIN-FPMFFAJLSA-N 2 0 278.396 2.569 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000423280393 533195167 /nfs/dbraw/zinc/19/51/67/533195167.db2.gz UBLVTSQLEOQWIX-HZPDHXFCSA-N 2 0 264.413 2.965 20 0 CFADRP Fc1cncc([C@@H](NCCC[NH+]2CCCC2)C2CC2)c1 ZINC000281295242 195186065 /nfs/dbraw/zinc/18/60/65/195186065.db2.gz QSKDDGXSTMJWCL-INIZCTEOSA-N 2 0 277.387 2.747 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422892401 533211841 /nfs/dbraw/zinc/21/18/41/533211841.db2.gz YJGNZQINTDVQMZ-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423221682 533221767 /nfs/dbraw/zinc/22/17/67/533221767.db2.gz XQJLHSMKTWGTMI-SDDRHHMPSA-N 2 0 297.830 2.782 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCC(C)(C)C)CCC[NH2+]1 ZINC000423411331 285325703 /nfs/dbraw/zinc/32/57/03/285325703.db2.gz FMAKSVRJEXOIOC-HIFRSBDPSA-N 2 0 256.434 2.559 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)C2CCC(F)(F)CC2)CCC[NH2+]1 ZINC000423413906 285325757 /nfs/dbraw/zinc/32/57/57/285325757.db2.gz LMGUGOYNOLVJJP-OCCSQVGLSA-N 2 0 290.398 2.559 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCc2ccccc2)[C@@H](C)C1 ZINC000682078483 542518838 /nfs/dbraw/zinc/51/88/38/542518838.db2.gz YVNFQGIMBQUZIR-WMZOPIPTSA-N 2 0 290.451 2.865 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000109553770 542554325 /nfs/dbraw/zinc/55/43/25/542554325.db2.gz FUHHEVIFGAXCJY-CYBMUJFWSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@H]1SCC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000133033413 413041335 /nfs/dbraw/zinc/04/13/35/413041335.db2.gz ZFYZNBBZYPMRHQ-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000020200348 542575725 /nfs/dbraw/zinc/57/57/25/542575725.db2.gz KDOVSLUFFARDAL-QGZVFWFLSA-N 2 0 289.467 2.753 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000682645467 542576121 /nfs/dbraw/zinc/57/61/21/542576121.db2.gz HKDZPMCSBGZBQA-MRXNPFEDSA-N 2 0 292.471 2.624 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422816857 285373275 /nfs/dbraw/zinc/37/32/75/285373275.db2.gz GENCEBXPSOLGJN-AGIUHOORSA-N 2 0 296.377 2.699 20 0 CFADRP COc1ncccc1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423143315 533256767 /nfs/dbraw/zinc/25/67/67/533256767.db2.gz WZJSFKQRZBHUGV-HOCLYGCPSA-N 2 0 291.439 2.533 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)cc2c1 ZINC000414858868 533357267 /nfs/dbraw/zinc/35/72/67/533357267.db2.gz SSFPYBFDSVWOES-OLZOCXBDSA-N 2 0 288.391 2.919 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423174814 533360172 /nfs/dbraw/zinc/36/01/72/533360172.db2.gz CAXHSGMRLOYDEB-CQSZACIVSA-N 2 0 299.422 2.580 20 0 CFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414110339 533362786 /nfs/dbraw/zinc/36/27/86/533362786.db2.gz LOKHWHUMJKTBKH-BRWVUGGUSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422882046 533389823 /nfs/dbraw/zinc/38/98/23/533389823.db2.gz AATJUBMFWBEGQU-CZUORRHYSA-N 2 0 271.408 2.831 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414858549 533454114 /nfs/dbraw/zinc/45/41/14/533454114.db2.gz RXPVXIFFYAFZKL-YPMHNXCESA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000414857166 533454677 /nfs/dbraw/zinc/45/46/77/533454677.db2.gz PAUKTXFFTXCNDV-DGCLKSJQSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C1C[NH2+]C1 ZINC000422722519 533403817 /nfs/dbraw/zinc/40/38/17/533403817.db2.gz YFTWILPIQASNNJ-SECBINFHSA-N 2 0 273.207 2.733 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414827867 533410541 /nfs/dbraw/zinc/41/05/41/533410541.db2.gz YOXZOAZLLCVNLH-NFAWXSAZSA-N 2 0 264.388 2.907 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000192925673 533420470 /nfs/dbraw/zinc/42/04/70/533420470.db2.gz ZQZMKRXSXKXQGQ-ZBFHGGJFSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422812989 533420644 /nfs/dbraw/zinc/42/06/44/533420644.db2.gz YTYGJQKMNTWDBE-UKPHBRMFSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(F)c1 ZINC000423321089 533425314 /nfs/dbraw/zinc/42/53/14/533425314.db2.gz GCKHISCSCMUTLB-DOMZBBRYSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423119768 533429459 /nfs/dbraw/zinc/42/94/59/533429459.db2.gz DQELTNFCCVKLCT-RISCZKNCSA-N 2 0 286.341 2.605 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000423123552 533436220 /nfs/dbraw/zinc/43/62/20/533436220.db2.gz MUDDGUKNGKBHCY-IAGOWNOFSA-N 2 0 288.435 2.976 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[NH3+])CCCC2)c1 ZINC000422891239 533436374 /nfs/dbraw/zinc/43/63/74/533436374.db2.gz UXLRUDVHWHDRQM-IAGOWNOFSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000422967943 533523401 /nfs/dbraw/zinc/52/34/01/533523401.db2.gz PVRGXTNHKNJQFY-MXASKKJJSA-N 2 0 258.409 2.910 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422744668 533474857 /nfs/dbraw/zinc/47/48/57/533474857.db2.gz WKPSRBJGAUAWRI-DLBZAZTESA-N 2 0 276.424 2.877 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422744671 533476535 /nfs/dbraw/zinc/47/65/35/533476535.db2.gz WKPSRBJGAUAWRI-SJORKVTESA-N 2 0 276.424 2.877 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000422704437 533497024 /nfs/dbraw/zinc/49/70/24/533497024.db2.gz PQSNGBGVNBCJSY-UONOGXRCSA-N 2 0 289.423 2.591 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)[C@H]1CCC[NH2+]1 ZINC000423166421 533497279 /nfs/dbraw/zinc/49/72/79/533497279.db2.gz CNQVLRHYMLRVKB-SQWLQELKSA-N 2 0 261.413 2.523 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000422888834 533502026 /nfs/dbraw/zinc/50/20/26/533502026.db2.gz OEHNUJVUQNKHOX-CJNGLKHVSA-N 2 0 296.842 2.998 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422809739 533502392 /nfs/dbraw/zinc/50/23/92/533502392.db2.gz QKEXHGDDNAKOPD-VHSXEESVSA-N 2 0 288.313 2.844 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000422763702 533502853 /nfs/dbraw/zinc/50/28/53/533502853.db2.gz UMCMEXUZVPYDEV-SCRDCRAPSA-N 2 0 250.361 2.864 20 0 CFADRP C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422812634 533510926 /nfs/dbraw/zinc/51/09/26/533510926.db2.gz YAGNPPGVNVXUAT-NXHRZFHOSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422812633 533511873 /nfs/dbraw/zinc/51/18/73/533511873.db2.gz YAGNPPGVNVXUAT-NJAFHUGGSA-N 2 0 287.451 2.554 20 0 CFADRP COc1cc(C)c(C[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000415012150 533574485 /nfs/dbraw/zinc/57/44/85/533574485.db2.gz IUISRALJUSZINR-CYBMUJFWSA-N 2 0 280.412 2.619 20 0 CFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000423465105 533575595 /nfs/dbraw/zinc/57/55/95/533575595.db2.gz WMMQEEGETOBZKU-KBPBESRZSA-N 2 0 294.439 2.660 20 0 CFADRP C[C@H](C1C[NH2+]C1)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423169091 533592670 /nfs/dbraw/zinc/59/26/70/533592670.db2.gz ZDFZBLWXKUTUQS-GFCCVEGCSA-N 2 0 294.389 2.827 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422770133 533538327 /nfs/dbraw/zinc/53/83/27/533538327.db2.gz UJPBYYROUDKHQQ-LSDHHAIUSA-N 2 0 275.440 2.545 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000423107875 533539539 /nfs/dbraw/zinc/53/95/39/533539539.db2.gz LKNDEPMQIZQRHN-RYUDHWBXSA-N 2 0 260.385 2.731 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422760511 533553979 /nfs/dbraw/zinc/55/39/79/533553979.db2.gz LXHTVFWTWUXSQP-NSHDSACASA-N 2 0 263.360 2.567 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414775057 533559124 /nfs/dbraw/zinc/55/91/24/533559124.db2.gz GBRZCTVJSBGJLY-GJZGRUSLSA-N 2 0 292.398 2.656 20 0 CFADRP COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422796326 533569707 /nfs/dbraw/zinc/56/97/07/533569707.db2.gz YFNMFRWEVOZDDA-WDEREUQCSA-N 2 0 254.349 2.612 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000414656574 533625166 /nfs/dbraw/zinc/62/51/66/533625166.db2.gz NJUPPOPWTDMZLM-GFCCVEGCSA-N 2 0 272.314 2.794 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423136424 533642562 /nfs/dbraw/zinc/64/25/62/533642562.db2.gz ZAQKQNBVDFNRMD-QTXGHNMQSA-N 2 0 288.435 2.854 20 0 CFADRP COc1ccc(C[NH2+]CCCC[NH3+])cc1OCC(C)C ZINC000414905942 533661198 /nfs/dbraw/zinc/66/11/98/533661198.db2.gz OUBFYLQMSPUNHI-UHFFFAOYSA-N 2 0 280.412 2.559 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c2ccccc2O1 ZINC000423164596 533657441 /nfs/dbraw/zinc/65/74/41/533657441.db2.gz XCYODVDKHOANHO-RRCSTGOVSA-N 2 0 274.408 2.876 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414889188 533662147 /nfs/dbraw/zinc/66/21/47/533662147.db2.gz KZXQBYDTEIGKCU-XHDPSFHLSA-N 2 0 298.377 2.936 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414821683 533669938 /nfs/dbraw/zinc/66/99/38/533669938.db2.gz BNUNYCPHKFKFLW-ZFWWWQNUSA-N 2 0 264.388 2.736 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000341966134 130178828 /nfs/dbraw/zinc/17/88/28/130178828.db2.gz HYQBGDBTIZORKC-CYBMUJFWSA-N 2 0 295.858 2.980 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000342122471 130279167 /nfs/dbraw/zinc/27/91/67/130279167.db2.gz CBZJWGFLGKOXFR-PJODQICGSA-N 2 0 294.826 2.908 20 0 CFADRP COC1(C[NH2+]C2CCC(C[NH+](C)C)CC2)CCCC1 ZINC000359673971 130529138 /nfs/dbraw/zinc/52/91/38/130529138.db2.gz FLTGSDSASZYDNW-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000249380300 131121160 /nfs/dbraw/zinc/12/11/60/131121160.db2.gz QBOHTSDUIGYWHY-HZPDHXFCSA-N 2 0 298.434 2.865 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)CC1 ZINC000683357926 542671272 /nfs/dbraw/zinc/67/12/72/542671272.db2.gz YQBTZIZWGOLLJZ-HZPDHXFCSA-N 2 0 288.435 2.969 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CO2 ZINC000423484442 285504968 /nfs/dbraw/zinc/50/49/68/285504968.db2.gz RDAZGJMLQKVVMA-JKSUJKDBSA-N 2 0 274.408 2.502 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@H]1[NH3+] ZINC000299976397 393464874 /nfs/dbraw/zinc/46/48/74/393464874.db2.gz CUWDCMHKXNMXFJ-QLFBSQMISA-N 2 0 266.429 2.537 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300079016 393464931 /nfs/dbraw/zinc/46/49/31/393464931.db2.gz PUOYEKYHQBABHZ-NUEKZKHPSA-N 2 0 250.430 2.910 20 0 CFADRP Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)cc[nH+]1 ZINC000373447370 393467138 /nfs/dbraw/zinc/46/71/38/393467138.db2.gz IWIPLRQUJYSGHI-CQSZACIVSA-N 2 0 259.397 2.843 20 0 CFADRP CC(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374775279 393502307 /nfs/dbraw/zinc/50/23/07/393502307.db2.gz CUSDWIJVBAFQQN-RBSFLKMASA-N 2 0 268.470 2.544 20 0 CFADRP CC(C)COCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375597305 393508983 /nfs/dbraw/zinc/50/89/83/393508983.db2.gz KGVZIQCFBGMFDG-RDJZCZTQSA-N 2 0 280.456 2.608 20 0 CFADRP CCOC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000311699929 393520344 /nfs/dbraw/zinc/52/03/44/393520344.db2.gz LUTIJHPQGYVBGW-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000036300782 393523603 /nfs/dbraw/zinc/52/36/03/393523603.db2.gz AIWSAJKLILOZIR-UHFFFAOYSA-N 2 0 276.424 2.756 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684383577 542797401 /nfs/dbraw/zinc/79/74/01/542797401.db2.gz WTPJUOZKHUYERW-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262011038 289003101 /nfs/dbraw/zinc/00/31/01/289003101.db2.gz VCCXBILOWFSBIB-ZYHUDNBSSA-N 2 0 264.335 2.649 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](C)C[NH+](C)C ZINC000380424497 393556306 /nfs/dbraw/zinc/55/63/06/393556306.db2.gz IQUXVGWOVRJSIN-SUMWQHHRSA-N 2 0 276.424 2.860 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684378466 542796207 /nfs/dbraw/zinc/79/62/07/542796207.db2.gz WIYMKLFLICQVNE-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H](C)c1ccccc1F ZINC000383746441 393575558 /nfs/dbraw/zinc/57/55/58/393575558.db2.gz LKVQDYYOSRFRGJ-ZIAGYGMSSA-N 2 0 282.403 2.520 20 0 CFADRP C[NH+](C)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000334316884 393593075 /nfs/dbraw/zinc/59/30/75/393593075.db2.gz PKZIOZYICFBTNH-UHFFFAOYSA-N 2 0 255.365 2.765 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000401740339 393604557 /nfs/dbraw/zinc/60/45/57/393604557.db2.gz IVUIGBFPNWHRPG-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000191822660 393608626 /nfs/dbraw/zinc/60/86/26/393608626.db2.gz LJVGEBZNAVSNKH-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000051669205 393617409 /nfs/dbraw/zinc/61/74/09/393617409.db2.gz JCCNFQHTLTVZMZ-YQQAZPJKSA-N 2 0 260.425 2.856 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000051693036 393617536 /nfs/dbraw/zinc/61/75/36/393617536.db2.gz WSQFNFIWJRSCAE-QFWMXSHPSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000335008176 393633236 /nfs/dbraw/zinc/63/32/36/393633236.db2.gz HQKVRHFLLMHEOF-HOCLYGCPSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000335495012 393672860 /nfs/dbraw/zinc/67/28/60/393672860.db2.gz GWMAWKTYPUFOJM-AAEUAGOBSA-N 2 0 260.372 2.932 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000337246683 393755704 /nfs/dbraw/zinc/75/57/04/393755704.db2.gz HQMZBGAFHVTAJU-LSDHHAIUSA-N 2 0 256.434 2.654 20 0 CFADRP c1ncc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000411393721 393707384 /nfs/dbraw/zinc/70/73/84/393707384.db2.gz AQPZMCVYJMMCGF-CJNGLKHVSA-N 2 0 291.464 2.634 20 0 CFADRP CC(C)c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219791321 393760397 /nfs/dbraw/zinc/76/03/97/393760397.db2.gz PKOYUXYUTWYKOY-DLBZAZTESA-N 2 0 258.409 2.994 20 0 CFADRP CC[C@@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080201225 393724238 /nfs/dbraw/zinc/72/42/38/393724238.db2.gz SWPJCFOOROWGFX-GOSISDBHSA-N 2 0 292.467 2.895 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337394313 393761060 /nfs/dbraw/zinc/76/10/60/393761060.db2.gz IJTIIXQWBJTVGR-FRRDWIJNSA-N 2 0 276.371 2.611 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222909886 393764396 /nfs/dbraw/zinc/76/43/96/393764396.db2.gz IIQGQYDDQDDLTE-PEYYIBSZSA-N 2 0 275.396 2.566 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000222927758 393764407 /nfs/dbraw/zinc/76/44/07/393764407.db2.gz HPBKOXZZVHLBTN-YNEHKIRRSA-N 2 0 278.396 2.624 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2CCCF)CC1(C)C ZINC000338014704 393772550 /nfs/dbraw/zinc/77/25/50/393772550.db2.gz WTFZQVDMQOUZKM-HOTGVXAUSA-N 2 0 299.478 2.520 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000229218447 393776710 /nfs/dbraw/zinc/77/67/10/393776710.db2.gz DINUPFQPAAKRNL-ILXRZTDVSA-N 2 0 268.470 2.640 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000234785432 393783645 /nfs/dbraw/zinc/78/36/45/393783645.db2.gz ZLRFFGIDIDEDIF-ILXRZTDVSA-N 2 0 256.434 2.546 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(C[NH3+])CCCC1 ZINC000237050314 393791552 /nfs/dbraw/zinc/79/15/52/393791552.db2.gz VDVNBGFDGZBFGP-UHFFFAOYSA-N 2 0 289.423 2.514 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414180445 393797060 /nfs/dbraw/zinc/79/70/60/393797060.db2.gz BBPSCOQQBRAVMP-MIGQKNRLSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414682022 393802269 /nfs/dbraw/zinc/80/22/69/393802269.db2.gz QMOJYPFJWNKXJM-CVEARBPZSA-N 2 0 276.424 2.694 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597469 393802546 /nfs/dbraw/zinc/80/25/46/393802546.db2.gz SLLCCFWYXOCRIC-AWEZNQCLSA-N 2 0 264.438 2.974 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735605 393804400 /nfs/dbraw/zinc/80/44/00/393804400.db2.gz FTVGVXMVBCNTJT-OAGGEKHMSA-N 2 0 290.455 2.818 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[NH3+])CC3 ZINC000414912944 393808837 /nfs/dbraw/zinc/80/88/37/393808837.db2.gz VJADYWVFMKEQMA-ZDUSSCGKSA-N 2 0 271.408 2.662 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424271546 393809541 /nfs/dbraw/zinc/80/95/41/393809541.db2.gz SDVIOQQAEVDUFR-ZOFXXKQRSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415019078 393810149 /nfs/dbraw/zinc/81/01/49/393810149.db2.gz RJOWOCMUQUEFPO-MCIONIFRSA-N 2 0 291.439 2.852 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000415054475 393810770 /nfs/dbraw/zinc/81/07/70/393810770.db2.gz NNHKOUMOZJOLFA-IKKRTKPYSA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056270 393810992 /nfs/dbraw/zinc/81/09/92/393810992.db2.gz PQSRRLXOAZAHKM-ZGUYJTEBSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415082527 393811165 /nfs/dbraw/zinc/81/11/65/393811165.db2.gz ONDOJFIFBWPVFM-MRXNPFEDSA-N 2 0 276.424 2.662 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3N(C)CCCC3(C)C)C[C@H]2C1 ZINC000424347684 393837999 /nfs/dbraw/zinc/83/79/99/393837999.db2.gz KZIYXTCFJOABBL-UTSKFRMZSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCN(C)c1ccccc1)CC[NH2+]CC2 ZINC000424285105 393814632 /nfs/dbraw/zinc/81/46/32/393814632.db2.gz FCYGMFWUVIFXPQ-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP c1cn(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000339072180 393814863 /nfs/dbraw/zinc/81/48/63/393814863.db2.gz TYUNQDNPGLVCFK-FUHWJXTLSA-N 2 0 296.418 2.589 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289698 393815639 /nfs/dbraw/zinc/81/56/39/393815639.db2.gz MICIZNBMACMNPW-HNNXBMFYSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424291946 393815728 /nfs/dbraw/zinc/81/57/28/393815728.db2.gz MNQQOVKTENAQNX-WOOFSFRISA-N 2 0 250.430 2.741 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1OC ZINC000245858665 393831262 /nfs/dbraw/zinc/83/12/62/393831262.db2.gz HMVIKMWYAAYSFH-BMFZPTHFSA-N 2 0 280.456 2.654 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C1(C)C ZINC000245880270 393832516 /nfs/dbraw/zinc/83/25/16/393832516.db2.gz KTIIXMLWZWNRRF-LJISPDSOSA-N 2 0 268.445 2.652 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000246410154 393866369 /nfs/dbraw/zinc/86/63/69/393866369.db2.gz MJPAUNIWHHGKCD-BFYDXBDKSA-N 2 0 260.425 2.856 20 0 CFADRP CC(C)n1cncc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000425386964 393878584 /nfs/dbraw/zinc/87/85/84/393878584.db2.gz UNOQTRSXHWOPLX-INIZCTEOSA-N 2 0 290.455 2.628 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H](C)C1 ZINC000246813291 393885597 /nfs/dbraw/zinc/88/55/97/393885597.db2.gz AGPHBMPGGXIJOJ-SMDDNHRTSA-N 2 0 281.469 2.622 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246824543 393886674 /nfs/dbraw/zinc/88/66/74/393886674.db2.gz BJBCQNGHXMWKIR-MUIFIZLQSA-N 2 0 276.424 2.692 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246982595 393890773 /nfs/dbraw/zinc/89/07/73/393890773.db2.gz VXZJUEXOOXFHSB-WMZOPIPTSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000247006154 393891727 /nfs/dbraw/zinc/89/17/27/393891727.db2.gz SWCAUDMDZCWQOV-ARFHVFGLSA-N 2 0 280.456 2.652 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515132 393897549 /nfs/dbraw/zinc/89/75/49/393897549.db2.gz ZEHAOMNGCYRMGE-QGZVFWFLSA-N 2 0 290.451 2.956 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000345062351 393905534 /nfs/dbraw/zinc/90/55/34/393905534.db2.gz JJHKVEAOYRYUDE-UBDQQSCGSA-N 2 0 288.435 2.694 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340308091 393840926 /nfs/dbraw/zinc/84/09/26/393840926.db2.gz WSQXUUVQRYGKBO-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@]2(C)CCCO2)C1 ZINC000246158685 393851223 /nfs/dbraw/zinc/85/12/23/393851223.db2.gz DANGHGOTNWTASD-BPQIPLTHSA-N 2 0 288.435 2.981 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC000416399099 393914818 /nfs/dbraw/zinc/91/48/18/393914818.db2.gz GKOGZJSQABQJPE-GXFFZTMASA-N 2 0 274.368 2.802 20 0 CFADRP Cc1ccc2[nH]c(C[NH2+]CCC[NH+](C)C)cc2c1C ZINC000471980477 393927225 /nfs/dbraw/zinc/92/72/25/393927225.db2.gz RQUJILRUOUROJG-UHFFFAOYSA-N 2 0 259.397 2.826 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000474468178 393943724 /nfs/dbraw/zinc/94/37/24/393943724.db2.gz DHYYUTPDQDRILQ-SJLPKXTDSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000474725020 393945376 /nfs/dbraw/zinc/94/53/76/393945376.db2.gz DFSVAMUDPYHGIG-RCCFBDPRSA-N 2 0 296.499 2.884 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](CC(C)C)OC)CC1 ZINC000417369533 393952007 /nfs/dbraw/zinc/95/20/07/393952007.db2.gz PKRGYDMXLVHPCP-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261582557 393948608 /nfs/dbraw/zinc/94/86/08/393948608.db2.gz GQTIFANTIMOQLU-IRXDYDNUSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348227424 393949191 /nfs/dbraw/zinc/94/91/91/393949191.db2.gz DJINPUWSLZJZEX-OVWQWFNUSA-N 2 0 290.451 2.646 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@@](C)(O)C3)CC2)C1 ZINC000417411002 393958657 /nfs/dbraw/zinc/95/86/57/393958657.db2.gz WEDLLGAAALNRBG-SIXLDLHFSA-N 2 0 280.456 2.533 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3coc4ccccc34)C2)C1 ZINC000430135261 393960969 /nfs/dbraw/zinc/96/09/69/393960969.db2.gz QIMRKTYMNBJBNF-KRWDZBQOSA-N 2 0 270.376 2.960 20 0 CFADRP C[C@H]1CC(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)C1 ZINC000479747824 393966346 /nfs/dbraw/zinc/96/63/46/393966346.db2.gz CYUHCUMGAPEYSE-XOUADPBQSA-N 2 0 250.430 2.600 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC1CCCC1 ZINC000349338778 393968263 /nfs/dbraw/zinc/96/82/63/393968263.db2.gz ATXQKEYFRKVYHT-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[NH2+]C/C=C/c1ccncc1)C[NH+]1CCCCC1 ZINC000486927157 393972664 /nfs/dbraw/zinc/97/26/64/393972664.db2.gz KQJPNCUURCASCF-SQRWCISFSA-N 2 0 273.424 2.806 20 0 CFADRP C(=C/c1ccncc1)\C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000486946250 393973050 /nfs/dbraw/zinc/97/30/50/393973050.db2.gz ZMJYVWCMEWWGDB-ZLHKHBAESA-N 2 0 293.414 2.959 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC)CC1 ZINC000126280819 394024599 /nfs/dbraw/zinc/02/45/99/394024599.db2.gz WGRJWKDMUSOYEZ-UHFFFAOYSA-N 2 0 275.440 2.670 20 0 CFADRP CCc1cccc(OCC[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000430550451 393992488 /nfs/dbraw/zinc/99/24/88/393992488.db2.gz OQEBTLPQLIKNFJ-INIZCTEOSA-N 2 0 264.413 2.591 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000124330407 393993257 /nfs/dbraw/zinc/99/32/57/393993257.db2.gz ZNPWCHXZGDPSTF-HIFRSBDPSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000430584874 393996754 /nfs/dbraw/zinc/99/67/54/393996754.db2.gz PORSMJOMPAAPIQ-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](C[NH3+])C1 ZINC000430604532 393997830 /nfs/dbraw/zinc/99/78/30/393997830.db2.gz QOKOHFGHAZAAPA-LBPRGKRZSA-N 2 0 291.420 2.882 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccon1 ZINC000268976027 393997907 /nfs/dbraw/zinc/99/79/07/393997907.db2.gz NJXRIHRVNOAOGS-WMLDXEAASA-N 2 0 285.391 2.675 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000126345554 394025891 /nfs/dbraw/zinc/02/58/91/394025891.db2.gz VBEBSIYPJDFRRH-ZDUSSCGKSA-N 2 0 279.453 2.760 20 0 CFADRP [NH3+]C1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000430612554 393999748 /nfs/dbraw/zinc/99/97/48/393999748.db2.gz RVFUUHPMLYLXAT-UHFFFAOYSA-N 2 0 297.402 2.592 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000430968775 394007837 /nfs/dbraw/zinc/00/78/37/394007837.db2.gz XIVBDXPLWYOSAG-LSDHHAIUSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H](CC[NH2+]C/C=C/c1ccncc1)[NH+]1CCCCC1 ZINC000487538705 394009266 /nfs/dbraw/zinc/00/92/66/394009266.db2.gz NMKPFOXDLUCQKJ-JFDDCEBESA-N 2 0 273.424 2.949 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C/C=C\c2ccncc2)CCCC1 ZINC000487559233 394011410 /nfs/dbraw/zinc/01/14/10/394011410.db2.gz MJTJYSUELJOMOF-WAYWQWQTSA-N 2 0 273.424 2.806 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000126360180 394026825 /nfs/dbraw/zinc/02/68/25/394026825.db2.gz NDYMMDOZBUPWJH-KRWDZBQOSA-N 2 0 290.476 2.948 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000354166173 394042159 /nfs/dbraw/zinc/04/21/59/394042159.db2.gz JDRRXECBGUYFCZ-GVDBMIGSSA-N 2 0 280.456 2.609 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000358269252 394100946 /nfs/dbraw/zinc/10/09/46/394100946.db2.gz UMKDRYKBKROLHB-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C)c(C)s2)[C@H](C)C1 ZINC000127712067 394055006 /nfs/dbraw/zinc/05/50/06/394055006.db2.gz AGPHBMPGGXIJOJ-RISCZKNCSA-N 2 0 281.469 2.622 20 0 CFADRP CC1CCC(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000355229231 394061239 /nfs/dbraw/zinc/06/12/39/394061239.db2.gz YSOIMQBCOJXNGF-NHHFINERSA-N 2 0 294.483 2.996 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419929258 394069433 /nfs/dbraw/zinc/06/94/33/394069433.db2.gz ZZRXIPAYFOLMGN-AWEZNQCLSA-N 2 0 297.487 2.582 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000281118454 394075579 /nfs/dbraw/zinc/07/55/79/394075579.db2.gz DBNRNDIDZIHFMR-HNNXBMFYSA-N 2 0 280.387 2.753 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000129071124 394081564 /nfs/dbraw/zinc/08/15/64/394081564.db2.gz ONYCPHWWRVPXND-ZDUSSCGKSA-N 2 0 250.361 2.566 20 0 CFADRP COc1cccc2c(N[C@H]3CCC[C@@H]([NH3+])C3)ccnc12 ZINC000420244831 394104196 /nfs/dbraw/zinc/10/41/96/394104196.db2.gz YMVDCUIEBSNWMA-NEPJUHHUSA-N 2 0 271.364 2.925 20 0 CFADRP C[C@H](O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000438988149 394092853 /nfs/dbraw/zinc/09/28/53/394092853.db2.gz QXKGCOFQDABMGN-INIZCTEOSA-N 2 0 290.451 2.601 20 0 CFADRP C[NH2+]C[C@@H](C)CNc1ccnc2c(OC)cccc12 ZINC000420216649 394097146 /nfs/dbraw/zinc/09/71/46/394097146.db2.gz XBRGNDAXKMXKIQ-LLVKDONJSA-N 2 0 259.353 2.511 20 0 CFADRP COc1cc2c(NCCCC[NH3+])cc[nH+]c2cc1F ZINC000420227013 394099725 /nfs/dbraw/zinc/09/97/25/394099725.db2.gz BGRXGORJZJOLDP-UHFFFAOYSA-N 2 0 263.316 2.533 20 0 CFADRP CC[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)OC ZINC000419269175 394035617 /nfs/dbraw/zinc/03/56/17/394035617.db2.gz OGOXJJDYRBYHAC-OAHLLOKOSA-N 2 0 299.418 2.782 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000353842520 394037126 /nfs/dbraw/zinc/03/71/26/394037126.db2.gz FSFHSNDZNDHCAB-MRXNPFEDSA-N 2 0 279.403 2.849 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358778487 394112498 /nfs/dbraw/zinc/11/24/98/394112498.db2.gz TYXUVSFJUVUGSL-STQMWFEESA-N 2 0 256.459 2.733 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000130540486 394112764 /nfs/dbraw/zinc/11/27/64/394112764.db2.gz RYDFLHNDXXDVRI-CWVYHPPDSA-N 2 0 250.430 2.872 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000420281053 394115107 /nfs/dbraw/zinc/11/51/07/394115107.db2.gz LZRNHNZKVFAWBQ-UONOGXRCSA-N 2 0 269.392 2.895 20 0 CFADRP CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130610207 394115113 /nfs/dbraw/zinc/11/51/13/394115113.db2.gz FDHSSOQENBPRFB-IMJJTQAJSA-N 2 0 274.408 2.645 20 0 CFADRP Cc1c[nH+]ccc1NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000358943602 394116350 /nfs/dbraw/zinc/11/63/50/394116350.db2.gz DDVFKCGLJIIQBW-GASCZTMLSA-N 2 0 275.440 2.982 20 0 CFADRP C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000420304376 394116567 /nfs/dbraw/zinc/11/65/67/394116567.db2.gz OJAGZSXCBPJHQA-NVXWUHKLSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCc2cccc3ccccc32)CCCO1 ZINC000420383155 394119578 /nfs/dbraw/zinc/11/95/78/394119578.db2.gz FFQSEBOBWHYASF-GOSISDBHSA-N 2 0 298.430 2.822 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1COc2ccccc21 ZINC000420403201 394119613 /nfs/dbraw/zinc/11/96/13/394119613.db2.gz KUIOYZLKTQZMAC-XJKSGUPXSA-N 2 0 274.408 2.530 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000493083436 394142809 /nfs/dbraw/zinc/14/28/09/394142809.db2.gz WPURFAOCECPYHV-CVEARBPZSA-N 2 0 291.439 2.575 20 0 CFADRP CCCCOCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000132017236 394145169 /nfs/dbraw/zinc/14/51/69/394145169.db2.gz XWORJUMJNCWHAW-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CO[C@](C)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000361005355 394162846 /nfs/dbraw/zinc/16/28/46/394162846.db2.gz VGOJOJAFOZEMIO-QGZVFWFLSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422837079 394256037 /nfs/dbraw/zinc/25/60/37/394256037.db2.gz LGPPMUJUISOGOB-QZTJIDSGSA-N 3 0 295.515 2.994 20 0 CFADRP Cc1ccc2ncc(C[NH2+]C3CCC([NH+](C)C)CC3)n2c1 ZINC000421377547 394209811 /nfs/dbraw/zinc/20/98/11/394209811.db2.gz STSJDBAQBCHDEM-UHFFFAOYSA-N 2 0 286.423 2.605 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)c2ccccc21 ZINC000422814716 394256563 /nfs/dbraw/zinc/25/65/63/394256563.db2.gz VYLHWXFPSOLANA-HZPDHXFCSA-N 2 0 274.408 2.664 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422829241 394256870 /nfs/dbraw/zinc/25/68/70/394256870.db2.gz PTBCTMJKHRSBDW-LSDHHAIUSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449132513 394223720 /nfs/dbraw/zinc/22/37/20/394223720.db2.gz UUTUZAHIIYYOEM-GFCCVEGCSA-N 2 0 282.378 3.000 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449133649 394224521 /nfs/dbraw/zinc/22/45/21/394224521.db2.gz ZGMVLUUZNVQOAZ-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422891546 394258083 /nfs/dbraw/zinc/25/80/83/394258083.db2.gz VUECQXSWTWBIPO-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000365583807 394232412 /nfs/dbraw/zinc/23/24/12/394232412.db2.gz ZIMXIPYDATYINN-BBRMVZONSA-N 2 0 287.432 2.978 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000449161280 394235911 /nfs/dbraw/zinc/23/59/11/394235911.db2.gz FEZNVXVMXBCORE-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449161562 394235942 /nfs/dbraw/zinc/23/59/42/394235942.db2.gz PIIREWNRSPTCEV-DOTOQJQBSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422914851 394258536 /nfs/dbraw/zinc/25/85/36/394258536.db2.gz WGMDOXQNVUSHFH-CRAIPNDOSA-N 2 0 289.467 2.757 20 0 CFADRP CCCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000151037982 394258979 /nfs/dbraw/zinc/25/89/79/394258979.db2.gz JMKIJQOCQJJRMQ-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCC1 ZINC000449195896 394248608 /nfs/dbraw/zinc/24/86/08/394248608.db2.gz WVJLKOCLVVXRFX-GVDBMIGSSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCC1 ZINC000449195895 394248942 /nfs/dbraw/zinc/24/89/42/394248942.db2.gz WVJLKOCLVVXRFX-BBWFWOEESA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422752751 394254182 /nfs/dbraw/zinc/25/41/82/394254182.db2.gz FIEPGMOJJDORHE-TWMKSMIVSA-N 2 0 295.515 2.850 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(COC)CC2)CC1 ZINC000449217782 394254936 /nfs/dbraw/zinc/25/49/36/394254936.db2.gz BRNMACDVNJBAEC-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000422769785 394255031 /nfs/dbraw/zinc/25/50/31/394255031.db2.gz PPAAGIIBGYEHAV-XUWVNRHRSA-N 2 0 282.472 2.804 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000422960725 394260131 /nfs/dbraw/zinc/26/01/31/394260131.db2.gz XNWHNZXWSICADQ-XHDPSFHLSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422964690 394260290 /nfs/dbraw/zinc/26/02/90/394260290.db2.gz MNMUCQTXBXGKKB-KKUMJFAQSA-N 2 0 279.428 2.522 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000151881863 394264552 /nfs/dbraw/zinc/26/45/52/394264552.db2.gz RFDSSWVOMBOLHA-KRWDZBQOSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000423074152 394264618 /nfs/dbraw/zinc/26/46/18/394264618.db2.gz UEPPOQGQISAWOR-GHMZBOCLSA-N 2 0 272.339 2.546 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CC12CCCC2 ZINC000423077978 394265490 /nfs/dbraw/zinc/26/54/90/394265490.db2.gz UYJPQPHHHFUJDQ-BPUTZDHNSA-N 2 0 258.409 2.867 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423081054 394266320 /nfs/dbraw/zinc/26/63/20/394266320.db2.gz AXHNUYKHYPNYNG-CRAIPNDOSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423081353 394266338 /nfs/dbraw/zinc/26/63/38/394266338.db2.gz BJHRSKHZYQYCRU-XYJFISCASA-N 2 0 287.451 2.633 20 0 CFADRP COC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000423079804 394266436 /nfs/dbraw/zinc/26/64/36/394266436.db2.gz AZCDVPNPAXHFID-YMAMQOFZSA-N 2 0 282.815 2.887 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423080783 394266612 /nfs/dbraw/zinc/26/66/12/394266612.db2.gz AMHPLGASNQIMBW-QBPKDAKJSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423086726 394267790 /nfs/dbraw/zinc/26/77/90/394267790.db2.gz NUSRMAMJDFLTEZ-DETPVDSQSA-N 2 0 262.372 2.659 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092430 394269251 /nfs/dbraw/zinc/26/92/51/394269251.db2.gz BWEOVNQVLSZXQM-IXPVHAAZSA-N 2 0 268.351 2.928 20 0 CFADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000423092983 394269561 /nfs/dbraw/zinc/26/95/61/394269561.db2.gz FCUCNSWYILNIKM-RCBQFDQVSA-N 2 0 280.362 2.943 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000423126680 394271445 /nfs/dbraw/zinc/27/14/45/394271445.db2.gz SIHGPEYFKXGEFT-GRDNDAEWSA-N 2 0 288.435 2.796 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000152175930 394272361 /nfs/dbraw/zinc/27/23/61/394272361.db2.gz VDILXWLNYVGOGW-YOEHRIQHSA-N 2 0 294.389 2.923 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423242359 394274326 /nfs/dbraw/zinc/27/43/26/394274326.db2.gz FIKDUZWYEXYCBX-ZBFHGGJFSA-N 2 0 274.408 2.798 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC3(CC3)C2)CC1 ZINC000449370907 394274650 /nfs/dbraw/zinc/27/46/50/394274650.db2.gz OGLOYAMPGQOHHB-UHFFFAOYSA-N 2 0 299.462 2.814 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCCCN1CCO ZINC000449388566 394274878 /nfs/dbraw/zinc/27/48/78/394274878.db2.gz AMXXGBLIOCRVAN-ARFHVFGLSA-N 2 0 270.461 2.638 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449388569 394275035 /nfs/dbraw/zinc/27/50/35/394275035.db2.gz AMXXGBLIOCRVAN-XHSDSOJGSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423265173 394275218 /nfs/dbraw/zinc/27/52/18/394275218.db2.gz ZMOCGLFIHJFEKD-GDBMZVCRSA-N 2 0 261.413 2.758 20 0 CFADRP CCC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccnc1 ZINC000423317007 394276532 /nfs/dbraw/zinc/27/65/32/394276532.db2.gz BCAZIGSYJKHQSV-HNNXBMFYSA-N 2 0 261.413 2.902 20 0 CFADRP C([NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000423307662 394277057 /nfs/dbraw/zinc/27/70/57/394277057.db2.gz WGYMUNNGVDMECD-CVEARBPZSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC[NH2+]CC1 ZINC000423346280 394277663 /nfs/dbraw/zinc/27/76/63/394277663.db2.gz ZRKBWRAISYTBED-BZUAXINKSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423347671 394278283 /nfs/dbraw/zinc/27/82/83/394278283.db2.gz RQOPFTOLONXFQU-FMKPAKJESA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000423400959 394279681 /nfs/dbraw/zinc/27/96/81/394279681.db2.gz QNZCZFZPDDRGDB-GRDNDAEWSA-N 2 0 284.407 2.521 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1nccc2ccccc21 ZINC000423390344 394279907 /nfs/dbraw/zinc/27/99/07/394279907.db2.gz KBCKSDPFHJJBPH-WWGRRREGSA-N 2 0 269.392 2.883 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000423399701 394279936 /nfs/dbraw/zinc/27/99/36/394279936.db2.gz PUWLFXJBPWJPCO-GVXVVHGQSA-N 2 0 264.438 2.885 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423374182 394280165 /nfs/dbraw/zinc/28/01/65/394280165.db2.gz HYVDCQMFGYCAOL-ZMLRMANQSA-N 2 0 267.442 2.934 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423420629 394280555 /nfs/dbraw/zinc/28/05/55/394280555.db2.gz BQLBRKCEWVQMDS-NXHRZFHOSA-N 2 0 289.467 2.929 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@@H](C)O ZINC000449541687 394280980 /nfs/dbraw/zinc/28/09/80/394280980.db2.gz KTDPVLIXVPIKEZ-HDEZJCGLSA-N 2 0 282.472 2.779 20 0 CFADRP CCC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CCCC1 ZINC000423416368 394281200 /nfs/dbraw/zinc/28/12/00/394281200.db2.gz QJUKBBXSLRNWGI-HOTGVXAUSA-N 2 0 268.445 2.704 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000423440616 394281945 /nfs/dbraw/zinc/28/19/45/394281945.db2.gz UBGZSLVHMXMVGG-HLIUYOAVSA-N 2 0 284.444 2.606 20 0 CFADRP CC[C@H]([NH3+])C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423455260 394282110 /nfs/dbraw/zinc/28/21/10/394282110.db2.gz CDINBQYGNLFBKS-AOCRQIFASA-N 3 0 289.467 2.757 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C[NH+](C)C ZINC000293282435 394282385 /nfs/dbraw/zinc/28/23/85/394282385.db2.gz CVTXULXIPNPADX-ABAIWWIYSA-N 2 0 250.361 2.600 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000423508909 394285423 /nfs/dbraw/zinc/28/54/23/394285423.db2.gz RDBBZZFTHKJCRX-KBMXLJTQSA-N 2 0 262.397 2.624 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CCOC1 ZINC000423514411 394287213 /nfs/dbraw/zinc/28/72/13/394287213.db2.gz WMALPSRGYXKUJA-YESZJQIVSA-N 2 0 276.424 2.871 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423515121 394287420 /nfs/dbraw/zinc/28/74/20/394287420.db2.gz SPVIULDBPWQQMN-PWIZGLKMSA-N 2 0 288.435 2.904 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(C)c1OC ZINC000423520491 394289214 /nfs/dbraw/zinc/28/92/14/394289214.db2.gz WHJNGHOHFMUWNR-MJBXVCDLSA-N 2 0 292.423 2.790 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000153729961 394290548 /nfs/dbraw/zinc/29/05/48/394290548.db2.gz VPGKWRJSRHTYLJ-INIZCTEOSA-N 2 0 292.467 2.911 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527685 394291172 /nfs/dbraw/zinc/29/11/72/394291172.db2.gz NCMHTRDRWAAVFC-RCBNQGHTSA-N 2 0 262.441 2.918 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@@H]2CCCC[NH+]2C[C@H]1C ZINC000450416724 394291690 /nfs/dbraw/zinc/29/16/90/394291690.db2.gz HPBVKZIIKPHEED-SQNIBIBYSA-N 2 0 293.499 2.808 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCCOC1 ZINC000423531585 394292374 /nfs/dbraw/zinc/29/23/74/394292374.db2.gz SWWWYLNNBBHTRH-VOEJLLMWSA-N 2 0 292.467 2.545 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537051 394294162 /nfs/dbraw/zinc/29/41/62/394294162.db2.gz IVOQKTFXNDXATP-OAHLLOKOSA-N 2 0 290.382 2.721 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538918 394294259 /nfs/dbraw/zinc/29/42/59/394294259.db2.gz HGWMOZNXQCCZIU-QHSOUUPTSA-N 2 0 292.373 2.930 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)ccc1F ZINC000423543240 394294712 /nfs/dbraw/zinc/29/47/12/394294712.db2.gz UTTWLJHVSFOYDR-LBPRGKRZSA-N 2 0 278.371 2.795 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541519 394294850 /nfs/dbraw/zinc/29/48/50/394294850.db2.gz SBQZZJQQBKSTMG-MRXNPFEDSA-N 2 0 290.382 2.939 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423544315 394295092 /nfs/dbraw/zinc/29/50/92/394295092.db2.gz IOUKJZZCUMBIJZ-JARUQAPTSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423549584 394295561 /nfs/dbraw/zinc/29/55/61/394295561.db2.gz HVGVTZKWLITMSP-AWEZNQCLSA-N 2 0 261.413 2.525 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450626285 394302277 /nfs/dbraw/zinc/30/22/77/394302277.db2.gz RWVQRQTVELQHMK-HRBLRVMOSA-N 2 0 293.499 2.664 20 0 CFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000296579702 394310673 /nfs/dbraw/zinc/31/06/73/394310673.db2.gz VWDUXMDNJHISHB-HNNXBMFYSA-N 2 0 295.496 2.815 20 0 CFADRP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000155174967 394310993 /nfs/dbraw/zinc/31/09/93/394310993.db2.gz CZBFZVIJFMQQGY-HOCLYGCPSA-N 2 0 268.445 2.652 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297348715 394314598 /nfs/dbraw/zinc/31/45/98/394314598.db2.gz JYKVBBBNPZNIFI-CVEARBPZSA-N 2 0 294.826 2.759 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493916168 394336843 /nfs/dbraw/zinc/33/68/43/394336843.db2.gz HJIKGECPGYHRMT-OWCLPIDISA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000450862154 394342340 /nfs/dbraw/zinc/34/23/40/394342340.db2.gz ZRBPWKYPARUHNV-SJORKVTESA-N 2 0 281.488 2.665 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000157227496 394343026 /nfs/dbraw/zinc/34/30/26/394343026.db2.gz QTLLHXBZVBHAGB-HSMVNMDESA-N 2 0 282.378 2.826 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157219140 394343059 /nfs/dbraw/zinc/34/30/59/394343059.db2.gz YCUVPEZPNKUIOX-MLGOLLRUSA-N 2 0 282.378 2.827 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000157920118 394351998 /nfs/dbraw/zinc/35/19/98/394351998.db2.gz HTVJDTPEOFHKQJ-KSZLIROESA-N 3 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000158373994 394356993 /nfs/dbraw/zinc/35/69/93/394356993.db2.gz SKOMZHMGZDZUAU-AESZEHBQSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453375224 394392286 /nfs/dbraw/zinc/39/22/86/394392286.db2.gz IAAUHMBPFDYSMX-ILXRZTDVSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158897849 394361965 /nfs/dbraw/zinc/36/19/65/394361965.db2.gz LUXCDFXXMXQZGX-IAGOWNOFSA-N 2 0 282.472 2.804 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccnc1 ZINC000164125355 394369245 /nfs/dbraw/zinc/36/92/45/394369245.db2.gz MNEZPEUEHRBEEZ-DJIMGWMZSA-N 2 0 275.440 2.894 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H]2CCC[C@H]21 ZINC000453383787 394393490 /nfs/dbraw/zinc/39/34/90/394393490.db2.gz MOURHLMRGNLXBG-OWCLPIDISA-N 2 0 294.483 2.780 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000521859074 394381528 /nfs/dbraw/zinc/38/15/28/394381528.db2.gz XNXBZOVEWUNTCY-GJZGRUSLSA-N 2 0 268.351 2.757 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000524751299 394381886 /nfs/dbraw/zinc/38/18/86/394381886.db2.gz PUBXBBOEQDOFEH-QGZVFWFLSA-N 2 0 295.515 2.913 20 0 CFADRP CCn1ccnc1[C@@H](C)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000453113536 394381914 /nfs/dbraw/zinc/38/19/14/394381914.db2.gz FBRLARQUUWEEAH-CQSZACIVSA-N 2 0 278.444 2.676 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CCCC2)[C@H]2CCC[C@H]21 ZINC000453388119 394394692 /nfs/dbraw/zinc/39/46/92/394394692.db2.gz FROFRDJOVUEXQE-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)COC ZINC000527361314 394385586 /nfs/dbraw/zinc/38/55/86/394385586.db2.gz QGQLRCFUUVOBSJ-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000453333897 394386787 /nfs/dbraw/zinc/38/67/87/394386787.db2.gz WYUHVWKAPUCZDA-YCZSJOHXSA-N 2 0 268.445 2.679 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453405396 394398556 /nfs/dbraw/zinc/39/85/56/394398556.db2.gz QMJWMMTYFPMYQE-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527698738 394398637 /nfs/dbraw/zinc/39/86/37/394398637.db2.gz BZXHIOMXTWMMSJ-DQYPLSBCSA-N 2 0 262.441 2.885 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(C)n1 ZINC000453409459 394399299 /nfs/dbraw/zinc/39/92/99/394399299.db2.gz UGVAWUDJMWDSQT-GFCCVEGCSA-N 2 0 276.428 2.618 20 0 CFADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000527782235 394405982 /nfs/dbraw/zinc/40/59/82/394405982.db2.gz CJWLIYSBXPTLMP-SJORKVTESA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000528004588 394438032 /nfs/dbraw/zinc/43/80/32/394438032.db2.gz QZMLHUHOAJLLIO-COMQUAJESA-N 2 0 268.445 2.651 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC12CC2 ZINC000527845205 394415791 /nfs/dbraw/zinc/41/57/91/394415791.db2.gz DAGQXAYVLAFOST-WMLDXEAASA-N 2 0 288.435 2.905 20 0 CFADRP COCCC1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000527934885 394428171 /nfs/dbraw/zinc/42/81/71/394428171.db2.gz LPSREGFNCURNOP-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527946693 394429890 /nfs/dbraw/zinc/42/98/90/394429890.db2.gz IKSTXMJTJRGHSY-JOCBIADPSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530178324 394472224 /nfs/dbraw/zinc/47/22/24/394472224.db2.gz KCRIVQUJVXFVIS-BPQIPLTHSA-N 2 0 299.462 2.696 20 0 CFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])OC)c1 ZINC000530207070 394479802 /nfs/dbraw/zinc/47/98/02/394479802.db2.gz CVZVSRRXEOWDFF-BBWFWOEESA-N 2 0 292.423 2.632 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCC ZINC000530206618 394479939 /nfs/dbraw/zinc/47/99/39/394479939.db2.gz AXAHPPCFEAJSQF-KLHDSHLOSA-N 2 0 268.445 2.702 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)OCC ZINC000530208626 394480865 /nfs/dbraw/zinc/48/08/65/394480865.db2.gz GEEVKBJAWJNZKS-WQVCFCJDSA-N 2 0 262.397 2.926 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530208535 394481045 /nfs/dbraw/zinc/48/10/45/394481045.db2.gz HOUYPCZUMAOUNU-LTIDMASMSA-N 2 0 294.483 2.950 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000530220908 394487181 /nfs/dbraw/zinc/48/71/81/394487181.db2.gz KBTZTFJRAZSUOF-STQMWFEESA-N 2 0 279.815 2.557 20 0 CFADRP Clc1cccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000530220887 394487514 /nfs/dbraw/zinc/48/75/14/394487514.db2.gz KAJXLANQVSMGJG-AWEZNQCLSA-N 2 0 279.815 2.699 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000530225070 394490140 /nfs/dbraw/zinc/49/01/40/394490140.db2.gz WMGKNWNOULEXMH-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CC1CC(C)(C)C1)CC[NH2+]CC2 ZINC000530225721 394491212 /nfs/dbraw/zinc/49/12/12/394491212.db2.gz PAMDJXKCUDSGNC-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC[NH2+]C1 ZINC000530242311 394494293 /nfs/dbraw/zinc/49/42/93/394494293.db2.gz BUCHSJDVPMKUMA-GJZGRUSLSA-N 2 0 264.800 2.917 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238087 394494444 /nfs/dbraw/zinc/49/44/44/394494444.db2.gz JLNFWUALRIDQDP-SFHVURJKSA-N 2 0 288.435 2.586 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)C2CC2)cn1 ZINC000528042114 394441728 /nfs/dbraw/zinc/44/17/28/394441728.db2.gz DAOJYQGYYGSVBG-ISTRZQFTSA-N 2 0 289.423 2.614 20 0 CFADRP Cc1nccn1CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000536573639 394560900 /nfs/dbraw/zinc/56/09/00/394560900.db2.gz TXWXLTJVXSOXCB-KRWDZBQOSA-N 2 0 285.391 2.573 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000537939732 394595098 /nfs/dbraw/zinc/59/50/98/394595098.db2.gz BYDRDIQTWHISQA-OGDRVSEWSA-N 2 0 276.468 2.989 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2[nH]cnc2c1 ZINC000536678017 394568122 /nfs/dbraw/zinc/56/81/22/394568122.db2.gz YGJNISFHEJPKSC-OAHLLOKOSA-N 2 0 286.423 2.869 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000537944678 394594844 /nfs/dbraw/zinc/59/48/44/394594844.db2.gz JZCDLUVRHUAQCD-CVEARBPZSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@H](Cc1ccsc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000541201137 394667021 /nfs/dbraw/zinc/66/70/21/394667021.db2.gz UJOOUWFJMAYXGH-CYBMUJFWSA-N 2 0 266.454 2.953 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000540744227 394652318 /nfs/dbraw/zinc/65/23/18/394652318.db2.gz CTXKDFSGBBVYKU-WMLDXEAASA-N 2 0 275.440 2.809 20 0 CFADRP O=C1CC[C@H]([NH2+]CCCCn2ccnc2)c2ccccc2N1 ZINC000541548793 394675462 /nfs/dbraw/zinc/67/54/62/394675462.db2.gz MVEQPJGITJXTJG-HNNXBMFYSA-N 2 0 298.390 2.727 20 0 CFADRP COC(=O)CCCN1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC000546623075 394833797 /nfs/dbraw/zinc/83/37/97/394833797.db2.gz SYUYXYMSMDFZDF-UHFFFAOYSA-N 2 0 298.471 2.820 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnn1-c1ccccc1 ZINC000281532535 542954543 /nfs/dbraw/zinc/95/45/43/542954543.db2.gz IETRXCCPMJBNIC-OAHLLOKOSA-N 2 0 296.418 2.785 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166191988 542961906 /nfs/dbraw/zinc/96/19/06/542961906.db2.gz LAYZLALLAJFMTM-RCCFBDPRSA-N 2 0 293.499 2.713 20 0 CFADRP C[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166628388 542965870 /nfs/dbraw/zinc/96/58/70/542965870.db2.gz KYQLLPRPEJBNKF-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP c1cc2cnccc2c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000061125342 542965936 /nfs/dbraw/zinc/96/59/36/542965936.db2.gz CXIGMVQEVBWORZ-AWEZNQCLSA-N 2 0 281.403 2.809 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cscn1 ZINC000556077547 394989300 /nfs/dbraw/zinc/98/93/00/394989300.db2.gz CTJFRDLQIUTLNN-LLVKDONJSA-N 2 0 265.426 2.668 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000556149607 394992241 /nfs/dbraw/zinc/99/22/41/394992241.db2.gz KOZGMFDKUNYJHA-CYBMUJFWSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000556253650 394997122 /nfs/dbraw/zinc/99/71/22/394997122.db2.gz OGZLNWUQBWPYBI-AWEZNQCLSA-N 2 0 286.423 2.717 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cscn1 ZINC000556433704 395001820 /nfs/dbraw/zinc/00/18/20/395001820.db2.gz PMVWFDPUJNPJNB-LLVKDONJSA-N 2 0 253.415 2.668 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166715835 542967438 /nfs/dbraw/zinc/96/74/38/542967438.db2.gz DYRBMTOKRWOZDK-IXDOHACOSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[C@H](C)O1 ZINC000558698472 395072404 /nfs/dbraw/zinc/07/24/04/395072404.db2.gz ALELRHJIDHNOMP-DMRKSPOLSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nc1 ZINC000558724313 395074095 /nfs/dbraw/zinc/07/40/95/395074095.db2.gz CFDSZGXKZVRQKM-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000570624353 395085437 /nfs/dbraw/zinc/08/54/37/395085437.db2.gz BSSFFZKWGBWZAQ-QWRGUYRKSA-N 2 0 272.339 2.546 20 0 CFADRP c1cc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000571009508 395086598 /nfs/dbraw/zinc/08/65/98/395086598.db2.gz VNQNCYLRRCJXAS-KRWDZBQOSA-N 2 0 273.424 2.747 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000648403807 395128005 /nfs/dbraw/zinc/12/80/05/395128005.db2.gz DCKWULLCCFDAFX-MRXNPFEDSA-N 2 0 260.381 2.529 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000648436440 395141683 /nfs/dbraw/zinc/14/16/83/395141683.db2.gz VBKWQTZPCFQWFS-GDBMZVCRSA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000648448160 395147073 /nfs/dbraw/zinc/14/70/73/395147073.db2.gz MRXQERHGUVNDIA-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC000648515742 395181429 /nfs/dbraw/zinc/18/14/29/395181429.db2.gz XWYRMIIXQXPSEE-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000180548681 543014701 /nfs/dbraw/zinc/01/47/01/543014701.db2.gz BWXURAUFXSJNPA-NSHDSACASA-N 2 0 290.386 2.770 20 0 CFADRP c1cc(C[NH+]2CCCC2)cc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000647151728 395182643 /nfs/dbraw/zinc/18/26/43/395182643.db2.gz NOBQWIDHXFMLSO-HNNXBMFYSA-N 2 0 298.390 2.757 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000647170346 395196149 /nfs/dbraw/zinc/19/61/49/395196149.db2.gz WZYRLXJOCYKSQI-RHSMWYFYSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171167 395198074 /nfs/dbraw/zinc/19/80/74/395198074.db2.gz BPXALOKZNKUUEJ-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000647337457 395300654 /nfs/dbraw/zinc/30/06/54/395300654.db2.gz PJYDNYZZPGXLAB-DZGCQCFKSA-N 2 0 270.461 2.636 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000647343538 395306401 /nfs/dbraw/zinc/30/64/01/395306401.db2.gz VOFBLAJZONOHBV-LEOABGAYSA-N 2 0 280.456 2.795 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343920 395306445 /nfs/dbraw/zinc/30/64/45/395306445.db2.gz FXAWRQLNXQUGDQ-QBIMZIAESA-N 2 0 298.434 2.714 20 0 CFADRP FC1CCC(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000647349459 395309100 /nfs/dbraw/zinc/30/91/00/395309100.db2.gz QEAHZDWVYCYEHH-UHFFFAOYSA-N 2 0 268.420 2.979 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482682 395354788 /nfs/dbraw/zinc/35/47/88/395354788.db2.gz XYRJUMOMTANKCO-AWEZNQCLSA-N 2 0 286.419 2.769 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482915 395354961 /nfs/dbraw/zinc/35/49/61/395354961.db2.gz JIKZQYLMRYXYIX-UHFFFAOYSA-N 2 0 297.402 2.657 20 0 CFADRP CCCN(Cc1ccc2cnccc2c1)[C@H]1CC[NH2+]C1 ZINC000647492201 395358418 /nfs/dbraw/zinc/35/84/18/395358418.db2.gz OHUTUYCAWNTUSJ-KRWDZBQOSA-N 2 0 269.392 2.809 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000647496502 395358460 /nfs/dbraw/zinc/35/84/60/395358460.db2.gz ODRLSXURZHHJDO-ZJUUUORDSA-N 2 0 258.818 2.961 20 0 CFADRP c1ccc(CN(CC[C@H]2CCOC2)[C@H]2CCC[NH2+]C2)cc1 ZINC000647493796 395358479 /nfs/dbraw/zinc/35/84/79/395358479.db2.gz QMEQOOMTQNJEAE-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1[NH3+] ZINC000647497514 395360303 /nfs/dbraw/zinc/36/03/03/395360303.db2.gz JPOQMRHVEHGNRK-GOEBONIOSA-N 2 0 288.435 2.959 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(C)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497571 395360749 /nfs/dbraw/zinc/36/07/49/395360749.db2.gz MLHKZPWUJMEUFL-CABCVRRESA-N 2 0 262.397 2.563 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H](C)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647497600 395360966 /nfs/dbraw/zinc/36/09/66/395360966.db2.gz NMCFJMKCKQZBFM-ZENOOKHLSA-N 2 0 264.388 2.988 20 0 CFADRP CCCCOc1ccc(C[N@H+](C)CCC[NH3+])cc1OC ZINC000647497743 395361682 /nfs/dbraw/zinc/36/16/82/395361682.db2.gz SYTCXTQUBUAUKH-UHFFFAOYSA-N 2 0 280.412 2.655 20 0 CFADRP CC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647498819 395364488 /nfs/dbraw/zinc/36/44/88/395364488.db2.gz RIAVXBXJURVNBZ-YMBFEGSUSA-N 2 0 262.372 2.898 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000647516315 395371068 /nfs/dbraw/zinc/37/10/68/395371068.db2.gz FUKKPPLJMUPNKC-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH+]2CCC(C)([NH3+])CC2)cc1F ZINC000647530972 395374924 /nfs/dbraw/zinc/37/49/24/395374924.db2.gz SEVJZFIJGRCQHA-CYBMUJFWSA-N 2 0 294.414 2.826 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000647531057 395375876 /nfs/dbraw/zinc/37/58/76/395375876.db2.gz ZQBNUUDBESRMRT-UHFFFAOYSA-N 2 0 255.365 2.548 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647541540 395383047 /nfs/dbraw/zinc/38/30/47/395383047.db2.gz ZPWZVXWIBKRGSZ-CRAIPNDOSA-N 2 0 286.419 2.628 20 0 CFADRP c1cc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000647541497 395383381 /nfs/dbraw/zinc/38/33/81/395383381.db2.gz LJUVBQVOMWXFAK-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000647541296 395383409 /nfs/dbraw/zinc/38/34/09/395383409.db2.gz XZQYCBVFAWPDAP-KRWDZBQOSA-N 2 0 269.392 2.938 20 0 CFADRP Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542961 395384235 /nfs/dbraw/zinc/38/42/35/395384235.db2.gz FIFCTXNWBNAKSK-CVEARBPZSA-N 2 0 274.408 2.604 20 0 CFADRP c1nc2ccccn2c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544050 395385731 /nfs/dbraw/zinc/38/57/31/395385731.db2.gz VWUVKMBNRNGODB-HOTGVXAUSA-N 2 0 298.434 2.546 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544024 395385861 /nfs/dbraw/zinc/38/58/61/395385861.db2.gz VPFUZBLIITVVEP-WBVHZDCISA-N 2 0 273.424 2.602 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)NCC2 ZINC000647543839 395386077 /nfs/dbraw/zinc/38/60/77/395386077.db2.gz STQKVKHSQMRSBP-IRXDYDNUSA-N 2 0 299.462 2.866 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1F ZINC000647545799 395386316 /nfs/dbraw/zinc/38/63/16/395386316.db2.gz WDOONYXXFQBGLR-KBPBESRZSA-N 2 0 292.398 2.656 20 0 CFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549243 395387949 /nfs/dbraw/zinc/38/79/49/395387949.db2.gz OZDCJDQLFCIPIN-OWCLPIDISA-N 2 0 284.403 2.953 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549244 395388354 /nfs/dbraw/zinc/38/83/54/395388354.db2.gz PAGAEHDNBVDLQO-LUKYLMHMSA-N 2 0 288.435 2.740 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549385 395388516 /nfs/dbraw/zinc/38/85/16/395388516.db2.gz XHVFHNQJJGYKCI-XDQVBPFNSA-N 2 0 292.398 2.873 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000647552593 395390353 /nfs/dbraw/zinc/39/03/53/395390353.db2.gz JNZOVUFLVDZPQD-ZJUUUORDSA-N 2 0 253.415 2.626 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[C@@H]1C1CCCCC1 ZINC000647551108 395390808 /nfs/dbraw/zinc/39/08/08/395390808.db2.gz YCIMQLAZYVWUNR-KSWRQPAISA-N 2 0 262.441 2.933 20 0 CFADRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647872189 395448509 /nfs/dbraw/zinc/44/85/09/395448509.db2.gz CZKSAFZMTCDUFG-GFCCVEGCSA-N 2 0 272.314 2.747 20 0 CFADRP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647874928 395449203 /nfs/dbraw/zinc/44/92/03/395449203.db2.gz KGUFRBJRRKUPSV-LBPRGKRZSA-N 2 0 288.313 2.627 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1cccc(O)c1 ZINC000647875486 395449390 /nfs/dbraw/zinc/44/93/90/395449390.db2.gz DQCZGNDLEVVAER-UHFFFAOYSA-N 2 0 262.397 2.604 20 0 CFADRP Cc1ccc(C[C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647883456 395451524 /nfs/dbraw/zinc/45/15/24/395451524.db2.gz SDQLEKBXYCKFAA-QZTJIDSGSA-N 2 0 272.436 2.859 20 0 CFADRP CC1(C)C[N@H+](CCCC2CC[NH2+]CC2)C(C)(C)CO1 ZINC000647885880 395452242 /nfs/dbraw/zinc/45/22/42/395452242.db2.gz CYUUNFWQLYCPQJ-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1ccc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000647884442 395452329 /nfs/dbraw/zinc/45/23/29/395452329.db2.gz QIBCCEZUTMVMAT-LBPRGKRZSA-N 2 0 280.362 2.754 20 0 CFADRP Clc1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647884977 395452483 /nfs/dbraw/zinc/45/24/83/395452483.db2.gz SBEHJHBGWPHCEU-GXTWGEPZSA-N 2 0 264.800 2.739 20 0 CFADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000647988379 395473655 /nfs/dbraw/zinc/47/36/55/395473655.db2.gz BPMCYRJCVZZEMP-HUUCEWRRSA-N 2 0 298.434 2.660 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000647888039 395453041 /nfs/dbraw/zinc/45/30/41/395453041.db2.gz DQXRAVOTLKKCJN-QGZVFWFLSA-N 2 0 280.456 2.659 20 0 CFADRP Fc1ccccc1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647886690 395453047 /nfs/dbraw/zinc/45/30/47/395453047.db2.gz KILILTKTLWBOTB-CYBMUJFWSA-N 2 0 262.372 2.615 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000647891552 395454857 /nfs/dbraw/zinc/45/48/57/395454857.db2.gz PSDVLESCPBTHQD-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cccc(C2([NH2+]C[C@@H]3CC[NH2+]C3)CCCC2)c1 ZINC000647892291 395454884 /nfs/dbraw/zinc/45/48/84/395454884.db2.gz OHINXLBOTZSLSF-OAHLLOKOSA-N 2 0 258.409 2.963 20 0 CFADRP CSc1ccc(OCC[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647924785 395459417 /nfs/dbraw/zinc/45/94/17/395459417.db2.gz JZXJRWIXAQYUEO-UHFFFAOYSA-N 2 0 280.437 2.601 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647936568 395461398 /nfs/dbraw/zinc/46/13/98/395461398.db2.gz HHKRHCUBLTUHOF-DOTOQJQBSA-N 2 0 276.424 2.687 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647992275 395474315 /nfs/dbraw/zinc/47/43/15/395474315.db2.gz ZNITWCSISOLLGZ-DLBZAZTESA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000647991685 395474372 /nfs/dbraw/zinc/47/43/72/395474372.db2.gz YGDSNTOWKODOIN-MNOVXSKESA-N 2 0 264.335 2.506 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000647971944 395471005 /nfs/dbraw/zinc/47/10/05/395471005.db2.gz CROLMVYLJOGZBC-BBWFWOEESA-N 2 0 284.488 2.882 20 0 CFADRP CCc1ccc2[nH+]ccc(N[C@H](C)C[C@H](C)[NH3+])c2c1 ZINC000647711401 395418166 /nfs/dbraw/zinc/41/81/66/395418166.db2.gz LPXQUKZLZKWABY-NWDGAFQWSA-N 2 0 257.381 2.757 20 0 CFADRP c1ccc2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000647784173 395426877 /nfs/dbraw/zinc/42/68/77/395426877.db2.gz LDKWIKDUAZTFSJ-BZUAXINKSA-N 2 0 281.403 2.713 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786231 395427896 /nfs/dbraw/zinc/42/78/96/395427896.db2.gz LHIKQSTYAPRDMP-IJEWVQPXSA-N 2 0 292.398 2.572 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000647786496 395428015 /nfs/dbraw/zinc/42/80/15/395428015.db2.gz QTIXQMFJAQZMII-JJAZEVLHSA-N 2 0 276.399 2.907 20 0 CFADRP c1ccc2nc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000647784175 395428049 /nfs/dbraw/zinc/42/80/49/395428049.db2.gz LDKWIKDUAZTFSJ-OWCLPIDISA-N 2 0 281.403 2.713 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791432 395429661 /nfs/dbraw/zinc/42/96/61/395429661.db2.gz CWMYQDZYCOAVMD-PQEBFOHHSA-N 2 0 288.435 2.604 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647789642 395429787 /nfs/dbraw/zinc/42/97/87/395429787.db2.gz IKOWHMFAHPYQLL-RRFJBIMHSA-N 2 0 293.480 2.752 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647792142 395430624 /nfs/dbraw/zinc/43/06/24/395430624.db2.gz UNFHEJUJKIBFIW-ANQUJSFKSA-N 2 0 286.419 2.715 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647791872 395430652 /nfs/dbraw/zinc/43/06/52/395430652.db2.gz OYQXYQHMHZJQMT-IIAWOOMASA-N 2 0 286.419 2.662 20 0 CFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000647793850 395431099 /nfs/dbraw/zinc/43/10/99/395431099.db2.gz JTGARYXPFZEELZ-UDTPNQRGSA-N 2 0 284.447 2.769 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000647794669 395431214 /nfs/dbraw/zinc/43/12/14/395431214.db2.gz AKDFSZRVRPRVIU-GVDBMIGSSA-N 2 0 294.483 2.951 20 0 CFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000647793849 395431407 /nfs/dbraw/zinc/43/14/07/395431407.db2.gz JTGARYXPFZEELZ-KLIQENQMSA-N 2 0 284.447 2.769 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793960 395431539 /nfs/dbraw/zinc/43/15/39/395431539.db2.gz MZQZVCDXJKRVDZ-RZFLTCLSSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795174 395431907 /nfs/dbraw/zinc/43/19/07/395431907.db2.gz JFCKPPXEIFAQEN-LJIGWXMPSA-N 2 0 286.419 2.796 20 0 CFADRP F[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000647799535 395433416 /nfs/dbraw/zinc/43/34/16/395433416.db2.gz JNQVXNVADPGUEQ-CHWSQXEVSA-N 2 0 281.375 2.512 20 0 CFADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000647799766 395433621 /nfs/dbraw/zinc/43/36/21/395433621.db2.gz QFTSMMYYSQMVBX-GZBLMMOJSA-N 2 0 254.393 2.777 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000647799905 395433867 /nfs/dbraw/zinc/43/38/67/395433867.db2.gz TUEGUGLWQBDMBT-CUSZFKRNSA-N 2 0 299.462 2.935 20 0 CFADRP C[N@H+](CCC[NH3+])CCCOc1cccc(C(F)(F)F)c1 ZINC000647848560 395445211 /nfs/dbraw/zinc/44/52/11/395445211.db2.gz UDUVBVVORPORLS-UHFFFAOYSA-N 2 0 290.329 2.755 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000649508942 395513884 /nfs/dbraw/zinc/51/38/84/395513884.db2.gz JTDCHKHPEJRCHB-ZWKOTPCHSA-N 2 0 293.499 2.669 20 0 CFADRP CC[NH+](CC)CCN(Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000649411053 395488526 /nfs/dbraw/zinc/48/85/26/395488526.db2.gz JVGHOJQPFKXDAM-HNNXBMFYSA-N 2 0 295.496 2.501 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000649413855 395489190 /nfs/dbraw/zinc/48/91/90/395489190.db2.gz NEUITJCJFJFGBB-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000649414166 395489841 /nfs/dbraw/zinc/48/98/41/395489841.db2.gz KGJIYJIWDKDUEK-NVXWUHKLSA-N 2 0 287.451 2.717 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072228 395497109 /nfs/dbraw/zinc/49/71/09/395497109.db2.gz RXRLRPSIEWCFCD-DLBZAZTESA-N 2 0 292.467 2.775 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037209661 543027740 /nfs/dbraw/zinc/02/77/40/543027740.db2.gz SBQBBWZPXAFSQT-JKSUJKDBSA-N 3 0 283.504 2.817 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000037240455 543028468 /nfs/dbraw/zinc/02/84/68/543028468.db2.gz IBSFPQBDEZHGAE-MRXNPFEDSA-N 2 0 289.467 2.672 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000355919557 155132665 /nfs/dbraw/zinc/13/26/65/155132665.db2.gz WYYSMESEXAHEDO-QGZVFWFLSA-N 2 0 295.515 2.911 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000308745871 413079894 /nfs/dbraw/zinc/07/98/94/413079894.db2.gz RDRUMEZUTNMAMY-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185888023 543050464 /nfs/dbraw/zinc/05/04/64/543050464.db2.gz RRPUJOIWLPLSMI-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310006649 413083816 /nfs/dbraw/zinc/08/38/16/413083816.db2.gz ICMOKBQVCUYRPT-BQFCYCMXSA-N 2 0 290.451 2.648 20 0 CFADRP c1ccc2c(c1)C[C@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000315121440 413098333 /nfs/dbraw/zinc/09/83/33/413098333.db2.gz SFWLOWREDQUJIO-INIZCTEOSA-N 2 0 293.414 2.980 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415033876 292099990 /nfs/dbraw/zinc/09/99/90/292099990.db2.gz CFCNBKAAGGECLH-DLBZAZTESA-N 2 0 258.409 2.959 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401061168 413161432 /nfs/dbraw/zinc/16/14/32/413161432.db2.gz XAYYCJAMFUXFGY-BPQIPLTHSA-N 2 0 288.435 2.701 20 0 CFADRP CCc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401148708 413161446 /nfs/dbraw/zinc/16/14/46/413161446.db2.gz OYKCHHVQRCCIFJ-GVDBMIGSSA-N 2 0 258.409 2.727 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401124836 413159771 /nfs/dbraw/zinc/15/97/71/413159771.db2.gz KSRFWVDMTOTDSZ-MRVWCRGKSA-N 2 0 296.361 2.766 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423242895 292110165 /nfs/dbraw/zinc/11/01/65/292110165.db2.gz WAXIBMVSVHQWOP-SJORKVTESA-N 2 0 258.409 2.658 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917798 397551018 /nfs/dbraw/zinc/55/10/18/397551018.db2.gz MIGHMMUKCZUJMI-RDJZCZTQSA-N 2 0 274.408 2.529 20 0 CFADRP CC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309963405 397645887 /nfs/dbraw/zinc/64/58/87/397645887.db2.gz JOLCFJRUEBBTMK-MSOLQXFVSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1(C)CC1 ZINC000162871942 397605166 /nfs/dbraw/zinc/60/51/66/397605166.db2.gz MBMKIAQCCUMGKW-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347136078 397657291 /nfs/dbraw/zinc/65/72/91/397657291.db2.gz TXOSQLDKZSKMTE-OAHLLOKOSA-N 2 0 298.434 2.776 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352850109 397658687 /nfs/dbraw/zinc/65/86/87/397658687.db2.gz RSVPMFLSUPTPHK-VYDXJSESSA-N 2 0 281.488 2.569 20 0 CFADRP COC1(C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)CCC1 ZINC000421370076 292125077 /nfs/dbraw/zinc/12/50/77/292125077.db2.gz IQWACJGTYZJZGT-NFOMZHRRSA-N 2 0 268.445 2.797 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000650758831 397885448 /nfs/dbraw/zinc/88/54/48/397885448.db2.gz YKQJTEZEZGLJPJ-ZDUSSCGKSA-N 2 0 298.386 2.986 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650762463 397886893 /nfs/dbraw/zinc/88/68/93/397886893.db2.gz BAZCTJPPFZCCFR-CYBMUJFWSA-N 2 0 289.423 2.685 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762694 397887044 /nfs/dbraw/zinc/88/70/44/397887044.db2.gz HVKGTWWBGVZNQO-GUYCJALGSA-N 2 0 258.409 2.899 20 0 CFADRP C[C@H](COCC1CC1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000650761297 397887101 /nfs/dbraw/zinc/88/71/01/397887101.db2.gz XDGHHZOHDGXVRO-FMKPAKJESA-N 2 0 268.445 2.702 20 0 CFADRP Fc1cncc([C@@H]([NH2+]CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000650762062 397887130 /nfs/dbraw/zinc/88/71/30/397887130.db2.gz RPRMNTYQIJLCAA-INIZCTEOSA-N 2 0 277.387 2.651 20 0 CFADRP c1cc2c(c(C[NH+]3CCC4(CC[NH2+]C4)CC3)c1)CCC2 ZINC000650703568 397859567 /nfs/dbraw/zinc/85/95/67/397859567.db2.gz GVJOMYUEYHOWIO-UHFFFAOYSA-N 2 0 270.420 2.751 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000650703681 397859925 /nfs/dbraw/zinc/85/99/25/397859925.db2.gz LLRNJQAGLARQJA-AWEZNQCLSA-N 2 0 292.398 2.656 20 0 CFADRP c1cc2c(c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)c1)CCC2 ZINC000650703566 397859982 /nfs/dbraw/zinc/85/99/82/397859982.db2.gz GQVNSWIGUVBKBN-QGZVFWFLSA-N 2 0 284.447 2.997 20 0 CFADRP c1cc2c(c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c1)CCC2 ZINC000650703834 397859992 /nfs/dbraw/zinc/85/99/92/397859992.db2.gz UOZIFKGHAUBJRG-INIZCTEOSA-N 2 0 258.409 2.797 20 0 CFADRP c1cc2c(c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)CCC2 ZINC000650703742 397860049 /nfs/dbraw/zinc/86/00/49/397860049.db2.gz PVDBUWUYMAWFRZ-IYBDPMFKSA-N 2 0 270.420 2.607 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CCC2)[C@H]1CCC[NH2+]C1 ZINC000650703649 397860065 /nfs/dbraw/zinc/86/00/65/397860065.db2.gz KGCGTLOPGFEHTR-HIFRSBDPSA-N 2 0 258.409 2.653 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706779 397860947 /nfs/dbraw/zinc/86/09/47/397860947.db2.gz SBJLGOZBJBTBSK-ZNMIVQPWSA-N 2 0 294.464 2.775 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763273 397887790 /nfs/dbraw/zinc/88/77/90/397887790.db2.gz WJGMZZJVSZKQKO-PBHICJAKSA-N 2 0 276.424 2.742 20 0 CFADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707879 397861536 /nfs/dbraw/zinc/86/15/36/397861536.db2.gz OSGNZUILGKBZRH-JYJNAYRXSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC[NH2+]C1 ZINC000650708819 397861544 /nfs/dbraw/zinc/86/15/44/397861544.db2.gz OJONOOBYVNHQOW-IAGOWNOFSA-N 2 0 276.399 2.789 20 0 CFADRP FC(F)C1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650763412 397887823 /nfs/dbraw/zinc/88/78/23/397887823.db2.gz ZPJQMKYUBSWCLP-UHFFFAOYSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709668 397862680 /nfs/dbraw/zinc/86/26/80/397862680.db2.gz LECQDBJHBXICHP-SZMVWBNQSA-N 2 0 272.436 2.926 20 0 CFADRP CC[C@H](OCC[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000650710677 397863270 /nfs/dbraw/zinc/86/32/70/397863270.db2.gz WRNUVTVAFQFVBW-IRXDYDNUSA-N 2 0 276.424 2.886 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2c1 ZINC000650711198 397863780 /nfs/dbraw/zinc/86/37/80/397863780.db2.gz LFEWJQVGWDRFAC-ZBFHGGJFSA-N 2 0 286.423 2.592 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)[C@@H]1CC[NH3+] ZINC000650711606 397864169 /nfs/dbraw/zinc/86/41/69/397864169.db2.gz YQDBIRUKHFZNRS-BXUZGUMPSA-N 2 0 279.453 2.970 20 0 CFADRP CCCOc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712569 397864501 /nfs/dbraw/zinc/86/45/01/397864501.db2.gz KSKMECAAGHJADO-UHFFFAOYSA-N 2 0 262.397 2.694 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713307 397864588 /nfs/dbraw/zinc/86/45/88/397864588.db2.gz NOOUFICFJDYBRD-WBVHZDCISA-N 2 0 293.499 2.748 20 0 CFADRP [NH3+]CC1(CC[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000650713302 397864750 /nfs/dbraw/zinc/86/47/50/397864750.db2.gz NNPBEWXCDPGUGU-OWOJBTEDSA-N 2 0 266.335 2.697 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000650712603 397864844 /nfs/dbraw/zinc/86/48/44/397864844.db2.gz LSEUKRXQEZZAEU-UHFFFAOYSA-N 2 0 270.323 2.507 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CN2 ZINC000650715101 397865832 /nfs/dbraw/zinc/86/58/32/397865832.db2.gz PGBWACIQBJSNGD-BURFUSLBSA-N 2 0 285.435 2.534 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000650717927 397867695 /nfs/dbraw/zinc/86/76/95/397867695.db2.gz QWVBFFMBGPBUIA-HOCLYGCPSA-N 2 0 280.387 2.578 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000650719271 397868250 /nfs/dbraw/zinc/86/82/50/397868250.db2.gz JXGFQHMCWVLRLG-CQSZACIVSA-N 2 0 299.418 2.530 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650720788 397869187 /nfs/dbraw/zinc/86/91/87/397869187.db2.gz ALADZQQNSZWZFF-HZPDHXFCSA-N 2 0 275.440 2.766 20 0 CFADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723729 397871102 /nfs/dbraw/zinc/87/11/02/397871102.db2.gz SLDQCACHPBAQER-ARFHVFGLSA-N 2 0 268.445 2.783 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724222 397871133 /nfs/dbraw/zinc/87/11/33/397871133.db2.gz AGWRRMAMHNAMTF-DYVFJYSZSA-N 2 0 276.399 2.787 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650742259 397876551 /nfs/dbraw/zinc/87/65/51/397876551.db2.gz UOUPTVRZHIVBNZ-RDJZCZTQSA-N 2 0 281.488 2.748 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000650742379 397876772 /nfs/dbraw/zinc/87/67/72/397876772.db2.gz WQMPNEXIEJMAMS-QSPRXWTASA-N 2 0 258.409 2.958 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000650743695 397877347 /nfs/dbraw/zinc/87/73/47/397877347.db2.gz ZABIEQZIZIGUHI-CYBMUJFWSA-N 2 0 262.422 2.942 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744282 397878359 /nfs/dbraw/zinc/87/83/59/397878359.db2.gz KFOFEQRQAFXWOA-ZDUSSCGKSA-N 2 0 262.397 2.783 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1N(C)C ZINC000650745450 397878856 /nfs/dbraw/zinc/87/88/56/397878856.db2.gz HCTLSZHNBQNENX-ZDUSSCGKSA-N 2 0 261.413 2.532 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)ccc1F ZINC000650744924 397879054 /nfs/dbraw/zinc/87/90/54/397879054.db2.gz YCRPNIAUQXUUCW-SNVBAGLBSA-N 2 0 254.324 2.744 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650747017 397879321 /nfs/dbraw/zinc/87/93/21/397879321.db2.gz PJBBTVHFYLGQGV-CYBMUJFWSA-N 2 0 278.371 2.540 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000650746665 397879409 /nfs/dbraw/zinc/87/94/09/397879409.db2.gz IAWYVLSAFBSFMK-AWEZNQCLSA-N 2 0 278.371 2.758 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000650746632 397879659 /nfs/dbraw/zinc/87/96/59/397879659.db2.gz HDYLUUVOCVQDJM-HNNXBMFYSA-N 2 0 259.397 2.652 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CNc3ccccc3C2)c2ccccc21 ZINC000650747495 397880485 /nfs/dbraw/zinc/88/04/85/397880485.db2.gz BDJCRWDLWPJRDO-XCRHUMRWSA-N 2 0 279.387 2.758 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCc2ccc(F)cc21 ZINC000650513780 397817454 /nfs/dbraw/zinc/81/74/54/397817454.db2.gz IMFRTNCFQWOART-ZDUSSCGKSA-N 2 0 276.399 2.787 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000402781958 413175109 /nfs/dbraw/zinc/17/51/09/413175109.db2.gz AFUKSNUTRJJJTB-XIRDDKMYSA-N 2 0 258.409 2.851 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1C[C@@H]1C ZINC000650756250 397884489 /nfs/dbraw/zinc/88/44/89/397884489.db2.gz XLDYQXPPYKUIND-ZBINZKHDSA-N 2 0 250.361 2.809 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000429412388 292126561 /nfs/dbraw/zinc/12/65/61/292126561.db2.gz MNRMTCWYICRXSC-ZNMIVQPWSA-N 2 0 268.445 2.797 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000429517749 292127222 /nfs/dbraw/zinc/12/72/22/292127222.db2.gz HBJQVGDJWCXTEM-KKUMJFAQSA-N 2 0 266.429 2.551 20 0 CFADRP c1cc2c(cc[nH+]c2N2CCC(C[NH+]3CCCC3)CC2)[nH]1 ZINC000663397143 413184121 /nfs/dbraw/zinc/18/41/21/413184121.db2.gz NIJARBIQPDWPOS-UHFFFAOYSA-N 2 0 284.407 2.875 20 0 CFADRP COC1([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000421848930 292146343 /nfs/dbraw/zinc/14/63/43/292146343.db2.gz BDEZJQULPVLTEA-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404295572 413198023 /nfs/dbraw/zinc/19/80/23/413198023.db2.gz NKZBKLXEYXPKDL-SWLSCSKDSA-N 2 0 250.361 2.775 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423084581 292153743 /nfs/dbraw/zinc/15/37/43/292153743.db2.gz IKBLDFCZYZQVJV-YHNBSYBMSA-N 2 0 268.445 2.559 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000425432785 286011863 /nfs/dbraw/zinc/01/18/63/286011863.db2.gz LQZZDDYWAJTIDQ-YSVLISHTSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000246417217 286013651 /nfs/dbraw/zinc/01/36/51/286013651.db2.gz MXJGQANHCWFMJH-BQGCOEIASA-N 2 0 294.414 2.832 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423553146 286024725 /nfs/dbraw/zinc/02/47/25/286024725.db2.gz VPVTYVNPVHCSMP-FUJDEKNSSA-N 2 0 288.435 2.740 20 0 CFADRP FCC1(CF)CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466326 413222323 /nfs/dbraw/zinc/22/23/23/413222323.db2.gz QZZVPLTYXVPKBW-AWEZNQCLSA-N 2 0 286.410 2.786 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465787 413222908 /nfs/dbraw/zinc/22/29/08/413222908.db2.gz LMLKVJKVSVSXNW-ARFHVFGLSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466534 413224226 /nfs/dbraw/zinc/22/42/26/413224226.db2.gz VEFJAYARLLIZIW-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786458 413224339 /nfs/dbraw/zinc/22/43/39/413224339.db2.gz SVZITTNIFMMLIF-CQSZACIVSA-N 2 0 264.438 2.960 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@]1(C)CCCO1 ZINC000663466041 413224091 /nfs/dbraw/zinc/22/40/91/413224091.db2.gz NIIXCAZLOWMLEZ-XIRDDKMYSA-N 2 0 280.456 2.656 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466127 413224776 /nfs/dbraw/zinc/22/47/76/413224776.db2.gz OJDIEZXRRZAMLU-SQNIBIBYSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656784180 413224984 /nfs/dbraw/zinc/22/49/84/413224984.db2.gz ZHSPTQHAYBAFGC-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000422883945 286049023 /nfs/dbraw/zinc/04/90/23/286049023.db2.gz DILONZDLCZITJD-LSDHHAIUSA-N 2 0 268.445 2.690 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785961 413226118 /nfs/dbraw/zinc/22/61/18/413226118.db2.gz OKTHMQAPIGLAKA-CQSZACIVSA-N 2 0 264.438 2.960 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786251 413226278 /nfs/dbraw/zinc/22/62/78/413226278.db2.gz QWBHYFCRTHOZCH-MRXNPFEDSA-N 2 0 274.408 2.604 20 0 CFADRP COCC(C)(C)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000494354419 292197099 /nfs/dbraw/zinc/19/70/99/292197099.db2.gz ZJTJNRVIFZDJRR-UHFFFAOYSA-N 2 0 256.434 2.558 20 0 CFADRP COc1ccsc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787331 413228695 /nfs/dbraw/zinc/22/86/95/413228695.db2.gz XOVZHLITTOJYCT-CQSZACIVSA-N 2 0 294.464 2.968 20 0 CFADRP Cc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000656787715 413229006 /nfs/dbraw/zinc/22/90/06/413229006.db2.gz SJTNOWAAUYQNTO-GJZGRUSLSA-N 2 0 258.409 2.741 20 0 CFADRP C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1nccs1 ZINC000663468255 413230525 /nfs/dbraw/zinc/23/05/25/413230525.db2.gz KZTOBSULTGOMNN-JSGCOSHPSA-N 2 0 279.453 2.916 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656791409 413235025 /nfs/dbraw/zinc/23/50/25/413235025.db2.gz FWYPWZJTCMBNBE-PMPSAXMXSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1([NH3+])CCCC1 ZINC000656789558 413236110 /nfs/dbraw/zinc/23/61/10/413236110.db2.gz QCORQZWGCVVHME-JTQLQIEISA-N 2 0 252.324 2.969 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000663498059 413240725 /nfs/dbraw/zinc/24/07/25/413240725.db2.gz JSVGWFSIISVEFP-OAHLLOKOSA-N 2 0 275.371 2.837 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000663497595 413241170 /nfs/dbraw/zinc/24/11/70/413241170.db2.gz COMMDEBOLRODOI-CYBMUJFWSA-N 2 0 267.442 2.874 20 0 CFADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499064 413244189 /nfs/dbraw/zinc/24/41/89/413244189.db2.gz WBKVOJAKWNDRIM-UNXMRWRESA-N 2 0 274.383 2.803 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1(C)C ZINC000353520282 286172130 /nfs/dbraw/zinc/17/21/30/286172130.db2.gz NTDITOSAVZWYPB-SOXILONMSA-N 2 0 280.456 2.652 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@]1(C)CC[NH2+]C1 ZINC000663501811 413245257 /nfs/dbraw/zinc/24/52/57/413245257.db2.gz BBHYNOKXACLHMM-DOTOQJQBSA-N 2 0 258.409 2.648 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247150523 286198858 /nfs/dbraw/zinc/19/88/58/286198858.db2.gz RMPYTMSGPVLXBZ-XUWVNRHRSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335543011 292236282 /nfs/dbraw/zinc/23/62/82/292236282.db2.gz KNAMLYSTPAIZKM-SJORKVTESA-N 2 0 274.408 2.557 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC[NH2+]CC1 ZINC000423409530 292250218 /nfs/dbraw/zinc/25/02/18/292250218.db2.gz QGSIPYSRDICZSZ-GJZGRUSLSA-N 2 0 286.435 2.511 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(C)cc2C)CC[NH2+]CC1 ZINC000423389263 292249131 /nfs/dbraw/zinc/24/91/31/292249131.db2.gz LLTZQARRDOGALV-MRXNPFEDSA-N 2 0 290.451 2.970 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000423375853 286282468 /nfs/dbraw/zinc/28/24/68/286282468.db2.gz YAJDPGCLSATSOD-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000085386527 286282660 /nfs/dbraw/zinc/28/26/60/286282660.db2.gz AOUUSGFAJQUFGD-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000414307617 292265589 /nfs/dbraw/zinc/26/55/89/292265589.db2.gz HIZXAEFFXRPNFG-ZKLCHKPXSA-N 2 0 280.456 2.654 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C12CCC2 ZINC000414714367 286333368 /nfs/dbraw/zinc/33/33/68/286333368.db2.gz VIOVDAXXBUDURC-YHUYYLMFSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000356839607 155389737 /nfs/dbraw/zinc/38/97/37/155389737.db2.gz IZJDEDKRFLSIGZ-JQWIXIFHSA-N 2 0 286.341 2.719 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356856584 155397053 /nfs/dbraw/zinc/39/70/53/155397053.db2.gz WCPRZRBAQVGRGS-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1(CC)CC ZINC000423272598 286388282 /nfs/dbraw/zinc/38/82/82/286388282.db2.gz JWMBVDKQSOAHTH-HZSPNIEDSA-N 2 0 256.434 2.543 20 0 CFADRP CCN1C[C@H]([NH2+]CC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000343157433 154128552 /nfs/dbraw/zinc/12/85/52/154128552.db2.gz IFOGSVOVVPSRQM-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3ccccc32)[C@@H](C)C1 ZINC000343260191 154159169 /nfs/dbraw/zinc/15/91/69/154159169.db2.gz AVDVBVVXIHOUEZ-ZDUSSCGKSA-N 2 0 255.365 2.765 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cnc3ccc(C)cn23)C1(C)C ZINC000345700065 154244182 /nfs/dbraw/zinc/24/41/82/154244182.db2.gz JJECYMUGSVYZCN-DAXOMENPSA-N 2 0 287.407 2.792 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000348100209 154320171 /nfs/dbraw/zinc/32/01/71/154320171.db2.gz CVNWRKHHVDBECH-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCCC1 ZINC000422883412 292307577 /nfs/dbraw/zinc/30/75/77/292307577.db2.gz BYNDUEYMVAQDAZ-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000348275543 154391941 /nfs/dbraw/zinc/39/19/41/154391941.db2.gz CUKKPEMLSHATEA-CQDKDKBSSA-N 2 0 298.377 2.931 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000352716859 154657773 /nfs/dbraw/zinc/65/77/73/154657773.db2.gz HWTWLJSWBPNNIM-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1ccccc1C[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660425191 413305564 /nfs/dbraw/zinc/30/55/64/413305564.db2.gz RCRXFQCJENWLCA-WMZOPIPTSA-N 2 0 292.467 2.559 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC(CC[NH+](C)C)CC2)CCO1 ZINC000357000428 155461350 /nfs/dbraw/zinc/46/13/50/155461350.db2.gz VYRJZONHEYHAJR-SJORKVTESA-N 2 0 282.472 2.855 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C12CCCCC2 ZINC000423332404 286490904 /nfs/dbraw/zinc/49/09/04/286490904.db2.gz DESAUNMAEVZPBS-CVEARBPZSA-N 2 0 278.440 2.624 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423363191 286493570 /nfs/dbraw/zinc/49/35/70/286493570.db2.gz NQJYCYDEHSVNOL-OAGGEKHMSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358300062 155712225 /nfs/dbraw/zinc/71/22/25/155712225.db2.gz NPPYWEYJPHSHCV-QJESEZNXSA-N 2 0 294.483 2.779 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516629 286498072 /nfs/dbraw/zinc/49/80/72/286498072.db2.gz OLPLAYRIVXOZCG-CQSZACIVSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccsc2)O1 ZINC000359186197 156017647 /nfs/dbraw/zinc/01/76/47/156017647.db2.gz HEMQRUXERCLHSF-BBRMVZONSA-N 2 0 294.464 2.900 20 0 CFADRP Oc1ccc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359199441 156021117 /nfs/dbraw/zinc/02/11/17/156021117.db2.gz WXDJKAWNKQNICT-UHFFFAOYSA-N 2 0 288.435 2.961 20 0 CFADRP Fc1ccc2cc(C[NH2+][C@@H]3CCN(C4CC4)C3)[nH]c2c1 ZINC000362916217 156113246 /nfs/dbraw/zinc/11/32/46/156113246.db2.gz FJNWBWHHEISRCM-CYBMUJFWSA-N 2 0 273.355 2.633 20 0 CFADRP CCN1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362917925 156115305 /nfs/dbraw/zinc/11/53/05/156115305.db2.gz LVORONFNTGQXGX-UHFFFAOYSA-N 2 0 275.371 2.881 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OC ZINC000362977696 156134549 /nfs/dbraw/zinc/13/45/49/156134549.db2.gz TUMSJABOZOCVKJ-NPJQDHAYSA-N 2 0 268.445 2.558 20 0 CFADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC000367117283 156283646 /nfs/dbraw/zinc/28/36/46/156283646.db2.gz NFDCODPRGJPJEP-GOSISDBHSA-N 2 0 293.499 2.526 20 0 CFADRP CCOC1CC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000367150668 156287962 /nfs/dbraw/zinc/28/79/62/156287962.db2.gz IHKDRBSCAGAMBV-QZOMQWOVSA-N 2 0 292.467 2.750 20 0 CFADRP FCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367158603 156288922 /nfs/dbraw/zinc/28/89/22/156288922.db2.gz TWYSMPXOXXGGDL-HNNXBMFYSA-N 2 0 256.409 2.934 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367198960 156295563 /nfs/dbraw/zinc/29/55/63/156295563.db2.gz HOVJWGBNUPPUSN-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP CC1(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)COC1 ZINC000367540596 156348276 /nfs/dbraw/zinc/34/82/76/156348276.db2.gz NZQAXBRKYYLUEX-UHFFFAOYSA-N 2 0 294.464 2.586 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367593194 156355592 /nfs/dbraw/zinc/35/55/92/156355592.db2.gz GLPOEVXLQSUORJ-ULQDDVLXSA-N 2 0 274.408 2.528 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367603029 156360057 /nfs/dbraw/zinc/36/00/57/156360057.db2.gz XSOJIPZKRRMVAD-KZNAEPCWSA-N 2 0 288.435 2.700 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367612853 156361658 /nfs/dbraw/zinc/36/16/58/156361658.db2.gz BKXCHIBAKMNEEG-SQNIBIBYSA-N 2 0 287.451 2.951 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3[C@H]4COC[C@H]43)CC2)C1 ZINC000367712568 156379690 /nfs/dbraw/zinc/37/96/90/156379690.db2.gz LHTXXHLVYCOFSR-DEORAPPZSA-N 2 0 292.467 2.512 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](CCC=C(C)C)CC1 ZINC000660454105 413328880 /nfs/dbraw/zinc/32/88/80/413328880.db2.gz VCROFESXUNFWHF-UHFFFAOYSA-N 2 0 275.396 2.569 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3cccnc32)C1 ZINC000657179374 413330201 /nfs/dbraw/zinc/33/02/01/413330201.db2.gz YMFHGRFFMRIFCQ-HOCLYGCPSA-N 2 0 273.424 2.781 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000370633172 156707041 /nfs/dbraw/zinc/70/70/41/156707041.db2.gz GDWUSCQQFMNHTR-DZGCQCFKSA-N 2 0 293.480 2.567 20 0 CFADRP C1CC1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000374499698 157122557 /nfs/dbraw/zinc/12/25/57/157122557.db2.gz DASGODMMTDGTAK-MSOLQXFVSA-N 2 0 292.467 2.941 20 0 CFADRP Cn1cc([C@@H](NCC[C@H]2CCC[N@@H+]2C)c2ccccc2)cn1 ZINC000374598912 157136005 /nfs/dbraw/zinc/13/60/05/157136005.db2.gz ZMWGDFNVFORIOR-MSOLQXFVSA-N 2 0 298.434 2.583 20 0 CFADRP CC(C)OCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374833896 157164002 /nfs/dbraw/zinc/16/40/02/157164002.db2.gz GSTRYSLBBXEDLF-UHFFFAOYSA-N 2 0 291.439 2.655 20 0 CFADRP C[C@H](CCCO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374894287 157169601 /nfs/dbraw/zinc/16/96/01/157169601.db2.gz MZBYBBGDMYOCCQ-RYRKJORJSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H](CCCO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374894283 157170460 /nfs/dbraw/zinc/17/04/60/157170460.db2.gz MZBYBBGDMYOCCQ-JFIYKMOQSA-N 2 0 290.451 2.648 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375515055 157252818 /nfs/dbraw/zinc/25/28/18/157252818.db2.gz ZUAONNVVZJDIJA-UHFFFAOYSA-N 2 0 288.435 2.893 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375852656 157296171 /nfs/dbraw/zinc/29/61/71/157296171.db2.gz OEGNUKCIENBHEC-KFWWJZLASA-N 2 0 270.486 2.838 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000375896612 157302862 /nfs/dbraw/zinc/30/28/62/157302862.db2.gz YLWMAAROODQAIQ-BPUTZDHNSA-N 2 0 280.362 2.927 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000375896615 157303201 /nfs/dbraw/zinc/30/32/01/157303201.db2.gz YLWMAAROODQAIQ-VNQPRFMTSA-N 2 0 280.362 2.927 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000376162638 157328366 /nfs/dbraw/zinc/32/83/66/157328366.db2.gz MZVYBYKNSVFQTP-XIRDDKMYSA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000657231789 413350240 /nfs/dbraw/zinc/35/02/40/413350240.db2.gz MYLNQJCEGIEFQF-VNQPRFMTSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000335523260 292368042 /nfs/dbraw/zinc/36/80/42/292368042.db2.gz YZDKKBIIUFQSEP-GDBMZVCRSA-N 2 0 274.408 2.798 20 0 CFADRP C[NH+]1CCC([C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)C2)CC1 ZINC000663746076 413354413 /nfs/dbraw/zinc/35/44/13/413354413.db2.gz HABTUSIFDJGZAZ-CQSZACIVSA-N 2 0 284.407 2.731 20 0 CFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653549848 413358798 /nfs/dbraw/zinc/35/87/98/413358798.db2.gz IDPHNZFQBGCQKZ-CQSZACIVSA-N 2 0 282.472 2.590 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3noc4ccccc43)CC[C@@H]21 ZINC000653570671 413377743 /nfs/dbraw/zinc/37/77/43/413377743.db2.gz ZJAIXHYEDMEMOM-PBHICJAKSA-N 2 0 299.418 2.786 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3noc4ccccc43)CC[C@H]21 ZINC000653570672 413379479 /nfs/dbraw/zinc/37/94/79/413379479.db2.gz ZJAIXHYEDMEMOM-RHSMWYFYSA-N 2 0 299.418 2.786 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422822024 286712541 /nfs/dbraw/zinc/71/25/41/286712541.db2.gz ZNWSDCYFEMDGJP-IGQOVBAYSA-N 2 0 256.459 2.768 20 0 CFADRP CN(CC[N@H+](C)CCC(C)(C)C1CC1)C1CC[NH+](C)CC1 ZINC000653593251 413389689 /nfs/dbraw/zinc/38/96/89/413389689.db2.gz RASWHBHBWAERJQ-UHFFFAOYSA-N 2 0 295.515 2.771 20 0 CFADRP C[NH+]1CCN(CCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657295902 413413680 /nfs/dbraw/zinc/41/36/80/413413680.db2.gz NGBGISAAQVPBJE-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000422991188 298391982 /nfs/dbraw/zinc/39/19/82/298391982.db2.gz OPKZBOMACUAAKF-OIISXLGYSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423447833 298400059 /nfs/dbraw/zinc/40/00/59/298400059.db2.gz ULPJYVONQMPQJI-RISCZKNCSA-N 2 0 277.412 2.588 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651378728 413435383 /nfs/dbraw/zinc/43/53/83/413435383.db2.gz VMBJWCTYKYGILO-WMZOPIPTSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000343941462 161898635 /nfs/dbraw/zinc/89/86/35/161898635.db2.gz UCFIOSBXXWUFPE-INIZCTEOSA-N 2 0 291.439 2.690 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000344305387 162003576 /nfs/dbraw/zinc/00/35/76/162003576.db2.gz XGSHPDHSBLXBFH-ZDUSSCGKSA-N 2 0 287.407 2.558 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000344633159 162085280 /nfs/dbraw/zinc/08/52/80/162085280.db2.gz RBAUSXBDBMUQBY-RHSMWYFYSA-N 2 0 298.434 2.957 20 0 CFADRP CC1=CCN(CC[NH2+][C@H](C)CCc2ccc(O)cc2)CC1 ZINC000344664542 162091903 /nfs/dbraw/zinc/09/19/03/162091903.db2.gz LQWMSQHLYGRIJY-MRXNPFEDSA-N 2 0 288.435 2.955 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344678528 162097896 /nfs/dbraw/zinc/09/78/96/162097896.db2.gz LRAHMKVLAUFYOC-UVMHCMFPSA-N 2 0 274.408 2.781 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344678526 162098017 /nfs/dbraw/zinc/09/80/17/162098017.db2.gz LRAHMKVLAUFYOC-CSVMTYNTSA-N 2 0 274.408 2.781 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344744130 162113138 /nfs/dbraw/zinc/11/31/38/162113138.db2.gz KHBAHKHSTYBYTJ-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344750917 162114730 /nfs/dbraw/zinc/11/47/30/162114730.db2.gz OMZGEDVUZDQDBJ-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000344975217 162155192 /nfs/dbraw/zinc/15/51/92/162155192.db2.gz PXMWVNVRIJFFAB-LSDHHAIUSA-N 2 0 264.438 2.732 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000344975216 162155199 /nfs/dbraw/zinc/15/51/99/162155199.db2.gz PXMWVNVRIJFFAB-HUUCEWRRSA-N 2 0 264.438 2.732 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000344980972 162158708 /nfs/dbraw/zinc/15/87/08/162158708.db2.gz YKKYLPYSPVXRPV-CVEARBPZSA-N 2 0 294.464 2.611 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000345154236 162189696 /nfs/dbraw/zinc/18/96/96/162189696.db2.gz IAXCTMHDADZXMH-QAETUUGQSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1CCSC1 ZINC000346171985 162339292 /nfs/dbraw/zinc/33/92/92/162339292.db2.gz LMXMQCCHEPXEJL-LLVKDONJSA-N 2 0 279.434 2.871 20 0 CFADRP COC[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346201408 162349491 /nfs/dbraw/zinc/34/94/91/162349491.db2.gz NINSDVWLJSWEDZ-CYBMUJFWSA-N 2 0 291.420 2.792 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000346336864 162387045 /nfs/dbraw/zinc/38/70/45/162387045.db2.gz PVGIPVAQAPZXGR-BFHYXJOUSA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000347069192 162594684 /nfs/dbraw/zinc/59/46/84/162594684.db2.gz OPRDREQXXGZLDD-HNNXBMFYSA-N 2 0 282.472 2.761 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H](C)CC2CCOCC2)CC1 ZINC000347069195 162594817 /nfs/dbraw/zinc/59/48/17/162594817.db2.gz OPRDREQXXGZLDD-OAHLLOKOSA-N 2 0 282.472 2.761 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000347114183 162603504 /nfs/dbraw/zinc/60/35/04/162603504.db2.gz SNKBEVAABRTRFI-BXUZGUMPSA-N 2 0 295.452 2.554 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccsc1 ZINC000349698667 163004060 /nfs/dbraw/zinc/00/40/60/163004060.db2.gz ZMAGLSXLRATTLK-CYBMUJFWSA-N 2 0 270.442 2.757 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000349723898 163008546 /nfs/dbraw/zinc/00/85/46/163008546.db2.gz SFRARVCRRRDZBJ-JWMHWRSXSA-N 2 0 268.445 2.654 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000349722292 163008982 /nfs/dbraw/zinc/00/89/82/163008982.db2.gz NVKCTUZTBZEKJM-GMRIPVOYSA-N 2 0 280.456 2.798 20 0 CFADRP CC1CCC(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000350184109 163065175 /nfs/dbraw/zinc/06/51/75/163065175.db2.gz MADCDJXOOKQBJF-UHFFFAOYSA-N 2 0 294.483 2.857 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000350258311 163068102 /nfs/dbraw/zinc/06/81/02/163068102.db2.gz CKARBXCGEZGILI-UHFFFAOYSA-N 2 0 278.440 2.751 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(F)cc1C ZINC000350272625 163069833 /nfs/dbraw/zinc/06/98/33/163069833.db2.gz YNDKGHCHDYBHPF-UHFFFAOYSA-N 2 0 282.403 2.582 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000351232970 163121920 /nfs/dbraw/zinc/12/19/20/163121920.db2.gz YEJBZMYQBSIGFF-HUUCEWRRSA-N 2 0 270.486 2.934 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502075 163136031 /nfs/dbraw/zinc/13/60/31/163136031.db2.gz ZELBBEFPYDTYMY-YESZJQIVSA-N 2 0 258.409 2.597 20 0 CFADRP CCOC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351609219 163155929 /nfs/dbraw/zinc/15/59/29/163155929.db2.gz QQHQTKAXCKCXLL-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCC1 ZINC000660643141 413455880 /nfs/dbraw/zinc/45/58/80/413455880.db2.gz WRWDKXIGKCOWFY-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000352791137 163235299 /nfs/dbraw/zinc/23/52/99/163235299.db2.gz HEIUGOCZHVRHND-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP Cc1cn[nH]c1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000352794746 163237105 /nfs/dbraw/zinc/23/71/05/163237105.db2.gz HNIRBJPLAPHECK-UHFFFAOYSA-N 2 0 278.444 2.566 20 0 CFADRP CCCC[N@H+](C)CCNc1cc[nH+]c(C)c1Cl ZINC000352831751 163245373 /nfs/dbraw/zinc/24/53/73/163245373.db2.gz ZXJBODCWOVOMPP-UHFFFAOYSA-N 2 0 255.793 2.609 20 0 CFADRP CSC1(C[NH2+][C@H](C)[C@@H]2CC2(C)C)CC[NH+](C)CC1 ZINC000353222824 163319997 /nfs/dbraw/zinc/31/99/97/163319997.db2.gz QZDKPTVWGGCKDD-OLZOCXBDSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cn1 ZINC000353341653 163347888 /nfs/dbraw/zinc/34/78/88/163347888.db2.gz CJMFXJZIRYYPKB-OAHLLOKOSA-N 2 0 265.376 2.602 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000353425991 163363334 /nfs/dbraw/zinc/36/33/34/163363334.db2.gz LCYVDDUQYDQEKR-INIZCTEOSA-N 2 0 296.842 2.959 20 0 CFADRP Cc1sccc1CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC000353490718 163376650 /nfs/dbraw/zinc/37/66/50/163376650.db2.gz GZRDZHQTZLQPEE-UHFFFAOYSA-N 2 0 297.512 2.762 20 0 CFADRP Cc1ccc2nc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2c1 ZINC000353512544 163381886 /nfs/dbraw/zinc/38/18/86/163381886.db2.gz DOKCGMVRILMHNP-BBWFWOEESA-N 2 0 298.434 2.605 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CO1 ZINC000657332129 413457943 /nfs/dbraw/zinc/45/79/43/413457943.db2.gz XEBOGUZPDVREID-STQMWFEESA-N 2 0 273.380 2.653 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000353683982 163426217 /nfs/dbraw/zinc/42/62/17/163426217.db2.gz RKWODWXVJVSRJB-UHFFFAOYSA-N 2 0 268.445 2.795 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449079686 287013904 /nfs/dbraw/zinc/01/39/04/287013904.db2.gz ZVRWZGMLDXMFSI-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000177982319 287018717 /nfs/dbraw/zinc/01/87/17/287018717.db2.gz IWEXYIWBABQBGC-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000353947168 287024492 /nfs/dbraw/zinc/02/44/92/287024492.db2.gz XXXHHDJGIKUNBT-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000245641976 287022987 /nfs/dbraw/zinc/02/29/87/287022987.db2.gz YVZQFTNESJACAX-OWCLPIDISA-N 2 0 291.439 2.622 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(N2CCCC2)c1 ZINC000422872946 287063034 /nfs/dbraw/zinc/06/30/34/287063034.db2.gz JGFJVHXJSJUOBZ-ZIAGYGMSSA-N 2 0 273.424 2.545 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000310104457 297187982 /nfs/dbraw/zinc/18/79/82/297187982.db2.gz MRFFGUHOKCKZBF-YPMHNXCESA-N 2 0 256.459 2.590 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020129035 171015910 /nfs/dbraw/zinc/01/59/10/171015910.db2.gz WTPCTNBWGXMHLF-AWEZNQCLSA-N 2 0 262.397 2.832 20 0 CFADRP CCCC(CCC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200450 171063678 /nfs/dbraw/zinc/06/36/78/171063678.db2.gz DDKUWEPKAZHWHR-UHFFFAOYSA-N 2 0 269.477 2.571 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CNCc2ccnn2CC2CC2)C1 ZINC000657347645 413476186 /nfs/dbraw/zinc/47/61/86/413476186.db2.gz DRVYXYIQCSAVGW-MRXNPFEDSA-N 2 0 290.455 2.503 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660660075 413481109 /nfs/dbraw/zinc/48/11/09/413481109.db2.gz DPXNBVCKZWQRKQ-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP CCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(C)c1 ZINC000657348821 413481504 /nfs/dbraw/zinc/48/15/04/413481504.db2.gz IRCBNFXKKKRTND-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C2CCC2)CC1)N1CC[NH+](C)CC1 ZINC000657350073 413483223 /nfs/dbraw/zinc/48/32/23/413483223.db2.gz ZSWBDIGPUWXVEO-FAEJEUNOSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(OC(F)F)CC2)CCN1C ZINC000651469556 413487002 /nfs/dbraw/zinc/48/70/02/413487002.db2.gz RADWCDYZCXWSON-GMKTYKIGSA-N 2 0 276.371 2.609 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)CO1 ZINC000657382320 413528813 /nfs/dbraw/zinc/52/88/13/413528813.db2.gz JYHDBVAMZZHNAT-CABCVRRESA-N 2 0 256.434 2.652 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000657386562 413537925 /nfs/dbraw/zinc/53/79/25/413537925.db2.gz ILTPZFKRRXLAJV-ZBFHGGJFSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000657386560 413539772 /nfs/dbraw/zinc/53/97/72/413539772.db2.gz ILTPZFKRRXLAJV-GOEBONIOSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2CCC3)C1 ZINC000651647301 413546094 /nfs/dbraw/zinc/54/60/94/413546094.db2.gz KNYYYESBUDENGE-OAHLLOKOSA-N 2 0 272.436 2.949 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCS1 ZINC000657394305 413547985 /nfs/dbraw/zinc/54/79/85/413547985.db2.gz NCFJRJOCGOQVHZ-HNNXBMFYSA-N 2 0 288.420 2.643 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2c1CCC2 ZINC000651668357 413551013 /nfs/dbraw/zinc/55/10/13/413551013.db2.gz IJSFEADBCMHMTD-UHFFFAOYSA-N 2 0 260.425 2.853 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000651674416 413561106 /nfs/dbraw/zinc/56/11/06/413561106.db2.gz OLFBLVODLJCCRO-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651675231 413559891 /nfs/dbraw/zinc/55/98/91/413559891.db2.gz MXFRIWZNDYNSRQ-IRXDYDNUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCSC1 ZINC000224282494 287268142 /nfs/dbraw/zinc/26/81/42/287268142.db2.gz JIOJORFHYSAWJK-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000651713888 413587513 /nfs/dbraw/zinc/58/75/13/413587513.db2.gz IPDOZZMZCNTORJ-YESZJQIVSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657428762 413590996 /nfs/dbraw/zinc/59/09/96/413590996.db2.gz APJSRNIRDCBQIO-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP CCCn1nccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657414938 413573739 /nfs/dbraw/zinc/57/37/39/413573739.db2.gz WSPRRPIDAWUZMP-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651765299 413624720 /nfs/dbraw/zinc/62/47/20/413624720.db2.gz LIUZBAZHBWKALG-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1c[nH+]ccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000664283181 413669134 /nfs/dbraw/zinc/66/91/34/413669134.db2.gz QJBWLRPOTCBTKT-UHFFFAOYSA-N 2 0 296.418 2.531 20 0 CFADRP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@@H](c1ccccc1)N(C)C ZINC000657438360 413607136 /nfs/dbraw/zinc/60/71/36/413607136.db2.gz JKHBRUNBDDJNLZ-KSSFIOAISA-N 2 0 298.434 2.610 20 0 CFADRP Cc1c[nH]c(CNC(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000657439457 413607803 /nfs/dbraw/zinc/60/78/03/413607803.db2.gz GYQYSXLNOUHCCP-UHFFFAOYSA-N 2 0 278.444 2.852 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000651864873 413683593 /nfs/dbraw/zinc/68/35/93/413683593.db2.gz HSGLLCCDZJUOIO-FICVDOATSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000651865958 413684517 /nfs/dbraw/zinc/68/45/17/413684517.db2.gz OGKOBXCPKHYQQF-JKSUJKDBSA-N 2 0 270.461 2.758 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H]1CO[C@H](C)C1)C1CCCCC1 ZINC000651910047 413712063 /nfs/dbraw/zinc/71/20/63/413712063.db2.gz FNMBQGURJRBODR-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]1C ZINC000657537751 413721346 /nfs/dbraw/zinc/72/13/46/413721346.db2.gz SCNPBQHYHCVEOV-CKEIUWERSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657537021 413721950 /nfs/dbraw/zinc/72/19/50/413721950.db2.gz YMCDXMUXYSVFDO-UHFFFAOYSA-N 2 0 292.423 2.569 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1C ZINC000657613521 413791738 /nfs/dbraw/zinc/79/17/38/413791738.db2.gz MISLQNZQCOAINL-RVKKMQEKSA-N 2 0 287.451 2.928 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC(C)(C)F)cc1 ZINC000657644906 413815893 /nfs/dbraw/zinc/81/58/93/413815893.db2.gz WCPWWUDJCFIKOP-UHFFFAOYSA-N 2 0 282.403 2.855 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000652220674 413835014 /nfs/dbraw/zinc/83/50/14/413835014.db2.gz GUVWRPCFEKGDQY-AWEZNQCLSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000652222045 413836237 /nfs/dbraw/zinc/83/62/37/413836237.db2.gz DHJZBGUGIDCOIG-BZUAXINKSA-N 2 0 282.472 2.758 20 0 CFADRP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)[C@H]21 ZINC000657790335 413935578 /nfs/dbraw/zinc/93/55/78/413935578.db2.gz XBWXFQWTURYCEF-KSIDHJATSA-N 2 0 286.394 2.680 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccccc2N(C)C)[C@@H]1CC[NH3+] ZINC000652355950 413905621 /nfs/dbraw/zinc/90/56/21/413905621.db2.gz NWWCHNMLBUSAGS-GOEBONIOSA-N 2 0 275.440 2.702 20 0 CFADRP Cc1ccnc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285588062 196335465 /nfs/dbraw/zinc/33/54/65/196335465.db2.gz JCBXADBJLDWWLZ-ZIAGYGMSSA-N 2 0 259.397 2.525 20 0 CFADRP Cc1ccnc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285588054 196336140 /nfs/dbraw/zinc/33/61/40/196336140.db2.gz JCBXADBJLDWWLZ-KBPBESRZSA-N 2 0 259.397 2.525 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657871418 414017612 /nfs/dbraw/zinc/01/76/12/414017612.db2.gz KQCWVQCKQBSXJP-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000657814089 413962016 /nfs/dbraw/zinc/96/20/16/413962016.db2.gz HNMVPXPRLYONRD-HALDLXJZSA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657816346 413964814 /nfs/dbraw/zinc/96/48/14/413964814.db2.gz NAVIJXKVDJDVMU-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657829850 413983931 /nfs/dbraw/zinc/98/39/31/413983931.db2.gz AJFHWQKFLLIRPP-NSHDSACASA-N 2 0 250.377 2.986 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000657829302 413984598 /nfs/dbraw/zinc/98/45/98/413984598.db2.gz XZSFFQKQENZYEE-INIZCTEOSA-N 2 0 274.408 2.549 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCC1 ZINC000657841855 413994591 /nfs/dbraw/zinc/99/45/91/413994591.db2.gz HIGVCOCPCMCJAD-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657841767 413995497 /nfs/dbraw/zinc/99/54/97/413995497.db2.gz RMQQJLTYJBIPHM-APIJFGDWSA-N 2 0 250.430 2.743 20 0 CFADRP FCC1(CF)CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000657844116 413995629 /nfs/dbraw/zinc/99/56/29/413995629.db2.gz GTUTYARUJPKPLP-UHFFFAOYSA-N 2 0 272.383 2.538 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(OCC)CC2)C1 ZINC000657842984 413996981 /nfs/dbraw/zinc/99/69/81/413996981.db2.gz CWNDLUPKGILOKQ-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2COC3(CCC3)C2)ccc1F ZINC000657884137 414028860 /nfs/dbraw/zinc/02/88/60/414028860.db2.gz KXAZIIMOHNLEQJ-OAHLLOKOSA-N 2 0 292.398 2.689 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)C(C)(C)C ZINC000657886169 414029577 /nfs/dbraw/zinc/02/95/77/414029577.db2.gz HSMWDJCJRJJFPH-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CO2 ZINC000657901493 414037684 /nfs/dbraw/zinc/03/76/84/414037684.db2.gz UKEFJNDGSQVFHO-HNNXBMFYSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@@H]([NH2+]CCc1ccccc1F)C1CC[NH+](C)CC1 ZINC000037209569 173030066 /nfs/dbraw/zinc/03/00/66/173030066.db2.gz HDNZQPJZJHBWEA-CYBMUJFWSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000037209999 173031245 /nfs/dbraw/zinc/03/12/45/173031245.db2.gz NJLOUACBYTUNQQ-GFCCVEGCSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000037229578 173050401 /nfs/dbraw/zinc/05/04/01/173050401.db2.gz HJAPRDJEXZZZGG-AWEZNQCLSA-N 2 0 274.408 2.758 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000657933093 414063587 /nfs/dbraw/zinc/06/35/87/414063587.db2.gz ZDQPJVUFQNSDII-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408253 173185054 /nfs/dbraw/zinc/18/50/54/173185054.db2.gz AVSFUVULCYFMTL-CQSZACIVSA-N 2 0 276.449 2.982 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657971738 414080438 /nfs/dbraw/zinc/08/04/38/414080438.db2.gz NFHHKXHHAGNZHV-NSHDSACASA-N 2 0 262.388 2.988 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCCSCC2)CCCC1 ZINC000657973453 414083355 /nfs/dbraw/zinc/08/33/55/414083355.db2.gz GGENLTLWHPBXMO-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000658045283 414128877 /nfs/dbraw/zinc/12/88/77/414128877.db2.gz DYOPXLPUYRVJMV-SEBNEYGDSA-N 2 0 250.430 2.741 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@@H]1C ZINC000658070348 414154340 /nfs/dbraw/zinc/15/43/40/414154340.db2.gz OBTDGJXUDOXPDF-QGTPRVQTSA-N 2 0 294.483 2.902 20 0 CFADRP COC1([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)CCC1 ZINC000657992026 414093898 /nfs/dbraw/zinc/09/38/98/414093898.db2.gz ZNKJEWMYKDXFCH-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CCOC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000658000096 414099809 /nfs/dbraw/zinc/09/98/09/414099809.db2.gz SQVGVYIUDMSXKB-UHFFFAOYSA-N 2 0 280.456 2.941 20 0 CFADRP CCOC1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000658034469 414117905 /nfs/dbraw/zinc/11/79/05/414117905.db2.gz GEBNNLZGLMAVRL-UHFFFAOYSA-N 2 0 273.380 2.772 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665263263 414220280 /nfs/dbraw/zinc/22/02/80/414220280.db2.gz JJJYEVABUKOLGV-ARFHVFGLSA-N 2 0 294.464 2.905 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263151 414223241 /nfs/dbraw/zinc/22/32/41/414223241.db2.gz GUYZGPGQKZSABJ-DKIMLUQUSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665268862 414224904 /nfs/dbraw/zinc/22/49/04/414224904.db2.gz WZQPBQRYLQDORU-BFYDXBDKSA-N 2 0 279.472 2.514 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2COc3cc(F)ccc3C2)c2ccccc21 ZINC000665267598 414225816 /nfs/dbraw/zinc/22/58/16/414225816.db2.gz ZIROCXFTOMNENI-KBRIMQKVSA-N 2 0 298.361 2.864 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665267514 414226350 /nfs/dbraw/zinc/22/63/50/414226350.db2.gz YGEPJMJMVIKKBN-YGRLFVJLSA-N 2 0 283.366 2.935 20 0 CFADRP CCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658144771 414231388 /nfs/dbraw/zinc/23/13/88/414231388.db2.gz OCRZQMCDAVCVFG-CRAIPNDOSA-N 2 0 290.451 2.922 20 0 CFADRP CCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139127 414231456 /nfs/dbraw/zinc/23/14/56/414231456.db2.gz LDGHNGQDGAWHQA-WMLDXEAASA-N 2 0 276.424 2.531 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2nsc3ccccc32)CC1 ZINC000665276515 414235033 /nfs/dbraw/zinc/23/50/33/414235033.db2.gz FLHFRKWFTPIMOE-UHFFFAOYSA-N 2 0 289.448 2.946 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275602 414235209 /nfs/dbraw/zinc/23/52/09/414235209.db2.gz NQWJRJPQFZNRAY-AAEUAGOBSA-N 2 0 275.421 2.556 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000665230232 414189922 /nfs/dbraw/zinc/18/99/22/414189922.db2.gz LHRVZUSMCKGNGV-GADNRMJZSA-N 2 0 280.456 2.702 20 0 CFADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665234918 414190807 /nfs/dbraw/zinc/19/08/07/414190807.db2.gz MGSMCKPDNYOMLQ-UHOFOFEASA-N 2 0 264.388 2.877 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665239364 414197903 /nfs/dbraw/zinc/19/79/03/414197903.db2.gz RYBBQSMMERHDDJ-RDJZCZTQSA-N 2 0 275.440 2.833 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1F)C(C)C ZINC000665241248 414202829 /nfs/dbraw/zinc/20/28/29/414202829.db2.gz GFAVBXGTJLTQQH-CJNGLKHVSA-N 2 0 282.403 2.866 20 0 CFADRP CC[C@@H]([NH2+]CC1(C[NH2+][C@@H](CC)C2CC2)COC1)C1CC1 ZINC000661761586 414203364 /nfs/dbraw/zinc/20/33/64/414203364.db2.gz HYPCLULKTPLYEL-IYBDPMFKSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000665245259 414203936 /nfs/dbraw/zinc/20/39/36/414203936.db2.gz CTCMOAFXFQDUSO-OKZBNKHCSA-N 2 0 272.436 2.824 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2occc21 ZINC000658109202 414210085 /nfs/dbraw/zinc/21/00/85/414210085.db2.gz UGJXENLKHGGUPT-GOEBONIOSA-N 2 0 293.455 2.519 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665262317 414217319 /nfs/dbraw/zinc/21/73/19/414217319.db2.gz YMKBWRSYBJFIRQ-FKJOKYEKSA-N 2 0 296.361 2.605 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665279376 414241687 /nfs/dbraw/zinc/24/16/87/414241687.db2.gz BCWNLQKVDSJQIQ-SWLSCSKDSA-N 2 0 280.412 2.728 20 0 CFADRP C([NH2+]C1CCC(OC2CCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000665279942 414241846 /nfs/dbraw/zinc/24/18/46/414241846.db2.gz PTRIYDGLBUSJAZ-UHFFFAOYSA-N 2 0 278.440 2.598 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000665280760 414241920 /nfs/dbraw/zinc/24/19/20/414241920.db2.gz KIWVGUCDCOLIAZ-CABCVRRESA-N 2 0 262.397 2.863 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000665281443 414242908 /nfs/dbraw/zinc/24/29/08/414242908.db2.gz CFCHNZDVTPXQEX-HUUCEWRRSA-N 2 0 284.831 2.991 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000665280425 414244107 /nfs/dbraw/zinc/24/41/07/414244107.db2.gz APDLEKFNJKBFBP-IINYFYTJSA-N 2 0 256.340 2.989 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281963 414246814 /nfs/dbraw/zinc/24/68/14/414246814.db2.gz NJCUKNNXAIVTAD-MGPQQGTHSA-N 2 0 256.434 2.542 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)C1CCCCC1 ZINC000665283127 414247098 /nfs/dbraw/zinc/24/70/98/414247098.db2.gz HUKKZHNFGQXUAD-DZGCQCFKSA-N 2 0 256.434 2.546 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000665282794 414248471 /nfs/dbraw/zinc/24/84/71/414248471.db2.gz BZBYRJMJFBDVPH-CWRNSKLLSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ccco1 ZINC000665282833 414248521 /nfs/dbraw/zinc/24/85/21/414248521.db2.gz CNZVSHCENFZDQH-YOEHRIQHSA-N 2 0 272.392 2.760 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)C1CCCCC1 ZINC000665283130 414249381 /nfs/dbraw/zinc/24/93/81/414249381.db2.gz HUKKZHNFGQXUAD-ZFWWWQNUSA-N 2 0 256.434 2.546 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)CCCC[NH3+])C1CCCCC1 ZINC000665282770 414249555 /nfs/dbraw/zinc/24/95/55/414249555.db2.gz BLEYQQAGPLDNRM-UKRRQHHQSA-N 2 0 256.434 2.689 20 0 CFADRP c1coc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665283582 414252704 /nfs/dbraw/zinc/25/27/04/414252704.db2.gz QEGIWLRBXHMQJE-BZUAXINKSA-N 2 0 262.397 2.723 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299013 414273013 /nfs/dbraw/zinc/27/30/13/414273013.db2.gz DYKKFFZCICOPQC-JTQLQIEISA-N 2 0 275.318 2.708 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665300107 414273557 /nfs/dbraw/zinc/27/35/57/414273557.db2.gz YJUYUJRCPOPYLY-SJLPKXTDSA-N 2 0 290.451 2.698 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@H](C)C1 ZINC000658197426 414277109 /nfs/dbraw/zinc/27/71/09/414277109.db2.gz GBFBMDCCAIDSIZ-WBVHZDCISA-N 2 0 294.439 2.549 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2COc3cc(F)ccc3C2)CC1 ZINC000658227386 414300772 /nfs/dbraw/zinc/30/07/72/414300772.db2.gz VRQWTSDLEKCMFC-MRXNPFEDSA-N 2 0 292.398 2.592 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000658236497 414307459 /nfs/dbraw/zinc/30/74/59/414307459.db2.gz IYNYVVIKDXHZSZ-YPMHNXCESA-N 2 0 289.379 2.668 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414853557 533679958 /nfs/dbraw/zinc/67/99/58/533679958.db2.gz KZNVEDWMYWHBNC-UONOGXRCSA-N 2 0 264.388 2.736 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@@H](C)C1 ZINC000658326804 414377142 /nfs/dbraw/zinc/37/71/42/414377142.db2.gz KDAWJNREJUSDIX-ZFWWWQNUSA-N 2 0 250.386 2.532 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000658328855 414379512 /nfs/dbraw/zinc/37/95/12/414379512.db2.gz HVKYAWVZFYTMJH-YOEHRIQHSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655717177 414387569 /nfs/dbraw/zinc/38/75/69/414387569.db2.gz WJZWAMBCDNGGOY-UKRRQHHQSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CS1 ZINC000655764761 414418565 /nfs/dbraw/zinc/41/85/65/414418565.db2.gz QVEQXVQOGRUFRW-LMRVLLHPSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CS1 ZINC000655764760 414419345 /nfs/dbraw/zinc/41/93/45/414419345.db2.gz QVEQXVQOGRUFRW-HESLUPGFSA-N 2 0 268.470 2.877 20 0 CFADRP C[N@@H+]1CCC[C@H](CCNc2ccnc(C(C)(C)C)n2)C1 ZINC000665738377 414428696 /nfs/dbraw/zinc/42/86/96/414428696.db2.gz XRBRUHUKQHWRCF-CYBMUJFWSA-N 2 0 276.428 2.918 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153405 414434274 /nfs/dbraw/zinc/43/42/74/414434274.db2.gz REZMGIUEXGXMIZ-WBVHZDCISA-N 2 0 282.472 2.734 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000655804279 414449478 /nfs/dbraw/zinc/44/94/78/414449478.db2.gz ROQCTGSCRPWLSI-LJISPDSOSA-N 2 0 282.472 2.898 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000655805114 414449680 /nfs/dbraw/zinc/44/96/80/414449680.db2.gz CLHMFWLVQZMFLC-SGMGOOAPSA-N 2 0 280.387 2.825 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000655805911 414450754 /nfs/dbraw/zinc/45/07/54/414450754.db2.gz NCQBWHCYGISZHA-WZRBSPASSA-N 2 0 268.351 2.956 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000655805202 414450760 /nfs/dbraw/zinc/45/07/60/414450760.db2.gz KPJVWHOONDUZHP-IVMMDQJWSA-N 2 0 279.403 2.848 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H]1OC ZINC000655805390 414451162 /nfs/dbraw/zinc/45/11/62/414451162.db2.gz MYPLCUONGGTYDC-XGUBFFRZSA-N 2 0 268.445 2.510 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000655806814 414451388 /nfs/dbraw/zinc/45/13/88/414451388.db2.gz BUBXKJRSWYMYPJ-UKPHBRMFSA-N 2 0 258.409 2.994 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806264 414451465 /nfs/dbraw/zinc/45/14/65/414451465.db2.gz TUEKSJZYVGAFTF-SOUVJXGZSA-N 2 0 276.424 2.994 20 0 CFADRP CC[C@@H](CC(F)F)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000662246634 414473500 /nfs/dbraw/zinc/47/35/00/414473500.db2.gz AACFVDNCGJHOOA-NWDGAFQWSA-N 2 0 250.377 2.973 20 0 CFADRP COc1cccc(SCC[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000662246691 414473646 /nfs/dbraw/zinc/47/36/46/414473646.db2.gz BMVXNJPRKMOBSA-UHFFFAOYSA-N 2 0 282.453 2.704 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000655826079 414462275 /nfs/dbraw/zinc/46/22/75/414462275.db2.gz FLUKZNMPXMVFMC-AKAXFMLLSA-N 2 0 288.435 2.830 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826513 414462979 /nfs/dbraw/zinc/46/29/79/414462979.db2.gz GTPAPSUONMEPHJ-HKMLRDQCSA-N 2 0 274.408 2.638 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000655827554 414464614 /nfs/dbraw/zinc/46/46/14/414464614.db2.gz UAXXSWAZMOWPHG-BJHJDKERSA-N 2 0 279.453 2.840 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000655827005 414464724 /nfs/dbraw/zinc/46/47/24/414464724.db2.gz MHHSJESIXNAVFB-CALCHBBNSA-N 2 0 288.435 2.905 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+])C1CCCCC1 ZINC000662234827 414468950 /nfs/dbraw/zinc/46/89/50/414468950.db2.gz NSFSXGDBISREEN-VNQPRFMTSA-N 2 0 268.445 2.783 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352060 414397200 /nfs/dbraw/zinc/39/72/00/414397200.db2.gz CKNHLGUARKDKIG-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP COCCC[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658355487 414400669 /nfs/dbraw/zinc/40/06/69/414400669.db2.gz IZLUBYYIBOHJIL-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nccs1 ZINC000658356223 414401287 /nfs/dbraw/zinc/40/12/87/414401287.db2.gz MZYPJJSKKYVHAJ-LBPRGKRZSA-N 2 0 279.453 2.916 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000658358266 414403584 /nfs/dbraw/zinc/40/35/84/414403584.db2.gz ZUANZJFWCVIZAX-SFHVURJKSA-N 2 0 294.483 2.903 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000655746552 414405132 /nfs/dbraw/zinc/40/51/32/414405132.db2.gz WZYZVQYUKQZKCV-MRXNPFEDSA-N 2 0 289.423 2.614 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662245180 414474712 /nfs/dbraw/zinc/47/47/12/414474712.db2.gz IMSSIGSZQXZWGU-HLLBOEOZSA-N 2 0 258.409 2.851 20 0 CFADRP CC[C@H](CC(F)F)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000662246630 414474884 /nfs/dbraw/zinc/47/48/84/414474884.db2.gz AACFVDNCGJHOOA-NEPJUHHUSA-N 2 0 250.377 2.973 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000655848820 414476137 /nfs/dbraw/zinc/47/61/37/414476137.db2.gz LUTOFOJZUWTAOB-NCOADZHNSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCc2ccccc21 ZINC000662248857 414476287 /nfs/dbraw/zinc/47/62/87/414476287.db2.gz LCAPSFUQDFPXEO-DOTOQJQBSA-N 2 0 286.419 2.517 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000655848827 414476427 /nfs/dbraw/zinc/47/64/27/414476427.db2.gz LVVDWJJJFVLGEK-PVAVHDDUSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCCO1 ZINC000655847374 414476615 /nfs/dbraw/zinc/47/66/15/414476615.db2.gz AJKYHTLENBWDMC-DLBZAZTESA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250223 414476793 /nfs/dbraw/zinc/47/67/93/414476793.db2.gz BAMMRYNJOUCFGD-IRXDYDNUSA-N 2 0 286.419 2.653 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251071 414476811 /nfs/dbraw/zinc/47/68/11/414476811.db2.gz XIWMNDGTBSUASJ-SWLSCSKDSA-N 2 0 294.826 2.854 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251967 414477168 /nfs/dbraw/zinc/47/71/68/414477168.db2.gz HDUNZTKEGYEKNZ-AEFFLSMTSA-N 2 0 298.430 2.659 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@@H]2CCC[C@H]21 ZINC000655853255 414481434 /nfs/dbraw/zinc/48/14/34/414481434.db2.gz UDZIOZAWMRGQFK-LUKYLMHMSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000662265229 414481649 /nfs/dbraw/zinc/48/16/49/414481649.db2.gz GQBBTUQWOSEJRX-GVDBMIGSSA-N 2 0 258.409 2.979 20 0 CFADRP CC(C)[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000662259258 414482429 /nfs/dbraw/zinc/48/24/29/414482429.db2.gz SXDPJYINSPUVGE-QGZVFWFLSA-N 2 0 290.476 2.906 20 0 CFADRP CC[C@H](CC(F)F)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000662264800 414482770 /nfs/dbraw/zinc/48/27/70/414482770.db2.gz MHJQNCNUJSSCER-GFCCVEGCSA-N 2 0 262.388 2.989 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000662265637 414485132 /nfs/dbraw/zinc/48/51/32/414485132.db2.gz HQBWUWGTLSGAEO-IACUBPJLSA-N 2 0 294.826 2.908 20 0 CFADRP CC[C@@H](CC(F)F)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662272376 414488686 /nfs/dbraw/zinc/48/86/86/414488686.db2.gz FLFHNOVFKVVYCF-GXTWGEPZSA-N 2 0 274.399 2.989 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662276003 414490219 /nfs/dbraw/zinc/49/02/19/414490219.db2.gz GVOJUWVMWMUYBS-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659293430 414490569 /nfs/dbraw/zinc/49/05/69/414490569.db2.gz HSIWHLWFKVKFGL-PXAZEXFGSA-N 2 0 295.386 2.879 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000662274058 414490575 /nfs/dbraw/zinc/49/05/75/414490575.db2.gz SYBXJKASKALPMN-AWEZNQCLSA-N 2 0 288.313 2.598 20 0 CFADRP c1ccc(C[N@H+](Cc2cccc3c2CC[NH2+]C3)C2CC2)nc1 ZINC000662276467 414491917 /nfs/dbraw/zinc/49/19/17/414491917.db2.gz JEKMMNGTUUUMDS-UHFFFAOYSA-N 2 0 293.414 2.892 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000662277653 414493219 /nfs/dbraw/zinc/49/32/19/414493219.db2.gz RLIMNXRVNQJQHM-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCC2CCC2)CC1 ZINC000662280953 414493286 /nfs/dbraw/zinc/49/32/86/414493286.db2.gz IRGIOPWYNRFOFT-IRXDYDNUSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2noc3ccccc32)C[C@H]1C[NH3+] ZINC000655939954 414494793 /nfs/dbraw/zinc/49/47/93/414494793.db2.gz NDFCELAGFGUPAA-MGPQQGTHSA-N 2 0 287.407 2.676 20 0 CFADRP CCCCC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284184 414495379 /nfs/dbraw/zinc/49/53/79/414495379.db2.gz FRGXGLRJYNOWCO-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283238 414495450 /nfs/dbraw/zinc/49/54/50/414495450.db2.gz SUBLGFWFMZECIA-ARFHVFGLSA-N 2 0 280.456 2.702 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662283911 414495500 /nfs/dbraw/zinc/49/55/00/414495500.db2.gz RJSUYBDHLZNXMX-RVMXOQNASA-N 2 0 262.388 2.973 20 0 CFADRP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284654 414495633 /nfs/dbraw/zinc/49/56/33/414495633.db2.gz OGBPISQCAOEVEO-JKSUJKDBSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)=CCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662283952 414495724 /nfs/dbraw/zinc/49/57/24/414495724.db2.gz DSXJXXAXXPVVAS-ARFHVFGLSA-N 2 0 266.429 2.561 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000655939409 414495857 /nfs/dbraw/zinc/49/58/57/414495857.db2.gz PNARPCYTQNQTFE-MLGOLLRUSA-N 2 0 282.378 2.957 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3c(F)cccc3F)C[C@@H]21 ZINC000655938648 414496081 /nfs/dbraw/zinc/49/60/81/414496081.db2.gz ZZGCQCGKJNOOFN-RVSPLBMKSA-N 2 0 294.389 2.957 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000662285211 414496294 /nfs/dbraw/zinc/49/62/94/414496294.db2.gz ZWCIUPZNZIIDKG-QWHCGFSZSA-N 2 0 280.437 2.599 20 0 CFADRP C[C@H]1CCC[N@H+](CCc2noc3ccccc32)[C@H]1CC[NH3+] ZINC000655942237 414496529 /nfs/dbraw/zinc/49/65/29/414496529.db2.gz NTHHXACWCAXKNN-BBRMVZONSA-N 2 0 287.407 2.820 20 0 CFADRP C[N@H+](CCOC(C)(C)C)Cc1cccc2c1CC[NH2+]C2 ZINC000662287286 414496608 /nfs/dbraw/zinc/49/66/08/414496608.db2.gz XSKDNUJTVFTSGY-UHFFFAOYSA-N 2 0 276.424 2.579 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655942603 414496616 /nfs/dbraw/zinc/49/66/16/414496616.db2.gz UXKHAMSBYRGPSE-UHFFFAOYSA-N 2 0 282.378 2.958 20 0 CFADRP CCc1csc(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000655947687 414496686 /nfs/dbraw/zinc/49/66/86/414496686.db2.gz VOXJQKXRDKBXDL-AWEZNQCLSA-N 2 0 293.480 2.570 20 0 CFADRP c1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290602 414496772 /nfs/dbraw/zinc/49/67/72/414496772.db2.gz ZBSZNSRYMRAGBF-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP CCc1csc(CC2CC[NH+](CCC[NH2+]C)CC2)n1 ZINC000655947012 414497200 /nfs/dbraw/zinc/49/72/00/414497200.db2.gz PKFKBGNTHRBMBY-UHFFFAOYSA-N 2 0 281.469 2.570 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662285561 414497786 /nfs/dbraw/zinc/49/77/86/414497786.db2.gz LMPQNPVZEHHDRE-OBJOEFQTSA-N 2 0 260.372 2.729 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000662285209 414497970 /nfs/dbraw/zinc/49/79/70/414497970.db2.gz ZWCIUPZNZIIDKG-CHWSQXEVSA-N 2 0 280.437 2.599 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CCC1 ZINC000662292641 414498087 /nfs/dbraw/zinc/49/80/87/414498087.db2.gz GSYOOWMSVMFZQB-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@H]1CCCCO1 ZINC000662294738 414498525 /nfs/dbraw/zinc/49/85/25/414498525.db2.gz SKMOGWPEWKEREN-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297503 414498814 /nfs/dbraw/zinc/49/88/14/414498814.db2.gz QWIXDSZNPLZKAF-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295186 414499305 /nfs/dbraw/zinc/49/93/05/414499305.db2.gz UDIAOQJHZYEJOZ-PBHICJAKSA-N 2 0 273.424 2.854 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H]1CCCCO1 ZINC000662295076 414499752 /nfs/dbraw/zinc/49/97/52/414499752.db2.gz SKMOGWPEWKEREN-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000662301933 414500635 /nfs/dbraw/zinc/50/06/35/414500635.db2.gz IOVFBXJZQHERQW-IUODEOHRSA-N 2 0 250.361 2.722 20 0 CFADRP FCC[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662310235 414503425 /nfs/dbraw/zinc/50/34/25/414503425.db2.gz ILKTYTDOFNPECG-AWEZNQCLSA-N 2 0 276.399 2.904 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCCCO2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000662312620 414503557 /nfs/dbraw/zinc/50/35/57/414503557.db2.gz IQBSPLWTDMFLPU-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)[C@@H]1CCC[NH3+] ZINC000662313914 414503674 /nfs/dbraw/zinc/50/36/74/414503674.db2.gz NJVYVGQRKGZTTQ-OWCLPIDISA-N 2 0 268.445 2.785 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCCCO2)CC1)C1CC[NH2+]CC1 ZINC000662311747 414504098 /nfs/dbraw/zinc/50/40/98/414504098.db2.gz DFKPMJUEKYHSJH-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCc2ccncc2)[C@@H]1CCC[NH3+] ZINC000662318247 414504733 /nfs/dbraw/zinc/50/47/33/414504733.db2.gz XJBPQHCQIJSXGM-NVXWUHKLSA-N 2 0 275.440 2.854 20 0 CFADRP Cc1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000662314433 414504924 /nfs/dbraw/zinc/50/49/24/414504924.db2.gz DBSYPXAEYHWSCG-BXUZGUMPSA-N 2 0 267.442 2.791 20 0 CFADRP c1cc(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)no1 ZINC000662314647 414505896 /nfs/dbraw/zinc/50/58/96/414505896.db2.gz ACEBGDSQDOOHJH-UHFFFAOYSA-N 2 0 277.412 2.634 20 0 CFADRP Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662317206 414505951 /nfs/dbraw/zinc/50/59/51/414505951.db2.gz PEALPQJDSLTGPI-BXUZGUMPSA-N 2 0 267.442 2.791 20 0 CFADRP Cc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662326529 414506824 /nfs/dbraw/zinc/50/68/24/414506824.db2.gz VKRSAKHETZMXFZ-GOSISDBHSA-N 2 0 290.451 2.846 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325949 414507591 /nfs/dbraw/zinc/50/75/91/414507591.db2.gz MAOKGIIJCZGLEM-UONOGXRCSA-N 2 0 292.414 2.710 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000656192965 414529813 /nfs/dbraw/zinc/52/98/13/414529813.db2.gz AFTWZPRPRFVOAD-KGLIPLIRSA-N 2 0 252.789 2.742 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000656193339 414530802 /nfs/dbraw/zinc/53/08/02/414530802.db2.gz HHFCLHRFCUXCOK-MCIONIFRSA-N 2 0 256.434 2.558 20 0 CFADRP CC(C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000662382498 414530885 /nfs/dbraw/zinc/53/08/85/414530885.db2.gz VZSYDUQOPJLZRE-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cn(C)c2c1 ZINC000656197925 414531651 /nfs/dbraw/zinc/53/16/51/414531651.db2.gz DYQCHKJEMWFVRR-CVEARBPZSA-N 2 0 285.435 2.889 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198075 414532067 /nfs/dbraw/zinc/53/20/67/414532067.db2.gz CYNTVPSYIHWRBI-FGZQJIAISA-N 2 0 254.418 2.582 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656196859 414532336 /nfs/dbraw/zinc/53/23/36/414532336.db2.gz PTJAYDJXJGCJBW-ZIAGYGMSSA-N 2 0 264.438 2.947 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]1 ZINC000656200740 414533466 /nfs/dbraw/zinc/53/34/66/414533466.db2.gz CYUKXYCUSWDYMY-GVXVVHGQSA-N 2 0 260.372 2.931 20 0 CFADRP COc1ccccc1C1([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656200630 414533567 /nfs/dbraw/zinc/53/35/67/414533567.db2.gz SGIMBIREIQZKNJ-QWHCGFSZSA-N 2 0 260.381 2.544 20 0 CFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000656202062 414533826 /nfs/dbraw/zinc/53/38/26/414533826.db2.gz WYEDLKQEKQCGQX-YUELXQCFSA-N 2 0 290.407 2.626 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000656201403 414534629 /nfs/dbraw/zinc/53/46/29/414534629.db2.gz WWEBQPSKIANLKS-SJLPKXTDSA-N 2 0 281.403 2.975 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C1 ZINC000656199092 414534675 /nfs/dbraw/zinc/53/46/75/414534675.db2.gz LIHFIIRECKBFBN-MNOVXSKESA-N 2 0 286.778 2.717 20 0 CFADRP [NH3+]C[C@H]1CCCc2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc21 ZINC000656560777 414607539 /nfs/dbraw/zinc/60/75/39/414607539.db2.gz HZARHWHHALZNSU-HIFRSBDPSA-N 2 0 298.390 2.540 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(C[C@H]2[NH2+]Cc3ccccc32)n1 ZINC000656560435 414607779 /nfs/dbraw/zinc/60/77/79/414607779.db2.gz XSEBSKJVVGYBAT-ZIAGYGMSSA-N 2 0 286.379 2.503 20 0 CFADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CO1 ZINC000659945389 414626120 /nfs/dbraw/zinc/62/61/20/414626120.db2.gz URRKMVCPTNSAJA-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656268427 414554743 /nfs/dbraw/zinc/55/47/43/414554743.db2.gz CQSWZRRYXHRBHK-BMFZPTHFSA-N 2 0 276.424 2.643 20 0 CFADRP CCC[C@@H]([NH3+])c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456221 414580976 /nfs/dbraw/zinc/58/09/76/414580976.db2.gz UTWSNRVAFDHGLC-JKSUJKDBSA-N 2 0 299.422 2.525 20 0 CFADRP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656700131 414642162 /nfs/dbraw/zinc/64/21/62/414642162.db2.gz ZBGASUWWAQXTNH-HOTGVXAUSA-N 2 0 270.461 2.588 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](OC)C2CCCC2)CC1 ZINC000659983844 414642996 /nfs/dbraw/zinc/64/29/96/414642996.db2.gz WYANKIJAKLBYAS-KRWDZBQOSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660108702 414663655 /nfs/dbraw/zinc/66/36/55/414663655.db2.gz YUBVOCMUPBMQBC-BRSBDYLESA-N 2 0 293.499 2.523 20 0 CFADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660014351 414650692 /nfs/dbraw/zinc/65/06/92/414650692.db2.gz SWRSZMRFAOSKHZ-HRCADAONSA-N 2 0 270.461 2.588 20 0 CFADRP C[N@H+](Cc1cccc2cccnc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747081 174392601 /nfs/dbraw/zinc/39/26/01/174392601.db2.gz GWEAVACUTJXQNG-SJPCQFCGSA-N 2 0 281.403 2.950 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccs1)N1CC[NH+](C)CC1 ZINC000040770086 174399897 /nfs/dbraw/zinc/39/98/97/174399897.db2.gz HCJGMZXWBMRAOA-GJZGRUSLSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000663344801 414677079 /nfs/dbraw/zinc/67/70/79/414677079.db2.gz XPFRBHCQWSANNB-WTTBNOFXSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347230 414677442 /nfs/dbraw/zinc/67/74/42/414677442.db2.gz HMTBVMVDUPGJLV-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP CCC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCOCC1 ZINC000663346877 414677578 /nfs/dbraw/zinc/67/75/78/414677578.db2.gz WMPQUJHEHBJANI-QGZVFWFLSA-N 2 0 294.483 2.905 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000044426607 175175479 /nfs/dbraw/zinc/17/54/79/175175479.db2.gz DPDDTUWONSBBHE-LBPRGKRZSA-N 2 0 272.314 2.876 20 0 CFADRP [NH3+]CC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000044513962 175189313 /nfs/dbraw/zinc/18/93/13/175189313.db2.gz JDCRIGMTRAAQMA-UHFFFAOYSA-N 2 0 268.401 2.589 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000044514101 175189553 /nfs/dbraw/zinc/18/95/53/175189553.db2.gz UJOMTRRKVKPCNG-UHFFFAOYSA-N 2 0 289.354 2.651 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000044513707 175189577 /nfs/dbraw/zinc/18/95/77/175189577.db2.gz QFEMRJMWSREAHC-UHFFFAOYSA-N 2 0 271.364 2.512 20 0 CFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000044515417 175190070 /nfs/dbraw/zinc/19/00/70/175190070.db2.gz ZCPIPHXUGGRSTL-WFASDCNBSA-N 2 0 262.397 2.834 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(F)c2F)CC1 ZINC000044518598 175190804 /nfs/dbraw/zinc/19/08/04/175190804.db2.gz LRNVIEOOUOZUFR-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532870 175196500 /nfs/dbraw/zinc/19/65/00/175196500.db2.gz BJUSWVFFGNTBBK-UONOGXRCSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345764824 287299633 /nfs/dbraw/zinc/29/96/33/287299633.db2.gz FIQBINCOKQKGDH-IKGGRYGDSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1([NH3+])CCC1 ZINC000414883472 533680508 /nfs/dbraw/zinc/68/05/08/533680508.db2.gz UZBXKEYMNKSDMA-LBPRGKRZSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430954424 287306840 /nfs/dbraw/zinc/30/68/40/287306840.db2.gz JLVXNKHFVNQVCA-CABCVRRESA-N 2 0 250.430 2.888 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193129541 228103093 /nfs/dbraw/zinc/10/30/93/228103093.db2.gz UWNUYLZUJDMKRT-GOEBONIOSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414907415 287625873 /nfs/dbraw/zinc/62/58/73/287625873.db2.gz ASQFDOYXUSDHTP-FZCLSBEQSA-N 2 0 293.499 2.617 20 0 CFADRP c1ccc(SCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400943807 420503253 /nfs/dbraw/zinc/50/32/53/420503253.db2.gz UCOIFTAAFCWBHA-RRFJBIMHSA-N 2 0 276.449 2.756 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000400962311 420502768 /nfs/dbraw/zinc/50/27/68/420502768.db2.gz LOYXXPIAWJPNAI-BSWAZPDLSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000397375323 270317850 /nfs/dbraw/zinc/31/78/50/270317850.db2.gz IMBOXOUKVPCYAK-VYDXJSESSA-N 2 0 260.425 2.924 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000517236102 260123235 /nfs/dbraw/zinc/12/32/35/260123235.db2.gz KANDETWXWKWUEF-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP CC(C)[C@H](C[NH2+]CC1CCCCCC1)N1CC[NH+](C)CC1 ZINC000089559989 260187761 /nfs/dbraw/zinc/18/77/61/260187761.db2.gz JIGMWJWYRWIVHH-SFHVURJKSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCOCC2CCCC2)CC1 ZINC000313304709 260280176 /nfs/dbraw/zinc/28/01/76/260280176.db2.gz RNKZUTAFVKRXQF-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CCn1c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)nc2ccccc21 ZINC000517892138 260314949 /nfs/dbraw/zinc/31/49/49/260314949.db2.gz IGBPRVXHGVBTBX-KGLIPLIRSA-N 2 0 286.423 2.663 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1Cl ZINC000234803461 522667663 /nfs/dbraw/zinc/66/76/63/522667663.db2.gz GCFHWGSUJKYCFO-RYUDHWBXSA-N 2 0 270.804 2.745 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000222974976 270255251 /nfs/dbraw/zinc/25/52/51/270255251.db2.gz BEYOSQMOHJIZER-IACUBPJLSA-N 2 0 278.396 2.624 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000390311406 262177791 /nfs/dbraw/zinc/17/77/91/262177791.db2.gz FXCYFDXQZDLMIK-FUHWJXTLSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390386319 262186719 /nfs/dbraw/zinc/18/67/19/262186719.db2.gz DDYYPQAKMWCKLJ-ROUUACIJSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390437960 262192552 /nfs/dbraw/zinc/19/25/52/262192552.db2.gz TZQLMXVMKQZOIE-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000390623850 262230201 /nfs/dbraw/zinc/23/02/01/262230201.db2.gz GPBCCQLUIQSAJG-HOTGVXAUSA-N 2 0 277.456 2.614 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000414776589 263044911 /nfs/dbraw/zinc/04/49/11/263044911.db2.gz FTIYOLDMYJERCA-NSHDSACASA-N 2 0 252.789 2.785 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000514930828 270358375 /nfs/dbraw/zinc/35/83/75/270358375.db2.gz ZJDAQVDSRWHKFL-UONOGXRCSA-N 2 0 250.386 2.723 20 0 CFADRP CN(CCC[NH+](C)C)Cc1c(C2CC2)nc2sccn12 ZINC000518837913 265122304 /nfs/dbraw/zinc/12/23/04/265122304.db2.gz BRPLDAQNNCEIGA-UHFFFAOYSA-N 2 0 292.452 2.657 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000314694477 265178250 /nfs/dbraw/zinc/17/82/50/265178250.db2.gz AUMJPXMZHAAETD-SJLPKXTDSA-N 2 0 288.435 2.756 20 0 CFADRP CC(C)C[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000093514137 265186631 /nfs/dbraw/zinc/18/66/31/265186631.db2.gz BHVVJEUXURANBO-YESZJQIVSA-N 2 0 283.504 2.863 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[NH+]1CCCCCC1 ZINC000192465994 270232004 /nfs/dbraw/zinc/23/20/04/270232004.db2.gz JNKQRTNIJHRKSV-IKGGRYGDSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)C(C)C ZINC000192726918 270233117 /nfs/dbraw/zinc/23/31/17/270233117.db2.gz OVIDIZHAKGCSCD-QGZVFWFLSA-N 2 0 283.504 2.769 20 0 CFADRP CCC[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192757292 270233761 /nfs/dbraw/zinc/23/37/61/270233761.db2.gz GPIQBNKGRWRABA-GOSISDBHSA-N 2 0 295.515 2.915 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000194028064 270241867 /nfs/dbraw/zinc/24/18/67/270241867.db2.gz AYBWEHUUVZSFJS-MRXNPFEDSA-N 2 0 296.842 2.959 20 0 CFADRP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000258910441 270274599 /nfs/dbraw/zinc/27/45/99/270274599.db2.gz ICXXYBSVGQHTDY-HZPDHXFCSA-N 2 0 260.425 2.996 20 0 CFADRP c1ccc2cc(C[NH2+]CC[C@H]3CC[NH2+]C3)ccc2c1 ZINC000258904537 270274992 /nfs/dbraw/zinc/27/49/92/270274992.db2.gz DUNBDOXJFRYXHP-CQSZACIVSA-N 2 0 254.377 2.929 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258950493 270274997 /nfs/dbraw/zinc/27/49/97/270274997.db2.gz KLMCGBPIKZHZOV-HOTGVXAUSA-N 2 0 260.425 2.996 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)cc1Br ZINC000394987558 270311061 /nfs/dbraw/zinc/31/10/61/270311061.db2.gz INOIJUSIRIIAPR-UHFFFAOYSA-N 2 0 283.213 2.679 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000397264314 270316755 /nfs/dbraw/zinc/31/67/55/270316755.db2.gz IPGSBUNUCIMYAJ-NXEZZACHSA-N 2 0 289.242 2.728 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397250988 270316952 /nfs/dbraw/zinc/31/69/52/270316952.db2.gz COLVWWINMYSGIZ-IPYPFGDCSA-N 2 0 292.423 2.509 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000397336648 270317340 /nfs/dbraw/zinc/31/73/40/270317340.db2.gz TYAWSGGLBUESLY-NRUUGDAUSA-N 2 0 267.442 2.565 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000397329647 270317453 /nfs/dbraw/zinc/31/74/53/270317453.db2.gz PLIUCYAICLCXEB-HLLBOEOZSA-N 2 0 282.472 2.889 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000397884297 270320806 /nfs/dbraw/zinc/32/08/06/270320806.db2.gz AYKBDDWYQSUFAE-ZOBORPQBSA-N 2 0 256.459 2.781 20 0 CFADRP COc1ccc(C2([NH2+][C@H](C)CCCC[NH3+])CC2)cc1 ZINC000422931416 270332456 /nfs/dbraw/zinc/33/24/56/270332456.db2.gz BQAATISTOBXVKF-CYBMUJFWSA-N 2 0 262.397 2.791 20 0 CFADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423012140 270332724 /nfs/dbraw/zinc/33/27/24/270332724.db2.gz KAEZENGSUGCAJX-GVDBMIGSSA-N 2 0 273.424 2.790 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424377516 270333226 /nfs/dbraw/zinc/33/32/26/270333226.db2.gz RHUMYRILBIYDGL-NWINJMCUSA-N 2 0 256.459 2.768 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311046 270367903 /nfs/dbraw/zinc/36/79/03/270367903.db2.gz AQUKCGDWZDTHCN-JKSUJKDBSA-N 3 0 267.461 2.502 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000516631955 270385946 /nfs/dbraw/zinc/38/59/46/270385946.db2.gz BAIMWFCDVUCWIG-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP CCn1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000516914447 270390765 /nfs/dbraw/zinc/39/07/65/270390765.db2.gz PGVSYFDRZNJPCL-AWEZNQCLSA-N 2 0 286.423 2.536 20 0 CFADRP CC(C)[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000517144304 270397945 /nfs/dbraw/zinc/39/79/45/270397945.db2.gz AXFGUEWVCKGGSZ-BZSNNMDCSA-N 2 0 272.436 2.968 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000517217379 270399853 /nfs/dbraw/zinc/39/98/53/270399853.db2.gz FOBGGRHNOHYECH-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP FC(F)c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000517326715 270403237 /nfs/dbraw/zinc/40/32/37/270403237.db2.gz PVMNVFXYEJNSNC-LBPRGKRZSA-N 2 0 254.324 2.713 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)ccn1 ZINC000527647636 270515767 /nfs/dbraw/zinc/51/57/67/270515767.db2.gz NNBBLZCFMYXWRX-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2(C)CCC2)CC1 ZINC000340288590 287684697 /nfs/dbraw/zinc/68/46/97/287684697.db2.gz OONYYOUUBJWTSL-IAGOWNOFSA-N 2 0 293.499 2.667 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414847246 273966509 /nfs/dbraw/zinc/96/65/09/273966509.db2.gz VTVSOQCEDSZLCU-KBPBESRZSA-N 2 0 285.435 2.779 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000343100698 274022713 /nfs/dbraw/zinc/02/27/13/274022713.db2.gz FQXSXVCBEZJMGG-INIZCTEOSA-N 2 0 296.842 2.885 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423260314 274135828 /nfs/dbraw/zinc/13/58/28/274135828.db2.gz PYCWENBRURLUTE-SUMWQHHRSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC(C)(F)F ZINC000423145425 274237766 /nfs/dbraw/zinc/23/77/66/274237766.db2.gz KRCAGSWNDSQGKC-DGCLKSJQSA-N 2 0 256.340 2.580 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccccc1C(C)(C)C)C1C[NH2+]C1 ZINC000422955167 274247269 /nfs/dbraw/zinc/24/72/69/274247269.db2.gz IVRVOAZHWJHHHL-CYBMUJFWSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422936374 274255029 /nfs/dbraw/zinc/25/50/29/274255029.db2.gz MGBGEZSDEKLFJL-WDEREUQCSA-N 2 0 286.341 2.834 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000423381277 274258237 /nfs/dbraw/zinc/25/82/37/274258237.db2.gz OIJXDDMRFBNMQL-IIAWOOMASA-N 2 0 284.407 2.663 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423019742 274475505 /nfs/dbraw/zinc/47/55/05/274475505.db2.gz WZKZJRJIPKTSNQ-DFBGVHRSSA-N 2 0 282.815 2.887 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)c2cccc(Br)c21 ZINC000335553037 274614822 /nfs/dbraw/zinc/61/48/22/274614822.db2.gz SJQHINCSCZAKIZ-TVQRCGJNSA-N 2 0 295.224 2.806 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271072869 274800699 /nfs/dbraw/zinc/80/06/99/274800699.db2.gz FTMZBZZDOWMQHT-GDBMZVCRSA-N 2 0 288.435 2.590 20 0 CFADRP Fc1cc2cccnc2c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000335683735 274909867 /nfs/dbraw/zinc/90/98/67/274909867.db2.gz SPVGVENCBKACBU-UHFFFAOYSA-N 2 0 299.393 2.949 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423047959 274949218 /nfs/dbraw/zinc/94/92/18/274949218.db2.gz HXCWOPWAUCOEET-LUKYLMHMSA-N 2 0 274.408 2.624 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000423417425 274953211 /nfs/dbraw/zinc/95/32/11/274953211.db2.gz FIRWBOHUSDOTRF-BFYDXBDKSA-N 2 0 288.435 2.735 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000423462715 274956640 /nfs/dbraw/zinc/95/66/40/274956640.db2.gz DWYMDSRYSLTGDR-SUYBPPKGSA-N 2 0 274.408 2.877 20 0 CFADRP c1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000335043049 275064604 /nfs/dbraw/zinc/06/46/04/275064604.db2.gz LUSMYGHTWGPCRI-RDJZCZTQSA-N 2 0 284.359 2.625 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000336833510 275391600 /nfs/dbraw/zinc/39/16/00/275391600.db2.gz OGPBIBXRTFLRHN-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP C1C[C@H]([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)CO1 ZINC000423536750 275737085 /nfs/dbraw/zinc/73/70/85/275737085.db2.gz AUYAXOVXTUWSCT-IYYNEKPFSA-N 2 0 292.467 2.559 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000342697940 275828045 /nfs/dbraw/zinc/82/80/45/275828045.db2.gz LLGWMNDTHLDZPH-JYJNAYRXSA-N 2 0 280.456 2.533 20 0 CFADRP CC1(C)C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423239898 275867635 /nfs/dbraw/zinc/86/76/35/275867635.db2.gz BURHAGYZEBOOHX-BBRMVZONSA-N 2 0 258.409 2.998 20 0 CFADRP CC(C)OCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093514056 275969553 /nfs/dbraw/zinc/96/95/53/275969553.db2.gz COWNZVPQXZYYJX-CABCVRRESA-N 2 0 256.434 2.702 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000464071318 276014096 /nfs/dbraw/zinc/01/40/96/276014096.db2.gz XEDBGNPNEDIWND-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000153402518 276018492 /nfs/dbraw/zinc/01/84/92/276018492.db2.gz GVFKMTPLDWGDJQ-SQNIBIBYSA-N 2 0 295.515 2.815 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826120 276023309 /nfs/dbraw/zinc/02/33/09/276023309.db2.gz IOBYHNWAGFNVJV-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441384142 276027344 /nfs/dbraw/zinc/02/73/44/276027344.db2.gz MXIHPNHRNVAQQA-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])CC(F)(F)F ZINC000402548572 287866766 /nfs/dbraw/zinc/86/67/66/287866766.db2.gz DBUCVUXRCWKKIY-AXFHLTTASA-N 2 0 252.324 2.682 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358930532 276098007 /nfs/dbraw/zinc/09/80/07/276098007.db2.gz IEHNMQQGUQSGMU-GDBMZVCRSA-N 2 0 292.471 2.898 20 0 CFADRP CC1(C)CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000335643566 276102499 /nfs/dbraw/zinc/10/24/99/276102499.db2.gz PTNMWMBROYOMES-UHFFFAOYSA-N 2 0 293.499 2.761 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000248585198 276117219 /nfs/dbraw/zinc/11/72/19/276117219.db2.gz XIHPCANEWVVFCP-UAGQMJEPSA-N 2 0 292.467 2.893 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000453112790 276148954 /nfs/dbraw/zinc/14/89/54/276148954.db2.gz CXPBBQNUKONEOQ-HIFRSBDPSA-N 2 0 276.428 2.601 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000449076019 276199410 /nfs/dbraw/zinc/19/94/10/276199410.db2.gz GGVFKEJYBWXKLP-TVFCKZIOSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000092796367 276201214 /nfs/dbraw/zinc/20/12/14/276201214.db2.gz YEXFRUZYAWHJTJ-KSZLIROESA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3/C=C/CCCCC3)C2)CC1 ZINC000336251024 276201642 /nfs/dbraw/zinc/20/16/42/276201642.db2.gz FKDQSDSTOQHEFC-VZUWTINFSA-N 2 0 291.483 2.587 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000123626828 276217007 /nfs/dbraw/zinc/21/70/07/276217007.db2.gz XUJWUSWDHDDQGO-CRAIPNDOSA-N 3 0 289.467 2.568 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000163292080 276221610 /nfs/dbraw/zinc/22/16/10/276221610.db2.gz DVRWDRQIYLWWIN-RHSMWYFYSA-N 2 0 290.476 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H](C)C1 ZINC000346795626 276229435 /nfs/dbraw/zinc/22/94/35/276229435.db2.gz NDMDWVGEERURRH-IHRRRGAJSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247027275 276283940 /nfs/dbraw/zinc/28/39/40/276283940.db2.gz NIXUZCSVHSUWIG-KKUMJFAQSA-N 2 0 256.434 2.654 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000090457487 276314403 /nfs/dbraw/zinc/31/44/03/276314403.db2.gz CSFAOSOKYZMRBU-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147879 276334823 /nfs/dbraw/zinc/33/48/23/276334823.db2.gz FKRNUJHAKKCIQN-ROUUACIJSA-N 3 0 289.467 2.745 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000422822418 276358092 /nfs/dbraw/zinc/35/80/92/276358092.db2.gz JYFWLVMPPRBYNY-OWCLPIDISA-N 2 0 268.445 2.689 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702618 276399047 /nfs/dbraw/zinc/39/90/47/276399047.db2.gz IXCGTGGENIPQQY-APIJFGDWSA-N 2 0 270.486 2.981 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415011950 276651850 /nfs/dbraw/zinc/65/18/50/276651850.db2.gz RPEIFMCHYOQSRW-DRPJVOAASA-N 2 0 250.430 2.933 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000421380844 276754723 /nfs/dbraw/zinc/75/47/23/276754723.db2.gz WHQDPQHGDOYWOH-UHFFFAOYSA-N 2 0 290.455 2.737 20 0 CFADRP C1C[C@H]([C@H]2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)CO1 ZINC000423536751 276853663 /nfs/dbraw/zinc/85/36/63/276853663.db2.gz AUYAXOVXTUWSCT-ONTMVUMWSA-N 2 0 292.467 2.559 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000335035696 277025532 /nfs/dbraw/zinc/02/55/32/277025532.db2.gz YANVRZUGIROKGV-MRXNPFEDSA-N 2 0 287.451 2.651 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000159074478 277026311 /nfs/dbraw/zinc/02/63/11/277026311.db2.gz OBAUBSDXAHQCTA-INIZCTEOSA-N 2 0 288.435 2.874 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000421825285 277026417 /nfs/dbraw/zinc/02/64/17/277026417.db2.gz MTCWVUSHTLXNDZ-KRWDZBQOSA-N 2 0 287.451 2.651 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000040592264 277031857 /nfs/dbraw/zinc/03/18/57/277031857.db2.gz NFYDGVHXEZKDPD-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C2CC2)C1 ZINC000344152866 277044082 /nfs/dbraw/zinc/04/40/82/277044082.db2.gz XCAIWLUPPCMTDO-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305649948 277060181 /nfs/dbraw/zinc/06/01/81/277060181.db2.gz UAEZKPYAJIXXCG-BZUAXINKSA-N 2 0 292.423 2.652 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423264108 277083345 /nfs/dbraw/zinc/08/33/45/277083345.db2.gz YBOUHDWRQITPNN-ZFWWWQNUSA-N 2 0 289.423 2.685 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000367097860 277151891 /nfs/dbraw/zinc/15/18/91/277151891.db2.gz CPDZMHDOPXYJSV-OAHLLOKOSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000061588689 277152024 /nfs/dbraw/zinc/15/20/24/277152024.db2.gz OBHFKBKDSQAQEU-CYBMUJFWSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000334443299 277152580 /nfs/dbraw/zinc/15/25/80/277152580.db2.gz MDHBMFMIZIXCOC-HNNXBMFYSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@H]2CCC[C@@H]21 ZINC000353645612 277170666 /nfs/dbraw/zinc/17/06/66/277170666.db2.gz PBJXIEFZFPUHRN-ADHGMGHFSA-N 2 0 294.483 2.780 20 0 CFADRP COC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000346442691 277176680 /nfs/dbraw/zinc/17/66/80/277176680.db2.gz GKDRMAVULCXPOS-GDBMZVCRSA-N 2 0 280.456 2.750 20 0 CFADRP COC1(C[NH+]2CCC(CC[NH+](C)C)CC2)CCCCC1 ZINC000483290377 277184174 /nfs/dbraw/zinc/18/41/74/277184174.db2.gz PIKLXVSSGJSYHZ-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000374783079 277223125 /nfs/dbraw/zinc/22/31/25/277223125.db2.gz YRCYUGREYJLBKS-KFWWJZLASA-N 2 0 282.497 2.934 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414753160 277260725 /nfs/dbraw/zinc/26/07/25/277260725.db2.gz DEWGSOSSESWOPC-NJAFHUGGSA-N 2 0 290.451 2.564 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000063158993 277265003 /nfs/dbraw/zinc/26/50/03/277265003.db2.gz TWZFUEVTMGFOFD-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423209109 277268672 /nfs/dbraw/zinc/26/86/72/277268672.db2.gz ZQBKHPVGAWEOLE-ABAIWWIYSA-N 2 0 250.361 2.648 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](CC(C)C)CC3)C[C@H]2C1 ZINC000424273311 277351395 /nfs/dbraw/zinc/35/13/95/277351395.db2.gz WLGWOMRGMHPXES-LVYXFOGZSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860369 277354742 /nfs/dbraw/zinc/35/47/42/277354742.db2.gz FBEJVQCDSFBSAX-GDBMZVCRSA-N 2 0 250.430 2.981 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1C ZINC000422791221 277376150 /nfs/dbraw/zinc/37/61/50/277376150.db2.gz VSVZROWZRBTWBG-JKSUJKDBSA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000337336251 277385969 /nfs/dbraw/zinc/38/59/69/277385969.db2.gz LYEMBDIFDCUINX-AWEZNQCLSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000090586516 277392360 /nfs/dbraw/zinc/39/23/60/277392360.db2.gz GSFHKUPZLYLHKI-VSZNYVQBSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000414109353 277397458 /nfs/dbraw/zinc/39/74/58/277397458.db2.gz UXLAYDFWGDNYQS-ZJIFWQFVSA-N 2 0 252.446 2.989 20 0 CFADRP CSC1(C[NH2+][C@H]2CCOC3(CCC3)C2)CC[NH+](C)CC1 ZINC000449340820 277508100 /nfs/dbraw/zinc/50/81/00/277508100.db2.gz XMGHNOJMAYZEBA-AWEZNQCLSA-N 2 0 298.496 2.505 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093513875 277585264 /nfs/dbraw/zinc/58/52/64/277585264.db2.gz UYPAOWVOCBYEME-WBVHZDCISA-N 2 0 281.488 2.760 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247078 277747516 /nfs/dbraw/zinc/74/75/16/277747516.db2.gz KQXHVFHZZNJASU-SJLPKXTDSA-N 2 0 290.451 2.817 20 0 CFADRP C1CC1[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000423551762 277757673 /nfs/dbraw/zinc/75/76/73/277757673.db2.gz OZNFZRJUCBEHDV-TWMKSMIVSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3CCC3)CC2)C[C@@H](C)O1 ZINC000173623190 277886584 /nfs/dbraw/zinc/88/65/84/277886584.db2.gz GIEAGZHAKKWMBE-HUUCEWRRSA-N 2 0 280.456 2.608 20 0 CFADRP COc1cccc(C[NH2+]CCCCC[NH+]2CCCCC2)n1 ZINC000191028370 278011890 /nfs/dbraw/zinc/01/18/90/278011890.db2.gz NKYIJXRUIGQIBJ-UHFFFAOYSA-N 2 0 291.439 2.836 20 0 CFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000423173742 278037307 /nfs/dbraw/zinc/03/73/07/278037307.db2.gz ZXICLXBKRVWHIL-JEBQAFNWSA-N 2 0 294.398 2.897 20 0 CFADRP CC(C)c1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423174294 278048940 /nfs/dbraw/zinc/04/89/40/278048940.db2.gz ADAMFHVEUVVJRJ-INIZCTEOSA-N 2 0 289.467 2.756 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423254305 278050112 /nfs/dbraw/zinc/05/01/12/278050112.db2.gz ZVORWHSEOIIFKZ-KSZLIROESA-N 2 0 289.467 2.917 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336819263 278050789 /nfs/dbraw/zinc/05/07/89/278050789.db2.gz ZBUGZHHJICSOGX-ZIAGYGMSSA-N 2 0 264.413 2.733 20 0 CFADRP CSC1(C[NH2+][C@H]2CCCC[C@@H]2C)CC[NH+](C)CC1 ZINC000353612949 278126049 /nfs/dbraw/zinc/12/60/49/278126049.db2.gz ULQNJNNSWMQIPO-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000425363988 278146970 /nfs/dbraw/zinc/14/69/70/278146970.db2.gz YGKRYOIXZCDTMD-APIJFGDWSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)C1CCOCC1)[NH+]1CCCCC1 ZINC000346880125 278174074 /nfs/dbraw/zinc/17/40/74/278174074.db2.gz MSOCGXZNRMQQHY-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000356837034 278208669 /nfs/dbraw/zinc/20/86/69/278208669.db2.gz HMFJXIBZOMSZBO-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422867653 278211312 /nfs/dbraw/zinc/21/13/12/278211312.db2.gz SSMJKZWYAHRSCC-DTDBQYNISA-N 2 0 287.451 2.984 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCS1 ZINC000251224661 278216616 /nfs/dbraw/zinc/21/66/16/278216616.db2.gz OYESMMBNTXGHNQ-HZSPNIEDSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423147411 278226750 /nfs/dbraw/zinc/22/67/50/278226750.db2.gz RXQAAXGPKZYUAD-PGUXBMHVSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423430563 278227440 /nfs/dbraw/zinc/22/74/40/278227440.db2.gz LCKBWTONUWVPQM-BLLLJJGKSA-N 2 0 262.397 2.877 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422894274 278227987 /nfs/dbraw/zinc/22/79/87/278227987.db2.gz BXIZBLMIHZECGB-LBPRGKRZSA-N 2 0 250.361 2.574 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000423292980 278232547 /nfs/dbraw/zinc/23/25/47/278232547.db2.gz PFBHKBBMCBVZNM-AYMQEEERSA-N 3 0 275.440 2.525 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423163040 278240570 /nfs/dbraw/zinc/24/05/70/278240570.db2.gz MFYOFNCGUPYOEP-VVLHAWIVSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414884813 278245214 /nfs/dbraw/zinc/24/52/14/278245214.db2.gz WJDXGSYWJBDLHC-QMMMGPOBSA-N 2 0 264.266 2.529 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423295803 278245671 /nfs/dbraw/zinc/24/56/71/278245671.db2.gz FTFNZKZBXAXJFD-BLLLJJGKSA-N 2 0 274.408 2.573 20 0 CFADRP C[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422834007 278254268 /nfs/dbraw/zinc/25/42/68/278254268.db2.gz HHXICIYRAALACF-YOEHRIQHSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCO1 ZINC000346471896 278257250 /nfs/dbraw/zinc/25/72/50/278257250.db2.gz DNUBWQKWFNZVPO-JYJNAYRXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000158692937 278258443 /nfs/dbraw/zinc/25/84/43/278258443.db2.gz AEMLOWCPJZAORI-OAGGEKHMSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCC[C@H]1C ZINC000449303419 278259213 /nfs/dbraw/zinc/25/92/13/278259213.db2.gz MCIDVDSIUUVDIP-IXDOHACOSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H](C)C1CCCCC1 ZINC000423526903 278265330 /nfs/dbraw/zinc/26/53/30/278265330.db2.gz VGYPPPSZJNODJW-IJEWVQPXSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)CC1CCCCC1 ZINC000415040467 278283275 /nfs/dbraw/zinc/28/32/75/278283275.db2.gz OKFSLUYWKWPUEA-GDBMZVCRSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000261910666 278330647 /nfs/dbraw/zinc/33/06/47/278330647.db2.gz ZRMHMELDCUXUOO-LBPRGKRZSA-N 2 0 278.362 2.896 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(O)CCCC2)C1 ZINC000336840846 278333162 /nfs/dbraw/zinc/33/31/62/278333162.db2.gz NNCQLURMBLNPLA-DLBZAZTESA-N 2 0 294.483 2.878 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423299454 278341885 /nfs/dbraw/zinc/34/18/85/278341885.db2.gz BSWGHQPARLOHLC-SECBINFHSA-N 2 0 258.287 2.575 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000414068083 278343568 /nfs/dbraw/zinc/34/35/68/278343568.db2.gz JMQATSQQKDIGRO-LSDHHAIUSA-N 2 0 278.444 2.583 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@H]1CCOC1 ZINC000131218837 288035133 /nfs/dbraw/zinc/03/51/33/288035133.db2.gz MQGINPAGXSXGNP-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000037649200 278354639 /nfs/dbraw/zinc/35/46/39/278354639.db2.gz WPCFEEJOHDVLPI-CHWSQXEVSA-N 2 0 262.372 2.961 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422792535 278364217 /nfs/dbraw/zinc/36/42/17/278364217.db2.gz ZLAINOMCULIUIQ-VHSXEESVSA-N 2 0 283.213 2.708 20 0 CFADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000414734834 278369713 /nfs/dbraw/zinc/36/97/13/278369713.db2.gz LGTLNSXXDQLTKU-HNNXBMFYSA-N 2 0 295.858 2.674 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422877669 288038952 /nfs/dbraw/zinc/03/89/52/288038952.db2.gz IAPNSBFSRRZCTJ-XSLAGTTESA-N 3 0 295.515 2.865 20 0 CFADRP C[C@H]1CC[C@]2(CC[N@H+](CCC[NH+]3CCCC3)C2)C1 ZINC000364672331 278385551 /nfs/dbraw/zinc/38/55/51/278385551.db2.gz DBMZGEFTCMUZIR-HOTGVXAUSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423021464 278518528 /nfs/dbraw/zinc/51/85/28/278518528.db2.gz FEQHQNDAYZGFNK-BARDWOONSA-N 2 0 268.445 2.830 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449059601 278540478 /nfs/dbraw/zinc/54/04/78/278540478.db2.gz BYFNAKGNZQKGRH-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000332324697 278554657 /nfs/dbraw/zinc/55/46/57/278554657.db2.gz LCQCGIAYJAERCO-OAGGEKHMSA-N 2 0 268.445 2.567 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157284385 278805070 /nfs/dbraw/zinc/80/50/70/278805070.db2.gz LHEITCMRGLRZCC-IAGOWNOFSA-N 2 0 273.424 2.595 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000423504328 278872028 /nfs/dbraw/zinc/87/20/28/278872028.db2.gz FVPUDOVQBZOLOZ-JKSUJKDBSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCCO2 ZINC000423387731 278891411 /nfs/dbraw/zinc/89/14/11/278891411.db2.gz IAUHWPGYEYVHGZ-FVQBIDKESA-N 2 0 274.408 2.796 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093451391 278922413 /nfs/dbraw/zinc/92/24/13/278922413.db2.gz BGISGGYGONRUKB-OAGGEKHMSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423049876 279059852 /nfs/dbraw/zinc/05/98/52/279059852.db2.gz YHHDNVGTXBDEBP-JJXSEGSLSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000423049834 279059992 /nfs/dbraw/zinc/05/99/92/279059992.db2.gz XYGFNJBYTDCBLL-FPCVCCKLSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1nc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000226326176 279082227 /nfs/dbraw/zinc/08/22/27/279082227.db2.gz GSFPPBAGGGABHV-OCCSQVGLSA-N 2 0 281.469 2.894 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000247355652 288103637 /nfs/dbraw/zinc/10/36/37/288103637.db2.gz YKKJEUKSPBMGRG-IWYLKNBMSA-N 2 0 284.447 2.891 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192437408 279101718 /nfs/dbraw/zinc/10/17/18/279101718.db2.gz PTWWGEFOQXWKGC-FHERZECASA-N 2 0 298.471 2.818 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423545943 279119827 /nfs/dbraw/zinc/11/98/27/279119827.db2.gz PPRUBXQGZCRFJD-RMRHIDDWSA-N 2 0 291.464 2.807 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127328910 288107283 /nfs/dbraw/zinc/10/72/83/288107283.db2.gz QNUCYMDFJKOKHM-KLHDSHLOSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)C[C@H](C[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000415144233 279142920 /nfs/dbraw/zinc/14/29/20/279142920.db2.gz UFQOFRJHDGDHLB-QGZVFWFLSA-N 2 0 290.451 2.602 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414274239 288101348 /nfs/dbraw/zinc/10/13/48/288101348.db2.gz RLADRFVFWTXWIF-IPYPFGDCSA-N 2 0 268.445 2.510 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422731074 279165252 /nfs/dbraw/zinc/16/52/52/279165252.db2.gz KTRGUSSWJQNXBO-BFYDXBDKSA-N 2 0 277.456 2.785 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000414728163 279179961 /nfs/dbraw/zinc/17/99/61/279179961.db2.gz BUGZOZSIGWLHNK-XJKSGUPXSA-N 2 0 295.858 2.660 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(C)c1 ZINC000422765775 279206345 /nfs/dbraw/zinc/20/63/45/279206345.db2.gz LDVIEWAUSYUJRS-NVXWUHKLSA-N 2 0 275.440 2.538 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449174570 279257243 /nfs/dbraw/zinc/25/72/43/279257243.db2.gz ZCLNQBWNROBURC-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367600411 279257267 /nfs/dbraw/zinc/25/72/67/279257267.db2.gz JJNJGCPGFFNWSL-KSZLIROESA-N 3 0 293.499 2.571 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423295805 279289701 /nfs/dbraw/zinc/28/97/01/279289701.db2.gz FTFNZKZBXAXJFD-MLGOLLRUSA-N 2 0 274.408 2.573 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423309778 279289760 /nfs/dbraw/zinc/28/97/60/279289760.db2.gz QRGLOCIGJJRNGW-NOZJJQNGSA-N 2 0 283.213 2.621 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)C[NH+](C)C ZINC000314084802 279348332 /nfs/dbraw/zinc/34/83/32/279348332.db2.gz YTLTYMQEBRPHDA-KGLIPLIRSA-N 2 0 292.423 2.696 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000449129364 279351488 /nfs/dbraw/zinc/35/14/88/279351488.db2.gz BUMRDTQLQICPKU-XMTFNYHQSA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189111559 279359757 /nfs/dbraw/zinc/35/97/57/279359757.db2.gz MZNYXAUPTPWXOP-DLBZAZTESA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000093515520 279366971 /nfs/dbraw/zinc/36/69/71/279366971.db2.gz WPLLASUCHGRDPD-ZBFHGGJFSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000415074751 279367800 /nfs/dbraw/zinc/36/78/00/279367800.db2.gz ASPDTAMWFSYUAX-IKGGRYGDSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423043761 279370447 /nfs/dbraw/zinc/37/04/47/279370447.db2.gz PWJYXBOQEQXWAZ-LSDHHAIUSA-N 2 0 275.440 2.892 20 0 CFADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422754805 279379805 /nfs/dbraw/zinc/37/98/05/279379805.db2.gz GEVSECWSDBVNCV-GHMZBOCLSA-N 2 0 297.240 2.578 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000493868906 279398259 /nfs/dbraw/zinc/39/82/59/279398259.db2.gz ATZAUTYQUSWJTQ-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423501084 288133004 /nfs/dbraw/zinc/13/30/04/288133004.db2.gz KXFGWHQPUAMOOX-FHLIZLRMSA-N 2 0 287.451 2.539 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000347012402 279498409 /nfs/dbraw/zinc/49/84/09/279498409.db2.gz HODXRWWQICHCKE-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414958501 279516024 /nfs/dbraw/zinc/51/60/24/279516024.db2.gz OYFVBTCFFSPASA-BFYDXBDKSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000423051557 279695661 /nfs/dbraw/zinc/69/56/61/279695661.db2.gz OKVHZOOKEPILLB-MGPQQGTHSA-N 2 0 256.434 2.686 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000423051555 279699538 /nfs/dbraw/zinc/69/95/38/279699538.db2.gz OKVHZOOKEPILLB-HZSPNIEDSA-N 2 0 256.434 2.686 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000353392655 280020552 /nfs/dbraw/zinc/02/05/52/280020552.db2.gz GYXWCPFGODUOLR-GRAKBVBRSA-N 2 0 268.445 2.652 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422819708 280051212 /nfs/dbraw/zinc/05/12/12/280051212.db2.gz NPIJVPRYPIGNDE-XJFOESAGSA-N 2 0 256.459 2.781 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178976753 280052211 /nfs/dbraw/zinc/05/22/11/280052211.db2.gz IOFFRGNIMCZIFP-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422925121 280083305 /nfs/dbraw/zinc/08/33/05/280083305.db2.gz ZSOSXEQQSHZTPC-QXSJWSMHSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000430561688 280107105 /nfs/dbraw/zinc/10/71/05/280107105.db2.gz NSSFIPGYYZCOIV-QLFBSQMISA-N 2 0 256.434 2.545 20 0 CFADRP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358721589 280128091 /nfs/dbraw/zinc/12/80/91/280128091.db2.gz XHZLVURYUUWRPF-CZUORRHYSA-N 2 0 270.461 2.636 20 0 CFADRP CC[C@@H](C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000419220879 280139570 /nfs/dbraw/zinc/13/95/70/280139570.db2.gz ADEWEDKKADVWCZ-KRWDZBQOSA-N 2 0 291.439 2.655 20 0 CFADRP CC[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000412979369 280140430 /nfs/dbraw/zinc/14/04/30/280140430.db2.gz UJJRIYWKMVFSPR-IRXDYDNUSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CCC[NH2+]C1 ZINC000423337499 280159123 /nfs/dbraw/zinc/15/91/23/280159123.db2.gz KFDUEUYKOZIGNI-HOTGVXAUSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178974148 280261194 /nfs/dbraw/zinc/26/11/94/280261194.db2.gz BAEKQVVUXAWJKA-SFHVURJKSA-N 2 0 290.451 2.505 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000423159669 280261707 /nfs/dbraw/zinc/26/17/07/280261707.db2.gz PQBXHDGJNCKWNL-KFWWJZLASA-N 2 0 256.434 2.546 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371604378 280273580 /nfs/dbraw/zinc/27/35/80/280273580.db2.gz DEVSFEOZKOAGSQ-JFIYKMOQSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349105 280327435 /nfs/dbraw/zinc/32/74/35/280327435.db2.gz VDBWUDIYNSUECJ-JKSUJKDBSA-N 2 0 261.413 2.758 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000423541084 280560583 /nfs/dbraw/zinc/56/05/83/280560583.db2.gz FDHVUQDOEAKYIY-CAOSSQGBSA-N 2 0 268.445 2.844 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423239363 280623118 /nfs/dbraw/zinc/62/31/18/280623118.db2.gz JWWRTTXBSVSMRO-UJJTZGENSA-N 2 0 287.451 2.682 20 0 CFADRP CCCC[C@H](COC)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000121756271 280623236 /nfs/dbraw/zinc/62/32/36/280623236.db2.gz ZJZYPRUYNXMPSD-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000126401666 280652676 /nfs/dbraw/zinc/65/26/76/280652676.db2.gz KSFXLODXIFZWNN-LBPRGKRZSA-N 2 0 250.386 2.834 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000136054333 280780070 /nfs/dbraw/zinc/78/00/70/280780070.db2.gz PFKHWTXSHCTBSD-UHFFFAOYSA-N 2 0 272.314 2.535 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)nc1 ZINC000423161245 280808106 /nfs/dbraw/zinc/80/81/06/280808106.db2.gz ILQOIPZQLBHUTP-WBVHZDCISA-N 2 0 275.440 2.833 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000186573852 280849214 /nfs/dbraw/zinc/84/92/14/280849214.db2.gz YDIYJUYRBOHMBA-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000221942196 280934430 /nfs/dbraw/zinc/93/44/30/280934430.db2.gz ZYWWIFKXDAMPIS-UHFFFAOYSA-N 2 0 250.430 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246961617 281001595 /nfs/dbraw/zinc/00/15/95/281001595.db2.gz IOXUGYIRQSXNPK-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000247007866 281002703 /nfs/dbraw/zinc/00/27/03/281002703.db2.gz KEFWFCZYDCKQKA-DZKIICNBSA-N 2 0 294.414 2.913 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247019030 281003633 /nfs/dbraw/zinc/00/36/33/281003633.db2.gz MANQHZINJVWYKF-HOTGVXAUSA-N 2 0 298.471 2.772 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247153094 281006539 /nfs/dbraw/zinc/00/65/39/281006539.db2.gz SZCKTSOTXXLWSD-BRSBDYLESA-N 3 0 295.515 2.817 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247254631 281008244 /nfs/dbraw/zinc/00/82/44/281008244.db2.gz ZYASOGWEZSRXQH-HDMKZQKVSA-N 2 0 290.451 2.946 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000248066652 281017579 /nfs/dbraw/zinc/01/75/79/281017579.db2.gz ZSONYYAJNPFZCL-DOTOQJQBSA-N 2 0 290.451 2.866 20 0 CFADRP CCCCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000248064171 281017876 /nfs/dbraw/zinc/01/78/76/281017876.db2.gz ZFPOJOGBUGDNFC-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000248660355 281030416 /nfs/dbraw/zinc/03/04/16/281030416.db2.gz VXRQCUXADYUBGU-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CC3 ZINC000414948729 281035364 /nfs/dbraw/zinc/03/53/64/281035364.db2.gz YWTMAZWCXHYDKM-JJRVBVJISA-N 2 0 297.446 2.921 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000248831325 281036839 /nfs/dbraw/zinc/03/68/39/281036839.db2.gz HMETXVCNPAFSIX-USXIJHARSA-N 2 0 276.424 2.837 20 0 CFADRP COC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000249201985 281051908 /nfs/dbraw/zinc/05/19/08/281051908.db2.gz UENWCSJPPPBFQL-DLBZAZTESA-N 2 0 282.472 2.713 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250575472 281070177 /nfs/dbraw/zinc/07/01/77/281070177.db2.gz FJGRWSHIOAFEAH-LRDDRELGSA-N 2 0 262.372 2.744 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000251401227 281071753 /nfs/dbraw/zinc/07/17/53/281071753.db2.gz LYSPPOHMYZKDIO-XMTFNYHQSA-N 2 0 295.515 2.863 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000252439426 281076212 /nfs/dbraw/zinc/07/62/12/281076212.db2.gz OMIQCPSRXMBZTO-HUUCEWRRSA-N 2 0 276.424 2.996 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H](C)C2 ZINC000423507459 281124044 /nfs/dbraw/zinc/12/40/44/281124044.db2.gz MTYJIRIAQJKQSP-IARIHHJXSA-N 2 0 258.409 2.945 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000294908897 281140437 /nfs/dbraw/zinc/14/04/37/281140437.db2.gz GBKYPGBJYGJEHI-OCCSQVGLSA-N 2 0 296.842 2.963 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCC1 ZINC000357886898 281180951 /nfs/dbraw/zinc/18/09/51/281180951.db2.gz WRIFLYWFBNKNJR-OAGGEKHMSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000396964037 281199337 /nfs/dbraw/zinc/19/93/37/281199337.db2.gz JOAGNWCDRHQQED-AXFHLTTASA-N 2 0 252.324 2.505 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422929981 281222477 /nfs/dbraw/zinc/22/24/77/281222477.db2.gz APIJDBPSCDHNNM-FUHWJXTLSA-N 2 0 298.430 2.922 20 0 CFADRP CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000422930493 281222480 /nfs/dbraw/zinc/22/24/80/281222480.db2.gz UQZLAIPPOTYXRB-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422929823 281222557 /nfs/dbraw/zinc/22/25/57/281222557.db2.gz AEGOYDJTRXPLSV-JSGCOSHPSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423010714 281223184 /nfs/dbraw/zinc/22/31/84/281223184.db2.gz HGHJBGMVFXSQFU-CHWSQXEVSA-N 2 0 288.395 2.557 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424371594 281227634 /nfs/dbraw/zinc/22/76/34/281227634.db2.gz DOOQQIPPKLMRNJ-CVEARBPZSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261389 281272548 /nfs/dbraw/zinc/27/25/48/281272548.db2.gz SCVLBMQJSGKHOH-RHSMWYFYSA-N 2 0 258.409 2.962 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@@H](C)O)C2)s1 ZINC000514942380 281288910 /nfs/dbraw/zinc/28/89/10/281288910.db2.gz YKCBZENZWVQKIX-HIFRSBDPSA-N 2 0 296.480 2.581 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000515843971 281298244 /nfs/dbraw/zinc/29/82/44/281298244.db2.gz HGIISIQIXZGYSQ-ZDUSSCGKSA-N 2 0 284.350 2.501 20 0 CFADRP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000516082915 281299681 /nfs/dbraw/zinc/29/96/81/281299681.db2.gz HTIGWMKBMZEDQE-AWEZNQCLSA-N 2 0 296.418 2.782 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H](C)[C@@H]1OC ZINC000516450477 281303486 /nfs/dbraw/zinc/30/34/86/281303486.db2.gz UZKFOTFHGGZKPH-QCODTGAPSA-N 2 0 282.472 2.804 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000516423674 281303547 /nfs/dbraw/zinc/30/35/47/281303547.db2.gz LPZQLZRVTCXBPK-MHORFTMASA-N 2 0 287.451 2.587 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000520197383 281309556 /nfs/dbraw/zinc/30/95/56/281309556.db2.gz MOVPTZQSLFODGJ-HUUCEWRRSA-N 2 0 288.435 2.832 20 0 CFADRP CC1(C)C[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423022369 281331820 /nfs/dbraw/zinc/33/18/20/281331820.db2.gz FCFWZUWUIUAJOM-KMFMINBZSA-N 2 0 272.392 2.630 20 0 CFADRP C[C@@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000527524478 281334004 /nfs/dbraw/zinc/33/40/04/281334004.db2.gz WNDYWWYUGUAGPO-CQSZACIVSA-N 2 0 288.439 2.824 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527719242 281344537 /nfs/dbraw/zinc/34/45/37/281344537.db2.gz JWFXOSVQKURHAM-XRGAULLZSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423385178 288322952 /nfs/dbraw/zinc/32/29/52/288322952.db2.gz GLECEJIWSCCLKZ-FZCLSBEQSA-N 2 0 288.435 2.742 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C2CCC1CC2 ZINC000543393299 281645672 /nfs/dbraw/zinc/64/56/72/281645672.db2.gz GLOGMZGFGRAQAV-UHFFFAOYSA-N 2 0 268.364 2.703 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000549524268 281817064 /nfs/dbraw/zinc/81/70/64/281817064.db2.gz JGHPIPZDECKPMX-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)C(C[NH2+]CCN1CCC([NH+](C)C)CC1)C(C)C ZINC000551239808 281833390 /nfs/dbraw/zinc/83/33/90/281833390.db2.gz PIIIMRCVSQRMQK-UHFFFAOYSA-N 2 0 283.504 2.530 20 0 CFADRP C1CC2(CCOCC2)[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000554558325 281897526 /nfs/dbraw/zinc/89/75/26/281897526.db2.gz LHCXNXNPDIMNTN-UYSNPLJNSA-N 2 0 278.440 2.552 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000559792110 282009563 /nfs/dbraw/zinc/00/95/63/282009563.db2.gz CMBCZLOHDOTAHV-MRXNPFEDSA-N 2 0 284.488 2.837 20 0 CFADRP C(CC[NH2+][C@@H]1CCC12CCOCC2)CC[NH+]1CCCC1 ZINC000559891734 282011541 /nfs/dbraw/zinc/01/15/41/282011541.db2.gz SSOHMVDOCRUVSY-MRXNPFEDSA-N 2 0 280.456 2.801 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000560495539 282030950 /nfs/dbraw/zinc/03/09/50/282030950.db2.gz VTOWUKSHDGQRJZ-CTGSTSKSSA-N 2 0 280.362 2.909 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453402984 282032256 /nfs/dbraw/zinc/03/22/56/282032256.db2.gz GIGLSGPMTKJEQF-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CC1Cc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000562205612 282068325 /nfs/dbraw/zinc/06/83/25/282068325.db2.gz KJQMWANQNROKMK-DFNIBXOVSA-N 2 0 284.447 2.958 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131686537 533691956 /nfs/dbraw/zinc/69/19/56/533691956.db2.gz MJAPZFGMCPTSLS-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000368527489 288478526 /nfs/dbraw/zinc/47/85/26/288478526.db2.gz LLCYMRLNGMJPCZ-BRWVUGGUSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045663895 289111184 /nfs/dbraw/zinc/11/11/84/289111184.db2.gz LRTKHAUMQGOTOC-UHFFFAOYSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@]1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCC[NH2+]C1 ZINC000423345975 289175133 /nfs/dbraw/zinc/17/51/33/289175133.db2.gz PIFPBOREOHUGQG-DLBZAZTESA-N 2 0 273.424 2.902 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(C)(C)C ZINC000374420902 289332125 /nfs/dbraw/zinc/33/21/25/289332125.db2.gz MQDKXWLUNNHJMQ-QLFBSQMISA-N 2 0 268.445 2.606 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1=CCCCC1 ZINC000450598260 289332299 /nfs/dbraw/zinc/33/22/99/289332299.db2.gz JJLLXZMFUCUFQB-IXDOHACOSA-N 2 0 278.440 2.670 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422706095 289365871 /nfs/dbraw/zinc/36/58/71/289365871.db2.gz DISYGIWRWHNXGO-YESZJQIVSA-N 2 0 293.430 2.678 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCSC(C)(C)C)CC1 ZINC000367251026 289373397 /nfs/dbraw/zinc/37/33/97/289373397.db2.gz BWNJKZJVYNRWHX-ZDUSSCGKSA-N 2 0 258.475 2.934 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CF)CCOCC1 ZINC000423156319 289735167 /nfs/dbraw/zinc/73/51/67/289735167.db2.gz SASIULFJCDUBKS-HUUCEWRRSA-N 2 0 286.435 2.653 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422751175 289773250 /nfs/dbraw/zinc/77/32/50/289773250.db2.gz FJMZKLMEODPMJL-HOTGVXAUSA-N 2 0 281.488 2.891 20 0 CFADRP CC1CC[NH+](CCN2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000153478515 289869279 /nfs/dbraw/zinc/86/92/79/289869279.db2.gz LLDFHTXMUYRTCW-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP CC[NH+](CC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000156932250 289946647 /nfs/dbraw/zinc/94/66/47/289946647.db2.gz DUTRCESSZJEOOZ-UHFFFAOYSA-N 2 0 275.440 2.670 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275617424 290005536 /nfs/dbraw/zinc/00/55/36/290005536.db2.gz RSAXNLWLVZKQJZ-MSOLQXFVSA-N 2 0 290.451 2.881 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000305154017 290008334 /nfs/dbraw/zinc/00/83/34/290008334.db2.gz PNDSPXIHCBGZQF-RLNQZENFSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000305766848 290009550 /nfs/dbraw/zinc/00/95/50/290009550.db2.gz GZMMICWUXQVSJB-KSZLIROESA-N 2 0 294.483 2.779 20 0 CFADRP CCn1ccnc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309789671 290014619 /nfs/dbraw/zinc/01/46/19/290014619.db2.gz HIXMIYBHPKMREH-QGZVFWFLSA-N 2 0 298.434 2.515 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000183186086 290015701 /nfs/dbraw/zinc/01/57/01/290015701.db2.gz INLKTFDYJJYCJI-MWDXBVQZSA-N 2 0 293.499 2.712 20 0 CFADRP CS[C@@H]1CC[N@H+](CC[C@@H](C)[NH+]2CC[C@H](SC)C2)C1 ZINC000562548224 290054250 /nfs/dbraw/zinc/05/42/50/290054250.db2.gz OWOQGBVLGZDBGM-MCIONIFRSA-N 2 0 288.526 2.640 20 0 CFADRP COC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1CCCC1 ZINC000562577874 290057054 /nfs/dbraw/zinc/05/70/54/290057054.db2.gz PORKNAYNILQIHJ-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP COc1cc(F)cc(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000562667195 290064811 /nfs/dbraw/zinc/06/48/11/290064811.db2.gz QSQRKDXIAKDQAH-UHFFFAOYSA-N 2 0 289.354 2.657 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000562956144 290085289 /nfs/dbraw/zinc/08/52/89/290085289.db2.gz IZHXWQDUQXZKDV-PBHICJAKSA-N 2 0 294.414 2.883 20 0 CFADRP C[NH+](C)Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000563116621 290105111 /nfs/dbraw/zinc/10/51/11/290105111.db2.gz KHHFFBWMZULYNH-UHFFFAOYSA-N 2 0 295.386 2.604 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCC2 ZINC000563154129 290109619 /nfs/dbraw/zinc/10/96/19/290109619.db2.gz JYOYYWVZSBAKGD-HOTGVXAUSA-N 2 0 274.408 2.583 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000563363424 290138678 /nfs/dbraw/zinc/13/86/78/290138678.db2.gz KOTDPRGRXKVBLO-SJORKVTESA-N 2 0 273.424 2.745 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cc(N)ccc2O1 ZINC000563423209 290148629 /nfs/dbraw/zinc/14/86/29/290148629.db2.gz DYAYEWVJJQMFQQ-WHOFXGATSA-N 2 0 289.423 2.731 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000563427526 290150006 /nfs/dbraw/zinc/15/00/06/290150006.db2.gz LKJPUYJSOCOHRB-CHWSQXEVSA-N 2 0 252.427 2.658 20 0 CFADRP CC(C)[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000563435836 290150927 /nfs/dbraw/zinc/15/09/27/290150927.db2.gz QVWTXUMQFDISSG-LSDHHAIUSA-N 2 0 261.413 2.680 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@@H](C)C1 ZINC000563444939 290152906 /nfs/dbraw/zinc/15/29/06/290152906.db2.gz TXIUKLPBORIWLR-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000563519264 290157101 /nfs/dbraw/zinc/15/71/01/290157101.db2.gz FEMXNXQJCUSNNA-WCQYABFASA-N 2 0 254.324 2.841 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000564074215 290191172 /nfs/dbraw/zinc/19/11/72/290191172.db2.gz FCWOTTIHPVFHBX-NSHDSACASA-N 2 0 272.339 2.938 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000564326939 290203696 /nfs/dbraw/zinc/20/36/96/290203696.db2.gz WUZOZVYPHUIQFE-MSOLQXFVSA-N 2 0 287.451 2.739 20 0 CFADRP Cc1ncc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)n1C ZINC000564668176 290223277 /nfs/dbraw/zinc/22/32/77/290223277.db2.gz QJGZVCCYBJUHOM-UHFFFAOYSA-N 2 0 299.296 2.759 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)[C@H]1CCC[NH2+]C1 ZINC000564822771 290236363 /nfs/dbraw/zinc/23/63/63/290236363.db2.gz MGZJHXRTCCQSFG-SCRDCRAPSA-N 2 0 272.396 2.602 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000564822586 290236536 /nfs/dbraw/zinc/23/65/36/290236536.db2.gz QKQOPOOSLUEZNH-QGZVFWFLSA-N 2 0 258.409 2.962 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000564824772 290237348 /nfs/dbraw/zinc/23/73/48/290237348.db2.gz YQVZZQWYTQEHJK-ZWKOTPCHSA-N 2 0 281.403 2.966 20 0 CFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)CC1CCCC1 ZINC000564849187 290239974 /nfs/dbraw/zinc/23/99/74/290239974.db2.gz JJNFMXRXEZRRFR-SFHVURJKSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104132760 290248761 /nfs/dbraw/zinc/24/87/61/290248761.db2.gz PIXIAVJIHKYOPN-NWDGAFQWSA-N 2 0 250.361 2.946 20 0 CFADRP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000564973653 290254221 /nfs/dbraw/zinc/25/42/21/290254221.db2.gz NNHQAZNYNTWSFY-UONOGXRCSA-N 2 0 291.464 2.842 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986633 290255342 /nfs/dbraw/zinc/25/53/42/290255342.db2.gz BFVWDNZVXLJLOA-MRXNPFEDSA-N 2 0 276.449 2.984 20 0 CFADRP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)n1ccnc1 ZINC000565064111 290263986 /nfs/dbraw/zinc/26/39/86/290263986.db2.gz CEBKAJQFJALWKL-CYBMUJFWSA-N 2 0 286.379 2.535 20 0 CFADRP C[C@H](c1cccnc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000372562758 290269751 /nfs/dbraw/zinc/26/97/51/290269751.db2.gz FVHMOQOCOZDIAZ-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC000565227220 290285686 /nfs/dbraw/zinc/28/56/86/290285686.db2.gz WJODPAAGSIUXOT-LSDHHAIUSA-N 2 0 289.423 2.763 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000565357447 290296530 /nfs/dbraw/zinc/29/65/30/290296530.db2.gz XYAPAPZOXIPGHJ-ZIAGYGMSSA-N 2 0 262.397 2.654 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000565357456 290296598 /nfs/dbraw/zinc/29/65/98/290296598.db2.gz YVLQZNWSJOBDHD-CZUORRHYSA-N 2 0 274.408 2.755 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000565481430 290304180 /nfs/dbraw/zinc/30/41/80/290304180.db2.gz VFHMBVTWYXQUDH-HUUCEWRRSA-N 2 0 299.418 2.876 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000565526899 290307105 /nfs/dbraw/zinc/30/71/05/290307105.db2.gz FBFUKSNQIHUUNP-LSDHHAIUSA-N 2 0 264.438 2.788 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000565814325 290326947 /nfs/dbraw/zinc/32/69/47/290326947.db2.gz KQMUVMYFCTVAIK-AGGWBTHJSA-N 2 0 266.429 2.549 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)C1 ZINC000566020015 290341917 /nfs/dbraw/zinc/34/19/17/290341917.db2.gz ABBKARLXYCGWJA-ILXRZTDVSA-N 2 0 291.414 2.654 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000566091313 290347589 /nfs/dbraw/zinc/34/75/89/290347589.db2.gz WLQJVAZXWULRRJ-ZBFHGGJFSA-N 2 0 289.423 2.620 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000566475961 290392012 /nfs/dbraw/zinc/39/20/12/290392012.db2.gz RLDKCMQADJSERF-DFULUXCASA-N 2 0 273.424 2.790 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](NCc2c(F)cccc2OC(F)F)C1 ZINC000566482380 290393407 /nfs/dbraw/zinc/39/34/07/290393407.db2.gz NGGIUXQPLVOUBE-VHSXEESVSA-N 2 0 288.313 2.787 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c[nH]c2c1 ZINC000566629454 290406479 /nfs/dbraw/zinc/40/64/79/290406479.db2.gz GNOIBGJPYIXAPH-LSDHHAIUSA-N 2 0 271.408 2.878 20 0 CFADRP [NH3+]C1(CNC2CC[NH+](CC3CC3)CC2)CCCCCC1 ZINC000567141935 290442177 /nfs/dbraw/zinc/44/21/77/290442177.db2.gz ISEYDGVHDSIOMH-UHFFFAOYSA-N 2 0 279.472 2.502 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000567298063 290453675 /nfs/dbraw/zinc/45/36/75/290453675.db2.gz FPNJSJFWDBAJGJ-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000567638998 290480185 /nfs/dbraw/zinc/48/01/85/290480185.db2.gz GWVRIDZXSOYBMJ-KBPBESRZSA-N 2 0 276.424 2.776 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642539 290480940 /nfs/dbraw/zinc/48/09/40/290480940.db2.gz SHUDPPVQMMCAMT-SWLSCSKDSA-N 2 0 283.847 2.660 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccncc1 ZINC000567844757 290498962 /nfs/dbraw/zinc/49/89/62/290498962.db2.gz JDWPSAVQNKUKFJ-MRXNPFEDSA-N 2 0 261.413 2.854 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423136170 293095870 /nfs/dbraw/zinc/09/58/70/293095870.db2.gz USCZNBGETPBZFB-STQMWFEESA-N 2 0 278.387 2.546 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423480523 293431682 /nfs/dbraw/zinc/43/16/82/293431682.db2.gz NJYCOGNDQPWTAO-OLZOCXBDSA-N 2 0 279.453 2.951 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)n1 ZINC000421876306 293603271 /nfs/dbraw/zinc/60/32/71/293603271.db2.gz KNOQIISGQZQDQC-LRVUVFPRSA-N 2 0 276.428 2.617 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000128640699 294332986 /nfs/dbraw/zinc/33/29/86/294332986.db2.gz OALYXOOELJFMTP-LSDHHAIUSA-N 2 0 264.413 2.522 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000333332528 295007915 /nfs/dbraw/zinc/00/79/15/295007915.db2.gz WMGBELUVMSNPHE-SOUVJXGZSA-N 2 0 293.455 2.982 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000335166688 295035418 /nfs/dbraw/zinc/03/54/18/295035418.db2.gz BSZZWFVUWQVXIR-QOZQQMKHSA-N 2 0 278.371 2.681 20 0 CFADRP COc1ccc(C[N@H+](C[C@@]2(C)CC[NH2+]C2)C2CC2)cc1 ZINC000261947339 295127347 /nfs/dbraw/zinc/12/73/47/295127347.db2.gz FNFMTGDFIKMLQE-KRWDZBQOSA-N 2 0 274.408 2.659 20 0 CFADRP COc1ccc([C@@H](C)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347032494 295204360 /nfs/dbraw/zinc/20/43/60/295204360.db2.gz BMROYPKLWRNKNV-KBPBESRZSA-N 2 0 276.424 2.858 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423334125 295207859 /nfs/dbraw/zinc/20/78/59/295207859.db2.gz QNKMBQNPTLQDNP-DYVFJYSZSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000401108359 295238026 /nfs/dbraw/zinc/23/80/26/295238026.db2.gz FZFADSKQRUCRSM-PMOUVXMZSA-N 2 0 292.398 2.873 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423049429 295257289 /nfs/dbraw/zinc/25/72/89/295257289.db2.gz XNMNXKFUXCPQEG-DOTOQJQBSA-N 2 0 287.451 2.894 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000227076450 295257498 /nfs/dbraw/zinc/25/74/98/295257498.db2.gz WJXHEJKDCCUDRJ-CYZMBNFOSA-N 2 0 250.411 2.843 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000423494364 295259471 /nfs/dbraw/zinc/25/94/71/295259471.db2.gz RXSUNWOFSPJRRK-INWMFGNUSA-N 2 0 276.449 2.734 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422706058 295267431 /nfs/dbraw/zinc/26/74/31/295267431.db2.gz SVFCDNAQTMXZIL-KGLIPLIRSA-N 2 0 286.423 2.603 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423095956 295273585 /nfs/dbraw/zinc/27/35/85/295273585.db2.gz GOFJHTQVAKWFPT-IAGOWNOFSA-N 2 0 293.499 2.750 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334848816 295304798 /nfs/dbraw/zinc/30/47/98/295304798.db2.gz KXUQJFHYAOIWKS-HUUCEWRRSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334847438 295338758 /nfs/dbraw/zinc/33/87/58/295338758.db2.gz MRGDWTDEBDVHBM-ZFWWWQNUSA-N 2 0 266.429 2.585 20 0 CFADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000335043071 295343169 /nfs/dbraw/zinc/34/31/69/295343169.db2.gz MLHQOQPLVFMDLL-ROUUACIJSA-N 2 0 285.435 2.738 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000234902744 295364913 /nfs/dbraw/zinc/36/49/13/295364913.db2.gz IGLHBQBMJLJZEC-HRCADAONSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222049559 298335968 /nfs/dbraw/zinc/33/59/68/298335968.db2.gz HIJMTCDSORABGE-OUAUKWLOSA-N 2 0 250.308 2.544 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903947 298378701 /nfs/dbraw/zinc/37/87/01/298378701.db2.gz JDLVOYPKLDIPHV-GHMZBOCLSA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414810611 298379252 /nfs/dbraw/zinc/37/92/52/298379252.db2.gz VKAURDWNKORQBU-VWYCJHECSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422735302 298390736 /nfs/dbraw/zinc/39/07/36/298390736.db2.gz VWOAFVNITNOALR-CABCVRRESA-N 2 0 295.496 2.992 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423030227 298392629 /nfs/dbraw/zinc/39/26/29/298392629.db2.gz VSKVAPAESYDYMK-MCIONIFRSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422769645 298398975 /nfs/dbraw/zinc/39/89/75/298398975.db2.gz VWPNOEMFELPIBM-CQSZACIVSA-N 2 0 294.414 2.591 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)C ZINC000423463919 301003442 /nfs/dbraw/zinc/00/34/42/301003442.db2.gz GAZNAJUBSZAIAS-NWANDNLSSA-N 2 0 278.444 2.941 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422834225 301798585 /nfs/dbraw/zinc/79/85/85/301798585.db2.gz XAMDLBXQPYIMIO-WMZOPIPTSA-N 2 0 289.467 2.849 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cn(C)c2c1 ZINC000423062677 301874735 /nfs/dbraw/zinc/87/47/35/301874735.db2.gz URKJFDCERRFJBQ-KGLIPLIRSA-N 2 0 273.424 2.745 20 0 CFADRP Cc1cccc([C@@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420331958 302020106 /nfs/dbraw/zinc/02/01/06/302020106.db2.gz MYWQAKPRBXPJGR-OLMNPRSZSA-N 2 0 288.435 2.884 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@]2(C)CC[NH2+]C2)CC1 ZINC000415117693 302094077 /nfs/dbraw/zinc/09/40/77/302094077.db2.gz WBJBIZNIFQUSMT-MRXNPFEDSA-N 2 0 258.409 2.616 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415089574 302107435 /nfs/dbraw/zinc/10/74/35/302107435.db2.gz YXOYQODZRYCDFO-HZPDHXFCSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000422841858 302589236 /nfs/dbraw/zinc/58/92/36/302589236.db2.gz WXJPRCWGGPKTPY-OLZOCXBDSA-N 2 0 284.407 2.526 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423054852 302730160 /nfs/dbraw/zinc/73/01/60/302730160.db2.gz VJDAGNUUCNWPLT-JSGCOSHPSA-N 2 0 278.444 2.739 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCOCCc2ccccc2)CC1 ZINC000422705616 303371007 /nfs/dbraw/zinc/37/10/07/303371007.db2.gz CJAGGYQPKNIEND-UHFFFAOYSA-N 2 0 290.451 2.743 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422913993 303450583 /nfs/dbraw/zinc/45/05/83/303450583.db2.gz ZPHAZZZICUDMBM-UAGQMJEPSA-N 2 0 258.409 2.966 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(OC(F)F)cc1C ZINC000414833770 533696165 /nfs/dbraw/zinc/69/61/65/533696165.db2.gz QCODLAAAOCRWEP-CYBMUJFWSA-N 2 0 298.377 2.994 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000164618217 322383513 /nfs/dbraw/zinc/38/35/13/322383513.db2.gz NCMXQTDOVGQCFC-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168317747 322389360 /nfs/dbraw/zinc/38/93/60/322389360.db2.gz FIMGEQAWSNSXHF-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000569673893 322488929 /nfs/dbraw/zinc/48/89/29/322488929.db2.gz VAZLHVZCCMHQME-RISCZKNCSA-N 2 0 290.436 2.745 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000570518679 322537025 /nfs/dbraw/zinc/53/70/25/322537025.db2.gz ISETYIDYVHPCQL-UHFFFAOYSA-N 2 0 285.391 2.501 20 0 CFADRP CC1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC[NH2+]CC1 ZINC000570543176 322538285 /nfs/dbraw/zinc/53/82/85/322538285.db2.gz NYNGEKMVTXPOAB-UHFFFAOYSA-N 2 0 290.436 2.618 20 0 CFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000570626376 322541984 /nfs/dbraw/zinc/54/19/84/322541984.db2.gz KNGGVJJNFIDWGW-KUQKPQIMSA-N 2 0 290.451 2.613 20 0 CFADRP Fc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1F ZINC000570908946 322558338 /nfs/dbraw/zinc/55/83/38/322558338.db2.gz SIEIDLJDOHUGRR-LBPRGKRZSA-N 2 0 254.324 2.587 20 0 CFADRP Cc1c(Br)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000571106027 322569470 /nfs/dbraw/zinc/56/94/70/322569470.db2.gz ULZFAGYDZILVHO-UHFFFAOYSA-N 2 0 283.213 2.599 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000571176402 322573666 /nfs/dbraw/zinc/57/36/66/322573666.db2.gz MHXNFCPAHHPFTN-ZIAGYGMSSA-N 2 0 269.392 2.713 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000571881369 322599386 /nfs/dbraw/zinc/59/93/86/322599386.db2.gz AQYWZZWXCJRKQQ-UHFFFAOYSA-N 2 0 275.440 2.780 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000574054409 322679468 /nfs/dbraw/zinc/67/94/68/322679468.db2.gz PJVZKDVHJFLLLU-CMPLNLGQSA-N 2 0 265.426 2.628 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000574188408 322684359 /nfs/dbraw/zinc/68/43/59/322684359.db2.gz LUDATGRSUFSTIH-ZDUSSCGKSA-N 2 0 280.412 2.662 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(Cl)c1OC ZINC000574571884 322697504 /nfs/dbraw/zinc/69/75/04/322697504.db2.gz BMQHVKMKLJTECZ-NXEZZACHSA-N 2 0 286.803 2.573 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575762471 322728736 /nfs/dbraw/zinc/72/87/36/322728736.db2.gz VJMWWKQGWMSNJU-NUEKZKHPSA-N 2 0 276.424 2.733 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000575762470 322728761 /nfs/dbraw/zinc/72/87/61/322728761.db2.gz VJMWWKQGWMSNJU-IMJJTQAJSA-N 2 0 276.424 2.733 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](C)COC)c1 ZINC000187683328 324001010 /nfs/dbraw/zinc/00/10/10/324001010.db2.gz WLDIDGDFSSESQG-HNNXBMFYSA-N 2 0 278.440 2.901 20 0 CFADRP COC[C@H](C)C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000188568600 324018116 /nfs/dbraw/zinc/01/81/16/324018116.db2.gz UZXSWOHWSDVAME-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211943200 324110667 /nfs/dbraw/zinc/11/06/67/324110667.db2.gz HRJCGFGFFOWFDR-KBPBESRZSA-N 2 0 258.409 2.810 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000347626840 324141467 /nfs/dbraw/zinc/14/14/67/324141467.db2.gz USLWXCCYWVEMNE-FXUDXRNXSA-N 2 0 282.472 2.758 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000380617199 324411826 /nfs/dbraw/zinc/41/18/26/324411826.db2.gz IJYWLJWWHMNDIX-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000382523195 324429538 /nfs/dbraw/zinc/42/95/38/324429538.db2.gz CFELNRJOQUEGIJ-ZDUSSCGKSA-N 2 0 250.411 2.857 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000382523187 324429967 /nfs/dbraw/zinc/42/99/67/324429967.db2.gz CFELNRJOQUEGIJ-CYBMUJFWSA-N 2 0 250.411 2.857 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000577214729 324711855 /nfs/dbraw/zinc/71/18/55/324711855.db2.gz HUNZLDRJNCNMMQ-GEHYHNTPSA-N 2 0 286.419 2.875 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000578411594 324847917 /nfs/dbraw/zinc/84/79/17/324847917.db2.gz PCLVQOROJHZIEY-NHAGDIPZSA-N 2 0 268.445 2.795 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccncn2)C1 ZINC000578497963 324857878 /nfs/dbraw/zinc/85/78/78/324857878.db2.gz PRZSAKLJVREABE-YXJHDRRASA-N 2 0 296.418 2.673 20 0 CFADRP CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000578738618 324883944 /nfs/dbraw/zinc/88/39/44/324883944.db2.gz DUPPBVLKLBOQCA-SOUVJXGZSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000579004203 324911749 /nfs/dbraw/zinc/91/17/49/324911749.db2.gz GGOVARSWAMKFIF-MWDXBVQZSA-N 2 0 274.408 2.766 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC=C(C)CC2)CC[NH+](C)CC1 ZINC000579035575 324914946 /nfs/dbraw/zinc/91/49/46/324914946.db2.gz LYPKNAIRQDTFOW-CQSZACIVSA-N 2 0 268.470 2.902 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccc(F)cc21 ZINC000579613114 324966146 /nfs/dbraw/zinc/96/61/46/324966146.db2.gz GCCAFLBZSNIIPE-GJZGRUSLSA-N 2 0 289.398 2.719 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000580062957 325002779 /nfs/dbraw/zinc/00/27/79/325002779.db2.gz GXMDEFOEYIROET-WWGRRREGSA-N 2 0 274.408 2.803 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC2CCC1CC2 ZINC000580075272 325004886 /nfs/dbraw/zinc/00/48/86/325004886.db2.gz AFDKADQCRARFOV-GNEWDUKKSA-N 2 0 292.467 2.559 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000580192327 325015012 /nfs/dbraw/zinc/01/50/12/325015012.db2.gz JXOHMGOJIFJZKG-UHFFFAOYSA-N 2 0 298.386 2.596 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000580420994 325033611 /nfs/dbraw/zinc/03/36/11/325033611.db2.gz VFGLDTVJMWWLQO-AWEZNQCLSA-N 2 0 298.434 2.831 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+]Cc1cnccc1N(C)C ZINC000580467242 325039807 /nfs/dbraw/zinc/03/98/07/325039807.db2.gz VOSGTEVDRFSAKD-UHFFFAOYSA-N 2 0 293.455 2.815 20 0 CFADRP C[C@@](O)(C[NH2+]CCCCC[NH+]1CCCCC1)C(F)(F)F ZINC000580642466 325052526 /nfs/dbraw/zinc/05/25/26/325052526.db2.gz XMVLLGQKPYZNBG-CYBMUJFWSA-N 2 0 296.377 2.546 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cn2ccccc2n1 ZINC000580784684 325064613 /nfs/dbraw/zinc/06/46/13/325064613.db2.gz ZGLKEGRQCYYVAJ-LSDHHAIUSA-N 2 0 286.423 2.717 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCOCC1CCC1 ZINC000581336932 325111904 /nfs/dbraw/zinc/11/19/04/325111904.db2.gz MJSRUUPLSZIEDC-UHFFFAOYSA-N 2 0 262.397 2.729 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000581364878 325114472 /nfs/dbraw/zinc/11/44/72/325114472.db2.gz PBFHXCGIIGWDGV-QAPCUYQASA-N 2 0 290.451 2.779 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000581608607 325136258 /nfs/dbraw/zinc/13/62/58/325136258.db2.gz ZEZPCDKWOYTEGD-IHRRRGAJSA-N 2 0 292.448 2.647 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000581713845 325144608 /nfs/dbraw/zinc/14/46/08/325144608.db2.gz QUPVSIWFWKNRID-HNNXBMFYSA-N 2 0 262.397 2.565 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000581825099 325151121 /nfs/dbraw/zinc/15/11/21/325151121.db2.gz ZPZTZJKSIAJDGG-KRWDZBQOSA-N 2 0 285.366 2.920 20 0 CFADRP CC1CCC(O)(C[NH2+]CC2(C[NH+](C)C)CCCC2)CC1 ZINC000582118220 325177615 /nfs/dbraw/zinc/17/76/15/325177615.db2.gz ITGNSJKBISNLGM-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000582129785 325178841 /nfs/dbraw/zinc/17/88/41/325178841.db2.gz CGFWBKIOJFXLTC-SJLPKXTDSA-N 2 0 292.467 2.984 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000582214978 325186041 /nfs/dbraw/zinc/18/60/41/325186041.db2.gz DSUISHQSDNYTKX-HOTGVXAUSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)(CCC[NH3+])[NH2+]Cc1ccnc2ccccc12 ZINC000582348087 325196932 /nfs/dbraw/zinc/19/69/32/325196932.db2.gz GGOCZSJOUULULB-UHFFFAOYSA-N 2 0 257.381 2.842 20 0 CFADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1C ZINC000582360341 325198448 /nfs/dbraw/zinc/19/84/48/325198448.db2.gz KIPBRQUGHYOWGQ-UHFFFAOYSA-N 2 0 270.376 2.752 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000582719836 325228121 /nfs/dbraw/zinc/22/81/21/325228121.db2.gz RYHWTMZLSVTXQT-ZDUSSCGKSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582735697 325230621 /nfs/dbraw/zinc/23/06/21/325230621.db2.gz KTNBOQUURMBILY-RAIGVLPGSA-N 2 0 284.350 2.592 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cc(N)ccc2O1 ZINC000582772986 325232877 /nfs/dbraw/zinc/23/28/77/325232877.db2.gz MFZXUOGTSHESRK-ZFWWWQNUSA-N 2 0 289.423 2.603 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(OC(F)F)c(Cl)c1 ZINC000582845412 325238895 /nfs/dbraw/zinc/23/88/95/325238895.db2.gz TYIHBTXSNDSBAO-UHFFFAOYSA-N 2 0 278.730 2.722 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000582855792 325239859 /nfs/dbraw/zinc/23/98/59/325239859.db2.gz CKHYJFPOUWAXFG-HOTGVXAUSA-N 2 0 284.407 2.540 20 0 CFADRP Cc1ccc([C@H]2CC[N@@H+](CCc3cncn3C)C2)cc1 ZINC000582890864 325242949 /nfs/dbraw/zinc/24/29/49/325242949.db2.gz ZSDQOZJDMPYUAD-INIZCTEOSA-N 2 0 269.392 2.761 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)ccn1 ZINC000582914204 325245504 /nfs/dbraw/zinc/24/55/04/325245504.db2.gz DGDPPZSMQWVCCW-CYBMUJFWSA-N 2 0 277.412 2.615 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000583078359 325258158 /nfs/dbraw/zinc/25/81/58/325258158.db2.gz VNFVAFNOEPAMHA-LLVKDONJSA-N 2 0 273.424 2.936 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000583435085 325287089 /nfs/dbraw/zinc/28/70/89/325287089.db2.gz IZJMFOVXAWKCEH-ZFWWWQNUSA-N 2 0 259.397 2.579 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583564664 325296418 /nfs/dbraw/zinc/29/64/18/325296418.db2.gz ADQJJDURJISDFU-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000583806384 325311556 /nfs/dbraw/zinc/31/15/56/325311556.db2.gz BARYSZSTSXPZJW-LSDHHAIUSA-N 2 0 299.418 2.876 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)o1)C1CC[NH+](C)CC1 ZINC000396436473 574354678 /nfs/dbraw/zinc/35/46/78/574354678.db2.gz GKZKJXYXRSUMLU-SNVBAGLBSA-N 2 0 256.777 2.753 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663464 500704037 /nfs/dbraw/zinc/70/40/37/500704037.db2.gz JHMBGERWESPWLG-BQFCYCMXSA-N 2 0 290.451 2.769 20 0 CFADRP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000236788814 521205222 /nfs/dbraw/zinc/20/52/22/521205222.db2.gz PWXMKTALBFGZFW-CABCVRRESA-N 2 0 297.487 2.521 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000261574045 521376883 /nfs/dbraw/zinc/37/68/83/521376883.db2.gz WUDKQQMRQCESFL-HNNXBMFYSA-N 2 0 262.397 2.563 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000340042041 521717403 /nfs/dbraw/zinc/71/74/03/521717403.db2.gz ZZIKJMWOUXGWGV-LLVKDONJSA-N 2 0 270.467 2.901 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423158454 533723800 /nfs/dbraw/zinc/72/38/00/533723800.db2.gz CQZTZTQNMPFFEY-CBBWQLFWSA-N 2 0 268.445 2.558 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000414346437 533754597 /nfs/dbraw/zinc/75/45/97/533754597.db2.gz VFCWVSXUGVXPMQ-SCNOPHJPSA-N 2 0 288.435 2.871 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423188792 533755024 /nfs/dbraw/zinc/75/50/24/533755024.db2.gz QJSVJEMXTSKPON-DUPGQFARSA-N 2 0 262.397 2.514 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1C ZINC000422791683 533767936 /nfs/dbraw/zinc/76/79/36/533767936.db2.gz WLFJFYQKZQNGKP-HZPDHXFCSA-N 2 0 276.424 2.796 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422704968 533775073 /nfs/dbraw/zinc/77/50/73/533775073.db2.gz AZZNHKSYVXLFNM-YXQSOJMXSA-N 2 0 260.381 2.629 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414872940 533771178 /nfs/dbraw/zinc/77/11/78/533771178.db2.gz GRAOZNPTZAUCFR-QMMMGPOBSA-N 2 0 278.730 2.626 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414822132 533779034 /nfs/dbraw/zinc/77/90/34/533779034.db2.gz CGMPAGIYLSUDEK-GFCCVEGCSA-N 2 0 252.789 2.738 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422752754 533792984 /nfs/dbraw/zinc/79/29/84/533792984.db2.gz FIEPGMOJJDORHE-YYIAUSFCSA-N 2 0 295.515 2.850 20 0 CFADRP C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423171886 533804536 /nfs/dbraw/zinc/80/45/36/533804536.db2.gz QKURXZKTZMXBKV-GMKTYKIGSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414773860 533827620 /nfs/dbraw/zinc/82/76/20/533827620.db2.gz AAJQMDXQHOYANS-MRXNPFEDSA-N 2 0 281.488 2.620 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414828767 533827669 /nfs/dbraw/zinc/82/76/69/533827669.db2.gz MSJNQIWPFCYCIS-DOTOQJQBSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C[C@@H]2CCCO2)C2CCCC2)CC[NH2+]1 ZINC000414709367 533839807 /nfs/dbraw/zinc/83/98/07/533839807.db2.gz QZUIOJUUGBXKLV-INMHGKMJSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCNc1cccc(F)c1 ZINC000423037687 533845629 /nfs/dbraw/zinc/84/56/29/533845629.db2.gz WPTIMNFUFKLIMA-CYBMUJFWSA-N 2 0 267.392 2.735 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000422705281 533845647 /nfs/dbraw/zinc/84/56/47/533845647.db2.gz BQNJFJPELFRZPB-ZNMIVQPWSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1ccccc1OC(F)(F)F ZINC000423186088 533845976 /nfs/dbraw/zinc/84/59/76/533845976.db2.gz WICXAIOVPGDYOX-VIFPVBQESA-N 2 0 262.275 2.585 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423124908 533846206 /nfs/dbraw/zinc/84/62/06/533846206.db2.gz MYRYHIXJWOACNC-CHWSQXEVSA-N 2 0 284.831 2.523 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000422767032 533846919 /nfs/dbraw/zinc/84/69/19/533846919.db2.gz SBHKFMGLMIWKAW-QLFBSQMISA-N 2 0 270.461 2.935 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCc2ccccc2C1 ZINC000422807780 533844344 /nfs/dbraw/zinc/84/43/44/533844344.db2.gz NCZAGGDXZVFKNA-MRXNPFEDSA-N 2 0 289.467 2.542 20 0 CFADRP C[C@H]([NH2+]CCCCc1ccc(Cl)s1)C1C[NH2+]C1 ZINC000423108327 533844816 /nfs/dbraw/zinc/84/48/16/533844816.db2.gz QYZUBNLOPONPLC-JTQLQIEISA-N 2 0 272.845 2.922 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423262322 533865723 /nfs/dbraw/zinc/86/57/23/533865723.db2.gz VBMOHFZNVNYKNB-QWHCGFSZSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423244179 533866213 /nfs/dbraw/zinc/86/62/13/533866213.db2.gz HKFGDOKSMXXIKT-NWDGAFQWSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422760501 533867541 /nfs/dbraw/zinc/86/75/41/533867541.db2.gz LXHTVFWTWUXSQP-LLVKDONJSA-N 2 0 263.360 2.567 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422936238 533868307 /nfs/dbraw/zinc/86/83/07/533868307.db2.gz FGPRDJWMWLERHQ-GFCCVEGCSA-N 2 0 297.830 2.776 20 0 CFADRP C[C@H]([NH2+]CCc1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000422949868 533873063 /nfs/dbraw/zinc/87/30/63/533873063.db2.gz UUNHRKDRQUXHCC-VIFPVBQESA-N 2 0 273.207 2.733 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000422918929 533869785 /nfs/dbraw/zinc/86/97/85/533869785.db2.gz IZYGELWEEDWMEE-VXGBXAGGSA-N 2 0 270.804 2.824 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414745085 533878497 /nfs/dbraw/zinc/87/84/97/533878497.db2.gz OWZRVGATLWNYKD-UONOGXRCSA-N 2 0 264.388 2.954 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423300163 533884580 /nfs/dbraw/zinc/88/45/80/533884580.db2.gz QZHSAQPWGIBLFH-VHSXEESVSA-N 2 0 256.777 2.594 20 0 CFADRP C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422729182 533893093 /nfs/dbraw/zinc/89/30/93/533893093.db2.gz BLCJDVOWCAAOJO-JKIFEVAISA-N 2 0 290.455 2.655 20 0 CFADRP C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422891152 533894692 /nfs/dbraw/zinc/89/46/92/533894692.db2.gz KDOXYWKIWAARCF-USXIJHARSA-N 2 0 281.488 2.617 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1OC(C)C ZINC000414792494 533895887 /nfs/dbraw/zinc/89/58/87/533895887.db2.gz IZSVCYQCMYLJGG-LSDHHAIUSA-N 2 0 292.423 2.699 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414874972 533901830 /nfs/dbraw/zinc/90/18/30/533901830.db2.gz BMMMRKGFYVTUDA-CYBMUJFWSA-N 2 0 255.365 2.576 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414874417 533900462 /nfs/dbraw/zinc/90/04/62/533900462.db2.gz AYTZLSBNXKCSDI-MRVPVSSYSA-N 2 0 264.266 2.671 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423329184 533907660 /nfs/dbraw/zinc/90/76/60/533907660.db2.gz FCMAXDPGMZUHCH-QWRGUYRKSA-N 2 0 288.313 2.845 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414773252 533930235 /nfs/dbraw/zinc/93/02/35/533930235.db2.gz DGHFHCCXZITGOC-SJORKVTESA-N 2 0 258.409 2.817 20 0 CFADRP COc1cc(Cl)c(C[NH2+]CCCC[NH3+])cc1Cl ZINC000414899900 533932415 /nfs/dbraw/zinc/93/24/15/533932415.db2.gz GXDYVODUEQWCLG-UHFFFAOYSA-N 2 0 277.195 2.831 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cnn1C(C)(C)C ZINC000423508140 533957125 /nfs/dbraw/zinc/95/71/25/533957125.db2.gz NRJYYNILHZSGLD-FPMFFAJLSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835863 533990676 /nfs/dbraw/zinc/99/06/76/533990676.db2.gz RZOACCZNRRZWRR-WBVHZDCISA-N 2 0 260.425 2.845 20 0 CFADRP C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422812635 533994867 /nfs/dbraw/zinc/99/48/67/533994867.db2.gz YAGNPPGVNVXUAT-RYQLBKOJSA-N 2 0 287.451 2.554 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000425339757 534003606 /nfs/dbraw/zinc/00/36/06/534003606.db2.gz CYNBQYQGVDZUFD-HUUCEWRRSA-N 2 0 264.438 2.732 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423166200 534016110 /nfs/dbraw/zinc/01/61/10/534016110.db2.gz QWRXSGREAQIVOJ-GDZNZVCISA-N 2 0 294.414 2.743 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414698973 534020173 /nfs/dbraw/zinc/02/01/73/534020173.db2.gz DPMMVSDQHGXFMZ-CABCVRRESA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000414897996 534059033 /nfs/dbraw/zinc/05/90/33/534059033.db2.gz AORFWHAUICWBAW-WBVHZDCISA-N 2 0 260.425 2.845 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422876945 534068100 /nfs/dbraw/zinc/06/81/00/534068100.db2.gz GVNBOALRKMAESP-YGRLFVJLSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422953814 534069696 /nfs/dbraw/zinc/06/96/96/534069696.db2.gz GNIRVSDIWZOIEX-OLZOCXBDSA-N 2 0 293.480 2.542 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422934320 534070209 /nfs/dbraw/zinc/07/02/09/534070209.db2.gz CLDKYTZVNYYBSV-DOMZBBRYSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422920665 534072643 /nfs/dbraw/zinc/07/26/43/534072643.db2.gz MNMWBMKSIDJNFU-SIXLDLHFSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422777373 534073703 /nfs/dbraw/zinc/07/37/03/534073703.db2.gz FKVGOWJAKZUTHG-IUODEOHRSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423117836 534073990 /nfs/dbraw/zinc/07/39/90/534073990.db2.gz XMWIMRHFDMLNHP-CZUORRHYSA-N 2 0 271.408 2.688 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000423147940 534074130 /nfs/dbraw/zinc/07/41/30/534074130.db2.gz UCTADJZVMWXWMS-JHJVBQTASA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422910234 534075139 /nfs/dbraw/zinc/07/51/39/534075139.db2.gz PWSYRXRRDHRLJC-FRFSOERESA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(F)cc1F ZINC000422799086 534077741 /nfs/dbraw/zinc/07/77/41/534077741.db2.gz VBFNVCABDFTAKU-QWRGUYRKSA-N 2 0 256.340 2.785 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(Cc3cccnc3)CC2)CC[NH2+]1 ZINC000414748898 534080283 /nfs/dbraw/zinc/08/02/83/534080283.db2.gz XNPYWIWUFIWXLF-YJBOKZPZSA-N 2 0 287.451 2.724 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000415027534 534089507 /nfs/dbraw/zinc/08/95/07/534089507.db2.gz BAOKZROUTRYHKF-YPMHNXCESA-N 2 0 252.789 2.865 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])ccc2[nH]1 ZINC000423102255 534093199 /nfs/dbraw/zinc/09/31/99/534093199.db2.gz DSLHNZYXBLKTBJ-DZGCQCFKSA-N 2 0 257.381 2.693 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422770523 534105493 /nfs/dbraw/zinc/10/54/93/534105493.db2.gz QEZKYNIRROKOOJ-AWEZNQCLSA-N 2 0 266.454 2.945 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422816751 534107647 /nfs/dbraw/zinc/10/76/47/534107647.db2.gz BGWJKBNZSOSQIE-DJIMGWMZSA-N 2 0 290.451 2.992 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000425363190 534115613 /nfs/dbraw/zinc/11/56/13/534115613.db2.gz WECUVAYIXWLTGV-PQAZSJQKSA-N 2 0 256.459 2.590 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843093 534117617 /nfs/dbraw/zinc/11/76/17/534117617.db2.gz PPQMBEQAWSMXIK-GJZGRUSLSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CC2([NH3+])CCC2)C2CC2)cc1 ZINC000423323380 534129767 /nfs/dbraw/zinc/12/97/67/534129767.db2.gz JHEJFFXKIDNJHT-MRXNPFEDSA-N 2 0 258.409 2.787 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000414877320 534148732 /nfs/dbraw/zinc/14/87/32/534148732.db2.gz MKJOEBNQKBOKFY-CMPLNLGQSA-N 2 0 297.830 2.550 20 0 CFADRP C[C@]1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC[NH2+]C1 ZINC000414899958 534176527 /nfs/dbraw/zinc/17/65/27/534176527.db2.gz CWWXYGFNLPGGMH-ULQDDVLXSA-N 2 0 258.409 2.769 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCC[NH2+]C1 ZINC000414913866 534177052 /nfs/dbraw/zinc/17/70/52/534177052.db2.gz XIPKRJABACNZQQ-AWEZNQCLSA-N 2 0 270.779 2.958 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1 ZINC000422729892 534178510 /nfs/dbraw/zinc/17/85/10/534178510.db2.gz LENIRMMZMVGDNJ-KBXCAEBGSA-N 2 0 286.394 2.916 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423161745 534180089 /nfs/dbraw/zinc/18/00/89/534180089.db2.gz JNJSIMNCRNSXJY-OSMBCOQSSA-N 2 0 258.409 2.581 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccsc1 ZINC000422802822 534180483 /nfs/dbraw/zinc/18/04/83/534180483.db2.gz DZKWHCULXRJODE-XJKSGUPXSA-N 2 0 274.433 2.839 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422786232 534200684 /nfs/dbraw/zinc/20/06/84/534200684.db2.gz KLUIGOBCQCZFNL-LSVZVQIISA-N 2 0 274.408 2.635 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423096255 534200703 /nfs/dbraw/zinc/20/07/03/534200703.db2.gz OHYXBSPROBOIGP-XJKSGUPXSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422809482 534223916 /nfs/dbraw/zinc/22/39/16/534223916.db2.gz PXMMEZQOWNUUMB-OWSLCNJRSA-N 2 0 288.435 2.932 20 0 CFADRP CC(C)C[C@@H]([NH3+])CNC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414827994 517425544 /nfs/dbraw/zinc/42/55/44/517425544.db2.gz IDUDASQVBUAIDZ-IAGOWNOFSA-N 2 0 277.456 2.773 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414995510 517771829 /nfs/dbraw/zinc/77/18/29/517771829.db2.gz WBMWDNXPVMBQFP-WCQYABFASA-N 2 0 297.830 2.692 20 0 CFADRP Cc1ccn2c(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cnc2c1 ZINC000414801830 534348677 /nfs/dbraw/zinc/34/86/77/534348677.db2.gz AQFFKQNTIIDDED-CQSZACIVSA-N 2 0 294.402 2.952 20 0 CFADRP C(=C/c1ccncc1)\C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496587 518374405 /nfs/dbraw/zinc/37/44/05/518374405.db2.gz CNNRHCNUVALCII-VOTSOKGWSA-N 2 0 273.424 2.951 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCSCC1 ZINC000422725046 534349481 /nfs/dbraw/zinc/34/94/81/534349481.db2.gz AGQZQLOKCPIACO-LLVKDONJSA-N 2 0 279.453 2.643 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000422728572 534351032 /nfs/dbraw/zinc/35/10/32/534351032.db2.gz JJZZCPZKAYVGCH-GFCCVEGCSA-N 2 0 287.382 2.881 20 0 CFADRP C1=CO[C@H](C[NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000194298878 518575873 /nfs/dbraw/zinc/57/58/73/518575873.db2.gz SIVBSCROUBKHRY-KRWDZBQOSA-N 2 0 278.440 2.923 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414904030 534404821 /nfs/dbraw/zinc/40/48/21/534404821.db2.gz KSKUJKDMDHCZJX-GFCCVEGCSA-N 2 0 288.313 2.817 20 0 CFADRP CC(C)C[C@H](C)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000337172364 519305485 /nfs/dbraw/zinc/30/54/85/519305485.db2.gz FKESXVXULQNORJ-INIZCTEOSA-N 2 0 283.504 2.626 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414161401 534428337 /nfs/dbraw/zinc/42/83/37/534428337.db2.gz BUKXQQTVHJFZJK-ZDUSSCGKSA-N 2 0 266.348 2.889 20 0 CFADRP CC(C)CCC[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000338435983 519641054 /nfs/dbraw/zinc/64/10/54/519641054.db2.gz GRTOXOASDBAVHR-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000338434321 519641309 /nfs/dbraw/zinc/64/13/09/519641309.db2.gz AEGFNFAWHOOFFT-SJORKVTESA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000155812474 519644168 /nfs/dbraw/zinc/64/41/68/519644168.db2.gz UJOMFRDDOGKCFY-CVEARBPZSA-N 2 0 269.477 2.568 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000192609104 519653993 /nfs/dbraw/zinc/65/39/93/519653993.db2.gz IRCPFAIIONUPSO-WBVHZDCISA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363795028 519663732 /nfs/dbraw/zinc/66/37/32/519663732.db2.gz XOXAXIFRKGFYAZ-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000361239794 519777013 /nfs/dbraw/zinc/77/70/13/519777013.db2.gz YEWMKYOGQFKRGS-OWCLPIDISA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000361003164 519777461 /nfs/dbraw/zinc/77/74/61/519777461.db2.gz NKVSPYWUAXHVRI-CABCVRRESA-N 2 0 270.461 2.898 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC000088520418 519844493 /nfs/dbraw/zinc/84/44/93/519844493.db2.gz XWJBYPPIMIOHFY-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309763906 520137785 /nfs/dbraw/zinc/13/77/85/520137785.db2.gz YVWSYBSUKKLDET-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000340711206 520167056 /nfs/dbraw/zinc/16/70/56/520167056.db2.gz NQTKAOBEXWIQRE-HNNXBMFYSA-N 2 0 256.434 2.515 20 0 CFADRP CC/C=C\CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519034 520202520 /nfs/dbraw/zinc/20/25/20/520202520.db2.gz MFJLVJAMGQWAMK-PLNGDYQASA-N 2 0 275.396 2.569 20 0 CFADRP Fc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786095 534479219 /nfs/dbraw/zinc/47/92/19/534479219.db2.gz UBVKNIYZTSOOKX-OLZOCXBDSA-N 2 0 280.362 2.786 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000161739926 520271699 /nfs/dbraw/zinc/27/16/99/520271699.db2.gz CUYVABAKQUDSDX-MRXNPFEDSA-N 2 0 268.445 2.753 20 0 CFADRP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423189694 534492812 /nfs/dbraw/zinc/49/28/12/534492812.db2.gz QZLLKROEBMBMKL-GUYCJALGSA-N 2 0 292.398 2.635 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000334879406 520499223 /nfs/dbraw/zinc/49/92/23/520499223.db2.gz BUSBNALTEKCKES-INIZCTEOSA-N 2 0 269.392 2.713 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C12CCCCC2 ZINC000087294728 520574089 /nfs/dbraw/zinc/57/40/89/520574089.db2.gz QCVUXCWYQMVDKJ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000365193294 520607459 /nfs/dbraw/zinc/60/74/59/520607459.db2.gz UUUNEWNUZQJJOQ-SJORKVTESA-N 2 0 282.472 2.857 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423253831 534505363 /nfs/dbraw/zinc/50/53/63/534505363.db2.gz WLVSJEPLLMQRDA-MLGOLLRUSA-N 2 0 262.372 2.792 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670531 520625002 /nfs/dbraw/zinc/62/50/02/520625002.db2.gz WZJIBXFIFZRZPP-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872765 520633562 /nfs/dbraw/zinc/63/35/62/520633562.db2.gz GNWOMDGYLWRQLR-MRXNPFEDSA-N 2 0 296.455 2.528 20 0 CFADRP c1cncc(-c2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)c2)c1 ZINC000414915019 534507551 /nfs/dbraw/zinc/50/75/51/534507551.db2.gz LTHCLYOUUDGROS-SFHVURJKSA-N 2 0 281.403 2.980 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCCn2ccnc2C)C1 ZINC000162074796 520739571 /nfs/dbraw/zinc/73/95/71/520739571.db2.gz LMFOQFLABOFBDY-QGZVFWFLSA-N 2 0 292.471 2.635 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)COC)cc1 ZINC000053172621 520751037 /nfs/dbraw/zinc/75/10/37/520751037.db2.gz OGABAWOCSSYBLA-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000340700134 521275507 /nfs/dbraw/zinc/27/55/07/521275507.db2.gz BAHSRXUCOPVCMH-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000155735613 521694417 /nfs/dbraw/zinc/69/44/17/521694417.db2.gz KGTADSDNKNEVEY-IAGOWNOFSA-N 2 0 289.467 2.672 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360839718 521711616 /nfs/dbraw/zinc/71/16/16/521711616.db2.gz YRFAOHINVYIARU-WMLDXEAASA-N 2 0 273.424 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000246455378 521721079 /nfs/dbraw/zinc/72/10/79/521721079.db2.gz PMORCQLCXPPWQO-RRQGHBQHSA-N 2 0 294.414 2.833 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309924221 521797515 /nfs/dbraw/zinc/79/75/15/521797515.db2.gz WWSWTUSOMKAQAQ-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000422744491 534594018 /nfs/dbraw/zinc/59/40/18/534594018.db2.gz WDXIRMNFHJZYHP-UHFFFAOYSA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000422841068 534594295 /nfs/dbraw/zinc/59/42/95/534594295.db2.gz VCIFGFHPFJCDRA-UHFFFAOYSA-N 2 0 289.398 2.957 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c(Cl)cccc2OC)CC1 ZINC000228760678 521977169 /nfs/dbraw/zinc/97/71/69/521977169.db2.gz BVDSSYHBOYEZPC-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000157117469 521984063 /nfs/dbraw/zinc/98/40/63/521984063.db2.gz ZKYMQSKPFKQOJH-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414915359 534604998 /nfs/dbraw/zinc/60/49/98/534604998.db2.gz ZGQOZGOLYSROPK-UHFFFAOYSA-N 2 0 267.423 2.700 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414909473 534606149 /nfs/dbraw/zinc/60/61/49/534606149.db2.gz RHCRRKMMFHQIBB-UHFFFAOYSA-N 2 0 253.415 2.629 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246556030 522243200 /nfs/dbraw/zinc/24/32/00/522243200.db2.gz WWILDHMDRDUGPC-ZFWWWQNUSA-N 2 0 262.397 2.576 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192931426 522258542 /nfs/dbraw/zinc/25/85/42/522258542.db2.gz FCOZEJBVXGHUJG-IAGOWNOFSA-N 2 0 276.424 2.523 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000234740934 522289162 /nfs/dbraw/zinc/28/91/62/522289162.db2.gz PUYQJLOMWNHBFP-GOEBONIOSA-N 2 0 294.439 2.878 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000234752250 522289210 /nfs/dbraw/zinc/28/92/10/522289210.db2.gz YAVGRCATEPAXMM-RDTXWAMCSA-N 2 0 290.451 2.970 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000234753260 522289393 /nfs/dbraw/zinc/28/93/93/522289393.db2.gz SUTUBDUYNIPZJS-NVXWUHKLSA-N 2 0 288.391 2.713 20 0 CFADRP CCc1nc(C[NH2+]CC2(C)CC[NH+](C)CC2)cs1 ZINC000227327181 522340640 /nfs/dbraw/zinc/34/06/40/522340640.db2.gz REJAWSUPBFPBHW-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc1C ZINC000339408580 522350256 /nfs/dbraw/zinc/35/02/56/522350256.db2.gz UBOUORPJDNWGED-HNNXBMFYSA-N 2 0 264.413 2.809 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C)c1 ZINC000311320961 522594075 /nfs/dbraw/zinc/59/40/75/522594075.db2.gz CCEMFMJBPXXYHT-INIZCTEOSA-N 2 0 264.413 2.614 20 0 CFADRP CCc1nccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000163069722 522594364 /nfs/dbraw/zinc/59/43/64/522594364.db2.gz WMATXWACXNFMDQ-JKSUJKDBSA-N 2 0 290.455 2.567 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414790990 534647484 /nfs/dbraw/zinc/64/74/84/534647484.db2.gz PTFXGTHHMWHELN-ULQDDVLXSA-N 2 0 258.409 2.993 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000234696330 522669008 /nfs/dbraw/zinc/66/90/08/522669008.db2.gz RCTPOHHXQFZILA-RISCZKNCSA-N 2 0 270.804 2.745 20 0 CFADRP C[N@H+](CCCCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436589 522742128 /nfs/dbraw/zinc/74/21/28/522742128.db2.gz RNHPGKGWEVHQRV-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000157908759 522827265 /nfs/dbraw/zinc/82/72/65/522827265.db2.gz OJWUWZBUTWBGDF-DOTOQJQBSA-N 2 0 292.471 2.973 20 0 CFADRP CCc1nocc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339498777 522938607 /nfs/dbraw/zinc/93/86/07/522938607.db2.gz TYIFMNFCIREADA-UHFFFAOYSA-N 2 0 265.401 2.593 20 0 CFADRP C[N@H+](CCc1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000161771356 522955963 /nfs/dbraw/zinc/95/59/63/522955963.db2.gz WIOVOUVKQMYMEH-CQSZACIVSA-N 2 0 264.388 2.642 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422939705 534681403 /nfs/dbraw/zinc/68/14/03/534681403.db2.gz IEWKLHIRYRQWSR-HUUCEWRRSA-N 2 0 264.413 2.788 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093499 534711892 /nfs/dbraw/zinc/71/18/92/534711892.db2.gz HSXOGDXWUUXESF-OJDYBEQGSA-N 2 0 262.372 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422935149 534715441 /nfs/dbraw/zinc/71/54/41/534715441.db2.gz DAKLFHRPDNYYGM-ZIAGYGMSSA-N 2 0 295.814 2.528 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000415004568 534725718 /nfs/dbraw/zinc/72/57/18/534725718.db2.gz OIPAJOLVAADOFN-JQWIXIFHSA-N 2 0 298.333 2.615 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000365060615 523760478 /nfs/dbraw/zinc/76/04/78/523760478.db2.gz HAPXFBYTBZKZIA-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339238343 523765003 /nfs/dbraw/zinc/76/50/03/523765003.db2.gz MFKJOOUFNNPSHQ-UHFFFAOYSA-N 2 0 299.418 2.697 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000162637212 523821005 /nfs/dbraw/zinc/82/10/05/523821005.db2.gz ZYHIREXJSURIKJ-QGZVFWFLSA-N 2 0 280.456 2.609 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000360837336 523876216 /nfs/dbraw/zinc/87/62/16/523876216.db2.gz PGNNNYMPRXOACW-HUUCEWRRSA-N 2 0 294.439 2.703 20 0 CFADRP Cc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000414847332 534741413 /nfs/dbraw/zinc/74/14/13/534741413.db2.gz IYXIRGOTIZXXQJ-MRXNPFEDSA-N 2 0 298.434 2.660 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000361923361 523897857 /nfs/dbraw/zinc/89/78/57/523897857.db2.gz DEDBRDCMEABZDD-LSDHHAIUSA-N 2 0 270.461 2.758 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000360253618 523939433 /nfs/dbraw/zinc/93/94/33/523939433.db2.gz ZPBWBVZTVAASKH-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353432103 523987835 /nfs/dbraw/zinc/98/78/35/523987835.db2.gz ABVYMCRJZQDMSK-ULQDDVLXSA-N 2 0 258.409 2.692 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360778917 524016297 /nfs/dbraw/zinc/01/62/97/524016297.db2.gz YPODLCOQANGPDA-SQNIBIBYSA-N 2 0 281.403 2.749 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000360242102 524028120 /nfs/dbraw/zinc/02/81/20/524028120.db2.gz NDQCWLFTFXSFSW-QZTJIDSGSA-N 2 0 290.451 2.746 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000361968076 524098240 /nfs/dbraw/zinc/09/82/40/524098240.db2.gz DNSPYSGAQCUELY-AEFFLSMTSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000310932706 524139343 /nfs/dbraw/zinc/13/93/43/524139343.db2.gz VBOJWIZMJALMQL-SNVBAGLBSA-N 2 0 258.312 2.505 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1Br ZINC000309020044 524139557 /nfs/dbraw/zinc/13/95/57/524139557.db2.gz UBMAMDIWRMTKOS-SNVBAGLBSA-N 2 0 271.202 2.666 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000049553659 524153980 /nfs/dbraw/zinc/15/39/80/524153980.db2.gz IIBASNLCFCWXRC-KBPBESRZSA-N 2 0 294.439 2.565 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000314392312 524172886 /nfs/dbraw/zinc/17/28/86/524172886.db2.gz SGNXGBWQRRJKHS-YESZJQIVSA-N 2 0 288.435 2.741 20 0 CFADRP COc1ccc(Cl)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336309134 524206687 /nfs/dbraw/zinc/20/66/87/524206687.db2.gz JSZOFGUMTLIZMM-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cn1 ZINC000334839174 524240552 /nfs/dbraw/zinc/24/05/52/524240552.db2.gz YAKJKZGNFXGHCK-HZPDHXFCSA-N 2 0 287.451 2.958 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000261622597 524263219 /nfs/dbraw/zinc/26/32/19/524263219.db2.gz UYAGHQXLJBAJQJ-WBVHZDCISA-N 2 0 258.409 2.653 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000157528293 524264471 /nfs/dbraw/zinc/26/44/71/524264471.db2.gz SOMBCSGTBSWTSH-MRXNPFEDSA-N 2 0 292.471 2.906 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000305723113 524293997 /nfs/dbraw/zinc/29/39/97/524293997.db2.gz DTXBMWHPHMWYEP-ZACQAIPSSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000336794666 524306269 /nfs/dbraw/zinc/30/62/69/524306269.db2.gz DSCZGPQBNHJSDC-NXEZZACHSA-N 2 0 260.303 2.951 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c21 ZINC000422717462 534776618 /nfs/dbraw/zinc/77/66/18/534776618.db2.gz OPCVPFIVASPNGF-UKRRQHHQSA-N 2 0 271.408 2.736 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227914433 524363086 /nfs/dbraw/zinc/36/30/86/524363086.db2.gz GHINJGCFXLYTQT-SJORKVTESA-N 2 0 258.409 2.754 20 0 CFADRP Cc1cc(C)cc(OCCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193619313 524445276 /nfs/dbraw/zinc/44/52/76/524445276.db2.gz LADDQZBFQGXPGU-CALCHBBNSA-N 2 0 288.435 2.566 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000313990168 524446518 /nfs/dbraw/zinc/44/65/18/524446518.db2.gz KIVFHZXQVVTPRO-RYQLBKOJSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000049553720 524477650 /nfs/dbraw/zinc/47/76/50/524477650.db2.gz FYBBAFXLRXLZSH-GJZGRUSLSA-N 2 0 286.423 2.863 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000228537626 524478926 /nfs/dbraw/zinc/47/89/26/524478926.db2.gz RLKFTLBVQVSHTA-GVDBMIGSSA-N 2 0 258.409 2.863 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000360984135 524502297 /nfs/dbraw/zinc/50/22/97/524502297.db2.gz ZBKLMHKNBUTVRA-ZOBUZTSGSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553213 524524994 /nfs/dbraw/zinc/52/49/94/524524994.db2.gz XWWPZYKRZNSFAR-KBPBESRZSA-N 2 0 292.423 2.666 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000335022026 524528714 /nfs/dbraw/zinc/52/87/14/524528714.db2.gz CIYIECZRIIAFAF-RISCZKNCSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335045014 524528779 /nfs/dbraw/zinc/52/87/79/524528779.db2.gz XGSPBRHHHKJOKT-IUODEOHRSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000361481281 524563152 /nfs/dbraw/zinc/56/31/52/524563152.db2.gz LAEKHGWRHZPOCW-GOEBONIOSA-N 2 0 276.424 2.774 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422898165 534802104 /nfs/dbraw/zinc/80/21/04/534802104.db2.gz DMCNKMIWZLDALI-XYPWUTKMSA-N 2 0 270.420 2.899 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000422912264 534803402 /nfs/dbraw/zinc/80/34/02/534803402.db2.gz VRPJHDFLMANAIK-ZIAGYGMSSA-N 2 0 281.469 2.894 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000422908456 534803693 /nfs/dbraw/zinc/80/36/93/534803693.db2.gz MOZSOJDIESFFSB-QWHCGFSZSA-N 2 0 267.442 2.504 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCOc1ccccc1 ZINC000339409405 524781537 /nfs/dbraw/zinc/78/15/37/524781537.db2.gz MEMFSZXTGRCMJT-GJZGRUSLSA-N 2 0 262.397 2.515 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1F ZINC000335023908 524784249 /nfs/dbraw/zinc/78/42/49/524784249.db2.gz LBAUYYUGGMLPRR-NHYWBVRUSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000164612815 524805537 /nfs/dbraw/zinc/80/55/37/524805537.db2.gz DBVWEOSYZDZWQT-IRXDYDNUSA-N 3 0 281.488 2.715 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000335051137 524810399 /nfs/dbraw/zinc/81/03/99/524810399.db2.gz CSELHBVZRUINJM-BBRMVZONSA-N 2 0 273.424 2.617 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@H]3C=CCCC3)CC2)C[C@@H](C)O1 ZINC000066497965 524938846 /nfs/dbraw/zinc/93/88/46/524938846.db2.gz RRNMFSSDKFNECE-NUJGCVRESA-N 2 0 292.467 2.916 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000168619191 525024736 /nfs/dbraw/zinc/02/47/36/525024736.db2.gz JPGNGDCFICMTPL-PWSUYJOCSA-N 2 0 288.313 2.754 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000334856780 525095823 /nfs/dbraw/zinc/09/58/23/525095823.db2.gz KYTQOJMBKRZDGK-CXAGYDPISA-N 2 0 254.377 2.927 20 0 CFADRP CSC1(C[NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000310259645 525330608 /nfs/dbraw/zinc/33/06/08/525330608.db2.gz CFONPURFEXURML-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@]1(C)CCCO1 ZINC000340355323 525422445 /nfs/dbraw/zinc/42/24/45/525422445.db2.gz XRCZGRCWWQTNTK-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1Br ZINC000235208269 525434765 /nfs/dbraw/zinc/43/47/65/525434765.db2.gz WWUCDBQQRTWXII-SECBINFHSA-N 2 0 289.192 2.978 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000049577405 525442140 /nfs/dbraw/zinc/44/21/40/525442140.db2.gz NCQITMZPAKZMFJ-NSHDSACASA-N 2 0 268.351 2.785 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)ccc2[nH]1 ZINC000335011413 525639971 /nfs/dbraw/zinc/63/99/71/525639971.db2.gz RTYXURFWXZWNJP-WBMJQRKESA-N 2 0 271.408 2.954 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000361034026 525813249 /nfs/dbraw/zinc/81/32/49/525813249.db2.gz WFBKUCGTZAMYQJ-HOTGVXAUSA-N 2 0 292.467 2.894 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000222038894 525903551 /nfs/dbraw/zinc/90/35/51/525903551.db2.gz VIHNYJNNJFVFBS-GRDNDAEWSA-N 2 0 276.424 2.556 20 0 CFADRP CSc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049553597 526004905 /nfs/dbraw/zinc/00/49/05/526004905.db2.gz GJVRFDDXMOZRHF-LBPRGKRZSA-N 2 0 252.427 2.838 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000193285685 526109253 /nfs/dbraw/zinc/10/92/53/526109253.db2.gz PMHNUJXVUZLMBP-HLVVYCRESA-N 2 0 279.453 2.770 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)c[nH]c2c1 ZINC000360945723 526126322 /nfs/dbraw/zinc/12/63/22/526126322.db2.gz FVLONTBBTPMEEY-RHSMWYFYSA-N 2 0 285.435 2.949 20 0 CFADRP Cc1c[nH+]ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000192504048 526236137 /nfs/dbraw/zinc/23/61/37/526236137.db2.gz LYQDBDKKPDDFLZ-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000309707231 526470260 /nfs/dbraw/zinc/47/02/60/526470260.db2.gz IFBDOVPSFYTOBP-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000307564956 526471656 /nfs/dbraw/zinc/47/16/56/526471656.db2.gz DULSPMFNURPKKR-ZACQAIPSSA-N 2 0 256.393 2.603 20 0 CFADRP CC(C)(C)c1nc(C[NH2+]CC[C@H]2CC[NH2+]C2)cs1 ZINC000414825382 526865095 /nfs/dbraw/zinc/86/50/95/526865095.db2.gz CCGHEPZQCZFYMM-LLVKDONJSA-N 2 0 267.442 2.530 20 0 CFADRP CC(C)(C[NH2+]CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000415076940 527170317 /nfs/dbraw/zinc/17/03/17/527170317.db2.gz CZABRVLJLRWXOE-UHFFFAOYSA-N 2 0 260.425 2.845 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000078492975 527194836 /nfs/dbraw/zinc/19/48/36/527194836.db2.gz ZVELLLIHJZNHMA-GFCCVEGCSA-N 2 0 292.814 2.549 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000084220595 527216630 /nfs/dbraw/zinc/21/66/30/527216630.db2.gz AZOAHKYIMSORCV-GXFFZTMASA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159302621 527232100 /nfs/dbraw/zinc/23/21/00/527232100.db2.gz XLGJBCOHFHWGHY-ZBFHGGJFSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000334866984 527348004 /nfs/dbraw/zinc/34/80/04/527348004.db2.gz XUVYEFUEJXRKSJ-SJORKVTESA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000334866981 527348364 /nfs/dbraw/zinc/34/83/64/527348364.db2.gz XUVYEFUEJXRKSJ-IAGOWNOFSA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159337197 527351785 /nfs/dbraw/zinc/35/17/85/527351785.db2.gz SPYAGBKEUXTNOR-HUUCEWRRSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOc3ccccc3)C[C@H]21 ZINC000228473179 527360277 /nfs/dbraw/zinc/36/02/77/527360277.db2.gz SQRIHMIMEUEDBP-USXIJHARSA-N 2 0 274.408 2.515 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCOc3ccccc3)C[C@H]12 ZINC000339406428 527373031 /nfs/dbraw/zinc/37/30/31/527373031.db2.gz HYVUYGDCNNETPM-BHYGNILZSA-N 2 0 274.408 2.515 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000334846218 527402867 /nfs/dbraw/zinc/40/28/67/527402867.db2.gz NKVQWBGLKYJPTQ-LSDHHAIUSA-N 2 0 255.365 2.594 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897196 527466967 /nfs/dbraw/zinc/46/69/67/527466967.db2.gz SFMRKHUWVNYGIP-QPJJXVBHSA-N 2 0 297.402 2.945 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414813507 527485044 /nfs/dbraw/zinc/48/50/44/527485044.db2.gz QXCXVYYYYJUMKT-RCCFBDPRSA-N 2 0 293.499 2.809 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000423144143 527486171 /nfs/dbraw/zinc/48/61/71/527486171.db2.gz GDMAWEHSJILEFV-BBWFWOEESA-N 2 0 280.456 2.704 20 0 CFADRP OCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000305366625 527533718 /nfs/dbraw/zinc/53/37/18/527533718.db2.gz VVUTUDLYCODTQK-HOTGVXAUSA-N 2 0 280.456 2.536 20 0 CFADRP OCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305335084 527544041 /nfs/dbraw/zinc/54/40/41/527544041.db2.gz NUEHKSMMOHGLLD-SQNIBIBYSA-N 2 0 288.435 2.717 20 0 CFADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423174628 527615275 /nfs/dbraw/zinc/61/52/75/527615275.db2.gz BMKYJEWEBJRPRK-BWPKMQGJSA-N 2 0 276.424 2.901 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000364827515 527631207 /nfs/dbraw/zinc/63/12/07/527631207.db2.gz AKNAGAPEMCVRBV-JKSUJKDBSA-N 2 0 290.455 2.522 20 0 CFADRP O[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000305168389 527672997 /nfs/dbraw/zinc/67/29/97/527672997.db2.gz TVBLORYVLYLKJY-MAUKXSAKSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422722118 527673396 /nfs/dbraw/zinc/67/33/96/527673396.db2.gz OVKLBDNVOIWTID-UONOGXRCSA-N 2 0 291.439 2.887 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423149027 527740825 /nfs/dbraw/zinc/74/08/25/527740825.db2.gz ADZBMXJSGRWYGP-MZBWOGCUSA-N 2 0 282.472 2.935 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)ccc2O1 ZINC000442918676 527770974 /nfs/dbraw/zinc/77/09/74/527770974.db2.gz DFPIAAQCKHHWNJ-AWEZNQCLSA-N 2 0 288.435 2.961 20 0 CFADRP CC(C)CCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414869868 527776516 /nfs/dbraw/zinc/77/65/16/527776516.db2.gz BIISFKZPDXFCCT-CQSZACIVSA-N 2 0 264.413 2.796 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422735150 527847325 /nfs/dbraw/zinc/84/73/25/527847325.db2.gz DKQGFZAEQQIMSQ-MAUKXSAKSA-N 3 0 289.467 2.616 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H]1Oc1ccccc1 ZINC000423215601 527870947 /nfs/dbraw/zinc/87/09/47/527870947.db2.gz QVGFLTUDDORLGY-USXIJHARSA-N 2 0 288.435 2.822 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000422841921 527951606 /nfs/dbraw/zinc/95/16/06/527951606.db2.gz XGQBYTKJHUOXQP-LVQVYYBASA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422815245 527963505 /nfs/dbraw/zinc/96/35/05/527963505.db2.gz BBCQLHNTBXUDJV-KZNAEPCWSA-N 2 0 293.499 2.617 20 0 CFADRP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000423012474 527979081 /nfs/dbraw/zinc/97/90/81/527979081.db2.gz DCROPIRZSQCILG-SJPCQFCGSA-N 2 0 270.420 2.664 20 0 CFADRP CC1(C[NH2+]C/C=C/c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000414899545 527979101 /nfs/dbraw/zinc/97/91/01/527979101.db2.gz HGQRKCVKIRXIPA-NSCUHMNNSA-N 2 0 280.362 2.957 20 0 CFADRP CC1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423340894 527988384 /nfs/dbraw/zinc/98/83/84/527988384.db2.gz VYHNHYHYFRRIOW-QGZVFWFLSA-N 2 0 272.436 2.987 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000422806603 528051547 /nfs/dbraw/zinc/05/15/47/528051547.db2.gz ILXJRVUTFSOTIK-KBAYOESNSA-N 2 0 292.467 2.986 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423335978 528131023 /nfs/dbraw/zinc/13/10/23/528131023.db2.gz SIJPGWBIYCIYID-HUUCEWRRSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423260302 528131058 /nfs/dbraw/zinc/13/10/58/528131058.db2.gz PXCVFLOMLPJEBA-BZUAXINKSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423260303 528132286 /nfs/dbraw/zinc/13/22/86/528132286.db2.gz PXCVFLOMLPJEBA-HRCADAONSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422720698 528150110 /nfs/dbraw/zinc/15/01/10/528150110.db2.gz MSMAHDISTPVQGE-HUUCEWRRSA-N 2 0 290.451 2.992 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422863555 528153162 /nfs/dbraw/zinc/15/31/62/528153162.db2.gz RZLPAHGRFTYCKM-FUHWJXTLSA-N 2 0 290.451 2.981 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422835030 528163310 /nfs/dbraw/zinc/16/33/10/528163310.db2.gz XYDWZCAMYFYCQG-QWHCGFSZSA-N 2 0 250.386 2.689 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422835024 528164175 /nfs/dbraw/zinc/16/41/75/528164175.db2.gz XYDWZCAMYFYCQG-CHWSQXEVSA-N 2 0 250.386 2.689 20 0 CFADRP CC1CCC(C)(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423088002 528170481 /nfs/dbraw/zinc/17/04/81/528170481.db2.gz QURGZUWGPUEZRO-NNCLKIPCSA-N 2 0 294.483 2.950 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414714920 528172378 /nfs/dbraw/zinc/17/23/78/528172378.db2.gz QPJTWCPUYSSKLZ-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422744173 528184283 /nfs/dbraw/zinc/18/42/83/528184283.db2.gz VPPGWDZRIOFCKH-GOEBONIOSA-N 2 0 276.424 2.938 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422690032 528195505 /nfs/dbraw/zinc/19/55/05/528195505.db2.gz GBPIMDLHSSMTAE-LSDHHAIUSA-N 3 0 277.456 2.744 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414265925 528202068 /nfs/dbraw/zinc/20/20/68/528202068.db2.gz LZABOLCOPLPKLH-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414802386 528204699 /nfs/dbraw/zinc/20/46/99/528204699.db2.gz BIJAQHNPITUXQL-AWEZNQCLSA-N 2 0 275.440 2.670 20 0 CFADRP CC(C)c1cnc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000414829945 528216878 /nfs/dbraw/zinc/21/68/78/528216878.db2.gz BQTWBVQFJNTOIB-LBPRGKRZSA-N 2 0 267.442 2.746 20 0 CFADRP CCC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423212098 528219417 /nfs/dbraw/zinc/21/94/17/528219417.db2.gz ZRLUIRIPANPICJ-INIZCTEOSA-N 2 0 295.858 2.676 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415024666 528227025 /nfs/dbraw/zinc/22/70/25/528227025.db2.gz PIABPCMFFAMSQO-CYBMUJFWSA-N 2 0 250.386 2.691 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414905934 528227077 /nfs/dbraw/zinc/22/70/77/528227077.db2.gz PGMPNGJGHNOHBH-KRWDZBQOSA-N 2 0 276.424 2.953 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422740027 528234952 /nfs/dbraw/zinc/23/49/52/528234952.db2.gz MBJUCTCCMRAUAT-KBPBESRZSA-N 2 0 289.427 2.678 20 0 CFADRP CCCCCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414892324 528236206 /nfs/dbraw/zinc/23/62/06/528236206.db2.gz WWBUSZMACPVVMB-AWEZNQCLSA-N 2 0 264.413 2.940 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423114308 528236871 /nfs/dbraw/zinc/23/68/71/528236871.db2.gz VDUNKDDFCGSZMK-BSDSXHPESA-N 2 0 293.499 2.761 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422878436 528237856 /nfs/dbraw/zinc/23/78/56/528237856.db2.gz JDMDMDJVTRJOIU-DLBZAZTESA-N 3 0 281.488 2.606 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967688 528246255 /nfs/dbraw/zinc/24/62/55/528246255.db2.gz CGBVAXFSIRDUQB-JYJNAYRXSA-N 2 0 293.455 2.783 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cs1 ZINC000422903691 528273973 /nfs/dbraw/zinc/27/39/73/528273973.db2.gz OWEKARXCANWJMU-OCCSQVGLSA-N 2 0 281.469 2.787 20 0 CFADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414853310 528276875 /nfs/dbraw/zinc/27/68/75/528276875.db2.gz RWZYMWHHEKCABU-AWEZNQCLSA-N 2 0 292.423 2.573 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423123616 528354750 /nfs/dbraw/zinc/35/47/50/528354750.db2.gz NAZVRKCFXFOQID-ZIAGYGMSSA-N 2 0 292.471 2.620 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423171835 528412904 /nfs/dbraw/zinc/41/29/04/528412904.db2.gz QEDSJLBUGVFSGG-YIDVYQOGSA-N 2 0 250.430 2.931 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414989053 528457069 /nfs/dbraw/zinc/45/70/69/528457069.db2.gz GMUAJOYZNDDFSI-GJZGRUSLSA-N 2 0 262.397 2.692 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414904669 528457661 /nfs/dbraw/zinc/45/76/61/528457661.db2.gz NRMXBBCGUJCMLD-MRXNPFEDSA-N 2 0 262.397 2.565 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000423106701 528458961 /nfs/dbraw/zinc/45/89/61/528458961.db2.gz OTVGGBWVMOIVES-WCQYABFASA-N 2 0 282.815 2.826 20 0 CFADRP CCN(CCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422785664 528460168 /nfs/dbraw/zinc/46/01/68/528460168.db2.gz NQLKVOSEDQIUPW-WMZOPIPTSA-N 2 0 289.467 2.881 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+]1CCCCCC1 ZINC000422962174 528461796 /nfs/dbraw/zinc/46/17/96/528461796.db2.gz FEOTUBSJFHWLEF-DAWZGUTISA-N 3 0 295.515 2.994 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000415063427 528462296 /nfs/dbraw/zinc/46/22/96/528462296.db2.gz PBQLLRRFYSGPNI-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829696 528463456 /nfs/dbraw/zinc/46/34/56/528463456.db2.gz HRSIOFIDVRNNAU-UAGQMJEPSA-N 2 0 275.440 2.941 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422740132 528473392 /nfs/dbraw/zinc/47/33/92/528473392.db2.gz MMMFYRAVSNFKIQ-CVEARBPZSA-N 2 0 269.477 2.748 20 0 CFADRP CCN(CC[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1C ZINC000422884971 528508457 /nfs/dbraw/zinc/50/84/57/528508457.db2.gz SUYUGVPDRRASTI-UHFFFAOYSA-N 2 0 289.467 2.928 20 0 CFADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414877454 528514107 /nfs/dbraw/zinc/51/41/07/528514107.db2.gz XPFKNWRICYBUCD-SJLPKXTDSA-N 2 0 289.467 2.629 20 0 CFADRP CC[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000422875178 528516512 /nfs/dbraw/zinc/51/65/12/528516512.db2.gz CDQNMYBQLMIWQP-GVDBMIGSSA-N 2 0 281.488 2.617 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1C ZINC000422877763 528516886 /nfs/dbraw/zinc/51/68/86/528516886.db2.gz IFMXEFMPBCEDDM-WBVHZDCISA-N 2 0 289.467 2.799 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(C)c1 ZINC000422765781 528518224 /nfs/dbraw/zinc/51/82/24/528518224.db2.gz LDVIEWAUSYUJRS-WBVHZDCISA-N 2 0 275.440 2.538 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000422709543 528578562 /nfs/dbraw/zinc/57/85/62/528578562.db2.gz KOWXLBAPXCHWHZ-OLZOCXBDSA-N 2 0 252.406 2.632 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cn1 ZINC000422708862 528579158 /nfs/dbraw/zinc/57/91/58/528579158.db2.gz JSSKFZGESYNJNE-HZSPNIEDSA-N 2 0 264.417 2.503 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1OCC ZINC000423299660 528607424 /nfs/dbraw/zinc/60/74/24/528607424.db2.gz QJFUSRSVXBMAAT-STQMWFEESA-N 2 0 280.412 2.729 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CCC(C)C)CC[NH2+]CC1 ZINC000422737270 528613439 /nfs/dbraw/zinc/61/34/39/528613439.db2.gz ZLTRPBNHYXVXAJ-GJZGRUSLSA-N 2 0 298.471 2.722 20 0 CFADRP CCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422859444 528618924 /nfs/dbraw/zinc/61/89/24/528618924.db2.gz KEHDBOGBJVXNFC-ZIAGYGMSSA-N 2 0 264.413 2.999 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422931903 528631962 /nfs/dbraw/zinc/63/19/62/528631962.db2.gz YKFQIYBODRTNJG-BFHYXJOUSA-N 2 0 256.434 2.545 20 0 CFADRP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000422884573 528633741 /nfs/dbraw/zinc/63/37/41/528633741.db2.gz FEZVWTRRULAWIR-XYPWUTKMSA-N 2 0 280.456 2.846 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCCC1 ZINC000422892583 528636526 /nfs/dbraw/zinc/63/65/26/528636526.db2.gz YTMQKFYRBHUXNX-HOTGVXAUSA-N 2 0 282.472 2.951 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000422820837 528641643 /nfs/dbraw/zinc/64/16/43/528641643.db2.gz SNLWMRFBDZJTOH-LJISPDSOSA-N 2 0 268.445 2.687 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1(C)C ZINC000422819904 528643576 /nfs/dbraw/zinc/64/35/76/528643576.db2.gz OFKXVRUCZWAVBP-FXUDXRNXSA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000414845353 528668947 /nfs/dbraw/zinc/66/89/47/528668947.db2.gz SMEQQVFCJKPGPH-CYBMUJFWSA-N 2 0 281.469 2.821 20 0 CFADRP CCCc1csc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000415025486 528670245 /nfs/dbraw/zinc/67/02/45/528670245.db2.gz QFKYDNUPWKUIDE-JOCQHMNTSA-N 2 0 281.469 2.950 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000414110584 528670826 /nfs/dbraw/zinc/67/08/26/528670826.db2.gz IDDLKRIPYZHKLT-HHARLNAUSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414921808 528671893 /nfs/dbraw/zinc/67/18/93/528671893.db2.gz FZFPOPPCJDBIRY-NEPJUHHUSA-N 2 0 267.442 2.701 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1OCC ZINC000414881782 528686171 /nfs/dbraw/zinc/68/61/71/528686171.db2.gz KQJLCSXBFNODFY-ZDUSSCGKSA-N 2 0 280.412 2.559 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414826561 528686451 /nfs/dbraw/zinc/68/64/51/528686451.db2.gz FRSDLLFMKVODNS-CQSZACIVSA-N 2 0 292.423 2.573 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414831107 528686799 /nfs/dbraw/zinc/68/67/99/528686799.db2.gz PNTPVXICQQGKFB-HNNXBMFYSA-N 2 0 292.423 2.573 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000423068665 528688362 /nfs/dbraw/zinc/68/83/62/528688362.db2.gz KKKMBYVYEKCHJS-KBPBESRZSA-N 2 0 264.413 2.999 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422782028 528689170 /nfs/dbraw/zinc/68/91/70/528689170.db2.gz MMWCXUQYPMVASK-AVGNSLFASA-N 2 0 250.386 2.862 20 0 CFADRP CCCCOc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414842787 528701856 /nfs/dbraw/zinc/70/18/56/528701856.db2.gz ZIQRDGYJORQZPQ-HNNXBMFYSA-N 2 0 276.424 2.955 20 0 CFADRP CCCCOc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414842788 528702084 /nfs/dbraw/zinc/70/20/84/528702084.db2.gz ZIQRDGYJORQZPQ-OAHLLOKOSA-N 2 0 276.424 2.955 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423293823 528724730 /nfs/dbraw/zinc/72/47/30/528724730.db2.gz AVCNLLVGQLBPBK-STQMWFEESA-N 2 0 250.386 2.721 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414800996 528758015 /nfs/dbraw/zinc/75/80/15/528758015.db2.gz SSTLOKGHMAKFTI-GDBMZVCRSA-N 2 0 262.397 2.692 20 0 CFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422870714 528845336 /nfs/dbraw/zinc/84/53/36/528845336.db2.gz XYWDEHHAUBPNPO-GJZGRUSLSA-N 2 0 294.439 2.626 20 0 CFADRP CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000422815013 528853763 /nfs/dbraw/zinc/85/37/63/528853763.db2.gz AMMALMWUDSSJTQ-WFFDWFOESA-N 2 0 293.499 2.760 20 0 CFADRP CCC(CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814892 528855517 /nfs/dbraw/zinc/85/55/17/528855517.db2.gz AKABWNIUGKSYGR-XIRDDKMYSA-N 2 0 281.488 2.617 20 0 CFADRP CCC(CC)[C@H](CN[C@H](C)c1c[nH+]ccc1N)[NH+](C)C ZINC000422964882 528855594 /nfs/dbraw/zinc/85/55/94/528855594.db2.gz MYEWZZYSNRMXKA-WBMJQRKESA-N 2 0 278.444 2.511 20 0 CFADRP CCC(CC)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422821626 528855770 /nfs/dbraw/zinc/85/57/70/528855770.db2.gz XNQFFJFXQZJNAA-YCPHGPKFSA-N 2 0 269.477 2.602 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423289711 528950820 /nfs/dbraw/zinc/95/08/20/528950820.db2.gz BQDMMJWAFRBWEN-IAGOWNOFSA-N 2 0 289.467 2.929 20 0 CFADRP CCCC[C@H](C[NH3+])NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414809467 528953201 /nfs/dbraw/zinc/95/32/01/528953201.db2.gz GQWBPTLHPNWSQN-CYBMUJFWSA-N 2 0 295.393 2.510 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414812714 528953257 /nfs/dbraw/zinc/95/32/57/528953257.db2.gz RMWQHVNFKOTESM-NVXWUHKLSA-N 2 0 289.467 2.614 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000423292163 528954161 /nfs/dbraw/zinc/95/41/61/528954161.db2.gz LTAPAHSLAJALSI-GJZGRUSLSA-N 2 0 298.471 2.996 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414812646 528956881 /nfs/dbraw/zinc/95/68/81/528956881.db2.gz LDLSGFOCUPSSAV-BRWVUGGUSA-N 2 0 275.440 2.587 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824961 528961965 /nfs/dbraw/zinc/96/19/65/528961965.db2.gz BNELLGYGWPVDIJ-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824964 528962381 /nfs/dbraw/zinc/96/23/81/528962381.db2.gz BNELLGYGWPVDIJ-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860150 528966691 /nfs/dbraw/zinc/96/66/91/528966691.db2.gz OJTXJFBYOQDBJG-CQSZACIVSA-N 2 0 256.434 2.833 20 0 CFADRP CC[NH+]1CCC(N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414943155 528988421 /nfs/dbraw/zinc/98/84/21/528988421.db2.gz NLEQVFOQXPARAH-IBGZPJMESA-N 2 0 297.446 2.914 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422911846 529004222 /nfs/dbraw/zinc/00/42/22/529004222.db2.gz UNNKUWHFIQOQJV-XYPHTWIQSA-N 2 0 273.424 2.595 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834112 529014726 /nfs/dbraw/zinc/01/47/26/529014726.db2.gz NIBMQGNPDDHLKM-BPUTZDHNSA-N 2 0 261.413 2.551 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423285006 529069548 /nfs/dbraw/zinc/06/95/48/529069548.db2.gz YRCLVKKILKECFX-SWLSCSKDSA-N 2 0 260.381 2.937 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414798312 529070587 /nfs/dbraw/zinc/07/05/87/529070587.db2.gz QDEWUDGWMJFXEK-GVDBMIGSSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423267347 529072284 /nfs/dbraw/zinc/07/22/84/529072284.db2.gz FJRVCGBVTLYIPE-DJIMGWMZSA-N 2 0 276.424 2.727 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)(C)O ZINC000423079610 529125434 /nfs/dbraw/zinc/12/54/34/529125434.db2.gz QZSGOMHHCYICIL-KKUMJFAQSA-N 2 0 270.461 2.682 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC1(C)C ZINC000414115518 529159133 /nfs/dbraw/zinc/15/91/33/529159133.db2.gz NCRKJIMTFIKNBU-DLBZAZTESA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422909340 529217174 /nfs/dbraw/zinc/21/71/74/529217174.db2.gz NUNKJNKLEUQRIV-OWCLPIDISA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178920303 529297046 /nfs/dbraw/zinc/29/70/46/529297046.db2.gz WXHGHBRRWXEXEJ-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)C[C@H](C)[NH3+])C1 ZINC000422909663 529298085 /nfs/dbraw/zinc/29/80/85/529298085.db2.gz ONUQWDOTDVSRRI-RRFJBIMHSA-N 2 0 269.477 2.602 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1ccccc1Cl ZINC000422837138 529370900 /nfs/dbraw/zinc/37/09/00/529370900.db2.gz LOIDPMJLWGLRHC-BNOWGMLFSA-N 2 0 282.815 2.967 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000446887939 535249611 /nfs/dbraw/zinc/24/96/11/535249611.db2.gz ANUPZQVDGKECQP-GDBMZVCRSA-N 2 0 282.497 2.981 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447540784 535698510 /nfs/dbraw/zinc/69/85/10/535698510.db2.gz KMCJZSCUEULSAR-HNNXBMFYSA-N 2 0 293.455 2.575 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000269056245 535831538 /nfs/dbraw/zinc/83/15/38/535831538.db2.gz WTAXQAVZAFLALL-MRXNPFEDSA-N 2 0 278.465 2.948 20 0 CFADRP CCc1cc(N2CCC([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000450258683 536144138 /nfs/dbraw/zinc/14/41/38/536144138.db2.gz BGDYQZROLIMFOE-UHFFFAOYSA-N 2 0 259.397 2.709 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000459732065 536383796 /nfs/dbraw/zinc/38/37/96/536383796.db2.gz MAEYDFDRBYXVLX-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000459723940 536384225 /nfs/dbraw/zinc/38/42/25/536384225.db2.gz DJLIYAJHHFJXRS-QGZVFWFLSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000459794885 536384826 /nfs/dbraw/zinc/38/48/26/536384826.db2.gz UVQXLVBTEYDETO-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000459733117 536386229 /nfs/dbraw/zinc/38/62/29/536386229.db2.gz GJFHFTKUVIVGGQ-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000435375611 536518735 /nfs/dbraw/zinc/51/87/35/536518735.db2.gz VTUKCAZWRGWOGO-GUTXKFCHSA-N 2 0 294.414 2.682 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000268998245 536667641 /nfs/dbraw/zinc/66/76/41/536667641.db2.gz KYEOPBSCVULJDN-HNNXBMFYSA-N 2 0 294.439 2.532 20 0 CFADRP COC1(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)CCCC1 ZINC000359950582 536680367 /nfs/dbraw/zinc/68/03/67/536680367.db2.gz SOTIBUMNJKZONR-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453056818 536894024 /nfs/dbraw/zinc/89/40/24/536894024.db2.gz LPNDCYPJTMECSA-KSZLIROESA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cccc(CC2C[NH+](Cc3cnc4n3CCC4)C2)c1 ZINC000668230525 545496761 /nfs/dbraw/zinc/49/67/61/545496761.db2.gz VJHUWRDPAUESQY-UHFFFAOYSA-N 2 0 281.403 2.812 20 0 CFADRP CC(C)OCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000228812141 545497474 /nfs/dbraw/zinc/49/74/74/545497474.db2.gz MFWFTDOBEKEYOE-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000070090099 545499589 /nfs/dbraw/zinc/49/95/89/545499589.db2.gz RXMULBFQRAVWJG-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000729265323 574194626 /nfs/dbraw/zinc/19/46/26/574194626.db2.gz AFWIIDDLNKMKSG-UHFFFAOYSA-N 2 0 276.424 2.647 20 0 CFADRP CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CCN(C)C2)ccc1OC ZINC000729681666 574227912 /nfs/dbraw/zinc/22/79/12/574227912.db2.gz HJRVYYXUOXTRQY-HIFRSBDPSA-N 2 0 292.423 2.666 20 0 CFADRP CCCCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000749115650 574280582 /nfs/dbraw/zinc/28/05/82/574280582.db2.gz JTOSKXRZTIYBFG-CABCVRRESA-N 2 0 284.444 2.524 20 0 CFADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CSC3)C2)cc1 ZINC000396463016 574355087 /nfs/dbraw/zinc/35/50/87/574355087.db2.gz QUYOPNQKROFGDC-MRXNPFEDSA-N 2 0 290.476 2.994 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000396465087 574355614 /nfs/dbraw/zinc/35/56/14/574355614.db2.gz OSJVSKWBSFTGIC-LBPRGKRZSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCO1 ZINC000753670561 574407876 /nfs/dbraw/zinc/40/78/76/574407876.db2.gz AOQHPSFWNABLGC-RDHHWEPZSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(CCC(=O)C(C)(C)C)C1 ZINC000753733405 574409049 /nfs/dbraw/zinc/40/90/49/574409049.db2.gz PXZVUJJLUBHEDM-CQSZACIVSA-N 2 0 268.445 2.655 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924773293 620652413 /nfs/dbraw/zinc/65/24/13/620652413.db2.gz JPWCNKSOLUFKLS-YZDRTPDPSA-N 2 0 268.445 2.652 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)nc1C ZINC000960762999 614859051 /nfs/dbraw/zinc/85/90/51/614859051.db2.gz MOGYEQBKHQGWAH-HNNXBMFYSA-N 2 0 289.423 2.563 20 0 CFADRP Cc1ccc(C[N@@H+](CC2CC[NH+](C)CC2)C2CC2)o1 ZINC000891591820 617679093 /nfs/dbraw/zinc/67/90/93/617679093.db2.gz GKDYPZIKIDSVLC-UHFFFAOYSA-N 2 0 262.397 2.894 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000891672876 617702821 /nfs/dbraw/zinc/70/28/21/617702821.db2.gz YZBJRZRZIXMFPO-OAHLLOKOSA-N 2 0 276.424 2.777 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000891775485 617746230 /nfs/dbraw/zinc/74/62/30/617746230.db2.gz PGAXKMQLGYRORO-UHFFFAOYSA-N 2 0 288.435 2.785 20 0 CFADRP C[C@@H](C[NH+]1CCCCC1)Nc1cc(N)[nH+]cc1Cl ZINC000891794099 617757249 /nfs/dbraw/zinc/75/72/49/617757249.db2.gz UKEYUTOZFVIREP-JTQLQIEISA-N 2 0 268.792 2.604 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(c3ccccn3)CC2)CC1 ZINC000891797559 617759133 /nfs/dbraw/zinc/75/91/33/617759133.db2.gz VWXLOJLCHRUTAZ-UHFFFAOYSA-N 2 0 273.424 2.603 20 0 CFADRP Cc1ccccc1OCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933743068 617767834 /nfs/dbraw/zinc/76/78/34/617767834.db2.gz VMIHNJMQEZGVLF-AEFFLSMTSA-N 2 0 288.435 2.647 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000933878555 617803968 /nfs/dbraw/zinc/80/39/68/617803968.db2.gz LNLCSOXQONUSQE-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000891934474 617834823 /nfs/dbraw/zinc/83/48/23/617834823.db2.gz UJXQUALAKSTDJH-UHFFFAOYSA-N 2 0 292.471 2.854 20 0 CFADRP C[N@@H+](Cc1cc(O)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000891934491 617835555 /nfs/dbraw/zinc/83/55/55/617835555.db2.gz UXAUIZJZBBWHRN-UHFFFAOYSA-N 2 0 282.815 2.819 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1=CCCC1 ZINC000308753798 617837752 /nfs/dbraw/zinc/83/77/52/617837752.db2.gz HJEXBXJWBCHEBZ-AMSCCUFHSA-N 2 0 260.425 2.709 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000261991633 617852032 /nfs/dbraw/zinc/85/20/32/617852032.db2.gz KHSGLDGDNBDPCT-BBRMVZONSA-N 2 0 262.372 2.615 20 0 CFADRP C([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311397 617877569 /nfs/dbraw/zinc/87/75/69/617877569.db2.gz YCGYPWCOQXWPJG-WMZOPIPTSA-N 2 0 292.467 2.656 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311511 617879134 /nfs/dbraw/zinc/87/91/34/617879134.db2.gz YVULNWGJFDEGEA-RDJZCZTQSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cc(N)nc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000891963593 617881268 /nfs/dbraw/zinc/88/12/68/617881268.db2.gz KCPFSRUKNGRURQ-HIFRSBDPSA-N 2 0 297.406 2.615 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000892036243 617921638 /nfs/dbraw/zinc/92/16/38/617921638.db2.gz JIKVOTYTCVYWEA-UHFFFAOYSA-N 2 0 262.372 2.526 20 0 CFADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000892101477 617949724 /nfs/dbraw/zinc/94/97/24/617949724.db2.gz MRJBDKSLRAISAD-ZACQAIPSSA-N 2 0 294.483 2.854 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926419293 618084976 /nfs/dbraw/zinc/08/49/76/618084976.db2.gz SEXAYXLUZDHZIB-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCCCC[NH3+])C1 ZINC000846219857 618097671 /nfs/dbraw/zinc/09/76/71/618097671.db2.gz ADOSSLJTUZIWRH-HOCLYGCPSA-N 2 0 270.461 2.672 20 0 CFADRP COc1cccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC000051919572 618104955 /nfs/dbraw/zinc/10/49/55/618104955.db2.gz CZQMVPLRYRGPOE-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000926113322 618111119 /nfs/dbraw/zinc/11/11/19/618111119.db2.gz FILPBPOXVCJYLP-UHFFFAOYSA-N 3 0 295.515 2.818 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CCC[NH2+]C1CC1 ZINC000088194391 618130747 /nfs/dbraw/zinc/13/07/47/618130747.db2.gz BABHKZNUFJFBCZ-CQSZACIVSA-N 2 0 276.424 2.700 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926453733 618130808 /nfs/dbraw/zinc/13/08/08/618130808.db2.gz UOXZHWGNRRHUOL-MGPQQGTHSA-N 2 0 264.413 2.822 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934840375 618146756 /nfs/dbraw/zinc/14/67/56/618146756.db2.gz CAXXBURWTLEBIZ-FGTMMUONSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933081865 618150668 /nfs/dbraw/zinc/15/06/68/618150668.db2.gz RHBYTFXAUPKMQK-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000926488269 618156377 /nfs/dbraw/zinc/15/63/77/618156377.db2.gz YHMBMQJLESTYRY-CQSZACIVSA-N 2 0 293.459 2.523 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933252291 618176535 /nfs/dbraw/zinc/17/65/35/618176535.db2.gz VKUXTKGLKXLYME-KRWDZBQOSA-N 2 0 292.471 2.634 20 0 CFADRP CCC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)COC1 ZINC000926542718 618191702 /nfs/dbraw/zinc/19/17/02/618191702.db2.gz UUCRIJRHVQDEHG-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CCOc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091844781 618202470 /nfs/dbraw/zinc/20/24/70/618202470.db2.gz WSWKGWNDLSKPBH-UHFFFAOYSA-N 2 0 262.397 2.787 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC(C)(C)C1 ZINC000075800840 618202764 /nfs/dbraw/zinc/20/27/64/618202764.db2.gz VCCQZZRYWPBGDU-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197786 618208605 /nfs/dbraw/zinc/20/86/05/618208605.db2.gz HCLQQRDBCWCYDS-AWEZNQCLSA-N 2 0 250.411 2.712 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CSCCS2)c2ccccc21 ZINC000253021803 618214416 /nfs/dbraw/zinc/21/44/16/618214416.db2.gz KPWUOYDKVBMQSB-GDLCADMTSA-N 2 0 280.462 2.569 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000235250462 618219732 /nfs/dbraw/zinc/21/97/32/618219732.db2.gz FWKRTUCRTUWTEL-GOEBONIOSA-N 2 0 291.464 2.924 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C1CCC([NH3+])CC1 ZINC000310008694 618249809 /nfs/dbraw/zinc/24/98/09/618249809.db2.gz JFYIMWSPWFBYIB-UHFFFAOYSA-N 2 0 276.424 2.795 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000925572275 618253058 /nfs/dbraw/zinc/25/30/58/618253058.db2.gz LQUOQASDUKFKDH-JNTJZFBISA-N 2 0 270.420 2.723 20 0 CFADRP Cc1ccsc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893289191 618256299 /nfs/dbraw/zinc/25/62/99/618256299.db2.gz GTRIMYRNTZFKMC-UHFFFAOYSA-N 2 0 252.427 2.530 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925576675 618260115 /nfs/dbraw/zinc/26/01/15/618260115.db2.gz YQESSIYNACPFPL-GOEBONIOSA-N 2 0 278.440 2.853 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925587388 618272559 /nfs/dbraw/zinc/27/25/59/618272559.db2.gz YNLGLJNKJPMNQH-HOTGVXAUSA-N 2 0 274.408 2.542 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000843341489 618273635 /nfs/dbraw/zinc/27/36/35/618273635.db2.gz IURCNDFFFMMZCT-OWCLPIDISA-N 2 0 268.445 2.690 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](CO)CC(C)(C)C)CC1 ZINC000925589405 618274813 /nfs/dbraw/zinc/27/48/13/618274813.db2.gz YJZRCJQURGMOJP-MRXNPFEDSA-N 2 0 284.488 2.884 20 0 CFADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1C ZINC000262115632 618280182 /nfs/dbraw/zinc/28/01/82/618280182.db2.gz WVNSQVBHCLMHHY-UHFFFAOYSA-N 2 0 274.408 2.579 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccc(OC(F)F)cc2)CC1 ZINC000892447044 618282293 /nfs/dbraw/zinc/28/22/93/618282293.db2.gz NLYZTQXDEFEHGS-UHFFFAOYSA-N 2 0 298.377 2.762 20 0 CFADRP COC1CCC(C[NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000894045518 618287272 /nfs/dbraw/zinc/28/72/72/618287272.db2.gz IFRYKKWQFWKOGW-WIHSUSGWSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000925602426 618290000 /nfs/dbraw/zinc/29/00/00/618290000.db2.gz SVRPYCKXZVOONL-IRXDYDNUSA-N 2 0 272.436 2.897 20 0 CFADRP Cc1cc(F)ncc1CNCCC[NH+]1CCC(C)CC1 ZINC000892460235 618297167 /nfs/dbraw/zinc/29/71/67/618297167.db2.gz PHWCHFUVFGJGAQ-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925607515 618298810 /nfs/dbraw/zinc/29/88/10/618298810.db2.gz CFXLVHASYAEPPC-YUELXQCFSA-N 2 0 276.424 2.819 20 0 CFADRP C[C@H]1CC[C@@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110598 618306391 /nfs/dbraw/zinc/30/63/91/618306391.db2.gz QDVQKDVWAPLXRR-AJNGGQMLSA-N 2 0 259.397 2.956 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610096 618306573 /nfs/dbraw/zinc/30/65/73/618306573.db2.gz YWNIZKYRMUQZRR-NKKGCODLSA-N 2 0 288.435 2.689 20 0 CFADRP C[C@@H](C1CC1)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113195 618314078 /nfs/dbraw/zinc/31/40/78/618314078.db2.gz UZQWSBLRPRSNJT-QEJZJMRPSA-N 2 0 259.397 2.956 20 0 CFADRP CCC1(O)CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615558 618318746 /nfs/dbraw/zinc/31/87/46/618318746.db2.gz OKQWLDKKIXJPDM-REWIBIJMSA-N 2 0 268.445 2.566 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)C12CCC2 ZINC000925616326 618321393 /nfs/dbraw/zinc/32/13/93/618321393.db2.gz QXUSSGPFQUNUIR-YVSFHVDLSA-N 2 0 286.419 2.624 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccco1 ZINC000925616395 618321997 /nfs/dbraw/zinc/32/19/97/618321997.db2.gz LMEKELPCOHABEC-VNQPRFMTSA-N 2 0 291.439 2.522 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(F)c2)C[C@H](C)O1 ZINC000067453016 618323104 /nfs/dbraw/zinc/32/31/04/618323104.db2.gz CNMQJUZJFNZPRR-GJZGRUSLSA-N 2 0 294.414 2.805 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925620330 618333826 /nfs/dbraw/zinc/33/38/26/618333826.db2.gz ULJMHLJZKBEBKU-DLBZAZTESA-N 2 0 296.418 2.540 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925621619 618337555 /nfs/dbraw/zinc/33/75/55/618337555.db2.gz FRSLOVPJGOYSPY-KSZLIROESA-N 2 0 296.499 2.932 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925621695 618338424 /nfs/dbraw/zinc/33/84/24/618338424.db2.gz MDPHAHZKAJDXSZ-DZGCQCFKSA-N 2 0 281.488 2.745 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccnc(OC)c1F ZINC000893321849 618341319 /nfs/dbraw/zinc/34/13/19/618341319.db2.gz HSUFIKXUYUMNDH-ZDUSSCGKSA-N 2 0 297.418 2.829 20 0 CFADRP C[C@H]([NH3+])[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000925622590 618341382 /nfs/dbraw/zinc/34/13/82/618341382.db2.gz RCIFSVUXXYZHDR-YOEHRIQHSA-N 2 0 289.467 2.927 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1 ZINC000925623863 618343969 /nfs/dbraw/zinc/34/39/69/618343969.db2.gz UHTAEDIQGRUPMH-RTBURBONSA-N 2 0 298.430 2.832 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262144651 618348517 /nfs/dbraw/zinc/34/85/17/618348517.db2.gz ZLFJPVPIIHNTBH-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925626279 618349501 /nfs/dbraw/zinc/34/95/01/618349501.db2.gz PIBCDFFAZIVMRR-CHWSQXEVSA-N 2 0 256.459 2.625 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627770 618352705 /nfs/dbraw/zinc/35/27/05/618352705.db2.gz DWOVOLHMVDTHJA-JZAWBGDQSA-N 2 0 294.483 2.946 20 0 CFADRP Oc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1F ZINC000925112721 618355331 /nfs/dbraw/zinc/35/53/31/618355331.db2.gz MKIBERPMVMTVPS-GJZGRUSLSA-N 2 0 278.371 2.638 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2cccs2)C12CCC2 ZINC000925628579 618355465 /nfs/dbraw/zinc/35/54/65/618355465.db2.gz DNSJEXXARKDRCU-STQMWFEESA-N 2 0 250.411 2.540 20 0 CFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000925629860 618356569 /nfs/dbraw/zinc/35/65/69/618356569.db2.gz LZBJXSRUOCBLLC-YOEHRIQHSA-N 2 0 270.420 2.666 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925632852 618364300 /nfs/dbraw/zinc/36/43/00/618364300.db2.gz BQHVKQLMWCGDPY-IAGOWNOFSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000235697804 618414581 /nfs/dbraw/zinc/41/45/81/618414581.db2.gz ZUKSWYWWVWTZRD-JSGCOSHPSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925662386 618425832 /nfs/dbraw/zinc/42/58/32/618425832.db2.gz HLXPISBLYRCKFI-HEHGZKQESA-N 2 0 262.397 2.576 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925662387 618426276 /nfs/dbraw/zinc/42/62/76/618426276.db2.gz HLXPISBLYRCKFI-WOSRLPQWSA-N 2 0 262.397 2.576 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925665279 618432033 /nfs/dbraw/zinc/43/20/33/618432033.db2.gz KWHQEMAHFJKUKU-BBWFWOEESA-N 2 0 287.451 2.689 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925668460 618435114 /nfs/dbraw/zinc/43/51/14/618435114.db2.gz HSGQCYUGQCBZST-SOUVJXGZSA-N 2 0 269.477 2.602 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000925671164 618441459 /nfs/dbraw/zinc/44/14/59/618441459.db2.gz BKJRXGQACRDJJP-NEPJUHHUSA-N 2 0 260.372 2.932 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000877696932 618457308 /nfs/dbraw/zinc/45/73/08/618457308.db2.gz BTWIWPDQBUJUAU-DZGCQCFKSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925683371 618467966 /nfs/dbraw/zinc/46/79/66/618467966.db2.gz PKXQRJKFOVFEEJ-UGUYLWEFSA-N 2 0 282.472 2.933 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCCO1 ZINC000895223854 618483629 /nfs/dbraw/zinc/48/36/29/618483629.db2.gz BVPCLFUBZFAERN-BMRXWSCTSA-N 2 0 266.429 2.549 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH+](C)C)C1 ZINC000895292292 618511672 /nfs/dbraw/zinc/51/16/72/618511672.db2.gz FJEMUEQSHBEMCN-JYJNAYRXSA-N 2 0 298.471 2.818 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc2cccnc12 ZINC000895295020 618514036 /nfs/dbraw/zinc/51/40/36/618514036.db2.gz YIRVHMRZTCOAIX-CQSZACIVSA-N 2 0 271.408 2.973 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1O ZINC000895294657 618514173 /nfs/dbraw/zinc/51/41/73/618514173.db2.gz ZHCAEZPXECXUOC-KGLIPLIRSA-N 2 0 294.439 2.652 20 0 CFADRP C[C@H](CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[NH+](C)C ZINC000895296284 618517868 /nfs/dbraw/zinc/51/78/68/618517868.db2.gz FGXKMBDOZVCESG-NUJGCVRESA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H](CCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000895296276 618518386 /nfs/dbraw/zinc/51/83/86/618518386.db2.gz FEESCYOYJMIMBE-JFIYKMOQSA-N 2 0 289.467 2.752 20 0 CFADRP COc1cccc(CNCC[C@@H](C)[NH+](C)C)c1OC(C)C ZINC000895299773 618519762 /nfs/dbraw/zinc/51/97/62/618519762.db2.gz NQBOQSYRLGVZMP-CQSZACIVSA-N 2 0 294.439 2.912 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000895379606 618559000 /nfs/dbraw/zinc/55/90/00/618559000.db2.gz MTIRCEUXBJRKDT-MAUKXSAKSA-N 2 0 290.451 2.731 20 0 CFADRP C=Cn1cc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895380756 618559541 /nfs/dbraw/zinc/55/95/41/618559541.db2.gz QAMDUDRHAHHNQQ-ZBFHGGJFSA-N 2 0 276.428 2.536 20 0 CFADRP Cc1ncc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)o1 ZINC000895381612 618559821 /nfs/dbraw/zinc/55/98/21/618559821.db2.gz UWXGSPDPIRAXCL-IUODEOHRSA-N 2 0 265.401 2.535 20 0 CFADRP Cc1ncc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)o1 ZINC000895381616 618559846 /nfs/dbraw/zinc/55/98/46/618559846.db2.gz UWXGSPDPIRAXCL-WFASDCNBSA-N 2 0 265.401 2.535 20 0 CFADRP Cc1ncc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)o1 ZINC000895381608 618559948 /nfs/dbraw/zinc/55/99/48/618559948.db2.gz UWXGSPDPIRAXCL-DOMZBBRYSA-N 2 0 265.401 2.535 20 0 CFADRP CSC1CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000926739365 618620146 /nfs/dbraw/zinc/62/01/46/618620146.db2.gz QQWIWYDIPJPDDL-WLYUNCDWSA-N 2 0 268.470 2.592 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000892586006 618643433 /nfs/dbraw/zinc/64/34/33/618643433.db2.gz DOGFYLSUJYGWBF-BPQIPLTHSA-N 2 0 270.420 2.933 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892590495 618645320 /nfs/dbraw/zinc/64/53/20/618645320.db2.gz VUFVNRNELGWANY-IAGOWNOFSA-N 3 0 295.515 2.676 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892659022 618679671 /nfs/dbraw/zinc/67/96/71/618679671.db2.gz YMJJKNQHSJDHHN-OHRKKDJYSA-N 2 0 292.398 2.808 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892669761 618689122 /nfs/dbraw/zinc/68/91/22/618689122.db2.gz WTFSCQBHSJNIDX-UHFFFAOYSA-N 2 0 276.424 2.614 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924585532 618691699 /nfs/dbraw/zinc/69/16/99/618691699.db2.gz AKCXPFYLZHCJHC-YJBOKZPZSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000097850766 618705574 /nfs/dbraw/zinc/70/55/74/618705574.db2.gz IQNBENVRSNXQMT-TZMCWYRMSA-N 2 0 250.361 2.551 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000924605461 618747611 /nfs/dbraw/zinc/74/76/11/618747611.db2.gz GLHKLULSCCLKDA-ROUUACIJSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000311949881 618772379 /nfs/dbraw/zinc/77/23/79/618772379.db2.gz LEUCUEQIHOWOGB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CN(C)c1ccnc(C[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000926882551 618785937 /nfs/dbraw/zinc/78/59/37/618785937.db2.gz SLCQUXVZNBSLLO-INIZCTEOSA-N 2 0 289.423 2.729 20 0 CFADRP CC(C)CCCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000893010866 618803138 /nfs/dbraw/zinc/80/31/38/618803138.db2.gz JJLSICXTQNGSMZ-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000893028196 618808528 /nfs/dbraw/zinc/80/85/28/618808528.db2.gz HMJRFNJNEZMTKN-UHFFFAOYSA-N 2 0 293.358 2.593 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925504822 618833100 /nfs/dbraw/zinc/83/31/00/618833100.db2.gz PGWXMENENUBCGB-RBSFLKMASA-N 2 0 280.456 2.702 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925510177 618846640 /nfs/dbraw/zinc/84/66/40/618846640.db2.gz UCARIMVCWUFOCO-VNQPRFMTSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925513033 618852332 /nfs/dbraw/zinc/85/23/32/618852332.db2.gz GYWNWPDFNFWWPZ-KBMXLJTQSA-N 2 0 274.408 2.622 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925518506 618856815 /nfs/dbraw/zinc/85/68/15/618856815.db2.gz JBZRXXQZPJIUJM-IAGOWNOFSA-N 2 0 282.472 2.807 20 0 CFADRP C(CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH+]1CCCCC1 ZINC000925520754 618858913 /nfs/dbraw/zinc/85/89/13/618858913.db2.gz SMFUZOXUSHOEEQ-ROUUACIJSA-N 2 0 293.499 2.620 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930577001 618871215 /nfs/dbraw/zinc/87/12/15/618871215.db2.gz OSGOBLJGUIHZEG-SJORKVTESA-N 2 0 292.467 2.896 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925527862 618877539 /nfs/dbraw/zinc/87/75/39/618877539.db2.gz ADGDVEZGEMTBMH-CABCVRRESA-N 2 0 295.858 2.673 20 0 CFADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H](C)c1ccccc1 ZINC000925528997 618880079 /nfs/dbraw/zinc/88/00/79/618880079.db2.gz HWABCXHTEIASBM-DPQYUUDASA-N 2 0 270.420 2.765 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925536187 618890621 /nfs/dbraw/zinc/89/06/21/618890621.db2.gz CBXAVJULZSCALS-HOTGVXAUSA-N 2 0 274.408 2.583 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925541145 618900057 /nfs/dbraw/zinc/90/00/57/618900057.db2.gz HNOAJURUEIKDHA-VHDGCEQUSA-N 2 0 261.413 2.681 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000925541400 618900284 /nfs/dbraw/zinc/90/02/84/618900284.db2.gz IGSLBDURIGZHFL-GQGLESIBSA-N 3 0 291.483 2.643 20 0 CFADRP C[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000925547159 618907480 /nfs/dbraw/zinc/90/74/80/618907480.db2.gz SXXNWHVIIUWYOH-MTSZKFMLSA-N 2 0 293.499 2.616 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309691241 618908838 /nfs/dbraw/zinc/90/88/38/618908838.db2.gz CVSMKJOBQFIAEB-HYVNUMGLSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925560493 618925339 /nfs/dbraw/zinc/92/53/39/618925339.db2.gz YDKOJQDPDBYJCH-BRWVUGGUSA-N 2 0 293.499 2.619 20 0 CFADRP COCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925690397 618934741 /nfs/dbraw/zinc/93/47/41/618934741.db2.gz KYMDZWCYOVAFMZ-KXIUCKCTSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1(O)CCCC1 ZINC000925695516 618948126 /nfs/dbraw/zinc/94/81/26/618948126.db2.gz XKAGLUULYRTNGK-QLFBSQMISA-N 2 0 294.483 2.684 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000925697538 618950887 /nfs/dbraw/zinc/95/08/87/618950887.db2.gz GGOXIPPCWCCPRJ-DEYYWGMASA-N 2 0 283.419 2.884 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc2c1C[NH2+]C2 ZINC000925698175 618951516 /nfs/dbraw/zinc/95/15/16/618951516.db2.gz CQXDFPZDQIITPM-MOPGFXCFSA-N 3 0 299.462 2.548 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000925701660 618954961 /nfs/dbraw/zinc/95/49/61/618954961.db2.gz CXOPCFOMWSEBFF-KFWWJZLASA-N 2 0 273.424 2.519 20 0 CFADRP ClC1(Cl)C[C@H]1CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925702592 618956050 /nfs/dbraw/zinc/95/60/50/618956050.db2.gz OSACMYJNDUHFBM-GHMZBOCLSA-N 2 0 277.239 2.835 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000925704402 618958370 /nfs/dbraw/zinc/95/83/70/618958370.db2.gz GOUYDOHHHUJKKD-SFYZZRBRSA-N 2 0 285.435 2.650 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925706099 618960619 /nfs/dbraw/zinc/96/06/19/618960619.db2.gz FDRSALXYIAOIRL-SWHYSGLUSA-N 2 0 296.361 2.592 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCCO1 ZINC000925709894 618963785 /nfs/dbraw/zinc/96/37/85/618963785.db2.gz AJKHRQSEQGLUKP-XGUBFFRZSA-N 2 0 268.445 2.830 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000925711171 618964961 /nfs/dbraw/zinc/96/49/61/618964961.db2.gz XEMZIGBUQFGGDI-AJNGGQMLSA-N 2 0 250.430 2.918 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1COCC1(C)C)Cc1ccccc1 ZINC000313012431 618972198 /nfs/dbraw/zinc/97/21/98/618972198.db2.gz VFJPPZNGFIVNHD-MRXNPFEDSA-N 2 0 276.424 2.523 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)C12CCC2 ZINC000925715771 618973161 /nfs/dbraw/zinc/97/31/61/618973161.db2.gz MAEDTAIHHFVGAK-GJZGRUSLSA-N 2 0 287.432 2.698 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000893431587 618990563 /nfs/dbraw/zinc/99/05/63/618990563.db2.gz NCYCFULQDKTRRN-UHFFFAOYSA-N 2 0 287.451 2.678 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCSC2)C[C@@H]([NH3+])C1 ZINC000925724985 619003654 /nfs/dbraw/zinc/00/36/54/619003654.db2.gz OWWNDEPMBHOXEW-UPJWGTAASA-N 2 0 256.459 2.625 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCc1ccccc1 ZINC000054602154 619004597 /nfs/dbraw/zinc/00/45/97/619004597.db2.gz ULRBNOBEJIMUAF-ALOPSCKCSA-N 2 0 258.409 2.963 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893486594 619015871 /nfs/dbraw/zinc/01/58/71/619015871.db2.gz BZDMDMGCMLBOQD-RSIVFMTNSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(O)cc1 ZINC000093515954 619034477 /nfs/dbraw/zinc/03/44/77/619034477.db2.gz ZRGHHCUSHHMEHW-GOEBONIOSA-N 2 0 276.424 2.835 20 0 CFADRP CCSc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000925733446 619042588 /nfs/dbraw/zinc/04/25/88/619042588.db2.gz UQHIWXJUNBYHII-GXTWGEPZSA-N 2 0 264.438 2.886 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000925735262 619044898 /nfs/dbraw/zinc/04/48/98/619044898.db2.gz YECJACJNVAOOPC-NWDGAFQWSA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C12CCC2 ZINC000925737225 619046728 /nfs/dbraw/zinc/04/67/28/619046728.db2.gz QBTAEYWFTYAOBH-QJPTWQEYSA-N 2 0 258.356 2.671 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000925740373 619050223 /nfs/dbraw/zinc/05/02/23/619050223.db2.gz JQYORXPHUURFAQ-QWHCGFSZSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000925742200 619051567 /nfs/dbraw/zinc/05/15/67/619051567.db2.gz QCRLAIPVPKUOPE-ZDUSSCGKSA-N 2 0 254.324 2.669 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C12CCCCC2 ZINC000925741770 619051605 /nfs/dbraw/zinc/05/16/05/619051605.db2.gz MSZKCBQBMCLZAH-UONOGXRCSA-N 2 0 268.445 2.831 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000314419034 619078272 /nfs/dbraw/zinc/07/82/72/619078272.db2.gz YRYWURGSYDIPBA-INIZCTEOSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777266 619098753 /nfs/dbraw/zinc/09/87/53/619098753.db2.gz CXYCLACBTUOWHO-QWRGUYRKSA-N 2 0 274.380 2.514 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000925777882 619099146 /nfs/dbraw/zinc/09/91/46/619099146.db2.gz HTCHEKIATKEBGD-TZMCWYRMSA-N 2 0 266.335 2.508 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925780568 619102781 /nfs/dbraw/zinc/10/27/81/619102781.db2.gz TXXGTQJSDWSNKM-UKRRQHHQSA-N 2 0 280.362 2.817 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000925783508 619107887 /nfs/dbraw/zinc/10/78/87/619107887.db2.gz DABRVGFWPXNYRM-MCIONIFRSA-N 2 0 262.397 2.510 20 0 CFADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000317206455 619108147 /nfs/dbraw/zinc/10/81/47/619108147.db2.gz JCNLQWVUHJVMOD-GJZGRUSLSA-N 2 0 295.390 2.808 20 0 CFADRP COc1cc(C)c([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000925783899 619108931 /nfs/dbraw/zinc/10/89/31/619108931.db2.gz LQFJSNHCVWDIBR-UMVBOHGHSA-N 2 0 262.397 2.571 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc2ccccc2o1 ZINC000925791714 619116803 /nfs/dbraw/zinc/11/68/03/619116803.db2.gz RLZVLHZCQBUJFY-DYEKYZERSA-N 2 0 258.365 2.939 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801671 619122223 /nfs/dbraw/zinc/12/22/23/619122223.db2.gz WHOCUSIWLXSGMY-QLFBSQMISA-N 2 0 276.424 2.900 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925802898 619123124 /nfs/dbraw/zinc/12/31/24/619123124.db2.gz SWARBLOQSHSFNF-ARQSVGKCSA-N 2 0 268.470 2.910 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000925810370 619128911 /nfs/dbraw/zinc/12/89/11/619128911.db2.gz ZWZPNLQMYIKNLL-DOTOQJQBSA-N 3 0 281.488 2.524 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811975 619130530 /nfs/dbraw/zinc/13/05/30/619130530.db2.gz LOYOSIADUTVSOR-NVXWUHKLSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811976 619130618 /nfs/dbraw/zinc/13/06/18/619130618.db2.gz LOYOSIADUTVSOR-RDJZCZTQSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816125 619135255 /nfs/dbraw/zinc/13/52/55/619135255.db2.gz VQFVIPFEWIEDCT-RHSMWYFYSA-N 2 0 287.451 2.556 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822166 619141822 /nfs/dbraw/zinc/14/18/22/619141822.db2.gz JDTSQPUUAYUUDQ-RZZCCWGQSA-N 3 0 293.499 2.761 20 0 CFADRP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893686093 619156745 /nfs/dbraw/zinc/15/67/45/619156745.db2.gz WGIFKLSDGPRBLL-AAEUAGOBSA-N 2 0 278.362 2.991 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000925829186 619160129 /nfs/dbraw/zinc/16/01/29/619160129.db2.gz MWTOTZJIQPQLDH-QNWHQSFQSA-N 2 0 294.361 2.736 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000925831082 619162235 /nfs/dbraw/zinc/16/22/35/619162235.db2.gz CDBSXJNDUREQRJ-SJORKVTESA-N 2 0 284.403 2.860 20 0 CFADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000925834724 619166372 /nfs/dbraw/zinc/16/63/72/619166372.db2.gz OKTQTUTXLJOJPS-UONOGXRCSA-N 2 0 297.240 2.769 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000925838438 619171372 /nfs/dbraw/zinc/17/13/72/619171372.db2.gz MAECPUNDJRSBSB-GBJTYRQASA-N 2 0 280.362 2.895 20 0 CFADRP C(CC[NH2+][C@H]1CCC[C@H](C2CC2)C1)CCN1CC[NH2+]CC1 ZINC000925842803 619175609 /nfs/dbraw/zinc/17/56/09/619175609.db2.gz BDAMTWHUZCASHT-ROUUACIJSA-N 2 0 293.499 2.620 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842667 619175728 /nfs/dbraw/zinc/17/57/28/619175728.db2.gz BOXOVRSKWHGMMY-IAGOWNOFSA-N 2 0 281.488 2.620 20 0 CFADRP C(CC[NH2+][C@@H]1CCCC[C@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925844698 619176790 /nfs/dbraw/zinc/17/67/90/619176790.db2.gz LOPIMAVGKQARCZ-ZWKOTPCHSA-N 2 0 293.499 2.620 20 0 CFADRP C(CC[NH2+][C@@H]1CCCC12CCCC2)CCN1CC[NH2+]CC1 ZINC000925847461 619180755 /nfs/dbraw/zinc/18/07/55/619180755.db2.gz SGRMUGYHMHGGKA-QGZVFWFLSA-N 2 0 293.499 2.764 20 0 CFADRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000925848113 619181441 /nfs/dbraw/zinc/18/14/41/619181441.db2.gz AELFWQQMSVAIOV-HNNXBMFYSA-N 2 0 293.430 2.552 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925848815 619182231 /nfs/dbraw/zinc/18/22/31/619182231.db2.gz LESLOMLXAPMZDA-QGZVFWFLSA-N 2 0 289.467 2.721 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925861435 619188121 /nfs/dbraw/zinc/18/81/21/619188121.db2.gz PSPPIKRWDZNPMT-MJBXVCDLSA-N 2 0 268.470 2.925 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000235253587 619190575 /nfs/dbraw/zinc/19/05/75/619190575.db2.gz QTSUHFNGBBOMCH-VYDRJRHOSA-N 2 0 268.470 2.781 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000925875682 619195975 /nfs/dbraw/zinc/19/59/75/619195975.db2.gz LWWFMCYHQMRBSI-GRYCIOLGSA-N 2 0 265.426 2.546 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925876387 619196740 /nfs/dbraw/zinc/19/67/40/619196740.db2.gz WKDFOFDMXSYHBY-AYDFFVQHSA-N 2 0 276.424 2.904 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000925876732 619197265 /nfs/dbraw/zinc/19/72/65/619197265.db2.gz GSROFVQQFLYABZ-IOASZLSFSA-N 2 0 292.423 2.620 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880314 619200414 /nfs/dbraw/zinc/20/04/14/619200414.db2.gz JBTTXBHFDLAIGP-ZTFGCOKTSA-N 2 0 288.435 2.668 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925881508 619202387 /nfs/dbraw/zinc/20/23/87/619202387.db2.gz CDRGUTMBDXFSPM-BARDWOONSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000925883070 619202827 /nfs/dbraw/zinc/20/28/27/619202827.db2.gz SZLRJSMTIROANO-UGFHNGPFSA-N 2 0 250.361 2.994 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000925883013 619202918 /nfs/dbraw/zinc/20/29/18/619202918.db2.gz REKIJASQCOGVPE-LNSITVRQSA-N 2 0 278.371 2.756 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC000925888261 619205260 /nfs/dbraw/zinc/20/52/60/619205260.db2.gz ASNAHROMVPDRBY-DIECFANBSA-N 2 0 288.435 2.530 20 0 CFADRP COCC1([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925924721 619239438 /nfs/dbraw/zinc/23/94/38/619239438.db2.gz ZRRFHVQEMGJXOE-ZDUSSCGKSA-N 2 0 262.397 2.578 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc3C2)CC1 ZINC000726695298 619257715 /nfs/dbraw/zinc/25/77/15/619257715.db2.gz HOHJBICQXFXLIH-OAHLLOKOSA-N 2 0 288.435 2.702 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(O)c(F)c3)C2)CC1 ZINC000894232905 619273550 /nfs/dbraw/zinc/27/35/50/619273550.db2.gz MDKYZGWNLDJWLK-UHFFFAOYSA-N 2 0 292.398 2.839 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C)ccnc2N)c1 ZINC000894241471 619277181 /nfs/dbraw/zinc/27/71/81/619277181.db2.gz ISXKGGQNXMCBCO-UHFFFAOYSA-N 2 0 298.434 2.714 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000924948637 619297363 /nfs/dbraw/zinc/29/73/63/619297363.db2.gz IGYGLPGKJBEWFD-ZACQAIPSSA-N 2 0 295.515 2.674 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)c1 ZINC000924957284 619302089 /nfs/dbraw/zinc/30/20/89/619302089.db2.gz FTBKFBUVDSZMAU-GRDNDAEWSA-N 2 0 276.424 2.651 20 0 CFADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cnnn1C ZINC000924959875 619303548 /nfs/dbraw/zinc/30/35/48/619303548.db2.gz XEIBKYQMDBQZLZ-HNNXBMFYSA-N 2 0 293.459 2.512 20 0 CFADRP C[C@]1(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC[NH2+]C1 ZINC000261894716 619308624 /nfs/dbraw/zinc/30/86/24/619308624.db2.gz UPTFOJXQWNYNPX-SFHVURJKSA-N 2 0 298.434 2.742 20 0 CFADRP CCCCN(C)CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000925037749 619352406 /nfs/dbraw/zinc/35/24/06/619352406.db2.gz AIQWWACHBBNWNE-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccnnc1 ZINC000925048636 619357951 /nfs/dbraw/zinc/35/79/51/619357951.db2.gz JGFYMENMQHOMBZ-OAHLLOKOSA-N 2 0 276.428 2.783 20 0 CFADRP COc1ccc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261988498 619358551 /nfs/dbraw/zinc/35/85/51/619358551.db2.gz SBBQTQPCISKTAL-HNNXBMFYSA-N 2 0 288.435 2.874 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@H]1OC ZINC000894455467 619390890 /nfs/dbraw/zinc/39/08/90/619390890.db2.gz KTFONOBRKULFQJ-ARFHVFGLSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2nccc3c2CCCC3)C1 ZINC000894497270 619400526 /nfs/dbraw/zinc/40/05/26/619400526.db2.gz WNCHMGFDNJNLIM-LPHOPBHVSA-N 2 0 299.462 2.877 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCc2ccc(F)c(F)c2)C1 ZINC000894496349 619403078 /nfs/dbraw/zinc/40/30/78/619403078.db2.gz PBLBUQUQCCBCQC-YOEHRIQHSA-N 2 0 294.389 2.923 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000925075121 619408611 /nfs/dbraw/zinc/40/86/11/619408611.db2.gz OTNVGHMFZMDSPS-CHWSQXEVSA-N 2 0 294.414 2.648 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1OCCc2sccc21 ZINC000894591416 619423321 /nfs/dbraw/zinc/42/33/21/619423321.db2.gz DWGUHQWYUWPXLI-BLLLJJGKSA-N 2 0 294.464 2.682 20 0 CFADRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(C2CC2)n1 ZINC000894625978 619431985 /nfs/dbraw/zinc/43/19/85/619431985.db2.gz JBDBGKVAAZPWIM-UHFFFAOYSA-N 2 0 290.455 2.653 20 0 CFADRP C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894706909 619448669 /nfs/dbraw/zinc/44/86/69/619448669.db2.gz ITKDSRXVPVYITI-AAEUAGOBSA-N 2 0 278.362 2.991 20 0 CFADRP COCCCC1(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000894861063 619487519 /nfs/dbraw/zinc/48/75/19/619487519.db2.gz OOBWJAAKBWUTNE-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP Cc1nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)sc1C ZINC000894861041 619487632 /nfs/dbraw/zinc/48/76/32/619487632.db2.gz OBCDWTBWPPZNAI-CYBMUJFWSA-N 2 0 267.442 2.581 20 0 CFADRP Cc1nc(C)c(C[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000880517615 619497922 /nfs/dbraw/zinc/49/79/22/619497922.db2.gz UVBKQWPIAPJRBJ-UHFFFAOYSA-N 2 0 279.428 2.989 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925096257 619503745 /nfs/dbraw/zinc/50/37/45/619503745.db2.gz XKVDPDKVANBOTC-OQGULXLBSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1noc2ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc12 ZINC000894904636 619508794 /nfs/dbraw/zinc/50/87/94/619508794.db2.gz KRTMLFBZOWYEIM-UHFFFAOYSA-N 2 0 290.411 2.741 20 0 CFADRP C[NH+](C)Cc1ccc(NCC2CC[NH+](C)CC2)c(F)c1 ZINC000894907716 619510810 /nfs/dbraw/zinc/51/08/10/619510810.db2.gz SVPXLFLASMCMMT-UHFFFAOYSA-N 2 0 279.403 2.641 20 0 CFADRP CC[N@@H+](Cc1occc1C)CC1CC[NH+](C)CC1 ZINC000894922903 619513553 /nfs/dbraw/zinc/51/35/53/619513553.db2.gz BADPFCPANNUJCS-UHFFFAOYSA-N 2 0 250.386 2.752 20 0 CFADRP C[NH+]1CCC2(CCN(c3cc(N)[nH+]cc3Cl)CC2)CC1 ZINC000894926570 619514590 /nfs/dbraw/zinc/51/45/90/619514590.db2.gz TYRWVFJDTYYXAZ-UHFFFAOYSA-N 2 0 294.830 2.629 20 0 CFADRP CC1([NH+]2CCCC2)CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000895523143 619548908 /nfs/dbraw/zinc/54/89/08/619548908.db2.gz JOAROWMUQBEWQM-UHFFFAOYSA-N 2 0 289.423 2.783 20 0 CFADRP COC1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCCC1 ZINC000895556891 619554812 /nfs/dbraw/zinc/55/48/12/619554812.db2.gz MIAZCKFEXXFSJR-HNNXBMFYSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@@H]1C[N@H+](C[C@]2(C)CCCS2)CCN1c1cc[nH+]cc1 ZINC000895556606 619554988 /nfs/dbraw/zinc/55/49/88/619554988.db2.gz LISHKKPGZMEGQE-ZBFHGGJFSA-N 2 0 291.464 2.878 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000895587569 619561592 /nfs/dbraw/zinc/56/15/92/619561592.db2.gz ZIYGDDLJMCXNAZ-CQSZACIVSA-N 2 0 282.378 2.829 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccco1 ZINC000895686664 619583282 /nfs/dbraw/zinc/58/32/82/619583282.db2.gz ULKUADVTNYKWLA-UHFFFAOYSA-N 2 0 250.386 2.978 20 0 CFADRP CN(CCCC[NH+]1CCCCC1)Cc1cn(C)nc1Cl ZINC000895682456 619585456 /nfs/dbraw/zinc/58/54/56/619585456.db2.gz DLZZAZLAKODYJS-UHFFFAOYSA-N 2 0 298.862 2.771 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCSC1 ZINC000895683834 619585869 /nfs/dbraw/zinc/58/58/69/619585869.db2.gz UIRRKWYCBRKAJE-HNNXBMFYSA-N 2 0 270.486 2.937 20 0 CFADRP COCCCC1(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC000895846203 619621329 /nfs/dbraw/zinc/62/13/29/619621329.db2.gz ZSEVYNCIYDEJSZ-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000896034422 619657489 /nfs/dbraw/zinc/65/74/89/619657489.db2.gz BBYVGDODZHBDDL-GOSISDBHSA-N 3 0 298.434 2.556 20 0 CFADRP CCO[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+](C)C ZINC000896117240 619674322 /nfs/dbraw/zinc/67/43/22/619674322.db2.gz LOJVJLWSLQZPRM-ZDUSSCGKSA-N 2 0 291.370 2.753 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000054243416 619862795 /nfs/dbraw/zinc/86/27/95/619862795.db2.gz JDQSAZNXCUEBCW-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@@H]21 ZINC000262372831 619869773 /nfs/dbraw/zinc/86/97/73/619869773.db2.gz XQKLYFMHLHDRPF-ISTRZQFTSA-N 2 0 299.393 2.933 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000925140582 619938143 /nfs/dbraw/zinc/93/81/43/619938143.db2.gz JZQACMLQXGOYKA-DOTOQJQBSA-N 2 0 281.488 2.569 20 0 CFADRP Brc1cccc(CNC[C@H]2CCCC[NH2+]2)c1 ZINC000232561191 619955809 /nfs/dbraw/zinc/95/58/09/619955809.db2.gz PZUULJODXGVYQQ-CYBMUJFWSA-N 2 0 283.213 2.681 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+](C)C)c1 ZINC000925266046 620109471 /nfs/dbraw/zinc/10/94/71/620109471.db2.gz WLBOKBDVHIAKFV-DYVFJYSZSA-N 2 0 298.434 2.679 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1C ZINC000897414585 620110290 /nfs/dbraw/zinc/11/02/90/620110290.db2.gz FTOQFONZZXSGPC-CQSZACIVSA-N 2 0 276.424 2.996 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000897453074 620174573 /nfs/dbraw/zinc/17/45/73/620174573.db2.gz ZYTHCLWZOKYODJ-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H](C)C1 ZINC000897448521 620175436 /nfs/dbraw/zinc/17/54/36/620175436.db2.gz WSVRYVIPAFIJDQ-GOEBONIOSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)CC[N@@H+]1C ZINC000897476421 620182444 /nfs/dbraw/zinc/18/24/44/620182444.db2.gz RWBBUGQRINZIFQ-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925283100 620186594 /nfs/dbraw/zinc/18/65/94/620186594.db2.gz RIBZNIXWDAXBKG-BBRMVZONSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cncs1 ZINC000897931738 620302181 /nfs/dbraw/zinc/30/21/81/620302181.db2.gz CHQRQYJDQLYUIK-GFCCVEGCSA-N 2 0 288.420 2.858 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cncs1 ZINC000897930104 620305475 /nfs/dbraw/zinc/30/54/75/620305475.db2.gz IRXVRNOTDASCRV-WDEREUQCSA-N 2 0 253.415 2.667 20 0 CFADRP C(C1CCSCC1)[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982549 620318458 /nfs/dbraw/zinc/31/84/58/620318458.db2.gz NNAKUKYRHVYTKF-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(C)(C)O2)[C@H](C)C1 ZINC000898048673 620321936 /nfs/dbraw/zinc/32/19/36/620321936.db2.gz PGAJCJLEMHGHEY-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC(C)(C)C1)C1CCSCC1 ZINC000898033798 620326826 /nfs/dbraw/zinc/32/68/26/620326826.db2.gz CMCCMGAZXKOXQT-CYBMUJFWSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(CC2CCC2)c1 ZINC000898182838 620348745 /nfs/dbraw/zinc/34/87/45/620348745.db2.gz GQTXAELNQTVQPS-CQSZACIVSA-N 2 0 290.455 2.676 20 0 CFADRP CCON1CCC([NH2+][C@H](C)CCC[NH+](CC)CC)CC1 ZINC000323145704 620404669 /nfs/dbraw/zinc/40/46/69/620404669.db2.gz ZYVPKHMHECIGOU-OAHLLOKOSA-N 2 0 285.476 2.502 20 0 CFADRP CC1(C)CC[NH2+]CCN1CCCc1ccsc1 ZINC000866696862 620415695 /nfs/dbraw/zinc/41/56/95/620415695.db2.gz APTWNSVGLBPPPQ-UHFFFAOYSA-N 2 0 252.427 2.755 20 0 CFADRP CC[C@@H](CNC1CC[NH+](CCC(C)C)CC1)[NH+]1CCCC1 ZINC000924639107 620428996 /nfs/dbraw/zinc/42/89/96/620428996.db2.gz NPSXJOXCNNMXMO-SFHVURJKSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(C2CCC2)c1 ZINC000924650059 620433475 /nfs/dbraw/zinc/43/34/75/620433475.db2.gz PODQDINJACSQMF-ZIAGYGMSSA-N 2 0 288.439 2.743 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873222235 620435509 /nfs/dbraw/zinc/43/55/09/620435509.db2.gz HUKGGTPWYXLEJM-RCBQFDQVSA-N 2 0 250.430 2.933 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924672610 620437459 /nfs/dbraw/zinc/43/74/59/620437459.db2.gz UMVPXGYKZQVRSB-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)CO ZINC000924683598 620440205 /nfs/dbraw/zinc/44/02/05/620440205.db2.gz GVIUSWNFJFBCFM-XHSDSOJGSA-N 2 0 284.488 2.741 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924685711 620440703 /nfs/dbraw/zinc/44/07/03/620440703.db2.gz PPRKKAVQKZEFRL-FZKCQIBNSA-N 2 0 282.472 2.615 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924689008 620440959 /nfs/dbraw/zinc/44/09/59/620440959.db2.gz WEDLBDURBIPWML-QLFBSQMISA-N 2 0 291.443 2.528 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ncco1 ZINC000927035486 620444548 /nfs/dbraw/zinc/44/45/48/620444548.db2.gz AIEKDKMXQVVYBE-OPFPJEHXSA-N 2 0 263.385 2.732 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924708651 620448590 /nfs/dbraw/zinc/44/85/90/620448590.db2.gz YUUGUQQCDYJACH-DOTOQJQBSA-N 3 0 289.467 2.741 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CCCO)C[NH+]1CCCC1 ZINC000924716895 620451932 /nfs/dbraw/zinc/45/19/32/620451932.db2.gz RQHDEOJHSWPVMN-IKGGRYGDSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000924722668 620454194 /nfs/dbraw/zinc/45/41/94/620454194.db2.gz SYRGUKXRWAJMCX-JKSUJKDBSA-N 2 0 275.440 2.724 20 0 CFADRP COC(=O)C1(CCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000898408486 620460746 /nfs/dbraw/zinc/46/07/46/620460746.db2.gz RFSGLYCKMPTVTG-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000898444232 620465518 /nfs/dbraw/zinc/46/55/18/620465518.db2.gz HYKZSKMEGHFLBR-HOTGVXAUSA-N 2 0 292.398 2.811 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N[C@H](C)C2CC2)c1 ZINC000899264383 620537572 /nfs/dbraw/zinc/53/75/72/620537572.db2.gz DHAYURGJGFBRJZ-CYBMUJFWSA-N 2 0 288.439 2.551 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)c1 ZINC000899321980 620543184 /nfs/dbraw/zinc/54/31/84/620543184.db2.gz BWBRIKMHBWXSEC-SFHVURJKSA-N 2 0 296.414 2.720 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnc(C[NH3+])nc2)c1 ZINC000899322289 620543613 /nfs/dbraw/zinc/54/36/13/620543613.db2.gz GELSTDHPCSKABS-CYBMUJFWSA-N 2 0 282.391 2.587 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)c1 ZINC000899324973 620543955 /nfs/dbraw/zinc/54/39/55/620543955.db2.gz SNGKKDWRLMRBRI-GOSISDBHSA-N 2 0 266.388 2.841 20 0 CFADRP COc1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)c(C[NH+](C)C)c1 ZINC000899325620 620545759 /nfs/dbraw/zinc/54/57/59/620545759.db2.gz XTNQOVSPMGVWTG-QGZVFWFLSA-N 2 0 296.414 2.850 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000902078552 620969323 /nfs/dbraw/zinc/96/93/23/620969323.db2.gz NKMWNGQMXBJPGB-AWEZNQCLSA-N 2 0 261.413 2.550 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C)ccc2NC)C1 ZINC000902133037 620979468 /nfs/dbraw/zinc/97/94/68/620979468.db2.gz XAYVMRQQMRTIKF-OAHLLOKOSA-N 2 0 275.440 2.858 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2NC)CC1 ZINC000902194035 620995745 /nfs/dbraw/zinc/99/57/45/620995745.db2.gz DEYQOIVMRJBIRW-UHFFFAOYSA-N 2 0 261.413 2.550 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317746 621023098 /nfs/dbraw/zinc/02/30/98/621023098.db2.gz FSIZBHGAZSMNRT-CVEARBPZSA-N 3 0 283.504 2.865 20 0 CFADRP C[NH+](C)CCCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902315378 621030820 /nfs/dbraw/zinc/03/08/20/621030820.db2.gz BGQYFHDXMTXELG-INIZCTEOSA-N 2 0 299.409 2.676 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902346738 621034515 /nfs/dbraw/zinc/03/45/15/621034515.db2.gz PMTYTVKCYIIALX-DLBZAZTESA-N 3 0 295.515 2.866 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1C ZINC000902325980 621036820 /nfs/dbraw/zinc/03/68/20/621036820.db2.gz BANFNJDZCGYPCM-MRXNPFEDSA-N 2 0 290.451 2.914 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902331001 621038221 /nfs/dbraw/zinc/03/82/21/621038221.db2.gz RHZDVIILRBPVNQ-IAGOWNOFSA-N 2 0 289.467 2.657 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902332299 621039185 /nfs/dbraw/zinc/03/91/85/621039185.db2.gz FFNQFUFCQUXOMJ-INIZCTEOSA-N 2 0 290.451 2.914 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902335655 621041241 /nfs/dbraw/zinc/04/12/41/621041241.db2.gz JNHAUPSOVOPYDG-DZGCQCFKSA-N 2 0 261.413 2.553 20 0 CFADRP CC1(C)C[NH2+]CC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000902371006 621044184 /nfs/dbraw/zinc/04/41/84/621044184.db2.gz QIWOQCCSIIEKOC-LBPRGKRZSA-N 2 0 267.804 2.603 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000902371350 621044300 /nfs/dbraw/zinc/04/43/00/621044300.db2.gz OXGPYZCFHDNLOI-HOTGVXAUSA-N 2 0 273.424 2.901 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902373401 621045176 /nfs/dbraw/zinc/04/51/76/621045176.db2.gz DDZUFPBUHLOVJM-ILXRZTDVSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+]1CCCCC1 ZINC000902374487 621045531 /nfs/dbraw/zinc/04/55/31/621045531.db2.gz MYIMMPMYHOKTIJ-HZPDHXFCSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375782 621046520 /nfs/dbraw/zinc/04/65/20/621046520.db2.gz FOTYZTXZGHBSPN-XHSDSOJGSA-N 2 0 282.472 2.948 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902383252 621058984 /nfs/dbraw/zinc/05/89/84/621058984.db2.gz KDHWYBQACNUWBZ-GFCCVEGCSA-N 2 0 256.459 2.640 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393663 621063122 /nfs/dbraw/zinc/06/31/22/621063122.db2.gz SZNWKMJXFSXASQ-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)C1 ZINC000902393208 621063164 /nfs/dbraw/zinc/06/31/64/621063164.db2.gz NMKJERMVNMCQJU-INIZCTEOSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392513 621063342 /nfs/dbraw/zinc/06/33/42/621063342.db2.gz ISMDELRIKBNQJE-WBMJQRKESA-N 3 0 299.409 2.852 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)C1 ZINC000902394908 621064398 /nfs/dbraw/zinc/06/43/98/621064398.db2.gz XSSOPGASRJEGRX-KGLIPLIRSA-N 2 0 282.497 2.888 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000902395177 621064835 /nfs/dbraw/zinc/06/48/35/621064835.db2.gz ZWHYWPBHQNXDNW-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402937 621068828 /nfs/dbraw/zinc/06/88/28/621068828.db2.gz POAILPDBIOGCTH-QKGCVVFFSA-N 2 0 250.430 2.646 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000902428985 621076027 /nfs/dbraw/zinc/07/60/27/621076027.db2.gz IWJCUYRYULHNSQ-ZJUUUORDSA-N 2 0 256.777 2.564 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000902429370 621076541 /nfs/dbraw/zinc/07/65/41/621076541.db2.gz JWXZCALUADGSRC-NEPJUHHUSA-N 2 0 268.788 2.708 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435869 621079433 /nfs/dbraw/zinc/07/94/33/621079433.db2.gz WICHDPMHMFKAJS-PAYONLEZSA-N 2 0 287.451 2.512 20 0 CFADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902476245 621087371 /nfs/dbraw/zinc/08/73/71/621087371.db2.gz NTZBOFLVDXQZIL-HSFUPAIVSA-N 2 0 270.420 2.880 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCS1 ZINC000902452151 621092569 /nfs/dbraw/zinc/09/25/69/621092569.db2.gz JHEXTHZBCMQRBC-YNEHKIRRSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@H]([NH2+]CCC1CCC(F)(F)CC1)[C@H]1CCC[NH2+]1 ZINC000902453704 621093023 /nfs/dbraw/zinc/09/30/23/621093023.db2.gz DXBYKLOWZMGYPK-WCQYABFASA-N 2 0 260.372 2.932 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000902453501 621093206 /nfs/dbraw/zinc/09/32/06/621093206.db2.gz DKMSDPGUMMUISG-GOEBONIOSA-N 2 0 293.455 2.821 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453411 621093340 /nfs/dbraw/zinc/09/33/40/621093340.db2.gz CCEFRKDQXKBQMX-ZDUSSCGKSA-N 2 0 278.387 2.546 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccccc1 ZINC000902454392 621093841 /nfs/dbraw/zinc/09/38/41/621093841.db2.gz HJMLPYMSXINOTP-OAHLLOKOSA-N 2 0 296.374 2.793 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902455849 621094084 /nfs/dbraw/zinc/09/40/84/621094084.db2.gz NFOOZQCJJXIHFZ-YXAMBPQSSA-N 2 0 259.397 2.688 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902459741 621095233 /nfs/dbraw/zinc/09/52/33/621095233.db2.gz ZXPMWOZGDMKLSD-OMXXWXSESA-N 2 0 272.383 2.917 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCCC(C)(C)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902458972 621095353 /nfs/dbraw/zinc/09/53/53/621095353.db2.gz AHNSZZRHSZWPRM-APIJFGDWSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902462380 621096634 /nfs/dbraw/zinc/09/66/34/621096634.db2.gz VMJUUIAGNACXNY-BHYGNILZSA-N 2 0 290.451 2.882 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1Cl ZINC000902490982 621102217 /nfs/dbraw/zinc/10/22/17/621102217.db2.gz ZVBXVOLKSUDPAL-QXEWZRGKSA-N 2 0 256.752 2.867 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C2CC2)c1 ZINC000902491367 621103000 /nfs/dbraw/zinc/10/30/00/621103000.db2.gz WEHCCQQPNVHHRV-DJIMGWMZSA-N 2 0 258.409 2.643 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnn(CC2CCC2)c1 ZINC000902505791 621106855 /nfs/dbraw/zinc/10/68/55/621106855.db2.gz UBFTVIDDCRTRRX-RCBQFDQVSA-N 2 0 276.428 2.604 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482690 621109968 /nfs/dbraw/zinc/10/99/68/621109968.db2.gz MVVDBSGTEHOLNP-NVXWUHKLSA-N 2 0 275.440 2.915 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CCS2 ZINC000902483805 621110266 /nfs/dbraw/zinc/11/02/66/621110266.db2.gz CQOKAAHAGTUCPG-JTNHKYCSSA-N 2 0 278.421 2.559 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902483795 621110448 /nfs/dbraw/zinc/11/04/48/621110448.db2.gz CCDJBRSPJPXQMA-FEJXCRPKSA-N 2 0 274.408 2.514 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485228 621111087 /nfs/dbraw/zinc/11/10/87/621111087.db2.gz JQKFGVJBOSPHHZ-JKOKRWQUSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486991 621112248 /nfs/dbraw/zinc/11/22/48/621112248.db2.gz IMUYHXRPBPQPNY-JKOKRWQUSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000902488105 621112741 /nfs/dbraw/zinc/11/27/41/621112741.db2.gz KDBKBWPTOGNGSV-CIUDSAMLSA-N 2 0 289.242 2.899 20 0 CFADRP C1CC1([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCCC1 ZINC000902518360 621115849 /nfs/dbraw/zinc/11/58/49/621115849.db2.gz PVHLCWCAJVNEOZ-FHXAZYNBSA-N 2 0 260.425 2.685 20 0 CFADRP CC(C)N(CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902724525 621158117 /nfs/dbraw/zinc/15/81/17/621158117.db2.gz BIZXARIOBXFNEB-SMLCLMEVSA-N 2 0 280.456 2.508 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902724783 621158209 /nfs/dbraw/zinc/15/82/09/621158209.db2.gz IXVXEVJBFFDLFZ-DJIMGWMZSA-N 2 0 288.435 2.700 20 0 CFADRP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CCn1ccnc1 ZINC000902724948 621158474 /nfs/dbraw/zinc/15/84/74/621158474.db2.gz MPTDBLOUFIZOKM-DYVFJYSZSA-N 2 0 285.391 2.805 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000902756369 621165702 /nfs/dbraw/zinc/16/57/02/621165702.db2.gz XNZGHOYZCMFXEI-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP COC(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)c(C)c1 ZINC000902765920 621169177 /nfs/dbraw/zinc/16/91/77/621169177.db2.gz CIQFYDVQJJJEHI-DZGCQCFKSA-N 2 0 290.407 2.526 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000902779603 621171573 /nfs/dbraw/zinc/17/15/73/621171573.db2.gz YAAYHNZNEZHLPM-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(-n2ccnc2)c1 ZINC000902815589 621185482 /nfs/dbraw/zinc/18/54/82/621185482.db2.gz VIEZQXPLYOQWBY-SOUVJXGZSA-N 2 0 287.407 2.930 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCCC1 ZINC000902950378 621212682 /nfs/dbraw/zinc/21/26/82/621212682.db2.gz HRSZCPPCNXVKFD-UXJCHEOYSA-N 2 0 292.467 2.654 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000903080058 621245178 /nfs/dbraw/zinc/24/51/78/621245178.db2.gz IQWPANPNRAACCL-NPCAHTBFSA-N 2 0 276.428 2.640 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000903082784 621245948 /nfs/dbraw/zinc/24/59/48/621245948.db2.gz WTJHEKZWEFEVFT-WOEKCDJXSA-N 2 0 292.467 2.652 20 0 CFADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCCC1 ZINC000903089564 621248852 /nfs/dbraw/zinc/24/88/52/621248852.db2.gz RAWBVYRNKFFISV-ONQFOCNCSA-N 2 0 292.467 2.675 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000903097556 621259694 /nfs/dbraw/zinc/25/96/94/621259694.db2.gz UAYRUPBGNXKQGL-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOCC1 ZINC000903125880 621261795 /nfs/dbraw/zinc/26/17/95/621261795.db2.gz PCLWKVDGQIARCD-VHRNVKJDSA-N 2 0 278.440 2.551 20 0 CFADRP Cc1cncc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903129066 621263017 /nfs/dbraw/zinc/26/30/17/621263017.db2.gz FGHFBYADGALFKE-ZXFUBFMLSA-N 2 0 271.408 2.637 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147075 621268537 /nfs/dbraw/zinc/26/85/37/621268537.db2.gz DQPKCJSWSHPMMX-NXNVCVFFSA-N 2 0 280.456 2.797 20 0 CFADRP CCOC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903153423 621268833 /nfs/dbraw/zinc/26/88/33/621268833.db2.gz MDRKEQYVPKYFNF-LQDVMPOASA-N 2 0 266.429 2.549 20 0 CFADRP c1ccc2c(c1)OC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171213 621273798 /nfs/dbraw/zinc/27/37/98/621273798.db2.gz FETMCLIELXHNEJ-ZBSSRIJBSA-N 2 0 298.430 2.910 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000903186604 621285238 /nfs/dbraw/zinc/28/52/38/621285238.db2.gz SCFLGVREANACQC-UIEMGDCHSA-N 2 0 260.425 2.922 20 0 CFADRP COCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903189953 621285857 /nfs/dbraw/zinc/28/58/57/621285857.db2.gz LKXAUJNLDTVKDK-CJHMKJBKSA-N 2 0 292.467 2.939 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CC(C)C ZINC000903189681 621286063 /nfs/dbraw/zinc/28/60/63/621286063.db2.gz GHIZEYSARPEUEO-CVGRLMLNSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCCO1 ZINC000903225988 621287134 /nfs/dbraw/zinc/28/71/34/621287134.db2.gz JETKECWJKYLFMZ-CVGRLMLNSA-N 2 0 278.440 2.693 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000903244183 621295915 /nfs/dbraw/zinc/29/59/15/621295915.db2.gz NTYWPUQQAPYXCP-KKUMJFAQSA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000903228569 621296804 /nfs/dbraw/zinc/29/68/04/621296804.db2.gz VPUBQEAYCBPVCH-FYRZTWFESA-N 2 0 266.429 2.551 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000903252125 621299436 /nfs/dbraw/zinc/29/94/36/621299436.db2.gz APCOJDFESFOCHY-PDCGBLAGSA-N 2 0 294.483 2.758 20 0 CFADRP C[C@@H]1[C@@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC000903301139 621315674 /nfs/dbraw/zinc/31/56/74/621315674.db2.gz NQGKBDVCPJQBGD-LMSBXDPUSA-N 2 0 293.499 2.712 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(CO)cc2C)[C@@H](C)C1 ZINC000903309622 621327270 /nfs/dbraw/zinc/32/72/70/621327270.db2.gz WFLITAOXOQMVLH-YJBOKZPZSA-N 2 0 290.451 2.616 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1C[C@H]3CCC[C@@H]31)C2 ZINC000903318258 621331312 /nfs/dbraw/zinc/33/13/12/621331312.db2.gz PSGGHFGYGOLOHR-JOABBYSTSA-N 2 0 260.425 2.922 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903425167 621369594 /nfs/dbraw/zinc/36/95/94/621369594.db2.gz VTGLZMRLEGOGRW-GXTWGEPZSA-N 2 0 264.438 2.968 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903426340 621370399 /nfs/dbraw/zinc/37/03/99/621370399.db2.gz HPFNUUOLEKQAKP-UKPHBRMFSA-N 2 0 274.408 2.688 20 0 CFADRP C[C@@](C[NH3+])([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1CC1 ZINC000903426842 621370588 /nfs/dbraw/zinc/37/05/88/621370588.db2.gz PNRBHUQKZBNCEQ-KFWWJZLASA-N 2 0 280.362 2.752 20 0 CFADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000903429550 621371260 /nfs/dbraw/zinc/37/12/60/621371260.db2.gz GKICXSVIGCHKRW-VYDXJSESSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430008 621371830 /nfs/dbraw/zinc/37/18/30/621371830.db2.gz NESLAIZGDIISTK-DYEKYZERSA-N 2 0 250.361 2.674 20 0 CFADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1cccc(O)c1 ZINC000903431065 621371952 /nfs/dbraw/zinc/37/19/52/621371952.db2.gz LBFCACLLKHUMOX-NFAWXSAZSA-N 2 0 262.397 2.631 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903435766 621373684 /nfs/dbraw/zinc/37/36/84/621373684.db2.gz ZAMSOHPTFQDFRD-PMPSAXMXSA-N 2 0 258.409 2.640 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)CO1 ZINC000903439510 621375771 /nfs/dbraw/zinc/37/57/71/621375771.db2.gz JDXANDDCSBNEHB-HDEZJCGLSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCSC3(CCCCC3)C2)C1 ZINC000903440453 621377209 /nfs/dbraw/zinc/37/72/09/621377209.db2.gz YOTQBRRTZSNRPF-UONOGXRCSA-N 2 0 268.470 2.866 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000903424815 621379987 /nfs/dbraw/zinc/37/99/87/621379987.db2.gz HUTLZOADUICMFE-HNNXBMFYSA-N 2 0 259.397 2.973 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000903458935 621380503 /nfs/dbraw/zinc/38/05/03/621380503.db2.gz NIQTYXYCZAZFDQ-MDZLAQPJSA-N 2 0 284.350 2.794 20 0 CFADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000903458839 621380854 /nfs/dbraw/zinc/38/08/54/621380854.db2.gz LMHAVEDJRWTQDT-ZACQAIPSSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000903442255 621382541 /nfs/dbraw/zinc/38/25/41/621382541.db2.gz MKLKZICLHDBKKG-HIFRSBDPSA-N 2 0 298.434 2.598 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)sc1C ZINC000903444539 621383198 /nfs/dbraw/zinc/38/31/98/621383198.db2.gz BTEPLYBSKWXCHP-NEPJUHHUSA-N 2 0 267.442 2.712 20 0 CFADRP CC[C@](C)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nc(C)cs1 ZINC000903444926 621383909 /nfs/dbraw/zinc/38/39/09/621383909.db2.gz FHIRRQYFHRXLLT-DYEKYZERSA-N 2 0 267.442 2.794 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903444977 621383954 /nfs/dbraw/zinc/38/39/54/621383954.db2.gz HCSRDYJBTBFOOG-CVEARBPZSA-N 2 0 287.451 2.715 20 0 CFADRP C[N@H+](Cc1ccc2cc[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903445704 621384173 /nfs/dbraw/zinc/38/41/73/621384173.db2.gz NJAXSUAHYHEARZ-XYPWUTKMSA-N 2 0 269.392 2.883 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903450493 621386444 /nfs/dbraw/zinc/38/64/44/621386444.db2.gz XJBATWFXBYBZIN-CYBMUJFWSA-N 2 0 257.381 2.729 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)C[C@@H]21 ZINC000903453870 621387416 /nfs/dbraw/zinc/38/74/16/621387416.db2.gz OJNSWYZAQQEKMN-BTFPBAQTSA-N 2 0 284.394 2.742 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000903456042 621388570 /nfs/dbraw/zinc/38/85/70/621388570.db2.gz CWBTXEOGFRNSAG-ZWKOTPCHSA-N 3 0 293.499 2.702 20 0 CFADRP CCc1ccc([C@@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)cc1 ZINC000903456758 621388795 /nfs/dbraw/zinc/38/87/95/621388795.db2.gz KVDKKSULRALYPN-NJAFHUGGSA-N 2 0 288.435 2.750 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472424 621389810 /nfs/dbraw/zinc/38/98/10/621389810.db2.gz YPVKRYWVWKLGSZ-RDJZCZTQSA-N 2 0 270.420 2.981 20 0 CFADRP CCSc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000903477321 621390882 /nfs/dbraw/zinc/39/08/82/621390882.db2.gz YFNDTJZHQRJRHK-TZMCWYRMSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1CC[NH3+] ZINC000903500208 621394259 /nfs/dbraw/zinc/39/42/59/621394259.db2.gz WCWWBVIQEWJPNC-GHMZBOCLSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903499418 621394361 /nfs/dbraw/zinc/39/43/61/621394361.db2.gz UGSSSYJNXCQACO-NRSFXHEJSA-N 2 0 288.435 2.823 20 0 CFADRP C[NH2+]C[C@@H]1CCCCN1CCCOCCc1ccccc1 ZINC000903529643 621396005 /nfs/dbraw/zinc/39/60/05/621396005.db2.gz OEZSBTBIIFGBEO-SFHVURJKSA-N 2 0 290.451 2.710 20 0 CFADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903564540 621396791 /nfs/dbraw/zinc/39/67/91/621396791.db2.gz YYPLZKOSDFUFLE-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[NH+](CCCC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718036 621425231 /nfs/dbraw/zinc/42/52/31/621425231.db2.gz YKORKPSLJWLWPP-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903718653 621425378 /nfs/dbraw/zinc/42/53/78/621425378.db2.gz QHTBXFSVFDUYRT-KRWDZBQOSA-N 2 0 288.435 2.586 20 0 CFADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCCC1 ZINC000903718461 621425416 /nfs/dbraw/zinc/42/54/16/621425416.db2.gz MVKGTYYNWSFYCW-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1OC ZINC000903718466 621425513 /nfs/dbraw/zinc/42/55/13/621425513.db2.gz MXSPPPKKWNGVLJ-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718656 621425707 /nfs/dbraw/zinc/42/57/07/621425707.db2.gz QIYYWCNCMOHYJG-KBRIMQKVSA-N 2 0 292.398 2.587 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903721693 621426015 /nfs/dbraw/zinc/42/60/15/621426015.db2.gz DIPIFOZOBYZEHF-INIZCTEOSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]2CCCC[C@H]12 ZINC000903722000 621426243 /nfs/dbraw/zinc/42/62/43/621426243.db2.gz GXGHIBQERNKYEQ-WKULXVSPSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)CC1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733114 621426333 /nfs/dbraw/zinc/42/63/33/621426333.db2.gz JWSSXQBYBUGJSA-KRWDZBQOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](c1cccs1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724927 621427788 /nfs/dbraw/zinc/42/77/88/621427788.db2.gz SIXXXVUMHSABQJ-ZIAGYGMSSA-N 2 0 294.464 2.900 20 0 CFADRP C[C@H](c1cccs1)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725471 621428006 /nfs/dbraw/zinc/42/80/06/621428006.db2.gz ZZBMWYYGYLSZCQ-UMVBOHGHSA-N 2 0 280.437 2.510 20 0 CFADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)C(C)C ZINC000903726943 621428243 /nfs/dbraw/zinc/42/82/43/621428243.db2.gz PERJUEZKKUAZLO-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](C)[C@H](C)[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903729262 621429474 /nfs/dbraw/zinc/42/94/74/621429474.db2.gz LKWRHUNJODHMNL-XJNFMUPTSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732242 621430117 /nfs/dbraw/zinc/43/01/17/621430117.db2.gz DNANKHATXQVWDH-VQHPVUNQSA-N 2 0 280.456 2.656 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCCC[NH2+]C2)C1 ZINC000903732604 621430370 /nfs/dbraw/zinc/43/03/70/621430370.db2.gz GSTWHYNGMLKSIA-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC2(C1)CCCCC2 ZINC000903734471 621433543 /nfs/dbraw/zinc/43/35/43/621433543.db2.gz RIWDUUSGWIVHMR-MRXNPFEDSA-N 2 0 292.467 2.801 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734110 621433587 /nfs/dbraw/zinc/43/35/87/621433587.db2.gz VJPRVCFFMRAIMR-XLMAVXFVSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@H](NC[C@@H]1CCCC[NH2+]C1)c1c(C)noc1C ZINC000903760220 621435975 /nfs/dbraw/zinc/43/59/75/621435975.db2.gz WEIDPTDVUGFVKB-KGLIPLIRSA-N 2 0 265.401 2.722 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2CF)C[C@H]1C[NH3+] ZINC000903760982 621436177 /nfs/dbraw/zinc/43/61/77/621436177.db2.gz MIZSHLCFYURZQJ-DVOMOZLQSA-N 2 0 264.388 2.961 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903762665 621436280 /nfs/dbraw/zinc/43/62/80/621436280.db2.gz CPVJMLVCUJMMRQ-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903756912 621438702 /nfs/dbraw/zinc/43/87/02/621438702.db2.gz XDMDGFBSQMZXBE-GJZGRUSLSA-N 2 0 276.428 2.553 20 0 CFADRP Cc1nc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)oc1C ZINC000903792508 621438941 /nfs/dbraw/zinc/43/89/41/621438941.db2.gz CKEBAGCCPMFPIZ-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2ccccc2CF)C[C@H]1C(F)(F)F ZINC000903781087 621441007 /nfs/dbraw/zinc/44/10/07/621441007.db2.gz NPTPFLJPZZXIJK-CHWSQXEVSA-N 2 0 290.304 2.725 20 0 CFADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816550 621443439 /nfs/dbraw/zinc/44/34/39/621443439.db2.gz ZCICOVZOYILICQ-OAHLLOKOSA-N 2 0 277.412 2.775 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H]2CCCCO2)CCC1 ZINC000903812650 621447620 /nfs/dbraw/zinc/44/76/20/621447620.db2.gz VPHXKACEUWRAHR-CABCVRRESA-N 2 0 266.429 2.539 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827200 621450956 /nfs/dbraw/zinc/45/09/56/621450956.db2.gz QJXGQXNJBKEZES-MRXNPFEDSA-N 2 0 282.497 2.984 20 0 CFADRP Fc1ccc(OC[C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000903826887 621451021 /nfs/dbraw/zinc/45/10/21/621451021.db2.gz MMKFKGHAUBLUQS-ZBFHGGJFSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCN1c1ccccc1 ZINC000903830913 621451790 /nfs/dbraw/zinc/45/17/90/621451790.db2.gz BCEMSSNDBHXTPY-IRXDYDNUSA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000903843315 621454516 /nfs/dbraw/zinc/45/45/16/621454516.db2.gz IIPGZRSYMXNWRQ-QEJZJMRPSA-N 2 0 283.375 2.653 20 0 CFADRP CC(C)COC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903887347 621459573 /nfs/dbraw/zinc/45/95/73/621459573.db2.gz ZEOQCECRVBYSSZ-MQVJKMGUSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887357 621459757 /nfs/dbraw/zinc/45/97/57/621459757.db2.gz ZLPLOMHFMWHREP-ZXFUBFMLSA-N 2 0 276.399 2.831 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903874589 621462321 /nfs/dbraw/zinc/46/23/21/621462321.db2.gz FGXMAAMRSCELQI-BBWFWOEESA-N 2 0 280.456 2.515 20 0 CFADRP C[C@H](c1ccccn1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904054 621468695 /nfs/dbraw/zinc/46/86/95/621468695.db2.gz ZYSYRHYWGXENEK-FFHGMXDLSA-N 2 0 259.397 2.605 20 0 CFADRP CCOc1ccccc1CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923272 621474468 /nfs/dbraw/zinc/47/44/68/621474468.db2.gz POWPOXNTLGOOHS-ZXFUBFMLSA-N 2 0 288.435 2.748 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000903939267 621474491 /nfs/dbraw/zinc/47/44/91/621474491.db2.gz FAXPRJYXNFLXOA-GFCCVEGCSA-N 2 0 282.403 2.730 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC(C)(C)[NH3+])CC2)C1 ZINC000903939303 621474767 /nfs/dbraw/zinc/47/47/67/621474767.db2.gz FUOOMBNBTDVFLN-ZBFHGGJFSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC(C)(C)[NH3+])CC2)C1 ZINC000903939300 621474963 /nfs/dbraw/zinc/47/49/63/621474963.db2.gz FUOOMBNBTDVFLN-GOEBONIOSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957300 621478457 /nfs/dbraw/zinc/47/84/57/621478457.db2.gz PRQRAHXQYDPUGN-YPMHNXCESA-N 2 0 286.341 2.591 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957320 621478716 /nfs/dbraw/zinc/47/87/16/621478716.db2.gz PUDGMPBWPONZLO-JHJVBQTASA-N 2 0 260.372 2.647 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000903948344 621485682 /nfs/dbraw/zinc/48/56/82/621485682.db2.gz OAPDXAKUBZWLSC-JFIYKMOQSA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000903947937 621485787 /nfs/dbraw/zinc/48/57/87/621485787.db2.gz IZOXPEYTMVGXFG-BCAXMMLOSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000903948346 621485852 /nfs/dbraw/zinc/48/58/52/621485852.db2.gz OAPDXAKUBZWLSC-RYRKJORJSA-N 2 0 294.483 2.903 20 0 CFADRP CCC1([NH3+])CCN([C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000903948605 621485936 /nfs/dbraw/zinc/48/59/36/621485936.db2.gz SFJWROBWCRVJGH-GJZGRUSLSA-N 2 0 267.461 2.501 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000903956192 621491037 /nfs/dbraw/zinc/49/10/37/621491037.db2.gz IOPUMLMFBXLFLZ-GXTWGEPZSA-N 2 0 268.351 2.625 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CCCCOc1ccccc1 ZINC000903956247 621491054 /nfs/dbraw/zinc/49/10/54/621491054.db2.gz JVLSGSVZTLJUQD-CQSZACIVSA-N 2 0 298.377 2.680 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974199 621492474 /nfs/dbraw/zinc/49/24/74/621492474.db2.gz LQEFSGNBAOUIAA-OUAUKWLOSA-N 2 0 252.324 2.553 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975088 621492702 /nfs/dbraw/zinc/49/27/02/621492702.db2.gz WXXRDYQTTWSWCC-OIISXLGYSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974448 621492730 /nfs/dbraw/zinc/49/27/30/621492730.db2.gz NCEPNYUUYDVGMZ-MBNYWOFBSA-N 2 0 252.427 2.514 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1OC(F)F ZINC000903974903 621493174 /nfs/dbraw/zinc/49/31/74/621493174.db2.gz VBJNDPZMIXNYOV-VXGBXAGGSA-N 2 0 284.350 2.623 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903978875 621494013 /nfs/dbraw/zinc/49/40/13/621494013.db2.gz NZBBHBMDSJGFPV-TZMCWYRMSA-N 2 0 266.816 2.984 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1CC[NH3+] ZINC000903978507 621494060 /nfs/dbraw/zinc/49/40/60/621494060.db2.gz OOZZTAPOPXDQRB-UKRRQHHQSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000903967737 621496328 /nfs/dbraw/zinc/49/63/28/621496328.db2.gz MPKNMVFDDLMNNI-KXNHARMFSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000903987322 621499435 /nfs/dbraw/zinc/49/94/35/621499435.db2.gz ZPVBMBQAVPLXFS-MRLCAUJQSA-N 3 0 293.499 2.761 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903988472 621500314 /nfs/dbraw/zinc/50/03/14/621500314.db2.gz SQKBSJWLTSWWJQ-CVEARBPZSA-N 2 0 275.440 2.928 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000904298288 621567993 /nfs/dbraw/zinc/56/79/93/621567993.db2.gz UTPCTOZSMRBSJJ-JYJNAYRXSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000904298292 621568167 /nfs/dbraw/zinc/56/81/67/621568167.db2.gz UTPCTOZSMRBSJJ-PMPSAXMXSA-N 2 0 281.488 2.604 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1[NH3+] ZINC000904301053 621569025 /nfs/dbraw/zinc/56/90/25/621569025.db2.gz FKGIKIXQXXSIGW-GOEBONIOSA-N 2 0 274.408 2.571 20 0 CFADRP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315949 621569707 /nfs/dbraw/zinc/56/97/07/621569707.db2.gz GTASMBRTOIJCKQ-VBQJREDUSA-N 2 0 298.434 2.930 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904303710 621569767 /nfs/dbraw/zinc/56/97/67/621569767.db2.gz DMUYPXOKQIRJEU-QGZVFWFLSA-N 2 0 290.407 2.627 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2CCc2ccccc2)C1 ZINC000904308173 621570006 /nfs/dbraw/zinc/57/00/06/621570006.db2.gz LEVFAWRPAQKTFQ-BBWFWOEESA-N 2 0 258.409 2.821 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000904307245 621570269 /nfs/dbraw/zinc/57/02/69/621570269.db2.gz MSFDFECXXUENRS-VHDGCEQUSA-N 2 0 262.422 2.514 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904312435 621570876 /nfs/dbraw/zinc/57/08/76/621570876.db2.gz PNVTXGDKWVDWFR-KRWDZBQOSA-N 2 0 276.424 2.777 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904310152 621571185 /nfs/dbraw/zinc/57/11/85/621571185.db2.gz XFNNSSJWCGYMPD-SFHVURJKSA-N 2 0 290.451 2.567 20 0 CFADRP CCC[NH+]1CCC(N(C)C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904313610 621571645 /nfs/dbraw/zinc/57/16/45/621571645.db2.gz WWJLYEGMLOCOSZ-OAHLLOKOSA-N 2 0 283.504 2.946 20 0 CFADRP C[C@H]1SCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000904324110 621574763 /nfs/dbraw/zinc/57/47/63/621574763.db2.gz UVRNJOYSNPALQO-VDERGJSUSA-N 2 0 276.449 2.902 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904324945 621575430 /nfs/dbraw/zinc/57/54/30/621575430.db2.gz NOBGIVRQVYCADC-HZPDHXFCSA-N 2 0 283.504 2.804 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326595 621576331 /nfs/dbraw/zinc/57/63/31/621576331.db2.gz NGQRVSWBHXLDPT-NXHRZFHOSA-N 3 0 293.499 2.700 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(CC)CC ZINC000904329415 621577152 /nfs/dbraw/zinc/57/71/52/621577152.db2.gz YYIBPNPDXNYUDH-BARDWOONSA-N 2 0 268.445 2.639 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000904340649 621578021 /nfs/dbraw/zinc/57/80/21/621578021.db2.gz ATDURNAHCARUNY-SFHVURJKSA-N 2 0 287.451 2.959 20 0 CFADRP Cc1cc(Br)ccc1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341162 621578394 /nfs/dbraw/zinc/57/83/94/621578394.db2.gz JNQNCLGNZOUDCR-VDISTLRHSA-N 2 0 297.240 2.927 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904342329 621578677 /nfs/dbraw/zinc/57/86/77/621578677.db2.gz DHVCVBXUCBTCJE-DLBZAZTESA-N 2 0 295.515 2.804 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000904343804 621578855 /nfs/dbraw/zinc/57/88/55/621578855.db2.gz XLPCJZMAVWVBTD-HZPDHXFCSA-N 2 0 282.472 2.889 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1)CC1CC1 ZINC000904342899 621579109 /nfs/dbraw/zinc/57/91/09/621579109.db2.gz PEKYHUFHAHEAMN-HDICACEKSA-N 3 0 293.499 2.558 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000904346591 621579288 /nfs/dbraw/zinc/57/92/88/621579288.db2.gz UTRQFJSCTBOAEK-IEAZIUSSSA-N 2 0 292.398 2.715 20 0 CFADRP COCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[C@H](C)C1 ZINC000904345163 621579298 /nfs/dbraw/zinc/57/92/98/621579298.db2.gz DTQFYPUQGCAPFK-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000904346053 621579816 /nfs/dbraw/zinc/57/98/16/621579816.db2.gz PRDXWQGIZINLIK-SJORKVTESA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cccc3c2CCCN3)CCC[NH2+]C1 ZINC000904355886 621581560 /nfs/dbraw/zinc/58/15/60/621581560.db2.gz XLYUFUXDMVSXLP-QGZVFWFLSA-N 2 0 273.424 2.524 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCN3)CCC[NH2+]C1 ZINC000904355211 621581730 /nfs/dbraw/zinc/58/17/30/621581730.db2.gz OHFULTUMHDBPQB-KRWDZBQOSA-N 2 0 273.424 2.524 20 0 CFADRP C[C@]1(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000904360441 621582986 /nfs/dbraw/zinc/58/29/86/621582986.db2.gz KRVVXJYUWRWSIA-OALUTQOASA-N 2 0 298.430 2.853 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC(C[NH3+])C1 ZINC000904367006 621583333 /nfs/dbraw/zinc/58/33/33/621583333.db2.gz TZBRYQMPPKCFAO-AVVWSFFYSA-N 2 0 264.388 2.720 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000904368127 621584160 /nfs/dbraw/zinc/58/41/60/621584160.db2.gz IHJRJKIKLBFAGF-WZRBSPASSA-N 2 0 278.400 2.505 20 0 CFADRP C[C@@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)Cc1cccs1 ZINC000904363693 621585432 /nfs/dbraw/zinc/58/54/32/621585432.db2.gz BIKZFQAQDDIVFC-HIFRSBDPSA-N 2 0 266.454 2.906 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904366513 621585834 /nfs/dbraw/zinc/58/58/34/621585834.db2.gz MPLZJMBMHDWNOQ-JKSUJKDBSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904365101 621585915 /nfs/dbraw/zinc/58/59/15/621585915.db2.gz VVDKRGHGVQYORC-KRWDZBQOSA-N 2 0 260.425 2.825 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCC[NH2+]C1 ZINC000904388425 621586407 /nfs/dbraw/zinc/58/64/07/621586407.db2.gz JIIFGUWGIZPDRD-RYUDHWBXSA-N 2 0 294.336 2.743 20 0 CFADRP C[C@@H]1C[NH+](C[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000904379928 621587727 /nfs/dbraw/zinc/58/77/27/621587727.db2.gz FNAUTHHKKJXDDT-UPJWGTAASA-N 2 0 260.372 2.599 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2F)CC2CC2)C1 ZINC000904378701 621587775 /nfs/dbraw/zinc/58/77/75/621587775.db2.gz IXTDJJPIERDTMQ-OTVXOJSOSA-N 2 0 262.372 2.775 20 0 CFADRP Cc1csc([C@@H]2CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904384056 621588308 /nfs/dbraw/zinc/58/83/08/621588308.db2.gz HOFXBUUCAAAJQU-UKRRQHHQSA-N 2 0 279.453 2.631 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CCC[NH2+]C1 ZINC000904383828 621588453 /nfs/dbraw/zinc/58/84/53/621588453.db2.gz FIVUSIDPHJZYIO-IRXDYDNUSA-N 2 0 292.398 2.669 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904406014 621590203 /nfs/dbraw/zinc/59/02/03/621590203.db2.gz NKPAIWBIVJOMEI-AWEZNQCLSA-N 2 0 284.407 2.556 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000904405168 621590564 /nfs/dbraw/zinc/59/05/64/621590564.db2.gz GELZFZMAFIANQS-HNNXBMFYSA-N 2 0 281.403 2.919 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904409679 621590834 /nfs/dbraw/zinc/59/08/34/621590834.db2.gz GEMAQMIARVRHQV-AWEZNQCLSA-N 2 0 284.407 2.556 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@H]1C[NH3+] ZINC000904409868 621590888 /nfs/dbraw/zinc/59/08/88/621590888.db2.gz AFANDPCLGLCBCO-AAEUAGOBSA-N 2 0 279.453 2.827 20 0 CFADRP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406698 621590916 /nfs/dbraw/zinc/59/09/16/621590916.db2.gz UPBLMXMSHXTTDB-CQSZACIVSA-N 2 0 286.423 2.617 20 0 CFADRP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@H](CC[NH3+])C3)n2)cc1 ZINC000904407425 621591442 /nfs/dbraw/zinc/59/14/42/621591442.db2.gz VXVJAHDGNTXXDK-AWEZNQCLSA-N 2 0 296.418 2.502 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410645 621591590 /nfs/dbraw/zinc/59/15/90/621591590.db2.gz QHEONBURVQNFKJ-TZMCWYRMSA-N 2 0 264.388 2.805 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C[NH3+] ZINC000904410411 621591921 /nfs/dbraw/zinc/59/19/21/621591921.db2.gz DHGQSLIHADSXFP-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904410416 621591946 /nfs/dbraw/zinc/59/19/46/621591946.db2.gz DIDYAKNPMMTSDV-ZFWWWQNUSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@@H]1CN(Cc2cc(F)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC000904410496 621591960 /nfs/dbraw/zinc/59/19/60/621591960.db2.gz GEONHQCGFVIKDK-NXEZZACHSA-N 2 0 272.314 2.521 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@@H]1C[NH3+] ZINC000904411656 621592556 /nfs/dbraw/zinc/59/25/56/621592556.db2.gz OYVTXSCZEIDWBK-UONOGXRCSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411743 621592786 /nfs/dbraw/zinc/59/27/86/621592786.db2.gz XVYFUAFSZSNOTF-SIXLDLHFSA-N 2 0 258.409 2.707 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cscc2Cl)CC[C@H]1C[NH3+] ZINC000904412749 621593207 /nfs/dbraw/zinc/59/32/07/621593207.db2.gz YLRDSUQJFYGXRJ-ZJUUUORDSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1[NH3+] ZINC000904415515 621593903 /nfs/dbraw/zinc/59/39/03/621593903.db2.gz PIYFFFWFRKNPPI-XBVQOTNRSA-N 2 0 258.409 2.776 20 0 CFADRP Cn1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000904415868 621594039 /nfs/dbraw/zinc/59/40/39/621594039.db2.gz CGXONUNOQKRREV-MRXNPFEDSA-N 2 0 275.440 2.627 20 0 CFADRP c1cc2cnccc2c(CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904430898 621595186 /nfs/dbraw/zinc/59/51/86/621595186.db2.gz NHPBQBCBTKETLL-SFHVURJKSA-N 2 0 281.403 2.953 20 0 CFADRP COc1ccc(C[C@@H](C)CN[C@@H]2C[NH2+]CC2(C)C)cc1F ZINC000904461608 621596893 /nfs/dbraw/zinc/59/68/93/621596893.db2.gz KEIBCDFZNBOOPD-MLGOLLRUSA-N 2 0 294.414 2.601 20 0 CFADRP CCc1ncc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)s1 ZINC000904444061 621598626 /nfs/dbraw/zinc/59/86/26/621598626.db2.gz NZOBXUPWVWNYHK-UHFFFAOYSA-N 2 0 281.469 2.902 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC000904443888 621598633 /nfs/dbraw/zinc/59/86/33/621598633.db2.gz JFAITPJRIDOVMG-LALPHHSUSA-N 2 0 278.371 2.627 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000904442314 621598739 /nfs/dbraw/zinc/59/87/39/621598739.db2.gz DNBKJHFHOQBOQU-UHFFFAOYSA-N 2 0 286.423 2.531 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)cc2c1OCC2 ZINC000904442256 621598767 /nfs/dbraw/zinc/59/87/67/621598767.db2.gz CGGNALHKDJIASD-NSHDSACASA-N 2 0 294.826 2.925 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000904474816 621601725 /nfs/dbraw/zinc/60/17/25/621601725.db2.gz KZMMYVMLELUDFY-GJZGRUSLSA-N 2 0 298.434 2.897 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000904475517 621601733 /nfs/dbraw/zinc/60/17/33/621601733.db2.gz LGOQJYLJHPRELL-QGZVFWFLSA-N 2 0 276.424 2.559 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)s1 ZINC000904860002 621656481 /nfs/dbraw/zinc/65/64/81/621656481.db2.gz WCACGBKXGZCLNV-ZDUSSCGKSA-N 2 0 288.420 2.691 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000905054219 621686840 /nfs/dbraw/zinc/68/68/40/621686840.db2.gz GLHMLDOEXSYFJM-AEFFLSMTSA-N 2 0 290.451 2.740 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc(C)c2)CC1 ZINC000905136092 621708376 /nfs/dbraw/zinc/70/83/76/621708376.db2.gz KIDOSALNMSTPCN-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906157713 621935735 /nfs/dbraw/zinc/93/57/35/621935735.db2.gz IVSLMCIABHLZTL-INIZCTEOSA-N 2 0 296.418 2.672 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccccc3O)c2)CC1 ZINC000906169525 621942668 /nfs/dbraw/zinc/94/26/68/621942668.db2.gz XVVYSBHESTYHSZ-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000906509223 621995005 /nfs/dbraw/zinc/99/50/05/621995005.db2.gz BCLWKNGMQKDHPX-UHFFFAOYSA-N 2 0 292.386 2.605 20 0 CFADRP CC[C@H]1c2ccsc2CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000908515211 622238072 /nfs/dbraw/zinc/23/80/72/622238072.db2.gz JCZJHTVTCYHVDJ-HIFRSBDPSA-N 2 0 294.464 2.514 20 0 CFADRP CC1(C)CC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000819943164 622578402 /nfs/dbraw/zinc/57/84/02/622578402.db2.gz GZOXCZBRUIRKKG-OAHLLOKOSA-N 2 0 294.414 2.758 20 0 CFADRP CC1(C)CC([NH2+]C[C@H](O)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000819943162 622578833 /nfs/dbraw/zinc/57/88/33/622578833.db2.gz GZOXCZBRUIRKKG-HNNXBMFYSA-N 2 0 294.414 2.758 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C[C@H](C)O ZINC000820811652 622763454 /nfs/dbraw/zinc/76/34/54/622763454.db2.gz TXYYOAXKBBSWFJ-QLFBSQMISA-N 2 0 278.440 2.806 20 0 CFADRP CC(C)[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820813729 622764222 /nfs/dbraw/zinc/76/42/22/622764222.db2.gz ASVBMTLTTAVFGW-ZNXRZULTSA-N 2 0 291.483 2.607 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000820824410 622767943 /nfs/dbraw/zinc/76/79/43/622767943.db2.gz SHHZPRYAECOQPW-GUYCJALGSA-N 2 0 298.434 2.679 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccnn1CC1CCC1 ZINC000924856371 622876915 /nfs/dbraw/zinc/87/69/15/622876915.db2.gz XDEXYRVTHJWULN-CQSZACIVSA-N 2 0 278.444 2.676 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165074751 622980537 /nfs/dbraw/zinc/98/05/37/622980537.db2.gz ICEKOGNLTIBPSJ-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000224296688 623001205 /nfs/dbraw/zinc/00/12/05/623001205.db2.gz XVUNMZLKSPJXAK-IACUBPJLSA-N 2 0 256.459 2.590 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000228495157 623145901 /nfs/dbraw/zinc/14/59/01/623145901.db2.gz UKMLNMPTHHTOBE-LBPRGKRZSA-N 2 0 294.826 2.836 20 0 CFADRP Fc1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199991 623332577 /nfs/dbraw/zinc/33/25/77/623332577.db2.gz ANNBUMVETVEEFL-MRXNPFEDSA-N 2 0 292.398 2.669 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccs2)C1 ZINC000173886229 623373784 /nfs/dbraw/zinc/37/37/84/623373784.db2.gz VHMCSZSBAKULLT-CYBMUJFWSA-N 2 0 252.427 2.564 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000840745869 623484285 /nfs/dbraw/zinc/48/42/85/623484285.db2.gz PYOYJMPQPGPPEU-NUJGCVRESA-N 2 0 290.451 2.678 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C[C@@H]21 ZINC000929696779 623514533 /nfs/dbraw/zinc/51/45/33/623514533.db2.gz PBXATQCMNSKBFP-TUVASFSCSA-N 2 0 284.394 2.695 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2cccnc2)C1 ZINC000929762863 623614254 /nfs/dbraw/zinc/61/42/54/623614254.db2.gz JVGFHEOYIQZSRG-SFHVURJKSA-N 2 0 287.451 2.678 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152425557 623702820 /nfs/dbraw/zinc/70/28/20/623702820.db2.gz PXZFAGRZCVYBFL-OLZOCXBDSA-N 2 0 270.486 2.981 20 0 CFADRP Cc1ccc(NC(=O)c2cccc(C[NH3+])c2)c(C[NH+](C)C)c1 ZINC000829613109 624470026 /nfs/dbraw/zinc/47/00/26/624470026.db2.gz QUFLVWPHFJBYBW-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1OC ZINC000925471280 624610299 /nfs/dbraw/zinc/61/02/99/624610299.db2.gz BOHIPDUEOVXAPD-KGLIPLIRSA-N 2 0 292.423 2.699 20 0 CFADRP C[C@H]([NH3+])[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000925473192 624622601 /nfs/dbraw/zinc/62/26/01/624622601.db2.gz KRCLEBKJSSWGDX-KSSFIOAISA-N 2 0 287.451 2.539 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921469123 624885074 /nfs/dbraw/zinc/88/50/74/624885074.db2.gz AYUICCGHBHLZOU-KGLIPLIRSA-N 2 0 258.475 2.982 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000834851055 625901655 /nfs/dbraw/zinc/90/16/55/625901655.db2.gz SWMBTMWYPUXQKY-HOCLYGCPSA-N 2 0 294.414 2.632 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)nc1 ZINC000817970547 625967458 /nfs/dbraw/zinc/96/74/58/625967458.db2.gz ZQLAVPRZCHTBQV-MVWJERBFSA-N 2 0 298.228 2.765 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2O1 ZINC000921550429 625984834 /nfs/dbraw/zinc/98/48/34/625984834.db2.gz PYUZXFTUTGGXTK-COXVUDFISA-N 2 0 286.419 2.726 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000921561353 625989546 /nfs/dbraw/zinc/98/95/46/625989546.db2.gz DDPDVKSSYHWZFG-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)cnc2Cl)CC1 ZINC000921686971 626080026 /nfs/dbraw/zinc/08/00/26/626080026.db2.gz SOQUZIWFWSBJCQ-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000230221230 626102093 /nfs/dbraw/zinc/10/20/93/626102093.db2.gz OMZWAZFHYHHDLJ-LSDHHAIUSA-N 2 0 270.461 2.686 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921783520 626121297 /nfs/dbraw/zinc/12/12/97/626121297.db2.gz DUKSFVQYAJTZEH-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CC2(N(C)C)CCC2)C1 ZINC000922037761 626199733 /nfs/dbraw/zinc/19/97/33/626199733.db2.gz IWTYIPUUTBGLQT-CHWSQXEVSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C[NH+]1CCCC1 ZINC000922053657 626201661 /nfs/dbraw/zinc/20/16/61/626201661.db2.gz VCHJGYXYLGTWJC-YESZJQIVSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC000922254399 626252829 /nfs/dbraw/zinc/25/28/29/626252829.db2.gz JSQHSZGIIVUUKU-OIISXLGYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCS1)C1CC[NH+](C)CC1 ZINC000158020726 626257396 /nfs/dbraw/zinc/25/73/96/626257396.db2.gz IZCONSSGEYGHDC-GXTWGEPZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CN1C1CC1 ZINC000922846621 626379598 /nfs/dbraw/zinc/37/95/98/626379598.db2.gz COPUPSLWTADECZ-VUGNNNGISA-N 2 0 291.483 2.608 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000922844597 626380380 /nfs/dbraw/zinc/38/03/80/626380380.db2.gz FXJTWBBKYYXZLG-WLYUNCDWSA-N 2 0 268.470 2.736 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851733956 634499485 /nfs/dbraw/zinc/49/94/85/634499485.db2.gz KYJLEBACNZTNSF-UHFFFAOYSA-N 2 0 265.228 2.969 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@]23C[C@H]2CCC3)cc1 ZINC000922964904 626435291 /nfs/dbraw/zinc/43/52/91/626435291.db2.gz KOPOHDNUFWOURK-AEFFLSMTSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCC[NH2+]C1CC1 ZINC000923302645 626464410 /nfs/dbraw/zinc/46/44/10/626464410.db2.gz ZBQMIDPQZWUNON-GFCCVEGCSA-N 2 0 250.361 2.961 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303694 626464438 /nfs/dbraw/zinc/46/44/38/626464438.db2.gz ILWHSKVYDMYDAN-DOMZBBRYSA-N 2 0 294.826 2.711 20 0 CFADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c(C)c1 ZINC000923305301 626464735 /nfs/dbraw/zinc/46/47/35/626464735.db2.gz XDGOGZHZTZLIGZ-CVEARBPZSA-N 2 0 288.435 2.675 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CC1)[C@H](C)c1cccc(O)c1 ZINC000923306230 626464771 /nfs/dbraw/zinc/46/47/71/626464771.db2.gz ILZJOMYHRMABBP-CYBMUJFWSA-N 2 0 262.397 2.917 20 0 CFADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000923316009 626465172 /nfs/dbraw/zinc/46/51/72/626465172.db2.gz CGVOESWUZMOESD-INIZCTEOSA-N 2 0 292.467 2.801 20 0 CFADRP CC[N@@H+](CCc1ccccn1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323268 626466578 /nfs/dbraw/zinc/46/65/78/626466578.db2.gz WULMLTZTVPSGGS-ZNXRZULTSA-N 2 0 287.451 2.867 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325698 626466841 /nfs/dbraw/zinc/46/68/41/626466841.db2.gz GBTIGDKBWSKICT-XFYFCPPXSA-N 3 0 293.499 2.571 20 0 CFADRP CCCCCC[C@@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923334936 626467029 /nfs/dbraw/zinc/46/70/29/626467029.db2.gz HKTLPJVRDBNEOQ-JKSUJKDBSA-N 2 0 270.461 2.782 20 0 CFADRP CC(C)(C)c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)co1 ZINC000923332015 626467725 /nfs/dbraw/zinc/46/77/25/626467725.db2.gz NVRPULOEUUALKT-UHFFFAOYSA-N 2 0 277.412 2.548 20 0 CFADRP C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366043 626468890 /nfs/dbraw/zinc/46/88/90/626468890.db2.gz YURPSNMSDQANBQ-OOHRUWKFSA-N 2 0 291.483 2.514 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923361112 626468985 /nfs/dbraw/zinc/46/89/85/626468985.db2.gz CXJZPUIJORIOCS-IKGGRYGDSA-N 2 0 282.472 2.639 20 0 CFADRP c1ccc([C@@H]2C[NH2+]CCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923375886 626469246 /nfs/dbraw/zinc/46/92/46/626469246.db2.gz RCDUAKVICMOURT-DQXYTYHJSA-N 2 0 299.462 2.554 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCCO2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923372952 626469349 /nfs/dbraw/zinc/46/93/49/626469349.db2.gz KSNRQOZNLYPJMB-NXCDMZCRSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1coc(C(C)(C)C)n1)CC[NH2+]CC2 ZINC000923383919 626469731 /nfs/dbraw/zinc/46/97/31/626469731.db2.gz OKCSXOFDKKVNMZ-CYBMUJFWSA-N 2 0 291.439 2.936 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923389466 626470514 /nfs/dbraw/zinc/47/05/14/626470514.db2.gz RDMBMVOUBWWSBU-ZWKOTPCHSA-N 2 0 294.483 2.639 20 0 CFADRP Cc1cccc([C@@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)C(C)C)c1 ZINC000923404299 626471104 /nfs/dbraw/zinc/47/11/04/626471104.db2.gz YQIIIPVHJDVDBT-SJORKVTESA-N 2 0 288.435 2.660 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000923415193 626471496 /nfs/dbraw/zinc/47/14/96/626471496.db2.gz OZQCMHQGQDPGHF-DOTOQJQBSA-N 2 0 294.414 2.556 20 0 CFADRP C[C@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)CC(C)(C)C ZINC000923444261 626473324 /nfs/dbraw/zinc/47/33/24/626473324.db2.gz IDEGYVHXKFCROH-GJZGRUSLSA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC1CCC3(CC3)CC1)CC2 ZINC000923443542 626473327 /nfs/dbraw/zinc/47/33/27/626473327.db2.gz STANGONCMYDQNV-INIZCTEOSA-N 2 0 292.467 2.787 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923487164 626475954 /nfs/dbraw/zinc/47/59/54/626475954.db2.gz ABUSIZIMKUVXCM-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495298 626476293 /nfs/dbraw/zinc/47/62/93/626476293.db2.gz AIDWRUXYMZQXBA-AGIUHOORSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923496413 626476586 /nfs/dbraw/zinc/47/65/86/626476586.db2.gz IAUZGYOFTODYOL-WCQYABFASA-N 2 0 284.350 2.705 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)co2)CC[C@H]1C[NH3+] ZINC000923492711 626476642 /nfs/dbraw/zinc/47/66/42/626476642.db2.gz ZAJXRKLHAIAXEE-UWVGGRQHSA-N 2 0 276.302 2.715 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccsc2Cl)CC[C@H]1C[NH3+] ZINC000923492673 626476718 /nfs/dbraw/zinc/47/67/18/626476718.db2.gz YOHSCNKWSVKXSA-UWVGGRQHSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1C[NH3+] ZINC000923491513 626476724 /nfs/dbraw/zinc/47/67/24/626476724.db2.gz IGOILWUJSGBYSS-ARLBYUKCSA-N 2 0 294.389 2.952 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1C[NH3+] ZINC000923495111 626476908 /nfs/dbraw/zinc/47/69/08/626476908.db2.gz TUQWGPDLWYYRKV-SUMWQHHRSA-N 2 0 258.409 2.592 20 0 CFADRP CCCCc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923502736 626476923 /nfs/dbraw/zinc/47/69/23/626476923.db2.gz YVTCZJMZWHZDNS-OLZOCXBDSA-N 2 0 281.469 2.902 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(C)s1 ZINC000923494874 626476980 /nfs/dbraw/zinc/47/69/80/626476980.db2.gz PVUHKCMPVJPWFT-GXFFZTMASA-N 2 0 252.427 2.782 20 0 CFADRP C[C@H]1C[N@H+](Cc2csc(-c3ccco3)n2)CC[C@H]1C[NH3+] ZINC000923498829 626477073 /nfs/dbraw/zinc/47/70/73/626477073.db2.gz QDKVZRUNQIJDQS-RYUDHWBXSA-N 2 0 291.420 2.820 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923496807 626477120 /nfs/dbraw/zinc/47/71/20/626477120.db2.gz JORWSJJFONVMCR-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1SC ZINC000923498890 626477149 /nfs/dbraw/zinc/47/71/49/626477149.db2.gz QPXIJKBIGUPWJF-GXTWGEPZSA-N 2 0 294.464 2.834 20 0 CFADRP C[C@H]1C[N@H+](CCCOCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499019 626477202 /nfs/dbraw/zinc/47/72/02/626477202.db2.gz QAPUXBDZQROIKE-RDJZCZTQSA-N 2 0 276.424 2.510 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000923496966 626477215 /nfs/dbraw/zinc/47/72/15/626477215.db2.gz DBECXIFICFTHJA-UKRRQHHQSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923500683 626477424 /nfs/dbraw/zinc/47/74/24/626477424.db2.gz WVOKECMFBJZFRU-CMPLNLGQSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2Br)CC[C@H]1C[NH3+] ZINC000923504873 626477576 /nfs/dbraw/zinc/47/75/76/626477576.db2.gz VFGHJJNWDFPSNS-RYUDHWBXSA-N 2 0 297.240 2.866 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2Br)CC[C@H]1C[NH3+] ZINC000923504871 626477637 /nfs/dbraw/zinc/47/76/37/626477637.db2.gz VFGHJJNWDFPSNS-NEPJUHHUSA-N 2 0 297.240 2.866 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923505252 626477736 /nfs/dbraw/zinc/47/77/36/626477736.db2.gz ZDSBTGNORADEOC-JSGCOSHPSA-N 2 0 264.438 2.825 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@H]1CCCO1 ZINC000923506470 626477754 /nfs/dbraw/zinc/47/77/54/626477754.db2.gz JAGLDHSFWBZLLG-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923505115 626477781 /nfs/dbraw/zinc/47/77/81/626477781.db2.gz YPOSUPZBFOECRZ-DZGCQCFKSA-N 2 0 285.391 2.758 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000923505988 626477790 /nfs/dbraw/zinc/47/77/90/626477790.db2.gz FDLFLKLYYPAEIP-QGZVFWFLSA-N 2 0 287.451 2.992 20 0 CFADRP C(C1CCOCC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505034 626477799 /nfs/dbraw/zinc/47/77/99/626477799.db2.gz KZBZXACUHSXNIL-INIZCTEOSA-N 2 0 280.456 2.515 20 0 CFADRP c1cncc(CC[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923506883 626477850 /nfs/dbraw/zinc/47/78/50/626477850.db2.gz LQPKCQUWRUOEBE-QGZVFWFLSA-N 2 0 287.451 2.726 20 0 CFADRP c1cc(C2CC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516196 626478270 /nfs/dbraw/zinc/47/82/70/626478270.db2.gz UUJUEKBFKMOHSY-DLBZAZTESA-N 2 0 256.393 2.605 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517583 626478494 /nfs/dbraw/zinc/47/84/94/626478494.db2.gz FJFRIYDXKHMUIS-SQWLQELKSA-N 2 0 262.372 2.818 20 0 CFADRP CO[C@@H](CN1CC[C@]2(C1)CCCC[NH2+]2)C1CCCCC1 ZINC000923533438 626478962 /nfs/dbraw/zinc/47/89/62/626478962.db2.gz LGGXIFOKSIIQCZ-IRXDYDNUSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccccc1CCCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533000 626479038 /nfs/dbraw/zinc/47/90/38/626479038.db2.gz IHSFWHRGSPRODE-GOSISDBHSA-N 2 0 288.435 2.846 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000923550954 626479530 /nfs/dbraw/zinc/47/95/30/626479530.db2.gz HSYSZZXJRRLSEQ-HNNXBMFYSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000923551327 626479546 /nfs/dbraw/zinc/47/95/46/626479546.db2.gz MVEZBOUQDLMTGU-GJZGRUSLSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000923551328 626479590 /nfs/dbraw/zinc/47/95/90/626479590.db2.gz MVEZBOUQDLMTGU-HUUCEWRRSA-N 2 0 293.480 2.706 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1C ZINC000774375374 626481488 /nfs/dbraw/zinc/48/14/88/626481488.db2.gz ABFOMXRDFUHIGW-HNNXBMFYSA-N 2 0 294.439 2.541 20 0 CFADRP c1nc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)co1 ZINC000758361694 626589861 /nfs/dbraw/zinc/58/98/61/626589861.db2.gz OCDCOWAHBAGHRB-UHFFFAOYSA-N 2 0 263.385 2.561 20 0 CFADRP Cc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)c(C)o1 ZINC000763619572 627001114 /nfs/dbraw/zinc/00/11/14/627001114.db2.gz MBJZDNYUGCZKMB-OAHLLOKOSA-N 2 0 250.386 2.813 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000765509617 627144281 /nfs/dbraw/zinc/14/42/81/627144281.db2.gz ODLVBZVAVKEECY-AWEZNQCLSA-N 2 0 295.386 2.694 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000765782993 627157719 /nfs/dbraw/zinc/15/77/19/627157719.db2.gz IRWINOGFYZMEQM-CQSZACIVSA-N 2 0 280.799 2.705 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000765799576 627158330 /nfs/dbraw/zinc/15/83/30/627158330.db2.gz XSAQAMTUKZSELZ-BBWFWOEESA-N 2 0 280.456 2.798 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000765849125 627161069 /nfs/dbraw/zinc/16/10/69/627161069.db2.gz NAOMFSGGRBPWBD-DOTOQJQBSA-N 2 0 289.467 2.963 20 0 CFADRP Cc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000766122581 627179845 /nfs/dbraw/zinc/17/98/45/627179845.db2.gz KPTSJLFGAQOOFZ-WMZOPIPTSA-N 2 0 288.435 2.790 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cnccn1 ZINC000766513949 627206599 /nfs/dbraw/zinc/20/65/99/627206599.db2.gz UIBSQFLMNQEVSI-QQFBHYJXSA-N 2 0 288.439 2.924 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000766534143 627208284 /nfs/dbraw/zinc/20/82/84/627208284.db2.gz HEUANKMZGIKLOX-AEFFLSMTSA-N 2 0 290.451 2.929 20 0 CFADRP FCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766994421 627230365 /nfs/dbraw/zinc/23/03/65/627230365.db2.gz XVWUQJRQHIUAOK-IRXDYDNUSA-N 2 0 276.399 2.942 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000769337625 627426390 /nfs/dbraw/zinc/42/63/90/627426390.db2.gz GKSDHMGJXLPLDX-KRWDZBQOSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC(C(F)F)C2)C1 ZINC000769497072 627447716 /nfs/dbraw/zinc/44/77/16/627447716.db2.gz UXYZYGWWOODYID-FEPKRQSRSA-N 2 0 274.399 2.988 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc3c(c2)COC3)C1 ZINC000769502906 627448514 /nfs/dbraw/zinc/44/85/14/627448514.db2.gz FAIIRYSPCAWISJ-MRXNPFEDSA-N 2 0 288.435 2.881 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)nc1 ZINC000771390610 627601403 /nfs/dbraw/zinc/60/14/03/627601403.db2.gz PJVZGQUHAIAFDS-MDZLAQPJSA-N 2 0 267.804 2.868 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000772950624 627761183 /nfs/dbraw/zinc/76/11/83/627761183.db2.gz KJHMBYWDOOEKKY-HOTGVXAUSA-N 2 0 276.424 2.836 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1cccc(F)c1 ZINC000773047247 627774256 /nfs/dbraw/zinc/77/42/56/627774256.db2.gz NYXDOPVVIWWGBB-GDZNZVCISA-N 2 0 294.414 2.568 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000774123926 627891133 /nfs/dbraw/zinc/89/11/33/627891133.db2.gz RZAAEQWLJPHQQA-OOKSDGMUSA-N 3 0 293.499 2.856 20 0 CFADRP C[C@@H]1CC[C@@H](C)C1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000777128502 628202567 /nfs/dbraw/zinc/20/25/67/628202567.db2.gz BDEULFFOLFJWKH-CHWSQXEVSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000783221830 628688180 /nfs/dbraw/zinc/68/81/80/628688180.db2.gz DHLSRAAXYGFIPQ-BXUZGUMPSA-N 2 0 259.328 2.900 20 0 CFADRP COc1ccc2c(NCC3CC[NH+](C)CC3)cc[nH+]c2c1 ZINC000784148517 628783642 /nfs/dbraw/zinc/78/36/42/628783642.db2.gz UPVKCFMZCNJJQD-UHFFFAOYSA-N 2 0 285.391 2.997 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788484006 629074022 /nfs/dbraw/zinc/07/40/22/629074022.db2.gz UNZMJMXRSUQHRK-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000788786181 629099514 /nfs/dbraw/zinc/09/95/14/629099514.db2.gz WKEXUWHFMCQXNE-ZDUSSCGKSA-N 2 0 277.412 2.560 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000793526377 629562064 /nfs/dbraw/zinc/56/20/64/629562064.db2.gz RGGYPPZFNBLNMK-GDBMZVCRSA-N 2 0 292.471 2.891 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000798182367 630161818 /nfs/dbraw/zinc/16/18/18/630161818.db2.gz HUDSSECMGWDCEC-OAHLLOKOSA-N 2 0 294.826 2.843 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3[nH]nc4ccccc43)C2)CC1 ZINC000798957023 630264047 /nfs/dbraw/zinc/26/40/47/630264047.db2.gz IWGQAFKOJDRZOR-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000799176835 630283287 /nfs/dbraw/zinc/28/32/87/630283287.db2.gz GEUKNAHRQALYHA-LBPRGKRZSA-N 2 0 291.266 2.988 20 0 CFADRP C[C@H](CCO)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000800988919 630420810 /nfs/dbraw/zinc/42/08/10/630420810.db2.gz RAHCILJODKGHDX-WBVHZDCISA-N 2 0 290.451 2.648 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC=C(Cl)Cl)C2)C1 ZINC000852752993 634825667 /nfs/dbraw/zinc/82/56/67/634825667.db2.gz SUXBEWWGDAKZGG-TUAOUCFPSA-N 2 0 293.238 2.524 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC000852753881 634826168 /nfs/dbraw/zinc/82/61/68/634826168.db2.gz UUJQDFRGTOWQDZ-IJLUTSLNSA-N 2 0 293.238 2.666 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCCCC[NH3+] ZINC000843126173 630803987 /nfs/dbraw/zinc/80/39/87/630803987.db2.gz BNRJKXDVOVVKAG-UHFFFAOYSA-N 2 0 280.460 2.864 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC1(F)F ZINC000840879812 631249058 /nfs/dbraw/zinc/24/90/58/631249058.db2.gz SZMQCCPKTBPLLT-CMPLNLGQSA-N 2 0 260.372 2.883 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000809632844 631251871 /nfs/dbraw/zinc/25/18/71/631251871.db2.gz YHXVBADFHUPKLD-CHWSQXEVSA-N 2 0 299.484 2.797 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(OCC[NH3+])cc1 ZINC000841054803 631322306 /nfs/dbraw/zinc/32/23/06/631322306.db2.gz NBBNVVGVIHWUQG-HOCLYGCPSA-N 2 0 291.439 2.747 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[NH2+]1 ZINC000841061372 631327398 /nfs/dbraw/zinc/32/73/98/631327398.db2.gz HQXJGKZDAYGGML-SWLSCSKDSA-N 2 0 274.408 2.630 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841072296 631330596 /nfs/dbraw/zinc/33/05/96/631330596.db2.gz IAKOWUZLYVGWLJ-INIZCTEOSA-N 2 0 269.392 2.857 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cncc2ccccc21 ZINC000841079416 631332828 /nfs/dbraw/zinc/33/28/28/631332828.db2.gz MLBMTHSREGANPQ-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)ccc2O1 ZINC000841085109 631334041 /nfs/dbraw/zinc/33/40/41/631334041.db2.gz UMSJUXZRKUKJBC-SWLSCSKDSA-N 2 0 274.408 2.617 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000841095875 631338285 /nfs/dbraw/zinc/33/82/85/631338285.db2.gz PQXVTBKYIPZTJA-ZRGWGRIASA-N 2 0 298.430 2.851 20 0 CFADRP CSC1(C[NH2+]Cc2cccnc2Cl)CC[NH+](C)CC1 ZINC000810170639 631338351 /nfs/dbraw/zinc/33/83/51/631338351.db2.gz QTKYAEDGRIBEFT-UHFFFAOYSA-N 2 0 299.871 2.652 20 0 CFADRP CC(C)[C@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000840235630 631585885 /nfs/dbraw/zinc/58/58/85/631585885.db2.gz MZLRDDAPJXSMEU-JKSUJKDBSA-N 2 0 296.455 2.524 20 0 CFADRP Cc1cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(N)[nH+]1 ZINC000811845933 631632409 /nfs/dbraw/zinc/63/24/09/631632409.db2.gz FECYIOMJWUBDIS-XJKSGUPXSA-N 2 0 299.422 2.779 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000842471930 631639018 /nfs/dbraw/zinc/63/90/18/631639018.db2.gz HYLQONCQARRCNQ-KRWDZBQOSA-N 2 0 298.471 2.556 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000842476080 631640875 /nfs/dbraw/zinc/64/08/75/631640875.db2.gz GHFAOWCCYXHJMP-MRXNPFEDSA-N 2 0 268.445 2.644 20 0 CFADRP C[N@H+](Cc1ccc2cnccc2c1)C1CCC([NH3+])CC1 ZINC000843054897 631818290 /nfs/dbraw/zinc/81/82/90/631818290.db2.gz MPKCTRPYKADQFE-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP C[N@H+](Cc1cccc2c1OCCCO2)C1CCC([NH3+])CC1 ZINC000843055733 631818388 /nfs/dbraw/zinc/81/83/88/631818388.db2.gz MEOSYZAPYKISMY-UHFFFAOYSA-N 2 0 290.407 2.550 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843127442 631846376 /nfs/dbraw/zinc/84/63/76/631846376.db2.gz PGOXSVXKRXTRIM-FUHWJXTLSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000843128530 631847903 /nfs/dbraw/zinc/84/79/03/631847903.db2.gz LXTHMHHQDFBHCS-UHFFFAOYSA-N 2 0 290.436 2.814 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1(Cl)Cl ZINC000843341080 631931415 /nfs/dbraw/zinc/93/14/15/631931415.db2.gz YZCWBTQALHIVCF-XQHKEYJVSA-N 2 0 291.266 2.938 20 0 CFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843341515 631932246 /nfs/dbraw/zinc/93/22/46/631932246.db2.gz GPGJXGBDLHQQIK-OAHLLOKOSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccnc(Cl)c1 ZINC000843342771 631932406 /nfs/dbraw/zinc/93/24/06/631932406.db2.gz UJSDEVWBQFXFIH-NSHDSACASA-N 2 0 255.793 2.905 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843342849 631932520 /nfs/dbraw/zinc/93/25/20/631932520.db2.gz QMJWKYWSVVBYGO-HZSPNIEDSA-N 2 0 262.372 2.612 20 0 CFADRP CCCCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354204 631936001 /nfs/dbraw/zinc/93/60/01/631936001.db2.gz XSABGASHDQIFHQ-QQFBHYJXSA-N 2 0 297.487 2.663 20 0 CFADRP COc1ccc(OCCC[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843354048 631936079 /nfs/dbraw/zinc/93/60/79/631936079.db2.gz SZSRFAZSPAPYTP-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843358456 631937576 /nfs/dbraw/zinc/93/75/76/631937576.db2.gz QSYJRMNGYOUZBO-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP CC[C@@H]1C[N@H+](CCOC2CCCCCC2)CC[C@H]1[NH3+] ZINC000843377853 631941188 /nfs/dbraw/zinc/94/11/88/631941188.db2.gz VURQUDKECVYMGK-GDBMZVCRSA-N 2 0 268.445 2.785 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCCCCC[NH3+])CC1 ZINC000844221542 632137385 /nfs/dbraw/zinc/13/73/85/632137385.db2.gz FUIZPIKRVKQADB-UHFFFAOYSA-N 3 0 269.477 2.700 20 0 CFADRP Cc1ccc(N2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844222058 632137912 /nfs/dbraw/zinc/13/79/12/632137912.db2.gz RTJKCGKBWZBGQL-KRWDZBQOSA-N 2 0 287.451 2.507 20 0 CFADRP CCN(CC)C[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925485446 632203200 /nfs/dbraw/zinc/20/32/00/632203200.db2.gz CMSSRRVPGGFJMO-RDJZCZTQSA-N 2 0 277.456 2.787 20 0 CFADRP Cc1cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cnc1Cl ZINC000844901953 632330791 /nfs/dbraw/zinc/33/07/91/632330791.db2.gz KFZOPORFEHKTIH-FZMZJTMJSA-N 2 0 281.831 2.993 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1sc(C)nc1C ZINC000844904786 632332038 /nfs/dbraw/zinc/33/20/38/632332038.db2.gz QUDRUGZXQKYNJP-UHFFFAOYSA-N 2 0 275.421 2.769 20 0 CFADRP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[C@H](C5CC5)[NH2+]4)n3)cc12 ZINC000844915794 632334673 /nfs/dbraw/zinc/33/46/73/632334673.db2.gz AHQLLSDHGRMDQE-KGLIPLIRSA-N 2 0 295.346 2.587 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000845942679 632601728 /nfs/dbraw/zinc/60/17/28/632601728.db2.gz QSEKTBGRFYLQNH-SOUVJXGZSA-N 2 0 270.461 2.900 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000845996012 632609689 /nfs/dbraw/zinc/60/96/89/632609689.db2.gz IYIDTZZPHPUHMH-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000845996011 632609829 /nfs/dbraw/zinc/60/98/29/632609829.db2.gz IYIDTZZPHPUHMH-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000845996897 632609956 /nfs/dbraw/zinc/60/99/56/632609956.db2.gz SZKGEFULVFSDNN-QWHCGFSZSA-N 2 0 296.377 2.664 20 0 CFADRP CC(C)C[N@H+](C)CCCNCc1cccnc1Cl ZINC000845996003 632610143 /nfs/dbraw/zinc/61/01/43/632610143.db2.gz ISTYOJMEXOGZKG-UHFFFAOYSA-N 2 0 269.820 2.803 20 0 CFADRP Cc1ccc(C)c(NC(=O)C[N@H+](C)CCCCCC[NH3+])c1 ZINC000846218598 632663807 /nfs/dbraw/zinc/66/38/07/632663807.db2.gz ZZKYJFWNLPQEPH-UHFFFAOYSA-N 2 0 291.439 2.693 20 0 CFADRP C[C@H](O)C[N@H+](CCCCCC[NH3+])C1CCCCC1 ZINC000846218084 632663820 /nfs/dbraw/zinc/66/38/20/632663820.db2.gz LLFFLWXYOJLDSH-AWEZNQCLSA-N 2 0 256.434 2.521 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC000846218690 632664725 /nfs/dbraw/zinc/66/47/25/632664725.db2.gz WJALGEODPLFAHV-HNNXBMFYSA-N 2 0 256.434 2.787 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846219812 632665479 /nfs/dbraw/zinc/66/54/79/632665479.db2.gz YGKCMWMNPKPEPU-KRWDZBQOSA-N 2 0 276.424 2.887 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000846220588 632666064 /nfs/dbraw/zinc/66/60/64/632666064.db2.gz MAKZFIVOKZUEMO-UHFFFAOYSA-N 2 0 263.429 2.704 20 0 CFADRP CCCCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846222907 632667201 /nfs/dbraw/zinc/66/72/01/632667201.db2.gz MKWSLZORYXECHM-XHSDSOJGSA-N 2 0 268.445 2.785 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000846221774 632667496 /nfs/dbraw/zinc/66/74/96/632667496.db2.gz OCCSBHRLAYYADM-UHFFFAOYSA-N 2 0 275.440 2.718 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCCCC[NH3+])C2)CC1 ZINC000846222191 632667567 /nfs/dbraw/zinc/66/75/67/632667567.db2.gz SQJLYWCZXHYNEL-SFHVURJKSA-N 3 0 295.515 2.949 20 0 CFADRP CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846227095 632668045 /nfs/dbraw/zinc/66/80/45/632668045.db2.gz GNTUHYUYYNPIDD-ARFHVFGLSA-N 2 0 268.445 2.928 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCSC(F)(F)F ZINC000817890634 632718449 /nfs/dbraw/zinc/71/84/49/632718449.db2.gz VRDQEYMRLNHRDR-PWSUYJOCSA-N 2 0 292.370 2.788 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817891551 632718599 /nfs/dbraw/zinc/71/85/99/632718599.db2.gz CRZRQOWLDVNRTG-XMTFNYHQSA-N 2 0 288.435 2.539 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817890703 632718622 /nfs/dbraw/zinc/71/86/22/632718622.db2.gz XMUUWMXRTDHWAW-SOLBZPMBSA-N 2 0 290.451 2.929 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000817892679 632718706 /nfs/dbraw/zinc/71/87/06/632718706.db2.gz OQUSZEGSBVOCIK-KFKAGJAMSA-N 2 0 298.430 2.577 20 0 CFADRP CC(C)CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817892788 632719515 /nfs/dbraw/zinc/71/95/15/632719515.db2.gz PSNLAMUKBFNPFO-ARFHVFGLSA-N 2 0 270.461 2.935 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895324 632720544 /nfs/dbraw/zinc/72/05/44/632720544.db2.gz SWVDAUFRTSFLAU-RVBZMBCESA-N 2 0 291.222 2.742 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1-c1ccccc1 ZINC000817898338 632721956 /nfs/dbraw/zinc/72/19/56/632721956.db2.gz GLKPCGLVAYIIJO-KGLIPLIRSA-N 2 0 286.423 2.959 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900852 632723765 /nfs/dbraw/zinc/72/37/65/632723765.db2.gz PIYLAWSNCXIEES-KLAILNCOSA-N 3 0 281.488 2.891 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817900420 632724099 /nfs/dbraw/zinc/72/40/99/632724099.db2.gz SKPOJMPFBKFDGQ-BRWVUGGUSA-N 2 0 291.439 2.734 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1ccccc1 ZINC000817900556 632724621 /nfs/dbraw/zinc/72/46/21/632724621.db2.gz NIXATMIOUVHEQL-CRAIPNDOSA-N 2 0 283.419 2.647 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000817900301 632724681 /nfs/dbraw/zinc/72/46/81/632724681.db2.gz OCXSRSIFJFUMPQ-RBSFLKMASA-N 2 0 282.815 2.623 20 0 CFADRP C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904686 632727673 /nfs/dbraw/zinc/72/76/73/632727673.db2.gz GMHWHEIPZRORRE-VFNXUKNFSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000817905545 632728440 /nfs/dbraw/zinc/72/84/40/632728440.db2.gz OBFVQEROGVVVHX-SIXLDLHFSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000817907480 632728952 /nfs/dbraw/zinc/72/89/52/632728952.db2.gz PNQHQBLEWDWQIJ-DOTOQJQBSA-N 2 0 276.424 2.742 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000817912497 632730558 /nfs/dbraw/zinc/73/05/58/632730558.db2.gz APTITBUNUZCOFW-NEPJUHHUSA-N 2 0 273.380 2.724 20 0 CFADRP C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817912154 632730852 /nfs/dbraw/zinc/73/08/52/632730852.db2.gz DWVXATDVUHWBLH-GFJIZPEISA-N 2 0 282.453 2.667 20 0 CFADRP Cc1ncc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000817916305 632732163 /nfs/dbraw/zinc/73/21/63/632732163.db2.gz WGFJPCCPOXOVJI-SNVBAGLBSA-N 2 0 290.436 2.507 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000817914795 632732581 /nfs/dbraw/zinc/73/25/81/632732581.db2.gz ZWESRJLQBMGZRA-OAGGEKHMSA-N 2 0 288.416 2.690 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCC2 ZINC000817921607 632734415 /nfs/dbraw/zinc/73/44/15/632734415.db2.gz CYBCQXPXNDTEFE-ATZCPNFKSA-N 2 0 253.415 2.544 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817925203 632738201 /nfs/dbraw/zinc/73/82/01/632738201.db2.gz RZEKCWPGKXCFDS-ZBFHGGJFSA-N 2 0 276.424 2.521 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817927217 632738878 /nfs/dbraw/zinc/73/88/78/632738878.db2.gz ZXORKLGNQRJAMC-XKQJLSEDSA-N 2 0 294.414 2.760 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000817927810 632738947 /nfs/dbraw/zinc/73/89/47/632738947.db2.gz MSVMGTJGPQNOCO-XYJFISCASA-N 2 0 289.467 2.614 20 0 CFADRP Fc1cnc(Cl)c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817933588 632741046 /nfs/dbraw/zinc/74/10/46/632741046.db2.gz LETAQKKPEPBLGS-HZSPNIEDSA-N 2 0 297.805 2.884 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817936251 632741686 /nfs/dbraw/zinc/74/16/86/632741686.db2.gz JBURAHYMBGAZKL-WOPDTQHZSA-N 2 0 279.255 2.938 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C)c1ccc2c(c1)CCCO2 ZINC000817939609 632744442 /nfs/dbraw/zinc/74/44/42/632744442.db2.gz FWDFUFHPQRBTBP-HNNXBMFYSA-N 2 0 262.397 2.662 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1C ZINC000817945667 632748522 /nfs/dbraw/zinc/74/85/22/632748522.db2.gz JBBGVMFQYJTYDM-GJZGRUSLSA-N 2 0 276.424 2.962 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CC2 ZINC000817948313 632749127 /nfs/dbraw/zinc/74/91/27/632749127.db2.gz XFLORULLRLJBIM-LJQANCHMSA-N 2 0 296.414 2.974 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000817947819 632749614 /nfs/dbraw/zinc/74/96/14/632749614.db2.gz RXUPDIWCMPERTQ-PMPSAXMXSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000817949980 632750708 /nfs/dbraw/zinc/75/07/08/632750708.db2.gz VQPISJAPAOPKCL-CQSZACIVSA-N 2 0 296.414 2.974 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000817948956 632750774 /nfs/dbraw/zinc/75/07/74/632750774.db2.gz MVOGVIZHWLXLQV-IAGOWNOFSA-N 2 0 258.409 2.856 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817961005 632761057 /nfs/dbraw/zinc/76/10/57/632761057.db2.gz WDVATBINQJVTMS-AWEZNQCLSA-N 2 0 262.397 2.790 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)n(C)n1 ZINC000817962179 632761573 /nfs/dbraw/zinc/76/15/73/632761573.db2.gz GWTFFEZVRJCKSP-QWHCGFSZSA-N 2 0 272.396 2.599 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)n(C)n1 ZINC000817962177 632761803 /nfs/dbraw/zinc/76/18/03/632761803.db2.gz GWTFFEZVRJCKSP-CHWSQXEVSA-N 2 0 272.396 2.599 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817963944 632763132 /nfs/dbraw/zinc/76/31/32/632763132.db2.gz YZZZEWHQERWELC-IUODEOHRSA-N 2 0 262.397 2.647 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968773 632767425 /nfs/dbraw/zinc/76/74/25/632767425.db2.gz MGROIUMKGTUMBX-BBRMVZONSA-N 2 0 292.423 2.634 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000817970238 632768295 /nfs/dbraw/zinc/76/82/95/632768295.db2.gz PEEAMIZFDWKBER-MAZHCROVSA-N 2 0 292.423 2.762 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969885 632768538 /nfs/dbraw/zinc/76/85/38/632768538.db2.gz HKCSUYPVUXKGKJ-TUKIKUTGSA-N 2 0 260.381 2.542 20 0 CFADRP COCC1(C[NH2+][C@H]2CCc3cc(C)ccc32)CC[NH2+]CC1 ZINC000817971829 632770993 /nfs/dbraw/zinc/77/09/93/632770993.db2.gz HMBDNBAHNKQGEW-KRWDZBQOSA-N 2 0 288.435 2.588 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)NC[C@@H](C)[NH3+])ccc1OC ZINC000817971374 632771418 /nfs/dbraw/zinc/77/14/18/632771418.db2.gz DEQMSLKKEUKZKD-KGLIPLIRSA-N 2 0 293.455 2.535 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000817982986 632779646 /nfs/dbraw/zinc/77/96/46/632779646.db2.gz XHPZPXDAOGWARG-XEZPLFJOSA-N 2 0 292.423 2.620 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817986930 632781814 /nfs/dbraw/zinc/78/18/14/632781814.db2.gz WAULEOLDNLMXGW-HNNXBMFYSA-N 2 0 296.418 2.833 20 0 CFADRP CC1=C(Br)CN(CCCc2cncn2C)CC1 ZINC000846892866 632835867 /nfs/dbraw/zinc/83/58/67/632835867.db2.gz XIDDLRIPEOBIJC-UHFFFAOYSA-N 2 0 298.228 2.727 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000818953927 632914467 /nfs/dbraw/zinc/91/44/67/632914467.db2.gz ROENYNMSVUHSAI-LJQANCHMSA-N 2 0 298.430 2.880 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000818959070 632915595 /nfs/dbraw/zinc/91/55/95/632915595.db2.gz BYLVQTWYZQHWFL-FUHWJXTLSA-N 2 0 290.451 2.964 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000818971131 632918625 /nfs/dbraw/zinc/91/86/25/632918625.db2.gz YGXBOCCCJUKPDJ-SJLPKXTDSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000818984470 632922023 /nfs/dbraw/zinc/92/20/23/632922023.db2.gz IEEJYNJBPWDDBK-YOEHRIQHSA-N 2 0 294.414 2.569 20 0 CFADRP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000819101539 632964825 /nfs/dbraw/zinc/96/48/25/632964825.db2.gz ANEFDVFBWFEFEE-CZUORRHYSA-N 2 0 296.430 2.733 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000819102684 632965430 /nfs/dbraw/zinc/96/54/30/632965430.db2.gz NZVVCADKADIUOW-SWLSCSKDSA-N 2 0 298.858 2.939 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000819115188 632970113 /nfs/dbraw/zinc/97/01/13/632970113.db2.gz FHLOOHSOIZEZII-HQSKLWIPSA-N 2 0 288.435 2.633 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccccc1)C(C)C ZINC000819125575 632975811 /nfs/dbraw/zinc/97/58/11/632975811.db2.gz KRRBXGDQJIPZSR-QGZVFWFLSA-N 2 0 278.440 2.819 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)c1ccc(F)cc1)C(C)C ZINC000819125099 632975846 /nfs/dbraw/zinc/97/58/46/632975846.db2.gz FGUBHBNXGAHKDO-QGZVFWFLSA-N 2 0 296.430 2.958 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000819220749 633024483 /nfs/dbraw/zinc/02/44/83/633024483.db2.gz REFADXZSXWETRE-YJBOKZPZSA-N 2 0 288.435 2.577 20 0 CFADRP C[C@@H](CC[NH2+]C[C@@H](O)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000819228256 633028695 /nfs/dbraw/zinc/02/86/95/633028695.db2.gz HELYDKPNRJDVMF-WMLDXEAASA-N 2 0 294.414 2.713 20 0 CFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccccc1 ZINC000819333640 633087745 /nfs/dbraw/zinc/08/77/45/633087745.db2.gz NSNSZJNIYAMMBR-QGZVFWFLSA-N 2 0 276.424 2.576 20 0 CFADRP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000848533354 633280334 /nfs/dbraw/zinc/28/03/34/633280334.db2.gz KERUMJUMCWSSTL-MRXNPFEDSA-N 2 0 289.467 2.536 20 0 CFADRP Fc1cccc(F)c1CCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000848599751 633297794 /nfs/dbraw/zinc/29/77/94/633297794.db2.gz PWSBOOQFOPABSX-UHFFFAOYSA-N 2 0 294.389 2.973 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000107786771 633317709 /nfs/dbraw/zinc/31/77/09/633317709.db2.gz HTXVDQVDLXTJQN-CYBMUJFWSA-N 2 0 250.386 2.865 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000107786769 633318016 /nfs/dbraw/zinc/31/80/16/633318016.db2.gz HTXVDQVDLXTJQN-ZDUSSCGKSA-N 2 0 250.386 2.865 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000848715257 633322841 /nfs/dbraw/zinc/32/28/41/633322841.db2.gz RWDORDWRMWERIZ-KURKYZTESA-N 2 0 284.403 2.733 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000848719115 633323524 /nfs/dbraw/zinc/32/35/24/633323524.db2.gz YJYJGIQAEHLURD-SOEBMCCKSA-N 3 0 279.472 2.643 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848722439 633325133 /nfs/dbraw/zinc/32/51/33/633325133.db2.gz NBNLWNVOAIMFMT-NCOADZHNSA-N 2 0 276.424 2.604 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253238 635957053 /nfs/dbraw/zinc/95/70/53/635957053.db2.gz LKAQKEOIHGAOLY-VHSXEESVSA-N 2 0 253.217 2.677 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253236 635957099 /nfs/dbraw/zinc/95/70/99/635957099.db2.gz LKAQKEOIHGAOLY-NXEZZACHSA-N 2 0 253.217 2.677 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857252797 635957150 /nfs/dbraw/zinc/95/71/50/635957150.db2.gz DJCYXNOBDHUOCE-AXFHLTTASA-N 2 0 265.228 2.677 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000857252658 635957178 /nfs/dbraw/zinc/95/71/78/635957178.db2.gz HVCQWWWTOOLVAP-DCAQKATOSA-N 2 0 265.228 2.691 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982120 633415066 /nfs/dbraw/zinc/41/50/66/633415066.db2.gz AHCPTVOYWVUMIS-ZDUSSCGKSA-N 2 0 268.449 2.553 20 0 CFADRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCC2)cc1 ZINC000848986647 633418269 /nfs/dbraw/zinc/41/82/69/633418269.db2.gz OUFDNHZJVMMDGK-CYBMUJFWSA-N 2 0 274.412 2.670 20 0 CFADRP [NH2+]=C(NCC[NH+]1CCCCCC1)Nc1cc(F)ccc1F ZINC000848987700 633418486 /nfs/dbraw/zinc/41/84/86/633418486.db2.gz SDYRENORQYPBBF-UHFFFAOYSA-N 2 0 296.365 2.777 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)c1 ZINC000848987703 633418582 /nfs/dbraw/zinc/41/85/82/633418582.db2.gz SHYKFXOOJMRJAL-UHFFFAOYSA-N 2 0 262.401 2.662 20 0 CFADRP CCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000848995959 633451149 /nfs/dbraw/zinc/45/11/49/633451149.db2.gz RKTSYGFOBBVHJC-MRXNPFEDSA-N 2 0 288.439 2.593 20 0 CFADRP CC[NH+]1CCC(CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000848996340 633452130 /nfs/dbraw/zinc/45/21/30/633452130.db2.gz VHQOHICBOCVWOE-UHFFFAOYSA-N 2 0 296.365 2.633 20 0 CFADRP C[C@@H](CCNC(=[NH2+])NC1CCC1)[N@H+](C)Cc1ccccc1 ZINC000849003141 633455296 /nfs/dbraw/zinc/45/52/96/633455296.db2.gz LLEVVBSCHGXACC-AWEZNQCLSA-N 2 0 288.439 2.563 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000850383008 633968580 /nfs/dbraw/zinc/96/85/80/633968580.db2.gz GDXTVHSBTFKSDV-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000850419121 633984441 /nfs/dbraw/zinc/98/44/41/633984441.db2.gz BPSDVGXMOWCSLF-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000850438506 633992423 /nfs/dbraw/zinc/99/24/23/633992423.db2.gz AKSVWNDZJJFEDF-YPMHNXCESA-N 2 0 260.372 2.537 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000850582776 634060264 /nfs/dbraw/zinc/06/02/64/634060264.db2.gz LGDZFTDWKNXAOZ-IAGOWNOFSA-N 2 0 292.467 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000854221207 635261036 /nfs/dbraw/zinc/26/10/36/635261036.db2.gz IQAVHIZPLVXSBY-VKJFTORMSA-N 2 0 284.403 2.733 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925488435 635369787 /nfs/dbraw/zinc/36/97/87/635369787.db2.gz CTBQPMWZPXYPNN-PQEBFOHHSA-N 2 0 270.420 2.693 20 0 CFADRP c1ccc2c(c1)C[C@H]2C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925488944 635534481 /nfs/dbraw/zinc/53/44/81/635534481.db2.gz HFHTXIBFOUAWIC-HOCLYGCPSA-N 2 0 256.393 2.591 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857914641 636065770 /nfs/dbraw/zinc/06/57/70/636065770.db2.gz MTJGMENBJJOVJG-KGYLQXTDSA-N 2 0 279.815 2.652 20 0 CFADRP CCOC(CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OCC ZINC000858087208 636121358 /nfs/dbraw/zinc/12/13/58/636121358.db2.gz AWSJQLMMMXURGT-AWEZNQCLSA-N 2 0 286.460 2.628 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000858377556 636212887 /nfs/dbraw/zinc/21/28/87/636212887.db2.gz XQZPXLZXOBZJTO-MRXNPFEDSA-N 2 0 277.412 2.640 20 0 CFADRP C[C@H](Nc1cc[nH+]c(CO)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000858520502 636281350 /nfs/dbraw/zinc/28/13/50/636281350.db2.gz BHSCEFALKBGVOX-SUMWQHHRSA-N 2 0 285.391 2.677 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(F)c2)C[C@@H]1C ZINC000859155691 636476386 /nfs/dbraw/zinc/47/63/86/636476386.db2.gz OJEBYFZDVWSSKF-JSGCOSHPSA-N 2 0 265.376 2.525 20 0 CFADRP CC(C)CC[C@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212106 636505384 /nfs/dbraw/zinc/50/53/84/636505384.db2.gz FMHOIZDPMZYHRV-SFHVURJKSA-N 2 0 292.467 2.977 20 0 CFADRP CC[C@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000859212074 636505917 /nfs/dbraw/zinc/50/59/17/636505917.db2.gz DKXDLSKJAAPSRI-MRXNPFEDSA-N 2 0 264.413 2.605 20 0 CFADRP CCCCOCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214664 636508777 /nfs/dbraw/zinc/50/87/77/636508777.db2.gz QYGAOLMCYOATTB-UHFFFAOYSA-N 2 0 278.440 2.997 20 0 CFADRP CCCCOC(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860884 650350965 /nfs/dbraw/zinc/35/09/65/650350965.db2.gz KXRWCQYJGYBPHQ-OAHLLOKOSA-N 2 0 284.444 2.526 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863483707 637675976 /nfs/dbraw/zinc/67/59/76/637675976.db2.gz YJSVWHZELXCDKF-ZWKOTPCHSA-N 2 0 299.462 2.525 20 0 CFADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]32)cc1 ZINC000863534220 637686897 /nfs/dbraw/zinc/68/68/97/637686897.db2.gz JUMLWBYEEYNLIC-OKZBNKHCSA-N 2 0 270.420 2.722 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000863543700 637691566 /nfs/dbraw/zinc/69/15/66/637691566.db2.gz WCWFVFFVVDPFNW-NOOOWODRSA-N 2 0 264.335 2.838 20 0 CFADRP c1nn2c(c1-c1ccc(C[NH+]3CCCCC3)cc1)C[NH2+]CC2 ZINC000863680466 637744412 /nfs/dbraw/zinc/74/44/12/637744412.db2.gz ZRTBBORSVIGYSA-UHFFFAOYSA-N 2 0 296.418 2.639 20 0 CFADRP C[NH+]1C[C@]2(C)CN(c3cc[nH+]cc3C(F)(F)F)C[C@@]2(C)C1 ZINC000864090402 637870758 /nfs/dbraw/zinc/87/07/58/637870758.db2.gz CXENCEWDFHHUGS-ZIAGYGMSSA-N 2 0 299.340 2.878 20 0 CFADRP C[NH+]1C[C@@]2(C)CN(c3cc[nH+]cc3C(F)(F)F)C[C@]2(C)C1 ZINC000864090397 637870904 /nfs/dbraw/zinc/87/09/04/637870904.db2.gz CXENCEWDFHHUGS-KBPBESRZSA-N 2 0 299.340 2.878 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000120520506 638278832 /nfs/dbraw/zinc/27/88/32/638278832.db2.gz WJUKZYUIXFUBJA-BLLLJJGKSA-N 2 0 296.842 2.693 20 0 CFADRP Cc1c(Cl)cccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000865415089 638321113 /nfs/dbraw/zinc/32/11/13/638321113.db2.gz HHMHWNCOJDITON-UHFFFAOYSA-N 2 0 296.842 2.850 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865416124 638321600 /nfs/dbraw/zinc/32/16/00/638321600.db2.gz UOSLRGVUUBYWCM-OAHLLOKOSA-N 2 0 290.455 2.962 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865417506 638323521 /nfs/dbraw/zinc/32/35/21/638323521.db2.gz NGTARWVMBQYERG-ZDUSSCGKSA-N 2 0 287.382 2.805 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000865561620 638424055 /nfs/dbraw/zinc/42/40/55/638424055.db2.gz OAXAJXADKBOVPY-NSHDSACASA-N 2 0 283.297 2.551 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000120694956 638525687 /nfs/dbraw/zinc/52/56/87/638525687.db2.gz FXFZVBLPCTZVKZ-VKJFTORMSA-N 2 0 290.451 2.819 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)CO1 ZINC000865716848 638531619 /nfs/dbraw/zinc/53/16/19/638531619.db2.gz FYJIAFKJSDCKOD-HZPDHXFCSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(F)nc2)CC1 ZINC000865716698 638531874 /nfs/dbraw/zinc/53/18/74/638531874.db2.gz DGJFFWRCISCKAF-UHFFFAOYSA-N 2 0 279.403 2.821 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000865717181 638532784 /nfs/dbraw/zinc/53/27/84/638532784.db2.gz RLWCVOQSCINTND-IJEWVQPXSA-N 2 0 268.445 2.652 20 0 CFADRP c1cc(C[NH2+]CC[C@H]2CCCS2)n(-c2cc[nH+]cc2)n1 ZINC000865726262 638538807 /nfs/dbraw/zinc/53/88/07/638538807.db2.gz VASYYUAZNTVWDV-OAHLLOKOSA-N 2 0 288.420 2.643 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000865765901 638562630 /nfs/dbraw/zinc/56/26/30/638562630.db2.gz RILHVJYPIHFQCJ-UHFFFAOYSA-N 2 0 292.471 2.991 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000865765779 638562683 /nfs/dbraw/zinc/56/26/83/638562683.db2.gz LYTHOGROUGOOKC-UHFFFAOYSA-N 2 0 286.423 2.915 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865788511 638575743 /nfs/dbraw/zinc/57/57/43/638575743.db2.gz TXMHOEYBVXNCFD-VXGBXAGGSA-N 2 0 296.402 2.888 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4ccccc43)CC[C@@H]21 ZINC000866204208 638769611 /nfs/dbraw/zinc/76/96/11/638769611.db2.gz BDKJGMPUHDHEKC-BBRMVZONSA-N 2 0 267.376 2.765 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1cccnc1)C[NH+]1CCCC1 ZINC000866237620 638776849 /nfs/dbraw/zinc/77/68/49/638776849.db2.gz IKLIQBONNQGCOK-HOTGVXAUSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866238340 638777357 /nfs/dbraw/zinc/77/73/57/638777357.db2.gz PGFPQTJNSALJCC-DJIMGWMZSA-N 2 0 273.424 2.619 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866241028 638778030 /nfs/dbraw/zinc/77/80/30/638778030.db2.gz UBXUQNUVQBUPRU-DOTOQJQBSA-N 2 0 275.440 2.724 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866259931 638782405 /nfs/dbraw/zinc/78/24/05/638782405.db2.gz QZVIQVWURWIXET-OAHLLOKOSA-N 2 0 275.440 2.724 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866259929 638782544 /nfs/dbraw/zinc/78/25/44/638782544.db2.gz QZVIQVWURWIXET-HNNXBMFYSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccn1 ZINC000866261795 638783189 /nfs/dbraw/zinc/78/31/89/638783189.db2.gz WRHXQRTURGTOTE-INIZCTEOSA-N 2 0 261.413 2.710 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000866336222 638798198 /nfs/dbraw/zinc/79/81/98/638798198.db2.gz IVOFHOGEJYJKMN-HNNXBMFYSA-N 2 0 275.440 2.724 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866337386 638798629 /nfs/dbraw/zinc/79/86/29/638798629.db2.gz QONXPRZJTYUULE-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C1CC[NH+](C2CC2)CC1 ZINC000866349567 638801672 /nfs/dbraw/zinc/80/16/72/638801672.db2.gz JUOBEMJTMZICSE-ZWKOTPCHSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000866372427 638807837 /nfs/dbraw/zinc/80/78/37/638807837.db2.gz GEJZDKXZHFAYRP-WBVHZDCISA-N 2 0 275.440 2.724 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)ccc12 ZINC000866371984 638807962 /nfs/dbraw/zinc/80/79/62/638807962.db2.gz NIZAJSLEOAOIIP-IAGOWNOFSA-N 2 0 285.391 2.772 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866378131 638809410 /nfs/dbraw/zinc/80/94/10/638809410.db2.gz MPMCAAKURPDPMY-GQGLESIBSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866378132 638809513 /nfs/dbraw/zinc/80/95/13/638809513.db2.gz MPMCAAKURPDPMY-SJJHQCBESA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2nccn2C)CC1 ZINC000866467903 638826263 /nfs/dbraw/zinc/82/62/63/638826263.db2.gz UCMAWSBHJVPIPB-AWEZNQCLSA-N 2 0 278.444 2.581 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467586 638826297 /nfs/dbraw/zinc/82/62/97/638826297.db2.gz LJZYSBMXLLGWAK-OAHLLOKOSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H](CCO)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866469448 638826557 /nfs/dbraw/zinc/82/65/57/638826557.db2.gz IFZRRWZMLLTVGI-MRXNPFEDSA-N 2 0 290.451 2.649 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000866469345 638826632 /nfs/dbraw/zinc/82/66/32/638826632.db2.gz LRMXRDALPDZRCB-INIZCTEOSA-N 2 0 290.455 2.887 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000866525251 638835128 /nfs/dbraw/zinc/83/51/28/638835128.db2.gz QTRKVOZXISURPV-OTVXOJSOSA-N 2 0 296.455 2.569 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866561164 638844747 /nfs/dbraw/zinc/84/47/47/638844747.db2.gz AYZKAAHRZJMCBP-IBGZPJMESA-N 2 0 299.462 2.637 20 0 CFADRP C[C@H](c1cccc(F)c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584813 638849381 /nfs/dbraw/zinc/84/93/81/638849381.db2.gz RAWRAYIKOPIWDB-IVMMDQJWSA-N 2 0 262.372 2.913 20 0 CFADRP Cc1ccc(CN2CCCC[C@H]2CC[NH3+])nc1Cl ZINC000866664765 638862599 /nfs/dbraw/zinc/86/25/99/638862599.db2.gz MFVMHCJTFDDNFI-ZDUSSCGKSA-N 2 0 267.804 2.747 20 0 CFADRP CC1(C)CC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)OC1 ZINC000866668670 638863706 /nfs/dbraw/zinc/86/37/06/638863706.db2.gz HSZCWCKUUKIHKV-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000866697750 638866887 /nfs/dbraw/zinc/86/68/87/638866887.db2.gz XVJJIZJVOSFDQB-RDJZCZTQSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707828 638868755 /nfs/dbraw/zinc/86/87/55/638868755.db2.gz XBMZNYITIKLSJE-BBRMVZONSA-N 2 0 261.413 2.840 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707829 638869113 /nfs/dbraw/zinc/86/91/13/638869113.db2.gz XBMZNYITIKLSJE-CJNGLKHVSA-N 2 0 261.413 2.840 20 0 CFADRP Cc1cncc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000866719941 638869983 /nfs/dbraw/zinc/86/99/83/638869983.db2.gz FBOFBSJQTXVQEM-GDBMZVCRSA-N 2 0 259.397 2.527 20 0 CFADRP CC(C)C[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000122519937 639136390 /nfs/dbraw/zinc/13/63/90/639136390.db2.gz MVUXHPFQFUPGJV-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)C[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000122519632 639136521 /nfs/dbraw/zinc/13/65/21/639136521.db2.gz MVUXHPFQFUPGJV-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)OC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000193044492 650619477 /nfs/dbraw/zinc/61/94/77/650619477.db2.gz KLGHTRGRGUIGEY-MSJJKYGJSA-N 2 0 280.456 2.937 20 0 CFADRP CC[C@@H](CC1CCCCC1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000872017749 641548719 /nfs/dbraw/zinc/54/87/19/641548719.db2.gz FQVROKHAITYKPA-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000872065446 641597466 /nfs/dbraw/zinc/59/74/66/641597466.db2.gz BHPMJWDKWPRGGQ-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000872065447 641597776 /nfs/dbraw/zinc/59/77/76/641597776.db2.gz BHPMJWDKWPRGGQ-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872079058 641611340 /nfs/dbraw/zinc/61/13/40/641611340.db2.gz LCBRRGKCXPVGIL-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(O)ccc1F ZINC000872083715 641617926 /nfs/dbraw/zinc/61/79/26/641617926.db2.gz NWENXSQMRMZIBV-SDDRHHMPSA-N 2 0 266.360 2.522 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000872109047 641639793 /nfs/dbraw/zinc/63/97/93/641639793.db2.gz GMBSJWCUUPOBTQ-VNQPRFMTSA-N 2 0 280.456 2.797 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H](O)c2ccccc2)CC1 ZINC000872134467 641662802 /nfs/dbraw/zinc/66/28/02/641662802.db2.gz BZHCZWVXKDGHFI-ZWKOTPCHSA-N 2 0 290.451 2.963 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000872141652 641668967 /nfs/dbraw/zinc/66/89/67/641668967.db2.gz MSUUZDRZLJLICO-GFCCVEGCSA-N 2 0 291.439 2.749 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)[C@@H]1CCC[NH3+] ZINC000872145805 641672547 /nfs/dbraw/zinc/67/25/47/641672547.db2.gz ZEOSAPXISJGXPA-OWCLPIDISA-N 2 0 280.456 2.785 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872151329 641673675 /nfs/dbraw/zinc/67/36/75/641673675.db2.gz VFGUFARJCAJSBG-UONOGXRCSA-N 2 0 286.341 2.607 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000872146517 641673687 /nfs/dbraw/zinc/67/36/87/641673687.db2.gz PNRODUOQFZUVRV-QGZVFWFLSA-N 2 0 293.430 2.504 20 0 CFADRP c1ccc2c(c1)CC[C@@]21CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000872146292 641673956 /nfs/dbraw/zinc/67/39/56/641673956.db2.gz KBZFPRHYSFRTMA-YJBOKZPZSA-N 2 0 270.420 2.576 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCc1ccc(Cl)cc1)C2 ZINC000872153217 641674496 /nfs/dbraw/zinc/67/44/96/641674496.db2.gz CGSABWSNCNVSAH-GOEBONIOSA-N 2 0 278.827 2.814 20 0 CFADRP Cc1ccc(C[N@H+](C)CCCCCC[NH3+])nc1Cl ZINC000872156254 641677205 /nfs/dbraw/zinc/67/72/05/641677205.db2.gz GZEKEYCAGLHCDD-UHFFFAOYSA-N 2 0 269.820 2.994 20 0 CFADRP Cn1cc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158436 641679785 /nfs/dbraw/zinc/67/97/85/641679785.db2.gz VEASIPOZMLOUPD-RHSMWYFYSA-N 2 0 290.455 2.540 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872227479 641709580 /nfs/dbraw/zinc/70/95/80/641709580.db2.gz FUACUKXSFMKJDZ-HWOWSKLDSA-N 2 0 270.461 2.636 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc(F)cc2F)C1 ZINC000872252805 641719379 /nfs/dbraw/zinc/71/93/79/641719379.db2.gz VRWRHAGCSARFMT-CQSZACIVSA-N 2 0 282.378 2.875 20 0 CFADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1C1CC1)c1ccco1 ZINC000872391432 641787793 /nfs/dbraw/zinc/78/77/93/641787793.db2.gz YRHHPFJZQJNBSI-HNNXBMFYSA-N 2 0 271.364 2.689 20 0 CFADRP C[N@@H+]1CCN(c2cc[nH+]cc2C2CC2)CCC1(C)C ZINC000872623122 641879165 /nfs/dbraw/zinc/87/91/65/641879165.db2.gz NPPPEEWLUZJWJN-UHFFFAOYSA-N 2 0 259.397 2.880 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873177528 642050036 /nfs/dbraw/zinc/05/00/36/642050036.db2.gz RMBICIAVCKBMHJ-QAQDUYKDSA-N 2 0 290.451 2.505 20 0 CFADRP C[C@@H](c1ccccn1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206678 642067763 /nfs/dbraw/zinc/06/77/63/642067763.db2.gz IVRJVZGZZBSTMD-LBPRGKRZSA-N 2 0 287.432 2.982 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212899 642070305 /nfs/dbraw/zinc/07/03/05/642070305.db2.gz CBBHNWVXBUGHTO-ZDUSSCGKSA-N 2 0 296.480 2.935 20 0 CFADRP c1c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)sc2c1C[NH2+]CC2 ZINC000873213598 642070382 /nfs/dbraw/zinc/07/03/82/642070382.db2.gz IRTWOQDNMSSKIB-SWHYSGLUSA-N 2 0 262.422 2.672 20 0 CFADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212040 642070737 /nfs/dbraw/zinc/07/07/37/642070737.db2.gz FDWQJRNCPFHDTA-MRXNPFEDSA-N 2 0 299.443 2.753 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C1CC[NH2+]CC1 ZINC000873219850 642072661 /nfs/dbraw/zinc/07/26/61/642072661.db2.gz AJJJGJMWWXWAFR-CYBMUJFWSA-N 2 0 288.435 2.878 20 0 CFADRP C[C@H]([NH2+]CCCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000873219953 642072721 /nfs/dbraw/zinc/07/27/21/642072721.db2.gz HVIBZXCMNHLYOJ-HNNXBMFYSA-N 2 0 276.424 2.823 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873218882 642072809 /nfs/dbraw/zinc/07/28/09/642072809.db2.gz ANSAAOBHRMMHIT-LLVKDONJSA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873221198 642074080 /nfs/dbraw/zinc/07/40/80/642074080.db2.gz GHRRWHCVCNNJTG-CQSZACIVSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873222072 642074980 /nfs/dbraw/zinc/07/49/80/642074980.db2.gz YKLAMVAUMIWVNC-CQSZACIVSA-N 2 0 276.424 2.952 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c(Cl)c1 ZINC000873221933 642074985 /nfs/dbraw/zinc/07/49/85/642074985.db2.gz UJMASULJUZOMGE-LLVKDONJSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)C1CC[NH2+]CC1 ZINC000873222297 642075526 /nfs/dbraw/zinc/07/55/26/642075526.db2.gz LKKGVHOFIGBQHC-VIFPVBQESA-N 2 0 272.314 2.582 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000873222817 642076260 /nfs/dbraw/zinc/07/62/60/642076260.db2.gz CNKZIXZHRNZPSM-UXLLHSPISA-N 2 0 282.472 2.889 20 0 CFADRP CC(C)C[C@@H](N)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000873222942 642076463 /nfs/dbraw/zinc/07/64/63/642076463.db2.gz HQMDINZJTKKROQ-QGZVFWFLSA-N 2 0 283.504 2.660 20 0 CFADRP COCCC1([NH2+]Cc2ccc(C)c(C)c2)CC[NH2+]CC1 ZINC000873223287 642076582 /nfs/dbraw/zinc/07/65/82/642076582.db2.gz MOGPGDFFDQGPEB-UHFFFAOYSA-N 2 0 276.424 2.552 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000873223418 642076720 /nfs/dbraw/zinc/07/67/20/642076720.db2.gz MGZWXNJCZCTHGE-KRWDZBQOSA-N 2 0 286.423 2.760 20 0 CFADRP COC1(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCCC1 ZINC000873223859 642078137 /nfs/dbraw/zinc/07/81/37/642078137.db2.gz TWSZLTQBHVQINR-HNNXBMFYSA-N 2 0 268.445 2.643 20 0 CFADRP COCCC1([NH2+]Cc2cc(C)sc2C)CC[NH2+]CC1 ZINC000873225244 642078401 /nfs/dbraw/zinc/07/84/01/642078401.db2.gz WEWOCKSUYYXOSJ-UHFFFAOYSA-N 2 0 282.453 2.613 20 0 CFADRP COCCC1([NH2+]C[C@H](C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000873224463 642078437 /nfs/dbraw/zinc/07/84/37/642078437.db2.gz CCSQKXNFIFMORI-AWEZNQCLSA-N 2 0 294.414 2.678 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)CC[NH2+]C1 ZINC000873226856 642080100 /nfs/dbraw/zinc/08/01/00/642080100.db2.gz CKORQATXBQJPQG-QZTJIDSGSA-N 2 0 270.420 2.576 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C(F)(F)F ZINC000873227668 642080203 /nfs/dbraw/zinc/08/02/03/642080203.db2.gz KRQNLCRGUILWAC-AJNGGQMLSA-N 2 0 298.352 2.859 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)CC[NH2+]C1 ZINC000873226855 642080582 /nfs/dbraw/zinc/08/05/82/642080582.db2.gz CKORQATXBQJPQG-MSOLQXFVSA-N 2 0 270.420 2.576 20 0 CFADRP c1nc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232898 642086755 /nfs/dbraw/zinc/08/67/55/642086755.db2.gz QJROMZKLXNCOGO-ZDUSSCGKSA-N 2 0 265.426 2.545 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873232397 642086910 /nfs/dbraw/zinc/08/69/10/642086910.db2.gz YLXUUEGPEYSYHB-MWDXBVQZSA-N 2 0 256.393 2.664 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873233056 642087169 /nfs/dbraw/zinc/08/71/69/642087169.db2.gz YAZHJUWEQGJNCT-MRXNPFEDSA-N 2 0 273.424 2.792 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC2=CCCOC2)C1)C1CCCC1 ZINC000873232294 642087421 /nfs/dbraw/zinc/08/74/21/642087421.db2.gz OKMAVPBTDIIMAJ-YJBOKZPZSA-N 2 0 292.467 2.953 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)nc1 ZINC000873239878 642089510 /nfs/dbraw/zinc/08/95/10/642089510.db2.gz FMJOIECUIBODBS-GVXVVHGQSA-N 2 0 267.804 2.903 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239353 642089740 /nfs/dbraw/zinc/08/97/40/642089740.db2.gz UHGLYDHCIKXIQZ-TUKIKUTGSA-N 2 0 265.376 2.780 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000873241312 642090507 /nfs/dbraw/zinc/09/05/07/642090507.db2.gz VRYBPEVEEAZNOQ-XEZPLFJOSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249255 642094104 /nfs/dbraw/zinc/09/41/04/642094104.db2.gz JOGRIKUPDACHNF-VHRBIJSZSA-N 2 0 297.240 2.707 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC12CCOCC2 ZINC000873248362 642094649 /nfs/dbraw/zinc/09/46/49/642094649.db2.gz DPAHBTITXPCUKI-QZWWFDLISA-N 2 0 292.467 2.704 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c[nH]c2cc1F ZINC000873247565 642094653 /nfs/dbraw/zinc/09/46/53/642094653.db2.gz PLVGDEHHJOYLLW-MLGOLLRUSA-N 2 0 289.398 2.875 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)c2ccccc21 ZINC000873249483 642095806 /nfs/dbraw/zinc/09/58/06/642095806.db2.gz BBTSCNIEAGVARY-IAOVAPTHSA-N 2 0 286.419 2.928 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000873250477 642096897 /nfs/dbraw/zinc/09/68/97/642096897.db2.gz GAEWUAPAVWYHRC-ZANVPECISA-N 2 0 288.313 2.644 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249681 642097186 /nfs/dbraw/zinc/09/71/86/642097186.db2.gz MOSMOKOAFFCMEE-IXDOHACOSA-N 2 0 276.424 2.555 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000873253202 642098894 /nfs/dbraw/zinc/09/88/94/642098894.db2.gz UZIUXOOORVFSPG-IJLUTSLNSA-N 2 0 296.402 2.650 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1SC ZINC000873254004 642099807 /nfs/dbraw/zinc/09/98/07/642099807.db2.gz IXXUGBSBRBEZAN-GMXVVIOVSA-N 2 0 280.437 2.805 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000873254762 642100666 /nfs/dbraw/zinc/10/06/66/642100666.db2.gz BWSOIUGLFBHJCA-GDZNZVCISA-N 2 0 258.409 2.953 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255128 642100888 /nfs/dbraw/zinc/10/08/88/642100888.db2.gz DJMFSTVLYHCKDD-XFMPKHEZSA-N 2 0 262.397 2.514 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc(C)c1F ZINC000873254628 642101182 /nfs/dbraw/zinc/10/11/82/642101182.db2.gz YPELQGFGGOMFRA-SGMGOOAPSA-N 2 0 250.361 2.830 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256329 642101489 /nfs/dbraw/zinc/10/14/89/642101489.db2.gz LTKABAKWQYKLDB-RFLUGMABSA-N 2 0 274.408 2.514 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000873255823 642101525 /nfs/dbraw/zinc/10/15/25/642101525.db2.gz ISBPCIQADNZLLA-QCEMKRCNSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873255636 642101848 /nfs/dbraw/zinc/10/18/48/642101848.db2.gz IQJYXZAPUMPGDO-FPMFFAJLSA-N 2 0 298.377 2.936 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000873255904 642101889 /nfs/dbraw/zinc/10/18/89/642101889.db2.gz KECNWTVBYYQIRX-YUELXQCFSA-N 2 0 284.407 2.569 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256013 642101909 /nfs/dbraw/zinc/10/19/09/642101909.db2.gz JOGRIKUPDACHNF-MPKXVKKWSA-N 2 0 297.240 2.707 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000873257532 642102690 /nfs/dbraw/zinc/10/26/90/642102690.db2.gz TXRROFISDLHUDN-JTNHKYCSSA-N 2 0 280.799 2.881 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000873257535 642102748 /nfs/dbraw/zinc/10/27/48/642102748.db2.gz TXRROFISDLHUDN-MJVIPROJSA-N 2 0 280.799 2.881 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3C[C@H]([NH3+])C3)oc21 ZINC000873257858 642103531 /nfs/dbraw/zinc/10/35/31/642103531.db2.gz VKSSXIVINOPDCQ-NQBHXWOUSA-N 2 0 274.364 2.829 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1 ZINC000873258425 642103626 /nfs/dbraw/zinc/10/36/26/642103626.db2.gz PSVWOQCXODBURL-SRVKXCTJSA-N 2 0 284.350 2.984 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000873258812 642103730 /nfs/dbraw/zinc/10/37/30/642103730.db2.gz VIFOXDZGBCRGMY-RUGDWHBFSA-N 2 0 270.420 2.664 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260493 642105432 /nfs/dbraw/zinc/10/54/32/642105432.db2.gz BQVQYVAJXVVKQS-ZTYXSZCMSA-N 2 0 250.430 2.931 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261993 642106162 /nfs/dbraw/zinc/10/61/62/642106162.db2.gz UXDVPMUYJBAJKH-XLWJZTARSA-N 2 0 250.430 2.931 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c(C)n1 ZINC000873267725 642110302 /nfs/dbraw/zinc/11/03/02/642110302.db2.gz INDJZXXQCWGLIE-OCCSQVGLSA-N 2 0 261.413 2.737 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000873267587 642110356 /nfs/dbraw/zinc/11/03/56/642110356.db2.gz GVDOQFCNLWSIRU-ZIAGYGMSSA-N 2 0 275.440 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000873269437 642111818 /nfs/dbraw/zinc/11/18/18/642111818.db2.gz HEQVNGIIKFWFKM-GJZGRUSLSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000873269169 642111877 /nfs/dbraw/zinc/11/18/77/642111877.db2.gz DDSMCFTYOVYRKM-CABCVRRESA-N 2 0 298.434 2.911 20 0 CFADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC[NH2+]CC1 ZINC000873271199 642112555 /nfs/dbraw/zinc/11/25/55/642112555.db2.gz FBPVSFSFNDEOEK-KSSFIOAISA-N 2 0 272.436 2.985 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000873272152 642113424 /nfs/dbraw/zinc/11/34/24/642113424.db2.gz PQUVWZQPNOPBAA-MEDUHNTESA-N 2 0 298.377 2.630 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272423 642113539 /nfs/dbraw/zinc/11/35/39/642113539.db2.gz SDENEJCKKGGERJ-GRDNDAEWSA-N 2 0 276.424 2.740 20 0 CFADRP CC[C@H](NCc1cccc2ncccc12)[C@@H]1CCC[NH2+]1 ZINC000873283781 642117911 /nfs/dbraw/zinc/11/79/11/642117911.db2.gz KDFUXPBSOQXGMG-RDJZCZTQSA-N 2 0 269.392 2.855 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283473 642118321 /nfs/dbraw/zinc/11/83/21/642118321.db2.gz URWKGLAOGXQKLJ-YUMQZZPRSA-N 2 0 295.736 2.969 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873285114 642119151 /nfs/dbraw/zinc/11/91/51/642119151.db2.gz YPZZVPXCEGPAJQ-WBVHZDCISA-N 2 0 269.392 2.984 20 0 CFADRP C([NH2+]C1CCCCCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289558 642121953 /nfs/dbraw/zinc/12/19/53/642121953.db2.gz JMGPPIHQIQACBL-MRXNPFEDSA-N 2 0 280.456 2.848 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C ZINC000873290866 642123157 /nfs/dbraw/zinc/12/31/57/642123157.db2.gz BJHSTWMOCUXKGE-LVQVYYBASA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291496 642123891 /nfs/dbraw/zinc/12/38/91/642123891.db2.gz WLDYYQCRRPOLEU-KGLIPLIRSA-N 2 0 294.464 2.948 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292145 642123974 /nfs/dbraw/zinc/12/39/74/642123974.db2.gz OMLONQDOZJNNCY-ZBFHGGJFSA-N 2 0 280.456 2.704 20 0 CFADRP CCCCC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291861 642124169 /nfs/dbraw/zinc/12/41/69/642124169.db2.gz YPRFXZXEOINGDW-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](NC1CC(Nc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000873295934 642126826 /nfs/dbraw/zinc/12/68/26/642126826.db2.gz SPPSNILHRJDAJK-MFNRNEDNSA-N 2 0 273.424 2.750 20 0 CFADRP CC(C)[NH+](CCNC1CC[NH+](C(C)C)CC1)C(C)C ZINC000019900946 642190086 /nfs/dbraw/zinc/19/00/86/642190086.db2.gz BVMALLIEQBDNDA-UHFFFAOYSA-N 2 0 269.477 2.568 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020072394 642294374 /nfs/dbraw/zinc/29/43/74/642294374.db2.gz MGNGSNGOGQQZLZ-UHFFFAOYSA-N 2 0 289.467 2.713 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876774562 643003460 /nfs/dbraw/zinc/00/34/60/643003460.db2.gz ZJKWGZNOGKYCNJ-GASCZTMLSA-N 2 0 289.423 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C)CCCC3)CC[C@@H]21 ZINC000876812550 643019803 /nfs/dbraw/zinc/01/98/03/643019803.db2.gz MPTDCWBVGQGPPY-GJZGRUSLSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(Cl)nn1 ZINC000876933404 643069636 /nfs/dbraw/zinc/06/96/36/643069636.db2.gz OJFICXLDDTWAKK-ZDUSSCGKSA-N 2 0 296.846 2.874 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877113962 643157356 /nfs/dbraw/zinc/15/73/56/643157356.db2.gz IKSQJUZXKOXYBR-CXQJBGSLSA-N 2 0 279.255 2.890 20 0 CFADRP [NH3+][C@@H](CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000877136477 643171489 /nfs/dbraw/zinc/17/14/89/643171489.db2.gz GAPQIGJKWAVROQ-YESZJQIVSA-N 2 0 295.386 2.530 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(OC)cnc1F ZINC000877141631 643175350 /nfs/dbraw/zinc/17/53/50/643175350.db2.gz BPFNAFKXHAJLKK-ZDUSSCGKSA-N 2 0 297.418 2.829 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000089145458 650828468 /nfs/dbraw/zinc/82/84/68/650828468.db2.gz CXPLMJOASMEUKU-NWANDNLSSA-N 2 0 292.423 2.872 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877521179 643325120 /nfs/dbraw/zinc/32/51/20/643325120.db2.gz SAIHVXJJNHCHBX-QWRGUYRKSA-N 2 0 265.228 2.644 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000877531442 643334446 /nfs/dbraw/zinc/33/44/46/643334446.db2.gz MWSWXFNKUVEUHR-KGLIPLIRSA-N 2 0 270.486 2.934 20 0 CFADRP COc1c(C)cnc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000877583799 643379195 /nfs/dbraw/zinc/37/91/95/643379195.db2.gz AUPNLVHGEBUJTO-OAHLLOKOSA-N 2 0 291.439 2.529 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684361 643453251 /nfs/dbraw/zinc/45/32/51/643453251.db2.gz NPBUUVWYJNJEGG-HOTGVXAUSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746788 643524956 /nfs/dbraw/zinc/52/49/56/643524956.db2.gz XBHBLTRWRCKSFP-SJORKVTESA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1C[C@@H]1C)CC1CC[NH+](C)CC1 ZINC000877767745 643546302 /nfs/dbraw/zinc/54/63/02/643546302.db2.gz VWLUDWPJDGQJDU-HOCLYGCPSA-N 2 0 252.446 2.942 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC=CO1 ZINC000877767350 643546684 /nfs/dbraw/zinc/54/66/84/643546684.db2.gz FMFXXCXNUNCOTJ-KRWDZBQOSA-N 2 0 280.456 2.979 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC000877975336 643674771 /nfs/dbraw/zinc/67/47/71/643674771.db2.gz GKACUVSYZQBOMX-KRWDZBQOSA-N 2 0 284.488 2.837 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000090077278 650863738 /nfs/dbraw/zinc/86/37/38/650863738.db2.gz LHZGEXWVROKDBB-KCXAZCMYSA-N 2 0 296.842 2.693 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000877989422 643682084 /nfs/dbraw/zinc/68/20/84/643682084.db2.gz ULJNLBMPRZZKMV-UHFFFAOYSA-N 2 0 282.350 2.577 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000877988942 643682240 /nfs/dbraw/zinc/68/22/40/643682240.db2.gz NEQFRTSTBVLURK-ULQDDVLXSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)CC(C)(C)C ZINC000878109204 643740378 /nfs/dbraw/zinc/74/03/78/643740378.db2.gz NNOYIVOQZBSQOK-OAHLLOKOSA-N 2 0 284.488 2.837 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878159884 643767659 /nfs/dbraw/zinc/76/76/59/643767659.db2.gz YQXCSXQNNGOBPI-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878159837 643768035 /nfs/dbraw/zinc/76/80/35/643768035.db2.gz XJVAZRFDTNORNJ-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878161928 643769516 /nfs/dbraw/zinc/76/95/16/643769516.db2.gz GQHIBBKQBAAHDK-HZPDHXFCSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)[NH2+]C1CCN(C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878236181 643802327 /nfs/dbraw/zinc/80/23/27/643802327.db2.gz SCZVSKRCHYUAGS-OAHLLOKOSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)CC(C)(C)C ZINC000878247797 643807237 /nfs/dbraw/zinc/80/72/37/643807237.db2.gz IBBNXMYMPNWCJR-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878313675 643834132 /nfs/dbraw/zinc/83/41/32/643834132.db2.gz DISOJGNNZSDBQO-RHSMWYFYSA-N 2 0 276.424 2.605 20 0 CFADRP CC(C)[C@H](O)CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314454 643835871 /nfs/dbraw/zinc/83/58/71/643835871.db2.gz OSKPELBIXGXKGU-QGZVFWFLSA-N 2 0 278.440 2.587 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC3(CCC3)C1)C2 ZINC000878663365 643982581 /nfs/dbraw/zinc/98/25/81/643982581.db2.gz YMQHSWFQISVLFW-QGZVFWFLSA-N 2 0 262.441 2.984 20 0 CFADRP COCC[N@H+](CCCC1CCC1)CC1CC[NH+](C)CC1 ZINC000879127600 644151995 /nfs/dbraw/zinc/15/19/95/644151995.db2.gz ZGTXSMBUVXFEQC-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H](c1ccncc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247724 644193307 /nfs/dbraw/zinc/19/33/07/644193307.db2.gz HGZUXSSXXALAHS-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)CC2 ZINC000879250256 644194518 /nfs/dbraw/zinc/19/45/18/644194518.db2.gz AJAOGQNGCLVFBV-ULQDDVLXSA-N 2 0 292.467 2.752 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCC(C)(C)O1)CC2 ZINC000879249871 644194831 /nfs/dbraw/zinc/19/48/31/644194831.db2.gz DHXNYEIODKCGSB-OAHLLOKOSA-N 2 0 280.456 2.752 20 0 CFADRP CO[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CCC1 ZINC000879250981 644194998 /nfs/dbraw/zinc/19/49/98/644194998.db2.gz NWWPQWNVBSPRAB-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)n1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879248659 644195018 /nfs/dbraw/zinc/19/50/18/644195018.db2.gz WNNNNOSXHYGSGL-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP C[C@H](c1cccnc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247992 644195035 /nfs/dbraw/zinc/19/50/35/644195035.db2.gz KSXASSNWXCXXQT-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC[C@H]1CCCCO1)CC2 ZINC000879249904 644195158 /nfs/dbraw/zinc/19/51/58/644195158.db2.gz FLMPNDXCMJOUGI-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846524 650909622 /nfs/dbraw/zinc/90/96/22/650909622.db2.gz VPHMCUYMDXMGMA-FHERZECASA-N 2 0 297.487 2.519 20 0 CFADRP C[N@H+](Cc1cnn(-c2ccccc2)c1)C1CCC([NH3+])CC1 ZINC000091844815 650910198 /nfs/dbraw/zinc/91/01/98/650910198.db2.gz AAUPYLXVRSXILA-UHFFFAOYSA-N 2 0 284.407 2.574 20 0 CFADRP CCCCN(CCCC)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847981 650910524 /nfs/dbraw/zinc/91/05/24/650910524.db2.gz BFVQOBVRSVNHGP-UHFFFAOYSA-N 2 0 297.487 2.617 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580019 644336944 /nfs/dbraw/zinc/33/69/44/644336944.db2.gz DEKGXDDSCHXXCM-RCCFBDPRSA-N 2 0 288.435 2.790 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000092275276 650917499 /nfs/dbraw/zinc/91/74/99/650917499.db2.gz HKPPXBIYQIJFQF-CQSZACIVSA-N 2 0 276.449 2.807 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC(C)([NH+]3CCCCC3)CC2)CCO1 ZINC000879951351 644470367 /nfs/dbraw/zinc/47/03/67/644470367.db2.gz LJSWUVAQVSQRFY-HZPDHXFCSA-N 2 0 280.456 2.894 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](SC)C2)CC1 ZINC000128298295 644603578 /nfs/dbraw/zinc/60/35/78/644603578.db2.gz UINWYXIDJZJLFB-KBPBESRZSA-N 2 0 256.459 2.735 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CCCCCO)CC1 ZINC000880257054 644615890 /nfs/dbraw/zinc/61/58/90/644615890.db2.gz RNRVKTHDCGWZMH-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880259449 644617165 /nfs/dbraw/zinc/61/71/65/644617165.db2.gz TVTPFCMGTLJHOZ-WBVHZDCISA-N 2 0 289.423 2.551 20 0 CFADRP C[C@@H]1C[N@H+](CCC(=O)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880261052 644618778 /nfs/dbraw/zinc/61/87/78/644618778.db2.gz TVTNOTRCPSQKTQ-CQSZACIVSA-N 2 0 289.423 2.597 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261264 644618794 /nfs/dbraw/zinc/61/87/94/644618794.db2.gz HYPDUUMIMHTMKO-LSDHHAIUSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261260 644619141 /nfs/dbraw/zinc/61/91/41/644619141.db2.gz HYPDUUMIMHTMKO-GJZGRUSLSA-N 2 0 282.391 2.748 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516239 650941885 /nfs/dbraw/zinc/94/18/85/650941885.db2.gz HNIIGHCFMJDNGI-PMPSAXMXSA-N 2 0 269.477 2.617 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249040529 650952399 /nfs/dbraw/zinc/95/23/99/650952399.db2.gz URFKUKLSBDNYAR-YQQAZPJKSA-N 2 0 278.440 2.922 20 0 CFADRP CS[C@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000128615000 644839415 /nfs/dbraw/zinc/83/94/15/644839415.db2.gz SLSLPVTXQKYILL-KBPBESRZSA-N 2 0 256.459 2.733 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000094339123 650956525 /nfs/dbraw/zinc/95/65/25/650956525.db2.gz VRNXLQRTZISLHB-WBMJQRKESA-N 2 0 269.392 2.712 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094365373 650957316 /nfs/dbraw/zinc/95/73/16/650957316.db2.gz ORHXEEIZVPDYPK-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000249941216 650970111 /nfs/dbraw/zinc/97/01/11/650970111.db2.gz HNIIGHCFMJDNGI-OWCLPIDISA-N 2 0 269.477 2.617 20 0 CFADRP C[C@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000303358347 650993318 /nfs/dbraw/zinc/99/33/18/650993318.db2.gz ACTMFDKZCAEKJT-ZIAGYGMSSA-N 2 0 274.412 2.886 20 0 CFADRP COc1ccccc1[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130170428 645466223 /nfs/dbraw/zinc/46/62/23/645466223.db2.gz UUBOJMTZZWUZKU-QLFBSQMISA-N 2 0 274.408 2.973 20 0 CFADRP CC1CCN(C(=[NH2+])NCCCCC[NH+]2CCCCC2)CC1 ZINC000304056534 651014367 /nfs/dbraw/zinc/01/43/67/651014367.db2.gz MLNFELOSZFZXOU-UHFFFAOYSA-N 2 0 294.487 2.899 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000252678138 651016126 /nfs/dbraw/zinc/01/61/26/651016126.db2.gz CXPLMJOASMEUKU-QEJZJMRPSA-N 2 0 292.423 2.872 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883049879 645582395 /nfs/dbraw/zinc/58/23/95/645582395.db2.gz XTDICDWHYADENC-FZMABENVSA-N 2 0 292.467 2.533 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000131031359 645610731 /nfs/dbraw/zinc/61/07/31/645610731.db2.gz WQVUSLNZVUBVGJ-UHFFFAOYSA-N 2 0 258.365 2.864 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000883189463 645651744 /nfs/dbraw/zinc/65/17/44/645651744.db2.gz HVTVEIFEZSYUBZ-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CC[N@H+](Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000253201375 651040016 /nfs/dbraw/zinc/04/00/16/651040016.db2.gz XXMZLXFMAXGXKB-QWHCGFSZSA-N 2 0 258.365 2.850 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCOC1 ZINC000883352508 645755734 /nfs/dbraw/zinc/75/57/34/645755734.db2.gz CDFXNCULCACVHK-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883416414 645808885 /nfs/dbraw/zinc/80/88/85/645808885.db2.gz UHQAPTBGRYAIOX-DLBZAZTESA-N 2 0 274.408 2.591 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416447 645810052 /nfs/dbraw/zinc/81/00/52/645810052.db2.gz VFOPVBZBWOLWCM-BHYGNILZSA-N 2 0 274.408 2.577 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883417631 645810503 /nfs/dbraw/zinc/81/05/03/645810503.db2.gz IEKBAQOYVHNGAF-HPBDAGMYSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883417043 645811105 /nfs/dbraw/zinc/81/11/05/645811105.db2.gz MFYVUWAHECQVFA-BMGDILEWSA-N 2 0 288.435 2.966 20 0 CFADRP C[N@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)C[NH3+] ZINC000883417647 645811402 /nfs/dbraw/zinc/81/14/02/645811402.db2.gz INYXFQLUUKDKHN-CVEARBPZSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000883417299 645811421 /nfs/dbraw/zinc/81/14/21/645811421.db2.gz VXTGVLPIXCZPKE-YPMHNXCESA-N 2 0 260.372 2.871 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883417644 645811666 /nfs/dbraw/zinc/81/16/66/645811666.db2.gz IJVJTSRJCUIAJH-XBVQOTNRSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000883418295 645812999 /nfs/dbraw/zinc/81/29/99/645812999.db2.gz CRICNXNROABPFF-CYBMUJFWSA-N 2 0 290.398 2.642 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883425456 645819000 /nfs/dbraw/zinc/81/90/00/645819000.db2.gz UYMDOIRRUIQGCP-HPBDAGMYSA-N 2 0 288.435 2.966 20 0 CFADRP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)O2)cc1 ZINC000883428435 645822063 /nfs/dbraw/zinc/82/20/63/645822063.db2.gz UFNYFLZHLGHTET-TVFCKZIOSA-N 2 0 286.419 2.591 20 0 CFADRP CC1(C)CCC[C@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)O1 ZINC000883428064 645822324 /nfs/dbraw/zinc/82/23/24/645822324.db2.gz KWEIRXONYDUAIE-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP NC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)C1CCCCC1 ZINC000883429618 645823339 /nfs/dbraw/zinc/82/33/39/645823339.db2.gz AJEHNJBLWHZRGR-LSDHHAIUSA-N 2 0 266.429 2.585 20 0 CFADRP CC(C)(C)[C@@H](CN)[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000883430298 645823706 /nfs/dbraw/zinc/82/37/06/645823706.db2.gz RRXLPKPMGBNPTJ-VXGBXAGGSA-N 2 0 256.434 2.543 20 0 CFADRP FC(F)(F)OCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429086 645824321 /nfs/dbraw/zinc/82/43/21/645824321.db2.gz KZICDJZLSKJTNL-OLZOCXBDSA-N 2 0 294.361 2.625 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@@H]1C[NH3+] ZINC000883432315 645826700 /nfs/dbraw/zinc/82/67/00/645826700.db2.gz PCYIPPZFIKUINB-UBDQQSCGSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@H]([NH3+])CN(C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883438366 645832161 /nfs/dbraw/zinc/83/21/61/645832161.db2.gz QYRWTMVXVRJQBG-CWRNSKLLSA-N 2 0 262.397 2.576 20 0 CFADRP C[NH2+]C[C@H]1CCCCN1CCCOCCc1ccccc1 ZINC000883449397 645837676 /nfs/dbraw/zinc/83/76/76/645837676.db2.gz OEZSBTBIIFGBEO-GOSISDBHSA-N 2 0 290.451 2.710 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883458721 645842200 /nfs/dbraw/zinc/84/22/00/645842200.db2.gz VCRMTRWMUFXOQB-UHFFFAOYSA-N 2 0 281.403 2.953 20 0 CFADRP c1cnn(-c2ccc(C[N@@H+]3CC[NH2+]CCC34CCC4)cc2)c1 ZINC000883458485 645842611 /nfs/dbraw/zinc/84/26/11/645842611.db2.gz LHIAOMMLZGCBHK-UHFFFAOYSA-N 2 0 296.418 2.590 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCS2 ZINC000132074991 645872998 /nfs/dbraw/zinc/87/29/98/645872998.db2.gz QFDLOTSPPBJEIY-SMDDNHRTSA-N 2 0 280.412 2.952 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000800173395 646169319 /nfs/dbraw/zinc/16/93/19/646169319.db2.gz GZWNLGAGMDJGJD-HNNXBMFYSA-N 2 0 284.444 2.526 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000134007161 646265084 /nfs/dbraw/zinc/26/50/84/646265084.db2.gz DKXJDUPZIMPLMP-RWMBFGLXSA-N 2 0 256.459 2.638 20 0 CFADRP Cc1n[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000885906362 646765909 /nfs/dbraw/zinc/76/59/09/646765909.db2.gz YRQINPQUQVCHJO-UHFFFAOYSA-N 2 0 298.434 2.912 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885924503 646769522 /nfs/dbraw/zinc/76/95/22/646769522.db2.gz RFAUSQFLMNREND-DRDHIDPGSA-N 2 0 262.372 2.770 20 0 CFADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000886010010 646813722 /nfs/dbraw/zinc/81/37/22/646813722.db2.gz CBVNVMVMAMQPRE-FUHWJXTLSA-N 2 0 290.451 2.723 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@@H]21 ZINC000886043373 646838096 /nfs/dbraw/zinc/83/80/96/646838096.db2.gz AZAURNLTNKWYCO-QZWWFDLISA-N 2 0 262.441 2.839 20 0 CFADRP C[N@H+](CCCn1ccnc1)C[C@H]1CCC2(CCC2)CO1 ZINC000886093726 646863676 /nfs/dbraw/zinc/86/36/76/646863676.db2.gz GPPXOKVPBGPHDJ-OAHLLOKOSA-N 2 0 277.412 2.554 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000886142370 646892094 /nfs/dbraw/zinc/89/20/94/646892094.db2.gz AQZNHSXLOOSWBF-LBPRGKRZSA-N 2 0 267.804 2.557 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CC[C@H](C4CC4)O3)C2)CC1 ZINC000886185713 646911905 /nfs/dbraw/zinc/91/19/05/646911905.db2.gz FGLNTFGAYBUHNE-IAGOWNOFSA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000886422652 646998609 /nfs/dbraw/zinc/99/86/09/646998609.db2.gz VSUUKXAQTFXPTL-QZTJIDSGSA-N 2 0 292.467 2.544 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000886508570 647023551 /nfs/dbraw/zinc/02/35/51/647023551.db2.gz FNISVEDISBOVQD-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000886523030 647027736 /nfs/dbraw/zinc/02/77/36/647027736.db2.gz VPEQAXKFBNMGHV-UPTPFMHGSA-N 2 0 291.483 2.610 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886524131 647028062 /nfs/dbraw/zinc/02/80/62/647028062.db2.gz DGEUMAVLNCXNQI-UHFFFAOYSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000886533354 647034259 /nfs/dbraw/zinc/03/42/59/647034259.db2.gz ZEAWTMAPNMNGMV-ZLZJIPBDSA-N 2 0 293.499 2.856 20 0 CFADRP CC[C@@H](CCO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538624 647036846 /nfs/dbraw/zinc/03/68/46/647036846.db2.gz LIGZDKFSUORPTQ-GTPINHCMSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886553288 647044469 /nfs/dbraw/zinc/04/44/69/647044469.db2.gz ITMZAPLGPKBGOB-AVVWSFFYSA-N 2 0 273.424 2.779 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000886594802 647059634 /nfs/dbraw/zinc/05/96/34/647059634.db2.gz UNXMKQBMKVGVMP-RZZCCWGQSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccn(C)n1 ZINC000886625245 647074399 /nfs/dbraw/zinc/07/43/99/647074399.db2.gz LQCHHUVHHNJRAU-HPUBIQBYSA-N 2 0 290.455 2.868 20 0 CFADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886625699 647075409 /nfs/dbraw/zinc/07/54/09/647075409.db2.gz XRZGOLONPTVXSY-GMRIPVOYSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000886626812 647075500 /nfs/dbraw/zinc/07/55/00/647075500.db2.gz LLLGKZMZBCVFRP-RZZCCWGQSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C)c1 ZINC000886646965 647086446 /nfs/dbraw/zinc/08/64/46/647086446.db2.gz ZIEQQOAHNFSIIW-AQFXKWCLSA-N 2 0 292.471 2.970 20 0 CFADRP CCO[C@H](C[NH+]1CCC(CC)([NH+]2CCC2)CC1)C1CC1 ZINC000886720199 647122057 /nfs/dbraw/zinc/12/20/57/647122057.db2.gz WEWKNYPPGFIVGX-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP COc1ccc(F)cc1CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000886722055 647122309 /nfs/dbraw/zinc/12/23/09/647122309.db2.gz SQMTYESBGMLHSI-UHFFFAOYSA-N 2 0 294.414 2.839 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886841305 647160365 /nfs/dbraw/zinc/16/03/65/647160365.db2.gz HTUFERXIRYKFQS-SFFUCWETSA-N 2 0 292.467 2.783 20 0 CFADRP C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841907 647160595 /nfs/dbraw/zinc/16/05/95/647160595.db2.gz ZWDUHKKPGMJWNL-KSZLIROESA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871780 647165223 /nfs/dbraw/zinc/16/52/23/647165223.db2.gz ATWRUDNWDIOAIZ-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP CCCC[N@H+](CCOCC[NH3+])[C@H](C)c1ccc(C)o1 ZINC000886882574 647167244 /nfs/dbraw/zinc/16/72/44/647167244.db2.gz XDWFYKOFTULZMF-CQSZACIVSA-N 2 0 268.401 2.726 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCCCCO ZINC000887132335 647222194 /nfs/dbraw/zinc/22/21/94/647222194.db2.gz CWOWBJQCAXNWLN-INIZCTEOSA-N 2 0 291.439 2.535 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCCF ZINC000887134536 647223436 /nfs/dbraw/zinc/22/34/36/647223436.db2.gz LIRNXPCSUKXTQX-CQSZACIVSA-N 2 0 265.376 2.732 20 0 CFADRP Cc1cnccc1CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134666 647223687 /nfs/dbraw/zinc/22/36/87/647223687.db2.gz NNLMKNAAEQKLEE-MRXNPFEDSA-N 2 0 296.418 2.538 20 0 CFADRP CN(CCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925495946 647867725 /nfs/dbraw/zinc/86/77/25/647867725.db2.gz SUNUXWASNGDCTQ-SJORKVTESA-N 2 0 287.451 2.763 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000925496188 647870673 /nfs/dbraw/zinc/87/06/73/647870673.db2.gz YIDJDTYOHKKUDY-ZNMIVQPWSA-N 2 0 293.480 2.615 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC)n1 ZINC000924529988 647987897 /nfs/dbraw/zinc/98/78/97/647987897.db2.gz YENIBMKBFPLXNZ-KGLIPLIRSA-N 2 0 295.475 2.768 20 0 CFADRP COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924537763 647989761 /nfs/dbraw/zinc/98/97/61/647989761.db2.gz NLVKXMAEPUPXIE-AYHJJNSGSA-N 2 0 288.435 2.808 20 0 CFADRP CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924539922 647990808 /nfs/dbraw/zinc/99/08/08/647990808.db2.gz UEVSABFFLXNQAE-MQVJKMGUSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C(C)(C)O)cc1 ZINC000924541978 647991416 /nfs/dbraw/zinc/99/14/16/647991416.db2.gz WTYMGXGZVJQJJA-ZDUSSCGKSA-N 2 0 264.413 2.516 20 0 CFADRP C(C[NH2+][C@@H]1CCOC12CCCCC2)C[NH+]1CCCCC1 ZINC000924577585 647998458 /nfs/dbraw/zinc/99/84/58/647998458.db2.gz HSRWNCLRHVKDAE-MRXNPFEDSA-N 2 0 280.456 2.944 20 0 CFADRP C(C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000924577514 647998557 /nfs/dbraw/zinc/99/85/57/647998557.db2.gz FZGXJELTSRUFIR-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924574201 647998565 /nfs/dbraw/zinc/99/85/65/647998565.db2.gz UIKSMXCCAYREBD-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC(NCCC[NH+]2CCCCC2)CC1 ZINC000924579453 647999173 /nfs/dbraw/zinc/99/91/73/647999173.db2.gz XCPCCJDGNXCGLZ-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]Cc3cccc(C[NH+](C)C)c3)C2)CO1 ZINC000924606333 648005757 /nfs/dbraw/zinc/00/57/57/648005757.db2.gz KPKUUUAYDVEKRY-RWBZWWBESA-N 2 0 288.435 2.795 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]1C ZINC000924607076 648006579 /nfs/dbraw/zinc/00/65/79/648006579.db2.gz PQRVBJHCKALWFJ-VKJFTORMSA-N 2 0 288.435 2.795 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1cccc2c1OCO2 ZINC000924618166 648009704 /nfs/dbraw/zinc/00/97/04/648009704.db2.gz WFSPXEHLIVPFIB-ZDUSSCGKSA-N 2 0 278.396 2.796 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000924651583 648019544 /nfs/dbraw/zinc/01/95/44/648019544.db2.gz YYBUNIVARQAOOG-INIZCTEOSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)CO1 ZINC000924683122 648025697 /nfs/dbraw/zinc/02/56/97/648025697.db2.gz FFTWTAHEOQYBPA-ZGOKBZQCSA-N 2 0 294.483 2.902 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000924681795 648025972 /nfs/dbraw/zinc/02/59/72/648025972.db2.gz AJYYABDKKLNSEN-MSOLQXFVSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924689004 648027478 /nfs/dbraw/zinc/02/74/78/648027478.db2.gz WEDLBDURBIPWML-ILXRZTDVSA-N 2 0 291.443 2.528 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(O)cc(F)c1 ZINC000924696963 648030081 /nfs/dbraw/zinc/03/00/81/648030081.db2.gz RMTVXLMJSUOXLT-GLQYFDAESA-N 2 0 278.371 2.809 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924704447 648031586 /nfs/dbraw/zinc/03/15/86/648031586.db2.gz DSAMGBXMKFJFKB-LSDHHAIUSA-N 2 0 290.451 2.906 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1(Cl)CC1 ZINC000924705655 648031783 /nfs/dbraw/zinc/03/17/83/648031783.db2.gz YRZSWUUYARDZJL-CYBMUJFWSA-N 2 0 296.842 2.877 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924714223 648033510 /nfs/dbraw/zinc/03/35/10/648033510.db2.gz WZIYJAOXTKYSRG-WBVHZDCISA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)C[NH+]1CCCCC1 ZINC000924722716 648035453 /nfs/dbraw/zinc/03/54/53/648035453.db2.gz UGHIIWKWHUFNPL-NJINODPHSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000924722310 648035655 /nfs/dbraw/zinc/03/56/55/648035655.db2.gz RXUAFIHTSHBEJB-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000924722311 648036043 /nfs/dbraw/zinc/03/60/43/648036043.db2.gz RXUAFIHTSHBEJB-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000924754008 648041268 /nfs/dbraw/zinc/04/12/68/648041268.db2.gz RRQCEKNGCAOVSE-IKGGRYGDSA-N 2 0 282.472 2.639 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)C[C@](C)(O)CC)C1 ZINC000924754598 648042694 /nfs/dbraw/zinc/04/26/94/648042694.db2.gz UKHVZWRAHRUQLQ-BZUAXINKSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000924856829 648060767 /nfs/dbraw/zinc/06/07/67/648060767.db2.gz YKHMGNQTCLKDIE-OAHLLOKOSA-N 3 0 277.456 2.741 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1(Cl)CC1 ZINC000924861998 648062941 /nfs/dbraw/zinc/06/29/41/648062941.db2.gz NVSHRUYDLYTKFU-ZDUSSCGKSA-N 2 0 296.842 2.877 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924954940 648078933 /nfs/dbraw/zinc/07/89/33/648078933.db2.gz YHVSJRQHKXQMNO-SJORKVTESA-N 2 0 297.531 2.776 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C2CCC2)c1 ZINC000924961721 648080567 /nfs/dbraw/zinc/08/05/67/648080567.db2.gz BBIRMFYOJVQAAI-CYBMUJFWSA-N 2 0 276.428 2.601 20 0 CFADRP COc1ccnc([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000924961165 648080583 /nfs/dbraw/zinc/08/05/83/648080583.db2.gz UYKHCOIKQCQUTB-GJZGRUSLSA-N 2 0 291.439 2.861 20 0 CFADRP c1cc2c(cc1OCCC[NH+]1CCCCC1)CC[NH2+]CC2 ZINC000034058068 648085468 /nfs/dbraw/zinc/08/54/68/648085468.db2.gz LABRWGKKPFQRIQ-UHFFFAOYSA-N 2 0 288.435 2.630 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924989247 648085509 /nfs/dbraw/zinc/08/55/09/648085509.db2.gz DDJUOPQWVJHHSV-HZPDHXFCSA-N 2 0 283.504 2.529 20 0 CFADRP CC(C)(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000925023709 648089644 /nfs/dbraw/zinc/08/96/44/648089644.db2.gz PGRUNMQRYAYBBB-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP CSC1CC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000925087745 648103006 /nfs/dbraw/zinc/10/30/06/648103006.db2.gz YWSBFQIXZXNLTR-BPCQOVAHSA-N 2 0 258.475 2.836 20 0 CFADRP CC[C@@H]1CCCCN1CC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925050026 648095178 /nfs/dbraw/zinc/09/51/78/648095178.db2.gz CBFPFCAGDMLAFQ-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000925086330 648102574 /nfs/dbraw/zinc/10/25/74/648102574.db2.gz OCUXBXZFQFBSHG-HOCLYGCPSA-N 2 0 277.456 2.969 20 0 CFADRP CC[C@H](CCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925120906 648110281 /nfs/dbraw/zinc/11/02/81/648110281.db2.gz LNFXJRPHGXMOGY-CZUORRHYSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]([NH2+]CCNc1ccccn1)c1cccc(C[NH+](C)C)c1 ZINC000925126190 648112002 /nfs/dbraw/zinc/11/20/02/648112002.db2.gz MYWMJHJTOUBKCS-OAHLLOKOSA-N 2 0 298.434 2.906 20 0 CFADRP c1cn2c(n1)[C@@H](C[NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)CCC2 ZINC000925167668 648122270 /nfs/dbraw/zinc/12/22/70/648122270.db2.gz DCXKYTDMANBEMY-GBJTYRQASA-N 2 0 257.381 2.705 20 0 CFADRP c1cn2c(n1)[C@H](C[NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)CCC2 ZINC000925167669 648122478 /nfs/dbraw/zinc/12/24/78/648122478.db2.gz DCXKYTDMANBEMY-LJISPDSOSA-N 2 0 257.381 2.705 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000925267414 648147066 /nfs/dbraw/zinc/14/70/66/648147066.db2.gz HSKUUSNZDNNYBU-YJBOKZPZSA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCc2ccncc2)CC1 ZINC000925279846 648149331 /nfs/dbraw/zinc/14/93/31/648149331.db2.gz SLLLCIMHWMVYQQ-UHFFFAOYSA-N 2 0 275.440 2.724 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925482754 648179787 /nfs/dbraw/zinc/17/97/87/648179787.db2.gz UJCLDQOGCAGDQS-LSDHHAIUSA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925482623 648180054 /nfs/dbraw/zinc/18/00/54/648180054.db2.gz WKURWPYNNWITRS-HOTGVXAUSA-N 2 0 274.408 2.833 20 0 CFADRP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479647 648180332 /nfs/dbraw/zinc/18/03/32/648180332.db2.gz JEHAJQNOAQGSBG-AEFFLSMTSA-N 3 0 289.467 2.788 20 0 CFADRP CC(C)c1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)on1 ZINC000925499243 648185138 /nfs/dbraw/zinc/18/51/38/648185138.db2.gz NNMUSKSMLGMYDS-RYUDHWBXSA-N 2 0 265.401 2.794 20 0 CFADRP c1ccc(OCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925504241 648187482 /nfs/dbraw/zinc/18/74/82/648187482.db2.gz NEBKDXXTLKAWIY-ROUUACIJSA-N 2 0 288.435 2.823 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925503889 648187596 /nfs/dbraw/zinc/18/75/96/648187596.db2.gz KWEHIGFBNBPKMM-JKSUJKDBSA-N 2 0 278.440 2.853 20 0 CFADRP CSCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925503686 648187680 /nfs/dbraw/zinc/18/76/80/648187680.db2.gz LEVKJKCXVPDIGM-CQSZACIVSA-N 2 0 252.427 2.809 20 0 CFADRP c1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925504364 648187753 /nfs/dbraw/zinc/18/77/53/648187753.db2.gz QCPCTRILSIBOSG-ROUUACIJSA-N 2 0 272.436 2.987 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925504212 648188088 /nfs/dbraw/zinc/18/80/88/648188088.db2.gz NASWHHKTSNLSMD-CABCVRRESA-N 2 0 276.399 2.963 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504960 648188640 /nfs/dbraw/zinc/18/86/40/648188640.db2.gz OUZQWGKSHCBSBZ-ILXRZTDVSA-N 3 0 283.504 2.848 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925508127 648189918 /nfs/dbraw/zinc/18/99/18/648189918.db2.gz YMZPAUZCXVVXDO-HYVNUMGLSA-N 2 0 288.435 2.604 20 0 CFADRP COCc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1F ZINC000925509278 648190712 /nfs/dbraw/zinc/19/07/12/648190712.db2.gz MUZNXKKPVNRRTH-GJZGRUSLSA-N 2 0 294.414 2.968 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOc2ccccc21 ZINC000925509001 648190715 /nfs/dbraw/zinc/19/07/15/648190715.db2.gz KYBKTXJQEOKPII-AQYCGZOBSA-N 2 0 272.392 2.616 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ccccc2F)C1 ZINC000925509037 648190802 /nfs/dbraw/zinc/19/08/02/648190802.db2.gz KLMHQQWDAHRTMU-CHWSQXEVSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000925511499 648191296 /nfs/dbraw/zinc/19/12/96/648191296.db2.gz NXMXFVDTZUVSKD-SOLBZPMBSA-N 2 0 289.467 2.785 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925510174 648191643 /nfs/dbraw/zinc/19/16/43/648191643.db2.gz UCARIMVCWUFOCO-BMFZPTHFSA-N 2 0 258.409 2.958 20 0 CFADRP CC(C)[NH+](CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(C)C ZINC000925509959 648191766 /nfs/dbraw/zinc/19/17/66/648191766.db2.gz QRMCUFTZGUCSAE-MSOLQXFVSA-N 2 0 295.515 2.863 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925514101 648192865 /nfs/dbraw/zinc/19/28/65/648192865.db2.gz LHCKXHZNFONFLR-BZUAXINKSA-N 2 0 281.488 2.747 20 0 CFADRP C[N@H+](CCCN[C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000925518277 648195388 /nfs/dbraw/zinc/19/53/88/648195388.db2.gz OKJIGPBAUFFTQU-MRXNPFEDSA-N 2 0 279.472 2.515 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)COC1CCCCC1 ZINC000925520147 648196159 /nfs/dbraw/zinc/19/61/59/648196159.db2.gz QTEUOMDLXDWQER-MRXNPFEDSA-N 2 0 280.456 2.990 20 0 CFADRP CC(C)COCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925521556 648197774 /nfs/dbraw/zinc/19/77/74/648197774.db2.gz VOGRQKIENIFQAX-KBPBESRZSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c[nH]c21 ZINC000925522631 648198715 /nfs/dbraw/zinc/19/87/15/648198715.db2.gz NZVUCMWDHZRUJE-LVGQOLGVSA-N 2 0 295.430 2.605 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925527090 648200255 /nfs/dbraw/zinc/20/02/55/648200255.db2.gz PVWWPTJDMNZGMI-KRWDZBQOSA-N 2 0 287.451 2.513 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925525685 648200337 /nfs/dbraw/zinc/20/03/37/648200337.db2.gz DQECVDINSNNVIM-KGLIPLIRSA-N 2 0 270.461 2.671 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925526786 648200507 /nfs/dbraw/zinc/20/05/07/648200507.db2.gz LSWQQRUHIUTHIR-IKGGRYGDSA-N 2 0 288.435 2.699 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925525683 648200692 /nfs/dbraw/zinc/20/06/92/648200692.db2.gz DQECVDINSNNVIM-KBPBESRZSA-N 2 0 270.461 2.671 20 0 CFADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000925530779 648202388 /nfs/dbraw/zinc/20/23/88/648202388.db2.gz UHTCNFKTUAMYSC-DLBZAZTESA-N 2 0 291.483 2.643 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925531143 648203519 /nfs/dbraw/zinc/20/35/19/648203519.db2.gz XOJXLRZIQOTIMP-BZUAXINKSA-N 2 0 280.456 2.831 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(F)cc2F)C1 ZINC000925531998 648203707 /nfs/dbraw/zinc/20/37/07/648203707.db2.gz UEHVPXDPHXDXOV-QWHCGFSZSA-N 2 0 298.377 2.839 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925544611 648209998 /nfs/dbraw/zinc/20/99/98/648209998.db2.gz BUIUEYUMRMIAAG-MAUKXSAKSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000925545692 648210088 /nfs/dbraw/zinc/21/00/88/648210088.db2.gz JPWVFUKLAFZJQV-PMPSAXMXSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000925548911 648211256 /nfs/dbraw/zinc/21/12/56/648211256.db2.gz VDDJQLMHKONJTL-KLHDSHLOSA-N 2 0 281.488 2.602 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925557839 648215877 /nfs/dbraw/zinc/21/58/77/648215877.db2.gz PXDVHAQQBQDQLO-IMJJTQAJSA-N 2 0 272.392 2.542 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000925559742 648216403 /nfs/dbraw/zinc/21/64/03/648216403.db2.gz JQWBVJCVYQNLGX-ILMPWQCYSA-N 2 0 294.483 2.779 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925563679 648218846 /nfs/dbraw/zinc/21/88/46/648218846.db2.gz VCZPPXLXJLHYEQ-MRXNPFEDSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925566022 648220126 /nfs/dbraw/zinc/22/01/26/648220126.db2.gz BPMUIPCJWHWRQN-QWHCGFSZSA-N 2 0 279.453 2.634 20 0 CFADRP CN(C)c1ccccc1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925568757 648221928 /nfs/dbraw/zinc/22/19/28/648221928.db2.gz LXVZMOVOQFVQSX-PVAVHDDUSA-N 2 0 287.451 2.619 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cc3ccccc3o2)C12CCC2 ZINC000925579418 648225380 /nfs/dbraw/zinc/22/53/80/648225380.db2.gz FMJOZUMISUCDJE-HZPDHXFCSA-N 2 0 270.376 2.835 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)C12CCC2 ZINC000925579256 648225490 /nfs/dbraw/zinc/22/54/90/648225490.db2.gz KPHZEXLVGHWDHF-HOTGVXAUSA-N 2 0 296.418 2.506 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925578456 648225898 /nfs/dbraw/zinc/22/58/98/648225898.db2.gz FCPDGUIBCVIQRU-HZPDHXFCSA-N 2 0 274.408 2.623 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)CC2)cc1 ZINC000925583406 648227481 /nfs/dbraw/zinc/22/74/81/648227481.db2.gz DYXPXUWHNJRNIJ-HUUCEWRRSA-N 2 0 272.392 2.544 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CO[C@H](C)C3)C1 ZINC000925587857 648229512 /nfs/dbraw/zinc/22/95/12/648229512.db2.gz KJIOZFBYNMXYIP-VEZWFGLTSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CO[C@@H](C)C3)C1 ZINC000925587854 648229721 /nfs/dbraw/zinc/22/97/21/648229721.db2.gz KJIOZFBYNMXYIP-KNXWPPODSA-N 2 0 294.483 2.902 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)cc1 ZINC000925606787 648237344 /nfs/dbraw/zinc/23/73/44/648237344.db2.gz XUVAPIIVTZNLEJ-MJRVHVRYSA-N 2 0 268.404 2.519 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925607086 648237372 /nfs/dbraw/zinc/23/73/72/648237372.db2.gz NGWZDAJIEAGQGR-BZUAXINKSA-N 2 0 276.424 2.524 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925607085 648237597 /nfs/dbraw/zinc/23/75/97/648237597.db2.gz NGWZDAJIEAGQGR-ARFHVFGLSA-N 2 0 276.424 2.524 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCN[C@@H]3C)CC2)CC1 ZINC000925607449 648237963 /nfs/dbraw/zinc/23/79/63/648237963.db2.gz QDRHFYGMYBAMDA-CPFNUKBASA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+]1CCCC1 ZINC000925606661 648238041 /nfs/dbraw/zinc/23/80/41/648238041.db2.gz PMRXJGKMGQUVDW-PMPSAXMXSA-N 2 0 281.488 2.602 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C[C@@H]([NH3+])C1 ZINC000925609226 648239211 /nfs/dbraw/zinc/23/92/11/648239211.db2.gz QXTUOKWYBCSSRC-TYNCELHUSA-N 2 0 274.408 2.875 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)C12CCC2 ZINC000925616323 648241702 /nfs/dbraw/zinc/24/17/02/648241702.db2.gz QXUSSGPFQUNUIR-NCOADZHNSA-N 2 0 286.419 2.624 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925620253 648242635 /nfs/dbraw/zinc/24/26/35/648242635.db2.gz GABPKINUPVBBLA-RHSMWYFYSA-N 2 0 275.440 2.537 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925620332 648242696 /nfs/dbraw/zinc/24/26/96/648242696.db2.gz ULJMHLJZKBEBKU-IRXDYDNUSA-N 2 0 296.418 2.540 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925623259 648245156 /nfs/dbraw/zinc/24/51/56/648245156.db2.gz RYSNPRBGDDAVTJ-GPANFISMSA-N 2 0 280.456 2.987 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1Cc2ccccc2C1 ZINC000925625477 648246798 /nfs/dbraw/zinc/24/67/98/648246798.db2.gz IEDGTVWLUSZDIP-LPOKXYRGSA-N 2 0 284.447 2.897 20 0 CFADRP CC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925628066 648247566 /nfs/dbraw/zinc/24/75/66/648247566.db2.gz YBRVOLQDXWZGKJ-HOTGVXAUSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925630087 648248527 /nfs/dbraw/zinc/24/85/27/648248527.db2.gz QGQICNDUOVCAPN-OAGGEKHMSA-N 2 0 280.456 2.844 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925629582 648249060 /nfs/dbraw/zinc/24/90/60/648249060.db2.gz KIJFHRISACATCU-DDWPSWQVSA-N 2 0 292.398 2.761 20 0 CFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631743 648250831 /nfs/dbraw/zinc/25/08/31/648250831.db2.gz JEBIOAFUTHSDBO-ZOBUZTSGSA-N 2 0 291.483 2.514 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925632308 648251181 /nfs/dbraw/zinc/25/11/81/648251181.db2.gz WQADNXDYOGHXEM-KBPBESRZSA-N 2 0 280.387 2.830 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925634176 648252708 /nfs/dbraw/zinc/25/27/08/648252708.db2.gz LQGLETLODMXGOH-OAHLLOKOSA-N 2 0 261.413 2.609 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925635181 648254002 /nfs/dbraw/zinc/25/40/02/648254002.db2.gz RZMGOUGTKUQZMP-MRXNPFEDSA-N 2 0 273.424 2.753 20 0 CFADRP CSCCCCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925637693 648255288 /nfs/dbraw/zinc/25/52/88/648255288.db2.gz PWQWMVWIVSXRHH-CYBMUJFWSA-N 2 0 256.459 2.784 20 0 CFADRP Cn1nc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc21 ZINC000925638326 648256264 /nfs/dbraw/zinc/25/62/64/648256264.db2.gz ATNCOAJXDTUSCP-STQMWFEESA-N 2 0 286.423 2.569 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000925640649 648257025 /nfs/dbraw/zinc/25/70/25/648257025.db2.gz TYSXPQWLZUPEAH-GDBMZVCRSA-N 2 0 258.409 2.649 20 0 CFADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO[C@H]1C1CC1 ZINC000925642472 648258202 /nfs/dbraw/zinc/25/82/02/648258202.db2.gz TVLHHWSQIRREEU-WBTNSWJXSA-N 2 0 280.456 2.687 20 0 CFADRP COCCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCCC1 ZINC000925645899 648259195 /nfs/dbraw/zinc/25/91/95/648259195.db2.gz SLXOBWTVRAXJCZ-VIQHNZTISA-N 2 0 292.467 2.559 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[C@@H]([NH3+])C1 ZINC000925657532 648262019 /nfs/dbraw/zinc/26/20/19/648262019.db2.gz TXVGLPGCSVNQLO-UTUOFQBUSA-N 2 0 260.372 2.917 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)C[C@@H]([NH3+])C1 ZINC000925653634 648263578 /nfs/dbraw/zinc/26/35/78/648263578.db2.gz IMRWQPVJTMEVSS-XHSDSOJGSA-N 2 0 282.472 2.671 20 0 CFADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925655101 648264331 /nfs/dbraw/zinc/26/43/31/648264331.db2.gz PSODZVNHEYGDBV-DLBZAZTESA-N 2 0 291.483 2.658 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925656643 648265157 /nfs/dbraw/zinc/26/51/57/648265157.db2.gz ZBAKKCJJAGZNPP-GMRIPVOYSA-N 2 0 270.420 2.966 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3ncccc3c2)C12CCC2 ZINC000925662918 648268790 /nfs/dbraw/zinc/26/87/90/648268790.db2.gz MFTKVRTWZCMFSC-JKSUJKDBSA-N 2 0 267.376 2.594 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925671091 648272333 /nfs/dbraw/zinc/27/23/33/648272333.db2.gz QLCFKFBHBRMBDM-OUAUKWLOSA-N 2 0 276.346 2.695 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C12CCC2 ZINC000925676718 648275201 /nfs/dbraw/zinc/27/52/01/648275201.db2.gz KUJGSZKRRDQDIS-YPMHNXCESA-N 2 0 299.340 2.502 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000925675648 648275721 /nfs/dbraw/zinc/27/57/21/648275721.db2.gz XVGUYONLSJIPPO-YNEHKIRRSA-N 2 0 256.459 2.625 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)OC ZINC000925681687 648278224 /nfs/dbraw/zinc/27/82/24/648278224.db2.gz WZSBBCJTJZUPMM-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCOCC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925684607 648278902 /nfs/dbraw/zinc/27/89/02/648278902.db2.gz IKGKPWUMHVWNDR-PMPSAXMXSA-N 2 0 280.456 2.559 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925686654 648279703 /nfs/dbraw/zinc/27/97/03/648279703.db2.gz VSVPJJHXAKSAOC-ABFRBSLYSA-N 2 0 288.435 2.794 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925686307 648279785 /nfs/dbraw/zinc/27/97/85/648279785.db2.gz SXFKLCXQWJKTLW-LXTVHRRPSA-N 2 0 268.445 2.830 20 0 CFADRP CCSC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925704220 648287016 /nfs/dbraw/zinc/28/70/16/648287016.db2.gz CSZABJGKINHGRT-NEPJUHHUSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC[N@@H+](C3CCCCC3)C1)[NH2+]2 ZINC000925705805 648288706 /nfs/dbraw/zinc/28/87/06/648288706.db2.gz IHIUMWSNYFLELH-SQDXWYPISA-N 2 0 291.483 2.512 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925705600 648288738 /nfs/dbraw/zinc/28/87/38/648288738.db2.gz KIHJYEFTUURRJS-ONNAEPBLSA-N 2 0 260.425 2.541 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3occc3c2)C12CCC2 ZINC000925711271 648291492 /nfs/dbraw/zinc/29/14/92/648291492.db2.gz ZDAYGPSPKOUTCK-LSDHHAIUSA-N 2 0 256.349 2.792 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000925712064 648291597 /nfs/dbraw/zinc/29/15/97/648291597.db2.gz ZVIPASMREDZXAS-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925711588 648291628 /nfs/dbraw/zinc/29/16/28/648291628.db2.gz NEQXUIASZNGJLO-AEAUEXCSSA-N 2 0 256.393 2.574 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCCc1ccco1 ZINC000925715016 648294116 /nfs/dbraw/zinc/29/41/16/648294116.db2.gz BGOFMOHTJOMAOL-KKNUOHPOSA-N 2 0 262.397 2.708 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925716192 648295329 /nfs/dbraw/zinc/29/53/29/648295329.db2.gz LROIAVORFJWRPC-ZJUUUORDSA-N 2 0 264.335 2.825 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925720311 648297150 /nfs/dbraw/zinc/29/71/50/648297150.db2.gz GGSJUBQODJLHST-GTDBDLECSA-N 2 0 262.441 2.789 20 0 CFADRP c1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925724658 648299074 /nfs/dbraw/zinc/29/90/74/648299074.db2.gz LLPIJWSCCUOOSO-XTZSBGGHSA-N 2 0 282.431 2.909 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@H]2CNc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925725249 648299102 /nfs/dbraw/zinc/29/91/02/648299102.db2.gz IEPOCCIMNZIODK-DHXZDTOLSA-N 2 0 299.462 2.952 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CC1(C)C ZINC000925734301 648301901 /nfs/dbraw/zinc/30/19/01/648301901.db2.gz QECMRQGZRPBDIP-MEDUHNTESA-N 2 0 261.413 2.936 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000925739134 648304879 /nfs/dbraw/zinc/30/48/79/648304879.db2.gz TUXOGEOAZIZYJR-DAXOMENPSA-N 2 0 276.424 2.904 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])s1 ZINC000925739996 648305410 /nfs/dbraw/zinc/30/54/10/648305410.db2.gz FWJCIXPUKACFEG-SECBINFHSA-N 2 0 255.431 2.792 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925740422 648305568 /nfs/dbraw/zinc/30/55/68/648305568.db2.gz HHFFBAKBYACJFD-GFCCVEGCSA-N 2 0 250.386 2.782 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC(C)(C)[NH3+])CCCO2 ZINC000925742687 648306787 /nfs/dbraw/zinc/30/67/87/648306787.db2.gz WURKTFRTVLELKG-CQSZACIVSA-N 2 0 278.396 2.626 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000925760040 648310990 /nfs/dbraw/zinc/31/09/90/648310990.db2.gz NNVGACCZZCOWOQ-UONOGXRCSA-N 2 0 268.445 2.782 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925759773 648311082 /nfs/dbraw/zinc/31/10/82/648311082.db2.gz LLHYVBHRKBAETM-CYBMUJFWSA-N 2 0 261.413 2.908 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)C[C@@H]([NH3+])C1 ZINC000925774290 648317419 /nfs/dbraw/zinc/31/74/19/648317419.db2.gz MCAHCVKOOKSAJU-QLFBSQMISA-N 2 0 280.456 2.831 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000925776365 648319176 /nfs/dbraw/zinc/31/91/76/648319176.db2.gz XMQHMCPBLWHNRG-CABCVRRESA-N 2 0 280.387 2.626 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000925776513 648319274 /nfs/dbraw/zinc/31/92/74/648319274.db2.gz KXZBJQSHHZGANR-KBPBESRZSA-N 2 0 272.383 2.790 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788712 648324385 /nfs/dbraw/zinc/32/43/85/648324385.db2.gz BMZVBABIOMQXAR-RDBSUJKOSA-N 2 0 262.397 2.510 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925791121 648324739 /nfs/dbraw/zinc/32/47/39/648324739.db2.gz NIGGIHWIWVGZDE-HACGYAERSA-N 2 0 274.408 2.518 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000925794295 648326057 /nfs/dbraw/zinc/32/60/57/648326057.db2.gz DDKIXFKTHZHQCV-GBIKHYSHSA-N 2 0 267.442 2.656 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000925794505 648326386 /nfs/dbraw/zinc/32/63/86/648326386.db2.gz FKCPCRDCWRLBQY-FMKPAKJESA-N 2 0 274.408 2.736 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(F)c1 ZINC000925796768 648326401 /nfs/dbraw/zinc/32/64/01/648326401.db2.gz DPDVVMZPSVQLCL-JHJVBQTASA-N 2 0 280.387 2.731 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796902 648326770 /nfs/dbraw/zinc/32/67/70/648326770.db2.gz FVNQHHNYMYBDBU-HZSPNIEDSA-N 2 0 292.423 2.600 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000925804830 648328894 /nfs/dbraw/zinc/32/88/94/648328894.db2.gz MXWMZFQCWCBSHS-MWTISTBLSA-N 2 0 272.436 2.971 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000925807036 648329881 /nfs/dbraw/zinc/32/98/81/648329881.db2.gz CSRUHLSBZNLBMX-MRXNPFEDSA-N 2 0 295.858 2.804 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925807451 648330192 /nfs/dbraw/zinc/33/01/92/648330192.db2.gz AYCXBZZYLLIQPV-LRDDRELGSA-N 2 0 285.391 2.548 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000925807116 648330222 /nfs/dbraw/zinc/33/02/22/648330222.db2.gz INEGAVYCKYRQQO-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925809375 648330694 /nfs/dbraw/zinc/33/06/94/648330694.db2.gz UJLVUYFKODQZGC-GOEBONIOSA-N 2 0 268.445 2.561 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000925811042 648330727 /nfs/dbraw/zinc/33/07/27/648330727.db2.gz BUEOHGURGZTCLA-OKZBNKHCSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809405 648331104 /nfs/dbraw/zinc/33/11/04/648331104.db2.gz UVECJKMMEXHWDY-QAPCUYQASA-N 2 0 293.499 2.619 20 0 CFADRP CC1(C)CC([NH2+]CCN2CCC([NH3+])CC2)CC(C)(C)C1 ZINC000925813432 648331799 /nfs/dbraw/zinc/33/17/99/648331799.db2.gz VRICCXCNSNWHEP-UHFFFAOYSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925820535 648333667 /nfs/dbraw/zinc/33/36/67/648333667.db2.gz DGBKYOGSOFNFSU-SCEXLNRQSA-N 2 0 262.441 2.931 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925824984 648334680 /nfs/dbraw/zinc/33/46/80/648334680.db2.gz XRIQKXFUHWIDIT-NALMEZQBSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925825539 648335082 /nfs/dbraw/zinc/33/50/82/648335082.db2.gz GESCOWQHLJADIQ-FMKPAKJESA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1CC=CC1 ZINC000925831247 648336467 /nfs/dbraw/zinc/33/64/67/648336467.db2.gz IKHDJZIETGEFDO-RHSMWYFYSA-N 2 0 258.409 2.891 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925835468 648338254 /nfs/dbraw/zinc/33/82/54/648338254.db2.gz QALNDOUOPFBSCR-DZGCQCFKSA-N 2 0 278.465 2.929 20 0 CFADRP c1ccc([C@H]2C[C@H](NC[C@]34CCC[C@H]3[NH2+]CC4)CC[NH2+]2)cc1 ZINC000925837267 648339119 /nfs/dbraw/zinc/33/91/19/648339119.db2.gz DKHTXTRUZIDPRX-NCXUSEDFSA-N 2 0 299.462 2.602 20 0 CFADRP FCC[C@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838913 648340185 /nfs/dbraw/zinc/34/01/85/648340185.db2.gz FKOJYVJAOBCGKD-KBUPBQIOSA-N 2 0 254.393 2.637 20 0 CFADRP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841278 648341342 /nfs/dbraw/zinc/34/13/42/648341342.db2.gz NTCBHEOVUGGAAV-FVQBIDKESA-N 2 0 260.381 2.779 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846036 648343478 /nfs/dbraw/zinc/34/34/78/648343478.db2.gz NKJBXQBQHITZPH-FVQBIDKESA-N 2 0 259.397 2.573 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848202 648344029 /nfs/dbraw/zinc/34/40/29/648344029.db2.gz CHTSXIKAXPTCNG-QGZVFWFLSA-N 2 0 289.467 2.721 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCS1 ZINC000925861862 648347952 /nfs/dbraw/zinc/34/79/52/648347952.db2.gz UPCVKNLSRYJDRS-KJWHEZOQSA-N 2 0 268.470 2.781 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000925872335 648352080 /nfs/dbraw/zinc/35/20/80/648352080.db2.gz SZBVPCNIICKFLM-DYVFJYSZSA-N 2 0 296.418 2.972 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000925877149 648353366 /nfs/dbraw/zinc/35/33/66/648353366.db2.gz MNQNTACRUYEECZ-LZWOXQAQSA-N 2 0 284.407 2.650 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000925879471 648353699 /nfs/dbraw/zinc/35/36/99/648353699.db2.gz FMOUUUXECXBFGM-XJKSGUPXSA-N 2 0 258.409 2.651 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925881613 648354379 /nfs/dbraw/zinc/35/43/79/648354379.db2.gz JWHCTHSZXOIJAB-QSPRXWTASA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nc2c(s1)CCCC2 ZINC000925882075 648354500 /nfs/dbraw/zinc/35/45/00/648354500.db2.gz JGQIISJEFCXGLC-TUAOUCFPSA-N 2 0 279.453 2.800 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925882332 648354686 /nfs/dbraw/zinc/35/46/86/648354686.db2.gz KZTMQRWLWBHVIJ-BNOWGMLFSA-N 2 0 252.427 2.786 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925883060 648354833 /nfs/dbraw/zinc/35/48/33/648354833.db2.gz SWDZEBKRODIHNZ-CBBWQLFWSA-N 2 0 268.445 2.543 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118659 648409088 /nfs/dbraw/zinc/40/90/88/648409088.db2.gz APALRBKMZTWKGX-JRBZFYFNSA-N 2 0 280.456 2.652 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926203312 648433298 /nfs/dbraw/zinc/43/32/98/648433298.db2.gz WQGGNPCGLKDWIO-AQVLZCAOSA-N 2 0 276.424 2.726 20 0 CFADRP CC(C)(C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000926273824 648453265 /nfs/dbraw/zinc/45/32/65/648453265.db2.gz BHJHEEZTRVBLHL-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP CC1(C)CC2(CC([NH2+]CC3CC[NH+](C4CC4)CC3)C2)CO1 ZINC000926307620 648458834 /nfs/dbraw/zinc/45/88/34/648458834.db2.gz KNNJCGQSCWGGSJ-UHFFFAOYSA-N 2 0 292.467 2.798 20 0 CFADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308747 648459825 /nfs/dbraw/zinc/45/98/25/648459825.db2.gz PHPBCYRLXUWYCY-FUHWJXTLSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000926322170 648462739 /nfs/dbraw/zinc/46/27/39/648462739.db2.gz DRNVEUSIQHQWRL-ZBFHGGJFSA-N 2 0 275.440 2.723 20 0 CFADRP C1CC1[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCOC1 ZINC000926335660 648465302 /nfs/dbraw/zinc/46/53/02/648465302.db2.gz BGUXJHAGHKEEOE-BFWZDYSYSA-N 2 0 292.467 2.798 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000926380117 648475771 /nfs/dbraw/zinc/47/57/71/648475771.db2.gz LMQBZQMHOMGEES-CQSZACIVSA-N 2 0 286.423 2.641 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C(C)(C)O ZINC000926491651 648508909 /nfs/dbraw/zinc/50/89/09/648508909.db2.gz YTLSDKAENZUAJG-CZUORRHYSA-N 2 0 278.440 2.948 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CC1 ZINC000926559488 648533951 /nfs/dbraw/zinc/53/39/51/648533951.db2.gz OVMTYTFAMGCUMI-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926664017 648566242 /nfs/dbraw/zinc/56/62/42/648566242.db2.gz ORUIQLAUEJJUMR-AWEZNQCLSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000926684764 648575653 /nfs/dbraw/zinc/57/56/53/648575653.db2.gz WDUWMUNULHHUKX-QGZVFWFLSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926697815 648580281 /nfs/dbraw/zinc/58/02/81/648580281.db2.gz OJBRPYAMKAVZOS-WFASDCNBSA-N 2 0 298.377 2.823 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1(Br)CC1 ZINC000926754982 648603428 /nfs/dbraw/zinc/60/34/28/648603428.db2.gz VOQWJYPTUIDRAF-VXGBXAGGSA-N 2 0 289.261 2.624 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000926791473 648618119 /nfs/dbraw/zinc/61/81/19/648618119.db2.gz WIXOXLWYYQRRIR-LVYZTWJOSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccnn1C ZINC000926813847 648626525 /nfs/dbraw/zinc/62/65/25/648626525.db2.gz VDUIMDRPWUBRBY-UONOGXRCSA-N 2 0 286.423 2.894 20 0 CFADRP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926844413 648633495 /nfs/dbraw/zinc/63/34/95/648633495.db2.gz LDYJXHIHRMOLHH-KOMQPUFPSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]1C ZINC000926889404 648647406 /nfs/dbraw/zinc/64/74/06/648647406.db2.gz PVHINJWWRIOJID-FYKOZOLNSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926917098 648656699 /nfs/dbraw/zinc/65/66/99/648656699.db2.gz SHTDYZRXVIAVCV-FVCCEPFGSA-N 2 0 294.361 2.559 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927037413 648689644 /nfs/dbraw/zinc/68/96/44/648689644.db2.gz JQQHUZWLKAFZQW-ZLZJIPBDSA-N 3 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@]1(C)CCCO1 ZINC000927038377 648689664 /nfs/dbraw/zinc/68/96/64/648689664.db2.gz QBEKUIDYEJVXQE-VXLLPVPCSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H](CCCCO)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038717 648690347 /nfs/dbraw/zinc/69/03/47/648690347.db2.gz PULOCDKMGVKETQ-QQFBHYJXSA-N 2 0 268.445 2.534 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000927038762 648690592 /nfs/dbraw/zinc/69/05/92/648690592.db2.gz QHHKNPWNOYIELY-FHERZECASA-N 2 0 266.429 2.552 20 0 CFADRP CC[C@@H](C)[C@@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929507262 649062702 /nfs/dbraw/zinc/06/27/02/649062702.db2.gz SQWKRUMWRGMRHD-ZBFHGGJFSA-N 2 0 298.471 2.626 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929638230 649083840 /nfs/dbraw/zinc/08/38/40/649083840.db2.gz VHGGQXNMJYWHED-NUEKZKHPSA-N 2 0 294.389 2.919 20 0 CFADRP COC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000929687533 649096456 /nfs/dbraw/zinc/09/64/56/649096456.db2.gz MNPYYUMRSQADOF-IAGOWNOFSA-N 2 0 282.472 2.855 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000929700704 649100892 /nfs/dbraw/zinc/10/08/92/649100892.db2.gz GUJLQTOXZVUDKO-OAHLLOKOSA-N 2 0 276.424 2.777 20 0 CFADRP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000929718013 649105498 /nfs/dbraw/zinc/10/54/98/649105498.db2.gz CKPGZKBHNONRKF-DLBZAZTESA-N 2 0 282.472 2.713 20 0 CFADRP Cc1nc(C)c(C[NH2+]C2(Cc3ccccc3)CCOCC2)[nH]1 ZINC000930660160 649300131 /nfs/dbraw/zinc/30/01/31/649300131.db2.gz HQIXWTVHGQPDMD-UHFFFAOYSA-N 2 0 299.418 2.908 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000931354123 649414119 /nfs/dbraw/zinc/41/41/19/649414119.db2.gz KCZXBWHFPOSXDD-CQSZACIVSA-N 2 0 282.472 2.996 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@H]2C1 ZINC000931432148 649425326 /nfs/dbraw/zinc/42/53/26/649425326.db2.gz JGIJUEMNZWUJNL-MNOVXSKESA-N 2 0 270.829 2.785 20 0 CFADRP Cc1ccccc1OCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931433856 649426720 /nfs/dbraw/zinc/42/67/20/649426720.db2.gz JRDUTFDWTRZKFG-SJORKVTESA-N 2 0 288.435 2.647 20 0 CFADRP CCc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931435688 649426930 /nfs/dbraw/zinc/42/69/30/649426930.db2.gz CKSADMXEHYQVJV-DLBZAZTESA-N 2 0 258.409 2.633 20 0 CFADRP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1C ZINC000931439749 649427391 /nfs/dbraw/zinc/42/73/91/649427391.db2.gz YWPOFNGNMUPCKP-SJORKVTESA-N 2 0 258.409 2.687 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931438434 649427721 /nfs/dbraw/zinc/42/77/21/649427721.db2.gz KMQSTORURMAGPX-LVQVYYBASA-N 2 0 250.430 2.696 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440713 649427781 /nfs/dbraw/zinc/42/77/81/649427781.db2.gz XLCNBOMLOATXTK-DLBZAZTESA-N 2 0 288.435 2.511 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441236 649428036 /nfs/dbraw/zinc/42/80/36/649428036.db2.gz DWTJLOZLJJQUKE-LVQVYYBASA-N 2 0 250.430 2.696 20 0 CFADRP C[C@H]1CCC[C@H](CC[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931483625 649438876 /nfs/dbraw/zinc/43/88/76/649438876.db2.gz JRMRQILBLXLHDB-JKSUJKDBSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1cc(C)cc(OCCN2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931512392 649444568 /nfs/dbraw/zinc/44/45/68/649444568.db2.gz NQXRXRSGRLRHGY-UHFFFAOYSA-N 2 0 297.402 2.718 20 0 CFADRP Nc1cc[nH+]c2c1CN(CCSCc1ccccc1)CC2 ZINC000931517437 649445869 /nfs/dbraw/zinc/44/58/69/649445869.db2.gz IIOCADNOXZSJCI-UHFFFAOYSA-N 2 0 299.443 2.955 20 0 CFADRP Cc1cccc(CCC[N@@H+]2CCc3nccc(N)c3C2)c1 ZINC000931518166 649446679 /nfs/dbraw/zinc/44/66/79/649446679.db2.gz INYFIGCQLQPEBT-UHFFFAOYSA-N 2 0 281.403 2.963 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(Cc3ccccc3CF)CC[C@H]21 ZINC000931547006 649451297 /nfs/dbraw/zinc/45/12/97/649451297.db2.gz OPJZVDVKXUSCGL-JKSUJKDBSA-N 2 0 262.372 2.682 20 0 CFADRP COCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000931719120 649478489 /nfs/dbraw/zinc/47/84/89/649478489.db2.gz KHGLRJMCADWVEH-SJORKVTESA-N 2 0 274.408 2.502 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCOc1ccccc1 ZINC000931725420 649480113 /nfs/dbraw/zinc/48/01/13/649480113.db2.gz ZGIJTXRGHKNMTR-JKSUJKDBSA-N 2 0 274.408 2.624 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H]1CCc2ccc(F)cc21 ZINC000931724649 649480200 /nfs/dbraw/zinc/48/02/00/649480200.db2.gz LMXYLQGZTWRZRV-UXLLHSPISA-N 2 0 274.383 2.982 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000931751980 649483809 /nfs/dbraw/zinc/48/38/09/649483809.db2.gz GUTOIJAXCCLPLV-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CC2CC(C)C2)CC1 ZINC000931753370 649484440 /nfs/dbraw/zinc/48/44/40/649484440.db2.gz XWXUWIFCTHJWKE-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933078362 649670480 /nfs/dbraw/zinc/67/04/80/649670480.db2.gz MOTPVHSGQVLJTI-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP CCC[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000934180949 649757637 /nfs/dbraw/zinc/75/76/37/649757637.db2.gz YPTJVYMXKZLDAZ-SJORKVTESA-N 2 0 278.440 2.604 20 0 CFADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305761367 651076252 /nfs/dbraw/zinc/07/62/52/651076252.db2.gz DVOSWARIUSQOMM-CZUORRHYSA-N 2 0 292.423 2.556 20 0 CFADRP CC[NH+](CC)C1CCN(c2[nH+]ccc3c2ccn3C)CC1 ZINC001165052627 722001688 /nfs/dbraw/zinc/00/16/88/722001688.db2.gz ARCIERSZVRTTJI-UHFFFAOYSA-N 2 0 286.423 2.884 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000723691719 770650937 /nfs/dbraw/zinc/65/09/37/770650937.db2.gz SCOOUJYHEQHSIH-GFCCVEGCSA-N 2 0 254.324 2.795 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001235947976 778622748 /nfs/dbraw/zinc/62/27/48/778622748.db2.gz IUMSPKXNXXHJAA-VXGBXAGGSA-N 2 0 264.438 2.872 20 0 CFADRP Fc1ccc2c(c1)C[N@@H+](CC1CC3(C1)CC[NH2+]CC3)CC2 ZINC001235904633 778602629 /nfs/dbraw/zinc/60/26/29/778602629.db2.gz XXUAHYLEHSKGPS-UHFFFAOYSA-N 2 0 288.410 2.964 20 0 CFADRP CCn1ccc2c1cccc2C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925055 778611701 /nfs/dbraw/zinc/61/17/01/778611701.db2.gz HOCYGPBLPSRVEF-HNNXBMFYSA-N 2 0 271.408 2.974 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H]1CCCO1 ZINC001207887682 769827113 /nfs/dbraw/zinc/82/71/13/769827113.db2.gz PKZGYFGRDFQMHZ-JYJNAYRXSA-N 2 0 266.429 2.504 20 0 CFADRP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001208166320 769888708 /nfs/dbraw/zinc/88/87/08/769888708.db2.gz AQSOIKGIUPIGSB-NXOAAHMSSA-N 2 0 262.441 2.862 20 0 CFADRP FC1CC[NH+](C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001208685016 769924631 /nfs/dbraw/zinc/92/46/31/769924631.db2.gz PONRFCRNUMCCNF-UHFFFAOYSA-N 2 0 254.393 2.685 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@H]2C1 ZINC001208743753 769935775 /nfs/dbraw/zinc/93/57/75/769935775.db2.gz YMPOLKNRRODYJW-HUUCEWRRSA-N 2 0 278.827 2.766 20 0 CFADRP COCCCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209218855 770020456 /nfs/dbraw/zinc/02/04/56/770020456.db2.gz QUAOPPVIQAPOKX-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP [NH3+]Cc1cnc2c(ccn2-c2ccc(C3([NH3+])CCC3)cc2)c1 ZINC001167314530 770275208 /nfs/dbraw/zinc/27/52/08/770275208.db2.gz WJPFWJAMLZIOPM-UHFFFAOYSA-N 2 0 292.386 2.822 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723616184 770618381 /nfs/dbraw/zinc/61/83/81/770618381.db2.gz UPYVVCPFCPOJIG-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723616185 770618604 /nfs/dbraw/zinc/61/86/04/770618604.db2.gz UPYVVCPFCPOJIG-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000403296313 770648302 /nfs/dbraw/zinc/64/83/02/770648302.db2.gz PCPQLRCIPLWVRV-GXTWGEPZSA-N 2 0 268.351 2.706 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723690599 770651060 /nfs/dbraw/zinc/65/10/60/770651060.db2.gz TVQVYDHWDPTYNR-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000723901461 770709353 /nfs/dbraw/zinc/70/93/53/770709353.db2.gz PFUMAQUHYBBGCC-GHMZBOCLSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@H]1CC[NH3+] ZINC000723921623 770715332 /nfs/dbraw/zinc/71/53/32/770715332.db2.gz INCOZQIMMHRRKU-NXEZZACHSA-N 2 0 272.314 2.521 20 0 CFADRP c1ccc(C2CC([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)cc1 ZINC000690728035 770789371 /nfs/dbraw/zinc/78/93/71/770789371.db2.gz XUVAPIIVTZNLEJ-LHJWYPMJSA-N 2 0 268.404 2.519 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000690738864 770883081 /nfs/dbraw/zinc/88/30/81/770883081.db2.gz IJYQHHUHYWDNID-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP CC(C)(C)c1csc(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000690739627 770904428 /nfs/dbraw/zinc/90/44/28/770904428.db2.gz KMSQLJYKMLLZGO-NSHDSACASA-N 2 0 267.442 2.611 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000721550580 775151076 /nfs/dbraw/zinc/15/10/76/775151076.db2.gz PMAVKGZGJYGHBV-YCPHGPKFSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721565579 775236824 /nfs/dbraw/zinc/23/68/24/775236824.db2.gz YVTHXNZSESQMLY-UONOGXRCSA-N 2 0 270.461 2.758 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721565575 775237220 /nfs/dbraw/zinc/23/72/20/775237220.db2.gz YVTHXNZSESQMLY-KBPBESRZSA-N 2 0 270.461 2.758 20 0 CFADRP CSCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000725114112 775275234 /nfs/dbraw/zinc/27/52/34/775275234.db2.gz ZBAAWZDVQMWYMI-INIZCTEOSA-N 2 0 278.465 2.981 20 0 CFADRP C[N@@H+]1CC[C@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832771 775285091 /nfs/dbraw/zinc/28/50/91/775285091.db2.gz XCKRHJAHPXGPEO-ROUUACIJSA-N 2 0 288.435 2.619 20 0 CFADRP CC(C)(C)[NH+]1CC(OCCCCC2CC[NH2+]CC2)C1 ZINC001217829631 775305746 /nfs/dbraw/zinc/30/57/46/775305746.db2.gz OVRPEVNLWZBHPF-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCOC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001224927078 775308007 /nfs/dbraw/zinc/30/80/07/775308007.db2.gz DCEIRGTWXKROFH-UHFFFAOYSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+]1CCC(Oc2ccc(C[NH+](C)C)cc2)CC1 ZINC001225330833 775414200 /nfs/dbraw/zinc/41/42/00/775414200.db2.gz QXDNJRKBQHJJLS-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226651748 775903153 /nfs/dbraw/zinc/90/31/53/775903153.db2.gz BANYMYWSCYOUQM-DZGCQCFKSA-N 2 0 298.390 2.663 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154922 776025106 /nfs/dbraw/zinc/02/51/06/776025106.db2.gz SUEPJRPBFOBDJM-SFHVURJKSA-N 2 0 295.515 2.820 20 0 CFADRP C[C@H]([NH3+])c1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001167753498 776085948 /nfs/dbraw/zinc/08/59/48/776085948.db2.gz JFFFTNHFYBFBNK-KBPBESRZSA-N 2 0 276.428 2.778 20 0 CFADRP C[C@H]([NH3+])c1ccc(NCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC001167753505 776086028 /nfs/dbraw/zinc/08/60/28/776086028.db2.gz JFFFTNHFYBFBNK-KGLIPLIRSA-N 2 0 276.428 2.778 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925700784 776168573 /nfs/dbraw/zinc/16/85/73/776168573.db2.gz WIJYQBLKLVIERI-XHSDSOJGSA-N 2 0 271.408 2.506 20 0 CFADRP C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CC[C@H]1C[NH3+] ZINC000686664374 776237756 /nfs/dbraw/zinc/23/77/56/776237756.db2.gz RQDGYJATESDXCG-CABCVRRESA-N 2 0 260.425 2.881 20 0 CFADRP CCCOC1C[NH+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167823860 776541012 /nfs/dbraw/zinc/54/10/12/776541012.db2.gz ADNFKHPBQGSADY-AWEZNQCLSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCC(=O)O2)CC1 ZINC001167825840 776546692 /nfs/dbraw/zinc/54/66/92/776546692.db2.gz KZTVRAXWYOMGEZ-HNNXBMFYSA-N 2 0 296.455 2.669 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC001167826577 776547968 /nfs/dbraw/zinc/54/79/68/776547968.db2.gz QOQNWSWNDUTCRC-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722387431 776569255 /nfs/dbraw/zinc/56/92/55/776569255.db2.gz OYOITPDSIXYNLD-WCQYABFASA-N 2 0 267.442 2.873 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001167833602 776570362 /nfs/dbraw/zinc/57/03/62/776570362.db2.gz CXBQSHKSVLEOHH-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](CCC(=O)OC)C1 ZINC001167833557 776570798 /nfs/dbraw/zinc/57/07/98/776570798.db2.gz CHURVXXOWJWGTG-JKSUJKDBSA-N 2 0 298.471 2.772 20 0 CFADRP CCN(CC)[C@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167837179 776586521 /nfs/dbraw/zinc/58/65/21/776586521.db2.gz JAHOIGHYUKOKFD-IRXDYDNUSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOC[C@@H]1C(C)C ZINC001167838225 776588952 /nfs/dbraw/zinc/58/89/52/776588952.db2.gz SBDCFSHPNZGKMQ-JKSUJKDBSA-N 2 0 270.461 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001167837447 776589414 /nfs/dbraw/zinc/58/94/14/776589414.db2.gz KNTYJZCZQLFULV-BBWFWOEESA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC001167838309 776589478 /nfs/dbraw/zinc/58/94/78/776589478.db2.gz STIWUMRESBEIGC-JKSUJKDBSA-N 2 0 270.461 2.591 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001167839485 776590876 /nfs/dbraw/zinc/59/08/76/776590876.db2.gz YGGIPUWHKWEELM-CVEARBPZSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CC([NH+]2CCCCC2)C1 ZINC001167838695 776591645 /nfs/dbraw/zinc/59/16/45/776591645.db2.gz WAZUYJHHEAPTMC-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001167841417 776606721 /nfs/dbraw/zinc/60/67/21/776606721.db2.gz MSVHFGZLRRMGFA-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001167841739 776608078 /nfs/dbraw/zinc/60/80/78/776608078.db2.gz PYRHUIGAVUVQHP-MRXNPFEDSA-N 3 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001167841636 776608124 /nfs/dbraw/zinc/60/81/24/776608124.db2.gz NJFQIRMYMFIVMV-RDJZCZTQSA-N 2 0 281.488 2.665 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001167842468 776612513 /nfs/dbraw/zinc/61/25/13/776612513.db2.gz XWFAPXNHYKHIPJ-IRXDYDNUSA-N 3 0 281.488 2.525 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C12CCC2 ZINC000453105881 776642641 /nfs/dbraw/zinc/64/26/41/776642641.db2.gz ICKJLLZNLHRLIL-BZUAXINKSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)Cc1ccc(-n2c(N)[nH+]c3ccccc32)cc1 ZINC000709708391 776648810 /nfs/dbraw/zinc/64/88/10/776648810.db2.gz YRWXYSMUNJUUGM-UHFFFAOYSA-N 2 0 266.348 2.669 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000692914205 776668933 /nfs/dbraw/zinc/66/89/33/776668933.db2.gz ZGABYQMCAIGNSA-OAHLLOKOSA-N 2 0 293.842 2.947 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C[C@@](C)(C[NH3+])C1 ZINC001167905975 776794307 /nfs/dbraw/zinc/79/43/07/776794307.db2.gz QEGQZKZBBHTQOL-SQCNAZHOSA-N 2 0 250.430 2.918 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)nc1 ZINC001167915351 776852927 /nfs/dbraw/zinc/85/29/27/776852927.db2.gz BEFQUKLPIFRREI-ALXJQNPVSA-N 2 0 285.435 2.682 20 0 CFADRP C[C@H](c1cccc(O[C@@H](C)C[NH+](C)C)c1)[NH+](C)C ZINC001229628434 776859908 /nfs/dbraw/zinc/85/99/08/776859908.db2.gz UUDFPRJACURCLC-QWHCGFSZSA-N 2 0 250.386 2.638 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Oc1ccc(CC[NH+](C)C)cc1 ZINC001229656894 776867383 /nfs/dbraw/zinc/86/73/83/776867383.db2.gz BTEPRBMCFFOJJF-OAHLLOKOSA-N 2 0 278.440 2.900 20 0 CFADRP C[NH+](C)Cc1ccccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229702959 776876432 /nfs/dbraw/zinc/87/64/32/776876432.db2.gz WYBNQQHRLSBSOO-ALXJQNPVSA-N 2 0 288.435 2.857 20 0 CFADRP C[NH+]1CCC(C2CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167940233 776989079 /nfs/dbraw/zinc/98/90/79/776989079.db2.gz PUTYCUNMQMAPCG-BJWYYQGGSA-N 2 0 262.441 2.839 20 0 CFADRP [NH3+]C[C@H]1Cc2ccccc2CN1C1CCC(F)(F)CC1 ZINC000721580061 777110222 /nfs/dbraw/zinc/11/02/22/777110222.db2.gz PVXFIYGFAXZGFB-OAHLLOKOSA-N 2 0 280.362 2.950 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CCC2 ZINC001277478704 777114671 /nfs/dbraw/zinc/11/46/71/777114671.db2.gz LPCXEQLLARWOJI-ALOPSCKCSA-N 2 0 270.420 2.890 20 0 CFADRP FC[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711440285 777203929 /nfs/dbraw/zinc/20/39/29/777203929.db2.gz DGSWYBBTQGCJCU-WIGRTHMWSA-N 2 0 254.393 2.589 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)s1 ZINC001231503105 777241753 /nfs/dbraw/zinc/24/17/53/777241753.db2.gz OAQHMXBHCGKVJL-UHFFFAOYSA-N 2 0 264.438 2.838 20 0 CFADRP CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167957985 777270328 /nfs/dbraw/zinc/27/03/28/777270328.db2.gz AAODZQYYXUDVSQ-MQVJKMGUSA-N 2 0 278.440 2.551 20 0 CFADRP COc1cc(F)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001231604032 777276997 /nfs/dbraw/zinc/27/69/97/777276997.db2.gz UUGWXKDCVCZMEA-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP F[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167961715 777324177 /nfs/dbraw/zinc/32/41/77/777324177.db2.gz NTSQJWSGJRSWTE-YZDRTPDPSA-N 2 0 266.404 2.872 20 0 CFADRP CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961923 777326527 /nfs/dbraw/zinc/32/65/27/777326527.db2.gz QLZXMRFTBLMBRT-GOOCMWNKSA-N 2 0 268.470 2.735 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCC3(C2)OCCO3)CC1 ZINC000712826007 777390217 /nfs/dbraw/zinc/39/02/17/777390217.db2.gz WPFCGEKLXJBLKU-HNNXBMFYSA-N 2 0 296.455 2.525 20 0 CFADRP COc1ccnc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001231967625 777394632 /nfs/dbraw/zinc/39/46/32/777394632.db2.gz DUNJHKUHPSYRNR-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP Cc1cc(F)ncc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001231984943 777401556 /nfs/dbraw/zinc/40/15/56/777401556.db2.gz KRYNVKNXXAXBAD-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP c1c(C[NH+]2CCC3(CCOC3)CC2)[nH]c2cc[nH+]cc12 ZINC001232011225 777410804 /nfs/dbraw/zinc/41/08/04/777410804.db2.gz JLMMKGVYKFXCEV-UHFFFAOYSA-N 2 0 271.364 2.565 20 0 CFADRP c1c(C[N@H+]2CC[C@@H](COCC3CC3)C2)[nH]c2cc[nH+]cc12 ZINC001232015105 777411985 /nfs/dbraw/zinc/41/19/85/777411985.db2.gz AYBALQZSCFBRCY-CQSZACIVSA-N 2 0 285.391 2.811 20 0 CFADRP CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232013649 777412445 /nfs/dbraw/zinc/41/24/45/777412445.db2.gz BSSQVEODTKDWAL-PVUWLOKVSA-N 2 0 285.391 2.810 20 0 CFADRP FC1(F)C[C@@]12CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232014869 777412613 /nfs/dbraw/zinc/41/26/13/777412613.db2.gz VWDRDBCQCZRJDC-CYBMUJFWSA-N 2 0 263.291 2.794 20 0 CFADRP CCCO[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013886 777412682 /nfs/dbraw/zinc/41/26/82/777412682.db2.gz HOJCYYXWNJZRQV-AWEZNQCLSA-N 2 0 259.353 2.564 20 0 CFADRP c1c(C[N@@H+]2CCC3(C2)CCOCC3)[nH]c2cc[nH+]cc12 ZINC001232014908 777412769 /nfs/dbraw/zinc/41/27/69/777412769.db2.gz XKFIWXLYLCAJQX-UHFFFAOYSA-N 2 0 271.364 2.565 20 0 CFADRP c1c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232017496 777414707 /nfs/dbraw/zinc/41/47/07/777414707.db2.gz SRACCCCUPAIBHR-HNNXBMFYSA-N 2 0 294.358 2.611 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144330 777450100 /nfs/dbraw/zinc/45/01/00/777450100.db2.gz IGVCDDNIEZARJI-GFCCVEGCSA-N 2 0 250.361 2.729 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccnc4c(F)cccc34)C[C@@H]2C1 ZINC001232205949 777470925 /nfs/dbraw/zinc/47/09/25/777470925.db2.gz KCYCGFHQZIGPBK-HIFRSBDPSA-N 2 0 299.393 2.757 20 0 CFADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001167990536 777520774 /nfs/dbraw/zinc/52/07/74/777520774.db2.gz VCUFNSUNIVMLQM-CQSZACIVSA-N 2 0 299.353 2.677 20 0 CFADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccnc1Cl)CC2 ZINC001277659681 777546002 /nfs/dbraw/zinc/54/60/02/777546002.db2.gz COUOHBLCEIYCAL-UHFFFAOYSA-N 2 0 297.805 2.792 20 0 CFADRP c1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)cc[nH+]1 ZINC001277693726 777628300 /nfs/dbraw/zinc/62/83/00/777628300.db2.gz KKEKDZQLCZZAOK-HOTGVXAUSA-N 2 0 257.381 2.677 20 0 CFADRP CNc1ccccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001232671315 777634904 /nfs/dbraw/zinc/63/49/04/777634904.db2.gz KDEDHXDGMAPHHV-UHFFFAOYSA-N 2 0 261.413 2.502 20 0 CFADRP C[C@H]1CC([NH2+][C@H]2C[C@H](O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015217 777647367 /nfs/dbraw/zinc/64/73/67/777647367.db2.gz PPERTPQXSVVHDZ-USJZOSNVSA-N 2 0 288.435 2.541 20 0 CFADRP C[C@H](O)CC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029597 777727116 /nfs/dbraw/zinc/72/71/16/777727116.db2.gz TYRQYUZUCSTFGO-JYJNAYRXSA-N 2 0 290.451 2.789 20 0 CFADRP Cc1cnsc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001233322137 777884200 /nfs/dbraw/zinc/88/42/00/777884200.db2.gz TXIBVMFNCKZAQH-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CSc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)s1 ZINC001142029272 777904736 /nfs/dbraw/zinc/90/47/36/777904736.db2.gz UOAFBMBOTICORX-UHFFFAOYSA-N 2 0 282.478 2.998 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)sc1C ZINC001233666719 778031516 /nfs/dbraw/zinc/03/15/16/778031516.db2.gz XMSLFEDSSRAWKQ-KGLIPLIRSA-N 2 0 264.438 2.748 20 0 CFADRP CC[C@H](C)[N@@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001277806257 778069889 /nfs/dbraw/zinc/06/98/89/778069889.db2.gz BZVJOUDDYFLHDM-RDJZCZTQSA-N 2 0 290.455 2.886 20 0 CFADRP CC[C@@H](C)[NH+]1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001277806772 778072961 /nfs/dbraw/zinc/07/29/61/778072961.db2.gz HYZXJQBEWOJQGF-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CCO1 ZINC001168129495 778121948 /nfs/dbraw/zinc/12/19/48/778121948.db2.gz YLAXXSVKVSQSCY-RHSMWYFYSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC001168143686 778154131 /nfs/dbraw/zinc/15/41/31/778154131.db2.gz QMHQHGHSDHAOBG-YOEHRIQHSA-N 2 0 285.391 2.872 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1c1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001168186754 778229594 /nfs/dbraw/zinc/22/95/94/778229594.db2.gz FOLRZLCUZYUBBZ-OAHLLOKOSA-N 2 0 288.439 2.792 20 0 CFADRP CCOCC[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277858038 778231408 /nfs/dbraw/zinc/23/14/08/778231408.db2.gz LQOXGJIIRAEGIQ-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CC1CCC([NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001168203142 778250629 /nfs/dbraw/zinc/25/06/29/778250629.db2.gz DXMAUSLOVXNNIO-JXQTWKCFSA-N 2 0 299.459 2.744 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCCCCC[NH3+])C2 ZINC001168242092 778268236 /nfs/dbraw/zinc/26/82/36/778268236.db2.gz VSEGTDQQXMOCOE-INIZCTEOSA-N 2 0 276.424 2.661 20 0 CFADRP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978678 778345766 /nfs/dbraw/zinc/34/57/66/778345766.db2.gz BSCPRDMDMZZCJY-IYBDPMFKSA-N 2 0 288.435 2.742 20 0 CFADRP Cc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001234992946 778346298 /nfs/dbraw/zinc/34/62/98/778346298.db2.gz NJLRSFRFBSUILC-MRXNPFEDSA-N 2 0 262.372 2.710 20 0 CFADRP Cc1ccc(C)c(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235007342 778352430 /nfs/dbraw/zinc/35/24/30/778352430.db2.gz LXBMVEVYIWUMKY-SFHVURJKSA-N 2 0 288.435 2.505 20 0 CFADRP c1ccc(CCCCC[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023980 778357705 /nfs/dbraw/zinc/35/77/05/778357705.db2.gz INVFUGONLFUGAJ-UHFFFAOYSA-N 2 0 258.409 2.695 20 0 CFADRP CCCCOc1ccc(CN2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027174 778359128 /nfs/dbraw/zinc/35/91/28/778359128.db2.gz WBJAFHREYWMNKV-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235039980 778363295 /nfs/dbraw/zinc/36/32/95/778363295.db2.gz JXEVFLXDRSWPAK-GOSISDBHSA-N 2 0 293.499 2.907 20 0 CFADRP CNc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1 ZINC001235039074 778363877 /nfs/dbraw/zinc/36/38/77/778363877.db2.gz MVRLSEQZDQOTMJ-KRWDZBQOSA-N 2 0 273.424 2.836 20 0 CFADRP CCOc1ccc(CN2CCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC001235112030 778384446 /nfs/dbraw/zinc/38/44/46/778384446.db2.gz UBWGQZSBIZJNAC-KRWDZBQOSA-N 2 0 274.408 2.722 20 0 CFADRP COc1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)ccc1C ZINC001235133031 778395031 /nfs/dbraw/zinc/39/50/31/778395031.db2.gz OFTCZCXLWYFQOE-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP Oc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235154414 778398624 /nfs/dbraw/zinc/39/86/24/778398624.db2.gz LMSDCMVEVUQAEY-QGZVFWFLSA-N 2 0 292.398 2.885 20 0 CFADRP c1ccc(CCCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193576 778409161 /nfs/dbraw/zinc/40/91/61/778409161.db2.gz PIIJQXHXIUDJAD-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc(F)c(F)c2)CC1 ZINC001168295030 778411086 /nfs/dbraw/zinc/41/10/86/778411086.db2.gz PYGNWHAOJLSAMI-UHFFFAOYSA-N 2 0 281.350 2.753 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nc1 ZINC001168298197 778412951 /nfs/dbraw/zinc/41/29/51/778412951.db2.gz DOWVQTGSFIPXBU-WLYUNCDWSA-N 2 0 261.413 2.913 20 0 CFADRP Cc1ccc(C(=O)C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168300477 778416125 /nfs/dbraw/zinc/41/61/25/778416125.db2.gz WJFZVCQUIJSAEK-UHFFFAOYSA-N 2 0 274.408 2.640 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@H]21 ZINC001235211577 778416458 /nfs/dbraw/zinc/41/64/58/778416458.db2.gz XZRKPNHSQHLMFJ-FOLVSLTJSA-N 2 0 270.401 2.804 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2ccc(F)cc2F)CC1 ZINC001168303726 778417757 /nfs/dbraw/zinc/41/77/57/778417757.db2.gz APNSAUSUNCWZHO-UHFFFAOYSA-N 2 0 282.378 2.970 20 0 CFADRP C[NH+](C)C1CCC(n2cc3ccc(C[NH3+])cc3n2)CC1 ZINC001168304077 778418663 /nfs/dbraw/zinc/41/86/63/778418663.db2.gz OHSRLCUOWYYKGZ-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001168304376 778418708 /nfs/dbraw/zinc/41/87/08/778418708.db2.gz ZCZZROATAVCATK-UHFFFAOYSA-N 2 0 273.380 2.790 20 0 CFADRP c1cn2ccc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)cc2n1 ZINC001235226205 778421380 /nfs/dbraw/zinc/42/13/80/778421380.db2.gz AJCVFGMZIOXFIF-QGZVFWFLSA-N 2 0 298.434 2.688 20 0 CFADRP Fc1cncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235227301 778422130 /nfs/dbraw/zinc/42/21/30/778422130.db2.gz GCGNGOXONAASKI-INIZCTEOSA-N 2 0 277.387 2.575 20 0 CFADRP c1nc2c(cccc2C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235226814 778422211 /nfs/dbraw/zinc/42/22/11/778422211.db2.gz FQEVETAKXFRJPS-MRXNPFEDSA-N 2 0 298.434 2.917 20 0 CFADRP Nc1cccc(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235231516 778423088 /nfs/dbraw/zinc/42/30/88/778423088.db2.gz ZOMRZIIKCWCJQW-KRWDZBQOSA-N 2 0 291.414 2.762 20 0 CFADRP COC(C)(C)CC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233546 778423696 /nfs/dbraw/zinc/42/36/96/778423696.db2.gz RORVWNDAGUIPKE-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP c1nc2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)ccc2[nH]1 ZINC001235232716 778424155 /nfs/dbraw/zinc/42/41/55/778424155.db2.gz ZTFZMCQPUGEUSH-INIZCTEOSA-N 2 0 298.434 2.917 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001168313618 778424363 /nfs/dbraw/zinc/42/43/63/778424363.db2.gz FEBPUCNSXDWMAJ-NWINJMCUSA-N 2 0 260.372 2.631 20 0 CFADRP C(C1CCSCC1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234497 778424838 /nfs/dbraw/zinc/42/48/38/778424838.db2.gz YWSIMPRLJVRYCS-MRXNPFEDSA-N 2 0 282.497 2.984 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)o1 ZINC001235235771 778425449 /nfs/dbraw/zinc/42/54/49/778425449.db2.gz ASMQZYMJOMDBCA-HNNXBMFYSA-N 2 0 277.412 2.646 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(CCCc1ccccc1F)C2 ZINC001235239221 778426604 /nfs/dbraw/zinc/42/66/04/778426604.db2.gz GBYSYVQJTBSTGW-GDBMZVCRSA-N 2 0 262.372 2.572 20 0 CFADRP Nc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235238012 778426901 /nfs/dbraw/zinc/42/69/01/778426901.db2.gz GDYDXCHRRIFSSI-QGZVFWFLSA-N 2 0 273.424 2.623 20 0 CFADRP c1cc2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)ncc2[nH]1 ZINC001235237892 778427176 /nfs/dbraw/zinc/42/71/76/778427176.db2.gz DXZJJIUCRMZGMI-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235241504 778429182 /nfs/dbraw/zinc/42/91/82/778429182.db2.gz WWWVKZOJROMQMW-BFYDXBDKSA-N 2 0 282.472 2.767 20 0 CFADRP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235241508 778429441 /nfs/dbraw/zinc/42/94/41/778429441.db2.gz WWWVKZOJROMQMW-ZMSDIMECSA-N 2 0 282.472 2.767 20 0 CFADRP c1cc2ccc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)nc2[nH]1 ZINC001235242626 778429683 /nfs/dbraw/zinc/42/96/83/778429683.db2.gz SQRMJBFOXYMOQY-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001168323784 778433216 /nfs/dbraw/zinc/43/32/16/778433216.db2.gz CMTPMUFEBKNREI-DAWZGUTISA-N 2 0 288.435 2.933 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235255269 778434603 /nfs/dbraw/zinc/43/46/03/778434603.db2.gz MFJKGIYZLWMAHB-GDBMZVCRSA-N 2 0 278.827 2.956 20 0 CFADRP c1ccc(C2(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]43)CCCC2)cc1 ZINC001235254149 778434835 /nfs/dbraw/zinc/43/48/35/778434835.db2.gz BBELPQYFPXHVTP-WBVHZDCISA-N 2 0 270.420 2.792 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235261141 778436688 /nfs/dbraw/zinc/43/66/88/778436688.db2.gz OXTCPRQNBNZINM-SBZGPEHISA-N 2 0 274.452 2.887 20 0 CFADRP C[C@H](C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC001235283359 778442464 /nfs/dbraw/zinc/44/24/64/778442464.db2.gz NBQHPZCXJOMJIB-GQAVTEOGSA-N 2 0 266.388 2.832 20 0 CFADRP [NH3+]Cc1ccc2nn(C3CC[NH+](CC4CC4)CC3)cc2c1 ZINC001168356076 778455668 /nfs/dbraw/zinc/45/56/68/778455668.db2.gz KEXSMTVXKKMBSO-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP CCCOc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1 ZINC001235336441 778459584 /nfs/dbraw/zinc/45/95/84/778459584.db2.gz YACLXVOTOQSRRW-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP CCc1cccc(C)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235340040 778460470 /nfs/dbraw/zinc/46/04/70/778460470.db2.gz LJCZKQWIVWPYPM-UHFFFAOYSA-N 2 0 272.436 2.989 20 0 CFADRP c1ccc(CCCCC[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235342439 778461326 /nfs/dbraw/zinc/46/13/26/778461326.db2.gz VQYDQDJTKPJDNQ-QGZVFWFLSA-N 2 0 272.436 2.941 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1CC ZINC001235343028 778461731 /nfs/dbraw/zinc/46/17/31/778461731.db2.gz ZTRZMKJNVLCAKB-MRXNPFEDSA-N 2 0 288.435 2.689 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235371466 778470641 /nfs/dbraw/zinc/47/06/41/778470641.db2.gz ZXXPOMJSLAZWHH-QBPKDAKJSA-N 2 0 280.456 2.656 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001235400690 778475476 /nfs/dbraw/zinc/47/54/76/778475476.db2.gz DLPKAQYBSMSTTH-QZTJIDSGSA-N 2 0 288.410 2.699 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235402855 778476871 /nfs/dbraw/zinc/47/68/71/778476871.db2.gz JZNZCKCNLJTEMH-HZPDHXFCSA-N 2 0 296.817 2.906 20 0 CFADRP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001235400691 778476936 /nfs/dbraw/zinc/47/69/36/778476936.db2.gz DLPKAQYBSMSTTH-ROUUACIJSA-N 2 0 288.410 2.699 20 0 CFADRP Fc1ccc(CCC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235404128 778477570 /nfs/dbraw/zinc/47/75/70/778477570.db2.gz MOYSEZDVYSAARE-SJORKVTESA-N 2 0 294.389 2.782 20 0 CFADRP Cc1ccc(O)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422844 778485559 /nfs/dbraw/zinc/48/55/59/778485559.db2.gz DPWONSYGTPPIBN-CVEARBPZSA-N 2 0 288.435 2.912 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001235429481 778486545 /nfs/dbraw/zinc/48/65/45/778486545.db2.gz UFSHNKBTGIUMPB-AEFFLSMTSA-N 3 0 299.462 2.501 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])cc(C)c1OC(C)C ZINC001235445935 778493167 /nfs/dbraw/zinc/49/31/67/778493167.db2.gz VVEDYQOQEXDBCC-UHFFFAOYSA-N 2 0 264.413 2.871 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697907705 778521741 /nfs/dbraw/zinc/52/17/41/778521741.db2.gz GAEYQFFPYRQVIC-KBPBESRZSA-N 2 0 264.413 2.643 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CCc1ccc(O)cc1)[NH+](C)C ZINC000697907707 778521760 /nfs/dbraw/zinc/52/17/60/778521760.db2.gz GAEYQFFPYRQVIC-UONOGXRCSA-N 2 0 264.413 2.643 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCC[NH3+])cc1OC ZINC001235673463 778531246 /nfs/dbraw/zinc/53/12/46/778531246.db2.gz IHRFEGMTPVYHCO-AWEZNQCLSA-N 2 0 278.396 2.580 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC001235673121 778531614 /nfs/dbraw/zinc/53/16/14/778531614.db2.gz BMXBBQQYPGGTGL-UHFFFAOYSA-N 2 0 284.350 2.547 20 0 CFADRP CC1(C)CCc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)ccc2O1 ZINC001235672923 778531667 /nfs/dbraw/zinc/53/16/67/778531667.db2.gz JIAUCWLRRCHHLY-HNNXBMFYSA-N 2 0 288.435 2.961 20 0 CFADRP C[N@H+](CCOc1ccccc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001235676731 778532755 /nfs/dbraw/zinc/53/27/55/778532755.db2.gz VALKWQYRJTVCBP-UHFFFAOYSA-N 2 0 288.435 2.777 20 0 CFADRP c1ccc2c(c1)CC[NH+](CC1CC3(C1)CC[NH2+]CC3)CC2 ZINC001235692309 778539139 /nfs/dbraw/zinc/53/91/39/778539139.db2.gz YBKVXLSCOMAFNZ-UHFFFAOYSA-N 2 0 284.447 2.867 20 0 CFADRP Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001235691611 778539375 /nfs/dbraw/zinc/53/93/75/778539375.db2.gz LCMNFEWHAVZIBJ-DLBZAZTESA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001235691613 778539487 /nfs/dbraw/zinc/53/94/87/778539487.db2.gz LCMNFEWHAVZIBJ-IAGOWNOFSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235694405 778539791 /nfs/dbraw/zinc/53/97/91/778539791.db2.gz FDCPERPUVOHIKJ-UONOGXRCSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@@H]1C ZINC001235695093 778541193 /nfs/dbraw/zinc/54/11/93/778541193.db2.gz OPEHTVGZGGYBIE-HZPDHXFCSA-N 2 0 287.451 2.717 20 0 CFADRP Oc1cc(F)cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235703522 778541857 /nfs/dbraw/zinc/54/18/57/778541857.db2.gz XGNPFVYVDPWUOI-UHFFFAOYSA-N 2 0 292.398 2.743 20 0 CFADRP CCn1ccc2c1cccc2C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711190 778544633 /nfs/dbraw/zinc/54/46/33/778544633.db2.gz LMEABQBAFMOUMY-UHFFFAOYSA-N 2 0 283.419 2.847 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2c(c1)CCCN2 ZINC001235716690 778545430 /nfs/dbraw/zinc/54/54/30/778545430.db2.gz GIDPWBIEGZBTSJ-UHFFFAOYSA-N 2 0 287.451 2.866 20 0 CFADRP COc1cc(C)cc(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235716731 778545475 /nfs/dbraw/zinc/54/54/75/778545475.db2.gz IIEUXWUPHYOVEP-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP FC1(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235714940 778546087 /nfs/dbraw/zinc/54/60/87/778546087.db2.gz MZYKHXCQBHNROL-INIZCTEOSA-N 2 0 276.399 2.643 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2c(c1)NCCC2 ZINC001235717962 778547205 /nfs/dbraw/zinc/54/72/05/778547205.db2.gz PNTLDIYGOSKFMD-UHFFFAOYSA-N 2 0 287.451 2.866 20 0 CFADRP C[C@@H](CCN[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000697937605 778551068 /nfs/dbraw/zinc/55/10/68/778551068.db2.gz TZZZVEITOPGVAB-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000697937600 778551386 /nfs/dbraw/zinc/55/13/86/778551386.db2.gz TZZZVEITOPGVAB-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235778203 778557362 /nfs/dbraw/zinc/55/73/62/778557362.db2.gz WFIHPNRZJBDFFF-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP COCCCN(Cc1ccc(C)s1)[C@@H]1CCC[NH2+]C1 ZINC001235808479 778565139 /nfs/dbraw/zinc/56/51/39/778565139.db2.gz UBGSWVBEBZPQHU-CQSZACIVSA-N 2 0 282.453 2.647 20 0 CFADRP C[Si](C)(C)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235825334 778569755 /nfs/dbraw/zinc/56/97/55/778569755.db2.gz LXMFHRZARMMSKY-INIZCTEOSA-N 2 0 276.500 2.976 20 0 CFADRP CCCCOc1ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC001235841963 778576734 /nfs/dbraw/zinc/57/67/34/778576734.db2.gz KTJRSZOOYASINY-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP COc1ccc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001235886838 778591628 /nfs/dbraw/zinc/59/16/28/778591628.db2.gz DPDCWZPBLCWDHS-GOSISDBHSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC(C)(C)CC[NH3+] ZINC001168366761 778596060 /nfs/dbraw/zinc/59/60/60/778596060.db2.gz ZIUQMHOVHXJVNE-OAHLLOKOSA-N 3 0 295.515 2.852 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccccc1-n1cccc1 ZINC001235926278 778612689 /nfs/dbraw/zinc/61/26/89/778612689.db2.gz WHICEXXDUHLRDW-INIZCTEOSA-N 2 0 269.392 2.791 20 0 CFADRP Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925959 778612734 /nfs/dbraw/zinc/61/27/34/778612734.db2.gz TXSBEABKYQPBGH-ZDUSSCGKSA-N 2 0 252.789 2.962 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160809476 778617111 /nfs/dbraw/zinc/61/71/11/778617111.db2.gz QKFFCJFTQAVCCC-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2)c1 ZINC001235936938 778618185 /nfs/dbraw/zinc/61/81/85/778618185.db2.gz HMYMDVBQIGSEDP-DLBZAZTESA-N 2 0 281.403 2.519 20 0 CFADRP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939865 778619362 /nfs/dbraw/zinc/61/93/62/778619362.db2.gz QSIZXQQPXXALPK-HOTGVXAUSA-N 2 0 282.387 2.988 20 0 CFADRP c1cc2n(c1C[N@@H+]1CC[C@H](C3CCCCC3)C1)CC[NH2+]C2 ZINC001235949536 778623591 /nfs/dbraw/zinc/62/35/91/778623591.db2.gz OAXJIRNHYWJHSK-INIZCTEOSA-N 2 0 287.451 2.994 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCCC2)C[C@@H]1CCC[NH2+]C1 ZINC001235957637 778626818 /nfs/dbraw/zinc/62/68/18/778626818.db2.gz QYBPYSCWYFKHSU-OAHLLOKOSA-N 2 0 272.436 2.997 20 0 CFADRP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)CC1CCCC1 ZINC001235959654 778627888 /nfs/dbraw/zinc/62/78/88/778627888.db2.gz ZJBWFHLGVNZUNT-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCCCC23CC3)c1 ZINC001235959386 778627900 /nfs/dbraw/zinc/62/79/00/778627900.db2.gz IJHOPYHBPGPAMJ-UHFFFAOYSA-N 2 0 299.462 2.610 20 0 CFADRP CC(C)[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)c1ccccc1 ZINC001235961537 778629509 /nfs/dbraw/zinc/62/95/09/778629509.db2.gz BVMZFISNJCOMAX-INIZCTEOSA-N 2 0 288.435 2.969 20 0 CFADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001235976657 778636367 /nfs/dbraw/zinc/63/63/67/778636367.db2.gz BKDLJFIQVSCTFD-AEFFLSMTSA-N 2 0 270.420 2.922 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H]4CC[C@@]4([NH3+])C3)cc21 ZINC001235998632 778648314 /nfs/dbraw/zinc/64/83/14/778648314.db2.gz YFMRIRXQFXXXRF-VQIMIIECSA-N 2 0 297.446 2.611 20 0 CFADRP Cc1cccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1C ZINC001236009827 778654122 /nfs/dbraw/zinc/65/41/22/778654122.db2.gz XLRZRKJOXBXJED-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP CCCC[NH+](CCCC)CCCO[C@H]1CC[N@H+](C)C1 ZINC001224755303 778669264 /nfs/dbraw/zinc/66/92/64/778669264.db2.gz MBYSECLQWDNQGL-INIZCTEOSA-N 2 0 270.461 2.999 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072144 778681415 /nfs/dbraw/zinc/68/14/15/778681415.db2.gz DVTLUANCZNAFOU-LIMHQNJXSA-N 2 0 279.472 2.620 20 0 CFADRP C[C@H](CC[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1)CC(C)(C)C ZINC001236074183 778682363 /nfs/dbraw/zinc/68/23/63/778682363.db2.gz WAGMLTQFUBDZFL-GDBMZVCRSA-N 2 0 281.488 2.556 20 0 CFADRP c1cc(C[NH+]2CC3CCC(CC3)C2)cc2c1C[NH2+]C2 ZINC001236089112 778686859 /nfs/dbraw/zinc/68/68/59/778686859.db2.gz NUONPXGZROVMHZ-UHFFFAOYSA-N 2 0 256.393 2.912 20 0 CFADRP COc1ccccc1OCC1CC[NH+](CCCC[NH3+])CC1 ZINC001236107696 778697806 /nfs/dbraw/zinc/69/78/06/778697806.db2.gz AJEWZNIVDNVIQN-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236111034 778698622 /nfs/dbraw/zinc/69/86/22/778698622.db2.gz HCTHEQNMYVPTDC-KRWDZBQOSA-N 2 0 287.451 2.717 20 0 CFADRP CCCC[C@@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CC[NH2+]1 ZINC001236135762 778709349 /nfs/dbraw/zinc/70/93/49/778709349.db2.gz BKIRNJOVKJSJHD-CQSZACIVSA-N 2 0 272.396 2.527 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(-n2ccnc2)cc1 ZINC001236182952 778728596 /nfs/dbraw/zinc/72/85/96/778728596.db2.gz SPLAWVQXHOQICX-KRWDZBQOSA-N 2 0 298.434 2.836 20 0 CFADRP [NH3+]C1CCC([N@H+](CCCCO)Cc2ccccc2)CC1 ZINC001236228809 778746032 /nfs/dbraw/zinc/74/60/32/778746032.db2.gz ZSKGVUXBMSPGIR-UHFFFAOYSA-N 2 0 276.424 2.531 20 0 CFADRP c1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)CCS2 ZINC001236242635 778750952 /nfs/dbraw/zinc/75/09/52/778750952.db2.gz ZSBUJTAHTSLEIL-UHFFFAOYSA-N 2 0 276.449 2.984 20 0 CFADRP c1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314211 778772887 /nfs/dbraw/zinc/77/28/87/778772887.db2.gz LDBAVQVIMOORBD-CALCHBBNSA-N 2 0 258.409 2.551 20 0 CFADRP c1c2ccccc2oc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314289 778774068 /nfs/dbraw/zinc/77/40/68/778774068.db2.gz ANTRHRGGVWYDRL-GASCZTMLSA-N 2 0 270.376 2.864 20 0 CFADRP Clc1cccc(CC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314459 778774130 /nfs/dbraw/zinc/77/41/30/778774130.db2.gz NHHGOOVYGXJUNK-GASCZTMLSA-N 2 0 278.827 2.814 20 0 CFADRP FC(F)Oc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314771 778774150 /nfs/dbraw/zinc/77/41/50/778774150.db2.gz HBJQGLPNWGCEPD-OKILXGFUSA-N 2 0 296.361 2.719 20 0 CFADRP C(C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)C1CCCCC1 ZINC001236315239 778774535 /nfs/dbraw/zinc/77/45/35/778774535.db2.gz XEEACQHAYIBDHC-IYBDPMFKSA-N 2 0 250.430 2.888 20 0 CFADRP Fc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236316481 778775260 /nfs/dbraw/zinc/77/52/60/778775260.db2.gz SVYGKDBMFXJSHZ-BETUJISGSA-N 2 0 287.382 2.738 20 0 CFADRP Fc1cc2cc[nH]c2c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320381 778777449 /nfs/dbraw/zinc/77/74/49/778777449.db2.gz BCUMZYQUZODMIU-OKILXGFUSA-N 2 0 287.382 2.738 20 0 CFADRP FC(F)(F)c1ccncc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319753 778777905 /nfs/dbraw/zinc/77/79/05/778777905.db2.gz FCEQOFMQPPERLM-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP Fc1ccc2nc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236319773 778778118 /nfs/dbraw/zinc/77/81/18/778778118.db2.gz FPLBTCMSNJMKSJ-GASCZTMLSA-N 2 0 299.393 2.805 20 0 CFADRP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C ZINC001236320131 778778154 /nfs/dbraw/zinc/77/81/54/778778154.db2.gz CUMUURJESQWBRE-CALCHBBNSA-N 2 0 288.435 2.825 20 0 CFADRP COc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001236321193 778778468 /nfs/dbraw/zinc/77/84/68/778778468.db2.gz YAUZCRIFHGSAQM-OKILXGFUSA-N 2 0 294.826 2.780 20 0 CFADRP CCOc1cc(C)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322355 778778731 /nfs/dbraw/zinc/77/87/31/778778731.db2.gz YYSKAAGTASBONP-IYBDPMFKSA-N 2 0 288.435 2.825 20 0 CFADRP FC(F)(F)c1cccnc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322187 778779068 /nfs/dbraw/zinc/77/90/68/778779068.db2.gz SIZAAKVMLFBVKG-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP c1cc(C2CC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322101 778779102 /nfs/dbraw/zinc/77/91/02/778779102.db2.gz PJANRLXKDWBUED-HDICACEKSA-N 2 0 270.420 2.995 20 0 CFADRP COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321312 778779221 /nfs/dbraw/zinc/77/92/21/778779221.db2.gz HWYOWEUQYXLVDG-OKILXGFUSA-N 2 0 294.826 2.780 20 0 CFADRP CC1(C[NH+]2CCC(c3ccc(N)cc3)CC2)CC[NH2+]CC1 ZINC001236335797 778784583 /nfs/dbraw/zinc/78/45/83/778784583.db2.gz LZDFTYPUNFZRKK-UHFFFAOYSA-N 2 0 287.451 2.838 20 0 CFADRP CCCN(CCC[NH+](C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168395391 778785112 /nfs/dbraw/zinc/78/51/12/778785112.db2.gz YKMRWWABTRSSBA-UHFFFAOYSA-N 3 0 281.488 2.525 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168396084 778786019 /nfs/dbraw/zinc/78/60/19/778786019.db2.gz CAGSJLVCUFSJJH-MRXNPFEDSA-N 2 0 264.388 2.614 20 0 CFADRP c1cc2c(c(-c3cccc4c3CC[NH2+]C4)c1)C[NH2+]C2 ZINC001236354598 778790101 /nfs/dbraw/zinc/79/01/01/778790101.db2.gz UBRYHLVEUPWAGU-UHFFFAOYSA-N 2 0 250.345 2.603 20 0 CFADRP Nc1cccc2c1CC[N@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001236365480 778792291 /nfs/dbraw/zinc/79/22/91/778792291.db2.gz LIQMBSWKDYFGNM-UHFFFAOYSA-N 2 0 299.443 2.534 20 0 CFADRP C(C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)C1CC[NH2+]CC1 ZINC001236373565 778796477 /nfs/dbraw/zinc/79/64/77/778796477.db2.gz ZNTJVRXKWWCHSL-QGZVFWFLSA-N 3 0 293.499 2.620 20 0 CFADRP OCCCCC[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401567 778803032 /nfs/dbraw/zinc/80/30/32/778803032.db2.gz PAJVVAFXCMIROF-UHFFFAOYSA-N 2 0 294.414 2.542 20 0 CFADRP CC1(C[N@@H+]2CCOC[C@H]2C2CCCCC2)CC[NH2+]CC1 ZINC001236434464 778827833 /nfs/dbraw/zinc/82/78/33/778827833.db2.gz SDTJOOGDXYDZGC-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001236434933 778828250 /nfs/dbraw/zinc/82/82/50/778828250.db2.gz ZRYCFFMTXYPFLL-GOSISDBHSA-N 2 0 288.435 2.926 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CCC2 ZINC001236434468 778828368 /nfs/dbraw/zinc/82/83/68/778828368.db2.gz SOCOKKCYKPQGFQ-KRWDZBQOSA-N 2 0 288.435 2.976 20 0 CFADRP CC(C)N1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168405412 778850660 /nfs/dbraw/zinc/85/06/60/778850660.db2.gz RTKJPTVZENRMFI-DLBZAZTESA-N 2 0 276.399 2.755 20 0 CFADRP Cc1cccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)c1C ZINC001236532644 778867207 /nfs/dbraw/zinc/86/72/07/778867207.db2.gz DPTJPMBLSPROSB-OAHLLOKOSA-N 2 0 258.409 2.877 20 0 CFADRP Cc1ccnc(O[C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)c1 ZINC001236532616 778867385 /nfs/dbraw/zinc/86/73/85/778867385.db2.gz DFHYYRWXUNVQMJ-MRXNPFEDSA-N 2 0 291.439 2.752 20 0 CFADRP CC1(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001236566400 778877558 /nfs/dbraw/zinc/87/75/58/778877558.db2.gz GMPMBIMUIVYLSI-JCNLHEQBSA-N 3 0 293.499 2.891 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCC2CC[NH2+]CC2)C2CCCC2)CC1 ZINC001236566501 778877673 /nfs/dbraw/zinc/87/76/73/778877673.db2.gz JKDNWCSWRLMTRH-SAABIXHNSA-N 3 0 293.499 2.891 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@@H]2CCC[NH2+]2)C2CCCCC2)CC1 ZINC001236566600 778877940 /nfs/dbraw/zinc/87/79/40/778877940.db2.gz ZXIOHQUAZDSYMV-ZOBUZTSGSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCC[NH2+]2)C2CCC2)CC1 ZINC001236572081 778879847 /nfs/dbraw/zinc/87/98/47/778879847.db2.gz LYZKXRVRPNZXQP-ZOBUZTSGSA-N 3 0 279.472 2.643 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584670 778885875 /nfs/dbraw/zinc/88/58/75/778885875.db2.gz OKVKESILFYCPPM-MRXNPFEDSA-N 2 0 293.499 2.763 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584735 778886292 /nfs/dbraw/zinc/88/62/92/778886292.db2.gz RQHSOORNPHHGJT-JJXSEGSLSA-N 2 0 260.425 2.663 20 0 CFADRP CC1(C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCCO1 ZINC001232013471 778888768 /nfs/dbraw/zinc/88/87/68/778888768.db2.gz ACBDOEDJODDWJR-UHFFFAOYSA-N 2 0 259.353 2.564 20 0 CFADRP c1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)cc2c1NCC2 ZINC001236637703 778900058 /nfs/dbraw/zinc/90/00/58/778900058.db2.gz TUXYWKCLWDSYAT-UHFFFAOYSA-N 2 0 285.435 2.761 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168414143 778911269 /nfs/dbraw/zinc/91/12/69/778911269.db2.gz DHMPGMWBKOFXCV-HRCADAONSA-N 2 0 262.372 2.543 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4occc43)C2)C1 ZINC001236740297 778925667 /nfs/dbraw/zinc/92/56/67/778925667.db2.gz VKANMAKHJFUWPW-KRWDZBQOSA-N 2 0 270.376 2.960 20 0 CFADRP CC[NH2+]CCN(Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742725 778925886 /nfs/dbraw/zinc/92/58/86/778925886.db2.gz PLOJAVUGMMHJIZ-QAQDUYKDSA-N 2 0 293.430 2.507 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@@H]12 ZINC001236817644 778952398 /nfs/dbraw/zinc/95/23/98/778952398.db2.gz DUAXYIHCOZYIGK-NUEKZKHPSA-N 2 0 278.827 2.942 20 0 CFADRP CCC[N@@H+](Cc1cc(C)ccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236833446 778958898 /nfs/dbraw/zinc/95/88/98/778958898.db2.gz BLBMIYKURXCJAE-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cccc(O[C@H]2CCC[N@H+](CCCCCC[NH3+])C2)n1 ZINC001236846125 778963870 /nfs/dbraw/zinc/96/38/70/778963870.db2.gz BUDDFSBLSLSOAR-INIZCTEOSA-N 2 0 291.439 2.752 20 0 CFADRP CCC[N@@H+](Cc1cc(OC)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236844689 778964006 /nfs/dbraw/zinc/96/40/06/778964006.db2.gz XRWZEVPXYZBMNJ-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236888897 778973365 /nfs/dbraw/zinc/97/33/65/778973365.db2.gz TYNZPDPRNBYDKE-INIZCTEOSA-N 2 0 287.451 2.670 20 0 CFADRP CC1CC([N@H+](C)Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236887754 778973924 /nfs/dbraw/zinc/97/39/24/778973924.db2.gz OYFDTACZOPGQMX-UHFFFAOYSA-N 2 0 287.451 2.669 20 0 CFADRP CCCC[C@H](CC)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236911581 778981879 /nfs/dbraw/zinc/98/18/79/778981879.db2.gz FFWYICKDVYMADH-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP c1coc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1 ZINC001236948513 778984820 /nfs/dbraw/zinc/98/48/20/778984820.db2.gz QVUFQACASCEVIU-UHFFFAOYSA-N 2 0 262.397 2.881 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(O)cc4ccccc43)C[C@@H]2C1 ZINC001237068409 779003411 /nfs/dbraw/zinc/00/34/11/779003411.db2.gz OXEZTMXZGIKWLG-WBVHZDCISA-N 2 0 296.414 2.929 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)ccc1C ZINC001237082333 779008005 /nfs/dbraw/zinc/00/80/05/779008005.db2.gz PCUPKUVVCSRPHR-QGZVFWFLSA-N 2 0 276.424 2.955 20 0 CFADRP C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1CC([NH2+]C1CCCC1)C2 ZINC001278059573 779035732 /nfs/dbraw/zinc/03/57/32/779035732.db2.gz HWDPJTPBXKWNBN-AYHJJNSGSA-N 2 0 291.483 2.610 20 0 CFADRP Fc1cccc2c1CC[C@]21CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC001237188970 779044397 /nfs/dbraw/zinc/04/43/97/779044397.db2.gz SHJCASZWEOQTLI-KDOFPFPSSA-N 2 0 288.410 2.715 20 0 CFADRP Cc1cc(OC(F)(F)F)ccc1CN1C[C@@H]([NH3+])C[C@H]1C ZINC001237203897 779048876 /nfs/dbraw/zinc/04/88/76/779048876.db2.gz NIAJJJQCVTUGBG-PWSUYJOCSA-N 2 0 288.313 2.815 20 0 CFADRP C1=C2[NH2+]CCN(CCC[NH2+]C3CCCCC3)[C@H]2CCC1 ZINC001237220157 779051567 /nfs/dbraw/zinc/05/15/67/779051567.db2.gz QTUCCAUMXOEMGM-KRWDZBQOSA-N 2 0 277.456 2.640 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC001237232059 779057036 /nfs/dbraw/zinc/05/70/36/779057036.db2.gz HZPABPADIMFLHB-HIFRSBDPSA-N 2 0 279.815 2.662 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@@](C)(C(F)F)O1 ZINC000698847069 779067873 /nfs/dbraw/zinc/06/78/73/779067873.db2.gz YETXOWIIHNTCFV-OCCSQVGLSA-N 2 0 278.387 2.640 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237384170 779088985 /nfs/dbraw/zinc/08/89/85/779088985.db2.gz VELBFOBMUQGLQP-GOEBONIOSA-N 2 0 262.397 2.595 20 0 CFADRP COc1cc(C)cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237406897 779100064 /nfs/dbraw/zinc/10/00/64/779100064.db2.gz WCRQTZZKPXDXJO-DOTOQJQBSA-N 2 0 274.408 2.578 20 0 CFADRP c1nc2ccc(CN3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2s1 ZINC001237413936 779102385 /nfs/dbraw/zinc/10/23/85/779102385.db2.gz JTCLCXNKPOBOHS-KBPBESRZSA-N 2 0 287.432 2.870 20 0 CFADRP c1cc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2)n[nH]1 ZINC001237418284 779104523 /nfs/dbraw/zinc/10/45/23/779104523.db2.gz XRCOJXUHXXRYKO-SJORKVTESA-N 2 0 296.418 2.651 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(N2CCCC2)c1 ZINC001237419316 779105324 /nfs/dbraw/zinc/10/53/24/779105324.db2.gz ZSUQNSOYODWVQN-IEBWSBKVSA-N 2 0 299.462 2.861 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4nccc(C)c34)C[C@@H]2C1 ZINC001237625435 779148053 /nfs/dbraw/zinc/14/80/53/779148053.db2.gz AZSZLSMQXHCSFS-CALCHBBNSA-N 2 0 295.430 2.927 20 0 CFADRP COc1ccc(C)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001237716894 779167829 /nfs/dbraw/zinc/16/78/29/779167829.db2.gz ZBOBCKXFVHWKMT-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001205095161 779172731 /nfs/dbraw/zinc/17/27/31/779172731.db2.gz UWSCWZNBJVVFFE-CYBMUJFWSA-N 2 0 261.344 2.620 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)cc2c1 ZINC001205095568 779181705 /nfs/dbraw/zinc/18/17/05/779181705.db2.gz ZBKIMMOLPLHNQS-CYBMUJFWSA-N 2 0 274.364 2.755 20 0 CFADRP CC(C)[N@H+](CCC[NH3+])[C@H](C)Cc1cccc(F)c1 ZINC001168456850 779183853 /nfs/dbraw/zinc/18/38/53/779183853.db2.gz XKUFBAOBJPQOBW-CYBMUJFWSA-N 2 0 252.377 2.816 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC001237825416 779189036 /nfs/dbraw/zinc/18/90/36/779189036.db2.gz AFUMMIPBIKRZAT-UHFFFAOYSA-N 2 0 279.453 2.623 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CC(C4COC4)C3)cc21 ZINC001237881027 779198895 /nfs/dbraw/zinc/19/88/95/779198895.db2.gz NGQXXDUNBPNPCV-UHFFFAOYSA-N 2 0 298.430 2.766 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4C[C@H]3C[N@@H+]4C)cc21 ZINC001237889362 779202342 /nfs/dbraw/zinc/20/23/42/779202342.db2.gz JMPZBWWIVIWMBZ-IRXDYDNUSA-N 2 0 297.446 2.576 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001205101202 779206115 /nfs/dbraw/zinc/20/61/15/779206115.db2.gz BHVBYVOJOJVYNZ-CQSZACIVSA-N 2 0 270.376 2.859 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([NH3+])CC3)ccc2n1 ZINC001205110125 779233964 /nfs/dbraw/zinc/23/39/64/779233964.db2.gz PENHTOYTFNYPLY-INIZCTEOSA-N 2 0 269.392 2.856 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000699363087 779248719 /nfs/dbraw/zinc/24/87/19/779248719.db2.gz QOVUFCSCBUWJIB-OWCLPIDISA-N 2 0 274.408 2.670 20 0 CFADRP C[C@H]1C[N@H+](CCc2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC001205130887 779285224 /nfs/dbraw/zinc/28/52/24/779285224.db2.gz NURGSZMHBRNXGL-CMPLNLGQSA-N 2 0 270.779 2.548 20 0 CFADRP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cnc1C1CC1 ZINC001238624129 779353328 /nfs/dbraw/zinc/35/33/28/779353328.db2.gz KQNAJQVTGQSZSK-UHFFFAOYSA-N 2 0 285.435 2.795 20 0 CFADRP CCOc1ccc(C)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1 ZINC001238712735 779372205 /nfs/dbraw/zinc/37/22/05/779372205.db2.gz PRIJUTJJFLPWCT-WBVHZDCISA-N 2 0 288.435 2.777 20 0 CFADRP CSc1ncc(C)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001238717852 779374769 /nfs/dbraw/zinc/37/47/69/779374769.db2.gz YUYSNTFOQMUTNF-UHFFFAOYSA-N 2 0 293.480 2.886 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000715272288 779377742 /nfs/dbraw/zinc/37/77/42/779377742.db2.gz RIUYJNGKWUXYSL-SSDMNJCBSA-N 2 0 260.381 2.583 20 0 CFADRP C[N@@H+](Cc1ccc(C2CCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001235842158 779384961 /nfs/dbraw/zinc/38/49/61/779384961.db2.gz MCHKLVBOHXTHIM-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP CCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236006646 779429909 /nfs/dbraw/zinc/42/99/09/779429909.db2.gz RCDDZAAJJGNBAK-SJORKVTESA-N 2 0 258.409 2.650 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC001239209590 779473406 /nfs/dbraw/zinc/47/34/06/779473406.db2.gz QOFSATUAFKANDM-CQSZACIVSA-N 2 0 286.423 2.912 20 0 CFADRP [NH3+]CC1(Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001239324845 779514238 /nfs/dbraw/zinc/51/42/38/779514238.db2.gz JVVDMGAQCTUXMH-UHFFFAOYSA-N 2 0 272.314 2.576 20 0 CFADRP CC[N@@H+](Cc1c(C)cc(F)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236412379 779558741 /nfs/dbraw/zinc/55/87/41/779558741.db2.gz TWVAFYADBIKUTC-AWEZNQCLSA-N 2 0 264.388 2.874 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)sc1C ZINC001237418161 779685915 /nfs/dbraw/zinc/68/59/15/779685915.db2.gz WNKWFQUXTGIULI-UKRRQHHQSA-N 2 0 264.438 2.939 20 0 CFADRP Cc1cc(-c2ccccc2C[NH+](C)C)nc2c1C[NH2+]CC2 ZINC001239680221 779705846 /nfs/dbraw/zinc/70/58/46/779705846.db2.gz ORNSIXOHLOXKFR-UHFFFAOYSA-N 2 0 281.403 2.764 20 0 CFADRP Cc1cnc(-c2ccccc2C[NH+](C)C)c(C[NH3+])c1 ZINC001239681052 779707267 /nfs/dbraw/zinc/70/72/67/779707267.db2.gz VMLKSFYQQCNOLE-UHFFFAOYSA-N 2 0 255.365 2.577 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cncc(C[NH3+])c2)nc1 ZINC001239791751 779775972 /nfs/dbraw/zinc/77/59/72/779775972.db2.gz UNEJLXPNQSWZPR-AWEZNQCLSA-N 2 0 296.418 2.977 20 0 CFADRP [NH3+]C[C@@]1(O)CCC[N@H+](CCCC2CCCCC2)CC1 ZINC001205210527 779918242 /nfs/dbraw/zinc/91/82/42/779918242.db2.gz PLSIOXBIXCRORN-MRXNPFEDSA-N 2 0 268.445 2.523 20 0 CFADRP COC[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000721920406 779973073 /nfs/dbraw/zinc/97/30/73/779973073.db2.gz PCJPYNPOKFNIPQ-IRXDYDNUSA-N 2 0 282.472 2.617 20 0 CFADRP C[NH2+]Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2)ncn1 ZINC001240168544 779983220 /nfs/dbraw/zinc/98/32/20/779983220.db2.gz NVOXDSPSYMEESD-UHFFFAOYSA-N 2 0 296.418 2.849 20 0 CFADRP CCC1(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)C[NH2+]C1 ZINC001168582286 780002713 /nfs/dbraw/zinc/00/27/13/780002713.db2.gz MQQGWFHCMNEKPZ-UHFFFAOYSA-N 2 0 295.308 2.839 20 0 CFADRP Cc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cn1 ZINC001240224697 780012767 /nfs/dbraw/zinc/01/27/67/780012767.db2.gz HQNPORWCTAGTSO-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000715582359 780173858 /nfs/dbraw/zinc/17/38/58/780173858.db2.gz ZZTWBMDVAHCQHC-ZUEPYMLJSA-N 2 0 274.408 2.842 20 0 CFADRP c1cc(N2CCCC2)cc(-c2ccc3c(c2)CC[NH2+]C3)[nH+]1 ZINC001240454285 780174357 /nfs/dbraw/zinc/17/43/57/780174357.db2.gz KFQKKXAYOYIYNC-UHFFFAOYSA-N 2 0 279.387 2.995 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cncc(Cl)c2)CC1 ZINC000715581369 780175564 /nfs/dbraw/zinc/17/55/64/780175564.db2.gz RPLPLTGAEWYURD-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP CCCCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168653140 780199404 /nfs/dbraw/zinc/19/94/04/780199404.db2.gz JQSGBCQESQBSFL-INIZCTEOSA-N 2 0 299.503 2.639 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(C)c1 ZINC001205033765 780200131 /nfs/dbraw/zinc/20/01/31/780200131.db2.gz RVPYIHKCZNFWFR-UHFFFAOYSA-N 2 0 262.397 2.564 20 0 CFADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684175 780321781 /nfs/dbraw/zinc/32/17/81/780321781.db2.gz GOHMVEXYTHSABR-UONOGXRCSA-N 2 0 278.827 2.881 20 0 CFADRP Cc1c(F)cccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001240731131 780399309 /nfs/dbraw/zinc/39/93/09/780399309.db2.gz FIPJMJXNNXRBLF-UHFFFAOYSA-N 2 0 271.339 2.606 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000453193279 780421552 /nfs/dbraw/zinc/42/15/52/780421552.db2.gz LBOXKVICXWWDBW-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)n(C)n1 ZINC001240859264 780483044 /nfs/dbraw/zinc/48/30/44/780483044.db2.gz AKOFVKIRLAWKBW-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C2CC(OC(C)(C)C)C2)C1 ZINC000360895836 780592814 /nfs/dbraw/zinc/59/28/14/780592814.db2.gz AVWLJBMDFSRUDC-GTPINHCMSA-N 2 0 294.483 2.996 20 0 CFADRP CN1CCC[C@@H]2C[N@@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]21 ZINC001168742779 780599614 /nfs/dbraw/zinc/59/96/14/780599614.db2.gz GKZHXDKOGCBJMC-KEYYUXOJSA-N 2 0 290.838 2.833 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc[nH]c2=O)CC1 ZINC001241121493 780649974 /nfs/dbraw/zinc/64/99/74/780649974.db2.gz NAHLSNRWKCPKEV-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP C[N@H+]1CC=C(c2cnccc2C[NH+]2CCCCC2)CC1 ZINC001241331459 780784856 /nfs/dbraw/zinc/78/48/56/780784856.db2.gz AVRTYIUCGBNVNO-UHFFFAOYSA-N 2 0 271.408 2.786 20 0 CFADRP C[N@H+]1CC=C(c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)CC1 ZINC001241330235 780784905 /nfs/dbraw/zinc/78/49/05/780784905.db2.gz LUDKAIJVLYMLHH-UHFFFAOYSA-N 3 0 299.462 2.576 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2cncs2)CC1 ZINC001241499235 780944416 /nfs/dbraw/zinc/94/44/16/780944416.db2.gz GZCZGAYRRFNKQZ-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2cccc(CO)c2)CC1 ZINC001241511418 780951581 /nfs/dbraw/zinc/95/15/81/780951581.db2.gz ZJHFKRRERHGZAM-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc(C[NH+]3CCCCC3)cn2)C1 ZINC001241572194 780989476 /nfs/dbraw/zinc/98/94/76/780989476.db2.gz SRTVENHKHXNTBB-UHFFFAOYSA-N 2 0 271.408 2.786 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1csc3ccccc13)C2 ZINC000703538527 781027534 /nfs/dbraw/zinc/02/75/34/781027534.db2.gz OHKXDDCYLUZVGI-XJKSGUPXSA-N 2 0 272.417 2.943 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000703580735 781035562 /nfs/dbraw/zinc/03/55/62/781035562.db2.gz FQRMMKPEMORUKQ-HYVNUMGLSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(C3CC3)c1)C2 ZINC000703566143 781037368 /nfs/dbraw/zinc/03/73/68/781037368.db2.gz GIMHRUGASLDXKR-DLBZAZTESA-N 2 0 256.393 2.605 20 0 CFADRP CC(C)[N@H+](C)CCCNCc1ccc(Cl)cn1 ZINC000703895029 781074990 /nfs/dbraw/zinc/07/49/90/781074990.db2.gz SPQVTKUCDHIGLB-UHFFFAOYSA-N 2 0 255.793 2.555 20 0 CFADRP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC001118020776 781090758 /nfs/dbraw/zinc/09/07/58/781090758.db2.gz YEYQSFYIWQLDTJ-CYBMUJFWSA-N 2 0 280.412 2.570 20 0 CFADRP COCCC1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000704215096 781092015 /nfs/dbraw/zinc/09/20/15/781092015.db2.gz KTMAOZXKYBKDAV-UHFFFAOYSA-N 2 0 256.434 2.644 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000704777758 781116379 /nfs/dbraw/zinc/11/63/79/781116379.db2.gz VDTWAENLDMXLAN-KBXIAJHMSA-N 2 0 268.470 2.640 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCSC2)c2ccccc21 ZINC000704800129 781119853 /nfs/dbraw/zinc/11/98/53/781119853.db2.gz VINITJCUPMXLOB-NILFDRSVSA-N 2 0 262.422 2.864 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCCO1 ZINC000705968761 781154526 /nfs/dbraw/zinc/15/45/26/781154526.db2.gz CDDNSQOQBLMIIE-UKRRQHHQSA-N 2 0 268.445 2.797 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2cnn(C3CC3)c2)CC1 ZINC001241909608 781174758 /nfs/dbraw/zinc/17/47/58/781174758.db2.gz PGUQDSRGXXSXGD-UHFFFAOYSA-N 2 0 296.418 2.808 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCCC23CC3)c2c(c1)C[NH2+]CC2 ZINC000706612544 781191680 /nfs/dbraw/zinc/19/16/80/781191680.db2.gz OGBHDDBSUSFOJB-MRXNPFEDSA-N 2 0 256.393 2.755 20 0 CFADRP COc1ccncc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242060592 781254242 /nfs/dbraw/zinc/25/42/42/781254242.db2.gz MFRJYPINDMIBER-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP [NH3+]Cc1ccc(-c2cccc(C[NH+]3CCCC3)c2)cn1 ZINC001242118647 781289085 /nfs/dbraw/zinc/28/90/85/781289085.db2.gz URPCGBUJYNALQC-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP C[N@H+](C[C@H]1CC(C)(C)OC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709702105 781301804 /nfs/dbraw/zinc/30/18/04/781301804.db2.gz KHACABSCUPVTMI-JKXDFHQYSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCC(F)(F)CC1)[NH2+]2 ZINC000709353686 781309607 /nfs/dbraw/zinc/30/96/07/781309607.db2.gz OJSCDNLUDUHMAH-FTYKPCCVSA-N 2 0 258.356 2.683 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)S3)[NH2+]2 ZINC000709451399 781311568 /nfs/dbraw/zinc/31/15/68/781311568.db2.gz MZHSMDYIZMCAPF-IXKDBZIPSA-N 2 0 266.454 2.532 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C12CCC2 ZINC000710559069 781318452 /nfs/dbraw/zinc/31/84/52/781318452.db2.gz JQZCOHZLEZOQGB-NEPJUHHUSA-N 2 0 258.356 2.671 20 0 CFADRP COc1cccc(C[N@H+](C)CCCCCC[NH3+])c1OC ZINC000710682767 781334952 /nfs/dbraw/zinc/33/49/52/781334952.db2.gz ARPQWFNFPDLFLR-UHFFFAOYSA-N 2 0 280.412 2.655 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCOc1ccccc1 ZINC000710764275 781338455 /nfs/dbraw/zinc/33/84/55/781338455.db2.gz DKPQFEADNUIADV-UHFFFAOYSA-N 2 0 250.386 2.516 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(F)c(F)c1 ZINC000710782250 781339495 /nfs/dbraw/zinc/33/94/95/781339495.db2.gz SGGIQBCWSVJGQC-UHFFFAOYSA-N 2 0 256.340 2.916 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCS1 ZINC000710839284 781341640 /nfs/dbraw/zinc/34/16/40/781341640.db2.gz OSDVVOMLIRSLAS-NSHDSACASA-N 2 0 282.478 2.721 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001168762965 781493635 /nfs/dbraw/zinc/49/36/35/781493635.db2.gz CDLOTRZTIZAWBR-UHFFFAOYSA-N 2 0 290.333 2.682 20 0 CFADRP Cc1ccc(N(CCC[NH3+])C(C)C)c(C[NH+](C)C)c1 ZINC001164129027 781673456 /nfs/dbraw/zinc/67/34/56/781673456.db2.gz UOSNQZSLOUAWMK-UHFFFAOYSA-N 2 0 263.429 2.620 20 0 CFADRP C[NH+](C)Cc1c[nH]c2nccc(-c3ccc4c(c3)C[NH2+]C4)c12 ZINC001242677242 781692917 /nfs/dbraw/zinc/69/29/17/781692917.db2.gz WTEZRBRFMITPDR-UHFFFAOYSA-N 2 0 292.386 2.895 20 0 CFADRP [NH3+]Cc1cccc(C2=CC[C@H]([NH+]3CCCC3)CC2)n1 ZINC001242689150 781698041 /nfs/dbraw/zinc/69/80/41/781698041.db2.gz WWRQMUUTVGYVML-HNNXBMFYSA-N 2 0 257.381 2.572 20 0 CFADRP C[NH+]1CCC(n2cc(-c3ccc(C4([NH3+])CC4)cc3)cn2)CC1 ZINC001242727523 781724821 /nfs/dbraw/zinc/72/48/21/781724821.db2.gz AHANCQYIZOYMFE-UHFFFAOYSA-N 2 0 296.418 2.765 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242729131 781726228 /nfs/dbraw/zinc/72/62/28/781726228.db2.gz LLPLJFBYXZZHHE-CYBMUJFWSA-N 2 0 284.407 2.837 20 0 CFADRP C[NH+]1CCC(n2cc(-c3cccc4c3CC[C@H]4[NH3+])cn2)CC1 ZINC001242730207 781726858 /nfs/dbraw/zinc/72/68/58/781726858.db2.gz BQNZMPKOHUHHLG-GOSISDBHSA-N 2 0 296.418 2.763 20 0 CFADRP C[NH2+]Cc1ccc(-c2cccc(C[NH+](C)C)n2)cc1 ZINC001242990828 781902915 /nfs/dbraw/zinc/90/29/15/781902915.db2.gz CMIAQFCPFKONSM-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP C[NH2+]Cc1ccc(-c2[nH+]ccc3c2ccn3C)cc1 ZINC001242991162 781903739 /nfs/dbraw/zinc/90/37/39/781903739.db2.gz YVXACIWQNUUGMT-UHFFFAOYSA-N 2 0 251.333 2.960 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001242993959 781907800 /nfs/dbraw/zinc/90/78/00/781907800.db2.gz LPJBWDARKCFDBQ-GOSISDBHSA-N 2 0 282.387 2.814 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@@H](C)SC2)CC[NH+](C)CC1 ZINC000594525789 349441741 /nfs/dbraw/zinc/44/17/41/349441741.db2.gz ZXRLIAKZDRQFOT-CHWSQXEVSA-N 2 0 288.526 2.688 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127716557 187328681 /nfs/dbraw/zinc/32/86/81/187328681.db2.gz XJOQDDCHXOAUHS-CHWSQXEVSA-N 2 0 250.411 2.507 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127725873 187329587 /nfs/dbraw/zinc/32/95/87/187329587.db2.gz PCAGLLGNDGZKRW-RHSMWYFYSA-N 2 0 293.430 2.502 20 0 CFADRP COC[C@H](C)[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000124731807 187151261 /nfs/dbraw/zinc/15/12/61/187151261.db2.gz MHILBGMEGDHDGU-MNTYIPCHSA-N 2 0 290.451 2.768 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)s1 ZINC000127818409 187334256 /nfs/dbraw/zinc/33/42/56/187334256.db2.gz PPSBGZYSTCVOFP-ZIAGYGMSSA-N 2 0 295.496 2.597 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595016200 349551203 /nfs/dbraw/zinc/55/12/03/349551203.db2.gz IGJSDUXMCTUFSX-GJZGRUSLSA-N 2 0 298.471 2.676 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000595065894 349572331 /nfs/dbraw/zinc/57/23/31/349572331.db2.gz FXEDAHCAYHBETK-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CSCC1(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000595076229 349575240 /nfs/dbraw/zinc/57/52/40/349575240.db2.gz YPCAVMRPARKCNT-ZDUSSCGKSA-N 2 0 270.486 2.840 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450410504 282135922 /nfs/dbraw/zinc/13/59/22/282135922.db2.gz ZBERRRNOWQQNPC-OLZOCXBDSA-N 2 0 260.372 2.695 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000127818889 187334782 /nfs/dbraw/zinc/33/47/82/187334782.db2.gz PPSBGZYSTCVOFP-UONOGXRCSA-N 2 0 295.496 2.597 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125369473 187181628 /nfs/dbraw/zinc/18/16/28/187181628.db2.gz MXVHUXMRKKGCKN-UAGQMJEPSA-N 2 0 258.409 2.863 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125370462 187181730 /nfs/dbraw/zinc/18/17/30/187181730.db2.gz IZWAKQVVOPFNNB-BBWFWOEESA-N 2 0 258.409 2.808 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000125493912 187187895 /nfs/dbraw/zinc/18/78/95/187187895.db2.gz ZMYFOOWLYUWMJY-HNNXBMFYSA-N 2 0 269.392 2.618 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000300096292 293097204 /nfs/dbraw/zinc/09/72/04/293097204.db2.gz FNLRASGGQSNQBC-FXUDXRNXSA-N 2 0 270.461 2.791 20 0 CFADRP CCC(CC)[N@H+](CCOC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000232902976 282184261 /nfs/dbraw/zinc/18/42/61/282184261.db2.gz WJTAGFOGLYEOCF-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(F)c1 ZINC000422845010 529494738 /nfs/dbraw/zinc/49/47/38/529494738.db2.gz AQFZFJVUMHPQJF-JSGCOSHPSA-N 2 0 268.376 2.700 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000070171004 346906461 /nfs/dbraw/zinc/90/64/61/346906461.db2.gz GELJVLOQHJKXEK-LLVKDONJSA-N 2 0 296.798 2.630 20 0 CFADRP COc1cccc([C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000070183659 346907097 /nfs/dbraw/zinc/90/70/97/346907097.db2.gz OWCSPOSJWDMCBN-CYBMUJFWSA-N 2 0 262.397 2.817 20 0 CFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070187470 346907212 /nfs/dbraw/zinc/90/72/12/346907212.db2.gz GHLXVQVEXSLUJM-GFCCVEGCSA-N 2 0 250.361 2.948 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414821269 529539836 /nfs/dbraw/zinc/53/98/36/529539836.db2.gz ASPTXPHYZDRWNX-SJORKVTESA-N 2 0 260.425 2.905 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000070188101 346907900 /nfs/dbraw/zinc/90/79/00/346907900.db2.gz RLBQKBQFRGCKMX-UHFFFAOYSA-N 2 0 285.391 2.902 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCC[C@H]3[NH3+])c[nH]c21 ZINC000422907430 529553944 /nfs/dbraw/zinc/55/39/44/529553944.db2.gz BRVJWGPAHYTFAG-HZPDHXFCSA-N 2 0 271.408 2.742 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000423391244 529591885 /nfs/dbraw/zinc/59/18/85/529591885.db2.gz NKRYKSDSNOIHJG-INIZCTEOSA-N 2 0 276.424 2.744 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423342352 529593043 /nfs/dbraw/zinc/59/30/43/529593043.db2.gz KVJLHMSWBAWHSG-HNNXBMFYSA-N 2 0 266.335 2.925 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423104913 529607288 /nfs/dbraw/zinc/60/72/88/529607288.db2.gz QPTNACCPLDJGJL-RDJZCZTQSA-N 2 0 271.408 2.831 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000070984222 346919034 /nfs/dbraw/zinc/91/90/34/346919034.db2.gz IGTGXYWOFVIEFP-UHFFFAOYSA-N 2 0 280.387 2.655 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)Cc1cc(F)cc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423162432 529650376 /nfs/dbraw/zinc/65/03/76/529650376.db2.gz LFXLJHBEPFSWLY-ZLIFDBKOSA-N 2 0 294.414 2.886 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000422867177 529656176 /nfs/dbraw/zinc/65/61/76/529656176.db2.gz RTFLGOIOJFVQHM-BXUZGUMPSA-N 2 0 252.427 2.788 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423112378 529665356 /nfs/dbraw/zinc/66/53/56/529665356.db2.gz XJHMRAHQXBPGMS-BZPMIXESSA-N 2 0 280.412 2.870 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422951509 529671006 /nfs/dbraw/zinc/67/10/06/529671006.db2.gz YVGGZHGPBKTBBM-KKUMJFAQSA-N 2 0 290.407 2.626 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]CC1=CCCOC1 ZINC000126288359 187230470 /nfs/dbraw/zinc/23/04/70/187230470.db2.gz YFYCUYBKWNQJQM-UHFFFAOYSA-N 2 0 286.419 2.719 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000126471912 187241736 /nfs/dbraw/zinc/24/17/36/187241736.db2.gz VWYAJZTYZXRHNU-UHFFFAOYSA-N 2 0 288.435 2.963 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000335181744 282251819 /nfs/dbraw/zinc/25/18/19/282251819.db2.gz OUAYHVDAHVDLMQ-CHWSQXEVSA-N 2 0 270.380 2.949 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000423248817 529706577 /nfs/dbraw/zinc/70/65/77/529706577.db2.gz NWYCWVPTDDLWMK-NEPJUHHUSA-N 2 0 252.427 2.961 20 0 CFADRP C[C@@H](C[NH2+]CCCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000295002696 199294334 /nfs/dbraw/zinc/29/43/34/199294334.db2.gz IIGASUFEBFQPDX-LBPRGKRZSA-N 2 0 270.367 3.000 20 0 CFADRP CCC(CC)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422821623 282276756 /nfs/dbraw/zinc/27/67/56/282276756.db2.gz XNQFFJFXQZJNAA-DZKIICNBSA-N 2 0 269.477 2.602 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000423248818 529721285 /nfs/dbraw/zinc/72/12/85/529721285.db2.gz NWYCWVPTDDLWMK-NWDGAFQWSA-N 2 0 252.427 2.961 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423183158 529722557 /nfs/dbraw/zinc/72/25/57/529722557.db2.gz RJZHSBKZNQDZLK-SFHVURJKSA-N 2 0 289.467 2.585 20 0 CFADRP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC(C)(C)C1 ZINC000668236335 539340077 /nfs/dbraw/zinc/34/00/77/539340077.db2.gz IDAOBRWSDNMKHG-UHFFFAOYSA-N 2 0 270.380 2.888 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789219 529794387 /nfs/dbraw/zinc/79/43/87/529794387.db2.gz YAWZAHANTMUAHT-HZPDHXFCSA-N 2 0 287.451 2.574 20 0 CFADRP C[C@H]1C[C@@H](N(C)CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000295069448 199329147 /nfs/dbraw/zinc/32/91/47/199329147.db2.gz QBZCIKDGYMSRAK-WMZOPIPTSA-N 2 0 289.467 2.533 20 0 CFADRP CSC1(CNc2[nH+]ccc3[nH]ccc32)CC[NH+](C)CC1 ZINC000596239212 349836653 /nfs/dbraw/zinc/83/66/53/349836653.db2.gz ZNQJMOLWOSHIBW-UHFFFAOYSA-N 2 0 290.436 2.802 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)N1CCC(C)CC1 ZINC000348088754 539368160 /nfs/dbraw/zinc/36/81/60/539368160.db2.gz SYRKICOPAFWAFK-VNQPRFMTSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000422702931 529918006 /nfs/dbraw/zinc/91/80/06/529918006.db2.gz LUCWZEKKMWPYJY-ROUUACIJSA-N 2 0 287.451 2.985 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cc2ccccc2o1 ZINC000420302079 529932253 /nfs/dbraw/zinc/93/22/53/529932253.db2.gz LZMALCNCZYMNDL-CYBMUJFWSA-N 2 0 258.365 2.864 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)C[NH+]1CCCCC1 ZINC000348100160 539383529 /nfs/dbraw/zinc/38/35/29/539383529.db2.gz FDCKMOGZABBILJ-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000120393679 539384371 /nfs/dbraw/zinc/38/43/71/539384371.db2.gz XHQLJIKDIKVEDS-OAHLLOKOSA-N 2 0 270.486 2.982 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348108082 539386439 /nfs/dbraw/zinc/38/64/39/539386439.db2.gz WUKYFXSPUGBLDZ-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1OC ZINC000562956136 290085098 /nfs/dbraw/zinc/08/50/98/290085098.db2.gz GGBJPUCCJRMDKO-ZDUSSCGKSA-N 2 0 280.412 2.743 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000562962297 290086438 /nfs/dbraw/zinc/08/64/38/290086438.db2.gz MWXODOGRWPRVKC-YUTCNCBUSA-N 2 0 278.444 2.867 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348297573 539390827 /nfs/dbraw/zinc/39/08/27/539390827.db2.gz ZRPDWGLNHGSFJX-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423274914 529986332 /nfs/dbraw/zinc/98/63/32/529986332.db2.gz MNDYWRRBHZCBGY-WBMJQRKESA-N 2 0 262.397 2.518 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423274003 529999066 /nfs/dbraw/zinc/99/90/66/529999066.db2.gz LOEOJCAWJQBVPD-QWRGUYRKSA-N 2 0 252.427 2.743 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414852306 529999250 /nfs/dbraw/zinc/99/92/50/529999250.db2.gz QTHDNRWGZQNZHW-UAGQMJEPSA-N 2 0 260.425 2.942 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423266181 529999382 /nfs/dbraw/zinc/99/93/82/529999382.db2.gz CYSOOQZZGJNARP-IMJJTQAJSA-N 2 0 276.424 2.678 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414832089 529999518 /nfs/dbraw/zinc/99/95/18/529999518.db2.gz DSJXUKUHHLCABF-APHBMKBZSA-N 2 0 264.388 2.907 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000414491223 530042627 /nfs/dbraw/zinc/04/26/27/530042627.db2.gz SVIOUXVKJXTSSY-ZDUSSCGKSA-N 2 0 288.395 2.892 20 0 CFADRP CCC1(CC)C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000414757866 282372984 /nfs/dbraw/zinc/37/29/84/282372984.db2.gz LWXZMDDFVDPNKM-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000116916518 232196005 /nfs/dbraw/zinc/19/60/05/232196005.db2.gz MHBPVYJYQFVIAZ-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP Cc1ccc(OCCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000131769452 232206911 /nfs/dbraw/zinc/20/69/11/232206911.db2.gz PMUHASIVZQTBBX-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1cccs1 ZINC000167447677 232261302 /nfs/dbraw/zinc/26/13/02/232261302.db2.gz YNOGIFJCEAADCF-IHRRRGAJSA-N 2 0 266.454 2.999 20 0 CFADRP c1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000124008903 539514158 /nfs/dbraw/zinc/51/41/58/539514158.db2.gz GTIYJDZRMAPTHV-GJZGRUSLSA-N 2 0 256.393 2.564 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123885537 539512675 /nfs/dbraw/zinc/51/26/75/539512675.db2.gz JOVJTGFIQSTWML-KBPBESRZSA-N 2 0 258.409 2.810 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3CCC3)CC2)C[C@@H](C)O1 ZINC000177506803 232361621 /nfs/dbraw/zinc/36/16/21/232361621.db2.gz RBVJMNBHUGRUIH-HZPDHXFCSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H](CCO)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090187953 539527183 /nfs/dbraw/zinc/52/71/83/539527183.db2.gz LYHOKGRSJNKRDV-RDJZCZTQSA-N 2 0 290.451 2.648 20 0 CFADRP c1ccc(C(c2ccccc2)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320601 539528411 /nfs/dbraw/zinc/52/84/11/539528411.db2.gz GEIOVLGODYHJOG-HDICACEKSA-N 2 0 278.399 2.927 20 0 CFADRP COc1cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1 ZINC000040622168 346346766 /nfs/dbraw/zinc/34/67/66/346346766.db2.gz CBLABKZNHDBOCG-AWEZNQCLSA-N 2 0 292.423 2.524 20 0 CFADRP CCSC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000596649626 349968548 /nfs/dbraw/zinc/96/85/48/349968548.db2.gz DEEWQIQMIUZNBB-DZGCQCFKSA-N 2 0 278.465 2.820 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cc(N)ccc2O1 ZINC000563423210 290148533 /nfs/dbraw/zinc/14/85/33/290148533.db2.gz DYAYEWVJJQMFQQ-ZLDLUXBVSA-N 2 0 289.423 2.731 20 0 CFADRP C[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)S1 ZINC000563616264 290163775 /nfs/dbraw/zinc/16/37/75/290163775.db2.gz YUBQQJMDIMIGAQ-SCRDCRAPSA-N 2 0 282.428 2.694 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2sc(C)nc2C)CC1 ZINC000080694497 347376327 /nfs/dbraw/zinc/37/63/27/347376327.db2.gz MASFDPVOQKTIKC-UHFFFAOYSA-N 2 0 267.442 2.581 20 0 CFADRP CN1CC(C[N@H+](C)Cc2cc(Br)cs2)C1 ZINC000668537693 539562386 /nfs/dbraw/zinc/56/23/86/539562386.db2.gz LIRXYZQJDZFNJA-UHFFFAOYSA-N 2 0 289.242 2.504 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1 ZINC000216171315 539565035 /nfs/dbraw/zinc/56/50/35/539565035.db2.gz NOVWARPFQFWTQX-NWDGAFQWSA-N 2 0 268.401 2.587 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000091333289 347582250 /nfs/dbraw/zinc/58/22/50/347582250.db2.gz ODECSIJCAABNCJ-MRXNPFEDSA-N 2 0 261.413 2.710 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000091670363 347594799 /nfs/dbraw/zinc/59/47/99/347594799.db2.gz PWRDJEASORIQBN-RDJZCZTQSA-N 2 0 258.409 2.816 20 0 CFADRP COc1ccsc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381017 347622054 /nfs/dbraw/zinc/62/20/54/347622054.db2.gz LZYINAIABKSFCE-UHFFFAOYSA-N 2 0 282.453 2.920 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000092471538 347627679 /nfs/dbraw/zinc/62/76/79/347627679.db2.gz MSDRAVUEVNNHPC-MRXNPFEDSA-N 2 0 287.451 2.670 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C1CC1)C1CC1 ZINC000093461749 347675319 /nfs/dbraw/zinc/67/53/19/347675319.db2.gz NKWNNKZCSLHQQK-BHYGNILZSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000094010004 347689740 /nfs/dbraw/zinc/68/97/40/347689740.db2.gz PZVBBDDRRDCAEQ-LLVKDONJSA-N 2 0 284.350 2.938 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093213317 347665686 /nfs/dbraw/zinc/66/56/86/347665686.db2.gz FRRIHKMRDIFPIG-DRZSPHRISA-N 2 0 266.360 2.755 20 0 CFADRP c1ccc2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccnc2c1 ZINC000113650311 347767890 /nfs/dbraw/zinc/76/78/90/347767890.db2.gz LOFIPFVASUCVGO-HZPDHXFCSA-N 2 0 281.403 2.951 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000124555664 347825143 /nfs/dbraw/zinc/82/51/43/347825143.db2.gz ZRPMRNPBTRRJBH-AAEUAGOBSA-N 2 0 268.788 2.530 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000124555261 347825177 /nfs/dbraw/zinc/82/51/77/347825177.db2.gz ZRPMRNPBTRRJBH-WCQYABFASA-N 2 0 268.788 2.530 20 0 CFADRP C[C@H](CO)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411525691 232763845 /nfs/dbraw/zinc/76/38/45/232763845.db2.gz CLRZLASKOFYPEU-CVEARBPZSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000131511379 347878854 /nfs/dbraw/zinc/87/88/54/347878854.db2.gz CNRMBKSRPIBUFZ-DOMZBBRYSA-N 2 0 255.365 2.546 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163428845 348033112 /nfs/dbraw/zinc/03/31/12/348033112.db2.gz QLARAQPPXXEEHI-GOEBONIOSA-N 2 0 276.424 2.892 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CCCOCC1)Cc1ccccc1 ZINC000086869570 179363348 /nfs/dbraw/zinc/36/33/48/179363348.db2.gz FOONPZUQLUSWFA-QGZVFWFLSA-N 2 0 276.424 2.667 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000226344011 348182767 /nfs/dbraw/zinc/18/27/67/348182767.db2.gz CZTVCCDTDSKEGV-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000235389204 348227053 /nfs/dbraw/zinc/22/70/53/348227053.db2.gz AYWPNOMERVLVGJ-CWRNSKLLSA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)C1 ZINC000245902983 348258735 /nfs/dbraw/zinc/25/87/35/348258735.db2.gz OEWLKSPJPPUCEK-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000235902206 348229905 /nfs/dbraw/zinc/22/99/05/348229905.db2.gz ATKINQBKJIVPKK-UHFFFAOYSA-N 2 0 250.361 2.695 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251696974 348293141 /nfs/dbraw/zinc/29/31/41/348293141.db2.gz MPSFJBQQJKERKN-WXHSDQCUSA-N 2 0 282.334 2.500 20 0 CFADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000249875395 348285335 /nfs/dbraw/zinc/28/53/35/348285335.db2.gz IAIYCAJBKGIATB-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP C[NH+](C/C=C\C[N@@H+](C)Cc1ccco1)Cc1ccco1 ZINC000255563680 348304115 /nfs/dbraw/zinc/30/41/15/348304115.db2.gz PWTVEDDPYAJFDY-ARJAWSKDSA-N 2 0 274.364 2.993 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000311898588 348415409 /nfs/dbraw/zinc/41/54/09/348415409.db2.gz BXMIGNGAPWJLMS-CQSZACIVSA-N 2 0 264.413 2.763 20 0 CFADRP CC(C)CC1(C[NH2+]C[C@@H](O)CN(C)C2CC2)CCCC1 ZINC000312436801 348417994 /nfs/dbraw/zinc/41/79/94/348417994.db2.gz SVWVSZWBBFWXDD-MRXNPFEDSA-N 2 0 282.472 2.638 20 0 CFADRP CCc1cnc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000130670381 539643737 /nfs/dbraw/zinc/64/37/37/539643737.db2.gz TWDLNCLZSRFRTD-NSHDSACASA-N 2 0 267.442 2.525 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000222018051 539652281 /nfs/dbraw/zinc/65/22/81/539652281.db2.gz OOVNNYKFSCOPIU-YUELXQCFSA-N 2 0 264.438 2.896 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000396444750 348557753 /nfs/dbraw/zinc/55/77/53/348557753.db2.gz CRGYTIHXBOPAOJ-ZIAGYGMSSA-N 2 0 271.408 2.939 20 0 CFADRP CC(C)CSCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000397435900 348561321 /nfs/dbraw/zinc/56/13/21/348561321.db2.gz GNYKKOOVAFSCRF-CYBMUJFWSA-N 2 0 258.475 2.696 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400050021 348570625 /nfs/dbraw/zinc/57/06/25/348570625.db2.gz BKAGAESGMHNFDJ-OPKDVZQQSA-N 2 0 250.430 2.743 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000584774780 348714910 /nfs/dbraw/zinc/71/49/10/348714910.db2.gz MIHSNABZMLVDQB-NWANDNLSSA-N 2 0 291.443 2.533 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000588177948 348777519 /nfs/dbraw/zinc/77/75/19/348777519.db2.gz YUPOGMXNRSKMMQ-GGVHLCNSSA-N 2 0 286.419 2.925 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000230987477 539663483 /nfs/dbraw/zinc/66/34/83/539663483.db2.gz PRFZQRCNNAGIAL-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1noc(C)c1[C@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000092332030 539676285 /nfs/dbraw/zinc/67/62/85/539676285.db2.gz QINBVTZKOHUUEP-SMDDNHRTSA-N 2 0 265.401 2.816 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cnc(C)s2)CC[NH+](C)CC1 ZINC000589349617 348828525 /nfs/dbraw/zinc/82/85/25/348828525.db2.gz OSTRPNNSBXMBDB-NSHDSACASA-N 2 0 299.509 2.930 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000666645107 539670212 /nfs/dbraw/zinc/67/02/12/539670212.db2.gz LPZYGNWQPXHYFN-KRWDZBQOSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000128981269 187403377 /nfs/dbraw/zinc/40/33/77/187403377.db2.gz GPUJLBRCCNOJKI-ZYHUDNBSSA-N 2 0 254.324 2.758 20 0 CFADRP CN1CCC[C@@H](C[N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC000591084532 348985271 /nfs/dbraw/zinc/98/52/71/348985271.db2.gz QDVBUKWDQDLFSE-PBHICJAKSA-N 2 0 258.409 2.948 20 0 CFADRP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591083192 348985326 /nfs/dbraw/zinc/98/53/26/348985326.db2.gz QTBIMNVDCNACJF-HOCLYGCPSA-N 2 0 298.390 2.547 20 0 CFADRP Fc1cccc(CN2CCC[C@@H](n3ccnc3)C2)c1F ZINC000591082295 348985791 /nfs/dbraw/zinc/98/57/91/348985791.db2.gz DVPPFDCFMDKTIF-CYBMUJFWSA-N 2 0 277.318 2.998 20 0 CFADRP Clc1ccccc1SCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000590783886 348948951 /nfs/dbraw/zinc/94/89/51/348948951.db2.gz DKFORJTWCMJSGJ-STQMWFEESA-N 2 0 296.867 2.973 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591869474 349052828 /nfs/dbraw/zinc/05/28/28/349052828.db2.gz YPIKASOVLIGZAS-DZGCQCFKSA-N 2 0 256.353 2.676 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1 ZINC000414114662 233170330 /nfs/dbraw/zinc/17/03/30/233170330.db2.gz ZRKAPAYVBAVRTM-AWEZNQCLSA-N 2 0 274.408 2.916 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000591579992 349031650 /nfs/dbraw/zinc/03/16/50/349031650.db2.gz DNEPUQVWWLKWNY-JXQTWKCFSA-N 2 0 268.470 2.640 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)nc1C ZINC000414171476 233186041 /nfs/dbraw/zinc/18/60/41/233186041.db2.gz UZFSGZVOQGZYIW-BRWVUGGUSA-N 2 0 273.424 2.661 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(O)c1 ZINC000414181777 233188800 /nfs/dbraw/zinc/18/88/00/233188800.db2.gz MWNLKVWELQHYBB-KBPBESRZSA-N 2 0 262.397 2.775 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000414185549 233190404 /nfs/dbraw/zinc/19/04/04/233190404.db2.gz OZZSBBGPGCLGEW-NEPJUHHUSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414194564 233193148 /nfs/dbraw/zinc/19/31/48/233193148.db2.gz UKUZXBYBCFUGMP-CHWSQXEVSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H]1C[C@@H](Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000127857735 539729788 /nfs/dbraw/zinc/72/97/88/539729788.db2.gz BDRCPFGPUNFLRU-BBRMVZONSA-N 2 0 261.413 2.643 20 0 CFADRP COC1([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000414301075 233219646 /nfs/dbraw/zinc/21/96/46/233219646.db2.gz JMMCCGRJMVCRDO-ZDUSSCGKSA-N 2 0 268.445 2.797 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593318780 349246752 /nfs/dbraw/zinc/24/67/52/349246752.db2.gz HHXUKJNROOAUJB-GJZGRUSLSA-N 2 0 296.455 2.607 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000305766451 539733957 /nfs/dbraw/zinc/73/39/57/539733957.db2.gz HLVFFHAHCCUZQT-QGZVFWFLSA-N 2 0 282.472 2.782 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000597254934 350073517 /nfs/dbraw/zinc/07/35/17/350073517.db2.gz DTNDSUBMFVYBAN-QLFBSQMISA-N 2 0 268.470 2.592 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090714545 180028926 /nfs/dbraw/zinc/02/89/26/180028926.db2.gz RAHBJUWITVDBSO-DLBZAZTESA-N 2 0 274.408 2.549 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414502841 233274163 /nfs/dbraw/zinc/27/41/63/233274163.db2.gz VFKYDPBINWHWMY-SMDDNHRTSA-N 2 0 288.420 2.559 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000090720487 180030446 /nfs/dbraw/zinc/03/04/46/180030446.db2.gz ALXUYVAAOFDZGQ-GXTWGEPZSA-N 2 0 257.381 2.740 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414594700 233299924 /nfs/dbraw/zinc/29/99/24/233299924.db2.gz SFRABKXLEZUHED-HZPDHXFCSA-N 2 0 294.358 2.814 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414673735 233322566 /nfs/dbraw/zinc/32/25/66/233322566.db2.gz JPEGSELWGLLMGR-KBAYOESNSA-N 2 0 272.436 2.939 20 0 CFADRP Cc1ccccc1N1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414677792 233322967 /nfs/dbraw/zinc/32/29/67/233322967.db2.gz JRSSVWRQSHYQMN-IRXDYDNUSA-N 2 0 287.451 2.505 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414690129 233327613 /nfs/dbraw/zinc/32/76/13/233327613.db2.gz HEYUVLWNPPPACP-MGPQQGTHSA-N 2 0 262.397 2.773 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(Cc3cccnc3)CC2)CC[NH2+]1 ZINC000414748892 233342759 /nfs/dbraw/zinc/34/27/59/233342759.db2.gz XNPYWIWUFIWXLF-CRAIPNDOSA-N 2 0 287.451 2.724 20 0 CFADRP COC1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000414797059 233355004 /nfs/dbraw/zinc/35/50/04/233355004.db2.gz AOQRDTRNFSNYJY-UHFFFAOYSA-N 2 0 268.445 2.846 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414800794 233355654 /nfs/dbraw/zinc/35/56/54/233355654.db2.gz LKVAAAXRBAPRJT-IRXDYDNUSA-N 2 0 288.435 2.661 20 0 CFADRP FC(F)(F)c1cccnc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762432 233344426 /nfs/dbraw/zinc/34/44/26/233344426.db2.gz AKVMESCPOLAADE-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP FC(F)Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414764961 233344882 /nfs/dbraw/zinc/34/48/82/233344882.db2.gz FNYWMMYLFCUUKO-OKILXGFUSA-N 2 0 296.361 2.719 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC2CCCCC2)CC1 ZINC000414768630 233345504 /nfs/dbraw/zinc/34/55/04/233345504.db2.gz IPWZPDBKFCLXHL-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000414788114 233350437 /nfs/dbraw/zinc/35/04/37/233350437.db2.gz WGTGQBPXUIZKSZ-IAGOWNOFSA-N 2 0 288.435 2.825 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000414791137 233352407 /nfs/dbraw/zinc/35/24/07/233352407.db2.gz AZCTVJMJKHCQMV-LSDHHAIUSA-N 2 0 264.438 2.637 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000414792334 233353586 /nfs/dbraw/zinc/35/35/86/233353586.db2.gz CDHGXVUBFJXLAG-ZANVPECISA-N 2 0 256.752 2.696 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000414792489 233353622 /nfs/dbraw/zinc/35/36/22/233353622.db2.gz IZOHGTYJTVOHPX-HUUCEWRRSA-N 2 0 291.439 2.593 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000414807492 233359512 /nfs/dbraw/zinc/35/95/12/233359512.db2.gz RBNMVEVNKCDELE-XPTSAGLGSA-N 2 0 272.314 2.711 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480811 186061415 /nfs/dbraw/zinc/06/14/15/186061415.db2.gz IYTDMEKCEBHGJD-WMLDXEAASA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000414811815 233362663 /nfs/dbraw/zinc/36/26/63/233362663.db2.gz WQOPTAYCCHQNAX-KYOSRNDESA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414818088 233364854 /nfs/dbraw/zinc/36/48/54/233364854.db2.gz CRTQMUUXJLBPKA-GLQYFDAESA-N 2 0 250.361 2.789 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825224 233366972 /nfs/dbraw/zinc/36/69/72/233366972.db2.gz CAGDHUGULQUYLE-INIZCTEOSA-N 2 0 298.434 2.578 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000414823390 233367113 /nfs/dbraw/zinc/36/71/13/233367113.db2.gz DDGYGDDKIARFRU-QQHVMHFCSA-N 2 0 266.335 2.567 20 0 CFADRP CCOc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000105454952 186057661 /nfs/dbraw/zinc/05/76/61/186057661.db2.gz UAJYGSBDBBEPLW-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP Fc1ccc2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)sc2c1 ZINC000414838204 233372304 /nfs/dbraw/zinc/37/23/04/233372304.db2.gz KZOMROWFNWBMPP-NSHDSACASA-N 2 0 293.411 2.915 20 0 CFADRP c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414841683 233374733 /nfs/dbraw/zinc/37/47/33/233374733.db2.gz YMMNKINFPZYYRW-XIRDDKMYSA-N 2 0 258.409 2.912 20 0 CFADRP c1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000414842804 233374953 /nfs/dbraw/zinc/37/49/53/233374953.db2.gz ZNKRLFXIFXEZMT-HNNXBMFYSA-N 2 0 281.403 2.838 20 0 CFADRP c1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414841680 233375109 /nfs/dbraw/zinc/37/51/09/233375109.db2.gz YMMNKINFPZYYRW-HYVNUMGLSA-N 2 0 258.409 2.912 20 0 CFADRP FC(F)(F)c1cnc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000414845780 233375821 /nfs/dbraw/zinc/37/58/21/233375821.db2.gz SSZRAHYEKHYVPQ-SECBINFHSA-N 2 0 293.358 2.641 20 0 CFADRP C[C@H](C[NH2+]CC1([NH3+])CCC1)c1cccc(Cl)c1 ZINC000414884085 233387968 /nfs/dbraw/zinc/38/79/68/233387968.db2.gz VLYODOVUASGPSS-LLVKDONJSA-N 2 0 252.789 2.915 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000414885702 233389798 /nfs/dbraw/zinc/38/97/98/233389798.db2.gz XFCRUCVKCTZPGH-GFCCVEGCSA-N 2 0 264.438 2.811 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000414892449 233390591 /nfs/dbraw/zinc/39/05/91/233390591.db2.gz PWFWOLDFDHLSGF-ZACQAIPSSA-N 2 0 258.409 2.725 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+][C@H](C)CC[NH3+] ZINC000414890617 233390735 /nfs/dbraw/zinc/39/07/35/233390735.db2.gz UHAAXLFMDOHANT-GFCCVEGCSA-N 2 0 258.365 2.675 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414899463 233392538 /nfs/dbraw/zinc/39/25/38/233392538.db2.gz CJZCXGAIMDAQJB-YESZJQIVSA-N 2 0 258.409 2.597 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414898248 233392580 /nfs/dbraw/zinc/39/25/80/233392580.db2.gz AZUSDLRTSJASJV-GFCCVEGCSA-N 2 0 270.323 2.520 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414898779 233392977 /nfs/dbraw/zinc/39/29/77/233392977.db2.gz BYDGMFAYRLBBSH-CZUORRHYSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH3+])c(OC(F)F)cc1C ZINC000414902639 233393360 /nfs/dbraw/zinc/39/33/60/233393360.db2.gz KHVXZFBGRJWTHK-UHFFFAOYSA-N 2 0 272.339 2.733 20 0 CFADRP C[C@H]1CCc2nc(C[NH2+]CC3(C)CC[NH2+]CC3)sc2C1 ZINC000414902024 233393953 /nfs/dbraw/zinc/39/39/53/233393953.db2.gz KASAYUGJRMDPIL-LBPRGKRZSA-N 2 0 293.480 2.747 20 0 CFADRP C[C@@]1(C[NH2+]C/C=C\c2ccc(F)cc2)CCC[NH2+]C1 ZINC000414909271 233395970 /nfs/dbraw/zinc/39/59/70/233395970.db2.gz RKGOIPXLRZAHKD-OUMXJLHTSA-N 2 0 262.372 2.818 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414914263 233397231 /nfs/dbraw/zinc/39/72/31/233397231.db2.gz XTEQSHLCECOBEG-HNNXBMFYSA-N 2 0 290.451 2.996 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCCCCC1 ZINC000414858726 233381668 /nfs/dbraw/zinc/38/16/68/233381668.db2.gz KVQIJKKNTCRUPL-RRFJBIMHSA-N 2 0 278.440 2.585 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000598985872 350354362 /nfs/dbraw/zinc/35/43/62/350354362.db2.gz BZOWABGTUNTXDN-GFCCVEGCSA-N 2 0 256.459 2.735 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414994402 233428625 /nfs/dbraw/zinc/42/86/25/233428625.db2.gz DNAYGPQOYNGONP-ABAIWWIYSA-N 2 0 294.826 2.882 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415046838 233446470 /nfs/dbraw/zinc/44/64/70/233446470.db2.gz VJUUIJZMLMBSQI-NEPJUHHUSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000415028044 233441008 /nfs/dbraw/zinc/44/10/08/233441008.db2.gz BYAYRNMDMYMQQR-RYUDHWBXSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000415036590 233442788 /nfs/dbraw/zinc/44/27/88/233442788.db2.gz LPVNJQBXFMMKSY-ONGXEEELSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000415037806 233443841 /nfs/dbraw/zinc/44/38/41/233443841.db2.gz MMTJHYCJMWPJAI-KDOFPFPSSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1cc(CC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc(C)c1O ZINC000415107313 233468787 /nfs/dbraw/zinc/46/87/87/233468787.db2.gz OOONKGFEZZUFEC-GOEBONIOSA-N 2 0 276.424 2.672 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000092345920 180366233 /nfs/dbraw/zinc/36/62/33/180366233.db2.gz WJIVRVRYWHWGBL-OAHLLOKOSA-N 2 0 283.419 2.975 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000092381274 180371546 /nfs/dbraw/zinc/37/15/46/180371546.db2.gz OPZRLUKEXAWIQF-UHFFFAOYSA-N 2 0 262.397 2.556 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000092381032 180371567 /nfs/dbraw/zinc/37/15/67/180371567.db2.gz WGNKRBMHDMSRQO-UHFFFAOYSA-N 2 0 250.386 2.752 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119938 186243441 /nfs/dbraw/zinc/24/34/41/186243441.db2.gz MPSFJBQQJKERKN-WCFLWFBJSA-N 2 0 282.334 2.500 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000600712672 350600066 /nfs/dbraw/zinc/60/00/66/350600066.db2.gz ZRHJDLUPJCAHTH-YHUYYLMFSA-N 2 0 296.455 2.619 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000110644511 186308554 /nfs/dbraw/zinc/30/85/54/186308554.db2.gz WCMCJZVYIAMKSU-SNVBAGLBSA-N 2 0 254.324 2.524 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110644480 186308641 /nfs/dbraw/zinc/30/86/41/186308641.db2.gz LBNHEZRBSYPXHR-ZDUSSCGKSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H](C(=O)OC(C)(C)C)N(C)CCCC[NH+]1CCCCC1 ZINC000603113183 351105842 /nfs/dbraw/zinc/10/58/42/351105842.db2.gz ZBGZJVMILQTNTI-HNNXBMFYSA-N 2 0 298.471 2.915 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCCS1)C1CC[NH+](C)CC1 ZINC000134007411 539823141 /nfs/dbraw/zinc/82/31/41/539823141.db2.gz SOWBDUSXWXUSMO-GXTWGEPZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000121863312 187001518 /nfs/dbraw/zinc/00/15/18/187001518.db2.gz BPABVIMLQLXKLK-MRXNPFEDSA-N 2 0 298.434 2.657 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000121702907 186990585 /nfs/dbraw/zinc/99/05/85/186990585.db2.gz UWUOXLFACHUJPY-CYBMUJFWSA-N 2 0 290.455 2.866 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2ncccc2c1)C[NH+](C)C ZINC000291738901 198076108 /nfs/dbraw/zinc/07/61/08/198076108.db2.gz OPBWMRQCKWXGNI-CYBMUJFWSA-N 2 0 257.381 2.522 20 0 CFADRP CSCC1CCC([NH2+]CCN2CC[C@H](C)C2)CC1 ZINC000565638875 290314597 /nfs/dbraw/zinc/31/45/97/290314597.db2.gz SIODEAQRYCUOIQ-NFOMZHRRSA-N 2 0 270.486 2.840 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000122772878 187050213 /nfs/dbraw/zinc/05/02/13/187050213.db2.gz BATIQAAJCNTZOY-BZUAXINKSA-N 2 0 276.424 2.835 20 0 CFADRP Cc1oc2ccccc2c1C[NH+]1CCC(C[NH3+])CC1 ZINC000123572824 187099135 /nfs/dbraw/zinc/09/91/35/187099135.db2.gz UBHHVHOYWNSZDY-UHFFFAOYSA-N 2 0 258.365 2.912 20 0 CFADRP CC[C@@H](COC)[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000123996376 187117807 /nfs/dbraw/zinc/11/78/07/187117807.db2.gz YBFJMAAXUHMSLN-INIZCTEOSA-N 2 0 264.413 2.653 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000134162225 539828626 /nfs/dbraw/zinc/82/86/26/539828626.db2.gz NRGUIERZFVRGIW-QZTJIDSGSA-N 2 0 293.499 2.596 20 0 CFADRP CC(C)C1CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000310665587 539829028 /nfs/dbraw/zinc/82/90/28/539829028.db2.gz FYRNDDGQCNMNCH-CKUJCDMFSA-N 2 0 250.430 2.600 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC000614907913 352132031 /nfs/dbraw/zinc/13/20/31/352132031.db2.gz OCQOZYGQDLJONH-KRWDZBQOSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[NH+]1CCC(NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000161648223 539832351 /nfs/dbraw/zinc/83/23/51/539832351.db2.gz FOSMAMLXHPISSR-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166361009 539847528 /nfs/dbraw/zinc/84/75/28/539847528.db2.gz COPYUUOTUZPCJB-JKSUJKDBSA-N 2 0 274.408 2.590 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166360162 539847561 /nfs/dbraw/zinc/84/75/61/539847561.db2.gz ZQKDRFWHMKRVKU-IAGOWNOFSA-N 2 0 288.435 2.899 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000271541917 191201126 /nfs/dbraw/zinc/20/11/26/191201126.db2.gz YRHVVECFDFBMJJ-TYNCELHUSA-N 2 0 282.378 2.826 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000232969663 539911930 /nfs/dbraw/zinc/91/19/30/539911930.db2.gz IOWUEEBKLZLJKH-CVEARBPZSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCOCc3ccccc3)C2)C1 ZINC000292138390 198178295 /nfs/dbraw/zinc/17/82/95/198178295.db2.gz MFOJKNITCHIHIU-SFHVURJKSA-N 2 0 288.435 2.621 20 0 CFADRP c1ccc(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889417 539954893 /nfs/dbraw/zinc/95/48/93/539954893.db2.gz VZMIFNSZDKPWEV-KRWDZBQOSA-N 2 0 258.409 2.551 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000151033754 187939358 /nfs/dbraw/zinc/93/93/58/187939358.db2.gz SBBXJNDNQOKXEE-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CC(C)(C)C2)CC1 ZINC000459746275 535198430 /nfs/dbraw/zinc/19/84/30/535198430.db2.gz GANNDZGZEXQUQV-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152437535 188018705 /nfs/dbraw/zinc/01/87/05/188018705.db2.gz TWKBYNZETDWJQW-UKRRQHHQSA-N 2 0 276.399 2.831 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000422950085 295855157 /nfs/dbraw/zinc/85/51/57/295855157.db2.gz VDXHOHTWZDIQOA-SMDDNHRTSA-N 2 0 266.360 2.756 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152861215 188049108 /nfs/dbraw/zinc/04/91/08/188049108.db2.gz MWKJUEUCMCUSKQ-GOEBONIOSA-N 2 0 294.439 2.703 20 0 CFADRP CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222048999 539971402 /nfs/dbraw/zinc/97/14/02/539971402.db2.gz BSXPSWLVHSPAOM-KBUPBQIOSA-N 2 0 268.470 2.877 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000153732767 188100220 /nfs/dbraw/zinc/10/02/20/188100220.db2.gz GTZLXBRMIGRQSB-CYBMUJFWSA-N 2 0 284.469 2.984 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1sccc1C ZINC000153755461 188102211 /nfs/dbraw/zinc/10/22/11/188102211.db2.gz PUKOKNUVVWFHRP-ZDUSSCGKSA-N 2 0 270.442 2.675 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000153781660 188103363 /nfs/dbraw/zinc/10/33/63/188103363.db2.gz RTUCSLTWTIWQRR-KRWDZBQOSA-N 2 0 276.424 2.622 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000154246295 188131563 /nfs/dbraw/zinc/13/15/63/188131563.db2.gz RKRKNNOCALWXHA-GOSISDBHSA-N 2 0 289.467 2.755 20 0 CFADRP C[N@@H+](Cc1cnn(-c2ccccc2)c1)CC1CC[NH+](C)CC1 ZINC000154824026 188164220 /nfs/dbraw/zinc/16/42/20/188164220.db2.gz QFKZTTFYLZMIDL-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000156138942 188244763 /nfs/dbraw/zinc/24/47/63/188244763.db2.gz JEHFMDFAFOOKLN-ZIAGYGMSSA-N 2 0 286.423 2.568 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000156139188 188245043 /nfs/dbraw/zinc/24/50/43/188245043.db2.gz JEHFMDFAFOOKLN-KGLIPLIRSA-N 2 0 286.423 2.568 20 0 CFADRP Cc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156149043 188246081 /nfs/dbraw/zinc/24/60/81/188246081.db2.gz XZWYHAIITXFUEZ-DLBZAZTESA-N 2 0 258.409 2.754 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000156267718 188252557 /nfs/dbraw/zinc/25/25/57/188252557.db2.gz PPABSLUSUXIQIX-UXLLHSPISA-N 2 0 276.424 2.692 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157221073 188304293 /nfs/dbraw/zinc/30/42/93/188304293.db2.gz PKHIKUNSGAWYKH-UONOGXRCSA-N 2 0 264.388 2.688 20 0 CFADRP CCOc1cncc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000621359872 353335622 /nfs/dbraw/zinc/33/56/22/353335622.db2.gz ZYWZJQZCULNPSU-UHFFFAOYSA-N 2 0 279.428 2.690 20 0 CFADRP CCOc1cncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000621327299 353324452 /nfs/dbraw/zinc/32/44/52/353324452.db2.gz IXGPMWISEAEZFD-UHFFFAOYSA-N 2 0 299.418 2.832 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000157581001 188326394 /nfs/dbraw/zinc/32/63/94/188326394.db2.gz MMPUHAHWODFWEK-RVKKMQEKSA-N 2 0 298.434 2.691 20 0 CFADRP CCCc1csc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000566316868 290370465 /nfs/dbraw/zinc/37/04/65/290370465.db2.gz RPPIZDVKEZVXGO-UHFFFAOYSA-N 2 0 267.442 2.656 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1)c1ccc(F)cc1 ZINC000622003877 353463883 /nfs/dbraw/zinc/46/38/83/353463883.db2.gz GUOGEHUPQZUZJI-INWMFGNUSA-N 2 0 262.372 2.742 20 0 CFADRP Cn1cncc1CC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000623085970 353585078 /nfs/dbraw/zinc/58/50/78/353585078.db2.gz PTSVYJQYXQCLGP-UHFFFAOYSA-N 2 0 269.392 2.631 20 0 CFADRP CC(C)COc1ccccc1C[NH2+]CCc1cncn1C ZINC000623086119 353585223 /nfs/dbraw/zinc/58/52/23/353585223.db2.gz YBFRUUJPTJIFRI-UHFFFAOYSA-N 2 0 287.407 2.787 20 0 CFADRP CN(CCC[NH2+]Cc1cccc2ccccc21)CC[NH+](C)C ZINC000623088494 353586383 /nfs/dbraw/zinc/58/63/83/353586383.db2.gz OLTNVYGLHVSBMB-UHFFFAOYSA-N 2 0 299.462 2.813 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc3n[nH]cc32)c1 ZINC000623348066 353621299 /nfs/dbraw/zinc/62/12/99/353621299.db2.gz QLYVLIYZXRAQAN-UHFFFAOYSA-N 2 0 294.402 2.914 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353502 353622886 /nfs/dbraw/zinc/62/28/86/353622886.db2.gz NUCKYVBLGNBVOG-HOTGVXAUSA-N 2 0 283.504 2.815 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623356997 353623852 /nfs/dbraw/zinc/62/38/52/353623852.db2.gz TZNNSDNASQQMFL-ZDUSSCGKSA-N 2 0 250.386 2.593 20 0 CFADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000623357329 353623878 /nfs/dbraw/zinc/62/38/78/353623878.db2.gz JGCMHWSIOHTYIF-OWCLPIDISA-N 2 0 281.488 2.712 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000623356996 353623991 /nfs/dbraw/zinc/62/39/91/353623991.db2.gz TZNNSDNASQQMFL-CYBMUJFWSA-N 2 0 250.386 2.593 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)C2CCCCC2)CC1(C)C ZINC000623477484 353652696 /nfs/dbraw/zinc/65/26/96/353652696.db2.gz JGRCVUHTZPRQIG-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623359951 353624956 /nfs/dbraw/zinc/62/49/56/353624956.db2.gz KLLGKYAGLFUGBJ-SJORKVTESA-N 3 0 295.515 2.959 20 0 CFADRP C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000623383152 353631360 /nfs/dbraw/zinc/63/13/60/353631360.db2.gz GLFXNOUFKRHYLE-HOTGVXAUSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCCNc2ccccn2)CC1(C)C ZINC000623398879 353634971 /nfs/dbraw/zinc/63/49/71/353634971.db2.gz RCRBOVMHYFPWQZ-OAHLLOKOSA-N 3 0 290.455 2.736 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2F)CC1(C)C ZINC000623416550 353637858 /nfs/dbraw/zinc/63/78/58/353637858.db2.gz ZAAWIUFACKRZTN-CYBMUJFWSA-N 2 0 282.378 2.970 20 0 CFADRP COC[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418133 353639018 /nfs/dbraw/zinc/63/90/18/353639018.db2.gz CWFPPNVYURXNNO-HZPDHXFCSA-N 2 0 276.424 2.837 20 0 CFADRP Cc1noc(C)c1[C@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623419195 353639221 /nfs/dbraw/zinc/63/92/21/353639221.db2.gz ZHKYRNWIJUFCFS-GXFFZTMASA-N 2 0 265.401 2.815 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428346 353641762 /nfs/dbraw/zinc/64/17/62/353641762.db2.gz HSJRNWWSKGGRIO-GDBMZVCRSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432350 353643077 /nfs/dbraw/zinc/64/30/77/353643077.db2.gz NXAUELCHJGFFCR-GJZGRUSLSA-N 2 0 277.456 2.809 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623436748 353644141 /nfs/dbraw/zinc/64/41/41/353644141.db2.gz CIDKQWYRDVJVHM-OLZOCXBDSA-N 2 0 256.434 2.510 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623436864 353644913 /nfs/dbraw/zinc/64/49/13/353644913.db2.gz IJZBTXQSLBPIGL-XJKCOSOUSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)CC1(C)C ZINC000623440502 353645867 /nfs/dbraw/zinc/64/58/67/353645867.db2.gz YXBYIJASEDDNPK-INIZCTEOSA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1(C)C ZINC000623454850 353648681 /nfs/dbraw/zinc/64/86/81/353648681.db2.gz QPGRRHOBDHTCJV-DZKIICNBSA-N 2 0 298.496 2.504 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCC[C@H]2O)CC1(C)C ZINC000623454963 353649462 /nfs/dbraw/zinc/64/94/62/353649462.db2.gz VZXZQUBNXZRBOD-OWCLPIDISA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1(C)C ZINC000623472511 353651402 /nfs/dbraw/zinc/65/14/02/353651402.db2.gz RDIKJLCBSZUTAC-JONQDZQNSA-N 2 0 292.467 2.797 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)CC1(C)C ZINC000623335205 353616619 /nfs/dbraw/zinc/61/66/19/353616619.db2.gz BCPYOMZLYZWLEP-OAHLLOKOSA-N 2 0 264.388 2.831 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623339871 353619151 /nfs/dbraw/zinc/61/91/51/353619151.db2.gz NLURYBCDQOZWFN-OAHLLOKOSA-N 2 0 276.424 2.836 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000623495751 353657508 /nfs/dbraw/zinc/65/75/08/353657508.db2.gz QXRWGGLMBINLNK-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[NH+]1CC[C@H](NC[C@H]2[N@H+](C)CCCC2(C)C)CC1(C)C ZINC000623510390 353660319 /nfs/dbraw/zinc/66/03/19/353660319.db2.gz VFJMXKMJVPSEJP-LSDHHAIUSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)CC1(C)C ZINC000623525693 353663247 /nfs/dbraw/zinc/66/32/47/353663247.db2.gz XTIBLFLICMKWNI-YVNMAJEFSA-N 2 0 264.335 2.790 20 0 CFADRP CCOc1cc(CNC[C@@H](C)C[NH+](C)C)c(F)cc1OC ZINC000623530156 353665359 /nfs/dbraw/zinc/66/53/59/353665359.db2.gz PBDSJHFIRIQWCL-GFCCVEGCSA-N 2 0 298.402 2.520 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623533249 353665786 /nfs/dbraw/zinc/66/57/86/353665786.db2.gz YUZCKDDIAIQWRC-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc(F)c(CNC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656383 353696389 /nfs/dbraw/zinc/69/63/89/353696389.db2.gz SZEJNCUBOFXDEF-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623536337 353666947 /nfs/dbraw/zinc/66/69/47/353666947.db2.gz SPPKKLKQJRNCAC-NEPJUHHUSA-N 2 0 296.377 2.806 20 0 CFADRP CC(C)[C@H](CO)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623539571 353667298 /nfs/dbraw/zinc/66/72/98/353667298.db2.gz UPJQOJPUHWPWRP-PMPSAXMXSA-N 2 0 284.488 2.738 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)CC1(C)C ZINC000623544211 353668104 /nfs/dbraw/zinc/66/81/04/353668104.db2.gz SLLLAKIGXHPSRF-GFCCVEGCSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CO)CC2CCCCC2)CC1(C)C ZINC000623552744 353669949 /nfs/dbraw/zinc/66/99/49/353669949.db2.gz UQFFOXLIXYEHHP-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC(F)CC2)CC1(C)C ZINC000623557812 353671335 /nfs/dbraw/zinc/67/13/35/353671335.db2.gz JELVFYLZMLVBTF-JXQTWKCFSA-N 2 0 256.409 2.977 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623562522 353672622 /nfs/dbraw/zinc/67/26/22/353672622.db2.gz USWBBUZXXCJQNO-ZIAGYGMSSA-N 2 0 261.413 2.648 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000623574999 353676023 /nfs/dbraw/zinc/67/60/23/353676023.db2.gz FOANMAQXHCRZIS-QGZVFWFLSA-N 3 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC1(C)C ZINC000623575187 353676499 /nfs/dbraw/zinc/67/64/99/353676499.db2.gz PAPPJIOYSZRASB-IAGOWNOFSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2csc(C3CC3)n2)C1 ZINC000623655930 353696899 /nfs/dbraw/zinc/69/68/99/353696899.db2.gz IVSFXRHFQZHSHJ-LBPRGKRZSA-N 2 0 279.453 2.842 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623484773 353654281 /nfs/dbraw/zinc/65/42/81/353654281.db2.gz BESBJDGKBTUCHH-ZOBORPQBSA-N 2 0 268.445 2.508 20 0 CFADRP COCC[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623487654 353655303 /nfs/dbraw/zinc/65/53/03/353655303.db2.gz LOUCGWKSUGZGHP-ZIAGYGMSSA-N 2 0 280.412 2.820 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623489777 353655840 /nfs/dbraw/zinc/65/58/40/353655840.db2.gz PKFGEYAHSINFBT-HUUCEWRRSA-N 2 0 294.439 2.690 20 0 CFADRP C[C@@H](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000623490227 353655912 /nfs/dbraw/zinc/65/59/12/353655912.db2.gz BKDLNMVEJFLPCB-JKSUJKDBSA-N 2 0 281.488 2.713 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623491247 353655975 /nfs/dbraw/zinc/65/59/75/353655975.db2.gz LAGHHZQZKJOILC-NEPJUHHUSA-N 2 0 267.442 2.709 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CCCC23CC3)n(-c2cc[nH+]cc2)n1 ZINC000623826150 353733472 /nfs/dbraw/zinc/73/34/72/353733472.db2.gz VHENVQNOFXSTFO-CQSZACIVSA-N 2 0 282.391 2.937 20 0 CFADRP Cc1sccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657304 353698172 /nfs/dbraw/zinc/69/81/72/353698172.db2.gz NBCUDKIZUGPWAI-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCCO1 ZINC000624017419 353785977 /nfs/dbraw/zinc/78/59/77/353785977.db2.gz ZXFVDMXFONONJT-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCCO1 ZINC000624017418 353786304 /nfs/dbraw/zinc/78/63/04/353786304.db2.gz ZXFVDMXFONONJT-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP COCCc1ccnc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623982072 353774735 /nfs/dbraw/zinc/77/47/35/353774735.db2.gz BSXWEZRTHUBEDQ-CQSZACIVSA-N 2 0 277.412 2.555 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000623989902 353777503 /nfs/dbraw/zinc/77/75/03/353777503.db2.gz LWCCZFLLNHSDBH-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623999000 353779844 /nfs/dbraw/zinc/77/98/44/353779844.db2.gz IALZOJIKEQROED-CHWSQXEVSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCCCO1 ZINC000623853718 353740819 /nfs/dbraw/zinc/74/08/19/353740819.db2.gz FLLLUKUQPMLPEI-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624120011 353810394 /nfs/dbraw/zinc/81/03/94/353810394.db2.gz PKYITEWYEFEQIA-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000624121107 353811176 /nfs/dbraw/zinc/81/11/76/353811176.db2.gz OBAOYMBHDOICMA-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP COc1ccc([C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1O ZINC000624123016 353811858 /nfs/dbraw/zinc/81/18/58/353811858.db2.gz DCUAAYHVAONHLS-KGLIPLIRSA-N 2 0 292.423 2.783 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000624123311 353812689 /nfs/dbraw/zinc/81/26/89/353812689.db2.gz JPWJKQGJYNRFEA-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCC1 ZINC000624123414 353812859 /nfs/dbraw/zinc/81/28/59/353812859.db2.gz LQKNVOISQYRYBS-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000624124168 353813119 /nfs/dbraw/zinc/81/31/19/353813119.db2.gz YYFXURLVTQUKLF-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000624212128 353836245 /nfs/dbraw/zinc/83/62/45/353836245.db2.gz SLLXMFGWQUTANV-UHFFFAOYSA-N 2 0 272.396 2.541 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624299606 353857096 /nfs/dbraw/zinc/85/70/96/353857096.db2.gz QFFKIEFNKSQSKR-RANZSIQMSA-N 2 0 288.435 2.664 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000624271901 353852581 /nfs/dbraw/zinc/85/25/81/353852581.db2.gz LHQCMZKYOGVUGR-MELADBBJSA-N 2 0 268.445 2.652 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624299604 353856824 /nfs/dbraw/zinc/85/68/24/353856824.db2.gz QFFKIEFNKSQSKR-BZZMCLGOSA-N 2 0 288.435 2.664 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000625252719 354005102 /nfs/dbraw/zinc/00/51/02/354005102.db2.gz IYAJKXHZEPEIEE-QZTJIDSGSA-N 2 0 295.515 2.915 20 0 CFADRP C[N@H+](CCCn1ccnc1)Cc1cc(O)ccc1Cl ZINC000625273370 354010280 /nfs/dbraw/zinc/01/02/80/354010280.db2.gz MPHHXQSWSCQNHA-UHFFFAOYSA-N 2 0 279.771 2.764 20 0 CFADRP c1nc2c([nH]1)C[N@H+](CC[C@H]1CCc3ccccc31)CC2 ZINC000625434055 354045374 /nfs/dbraw/zinc/04/53/74/354045374.db2.gz BOVWFKLYUQIWCR-CQSZACIVSA-N 2 0 267.376 2.888 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335044188 282995826 /nfs/dbraw/zinc/99/58/26/282995826.db2.gz XQPDMWDTZJUIBM-GOEBONIOSA-N 2 0 262.372 2.935 20 0 CFADRP CC[N@H+](CCCF)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063113 354183640 /nfs/dbraw/zinc/18/36/40/354183640.db2.gz RLGBQSKWHCSHKL-UHFFFAOYSA-N 2 0 252.377 2.930 20 0 CFADRP Fc1cccc(F)c1[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261928479 283015740 /nfs/dbraw/zinc/01/57/40/283015740.db2.gz LGEQKPPSBQZUAE-CYBMUJFWSA-N 2 0 280.362 2.754 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000166023067 188635014 /nfs/dbraw/zinc/63/50/14/188635014.db2.gz IRFBCEOIFWYXDR-SJLPKXTDSA-N 2 0 290.451 2.929 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000628165878 354456320 /nfs/dbraw/zinc/45/63/20/354456320.db2.gz PYFNFAPZYBQEJG-BRWVUGGUSA-N 2 0 296.499 2.980 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CCCS2)C1 ZINC000628186114 354466954 /nfs/dbraw/zinc/46/69/54/354466954.db2.gz XWSCJKCPKGGBQS-GJZGRUSLSA-N 2 0 270.486 2.936 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000628201978 354474396 /nfs/dbraw/zinc/47/43/96/354474396.db2.gz CLPWSTCMFIJXDT-ROUUACIJSA-N 2 0 295.515 2.820 20 0 CFADRP Cc1ccc([C@@H](C)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000628209269 354476979 /nfs/dbraw/zinc/47/69/79/354476979.db2.gz WSVLJOVCIKRALU-INIZCTEOSA-N 2 0 290.451 2.535 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000628213788 354480030 /nfs/dbraw/zinc/48/00/30/354480030.db2.gz XWQCSSJTRSHDEQ-RCCFBDPRSA-N 2 0 295.515 2.676 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628214036 354480168 /nfs/dbraw/zinc/48/01/68/354480168.db2.gz ILCIMHLBQBZHGI-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628221172 354484022 /nfs/dbraw/zinc/48/40/22/354484022.db2.gz YEQCVFOMOBDHBR-UHFFFAOYSA-N 2 0 265.401 2.503 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CC(F)(F)C1 ZINC000628304576 354533125 /nfs/dbraw/zinc/53/31/25/354533125.db2.gz GJZCOTGEWOOSQE-NSHDSACASA-N 2 0 260.372 2.884 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnc(C2CC2)o1)C1CC1 ZINC000628304728 354533329 /nfs/dbraw/zinc/53/33/29/354533329.db2.gz OFBLDWCCUDYFMN-UHFFFAOYSA-N 2 0 263.385 2.516 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000628425295 354586241 /nfs/dbraw/zinc/58/62/41/354586241.db2.gz GRPOEYQWLZSLBF-OAHLLOKOSA-N 2 0 272.436 2.723 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000629388639 354799270 /nfs/dbraw/zinc/79/92/70/354799270.db2.gz VALTYZHMBYDFDL-IAGOWNOFSA-N 2 0 288.435 2.810 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1C ZINC000629389570 354800485 /nfs/dbraw/zinc/80/04/85/354800485.db2.gz OEHJKQVRWVDBIT-ZNMIVQPWSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629397479 354802147 /nfs/dbraw/zinc/80/21/47/354802147.db2.gz WBFKLLJBGHPBMT-FZCLSBEQSA-N 2 0 287.451 2.552 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000629401400 354802913 /nfs/dbraw/zinc/80/29/13/354802913.db2.gz AGSMEHYJPWCHAD-CGTJXYLNSA-N 2 0 290.451 2.784 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000629398469 354803104 /nfs/dbraw/zinc/80/31/04/354803104.db2.gz UAAQXKNLDTWNDS-SJORKVTESA-N 2 0 276.424 2.668 20 0 CFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629399500 354803198 /nfs/dbraw/zinc/80/31/98/354803198.db2.gz SJMZPBGSGDYLPB-HNNXBMFYSA-N 2 0 278.440 2.698 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000629401432 354803234 /nfs/dbraw/zinc/80/32/34/354803234.db2.gz ANZKMQSYXYGSQA-LLVKDONJSA-N 2 0 290.860 2.548 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000629530199 354833125 /nfs/dbraw/zinc/83/31/25/354833125.db2.gz ZACLXTTXWNDRPE-KRWDZBQOSA-N 2 0 294.414 2.883 20 0 CFADRP CCSc1ccc([C@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629529649 354833179 /nfs/dbraw/zinc/83/31/79/354833179.db2.gz JMUMAKZMZRSCDC-ZDUSSCGKSA-N 2 0 282.453 2.685 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000629528865 354833186 /nfs/dbraw/zinc/83/31/86/354833186.db2.gz LSWJRQPBRNHSNQ-AWEZNQCLSA-N 2 0 278.440 2.871 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1F ZINC000629506963 354822925 /nfs/dbraw/zinc/82/29/25/354822925.db2.gz IYGMPCWHVJTHQW-OAHLLOKOSA-N 2 0 292.398 2.623 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000629516496 354825828 /nfs/dbraw/zinc/82/58/28/354825828.db2.gz IKJGSOUATQKSPN-KBPBESRZSA-N 2 0 275.440 2.937 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2sccc21 ZINC000629520696 354827880 /nfs/dbraw/zinc/82/78/80/354827880.db2.gz LVFCRCZWLAIWFO-DGCLKSJQSA-N 2 0 280.437 2.784 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629522005 354827955 /nfs/dbraw/zinc/82/79/55/354827955.db2.gz VDTNKKOFYSEAQJ-MRXNPFEDSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc2ccccc2c1 ZINC000629523340 354828771 /nfs/dbraw/zinc/82/87/71/354828771.db2.gz DPJFBNLWTMPVIX-CQSZACIVSA-N 2 0 284.403 2.998 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000629522522 354828914 /nfs/dbraw/zinc/82/89/14/354828914.db2.gz CEIRYTCCLYIOGE-ARFHVFGLSA-N 2 0 287.451 2.645 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2([NH3+])CCOCC2)C[C@H]1c1ccccc1 ZINC000629525127 354829656 /nfs/dbraw/zinc/82/96/56/354829656.db2.gz SUAOMBUVZHFHHV-HOTGVXAUSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000629525403 354829936 /nfs/dbraw/zinc/82/99/36/354829936.db2.gz YLSGCMVBNXUBFL-CABCVRRESA-N 2 0 275.440 2.775 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCCC(F)(F)F ZINC000629527322 354831066 /nfs/dbraw/zinc/83/10/66/354831066.db2.gz RSUAIIYSJHENNB-OUAUKWLOSA-N 2 0 252.324 2.838 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cccc(Cl)c1 ZINC000629528750 354832153 /nfs/dbraw/zinc/83/21/53/354832153.db2.gz IKQQSZOZYPVMSI-AWEZNQCLSA-N 2 0 270.804 2.617 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000629529980 354832767 /nfs/dbraw/zinc/83/27/67/354832767.db2.gz RXDFDCIEKKSVFL-QGZVFWFLSA-N 2 0 290.407 2.956 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000629529045 354832810 /nfs/dbraw/zinc/83/28/10/354832810.db2.gz QHRNSFYQSRVMSE-INIZCTEOSA-N 2 0 264.413 2.599 20 0 CFADRP Cn1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000629648257 354875638 /nfs/dbraw/zinc/87/56/38/354875638.db2.gz KBVIEHSJKJPSCF-INIZCTEOSA-N 2 0 257.381 2.595 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)CO2 ZINC000629649086 354876560 /nfs/dbraw/zinc/87/65/60/354876560.db2.gz HOEHQLUACRJDOY-ROUUACIJSA-N 2 0 298.430 2.926 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649368 354876646 /nfs/dbraw/zinc/87/66/46/354876646.db2.gz RIXDXBZGJDSKQJ-ZDUSSCGKSA-N 2 0 260.381 2.570 20 0 CFADRP Cc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532418 354834703 /nfs/dbraw/zinc/83/47/03/354834703.db2.gz ZWEZLXWMJCMGPT-DLBZAZTESA-N 2 0 273.424 2.602 20 0 CFADRP CCC[C@@H](C)CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533427 354835079 /nfs/dbraw/zinc/83/50/79/354835079.db2.gz ZOYBDOCJMUWQMS-HZPDHXFCSA-N 2 0 282.472 2.890 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1cccnc1C(F)(F)F)C2 ZINC000629536470 354835529 /nfs/dbraw/zinc/83/55/29/354835529.db2.gz HQZHHNTVBQIQES-JSGCOSHPSA-N 2 0 299.340 2.661 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000629534806 354835668 /nfs/dbraw/zinc/83/56/68/354835668.db2.gz AZOSZBWPRUJFCB-XJKSGUPXSA-N 2 0 275.440 2.930 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000629537074 354836628 /nfs/dbraw/zinc/83/66/28/354836628.db2.gz IRUDDODAHHAUCN-OAHLLOKOSA-N 2 0 299.418 2.765 20 0 CFADRP CCC[C@@H](C)CCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000629538419 354836655 /nfs/dbraw/zinc/83/66/55/354836655.db2.gz NWKWBWVPANZCFW-GDBMZVCRSA-N 2 0 293.459 2.590 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000629537053 354836866 /nfs/dbraw/zinc/83/68/66/354836866.db2.gz IBLXBHGBRSVGCO-CHWSQXEVSA-N 2 0 284.831 2.787 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000629540563 354838743 /nfs/dbraw/zinc/83/87/43/354838743.db2.gz VWRPCVOXLMZXGC-HZPDHXFCSA-N 2 0 276.424 2.524 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000629653947 354878200 /nfs/dbraw/zinc/87/82/00/354878200.db2.gz NRIRKVXMNBOMSQ-LSDHHAIUSA-N 2 0 292.423 2.638 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc2c(s1)CCCC2 ZINC000629542301 354839661 /nfs/dbraw/zinc/83/96/61/354839661.db2.gz XZKXITITYGMVLP-LBPRGKRZSA-N 2 0 282.453 2.643 20 0 CFADRP CCO[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000629543656 354840487 /nfs/dbraw/zinc/84/04/87/354840487.db2.gz CUOSOELFXJFYAT-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cncc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000629548741 354843343 /nfs/dbraw/zinc/84/33/43/354843343.db2.gz SAVXCENWZMIOBV-GDBMZVCRSA-N 2 0 261.413 2.729 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000629549568 354844650 /nfs/dbraw/zinc/84/46/50/354844650.db2.gz SGDOMKBIPSKKKX-ARFHVFGLSA-N 2 0 280.456 2.783 20 0 CFADRP Cc1nc(C(C)C)ccc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000629552560 354846121 /nfs/dbraw/zinc/84/61/21/354846121.db2.gz MJIONHKHHYCWMP-RDJZCZTQSA-N 2 0 273.424 2.827 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCCCF)CC[C@@H]1C(F)(F)F ZINC000629564232 354848181 /nfs/dbraw/zinc/84/81/81/354848181.db2.gz SBFZDBROYLSBGN-MNOVXSKESA-N 2 0 270.314 2.585 20 0 CFADRP [NH3+]Cc1cccc2c1N(CCC[NH+]1CCCCC1)CCC2 ZINC000629559050 354848197 /nfs/dbraw/zinc/84/81/97/354848197.db2.gz CBZSVWDLGAGTKR-UHFFFAOYSA-N 2 0 287.451 2.774 20 0 CFADRP CCOCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000629573451 354848966 /nfs/dbraw/zinc/84/89/66/354848966.db2.gz CXTKAIJFGLXWEY-CRAIPNDOSA-N 2 0 288.435 2.622 20 0 CFADRP Cc1cccc([C@@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C(C)C)c1 ZINC000629574961 354849323 /nfs/dbraw/zinc/84/93/23/354849323.db2.gz GUQMHXFYXXMOOI-SJORKVTESA-N 2 0 288.435 2.803 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000629653166 354878608 /nfs/dbraw/zinc/87/86/08/354878608.db2.gz HFLHWUJRCVKAKH-DLBZAZTESA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC[NH3+] ZINC000629582218 354850420 /nfs/dbraw/zinc/85/04/20/354850420.db2.gz PJCCLKGBJYFEII-AAEUAGOBSA-N 2 0 297.240 2.976 20 0 CFADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1=CCCCC1 ZINC000629577691 354850500 /nfs/dbraw/zinc/85/05/00/354850500.db2.gz SFQKOBVGUUGIKP-INIZCTEOSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H](c1cccc2ccccc21)[N@H+](C)CCOCC[NH3+] ZINC000629578640 354850806 /nfs/dbraw/zinc/85/08/06/354850806.db2.gz KHESACHLPHRRNK-AWEZNQCLSA-N 2 0 272.392 2.808 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCC1CCCC1)C2 ZINC000629585098 354851257 /nfs/dbraw/zinc/85/12/57/354851257.db2.gz KAIXRTHIRTUNGD-IYBDPMFKSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccoc3)cc2)CC1 ZINC000629714812 354907633 /nfs/dbraw/zinc/90/76/33/354907633.db2.gz NMFZUXQYUMQUCC-UHFFFAOYSA-N 2 0 256.349 2.870 20 0 CFADRP CC1(c2cccc(C3=CC[NH2+]CC3)c2)CC[NH2+]CC1 ZINC000629723623 354908679 /nfs/dbraw/zinc/90/86/79/354908679.db2.gz QSMIMDNGYFOIPN-UHFFFAOYSA-N 2 0 256.393 2.704 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423295826 295892462 /nfs/dbraw/zinc/89/24/62/295892462.db2.gz FVEOVRYUPXPFEA-GWCFXTLKSA-N 2 0 268.788 2.738 20 0 CFADRP C[N@@H+]1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000424369715 283060257 /nfs/dbraw/zinc/06/02/57/283060257.db2.gz CENHMOVUTIJXFE-TVFCKZIOSA-N 2 0 287.451 2.681 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000666227803 540101396 /nfs/dbraw/zinc/10/13/96/540101396.db2.gz JDSUVEWFWPRNLY-DGCLKSJQSA-N 2 0 260.372 2.740 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)ccc2n1 ZINC000228689128 540112568 /nfs/dbraw/zinc/11/25/68/540112568.db2.gz PHQOBYIYOIERMZ-CZUORRHYSA-N 2 0 269.392 2.855 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000271824003 191349963 /nfs/dbraw/zinc/34/99/63/191349963.db2.gz CWDCSCREBNASEU-SNVBAGLBSA-N 2 0 265.426 2.672 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414926182 540128709 /nfs/dbraw/zinc/12/87/09/540128709.db2.gz MVLZCQOWFKSHTD-STQMWFEESA-N 2 0 250.411 2.768 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000271883872 191388346 /nfs/dbraw/zinc/38/83/46/191388346.db2.gz QDQBPMGLFWBOIL-KRWDZBQOSA-N 2 0 274.408 2.998 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631062799 355271286 /nfs/dbraw/zinc/27/12/86/355271286.db2.gz BHPMKQFKNZUKLM-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000271871454 191380864 /nfs/dbraw/zinc/38/08/64/191380864.db2.gz XWRZJFQLMNQTQJ-UHFFFAOYSA-N 2 0 296.361 2.682 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1oc2ccccc2c1Cl ZINC000631113268 355299050 /nfs/dbraw/zinc/29/90/50/355299050.db2.gz KSBYDLCLPJVGKS-UHFFFAOYSA-N 2 0 296.798 2.754 20 0 CFADRP C[C@@H](CC[NH2+]Cc1ccc(=O)[nH]c1)[N@H+](C)Cc1ccccc1 ZINC000631084202 355283786 /nfs/dbraw/zinc/28/37/86/355283786.db2.gz XPTJGKLMPGKPKA-HNNXBMFYSA-N 2 0 299.418 2.787 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccncc1 ZINC000631195868 355342826 /nfs/dbraw/zinc/34/28/26/355342826.db2.gz KYBQIKHDQLTXNV-APWZRJJASA-N 2 0 295.430 2.939 20 0 CFADRP C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000669430039 540150059 /nfs/dbraw/zinc/15/00/59/540150059.db2.gz KRWNPPBGOPEVEL-RHSMWYFYSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCCCC2)C1 ZINC000366954672 283099494 /nfs/dbraw/zinc/09/94/94/283099494.db2.gz MGCTYUWYZNMGJM-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631571650 355493166 /nfs/dbraw/zinc/49/31/66/355493166.db2.gz HHIABLDXFHXRCV-PBHICJAKSA-N 2 0 273.424 2.781 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631573620 355494691 /nfs/dbraw/zinc/49/46/91/355494691.db2.gz ZRYOTAJGHKSUOR-QAETUUGQSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631586607 355503095 /nfs/dbraw/zinc/50/30/95/355503095.db2.gz PYLAKOOUPREYBA-QZWWFDLISA-N 2 0 292.467 2.798 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000631562690 355488413 /nfs/dbraw/zinc/48/84/13/355488413.db2.gz OKVPLBMJBLZUEY-INIZCTEOSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000631653577 355534197 /nfs/dbraw/zinc/53/41/97/355534197.db2.gz WBBWPKZQNNCIAW-MWQQHZPXSA-N 2 0 258.409 2.862 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(C)s1 ZINC000631887611 355614964 /nfs/dbraw/zinc/61/49/64/355614964.db2.gz PJYAOBXRINPCEX-ZFWWWQNUSA-N 2 0 264.438 2.939 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000631823620 355595444 /nfs/dbraw/zinc/59/54/44/355595444.db2.gz JRYSKXNUJADFML-BHYGNILZSA-N 2 0 273.424 2.566 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889599 355615759 /nfs/dbraw/zinc/61/57/59/355615759.db2.gz IAKPSDPYTDGJQE-SJORKVTESA-N 2 0 288.435 2.702 20 0 CFADRP FC1(F)CC[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000631826421 355597498 /nfs/dbraw/zinc/59/74/98/355597498.db2.gz MVSVGUOSJWLVGC-TZMCWYRMSA-N 2 0 272.383 2.743 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCC(F)(F)C1)CC[NH2+]CC2 ZINC000631828947 355597710 /nfs/dbraw/zinc/59/77/10/355597710.db2.gz CISQIGHOGBDFII-QWHCGFSZSA-N 2 0 272.383 2.886 20 0 CFADRP C([C@H]1CCC[NH2+]C1)[NH+]1CCC2(CCSCC2)CC1 ZINC000631837425 355600000 /nfs/dbraw/zinc/60/00/00/355600000.db2.gz SCSZHTZPSNKYKB-AWEZNQCLSA-N 2 0 268.470 2.595 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000631836544 355600408 /nfs/dbraw/zinc/60/04/08/355600408.db2.gz BDRSVAAAOVFCGG-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP C(C[NH+]1CCC2(CCSCC2)CC1)C1CC[NH2+]CC1 ZINC000631837797 355600854 /nfs/dbraw/zinc/60/08/54/355600854.db2.gz XCAAZFRRNRHCTQ-UHFFFAOYSA-N 2 0 282.497 2.985 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Cl)C[C@H]1C[NH3+] ZINC000631838679 355601733 /nfs/dbraw/zinc/60/17/33/355601733.db2.gz SQIXVUHXMXIIRS-HFAKWTLXSA-N 2 0 264.800 2.854 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631839530 355602465 /nfs/dbraw/zinc/60/24/65/355602465.db2.gz HIKIXPAIEJAFCC-DZGCQCFKSA-N 2 0 262.397 2.500 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842321 355604020 /nfs/dbraw/zinc/60/40/20/355604020.db2.gz YTIBIEJFFZRHTK-DZGCQCFKSA-N 2 0 262.397 2.500 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887079 355613943 /nfs/dbraw/zinc/61/39/43/355613943.db2.gz LZZGAWRBZBJBQK-NVXWUHKLSA-N 2 0 258.409 2.877 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888631 355614149 /nfs/dbraw/zinc/61/41/49/355614149.db2.gz YDKLCTUHSCHSJQ-QZWWFDLISA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC[N@@H+]1C ZINC000631730679 355567397 /nfs/dbraw/zinc/56/73/97/355567397.db2.gz ARIMEALTHYUZHE-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887671 355614529 /nfs/dbraw/zinc/61/45/29/355614529.db2.gz POZIBTNNECEIHU-YOEHRIQHSA-N 2 0 297.402 2.514 20 0 CFADRP Clc1cccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887291 355614759 /nfs/dbraw/zinc/61/47/59/355614759.db2.gz QDRIJBZYYDLFBX-CZUORRHYSA-N 2 0 294.826 2.793 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc32)[C@H](C)C1 ZINC000247058944 540192423 /nfs/dbraw/zinc/19/24/23/540192423.db2.gz PLDWGHBCCAFUSF-UNEWFSDZSA-N 2 0 258.409 2.646 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000666207920 540193079 /nfs/dbraw/zinc/19/30/79/540193079.db2.gz HWTTYQFPTNUMPM-XEZPLFJOSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000353985788 283134100 /nfs/dbraw/zinc/13/41/00/283134100.db2.gz FEHLUZSXRPBGBU-GRYCIOLGSA-N 2 0 276.346 2.791 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@@H]2CCC[C@H]21 ZINC000414305840 283139819 /nfs/dbraw/zinc/13/98/19/283139819.db2.gz GBNIHDIMJKJVJZ-XPABHHOTSA-N 2 0 254.393 2.730 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334548045 283170163 /nfs/dbraw/zinc/17/01/63/283170163.db2.gz LUGMVBCJFYZWBB-AWEZNQCLSA-N 2 0 272.383 2.840 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086880507 540255106 /nfs/dbraw/zinc/25/51/06/540255106.db2.gz KANLJNLHIVXEPM-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP COC(=O)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000347961709 291112399 /nfs/dbraw/zinc/11/23/99/291112399.db2.gz NSEDRUSTOMDNAY-JKSUJKDBSA-N 2 0 296.455 2.572 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422712765 283214093 /nfs/dbraw/zinc/21/40/93/283214093.db2.gz OQLMOZBRIGLDKF-JKSUJKDBSA-N 2 0 269.477 2.748 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000333288279 283263482 /nfs/dbraw/zinc/26/34/82/283263482.db2.gz NYFCUXPDTYCWKZ-MELADBBJSA-N 2 0 279.428 2.592 20 0 CFADRP CCC[N@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CC[NH2+]CC1 ZINC000346993817 283280665 /nfs/dbraw/zinc/28/06/65/283280665.db2.gz AVIHCMJVZWWYID-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073657 540282135 /nfs/dbraw/zinc/28/21/35/540282135.db2.gz COPYUUOTUZPCJB-CVEARBPZSA-N 2 0 274.408 2.590 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000339066777 540282655 /nfs/dbraw/zinc/28/26/55/540282655.db2.gz KDDQFVNOSXTDTO-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC(C)C ZINC000339067500 540282889 /nfs/dbraw/zinc/28/28/89/540282889.db2.gz KWLSFCNYEPHRTR-BZSNNMDCSA-N 2 0 295.515 2.959 20 0 CFADRP Fc1cccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339065450 540282966 /nfs/dbraw/zinc/28/29/66/540282966.db2.gz CGBNFKFEACAYBV-IRXDYDNUSA-N 2 0 276.399 2.975 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1COc2ccccc21 ZINC000415086418 299270005 /nfs/dbraw/zinc/27/00/05/299270005.db2.gz SEJCASLVLMJSSH-USPMSXPRSA-N 2 0 274.408 2.658 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446753021 283321399 /nfs/dbraw/zinc/32/13/99/283321399.db2.gz RADCKXGCTKYVDP-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]1C[N@H+](CCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000147454652 540385917 /nfs/dbraw/zinc/38/59/17/540385917.db2.gz QIJLHIIDKNLVIB-HOCLYGCPSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCO2 ZINC000296026556 299273318 /nfs/dbraw/zinc/27/33/18/299273318.db2.gz SJZWGBNTBUYHOU-RJCAOGMDSA-N 2 0 286.419 2.897 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000294924403 199252190 /nfs/dbraw/zinc/25/21/90/199252190.db2.gz CUVYARONYGYWOC-CJNGLKHVSA-N 2 0 278.465 2.979 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccsc1 ZINC000296510275 199915495 /nfs/dbraw/zinc/91/54/95/199915495.db2.gz QMHJIZXKJAUSJC-GDBMZVCRSA-N 2 0 295.496 2.815 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2c(C)noc2C)CC1 ZINC000152064518 540432721 /nfs/dbraw/zinc/43/27/21/540432721.db2.gz CZRGPRAXEIQBIY-LBPRGKRZSA-N 2 0 279.428 2.686 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cncs1 ZINC000162853630 299290347 /nfs/dbraw/zinc/29/03/47/299290347.db2.gz NANZUHHGAKQASD-MCIONIFRSA-N 2 0 297.468 2.683 20 0 CFADRP C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422882643 299290405 /nfs/dbraw/zinc/29/04/05/299290405.db2.gz PIWNVTLNBAXRCA-MHORFTMASA-N 2 0 295.515 2.865 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000678593744 540462879 /nfs/dbraw/zinc/46/28/79/540462879.db2.gz NCNIXSDBFNJHQQ-WBAXXEDZSA-N 2 0 272.436 2.938 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000152376657 540469198 /nfs/dbraw/zinc/46/91/98/540469198.db2.gz OSIJLBMSSUFOGX-IXDOHACOSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000422735432 237147336 /nfs/dbraw/zinc/14/73/36/237147336.db2.gz USIDNAPCGSSPFU-QMHWVQJVSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422734608 237149164 /nfs/dbraw/zinc/14/91/64/237149164.db2.gz UHPFZDNMUAEDOE-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP COc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC000669707362 540521823 /nfs/dbraw/zinc/52/18/23/540521823.db2.gz LCTSZFQGVGDMIO-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000422740170 237154728 /nfs/dbraw/zinc/15/47/28/237154728.db2.gz AXJKXLUYVBINAC-HOTGVXAUSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422710174 237127879 /nfs/dbraw/zinc/12/78/79/237127879.db2.gz FAXCKFJULWKJTA-KGLIPLIRSA-N 2 0 293.430 2.506 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422713543 237131590 /nfs/dbraw/zinc/13/15/90/237131590.db2.gz PQXKHRCMEDZXQY-WMZOPIPTSA-N 2 0 290.451 2.614 20 0 CFADRP c1nc([C@@H]2CCC[N@@H+]([C@@H]3CCCOC3)C2)n2c1CCCC2 ZINC000669694761 540511542 /nfs/dbraw/zinc/51/15/42/540511542.db2.gz CXYHHDHXXHLDPK-GDBMZVCRSA-N 2 0 289.423 2.578 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422717629 237135983 /nfs/dbraw/zinc/13/59/83/237135983.db2.gz VVJINKGHQSSUSU-LESCRADOSA-N 2 0 272.436 2.985 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000422726808 237141327 /nfs/dbraw/zinc/14/13/27/237141327.db2.gz GAASVWKALGMPMQ-ROUUACIJSA-N 2 0 294.398 2.898 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000422727275 237142896 /nfs/dbraw/zinc/14/28/96/237142896.db2.gz HAMFUQYWUPCBEE-BRWVUGGUSA-N 2 0 293.430 2.678 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422742631 237157008 /nfs/dbraw/zinc/15/70/08/237157008.db2.gz SDUORILMBQBSSR-LSVZVQIISA-N 2 0 274.408 2.635 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000422766614 237181813 /nfs/dbraw/zinc/18/18/13/237181813.db2.gz RZPUHPUYCQCPJO-ZBFHGGJFSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773014 237189844 /nfs/dbraw/zinc/18/98/44/237189844.db2.gz XSWBALKBIYPPFM-SMDDNHRTSA-N 2 0 284.350 2.766 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@H]1[NH3+] ZINC000251583557 540541032 /nfs/dbraw/zinc/54/10/32/540541032.db2.gz CKKVFMNFHQNRHN-DZGCQCFKSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000422752376 237166583 /nfs/dbraw/zinc/16/65/83/237166583.db2.gz CSSZPFNQJVDBRG-XDQVBPFNSA-N 2 0 256.434 2.543 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422754144 237167858 /nfs/dbraw/zinc/16/78/58/237167858.db2.gz AEUDCOQBVFDTND-BBRMVZONSA-N 2 0 276.399 2.964 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435783591 240352204 /nfs/dbraw/zinc/35/22/04/240352204.db2.gz YIJAGNJYGGXMIF-QSPRXWTASA-N 2 0 258.409 2.862 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422773722 237191636 /nfs/dbraw/zinc/19/16/36/237191636.db2.gz UTBYUMQRMBPHOB-QAPCUYQASA-N 2 0 298.434 2.706 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422759214 237171920 /nfs/dbraw/zinc/17/19/20/237171920.db2.gz KMZWXPPECBQJHI-KBPBESRZSA-N 2 0 294.414 2.589 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422760192 237175475 /nfs/dbraw/zinc/17/54/75/237175475.db2.gz KPDWJVCEKFLLDT-SWLSCSKDSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCSc1ccccc1 ZINC000422759947 237176065 /nfs/dbraw/zinc/17/60/65/237176065.db2.gz PPVGYRCVDICIQQ-QWHCGFSZSA-N 2 0 252.427 2.884 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(Br)cc1 ZINC000422765304 237177882 /nfs/dbraw/zinc/17/78/82/237177882.db2.gz QTCHAJUPFJSUNB-WDEREUQCSA-N 2 0 285.229 2.707 20 0 CFADRP C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422794570 237219099 /nfs/dbraw/zinc/21/90/99/237219099.db2.gz ZBQPYJNXACJHIN-CRAIPNDOSA-N 2 0 287.451 2.513 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795396 237219367 /nfs/dbraw/zinc/21/93/67/237219367.db2.gz VKPVLSGKHZAKFC-QZTJIDSGSA-N 2 0 287.451 2.642 20 0 CFADRP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422804385 237228573 /nfs/dbraw/zinc/22/85/73/237228573.db2.gz KIMDRXXBTLEWLP-HRCADAONSA-N 2 0 280.362 2.975 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422802492 237227492 /nfs/dbraw/zinc/22/74/92/237227492.db2.gz DJCFZBGHIGSQAT-BLLLJJGKSA-N 2 0 297.402 2.503 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251914115 540554624 /nfs/dbraw/zinc/55/46/24/540554624.db2.gz XYAJVNRKGYFZRV-YWPYICTPSA-N 2 0 250.361 2.946 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422777087 237196682 /nfs/dbraw/zinc/19/66/82/237196682.db2.gz FCWXYNCBAFKVRM-ZIAGYGMSSA-N 2 0 262.397 2.878 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422783244 237202483 /nfs/dbraw/zinc/20/24/83/237202483.db2.gz NWYRFNWOOWEULO-DAXOMENPSA-N 2 0 262.397 2.658 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422782504 237203124 /nfs/dbraw/zinc/20/31/24/237203124.db2.gz NFSCCSDTKMPRJY-CJNGLKHVSA-N 2 0 280.387 2.702 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422784680 237205062 /nfs/dbraw/zinc/20/50/62/237205062.db2.gz QCWKUAUMGUKVPB-SGMGOOAPSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Sc1ccccc1 ZINC000422785765 237205275 /nfs/dbraw/zinc/20/52/75/237205275.db2.gz JYXSCSGUGGRZFI-NFAWXSAZSA-N 2 0 264.438 2.884 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422789639 237211761 /nfs/dbraw/zinc/21/17/61/237211761.db2.gz OQUUCVDKFASSFY-KFWWJZLASA-N 2 0 292.423 2.712 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422788916 237211902 /nfs/dbraw/zinc/21/19/02/237211902.db2.gz WBTCYMFXMQMJGK-KBPBESRZSA-N 2 0 264.413 2.906 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc21 ZINC000422818574 237246956 /nfs/dbraw/zinc/24/69/56/237246956.db2.gz KUANOUZGRAZPIE-SJORKVTESA-N 2 0 292.386 2.611 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415164 540562623 /nfs/dbraw/zinc/56/26/23/540562623.db2.gz KMEWAVXIBYTWNZ-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417366 540562636 /nfs/dbraw/zinc/56/26/36/540562636.db2.gz RHFUFPLRPSDZSE-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000252909916 540569352 /nfs/dbraw/zinc/56/93/52/540569352.db2.gz BKJPXHQYBFYVKE-DTZQCDIJSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN(C)c1ccccc1 ZINC000422813061 237238973 /nfs/dbraw/zinc/23/89/73/237238973.db2.gz RISMUAXRXBUNSP-LPHOPBHVSA-N 2 0 297.446 2.671 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422814517 237240260 /nfs/dbraw/zinc/24/02/60/237240260.db2.gz VGBJSURZBOMGGP-ZJIFWQFVSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000422813933 237241306 /nfs/dbraw/zinc/24/13/06/237241306.db2.gz ZEGJYPNVDGDFAC-NSHDSACASA-N 2 0 273.355 2.839 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422854479 237277348 /nfs/dbraw/zinc/27/73/48/237277348.db2.gz AUDSBNUQSSIDDE-WBVHZDCISA-N 2 0 276.424 2.742 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000669850391 540592705 /nfs/dbraw/zinc/59/27/05/540592705.db2.gz QZLBZINCXHTRFK-WDEREUQCSA-N 2 0 264.335 2.791 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000669850389 540592862 /nfs/dbraw/zinc/59/28/62/540592862.db2.gz QZLBZINCXHTRFK-MNOVXSKESA-N 2 0 264.335 2.791 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N(C)c1ccccc1 ZINC000422863310 237281453 /nfs/dbraw/zinc/28/14/53/237281453.db2.gz ONPRUGOUVYDSNK-HLLBOEOZSA-N 2 0 275.440 2.618 20 0 CFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422864564 237286859 /nfs/dbraw/zinc/28/68/59/237286859.db2.gz VIKWAQDEXLPDOL-MNOVXSKESA-N 2 0 297.830 2.692 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422866867 237286889 /nfs/dbraw/zinc/28/68/89/237286889.db2.gz RIOJSNIPTHEEGX-BLLLJJGKSA-N 2 0 264.388 2.654 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1C ZINC000666950908 540596157 /nfs/dbraw/zinc/59/61/57/540596157.db2.gz QEIOACMORPCXNN-INIZCTEOSA-N 2 0 258.409 2.844 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953858 540596389 /nfs/dbraw/zinc/59/63/89/540596389.db2.gz JNRFCPCUBUIZCI-CZUORRHYSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666953543 540596430 /nfs/dbraw/zinc/59/64/30/540596430.db2.gz AZIGECPUYQKKMM-HOCLYGCPSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954044 540596982 /nfs/dbraw/zinc/59/69/82/540596982.db2.gz OKCNYTJUGKJRIC-CZUORRHYSA-N 2 0 276.399 2.879 20 0 CFADRP COC1CCC(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422840661 237265622 /nfs/dbraw/zinc/26/56/22/237265622.db2.gz UIHXCOQBMUETHF-XEBKBJJBSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842085 237266881 /nfs/dbraw/zinc/26/68/81/237266881.db2.gz XNOPITOLLBIIAU-SGMGOOAPSA-N 2 0 281.831 2.634 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000422843660 237269349 /nfs/dbraw/zinc/26/93/49/237269349.db2.gz JDMGBWHSLDJXDJ-CYBMUJFWSA-N 2 0 260.425 2.724 20 0 CFADRP C[C@]1(C[NH2+]C[C@H]2CCOc3ccccc32)CCC[NH2+]C1 ZINC000666843147 540586320 /nfs/dbraw/zinc/58/63/20/540586320.db2.gz BTWWWXJUFMHMDA-PBHICJAKSA-N 2 0 274.408 2.532 20 0 CFADRP C[C@]1(C[NH2+]Cc2cccc3cnccc32)CCC[NH2+]C1 ZINC000666843143 540586521 /nfs/dbraw/zinc/58/65/21/540586521.db2.gz BKVHIGNPIMPRGL-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2s1 ZINC000666857705 540587676 /nfs/dbraw/zinc/58/76/76/540587676.db2.gz FYDUAWBBEIHWEP-ZDUSSCGKSA-N 2 0 275.421 2.836 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])c[nH]c2c1 ZINC000422850562 237273700 /nfs/dbraw/zinc/27/37/00/237273700.db2.gz WCFUPPNMNSLANI-CJNGLKHVSA-N 2 0 271.408 2.736 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422883777 237306520 /nfs/dbraw/zinc/30/65/20/237306520.db2.gz RBQKBFNVFJWQTN-IKGGRYGDSA-N 3 0 281.488 2.606 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422887452 237308250 /nfs/dbraw/zinc/30/82/50/237308250.db2.gz YSTRZZCHJFNWJV-BRWVUGGUSA-N 3 0 281.488 2.619 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C)cc1C ZINC000422890596 237313071 /nfs/dbraw/zinc/31/30/71/237313071.db2.gz SNAYSSHHGWOIJI-DOTOQJQBSA-N 2 0 278.440 2.578 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])sc1C ZINC000422894122 237315214 /nfs/dbraw/zinc/31/52/14/237315214.db2.gz SEGWJZAQZWBQOS-CHWSQXEVSA-N 2 0 267.442 2.552 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000422892616 237317570 /nfs/dbraw/zinc/31/75/70/237317570.db2.gz YXWLSZXOUOMAIN-OLZOCXBDSA-N 2 0 267.442 2.552 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000679334116 540611357 /nfs/dbraw/zinc/61/13/57/540611357.db2.gz HOQJHFGIFNRWHB-ZACQAIPSSA-N 2 0 284.488 2.885 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906710 237326653 /nfs/dbraw/zinc/32/66/53/237326653.db2.gz AHGZFGVEXMEWJL-SJORKVTESA-N 2 0 291.439 2.699 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422905886 237328296 /nfs/dbraw/zinc/32/82/96/237328296.db2.gz ZRWDEAZHOPOONO-CABCVRRESA-N 2 0 264.413 2.788 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422908197 237331618 /nfs/dbraw/zinc/33/16/18/237331618.db2.gz MDDIPYOHZCDULY-BRWVUGGUSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422909398 237333318 /nfs/dbraw/zinc/33/33/18/237333318.db2.gz FUPHUTVWEVDCSP-BBRMVZONSA-N 2 0 274.408 2.835 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422919233 237350600 /nfs/dbraw/zinc/35/06/00/237350600.db2.gz JHLWGZUABYXMCH-HRCADAONSA-N 2 0 280.387 2.763 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943544 237373910 /nfs/dbraw/zinc/37/39/10/237373910.db2.gz KRHIJYPZXJEEGZ-VXGBXAGGSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000422921844 237354658 /nfs/dbraw/zinc/35/46/58/237354658.db2.gz PEAKMPRGOSFJJO-SRVKXCTJSA-N 2 0 270.804 2.823 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000422925553 237358208 /nfs/dbraw/zinc/35/82/08/237358208.db2.gz AZZWTFDRWDCKBS-YDHLFZDLSA-N 2 0 292.423 2.743 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422934108 237360699 /nfs/dbraw/zinc/36/06/99/237360699.db2.gz FIAAPDCXQVNJTP-MNOVXSKESA-N 2 0 297.240 2.578 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cccc2ccccc21 ZINC000422937781 237367156 /nfs/dbraw/zinc/36/71/56/237367156.db2.gz OULCFZBZJCHPPS-QGZVFWFLSA-N 2 0 286.419 2.726 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422936703 237367562 /nfs/dbraw/zinc/36/75/62/237367562.db2.gz FSSBFEZMOGXXEP-CABCVRRESA-N 2 0 282.815 2.968 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000422940025 237372290 /nfs/dbraw/zinc/37/22/90/237372290.db2.gz MWYZMYMZYYNYFE-YUMQZZPRSA-N 2 0 277.231 2.726 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422940298 237372725 /nfs/dbraw/zinc/37/27/25/237372725.db2.gz GVLSOGNNKKPWLP-HIFRSBDPSA-N 2 0 266.816 2.990 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc21 ZINC000422946686 237378000 /nfs/dbraw/zinc/37/80/00/237378000.db2.gz XDIKUMLCGYIAGU-IRXDYDNUSA-N 2 0 286.350 2.939 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H](C)CCCC[NH3+] ZINC000422951540 237383196 /nfs/dbraw/zinc/38/31/96/237383196.db2.gz YZDFKSPAKVHIHO-OAHLLOKOSA-N 2 0 264.413 2.789 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422950659 237383251 /nfs/dbraw/zinc/38/32/51/237383251.db2.gz WJUUERHVVMUCPN-XWCIJXRUSA-N 2 0 290.407 2.624 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422954643 237386320 /nfs/dbraw/zinc/38/63/20/237386320.db2.gz JMGHWJUXGQYAIP-SMDDNHRTSA-N 2 0 270.779 2.739 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C1CCCCC1 ZINC000423024329 237453356 /nfs/dbraw/zinc/45/33/56/237453356.db2.gz LLVUBQWBYDQGNK-OAHLLOKOSA-N 2 0 270.461 2.936 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CF)CCOCC1 ZINC000423156320 296001542 /nfs/dbraw/zinc/00/15/42/296001542.db2.gz SASIULFJCDUBKS-LSDHHAIUSA-N 2 0 286.435 2.653 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000297610972 200241493 /nfs/dbraw/zinc/24/14/93/200241493.db2.gz INLKHTQYAIPCQO-UKRRQHHQSA-N 2 0 295.496 2.591 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297583394 200233633 /nfs/dbraw/zinc/23/36/33/200233633.db2.gz SFGYYBWIKRDAMH-UHFFFAOYSA-N 2 0 283.379 2.710 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](CC)CO1 ZINC000403845613 540674547 /nfs/dbraw/zinc/67/45/47/540674547.db2.gz QPVXXMFAQWJSGS-IAGOWNOFSA-N 2 0 288.435 2.722 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423398616 283495720 /nfs/dbraw/zinc/49/57/20/283495720.db2.gz DEBUBTPWCGLOLO-HUUCEWRRSA-N 2 0 270.461 2.807 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000333342010 283503428 /nfs/dbraw/zinc/50/34/28/283503428.db2.gz YHTHGSPNHFXCRK-ZBFHGGJFSA-N 2 0 273.424 2.568 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000298224808 200365024 /nfs/dbraw/zinc/36/50/24/200365024.db2.gz UUATUTRKAYHQPX-SJORKVTESA-N 2 0 276.424 2.574 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCN(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154023 540689632 /nfs/dbraw/zinc/68/96/32/540689632.db2.gz NDERRLPGZKGGPO-HJWJTTGWSA-N 2 0 258.409 2.862 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000298267098 200377187 /nfs/dbraw/zinc/37/71/87/200377187.db2.gz GCUMTELQTQWPDG-CQSZACIVSA-N 2 0 266.816 2.814 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000161789760 540698944 /nfs/dbraw/zinc/69/89/44/540698944.db2.gz FHKKXXISJCEVTN-ZNMIVQPWSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000382470485 540704215 /nfs/dbraw/zinc/70/42/15/540704215.db2.gz BMSMQNUMVCAHTL-INWMFGNUSA-N 2 0 262.372 2.948 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000177301756 189042884 /nfs/dbraw/zinc/04/28/84/189042884.db2.gz YMFISUWPWOFEMQ-KBPBESRZSA-N 2 0 295.858 2.627 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000178301057 189104935 /nfs/dbraw/zinc/10/49/35/189104935.db2.gz IHARFUSAPHPVMD-ZDUSSCGKSA-N 2 0 282.403 2.792 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2C)[C@H](C)C1 ZINC000178260468 189101439 /nfs/dbraw/zinc/10/14/39/189101439.db2.gz KPRHIKHGDJAYBQ-NVXWUHKLSA-N 2 0 260.425 2.857 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000683779569 540779983 /nfs/dbraw/zinc/77/99/83/540779983.db2.gz DVKIEPNBCQLHIG-CALCHBBNSA-N 2 0 256.393 2.605 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000178549303 189126228 /nfs/dbraw/zinc/12/62/28/189126228.db2.gz PUROAFSAZCQCKW-VMUDFCTBSA-N 2 0 276.424 2.558 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683830357 540781560 /nfs/dbraw/zinc/78/15/60/540781560.db2.gz MZYPFSUWXOUYDC-OAHLLOKOSA-N 2 0 269.392 2.618 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054241409 540781587 /nfs/dbraw/zinc/78/15/87/540781587.db2.gz BKBIJFDLESXRGB-LBPRGKRZSA-N 2 0 252.427 2.611 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000054243269 540782036 /nfs/dbraw/zinc/78/20/36/540782036.db2.gz FGEAQAISWJCSGB-OAHLLOKOSA-N 2 0 260.425 2.896 20 0 CFADRP Cc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178636968 189133287 /nfs/dbraw/zinc/13/32/87/189133287.db2.gz BTFZOMLZRFSQHO-IAGOWNOFSA-N 2 0 258.409 2.911 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000423467517 283581372 /nfs/dbraw/zinc/58/13/72/283581372.db2.gz JDSFNBBHBDHJOK-FIDHJVLJSA-N 2 0 280.456 2.689 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000435873719 240364171 /nfs/dbraw/zinc/36/41/71/240364171.db2.gz FTWJPLHIVTVGOR-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163898934 540811819 /nfs/dbraw/zinc/81/18/19/540811819.db2.gz GQUOAKWWBWJOJH-OLZOCXBDSA-N 2 0 282.428 2.835 20 0 CFADRP C[C@@H]([N@H+](C)Cc1cccc2c1CC[NH2+]C2)C1(C)CC1 ZINC000385486826 540814789 /nfs/dbraw/zinc/81/47/89/540814789.db2.gz CVRPFKNVNBGLBB-CYBMUJFWSA-N 2 0 258.409 2.953 20 0 CFADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423103789 238201726 /nfs/dbraw/zinc/20/17/26/238201726.db2.gz GPLJGZIGWVEHMX-NWBUJAPZSA-N 2 0 258.356 2.540 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1OC(C)C ZINC000414906963 540829891 /nfs/dbraw/zinc/82/98/91/540829891.db2.gz ACIMQXJYAKFOPM-HUUCEWRRSA-N 2 0 292.423 2.842 20 0 CFADRP CSc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423093734 238197655 /nfs/dbraw/zinc/19/76/55/238197655.db2.gz AFWKKEOBQGFJBI-QWRGUYRKSA-N 2 0 250.411 2.667 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])C1 ZINC000423094672 238198307 /nfs/dbraw/zinc/19/83/07/238198307.db2.gz COWNIGIXBDBGMR-IFCWYPFCSA-N 2 0 288.435 2.583 20 0 CFADRP C[C@H]([NH2+]CCCc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000423099352 238199290 /nfs/dbraw/zinc/19/92/90/238199290.db2.gz TWTCWWHUNQFAAY-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP C[NH2+]CCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000435877013 240364875 /nfs/dbraw/zinc/36/48/75/240364875.db2.gz MPZJONIVKLIVTM-FUHWJXTLSA-N 2 0 289.467 2.581 20 0 CFADRP c1ccc([C@H]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)O2)cc1 ZINC000423122833 238214181 /nfs/dbraw/zinc/21/41/81/238214181.db2.gz LECRXYGXMBDZGJ-ZFHLEULCSA-N 2 0 286.419 2.779 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000414925187 540830982 /nfs/dbraw/zinc/83/09/82/540830982.db2.gz LKGSQZWHWXLLEX-LMSBXDPUSA-N 2 0 293.499 2.889 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000414936647 540831990 /nfs/dbraw/zinc/83/19/90/540831990.db2.gz ZJGAPJUVKBOWSQ-OLZOCXBDSA-N 2 0 256.752 2.839 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423109256 238204686 /nfs/dbraw/zinc/20/46/86/238204686.db2.gz URLOMIQGOOWLJG-ANQUJSFKSA-N 2 0 258.409 2.958 20 0 CFADRP [NH3+]CCC[NH2+]CC1(c2cccc(Br)c2)CCC1 ZINC000415088180 540834078 /nfs/dbraw/zinc/83/40/78/540834078.db2.gz XFTGJEMTSKRLGG-UHFFFAOYSA-N 2 0 297.240 2.809 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423111607 238205436 /nfs/dbraw/zinc/20/54/36/238205436.db2.gz QRLPWQGLCFIJEQ-LSDHHAIUSA-N 2 0 264.438 2.767 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179103692 189170201 /nfs/dbraw/zinc/17/02/01/189170201.db2.gz ORZWHFJGVORXDU-NEPJUHHUSA-N 2 0 279.815 2.870 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118193 238209825 /nfs/dbraw/zinc/20/98/25/238209825.db2.gz ZGBHIIDYEVVRSI-RYUDHWBXSA-N 2 0 277.387 2.955 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000423120067 238210710 /nfs/dbraw/zinc/21/07/10/238210710.db2.gz GCHQBKWDVZDRFD-BMQDGWLCSA-N 2 0 287.329 2.840 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423139179 238227365 /nfs/dbraw/zinc/22/73/65/238227365.db2.gz ZDBOVIYPNJZDEJ-GHMZBOCLSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000670263703 540844536 /nfs/dbraw/zinc/84/45/36/540844536.db2.gz NWMLPHPAUUTKBJ-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423146531 238233120 /nfs/dbraw/zinc/23/31/20/238233120.db2.gz ARTPXWWYGBLOKC-AWEZNQCLSA-N 2 0 298.434 2.836 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423148619 238234175 /nfs/dbraw/zinc/23/41/75/238234175.db2.gz WEBJEISIBVQNCF-GHMZBOCLSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(C)(C)C ZINC000670265679 540846661 /nfs/dbraw/zinc/84/66/61/540846661.db2.gz RQXHMLKSGVVLPQ-FXUDXRNXSA-N 2 0 282.472 2.852 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000423156065 238239728 /nfs/dbraw/zinc/23/97/28/238239728.db2.gz LZLBTXDMBZZIKD-RYUDHWBXSA-N 2 0 250.361 2.616 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2)c1 ZINC000423154548 238239895 /nfs/dbraw/zinc/23/98/95/238239895.db2.gz JQDVXSCMHPPGEG-QHSBEEBCSA-N 2 0 262.397 2.657 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC000670267836 540848837 /nfs/dbraw/zinc/84/88/37/540848837.db2.gz VSHFCHVJWFEGAP-GJZGRUSLSA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)c1OC ZINC000423132444 238222540 /nfs/dbraw/zinc/22/25/40/238222540.db2.gz UOXUXAMHOPQBBH-MDZLAQPJSA-N 2 0 280.412 2.789 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423134428 238223009 /nfs/dbraw/zinc/22/30/09/238223009.db2.gz RVSSITMVSBKPNT-BBRMVZONSA-N 2 0 262.372 2.920 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000670268577 540849864 /nfs/dbraw/zinc/84/98/64/540849864.db2.gz RKFYOTAGWQCVEH-KGLIPLIRSA-N 2 0 258.450 2.615 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@H](C)O1 ZINC000423174236 238252317 /nfs/dbraw/zinc/25/23/17/238252317.db2.gz BSZBXVWKYNBDFX-RNGXCGTMSA-N 2 0 280.456 2.700 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)c2ccccc12 ZINC000423173326 238253146 /nfs/dbraw/zinc/25/31/46/238253146.db2.gz XYIXHZJSVIKFOJ-MRXNPFEDSA-N 2 0 286.419 2.992 20 0 CFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423173783 238253421 /nfs/dbraw/zinc/25/34/21/238253421.db2.gz AAJLTMSEBHMILB-XPABHHOTSA-N 2 0 260.381 2.646 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000423173414 238254127 /nfs/dbraw/zinc/25/41/27/238254127.db2.gz YMSBDHOROIWTJO-ZDSQKVDBSA-N 2 0 268.763 2.533 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423178321 238255855 /nfs/dbraw/zinc/25/58/55/238255855.db2.gz BTVORNBJFLQSDT-AKHDSKFASA-N 2 0 299.462 2.524 20 0 CFADRP COCCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423177537 238256086 /nfs/dbraw/zinc/25/60/86/238256086.db2.gz FDBYRFJFKFZJFO-INIZCTEOSA-N 2 0 280.387 2.635 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423178322 238256220 /nfs/dbraw/zinc/25/62/20/238256220.db2.gz BTVORNBJFLQSDT-CADBVGFASA-N 2 0 299.462 2.524 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC2CC[NH2+]CC2)C3)cc1 ZINC000423184675 238260197 /nfs/dbraw/zinc/26/01/97/238260197.db2.gz MSDUHTJKBROPCJ-REPLKXPHSA-N 2 0 299.462 2.524 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000423182662 238261698 /nfs/dbraw/zinc/26/16/98/238261698.db2.gz QXZDAHYDHSPXSR-SNVBAGLBSA-N 2 0 276.409 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423204940 238276889 /nfs/dbraw/zinc/27/68/89/238276889.db2.gz AVWWLYUPCUIJSM-SOUVJXGZSA-N 2 0 275.440 2.791 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000387542781 540867043 /nfs/dbraw/zinc/86/70/43/540867043.db2.gz PNHOQVCOJURLIE-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423238356 238300393 /nfs/dbraw/zinc/30/03/93/238300393.db2.gz ABCIDZVBEVPXPW-KDOFPFPSSA-N 2 0 288.435 2.606 20 0 CFADRP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)COC1CCCC1 ZINC000166400017 540895453 /nfs/dbraw/zinc/89/54/53/540895453.db2.gz XTKADLPCAOJCSD-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccccc1OC(F)F ZINC000423229169 238292939 /nfs/dbraw/zinc/29/29/39/238292939.db2.gz GPZZJAIJGUTLNF-VHSXEESVSA-N 2 0 258.312 2.676 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000423230685 238293610 /nfs/dbraw/zinc/29/36/10/238293610.db2.gz FBSVBXBHLIYROR-BZUAXINKSA-N 2 0 273.424 2.758 20 0 CFADRP Cc1c([C@H](C)[NH2+]C2CCC([NH3+])CC2)cnn1C(C)(C)C ZINC000423231823 238296516 /nfs/dbraw/zinc/29/65/16/238296516.db2.gz MCBZPYCGAWNFJB-XGNXJENSSA-N 2 0 278.444 2.867 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423221275 238285990 /nfs/dbraw/zinc/28/59/90/238285990.db2.gz ZPTDACJHBCOCFM-GXTWGEPZSA-N 2 0 278.444 2.597 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423222663 238287502 /nfs/dbraw/zinc/28/75/02/238287502.db2.gz CAESIIWYIFWVMI-NUEKZKHPSA-N 2 0 276.424 2.697 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423239634 238300712 /nfs/dbraw/zinc/30/07/12/238300712.db2.gz BOMPQUGAQPCWFN-RYUDHWBXSA-N 2 0 264.438 2.887 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccnc2)cc1 ZINC000423248745 238306356 /nfs/dbraw/zinc/30/63/56/238306356.db2.gz NRZMMLZONVLMHV-RDTXWAMCSA-N 2 0 299.393 2.899 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423254429 238311309 /nfs/dbraw/zinc/31/13/09/238311309.db2.gz YBDBHVVPBLDTCT-KBPBESRZSA-N 2 0 269.392 2.885 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000423254978 238313302 /nfs/dbraw/zinc/31/33/02/238313302.db2.gz AFSGBUKFZPCSFR-CHWSQXEVSA-N 2 0 280.387 2.875 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000423259760 238314022 /nfs/dbraw/zinc/31/40/22/238314022.db2.gz OTYAKOUYJAORSP-KGLIPLIRSA-N 2 0 292.423 2.744 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423262728 238317611 /nfs/dbraw/zinc/31/76/11/238317611.db2.gz VWWISZUFYLUFFL-STQMWFEESA-N 2 0 250.361 2.866 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cnn1C(C)C ZINC000423266353 238323642 /nfs/dbraw/zinc/32/36/42/238323642.db2.gz BTTFNXVUKGADTJ-BJJXKVORSA-N 2 0 278.444 2.941 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)oc1C ZINC000423267453 238324404 /nfs/dbraw/zinc/32/44/04/238324404.db2.gz FBTCTPSEDVRPPG-OCCSQVGLSA-N 2 0 250.386 2.937 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000389204004 540936029 /nfs/dbraw/zinc/93/60/29/540936029.db2.gz AOFAGCOGJFVEHW-GOEBONIOSA-N 2 0 262.372 2.887 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1 ZINC000423275096 238333247 /nfs/dbraw/zinc/33/32/47/238333247.db2.gz MUKFZSSKPQLKKD-OAGGEKHMSA-N 2 0 275.440 2.989 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1 ZINC000423275098 238333484 /nfs/dbraw/zinc/33/34/84/238333484.db2.gz MUKFZSSKPQLKKD-PMPSAXMXSA-N 2 0 275.440 2.989 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423275619 238333933 /nfs/dbraw/zinc/33/39/33/238333933.db2.gz LZRLIKMWDWMHRV-LLLHUVSDSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC(C)(C)[NH3+] ZINC000423287363 238348663 /nfs/dbraw/zinc/34/86/63/238348663.db2.gz LSUGQMUWSRGTNK-SNVBAGLBSA-N 2 0 256.340 2.613 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])ccc1OC(F)F ZINC000423296900 238353223 /nfs/dbraw/zinc/35/32/23/238353223.db2.gz HXSPVANUCJOHIX-ZJUUUORDSA-N 2 0 288.338 2.542 20 0 CFADRP Cc1cc([C@@H]([NH2+]C[C@@H](C)C[NH3+])C2CC2)ccc1F ZINC000423302034 238358283 /nfs/dbraw/zinc/35/82/83/238358283.db2.gz GQPZYBZHLQWRLV-BONVTDFDSA-N 2 0 250.361 2.770 20 0 CFADRP Cc1cc([C@H]([NH2+]C[C@H](C)C[NH3+])C2CC2)ccc1F ZINC000423302035 238358535 /nfs/dbraw/zinc/35/85/35/238358535.db2.gz GQPZYBZHLQWRLV-MEBBXXQBSA-N 2 0 250.361 2.770 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000423302851 238359595 /nfs/dbraw/zinc/35/95/95/238359595.db2.gz WCQLPZAIXMMHIW-RKDXNWHRSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]CC1C[NH2+]C1 ZINC000423305808 238360613 /nfs/dbraw/zinc/36/06/13/238360613.db2.gz RRAMCDWPFLMQRK-JISDDCRVSA-N 2 0 262.441 2.790 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423304470 238361990 /nfs/dbraw/zinc/36/19/90/238361990.db2.gz YXNXHGLLPAIEMN-SKDRFNHKSA-N 2 0 254.374 2.547 20 0 CFADRP C[C@H]([NH2+]CCc1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000157282287 540946285 /nfs/dbraw/zinc/94/62/85/540946285.db2.gz IUOFMKJUUTTXOV-LBPRGKRZSA-N 2 0 282.378 2.827 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000180234118 189245166 /nfs/dbraw/zinc/24/51/66/189245166.db2.gz TWNQPYATIGJBME-OAHLLOKOSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC[NH3+] ZINC000423327084 238378716 /nfs/dbraw/zinc/37/87/16/238378716.db2.gz MSSJTBSETKROKN-ABAIWWIYSA-N 2 0 250.361 2.778 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423328944 238380558 /nfs/dbraw/zinc/38/05/58/238380558.db2.gz MMEHOGNKSREENT-CVEARBPZSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1csc(Cl)c1 ZINC000423329759 238380855 /nfs/dbraw/zinc/38/08/55/238380855.db2.gz BMECUFHUCWLKBO-VIFPVBQESA-N 2 0 256.802 2.972 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423328023 238381458 /nfs/dbraw/zinc/38/14/58/238381458.db2.gz NQCNDWPKXCTHFQ-ZDUSSCGKSA-N 2 0 272.396 2.570 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423327780 238381738 /nfs/dbraw/zinc/38/17/38/238381738.db2.gz LTXHGDKVLYSDQG-CYBMUJFWSA-N 2 0 292.423 2.744 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000158437474 540972947 /nfs/dbraw/zinc/97/29/47/540972947.db2.gz QEKLBBFXNKWMSY-GDBMZVCRSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CCC[NH2+]C1 ZINC000423331506 238383661 /nfs/dbraw/zinc/38/36/61/238383661.db2.gz ONKQFURWYZVOLV-HZPDHXFCSA-N 2 0 262.372 2.792 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)[C@@H]1CC1(C)C ZINC000666088944 540975541 /nfs/dbraw/zinc/97/55/41/540975541.db2.gz UWKJPADETSDIGJ-ILXRZTDVSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)[C@H]1CC1(C)C ZINC000666088949 540975679 /nfs/dbraw/zinc/97/56/79/540975679.db2.gz UWKJPADETSDIGJ-ZNMIVQPWSA-N 2 0 250.430 2.885 20 0 CFADRP c1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423334077 238385482 /nfs/dbraw/zinc/38/54/82/238385482.db2.gz FNFSLSQWUSARAY-GOSISDBHSA-N 2 0 279.387 2.680 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[NH3+] ZINC000423333779 238386518 /nfs/dbraw/zinc/38/65/18/238386518.db2.gz OMXDKPFSEWNWEK-JTQLQIEISA-N 2 0 256.777 2.738 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC000061125433 540979215 /nfs/dbraw/zinc/97/92/15/540979215.db2.gz UYHUDEFQSIWUDF-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423337422 238388471 /nfs/dbraw/zinc/38/84/71/238388471.db2.gz VOKVIYYPUASLGK-APHBMKBZSA-N 2 0 274.408 2.658 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000423336462 238388484 /nfs/dbraw/zinc/38/84/84/238388484.db2.gz SUCJQNBKRIVATQ-INIZCTEOSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)C1 ZINC000423347027 238394843 /nfs/dbraw/zinc/39/48/43/238394843.db2.gz PXLWTIMKZCGDCH-QAPCUYQASA-N 3 0 291.483 2.539 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)C ZINC000423405568 238442081 /nfs/dbraw/zinc/44/20/81/238442081.db2.gz YCLXURKFZFEIMG-IACUBPJLSA-N 2 0 264.417 2.693 20 0 CFADRP FC(F)C1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423467589 238474853 /nfs/dbraw/zinc/47/48/53/238474853.db2.gz BKNHEYOACOEWGC-OTTFEQOBSA-N 2 0 260.372 2.932 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313042685 541038131 /nfs/dbraw/zinc/03/81/31/541038131.db2.gz YJEWRGPKGVAROW-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000423491608 238494578 /nfs/dbraw/zinc/49/45/78/238494578.db2.gz JYBASUSZFNEQCI-LMSBXDPUSA-N 2 0 288.435 2.871 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000181796706 189306964 /nfs/dbraw/zinc/30/69/64/189306964.db2.gz GSDIXUJEFACIAK-ZMSDIMECSA-N 2 0 290.451 2.946 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000181796729 189307183 /nfs/dbraw/zinc/30/71/83/189307183.db2.gz GSDIXUJEFACIAK-YQQAZPJKSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000181645762 189303471 /nfs/dbraw/zinc/30/34/71/189303471.db2.gz KNJRJMYBDNGLST-HYVNUMGLSA-N 2 0 288.435 2.573 20 0 CFADRP FC(F)(F)c1ccc(CCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000674006175 541062725 /nfs/dbraw/zinc/06/27/25/541062725.db2.gz NNNBNSIUOBGFMN-KBPBESRZSA-N 2 0 298.352 2.789 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671746635 541064735 /nfs/dbraw/zinc/06/47/35/541064735.db2.gz NROMQINLUQTILN-RANZSIQMSA-N 2 0 270.420 2.789 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671741763 541063795 /nfs/dbraw/zinc/06/37/95/541063795.db2.gz WRTZHBVHHMAZMZ-NEPJUHHUSA-N 2 0 289.379 2.526 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000334863367 283669686 /nfs/dbraw/zinc/66/96/86/283669686.db2.gz MVMVRDKGOFILRE-PXCJXSSVSA-N 2 0 259.397 2.506 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000671751312 541078807 /nfs/dbraw/zinc/07/88/07/541078807.db2.gz CKLIYYCWCKPQMC-BBWFWOEESA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H](c1cnccn1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000184704992 189393005 /nfs/dbraw/zinc/39/30/05/189393005.db2.gz QBPZRPFORYVZLA-CQSZACIVSA-N 2 0 276.428 2.591 20 0 CFADRP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000671768238 541136235 /nfs/dbraw/zinc/13/62/35/541136235.db2.gz PDKAECQVBMYYDF-SNVBAGLBSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccccn2)CCC1)C1CC[NH+](C)CC1 ZINC000671769799 541136263 /nfs/dbraw/zinc/13/62/63/541136263.db2.gz SJQUUVAUBNUEET-HNNXBMFYSA-N 2 0 287.451 2.823 20 0 CFADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666792218 541144492 /nfs/dbraw/zinc/14/44/92/541144492.db2.gz WDNMPFMEAMAYES-GFCCVEGCSA-N 2 0 279.453 2.501 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000666857880 541152572 /nfs/dbraw/zinc/15/25/72/541152572.db2.gz OAUNFPJDKVBOHV-RYRKJORJSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857797 541152846 /nfs/dbraw/zinc/15/28/46/541152846.db2.gz JLIWUZBNYVLSKJ-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950818 541165242 /nfs/dbraw/zinc/16/52/42/541165242.db2.gz JUILGBPCORZIPN-CYBMUJFWSA-N 2 0 284.325 2.937 20 0 CFADRP c1ccc(OCC2CC2)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952021 541165840 /nfs/dbraw/zinc/16/58/40/541165840.db2.gz CCXYGNUAMZBASZ-QGZVFWFLSA-N 2 0 286.419 2.707 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666953633 541166291 /nfs/dbraw/zinc/16/62/91/541166291.db2.gz CUDHXEWQXYZIBN-BPQIPLTHSA-N 2 0 299.462 2.554 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CC(C)(C)C1 ZINC000666954267 541166306 /nfs/dbraw/zinc/16/63/06/541166306.db2.gz SUGCPMPWXJIKES-MGPQQGTHSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954325 541166328 /nfs/dbraw/zinc/16/63/28/541166328.db2.gz UQXUKXWSNZOAHA-MCIONIFRSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953564 541166398 /nfs/dbraw/zinc/16/63/98/541166398.db2.gz BCSMWHDWKZKPLH-ZBFHGGJFSA-N 2 0 258.409 2.658 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H](C)c1ccccc1 ZINC000666953752 541166621 /nfs/dbraw/zinc/16/66/21/541166621.db2.gz GWTWESXYCHNTSF-IJEWVQPXSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000666954620 541167250 /nfs/dbraw/zinc/16/72/50/541167250.db2.gz YYOSGWNXCUNOTB-IUODEOHRSA-N 2 0 262.372 2.661 20 0 CFADRP CCc1nn(C)cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000666977315 541169393 /nfs/dbraw/zinc/16/93/93/541169393.db2.gz IYBNQGQTIDUUGL-QGZVFWFLSA-N 2 0 286.423 2.552 20 0 CFADRP c1cc2cc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)ccc2cn1 ZINC000666904065 541158294 /nfs/dbraw/zinc/15/82/94/541158294.db2.gz BEJJEMZGUCFALK-QGZVFWFLSA-N 2 0 269.392 2.857 20 0 CFADRP C[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000667039978 541177693 /nfs/dbraw/zinc/17/76/93/541177693.db2.gz DMNTYBBORIQUAC-HUUCEWRRSA-N 2 0 260.425 2.881 20 0 CFADRP C[C@H](C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C(C)(C)C ZINC000667054139 541178881 /nfs/dbraw/zinc/17/88/81/541178881.db2.gz OFLPSANLGNLHEQ-VNQPRFMTSA-N 2 0 282.472 2.887 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000353931530 283713942 /nfs/dbraw/zinc/71/39/42/283713942.db2.gz QWUCFEQTBUGGFB-HUUCEWRRSA-N 2 0 298.471 2.533 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000135258582 541241374 /nfs/dbraw/zinc/24/13/74/541241374.db2.gz ZQTJLQMVSSHJTG-CJNGLKHVSA-N 2 0 280.387 2.654 20 0 CFADRP COCc1csc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000667706193 541294885 /nfs/dbraw/zinc/29/48/85/541294885.db2.gz TYAJTSNNMMGQCK-ZBFHGGJFSA-N 2 0 294.464 2.811 20 0 CFADRP CCCn1nccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000667671894 541286487 /nfs/dbraw/zinc/28/64/87/541286487.db2.gz DGFWLIIAYCWXJU-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667817091 541321796 /nfs/dbraw/zinc/32/17/96/541321796.db2.gz LSWZAMIAMNZPCW-HYVNUMGLSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667788328 541315101 /nfs/dbraw/zinc/31/51/01/541315101.db2.gz NUNZKFANTSVJNC-HDEZJCGLSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000428295861 239421999 /nfs/dbraw/zinc/42/19/99/239421999.db2.gz UIJWNSNCSFOHJZ-OAHLLOKOSA-N 2 0 290.455 2.900 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667853609 541328385 /nfs/dbraw/zinc/32/83/85/541328385.db2.gz IJVOYMSIUIUQSV-WCVJEAGWSA-N 2 0 250.430 2.885 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667928140 541345026 /nfs/dbraw/zinc/34/50/26/541345026.db2.gz QEHLXIJIZUIZKO-BPUTZDHNSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CC(Oc3ccccc3)C2)CC1 ZINC000667959439 541352859 /nfs/dbraw/zinc/35/28/59/541352859.db2.gz OETHUJPXOHVNFC-UHFFFAOYSA-N 2 0 288.435 2.918 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCC1 ZINC000667987479 541361537 /nfs/dbraw/zinc/36/15/37/541361537.db2.gz IVSYWGLFYAQWDH-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP CCC1(CC)C[N@H+](Cc2cnc(C)n2C)CCS1 ZINC000667994664 541362475 /nfs/dbraw/zinc/36/24/75/541362475.db2.gz KXHQXMOCEJIAEW-UHFFFAOYSA-N 2 0 267.442 2.836 20 0 CFADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[C@H](C)[NH3+] ZINC000192096829 189613829 /nfs/dbraw/zinc/61/38/29/189613829.db2.gz LJZMRFXPKPZEIL-KGLIPLIRSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000432414727 240002013 /nfs/dbraw/zinc/00/20/13/240002013.db2.gz AOLCDQOHLKCZJC-RYKRPPSOSA-N 2 0 294.483 2.780 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000432823770 240053532 /nfs/dbraw/zinc/05/35/32/240053532.db2.gz QXJAHNXEURXPJI-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3ccccc23)CCCO1 ZINC000432849071 240057776 /nfs/dbraw/zinc/05/77/76/240057776.db2.gz ZAFDDOVDGDWBMC-HNNXBMFYSA-N 2 0 299.418 2.570 20 0 CFADRP COc1c(C)cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000435439741 240315670 /nfs/dbraw/zinc/31/56/70/240315670.db2.gz WUSLINCUGHPICB-MRXNPFEDSA-N 2 0 276.424 2.886 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000442923897 241021449 /nfs/dbraw/zinc/02/14/49/241021449.db2.gz RGZVLYMMIBMSLO-ZDUSSCGKSA-N 2 0 285.391 2.501 20 0 CFADRP CCO[C@H](C)c1nc(CN2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443056944 241033842 /nfs/dbraw/zinc/03/38/42/241033842.db2.gz DULWCDRPKYBVIF-CHWSQXEVSA-N 2 0 297.468 2.801 20 0 CFADRP COCC1(C)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444607390 241154079 /nfs/dbraw/zinc/15/40/79/241154079.db2.gz IRGONLCFYQOMIG-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000444615623 241155420 /nfs/dbraw/zinc/15/54/20/241155420.db2.gz ALKSWHWDYCJFSI-IRXDYDNUSA-N 3 0 281.488 2.667 20 0 CFADRP Cc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886218 241335508 /nfs/dbraw/zinc/33/55/08/241335508.db2.gz DYKMXFHMJFAWDS-UHFFFAOYSA-N 2 0 258.409 2.959 20 0 CFADRP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000446934358 241341069 /nfs/dbraw/zinc/34/10/69/241341069.db2.gz ADFVSJSBIKZAQZ-XHSDSOJGSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCCC(C)(C)C1)[C@H]1CCOC1 ZINC000447577745 241388113 /nfs/dbraw/zinc/38/81/13/241388113.db2.gz IOTANSZOVSAAMX-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447590957 241390481 /nfs/dbraw/zinc/39/04/81/241390481.db2.gz BDLBCSBDHNWMIC-LBPRGKRZSA-N 2 0 299.484 2.804 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CCOCC[NH+](C)C)C(C)C)cc1 ZINC000447604101 241391859 /nfs/dbraw/zinc/39/18/59/241391859.db2.gz YPIJOSXICKEVNN-SFHVURJKSA-N 2 0 292.467 2.730 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000447602511 241392774 /nfs/dbraw/zinc/39/27/74/241392774.db2.gz UTIHGPOKHLIFTG-IRXDYDNUSA-N 2 0 294.414 2.630 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000447600238 241392868 /nfs/dbraw/zinc/39/28/68/241392868.db2.gz ZZTWVRCKKFGTCP-AWEZNQCLSA-N 2 0 298.427 2.530 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CCCC[C@H]1C ZINC000449081313 241682712 /nfs/dbraw/zinc/68/27/12/241682712.db2.gz DHMSYOYAMMIXLC-BRWVUGGUSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449271242 241808458 /nfs/dbraw/zinc/80/84/58/241808458.db2.gz SKGLQDGTZMWPIJ-HOTGVXAUSA-N 2 0 290.451 2.707 20 0 CFADRP Cn1cncc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674369773 541563308 /nfs/dbraw/zinc/56/33/08/541563308.db2.gz BQBAKPBTIGGMFB-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP Cc1cccn2c(C[NH2+]Cc3cnccc3C)cnc12 ZINC000449526270 242003967 /nfs/dbraw/zinc/00/39/67/242003967.db2.gz VISNYQPMKVZTNA-UHFFFAOYSA-N 2 0 266.348 2.636 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CS1 ZINC000449561305 242032010 /nfs/dbraw/zinc/03/20/10/242032010.db2.gz ULYLUXPABOSXLV-OEWLLCOZSA-N 2 0 268.470 2.731 20 0 CFADRP Cc1cc(C)c(C[NH2+]Cc2cnc3c(C)cccn23)cn1 ZINC000449734106 242124237 /nfs/dbraw/zinc/12/42/37/242124237.db2.gz MAMSMEWHRPXMRX-UHFFFAOYSA-N 2 0 280.375 2.944 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000449739200 242128824 /nfs/dbraw/zinc/12/88/24/242128824.db2.gz JGBVSSICRNECFX-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@H+](CCCOC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000674909281 541604762 /nfs/dbraw/zinc/60/47/62/541604762.db2.gz NWNYLMBXBKEHPM-OAHLLOKOSA-N 2 0 270.461 2.998 20 0 CFADRP FC1(F)CC(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000450265420 242329905 /nfs/dbraw/zinc/32/99/05/242329905.db2.gz XVZWWHVEGFCGJY-UHFFFAOYSA-N 2 0 272.383 2.840 20 0 CFADRP C1=C(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000450320247 242353949 /nfs/dbraw/zinc/35/39/49/242353949.db2.gz UZYHBJFVSLSPGN-UHFFFAOYSA-N 2 0 292.467 2.921 20 0 CFADRP CCc1cc(NC[C@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000450218852 242312335 /nfs/dbraw/zinc/31/23/35/242312335.db2.gz WNOBEIHSJSDDPZ-CQSZACIVSA-N 2 0 275.421 2.842 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1COc2ccccc21 ZINC000415086421 296113935 /nfs/dbraw/zinc/11/39/35/296113935.db2.gz SEJCASLVLMJSSH-UWLZSVRSSA-N 2 0 274.408 2.658 20 0 CFADRP C[C@@H]([NH2+]C1CCC(O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353673699 296114249 /nfs/dbraw/zinc/11/42/49/296114249.db2.gz RXDSGRDKNILMLF-LXTOLFJKSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@]1(C)CCCO1 ZINC000340355333 296117822 /nfs/dbraw/zinc/11/78/22/296117822.db2.gz XRCZGRCWWQTNTK-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP COCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267968777 541652964 /nfs/dbraw/zinc/65/29/64/541652964.db2.gz BAGLPZJBWTWBNJ-AEFFLSMTSA-N 2 0 290.451 2.865 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675642452 541675260 /nfs/dbraw/zinc/67/52/60/541675260.db2.gz NJHWBWYGOPKQSK-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1COc2ccccc21 ZINC000358246082 299387218 /nfs/dbraw/zinc/38/72/18/299387218.db2.gz DCDLIDALDJUNGD-QSJFSLAZSA-N 2 0 286.419 2.768 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000423362073 299388410 /nfs/dbraw/zinc/38/84/10/299388410.db2.gz ATUSMCDQKSBICA-COPLHBTASA-N 2 0 284.350 2.937 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423186916 296122562 /nfs/dbraw/zinc/12/25/62/296122562.db2.gz KOHHRETZRAFFMP-KPPDAEKUSA-N 2 0 252.324 2.682 20 0 CFADRP CC(C)(C)[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675877077 541701647 /nfs/dbraw/zinc/70/16/47/541701647.db2.gz BTUXCXXYVLDYKB-QGZVFWFLSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000453103768 243404898 /nfs/dbraw/zinc/40/48/98/243404898.db2.gz DBIOGJAOKDIJJX-OAHLLOKOSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195114704 299390811 /nfs/dbraw/zinc/39/08/11/299390811.db2.gz AITJNXXWGRZPKO-JYYAWHABSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000423318953 296127511 /nfs/dbraw/zinc/12/75/11/296127511.db2.gz LFUCBCVZNLUGBB-AFSRYXPQSA-N 2 0 262.441 2.918 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000675925308 541709871 /nfs/dbraw/zinc/70/98/71/541709871.db2.gz LNIXOUMESNPZAV-XJKSGUPXSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675926596 541709911 /nfs/dbraw/zinc/70/99/11/541709911.db2.gz SLPOLPMOKQZLID-MAUKXSAKSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1CC[NH+](C)CC1 ZINC000675929142 541710904 /nfs/dbraw/zinc/71/09/04/541710904.db2.gz ZJZJQKDYADJGNO-ZIAGYGMSSA-N 2 0 261.413 2.505 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@H]1CCC[NH2+]C1 ZINC000423204424 296151090 /nfs/dbraw/zinc/15/10/90/296151090.db2.gz AQOKVDMSKGCJCR-GUTXKFCHSA-N 2 0 274.408 2.756 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C(C)(C)c1ccccc1 ZINC000423382019 296156641 /nfs/dbraw/zinc/15/66/41/296156641.db2.gz DEKMIMBCLWFBBD-IIAWOOMASA-N 2 0 260.425 2.940 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C1CCN(C2CC2)CC1)C(C)(C)C ZINC000459409302 245169099 /nfs/dbraw/zinc/16/90/99/245169099.db2.gz GVHIRWJPHKZPFO-INIZCTEOSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H]1[C@@H]([NH2+]CCc2cccc(Cl)c2)CCCN1C ZINC000459473212 245190096 /nfs/dbraw/zinc/19/00/96/245190096.db2.gz DOSBTJNWWJGEBM-WFASDCNBSA-N 2 0 266.816 2.955 20 0 CFADRP CC1(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459500765 245201720 /nfs/dbraw/zinc/20/17/20/245201720.db2.gz HFRNXPUSDOMBFZ-UHFFFAOYSA-N 2 0 259.397 2.830 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000677129344 541824644 /nfs/dbraw/zinc/82/46/44/541824644.db2.gz KLGFHOMDXMZMQP-ZBEGNZNMSA-N 2 0 280.362 2.884 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000459573778 245222529 /nfs/dbraw/zinc/22/25/29/245222529.db2.gz SGNBLHSPRLTOLT-KRWDZBQOSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658547 245263228 /nfs/dbraw/zinc/26/32/28/245263228.db2.gz KWIGDCBNXYTOLF-BBRMVZONSA-N 2 0 273.380 2.629 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000459726284 245288728 /nfs/dbraw/zinc/28/87/28/245288728.db2.gz BNHKXOIRBNADJC-AWEZNQCLSA-N 2 0 290.455 2.596 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000459730542 245292357 /nfs/dbraw/zinc/29/23/57/245292357.db2.gz KOSCZOYMWOQELO-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459709939 245282288 /nfs/dbraw/zinc/28/22/88/245282288.db2.gz UGCFZVSNCJSZQR-MRXNPFEDSA-N 2 0 288.435 2.626 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459780974 245322862 /nfs/dbraw/zinc/32/28/62/245322862.db2.gz MDUOYGLCHBLUEQ-ZIAGYGMSSA-N 2 0 250.386 2.532 20 0 CFADRP Cc1sccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459788776 245327116 /nfs/dbraw/zinc/32/71/16/245327116.db2.gz QCHZXUNRNYOJCW-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1C ZINC000459792496 245329229 /nfs/dbraw/zinc/32/92/29/245329229.db2.gz SDWIARFYEPGYAL-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000234687920 189823420 /nfs/dbraw/zinc/82/34/20/189823420.db2.gz RAFSUYOJSMYEMT-CABCVRRESA-N 2 0 270.461 2.950 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(O)cc1 ZINC000019912839 372208777 /nfs/dbraw/zinc/20/87/77/372208777.db2.gz NSWCXZJHBSCOFG-AWEZNQCLSA-N 2 0 262.397 2.746 20 0 CFADRP C[N@H+](CCCOc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000036300857 372569690 /nfs/dbraw/zinc/56/96/90/372569690.db2.gz OQIMPMLTGWIONC-UHFFFAOYSA-N 2 0 282.815 2.793 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000036907637 372610084 /nfs/dbraw/zinc/61/00/84/372610084.db2.gz JHFPQUQGAGURGX-JFIYKMOQSA-N 2 0 289.467 2.831 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000037019506 372636080 /nfs/dbraw/zinc/63/60/80/372636080.db2.gz IXKQHAIHYWMDOH-UHFFFAOYSA-N 2 0 277.412 2.596 20 0 CFADRP CC[NH+]1CCC(Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000037141182 372654131 /nfs/dbraw/zinc/65/41/31/372654131.db2.gz UDSLFYXFICXRBC-UHFFFAOYSA-N 2 0 261.413 2.644 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000037644327 372681410 /nfs/dbraw/zinc/68/14/10/372681410.db2.gz TWTDWSAAQIKFFM-GOEBONIOSA-N 2 0 276.424 2.558 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000037644328 372682613 /nfs/dbraw/zinc/68/26/13/372682613.db2.gz TWTDWSAAQIKFFM-HOCLYGCPSA-N 2 0 276.424 2.558 20 0 CFADRP CCC[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000037653869 372687203 /nfs/dbraw/zinc/68/72/03/372687203.db2.gz AWUDHZDMGJTKTR-UHFFFAOYSA-N 2 0 250.361 2.790 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)c(Br)c1 ZINC000037713821 372690149 /nfs/dbraw/zinc/69/01/49/372690149.db2.gz QPVXJQJWGRTEEY-MRVPVSSYSA-N 2 0 275.165 2.588 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037864209 372729850 /nfs/dbraw/zinc/72/98/50/372729850.db2.gz COEGNKDRMUFRGW-AWEZNQCLSA-N 2 0 281.403 2.809 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000037771405 372703739 /nfs/dbraw/zinc/70/37/39/372703739.db2.gz OJPAONUDHJOTED-OHRKKDJYSA-N 2 0 274.408 2.971 20 0 CFADRP COCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000038010478 372763584 /nfs/dbraw/zinc/76/35/84/372763584.db2.gz IWMSSANMLRUDMT-ALOPSCKCSA-N 2 0 274.408 2.548 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccs1)N1CC[NH+](C)CC1 ZINC000040770088 372786512 /nfs/dbraw/zinc/78/65/12/372786512.db2.gz HCJGMZXWBMRAOA-HUUCEWRRSA-N 2 0 295.496 2.671 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474732410 245571850 /nfs/dbraw/zinc/57/18/50/245571850.db2.gz MUOYKPCIXVQXQX-KZNAEPCWSA-N 2 0 295.515 2.674 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000333273748 205173205 /nfs/dbraw/zinc/17/32/05/205173205.db2.gz KZPVZZOKHOCFID-HUUCEWRRSA-N 2 0 273.424 2.887 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCCCCC2)cc1 ZINC000041665338 372856692 /nfs/dbraw/zinc/85/66/92/372856692.db2.gz WTJXJOVTTGYQBE-HNNXBMFYSA-N 2 0 262.397 2.614 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000042167686 372881003 /nfs/dbraw/zinc/88/10/03/372881003.db2.gz UYLSOOAZXAFTJS-HNNXBMFYSA-N 2 0 289.423 2.609 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ccsc2)CC1 ZINC000042598645 372936868 /nfs/dbraw/zinc/93/68/68/372936868.db2.gz VVZJEFLEDQNJMJ-UHFFFAOYSA-N 2 0 252.427 2.755 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534378 373003739 /nfs/dbraw/zinc/00/37/39/373003739.db2.gz QCUNOGBXDMPGBH-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534375 373005491 /nfs/dbraw/zinc/00/54/91/373005491.db2.gz QCUNOGBXDMPGBH-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045664115 373027204 /nfs/dbraw/zinc/02/72/04/373027204.db2.gz YNKXBSVZIFIMLB-CQSZACIVSA-N 2 0 264.413 2.996 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccccc1OC(F)F ZINC000045598353 373023395 /nfs/dbraw/zinc/02/33/95/373023395.db2.gz VUWMUASLLYQVTL-UHFFFAOYSA-N 2 0 272.339 2.719 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000049557786 373310331 /nfs/dbraw/zinc/31/03/31/373310331.db2.gz YWLHPBNFNXOGAK-CYBMUJFWSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@@H](CC[NH2+]C[C@@H]1CCSC1)[NH+]1CCCCC1 ZINC000487535540 245763616 /nfs/dbraw/zinc/76/36/16/245763616.db2.gz HXQMOCYFCCGDEL-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000051756206 373407736 /nfs/dbraw/zinc/40/77/36/373407736.db2.gz VTMYDMLLDOUIFN-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000053157869 373465696 /nfs/dbraw/zinc/46/56/96/373465696.db2.gz IKVQEIYFUXUFFU-RNCFNFMXSA-N 2 0 256.752 2.648 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243579 373509099 /nfs/dbraw/zinc/50/90/99/373509099.db2.gz WOMAWNHCWFPMFP-GXTWGEPZSA-N 2 0 252.427 2.611 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243577 373509237 /nfs/dbraw/zinc/50/92/37/373509237.db2.gz WOMAWNHCWFPMFP-JSGCOSHPSA-N 2 0 252.427 2.611 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243024 373509706 /nfs/dbraw/zinc/50/97/06/373509706.db2.gz VFEPSXMOZIXQJC-HZPDHXFCSA-N 2 0 260.425 2.857 20 0 CFADRP [NH3+]CCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000057626497 373604417 /nfs/dbraw/zinc/60/44/17/373604417.db2.gz QYZCQWDDYUCDHF-UHFFFAOYSA-N 2 0 297.240 2.977 20 0 CFADRP Cc1c[nH+]ccc1NCC[N@@H+](C)Cc1ccccc1 ZINC000192523383 220226262 /nfs/dbraw/zinc/22/62/62/220226262.db2.gz RCRSJNJPJLFIMS-UHFFFAOYSA-N 2 0 255.365 2.934 20 0 CFADRP Nc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000062036357 373742791 /nfs/dbraw/zinc/74/27/91/373742791.db2.gz SZSAOBJEHKFHGO-UHFFFAOYSA-N 2 0 273.424 2.577 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(O)c1)C[NH+]1CCCC1 ZINC000062077501 373747438 /nfs/dbraw/zinc/74/74/38/373747438.db2.gz WWVGFAFGRLEWLJ-KGLIPLIRSA-N 2 0 262.397 2.775 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000063166280 373788416 /nfs/dbraw/zinc/78/84/16/373788416.db2.gz UXDXMGVHQTYYKQ-UHFFFAOYSA-N 2 0 275.421 2.728 20 0 CFADRP CCCOc1cccc(C[NH+]2CCC(C[NH2+]C)CC2)c1 ZINC000063159126 373788888 /nfs/dbraw/zinc/78/88/88/373788888.db2.gz GMMTZAIRXYSXKW-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000063158913 373789031 /nfs/dbraw/zinc/78/90/31/373789031.db2.gz GSDTVOYLNMKWNW-UHFFFAOYSA-N 2 0 284.350 2.719 20 0 CFADRP c1ccc(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197783 373794733 /nfs/dbraw/zinc/79/47/33/373794733.db2.gz PPRATYSJUADSRE-KRWDZBQOSA-N 2 0 258.409 2.693 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1F ZINC000070169657 374134703 /nfs/dbraw/zinc/13/47/03/374134703.db2.gz QLCWTULNUNHCIE-ZDUSSCGKSA-N 2 0 250.361 2.695 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000070169350 374135004 /nfs/dbraw/zinc/13/50/04/374135004.db2.gz CFPINTZQHSSMMU-GFCCVEGCSA-N 2 0 252.789 2.901 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171650 374138039 /nfs/dbraw/zinc/13/80/39/374138039.db2.gz JAJHPJAKHBSHFU-OCCSQVGLSA-N 2 0 264.438 2.968 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070171169 374138076 /nfs/dbraw/zinc/13/80/76/374138076.db2.gz LWWBOYIQJVAJFE-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000070189098 374144090 /nfs/dbraw/zinc/14/40/90/374144090.db2.gz IENXJVCNCZCCJR-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP FC(F)[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677734597 541899597 /nfs/dbraw/zinc/89/95/97/541899597.db2.gz XTEXPFWWFOILPJ-ZRGSSGQVSA-N 2 0 294.336 2.717 20 0 CFADRP Brc1csc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000070600602 374198632 /nfs/dbraw/zinc/19/86/32/374198632.db2.gz LNGASJGHOFUZCC-VIFPVBQESA-N 2 0 289.242 2.600 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000678073362 541946442 /nfs/dbraw/zinc/94/64/42/541946442.db2.gz RYFXCERULRUGOU-FGTMMUONSA-N 2 0 299.462 2.539 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000251793752 189972124 /nfs/dbraw/zinc/97/21/24/189972124.db2.gz WMKQWXPBBJXWES-YNEHKIRRSA-N 2 0 252.427 2.799 20 0 CFADRP CC[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000083479967 374748104 /nfs/dbraw/zinc/74/81/04/374748104.db2.gz WWEJAGVZYNAXSS-AWEZNQCLSA-N 2 0 264.413 2.905 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000086333564 374804242 /nfs/dbraw/zinc/80/42/42/374804242.db2.gz NYFNJMFUQCLJOK-VIFPVBQESA-N 2 0 258.818 2.961 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000084475276 374778198 /nfs/dbraw/zinc/77/81/98/374778198.db2.gz PNLCLXLLJWXBLL-KRWDZBQOSA-N 2 0 274.408 2.531 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000084475281 374778420 /nfs/dbraw/zinc/77/84/20/374778420.db2.gz GDYFZAFFWMTTFX-CQSZACIVSA-N 2 0 284.325 2.891 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089140541 374873547 /nfs/dbraw/zinc/87/35/47/374873547.db2.gz CNNRTJGDVIBGEC-XGWLTEMNSA-N 2 0 289.423 2.813 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089147658 374874687 /nfs/dbraw/zinc/87/46/87/374874687.db2.gz XATZLTBNQNEHGO-GXTWGEPZSA-N 2 0 252.789 2.600 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147877 374875021 /nfs/dbraw/zinc/87/50/21/374875021.db2.gz FKRNUJHAKKCIQN-MSOLQXFVSA-N 3 0 289.467 2.745 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000089146074 374875234 /nfs/dbraw/zinc/87/52/34/374875234.db2.gz DRZMVCYDOMCGLE-HOCLYGCPSA-N 2 0 262.397 2.563 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000089549887 374922249 /nfs/dbraw/zinc/92/22/49/374922249.db2.gz XIHYFIHXNJGCME-VKJFTORMSA-N 2 0 290.451 2.946 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC000089735988 374945104 /nfs/dbraw/zinc/94/51/04/374945104.db2.gz IFHWCFPHMZCXPR-WBVHZDCISA-N 2 0 260.425 2.857 20 0 CFADRP CC(C)n1cncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000090209483 375004514 /nfs/dbraw/zinc/00/45/14/375004514.db2.gz JHVJANUJKPGERS-GOOCMWNKSA-N 2 0 276.428 2.569 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000090525538 375019641 /nfs/dbraw/zinc/01/96/41/375019641.db2.gz BXSGPGXNSDCQHY-ZACQAIPSSA-N 2 0 282.472 2.779 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cnn(C)c1 ZINC000090586564 375022009 /nfs/dbraw/zinc/02/20/09/375022009.db2.gz RJGBWWKXRCFKMK-DOTOQJQBSA-N 2 0 292.471 2.829 20 0 CFADRP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000093088816 375184730 /nfs/dbraw/zinc/18/47/30/375184730.db2.gz RVFVMLJIKZIKFB-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000092565109 375125272 /nfs/dbraw/zinc/12/52/72/375125272.db2.gz JJDYNBPAUYXCQB-SJLPKXTDSA-N 2 0 295.515 2.676 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000092587399 375127042 /nfs/dbraw/zinc/12/70/42/375127042.db2.gz FTGULAWZHMRBPW-GASCZTMLSA-N 2 0 292.423 2.601 20 0 CFADRP Oc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093491000 375254602 /nfs/dbraw/zinc/25/46/02/375254602.db2.gz DDMXUFJSFVQHLY-OKZBNKHCSA-N 2 0 288.435 2.835 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000093693160 375300446 /nfs/dbraw/zinc/30/04/46/375300446.db2.gz XPHIXEVXQVILRK-CQSZACIVSA-N 2 0 286.423 2.727 20 0 CFADRP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000093944716 375332275 /nfs/dbraw/zinc/33/22/75/375332275.db2.gz CDNRMLKWEJRQGI-BZSNNMDCSA-N 2 0 295.515 2.818 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000094088784 375341912 /nfs/dbraw/zinc/34/19/12/375341912.db2.gz HWVSLUQWPXBYCD-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP CC[C@@H](C[N@H+](CCO)C1CCN(C)CC1)c1ccccc1 ZINC000505302500 247134107 /nfs/dbraw/zinc/13/41/07/247134107.db2.gz VYNMFLBZESQNNE-INIZCTEOSA-N 2 0 290.451 2.569 20 0 CFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cc[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000513544782 247223476 /nfs/dbraw/zinc/22/34/76/247223476.db2.gz MIGZDKBAOVGSOV-DOTOQJQBSA-N 2 0 298.434 2.800 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000513666303 247224914 /nfs/dbraw/zinc/22/49/14/247224914.db2.gz KYAKOZURAPKNFP-KZNAEPCWSA-N 2 0 288.435 2.836 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000678611753 542054305 /nfs/dbraw/zinc/05/43/05/542054305.db2.gz KIWYFQPZMZXNOM-KGLIPLIRSA-N 2 0 264.438 2.897 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@H](C)C1 ZINC000678598810 542049090 /nfs/dbraw/zinc/04/90/90/542049090.db2.gz TYXFMGSZFNHMLL-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000678600389 542050498 /nfs/dbraw/zinc/05/04/98/542050498.db2.gz LAOLINJTHVKXCC-CQSZACIVSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000678606136 542052455 /nfs/dbraw/zinc/05/24/55/542052455.db2.gz HBIPJPOSHNHXCS-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000104322898 375778505 /nfs/dbraw/zinc/77/85/05/375778505.db2.gz CHEYDROKUYLXBR-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000111695891 375863342 /nfs/dbraw/zinc/86/33/42/375863342.db2.gz FETLEJNHGJWCJG-GJZGRUSLSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000111612317 375857721 /nfs/dbraw/zinc/85/77/21/375857721.db2.gz VUPWRBKXVMCYRU-JTQLQIEISA-N 2 0 254.324 2.524 20 0 CFADRP Cc1cc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)ccn1 ZINC000112298647 375899256 /nfs/dbraw/zinc/89/92/56/375899256.db2.gz RYVRFTBCMPJLKU-OAHLLOKOSA-N 2 0 275.396 2.839 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)Oc2ccccc2)CC1 ZINC000678773193 542067990 /nfs/dbraw/zinc/06/79/90/542067990.db2.gz LSNRDZCMPWDKFZ-HNNXBMFYSA-N 2 0 276.424 2.918 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000113512556 376020678 /nfs/dbraw/zinc/02/06/78/376020678.db2.gz LLZPPOFGIYPCPK-INIZCTEOSA-N 2 0 260.425 2.995 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000113515766 376020983 /nfs/dbraw/zinc/02/09/83/376020983.db2.gz MVTNXGFOCCLHNO-KRWDZBQOSA-N 2 0 290.451 2.956 20 0 CFADRP CCc1nn(C)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000678817666 542076236 /nfs/dbraw/zinc/07/62/36/542076236.db2.gz JBFWYTNUWGKIMU-UHFFFAOYSA-N 2 0 292.471 2.535 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000645494376 383712666 /nfs/dbraw/zinc/71/26/66/383712666.db2.gz SSUQXUIXXHUDIW-MRXNPFEDSA-N 3 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)CC[N@@H+]1C ZINC000119439478 376414909 /nfs/dbraw/zinc/41/49/09/376414909.db2.gz ILKWLQDHWFNDMB-OCCSQVGLSA-N 2 0 266.816 2.955 20 0 CFADRP CSCCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000119979177 376519335 /nfs/dbraw/zinc/51/93/35/376519335.db2.gz ABWCTHBHZGJLOJ-STQMWFEESA-N 2 0 253.415 2.519 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000264312920 190103351 /nfs/dbraw/zinc/10/33/51/190103351.db2.gz VJGVWGNYDJERLP-MRXNPFEDSA-N 2 0 289.423 2.561 20 0 CFADRP Cn1ccnc1CN1CC[NH+](CCCC2CCCC2)CC1 ZINC000120628221 376657132 /nfs/dbraw/zinc/65/71/32/376657132.db2.gz NGCMTJHQKYDDRW-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000120931163 376723991 /nfs/dbraw/zinc/72/39/91/376723991.db2.gz HOOIRPCDUXLHEZ-ZNMIVQPWSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120992067 376738802 /nfs/dbraw/zinc/73/88/02/376738802.db2.gz YEXDXJJAQCJWLC-NVXWUHKLSA-N 2 0 289.467 2.529 20 0 CFADRP Cc1nccn1CCCC[NH+]1Cc2ccccc2C1 ZINC000121042719 376753180 /nfs/dbraw/zinc/75/31/80/376753180.db2.gz BKMIVNNVDVALDE-UHFFFAOYSA-N 2 0 255.365 2.988 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000121068725 376754620 /nfs/dbraw/zinc/75/46/20/376754620.db2.gz VPRSRAOSKDJCNS-SJORKVTESA-N 2 0 289.467 2.529 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)CCOc2cccc(F)c2)CCN1C ZINC000123751526 376973598 /nfs/dbraw/zinc/97/35/98/376973598.db2.gz MNUHCCIQBDVADO-DZGCQCFKSA-N 2 0 280.387 2.619 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000121814574 376911023 /nfs/dbraw/zinc/91/10/23/376911023.db2.gz GSFSKVKESRRTLB-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CCC[NH+]1CCC(N(C)Cc2nc3ccccc3[nH]2)CC1 ZINC000123833888 376985786 /nfs/dbraw/zinc/98/57/86/376985786.db2.gz MWWMTEAAUMDZAY-UHFFFAOYSA-N 2 0 286.423 2.869 20 0 CFADRP CC[C@@H](C)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000124686833 377077070 /nfs/dbraw/zinc/07/70/70/377077070.db2.gz AUONSGMYGHCOFJ-MRXNPFEDSA-N 2 0 275.440 2.587 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000126391050 377226683 /nfs/dbraw/zinc/22/66/83/377226683.db2.gz VSBQVUZQFODWHL-SJORKVTESA-N 2 0 284.407 2.624 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)s1 ZINC000127029241 377260165 /nfs/dbraw/zinc/26/01/65/377260165.db2.gz PRAHRYYGQRVSPX-LLVKDONJSA-N 2 0 299.403 2.883 20 0 CFADRP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000127316587 377275672 /nfs/dbraw/zinc/27/56/72/377275672.db2.gz NKGWCISIWGXLOQ-IRXDYDNUSA-N 2 0 289.467 2.590 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000127684574 377297941 /nfs/dbraw/zinc/29/79/41/377297941.db2.gz MQOXFKVKPGLHFG-NVXWUHKLSA-N 2 0 298.434 2.753 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128499813 377342313 /nfs/dbraw/zinc/34/23/13/377342313.db2.gz DIRSXWZOCYFINA-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000129515525 377439256 /nfs/dbraw/zinc/43/92/56/377439256.db2.gz YMLNJQOMGHMMBH-ZFWWWQNUSA-N 2 0 271.408 2.783 20 0 CFADRP COc1ccccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129689054 377460738 /nfs/dbraw/zinc/46/07/38/377460738.db2.gz HPCNGIGMPSJTHL-HZSPNIEDSA-N 2 0 262.397 2.829 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000129878717 377483031 /nfs/dbraw/zinc/48/30/31/377483031.db2.gz CPBZSGZMBHVYKB-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP COc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1O ZINC000129942604 377492766 /nfs/dbraw/zinc/49/27/66/377492766.db2.gz RRONQBOOTQYLDJ-OAHLLOKOSA-N 2 0 292.423 2.707 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000350265991 284639175 /nfs/dbraw/zinc/63/91/75/284639175.db2.gz LXHKIVZWZVMNAF-HZPDHXFCSA-N 2 0 270.461 2.761 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1F ZINC000679360538 542180090 /nfs/dbraw/zinc/18/00/90/542180090.db2.gz VDNKRLDMBNEWRB-YOEHRIQHSA-N 2 0 294.414 2.807 20 0 CFADRP COCC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000679368368 542181709 /nfs/dbraw/zinc/18/17/09/542181709.db2.gz JAJICNMXUBVOLJ-GDBMZVCRSA-N 2 0 294.439 2.986 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(F)cc2)CC1 ZINC000679467587 542193324 /nfs/dbraw/zinc/19/33/24/542193324.db2.gz BOUWPOUWUXAIRP-UHFFFAOYSA-N 2 0 280.387 2.669 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(O)c1 ZINC000130642961 377587353 /nfs/dbraw/zinc/58/73/53/377587353.db2.gz IXEVLXAXQSODBJ-MBNYWOFBSA-N 2 0 260.381 2.668 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000131509772 377719847 /nfs/dbraw/zinc/71/98/47/377719847.db2.gz SIFIMKTZNUUACH-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000131530725 377724527 /nfs/dbraw/zinc/72/45/27/377724527.db2.gz FPBWZQGQZHKVPB-UHFFFAOYSA-N 2 0 298.377 2.954 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCF)C1 ZINC000131671010 377745028 /nfs/dbraw/zinc/74/50/28/377745028.db2.gz OELPQHIMNGOQRY-HUUCEWRRSA-N 2 0 256.409 2.932 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679722972 542231198 /nfs/dbraw/zinc/23/11/98/542231198.db2.gz ITXVDEKHZUDIDV-OWCLPIDISA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)CC(C)C ZINC000132921028 377888643 /nfs/dbraw/zinc/88/86/43/377888643.db2.gz YLEOOSCAQQFHSW-ULQDDVLXSA-N 2 0 283.504 2.673 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000134411902 378011645 /nfs/dbraw/zinc/01/16/45/378011645.db2.gz RWFUNYOFMWSCLR-BBRMVZONSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000134411371 378012110 /nfs/dbraw/zinc/01/21/10/378012110.db2.gz ULGUIWMSCYNCAD-RISCZKNCSA-N 2 0 297.240 2.879 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC(F)(F)C1 ZINC000529540547 383726836 /nfs/dbraw/zinc/72/68/36/383726836.db2.gz FGJIYHDTXJPHJU-CYZMBNFOSA-N 2 0 260.372 2.883 20 0 CFADRP C[N@H+](CCCF)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000151170194 378304016 /nfs/dbraw/zinc/30/40/16/378304016.db2.gz QKNXEEGLENRWID-MRXNPFEDSA-N 2 0 264.388 2.800 20 0 CFADRP CN1CCC[C@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000151431153 378326520 /nfs/dbraw/zinc/32/65/20/378326520.db2.gz ZQBLKEHZALDJRU-ZDUSSCGKSA-N 2 0 273.355 2.558 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000151487645 378330640 /nfs/dbraw/zinc/33/06/40/378330640.db2.gz UOGRJIPGCCVEFQ-WFASDCNBSA-N 2 0 266.816 2.812 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000152952754 378462743 /nfs/dbraw/zinc/46/27/43/378462743.db2.gz WIVMOUBZIZKYMW-RDJZCZTQSA-N 2 0 276.424 2.694 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000153254931 378482465 /nfs/dbraw/zinc/48/24/65/378482465.db2.gz YJILXEIZFPOMLY-PMPSAXMXSA-N 2 0 270.461 2.759 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000266118901 190231804 /nfs/dbraw/zinc/23/18/04/190231804.db2.gz OSOHKPGFHQTLGZ-RHSMWYFYSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1F ZINC000154335163 378558757 /nfs/dbraw/zinc/55/87/57/378558757.db2.gz ZIUNCPORFQGESS-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000154360177 378559974 /nfs/dbraw/zinc/55/99/74/378559974.db2.gz DVPBAJNPFFSDQC-GOSISDBHSA-N 2 0 289.467 2.755 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CSc3ccccc32)CC[N@@H+]1C ZINC000158175297 378664194 /nfs/dbraw/zinc/66/41/94/378664194.db2.gz DDXMSSHWHQVESU-MGPQQGTHSA-N 2 0 276.449 2.948 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000158692640 378671527 /nfs/dbraw/zinc/67/15/27/378671527.db2.gz AEMLOWCPJZAORI-XHSDSOJGSA-N 2 0 282.472 2.759 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159044272 378681627 /nfs/dbraw/zinc/68/16/27/378681627.db2.gz MCUHYWOXFIVFOE-LSDHHAIUSA-N 2 0 286.419 2.627 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccccn2)CC1 ZINC000159228667 378696671 /nfs/dbraw/zinc/69/66/71/378696671.db2.gz BINYTSKPAZAVCP-CQSZACIVSA-N 2 0 261.413 2.854 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccncc2Cl)C1 ZINC000529568521 383731984 /nfs/dbraw/zinc/73/19/84/383731984.db2.gz AKMVPXNEBNPAIN-UKRRQHHQSA-N 2 0 279.815 2.651 20 0 CFADRP COC(C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)OC ZINC000161587059 378858270 /nfs/dbraw/zinc/85/82/70/378858270.db2.gz RPUNYNHHRLUOBP-HNNXBMFYSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000162918442 378943676 /nfs/dbraw/zinc/94/36/76/378943676.db2.gz LHJTYHQSPIPOJQ-OAHLLOKOSA-N 2 0 298.434 2.867 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000163100449 378953622 /nfs/dbraw/zinc/95/36/22/378953622.db2.gz NUHIRPLWRGWACP-INIZCTEOSA-N 2 0 288.435 2.970 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163214983 378958635 /nfs/dbraw/zinc/95/86/35/378958635.db2.gz HSEAJGFUFYXWOF-OSAQELSMSA-N 2 0 250.361 2.946 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000163287241 378964399 /nfs/dbraw/zinc/96/43/99/378964399.db2.gz XAZABFOKGVXVJP-QWHCGFSZSA-N 2 0 279.453 2.760 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163416730 378971157 /nfs/dbraw/zinc/97/11/57/378971157.db2.gz HBRKALGIEKSUAP-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCNc2ccccn2)C(C)(C)O1 ZINC000163852387 378993568 /nfs/dbraw/zinc/99/35/68/378993568.db2.gz PWGVMOBJVRDMPO-CYBMUJFWSA-N 2 0 277.412 2.819 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccn1)c1cncc(F)c1 ZINC000163843715 378993302 /nfs/dbraw/zinc/99/33/02/378993302.db2.gz LUZAESSBPFLFPG-LBPRGKRZSA-N 2 0 274.343 2.769 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(F)c1)CC[NH2+]CC2 ZINC000335275668 379009017 /nfs/dbraw/zinc/00/90/17/379009017.db2.gz CQGAJRKYTZMVRA-ZDUSSCGKSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C3CCOCC3)CC2)CC[NH2+]1 ZINC000335278779 379015372 /nfs/dbraw/zinc/01/53/72/379015372.db2.gz PDDQXGOQGDFHQS-CABCVRRESA-N 2 0 280.456 2.513 20 0 CFADRP Cc1ccc2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cn2c1 ZINC000335276747 379012260 /nfs/dbraw/zinc/01/22/60/379012260.db2.gz FMIOUXRJXHQLOK-OAHLLOKOSA-N 2 0 298.434 2.607 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165338983 379037482 /nfs/dbraw/zinc/03/74/82/379037482.db2.gz YPIOEMRUILGWGE-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP COCC[NH+]1CCC(Nc2ccnc3ccsc32)CC1 ZINC000266340864 190250375 /nfs/dbraw/zinc/25/03/75/190250375.db2.gz IFWPPIDTNQZQJL-UHFFFAOYSA-N 2 0 291.420 2.819 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc2cccnc21 ZINC000335287366 379029602 /nfs/dbraw/zinc/02/96/02/379029602.db2.gz DLSBRBASGIELEB-OAHLLOKOSA-N 2 0 287.382 2.852 20 0 CFADRP Cc1cccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cn21 ZINC000335309004 379056684 /nfs/dbraw/zinc/05/66/84/379056684.db2.gz SSJPULIHEIYHDT-QGZVFWFLSA-N 2 0 298.434 2.607 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000165931656 379043751 /nfs/dbraw/zinc/04/37/51/379043751.db2.gz UHKDGMJXLPQNNQ-WBVHZDCISA-N 2 0 294.414 2.759 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(CC)o1 ZINC000166066254 379050274 /nfs/dbraw/zinc/05/02/74/379050274.db2.gz KTZSQORHBLLJSQ-UKRRQHHQSA-N 2 0 282.428 2.849 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CN(C)C[C@@H]3C)ccc2[nH]1 ZINC000335308240 379053973 /nfs/dbraw/zinc/05/39/73/379053973.db2.gz LTMYLVZAFHFHBT-ZBEGNZNMSA-N 2 0 257.381 2.516 20 0 CFADRP [NH3+][C@H](CNCc1cnc(C2CC2)s1)c1ccccc1 ZINC000571862129 383733551 /nfs/dbraw/zinc/73/35/51/383733551.db2.gz GJVMUDFDAJXBMK-CQSZACIVSA-N 2 0 273.405 2.810 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc2cccnc12 ZINC000335333830 379109876 /nfs/dbraw/zinc/10/98/76/379109876.db2.gz HTRWYCCMTIFRIB-BBRMVZONSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000169781446 379110662 /nfs/dbraw/zinc/11/06/62/379110662.db2.gz ITCQVYSQONNVQC-HNNXBMFYSA-N 2 0 262.397 2.752 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000278846327 194181106 /nfs/dbraw/zinc/18/11/06/194181106.db2.gz VHBNSHIIXIVBGR-ZFWWWQNUSA-N 2 0 282.428 2.904 20 0 CFADRP c1ccc2c(c1)C=C(C[NH2+]CCC[NH+]1CCCC1)CO2 ZINC000171049261 379218808 /nfs/dbraw/zinc/21/88/08/379218808.db2.gz WZIJAGNLYLHDHK-UHFFFAOYSA-N 2 0 272.392 2.538 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334420833 379269342 /nfs/dbraw/zinc/26/93/42/379269342.db2.gz QLYNYKKQNUTDKD-CYBMUJFWSA-N 2 0 262.372 2.962 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C/C=C/c2ccncc2)C1 ZINC000334428517 379280348 /nfs/dbraw/zinc/28/03/48/379280348.db2.gz SNOJNERNLUQHOL-HTYNWGMWSA-N 2 0 271.408 2.511 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000334452251 379324082 /nfs/dbraw/zinc/32/40/82/379324082.db2.gz XZRKSFHVMQFIJG-WBMJQRKESA-N 2 0 287.382 2.946 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000335522500 379448081 /nfs/dbraw/zinc/44/80/81/379448081.db2.gz VUKBPGZCHSAZGU-LRDDRELGSA-N 2 0 262.372 2.792 20 0 CFADRP Cc1cccc2nc(C[NH+]3CCC(c4ncc[nH]4)CC3)cn21 ZINC000266738913 190277853 /nfs/dbraw/zinc/27/78/53/190277853.db2.gz LPDOQIWSHZFRMG-UHFFFAOYSA-N 2 0 295.390 2.745 20 0 CFADRP COc1ccsc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335543055 379482877 /nfs/dbraw/zinc/48/28/77/379482877.db2.gz HIVMGBOZIVZZKJ-GFCCVEGCSA-N 2 0 280.437 2.721 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334591967 379588897 /nfs/dbraw/zinc/58/88/97/379588897.db2.gz UECNBHPYMADDAD-UHFFFAOYSA-N 2 0 274.408 2.579 20 0 CFADRP C[C@@H]1C[C@H](NCc2ccsc2Cl)CC[N@@H+]1C ZINC000335603762 379590398 /nfs/dbraw/zinc/59/03/98/379590398.db2.gz ZTPRZJFQILVJQP-MWLCHTKSSA-N 2 0 258.818 2.974 20 0 CFADRP Cc1cc(F)c(CN2CC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000335638683 379642466 /nfs/dbraw/zinc/64/24/66/379642466.db2.gz IVOJYYZRDYYOHJ-MNOVXSKESA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[NH2+]1 ZINC000335641026 379647309 /nfs/dbraw/zinc/64/73/09/379647309.db2.gz PRERCACCQQXXPV-YPMHNXCESA-N 2 0 273.355 2.604 20 0 CFADRP Cn1cnc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)ccc21 ZINC000334629137 379660429 /nfs/dbraw/zinc/66/04/29/379660429.db2.gz UAVRUQAIOZYAIS-INIZCTEOSA-N 2 0 298.434 2.537 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000173364251 379729953 /nfs/dbraw/zinc/72/99/53/379729953.db2.gz QQEPIAFVSVVQHZ-CRAIPNDOSA-N 2 0 289.467 2.568 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000173385893 379731487 /nfs/dbraw/zinc/73/14/87/379731487.db2.gz CKHJJFVUAJKAQJ-DLBZAZTESA-N 2 0 289.467 2.611 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2ccccc2)C1 ZINC000173915896 379798818 /nfs/dbraw/zinc/79/88/18/379798818.db2.gz ILPDPHIQSXWHJH-INIZCTEOSA-N 2 0 276.424 2.729 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174316036 379862970 /nfs/dbraw/zinc/86/29/70/379862970.db2.gz ZWGYNBHCYIIUJY-LVQVYYBASA-N 2 0 268.445 2.654 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC000334765059 379909403 /nfs/dbraw/zinc/90/94/03/379909403.db2.gz PVJOJNJCYFPEQP-IEBWSBKVSA-N 2 0 293.414 2.932 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC000334765058 379909461 /nfs/dbraw/zinc/90/94/61/379909461.db2.gz PVJOJNJCYFPEQP-HKUYNNGSSA-N 2 0 293.414 2.932 20 0 CFADRP Clc1ccccc1N1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000334849396 379932955 /nfs/dbraw/zinc/93/29/55/379932955.db2.gz QHRMCRIKOUWZEE-CQSZACIVSA-N 2 0 293.842 2.650 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000334870416 379936727 /nfs/dbraw/zinc/93/67/27/379936727.db2.gz PEAQLKAXRXWPTB-INIZCTEOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]C1CCc2ccccc2CC1)[C@H]1CC[NH2+]C1 ZINC000335174885 379989062 /nfs/dbraw/zinc/98/90/62/379989062.db2.gz CMSKDYRUFDZCCY-BBRMVZONSA-N 2 0 258.409 2.522 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000267827539 190357456 /nfs/dbraw/zinc/35/74/56/190357456.db2.gz UNRLIUDKDCSMTH-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC2(CCOCC2)C1 ZINC000335856960 380003630 /nfs/dbraw/zinc/00/36/30/380003630.db2.gz MHBJZVYIFFJDHK-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nccn1CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000335860899 380010127 /nfs/dbraw/zinc/01/01/27/380010127.db2.gz NWNLNGRAYZLQCD-SFHVURJKSA-N 2 0 297.402 2.661 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000335865970 380018624 /nfs/dbraw/zinc/01/86/24/380018624.db2.gz BFSRGVIZINUICA-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000335241839 380065321 /nfs/dbraw/zinc/06/53/21/380065321.db2.gz OOZHZMHEWUXSET-HOTGVXAUSA-N 2 0 289.423 2.690 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335908081 380088125 /nfs/dbraw/zinc/08/81/25/380088125.db2.gz BCUUNXUPKILJHZ-RYUDHWBXSA-N 2 0 282.790 2.563 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000335228463 380043926 /nfs/dbraw/zinc/04/39/26/380043926.db2.gz JOBUWTMCKQFYOR-TZMCWYRMSA-N 2 0 274.408 2.569 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000335259583 380096022 /nfs/dbraw/zinc/09/60/22/380096022.db2.gz KNMUKGLXAYLXLE-BXUZGUMPSA-N 2 0 252.789 2.879 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1Cl ZINC000335262279 380101121 /nfs/dbraw/zinc/10/11/21/380101121.db2.gz SYPQINMYZSQRGH-AAEUAGOBSA-N 2 0 252.789 2.879 20 0 CFADRP CN(c1ccccc1C[NH2+]C1CCC1)C1CC[NH+](C)CC1 ZINC000268341679 190396151 /nfs/dbraw/zinc/39/61/51/190396151.db2.gz LANNEHUHIDNGQB-UHFFFAOYSA-N 2 0 287.451 2.859 20 0 CFADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CCC(C)(C)C3)CC2)CC1 ZINC000335996409 380212398 /nfs/dbraw/zinc/21/23/98/380212398.db2.gz HPBHHPMMJGSCLT-INIZCTEOSA-N 3 0 293.499 2.713 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccccc2C)CC[NH2+]CC1 ZINC000423401952 284825484 /nfs/dbraw/zinc/82/54/84/284825484.db2.gz WOOFBYJIECGNMS-OAHLLOKOSA-N 2 0 276.424 2.662 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000178412830 380449835 /nfs/dbraw/zinc/44/98/35/380449835.db2.gz LKAWPJKYAXBULH-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@H]2CC=CCC2)C[C@@H](C)O1 ZINC000178895035 380492634 /nfs/dbraw/zinc/49/26/34/380492634.db2.gz DYGVMALDIZVERK-ZACQAIPSSA-N 2 0 280.456 2.822 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH+]2CCC2)C1 ZINC000572014657 383747550 /nfs/dbraw/zinc/74/75/50/383747550.db2.gz DUHKOFHDIITOKR-FUHWJXTLSA-N 2 0 287.451 2.507 20 0 CFADRP CC(C)(C)OC(=O)C1CCC([NH2+]CCN2CCCC2)CC1 ZINC000179542272 380554358 /nfs/dbraw/zinc/55/43/58/380554358.db2.gz AEJFEIRKJLXYRX-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000336789995 380635700 /nfs/dbraw/zinc/63/57/00/380635700.db2.gz VIPWPYXLRBDTRV-UHFFFAOYSA-N 2 0 288.844 2.731 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1OC ZINC000336792459 380640119 /nfs/dbraw/zinc/64/01/19/380640119.db2.gz SFGOQNJGCPNHTA-OCCSQVGLSA-N 2 0 250.386 2.863 20 0 CFADRP Cc1sccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336681652 380590150 /nfs/dbraw/zinc/59/01/50/380590150.db2.gz DWYILRUHDVPMNU-KGLIPLIRSA-N 2 0 250.411 2.773 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000179884467 380592091 /nfs/dbraw/zinc/59/20/91/380592091.db2.gz NAQJWJANTXVAKV-GDBMZVCRSA-N 2 0 278.444 2.626 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000336714875 380604695 /nfs/dbraw/zinc/60/46/95/380604695.db2.gz WKPCKQHTENAROP-VHSXEESVSA-N 2 0 271.202 2.695 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000336719192 380610345 /nfs/dbraw/zinc/61/03/45/380610345.db2.gz RNJOQFINVZLVEJ-NVXWUHKLSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc(Cl)cc1 ZINC000336730023 380618156 /nfs/dbraw/zinc/61/81/56/380618156.db2.gz XSXULOZQVYHZOD-LBPRGKRZSA-N 2 0 254.805 2.990 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000180464942 380664240 /nfs/dbraw/zinc/66/42/40/380664240.db2.gz KDNSBZOAYFTFGM-WMLDXEAASA-N 2 0 293.430 2.502 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000180464923 380664704 /nfs/dbraw/zinc/66/47/04/380664704.db2.gz KDNSBZOAYFTFGM-YOEHRIQHSA-N 2 0 293.430 2.502 20 0 CFADRP CCOC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCCC1 ZINC000336813694 380674139 /nfs/dbraw/zinc/67/41/39/380674139.db2.gz CZJDVFNLYHRUAL-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336819261 380683692 /nfs/dbraw/zinc/68/36/92/380683692.db2.gz ZBUGZHHJICSOGX-KGLIPLIRSA-N 2 0 264.413 2.733 20 0 CFADRP Cc1nc(CN2CC[C@H](Oc3ccncc3)C2)c(C)s1 ZINC000336820744 380687937 /nfs/dbraw/zinc/68/79/37/380687937.db2.gz FFEATJZIFJBIKC-AWEZNQCLSA-N 2 0 289.404 2.808 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCC[C@H]2CCOC2)CC1 ZINC000645789762 383748668 /nfs/dbraw/zinc/74/86/68/383748668.db2.gz UBRMIHRBCPSRDL-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCC(C)(C)O2)CC1 ZINC000336804030 380658551 /nfs/dbraw/zinc/65/85/51/380658551.db2.gz DTKFOTTYWCYZRL-HNNXBMFYSA-N 2 0 268.445 2.749 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000181201763 380757206 /nfs/dbraw/zinc/75/72/06/380757206.db2.gz TXHCAKCAVIPEME-WQVCFCJDSA-N 2 0 280.387 2.586 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000341168295 380812990 /nfs/dbraw/zinc/81/29/90/380812990.db2.gz GJYMAZIDFCKJCX-UHFFFAOYSA-N 2 0 250.361 2.599 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1F ZINC000341176673 380815650 /nfs/dbraw/zinc/81/56/50/380815650.db2.gz RSRZOCNVDLARHY-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341176726 380815946 /nfs/dbraw/zinc/81/59/46/380815946.db2.gz SBWKVZISWQAUSN-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000341179491 380817996 /nfs/dbraw/zinc/81/79/96/380817996.db2.gz XBSWFQCAEYCRDO-UHFFFAOYSA-N 2 0 250.361 2.599 20 0 CFADRP Cc1ccnc(C)c1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000287385693 380818495 /nfs/dbraw/zinc/81/84/95/380818495.db2.gz CKFUEZDEAFPUGR-OCCSQVGLSA-N 2 0 290.411 2.645 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000341184461 380821127 /nfs/dbraw/zinc/82/11/27/380821127.db2.gz JFHHGCQXGFMOGP-BFYDXBDKSA-N 2 0 290.455 2.611 20 0 CFADRP CC(=O)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295384388 380821512 /nfs/dbraw/zinc/82/15/12/380821512.db2.gz UIVGHZJYORARBT-JWTNVVGKSA-N 2 0 286.419 2.946 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000295452857 380862702 /nfs/dbraw/zinc/86/27/02/380862702.db2.gz QFZNSHULHAUBGP-CZUORRHYSA-N 2 0 291.464 2.639 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000346998084 380863222 /nfs/dbraw/zinc/86/32/22/380863222.db2.gz FEQYQSJKBBDNCH-UHFFFAOYSA-N 2 0 298.434 2.612 20 0 CFADRP C[C@@H](CC[NH2+]CC[C@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000400717744 380863549 /nfs/dbraw/zinc/86/35/49/380863549.db2.gz UXQZYCJNUAFXJT-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000347000643 380865713 /nfs/dbraw/zinc/86/57/13/380865713.db2.gz GQJVEBMQBMFXGU-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000181700624 380867128 /nfs/dbraw/zinc/86/71/28/380867128.db2.gz AIHJFEJWSCTFBD-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400750295 380867323 /nfs/dbraw/zinc/86/73/23/380867323.db2.gz VJHJZPGLLJHVTJ-JKOKRWQUSA-N 2 0 252.427 2.718 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000181728403 380876832 /nfs/dbraw/zinc/87/68/32/380876832.db2.gz XPSCPSRPRGTRPL-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000346975564 380835367 /nfs/dbraw/zinc/83/53/67/380835367.db2.gz JLGCUHLPKWIGRL-OAHLLOKOSA-N 2 0 287.451 2.818 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346975571 380835576 /nfs/dbraw/zinc/83/55/76/380835576.db2.gz JGXRECPVVRWMBQ-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000346981170 380843554 /nfs/dbraw/zinc/84/35/54/380843554.db2.gz MPUNHLKZJJXCKM-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP COCCC(C)(C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000234617267 284849774 /nfs/dbraw/zinc/84/97/74/284849774.db2.gz ZXULLLYHLIHYFK-UHFFFAOYSA-N 2 0 291.439 2.703 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358452174 380853843 /nfs/dbraw/zinc/85/38/43/380853843.db2.gz OUEZUYQARCBPOM-GBJTYRQASA-N 2 0 268.445 2.652 20 0 CFADRP CCCCC[N@H+](CCCOC)CC1CC[NH2+]CC1 ZINC000346996858 380859204 /nfs/dbraw/zinc/85/92/04/380859204.db2.gz DCXXRTYYQBYVBH-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP CSC1(C[NH+]2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000368106754 380926830 /nfs/dbraw/zinc/92/68/30/380926830.db2.gz BFDAHOHROSXUCK-UHFFFAOYSA-N 2 0 268.470 2.832 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181757087 380885377 /nfs/dbraw/zinc/88/53/77/380885377.db2.gz BGDHVEDKXLOECO-UONOGXRCSA-N 2 0 258.475 2.838 20 0 CFADRP COc1ccc([C@H](C)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347032511 380894211 /nfs/dbraw/zinc/89/42/11/380894211.db2.gz BMROYPKLWRNKNV-KGLIPLIRSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000181785981 380894389 /nfs/dbraw/zinc/89/43/89/380894389.db2.gz SQWCZZQISYZWEN-DZJNRPSUSA-N 2 0 287.451 2.504 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347035943 380895293 /nfs/dbraw/zinc/89/52/93/380895293.db2.gz DRSAYOKGOMGZMN-HNNXBMFYSA-N 2 0 262.397 2.502 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347035398 380896134 /nfs/dbraw/zinc/89/61/34/380896134.db2.gz GPAZNZFYQMZGMD-INIZCTEOSA-N 2 0 281.403 2.919 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000347049185 380904203 /nfs/dbraw/zinc/90/42/03/380904203.db2.gz QGTADGYQWXPULR-LLVKDONJSA-N 2 0 279.453 2.970 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181962147 380950779 /nfs/dbraw/zinc/95/07/79/380950779.db2.gz ZWHDBNGMAHUNNX-DZGCQCFKSA-N 2 0 289.423 2.637 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000341358018 380963310 /nfs/dbraw/zinc/96/33/10/380963310.db2.gz APBPBZMRRLUPFJ-BRWVUGGUSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@H+](C)C1CC[NH2+]CC1 ZINC000347159878 380975236 /nfs/dbraw/zinc/97/52/36/380975236.db2.gz GHUWUMOTNDWCRG-HNNXBMFYSA-N 2 0 260.425 2.939 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H]2CCC[C@H]21 ZINC000353948469 380979131 /nfs/dbraw/zinc/97/91/31/380979131.db2.gz UZEQHPHADKIPDN-IXDOHACOSA-N 2 0 299.462 2.966 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2Oc3ccccc3[C@H]2C)[C@@H](C)C1 ZINC000368280533 380979424 /nfs/dbraw/zinc/97/94/24/380979424.db2.gz IWDSUVPFJPSKKK-GARXJVFOSA-N 2 0 288.435 2.871 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cs1 ZINC000295564864 380945147 /nfs/dbraw/zinc/94/51/47/380945147.db2.gz ZKBBYKYRYUZXPG-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000411551786 381031486 /nfs/dbraw/zinc/03/14/86/381031486.db2.gz OCLRMMKVXXYJBW-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cn1 ZINC000354029775 381031602 /nfs/dbraw/zinc/03/16/02/381031602.db2.gz VJPHSKLDPOTACZ-MRXNPFEDSA-N 2 0 277.387 2.769 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc(OCC)n2)C1 ZINC000354011623 381018479 /nfs/dbraw/zinc/01/84/79/381018479.db2.gz VQLGXYLUUUESJM-HNNXBMFYSA-N 2 0 291.439 2.644 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000368447891 381028031 /nfs/dbraw/zinc/02/80/31/381028031.db2.gz WGJYDLNMOYWAHK-DFBDCSAJSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358656300 380995366 /nfs/dbraw/zinc/99/53/66/380995366.db2.gz XUPXPZAUFDRTIQ-KGLIPLIRSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCCF ZINC000368501454 381046432 /nfs/dbraw/zinc/04/64/32/381046432.db2.gz BANASGGRQRPXNE-OWCLPIDISA-N 2 0 286.435 2.605 20 0 CFADRP CCN(CC[C@@H]1CCC[N@@H+]1C)CC[NH+]1CCCCCC1 ZINC000347295405 381054743 /nfs/dbraw/zinc/05/47/43/381054743.db2.gz SRIJWYKVRGZEID-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP CCCC[C@@H](C(=O)OC)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000368535312 381058194 /nfs/dbraw/zinc/05/81/94/381058194.db2.gz VSKKCXQOVPQEFK-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP CCc1nc(C)cc(NCCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000341522805 381062709 /nfs/dbraw/zinc/06/27/09/381062709.db2.gz FRHKVBCFDMBGTK-AWEZNQCLSA-N 2 0 290.455 2.693 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000354077797 381063331 /nfs/dbraw/zinc/06/33/31/381063331.db2.gz IKTOHJHIJVHOEU-HNNXBMFYSA-N 2 0 298.434 2.727 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000354078128 381064813 /nfs/dbraw/zinc/06/48/13/381064813.db2.gz NORPRNCNHISIFC-INIZCTEOSA-N 2 0 294.414 2.758 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000368488855 381041999 /nfs/dbraw/zinc/04/19/99/381041999.db2.gz UQMWQNLWVLQPAV-DOTOQJQBSA-N 2 0 294.483 2.924 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)CC[C@H]21 ZINC000368495280 381045437 /nfs/dbraw/zinc/04/54/37/381045437.db2.gz TUYQLNFAJCSPCB-RBSFLKMASA-N 2 0 250.430 2.981 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000354108019 381083008 /nfs/dbraw/zinc/08/30/08/381083008.db2.gz SRZQQUUGLXESMK-SFHVURJKSA-N 2 0 290.451 2.928 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000289692613 381105397 /nfs/dbraw/zinc/10/53/97/381105397.db2.gz FAQVERQXSMERTM-JQHSSLGASA-N 2 0 290.451 2.772 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CN1C1CC1 ZINC000368719922 381118720 /nfs/dbraw/zinc/11/87/20/381118720.db2.gz TVIOIJLWFLOALY-BFYDXBDKSA-N 2 0 299.462 2.510 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000354166185 381119065 /nfs/dbraw/zinc/11/90/65/381119065.db2.gz JNTHSDXCOLYHHR-GOSISDBHSA-N 2 0 287.451 2.740 20 0 CFADRP CCOC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354212071 381143511 /nfs/dbraw/zinc/14/35/11/381143511.db2.gz ZHMJMVSPKUMADE-GJZGRUSLSA-N 2 0 284.444 2.524 20 0 CFADRP COC1CC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000347431813 381147953 /nfs/dbraw/zinc/14/79/53/381147953.db2.gz QERZCBODKHIRBV-UHFFFAOYSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCOC ZINC000347407130 381129161 /nfs/dbraw/zinc/12/91/61/381129161.db2.gz DGZNXBJBLBYASO-HRCADAONSA-N 2 0 270.461 2.902 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000341878849 381197463 /nfs/dbraw/zinc/19/74/63/381197463.db2.gz SFRGWESBPNFAHX-KZNAEPCWSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CCN(C3CCCC3)C2)cn1 ZINC000354326319 381203652 /nfs/dbraw/zinc/20/36/52/381203652.db2.gz CWJOYSQKTORRNM-KRWDZBQOSA-N 3 0 287.451 2.929 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)C[C@@H]21 ZINC000342087619 381209948 /nfs/dbraw/zinc/20/99/48/381209948.db2.gz PKGURYXCJCQRGE-ZFVVBOAOSA-N 2 0 274.383 2.872 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC3CCCCCC3)C[C@H]21 ZINC000342087030 381210981 /nfs/dbraw/zinc/21/09/81/381210981.db2.gz PDOMRWTYTGYUMT-USXIJHARSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H]([NH2+]Cc1cc[nH]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100091 381216014 /nfs/dbraw/zinc/21/60/14/381216014.db2.gz PVKSYBSFRGVIBF-HIFRSBDPSA-N 2 0 261.413 2.757 20 0 CFADRP CCCCC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000369402635 381251403 /nfs/dbraw/zinc/25/14/03/381251403.db2.gz GYYHHUHUTUWPTN-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC(=O)c1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000296041881 381225884 /nfs/dbraw/zinc/22/58/84/381225884.db2.gz PVGAJBFIKYPDMR-KRWDZBQOSA-N 2 0 274.408 2.805 20 0 CFADRP CC(C)[C@H](C)[N@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347582836 381237321 /nfs/dbraw/zinc/23/73/21/381237321.db2.gz INWOPGOFJPSCTO-NSHDSACASA-N 2 0 255.431 2.681 20 0 CFADRP CC(C)N1CCc2nc(C[NH2+][C@H]3CC[C@@H](F)C3)sc2C1 ZINC000342275181 381240840 /nfs/dbraw/zinc/24/08/40/381240840.db2.gz AKNUTUZFDVNPNP-NEPJUHHUSA-N 2 0 297.443 2.890 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258478 381243435 /nfs/dbraw/zinc/24/34/35/381243435.db2.gz WOWKBCIXASJHPQ-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC2(SC)CC2)CC1 ZINC000347650964 381276065 /nfs/dbraw/zinc/27/60/65/381276065.db2.gz ONACKFQUMZXUDM-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cs1 ZINC000296166911 381283541 /nfs/dbraw/zinc/28/35/41/381283541.db2.gz WXXWJTVWNZLFNG-HUUCEWRRSA-N 2 0 264.438 2.973 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369881291 381346344 /nfs/dbraw/zinc/34/63/44/381346344.db2.gz FRNKDQPQFODJDT-RDJZCZTQSA-N 2 0 287.451 2.506 20 0 CFADRP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369964503 381357028 /nfs/dbraw/zinc/35/70/28/381357028.db2.gz UJCHPJRQOUWTPK-HDNKPZPWSA-N 2 0 280.456 2.822 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC=CO2)CCN1Cc1ccccc1 ZINC000290279782 381368350 /nfs/dbraw/zinc/36/83/50/381368350.db2.gz YZNKIOAOWOLKSX-BPQIPLTHSA-N 2 0 286.419 2.932 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(C)c1O ZINC000290384049 381406058 /nfs/dbraw/zinc/40/60/58/381406058.db2.gz IHTIVYFMAFEPBG-IRXDYDNUSA-N 2 0 288.435 2.925 20 0 CFADRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370159228 381395228 /nfs/dbraw/zinc/39/52/28/381395228.db2.gz BRVJCKGMGWTYKK-OCCSQVGLSA-N 2 0 294.468 2.607 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)CCC(C)(C)C ZINC000342570175 381403598 /nfs/dbraw/zinc/40/35/98/381403598.db2.gz BGZUJOASGTZVLA-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1ccc(F)c(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290494783 381450459 /nfs/dbraw/zinc/45/04/59/381450459.db2.gz OTWJSVHWVCYPMT-BBRMVZONSA-N 2 0 264.388 2.906 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184457548 381419336 /nfs/dbraw/zinc/41/93/36/381419336.db2.gz ZKBSWPVDFVVQGT-HNNXBMFYSA-N 2 0 290.455 2.982 20 0 CFADRP COCCN1CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000342689789 381480268 /nfs/dbraw/zinc/48/02/68/381480268.db2.gz OLUFXWNDLHILHS-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2-c2cccnc2)C1 ZINC000370471124 381452740 /nfs/dbraw/zinc/45/27/40/381452740.db2.gz RBWITMYJZJOACO-HNNXBMFYSA-N 2 0 282.391 2.674 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCOC(C)(C)C)CC[C@H]21 ZINC000354805720 381462714 /nfs/dbraw/zinc/46/27/14/381462714.db2.gz JZAFRNZATGFTKQ-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)(C)OCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000354818987 381470213 /nfs/dbraw/zinc/47/02/13/381470213.db2.gz NFLAFWXTWYOYNW-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@H]1c1ccccc1 ZINC000370754022 381507102 /nfs/dbraw/zinc/50/71/02/381507102.db2.gz NXEWRRJWGVASHC-ZWKOTPCHSA-N 2 0 286.419 2.616 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)o1 ZINC000290641874 381507395 /nfs/dbraw/zinc/50/73/95/381507395.db2.gz YNQZOWUPTKUHSL-XJKSGUPXSA-N 2 0 262.397 2.758 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000412978408 381516532 /nfs/dbraw/zinc/51/65/32/381516532.db2.gz PRSYGDFUQZSWDQ-GVDBMIGSSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000412979058 381516772 /nfs/dbraw/zinc/51/67/72/381516772.db2.gz SNNKPVJUOVDWEL-ZWKOTPCHSA-N 2 0 290.451 2.865 20 0 CFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2)cc1 ZINC000370680640 381490634 /nfs/dbraw/zinc/49/06/34/381490634.db2.gz JOPKOKLDQLBMGR-ZWKOTPCHSA-N 2 0 270.420 2.850 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000290593994 381493849 /nfs/dbraw/zinc/49/38/49/381493849.db2.gz VNRJGFRKKZMHKE-STQMWFEESA-N 2 0 280.437 2.673 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000354862925 381493949 /nfs/dbraw/zinc/49/39/49/381493949.db2.gz XKFADGUEYXHUIB-AEFFLSMTSA-N 2 0 294.483 2.591 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000354961450 381538469 /nfs/dbraw/zinc/53/84/69/381538469.db2.gz QCDBCKMCHQQSLF-NWANDNLSSA-N 2 0 268.445 2.508 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000348385338 381544321 /nfs/dbraw/zinc/54/43/21/381544321.db2.gz WJEHNFLNOGPKCE-XLNGHYISSA-N 2 0 280.456 2.533 20 0 CFADRP CCC1(C[NH2+]C2CCN(CCCC(=O)OC)CC2)CCC1 ZINC000342774192 381530451 /nfs/dbraw/zinc/53/04/51/381530451.db2.gz CSLSAJUVZCEAOX-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CC[NH+]1CCC(NCc2ccnc(Cl)c2Cl)CC1 ZINC000290856841 381576534 /nfs/dbraw/zinc/57/65/34/381576534.db2.gz KCGHINHHOSCPCL-UHFFFAOYSA-N 2 0 288.222 2.962 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)COC)[C@H](C)C1 ZINC000348413028 381557176 /nfs/dbraw/zinc/55/71/76/381557176.db2.gz OUDQMDXYFJMKEX-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CCSCC[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000371203373 381565679 /nfs/dbraw/zinc/56/56/79/381565679.db2.gz AJUAMGQXKSQCGW-UHFFFAOYSA-N 2 0 279.453 2.735 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cn1 ZINC000342818357 381565668 /nfs/dbraw/zinc/56/56/68/381565668.db2.gz NVXKTYABSJCPOP-IRXDYDNUSA-N 2 0 274.408 2.966 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000414188388 381568757 /nfs/dbraw/zinc/56/87/57/381568757.db2.gz QQIQUXYAASZBSM-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP COCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371209279 381569720 /nfs/dbraw/zinc/56/97/20/381569720.db2.gz SWJDHRBLTNETTD-MRXNPFEDSA-N 2 0 268.445 2.611 20 0 CFADRP CC[C@@H](C)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371351105 381599225 /nfs/dbraw/zinc/59/92/25/381599225.db2.gz TZGBRUMTGDGQRH-MRXNPFEDSA-N 2 0 281.488 2.523 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414693611 381600158 /nfs/dbraw/zinc/60/01/58/381600158.db2.gz CMEKPIBXPDQOJI-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP CCO[C@H]1C[C@@H](N(C)CC[NH2+]C(C)(C)C)C1(C)C ZINC000414703576 381601160 /nfs/dbraw/zinc/60/11/60/381601160.db2.gz MFTMXFGBGYTABN-OLZOCXBDSA-N 2 0 256.434 2.510 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414847249 381607818 /nfs/dbraw/zinc/60/78/18/381607818.db2.gz VTVSOQCEDSZLCU-UONOGXRCSA-N 2 0 285.435 2.779 20 0 CFADRP CCCCOC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414749255 381602879 /nfs/dbraw/zinc/60/28/79/381602879.db2.gz VUYIQJZPDKVUHR-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781670 381604869 /nfs/dbraw/zinc/60/48/69/381604869.db2.gz NKJNULWHGCLHGA-QWHCGFSZSA-N 2 0 280.362 2.786 20 0 CFADRP CCC1CCC([N@H+](CCO)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414756359 381605356 /nfs/dbraw/zinc/60/53/56/381605356.db2.gz QOGAQPUITHAQSS-SOEBMCCKSA-N 2 0 282.472 2.638 20 0 CFADRP CCCCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294060 381584383 /nfs/dbraw/zinc/58/43/83/381584383.db2.gz IWWUUQKJYIMOPR-HRCADAONSA-N 2 0 268.445 2.750 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414853809 381609131 /nfs/dbraw/zinc/60/91/31/381609131.db2.gz TXXOYRIICJFDOU-DCAQKATOSA-N 2 0 252.324 2.553 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000414854992 381609381 /nfs/dbraw/zinc/60/93/81/381609381.db2.gz MOGHZNTUOVBQPB-UKPHBRMFSA-N 2 0 288.435 2.530 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH3+])ccc1C(F)(F)F ZINC000414901009 381611330 /nfs/dbraw/zinc/61/13/30/381611330.db2.gz HWDKEDFROYMQKH-UHFFFAOYSA-N 2 0 260.303 2.842 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000355109310 381617415 /nfs/dbraw/zinc/61/74/15/381617415.db2.gz AWVFHXAIZPLTHM-SPUZQDLCSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+](CC)CC ZINC000359803836 381618215 /nfs/dbraw/zinc/61/82/15/381618215.db2.gz VKKCXUZQJMUZLW-GJZGRUSLSA-N 2 0 299.503 2.589 20 0 CFADRP CC[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+](CC)CC ZINC000359803837 381618273 /nfs/dbraw/zinc/61/82/73/381618273.db2.gz VKKCXUZQJMUZLW-HUUCEWRRSA-N 2 0 299.503 2.589 20 0 CFADRP CCSCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371418156 381620400 /nfs/dbraw/zinc/62/04/00/381620400.db2.gz MQJJRQGJEKVRTG-AWEZNQCLSA-N 2 0 282.497 2.936 20 0 CFADRP C1=CC[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000371417220 381621485 /nfs/dbraw/zinc/62/14/85/381621485.db2.gz SQTIYXCQNBTIFP-GOSISDBHSA-N 2 0 292.467 2.777 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414931334 381621851 /nfs/dbraw/zinc/62/18/51/381621851.db2.gz BPXZRRJZVYQEAB-ZENOOKHLSA-N 2 0 264.388 2.734 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1SC ZINC000414934181 381625190 /nfs/dbraw/zinc/62/51/90/381625190.db2.gz AGSUHKMZAMNZID-AAEUAGOBSA-N 2 0 280.437 2.505 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414936713 381626494 /nfs/dbraw/zinc/62/64/94/381626494.db2.gz ZJWMGSUUAKVVMF-HOTGVXAUSA-N 2 0 298.434 2.849 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414946114 381636131 /nfs/dbraw/zinc/63/61/31/381636131.db2.gz SPPCENQBTCASDH-OAHLLOKOSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414944573 381636452 /nfs/dbraw/zinc/63/64/52/381636452.db2.gz QFIHZYJESCHALV-YQQAZPJKSA-N 2 0 260.425 2.904 20 0 CFADRP Cc1ccc(CCC[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000355131828 381633036 /nfs/dbraw/zinc/63/30/36/381633036.db2.gz MSXWSMQXPBXDKX-UHFFFAOYSA-N 2 0 287.451 2.787 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1F ZINC000414944005 381633698 /nfs/dbraw/zinc/63/36/98/381633698.db2.gz OTRKEVZNXHNAMP-ZENOOKHLSA-N 2 0 294.414 2.601 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414947391 381638578 /nfs/dbraw/zinc/63/85/78/381638578.db2.gz KTMYFHCELCNELX-YPMHNXCESA-N 2 0 250.411 2.639 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000371518426 381650286 /nfs/dbraw/zinc/65/02/86/381650286.db2.gz HXQDLCCJSFLMEB-LESCRADOSA-N 2 0 298.434 2.764 20 0 CFADRP COC[C@@]1(C[NH2+]CC[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414951048 381643123 /nfs/dbraw/zinc/64/31/23/381643123.db2.gz GHBVZNRQBMFTMK-WBVHZDCISA-N 2 0 276.424 2.538 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414952113 381643374 /nfs/dbraw/zinc/64/33/74/381643374.db2.gz QNBDIBWALBKVNM-BBRMVZONSA-N 2 0 284.407 2.615 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1c1ccccc1 ZINC000414961293 381656448 /nfs/dbraw/zinc/65/64/48/381656448.db2.gz YSLZPVYZJWBTHN-PEHHYFEISA-N 2 0 258.409 2.909 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414962154 381657862 /nfs/dbraw/zinc/65/78/62/381657862.db2.gz VZDAKMFFKOJXDE-RRFJBIMHSA-N 2 0 256.434 2.559 20 0 CFADRP CC(C)Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414963518 381657931 /nfs/dbraw/zinc/65/79/31/381657931.db2.gz UAKVTVBUIUFFQU-YOEHRIQHSA-N 2 0 260.425 2.973 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OC(C)C ZINC000414964267 381660200 /nfs/dbraw/zinc/66/02/00/381660200.db2.gz UQESDSGYQOFIND-ZFWWWQNUSA-N 2 0 292.423 2.570 20 0 CFADRP CCn1nc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000414964496 381660454 /nfs/dbraw/zinc/66/04/54/381660454.db2.gz MHMGZBZEHVYRJE-CQSZACIVSA-N 2 0 286.423 2.678 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414964574 381662544 /nfs/dbraw/zinc/66/25/44/381662544.db2.gz DUYGXKRJBWIALB-JZIMQPMSSA-N 2 0 262.372 2.817 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000414966509 381663786 /nfs/dbraw/zinc/66/37/86/381663786.db2.gz GKTRCIXPGNLBMS-WFASDCNBSA-N 2 0 264.388 2.907 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC000414967249 381664589 /nfs/dbraw/zinc/66/45/89/381664589.db2.gz HFQQIRDDNQXSGX-INIZCTEOSA-N 2 0 258.409 2.653 20 0 CFADRP FC(F)(F)c1ncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414968647 381665462 /nfs/dbraw/zinc/66/54/62/381665462.db2.gz SBWLHKWFRQHIIO-VIFPVBQESA-N 2 0 293.358 2.784 20 0 CFADRP COCC1(C[NH2+][C@@H](C)C2CCCCC2)CC[NH2+]CC1 ZINC000414968977 381666290 /nfs/dbraw/zinc/66/62/90/381666290.db2.gz GFSITCZWTMUYDG-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414971435 381668015 /nfs/dbraw/zinc/66/80/15/381668015.db2.gz LFRYZTMFIMCOPU-MRXNPFEDSA-N 2 0 269.392 2.857 20 0 CFADRP CC[N@H+]1C[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000343268524 381672289 /nfs/dbraw/zinc/67/22/89/381672289.db2.gz FUZLNNUNDKUVTG-OKZBNKHCSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@@H](C)[NH+](C)CCOCC[N@@H+](C)[C@H](C)C(C)C ZINC000343288132 381672712 /nfs/dbraw/zinc/67/27/12/381672712.db2.gz VFLNOLIUTQFLCC-HZPDHXFCSA-N 2 0 272.477 2.956 20 0 CFADRP COCC1(C[NH2+]Cc2cc(Cl)cs2)CC[NH2+]CC1 ZINC000414978362 381673235 /nfs/dbraw/zinc/67/32/35/381673235.db2.gz SLJPSNPSADZNBG-UHFFFAOYSA-N 2 0 288.844 2.507 20 0 CFADRP COCC1(C[NH2+]CCC2CCCCC2)CC[NH2+]CC1 ZINC000414978386 381673267 /nfs/dbraw/zinc/67/32/67/381673267.db2.gz SQUDNZZNCHUVRD-UHFFFAOYSA-N 2 0 268.445 2.563 20 0 CFADRP Clc1cc2c(c(C[NH2+]CCC[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000414978143 381673296 /nfs/dbraw/zinc/67/32/96/381673296.db2.gz SGPOQAVHEJGKJL-HNNXBMFYSA-N 2 0 294.826 2.897 20 0 CFADRP C[NH2+]Cc1ccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414979173 381673591 /nfs/dbraw/zinc/67/35/91/381673591.db2.gz TZBSITRHBYMHTP-BRWVUGGUSA-N 2 0 273.424 2.739 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000371517825 381650370 /nfs/dbraw/zinc/65/03/70/381650370.db2.gz FZYHLJBAFMTAKR-SQNIBIBYSA-N 2 0 288.435 2.694 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414957575 381651950 /nfs/dbraw/zinc/65/19/50/381651950.db2.gz WBFCACQVILLUEQ-ZYHUDNBSSA-N 2 0 288.313 2.815 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCC2CCCC2)CCC[NH2+]1 ZINC000414959531 381653163 /nfs/dbraw/zinc/65/31/63/381653163.db2.gz SJCUZAROPBTUMC-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)CCCC[NH3+])CC1CCOCC1 ZINC000415014548 381708336 /nfs/dbraw/zinc/70/83/36/381708336.db2.gz MOXSSRDIJVOZQZ-ZIAGYGMSSA-N 2 0 256.434 2.546 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371840395 381709728 /nfs/dbraw/zinc/70/97/28/381709728.db2.gz HPNIBICTTZRDGI-ZWKOTPCHSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000415018027 381711134 /nfs/dbraw/zinc/71/11/34/381711134.db2.gz GEEWXKGKUOZJMB-OLZOCXBDSA-N 2 0 274.412 2.601 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415017657 381711713 /nfs/dbraw/zinc/71/17/13/381711713.db2.gz QIVYMMQZBVCLHN-CHWSQXEVSA-N 2 0 295.858 2.630 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000415017868 381711772 /nfs/dbraw/zinc/71/17/72/381711772.db2.gz AQCDQDLALNBLJQ-WKILWMFISA-N 2 0 298.434 2.727 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415018887 381713035 /nfs/dbraw/zinc/71/30/35/381713035.db2.gz HGLCYLDSFXLAGT-NWDGAFQWSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415018610 381713247 /nfs/dbraw/zinc/71/32/47/381713247.db2.gz UPEOGHUYRYLZJR-OLZOCXBDSA-N 2 0 295.402 2.650 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000415019810 381713254 /nfs/dbraw/zinc/71/32/54/381713254.db2.gz WKXLUCMLGDYRKP-LLVKDONJSA-N 2 0 292.452 2.880 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCSCc1ccccc1 ZINC000415018622 381713430 /nfs/dbraw/zinc/71/34/30/381713430.db2.gz HFNXREHPTOFVHU-ZDUSSCGKSA-N 2 0 252.427 2.637 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(C2CC2)n1 ZINC000415020852 381715020 /nfs/dbraw/zinc/71/50/20/381715020.db2.gz XWBUHXZGGMJEIY-JTQLQIEISA-N 2 0 253.415 2.628 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccccc1F ZINC000415021963 381715297 /nfs/dbraw/zinc/71/52/97/381715297.db2.gz ZBICGIDVIFBKJX-CHWSQXEVSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000415020857 381715384 /nfs/dbraw/zinc/71/53/84/381715384.db2.gz XWLQBUIYMSTBME-CQSZACIVSA-N 2 0 276.424 2.661 20 0 CFADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414980360 381675010 /nfs/dbraw/zinc/67/50/10/381675010.db2.gz WIBCJMKQUAMKOS-CYBMUJFWSA-N 2 0 282.815 2.970 20 0 CFADRP CC[C@H]([NH3+])CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414981396 381675247 /nfs/dbraw/zinc/67/52/47/381675247.db2.gz BPMNCNQOGWYJKR-AWEZNQCLSA-N 2 0 295.858 2.631 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000414985313 381678624 /nfs/dbraw/zinc/67/86/24/381678624.db2.gz BEXXJTUGFCVYOR-WBMJQRKESA-N 2 0 287.382 2.981 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000343446815 381716309 /nfs/dbraw/zinc/71/63/09/381716309.db2.gz NAFXSLHGNYCFAJ-MRXNPFEDSA-N 2 0 292.398 2.753 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1CC=CCC1 ZINC000355213974 381683485 /nfs/dbraw/zinc/68/34/85/381683485.db2.gz RYCQPPRWAISQQJ-QBPKDAKJSA-N 2 0 278.440 2.526 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414989134 381683780 /nfs/dbraw/zinc/68/37/80/381683780.db2.gz GTBQMLYUGJYMAW-DOMZBBRYSA-N 2 0 250.361 2.741 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415022621 381716483 /nfs/dbraw/zinc/71/64/83/381716483.db2.gz ZWJUNTVBFHTOJA-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414994404 381687288 /nfs/dbraw/zinc/68/72/88/381687288.db2.gz DNAYGPQOYNGONP-NHYWBVRUSA-N 2 0 294.826 2.882 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414996403 381689330 /nfs/dbraw/zinc/68/93/30/381689330.db2.gz XRWNNVFESSYZQT-WCQYABFASA-N 2 0 286.366 2.936 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCCOc1ccccc1 ZINC000415022916 381716707 /nfs/dbraw/zinc/71/67/07/381716707.db2.gz MBEGMYFTKQRGCD-CQSZACIVSA-N 2 0 250.386 2.563 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000415001038 381693431 /nfs/dbraw/zinc/69/34/31/381693431.db2.gz UMJIBDAYCMVOMJ-CJNGLKHVSA-N 2 0 269.392 2.842 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000415003107 381695102 /nfs/dbraw/zinc/69/51/02/381695102.db2.gz WOGQHVDVSHHNFA-ZFWWWQNUSA-N 2 0 292.423 2.701 20 0 CFADRP COc1ccc(C)cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023490 381716996 /nfs/dbraw/zinc/71/69/96/381716996.db2.gz LJDQOSGRQCMGHN-SHTZXODSSA-N 2 0 276.424 2.858 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000415004566 381697140 /nfs/dbraw/zinc/69/71/40/381697140.db2.gz OIPAJOLVAADOFN-CMPLNLGQSA-N 2 0 298.333 2.615 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000415022458 381717132 /nfs/dbraw/zinc/71/71/32/381717132.db2.gz ZNTPOUODAXYCBU-QMMMGPOBSA-N 2 0 281.347 2.769 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415005077 381699162 /nfs/dbraw/zinc/69/91/62/381699162.db2.gz OTTLXNQDQDJWCA-NZUILWFCSA-N 2 0 276.399 2.764 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415005484 381699172 /nfs/dbraw/zinc/69/91/72/381699172.db2.gz ZEXFNPPOMJGLPB-VXGBXAGGSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000415007258 381701136 /nfs/dbraw/zinc/70/11/36/381701136.db2.gz BCRDPGZQBFFTKO-LLVKDONJSA-N 2 0 282.815 2.882 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000359967182 381702184 /nfs/dbraw/zinc/70/21/84/381702184.db2.gz VPXMPFVSBTZNTJ-ZDUSSCGKSA-N 2 0 250.386 2.675 20 0 CFADRP C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000185672885 381702214 /nfs/dbraw/zinc/70/22/14/381702214.db2.gz CDVIVYBDUKDZDT-ULQDDVLXSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000415039305 381728419 /nfs/dbraw/zinc/72/84/19/381728419.db2.gz NVSORMLBSXGARI-PWSUYJOCSA-N 2 0 288.313 2.802 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000415042874 381730048 /nfs/dbraw/zinc/73/00/48/381730048.db2.gz RJJRMJPEJKYPTH-ZYHUDNBSSA-N 2 0 268.788 2.566 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000415042793 381730239 /nfs/dbraw/zinc/73/02/39/381730239.db2.gz REORIKBRDZZINE-AAEUAGOBSA-N 2 0 272.314 2.922 20 0 CFADRP COc1ccccc1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953128 412952788 /nfs/dbraw/zinc/95/27/88/412952788.db2.gz YMIWXCHNYNSOIC-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415048379 381735163 /nfs/dbraw/zinc/73/51/63/381735163.db2.gz WYEITFPKGGZCEQ-VNHYZAJKSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000415048663 381735178 /nfs/dbraw/zinc/73/51/78/381735178.db2.gz XBFRSRLOOZPYPP-QLFBSQMISA-N 2 0 282.378 2.970 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000415051348 381736004 /nfs/dbraw/zinc/73/60/04/381736004.db2.gz ZFZDUBJDANQIFZ-LSDHHAIUSA-N 2 0 264.438 2.637 20 0 CFADRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052261 381738214 /nfs/dbraw/zinc/73/82/14/381738214.db2.gz MZRHOXFBMFPTIQ-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000415053296 381738287 /nfs/dbraw/zinc/73/82/87/381738287.db2.gz MKRBVYPHBSYDDW-YFVGIKETSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)COC2 ZINC000360031089 381740650 /nfs/dbraw/zinc/74/06/50/381740650.db2.gz YVXUHBDRXCARLE-DOPJRALCSA-N 2 0 286.419 2.994 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415058663 381743990 /nfs/dbraw/zinc/74/39/90/381743990.db2.gz UHVWYYKZHJBLJL-GOSISDBHSA-N 3 0 289.467 2.931 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000372093442 381750804 /nfs/dbraw/zinc/75/08/04/381750804.db2.gz FFDZPYUGDOQLTQ-DLBZAZTESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415069579 381753339 /nfs/dbraw/zinc/75/33/39/381753339.db2.gz PCQHIEMRAPYXLH-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000343500471 381754924 /nfs/dbraw/zinc/75/49/24/381754924.db2.gz CUXVMGOMFAVPDE-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+](C)CCCN(CCC[NH+](C)C)C[C@@H]1CC=CCC1 ZINC000348889194 381755699 /nfs/dbraw/zinc/75/56/99/381755699.db2.gz CIKHIXZBNQAMLK-QGZVFWFLSA-N 2 0 281.488 2.548 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCCC[NH2+]C2)cc1F ZINC000415070641 381756787 /nfs/dbraw/zinc/75/67/87/381756787.db2.gz IUCAVBJQNXZFMB-HIFRSBDPSA-N 2 0 294.414 2.745 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@H](C)CCC[NH3+])O[C@H](C)C2 ZINC000415025966 381718383 /nfs/dbraw/zinc/71/83/83/381718383.db2.gz SHDCVUMMTJEEHM-CHWSQXEVSA-N 2 0 292.423 2.626 20 0 CFADRP CSCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739278 381719500 /nfs/dbraw/zinc/71/95/00/381719500.db2.gz WPVIANRDXQUTBJ-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1Cl ZINC000415027113 381719974 /nfs/dbraw/zinc/71/99/74/381719974.db2.gz WCBPIWMYHCYGFC-JTQLQIEISA-N 2 0 256.777 2.566 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000415028028 381720369 /nfs/dbraw/zinc/72/03/69/381720369.db2.gz BWTDNKXVJOWWIL-UQFXTHDASA-N 2 0 258.409 2.896 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415028608 381722113 /nfs/dbraw/zinc/72/21/13/381722113.db2.gz ZCOICGZTBORVRD-JTQLQIEISA-N 2 0 258.312 2.505 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000415031982 381723346 /nfs/dbraw/zinc/72/33/46/381723346.db2.gz HPAHHSPWQOWJLD-JOYOIKCWSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000415035010 381724247 /nfs/dbraw/zinc/72/42/47/381724247.db2.gz KGKYHFKYSGRAKD-RDTXWAMCSA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000415037808 381727122 /nfs/dbraw/zinc/72/71/22/381727122.db2.gz MMTJHYCJMWPJAI-RDTXWAMCSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415098892 381781334 /nfs/dbraw/zinc/78/13/34/381781334.db2.gz GBAMPGGTAMXUPX-NWDGAFQWSA-N 2 0 268.351 2.658 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000415099234 381781550 /nfs/dbraw/zinc/78/15/50/381781550.db2.gz GMAUOOFFVRMFOM-AOCRQIFASA-N 3 0 295.515 2.993 20 0 CFADRP CCc1oc2ccccc2c1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415110333 381787288 /nfs/dbraw/zinc/78/72/88/381787288.db2.gz NCBUBDOOAFDSQI-CYBMUJFWSA-N 2 0 288.391 2.545 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000372294968 381787780 /nfs/dbraw/zinc/78/77/80/381787780.db2.gz MGNGHFQRKMUDTB-DLBZAZTESA-N 2 0 280.456 2.752 20 0 CFADRP CCC[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415117522 381790143 /nfs/dbraw/zinc/79/01/43/381790143.db2.gz ZMLQGLJZZZQBDX-IRXDYDNUSA-N 2 0 276.424 2.620 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000415122318 381792971 /nfs/dbraw/zinc/79/29/71/381792971.db2.gz IBUKPWOZPYGRSJ-YPMHNXCESA-N 2 0 284.350 2.705 20 0 CFADRP CC(C)[C@](C)(O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000372342972 381795244 /nfs/dbraw/zinc/79/52/44/381795244.db2.gz AXNHOSUPVRLGQD-NVXWUHKLSA-N 2 0 294.483 2.590 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000355683907 381795271 /nfs/dbraw/zinc/79/52/71/381795271.db2.gz PBBODHSFRLEZKZ-GJZGRUSLSA-N 2 0 268.445 2.606 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415126965 381797840 /nfs/dbraw/zinc/79/78/40/381797840.db2.gz QOJFRUBMVNORMR-CWRNSKLLSA-N 2 0 268.445 2.641 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Oc1ccccc1C ZINC000415075406 381760930 /nfs/dbraw/zinc/76/09/30/381760930.db2.gz FDDYUWGKWLZKKB-HZPDHXFCSA-N 2 0 276.424 2.884 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1ccccc1Cl ZINC000415075806 381761150 /nfs/dbraw/zinc/76/11/50/381761150.db2.gz AIRVJRYJYUYSGY-CYBMUJFWSA-N 2 0 254.805 2.846 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)ccc1C ZINC000415075115 381761886 /nfs/dbraw/zinc/76/18/86/381761886.db2.gz BBUCGVFZESIKIL-GOEBONIOSA-N 2 0 276.424 2.666 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CCc1ccc(Cl)s1 ZINC000415079196 381765192 /nfs/dbraw/zinc/76/51/92/381765192.db2.gz HPCFKINQDMEXTQ-JTQLQIEISA-N 2 0 260.834 2.907 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2csc(-c3ccco3)n2)CC[NH2+]1 ZINC000415079531 381766258 /nfs/dbraw/zinc/76/62/58/381766258.db2.gz HXVHTLAKCVCJFC-NWDGAFQWSA-N 2 0 291.420 2.881 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415081167 381766271 /nfs/dbraw/zinc/76/62/71/381766271.db2.gz JZFUZLKLDNCZIP-HOTGVXAUSA-N 2 0 260.425 2.966 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415081461 381767719 /nfs/dbraw/zinc/76/77/19/381767719.db2.gz CASXIYOASPOPFW-WWGRRREGSA-N 2 0 274.408 2.803 20 0 CFADRP CC[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000415081713 381768170 /nfs/dbraw/zinc/76/81/70/381768170.db2.gz NFATYFJFQAZDSN-JKSUJKDBSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415084130 381769270 /nfs/dbraw/zinc/76/92/70/381769270.db2.gz RAODKFDMULVMDE-YNEHKIRRSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000415087711 381773608 /nfs/dbraw/zinc/77/36/08/381773608.db2.gz UBZPTUVKAQYBTL-CHWSQXEVSA-N 2 0 282.815 2.697 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1C ZINC000415087688 381773902 /nfs/dbraw/zinc/77/39/02/381773902.db2.gz WITWPQUWHQBTGD-ZFWWWQNUSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415089827 381775570 /nfs/dbraw/zinc/77/55/70/381775570.db2.gz XCTHSSDFUBENHQ-HUUCEWRRSA-N 2 0 260.425 2.942 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415093583 381779573 /nfs/dbraw/zinc/77/95/73/381779573.db2.gz VUXCEBMDTOHBKC-IOASZLSFSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@]1(C[NH2+]CCc2cc3ccccc3o2)CC[NH2+]C1 ZINC000415092935 381779588 /nfs/dbraw/zinc/77/95/88/381779588.db2.gz UJADNBNIOSTFBA-MRXNPFEDSA-N 2 0 258.365 2.565 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292788338 381834299 /nfs/dbraw/zinc/83/42/99/381834299.db2.gz MBWAIXIOEYBVOZ-QGZVFWFLSA-N 2 0 258.409 2.831 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000349179830 381839597 /nfs/dbraw/zinc/83/95/97/381839597.db2.gz CRBQCCIFHGHOQK-HNNXBMFYSA-N 2 0 292.423 2.590 20 0 CFADRP CC[C@@H](C)C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415136321 381802027 /nfs/dbraw/zinc/80/20/27/381802027.db2.gz RNXNGYPGRJPUQU-MRXNPFEDSA-N 2 0 289.467 2.616 20 0 CFADRP C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000415139439 381803029 /nfs/dbraw/zinc/80/30/29/381803029.db2.gz ZQXUKBXSTSHULT-KXAWDHGWSA-N 2 0 262.372 2.756 20 0 CFADRP CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355780911 381805581 /nfs/dbraw/zinc/80/55/81/381805581.db2.gz JBNGRPTXAJLEFV-QGZVFWFLSA-N 2 0 258.409 2.994 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000349058928 381807476 /nfs/dbraw/zinc/80/74/76/381807476.db2.gz AJYUUPCJRIABQK-GOSISDBHSA-N 2 0 289.467 2.535 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356875531 381880120 /nfs/dbraw/zinc/88/01/20/381880120.db2.gz QZDWIRJRCQCDPC-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP COC1(C[N@H+](C)CCC[NH+]2CCCC2)CCCCC1 ZINC000343622242 381848152 /nfs/dbraw/zinc/84/81/52/381848152.db2.gz NVMZZJOITSBNHY-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000349217294 381851202 /nfs/dbraw/zinc/85/12/02/381851202.db2.gz MKWGFTOBUBLUOS-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCc2ccc(OC)cc2)C1 ZINC000343649560 381867429 /nfs/dbraw/zinc/86/74/29/381867429.db2.gz YYRAIKNZIYZVSZ-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000361897650 381871435 /nfs/dbraw/zinc/87/14/35/381871435.db2.gz UZISDTGEIZLEBS-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C)nc2)c1 ZINC000356931161 381909599 /nfs/dbraw/zinc/90/95/99/381909599.db2.gz XIESNWXLWNFKNY-UHFFFAOYSA-N 2 0 284.407 2.527 20 0 CFADRP CC(C)c1csc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000362129330 381922142 /nfs/dbraw/zinc/92/21/42/381922142.db2.gz LEVRLYKBFHLTRR-VXGBXAGGSA-N 2 0 267.442 2.696 20 0 CFADRP C(CN1CCC([NH2+]C2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000372906220 381888458 /nfs/dbraw/zinc/88/84/58/381888458.db2.gz RTLGZIJQBRGEFJ-UHFFFAOYSA-N 2 0 293.499 2.859 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000349325659 381892048 /nfs/dbraw/zinc/89/20/48/381892048.db2.gz SKISTOJJLVPUIG-HUUCEWRRSA-N 2 0 295.515 2.673 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000362201162 381958884 /nfs/dbraw/zinc/95/88/84/381958884.db2.gz OBZAEBUYNXBUMS-UAGQMJEPSA-N 2 0 288.435 2.652 20 0 CFADRP c1cc2c(c(C[NH2+]CCCCC[NH+]3CCCC3)c1)OCO2 ZINC000292984010 381935592 /nfs/dbraw/zinc/93/55/92/381935592.db2.gz LLVGBMPCVVXSJC-UHFFFAOYSA-N 2 0 290.407 2.771 20 0 CFADRP CC1(C[NH+]2CCOCC2)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000373186193 381943602 /nfs/dbraw/zinc/94/36/02/381943602.db2.gz NUABITULMZVCNG-MRXNPFEDSA-N 2 0 278.440 2.529 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000186574337 381952322 /nfs/dbraw/zinc/95/23/22/381952322.db2.gz GJGHOMLDOQQIGC-NXHRZFHOSA-N 2 0 290.451 2.910 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(CC[NH+](C)C)CC2)CCO1 ZINC000357000418 381954262 /nfs/dbraw/zinc/95/42/62/381954262.db2.gz VYRJZONHEYHAJR-DLBZAZTESA-N 2 0 282.472 2.855 20 0 CFADRP Cc1cccc([C@@H]2CCCC[N@@H+]2CCOCC[NH3+])c1C ZINC000357069121 381996122 /nfs/dbraw/zinc/99/61/22/381996122.db2.gz HGKSSOOLINDNKW-KRWDZBQOSA-N 2 0 276.424 2.806 20 0 CFADRP Cc1ccncc1C1=CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000373410733 381998667 /nfs/dbraw/zinc/99/86/67/381998667.db2.gz AVJIZGRKOKFDRI-KRWDZBQOSA-N 2 0 285.435 2.963 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000357079910 382001971 /nfs/dbraw/zinc/00/19/71/382001971.db2.gz LSCKDMXVONPKBL-QGZVFWFLSA-N 2 0 287.407 2.670 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000357086018 382002899 /nfs/dbraw/zinc/00/28/99/382002899.db2.gz RCAHQXVOSUBKFO-MRXNPFEDSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCOCC[NH3+] ZINC000357032681 381977550 /nfs/dbraw/zinc/97/75/50/381977550.db2.gz RRWACIBXSAYHKZ-JTQLQIEISA-N 2 0 291.222 2.962 20 0 CFADRP c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357051413 381988898 /nfs/dbraw/zinc/98/88/98/381988898.db2.gz NDIDWHNFSYDSIL-ZIAGYGMSSA-N 2 0 272.417 2.943 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCOc3ccccc3)C2)C1 ZINC000293115198 381994253 /nfs/dbraw/zinc/99/42/53/381994253.db2.gz YSEKUUNNHWVKPY-GOSISDBHSA-N 2 0 288.435 2.873 20 0 CFADRP CC[N@H+](CCOCC[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000357066787 381994677 /nfs/dbraw/zinc/99/46/77/381994677.db2.gz CEOORLZTQTXICM-CYBMUJFWSA-N 2 0 276.380 2.791 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCOC(C)(C)C)CC2)C1CC1 ZINC000374295859 382041999 /nfs/dbraw/zinc/04/19/99/382041999.db2.gz LOZOUFVOKFFJJR-HNNXBMFYSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374374033 382045197 /nfs/dbraw/zinc/04/51/97/382045197.db2.gz KSTVZFKJRBNHHW-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374430295 382045380 /nfs/dbraw/zinc/04/53/80/382045380.db2.gz RXWDBPVSKYTTPH-RCCFBDPRSA-N 2 0 288.435 2.679 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000300011790 382057148 /nfs/dbraw/zinc/05/71/48/382057148.db2.gz ZKFFCFJTVRVVPL-BBWFWOEESA-N 2 0 292.467 2.942 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000374098888 382034985 /nfs/dbraw/zinc/03/49/85/382034985.db2.gz IAJKEKQDDMZVIR-MSOLQXFVSA-N 2 0 295.515 2.771 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CCC[NH+]2CCCC2)C[C@@H]1OC ZINC000344069463 382107310 /nfs/dbraw/zinc/10/73/10/382107310.db2.gz CHTUBHCLNAQPED-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375853873 382107790 /nfs/dbraw/zinc/10/77/90/382107790.db2.gz RILNSMOTMWQZCS-LZLYRXPVSA-N 2 0 287.451 2.715 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344081391 382116793 /nfs/dbraw/zinc/11/67/93/382116793.db2.gz ZXBAFYFEDDDEJC-KRWDZBQOSA-N 2 0 291.483 2.871 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000344082316 382117031 /nfs/dbraw/zinc/11/70/31/382117031.db2.gz OVMDGDZXZXLPNN-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP COc1ccccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000375507862 382089013 /nfs/dbraw/zinc/08/90/13/382089013.db2.gz IDBYHHWIBFZGLK-UHFFFAOYSA-N 2 0 274.408 2.755 20 0 CFADRP Cc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C)s1 ZINC000344047129 382090670 /nfs/dbraw/zinc/09/06/70/382090670.db2.gz YLWQGPIFRIWYFK-UHFFFAOYSA-N 2 0 297.512 2.680 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2c(F)ccc(O)c2F)CC1 ZINC000293492337 382145057 /nfs/dbraw/zinc/14/50/57/382145057.db2.gz ATBHRNYCLVERPY-UHFFFAOYSA-N 2 0 298.377 2.882 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000352040137 382145262 /nfs/dbraw/zinc/14/52/62/382145262.db2.gz MJYIBTIQRMQKTI-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000352053985 382151606 /nfs/dbraw/zinc/15/16/06/382151606.db2.gz XZYMJXAZDJFNOK-JKSUJKDBSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000344211720 382201769 /nfs/dbraw/zinc/20/17/69/382201769.db2.gz DVOKEFZKPDFFSR-CRYBEJKASA-N 2 0 258.409 2.646 20 0 CFADRP CCN1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000344218660 382205399 /nfs/dbraw/zinc/20/53/99/382205399.db2.gz MRWAYMPIHQFFHY-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP c1cncc(-c2c[nH+]ccc2N2CC[NH+](CC3CC3)CC2)c1 ZINC000377061817 382209392 /nfs/dbraw/zinc/20/93/92/382209392.db2.gz NTVSBDQJAMMWKL-UHFFFAOYSA-N 2 0 294.402 2.676 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000377077703 382211451 /nfs/dbraw/zinc/21/14/51/382211451.db2.gz LUPIPQSEXMSIRY-AQBKWJQSSA-N 2 0 280.456 2.793 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000377120536 382218996 /nfs/dbraw/zinc/21/89/96/382218996.db2.gz OZXOLFYITJHUJH-JGGQBBKZSA-N 2 0 287.407 2.519 20 0 CFADRP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c2cc(F)ccc21 ZINC000302231985 382223315 /nfs/dbraw/zinc/22/33/15/382223315.db2.gz CHYJZASCYCJFHG-UHFFFAOYSA-N 2 0 273.355 2.904 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000362978179 382224694 /nfs/dbraw/zinc/22/46/94/382224694.db2.gz XXGZSYGSSJANDV-VGWMRTNUSA-N 2 0 270.461 2.948 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000362978177 382224797 /nfs/dbraw/zinc/22/47/97/382224797.db2.gz XXGZSYGSSJANDV-JJXSEGSLSA-N 2 0 270.461 2.948 20 0 CFADRP C[C@@H](C[NH2+]CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000187612646 382226271 /nfs/dbraw/zinc/22/62/71/382226271.db2.gz QWDXYJIXAHWCIH-LBPRGKRZSA-N 2 0 254.805 2.985 20 0 CFADRP CN1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC000377195614 382234167 /nfs/dbraw/zinc/23/41/67/382234167.db2.gz KUNFBMHHRUEGFH-CCNLRDMRSA-N 2 0 299.462 2.510 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC1(C)C ZINC000419316477 382283825 /nfs/dbraw/zinc/28/38/25/382283825.db2.gz QHHWYCPFWYOLLV-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000680353627 542311006 /nfs/dbraw/zinc/31/10/06/542311006.db2.gz IXSONCJQVACUQC-CVEARBPZSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)C1CC[NH+](C)CC1 ZINC000680354902 542311115 /nfs/dbraw/zinc/31/11/15/542311115.db2.gz KIFCCFLOMRHVLU-HZMBPMFUSA-N 2 0 296.361 2.718 20 0 CFADRP C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)C1CC[NH+](C)CC1 ZINC000680354904 542311172 /nfs/dbraw/zinc/31/11/72/542311172.db2.gz KIFCCFLOMRHVLU-QMTHXVAHSA-N 2 0 296.361 2.718 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)C[NH+](C)C ZINC000293749618 382262800 /nfs/dbraw/zinc/26/28/00/382262800.db2.gz RGIQVHVLHHGGNV-OLZOCXBDSA-N 2 0 252.377 2.544 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cccc(F)c1 ZINC000187763582 382264536 /nfs/dbraw/zinc/26/45/36/382264536.db2.gz WAHVDUDRAXJVFA-MRXNPFEDSA-N 2 0 282.403 2.835 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000187777916 382266117 /nfs/dbraw/zinc/26/61/17/382266117.db2.gz QGNBPGVZASHWGZ-LSDHHAIUSA-N 2 0 290.455 2.948 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000293767953 382270712 /nfs/dbraw/zinc/27/07/12/382270712.db2.gz SMWWVLYXQYFAHO-DZGCQCFKSA-N 2 0 292.423 2.696 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420292290 382343911 /nfs/dbraw/zinc/34/39/11/382343911.db2.gz PCWFZZOZUZCSCT-GXTWGEPZSA-N 2 0 299.418 2.718 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1C1CCC1 ZINC000419374218 382302852 /nfs/dbraw/zinc/30/28/52/382302852.db2.gz OAPYLIZCNGYZPN-LSDHHAIUSA-N 2 0 268.470 2.688 20 0 CFADRP C[C@H](F)CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352402838 382309713 /nfs/dbraw/zinc/30/97/13/382309713.db2.gz QLGJVXJWWYDGIL-USXIJHARSA-N 2 0 276.399 2.798 20 0 CFADRP Cc1cc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000364346787 382313386 /nfs/dbraw/zinc/31/33/86/382313386.db2.gz CHYFHJGAXPNDAO-BBRMVZONSA-N 2 0 287.432 2.978 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000357842287 382345024 /nfs/dbraw/zinc/34/50/24/382345024.db2.gz AKJRCAHOCSMUCN-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1C ZINC000377755420 382335139 /nfs/dbraw/zinc/33/51/39/382335139.db2.gz GKPBZMVCKLUSRU-GXTWGEPZSA-N 2 0 285.391 2.935 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420294130 382345967 /nfs/dbraw/zinc/34/59/67/382345967.db2.gz AQKGRZUYPZDNNS-CVEARBPZSA-N 2 0 288.435 2.874 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420285129 382340407 /nfs/dbraw/zinc/34/04/07/382340407.db2.gz DUVQKHNZKFIWNF-UHFFFAOYSA-N 2 0 282.350 2.549 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000420288064 382341598 /nfs/dbraw/zinc/34/15/98/382341598.db2.gz IPDKSLTXQYNJMJ-GHMZBOCLSA-N 2 0 252.324 2.778 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000420288066 382342188 /nfs/dbraw/zinc/34/21/88/382342188.db2.gz IPDKSLTXQYNJMJ-QWRGUYRKSA-N 2 0 252.324 2.778 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000420287410 382342283 /nfs/dbraw/zinc/34/22/83/382342283.db2.gz GFOXOWLPEDHMSC-UHFFFAOYSA-N 2 0 287.329 2.532 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC000377778106 382343493 /nfs/dbraw/zinc/34/34/93/382343493.db2.gz OSCCNBPXZDITJZ-IFFAKLHKSA-N 2 0 286.419 2.513 20 0 CFADRP C[N@H+](CCCCc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420298630 382349112 /nfs/dbraw/zinc/34/91/12/382349112.db2.gz FLAIWDJTSHGVCS-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP Cc1ccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)s1 ZINC000420299852 382350302 /nfs/dbraw/zinc/35/03/02/382350302.db2.gz JPGGISKTRGQNQS-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420298427 382350389 /nfs/dbraw/zinc/35/03/89/382350389.db2.gz FGJJTDWHQJYUOX-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP CC[C@@H](C)C[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301535 382351364 /nfs/dbraw/zinc/35/13/64/382351364.db2.gz LKSGEVLOWKKSKF-UKRRQHHQSA-N 2 0 264.413 2.715 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000420300408 382351517 /nfs/dbraw/zinc/35/15/17/382351517.db2.gz KHHDLIMJZOTDAG-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1cc(C)on1)CCC2 ZINC000377818067 382351762 /nfs/dbraw/zinc/35/17/62/382351762.db2.gz XNCVWJPUSGJSMF-QWHCGFSZSA-N 2 0 274.368 2.716 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420299967 382352088 /nfs/dbraw/zinc/35/20/88/382352088.db2.gz GXGUSGFNQBTKLQ-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000420305623 382356435 /nfs/dbraw/zinc/35/64/35/382356435.db2.gz PRAANJHRWPYKEM-KCQAQPDRSA-N 2 0 294.464 2.563 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420306203 382356494 /nfs/dbraw/zinc/35/64/94/382356494.db2.gz ABLVNNJVJSOGGQ-QAPCUYQASA-N 2 0 287.451 2.889 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C1 ZINC000420305282 382356510 /nfs/dbraw/zinc/35/65/10/382356510.db2.gz PHAFBKSIJJYKGW-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390642 382396668 /nfs/dbraw/zinc/39/66/68/382396668.db2.gz ZPGCIZOFZBDSOY-FHLIZLRMSA-N 2 0 288.435 2.966 20 0 CFADRP CC(C)C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCC1 ZINC000303376580 382358036 /nfs/dbraw/zinc/35/80/36/382358036.db2.gz ORNOUQSCVHLLIO-INIZCTEOSA-N 2 0 294.487 2.753 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000420308880 382358883 /nfs/dbraw/zinc/35/88/83/382358883.db2.gz KSVNQHMNDUQJOC-YPMHNXCESA-N 2 0 267.442 2.662 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420316538 382363823 /nfs/dbraw/zinc/36/38/23/382363823.db2.gz YIIYUEITFBLVOJ-RBOXIYTFSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420318373 382363842 /nfs/dbraw/zinc/36/38/42/382363842.db2.gz OPDCXWGNYGIQEC-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP c1csc([C@@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420316840 382364427 /nfs/dbraw/zinc/36/44/27/382364427.db2.gz MKJZAUJCSBEMBU-STQMWFEESA-N 2 0 265.426 2.670 20 0 CFADRP CCOc1ccccc1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420317687 382364546 /nfs/dbraw/zinc/36/45/46/382364546.db2.gz NSMXEOMEPUUTSF-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420320510 382365858 /nfs/dbraw/zinc/36/58/58/382365858.db2.gz QKTQIOWLSYIJJN-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000352496460 382366785 /nfs/dbraw/zinc/36/67/85/382366785.db2.gz WIVVWEGKYKPVRR-SFHVURJKSA-N 2 0 290.451 2.839 20 0 CFADRP C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)CC1CCOCC1 ZINC000420321484 382367124 /nfs/dbraw/zinc/36/71/24/382367124.db2.gz VICLIKZIMQGJBH-SFHVURJKSA-N 2 0 294.483 2.905 20 0 CFADRP Fc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420325721 382370611 /nfs/dbraw/zinc/37/06/11/382370611.db2.gz WTBRWNPCGXWJCL-RHSMWYFYSA-N 2 0 292.398 2.589 20 0 CFADRP c1csc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420327797 382370623 /nfs/dbraw/zinc/37/06/23/382370623.db2.gz YTPLGKHSLLBKMH-CHWSQXEVSA-N 2 0 250.411 2.885 20 0 CFADRP COCCCC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420327322 382370739 /nfs/dbraw/zinc/37/07/39/382370739.db2.gz YHGRRAGPRJWRPB-KRWDZBQOSA-N 2 0 290.451 2.915 20 0 CFADRP CC(C)COC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420326794 382371214 /nfs/dbraw/zinc/37/12/14/382371214.db2.gz XTHZUFFUCQCJPF-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343159 382376923 /nfs/dbraw/zinc/37/69/23/382376923.db2.gz RHEOEVMCINRTCS-HDICACEKSA-N 2 0 272.436 2.859 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420353709 382378599 /nfs/dbraw/zinc/37/85/99/382378599.db2.gz BXMMVGVWPDERIO-SFHVURJKSA-N 3 0 295.515 2.820 20 0 CFADRP c1cncc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420352300 382379071 /nfs/dbraw/zinc/37/90/71/382379071.db2.gz ABDIDJQQCVYPBO-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP CC(C)N(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000352524249 382379811 /nfs/dbraw/zinc/37/98/11/382379811.db2.gz AUNGUUYRMBDLMN-MRXNPFEDSA-N 2 0 290.455 2.630 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000420357298 382380798 /nfs/dbraw/zinc/38/07/98/382380798.db2.gz HDCXTAXFMWWQNQ-HNNXBMFYSA-N 2 0 264.388 2.736 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420360612 382383712 /nfs/dbraw/zinc/38/37/12/382383712.db2.gz GLWBYKRVKLONEC-SFHVURJKSA-N 2 0 288.435 2.703 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccccc3)s2)CCO1 ZINC000357945317 382384535 /nfs/dbraw/zinc/38/45/35/382384535.db2.gz OGVHEBIMLNFVBH-CQSZACIVSA-N 2 0 288.416 2.575 20 0 CFADRP Fc1ccc(/C=C/CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352540268 382385693 /nfs/dbraw/zinc/38/56/93/382385693.db2.gz IYGIWXWTYSGOMW-XKKXFUJGSA-N 2 0 274.383 2.914 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541378 382388604 /nfs/dbraw/zinc/38/86/04/382388604.db2.gz XEBLBOYJLOJNMO-OWCLPIDISA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420369282 382388814 /nfs/dbraw/zinc/38/88/14/382388814.db2.gz IQLBEJXCEFQZSE-HNNXBMFYSA-N 2 0 258.409 2.661 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420376436 382392324 /nfs/dbraw/zinc/39/23/24/382392324.db2.gz JVQKBDMNELRXOT-HOCLYGCPSA-N 2 0 276.424 2.545 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000420297408 382347137 /nfs/dbraw/zinc/34/71/37/382347137.db2.gz DFSZYBYDOUZDOL-QGZVFWFLSA-N 2 0 284.403 2.870 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000357846462 382347171 /nfs/dbraw/zinc/34/71/71/382347171.db2.gz CKCZZBFJYDNNRV-XUWVNRHRSA-N 2 0 268.445 2.510 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000420296363 382347415 /nfs/dbraw/zinc/34/74/15/382347415.db2.gz BOLORRICDLUZPH-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000420296466 382347586 /nfs/dbraw/zinc/34/75/86/382347586.db2.gz DQJWCBBQSSVLDC-RYRKJORJSA-N 2 0 288.435 2.756 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000377796729 382347885 /nfs/dbraw/zinc/34/78/85/382347885.db2.gz SUNHBBSKDHCPHR-MSOLQXFVSA-N 2 0 288.435 2.981 20 0 CFADRP Cc1cccnc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365633318 382426935 /nfs/dbraw/zinc/42/69/35/382426935.db2.gz UZQQKXQMLFGPBJ-AWEZNQCLSA-N 2 0 270.380 2.503 20 0 CFADRP COc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc(Cl)c1OC ZINC000346636667 382448313 /nfs/dbraw/zinc/44/83/13/382448313.db2.gz HVLNMVQYRXQFGW-JQWIXIFHSA-N 2 0 298.814 2.526 20 0 CFADRP CCCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000346610893 382436419 /nfs/dbraw/zinc/43/64/19/382436419.db2.gz FCOLOTUPQNTXHS-UHFFFAOYSA-N 2 0 292.423 2.655 20 0 CFADRP Cc1cccc([C@H]([NH2+]CCOCC[NH3+])C(C)(C)C)c1 ZINC000420404614 382400272 /nfs/dbraw/zinc/40/02/72/382400272.db2.gz MJYZNNYBFCVVQR-HNNXBMFYSA-N 2 0 264.413 2.647 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000420411647 382401106 /nfs/dbraw/zinc/40/11/06/382401106.db2.gz RYKXAIBIIDIGIP-HOCLYGCPSA-N 2 0 276.424 2.906 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352671223 382446388 /nfs/dbraw/zinc/44/63/88/382446388.db2.gz HYNWDUDXNDAOFY-IRXDYDNUSA-N 2 0 285.391 2.526 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420408917 382401587 /nfs/dbraw/zinc/40/15/87/382401587.db2.gz QCGQDJZZACOWHE-MNOVXSKESA-N 2 0 272.314 2.966 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000420416855 382403143 /nfs/dbraw/zinc/40/31/43/382403143.db2.gz VYTYEMGXFDYUDQ-SNVBAGLBSA-N 2 0 260.303 2.966 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420413163 382403937 /nfs/dbraw/zinc/40/39/37/382403937.db2.gz SSPNPIQXISXUNP-STQMWFEESA-N 2 0 294.443 2.958 20 0 CFADRP Cc1ccccc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000378182475 382413920 /nfs/dbraw/zinc/41/39/20/382413920.db2.gz IUDNYYFZQAYNRB-IRXDYDNUSA-N 2 0 258.409 2.911 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000352609578 382415773 /nfs/dbraw/zinc/41/57/73/382415773.db2.gz UUWQMJAYZFWJEU-IXDOHACOSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000365583811 382417611 /nfs/dbraw/zinc/41/76/11/382417611.db2.gz ZIMXIPYDATYINN-XJKSGUPXSA-N 2 0 287.432 2.978 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000358028763 382417746 /nfs/dbraw/zinc/41/77/46/382417746.db2.gz UMYIFBLASXPDHS-MRXNPFEDSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCOc2ccccc2)CC[N@@H+]1C ZINC000358031838 382418769 /nfs/dbraw/zinc/41/87/69/382418769.db2.gz ZMMPOSJRMUHRJW-JKSUJKDBSA-N 2 0 276.424 2.918 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000352784505 382471752 /nfs/dbraw/zinc/47/17/52/382471752.db2.gz VOZTZHWWDSGHJR-LSDHHAIUSA-N 2 0 297.418 2.618 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000352722204 382459456 /nfs/dbraw/zinc/45/94/56/382459456.db2.gz OANVWCMPFIEUEK-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346670105 382463740 /nfs/dbraw/zinc/46/37/40/382463740.db2.gz JNOAQWWHRLLDPL-XJKSGUPXSA-N 2 0 298.434 2.658 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(C)c1 ZINC000358132048 382463925 /nfs/dbraw/zinc/46/39/25/382463925.db2.gz CKWJMTVXVLHDGN-MRXNPFEDSA-N 2 0 261.413 2.878 20 0 CFADRP C[NH2+]CCN(C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346673611 382465268 /nfs/dbraw/zinc/46/52/68/382465268.db2.gz IHBQNXVFMQQWCD-UHFFFAOYSA-N 2 0 294.402 2.677 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000310409700 382493547 /nfs/dbraw/zinc/49/35/47/382493547.db2.gz ZHLYXIMQSGOVAQ-CYBMUJFWSA-N 2 0 260.372 2.743 20 0 CFADRP CC(C)COc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000346687998 382472772 /nfs/dbraw/zinc/47/27/72/382472772.db2.gz NJDUTQZUSJXFLJ-UHFFFAOYSA-N 2 0 276.424 2.892 20 0 CFADRP c1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)[C@@H]2CCOC2)cc1 ZINC000378501128 382474027 /nfs/dbraw/zinc/47/40/27/382474027.db2.gz MFHNHJSPZDKNBZ-QZTJIDSGSA-N 2 0 288.435 2.840 20 0 CFADRP c1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)[C@@H]2CCOC2)cc1 ZINC000378501127 382474188 /nfs/dbraw/zinc/47/41/88/382474188.db2.gz MFHNHJSPZDKNBZ-MSOLQXFVSA-N 2 0 288.435 2.840 20 0 CFADRP Cc1cccc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)n1 ZINC000366245663 382490022 /nfs/dbraw/zinc/49/00/22/382490022.db2.gz CEHLCJUYCAGXQW-UHFFFAOYSA-N 2 0 287.451 2.929 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@@H](C)C1 ZINC000358189519 382496888 /nfs/dbraw/zinc/49/68/88/382496888.db2.gz MXSJKXSYIFJTJZ-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381997397 382527637 /nfs/dbraw/zinc/52/76/37/382527637.db2.gz XXMGSBQOWDMKNQ-JHJVBQTASA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000310988115 382500024 /nfs/dbraw/zinc/50/00/24/382500024.db2.gz HFBOEBBAFPAUDV-QMTHXVAHSA-N 2 0 270.779 2.896 20 0 CFADRP Cc1[nH+]ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000310950467 382500749 /nfs/dbraw/zinc/50/07/49/382500749.db2.gz YSGPYLCJQSGBDD-LLVKDONJSA-N 2 0 265.788 2.940 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379651741 382506825 /nfs/dbraw/zinc/50/68/25/382506825.db2.gz VJIDULUGBIHMQN-AEFFLSMTSA-N 2 0 289.467 2.758 20 0 CFADRP CCCc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000311748900 382507144 /nfs/dbraw/zinc/50/71/44/382507144.db2.gz UOGQBBVEXPUYQZ-BETUJISGSA-N 2 0 279.453 2.527 20 0 CFADRP c1ccc(SCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311908744 382509000 /nfs/dbraw/zinc/50/90/00/382509000.db2.gz QVUADXYQUQTUOH-GASCZTMLSA-N 2 0 276.449 2.710 20 0 CFADRP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000312052469 382510247 /nfs/dbraw/zinc/51/02/47/382510247.db2.gz XPMRYJMTJCWHTH-BETUJISGSA-N 2 0 282.790 2.911 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421365661 382513934 /nfs/dbraw/zinc/51/39/34/382513934.db2.gz BNRLLBQJOUAROG-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP CN(C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C1CC1 ZINC000312338026 382514568 /nfs/dbraw/zinc/51/45/68/382514568.db2.gz IKMIWPGTRSVBQX-HOCLYGCPSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Cl ZINC000346840701 382538109 /nfs/dbraw/zinc/53/81/09/382538109.db2.gz GGXSLOFRTWITJS-KCQAQPDRSA-N 2 0 264.800 2.818 20 0 CFADRP c1ccc(C[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346841900 382538983 /nfs/dbraw/zinc/53/89/83/382538983.db2.gz HQIMSXIRGKZWEG-SJORKVTESA-N 2 0 258.409 2.551 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000383048284 382540434 /nfs/dbraw/zinc/54/04/34/382540434.db2.gz SFUNKPAPTNGKFO-CHWSQXEVSA-N 2 0 266.454 2.956 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]21 ZINC000346856407 382547700 /nfs/dbraw/zinc/54/77/00/382547700.db2.gz WDCHJOCNYYIICL-BHYGNILZSA-N 2 0 296.418 2.636 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(C)c2F)CC1 ZINC000384602834 382554982 /nfs/dbraw/zinc/55/49/82/382554982.db2.gz GAUYWBOPWSFAGO-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353525559 382557116 /nfs/dbraw/zinc/55/71/16/382557116.db2.gz HEWIYIKBFWHWDM-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000367165598 382560556 /nfs/dbraw/zinc/56/05/56/382560556.db2.gz VQZMTHXHOUBQPA-HZPDHXFCSA-N 2 0 266.429 2.506 20 0 CFADRP CSC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000367322883 382564011 /nfs/dbraw/zinc/56/40/11/382564011.db2.gz WSPPSMRGHRSHLS-CQSZACIVSA-N 2 0 268.470 2.832 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000385296134 382569580 /nfs/dbraw/zinc/56/95/80/382569580.db2.gz JGUYYWUFYMDPJJ-GNRIBBGQSA-N 2 0 256.459 2.768 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000385296136 382570043 /nfs/dbraw/zinc/57/00/43/382570043.db2.gz JGUYYWUFYMDPJJ-HHTDUIENSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000358254371 382529593 /nfs/dbraw/zinc/52/95/93/382529593.db2.gz QEKGEDXUUJEXMA-GXTWGEPZSA-N 2 0 282.815 2.649 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000358254372 382529714 /nfs/dbraw/zinc/52/97/14/382529714.db2.gz QEKGEDXUUJEXMA-TZMCWYRMSA-N 2 0 282.815 2.649 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCOC2CCC2)CC1 ZINC000346827143 382531325 /nfs/dbraw/zinc/53/13/25/382531325.db2.gz OUUGAZWAGWHTKP-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1CN(CCC[NH2+][C@@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000189048994 382532805 /nfs/dbraw/zinc/53/28/05/382532805.db2.gz YSWFWEKHLSVVRA-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346831640 382533321 /nfs/dbraw/zinc/53/33/21/382533321.db2.gz QJJYCRVEZAQKSK-IACUBPJLSA-N 2 0 279.453 2.826 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346838311 382537861 /nfs/dbraw/zinc/53/78/61/382537861.db2.gz WXSSSBXFKOAJIB-HQBUCEQDSA-N 2 0 286.419 2.768 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cc(C)ccn2)CC[NH+](C)CC1 ZINC000353622215 382583619 /nfs/dbraw/zinc/58/36/19/382583619.db2.gz MDTDNZOSUBCQLF-CQSZACIVSA-N 2 0 293.480 2.868 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2nccs2)CC[NH+](C)CC1 ZINC000353626873 382584688 /nfs/dbraw/zinc/58/46/88/382584688.db2.gz JFCCSROTFHMIGH-NSHDSACASA-N 2 0 285.482 2.621 20 0 CFADRP c1cncc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000358362164 382587506 /nfs/dbraw/zinc/58/75/06/382587506.db2.gz DQHYNLTWAKCGPH-GVDBMIGSSA-N 2 0 271.408 2.749 20 0 CFADRP COc1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(F)c1 ZINC000397241238 382632934 /nfs/dbraw/zinc/63/29/34/382632934.db2.gz LWDOCWHOZJHWQO-DYEKYZERSA-N 2 0 280.387 2.640 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cn[nH]c3)CC2)C1 ZINC000353651872 382596158 /nfs/dbraw/zinc/59/61/58/382596158.db2.gz UPPLKQRVIPVPGW-YOEHRIQHSA-N 2 0 290.455 2.585 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000387450710 382598680 /nfs/dbraw/zinc/59/86/80/382598680.db2.gz URHQFBRSXCQOHX-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000295261675 382601740 /nfs/dbraw/zinc/60/17/40/382601740.db2.gz UZUYRGWNVIKADW-VXGBXAGGSA-N 2 0 270.367 2.998 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000388053401 382602607 /nfs/dbraw/zinc/60/26/07/382602607.db2.gz SBIUDNGBCYVPSU-KGLIPLIRSA-N 2 0 259.397 2.686 20 0 CFADRP COc1cccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000388579542 382608532 /nfs/dbraw/zinc/60/85/32/382608532.db2.gz AFFZZCJAWYALMW-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000389929463 382616685 /nfs/dbraw/zinc/61/66/85/382616685.db2.gz YYGIIOZGVHWZHB-OIISXLGYSA-N 2 0 276.424 2.841 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000389934593 382616840 /nfs/dbraw/zinc/61/68/40/382616840.db2.gz LHPUKHFHTUHUTQ-NUJGCVRESA-N 2 0 290.451 2.960 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]CCC1CCOCC1 ZINC000395639744 382630305 /nfs/dbraw/zinc/63/03/05/382630305.db2.gz JYNBJOWIRQLWOU-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367638662 382579299 /nfs/dbraw/zinc/57/92/99/382579299.db2.gz POMSNYUQIMKVJQ-KSZLIROESA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000386074757 382582428 /nfs/dbraw/zinc/58/24/28/382582428.db2.gz FYWNJDWEZDNNMM-IAOVAPTHSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386134750 382583539 /nfs/dbraw/zinc/58/35/39/382583539.db2.gz PMMOTNKTKFMUAH-NVXWUHKLSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CN1Cc1ccccc1 ZINC000189794919 382641030 /nfs/dbraw/zinc/64/10/30/382641030.db2.gz JNZRMGJGONAREA-DKIMLUQUSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3nccn32)CCS1 ZINC000190696192 382678046 /nfs/dbraw/zinc/67/80/46/382678046.db2.gz WCMURKFAILIDMD-GFCCVEGCSA-N 2 0 261.394 2.662 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000191029401 382688875 /nfs/dbraw/zinc/68/88/75/382688875.db2.gz VBFVFMCFSFVJIO-SFHVURJKSA-N 2 0 296.499 2.981 20 0 CFADRP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000399121969 382637828 /nfs/dbraw/zinc/63/78/28/382637828.db2.gz LHIVTAPXWFQGMJ-DYVFJYSZSA-N 2 0 258.409 2.953 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN2C)cnn1C(C)C ZINC000191212274 382695741 /nfs/dbraw/zinc/69/57/41/382695741.db2.gz LRPGYDUOCTUMBE-JSGCOSHPSA-N 2 0 264.417 2.517 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000336848598 382734802 /nfs/dbraw/zinc/73/48/02/382734802.db2.gz LJOKBWMVZHHFOK-HIFRSBDPSA-N 2 0 294.439 2.942 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)N(C)Cc1ccccc1 ZINC000192575253 382710277 /nfs/dbraw/zinc/71/02/77/382710277.db2.gz IGVYLYBJOYMLGT-INMHGKMJSA-N 2 0 276.424 2.522 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193080960 382715456 /nfs/dbraw/zinc/71/54/56/382715456.db2.gz RKOIFMRCRNPEJU-QGZVFWFLSA-N 2 0 298.471 2.583 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1 ZINC000575051845 382725023 /nfs/dbraw/zinc/72/50/23/382725023.db2.gz NSZMSCZTDCYSHC-OWCLPIDISA-N 2 0 273.424 2.743 20 0 CFADRP CC(C)c1nc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c2ccccn21 ZINC000575129100 382728303 /nfs/dbraw/zinc/72/83/03/382728303.db2.gz AFKZVJFRZGDMLA-WMLDXEAASA-N 2 0 298.434 2.594 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000575137244 382728527 /nfs/dbraw/zinc/72/85/27/382728527.db2.gz WUEXORHLUIPJMS-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP C[NH+](C)CCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000575180325 382730239 /nfs/dbraw/zinc/73/02/39/382730239.db2.gz OBYZOQZZZJPGBF-INIZCTEOSA-N 2 0 278.465 2.946 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000193990096 382731811 /nfs/dbraw/zinc/73/18/11/382731811.db2.gz ZRYOTAJGHKSUOR-YLFCFFPRSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000336845813 382733806 /nfs/dbraw/zinc/73/38/06/382733806.db2.gz FJEXNDVIOPQZQL-IRXDYDNUSA-N 2 0 292.471 2.619 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc21 ZINC000337132594 382765315 /nfs/dbraw/zinc/76/53/15/382765315.db2.gz KJOCBURLBZFTRG-GJZGRUSLSA-N 2 0 299.418 2.895 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000575522455 382773369 /nfs/dbraw/zinc/77/33/69/382773369.db2.gz QKYPMEWJLBPCCP-SQWLQELKSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000211105945 382774765 /nfs/dbraw/zinc/77/47/65/382774765.db2.gz JBGPEQUAPVBVGR-UHFFFAOYSA-N 2 0 252.324 2.791 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337290235 382795072 /nfs/dbraw/zinc/79/50/72/382795072.db2.gz LYJBTCAQPXEAMW-JKSUJKDBSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCCCCOc3ccccc3)C[C@@H]2C1 ZINC000194542670 382747684 /nfs/dbraw/zinc/74/76/84/382747684.db2.gz XKRBJQBVQYGJHF-CALCHBBNSA-N 2 0 288.435 2.729 20 0 CFADRP Cc1ccc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc2n1 ZINC000194540264 382747751 /nfs/dbraw/zinc/74/77/51/382747751.db2.gz YKUPORFWEIEUIM-CALCHBBNSA-N 2 0 281.403 2.537 20 0 CFADRP C[C@@H](CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000194542638 382747885 /nfs/dbraw/zinc/74/78/85/382747885.db2.gz WIGLRHAUWLSLNQ-BHYGNILZSA-N 2 0 258.409 2.674 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228288173 382846127 /nfs/dbraw/zinc/84/61/27/382846127.db2.gz LUTORWNIHBVZDY-YPMHNXCESA-N 2 0 258.365 2.910 20 0 CFADRP Cc1cnc(C)nc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000577231098 382852563 /nfs/dbraw/zinc/85/25/63/382852563.db2.gz GCFWZWZSIBDRGV-GDBMZVCRSA-N 2 0 286.423 2.547 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(F)c3F)C[C@H]21 ZINC000228475641 382846938 /nfs/dbraw/zinc/84/69/38/382846938.db2.gz BRJGZHRWIYKAFY-MPKXVKKWSA-N 2 0 266.335 2.524 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3Cl)C[C@H]21 ZINC000228475694 382847025 /nfs/dbraw/zinc/84/70/25/382847025.db2.gz OXDRUHVLLPYKHL-GZBFAFLISA-N 2 0 294.826 2.778 20 0 CFADRP CC(C)(C)c1nc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000228476441 382847206 /nfs/dbraw/zinc/84/72/06/382847206.db2.gz AFVVKJWOEMJRDJ-IACUBPJLSA-N 2 0 293.480 3.000 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)n1 ZINC000577124162 382848723 /nfs/dbraw/zinc/84/87/23/382848723.db2.gz IHMYHAPSJQUKJB-JKSUJKDBSA-N 2 0 278.444 2.741 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)n1 ZINC000577124161 382849082 /nfs/dbraw/zinc/84/90/82/382849082.db2.gz IHMYHAPSJQUKJB-HZPDHXFCSA-N 2 0 278.444 2.741 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)COC(C)C)CC1 ZINC000337322945 382801401 /nfs/dbraw/zinc/80/14/01/382801401.db2.gz AEKNRHVTYRAJNQ-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000229067321 382850227 /nfs/dbraw/zinc/85/02/27/382850227.db2.gz PKDADSZNKAPJJC-RISCZKNCSA-N 2 0 250.361 2.551 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337345507 382807150 /nfs/dbraw/zinc/80/71/50/382807150.db2.gz VFSCKGVDUPIAFJ-SJORKVTESA-N 2 0 288.435 2.974 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337374007 382811010 /nfs/dbraw/zinc/81/10/10/382811010.db2.gz FLZJZMYPJNPBIW-USXIJHARSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2COCCN2)c(C)s1 ZINC000229198007 382850551 /nfs/dbraw/zinc/85/05/51/382850551.db2.gz DWYGOJYJNOKNJI-OSMZGAPFSA-N 2 0 282.453 2.783 20 0 CFADRP CCC[C@@H](C)[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000577184682 382850999 /nfs/dbraw/zinc/85/09/99/382850999.db2.gz RJNPRKCIZGQZBY-HIFRSBDPSA-N 2 0 270.461 2.636 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NCc1ccncc1OCc1ccccc1 ZINC000576386371 382820786 /nfs/dbraw/zinc/82/07/86/382820786.db2.gz JBPSLUCOAYNEMM-IRXDYDNUSA-N 2 0 297.402 2.630 20 0 CFADRP Cc1cc(F)cc2c1C[N@H+](CCCn1ccnc1)CC2 ZINC000337452293 382823413 /nfs/dbraw/zinc/82/34/13/382823413.db2.gz LGKLRQKCLRTWTJ-UHFFFAOYSA-N 2 0 273.355 2.779 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000337462995 382824980 /nfs/dbraw/zinc/82/49/80/382824980.db2.gz KXFXYOROUVROKG-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1nc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000226326189 382826656 /nfs/dbraw/zinc/82/66/56/382826656.db2.gz GSFPPBAGGGABHV-TZMCWYRMSA-N 2 0 281.469 2.894 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](CC2CC2)C2CCC2)CC1 ZINC000337480311 382828012 /nfs/dbraw/zinc/82/80/12/382828012.db2.gz VIMGPRUAVHYUCW-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCC[NH2+]C1 ZINC000226434951 382828490 /nfs/dbraw/zinc/82/84/90/382828490.db2.gz IJFIJTDVGZNNBV-AWEZNQCLSA-N 2 0 250.361 2.647 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226435230 382828495 /nfs/dbraw/zinc/82/84/95/382828495.db2.gz IPUDNLDALRYLTA-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226539008 382829502 /nfs/dbraw/zinc/82/95/02/382829502.db2.gz HSEAJGFUFYXWOF-UXIGCNINSA-N 2 0 250.361 2.946 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000337491720 382831094 /nfs/dbraw/zinc/83/10/94/382831094.db2.gz WRXAMQZFLJUSFW-FZKCQIBNSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)c2ccccc21 ZINC000576695445 382832445 /nfs/dbraw/zinc/83/24/45/382832445.db2.gz RZTNHLNPZJBXQT-CHWSQXEVSA-N 2 0 288.313 2.690 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227075212 382833076 /nfs/dbraw/zinc/83/30/76/382833076.db2.gz PWBATTBYXXZUTR-RDJZCZTQSA-N 2 0 276.424 2.741 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000337506600 382834081 /nfs/dbraw/zinc/83/40/81/382834081.db2.gz FYUGPCVDGKKYRR-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000227376640 382836839 /nfs/dbraw/zinc/83/68/39/382836839.db2.gz QLNCXBHZWDUABC-SMDDNHRTSA-N 2 0 288.395 2.550 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CO)c1 ZINC000227457513 382837224 /nfs/dbraw/zinc/83/72/24/382837224.db2.gz BRTWACGCLZHZBH-PBHICJAKSA-N 2 0 276.424 2.579 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000337538675 382838659 /nfs/dbraw/zinc/83/86/59/382838659.db2.gz ZTHIDXCPKZWBEK-AWEZNQCLSA-N 2 0 290.455 2.991 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414793256 532961316 /nfs/dbraw/zinc/96/13/16/532961316.db2.gz KAECGXUBPZKCKD-OCCSQVGLSA-N 2 0 250.411 2.626 20 0 CFADRP COCC(C)(C)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000494383435 382912368 /nfs/dbraw/zinc/91/23/68/382912368.db2.gz HEGVTYVBYRUJGJ-HNNXBMFYSA-N 2 0 270.461 2.761 20 0 CFADRP CC(C)[N@H+](C)CCCNCc1cc(F)cc(F)c1 ZINC000229803286 382853509 /nfs/dbraw/zinc/85/35/09/382853509.db2.gz HYHLPYLUKRHQFR-UHFFFAOYSA-N 2 0 256.340 2.785 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000577327992 382855123 /nfs/dbraw/zinc/85/51/23/382855123.db2.gz PEFQSKSLQMTCPA-OAGGEKHMSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577351796 382856304 /nfs/dbraw/zinc/85/63/04/382856304.db2.gz LREWMMIZVYZOAR-YRGRVCCFSA-N 2 0 252.427 2.657 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(N)c1 ZINC000230310315 382858952 /nfs/dbraw/zinc/85/89/52/382858952.db2.gz XUCPECGONLCCIZ-INIZCTEOSA-N 2 0 261.413 2.575 20 0 CFADRP OCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000577482202 382860255 /nfs/dbraw/zinc/86/02/55/382860255.db2.gz JZIAJJZCKHQAHQ-KZNAEPCWSA-N 2 0 288.435 2.579 20 0 CFADRP CC1CC[NH+](Cc2ccc(NC(=O)CCC[NH3+])cc2)CC1 ZINC000236713334 382910095 /nfs/dbraw/zinc/91/00/95/382910095.db2.gz UIEBCJUSUIUKCO-UHFFFAOYSA-N 2 0 289.423 2.596 20 0 CFADRP COC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578025696 382884910 /nfs/dbraw/zinc/88/49/10/382884910.db2.gz ASVHOLDHVODUAB-BPUTZDHNSA-N 2 0 296.842 2.930 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422878500 532960485 /nfs/dbraw/zinc/96/04/85/532960485.db2.gz KAZSONPVBZFIRV-WFASDCNBSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578132656 382893996 /nfs/dbraw/zinc/89/39/96/382893996.db2.gz QENZZWYMVINDPX-ZDUSSCGKSA-N 2 0 258.365 2.849 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338010090 382900002 /nfs/dbraw/zinc/90/00/02/382900002.db2.gz DNECWOCZQGKEIR-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)[C@H]1C ZINC000494914908 382941731 /nfs/dbraw/zinc/94/17/31/382941731.db2.gz MBDMPSJWJMDIFA-YCPHGPKFSA-N 2 0 276.424 2.761 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000442710345 382947258 /nfs/dbraw/zinc/94/72/58/382947258.db2.gz PUXNXCDVANMNHO-HIFPTAJRSA-N 2 0 272.383 2.884 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000578756820 382951293 /nfs/dbraw/zinc/95/12/93/382951293.db2.gz VIYUSURRRQFHHZ-NSHDSACASA-N 2 0 267.442 2.672 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422764506 532964333 /nfs/dbraw/zinc/96/43/33/532964333.db2.gz PTXFJFYNMSOFEG-ZJUUUORDSA-N 2 0 260.303 2.921 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000442764594 382953057 /nfs/dbraw/zinc/95/30/57/382953057.db2.gz CTNHLPXZRXQOGB-NEPJUHHUSA-N 2 0 289.354 2.650 20 0 CFADRP COC1([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000421865310 382953668 /nfs/dbraw/zinc/95/36/68/382953668.db2.gz ZLJDUGSMVSGULT-HNSVSWJLSA-N 2 0 280.456 2.939 20 0 CFADRP CCc1cccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442775191 382954483 /nfs/dbraw/zinc/95/44/83/382954483.db2.gz FKPHEPWVBBTPBY-SJPCQFCGSA-N 2 0 288.435 2.843 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000578867709 382961726 /nfs/dbraw/zinc/96/17/26/382961726.db2.gz ZFLBLNOBEXXOSE-CHWSQXEVSA-N 2 0 272.396 2.601 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](SCC3CC[NH2+]CC3)C2)cc1 ZINC000578864306 382962231 /nfs/dbraw/zinc/96/22/31/382962231.db2.gz CXQWQZOBHLBDPP-KRWDZBQOSA-N 2 0 290.476 2.994 20 0 CFADRP Cc1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000441486989 382917528 /nfs/dbraw/zinc/91/75/28/382917528.db2.gz NWKHRNZMSCYJJT-MRXNPFEDSA-N 2 0 273.424 2.698 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCCCC1 ZINC000442867211 382962720 /nfs/dbraw/zinc/96/27/20/382962720.db2.gz KTEACPFVHTYBOD-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP c1coc([C@@H]2C[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000578485523 382925197 /nfs/dbraw/zinc/92/51/97/382925197.db2.gz XWKLOJJZEXFHBT-HUUCEWRRSA-N 2 0 260.381 2.600 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[NH+](C)C ZINC000421804256 382928531 /nfs/dbraw/zinc/92/85/31/382928531.db2.gz TYJSGHVAPUQCJP-NSHDSACASA-N 2 0 272.795 2.951 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422759217 532963477 /nfs/dbraw/zinc/96/34/77/532963477.db2.gz KMZWXPPECBQJHI-KGLIPLIRSA-N 2 0 294.414 2.589 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000338281296 382974760 /nfs/dbraw/zinc/97/47/60/382974760.db2.gz CXLRBNXZKYWMKY-RDJZCZTQSA-N 2 0 284.488 2.885 20 0 CFADRP CCCC[N@H+](C)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422719843 382976000 /nfs/dbraw/zinc/97/60/00/382976000.db2.gz YMVUDZSTQGVNEJ-HOTGVXAUSA-N 2 0 269.477 2.619 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422729544 382976628 /nfs/dbraw/zinc/97/66/28/382976628.db2.gz KVUKDXAPWFBPJB-HUUCEWRRSA-N 2 0 250.361 2.618 20 0 CFADRP O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000237988831 382976695 /nfs/dbraw/zinc/97/66/95/382976695.db2.gz AGANZZFDAFTHCR-MRXNPFEDSA-N 2 0 297.358 2.955 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000422750221 382978348 /nfs/dbraw/zinc/97/83/48/382978348.db2.gz CLJRGCKNUDXDNF-GVDBMIGSSA-N 2 0 258.409 2.794 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H](C)CCC[NH3+])c(C)n1 ZINC000423022083 383016653 /nfs/dbraw/zinc/01/66/53/383016653.db2.gz HBXMIJDRSFAWNF-CYBMUJFWSA-N 2 0 266.433 2.599 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423021754 383016731 /nfs/dbraw/zinc/01/67/31/383016731.db2.gz CTIQTRZHOVABFZ-ONZSMEHFSA-N 2 0 292.398 2.774 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422782741 382979645 /nfs/dbraw/zinc/97/96/45/382979645.db2.gz MBIGUMLCEWTDLD-BZSNNMDCSA-N 2 0 289.467 2.705 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422814356 382981325 /nfs/dbraw/zinc/98/13/25/382981325.db2.gz UMIXPYRGBGVVRD-RBSFLKMASA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422829342 382982006 /nfs/dbraw/zinc/98/20/06/382982006.db2.gz HHTJQAGWNBXXRA-RYRKJORJSA-N 2 0 287.451 2.620 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000422838246 382982106 /nfs/dbraw/zinc/98/21/06/382982106.db2.gz WUMQFARGAYSTNH-ZBFHGGJFSA-N 2 0 260.425 2.942 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422858068 382983285 /nfs/dbraw/zinc/98/32/85/382983285.db2.gz IEYAZQBPQGVTRK-XOKHGSTOSA-N 2 0 273.424 2.595 20 0 CFADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000422862526 382983825 /nfs/dbraw/zinc/98/38/25/382983825.db2.gz PYRYOQJQKFSROF-FSPWUOQZSA-N 2 0 285.435 2.738 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422855833 382984019 /nfs/dbraw/zinc/98/40/19/382984019.db2.gz FIKOVRLCEPUTMG-YJBOKZPZSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422884994 382985411 /nfs/dbraw/zinc/98/54/11/382985411.db2.gz SWUJWRFIYSYFPY-ZACQAIPSSA-N 3 0 281.488 2.891 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c2ccccc21 ZINC000422882806 382985439 /nfs/dbraw/zinc/98/54/39/382985439.db2.gz BAKPBPCCNSQREU-BIVLZKPYSA-N 2 0 272.392 2.678 20 0 CFADRP C1CCC([N@@H+]2CC[C@@H](N[C@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)C1 ZINC000422863523 382985613 /nfs/dbraw/zinc/98/56/13/382985613.db2.gz RTTBXTHVUYULAI-UBDQQSCGSA-N 2 0 291.483 2.514 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422882112 382985737 /nfs/dbraw/zinc/98/57/37/382985737.db2.gz PAKIYEKUINXFTI-IKGGRYGDSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422882646 382985765 /nfs/dbraw/zinc/98/57/65/382985765.db2.gz PIWNVTLNBAXRCA-XMTFNYHQSA-N 2 0 295.515 2.865 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422887758 382986646 /nfs/dbraw/zinc/98/66/46/382986646.db2.gz ZIKWUUVCMNSJIZ-DLBZAZTESA-N 3 0 281.488 2.748 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCC2(C)C)COC1 ZINC000579139387 382987918 /nfs/dbraw/zinc/98/79/18/382987918.db2.gz FWLNVLXBUMHYPY-OKILXGFUSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422913994 382988051 /nfs/dbraw/zinc/98/80/51/382988051.db2.gz ZPHAZZZICUDMBM-USXIJHARSA-N 2 0 258.409 2.966 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000422933055 382988419 /nfs/dbraw/zinc/98/84/19/382988419.db2.gz BDRZGUVVUXDBAE-WDMOLILDSA-N 2 0 266.360 2.755 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422931539 382988685 /nfs/dbraw/zinc/98/86/85/382988685.db2.gz XTSJOUYEFHCSBV-JKSUJKDBSA-N 2 0 258.409 2.869 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548880680 382989087 /nfs/dbraw/zinc/98/90/87/382989087.db2.gz ZQTNNLPPJBUPDQ-NXEZZACHSA-N 2 0 252.324 2.505 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccco1 ZINC000422970138 382989596 /nfs/dbraw/zinc/98/95/96/382989596.db2.gz FOROSZSYDXUBLR-OWCLPIDISA-N 2 0 293.455 2.912 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000422967610 382989739 /nfs/dbraw/zinc/98/97/39/382989739.db2.gz UIGOTUPOAYSQPH-PMPSAXMXSA-N 2 0 291.439 2.666 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422968658 382990067 /nfs/dbraw/zinc/99/00/67/382990067.db2.gz RSQPRXFZYGIVHK-MNOVXSKESA-N 2 0 253.390 2.502 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000548885312 382990503 /nfs/dbraw/zinc/99/05/03/382990503.db2.gz ULVUITNVCXDCIN-ILXRZTDVSA-N 2 0 256.409 2.836 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422973205 382991083 /nfs/dbraw/zinc/99/10/83/382991083.db2.gz NZUIDDNTSDTDLX-CYBMUJFWSA-N 2 0 277.412 2.620 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccco1 ZINC000422977135 382992296 /nfs/dbraw/zinc/99/22/96/382992296.db2.gz WFHGWGNSEDSLFH-BZUAXINKSA-N 2 0 293.455 2.640 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024154 383017527 /nfs/dbraw/zinc/01/75/27/383017527.db2.gz LCELMYXDNCCCMW-TUAOUCFPSA-N 2 0 299.821 2.773 20 0 CFADRP C[C@H]1C[N@H+](C[C@H](O)C[NH+]2C[C@@H](C)CC2(C)C)C(C)(C)C1 ZINC000447304418 382994683 /nfs/dbraw/zinc/99/46/83/382994683.db2.gz LMTGNCWAJFOVQZ-FICVDOATSA-N 2 0 282.472 2.588 20 0 CFADRP CC[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422981732 382995261 /nfs/dbraw/zinc/99/52/61/382995261.db2.gz PEVKARCEFVJSBO-SJORKVTESA-N 2 0 258.409 2.522 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422981403 382995594 /nfs/dbraw/zinc/99/55/94/382995594.db2.gz SOYQPULPAANIOA-NJAFHUGGSA-N 2 0 292.467 2.722 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C2CC3CC(C2)CC1C3 ZINC000422985029 382996778 /nfs/dbraw/zinc/99/67/78/382996778.db2.gz BTZFTGBGFSAGFY-HAGCJRIPSA-N 2 0 274.452 2.931 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)n1 ZINC000447555160 382997202 /nfs/dbraw/zinc/99/72/02/382997202.db2.gz CHNUKKPKFAVFLS-LBPRGKRZSA-N 2 0 288.439 2.618 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000447556316 382997210 /nfs/dbraw/zinc/99/72/10/382997210.db2.gz FSCLVCBDSQQUCO-DJIMGWMZSA-N 2 0 276.424 2.694 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000549040656 382997350 /nfs/dbraw/zinc/99/73/50/382997350.db2.gz LSWZAMIAMNZPCW-USXIJHARSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000422990604 382999095 /nfs/dbraw/zinc/99/90/95/382999095.db2.gz NWPCCOXZXCSWCE-DJIMGWMZSA-N 2 0 276.424 2.841 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCCC2)c2ccccc21 ZINC000423023556 383017832 /nfs/dbraw/zinc/01/78/32/383017832.db2.gz JYZXMDUCZIGOAD-IAOVAPTHSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000423024783 383017860 /nfs/dbraw/zinc/01/78/60/383017860.db2.gz MOVAIMXQRVZFRG-UONOGXRCSA-N 2 0 294.439 2.599 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422999428 383003053 /nfs/dbraw/zinc/00/30/53/383003053.db2.gz DYRRYPAURFFUDT-ZBFHGGJFSA-N 2 0 296.842 2.964 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000422996909 383003272 /nfs/dbraw/zinc/00/32/72/383003272.db2.gz AGPBAZJULBIJSF-GXTWGEPZSA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422999324 383003332 /nfs/dbraw/zinc/00/33/32/383003332.db2.gz SJIDQNAVISVUOK-LSDHHAIUSA-N 2 0 290.455 2.513 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423027661 383018171 /nfs/dbraw/zinc/01/81/71/383018171.db2.gz DWMWKJLXUYSKGU-GOEBONIOSA-N 2 0 279.403 2.877 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000423001346 383004529 /nfs/dbraw/zinc/00/45/29/383004529.db2.gz HYWKHIDCFWBVEP-UONOGXRCSA-N 2 0 282.815 2.968 20 0 CFADRP C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423000886 383004539 /nfs/dbraw/zinc/00/45/39/383004539.db2.gz WBLHWDNJJMKHJH-HOCLYGCPSA-N 2 0 258.409 2.739 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000579341952 383004913 /nfs/dbraw/zinc/00/49/13/383004913.db2.gz HMKOVWMLWIUHNB-MRXNPFEDSA-N 2 0 266.404 2.982 20 0 CFADRP Clc1ccc(COCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423002809 383005198 /nfs/dbraw/zinc/00/51/98/383005198.db2.gz JVPPIGWPTMQRHZ-XYPWUTKMSA-N 2 0 294.826 2.729 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423096085 532965930 /nfs/dbraw/zinc/96/59/30/532965930.db2.gz OAAJRUGIQRRHOS-KVQFHVITSA-N 2 0 268.351 2.926 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000423004047 383007222 /nfs/dbraw/zinc/00/72/22/383007222.db2.gz OFBOAMSDJHLWIX-JQHSSLGASA-N 2 0 288.435 2.886 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423006753 383008748 /nfs/dbraw/zinc/00/87/48/383008748.db2.gz WFXRUWWZJLAEOG-GHMZBOCLSA-N 2 0 270.804 2.954 20 0 CFADRP Cc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)nc(C2CC2)n1 ZINC000447807564 383009615 /nfs/dbraw/zinc/00/96/15/383009615.db2.gz QYBJFWXEIXRORN-CQSZACIVSA-N 2 0 288.439 2.617 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423012241 383009967 /nfs/dbraw/zinc/00/99/67/383009967.db2.gz CNUIPDPJZLYSJQ-ZHCJQAHYSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423013618 383011260 /nfs/dbraw/zinc/01/12/60/383011260.db2.gz GKZKUNAUKPHWKE-MSOLQXFVSA-N 2 0 298.434 2.704 20 0 CFADRP Cc1cc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)ccc1F ZINC000423013473 383011407 /nfs/dbraw/zinc/01/14/07/383011407.db2.gz MWOIWUOUSJODCO-MRXNPFEDSA-N 2 0 262.372 2.927 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423015509 383012494 /nfs/dbraw/zinc/01/24/94/383012494.db2.gz RHHMXCHXZGAOLE-KTFSGNIMSA-N 2 0 288.435 2.746 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423015056 383012547 /nfs/dbraw/zinc/01/25/47/383012547.db2.gz QIOALUJKUWRJJD-GJZGRUSLSA-N 2 0 286.423 2.709 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000423014974 383012974 /nfs/dbraw/zinc/01/29/74/383012974.db2.gz JREMBDFZXCRTEM-ZCDTZLGTSA-N 2 0 294.826 2.758 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423016760 383013025 /nfs/dbraw/zinc/01/30/25/383013025.db2.gz UNABQGBSHKUMBG-KGLIPLIRSA-N 2 0 258.475 2.873 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2ccccc21 ZINC000423015415 383013041 /nfs/dbraw/zinc/01/30/41/383013041.db2.gz KSXGHHCCQAAHJC-UUAJXVIYSA-N 2 0 284.403 2.678 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423016475 383013064 /nfs/dbraw/zinc/01/30/64/383013064.db2.gz SZTGVBCCPUIVMK-ZFWWWQNUSA-N 2 0 296.842 2.998 20 0 CFADRP CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423017244 383014379 /nfs/dbraw/zinc/01/43/79/383014379.db2.gz OEJLSDWFYHJIQN-JQWIXIFHSA-N 2 0 267.442 2.641 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000423019078 383015490 /nfs/dbraw/zinc/01/54/90/383015490.db2.gz TWNFUYBJOPXTTE-XHSDSOJGSA-N 2 0 294.826 2.902 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCCCC1 ZINC000423045960 383028516 /nfs/dbraw/zinc/02/85/16/383028516.db2.gz DMXSGOPMMXZHMQ-RRFJBIMHSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423046920 383028875 /nfs/dbraw/zinc/02/88/75/383028875.db2.gz GHKXWZHWOHRHFZ-LSDHHAIUSA-N 2 0 258.365 2.753 20 0 CFADRP C[C@@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245732344 383029335 /nfs/dbraw/zinc/02/93/35/383029335.db2.gz QKGVUALAOHDRCH-DDBAPUKQSA-N 2 0 288.435 2.543 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1(C)C ZINC000423048676 383030448 /nfs/dbraw/zinc/03/04/48/383030448.db2.gz JDLKUAHHGQBQBL-ZQDZILKHSA-N 2 0 268.445 2.828 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000423049630 383031160 /nfs/dbraw/zinc/03/11/60/383031160.db2.gz KAQVEDBPQAJTLC-XKQJLSEDSA-N 2 0 288.435 2.568 20 0 CFADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000550898170 383031214 /nfs/dbraw/zinc/03/12/14/383031214.db2.gz UKBXTRWLXSLJAU-QGZVFWFLSA-N 2 0 294.483 2.639 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423050749 383031289 /nfs/dbraw/zinc/03/12/89/383031289.db2.gz ZHRDZBLCIQJPSY-RISCZKNCSA-N 2 0 286.341 2.754 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423051506 383031699 /nfs/dbraw/zinc/03/16/99/383031699.db2.gz NPYVMPCWLUMXNL-LSDHHAIUSA-N 2 0 268.351 2.757 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423053524 383032412 /nfs/dbraw/zinc/03/24/12/383032412.db2.gz AMJUXHHCMPQEHV-KSZLIROESA-N 2 0 290.451 2.741 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000245754574 383032508 /nfs/dbraw/zinc/03/25/08/383032508.db2.gz UPMPZKGYYLQYJB-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)C(C)C)CC[NH2+]CC1 ZINC000423053247 383032970 /nfs/dbraw/zinc/03/29/70/383032970.db2.gz ACNUAYFSBKYPKU-AWEZNQCLSA-N 2 0 298.471 2.580 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423053526 383033116 /nfs/dbraw/zinc/03/31/16/383033116.db2.gz AMJUXHHCMPQEHV-SQNIBIBYSA-N 2 0 290.451 2.741 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423054530 383033408 /nfs/dbraw/zinc/03/34/08/383033408.db2.gz UVNWAXQZMQLKBL-XYPHTWIQSA-N 2 0 274.408 2.585 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423055408 383034828 /nfs/dbraw/zinc/03/48/28/383034828.db2.gz WHUJIKDIXKTJFD-LJISPDSOSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@]1(CN[C@@H]2CCC[C@H]2[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000423062382 383036764 /nfs/dbraw/zinc/03/67/64/383036764.db2.gz MVKLFDDBZMUTHI-KZNAEPCWSA-N 2 0 287.451 2.511 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423064779 383038780 /nfs/dbraw/zinc/03/87/80/383038780.db2.gz AIRFCKCHSULZQF-BZUAXINKSA-N 2 0 282.472 2.828 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccn1 ZINC000423064500 383038870 /nfs/dbraw/zinc/03/88/70/383038870.db2.gz RKGORLWZFBKNCG-TZMCWYRMSA-N 2 0 279.453 2.671 20 0 CFADRP COC1CCC(C)(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423090444 383041192 /nfs/dbraw/zinc/04/11/92/383041192.db2.gz XMRTXMOXIROCOJ-UHFFFAOYSA-N 2 0 268.445 2.689 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423116365 383042402 /nfs/dbraw/zinc/04/24/02/383042402.db2.gz POSBLTKLSDNMRK-BHDSKKPTSA-N 2 0 266.360 2.537 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423101854 383042806 /nfs/dbraw/zinc/04/28/06/383042806.db2.gz DHPPZEIJGBJGLV-WDEREUQCSA-N 2 0 264.335 2.697 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423109582 383042849 /nfs/dbraw/zinc/04/28/49/383042849.db2.gz NVILSNVIBNYHEY-JTQLQIEISA-N 2 0 252.324 2.826 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000423143734 383045226 /nfs/dbraw/zinc/04/52/26/383045226.db2.gz XSFHRIALOARCBT-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423142565 383045391 /nfs/dbraw/zinc/04/53/91/383045391.db2.gz AOGFNSPIWZENPS-ZOBUZTSGSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423146021 383045499 /nfs/dbraw/zinc/04/54/99/383045499.db2.gz NNUQNKPAYVZEFP-UVBJJODRSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000579710464 383045815 /nfs/dbraw/zinc/04/58/15/383045815.db2.gz IBPIZOLROTZNFC-BBRMVZONSA-N 2 0 289.423 2.909 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[C@@H]1C1CC1 ZINC000423167234 383046407 /nfs/dbraw/zinc/04/64/07/383046407.db2.gz DWSWWTIEMQOPSB-ADHGMGHFSA-N 2 0 292.467 2.559 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000423169168 383046531 /nfs/dbraw/zinc/04/65/31/383046531.db2.gz VOTKCLHDMLADSB-HZPDHXFCSA-N 2 0 274.408 2.928 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158799 383046590 /nfs/dbraw/zinc/04/65/90/383046590.db2.gz DJQKTBQDPVJANJ-DLBZAZTESA-N 3 0 273.424 2.595 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)CC(F)(F)F ZINC000423173803 383047625 /nfs/dbraw/zinc/04/76/25/383047625.db2.gz ACUHLNQOGIXLSN-SRVKXCTJSA-N 2 0 266.351 2.943 20 0 CFADRP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCC[NH3+])CCCO2 ZINC000423197589 383048763 /nfs/dbraw/zinc/04/87/63/383048763.db2.gz ZYJGCSQUURGOFB-ZDUSSCGKSA-N 2 0 268.788 2.801 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423198518 383049225 /nfs/dbraw/zinc/04/92/25/383049225.db2.gz GIJOZDROBGMPCV-LBPRGKRZSA-N 2 0 297.240 2.506 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000245933327 383049833 /nfs/dbraw/zinc/04/98/33/383049833.db2.gz IONNNUPXGVGGDB-CABCVRRESA-N 2 0 298.471 2.961 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245934465 383050088 /nfs/dbraw/zinc/05/00/88/383050088.db2.gz SXXUNWSZMUFAFN-VQHPVUNQSA-N 2 0 294.483 2.900 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423282715 383055420 /nfs/dbraw/zinc/05/54/20/383055420.db2.gz WUNCBSMJKBGLHF-AAEUAGOBSA-N 2 0 250.386 2.510 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283419 383055888 /nfs/dbraw/zinc/05/58/88/383055888.db2.gz WBRMNTVWGUVSPS-HLLBOEOZSA-N 2 0 281.488 2.617 20 0 CFADRP c1cncc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423272966 383055940 /nfs/dbraw/zinc/05/59/40/383055940.db2.gz KKGAHYAJZZQZDN-RHSMWYFYSA-N 2 0 273.424 2.902 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC[NH2+]CC1 ZINC000423319169 383057946 /nfs/dbraw/zinc/05/79/46/383057946.db2.gz DAOIIJJPNGDAKF-ARFHVFGLSA-N 2 0 280.456 2.561 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000579852773 383060017 /nfs/dbraw/zinc/06/00/17/383060017.db2.gz XVRKTXCSLISVKQ-CYBMUJFWSA-N 2 0 284.407 2.697 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)ccc1F ZINC000423359525 383063560 /nfs/dbraw/zinc/06/35/60/383063560.db2.gz KTQUSQOTZFWPLQ-WCQYABFASA-N 2 0 266.360 2.627 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC[NH2+]1 ZINC000423365844 383066248 /nfs/dbraw/zinc/06/62/48/383066248.db2.gz BZPLIPMGWHMYFH-ATLSCFEFSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000423365063 383066393 /nfs/dbraw/zinc/06/63/93/383066393.db2.gz CTPGKFQQJNIWOY-ZMYBRWDISA-N 2 0 297.446 2.912 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000579927115 383067045 /nfs/dbraw/zinc/06/70/45/383067045.db2.gz WNVPVMRNFGYGMI-UHFFFAOYSA-N 2 0 298.862 2.589 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370362 383069192 /nfs/dbraw/zinc/06/91/92/383069192.db2.gz FTDNNMDPZCFFBT-WBVHZDCISA-N 2 0 274.408 2.585 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423372861 383069712 /nfs/dbraw/zinc/06/97/12/383069712.db2.gz BLEOJTPQLMTRCS-LVQVYYBASA-N 2 0 292.467 2.702 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000246311123 383071294 /nfs/dbraw/zinc/07/12/94/383071294.db2.gz DRJHZZVOHNCBNT-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423379370 383073128 /nfs/dbraw/zinc/07/31/28/383073128.db2.gz XKLMKPKUAZPKOB-KFWWJZLASA-N 2 0 282.815 2.887 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C12CCCCC2 ZINC000423385497 383076083 /nfs/dbraw/zinc/07/60/83/383076083.db2.gz QUVJMLYURSJWOW-XUWVNRHRSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCS1 ZINC000423030171 383019682 /nfs/dbraw/zinc/01/96/82/383019682.db2.gz JKBXGIWOKNCGNB-BPUTZDHNSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423030226 383019873 /nfs/dbraw/zinc/01/98/73/383019873.db2.gz VSKVAPAESYDYMK-HZSPNIEDSA-N 2 0 256.434 2.687 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000423031084 383021209 /nfs/dbraw/zinc/02/12/09/383021209.db2.gz WNXKWEQYTZLJFT-OUCADQQQSA-N 2 0 280.387 2.873 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000423032603 383021317 /nfs/dbraw/zinc/02/13/17/383021317.db2.gz FSDDNFRIKVACIM-WZRBSPASSA-N 2 0 267.442 2.533 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000423034105 383022228 /nfs/dbraw/zinc/02/22/28/383022228.db2.gz XHZYCKYNDIINMQ-CYBMUJFWSA-N 2 0 298.377 2.688 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000423037236 383023432 /nfs/dbraw/zinc/02/34/32/383023432.db2.gz VXNGZYPTXKCEPK-XDNAFOTISA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000423039532 383024525 /nfs/dbraw/zinc/02/45/25/383024525.db2.gz QSYGMEJYCRKJRW-XJTKPRQNSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000423038239 383024632 /nfs/dbraw/zinc/02/46/32/383024632.db2.gz OCUPYIJLYBTCQA-RAIGVLPGSA-N 2 0 267.442 2.662 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000245705266 383024899 /nfs/dbraw/zinc/02/48/99/383024899.db2.gz YIIOQMWVGYQLPI-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423040721 383026054 /nfs/dbraw/zinc/02/60/54/383026054.db2.gz UXFNNZAOSKRPHK-RBSFLKMASA-N 2 0 254.418 2.585 20 0 CFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040477 383026433 /nfs/dbraw/zinc/02/64/33/383026433.db2.gz HGHIXENKNVZDJI-VPEURPPWSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423042302 383026461 /nfs/dbraw/zinc/02/64/61/383026461.db2.gz YZHSFGMOFXUEIO-YXAMBPQSSA-N 2 0 280.387 2.761 20 0 CFADRP c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc2c1C[NH2+]C2 ZINC000423386076 383077857 /nfs/dbraw/zinc/07/78/57/383077857.db2.gz LXINZZQLRVUKKP-KSZLIROESA-N 2 0 298.430 2.727 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000246912798 383120109 /nfs/dbraw/zinc/12/01/09/383120109.db2.gz FTQKUTDBQUYXTR-TTZDDIAXSA-N 2 0 294.414 2.911 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC000247115845 383145563 /nfs/dbraw/zinc/14/55/63/383145563.db2.gz AGNCBUYGKTZQAQ-HOCLYGCPSA-N 2 0 276.424 2.618 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000423496553 383121262 /nfs/dbraw/zinc/12/12/62/383121262.db2.gz WYWLNVWMMDUPGH-MVWJERBFSA-N 2 0 253.415 2.538 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000423496552 383121907 /nfs/dbraw/zinc/12/19/07/383121907.db2.gz WYWLNVWMMDUPGH-DLOVCJGASA-N 2 0 253.415 2.538 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000423499705 383122272 /nfs/dbraw/zinc/12/22/72/383122272.db2.gz IEHLWJOAHQGGCF-WPGHFRTFSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc2n(n1)CCC2 ZINC000423499902 383122330 /nfs/dbraw/zinc/12/23/30/383122330.db2.gz BQARYDQQQJICBN-RHSMWYFYSA-N 2 0 298.434 2.960 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000423497845 383122731 /nfs/dbraw/zinc/12/27/31/383122731.db2.gz HMKSIOLLHNCRJI-BZSNNMDCSA-N 3 0 287.451 2.683 20 0 CFADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000554089777 383124556 /nfs/dbraw/zinc/12/45/56/383124556.db2.gz HOJOQSXXHFTITC-OAHLLOKOSA-N 2 0 282.472 2.638 20 0 CFADRP COc1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1O ZINC000423504658 383125278 /nfs/dbraw/zinc/12/52/78/383125278.db2.gz NPZWLGWMBRIMJY-BXUZGUMPSA-N 2 0 278.396 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000246960602 383125697 /nfs/dbraw/zinc/12/56/97/383125697.db2.gz IVIYLTFZAFMUMG-WMLDXEAASA-N 2 0 294.414 2.915 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)[C@@H]1OC ZINC000423540558 383126390 /nfs/dbraw/zinc/12/63/90/383126390.db2.gz JVHXFEXAKNZACF-OIBBZDHESA-N 2 0 294.483 2.804 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000247127694 383146080 /nfs/dbraw/zinc/14/60/80/383146080.db2.gz RNRSYRQUHRAVOZ-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CN(CC[N@H+](C)[C@H]1C=CCCCCC1)C1CC[NH+](C)CC1 ZINC000339055087 383133488 /nfs/dbraw/zinc/13/34/88/383133488.db2.gz VGISBEUIIOXAFS-KRWDZBQOSA-N 2 0 293.499 2.833 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247055237 383137340 /nfs/dbraw/zinc/13/73/40/383137340.db2.gz PEVYIKFXXHPBLQ-YJBOKZPZSA-N 3 0 289.467 2.711 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339069700 383138828 /nfs/dbraw/zinc/13/88/28/383138828.db2.gz ZHASOZHCWZVNOX-VNQPRFMTSA-N 2 0 292.398 2.809 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000247084163 383141194 /nfs/dbraw/zinc/14/11/94/383141194.db2.gz PBHABCHQPWUHNG-ZIAGYGMSSA-N 2 0 290.407 2.798 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000247091704 383141547 /nfs/dbraw/zinc/14/15/47/383141547.db2.gz PLXKWIUAVGBSAO-QKPAOTATSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247085845 383141737 /nfs/dbraw/zinc/14/17/37/383141737.db2.gz RGNOTYNPPYNUAO-VGWMRTNUSA-N 2 0 270.461 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cccnc3o2)[C@H](C)C1 ZINC000449031378 383142529 /nfs/dbraw/zinc/14/25/29/383142529.db2.gz USXCKCHKYBLYSJ-CJNGLKHVSA-N 2 0 287.407 2.990 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423394260 383081177 /nfs/dbraw/zinc/08/11/77/383081177.db2.gz RWMNPWAUEWZGOQ-DLTLXFJOSA-N 2 0 276.424 2.775 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423394795 383081200 /nfs/dbraw/zinc/08/12/00/383081200.db2.gz SJWIOLNCGCUJEV-SDDRHHMPSA-N 2 0 279.453 2.813 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000423401746 383083095 /nfs/dbraw/zinc/08/30/95/383083095.db2.gz XGFHQKPKVHIQMT-QEJZJMRPSA-N 2 0 290.407 2.639 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423402156 383083284 /nfs/dbraw/zinc/08/32/84/383083284.db2.gz WHFSHFWLFJNMEM-JCGIZDLHSA-N 2 0 298.434 2.852 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1F ZINC000423399753 383083538 /nfs/dbraw/zinc/08/35/38/383083538.db2.gz UYHWNHJQRGATDB-AXFHLTTASA-N 2 0 254.324 2.885 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1(CC)CC ZINC000423399788 383083569 /nfs/dbraw/zinc/08/35/69/383083569.db2.gz VBYPTAGRMCCSDV-LJISPDSOSA-N 2 0 268.445 2.830 20 0 CFADRP COCC1(C[NH2+][C@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423402896 383084667 /nfs/dbraw/zinc/08/46/67/383084667.db2.gz HJASLMFEBGJZOG-QGZVFWFLSA-N 2 0 288.435 2.744 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000423405364 383085593 /nfs/dbraw/zinc/08/55/93/383085593.db2.gz TUNSKZPPNYHYQN-GUYCJALGSA-N 2 0 271.408 2.557 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423409356 383086258 /nfs/dbraw/zinc/08/62/58/383086258.db2.gz YUIKKUBRUKJMED-HFBAOOFYSA-N 2 0 262.372 2.791 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000423407245 383086574 /nfs/dbraw/zinc/08/65/74/383086574.db2.gz ZPABOKHTMUQABR-IKGGRYGDSA-N 2 0 258.409 2.867 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423408693 383087004 /nfs/dbraw/zinc/08/70/04/383087004.db2.gz XVJCMCWXRFUMRY-VFNXUKNFSA-N 2 0 280.456 2.844 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449030684 383143602 /nfs/dbraw/zinc/14/36/02/383143602.db2.gz SHPMZBHYQFVHGS-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC000423424176 383091851 /nfs/dbraw/zinc/09/18/51/383091851.db2.gz FLPZEXKJEFOJRW-JKEMJCCQSA-N 2 0 252.361 2.708 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423429738 383092549 /nfs/dbraw/zinc/09/25/49/383092549.db2.gz KKSXOEVRGXQSMN-WFASDCNBSA-N 2 0 290.386 2.745 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000423430265 383093494 /nfs/dbraw/zinc/09/34/94/383093494.db2.gz KUZJMVOUSGNZQF-JSGCOSHPSA-N 2 0 279.432 2.533 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000423430897 383093835 /nfs/dbraw/zinc/09/38/35/383093835.db2.gz UYTNWMQWPZRRTH-DRZSPHRISA-N 2 0 267.442 2.867 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CCC[C@@H]([C@H]3CCOC3)C2)[C@@H]1C1CC[NH2+]CC1 ZINC000423435599 383095218 /nfs/dbraw/zinc/09/52/18/383095218.db2.gz LFGPWBQKHYTAHA-RSJGLCBASA-N 2 0 292.467 2.559 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423440784 383097245 /nfs/dbraw/zinc/09/72/45/383097245.db2.gz OUABXRDWZSIVFT-VBNZEHGJSA-N 2 0 292.373 2.930 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423444000 383098033 /nfs/dbraw/zinc/09/80/33/383098033.db2.gz WCWBSAHHQQRLPW-MNOVXSKESA-N 2 0 255.793 2.903 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000423443574 383098228 /nfs/dbraw/zinc/09/82/28/383098228.db2.gz VWSOOTLIJIOIJD-QWRGUYRKSA-N 2 0 285.819 2.912 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1OC ZINC000423450308 383099835 /nfs/dbraw/zinc/09/98/35/383099835.db2.gz HGHQGKLTOGXVNB-STQMWFEESA-N 2 0 294.439 2.660 20 0 CFADRP COC1(CC[N@H+](C)C2CC[NH+](C(C)C)CC2)CCC1 ZINC000338956651 383099892 /nfs/dbraw/zinc/09/98/92/383099892.db2.gz ZIDPSELAEMCQON-UHFFFAOYSA-N 2 0 268.445 2.750 20 0 CFADRP c1ccc([C@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423451910 383100849 /nfs/dbraw/zinc/10/08/49/383100849.db2.gz HCMRKSIWHVTBJQ-UUAJXVIYSA-N 2 0 256.393 2.520 20 0 CFADRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000423453752 383101786 /nfs/dbraw/zinc/10/17/86/383101786.db2.gz YAPZCXHTYXLPFD-QJESEZNXSA-N 2 0 287.451 2.507 20 0 CFADRP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423453754 383102090 /nfs/dbraw/zinc/10/20/90/383102090.db2.gz YAPZCXHTYXLPFD-YECZKDOJSA-N 2 0 287.451 2.507 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423455665 383102265 /nfs/dbraw/zinc/10/22/65/383102265.db2.gz MXJGGRPUXADTJT-RWSFTLGLSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCC1 ZINC000246783142 383103529 /nfs/dbraw/zinc/10/35/29/383103529.db2.gz CHKGIQFZZFWQKS-QKPAOTATSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000423462375 383104013 /nfs/dbraw/zinc/10/40/13/383104013.db2.gz PAAOSDCIFKNZOA-YDHLFZDLSA-N 2 0 264.417 2.632 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423464040 383105341 /nfs/dbraw/zinc/10/53/41/383105341.db2.gz GKFPBWPHEUMKAW-HUBLWGQQSA-N 2 0 292.398 2.929 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000584463755 383105312 /nfs/dbraw/zinc/10/53/12/383105312.db2.gz OYAAEXQDAGXVPG-QGZVFWFLSA-N 2 0 260.425 2.987 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423466057 383105839 /nfs/dbraw/zinc/10/58/39/383105839.db2.gz SHIQDPGQCRMAJO-YRDMIACOSA-N 2 0 292.467 2.687 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246806555 383105919 /nfs/dbraw/zinc/10/59/19/383105919.db2.gz NCTIWMQISCTKFJ-DOTOQJQBSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423466821 383106106 /nfs/dbraw/zinc/10/61/06/383106106.db2.gz TYVKSXNZYUJFLT-SLEUVZQESA-N 2 0 250.361 2.994 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000423466543 383106452 /nfs/dbraw/zinc/10/64/52/383106452.db2.gz IFPZMMIFNASFAO-FVQBIDKESA-N 2 0 284.407 2.606 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423473895 383109532 /nfs/dbraw/zinc/10/95/32/383109532.db2.gz GYKFNTJZOWMYEW-AAEUAGOBSA-N 2 0 296.436 2.718 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423473488 383109632 /nfs/dbraw/zinc/10/96/32/383109632.db2.gz HGLCMFZVEIXLRK-RCCFBDPRSA-N 2 0 287.451 2.978 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423485453 383114914 /nfs/dbraw/zinc/11/49/14/383114914.db2.gz RQBRKZLEHDWNAX-ARFHVFGLSA-N 2 0 282.472 2.948 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC2(OC)CCC2)C1 ZINC000339008041 383118677 /nfs/dbraw/zinc/11/86/77/383118677.db2.gz DHEPAARPJHIDIS-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000519387746 383212565 /nfs/dbraw/zinc/21/25/65/383212565.db2.gz VJKVCQULGHPDDJ-INIZCTEOSA-N 2 0 296.430 2.774 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H](C)O1 ZINC000449181269 383182235 /nfs/dbraw/zinc/18/22/35/383182235.db2.gz GFWHEQNUUTWWNS-XJKCOSOUSA-N 2 0 266.429 2.549 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H](N3CCCC3)[C@H]2C)CCC1 ZINC000339197042 383182900 /nfs/dbraw/zinc/18/29/00/383182900.db2.gz FBOGTNPUXCKFIJ-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000517746833 383192494 /nfs/dbraw/zinc/19/24/94/383192494.db2.gz CLYZEEKYUKBFJG-SJORKVTESA-N 2 0 282.472 2.590 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000566610343 383193839 /nfs/dbraw/zinc/19/38/39/383193839.db2.gz DJWZRWARMYTUOE-FUHWJXTLSA-N 2 0 288.435 2.758 20 0 CFADRP CC(C)[N@H+](C)CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424162184 383194116 /nfs/dbraw/zinc/19/41/16/383194116.db2.gz WNUZKNZMCRSLAW-INIZCTEOSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000566665892 383198855 /nfs/dbraw/zinc/19/88/55/383198855.db2.gz HICAUPUQBLHEBG-JYJNAYRXSA-N 2 0 290.451 2.635 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)ccc3F)CC[C@H]21 ZINC000247939538 383200581 /nfs/dbraw/zinc/20/05/81/383200581.db2.gz CVFKHDFSZXGZGF-BLLLJJGKSA-N 2 0 280.362 2.881 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566689283 383201381 /nfs/dbraw/zinc/20/13/81/383201381.db2.gz QIHCWPFXFYKGCC-CHWSQXEVSA-N 2 0 268.401 2.907 20 0 CFADRP O[C@@H](C[NH2+][C@H](C1CCC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000424270482 383202821 /nfs/dbraw/zinc/20/28/21/383202821.db2.gz QOMGASMHXJNUPF-ROUUACIJSA-N 2 0 294.483 2.782 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)C1CCC1 ZINC000449080743 383166677 /nfs/dbraw/zinc/16/66/77/383166677.db2.gz YVVPCUGKLGABPC-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247402316 383169999 /nfs/dbraw/zinc/16/99/99/383169999.db2.gz XLWIRPVMOHUWNB-HLLBOEOZSA-N 2 0 260.425 2.856 20 0 CFADRP COCc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000520406385 383253764 /nfs/dbraw/zinc/25/37/64/383253764.db2.gz CHAMOFLAFWIUJO-UHFFFAOYSA-N 2 0 270.376 2.582 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000567234903 383254168 /nfs/dbraw/zinc/25/41/68/383254168.db2.gz QKODAVDJOWVMFS-VHSXEESVSA-N 2 0 294.349 2.570 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248552231 383258964 /nfs/dbraw/zinc/25/89/64/383258964.db2.gz JADVJZXNLNRVRS-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000567291378 383260331 /nfs/dbraw/zinc/26/03/31/383260331.db2.gz ZJZNFIBLQONDNE-JKSUJKDBSA-N 2 0 299.418 2.863 20 0 CFADRP c1cc(C[NH2+]CCCCn2ccnc2)n(-c2ccccc2)n1 ZINC000520562588 383263334 /nfs/dbraw/zinc/26/33/34/383263334.db2.gz FOZINEKOCZZDIF-UHFFFAOYSA-N 2 0 295.390 2.639 20 0 CFADRP CCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000449416678 383277855 /nfs/dbraw/zinc/27/78/55/383277855.db2.gz VAXOZURZCXIALC-UHFFFAOYSA-N 2 0 256.353 2.608 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1 ZINC000422753451 532976127 /nfs/dbraw/zinc/97/61/27/532976127.db2.gz IIMQUEOZOXQRCH-CRAIPNDOSA-N 2 0 284.403 2.614 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248154154 383216045 /nfs/dbraw/zinc/21/60/45/383216045.db2.gz RDAGQHJBXXQLEV-IRXDYDNUSA-N 2 0 258.409 2.911 20 0 CFADRP CC(C)Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339498974 383217093 /nfs/dbraw/zinc/21/70/93/383217093.db2.gz AQXACEWLQDRHEB-UHFFFAOYSA-N 2 0 292.471 2.895 20 0 CFADRP CCCn1cc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339499051 383217459 /nfs/dbraw/zinc/21/74/59/383217459.db2.gz BIAQHQCRYUTPIF-UHFFFAOYSA-N 2 0 278.444 2.649 20 0 CFADRP CC(C)n1cc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339498131 383217485 /nfs/dbraw/zinc/21/74/85/383217485.db2.gz PRTJKGYNIPQVNE-UHFFFAOYSA-N 2 0 278.444 2.820 20 0 CFADRP C(CC[NH2+]C1CCSCC1)CC[NH+]1CCCC1 ZINC000339499560 383217860 /nfs/dbraw/zinc/21/78/60/383217860.db2.gz PQQPZCNBKULJTD-UHFFFAOYSA-N 2 0 256.459 2.738 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2COc3cc(F)ccc3C2)CC1 ZINC000566864895 383220292 /nfs/dbraw/zinc/22/02/92/383220292.db2.gz PLTKFYOBMOZXDM-MRXNPFEDSA-N 2 0 292.398 2.593 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C(C)C)CC1 ZINC000339504989 383222079 /nfs/dbraw/zinc/22/20/79/383222079.db2.gz ZWBJHXLSWCTAHK-UHFFFAOYSA-N 2 0 270.380 2.854 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000249153556 383331283 /nfs/dbraw/zinc/33/12/83/383331283.db2.gz VPAJFYFTVSYZQW-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000634733447 383335267 /nfs/dbraw/zinc/33/52/67/383335267.db2.gz GBZLFCNOBINWLL-HNNXBMFYSA-N 2 0 298.434 2.740 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000634733085 383335390 /nfs/dbraw/zinc/33/53/90/383335390.db2.gz WYINOZBATVIUSF-MRXNPFEDSA-N 2 0 298.434 2.740 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733273 383335501 /nfs/dbraw/zinc/33/55/01/383335501.db2.gz BKRCZBYLGJKXPK-HOCLYGCPSA-N 2 0 290.451 2.994 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733490 383335513 /nfs/dbraw/zinc/33/55/13/383335513.db2.gz GWVOLZCXVWCQQM-INIZCTEOSA-N 2 0 275.440 2.690 20 0 CFADRP Cc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000339847388 383338805 /nfs/dbraw/zinc/33/88/05/383338805.db2.gz NWXWGQIWGBDBPG-SJORKVTESA-N 2 0 258.409 2.911 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000249298747 383339104 /nfs/dbraw/zinc/33/91/04/383339104.db2.gz FIOZEISVPSIBNI-YYIAUSFCSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000249380151 383342895 /nfs/dbraw/zinc/34/28/95/383342895.db2.gz POGAWRWXMAWKJD-KNCOVGOOSA-N 2 0 250.430 2.885 20 0 CFADRP OCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248731148 383284531 /nfs/dbraw/zinc/28/45/31/383284531.db2.gz LIOFOEKSBUKCQJ-BCDXTJNWSA-N 2 0 288.435 2.544 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CS1 ZINC000459729045 383295123 /nfs/dbraw/zinc/29/51/23/383295123.db2.gz DDKVDWKSNSCXLT-ZNMIVQPWSA-N 2 0 270.486 2.838 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC000459726009 383295129 /nfs/dbraw/zinc/29/51/29/383295129.db2.gz FWHJWLOACDRWSU-CQSZACIVSA-N 2 0 250.361 2.647 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000248832100 383295124 /nfs/dbraw/zinc/29/51/24/383295124.db2.gz FLPLXZOEQIMYPN-QZTJIDSGSA-N 2 0 286.419 2.791 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000249486941 383347303 /nfs/dbraw/zinc/34/73/03/383347303.db2.gz YLAXPISGWMLVKI-NVXWUHKLSA-N 2 0 260.425 2.797 20 0 CFADRP CCCCc1nc2ccccc2n1C[C@@H](O)C[N@H+](C)CC ZINC000521643710 383303744 /nfs/dbraw/zinc/30/37/44/383303744.db2.gz LSLPGAZMDLRDRT-AWEZNQCLSA-N 2 0 289.423 2.692 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000248903475 383306003 /nfs/dbraw/zinc/30/60/03/383306003.db2.gz ZPWDXZXZWSKZPY-INMHGKMJSA-N 2 0 294.483 2.902 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OC)cc2F)C1 ZINC000568030770 383347701 /nfs/dbraw/zinc/34/77/01/383347701.db2.gz DJNIYLOGZZBFGG-ZDUSSCGKSA-N 2 0 280.387 2.608 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCSCC1CC[NH2+]CC1 ZINC000567811266 383318929 /nfs/dbraw/zinc/31/89/29/383318929.db2.gz ZZLASWSPUDBFJJ-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634688430 383319880 /nfs/dbraw/zinc/31/98/80/383319880.db2.gz SDOAOQOZMHILSX-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4ncccc34)C[C@@H]21 ZINC000634687958 383320009 /nfs/dbraw/zinc/32/00/09/383320009.db2.gz DNZHGYBSZBJFPI-BHYGNILZSA-N 2 0 281.403 2.794 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC000249039794 383320444 /nfs/dbraw/zinc/32/04/44/383320444.db2.gz ULNAHJFQVPQOPR-SLUKUZTOSA-N 2 0 292.467 2.939 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC000634688359 383320474 /nfs/dbraw/zinc/32/04/74/383320474.db2.gz PTXGUZJHKIJDFV-OAHLLOKOSA-N 2 0 269.392 2.938 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000249052944 383322338 /nfs/dbraw/zinc/32/23/38/383322338.db2.gz IICVSSSEMJHCIO-SLTXQBBLSA-N 2 0 268.445 2.512 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000249062736 383323479 /nfs/dbraw/zinc/32/34/79/383323479.db2.gz JSUQJOVAABMEPT-NVXWUHKLSA-N 2 0 282.472 2.998 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000340240691 383388966 /nfs/dbraw/zinc/38/89/66/383388966.db2.gz VYATWEYACKDEOU-IRXDYDNUSA-N 2 0 294.483 2.926 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000251556080 383390025 /nfs/dbraw/zinc/39/00/25/383390025.db2.gz RJQWVIISDBERNW-QEJZJMRPSA-N 2 0 290.407 2.626 20 0 CFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC23CCC(CC2)C3)CC1 ZINC000450363457 383392860 /nfs/dbraw/zinc/39/28/60/383392860.db2.gz JHZJORLSPWJUIZ-KLHKWILBSA-N 2 0 294.483 2.591 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251671929 383393243 /nfs/dbraw/zinc/39/32/43/383393243.db2.gz HJXNRRUSUVEJLL-CZUORRHYSA-N 2 0 262.397 2.643 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000450391638 383393737 /nfs/dbraw/zinc/39/37/37/383393737.db2.gz NKNBGVBVVRUFRO-ZWKOTPCHSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000478917434 383398072 /nfs/dbraw/zinc/39/80/72/383398072.db2.gz LICFRFRDZIEKGQ-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000568412880 383401860 /nfs/dbraw/zinc/40/18/60/383401860.db2.gz MJROUJAERBMDRV-BBWFWOEESA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000340282765 383403069 /nfs/dbraw/zinc/40/30/69/383403069.db2.gz XTSVHIXQFPITTF-KRWDZBQOSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC000568474073 383405511 /nfs/dbraw/zinc/40/55/11/383405511.db2.gz UVNBQCNLBDRROA-SFHVURJKSA-N 2 0 291.483 2.587 20 0 CFADRP CC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000340290705 383407268 /nfs/dbraw/zinc/40/72/68/383407268.db2.gz ZDIMJDZOCPCNAF-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000249724729 383357313 /nfs/dbraw/zinc/35/73/13/383357313.db2.gz JCCNFQHTLTVZMZ-BFYDXBDKSA-N 2 0 260.425 2.856 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)CC ZINC000449639441 383358912 /nfs/dbraw/zinc/35/89/12/383358912.db2.gz OWVCMPKLUSAHCO-SJORKVTESA-N 2 0 282.472 2.923 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000468559355 383362249 /nfs/dbraw/zinc/36/22/49/383362249.db2.gz HNWJCWXAQMMBLC-JKSUJKDBSA-N 2 0 282.472 2.636 20 0 CFADRP Fc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000250070279 383370368 /nfs/dbraw/zinc/37/03/68/383370368.db2.gz NVYZBFXAQTZJRB-HOCLYGCPSA-N 2 0 289.398 2.669 20 0 CFADRP Fc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250105423 383370664 /nfs/dbraw/zinc/37/06/64/383370664.db2.gz DDNRPQRMLPLOEU-HOTGVXAUSA-N 2 0 262.372 2.585 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)CCc1ccccc1 ZINC000469996043 383374546 /nfs/dbraw/zinc/37/45/46/383374546.db2.gz IIIOYTGYLFQKQG-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCCC2 ZINC000250507776 383376972 /nfs/dbraw/zinc/37/69/72/383376972.db2.gz NALRRMWHDFNYIZ-LUKYLMHMSA-N 2 0 292.467 2.941 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COCC1CC1 ZINC000250806839 383380878 /nfs/dbraw/zinc/38/08/78/383380878.db2.gz COUQOXXLNLKRLW-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2SCCc3ccccc32)C1 ZINC000568247819 383381207 /nfs/dbraw/zinc/38/12/07/383381207.db2.gz YENZWRLZHNRWCE-IIAWOOMASA-N 2 0 276.449 2.877 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000340208716 383381990 /nfs/dbraw/zinc/38/19/90/383381990.db2.gz GGOYXKONLHMUOL-JYJNAYRXSA-N 2 0 298.471 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCc1c[nH]c2ncccc12)[C@H]1CCCC[NH2+]1 ZINC000568252761 383382641 /nfs/dbraw/zinc/38/26/41/383382641.db2.gz REXYQCQUMOZMNF-HZPDHXFCSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@@H]1CCN(CC[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000524771346 383384387 /nfs/dbraw/zinc/38/43/87/383384387.db2.gz HQDLKTJDCMBGKS-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)CN1CC[NH+](C)CC1 ZINC000340227737 383385244 /nfs/dbraw/zinc/38/52/44/383385244.db2.gz BRPWFRIWCBYWGM-IRXDYDNUSA-N 2 0 293.499 2.572 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000251351450 383387652 /nfs/dbraw/zinc/38/76/52/383387652.db2.gz SLUYGGBIOSTHSX-TVFCKZIOSA-N 2 0 293.499 2.617 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674128 383425702 /nfs/dbraw/zinc/42/57/02/383425702.db2.gz PDSNEMZUVHSVSH-CVEARBPZSA-N 2 0 274.408 2.802 20 0 CFADRP Cc1ccsc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673903 383426567 /nfs/dbraw/zinc/42/65/67/383426567.db2.gz NKRCBPFCWTUWHL-STQMWFEESA-N 2 0 250.411 2.773 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cn[nH]c1 ZINC000340472636 383431386 /nfs/dbraw/zinc/43/13/86/383431386.db2.gz IQKSBACPMIXDTP-KBPBESRZSA-N 2 0 264.417 2.572 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)[C@H]1C ZINC000481990454 383431913 /nfs/dbraw/zinc/43/19/13/383431913.db2.gz JJRVSZIYJVQRKF-OWYFMNJBSA-N 2 0 252.446 2.989 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@]1(C)CCCO1 ZINC000340473366 383432917 /nfs/dbraw/zinc/43/29/17/383432917.db2.gz BNNVYPBDHGVOGR-SUMWQHHRSA-N 2 0 294.414 2.935 20 0 CFADRP C[C@H](O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450494799 383437033 /nfs/dbraw/zinc/43/70/33/383437033.db2.gz OXLDCOYIFKVEMP-CVEARBPZSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000252889826 383438372 /nfs/dbraw/zinc/43/83/72/383438372.db2.gz FYJJWDGMAUHBEX-SMDDNHRTSA-N 2 0 284.350 2.718 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000252889825 383438430 /nfs/dbraw/zinc/43/84/30/383438430.db2.gz FYJJWDGMAUHBEX-BXUZGUMPSA-N 2 0 284.350 2.718 20 0 CFADRP c1cnc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)ccc2n1 ZINC000634978498 383438400 /nfs/dbraw/zinc/43/84/00/383438400.db2.gz FADQEIFSLPZTHA-UHFFFAOYSA-N 2 0 296.418 2.594 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000252894576 383439156 /nfs/dbraw/zinc/43/91/56/383439156.db2.gz WDVQYDBJZUZBSG-BXUZGUMPSA-N 2 0 252.789 2.770 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252945736 383440429 /nfs/dbraw/zinc/44/04/29/383440429.db2.gz MDTUTWZBAHPCJO-ARFHVFGLSA-N 2 0 268.445 2.704 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1nc2cc(F)ccc2o1)C1CC1 ZINC000634983043 383441204 /nfs/dbraw/zinc/44/12/04/383441204.db2.gz DAIHWXBZANCXST-UHFFFAOYSA-N 2 0 291.370 2.931 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2cccc(-n3cccn3)c2)CCCCC1 ZINC000568845354 383441331 /nfs/dbraw/zinc/44/13/31/383441331.db2.gz ZMSOYOHCEJCASJ-UHFFFAOYSA-N 2 0 284.407 2.624 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000253286213 383450276 /nfs/dbraw/zinc/45/02/76/383450276.db2.gz OKIKBMZRSREIFQ-SUMWQHHRSA-N 2 0 258.409 2.994 20 0 CFADRP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000634996004 383450309 /nfs/dbraw/zinc/45/03/09/383450309.db2.gz WGLAJSGXEXXSAN-DOMZBBRYSA-N 2 0 291.439 2.692 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000253352221 383451189 /nfs/dbraw/zinc/45/11/89/383451189.db2.gz NMZFYJXETICOCZ-ULQDDVLXSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000634996331 383452184 /nfs/dbraw/zinc/45/21/84/383452184.db2.gz HBTPZQNCHHENER-HOTGVXAUSA-N 2 0 275.440 2.624 20 0 CFADRP CC(C)[C@@H](C[NH3+])C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000634996333 383452448 /nfs/dbraw/zinc/45/24/48/383452448.db2.gz HBTPZQNCHHENER-JKSUJKDBSA-N 2 0 275.440 2.624 20 0 CFADRP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000634996007 383452614 /nfs/dbraw/zinc/45/26/14/383452614.db2.gz WGLAJSGXEXXSAN-WFASDCNBSA-N 2 0 291.439 2.692 20 0 CFADRP CCCC1CCC(C[NH+]2CCC([NH2+]CCO)CC2)CC1 ZINC000635001673 383456595 /nfs/dbraw/zinc/45/65/95/383456595.db2.gz YFHRATIMGWJDJN-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(C)C ZINC000635000801 383456992 /nfs/dbraw/zinc/45/69/92/383456992.db2.gz VWCBUERHYIZJBX-UKRRQHHQSA-N 2 0 292.423 2.509 20 0 CFADRP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c2ccccc12 ZINC000634999803 383457204 /nfs/dbraw/zinc/45/72/04/383457204.db2.gz ZFGROPLPNNKWMD-UKRRQHHQSA-N 2 0 284.403 2.875 20 0 CFADRP Cc1[nH+]ccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1Cl ZINC000450550382 383458759 /nfs/dbraw/zinc/45/87/59/383458759.db2.gz XLJCSOTXHQBTQK-LLVKDONJSA-N 2 0 279.815 2.964 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000635003445 383459232 /nfs/dbraw/zinc/45/92/32/383459232.db2.gz DCWIXSAZWGSNLS-LEUOFYLZSA-N 2 0 287.451 2.587 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635003792 383459937 /nfs/dbraw/zinc/45/99/37/383459937.db2.gz BINUNEHTXVECPT-KSZLIROESA-N 2 0 290.451 2.741 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000635004418 383460520 /nfs/dbraw/zinc/46/05/20/383460520.db2.gz DILNDUYYHIYKMF-CABCVRRESA-N 2 0 250.430 2.933 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005010 383461043 /nfs/dbraw/zinc/46/10/43/383461043.db2.gz LHMIAMUYAJVGHL-SRABZTEZSA-N 2 0 276.424 2.870 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000569008254 383461412 /nfs/dbraw/zinc/46/14/12/383461412.db2.gz NCAWUAKEHSGBQH-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000635006525 383463328 /nfs/dbraw/zinc/46/33/28/383463328.db2.gz RWWMAEUHRBNPAF-XEZPLFJOSA-N 2 0 274.408 2.877 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635008189 383464092 /nfs/dbraw/zinc/46/40/92/383464092.db2.gz RAOQKQJKFKOXNM-FXUDXRNXSA-N 2 0 285.435 2.564 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000635008438 383464608 /nfs/dbraw/zinc/46/46/08/383464608.db2.gz UJQSGGAPQUGYHY-YDHLFZDLSA-N 2 0 264.417 2.632 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635009069 383465306 /nfs/dbraw/zinc/46/53/06/383465306.db2.gz SRLYSUGECMUNGM-HOCLYGCPSA-N 2 0 269.392 2.692 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCCO[C@@H]21 ZINC000635009466 383465367 /nfs/dbraw/zinc/46/53/67/383465367.db2.gz HBNFODQTRKFOKQ-XQLPTFJDSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635009828 383465627 /nfs/dbraw/zinc/46/56/27/383465627.db2.gz WKBUHHIFNUCDMJ-RHSMWYFYSA-N 2 0 272.392 2.760 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000450573266 383467158 /nfs/dbraw/zinc/46/71/58/383467158.db2.gz WKBAUHABBJVEQI-HZPDHXFCSA-N 2 0 290.455 2.852 20 0 CFADRP c1cc2c(cccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]1 ZINC000635012450 383467790 /nfs/dbraw/zinc/46/77/90/383467790.db2.gz MNVZUIRQYAIPDD-PBWFPOADSA-N 2 0 255.365 2.541 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012480 383468202 /nfs/dbraw/zinc/46/82/02/383468202.db2.gz VDCGZMFFSZUUEM-CQSZACIVSA-N 2 0 288.435 2.627 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635012402 383468388 /nfs/dbraw/zinc/46/83/88/383468388.db2.gz MHLYEEFWPGUMLW-OWCLPIDISA-N 2 0 280.456 2.975 20 0 CFADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013345 383469639 /nfs/dbraw/zinc/46/96/39/383469639.db2.gz YABFSBMLOIJZHP-CTASWTNQSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000635014131 383470507 /nfs/dbraw/zinc/47/05/07/383470507.db2.gz OGYFRYXDUZLNRB-CXOJTPOUSA-N 2 0 296.842 2.523 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2cccnc2c1 ZINC000635020100 383472270 /nfs/dbraw/zinc/47/22/70/383472270.db2.gz JRFGROLTXQAPMN-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000635024375 383475171 /nfs/dbraw/zinc/47/51/71/383475171.db2.gz XIIIZWUOWPDWQP-GJZGRUSLSA-N 2 0 255.365 2.594 20 0 CFADRP Cc1nccn1CC[N@@H+](C)Cc1ccc(F)cc1C ZINC000487975594 383483358 /nfs/dbraw/zinc/48/33/58/383483358.db2.gz SJOBABPPLRGPCL-UHFFFAOYSA-N 2 0 261.344 2.771 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000340439133 383420027 /nfs/dbraw/zinc/42/00/27/383420027.db2.gz HTFDKUGJXFOLIK-MAZHCROVSA-N 2 0 277.412 2.508 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)N(C)C2CC2)CS1 ZINC000488462956 383546495 /nfs/dbraw/zinc/54/64/95/383546495.db2.gz MDWZGAZGGHUXJJ-OBJOEFQTSA-N 2 0 256.459 2.589 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000488462207 383546931 /nfs/dbraw/zinc/54/69/31/383546931.db2.gz LNJNPLKZXFBRDT-RDBSUJKOSA-N 2 0 270.486 2.838 20 0 CFADRP COc1cc(CN2CC[C@@](C)(C[NH3+])C2)cc(Cl)c1OC ZINC000261735473 383549237 /nfs/dbraw/zinc/54/92/37/383549237.db2.gz KEEROBLLDUKWNK-HNNXBMFYSA-N 2 0 298.814 2.528 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1F ZINC000259149766 383501559 /nfs/dbraw/zinc/50/15/59/383501559.db2.gz XNAVKHNUJZHIQI-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261549593 383509904 /nfs/dbraw/zinc/50/99/04/383509904.db2.gz KRJXUDPFLSKFNT-MGPQQGTHSA-N 2 0 256.459 2.638 20 0 CFADRP Cc1nc2ccc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000261745732 383550765 /nfs/dbraw/zinc/55/07/65/383550765.db2.gz BTCQTBUDSMTRFX-GWCFXTLKSA-N 2 0 275.421 2.774 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000261549321 383510570 /nfs/dbraw/zinc/51/05/70/383510570.db2.gz KKCOBTWSJPNOMN-ZDUSSCGKSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569566718 383512667 /nfs/dbraw/zinc/51/26/67/383512667.db2.gz XKUPZYQJKBKVQJ-LXZKKBNFSA-N 2 0 258.409 2.960 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]21 ZINC000261563255 383512690 /nfs/dbraw/zinc/51/26/90/383512690.db2.gz WWGZRLQISOMSEH-JBLDHEPKSA-N 2 0 270.829 2.961 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(CO)ccc1F ZINC000528393438 383516464 /nfs/dbraw/zinc/51/64/64/383516464.db2.gz WTEUKIGUJJHIQJ-INIZCTEOSA-N 2 0 294.414 2.624 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1OC ZINC000429310108 383517064 /nfs/dbraw/zinc/51/70/64/383517064.db2.gz WHBVKDFOHPHXSZ-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000261587540 383520769 /nfs/dbraw/zinc/52/07/69/383520769.db2.gz JOMZBFXGCQPKOY-GXFFZTMASA-N 2 0 272.314 2.793 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000261585409 383521081 /nfs/dbraw/zinc/52/10/81/383521081.db2.gz IKMJEXCQKOABKT-RDJZCZTQSA-N 2 0 258.409 2.796 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000261587772 383521090 /nfs/dbraw/zinc/52/10/90/383521090.db2.gz JOMZBFXGCQPKOY-MFKMUULPSA-N 2 0 272.314 2.793 20 0 CFADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000635267955 383521694 /nfs/dbraw/zinc/52/16/94/383521694.db2.gz VNTRXSLIQIUTFL-CQSZACIVSA-N 2 0 289.423 2.561 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000635265004 383521843 /nfs/dbraw/zinc/52/18/43/383521843.db2.gz NYFQSROORHZPDC-UHFFFAOYSA-N 2 0 291.439 2.665 20 0 CFADRP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000261588265 383522521 /nfs/dbraw/zinc/52/25/21/383522521.db2.gz VMUNQRJYCSXWAX-JOCQHMNTSA-N 2 0 267.442 2.615 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000261596728 383525468 /nfs/dbraw/zinc/52/54/68/383525468.db2.gz PGVMSGJLSZNCTB-CJNGLKHVSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000261617123 383528968 /nfs/dbraw/zinc/52/89/68/383528968.db2.gz BXAKDUZXOBTIPY-GOSISDBHSA-N 2 0 281.403 2.919 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261643597 383535323 /nfs/dbraw/zinc/53/53/23/383535323.db2.gz XJQHIUJWSJPSQC-MRXNPFEDSA-N 2 0 258.365 2.912 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@@H](C)C1 ZINC000429468206 383535751 /nfs/dbraw/zinc/53/57/51/383535751.db2.gz KIXWVHKHTBHPST-JSGCOSHPSA-N 2 0 290.398 2.511 20 0 CFADRP COC1(C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)CCC1 ZINC000429520337 383539253 /nfs/dbraw/zinc/53/92/53/383539253.db2.gz XRWHKAWOSRFPJT-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000488442876 383540253 /nfs/dbraw/zinc/54/02/53/383540253.db2.gz UTGKKEZPHSIGKG-BPQIPLTHSA-N 2 0 272.436 2.797 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000261686837 383541422 /nfs/dbraw/zinc/54/14/22/383541422.db2.gz HKEVDPXFNAQHBD-MRXNPFEDSA-N 2 0 271.364 2.512 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000488452144 383544052 /nfs/dbraw/zinc/54/40/52/383544052.db2.gz AREXPNJTDWJZHP-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261881738 383575783 /nfs/dbraw/zinc/57/57/83/383575783.db2.gz QZTFHSJWYSJEKG-INIZCTEOSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H](CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261918518 383579091 /nfs/dbraw/zinc/57/90/91/383579091.db2.gz KERLWICCFFAUBB-MAZHCROVSA-N 2 0 262.372 2.756 20 0 CFADRP C[NH2+]C1CCN(Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000261924110 383579915 /nfs/dbraw/zinc/57/99/15/383579915.db2.gz KVLILKTWRBUZBV-UHFFFAOYSA-N 2 0 298.434 2.579 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000261920381 383580628 /nfs/dbraw/zinc/58/06/28/383580628.db2.gz KIJWZBHYBRPHNR-IUCAKERBSA-N 2 0 278.343 2.936 20 0 CFADRP CCc1cccc(Cl)c1CN1CCC([NH3+])CC1 ZINC000261924141 383580780 /nfs/dbraw/zinc/58/07/80/383580780.db2.gz KWIMLVGFRAPRRE-UHFFFAOYSA-N 2 0 252.789 2.826 20 0 CFADRP c1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000262201753 383611466 /nfs/dbraw/zinc/61/14/66/383611466.db2.gz KMORLYDVSZRGBA-SFHVURJKSA-N 2 0 281.403 2.760 20 0 CFADRP CCc1oc2ccccc2c1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261936376 383583049 /nfs/dbraw/zinc/58/30/49/383583049.db2.gz DGURJKCFYMDNSK-BXUZGUMPSA-N 2 0 258.365 2.774 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261941770 383583303 /nfs/dbraw/zinc/58/33/03/383583303.db2.gz MUBYPTSVWPVUDO-HNNXBMFYSA-N 2 0 298.434 2.566 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261946419 383583865 /nfs/dbraw/zinc/58/38/65/383583865.db2.gz FJADODOWINDLOQ-RYUDHWBXSA-N 2 0 286.379 2.568 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261962659 383587087 /nfs/dbraw/zinc/58/70/87/383587087.db2.gz PKWSTSRGPCKBMR-OAHLLOKOSA-N 2 0 298.434 2.566 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC[NH2+]C1 ZINC000261967412 383588707 /nfs/dbraw/zinc/58/87/07/383588707.db2.gz HXYIGFNSAPCNEQ-GOEBONIOSA-N 2 0 262.372 2.615 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000261975312 383588984 /nfs/dbraw/zinc/58/89/84/383588984.db2.gz QUDXSLPMOODBLS-DZKIICNBSA-N 2 0 292.398 2.784 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000261978024 383589616 /nfs/dbraw/zinc/58/96/16/383589616.db2.gz QZOXKGNLNIVFIB-UHFFFAOYSA-N 2 0 252.789 2.832 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000261977971 383590141 /nfs/dbraw/zinc/59/01/41/383590141.db2.gz QYGNRBPVMYFMBL-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c[nH]cn1 ZINC000528613179 383590373 /nfs/dbraw/zinc/59/03/73/383590373.db2.gz YQKXNVFNODSTLZ-GOSISDBHSA-N 2 0 298.434 2.752 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430923889 383612006 /nfs/dbraw/zinc/61/20/06/383612006.db2.gz HCUYEWDRUDFQPB-OAHLLOKOSA-N 2 0 276.424 2.823 20 0 CFADRP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262014924 383594802 /nfs/dbraw/zinc/59/48/02/383594802.db2.gz MPLHWQVEAFWNJE-QSJFSLAZSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000262018905 383595928 /nfs/dbraw/zinc/59/59/28/383595928.db2.gz VYOUNYWAKRHUAO-CQSZACIVSA-N 2 0 278.465 2.979 20 0 CFADRP CCCC1CCC(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262094924 383603382 /nfs/dbraw/zinc/60/33/82/383603382.db2.gz HSBYXJKKPQHNAX-DAWZGUTISA-N 2 0 293.499 2.572 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000262229406 383612692 /nfs/dbraw/zinc/61/26/92/383612692.db2.gz VFHVKMDPNFUUMH-UHFFFAOYSA-N 2 0 264.413 2.599 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC000262141190 383608816 /nfs/dbraw/zinc/60/88/16/383608816.db2.gz ZDUCWFBPZAWEBP-LJQANCHMSA-N 2 0 293.414 2.934 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262150136 383609512 /nfs/dbraw/zinc/60/95/12/383609512.db2.gz RCPMCJMGMCPCJP-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000262150132 383609692 /nfs/dbraw/zinc/60/96/92/383609692.db2.gz RCPMCJMGMCPCJP-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000261758876 383554179 /nfs/dbraw/zinc/55/41/79/383554179.db2.gz CTRQEVCDHGXXIB-QWHCGFSZSA-N 2 0 266.816 2.985 20 0 CFADRP c1c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)onc1-c1ccccc1 ZINC000261758575 383554326 /nfs/dbraw/zinc/55/43/26/383554326.db2.gz UQNICOIZTUEZQO-HOCLYGCPSA-N 2 0 283.375 2.525 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261768423 383557145 /nfs/dbraw/zinc/55/71/45/383557145.db2.gz DMAREAVZMMIFJB-HUUCEWRRSA-N 2 0 298.434 2.565 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3CCCN3Cc3ccccc3)n2)CCC1 ZINC000261783732 383559792 /nfs/dbraw/zinc/55/97/92/383559792.db2.gz OABKNEJQOYUVHS-AWEZNQCLSA-N 2 0 298.390 2.745 20 0 CFADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261863649 383571189 /nfs/dbraw/zinc/57/11/89/383571189.db2.gz GGSHVQJLBNUIQC-BYICEURKSA-N 2 0 296.418 2.587 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C1 ZINC000570826590 383639169 /nfs/dbraw/zinc/63/91/69/383639169.db2.gz HTIJQWVNFVTBAI-KFWWJZLASA-N 2 0 293.480 2.745 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263103886 383654810 /nfs/dbraw/zinc/65/48/10/383654810.db2.gz ZSHQQLRRWAKWNX-RDJZCZTQSA-N 2 0 289.423 2.642 20 0 CFADRP Cc1nc2cc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])ccc2[nH]1 ZINC000263167219 383655840 /nfs/dbraw/zinc/65/58/40/383655840.db2.gz FIFOHIYAWXUCSQ-MLGOLLRUSA-N 2 0 286.379 2.717 20 0 CFADRP Cc1nc2cc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])ccc2[nH]1 ZINC000263167220 383655914 /nfs/dbraw/zinc/65/59/14/383655914.db2.gz FIFOHIYAWXUCSQ-WBMJQRKESA-N 2 0 286.379 2.717 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430938518 383614316 /nfs/dbraw/zinc/61/43/16/383614316.db2.gz BYCZPZCEBUPMAH-AWEZNQCLSA-N 2 0 283.375 2.655 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000570673777 383624600 /nfs/dbraw/zinc/62/46/00/383624600.db2.gz VKIQWFKSHUUTKQ-MRXNPFEDSA-N 2 0 262.397 2.747 20 0 CFADRP c1ccc(SCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431039596 383625211 /nfs/dbraw/zinc/62/52/11/383625211.db2.gz INDLHMIVILHTRB-UHFFFAOYSA-N 2 0 276.449 2.854 20 0 CFADRP CC[C@H](C)[C@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431068053 383627203 /nfs/dbraw/zinc/62/72/03/383627203.db2.gz GWHJWFVFTOPIER-QWRGUYRKSA-N 2 0 280.416 2.662 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423464871 533007014 /nfs/dbraw/zinc/00/70/14/533007014.db2.gz RHNORNIJLFSNCU-IHRRRGAJSA-N 2 0 262.397 2.863 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCOC2)C[C@H]1C ZINC000645811904 383757102 /nfs/dbraw/zinc/75/71/02/383757102.db2.gz WONCCMOHWLIBTM-OAGGEKHMSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCC[C@H]2CCOC2)CC1 ZINC000645811820 383757158 /nfs/dbraw/zinc/75/71/58/383757158.db2.gz NJPZUXZOGSIPPC-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453121268 383774988 /nfs/dbraw/zinc/77/49/88/383774988.db2.gz DSIWHPJMBBLCSG-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428182 383775011 /nfs/dbraw/zinc/77/50/11/383775011.db2.gz PHHHMWQOZRHHJU-ZDUSSCGKSA-N 2 0 279.453 2.743 20 0 CFADRP C[N@H+](CCC[NH3+])CCCCCOc1ccccc1 ZINC000572363144 383775823 /nfs/dbraw/zinc/77/58/23/383775823.db2.gz LHHSLNDKFMKCTD-UHFFFAOYSA-N 2 0 250.386 2.516 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000422888505 533004311 /nfs/dbraw/zinc/00/43/11/533004311.db2.gz NBKQYXUUSBGDGC-QWHCGFSZSA-N 2 0 297.402 2.656 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)n1 ZINC000571145541 383667591 /nfs/dbraw/zinc/66/75/91/383667591.db2.gz BFRQUTXSCVLUKR-NSHDSACASA-N 2 0 281.363 2.592 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000640016260 383672254 /nfs/dbraw/zinc/67/22/54/383672254.db2.gz WMDYVZVKRGKTJY-MRXNPFEDSA-N 2 0 282.472 2.734 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]CCC2=CC[NH2+]CC2)C2CCCCC2)n1 ZINC000572712820 383809367 /nfs/dbraw/zinc/80/93/67/383809367.db2.gz BUQSUIRXTAFNPZ-INIZCTEOSA-N 2 0 288.439 2.931 20 0 CFADRP C[C@H](c1cccnc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000264976979 383810214 /nfs/dbraw/zinc/81/02/14/383810214.db2.gz JRARMABPDVOMIL-CQSZACIVSA-N 2 0 261.413 2.806 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccccn1 ZINC000640531252 383818439 /nfs/dbraw/zinc/81/84/39/383818439.db2.gz NPJRZXQBNMNAIE-UHFFFAOYSA-N 2 0 261.413 2.780 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC1CCOCC1 ZINC000640532083 383818873 /nfs/dbraw/zinc/81/88/73/383818873.db2.gz VUTDDJNDAABPGX-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@H+](C)CCCC[NH+]2CCCCC2)O1 ZINC000640535026 383819537 /nfs/dbraw/zinc/81/95/37/383819537.db2.gz YTLGUHSDSDDWHJ-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@@H]1CC[C@H](C[N@H+](C)CCCC[NH+]2CCCCC2)O1 ZINC000640535028 383820264 /nfs/dbraw/zinc/82/02/64/383820264.db2.gz YTLGUHSDSDDWHJ-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)(C)C[N@H+](CCCO)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000572413466 383780863 /nfs/dbraw/zinc/78/08/63/383780863.db2.gz FNCPQSMVDPBACW-UHFFFAOYSA-N 2 0 290.451 2.563 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453148389 383784538 /nfs/dbraw/zinc/78/45/38/383784538.db2.gz YSYNOLYEBMKZMP-SFHVURJKSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000572483734 383785693 /nfs/dbraw/zinc/78/56/93/383785693.db2.gz PPNIPGGUVHFMGV-CYZMBNFOSA-N 2 0 265.376 2.780 20 0 CFADRP Cc1ncc(C[NH+]2CCC(CC[NH3+])CC2)n1-c1ccccc1 ZINC000572846331 383826151 /nfs/dbraw/zinc/82/61/51/383826151.db2.gz WYNIAXUSSRJJBC-UHFFFAOYSA-N 2 0 298.434 2.742 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000453185695 383794250 /nfs/dbraw/zinc/79/42/50/383794250.db2.gz XVCMJJCNWGLZDM-HNNXBMFYSA-N 2 0 273.424 2.644 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436283742 383799465 /nfs/dbraw/zinc/79/94/65/383799465.db2.gz KQEDWLKQZIMQKE-UBDQQSCGSA-N 2 0 272.436 2.938 20 0 CFADRP CC[NH+](CC)CCCN[C@@H](CCO)c1ccccc1F ZINC000646069917 383847425 /nfs/dbraw/zinc/84/74/25/383847425.db2.gz CEQFHSYSAGPSOU-INIZCTEOSA-N 2 0 282.403 2.571 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453401821 383852236 /nfs/dbraw/zinc/85/22/36/383852236.db2.gz FHSMCGCSGNFTQD-PQEBFOHHSA-N 2 0 280.456 2.533 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000572982340 383852760 /nfs/dbraw/zinc/85/27/60/383852760.db2.gz SPTAMIIGTSDYFR-SJORKVTESA-N 2 0 278.440 2.676 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453596940 383867698 /nfs/dbraw/zinc/86/76/98/383867698.db2.gz MJACZIQUVTYESK-AWEZNQCLSA-N 2 0 276.424 2.787 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnn(-c2ccccc2)c1)C1CC1 ZINC000453599380 383867730 /nfs/dbraw/zinc/86/77/30/383867730.db2.gz QVSDBIVJUJOPFO-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC000453602106 383869562 /nfs/dbraw/zinc/86/95/62/383869562.db2.gz PDLFTHYDGMXPDY-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104298 383872742 /nfs/dbraw/zinc/87/27/42/383872742.db2.gz ISJNRSCGKCTASG-UHFFFAOYSA-N 2 0 288.435 2.600 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CC[C@@H]1CCCC[NH+]1C)CCOCC2 ZINC000646101030 383873029 /nfs/dbraw/zinc/87/30/29/383873029.db2.gz USROUEQCMCPBDE-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000573107041 383873702 /nfs/dbraw/zinc/87/37/02/383873702.db2.gz QGIHCOPPIMMQGY-IACUBPJLSA-N 2 0 282.815 2.967 20 0 CFADRP Cc1ccccc1[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104440 383874787 /nfs/dbraw/zinc/87/47/87/383874787.db2.gz DBTJQSPABNILTH-INIZCTEOSA-N 2 0 288.435 2.853 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000453607949 383874804 /nfs/dbraw/zinc/87/48/04/383874804.db2.gz XXZFKTYTDZZXSW-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H]3CN(C)C[C@@H]3C)c[nH]c21 ZINC000531716059 383910160 /nfs/dbraw/zinc/91/01/60/383910160.db2.gz WELOKDUVDRNZMS-SUMWQHHRSA-N 2 0 285.435 2.813 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H]3CN(C)C[C@@H]3C)c[nH]c21 ZINC000531716058 383910209 /nfs/dbraw/zinc/91/02/09/383910209.db2.gz WELOKDUVDRNZMS-GUYCJALGSA-N 2 0 285.435 2.813 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(C2CC2)s1 ZINC000573434376 383929047 /nfs/dbraw/zinc/92/90/47/383929047.db2.gz USWGUDSHLIQYNY-BXUZGUMPSA-N 2 0 279.453 2.793 20 0 CFADRP C[N@H+](CCCC[NH2+]CC1Cc2ccccc2C1)C1CC1 ZINC000573199600 383889701 /nfs/dbraw/zinc/88/97/01/383889701.db2.gz NCLVMGGJANLJOK-UHFFFAOYSA-N 2 0 272.436 2.865 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423151024 533020974 /nfs/dbraw/zinc/02/09/74/533020974.db2.gz ZPKIWEDKXNIYOU-LRDDRELGSA-N 2 0 280.387 2.547 20 0 CFADRP CCC(=O)Nc1cccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000531937298 383942819 /nfs/dbraw/zinc/94/28/19/383942819.db2.gz VXVJVLVXONXMGX-ZFWWWQNUSA-N 2 0 289.423 2.607 20 0 CFADRP Cc1ccc(CC[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000531989574 383955822 /nfs/dbraw/zinc/95/58/22/383955822.db2.gz MWNZECCFXZUSEH-UHFFFAOYSA-N 2 0 250.386 2.593 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000438175151 383964004 /nfs/dbraw/zinc/96/40/04/383964004.db2.gz HTTHVYKUMKBJIC-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438193487 383969148 /nfs/dbraw/zinc/96/91/48/383969148.db2.gz VJJVBDKOXDFZLS-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532442209 384029163 /nfs/dbraw/zinc/02/91/63/384029163.db2.gz KOHXTIKISDLHGH-CABCVRRESA-N 2 0 295.496 2.815 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000574154452 384052632 /nfs/dbraw/zinc/05/26/32/384052632.db2.gz ZYPQSONZNLFMFF-SFHVURJKSA-N 2 0 287.451 2.883 20 0 CFADRP Cc1cnc(CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(C)c1 ZINC000574076283 384039752 /nfs/dbraw/zinc/03/97/52/384039752.db2.gz FYMMWUQJGJSCDV-QGZVFWFLSA-N 2 0 297.402 2.789 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000574397702 384089466 /nfs/dbraw/zinc/08/94/66/384089466.db2.gz HWFGZYICWRGMOS-TWMKSMIVSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@@H](F)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000440515362 384092082 /nfs/dbraw/zinc/09/20/82/384092082.db2.gz YVXFVNBBNZKDNW-JKSUJKDBSA-N 2 0 279.403 2.583 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000574510687 384107297 /nfs/dbraw/zinc/10/72/97/384107297.db2.gz QPWOERSUVORESO-JQFCIGGWSA-N 2 0 258.409 2.768 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000574563020 384115365 /nfs/dbraw/zinc/11/53/65/384115365.db2.gz KRVPEWMQLMBXOY-JSGCOSHPSA-N 2 0 296.842 2.869 20 0 CFADRP CC[C@H](F)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000440515100 384092870 /nfs/dbraw/zinc/09/28/70/384092870.db2.gz YERMJZQZBJSPFZ-KGLIPLIRSA-N 2 0 299.459 2.953 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000574636501 384124743 /nfs/dbraw/zinc/12/47/43/384124743.db2.gz HQVIGTHKLRVKLW-QGZVFWFLSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574683482 384131960 /nfs/dbraw/zinc/13/19/60/384131960.db2.gz MIDQLJFZWJCHQO-VDHUWJSZSA-N 2 0 288.435 2.742 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C)cc2)C1 ZINC000266643959 384213461 /nfs/dbraw/zinc/21/34/61/384213461.db2.gz VLTFDOGYEBHNGH-KRWDZBQOSA-N 2 0 260.425 2.811 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000637856878 384228755 /nfs/dbraw/zinc/22/87/55/384228755.db2.gz IXZWRKAYGUDLQO-GFCCVEGCSA-N 2 0 277.412 2.623 20 0 CFADRP CSc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000641707207 384277899 /nfs/dbraw/zinc/27/78/99/384277899.db2.gz CAPKATBLICTSPX-VXGBXAGGSA-N 2 0 266.410 2.718 20 0 CFADRP Cn1c(C[NH+]2CCC(C[NH+](C)C)CC2)cc2ccccc21 ZINC000637907572 384268647 /nfs/dbraw/zinc/26/86/47/384268647.db2.gz NJAQGCCTEFGJIR-UHFFFAOYSA-N 2 0 285.435 2.952 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC000637907792 384269007 /nfs/dbraw/zinc/26/90/07/384269007.db2.gz RNWBSZQESOMYDC-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641737617 384306468 /nfs/dbraw/zinc/30/64/68/384306468.db2.gz YNCHEXMCROAMON-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000641707738 384279613 /nfs/dbraw/zinc/27/96/13/384279613.db2.gz PMOVTOGRWOJNBH-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000641707792 384280538 /nfs/dbraw/zinc/28/05/38/384280538.db2.gz KKSMWUIHTMPDPN-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641798225 384365728 /nfs/dbraw/zinc/36/57/28/384365728.db2.gz IYERVMHGPZCSHJ-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)cc2cccnc21 ZINC000641801137 384368388 /nfs/dbraw/zinc/36/83/88/384368388.db2.gz AKXSOGHJBFCKAA-KBPBESRZSA-N 2 0 273.355 2.589 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c2ccccc2n1 ZINC000641803298 384370923 /nfs/dbraw/zinc/37/09/23/384370923.db2.gz SGZWEHPXCCJUMH-HZPDHXFCSA-N 2 0 269.392 2.759 20 0 CFADRP CSc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000641759057 384325097 /nfs/dbraw/zinc/32/50/97/384325097.db2.gz AIJBOJYFIGWWBM-UHFFFAOYSA-N 2 0 268.426 2.966 20 0 CFADRP CSc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000641759321 384325122 /nfs/dbraw/zinc/32/51/22/384325122.db2.gz AKSFIZMVNICNFQ-LBPRGKRZSA-N 2 0 268.426 2.823 20 0 CFADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000641806102 384373012 /nfs/dbraw/zinc/37/30/12/384373012.db2.gz CDDCLCQIWIVYKO-HOTGVXAUSA-N 2 0 299.462 2.512 20 0 CFADRP Cn1c(CN2CC[C@@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000638075151 384393992 /nfs/dbraw/zinc/39/39/92/384393992.db2.gz CGQOJQJDQSPDKB-AWEZNQCLSA-N 2 0 271.408 2.562 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000638106138 384418958 /nfs/dbraw/zinc/41/89/58/384418958.db2.gz ZWSYDIKFDKIMGK-YESZJQIVSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000277686198 384375866 /nfs/dbraw/zinc/37/58/66/384375866.db2.gz QAFRBYQUXAIYGC-IUODEOHRSA-N 2 0 280.362 2.894 20 0 CFADRP FCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000281131662 195117409 /nfs/dbraw/zinc/11/74/09/195117409.db2.gz TVIMOQWKDSOTTJ-GVDBMIGSSA-N 2 0 276.399 2.846 20 0 CFADRP CO[C@@](C)(C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000638121081 384433298 /nfs/dbraw/zinc/43/32/98/384433298.db2.gz JFFIEPAVJIBFIY-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCSCC3)CC[C@H]21 ZINC000638177683 384471124 /nfs/dbraw/zinc/47/11/24/384471124.db2.gz LWFJVEFKAWRFAA-LSDHHAIUSA-N 2 0 268.470 2.546 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000638176717 384472415 /nfs/dbraw/zinc/47/24/15/384472415.db2.gz GTUUONRFCCGXIW-CABCVRRESA-N 2 0 250.430 2.839 20 0 CFADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC3)C2)cc1 ZINC000289413767 197336765 /nfs/dbraw/zinc/33/67/65/197336765.db2.gz AMFLYMXGTGHDNE-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2ccsc2)cc1 ZINC000643056247 384488472 /nfs/dbraw/zinc/48/84/72/384488472.db2.gz XCNJRUQWEAYAGM-OAHLLOKOSA-N 2 0 290.432 2.931 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638289152 384533240 /nfs/dbraw/zinc/53/32/40/384533240.db2.gz KQTRVVDTRGKVOI-AWEZNQCLSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1nc(F)ccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000278457342 384581076 /nfs/dbraw/zinc/58/10/76/384581076.db2.gz XEJSRRSYRMMYTN-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP C[C@H](C[NH2+]CC1CCSCC1)N1CCC[C@H](C)C1 ZINC000638364181 384589511 /nfs/dbraw/zinc/58/95/11/384589511.db2.gz WULFATYZZFIQBF-UONOGXRCSA-N 2 0 270.486 2.840 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](C)C2CCCCC2)CC1 ZINC000638363977 384589876 /nfs/dbraw/zinc/58/98/76/384589876.db2.gz UJCIEIBOPPTVPX-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000643349818 384603385 /nfs/dbraw/zinc/60/33/85/384603385.db2.gz WSVGENMFTFALDX-QFWMXSHPSA-N 2 0 267.442 2.975 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CS1 ZINC000638381776 384608750 /nfs/dbraw/zinc/60/87/50/384608750.db2.gz PHOBEAGVKMXGPT-HIFRSBDPSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638405083 384626408 /nfs/dbraw/zinc/62/64/08/384626408.db2.gz UUHFUHMXLJJMTG-CYBMUJFWSA-N 2 0 296.480 2.504 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(CO)cc1 ZINC000638365220 384591641 /nfs/dbraw/zinc/59/16/41/384591641.db2.gz CPDCOMSPMPOIMT-MRXNPFEDSA-N 2 0 290.451 2.923 20 0 CFADRP COCC1(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000638365125 384591771 /nfs/dbraw/zinc/59/17/71/384591771.db2.gz BBMQHZUKBILHQT-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638366382 384592940 /nfs/dbraw/zinc/59/29/40/384592940.db2.gz NVQLELOYOAZFPO-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638367921 384593144 /nfs/dbraw/zinc/59/31/44/384593144.db2.gz ZISRXZFQWUEOOY-KLAILNCOSA-N 2 0 290.455 2.688 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC[C@@H]1CCO1 ZINC000638366279 384593600 /nfs/dbraw/zinc/59/36/00/384593600.db2.gz MNEUHSCTRXCUIQ-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CCC[C@H]2CCO2)C1 ZINC000638369922 384596695 /nfs/dbraw/zinc/59/66/95/384596695.db2.gz JMXKGIMNOXUBMO-BBWFWOEESA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497624 384663547 /nfs/dbraw/zinc/66/35/47/384663547.db2.gz JGIDXXXHPGNMIP-MAUKXSAKSA-N 3 0 293.499 2.619 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000643497620 384663683 /nfs/dbraw/zinc/66/36/83/384663683.db2.gz IRGVMGSJDOBPPV-OAHLLOKOSA-N 2 0 266.335 2.541 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC000643500940 384665408 /nfs/dbraw/zinc/66/54/08/384665408.db2.gz JLNATDOIGCKGJE-RHSMWYFYSA-N 2 0 258.409 2.523 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000643499233 384665857 /nfs/dbraw/zinc/66/58/57/384665857.db2.gz MFIUINZFENVOAQ-CQSZACIVSA-N 2 0 294.439 2.532 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453524 384634882 /nfs/dbraw/zinc/63/48/82/384634882.db2.gz JUMDUUYKSOKRTB-IUODEOHRSA-N 2 0 281.403 2.839 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457103 384636957 /nfs/dbraw/zinc/63/69/57/384636957.db2.gz VSVVDQWMLHLBGQ-DOTOQJQBSA-N 2 0 260.425 2.966 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456626 384637877 /nfs/dbraw/zinc/63/78/77/384637877.db2.gz OAOXYDCZXWHYKR-QWHCGFSZSA-N 2 0 272.314 2.717 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000643457534 384640395 /nfs/dbraw/zinc/64/03/95/384640395.db2.gz JFHZDXWDRCPXPB-HOCLYGCPSA-N 2 0 290.451 2.951 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000643468074 384648658 /nfs/dbraw/zinc/64/86/58/384648658.db2.gz QGEGPAMOTHRWSJ-SUMWQHHRSA-N 2 0 258.409 2.968 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1OC(F)F ZINC000643469637 384649851 /nfs/dbraw/zinc/64/98/51/384649851.db2.gz UBFKBDAIPHVXKV-NXEZZACHSA-N 2 0 288.338 2.512 20 0 CFADRP COc1cccc(C2([NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000643469077 384650433 /nfs/dbraw/zinc/65/04/33/384650433.db2.gz BFBIUURYTIEMCV-UONOGXRCSA-N 2 0 274.408 2.662 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1OC(F)F ZINC000643469638 384650959 /nfs/dbraw/zinc/65/09/59/384650959.db2.gz UBFKBDAIPHVXKV-UWVGGRQHSA-N 2 0 288.338 2.512 20 0 CFADRP CCC1(O)CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000643474138 384652359 /nfs/dbraw/zinc/65/23/59/384652359.db2.gz GJCJSJVOJMFHEO-KZYLPZIUSA-N 2 0 282.472 2.971 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643474469 384652632 /nfs/dbraw/zinc/65/26/32/384652632.db2.gz SPJFHNFWXSTSIK-MAAHGYRXSA-N 2 0 296.414 2.885 20 0 CFADRP c1csc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000643477673 384655416 /nfs/dbraw/zinc/65/54/16/384655416.db2.gz MMTQZSNMWCXNQA-FUNVUKJBSA-N 2 0 250.411 2.553 20 0 CFADRP CC[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643481485 384656611 /nfs/dbraw/zinc/65/66/11/384656611.db2.gz YGBYATUTQDWLAB-FOIPXRHGSA-N 2 0 288.435 2.854 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000268849907 384675895 /nfs/dbraw/zinc/67/58/95/384675895.db2.gz WEOVUPAAMUBHTQ-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])CCO2 ZINC000643482370 384657700 /nfs/dbraw/zinc/65/77/00/384657700.db2.gz CSPNXRHFLCPWPB-VBNZEHGJSA-N 2 0 290.407 2.626 20 0 CFADRP CC[C@](C)(C[NH2+]Cc1ccccc1OCC[NH+](C)C)OC ZINC000638444970 384660714 /nfs/dbraw/zinc/66/07/14/384660714.db2.gz LEPHEBPWEINAHK-QGZVFWFLSA-N 2 0 294.439 2.532 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643542711 384723006 /nfs/dbraw/zinc/72/30/06/384723006.db2.gz GSGMJFUKVOZZCB-YDHLFZDLSA-N 2 0 276.428 2.776 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000268864760 384679888 /nfs/dbraw/zinc/67/98/88/384679888.db2.gz CKVXQYMFPMUGSI-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643512319 384681951 /nfs/dbraw/zinc/68/19/51/384681951.db2.gz GILITYYEBVVJGF-ZNMIVQPWSA-N 2 0 259.397 2.566 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CCc2c1cc(F)cc2F ZINC000643511225 384682710 /nfs/dbraw/zinc/68/27/10/384682710.db2.gz TVZDECOCMOHDEJ-NHYWBVRUSA-N 2 0 268.351 2.915 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2nc3c(cccc3C)o2)CC1 ZINC000268880078 384683967 /nfs/dbraw/zinc/68/39/67/384683967.db2.gz AURAIIBBKXQWDO-UHFFFAOYSA-N 2 0 287.407 2.753 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000643518725 384685186 /nfs/dbraw/zinc/68/51/86/384685186.db2.gz RGPHGHBPVCTGFG-XJKSGUPXSA-N 2 0 261.413 2.739 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000268894821 384686170 /nfs/dbraw/zinc/68/61/70/384686170.db2.gz ANYYDOGUMFTFIC-OLZOCXBDSA-N 2 0 299.846 2.742 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000643521664 384686676 /nfs/dbraw/zinc/68/66/76/384686676.db2.gz SNHPBIUXBLEQAR-YGRLFVJLSA-N 2 0 254.324 2.758 20 0 CFADRP c1cncc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000643522522 384688596 /nfs/dbraw/zinc/68/85/96/384688596.db2.gz OKRGBTNSVPIBPY-JKSUJKDBSA-N 2 0 259.397 2.655 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H](C)C2 ZINC000643522585 384689018 /nfs/dbraw/zinc/68/90/18/384689018.db2.gz PQVUOSIABFJZJQ-FRFSOERESA-N 2 0 258.409 2.960 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H](C)C2 ZINC000643522586 384689953 /nfs/dbraw/zinc/68/99/53/384689953.db2.gz PQVUOSIABFJZJQ-JLJPHGGASA-N 2 0 258.409 2.960 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)s1 ZINC000643523609 384690759 /nfs/dbraw/zinc/69/07/59/384690759.db2.gz AORAHDFHMDRZSR-SNVBAGLBSA-N 2 0 273.405 2.906 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000643522874 384691358 /nfs/dbraw/zinc/69/13/58/384691358.db2.gz UEIWEQDVIGGKHI-JQWIXIFHSA-N 2 0 283.803 2.536 20 0 CFADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643525374 384693657 /nfs/dbraw/zinc/69/36/57/384693657.db2.gz BISVKIYXQWSAPQ-JQFCIGGWSA-N 2 0 258.409 2.664 20 0 CFADRP CC[C@@H](NC[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000643526042 384694155 /nfs/dbraw/zinc/69/41/55/384694155.db2.gz OEMLZPWBMKXBFF-JOYOIKCWSA-N 2 0 271.202 2.837 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H](C)[NH3+] ZINC000643526196 384696854 /nfs/dbraw/zinc/69/68/54/384696854.db2.gz UAINTEGZKCTDJB-WDEREUQCSA-N 2 0 272.339 2.546 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)[NH3+])[C@@H](C)c1nc2ccccc2s1 ZINC000643528272 384698254 /nfs/dbraw/zinc/69/82/54/384698254.db2.gz GGSRDGYERZWNHP-HBNTYKKESA-N 2 0 263.410 2.725 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000643527462 384699008 /nfs/dbraw/zinc/69/90/08/384699008.db2.gz NDYKYKSPADZPJK-IINYFYTJSA-N 2 0 252.789 2.598 20 0 CFADRP COc1ccc(C2CCC([NH2+]C[C@H](C)[NH3+])CC2)cc1 ZINC000643528078 384699457 /nfs/dbraw/zinc/69/94/57/384699457.db2.gz YTPMLJDRNAPPKN-OPFPJEHXSA-N 2 0 262.397 2.658 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](C)[NH3+])cc1F ZINC000643528358 384700676 /nfs/dbraw/zinc/70/06/76/384700676.db2.gz HWLSEOAUUFLMHB-WHOFXGATSA-N 2 0 280.387 2.797 20 0 CFADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H](C)[NH3+] ZINC000643528946 384703610 /nfs/dbraw/zinc/70/36/10/384703610.db2.gz RQJVJZSALMSPLH-DTWKUNHWSA-N 2 0 261.196 2.861 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)COC2 ZINC000643533660 384705307 /nfs/dbraw/zinc/70/53/07/384705307.db2.gz AOAFKZIBNXPOFU-WBMJQRKESA-N 2 0 272.392 2.510 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533859 384705519 /nfs/dbraw/zinc/70/55/19/384705519.db2.gz GDSOTIUETXDIFM-SJORKVTESA-N 2 0 286.419 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534485 384705734 /nfs/dbraw/zinc/70/57/34/384705734.db2.gz VWCFOVMVIGVQFR-IINYFYTJSA-N 2 0 266.335 2.758 20 0 CFADRP C1[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C12CC[NH2+]CC2 ZINC000643533747 384706009 /nfs/dbraw/zinc/70/60/09/384706009.db2.gz CRFUWIGWBFFYHN-CGAUPDFVSA-N 2 0 260.425 2.543 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535043 384707165 /nfs/dbraw/zinc/70/71/65/384707165.db2.gz ICZOFGVXMXJOOV-UHOFOFEASA-N 2 0 256.393 2.652 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534634 384707962 /nfs/dbraw/zinc/70/79/62/384707962.db2.gz ZEJXRPKMLNLHBG-CJNGLKHVSA-N 2 0 274.408 2.796 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000643535357 384709080 /nfs/dbraw/zinc/70/90/80/384709080.db2.gz CFEUBLYQQPKHLO-QSPRXWTASA-N 2 0 270.420 2.910 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000643535702 384709341 /nfs/dbraw/zinc/70/93/41/384709341.db2.gz HTFLQOBBVRLHIX-XJKSGUPXSA-N 2 0 274.408 2.796 20 0 CFADRP c1ccc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643535447 384709438 /nfs/dbraw/zinc/70/94/38/384709438.db2.gz MNRORNOUHSXFDL-JKSUJKDBSA-N 2 0 256.393 2.869 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1N(C)C ZINC000643536021 384709446 /nfs/dbraw/zinc/70/94/46/384709446.db2.gz QMERFMZCCQDQAS-BLLLJJGKSA-N 2 0 291.414 2.684 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535376 384709472 /nfs/dbraw/zinc/70/94/72/384709472.db2.gz CUKUEMKGRGZGIN-ZFWWWQNUSA-N 2 0 290.382 2.553 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535429 384709531 /nfs/dbraw/zinc/70/95/31/384709531.db2.gz MGHWZDLJJAVLTI-CKEIUWERSA-N 2 0 288.435 2.919 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000643536143 384710733 /nfs/dbraw/zinc/71/07/33/384710733.db2.gz RJDKSFMYYOAVRQ-HOTGVXAUSA-N 2 0 274.408 2.878 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)C2)c1 ZINC000643536890 384714464 /nfs/dbraw/zinc/71/44/64/384714464.db2.gz XXGWMJPGWWEWMS-DJIMGWMZSA-N 2 0 285.435 2.840 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000269036529 384714728 /nfs/dbraw/zinc/71/47/28/384714728.db2.gz SOZXPNYLSMIITQ-ZDUSSCGKSA-N 2 0 281.419 2.884 20 0 CFADRP COc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000269123757 384728395 /nfs/dbraw/zinc/72/83/95/384728395.db2.gz AYTZIWUSMKABFL-GOEBONIOSA-N 2 0 292.398 2.750 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CS1 ZINC000638606536 384779056 /nfs/dbraw/zinc/77/90/56/384779056.db2.gz ZKXMWOUNMBWUQA-UPJWGTAASA-N 2 0 258.475 2.836 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](CC)[NH+](CC)CC)c1 ZINC000269192498 384734870 /nfs/dbraw/zinc/73/48/70/384734870.db2.gz RVTAJOATBDIUHP-INIZCTEOSA-N 2 0 291.439 2.855 20 0 CFADRP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000414180081 533087650 /nfs/dbraw/zinc/08/76/50/533087650.db2.gz LJLIYBZNTOPQJJ-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000638562297 384742173 /nfs/dbraw/zinc/74/21/73/384742173.db2.gz BBMSTIWPNIHVMW-QGZVFWFLSA-N 2 0 276.424 2.653 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@](C)(CC)OC)CC1 ZINC000638564594 384744480 /nfs/dbraw/zinc/74/44/80/384744480.db2.gz GWAKGFZJXBJUPR-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000638692006 384837828 /nfs/dbraw/zinc/83/78/28/384837828.db2.gz AKIKMOKFBHTOEK-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccncc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000269568536 384789625 /nfs/dbraw/zinc/78/96/25/384789625.db2.gz AEBISNQJWYYCNG-MRXNPFEDSA-N 2 0 261.413 2.696 20 0 CFADRP CO[C@](C)(C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000638635221 384798380 /nfs/dbraw/zinc/79/83/80/384798380.db2.gz SREUVJQQQVWJSB-QGZVFWFLSA-N 2 0 294.414 2.792 20 0 CFADRP CC[C@@](C)(C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)OC ZINC000638634574 384798467 /nfs/dbraw/zinc/79/84/67/384798467.db2.gz NUHHDIFMIBGXNZ-INIZCTEOSA-N 2 0 282.403 2.792 20 0 CFADRP CCOC1CC(C[NH2+]CCC[NH+](C(C)C)C(C)C)C1 ZINC000638733217 384875885 /nfs/dbraw/zinc/87/58/85/384875885.db2.gz GRYDBSKODACNPK-UHFFFAOYSA-N 2 0 270.461 2.900 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638692709 384838496 /nfs/dbraw/zinc/83/84/96/384838496.db2.gz LEQDMNBAHIZIID-TZMCWYRMSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)[C@H]1CC1(F)F ZINC000638700755 384848006 /nfs/dbraw/zinc/84/80/06/384848006.db2.gz KTBJADGYNZGWIQ-OFIBSPLFSA-N 2 0 258.356 2.635 20 0 CFADRP Cn1ccnc1C[C@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000638700808 384848168 /nfs/dbraw/zinc/84/81/68/384848168.db2.gz RPBVSNVAIHLDCK-HNNXBMFYSA-N 2 0 298.415 2.950 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820040 384952930 /nfs/dbraw/zinc/95/29/30/384952930.db2.gz PDZZXPDYMURELB-MRXNPFEDSA-N 2 0 297.487 2.619 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000644523646 384918318 /nfs/dbraw/zinc/91/83/18/384918318.db2.gz IBKDNOSKKRXHLC-OWCLPIDISA-N 2 0 290.451 2.635 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000638787809 384919450 /nfs/dbraw/zinc/91/94/50/384919450.db2.gz GTIZKBNYKIZEDJ-RBSFLKMASA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000644562353 384935992 /nfs/dbraw/zinc/93/59/92/384935992.db2.gz XJMVMHZMKACFGR-OAHLLOKOSA-N 2 0 276.424 2.533 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC1(F)F ZINC000638836958 384968368 /nfs/dbraw/zinc/96/83/68/384968368.db2.gz MQJCWPYXMSKZKP-SWLSCSKDSA-N 2 0 295.377 2.931 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC1(F)F ZINC000638836957 384968617 /nfs/dbraw/zinc/96/86/17/384968617.db2.gz MQJCWPYXMSKZKP-IUODEOHRSA-N 2 0 295.377 2.931 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000638850387 384985054 /nfs/dbraw/zinc/98/50/54/384985054.db2.gz DYTOLDMQZTXVKJ-UHFFFAOYSA-N 2 0 284.403 2.530 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000638852054 384987045 /nfs/dbraw/zinc/98/70/45/384987045.db2.gz UXBKXHZNPVMSIF-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(F)c1 ZINC000638917727 385030061 /nfs/dbraw/zinc/03/00/61/385030061.db2.gz HRPSFCQOOIPNQZ-CZUORRHYSA-N 2 0 262.372 2.660 20 0 CFADRP Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(F)c1 ZINC000638917725 385030519 /nfs/dbraw/zinc/03/05/19/385030519.db2.gz HRPSFCQOOIPNQZ-BBRMVZONSA-N 2 0 262.372 2.660 20 0 CFADRP CCC[C@@H](C[NH2+]CC[C@@H](C)[NH+]1CCCCC1)OC ZINC000639039007 385112280 /nfs/dbraw/zinc/11/22/80/385112280.db2.gz XXUCKTCMAZXGIX-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270485505 385120860 /nfs/dbraw/zinc/12/08/60/385120860.db2.gz OPTRWCOYKZIGQU-KRWDZBQOSA-N 2 0 288.435 2.859 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1O ZINC000639095318 385182333 /nfs/dbraw/zinc/18/23/33/385182333.db2.gz ZLWSVWOKSDFLKA-HOCLYGCPSA-N 2 0 276.424 2.624 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000639102828 385194585 /nfs/dbraw/zinc/19/45/85/385194585.db2.gz MFMVSDMPVGDUBU-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000639080506 385159619 /nfs/dbraw/zinc/15/96/19/385159619.db2.gz BDGLAGZPRTUMID-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@@H](C)[C@@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639082041 385161788 /nfs/dbraw/zinc/16/17/88/385161788.db2.gz NUVGBIXWUOUHCZ-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000639199108 385317202 /nfs/dbraw/zinc/31/72/02/385317202.db2.gz VVTPXGNYRGAJDZ-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@@H](C)[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639163884 385267522 /nfs/dbraw/zinc/26/75/22/385267522.db2.gz XYMDCGSVQOESQL-JDOFQRQTSA-N 2 0 268.445 2.605 20 0 CFADRP CC[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282480608 385322784 /nfs/dbraw/zinc/32/27/84/385322784.db2.gz LPKYNFWSXYSEQL-DLBZAZTESA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc2ccccc2n1C ZINC000639178141 385289552 /nfs/dbraw/zinc/28/95/52/385289552.db2.gz IQQNSHSJYPFQER-RHSMWYFYSA-N 2 0 285.435 2.950 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000639203832 385323528 /nfs/dbraw/zinc/32/35/28/385323528.db2.gz GROOMRSLXJSVQV-SHTZXODSSA-N 2 0 282.472 2.780 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[N@H+](C)C1CC1)C1CCCC1 ZINC000639243854 385374733 /nfs/dbraw/zinc/37/47/33/385374733.db2.gz DIHVMWAKYYKCOW-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CCCC1 ZINC000639257000 385386278 /nfs/dbraw/zinc/38/62/78/385386278.db2.gz OYRUBUMRASZTEJ-MRXNPFEDSA-N 2 0 273.380 2.629 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639257271 385386532 /nfs/dbraw/zinc/38/65/32/385386532.db2.gz LFLDOAXRTLYVLM-FPCVCCKLSA-N 2 0 250.430 2.744 20 0 CFADRP CO[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000639257037 385387172 /nfs/dbraw/zinc/38/71/72/385387172.db2.gz PXTXZULANKWWGG-SFHVURJKSA-N 2 0 295.386 2.682 20 0 CFADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1C[NH+](C)C ZINC000639258349 385387581 /nfs/dbraw/zinc/38/75/81/385387581.db2.gz GZBREJZGRZRBNR-PBHICJAKSA-N 2 0 275.440 2.951 20 0 CFADRP C[C@H]1C[C@H](Nc2ccc(C[NH+](C)C)cc2F)CC[N@@H+]1C ZINC000639263594 385392363 /nfs/dbraw/zinc/39/23/63/385392363.db2.gz XANBAQVPFVHPGB-GXTWGEPZSA-N 2 0 279.403 2.782 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000282828091 385395356 /nfs/dbraw/zinc/39/53/56/385395356.db2.gz SCLZSIXXLKYFPS-HOTGVXAUSA-N 2 0 283.419 2.927 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271912441 385399243 /nfs/dbraw/zinc/39/92/43/385399243.db2.gz YFGLOQXIKJCIGD-AWEZNQCLSA-N 2 0 276.399 2.998 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271919228 385400252 /nfs/dbraw/zinc/40/02/52/385400252.db2.gz ZPPOJURAQCFOAK-CYBMUJFWSA-N 2 0 260.381 2.608 20 0 CFADRP C[NH+](C)C[C@H](NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000282943514 385414312 /nfs/dbraw/zinc/41/43/12/385414312.db2.gz BKOYCXFMGNXESN-INIZCTEOSA-N 2 0 295.858 2.627 20 0 CFADRP Cc1cc(C)cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000639311131 385437718 /nfs/dbraw/zinc/43/77/18/385437718.db2.gz ZYDCACIYYHPFNN-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccccc43)[C@H]2C1 ZINC000272209597 385474721 /nfs/dbraw/zinc/47/47/21/385474721.db2.gz PZEJLOHLFNVQGN-GUYCJALGSA-N 2 0 267.376 2.765 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)[C@H]1CC1(F)F ZINC000639351907 385475523 /nfs/dbraw/zinc/47/55/23/385475523.db2.gz LTZWNDJZWJOXDR-CYZMBNFOSA-N 2 0 258.356 2.637 20 0 CFADRP CC[C@@](C)(C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335805 385461306 /nfs/dbraw/zinc/46/13/06/385461306.db2.gz XTOYQMJJSZJMNZ-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000639338047 385463636 /nfs/dbraw/zinc/46/36/36/385463636.db2.gz RURCZLCCLJZETP-DOTOQJQBSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(c2cc(C)nc(CC)n2)C1 ZINC000283780541 385498703 /nfs/dbraw/zinc/49/87/03/385498703.db2.gz QFTLZJDEGZPROD-CQSZACIVSA-N 2 0 276.428 2.516 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)nc(CC)n2)C1 ZINC000283780539 385499039 /nfs/dbraw/zinc/49/90/39/385499039.db2.gz QFTLZJDEGZPROD-AWEZNQCLSA-N 2 0 276.428 2.516 20 0 CFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC3CC3)cc2)CC1 ZINC000283817905 385502950 /nfs/dbraw/zinc/50/29/50/385502950.db2.gz CJAPNUBKOYTHAY-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000337457391 285178884 /nfs/dbraw/zinc/17/88/84/285178884.db2.gz JMSGYBYCXQFXEA-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423387438 285179221 /nfs/dbraw/zinc/17/92/21/285179221.db2.gz MUIWTJYGBKGVPE-PBHICJAKSA-N 2 0 274.408 2.585 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000639497440 385561873 /nfs/dbraw/zinc/56/18/73/385561873.db2.gz KYBCRTXDQBQIFO-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286195342 385569909 /nfs/dbraw/zinc/56/99/09/385569909.db2.gz RKKZGIHUDCTMFW-AEFFLSMTSA-N 2 0 289.467 2.672 20 0 CFADRP CN(c1ccnc2ccncc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286215049 385572563 /nfs/dbraw/zinc/57/25/63/385572563.db2.gz BTAMLADHYOESGF-PBWFPOADSA-N 2 0 282.391 2.691 20 0 CFADRP COCC1(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423134309 533130502 /nfs/dbraw/zinc/13/05/02/533130502.db2.gz LVRWTEXAZDNTJS-HOTGVXAUSA-N 2 0 274.408 2.928 20 0 CFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCC[NH3+])cc1 ZINC000423335954 533130523 /nfs/dbraw/zinc/13/05/23/533130523.db2.gz UKIUMBHOZZHCIB-GOSISDBHSA-N 2 0 299.418 2.703 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH3+])c2ccccc2)cc1 ZINC000423301362 533131327 /nfs/dbraw/zinc/13/13/27/533131327.db2.gz FUDVAPXYNIIXHI-KSSFIOAISA-N 2 0 284.403 2.969 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000423239229 533132407 /nfs/dbraw/zinc/13/24/07/533132407.db2.gz BCFCLTGVVDHKTH-YOEHRIQHSA-N 2 0 276.424 2.982 20 0 CFADRP CCc1cc(NCCCCn2ccnc2C)nc(C)n1 ZINC000272839103 385629908 /nfs/dbraw/zinc/62/99/08/385629908.db2.gz IIKUKSOIENIUCH-UHFFFAOYSA-N 2 0 273.384 2.745 20 0 CFADRP C[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288715475 197150917 /nfs/dbraw/zinc/15/09/17/197150917.db2.gz ZNOMVYFJYMVOBB-HOCLYGCPSA-N 2 0 291.439 2.690 20 0 CFADRP FC(F)(F)CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683268 385659234 /nfs/dbraw/zinc/65/92/34/385659234.db2.gz UUVYUHGXKASVTF-UHFFFAOYSA-N 2 0 273.302 2.546 20 0 CFADRP CC/C=C\CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683698 385659580 /nfs/dbraw/zinc/65/95/80/385659580.db2.gz MDPKSMWRGHLANR-ARJAWSKDSA-N 2 0 259.397 2.950 20 0 CFADRP Fc1ccccc1CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684759 385660472 /nfs/dbraw/zinc/66/04/72/385660472.db2.gz XUFSSLSZGWWCPV-UHFFFAOYSA-N 2 0 299.393 2.976 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCCCC1 ZINC000423137546 533142257 /nfs/dbraw/zinc/14/22/57/533142257.db2.gz HZXYWDCPGUKABC-GJZGRUSLSA-N 2 0 268.445 2.690 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639754528 385696047 /nfs/dbraw/zinc/69/60/47/385696047.db2.gz BXCRSXMUJKQHDV-KRWDZBQOSA-N 2 0 288.435 2.792 20 0 CFADRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000639754551 385696186 /nfs/dbraw/zinc/69/61/86/385696186.db2.gz CEJCMAKLHTZZRE-IAGOWNOFSA-N 2 0 270.420 2.960 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758002 385698233 /nfs/dbraw/zinc/69/82/33/385698233.db2.gz QSSXVIQGKNZWRG-CQSZACIVSA-N 2 0 259.397 2.560 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC000639757374 385698287 /nfs/dbraw/zinc/69/82/87/385698287.db2.gz KABVUBPNKUMCRO-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639759788 385699523 /nfs/dbraw/zinc/69/95/23/385699523.db2.gz JOQXCBFECGJWKV-ZDUSSCGKSA-N 2 0 292.427 2.672 20 0 CFADRP FCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000639989486 385809540 /nfs/dbraw/zinc/80/95/40/385809540.db2.gz HLRPIGNJAGRWCB-UHFFFAOYSA-N 2 0 256.409 2.934 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000274752694 385864194 /nfs/dbraw/zinc/86/41/94/385864194.db2.gz BHWJSQULRCPDKW-RKVPGOIHSA-N 2 0 290.451 2.910 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274819531 385878235 /nfs/dbraw/zinc/87/82/35/385878235.db2.gz BLTXCDSSDRHUGC-JSGCOSHPSA-N 2 0 299.846 2.742 20 0 CFADRP Cc1ccsc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000275224546 385959320 /nfs/dbraw/zinc/95/93/20/385959320.db2.gz DEJCHONCTACDFB-CHWSQXEVSA-N 2 0 252.427 2.829 20 0 CFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CCC[NH3+] ZINC000123282670 413011434 /nfs/dbraw/zinc/01/14/34/413011434.db2.gz UKROPNHZEBPPLK-SNVBAGLBSA-N 2 0 276.302 2.927 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(CO)c1 ZINC000276979030 386097306 /nfs/dbraw/zinc/09/73/06/386097306.db2.gz YWFSJPWXMJYQTG-OAHLLOKOSA-N 2 0 290.451 2.952 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)CC1 ZINC000277083142 386125864 /nfs/dbraw/zinc/12/58/64/386125864.db2.gz FLEDYRVHQGQEOB-KRWDZBQOSA-N 2 0 288.435 2.580 20 0 CFADRP COC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000158209205 285235149 /nfs/dbraw/zinc/23/51/49/285235149.db2.gz ACPXHMXDVYSGOU-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000423278572 533175806 /nfs/dbraw/zinc/17/58/06/533175806.db2.gz QWNPHUKCSBJKRG-IPYPFGDCSA-N 2 0 294.439 2.769 20 0 CFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423313605 533189036 /nfs/dbraw/zinc/18/90/36/533189036.db2.gz WZUCTKATLNQFDH-KDOFPFPSSA-N 2 0 299.418 2.558 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000093515963 184686579 /nfs/dbraw/zinc/68/65/79/184686579.db2.gz NSIXCHLMSOZLPS-IAGOWNOFSA-N 2 0 281.488 2.763 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129071884 413027677 /nfs/dbraw/zinc/02/76/77/413027677.db2.gz QTBORVVDGBIIBB-UKRRQHHQSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CCCCC1 ZINC000130841406 413031149 /nfs/dbraw/zinc/03/11/49/413031149.db2.gz LIXPFMGDUQWODD-JKSUJKDBSA-N 2 0 282.472 2.830 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000393835129 262237660 /nfs/dbraw/zinc/23/76/60/262237660.db2.gz MXNXHENBXVBFHA-FQUUOJAGSA-N 2 0 268.470 2.781 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000682404232 542547985 /nfs/dbraw/zinc/54/79/85/542547985.db2.gz CRAKEMZJOSLVLH-CHWSQXEVSA-N 2 0 284.325 2.665 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC(CC)(CC)CC)C2)CC1 ZINC000360679899 285337345 /nfs/dbraw/zinc/33/73/45/285337345.db2.gz ITDZHAUAUBRZBT-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP COc1cccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)n1 ZINC001243100142 781988543 /nfs/dbraw/zinc/98/85/43/781988543.db2.gz WQWNDDGAZKTTJX-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP c1c2ccccc2[nH]c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001243108296 781992648 /nfs/dbraw/zinc/99/26/48/781992648.db2.gz RZAMHIRJQNVFSU-UHFFFAOYSA-N 2 0 278.359 2.640 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000163881485 542575585 /nfs/dbraw/zinc/57/55/85/542575585.db2.gz IIXUDVZPHDZOEE-MRXNPFEDSA-N 3 0 283.504 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(C)C)OC)[C@@H](C)C1 ZINC000419222584 285397253 /nfs/dbraw/zinc/39/72/53/285397253.db2.gz KUILXGRPIYCJAV-JYJNAYRXSA-N 2 0 270.461 2.710 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000414839103 533266446 /nfs/dbraw/zinc/26/64/46/533266446.db2.gz LUFYYYFZDZQZPS-YOEHRIQHSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000423324189 533296876 /nfs/dbraw/zinc/29/68/76/533296876.db2.gz IPFQUIFHSFNJBV-MRXNPFEDSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000423209875 533300986 /nfs/dbraw/zinc/30/09/86/533300986.db2.gz FOBOZABDCHGKQW-DXCKQFNASA-N 2 0 274.408 2.660 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1-n1cccn1 ZINC000422885803 533341041 /nfs/dbraw/zinc/34/10/41/533341041.db2.gz HEZLIRIGYNPSFU-JZWPEALZSA-N 2 0 296.418 2.806 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414808194 533388343 /nfs/dbraw/zinc/38/83/43/533388343.db2.gz RXWWIHMMQKUYNG-UKRRQHHQSA-N 2 0 262.397 2.611 20 0 CFADRP COc1ccc2oc(C[NH2+]CC3(C)CC[NH2+]CC3)cc2c1 ZINC000414914223 533356105 /nfs/dbraw/zinc/35/61/05/533356105.db2.gz XPVNSRKQVJDZFD-UHFFFAOYSA-N 2 0 288.391 2.921 20 0 CFADRP COc1ccc2oc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2c1 ZINC000414826173 533356182 /nfs/dbraw/zinc/35/61/82/533356182.db2.gz DXXXFNSOYKDZHZ-GFCCVEGCSA-N 2 0 274.364 2.531 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414808195 533389282 /nfs/dbraw/zinc/38/92/82/533389282.db2.gz RXWWIHMMQKUYNG-ZFWWWQNUSA-N 2 0 262.397 2.611 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422949156 533365463 /nfs/dbraw/zinc/36/54/63/533365463.db2.gz UFISVFYZPMLZBS-STQMWFEESA-N 2 0 264.413 2.688 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000423347814 533366645 /nfs/dbraw/zinc/36/66/45/533366645.db2.gz RGBISKQPRYNCSZ-CYBMUJFWSA-N 2 0 267.376 2.805 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCCCC1 ZINC000177298523 533367407 /nfs/dbraw/zinc/36/74/07/533367407.db2.gz PXRSVNLVOVVWMH-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422782585 533386429 /nfs/dbraw/zinc/38/64/29/533386429.db2.gz JUFLESJCDXOANG-BFYDXBDKSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000429589140 533328322 /nfs/dbraw/zinc/32/83/22/533328322.db2.gz MEYBJDRTCYCMNK-IIYDPXPESA-N 2 0 297.402 2.981 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423261416 533402289 /nfs/dbraw/zinc/40/22/89/533402289.db2.gz SGGNELSQYVYTEG-ZIAGYGMSSA-N 2 0 293.430 2.932 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000422833367 533403987 /nfs/dbraw/zinc/40/39/87/533403987.db2.gz GOSQZMKLUQVJEW-ABAIWWIYSA-N 2 0 275.371 2.580 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422730117 533475930 /nfs/dbraw/zinc/47/59/30/533475930.db2.gz DGWCXXOWISFWGY-YOEHRIQHSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422809554 533495512 /nfs/dbraw/zinc/49/55/12/533495512.db2.gz SBWUWBSTYXHTSM-ZJUUUORDSA-N 2 0 270.323 2.547 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cnn(C2CCCC2)c1 ZINC000423456748 533497335 /nfs/dbraw/zinc/49/73/35/533497335.db2.gz OFVJMPXNPCPWGR-QWHCGFSZSA-N 2 0 264.417 2.776 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(Cl)c1 ZINC000422887848 533499250 /nfs/dbraw/zinc/49/92/50/533499250.db2.gz LNVHLVTULNZIRU-MLGOLLRUSA-N 2 0 296.842 2.869 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1O ZINC000426423598 533507351 /nfs/dbraw/zinc/50/73/51/533507351.db2.gz ZFNZSNMMEJHTDO-ZIAGYGMSSA-N 2 0 294.439 2.652 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414878263 533579729 /nfs/dbraw/zinc/57/97/29/533579729.db2.gz GXJDLFRQIQNHIU-NSHDSACASA-N 2 0 292.814 2.567 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422811715 533532354 /nfs/dbraw/zinc/53/23/54/533532354.db2.gz WJIWBKKKTAQVOI-NXEZZACHSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422819664 533538567 /nfs/dbraw/zinc/53/85/67/533538567.db2.gz ISSNNLZHGOSIQS-HNNXBMFYSA-N 2 0 286.423 2.522 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000422765774 533539680 /nfs/dbraw/zinc/53/96/80/533539680.db2.gz REXULBNFDOWVKP-RYUDHWBXSA-N 2 0 286.366 2.839 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422730343 533553714 /nfs/dbraw/zinc/55/37/14/533553714.db2.gz JQJZFYAREAYSHU-UONOGXRCSA-N 2 0 281.469 2.602 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422901119 533554104 /nfs/dbraw/zinc/55/41/04/533554104.db2.gz BPZJDSOCAMRTKY-LBPRGKRZSA-N 2 0 281.469 2.672 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000422948179 533554716 /nfs/dbraw/zinc/55/47/16/533554716.db2.gz ZYUBTNRKWYREKN-STQMWFEESA-N 2 0 278.396 2.626 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422781941 533554937 /nfs/dbraw/zinc/55/49/37/533554937.db2.gz FRECVSBWGKNXNP-INIZCTEOSA-N 3 0 289.467 2.890 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000422852800 533608126 /nfs/dbraw/zinc/60/81/26/533608126.db2.gz BIJWNVXOBGKWCP-QWHCGFSZSA-N 2 0 280.412 2.790 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423246849 533612784 /nfs/dbraw/zinc/61/27/84/533612784.db2.gz KJLMHZSRYOIRTR-UONOGXRCSA-N 2 0 292.423 2.662 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422915957 533657958 /nfs/dbraw/zinc/65/79/58/533657958.db2.gz CAWGDQDYCXGDIV-IRXDYDNUSA-N 2 0 292.423 2.714 20 0 CFADRP Cc1ccc2[nH]c(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)nc2c1 ZINC000341984994 130175418 /nfs/dbraw/zinc/17/54/18/130175418.db2.gz YRKXZELBYDSNMP-GZBFAFLISA-N 2 0 286.423 2.690 20 0 CFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC000682997292 542624347 /nfs/dbraw/zinc/62/43/47/542624347.db2.gz JYSZOTLMOLJWBL-QGZVFWFLSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1ccc(SCC[NH2+]CC2([NH3+])CCC2)cc1C ZINC000342135882 130293867 /nfs/dbraw/zinc/29/38/67/130293867.db2.gz LQJCXDKVQZTRQJ-UHFFFAOYSA-N 2 0 264.438 2.867 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423253534 285458665 /nfs/dbraw/zinc/45/86/65/285458665.db2.gz WBQDAXQWYGYZSJ-AAEUAGOBSA-N 2 0 250.411 2.715 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(C)cc2)CC[NH+](C)CC1 ZINC000353197474 130597286 /nfs/dbraw/zinc/59/72/86/130597286.db2.gz WJABXBISFZPEEH-UHFFFAOYSA-N 2 0 278.465 2.912 20 0 CFADRP CC[NH+]1CCC(c2ccc(C3=CC[NH2+]C3)cc2)CC1 ZINC001243115500 781995304 /nfs/dbraw/zinc/99/53/04/781995304.db2.gz MVGYJIIJZRQZAR-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683723045 542715959 /nfs/dbraw/zinc/71/59/59/542715959.db2.gz MQOVEIIXVSEGBE-KRWDZBQOSA-N 2 0 288.435 2.712 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000268743403 132059830 /nfs/dbraw/zinc/05/98/30/132059830.db2.gz DTTGNXJYLPBELI-UHFFFAOYSA-N 2 0 298.434 2.505 20 0 CFADRP CCC[NH+]1CCC(NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000164855003 542728353 /nfs/dbraw/zinc/72/83/53/542728353.db2.gz ITWSXLMBFVIUKK-KRWDZBQOSA-N 2 0 281.488 2.715 20 0 CFADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268984181 132096176 /nfs/dbraw/zinc/09/61/76/132096176.db2.gz DSWOUMYISMRISD-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683927477 542745559 /nfs/dbraw/zinc/74/55/59/542745559.db2.gz WSNNMPKLWGXRQF-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CCSC1)CC2)C1CC1 ZINC000373327613 393465898 /nfs/dbraw/zinc/46/58/98/393465898.db2.gz HTFVARDXHOPWES-GJZGRUSLSA-N 2 0 294.508 2.936 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179467166 393466844 /nfs/dbraw/zinc/46/68/44/393466844.db2.gz BTDYBEXNZFTJKN-JYJNAYRXSA-N 2 0 291.439 2.622 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000181745810 393500036 /nfs/dbraw/zinc/50/00/36/393500036.db2.gz SJPJWVODIVANIQ-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000374775275 393502427 /nfs/dbraw/zinc/50/24/27/393502427.db2.gz CUSDWIJVBAFQQN-KFWWJZLASA-N 2 0 268.470 2.544 20 0 CFADRP CC(C)C(C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000314004302 393525223 /nfs/dbraw/zinc/52/52/23/393525223.db2.gz UCVGFVAQXICLNS-GOSISDBHSA-N 2 0 297.531 2.776 20 0 CFADRP CC[NH+]1CCC(Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000037068848 393526735 /nfs/dbraw/zinc/52/67/35/393526735.db2.gz JPMZIVABLHPYFJ-UHFFFAOYSA-N 2 0 291.439 2.523 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)C1CCSCC1 ZINC000186948627 393551067 /nfs/dbraw/zinc/55/10/67/393551067.db2.gz GIPNTWXEALPJHL-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1csc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000379155486 393551356 /nfs/dbraw/zinc/55/13/56/393551356.db2.gz WQPKFNWJFGCJSK-GFCCVEGCSA-N 2 0 252.427 2.876 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000684425447 542806872 /nfs/dbraw/zinc/80/68/72/542806872.db2.gz PXGQIPNBCCDKGE-LBDPXKHJSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000684388877 542798490 /nfs/dbraw/zinc/79/84/90/542798490.db2.gz ILFOIPCSJUPNJV-IAGOWNOFSA-N 2 0 276.424 2.795 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H](C)c1ccccc1F ZINC000383746439 393576062 /nfs/dbraw/zinc/57/60/62/393576062.db2.gz LKVQDYYOSRFRGJ-KGLIPLIRSA-N 2 0 282.403 2.520 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000382965300 393572563 /nfs/dbraw/zinc/57/25/63/393572563.db2.gz ZAHUOQUHJFXUFV-HOCLYGCPSA-N 2 0 269.392 2.794 20 0 CFADRP CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000165319992 542820568 /nfs/dbraw/zinc/82/05/68/542820568.db2.gz FOCZURUITRKQOE-XJKSGUPXSA-N 2 0 294.439 2.849 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401108019 393602983 /nfs/dbraw/zinc/60/29/83/393602983.db2.gz FTLZEZCYPMTXNR-SFDCQRBFSA-N 2 0 292.398 2.873 20 0 CFADRP COCC[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000384352564 393578852 /nfs/dbraw/zinc/57/88/52/393578852.db2.gz CEQVBGAGOWOVDW-UHFFFAOYSA-N 2 0 290.451 2.915 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000191778589 393607484 /nfs/dbraw/zinc/60/74/84/393607484.db2.gz UXKNJGGLPREDPD-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403325947 393612354 /nfs/dbraw/zinc/61/23/54/393612354.db2.gz CXPLKUBVAYKLQW-LVQVYYBASA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000192170836 393615520 /nfs/dbraw/zinc/61/55/20/393615520.db2.gz KJRNQZDOXWQWLC-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000051692751 393617388 /nfs/dbraw/zinc/61/73/88/393617388.db2.gz SLAWNLMZBBEVMD-UHFFFAOYSA-N 2 0 289.242 2.870 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000051693022 393617551 /nfs/dbraw/zinc/61/75/51/393617551.db2.gz NMGGEAINMBXQIL-UHFFFAOYSA-N 2 0 283.213 2.809 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC3 ZINC000334838307 393624689 /nfs/dbraw/zinc/62/46/89/393624689.db2.gz SRZISNMIYHSOGW-LSDHHAIUSA-N 2 0 297.446 2.923 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC[NH2+]CC1 ZINC000335026739 393635756 /nfs/dbraw/zinc/63/57/56/393635756.db2.gz YRFCIIMEBYROIA-MRXNPFEDSA-N 2 0 274.408 2.749 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+][C@H]1CCN(C3CCCC3)C1)CC2 ZINC000335035817 393636303 /nfs/dbraw/zinc/63/63/03/393636303.db2.gz ZXMMSGKFKFNDGH-SJORKVTESA-N 2 0 299.462 2.936 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335044186 393637415 /nfs/dbraw/zinc/63/74/15/393637415.db2.gz XQPDMWDTZJUIBM-GDBMZVCRSA-N 2 0 262.372 2.935 20 0 CFADRP C[C@H]([NH2+]C1CCc2ccccc2CC1)[C@H]1CCC[NH2+]C1 ZINC000335178836 393649312 /nfs/dbraw/zinc/64/93/12/393649312.db2.gz LMIONHNNCPTSOI-YOEHRIQHSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000336440392 393735487 /nfs/dbraw/zinc/73/54/87/393735487.db2.gz VZELGEMKWVXTDB-DGCLKSJQSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]1CC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)C1 ZINC000084468504 393748426 /nfs/dbraw/zinc/74/84/26/393748426.db2.gz WODGFCCVEIPTGR-MCIONIFRSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(C)C ZINC000336817270 393750527 /nfs/dbraw/zinc/75/05/27/393750527.db2.gz PMWNQBVKWMHWKR-SOUVJXGZSA-N 2 0 270.461 2.613 20 0 CFADRP CC(C)CCOCC[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337084517 393753659 /nfs/dbraw/zinc/75/36/59/393753659.db2.gz YSRJIGQCVNCKKS-ROUUACIJSA-N 2 0 290.451 2.723 20 0 CFADRP C[C@@]1(O)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411327170 393700369 /nfs/dbraw/zinc/70/03/69/393700369.db2.gz IBDFXCFWZCZDQS-GOSISDBHSA-N 2 0 288.435 2.629 20 0 CFADRP Brc1ccsc1CNCC[C@H]1CCC[NH2+]1 ZINC000087576016 393759626 /nfs/dbraw/zinc/75/96/26/393759626.db2.gz QMSLZBAFIYAFPH-SECBINFHSA-N 2 0 289.242 2.742 20 0 CFADRP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411414441 393711400 /nfs/dbraw/zinc/71/14/00/393711400.db2.gz BITGFRUNQXBYFY-MAUKXSAKSA-N 2 0 288.435 2.628 20 0 CFADRP C([C@H]1CCSC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336109471 393718677 /nfs/dbraw/zinc/71/86/77/393718677.db2.gz GZFNBTJVOZIWPG-HUUCEWRRSA-N 2 0 268.470 2.690 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000424336880 393835082 /nfs/dbraw/zinc/83/50/82/393835082.db2.gz RJQQMEWHLGTVSM-ZIAGYGMSSA-N 2 0 268.788 2.578 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000227184339 393771672 /nfs/dbraw/zinc/77/16/72/393771672.db2.gz ZGCPGZGABFCQHX-GXTWGEPZSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000229664168 393777735 /nfs/dbraw/zinc/77/77/35/393777735.db2.gz SUUVTNDPMYBXIV-DOMZBBRYSA-N 2 0 257.381 2.740 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340187097 393836616 /nfs/dbraw/zinc/83/66/16/393836616.db2.gz XSLMMAKIVPOQNY-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340187172 393836888 /nfs/dbraw/zinc/83/68/88/393836888.db2.gz UIJAWUXOJWCDKT-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179838 393837136 /nfs/dbraw/zinc/83/71/36/393837136.db2.gz XXYBFCWRRFZXSZ-QZTJIDSGSA-N 2 0 289.467 2.753 20 0 CFADRP C[C@@H]1SCC[N@H+](CCC[NH3+])[C@H]1c1ccccc1 ZINC000414706013 393802862 /nfs/dbraw/zinc/80/28/62/393802862.db2.gz OFMIXEFCYMCEFW-GXTWGEPZSA-N 2 0 250.411 2.514 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735607 393804348 /nfs/dbraw/zinc/80/43/48/393804348.db2.gz FTVGVXMVBCNTJT-XHSDSOJGSA-N 2 0 290.455 2.818 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424256229 393805506 /nfs/dbraw/zinc/80/55/06/393805506.db2.gz IXNVYRYHSFYEIE-MDBPOYHNSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000414837054 393806606 /nfs/dbraw/zinc/80/66/06/393806606.db2.gz UAZLONOLSFWLGA-IUPXNIOVSA-N 2 0 289.467 2.917 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414940785 393807806 /nfs/dbraw/zinc/80/78/06/393807806.db2.gz KLHZGGKJIDPARR-RHSMWYFYSA-N 2 0 260.425 2.940 20 0 CFADRP COC[C@@]1(C[NH2+]CCCC2CCCCC2)CCC[NH2+]1 ZINC000414954717 393808539 /nfs/dbraw/zinc/80/85/39/393808539.db2.gz LXJKJBQQQKSNGO-INIZCTEOSA-N 2 0 268.445 2.705 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414984967 393809358 /nfs/dbraw/zinc/80/93/58/393809358.db2.gz HEERJTFSXYEWIT-QWHCGFSZSA-N 2 0 271.408 2.661 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000415054478 393811018 /nfs/dbraw/zinc/81/10/18/393811018.db2.gz NNHKOUMOZJOLFA-TWGIBVSRSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415082525 393811143 /nfs/dbraw/zinc/81/11/43/393811143.db2.gz ONDOJFIFBWPVFM-INIZCTEOSA-N 2 0 276.424 2.662 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415080500 393811237 /nfs/dbraw/zinc/81/12/37/393811237.db2.gz LTROBPVQVUPWAJ-QGZVFWFLSA-N 2 0 276.424 2.662 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000415061180 393811362 /nfs/dbraw/zinc/81/13/62/393811362.db2.gz YCYGPQUMEPBAIC-VGAKTEPXSA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)C[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415105094 393811975 /nfs/dbraw/zinc/81/19/75/393811975.db2.gz HSRBBCAVQZATLK-ROUUACIJSA-N 2 0 290.451 2.866 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415137233 393812089 /nfs/dbraw/zinc/81/20/89/393812089.db2.gz YBTQDXZOCIKLJA-OCCSQVGLSA-N 2 0 264.388 2.805 20 0 CFADRP CC(C)([NH3+])C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000415121346 393812607 /nfs/dbraw/zinc/81/26/07/393812607.db2.gz KBAGKHUQDMPQPE-HNNXBMFYSA-N 2 0 258.409 2.993 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415117605 393812742 /nfs/dbraw/zinc/81/27/42/393812742.db2.gz ZSWPDILMRGMJDG-HOTGVXAUSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCOc1cccc(F)c1)CC[NH2+]CC2 ZINC000424283707 393813342 /nfs/dbraw/zinc/81/33/42/393813342.db2.gz BNVWRDGXPFZHMW-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000424300537 393817327 /nfs/dbraw/zinc/81/73/27/393817327.db2.gz WPKSEWHLNCSNGF-HUUCEWRRSA-N 2 0 250.361 2.618 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC000245588903 393817501 /nfs/dbraw/zinc/81/75/01/393817501.db2.gz FODALMHOWFSJAX-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP CS[C@@H]1CCCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245642731 393821134 /nfs/dbraw/zinc/82/11/34/393821134.db2.gz SOOJDQOKHXPLRC-ZIAGYGMSSA-N 2 0 256.459 2.688 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245755091 393827223 /nfs/dbraw/zinc/82/72/23/393827223.db2.gz ZJZLOWABXPYFNG-UONOGXRCSA-N 2 0 258.475 2.934 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC)C2(CC)CC)C1 ZINC000245836666 393829456 /nfs/dbraw/zinc/82/94/56/393829456.db2.gz CSJLALRWKLTOEE-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1CC ZINC000343445655 393885682 /nfs/dbraw/zinc/88/56/82/393885682.db2.gz FJOOCGHVJPJEHN-IYBDPMFKSA-N 2 0 268.445 2.752 20 0 CFADRP CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471005494 393903088 /nfs/dbraw/zinc/90/30/88/393903088.db2.gz KNQHEBKFXJFOGO-CALCHBBNSA-N 2 0 258.409 2.850 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000248162686 393905443 /nfs/dbraw/zinc/90/54/43/393905443.db2.gz SKOMZHMGZDZUAU-KCYZZUKISA-N 2 0 288.435 2.871 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@]1(C)CCCO1 ZINC000340280480 393840885 /nfs/dbraw/zinc/84/08/85/393840885.db2.gz SNCABTVKUUXUNL-XJKSGUPXSA-N 2 0 268.445 2.797 20 0 CFADRP [NH3+]CCCN(c1cccc(F)c1)[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346369731 393928045 /nfs/dbraw/zinc/92/80/45/393928045.db2.gz SEZYLWDGBVTANA-WBVHZDCISA-N 2 0 291.414 2.608 20 0 CFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120021049 393928147 /nfs/dbraw/zinc/92/81/47/393928147.db2.gz MXRPPJTZSVGUPI-CYBMUJFWSA-N 2 0 297.487 2.532 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000472572731 393932653 /nfs/dbraw/zinc/93/26/53/393932653.db2.gz YIYCWWANENUYOH-HRCADAONSA-N 2 0 250.430 2.983 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](CC(C)C)OC)CC1 ZINC000417369532 393951782 /nfs/dbraw/zinc/95/17/82/393951782.db2.gz PKRGYDMXLVHPCP-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1F ZINC000258984422 393946537 /nfs/dbraw/zinc/94/65/37/393946537.db2.gz LHXPEYVQPDHZJR-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000348127449 393947725 /nfs/dbraw/zinc/94/77/25/393947725.db2.gz RYSVRCVPCQVJEY-BZUAXINKSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000261568667 393948557 /nfs/dbraw/zinc/94/85/57/393948557.db2.gz KUSDWAAKXLXGOL-KNXALSJPSA-N 2 0 260.381 2.536 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000121183102 393950266 /nfs/dbraw/zinc/95/02/66/393950266.db2.gz NGJQKYOFJBSYKW-QZTJIDSGSA-N 2 0 295.515 2.985 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000434766867 394017019 /nfs/dbraw/zinc/01/70/19/394017019.db2.gz UTNMGYOOBKCESU-HUUCEWRRSA-N 2 0 282.472 2.636 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000487644389 394017166 /nfs/dbraw/zinc/01/71/66/394017166.db2.gz UEFKKEKQXVYQOM-ZIAGYGMSSA-N 2 0 269.392 2.941 20 0 CFADRP Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000264364720 393967707 /nfs/dbraw/zinc/96/77/07/393967707.db2.gz FEQAMGPJNOQEKP-OAHLLOKOSA-N 2 0 298.434 2.591 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(OC)CCCCC2)C1 ZINC000483289186 393968177 /nfs/dbraw/zinc/96/81/77/393968177.db2.gz LSHJVTOBFMDDHA-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000486947167 393973925 /nfs/dbraw/zinc/97/39/25/393973925.db2.gz UEWOEAIEVDMPLK-ARJAWSKDSA-N 2 0 259.397 2.559 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H]2CCSC2)C1 ZINC000486978818 393977335 /nfs/dbraw/zinc/97/73/35/393977335.db2.gz HTJAHLQAZKKMQG-RBSFLKMASA-N 2 0 270.486 2.697 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000351232971 393983929 /nfs/dbraw/zinc/98/39/29/393983929.db2.gz YEJBZMYQBSIGFF-LSDHHAIUSA-N 2 0 270.486 2.934 20 0 CFADRP CC1CCC([NH+]2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000124049281 393990710 /nfs/dbraw/zinc/99/07/10/393990710.db2.gz JUFKDFAXRCTZFH-ADKAHSJRSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430574504 393995457 /nfs/dbraw/zinc/99/54/57/393995457.db2.gz OCWJNOCAWWJTNU-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574501 393995805 /nfs/dbraw/zinc/99/58/05/393995805.db2.gz OCWJNOCAWWJTNU-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000268964054 393996736 /nfs/dbraw/zinc/99/67/36/393996736.db2.gz YDZZDFGSCHZLBF-FUHWJXTLSA-N 2 0 288.435 2.500 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000430592438 393996857 /nfs/dbraw/zinc/99/68/57/393996857.db2.gz HIAYUZHFONKMPP-BZUAXINKSA-N 2 0 270.461 2.887 20 0 CFADRP C[NH2+][C@@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000430596843 393997704 /nfs/dbraw/zinc/99/77/04/393997704.db2.gz XRDWYUHBKUMIHP-MRXNPFEDSA-N 2 0 284.403 2.902 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000430595291 393998574 /nfs/dbraw/zinc/99/85/74/393998574.db2.gz UCQYRINARWROJB-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@H+](CCOc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000430643670 394001650 /nfs/dbraw/zinc/00/16/50/394001650.db2.gz RPQCVOKDWHPDPU-UHFFFAOYSA-N 2 0 284.403 2.902 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc2)n1 ZINC000430639952 394001951 /nfs/dbraw/zinc/00/19/51/394001951.db2.gz QIEBCVBRNVDYKP-QGZVFWFLSA-N 2 0 298.434 2.660 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000351416888 394002052 /nfs/dbraw/zinc/00/20/52/394002052.db2.gz PVQGDXZPDHYREE-ROUUACIJSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000269075976 394002229 /nfs/dbraw/zinc/00/22/29/394002229.db2.gz YJSGEKUHSMDAEX-YOEHRIQHSA-N 2 0 288.435 2.671 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430948086 394007329 /nfs/dbraw/zinc/00/73/29/394007329.db2.gz DMCYPPQZRNITRE-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000352053982 394010475 /nfs/dbraw/zinc/01/04/75/394010475.db2.gz XZYMJXAZDJFNOK-CVEARBPZSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432360634 394011790 /nfs/dbraw/zinc/01/17/90/394011790.db2.gz AXVZEIAMYAXSTA-GVDBMIGSSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000432789554 394012524 /nfs/dbraw/zinc/01/25/24/394012524.db2.gz SXGOTVVIAMTBPD-ARFHVFGLSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@H](O)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271036315 394015734 /nfs/dbraw/zinc/01/57/34/394015734.db2.gz ROQXFVRPPGDSJC-MSOLQXFVSA-N 2 0 290.451 2.744 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000355164151 394059674 /nfs/dbraw/zinc/05/96/74/394059674.db2.gz YLDZBMPDWZRNRE-QGZVFWFLSA-N 2 0 275.440 2.739 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccccc32)CCCO1 ZINC000278381801 394060828 /nfs/dbraw/zinc/06/08/28/394060828.db2.gz CJRJZNFHCZNTPO-QAPCUYQASA-N 2 0 288.435 2.764 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000128000733 394061307 /nfs/dbraw/zinc/06/13/07/394061307.db2.gz FQDIHUZTXNAYTO-HRCADAONSA-N 2 0 281.488 2.712 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000281967514 394102498 /nfs/dbraw/zinc/10/24/98/394102498.db2.gz NOLFACYCKUDIHT-HNNXBMFYSA-N 2 0 297.446 2.957 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCOC2)C1 ZINC000437703600 394070170 /nfs/dbraw/zinc/07/01/70/394070170.db2.gz WNOOMCOKEWWNSU-KZNAEPCWSA-N 2 0 294.483 2.999 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000437800463 394077038 /nfs/dbraw/zinc/07/70/38/394077038.db2.gz NFQRPAKFPKJJNV-KGLIPLIRSA-N 2 0 252.789 2.915 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000357004569 394083977 /nfs/dbraw/zinc/08/39/77/394083977.db2.gz PWPWXHSAVYCBDR-CVEARBPZSA-N 2 0 282.472 2.855 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000129453851 394088461 /nfs/dbraw/zinc/08/84/61/394088461.db2.gz XBUVIAMFIQLLIT-ARFHVFGLSA-N 2 0 269.477 2.569 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)s1 ZINC000129720244 394093439 /nfs/dbraw/zinc/09/34/39/394093439.db2.gz YEMZJDGASXREEK-CDMKHQONSA-N 2 0 267.442 2.893 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCOC2CCCCC2)CC[N@@H+]1C ZINC000129826887 394094966 /nfs/dbraw/zinc/09/49/66/394094966.db2.gz XPOMHJIRSFJQQS-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP C[NH2+]C[C@H](C)CNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000420205556 394095050 /nfs/dbraw/zinc/09/50/50/394095050.db2.gz PKMHGRNVKCYJML-JTQLQIEISA-N 2 0 277.343 2.650 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000358186069 394097157 /nfs/dbraw/zinc/09/71/57/394097157.db2.gz IHYIQAOHLHCTJL-VBNZEHGJSA-N 2 0 296.842 2.957 20 0 CFADRP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)S1 ZINC000211954145 542874759 /nfs/dbraw/zinc/87/47/59/542874759.db2.gz XCZOHUAGKCIRGT-BETUJISGSA-N 2 0 276.449 2.658 20 0 CFADRP CCc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2[nH+]1 ZINC000420252131 394105749 /nfs/dbraw/zinc/10/57/49/394105749.db2.gz AHIBVNVZJHVGQA-KBPBESRZSA-N 2 0 281.403 2.843 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCCCC(F)(F)F ZINC000420271939 394111987 /nfs/dbraw/zinc/11/19/87/394111987.db2.gz KYXAOFWHEHHEBD-QWRGUYRKSA-N 2 0 252.324 2.921 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cncs2)CC1 ZINC000130584980 394114189 /nfs/dbraw/zinc/11/41/89/394114189.db2.gz KNXDDZZWRNTBSL-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP CC(C)c1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C(C)C)n1 ZINC000420279254 394114629 /nfs/dbraw/zinc/11/46/29/394114629.db2.gz PBQIFWXCUGBIQJ-OCCSQVGLSA-N 2 0 274.412 2.522 20 0 CFADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(Cl)c(F)c1)C1CC1 ZINC000420281741 394115767 /nfs/dbraw/zinc/11/57/67/394115767.db2.gz AIYFMURTSFOJOD-CQSZACIVSA-N 2 0 286.778 2.575 20 0 CFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(Cl)c(F)c1)C1CC1 ZINC000420281739 394116037 /nfs/dbraw/zinc/11/60/37/394116037.db2.gz AIYFMURTSFOJOD-AWEZNQCLSA-N 2 0 286.778 2.575 20 0 CFADRP CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420381541 394118245 /nfs/dbraw/zinc/11/82/45/394118245.db2.gz XQFWDRANAXSSCH-NSHDSACASA-N 2 0 280.416 2.664 20 0 CFADRP Fc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420356200 394118434 /nfs/dbraw/zinc/11/84/34/394118434.db2.gz GCULKBCZBPGJGT-CYBMUJFWSA-N 2 0 262.372 2.574 20 0 CFADRP CC(C)[N@@H+](CCc1nccs1)CC[C@@H]1CCC[NH2+]C1 ZINC000420353017 394118591 /nfs/dbraw/zinc/11/85/91/394118591.db2.gz BFCJYSLUDCDUDX-AWEZNQCLSA-N 2 0 281.469 2.786 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1COc2ccccc21 ZINC000420402695 394119752 /nfs/dbraw/zinc/11/97/52/394119752.db2.gz KFSGJVUEURSVKF-OFQRWUPVSA-N 2 0 274.408 2.530 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359210965 394127320 /nfs/dbraw/zinc/12/73/20/394127320.db2.gz FAGDKEZCDDOBEJ-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000359939688 394143307 /nfs/dbraw/zinc/14/33/07/394143307.db2.gz DLOZVHZNLOQXMQ-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000360040241 394144634 /nfs/dbraw/zinc/14/46/34/394144634.db2.gz SOKISCXAPISPPD-KZNAEPCWSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000360167414 394146436 /nfs/dbraw/zinc/14/64/36/394146436.db2.gz XQBFRRAPVLJJDC-FZKCQIBNSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000446839054 394150412 /nfs/dbraw/zinc/15/04/12/394150412.db2.gz OSSGHGOMSNWODH-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132443721 394155219 /nfs/dbraw/zinc/15/52/19/394155219.db2.gz FMCMBYMYFPAESY-MSOLQXFVSA-N 2 0 295.515 2.983 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]([C@H]4CCOC4)C3)CC[N@@H+]2C1 ZINC000360985658 394162154 /nfs/dbraw/zinc/16/21/54/394162154.db2.gz HZQOQQBAERTRAY-NNPSNHGLSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC000421365681 394202833 /nfs/dbraw/zinc/20/28/33/394202833.db2.gz BQHHHGTWDRPLAJ-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000421365741 394203267 /nfs/dbraw/zinc/20/32/67/394203267.db2.gz AUGVVZUAMWOBPR-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000421367098 394204246 /nfs/dbraw/zinc/20/42/46/394204246.db2.gz CXSPAIZDISXIDE-UHFFFAOYSA-N 2 0 288.395 2.632 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000421376445 394208273 /nfs/dbraw/zinc/20/82/73/394208273.db2.gz HBNVMUXJNWVEGN-DOTOQJQBSA-N 2 0 289.423 2.598 20 0 CFADRP CCc1ncc(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000421378764 394209138 /nfs/dbraw/zinc/20/91/38/394209138.db2.gz WCHCQAVSIABOSE-UHFFFAOYSA-N 2 0 267.442 2.668 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422821446 394256662 /nfs/dbraw/zinc/25/66/62/394256662.db2.gz WGICHHLTWUPBRI-UKKRHICBSA-N 2 0 252.324 2.823 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449109529 394216356 /nfs/dbraw/zinc/21/63/56/394216356.db2.gz ZARQZWPCEVXGAH-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449130953 394222660 /nfs/dbraw/zinc/22/26/60/394222660.db2.gz JDPGDGXXABUXMS-GDBMZVCRSA-N 2 0 264.413 2.921 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449131138 394223636 /nfs/dbraw/zinc/22/36/36/394223636.db2.gz KHXXJCZVWXWHBD-QGZVFWFLSA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000449147633 394230067 /nfs/dbraw/zinc/23/00/67/394230067.db2.gz HMTZFIRYXOJUPX-IRXDYDNUSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422865566 394258014 /nfs/dbraw/zinc/25/80/14/394258014.db2.gz YOINAMCZDJWPQW-PVAVHDDUSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)[C@H](C)O1 ZINC000449157712 394234287 /nfs/dbraw/zinc/23/42/87/394234287.db2.gz WIUVEYDYWJVMNU-WQGACYEGSA-N 2 0 280.387 2.543 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367625446 394259113 /nfs/dbraw/zinc/25/91/13/394259113.db2.gz YDMUKJXFOHFAFA-GDBMZVCRSA-N 2 0 290.455 2.745 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422938629 394259166 /nfs/dbraw/zinc/25/91/66/394259166.db2.gz HNCJCHOTWKDJAZ-CVEARBPZSA-N 2 0 276.424 2.789 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367614272 394259375 /nfs/dbraw/zinc/25/93/75/394259375.db2.gz GFXWMSXTVBJDGA-OAGGEKHMSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000422951398 394259705 /nfs/dbraw/zinc/25/97/05/394259705.db2.gz YKPSEOMQADOONK-OUJBWJOFSA-N 2 0 268.788 2.879 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000422757439 394253919 /nfs/dbraw/zinc/25/39/19/394253919.db2.gz CYBBCLJCHGNRQM-RBSFLKMASA-N 2 0 270.461 2.933 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449230237 394259829 /nfs/dbraw/zinc/25/98/29/394259829.db2.gz IZVZQSPBNRDHPX-ZDUSSCGKSA-N 2 0 250.386 2.532 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423003426 394261105 /nfs/dbraw/zinc/26/11/05/394261105.db2.gz HUGSGNUCWRFTLO-JONQDZQNSA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000423038306 394261864 /nfs/dbraw/zinc/26/18/64/394261864.db2.gz YHPHQFWKRWPZQF-PBHICJAKSA-N 2 0 286.423 2.617 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000423038307 394262339 /nfs/dbraw/zinc/26/23/39/394262339.db2.gz YHPHQFWKRWPZQF-RHSMWYFYSA-N 2 0 286.423 2.617 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc2ccoc21 ZINC000449236819 394263159 /nfs/dbraw/zinc/26/31/59/394263159.db2.gz LWTXIRLTZFVPGJ-UHFFFAOYSA-N 2 0 290.407 2.881 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000151861156 394264608 /nfs/dbraw/zinc/26/46/08/394264608.db2.gz PWVZXLZDTZNAGW-HSMVNMDESA-N 2 0 282.378 2.998 20 0 CFADRP CC(C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000423078900 394265286 /nfs/dbraw/zinc/26/52/86/394265286.db2.gz POVCUVLHVGJLIW-IXDOHACOSA-N 2 0 293.499 2.619 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423082131 394265970 /nfs/dbraw/zinc/26/59/70/394265970.db2.gz CPRYASDUQMUPMB-XIRDDKMYSA-N 2 0 294.414 2.805 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423081347 394266156 /nfs/dbraw/zinc/26/61/56/394266156.db2.gz BJHRSKHZYQYCRU-JFIYKMOQSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423083162 394266390 /nfs/dbraw/zinc/26/63/90/394266390.db2.gz FKDWMMFOPPDAKP-XHSDSOJGSA-N 2 0 275.440 2.618 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423081350 394266420 /nfs/dbraw/zinc/26/64/20/394266420.db2.gz BJHRSKHZYQYCRU-NUJGCVRESA-N 2 0 287.451 2.633 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423084601 394267146 /nfs/dbraw/zinc/26/71/46/394267146.db2.gz IMOOWFAPZIKOCY-FUHWJXTLSA-N 2 0 287.451 2.620 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000423092184 394269136 /nfs/dbraw/zinc/26/91/36/394269136.db2.gz AWAMFWFNQRSWED-JOYOIKCWSA-N 2 0 291.222 2.744 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092136 394269574 /nfs/dbraw/zinc/26/95/74/394269574.db2.gz ARYSOJXZWVRTTM-DAXOMENPSA-N 2 0 298.377 2.554 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1COc2ccccc21 ZINC000423118953 394270190 /nfs/dbraw/zinc/27/01/90/394270190.db2.gz ASLSTOGEMMPESK-ZVZYQTTQSA-N 2 0 296.414 2.711 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000423140647 394271377 /nfs/dbraw/zinc/27/13/77/394271377.db2.gz YYFKHFZHRCMUOE-WDEREUQCSA-N 2 0 270.804 2.607 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423226039 394274153 /nfs/dbraw/zinc/27/41/53/394274153.db2.gz PEXPUCNRNZZKSQ-IONNQARKSA-N 2 0 289.242 2.825 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221031 394274238 /nfs/dbraw/zinc/27/42/38/394274238.db2.gz ZCIKDJMHLRERIE-DLBZAZTESA-N 2 0 260.425 2.843 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000368608332 394274569 /nfs/dbraw/zinc/27/45/69/394274569.db2.gz NOOLWOIKQXAAJV-MGPQQGTHSA-N 2 0 268.470 2.735 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368608869 394274611 /nfs/dbraw/zinc/27/46/11/394274611.db2.gz SQYZBWHXHPLJDB-JHJVBQTASA-N 2 0 256.459 2.590 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423281962 394275681 /nfs/dbraw/zinc/27/56/81/394275681.db2.gz VOYROPMDCOWSTI-VBNZEHGJSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)COC2 ZINC000423280476 394276148 /nfs/dbraw/zinc/27/61/48/394276148.db2.gz SQRSTSCLCKRZAS-QEORTHHSSA-N 2 0 274.408 2.885 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000423372446 394278841 /nfs/dbraw/zinc/27/88/41/394278841.db2.gz GJCTUJOOSKZGKP-NRSFXHEJSA-N 3 0 287.451 2.552 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000423400961 394279616 /nfs/dbraw/zinc/27/96/16/394279616.db2.gz QNZCZFZPDDRGDB-KEYYUXOJSA-N 2 0 284.407 2.521 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423405597 394280643 /nfs/dbraw/zinc/28/06/43/394280643.db2.gz YCUBOLFOQAKHTM-AVGNSLFASA-N 2 0 251.349 2.531 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[C@H](C)O ZINC000449541688 394280871 /nfs/dbraw/zinc/28/08/71/394280871.db2.gz KTDPVLIXVPIKEZ-NXNVCVFFSA-N 2 0 282.472 2.779 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423405596 394280957 /nfs/dbraw/zinc/28/09/57/394280957.db2.gz YCUBOLFOQAKHTM-AGIUHOORSA-N 2 0 251.349 2.531 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423405599 394281070 /nfs/dbraw/zinc/28/10/70/394281070.db2.gz YCUBOLFOQAKHTM-UPJWGTAASA-N 2 0 251.349 2.531 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)CCCC[NH3+])CC2 ZINC000423431190 394281379 /nfs/dbraw/zinc/28/13/79/394281379.db2.gz LNSVPMPLAPUHQM-IUODEOHRSA-N 2 0 292.423 2.798 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423449441 394282163 /nfs/dbraw/zinc/28/21/63/394282163.db2.gz RLRZSDSCYKQJKK-PKFCDNJMSA-N 2 0 297.240 2.632 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000369851226 394282250 /nfs/dbraw/zinc/28/22/50/394282250.db2.gz ITMBWAIIDQHJJL-ABFRBSLYSA-N 2 0 276.424 2.692 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423503282 394284668 /nfs/dbraw/zinc/28/46/68/394284668.db2.gz KIKMTMPAAXXLQX-SQNIBIBYSA-N 2 0 290.451 2.945 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCOC1 ZINC000423503214 394284685 /nfs/dbraw/zinc/28/46/85/394284685.db2.gz FUCFXUFVZYDELF-UAGQMJEPSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cn[nH]c1 ZINC000423507566 394285259 /nfs/dbraw/zinc/28/52/59/394285259.db2.gz JONYAMVOFDRTIP-IUODEOHRSA-N 2 0 258.369 2.541 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423509901 394285967 /nfs/dbraw/zinc/28/59/67/394285967.db2.gz OVJZBPNCXQMSLH-WQVCFCJDSA-N 2 0 290.407 2.641 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423509628 394286481 /nfs/dbraw/zinc/28/64/81/394286481.db2.gz LQAYDUZTTUBFJV-JKSUJKDBSA-N 2 0 286.423 2.941 20 0 CFADRP c1ccc(C[C@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)cc1 ZINC000423527046 394290254 /nfs/dbraw/zinc/29/02/54/394290254.db2.gz LYMLTPMFLXHSOB-KRWDZBQOSA-N 2 0 258.409 2.739 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423528445 394291405 /nfs/dbraw/zinc/29/14/05/394291405.db2.gz OEVGWJBWJMNJSO-KRWDZBQOSA-N 2 0 274.408 2.804 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000153770911 394292365 /nfs/dbraw/zinc/29/23/65/394292365.db2.gz QUDDWFKRYAXFHO-MRXNPFEDSA-N 2 0 278.440 2.922 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539370 394293726 /nfs/dbraw/zinc/29/37/26/394293726.db2.gz IEOBHSLZUAMIAU-ZDEQEGDKSA-N 2 0 280.437 2.795 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)ccc1F ZINC000423543235 394294830 /nfs/dbraw/zinc/29/48/30/394294830.db2.gz UTTWLJHVSFOYDR-GFCCVEGCSA-N 2 0 278.371 2.795 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541967 394295009 /nfs/dbraw/zinc/29/50/09/394295009.db2.gz SNKDYDCURPAECS-MRXNPFEDSA-N 2 0 272.392 2.800 20 0 CFADRP C1CC1[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000423551763 394296448 /nfs/dbraw/zinc/29/64/48/394296448.db2.gz OZNFZRJUCBEHDV-VQHPVUNQSA-N 2 0 262.441 2.933 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423550417 394296521 /nfs/dbraw/zinc/29/65/21/394296521.db2.gz IKGQZCSYJCDTHO-MORSLUCNSA-N 2 0 288.435 2.919 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cn1 ZINC000423557526 394297339 /nfs/dbraw/zinc/29/73/39/394297339.db2.gz ZXIGVFKTYBCEQI-VIRABCJISA-N 2 0 277.387 2.650 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000423559744 394297379 /nfs/dbraw/zinc/29/73/79/394297379.db2.gz OWIYKNDHMPZHOQ-OAHLLOKOSA-N 2 0 296.418 2.833 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423573622 394299146 /nfs/dbraw/zinc/29/91/46/394299146.db2.gz ZFUQXXQUQVILCS-LLVKDONJSA-N 2 0 266.335 2.925 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000493868907 394334123 /nfs/dbraw/zinc/33/41/23/394334123.db2.gz ATZAUTYQUSWJTQ-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(CC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000450645415 394307620 /nfs/dbraw/zinc/30/76/20/394307620.db2.gz UHAPAYVXBQOARQ-SJORKVTESA-N 2 0 289.467 2.533 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000155283823 394313552 /nfs/dbraw/zinc/31/35/52/394313552.db2.gz PSCBRNLAEKDIFB-CJNGLKHVSA-N 2 0 276.399 2.930 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000155308834 394314003 /nfs/dbraw/zinc/31/40/03/394314003.db2.gz ZGACOBCYMJCSJJ-CJNGLKHVSA-N 2 0 276.399 2.787 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493917016 394336530 /nfs/dbraw/zinc/33/65/30/394336530.db2.gz OKANHYPWQSRSFG-NVXWUHKLSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000423780817 394317774 /nfs/dbraw/zinc/31/77/74/394317774.db2.gz GWQZAKRLDOHFPT-GOEBONIOSA-N 2 0 289.423 2.513 20 0 CFADRP CC[C@]1(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CCC[NH2+]1 ZINC000423784549 394319085 /nfs/dbraw/zinc/31/90/85/394319085.db2.gz MSQSUISOXYCTPQ-QGZVFWFLSA-N 2 0 289.423 2.527 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000423785483 394319107 /nfs/dbraw/zinc/31/91/07/394319107.db2.gz OHTQSLWSNXKMAQ-OAHLLOKOSA-N 2 0 289.423 2.527 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000155691167 394321325 /nfs/dbraw/zinc/32/13/25/394321325.db2.gz OWXZKFIAJXUJRT-KFWWJZLASA-N 2 0 256.434 2.510 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)sc1C ZINC000155687492 394321531 /nfs/dbraw/zinc/32/15/31/394321531.db2.gz UOBIFJRCOLECHA-SWLSCSKDSA-N 2 0 295.496 2.876 20 0 CFADRP CCCc1csc(C[NH2+]CCC2CC[NH+](C)CC2)n1 ZINC000494087714 394340716 /nfs/dbraw/zinc/34/07/16/394340716.db2.gz HGDROOQYLVZQKJ-UHFFFAOYSA-N 2 0 281.469 2.917 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cs1 ZINC000157072512 394341515 /nfs/dbraw/zinc/34/15/15/394341515.db2.gz JLUSVTIXKVXDOZ-JSGCOSHPSA-N 2 0 281.469 2.568 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccncc2)C1 ZINC000450998966 394345679 /nfs/dbraw/zinc/34/56/79/394345679.db2.gz BMWZSVOWCYBXCQ-DLBZAZTESA-N 2 0 273.424 2.745 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000157870336 394351633 /nfs/dbraw/zinc/35/16/33/394351633.db2.gz WMZWUXNZZDLMCV-CABCVRRESA-N 2 0 278.444 2.725 20 0 CFADRP COCC[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158200791 394355515 /nfs/dbraw/zinc/35/55/15/394355515.db2.gz KQSRRCCYMNUWPN-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cncc(F)c2)cc1F ZINC000494558825 394357999 /nfs/dbraw/zinc/35/79/99/394357999.db2.gz HHCMRCKFWSWFIX-UHFFFAOYSA-N 2 0 291.345 2.711 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000453376783 394392075 /nfs/dbraw/zinc/39/20/75/394392075.db2.gz UXCYMFKTYOEMNP-LAVFITLUSA-N 2 0 294.483 2.759 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159060306 394363063 /nfs/dbraw/zinc/36/30/63/394363063.db2.gz SUJCUNCXHQJGJD-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502540685 394366340 /nfs/dbraw/zinc/36/63/40/394366340.db2.gz IJTIIXQWBJTVGR-YNEHKIRRSA-N 2 0 276.371 2.611 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165337132 394369473 /nfs/dbraw/zinc/36/94/73/394369473.db2.gz ICDWSGAXJRMFHB-FUHWJXTLSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519615324 394372214 /nfs/dbraw/zinc/37/22/14/394372214.db2.gz ZZPSTDIIKSQLTD-AEFFLSMTSA-N 2 0 272.436 2.941 20 0 CFADRP c1ccc(NC2CC[NH+](CC[C@H]3CCCCO3)CC2)nc1 ZINC000519666622 394374262 /nfs/dbraw/zinc/37/42/62/394374262.db2.gz BWDLFKQFZCTMPS-MRXNPFEDSA-N 2 0 289.423 2.917 20 0 CFADRP c1ccc(NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)nc1 ZINC000519666618 394374281 /nfs/dbraw/zinc/37/42/81/394374281.db2.gz BWDLFKQFZCTMPS-INIZCTEOSA-N 2 0 289.423 2.917 20 0 CFADRP C[NH+]1CCC(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453390301 394395130 /nfs/dbraw/zinc/39/51/30/394395130.db2.gz XJWIAUNPZVOAHV-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453385713 394393759 /nfs/dbraw/zinc/39/37/59/394393759.db2.gz DHVIXARNYIXORS-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453385714 394394020 /nfs/dbraw/zinc/39/40/20/394394020.db2.gz DHVIXARNYIXORS-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000453386314 394394226 /nfs/dbraw/zinc/39/42/26/394394226.db2.gz ANQUKSGOGNZLLA-CQSZACIVSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527639419 394394716 /nfs/dbraw/zinc/39/47/16/394394716.db2.gz CLRDZSSMPNOCSA-XRGAULLZSA-N 2 0 250.430 2.743 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000178106303 394386212 /nfs/dbraw/zinc/38/62/12/394386212.db2.gz BTRHQRLVUQIBMU-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000453399825 394397151 /nfs/dbraw/zinc/39/71/51/394397151.db2.gz LRJYXLZGUOBIIZ-CYBMUJFWSA-N 2 0 290.407 2.940 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453402986 394397607 /nfs/dbraw/zinc/39/76/07/394397607.db2.gz GIGLSGPMTKJEQF-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453403861 394398130 /nfs/dbraw/zinc/39/81/30/394398130.db2.gz OZKFOIZIAAKFIL-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccncc1 ZINC000453405918 394398619 /nfs/dbraw/zinc/39/86/19/394398619.db2.gz QUZAFGOSNSUKNU-MRXNPFEDSA-N 2 0 261.413 2.997 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCSCC1 ZINC000453410016 394399253 /nfs/dbraw/zinc/39/92/53/394399253.db2.gz UOVPXUBKQKRCBF-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP FC1(F)CC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000453429398 394402838 /nfs/dbraw/zinc/40/28/38/394402838.db2.gz QNWVGRMCTVKJJL-CHWSQXEVSA-N 2 0 258.356 2.638 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3[nH]nc4ccccc43)C2)CC1 ZINC000685463100 542919775 /nfs/dbraw/zinc/91/97/75/542919775.db2.gz DAZITHUWIVMVCE-OAHLLOKOSA-N 2 0 298.434 2.727 20 0 CFADRP C[C@H](CF)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000685473390 542921883 /nfs/dbraw/zinc/92/18/83/542921883.db2.gz STVHZALYKOSBQW-NFAWXSAZSA-N 2 0 256.409 2.977 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC12CC2 ZINC000527845207 394415781 /nfs/dbraw/zinc/41/57/81/394415781.db2.gz DAGQXAYVLAFOST-YOEHRIQHSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CC12CC2)C[NH+]1CCCCC1 ZINC000527847501 394416261 /nfs/dbraw/zinc/41/62/61/394416261.db2.gz HZSNMHANEKTNMV-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527860024 394417846 /nfs/dbraw/zinc/41/78/46/394417846.db2.gz TZXMUHDNOBNSGE-RRFJBIMHSA-N 2 0 250.430 2.885 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527868199 394419272 /nfs/dbraw/zinc/41/92/72/394419272.db2.gz OMEKGNUXNRKUCC-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)OCC ZINC000527930805 394427576 /nfs/dbraw/zinc/42/75/76/394427576.db2.gz LITHENGVUOOVMG-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC([NH+]2CCC(CCOC)CC2)CC1 ZINC000527936384 394428739 /nfs/dbraw/zinc/42/87/39/394428739.db2.gz RDRVACKSNGZPIT-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000527944948 394429685 /nfs/dbraw/zinc/42/96/85/394429685.db2.gz DVYYVWKMKPRHQH-JQHSSLGASA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)C1 ZINC000527979432 394434988 /nfs/dbraw/zinc/43/49/88/394434988.db2.gz GZZHLIGLQDSSBV-LMMWMHBBSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000530178327 394472539 /nfs/dbraw/zinc/47/25/39/394472539.db2.gz KCRIVQUJVXFVIS-NJAFHUGGSA-N 2 0 299.462 2.696 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410916 394514349 /nfs/dbraw/zinc/51/43/49/394514349.db2.gz BWULYLCNFOVMTB-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])OC)c1 ZINC000530207071 394479967 /nfs/dbraw/zinc/47/99/67/394479967.db2.gz CVZVSRRXEOWDFF-IKGGRYGDSA-N 2 0 292.423 2.632 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530212520 394481876 /nfs/dbraw/zinc/48/18/76/394481876.db2.gz QPXKLOYSGJZLLW-ZAOWEBSESA-N 2 0 264.800 2.695 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530211673 394481943 /nfs/dbraw/zinc/48/19/43/394481943.db2.gz PKLMMHRKWUDNPU-PMOUVXMZSA-N 2 0 273.424 2.936 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000530214274 394482920 /nfs/dbraw/zinc/48/29/20/394482920.db2.gz WWVNCTKUYKQZLN-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216132 394483887 /nfs/dbraw/zinc/48/38/87/394483887.db2.gz MUJJSMSMTDADKS-IHRRRGAJSA-N 2 0 254.393 2.779 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000530218517 394486340 /nfs/dbraw/zinc/48/63/40/394486340.db2.gz GOEXWIIEBYULMQ-YESZJQIVSA-N 2 0 273.424 2.790 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2n1 ZINC000530221690 394488545 /nfs/dbraw/zinc/48/85/45/394488545.db2.gz XDIORQLTIKYNPY-YESZJQIVSA-N 2 0 298.434 2.584 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000530227754 394491828 /nfs/dbraw/zinc/49/18/28/394491828.db2.gz ZSOPUMCZLAPIPS-HZPDHXFCSA-N 2 0 280.456 2.641 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240762 394494226 /nfs/dbraw/zinc/49/42/26/394494226.db2.gz NGICTRYAYPKVNW-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000530243248 394494967 /nfs/dbraw/zinc/49/49/67/394494967.db2.gz GHBDIFBNUWHNIE-HOCLYGCPSA-N 2 0 258.409 2.739 20 0 CFADRP CCC(CC)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243989 394495183 /nfs/dbraw/zinc/49/51/83/394495183.db2.gz UMVMQARBHTZIFN-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@H+](Cc1ccc(OC)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000530245524 394495552 /nfs/dbraw/zinc/49/55/52/394495552.db2.gz YQSOHVXSZXIDKM-KRWDZBQOSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000536873213 394573486 /nfs/dbraw/zinc/57/34/86/394573486.db2.gz XLUSRJOASKFTCM-NHYWBVRUSA-N 2 0 284.806 2.951 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000539092146 394622034 /nfs/dbraw/zinc/62/20/34/394622034.db2.gz XTJBEHSPEYNMFJ-NVXWUHKLSA-N 2 0 276.424 2.612 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000540164070 394644291 /nfs/dbraw/zinc/64/42/91/394644291.db2.gz PZRVTXPDEDJXLC-CRAIPNDOSA-N 2 0 290.451 2.948 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000540164071 394644334 /nfs/dbraw/zinc/64/43/34/394644334.db2.gz PZRVTXPDEDJXLC-QAPCUYQASA-N 2 0 290.451 2.948 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)Oc1cccc(C)c1 ZINC000540221868 394645133 /nfs/dbraw/zinc/64/51/33/394645133.db2.gz XNACOOAGZVLZKO-BFYDXBDKSA-N 2 0 276.424 2.692 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000540522702 394648830 /nfs/dbraw/zinc/64/88/30/394648830.db2.gz VUXKSJBWGZMVOV-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000543408893 394729350 /nfs/dbraw/zinc/72/93/50/394729350.db2.gz ANSWNTFUCJDUFC-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000543636357 394736976 /nfs/dbraw/zinc/73/69/76/394736976.db2.gz HVHARJWAMUZUGB-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000544579398 394765879 /nfs/dbraw/zinc/76/58/79/394765879.db2.gz QULHXYFADVDQJM-HOTGVXAUSA-N 2 0 292.471 2.973 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000547433015 394866687 /nfs/dbraw/zinc/86/66/87/394866687.db2.gz OMVKMZXCHVMEHG-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]CCCCn1ccnc1 ZINC000546626442 394833387 /nfs/dbraw/zinc/83/33/87/394833387.db2.gz UJIULMBICVBAIT-UHFFFAOYSA-N 2 0 275.400 2.539 20 0 CFADRP c1ccc2c(c1)CC(C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)C2 ZINC000685837918 542948217 /nfs/dbraw/zinc/94/82/17/542948217.db2.gz DTRRYVLATAFJIQ-INIZCTEOSA-N 2 0 284.447 2.819 20 0 CFADRP c1cc2cnccc2c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000061124980 542966083 /nfs/dbraw/zinc/96/60/83/542966083.db2.gz UOFFTXZPDPSIES-UHFFFAOYSA-N 2 0 269.392 2.810 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1cccc(F)c1 ZINC000166718342 542967081 /nfs/dbraw/zinc/96/70/81/542967081.db2.gz PJYGAJZIYNIPCN-FVQBIDKESA-N 2 0 292.398 2.809 20 0 CFADRP C[NH+](C)CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000166628581 542966378 /nfs/dbraw/zinc/96/63/78/542966378.db2.gz KYQLLPRPEJBNKF-XHSDSOJGSA-N 2 0 281.488 2.569 20 0 CFADRP CCn1c(C[NH2+]CCCn2ccnc2C)nc2ccccc21 ZINC000554696697 394955846 /nfs/dbraw/zinc/95/58/46/394955846.db2.gz OBVMHQSRCYXHQH-UHFFFAOYSA-N 2 0 297.406 2.741 20 0 CFADRP COc1ccncc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548714834 394947508 /nfs/dbraw/zinc/94/75/08/394947508.db2.gz SIRZPWAWTXFWBS-UHFFFAOYSA-N 2 0 291.395 2.683 20 0 CFADRP COCC1(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CCC1 ZINC000555249882 394969173 /nfs/dbraw/zinc/96/91/73/394969173.db2.gz CZYMPGKSBRNGRX-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166846191 542967485 /nfs/dbraw/zinc/96/74/85/542967485.db2.gz KDDQFVNOSXTDTO-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1F ZINC000166723253 542967607 /nfs/dbraw/zinc/96/76/07/542967607.db2.gz RTWIOLSVCXNWFV-QLFBSQMISA-N 2 0 292.398 2.809 20 0 CFADRP COCC1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000558112332 395052252 /nfs/dbraw/zinc/05/22/52/395052252.db2.gz DHFXMYHVOSSTIQ-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@H+](CC1Cc2ccccc2C1)C[C@@H]1CCC[NH+](C)C1 ZINC000558567155 395064291 /nfs/dbraw/zinc/06/42/91/395064291.db2.gz YEEZLSVDNLLOEH-OAHLLOKOSA-N 2 0 272.436 2.675 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570621569 395085136 /nfs/dbraw/zinc/08/51/36/395085136.db2.gz BZOPSSCAWMRNPU-RDBSUJKOSA-N 2 0 270.486 2.838 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000648403806 395127595 /nfs/dbraw/zinc/12/75/95/395127595.db2.gz DCKWULLCCFDAFX-INIZCTEOSA-N 2 0 260.381 2.529 20 0 CFADRP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000648406810 395130011 /nfs/dbraw/zinc/13/00/11/395130011.db2.gz NXHSETHLMJZXHC-GFCCVEGCSA-N 2 0 262.372 2.744 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000648455345 395151045 /nfs/dbraw/zinc/15/10/45/395151045.db2.gz MRWLHPSPORCWEJ-CVEARBPZSA-N 2 0 294.414 2.935 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648438484 395142889 /nfs/dbraw/zinc/14/28/89/395142889.db2.gz QLFFTJNOZJDYCB-QGZVFWFLSA-N 2 0 260.425 2.865 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000178413377 543001838 /nfs/dbraw/zinc/00/18/38/543001838.db2.gz LHNGVXRPCRFNRS-INIZCTEOSA-N 2 0 262.372 2.889 20 0 CFADRP C[NH+](C)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000179727619 543008103 /nfs/dbraw/zinc/00/81/03/543008103.db2.gz KLRSPJGBHLYBOH-UHFFFAOYSA-N 2 0 260.425 2.990 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC000648515740 395181499 /nfs/dbraw/zinc/18/14/99/395181499.db2.gz XWYRMIIXQXPSEE-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180546111 543014587 /nfs/dbraw/zinc/01/45/87/543014587.db2.gz CAHWBHYTFMQOMQ-GDBMZVCRSA-N 2 0 276.424 2.700 20 0 CFADRP C[C@H](CCO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647185021 395208595 /nfs/dbraw/zinc/20/85/95/395208595.db2.gz LTPALKLKGLDPLK-WBVHZDCISA-N 2 0 288.435 2.544 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000647343913 395306531 /nfs/dbraw/zinc/30/65/31/395306531.db2.gz FUPXAVBIYCHREP-SQNIBIBYSA-N 2 0 290.451 2.592 20 0 CFADRP Cc1ccncc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249246 395256290 /nfs/dbraw/zinc/25/62/90/395256290.db2.gz MYOJTENNSGFAIT-MOPGFXCFSA-N 2 0 295.430 2.825 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCS[C@H]1C ZINC000647258380 395262101 /nfs/dbraw/zinc/26/21/01/395262101.db2.gz BKZJUYMEQUEQHS-SWLSCSKDSA-N 2 0 288.420 2.559 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1C ZINC000647479698 395353919 /nfs/dbraw/zinc/35/39/19/395353919.db2.gz QELKFCDXEWJDLB-DLBZAZTESA-N 2 0 288.435 2.968 20 0 CFADRP c1nc(C2CC2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647483271 395356797 /nfs/dbraw/zinc/35/67/97/395356797.db2.gz ODLHODGCFCGAPW-OAHLLOKOSA-N 2 0 291.464 2.985 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647494467 395358842 /nfs/dbraw/zinc/35/88/42/395358842.db2.gz KMAVZDMLVWYUDT-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000647497319 395360120 /nfs/dbraw/zinc/36/01/20/395360120.db2.gz CTIQZHWRYFPWBA-DOTOQJQBSA-N 2 0 288.435 2.613 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647496742 395360217 /nfs/dbraw/zinc/36/02/17/395360217.db2.gz MPJOETGYIZVKQB-DZGCQCFKSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647498795 395364117 /nfs/dbraw/zinc/36/41/17/395364117.db2.gz QRLVSTJUMCLUID-XJKSGUPXSA-N 2 0 284.407 2.636 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1[NH3+] ZINC000647498876 395364549 /nfs/dbraw/zinc/36/45/49/395364549.db2.gz SNKSBDMEVLYCSF-DZGCQCFKSA-N 2 0 298.377 2.890 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000647509961 395367663 /nfs/dbraw/zinc/36/76/63/395367663.db2.gz MCDISDMHVAAEEU-UHFFFAOYSA-N 2 0 293.480 2.843 20 0 CFADRP c1ccc([C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000647516351 395371156 /nfs/dbraw/zinc/37/11/56/395371156.db2.gz HGARRZHYLPNNDZ-ZBFHGGJFSA-N 2 0 276.449 2.776 20 0 CFADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000647518307 395372934 /nfs/dbraw/zinc/37/29/34/395372934.db2.gz YZOJKTXYHKDQQS-NVXWUHKLSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000647530802 395374870 /nfs/dbraw/zinc/37/48/70/395374870.db2.gz HCCAOLFFLNMINR-UHFFFAOYSA-N 2 0 298.434 2.709 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)c(-c2ccnn2C)c1 ZINC000647530730 395375060 /nfs/dbraw/zinc/37/50/60/395375060.db2.gz CCLSFGIOYNAVEI-UHFFFAOYSA-N 2 0 298.434 2.709 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543053 395384515 /nfs/dbraw/zinc/38/45/15/395384515.db2.gz GZMDUYSNXYTXRI-CVEARBPZSA-N 2 0 273.424 2.602 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543302 395384726 /nfs/dbraw/zinc/38/47/26/395384726.db2.gz KWBSILAUBGHAIY-KGLIPLIRSA-N 2 0 293.480 2.917 20 0 CFADRP C(C1CCCC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543649 395385465 /nfs/dbraw/zinc/38/54/65/395385465.db2.gz QVLWSYOCCSTRQV-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543722 395385645 /nfs/dbraw/zinc/38/56/45/395385645.db2.gz RMBREDHAWLCJIS-IAGOWNOFSA-N 2 0 273.424 2.602 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647547372 395387400 /nfs/dbraw/zinc/38/74/00/395387400.db2.gz UPFWHPCZZCDPJW-MMNPAVHPSA-N 2 0 285.435 2.624 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647548890 395388025 /nfs/dbraw/zinc/38/80/25/395388025.db2.gz ZGJLALAOXZSDRD-OKZBNKHCSA-N 2 0 272.436 2.824 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647548910 395388317 /nfs/dbraw/zinc/38/83/17/395388317.db2.gz AHIJDIBNQDXQDL-WCXIOVBPSA-N 2 0 270.420 2.694 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549900 395389435 /nfs/dbraw/zinc/38/94/35/395389435.db2.gz WUUCCQADIZLBHL-OSAQELSMSA-N 2 0 294.826 2.826 20 0 CFADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647550142 395389534 /nfs/dbraw/zinc/38/95/34/395389534.db2.gz BUEUCPASUQCNFQ-UMVBOHGHSA-N 2 0 294.826 2.697 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1O ZINC000647551374 395390597 /nfs/dbraw/zinc/39/05/97/395390597.db2.gz LBKUPSADAYLOAU-IXDOHACOSA-N 2 0 288.435 2.529 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc2n1 ZINC000647552034 395390829 /nfs/dbraw/zinc/39/08/29/395390829.db2.gz BJUPJANGCZJIHR-DGCLKSJQSA-N 2 0 257.381 2.759 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1C1CCCCC1 ZINC000647551106 395390891 /nfs/dbraw/zinc/39/08/91/395390891.db2.gz YCIMQLAZYVWUNR-ALYAQQCSSA-N 2 0 262.441 2.933 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000647553287 395392402 /nfs/dbraw/zinc/39/24/02/395392402.db2.gz PNXVZEKMDKURNW-MRXNPFEDSA-N 2 0 282.387 2.801 20 0 CFADRP c1cc2c(cc[nH+]c2NCC[NH+]2CCCCCC2)[nH]1 ZINC000647855336 395445642 /nfs/dbraw/zinc/44/56/42/395445642.db2.gz DBCQCVYTELUEAB-UHFFFAOYSA-N 2 0 258.369 2.851 20 0 CFADRP C[C@@H]1CCC[N@H+](CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000647856994 395446224 /nfs/dbraw/zinc/44/62/24/395446224.db2.gz ZVHDFNNSIBSNAW-GFCCVEGCSA-N 2 0 258.369 2.707 20 0 CFADRP C[C@H](O)C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647880360 395450010 /nfs/dbraw/zinc/45/00/10/395450010.db2.gz MCVKFKCVEAPBLN-INIZCTEOSA-N 2 0 290.451 2.649 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647882045 395451408 /nfs/dbraw/zinc/45/14/08/395451408.db2.gz FXIOMRORDVALMX-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@@H](O)C[N@H+](CCCC1CC[NH2+]CC1)C1CCCCC1 ZINC000647884137 395452404 /nfs/dbraw/zinc/45/24/04/395452404.db2.gz QWLVSJZHQDUJNA-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1C ZINC000647888191 395453138 /nfs/dbraw/zinc/45/31/38/395453138.db2.gz YMNVOQZZQODBSK-INIZCTEOSA-N 2 0 258.409 2.877 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647889503 395453157 /nfs/dbraw/zinc/45/31/57/395453157.db2.gz YVLMOSCQNCCLLT-SJORKVTESA-N 2 0 260.425 2.857 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000647889345 395453604 /nfs/dbraw/zinc/45/36/04/395453604.db2.gz IJURTHVWYLBMGP-VYDXJSESSA-N 2 0 258.409 2.722 20 0 CFADRP Cc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1C ZINC000647888192 395453651 /nfs/dbraw/zinc/45/36/51/395453651.db2.gz YMNVOQZZQODBSK-MRXNPFEDSA-N 2 0 258.409 2.877 20 0 CFADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890110 395453991 /nfs/dbraw/zinc/45/39/91/395453991.db2.gz QMUJKWOJSGERGU-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC000647889997 395454051 /nfs/dbraw/zinc/45/40/51/395454051.db2.gz DQJAGJYKXXTFMH-IAGOWNOFSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000647890075 395454068 /nfs/dbraw/zinc/45/40/68/395454068.db2.gz LXNHRTHUAIOSOO-XJKCOSOUSA-N 2 0 262.372 2.818 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000647891553 395454717 /nfs/dbraw/zinc/45/47/17/395454717.db2.gz PSDVLESCPBTHQD-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP Clc1ccc(C2([NH2+]C[C@@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000647892323 395454966 /nfs/dbraw/zinc/45/49/66/395454966.db2.gz VCEHJZRWQRASBD-CYBMUJFWSA-N 2 0 294.826 2.545 20 0 CFADRP Fc1ccc2c(c1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647988794 395473802 /nfs/dbraw/zinc/47/38/02/395473802.db2.gz OLLPGLBMLSUDJI-UHFFFAOYSA-N 2 0 276.399 2.964 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CCCS2)C1 ZINC000647910775 395456136 /nfs/dbraw/zinc/45/61/36/395456136.db2.gz FJJARNPSFDMYHX-KBPBESRZSA-N 2 0 256.459 2.546 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649331778 395474243 /nfs/dbraw/zinc/47/42/43/395474243.db2.gz WGFAHWNDKBDWFE-CQSZACIVSA-N 2 0 297.487 2.521 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccccc2C)CC[C@H]1[NH3+] ZINC000647937312 395461815 /nfs/dbraw/zinc/46/18/15/395461815.db2.gz VRXDSUOCXATEQG-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccccc2C)CC[C@H]1[NH3+] ZINC000647937313 395462202 /nfs/dbraw/zinc/46/22/02/395462202.db2.gz VRXDSUOCXATEQG-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1cccc([C@H]2CCCN2C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000647960142 395466093 /nfs/dbraw/zinc/46/60/93/395466093.db2.gz HXPPAKCXPIMUBM-ZWKOTPCHSA-N 2 0 290.451 2.833 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647965251 395468394 /nfs/dbraw/zinc/46/83/94/395468394.db2.gz OGPFIHHXSWAEES-ROUUACIJSA-N 2 0 292.467 2.641 20 0 CFADRP [NH3+]CCC[N@H+](CCCC1CC[NH2+]CC1)CC1CCCC1 ZINC000647966033 395469060 /nfs/dbraw/zinc/46/90/60/395469060.db2.gz VJIFFDWAEHKNTC-UHFFFAOYSA-N 3 0 281.488 2.607 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000647970058 395470719 /nfs/dbraw/zinc/47/07/19/395470719.db2.gz AEEUZDHBXWHFRJ-WBVHZDCISA-N 2 0 292.467 2.643 20 0 CFADRP FCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977868 395471396 /nfs/dbraw/zinc/47/13/96/395471396.db2.gz JFELNIKHSPJESC-CABCVRRESA-N 2 0 256.409 2.838 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978116 395471849 /nfs/dbraw/zinc/47/18/49/395471849.db2.gz MZMCFVICOREAKS-DLBZAZTESA-N 2 0 282.472 2.761 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647785972 395427866 /nfs/dbraw/zinc/42/78/66/395427866.db2.gz GZAYBDLSTPMWCU-GVDBMIGSSA-N 2 0 288.435 2.606 20 0 CFADRP c1ccc2nc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000647786125 395427869 /nfs/dbraw/zinc/42/78/69/395427869.db2.gz INIPDZKXPXNJHC-XYJFISCASA-N 2 0 295.430 2.755 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1F ZINC000647788412 395428750 /nfs/dbraw/zinc/42/87/50/395428750.db2.gz JHUYRPVFBCWUQS-APIJFGDWSA-N 2 0 292.398 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccccc1F ZINC000647788413 395428950 /nfs/dbraw/zinc/42/89/50/395428950.db2.gz JHUYRPVFBCWUQS-CBBWQLFWSA-N 2 0 292.398 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccc(F)cc1 ZINC000647789012 395428969 /nfs/dbraw/zinc/42/89/69/395428969.db2.gz WVIQMVMWYNYSJQ-IXYNUQLISA-N 2 0 292.398 2.571 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788558 395428980 /nfs/dbraw/zinc/42/89/80/395428980.db2.gz LZMGFKQTLTUJNX-OKZBNKHCSA-N 2 0 288.435 2.701 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CO2 ZINC000647791484 395429495 /nfs/dbraw/zinc/42/94/95/395429495.db2.gz FJENKGOHAKFITC-FMVNMVDZSA-N 2 0 292.810 2.751 20 0 CFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647789842 395429601 /nfs/dbraw/zinc/42/96/01/395429601.db2.gz MKXCRVYUKWRZOF-GRDNDAEWSA-N 2 0 288.410 2.835 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000647791427 395429665 /nfs/dbraw/zinc/42/96/65/395429665.db2.gz CSVQEBGNJSZASF-ZNEHSRBWSA-N 2 0 290.382 2.627 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647791620 395429848 /nfs/dbraw/zinc/42/98/48/395429848.db2.gz JDBPGDVHCVTMSZ-BRWVUGGUSA-N 2 0 288.435 2.660 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCCO1 ZINC000647791715 395429915 /nfs/dbraw/zinc/42/99/15/395429915.db2.gz KWHXZQPHTVPUKY-QXSJWSMHSA-N 2 0 280.456 2.559 20 0 CFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647789843 395429937 /nfs/dbraw/zinc/42/99/37/395429937.db2.gz MKXCRVYUKWRZOF-JJRVBVJISA-N 2 0 288.410 2.835 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647791545 395429940 /nfs/dbraw/zinc/42/99/40/395429940.db2.gz HAYVAKPDANJBKY-IJEWVQPXSA-N 2 0 286.419 2.662 20 0 CFADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647791793 395430280 /nfs/dbraw/zinc/43/02/80/395430280.db2.gz MYXBUNPSDDNAOC-BRXULGCHSA-N 2 0 290.382 2.627 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647792020 395430457 /nfs/dbraw/zinc/43/04/57/395430457.db2.gz RNBWDGZCDNJGHC-IXDOHACOSA-N 2 0 258.409 2.515 20 0 CFADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647791794 395430601 /nfs/dbraw/zinc/43/06/01/395430601.db2.gz MYXBUNPSDDNAOC-OQMKEHIESA-N 2 0 290.382 2.627 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794401 395431523 /nfs/dbraw/zinc/43/15/23/395431523.db2.gz ZOXSSDFXVPHNIQ-IXDOHACOSA-N 2 0 287.451 2.857 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647797931 395432598 /nfs/dbraw/zinc/43/25/98/395432598.db2.gz HMCBKHHTHQYFKT-IJLUTSLNSA-N 2 0 299.340 2.578 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647797933 395432624 /nfs/dbraw/zinc/43/26/24/395432624.db2.gz HMCBKHHTHQYFKT-SDDRHHMPSA-N 2 0 299.340 2.578 20 0 CFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647796680 395432774 /nfs/dbraw/zinc/43/27/74/395432774.db2.gz JKBMBJBATKHIPP-REWJHTLYSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000647797124 395433061 /nfs/dbraw/zinc/43/30/61/395433061.db2.gz ZMENFYSELXETLI-PVTMVUMOSA-N 2 0 280.456 2.558 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799966 395433650 /nfs/dbraw/zinc/43/36/50/395433650.db2.gz VTLNOCFHCZEHGO-JARXUMMXSA-N 2 0 274.383 2.659 20 0 CFADRP Cc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000647800744 395434503 /nfs/dbraw/zinc/43/45/03/395434503.db2.gz JQNHQBZSGQXCNJ-YIONKMFJSA-N 2 0 256.393 2.857 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000647803311 395435641 /nfs/dbraw/zinc/43/56/41/395435641.db2.gz TZJDJRWTQAREKY-SNVBAGLBSA-N 2 0 261.394 2.761 20 0 CFADRP COc1ccccc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647802422 395435674 /nfs/dbraw/zinc/43/56/74/395435674.db2.gz KVLPOJXIXHMZCD-QLFBSQMISA-N 2 0 286.419 2.662 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647802825 395436172 /nfs/dbraw/zinc/43/61/72/395436172.db2.gz VGHDFPVJZNBLKF-NWDGAFQWSA-N 2 0 250.361 2.920 20 0 CFADRP c1ccc(CCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814323 395438809 /nfs/dbraw/zinc/43/88/09/395438809.db2.gz IOXROGPSQQFVOO-UHFFFAOYSA-N 2 0 258.409 2.836 20 0 CFADRP Clc1ccccc1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814672 395438837 /nfs/dbraw/zinc/43/88/37/395438837.db2.gz ZEPVPBUHVYTBCW-UHFFFAOYSA-N 2 0 294.826 2.935 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647829596 395441155 /nfs/dbraw/zinc/44/11/55/395441155.db2.gz CHVVKGRSLKCPSO-CYBMUJFWSA-N 2 0 286.341 2.919 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000647829597 395441186 /nfs/dbraw/zinc/44/11/86/395441186.db2.gz CHVVKGRSLKCPSO-ZDUSSCGKSA-N 2 0 286.341 2.919 20 0 CFADRP C[N@H+](CCC[NH3+])CCOc1cc(Cl)cc(Cl)c1 ZINC000647848171 395445139 /nfs/dbraw/zinc/44/51/39/395445139.db2.gz IGQLULMSMRQWJK-UHFFFAOYSA-N 2 0 277.195 2.653 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000649572331 395528404 /nfs/dbraw/zinc/52/84/04/395528404.db2.gz SGDGUCGNQKZEMS-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)Cn1nccc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000648010548 395479455 /nfs/dbraw/zinc/47/94/55/395479455.db2.gz HQTSBDPRIWHPIQ-MRXNPFEDSA-N 2 0 292.471 2.845 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2CC(C)C)[C@H](C)C1 ZINC000648010119 395479912 /nfs/dbraw/zinc/47/99/12/395479912.db2.gz LIOXRXWDDWTQTE-WBVHZDCISA-N 2 0 292.471 2.701 20 0 CFADRP CC(C)Cn1nccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000648034188 395486505 /nfs/dbraw/zinc/48/65/05/395486505.db2.gz KQEXOFJKTBBPAR-FKEKPDDDSA-N 2 0 290.455 2.596 20 0 CFADRP c1ccc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)nc1 ZINC000649411722 395489050 /nfs/dbraw/zinc/48/90/50/395489050.db2.gz YZAVUNOMDQHWBN-QGZVFWFLSA-N 2 0 273.424 2.998 20 0 CFADRP CCc1cnc(C[N@H+](C)CCCC2CC[NH2+]CC2)s1 ZINC000649414276 395489880 /nfs/dbraw/zinc/48/98/80/395489880.db2.gz PTUXYZPNFWDBQG-UHFFFAOYSA-N 2 0 281.469 2.917 20 0 CFADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000649414167 395490228 /nfs/dbraw/zinc/49/02/28/395490228.db2.gz KGJIYJIWDKDUEK-RDJZCZTQSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000649417722 395490844 /nfs/dbraw/zinc/49/08/44/395490844.db2.gz CCLGJFWBWQEMDM-HUUCEWRRSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068306 395496049 /nfs/dbraw/zinc/49/60/49/395496049.db2.gz PNQJLMVUGFIIRR-PQEBFOHHSA-N 2 0 290.476 2.673 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000037413538 543029288 /nfs/dbraw/zinc/02/92/88/543029288.db2.gz OPZDZGNSMFTTTR-CHWSQXEVSA-N 2 0 290.407 2.796 20 0 CFADRP COC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000346442694 292055567 /nfs/dbraw/zinc/05/55/67/292055567.db2.gz GKDRMAVULCXPOS-GOEBONIOSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H]([NH2+]CCc1ccsc1)C1CC[NH+](C)CC1 ZINC000042599951 543061075 /nfs/dbraw/zinc/06/10/75/543061075.db2.gz RPWMPPWZQIXYAK-LBPRGKRZSA-N 2 0 252.427 2.611 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000381769243 543090906 /nfs/dbraw/zinc/09/09/06/543090906.db2.gz JBWQUSGZIQBDRU-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc3cccnc31)C2 ZINC000314159692 413096673 /nfs/dbraw/zinc/09/66/73/413096673.db2.gz IBIGDACIHAXHLD-WMZOPIPTSA-N 2 0 281.403 2.796 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401043898 413160305 /nfs/dbraw/zinc/16/03/05/413160305.db2.gz UZEFXVDATUJZRU-RBGFHDKUSA-N 2 0 250.430 2.933 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401006401 413160528 /nfs/dbraw/zinc/16/05/28/413160528.db2.gz JTPOHLXFFPPRLH-ARFHVFGLSA-N 2 0 274.408 2.563 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400999669 413160682 /nfs/dbraw/zinc/16/06/82/413160682.db2.gz GHAWJBUAUQZASW-FRRDWIJNSA-N 2 0 250.411 2.534 20 0 CFADRP CC1(C)C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000401046647 413160692 /nfs/dbraw/zinc/16/06/92/413160692.db2.gz WEWPHDFPOPICDN-JHJVBQTASA-N 2 0 250.430 2.646 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401020576 413161004 /nfs/dbraw/zinc/16/10/04/413161004.db2.gz KOIYYYODWCYDCE-OWCLPIDISA-N 2 0 250.430 2.935 20 0 CFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401063910 413159288 /nfs/dbraw/zinc/15/92/88/413159288.db2.gz HUADPSXSZOSNKZ-IGQOVBAYSA-N 2 0 272.383 2.790 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401020266 413159523 /nfs/dbraw/zinc/15/95/23/413159523.db2.gz KLBISPDJRALPTN-ZMSDIMECSA-N 2 0 276.399 2.654 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccncc1 ZINC000650758419 397885430 /nfs/dbraw/zinc/88/54/30/397885430.db2.gz PEKVNXIBIMQNDF-CYBMUJFWSA-N 2 0 255.365 2.652 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@@H]1CCCC[NH2+]1 ZINC000650759458 397885561 /nfs/dbraw/zinc/88/55/61/397885561.db2.gz JWDHXOFQXFWBKD-UAGQMJEPSA-N 2 0 287.451 2.924 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650760031 397886308 /nfs/dbraw/zinc/88/63/08/397886308.db2.gz VVKUDHHSWQRHRQ-BMFZPTHFSA-N 2 0 273.424 2.534 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000650762680 397887138 /nfs/dbraw/zinc/88/71/38/397887138.db2.gz HTPDIGKOVCHRAT-BBWFWOEESA-N 2 0 280.456 2.561 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650703241 397860071 /nfs/dbraw/zinc/86/00/71/397860071.db2.gz QSKMTVMRTVJWCI-ZFWWWQNUSA-N 2 0 258.409 2.735 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707642 397860989 /nfs/dbraw/zinc/86/09/89/397860989.db2.gz KAVFIYKQGSAIRT-JONQDZQNSA-N 2 0 268.445 2.641 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)s1 ZINC000650763311 397887770 /nfs/dbraw/zinc/88/77/70/397887770.db2.gz XMUSZLTVQIIPKY-SNVBAGLBSA-N 2 0 267.442 2.800 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709380 397861647 /nfs/dbraw/zinc/86/16/47/397861647.db2.gz XDXFKTORYICETG-LVPXMUDFSA-N 2 0 286.419 2.769 20 0 CFADRP CC(C)[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000650763159 397887883 /nfs/dbraw/zinc/88/78/83/397887883.db2.gz SUBCVJJPWKMACL-INIZCTEOSA-N 2 0 279.403 2.897 20 0 CFADRP CC[C@H](OCC[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000650710678 397862444 /nfs/dbraw/zinc/86/24/44/397862444.db2.gz WRNUVTVAFQFVBW-SJORKVTESA-N 2 0 276.424 2.886 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650712495 397865070 /nfs/dbraw/zinc/86/50/70/397865070.db2.gz GMFLBHPICXXEOI-UHFFFAOYSA-N 2 0 267.442 2.659 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000650713748 397865875 /nfs/dbraw/zinc/86/58/75/397865875.db2.gz AEDFEGPCCGGMPH-UHFFFAOYSA-N 2 0 274.408 2.694 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650713858 397866003 /nfs/dbraw/zinc/86/60/03/397866003.db2.gz GIQBNHLKZDMQFQ-AWEZNQCLSA-N 2 0 276.424 2.735 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](COC)CC(C)C ZINC000650720320 397869211 /nfs/dbraw/zinc/86/92/11/397869211.db2.gz LKBUEKHCTCQYRU-INIZCTEOSA-N 2 0 264.413 2.557 20 0 CFADRP CCCC[C@H](COC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720609 397869237 /nfs/dbraw/zinc/86/92/37/397869237.db2.gz VVIHSGVIIAXSQW-MRXNPFEDSA-N 2 0 264.413 2.701 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000650721621 397870244 /nfs/dbraw/zinc/87/02/44/397870244.db2.gz UAZPWUOCTIAIBM-CQSZACIVSA-N 2 0 295.452 2.555 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650721896 397870278 /nfs/dbraw/zinc/87/02/78/397870278.db2.gz FJRVCWKRUJHGGE-RRFJBIMHSA-N 2 0 294.464 2.917 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763663 397888567 /nfs/dbraw/zinc/88/85/67/397888567.db2.gz GPWCVEGGJBXPSW-GFCCVEGCSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000650764212 397888637 /nfs/dbraw/zinc/88/86/37/397888637.db2.gz SUOPHRFKKPQMCC-GFCCVEGCSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000650764350 397888664 /nfs/dbraw/zinc/88/86/64/397888664.db2.gz WQEBAADQIMXMSI-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000650740090 397874217 /nfs/dbraw/zinc/87/42/17/397874217.db2.gz GGZOPCGJQNWLTD-RCCFBDPRSA-N 2 0 295.515 2.865 20 0 CFADRP CC[C@H](OCC[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000650741555 397875733 /nfs/dbraw/zinc/87/57/33/397875733.db2.gz GLJYHGREGZEBFN-JYJNAYRXSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)CCC2 ZINC000650742646 397876476 /nfs/dbraw/zinc/87/64/76/397876476.db2.gz AWCLXNGNDPRZFO-CYBMUJFWSA-N 2 0 258.409 2.955 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000650742055 397876565 /nfs/dbraw/zinc/87/65/65/397876565.db2.gz QJKRMFTWZSYTBU-BTFPBAQTSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1F ZINC000650743622 397877520 /nfs/dbraw/zinc/87/75/20/397877520.db2.gz XQMSEKADIBKVLX-JTQLQIEISA-N 2 0 254.324 2.744 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000650744244 397878178 /nfs/dbraw/zinc/87/81/78/397878178.db2.gz JGXWFQUQIPHEOZ-LBPRGKRZSA-N 2 0 250.411 2.844 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C2CC2)c1 ZINC000650745209 397878714 /nfs/dbraw/zinc/87/87/14/397878714.db2.gz BQCTUFHYHQIRGL-QGZVFWFLSA-N 2 0 288.435 2.735 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000650745405 397878829 /nfs/dbraw/zinc/87/88/29/397878829.db2.gz GFWYSSJKTVHJAT-RDJZCZTQSA-N 2 0 288.435 2.873 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000650745406 397878978 /nfs/dbraw/zinc/87/89/78/397878978.db2.gz GFWYSSJKTVHJAT-WBVHZDCISA-N 2 0 288.435 2.873 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650747128 397879958 /nfs/dbraw/zinc/87/99/58/397879958.db2.gz SNMRYCKSFBAJCE-HNNXBMFYSA-N 2 0 274.408 2.791 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1OC ZINC000650747395 397880520 /nfs/dbraw/zinc/88/05/20/397880520.db2.gz ZIEOBSGBTMDMKV-CYBMUJFWSA-N 2 0 292.423 2.792 20 0 CFADRP CC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403888107 413181811 /nfs/dbraw/zinc/18/18/11/413181811.db2.gz WARFZFVRRXXXOD-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423101852 296575753 /nfs/dbraw/zinc/57/57/53/296575753.db2.gz DHPPZEIJGBJGLV-MNOVXSKESA-N 2 0 264.335 2.697 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CCCCC1 ZINC000421865679 292146410 /nfs/dbraw/zinc/14/64/10/292146410.db2.gz ZTHDJFCJLKSNIL-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255361 413196180 /nfs/dbraw/zinc/19/61/80/413196180.db2.gz BNJUWUPGMOUFDH-FXUDXRNXSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH2+]CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404318875 413198617 /nfs/dbraw/zinc/19/86/17/413198617.db2.gz IKJZDUWUYPNYOS-GVDBMIGSSA-N 2 0 289.467 2.579 20 0 CFADRP CC[NH+]1CCC(CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663418651 413199774 /nfs/dbraw/zinc/19/97/74/413199774.db2.gz LBUWKCUFGWQBTO-UHFFFAOYSA-N 2 0 258.369 2.707 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000404395462 413200924 /nfs/dbraw/zinc/20/09/24/413200924.db2.gz OGCQSUGLQJTSIH-GOEBONIOSA-N 2 0 262.397 2.515 20 0 CFADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404383344 413201697 /nfs/dbraw/zinc/20/16/97/413201697.db2.gz NKGFULYAALVKPK-HUUCEWRRSA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000404426800 413207891 /nfs/dbraw/zinc/20/78/91/413207891.db2.gz MEEZSAQGOFDLDI-CJNGLKHVSA-N 2 0 280.387 2.654 20 0 CFADRP CC(C)O[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000404556202 413208045 /nfs/dbraw/zinc/20/80/45/413208045.db2.gz ZKCSSMJAIKEPFI-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000356127391 155168635 /nfs/dbraw/zinc/16/86/35/155168635.db2.gz OHXUJRVXCVVJLK-WBVHZDCISA-N 2 0 294.483 2.757 20 0 CFADRP FC1(F)CC12CC[NH+](CCCC1CC[NH2+]CC1)CC2 ZINC000405116261 413218266 /nfs/dbraw/zinc/21/82/66/413218266.db2.gz SHIHASXJLRBINP-UHFFFAOYSA-N 2 0 272.383 2.887 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404920981 413218507 /nfs/dbraw/zinc/21/85/07/413218507.db2.gz YBYZYXBMWUGKHR-CABCVRRESA-N 2 0 258.409 2.648 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)CC(C)C ZINC000417388574 286013229 /nfs/dbraw/zinc/01/32/29/286013229.db2.gz ZVWYDQUEQBIJKI-JONQDZQNSA-N 2 0 268.445 2.510 20 0 CFADRP CCC[N@H+](CCc1cccs1)C[C@H](O)C[NH+](C)C(C)C ZINC000660286011 413220517 /nfs/dbraw/zinc/22/05/17/413220517.db2.gz RKOSDMSBLINOGQ-OAHLLOKOSA-N 2 0 298.496 2.704 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000405437971 413221539 /nfs/dbraw/zinc/22/15/39/413221539.db2.gz KBVSSIBXASARPZ-SJLPKXTDSA-N 2 0 284.403 2.635 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)s2)C[C@H]1C[NH3+] ZINC000405780204 413221664 /nfs/dbraw/zinc/22/16/64/413221664.db2.gz MEEDRLHAISRYMH-TZMCWYRMSA-N 2 0 296.480 2.841 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256429 286023031 /nfs/dbraw/zinc/02/30/31/286023031.db2.gz BXWWWOSQYOXCRU-INMHGKMJSA-N 2 0 276.424 2.742 20 0 CFADRP CCCn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656784782 413223417 /nfs/dbraw/zinc/22/34/17/413223417.db2.gz HGJPPKMMDSCPLX-QGZVFWFLSA-N 2 0 290.455 2.505 20 0 CFADRP C[C@H](CC1CC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467499 413223702 /nfs/dbraw/zinc/22/37/02/413223702.db2.gz GGAJVJPPBDXOOK-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784590 413223987 /nfs/dbraw/zinc/22/39/87/413223987.db2.gz FWDUGWVWVAWLJJ-OAHLLOKOSA-N 2 0 277.412 2.503 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785960 413224065 /nfs/dbraw/zinc/22/40/65/413224065.db2.gz OKTHMQAPIGLAKA-AWEZNQCLSA-N 2 0 264.438 2.960 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466537 413225274 /nfs/dbraw/zinc/22/52/74/413225274.db2.gz VEFJAYARLLIZIW-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466920 413224818 /nfs/dbraw/zinc/22/48/18/413224818.db2.gz BHPJJBGLTPCRNJ-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1csc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656783847 413225375 /nfs/dbraw/zinc/22/53/75/413225375.db2.gz ATUCPCLENGSYJC-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786236 413226086 /nfs/dbraw/zinc/22/60/86/413226086.db2.gz QMFPSKASBAYDBD-HNNXBMFYSA-N 2 0 293.480 2.972 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1C ZINC000663464898 413226348 /nfs/dbraw/zinc/22/63/48/413226348.db2.gz GQWNIGZCRNNHAX-XOUADPBQSA-N 2 0 250.430 2.743 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000090457484 286049272 /nfs/dbraw/zinc/04/92/72/286049272.db2.gz CSFAOSOKYZMRBU-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423127853 292193559 /nfs/dbraw/zinc/19/35/59/292193559.db2.gz PSIYWTQDUUTFRY-ZIAGYGMSSA-N 2 0 256.434 2.689 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656787258 413228016 /nfs/dbraw/zinc/22/80/16/413228016.db2.gz VTQAKZUVZBAJLD-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000376559982 286069389 /nfs/dbraw/zinc/06/93/89/286069389.db2.gz BHCUIAPPOMSUFU-HOCLYGCPSA-N 2 0 266.429 2.551 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663469931 413228628 /nfs/dbraw/zinc/22/86/28/413228628.db2.gz RSAAXPDKHUGDNC-YESZJQIVSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cncs1 ZINC000663468296 413229142 /nfs/dbraw/zinc/22/91/42/413229142.db2.gz LJTKXZLSRITOON-OCCSQVGLSA-N 2 0 279.453 2.916 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC000663468045 413230620 /nfs/dbraw/zinc/23/06/20/413230620.db2.gz JZRQEWYQWGQQNA-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200493 413236739 /nfs/dbraw/zinc/23/67/39/413236739.db2.gz GFPDSHPFHMQUJP-ZBFHGGJFSA-N 2 0 297.487 2.521 20 0 CFADRP Cc1ccc(CCC[N@@H+](CCO)[C@H]2CC[C@H](C)C2)cn1 ZINC000356351760 155236643 /nfs/dbraw/zinc/23/66/43/155236643.db2.gz AMVVDQBPTMCXLI-YOEHRIQHSA-N 2 0 276.424 2.806 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[C@H]3CCC[N@H+](C)C3)C[C@H]2C1 ZINC000424338223 286115201 /nfs/dbraw/zinc/11/52/01/286115201.db2.gz UHJMQBCTQIXULY-NRKLIOEPSA-N 2 0 280.456 2.512 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000656792857 413239695 /nfs/dbraw/zinc/23/96/95/413239695.db2.gz ZIWNUZANRPKZFQ-MSOLQXFVSA-N 2 0 288.435 2.658 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000370130250 292215562 /nfs/dbraw/zinc/21/55/62/292215562.db2.gz CNFAQTLZYHBROS-KSZLIROESA-N 2 0 290.451 2.533 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000663498198 413240589 /nfs/dbraw/zinc/24/05/89/413240589.db2.gz MSCYWPBLZNUSIP-OAHLLOKOSA-N 2 0 290.386 2.679 20 0 CFADRP CCOC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000423067642 286169994 /nfs/dbraw/zinc/16/99/94/286169994.db2.gz HPONXYMJKGAXLC-CJNGLKHVSA-N 2 0 279.428 2.560 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccc1OCC1CC1 ZINC000663499311 413245637 /nfs/dbraw/zinc/24/56/37/413245637.db2.gz XSHQAZNOBZEILR-MRXNPFEDSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000663498582 413246830 /nfs/dbraw/zinc/24/68/30/413246830.db2.gz PTYSGYIJPMSLAK-CQSZACIVSA-N 2 0 286.366 2.794 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc2cnccc21 ZINC000663498713 413246872 /nfs/dbraw/zinc/24/68/72/413246872.db2.gz DNYXUQRYQBCEQD-MRXNPFEDSA-N 2 0 257.381 2.698 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000166038499 286198135 /nfs/dbraw/zinc/19/81/35/286198135.db2.gz WKNISCJDUNCWQP-YOEHRIQHSA-N 2 0 294.439 2.703 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000361928004 286198248 /nfs/dbraw/zinc/19/82/48/286198248.db2.gz UQEQVTXYMKBIOQ-NFSPANSCSA-N 2 0 294.483 2.758 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000423393320 297110034 /nfs/dbraw/zinc/11/00/34/297110034.db2.gz MDUDWHGKFCKHNU-XPKDYRNWSA-N 2 0 259.397 2.521 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000663504227 413250142 /nfs/dbraw/zinc/25/01/42/413250142.db2.gz WMYIAPRUMILFSR-CQSZACIVSA-N 2 0 292.452 2.612 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000663503692 413250342 /nfs/dbraw/zinc/25/03/42/413250342.db2.gz SPVJGBUONSGOKF-CYBMUJFWSA-N 2 0 258.768 2.942 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000663502123 413250685 /nfs/dbraw/zinc/25/06/85/413250685.db2.gz FZAGMQFEZSWTNK-HUUCEWRRSA-N 2 0 266.816 2.770 20 0 CFADRP Cc1cccc2c1CCC[C@H]2[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000663503232 413251118 /nfs/dbraw/zinc/25/11/18/413251118.db2.gz LVBUVUVPSIVKRW-IAGOWNOFSA-N 2 0 258.409 2.962 20 0 CFADRP COc1ccc2ccccc2c1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663507017 413254856 /nfs/dbraw/zinc/25/48/56/413254856.db2.gz RGCQHDFNTFYFQU-HZPDHXFCSA-N 2 0 288.366 2.720 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)CC[NH2+]CC1 ZINC000423413501 292247286 /nfs/dbraw/zinc/24/72/86/292247286.db2.gz ZEVYQUCOUVOEPV-JKSUJKDBSA-N 2 0 282.472 2.807 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCC1 ZINC000261689290 292247682 /nfs/dbraw/zinc/24/76/82/292247682.db2.gz HNYNJRLLYRSZDS-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000422785608 292256186 /nfs/dbraw/zinc/25/61/86/292256186.db2.gz PPVHHCXHBGJUFT-BZSNNMDCSA-N 2 0 289.467 2.847 20 0 CFADRP COCC1CCC([NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000449087992 292264633 /nfs/dbraw/zinc/26/46/33/292264633.db2.gz HGBSHDROGRPOTA-GTPINHCMSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC2([NH3+])CCC2)C(C)C)cc1 ZINC000423332016 286359025 /nfs/dbraw/zinc/35/90/25/286359025.db2.gz QKZAIJNNJNHYMZ-HNNXBMFYSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1 ZINC000423469160 286355723 /nfs/dbraw/zinc/35/57/23/286355723.db2.gz YOHYXBCJKICMKV-CHWSQXEVSA-N 2 0 250.386 2.782 20 0 CFADRP c1cc2c(cc[nH+]c2N2CC[C@H]([NH+]3CCCCC3)C2)[nH]1 ZINC000663576144 413276002 /nfs/dbraw/zinc/27/60/02/413276002.db2.gz CGGZWPPSKRSBER-ZDUSSCGKSA-N 2 0 270.380 2.628 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346847562 286362239 /nfs/dbraw/zinc/36/22/39/286362239.db2.gz PKUSAVDGAUXDFV-PBHICJAKSA-N 2 0 274.408 2.832 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356831919 155385914 /nfs/dbraw/zinc/38/59/14/155385914.db2.gz BIWUSZNWSNZESG-XHSDSOJGSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423206589 286389028 /nfs/dbraw/zinc/38/90/28/286389028.db2.gz GGAXHKUBGXYDLQ-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C12CCCC2 ZINC000423463454 286391091 /nfs/dbraw/zinc/39/10/91/286391091.db2.gz FZXWZBADIYSKPT-YHUYYLMFSA-N 2 0 280.456 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000164514974 286385218 /nfs/dbraw/zinc/38/52/18/286385218.db2.gz SHUFLWPYAHWVHV-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000422841923 286395568 /nfs/dbraw/zinc/39/55/68/286395568.db2.gz XGQBYTKJHUOXQP-YHUYYLMFSA-N 2 0 282.472 2.948 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000343268525 154163488 /nfs/dbraw/zinc/16/34/88/154163488.db2.gz FUZLNNUNDKUVTG-RCCFBDPRSA-N 2 0 295.515 2.673 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348113569 154326145 /nfs/dbraw/zinc/32/61/45/154326145.db2.gz XMTGCWHNMRTCCK-MSOLQXFVSA-N 2 0 288.435 2.905 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CCc2csc(C)n2)C[C@H]1C ZINC000348187081 154355060 /nfs/dbraw/zinc/35/50/60/154355060.db2.gz GHZKKECQWDVLFO-IUODEOHRSA-N 2 0 281.469 2.799 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000348204460 154360981 /nfs/dbraw/zinc/36/09/81/154360981.db2.gz SUHFUOIRVJYMGG-MWDXBVQZSA-N 2 0 294.483 2.996 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC1 ZINC000355726511 155066495 /nfs/dbraw/zinc/06/64/95/155066495.db2.gz HZVWRVWJWWOLDO-OAHLLOKOSA-N 2 0 270.461 2.638 20 0 CFADRP CCSCC[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000355760734 155078219 /nfs/dbraw/zinc/07/82/19/155078219.db2.gz XWSJPAWPLAJRSQ-UHFFFAOYSA-N 2 0 252.427 2.591 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000423375847 286493486 /nfs/dbraw/zinc/49/34/86/286493486.db2.gz YAJDPGCLSATSOD-KFWWJZLASA-N 2 0 268.445 2.702 20 0 CFADRP C(C[NH+]1CCOCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC000360189482 156047060 /nfs/dbraw/zinc/04/70/60/156047060.db2.gz UNFDTHYOLXCNRY-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](C)OC)CC1)CC1CC1 ZINC000360214357 156055541 /nfs/dbraw/zinc/05/55/41/156055541.db2.gz VRXWONDQCCUNMM-OAHLLOKOSA-N 2 0 282.472 2.855 20 0 CFADRP Fc1ccc2cc(C[NH2+][C@H]3CCN(C4CC4)C3)[nH]c2c1 ZINC000362916218 156113807 /nfs/dbraw/zinc/11/38/07/156113807.db2.gz FJNWBWHHEISRCM-ZDUSSCGKSA-N 2 0 273.355 2.633 20 0 CFADRP c1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363414613 156175499 /nfs/dbraw/zinc/17/54/99/156175499.db2.gz PLSYXSUAGCIBLK-KZNAEPCWSA-N 2 0 270.420 2.645 20 0 CFADRP CCOCC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000363646239 156191034 /nfs/dbraw/zinc/19/10/34/156191034.db2.gz VNHFLAZQNVEQCI-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363812337 156195498 /nfs/dbraw/zinc/19/54/98/156195498.db2.gz DAQNJYWJABTXTR-BRWVUGGUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000363983424 156213302 /nfs/dbraw/zinc/21/33/02/156213302.db2.gz MLUMHBFPTYOMBJ-DOTOQJQBSA-N 2 0 294.483 2.782 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(F)cn3)C2)CC1 ZINC000366862274 156247263 /nfs/dbraw/zinc/24/72/63/156247263.db2.gz AWWFBVQQMXHPMX-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP C([C@@H]1CCSC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000366914540 156254971 /nfs/dbraw/zinc/25/49/71/156254971.db2.gz WTDIUYSRZYQFIJ-HNNXBMFYSA-N 2 0 268.470 2.547 20 0 CFADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC000367117284 156283864 /nfs/dbraw/zinc/28/38/64/156283864.db2.gz NFDCODPRGJPJEP-SFHVURJKSA-N 2 0 293.499 2.526 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367327895 156315021 /nfs/dbraw/zinc/31/50/21/156315021.db2.gz VGLPDULBKQFJTR-RVKKMQEKSA-N 2 0 286.419 2.566 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367556370 156350134 /nfs/dbraw/zinc/35/01/34/156350134.db2.gz XVCYEXHVUWTHHK-BZUAXINKSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@H]2CCC[C@H]21 ZINC000367607131 156359798 /nfs/dbraw/zinc/35/97/98/156359798.db2.gz MNYRXOIDYRCHFL-XOKHGSTOSA-N 2 0 294.389 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000367614658 156362588 /nfs/dbraw/zinc/36/25/88/156362588.db2.gz IRISDZNUUPWHML-OWCLPIDISA-N 2 0 262.372 2.788 20 0 CFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367615191 156364473 /nfs/dbraw/zinc/36/44/73/156364473.db2.gz KIYOHRMFOLSSOG-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1c[nH]nc1-c1cccs1 ZINC000367729728 156383303 /nfs/dbraw/zinc/38/33/03/156383303.db2.gz VHXJTCLRIVAXMV-UHFFFAOYSA-N 2 0 292.452 2.912 20 0 CFADRP Cc1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)oc1C ZINC000374171145 157078218 /nfs/dbraw/zinc/07/82/18/157078218.db2.gz IMLIMZALZFJYLX-UHFFFAOYSA-N 2 0 277.412 2.599 20 0 CFADRP CCCCOC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170821 157078305 /nfs/dbraw/zinc/07/83/05/157078305.db2.gz HWMLPBNRVXUOJD-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1cccnc1)CC2)C1CC1 ZINC000374309097 157097948 /nfs/dbraw/zinc/09/79/48/157097948.db2.gz IDXIIQZSFOBBED-MRXNPFEDSA-N 2 0 285.435 2.778 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000374613286 157138015 /nfs/dbraw/zinc/13/80/15/157138015.db2.gz OHEXDHBNPDYRJA-NVXWUHKLSA-N 2 0 292.398 2.763 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)C1CCC1 ZINC000375057577 157190458 /nfs/dbraw/zinc/19/04/58/157190458.db2.gz GDSFKFDAVKXKQI-YSVLISHTSA-N 2 0 290.455 2.581 20 0 CFADRP C(CN1CCO[C@H](C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000375246621 157212278 /nfs/dbraw/zinc/21/22/78/157212278.db2.gz WXGYMVCKZWNLOU-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000375767788 157282533 /nfs/dbraw/zinc/28/25/33/157282533.db2.gz IWBZJLYXKQLWJG-RDJZCZTQSA-N 2 0 288.435 2.523 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000375842173 157294397 /nfs/dbraw/zinc/29/43/97/157294397.db2.gz UXINNRVOGIJFKO-UKRRQHHQSA-N 2 0 278.444 2.743 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccs2)[C@H]2CCC[C@@H]21 ZINC000375847376 157295906 /nfs/dbraw/zinc/29/59/06/157295906.db2.gz AOIMIZYLDCLWSN-RDBSUJKOSA-N 2 0 250.411 2.711 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)C1CC1 ZINC000376085055 157322324 /nfs/dbraw/zinc/32/23/24/157322324.db2.gz UUCUKEJDAPRTGI-CABCVRRESA-N 2 0 290.455 2.520 20 0 CFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653549847 413358148 /nfs/dbraw/zinc/35/81/48/413358148.db2.gz IDPHNZFQBGCQKZ-AWEZNQCLSA-N 2 0 282.472 2.590 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000651225629 413358694 /nfs/dbraw/zinc/35/86/94/413358694.db2.gz ZADLMAPXPODOIT-HNNXBMFYSA-N 2 0 272.436 2.865 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000181519280 292382496 /nfs/dbraw/zinc/38/24/96/292382496.db2.gz QBABBPTZLXIAFG-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422829244 286709436 /nfs/dbraw/zinc/70/94/36/286709436.db2.gz BOAZJPPNVUBHFJ-RFQIPJPRSA-N 2 0 256.459 2.781 20 0 CFADRP Cc1cc(C(F)(F)F)cc(N(C)CC[N@H+](C)C2CC2)n1 ZINC000663809777 413389013 /nfs/dbraw/zinc/38/90/13/413389013.db2.gz DPQYOAAXWBYQME-UHFFFAOYSA-N 2 0 287.329 2.939 20 0 CFADRP CCN(CCC[NH+]1CCCC1)c1[nH+]ccc2[nH]ccc21 ZINC000663841819 413406505 /nfs/dbraw/zinc/40/65/05/413406505.db2.gz LJOPLXAAJTYRKH-UHFFFAOYSA-N 2 0 272.396 2.875 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCn3cncc3C2)cc1 ZINC000660581575 413409717 /nfs/dbraw/zinc/40/97/17/413409717.db2.gz HHFZLOYFLQUHNB-UHFFFAOYSA-N 2 0 255.365 2.640 20 0 CFADRP C[C@H](CC[N@@H+]1CCn2cncc2C1)OCc1ccccc1 ZINC000660582059 413410130 /nfs/dbraw/zinc/41/01/30/413410130.db2.gz OBBJITUEZVVCOA-OAHLLOKOSA-N 2 0 285.391 2.694 20 0 CFADRP CCN(CCC[NH2+]Cc1cnc2n1CCC2)c1ccccc1 ZINC000657297051 413412879 /nfs/dbraw/zinc/41/28/79/413412879.db2.gz ZUOGEWUSTYKUTN-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346208680 298379600 /nfs/dbraw/zinc/37/96/00/298379600.db2.gz MLFDQKYHNOIQMH-GRYCIOLGSA-N 2 0 264.335 2.934 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000657305940 413422355 /nfs/dbraw/zinc/42/23/55/413422355.db2.gz ONCXHJAOBJSLLU-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000657305942 413424214 /nfs/dbraw/zinc/42/42/14/413424214.db2.gz ONCXHJAOBJSLLU-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651377628 413430004 /nfs/dbraw/zinc/43/00/04/413430004.db2.gz QPJHRPLEWPSTCF-WCQYABFASA-N 2 0 296.377 2.664 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000657314165 413432975 /nfs/dbraw/zinc/43/29/75/413432975.db2.gz WURMJZWZOLOFFE-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657315960 413435928 /nfs/dbraw/zinc/43/59/28/413435928.db2.gz VZNGQFMHYGAQMC-AWEZNQCLSA-N 2 0 271.408 2.908 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000343893156 161888203 /nfs/dbraw/zinc/88/82/03/161888203.db2.gz IWXCCWVDWKFXKJ-UHFFFAOYSA-N 2 0 290.436 2.637 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000344305386 162002415 /nfs/dbraw/zinc/00/24/15/162002415.db2.gz XGSHPDHSBLXBFH-CYBMUJFWSA-N 2 0 287.407 2.558 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344330184 162013968 /nfs/dbraw/zinc/01/39/68/162013968.db2.gz NTJNHSBXUZWGRA-CVEARBPZSA-N 2 0 280.456 2.822 20 0 CFADRP CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000344619212 162082630 /nfs/dbraw/zinc/08/26/30/162082630.db2.gz WAEVDWVFWJBXFF-ZIAGYGMSSA-N 2 0 275.396 2.529 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)Oc1cccc(F)c1 ZINC000344704248 162103048 /nfs/dbraw/zinc/10/30/48/162103048.db2.gz VLSOCEAIHSWMRS-XNRPHZJLSA-N 2 0 280.387 2.523 20 0 CFADRP CCN1C[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000344710579 162105044 /nfs/dbraw/zinc/10/50/44/162105044.db2.gz FYVCQCSHVXAFJY-XEZPLFJOSA-N 2 0 280.387 2.523 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CC2CCCC2)CC1 ZINC000344732069 162111018 /nfs/dbraw/zinc/11/10/18/162111018.db2.gz HBYUUQCVHXLYOT-OAHLLOKOSA-N 2 0 282.472 2.780 20 0 CFADRP CCCOc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000345147094 162186778 /nfs/dbraw/zinc/18/67/78/162186778.db2.gz UXJAOCKQDLNTSX-UHFFFAOYSA-N 2 0 274.408 2.827 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000345171226 162193929 /nfs/dbraw/zinc/19/39/29/162193929.db2.gz USKGGROMWLIYCE-IHWYPQMZSA-N 2 0 260.356 2.690 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000345180645 162194651 /nfs/dbraw/zinc/19/46/51/162194651.db2.gz CAERUBJLFWTKSD-UHFFFAOYSA-N 2 0 256.349 2.784 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC(C)C ZINC000346207122 162350766 /nfs/dbraw/zinc/35/07/66/162350766.db2.gz MEIKZUPHKVPBCG-UHFFFAOYSA-N 2 0 258.369 2.664 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CCC1 ZINC000346208145 162351408 /nfs/dbraw/zinc/35/14/08/162351408.db2.gz SHMPZMCJEBFKLK-UHFFFAOYSA-N 2 0 256.353 2.560 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000346217942 162355778 /nfs/dbraw/zinc/35/57/78/162355778.db2.gz LOTCGMPDJAPTAE-LLVKDONJSA-N 2 0 267.442 2.798 20 0 CFADRP CC[NH2+]CC1CC[NH+](CC2(CC)CCOCC2)CC1 ZINC000347221135 162629417 /nfs/dbraw/zinc/62/94/17/162629417.db2.gz UCQUUYNSNMRZLS-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CCCCCC1 ZINC000349667815 163000763 /nfs/dbraw/zinc/00/07/63/163000763.db2.gz QFRKTXJCYXPNQA-UHFFFAOYSA-N 2 0 256.434 2.657 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc3c[nH]nc32)CC1 ZINC000349792321 163018336 /nfs/dbraw/zinc/01/83/36/163018336.db2.gz WLBAJZSZUMSDBT-UHFFFAOYSA-N 2 0 286.423 2.868 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000350144454 163062894 /nfs/dbraw/zinc/06/28/94/163062894.db2.gz DDMGZDSYHAQKMY-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000350200004 163065519 /nfs/dbraw/zinc/06/55/19/163065519.db2.gz CAETZXPQWFVRIY-RDJZCZTQSA-N 2 0 291.439 2.575 20 0 CFADRP COc1ccccc1/C=C/C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350185805 163066321 /nfs/dbraw/zinc/06/63/21/163066321.db2.gz YAMJNPBFJXSKSX-SOFGYWHQSA-N 2 0 288.435 2.982 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C)cc1C ZINC000350270703 163069461 /nfs/dbraw/zinc/06/94/61/163069461.db2.gz UDPHZHGENVWPHJ-UHFFFAOYSA-N 2 0 278.440 2.751 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000350264801 163070783 /nfs/dbraw/zinc/07/07/83/163070783.db2.gz KMVRVTBUMYFKBL-UHFFFAOYSA-N 2 0 282.403 2.582 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000351567839 163149196 /nfs/dbraw/zinc/14/91/96/163149196.db2.gz KLPQHDBGVTWMJP-MRXNPFEDSA-N 2 0 272.436 2.949 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000351849068 163202874 /nfs/dbraw/zinc/20/28/74/163202874.db2.gz FJKAFYAAPLJYQU-JSGCOSHPSA-N 2 0 266.816 2.942 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000351866383 163206401 /nfs/dbraw/zinc/20/64/01/163206401.db2.gz SHXNXCAFCXMXLH-GOEBONIOSA-N 2 0 288.435 2.984 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)n1 ZINC000351860701 163206520 /nfs/dbraw/zinc/20/65/20/163206520.db2.gz HZXGTQHOYJJBGP-NVXWUHKLSA-N 2 0 298.434 2.658 20 0 CFADRP Cc1cnn(C)c1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000352763790 163227995 /nfs/dbraw/zinc/22/79/95/163227995.db2.gz HJYUMMCCEOOQIH-UHFFFAOYSA-N 2 0 292.471 2.576 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000352834499 163247103 /nfs/dbraw/zinc/24/71/03/163247103.db2.gz ISTQHPYTPJHJLD-HYVNUMGLSA-N 2 0 282.472 2.925 20 0 CFADRP COC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352835660 163247879 /nfs/dbraw/zinc/24/78/79/163247879.db2.gz ZDIZHNUFBFODPG-SJLPKXTDSA-N 2 0 288.435 2.619 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000352842099 163249688 /nfs/dbraw/zinc/24/96/88/163249688.db2.gz AMRYTZURQYHKNE-JQHSSLGASA-N 2 0 294.483 2.805 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC000660641551 413456555 /nfs/dbraw/zinc/45/65/55/413456555.db2.gz HKDNVEOYNRIBIR-NCOADZHNSA-N 2 0 262.441 2.840 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cn1 ZINC000352901712 163266305 /nfs/dbraw/zinc/26/63/05/163266305.db2.gz QGSKIBATEKAWHU-XEZPLFJOSA-N 2 0 276.428 2.597 20 0 CFADRP CCC[C@@H](C)C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353194976 163315269 /nfs/dbraw/zinc/31/52/69/163315269.db2.gz QKWZZVZRFSLLRH-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000353232528 163322641 /nfs/dbraw/zinc/32/26/41/163322641.db2.gz WDJSCSSFPWOJRG-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000353346988 163347982 /nfs/dbraw/zinc/34/79/82/163347982.db2.gz MZMWVPXSGBXDIP-SJLPKXTDSA-N 2 0 298.434 2.526 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000353425992 163363766 /nfs/dbraw/zinc/36/37/66/163363766.db2.gz LCYVDDUQYDQEKR-MRXNPFEDSA-N 2 0 296.842 2.959 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353483874 163375010 /nfs/dbraw/zinc/37/50/10/163375010.db2.gz IGNNCJPCIORLIS-UKRRQHHQSA-N 2 0 278.444 2.581 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](CCC)CC1 ZINC000353485914 163375954 /nfs/dbraw/zinc/37/59/54/163375954.db2.gz WCENGUUUOIEEKD-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000353494104 163378488 /nfs/dbraw/zinc/37/84/88/163378488.db2.gz YORANPIVUSVVTF-KZNAEPCWSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353501027 163381186 /nfs/dbraw/zinc/38/11/86/163381186.db2.gz HNNNGJJFWPYDOD-PILAGYSTSA-N 2 0 288.435 2.786 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000353500898 163381210 /nfs/dbraw/zinc/38/12/10/163381210.db2.gz YGUKHGXOGWJUCS-HNNXBMFYSA-N 2 0 269.477 2.569 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(C)c1 ZINC000353574809 163396923 /nfs/dbraw/zinc/39/69/23/163396923.db2.gz MYKOUDIXVSFWQI-UHFFFAOYSA-N 2 0 290.451 2.846 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000353576071 163398518 /nfs/dbraw/zinc/39/85/18/163398518.db2.gz MVGOYGAUIKVMQY-WMLDXEAASA-N 2 0 288.435 2.657 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353623788 163411526 /nfs/dbraw/zinc/41/15/26/163411526.db2.gz RXIRQRQUGGCOFG-NNZPWHBESA-N 2 0 268.445 2.508 20 0 CFADRP CCCn1nccc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000657331653 413459960 /nfs/dbraw/zinc/45/99/60/413459960.db2.gz KGYSZMVJNZBDTG-UHFFFAOYSA-N 2 0 297.406 2.892 20 0 CFADRP C[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422960847 287009260 /nfs/dbraw/zinc/00/92/60/287009260.db2.gz XXZWSAZEAPNGIN-ZBFHGGJFSA-N 2 0 258.409 2.882 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@]1(C)CCCO1 ZINC000340184241 287025278 /nfs/dbraw/zinc/02/52/78/287025278.db2.gz RIFDXEOQJJJNHI-OAGGEKHMSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356825906 287022330 /nfs/dbraw/zinc/02/23/30/287022330.db2.gz AYGZEALXRIEVQJ-BRWVUGGUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422818455 287029794 /nfs/dbraw/zinc/02/97/94/287029794.db2.gz GEKJYFVLUMXLEX-JZXOWHBKSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000423171571 287034445 /nfs/dbraw/zinc/03/44/45/287034445.db2.gz OZXHAHUOUZPFNI-DAXOMENPSA-N 2 0 258.409 2.624 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCOC(C)(C)C)C2 ZINC000660657891 413471446 /nfs/dbraw/zinc/47/14/46/413471446.db2.gz BUFVSTQZFWKMMH-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169676 287150970 /nfs/dbraw/zinc/15/09/70/287150970.db2.gz HEZBLZDWBSPGPF-QWHCGFSZSA-N 2 0 250.361 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000005845533 170146746 /nfs/dbraw/zinc/14/67/46/170146746.db2.gz MUUPYBQXXHGUNL-XXXXFFMBSA-N 2 0 262.441 2.743 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000284327347 196031545 /nfs/dbraw/zinc/03/15/45/196031545.db2.gz IJYUFROKKFXZSV-AEFFLSMTSA-N 2 0 288.435 2.792 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000284496407 196070539 /nfs/dbraw/zinc/07/05/39/196070539.db2.gz VMIFHLLLPZLUIG-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020128389 171015675 /nfs/dbraw/zinc/01/56/75/171015675.db2.gz URMKLZMUKWKJHX-AWEZNQCLSA-N 2 0 295.858 2.628 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000020129024 171016224 /nfs/dbraw/zinc/01/62/24/171016224.db2.gz JLUIAZTXFSLKEA-CYBMUJFWSA-N 2 0 250.361 2.962 20 0 CFADRP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000020523948 171236270 /nfs/dbraw/zinc/23/62/70/171236270.db2.gz MTAOWYJEONELPG-FBVQUNGASA-N 2 0 287.451 2.504 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(C)(C)C2CC2)CC1 ZINC000653755463 413481448 /nfs/dbraw/zinc/48/14/48/413481448.db2.gz ZSWGGBVCPIERLW-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CO1 ZINC000657357776 413490917 /nfs/dbraw/zinc/49/09/17/413490917.db2.gz SCIOZQDSRKSDCN-DJIMGWMZSA-N 2 0 276.424 2.664 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000651473691 413491303 /nfs/dbraw/zinc/49/13/03/413491303.db2.gz AMLCBGWRYFIMAK-CQSZACIVSA-N 2 0 282.472 2.638 20 0 CFADRP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC000660675864 413492519 /nfs/dbraw/zinc/49/25/19/413492519.db2.gz NRBGSGAKKCUWLM-QGZVFWFLSA-N 2 0 288.435 2.667 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651677461 413561647 /nfs/dbraw/zinc/56/16/47/413561647.db2.gz JIQFDCVGTWEZDP-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676941 413562806 /nfs/dbraw/zinc/56/28/06/413562806.db2.gz SFFBZGWQJVWUCE-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CCN(CC)c1ccc(NCc2cnc3n2CCC3)cn1 ZINC000657412600 413568513 /nfs/dbraw/zinc/56/85/13/413568513.db2.gz HKGPLDCRIVIJCC-UHFFFAOYSA-N 2 0 285.395 2.683 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)CC(C)(C)C)CC1 ZINC000651705223 413581813 /nfs/dbraw/zinc/58/18/13/413581813.db2.gz LUOQJNRZIPLZPE-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000664138952 413587250 /nfs/dbraw/zinc/58/72/50/413587250.db2.gz NFYRSCLNFDGPQQ-NSHDSACASA-N 2 0 258.369 2.848 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](COC)CC(C)(C)C)[C@@H](C)C1 ZINC000651721747 413590518 /nfs/dbraw/zinc/59/05/18/413590518.db2.gz PEHIMYFLNPILTO-ZNMIVQPWSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000651733862 413596900 /nfs/dbraw/zinc/59/69/00/413596900.db2.gz VHLZCFUQJPTBEZ-LAVFITLUSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCC3)C1(C)C ZINC000657435805 413603823 /nfs/dbraw/zinc/60/38/23/413603823.db2.gz KQTRUVMOAPVVPT-ZIAGYGMSSA-N 2 0 277.412 2.511 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000657452772 413625817 /nfs/dbraw/zinc/62/58/17/413625817.db2.gz JPMTYQLFRPYGKN-KZNAEPCWSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ccnc(N[C@@H](C)CN(C)CCC[NH+](C)C)c1Cl ZINC000664197062 413629717 /nfs/dbraw/zinc/62/97/17/413629717.db2.gz QXJOAYXLZCVMDY-ZDUSSCGKSA-N 2 0 298.862 2.727 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+][C@@H]3CCc4nc[nH]c4C3)cc21 ZINC000657470278 413647184 /nfs/dbraw/zinc/64/71/84/413647184.db2.gz OVQWTOGYFXNTRY-GFCCVEGCSA-N 2 0 280.375 2.847 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000651833833 413675687 /nfs/dbraw/zinc/67/56/87/413675687.db2.gz QTBMEKDWHDKUJQ-SHARSMKWSA-N 2 0 270.461 2.900 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(C)c1 ZINC000657439534 413607122 /nfs/dbraw/zinc/60/71/22/413607122.db2.gz BBKWHTMWECCUFA-HNNXBMFYSA-N 2 0 285.391 2.695 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753577 413615324 /nfs/dbraw/zinc/61/53/24/413615324.db2.gz WJBGSPVKADONJN-IAGOWNOFSA-N 2 0 281.488 2.571 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](Cc3cccc4c3CCC4)[C@@H]2C1 ZINC000651756318 413620112 /nfs/dbraw/zinc/62/01/12/413620112.db2.gz RXXTTZATMBUQRW-CRAIPNDOSA-N 2 0 270.420 2.701 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651765300 413623094 /nfs/dbraw/zinc/62/30/94/413623094.db2.gz LIUZBAZHBWKALG-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000651864874 413686108 /nfs/dbraw/zinc/68/61/08/413686108.db2.gz HSGLLCCDZJUOIO-QDMKHBRRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000651865970 413687190 /nfs/dbraw/zinc/68/71/90/413687190.db2.gz OVVJBPYDBGANIW-INIZCTEOSA-N 2 0 294.487 2.963 20 0 CFADRP Cc1ccc2[nH+]ccc(N(C)CC3C[NH+](C)C3)c2c1 ZINC000664328409 413695717 /nfs/dbraw/zinc/69/57/17/413695717.db2.gz BQNVZFCZQFOFGR-UHFFFAOYSA-N 2 0 255.365 2.541 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H]1CCCOC1)C1CCCCC1 ZINC000651910487 413710234 /nfs/dbraw/zinc/71/02/34/413710234.db2.gz VTBMSAJMQPYWFY-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H]1CCO[C@@H]1C)C1CCCCC1 ZINC000651910060 413711142 /nfs/dbraw/zinc/71/11/42/413711142.db2.gz FVAHMICUIXRQBF-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000651928821 413719482 /nfs/dbraw/zinc/71/94/82/413719482.db2.gz VLMOYSPOGBCNFV-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+]C1CCCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657536628 413721854 /nfs/dbraw/zinc/72/18/54/413721854.db2.gz LOOADQWRAOGXOO-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000651948802 413735517 /nfs/dbraw/zinc/73/55/17/413735517.db2.gz WRCFGLZCPDBFMD-QGZVFWFLSA-N 2 0 276.424 2.749 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000657613332 413792245 /nfs/dbraw/zinc/79/22/45/413792245.db2.gz YSAUWKFIWQRWGY-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP CC[C@H](C)[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000661103256 413755388 /nfs/dbraw/zinc/75/53/88/413755388.db2.gz FPEXMFLUZFEZOD-INIZCTEOSA-N 2 0 269.477 2.523 20 0 CFADRP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000651983247 413758290 /nfs/dbraw/zinc/75/82/90/413758290.db2.gz UOTFZHABPFJROH-ZDUSSCGKSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1F ZINC000657573113 413761531 /nfs/dbraw/zinc/76/15/31/413761531.db2.gz JUXBOLJMKDEXFM-LSDHHAIUSA-N 2 0 295.446 2.748 20 0 CFADRP c1ccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccnc2c1 ZINC000657590395 413777188 /nfs/dbraw/zinc/77/71/88/413777188.db2.gz VSXIXROZOLZJIW-DLBZAZTESA-N 2 0 295.430 2.994 20 0 CFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3)cc2)C1 ZINC000657592751 413780333 /nfs/dbraw/zinc/78/03/33/413780333.db2.gz BIRLTFFGKAHORS-LJQANCHMSA-N 2 0 296.414 2.543 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccoc1 ZINC000657653407 413821533 /nfs/dbraw/zinc/82/15/33/413821533.db2.gz KSRHNJKMJVUYDK-UHFFFAOYSA-N 2 0 282.347 2.501 20 0 CFADRP Cc1[nH+]ccc(NCC2CC[NH+](CC3CC3)CC2)c1Cl ZINC000664647087 413883827 /nfs/dbraw/zinc/88/38/27/413883827.db2.gz MJTPNEJANVEGGL-UHFFFAOYSA-N 2 0 293.842 2.999 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000652222044 413835969 /nfs/dbraw/zinc/83/59/69/413835969.db2.gz DHJZBGUGIDCOIG-ARFHVFGLSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@]1(C)CC1(F)F ZINC000657664721 413836451 /nfs/dbraw/zinc/83/64/51/413836451.db2.gz IMTOUWDMXVKSOS-AWEZNQCLSA-N 2 0 292.333 2.711 20 0 CFADRP C[C@H](O)[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000652230520 413839630 /nfs/dbraw/zinc/83/96/30/413839630.db2.gz NNFLRZYBJVMEBS-DCGLDWPTSA-N 2 0 294.414 2.568 20 0 CFADRP Cc1cccn2c(C[NH2+]C[C@H]3CCC[C@@H](C)O3)cnc12 ZINC000657668853 413840650 /nfs/dbraw/zinc/84/06/50/413840650.db2.gz WOOZJIFPVTWXNU-UKRRQHHQSA-N 2 0 273.380 2.690 20 0 CFADRP C[N@H+](CCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527370 196316150 /nfs/dbraw/zinc/31/61/50/196316150.db2.gz OTBGTYXYBWHVIW-XYPWUTKMSA-N 2 0 274.408 2.622 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccccc2N(C)C)[C@H]1CC[NH3+] ZINC000652355951 413904953 /nfs/dbraw/zinc/90/49/53/413904953.db2.gz NWWCHNMLBUSAGS-HOCLYGCPSA-N 2 0 275.440 2.702 20 0 CFADRP CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361053 413906200 /nfs/dbraw/zinc/90/62/00/413906200.db2.gz XBDMIQJMESTJOQ-RRFJBIMHSA-N 2 0 254.418 2.537 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)n1 ZINC000652356055 413906481 /nfs/dbraw/zinc/90/64/81/413906481.db2.gz RCJLTMZJLWVPMS-MLGOLLRUSA-N 2 0 261.413 2.648 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCc2ccccc2)C1 ZINC000652360259 413906501 /nfs/dbraw/zinc/90/65/01/413906501.db2.gz DFPSIORIJUOUFN-KZNAEPCWSA-N 2 0 288.435 2.590 20 0 CFADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364572 413909872 /nfs/dbraw/zinc/90/98/72/413909872.db2.gz ZTKDKYHLZJACGX-UONOGXRCSA-N 2 0 276.399 2.787 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657871103 414017987 /nfs/dbraw/zinc/01/79/87/414017987.db2.gz GVCGGNDHMRQCTM-ZDUSSCGKSA-N 2 0 274.399 2.784 20 0 CFADRP c1csc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812910 413963408 /nfs/dbraw/zinc/96/34/08/413963408.db2.gz WGBBLAOPNBMZIB-UHFFFAOYSA-N 2 0 264.438 2.960 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657816347 413966083 /nfs/dbraw/zinc/96/60/83/413966083.db2.gz NAVIJXKVDJDVMU-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000661441555 413986581 /nfs/dbraw/zinc/98/65/81/413986581.db2.gz IDQVGOQQRUTSGW-YJBOKZPZSA-N 2 0 299.418 2.855 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657838595 413992041 /nfs/dbraw/zinc/99/20/41/413992041.db2.gz WCNVBUGVBMZSII-MRXNPFEDSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657845336 413995473 /nfs/dbraw/zinc/99/54/73/413995473.db2.gz VPLOADKZQSJPSX-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657841769 413996148 /nfs/dbraw/zinc/99/61/48/413996148.db2.gz RMQQJLTYJBIPHM-LJISPDSOSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H](C[NH2+]C1CC(CF)(CF)C1)C[NH+]1CCCCC1 ZINC000657841810 413996290 /nfs/dbraw/zinc/99/62/90/413996290.db2.gz GQXLEYYRGWWSLL-CYBMUJFWSA-N 2 0 274.399 2.786 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657845331 413996381 /nfs/dbraw/zinc/99/63/81/413996381.db2.gz VPLOADKZQSJPSX-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657931332 414062269 /nfs/dbraw/zinc/06/22/69/414062269.db2.gz LMZAXKMVTNPJFC-SLTAFYQDSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657933919 414062900 /nfs/dbraw/zinc/06/29/00/414062900.db2.gz YBSUWNWYJQPCLE-UHFFFAOYSA-N 2 0 274.399 2.784 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037408234 173184352 /nfs/dbraw/zinc/18/43/52/173184352.db2.gz IOPNEISHPWDNOS-HNNXBMFYSA-N 2 0 258.409 2.877 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCSCC1 ZINC000658044416 414129379 /nfs/dbraw/zinc/12/93/79/414129379.db2.gz ZZUYNMRBLBHUEC-AWEZNQCLSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658064549 414150666 /nfs/dbraw/zinc/15/06/66/414150666.db2.gz POKGRVYREZYATA-AWEZNQCLSA-N 2 0 273.424 2.649 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069729 414152856 /nfs/dbraw/zinc/15/28/56/414152856.db2.gz QVAJBQMOANRVSG-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@@H]1C ZINC000658070803 414153220 /nfs/dbraw/zinc/15/32/20/414153220.db2.gz RBXHVFPZUQRVMA-CPUCHLNUSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[C@H]1C ZINC000658070344 414153365 /nfs/dbraw/zinc/15/33/65/414153365.db2.gz OBTDGJXUDOXPDF-JLSDUUJJSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[C@@H]1C ZINC000658070352 414153675 /nfs/dbraw/zinc/15/36/75/414153675.db2.gz OBTDGJXUDOXPDF-WBAXXEDZSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc2ccncc2s1 ZINC000657987852 414089510 /nfs/dbraw/zinc/08/95/10/414089510.db2.gz UUZMQQSDTCMNRQ-GFCCVEGCSA-N 2 0 293.436 2.525 20 0 CFADRP FCC1(CF)CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000657999343 414099766 /nfs/dbraw/zinc/09/97/66/414099766.db2.gz HGCXTJYEDGYMME-UHFFFAOYSA-N 2 0 272.383 2.681 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263731 414221822 /nfs/dbraw/zinc/22/18/22/414221822.db2.gz SWLBVPQKTLGHKG-VSZNYVQBSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266884 414226260 /nfs/dbraw/zinc/22/62/60/414226260.db2.gz LHUJQXJZZCVNTN-CFVMTHIKSA-N 2 0 282.378 2.970 20 0 CFADRP CCC[C@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134529 414228997 /nfs/dbraw/zinc/22/89/97/414228997.db2.gz BCQCHVVVAUTRFC-ROUUACIJSA-N 2 0 290.451 2.922 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C/C=C\CO)CC1 ZINC000658138464 414229233 /nfs/dbraw/zinc/22/92/33/414229233.db2.gz LWRMWNIJFRMIPJ-WAYWQWQTSA-N 2 0 288.435 2.568 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000665272996 414229845 /nfs/dbraw/zinc/22/98/45/414229845.db2.gz OOBHEFNORBYWFB-PMPSAXMXSA-N 2 0 259.397 2.506 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000665275138 414235144 /nfs/dbraw/zinc/23/51/44/414235144.db2.gz CSRSCPKRLKKFST-IXDOHACOSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H](C)C1CCCCC1 ZINC000665277421 414237943 /nfs/dbraw/zinc/23/79/43/414237943.db2.gz BDMLIYXDXQEHCP-NNNQGMHWSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665236029 414190895 /nfs/dbraw/zinc/19/08/95/414190895.db2.gz FVEBUICWHYTOKR-COXVUDFISA-N 2 0 274.408 2.926 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000665232064 414191290 /nfs/dbraw/zinc/19/12/90/414191290.db2.gz FENDRGROPKKIBY-OLZOCXBDSA-N 2 0 284.407 2.698 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665235431 414193414 /nfs/dbraw/zinc/19/34/14/414193414.db2.gz VXGSDDXOLMGLFL-XEZPLFJOSA-N 2 0 264.388 2.795 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665234916 414193439 /nfs/dbraw/zinc/19/34/39/414193439.db2.gz MGSMCKPDNYOMLQ-MAZHCROVSA-N 2 0 264.388 2.877 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000665231987 414194344 /nfs/dbraw/zinc/19/43/44/414194344.db2.gz CNNLTSULGISKRG-ZFWWWQNUSA-N 2 0 273.380 2.620 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000665244634 414200347 /nfs/dbraw/zinc/20/03/47/414200347.db2.gz SCTBOFVMIYYFAL-QWHCGFSZSA-N 2 0 278.371 2.726 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665244204 414202167 /nfs/dbraw/zinc/20/21/67/414202167.db2.gz ILVYBJRFRRLEGV-RFUJCOMKSA-N 2 0 270.420 2.693 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246354 414204018 /nfs/dbraw/zinc/20/40/18/414204018.db2.gz CNQDPBUFHDSDHN-CQSZACIVSA-N 2 0 261.413 2.654 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1C ZINC000665245785 414206092 /nfs/dbraw/zinc/20/60/92/414206092.db2.gz REUMCRUSHYLREQ-PBHICJAKSA-N 2 0 260.425 2.824 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000665246059 414207410 /nfs/dbraw/zinc/20/74/10/414207410.db2.gz YAHQOLOZQOYYBX-BRWVUGGUSA-N 2 0 258.409 2.781 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106808 414207627 /nfs/dbraw/zinc/20/76/27/414207627.db2.gz DGSWCGVNQBJUMX-LSDHHAIUSA-N 2 0 297.512 2.979 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cs1 ZINC000658108006 414207994 /nfs/dbraw/zinc/20/79/94/414207994.db2.gz OPOHISPDQGLOSG-DZGCQCFKSA-N 2 0 297.512 2.979 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000658108348 414208038 /nfs/dbraw/zinc/20/80/38/414208038.db2.gz NLZXXQFHSGRPJM-IRXDYDNUSA-N 2 0 291.483 2.918 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665248725 414211109 /nfs/dbraw/zinc/21/11/09/414211109.db2.gz BETRKMXBRBWJNW-INIZCTEOSA-N 2 0 274.408 2.934 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278000 414240466 /nfs/dbraw/zinc/24/04/66/414240466.db2.gz RYNNJRKBQPZDMX-WIHSUSGWSA-N 2 0 276.399 2.734 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000665279739 414241709 /nfs/dbraw/zinc/24/17/09/414241709.db2.gz KRCVECHCWHGVRZ-IUODEOHRSA-N 2 0 280.412 2.728 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000665281410 414241960 /nfs/dbraw/zinc/24/19/60/414241960.db2.gz BLRGNYVDCDRSCU-GOEBONIOSA-N 2 0 263.429 2.756 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279820 414243695 /nfs/dbraw/zinc/24/36/95/414243695.db2.gz NAJWAKMACGCFRI-BNQMIIOLSA-N 2 0 285.435 2.758 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(F)cn1 ZINC000665281512 414244303 /nfs/dbraw/zinc/24/43/03/414244303.db2.gz FMZBENVIYYLOAY-CHWSQXEVSA-N 2 0 253.365 2.635 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CC2 ZINC000665280639 414244572 /nfs/dbraw/zinc/24/45/72/414244572.db2.gz IAGJNUQYYDTDHJ-CVEARBPZSA-N 2 0 262.397 2.646 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000665282434 414246301 /nfs/dbraw/zinc/24/63/01/414246301.db2.gz YDYMDYTZNRCXDS-GOEBONIOSA-N 2 0 286.423 2.896 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(C)cccc21 ZINC000665283438 414247561 /nfs/dbraw/zinc/24/75/61/414247561.db2.gz NXZCXEYPXVOOQP-PBHICJAKSA-N 2 0 276.424 2.716 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283936 414253084 /nfs/dbraw/zinc/25/30/84/414253084.db2.gz XMAWKJIRTMVTIS-UYSNPLJNSA-N 2 0 268.445 2.689 20 0 CFADRP c1coc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665283584 414254823 /nfs/dbraw/zinc/25/48/23/414254823.db2.gz QEGIWLRBXHMQJE-XHSDSOJGSA-N 2 0 262.397 2.723 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000658170662 414257584 /nfs/dbraw/zinc/25/75/84/414257584.db2.gz BWXBQZLKAPNKBN-YQQAZPJKSA-N 2 0 276.424 2.522 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C2CCC2)C1 ZINC000665285988 414259782 /nfs/dbraw/zinc/25/97/82/414259782.db2.gz BVJHLHLXQYSHRM-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658170952 414261504 /nfs/dbraw/zinc/26/15/04/414261504.db2.gz WENIFSIYEJGSDB-OFQRWUPVSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000665294291 414263247 /nfs/dbraw/zinc/26/32/47/414263247.db2.gz LVQJPPSRMSXECN-CYBMUJFWSA-N 2 0 294.443 2.581 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H]2CCC[C@@H]21 ZINC000658205814 414281602 /nfs/dbraw/zinc/28/16/02/414281602.db2.gz JTAZTHPYKAZWQM-NQCBRMCBSA-N 2 0 262.441 2.885 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000658205882 414281803 /nfs/dbraw/zinc/28/18/03/414281803.db2.gz KKWUGPUPLIWLGZ-OFQRWUPVSA-N 2 0 250.430 2.885 20 0 CFADRP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658226531 414298791 /nfs/dbraw/zinc/29/87/91/414298791.db2.gz JGZFYWKZRYQKAY-KRWDZBQOSA-N 2 0 293.499 2.857 20 0 CFADRP CC(C)COc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713470 173632371 /nfs/dbraw/zinc/63/23/71/173632371.db2.gz PYIYRAAJCOFILU-CYBMUJFWSA-N 2 0 250.386 2.721 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccccc1OC(F)F ZINC000037714892 173633293 /nfs/dbraw/zinc/63/32/93/173633293.db2.gz ILEZWOPXHQGEFT-SNVBAGLBSA-N 2 0 258.312 2.678 20 0 CFADRP CC(C)CCOc1ccc(C[NH2+]CCCC[NH3+])cc1 ZINC000037715165 173633682 /nfs/dbraw/zinc/63/36/82/173633682.db2.gz WHJDCPXOOJDCCJ-UHFFFAOYSA-N 2 0 264.413 2.940 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000658229422 414302273 /nfs/dbraw/zinc/30/22/73/414302273.db2.gz RSPFXNCRTXFKJD-RDJZCZTQSA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)[C@@H](C)C1 ZINC000658285769 414347580 /nfs/dbraw/zinc/34/75/80/414347580.db2.gz YEAUTUKQLZWGHY-SRVKXCTJSA-N 2 0 260.372 2.598 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000658351095 414395614 /nfs/dbraw/zinc/39/56/14/414395614.db2.gz BDFFKLQZNUTMMY-CJNGLKHVSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655691899 414369492 /nfs/dbraw/zinc/36/94/92/414369492.db2.gz ZYBXGEWHTVREAH-CVEARBPZSA-N 2 0 290.455 2.820 20 0 CFADRP CO[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000658314690 414371045 /nfs/dbraw/zinc/37/10/45/414371045.db2.gz JMHUNBJRUIYZSL-UYSNPLJNSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000658328839 414378325 /nfs/dbraw/zinc/37/83/25/414378325.db2.gz HVKYAWVZFYTMJH-PBHICJAKSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658330038 414379283 /nfs/dbraw/zinc/37/92/83/414379283.db2.gz BRLDYYDCGKXYDD-XBVQOTNRSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655722099 414391369 /nfs/dbraw/zinc/39/13/69/414391369.db2.gz WSUBSNCMRNAWIL-RDBSUJKOSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000655734256 414396976 /nfs/dbraw/zinc/39/69/76/414396976.db2.gz DBAQKSWXUJHRBI-URGYJCLVSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000655759689 414414431 /nfs/dbraw/zinc/41/44/31/414414431.db2.gz FPZWDAFBLGQQHR-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000655776837 414427872 /nfs/dbraw/zinc/42/78/72/414427872.db2.gz MHNKARRMZLELQM-ZIHBUVQPSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000662149449 414430334 /nfs/dbraw/zinc/43/03/34/414430334.db2.gz PCBQNKDZOIAKLV-QAPCUYQASA-N 2 0 294.483 2.734 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655784587 414432561 /nfs/dbraw/zinc/43/25/61/414432561.db2.gz DFEAFACHKXNXNQ-SJORKVTESA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000655804090 414448798 /nfs/dbraw/zinc/44/87/98/414448798.db2.gz OTMIHAFMLWFIHP-QEORTHHSSA-N 2 0 274.408 2.699 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000655803741 414448863 /nfs/dbraw/zinc/44/88/63/414448863.db2.gz XKPYGYQYGYKWCL-JCGIZDLHSA-N 2 0 272.436 2.864 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655805130 414449174 /nfs/dbraw/zinc/44/91/74/414449174.db2.gz CUYGFTPEDMJZHI-TVYUQYBPSA-N 2 0 267.442 2.751 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000655805002 414449235 /nfs/dbraw/zinc/44/92/35/414449235.db2.gz IBZBKPIJOIIAGQ-RWMBFGLXSA-N 2 0 250.386 2.833 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000655803898 414449310 /nfs/dbraw/zinc/44/93/10/414449310.db2.gz HEQXOFZKNBJLDV-SOUVJXGZSA-N 2 0 276.424 2.994 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000655804021 414449377 /nfs/dbraw/zinc/44/93/77/414449377.db2.gz LZDKFATXOMKXQF-KBXIAJHMSA-N 2 0 256.409 2.835 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000655803909 414449725 /nfs/dbraw/zinc/44/97/25/414449725.db2.gz HSWLOVDGHAATAP-UHDSXZAQSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000655804337 414449885 /nfs/dbraw/zinc/44/98/85/414449885.db2.gz VDBRGCDDWLEMFK-UJKQEGAGSA-N 2 0 272.436 2.864 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)n1 ZINC000655805217 414451087 /nfs/dbraw/zinc/45/10/87/414451087.db2.gz LBHSNBAEHRYQNH-AEGPPILISA-N 2 0 261.413 2.689 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(CC)CC ZINC000655805421 414451169 /nfs/dbraw/zinc/45/11/69/414451169.db2.gz NLZYHWSBXKJWTB-QXSJWSMHSA-N 2 0 282.472 2.900 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806263 414451633 /nfs/dbraw/zinc/45/16/33/414451633.db2.gz TUEKSJZYVGAFTF-KFWWJZLASA-N 2 0 276.424 2.994 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655807942 414453491 /nfs/dbraw/zinc/45/34/91/414453491.db2.gz XIYFIHYERXTFQI-KCQAQPDRSA-N 2 0 262.397 2.686 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000655807968 414453802 /nfs/dbraw/zinc/45/38/02/414453802.db2.gz YGLIUYSWKHHFFT-UPJWGTAASA-N 2 0 280.387 2.825 20 0 CFADRP COc1cccc(SCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000662243958 414473724 /nfs/dbraw/zinc/47/37/24/414473724.db2.gz DVCRZIFBVGGTIF-UONOGXRCSA-N 2 0 294.464 2.847 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655827036 414464135 /nfs/dbraw/zinc/46/41/35/414464135.db2.gz OCITZJXMCBROFI-IYBDPMFKSA-N 2 0 276.424 2.904 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000655832816 414466156 /nfs/dbraw/zinc/46/61/56/414466156.db2.gz AGGURZTVXSJKJS-JJXSEGSLSA-N 2 0 282.472 2.900 20 0 CFADRP CO[C@@H](C[N@H+](C)CC[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662246660 414473989 /nfs/dbraw/zinc/47/39/89/414473989.db2.gz AKRLIDKAVHJYPD-CVEARBPZSA-N 2 0 270.461 2.887 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2nccn21 ZINC000658353104 414397922 /nfs/dbraw/zinc/39/79/22/414397922.db2.gz JYHSGISLNIUKJC-CJNGLKHVSA-N 2 0 288.439 2.601 20 0 CFADRP CC1(C)CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658353518 414398752 /nfs/dbraw/zinc/39/87/52/414398752.db2.gz NTRZBMCTDSTOEB-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352038 414398771 /nfs/dbraw/zinc/39/87/71/414398771.db2.gz BZRBZEJIXZHUEN-HNNXBMFYSA-N 2 0 250.430 2.887 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357087 414401198 /nfs/dbraw/zinc/40/11/98/414401198.db2.gz QSGRMZVPHCNGOJ-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658356703 414401368 /nfs/dbraw/zinc/40/13/68/414401368.db2.gz OUUDGRVNZPSYGZ-HNNXBMFYSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000658355777 414401582 /nfs/dbraw/zinc/40/15/82/414401582.db2.gz KOUFUNFKRFIHEC-INIZCTEOSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246786 414474134 /nfs/dbraw/zinc/47/41/34/414474134.db2.gz RNRHSVBXFOBPLC-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP CC[C@H]1c2ccsc2CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251621 414475980 /nfs/dbraw/zinc/47/59/80/414475980.db2.gz GTUMTQLYXUBWCQ-OCCSQVGLSA-N 2 0 292.448 2.578 20 0 CFADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c(C)c1 ZINC000662250611 414476712 /nfs/dbraw/zinc/47/67/12/414476712.db2.gz JIRJQVXORQSBKG-CVEARBPZSA-N 2 0 288.435 2.817 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)ccn1 ZINC000655848526 414476868 /nfs/dbraw/zinc/47/68/68/414476868.db2.gz HGZAXPTUWLBVPR-NUEKZKHPSA-N 2 0 289.423 2.758 20 0 CFADRP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249539 414477524 /nfs/dbraw/zinc/47/75/24/414477524.db2.gz WOYYBLQDEOJGKI-DLBZAZTESA-N 2 0 286.419 2.653 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249363 414477559 /nfs/dbraw/zinc/47/75/59/414477559.db2.gz UHNNTRFXCLTDDN-RDJZCZTQSA-N 2 0 288.435 2.808 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000655850011 414478548 /nfs/dbraw/zinc/47/85/48/414478548.db2.gz BEEAQNZNXQLHBS-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+](CC1CCCCC1)C1CC1 ZINC000662253242 414478543 /nfs/dbraw/zinc/47/85/43/414478543.db2.gz UWDHWNPPVSGVPQ-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP CC1(C)CCCC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264461 414481937 /nfs/dbraw/zinc/48/19/37/414481937.db2.gz DHGPWTOTXRAIBI-GOEBONIOSA-N 2 0 250.430 2.888 20 0 CFADRP c1ccc([C@@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662257993 414482569 /nfs/dbraw/zinc/48/25/69/414482569.db2.gz HIICQXCUTBFZDJ-IAGOWNOFSA-N 2 0 286.419 2.638 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662264217 414482583 /nfs/dbraw/zinc/48/25/83/414482583.db2.gz CIIOBIFVIXZIOK-RYUDHWBXSA-N 2 0 275.421 2.508 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3nsc4ccccc43)C[C@H]12 ZINC000662266746 414483254 /nfs/dbraw/zinc/48/32/54/414483254.db2.gz OSMDQCJKSAKAMU-FPMFFAJLSA-N 2 0 287.432 2.508 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266047 414484182 /nfs/dbraw/zinc/48/41/82/414484182.db2.gz WBPPMVPOUNTLBI-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000662265634 414484590 /nfs/dbraw/zinc/48/45/90/414484590.db2.gz HQBWUWGTLSGAEO-FPMFFAJLSA-N 2 0 294.826 2.908 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H](OC)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000662271853 414488122 /nfs/dbraw/zinc/48/81/22/414488122.db2.gz JNDMIJRIWUOROT-VNQPRFMTSA-N 2 0 268.445 2.641 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000662272773 414488928 /nfs/dbraw/zinc/48/89/28/414488928.db2.gz PLVHDVZLQFNLIM-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H](OC)C2CCCCC2)CC[C@H]1[NH3+] ZINC000662271846 414489377 /nfs/dbraw/zinc/48/93/77/414489377.db2.gz JNDMIJRIWUOROT-BMFZPTHFSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659293437 414490323 /nfs/dbraw/zinc/49/03/23/414490323.db2.gz HSIWHLWFKVKFGL-YVEFUNNKSA-N 2 0 295.386 2.879 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000662274064 414491270 /nfs/dbraw/zinc/49/12/70/414491270.db2.gz SZDKQFBURQITAO-ROUUACIJSA-N 2 0 288.435 2.696 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662281084 414492073 /nfs/dbraw/zinc/49/20/73/414492073.db2.gz IECRSAVDHJDFJI-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1c(F)cccc1Cl ZINC000662280094 414493485 /nfs/dbraw/zinc/49/34/85/414493485.db2.gz CIOQSZBFXMCZIN-QWRGUYRKSA-N 2 0 298.789 2.651 20 0 CFADRP CO[C@H](C[N@@H+]1CC2CCC1(C[NH3+])CC2)C1CCCCC1 ZINC000662282581 414494252 /nfs/dbraw/zinc/49/42/52/414494252.db2.gz CUIJRJVRWGDARX-ARWYELJZSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000655939441 414495469 /nfs/dbraw/zinc/49/54/69/414495469.db2.gz GYZRDJKXSULYPV-QWHCGFSZSA-N 2 0 282.378 2.814 20 0 CFADRP c1ccc2c(CC[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)noc2c1 ZINC000655941068 414495773 /nfs/dbraw/zinc/49/57/73/414495773.db2.gz LRBRZXYEUZNJPC-MRXNPFEDSA-N 2 0 299.418 2.834 20 0 CFADRP c1c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)onc1C1CC1 ZINC000662292497 414496308 /nfs/dbraw/zinc/49/63/08/414496308.db2.gz FQNBVWOPONBZHO-HNNXBMFYSA-N 2 0 289.423 2.764 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294259 414496530 /nfs/dbraw/zinc/49/65/30/414496530.db2.gz QNZDEUAJTGKFLP-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292413 414496694 /nfs/dbraw/zinc/49/66/94/414496694.db2.gz FHVKJABMKWTEFE-OAHLLOKOSA-N 2 0 293.480 2.706 20 0 CFADRP C[C@H]1CCC[N@H+](CCc2noc3ccccc32)[C@@H]1CC[NH3+] ZINC000655942240 414496916 /nfs/dbraw/zinc/49/69/16/414496916.db2.gz NTHHXACWCAXKNN-XJKSGUPXSA-N 2 0 287.407 2.820 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CCC1 ZINC000662295220 414498616 /nfs/dbraw/zinc/49/86/16/414498616.db2.gz UIJIPXUSNHMHHY-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)OCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295367 414499041 /nfs/dbraw/zinc/49/90/41/414499041.db2.gz ZJTBLWIILYSMHZ-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296500 414499831 /nfs/dbraw/zinc/49/98/31/414499831.db2.gz LDICTSIIRXRQJI-QGZVFWFLSA-N 2 0 282.472 2.761 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC3(CCCC3)CC2)n1 ZINC000662299690 414499975 /nfs/dbraw/zinc/49/99/75/414499975.db2.gz VNNUVICCQZPBQS-UHFFFAOYSA-N 2 0 292.427 2.810 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cn1 ZINC000662313496 414503604 /nfs/dbraw/zinc/50/36/04/414503604.db2.gz LNUCBHWVVJNGJK-CZUORRHYSA-N 2 0 261.413 2.729 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000662311359 414503914 /nfs/dbraw/zinc/50/39/14/414503914.db2.gz RXWOFJQZWXJBJS-YJBOKZPZSA-N 2 0 288.435 2.658 20 0 CFADRP FCC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662310219 414504272 /nfs/dbraw/zinc/50/42/72/414504272.db2.gz ICQNFGLIQZHDEP-AWEZNQCLSA-N 2 0 276.399 2.904 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662317981 414505026 /nfs/dbraw/zinc/50/50/26/414505026.db2.gz VHXACQXMALWDII-NVXWUHKLSA-N 2 0 274.408 2.529 20 0 CFADRP CCCCC[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662319254 414505792 /nfs/dbraw/zinc/50/57/92/414505792.db2.gz LKVCXYIWZQHXEA-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCc2ccsc2)CCO1 ZINC000662325994 414506881 /nfs/dbraw/zinc/50/68/81/414506881.db2.gz SIBMBEXLHJUFHW-INIZCTEOSA-N 2 0 296.480 2.723 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662322879 414506901 /nfs/dbraw/zinc/50/69/01/414506901.db2.gz NLEYXOHPTSPEJN-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000662328960 414509430 /nfs/dbraw/zinc/50/94/30/414509430.db2.gz XNIZCKMEDAHXKQ-HJOIGYKYSA-N 2 0 270.420 2.997 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)cn(C)c2c1 ZINC000656197934 414532113 /nfs/dbraw/zinc/53/21/13/414532113.db2.gz DYQCHKJEMWFVRR-HOTGVXAUSA-N 2 0 285.435 2.889 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000656201212 414534458 /nfs/dbraw/zinc/53/44/58/414534458.db2.gz KQZGTGSGHGWXTH-QWHCGFSZSA-N 2 0 284.407 2.526 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(CC[NH+](C)C)CC2)C1 ZINC000659852985 414587706 /nfs/dbraw/zinc/58/77/06/414587706.db2.gz RGSAZWYYUONLPK-IRXDYDNUSA-N 2 0 295.515 2.628 20 0 CFADRP CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000659852207 414588837 /nfs/dbraw/zinc/58/88/37/414588837.db2.gz KQBDGFMLZFWPGK-YOEHRIQHSA-N 2 0 296.430 2.910 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000659931633 414618731 /nfs/dbraw/zinc/61/87/31/414618731.db2.gz RSVNOYIBKUOGNQ-INIZCTEOSA-N 2 0 296.499 2.981 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000656268771 414554378 /nfs/dbraw/zinc/55/43/78/414554378.db2.gz GYMMQJLCTZEFKE-FQUUOJAGSA-N 2 0 270.486 2.836 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659836788 414577878 /nfs/dbraw/zinc/57/78/78/414577878.db2.gz ANKANUJLKKHGLD-QZTJIDSGSA-N 2 0 294.483 2.878 20 0 CFADRP CC[C@H]([NH2+]CCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000656682711 414636030 /nfs/dbraw/zinc/63/60/30/414636030.db2.gz VOPRLKHDZRJPJR-KRWDZBQOSA-N 2 0 277.456 2.611 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC[C@H]21 ZINC000660010282 414648862 /nfs/dbraw/zinc/64/88/62/414648862.db2.gz HMBLOCNOIQWDMN-OVYGPGRDSA-N 2 0 262.441 2.839 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC000660010909 414649958 /nfs/dbraw/zinc/64/99/58/414649958.db2.gz MORCLZVVPHVIMH-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414825818 287288689 /nfs/dbraw/zinc/28/86/89/287288689.db2.gz HUARFBPOECUSRI-NUJGCVRESA-N 2 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCC2)C[C@H]1C ZINC000659983811 414642232 /nfs/dbraw/zinc/64/22/32/414642232.db2.gz WEKNNXLJGKRPAQ-VNQPRFMTSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000660065345 414656981 /nfs/dbraw/zinc/65/69/81/414656981.db2.gz VFSBJQWQCOPJQW-BZUAXINKSA-N 2 0 284.488 2.882 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C)C1 ZINC000660082385 414660025 /nfs/dbraw/zinc/66/00/25/414660025.db2.gz LSZJRYBLFWGRBF-QMHWVQJVSA-N 2 0 250.430 2.695 20 0 CFADRP CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660011386 414651335 /nfs/dbraw/zinc/65/13/35/414651335.db2.gz HKKMMPKRWNOBEE-HZPDHXFCSA-N 2 0 270.461 2.588 20 0 CFADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152672 414671440 /nfs/dbraw/zinc/67/14/40/414671440.db2.gz BQOXSTFAYIFTKK-SJLPKXTDSA-N 2 0 293.499 2.525 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000660155932 414672748 /nfs/dbraw/zinc/67/27/48/414672748.db2.gz FBYJFACGUMKGAW-UHFFFAOYSA-N 2 0 275.440 2.823 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115454 414664736 /nfs/dbraw/zinc/66/47/36/414664736.db2.gz OLRWFXAIKVHQDW-KBAYOESNSA-N 2 0 292.467 2.750 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040620727 174355055 /nfs/dbraw/zinc/35/50/55/174355055.db2.gz RRTLPURCWXPQJA-HNNXBMFYSA-N 2 0 262.397 2.515 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccco2)C1 ZINC000040622618 174356089 /nfs/dbraw/zinc/35/60/89/174356089.db2.gz ASWCSHIWRRVPSQ-GJZGRUSLSA-N 2 0 264.413 2.921 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668097 174367134 /nfs/dbraw/zinc/36/71/34/174367134.db2.gz QLPGSECFOOCNDZ-SJLPKXTDSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000660167064 414673777 /nfs/dbraw/zinc/67/37/77/414673777.db2.gz LNUWEWOJYKWKHH-IAGOWNOFSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344040 414676456 /nfs/dbraw/zinc/67/64/56/414676456.db2.gz MQNYYNYNXQJFJD-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000044513845 175189349 /nfs/dbraw/zinc/18/93/49/175189349.db2.gz CYXOOTLRWNVDNS-UHFFFAOYSA-N 2 0 289.354 2.651 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000044517304 175190440 /nfs/dbraw/zinc/19/04/40/175190440.db2.gz FYWNPQCXEFJPAP-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000044529845 175193901 /nfs/dbraw/zinc/19/39/01/175193901.db2.gz BQQBYACFAUXAJA-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534448 175196995 /nfs/dbraw/zinc/19/69/95/175196995.db2.gz YFNHOXNJLBMIPK-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044534487 175197027 /nfs/dbraw/zinc/19/70/27/175197027.db2.gz RTEMWCLPBNLMSL-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422720628 287302112 /nfs/dbraw/zinc/30/21/12/287302112.db2.gz ZVGJOMNKVSDGMM-QXSJWSMHSA-N 2 0 268.445 2.831 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000050577659 175517684 /nfs/dbraw/zinc/51/76/84/175517684.db2.gz PCRSDUOWXYJSMP-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000054337881 175557902 /nfs/dbraw/zinc/55/79/02/175557902.db2.gz SZIUMZBIVLACQV-UHFFFAOYSA-N 2 0 296.377 2.619 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366486755 287307848 /nfs/dbraw/zinc/30/78/48/287307848.db2.gz FIZMCJIJNHBEID-OWCLPIDISA-N 2 0 250.430 2.840 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000423041982 298963571 /nfs/dbraw/zinc/96/35/71/298963571.db2.gz KAXHVVDAYUYRHT-COPLHBTASA-N 2 0 266.360 2.755 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422882930 287347883 /nfs/dbraw/zinc/34/78/83/287347883.db2.gz PPRRJZQDXABITK-BRWVUGGUSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCCCO)CC2)C1 ZINC000192930404 227390043 /nfs/dbraw/zinc/39/00/43/227390043.db2.gz ZZISSCSJGJUEAV-RDJZCZTQSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261549124 287422429 /nfs/dbraw/zinc/42/24/29/287422429.db2.gz HDGZGEORQZFLOY-RBGFHDKUSA-N 2 0 250.430 2.933 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400977357 420502989 /nfs/dbraw/zinc/50/29/89/420502989.db2.gz SFSZNAYWMZBVTB-IJLUTSLNSA-N 2 0 284.856 2.922 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401023205 420504180 /nfs/dbraw/zinc/50/41/80/420504180.db2.gz LZCOSBSWJBLKFR-KDQUWOQTSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916268 420501056 /nfs/dbraw/zinc/50/10/56/420501056.db2.gz XDRWXWLMURZBQN-SJORKVTESA-N 2 0 258.409 2.959 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000221674581 270255010 /nfs/dbraw/zinc/25/50/10/270255010.db2.gz XBUVIAMFIQLLIT-HRCADAONSA-N 2 0 269.477 2.569 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517246967 260131545 /nfs/dbraw/zinc/13/15/45/260131545.db2.gz FQRDMYUPHLJBOK-ZIAGYGMSSA-N 2 0 261.413 2.527 20 0 CFADRP CCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312852624 260212306 /nfs/dbraw/zinc/21/23/06/260212306.db2.gz QOALGSUIGCLUJP-IYBDPMFKSA-N 2 0 274.408 2.517 20 0 CFADRP Clc1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312890731 260218575 /nfs/dbraw/zinc/21/85/75/260218575.db2.gz WQJAZQVPQXYTGL-OKILXGFUSA-N 2 0 294.826 2.650 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1F ZINC000152660375 261067412 /nfs/dbraw/zinc/06/74/12/261067412.db2.gz HPSDSZSCNVKEOE-CYBMUJFWSA-N 2 0 280.387 2.971 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000422940013 533685200 /nfs/dbraw/zinc/68/52/00/533685200.db2.gz MWMXXPNCEFAMPY-UWVGGRQHSA-N 2 0 256.777 2.564 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000390311407 262177618 /nfs/dbraw/zinc/17/76/18/262177618.db2.gz FXCYFDXQZDLMIK-SJLPKXTDSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000390563308 262218565 /nfs/dbraw/zinc/21/85/65/262218565.db2.gz KZJMWDNOHGZJOC-NXHRZFHOSA-N 2 0 289.467 2.614 20 0 CFADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393432210 262356926 /nfs/dbraw/zinc/35/69/26/262356926.db2.gz JDMVFOBGQRNUNZ-BYCMXARLSA-N 2 0 262.397 2.518 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000391208893 262389761 /nfs/dbraw/zinc/38/97/61/262389761.db2.gz OMFSEVODDSDNOP-MCIONIFRSA-N 2 0 279.453 2.586 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000234696046 522668589 /nfs/dbraw/zinc/66/85/89/522668589.db2.gz XSWJPHBFWQUQKP-OCCSQVGLSA-N 2 0 268.376 2.539 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000129101016 264315932 /nfs/dbraw/zinc/31/59/32/264315932.db2.gz RATRYSDIKUNLCI-IJLUTSLNSA-N 2 0 264.335 2.839 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC1(C)COC1 ZINC000348326343 265150026 /nfs/dbraw/zinc/15/00/26/265150026.db2.gz XWSKBUQSFYRYAU-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000093451466 265180339 /nfs/dbraw/zinc/18/03/39/265180339.db2.gz SEHZHMAWGDOFQW-XDNAFOTISA-N 2 0 295.515 2.863 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491310 265182490 /nfs/dbraw/zinc/18/24/90/265182490.db2.gz UGODYUURMNRUON-IXDOHACOSA-N 2 0 282.472 2.950 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000011888537 265309752 /nfs/dbraw/zinc/30/97/52/265309752.db2.gz ZKJBDJHHFAQQSU-CQSZACIVSA-N 2 0 266.816 2.943 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194293319 270244043 /nfs/dbraw/zinc/24/40/43/270244043.db2.gz GTJBOTDTFXBJMO-UHFFFAOYSA-N 2 0 284.407 2.508 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2ncc(Cl)s2)C1 ZINC000225332826 270256391 /nfs/dbraw/zinc/25/63/91/270256391.db2.gz FMRAKZWDGVUDTN-JTQLQIEISA-N 2 0 273.833 2.616 20 0 CFADRP C[N@@H+](CCc1ccc(F)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000258934542 270274684 /nfs/dbraw/zinc/27/46/84/270274684.db2.gz HGGBKODRZYMOQJ-OAHLLOKOSA-N 2 0 264.388 2.690 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000258874157 270274766 /nfs/dbraw/zinc/27/47/66/270274766.db2.gz GEEVJRVLVIFENY-SJORKVTESA-N 2 0 254.377 2.852 20 0 CFADRP CCOC(=O)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000260232759 270275137 /nfs/dbraw/zinc/27/51/37/270275137.db2.gz WNCZLKXHFYWQPC-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393420806 270307792 /nfs/dbraw/zinc/30/77/92/270307792.db2.gz ILFHPWWFEQFLNB-CABCVRRESA-N 2 0 262.397 2.520 20 0 CFADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397131427 270316295 /nfs/dbraw/zinc/31/62/95/270316295.db2.gz ZBEPHIPADYSGCT-AWEZNQCLSA-N 2 0 290.451 2.831 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(OC)c1 ZINC000397234239 270316809 /nfs/dbraw/zinc/31/68/09/270316809.db2.gz AMCBOZMRDMGMLY-YDHLFZDLSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000397318032 270317230 /nfs/dbraw/zinc/31/72/30/270317230.db2.gz RVAFDDATIOEAOA-DYEKYZERSA-N 2 0 250.361 2.631 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1C ZINC000397332936 270317303 /nfs/dbraw/zinc/31/73/03/270317303.db2.gz XJMQCKZMHDGIQR-LNSITVRQSA-N 2 0 291.439 2.512 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397404358 270317687 /nfs/dbraw/zinc/31/76/87/270317687.db2.gz LDTDHBQBMVNIQJ-LZWOXQAQSA-N 2 0 276.424 2.891 20 0 CFADRP CC[C@@H](C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397492569 270318898 /nfs/dbraw/zinc/31/88/98/270318898.db2.gz LUJBAUJYXDRTFJ-MRXNPFEDSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000397901362 270320699 /nfs/dbraw/zinc/32/06/99/270320699.db2.gz WRNVVIRQZRFDAE-AEFFLSMTSA-N 2 0 289.467 2.758 20 0 CFADRP c1cc(C[NH2+]CC[C@@H]2CCOC2)cc(C[NH+]2CCCC2)c1 ZINC000437756652 270333940 /nfs/dbraw/zinc/33/39/40/270333940.db2.gz VLDSVYINDGUBLH-MRXNPFEDSA-N 2 0 288.435 2.799 20 0 CFADRP COCc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)no1 ZINC000459396803 270337607 /nfs/dbraw/zinc/33/76/07/270337607.db2.gz FZVHPAWEZZRZJI-UHFFFAOYSA-N 2 0 295.427 2.567 20 0 CFADRP C[C@H]([NH2+]CCOc1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000514930586 270358460 /nfs/dbraw/zinc/35/84/60/270358460.db2.gz IUUXSNDGSFWARR-VIFPVBQESA-N 2 0 289.206 2.570 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000515190582 270364890 /nfs/dbraw/zinc/36/48/90/270364890.db2.gz IXLSSVVVCIZLSW-QBPKDAKJSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)C[C@H](C)O1 ZINC000515290287 270366703 /nfs/dbraw/zinc/36/67/03/270366703.db2.gz XFWVIRFTHKQZCU-VIKVFOODSA-N 2 0 294.414 2.933 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)C[C@H](C)O1 ZINC000515290288 270367043 /nfs/dbraw/zinc/36/70/43/270367043.db2.gz XFWVIRFTHKQZCU-YWVIFJGQSA-N 2 0 294.414 2.933 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000515335770 270368544 /nfs/dbraw/zinc/36/85/44/270368544.db2.gz LXDPGFLLFZFSSQ-KRWDZBQOSA-N 2 0 291.414 2.993 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000515674397 270374277 /nfs/dbraw/zinc/37/42/77/270374277.db2.gz MYLNQJCEGIEFQF-IMJJTQAJSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCOC1 ZINC000530212395 270771160 /nfs/dbraw/zinc/77/11/60/270771160.db2.gz QMBYSIUGFGNDLK-OWCLPIDISA-N 2 0 268.445 2.704 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530231692 270777183 /nfs/dbraw/zinc/77/71/83/270777183.db2.gz SRKDVHVVAPUQJN-MRXNPFEDSA-N 2 0 276.424 2.730 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238548 270778405 /nfs/dbraw/zinc/77/84/05/270778405.db2.gz AODLDENFUWWKDA-MAUKXSAKSA-N 2 0 288.435 2.838 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339437213 274060843 /nfs/dbraw/zinc/06/08/43/274060843.db2.gz FWNLMOBGXVCKBV-ROUUACIJSA-N 2 0 288.435 2.792 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423483993 274135799 /nfs/dbraw/zinc/13/57/99/274135799.db2.gz QOZFZVISBKYNSL-WMLDXEAASA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000250452681 274137721 /nfs/dbraw/zinc/13/77/21/274137721.db2.gz XJGCJJZEIBSJBJ-RVKKMQEKSA-N 2 0 286.419 2.899 20 0 CFADRP CSC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000423090362 274174798 /nfs/dbraw/zinc/17/47/98/274174798.db2.gz VGYJOEAKHOCOQT-UKRRQHHQSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000415018977 274208260 /nfs/dbraw/zinc/20/82/60/274208260.db2.gz VAQNIZCIXQJYJN-NHYWBVRUSA-N 2 0 266.816 2.914 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000423165512 274247333 /nfs/dbraw/zinc/24/73/33/274247333.db2.gz YGBKTTBQAITRHL-SECBINFHSA-N 2 0 289.206 2.570 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247355664 274339852 /nfs/dbraw/zinc/33/98/52/274339852.db2.gz YKKJEUKSPBMGRG-LTZMRLDUSA-N 2 0 284.447 2.891 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000261539058 274392083 /nfs/dbraw/zinc/39/20/83/274392083.db2.gz BLGGINALYNWQHW-AGERRDQYSA-N 2 0 287.451 2.509 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH2+]1 ZINC000423379221 274393993 /nfs/dbraw/zinc/39/39/93/274393993.db2.gz MQOVUEYZDIYLOY-WPGHFRTFSA-N 2 0 262.372 2.933 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335502747 274412478 /nfs/dbraw/zinc/41/24/78/274412478.db2.gz YIUMGAIILXYKPA-KPTULCNPSA-N 2 0 262.372 2.919 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CSCCc3ccccc32)CCC[NH2+]C1 ZINC000423343715 274451073 /nfs/dbraw/zinc/45/10/73/274451073.db2.gz NRDCAUWYHMHBSL-DLBZAZTESA-N 2 0 290.476 2.996 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)C1C[NH2+]C1 ZINC000335045042 274529261 /nfs/dbraw/zinc/52/92/61/274529261.db2.gz XXSKAIHCVAPDAN-XPTSAGLGSA-N 2 0 295.224 2.634 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422698438 274742755 /nfs/dbraw/zinc/74/27/55/274742755.db2.gz ZHFJUFJMVYYFSD-RCCFBDPRSA-N 2 0 288.435 2.550 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000335502709 274777169 /nfs/dbraw/zinc/77/71/69/274777169.db2.gz WQZKVETYSXRZOY-QGZVFWFLSA-N 2 0 256.393 2.882 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000422986039 274814409 /nfs/dbraw/zinc/81/44/09/274814409.db2.gz BCZINGYOXOEFHW-UHFFFAOYSA-N 2 0 298.434 2.788 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C2 ZINC000423538020 274882098 /nfs/dbraw/zinc/88/20/98/274882098.db2.gz LVILPSXTEFAJAU-INIZCTEOSA-N 2 0 276.811 2.707 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000415033103 274949991 /nfs/dbraw/zinc/94/99/91/274949991.db2.gz IKVPVWBVTMAJEF-WKPIXPDZSA-N 2 0 264.800 2.524 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423240257 275069643 /nfs/dbraw/zinc/06/96/43/275069643.db2.gz BYRSROXYSRBLFG-XJKSGUPXSA-N 2 0 276.449 2.606 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000367037919 275071217 /nfs/dbraw/zinc/07/12/17/275071217.db2.gz WBRJGQUPXMNTLB-KFWWJZLASA-N 2 0 295.430 2.852 20 0 CFADRP C(C1CCCCC1)[N@H+]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346858570 275389895 /nfs/dbraw/zinc/38/98/95/275389895.db2.gz RGTMTUOEILXWGX-GOSISDBHSA-N 2 0 293.499 2.574 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000367050072 275390366 /nfs/dbraw/zinc/39/03/66/275390366.db2.gz LUJNFWDJJUUHPT-INIZCTEOSA-N 2 0 280.456 2.801 20 0 CFADRP C(C[NH+]1CCCCC1)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000372559219 275391215 /nfs/dbraw/zinc/39/12/15/275391215.db2.gz YVUZAEYJEQWSCV-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1CCCCO1 ZINC000347475291 275393152 /nfs/dbraw/zinc/39/31/52/275393152.db2.gz VWFKGKVISBAGBO-CGTJXYLNSA-N 2 0 292.467 2.894 20 0 CFADRP C(C[NH2+][C@H]1CCCC12CCOCC2)C[NH+]1CCCCC1 ZINC000312358163 275394217 /nfs/dbraw/zinc/39/42/17/275394217.db2.gz GNUORBFJIODIGC-INIZCTEOSA-N 2 0 280.456 2.801 20 0 CFADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000369481622 275397273 /nfs/dbraw/zinc/39/72/73/275397273.db2.gz JANZVOHXEZWTRQ-LZWOXQAQSA-N 2 0 280.481 2.688 20 0 CFADRP C1CC1[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001931 275413945 /nfs/dbraw/zinc/41/39/45/275413945.db2.gz CUESOCFALHNIHP-MWDXBVQZSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420403519 275591797 /nfs/dbraw/zinc/59/17/97/275591797.db2.gz LANQVSLMASEYDB-JYJNAYRXSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423250797 275746417 /nfs/dbraw/zinc/74/64/17/275746417.db2.gz VLJLPPHONZFQEB-WBAXXEDZSA-N 2 0 289.467 2.930 20 0 CFADRP CC1(C)CC([NH2+][C@H]2CCCc3n[nH]cc32)CC(C)(C)[NH2+]1 ZINC000335136257 275809127 /nfs/dbraw/zinc/80/91/27/275809127.db2.gz PZIYXSZBNKJHDU-ZDUSSCGKSA-N 2 0 276.428 2.686 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332069651 275868877 /nfs/dbraw/zinc/86/88/77/275868877.db2.gz UWTRUTJUFFUYNT-GLQYFDAESA-N 2 0 289.423 2.588 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298181525 275883867 /nfs/dbraw/zinc/88/38/67/275883867.db2.gz VNSGGZWBEYTVMJ-AWEZNQCLSA-N 2 0 277.437 2.534 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000358561235 275941877 /nfs/dbraw/zinc/94/18/77/275941877.db2.gz GCEUKJYIFGLODM-OAGGEKHMSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CS1 ZINC000488429174 276002558 /nfs/dbraw/zinc/00/25/58/276002558.db2.gz BWKMTVZXIBTQQB-QPSCCSFWSA-N 2 0 270.486 2.979 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(SC)CCC2)C1 ZINC000340561717 276072847 /nfs/dbraw/zinc/07/28/47/276072847.db2.gz SYNCSIYBRGFZDL-ZDUSSCGKSA-N 2 0 256.459 2.546 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422736812 276075739 /nfs/dbraw/zinc/07/57/39/276075739.db2.gz GVKHAIBWXLWYDF-ZWKOTPCHSA-N 2 0 289.467 2.888 20 0 CFADRP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000340276304 276097689 /nfs/dbraw/zinc/09/76/89/276097689.db2.gz GGHBMHKUEIGZNH-ZWKOTPCHSA-N 2 0 289.467 2.753 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367600414 276148694 /nfs/dbraw/zinc/14/86/94/276148694.db2.gz JJNJGCPGFFNWSL-RCCFBDPRSA-N 3 0 293.499 2.571 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422911844 276157750 /nfs/dbraw/zinc/15/77/50/276157750.db2.gz UNNKUWHFIQOQJV-KBRIMQKVSA-N 2 0 273.424 2.595 20 0 CFADRP CCC1(CC)[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@@H]1OC ZINC000090461992 276217434 /nfs/dbraw/zinc/21/74/34/276217434.db2.gz XJHVIVBJWRFKPP-QMHWVQJVSA-N 2 0 282.472 2.898 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000163287114 276221633 /nfs/dbraw/zinc/22/16/33/276221633.db2.gz XAZABFOKGVXVJP-CHWSQXEVSA-N 2 0 279.453 2.760 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000247213121 276221836 /nfs/dbraw/zinc/22/18/36/276221836.db2.gz XAZABFOKGVXVJP-OLZOCXBDSA-N 2 0 279.453 2.760 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(C)C)OC)[C@@H](C)C1 ZINC000419222587 276224575 /nfs/dbraw/zinc/22/45/75/276224575.db2.gz KUILXGRPIYCJAV-XHSDSOJGSA-N 2 0 270.461 2.710 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2(OC)CCC2)[C@H](C)C1 ZINC000339038520 276224605 /nfs/dbraw/zinc/22/46/05/276224605.db2.gz XTILPEQRGQUOGU-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000340472448 276228905 /nfs/dbraw/zinc/22/89/05/276228905.db2.gz BABXVPTZBINXSG-SJORKVTESA-N 3 0 281.488 2.572 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC000414284103 276229210 /nfs/dbraw/zinc/22/92/10/276229210.db2.gz QCGKFRYVUMIXLZ-WOPDTQHZSA-N 2 0 266.351 2.895 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877593 276269732 /nfs/dbraw/zinc/26/97/32/276269732.db2.gz REJKAJSTTVYSOA-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCC1 ZINC000453156554 276286540 /nfs/dbraw/zinc/28/65/40/276286540.db2.gz DTWULDDZEHXPHA-BZSNNMDCSA-N 2 0 294.483 2.923 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000274875978 276307345 /nfs/dbraw/zinc/30/73/45/276307345.db2.gz VAOKCYAMQXVLQQ-USXIJHARSA-N 2 0 258.409 2.816 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000247089318 276308485 /nfs/dbraw/zinc/30/84/85/276308485.db2.gz RNAXLYCTNHGMII-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCCC1 ZINC000122522749 276314209 /nfs/dbraw/zinc/31/42/09/276314209.db2.gz BWZJSFPLKUTFSE-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190608745 276332150 /nfs/dbraw/zinc/33/21/50/276332150.db2.gz WIBZUYSRRAYHRK-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCN(C)CC2)cc1 ZINC000020146467 276334797 /nfs/dbraw/zinc/33/47/97/276334797.db2.gz IWMBKOQAWGOUIR-UHFFFAOYSA-N 2 0 289.467 2.712 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000344028513 276351589 /nfs/dbraw/zinc/35/15/89/276351589.db2.gz WCEZNPHJMZLPFT-JKSUJKDBSA-N 2 0 280.456 2.797 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)C12CCC2 ZINC000423178911 276351866 /nfs/dbraw/zinc/35/18/66/276351866.db2.gz LFXMRFBRAGQYHH-UONOGXRCSA-N 2 0 266.429 2.585 20 0 CFADRP CCSCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246279277 276394609 /nfs/dbraw/zinc/39/46/09/276394609.db2.gz AVAHQOHWYYJSFL-ZFWWWQNUSA-N 2 0 268.470 2.688 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000430709445 276473813 /nfs/dbraw/zinc/47/38/13/276473813.db2.gz NIWAXBXRQKSZJT-WNRNVDISSA-N 2 0 295.515 2.674 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423543741 276691660 /nfs/dbraw/zinc/69/16/60/276691660.db2.gz VTFNMABVRNFQBF-ZDUSSCGKSA-N 2 0 291.464 2.982 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000092380958 276783542 /nfs/dbraw/zinc/78/35/42/276783542.db2.gz CSMDSSYCKYAVMA-IKGGRYGDSA-N 2 0 262.441 2.862 20 0 CFADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC1(C)C ZINC000290142616 276785263 /nfs/dbraw/zinc/78/52/63/276785263.db2.gz CFYPKZMBUIXBGR-INIZCTEOSA-N 2 0 291.439 2.690 20 0 CFADRP C(C[NH+]1CCCCC1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000078833888 276807217 /nfs/dbraw/zinc/80/72/17/276807217.db2.gz ZTAYOHQSGLFEOR-SFHVURJKSA-N 2 0 293.499 2.813 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000271789903 277023305 /nfs/dbraw/zinc/02/33/05/277023305.db2.gz GMBSIGWMQWPMQZ-UHFFFAOYSA-N 2 0 250.773 2.692 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000335035695 277025541 /nfs/dbraw/zinc/02/55/41/277025541.db2.gz YANVRZUGIROKGV-INIZCTEOSA-N 2 0 287.451 2.651 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000334155616 277026602 /nfs/dbraw/zinc/02/66/02/277026602.db2.gz VULSTNMDJZWKMO-MRXNPFEDSA-N 2 0 274.408 2.701 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000126161066 277026861 /nfs/dbraw/zinc/02/68/61/277026861.db2.gz USDLJLDEYAKIHW-INIZCTEOSA-N 2 0 262.372 2.744 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157407423 277152269 /nfs/dbraw/zinc/15/22/69/277152269.db2.gz NXTBORLVUUAYCR-IAGOWNOFSA-N 2 0 287.451 2.984 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC000336124975 277160483 /nfs/dbraw/zinc/16/04/83/277160483.db2.gz WGRRXSOYNPPEQQ-ZIAGYGMSSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@H]2CCC[C@@H]21 ZINC000353694990 277170847 /nfs/dbraw/zinc/17/08/47/277170847.db2.gz ZZYQOQLMYOIERE-YVSFHVDLSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000358364936 277173067 /nfs/dbraw/zinc/17/30/67/277173067.db2.gz HCWNXXOOEDTVHW-YDZRNGNQSA-N 2 0 299.462 2.648 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340476989 277177764 /nfs/dbraw/zinc/17/77/64/277177764.db2.gz VWWFMPSKMNFEQJ-QLFBSQMISA-N 2 0 270.461 2.758 20 0 CFADRP COC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000186504800 277188401 /nfs/dbraw/zinc/18/84/01/277188401.db2.gz KMFAODSPRSOBIF-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP COC1CC([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000347201554 277192363 /nfs/dbraw/zinc/19/23/63/277192363.db2.gz KHOZKNMLMDWJJP-FXQLRMTLSA-N 2 0 268.445 2.512 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000367747554 277203287 /nfs/dbraw/zinc/20/32/87/277203287.db2.gz UJXBGPIKJHKKNJ-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C)OC1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000352558716 277210226 /nfs/dbraw/zinc/21/02/26/277210226.db2.gz YYTQLNCNTFDAGL-FGZQJIAISA-N 2 0 266.429 2.549 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423021465 277244740 /nfs/dbraw/zinc/24/47/40/277244740.db2.gz FEQHQNDAYZGFNK-KBXIAJHMSA-N 2 0 268.445 2.830 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422819416 277260794 /nfs/dbraw/zinc/26/07/94/277260794.db2.gz IAZFCVUJYXLBRR-KFKAGJAMSA-N 2 0 296.414 2.979 20 0 CFADRP CO[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1(C)C ZINC000451553771 277292575 /nfs/dbraw/zinc/29/25/75/277292575.db2.gz OQZBFBGNOVNKRC-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423118037 277336155 /nfs/dbraw/zinc/33/61/55/277336155.db2.gz YOCHIBYTRBSYLW-UGUYLWEFSA-N 2 0 268.445 2.844 20 0 CFADRP CC(C)C1CC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000488416560 277339492 /nfs/dbraw/zinc/33/94/92/277339492.db2.gz KOPGWPYKUWSPEH-NUWOQIAWSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000449180262 277353986 /nfs/dbraw/zinc/35/39/86/277353986.db2.gz ZHFOIKDCAMLTDH-BFYDXBDKSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)C[N@@H+]1CCCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000366181587 277389921 /nfs/dbraw/zinc/38/99/21/277389921.db2.gz HTWDUOWHDOZJLI-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000246339827 277397206 /nfs/dbraw/zinc/39/72/06/277397206.db2.gz GSFHKUPZLYLHKI-WNRNVDISSA-N 2 0 295.515 2.673 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422690890 277417152 /nfs/dbraw/zinc/41/71/52/277417152.db2.gz HGYYVEBCCOPVTN-VWYCJHECSA-N 2 0 254.349 2.611 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H](C)C[NH3+] ZINC000423299919 277433090 /nfs/dbraw/zinc/43/30/90/277433090.db2.gz CRDZBHNXTWGYHO-NHYWBVRUSA-N 2 0 262.397 2.602 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423391718 277461137 /nfs/dbraw/zinc/46/11/37/277461137.db2.gz PPGGCQUXWOLDRM-JMSVASOKSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000340229236 277588926 /nfs/dbraw/zinc/58/89/26/277588926.db2.gz SQGPCMCNRDEHMT-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1(C)C ZINC000423054559 277693907 /nfs/dbraw/zinc/69/39/07/277693907.db2.gz UYRPYGMSEYTSNU-APIJFGDWSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133029385 277702152 /nfs/dbraw/zinc/70/21/52/277702152.db2.gz JXVNBJVEBIUVOM-OAGGEKHMSA-N 2 0 294.483 2.902 20 0 CFADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)C[C@@H]12 ZINC000423550180 277760746 /nfs/dbraw/zinc/76/07/46/277760746.db2.gz SOHQIGJZZYLOSC-HLLBOEOZSA-N 2 0 292.467 2.704 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423490049 277948587 /nfs/dbraw/zinc/94/85/87/277948587.db2.gz HISUKZHCENBUHP-QEORTHHSSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423252788 277988885 /nfs/dbraw/zinc/98/88/85/277988885.db2.gz URSITUMJVXQCSN-SUMWQHHRSA-N 2 0 274.408 2.662 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C2 ZINC000414823696 278035598 /nfs/dbraw/zinc/03/55/98/278035598.db2.gz PESLEJLSPOUVCF-KBMXLJTQSA-N 2 0 288.435 2.530 20 0 CFADRP C[C@@]1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000167087695 278123604 /nfs/dbraw/zinc/12/36/04/278123604.db2.gz VIIHWSOXCDTQMD-INIZCTEOSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423013325 278169891 /nfs/dbraw/zinc/16/98/91/278169891.db2.gz MOYFLAWNVMSPRK-KCXAZCMYSA-N 2 0 295.858 2.802 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414945125 278176695 /nfs/dbraw/zinc/17/66/95/278176695.db2.gz QZDAGPDAMSMVJC-VNHYZAJKSA-N 2 0 278.465 2.927 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000449129361 278210148 /nfs/dbraw/zinc/21/01/48/278210148.db2.gz BUMRDTQLQICPKU-TVFCKZIOSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CCOCC1 ZINC000235467508 278216125 /nfs/dbraw/zinc/21/61/25/278216125.db2.gz CYHQMGWCJTUMST-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423170786 278220018 /nfs/dbraw/zinc/22/00/18/278220018.db2.gz YWHLYJGITJOKAS-IXDOHACOSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415112857 278224705 /nfs/dbraw/zinc/22/47/05/278224705.db2.gz SNGSLQWWQNBODG-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000422951845 278227435 /nfs/dbraw/zinc/22/74/35/278227435.db2.gz AJEMXHHRDADTLD-FZMZJTMJSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000415018979 278227514 /nfs/dbraw/zinc/22/75/14/278227514.db2.gz VAQNIZCIXQJYJN-XHDPSFHLSA-N 2 0 266.816 2.914 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000437103390 278249013 /nfs/dbraw/zinc/24/90/13/278249013.db2.gz JPEPYAFDAXYTDE-BFYDXBDKSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000356860375 278254194 /nfs/dbraw/zinc/25/41/94/278254194.db2.gz YVSBYIZQKMIPAG-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCOC1 ZINC000246868155 278257299 /nfs/dbraw/zinc/25/72/99/278257299.db2.gz DHOZCYALLUDNBM-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422874400 278257412 /nfs/dbraw/zinc/25/74/12/278257412.db2.gz CSUAEKMAQBPHIP-DLBZAZTESA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000423291326 278318906 /nfs/dbraw/zinc/31/89/06/278318906.db2.gz HWGXGILCCWVRQO-WBMJQRKESA-N 2 0 284.407 2.607 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(C)COC2)C1 ZINC000336825460 278333555 /nfs/dbraw/zinc/33/35/55/278333555.db2.gz YRQKVRUUGPZMEY-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CO1 ZINC000417903458 278368914 /nfs/dbraw/zinc/36/89/14/278368914.db2.gz RONGVSXTOGGOGX-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422880737 278489749 /nfs/dbraw/zinc/48/97/49/278489749.db2.gz MOUYZHNWAMKVJW-VYMRPNJYSA-N 3 0 295.515 2.852 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000423025424 278518903 /nfs/dbraw/zinc/51/89/03/278518903.db2.gz ODQVOVBVNZWKOF-XGUBFFRZSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180497531 288077760 /nfs/dbraw/zinc/07/77/60/288077760.db2.gz WCDPUWUTSUXSLE-PBHICJAKSA-N 2 0 293.430 2.502 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C1CCOCC1 ZINC000422815186 288081244 /nfs/dbraw/zinc/08/12/44/288081244.db2.gz XFHQRBLWZWFQAX-DYVFJYSZSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423472131 533691207 /nfs/dbraw/zinc/69/12/07/533691207.db2.gz XMNLFCRSZUFGDN-QLFBSQMISA-N 2 0 289.423 2.511 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000422757430 278929124 /nfs/dbraw/zinc/92/91/24/278929124.db2.gz CYBBCLJCHGNRQM-QLFBSQMISA-N 2 0 270.461 2.933 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])CCO1 ZINC000423042863 279059877 /nfs/dbraw/zinc/05/98/77/279059877.db2.gz MLDXTRDSFFBHMM-RRFJBIMHSA-N 2 0 256.434 2.687 20 0 CFADRP CC[N@H+](CC(C)C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296943 279063447 /nfs/dbraw/zinc/06/34/47/279063447.db2.gz CRDRPVPUPFDECW-OAHLLOKOSA-N 2 0 264.413 2.715 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000250959633 279079613 /nfs/dbraw/zinc/07/96/13/279079613.db2.gz NZLRUOZKSIPDMT-DRZSPHRISA-N 2 0 267.442 2.928 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415115702 279094263 /nfs/dbraw/zinc/09/42/63/279094263.db2.gz XDVULTQFFFQPCI-USXIJHARSA-N 2 0 282.472 2.887 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000366481041 279094940 /nfs/dbraw/zinc/09/49/40/279094940.db2.gz RRMDENFVCWPYSN-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000162396632 279100368 /nfs/dbraw/zinc/10/03/68/279100368.db2.gz OGVMOBNHKFRTSY-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000120925579 279100415 /nfs/dbraw/zinc/10/04/15/279100415.db2.gz RNQICIPZXJLBCF-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000349668996 279109303 /nfs/dbraw/zinc/10/93/03/279109303.db2.gz SHECDWIJFJTYTE-QGZVFWFLSA-N 2 0 294.414 2.761 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261888421 279111449 /nfs/dbraw/zinc/11/14/49/279111449.db2.gz SLTPLKXQAREIRY-NJAFHUGGSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000247027370 288105157 /nfs/dbraw/zinc/10/51/57/288105157.db2.gz QNUCYMDFJKOKHM-WCVJEAGWSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000360244945 279120745 /nfs/dbraw/zinc/12/07/45/279120745.db2.gz ITYFGSNXBOHQKK-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422814145 279121142 /nfs/dbraw/zinc/12/11/42/279121142.db2.gz ZSVIFERMCGMOPW-ULQDDVLXSA-N 2 0 284.488 2.932 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1C ZINC000479078080 279121345 /nfs/dbraw/zinc/12/13/45/279121345.db2.gz IMRGHJXHUWYXPD-QAETUUGQSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000414908212 279125513 /nfs/dbraw/zinc/12/55/13/279125513.db2.gz RKEBUCZCUIZUJC-RKTXRCNFSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000262245552 279130352 /nfs/dbraw/zinc/13/03/52/279130352.db2.gz POIPOUCIOTZFIT-LLVKDONJSA-N 2 0 280.362 2.884 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000368292377 279139071 /nfs/dbraw/zinc/13/90/71/279139071.db2.gz UGMVOSINSKZNIQ-ZOMKSWQUSA-N 2 0 274.408 2.623 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245944192 279257306 /nfs/dbraw/zinc/25/73/06/279257306.db2.gz VLCQUXGIRUCOPY-BRWVUGGUSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1Cl ZINC000177315823 279312968 /nfs/dbraw/zinc/31/29/68/279312968.db2.gz BBVMMJRYUQJILZ-ZIAGYGMSSA-N 2 0 295.858 2.627 20 0 CFADRP Cn1cc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C)cn1 ZINC000342319789 279349085 /nfs/dbraw/zinc/34/90/85/279349085.db2.gz FKYXBEFOBROELP-GJZGRUSLSA-N 2 0 278.444 2.581 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000057994398 279350828 /nfs/dbraw/zinc/35/08/28/279350828.db2.gz JCGJBQPKKXBWJL-CRAIPNDOSA-N 2 0 272.436 2.865 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2cccnc2CC1)C[NH+]1CCCC1 ZINC000421819104 279354571 /nfs/dbraw/zinc/35/45/71/279354571.db2.gz FDOXCKXCKIHWGP-WBVHZDCISA-N 2 0 287.451 2.651 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000353915726 279355378 /nfs/dbraw/zinc/35/53/78/279355378.db2.gz NYYQNPZNZKEBIP-CYBMUJFWSA-N 2 0 258.475 2.838 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000449218415 279357219 /nfs/dbraw/zinc/35/72/19/279357219.db2.gz IAVBZPDVMCSZFF-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449131077 279362595 /nfs/dbraw/zinc/36/25/95/279362595.db2.gz JXHDPRCUIMHCDI-SJORKVTESA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368608997 279371612 /nfs/dbraw/zinc/37/16/12/279371612.db2.gz ULDQHNHGGARGBI-JKJDWNRSSA-N 2 0 292.423 2.554 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2c1cnn2C ZINC000251224870 279372239 /nfs/dbraw/zinc/37/22/39/279372239.db2.gz PCRCQFUHMFTOOU-FMKPAKJESA-N 2 0 290.455 2.698 20 0 CFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423121846 279383734 /nfs/dbraw/zinc/38/37/34/279383734.db2.gz JJGPQAZNEICVQE-JYJNAYRXSA-N 2 0 269.477 2.616 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCOC1 ZINC000356859279 279454787 /nfs/dbraw/zinc/45/47/87/279454787.db2.gz XSRZSNPEKAIDOQ-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423544799 279455139 /nfs/dbraw/zinc/45/51/39/279455139.db2.gz IYBIZANAQGKCMI-NPJQDHAYSA-N 2 0 268.420 2.883 20 0 CFADRP CC(C)[NH2+]CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000191478581 279607496 /nfs/dbraw/zinc/60/74/96/279607496.db2.gz RYPYAVFVGDSOTK-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3(C)CCC3)CC2)C[C@@H](C)O1 ZINC000340277564 288152419 /nfs/dbraw/zinc/15/24/19/288152419.db2.gz JXSNTBWXRVFOCS-HZPDHXFCSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3CO)CC2)C1 ZINC000449712079 279688605 /nfs/dbraw/zinc/68/86/05/279688605.db2.gz PWAOVHUJKOYHBD-CIRFHOKZSA-N 2 0 294.483 2.780 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000354147657 279735626 /nfs/dbraw/zinc/73/56/26/279735626.db2.gz UUIVTIIPAKVQMU-ULQDDVLXSA-N 2 0 282.472 2.903 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C1CCCC1 ZINC000166046889 279761825 /nfs/dbraw/zinc/76/18/25/279761825.db2.gz BUOPWRHWBAJKCY-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C12CCCC2 ZINC000423541656 279877780 /nfs/dbraw/zinc/87/77/80/279877780.db2.gz LHADQTMAZKOVHU-BPKGMFCQSA-N 2 0 292.467 2.702 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348245772 279898531 /nfs/dbraw/zinc/89/85/31/279898531.db2.gz OXVDHWLANGTWSV-RCCFBDPRSA-N 2 0 290.451 2.737 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000094472921 280008199 /nfs/dbraw/zinc/00/81/99/280008199.db2.gz ZWEGNPOPDAELQI-AAEUAGOBSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540421 280025823 /nfs/dbraw/zinc/02/58/23/280025823.db2.gz QGQJIZKCCHCLRA-SJCJKPOMSA-N 2 0 274.383 2.958 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000357872801 280032521 /nfs/dbraw/zinc/03/25/21/280032521.db2.gz QHQCVFIHWAWIPT-GCSSGZNBSA-N 2 0 268.445 2.508 20 0 CFADRP CCS[C@H]1CC[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178976742 280060984 /nfs/dbraw/zinc/06/09/84/280060984.db2.gz IOFFRGNIMCZIFP-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000253352220 280143636 /nfs/dbraw/zinc/14/36/36/280143636.db2.gz NMZFYJXETICOCZ-IKGGRYGDSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO[C@@H]1C1CC1 ZINC000423054567 280159058 /nfs/dbraw/zinc/15/90/58/280159058.db2.gz UZDLUYPAULEZDI-BRSBDYLESA-N 2 0 286.419 2.926 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000415091012 280254713 /nfs/dbraw/zinc/25/47/13/280254713.db2.gz YNTDAZAVPQICQN-CVEARBPZSA-N 2 0 261.413 2.553 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000181750319 280265302 /nfs/dbraw/zinc/26/53/02/280265302.db2.gz MAASJYBNYOSTLG-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423402129 280270395 /nfs/dbraw/zinc/27/03/95/280270395.db2.gz RHGWOIWRDVJRFC-UAGQMJEPSA-N 2 0 260.425 2.841 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422905034 280277971 /nfs/dbraw/zinc/27/79/71/280277971.db2.gz HOBPUVKVTMSVBI-BBWFWOEESA-N 2 0 295.515 2.865 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000430694405 280319206 /nfs/dbraw/zinc/31/92/06/280319206.db2.gz KHPOENRDMCJPOX-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423265176 280325719 /nfs/dbraw/zinc/32/57/19/280325719.db2.gz ZMOCGLFIHJFEKD-ZBFHGGJFSA-N 2 0 261.413 2.758 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cn1 ZINC000423541426 280333455 /nfs/dbraw/zinc/33/34/55/280333455.db2.gz LADAVWDYDCCADE-CXUGXGMPSA-N 2 0 291.414 2.896 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C1CCSCC1 ZINC000423467397 289976143 /nfs/dbraw/zinc/97/61/43/289976143.db2.gz IVACZXMWHQSZOA-SGMGOOAPSA-N 2 0 256.459 2.625 20 0 CFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCF)CC1 ZINC000092412395 280573355 /nfs/dbraw/zinc/57/33/55/280573355.db2.gz DRRHLKCHKHUZFH-UHFFFAOYSA-N 2 0 299.821 2.541 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)C1CCOCC1 ZINC000134483565 280759079 /nfs/dbraw/zinc/75/90/79/280759079.db2.gz WWNYODGIKUVHOR-CQSZACIVSA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccs1 ZINC000186567684 280847658 /nfs/dbraw/zinc/84/76/58/280847658.db2.gz UFCSOLIKVCWBBT-HUUCEWRRSA-N 2 0 295.496 2.815 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@](C)(OC)C2(C)C)[C@@H](C)C1 ZINC000247094205 281005581 /nfs/dbraw/zinc/00/55/81/281005581.db2.gz OHBDMNUHANHHIF-AYDFFVQHSA-N 2 0 268.445 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000247222671 281007209 /nfs/dbraw/zinc/00/72/09/281007209.db2.gz XVMXSGRTOKNYRN-BZSNNMDCSA-N 3 0 295.515 2.961 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247204747 281007744 /nfs/dbraw/zinc/00/77/44/281007744.db2.gz WNCKJUKVZLRPFD-WCXIOVBPSA-N 2 0 295.515 2.815 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247988009 281017605 /nfs/dbraw/zinc/01/76/05/281017605.db2.gz JBKTVSIIMSKZRG-PBHICJAKSA-N 2 0 290.476 2.948 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC)[C@H](C)C1 ZINC000247975940 281017627 /nfs/dbraw/zinc/01/76/27/281017627.db2.gz KWBGRVBBAKEYLK-ILXRZTDVSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000248162487 281018512 /nfs/dbraw/zinc/01/85/12/281018512.db2.gz YHQBTXMHKQBDIM-DYVFJYSZSA-N 2 0 267.376 2.684 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000248582245 281027235 /nfs/dbraw/zinc/02/72/35/281027235.db2.gz FOHQFDDBVHUNAI-NRWUCQMLSA-N 2 0 281.469 2.873 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000250116968 281069477 /nfs/dbraw/zinc/06/94/77/281069477.db2.gz QSJZVIIFLAYNSK-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703044 281077177 /nfs/dbraw/zinc/07/71/77/281077177.db2.gz BQWZHRSMFIGKJQ-MJBXVCDLSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000252863556 281078003 /nfs/dbraw/zinc/07/80/03/281078003.db2.gz OSXPUALOHDUILS-BSWAZPDLSA-N 2 0 258.409 2.849 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252860481 281078079 /nfs/dbraw/zinc/07/80/79/281078079.db2.gz MXVHUXMRKKGCKN-BHYGNILZSA-N 2 0 258.409 2.863 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252859374 281078167 /nfs/dbraw/zinc/07/81/67/281078167.db2.gz MKAPIYSAMRYOOD-UBHSHLNASA-N 2 0 250.411 2.616 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252843901 281078186 /nfs/dbraw/zinc/07/81/86/281078186.db2.gz DISOTCFJPPCERY-TUKIKUTGSA-N 2 0 264.438 2.870 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252860483 281078244 /nfs/dbraw/zinc/07/82/44/281078244.db2.gz MXVHUXMRKKGCKN-XIRDDKMYSA-N 2 0 258.409 2.863 20 0 CFADRP Brc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000259056227 281111686 /nfs/dbraw/zinc/11/16/86/281111686.db2.gz QUKZACGTHIZKBB-CYBMUJFWSA-N 2 0 283.213 2.681 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261565317 281112062 /nfs/dbraw/zinc/11/20/62/281112062.db2.gz FGWMLEKKAAQFBZ-NOLJZWGESA-N 2 0 262.372 2.693 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)N(C)C)cc1 ZINC000268926109 281118040 /nfs/dbraw/zinc/11/80/40/281118040.db2.gz RNLCJLMRBJSXEZ-MCIONIFRSA-N 2 0 264.413 2.727 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423242355 281118247 /nfs/dbraw/zinc/11/82/47/281118247.db2.gz FIKDUZWYEXYCBX-GOEBONIOSA-N 2 0 274.408 2.798 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000422956113 281125263 /nfs/dbraw/zinc/12/52/63/281125263.db2.gz KQVWCTQWUFDPGE-UKPHBRMFSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000302107445 281170358 /nfs/dbraw/zinc/17/03/58/281170358.db2.gz ALTYXUQAGHPHEH-OAHLLOKOSA-N 2 0 279.387 2.994 20 0 CFADRP C[C@H](CCO)CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000397801762 281202580 /nfs/dbraw/zinc/20/25/80/281202580.db2.gz WKKZFUDXQHNSSD-FUHWJXTLSA-N 2 0 290.451 2.649 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1ccsc1 ZINC000420372538 281220219 /nfs/dbraw/zinc/22/02/19/281220219.db2.gz YDWHWJYOLMKDFF-ZDUSSCGKSA-N 2 0 252.427 2.658 20 0 CFADRP CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000422930494 281222549 /nfs/dbraw/zinc/22/25/49/281222549.db2.gz UQZLAIPPOTYXRB-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422929791 281222653 /nfs/dbraw/zinc/22/26/53/281222653.db2.gz RNWDKHPFHOXYPT-CQSZACIVSA-N 2 0 299.418 2.887 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423011665 281223351 /nfs/dbraw/zinc/22/33/51/281223351.db2.gz BKCJXTNKKNFJSK-ULKVUYOBSA-N 2 0 298.789 2.507 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCCC2 ZINC000424373546 281227839 /nfs/dbraw/zinc/22/78/39/281227839.db2.gz JRJOALPNEIWHCB-KLHDSHLOSA-N 2 0 280.456 2.974 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435393426 281234984 /nfs/dbraw/zinc/23/49/84/281234984.db2.gz ZOCJIXSVPYRQAE-AWEZNQCLSA-N 2 0 280.387 2.798 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC2CCCC2)C[C@@H]1C ZINC000459367918 281258763 /nfs/dbraw/zinc/25/87/63/281258763.db2.gz VSTQLNLVHFIDKL-DOTOQJQBSA-N 2 0 282.472 2.998 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@@H]1SC ZINC000459391977 281261979 /nfs/dbraw/zinc/26/19/79/281261979.db2.gz KUXMYRYGKZRQOW-OAGGEKHMSA-N 2 0 298.496 2.502 20 0 CFADRP CC(C)(C)C1CC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000459416944 281262492 /nfs/dbraw/zinc/26/24/92/281262492.db2.gz UDPKTSHRKODCPT-UYSNPLJNSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459579886 281269751 /nfs/dbraw/zinc/26/97/51/281269751.db2.gz ZYGXZTQRXFQNQW-UHFFFAOYSA-N 2 0 276.428 2.564 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000514872166 281288544 /nfs/dbraw/zinc/28/85/44/281288544.db2.gz CEZNEDAGBHADLA-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000290290024 281300231 /nfs/dbraw/zinc/30/02/31/281300231.db2.gz XWWAVFCTODFBTI-GVDBMIGSSA-N 2 0 286.419 2.515 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CCN1CC[C@@H](C)C1 ZINC000525288338 281313705 /nfs/dbraw/zinc/31/37/05/281313705.db2.gz XGUGFZQJWHCDMW-KEDPEKRHSA-N 2 0 274.408 2.640 20 0 CFADRP FC1(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000527528985 281334428 /nfs/dbraw/zinc/33/44/28/281334428.db2.gz QXXIORKBDIRUFB-UHFFFAOYSA-N 2 0 254.393 2.875 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C2CC2)cn1 ZINC000528851815 281353821 /nfs/dbraw/zinc/35/38/21/281353821.db2.gz MDDZKOBLZLMTBM-RDJZCZTQSA-N 2 0 289.423 2.615 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000356867982 281463042 /nfs/dbraw/zinc/46/30/42/281463042.db2.gz NBSXCLCEWBAXGH-CYBMUJFWSA-N 2 0 261.413 2.636 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000538850359 281561755 /nfs/dbraw/zinc/56/17/55/281561755.db2.gz CCKZAUNYHNLFQX-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000539651048 281571835 /nfs/dbraw/zinc/57/18/35/281571835.db2.gz VLUHHXZGRILWPC-ZBFHGGJFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCCC1 ZINC000543404827 281646518 /nfs/dbraw/zinc/64/65/18/281646518.db2.gz OGIGAGWZPASYRC-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccn(C)n1 ZINC000544579933 281669094 /nfs/dbraw/zinc/66/90/94/281669094.db2.gz YHVUXZJXVSCAGU-HUUCEWRRSA-N 2 0 280.460 2.971 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000192477603 281808154 /nfs/dbraw/zinc/80/81/54/281808154.db2.gz UYIDMZNPHIWCEH-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP OC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000550898169 281829557 /nfs/dbraw/zinc/82/95/57/281829557.db2.gz UKBXTRWLXSLJAU-KRWDZBQOSA-N 2 0 294.483 2.639 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]CC(C(C)C)C(C)C)CC1 ZINC000551201823 281832406 /nfs/dbraw/zinc/83/24/06/281832406.db2.gz QEBLABWGUIWSSN-UHFFFAOYSA-N 2 0 283.504 2.532 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000552063724 281852737 /nfs/dbraw/zinc/85/27/37/281852737.db2.gz KMAQNJONALQVRI-WNRNVDISSA-N 2 0 294.483 2.779 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423110377 281893595 /nfs/dbraw/zinc/89/35/95/281893595.db2.gz HSOBXCCMBIUJBS-ZLKJLUDKSA-N 2 0 299.365 2.660 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000423144200 281893971 /nfs/dbraw/zinc/89/39/71/281893971.db2.gz GHQFZNHMVFMSFI-ZDUSSCGKSA-N 2 0 298.434 2.872 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000554735316 281903010 /nfs/dbraw/zinc/90/30/10/281903010.db2.gz VLJAIWUGDQMNIT-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP c1ccc2c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)ccnc2c1 ZINC000556952588 281955024 /nfs/dbraw/zinc/95/50/24/281955024.db2.gz BNRXODXFESXXOX-OAHLLOKOSA-N 2 0 269.392 2.857 20 0 CFADRP CC(C)C(C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000560076906 282014757 /nfs/dbraw/zinc/01/47/57/282014757.db2.gz LSJPDAFSXPVKJA-MSOLQXFVSA-N 2 0 296.499 2.882 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000560583297 282035465 /nfs/dbraw/zinc/03/54/65/282035465.db2.gz XHNADIOIGXJUOQ-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000560908374 282043596 /nfs/dbraw/zinc/04/35/96/282043596.db2.gz GKQHWFOXZVUPCV-LCSXWQTCSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000560896827 282043776 /nfs/dbraw/zinc/04/37/76/282043776.db2.gz BRRJQIDMQAJKGR-NWDGAFQWSA-N 2 0 253.415 2.526 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000560954320 282044459 /nfs/dbraw/zinc/04/44/59/282044459.db2.gz OLRGXTVFRLBMCS-OLZOCXBDSA-N 2 0 268.788 2.708 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000560961393 282044473 /nfs/dbraw/zinc/04/44/73/282044473.db2.gz MNOJWTZCUYQPMT-NWDGAFQWSA-N 2 0 265.426 2.628 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422816160 282066309 /nfs/dbraw/zinc/06/63/09/282066309.db2.gz ZGXBILXPKONNKF-ZDUSSCGKSA-N 2 0 293.455 2.688 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902272 533692521 /nfs/dbraw/zinc/69/25/21/533692521.db2.gz HMRFENFVEVWZIP-UONOGXRCSA-N 2 0 286.423 2.616 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423031873 289094328 /nfs/dbraw/zinc/09/43/28/289094328.db2.gz DVMXPJLSOJRKKI-YESZJQIVSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H]1c2ccsc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251243990 289097894 /nfs/dbraw/zinc/09/78/94/289097894.db2.gz UFPSBXWOLSQHRL-VXGBXAGGSA-N 2 0 250.411 2.667 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000247127609 289304061 /nfs/dbraw/zinc/30/40/61/289304061.db2.gz QCJHHRNFJLNVEX-MCIONIFRSA-N 2 0 268.445 2.795 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1cccs1 ZINC000422753813 289364765 /nfs/dbraw/zinc/36/47/65/289364765.db2.gz GNHJLKHNDMHVMT-BFHYXJOUSA-N 2 0 281.469 2.600 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422706092 289364812 /nfs/dbraw/zinc/36/48/12/289364812.db2.gz DISYGIWRWHNXGO-BRWVUGGUSA-N 2 0 293.430 2.678 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000415027377 289463669 /nfs/dbraw/zinc/46/36/69/289463669.db2.gz WNUGYNCJIJELCX-INMHGKMJSA-N 3 0 281.488 2.747 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000422751096 289629176 /nfs/dbraw/zinc/62/91/76/289629176.db2.gz CEOUWYRATJKULZ-IRXDYDNUSA-N 2 0 275.440 2.763 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000376406990 289876721 /nfs/dbraw/zinc/87/67/21/289876721.db2.gz GRYCMRLZARQCSD-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+]1CCC(N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414933844 289887786 /nfs/dbraw/zinc/88/77/86/289887786.db2.gz DSLZFYPUACPRGQ-SFHVURJKSA-N 2 0 283.419 2.523 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154400131 289893754 /nfs/dbraw/zinc/89/37/54/289893754.db2.gz VVGRBUGFEDQVQO-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155128905 289911895 /nfs/dbraw/zinc/91/18/95/289911895.db2.gz HPXPHWAUJXSKEL-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnccn1 ZINC000158175652 289950263 /nfs/dbraw/zinc/95/02/63/289950263.db2.gz DSRVGFFYNMCMLT-HNNXBMFYSA-N 2 0 276.428 2.639 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158897578 289983689 /nfs/dbraw/zinc/98/36/89/289983689.db2.gz LUXCDFXXMXQZGX-DLBZAZTESA-N 2 0 282.472 2.804 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000177342012 289993754 /nfs/dbraw/zinc/99/37/54/289993754.db2.gz KOICYZBTTMIIGI-NSHDSACASA-N 2 0 250.361 2.775 20 0 CFADRP Brc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000259027551 289996471 /nfs/dbraw/zinc/99/64/71/289996471.db2.gz OIUNTXGISPHJAS-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP Brc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000259027549 289996542 /nfs/dbraw/zinc/99/65/42/289996542.db2.gz OIUNTXGISPHJAS-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275617426 290005480 /nfs/dbraw/zinc/00/54/80/290005480.db2.gz RSAXNLWLVZKQJZ-QZTJIDSGSA-N 2 0 290.451 2.881 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCSCC1 ZINC000249769925 290009030 /nfs/dbraw/zinc/00/90/30/290009030.db2.gz BNHSDXZDLAFJNM-NWANDNLSSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000423023754 290021391 /nfs/dbraw/zinc/02/13/91/290021391.db2.gz KMYPZGUWRPMXMD-GBJTYRQASA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000562469615 290046054 /nfs/dbraw/zinc/04/60/54/290046054.db2.gz HFFMYOVDQUXLQG-QGZVFWFLSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCC[C@H]1C ZINC000562519254 290050428 /nfs/dbraw/zinc/05/04/28/290050428.db2.gz CLZDHWNEMWMTSA-SQNIBIBYSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000562657429 290063725 /nfs/dbraw/zinc/06/37/25/290063725.db2.gz GFNOETRAHZQPRS-XOIINTDNSA-N 2 0 276.424 2.794 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336836236 290069968 /nfs/dbraw/zinc/06/99/68/290069968.db2.gz WLRBIQVVSAMFOM-IXDOHACOSA-N 2 0 282.472 2.734 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000562734911 290072199 /nfs/dbraw/zinc/07/21/99/290072199.db2.gz MJQMJTOXBILRIX-RBSFLKMASA-N 2 0 282.472 2.900 20 0 CFADRP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000562944093 290084071 /nfs/dbraw/zinc/08/40/71/290084071.db2.gz QSBUBMXHEYGBJV-JHJVBQTASA-N 2 0 282.347 2.642 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000562955569 290085182 /nfs/dbraw/zinc/08/51/82/290085182.db2.gz BUJSKAWLVBLLKF-WBVHZDCISA-N 2 0 273.424 2.697 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(C)c1 ZINC000562960137 290086302 /nfs/dbraw/zinc/08/63/02/290086302.db2.gz DNPXCPAABZKPGY-ZDUSSCGKSA-N 2 0 250.386 2.611 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(C)c1 ZINC000562960130 290086472 /nfs/dbraw/zinc/08/64/72/290086472.db2.gz DNPXCPAABZKPGY-CYBMUJFWSA-N 2 0 250.386 2.611 20 0 CFADRP c1cncc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000563070532 290099933 /nfs/dbraw/zinc/09/99/33/290099933.db2.gz BNYDPDRPVZFDNS-KRWDZBQOSA-N 2 0 273.424 2.747 20 0 CFADRP CCc1cccc(F)c1CN1CCC([NH2+]CCOC)CC1 ZINC000563231793 290121875 /nfs/dbraw/zinc/12/18/75/290121875.db2.gz ODFNLUJXECYSPA-UHFFFAOYSA-N 2 0 294.414 2.589 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCC(C)C ZINC000563349869 290135674 /nfs/dbraw/zinc/13/56/74/290135674.db2.gz JBUQKWMDUJJAIQ-HOTGVXAUSA-N 2 0 270.461 2.590 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563804836 290175253 /nfs/dbraw/zinc/17/52/53/290175253.db2.gz LXBWBQWURTXZRN-KKUMJFAQSA-N 2 0 264.413 2.955 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000564203471 290196384 /nfs/dbraw/zinc/19/63/84/290196384.db2.gz GEGKHMJPPIUTGN-QAPCUYQASA-N 2 0 290.451 2.615 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000564326941 290203902 /nfs/dbraw/zinc/20/39/02/290203902.db2.gz WUZOZVYPHUIQFE-ROUUACIJSA-N 2 0 287.451 2.739 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000564469398 290211043 /nfs/dbraw/zinc/21/10/43/290211043.db2.gz DNNYOKPGCQSKSJ-STQMWFEESA-N 2 0 270.779 2.881 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000564529188 290213346 /nfs/dbraw/zinc/21/33/46/290213346.db2.gz MXSNMWGZUWVCTR-OAHLLOKOSA-N 2 0 272.436 2.723 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)C2CCCC2)o1 ZINC000564807606 290234310 /nfs/dbraw/zinc/23/43/10/290234310.db2.gz NXUSAHOICZDXIP-KRWDZBQOSA-N 2 0 294.439 2.987 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000564822392 290236333 /nfs/dbraw/zinc/23/63/33/290236333.db2.gz MUFAUPYNFMYQEL-MRXNPFEDSA-N 2 0 264.413 2.982 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000564823195 290236406 /nfs/dbraw/zinc/23/64/06/290236406.db2.gz UVTPSEKCJVFSDZ-QGZVFWFLSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000564822282 290236758 /nfs/dbraw/zinc/23/67/58/290236758.db2.gz IGESVXZLKIYPHQ-KGLIPLIRSA-N 2 0 256.434 2.556 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)[C@@H]1CCC[NH2+]C1 ZINC000564822769 290236780 /nfs/dbraw/zinc/23/67/80/290236780.db2.gz MGZJHXRTCCQSFG-OUCADQQQSA-N 2 0 272.396 2.602 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000564825960 290237105 /nfs/dbraw/zinc/23/71/05/290237105.db2.gz YLYNZMCUCWMSQA-BQDHKBFISA-N 2 0 291.439 2.905 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000564824515 290237117 /nfs/dbraw/zinc/23/71/17/290237117.db2.gz FSEPAPRGNLVWKX-KBPBESRZSA-N 2 0 264.413 2.732 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccs1 ZINC000564825436 290237528 /nfs/dbraw/zinc/23/75/28/290237528.db2.gz HAWOHHNDGHBXLG-OCCSQVGLSA-N 2 0 252.427 2.658 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000564827931 290237995 /nfs/dbraw/zinc/23/79/95/290237995.db2.gz AGLRWTSRVYMZDR-BPLDGKMQSA-N 2 0 276.428 2.748 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000564916231 290249169 /nfs/dbraw/zinc/24/91/69/290249169.db2.gz VEGDAFWPXWFNSS-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000564973830 290254259 /nfs/dbraw/zinc/25/42/59/290254259.db2.gz VSVFVYFHMKAFPD-QWRGUYRKSA-N 2 0 261.344 2.589 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000564973419 290254371 /nfs/dbraw/zinc/25/43/71/290254371.db2.gz JLVOIBZBYMAMGI-ZOBUZTSGSA-N 2 0 274.408 2.528 20 0 CFADRP CSC1(C[NH2+]C2CC(C(C)C)C2)CC[NH+](C)CC1 ZINC000565134582 290271090 /nfs/dbraw/zinc/27/10/90/290271090.db2.gz OTGIZXQIOSUYAH-UHFFFAOYSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CCN1CCc1c(F)cccc1Cl ZINC000565432202 290301491 /nfs/dbraw/zinc/30/14/91/290301491.db2.gz YWZMDPHKSZOVMD-GHMZBOCLSA-N 2 0 270.779 2.833 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000565434935 290301849 /nfs/dbraw/zinc/30/18/49/290301849.db2.gz XAURXHRQPLGWKL-CABCVRRESA-N 2 0 274.408 2.586 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335036033 290338742 /nfs/dbraw/zinc/33/87/42/290338742.db2.gz IKTBLNKCWKKWMP-OTBWCIGPSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566092461 290347607 /nfs/dbraw/zinc/34/76/07/290347607.db2.gz QFNQMLWAAFTLTQ-UHOFOFEASA-N 2 0 262.397 2.578 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CO1 ZINC000566219791 290359226 /nfs/dbraw/zinc/35/92/26/290359226.db2.gz FJPTVDJBEINVEH-TXCZRRACSA-N 2 0 280.456 2.797 20 0 CFADRP Cn1ccnc1[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000566414564 290380276 /nfs/dbraw/zinc/38/02/76/290380276.db2.gz PQWVTAWGEKNUQJ-CQSZACIVSA-N 2 0 275.421 2.904 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000566414339 290380551 /nfs/dbraw/zinc/38/05/51/290380551.db2.gz NZJGABWBJKXQAN-OAHLLOKOSA-N 2 0 299.418 2.851 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566480930 290392725 /nfs/dbraw/zinc/39/27/25/290392725.db2.gz CLKSTOLTJUGFHM-JKSUJKDBSA-N 2 0 276.424 2.876 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566482848 290393807 /nfs/dbraw/zinc/39/38/07/290393807.db2.gz QWGNHTKBMMXMQI-IAGOWNOFSA-N 2 0 276.424 2.971 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)nc21 ZINC000566484050 290393886 /nfs/dbraw/zinc/39/38/86/290393886.db2.gz ZLKFUSOPAXEOHR-OLZOCXBDSA-N 2 0 273.380 2.538 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CSc3ccccc3O2)CC1 ZINC000566679137 290409337 /nfs/dbraw/zinc/40/93/37/290409337.db2.gz VIZBXYGXHONWAW-RUXDESIVSA-N 2 0 292.448 2.647 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000567646852 290481070 /nfs/dbraw/zinc/48/10/70/290481070.db2.gz FGUJXZFRGHCMTB-INORYPFCSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000422793225 290600919 /nfs/dbraw/zinc/60/09/19/290600919.db2.gz WRTGUKMWQJGBHS-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP COC[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512329813 293033628 /nfs/dbraw/zinc/03/36/28/293033628.db2.gz IGFKLBXCRIFQEY-XYJFISCASA-N 2 0 290.451 2.912 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000234808499 293097508 /nfs/dbraw/zinc/09/75/08/293097508.db2.gz FNLRASGGQSNQBC-CAOSSQGBSA-N 2 0 270.461 2.791 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422878190 295134784 /nfs/dbraw/zinc/13/47/84/295134784.db2.gz JIKURXDWWFCYRY-ZJUUUORDSA-N 2 0 290.329 2.929 20 0 CFADRP COc1ccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422784423 295217017 /nfs/dbraw/zinc/21/70/17/295217017.db2.gz MAZTVOWQBZNESG-WBMJQRKESA-N 2 0 262.397 2.590 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000423363904 295237817 /nfs/dbraw/zinc/23/78/17/295237817.db2.gz CCSLCFRTHPZTBW-DVOMOZLQSA-N 2 0 262.397 2.652 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000159248598 295250788 /nfs/dbraw/zinc/25/07/88/295250788.db2.gz WZDVJIPYPQLGNL-DLBZAZTESA-N 2 0 283.419 2.884 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCC[NH3+])CCCO2 ZINC000423443865 295272484 /nfs/dbraw/zinc/27/24/84/295272484.db2.gz ARFHPMCLDAXDJR-DOMZBBRYSA-N 2 0 278.396 2.626 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000332303019 295297178 /nfs/dbraw/zinc/29/71/78/295297178.db2.gz LNZOYMZSVQXWSB-HUUCEWRRSA-N 2 0 268.445 2.569 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422958403 295300947 /nfs/dbraw/zinc/30/09/47/295300947.db2.gz XPNMMBGTVQRTTB-KBPBESRZSA-N 2 0 264.413 2.733 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)C[C@H]21 ZINC000342087602 295310082 /nfs/dbraw/zinc/31/00/82/295310082.db2.gz PKGURYXCJCQRGE-BASLNEPJSA-N 2 0 274.383 2.872 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000423482482 295335778 /nfs/dbraw/zinc/33/57/78/295335778.db2.gz XWDXJWVSKCUSCK-IGJPJIBNSA-N 2 0 260.372 2.917 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999277 295348290 /nfs/dbraw/zinc/34/82/90/295348290.db2.gz RNIXEWLFUWSOMS-YOPWKTHZSA-N 2 0 274.408 2.816 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CC[NH2+]1 ZINC000414696292 297396330 /nfs/dbraw/zinc/39/63/30/297396330.db2.gz PDWOSVBCTHUTQL-NVXWUHKLSA-N 2 0 298.434 2.800 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000423037234 298440657 /nfs/dbraw/zinc/44/06/57/298440657.db2.gz VXNGZYPTXKCEPK-BRSBDYLESA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH3+])CCCO2 ZINC000423298250 301212213 /nfs/dbraw/zinc/21/22/13/301212213.db2.gz NUGZZTNGYORNPB-SWLSCSKDSA-N 2 0 262.397 2.702 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422815298 301774053 /nfs/dbraw/zinc/77/40/53/301774053.db2.gz XGQUZLUSMJWXNC-KSZLIROESA-N 2 0 288.435 2.947 20 0 CFADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422994097 302007700 /nfs/dbraw/zinc/00/77/00/302007700.db2.gz GUPDAEKWCUKOTH-FHLIZLRMSA-N 2 0 288.435 2.883 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404561 302106782 /nfs/dbraw/zinc/10/67/82/302106782.db2.gz MDQCRJZARMQONO-ZBFHGGJFSA-N 2 0 276.424 2.681 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]CC1CC[NH2+]CC1)C(C)C ZINC000178982934 302246453 /nfs/dbraw/zinc/24/64/53/302246453.db2.gz RSGQNSQKPOXWPT-OAHLLOKOSA-N 2 0 261.413 2.676 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000423050593 302588354 /nfs/dbraw/zinc/58/83/54/302588354.db2.gz MNWYYWRLLZYNIN-DTWKUNHWSA-N 2 0 275.318 2.840 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000333256491 303359619 /nfs/dbraw/zinc/35/96/19/303359619.db2.gz ICMZGXJFGKETSC-OWCLPIDISA-N 2 0 279.472 2.548 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423458834 303365042 /nfs/dbraw/zinc/36/50/42/303365042.db2.gz KKFIEGNHKIOWKH-MCXNERJBSA-N 2 0 292.467 2.687 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H]1CCF ZINC000423458002 303365469 /nfs/dbraw/zinc/36/54/69/303365469.db2.gz JKNUBANWQQXZOY-LRRPLVQKSA-N 2 0 254.393 2.620 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423339135 303375570 /nfs/dbraw/zinc/37/55/70/303375570.db2.gz WNBBRGIPRRJREZ-CYBMUJFWSA-N 2 0 268.788 2.882 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422982829 303422025 /nfs/dbraw/zinc/42/20/25/303422025.db2.gz RPDIBQMRFUUYGE-IAGOWNOFSA-N 2 0 258.409 2.509 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423551214 304858004 /nfs/dbraw/zinc/85/80/04/304858004.db2.gz UFKGTYLPQMSRQL-FSZRXZPDSA-N 2 0 285.435 2.911 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422731840 533696836 /nfs/dbraw/zinc/69/68/36/533696836.db2.gz MOJMFPDFUGPQAH-GFCCVEGCSA-N 2 0 285.391 2.708 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000414810372 533700167 /nfs/dbraw/zinc/70/01/67/533700167.db2.gz VHHORRUGDBNWQB-JSGCOSHPSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000164626479 322383425 /nfs/dbraw/zinc/38/34/25/322383425.db2.gz HWSYJDBCKVLRJZ-OAHLLOKOSA-N 2 0 278.444 2.727 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000569711521 322491702 /nfs/dbraw/zinc/49/17/02/322491702.db2.gz HAFKTFKLFKQYKH-OAHLLOKOSA-N 2 0 250.361 2.791 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CC([NH+](C)C)C2)C1 ZINC000570582214 322540504 /nfs/dbraw/zinc/54/05/04/322540504.db2.gz ZJWWJNMECXWMNB-QVOMUQBLSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000571080027 322568262 /nfs/dbraw/zinc/56/82/62/322568262.db2.gz LBWHKSFPNPDTBB-HNNXBMFYSA-N 2 0 299.503 2.636 20 0 CFADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000571519099 322586409 /nfs/dbraw/zinc/58/64/09/322586409.db2.gz BCWJQJZMFPXMDG-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@@H](CCN(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000572205315 322610743 /nfs/dbraw/zinc/61/07/43/322610743.db2.gz CIWLYEMPQWMCRY-KRWDZBQOSA-N 2 0 291.483 2.605 20 0 CFADRP COC1CCC(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000573234821 322649308 /nfs/dbraw/zinc/64/93/08/322649308.db2.gz ALHORJIZDLMMJL-YHNBSYBMSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000574010311 322677064 /nfs/dbraw/zinc/67/70/64/322677064.db2.gz UQFUCCCMOSZLCC-OVYGPGRDSA-N 2 0 282.472 2.900 20 0 CFADRP COC[C@H](C)C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000187672273 323999964 /nfs/dbraw/zinc/99/99/64/323999964.db2.gz DOTUSZVJJTYAHN-BZUAXINKSA-N 2 0 270.461 2.617 20 0 CFADRP CC[C@@H](O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189963036 324035332 /nfs/dbraw/zinc/03/53/32/324035332.db2.gz LBWDCMBAOQKEEY-YQQAZPJKSA-N 2 0 290.451 2.504 20 0 CFADRP Cc1c[nH+]ccc1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191977844 324056091 /nfs/dbraw/zinc/05/60/91/324056091.db2.gz NTDVDVKEQSSXHD-ZIAGYGMSSA-N 2 0 277.412 2.690 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000191977740 324056293 /nfs/dbraw/zinc/05/62/93/324056293.db2.gz WXNLQQFVCUGJIK-UHFFFAOYSA-N 2 0 281.403 2.755 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccnn1C ZINC000192634353 324062196 /nfs/dbraw/zinc/06/21/96/324062196.db2.gz SSQXMNMGWZCVPO-HNNXBMFYSA-N 2 0 298.434 2.867 20 0 CFADRP Cc1ncsc1C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211937017 324110911 /nfs/dbraw/zinc/11/09/11/324110911.db2.gz QRJDQFPFRULKAI-UHFFFAOYSA-N 2 0 287.432 2.729 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)sc1C ZINC000347377831 324140803 /nfs/dbraw/zinc/14/08/03/324140803.db2.gz UOBIFJRCOLECHA-IUODEOHRSA-N 2 0 295.496 2.876 20 0 CFADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000349428794 324174443 /nfs/dbraw/zinc/17/44/43/324174443.db2.gz ZOCNQAIPEKFOKF-JCHDWMMXSA-N 2 0 294.483 2.946 20 0 CFADRP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385921225 324471012 /nfs/dbraw/zinc/47/10/12/324471012.db2.gz AIQUQJVDSBQIQE-QZWWFDLISA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])COCc1ccccc1 ZINC000389946262 324522539 /nfs/dbraw/zinc/52/25/39/324522539.db2.gz ULDKPFKSJNUYBR-BPQIPLTHSA-N 2 0 290.451 2.946 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000576026646 324567910 /nfs/dbraw/zinc/56/79/10/324567910.db2.gz YZQNLGXOCCPPTD-OAHLLOKOSA-N 2 0 250.361 2.866 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000576702878 324648692 /nfs/dbraw/zinc/64/86/92/324648692.db2.gz AYRZUEDTLGAKOC-QZTJIDSGSA-N 2 0 289.467 2.614 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000577752590 324777291 /nfs/dbraw/zinc/77/72/91/324777291.db2.gz FBZOXASIVUDAFV-OKZBNKHCSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000578427213 324850483 /nfs/dbraw/zinc/85/04/83/324850483.db2.gz QINGFJONUSMYQM-MUJYYYPQSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C)s1 ZINC000578486190 324857191 /nfs/dbraw/zinc/85/71/91/324857191.db2.gz XBTRSRCKSMJPIX-LSDHHAIUSA-N 2 0 264.438 2.843 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000579481115 324954164 /nfs/dbraw/zinc/95/41/64/324954164.db2.gz UICVFWMZRZUTRO-UHFFFAOYSA-N 2 0 298.377 2.891 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000579567818 324961175 /nfs/dbraw/zinc/96/11/75/324961175.db2.gz ORFABWSUFBZNOF-CBHXASLJSA-N 2 0 296.418 2.682 20 0 CFADRP Cc1cnccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000580276443 325020791 /nfs/dbraw/zinc/02/07/91/325020791.db2.gz ZCMWSNIDPHGNPK-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000580392164 325031259 /nfs/dbraw/zinc/03/12/59/325031259.db2.gz BYMMOSOLSZBNEW-HNNXBMFYSA-N 2 0 270.486 2.792 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000580551026 325045516 /nfs/dbraw/zinc/04/55/16/325045516.db2.gz RRQKTFPOPCCZDQ-XJKSGUPXSA-N 2 0 262.397 2.611 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)CC1Cc2ccccc2C1 ZINC000580607505 325049860 /nfs/dbraw/zinc/04/98/60/325049860.db2.gz UWSFMAMAQHGTGL-UHFFFAOYSA-N 2 0 272.436 2.819 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)n1C ZINC000580660874 325054784 /nfs/dbraw/zinc/05/47/84/325054784.db2.gz WSKJOGDGMRIRHH-HIFRSBDPSA-N 2 0 279.428 2.659 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1F ZINC000580708343 325057755 /nfs/dbraw/zinc/05/77/55/325057755.db2.gz YNUZNDFKJYGJRA-OAHLLOKOSA-N 2 0 286.366 2.584 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000580761738 325061611 /nfs/dbraw/zinc/06/16/11/325061611.db2.gz WPFZMFKOMQZZAZ-AWEZNQCLSA-N 2 0 299.418 2.723 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000580939965 325076311 /nfs/dbraw/zinc/07/63/11/325076311.db2.gz QGKCNIVGUPOYEN-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000581199839 325100167 /nfs/dbraw/zinc/10/01/67/325100167.db2.gz KEPINWZTJORDKX-TWMKSMIVSA-N 2 0 274.408 2.766 20 0 CFADRP FC(F)c1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000581279742 325106755 /nfs/dbraw/zinc/10/67/55/325106755.db2.gz JJJDCUMUQFWINM-LBPRGKRZSA-N 2 0 277.318 2.994 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581357421 325113699 /nfs/dbraw/zinc/11/36/99/325113699.db2.gz LDPJVPIOOIPERJ-GXFFZTMASA-N 2 0 254.324 2.712 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581535968 325129347 /nfs/dbraw/zinc/12/93/47/325129347.db2.gz DYRAXDOVRHYPDG-FMKPAKJESA-N 2 0 276.424 2.691 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)CC(C)C ZINC000581559431 325133100 /nfs/dbraw/zinc/13/31/00/325133100.db2.gz ZLPYLVZYRQJUMK-OAGGEKHMSA-N 2 0 269.477 2.602 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000581931361 325160656 /nfs/dbraw/zinc/16/06/56/325160656.db2.gz QCHHUMPYOOXZOY-HZSPNIEDSA-N 2 0 286.423 2.601 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000582288717 325192843 /nfs/dbraw/zinc/19/28/43/325192843.db2.gz NDWOKWKQEJRLSR-BBRMVZONSA-N 2 0 299.418 2.851 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000582617748 325221003 /nfs/dbraw/zinc/22/10/03/325221003.db2.gz YBDOQXBDUUUUPE-OWCLPIDISA-N 2 0 295.858 2.802 20 0 CFADRP [NH3+]C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000582713264 325228168 /nfs/dbraw/zinc/22/81/68/325228168.db2.gz MDKVWZCKKKTGDD-QZTJIDSGSA-N 2 0 283.419 2.571 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000583090814 325259665 /nfs/dbraw/zinc/25/96/65/325259665.db2.gz OJHUNZRRJNLBMN-HZPDHXFCSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CCSCC1 ZINC000583145201 325263982 /nfs/dbraw/zinc/26/39/82/325263982.db2.gz AATVAQIIECDMMU-LBPRGKRZSA-N 2 0 264.438 2.767 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000583435084 325286872 /nfs/dbraw/zinc/28/68/72/325286872.db2.gz IZJMFOVXAWKCEH-UKRRQHHQSA-N 2 0 259.397 2.579 20 0 CFADRP CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000583806558 325311573 /nfs/dbraw/zinc/31/15/73/325311573.db2.gz YFPRHXVAUKCPAB-SJLPKXTDSA-N 2 0 289.467 2.627 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000584100918 325330535 /nfs/dbraw/zinc/33/05/35/325330535.db2.gz TXNFMKYTVSHSFQ-HPBDAGMYSA-N 2 0 287.451 2.587 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)C1(C)C ZINC000584225989 325338788 /nfs/dbraw/zinc/33/87/88/325338788.db2.gz VTUUVBUTNVQKHY-HUUCEWRRSA-N 2 0 270.461 2.804 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423258009 533709811 /nfs/dbraw/zinc/70/98/11/533709811.db2.gz LFURZUGHAIGPKX-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1C(F)(F)F ZINC000414896372 533715519 /nfs/dbraw/zinc/71/55/19/533715519.db2.gz OVGBDUDYJMKIIL-JTQLQIEISA-N 2 0 260.303 2.841 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1cc(C2C[NH2+]C2)ncn1 ZINC001243334665 782141631 /nfs/dbraw/zinc/14/16/31/782141631.db2.gz CNSJEOQPYKQBTM-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](Cc2ccccc2)OC)C1 ZINC000638409410 500665733 /nfs/dbraw/zinc/66/57/33/500665733.db2.gz LNWBFFUDWKVFLB-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP CCCC[C@@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000069371388 521037739 /nfs/dbraw/zinc/03/77/39/521037739.db2.gz SEGXOCSGXZNWPA-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP CCCC[C@H](COC)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360501689 521199276 /nfs/dbraw/zinc/19/92/76/521199276.db2.gz WRZOEJSSXGPGLI-OAHLLOKOSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[NH+](CCC)CCCN1CC[NH+](C(C)C)CC1 ZINC000191438127 521644601 /nfs/dbraw/zinc/64/46/01/521644601.db2.gz YKPXSRWMNNJTKO-UHFFFAOYSA-N 2 0 269.477 2.525 20 0 CFADRP CCSCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000302405367 521705366 /nfs/dbraw/zinc/70/53/66/521705366.db2.gz PFXRWMRGBJLGBE-ZIAGYGMSSA-N 2 0 250.411 2.864 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423176512 533754340 /nfs/dbraw/zinc/75/43/40/533754340.db2.gz GGHUDZUCDORFIS-CSFVBSKPSA-N 2 0 274.408 2.529 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000414342453 533754704 /nfs/dbraw/zinc/75/47/04/533754704.db2.gz PPRUWYUEIQXXKK-QXRTWZOPSA-N 2 0 288.435 2.729 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423176217 533754863 /nfs/dbraw/zinc/75/48/63/533754863.db2.gz FSEJIHYHCYVDGH-NXNVCVFFSA-N 2 0 274.408 2.516 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423176218 533756074 /nfs/dbraw/zinc/75/60/74/533756074.db2.gz FSEJIHYHCYVDGH-OHFALNGGSA-N 2 0 274.408 2.516 20 0 CFADRP C[C@@H](O)C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422880605 533758768 /nfs/dbraw/zinc/75/87/68/533758768.db2.gz XAEWXFMXKJSHOB-LMMWMHBBSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCCCO)CC2)C1 ZINC000192930418 533761254 /nfs/dbraw/zinc/76/12/54/533761254.db2.gz ZZISSCSJGJUEAV-NVXWUHKLSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000414681250 533838966 /nfs/dbraw/zinc/83/89/66/533838966.db2.gz VPDMCVVITVFKOK-DGCLKSJQSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H]([NH2+]CCCCOCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422719612 533845181 /nfs/dbraw/zinc/84/51/81/533845181.db2.gz LYNYAXMZOKICJC-WMZOPIPTSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(Br)c(F)c1 ZINC000423180516 533845951 /nfs/dbraw/zinc/84/59/51/533845951.db2.gz FAZNFOBMSZSGHL-QMMMGPOBSA-N 2 0 275.165 2.588 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000422767030 533846213 /nfs/dbraw/zinc/84/62/13/533846213.db2.gz SBHKFMGLMIWKAW-ILXRZTDVSA-N 2 0 270.461 2.935 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000422767031 533846992 /nfs/dbraw/zinc/84/69/92/533846992.db2.gz SBHKFMGLMIWKAW-KFWWJZLASA-N 2 0 270.461 2.935 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422839838 533844301 /nfs/dbraw/zinc/84/43/01/533844301.db2.gz RNUPZFYWJOGLDP-GFCCVEGCSA-N 2 0 277.387 2.957 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1Cn1cccn1 ZINC000422790440 533849537 /nfs/dbraw/zinc/84/95/37/533849537.db2.gz BYFQXWUVLFVVNN-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000422786101 533868798 /nfs/dbraw/zinc/86/87/98/533868798.db2.gz OLMYTNZSOZFFBR-HUUCEWRRSA-N 2 0 264.413 2.871 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423001266 533867527 /nfs/dbraw/zinc/86/75/27/533867527.db2.gz HPCWXGIDJXQGQQ-GFCCVEGCSA-N 2 0 270.804 2.574 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422933606 533868878 /nfs/dbraw/zinc/86/88/78/533868878.db2.gz BMSJFLOPEDFNNS-LLVKDONJSA-N 2 0 290.329 2.801 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000422790974 533870144 /nfs/dbraw/zinc/87/01/44/533870144.db2.gz CPAIBFGYFBQQLV-NEPJUHHUSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422770796 533883410 /nfs/dbraw/zinc/88/34/10/533883410.db2.gz XGWFLSZAKRDJNS-XQLPTFJDSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422729576 533902470 /nfs/dbraw/zinc/90/24/70/533902470.db2.gz KXYOYGXSQFENPI-IAOVAPTHSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC000414852394 533912265 /nfs/dbraw/zinc/91/22/65/533912265.db2.gz JYLMBWRFPBMYDG-JSGCOSHPSA-N 2 0 258.365 2.911 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414778518 533928082 /nfs/dbraw/zinc/92/80/82/533928082.db2.gz IYLNKLJLEOIXLK-HZPDHXFCSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000414853085 533939557 /nfs/dbraw/zinc/93/95/57/533939557.db2.gz KRLANSQUVSXIQA-QWHCGFSZSA-N 2 0 258.365 2.911 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414856657 533950138 /nfs/dbraw/zinc/95/01/38/533950138.db2.gz YWGDEQWOFJAXGD-SBJJXXPASA-N 2 0 274.408 2.688 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422759996 533952574 /nfs/dbraw/zinc/95/25/74/533952574.db2.gz LITZAVOGQYRUHO-SYCZCVCYSA-N 2 0 254.443 2.533 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000422866397 533962481 /nfs/dbraw/zinc/96/24/81/533962481.db2.gz QLIICDWZSISKOF-WTNVTLLGSA-N 2 0 291.483 2.512 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422745773 533977784 /nfs/dbraw/zinc/97/77/84/533977784.db2.gz MVAZBTQWGMDBKP-TZMCWYRMSA-N 2 0 258.365 2.958 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702674 533981825 /nfs/dbraw/zinc/98/18/25/533981825.db2.gz IGNKRWHJYMXZNM-KGLIPLIRSA-N 2 0 276.424 2.908 20 0 CFADRP COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000422732124 533987924 /nfs/dbraw/zinc/98/79/24/533987924.db2.gz OWVGCXIUQAGDEU-WDEREUQCSA-N 2 0 284.375 2.621 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415035097 533991002 /nfs/dbraw/zinc/99/10/02/533991002.db2.gz KMZYTDIBIAWYCI-OIISXLGYSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423111848 533995109 /nfs/dbraw/zinc/99/51/09/533995109.db2.gz WUBMTADXFVFSHV-APHBMKBZSA-N 2 0 295.858 2.673 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422840482 534000569 /nfs/dbraw/zinc/00/05/69/534000569.db2.gz BOCLRNMRGYGVFZ-JKSUJKDBSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423308827 534047864 /nfs/dbraw/zinc/04/78/64/534047864.db2.gz OXAXAGOELPFHRG-GFCCVEGCSA-N 2 0 252.361 2.941 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(Br)cc1Cl ZINC000414887119 534048405 /nfs/dbraw/zinc/04/84/05/534048405.db2.gz YSCMUTFDAFYDCC-MRVPVSSYSA-N 2 0 291.620 2.787 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414857659 534059249 /nfs/dbraw/zinc/05/92/49/534059249.db2.gz PXWGUCQMCBGMCP-STQMWFEESA-N 2 0 250.361 2.518 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414863864 534064041 /nfs/dbraw/zinc/06/40/41/534064041.db2.gz YIMFOMWNBCWKJN-CYBMUJFWSA-N 2 0 252.789 2.738 20 0 CFADRP Cc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1F ZINC000414900210 534068403 /nfs/dbraw/zinc/06/84/03/534068403.db2.gz IAAYUJCYXLXOGF-OAHLLOKOSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423125920 534068637 /nfs/dbraw/zinc/06/86/37/534068637.db2.gz QWTSFJAUJLRNNB-NRSFXHEJSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965794 534068960 /nfs/dbraw/zinc/06/89/60/534068960.db2.gz PTPZPLOQEMGSAV-KDOFPFPSSA-N 2 0 298.434 2.565 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)nc1 ZINC000414813427 534071132 /nfs/dbraw/zinc/07/11/32/534071132.db2.gz SZYDJMSQNMZBTK-ZDUSSCGKSA-N 2 0 255.365 2.700 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422712993 534072270 /nfs/dbraw/zinc/07/22/70/534072270.db2.gz JHAXXOMFBZWOLS-GDBMZVCRSA-N 2 0 293.430 2.630 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773011 534074404 /nfs/dbraw/zinc/07/44/04/534074404.db2.gz XSWBALKBIYPPFM-BXUZGUMPSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000422759531 534076435 /nfs/dbraw/zinc/07/64/35/534076435.db2.gz KXXHITMWAUXMEV-YQQAZPJKSA-N 2 0 276.424 2.569 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422784674 534077126 /nfs/dbraw/zinc/07/71/26/534077126.db2.gz QCWKUAUMGUKVPB-MBNYWOFBSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422755544 534079240 /nfs/dbraw/zinc/07/92/40/534079240.db2.gz FTPRDTRDIMIYEK-DJIMGWMZSA-N 2 0 287.451 2.687 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414690125 534091431 /nfs/dbraw/zinc/09/14/31/534091431.db2.gz HEYUVLWNPPPACP-HZSPNIEDSA-N 2 0 262.397 2.773 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422761168 534105276 /nfs/dbraw/zinc/10/52/76/534105276.db2.gz HIMGCXVJSDSNBL-UONOGXRCSA-N 2 0 266.454 2.944 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000422825872 534122522 /nfs/dbraw/zinc/12/25/22/534122522.db2.gz QCVVATXFZLPCTA-ZBFHGGJFSA-N 2 0 278.440 2.979 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423242889 534131024 /nfs/dbraw/zinc/13/10/24/534131024.db2.gz WAXIBMVSVHQWOP-DLBZAZTESA-N 2 0 258.409 2.658 20 0 CFADRP C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411525695 534148015 /nfs/dbraw/zinc/14/80/15/534148015.db2.gz CLRZLASKOFYPEU-HOTGVXAUSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414696145 534162875 /nfs/dbraw/zinc/16/28/75/534162875.db2.gz VJPAOGOGNPTPJZ-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(OCC(F)F)cc2)CCC[NH2+]C1 ZINC000414911469 534176751 /nfs/dbraw/zinc/17/67/51/534176751.db2.gz UBWRRYINFMAZQH-INIZCTEOSA-N 2 0 298.377 2.810 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCCS1 ZINC000422878437 534179207 /nfs/dbraw/zinc/17/92/07/534179207.db2.gz TTZCTMVIOIANBP-IMJJTQAJSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN(C)c1ccccc1 ZINC000422813062 534179468 /nfs/dbraw/zinc/17/94/68/534179468.db2.gz RISMUAXRXBUNSP-QFBILLFUSA-N 2 0 297.446 2.671 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCSC1 ZINC000423135392 534179918 /nfs/dbraw/zinc/17/99/18/534179918.db2.gz XWVAZYFYXFJIBW-CWRNSKLLSA-N 2 0 278.465 2.678 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423167993 534208401 /nfs/dbraw/zinc/20/84/01/534208401.db2.gz TVILFWXYGVROHS-HNKHHVNMSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CC[NH3+])s2)cc1 ZINC000414891114 534217457 /nfs/dbraw/zinc/21/74/57/534217457.db2.gz VBDSFEJWTAVFGT-LBPRGKRZSA-N 2 0 275.421 2.945 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895669 534231077 /nfs/dbraw/zinc/23/10/77/534231077.db2.gz YNITXJAQEMFHMM-HZMBPMFUSA-N 2 0 252.789 2.598 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414694777 534234386 /nfs/dbraw/zinc/23/43/86/534234386.db2.gz NUAJGJRBEMQCKG-YCPHGPKFSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414829068 534253029 /nfs/dbraw/zinc/25/30/29/534253029.db2.gz AJCOWORFCHWEFC-UONOGXRCSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420294500 534289144 /nfs/dbraw/zinc/28/91/44/534289144.db2.gz OOJDDMKJPQVSIP-SNVBAGLBSA-N 2 0 252.324 2.778 20 0 CFADRP Brc1csc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000084386088 518235522 /nfs/dbraw/zinc/23/55/22/518235522.db2.gz BMPFPXDHCOMIPZ-VIFPVBQESA-N 2 0 289.242 2.600 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422888745 534349746 /nfs/dbraw/zinc/34/97/46/534349746.db2.gz NSBATIATIVADSF-HOTGVXAUSA-N 2 0 271.364 2.568 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360972730 518394567 /nfs/dbraw/zinc/39/45/67/518394567.db2.gz CRFCQLWGOBTKDN-BBWFWOEESA-N 2 0 280.456 2.657 20 0 CFADRP Fc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000414826739 534441610 /nfs/dbraw/zinc/44/16/10/534441610.db2.gz GBWSRZNBDVTKHB-SNVBAGLBSA-N 2 0 290.304 2.934 20 0 CFADRP CC(C)[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000192923327 519643695 /nfs/dbraw/zinc/64/36/95/519643695.db2.gz DEKHEOKPUAAJGK-ALOPSCKCSA-N 2 0 281.488 2.710 20 0 CFADRP CC(C)CC[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000361243665 519683557 /nfs/dbraw/zinc/68/35/57/519683557.db2.gz JWLJUDWMAKHTTM-MRXNPFEDSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000159126692 519721815 /nfs/dbraw/zinc/72/18/15/519721815.db2.gz RHJMIVUSVNIBFI-IRXDYDNUSA-N 2 0 292.471 2.619 20 0 CFADRP CC(C)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000053012499 519744872 /nfs/dbraw/zinc/74/48/72/519744872.db2.gz FNQOXGIANWHVMJ-KRWDZBQOSA-N 2 0 260.425 2.797 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000224965570 519761002 /nfs/dbraw/zinc/76/10/02/519761002.db2.gz SZJHTSQLTZTYCG-JKSUJKDBSA-N 2 0 262.397 2.926 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228410254 519783181 /nfs/dbraw/zinc/78/31/81/519783181.db2.gz LVVWEQNNWMODHX-UHFFFAOYSA-N 2 0 262.397 2.706 20 0 CFADRP CC(C)Oc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000066152260 519784191 /nfs/dbraw/zinc/78/41/91/519784191.db2.gz JJCNEFWEZZXTMB-UHFFFAOYSA-N 2 0 262.397 2.645 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000070347232 519805101 /nfs/dbraw/zinc/80/51/01/519805101.db2.gz HILAYLKXAOUSNP-HOTGVXAUSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[C@](C)(O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000364349287 519829452 /nfs/dbraw/zinc/82/94/52/519829452.db2.gz XBRDTBMSNDNANM-GOSISDBHSA-N 2 0 296.499 2.837 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CCC(C)C)CC1 ZINC000361302563 519843935 /nfs/dbraw/zinc/84/39/35/519843935.db2.gz ZNOACQJNLVORPZ-INIZCTEOSA-N 2 0 270.461 2.590 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)COCC)CC1 ZINC000310846626 519846426 /nfs/dbraw/zinc/84/64/26/519846426.db2.gz NMXLQJHGESMSRP-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000364948015 519864064 /nfs/dbraw/zinc/86/40/64/519864064.db2.gz BUJLHORARMPOKH-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423450769 534452519 /nfs/dbraw/zinc/45/25/19/534452519.db2.gz XMXIUJZFZVMCDJ-RCCFBDPRSA-N 2 0 270.420 2.960 20 0 CFADRP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000414837946 534468006 /nfs/dbraw/zinc/46/80/06/534468006.db2.gz WNVTVGUBHJOVES-NSHDSACASA-N 2 0 290.304 2.934 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cc[nH+]1 ZINC000425346101 534469078 /nfs/dbraw/zinc/46/90/78/534469078.db2.gz AZMJRZFEECVKBW-DLBZAZTESA-N 2 0 271.408 2.829 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC[C@@H]3CC[NH2+]C3)ccc2n1 ZINC000414840437 534469043 /nfs/dbraw/zinc/46/90/43/534469043.db2.gz XBZSBMBBLWGVMV-AWEZNQCLSA-N 2 0 269.392 2.632 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)C12CCC2 ZINC000087708787 520364689 /nfs/dbraw/zinc/36/46/89/520364689.db2.gz OPKRKITVTABHTB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337988888 520502359 /nfs/dbraw/zinc/50/23/59/520502359.db2.gz OYOHBQKABXNPMT-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000245512505 520502683 /nfs/dbraw/zinc/50/26/83/520502683.db2.gz AAILHDNPTDIVAF-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422936323 534498140 /nfs/dbraw/zinc/49/81/40/534498140.db2.gz MAWQEPXWOFTZQB-LBEMJPCMSA-N 2 0 260.356 2.686 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000224374394 520578002 /nfs/dbraw/zinc/57/80/02/520578002.db2.gz OHOUFJXEOWXXEM-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C12CCC2 ZINC000224589997 520574361 /nfs/dbraw/zinc/57/43/61/520574361.db2.gz GPDNHLIKDWRKMT-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(CC)(CC)C[NH3+] ZINC000236753149 520583673 /nfs/dbraw/zinc/58/36/73/520583673.db2.gz BBIBZHVCAVFEQU-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP c1ccc2c(c1)SC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423146140 534503113 /nfs/dbraw/zinc/50/31/13/534503113.db2.gz ODZMRGZOHJHBKG-HABKJSAYSA-N 2 0 274.433 2.749 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000310831106 520631005 /nfs/dbraw/zinc/63/10/05/520631005.db2.gz GPGGKIHXXLQMFG-OLZOCXBDSA-N 2 0 252.406 2.571 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000076003327 520738966 /nfs/dbraw/zinc/73/89/66/520738966.db2.gz MDEWNVRFMDKFDY-CYBMUJFWSA-N 2 0 296.377 2.619 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(C)nc2)c1 ZINC000339282914 520754333 /nfs/dbraw/zinc/75/43/33/520754333.db2.gz NHGKHWSGGLFZIT-UHFFFAOYSA-N 2 0 298.434 2.917 20 0 CFADRP c1coc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422963276 534515097 /nfs/dbraw/zinc/51/50/97/534515097.db2.gz ICWWUQKMQCFJTH-SJLPKXTDSA-N 2 0 298.386 2.668 20 0 CFADRP CC1CC[NH+](CC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000361770291 521000966 /nfs/dbraw/zinc/00/09/66/521000966.db2.gz WMIUAWHDCCKUIL-MSOLQXFVSA-N 2 0 294.483 2.734 20 0 CFADRP CC1CC[NH+](CCN(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000340819665 521007498 /nfs/dbraw/zinc/00/74/98/521007498.db2.gz KEUNYWCNUPBUAZ-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300697785 521097617 /nfs/dbraw/zinc/09/76/17/521097617.db2.gz RJSDSCWYSPQTKJ-KCXAZCMYSA-N 2 0 262.397 2.520 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000088413732 521564347 /nfs/dbraw/zinc/56/43/47/521564347.db2.gz ZHLPHRQMJMHPDP-HNNXBMFYSA-N 2 0 292.423 2.667 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000155552766 521694563 /nfs/dbraw/zinc/69/45/63/521694563.db2.gz PRYJKQIDQADSSG-CABCVRRESA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(OC)CCCC2)C[C@H]1C ZINC000361563508 521720170 /nfs/dbraw/zinc/72/01/70/521720170.db2.gz GJUGQXFSNFUXIQ-CABCVRRESA-N 2 0 268.445 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000246389140 521720945 /nfs/dbraw/zinc/72/09/45/521720945.db2.gz AQUHWDPZYIKSGM-BPQIPLTHSA-N 2 0 289.467 2.609 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000353525545 521791153 /nfs/dbraw/zinc/79/11/53/521791153.db2.gz GZSATVUJYNTARR-UHFFFAOYSA-N 2 0 296.842 2.883 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1cc2ccccc2s1 ZINC000361950905 521793986 /nfs/dbraw/zinc/79/39/86/521793986.db2.gz FDVDUFDFXBJWKN-UHFFFAOYSA-N 2 0 278.421 2.569 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000226744265 521794534 /nfs/dbraw/zinc/79/45/34/521794534.db2.gz KRMIARDRZGMNKG-UHFFFAOYSA-N 2 0 278.440 2.652 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000226744520 521794969 /nfs/dbraw/zinc/79/49/69/521794969.db2.gz SHXUALMHBXENTQ-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000070189609 521985481 /nfs/dbraw/zinc/98/54/81/521985481.db2.gz PLPSEMTYGJZPKH-UHFFFAOYSA-N 2 0 294.414 2.916 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000312214706 521985743 /nfs/dbraw/zinc/98/57/43/521985743.db2.gz SNCKCQVDHJIQOK-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423316006 534607391 /nfs/dbraw/zinc/60/73/91/534607391.db2.gz BKNPBJOVAJQHME-CZUORRHYSA-N 2 0 280.387 2.622 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339408295 522056628 /nfs/dbraw/zinc/05/66/28/522056628.db2.gz XQYLIOLNMSNBMW-INIZCTEOSA-N 2 0 276.424 2.777 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C)sc1C ZINC000234740129 522289486 /nfs/dbraw/zinc/28/94/86/522289486.db2.gz ACIQFYBUYUEAGI-WCQYABFASA-N 2 0 270.442 2.769 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428053741 534638153 /nfs/dbraw/zinc/63/81/53/534638153.db2.gz MJJLZLXUJFKWPU-HOCLYGCPSA-N 2 0 278.827 2.956 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745867 522516100 /nfs/dbraw/zinc/51/61/00/522516100.db2.gz UHGAYYWGBPCMCS-WBVHZDCISA-N 2 0 290.451 2.912 20 0 CFADRP COC[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309780837 522627040 /nfs/dbraw/zinc/62/70/40/522627040.db2.gz DZLQNTXRUVOWTA-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP Clc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414856017 534651027 /nfs/dbraw/zinc/65/10/27/534651027.db2.gz YCGOQGNUYUZCMW-GFCCVEGCSA-N 2 0 252.789 2.819 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000234808037 522669117 /nfs/dbraw/zinc/66/91/17/522669117.db2.gz YFMNSVUSKRKVJP-GXTWGEPZSA-N 2 0 280.437 2.567 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000442918329 534653073 /nfs/dbraw/zinc/65/30/73/534653073.db2.gz GPMORFNAYYGMRM-CYBMUJFWSA-N 2 0 298.377 2.891 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422944781 534665107 /nfs/dbraw/zinc/66/51/07/534665107.db2.gz STOTXFCLOVOWFM-RDJZCZTQSA-N 2 0 260.425 2.824 20 0 CFADRP CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000360933398 523400720 /nfs/dbraw/zinc/40/07/20/523400720.db2.gz OGBDLZVXOOTFAI-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422945658 534714705 /nfs/dbraw/zinc/71/47/05/534714705.db2.gz NPCDNKOUBWQHNF-ZIAGYGMSSA-N 2 0 252.789 2.742 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000338417424 523586147 /nfs/dbraw/zinc/58/61/47/523586147.db2.gz AYKWOSZOILQGGD-CQSZACIVSA-N 2 0 298.858 2.829 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000227497508 523752249 /nfs/dbraw/zinc/75/22/49/523752249.db2.gz ZSFOQRSUUUMEOM-CYBMUJFWSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194027801 523760351 /nfs/dbraw/zinc/76/03/51/523760351.db2.gz LJJKHRIATZPHOC-IXDOHACOSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000374613288 523823483 /nfs/dbraw/zinc/82/34/83/523823483.db2.gz OHEXDHBNPDYRJA-WBVHZDCISA-N 2 0 292.398 2.763 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000337333872 523838389 /nfs/dbraw/zinc/83/83/89/523838389.db2.gz KDKGTKKFOCKRQS-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000360933397 523874528 /nfs/dbraw/zinc/87/45/28/523874528.db2.gz OGBDLZVXOOTFAI-CABCVRRESA-N 2 0 294.439 2.703 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+]CCC2CCCCC2)CC1 ZINC000361588251 524040046 /nfs/dbraw/zinc/04/00/46/524040046.db2.gz REUWXNLPFWRLPH-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000056522301 524050769 /nfs/dbraw/zinc/05/07/69/524050769.db2.gz UXKXMTSROMWJQU-UHFFFAOYSA-N 2 0 294.414 2.868 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000312915840 524137091 /nfs/dbraw/zinc/13/70/91/524137091.db2.gz LNZSUJWZFMYWER-CHWSQXEVSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000311808027 524137969 /nfs/dbraw/zinc/13/79/69/524137969.db2.gz IEQIEIGEDAOFHS-BZUAXINKSA-N 2 0 269.477 2.604 20 0 CFADRP COc1cccc([C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094070074 524148467 /nfs/dbraw/zinc/14/84/67/524148467.db2.gz TZJAVVSALJWCIC-AWEZNQCLSA-N 2 0 292.423 2.586 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000049554285 524168246 /nfs/dbraw/zinc/16/82/46/524168246.db2.gz SAVNAVLAAYLVHI-OLZOCXBDSA-N 2 0 262.397 2.612 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480542 524258567 /nfs/dbraw/zinc/25/85/67/524258567.db2.gz RGNHOFYCXPUILJ-HOTGVXAUSA-N 2 0 260.425 2.918 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000245549482 524383686 /nfs/dbraw/zinc/38/36/86/524383686.db2.gz ZHNSMHHOAZYOPQ-IXDOHACOSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Br ZINC000313695885 524389486 /nfs/dbraw/zinc/38/94/86/524389486.db2.gz TWNJJDSSWAXYNB-UHFFFAOYSA-N 2 0 297.240 2.941 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000235175804 524469802 /nfs/dbraw/zinc/46/98/02/524469802.db2.gz DTYUFWBEKRHGAM-DGCLKSJQSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1cc(C)cc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000151787058 524469774 /nfs/dbraw/zinc/46/97/74/524469774.db2.gz MMRYITPEDHXHLI-INIZCTEOSA-N 2 0 290.451 2.658 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414696910 534792701 /nfs/dbraw/zinc/79/27/01/534792701.db2.gz BRNYCRMTBRMKRS-PWSUYJOCSA-N 2 0 267.442 2.664 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172191023 524578031 /nfs/dbraw/zinc/57/80/31/524578031.db2.gz DXBUMYYWUBFELB-KURKYZTESA-N 2 0 291.483 2.586 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000334858415 524696625 /nfs/dbraw/zinc/69/66/25/524696625.db2.gz TWWRAZMTGVFANS-XHDPSFHLSA-N 2 0 289.810 2.976 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000168644119 524701635 /nfs/dbraw/zinc/70/16/35/524701635.db2.gz RXIVWOMLPOMSKZ-ZIAGYGMSSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1F ZINC000335023907 524772637 /nfs/dbraw/zinc/77/26/37/524772637.db2.gz LBAUYYUGGMLPRR-IAQYHMDHSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000216051378 524781204 /nfs/dbraw/zinc/78/12/04/524781204.db2.gz HIIAYQQZRXEGSW-JQWIXIFHSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)CC[NH2+]1 ZINC000334861322 524810825 /nfs/dbraw/zinc/81/08/25/524810825.db2.gz AUCPUQAXTZWTFB-GWCFXTLKSA-N 2 0 283.213 2.679 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1C ZINC000151802887 524871984 /nfs/dbraw/zinc/87/19/84/524871984.db2.gz VJWGMBMUOZKOSK-INIZCTEOSA-N 2 0 290.451 2.658 20 0 CFADRP COc1ccsc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336068633 524879898 /nfs/dbraw/zinc/87/98/98/524879898.db2.gz JJEBOXJHDQFLCM-UHFFFAOYSA-N 2 0 280.437 2.817 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049156044 524939381 /nfs/dbraw/zinc/93/93/81/524939381.db2.gz RWYDVNIOMPMKPS-STQMWFEESA-N 2 0 266.454 2.999 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000050577666 524976912 /nfs/dbraw/zinc/97/69/12/524976912.db2.gz WLFNVWRLIKYXJP-CYBMUJFWSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000334853640 525092924 /nfs/dbraw/zinc/09/29/24/525092924.db2.gz FPMXLUKFEPMOFH-ABAIWWIYSA-N 2 0 289.810 2.976 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000356830690 525339845 /nfs/dbraw/zinc/33/98/45/525339845.db2.gz ATNIRNURUSHRAU-YVSFHVDLSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423289496 534850515 /nfs/dbraw/zinc/85/05/15/534850515.db2.gz BDUTUXPQZQARMO-RYUDHWBXSA-N 2 0 272.396 2.599 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309706225 525391687 /nfs/dbraw/zinc/39/16/87/525391687.db2.gz HVJKAMFIDNBJDL-HOCLYGCPSA-N 2 0 284.407 2.582 20 0 CFADRP CSCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252952012 525437745 /nfs/dbraw/zinc/43/77/45/525437745.db2.gz PMMPLNBMNRZBAG-BFHYXJOUSA-N 2 0 256.459 2.640 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000361722186 525469809 /nfs/dbraw/zinc/46/98/09/525469809.db2.gz YZAABRSUIXTQLE-INMHGKMJSA-N 2 0 276.424 2.692 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000168609962 525734636 /nfs/dbraw/zinc/73/46/36/525734636.db2.gz UWJKJMLLYCQBRM-UKRRQHHQSA-N 2 0 285.391 2.819 20 0 CFADRP COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000228761338 526097292 /nfs/dbraw/zinc/09/72/92/526097292.db2.gz IIYHWIIBGIVHGU-GFCCVEGCSA-N 2 0 282.815 2.909 20 0 CFADRP FCCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367446478 526280582 /nfs/dbraw/zinc/28/05/82/526280582.db2.gz FGCHIULIJGERDB-ILXRZTDVSA-N 2 0 254.393 2.542 20 0 CFADRP O[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000305168395 526306749 /nfs/dbraw/zinc/30/67/49/526306749.db2.gz TVBLORYVLYLKJY-YJBOKZPZSA-N 2 0 294.483 2.924 20 0 CFADRP Fc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000334871654 526331469 /nfs/dbraw/zinc/33/14/69/526331469.db2.gz ZACIKHDWTMGYQI-HOCLYGCPSA-N 2 0 262.372 2.790 20 0 CFADRP Fc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336127177 526347785 /nfs/dbraw/zinc/34/77/85/526347785.db2.gz PBDGNMWGKAVRBP-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000422927277 526423412 /nfs/dbraw/zinc/42/34/12/526423412.db2.gz YOPDWZSHVIBXPI-AVEIZBFRSA-N 2 0 292.467 2.702 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000309724488 526469829 /nfs/dbraw/zinc/46/98/29/526469829.db2.gz NCISAERAZWUCMN-DLBZAZTESA-N 2 0 290.476 2.851 20 0 CFADRP CC(C)(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422961578 526801287 /nfs/dbraw/zinc/80/12/87/526801287.db2.gz ZHNKAGBLZHSULN-GJZGRUSLSA-N 2 0 276.424 2.832 20 0 CFADRP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000334879731 526948711 /nfs/dbraw/zinc/94/87/11/526948711.db2.gz DGYCXUFHBVDDST-PBWFPOADSA-N 2 0 250.773 2.713 20 0 CFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000422703761 527169856 /nfs/dbraw/zinc/16/98/56/527169856.db2.gz IMUMJYNJORFKIS-XYPWUTKMSA-N 2 0 276.399 2.976 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422909990 527180571 /nfs/dbraw/zinc/18/05/71/527180571.db2.gz HDFMGRLYTFNKLG-CVEARBPZSA-N 2 0 260.425 2.972 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000070170534 527191689 /nfs/dbraw/zinc/19/16/89/527191689.db2.gz GDNRQZMQFAOPEV-AWEZNQCLSA-N 2 0 280.387 2.655 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000336423325 527193928 /nfs/dbraw/zinc/19/39/28/527193928.db2.gz HJIZAHSUCLSXFT-WBMJQRKESA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000070149462 527194467 /nfs/dbraw/zinc/19/44/67/527194467.db2.gz DAPKOXSJJNJAPC-OAHLLOKOSA-N 2 0 280.387 2.798 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000084220600 527213321 /nfs/dbraw/zinc/21/33/21/527213321.db2.gz AZOAHKYIMSORCV-GWCFXTLKSA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000084222318 527235506 /nfs/dbraw/zinc/23/55/06/527235506.db2.gz GEOCQCCCHOECBO-KCJUWKMLSA-N 2 0 289.242 2.728 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423282621 527260462 /nfs/dbraw/zinc/26/04/62/527260462.db2.gz CYYJZFKYFQOPGI-KBPBESRZSA-N 2 0 262.397 2.559 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013886 527343019 /nfs/dbraw/zinc/34/30/19/527343019.db2.gz DAFGVNNHMQOZPR-NVXWUHKLSA-N 2 0 273.424 2.794 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCCOc3ccccc3)C[C@H]12 ZINC000339406922 527368824 /nfs/dbraw/zinc/36/88/24/527368824.db2.gz HXAULFXVJFOLRU-BPQIPLTHSA-N 2 0 288.435 2.905 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccccc2)c2ccccc21 ZINC000157426767 527377262 /nfs/dbraw/zinc/37/72/62/527377262.db2.gz YLLUHMHYOJBJGO-SJORKVTESA-N 2 0 268.360 2.800 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000334866980 527401680 /nfs/dbraw/zinc/40/16/80/527401680.db2.gz XUVYEFUEJXRKSJ-DLBZAZTESA-N 2 0 292.398 2.544 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423260319 527487905 /nfs/dbraw/zinc/48/79/05/527487905.db2.gz PYTFFCWLFMKCJA-LUKYLMHMSA-N 2 0 280.456 2.561 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000334834491 527569349 /nfs/dbraw/zinc/56/93/49/527569349.db2.gz QDZHEJIBCOJKOI-UHFFFAOYSA-N 2 0 282.391 2.952 20 0 CFADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423174630 527616036 /nfs/dbraw/zinc/61/60/36/527616036.db2.gz BMKYJEWEBJRPRK-NHZBNJEXSA-N 2 0 276.424 2.901 20 0 CFADRP O[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)C[NH+]1CCCC1 ZINC000360250309 527655411 /nfs/dbraw/zinc/65/54/11/527655411.db2.gz OMFKROLXIRXIQI-WMZOPIPTSA-N 2 0 288.435 2.500 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000228407736 527681901 /nfs/dbraw/zinc/68/19/01/527681901.db2.gz DSYMHBWXRWWUKW-UHFFFAOYSA-N 2 0 272.314 2.937 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422873543 527695321 /nfs/dbraw/zinc/69/53/21/527695321.db2.gz LMQAUQXLGCBQLM-YESZJQIVSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417921667 527725316 /nfs/dbraw/zinc/72/53/16/527725316.db2.gz BGSHAPACIIMMFL-INIZCTEOSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415090798 527725398 /nfs/dbraw/zinc/72/53/98/527725398.db2.gz ZPDQIGDMGFYJPT-WMZOPIPTSA-N 3 0 295.515 2.865 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423149031 527741484 /nfs/dbraw/zinc/74/14/84/527741484.db2.gz ADZBMXJSGRWYGP-WRQOLXDDSA-N 2 0 282.472 2.935 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000414075971 527814607 /nfs/dbraw/zinc/81/46/07/527814607.db2.gz PQVPUHYHAFYJGQ-QLFBSQMISA-N 2 0 282.472 2.900 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)C[C@@H]1Oc1ccccc1 ZINC000423340542 527866551 /nfs/dbraw/zinc/86/65/51/527866551.db2.gz XJQMQDVAQORQCY-CABCVRRESA-N 2 0 274.408 2.704 20 0 CFADRP CCN(C)c1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000414817654 527868928 /nfs/dbraw/zinc/86/89/28/527868928.db2.gz SOXWFDPHZYTYPF-CQSZACIVSA-N 2 0 298.434 2.847 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1(CC)CC ZINC000422837789 527952332 /nfs/dbraw/zinc/95/23/32/527952332.db2.gz MUFASPZEWRXNJH-FXUDXRNXSA-N 2 0 282.472 2.948 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422874219 527959831 /nfs/dbraw/zinc/95/98/31/527959831.db2.gz CHYDXRHLURSBFO-QWHCGFSZSA-N 2 0 277.412 2.641 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422877039 527960423 /nfs/dbraw/zinc/96/04/23/527960423.db2.gz HFYOKAQXKRICGU-ZBFHGGJFSA-N 2 0 289.423 2.642 20 0 CFADRP CC1(F)CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423145917 528017056 /nfs/dbraw/zinc/01/70/56/528017056.db2.gz NDKMSOWMNGAYAL-PEGGXJLSSA-N 2 0 254.393 2.777 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000414089853 528037763 /nfs/dbraw/zinc/03/77/63/528037763.db2.gz CYLDGAHIXVDASX-KFWWJZLASA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423161010 528085996 /nfs/dbraw/zinc/08/59/96/528085996.db2.gz IIBLYAYNJPYNHK-NOXHYTERSA-N 2 0 260.381 2.677 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423244793 528133835 /nfs/dbraw/zinc/13/38/35/528133835.db2.gz NZXRFKGEPNVGGW-BBRMVZONSA-N 2 0 263.429 2.527 20 0 CFADRP CC(C)COc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301610 528164630 /nfs/dbraw/zinc/16/46/30/528164630.db2.gz HZBZGAPXNNPFQJ-ZDUSSCGKSA-N 2 0 262.397 2.591 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414806936 528173856 /nfs/dbraw/zinc/17/38/56/528173856.db2.gz QOGKKVYSFWAHMU-WBVHZDCISA-N 2 0 276.424 2.938 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425346359 528189584 /nfs/dbraw/zinc/18/95/84/528189584.db2.gz KHEXKERYXPWYRF-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414862221 528202103 /nfs/dbraw/zinc/20/21/03/528202103.db2.gz VFRUREWBQGQIFW-UHFFFAOYSA-N 2 0 267.461 2.502 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2nnc(C(C)C)s2)CC1 ZINC000426299108 528202700 /nfs/dbraw/zinc/20/27/00/528202700.db2.gz SDHFIZJBBNQURH-UHFFFAOYSA-N 2 0 296.484 2.668 20 0 CFADRP CCC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423306735 528217086 /nfs/dbraw/zinc/21/70/86/528217086.db2.gz UPESQVVYWJPDCB-AWEZNQCLSA-N 2 0 252.789 2.990 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422727431 528246485 /nfs/dbraw/zinc/24/64/85/528246485.db2.gz CIYJLWVSXYJQCG-JQHSSLGASA-N 2 0 289.467 2.800 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000422896549 528272311 /nfs/dbraw/zinc/27/23/11/528272311.db2.gz AJQMNCOAAIMNHI-TZMCWYRMSA-N 2 0 281.469 2.916 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cs1 ZINC000422896775 528272539 /nfs/dbraw/zinc/27/25/39/528272539.db2.gz AYKBVCVFFOLDJQ-QWRGUYRKSA-N 2 0 255.431 2.524 20 0 CFADRP CCOc1cc(C[NH2+]CCCC[NH3+])cc(Cl)c1OC ZINC000414905915 528275056 /nfs/dbraw/zinc/27/50/56/528275056.db2.gz OSRYMTCWIFHSFG-UHFFFAOYSA-N 2 0 286.803 2.576 20 0 CFADRP CCOc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1OC ZINC000414915271 528278141 /nfs/dbraw/zinc/27/81/41/528278141.db2.gz ZNLZPVILCNQFLV-QGZVFWFLSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)SCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423111661 528320472 /nfs/dbraw/zinc/32/04/72/528320472.db2.gz RAAOGAOMCQLVBY-ZFWWWQNUSA-N 2 0 266.454 2.676 20 0 CFADRP CC[NH2+]Cc1cccc(NC[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414860547 528349286 /nfs/dbraw/zinc/34/92/86/528349286.db2.gz CWDBHHZVGXLAML-HIFRSBDPSA-N 2 0 261.413 2.596 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423171833 528412713 /nfs/dbraw/zinc/41/27/13/528412713.db2.gz QEDSJLBUGVFSGG-LYYZXLFJSA-N 2 0 250.430 2.931 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000414166152 528413426 /nfs/dbraw/zinc/41/34/26/528413426.db2.gz DMUVVNWNTSIZPG-OXGONZEZSA-N 2 0 250.430 2.883 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414969875 528456413 /nfs/dbraw/zinc/45/64/13/528456413.db2.gz JUHXYKRIFMJCML-HNNXBMFYSA-N 2 0 292.423 2.716 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422785663 528459378 /nfs/dbraw/zinc/45/93/78/528459378.db2.gz NQLKVOSEDQIUPW-SJLPKXTDSA-N 2 0 289.467 2.881 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829697 528464206 /nfs/dbraw/zinc/46/42/06/528464206.db2.gz HRSIOFIDVRNNAU-USXIJHARSA-N 2 0 275.440 2.941 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000422847017 528465429 /nfs/dbraw/zinc/46/54/29/528465429.db2.gz QSVCTJYAWDDKPP-RCCFBDPRSA-N 2 0 295.515 2.850 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422737146 528469339 /nfs/dbraw/zinc/46/93/39/528469339.db2.gz HQBHMYSVVRRMHA-GVDBMIGSSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC(C)(C)[NH3+] ZINC000423288613 528488217 /nfs/dbraw/zinc/48/82/17/528488217.db2.gz TYMUYYBLIAZJPM-OAHLLOKOSA-N 2 0 264.413 2.555 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414874914 528513762 /nfs/dbraw/zinc/51/37/62/528513762.db2.gz TVAARLFRDIAPPT-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423269674 528519486 /nfs/dbraw/zinc/51/94/86/528519486.db2.gz WDKPQLBDZZQAOI-RCCFBDPRSA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000422709547 528578698 /nfs/dbraw/zinc/57/86/98/528578698.db2.gz KOWXLBAPXCHWHZ-STQMWFEESA-N 2 0 252.406 2.632 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000422708870 528578759 /nfs/dbraw/zinc/57/87/59/528578759.db2.gz JSSKFZGESYNJNE-RDBSUJKOSA-N 2 0 264.417 2.503 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCC[NH3+])c1cc(F)ccc1F ZINC000423320471 528584537 /nfs/dbraw/zinc/58/45/37/528584537.db2.gz GKVKRVLHWBYXGF-CQSZACIVSA-N 2 0 256.340 2.990 20 0 CFADRP CCCOc1c(C[NH2+]C[C@H](C)C[NH3+])cccc1OCC ZINC000414882254 528612928 /nfs/dbraw/zinc/61/29/28/528612928.db2.gz SYOWXHBNKPNXDH-CYBMUJFWSA-N 2 0 280.412 2.559 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)CCC1 ZINC000422948095 528635912 /nfs/dbraw/zinc/63/59/12/528635912.db2.gz ZQULIOGUCABKRB-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC1 ZINC000422937693 528636879 /nfs/dbraw/zinc/63/68/79/528636879.db2.gz JWYGDSVFSOXLAE-GJZGRUSLSA-N 2 0 268.445 2.690 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423337656 528641570 /nfs/dbraw/zinc/64/15/70/528641570.db2.gz KKCVUGVPXPULGH-UXLLHSPISA-N 2 0 282.472 2.950 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1(C)C ZINC000423274155 528641732 /nfs/dbraw/zinc/64/17/32/528641732.db2.gz LLRIVZUXYZWVEQ-MELADBBJSA-N 2 0 256.434 2.543 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000422815260 528641915 /nfs/dbraw/zinc/64/19/15/528641915.db2.gz BCSWASDOGMWHBK-PFSRBDOWSA-N 2 0 268.445 2.830 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1(C)C ZINC000422819905 528642615 /nfs/dbraw/zinc/64/26/15/528642615.db2.gz OFKXVRUCZWAVBP-LVQVYYBASA-N 2 0 282.472 2.948 20 0 CFADRP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414846288 528656139 /nfs/dbraw/zinc/65/61/39/528656139.db2.gz DXINNEOEUPVUNR-UKRRQHHQSA-N 2 0 262.397 2.563 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)[C@H](C)C1 ZINC000414221871 528664800 /nfs/dbraw/zinc/66/48/00/528664800.db2.gz MUPWCLIUDZMHBL-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)n1nccc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414812433 528678866 /nfs/dbraw/zinc/67/88/66/528678866.db2.gz KZWHPTJNCUVTNP-CYBMUJFWSA-N 2 0 272.396 2.774 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414921775 528691169 /nfs/dbraw/zinc/69/11/69/528691169.db2.gz FVCLIOOJNLMYHZ-GJZGRUSLSA-N 2 0 292.423 2.844 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422892094 528726181 /nfs/dbraw/zinc/72/61/81/528726181.db2.gz MCCCUAVEGBNCQK-QWHCGFSZSA-N 2 0 292.423 2.743 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414820609 528757230 /nfs/dbraw/zinc/75/72/30/528757230.db2.gz ALLDBNXTODXJSP-HNNXBMFYSA-N 2 0 262.397 2.565 20 0 CFADRP CCCOc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414829595 528757552 /nfs/dbraw/zinc/75/75/52/528757552.db2.gz LEARMJDQYWGZCG-AWEZNQCLSA-N 2 0 262.397 2.565 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414680360 528800851 /nfs/dbraw/zinc/80/08/51/528800851.db2.gz MYTHLZPAEAVKQF-UKRRQHHQSA-N 2 0 290.407 2.625 20 0 CFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423121844 528828473 /nfs/dbraw/zinc/82/84/73/528828473.db2.gz JJGPQAZNEICVQE-ARFHVFGLSA-N 2 0 269.477 2.616 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000191495972 528864198 /nfs/dbraw/zinc/86/41/98/528864198.db2.gz FGWSOWGOSZTNOC-INIZCTEOSA-N 2 0 292.471 2.642 20 0 CFADRP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000415003832 528876704 /nfs/dbraw/zinc/87/67/04/528876704.db2.gz XPPJQZJLJJTXBN-CABCVRRESA-N 2 0 278.444 2.517 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414813638 528948504 /nfs/dbraw/zinc/94/85/04/528948504.db2.gz UKPMTGQRBWTANT-CYBMUJFWSA-N 2 0 256.434 2.546 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1ccccc1OC ZINC000414802459 528952733 /nfs/dbraw/zinc/95/27/33/528952733.db2.gz BMVHVMHGHRDQSU-CYBMUJFWSA-N 2 0 264.413 2.733 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1ccccc1F ZINC000414809044 528953119 /nfs/dbraw/zinc/95/31/19/528953119.db2.gz LRVSINLQGAPBQM-GFCCVEGCSA-N 2 0 252.377 2.864 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000423292162 528954872 /nfs/dbraw/zinc/95/48/72/528954872.db2.gz LTAPAHSLAJALSI-CABCVRRESA-N 2 0 298.471 2.996 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414119747 528970579 /nfs/dbraw/zinc/97/05/79/528970579.db2.gz WSOKEVFUUOHUSM-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP CC(C)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422965833 529018078 /nfs/dbraw/zinc/01/80/78/529018078.db2.gz PVPAXHMFODCCNT-BZSNNMDCSA-N 2 0 295.515 2.994 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247076 529028669 /nfs/dbraw/zinc/02/86/69/529028669.db2.gz KQXHVFHZZNJASU-AEFFLSMTSA-N 2 0 290.451 2.817 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[C@H](C)[NH3+] ZINC000423223565 529029059 /nfs/dbraw/zinc/02/90/59/529029059.db2.gz GPAXHGYUHHKGOW-HOCLYGCPSA-N 2 0 264.413 2.555 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423349828 529031192 /nfs/dbraw/zinc/03/11/92/529031192.db2.gz XSMCPMTUIXATDA-KRWDZBQOSA-N 2 0 276.399 2.902 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414804860 529069976 /nfs/dbraw/zinc/06/99/76/529069976.db2.gz XXVGZQIRXKOTPG-GVDBMIGSSA-N 2 0 260.425 2.971 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@@H]1OC ZINC000422933018 529111558 /nfs/dbraw/zinc/11/15/58/529111558.db2.gz DALJDHPAERJEQP-TUVASFSCSA-N 2 0 268.445 2.558 20 0 CFADRP CCC1(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCOCC1 ZINC000414779585 529117149 /nfs/dbraw/zinc/11/71/49/529117149.db2.gz KLRVZQCLZOYJLB-HZPDHXFCSA-N 2 0 280.456 2.515 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH3+])c1cc(Cl)ccc1OC ZINC000423186551 529161437 /nfs/dbraw/zinc/16/14/37/529161437.db2.gz KIWYPPXRUYOMKR-GFCCVEGCSA-N 2 0 256.777 2.738 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(OC)c1 ZINC000425949141 529171802 /nfs/dbraw/zinc/17/18/02/529171802.db2.gz DOTPGYXNGGPOPV-CZUORRHYSA-N 2 0 264.413 2.934 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423310909 529172569 /nfs/dbraw/zinc/17/25/69/529172569.db2.gz SOXXCZBFTNGBLV-GXTWGEPZSA-N 2 0 250.386 2.639 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccncc1 ZINC000414195452 529185153 /nfs/dbraw/zinc/18/51/53/529185153.db2.gz WKKYXGIQLUDCJF-MRXNPFEDSA-N 2 0 266.348 2.970 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000423162514 529212908 /nfs/dbraw/zinc/21/29/08/529212908.db2.gz TZGZQWPIYQXTRA-HWWQOWPSSA-N 2 0 279.428 2.560 20 0 CFADRP CCS[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422831819 529227030 /nfs/dbraw/zinc/22/70/30/529227030.db2.gz FEZAVZASEVIAHV-AWQNUYMJSA-N 2 0 268.470 2.923 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414785325 529312646 /nfs/dbraw/zinc/31/26/46/529312646.db2.gz SMEAEQXLNCCNPW-IXDOHACOSA-N 2 0 294.483 2.890 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000427140043 529336680 /nfs/dbraw/zinc/33/66/80/529336680.db2.gz MXAJARJABWUJFW-HYVNUMGLSA-N 2 0 258.409 2.864 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422848741 529370047 /nfs/dbraw/zinc/37/00/47/529370047.db2.gz KIEMNGNHICURQA-YRGRVCCFSA-N 2 0 268.376 2.699 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1F ZINC000422816420 529370448 /nfs/dbraw/zinc/37/04/48/529370448.db2.gz FDOCWLGMRZELHO-NFAWXSAZSA-N 2 0 280.387 2.700 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1C ZINC000422922916 529370642 /nfs/dbraw/zinc/37/06/42/529370642.db2.gz UQPVPHOQTBLLQK-OAGGEKHMSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(F)c1 ZINC000422855491 529371140 /nfs/dbraw/zinc/37/11/40/529371140.db2.gz VPHXJVYEMDGVDA-LXZKKBNFSA-N 2 0 294.414 2.961 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000435386689 534947164 /nfs/dbraw/zinc/94/71/64/534947164.db2.gz VDEPPVGSPGYSDV-CWRNSKLLSA-N 2 0 286.419 2.569 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000449560602 535092548 /nfs/dbraw/zinc/09/25/48/535092548.db2.gz NFAPZAPJKQNIIL-LNRIEFBSSA-N 2 0 290.455 2.610 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444594963 535497282 /nfs/dbraw/zinc/49/72/82/535497282.db2.gz VBNXSEIFHAYPOH-UHFFFAOYSA-N 3 0 295.515 2.916 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(C(C)C)C(C)C)CC1 ZINC000449744387 535673165 /nfs/dbraw/zinc/67/31/65/535673165.db2.gz GRZQJMSGMIERIH-UHFFFAOYSA-N 2 0 297.531 2.920 20 0 CFADRP CC[NH+]1C[C@H](C)N(CC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000459463627 535780714 /nfs/dbraw/zinc/78/07/14/535780714.db2.gz OCRRAQKKKGKURZ-IRXDYDNUSA-N 2 0 289.467 2.533 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccncc1 ZINC000453058439 535804385 /nfs/dbraw/zinc/80/43/85/535804385.db2.gz JKFIPHOQITVJFH-GDBMZVCRSA-N 2 0 261.413 2.854 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](C)O ZINC000449536150 535894131 /nfs/dbraw/zinc/89/41/31/535894131.db2.gz FARDFUODWXUEKI-BBRMVZONSA-N 2 0 268.445 2.533 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000459743916 535899277 /nfs/dbraw/zinc/89/92/77/535899277.db2.gz XFWDJUJHAGRUDP-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CC[C@](C)(CC)C2)C1 ZINC000447302322 535909115 /nfs/dbraw/zinc/90/91/15/535909115.db2.gz PEROXQUPSBQLGX-OSYLJGHBSA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000459742490 535943198 /nfs/dbraw/zinc/94/31/98/535943198.db2.gz OYIAZJKYDDOTGL-SJORKVTESA-N 2 0 280.456 2.941 20 0 CFADRP CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc[nH+]c2ccccc21 ZINC000432923357 536375248 /nfs/dbraw/zinc/37/52/48/536375248.db2.gz SAVIYECXLIKRQJ-UHFFFAOYSA-N 2 0 299.418 2.782 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459567296 536389533 /nfs/dbraw/zinc/38/95/33/536389533.db2.gz VLQIEHSJHKPCMA-WMLDXEAASA-N 2 0 296.455 2.524 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000459500013 536409679 /nfs/dbraw/zinc/40/96/79/536409679.db2.gz DFRHOZFOXWHHCI-AWEZNQCLSA-N 2 0 266.816 2.766 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1F ZINC000435381770 536516377 /nfs/dbraw/zinc/51/63/77/536516377.db2.gz XZEDRZJJYWOCKE-WOSRLPQWSA-N 2 0 294.414 2.682 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000754785406 574120507 /nfs/dbraw/zinc/12/05/07/574120507.db2.gz LDDCMNAKNUEMCI-HRCADAONSA-N 2 0 294.826 2.590 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)C2 ZINC000756037806 574205611 /nfs/dbraw/zinc/20/56/11/574205611.db2.gz UWHBRPBVDRDIEN-GOEBONIOSA-N 2 0 288.435 2.626 20 0 CFADRP c1cc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2[nH]1 ZINC000299895399 574208056 /nfs/dbraw/zinc/20/80/56/574208056.db2.gz VQVAROVVPDZSND-HOTGVXAUSA-N 2 0 269.392 2.884 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000730106769 574253246 /nfs/dbraw/zinc/25/32/46/574253246.db2.gz IPZLFHOQKKSRPY-HNNXBMFYSA-N 2 0 262.397 2.515 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000749349942 574290513 /nfs/dbraw/zinc/29/05/13/574290513.db2.gz DNKYDRYDDBXMDE-TUAOUCFPSA-N 2 0 279.255 2.842 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396443093 574292216 /nfs/dbraw/zinc/29/22/16/574292216.db2.gz BCPLZMUDDZFADZ-MAUKXSAKSA-N 2 0 290.451 2.868 20 0 CFADRP C(C[NH+]1CCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000741754173 574300901 /nfs/dbraw/zinc/30/09/01/574300901.db2.gz KNEUSCKGMOQYHN-UHFFFAOYSA-N 2 0 293.499 2.670 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CC[NH+](C)CC1 ZINC000396445384 574355093 /nfs/dbraw/zinc/35/50/93/574355093.db2.gz DHXQWACDBWPDKB-HNKHHVNMSA-N 2 0 280.456 2.510 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000743849210 574373774 /nfs/dbraw/zinc/37/37/74/574373774.db2.gz KRYFYKHKERTSSI-UHFFFAOYSA-N 2 0 275.440 2.526 20 0 CFADRP CC(C)CSCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925624688 618346217 /nfs/dbraw/zinc/34/62/17/618346217.db2.gz AJYDDVSFYIHGAI-OLZOCXBDSA-N 2 0 258.475 2.871 20 0 CFADRP C[C@H]([NH2+]CCSC(C)(C)C)C1CC[NH+](C)CC1 ZINC000089516527 624010882 /nfs/dbraw/zinc/01/08/82/624010882.db2.gz KCXLBVHHGIGXDK-LBPRGKRZSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(F)ccc1F ZINC000051693654 618049115 /nfs/dbraw/zinc/04/91/15/618049115.db2.gz XTXMQUPQGFFYET-GCVQQVDUSA-N 2 0 254.324 2.885 20 0 CFADRP C[C@@H]1Cc2cc(C[NH+]3CCC(C[NH+](C)C)CC3)ccc2O1 ZINC000891611882 617685857 /nfs/dbraw/zinc/68/58/57/617685857.db2.gz DVPCJVCXIZSYOR-CQSZACIVSA-N 2 0 288.435 2.784 20 0 CFADRP CC(C)Oc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933742281 617766636 /nfs/dbraw/zinc/76/66/36/617766636.db2.gz OXHHVQOWVUFDPJ-FUHWJXTLSA-N 2 0 288.435 2.857 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926253692 617779313 /nfs/dbraw/zinc/77/93/13/617779313.db2.gz UOXZHWGNRRHUOL-MELADBBJSA-N 2 0 264.413 2.822 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000104327886 617802074 /nfs/dbraw/zinc/80/20/74/617802074.db2.gz WXYSWTBTDJKTCO-YIONKMFJSA-N 2 0 262.372 2.849 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926305203 617856344 /nfs/dbraw/zinc/85/63/44/617856344.db2.gz ATYYKXUERXFGRX-VIKVFOODSA-N 2 0 250.430 2.885 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000234679195 617894189 /nfs/dbraw/zinc/89/41/89/617894189.db2.gz RAFSUYOJSMYEMT-LSDHHAIUSA-N 2 0 270.461 2.950 20 0 CFADRP Fc1ccccc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000121308163 617915028 /nfs/dbraw/zinc/91/50/28/617915028.db2.gz IEUMKDWHMNYONC-UHFFFAOYSA-N 2 0 285.366 2.585 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)o2)C[C@@H]1C ZINC000892102192 617949524 /nfs/dbraw/zinc/94/95/24/617949524.db2.gz CVTMBTHTIFOLMV-STQMWFEESA-N 2 0 266.385 2.593 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cn2ccnc2s1 ZINC000892114165 617958094 /nfs/dbraw/zinc/95/80/94/617958094.db2.gz MKYBANUFCSYFTO-ZDUSSCGKSA-N 2 0 292.452 2.702 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000892143582 617971141 /nfs/dbraw/zinc/97/11/41/617971141.db2.gz JQGHGVLVOGXGHD-ADKAHSJRSA-N 2 0 294.483 2.855 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000924047495 617995926 /nfs/dbraw/zinc/99/59/26/617995926.db2.gz FTRUQXIOYFNXMZ-AWEZNQCLSA-N 2 0 297.362 2.930 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3cnn(C4CCC4)c3)CC[C@H]21 ZINC000892225473 618013744 /nfs/dbraw/zinc/01/37/44/618013744.db2.gz BXRBLYFIWJRCDL-DOTOQJQBSA-N 2 0 288.439 2.524 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000051693205 618049018 /nfs/dbraw/zinc/04/90/18/618049018.db2.gz CZAPLAXSAWQQKO-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000051756275 618065271 /nfs/dbraw/zinc/06/52/71/618065271.db2.gz KGXUFVCFVJNMDQ-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP Cl/C=C\CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000255517834 618067042 /nfs/dbraw/zinc/06/70/42/618067042.db2.gz KLGQFRLCBZOMLT-HUUVSBTQSA-N 2 0 254.805 2.688 20 0 CFADRP CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000261633045 618120165 /nfs/dbraw/zinc/12/01/65/618120165.db2.gz BMXVLDCWONORAU-CVEARBPZSA-N 2 0 274.408 2.928 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119578 618125725 /nfs/dbraw/zinc/12/57/25/618125725.db2.gz MPESUTQBVFVJIR-AIANPOQGSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cnn(C2CCC2)c1 ZINC000926450877 618128041 /nfs/dbraw/zinc/12/80/41/618128041.db2.gz SRVHHCPJRFYTMR-DGCLKSJQSA-N 2 0 285.395 2.539 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)OC ZINC000926461001 618136507 /nfs/dbraw/zinc/13/65/07/618136507.db2.gz HSOYNQFQMYPOPQ-XJKSGUPXSA-N 2 0 264.413 2.824 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933252292 618176631 /nfs/dbraw/zinc/17/66/31/618176631.db2.gz VKUXTKGLKXLYME-QGZVFWFLSA-N 2 0 292.471 2.634 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926538927 618189460 /nfs/dbraw/zinc/18/94/60/618189460.db2.gz DWMNAPONGHCXNO-NIOBXDJOSA-N 2 0 268.445 2.531 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926551966 618197832 /nfs/dbraw/zinc/19/78/32/618197832.db2.gz XKMDBYYOOGSCOT-RRQGHBQHSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926553465 618199324 /nfs/dbraw/zinc/19/93/24/618199324.db2.gz SWVBEWCIEJYTDY-GUYCJALGSA-N 2 0 276.424 2.560 20 0 CFADRP C(C[NH2+]C1([C@@H]2CCCCO2)CC1)C[NH+]1CCCCC1 ZINC000933375398 618214900 /nfs/dbraw/zinc/21/49/00/618214900.db2.gz JWAXAAJNRXWKEH-HNNXBMFYSA-N 2 0 266.429 2.554 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1)[NH2+]2 ZINC000925571471 618251932 /nfs/dbraw/zinc/25/19/32/618251932.db2.gz IDSLBNMABWYDGG-JDLPWVQFSA-N 2 0 270.420 2.736 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000925586870 618272255 /nfs/dbraw/zinc/27/22/55/618272255.db2.gz UUISYYGMRBONIQ-ZIAGYGMSSA-N 2 0 280.387 2.700 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925587392 618272703 /nfs/dbraw/zinc/27/27/03/618272703.db2.gz YNLGLJNKJPMNQH-HZPDHXFCSA-N 2 0 274.408 2.542 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1(C2CC2)CC1 ZINC000925591232 618276962 /nfs/dbraw/zinc/27/69/62/618276962.db2.gz YWJBYDBEJJLWGJ-HZPDHXFCSA-N 2 0 262.441 2.935 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925605061 618293017 /nfs/dbraw/zinc/29/30/17/618293017.db2.gz DBMVGOJTSIIXRN-SWHYSGLUSA-N 2 0 279.428 2.891 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925606455 618293227 /nfs/dbraw/zinc/29/32/27/618293227.db2.gz NXTKSYWTMFRMJK-JHJVBQTASA-N 2 0 250.386 2.706 20 0 CFADRP COc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925605151 618293915 /nfs/dbraw/zinc/29/39/15/618293915.db2.gz CKNXMXOEKXQKRG-INIZCTEOSA-N 2 0 285.391 2.660 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)C1 ZINC000925608249 618304516 /nfs/dbraw/zinc/30/45/16/618304516.db2.gz UQABVXTVXIEPCK-JKSUJKDBSA-N 3 0 298.434 2.868 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925615145 618318407 /nfs/dbraw/zinc/31/84/07/618318407.db2.gz MBKKEZWKLBAFSE-MRXNPFEDSA-N 2 0 278.440 2.855 20 0 CFADRP CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924860630 618325709 /nfs/dbraw/zinc/32/57/09/618325709.db2.gz CVUHFUHBNKIJFE-WMLDXEAASA-N 2 0 278.440 2.806 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000925618490 618328296 /nfs/dbraw/zinc/32/82/96/618328296.db2.gz USLUVQIQCCJXPG-HOTGVXAUSA-N 2 0 274.408 2.712 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000261705728 618340298 /nfs/dbraw/zinc/34/02/98/618340298.db2.gz IWRDSUONJUUDJK-UHIISALHSA-N 2 0 284.350 2.937 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(OC)cn1 ZINC000893321454 618341368 /nfs/dbraw/zinc/34/13/68/618341368.db2.gz DJJFYGSXRFLVQN-AWEZNQCLSA-N 2 0 279.428 2.690 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)o1 ZINC000925623844 618344390 /nfs/dbraw/zinc/34/43/90/618344390.db2.gz UBGWAZDECUPRHF-NILFDRSVSA-N 2 0 262.397 2.769 20 0 CFADRP CC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)OC ZINC000895128229 618347296 /nfs/dbraw/zinc/34/72/96/618347296.db2.gz RVJJYDIBOMRKQU-CQSZACIVSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892479975 618353079 /nfs/dbraw/zinc/35/30/79/618353079.db2.gz WAEMIKWHFLOXKF-DGCLKSJQSA-N 2 0 289.261 2.622 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000926652086 618360400 /nfs/dbraw/zinc/36/04/00/618360400.db2.gz VPXZULYQZSTDKO-QZQCMHJZSA-N 2 0 274.811 2.621 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925632036 618360586 /nfs/dbraw/zinc/36/05/86/618360586.db2.gz ZCXZOUWWEWLVAA-INMHGKMJSA-N 2 0 294.414 2.529 20 0 CFADRP CCN(CC)[C@@H](CNC(=[NH2+])NC(C)C)c1ccccc1 ZINC000052040985 618369475 /nfs/dbraw/zinc/36/94/75/618369475.db2.gz BSRFFNQRFUTZHZ-HNNXBMFYSA-N 2 0 276.428 2.592 20 0 CFADRP C[C@@H](CNC(=[NH2+])NC1CCCCC1)C[NH+]1CCCCC1 ZINC000052047731 618371334 /nfs/dbraw/zinc/37/13/34/618371334.db2.gz JMJFEDZQZSRTAT-AWEZNQCLSA-N 2 0 280.460 2.555 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000926665523 618381314 /nfs/dbraw/zinc/38/13/14/618381314.db2.gz GOECPCICFMGPTP-LXZKKBNFSA-N 2 0 273.424 2.853 20 0 CFADRP C[NH+](C)CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894145665 618395856 /nfs/dbraw/zinc/39/58/56/618395856.db2.gz GBUYJWIFNPYGRL-UHFFFAOYSA-N 2 0 283.828 2.991 20 0 CFADRP C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925655505 618410950 /nfs/dbraw/zinc/41/09/50/618410950.db2.gz VOYODYCOEDZUBE-ZIAGYGMSSA-N 2 0 291.439 2.546 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925657174 618412311 /nfs/dbraw/zinc/41/23/11/618412311.db2.gz CNVQTUXYSJUBNB-OAGGEKHMSA-N 2 0 274.408 2.624 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000925657413 618414045 /nfs/dbraw/zinc/41/40/45/618414045.db2.gz SCWFBNSJOOINML-KJAHXBPPSA-N 2 0 280.456 2.510 20 0 CFADRP C[NH+]1CCC(C[N@H+](CC2CC2)CC2CCC2)CC1 ZINC000894185935 618431457 /nfs/dbraw/zinc/43/14/57/618431457.db2.gz UTMGYJILNJTFEW-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925668458 618435131 /nfs/dbraw/zinc/43/51/31/618435131.db2.gz HSGQCYUGQCBZST-RBSFLKMASA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000926697512 618444554 /nfs/dbraw/zinc/44/45/54/618444554.db2.gz JYKLFJSWRKAUGB-CQSZACIVSA-N 2 0 290.398 2.511 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000895206227 618470898 /nfs/dbraw/zinc/47/08/98/618470898.db2.gz VZFFVAXAUDGKEB-WOVMCDHWSA-N 2 0 275.440 2.710 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc(C[NH+](C)C)c1 ZINC000926715457 618475032 /nfs/dbraw/zinc/47/50/32/618475032.db2.gz TXYVMBXLKGCIBS-XKQJLSEDSA-N 2 0 288.435 2.702 20 0 CFADRP COCC[C@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925685056 618477477 /nfs/dbraw/zinc/47/74/77/618477477.db2.gz FDZYHFOVSBDFLW-HOCLYGCPSA-N 2 0 264.413 2.729 20 0 CFADRP C[C@H](CC[NH2+]Cc1cccc2ncccc12)[NH+](C)C ZINC000895290096 618512618 /nfs/dbraw/zinc/51/26/18/618512618.db2.gz CSPMZBXVEPHCGZ-CYBMUJFWSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@@H](CC[NH2+]Cc1cccc2ncccc12)[NH+](C)C ZINC000895290098 618512761 /nfs/dbraw/zinc/51/27/61/618512761.db2.gz CSPMZBXVEPHCGZ-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@H](CC[NH2+]CC(C)(C)Oc1ccccc1)[NH+](C)C ZINC000895294635 618514044 /nfs/dbraw/zinc/51/40/44/618514044.db2.gz YHEQCKCIOOIHJJ-CQSZACIVSA-N 2 0 264.413 2.774 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294545 618514071 /nfs/dbraw/zinc/51/40/71/618514071.db2.gz QSIHPCCGHXWWOU-QWHCGFSZSA-N 2 0 254.443 2.999 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000895292534 618514886 /nfs/dbraw/zinc/51/48/86/618514886.db2.gz DCNDWCNQGOVXCE-CABCVRRESA-N 2 0 291.439 2.642 20 0 CFADRP C[C@@H](CC[NH2+]CCc1cccc(Cl)c1)[NH+](C)C ZINC000895293880 618516266 /nfs/dbraw/zinc/51/62/66/618516266.db2.gz SHMJYLJYIKFCAP-LBPRGKRZSA-N 2 0 254.805 2.812 20 0 CFADRP COc1ccc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895378633 618557828 /nfs/dbraw/zinc/55/78/28/618557828.db2.gz RFPZXGKCCOMPEC-ZBFHGGJFSA-N 2 0 291.439 2.642 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccn1C ZINC000895375730 618558455 /nfs/dbraw/zinc/55/84/55/618558455.db2.gz DGTUNVNYLOGQLN-GDBMZVCRSA-N 2 0 263.429 2.577 20 0 CFADRP C=Cn1cc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895380752 618559595 /nfs/dbraw/zinc/55/95/95/618559595.db2.gz QAMDUDRHAHHNQQ-GOEBONIOSA-N 2 0 276.428 2.536 20 0 CFADRP CCCn1nccc1CN1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895381766 618559837 /nfs/dbraw/zinc/55/98/37/618559837.db2.gz WKJSDMZSEBVHDD-DOTOQJQBSA-N 2 0 292.471 2.845 20 0 CFADRP Cc1ncoc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000895445818 618590872 /nfs/dbraw/zinc/59/08/72/618590872.db2.gz IOJZBAVUJNUTQL-UHFFFAOYSA-N 2 0 265.401 2.583 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000924572455 618620812 /nfs/dbraw/zinc/62/08/12/618620812.db2.gz KRHNLDDREDLVHY-KBPBESRZSA-N 2 0 277.412 2.702 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(C)(O)CC1 ZINC000892584294 618642799 /nfs/dbraw/zinc/64/27/99/618642799.db2.gz IGQNEBHTLRAUOB-KLAILNCOSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nccn1C1CC1 ZINC000892584297 618642850 /nfs/dbraw/zinc/64/28/50/618642850.db2.gz IMULCWRTLGDWNL-OAHLLOKOSA-N 2 0 290.455 2.962 20 0 CFADRP CCc1nnc(CNCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000892585916 618643358 /nfs/dbraw/zinc/64/33/58/618643358.db2.gz YWHANNADOHCMTO-ZDUSSCGKSA-N 2 0 296.484 2.702 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924578694 618654504 /nfs/dbraw/zinc/65/45/04/618654504.db2.gz QHXAPNMMYGVJJQ-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924579600 618658842 /nfs/dbraw/zinc/65/88/42/618658842.db2.gz YSGWJWMBODPNCI-SJORKVTESA-N 2 0 282.472 2.783 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000892667740 618685689 /nfs/dbraw/zinc/68/56/89/618685689.db2.gz ACVXAMOBLQTZSI-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892676065 618697396 /nfs/dbraw/zinc/69/73/96/618697396.db2.gz WRLMWTGFXIRUGA-ZEFZYRMCSA-N 2 0 293.499 2.568 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000892679233 618701565 /nfs/dbraw/zinc/70/15/65/618701565.db2.gz MDDIYWABASLJOL-AWEZNQCLSA-N 2 0 295.386 2.694 20 0 CFADRP CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926816821 618712412 /nfs/dbraw/zinc/71/24/12/618712412.db2.gz PCVBVZAJKXMALX-CKEIUWERSA-N 2 0 278.440 2.948 20 0 CFADRP CC[NH+](CC)[C@@H]1CCN(c2cc(C)nc(C3CCC3)n2)C1 ZINC000892730981 618734548 /nfs/dbraw/zinc/73/45/48/618734548.db2.gz ULHKEJURRLACOZ-OAHLLOKOSA-N 2 0 288.439 2.973 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892739665 618737795 /nfs/dbraw/zinc/73/77/95/618737795.db2.gz GLGHMCYJVWRZGK-UHFFFAOYSA-N 2 0 295.374 2.679 20 0 CFADRP CC1(O)CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000892882015 618763045 /nfs/dbraw/zinc/76/30/45/618763045.db2.gz HAWNDSHHYLGIEI-UHFFFAOYSA-N 2 0 282.472 2.926 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCCCC(C)C)CC1 ZINC000892928750 618771700 /nfs/dbraw/zinc/77/17/00/618771700.db2.gz OBHDLLCMAUQLBH-QGZVFWFLSA-N 2 0 283.504 2.676 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000892938727 618774222 /nfs/dbraw/zinc/77/42/22/618774222.db2.gz IJVUJKDTZXWMOL-UHFFFAOYSA-N 2 0 292.471 2.902 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000926876655 618779929 /nfs/dbraw/zinc/77/99/29/618779929.db2.gz BGWKRFWGXGCUSJ-ZSGMNJJHSA-N 2 0 280.481 2.590 20 0 CFADRP CC[NH+](CC)[C@@H](C)CNC1CC[NH+](CCC(C)C)CC1 ZINC000924617663 618800167 /nfs/dbraw/zinc/80/01/67/618800167.db2.gz QLGNNIBMYFITPM-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)CCCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000893010865 618803028 /nfs/dbraw/zinc/80/30/28/618803028.db2.gz JJLSICXTQNGSMZ-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523881 618805918 /nfs/dbraw/zinc/80/59/18/618805918.db2.gz GBVNEXZACDMUDJ-MGNMYUMUSA-N 3 0 281.488 2.712 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000893042299 618812235 /nfs/dbraw/zinc/81/22/35/618812235.db2.gz QCPHQMGHAAUCJU-GOSISDBHSA-N 2 0 298.434 2.556 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000893065745 618818937 /nfs/dbraw/zinc/81/89/37/618818937.db2.gz BBUSMPJTOWPCJN-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000893077748 618823129 /nfs/dbraw/zinc/82/31/29/618823129.db2.gz KLIZEHSYCLZRQN-MRXNPFEDSA-N 2 0 296.842 2.959 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925510175 618846628 /nfs/dbraw/zinc/84/66/28/618846628.db2.gz UCARIMVCWUFOCO-FVQBIDKESA-N 2 0 258.409 2.958 20 0 CFADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925511702 618850254 /nfs/dbraw/zinc/85/02/54/618850254.db2.gz RSYGUUCBRULHCJ-MSOLQXFVSA-N 2 0 293.499 2.619 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925515866 618854713 /nfs/dbraw/zinc/85/47/13/618854713.db2.gz JNIQOXKOYNJGGI-HZPDHXFCSA-N 3 0 281.488 2.604 20 0 CFADRP C[C@H](OCCC[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925520737 618858866 /nfs/dbraw/zinc/85/88/66/618858866.db2.gz SLKKWKRDCMPKKL-HOCLYGCPSA-N 2 0 276.424 2.884 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000893169702 618861691 /nfs/dbraw/zinc/86/16/91/618861691.db2.gz UBCQGRYTSOWSOE-INIZCTEOSA-N 2 0 296.842 2.959 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925523844 618866304 /nfs/dbraw/zinc/86/63/04/618866304.db2.gz VLQHLAPLHBNYSA-ZBFHGGJFSA-N 2 0 258.409 2.973 20 0 CFADRP c1cc2c(s1)CCO[C@@H]2CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925524169 618867482 /nfs/dbraw/zinc/86/74/82/618867482.db2.gz QVIFFYSDZDWTNW-HIFRSBDPSA-N 2 0 292.448 2.626 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000925525852 618870767 /nfs/dbraw/zinc/87/07/67/618870767.db2.gz JQDXMMZUKGYPRK-DOTOQJQBSA-N 2 0 275.440 2.541 20 0 CFADRP CC(=O)OC[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000893187115 618872501 /nfs/dbraw/zinc/87/25/01/618872501.db2.gz LHMYFCZLHJGNBM-OOHWJJMZSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925527863 618877389 /nfs/dbraw/zinc/87/73/89/618877389.db2.gz ADGDVEZGEMTBMH-GJZGRUSLSA-N 2 0 295.858 2.673 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925536189 618890587 /nfs/dbraw/zinc/89/05/87/618890587.db2.gz CBXAVJULZSCALS-JKSUJKDBSA-N 2 0 274.408 2.583 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1(C)C ZINC000925539584 618897019 /nfs/dbraw/zinc/89/70/19/618897019.db2.gz CIIFXWUGJGPECW-YHUYYLMFSA-N 2 0 280.456 2.558 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000893251703 618907094 /nfs/dbraw/zinc/90/70/94/618907094.db2.gz RIULMUNVLXLVOA-OAHLLOKOSA-N 2 0 290.451 2.805 20 0 CFADRP C[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000925547157 618907383 /nfs/dbraw/zinc/90/73/83/618907383.db2.gz SXXNWHVIIUWYOH-ALYAQQCSSA-N 2 0 293.499 2.616 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925550023 618911412 /nfs/dbraw/zinc/91/14/12/618911412.db2.gz KFEYNBCEOVHTQB-YQQAZPJKSA-N 2 0 275.440 2.539 20 0 CFADRP CCN(CC[NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925556620 618921576 /nfs/dbraw/zinc/92/15/76/618921576.db2.gz KZDPWNXLPROKJN-QGZVFWFLSA-N 2 0 277.456 2.787 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C12CCC2 ZINC000925561506 618925735 /nfs/dbraw/zinc/92/57/35/618925735.db2.gz JYWITTXPCSCMCO-LSDHHAIUSA-N 2 0 274.383 2.717 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cs1 ZINC000925564676 618929221 /nfs/dbraw/zinc/92/92/21/618929221.db2.gz KFJWGELDFJEPGH-VHDGCEQUSA-N 2 0 293.480 2.614 20 0 CFADRP COc1cccnc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925687985 618931754 /nfs/dbraw/zinc/93/17/54/618931754.db2.gz AWPTUMDVQUDRNI-HNNXBMFYSA-N 2 0 285.391 2.660 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000194175318 618932422 /nfs/dbraw/zinc/93/24/22/618932422.db2.gz DNAAJVQOFHFPTC-OAHLLOKOSA-N 2 0 254.418 2.781 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194608086 618938789 /nfs/dbraw/zinc/93/87/89/618938789.db2.gz URFKUKLSBDNYAR-UXLLHSPISA-N 2 0 278.440 2.922 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925694516 618941334 /nfs/dbraw/zinc/94/13/34/618941334.db2.gz UFFUTDTUJVLJGV-HNNXBMFYSA-N 2 0 278.440 2.853 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1(O)CCCC1 ZINC000925695926 618947708 /nfs/dbraw/zinc/94/77/08/618947708.db2.gz YMSDAPUPSCTJEK-ZIAGYGMSSA-N 2 0 282.472 2.813 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925696246 618948174 /nfs/dbraw/zinc/94/81/74/618948174.db2.gz YMTCWJBBVQBZDX-XYPHTWIQSA-N 2 0 275.440 2.540 20 0 CFADRP CCCC[C@H](CN)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925699110 618952285 /nfs/dbraw/zinc/95/22/85/618952285.db2.gz MYXYEUWPBFQHKP-HZPDHXFCSA-N 2 0 263.429 2.574 20 0 CFADRP CCCC[C@@H](CN)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925699109 618952306 /nfs/dbraw/zinc/95/23/06/618952306.db2.gz MYXYEUWPBFQHKP-HOTGVXAUSA-N 2 0 263.429 2.574 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000925699467 618952415 /nfs/dbraw/zinc/95/24/15/618952415.db2.gz PBYKPLQHQCRNMD-GDBMZVCRSA-N 2 0 281.488 2.794 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925700550 618953166 /nfs/dbraw/zinc/95/31/66/618953166.db2.gz UGAUCZXWAJCMFL-VZEFYGNVSA-N 3 0 287.451 2.573 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925704344 618958162 /nfs/dbraw/zinc/95/81/62/618958162.db2.gz GJIMEGQPPLJCFM-ZNMIVQPWSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1ccccc1C1([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925706353 618961079 /nfs/dbraw/zinc/96/10/79/618961079.db2.gz NPBJXMZOTJVAHO-HUUCEWRRSA-N 2 0 256.393 2.844 20 0 CFADRP C[C@@H]1NCCC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000925709394 618963380 /nfs/dbraw/zinc/96/33/80/618963380.db2.gz UEZXVMCLPJTLGB-XJKSGUPXSA-N 2 0 269.392 2.507 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710737 618964568 /nfs/dbraw/zinc/96/45/68/618964568.db2.gz QQTUZACZSWDFQW-UGYDUONOSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925713014 618967529 /nfs/dbraw/zinc/96/75/29/618967529.db2.gz RJDFWGRSRNCHLM-PMOUVXMZSA-N 2 0 268.470 2.638 20 0 CFADRP COc1cccc(C2([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)CCC2)c1 ZINC000925716388 618974035 /nfs/dbraw/zinc/97/40/35/618974035.db2.gz PQJZSIXTUMVWMV-CVEARBPZSA-N 2 0 286.419 2.934 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)C1([C@H]2CCCCO2)CCC1 ZINC000925722262 618983772 /nfs/dbraw/zinc/98/37/72/618983772.db2.gz KIYKTRWJBYSFEP-HZPDHXFCSA-N 2 0 292.467 2.990 20 0 CFADRP CCC[C@H](CCO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925723561 618992959 /nfs/dbraw/zinc/99/29/59/618992959.db2.gz BJSDDFGOCSRDMW-HZPDHXFCSA-N 2 0 264.413 2.607 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257744466 618996392 /nfs/dbraw/zinc/99/63/92/618996392.db2.gz ZLPGXQDNBAZWOG-UHFFFAOYSA-N 2 0 264.800 2.916 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000093450741 619024309 /nfs/dbraw/zinc/02/43/09/619024309.db2.gz GOIWEAVWGOXRRE-BBWFWOEESA-N 2 0 281.488 2.616 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2(C)CCC(F)(F)CC2)CC1 ZINC000893514641 619030372 /nfs/dbraw/zinc/03/03/72/619030372.db2.gz CVFAEFXLCHQZLA-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@@H](N)[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000925736172 619045669 /nfs/dbraw/zinc/04/56/69/619045669.db2.gz ZPLZGLPZLJWUAD-CCGTUFIJSA-N 2 0 289.467 2.927 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925738148 619048409 /nfs/dbraw/zinc/04/84/09/619048409.db2.gz VZHWGAIKQZVVJF-CVEARBPZSA-N 2 0 274.408 2.932 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000925742198 619051650 /nfs/dbraw/zinc/05/16/50/619051650.db2.gz QCRLAIPVPKUOPE-CYBMUJFWSA-N 2 0 254.324 2.669 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093861209 619062947 /nfs/dbraw/zinc/06/29/47/619062947.db2.gz NVANGUHZEAIMCB-JTQLQIEISA-N 2 0 256.340 2.943 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)CCc2ccco2)CC1 ZINC000925760242 619069715 /nfs/dbraw/zinc/06/97/15/619069715.db2.gz VVZLLARGFBPFTD-ZDUSSCGKSA-N 2 0 250.386 2.804 20 0 CFADRP C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000893572526 619075902 /nfs/dbraw/zinc/07/59/02/619075902.db2.gz RPXIPPJURBZQOQ-YOEHRIQHSA-N 2 0 273.424 2.806 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925773309 619089989 /nfs/dbraw/zinc/08/99/89/619089989.db2.gz CKPCUQHUKSPFGL-MGPQQGTHSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925774400 619091713 /nfs/dbraw/zinc/09/17/13/619091713.db2.gz NDYSLYMCHJKGHE-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925779743 619101952 /nfs/dbraw/zinc/10/19/52/619101952.db2.gz ZLPUZFMBUXODDE-OLZOCXBDSA-N 2 0 260.372 2.790 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC)cc1 ZINC000925780455 619102124 /nfs/dbraw/zinc/10/21/24/619102124.db2.gz SMXPHZFEMYKALK-UKRRQHHQSA-N 2 0 298.377 2.981 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925782378 619104668 /nfs/dbraw/zinc/10/46/68/619104668.db2.gz LMCMWWZHRBHPRG-FRRDWIJNSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000925783079 619105919 /nfs/dbraw/zinc/10/59/19/619105919.db2.gz BTFRWZDNRXIGRG-FFSVYQOJSA-N 2 0 262.372 2.648 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925783293 619107170 /nfs/dbraw/zinc/10/71/70/619107170.db2.gz FBXPDLKRCXHAEJ-YCPHGPKFSA-N 2 0 261.413 2.614 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925796102 619118827 /nfs/dbraw/zinc/11/88/27/619118827.db2.gz AAQDYHJHMKQSDA-RAIGVLPGSA-N 2 0 252.427 2.953 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000925796609 619119212 /nfs/dbraw/zinc/11/92/12/619119212.db2.gz KWVBHUOBVPJIFA-XYPHTWIQSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000925802028 619122637 /nfs/dbraw/zinc/12/26/37/619122637.db2.gz CPBGOKGCNCAHCH-OLMNPRSZSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925803522 619123670 /nfs/dbraw/zinc/12/36/70/619123670.db2.gz ZLDWNRNSKWPCFN-LUGNKYPNSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nccc3c2CCCC3)C1 ZINC000925806906 619127358 /nfs/dbraw/zinc/12/73/58/619127358.db2.gz SBAQEOBXRYWOAO-LSDHHAIUSA-N 2 0 287.451 2.956 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925807454 619127761 /nfs/dbraw/zinc/12/77/61/619127761.db2.gz AYCXBZZYLLIQPV-WBMJQRKESA-N 2 0 285.391 2.548 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc3ncccc3c2)C1 ZINC000925815759 619134350 /nfs/dbraw/zinc/13/43/50/619134350.db2.gz ZITVVVCRYSJACA-CVEARBPZSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000925823535 619143976 /nfs/dbraw/zinc/14/39/76/619143976.db2.gz OFDAACQUMJKGGS-KZYLPZIUSA-N 3 0 279.472 2.514 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925822942 619144155 /nfs/dbraw/zinc/14/41/55/619144155.db2.gz MNBJWSRGELYRTK-LCOJOVDMSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@H]1CCCC[NH2+]1 ZINC000925827633 619157544 /nfs/dbraw/zinc/15/75/44/619157544.db2.gz AIIVDZXDQWOWAH-WUHRBBMRSA-N 2 0 294.361 2.607 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925836030 619167056 /nfs/dbraw/zinc/16/70/56/619167056.db2.gz ZKOBOEIOSATLPK-QNWHQSFQSA-N 2 0 294.361 2.736 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000094750491 619167886 /nfs/dbraw/zinc/16/78/86/619167886.db2.gz PHFJEHCFVPXGFS-CVEARBPZSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925837984 619169242 /nfs/dbraw/zinc/16/92/42/619169242.db2.gz JYRNJFGPAFILHT-NMFUWQPSSA-N 2 0 280.362 2.765 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCSC1 ZINC000261561073 619170742 /nfs/dbraw/zinc/17/07/42/619170742.db2.gz UZXCTTGWCPBHOD-MGPQQGTHSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccsc1 ZINC000261570345 619171530 /nfs/dbraw/zinc/17/15/30/619171530.db2.gz OQUKINDPMJDGNT-SNPRPXQTSA-N 2 0 282.453 2.682 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261568727 619172019 /nfs/dbraw/zinc/17/20/19/619172019.db2.gz LCLKXGFDRBRKAC-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000925839921 619173455 /nfs/dbraw/zinc/17/34/55/619173455.db2.gz SMWCDZLXXBUFHM-RCCFBDPRSA-N 3 0 287.451 2.588 20 0 CFADRP COCC(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261584711 619173473 /nfs/dbraw/zinc/17/34/73/619173473.db2.gz SNXBFTJCKHTRKP-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000261593004 619173840 /nfs/dbraw/zinc/17/38/40/619173840.db2.gz MSFTZCFEXRYYQQ-LSDHHAIUSA-N 2 0 260.381 2.538 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)C1 ZINC000925854288 619184336 /nfs/dbraw/zinc/18/43/36/619184336.db2.gz AALZKTRZRLPTTD-AGIUHOORSA-N 2 0 254.443 2.664 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSC3(CCC3)C2)C1 ZINC000925854357 619184502 /nfs/dbraw/zinc/18/45/02/619184502.db2.gz AALZKTRZRLPTTD-JHJVBQTASA-N 2 0 254.443 2.664 20 0 CFADRP CCC[C@H](O)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925859820 619187247 /nfs/dbraw/zinc/18/72/47/619187247.db2.gz SKBTUYTXBBJICB-JKSUJKDBSA-N 2 0 264.413 2.607 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925861434 619188042 /nfs/dbraw/zinc/18/80/42/619188042.db2.gz PSPPIKRWDZNPMT-MCIONIFRSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000925862276 619188383 /nfs/dbraw/zinc/18/83/83/619188383.db2.gz ZMUMFRMADHEMJO-FRRDWIJNSA-N 2 0 254.443 2.535 20 0 CFADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261657299 619189278 /nfs/dbraw/zinc/18/92/78/619189278.db2.gz WJXVHSKWCZXSFS-GVDBMIGSSA-N 2 0 281.488 2.619 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000235120815 619189642 /nfs/dbraw/zinc/18/96/42/619189642.db2.gz LXDKAOTUSWJWJJ-STQMWFEESA-N 2 0 256.459 2.769 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925871968 619193161 /nfs/dbraw/zinc/19/31/61/619193161.db2.gz MLYFGIBLYNSSNY-YLFCFFPRSA-N 2 0 285.435 2.969 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000925872963 619193276 /nfs/dbraw/zinc/19/32/76/619193276.db2.gz CCQVTMQJLLRHDR-LUKYLMHMSA-N 2 0 282.472 2.805 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C(C)C ZINC000925874554 619195359 /nfs/dbraw/zinc/19/53/59/619195359.db2.gz SZFABINTFOVGEX-YESZJQIVSA-N 2 0 282.472 2.663 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000925875781 619196560 /nfs/dbraw/zinc/19/65/60/619196560.db2.gz NJXNBQQRJHTRFW-DFGXFYAUSA-N 3 0 293.499 2.747 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)c(F)c(F)c1 ZINC000925877329 619197251 /nfs/dbraw/zinc/19/72/51/619197251.db2.gz ORURMISOCVWQAB-KKZNHRDASA-N 2 0 272.314 2.882 20 0 CFADRP Cc1ccc(NCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)nc1 ZINC000925877842 619197295 /nfs/dbraw/zinc/19/72/95/619197295.db2.gz MMUOAZZCIRVMGS-JKSUJKDBSA-N 2 0 282.391 2.536 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000925880356 619200380 /nfs/dbraw/zinc/20/03/80/619200380.db2.gz PUTWVBRSUHDLOK-NWANDNLSSA-N 2 0 276.428 2.748 20 0 CFADRP CCSc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccn1 ZINC000893717687 619200938 /nfs/dbraw/zinc/20/09/38/619200938.db2.gz WYYFJTJTJPKHAP-UHFFFAOYSA-N 2 0 279.453 2.625 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925881512 619202281 /nfs/dbraw/zinc/20/22/81/619202281.db2.gz CDRGUTMBDXFSPM-QPSCCSFWSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)s1 ZINC000925882637 619202301 /nfs/dbraw/zinc/20/23/01/619202301.db2.gz OMQDZGUCRXUHEA-AXTRIDKLSA-N 2 0 253.415 2.538 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000925883014 619202790 /nfs/dbraw/zinc/20/27/90/619202790.db2.gz REKIJASQCOGVPE-NJZAAPMLSA-N 2 0 278.371 2.756 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000261681915 619207895 /nfs/dbraw/zinc/20/78/95/619207895.db2.gz AIXALWGSWMSCHZ-UHFFFAOYSA-N 2 0 293.480 2.917 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925894272 619208252 /nfs/dbraw/zinc/20/82/52/619208252.db2.gz VWPQGIXUDWAYJU-OAGGEKHMSA-N 2 0 280.456 2.989 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(Cl)nc1 ZINC000843340739 619211445 /nfs/dbraw/zinc/21/14/45/619211445.db2.gz DPJPICWEBLPMJM-LLVKDONJSA-N 2 0 255.793 2.905 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000894242112 619277719 /nfs/dbraw/zinc/27/77/19/619277719.db2.gz SNDDRFGZGYFXOE-INIZCTEOSA-N 2 0 276.424 2.653 20 0 CFADRP CO[C@@H](C)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924910659 619277828 /nfs/dbraw/zinc/27/78/28/619277828.db2.gz VKMMVPXFIUQARR-UONOGXRCSA-N 2 0 264.413 2.824 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C2(Br)CC2)CC1 ZINC000924954249 619300340 /nfs/dbraw/zinc/30/03/40/619300340.db2.gz IFHUTVPSFHBCTR-NSHDSACASA-N 2 0 289.261 2.624 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)CO)c1 ZINC000924958381 619302987 /nfs/dbraw/zinc/30/29/87/619302987.db2.gz JRLJAGDJOWCFSE-CQSZACIVSA-N 2 0 278.440 2.635 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000924961852 619305109 /nfs/dbraw/zinc/30/51/09/619305109.db2.gz ZAMUBVIMFGWCME-SJORKVTESA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000924961846 619305162 /nfs/dbraw/zinc/30/51/62/619305162.db2.gz ZAMUBVIMFGWCME-DLBZAZTESA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924995048 619322932 /nfs/dbraw/zinc/32/29/32/619322932.db2.gz ZUTXURUFOORSPV-CJNGLKHVSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925008147 619329604 /nfs/dbraw/zinc/32/96/04/619329604.db2.gz BYVKLLTVMODWAX-LSDHHAIUSA-N 2 0 290.451 2.906 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000925013244 619333116 /nfs/dbraw/zinc/33/31/16/619333116.db2.gz ZTJKOCQKLBIIBY-SOLBZPMBSA-N 2 0 287.451 2.724 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCSCc2ccccc2)C1 ZINC000261949804 619345755 /nfs/dbraw/zinc/34/57/55/619345755.db2.gz NVPIQTLCBPOYMT-HNNXBMFYSA-N 2 0 264.438 2.591 20 0 CFADRP CCC[C@](C)(O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925047153 619357418 /nfs/dbraw/zinc/35/74/18/619357418.db2.gz VMBCDPOYYKOFEX-INIZCTEOSA-N 2 0 270.461 2.638 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000894385854 619362209 /nfs/dbraw/zinc/36/22/09/619362209.db2.gz VUQGWYBUBWSJSJ-QGZVFWFLSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)CCCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460085 619391751 /nfs/dbraw/zinc/39/17/51/619391751.db2.gz RYFGODJYXQGTDP-SFHVURJKSA-N 2 0 295.515 2.913 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCc2ccc(F)c(F)c2)C1 ZINC000894496347 619403233 /nfs/dbraw/zinc/40/32/33/619403233.db2.gz PBLBUQUQCCBCQC-RHSMWYFYSA-N 2 0 294.389 2.923 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000925075122 619408523 /nfs/dbraw/zinc/40/85/23/619408523.db2.gz OTNVGHMFZMDSPS-LAQFHYBYSA-N 2 0 294.414 2.648 20 0 CFADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000894535549 619412723 /nfs/dbraw/zinc/41/27/23/619412723.db2.gz KSNCKDQLVUTQFC-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000894591417 619423168 /nfs/dbraw/zinc/42/31/68/619423168.db2.gz DWGUHQWYUWPXLI-LRDDRELGSA-N 2 0 294.464 2.682 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894667297 619438590 /nfs/dbraw/zinc/43/85/90/619438590.db2.gz HYRIJPKMJQASLD-XFYFCPPXSA-N 2 0 293.499 2.712 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)CC1 ZINC000894741628 619455753 /nfs/dbraw/zinc/45/57/53/619455753.db2.gz HXQMCIXIPJWHSW-GFCCVEGCSA-N 2 0 279.255 2.892 20 0 CFADRP Nc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)c(Cl)c[nH+]1 ZINC000894767885 619458970 /nfs/dbraw/zinc/45/89/70/619458970.db2.gz ALVPRPYVJJQDCS-LLVKDONJSA-N 2 0 280.803 2.746 20 0 CFADRP COC1CCC(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000894861588 619488230 /nfs/dbraw/zinc/48/82/30/619488230.db2.gz WBGXEWPMKRSJRF-HWOWSKLDSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(F)ncc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000895472320 619540030 /nfs/dbraw/zinc/54/00/30/619540030.db2.gz HGDNSJBZIIXURO-UHFFFAOYSA-N 2 0 291.414 2.741 20 0 CFADRP Cc1ccoc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556514 619554782 /nfs/dbraw/zinc/55/47/82/619554782.db2.gz JIGKHADPSKTBCC-CQSZACIVSA-N 2 0 271.364 2.694 20 0 CFADRP CC1(O)CCC([NH2+][C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000896034822 619657610 /nfs/dbraw/zinc/65/76/10/619657610.db2.gz HHDUNJBXPCQVGF-LXPRWKDFSA-N 2 0 299.418 2.908 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)CC1 ZINC000896227056 619696828 /nfs/dbraw/zinc/69/68/28/619696828.db2.gz KMGVESNEWVEFQC-ZWKOTPCHSA-N 2 0 270.420 2.602 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000896400703 619729827 /nfs/dbraw/zinc/72/98/27/619729827.db2.gz FLPKBQNHJATJTM-VDNDLQMASA-N 2 0 271.408 2.685 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000054243989 619866426 /nfs/dbraw/zinc/86/64/26/619866426.db2.gz RYDRRLUSPCRNAC-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000925225024 620039299 /nfs/dbraw/zinc/03/92/99/620039299.db2.gz LSEZEHPGHSUKTN-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)OC1 ZINC000897476762 620182793 /nfs/dbraw/zinc/18/27/93/620182793.db2.gz XBHVYOKCAQZWGM-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841004772 620211871 /nfs/dbraw/zinc/21/18/71/620211871.db2.gz QDPGHPCGYSTDRO-RYUDHWBXSA-N 2 0 267.804 2.555 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841006194 620212464 /nfs/dbraw/zinc/21/24/64/620212464.db2.gz CKTBOSARXQWLPK-HOTGVXAUSA-N 2 0 298.434 2.692 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC(C)(C)C2)[C@H](C)C1 ZINC000897795029 620286244 /nfs/dbraw/zinc/28/62/44/620286244.db2.gz LUBNKYLONCOTRS-RDBSUJKOSA-N 2 0 270.486 2.981 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)CC1(C)C ZINC000898047143 620320519 /nfs/dbraw/zinc/32/05/19/620320519.db2.gz SDNSIWGBGYRLEK-KGLIPLIRSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000898013676 620322731 /nfs/dbraw/zinc/32/27/31/620322731.db2.gz FJFVDMMFSVRPCT-JHJVBQTASA-N 2 0 260.372 2.884 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCN1CCC(C)(C)C1 ZINC000898033919 620326889 /nfs/dbraw/zinc/32/68/89/620326889.db2.gz DDIMRYYIEDOBJC-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCN1c1ccccc1 ZINC000898067134 620330828 /nfs/dbraw/zinc/33/08/28/620330828.db2.gz ARONILJCKMVXQO-INIZCTEOSA-N 2 0 287.451 2.539 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898322988 620366270 /nfs/dbraw/zinc/36/62/70/620366270.db2.gz VVFBCQNZAQDQAN-KRWDZBQOSA-N 2 0 273.424 2.995 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000898347750 620374039 /nfs/dbraw/zinc/37/40/39/620374039.db2.gz VJCNJFCXUDSISV-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322847262 620393081 /nfs/dbraw/zinc/39/30/81/620393081.db2.gz NNEFWASXDVWJGB-RJCAOGMDSA-N 2 0 276.399 2.972 20 0 CFADRP CCON1CCC([NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC000323085047 620402389 /nfs/dbraw/zinc/40/23/89/620402389.db2.gz VTELRZWFYYGQSX-UHFFFAOYSA-N 2 0 297.487 2.647 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000866470344 620407763 /nfs/dbraw/zinc/40/77/63/620407763.db2.gz WEGBCBNQZIDLOL-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000926913104 620419393 /nfs/dbraw/zinc/41/93/93/620419393.db2.gz BQULREBDNZRMRV-OLZOCXBDSA-N 2 0 294.361 2.560 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770160 620420003 /nfs/dbraw/zinc/42/00/03/620420003.db2.gz DFSJXOAEEHGKJV-SJORKVTESA-N 2 0 283.504 2.673 20 0 CFADRP Clc1ccnc2c1CC[C@@H]2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924645799 620431416 /nfs/dbraw/zinc/43/14/16/620431416.db2.gz AHNZDVSJIPNVFI-ABAIWWIYSA-N 2 0 291.826 2.796 20 0 CFADRP C[C@@H]1CCCCN1CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924675227 620438330 /nfs/dbraw/zinc/43/83/30/620438330.db2.gz MLKAPFGXDUBYKV-PVAVHDDUSA-N 2 0 280.456 2.656 20 0 CFADRP CSC1CC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000924683740 620440207 /nfs/dbraw/zinc/44/02/07/620440207.db2.gz BFSXZCPXDOKLTI-NFOMZHRRSA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924698299 620444894 /nfs/dbraw/zinc/44/48/94/620444894.db2.gz YFJIOJXJIJTMDF-KLHDSHLOSA-N 2 0 268.445 2.533 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000924721290 620453857 /nfs/dbraw/zinc/45/38/57/620453857.db2.gz MVWOJAVEZCQAAY-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000924736387 620484945 /nfs/dbraw/zinc/48/49/45/620484945.db2.gz XLLLRWZXPONELK-OKZBNKHCSA-N 2 0 288.435 2.635 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2(Br)CC2)C1 ZINC000924750127 620521536 /nfs/dbraw/zinc/52/15/36/620521536.db2.gz CSMQURORIXLJEZ-VXGBXAGGSA-N 2 0 289.261 2.624 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnn(C)c2C[NH3+])c1 ZINC000899321835 620543166 /nfs/dbraw/zinc/54/31/66/620543166.db2.gz ADXMMFCPIZPKQM-CYBMUJFWSA-N 2 0 284.407 2.530 20 0 CFADRP C[NH+](C)Cc1ccc(F)c(-c2ccc3c(c2)C[C@@H]([NH3+])C3)c1 ZINC000899323780 620543798 /nfs/dbraw/zinc/54/37/98/620543798.db2.gz IOPNOIWWZILPMB-INIZCTEOSA-N 2 0 284.378 2.980 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2NC)C1 ZINC000902093766 620977357 /nfs/dbraw/zinc/97/73/57/620977357.db2.gz YMVNSAAWTFYZBM-AWEZNQCLSA-N 2 0 261.413 2.550 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317748 621023193 /nfs/dbraw/zinc/02/31/93/621023193.db2.gz FSIZBHGAZSMNRT-HOTGVXAUSA-N 3 0 283.504 2.865 20 0 CFADRP [NH3+]CCCC[C@H]([NH2+]C1CC1)c1ccc(F)cc1F ZINC000902319434 621023312 /nfs/dbraw/zinc/02/33/12/621023312.db2.gz LIPUYSAJJMUHSH-AWEZNQCLSA-N 2 0 254.324 2.887 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349655 621035772 /nfs/dbraw/zinc/03/57/72/621035772.db2.gz YSTKPQIOEQTEOC-OAGGEKHMSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902328352 621037776 /nfs/dbraw/zinc/03/77/76/621037776.db2.gz HGKBPQYCWIATBJ-BBRMVZONSA-N 2 0 276.424 2.608 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOc2ccccc2F)C1 ZINC000902331959 621038778 /nfs/dbraw/zinc/03/87/78/621038778.db2.gz XFNPAYZEFFSJCB-CYBMUJFWSA-N 2 0 280.387 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000902331489 621038947 /nfs/dbraw/zinc/03/89/47/621038947.db2.gz AYKYBHSDLONKHG-OAHLLOKOSA-N 2 0 276.424 2.823 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371360 621044535 /nfs/dbraw/zinc/04/45/35/621044535.db2.gz OYVQRVJRIUPIOY-CYBMUJFWSA-N 2 0 266.454 2.967 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccnn1C ZINC000902378209 621047267 /nfs/dbraw/zinc/04/72/67/621047267.db2.gz VJMJGVYDEYZYTL-LSDHHAIUSA-N 2 0 292.471 2.528 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000902360182 621052511 /nfs/dbraw/zinc/05/25/11/621052511.db2.gz GMKYVMHZQKEDLF-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccn1 ZINC000902361782 621052777 /nfs/dbraw/zinc/05/27/77/621052777.db2.gz SHJVDKBPXZFWMZ-CYBMUJFWSA-N 2 0 279.453 2.671 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000902364635 621054325 /nfs/dbraw/zinc/05/43/25/621054325.db2.gz UBRVNFCVBWOXCY-DOMZBBRYSA-N 2 0 274.408 2.747 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCS1 ZINC000902406829 621055557 /nfs/dbraw/zinc/05/55/57/621055557.db2.gz UOWSNKMRMSMZTE-FRRDWIJNSA-N 2 0 256.459 2.638 20 0 CFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000902407813 621056104 /nfs/dbraw/zinc/05/61/04/621056104.db2.gz VFKGAJBISUVNCF-RCCFBDPRSA-N 2 0 299.462 2.511 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2COc3ccccc32)C1 ZINC000902384580 621059476 /nfs/dbraw/zinc/05/94/76/621059476.db2.gz NKMFYOFSBVBLAA-KBPBESRZSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902392833 621063332 /nfs/dbraw/zinc/06/33/32/621063332.db2.gz KGGVNAPSONITRA-CJNGLKHVSA-N 3 0 275.440 2.574 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC2SCCS2)C1 ZINC000902395747 621064741 /nfs/dbraw/zinc/06/47/41/621064741.db2.gz FJMJRGIQIFWZOJ-LLVKDONJSA-N 2 0 274.499 2.550 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000902398458 621066072 /nfs/dbraw/zinc/06/60/72/621066072.db2.gz PRJUXWQUBFBYDK-HUUCEWRRSA-N 2 0 288.435 2.666 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1(F)F ZINC000902400996 621067349 /nfs/dbraw/zinc/06/73/49/621067349.db2.gz ZCPNUMYIKOMWBV-MNOVXSKESA-N 2 0 260.372 2.646 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1C ZINC000902402401 621068347 /nfs/dbraw/zinc/06/83/47/621068347.db2.gz CWUZBTZJPVXRTO-RWMBFGLXSA-N 2 0 250.386 2.780 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000902403553 621068533 /nfs/dbraw/zinc/06/85/33/621068533.db2.gz ILEFVECDTMOIKW-VJUNAUMWSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402935 621068735 /nfs/dbraw/zinc/06/87/35/621068735.db2.gz POAILPDBIOGCTH-NIFZNCRKSA-N 2 0 250.430 2.646 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000902403501 621068747 /nfs/dbraw/zinc/06/87/47/621068747.db2.gz HPBGRFYSKVKQEE-SNPRPXQTSA-N 2 0 262.397 2.924 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428111 621075397 /nfs/dbraw/zinc/07/53/97/621075397.db2.gz BBJASUCRMYHHOL-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428687 621075966 /nfs/dbraw/zinc/07/59/66/621075966.db2.gz GDVOKOPRQHACQU-ZIAGYGMSSA-N 2 0 256.434 2.689 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000902431774 621077574 /nfs/dbraw/zinc/07/75/74/621077574.db2.gz UNZSLWRVRBXFTA-XSLAGTTESA-N 2 0 292.467 2.702 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000902432218 621077583 /nfs/dbraw/zinc/07/75/83/621077583.db2.gz WAAOQVAPPLLFBY-IACUBPJLSA-N 2 0 294.826 2.826 20 0 CFADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000902436514 621080046 /nfs/dbraw/zinc/08/00/46/621080046.db2.gz YYZMQPVYBJBSBT-GUDVDZBRSA-N 2 0 295.430 2.681 20 0 CFADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000902441569 621081239 /nfs/dbraw/zinc/08/12/39/621081239.db2.gz FBBVLJDANWNLDY-QXAKKESOSA-N 2 0 278.399 2.758 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902442210 621081575 /nfs/dbraw/zinc/08/15/75/621081575.db2.gz ACQRZANQIKDRCZ-FJCXZIGKSA-N 2 0 268.470 2.909 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902442216 621081875 /nfs/dbraw/zinc/08/18/75/621081875.db2.gz ACQRZANQIKDRCZ-RFLLOBDJSA-N 2 0 268.470 2.909 20 0 CFADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000902442480 621082016 /nfs/dbraw/zinc/08/20/16/621082016.db2.gz IMYOTGMVGLIOBO-MXWKQRLJSA-N 2 0 264.335 2.695 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902446021 621083695 /nfs/dbraw/zinc/08/36/95/621083695.db2.gz NUSKXFGHVDBTLD-YUSLTOFOSA-N 2 0 254.443 2.663 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473113 621085519 /nfs/dbraw/zinc/08/55/19/621085519.db2.gz RAGWLSVOWIMROD-BQDHKBFISA-N 2 0 262.372 2.629 20 0 CFADRP CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2c(c1)CCO2 ZINC000902473071 621085760 /nfs/dbraw/zinc/08/57/60/621085760.db2.gz PRLVYMFZWGORMJ-FXUDXRNXSA-N 2 0 272.392 2.555 20 0 CFADRP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902447066 621090051 /nfs/dbraw/zinc/09/00/51/621090051.db2.gz RCWAWHSVYWVWFX-GSPSYOTPSA-N 2 0 266.454 2.677 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000902451802 621091855 /nfs/dbraw/zinc/09/18/55/621091855.db2.gz YAFWAWNWAYGGOJ-OIISXLGYSA-N 2 0 293.499 2.617 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCS1 ZINC000902454755 621093864 /nfs/dbraw/zinc/09/38/64/621093864.db2.gz VAUSZAVLOQBUAM-AAVRWANBSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902456371 621094102 /nfs/dbraw/zinc/09/41/02/621094102.db2.gz OMWPRHSYBWLAFG-BTYMGIQYSA-N 2 0 258.409 2.723 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCSC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902455754 621094257 /nfs/dbraw/zinc/09/42/57/621094257.db2.gz YWAJSDBKVZFRID-AVGNSLFASA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902462383 621096440 /nfs/dbraw/zinc/09/64/40/621096440.db2.gz VMJUUIAGNACXNY-XIRDDKMYSA-N 2 0 290.451 2.882 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902462382 621096833 /nfs/dbraw/zinc/09/68/33/621096833.db2.gz VMJUUIAGNACXNY-USXIJHARSA-N 2 0 290.451 2.882 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)C1 ZINC000902464855 621098048 /nfs/dbraw/zinc/09/80/48/621098048.db2.gz DHKHOLFCJKWPBJ-OGCZYDBJSA-N 2 0 291.483 2.512 20 0 CFADRP c1ccc(N2CCC([NH2+]C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902481718 621109177 /nfs/dbraw/zinc/10/91/77/621109177.db2.gz GANWLLITNBLYMG-QGZVFWFLSA-N 2 0 287.451 2.777 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000902513592 621109271 /nfs/dbraw/zinc/10/92/71/621109271.db2.gz MHRVIMMSIWNUFU-ARFHVFGLSA-N 2 0 298.434 2.653 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902482959 621109872 /nfs/dbraw/zinc/10/98/72/621109872.db2.gz ODLQFLFHHNOSPT-BPCQOVAHSA-N 2 0 260.372 2.932 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1C ZINC000902484704 621110810 /nfs/dbraw/zinc/11/08/10/621110810.db2.gz GVYXWOXTMWWWNK-MGPQQGTHSA-N 2 0 262.397 2.700 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000902484792 621111139 /nfs/dbraw/zinc/11/11/39/621111139.db2.gz HQXLPOKKPWDPDK-JQFCIGGWSA-N 2 0 258.409 2.643 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485649 621111547 /nfs/dbraw/zinc/11/15/47/621111547.db2.gz MDPLAPZMDZCFHW-GVXVVHGQSA-N 2 0 286.341 2.963 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487236 621111944 /nfs/dbraw/zinc/11/19/44/621111944.db2.gz SBFZEOVHTCKTNR-YRGRVCCFSA-N 2 0 264.438 2.666 20 0 CFADRP COc1cc(OC)c([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1Cl ZINC000902488126 621112562 /nfs/dbraw/zinc/11/25/62/621112562.db2.gz KWIJSGANBTVXJE-DCAQKATOSA-N 2 0 298.814 2.745 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(OC(F)F)c1 ZINC000902488604 621112726 /nfs/dbraw/zinc/11/27/26/621112726.db2.gz NMUAYJVZOMUXCI-NHCYSSNCSA-N 2 0 270.323 2.676 20 0 CFADRP CCNc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000902594013 621126718 /nfs/dbraw/zinc/12/67/18/621126718.db2.gz ACVYYVZEWGJSNQ-OAHLLOKOSA-N 2 0 275.440 2.940 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000902616512 621135252 /nfs/dbraw/zinc/13/52/52/621135252.db2.gz VBVLSQMSYGGQLE-OTVXOJSOSA-N 2 0 261.413 2.548 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902724957 621158170 /nfs/dbraw/zinc/15/81/70/621158170.db2.gz MRSNFENPERIJQV-DLBZAZTESA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902736554 621161985 /nfs/dbraw/zinc/16/19/85/621161985.db2.gz VFHDURILCJPKAC-DOTOQJQBSA-N 2 0 290.451 2.946 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC000902752049 621164879 /nfs/dbraw/zinc/16/48/79/621164879.db2.gz FXMAXWZIIPKVAC-RDJZCZTQSA-N 2 0 282.472 2.759 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000902756368 621165627 /nfs/dbraw/zinc/16/56/27/621165627.db2.gz XNZGHOYZCMFXEI-DLBZAZTESA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000902756370 621165720 /nfs/dbraw/zinc/16/57/20/621165720.db2.gz XNZGHOYZCMFXEI-IRXDYDNUSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1COc2ccccc2C1 ZINC000902780354 621172256 /nfs/dbraw/zinc/17/22/56/621172256.db2.gz GADUVHMZMJARKY-HOCLYGCPSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000902793348 621178287 /nfs/dbraw/zinc/17/82/87/621178287.db2.gz HYVHPJUCFAKTFL-OAHLLOKOSA-N 2 0 298.434 2.865 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902950754 621212450 /nfs/dbraw/zinc/21/24/50/621212450.db2.gz IMXXAFNKSWBYOP-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000902978861 621216576 /nfs/dbraw/zinc/21/65/76/621216576.db2.gz LFSDKRFFIRWDNR-ZGRYLRDCSA-N 2 0 280.456 2.941 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000902975277 621221413 /nfs/dbraw/zinc/22/14/13/621221413.db2.gz DZVXEEUCBSKWTM-DOTOQJQBSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903018221 621222452 /nfs/dbraw/zinc/22/24/52/621222452.db2.gz ZCRHDEFREMNRQD-JONQDZQNSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903057312 621235987 /nfs/dbraw/zinc/23/59/87/621235987.db2.gz BKKVFJYMMKUWJE-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H](C)CC[C@H](C)[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000903090838 621248845 /nfs/dbraw/zinc/24/88/45/621248845.db2.gz IBWGULWFENEKAX-MDMSPXHWSA-N 2 0 295.515 2.530 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000903068666 621249439 /nfs/dbraw/zinc/24/94/39/621249439.db2.gz JXVFENGYWAOQFK-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000903069094 621249513 /nfs/dbraw/zinc/24/95/13/621249513.db2.gz QYFOMYUNNQDODG-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000903068665 621249517 /nfs/dbraw/zinc/24/95/17/621249517.db2.gz JXVFENGYWAOQFK-ARFHVFGLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H](C[C@@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103921 621253863 /nfs/dbraw/zinc/25/38/63/621253863.db2.gz BMFGNCTYGCXZMC-AZGATIOISA-N 2 0 280.456 2.531 20 0 CFADRP CCC(CC)(CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903104653 621254618 /nfs/dbraw/zinc/25/46/18/621254618.db2.gz KOXACZCWYINEGQ-ZXFUBFMLSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H]1C ZINC000903132543 621264353 /nfs/dbraw/zinc/26/43/53/621264353.db2.gz RUDHYUXEZZSJOC-ORIJERBGSA-N 2 0 250.430 2.909 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@@H](C)C1 ZINC000903161194 621271218 /nfs/dbraw/zinc/27/12/18/621271218.db2.gz CZJKJHMPNNAHAB-NIOBXDJOSA-N 2 0 282.497 2.981 20 0 CFADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccn1 ZINC000903177513 621275632 /nfs/dbraw/zinc/27/56/32/621275632.db2.gz OHHHNQNEFIWYNH-ZXFUBFMLSA-N 2 0 271.408 2.637 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](c1ccccn1)C1CC1)C1CC1 ZINC000903183821 621277911 /nfs/dbraw/zinc/27/79/11/621277911.db2.gz RENQKFLRAFCPCV-KRWDZBQOSA-N 2 0 273.424 2.997 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903192966 621280761 /nfs/dbraw/zinc/28/07/61/621280761.db2.gz BKLDJWMCQKZFAM-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccc21 ZINC000903202360 621284166 /nfs/dbraw/zinc/28/41/66/621284166.db2.gz BAPPGZHESMPWAF-VYDXJSESSA-N 2 0 298.434 2.536 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903220511 621292716 /nfs/dbraw/zinc/29/27/16/621292716.db2.gz MLTBWSTUDWGTOZ-CVGRLMLNSA-N 2 0 292.467 2.939 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000903254628 621300429 /nfs/dbraw/zinc/30/04/29/621300429.db2.gz WEQJMJOESOXYRO-UHFFFAOYSA-N 2 0 280.456 2.677 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C1CC[NH+](C)CC1 ZINC000903246664 621305045 /nfs/dbraw/zinc/30/50/45/621305045.db2.gz QRONGMKTWYOQES-GDBMZVCRSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)C1CC[NH+](C)CC1 ZINC000903322341 621322792 /nfs/dbraw/zinc/32/27/92/621322792.db2.gz CGCYPVSBKAHJJR-BZOOQXSSSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(CO)cc2C)[C@@H](C)C1 ZINC000903309620 621327147 /nfs/dbraw/zinc/32/71/47/621327147.db2.gz WFLITAOXOQMVLH-MAUKXSAKSA-N 2 0 290.451 2.616 20 0 CFADRP C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)C1CC[NH+](C)CC1 ZINC000903338470 621334039 /nfs/dbraw/zinc/33/40/39/621334039.db2.gz IDYPUJNUZALCNI-SUMWQHHRSA-N 2 0 273.424 2.853 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000903354722 621345640 /nfs/dbraw/zinc/34/56/40/621345640.db2.gz XILJAOFOSVEDDM-UONOGXRCSA-N 2 0 298.471 2.674 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903425170 621369694 /nfs/dbraw/zinc/36/96/94/621369694.db2.gz VTGLZMRLEGOGRW-TZMCWYRMSA-N 2 0 264.438 2.968 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903425220 621370210 /nfs/dbraw/zinc/37/02/10/621370210.db2.gz XNJLCKPIAMYJSQ-BTTYYORXSA-N 2 0 272.383 2.599 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2Cc2ccccc2)C1 ZINC000903429293 621371355 /nfs/dbraw/zinc/37/13/55/621371355.db2.gz DQLSOKLUWYXUNN-BBWFWOEESA-N 2 0 258.409 2.821 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2)C2CC2)C1 ZINC000903429918 621372011 /nfs/dbraw/zinc/37/20/11/621372011.db2.gz LDOQLXVDVLLRNH-DZGCQCFKSA-N 2 0 262.372 2.918 20 0 CFADRP C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430284 621372165 /nfs/dbraw/zinc/37/21/65/621372165.db2.gz RKEAMMZSHFFLCH-MFKMUULPSA-N 2 0 254.324 2.524 20 0 CFADRP COc1cc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)ccc1SC ZINC000903432548 621373148 /nfs/dbraw/zinc/37/31/48/621373148.db2.gz DUVQFRGJGKIICF-OCCSQVGLSA-N 2 0 294.464 2.976 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)cc1 ZINC000903435080 621373812 /nfs/dbraw/zinc/37/38/12/621373812.db2.gz MZOGHHSFKVOUCT-BMFZPTHFSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000903438026 621375415 /nfs/dbraw/zinc/37/54/15/621375415.db2.gz PSKHMIIKQXTPMK-YUELXQCFSA-N 2 0 278.827 2.985 20 0 CFADRP C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903440904 621377986 /nfs/dbraw/zinc/37/79/86/621377986.db2.gz VECDSBLTIBFIMM-VHSSKADRSA-N 2 0 288.435 2.824 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCC(F)(F)F)CC2CC2)C1 ZINC000903441313 621378013 /nfs/dbraw/zinc/37/80/13/621378013.db2.gz NBOWVKSWKIAEPN-NWDGAFQWSA-N 2 0 264.335 2.778 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000903422305 621378678 /nfs/dbraw/zinc/37/86/78/621378678.db2.gz XNZPILOUPDJVGN-ZDUSSCGKSA-N 2 0 264.438 2.969 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC000903464082 621382089 /nfs/dbraw/zinc/38/20/89/621382089.db2.gz YTWJLLWHCDBDOG-USXIJHARSA-N 2 0 258.409 2.993 20 0 CFADRP Cc1nc(C)c([C@H](C)N(C)C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903444025 621383104 /nfs/dbraw/zinc/38/31/04/621383104.db2.gz NDMOSFMLBHQUMT-CDMKHQONSA-N 2 0 267.442 2.608 20 0 CFADRP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000903444038 621383228 /nfs/dbraw/zinc/38/32/28/621383228.db2.gz NWMRVSQLBRJPCJ-UHTWSYAYSA-N 2 0 267.442 2.880 20 0 CFADRP FC1(F)[C@@H](CN2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000903452039 621386806 /nfs/dbraw/zinc/38/68/06/621386806.db2.gz GRSUXCQNLNHSDE-VGWMRTNUSA-N 2 0 292.373 2.719 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000903455506 621388160 /nfs/dbraw/zinc/38/81/60/621388160.db2.gz XHMLSALBDOADHQ-OAHLLOKOSA-N 2 0 257.381 2.646 20 0 CFADRP C[N@H+](CCOCC[NH3+])Cc1cc(Cl)cc2ccccc21 ZINC000903473932 621389625 /nfs/dbraw/zinc/38/96/25/621389625.db2.gz CCDXQVRZMKMLLI-UHFFFAOYSA-N 2 0 292.810 2.900 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COCc1ccccc1 ZINC000903473097 621389639 /nfs/dbraw/zinc/38/96/39/621389639.db2.gz ZTJMUYYHWCCOHF-WBVHZDCISA-N 2 0 288.435 2.714 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)[nH]n1 ZINC000903477908 621391245 /nfs/dbraw/zinc/39/12/45/621391245.db2.gz BJOIWSYPVDYETB-KFWWJZLASA-N 2 0 290.455 2.568 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903481895 621391598 /nfs/dbraw/zinc/39/15/98/621391598.db2.gz PPYZFRUXIYECTK-CQSZACIVSA-N 2 0 260.372 2.887 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483998 621393225 /nfs/dbraw/zinc/39/32/25/621393225.db2.gz NKBOPJKCEPIXEL-WDEREUQCSA-N 2 0 277.239 2.835 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)C[C@H]1CC[NH3+] ZINC000903500202 621394272 /nfs/dbraw/zinc/39/42/72/621394272.db2.gz VSSDLJQSWHPQRB-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)co2)C[C@H]1CC[NH3+] ZINC000903498515 621394381 /nfs/dbraw/zinc/39/43/81/621394381.db2.gz JGZVDNWJTPFQBH-NXEZZACHSA-N 2 0 276.302 2.715 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1SC ZINC000903497001 621394933 /nfs/dbraw/zinc/39/49/33/621394933.db2.gz MUCYJDCJBPYOSR-TZMCWYRMSA-N 2 0 294.464 2.834 20 0 CFADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000903566071 621396457 /nfs/dbraw/zinc/39/64/57/621396457.db2.gz YYPLZKOSDFUFLE-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000903565032 621396710 /nfs/dbraw/zinc/39/67/10/621396710.db2.gz CTBIMTBSQQQIRE-YCPHGPKFSA-N 2 0 286.419 2.878 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903718839 621425589 /nfs/dbraw/zinc/42/55/89/621425589.db2.gz RSZMGLPCGUGUCV-OFQRWUPVSA-N 2 0 292.448 2.654 20 0 CFADRP C[N@H+](CCOc1ccccc1F)C[C@@H]1CCCC[NH2+]C1 ZINC000903719361 621425655 /nfs/dbraw/zinc/42/56/55/621425655.db2.gz YRAJSJFWRXIGRB-CQSZACIVSA-N 2 0 280.387 2.526 20 0 CFADRP Cc1ccccc1C[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719034 621425677 /nfs/dbraw/zinc/42/56/77/621425677.db2.gz UHZXNOIRUWKIQB-QGZVFWFLSA-N 2 0 288.435 2.586 20 0 CFADRP CCC1CCC([N@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723263 621426918 /nfs/dbraw/zinc/42/69/18/621426918.db2.gz GUFWLQFAHAKVJA-BACDZXNISA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C1CC1)C1CCCCC1 ZINC000903723540 621427100 /nfs/dbraw/zinc/42/71/00/621427100.db2.gz ICORPKFKUXLSTB-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903729068 621428866 /nfs/dbraw/zinc/42/88/66/621428866.db2.gz JJZMEDCKXKJREX-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903730408 621429339 /nfs/dbraw/zinc/42/93/39/621429339.db2.gz WCZPIXVJRXVEPB-ZACQAIPSSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903716016 621431393 /nfs/dbraw/zinc/43/13/93/621431393.db2.gz GBYKUSGOEBGUMQ-GFCCVEGCSA-N 2 0 250.361 2.715 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000903749380 621432576 /nfs/dbraw/zinc/43/25/76/621432576.db2.gz JYOHPFCAYPVIFZ-INIZCTEOSA-N 2 0 273.424 2.520 20 0 CFADRP FCc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903751730 621433049 /nfs/dbraw/zinc/43/30/49/621433049.db2.gz MFLBBBKVTURZKY-MRXNPFEDSA-N 2 0 262.372 2.732 20 0 CFADRP Fc1ccc2c(c1)CCN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903753707 621433124 /nfs/dbraw/zinc/43/31/24/621433124.db2.gz XGACFIKIYPZGNC-ZDUSSCGKSA-N 2 0 262.372 2.574 20 0 CFADRP CC(C)C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733620 621433568 /nfs/dbraw/zinc/43/35/68/621433568.db2.gz LQUDLCHDRVLCAU-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734643 621433773 /nfs/dbraw/zinc/43/37/73/621433773.db2.gz UICDEOHPTKVAQT-QAETUUGQSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734302 621433865 /nfs/dbraw/zinc/43/38/65/621433865.db2.gz PXSRVRFRNCKKAB-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760242 621436236 /nfs/dbraw/zinc/43/62/36/621436236.db2.gz WJCYKLTWWKKUQH-OKZBNKHCSA-N 2 0 288.435 2.742 20 0 CFADRP CC[C@@H](NC[C@H]1CCCC[NH2+]C1)c1c(C)noc1C ZINC000903760221 621436263 /nfs/dbraw/zinc/43/62/63/621436263.db2.gz WEIDPTDVUGFVKB-UONOGXRCSA-N 2 0 265.401 2.722 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCCC[NH2+]C2)cn1 ZINC000903763038 621436723 /nfs/dbraw/zinc/43/67/23/621436723.db2.gz HFVISOLSYPSMMG-QGZVFWFLSA-N 2 0 287.451 2.992 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903766387 621437006 /nfs/dbraw/zinc/43/70/06/621437006.db2.gz PWOLVSLNMBHGCJ-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000903766117 621437138 /nfs/dbraw/zinc/43/71/38/621437138.db2.gz OZUAAQPEPLANJU-IAGOWNOFSA-N 2 0 292.467 2.657 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903766384 621437204 /nfs/dbraw/zinc/43/72/04/621437204.db2.gz PWOLVSLNMBHGCJ-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792936 621439435 /nfs/dbraw/zinc/43/94/35/621439435.db2.gz KALAOBQWWSSLAZ-HUUCEWRRSA-N 2 0 258.409 2.635 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793622 621439671 /nfs/dbraw/zinc/43/96/71/621439671.db2.gz GNKIOVBUECMEKH-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903786632 621441987 /nfs/dbraw/zinc/44/19/87/621441987.db2.gz NFGFXESPFYGTTN-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCc2cccnc2)CCC1 ZINC000903812136 621447438 /nfs/dbraw/zinc/44/74/38/621447438.db2.gz QSTFPIHIBJBBKH-INIZCTEOSA-N 2 0 273.424 2.608 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)nc(C)n1 ZINC000903812098 621447919 /nfs/dbraw/zinc/44/79/19/621447919.db2.gz PQNDIPABSGSXRF-INIZCTEOSA-N 2 0 288.439 2.577 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCC(F)(F)F)C2 ZINC000903842568 621450138 /nfs/dbraw/zinc/45/01/38/621450138.db2.gz PPAFBZHBZYKNKM-AXFHLTTASA-N 2 0 250.308 2.531 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCN1c1ccccc1 ZINC000903830911 621451400 /nfs/dbraw/zinc/45/14/00/621451400.db2.gz BCEMSSNDBHXTPY-DLBZAZTESA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCSc1ccc(F)cc1)C2 ZINC000903842429 621451608 /nfs/dbraw/zinc/45/16/08/621451608.db2.gz OHPYFNINMHRYEM-UBHSHLNASA-N 2 0 280.412 2.729 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)nc1 ZINC000903830951 621451746 /nfs/dbraw/zinc/45/17/46/621451746.db2.gz CBGVXINDOUNJDK-KRWDZBQOSA-N 2 0 289.423 2.617 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000903841431 621452988 /nfs/dbraw/zinc/45/29/88/621452988.db2.gz XUWHHFOLHQWMLK-RVMXOQNASA-N 2 0 258.356 2.624 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccc(F)c(Cl)c1)C2 ZINC000903839234 621453232 /nfs/dbraw/zinc/45/32/32/621453232.db2.gz JJFZOJORPSGZIU-SRVKXCTJSA-N 2 0 298.789 2.670 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000903843314 621454585 /nfs/dbraw/zinc/45/45/85/621454585.db2.gz IIPGZRSYMXNWRQ-CFVMTHIKSA-N 2 0 283.375 2.653 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000903843207 621454608 /nfs/dbraw/zinc/45/46/08/621454608.db2.gz FHGDZSFWHDSBTN-YUTCNCBUSA-N 2 0 266.335 2.936 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000903844004 621454977 /nfs/dbraw/zinc/45/49/77/621454977.db2.gz ZDNUKCPANRICDA-CFMVVWHZSA-N 2 0 260.356 2.625 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000903847041 621455586 /nfs/dbraw/zinc/45/55/86/621455586.db2.gz SDLDEWRGDDBWHE-XQQFMLRXSA-N 2 0 282.334 2.600 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000903864742 621459623 /nfs/dbraw/zinc/45/96/23/621459623.db2.gz WMHGZERUEVZLSH-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP C[C@]12CSC[C@H]1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000903869988 621461698 /nfs/dbraw/zinc/46/16/98/621461698.db2.gz BFLBZBBGRYKXFD-SJORKVTESA-N 2 0 288.460 2.517 20 0 CFADRP c1ccc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903877501 621462905 /nfs/dbraw/zinc/46/29/05/621462905.db2.gz AZXQORBXOFLWLF-NXCDMZCRSA-N 2 0 286.419 2.591 20 0 CFADRP CCCCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C(C)C ZINC000903883038 621463848 /nfs/dbraw/zinc/46/38/48/621463848.db2.gz DPDAQEQUKPYIBQ-HNNXBMFYSA-N 2 0 293.459 2.603 20 0 CFADRP Fc1cccc2c1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903893646 621465380 /nfs/dbraw/zinc/46/53/80/621465380.db2.gz XXQUJOSETIDXMT-LQDVMPOASA-N 2 0 274.383 2.714 20 0 CFADRP c1cncc(CC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903908443 621470231 /nfs/dbraw/zinc/47/02/31/621470231.db2.gz JCAFKEZMTGVFJM-YQQQUEKLSA-N 2 0 299.462 2.867 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939168 621473505 /nfs/dbraw/zinc/47/35/05/621473505.db2.gz SIPUORVMYQAATJ-GFCCVEGCSA-N 2 0 252.377 2.864 20 0 CFADRP CCc1ccccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923263 621474264 /nfs/dbraw/zinc/47/42/64/621474264.db2.gz PGDQTRZHFIMFOS-FUCXHRTASA-N 2 0 258.409 2.869 20 0 CFADRP Cc1nc2ccc(C[NH2+]CCC(C)(C)[NH3+])cc2s1 ZINC000903939265 621474271 /nfs/dbraw/zinc/47/42/71/621474271.db2.gz DZAXXMBCWDLKCZ-UHFFFAOYSA-N 2 0 263.410 2.822 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000903938850 621475348 /nfs/dbraw/zinc/47/53/48/621475348.db2.gz NEXBVSFDYSLRQX-UHFFFAOYSA-N 2 0 253.415 2.628 20 0 CFADRP Cc1cc(C[NH2+]CCC(C)(C)[NH3+])cc2cccnc12 ZINC000903938878 621475657 /nfs/dbraw/zinc/47/56/57/621475657.db2.gz OGCPSNVCZFHYEU-UHFFFAOYSA-N 2 0 257.381 2.760 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000903939366 621478235 /nfs/dbraw/zinc/47/82/35/621478235.db2.gz YBFPMYDQSYKKJB-UHFFFAOYSA-N 2 0 255.431 2.658 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903960057 621480419 /nfs/dbraw/zinc/48/04/19/621480419.db2.gz WFSZMOHUBJBIOI-APNQJHFZSA-N 2 0 274.383 2.791 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@]3(CC[NH2+]C3)C1)CO2 ZINC000903959686 621480613 /nfs/dbraw/zinc/48/06/13/621480613.db2.gz MJGHIBMDPOLKOZ-LJQANCHMSA-N 2 0 298.430 2.928 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000903940749 621481619 /nfs/dbraw/zinc/48/16/19/621481619.db2.gz CZFKISBFOLJDLT-UHFFFAOYSA-N 2 0 298.814 2.718 20 0 CFADRP CCCOc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903941279 621482246 /nfs/dbraw/zinc/48/22/46/621482246.db2.gz VWMVVDAEXCUWKI-UHFFFAOYSA-N 2 0 250.386 2.692 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2c3ccccc3NC2(C)C)CC[NH2+]1 ZINC000903948616 621485953 /nfs/dbraw/zinc/48/59/53/621485953.db2.gz SJJCGOYPNVCZFI-DVOMOZLQSA-N 2 0 273.424 2.910 20 0 CFADRP CC(C)(C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000903955419 621490004 /nfs/dbraw/zinc/49/00/04/621490004.db2.gz RJVLTMUPHLQTLR-CQSZACIVSA-N 2 0 282.378 2.799 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955746 621490044 /nfs/dbraw/zinc/49/00/44/621490044.db2.gz AXEWQHDYCIPZMU-NXEZZACHSA-N 2 0 288.304 2.942 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000903955696 621490271 /nfs/dbraw/zinc/49/02/71/621490271.db2.gz AKYMCAXJVOJANI-DZGCQCFKSA-N 2 0 282.378 2.700 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000903956195 621491020 /nfs/dbraw/zinc/49/10/20/621491020.db2.gz IOPUMLMFBXLFLZ-TZMCWYRMSA-N 2 0 268.351 2.625 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956175 621491189 /nfs/dbraw/zinc/49/11/89/621491189.db2.gz IICGYMQLUOYYCN-LSDHHAIUSA-N 2 0 282.378 2.842 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974773 621492723 /nfs/dbraw/zinc/49/27/23/621492723.db2.gz RZFDEKXOKFCJBH-HLLBOEOZSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(Cl)c1F ZINC000903975157 621492894 /nfs/dbraw/zinc/49/28/94/621492894.db2.gz YPNWBXAHPTZOKM-GHMZBOCLSA-N 2 0 270.779 2.814 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903977524 621493651 /nfs/dbraw/zinc/49/36/51/621493651.db2.gz RWORTYDVYBGMRV-TZMCWYRMSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2s1 ZINC000903963942 621495822 /nfs/dbraw/zinc/49/58/22/621495822.db2.gz AGZDCLKBNCTJKQ-YPMHNXCESA-N 2 0 260.406 2.846 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000903963952 621495857 /nfs/dbraw/zinc/49/58/57/621495857.db2.gz AQXBMQUJTQXDSP-KOLCDFICSA-N 2 0 290.304 2.790 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964028 621495934 /nfs/dbraw/zinc/49/59/34/621495934.db2.gz FOYKXAIPZPEPDR-YPMHNXCESA-N 2 0 258.365 2.686 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000903965161 621496204 /nfs/dbraw/zinc/49/62/04/621496204.db2.gz YHQHNDKSPBWOPT-PWSUYJOCSA-N 2 0 272.314 2.651 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903988473 621500068 /nfs/dbraw/zinc/50/00/68/621500068.db2.gz SQKBSJWLTSWWJQ-HOTGVXAUSA-N 2 0 275.440 2.928 20 0 CFADRP CCC[N@H+](Cc1ccc2c(c1)CCCO2)C1CC[NH2+]CC1 ZINC000904299489 621567891 /nfs/dbraw/zinc/56/78/91/621567891.db2.gz FRJRPBSFQAMPQJ-UHFFFAOYSA-N 2 0 288.435 2.976 20 0 CFADRP c1cc2c(cc1C[N@H+](C1CC1)C1CC[NH2+]CC1)CCCO2 ZINC000904300128 621568037 /nfs/dbraw/zinc/56/80/37/621568037.db2.gz WSYOYWMQQAMYEV-UHFFFAOYSA-N 2 0 286.419 2.728 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCCO2)C1CCC([NH3+])CC1 ZINC000904301026 621568812 /nfs/dbraw/zinc/56/88/12/621568812.db2.gz FBIJNLVPQIHDGQ-UHFFFAOYSA-N 2 0 274.408 2.713 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904302002 621569020 /nfs/dbraw/zinc/56/90/20/621569020.db2.gz SLZFLIHNPWDKGL-BJJXKVORSA-N 2 0 260.381 2.569 20 0 CFADRP CC[NH+]1CCC(N(C)C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904306639 621569521 /nfs/dbraw/zinc/56/95/21/621569521.db2.gz BHVZQYPBFLLCFN-CQSZACIVSA-N 2 0 269.477 2.556 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304298 621569648 /nfs/dbraw/zinc/56/96/48/621569648.db2.gz YFIBOJVZHAXVRO-AOOOYVTPSA-N 2 0 258.818 2.961 20 0 CFADRP C[N@H+](CCCc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904308184 621570036 /nfs/dbraw/zinc/57/00/36/621570036.db2.gz LQGVLTKHDPOOJU-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308710 621570404 /nfs/dbraw/zinc/57/04/04/621570404.db2.gz VGQAWKRQKQNCKF-XBXGTLAGSA-N 2 0 252.789 2.899 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000904307720 621570535 /nfs/dbraw/zinc/57/05/35/621570535.db2.gz VEXJYBXBTSFJGO-OAHLLOKOSA-N 2 0 281.488 2.700 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cc3cccc(F)c3)CC2)C1 ZINC000904313039 621570736 /nfs/dbraw/zinc/57/07/36/621570736.db2.gz WWGKIFWQUPMCPC-WOVMCDHWSA-N 2 0 276.399 2.818 20 0 CFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312821 621571166 /nfs/dbraw/zinc/57/11/66/621571166.db2.gz USVNGXMUCJWFSW-FZNQNYSPSA-N 2 0 298.434 2.678 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(OCC3CCCCC3)CC2)C1 ZINC000904314106 621571575 /nfs/dbraw/zinc/57/15/75/621571575.db2.gz SEIFGMLDQUOARN-IYBDPMFKSA-N 2 0 280.456 2.785 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000904317523 621572240 /nfs/dbraw/zinc/57/22/40/621572240.db2.gz ZZNXPOUEAMWHMH-CVEARBPZSA-N 2 0 281.488 2.700 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904316686 621572299 /nfs/dbraw/zinc/57/22/99/621572299.db2.gz PUZXQGSSUDMCNQ-WMZOPIPTSA-N 2 0 288.435 2.874 20 0 CFADRP COc1cccc(C2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000904317024 621572398 /nfs/dbraw/zinc/57/23/98/621572398.db2.gz UCXOFFORGJIFLD-AKAXFMLLSA-N 2 0 274.408 2.612 20 0 CFADRP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322945 621574389 /nfs/dbraw/zinc/57/43/89/621574389.db2.gz KSPCEYFDUQEHKI-WCVJEAGWSA-N 2 0 258.409 2.910 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904326017 621576267 /nfs/dbraw/zinc/57/62/67/621576267.db2.gz BWUMRLNZGQNWJH-KFWWJZLASA-N 2 0 270.486 2.982 20 0 CFADRP c1cc2c(cc1CN1CC[C@]3(C1)CCC[NH2+]C3)CCCO2 ZINC000904334221 621577408 /nfs/dbraw/zinc/57/74/08/621577408.db2.gz PIHJDYLTESNEQN-GOSISDBHSA-N 2 0 286.419 2.587 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904333768 621577442 /nfs/dbraw/zinc/57/74/42/621577442.db2.gz FWVZQAIATBTYPK-AWEZNQCLSA-N 2 0 274.408 2.572 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904333769 621577541 /nfs/dbraw/zinc/57/75/41/621577541.db2.gz FWVZQAIATBTYPK-CQSZACIVSA-N 2 0 274.408 2.572 20 0 CFADRP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000904333308 621577586 /nfs/dbraw/zinc/57/75/86/621577586.db2.gz WWUDZDXDGYRBCR-YQQAZPJKSA-N 2 0 258.409 2.830 20 0 CFADRP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904340344 621578245 /nfs/dbraw/zinc/57/82/45/621578245.db2.gz HMZZEAKBCCQBCJ-LNCBFAARSA-N 2 0 274.408 2.815 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000904343800 621579069 /nfs/dbraw/zinc/57/90/69/621579069.db2.gz XLPCJZMAVWVBTD-CVEARBPZSA-N 2 0 282.472 2.889 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904346355 621579433 /nfs/dbraw/zinc/57/94/33/621579433.db2.gz RJCQDWIYSBPEGH-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000904346050 621579744 /nfs/dbraw/zinc/57/97/44/621579744.db2.gz PRDXWQGIZINLIK-DLBZAZTESA-N 2 0 292.398 2.669 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2CCCN3)cc1 ZINC000904355679 621581577 /nfs/dbraw/zinc/58/15/77/621581577.db2.gz WCDNZVMTCRFFSI-UHFFFAOYSA-N 2 0 281.403 2.793 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000904354583 621581756 /nfs/dbraw/zinc/58/17/56/621581756.db2.gz DMXMWNOWWGZBOE-RDJZCZTQSA-N 2 0 289.467 2.617 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000904360160 621582190 /nfs/dbraw/zinc/58/21/90/621582190.db2.gz IPTKHGARVQCSEL-GBJTYRQASA-N 2 0 268.445 2.687 20 0 CFADRP C[C@]1(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)CCC[NH2+]C1 ZINC000904388377 621585824 /nfs/dbraw/zinc/58/58/24/621585824.db2.gz IEJSHVNYSPYLLV-OKZBNKHCSA-N 2 0 270.420 2.650 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000904393437 621587275 /nfs/dbraw/zinc/58/72/75/621587275.db2.gz UFISFRSQPLFDCM-OWCLPIDISA-N 2 0 280.456 2.643 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CCC[NH2+]C1 ZINC000904384743 621588919 /nfs/dbraw/zinc/58/89/19/621588919.db2.gz MYBKMZVDIVJKAQ-SJORKVTESA-N 2 0 280.456 2.800 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405495 621590194 /nfs/dbraw/zinc/59/01/94/621590194.db2.gz LZSICASSKXKHQQ-LBPRGKRZSA-N 2 0 250.361 2.559 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000904405087 621590247 /nfs/dbraw/zinc/59/02/47/621590247.db2.gz IWKNCISPWSNTBL-OAHLLOKOSA-N 2 0 298.434 2.566 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000904405866 621590437 /nfs/dbraw/zinc/59/04/37/621590437.db2.gz QPSMCONAGTUZMB-STQMWFEESA-N 2 0 250.361 2.600 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1OCC ZINC000904405483 621590529 /nfs/dbraw/zinc/59/05/29/621590529.db2.gz JXGFBVZEUNZCCS-CQSZACIVSA-N 2 0 292.423 2.655 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410475 621591902 /nfs/dbraw/zinc/59/19/02/621591902.db2.gz FUBXJYGDXGBSTR-RYUDHWBXSA-N 2 0 267.442 2.683 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000904410351 621592014 /nfs/dbraw/zinc/59/20/14/621592014.db2.gz FIBHSUUHZMXANG-VJTBZZIASA-N 2 0 280.362 2.895 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@@H]1C[NH3+] ZINC000904411278 621592512 /nfs/dbraw/zinc/59/25/12/621592512.db2.gz TVVSDNDHZGLQOL-XJKSGUPXSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@@H]1C[NH3+] ZINC000904412578 621593319 /nfs/dbraw/zinc/59/33/19/621593319.db2.gz WRQSOMZSSGGIDQ-UONOGXRCSA-N 2 0 269.392 2.652 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904412276 621593474 /nfs/dbraw/zinc/59/34/74/621593474.db2.gz RIUFRRQYZWMJQI-RYUDHWBXSA-N 2 0 252.427 2.727 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000904418988 621596106 /nfs/dbraw/zinc/59/61/06/621596106.db2.gz JJAXUFORQHTSFR-UMVBOHGHSA-N 2 0 294.414 2.540 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904477391 621601683 /nfs/dbraw/zinc/60/16/83/621601683.db2.gz VHMDMVPREHDYHV-SWLSCSKDSA-N 2 0 261.413 2.823 20 0 CFADRP Cc1nc(N)ccc1-c1ccc(CC[NH+]2CCOCC2)cc1 ZINC000904768385 621642217 /nfs/dbraw/zinc/64/22/17/621642217.db2.gz INYVMUKZXHRDBY-UHFFFAOYSA-N 2 0 297.402 2.514 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906582316 622014465 /nfs/dbraw/zinc/01/44/65/622014465.db2.gz AZEPMQYGJKPNQE-SJORKVTESA-N 2 0 276.399 2.955 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924842899 622582095 /nfs/dbraw/zinc/58/20/95/622582095.db2.gz ITVGDQFDDBLFRU-VBQJREDUSA-N 2 0 260.425 2.948 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924844642 622663000 /nfs/dbraw/zinc/66/30/00/622663000.db2.gz WCUDAWJRSVSBMJ-CQSZACIVSA-N 2 0 273.424 2.619 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820806740 622760640 /nfs/dbraw/zinc/76/06/40/622760640.db2.gz PXFUZZJVHGVQQQ-RHSMWYFYSA-N 2 0 276.424 2.968 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820810753 622762942 /nfs/dbraw/zinc/76/29/42/622762942.db2.gz DCXIOTQKKLERGD-NXCDMZCRSA-N 2 0 294.483 2.921 20 0 CFADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H]2CCO[C@H]21 ZINC000820810758 622763540 /nfs/dbraw/zinc/76/35/40/622763540.db2.gz DDTKJOVRMSLOEM-RJFYGAIVSA-N 2 0 290.451 2.547 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[S@@](C)=O ZINC000820823771 622766530 /nfs/dbraw/zinc/76/65/30/622766530.db2.gz PACXLGWIYDDIFQ-LAPQFRIASA-N 2 0 296.480 2.556 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000820824411 622767705 /nfs/dbraw/zinc/76/77/05/622767705.db2.gz SHHZPRYAECOQPW-SUMWQHHRSA-N 2 0 298.434 2.679 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820830624 622769869 /nfs/dbraw/zinc/76/98/69/622769869.db2.gz XHKGPLZKACGFAP-CKEIUWERSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cncc2ccccc21 ZINC000165085167 622980069 /nfs/dbraw/zinc/98/00/69/622980069.db2.gz KGEDSUVJUVBLGV-IUODEOHRSA-N 2 0 255.365 2.546 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)SC ZINC000224323145 623002021 /nfs/dbraw/zinc/00/20/21/623002021.db2.gz LBNYSBJTJXMCCN-STQMWFEESA-N 2 0 258.475 2.981 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000226314804 623067806 /nfs/dbraw/zinc/06/78/06/623067806.db2.gz YVUROYJGJNNUHD-OWCLPIDISA-N 2 0 293.480 2.894 20 0 CFADRP CC[NH+](CC)Cc1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000822333579 623084499 /nfs/dbraw/zinc/08/44/99/623084499.db2.gz BGSLIWZQLWOKHU-UHFFFAOYSA-N 2 0 289.423 2.563 20 0 CFADRP C[C@@H](CN[C@H]1CCc2cccnc21)C[NH+]1CCCCC1 ZINC000226815693 623090039 /nfs/dbraw/zinc/09/00/39/623090039.db2.gz FKRFKRCTLABQRA-HOCLYGCPSA-N 2 0 273.424 2.781 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000087575138 623187000 /nfs/dbraw/zinc/18/70/00/623187000.db2.gz QIRWNQNUPHCSJM-WPRPVWTQSA-N 2 0 289.242 2.728 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC000823167457 623249609 /nfs/dbraw/zinc/24/96/09/623249609.db2.gz GXPHJVAQYNTIDH-NWDGAFQWSA-N 2 0 277.239 2.598 20 0 CFADRP CN(Cc1cccc(F)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062861862 623300143 /nfs/dbraw/zinc/30/01/43/623300143.db2.gz AQGBLQVBSGFLCB-OAHLLOKOSA-N 2 0 250.361 2.647 20 0 CFADRP Clc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000063200529 623332812 /nfs/dbraw/zinc/33/28/12/623332812.db2.gz GJSNXWFNHHYZSQ-AWEZNQCLSA-N 2 0 279.815 2.699 20 0 CFADRP C[Si](C)(C)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173882559 623372944 /nfs/dbraw/zinc/37/29/44/623372944.db2.gz PQGYLIWPISEMCF-AWEZNQCLSA-N 2 0 254.494 2.672 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 ZINC000823742928 623389878 /nfs/dbraw/zinc/38/98/78/623389878.db2.gz ZLHWLOARXXAOQE-FOLVSLTJSA-N 2 0 285.391 2.918 20 0 CFADRP OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000824564367 623523873 /nfs/dbraw/zinc/52/38/73/623523873.db2.gz KKGNPTCKRRHQFR-BSDSXHPESA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)CCC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000759805453 623586026 /nfs/dbraw/zinc/58/60/26/623586026.db2.gz WJSSNDYECXYKSV-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(F)ncc1F ZINC000824913556 623587318 /nfs/dbraw/zinc/58/73/18/623587318.db2.gz AYJXVGDBNGPWGW-UHFFFAOYSA-N 2 0 271.355 2.570 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000313106084 623663731 /nfs/dbraw/zinc/66/37/31/623663731.db2.gz JBFQVXGJGHDRRN-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP CCCn1nccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000825762615 623751969 /nfs/dbraw/zinc/75/19/69/623751969.db2.gz PQBDIENYIXOXAD-UHFFFAOYSA-N 2 0 290.455 2.601 20 0 CFADRP c1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c2c(c1)CCCN2 ZINC000227159895 623886761 /nfs/dbraw/zinc/88/67/61/623886761.db2.gz LGTYKXLTGLRIJL-IRXDYDNUSA-N 2 0 285.435 2.761 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)C1CC[NH+](C)CC1 ZINC000834883502 623902256 /nfs/dbraw/zinc/90/22/56/623902256.db2.gz FXNYZXZJQMBYLH-ZYHUDNBSSA-N 2 0 279.255 2.890 20 0 CFADRP C[C@@H]([NH2+]CCSC(C)(C)C)C1CC[NH+](C)CC1 ZINC000089516528 624011533 /nfs/dbraw/zinc/01/15/33/624011533.db2.gz KCXLBVHHGIGXDK-GFCCVEGCSA-N 2 0 258.475 2.838 20 0 CFADRP c1ccc2c(c1)C[N@H+](CCCC1CC[NH2+]CC1)CCO2 ZINC000063013483 625700879 /nfs/dbraw/zinc/70/08/79/625700879.db2.gz QPNHORHXOBFCPI-UHFFFAOYSA-N 2 0 274.408 2.661 20 0 CFADRP FC(F)C1CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000827948011 624136195 /nfs/dbraw/zinc/13/61/95/624136195.db2.gz DZOQEXYVOKFOEK-IYXRBSQSSA-N 2 0 272.383 2.742 20 0 CFADRP c1cn2c(n1)[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)CC2 ZINC000834566861 625715567 /nfs/dbraw/zinc/71/55/67/625715567.db2.gz UETHUBDTONNOIC-MRXNPFEDSA-N 2 0 290.455 2.964 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000830029312 624605296 /nfs/dbraw/zinc/60/52/96/624605296.db2.gz YLNVIPLLXSNUFM-MSOLQXFVSA-N 2 0 293.499 2.667 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070149573 625273976 /nfs/dbraw/zinc/27/39/76/625273976.db2.gz QFDYLEITJOPYBW-OAHLLOKOSA-N 2 0 292.423 2.667 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCC2 ZINC000834689034 625784801 /nfs/dbraw/zinc/78/48/01/625784801.db2.gz HYNXHEVEGUDLJD-CKUJCDMFSA-N 2 0 280.456 2.654 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921504408 625786613 /nfs/dbraw/zinc/78/66/13/625786613.db2.gz YOLABNMQZHDDPG-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000921537643 625979916 /nfs/dbraw/zinc/97/99/16/625979916.db2.gz NIIHWSBSGXKVIU-SJORKVTESA-N 2 0 274.408 2.720 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2O1 ZINC000921550432 625985125 /nfs/dbraw/zinc/98/51/25/625985125.db2.gz PYUZXFTUTGGXTK-XYPHTWIQSA-N 2 0 286.419 2.726 20 0 CFADRP Cc1cnc(Cl)c(CNC[C@H](C)C[NH+]2CCCC2)c1 ZINC000921553787 625985663 /nfs/dbraw/zinc/98/56/63/625985663.db2.gz WWHHAVBQYCFFBG-ZDUSSCGKSA-N 2 0 281.831 2.865 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](SC)C2)C1 ZINC000921580669 625989750 /nfs/dbraw/zinc/98/97/50/625989750.db2.gz FKVBZLAKAHZXNN-KFWWJZLASA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)cc2C)C1 ZINC000921622654 625999514 /nfs/dbraw/zinc/99/95/14/625999514.db2.gz AVQPDPSXFDSSCW-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000921689549 626087547 /nfs/dbraw/zinc/08/75/47/626087547.db2.gz SUZYGFXRYUOGPI-BRSBDYLESA-N 2 0 294.483 2.902 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000230221226 626101910 /nfs/dbraw/zinc/10/19/10/626101910.db2.gz OMZWAZFHYHHDLJ-CABCVRRESA-N 2 0 270.461 2.686 20 0 CFADRP Cc1nn(C)c(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1Cl ZINC000921920625 626178477 /nfs/dbraw/zinc/17/84/77/626178477.db2.gz RCCQRMATOUYUAT-UHFFFAOYSA-N 2 0 298.862 2.592 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921920415 626178649 /nfs/dbraw/zinc/17/86/49/626178649.db2.gz NKAKYLAUBQJMCP-UHFFFAOYSA-N 2 0 288.435 2.832 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CCCC1 ZINC000921997136 626193129 /nfs/dbraw/zinc/19/31/29/626193129.db2.gz ALVXWSLOKGFQMI-BRWVUGGUSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCc3nccn3C2)c(C)c1 ZINC000922025874 626198232 /nfs/dbraw/zinc/19/82/32/626198232.db2.gz QDPNRBYEEVCDPB-CQSZACIVSA-N 2 0 285.391 2.552 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000922217289 626243115 /nfs/dbraw/zinc/24/31/15/626243115.db2.gz OQWISWSRLAIBMN-BRWVUGGUSA-N 2 0 282.472 2.759 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000922222983 626244217 /nfs/dbraw/zinc/24/42/17/626244217.db2.gz GBMXCBUWCZYBLB-FQUUOJAGSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000922640897 626332369 /nfs/dbraw/zinc/33/23/69/626332369.db2.gz HJIOQQKMQNDVCV-MAUKXSAKSA-N 2 0 288.435 2.797 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851731218 634495722 /nfs/dbraw/zinc/49/57/22/634495722.db2.gz MEFCWOPIPDBVDX-MRXNPFEDSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cnc3ccccc3c2)CN1C1CC1 ZINC000922704467 626346226 /nfs/dbraw/zinc/34/62/26/626346226.db2.gz SEZWAXSSDOBXKG-WMLDXEAASA-N 2 0 295.430 2.992 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCC2(CCC2)O1 ZINC000922806877 626369635 /nfs/dbraw/zinc/36/96/35/626369635.db2.gz PPTKAKZWKWDQQL-XHSDSOJGSA-N 2 0 278.440 2.695 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922846491 626379377 /nfs/dbraw/zinc/37/93/77/626379377.db2.gz LIPYVAMDWCAQGQ-CKDBGZEDSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000922845354 626380383 /nfs/dbraw/zinc/38/03/83/626380383.db2.gz OQVZJZSGUSZQSM-UMQBVGHOSA-N 3 0 291.483 2.610 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000186595596 626387188 /nfs/dbraw/zinc/38/71/88/626387188.db2.gz BIPWJQYYRPESDC-YESZJQIVSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(C)c1 ZINC000922890370 626394288 /nfs/dbraw/zinc/39/42/88/626394288.db2.gz MBPTWHWPRXYKCH-CABCVRRESA-N 2 0 278.444 2.580 20 0 CFADRP Oc1cncc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000922976591 626437837 /nfs/dbraw/zinc/43/78/37/626437837.db2.gz BHAOVWQUCBOWBR-UHFFFAOYSA-N 2 0 297.402 2.541 20 0 CFADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC000923271777 626461633 /nfs/dbraw/zinc/46/16/33/626461633.db2.gz QBXXUDWFDOIFBS-AGUYFDCRSA-N 2 0 272.383 2.884 20 0 CFADRP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1ccc(F)cc1 ZINC000923307414 626464091 /nfs/dbraw/zinc/46/40/91/626464091.db2.gz VYEHOXMNVWBEBT-CJNGLKHVSA-N 2 0 292.398 2.587 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302986 626464492 /nfs/dbraw/zinc/46/44/92/626464492.db2.gz GIITUMJCABJPIS-HNNXBMFYSA-N 2 0 294.826 2.540 20 0 CFADRP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304288 626464754 /nfs/dbraw/zinc/46/47/54/626464754.db2.gz QNEWIBXGAWQFTE-STQMWFEESA-N 2 0 294.826 2.711 20 0 CFADRP CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313237 626464781 /nfs/dbraw/zinc/46/47/81/626464781.db2.gz QTQSHZNTAZGDMH-DLBZAZTESA-N 2 0 288.435 2.694 20 0 CFADRP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923312409 626464812 /nfs/dbraw/zinc/46/48/12/626464812.db2.gz KTBQTAPKEPEFFP-ROUUACIJSA-N 2 0 288.435 2.717 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304711 626464822 /nfs/dbraw/zinc/46/48/22/626464822.db2.gz RYMSXHOWVSYAKP-WBVHZDCISA-N 2 0 286.419 2.510 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923312588 626464982 /nfs/dbraw/zinc/46/49/82/626464982.db2.gz KPKAUQVQBQRIDB-CQSZACIVSA-N 2 0 256.459 2.736 20 0 CFADRP CC(C)CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923304768 626465015 /nfs/dbraw/zinc/46/50/15/626465015.db2.gz GPILDKZYZACJQX-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc2c(c1)CCCN(CCC[NH2+]C1CC1)C2 ZINC000923311776 626465826 /nfs/dbraw/zinc/46/58/26/626465826.db2.gz WLIGQOWOFXFAPS-UHFFFAOYSA-N 2 0 274.408 2.586 20 0 CFADRP C(C[NH2+]C1CC1)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000923322557 626466485 /nfs/dbraw/zinc/46/64/85/626466485.db2.gz XRUQIHSRWGFPJV-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923324404 626466564 /nfs/dbraw/zinc/46/65/64/626466564.db2.gz GWZJJQZOMPGHOO-AJYUKVHDSA-N 3 0 293.499 2.712 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923361110 626469125 /nfs/dbraw/zinc/46/91/25/626469125.db2.gz CXJZPUIJORIOCS-BBWFWOEESA-N 2 0 282.472 2.639 20 0 CFADRP Cc1ccccc1[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923375816 626469202 /nfs/dbraw/zinc/46/92/02/626469202.db2.gz FZNBWEJQVWZLCG-DOTOQJQBSA-N 2 0 288.435 2.660 20 0 CFADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923373347 626469242 /nfs/dbraw/zinc/46/92/42/626469242.db2.gz MWQWDWMECITKBI-MRXNPFEDSA-N 2 0 298.434 2.643 20 0 CFADRP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923375818 626469259 /nfs/dbraw/zinc/46/92/59/626469259.db2.gz FZNBWEJQVWZLCG-RDJZCZTQSA-N 2 0 288.435 2.660 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923376731 626469266 /nfs/dbraw/zinc/46/92/66/626469266.db2.gz OAPGIFNVWOUBJO-HZPDHXFCSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000923376604 626469274 /nfs/dbraw/zinc/46/92/74/626469274.db2.gz BPMUUUJNVFJXCA-FFHGMXDLSA-N 2 0 259.397 2.653 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923376729 626469357 /nfs/dbraw/zinc/46/93/57/626469357.db2.gz OAPGIFNVWOUBJO-HOTGVXAUSA-N 2 0 288.435 2.742 20 0 CFADRP O[C@H](CC1CCCC1)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923386429 626470293 /nfs/dbraw/zinc/47/02/93/626470293.db2.gz GLHBVAXZAPOETP-QZTJIDSGSA-N 2 0 294.483 2.639 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448474 626473402 /nfs/dbraw/zinc/47/34/02/626473402.db2.gz COXJZINRWPMSIQ-MRXNPFEDSA-N 2 0 288.435 2.633 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCC1CCCC1)CC2 ZINC000923449936 626473836 /nfs/dbraw/zinc/47/38/36/626473836.db2.gz QTIDMRDFCCYTAE-INIZCTEOSA-N 2 0 280.456 2.787 20 0 CFADRP CCc1cccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923453551 626474068 /nfs/dbraw/zinc/47/40/68/626474068.db2.gz YBBFALZBABDOJR-QGZVFWFLSA-N 2 0 288.435 2.579 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000923480505 626475906 /nfs/dbraw/zinc/47/59/06/626475906.db2.gz HXOVNYBJVAOTSI-JTQLQIEISA-N 2 0 288.313 2.598 20 0 CFADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493331 626476694 /nfs/dbraw/zinc/47/66/94/626476694.db2.gz SGVRMJNJPNHRFD-JZXOWHBKSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493333 626476736 /nfs/dbraw/zinc/47/67/36/626476736.db2.gz SGVRMJNJPNHRFD-XYJFISCASA-N 2 0 290.451 2.756 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923494938 626477012 /nfs/dbraw/zinc/47/70/12/626477012.db2.gz QTTPTZBJRVLRJA-OLZOCXBDSA-N 2 0 282.428 2.835 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1SC ZINC000923498891 626477082 /nfs/dbraw/zinc/47/70/82/626477082.db2.gz QPXIJKBIGUPWJF-JSGCOSHPSA-N 2 0 294.464 2.834 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H]1C[NH3+] ZINC000923500010 626477316 /nfs/dbraw/zinc/47/73/16/626477316.db2.gz UBKQPGNHDUMLLU-WDEREUQCSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500290 626477344 /nfs/dbraw/zinc/47/73/44/626477344.db2.gz WISUOLYQLVUDEP-UTUOFQBUSA-N 2 0 268.351 2.943 20 0 CFADRP CCCc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499805 626477347 /nfs/dbraw/zinc/47/73/47/626477347.db2.gz UGRZHRWNHCIQLN-NEPJUHHUSA-N 2 0 267.442 2.512 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923501177 626477537 /nfs/dbraw/zinc/47/75/37/626477537.db2.gz ZNBCVZAZSIDRNF-GOEBONIOSA-N 2 0 276.424 2.545 20 0 CFADRP COCC[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505014 626477711 /nfs/dbraw/zinc/47/77/11/626477711.db2.gz KNQOFVKEMYGFET-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP Clc1ccc(SCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517871 626478412 /nfs/dbraw/zinc/47/84/12/626478412.db2.gz GWVYEZBCNFRXOG-QWHCGFSZSA-N 2 0 296.867 2.973 20 0 CFADRP [NH3+]CC[C@@H]1CN(CCCC2CC[NH2+]CC2)c2ccccc21 ZINC000923553144 626479504 /nfs/dbraw/zinc/47/95/04/626479504.db2.gz HMQXYMQZWBKSRW-MRXNPFEDSA-N 2 0 287.451 2.719 20 0 CFADRP C[NH+](C)Cc1ccc(NC2CC[NH+](C3CC3)CC2)cc1F ZINC000838882741 626510302 /nfs/dbraw/zinc/51/03/02/626510302.db2.gz YIYSZGNGDCCUGB-UHFFFAOYSA-N 2 0 291.414 2.926 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000838968187 626517430 /nfs/dbraw/zinc/51/74/30/626517430.db2.gz MNSRQAXMCYFCGC-GOOCMWNKSA-N 2 0 296.455 2.571 20 0 CFADRP OC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000839557506 626546360 /nfs/dbraw/zinc/54/63/60/626546360.db2.gz ZMLILSFJDDWQMR-SFHVURJKSA-N 2 0 288.435 2.533 20 0 CFADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000763415478 626987100 /nfs/dbraw/zinc/98/71/00/626987100.db2.gz RWBXVWDTHNSYNX-UMVBOHGHSA-N 2 0 296.480 2.880 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000763415474 626987373 /nfs/dbraw/zinc/98/73/73/626987373.db2.gz RQJYLKMWKKPXGH-QPSCCSFWSA-N 2 0 294.464 2.777 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000763415477 626987519 /nfs/dbraw/zinc/98/75/19/626987519.db2.gz RWBXVWDTHNSYNX-NFAWXSAZSA-N 2 0 296.480 2.880 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2F)[C@@H](C)C1 ZINC000764930339 627107155 /nfs/dbraw/zinc/10/71/55/627107155.db2.gz SJLXYCTVJJKIJF-GOEBONIOSA-N 2 0 294.414 2.915 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765254487 627126464 /nfs/dbraw/zinc/12/64/64/627126464.db2.gz MZCRHURVUKYORC-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CCC[NH+]1CCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000765460738 627139919 /nfs/dbraw/zinc/13/99/19/627139919.db2.gz JTLHZNIFYUQGOW-UHFFFAOYSA-N 2 0 285.391 2.775 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000765770642 627156867 /nfs/dbraw/zinc/15/68/67/627156867.db2.gz OQCZTKHBTCNQLY-CZUORRHYSA-N 2 0 284.407 2.535 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000765849134 627160697 /nfs/dbraw/zinc/16/06/97/627160697.db2.gz NAOMFSGGRBPWBD-WBVHZDCISA-N 2 0 289.467 2.963 20 0 CFADRP COC1CCC(C[NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000766496114 627206096 /nfs/dbraw/zinc/20/60/96/627206096.db2.gz SDRBUKWBXVBSPI-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC[N@@H+]2C1 ZINC000773137030 627787301 /nfs/dbraw/zinc/78/73/01/627787301.db2.gz OSQOTBZCSSWFEB-ARILJUKYSA-N 2 0 298.521 2.582 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)[C@H]1CC[C@H](OC)C1 ZINC000851985061 634616089 /nfs/dbraw/zinc/61/60/89/634616089.db2.gz IIFYOCOYOLYVFA-GJZGRUSLSA-N 2 0 279.428 2.725 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000774981286 627983062 /nfs/dbraw/zinc/98/30/62/627983062.db2.gz ZTLHDUCMVOUFEE-HOTGVXAUSA-N 2 0 266.429 2.923 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775362155 628015653 /nfs/dbraw/zinc/01/56/53/628015653.db2.gz GNFFESUVRVUHPQ-RDBSUJKOSA-N 2 0 288.526 2.686 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000779078892 628350212 /nfs/dbraw/zinc/35/02/12/628350212.db2.gz OKTLGQGMZFDQCH-GTPINHCMSA-N 2 0 282.472 2.924 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000779436990 628382529 /nfs/dbraw/zinc/38/25/29/628382529.db2.gz PEBUFWPJGPCACH-UHFFFAOYSA-N 2 0 264.388 2.642 20 0 CFADRP CCc1noc(C)c1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000780744031 628492694 /nfs/dbraw/zinc/49/26/94/628492694.db2.gz CWWWWZOYNIATBD-LBPRGKRZSA-N 2 0 279.428 2.928 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCN2CCCC2)CC1 ZINC000782535091 628643715 /nfs/dbraw/zinc/64/37/15/628643715.db2.gz DOWOLMPVALXVMD-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000783240171 628691505 /nfs/dbraw/zinc/69/15/05/628691505.db2.gz OKSRLENNDOOWNC-KDOFPFPSSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000783240173 628691802 /nfs/dbraw/zinc/69/18/02/628691802.db2.gz OKSRLENNDOOWNC-RDTXWAMCSA-N 2 0 288.435 2.531 20 0 CFADRP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000783311992 628699510 /nfs/dbraw/zinc/69/95/10/628699510.db2.gz YFSUMJGPZLJJNA-ZDUSSCGKSA-N 2 0 292.345 2.686 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000783518886 628715100 /nfs/dbraw/zinc/71/51/00/628715100.db2.gz PEKCIGWAQRIZPN-LSDHHAIUSA-N 2 0 270.486 2.840 20 0 CFADRP COc1cccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000783734571 628739057 /nfs/dbraw/zinc/73/90/57/628739057.db2.gz MRISFGZHGMDQHY-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@@H]2CCCO2)cc1 ZINC000786575799 628969408 /nfs/dbraw/zinc/96/94/08/628969408.db2.gz MZYFCNNGIOQGOG-KRWDZBQOSA-N 2 0 276.424 2.749 20 0 CFADRP CC[C@@H](c1ccncc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788484639 629073768 /nfs/dbraw/zinc/07/37/68/629073768.db2.gz COCMPVQALXODIB-INIZCTEOSA-N 2 0 261.413 2.806 20 0 CFADRP C[NH+]1CCC(C[NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC000788490051 629074605 /nfs/dbraw/zinc/07/46/05/629074605.db2.gz VZXKFSDPJDPFMV-UHFFFAOYSA-N 2 0 264.388 2.992 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788529767 629078767 /nfs/dbraw/zinc/07/87/67/629078767.db2.gz TYVQEWDDLHZAPH-HUUCEWRRSA-N 2 0 291.439 2.950 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788573405 629082526 /nfs/dbraw/zinc/08/25/26/629082526.db2.gz PVISMEXVWMSYLX-LBPRGKRZSA-N 2 0 267.804 2.654 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000793521683 629560649 /nfs/dbraw/zinc/56/06/49/629560649.db2.gz XEGDVYGVPFHZFK-DZGCQCFKSA-N 2 0 280.460 2.890 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000852557272 634779963 /nfs/dbraw/zinc/77/99/63/634779963.db2.gz LNMNERDWLZYIFY-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000852564161 634780847 /nfs/dbraw/zinc/78/08/47/634780847.db2.gz FGQVJAHOAFSNMZ-SOLBZPMBSA-N 2 0 287.451 2.724 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC[C@H]3CCCCO3)C2)CC1 ZINC000799178202 630284178 /nfs/dbraw/zinc/28/41/78/630284178.db2.gz PKNANBQFKDMBCC-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP COC(C)(C)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178234 630284209 /nfs/dbraw/zinc/28/42/09/630284209.db2.gz IRCNSWKPKJZSKK-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(Cl)c1OC ZINC000110823016 634820386 /nfs/dbraw/zinc/82/03/86/634820386.db2.gz VQNKCNQBJMISGV-UHFFFAOYSA-N 2 0 298.814 2.717 20 0 CFADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCCCC[NH3+])cn1 ZINC000852759204 634827078 /nfs/dbraw/zinc/82/70/78/634827078.db2.gz LDJKEWGQGAIFOM-IRXDYDNUSA-N 2 0 292.471 2.630 20 0 CFADRP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000806132164 630771598 /nfs/dbraw/zinc/77/15/98/630771598.db2.gz ROHHXFAYRDCHFG-RISCZKNCSA-N 2 0 291.826 2.796 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000808721386 631035511 /nfs/dbraw/zinc/03/55/11/631035511.db2.gz LWSTYANFMDIHFO-WMLDXEAASA-N 2 0 290.451 2.961 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](O)c2ccccc2)C[C@@H]1C ZINC000808732393 631038199 /nfs/dbraw/zinc/03/81/99/631038199.db2.gz FFMRSCQNNLFFBC-SZMVWBNQSA-N 2 0 290.451 2.915 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CCC=CO2)cc1 ZINC000809739052 631275480 /nfs/dbraw/zinc/27/54/80/631275480.db2.gz VRIAVMZGYADILR-KRWDZBQOSA-N 2 0 274.408 2.873 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000841032107 631312216 /nfs/dbraw/zinc/31/22/16/631312216.db2.gz LCZZQLGQFGAKLW-UHFFFAOYSA-N 2 0 287.432 2.812 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033296 631313347 /nfs/dbraw/zinc/31/33/47/631313347.db2.gz MRBIQFNWPGLKGJ-QAPCUYQASA-N 2 0 289.467 2.588 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000841035527 631315050 /nfs/dbraw/zinc/31/50/50/631315050.db2.gz KGSVEEWISLQSQN-UHFFFAOYSA-N 2 0 276.330 2.756 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841064598 631328056 /nfs/dbraw/zinc/32/80/56/631328056.db2.gz ZMVMQVBFIVGODI-MAUKXSAKSA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000841076269 631331731 /nfs/dbraw/zinc/33/17/31/631331731.db2.gz VNHAJDCWQXLWRI-PQEJIFLISA-N 2 0 286.419 2.658 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841080855 631333157 /nfs/dbraw/zinc/33/31/57/631333157.db2.gz QZBKINHJNMIFJZ-GFCCVEGCSA-N 2 0 262.397 2.617 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1COC2 ZINC000841086530 631335071 /nfs/dbraw/zinc/33/50/71/631335071.db2.gz KKNLPVSNVNEROM-CRAIPNDOSA-N 2 0 286.419 2.681 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000841086616 631335826 /nfs/dbraw/zinc/33/58/26/631335826.db2.gz JRZOTNFKYZTGNU-HLLBOEOZSA-N 2 0 276.424 2.871 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])Cc1cccc(O)c1 ZINC000842471704 631639430 /nfs/dbraw/zinc/63/94/30/631639430.db2.gz UHEDJTGQWCKBRA-UHFFFAOYSA-N 2 0 250.386 2.733 20 0 CFADRP [NH3+]CCCCCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000842476981 631642281 /nfs/dbraw/zinc/64/22/81/631642281.db2.gz ZBRBOJCZBMDATA-UHFFFAOYSA-N 2 0 281.488 2.846 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000842923645 631783181 /nfs/dbraw/zinc/78/31/81/631783181.db2.gz IXPDMGPWTAGCON-PQEBFOHHSA-N 2 0 258.409 2.720 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCC[NH3+])C1 ZINC000155700923 650029844 /nfs/dbraw/zinc/02/98/44/650029844.db2.gz MEAIKCQTOWFPFG-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000843054346 631817417 /nfs/dbraw/zinc/81/74/17/631817417.db2.gz VUVZFRLKYWMCNU-ZNXRZULTSA-N 2 0 296.418 2.717 20 0 CFADRP CCCn1nc(C)c(C[N@H+](C)C2CCC([NH3+])CC2)c1C ZINC000843055747 631818639 /nfs/dbraw/zinc/81/86/39/631818639.db2.gz NYDFOIIUCHZPMS-UHFFFAOYSA-N 2 0 278.444 2.612 20 0 CFADRP C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CCC([NH3+])CC1 ZINC000843056061 631819419 /nfs/dbraw/zinc/81/94/19/631819419.db2.gz WOHBUWPYMUOVLK-UHFFFAOYSA-N 2 0 284.407 2.778 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843119058 631839773 /nfs/dbraw/zinc/83/97/73/631839773.db2.gz VBWFORVFNSPEGT-QAPCUYQASA-N 2 0 286.419 2.628 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843119057 631840531 /nfs/dbraw/zinc/84/05/31/631840531.db2.gz VBWFORVFNSPEGT-MAUKXSAKSA-N 2 0 286.419 2.628 20 0 CFADRP c1ccc2c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)ccnc2c1 ZINC000843120152 631841380 /nfs/dbraw/zinc/84/13/80/631841380.db2.gz DBMZPVWHNVENFL-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000843128593 631847773 /nfs/dbraw/zinc/84/77/73/631847773.db2.gz YAKVXFFXHAMNIZ-ZDUSSCGKSA-N 2 0 283.441 2.603 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000843128166 631847809 /nfs/dbraw/zinc/84/78/09/631847809.db2.gz UYGQKKIMSTZWSO-UHFFFAOYSA-N 2 0 280.803 2.596 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2nc([C@H]([NH3+])C(C)C)no2)o1 ZINC000843147621 631859925 /nfs/dbraw/zinc/85/99/25/631859925.db2.gz CJDDWLLMQOZEIC-CYBMUJFWSA-N 2 0 292.383 2.827 20 0 CFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000843339895 631930100 /nfs/dbraw/zinc/93/01/00/631930100.db2.gz JGNOUNXPUPZZRA-CKYFFXLPSA-N 2 0 284.325 2.582 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000843340660 631931278 /nfs/dbraw/zinc/93/12/78/631931278.db2.gz DDNYSKQXBRQZRQ-INIZCTEOSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000843340964 631931676 /nfs/dbraw/zinc/93/16/76/631931676.db2.gz WUCJEPDYKSOQON-DDHJBXDOSA-N 2 0 277.239 2.548 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCCCCC[NH3+])CC2 ZINC000843342634 631932259 /nfs/dbraw/zinc/93/22/59/631932259.db2.gz NTNOCJQVSXSUMZ-MRXNPFEDSA-N 2 0 262.397 2.791 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCCCCC[NH3+])cc1Cl ZINC000843342746 631932532 /nfs/dbraw/zinc/93/25/32/631932532.db2.gz SXWVEUQSICPIDW-LLVKDONJSA-N 2 0 285.819 2.913 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000843359356 631937097 /nfs/dbraw/zinc/93/70/97/631937097.db2.gz QFBYZJXBKAKEFP-QZTJIDSGSA-N 2 0 290.451 2.964 20 0 CFADRP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377627 631940942 /nfs/dbraw/zinc/94/09/42/631940942.db2.gz GCYHTVPXQOKHRL-CVEARBPZSA-N 2 0 297.487 2.522 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000843386707 631942710 /nfs/dbraw/zinc/94/27/10/631942710.db2.gz BPLVVZLQQDHXJD-STQMWFEESA-N 2 0 279.815 2.557 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCSCC1 ZINC000925485415 632123620 /nfs/dbraw/zinc/12/36/20/632123620.db2.gz CHRQOBOGPOLXAS-CVEARBPZSA-N 2 0 282.497 2.888 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000105458639 632135352 /nfs/dbraw/zinc/13/53/52/632135352.db2.gz CDZTXPLWWBCFHH-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP Cn1nccc1[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000844222175 632137317 /nfs/dbraw/zinc/13/73/17/632137317.db2.gz ZAXZZKRALYUDSK-OAHLLOKOSA-N 2 0 278.444 2.509 20 0 CFADRP CC(C)(C)CC[NH+]1CCN(CCCCCCC[NH3+])CC1 ZINC000844222063 632137690 /nfs/dbraw/zinc/13/76/90/632137690.db2.gz SFPTVFLTOTWXEQ-UHFFFAOYSA-N 2 0 283.504 2.949 20 0 CFADRP CCN(CC)C[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925485439 632201350 /nfs/dbraw/zinc/20/13/50/632201350.db2.gz CMSSRRVPGGFJMO-DOTOQJQBSA-N 2 0 277.456 2.787 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000844921449 632337213 /nfs/dbraw/zinc/33/72/13/632337213.db2.gz JITLUEZNHMFJCB-OAHLLOKOSA-N 2 0 274.408 2.791 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@@]1(F)Cl ZINC000844923565 632337846 /nfs/dbraw/zinc/33/78/46/632337846.db2.gz KQLYYNADUHLZGB-NDBYEHHHSA-N 2 0 262.800 2.798 20 0 CFADRP ClC1(Cl)C[C@H]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000844926434 632339379 /nfs/dbraw/zinc/33/93/79/632339379.db2.gz UITVWCPJBIJLMG-YIBTVLSRSA-N 2 0 277.239 2.833 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846035441 632619210 /nfs/dbraw/zinc/61/92/10/632619210.db2.gz HRWXMHSAQZDAPK-MAUKXSAKSA-N 2 0 290.451 2.747 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC[N@@H+]1C ZINC000846186792 632656857 /nfs/dbraw/zinc/65/68/57/632656857.db2.gz BVIHRLMLUYXLNW-LPWJVIDDSA-N 2 0 262.800 2.763 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC000846218692 632664169 /nfs/dbraw/zinc/66/41/69/632664169.db2.gz WJALGEODPLFAHV-OAHLLOKOSA-N 2 0 256.434 2.787 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@@H](c2ccccc2)O1 ZINC000846217795 632664987 /nfs/dbraw/zinc/66/49/87/632664987.db2.gz BWGAOBHAUAQVKX-RDJZCZTQSA-N 2 0 276.424 2.968 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000846219635 632665627 /nfs/dbraw/zinc/66/56/27/632665627.db2.gz UKJHPDZPLGVZMI-MRXNPFEDSA-N 2 0 262.397 2.579 20 0 CFADRP Cn1c2ccccc2nc1C[N@H+](C)CCCCCC[NH3+] ZINC000846219633 632666013 /nfs/dbraw/zinc/66/60/13/632666013.db2.gz DFVHHXKKHAOLKB-UHFFFAOYSA-N 2 0 274.412 2.524 20 0 CFADRP C[C@@H](c1ccsc1)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846220547 632666123 /nfs/dbraw/zinc/66/61/23/632666123.db2.gz KMQJTJKVLKANIN-HNNXBMFYSA-N 2 0 295.496 2.946 20 0 CFADRP CO[C@@]1(C)C[C@@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219554 632666150 /nfs/dbraw/zinc/66/61/50/632666150.db2.gz SKIGEDGYQAPKRN-HIFRSBDPSA-N 2 0 256.434 2.641 20 0 CFADRP CN1CC[C@H]([NH2+]CCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000846222491 632666615 /nfs/dbraw/zinc/66/66/15/632666615.db2.gz DPVWEDDYHFOOBZ-IRXDYDNUSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817892078 632718629 /nfs/dbraw/zinc/71/86/29/632718629.db2.gz QKHBLQMJEUQXFH-BFHYXJOUSA-N 2 0 289.423 2.590 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817890704 632718744 /nfs/dbraw/zinc/71/87/44/632718744.db2.gz XMUUWMXRTDHWAW-XYJFISCASA-N 2 0 290.451 2.929 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCSC(F)(F)F ZINC000817890635 632718859 /nfs/dbraw/zinc/71/88/59/632718859.db2.gz VRDQEYMRLNHRDR-ZYHUDNBSSA-N 2 0 292.370 2.788 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893278 632719802 /nfs/dbraw/zinc/71/98/02/632719802.db2.gz DGSITUWEORLUIZ-WOSRLPQWSA-N 2 0 278.440 2.733 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817898123 632721650 /nfs/dbraw/zinc/72/16/50/632721650.db2.gz DCDUELAPTHFVAQ-DZGCQCFKSA-N 2 0 280.387 2.702 20 0 CFADRP Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000817897324 632722074 /nfs/dbraw/zinc/72/20/74/632722074.db2.gz KRMOEYCYYDSCTD-SOABOVLPSA-N 2 0 299.462 2.836 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000817897308 632722196 /nfs/dbraw/zinc/72/21/96/632722196.db2.gz JXFPSIUZEMGDDK-ZKYQVNSYSA-N 2 0 279.453 2.783 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000817900296 632724438 /nfs/dbraw/zinc/72/44/38/632724438.db2.gz OCXSRSIFJFUMPQ-KFWWJZLASA-N 2 0 282.815 2.623 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)SC ZINC000817901823 632726272 /nfs/dbraw/zinc/72/62/72/632726272.db2.gz XYVKRRLOANBTIL-QWHCGFSZSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000817905904 632727788 /nfs/dbraw/zinc/72/77/88/632727788.db2.gz VKGHGNKCUWVPSC-QCPWZWHMSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817905420 632728066 /nfs/dbraw/zinc/72/80/66/632728066.db2.gz MWACCEJJQXDPIA-DCGLDWPTSA-N 2 0 272.392 2.589 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817905861 632728404 /nfs/dbraw/zinc/72/84/04/632728404.db2.gz OSUZJINLIAINLF-MFKMUULPSA-N 2 0 288.794 2.620 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000817906806 632728908 /nfs/dbraw/zinc/72/89/08/632728908.db2.gz HGUOIFKXPJSSCI-UHFFFAOYSA-N 2 0 255.365 2.594 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817910803 632730192 /nfs/dbraw/zinc/73/01/92/632730192.db2.gz YZKREANEINYORI-ZYSHUDEJSA-N 2 0 298.430 2.577 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817913150 632730729 /nfs/dbraw/zinc/73/07/29/632730729.db2.gz GCDGQQGBJJALJE-CVEARBPZSA-N 3 0 267.461 2.502 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000817913663 632730755 /nfs/dbraw/zinc/73/07/55/632730755.db2.gz QBEPYOXBDGBIDW-IIAWOOMASA-N 2 0 296.480 2.856 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000817912625 632730906 /nfs/dbraw/zinc/73/09/06/632730906.db2.gz HQUNIBCBHYTUCH-ZJIFWQFVSA-N 2 0 292.423 2.522 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817913153 632730977 /nfs/dbraw/zinc/73/09/77/632730977.db2.gz GCDGQQGBJJALJE-JKSUJKDBSA-N 3 0 267.461 2.502 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000817912604 632731010 /nfs/dbraw/zinc/73/10/10/632731010.db2.gz HQUNIBCBHYTUCH-CAOSSQGBSA-N 2 0 292.423 2.522 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000817913032 632731088 /nfs/dbraw/zinc/73/10/88/632731088.db2.gz MQQHZYDCLPNSAV-UGUYLWEFSA-N 2 0 294.439 2.992 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817911624 632731423 /nfs/dbraw/zinc/73/14/23/632731423.db2.gz BHIGUMBDZQCZSI-QCODTGAPSA-N 2 0 292.423 2.602 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000817914920 632731795 /nfs/dbraw/zinc/73/17/95/632731795.db2.gz CJWRCHHRZOSYCU-OWCLPIDISA-N 2 0 293.480 2.894 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817916859 632733061 /nfs/dbraw/zinc/73/30/61/632733061.db2.gz LQJHIHJFLHDFJN-IINYFYTJSA-N 2 0 288.794 2.620 20 0 CFADRP CSCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817921910 632735451 /nfs/dbraw/zinc/73/54/51/632735451.db2.gz KLRGOOWGOQLJLB-ZIAGYGMSSA-N 2 0 258.475 2.888 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000817922889 632735475 /nfs/dbraw/zinc/73/54/75/632735475.db2.gz NTFLVUHVPUDCLI-XHSDSOJGSA-N 2 0 296.842 2.797 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817922759 632735671 /nfs/dbraw/zinc/73/56/71/632735671.db2.gz LNZRHGWOZNAHEQ-DOMZBBRYSA-N 2 0 284.831 2.655 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922972 632736926 /nfs/dbraw/zinc/73/69/26/632736926.db2.gz OPSWUZTWEMDVPW-VBJONLRCSA-N 2 0 276.424 2.532 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000817927808 632738584 /nfs/dbraw/zinc/73/85/84/632738584.db2.gz MSVMGTJGPQNOCO-JZXOWHBKSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000817927809 632738986 /nfs/dbraw/zinc/73/89/86/632738986.db2.gz MSVMGTJGPQNOCO-LZLYRXPVSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000817927807 632739048 /nfs/dbraw/zinc/73/90/48/632739048.db2.gz MSVMGTJGPQNOCO-BQFCYCMXSA-N 2 0 289.467 2.614 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000817929804 632739734 /nfs/dbraw/zinc/73/97/34/632739734.db2.gz KLZCBKHGJGKIGM-IXDOHACOSA-N 2 0 276.424 2.586 20 0 CFADRP C[C@@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(Cl)Cl ZINC000817936163 632741818 /nfs/dbraw/zinc/74/18/18/632741818.db2.gz HPIVKXXARNSHFD-AYLPWXGPSA-N 2 0 277.239 2.833 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817941345 632744955 /nfs/dbraw/zinc/74/49/55/632744955.db2.gz TVGLFBXQPXFZPR-CQSZACIVSA-N 2 0 298.434 2.831 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817942100 632745066 /nfs/dbraw/zinc/74/50/66/632745066.db2.gz XQDRVLZYZKEVEH-NSHDSACASA-N 2 0 270.804 2.917 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1C ZINC000817941404 632745569 /nfs/dbraw/zinc/74/55/69/632745569.db2.gz QACVAAPSZOAGGI-AWEZNQCLSA-N 2 0 276.424 2.962 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)OCO2 ZINC000817947170 632749782 /nfs/dbraw/zinc/74/97/82/632749782.db2.gz MBWWCVQZZPPRIQ-ZDUSSCGKSA-N 2 0 298.386 2.767 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(-c2ccccc2)c1 ZINC000817955066 632755116 /nfs/dbraw/zinc/75/51/16/632755116.db2.gz PSGSOFKFODHRBI-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817968815 632767368 /nfs/dbraw/zinc/76/73/68/632767368.db2.gz MWUNDLFWHRYVNS-IRXDYDNUSA-N 2 0 260.425 2.985 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817969531 632768510 /nfs/dbraw/zinc/76/85/10/632768510.db2.gz WKBDRFNPDCYWMM-HOTGVXAUSA-N 2 0 274.408 2.804 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969650 632768834 /nfs/dbraw/zinc/76/88/34/632768834.db2.gz FVJMJXOJRWKOQB-XHSDSOJGSA-N 2 0 274.408 2.932 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000817970777 632770120 /nfs/dbraw/zinc/77/01/20/632770120.db2.gz DYPBLPDKWDBFDQ-XEZPLFJOSA-N 2 0 262.397 2.734 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976975 632774937 /nfs/dbraw/zinc/77/49/37/632774937.db2.gz YAEBNCYTFJCTFB-HZPDHXFCSA-N 2 0 256.393 2.714 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976857 632775077 /nfs/dbraw/zinc/77/50/77/632775077.db2.gz VPUNGKZOVIXQIC-SWLSCSKDSA-N 2 0 262.372 2.927 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccnc(Cl)c1 ZINC000817976918 632775201 /nfs/dbraw/zinc/77/52/01/632775201.db2.gz WVJHEYVNASWMFF-PWSUYJOCSA-N 2 0 265.788 2.528 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817981443 632777605 /nfs/dbraw/zinc/77/76/05/632777605.db2.gz JRGSIQRMOKBKAM-LZWOXQAQSA-N 2 0 284.407 2.650 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817981442 632778051 /nfs/dbraw/zinc/77/80/51/632778051.db2.gz JRGSIQRMOKBKAM-DZKIICNBSA-N 2 0 284.407 2.650 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817981330 632778111 /nfs/dbraw/zinc/77/81/11/632778111.db2.gz RBNMAEYBPCYYJB-BBRMVZONSA-N 2 0 274.408 2.804 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000817982621 632779544 /nfs/dbraw/zinc/77/95/44/632779544.db2.gz UQJMAIWFZGSMQM-OUCADQQQSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000817985255 632782144 /nfs/dbraw/zinc/78/21/44/632782144.db2.gz ILEFVECDTMOIKW-NKKGCODLSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Cl)nc1)CC[NH2+]CC2 ZINC000818340204 632832294 /nfs/dbraw/zinc/83/22/94/632832294.db2.gz JSGGJZSNNFKCTD-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cn1)CC[NH2+]CC2 ZINC000818339826 632832819 /nfs/dbraw/zinc/83/28/19/632832819.db2.gz FNJWGLVBMHPGOG-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000840367798 632906207 /nfs/dbraw/zinc/90/62/07/632906207.db2.gz CQDBHJXAHKLGGA-HNNXBMFYSA-N 2 0 267.376 2.792 20 0 CFADRP CCCCCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000818963098 632916624 /nfs/dbraw/zinc/91/66/24/632916624.db2.gz GIHMWZWTCLVYSE-OAGGEKHMSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)C[NH+]1CCCCC1 ZINC000818969111 632917530 /nfs/dbraw/zinc/91/75/30/632917530.db2.gz LDIHDWSCYVRZSG-WMLDXEAASA-N 2 0 294.414 2.571 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C)CC1 ZINC000819043695 632939331 /nfs/dbraw/zinc/93/93/31/632939331.db2.gz UIEQVUZUGFPZFH-GOSISDBHSA-N 2 0 290.451 2.883 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819107185 632966218 /nfs/dbraw/zinc/96/62/18/632966218.db2.gz VNIODDGYSZYKQU-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000819363763 633112312 /nfs/dbraw/zinc/11/23/12/633112312.db2.gz ZNCTYGCLAMRLKS-KRWDZBQOSA-N 2 0 294.414 2.632 20 0 CFADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000819376152 633137622 /nfs/dbraw/zinc/13/76/22/633137622.db2.gz XIEWNJDXESOBFI-DQPZFDDXSA-N 2 0 294.414 2.630 20 0 CFADRP CC(C)c1ccccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000848536689 633281758 /nfs/dbraw/zinc/28/17/58/633281758.db2.gz VINUSNUQDPIVOU-INIZCTEOSA-N 2 0 289.467 2.536 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000848556607 633288099 /nfs/dbraw/zinc/28/80/99/633288099.db2.gz APZFKMKUNBUSNU-NTZNESFSSA-N 2 0 279.815 2.652 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848718295 633323286 /nfs/dbraw/zinc/32/32/86/633323286.db2.gz HZAILXSFQKHWIZ-HUUCEWRRSA-N 2 0 261.413 2.502 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000857253553 635957087 /nfs/dbraw/zinc/95/70/87/635957087.db2.gz OZNRWGXTQMEBRW-WHOHXGKFSA-N 2 0 277.239 2.548 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000849004770 633455573 /nfs/dbraw/zinc/45/55/73/633455573.db2.gz YNSRWYSBCHLETI-LBPRGKRZSA-N 2 0 274.412 2.582 20 0 CFADRP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000849004689 633455738 /nfs/dbraw/zinc/45/57/38/633455738.db2.gz WEVXAPXKEIATTM-ZDUSSCGKSA-N 2 0 274.412 2.527 20 0 CFADRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849005528 633456768 /nfs/dbraw/zinc/45/67/68/633456768.db2.gz HXLMPNNRDXWTPC-UHFFFAOYSA-N 2 0 284.354 2.633 20 0 CFADRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849005815 633456793 /nfs/dbraw/zinc/45/67/93/633456793.db2.gz UANKZCMLIYXXHY-UHFFFAOYSA-N 2 0 288.439 2.843 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000849016970 633462373 /nfs/dbraw/zinc/46/23/73/633462373.db2.gz URPVZILWQVLVHM-CQSZACIVSA-N 2 0 280.460 2.577 20 0 CFADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849041087 633476641 /nfs/dbraw/zinc/47/66/41/633476641.db2.gz JZEJFEWWFQKPEP-LLVKDONJSA-N 2 0 296.365 2.633 20 0 CFADRP CCCNC(=[NH2+])NCCC[N@H+](CC)C1CCCCC1 ZINC000849046805 633479348 /nfs/dbraw/zinc/47/93/48/633479348.db2.gz LRDCMECLODZYSY-UHFFFAOYSA-N 2 0 268.449 2.555 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000849061570 633482399 /nfs/dbraw/zinc/48/23/99/633482399.db2.gz OGSZLURWMWZKQE-GJZGRUSLSA-N 2 0 282.476 2.799 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849076446 633483741 /nfs/dbraw/zinc/48/37/41/633483741.db2.gz MLVNSBLGZGRTOP-GDBMZVCRSA-N 2 0 294.487 2.944 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000850179473 633875629 /nfs/dbraw/zinc/87/56/29/633875629.db2.gz ZYUFWNXNPKMOLV-MYBQVCMBSA-N 2 0 280.456 2.941 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850297095 633931312 /nfs/dbraw/zinc/93/13/12/633931312.db2.gz DTAOBWVUBPIZOZ-CQSZACIVSA-N 2 0 256.353 2.546 20 0 CFADRP C(C1CCCC1)[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000850429688 633989333 /nfs/dbraw/zinc/98/93/33/633989333.db2.gz FKXCLBFZWGONLT-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850517048 634027374 /nfs/dbraw/zinc/02/73/74/634027374.db2.gz REYRTRJXCUPJAR-WMLDXEAASA-N 2 0 273.424 2.682 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2SCCS2)[C@H]2CCC[C@H]21 ZINC000850568709 634055586 /nfs/dbraw/zinc/05/55/86/634055586.db2.gz GQNYUCBERWVVPU-FRRDWIJNSA-N 2 0 286.510 2.645 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2SCCS2)[C@H](C)C1 ZINC000850570705 634055662 /nfs/dbraw/zinc/05/56/62/634055662.db2.gz ZPHJGSFFTGWPCE-VXGBXAGGSA-N 2 0 274.499 2.503 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850584288 634060878 /nfs/dbraw/zinc/06/08/78/634060878.db2.gz QMPNPMOHPYDJNA-RHSMWYFYSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1SCCS1 ZINC000853023045 634879253 /nfs/dbraw/zinc/87/92/53/634879253.db2.gz LGPDZSOIIXMDGG-OLZOCXBDSA-N 2 0 286.510 2.504 20 0 CFADRP Clc1ncccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093426 634901286 /nfs/dbraw/zinc/90/12/86/634901286.db2.gz KIWSSBNPENLAKO-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000853093073 634901517 /nfs/dbraw/zinc/90/15/17/634901517.db2.gz AVFMGCBJGRCXAY-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP Clc1ncccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093427 634901563 /nfs/dbraw/zinc/90/15/63/634901563.db2.gz KIWSSBNPENLAKO-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CON=C(N)CC1CC1 ZINC000853673715 635070036 /nfs/dbraw/zinc/07/00/36/635070036.db2.gz XJSRCSCYQUEETO-CYBMUJFWSA-N 2 0 253.390 2.548 20 0 CFADRP [NH3+][C@H]1C[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000854138338 635226001 /nfs/dbraw/zinc/22/60/01/635226001.db2.gz ZXEIXZFRZTZBFQ-SHTZXODSSA-N 2 0 298.390 2.537 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000854230498 635266342 /nfs/dbraw/zinc/26/63/42/635266342.db2.gz RVEBFFFVLCDZCB-ZYHUDNBSSA-N 2 0 255.793 2.759 20 0 CFADRP CCCCOCCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925491020 635924862 /nfs/dbraw/zinc/92/48/62/635924862.db2.gz UUEBNJPXRPIXBI-ILXRZTDVSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)on1 ZINC000925491819 636020968 /nfs/dbraw/zinc/02/09/68/636020968.db2.gz GIBZNGCDJTYDKO-HNNXBMFYSA-N 2 0 259.353 2.553 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857847627 636032171 /nfs/dbraw/zinc/03/21/71/636032171.db2.gz SWLAZDZXSCQUNT-MRXNPFEDSA-N 2 0 290.455 2.889 20 0 CFADRP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858091935 636123387 /nfs/dbraw/zinc/12/33/87/636123387.db2.gz KKOQVRZMMUBVQS-QWHCGFSZSA-N 2 0 250.386 2.673 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1(C)C ZINC000858104718 636126502 /nfs/dbraw/zinc/12/65/02/636126502.db2.gz UTZJQBXJDXYBMX-GJZGRUSLSA-N 2 0 292.471 2.760 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858108411 636127611 /nfs/dbraw/zinc/12/76/11/636127611.db2.gz FSHGEVFWZGRMSB-INIZCTEOSA-N 3 0 283.504 2.961 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000858245450 636162473 /nfs/dbraw/zinc/16/24/73/636162473.db2.gz INQXEDAQTGFRIE-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOC2CCC2)cc1 ZINC000859213693 636506339 /nfs/dbraw/zinc/50/63/39/636506339.db2.gz ZPNVJIFXOWRVIS-UHFFFAOYSA-N 2 0 276.424 2.749 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCF)cc1 ZINC000859212409 636506642 /nfs/dbraw/zinc/50/66/42/636506642.db2.gz JDVKHVSXQFPZDZ-UHFFFAOYSA-N 2 0 252.377 2.930 20 0 CFADRP COC(=O)CCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213739 636507094 /nfs/dbraw/zinc/50/70/94/636507094.db2.gz QDNQHBGSZYLGQN-UHFFFAOYSA-N 2 0 292.423 2.523 20 0 CFADRP CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212299 636507706 /nfs/dbraw/zinc/50/77/06/636507706.db2.gz MLQQXVUOVRVYGZ-SFHVURJKSA-N 2 0 289.467 2.664 20 0 CFADRP Cc1c(F)nccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000862294879 637315849 /nfs/dbraw/zinc/31/58/49/637315849.db2.gz TVIPGWRWXOCZDP-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000863540384 637688716 /nfs/dbraw/zinc/68/87/16/637688716.db2.gz SYYYLPLHHPNLRC-CQSZACIVSA-N 2 0 275.440 2.938 20 0 CFADRP C[C@@H]([NH2+]CCCCCCc1ccccc1)C1C[NH2+]C1 ZINC000863542832 637690141 /nfs/dbraw/zinc/69/01/41/637690141.db2.gz SPXIBZMNHUYOPU-OAHLLOKOSA-N 2 0 260.425 2.987 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000863642329 637723578 /nfs/dbraw/zinc/72/35/78/637723578.db2.gz XIZPOABNUYVNAY-UHFFFAOYSA-N 2 0 294.398 2.753 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH2+]C1 ZINC000863653793 637727519 /nfs/dbraw/zinc/72/75/19/637727519.db2.gz PPBYGIIFBUNXSJ-LSDHHAIUSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000863690036 637747025 /nfs/dbraw/zinc/74/70/25/637747025.db2.gz ISKOADUTJLARPF-AWEZNQCLSA-N 2 0 296.418 2.638 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864452069 637984719 /nfs/dbraw/zinc/98/47/19/637984719.db2.gz FKZBAEAHKLUAAR-CZUORRHYSA-N 2 0 288.439 2.549 20 0 CFADRP C[C@H]1C[C@@H](Nc2ccncc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000865600924 638451188 /nfs/dbraw/zinc/45/11/88/638451188.db2.gz VJDRTRVPVSWDDQ-VHSXEESVSA-N 2 0 285.313 2.559 20 0 CFADRP C[NH+]1CCC(C)(CNc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865667059 638499309 /nfs/dbraw/zinc/49/93/09/638499309.db2.gz ZJMYIGPTHLPAFH-UHFFFAOYSA-N 2 0 287.329 2.666 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccnc2)CC1 ZINC000865714672 638530213 /nfs/dbraw/zinc/53/02/13/638530213.db2.gz BIDHACUPQHDUKS-UHFFFAOYSA-N 2 0 261.413 2.682 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000865716599 638531265 /nfs/dbraw/zinc/53/12/65/638531265.db2.gz AWDWNRPPWBDFPG-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1(C)C ZINC000865759967 638558224 /nfs/dbraw/zinc/55/82/24/638558224.db2.gz WJONQMGOHGUKSM-JYJNAYRXSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1O ZINC000865765561 638561896 /nfs/dbraw/zinc/56/18/96/638561896.db2.gz AAXUTWAMJGVCRT-UHFFFAOYSA-N 2 0 292.423 2.753 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000865764866 638562425 /nfs/dbraw/zinc/56/24/25/638562425.db2.gz PAZJTZXOAYEGCD-UHFFFAOYSA-N 2 0 290.455 2.572 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC1(C)C ZINC000865776685 638567312 /nfs/dbraw/zinc/56/73/12/638567312.db2.gz GNUAVDWJRBVXKJ-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000866213396 638771629 /nfs/dbraw/zinc/77/16/29/638771629.db2.gz QIRZJNQOPDGGCT-CQSZACIVSA-N 2 0 263.429 2.580 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1cccnc1)C[NH+]1CCCC1 ZINC000866237621 638776982 /nfs/dbraw/zinc/77/69/82/638776982.db2.gz IKLIQBONNQGCOK-HZPDHXFCSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866239872 638777874 /nfs/dbraw/zinc/77/78/74/638777874.db2.gz VWPDKBUCYHQDJY-HNNXBMFYSA-N 2 0 287.451 2.867 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000866313729 638795766 /nfs/dbraw/zinc/79/57/66/638795766.db2.gz GZVXZDOIKGAZMS-MRXNPFEDSA-N 2 0 259.397 2.630 20 0 CFADRP C1CC([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]2CCCO2)C1 ZINC000866351955 638802644 /nfs/dbraw/zinc/80/26/44/638802644.db2.gz UJBXQWZHWFQOGU-OPQOLIRYSA-N 2 0 292.467 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)[C@@H]2CCC[C@H]21 ZINC000866451186 638824686 /nfs/dbraw/zinc/82/46/86/638824686.db2.gz GBNIHDIMJKJVJZ-BTFPBAQTSA-N 2 0 254.393 2.730 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000866467929 638826125 /nfs/dbraw/zinc/82/61/25/638826125.db2.gz UVJOMPITVNHMJD-AYHJJNSGSA-N 3 0 293.499 2.712 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2nccn2C)CC1 ZINC000866467904 638826290 /nfs/dbraw/zinc/82/62/90/638826290.db2.gz UCMAWSBHJVPIPB-CQSZACIVSA-N 2 0 278.444 2.581 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000866468658 638826585 /nfs/dbraw/zinc/82/65/85/638826585.db2.gz HOCSQRKIRFWNHT-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000866468660 638826589 /nfs/dbraw/zinc/82/65/89/638826589.db2.gz HOCSQRKIRFWNHT-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000866470573 638826775 /nfs/dbraw/zinc/82/67/75/638826775.db2.gz ZIIATODBLLYOBE-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866509877 638832542 /nfs/dbraw/zinc/83/25/42/638832542.db2.gz FRPSYNOKAQLYJP-AEFFLSMTSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@H]2CCC[C@H]21 ZINC000866540443 638838608 /nfs/dbraw/zinc/83/86/08/638838608.db2.gz ZOKHIJHJDZRQJS-FLXSYLCISA-N 2 0 292.467 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H](C)C1 ZINC000866542027 638839351 /nfs/dbraw/zinc/83/93/51/638839351.db2.gz DQKHFFHMNAVXBW-RYUDHWBXSA-N 2 0 262.388 2.988 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)OC1 ZINC000866665190 638862688 /nfs/dbraw/zinc/86/26/88/638862688.db2.gz DUDGTNVOCIVUPQ-IXDOHACOSA-N 2 0 294.483 2.903 20 0 CFADRP c1oc(C2CC2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866665918 638863087 /nfs/dbraw/zinc/86/30/87/638863087.db2.gz KUOIOYJUJGDICU-HUUCEWRRSA-N 2 0 289.423 2.764 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1coc(C3CC3)n1)CC[NH2+]CC2 ZINC000866667779 638863648 /nfs/dbraw/zinc/86/36/48/638863648.db2.gz YDPHYSDTJCHUNW-GFCCVEGCSA-N 2 0 275.396 2.516 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1CCCCCC[NH3+] ZINC000866701847 638867727 /nfs/dbraw/zinc/86/77/27/638867727.db2.gz OWGGZBCWYLJFHM-HNNXBMFYSA-N 2 0 261.413 2.804 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000866717699 638869956 /nfs/dbraw/zinc/86/99/56/638869956.db2.gz MWLBNOBHQONCOP-CVEARBPZSA-N 2 0 288.435 2.874 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc2cc[nH]c2c1 ZINC000866717408 638870064 /nfs/dbraw/zinc/87/00/64/638870064.db2.gz DRFKNZWTPZQYSD-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP Cc1cncc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000866720386 638870196 /nfs/dbraw/zinc/87/01/96/638870196.db2.gz KOLVLBGWENZSRR-MRXNPFEDSA-N 2 0 259.397 2.527 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)CC ZINC000872020823 641551798 /nfs/dbraw/zinc/55/17/98/641551798.db2.gz KPWFVOYNHRCNIW-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000872021897 641552470 /nfs/dbraw/zinc/55/24/70/641552470.db2.gz FTGCLPWCJUCRQV-YESZJQIVSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872022328 641553324 /nfs/dbraw/zinc/55/33/24/641553324.db2.gz XJSRNTZRGDCGPY-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](CN[C@@H](C)c1cc(O)ccc1F)C[NH+]1CCCC1 ZINC000872024682 641555290 /nfs/dbraw/zinc/55/52/90/641555290.db2.gz COPHFABUXIFZKI-STQMWFEESA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CCCOC1 ZINC000872028345 641559270 /nfs/dbraw/zinc/55/92/70/641559270.db2.gz JHPORVSLMXEWSU-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000872039982 641574783 /nfs/dbraw/zinc/57/47/83/641574783.db2.gz VMLMLSZUMWIICN-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC(C)(C)C1 ZINC000872041608 641576274 /nfs/dbraw/zinc/57/62/74/641576274.db2.gz VGJSOLHZRDVPJB-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872059724 641592238 /nfs/dbraw/zinc/59/22/38/641592238.db2.gz ILBIIGVVAYFNDT-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCCOC1 ZINC000872062314 641594074 /nfs/dbraw/zinc/59/40/74/641594074.db2.gz LVVZQBLNZXRUSV-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872079056 641611701 /nfs/dbraw/zinc/61/17/01/641611701.db2.gz LCBRRGKCXPVGIL-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000872079966 641613418 /nfs/dbraw/zinc/61/34/18/641613418.db2.gz QYZQSKFSDSNMPA-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872082923 641616823 /nfs/dbraw/zinc/61/68/23/641616823.db2.gz DXKQTIPRTDUIQH-APIJFGDWSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(O)ccc1F ZINC000872083716 641617725 /nfs/dbraw/zinc/61/77/25/641617725.db2.gz NWENXSQMRMZIBV-UTUOFQBUSA-N 2 0 266.360 2.522 20 0 CFADRP COCC[C@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872099271 641628524 /nfs/dbraw/zinc/62/85/24/641628524.db2.gz BIBPMXMSVKKESN-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000872115283 641645782 /nfs/dbraw/zinc/64/57/82/641645782.db2.gz ASZPRZVOBKLQKB-CABCVRRESA-N 2 0 266.429 2.551 20 0 CFADRP c1cnc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000872124406 641652206 /nfs/dbraw/zinc/65/22/06/641652206.db2.gz MTPBMOLDPJCVRL-CVEARBPZSA-N 2 0 281.403 2.951 20 0 CFADRP C[C@H]([NH2+]C1CC(Nc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000872132283 641660333 /nfs/dbraw/zinc/66/03/33/641660333.db2.gz GHHPCLMXSFSEET-NNGSBXSVSA-N 2 0 287.451 2.949 20 0 CFADRP C[N@H+](Cc1noc2c1CC(C)(C)CC2)C1CCC([NH3+])CC1 ZINC000872141820 641669105 /nfs/dbraw/zinc/66/91/05/641669105.db2.gz UZEVWQIOLBOASC-UHFFFAOYSA-N 2 0 291.439 2.891 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000872143838 641670398 /nfs/dbraw/zinc/67/03/98/641670398.db2.gz YFTWFWPOFJLVMS-HRCADAONSA-N 2 0 278.440 2.552 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000872143840 641670568 /nfs/dbraw/zinc/67/05/68/641670568.db2.gz YFTWFWPOFJLVMS-OWCLPIDISA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872145803 641672934 /nfs/dbraw/zinc/67/29/34/641672934.db2.gz ZDVDTEVGJZATHE-YOEHRIQHSA-N 2 0 280.456 2.643 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146368 641673875 /nfs/dbraw/zinc/67/38/75/641673875.db2.gz MIICPGSCAFKZKS-CABCVRRESA-N 2 0 290.455 2.712 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000872146533 641674685 /nfs/dbraw/zinc/67/46/85/641674685.db2.gz PXUAPFPKWACDTQ-INIZCTEOSA-N 2 0 280.387 2.798 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCCc3ccc(F)cc31)C2 ZINC000872154190 641675433 /nfs/dbraw/zinc/67/54/33/641675433.db2.gz MQFWPQIXIUIPSV-RRQGHBQHSA-N 2 0 274.383 2.744 20 0 CFADRP Cn1nccc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158634 641678972 /nfs/dbraw/zinc/67/89/72/641678972.db2.gz WKKYJWLRASTMRK-RHSMWYFYSA-N 2 0 290.455 2.540 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000872227217 641709931 /nfs/dbraw/zinc/70/99/31/641709931.db2.gz BJAVKPKPZZUBKZ-PWZRNIHTSA-N 2 0 294.414 2.712 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cnc1Cl ZINC000872250776 641717687 /nfs/dbraw/zinc/71/76/87/641717687.db2.gz BHWHGBGGQRVAQD-CYBMUJFWSA-N 2 0 281.831 2.911 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252175 641717963 /nfs/dbraw/zinc/71/79/63/641717963.db2.gz QRCOLPJWIJTJPZ-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000872251555 641718019 /nfs/dbraw/zinc/71/80/19/641718019.db2.gz MEGNEQMNINBTQM-GFCCVEGCSA-N 2 0 267.804 2.603 20 0 CFADRP c1cnc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000873012014 641984470 /nfs/dbraw/zinc/98/44/70/641984470.db2.gz AQSORZBRHURRDY-AWEZNQCLSA-N 2 0 281.403 2.809 20 0 CFADRP c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)no1 ZINC000873073177 642004177 /nfs/dbraw/zinc/00/41/77/642004177.db2.gz LNNYWZKJPJDGBU-UHFFFAOYSA-N 2 0 263.385 2.561 20 0 CFADRP OCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCCCC1 ZINC000873200407 642064809 /nfs/dbraw/zinc/06/48/09/642064809.db2.gz AJBGWTBMRZBNKD-UHFFFAOYSA-N 2 0 294.464 2.521 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+]C3CCC([NH3+])CC3)n2)cc1 ZINC000873210132 642068774 /nfs/dbraw/zinc/06/87/74/642068774.db2.gz WOVWMHXAYNUDJC-UHFFFAOYSA-N 2 0 296.418 2.690 20 0 CFADRP Fc1ccc(CC[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210953 642069489 /nfs/dbraw/zinc/06/94/89/642069489.db2.gz FCENGMLXYVIVGK-UHFFFAOYSA-N 2 0 290.407 2.865 20 0 CFADRP Cc1cc(N)cc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873213357 642070787 /nfs/dbraw/zinc/07/07/87/642070787.db2.gz WHJXBLNXAASOJT-UHFFFAOYSA-N 2 0 287.432 2.574 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873217912 642071629 /nfs/dbraw/zinc/07/16/29/642071629.db2.gz UKMQMXNXEHNINV-ZQNQSHIBSA-N 2 0 254.393 2.777 20 0 CFADRP C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccsc1)C1CC[NH2+]CC1 ZINC000873220114 642073064 /nfs/dbraw/zinc/07/30/64/642073064.db2.gz JRHZPRWVKRJDNV-LLVKDONJSA-N 2 0 290.436 2.616 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000873221079 642074124 /nfs/dbraw/zinc/07/41/24/642074124.db2.gz ZWFZHKVXOJNDHV-CABCVRRESA-N 2 0 260.425 2.843 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1CC[NH2+]CC1 ZINC000873221110 642074180 /nfs/dbraw/zinc/07/41/80/642074180.db2.gz LJUMHPRFHLZUIP-CYBMUJFWSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873220252 642074486 /nfs/dbraw/zinc/07/44/86/642074486.db2.gz HUKGGTPWYXLEJM-WQVCFCJDSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000873222176 642075182 /nfs/dbraw/zinc/07/51/82/642075182.db2.gz DPOMLABBOYZDGC-JTQLQIEISA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000873221696 642075251 /nfs/dbraw/zinc/07/52/51/642075251.db2.gz NRULNLZJJLIBEE-SNVBAGLBSA-N 2 0 270.779 2.957 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000873223202 642076804 /nfs/dbraw/zinc/07/68/04/642076804.db2.gz ITIFMALBQMCWNF-KRWDZBQOSA-N 2 0 291.439 2.677 20 0 CFADRP COCCC1([NH2+]C[C@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000873225479 642078719 /nfs/dbraw/zinc/07/87/19/642078719.db2.gz ZPUOHALWVUXLFJ-HNNXBMFYSA-N 2 0 282.472 2.951 20 0 CFADRP COCCC1([NH2+]C[C@H]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000873225619 642079697 /nfs/dbraw/zinc/07/96/97/642079697.db2.gz VRRANGKTQNXRNU-CABCVRRESA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@@H]1C(F)(F)F ZINC000873227662 642080216 /nfs/dbraw/zinc/08/02/16/642080216.db2.gz KNUMFIYSKHWAHN-ZFWWWQNUSA-N 2 0 298.352 2.744 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000873227035 642080452 /nfs/dbraw/zinc/08/04/52/642080452.db2.gz GBNWINSOQOQZOS-PBHICJAKSA-N 2 0 290.455 2.712 20 0 CFADRP c1ccc(OCCCC[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873231997 642085339 /nfs/dbraw/zinc/08/53/39/642085339.db2.gz SLVOQODOWARXCS-IRXDYDNUSA-N 2 0 274.408 2.720 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1scnc1C1CC1 ZINC000873231807 642085904 /nfs/dbraw/zinc/08/59/04/642085904.db2.gz WDQHALWZVNGGCZ-UHFFFAOYSA-N 2 0 267.442 2.971 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)nc1 ZINC000873233081 642086207 /nfs/dbraw/zinc/08/62/07/642086207.db2.gz ZMGKTBXSOPXHFC-INIZCTEOSA-N 2 0 273.424 2.792 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232455 642086259 /nfs/dbraw/zinc/08/62/59/642086259.db2.gz QEEAULPYPSEKHP-RDJZCZTQSA-N 3 0 295.515 2.994 20 0 CFADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232812 642086844 /nfs/dbraw/zinc/08/68/44/642086844.db2.gz YYMRTSWMSFYXFO-HOCLYGCPSA-N 2 0 290.455 2.838 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000873241624 642091027 /nfs/dbraw/zinc/09/10/27/642091027.db2.gz HQHLRLCKNKZJHU-RBSFLKMASA-N 2 0 277.387 2.621 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccnc1Cl ZINC000873240749 642091091 /nfs/dbraw/zinc/09/10/91/642091091.db2.gz RACKDLQAXKCTEH-IJLUTSLNSA-N 2 0 267.804 2.903 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000873242171 642091523 /nfs/dbraw/zinc/09/15/23/642091523.db2.gz MNDOIBSRIKMOMD-DLBZAZTESA-N 3 0 281.488 2.604 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCC23CCOCC3)c2ccccc21 ZINC000873249492 642095641 /nfs/dbraw/zinc/09/56/41/642095641.db2.gz BBTSCNIEAGVARY-XYPHTWIQSA-N 2 0 286.419 2.928 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000873250938 642096541 /nfs/dbraw/zinc/09/65/41/642096541.db2.gz SBNOSCAWFPXASP-NXOAAHMSSA-N 2 0 258.409 2.725 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000873250742 642097176 /nfs/dbraw/zinc/09/71/76/642097176.db2.gz ISBPCIQADNZLLA-UKMLZYKCSA-N 2 0 258.409 2.896 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CC3 ZINC000873251754 642097446 /nfs/dbraw/zinc/09/74/46/642097446.db2.gz NXSNWDFUBHCSBM-HZSPNIEDSA-N 2 0 283.419 2.661 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCSCCC(F)(F)F)C1 ZINC000873251860 642097784 /nfs/dbraw/zinc/09/77/84/642097784.db2.gz LZGWTRYVSCCPJY-NXEZZACHSA-N 2 0 270.364 2.532 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000873252638 642098948 /nfs/dbraw/zinc/09/89/48/642098948.db2.gz UIIWHZXSCQJRJD-WCXIOVBPSA-N 2 0 258.409 2.725 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252647 642099010 /nfs/dbraw/zinc/09/90/10/642099010.db2.gz URWCAGIWTCRYKM-BBWFWOEESA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000873254212 642100272 /nfs/dbraw/zinc/10/02/72/642100272.db2.gz NLBXSLSAFXXVCN-JBLDHEPKSA-N 2 0 288.313 2.973 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253742 642100278 /nfs/dbraw/zinc/10/02/78/642100278.db2.gz DJMFSTVLYHCKDD-COMQUAJESA-N 2 0 262.397 2.514 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000873255064 642100750 /nfs/dbraw/zinc/10/07/50/642100750.db2.gz FAMIBGTVGRUQDJ-JBLDHEPKSA-N 2 0 270.323 2.676 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255126 642100774 /nfs/dbraw/zinc/10/07/74/642100774.db2.gz DJMFSTVLYHCKDD-QVHKTLOISA-N 2 0 262.397 2.514 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000873255142 642100801 /nfs/dbraw/zinc/10/08/01/642100801.db2.gz DVKRIRQBIZGLEI-WBIUFABUSA-N 2 0 289.379 2.557 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254932 642100994 /nfs/dbraw/zinc/10/09/94/642100994.db2.gz BNIAEXNKHSDCBD-GVXVVHGQSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000873256281 642101840 /nfs/dbraw/zinc/10/18/40/642101840.db2.gz MONJODFCAIGMOI-NHCYSSNCSA-N 2 0 250.411 2.625 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CCCO2 ZINC000873255987 642101976 /nfs/dbraw/zinc/10/19/76/642101976.db2.gz KQDPAXTVFFEAMH-IIAWOOMASA-N 2 0 274.408 2.844 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Br ZINC000873257362 642102705 /nfs/dbraw/zinc/10/27/05/642102705.db2.gz TUZMQQIKPAHHJL-MXWKQRLJSA-N 2 0 283.213 2.837 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1Br ZINC000873258733 642103325 /nfs/dbraw/zinc/10/33/25/642103325.db2.gz TUZMQQIKPAHHJL-GMTAPVOTSA-N 2 0 283.213 2.837 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257842 642103643 /nfs/dbraw/zinc/10/36/43/642103643.db2.gz VGRSXWXTMDLOSR-MPKXVKKWSA-N 2 0 286.341 2.963 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263352 642107133 /nfs/dbraw/zinc/10/71/33/642107133.db2.gz IQUHOWJGLHIWIR-UGQVUOCMSA-N 2 0 273.424 2.825 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000873263315 642107168 /nfs/dbraw/zinc/10/71/68/642107168.db2.gz IBAGBTZNKKLOFS-FWXGHANASA-N 2 0 250.430 2.931 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1N(C)C ZINC000873265163 642108315 /nfs/dbraw/zinc/10/83/15/642108315.db2.gz USEQDKAMEYBLIJ-JONQDZQNSA-N 2 0 287.451 2.934 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc2ccccc2n1C ZINC000873265300 642108425 /nfs/dbraw/zinc/10/84/25/642108425.db2.gz UVBZSWPHOHPPSI-XQLPTFJDSA-N 2 0 298.434 2.755 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265694 642109390 /nfs/dbraw/zinc/10/93/90/642109390.db2.gz WXHSXDLFVRTAHK-JKJDWNRSSA-N 2 0 250.430 2.931 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268321 642111288 /nfs/dbraw/zinc/11/12/88/642111288.db2.gz UWTYTNVGNRKSSJ-CXAGYDPISA-N 2 0 258.409 2.960 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC[NH2+]CC1 ZINC000873269553 642111874 /nfs/dbraw/zinc/11/18/74/642111874.db2.gz RREHLMZOHBUUMD-SJKOYZFVSA-N 2 0 274.408 2.747 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873271518 642112686 /nfs/dbraw/zinc/11/26/86/642112686.db2.gz IIBREYNPUBNDKM-QEJZJMRPSA-N 2 0 268.445 2.556 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873272105 642113603 /nfs/dbraw/zinc/11/36/03/642113603.db2.gz OPUVKLWCZMZYIX-CWRNSKLLSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272096 642113649 /nfs/dbraw/zinc/11/36/49/642113649.db2.gz OGQVCUUPRQZSGR-RYUDHWBXSA-N 2 0 258.475 2.884 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272719 642113694 /nfs/dbraw/zinc/11/36/94/642113694.db2.gz AXHJMOPMQPKTES-LMLFDSFASA-N 2 0 250.308 2.599 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271991 642113731 /nfs/dbraw/zinc/11/37/31/642113731.db2.gz NIBVPWVBEWXVCE-GJZGRUSLSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272095 642113743 /nfs/dbraw/zinc/11/37/43/642113743.db2.gz OGQVCUUPRQZSGR-NEPJUHHUSA-N 2 0 258.475 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1F ZINC000873289483 642121900 /nfs/dbraw/zinc/12/19/00/642121900.db2.gz IKJCOMJEEAWEIV-KBPBESRZSA-N 2 0 292.398 2.635 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000873289323 642121928 /nfs/dbraw/zinc/12/19/28/642121928.db2.gz HIAMOFQZFYORAJ-BRWVUGGUSA-N 2 0 291.414 2.808 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000873289326 642122464 /nfs/dbraw/zinc/12/24/64/642122464.db2.gz HIAMOFQZFYORAJ-YESZJQIVSA-N 2 0 291.414 2.808 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1C ZINC000873290868 642123167 /nfs/dbraw/zinc/12/31/67/642123167.db2.gz BJHSTWMOCUXKGE-WCVJEAGWSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291461 642123944 /nfs/dbraw/zinc/12/39/44/642123944.db2.gz HBEQXIQXEORGSX-QKPAOTATSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)C1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291206 642124050 /nfs/dbraw/zinc/12/40/50/642124050.db2.gz VRQRIDMLXHPYKT-OFLPRAFFSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293877 642124742 /nfs/dbraw/zinc/12/47/42/642124742.db2.gz RFNOKGAPAQTWMC-OAGGEKHMSA-N 2 0 280.456 2.704 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCC[NH+](CC)CC)CC1 ZINC000019914766 642204161 /nfs/dbraw/zinc/20/41/61/642204161.db2.gz CGONXJNOAKVDOF-INIZCTEOSA-N 3 0 283.504 2.961 20 0 CFADRP CC(C)[C@@H](C(=O)OCCCCC[NH+](C)C)[NH+]1CCCCC1 ZINC000125056559 642414096 /nfs/dbraw/zinc/41/40/96/642414096.db2.gz JFZOCIWIUSFZMJ-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000084217989 650773381 /nfs/dbraw/zinc/77/33/81/650773381.db2.gz KITUKIQGQKEZMZ-AAEUAGOBSA-N 2 0 283.213 2.666 20 0 CFADRP C[NH+]1CCC(N2CCC([NH2+]CC3(C)CCCC3)CC2)CC1 ZINC000876992280 643096319 /nfs/dbraw/zinc/09/63/19/643096319.db2.gz RKMVIMGBWHCJEI-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000126298413 643109198 /nfs/dbraw/zinc/10/91/98/643109198.db2.gz UQCZCMINJSVQLO-CYBMUJFWSA-N 2 0 292.471 2.939 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877525028 643327740 /nfs/dbraw/zinc/32/77/40/643327740.db2.gz OHHPIFIREXLVBB-MNOVXSKESA-N 2 0 265.228 2.500 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000877528472 643332242 /nfs/dbraw/zinc/33/22/42/643332242.db2.gz BDQYPRSOLBFQNV-QWHCGFSZSA-N 2 0 291.266 2.844 20 0 CFADRP CSC1(C[NH2+]CC2(C)CCCC2)CC[NH+](C)CC1 ZINC000877539015 643341387 /nfs/dbraw/zinc/34/13/87/643341387.db2.gz IYFBFIHNOVKKDS-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@H]1CC1(Cl)Cl)C1CC1 ZINC000877577228 643374440 /nfs/dbraw/zinc/37/44/40/643374440.db2.gz CKVXQVPXCMSCQO-SNVBAGLBSA-N 2 0 265.228 2.644 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877584063 643378490 /nfs/dbraw/zinc/37/84/90/643378490.db2.gz BWLVTFFOOLDAET-GHMZBOCLSA-N 2 0 265.228 2.502 20 0 CFADRP CCC[C@H](C)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877663855 643440475 /nfs/dbraw/zinc/44/04/75/643440475.db2.gz BXCKGMNVIXTLOR-HNNXBMFYSA-N 2 0 270.461 2.713 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684363 643453743 /nfs/dbraw/zinc/45/37/43/643453743.db2.gz NPBUUVWYJNJEGG-JKSUJKDBSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000877698308 643460561 /nfs/dbraw/zinc/46/05/61/643460561.db2.gz XCJXGAGQFXMJGO-DZGCQCFKSA-N 2 0 270.486 2.981 20 0 CFADRP Cc1ncc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)o1 ZINC000877718837 643482086 /nfs/dbraw/zinc/48/20/86/643482086.db2.gz VTNBOMVDWZPWJW-UHFFFAOYSA-N 2 0 299.418 2.736 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)C1CCCCC1 ZINC000877741633 643511305 /nfs/dbraw/zinc/51/13/05/643511305.db2.gz WKKQHVFUEOJMPH-GVDBMIGSSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3CCC4)CC[C@H]21 ZINC000877743298 643516772 /nfs/dbraw/zinc/51/67/72/643516772.db2.gz VFAHRNASFPSXSK-SJLPKXTDSA-N 2 0 270.420 2.701 20 0 CFADRP CC(C)C[N@H+](C[C@H]1C[C@@H]1C)CC1CC[NH+](C)CC1 ZINC000877767744 643546900 /nfs/dbraw/zinc/54/69/00/643546900.db2.gz VWLUDWPJDGQJDU-GOEBONIOSA-N 2 0 252.446 2.942 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC2CCOCC2)CC1 ZINC000877795309 643560846 /nfs/dbraw/zinc/56/08/46/643560846.db2.gz GFKCIZFJZIPLET-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000877959897 643664147 /nfs/dbraw/zinc/66/41/47/643664147.db2.gz UUXJURVKQWDQMV-CYBMUJFWSA-N 2 0 268.445 2.606 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)O1 ZINC000878123772 643748891 /nfs/dbraw/zinc/74/88/91/643748891.db2.gz FMKNXZYIPNYMJR-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C(C)(C)O1 ZINC000878126022 643749909 /nfs/dbraw/zinc/74/99/09/643749909.db2.gz UDMUTZKMXWEGRG-CVEARBPZSA-N 2 0 294.483 2.998 20 0 CFADRP C(CC1CC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878132646 643752873 /nfs/dbraw/zinc/75/28/73/643752873.db2.gz AXKNYAVROMUWJE-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)OC1 ZINC000878133791 643753953 /nfs/dbraw/zinc/75/39/53/643753953.db2.gz MQWYKVONXCDDAZ-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878157152 643765329 /nfs/dbraw/zinc/76/53/29/643765329.db2.gz WPCCCXHBWAGJFC-DLBZAZTESA-N 2 0 294.483 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC(C)(C)O2)[C@H](C)C1 ZINC000878258860 643811404 /nfs/dbraw/zinc/81/14/04/643811404.db2.gz WEHAOOJFWBTFCS-OAGGEKHMSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(C)(C)CO2)[C@@H](C)C1 ZINC000878259109 643812733 /nfs/dbraw/zinc/81/27/33/643812733.db2.gz ZBGVJNHPWFSAEH-XHSDSOJGSA-N 2 0 282.472 2.854 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCCOC(F)(F)F)C2)CC1 ZINC000878549588 643937916 /nfs/dbraw/zinc/93/79/16/643937916.db2.gz LRCBMELAXMQUPF-UHFFFAOYSA-N 2 0 294.361 2.721 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878644639 643971347 /nfs/dbraw/zinc/97/13/47/643971347.db2.gz ANLBAQNWIDADRT-KGLIPLIRSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878652990 643976435 /nfs/dbraw/zinc/97/64/35/643976435.db2.gz WKWABETWEHLDCE-MAUKXSAKSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCC(C)(C)CO1)C2 ZINC000878663136 643981876 /nfs/dbraw/zinc/98/18/76/643981876.db2.gz WAQNJKKRWFUULR-RDJZCZTQSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000878670401 643985752 /nfs/dbraw/zinc/98/57/52/643985752.db2.gz KMPKLALLHQYSMM-HNNXBMFYSA-N 2 0 284.488 2.741 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000879201909 644174540 /nfs/dbraw/zinc/17/45/40/644174540.db2.gz ALMDXDIOKUNCIA-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1 ZINC000879208633 644176035 /nfs/dbraw/zinc/17/60/35/644176035.db2.gz CAXXSDHCNRPDKD-CVEARBPZSA-N 2 0 280.456 2.894 20 0 CFADRP Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000091306306 650897679 /nfs/dbraw/zinc/89/76/79/650897679.db2.gz RFYHUSACDMPJLI-AEFFLSMTSA-N 2 0 290.451 2.738 20 0 CFADRP COC1(CC[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCC1 ZINC000879250292 644195083 /nfs/dbraw/zinc/19/50/83/644195083.db2.gz CAUUFTZMJSNTFU-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCn1nc(C[N@H+](C)C2CCC([NH3+])CC2)c2ccccc21 ZINC000091847362 650910347 /nfs/dbraw/zinc/91/03/47/650910347.db2.gz UWXGHPYDMQYSHI-UHFFFAOYSA-N 2 0 286.423 2.758 20 0 CFADRP CCOc1ccccc1OCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847197 650910844 /nfs/dbraw/zinc/91/08/44/650910844.db2.gz SNZAMKMHVBZNPS-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP COCCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702280 644387975 /nfs/dbraw/zinc/38/79/75/644387975.db2.gz IWZYKUHTKWXEJT-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP CCOC(=O)CCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702459 644388238 /nfs/dbraw/zinc/38/82/38/644388238.db2.gz LUSTVNXOUUAQCV-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP CC(C)C[N@H+](C[C@@H](O)C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879703610 644389075 /nfs/dbraw/zinc/38/90/75/644389075.db2.gz PYQUEZPSQXYZSG-MRXNPFEDSA-N 2 0 284.488 2.693 20 0 CFADRP COC(=O)CCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703802 644389282 /nfs/dbraw/zinc/38/92/82/644389282.db2.gz XWULQVDHRWJSRH-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP CC(C)C[N@H+](C[C@H]1CCO[C@@H]1C)CC1CC[NH+](C)CC1 ZINC000879706593 644391216 /nfs/dbraw/zinc/39/12/16/644391216.db2.gz ZOKVBGDQAKIKFT-NVXWUHKLSA-N 2 0 282.472 2.711 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734245 644401255 /nfs/dbraw/zinc/40/12/55/644401255.db2.gz GYSSQGQNIDHGPG-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP Cc1csc([C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000880009032 644498135 /nfs/dbraw/zinc/49/81/35/644498135.db2.gz ITPMPWDFMAYVDM-ZIAGYGMSSA-N 2 0 279.453 2.725 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452485 650939953 /nfs/dbraw/zinc/93/99/53/650939953.db2.gz HYQMSTJMRXYDMR-OKZBNKHCSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000093515841 650941262 /nfs/dbraw/zinc/94/12/62/650941262.db2.gz LJZGCGYRRGHYAL-OIISXLGYSA-N 2 0 288.435 2.891 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1 ZINC000880372105 644673666 /nfs/dbraw/zinc/67/36/66/644673666.db2.gz SFUDCVUUNDXYEE-MSOLQXFVSA-N 2 0 290.451 2.699 20 0 CFADRP CC[N@H+](CCCn1ccnc1C)[C@H](CO)c1ccccc1 ZINC000880464868 644723300 /nfs/dbraw/zinc/72/33/00/644723300.db2.gz WFVSBXSYIIBOSA-QGZVFWFLSA-N 2 0 287.407 2.637 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnc(Cl)cn1 ZINC000880517386 644747702 /nfs/dbraw/zinc/74/77/02/644747702.db2.gz PSACMHVKVGLQMJ-UHFFFAOYSA-N 2 0 296.846 2.828 20 0 CFADRP COc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)nc1 ZINC000880517881 644747874 /nfs/dbraw/zinc/74/78/74/644747874.db2.gz YIXKYNITYSNWSC-UHFFFAOYSA-N 2 0 291.439 2.788 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880579455 644776945 /nfs/dbraw/zinc/77/69/45/644776945.db2.gz WPLRKEXVPAFRIR-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250098520 650971202 /nfs/dbraw/zinc/97/12/02/650971202.db2.gz VJCVKKNSKRXOLB-DZGCQCFKSA-N 2 0 264.438 2.755 20 0 CFADRP c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(C2CC2)c1 ZINC000250085267 650971598 /nfs/dbraw/zinc/97/15/98/650971598.db2.gz SRMMMAFBAAISQS-ZWKOTPCHSA-N 2 0 286.419 2.517 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250166048 650972025 /nfs/dbraw/zinc/97/20/25/650972025.db2.gz HYQMSTJMRXYDMR-KZNAEPCWSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000251172201 650984986 /nfs/dbraw/zinc/98/49/86/650984986.db2.gz FGLIUTWCRDGMCF-QZWWFDLISA-N 2 0 279.472 2.514 20 0 CFADRP OC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000251086988 650983533 /nfs/dbraw/zinc/98/35/33/650983533.db2.gz HVTWPRROZKEJHF-BZUAXINKSA-N 2 0 280.456 2.582 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000251493449 650989331 /nfs/dbraw/zinc/98/93/31/650989331.db2.gz DEBPSIPCEAOASA-XKQJLSEDSA-N 2 0 286.419 2.899 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000130180449 645466849 /nfs/dbraw/zinc/46/68/49/645466849.db2.gz DEBPSIPCEAOASA-RRQGHBQHSA-N 2 0 286.419 2.899 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252686414 651017677 /nfs/dbraw/zinc/01/76/77/651017677.db2.gz JRAIFWJMPAIOII-SJORKVTESA-N 2 0 281.403 2.951 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000252698572 651018890 /nfs/dbraw/zinc/01/88/90/651018890.db2.gz NSYKICOROIQBQM-HUUCEWRRSA-N 2 0 292.423 2.523 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883034242 645574477 /nfs/dbraw/zinc/57/44/77/645574477.db2.gz ORSIFASSOSBYLI-JJXSEGSLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cccc2c1CCOC2 ZINC000883164838 645633748 /nfs/dbraw/zinc/63/37/48/645633748.db2.gz PHETXOHBMXWGGY-INIZCTEOSA-N 2 0 288.435 2.722 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000883172584 645639445 /nfs/dbraw/zinc/63/94/45/645639445.db2.gz MKPZTZSZUCZVDT-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]1SCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000253085758 651036420 /nfs/dbraw/zinc/03/64/20/651036420.db2.gz ZXITUANWSJNHEV-FIBILERRSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000883273723 645714953 /nfs/dbraw/zinc/71/49/53/645714953.db2.gz REEAGUYOLJCLPN-AGIUHOORSA-N 2 0 260.372 2.884 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000253180046 651039256 /nfs/dbraw/zinc/03/92/56/651039256.db2.gz DFPOWPSWAFSYMA-TZMCWYRMSA-N 2 0 264.438 2.825 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000131579336 645754750 /nfs/dbraw/zinc/75/47/50/645754750.db2.gz AWZBYYLDDJPYAM-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP Cc1ccc2cc(C[NH2+]C3CCC([NH3+])CC3)ccc2n1 ZINC000097861614 651045802 /nfs/dbraw/zinc/04/58/02/651045802.db2.gz FTDNYPRKLADWDU-UHFFFAOYSA-N 2 0 269.392 2.903 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000883412181 645807728 /nfs/dbraw/zinc/80/77/28/645807728.db2.gz SKQWOJQXVZFCRU-QGZVFWFLSA-N 2 0 258.409 2.997 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883417633 645811646 /nfs/dbraw/zinc/81/16/46/645811646.db2.gz IEKBAQOYVHNGAF-XOYOTBSWSA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@@H]21 ZINC000883425471 645819603 /nfs/dbraw/zinc/81/96/03/645819603.db2.gz VGCBIDQSFQJUMO-ZOBORPQBSA-N 2 0 272.383 2.871 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000883427782 645820366 /nfs/dbraw/zinc/82/03/66/645820366.db2.gz BWDVHWWJSJRHCJ-CYBMUJFWSA-N 2 0 272.383 2.887 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883427548 645821085 /nfs/dbraw/zinc/82/10/85/645821085.db2.gz VIKMMLISFOIMQB-BZZMCLGOSA-N 2 0 288.435 2.966 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429632 645824453 /nfs/dbraw/zinc/82/44/53/645824453.db2.gz ANYVJUALWWFHOK-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429587 645824549 /nfs/dbraw/zinc/82/45/49/645824549.db2.gz ZOJDAJWULFRHSL-ZACQAIPSSA-N 2 0 292.467 2.800 20 0 CFADRP c1csc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000883448480 645836760 /nfs/dbraw/zinc/83/67/60/645836760.db2.gz GLULUXJCFGYMPC-OAHLLOKOSA-N 2 0 299.443 2.778 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(C)C ZINC000883460773 645844326 /nfs/dbraw/zinc/84/43/26/645844326.db2.gz GDYVYGJNMHOQHL-OAHLLOKOSA-N 2 0 298.471 2.533 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000883462770 645845158 /nfs/dbraw/zinc/84/51/58/645845158.db2.gz ZJEBEXGMRPAGKW-GOSISDBHSA-N 2 0 294.483 2.905 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1C[C@H]1CNCCO1 ZINC000883462594 645845231 /nfs/dbraw/zinc/84/52/31/645845231.db2.gz VALIVJOFBLWAKK-DJIMGWMZSA-N 2 0 288.435 2.631 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000883464490 645846250 /nfs/dbraw/zinc/84/62/50/645846250.db2.gz OGNRUHVELQVFDK-XJKSGUPXSA-N 2 0 273.424 2.911 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000097989298 651056599 /nfs/dbraw/zinc/05/65/99/651056599.db2.gz BETLAPOYHZJSTK-GOSISDBHSA-N 2 0 290.451 2.610 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000925481919 645991379 /nfs/dbraw/zinc/99/13/79/645991379.db2.gz OYSQUUBBYSYGCP-HOTGVXAUSA-N 2 0 258.409 2.705 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000134850558 646392060 /nfs/dbraw/zinc/39/20/60/646392060.db2.gz LJGRFORDAVFZEF-YMAMQOFZSA-N 2 0 264.800 2.667 20 0 CFADRP OC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000134879994 646393745 /nfs/dbraw/zinc/39/37/45/646393745.db2.gz KWAGNRDFZVDUJF-NVXWUHKLSA-N 2 0 292.467 2.630 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885962536 646785849 /nfs/dbraw/zinc/78/58/49/646785849.db2.gz BFNQXZZFONSYOZ-IRXDYDNUSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886030629 646829917 /nfs/dbraw/zinc/82/99/17/646829917.db2.gz PUJXFLFJENNBDW-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOC3CCCCC3)CC[C@@H]21 ZINC000886044407 646840074 /nfs/dbraw/zinc/84/00/74/646840074.db2.gz WHQMHPFLQCZYFE-RDJZCZTQSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000886091551 646862500 /nfs/dbraw/zinc/86/25/00/646862500.db2.gz COYRLCIOHUEPTD-ROUUACIJSA-N 2 0 288.435 2.607 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886100427 646872017 /nfs/dbraw/zinc/87/20/17/646872017.db2.gz NFTXYDGBIIKQTK-ROUUACIJSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000886281355 646950658 /nfs/dbraw/zinc/95/06/58/646950658.db2.gz WUIKLWVYLZGDMA-QKGCVVFFSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000886501301 647021298 /nfs/dbraw/zinc/02/12/98/647021298.db2.gz FESFACRYOBAIRP-SOEBMCCKSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H](Cn1ccnc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886503026 647022578 /nfs/dbraw/zinc/02/25/78/647022578.db2.gz YKVTYJPFFJPPGL-GTPINHCMSA-N 2 0 290.455 2.658 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCOCC2)CC1 ZINC000886507516 647023441 /nfs/dbraw/zinc/02/34/41/647023441.db2.gz NTJUOTBWWJWXSR-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP CO[C@@H](C)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520392 647026689 /nfs/dbraw/zinc/02/66/89/647026689.db2.gz CYNUBHUEJJNCAO-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000886525101 647029410 /nfs/dbraw/zinc/02/94/10/647029410.db2.gz XINCEXHMVGIJDL-PCKAHOCUSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000886536876 647035888 /nfs/dbraw/zinc/03/58/88/647035888.db2.gz PXNAXLKJHYRXBD-JYJNAYRXSA-N 2 0 278.444 2.580 20 0 CFADRP C[C@H]1OCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886558965 647046280 /nfs/dbraw/zinc/04/62/80/647046280.db2.gz WRWIFAGDXBRTBB-CIDNJEQPSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000886623780 647073971 /nfs/dbraw/zinc/07/39/71/647073971.db2.gz NUXJSZZJIMSZPQ-MRXNPFEDSA-N 2 0 278.444 2.581 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000886626811 647075297 /nfs/dbraw/zinc/07/52/97/647075297.db2.gz LLLGKZMZBCVFRP-PBHCIXSXSA-N 2 0 294.483 2.924 20 0 CFADRP c1cnc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000886640416 647083051 /nfs/dbraw/zinc/08/30/51/647083051.db2.gz YSCGJPPDRUBMTO-QGZVFWFLSA-N 2 0 285.435 2.781 20 0 CFADRP CC[NH+](CC)CCCN1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662817 647096063 /nfs/dbraw/zinc/09/60/63/647096063.db2.gz MMWVKMWDXRGCIC-UHFFFAOYSA-N 3 0 292.471 2.938 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000886701450 647116976 /nfs/dbraw/zinc/11/69/76/647116976.db2.gz PVMYQFPGVDCQNJ-HNNXBMFYSA-N 2 0 280.456 2.798 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1 ZINC000886718127 647121348 /nfs/dbraw/zinc/12/13/48/647121348.db2.gz RHKGRDSGQDAMGQ-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP COc1ccc(F)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000886723643 647122108 /nfs/dbraw/zinc/12/21/08/647122108.db2.gz GVRFNFQDNIHZQO-MQVJKMGUSA-N 2 0 292.398 2.592 20 0 CFADRP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838358 647158303 /nfs/dbraw/zinc/15/83/03/647158303.db2.gz VWXZAHYUFBMDML-BDXSIMOUSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1)CC[NH2+]CC2 ZINC000886840255 647159145 /nfs/dbraw/zinc/15/91/45/647159145.db2.gz XURSZDSZSPMKDV-IMJJTQAJSA-N 2 0 262.441 2.887 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839474 647159422 /nfs/dbraw/zinc/15/94/22/647159422.db2.gz FOCJWACLOXAYMH-NCOADZHNSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCSC(F)(F)F)CC[NH2+]CC2 ZINC000886839573 647159438 /nfs/dbraw/zinc/15/94/38/647159438.db2.gz HUQWLMJOJHRYKV-JTQLQIEISA-N 2 0 282.375 2.703 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000886840350 647159835 /nfs/dbraw/zinc/15/98/35/647159835.db2.gz ZTWQOWBMLYDWNR-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP C([C@H]1CC[C@H](C2CC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000886841619 647160385 /nfs/dbraw/zinc/16/03/85/647160385.db2.gz QWBZAUFCPJPYFU-KZNAEPCWSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886841663 647160445 /nfs/dbraw/zinc/16/04/45/647160445.db2.gz ROQVOMKTYCVEFG-ZOBUZTSGSA-N 2 0 280.456 2.641 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000886860117 647162826 /nfs/dbraw/zinc/16/28/26/647162826.db2.gz RVCBWLHAVUCHSH-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886874195 647164964 /nfs/dbraw/zinc/16/49/64/647164964.db2.gz INPNJAMNHHQMGP-UONOGXRCSA-N 2 0 272.383 2.887 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000886871958 647165807 /nfs/dbraw/zinc/16/58/07/647165807.db2.gz GGHXSDZUQCOYGK-OAHLLOKOSA-N 2 0 279.453 2.726 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000887132858 647222480 /nfs/dbraw/zinc/22/24/80/647222480.db2.gz OROUPZSWGGQSAE-HOCLYGCPSA-N 2 0 257.381 2.701 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133249 647222555 /nfs/dbraw/zinc/22/25/55/647222555.db2.gz XHQUEBCRZHTSMR-GJZGRUSLSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222046530 647241816 /nfs/dbraw/zinc/24/18/16/647241816.db2.gz XYXDEQAGJXBTNB-KBRIMQKVSA-N 2 0 276.399 2.973 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000223211140 647353558 /nfs/dbraw/zinc/35/35/58/647353558.db2.gz SNLGZLQFKKHONZ-ZDUSSCGKSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925498526 647861802 /nfs/dbraw/zinc/86/18/02/647861802.db2.gz QDSTUOREDOCKRJ-QLFBSQMISA-N 2 0 273.424 2.947 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925496094 647869985 /nfs/dbraw/zinc/86/99/85/647869985.db2.gz XFNBCQMQFQGROR-ZIAGYGMSSA-N 2 0 262.397 2.691 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000924687724 648027814 /nfs/dbraw/zinc/02/78/14/648027814.db2.gz OYISNZJHJCIDAA-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1(Cl)CC1 ZINC000924705656 648031952 /nfs/dbraw/zinc/03/19/52/648031952.db2.gz YRZSWUUYARDZJL-ZDUSSCGKSA-N 2 0 296.842 2.877 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924708177 648032041 /nfs/dbraw/zinc/03/20/41/648032041.db2.gz WWSALZNNCGSPLW-JFIYKMOQSA-N 2 0 287.451 2.724 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000924956180 648078515 /nfs/dbraw/zinc/07/85/15/648078515.db2.gz UUIQOFWIGXWWSG-CQSZACIVSA-N 2 0 290.455 2.991 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924954141 648078763 /nfs/dbraw/zinc/07/87/63/648078763.db2.gz FRLDMVUTYWMWAC-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959304 648079486 /nfs/dbraw/zinc/07/94/86/648079486.db2.gz JXOJCWNPZKSAAL-IXDOHACOSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@H]([NH2+]CCOCC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925004020 648087369 /nfs/dbraw/zinc/08/73/69/648087369.db2.gz XSGVDFZPLBBTEP-AWEZNQCLSA-N 2 0 276.424 2.825 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000925156529 648119292 /nfs/dbraw/zinc/11/92/92/648119292.db2.gz MJXJDMZQPJUAGE-LBPRGKRZSA-N 2 0 258.837 2.858 20 0 CFADRP c1cn2c(n1)[C@@H](C[NH2+][C@@H]1CC3CCC1CC3)CCC2 ZINC000925167665 648122201 /nfs/dbraw/zinc/12/22/01/648122201.db2.gz DBZINKRBBPYOIR-NEXFUWMNSA-N 2 0 259.397 2.929 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000925438470 648169508 /nfs/dbraw/zinc/16/95/08/648169508.db2.gz BAUKTEBIXFWPTG-JJTUDDRGSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925458829 648174340 /nfs/dbraw/zinc/17/43/40/648174340.db2.gz HMNOGSLNKJNPIY-YOEHRIQHSA-N 2 0 278.440 2.950 20 0 CFADRP c1ccc2[nH]c(CCC[NH2+][C@H]3CC[NH2+]C34CCCC4)nc2c1 ZINC000925479943 648179867 /nfs/dbraw/zinc/17/98/67/648179867.db2.gz IJGKJMGSOVWLCM-INIZCTEOSA-N 2 0 298.434 2.760 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925490986 648182245 /nfs/dbraw/zinc/18/22/45/648182245.db2.gz BUMCUVQEGZWCTE-IXDOHACOSA-N 2 0 288.435 2.604 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925490684 648182349 /nfs/dbraw/zinc/18/23/49/648182349.db2.gz AQTGKNIGBXBZOD-MSOLQXFVSA-N 2 0 288.435 2.953 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925496694 648183930 /nfs/dbraw/zinc/18/39/30/648183930.db2.gz SGMIOQVTVKXGAV-XYJFISCASA-N 2 0 289.467 2.785 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925502186 648186861 /nfs/dbraw/zinc/18/68/61/648186861.db2.gz FTMTWHORNFKUSS-JHJVBQTASA-N 2 0 254.443 2.535 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925504363 648187607 /nfs/dbraw/zinc/18/76/07/648187607.db2.gz QCPCTRILSIBOSG-QZTJIDSGSA-N 2 0 272.436 2.987 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925514009 648193569 /nfs/dbraw/zinc/19/35/69/648193569.db2.gz CVWUOWFPGSSAAR-BBRMVZONSA-N 2 0 276.424 2.919 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccccc1 ZINC000925517019 648194515 /nfs/dbraw/zinc/19/45/15/648194515.db2.gz WUPOMMCZYDQPGJ-CVEARBPZSA-N 2 0 290.432 2.851 20 0 CFADRP CC1(C)[C@H]([NH2+]CC(C2CC2)C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925516385 648194698 /nfs/dbraw/zinc/19/46/98/648194698.db2.gz SJWISPLOICJOQI-VNQPRFMTSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(-n2cccn2)c1 ZINC000925527771 648201283 /nfs/dbraw/zinc/20/12/83/648201283.db2.gz QNSZNWIZOGHHJX-RRQGHBQHSA-N 2 0 296.418 2.793 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925537705 648205903 /nfs/dbraw/zinc/20/59/03/648205903.db2.gz LPZUEBZFKSJZBZ-ZNMIVQPWSA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000925538572 648206961 /nfs/dbraw/zinc/20/69/61/648206961.db2.gz VCXIHCKKBRPMRS-UKRRQHHQSA-N 2 0 261.413 2.594 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000925547418 648211081 /nfs/dbraw/zinc/21/10/81/648211081.db2.gz UZJRUJOEYUNMSU-CWRNSKLLSA-N 2 0 295.496 2.861 20 0 CFADRP CCN(CC[NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000925558350 648215527 /nfs/dbraw/zinc/21/55/27/648215527.db2.gz QRNJEGWIVPJMAK-KRWDZBQOSA-N 2 0 275.440 2.541 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc(Cl)nc2)C1 ZINC000925560120 648216369 /nfs/dbraw/zinc/21/63/69/648216369.db2.gz YOKRTBQGKFMAJK-STQMWFEESA-N 2 0 281.831 2.773 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565620 648219922 /nfs/dbraw/zinc/21/99/22/648219922.db2.gz VJYRVXOBYCXUAQ-DGCLKSJQSA-N 2 0 281.469 2.744 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925570934 648223081 /nfs/dbraw/zinc/22/30/81/648223081.db2.gz ZHGVKMZSEXVBOC-QAPCUYQASA-N 2 0 289.467 2.757 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925578036 648224630 /nfs/dbraw/zinc/22/46/30/648224630.db2.gz YYHIMNBENRNFKM-QEOTZNIISA-N 2 0 294.483 2.804 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000925585024 648227427 /nfs/dbraw/zinc/22/74/27/648227427.db2.gz RISBCHNAORFRKU-UONOGXRCSA-N 2 0 280.387 2.700 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000925598499 648233697 /nfs/dbraw/zinc/23/36/97/648233697.db2.gz RVRUJHDEMFXDND-CXAGYDPISA-N 2 0 276.424 2.824 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)C12CCC2 ZINC000925602913 648235427 /nfs/dbraw/zinc/23/54/27/648235427.db2.gz YXULUEPZTOBLSN-LSDHHAIUSA-N 2 0 256.349 2.792 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)C[C@@H]([NH3+])C1 ZINC000925608246 648237298 /nfs/dbraw/zinc/23/72/98/648237298.db2.gz UQABVXTVXIEPCK-CVEARBPZSA-N 2 0 298.434 2.868 20 0 CFADRP C[C@](O)(C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925612119 648238512 /nfs/dbraw/zinc/23/85/12/648238512.db2.gz QJYYOZQDQDHAJS-MOPGFXCFSA-N 2 0 298.430 2.964 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925614781 648239703 /nfs/dbraw/zinc/23/97/03/648239703.db2.gz KRWDVYXMHCUQDJ-KBXIAJHMSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925619380 648242804 /nfs/dbraw/zinc/24/28/04/648242804.db2.gz MZNAZYOVERSIDU-IWCQGFGOSA-N 2 0 290.451 2.647 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925620252 648243096 /nfs/dbraw/zinc/24/30/96/648243096.db2.gz GABPKINUPVBBLA-PBHICJAKSA-N 2 0 275.440 2.537 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925623244 648244715 /nfs/dbraw/zinc/24/47/15/648244715.db2.gz RQQJPCFIERVHTR-MRXNPFEDSA-N 2 0 278.440 2.855 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925624423 648245245 /nfs/dbraw/zinc/24/52/45/648245245.db2.gz XKDXCWZOVHXVEY-CVEARBPZSA-N 2 0 282.472 2.543 20 0 CFADRP CC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925628065 648247397 /nfs/dbraw/zinc/24/73/97/648247397.db2.gz YBRVOLQDXWZGKJ-CVEARBPZSA-N 2 0 280.456 2.561 20 0 CFADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925633508 648252086 /nfs/dbraw/zinc/25/20/86/648252086.db2.gz DLIPMFJUFWRQAL-GVDBMIGSSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000925634175 648252477 /nfs/dbraw/zinc/25/24/77/648252477.db2.gz LQGLETLODMXGOH-HNNXBMFYSA-N 2 0 261.413 2.609 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925637378 648255264 /nfs/dbraw/zinc/25/52/64/648255264.db2.gz JVNKSGABZIIYNG-IJLUTSLNSA-N 2 0 256.459 2.624 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000925638542 648255862 /nfs/dbraw/zinc/25/58/62/648255862.db2.gz DEYGKJDMGGEFSX-DOTOQJQBSA-N 2 0 289.467 2.787 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C[C@H]1CCCCO1 ZINC000925638992 648255907 /nfs/dbraw/zinc/25/59/07/648255907.db2.gz ICICEMXKFLLTAZ-HUUCEWRRSA-N 2 0 266.429 2.600 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925639189 648256227 /nfs/dbraw/zinc/25/62/27/648256227.db2.gz KOCWRLKXBWHICD-CHWSQXEVSA-N 2 0 256.434 2.545 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925641832 648257816 /nfs/dbraw/zinc/25/78/16/648257816.db2.gz PBOIKVINLZNHMP-ORDFZIBCSA-N 2 0 292.467 2.558 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000925651913 648262317 /nfs/dbraw/zinc/26/23/17/648262317.db2.gz LDECNEFAWRJQRJ-JCGIZDLHSA-N 2 0 287.451 2.681 20 0 CFADRP CC1(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925653261 648262993 /nfs/dbraw/zinc/26/29/93/648262993.db2.gz LFFJMTWSUNVUFN-HUUCEWRRSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@H](C)O1 ZINC000925654025 648263608 /nfs/dbraw/zinc/26/36/08/648263608.db2.gz KDTCIYXGJFLRLF-UKRFAEJPSA-N 2 0 280.456 2.556 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000925663238 648268268 /nfs/dbraw/zinc/26/82/68/648268268.db2.gz QKNBFNGDONORJN-SFYZZRBRSA-N 2 0 283.419 2.816 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)C12CCC2 ZINC000925661515 648268397 /nfs/dbraw/zinc/26/83/97/648268397.db2.gz VPEPMEVHWFFZIB-HOTGVXAUSA-N 2 0 269.392 2.570 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C12CCC2 ZINC000925663451 648268815 /nfs/dbraw/zinc/26/88/15/648268815.db2.gz SNZANAUCKUEDNU-TUAOUCFPSA-N 2 0 258.356 2.671 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCCOC(F)F)c1ccccc1 ZINC000925668312 648270639 /nfs/dbraw/zinc/27/06/39/648270639.db2.gz YIDLTFOHFFNSDE-ZDUSSCGKSA-N 2 0 272.339 2.686 20 0 CFADRP CC(C)SCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925672183 648273042 /nfs/dbraw/zinc/27/30/42/648273042.db2.gz TVPRZCRFOABCQY-CABCVRRESA-N 2 0 270.486 2.886 20 0 CFADRP c1ccc([C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C2CC2)cc1 ZINC000925674347 648274295 /nfs/dbraw/zinc/27/42/95/648274295.db2.gz QXBDTJHEERJVFG-XNIJUTNWSA-N 2 0 282.431 2.766 20 0 CFADRP c1ccc([C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C2CC2)cc1 ZINC000925674352 648274696 /nfs/dbraw/zinc/27/46/96/648274696.db2.gz QXBDTJHEERJVFG-XREYTECCSA-N 2 0 282.431 2.766 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925683944 648277902 /nfs/dbraw/zinc/27/79/02/648277902.db2.gz BPZUDSLDWXOAIL-ROUUACIJSA-N 2 0 294.483 2.951 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925683943 648277947 /nfs/dbraw/zinc/27/79/47/648277947.db2.gz BPZUDSLDWXOAIL-QZTJIDSGSA-N 2 0 294.483 2.951 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925685840 648279024 /nfs/dbraw/zinc/27/90/24/648279024.db2.gz OWSUVPZSWNLQNX-IAGOWNOFSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925688697 648281674 /nfs/dbraw/zinc/28/16/74/648281674.db2.gz GYPNRIVCCNJZMH-LSDHHAIUSA-N 2 0 262.372 2.536 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925694743 648283769 /nfs/dbraw/zinc/28/37/69/648283769.db2.gz PRTQDILWPAAVNJ-VVLHAWIVSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694947 648284410 /nfs/dbraw/zinc/28/44/10/648284410.db2.gz VLURYGMHSKKAIZ-SJORKVTESA-N 2 0 273.424 2.648 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1 ZINC000925700485 648284993 /nfs/dbraw/zinc/28/49/93/648284993.db2.gz QISFDVNSMSGKDK-ROUUACIJSA-N 2 0 295.430 2.714 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925703133 648286239 /nfs/dbraw/zinc/28/62/39/648286239.db2.gz CKXGTZDVIAJNJG-HNNXBMFYSA-N 2 0 291.826 2.964 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925704115 648287311 /nfs/dbraw/zinc/28/73/11/648287311.db2.gz HXQIFSIGRDKIPL-RHSMWYFYSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925709172 648290401 /nfs/dbraw/zinc/29/04/01/648290401.db2.gz UGKDSQVVBVGGEC-CQSZACIVSA-N 2 0 288.435 2.827 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925709268 648290411 /nfs/dbraw/zinc/29/04/11/648290411.db2.gz HNIZYNNTNTXLRV-DOTOQJQBSA-N 2 0 277.456 2.642 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710704 648290658 /nfs/dbraw/zinc/29/06/58/648290658.db2.gz XOIXQSGGUILDJW-SJORKVTESA-N 2 0 275.440 2.541 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnccc1C(F)(F)F ZINC000925717268 648294980 /nfs/dbraw/zinc/29/49/80/648294980.db2.gz RMGDNPQIBSKQBH-CNGMEFBOSA-N 2 0 299.340 2.706 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)CO2 ZINC000925723336 648298410 /nfs/dbraw/zinc/29/84/10/648298410.db2.gz PYWVTABRNDKVRU-KKUMJFAQSA-N 2 0 288.435 2.794 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925725757 648298897 /nfs/dbraw/zinc/29/88/97/648298897.db2.gz VTRYTRLTLFQLPS-BPUTZDHNSA-N 2 0 282.497 2.888 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2[nH]ccc21 ZINC000925727254 648299643 /nfs/dbraw/zinc/29/96/43/648299643.db2.gz CYSVDAPXLMMULF-ZKHDCCDFSA-N 2 0 269.392 2.773 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C12CCC2 ZINC000925728149 648299837 /nfs/dbraw/zinc/29/98/37/648299837.db2.gz JIMWLJLLPAVDIM-LSDHHAIUSA-N 2 0 255.365 2.527 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000925735696 648303544 /nfs/dbraw/zinc/30/35/44/648303544.db2.gz WVFNYQCHMRTEHE-DLXPNOHRSA-N 2 0 292.467 2.689 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000925739321 648304086 /nfs/dbraw/zinc/30/40/86/648304086.db2.gz VZODEKXCCKNVAG-CHWSQXEVSA-N 2 0 294.439 2.913 20 0 CFADRP CC(C)([NH3+])CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000925740737 648305466 /nfs/dbraw/zinc/30/54/66/648305466.db2.gz KIVLJJFKHDEOEE-UHFFFAOYSA-N 2 0 297.393 2.651 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(CC)CC ZINC000925740006 648305512 /nfs/dbraw/zinc/30/55/12/648305512.db2.gz FYGXVVIEQAAQJP-QWHCGFSZSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cnn(-c2ccccc2)c1 ZINC000925739974 648305826 /nfs/dbraw/zinc/30/58/26/648305826.db2.gz CWYMLOYAVSUBQJ-ZDUSSCGKSA-N 2 0 272.396 2.650 20 0 CFADRP CCC1(CC)[C@H]([NH+]2CCC([NH3+])(CC)CC2)C[C@@H]1OC ZINC000925756608 648307363 /nfs/dbraw/zinc/30/73/63/648307363.db2.gz MPFYRDYGKVSAIO-KGLIPLIRSA-N 2 0 268.445 2.783 20 0 CFADRP C[C@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000925771627 648314184 /nfs/dbraw/zinc/31/41/84/648314184.db2.gz NHCCNZUUDLDJEL-CGTJXYLNSA-N 2 0 298.434 2.602 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775008 648317721 /nfs/dbraw/zinc/31/77/21/648317721.db2.gz BQPPRDUEANTLDG-ZFWWWQNUSA-N 2 0 280.362 2.817 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925777861 648318927 /nfs/dbraw/zinc/31/89/27/648318927.db2.gz QZNLVLKOANNKCZ-HSOILSAZSA-N 2 0 282.325 2.645 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000925776366 648318943 /nfs/dbraw/zinc/31/89/43/648318943.db2.gz XMQHMCPBLWHNRG-GJZGRUSLSA-N 2 0 280.387 2.626 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925777862 648319112 /nfs/dbraw/zinc/31/91/12/648319112.db2.gz QZNLVLKOANNKCZ-YVNMAJEFSA-N 2 0 282.325 2.645 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CC1(C)C ZINC000925778735 648320158 /nfs/dbraw/zinc/32/01/58/648320158.db2.gz UXKBODOSTKGNPX-WOPDTQHZSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925784246 648321864 /nfs/dbraw/zinc/32/18/64/648321864.db2.gz IHNYXCDHLSFPAZ-QZWWFDLISA-N 2 0 287.451 2.861 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925790351 648324673 /nfs/dbraw/zinc/32/46/73/648324673.db2.gz HKEWEQAIPMCRKE-MDZLAQPJSA-N 2 0 297.240 2.955 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925793459 648325638 /nfs/dbraw/zinc/32/56/38/648325638.db2.gz YZXKOXIMLDPLJH-RDBSUJKOSA-N 2 0 292.423 2.518 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000925792243 648325864 /nfs/dbraw/zinc/32/58/64/648325864.db2.gz VJZRTMXPSUZIGG-MBNYWOFBSA-N 2 0 262.422 2.669 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925795868 648326649 /nfs/dbraw/zinc/32/66/49/648326649.db2.gz QMOMLDDNMVBDJH-BFYDXBDKSA-N 2 0 275.440 2.628 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000925798634 648326786 /nfs/dbraw/zinc/32/67/86/648326786.db2.gz MBMAXIMHZHUNRB-AXAPSJFSSA-N 2 0 262.372 2.648 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1C[C@H]2CC[C@@H](C1)S2 ZINC000925800977 648327428 /nfs/dbraw/zinc/32/74/28/648327428.db2.gz HVDIZFKPUNPVKD-GSPSYOTPSA-N 2 0 266.454 2.535 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000925799204 648327485 /nfs/dbraw/zinc/32/74/85/648327485.db2.gz NSPATUHRQZXHCY-FRRDWIJNSA-N 2 0 250.361 2.722 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925800974 648327590 /nfs/dbraw/zinc/32/75/90/648327590.db2.gz HURYJORDICCQPP-LVNYTYFRSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000925801750 648327671 /nfs/dbraw/zinc/32/76/71/648327671.db2.gz WYZLCOWTFOGZHX-YRGRVCCFSA-N 2 0 250.361 2.722 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000925803821 648328101 /nfs/dbraw/zinc/32/81/01/648328101.db2.gz VUKURZSZFBZFLH-RBSFLKMASA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]([NH2+]CCC1(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000925804588 648328119 /nfs/dbraw/zinc/32/81/19/648328119.db2.gz JZHZFXJKPSZMCR-HUUCEWRRSA-N 2 0 258.409 2.696 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000925803009 648328203 /nfs/dbraw/zinc/32/82/03/648328203.db2.gz LUYDTVZGXGRBHA-SUYBPPKGSA-N 2 0 274.408 2.605 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804808 648328916 /nfs/dbraw/zinc/32/89/16/648328916.db2.gz MSFUFVQKPVAPGM-MAUKXSAKSA-N 2 0 298.434 2.522 20 0 CFADRP c1ccc(C2(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000925806222 648329269 /nfs/dbraw/zinc/32/92/69/648329269.db2.gz YJAVJLBPAUHODK-SJPCQFCGSA-N 2 0 270.420 2.981 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807052 648329810 /nfs/dbraw/zinc/32/98/10/648329810.db2.gz HVEHCXZQGNFKGQ-RDJZCZTQSA-N 3 0 281.488 2.524 20 0 CFADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000925807035 648330077 /nfs/dbraw/zinc/33/00/77/648330077.db2.gz CSRUHLSBZNLBMX-INIZCTEOSA-N 2 0 295.858 2.804 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)n(C)n1 ZINC000925807986 648330127 /nfs/dbraw/zinc/33/01/27/648330127.db2.gz MDMKBMWBRGCKMI-OAHLLOKOSA-N 2 0 292.471 2.939 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925808177 648330265 /nfs/dbraw/zinc/33/02/65/648330265.db2.gz ALBZXROWYRZUPF-KBXCAEBGSA-N 2 0 287.451 2.638 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809463 648330981 /nfs/dbraw/zinc/33/09/81/648330981.db2.gz VSEZJQUUBSNIDQ-ZIAGYGMSSA-N 2 0 256.434 2.559 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]1 ZINC000925815489 648333050 /nfs/dbraw/zinc/33/30/50/648333050.db2.gz XKAVZHDNJMMPPY-AEFFLSMTSA-N 2 0 283.419 2.898 20 0 CFADRP CCCCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925818267 648333084 /nfs/dbraw/zinc/33/30/84/648333084.db2.gz ZZQFQFYMBIQIGP-INIZCTEOSA-N 2 0 283.504 2.994 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925824985 648334290 /nfs/dbraw/zinc/33/42/90/648334290.db2.gz XRIQKXFUHWIDIT-PBHCIXSXSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925825302 648335247 /nfs/dbraw/zinc/33/52/47/648335247.db2.gz CWUXKEQEIGXRKI-BMFZPTHFSA-N 2 0 268.445 2.831 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925829865 648336585 /nfs/dbraw/zinc/33/65/85/648336585.db2.gz ALNWURPBQVAOIE-USZNOCQGSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1CC=CC1 ZINC000925831252 648336855 /nfs/dbraw/zinc/33/68/55/648336855.db2.gz IKHDJZIETGEFDO-YOEHRIQHSA-N 2 0 258.409 2.891 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nc3c(s2)CCC3)c2ccccc21 ZINC000925829127 648336864 /nfs/dbraw/zinc/33/68/64/648336864.db2.gz BRPKNYDCHWFXIM-DZGCQCFKSA-N 2 0 299.443 2.909 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])ccc2O1 ZINC000925831726 648337350 /nfs/dbraw/zinc/33/73/50/648337350.db2.gz LBZBINUDDSWWOI-XNRPHZJLSA-N 2 0 274.408 2.617 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2ccccc21 ZINC000925834247 648338524 /nfs/dbraw/zinc/33/85/24/648338524.db2.gz YAJJJNGAMSVVQG-KKBFJBPOSA-N 2 0 270.298 2.919 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925836974 648339059 /nfs/dbraw/zinc/33/90/59/648339059.db2.gz AMIBIVYMAZFGIL-KBAYOESNSA-N 2 0 287.451 2.915 20 0 CFADRP FCC[C@@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838912 648340350 /nfs/dbraw/zinc/34/03/50/648340350.db2.gz FKOJYVJAOBCGKD-GBJTYRQASA-N 2 0 254.393 2.637 20 0 CFADRP CCC[C@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845285 648342980 /nfs/dbraw/zinc/34/29/80/648342980.db2.gz FYWXSXGSHGTAAS-DLBZAZTESA-N 2 0 281.488 2.620 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925847310 648343448 /nfs/dbraw/zinc/34/34/48/648343448.db2.gz UJVKPKWNSQMKAO-FVQBIDKESA-N 2 0 259.397 2.573 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCSC3(CCC3)C1)[NH2+]2 ZINC000925855252 648345866 /nfs/dbraw/zinc/34/58/66/648345866.db2.gz CGMRUHFLOOKXRC-GZBLMMOJSA-N 2 0 280.481 2.923 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C[C@@H]([NH3+])C1 ZINC000925872125 648352154 /nfs/dbraw/zinc/35/21/54/648352154.db2.gz PWOAWOBZGWPFOB-QLFBSQMISA-N 2 0 273.424 2.955 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)cc12 ZINC000925879910 648353823 /nfs/dbraw/zinc/35/38/23/648353823.db2.gz LVNHAWHYDRQIKT-TUAOUCFPSA-N 2 0 292.452 2.721 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925881611 648354703 /nfs/dbraw/zinc/35/47/03/648354703.db2.gz JWHCTHSZXOIJAB-DZUCGIPZSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888990 648357152 /nfs/dbraw/zinc/35/71/52/648357152.db2.gz YGOYNFCJLCPFDT-QSPRXWTASA-N 2 0 258.409 2.824 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925893904 648357903 /nfs/dbraw/zinc/35/79/03/648357903.db2.gz SALHHURFHFYZHQ-CZUORRHYSA-N 2 0 289.423 2.601 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC000925893487 648358286 /nfs/dbraw/zinc/35/82/86/648358286.db2.gz OOSSHNBIIHISRZ-MCIONIFRSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)[NH+]1CCCCC1 ZINC000926140599 648414661 /nfs/dbraw/zinc/41/46/61/648414661.db2.gz CYXMNEDCKRFYLK-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCOCC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926255708 648448909 /nfs/dbraw/zinc/44/89/09/648448909.db2.gz SEVVYDKKTOUNQE-GFCCVEGCSA-N 2 0 286.366 2.681 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000926287635 648456071 /nfs/dbraw/zinc/45/60/71/648456071.db2.gz WLKKBVGXXVEOKY-HXGYVLDSSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926314580 648460715 /nfs/dbraw/zinc/46/07/15/648460715.db2.gz LRZVWDSGUZIHGT-KGLIPLIRSA-N 2 0 264.413 2.560 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336338 648465691 /nfs/dbraw/zinc/46/56/91/648465691.db2.gz FKEPXPBFUFGBKA-VXLLPVPCSA-N 2 0 282.472 2.923 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000926344779 648468063 /nfs/dbraw/zinc/46/80/63/648468063.db2.gz YDVMOYGQXGHGCX-TXRRZBAUSA-N 2 0 270.420 2.862 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc2[nH]ccc21 ZINC000926367350 648472829 /nfs/dbraw/zinc/47/28/29/648472829.db2.gz MIDXGINXYJKVAD-MVVMVCHASA-N 2 0 283.419 2.640 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000926447391 648487923 /nfs/dbraw/zinc/48/79/23/648487923.db2.gz PKQNCQAQPIHWLZ-INIZCTEOSA-N 2 0 283.504 2.815 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCCC[C@H]1CCCO)C1CC1 ZINC000926560972 648533554 /nfs/dbraw/zinc/53/35/54/648533554.db2.gz VHGKJBJGZZJULN-DOTOQJQBSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566484 648535335 /nfs/dbraw/zinc/53/53/35/648535335.db2.gz BXXFHCCHOCWEJQ-GDBMZVCRSA-N 2 0 275.396 2.754 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)ccc12 ZINC000926569197 648537115 /nfs/dbraw/zinc/53/71/15/648537115.db2.gz YXYSAMZFWFZHTQ-LQDVMPOASA-N 2 0 273.405 2.851 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926606539 648550197 /nfs/dbraw/zinc/55/01/97/648550197.db2.gz NDIFSRBWDAHGGZ-QDIHITRGSA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926605103 648550259 /nfs/dbraw/zinc/55/02/59/648550259.db2.gz AZXUMFINIFWQPP-LMPOIIKSSA-N 2 0 270.461 2.779 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1(Br)CC1 ZINC000926606640 648550357 /nfs/dbraw/zinc/55/03/57/648550357.db2.gz OYDAVSWWJHTRPO-VOMCLLRMSA-N 2 0 289.261 2.765 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)CO1 ZINC000926730636 648594832 /nfs/dbraw/zinc/59/48/32/648594832.db2.gz ARDVFVNYAQQALL-NNGSBXSVSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000926753467 648602726 /nfs/dbraw/zinc/60/27/26/648602726.db2.gz HSZUYAMIULYKJV-IXDOHACOSA-N 2 0 282.472 2.639 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926776513 648610384 /nfs/dbraw/zinc/61/03/84/648610384.db2.gz MIGPRJVQRRYXGK-UNEWFSDZSA-N 2 0 276.424 2.824 20 0 CFADRP CCC[C@@H](CCO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926776702 648611531 /nfs/dbraw/zinc/61/15/31/648611531.db2.gz DKWABXYWWWLCQC-HNNXBMFYSA-N 2 0 270.461 2.638 20 0 CFADRP COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926850569 648634327 /nfs/dbraw/zinc/63/43/27/648634327.db2.gz CFFZBLIYIRCKFF-JLJPHGGASA-N 2 0 276.424 2.824 20 0 CFADRP Cc1nonc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926883604 648644539 /nfs/dbraw/zinc/64/45/39/648644539.db2.gz CBYBUCWIHOCACY-YGONEPDPSA-N 2 0 292.427 2.826 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926895787 648649149 /nfs/dbraw/zinc/64/91/49/648649149.db2.gz XLZHLBHLZKHOAT-CQSZACIVSA-N 2 0 270.461 2.900 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000927035992 648688816 /nfs/dbraw/zinc/68/88/16/648688816.db2.gz DZYCNNNCYNIDDV-GNHJJJEISA-N 2 0 288.439 2.784 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000927038362 648689354 /nfs/dbraw/zinc/68/93/54/648689354.db2.gz PWQHWLRXATWAQL-UHFFFAOYSA-N 2 0 291.483 2.610 20 0 CFADRP COC1([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCC1 ZINC000927036900 648689451 /nfs/dbraw/zinc/68/94/51/648689451.db2.gz KPDJNCMDKBWFQK-FHERZECASA-N 2 0 280.456 2.941 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038364 648689640 /nfs/dbraw/zinc/68/96/40/648689640.db2.gz PWSSXDVDMCRLIK-BBBYJDLNSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)nn1C ZINC000927039306 648690331 /nfs/dbraw/zinc/69/03/31/648690331.db2.gz UJTKBBHVGURKLY-HPUBIQBYSA-N 2 0 290.455 2.786 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@H]2CCC[C@@H]21 ZINC000927062114 648693951 /nfs/dbraw/zinc/69/39/51/648693951.db2.gz WJDXGDJZMLMSEA-TWMKSMIVSA-N 2 0 285.435 2.921 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000927134399 648723378 /nfs/dbraw/zinc/72/33/78/648723378.db2.gz JHYRIPQYWSXHGQ-BPLDGKMQSA-N 2 0 277.412 2.508 20 0 CFADRP CCc1onc(C)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929686134 649097112 /nfs/dbraw/zinc/09/71/12/649097112.db2.gz FXOHUKUURAFYAC-OAHLLOKOSA-N 2 0 291.439 2.996 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CC[C@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000929721293 649106318 /nfs/dbraw/zinc/10/63/18/649106318.db2.gz QAPOGMFHBFUMLK-LTIDMASMSA-N 2 0 282.472 2.996 20 0 CFADRP CC1CC(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000929762611 649115529 /nfs/dbraw/zinc/11/55/29/649115529.db2.gz GUJRICCRMAJKBA-SIWZUTFBSA-N 2 0 250.430 2.696 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930061614 649176065 /nfs/dbraw/zinc/17/60/65/649176065.db2.gz TYORFBYICHBLCA-PNBKFKSVSA-N 2 0 262.441 2.981 20 0 CFADRP COC/C(C)=C\C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117687 649187901 /nfs/dbraw/zinc/18/79/01/649187901.db2.gz VAJNRBBBIHQJFX-GDNBJRDFSA-N 2 0 276.424 2.773 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309511 649227589 /nfs/dbraw/zinc/22/75/89/649227589.db2.gz KOZILCJWFQBVSW-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)[nH]1 ZINC000930511902 649264253 /nfs/dbraw/zinc/26/42/53/649264253.db2.gz PNNNQAUHFDXFDY-INIZCTEOSA-N 2 0 296.418 2.664 20 0 CFADRP CN(C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)C[C@H]21 ZINC000931279747 649400706 /nfs/dbraw/zinc/40/07/06/649400706.db2.gz QENPYPASDJAAHB-TWMKSMIVSA-N 2 0 256.393 2.556 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000931352651 649414108 /nfs/dbraw/zinc/41/41/08/649414108.db2.gz PAIDOZBJFCEKMP-LBPRGKRZSA-N 2 0 260.372 2.838 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C)([NH+](C)C)CC2)C[C@H](C)O1 ZINC000931356131 649414718 /nfs/dbraw/zinc/41/47/18/649414718.db2.gz FTNZDAIPSBVATE-FICVDOATSA-N 2 0 268.445 2.606 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC000931425104 649424060 /nfs/dbraw/zinc/42/40/60/649424060.db2.gz FFUDLLXSVUHPAW-OCCSQVGLSA-N 2 0 264.800 2.724 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3csc(C(C)(C)C)n3)C[C@@H]2C1 ZINC000931432092 649425559 /nfs/dbraw/zinc/42/55/59/649425559.db2.gz HYBSKHQRAMFHCC-OLZOCXBDSA-N 2 0 293.480 2.824 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433583 649426613 /nfs/dbraw/zinc/42/66/13/649426613.db2.gz CUZYBNXCDXWFMB-DOTOQJQBSA-N 2 0 288.435 2.857 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000931434969 649426947 /nfs/dbraw/zinc/42/69/47/649426947.db2.gz CMLSTZXQLTUZRV-JKIFEVAISA-N 2 0 274.383 2.697 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000931442155 649428784 /nfs/dbraw/zinc/42/87/84/649428784.db2.gz WLPVEYDKNGDFHP-KURKYZTESA-N 2 0 284.447 2.990 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000931700168 649474756 /nfs/dbraw/zinc/47/47/56/649474756.db2.gz LQEHTLPCMXOUPX-BTTYYORXSA-N 2 0 284.394 2.838 20 0 CFADRP CC[C@@H](CO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000931771838 649487255 /nfs/dbraw/zinc/48/72/55/649487255.db2.gz GVUSIJLEWOXNLM-KRWDZBQOSA-N 2 0 276.424 2.533 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931912933 649508722 /nfs/dbraw/zinc/50/87/22/649508722.db2.gz CBMRHPFCARUTPS-VXGBXAGGSA-N 2 0 294.336 2.837 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000932491547 649609740 /nfs/dbraw/zinc/60/97/40/649609740.db2.gz KNGYJPUGRMCLCV-MAUKXSAKSA-N 2 0 288.435 2.797 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCC(C)(C)C3CC3)C[C@]2(C)C1 ZINC000933734936 649718204 /nfs/dbraw/zinc/71/82/04/649718204.db2.gz YPCIZECZKCLBII-ZBFHGGJFSA-N 2 0 250.430 2.696 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CCCn2ccnc2)cc1 ZINC000934722573 649820009 /nfs/dbraw/zinc/82/00/09/649820009.db2.gz UOPHPYQQGKLUFU-UHFFFAOYSA-N 2 0 287.407 2.846 20 0 CFADRP Cc1[nH+]c(N2CC[NH+](CC(C)C)CC2)cc2[nH]ccc21 ZINC001164657561 719336267 /nfs/dbraw/zinc/33/62/67/719336267.db2.gz RPROQYMHNBHHLU-UHFFFAOYSA-N 2 0 272.396 2.649 20 0 CFADRP CC(C)Oc1cc[nH+]c(N(C)CC2CC[NH+](C)CC2)c1 ZINC001165041170 721934622 /nfs/dbraw/zinc/93/46/22/721934622.db2.gz IKSRYKCMBBDFMM-UHFFFAOYSA-N 2 0 277.412 2.647 20 0 CFADRP Cc1cc2[nH]ccc2c(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC001165042937 721946282 /nfs/dbraw/zinc/94/62/82/721946282.db2.gz ZUVBEELVQAGGSU-UHFFFAOYSA-N 2 0 272.396 2.649 20 0 CFADRP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235819624 778567474 /nfs/dbraw/zinc/56/74/74/778567474.db2.gz GBJIXASBJRHZIF-UONOGXRCSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1CCC(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001208593903 769908815 /nfs/dbraw/zinc/90/88/15/769908815.db2.gz JUCGSQZWKVYXKT-JKSUJKDBSA-N 2 0 278.440 2.552 20 0 CFADRP CN1CCC[C@@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]21 ZINC001208741969 769935343 /nfs/dbraw/zinc/93/53/43/769935343.db2.gz KPBHKEWRBOHUJB-ZBFHGGJFSA-N 2 0 278.827 2.909 20 0 CFADRP CN1CCC[C@H]2C[N@H+](CCc3ccc(Cl)cc3)C[C@@H]21 ZINC001208741966 769936110 /nfs/dbraw/zinc/93/61/10/769936110.db2.gz KPBHKEWRBOHUJB-HOCLYGCPSA-N 2 0 278.827 2.909 20 0 CFADRP COCC[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209212050 770016906 /nfs/dbraw/zinc/01/69/06/770016906.db2.gz QFQTWRBJLLDUQM-INIZCTEOSA-N 2 0 292.423 2.602 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)O1 ZINC001209390815 770048798 /nfs/dbraw/zinc/04/87/98/770048798.db2.gz OBTAYNWJSCKODM-MUJYYYPQSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209422010 770075001 /nfs/dbraw/zinc/07/50/01/770075001.db2.gz RKTLGASUOTWFRG-UGUYLWEFSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@H]1C[C@H]1C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209425056 770077862 /nfs/dbraw/zinc/07/78/62/770077862.db2.gz CZJHCNAOBBSMPK-KBPBESRZSA-N 2 0 250.430 2.981 20 0 CFADRP CCC[N@H+]1C[C@H]2CN(Cc3cccc(C)c3F)C[C@H]2C1 ZINC001137680096 770159402 /nfs/dbraw/zinc/15/94/02/770159402.db2.gz LQWVURGQORLWQB-IYBDPMFKSA-N 2 0 276.399 2.908 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CC[NH+](C)C2)nc1 ZINC001167273253 770195239 /nfs/dbraw/zinc/19/52/39/770195239.db2.gz ZSHRIHPYQIFPMI-ZBFHGGJFSA-N 2 0 288.439 2.572 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000382591215 770220737 /nfs/dbraw/zinc/22/07/37/770220737.db2.gz GKTSYCNURXVDHR-LBPRGKRZSA-N 2 0 250.361 2.927 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000134003255 770249931 /nfs/dbraw/zinc/24/99/31/770249931.db2.gz GQRKSLKKRLUPML-CQSZACIVSA-N 2 0 276.424 2.597 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720656817 770302646 /nfs/dbraw/zinc/30/26/46/770302646.db2.gz FLSRRPJSNKJKSC-CORIIIEPSA-N 2 0 264.800 2.942 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723623432 770623270 /nfs/dbraw/zinc/62/32/70/770623270.db2.gz ZFYJEXVAXZMXSZ-GVDBMIGSSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000689836062 770630588 /nfs/dbraw/zinc/63/05/88/770630588.db2.gz LQGVSCFUZJPXBL-OLZOCXBDSA-N 2 0 268.445 2.700 20 0 CFADRP Cc1ccc(Cl)nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001140448333 770635276 /nfs/dbraw/zinc/63/52/76/770635276.db2.gz WMEOIBXZHFGMRW-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000723679431 770648274 /nfs/dbraw/zinc/64/82/74/770648274.db2.gz DJIJFLSQGQEHDO-LLVKDONJSA-N 2 0 277.393 2.574 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(Br)c1 ZINC000723675255 770648512 /nfs/dbraw/zinc/64/85/12/770648512.db2.gz VUFHBPJZXCHVGE-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723689860 770649500 /nfs/dbraw/zinc/64/95/00/770649500.db2.gz IYXZJDSZUBRWAG-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP CS[C@@H]1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707300512 770654349 /nfs/dbraw/zinc/65/43/49/770654349.db2.gz GOBWXVWYTGKLIF-OLMTUDMXSA-N 2 0 268.470 2.733 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901645 770708792 /nfs/dbraw/zinc/70/87/92/770708792.db2.gz JEMXSFXYICOEEV-CHWSQXEVSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1CC[NH3+] ZINC000723901797 770710379 /nfs/dbraw/zinc/71/03/79/770710379.db2.gz KFSVDFJFTGTFOY-VXGBXAGGSA-N 2 0 281.469 2.857 20 0 CFADRP CC[N@@H+](Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000094011466 770780082 /nfs/dbraw/zinc/78/00/82/770780082.db2.gz CJFRCMYMUUUWNQ-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP c1ccc(C2CC([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)cc1 ZINC000690728037 770789127 /nfs/dbraw/zinc/78/91/27/770789127.db2.gz XUVAPIIVTZNLEJ-MXJCNXPZSA-N 2 0 268.404 2.519 20 0 CFADRP CC[NH+](CC)Cc1cc(-n2cccc2C[NH3+])ccc1OC ZINC001167595615 770958378 /nfs/dbraw/zinc/95/83/78/770958378.db2.gz HILWYTRSXZBEEM-UHFFFAOYSA-N 2 0 287.407 2.786 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000693676362 773212847 /nfs/dbraw/zinc/21/28/47/773212847.db2.gz HXFOBZCYEIEDOY-QVHKTLOISA-N 2 0 268.470 2.638 20 0 CFADRP c1ccc2c(c1)NC[C@H]1C[N@@H+](CC[C@@H]3CCCC[NH2+]3)C[C@H]21 ZINC001224118902 775105075 /nfs/dbraw/zinc/10/50/75/775105075.db2.gz MDEDLZPWZZIGJZ-ZOBUZTSGSA-N 2 0 285.435 2.660 20 0 CFADRP C[NH+](C)CC[C@H](O[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001224131673 775107760 /nfs/dbraw/zinc/10/77/60/775107760.db2.gz SEZIQZNOBLEJAL-SJORKVTESA-N 2 0 276.424 2.790 20 0 CFADRP CSCCCCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405403597 775208063 /nfs/dbraw/zinc/20/80/63/775208063.db2.gz KYGMLTJGYJHDFD-OLZOCXBDSA-N 2 0 256.459 2.769 20 0 CFADRP OCc1ccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001140682045 775241459 /nfs/dbraw/zinc/24/14/59/775241459.db2.gz SRYDEHMHRIFENE-OAHLLOKOSA-N 2 0 292.423 2.612 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCO2 ZINC000693922443 775259342 /nfs/dbraw/zinc/25/93/42/775259342.db2.gz ZYZJHAYQMAYMBO-CZUORRHYSA-N 2 0 274.408 2.756 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC)cc2)C1 ZINC000725111059 775275167 /nfs/dbraw/zinc/27/51/67/775275167.db2.gz KGQWYKSSSNHAQF-MRXNPFEDSA-N 2 0 278.465 2.981 20 0 CFADRP CC[NH+](CC)CCO[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001224931855 775309468 /nfs/dbraw/zinc/30/94/68/775309468.db2.gz NBSQNTXOBVLZPM-WMZOPIPTSA-N 2 0 290.451 2.865 20 0 CFADRP C[NH+](C)Cc1ccc(O[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001225331211 775413558 /nfs/dbraw/zinc/41/35/58/775413558.db2.gz YCZYZBNBLOQZFX-HNNXBMFYSA-N 2 0 262.397 2.611 20 0 CFADRP C[NH+](C)Cc1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001225331956 775415113 /nfs/dbraw/zinc/41/51/13/775415113.db2.gz GWNRUIPPDXBJLQ-VQFNDLOPSA-N 2 0 288.435 2.857 20 0 CFADRP [NH3+]Cc1nn(-c2cc[nH+]c(C3CC3)c2)c2ccccc12 ZINC001167700429 775533536 /nfs/dbraw/zinc/53/35/36/775533536.db2.gz HVJYIYHNUMZVOB-UHFFFAOYSA-N 2 0 264.332 2.757 20 0 CFADRP C[C@H]1CN(Cc2cscc2Br)C[C@H]1C[NH3+] ZINC000708861934 775572038 /nfs/dbraw/zinc/57/20/38/775572038.db2.gz CROXUUXRSDNSCY-DTWKUNHWSA-N 2 0 289.242 2.537 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)C1 ZINC000328353844 775741430 /nfs/dbraw/zinc/74/14/30/775741430.db2.gz OJARUSUCCVFORP-HZSPNIEDSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc[nH+]c(N)c1 ZINC001226653150 775904901 /nfs/dbraw/zinc/90/49/01/775904901.db2.gz WPWSNVDAMVMLMI-YOEHRIQHSA-N 2 0 297.402 2.953 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001207479806 775932597 /nfs/dbraw/zinc/93/25/97/775932597.db2.gz OPJQBGJPIJNCPD-HNNXBMFYSA-N 2 0 256.409 2.932 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222422172 776141190 /nfs/dbraw/zinc/14/11/90/776141190.db2.gz SNRTYVGSPDRZOD-KRWDZBQOSA-N 2 0 279.472 2.517 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC[C@H](O)c2ccccc2)CC1 ZINC000721334987 776428263 /nfs/dbraw/zinc/42/82/63/776428263.db2.gz SMAHXFIQYNELQL-JCYILVPMSA-N 2 0 276.424 2.573 20 0 CFADRP Clc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000692871035 776467387 /nfs/dbraw/zinc/46/73/87/776467387.db2.gz DUIZCHACKOXMAQ-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP C(CC1CC1)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692877782 776478286 /nfs/dbraw/zinc/47/82/86/776478286.db2.gz MWMGWEMIQLXZMM-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C)[NH+](CC)CC ZINC001228559692 776521456 /nfs/dbraw/zinc/52/14/56/776521456.db2.gz XPXZMCJVGMPGDM-BZUAXINKSA-N 2 0 297.487 2.532 20 0 CFADRP CC[NH2+]CC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000399342917 776525261 /nfs/dbraw/zinc/52/52/61/776525261.db2.gz IJRMXAMVDVZQJV-GFCCVEGCSA-N 2 0 279.255 2.892 20 0 CFADRP CCO[C@@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167825236 776545261 /nfs/dbraw/zinc/54/52/61/776545261.db2.gz IFZOOVAEDAGHQI-HZPDHXFCSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2ccncc2C1 ZINC001167826195 776547550 /nfs/dbraw/zinc/54/75/50/776547550.db2.gz OPZNNARJTLZQQJ-HNNXBMFYSA-N 2 0 275.440 2.950 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C)(C(=O)OC)CC1 ZINC001167826193 776547839 /nfs/dbraw/zinc/54/78/39/776547839.db2.gz ONWJNCSFCAPCQD-HNNXBMFYSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001167833601 776570668 /nfs/dbraw/zinc/57/06/68/776570668.db2.gz CXBQSHKSVLEOHH-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001167834178 776574511 /nfs/dbraw/zinc/57/45/11/776574511.db2.gz IOJGYXCIQQQTHF-HOTGVXAUSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N2CCC2)CC1 ZINC001167834475 776577029 /nfs/dbraw/zinc/57/70/29/776577029.db2.gz KJGBCRVMOQBAFF-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001167834866 776579301 /nfs/dbraw/zinc/57/93/01/776579301.db2.gz NLWNNHBQKSWSDG-QLFBSQMISA-N 2 0 256.434 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@@H]1CCCOC1 ZINC001167835631 776584751 /nfs/dbraw/zinc/58/47/51/776584751.db2.gz SCGLFOVNPAMDCU-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001167838433 776586933 /nfs/dbraw/zinc/58/69/33/776586933.db2.gz UNECHIZXHCWUOZ-CABCVRRESA-N 2 0 270.461 2.732 20 0 CFADRP CC[C@H]1COCC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167836768 776587747 /nfs/dbraw/zinc/58/77/47/776587747.db2.gz GWPNWNMBJKUGHW-CABCVRRESA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC001167838307 776588809 /nfs/dbraw/zinc/58/88/09/776588809.db2.gz STIWUMRESBEIGC-HOTGVXAUSA-N 2 0 270.461 2.591 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001167838077 776589324 /nfs/dbraw/zinc/58/93/24/776589324.db2.gz PIJPLJLEGKRZAT-OAGGEKHMSA-N 2 0 269.477 2.521 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(c2cccnc2)C1 ZINC001167838074 776589515 /nfs/dbraw/zinc/58/95/15/776589515.db2.gz PIIBKTSQLFTHCR-HNNXBMFYSA-N 2 0 275.440 2.991 20 0 CFADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167840354 776598091 /nfs/dbraw/zinc/59/80/91/776598091.db2.gz FISRZRZIYLHSTG-KURKYZTESA-N 3 0 295.515 2.771 20 0 CFADRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]2C1 ZINC001167840357 776598304 /nfs/dbraw/zinc/59/83/04/776598304.db2.gz FISRZRZIYLHSTG-RCCFBDPRSA-N 3 0 295.515 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001167841648 776608225 /nfs/dbraw/zinc/60/82/25/776608225.db2.gz NLWNNHBQKSWSDG-RBSFLKMASA-N 2 0 256.434 2.606 20 0 CFADRP C[N@@H+]1CCc2cc(OC3CC[NH+](C4CC4)CC3)ccc2C1 ZINC001228936827 776663397 /nfs/dbraw/zinc/66/33/97/776663397.db2.gz NVMUMGSCECWAQR-UHFFFAOYSA-N 2 0 286.419 2.680 20 0 CFADRP Cc1ccc2c(C)cc(NC(=[NH2+])NCCCC[NH3+])nc2c1 ZINC001167881230 776714328 /nfs/dbraw/zinc/71/43/28/776714328.db2.gz YLIQDNJBRVRYDM-UHFFFAOYSA-N 2 0 285.395 2.527 20 0 CFADRP Cc1cc2ccccc2c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167884378 776717624 /nfs/dbraw/zinc/71/76/24/776717624.db2.gz VUOCYLJBFUWLOW-UHFFFAOYSA-N 2 0 270.380 2.823 20 0 CFADRP Clc1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000709867641 776796197 /nfs/dbraw/zinc/79/61/97/776796197.db2.gz KETHACPOJPVVAY-MRXNPFEDSA-N 2 0 278.827 2.958 20 0 CFADRP C[C@H](c1cccc(OC2CC[NH+](C)CC2)c1)[NH+](C)C ZINC001229628860 776860229 /nfs/dbraw/zinc/86/02/29/776860229.db2.gz XHQLMHNRSNBFAG-CYBMUJFWSA-N 2 0 262.397 2.782 20 0 CFADRP Cc1cc(OC(C)C)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167916893 776891772 /nfs/dbraw/zinc/89/17/72/776891772.db2.gz ZJLGDGDIMANFDP-UHFFFAOYSA-N 2 0 267.398 2.821 20 0 CFADRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918134 776914407 /nfs/dbraw/zinc/91/44/07/776914407.db2.gz GHQQWWAHBGIDDH-SCAQPMJSSA-N 2 0 288.410 2.960 20 0 CFADRP C(C[NH+]1CCCC1)OCC1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167932691 776970653 /nfs/dbraw/zinc/97/06/53/776970653.db2.gz YMXVYWIRXBVYNF-BCDXTJNWSA-N 2 0 292.467 2.609 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001204727776 776974116 /nfs/dbraw/zinc/97/41/16/776974116.db2.gz OOSVODZEDHQEGD-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cccnc12 ZINC001231492690 777240038 /nfs/dbraw/zinc/24/00/38/777240038.db2.gz CIKTZXWETULAAF-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP CCc1ccc(CN2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)s1 ZINC001231504363 777245028 /nfs/dbraw/zinc/24/50/28/777245028.db2.gz YTWLOBWLQROQGY-BETUJISGSA-N 2 0 264.438 2.694 20 0 CFADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167960756 777305363 /nfs/dbraw/zinc/30/53/63/777305363.db2.gz BOVKNXHULAVEME-AYHJJNSGSA-N 2 0 285.435 2.885 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1ccnc(C(F)F)c1 ZINC001231892055 777369585 /nfs/dbraw/zinc/36/95/85/777369585.db2.gz QCJYEJNSEJWSIY-UHFFFAOYSA-N 2 0 271.355 2.793 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccnc(C(F)F)c1)CC2 ZINC001231892121 777369927 /nfs/dbraw/zinc/36/99/27/777369927.db2.gz UPGBLKSUBSKZJP-UHFFFAOYSA-N 2 0 281.350 2.547 20 0 CFADRP COc1cccc2c(C[NH+]3CC4(C3)CC[NH+](C)CC4)c[nH]c21 ZINC001231899520 777375227 /nfs/dbraw/zinc/37/52/27/777375227.db2.gz QSPNSQNZQQLXIM-UHFFFAOYSA-N 2 0 299.418 2.704 20 0 CFADRP COc1cccc2c(C[NH+]3CCC4(C[NH+](C)C4)CC3)c[nH]c21 ZINC001231899213 777375659 /nfs/dbraw/zinc/37/56/59/777375659.db2.gz MHGSDSFUBJOQJK-UHFFFAOYSA-N 2 0 299.418 2.704 20 0 CFADRP CC(C)(CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964017 777388583 /nfs/dbraw/zinc/38/85/83/777388583.db2.gz KKZPEXDQXJUIHL-ALOPSCKCSA-N 2 0 294.483 2.780 20 0 CFADRP F[C@H]1COC2(C1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232015394 777412805 /nfs/dbraw/zinc/41/28/05/777412805.db2.gz GHYXEOHARQRKIQ-CYBMUJFWSA-N 2 0 289.354 2.656 20 0 CFADRP CCCO[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013888 777412981 /nfs/dbraw/zinc/41/29/81/777412981.db2.gz HOJCYYXWNJZRQV-CQSZACIVSA-N 2 0 259.353 2.564 20 0 CFADRP c1c(C[N@@H+]2CCC[C@]3(CCOC3)C2)[nH]c2cc[nH+]cc12 ZINC001232012778 777413066 /nfs/dbraw/zinc/41/30/66/777413066.db2.gz RAKGMNGZCPUKEH-INIZCTEOSA-N 2 0 271.364 2.565 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)[nH]c2cc[nH+]cc12 ZINC001232015834 777413852 /nfs/dbraw/zinc/41/38/52/777413852.db2.gz MUTRWYVDSSRWIU-MRXNPFEDSA-N 2 0 294.358 2.611 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCCCC2)c1 ZINC001232143224 777449991 /nfs/dbraw/zinc/44/99/91/777449991.db2.gz AIJVKWDXWMSOFF-UHFFFAOYSA-N 2 0 250.361 2.873 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982182 777451268 /nfs/dbraw/zinc/45/12/68/777451268.db2.gz ZMXZIIIMPIYIOZ-QCLGFWRNSA-N 2 0 292.467 2.939 20 0 CFADRP CO[C@H]1CCC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145969 777451474 /nfs/dbraw/zinc/45/14/74/777451474.db2.gz FXTHFHSDJSYSDP-KRWDZBQOSA-N 2 0 294.414 2.888 20 0 CFADRP COC1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983848 777455213 /nfs/dbraw/zinc/45/52/13/777455213.db2.gz JVHJOQWZXQRJFR-SJPCQFCGSA-N 2 0 292.467 2.893 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccns2)CC1 ZINC001232193241 777467836 /nfs/dbraw/zinc/46/78/36/777467836.db2.gz WNGKKROASZOMAW-UHFFFAOYSA-N 2 0 267.442 2.695 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccnc(C(C)(C)C)c3)C[C@@H]2C1 ZINC001232216273 777477829 /nfs/dbraw/zinc/47/78/29/777477829.db2.gz WNYCOGZDFXMODI-CVEARBPZSA-N 2 0 287.451 2.763 20 0 CFADRP C[NH+](C)CCNc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC001161671049 777481534 /nfs/dbraw/zinc/48/15/34/777481534.db2.gz HJGWESFWFKQGDL-UHFFFAOYSA-N 2 0 283.297 2.649 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204748678 777481587 /nfs/dbraw/zinc/48/15/87/777481587.db2.gz OZNAUKUIVRZNCX-JKSUJKDBSA-N 2 0 268.445 2.809 20 0 CFADRP C[NH+]1CCC(C2CC[NH+](Cc3cnsc3)CC2)CC1 ZINC001232228325 777481841 /nfs/dbraw/zinc/48/18/41/777481841.db2.gz ZEOLWDDOIJSNMN-UHFFFAOYSA-N 2 0 279.453 2.697 20 0 CFADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc(C2([NH3+])CC2)cc1 ZINC001167992765 777523169 /nfs/dbraw/zinc/52/31/69/777523169.db2.gz UGJFEDDNZHLBPF-UHFFFAOYSA-N 2 0 284.338 2.805 20 0 CFADRP CSc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001232328877 777523653 /nfs/dbraw/zinc/52/36/53/777523653.db2.gz NZMYDIVDHVAXFI-UHFFFAOYSA-N 2 0 279.453 2.577 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@]3(CCO3)C1)C2 ZINC001167994669 777528431 /nfs/dbraw/zinc/52/84/31/777528431.db2.gz JSENCAWTDZEGCK-WFFDWFOESA-N 2 0 290.451 2.647 20 0 CFADRP CCO[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995388 777529834 /nfs/dbraw/zinc/52/98/34/777529834.db2.gz DBTWOMBJNDTIHN-WFFDWFOESA-N 2 0 292.467 2.893 20 0 CFADRP CSc1cc(C)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC001232350153 777532967 /nfs/dbraw/zinc/53/29/67/777532967.db2.gz OXSRTDYVEATYDC-MRXNPFEDSA-N 2 0 291.464 2.640 20 0 CFADRP CCO[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168004300 777571267 /nfs/dbraw/zinc/57/12/67/777571267.db2.gz SLSKPFUSKPGCMK-FCLJQHQZSA-N 2 0 278.440 2.503 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168004916 777573794 /nfs/dbraw/zinc/57/37/94/777573794.db2.gz BUABIPQOLWSEII-SCAQPMJSSA-N 2 0 290.451 2.789 20 0 CFADRP COCC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005821 777577064 /nfs/dbraw/zinc/57/70/64/777577064.db2.gz KNMGGLHBTPLGNG-GJZGRUSLSA-N 2 0 276.424 2.664 20 0 CFADRP C[C@H]1CC(n2cncc2C[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006185 777579811 /nfs/dbraw/zinc/57/98/11/777579811.db2.gz MIOPMEGIHHNNKJ-GJZGRUSLSA-N 2 0 298.434 2.956 20 0 CFADRP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(c2cc[nH+]cc2)C3)c1 ZINC001277693711 777628229 /nfs/dbraw/zinc/62/82/29/777628229.db2.gz JSQJGKWCCHGVRF-SFHVURJKSA-N 2 0 296.418 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015218 777646904 /nfs/dbraw/zinc/64/69/04/777646904.db2.gz PPERTPQXSVVHDZ-VPNALOTQSA-N 2 0 288.435 2.541 20 0 CFADRP Cc1cccnc1N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001277707563 777653211 /nfs/dbraw/zinc/65/32/11/777653211.db2.gz JEEQODYADYINHQ-MRXNPFEDSA-N 2 0 259.397 2.702 20 0 CFADRP C[C@H](C[NH3+])CNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168031105 777732783 /nfs/dbraw/zinc/73/27/83/777732783.db2.gz XWHZOXPUCAMOCY-BZUAXINKSA-N 2 0 289.467 2.612 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC001205009542 777794745 /nfs/dbraw/zinc/79/47/45/777794745.db2.gz WKGWLVOAHJAXHN-HNNXBMFYSA-N 2 0 276.424 2.743 20 0 CFADRP COc1cc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC001233343737 777900948 /nfs/dbraw/zinc/90/09/48/777900948.db2.gz YZMKDILVSRYZBR-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168092864 778025061 /nfs/dbraw/zinc/02/50/61/778025061.db2.gz JNZCCCRIMFFUKQ-HOCLYGCPSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCO1 ZINC001168094906 778031988 /nfs/dbraw/zinc/03/19/88/778031988.db2.gz XWRLIOHCCLASJZ-BBRMVZONSA-N 2 0 292.398 2.643 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CCO1 ZINC001168101024 778043402 /nfs/dbraw/zinc/04/34/02/778043402.db2.gz KMIJGBFNQUHVBU-WBVHZDCISA-N 2 0 288.435 2.590 20 0 CFADRP CC[C@@H](C)[NH+]1CCC2(CCC[N@H+](COCCOC)C2)CC1 ZINC001277806852 778073620 /nfs/dbraw/zinc/07/36/20/778073620.db2.gz JQYMBLZZMAWITJ-MRXNPFEDSA-N 2 0 298.471 2.583 20 0 CFADRP CC[C@H](C)[N@@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277808596 778082287 /nfs/dbraw/zinc/08/22/87/778082287.db2.gz ZUXBXLQPQVHUHV-DLBZAZTESA-N 2 0 281.488 2.525 20 0 CFADRP Cc1ccc(C(F)(F)F)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978260 778344195 /nfs/dbraw/zinc/34/41/95/778344195.db2.gz HRVCQUUJTPOGOE-BETUJISGSA-N 2 0 284.325 2.665 20 0 CFADRP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978106 778344445 /nfs/dbraw/zinc/34/44/45/778344445.db2.gz GIEHXHRIGZMXOM-BETUJISGSA-N 2 0 272.417 2.861 20 0 CFADRP Fc1ccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001234995418 778348880 /nfs/dbraw/zinc/34/88/80/778348880.db2.gz WXSIUIATOWIKFX-QGZVFWFLSA-N 2 0 276.399 2.834 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235025506 778356922 /nfs/dbraw/zinc/35/69/22/778356922.db2.gz DEEHRVVUAJZWGB-MAUKXSAKSA-N 2 0 266.388 2.942 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235030890 778360440 /nfs/dbraw/zinc/36/04/40/778360440.db2.gz HXUCIFUDJAZOKC-MRXNPFEDSA-N 2 0 278.827 2.958 20 0 CFADRP CCOc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1CC ZINC001235034054 778360878 /nfs/dbraw/zinc/36/08/78/778360878.db2.gz SXXPSMYHDRPRAS-SFHVURJKSA-N 2 0 288.435 2.833 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041371 778363688 /nfs/dbraw/zinc/36/36/88/778363688.db2.gz POQJCNZBGFULPZ-VVLHAWIVSA-N 2 0 260.425 2.807 20 0 CFADRP c1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc2c1NCC2 ZINC001235131846 778394981 /nfs/dbraw/zinc/39/49/81/778394981.db2.gz CSRBKJYFRIZAMS-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235151011 778397390 /nfs/dbraw/zinc/39/73/90/778397390.db2.gz CJKYQKAJCJWVAG-SFHVURJKSA-N 2 0 288.435 2.920 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC001235193450 778409652 /nfs/dbraw/zinc/40/96/52/778409652.db2.gz LYDFXRKKZTZGIS-IAGOWNOFSA-N 2 0 281.403 2.519 20 0 CFADRP COC(=O)CCCCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168290166 778410080 /nfs/dbraw/zinc/41/00/80/778410080.db2.gz AOHPTMXXPZLVJU-UHFFFAOYSA-N 2 0 284.444 2.572 20 0 CFADRP COc1cccc(OCC[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168294718 778410685 /nfs/dbraw/zinc/41/06/85/778410685.db2.gz DGGIOCRSQIBCCB-UHFFFAOYSA-N 2 0 292.423 2.536 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC001168294916 778411100 /nfs/dbraw/zinc/41/11/00/778411100.db2.gz GVDYOZICLBIGNE-UHFFFAOYSA-N 2 0 280.387 2.667 20 0 CFADRP C[C@H](CCCC(C)(C)O)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298312 778411504 /nfs/dbraw/zinc/41/15/04/778411504.db2.gz LVINPEJVZCRRSP-WLYUNCDWSA-N 2 0 270.461 2.779 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccn1 ZINC001168298347 778411652 /nfs/dbraw/zinc/41/16/52/778411652.db2.gz OBUAWDOXVHFTLN-NRXISQOPSA-N 2 0 261.413 2.995 20 0 CFADRP C[C@H](CN1CCC(C)CC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298378 778412153 /nfs/dbraw/zinc/41/21/53/778412153.db2.gz QBTMXNRAFAIRRV-KLAILNCOSA-N 2 0 281.488 2.569 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2COc3ccccc3C2)CC1 ZINC001168304757 778418661 /nfs/dbraw/zinc/41/86/61/778418661.db2.gz CIDFLBXJXNUHKO-OOHWJJMZSA-N 2 0 288.435 2.700 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001168304332 778418682 /nfs/dbraw/zinc/41/86/82/778418682.db2.gz WQFQAOYZWINVKC-UHFFFAOYSA-N 2 0 261.413 2.779 20 0 CFADRP COc1ccc(CC[NH2+]C2CCC([NH+](C)C)CC2)c(F)c1 ZINC001168304102 778418748 /nfs/dbraw/zinc/41/87/48/778418748.db2.gz PGQQSBTXJQIQDO-UHFFFAOYSA-N 2 0 294.414 2.839 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168304920 778418794 /nfs/dbraw/zinc/41/87/94/778418794.db2.gz BCRVXEASNRDRNU-ROKGUOHRSA-N 3 0 293.499 2.984 20 0 CFADRP CCCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225861 778421484 /nfs/dbraw/zinc/42/14/84/778421484.db2.gz VUYOFHWECNJJNK-RYUDHWBXSA-N 2 0 264.335 2.650 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235230538 778422795 /nfs/dbraw/zinc/42/27/95/778422795.db2.gz OJYGKAWPWSYDKT-INIZCTEOSA-N 2 0 275.440 2.986 20 0 CFADRP c1c2cccnc2[nH]c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230269 778423196 /nfs/dbraw/zinc/42/31/96/778423196.db2.gz UUGQIKWVWNYSTN-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235233833 778424297 /nfs/dbraw/zinc/42/42/97/778424297.db2.gz UFMSLPUYLSJSFW-OAHLLOKOSA-N 2 0 290.455 2.635 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2Cc3ccc(F)cc3C2)CC1 ZINC001168312478 778424293 /nfs/dbraw/zinc/42/42/93/778424293.db2.gz YXUSMBSSQCVUEQ-AQFXKWCLSA-N 2 0 276.399 2.755 20 0 CFADRP COc1ccoc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236286 778425356 /nfs/dbraw/zinc/42/53/56/778425356.db2.gz DOQOSCDXOGEKHL-AWEZNQCLSA-N 2 0 278.396 2.642 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCCC(F)(F)CC2)CC1 ZINC001168314100 778425607 /nfs/dbraw/zinc/42/56/07/778425607.db2.gz JUXWUKVXZAUCQJ-UHFFFAOYSA-N 2 0 260.372 2.980 20 0 CFADRP COc1cccc2c1C[N@@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168315689 778426551 /nfs/dbraw/zinc/42/65/51/778426551.db2.gz ZWIUKTDTUNGRDQ-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC001168315063 778426939 /nfs/dbraw/zinc/42/69/39/778426939.db2.gz QNLHEKBXPAULGR-DAWZGUTISA-N 2 0 288.435 2.933 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001168315037 778427023 /nfs/dbraw/zinc/42/70/23/778427023.db2.gz PTUJUKPHBYNMKG-WXRRBKDZSA-N 2 0 278.362 2.928 20 0 CFADRP CCCn1cnc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235242076 778429080 /nfs/dbraw/zinc/42/90/80/778429080.db2.gz QSFVGBBLIAKMMC-KRWDZBQOSA-N 2 0 290.455 2.647 20 0 CFADRP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC001168316089 778429315 /nfs/dbraw/zinc/42/93/15/778429315.db2.gz VMTAFLIZSHTUIG-VXLLPVPCSA-N 3 0 281.488 2.568 20 0 CFADRP CSCCCN1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248340 778430683 /nfs/dbraw/zinc/43/06/83/778430683.db2.gz QTSLOWPXHSUKTA-IAGOWNOFSA-N 2 0 290.476 2.961 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249602 778432249 /nfs/dbraw/zinc/43/22/49/778432249.db2.gz TWEKYGZAPQYVQV-BZZMCLGOSA-N 2 0 270.420 2.864 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235253924 778433610 /nfs/dbraw/zinc/43/36/10/778433610.db2.gz GGOSXTZVXAZRSJ-HIFRSBDPSA-N 2 0 298.352 2.932 20 0 CFADRP CCc1ccccc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335837 778459299 /nfs/dbraw/zinc/45/92/99/778459299.db2.gz RTSQRYNDSUBHKP-UHFFFAOYSA-N 2 0 258.409 2.680 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)c(C)c1Cl ZINC001235340149 778460179 /nfs/dbraw/zinc/46/01/79/778460179.db2.gz ICNVLSNOEXNGKO-AWEZNQCLSA-N 2 0 278.827 2.998 20 0 CFADRP CC(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235364294 778469971 /nfs/dbraw/zinc/46/99/71/778469971.db2.gz XJYJYDDMTGFSKT-QZTJIDSGSA-N 2 0 272.436 2.896 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379773 778470649 /nfs/dbraw/zinc/47/06/49/778470649.db2.gz QPKKIKDHPFNVHJ-DDBAPUKQSA-N 2 0 270.420 2.722 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)CC(C)(C)C ZINC001235369500 778470744 /nfs/dbraw/zinc/47/07/44/778470744.db2.gz RNAAZNFWPOXKHI-YFHUEUNASA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(O)cc1 ZINC001168359496 778471610 /nfs/dbraw/zinc/47/16/10/778471610.db2.gz ATQOKLBHQFWOAY-CQSZACIVSA-N 2 0 288.435 2.960 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001235400689 778475620 /nfs/dbraw/zinc/47/56/20/778475620.db2.gz DLPKAQYBSMSTTH-MSOLQXFVSA-N 2 0 288.410 2.699 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400007 778475673 /nfs/dbraw/zinc/47/56/73/778475673.db2.gz BODJQNNKODERDX-IAGOWNOFSA-N 2 0 276.399 2.561 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235402853 778476798 /nfs/dbraw/zinc/47/67/98/778476798.db2.gz JZNZCKCNLJTEMH-CVEARBPZSA-N 2 0 296.817 2.906 20 0 CFADRP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](CCCC1CCCC1)C2 ZINC001235409025 778480070 /nfs/dbraw/zinc/48/00/70/778480070.db2.gz VRKDEYFSLBIBLG-JKSUJKDBSA-N 2 0 268.420 2.980 20 0 CFADRP CCOc1cc(C[N@H+](C)CC2CC[NH2+]CC2)ccc1C ZINC001235431733 778488137 /nfs/dbraw/zinc/48/81/37/778488137.db2.gz BTKZRZKZWIORSV-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP Oc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235431740 778488480 /nfs/dbraw/zinc/48/84/80/778488480.db2.gz VRZIVICAYMHJHJ-KBPBESRZSA-N 2 0 292.398 2.743 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])cc(C(F)(F)F)c1 ZINC001235435652 778489387 /nfs/dbraw/zinc/48/93/87/778489387.db2.gz SNMGJFJYTHCCMI-UHFFFAOYSA-N 2 0 260.303 2.794 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235664712 778530691 /nfs/dbraw/zinc/53/06/91/778530691.db2.gz KVDBUVZNKQUQAJ-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP Cc1ccccc1O[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235673842 778531828 /nfs/dbraw/zinc/53/18/28/778531828.db2.gz ILKDVIZASNZADI-DLBZAZTESA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccccc1O[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235676113 778533067 /nfs/dbraw/zinc/53/30/67/778533067.db2.gz WOLABJLRNPQZQQ-IRXDYDNUSA-N 2 0 288.435 2.980 20 0 CFADRP CCCCCC[NH+]1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC001235692799 778539303 /nfs/dbraw/zinc/53/93/03/778539303.db2.gz TYAHQAAOENQNFZ-UHFFFAOYSA-N 2 0 289.467 2.843 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235713056 778544800 /nfs/dbraw/zinc/54/48/00/778544800.db2.gz GXRKXBQUUFXEIA-UHFFFAOYSA-N 2 0 281.403 2.663 20 0 CFADRP c1ccc(CCCC[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711897 778544839 /nfs/dbraw/zinc/54/48/39/778544839.db2.gz URPKSTKRECINNC-UHFFFAOYSA-N 2 0 258.409 2.695 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(O)cc1Cl ZINC001235716893 778545296 /nfs/dbraw/zinc/54/52/96/778545296.db2.gz LPDGWONIZGLSFV-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP Cc1c(F)cccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235715772 778545938 /nfs/dbraw/zinc/54/59/38/778545938.db2.gz VZIXDYYORIBRDJ-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP CC[C@H]1CN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC[NH2+]1 ZINC001235735738 778550812 /nfs/dbraw/zinc/55/08/12/778550812.db2.gz OPOVWRPRDCTNSM-KRWDZBQOSA-N 2 0 299.462 2.872 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[NH2+]C(C)(C)C3)cc21 ZINC001235838193 778575049 /nfs/dbraw/zinc/57/50/49/778575049.db2.gz QXRPLMXHKPEIDW-UHFFFAOYSA-N 2 0 299.462 2.872 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCCCC1)CCc1cccnc1 ZINC001235841913 778576707 /nfs/dbraw/zinc/57/67/07/778576707.db2.gz JUOMSBKJAGXDIO-UHFFFAOYSA-N 2 0 275.440 2.868 20 0 CFADRP c1cc2n(c1C[N@@H+]1CCC[C@@H]3CCCC[C@H]31)CC[NH2+]C2 ZINC001235867326 778585702 /nfs/dbraw/zinc/58/57/02/778585702.db2.gz OMLFAFCWGFFZOV-WMLDXEAASA-N 2 0 273.424 2.746 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1CCN2 ZINC001235886461 778591661 /nfs/dbraw/zinc/59/16/61/778591661.db2.gz BFTQFJOUQDVCRB-QGZVFWFLSA-N 2 0 285.435 2.619 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929048 778612805 /nfs/dbraw/zinc/61/28/05/778612805.db2.gz GOGFYICPUPVCKA-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP c1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2cccccc1-2 ZINC001235933977 778615360 /nfs/dbraw/zinc/61/53/60/778615360.db2.gz AQBLCEKBKDTCGB-WBVHZDCISA-N 2 0 266.388 2.833 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1OC(C)C ZINC001235935363 778616414 /nfs/dbraw/zinc/61/64/14/778616414.db2.gz DJSOYTZRLFHDAL-RDJZCZTQSA-N 2 0 288.435 2.824 20 0 CFADRP Cc1c(Cl)cccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235942068 778619026 /nfs/dbraw/zinc/61/90/26/778619026.db2.gz XWTQYFLLDJUTFK-ZIAGYGMSSA-N 2 0 264.800 2.690 20 0 CFADRP COCC[N@H+](Cc1cc(C)c(C)cc1C)C1CC[NH2+]CC1 ZINC001235944502 778620144 /nfs/dbraw/zinc/62/01/44/778620144.db2.gz ONPQHNIGTDONRB-UHFFFAOYSA-N 2 0 290.451 2.812 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2c(c1)CCCC2 ZINC001235943849 778620596 /nfs/dbraw/zinc/62/05/96/778620596.db2.gz ZGMLFRMWUCUWOS-RDJZCZTQSA-N 2 0 270.420 2.607 20 0 CFADRP CC1=C[C@H](C)[C@@H](C[N@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC001235952469 778625166 /nfs/dbraw/zinc/62/51/66/778625166.db2.gz XTWIXDNTSZGRJQ-HRCADAONSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH2+]2 ZINC000721883679 778625612 /nfs/dbraw/zinc/62/56/12/778625612.db2.gz VFPDLVYWSIPTAS-HLZFJGBKSA-N 2 0 280.456 2.699 20 0 CFADRP Fc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168368329 778626439 /nfs/dbraw/zinc/62/64/39/778626439.db2.gz INBWUGWJTWAKBE-SFHVURJKSA-N 2 0 288.410 2.757 20 0 CFADRP CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])s1 ZINC001235958419 778626769 /nfs/dbraw/zinc/62/67/69/778626769.db2.gz DYXHRZLYBWMFGE-JJLQDPRZSA-N 2 0 264.438 2.870 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235958698 778628816 /nfs/dbraw/zinc/62/88/16/778628816.db2.gz BRBSCPWYEXRPEE-BJWYYQGGSA-N 2 0 256.393 2.733 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001235960090 778629173 /nfs/dbraw/zinc/62/91/73/778629173.db2.gz ORZGSVJNHXENSF-ALXJQNPVSA-N 2 0 281.403 2.646 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](CC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC001235960656 778629752 /nfs/dbraw/zinc/62/97/52/778629752.db2.gz WILUFSBLUWWGQW-ZWKOTPCHSA-N 2 0 288.435 2.635 20 0 CFADRP CCOc1ccc(C)c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC001235960052 778629899 /nfs/dbraw/zinc/62/98/99/778629899.db2.gz UMFQHABUYRMCTA-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235963950 778632513 /nfs/dbraw/zinc/63/25/13/778632513.db2.gz YUXZFQGKJICMFW-FIDHJVLJSA-N 2 0 280.456 2.715 20 0 CFADRP [NH3+][C@]12CC[C@H]1C[N@H+](CCCCCc1ccccc1)C2 ZINC001235978140 778637668 /nfs/dbraw/zinc/63/76/68/778637668.db2.gz IKBVXURMUDBKTO-IRXDYDNUSA-N 2 0 258.409 2.823 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(C)C)c(C)c2)C1 ZINC001236066879 778679732 /nfs/dbraw/zinc/67/97/32/778679732.db2.gz KGAFSLJJXKBINK-MRXNPFEDSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H](CC[N@@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1)CC(C)(C)C ZINC001236077796 778683183 /nfs/dbraw/zinc/68/31/83/778683183.db2.gz CMMBAYFUEXRHFG-WBVHZDCISA-N 2 0 295.515 2.804 20 0 CFADRP COc1cccc(CC2CC[NH+](CCCC[NH3+])CC2)c1 ZINC001236085110 778685975 /nfs/dbraw/zinc/68/59/75/778685975.db2.gz KPEIUNFUMCAYPS-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236093865 778688903 /nfs/dbraw/zinc/68/89/03/778688903.db2.gz LPRAFGZWRUEYEB-GJZGRUSLSA-N 2 0 296.455 2.715 20 0 CFADRP CCCC[C@H]1CN(CC2(C[NH+](C)C)CCCC2)CC[NH2+]1 ZINC001236135415 778709375 /nfs/dbraw/zinc/70/93/75/778709375.db2.gz OHPNQTVTOBYXBM-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C[N@H+](CCCC[NH3+])Cc1c[nH]c2cccc(Cl)c12 ZINC001236142187 778714446 /nfs/dbraw/zinc/71/44/46/778714446.db2.gz SDVGTLXORMXOGC-UHFFFAOYSA-N 2 0 265.788 2.992 20 0 CFADRP CCN(CC[NH2+]C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001236144217 778716132 /nfs/dbraw/zinc/71/61/32/778716132.db2.gz OSPMMWZHJCAQCH-GOSISDBHSA-N 2 0 289.467 2.582 20 0 CFADRP C[C@H]([NH3+])c1cccc(-c2cnn(CCC[NH+](C)C)c2)c1 ZINC001236154001 778720363 /nfs/dbraw/zinc/72/03/63/778720363.db2.gz QYMTZACKMDUGTO-ZDUSSCGKSA-N 2 0 272.396 2.522 20 0 CFADRP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC001236190802 778732083 /nfs/dbraw/zinc/73/20/83/778732083.db2.gz YFTKSEPNUITDTA-DYVFJYSZSA-N 2 0 269.392 2.914 20 0 CFADRP C[NH2+]C1CCC([N@H+](C)Cc2ccc3c(c2)CCN3)CC1 ZINC001236214482 778739138 /nfs/dbraw/zinc/73/91/38/778739138.db2.gz FZXCDNAZJLRUDZ-UHFFFAOYSA-N 2 0 273.424 2.617 20 0 CFADRP CN(CCC[NH2+]C1CCCCC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216070 778740290 /nfs/dbraw/zinc/74/02/90/778740290.db2.gz ZABGJWUEJYLEHZ-HZPDHXFCSA-N 2 0 267.461 2.501 20 0 CFADRP COc1ccccc1S[C@@H]1CC[N@H+](CCCC[NH3+])C1 ZINC001236229826 778746062 /nfs/dbraw/zinc/74/60/62/778746062.db2.gz FPWUVXDOHCIKES-CYBMUJFWSA-N 2 0 280.437 2.601 20 0 CFADRP C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288276 778761917 /nfs/dbraw/zinc/76/19/17/778761917.db2.gz YJQPPTNJRVKSPS-GOEBONIOSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288277 778762825 /nfs/dbraw/zinc/76/28/25/778762825.db2.gz YJQPPTNJRVKSPS-HOCLYGCPSA-N 2 0 258.409 2.897 20 0 CFADRP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1C ZINC001236314712 778773950 /nfs/dbraw/zinc/77/39/50/778773950.db2.gz FRXPSTDPNPGQQI-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP c1ccc2nc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236314891 778774420 /nfs/dbraw/zinc/77/44/20/778774420.db2.gz ICPDSTGYEVMSFN-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP Clc1ccsc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314425 778774471 /nfs/dbraw/zinc/77/44/71/778774471.db2.gz DVVYOARLVTWIMK-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c2c1 ZINC001236316405 778775589 /nfs/dbraw/zinc/77/55/89/778775589.db2.gz RZKJSVZJNWIAIF-GASCZTMLSA-N 2 0 283.419 2.908 20 0 CFADRP Nc1ccc(C2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236335133 778784565 /nfs/dbraw/zinc/78/45/65/778784565.db2.gz HECKFCRSENKVJL-GOSISDBHSA-N 2 0 287.451 2.980 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168396712 778786880 /nfs/dbraw/zinc/78/68/80/778786880.db2.gz HYZGWZGSMVZVDG-KRWDZBQOSA-N 2 0 276.399 2.614 20 0 CFADRP Cc1n[nH]c(C)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374422 778796144 /nfs/dbraw/zinc/79/61/44/778796144.db2.gz RDZXUXCVOYZRKU-HNNXBMFYSA-N 2 0 290.455 2.771 20 0 CFADRP CCc1cccc(C)c1C[N@H+](CC)C[C@@H]1CC[NH2+]C1 ZINC001236410149 778805056 /nfs/dbraw/zinc/80/50/56/778805056.db2.gz DUJGMUCNKLEPGC-OAHLLOKOSA-N 2 0 260.425 2.989 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2ncnc3c2CC[NH2+]C3)cc1 ZINC001236426249 778821417 /nfs/dbraw/zinc/82/14/17/778821417.db2.gz NXMMVOCSDWVMBF-UHFFFAOYSA-N 2 0 296.418 2.535 20 0 CFADRP CC[C@H]([NH3+])CN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452588 778832616 /nfs/dbraw/zinc/83/26/16/778832616.db2.gz GYIGOTICHLSZIF-HNNXBMFYSA-N 2 0 295.858 2.631 20 0 CFADRP [NH3+]Cc1cccc(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236551134 778875907 /nfs/dbraw/zinc/87/59/07/778875907.db2.gz MAPRSDDKZWESDB-IYARVYRRSA-N 3 0 287.451 2.627 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3cncc(O)c3)cc2)CC1 ZINC001236585054 778887151 /nfs/dbraw/zinc/88/71/51/778887151.db2.gz IYYVRHSKVSHSPJ-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC001236604768 778890917 /nfs/dbraw/zinc/89/09/17/778890917.db2.gz NDWAODIJLRAGJA-SFHVURJKSA-N 2 0 288.435 2.961 20 0 CFADRP CNc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236602517 778891656 /nfs/dbraw/zinc/89/16/56/778891656.db2.gz WQNPMRSZEWHBIB-OAHLLOKOSA-N 2 0 273.424 2.692 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCC2C[NH2+]C2)CC2CCCCC2)CC1 ZINC001236755861 778928840 /nfs/dbraw/zinc/92/88/40/778928840.db2.gz RMINORLRDJNJDV-IYARVYRRSA-N 3 0 293.499 2.748 20 0 CFADRP CCC(CC)[N@H+](CCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783275 778935096 /nfs/dbraw/zinc/93/50/96/778935096.db2.gz ROHSSDBVOLURGH-CTYIDZIISA-N 2 0 256.434 2.519 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3ccccc3Cl)C[C@H]12 ZINC001236817564 778951892 /nfs/dbraw/zinc/95/18/92/778951892.db2.gz DGYLSANZGAUDJV-IJEWVQPXSA-N 2 0 278.827 2.942 20 0 CFADRP CCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236826395 778954454 /nfs/dbraw/zinc/95/44/54/778954454.db2.gz CNJNJLROHDWULZ-SGIREYDYSA-N 2 0 294.826 2.908 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(CC)c1O ZINC001236826921 778955412 /nfs/dbraw/zinc/95/54/12/778955412.db2.gz DBAJGWGURYDVCZ-YESZJQIVSA-N 2 0 288.435 2.686 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@H]12 ZINC001236827269 778956101 /nfs/dbraw/zinc/95/61/01/778956101.db2.gz DZFWVKUGTNLVPN-RYQLBKOJSA-N 2 0 270.420 2.735 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001236832901 778957701 /nfs/dbraw/zinc/95/77/01/778957701.db2.gz XIEMYOMFNPFOPN-GVDBMIGSSA-N 2 0 258.409 2.808 20 0 CFADRP CCC[N@@H+](CC1Cc2ccccc2C1)C[C@@H]1CC[NH2+]C1 ZINC001236835394 778958890 /nfs/dbraw/zinc/95/88/90/778958890.db2.gz MVVXFCHCQVFBBI-OAHLLOKOSA-N 2 0 272.436 2.723 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1ccc(-c2ccncc2)cc1 ZINC001236868526 778968735 /nfs/dbraw/zinc/96/87/35/778968735.db2.gz LMRFUCVJUZEIKD-KRWDZBQOSA-N 2 0 269.392 2.918 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1ccc(Br)cc1C ZINC001236869483 778968835 /nfs/dbraw/zinc/96/88/35/778968835.db2.gz WMCHOASTNIIPOX-ZDUSSCGKSA-N 2 0 285.229 2.927 20 0 CFADRP C[NH+]1CCN(c2cccc(C[NH+]3C4CCC3CC4)c2)CC1 ZINC001236892169 778975497 /nfs/dbraw/zinc/97/54/97/778975497.db2.gz COTVXMXVFJROIP-UHFFFAOYSA-N 2 0 285.435 2.565 20 0 CFADRP CC1=C[C@H](C)[C@H](CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CC1 ZINC001236925371 778983045 /nfs/dbraw/zinc/98/30/45/778983045.db2.gz XLJKKXQJHLKXOI-BZSNNMDCSA-N 2 0 293.499 2.594 20 0 CFADRP Oc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc1 ZINC001236947258 778983674 /nfs/dbraw/zinc/98/36/74/778983674.db2.gz ISUFBVMWPJCDCJ-UHFFFAOYSA-N 2 0 288.435 2.994 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947286 778983843 /nfs/dbraw/zinc/98/38/43/778983843.db2.gz JEUIJTXTHVWJQJ-BBRMVZONSA-N 2 0 250.430 2.744 20 0 CFADRP C[NH+](C)CCCN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001278049756 779006469 /nfs/dbraw/zinc/00/64/69/779006469.db2.gz PVYVHEGFFQILEH-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CCN1CCc2ccc(C[N@@H+]3CCC[C@](C)(C[NH3+])C3)cc21 ZINC001237079773 779007975 /nfs/dbraw/zinc/00/79/75/779007975.db2.gz BCLTWXIVEDFIQZ-GOSISDBHSA-N 2 0 287.451 2.630 20 0 CFADRP c1cc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC001237142875 779025009 /nfs/dbraw/zinc/02/50/09/779025009.db2.gz CIEXTPNOBHXXFO-OAHLLOKOSA-N 2 0 288.391 2.522 20 0 CFADRP C[C@@H]1Cc2cc(Br)ccc2C[N@@H+]1CCCC[NH3+] ZINC001237237887 779058144 /nfs/dbraw/zinc/05/81/44/779058144.db2.gz YNJYHFGLHFGDDD-LLVKDONJSA-N 2 0 297.240 2.935 20 0 CFADRP [NH3+][C@H]1CCC12CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001237355460 779081598 /nfs/dbraw/zinc/08/15/98/779081598.db2.gz BOEAZXODLLAQIM-INIZCTEOSA-N 3 0 279.472 2.502 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237382168 779087595 /nfs/dbraw/zinc/08/75/95/779087595.db2.gz LZDZSFGRISHFOX-IRXDYDNUSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)cc1O ZINC001237389353 779092593 /nfs/dbraw/zinc/09/25/93/779092593.db2.gz FYZNHOMSXBAVJX-GOEBONIOSA-N 2 0 274.408 2.583 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2cccnc12 ZINC001237411259 779101298 /nfs/dbraw/zinc/10/12/98/779101298.db2.gz FBDRQTYAIACHDB-HOCLYGCPSA-N 2 0 297.402 2.514 20 0 CFADRP Cc1ccc(OCC[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001278126794 779155098 /nfs/dbraw/zinc/15/50/98/779155098.db2.gz QKBNUFYFHVWVQL-UHFFFAOYSA-N 2 0 288.435 2.792 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001205102183 779210589 /nfs/dbraw/zinc/21/05/89/779210589.db2.gz PMFKDPAIOACVBG-LBPRGKRZSA-N 2 0 261.344 2.620 20 0 CFADRP c1[nH+]cn2c1cccc2C[N@H+](C1CCC1)C1CCOCC1 ZINC001238115293 779257244 /nfs/dbraw/zinc/25/72/44/779257244.db2.gz HPTBYNJEHQFIGM-UHFFFAOYSA-N 2 0 285.391 2.868 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2cc3cccnc3s2)CC1 ZINC001205116545 779257405 /nfs/dbraw/zinc/25/74/05/779257405.db2.gz CBUGIXSAWAPMNF-GFCCVEGCSA-N 2 0 261.394 2.610 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001205116935 779259213 /nfs/dbraw/zinc/25/92/13/779259213.db2.gz JNNVGTBPJRAILH-LLVKDONJSA-N 2 0 278.787 2.530 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1cncc(C2CC2)c1 ZINC001238194734 779276359 /nfs/dbraw/zinc/27/63/59/779276359.db2.gz PHFQKOZULMKRTF-UHFFFAOYSA-N 2 0 261.413 2.733 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001168483958 779282088 /nfs/dbraw/zinc/28/20/88/779282088.db2.gz DBKRDYNRALFODN-IMJJTQAJSA-N 2 0 276.399 2.640 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000699525776 779288906 /nfs/dbraw/zinc/28/89/06/779288906.db2.gz MWOAYMNWGXYRDA-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)Oc1cncc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC001238464492 779324449 /nfs/dbraw/zinc/32/44/49/779324449.db2.gz CZPSEUDUIMNSBX-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)C1(C)C ZINC001235338010 779345224 /nfs/dbraw/zinc/34/52/24/779345224.db2.gz NNKOPCZBCQSTIJ-ZBFHGGJFSA-N 2 0 262.441 2.910 20 0 CFADRP COc1cc(C)c(C)cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001238770889 779387928 /nfs/dbraw/zinc/38/79/28/779387928.db2.gz RMCCOVQXSNUMPU-UHFFFAOYSA-N 2 0 288.435 2.840 20 0 CFADRP C[C@H]([NH3+])c1ccccc1-c1ccnc(N2CC[NH+](C)CC2)c1 ZINC001238823810 779399831 /nfs/dbraw/zinc/39/98/31/779399831.db2.gz WAEXBVAOUQMJHZ-AWEZNQCLSA-N 2 0 296.418 2.520 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001235981963 779419648 /nfs/dbraw/zinc/41/96/48/779419648.db2.gz ZFVWHRUTEARFHV-WBVHZDCISA-N 2 0 258.409 2.777 20 0 CFADRP C[N@@H+]1CC[C@H](c2ccc(C3=CCC[NH2+]CC3)cc2)C1 ZINC001238950740 779424760 /nfs/dbraw/zinc/42/47/60/779424760.db2.gz PYPSVQCXRXEMHS-KRWDZBQOSA-N 2 0 256.393 2.873 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001236072259 779458020 /nfs/dbraw/zinc/45/80/20/779458020.db2.gz QCCQYXHKGDDFOH-ZDUSSCGKSA-N 2 0 262.372 2.525 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3cnoc3)c2)CC1 ZINC001239187832 779466751 /nfs/dbraw/zinc/46/67/51/779466751.db2.gz AMZCHBZNPKDNES-UHFFFAOYSA-N 2 0 271.364 2.512 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC001239206301 779470996 /nfs/dbraw/zinc/47/09/96/779470996.db2.gz BIOKLYNEBDDQDJ-UHFFFAOYSA-N 2 0 298.434 2.538 20 0 CFADRP CC[N@@H+](Cc1ccccc1C1CC1)C[C@@H]1CC[NH2+]C1 ZINC001236409826 779557506 /nfs/dbraw/zinc/55/75/06/779557506.db2.gz XHIAIAISLBNHKJ-CQSZACIVSA-N 2 0 258.409 2.995 20 0 CFADRP CN(C[C@H]1CCCC[NH2+]1)C1CC[NH+](C2CCCCC2)CC1 ZINC001236846636 779646940 /nfs/dbraw/zinc/64/69/40/779646940.db2.gz GCTFABGBOHDJSX-MRXNPFEDSA-N 2 0 293.499 2.857 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH+](C)C)nc1 ZINC001239682508 779707729 /nfs/dbraw/zinc/70/77/29/779707729.db2.gz MILBKVPWMFYBKZ-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP [NH3+]Cc1cncc(-c2cccc(C3([NH3+])CCC3)c2)c1 ZINC001239806952 779789179 /nfs/dbraw/zinc/78/91/79/779789179.db2.gz LJMDGEAVDHJBKZ-UHFFFAOYSA-N 2 0 253.349 2.545 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc(C[NH+]3CCCCC3)cn2)c1 ZINC001239808521 779790338 /nfs/dbraw/zinc/79/03/38/779790338.db2.gz CCCVHPCNNBCWRG-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP COc1ncccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001239859424 779827941 /nfs/dbraw/zinc/82/79/41/779827941.db2.gz QGOIWOJERGEZTP-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP [NH3+]Cc1ccnc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240044480 779925696 /nfs/dbraw/zinc/92/56/96/779925696.db2.gz DZRBUASMKQJTPB-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP Cc1n[nH]c(C)c1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001240128959 779953558 /nfs/dbraw/zinc/95/35/58/779953558.db2.gz VEKQDGKDLVMDJD-UHFFFAOYSA-N 2 0 298.434 2.864 20 0 CFADRP c1cc2c(cc[nH+]c2-c2cccc(CN3CC[NH2+]CC3)c2)[nH]1 ZINC001240226639 780013984 /nfs/dbraw/zinc/01/39/84/780013984.db2.gz RMOKRPNKQXWROY-UHFFFAOYSA-N 2 0 292.386 2.635 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2cncc(F)c2)CC1 ZINC001240236352 780019550 /nfs/dbraw/zinc/01/95/50/780019550.db2.gz GPVKGUVTIIMWAC-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP [NH3+]Cc1cccc(-c2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001240265964 780038241 /nfs/dbraw/zinc/03/82/41/780038241.db2.gz OIFLRAOLOIMBJS-UHFFFAOYSA-N 2 0 296.414 2.687 20 0 CFADRP c1cc2c(cc1-c1cncc(C[NH+]3CCCC3)c1)CC[NH2+]C2 ZINC001240457764 780179857 /nfs/dbraw/zinc/17/98/57/780179857.db2.gz AORIRPVSVKWYMB-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC(C[NH3+])CC2)c1Cl ZINC001205033408 780197797 /nfs/dbraw/zinc/19/77/97/780197797.db2.gz GQEFPHPRHSHRIR-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CC[NH+](CC)Cc1cc(OC)ccc1C1=CCC[NH2+]C1 ZINC001240671811 780345138 /nfs/dbraw/zinc/34/51/38/780345138.db2.gz ZVCICCZCZGLPRY-UHFFFAOYSA-N 2 0 274.408 2.914 20 0 CFADRP CC1([NH3+])CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168703232 780426688 /nfs/dbraw/zinc/42/66/88/780426688.db2.gz BTXCHDSNXBTBTI-GFCCVEGCSA-N 2 0 264.800 2.620 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000453262328 780429336 /nfs/dbraw/zinc/42/93/36/780429336.db2.gz XVHSFJXZRVFVOZ-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP CN(C)Cc1c(F)cc(C=C2CC[NH2+]CC2)cc1F ZINC001240879107 780497515 /nfs/dbraw/zinc/49/75/15/780497515.db2.gz JXJFGJNMPQYDIN-UHFFFAOYSA-N 2 0 266.335 2.793 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C2CC(OC(C)(C)C)C2)C1 ZINC000360895837 780592676 /nfs/dbraw/zinc/59/26/76/780592676.db2.gz AVWLJBMDFSRUDC-KLAILNCOSA-N 2 0 294.483 2.996 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ncccc3F)cc2)CC1 ZINC001241540235 780963840 /nfs/dbraw/zinc/96/38/40/780963840.db2.gz JXQLLTZUIHGGQI-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP c1nn(C2C[NH2+]C2)cc1-c1ccccc1C[NH+]1CCCCC1 ZINC001241602249 781010340 /nfs/dbraw/zinc/01/03/40/781010340.db2.gz CIOHURYRAPFXHS-UHFFFAOYSA-N 2 0 296.418 2.680 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1CN(Cc1ccccc1C(F)(F)F)C2 ZINC000703547101 781028371 /nfs/dbraw/zinc/02/83/71/781028371.db2.gz HUAMYGSYYOLLIY-GXTWGEPZSA-N 2 0 284.325 2.747 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C)(O)CC1 ZINC000703560188 781036421 /nfs/dbraw/zinc/03/64/21/781036421.db2.gz GVODUCKYQWIJJE-CIDNJEQPSA-N 2 0 268.445 2.580 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000703865436 781070544 /nfs/dbraw/zinc/07/05/44/781070544.db2.gz BZAKLNCJPVBHQV-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000703885044 781075019 /nfs/dbraw/zinc/07/50/19/781075019.db2.gz BMQJZBCBRRDZBN-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP Clc1ccc(C[NH2+]CCCCn2ccnc2)nc1 ZINC000703928656 781081283 /nfs/dbraw/zinc/08/12/83/781081283.db2.gz WLFLSDSNNADWRU-UHFFFAOYSA-N 2 0 264.760 2.502 20 0 CFADRP [NH3+]C1(c2cccc(-c3cnn(C4CC[NH2+]CC4)c3)c2)CCC1 ZINC001241776921 781124032 /nfs/dbraw/zinc/12/40/32/781124032.db2.gz GXXOGQAWMRFCGM-UHFFFAOYSA-N 2 0 296.418 2.813 20 0 CFADRP Cc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000705184469 781136263 /nfs/dbraw/zinc/13/62/63/781136263.db2.gz RFZXJOKYRZPHKC-ZDUSSCGKSA-N 2 0 281.831 2.817 20 0 CFADRP Cc1cc(CNC[C@H]2CCCC[N@@H+](C)C2)cc(Cl)n1 ZINC000706065262 781156620 /nfs/dbraw/zinc/15/66/20/781156620.db2.gz CTEVZYBIRRQAKT-CYBMUJFWSA-N 2 0 281.831 2.865 20 0 CFADRP C[N@H+](Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1)C1CC1 ZINC001242022085 781236936 /nfs/dbraw/zinc/23/69/36/781236936.db2.gz LZGYWRTWZRPECR-CABCVRRESA-N 2 0 269.392 2.584 20 0 CFADRP CNc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cn1 ZINC001242070971 781263757 /nfs/dbraw/zinc/26/37/57/781263757.db2.gz IEFAMODCBMVXSU-UHFFFAOYSA-N 2 0 296.418 2.713 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2C2=CCOCC2)CC1 ZINC001242076836 781267246 /nfs/dbraw/zinc/26/72/46/781267246.db2.gz FZOLKPHUBQFING-UHFFFAOYSA-N 2 0 286.419 2.661 20 0 CFADRP CC1(C)CO[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000708357854 781270671 /nfs/dbraw/zinc/27/06/71/781270671.db2.gz BKMKNLAOMUIFOK-CVEARBPZSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)CO[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000708357855 781271097 /nfs/dbraw/zinc/27/10/97/781271097.db2.gz BKMKNLAOMUIFOK-HOTGVXAUSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000708362847 781272121 /nfs/dbraw/zinc/27/21/21/781272121.db2.gz VBPORLYEMGINCV-HOTGVXAUSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cccc3c2C[NH2+]C3)cc1 ZINC001242150390 781301710 /nfs/dbraw/zinc/30/17/10/781301710.db2.gz GTGDRHKRDVJABM-UHFFFAOYSA-N 2 0 282.387 2.897 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709703496 781302420 /nfs/dbraw/zinc/30/24/20/781302420.db2.gz UVRMHUQCNNUBTL-UONOGXRCSA-N 2 0 270.461 2.885 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709731569 781304198 /nfs/dbraw/zinc/30/41/98/781304198.db2.gz CSEWOUNNYLVYIS-BFHYXJOUSA-N 2 0 268.445 2.639 20 0 CFADRP CCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709801788 781318304 /nfs/dbraw/zinc/31/83/04/781318304.db2.gz XNXRSZSZDGURDU-GHMZBOCLSA-N 2 0 252.324 2.636 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000709829269 781319459 /nfs/dbraw/zinc/31/94/59/781319459.db2.gz ZBLYLFBPCBVBRD-ZIAGYGMSSA-N 2 0 286.341 2.872 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710004373 781325925 /nfs/dbraw/zinc/32/59/25/781325925.db2.gz AQBUXFBNCIDWSC-KBPBESRZSA-N 2 0 266.433 2.581 20 0 CFADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCC2(CCCC2)O1 ZINC000710821054 781340849 /nfs/dbraw/zinc/34/08/49/781340849.db2.gz YAWNZAOXVGCYIW-OAHLLOKOSA-N 2 0 268.445 2.929 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710909587 781344368 /nfs/dbraw/zinc/34/43/68/781344368.db2.gz ZISJEMNBCXHPSY-RYUDHWBXSA-N 2 0 264.438 2.872 20 0 CFADRP COC(=O)C1(C)CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001168762323 781415592 /nfs/dbraw/zinc/41/55/92/781415592.db2.gz RGTDGQVKGADCFN-DGNOSDGRSA-N 2 0 296.455 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000711413692 781429575 /nfs/dbraw/zinc/42/95/75/781429575.db2.gz WDTIRCHHILRZQI-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP FC[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000711444101 781435267 /nfs/dbraw/zinc/43/52/67/781435267.db2.gz QXNLZZCZVICTOR-CYBMUJFWSA-N 2 0 262.372 2.514 20 0 CFADRP [NH3+]C1(c2ccccc2-c2ccc3c(c2)C[NH2+]C3)CC1 ZINC001242676792 781692424 /nfs/dbraw/zinc/69/24/24/781692424.db2.gz UMVZXPSEPCGYBG-UHFFFAOYSA-N 2 0 250.345 2.905 20 0 CFADRP C[NH2+]Cc1cccc(Nc2cc(C[NH+](C)C)ccn2)c1 ZINC001165141227 781740030 /nfs/dbraw/zinc/74/00/30/781740030.db2.gz PWYHBEZAZOFAEH-UHFFFAOYSA-N 2 0 270.380 2.606 20 0 CFADRP c1cc(OC2CC2)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001242805281 781769666 /nfs/dbraw/zinc/76/96/66/781769666.db2.gz XGXLLCSMJUXLNH-UHFFFAOYSA-N 2 0 295.386 2.699 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CC3(Cl)Cl)C[C@H]2C1 ZINC001119988087 781884093 /nfs/dbraw/zinc/88/40/93/781884093.db2.gz FLFZJQKOXYZWFM-FDYHWXHSSA-N 2 0 291.266 2.842 20 0 CFADRP C[NH2+]Cc1ccc(-c2cc(C[N@H+](C)CCOC)ccn2)cc1 ZINC001242991892 781905769 /nfs/dbraw/zinc/90/57/69/781905769.db2.gz LQXHPZLYXMFLOF-UHFFFAOYSA-N 2 0 299.418 2.546 20 0 CFADRP C[NH2+]Cc1cccc(-c2cc([C@H]3CCC[NH2+]C3)nc(C)n2)c1 ZINC001242994136 781908151 /nfs/dbraw/zinc/90/81/51/781908151.db2.gz BMLDKQHCHKBWDM-INIZCTEOSA-N 2 0 296.418 2.638 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001242997413 781912237 /nfs/dbraw/zinc/91/22/37/781912237.db2.gz RQKSWAREDFEUEZ-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000594625233 349466068 /nfs/dbraw/zinc/46/60/68/349466068.db2.gz SWYSXJRVFGUAIV-XHSDSOJGSA-N 2 0 296.455 2.569 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CC(C)(c2ccc(F)cc2)C1 ZINC000372960972 282087472 /nfs/dbraw/zinc/08/74/72/282087472.db2.gz HHEDTGWUDOSGFZ-UHFFFAOYSA-N 2 0 264.388 2.787 20 0 CFADRP Clc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000082572430 178110340 /nfs/dbraw/zinc/11/03/40/178110340.db2.gz OEOWNXKJKORAQA-UHFFFAOYSA-N 2 0 264.800 2.916 20 0 CFADRP CSC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000594938529 349519229 /nfs/dbraw/zinc/51/92/29/349519229.db2.gz MAOHRJZHXOZBTR-UHFFFAOYSA-N 2 0 288.420 2.643 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000127789549 187333165 /nfs/dbraw/zinc/33/31/65/187333165.db2.gz HUDKDYOCQWTXCT-SWLSCSKDSA-N 2 0 250.361 2.613 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273073180 192037530 /nfs/dbraw/zinc/03/75/30/192037530.db2.gz NQTSSEIGWWDRTR-CABCVRRESA-N 2 0 276.424 2.996 20 0 CFADRP CCSC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594992739 349541062 /nfs/dbraw/zinc/54/10/62/349541062.db2.gz WNYDBKNLVGPMQN-UHFFFAOYSA-N 2 0 288.420 2.643 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCCSCC2)CC[NH+](C)CC1 ZINC000595046825 349563122 /nfs/dbraw/zinc/56/31/22/349563122.db2.gz BLZADTOMNDGFOK-CYBMUJFWSA-N 2 0 288.526 2.689 20 0 CFADRP CSCC1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000595074981 349575141 /nfs/dbraw/zinc/57/51/41/349575141.db2.gz VQSNEYHASWEAJI-UHFFFAOYSA-N 2 0 282.497 2.984 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000595096092 349580549 /nfs/dbraw/zinc/58/05/49/349580549.db2.gz ZWAHDBMGHCLMAD-MJBXVCDLSA-N 2 0 268.470 2.735 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1C ZINC000595554130 349658217 /nfs/dbraw/zinc/65/82/17/349658217.db2.gz FOLDGLJUNRKLSE-XUWVNRHRSA-N 2 0 296.455 2.523 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(C)c1 ZINC000422917862 529494669 /nfs/dbraw/zinc/49/46/69/529494669.db2.gz FVKLTRSPOPYZLU-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000070188129 346907863 /nfs/dbraw/zinc/90/78/63/346907863.db2.gz SLOJOZCQPXXMQG-UHFFFAOYSA-N 2 0 275.421 2.857 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000070360473 346909975 /nfs/dbraw/zinc/90/99/75/346909975.db2.gz UIJYKMRFFMWNIJ-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1 ZINC000423303602 529594518 /nfs/dbraw/zinc/59/45/18/529594518.db2.gz MATMOUVCECWOBG-ZDUSSCGKSA-N 2 0 283.213 2.709 20 0 CFADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(Br)c1 ZINC000423303855 529594541 /nfs/dbraw/zinc/59/45/41/529594541.db2.gz MRJINBVIWNPICZ-ZDUSSCGKSA-N 2 0 283.213 2.709 20 0 CFADRP CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422745372 529585998 /nfs/dbraw/zinc/58/59/98/529585998.db2.gz XOELTLNRGCZBBQ-ROUUACIJSA-N 2 0 287.451 2.776 20 0 CFADRP CC[C@H]([NH2+]CCc1cccc2[nH]ccc21)[C@@H]1CCC[NH2+]1 ZINC000423116478 529607652 /nfs/dbraw/zinc/60/76/52/529607652.db2.gz PYTZUUGGODVGFA-RDJZCZTQSA-N 2 0 271.408 2.831 20 0 CFADRP CC[C@H]([NH2+]CCCCc1nc(C)cs1)[C@@H]1CCC[NH2+]1 ZINC000422903607 529597274 /nfs/dbraw/zinc/59/72/74/529597274.db2.gz FUWUXZNKZNRRJQ-KBPBESRZSA-N 2 0 281.469 2.894 20 0 CFADRP CC[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744679 529622464 /nfs/dbraw/zinc/62/24/64/529622464.db2.gz WLQLXDASSYPBKN-QZWWFDLISA-N 2 0 281.488 2.617 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422836370 529615775 /nfs/dbraw/zinc/61/57/75/529615775.db2.gz JVPJLLUKFBTPRD-ZDUSSCGKSA-N 2 0 260.425 2.724 20 0 CFADRP CC[C@H](NC[C@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422790028 529619681 /nfs/dbraw/zinc/61/96/81/529619681.db2.gz UNTLRPDCSFVCDH-OKZBNKHCSA-N 2 0 289.467 2.718 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422937370 529650570 /nfs/dbraw/zinc/65/05/70/529650570.db2.gz GEVXGJXVMPDYRX-DYEKYZERSA-N 2 0 278.396 2.624 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423493278 529660244 /nfs/dbraw/zinc/66/02/44/529660244.db2.gz PVYGMVMYMNFUCS-YUELXQCFSA-N 2 0 290.407 2.626 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)c1ccccc1 ZINC000422785961 529663974 /nfs/dbraw/zinc/66/39/74/529663974.db2.gz PWHURNABEWJDQA-CJNGLKHVSA-N 2 0 260.425 2.940 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1OC ZINC000423490325 529672303 /nfs/dbraw/zinc/67/23/03/529672303.db2.gz HTYNCDBXRQZQLZ-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000126296855 187230355 /nfs/dbraw/zinc/23/03/55/187230355.db2.gz NDKDDAHLUQDGRF-UHFFFAOYSA-N 2 0 288.435 2.965 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2=CCCOC2)c1 ZINC000126578132 187249872 /nfs/dbraw/zinc/24/98/72/187249872.db2.gz RTKHVJISUBODJD-UHFFFAOYSA-N 2 0 288.435 2.965 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000423042349 282247366 /nfs/dbraw/zinc/24/73/66/282247366.db2.gz KSSXNYHNBUWVCI-FPCVCCKLSA-N 2 0 268.445 2.687 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)o1 ZINC000423260981 529706697 /nfs/dbraw/zinc/70/66/97/529706697.db2.gz RBSGLCJFRQTCEL-CHWSQXEVSA-N 2 0 250.386 2.882 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])OC ZINC000422991487 282273511 /nfs/dbraw/zinc/27/35/11/282273511.db2.gz BGBMPKOJEPKKMN-KFWWJZLASA-N 2 0 256.434 2.545 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)s1 ZINC000423538551 529729102 /nfs/dbraw/zinc/72/91/02/529729102.db2.gz NASATMGKFGWEAJ-LLVKDONJSA-N 2 0 279.453 2.974 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127953510 187343089 /nfs/dbraw/zinc/34/30/89/187343089.db2.gz NAABIKXJEINIDK-DLBZAZTESA-N 2 0 274.408 2.549 20 0 CFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000423200565 529806752 /nfs/dbraw/zinc/80/67/52/529806752.db2.gz MOMMQMTZNUDUKY-PMPSAXMXSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000220601576 539365836 /nfs/dbraw/zinc/36/58/36/539365836.db2.gz LWNFEDKNKQSEDA-AAEUAGOBSA-N 2 0 256.459 2.733 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000423287881 282307885 /nfs/dbraw/zinc/30/78/85/282307885.db2.gz PABLKBTVSZAJAY-STQMWFEESA-N 2 0 256.434 2.687 20 0 CFADRP Cc1ncsc1CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000074353304 347010907 /nfs/dbraw/zinc/01/09/07/347010907.db2.gz NFISUXRWXSXUFD-UHFFFAOYSA-N 2 0 281.469 2.799 20 0 CFADRP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000074773360 347032152 /nfs/dbraw/zinc/03/21/52/347032152.db2.gz AVJINMUEXJOORR-UHFFFAOYSA-N 2 0 299.418 2.782 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000423198150 529971468 /nfs/dbraw/zinc/97/14/68/529971468.db2.gz DKBFRAZIGYQRNV-CQSZACIVSA-N 2 0 256.340 2.861 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414858230 529971578 /nfs/dbraw/zinc/97/15/78/529971578.db2.gz IFNHIUNBZMTHEG-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423276376 529985605 /nfs/dbraw/zinc/98/56/05/529985605.db2.gz OHSWPXRWHZQKHS-NEPJUHHUSA-N 2 0 270.367 2.731 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423274001 529985621 /nfs/dbraw/zinc/98/56/21/529985621.db2.gz LOEOJCAWJQBVPD-MNOVXSKESA-N 2 0 252.427 2.743 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1F ZINC000414832133 529985634 /nfs/dbraw/zinc/98/56/34/529985634.db2.gz DUDZJDJXRWGTMH-OLZOCXBDSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414849745 529985797 /nfs/dbraw/zinc/98/57/97/529985797.db2.gz YMPFTZHAHDBOKX-OLZOCXBDSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423266108 529985908 /nfs/dbraw/zinc/98/59/08/529985908.db2.gz CUAMSLUKRTUDFT-CXAGYDPISA-N 2 0 288.435 2.834 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1SC ZINC000414844471 529986035 /nfs/dbraw/zinc/98/60/35/529986035.db2.gz RLQFPDZOERZWIO-CHWSQXEVSA-N 2 0 266.454 2.785 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423276686 529999022 /nfs/dbraw/zinc/99/90/22/529999022.db2.gz OSRGHOBFPVZAJK-STQMWFEESA-N 2 0 260.381 2.809 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423285672 529999457 /nfs/dbraw/zinc/99/94/57/529999457.db2.gz ZTOHDCOENHGANX-NWDGAFQWSA-N 2 0 270.367 2.731 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423285589 529999663 /nfs/dbraw/zinc/99/96/63/529999663.db2.gz ZPVBZNZFAGEMGK-WDEREUQCSA-N 2 0 285.229 2.955 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000414175154 530060786 /nfs/dbraw/zinc/06/07/86/530060786.db2.gz GZESDXKKMWZUOC-CXAGYDPISA-N 2 0 291.414 2.993 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034444 539428107 /nfs/dbraw/zinc/42/81/07/539428107.db2.gz CUHSKDGPAAXFAK-LSDHHAIUSA-N 2 0 292.423 2.523 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127364017 187300121 /nfs/dbraw/zinc/30/01/21/187300121.db2.gz DJVZFYMFQKVYCA-HZPDHXFCSA-N 2 0 289.467 2.536 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127364700 187300784 /nfs/dbraw/zinc/30/07/84/187300784.db2.gz DJVZFYMFQKVYCA-HOTGVXAUSA-N 2 0 289.467 2.536 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000563135963 290107675 /nfs/dbraw/zinc/10/76/75/290107675.db2.gz PSOMYSFSVZZWJS-VHSXEESVSA-N 2 0 255.431 2.656 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000111361845 232191724 /nfs/dbraw/zinc/19/17/24/232191724.db2.gz SQYIAJIWOBRADV-SNVBAGLBSA-N 2 0 255.431 2.752 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Cc1cccs1 ZINC000167447559 232260187 /nfs/dbraw/zinc/26/01/87/232260187.db2.gz YNOGIFJCEAADCF-MJBXVCDLSA-N 2 0 266.454 2.999 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130138300 539498548 /nfs/dbraw/zinc/49/85/48/539498548.db2.gz KHRGGOOREVAZRH-VHDGCEQUSA-N 2 0 264.438 2.896 20 0 CFADRP c1cc(C[NH+](CC2CC2)CC2CC2)c2c(c1)C[NH2+]CC2 ZINC000123985236 539514061 /nfs/dbraw/zinc/51/40/61/539514061.db2.gz OSZNCLWXRCOJQM-UHFFFAOYSA-N 2 0 270.420 2.954 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000668474618 539518844 /nfs/dbraw/zinc/51/88/44/539518844.db2.gz DEVQFTCLCLHXKH-IRXDYDNUSA-N 2 0 291.483 2.652 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000178650793 232384847 /nfs/dbraw/zinc/38/48/47/232384847.db2.gz KDNOADQSJUSLEA-SKDRFNHKSA-N 2 0 253.415 2.505 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000537958362 539538645 /nfs/dbraw/zinc/53/86/45/539538645.db2.gz RSCNRXPVMLVUIW-UKRRQHHQSA-N 2 0 262.397 2.576 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535433 346395044 /nfs/dbraw/zinc/39/50/44/346395044.db2.gz BYHKAXWSWDNROF-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP CSCC1(CC[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000596650629 349968272 /nfs/dbraw/zinc/96/82/72/349968272.db2.gz MCKAVKJGCQUVOR-UHFFFAOYSA-N 2 0 256.459 2.627 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512297 539545987 /nfs/dbraw/zinc/54/59/87/539545987.db2.gz LMFWIWGDRRTXNP-PBHICJAKSA-N 2 0 273.424 2.539 20 0 CFADRP C1=C[C@@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000066497136 346765194 /nfs/dbraw/zinc/76/51/94/346765194.db2.gz ZUNYWJPEMFUHSR-QGZVFWFLSA-N 2 0 278.440 2.529 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000067249508 346796168 /nfs/dbraw/zinc/79/61/68/346796168.db2.gz GPBMQNQBMQMCMU-UHFFFAOYSA-N 2 0 264.413 2.763 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000085823924 179184125 /nfs/dbraw/zinc/18/41/25/179184125.db2.gz OCSXGUYHXFSYLT-QGZVFWFLSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000400944673 232678190 /nfs/dbraw/zinc/67/81/90/232678190.db2.gz AIYACOQSJQOPOE-ADSMDIBLSA-N 2 0 262.372 2.864 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC)CC2)C1(C)C ZINC000085398033 347479665 /nfs/dbraw/zinc/47/96/65/347479665.db2.gz NZFLDHUXHGVMQQ-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000089721929 347526960 /nfs/dbraw/zinc/52/69/60/347526960.db2.gz NOMHEQAYPRRXAZ-BZUAXINKSA-N 2 0 274.408 2.670 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000089735959 347527704 /nfs/dbraw/zinc/52/77/04/347527704.db2.gz SJJIHCDMTWNUTO-IAGOWNOFSA-N 2 0 258.409 2.754 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090456889 347549721 /nfs/dbraw/zinc/54/97/21/347549721.db2.gz UMKDRYKBKROLHB-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCC1 ZINC000090525676 347551604 /nfs/dbraw/zinc/55/16/04/347551604.db2.gz AUPFOEIBVAINEY-JQFCIGGWSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000092797077 347647809 /nfs/dbraw/zinc/64/78/09/347647809.db2.gz JKTZRBOFJAQDPH-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000093079509 347660886 /nfs/dbraw/zinc/66/08/86/347660886.db2.gz OQFQHIPHDQROMB-OAHLLOKOSA-N 2 0 290.451 2.779 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000093079511 347660918 /nfs/dbraw/zinc/66/09/18/347660918.db2.gz OQFQHIPHDQROMB-HNNXBMFYSA-N 2 0 290.451 2.779 20 0 CFADRP CCCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093873121 347687294 /nfs/dbraw/zinc/68/72/94/347687294.db2.gz BUAKXFQSBAIJAA-UHFFFAOYSA-N 2 0 264.413 2.892 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519517 347695364 /nfs/dbraw/zinc/69/53/64/347695364.db2.gz RABRSTZZTWPNMT-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000094951039 347697536 /nfs/dbraw/zinc/69/75/36/347697536.db2.gz DRXMZJZJFGEWGO-HUUCEWRRSA-N 2 0 250.361 2.536 20 0 CFADRP CC(C)(C)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107572945 347736344 /nfs/dbraw/zinc/73/63/44/347736344.db2.gz AWRCOFDCVVKNER-HUUCEWRRSA-N 2 0 258.409 2.635 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000124625548 347824755 /nfs/dbraw/zinc/82/47/55/347824755.db2.gz OEJPSQYPRMFIJU-DGCLKSJQSA-N 2 0 268.788 2.530 20 0 CFADRP Clc1ccc(OCCCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128265612 347849811 /nfs/dbraw/zinc/84/98/11/347849811.db2.gz JJADDQGMZTTZHM-CABCVRRESA-N 2 0 294.826 2.935 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000129037792 347857076 /nfs/dbraw/zinc/85/70/76/347857076.db2.gz FWELIOSIYHRITR-JKSUJKDBSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000129161248 347858646 /nfs/dbraw/zinc/85/86/46/347858646.db2.gz ZFJOLCDIUFZSOS-HOTGVXAUSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000131511199 347878673 /nfs/dbraw/zinc/87/86/73/347878673.db2.gz CNRMBKSRPIBUFZ-SWLSCSKDSA-N 2 0 255.365 2.546 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000131498177 347878834 /nfs/dbraw/zinc/87/88/34/347878834.db2.gz FGVDMZTWNDKVAP-DZGCQCFKSA-N 2 0 262.397 2.787 20 0 CFADRP COc1ccc(C[N@H+](C)CCC[NH3+])c2ccccc12 ZINC000133723332 347893507 /nfs/dbraw/zinc/89/35/07/347893507.db2.gz HNKINHZRNYTAFX-UHFFFAOYSA-N 2 0 258.365 2.629 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000134173894 347896313 /nfs/dbraw/zinc/89/63/13/347896313.db2.gz OOZSGOFEERPFKU-HRCADAONSA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000156546122 347995125 /nfs/dbraw/zinc/99/51/25/347995125.db2.gz GIQCLXVLWJXOFC-GOSISDBHSA-N 2 0 293.499 2.857 20 0 CFADRP CSCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154734573 347982151 /nfs/dbraw/zinc/98/21/51/347982151.db2.gz MPDZFYZCKVWZAT-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]CC(C)(C)C)C[C@H](C)O1 ZINC000237622722 290844021 /nfs/dbraw/zinc/84/40/21/290844021.db2.gz CZAWWXUOOWJEKV-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CCc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000225374756 348176738 /nfs/dbraw/zinc/17/67/38/348176738.db2.gz XZCVWSATUHPYLW-GFCCVEGCSA-N 2 0 252.427 2.790 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000226434866 348183947 /nfs/dbraw/zinc/18/39/47/348183947.db2.gz HXIKGNMGLGNVOU-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2[nH]1 ZINC000229664127 348202552 /nfs/dbraw/zinc/20/25/52/348202552.db2.gz NARLILRKDANHGX-JKSUJKDBSA-N 2 0 269.392 2.884 20 0 CFADRP CSCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309687211 348407039 /nfs/dbraw/zinc/40/70/39/348407039.db2.gz BEIKHKLCXZZCCY-HOCLYGCPSA-N 2 0 278.465 2.850 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000310059488 348408933 /nfs/dbraw/zinc/40/89/33/348408933.db2.gz JHZAKWCASJXHFG-CYBMUJFWSA-N 2 0 252.427 2.788 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000311095084 348411623 /nfs/dbraw/zinc/41/16/23/348411623.db2.gz QRWISEZMSSCCSM-LBPRGKRZSA-N 2 0 253.390 2.583 20 0 CFADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000312574989 348419278 /nfs/dbraw/zinc/41/92/78/348419278.db2.gz ZRNHKWBHOXWGPU-RHSMWYFYSA-N 2 0 276.424 2.892 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cnc(C)s2)CC[NH+](C)CC1 ZINC000589349613 348828260 /nfs/dbraw/zinc/82/82/60/348828260.db2.gz OSTRPNNSBXMBDB-LLVKDONJSA-N 2 0 299.509 2.930 20 0 CFADRP Fc1cccc(CN2CCC[C@H](n3ccnc3)C2)c1F ZINC000591082304 348985213 /nfs/dbraw/zinc/98/52/13/348985213.db2.gz DVPPFDCFMDKTIF-ZDUSSCGKSA-N 2 0 277.318 2.998 20 0 CFADRP CC(C)OCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590818965 348954720 /nfs/dbraw/zinc/95/47/20/348954720.db2.gz NEGVRLZMLXJYEX-UHFFFAOYSA-N 2 0 270.461 2.854 20 0 CFADRP c1ccc(CSCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000591278473 349006001 /nfs/dbraw/zinc/00/60/01/349006001.db2.gz FPDVYXTZHSNCLV-HNNXBMFYSA-N 2 0 264.438 2.652 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)ccc12 ZINC000414177152 233188086 /nfs/dbraw/zinc/18/80/86/233188086.db2.gz IALGQCGXXFCIBZ-BBWFWOEESA-N 2 0 297.402 2.772 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CSCC1CC[NH2+]CC1 ZINC000592175277 349095342 /nfs/dbraw/zinc/09/53/42/349095342.db2.gz JBPSDQATNWOILL-OAHLLOKOSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000414180327 233189038 /nfs/dbraw/zinc/18/90/38/233189038.db2.gz LWKOKBKICVXBOQ-KBPBESRZSA-N 2 0 250.386 2.971 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000414198311 233193902 /nfs/dbraw/zinc/19/39/02/233193902.db2.gz YIZYMDWHWYBKTK-ZDUSSCGKSA-N 2 0 266.348 2.889 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccncc1F ZINC000414201373 233194993 /nfs/dbraw/zinc/19/49/93/233194993.db2.gz YCTCKKKNVKMVTM-CHWSQXEVSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000127857477 539729571 /nfs/dbraw/zinc/72/95/71/539729571.db2.gz BDRCPFGPUNFLRU-CJNGLKHVSA-N 2 0 261.413 2.643 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Oc1ccc(F)cc1 ZINC000128147305 539734098 /nfs/dbraw/zinc/73/40/98/539734098.db2.gz DKGRBFXGHVHJAO-ZIAGYGMSSA-N 2 0 294.414 2.913 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000593728596 349315609 /nfs/dbraw/zinc/31/56/09/349315609.db2.gz YZAITWBKRVPZCK-HUUCEWRRSA-N 2 0 294.464 2.565 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668739901 539743658 /nfs/dbraw/zinc/74/36/58/539743658.db2.gz PQGHUTZVTAHPNH-ZVZYQTTQSA-N 2 0 292.467 2.510 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cnc(C)n2C)C1 ZINC000597026487 350018049 /nfs/dbraw/zinc/01/80/49/350018049.db2.gz IVEVYVHNMAAJGQ-TZMCWYRMSA-N 2 0 267.442 2.835 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000597209136 350056645 /nfs/dbraw/zinc/05/66/45/350056645.db2.gz PIQFBTCWMMLNED-NWANDNLSSA-N 2 0 268.470 2.877 20 0 CFADRP C[NH+](C)Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000414502412 233274577 /nfs/dbraw/zinc/27/45/77/233274577.db2.gz UKZPEVIPQVGUJK-GJZGRUSLSA-N 2 0 291.414 2.926 20 0 CFADRP C[C@@H]1SCC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000220585102 539753243 /nfs/dbraw/zinc/75/32/43/539753243.db2.gz ZCGIPNMTUBDWRY-GXTWGEPZSA-N 2 0 277.437 2.534 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000090721741 180032328 /nfs/dbraw/zinc/03/23/28/180032328.db2.gz BMNKZAMQZRDCKB-DGCLKSJQSA-N 2 0 284.350 2.860 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000090720359 180030246 /nfs/dbraw/zinc/03/02/46/180030246.db2.gz YQTAEJMJQQROSO-FZMZJTMJSA-N 2 0 252.789 2.912 20 0 CFADRP [NH3+]CCC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000414673755 233322588 /nfs/dbraw/zinc/32/25/88/233322588.db2.gz JRZDRATZOSRSRX-SFHVURJKSA-N 2 0 266.388 2.983 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC[NH+](C)C ZINC000091262518 180116459 /nfs/dbraw/zinc/11/64/59/180116459.db2.gz JADZCFYAHMRDPR-GFCCVEGCSA-N 2 0 254.805 2.812 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414684740 233325618 /nfs/dbraw/zinc/32/56/18/233325618.db2.gz WOCGCRNZEPHMRW-KGLIPLIRSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000414702597 233332674 /nfs/dbraw/zinc/33/26/74/233332674.db2.gz ICEPWKRPCXTMAR-WDEREUQCSA-N 2 0 286.341 2.924 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](COc3ccccc3)C2)CC[NH2+]1 ZINC000414719408 233337963 /nfs/dbraw/zinc/33/79/63/233337963.db2.gz YKHUNWGEULMGST-IKGGRYGDSA-N 2 0 288.435 2.775 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](COc3ccccc3)C2)CC[NH2+]1 ZINC000414719410 233338004 /nfs/dbraw/zinc/33/80/04/233338004.db2.gz YKHUNWGEULMGST-ZACQAIPSSA-N 2 0 288.435 2.775 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F ZINC000414738186 233340070 /nfs/dbraw/zinc/34/00/70/233340070.db2.gz ORVGPQFSQMNYJL-BETUJISGSA-N 2 0 284.325 2.665 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091539269 180183018 /nfs/dbraw/zinc/18/30/18/180183018.db2.gz WVCCWEKMCIXKHS-HUUCEWRRSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000414800427 233355611 /nfs/dbraw/zinc/35/56/11/233355611.db2.gz KTQGHRLBPVARAJ-STQMWFEESA-N 2 0 254.324 2.841 20 0 CFADRP Fc1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414782262 233349573 /nfs/dbraw/zinc/34/95/73/233349573.db2.gz OENBSEYILWWOAM-ZIAGYGMSSA-N 2 0 280.362 2.786 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000414788113 233350307 /nfs/dbraw/zinc/35/03/07/233350307.db2.gz WGTGQBPXUIZKSZ-DLBZAZTESA-N 2 0 288.435 2.825 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414790478 233352538 /nfs/dbraw/zinc/35/25/38/233352538.db2.gz GRMAQGLVIGJPSW-OCCSQVGLSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000414789994 233352650 /nfs/dbraw/zinc/35/26/50/233352650.db2.gz GGCBDXRGCCRDNH-BXKDBHETSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414794432 233352971 /nfs/dbraw/zinc/35/29/71/233352971.db2.gz FQIYFRVNRNESAU-BVWQNDCPSA-N 2 0 262.372 2.946 20 0 CFADRP c1cc(C[NH2+]C2CC[NH2+]CC2)cc(OC2CCCC2)c1 ZINC000414791919 233353581 /nfs/dbraw/zinc/35/35/81/233353581.db2.gz RKQGSGZYVDEVCT-UHFFFAOYSA-N 2 0 274.408 2.850 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000414805804 233358241 /nfs/dbraw/zinc/35/82/41/233358241.db2.gz PUMJIZCHZVGADI-DZGCQCFKSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000414811819 233362203 /nfs/dbraw/zinc/36/22/03/233362203.db2.gz WQOPTAYCCHQNAX-ZLDLUXBVSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000414819075 233364370 /nfs/dbraw/zinc/36/43/70/233364370.db2.gz XSSPOGGDRPZPEU-GFCCVEGCSA-N 2 0 297.393 2.525 20 0 CFADRP c1cc(-c2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)cs1 ZINC000414838563 233372549 /nfs/dbraw/zinc/37/25/49/233372549.db2.gz VLBIVUUWOVAOTD-LLVKDONJSA-N 2 0 293.461 2.961 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000105480798 186060155 /nfs/dbraw/zinc/06/01/55/186060155.db2.gz IHYKCYRWNDQQOC-ZFWWWQNUSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414839499 233373973 /nfs/dbraw/zinc/37/39/73/233373973.db2.gz WLDSYPHVLNLSPJ-RDJZCZTQSA-N 2 0 260.425 2.905 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414839379 233374267 /nfs/dbraw/zinc/37/42/67/233374267.db2.gz XJDXNELNZYZXOQ-KGLIPLIRSA-N 2 0 278.465 2.929 20 0 CFADRP c1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000414842805 233375058 /nfs/dbraw/zinc/37/50/58/233375058.db2.gz ZNKRLFXIFXEZMT-OAHLLOKOSA-N 2 0 281.403 2.838 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000414843502 233375273 /nfs/dbraw/zinc/37/52/73/233375273.db2.gz PZDLDYXPJZMYTF-QDOCKXBDSA-N 2 0 280.362 2.957 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000414845219 233375492 /nfs/dbraw/zinc/37/54/92/233375492.db2.gz LVROFZRJSGIVTN-ULQDDVLXSA-N 2 0 258.409 2.838 20 0 CFADRP c1ccc(OCCCCC[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414847678 233377170 /nfs/dbraw/zinc/37/71/70/233377170.db2.gz PDZWNOJKYFULQC-HNNXBMFYSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414872893 233386075 /nfs/dbraw/zinc/38/60/75/233386075.db2.gz GMRXXHPKDOPVAO-OIISXLGYSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882100 233388391 /nfs/dbraw/zinc/38/83/91/233388391.db2.gz BNMVKLRBESWZQC-IINYFYTJSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCC[NH2+]C1 ZINC000414897087 233391640 /nfs/dbraw/zinc/39/16/40/233391640.db2.gz DGOLTDVEUOQSAA-CQSZACIVSA-N 2 0 270.779 2.958 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)c(Cl)c1 ZINC000414906445 233395150 /nfs/dbraw/zinc/39/51/50/233395150.db2.gz PQCHQEGWZBPXLL-UHFFFAOYSA-N 2 0 282.815 2.828 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH3+] ZINC000414905414 233395438 /nfs/dbraw/zinc/39/54/38/233395438.db2.gz OIHVOMLJLCMXQY-LLVKDONJSA-N 2 0 274.330 2.965 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000414910946 233395582 /nfs/dbraw/zinc/39/55/82/233395582.db2.gz VZJWYYABIDUKII-LZLYRXPVSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414915263 233398359 /nfs/dbraw/zinc/39/83/59/233398359.db2.gz ZMVOQGUAOSAJBJ-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000414852622 233377948 /nfs/dbraw/zinc/37/79/48/233377948.db2.gz WDXKXICXMIBBFV-GVDBMIGSSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000414853083 233379330 /nfs/dbraw/zinc/37/93/30/233379330.db2.gz KRLANSQUVSXIQA-CHWSQXEVSA-N 2 0 258.365 2.911 20 0 CFADRP FC(F)Oc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414855977 233379408 /nfs/dbraw/zinc/37/94/08/233379408.db2.gz XWLPRDSHVPDZTM-LBPRGKRZSA-N 2 0 284.350 2.767 20 0 CFADRP COC1CCC([NH2+]CC2([NH3+])CCCCCC2)CC1 ZINC000414860922 233382026 /nfs/dbraw/zinc/38/20/26/233382026.db2.gz QSCKGGLVSYDZAH-UHFFFAOYSA-N 2 0 254.418 2.585 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920267 233399279 /nfs/dbraw/zinc/39/92/79/233399279.db2.gz YWBPDAITGDUAGQ-RDJZCZTQSA-N 2 0 260.425 2.905 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415005136 233433370 /nfs/dbraw/zinc/43/33/70/233433370.db2.gz YZMMLPSEVXLMHI-OLZOCXBDSA-N 2 0 284.350 2.895 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000227496899 282688445 /nfs/dbraw/zinc/68/84/45/282688445.db2.gz ISRSTMJTESXVNI-KFWWJZLASA-N 2 0 280.456 2.512 20 0 CFADRP Cc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1F ZINC000414978186 233423473 /nfs/dbraw/zinc/42/34/73/233423473.db2.gz SKMMLQCVXXJECE-CQSZACIVSA-N 2 0 250.361 2.756 20 0 CFADRP c1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000414980904 233423507 /nfs/dbraw/zinc/42/35/07/233423507.db2.gz XGKGCADHGPEMFM-OAHLLOKOSA-N 2 0 284.407 2.699 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043526 180310702 /nfs/dbraw/zinc/31/07/02/180310702.db2.gz HEZZDKNFXBHHET-RDJZCZTQSA-N 2 0 274.408 2.611 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415109347 233468175 /nfs/dbraw/zinc/46/81/75/233468175.db2.gz LQXBPOXPBWTAHJ-BFYDXBDKSA-N 2 0 275.440 2.771 20 0 CFADRP COCc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000092380938 180372216 /nfs/dbraw/zinc/37/22/16/180372216.db2.gz UOTIHNQGLVEQGP-UHFFFAOYSA-N 2 0 280.412 2.590 20 0 CFADRP CC(C)OC1CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000668784031 539802429 /nfs/dbraw/zinc/80/24/29/539802429.db2.gz ZJKAIFSHLQJBJZ-UHFFFAOYSA-N 2 0 280.456 2.654 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)s1 ZINC000108879753 186234639 /nfs/dbraw/zinc/23/46/39/186234639.db2.gz UVHZVDCPHLGUEF-FZMZJTMJSA-N 2 0 252.427 2.740 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCOC(C)(C)C)CC1 ZINC000109786545 186271756 /nfs/dbraw/zinc/27/17/56/186271756.db2.gz MFIFSLAATRLRIV-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP Cc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000668784919 539803917 /nfs/dbraw/zinc/80/39/17/539803917.db2.gz KPZUYJVPDRVWEZ-SFHVURJKSA-N 2 0 290.451 2.846 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3(C(C)C)CC3)C2)CC1 ZINC000602483469 350902168 /nfs/dbraw/zinc/90/21/68/350902168.db2.gz LQBVXIWLJVLUKD-KRWDZBQOSA-N 2 0 293.499 2.523 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000602734136 351006758 /nfs/dbraw/zinc/00/67/58/351006758.db2.gz OFDXIVCBFWNSLT-AWEZNQCLSA-N 2 0 298.471 2.818 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCCC(=O)OC(C)(C)C)C2)CC1 ZINC000602877681 351054897 /nfs/dbraw/zinc/05/48/97/351054897.db2.gz JUHVZQDPAXAGKU-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@H]([NH2+]C1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271425281 191130130 /nfs/dbraw/zinc/13/01/30/191130130.db2.gz CQYQVWFIEWNFSM-ZDUSSCGKSA-N 2 0 262.397 2.830 20 0 CFADRP Cn1cccc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000119211097 186810686 /nfs/dbraw/zinc/81/06/86/186810686.db2.gz WOPHVFKNLIEWTB-UHFFFAOYSA-N 2 0 263.429 2.771 20 0 CFADRP OCCCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121634100 186986077 /nfs/dbraw/zinc/98/60/77/186986077.db2.gz XWUMSFTUWCBEQC-UHFFFAOYSA-N 2 0 282.472 2.737 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000122121843 187015884 /nfs/dbraw/zinc/01/58/84/187015884.db2.gz AADZXIYQECUDOV-NNXHMXCWSA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)(O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121685921 186989297 /nfs/dbraw/zinc/98/92/97/186989297.db2.gz YBISUYCYZDCHIM-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP COc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1C ZINC000124264159 187129100 /nfs/dbraw/zinc/12/91/00/187129100.db2.gz BUNRLCQKUAHUGH-UHFFFAOYSA-N 2 0 262.397 2.579 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261403 282985003 /nfs/dbraw/zinc/98/50/03/282985003.db2.gz SEGKVDNIGFPXRY-IAQYHMDHSA-N 2 0 280.362 2.931 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000232970422 539911966 /nfs/dbraw/zinc/91/19/66/539911966.db2.gz IOWUEEBKLZLJKH-JKSUJKDBSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292177486 198192063 /nfs/dbraw/zinc/19/20/63/198192063.db2.gz QDTHCSAIOXMZIK-GOSISDBHSA-N 2 0 281.403 2.762 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000149108986 187920292 /nfs/dbraw/zinc/92/02/92/187920292.db2.gz YFPMMMIPZDEQGZ-KCQAQPDRSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422965175 295852206 /nfs/dbraw/zinc/85/22/06/295852206.db2.gz KKPODMYBCPTPJO-RDJZCZTQSA-N 2 0 292.467 2.896 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000153142953 539966896 /nfs/dbraw/zinc/96/68/96/539966896.db2.gz CWYKTYISVINREW-BHYGNILZSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000228536476 539971301 /nfs/dbraw/zinc/97/13/01/539971301.db2.gz KIBDRBDVQYEMQN-ARFHVFGLSA-N 2 0 274.408 2.563 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000153744246 188100562 /nfs/dbraw/zinc/10/05/62/188100562.db2.gz PYFVSZDFCGGOMI-HNNXBMFYSA-N 2 0 294.464 2.781 20 0 CFADRP CCC[NH+]1CCC(NCc2nc(C)c(C)s2)CC1 ZINC000094965708 539979552 /nfs/dbraw/zinc/97/95/52/539979552.db2.gz FKUBEJZZRZVRNO-UHFFFAOYSA-N 2 0 267.442 2.724 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390770684 539978275 /nfs/dbraw/zinc/97/82/75/539978275.db2.gz IYJLDCZNYYFLOM-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000154556931 188150125 /nfs/dbraw/zinc/15/01/25/188150125.db2.gz HIQONKQDXGLHCH-YCPHGPKFSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)c1ccccc1 ZINC000156130832 188244362 /nfs/dbraw/zinc/24/43/62/188244362.db2.gz YKZIRCJKNAPMQB-XHSDSOJGSA-N 2 0 275.440 2.584 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1 ZINC000234823516 539994211 /nfs/dbraw/zinc/99/42/11/539994211.db2.gz HNVKVWCJIHQPKK-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000156611904 188273042 /nfs/dbraw/zinc/27/30/42/188273042.db2.gz QRALMYYWSDYERX-GJZGRUSLSA-N 2 0 261.413 2.853 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000157065293 188295132 /nfs/dbraw/zinc/29/51/32/188295132.db2.gz PSZTUMFTWQJSOK-WFASDCNBSA-N 2 0 266.816 2.955 20 0 CFADRP CCOc1cncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000621338972 353328484 /nfs/dbraw/zinc/32/84/84/353328484.db2.gz QRFFSRLAJIWYSP-MQVJKMGUSA-N 2 0 289.423 2.585 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000621775636 353422448 /nfs/dbraw/zinc/42/24/48/353422448.db2.gz VGFUTPBKFLWXJL-IRXDYDNUSA-N 2 0 273.424 2.602 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000621777909 353423786 /nfs/dbraw/zinc/42/37/86/353423786.db2.gz IOPUDIHSPQUTNY-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158505096 188379231 /nfs/dbraw/zinc/37/92/31/188379231.db2.gz QMESFJHJNBRQRT-AEFFLSMTSA-N 2 0 288.435 2.654 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C)c1 ZINC000158581025 188383245 /nfs/dbraw/zinc/38/32/45/188383245.db2.gz SZWBHQTZAGYBHA-SJORKVTESA-N 2 0 289.467 2.894 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000158606359 188385793 /nfs/dbraw/zinc/38/57/93/188385793.db2.gz KOWPHAYUVQTPHX-HNNXBMFYSA-N 2 0 286.423 2.513 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CC1(F)F ZINC000622043680 353468636 /nfs/dbraw/zinc/46/86/36/353468636.db2.gz HQRBMMLOOYRREP-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP CC1CC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000622044759 353469189 /nfs/dbraw/zinc/46/91/89/353469189.db2.gz RNNHDIJLGKMDSK-FLMHQWFMSA-N 2 0 286.419 2.878 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000622045460 353469334 /nfs/dbraw/zinc/46/93/34/353469334.db2.gz WGTPDPJWKKZTBI-AVGNSLFASA-N 2 0 250.386 2.514 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087951 353585989 /nfs/dbraw/zinc/58/59/89/353585989.db2.gz QCFVLXCZTUMUMY-UHFFFAOYSA-N 2 0 297.874 2.622 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000623357327 353623906 /nfs/dbraw/zinc/62/39/06/353623906.db2.gz JGCMHWSIOHTYIF-BZUAXINKSA-N 2 0 281.488 2.712 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623359949 353624885 /nfs/dbraw/zinc/62/48/85/353624885.db2.gz KLLGKYAGLFUGBJ-IAGOWNOFSA-N 3 0 295.515 2.959 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000623364199 353625718 /nfs/dbraw/zinc/62/57/18/353625718.db2.gz YOLDFXOIBGQKHX-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccn2cc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)nc2c1 ZINC000623402313 353635891 /nfs/dbraw/zinc/63/58/91/353635891.db2.gz GDNPFUHHVHUASD-CQSZACIVSA-N 2 0 286.423 2.605 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623404217 353636022 /nfs/dbraw/zinc/63/60/22/353636022.db2.gz UWBGFPVGBCSTGR-HZPDHXFCSA-N 3 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCc2nccs2)CC1(C)C ZINC000623425967 353640755 /nfs/dbraw/zinc/64/07/55/353640755.db2.gz WVUFWBVAXKHPEN-GFCCVEGCSA-N 2 0 267.442 2.538 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623428981 353642282 /nfs/dbraw/zinc/64/22/82/353642282.db2.gz HMTAIPCRFOXYQW-LSDHHAIUSA-N 2 0 261.413 2.995 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623437164 353644979 /nfs/dbraw/zinc/64/49/79/353644979.db2.gz UJAWNRDCXDARTI-CQSZACIVSA-N 2 0 270.461 2.638 20 0 CFADRP Cn1cc([C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C(C)(C)C)cn1 ZINC000623439592 353645467 /nfs/dbraw/zinc/64/54/67/353645467.db2.gz PQARXUGJUYMUSP-LSDHHAIUSA-N 2 0 292.471 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623454146 353648370 /nfs/dbraw/zinc/64/83/70/353648370.db2.gz VFZXPPWCZMZIMB-KBPBESRZSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000623335369 353616698 /nfs/dbraw/zinc/61/66/98/353616698.db2.gz KJXATAADTMZCBT-AWEZNQCLSA-N 2 0 263.429 2.990 20 0 CFADRP Cc1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623338946 353618392 /nfs/dbraw/zinc/61/83/92/353618392.db2.gz CADTXJYNYRIOKX-INIZCTEOSA-N 2 0 260.425 3.000 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623339870 353618609 /nfs/dbraw/zinc/61/86/09/353618609.db2.gz NLURYBCDQOZWFN-HNNXBMFYSA-N 2 0 276.424 2.836 20 0 CFADRP CCOC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623504851 353658748 /nfs/dbraw/zinc/65/87/48/353658748.db2.gz BLRXFHYUCGQWCC-UONOGXRCSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)CC1(C)C ZINC000623514880 353661987 /nfs/dbraw/zinc/66/19/87/353661987.db2.gz DAIVYRTUPSKCQC-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COc3ccccc32)CC1(C)C ZINC000623526692 353664182 /nfs/dbraw/zinc/66/41/82/353664182.db2.gz OACFLVWEKFEYGX-UONOGXRCSA-N 2 0 274.408 2.625 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623531110 353664933 /nfs/dbraw/zinc/66/49/33/353664933.db2.gz HYLHLNOFBWDPEE-ZDUSSCGKSA-N 2 0 256.434 2.654 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc21 ZINC000623529108 353665028 /nfs/dbraw/zinc/66/50/28/353665028.db2.gz VLUHPAGDPGDHJH-HNNXBMFYSA-N 2 0 286.423 2.536 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623528741 353665071 /nfs/dbraw/zinc/66/50/71/353665071.db2.gz AHQUXPPKYKXORG-HUUCEWRRSA-N 2 0 269.477 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)CC1(C)C ZINC000623534011 353666040 /nfs/dbraw/zinc/66/60/40/353666040.db2.gz SQRWJNRVRNIMEW-INIZCTEOSA-N 3 0 281.488 2.715 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623549672 353669838 /nfs/dbraw/zinc/66/98/38/353669838.db2.gz LCADZJMAPYLWRH-BJJXKVORSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1(C)C ZINC000623553936 353670200 /nfs/dbraw/zinc/67/02/00/353670200.db2.gz LZTWGGFJVYJXTO-ZNMIVQPWSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1(C)C ZINC000623553935 353670451 /nfs/dbraw/zinc/67/04/51/353670451.db2.gz LZTWGGFJVYJXTO-KKUMJFAQSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623559255 353672138 /nfs/dbraw/zinc/67/21/38/353672138.db2.gz XITQTAMMSBAAMQ-UHFFFAOYSA-N 2 0 274.412 2.630 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC1(C)C ZINC000623559437 353672153 /nfs/dbraw/zinc/67/21/53/353672153.db2.gz ASGUTMHXFYEIIC-HZPDHXFCSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2COc3cc(F)ccc3C2)CC1(C)C ZINC000623569971 353674389 /nfs/dbraw/zinc/67/43/89/353674389.db2.gz CIJOWJUTXNUBES-HUUCEWRRSA-N 2 0 292.398 2.592 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC1(C)C ZINC000623572454 353674871 /nfs/dbraw/zinc/67/48/71/353674871.db2.gz ATXVGGGYLFXTMS-CQSZACIVSA-N 2 0 282.472 2.780 20 0 CFADRP COc1ccsc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656270 353696774 /nfs/dbraw/zinc/69/67/74/353696774.db2.gz QRQBKSLLHNMJMP-LBPRGKRZSA-N 2 0 268.426 2.578 20 0 CFADRP CCC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OCC ZINC000623599791 353682934 /nfs/dbraw/zinc/68/29/34/353682934.db2.gz RCJCCGMHGOCLEA-KGLIPLIRSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623654843 353695713 /nfs/dbraw/zinc/69/57/13/353695713.db2.gz KKXDSCSMWRVPDE-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623491248 353656020 /nfs/dbraw/zinc/65/60/20/353656020.db2.gz LAGHHZQZKJOILC-NWDGAFQWSA-N 2 0 267.442 2.709 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000623655110 353695982 /nfs/dbraw/zinc/69/59/82/353695982.db2.gz OOLHXXAWJJAQNZ-AWEZNQCLSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CS1 ZINC000623657750 353697743 /nfs/dbraw/zinc/69/77/43/353697743.db2.gz YADHBTMQGDUFNU-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000623657408 353698184 /nfs/dbraw/zinc/69/81/84/353698184.db2.gz QAZRENODLOLVOK-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP Cc1cccc([C@H]([NH2+]CCOCC[NH+](C)C)C(C)C)c1 ZINC000623967939 353771189 /nfs/dbraw/zinc/77/11/89/353771189.db2.gz NSSYZNIKQGXPSJ-QGZVFWFLSA-N 2 0 278.440 2.860 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CCCCO1 ZINC000623879094 353747047 /nfs/dbraw/zinc/74/70/47/353747047.db2.gz XYGGBMRNCGVLBG-CZUORRHYSA-N 2 0 266.429 2.551 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCCC2)CCC1 ZINC000624077914 353800003 /nfs/dbraw/zinc/80/00/03/353800003.db2.gz HMOMVJDTOGITFE-GDBMZVCRSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000624100771 353805935 /nfs/dbraw/zinc/80/59/35/353805935.db2.gz DHAXVGJSFWPPAF-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1CCSC1 ZINC000486952764 290386546 /nfs/dbraw/zinc/38/65/46/290386546.db2.gz YTJVJFXODMBERV-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624120008 353810622 /nfs/dbraw/zinc/81/06/22/353810622.db2.gz PKYITEWYEFEQIA-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119920 353810676 /nfs/dbraw/zinc/81/06/76/353810676.db2.gz MQSZOANPJCYCSH-CABCVRRESA-N 2 0 264.413 2.922 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000624121078 353811057 /nfs/dbraw/zinc/81/10/57/353811057.db2.gz NNAIHXYBXGZPDL-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122576 353811793 /nfs/dbraw/zinc/81/17/93/353811793.db2.gz VWFGPNGOOFXTQQ-OWCLPIDISA-N 2 0 282.472 2.900 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C[C@@H]1OC ZINC000624122366 353812062 /nfs/dbraw/zinc/81/20/62/353812062.db2.gz PGLQKGNCZFIJKM-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000624123606 353812824 /nfs/dbraw/zinc/81/28/24/353812824.db2.gz OZNKUKXLSBFRPQ-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP COC1(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCC1 ZINC000624123415 353813205 /nfs/dbraw/zinc/81/32/05/353813205.db2.gz LQKNVOISQYRYBS-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000624298646 353856556 /nfs/dbraw/zinc/85/65/56/353856556.db2.gz WDBVJZFFOOBIGB-MWQQHZPXSA-N 2 0 280.456 2.797 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000625179020 353989223 /nfs/dbraw/zinc/98/92/23/353989223.db2.gz PLWOGZIQLTZQCR-IAGOWNOFSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](OCC)C2CC2)CC1 ZINC000625207457 353995227 /nfs/dbraw/zinc/99/52/27/353995227.db2.gz KLEDXAQSCNUMQK-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1N ZINC000626063451 354184412 /nfs/dbraw/zinc/18/44/12/354184412.db2.gz DUBXVVRIWHBBRJ-UHFFFAOYSA-N 2 0 298.434 2.748 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000166054025 188634912 /nfs/dbraw/zinc/63/49/12/188634912.db2.gz QLSJPTOIDZBDMG-KGLIPLIRSA-N 2 0 268.401 2.595 20 0 CFADRP C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CCC[NH+](C)C1 ZINC000628140645 354444260 /nfs/dbraw/zinc/44/42/60/354444260.db2.gz SGCVKQSXOBEDMK-HNNXBMFYSA-N 2 0 271.408 2.942 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3n[nH]cc32)C[C@@H]1C ZINC000628183206 354464742 /nfs/dbraw/zinc/46/47/42/354464742.db2.gz UAYLLZZNYPWYEP-ZFWWWQNUSA-N 2 0 286.423 2.868 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@]2(C)CCCS2)C1 ZINC000628186264 354467016 /nfs/dbraw/zinc/46/70/16/354467016.db2.gz DMYPNRXEAKNHHY-CVEARBPZSA-N 2 0 282.497 2.936 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000628202925 354475205 /nfs/dbraw/zinc/47/52/05/354475205.db2.gz MVBIGBPJTOHZMH-OKILXGFUSA-N 2 0 279.428 2.831 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000628213785 354480035 /nfs/dbraw/zinc/48/00/35/354480035.db2.gz XWQCSSJTRSHDEQ-KSZLIROESA-N 2 0 295.515 2.676 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459658318 283030592 /nfs/dbraw/zinc/03/05/92/283030592.db2.gz PGXSAEUNGHDXFI-UICACZKSSA-N 2 0 274.383 2.898 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000628232538 354491421 /nfs/dbraw/zinc/49/14/21/354491421.db2.gz CACBBJGJJDPTBA-GFCCVEGCSA-N 2 0 253.390 2.583 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000628232837 354491433 /nfs/dbraw/zinc/49/14/33/354491433.db2.gz PZDCXTJODQLOIF-ROUUACIJSA-N 2 0 295.515 2.820 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC000628232613 354491805 /nfs/dbraw/zinc/49/18/05/354491805.db2.gz GJTDNEPOUGWWCF-GFCCVEGCSA-N 2 0 267.417 2.892 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000628233886 354492513 /nfs/dbraw/zinc/49/25/13/354492513.db2.gz ZTOHWZOHIQKMKB-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccncc2)CC1 ZINC000675926863 540027682 /nfs/dbraw/zinc/02/76/82/540027682.db2.gz HVGUBUBPAHOHIX-CQSZACIVSA-N 2 0 261.413 2.649 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)C[C@@]1(C)CCCS1 ZINC000628279878 354516543 /nfs/dbraw/zinc/51/65/43/354516543.db2.gz FAFOYMXUDWXBBG-CQSZACIVSA-N 2 0 258.475 2.936 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000628425907 354585898 /nfs/dbraw/zinc/58/58/98/354585898.db2.gz YVNACVUAUSEATO-HOCLYGCPSA-N 2 0 276.424 2.645 20 0 CFADRP Cc1ccc(CCC[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000628425702 354586227 /nfs/dbraw/zinc/58/62/27/354586227.db2.gz SJQGYEBNHNLDQL-QGZVFWFLSA-N 2 0 275.440 2.644 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000628425294 354586249 /nfs/dbraw/zinc/58/62/49/354586249.db2.gz GRPOEYQWLZSLBF-HNNXBMFYSA-N 2 0 272.436 2.723 20 0 CFADRP CC(C)(C)C1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629388523 354799315 /nfs/dbraw/zinc/79/93/15/354799315.db2.gz STKJDPBFIXBCDA-UHFFFAOYSA-N 2 0 268.445 2.689 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000629529540 354832961 /nfs/dbraw/zinc/83/29/61/354832961.db2.gz GLKZWDWJTDLSSY-HNNXBMFYSA-N 2 0 284.831 2.863 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000629529238 354833031 /nfs/dbraw/zinc/83/30/31/354833031.db2.gz WGEOOBIPBCZYPG-QMMMGPOBSA-N 2 0 297.251 2.942 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000629528798 354833108 /nfs/dbraw/zinc/83/31/08/354833108.db2.gz JMUXKKCOXBDPKR-LLVKDONJSA-N 2 0 290.329 2.592 20 0 CFADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629400217 354803022 /nfs/dbraw/zinc/80/30/22/354803022.db2.gz QPQIRILTOMLZPN-CABCVRRESA-N 2 0 256.434 2.546 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000629408362 354804789 /nfs/dbraw/zinc/80/47/89/354804789.db2.gz UIELOWMHAILSEZ-LLLHUVSDSA-N 2 0 258.409 2.738 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000629529990 354833207 /nfs/dbraw/zinc/83/32/07/354833207.db2.gz SEPDQUFZUKMVKN-NSHDSACASA-N 2 0 296.798 2.973 20 0 CFADRP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000629508813 354822863 /nfs/dbraw/zinc/82/28/63/354822863.db2.gz CNVHFJLUGSNUPY-UHFFFAOYSA-N 2 0 261.413 2.684 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000629513777 354824895 /nfs/dbraw/zinc/82/48/95/354824895.db2.gz IAFKLSNHRDWSBF-WCVJEAGWSA-N 2 0 258.409 2.896 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cc2c1 ZINC000629516810 354825668 /nfs/dbraw/zinc/82/56/68/354825668.db2.gz QYCCFXAOUQKFAM-KGLIPLIRSA-N 2 0 269.392 2.712 20 0 CFADRP CCC[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])OCC ZINC000629515929 354825835 /nfs/dbraw/zinc/82/58/35/354825835.db2.gz VZPCLDKYZGYOOT-DJIMGWMZSA-N 2 0 278.440 2.740 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])CO2 ZINC000629515606 354825859 /nfs/dbraw/zinc/82/58/59/354825859.db2.gz UIXBRNPZFUIQOH-BPUTZDHNSA-N 2 0 274.408 2.548 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629515860 354825912 /nfs/dbraw/zinc/82/59/12/354825912.db2.gz XRWXWMXPHFSXJN-IIHMKKKESA-N 2 0 288.435 2.521 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520049 354826414 /nfs/dbraw/zinc/82/64/14/354826414.db2.gz JZLNJECERBUACS-DLBZAZTESA-N 2 0 288.435 2.594 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H](C)C1CCCCC1 ZINC000629522147 354827774 /nfs/dbraw/zinc/82/77/74/354827774.db2.gz WFNITLOLGDAOGY-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C(C)(C)C ZINC000629521008 354827911 /nfs/dbraw/zinc/82/79/11/354827911.db2.gz NRSHKFXKQPLJSV-CQSZACIVSA-N 2 0 270.461 2.935 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522382 354828915 /nfs/dbraw/zinc/82/89/15/354828915.db2.gz YQGZXHGECSBDDU-OAHLLOKOSA-N 2 0 274.408 2.507 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000629527767 354831748 /nfs/dbraw/zinc/83/17/48/354831748.db2.gz FDCWWOSWCZLHAV-YESZJQIVSA-N 2 0 258.409 2.664 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2cccs2)CC[C@H]1C(F)(F)F ZINC000629657004 354879372 /nfs/dbraw/zinc/87/93/72/354879372.db2.gz SHUJZPWABSMXAQ-MWLCHTKSSA-N 2 0 278.343 2.707 20 0 CFADRP c1ccc2c(c1)C=C(C[NH2+]CCC[C@@H]1CCC[NH2+]1)CO2 ZINC000629649579 354876524 /nfs/dbraw/zinc/87/65/24/354876524.db2.gz WFFOXYSPFAKJIT-MRXNPFEDSA-N 2 0 272.392 2.584 20 0 CFADRP C[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)[C@H]1CC[NH3+] ZINC000629649821 354876704 /nfs/dbraw/zinc/87/67/04/354876704.db2.gz HQDZEODMSSBEPG-YOEHRIQHSA-N 2 0 286.419 2.912 20 0 CFADRP CC(C)CO[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000629534535 354834922 /nfs/dbraw/zinc/83/49/22/354834922.db2.gz AEPPASFFNWIOKI-APIJFGDWSA-N 2 0 268.445 2.556 20 0 CFADRP [NH3+]CCCOCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000629537743 354836667 /nfs/dbraw/zinc/83/66/67/354836667.db2.gz KVMXGWJFVSPYNY-UHFFFAOYSA-N 2 0 284.403 2.731 20 0 CFADRP CCC[C@H](C)CCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000629538427 354837005 /nfs/dbraw/zinc/83/70/05/354837005.db2.gz NWKWBWVPANZCFW-GOEBONIOSA-N 2 0 293.459 2.590 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000629540128 354838760 /nfs/dbraw/zinc/83/87/60/354838760.db2.gz UNZUTOOGNJNJFB-HOCLYGCPSA-N 2 0 296.842 2.931 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629540059 354838783 /nfs/dbraw/zinc/83/87/83/354838783.db2.gz SIPSSKRQNBDEJL-ZBFHGGJFSA-N 2 0 296.842 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543478 354840688 /nfs/dbraw/zinc/84/06/88/354840688.db2.gz CHOKSNPBCWMSHB-MRVWCRGKSA-N 2 0 297.805 2.527 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12)C1C[NH2+]C1 ZINC000629548390 354843914 /nfs/dbraw/zinc/84/39/14/354843914.db2.gz ZKNWXLPWSNRWEG-SECBINFHSA-N 2 0 295.789 2.700 20 0 CFADRP Clc1cccc([C@H]2CC[C@H](N[C@@H]3CC[NH2+]C3)C2)c1 ZINC000629553020 354845994 /nfs/dbraw/zinc/84/59/94/354845994.db2.gz FYPDVAFRBWUWLI-AEGPPILISA-N 2 0 264.800 2.928 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000629555905 354847158 /nfs/dbraw/zinc/84/71/58/354847158.db2.gz IBRORMITBLUNDL-ZUZCIYMTSA-N 2 0 264.800 2.915 20 0 CFADRP CCC(CC)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559244 354847736 /nfs/dbraw/zinc/84/77/36/354847736.db2.gz ALJVNGKNNSQZJS-RYUDHWBXSA-N 2 0 266.351 2.882 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629563421 354847868 /nfs/dbraw/zinc/84/78/68/354847868.db2.gz PRHXXYVIPBXOKQ-KBPBESRZSA-N 2 0 286.341 2.688 20 0 CFADRP Cc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565108 354848293 /nfs/dbraw/zinc/84/82/93/354848293.db2.gz JIBRGUWZUKTFPP-KGLIPLIRSA-N 2 0 286.341 2.954 20 0 CFADRP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC[NH3+] ZINC000629582223 354849969 /nfs/dbraw/zinc/84/99/69/354849969.db2.gz PJCCLKGBJYFEII-YPMHNXCESA-N 2 0 297.240 2.976 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000629581120 354850341 /nfs/dbraw/zinc/85/03/41/354850341.db2.gz NQHXSGBKOZABGX-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629584078 354851331 /nfs/dbraw/zinc/85/13/31/354851331.db2.gz LEECJLOUXWVRNT-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1C1CC1)C2 ZINC000629596367 354855226 /nfs/dbraw/zinc/85/52/26/354855226.db2.gz XNNCDTKBQGYTNF-HDICACEKSA-N 2 0 270.420 2.995 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2cccc(C[NH3+])c2)c1 ZINC000629701687 354900831 /nfs/dbraw/zinc/90/08/31/354900831.db2.gz XZOTVGVPRPTXNG-UHFFFAOYSA-N 2 0 270.376 2.753 20 0 CFADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(CC[NH+](C)C)cc2)c1 ZINC000629732783 354913475 /nfs/dbraw/zinc/91/34/75/354913475.db2.gz XCIIBKVQOGNUHC-IBGZPJMESA-N 2 0 298.430 2.711 20 0 CFADRP Cc1cccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000298213470 540089310 /nfs/dbraw/zinc/08/93/10/540089310.db2.gz ZIMWHKMAFOPMFM-UHFFFAOYSA-N 2 0 296.418 2.586 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)ccc2n1 ZINC000228689117 540112579 /nfs/dbraw/zinc/11/25/79/540112579.db2.gz PHQOBYIYOIERMZ-CJNGLKHVSA-N 2 0 269.392 2.855 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccsc3)c2)CC1 ZINC000630960861 355231834 /nfs/dbraw/zinc/23/18/34/355231834.db2.gz JJCWDYCIYCMXHT-UHFFFAOYSA-N 2 0 288.420 2.507 20 0 CFADRP Cc1scc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC000631068397 355273781 /nfs/dbraw/zinc/27/37/81/355273781.db2.gz PITWKGCSSVZTLY-MRXNPFEDSA-N 2 0 296.480 2.691 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271854574 191370232 /nfs/dbraw/zinc/37/02/32/191370232.db2.gz UOWVLYQJMFTUNF-UHFFFAOYSA-N 2 0 296.418 2.532 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271870261 191380783 /nfs/dbraw/zinc/38/07/83/191380783.db2.gz MLLVARLQZUKXCR-ZDUSSCGKSA-N 2 0 290.407 2.616 20 0 CFADRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)on1 ZINC000631071777 355275829 /nfs/dbraw/zinc/27/58/29/355275829.db2.gz PRKWBDQUGROFRF-UHFFFAOYSA-N 2 0 265.401 2.729 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cncc(OC)c2C)CC1 ZINC000631079747 355281062 /nfs/dbraw/zinc/28/10/62/355281062.db2.gz SFCORTSFPOTLMI-UHFFFAOYSA-N 2 0 291.439 2.610 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1(C)C ZINC000631253184 355375886 /nfs/dbraw/zinc/37/58/86/355375886.db2.gz FBPUBBXBJLBUJR-JYJNAYRXSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195891 355343373 /nfs/dbraw/zinc/34/33/73/355343373.db2.gz LHHSUHJOWLXJJP-KSSFIOAISA-N 2 0 298.434 2.576 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000631204748 355349614 /nfs/dbraw/zinc/34/96/14/355349614.db2.gz FCOIXKRSSYGBAT-JFIYKMOQSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000669430038 540149871 /nfs/dbraw/zinc/14/98/71/540149871.db2.gz KRWNPPBGOPEVEL-PBHICJAKSA-N 2 0 282.472 2.638 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)CC[NH+](C)C ZINC000631575501 355495461 /nfs/dbraw/zinc/49/54/61/355495461.db2.gz GKRYVFBHRVKXGF-WBMJQRKESA-N 2 0 262.397 2.612 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000631578689 355497739 /nfs/dbraw/zinc/49/77/39/355497739.db2.gz YVLKRIMQWAEALW-KRWDZBQOSA-N 2 0 274.408 2.614 20 0 CFADRP CCC1([NH+](C)C)CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000631477817 355452950 /nfs/dbraw/zinc/45/29/50/355452950.db2.gz TYIIEWZZPMIPCU-UHFFFAOYSA-N 2 0 272.396 2.874 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661592 355537266 /nfs/dbraw/zinc/53/72/66/355537266.db2.gz ACYBGDYJVSUYOY-KYHPRHEASA-N 2 0 290.451 2.768 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn[nH]c1 ZINC000631666022 355538255 /nfs/dbraw/zinc/53/82/55/355538255.db2.gz ZHCCCKMPZKGVQF-MPGHIAIKSA-N 2 0 298.434 2.828 20 0 CFADRP COCc1csc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000668172062 540163109 /nfs/dbraw/zinc/16/31/09/540163109.db2.gz COFMLCUHGBTDIE-GOEBONIOSA-N 2 0 294.464 2.811 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000631632084 355522522 /nfs/dbraw/zinc/52/25/22/355522522.db2.gz LFLHXUKQQZRRND-MUSFGAPCSA-N 2 0 286.419 2.897 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631636284 355525498 /nfs/dbraw/zinc/52/54/98/355525498.db2.gz BNSVJMDXWSRIJW-NXOAAHMSSA-N 2 0 292.467 2.656 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000631827710 355597591 /nfs/dbraw/zinc/59/75/91/355597591.db2.gz UWZWKKVIAUQERP-MJBXVCDLSA-N 2 0 272.383 2.743 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000631827796 355597695 /nfs/dbraw/zinc/59/76/95/355597695.db2.gz WWAADJVMYGZDMJ-DLBZAZTESA-N 2 0 287.451 2.828 20 0 CFADRP C(C[NH+]1CCC2(CCSCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000631837423 355600676 /nfs/dbraw/zinc/60/06/76/355600676.db2.gz SBSQYDUYUGJMEB-CQSZACIVSA-N 2 0 268.470 2.595 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CN1CCCc1ccc(Cl)cc1 ZINC000631858825 355606137 /nfs/dbraw/zinc/60/61/37/355606137.db2.gz DUOSZWFVXXMPPC-FZMZJTMJSA-N 2 0 252.789 2.694 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887959 355614461 /nfs/dbraw/zinc/61/44/61/355614461.db2.gz VRDOELSEANMOAU-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000631743149 355573377 /nfs/dbraw/zinc/57/33/77/355573377.db2.gz NSOPYVDDLUDEMX-IAOVAPTHSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C)s1 ZINC000631887609 355614902 /nfs/dbraw/zinc/61/49/02/355614902.db2.gz PJYAOBXRINPCEX-HIFRSBDPSA-N 2 0 264.438 2.939 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229332621 540179049 /nfs/dbraw/zinc/17/90/49/540179049.db2.gz GQQPUYOLGWKUMJ-OAHLLOKOSA-N 2 0 266.429 2.539 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085364156 540219632 /nfs/dbraw/zinc/21/96/32/540219632.db2.gz MSOVLUMHLJNJEN-CVEARBPZSA-N 2 0 289.423 2.594 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000375835881 283136369 /nfs/dbraw/zinc/13/63/69/283136369.db2.gz ADZJGSNINDIYFO-DCAQKATOSA-N 2 0 282.375 2.702 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H]2CCC[C@H]21 ZINC000424285362 283137883 /nfs/dbraw/zinc/13/78/83/283137883.db2.gz DQBJAQXYOZQQGR-QUSNUVHPSA-N 2 0 262.441 2.885 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)O1 ZINC000449083223 291083042 /nfs/dbraw/zinc/08/30/42/291083042.db2.gz SKIHVYQKDGLZEH-XFIYOXNOSA-N 2 0 268.445 2.510 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247978279 540241817 /nfs/dbraw/zinc/24/18/17/540241817.db2.gz IASGIJAFNOBNDQ-WMLDXEAASA-N 2 0 260.425 2.864 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)ccc2n1 ZINC000334847367 540253825 /nfs/dbraw/zinc/25/38/25/540253825.db2.gz MEICZPFTIILQJO-HOTGVXAUSA-N 2 0 269.392 2.903 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)ccc2n1 ZINC000334847363 540253855 /nfs/dbraw/zinc/25/38/55/540253855.db2.gz MEICZPFTIILQJO-CVEARBPZSA-N 2 0 269.392 2.903 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000567871057 290501485 /nfs/dbraw/zinc/50/14/85/290501485.db2.gz MBLXDKQVTFGJRE-KBPBESRZSA-N 2 0 269.392 2.964 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C/C=C/c1ccc(F)cc1F ZINC000568882801 290575826 /nfs/dbraw/zinc/57/58/26/290575826.db2.gz DLHBYILBDBMOTA-MJKAUQOVSA-N 2 0 254.324 2.693 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414693056 283281113 /nfs/dbraw/zinc/28/11/13/283281113.db2.gz DHEOXZXBZYPMGL-WRQOLXDDSA-N 2 0 294.483 2.900 20 0 CFADRP Fc1cccc(F)c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073096 540281583 /nfs/dbraw/zinc/28/15/83/540281583.db2.gz ADSPPWCSINTBJS-OLZOCXBDSA-N 2 0 280.362 2.724 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339073762 540282055 /nfs/dbraw/zinc/28/20/55/540282055.db2.gz DYRBMTOKRWOZDK-IKGGRYGDSA-N 2 0 288.435 2.979 20 0 CFADRP c1ccc(NCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339076626 540282813 /nfs/dbraw/zinc/28/28/13/540282813.db2.gz VTXIZQIQPPWMGT-IRXDYDNUSA-N 2 0 273.424 2.705 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339068621 540283731 /nfs/dbraw/zinc/28/37/31/540283731.db2.gz OKXDZMKBXJXOGG-XWTMOSNGSA-N 2 0 293.499 2.571 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000088555201 540296727 /nfs/dbraw/zinc/29/67/27/540296727.db2.gz ZCCYWFUMSHVLQE-MSOLQXFVSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335565075 290600596 /nfs/dbraw/zinc/60/05/96/290600596.db2.gz NCKQKBMKQLFJRR-MAUKXSAKSA-N 2 0 293.499 2.761 20 0 CFADRP CCC[NH+]1CCC(NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000151025112 540343798 /nfs/dbraw/zinc/34/37/98/540343798.db2.gz IRJOYYKEWWLHHS-UHFFFAOYSA-N 2 0 289.467 2.582 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000294529572 199074522 /nfs/dbraw/zinc/07/45/22/199074522.db2.gz ZVISEIFLAMNYQN-WQVCFCJDSA-N 2 0 296.842 2.693 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000200369130 540381499 /nfs/dbraw/zinc/38/14/99/540381499.db2.gz JKSALRLZBUHALS-MRXNPFEDSA-N 2 0 267.376 2.708 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000294704622 199143539 /nfs/dbraw/zinc/14/35/39/199143539.db2.gz BBSMYVHOMCMIQS-JJRVBVJISA-N 2 0 276.424 2.794 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(OC)CCC2)C1 ZINC000429508766 283351397 /nfs/dbraw/zinc/35/13/97/283351397.db2.gz CUSDXZRDJDZOFJ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358793 291146320 /nfs/dbraw/zinc/14/63/20/291146320.db2.gz HHBJBPHLYBLYTB-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)C1 ZINC000401032421 291147700 /nfs/dbraw/zinc/14/77/00/291147700.db2.gz QFGFZAIYPBTQPM-TWHJKIGZSA-N 2 0 250.430 2.789 20 0 CFADRP Fc1ccc(C[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420300752 236606492 /nfs/dbraw/zinc/60/64/92/236606492.db2.gz KLCPOBVBRNVLAM-HZPDHXFCSA-N 2 0 276.399 2.690 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420322400 236617983 /nfs/dbraw/zinc/61/79/83/236617983.db2.gz DZGOQGTYFLEOGJ-SJORKVTESA-N 2 0 288.435 2.777 20 0 CFADRP c1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]2CCOC2)cc1 ZINC000420412064 236640357 /nfs/dbraw/zinc/64/03/57/236640357.db2.gz SAFSNDHGBQDMIY-ZWKOTPCHSA-N 2 0 288.435 2.744 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)OC)CC1 ZINC000294934447 199258357 /nfs/dbraw/zinc/25/83/57/199258357.db2.gz ZTYBMHZZGMWLNK-GOSISDBHSA-N 2 0 290.451 2.708 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000414881670 283406863 /nfs/dbraw/zinc/40/68/63/283406863.db2.gz SNBMWKHCZHHYMP-JKSUJKDBSA-N 2 0 258.409 2.869 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000423136196 283412879 /nfs/dbraw/zinc/41/28/79/283412879.db2.gz UVCMVFGRQROPQR-SRHKJQAYSA-N 2 0 282.334 2.648 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000093210081 540426459 /nfs/dbraw/zinc/42/64/59/540426459.db2.gz LREJVQGPZMHMIE-ZIAGYGMSSA-N 2 0 257.381 2.570 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000252434110 540435812 /nfs/dbraw/zinc/43/58/12/540435812.db2.gz DUVVIJXCJYJKPB-HZPDHXFCSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878035 299289443 /nfs/dbraw/zinc/28/94/43/299289443.db2.gz IRTDOWJXQWZOCL-IXDOHACOSA-N 3 0 281.488 2.619 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(N)ccc32)CC1 ZINC000094075419 540442159 /nfs/dbraw/zinc/44/21/59/540442159.db2.gz OUXCWNLJKIYAKQ-QGZVFWFLSA-N 2 0 273.424 2.720 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cn1 ZINC000397010647 540451249 /nfs/dbraw/zinc/45/12/49/540451249.db2.gz BXLRZTIGVSMXQA-AWEZNQCLSA-N 2 0 261.413 2.518 20 0 CFADRP CC(C)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000678773140 540478662 /nfs/dbraw/zinc/47/86/62/540478662.db2.gz UNQWWDIMEFCUFT-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000678773282 540479037 /nfs/dbraw/zinc/47/90/37/540479037.db2.gz MPGGUCNGTIYJRB-HNNXBMFYSA-N 2 0 272.436 2.865 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000678601792 540469249 /nfs/dbraw/zinc/46/92/49/540469249.db2.gz GIHAVKGUOVDXQR-RDJZCZTQSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccn1 ZINC000158576655 299290703 /nfs/dbraw/zinc/29/07/03/299290703.db2.gz SNKODJLPWMMKQG-XHSDSOJGSA-N 2 0 290.455 2.885 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1C ZINC000422558512 237103899 /nfs/dbraw/zinc/10/38/99/237103899.db2.gz AZWGNDCGACVHTJ-FMKPAKJESA-N 2 0 276.424 2.809 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)n1 ZINC000422641298 237117535 /nfs/dbraw/zinc/11/75/35/237117535.db2.gz XKOSHPABNFVAFH-KFNAQCHYSA-N 2 0 261.413 2.504 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694467 237118437 /nfs/dbraw/zinc/11/84/37/237118437.db2.gz OEBPVSOHGVUHNJ-ABAIWWIYSA-N 2 0 268.351 2.614 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000422730603 237146012 /nfs/dbraw/zinc/14/60/12/237146012.db2.gz MHQGLJSKHBZHDJ-ILXRZTDVSA-N 2 0 256.434 2.546 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422736640 237147448 /nfs/dbraw/zinc/14/74/48/237147448.db2.gz YMJWZZXCOGLKQT-ZWKOTPCHSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698798 237123066 /nfs/dbraw/zinc/12/30/66/237123066.db2.gz BAMBQGMBGNGVRT-UONOGXRCSA-N 2 0 264.800 2.841 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000422709326 237127767 /nfs/dbraw/zinc/12/77/67/237127767.db2.gz YWSRZXWCZMXTTM-GDBMZVCRSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422728683 237141701 /nfs/dbraw/zinc/14/17/01/237141701.db2.gz GNLRDZNXNDVHBJ-WFASDCNBSA-N 2 0 266.816 2.860 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422770559 237185017 /nfs/dbraw/zinc/18/50/17/237185017.db2.gz QIDAUMCABAIMQF-WFASDCNBSA-N 2 0 262.372 2.574 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422770614 237185944 /nfs/dbraw/zinc/18/59/44/237185944.db2.gz UXEPGWQJQQCIII-PZDALLCQSA-N 2 0 285.391 2.957 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422769714 237186121 /nfs/dbraw/zinc/18/61/21/237186121.db2.gz PFODEOZYRWLVPN-ZIAGYGMSSA-N 2 0 269.392 2.964 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422773837 237190922 /nfs/dbraw/zinc/19/09/22/237190922.db2.gz ZJSKLUVBEFISFU-ZFWWWQNUSA-N 2 0 266.816 2.990 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435783589 240352044 /nfs/dbraw/zinc/35/20/44/240352044.db2.gz YIJAGNJYGGXMIF-MWQQHZPXSA-N 2 0 258.409 2.862 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1oc2ccccc2c1C ZINC000422748258 237161612 /nfs/dbraw/zinc/16/16/12/237161612.db2.gz SUQREAYGHVDTBW-CYBMUJFWSA-N 2 0 276.380 2.585 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422750146 237163157 /nfs/dbraw/zinc/16/31/57/237163157.db2.gz ACMUWUSCYMCUQV-GJZGRUSLSA-N 2 0 257.381 2.501 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746740 237163716 /nfs/dbraw/zinc/16/37/16/237163716.db2.gz XCWKUBAZLYUNAE-WDEREUQCSA-N 2 0 269.458 2.699 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250825563 540531769 /nfs/dbraw/zinc/53/17/69/540531769.db2.gz WZBZAWNYQXQRSB-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422764472 237177803 /nfs/dbraw/zinc/17/78/03/237177803.db2.gz UZKCEBPUYYWBHN-KBRIMQKVSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(Br)cc1 ZINC000422765301 237178494 /nfs/dbraw/zinc/17/84/94/237178494.db2.gz QTCHAJUPFJSUNB-GHMZBOCLSA-N 2 0 285.229 2.707 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422764500 237178688 /nfs/dbraw/zinc/17/86/88/237178688.db2.gz PTXFJFYNMSOFEG-NXEZZACHSA-N 2 0 260.303 2.921 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251164201 540534387 /nfs/dbraw/zinc/53/43/87/540534387.db2.gz MUXZXJFBGQYVEG-IAGOWNOFSA-N 2 0 258.409 2.959 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422796253 237217740 /nfs/dbraw/zinc/21/77/40/237217740.db2.gz XWYNSGCXBFASPQ-XOKHGSTOSA-N 2 0 292.423 2.712 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422795790 237217870 /nfs/dbraw/zinc/21/78/70/237217870.db2.gz ICGIAMQGTADWCL-UWVGGRQHSA-N 2 0 276.302 2.801 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000422794862 237217888 /nfs/dbraw/zinc/21/78/88/237217888.db2.gz HBFZGTORVYRYKA-SRVKXCTJSA-N 2 0 270.804 2.823 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422794280 237218924 /nfs/dbraw/zinc/21/89/24/237218924.db2.gz YYLJJXPVFQQKOS-CABCVRRESA-N 2 0 286.423 2.676 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422794282 237219088 /nfs/dbraw/zinc/21/90/88/237219088.db2.gz YYLJJXPVFQQKOS-GJZGRUSLSA-N 2 0 286.423 2.676 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1[NH3+] ZINC000251850510 540553067 /nfs/dbraw/zinc/55/30/67/540553067.db2.gz RSOVQAMSYVBTPN-MLGOLLRUSA-N 2 0 287.382 2.933 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(F)cc2C)CC[C@H]1[NH3+] ZINC000251863497 540553351 /nfs/dbraw/zinc/55/33/51/540553351.db2.gz TUKIFHMRVSBUOM-SWLSCSKDSA-N 2 0 250.361 2.693 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422777085 237194268 /nfs/dbraw/zinc/19/42/68/237194268.db2.gz FCWXYNCBAFKVRM-KGLIPLIRSA-N 2 0 262.397 2.878 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422777084 237195715 /nfs/dbraw/zinc/19/57/15/237195715.db2.gz FCWXYNCBAFKVRM-KBPBESRZSA-N 2 0 262.397 2.878 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422776266 237195754 /nfs/dbraw/zinc/19/57/54/237195754.db2.gz CMKSIIGSLAPKHQ-HOTGVXAUSA-N 2 0 280.387 2.844 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000422780898 237197752 /nfs/dbraw/zinc/19/77/52/237197752.db2.gz KYXAEDDKJMVDJG-VHSXEESVSA-N 2 0 260.303 2.921 20 0 CFADRP C[C@H](OCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422779262 237198165 /nfs/dbraw/zinc/19/81/65/237198165.db2.gz FPMMZSDQLMOXTP-UAGQMJEPSA-N 2 0 276.424 2.871 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422780310 237199663 /nfs/dbraw/zinc/19/96/63/237199663.db2.gz CSXQSPDJLMOREH-UONOGXRCSA-N 2 0 280.412 2.570 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Sc1ccccc1 ZINC000422785764 237205843 /nfs/dbraw/zinc/20/58/43/237205843.db2.gz JYXSCSGUGGRZFI-IPYPFGDCSA-N 2 0 264.438 2.884 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000422785875 237209341 /nfs/dbraw/zinc/20/93/41/237209341.db2.gz PPVHHCXHBGJUFT-KURKYZTESA-N 2 0 289.467 2.847 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422791715 237216016 /nfs/dbraw/zinc/21/60/16/237216016.db2.gz QOVVQSOSEFPJRK-INMHGKMJSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000422815565 237242220 /nfs/dbraw/zinc/24/22/20/237242220.db2.gz XXQJKPWNKHKQQJ-KBPBESRZSA-N 2 0 272.392 2.934 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cccc3cccnc32)CC1 ZINC000422816417 237243981 /nfs/dbraw/zinc/24/39/81/237243981.db2.gz FDKSELPHQHRALJ-UHFFFAOYSA-N 2 0 283.419 2.884 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422818878 237245683 /nfs/dbraw/zinc/24/56/83/237245683.db2.gz HHMHGQXLSJZUAA-IUODEOHRSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCOC1CCCC1 ZINC000422823253 237251117 /nfs/dbraw/zinc/25/11/17/237251117.db2.gz CXLLRYQYYOAAMS-ZDUSSCGKSA-N 2 0 291.439 2.849 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422830823 237256846 /nfs/dbraw/zinc/25/68/46/237256846.db2.gz DCSPNGIQFGHBOK-INMHGKMJSA-N 2 0 275.440 2.913 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422835293 237261189 /nfs/dbraw/zinc/26/11/89/237261189.db2.gz PFEIASSHGOWMTF-MSOLQXFVSA-N 2 0 298.434 2.681 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422806956 237229863 /nfs/dbraw/zinc/22/98/63/237229863.db2.gz JCORVULMUNWAAU-FSDCSDTHSA-N 2 0 276.424 2.931 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422805033 237230401 /nfs/dbraw/zinc/23/04/01/237230401.db2.gz LKYWOTBTRIJVAB-ZWKOTPCHSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000252834981 540568398 /nfs/dbraw/zinc/56/83/98/540568398.db2.gz SROOTLUVLGPXLT-CABCVRRESA-N 2 0 274.408 2.756 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422805032 237231745 /nfs/dbraw/zinc/23/17/45/237231745.db2.gz LKYWOTBTRIJVAB-ROUUACIJSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422810759 237236683 /nfs/dbraw/zinc/23/66/83/237236683.db2.gz SJYDCUJRMYKSIT-SJLPKXTDSA-N 2 0 281.403 2.966 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422814345 237239450 /nfs/dbraw/zinc/23/94/50/237239450.db2.gz UKIKBBHBMQXVRD-QGZVFWFLSA-N 2 0 290.451 2.842 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000422814630 237240958 /nfs/dbraw/zinc/24/09/58/237240958.db2.gz VQRFPNVOFQFZBR-IRXDYDNUSA-N 2 0 278.440 2.770 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422814360 237241071 /nfs/dbraw/zinc/24/10/71/237241071.db2.gz UMUWCZJNRPWKIR-HOTGVXAUSA-N 2 0 258.409 2.968 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422855648 237277107 /nfs/dbraw/zinc/27/71/07/237277107.db2.gz CXISWJNEDWAMRM-MSOLQXFVSA-N 2 0 298.434 2.664 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC[C@H]1C ZINC000422856533 237277141 /nfs/dbraw/zinc/27/71/41/237277141.db2.gz GGBVMAIXGWJXTJ-BRWVUGGUSA-N 2 0 281.488 2.761 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000422863578 237282435 /nfs/dbraw/zinc/28/24/35/237282435.db2.gz SASCOODHKBWDHF-VXGBXAGGSA-N 2 0 299.484 2.845 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)c1ccccc1 ZINC000422867213 237284097 /nfs/dbraw/zinc/28/40/97/237284097.db2.gz RVJNUVUSDQJDLU-LSDHHAIUSA-N 2 0 263.429 2.618 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952425 540596418 /nfs/dbraw/zinc/59/64/18/540596418.db2.gz VYMSVIHRIGKCHK-RDJZCZTQSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952424 540596447 /nfs/dbraw/zinc/59/64/47/540596447.db2.gz VYMSVIHRIGKCHK-NVXWUHKLSA-N 2 0 272.436 2.987 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666955456 540597158 /nfs/dbraw/zinc/59/71/58/540597158.db2.gz LNKZPAJIHIIGJH-WOPDTQHZSA-N 2 0 276.346 2.839 20 0 CFADRP COCc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422874001 237292122 /nfs/dbraw/zinc/29/21/22/237292122.db2.gz BTHHNZFXYUWBII-CYBMUJFWSA-N 2 0 299.418 2.846 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cc(-c3ccccc3)on2)CC1 ZINC000422878906 237299032 /nfs/dbraw/zinc/29/90/32/237299032.db2.gz LFPJKRWYNCMZME-UHFFFAOYSA-N 2 0 285.391 2.949 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422839899 237264230 /nfs/dbraw/zinc/26/42/30/237264230.db2.gz AQCXWUWWSRHMEF-CABCVRRESA-N 2 0 262.372 2.717 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422839301 237264335 /nfs/dbraw/zinc/26/43/35/237264335.db2.gz ZSSRGBHVOWRYDI-XJKSGUPXSA-N 2 0 280.387 2.702 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)c[nH]c2c1 ZINC000422842397 237268856 /nfs/dbraw/zinc/26/88/56/237268856.db2.gz FTGHNNDIMKYPFY-RHSMWYFYSA-N 2 0 285.435 2.997 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000666857947 540587827 /nfs/dbraw/zinc/58/78/27/540587827.db2.gz QRJOJTLZHDBNBC-SOLBZPMBSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1-n1cccn1 ZINC000422882157 237303738 /nfs/dbraw/zinc/30/37/38/237303738.db2.gz AIIPZVQUPUXRGZ-GJZGRUSLSA-N 2 0 284.407 2.665 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422886293 237304468 /nfs/dbraw/zinc/30/44/68/237304468.db2.gz ITNYXMXEMUTFGX-JTQLQIEISA-N 2 0 256.777 2.566 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422885837 237304993 /nfs/dbraw/zinc/30/49/93/237304993.db2.gz HHOAVSNBRZTGOE-NXEZZACHSA-N 2 0 256.777 2.564 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000422902013 237323137 /nfs/dbraw/zinc/32/31/37/237323137.db2.gz MHGYNJMCJNWCCD-CYBMUJFWSA-N 2 0 278.421 2.745 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422904367 237329389 /nfs/dbraw/zinc/32/93/89/237329389.db2.gz XFWJQOCWGCOZLI-DOTOQJQBSA-N 2 0 276.424 2.884 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000669927673 540617868 /nfs/dbraw/zinc/61/78/68/540617868.db2.gz XGQOHGHMWXRPNF-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422913814 237335345 /nfs/dbraw/zinc/33/53/45/237335345.db2.gz QULPDBBRCTUADY-USXIJHARSA-N 2 0 290.451 2.597 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000513204912 540632709 /nfs/dbraw/zinc/63/27/09/540632709.db2.gz XHBHJOGBNGCKKA-FGTAOJJYSA-N 2 0 292.467 2.939 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422931537 237361915 /nfs/dbraw/zinc/36/19/15/237361915.db2.gz XTSJOUYEFHCSBV-HOTGVXAUSA-N 2 0 258.409 2.869 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cccc2ccccc21 ZINC000422937780 237367067 /nfs/dbraw/zinc/36/70/67/237367067.db2.gz OULCFZBZJCHPPS-KRWDZBQOSA-N 2 0 286.419 2.726 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000422936386 237367633 /nfs/dbraw/zinc/36/76/33/237367633.db2.gz BMHRWPKSTCGCRH-RYUDHWBXSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422936657 237369511 /nfs/dbraw/zinc/36/95/11/237369511.db2.gz FNAQELLVJMNMBX-WDEREUQCSA-N 2 0 290.329 2.800 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422936735 237369944 /nfs/dbraw/zinc/36/99/44/237369944.db2.gz FXRRTANIFOECIL-JKSUJKDBSA-N 2 0 276.424 2.932 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422941510 237370764 /nfs/dbraw/zinc/37/07/64/237370764.db2.gz JJJQXKNPXPFIBX-IUODEOHRSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000422945219 237373326 /nfs/dbraw/zinc/37/33/26/237373326.db2.gz NAUCRXLHJSVTJH-KBPBESRZSA-N 2 0 272.392 2.934 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422917023 237345537 /nfs/dbraw/zinc/34/55/37/237345537.db2.gz FHIHEBLTMPXCJK-VVLHAWIVSA-N 2 0 258.409 2.867 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)C1C[NH2+]C1 ZINC000422946376 237375311 /nfs/dbraw/zinc/37/53/11/237375311.db2.gz WOSVXFTVFLZELQ-OAHLLOKOSA-N 2 0 296.414 2.963 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000422952112 237382270 /nfs/dbraw/zinc/38/22/70/237382270.db2.gz BSOBZGQGQKDLKZ-ZIAGYGMSSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422953477 237382514 /nfs/dbraw/zinc/38/25/14/237382514.db2.gz FNWLDOGNTNWUBH-RKDXNWHRSA-N 2 0 289.192 2.804 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422957413 237385291 /nfs/dbraw/zinc/38/52/91/237385291.db2.gz TZUQJWKHIBNYEZ-CVEARBPZSA-N 2 0 299.418 2.721 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422962223 237390559 /nfs/dbraw/zinc/39/05/59/237390559.db2.gz CDCNGIWYGJNBCF-LERXQTSPSA-N 2 0 265.401 2.502 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000422959584 237391794 /nfs/dbraw/zinc/39/17/94/237391794.db2.gz STRSBRIVXOYDPG-KEYYUXOJSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@H](NCc1cccc(-c2cnn(C)c2)c1)[C@H]1CCCC[NH2+]1 ZINC000422965643 237392897 /nfs/dbraw/zinc/39/28/97/237392897.db2.gz PDFMQWGEDVFJBW-KBXCAEBGSA-N 2 0 298.434 2.707 20 0 CFADRP CS[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)(C)C ZINC000423033314 237463373 /nfs/dbraw/zinc/46/33/73/237463373.db2.gz OFRBBJPLBDQALO-WXRRBKDZSA-N 2 0 258.475 2.871 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000063158760 283503493 /nfs/dbraw/zinc/50/34/93/283503493.db2.gz LRIZHFHCOHLCQT-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380416641 540687619 /nfs/dbraw/zinc/68/76/19/540687619.db2.gz GLYYBOHDONOUMX-RDJZCZTQSA-N 2 0 274.408 2.646 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000298224806 200365340 /nfs/dbraw/zinc/36/53/40/200365340.db2.gz UUATUTRKAYHQPX-IAGOWNOFSA-N 2 0 276.424 2.574 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435874699 240362814 /nfs/dbraw/zinc/36/28/14/240362814.db2.gz MUGYTWHCGDFYAP-GXTWGEPZSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000670158134 540694698 /nfs/dbraw/zinc/69/46/98/540694698.db2.gz MLUYNANVUGKRQV-FZKCQIBNSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](c1ccccn1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000177201704 189036431 /nfs/dbraw/zinc/03/64/31/189036431.db2.gz CTOVUIAVZBOPBW-CQSZACIVSA-N 2 0 261.413 2.806 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422882882 283553121 /nfs/dbraw/zinc/55/31/21/283553121.db2.gz BKIIRLXFHDWHPU-FVQBIDKESA-N 2 0 274.408 2.802 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]CC2=CCCOC2)c1 ZINC000178162180 189094731 /nfs/dbraw/zinc/09/47/31/189094731.db2.gz PMNNPGTWIXLWJK-UHFFFAOYSA-N 2 0 288.435 2.963 20 0 CFADRP CCN1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229621456 540774546 /nfs/dbraw/zinc/77/45/46/540774546.db2.gz ILBILBZIQNPZDR-HNNXBMFYSA-N 2 0 257.381 2.742 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178413655 189114488 /nfs/dbraw/zinc/11/44/88/189114488.db2.gz DHPJPHGEPXPQAA-JLTOFOAXSA-N 2 0 294.464 2.561 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000178683485 189136976 /nfs/dbraw/zinc/13/69/76/189136976.db2.gz AZCMZGYXWGYMCE-PBHICJAKSA-N 2 0 276.424 2.794 20 0 CFADRP COC[C@H](C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178667756 189135771 /nfs/dbraw/zinc/13/57/71/189135771.db2.gz BUZNOONUBWELHH-HUUCEWRRSA-N 2 0 294.439 2.560 20 0 CFADRP COC[C@H](C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178669824 189135992 /nfs/dbraw/zinc/13/59/92/189135992.db2.gz RXKFVFGJBGPKBD-HUUCEWRRSA-N 2 0 294.439 2.560 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335015466 283583883 /nfs/dbraw/zinc/58/38/83/283583883.db2.gz YYDQMNWBTXQZKP-WBVHZDCISA-N 2 0 258.409 2.794 20 0 CFADRP Fc1ccc(C[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178973751 189158631 /nfs/dbraw/zinc/15/86/31/189158631.db2.gz QLNXDCNXZPKCBN-MRXNPFEDSA-N 2 0 276.399 2.690 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CC(c2ccccc2)C1 ZINC000423104507 238201750 /nfs/dbraw/zinc/20/17/50/238201750.db2.gz BPUZXBBCUUTNGH-BDVYOWHSSA-N 2 0 276.424 2.524 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414909717 540830012 /nfs/dbraw/zinc/83/00/12/540830012.db2.gz CFMKWANBWNBGOT-LSDHHAIUSA-N 2 0 284.407 2.540 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423095269 238198234 /nfs/dbraw/zinc/19/82/34/238198234.db2.gz LVJMZUGCSIFZRY-XOUADPBQSA-N 2 0 262.372 2.789 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1SC ZINC000423094855 238198627 /nfs/dbraw/zinc/19/86/27/238198627.db2.gz CVMWMDVDHKCAHB-QWHCGFSZSA-N 2 0 282.453 2.813 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414911108 540830392 /nfs/dbraw/zinc/83/03/92/540830392.db2.gz DLFARRRQBSUPEI-HZPDHXFCSA-N 2 0 284.407 2.745 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)c2ccccc21 ZINC000423121459 238212726 /nfs/dbraw/zinc/21/27/26/238212726.db2.gz IJAJZDANMRDTQS-RMHZUWNSSA-N 2 0 274.408 2.520 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nc2[nH]1 ZINC000423123609 238216444 /nfs/dbraw/zinc/21/64/44/238216444.db2.gz NATZJAHXFZCFBJ-ARFHVFGLSA-N 2 0 284.407 2.573 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000414925080 540831224 /nfs/dbraw/zinc/83/12/24/540831224.db2.gz KZHBEOIBSBIKGY-CVEARBPZSA-N 2 0 274.408 2.835 20 0 CFADRP Cc1cc(CCN[C@H](C)[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423125584 238218191 /nfs/dbraw/zinc/21/81/91/238218191.db2.gz AGMDFOZTXVXRKN-DOMZBBRYSA-N 2 0 266.816 2.921 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414934877 540831717 /nfs/dbraw/zinc/83/17/17/540831717.db2.gz YGSXOHWXTSSQEI-SOUVJXGZSA-N 2 0 289.423 2.572 20 0 CFADRP c1nc(C2CC2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414968594 540832481 /nfs/dbraw/zinc/83/24/81/540832481.db2.gz RSQWNLAZBNANSY-LBPRGKRZSA-N 2 0 265.426 2.642 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423268357 283587155 /nfs/dbraw/zinc/58/71/55/283587155.db2.gz GDLMGKJGOIOGTD-OZVIIMIRSA-N 2 0 264.388 2.894 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000423108151 238204919 /nfs/dbraw/zinc/20/49/19/238204919.db2.gz SWZXKRWQCDJGLI-BZUAXINKSA-N 2 0 276.424 2.585 20 0 CFADRP FC1(F)CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423114885 238209329 /nfs/dbraw/zinc/20/93/29/238209329.db2.gz MJUSDRNOLDPBBE-FKJOKYEKSA-N 2 0 258.356 2.685 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118154 238211698 /nfs/dbraw/zinc/21/16/98/238211698.db2.gz ZALVRPDBUWWGHT-PZJKJEQHSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423139350 238227138 /nfs/dbraw/zinc/22/71/38/238227138.db2.gz ZLGHOHAHOODGKT-XUXIUFHCSA-N 2 0 290.398 2.544 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423152402 238235993 /nfs/dbraw/zinc/23/59/93/238235993.db2.gz DYSQCZZMGVSBOT-CMPLNLGQSA-N 2 0 287.329 2.708 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423155865 238239369 /nfs/dbraw/zinc/23/93/69/238239369.db2.gz RGYRIUKAIBYMLS-CZUORRHYSA-N 2 0 264.388 2.654 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423156068 238239546 /nfs/dbraw/zinc/23/95/46/238239546.db2.gz RQXFNJZBCZEJFQ-WFASDCNBSA-N 2 0 289.448 2.542 20 0 CFADRP C[C@@H](c1nc(C2([NH3+])CCCC2)no1)[C@H]([NH3+])c1ccccc1 ZINC000435910501 240368280 /nfs/dbraw/zinc/36/82/80/240368280.db2.gz XBDNTAQWQNWUCJ-YPMHNXCESA-N 2 0 286.379 2.601 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC000670267835 540848847 /nfs/dbraw/zinc/84/88/47/540848847.db2.gz VSHFCHVJWFEGAP-CABCVRRESA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083227 291241204 /nfs/dbraw/zinc/24/12/04/291241204.db2.gz SKIHVYQKDGLZEH-ZVDSWSACSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000423133442 238222303 /nfs/dbraw/zinc/22/23/03/238222303.db2.gz KMKJRLVXNFRMJO-HJWJTTGWSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H](CNc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000670267986 540849381 /nfs/dbraw/zinc/84/93/81/540849381.db2.gz AJGOPQAWFBQHRU-CQSZACIVSA-N 2 0 290.455 2.928 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423132564 238222823 /nfs/dbraw/zinc/22/28/23/238222823.db2.gz POBDIPUYCIZWCL-BBWFWOEESA-N 2 0 258.409 2.897 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(F)cc(F)cc1F ZINC000423132647 238223306 /nfs/dbraw/zinc/22/33/06/238223306.db2.gz JQTPPBIYNHEGQX-VIFPVBQESA-N 2 0 260.303 2.711 20 0 CFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423173780 238253147 /nfs/dbraw/zinc/25/31/47/238253147.db2.gz AAJLTMSEBHMILB-KJWHEZOQSA-N 2 0 260.381 2.646 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000423180967 238257098 /nfs/dbraw/zinc/25/70/98/238257098.db2.gz LAONSDGUUWRRGI-BFHYXJOUSA-N 2 0 256.434 2.545 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]CC[C@@H]3C)C2)c1 ZINC000423167848 238248089 /nfs/dbraw/zinc/24/80/89/238248089.db2.gz XIYLOQYMVKXJCX-MBGYTDRXSA-N 2 0 288.435 2.919 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000423167847 238248434 /nfs/dbraw/zinc/24/84/34/238248434.db2.gz XIYLOQYMVKXJCX-IIVZCXTMSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423168295 238249262 /nfs/dbraw/zinc/24/92/62/238249262.db2.gz UFROACQUENKMIY-HZPDHXFCSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423166416 238249300 /nfs/dbraw/zinc/24/93/00/238249300.db2.gz CNQVLRHYMLRVKB-IIAWOOMASA-N 2 0 261.413 2.523 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOCC1CCCC1 ZINC000423170365 238251258 /nfs/dbraw/zinc/25/12/58/238251258.db2.gz XWASANPBVRVOSK-ZDUSSCGKSA-N 2 0 291.439 2.706 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423196104 238269625 /nfs/dbraw/zinc/26/96/25/238269625.db2.gz YWKIMEUSJVJWNM-JLJPHGGASA-N 2 0 291.414 2.512 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423196503 238271942 /nfs/dbraw/zinc/27/19/42/238271942.db2.gz ZWCRZQOJHOKZCH-XQQFMLRXSA-N 2 0 291.414 2.964 20 0 CFADRP CC1(C)CC([NH2+]Cc2cccc3nccn32)CC(C)(C)[NH2+]1 ZINC000179415400 189192736 /nfs/dbraw/zinc/19/27/36/189192736.db2.gz WTAWQIASVZHLEG-UHFFFAOYSA-N 2 0 286.423 2.733 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423207460 238279068 /nfs/dbraw/zinc/27/90/68/238279068.db2.gz CSOCNLIMBRCDEM-KCQAQPDRSA-N 2 0 278.444 2.811 20 0 CFADRP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423189692 238266227 /nfs/dbraw/zinc/26/62/27/238266227.db2.gz QZLLKROEBMBMKL-CXAGYDPISA-N 2 0 292.398 2.635 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1Cl ZINC000423238506 238299945 /nfs/dbraw/zinc/29/99/45/238299945.db2.gz VHCXGXLVDOOBMD-OIKLOGQESA-N 2 0 283.803 2.664 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423228952 238291412 /nfs/dbraw/zinc/29/14/12/238291412.db2.gz GBEZEOFJIIZKBW-QWRGUYRKSA-N 2 0 272.339 2.984 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423218682 238285278 /nfs/dbraw/zinc/28/52/78/238285278.db2.gz VTBGWZYEJONEHJ-GJZGRUSLSA-N 2 0 298.434 2.737 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218091 238285364 /nfs/dbraw/zinc/28/53/64/238285364.db2.gz UUKQUSYMIWLWGR-FUHWJXTLSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423239051 238300837 /nfs/dbraw/zinc/30/08/37/238300837.db2.gz VWQZULKJRCQNJG-IUCAKERBSA-N 2 0 289.192 2.976 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423247333 238305842 /nfs/dbraw/zinc/30/58/42/238305842.db2.gz LESHAQXOMLYEFP-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423248285 238306136 /nfs/dbraw/zinc/30/61/36/238306136.db2.gz MVQUVXPPAKAXPH-CRAIPNDOSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249961 238307736 /nfs/dbraw/zinc/30/77/36/238307736.db2.gz PQFHUXCZWNUWAQ-ZIAGYGMSSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423250696 238307968 /nfs/dbraw/zinc/30/79/68/238307968.db2.gz QVYXCGYQLNXJEY-MNOVXSKESA-N 2 0 254.324 2.615 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249552 238308710 /nfs/dbraw/zinc/30/87/10/238308710.db2.gz OTNSQWLRIWNPDT-SUMWQHHRSA-N 2 0 274.408 2.662 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423254397 238309798 /nfs/dbraw/zinc/30/97/98/238309798.db2.gz XYCXIKIRTYHXNO-SWLSCSKDSA-N 2 0 282.815 2.617 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000155847008 540908598 /nfs/dbraw/zinc/90/85/98/540908598.db2.gz LFLSFMOZUHWQET-MRXNPFEDSA-N 3 0 283.504 2.815 20 0 CFADRP COc1ccc(C[NH+](C)C)cc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155890137 540909521 /nfs/dbraw/zinc/90/95/21/540909521.db2.gz WNUDPTHOFFBNIK-ZFWWWQNUSA-N 2 0 291.439 2.651 20 0 CFADRP C[C@H](NCCC[N@H+](C)C1CCCCC1)c1ncc[nH]1 ZINC000353449772 540911307 /nfs/dbraw/zinc/91/13/07/540911307.db2.gz SMQWUGWWCRIQFA-ZDUSSCGKSA-N 2 0 264.417 2.715 20 0 CFADRP COCCOc1ccc([C@@H](C)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000423259892 238314430 /nfs/dbraw/zinc/31/44/30/238314430.db2.gz FXRMCOAMAHOZQS-GDBMZVCRSA-N 2 0 294.439 2.736 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423261188 238317518 /nfs/dbraw/zinc/31/75/18/238317518.db2.gz RPRLAXAWRQEIIH-ZIAGYGMSSA-N 2 0 292.423 2.744 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423275618 238333342 /nfs/dbraw/zinc/33/33/42/238333342.db2.gz LZRLIKMWDWMHRV-HJWJTTGWSA-N 2 0 276.424 2.870 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388622418 540924328 /nfs/dbraw/zinc/92/43/28/540924328.db2.gz TXOLNSDOAHNYLG-HOCLYGCPSA-N 2 0 262.372 2.695 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c(C)c1 ZINC000666084845 540929881 /nfs/dbraw/zinc/92/98/81/540929881.db2.gz NFXDOMHNIFZRBD-ZIAGYGMSSA-N 2 0 262.397 2.748 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423308899 238363634 /nfs/dbraw/zinc/36/36/34/238363634.db2.gz PDPNQZDXVJXBIF-RKDXNWHRSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423296949 238353756 /nfs/dbraw/zinc/35/37/56/238353756.db2.gz IBIFZZYYQHAUII-WOPDTQHZSA-N 2 0 277.437 2.973 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])ccc1SC ZINC000423299419 238355680 /nfs/dbraw/zinc/35/56/80/238355680.db2.gz QDWAHQBGSIUQRL-MNOVXSKESA-N 2 0 268.426 2.663 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423299704 238357359 /nfs/dbraw/zinc/35/73/59/238357359.db2.gz QLOUISHCIPSHMS-ZIAGYGMSSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423302846 238360093 /nfs/dbraw/zinc/36/00/93/238360093.db2.gz WCQLPZAIXMMHIW-BDAKNGLRSA-N 2 0 289.192 2.834 20 0 CFADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305545 238360813 /nfs/dbraw/zinc/36/08/13/238360813.db2.gz RDMQELGPWVDFNE-HUUCEWRRSA-N 2 0 264.800 2.785 20 0 CFADRP Clc1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CCC2)cc1 ZINC000423326781 238377945 /nfs/dbraw/zinc/37/79/45/238377945.db2.gz RCWGFJKXNIJILW-OAHLLOKOSA-N 2 0 264.800 2.990 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180240309 189245874 /nfs/dbraw/zinc/24/58/74/189245874.db2.gz OCHKWPVCMZWHMO-YOEHRIQHSA-N 2 0 298.434 2.659 20 0 CFADRP COC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423324853 238379106 /nfs/dbraw/zinc/37/91/06/238379106.db2.gz JDTZNMMUIWAHIE-HNNXBMFYSA-N 2 0 298.377 2.632 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423326450 238379109 /nfs/dbraw/zinc/37/91/09/238379109.db2.gz KNPSCBPMRSTQSI-OAHLLOKOSA-N 2 0 292.398 2.801 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423331747 238383171 /nfs/dbraw/zinc/38/31/71/238383171.db2.gz CVMDIFQXGUWORE-GOSISDBHSA-N 2 0 297.377 2.819 20 0 CFADRP c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423334883 238385137 /nfs/dbraw/zinc/38/51/37/238385137.db2.gz GCPVZRMCTNYHBJ-SJORKVTESA-N 2 0 256.393 2.832 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000061125537 540979183 /nfs/dbraw/zinc/97/91/83/540979183.db2.gz HRFSEGVYCVCQQM-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)c1 ZINC000423337088 238389044 /nfs/dbraw/zinc/38/90/44/238389044.db2.gz ACOJJMRDQOMZGF-CYBMUJFWSA-N 2 0 260.381 2.574 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000423319211 238371323 /nfs/dbraw/zinc/37/13/23/238371323.db2.gz DEIANEQHJNDSEQ-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1F ZINC000423320787 238373287 /nfs/dbraw/zinc/37/32/87/238373287.db2.gz DSRFNJAXHFUZRR-SNVBAGLBSA-N 2 0 256.390 2.937 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353969 238401779 /nfs/dbraw/zinc/40/17/79/238401779.db2.gz CIMYCHREHPXSJC-SQWLQELKSA-N 2 0 276.424 2.919 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CC2)cc1 ZINC000423338294 238392031 /nfs/dbraw/zinc/39/20/31/238392031.db2.gz YRWGSTLDXCYICP-IRXDYDNUSA-N 2 0 258.409 2.643 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423454280 238466548 /nfs/dbraw/zinc/46/65/48/238466548.db2.gz CGXKLZWBOQXCFP-GUTXKFCHSA-N 2 0 292.423 2.872 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423485442 238487401 /nfs/dbraw/zinc/48/74/01/238487401.db2.gz RPISJXDJQWLHNO-CZUORRHYSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)(C)C ZINC000182262668 189318274 /nfs/dbraw/zinc/31/82/74/189318274.db2.gz IABJYODVEVCWEI-PBHICJAKSA-N 2 0 290.451 2.777 20 0 CFADRP Oc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000682029312 541055364 /nfs/dbraw/zinc/05/53/64/541055364.db2.gz VENFTHUNJKOSIY-UHFFFAOYSA-N 2 0 288.435 2.669 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000666152654 541065690 /nfs/dbraw/zinc/06/56/90/541065690.db2.gz HXNYRFAQOVXYLL-SNVBAGLBSA-N 2 0 272.377 2.950 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2OC)C1 ZINC000182536400 189327302 /nfs/dbraw/zinc/32/73/02/189327302.db2.gz CCRDGWMOENWBDV-INIZCTEOSA-N 2 0 290.451 2.901 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(OCC[NH+](C)C)c1 ZINC000424334073 238755245 /nfs/dbraw/zinc/75/52/45/238755245.db2.gz YLVBVYGTCCSCMW-BBRMVZONSA-N 2 0 274.408 2.830 20 0 CFADRP CCOCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184755503 189394842 /nfs/dbraw/zinc/39/48/42/189394842.db2.gz XXYVROBOCGUILK-HOTGVXAUSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000666770419 541142465 /nfs/dbraw/zinc/14/24/65/541142465.db2.gz ZLDWMGOLBPPICR-NJAFHUGGSA-N 2 0 287.451 2.554 20 0 CFADRP [NH3+][C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000666787333 541143619 /nfs/dbraw/zinc/14/36/19/541143619.db2.gz GOFSXMLJQSZXGJ-QRVBRYPASA-N 2 0 295.430 2.769 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666805858 541146223 /nfs/dbraw/zinc/14/62/23/541146223.db2.gz OCQJBDQNVXYBSX-UHFFFAOYSA-N 2 0 298.390 2.532 20 0 CFADRP CC1(C[NH2+]Cc2cscc2Cl)CC[NH2+]CC1 ZINC000666839647 541150168 /nfs/dbraw/zinc/15/01/68/541150168.db2.gz OXVOOTNIHBMJML-UHFFFAOYSA-N 2 0 258.818 2.881 20 0 CFADRP CCCn1c(CN[C@@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000666855277 541151699 /nfs/dbraw/zinc/15/16/99/541151699.db2.gz JEYCPNNUCVRZLA-CQSZACIVSA-N 2 0 286.423 2.678 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000666857608 541152568 /nfs/dbraw/zinc/15/25/68/541152568.db2.gz AWWKCFLUVNFPPH-KRWDZBQOSA-N 2 0 298.434 2.627 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000666856395 541152614 /nfs/dbraw/zinc/15/26/14/541152614.db2.gz GKBCMKLIERRPNX-ZDUSSCGKSA-N 2 0 297.240 2.989 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666855471 541153007 /nfs/dbraw/zinc/15/30/07/541153007.db2.gz UNNKRJPEGYVBAB-HNNXBMFYSA-N 2 0 273.355 2.606 20 0 CFADRP FC(F)COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666855552 541153037 /nfs/dbraw/zinc/15/30/37/541153037.db2.gz ZODLATMZFCEXQO-ZDUSSCGKSA-N 2 0 284.350 2.562 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000666857968 541153055 /nfs/dbraw/zinc/15/30/55/541153055.db2.gz RIMVLUIOAMJZIP-SECBINFHSA-N 2 0 278.343 2.999 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(C[NH3+])cc1 ZINC000666864082 541154230 /nfs/dbraw/zinc/15/42/30/541154230.db2.gz UGJWAVFIUHWNQY-XJKSGUPXSA-N 2 0 261.413 2.868 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1SC ZINC000666951998 541165381 /nfs/dbraw/zinc/16/53/81/541165381.db2.gz BGAMSHLDJDVHES-HNNXBMFYSA-N 2 0 292.448 2.649 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952211 541165868 /nfs/dbraw/zinc/16/58/68/541165868.db2.gz KLAUIHUKIKVUEE-OAHLLOKOSA-N 2 0 285.366 2.606 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952433 541165987 /nfs/dbraw/zinc/16/59/87/541165987.db2.gz WMONNHNBKSSBPG-INIZCTEOSA-N 2 0 274.408 2.707 20 0 CFADRP c1ccc(-c2cccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)c2)nc1 ZINC000666952326 541166042 /nfs/dbraw/zinc/16/60/42/541166042.db2.gz QWNTXAFKAOENEN-SFHVURJKSA-N 2 0 293.414 2.980 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952336 541166111 /nfs/dbraw/zinc/16/61/11/541166111.db2.gz RUXDMMZDKZWTPD-YLSAJCSVSA-N 2 0 260.356 2.571 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666955448 541167192 /nfs/dbraw/zinc/16/71/92/541167192.db2.gz LBGUWPGCZJZDFZ-NSHDSACASA-N 2 0 279.453 2.672 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nccc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000666983173 541169939 /nfs/dbraw/zinc/16/99/39/541169939.db2.gz XVEBXNVJAIETQS-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995406 541171212 /nfs/dbraw/zinc/17/12/12/541171212.db2.gz NATGVGNWTFYGLP-QWRGUYRKSA-N 2 0 264.335 2.982 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996801 541172081 /nfs/dbraw/zinc/17/20/81/541172081.db2.gz GHFIUGLANYREFW-MRXNPFEDSA-N 2 0 274.408 2.597 20 0 CFADRP COc1ccc(C)cc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998112 541172297 /nfs/dbraw/zinc/17/22/97/541172297.db2.gz BQUSJLUAWXXUBA-HNNXBMFYSA-N 2 0 274.408 2.768 20 0 CFADRP FC(F)(F)c1cccnc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666903254 541158244 /nfs/dbraw/zinc/15/82/44/541158244.db2.gz GEHCHBPFKYMQSH-LLVKDONJSA-N 2 0 287.329 2.722 20 0 CFADRP C[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000667039976 541178565 /nfs/dbraw/zinc/17/85/65/541178565.db2.gz DMNTYBBORIQUAC-CABCVRRESA-N 2 0 260.425 2.881 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccc(F)cc1 ZINC000427123823 239285176 /nfs/dbraw/zinc/28/51/76/239285176.db2.gz ZQYWBIHCRXBUTK-IVMMDQJWSA-N 2 0 262.372 2.613 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427142663 239287753 /nfs/dbraw/zinc/28/77/53/239287753.db2.gz FLDYDQUFVGONDN-HYVNUMGLSA-N 2 0 258.409 2.549 20 0 CFADRP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667651335 541278873 /nfs/dbraw/zinc/27/88/73/541278873.db2.gz SIYJKKXEELRTKO-KGLIPLIRSA-N 2 0 270.380 2.888 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667787673 541314999 /nfs/dbraw/zinc/31/49/99/541314999.db2.gz XLAAEOZUBFAPNU-CIRFHOKZSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1ncc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)n1C ZINC000667959061 541352538 /nfs/dbraw/zinc/35/25/38/541352538.db2.gz COCICGVITISUCJ-MWLCHTKSSA-N 2 0 275.318 2.891 20 0 CFADRP Cc1ncc(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1C ZINC000667959062 541352579 /nfs/dbraw/zinc/35/25/79/541352579.db2.gz COCICGVITISUCJ-ONGXEEELSA-N 2 0 275.318 2.891 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCC1 ZINC000667987480 541361381 /nfs/dbraw/zinc/36/13/81/541361381.db2.gz IVSYWGLFYAQWDH-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000137727273 541372537 /nfs/dbraw/zinc/37/25/37/541372537.db2.gz IIOFAABRWTYTDP-CYBMUJFWSA-N 2 0 259.397 2.829 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCCO1 ZINC000423500984 299348138 /nfs/dbraw/zinc/34/81/38/299348138.db2.gz CKAXJSBXLLUILX-CWRNSKLLSA-N 2 0 262.397 2.624 20 0 CFADRP COCc1csc(CN(C)CCC[NH+]2CCCC2)c1 ZINC000668100109 541382545 /nfs/dbraw/zinc/38/25/45/541382545.db2.gz CBQDCHQTQRBPSA-UHFFFAOYSA-N 2 0 282.453 2.812 20 0 CFADRP C[C@H](CSCC[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000433025280 240081049 /nfs/dbraw/zinc/08/10/49/240081049.db2.gz JIFRPXFBIOGBDE-CQSZACIVSA-N 2 0 266.454 2.802 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(F)c(F)c1F ZINC000668172465 541392990 /nfs/dbraw/zinc/39/29/90/541392990.db2.gz OJRPPEOBMRQWIY-MFKMUULPSA-N 2 0 286.341 2.876 20 0 CFADRP CCCCCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)C ZINC000433169646 240113791 /nfs/dbraw/zinc/11/37/91/240113791.db2.gz XWWJUQYHBWQTSX-UHFFFAOYSA-N 2 0 297.487 2.617 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000435374449 240305632 /nfs/dbraw/zinc/30/56/32/240305632.db2.gz XJBHQPVETLRYMD-QWHCGFSZSA-N 2 0 288.395 2.537 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435369928 240308322 /nfs/dbraw/zinc/30/83/22/240308322.db2.gz GSVOFJSEXAFDPY-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435382385 240309780 /nfs/dbraw/zinc/30/97/80/240309780.db2.gz ZLNCSOMWUIOJLI-QGZVFWFLSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000434767002 240268805 /nfs/dbraw/zinc/26/88/05/240268805.db2.gz QRWPRLRARQCQAH-XBVQOTNRSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1C ZINC000435122828 240290653 /nfs/dbraw/zinc/29/06/53/240290653.db2.gz CJPMNBZVQZVDQR-STQMWFEESA-N 2 0 288.395 2.584 20 0 CFADRP CC[N@H+](CCOc1cccc(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435623344 240330813 /nfs/dbraw/zinc/33/08/13/240330813.db2.gz CFNLOHMYZPQUHY-MRXNPFEDSA-N 2 0 276.424 2.838 20 0 CFADRP COc1ccc(OCCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435618792 240333239 /nfs/dbraw/zinc/33/32/39/240333239.db2.gz UUJUQRXYDOEDBD-OAHLLOKOSA-N 2 0 292.423 2.538 20 0 CFADRP CCn1ccnc1C[N@H+](CC(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435436352 240314007 /nfs/dbraw/zinc/31/40/07/240314007.db2.gz FOUUKSIRFBAUCT-HNNXBMFYSA-N 2 0 290.455 2.503 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000275675820 193102539 /nfs/dbraw/zinc/10/25/39/193102539.db2.gz DBZUSIIRPSVSCR-OAHLLOKOSA-N 2 0 290.386 2.570 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000443068479 241034582 /nfs/dbraw/zinc/03/45/82/241034582.db2.gz IHIVFWYJGUZILM-LBPRGKRZSA-N 2 0 291.420 2.964 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCNc1ccnc2ccncc21 ZINC000444071549 241111870 /nfs/dbraw/zinc/11/18/70/241111870.db2.gz GCHRZUCCIMZEIS-AWEZNQCLSA-N 2 0 284.407 2.728 20 0 CFADRP CN(CCC[NH+]1CCCCC1)CCc1ccccc1O ZINC000444612164 241156099 /nfs/dbraw/zinc/15/60/99/241156099.db2.gz HPWNQJGCMIJHQJ-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000673756748 541512558 /nfs/dbraw/zinc/51/25/58/541512558.db2.gz JINSZKFMWSRAKW-DOTOQJQBSA-N 2 0 291.439 2.575 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(C)o1 ZINC000447604941 241394318 /nfs/dbraw/zinc/39/43/18/241394318.db2.gz FDSNMEKTBFOXSJ-DZGCQCFKSA-N 2 0 293.455 2.573 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)CCO1 ZINC000449526917 242003980 /nfs/dbraw/zinc/00/39/80/242003980.db2.gz FXXWVYJOYQFDLU-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](C)O ZINC000449536155 242010873 /nfs/dbraw/zinc/01/08/73/242010873.db2.gz FARDFUODWXUEKI-XJKSGUPXSA-N 2 0 268.445 2.533 20 0 CFADRP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449712363 242117971 /nfs/dbraw/zinc/11/79/71/242117971.db2.gz RJMRYAWAIBBXRS-YOEHRIQHSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000449736627 242124341 /nfs/dbraw/zinc/12/43/41/242124341.db2.gz NJGWICJGUWAWPR-BZZMCLGOSA-N 2 0 288.435 2.573 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)C3CCC3)CC2)C1 ZINC000449738941 242126921 /nfs/dbraw/zinc/12/69/21/242126921.db2.gz HBWMMDWRJLBFNL-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(C)(C)C)[C@@H](C)C1 ZINC000674909708 541605358 /nfs/dbraw/zinc/60/53/58/541605358.db2.gz RNMSEFSENSFWLD-LSDHHAIUSA-N 2 0 270.461 2.854 20 0 CFADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324311 242356422 /nfs/dbraw/zinc/35/64/22/242356422.db2.gz OACUEPSCMSZCTL-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450370649 242381450 /nfs/dbraw/zinc/38/14/50/242381450.db2.gz AAVXYRFDHOUBDC-OAHLLOKOSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000450401828 242399236 /nfs/dbraw/zinc/39/92/36/242399236.db2.gz JPANLYOKJHDWBR-ZACQAIPSSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCSCC1 ZINC000421380046 296114209 /nfs/dbraw/zinc/11/42/09/296114209.db2.gz VGHJSDVYMYUSGC-LRVUVFPRSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCCOC1 ZINC000356834103 296121631 /nfs/dbraw/zinc/12/16/31/296121631.db2.gz FWRQBXJSISRVFY-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnccn1 ZINC000158175787 296121657 /nfs/dbraw/zinc/12/16/57/296121657.db2.gz DSRVGFFYNMCMLT-OAHLLOKOSA-N 2 0 276.428 2.639 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2nc3ccccc3s2)CC[N@@H+]1C ZINC000675732706 541686072 /nfs/dbraw/zinc/68/60/72/541686072.db2.gz DVTHPCPXYWUOJN-QWHCGFSZSA-N 2 0 289.448 2.911 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC[C@H]1C ZINC000675746645 541687500 /nfs/dbraw/zinc/68/75/00/541687500.db2.gz PAAFATHRNBFLKV-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675769611 541691122 /nfs/dbraw/zinc/69/11/22/541691122.db2.gz BZNAOVKFLTZCOE-VVLHAWIVSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675727772 541685203 /nfs/dbraw/zinc/68/52/03/541685203.db2.gz YKIJTFIDOCSCQX-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)c2nccn21 ZINC000453057304 243381329 /nfs/dbraw/zinc/38/13/29/243381329.db2.gz HXAMHMRTRJLFAE-CVEARBPZSA-N 2 0 290.455 2.991 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000453064557 243386197 /nfs/dbraw/zinc/38/61/97/243386197.db2.gz WVJSURPRFMCFLB-OAHLLOKOSA-N 2 0 277.456 2.970 20 0 CFADRP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1C ZINC000675885588 541702577 /nfs/dbraw/zinc/70/25/77/541702577.db2.gz ZLLWYKSECPRDCR-CALCHBBNSA-N 2 0 272.436 2.880 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000453084478 243393957 /nfs/dbraw/zinc/39/39/57/243393957.db2.gz MAFXCRRHHPCISI-INIZCTEOSA-N 2 0 298.434 2.519 20 0 CFADRP C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000675831885 541699100 /nfs/dbraw/zinc/69/91/00/541699100.db2.gz SFFDLUMIKGJXGP-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000447601662 296126045 /nfs/dbraw/zinc/12/60/45/296126045.db2.gz PZPOMADNPMVSOO-OAHLLOKOSA-N 2 0 278.440 2.521 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000675897746 541705411 /nfs/dbraw/zinc/70/54/11/541705411.db2.gz YLLOBWVWUFWMJB-AEFFLSMTSA-N 2 0 287.451 2.669 20 0 CFADRP C[C@@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422706424 296128163 /nfs/dbraw/zinc/12/81/63/296128163.db2.gz DZKQFZHIRGPQFE-COXVUDFISA-N 2 0 293.430 2.549 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000675925306 541709984 /nfs/dbraw/zinc/70/99/84/541709984.db2.gz LNIXOUMESNPZAV-CJNGLKHVSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423335717 296130238 /nfs/dbraw/zinc/13/02/38/296130238.db2.gz RWVGJPRKRAHKNC-DYVFJYSZSA-N 2 0 293.430 2.932 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1N(C)C ZINC000423544708 299395216 /nfs/dbraw/zinc/39/52/16/299395216.db2.gz OTFHDLVFCSIEGN-XUWVNRHRSA-N 2 0 287.451 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2n1C ZINC000423538057 299395712 /nfs/dbraw/zinc/39/57/12/299395712.db2.gz FDBDVIZQJOLIJO-BYNSBNAKSA-N 2 0 298.434 2.612 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497786 189785213 /nfs/dbraw/zinc/78/52/13/189785213.db2.gz NFTKZBQMHVWHTR-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422918665 296148000 /nfs/dbraw/zinc/14/80/00/296148000.db2.gz IASUMPCCKMBDOP-VGBQHSPPSA-N 2 0 262.397 2.655 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc(C)sc1C ZINC000676841174 541799370 /nfs/dbraw/zinc/79/93/70/541799370.db2.gz FBILHUBIYDILHN-BXUZGUMPSA-N 2 0 299.484 2.767 20 0 CFADRP C(CC1CC[NH+]([C@@H]2CCCOC2)CC1)C[NH+]1CCCC1 ZINC000676901354 541804414 /nfs/dbraw/zinc/80/44/14/541804414.db2.gz SEOMVKJDSFDUDH-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000459488568 245195521 /nfs/dbraw/zinc/19/55/21/245195521.db2.gz WYXWHMFLWFDWLW-MRXNPFEDSA-N 2 0 298.858 2.829 20 0 CFADRP C[N@H+](CCc1cccc(Cl)c1)C[C@H]1CC[NH+](C)C1 ZINC000459501973 245202788 /nfs/dbraw/zinc/20/27/88/245202788.db2.gz FQMZEFXBCPSLAH-CQSZACIVSA-N 2 0 266.816 2.766 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677130271 541825263 /nfs/dbraw/zinc/82/52/63/541825263.db2.gz SZYGHSUPOGPYMK-HNNXBMFYSA-N 2 0 268.351 2.884 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459726988 245287163 /nfs/dbraw/zinc/28/71/63/245287163.db2.gz GWNWBSAQDQZYCA-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000459743177 245297878 /nfs/dbraw/zinc/29/78/78/245297878.db2.gz WUHGSZVOQJCOST-HNNXBMFYSA-N 2 0 298.434 2.898 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2Cc3cccc(OC)c3C2)CC1 ZINC000459709936 245281108 /nfs/dbraw/zinc/28/11/08/245281108.db2.gz UGCFZVSNCJSZQR-INIZCTEOSA-N 2 0 288.435 2.626 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459775908 245318201 /nfs/dbraw/zinc/31/82/01/245318201.db2.gz JOULJIXHLYZXBX-LSDHHAIUSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)CC1CCOCC1 ZINC000459783469 245323780 /nfs/dbraw/zinc/32/37/80/245323780.db2.gz NHIYPNANTWUEAK-NVXWUHKLSA-N 2 0 282.472 2.761 20 0 CFADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1C ZINC000459792498 245328951 /nfs/dbraw/zinc/32/89/51/245328951.db2.gz SDWIARFYEPGYAL-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cccc(CC[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459797473 245333479 /nfs/dbraw/zinc/33/34/79/245333479.db2.gz WRYVTAHWOGGWDZ-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000019959260 372216454 /nfs/dbraw/zinc/21/64/54/372216454.db2.gz RGKNRDLACJAGNG-INIZCTEOSA-N 2 0 262.397 2.614 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000020128458 372234184 /nfs/dbraw/zinc/23/41/84/372234184.db2.gz HETAJSVFGUTCDH-SFHVURJKSA-N 2 0 289.467 2.673 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000020200444 372234326 /nfs/dbraw/zinc/23/43/26/372234326.db2.gz CUDYWTLBOYXONU-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP CCCC1CCC([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000020200494 372235258 /nfs/dbraw/zinc/23/52/58/372235258.db2.gz LNTDVAQHULOJQX-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994989 372423962 /nfs/dbraw/zinc/42/39/62/372423962.db2.gz MUMXHAHSILORML-INIZCTEOSA-N 2 0 278.827 2.958 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000035015745 372528723 /nfs/dbraw/zinc/52/87/23/372528723.db2.gz GEJBGMVMJNVURE-KRWDZBQOSA-N 2 0 258.409 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000037644143 372680622 /nfs/dbraw/zinc/68/06/22/372680622.db2.gz BEDKIEAJRUWOFF-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000037649136 372685353 /nfs/dbraw/zinc/68/53/53/372685353.db2.gz NBZNPBRKWDMNSU-OLZOCXBDSA-N 2 0 288.391 2.550 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649008 372685462 /nfs/dbraw/zinc/68/54/62/372685462.db2.gz PERAAGXAVNCYPO-KGLIPLIRSA-N 2 0 262.397 2.675 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000037680445 372689002 /nfs/dbraw/zinc/68/90/02/372689002.db2.gz AYTCGJOWFYYLJV-XJKCOSOUSA-N 2 0 262.397 2.514 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccccc1Br ZINC000037714823 372692792 /nfs/dbraw/zinc/69/27/92/372692792.db2.gz RJRJSIODOZMSLR-JTQLQIEISA-N 2 0 271.202 2.839 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000571327367 383684625 /nfs/dbraw/zinc/68/46/25/383684625.db2.gz WKTYQPBQFBECKV-GOEBONIOSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000333273744 205173246 /nfs/dbraw/zinc/17/32/46/205173246.db2.gz KZPVZZOKHOCFID-CABCVRRESA-N 2 0 273.424 2.887 20 0 CFADRP C[N@@H+](Cc1ccc(Br)cc1)CC1CC[NH2+]CC1 ZINC000042440142 372924202 /nfs/dbraw/zinc/92/42/02/372924202.db2.gz VOQBLUYPSJVZCQ-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC000042440722 372924351 /nfs/dbraw/zinc/92/43/51/372924351.db2.gz KVFMUWMMIXNKCL-CYBMUJFWSA-N 2 0 297.240 2.881 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045663325 373026178 /nfs/dbraw/zinc/02/61/78/373026178.db2.gz IOCCECQHUQFUBD-CQSZACIVSA-N 2 0 264.413 2.996 20 0 CFADRP CCOc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045598373 373023743 /nfs/dbraw/zinc/02/37/43/373023743.db2.gz FLXQNDLDKLZQOA-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CCC[NH+]1CCCC1 ZINC000049332729 373287963 /nfs/dbraw/zinc/28/79/63/373287963.db2.gz NYLVQWIKNBOYHT-CYBMUJFWSA-N 2 0 252.427 2.755 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000049515147 373306724 /nfs/dbraw/zinc/30/67/24/373306724.db2.gz DXXRUUIOMHIPEK-JTQLQIEISA-N 2 0 283.213 2.852 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000049687872 373313279 /nfs/dbraw/zinc/31/32/79/373313279.db2.gz NQFRGJSDVDEJTM-CYBMUJFWSA-N 2 0 252.427 2.796 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000051919527 373417982 /nfs/dbraw/zinc/41/79/82/373417982.db2.gz OSUXXTIADMWRDD-CYBMUJFWSA-N 2 0 252.427 2.960 20 0 CFADRP CC(C)(C)OC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000055058997 373536736 /nfs/dbraw/zinc/53/67/36/373536736.db2.gz ABDCLSJAYCMNRZ-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000252875484 220230004 /nfs/dbraw/zinc/23/00/04/220230004.db2.gz VQRFFRFKGMUUJG-AEGPPILISA-N 2 0 264.438 2.924 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000062052509 373744401 /nfs/dbraw/zinc/74/44/01/373744401.db2.gz LXMBTDMKEWPRGL-AWEZNQCLSA-N 2 0 264.388 2.832 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000063159117 373789009 /nfs/dbraw/zinc/78/90/09/373789009.db2.gz YQJBDRKGNJPSGB-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000063165845 373789109 /nfs/dbraw/zinc/78/91/09/373789109.db2.gz WWHFFKGLYCPKGB-UHFFFAOYSA-N 2 0 285.391 2.773 20 0 CFADRP Cc1cccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063200043 373797119 /nfs/dbraw/zinc/79/71/19/373797119.db2.gz AZWHOXOAXZGZHZ-GOSISDBHSA-N 2 0 288.435 2.838 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000066057131 373910042 /nfs/dbraw/zinc/91/00/42/373910042.db2.gz DTLPQKTWMSMECE-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000070148540 374127922 /nfs/dbraw/zinc/12/79/22/374127922.db2.gz DWCTUKBUALUECZ-ZDUSSCGKSA-N 2 0 284.350 2.991 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070170643 374135516 /nfs/dbraw/zinc/13/55/16/374135516.db2.gz IJRMGABYQLTBCF-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000070170598 374136039 /nfs/dbraw/zinc/13/60/39/374136039.db2.gz QPXGXKFCJRWXIN-LBPRGKRZSA-N 2 0 291.420 2.964 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000070174788 374141505 /nfs/dbraw/zinc/14/15/05/374141505.db2.gz VBOKEDNIOBNOCI-OCCSQVGLSA-N 2 0 287.382 2.933 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000070174433 374141662 /nfs/dbraw/zinc/14/16/62/374141662.db2.gz LGGABZWIFUDTKV-QWHCGFSZSA-N 2 0 282.815 2.778 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000070189929 374143204 /nfs/dbraw/zinc/14/32/04/374143204.db2.gz UFOVWFRLSHWHMY-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000070188797 374143221 /nfs/dbraw/zinc/14/32/21/374143221.db2.gz IKHVPHBGKYYIQW-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000070189717 374143582 /nfs/dbraw/zinc/14/35/82/374143582.db2.gz VPWBLMTZZGNTBF-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccoc2C)[C@@H](C)C1 ZINC000490418392 246008297 /nfs/dbraw/zinc/00/82/97/246008297.db2.gz DVLRBSCPYKGXBC-WFASDCNBSA-N 2 0 250.386 2.750 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000070600405 374199456 /nfs/dbraw/zinc/19/94/56/374199456.db2.gz XYPVBFAFLCBBQZ-GFCCVEGCSA-N 2 0 258.818 2.881 20 0 CFADRP C[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)C[NH+](C)C ZINC000491597277 246085694 /nfs/dbraw/zinc/08/56/94/246085694.db2.gz SWRYBSISPMPDGH-QMAVJUDZSA-N 2 0 268.351 2.765 20 0 CFADRP C[C@@H](C[NH2+]C/C=C/c1ccc(F)cc1F)C[NH+](C)C ZINC000491557198 246079789 /nfs/dbraw/zinc/07/97/89/246079789.db2.gz BQEGBTGMRBEOHB-ITKZLYELSA-N 2 0 268.351 2.765 20 0 CFADRP CC[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000075682910 374499180 /nfs/dbraw/zinc/49/91/80/374499180.db2.gz JDRNDWADNZAHIE-BDVYOWHSSA-N 2 0 282.472 2.732 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000089145351 374872647 /nfs/dbraw/zinc/87/26/47/374872647.db2.gz CUXZUUDWDAXJNC-DZGCQCFKSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089145677 374873131 /nfs/dbraw/zinc/87/31/31/374873131.db2.gz CPMBRFSTKQSSKQ-MRVWCRGKSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000089139934 374873623 /nfs/dbraw/zinc/87/36/23/374873623.db2.gz NPANUYCOYWZMGS-CZUORRHYSA-N 2 0 271.408 2.818 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089145044 374873692 /nfs/dbraw/zinc/87/36/92/374873692.db2.gz NFQFSHHTUWFTJX-IMJJTQAJSA-N 2 0 276.424 2.733 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1C ZINC000090720627 375026623 /nfs/dbraw/zinc/02/66/23/375026623.db2.gz UDVHLHRTDFYFMB-BBRMVZONSA-N 2 0 284.407 2.649 20 0 CFADRP c1ccc2c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000091672657 375056866 /nfs/dbraw/zinc/05/68/66/375056866.db2.gz WDQNSVTZLSHGFT-ZIAGYGMSSA-N 2 0 283.375 2.510 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+](C)C)CC2 ZINC000092837064 375164457 /nfs/dbraw/zinc/16/44/57/375164457.db2.gz QGQRXZMMODLODJ-INIZCTEOSA-N 2 0 262.397 2.614 20 0 CFADRP c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451333 375243806 /nfs/dbraw/zinc/24/38/06/375243806.db2.gz DGDMECIZIRIWRG-HZSPNIEDSA-N 2 0 250.411 2.758 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450867 375244145 /nfs/dbraw/zinc/24/41/45/375244145.db2.gz MWDDIGMOJBZCQM-YESZJQIVSA-N 2 0 274.408 2.706 20 0 CFADRP Cc1cccnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000093159258 375193239 /nfs/dbraw/zinc/19/32/39/375193239.db2.gz NNLQLYSKTAMFFV-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000093874505 375327515 /nfs/dbraw/zinc/32/75/15/375327515.db2.gz PLHMVDXOJXRMJS-UHFFFAOYSA-N 2 0 270.804 2.636 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901299 375389778 /nfs/dbraw/zinc/38/97/78/375389778.db2.gz ACCVLDVICJGPBV-QGZVFWFLSA-N 2 0 260.425 2.926 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C1CCC([NH3+])CC1 ZINC000094950610 375396241 /nfs/dbraw/zinc/39/62/41/375396241.db2.gz DOTPFYRDUHVPFN-UHFFFAOYSA-N 2 0 250.361 2.536 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070652 375339489 /nfs/dbraw/zinc/33/94/89/375339489.db2.gz YASOFQHTNQIAEE-AWEZNQCLSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000094827297 375385507 /nfs/dbraw/zinc/38/55/07/375385507.db2.gz NZIRRMCIONDKGT-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP CC[C@@H](CNCC1=Cc2ccccc2OC1)[NH+]1CCCC1 ZINC000102421598 375675448 /nfs/dbraw/zinc/67/54/48/375675448.db2.gz XZMQHVXNCOGIRG-KRWDZBQOSA-N 2 0 286.419 2.926 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678421689 542023179 /nfs/dbraw/zinc/02/31/79/542023179.db2.gz HYCDRSZBIBKWNC-DZGCQCFKSA-N 2 0 261.413 2.691 20 0 CFADRP C([C@@H]1CCCO1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229459 375724023 /nfs/dbraw/zinc/72/40/23/375724023.db2.gz GFOMDXNMKCCVHF-SJORKVTESA-N 2 0 280.456 2.753 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513655155 247224253 /nfs/dbraw/zinc/22/42/53/247224253.db2.gz LPHQAXZIDHQOCP-BBWFWOEESA-N 2 0 288.435 2.836 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000678609850 542054254 /nfs/dbraw/zinc/05/42/54/542054254.db2.gz YWWNKIBVYRZUEK-IMJJTQAJSA-N 2 0 282.472 2.900 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCC2)[C@@H](C)C1 ZINC000678598809 542049260 /nfs/dbraw/zinc/04/92/60/542049260.db2.gz TYXFMGSZFNHMLL-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000104095480 375766457 /nfs/dbraw/zinc/76/64/57/375766457.db2.gz JNJGXKKVANUSDT-INIZCTEOSA-N 2 0 276.424 2.859 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000678606135 542052693 /nfs/dbraw/zinc/05/26/93/542052693.db2.gz HBIPJPOSHNHXCS-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]([NH2+]C1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000678609211 542054491 /nfs/dbraw/zinc/05/44/91/542054491.db2.gz ISNMASCKMXAPEC-LLVKDONJSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000111695639 375863304 /nfs/dbraw/zinc/86/33/04/375863304.db2.gz INYJVDRCUJKSLV-ZFWWWQNUSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000111612051 375857682 /nfs/dbraw/zinc/85/76/82/375857682.db2.gz BUXMWJGDNQVUKB-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000678773767 542067588 /nfs/dbraw/zinc/06/75/88/542067588.db2.gz SRSQDFUPGNWGGB-YJBOKZPZSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000113209076 375997993 /nfs/dbraw/zinc/99/79/93/375997993.db2.gz KMHFZLAYVKOMON-NSHDSACASA-N 2 0 275.421 2.856 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000114479209 376068756 /nfs/dbraw/zinc/06/87/56/376068756.db2.gz HEUNRACDFRFNLA-RHSMWYFYSA-N 2 0 258.409 2.948 20 0 CFADRP COCCCCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000116879404 376211363 /nfs/dbraw/zinc/21/13/63/376211363.db2.gz DQEPFNHTXREWRP-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000118953970 376325728 /nfs/dbraw/zinc/32/57/28/376325728.db2.gz CALVZAVOFOAVQR-NJAFHUGGSA-N 2 0 289.467 2.670 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000119137385 376360126 /nfs/dbraw/zinc/36/01/26/376360126.db2.gz KBRGBCWIROOHMI-MSOLQXFVSA-N 2 0 288.435 2.666 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3c(s2)CCC3)C[C@H]1C ZINC000678833030 542080575 /nfs/dbraw/zinc/08/05/75/542080575.db2.gz QTRCMKOXSQOULQ-OLZOCXBDSA-N 2 0 293.480 2.936 20 0 CFADRP C1CC1[NH+]1CCC(NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000119718657 376458819 /nfs/dbraw/zinc/45/88/19/376458819.db2.gz FSZCGZDNKQZPJB-UHFFFAOYSA-N 2 0 291.483 2.610 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000119932560 376508454 /nfs/dbraw/zinc/50/84/54/376508454.db2.gz WZVUTJBRQPCOFW-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP c1cnn([C@@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000119940830 376509956 /nfs/dbraw/zinc/50/99/56/376509956.db2.gz MYJOAPLZHJOOHZ-IAGOWNOFSA-N 2 0 290.455 2.832 20 0 CFADRP c1coc(CN(CCn2ccnc2)Cc2ccco2)c1 ZINC000119997749 376524433 /nfs/dbraw/zinc/52/44/33/376524433.db2.gz ZZWMVDNYSNXQAI-UHFFFAOYSA-N 2 0 271.320 2.772 20 0 CFADRP C[C@@H]1C[C@H](NCCC[NH+](C)C2CCCCC2)C[N@@H+]1C1CC1 ZINC000120779037 376692633 /nfs/dbraw/zinc/69/26/33/376692633.db2.gz LTEVLQIUQVBXMB-CVEARBPZSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000678992639 542106703 /nfs/dbraw/zinc/10/67/03/542106703.db2.gz MSEKDPLGUZCMLS-QWHCGFSZSA-N 2 0 293.480 2.936 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(CO)c1 ZINC000121323482 376805650 /nfs/dbraw/zinc/80/56/50/376805650.db2.gz JWKSGTXXBXRKHR-LSDHHAIUSA-N 2 0 276.424 2.561 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000121323940 376805958 /nfs/dbraw/zinc/80/59/58/376805958.db2.gz RNDWFRQCPZAYBJ-TWMKSMIVSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000121687668 376884130 /nfs/dbraw/zinc/88/41/30/376884130.db2.gz PXXXXWKQLXRNAH-HNNXBMFYSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cccc(F)c2)CCN1C ZINC000123751805 376974275 /nfs/dbraw/zinc/97/42/75/376974275.db2.gz MNUHCCIQBDVADO-HIFRSBDPSA-N 2 0 280.387 2.619 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358930533 284608647 /nfs/dbraw/zinc/60/86/47/284608647.db2.gz IEHNMQQGUQSGMU-GOEBONIOSA-N 2 0 292.471 2.898 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Br)cc1 ZINC000122357590 376926086 /nfs/dbraw/zinc/92/60/86/376926086.db2.gz MEUBLLVGJYELIQ-JQWIXIFHSA-N 2 0 283.213 2.618 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1(C)C ZINC000124314352 377038105 /nfs/dbraw/zinc/03/81/05/377038105.db2.gz RRCBMTHRKOSLOL-SOUVJXGZSA-N 2 0 268.445 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356825770 284609361 /nfs/dbraw/zinc/60/93/61/284609361.db2.gz ASFJZSKZPLZNNJ-ARFHVFGLSA-N 2 0 270.461 2.902 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCF)C2)CC1 ZINC000125138270 377121570 /nfs/dbraw/zinc/12/15/70/377121570.db2.gz VBFCZJUKZVEGDI-OAHLLOKOSA-N 2 0 256.409 2.790 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124624057 377071088 /nfs/dbraw/zinc/07/10/88/377071088.db2.gz OLFDDSYBOSLWTQ-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP COCC[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000124679983 377076729 /nfs/dbraw/zinc/07/67/29/377076729.db2.gz RGQSGVWLFNJEIX-CVEARBPZSA-N 2 0 278.440 2.912 20 0 CFADRP CN(CCC[NH+]1CCCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000125275445 377135549 /nfs/dbraw/zinc/13/55/49/377135549.db2.gz GWMQUSJCPFIRBR-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCCn1ccnc1C ZINC000125526063 377165721 /nfs/dbraw/zinc/16/57/21/377165721.db2.gz WXCIEZXZZYSKLE-JKSUJKDBSA-N 2 0 279.428 2.597 20 0 CFADRP COCC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)C(C)C ZINC000126444612 377227817 /nfs/dbraw/zinc/22/78/17/377227817.db2.gz UMTLLZRGXKDEHY-WTXIUTQJSA-N 2 0 268.445 2.652 20 0 CFADRP c1ccc2c(c1)CCN2CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127791533 377301921 /nfs/dbraw/zinc/30/19/21/377301921.db2.gz OOBFRBZCDFUESX-QZTJIDSGSA-N 2 0 299.462 2.656 20 0 CFADRP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)COC1CCCCC1 ZINC000127786995 377302162 /nfs/dbraw/zinc/30/21/62/377302162.db2.gz ZSVLQTLQNPXEKF-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129247209 377403169 /nfs/dbraw/zinc/40/31/69/377403169.db2.gz JCFIBXQMKZDEKU-LSDHHAIUSA-N 2 0 292.398 2.541 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000361756515 284639818 /nfs/dbraw/zinc/63/98/18/284639818.db2.gz NKBNKWRKTODMKK-ARFHVFGLSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H](CCCCO)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000679330403 542169238 /nfs/dbraw/zinc/16/92/38/542169238.db2.gz JCHWSFNOFUBKRG-MRXNPFEDSA-N 2 0 290.451 2.923 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679343234 542173133 /nfs/dbraw/zinc/17/31/33/542173133.db2.gz XUAZNSTWPSUDIK-XHSDSOJGSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1F ZINC000679360533 542179697 /nfs/dbraw/zinc/17/96/97/542179697.db2.gz VDNKRLDMBNEWRB-RHSMWYFYSA-N 2 0 294.414 2.807 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(O)cc2)CC1 ZINC000679392637 542185702 /nfs/dbraw/zinc/18/57/02/542185702.db2.gz COZLPFYHRWNFOP-UHFFFAOYSA-N 2 0 276.424 2.994 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000679392789 542186009 /nfs/dbraw/zinc/18/60/09/542186009.db2.gz QFLPVQVJSGTHPG-QAPCUYQASA-N 2 0 286.419 2.841 20 0 CFADRP Oc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000679399350 542187682 /nfs/dbraw/zinc/18/76/82/542187682.db2.gz XRSRKSMTWYJARR-UHFFFAOYSA-N 2 0 297.402 2.793 20 0 CFADRP C[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000265354483 190176947 /nfs/dbraw/zinc/17/69/47/190176947.db2.gz USBSIOBZEROPOH-MRXNPFEDSA-N 2 0 290.451 2.569 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529531554 383721811 /nfs/dbraw/zinc/72/18/11/383721811.db2.gz GECOVJUFPYULHG-NSHDSACASA-N 2 0 260.372 2.883 20 0 CFADRP Cc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000130944139 377635614 /nfs/dbraw/zinc/63/56/14/377635614.db2.gz QJSSBCTYBZZNCL-HNNXBMFYSA-N 2 0 258.409 2.877 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000130956277 377637838 /nfs/dbraw/zinc/63/78/38/377637838.db2.gz VIDQWXVIOVGFIG-CYBMUJFWSA-N 2 0 258.365 2.864 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CC[N@@H+]1C ZINC000131549412 377727690 /nfs/dbraw/zinc/72/76/90/377727690.db2.gz KMKNOQZQMPEHNO-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCC2CC2)c2ccccc21 ZINC000131942805 377781789 /nfs/dbraw/zinc/78/17/89/377781789.db2.gz XCSGFNYYUJTTBT-CVEARBPZSA-N 2 0 260.381 2.538 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCF)C1 ZINC000131671207 377744283 /nfs/dbraw/zinc/74/42/83/377744283.db2.gz OELPQHIMNGOQRY-LSDHHAIUSA-N 2 0 256.409 2.932 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131747833 377756121 /nfs/dbraw/zinc/75/61/21/377756121.db2.gz XRZHUFUZHYHRNH-WCQYABFASA-N 2 0 250.411 2.578 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000132111069 377804815 /nfs/dbraw/zinc/80/48/15/377804815.db2.gz MEPBNFZKGPKTIT-XJKSGUPXSA-N 2 0 262.397 2.736 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134885260 378057959 /nfs/dbraw/zinc/05/79/59/378057959.db2.gz GJUQMVXQDOIYFP-UHFFFAOYSA-N 2 0 264.266 2.673 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000135264669 378107414 /nfs/dbraw/zinc/10/74/14/378107414.db2.gz RNSYXLKZFBYCQY-INIZCTEOSA-N 2 0 282.403 2.900 20 0 CFADRP COC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600514 378204746 /nfs/dbraw/zinc/20/47/46/378204746.db2.gz WGIJPDYIYIQBQQ-UXLLHSPISA-N 2 0 276.424 2.522 20 0 CFADRP C[C@H]1CN(Cc2cccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000135907420 378169673 /nfs/dbraw/zinc/16/96/73/378169673.db2.gz KBNQLJKCHKNMDA-CABZTGNLSA-N 2 0 256.752 2.648 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000136135020 378181563 /nfs/dbraw/zinc/18/15/63/378181563.db2.gz VJVDHZLWNCCKOE-MRVPVSSYSA-N 2 0 264.266 2.671 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150971973 378283627 /nfs/dbraw/zinc/28/36/27/378283627.db2.gz XZTWACQZJZBQGY-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP C[N@H+](CCCF)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000151170121 378303548 /nfs/dbraw/zinc/30/35/48/378303548.db2.gz QKNXEEGLENRWID-INIZCTEOSA-N 2 0 264.388 2.800 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+](C)C ZINC000151934404 378374316 /nfs/dbraw/zinc/37/43/16/378374316.db2.gz MPXDZOOFVANATB-INIZCTEOSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000153244408 378482283 /nfs/dbraw/zinc/48/22/83/378482283.db2.gz KPOJUUCELLMGDH-PQUAAJSLSA-N 2 0 294.483 2.876 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000422776999 295296438 /nfs/dbraw/zinc/29/64/38/295296438.db2.gz BNYOVCVJQTXMGK-CVEARBPZSA-N 2 0 268.445 2.975 20 0 CFADRP Cc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000153833786 378515509 /nfs/dbraw/zinc/51/55/09/378515509.db2.gz BGTHLFJXAMNHIF-INIZCTEOSA-N 2 0 261.413 2.696 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)cn2)C1 ZINC000154263017 378552008 /nfs/dbraw/zinc/55/20/08/378552008.db2.gz IBJYMVDDWQWNBU-HNNXBMFYSA-N 2 0 261.413 2.554 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)s2)[C@H](C)C1 ZINC000266128189 190232797 /nfs/dbraw/zinc/23/27/97/190232797.db2.gz QKPDQYHRGDOMRP-RISCZKNCSA-N 2 0 252.427 2.876 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N(C)C)[C@H](C)C1 ZINC000266147521 190234242 /nfs/dbraw/zinc/23/42/42/190234242.db2.gz VZTPYWQMGIZCTF-ZBFHGGJFSA-N 2 0 275.440 2.573 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000158577575 378669102 /nfs/dbraw/zinc/66/91/02/378669102.db2.gz SWNAKDAVXIFKTE-XWTMOSNGSA-N 3 0 295.515 2.674 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@@H+]1C ZINC000158563002 378669363 /nfs/dbraw/zinc/66/93/63/378669363.db2.gz ACDZZCIGLYUFTE-WNRNVDISSA-N 3 0 295.515 2.817 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000158967258 378678227 /nfs/dbraw/zinc/67/82/27/378678227.db2.gz VIHNYJNNJFVFBS-CKEIUWERSA-N 2 0 276.424 2.556 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000331364425 378678547 /nfs/dbraw/zinc/67/85/47/378678547.db2.gz BVEFBJPCROONGQ-GMXVVIOVSA-N 2 0 265.426 2.546 20 0 CFADRP COC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159027645 378682446 /nfs/dbraw/zinc/68/24/46/378682446.db2.gz PTPVIHYSMNVJQF-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157084842 378649708 /nfs/dbraw/zinc/64/97/08/378649708.db2.gz UQKKOBPMNGXNJY-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000332248058 378740174 /nfs/dbraw/zinc/74/01/74/378740174.db2.gz BJZCOAHVXPIVDX-IAOVAPTHSA-N 2 0 273.424 2.753 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1(O)CCCC1 ZINC000331594598 378712306 /nfs/dbraw/zinc/71/23/06/378712306.db2.gz TYBUANZDDLWFHI-KBPBESRZSA-N 2 0 268.445 2.567 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000161734586 378869595 /nfs/dbraw/zinc/86/95/95/378869595.db2.gz XKUZBXKBSWELDL-MSOLQXFVSA-N 2 0 293.499 2.811 20 0 CFADRP c1cc(CN(CCC[NH+]2CCCCC2)C2CC2)ccn1 ZINC000162109940 378894523 /nfs/dbraw/zinc/89/45/23/378894523.db2.gz DISVVMIKLVNESU-UHFFFAOYSA-N 2 0 273.424 2.922 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000333899588 378875858 /nfs/dbraw/zinc/87/58/58/378875858.db2.gz ZNRPQFIHEMAIBR-DVOMOZLQSA-N 2 0 259.397 2.650 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000162863923 378939337 /nfs/dbraw/zinc/93/93/37/378939337.db2.gz FJEKRXOBWAJAFI-ZNMIVQPWSA-N 2 0 280.412 2.820 20 0 CFADRP CC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162938783 378944528 /nfs/dbraw/zinc/94/45/28/378944528.db2.gz XQCFHPFOKGJSQY-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000163396139 378969071 /nfs/dbraw/zinc/96/90/71/378969071.db2.gz UEERETGLDYSLDS-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000163387365 378970011 /nfs/dbraw/zinc/97/00/11/378970011.db2.gz MIJAMXHOISCGDA-CZUORRHYSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000163452227 378972481 /nfs/dbraw/zinc/97/24/81/378972481.db2.gz FBQJJDQNKBUQPK-GUYCJALGSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370656243 296285988 /nfs/dbraw/zinc/28/59/88/296285988.db2.gz BVXKNEGZJJSOLO-HLLBOEOZSA-N 2 0 293.499 2.569 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000335280730 379021367 /nfs/dbraw/zinc/02/13/67/379021367.db2.gz XEYDBTGAIMXLEV-SWKMLJDHSA-N 2 0 284.325 2.709 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(F)c1F)CC[NH2+]CC2 ZINC000335281798 379022846 /nfs/dbraw/zinc/02/28/46/379022846.db2.gz YKAUYYJZOFKZAS-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000166014580 379046146 /nfs/dbraw/zinc/04/61/46/379046146.db2.gz RMPYTMSGPVLXBZ-SOUVJXGZSA-N 2 0 270.461 2.758 20 0 CFADRP CO[C@H]1CCN(Cc2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000167146233 379068943 /nfs/dbraw/zinc/06/89/43/379068943.db2.gz DMEWYYQYHBCWPY-SJORKVTESA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000335310976 379061437 /nfs/dbraw/zinc/06/14/37/379061437.db2.gz HPYKFOGOHANCJH-RHSMWYFYSA-N 2 0 274.408 2.784 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000335310978 379061568 /nfs/dbraw/zinc/06/15/68/379061568.db2.gz HPYKFOGOHANCJH-YOEHRIQHSA-N 2 0 274.408 2.784 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000334316029 379081130 /nfs/dbraw/zinc/08/11/30/379081130.db2.gz RTIZMODGKVQFPV-WDEREUQCSA-N 2 0 262.328 2.741 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cncnc1 ZINC000289454116 197354560 /nfs/dbraw/zinc/35/45/60/197354560.db2.gz NPTJJIWOFFYANW-UHFFFAOYSA-N 2 0 284.407 2.560 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000278846320 194180347 /nfs/dbraw/zinc/18/03/47/194180347.db2.gz VHBNSHIIXIVBGR-DZGCQCFKSA-N 2 0 282.428 2.904 20 0 CFADRP Fc1ccc2c(ccnc2NC2CC[NH+](C3CC3)CC2)c1 ZINC000335462812 379338085 /nfs/dbraw/zinc/33/80/85/379338085.db2.gz RDFMGUDPNKLYGF-UHFFFAOYSA-N 2 0 285.366 2.835 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000335441498 379303171 /nfs/dbraw/zinc/30/31/71/379303171.db2.gz CJTXFXXJNQYEFD-SJKOYZFVSA-N 2 0 295.386 2.532 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525703 379454004 /nfs/dbraw/zinc/45/40/04/379454004.db2.gz QHFJJNALLFWRQS-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000266761213 190279143 /nfs/dbraw/zinc/27/91/43/190279143.db2.gz GQLXZWNRNSSTQK-NVXWUHKLSA-N 2 0 276.424 2.574 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc2cccnc2o1 ZINC000335578251 379544764 /nfs/dbraw/zinc/54/47/64/379544764.db2.gz FFEQDQSQAXUINJ-WFASDCNBSA-N 2 0 273.380 2.600 20 0 CFADRP [NH3+]CC1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000334585709 379578243 /nfs/dbraw/zinc/57/82/43/379578243.db2.gz JCQWBTAKCBQWNG-INIZCTEOSA-N 2 0 262.372 2.874 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1F ZINC000335637152 379640748 /nfs/dbraw/zinc/64/07/48/379640748.db2.gz WPNOJPKGACVTDW-CHWSQXEVSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1cc2cc(CN3CCCO[C@H](C[NH3+])C3)oc2cc1C ZINC000335640613 379645287 /nfs/dbraw/zinc/64/52/87/379645287.db2.gz OKMYRGIHJNUTAW-MRXNPFEDSA-N 2 0 288.391 2.599 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000334644975 379698422 /nfs/dbraw/zinc/69/84/22/379698422.db2.gz SMQBFEWNAZFWAT-CABCVRRESA-N 2 0 263.360 2.531 20 0 CFADRP CCc1cc(N2CCC3(CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000334655866 379717949 /nfs/dbraw/zinc/71/79/49/379717949.db2.gz WBKCHUPZBVSWKR-UHFFFAOYSA-N 2 0 259.397 2.709 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]CC2CCCCC2)CCCO1 ZINC000432349422 383739550 /nfs/dbraw/zinc/73/95/50/383739550.db2.gz XMGGDPSTDPJTBP-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000173364234 379730599 /nfs/dbraw/zinc/73/05/99/379730599.db2.gz QQEPIAFVSVVQHZ-QAPCUYQASA-N 2 0 289.467 2.568 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000173388086 379733818 /nfs/dbraw/zinc/73/38/18/379733818.db2.gz VWSIGBQJGZVOHX-INIZCTEOSA-N 2 0 289.467 2.611 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cnc[nH]1 ZINC000173859642 379789228 /nfs/dbraw/zinc/78/92/28/379789228.db2.gz DTUTXOIDBDMBHR-OAHLLOKOSA-N 2 0 261.344 2.906 20 0 CFADRP c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173959145 379807369 /nfs/dbraw/zinc/80/73/69/379807369.db2.gz MXLUVYMUZYQCGC-UHFFFAOYSA-N 2 0 288.435 2.763 20 0 CFADRP Cc1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000335722592 379785284 /nfs/dbraw/zinc/78/52/84/379785284.db2.gz PCGGHYJQYHTKBX-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP Cc1csc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000335722670 379785463 /nfs/dbraw/zinc/78/54/63/379785463.db2.gz YKDOSZIWCFOSJX-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP Fc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000335779501 379875137 /nfs/dbraw/zinc/87/51/37/379875137.db2.gz FKBAMUTVDMMEPP-CJNGLKHVSA-N 2 0 262.372 2.962 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000334844831 379932010 /nfs/dbraw/zinc/93/20/10/379932010.db2.gz VRUPCXKPGOCJSX-ABAIWWIYSA-N 2 0 264.800 2.917 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000335048599 379962252 /nfs/dbraw/zinc/96/22/52/379962252.db2.gz DIZIESHSTBYDLC-KOHJWAIASA-N 2 0 260.381 2.629 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000335180429 379991001 /nfs/dbraw/zinc/99/10/01/379991001.db2.gz QTGKXYCKRBHPDO-INIZCTEOSA-N 2 0 258.409 2.666 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000335235042 380055473 /nfs/dbraw/zinc/05/54/73/380055473.db2.gz CZMPJUUOSSDZPF-ROUUACIJSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335236269 380058324 /nfs/dbraw/zinc/05/83/24/380058324.db2.gz DROYRPXVIMKXAA-CABCVRRESA-N 2 0 294.464 2.775 20 0 CFADRP CC(C)(C)c1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335254774 380089604 /nfs/dbraw/zinc/08/96/04/380089604.db2.gz IZBBYMPIRPNTNA-BETUJISGSA-N 2 0 293.480 2.872 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335237999 380061431 /nfs/dbraw/zinc/06/14/31/380061431.db2.gz IAROKKIRGLPMTK-MSOLQXFVSA-N 2 0 288.435 2.713 20 0 CFADRP CCC(CC)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432364898 383742263 /nfs/dbraw/zinc/74/22/63/383742263.db2.gz NSTPQAZKJCBUGI-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335961059 380165590 /nfs/dbraw/zinc/16/55/90/380165590.db2.gz NEXUOJNANLGZKC-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cs1 ZINC000336056520 380259270 /nfs/dbraw/zinc/25/92/70/380259270.db2.gz RGEMPLAUPFJTSC-OCCSQVGLSA-N 2 0 250.411 2.885 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000422862772 284824845 /nfs/dbraw/zinc/82/48/45/284824845.db2.gz OCQUNKSCOHYDKX-FVQBIDKESA-N 2 0 295.496 2.719 20 0 CFADRP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccoc1 ZINC000177911662 380392870 /nfs/dbraw/zinc/39/28/70/380392870.db2.gz UBRDOUUPRGJYMQ-LBPRGKRZSA-N 2 0 268.320 2.711 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000177401458 380338847 /nfs/dbraw/zinc/33/88/47/380338847.db2.gz ZVKBCZOVDZRTBZ-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000178378155 380444773 /nfs/dbraw/zinc/44/47/73/380444773.db2.gz FDNDHKCDYXYSBP-BXUZGUMPSA-N 2 0 299.484 2.767 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000178395844 380446810 /nfs/dbraw/zinc/44/68/10/380446810.db2.gz FGUZFEUAIUEHKX-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccoc1 ZINC000178041523 380403841 /nfs/dbraw/zinc/40/38/41/380403841.db2.gz YNPXWHKSLZWJNQ-KFWWJZLASA-N 2 0 280.412 2.820 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C(C)C ZINC000178159775 380414821 /nfs/dbraw/zinc/41/48/21/380414821.db2.gz WPCPVYBZAHUABN-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000336574675 380489210 /nfs/dbraw/zinc/48/92/10/380489210.db2.gz RPGDSCZGJNEMHD-WMZOPIPTSA-N 2 0 293.499 2.525 20 0 CFADRP CC1=CC[C@@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000336574612 380489562 /nfs/dbraw/zinc/48/95/62/380489562.db2.gz XSUYHRGKVYHADH-MRXNPFEDSA-N 3 0 291.483 2.633 20 0 CFADRP Clc1cccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000178972574 380496792 /nfs/dbraw/zinc/49/67/92/380496792.db2.gz WXHHFCVZFCTIGH-UHFFFAOYSA-N 2 0 264.800 2.698 20 0 CFADRP COCCC[C@H](C)[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC000178578312 380466390 /nfs/dbraw/zinc/46/63/90/380466390.db2.gz CZPBASARXKXTJY-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000178750743 380482747 /nfs/dbraw/zinc/48/27/47/380482747.db2.gz RZYJRXYHORLHEO-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H](C)C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000179596688 380563350 /nfs/dbraw/zinc/56/33/50/380563350.db2.gz XLNZONCVVBIFKA-KFWWJZLASA-N 2 0 256.434 2.512 20 0 CFADRP CCOc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000336792906 380639155 /nfs/dbraw/zinc/63/91/55/380639155.db2.gz URTRQRZYGHBDOZ-CYBMUJFWSA-N 2 0 250.386 2.692 20 0 CFADRP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000179865745 380588297 /nfs/dbraw/zinc/58/82/97/380588297.db2.gz YGRJBHYJTPKOKU-MRXNPFEDSA-N 2 0 290.451 2.865 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]CCc1ccc(Cl)cc1 ZINC000336688901 380594702 /nfs/dbraw/zinc/59/47/02/380594702.db2.gz HAOZAZOCKYIFPN-LBPRGKRZSA-N 2 0 254.805 2.812 20 0 CFADRP CSCC[C@H](C)[N@H+](C)CCCn1ccnc1C ZINC000336709188 380601748 /nfs/dbraw/zinc/60/17/48/380601748.db2.gz JHAVOZBJMGSOMU-LBPRGKRZSA-N 2 0 255.431 2.655 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000452115193 383747953 /nfs/dbraw/zinc/74/79/53/383747953.db2.gz LFBAKHDVTFKZAK-SJORKVTESA-N 2 0 281.488 2.664 20 0 CFADRP CCCCOC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336798744 380648865 /nfs/dbraw/zinc/64/88/65/380648865.db2.gz GEOAGVTUZYYDPT-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP COC(C)(C)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336805647 380662372 /nfs/dbraw/zinc/66/23/72/380662372.db2.gz KIGSMDPKHCCODP-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000572028777 383748254 /nfs/dbraw/zinc/74/82/54/383748254.db2.gz FXKMLOMRPNXGIX-MUQADHOPSA-N 2 0 290.451 2.646 20 0 CFADRP COc1ccc(F)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000295372410 380814373 /nfs/dbraw/zinc/81/43/73/380814373.db2.gz OLYVLKVSQULTCR-GXTWGEPZSA-N 2 0 280.387 2.749 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000341185228 380820835 /nfs/dbraw/zinc/82/08/35/380820835.db2.gz JHJGRZHSSAJKMN-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP C[C@H](CC[NH2+]CC[C@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000400717738 380863868 /nfs/dbraw/zinc/86/38/68/380863868.db2.gz UXQZYCJNUAFXJT-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401003857 380866973 /nfs/dbraw/zinc/86/69/73/380866973.db2.gz ILVMBVZQEBJVSS-BHPKHCPMSA-N 2 0 260.381 2.635 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000295459001 380867466 /nfs/dbraw/zinc/86/74/66/380867466.db2.gz QRQPJZGCDAFIDY-IFCWYPFCSA-N 2 0 288.435 2.662 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000295459003 380867804 /nfs/dbraw/zinc/86/78/04/380867804.db2.gz QRQPJZGCDAFIDY-OSBBLCOHSA-N 2 0 288.435 2.662 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000295459005 380868873 /nfs/dbraw/zinc/86/88/73/380868873.db2.gz QRQPJZGCDAFIDY-UXDQUXDASA-N 2 0 288.435 2.662 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)n2)[C@@H](C)C1 ZINC000287412648 380826366 /nfs/dbraw/zinc/82/63/66/380826366.db2.gz JQQHTHZUPRQQBJ-WMLDXEAASA-N 2 0 275.440 2.643 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1OC ZINC000181728557 380877892 /nfs/dbraw/zinc/87/78/92/380877892.db2.gz YOLXGEBLJXJVJM-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP OCCC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000346978981 380838853 /nfs/dbraw/zinc/83/88/53/380838853.db2.gz LMVVUSWTDKUOLK-OAHLLOKOSA-N 2 0 296.842 2.524 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000346976849 380839249 /nfs/dbraw/zinc/83/92/49/380839249.db2.gz KHFREAHWWCHWEJ-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400414849 380859823 /nfs/dbraw/zinc/85/98/23/380859823.db2.gz UUPBMFONNQUETM-YJBOKZPZSA-N 2 0 289.467 2.759 20 0 CFADRP COc1ccsc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347015496 380880815 /nfs/dbraw/zinc/88/08/15/380880815.db2.gz JQCIBXSPWPQURJ-ZDUSSCGKSA-N 2 0 280.437 2.721 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000181747004 380883819 /nfs/dbraw/zinc/88/38/19/380883819.db2.gz CGDCFJFIQJDJSJ-BBWFWOEESA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000353842518 380894645 /nfs/dbraw/zinc/89/46/45/380894645.db2.gz FSFHSNDZNDHCAB-INIZCTEOSA-N 2 0 279.403 2.849 20 0 CFADRP CC/C=C\CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000341317790 380930941 /nfs/dbraw/zinc/93/09/41/380930941.db2.gz LOUNVBBNEVOPBX-WAYWQWQTSA-N 2 0 293.499 2.833 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000404636610 380905953 /nfs/dbraw/zinc/90/59/53/380905953.db2.gz ZZXOSBMQMRFJBY-DOTOQJQBSA-N 2 0 267.376 2.667 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000347064905 380918706 /nfs/dbraw/zinc/91/87/06/380918706.db2.gz DKVKAAWENFWGOK-ZBFHGGJFSA-N 2 0 276.424 2.871 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353909749 380949253 /nfs/dbraw/zinc/94/92/53/380949253.db2.gz BOFXFRVYVPDTAS-HUUCEWRRSA-N 2 0 295.515 2.673 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353909748 380949464 /nfs/dbraw/zinc/94/94/64/380949464.db2.gz BOFXFRVYVPDTAS-GJZGRUSLSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)c1cnc(C[NH+]2CCC([C@H](C)[NH3+])CC2)s1 ZINC000347126858 380956322 /nfs/dbraw/zinc/95/63/22/380956322.db2.gz YJEYXCDSEFZWOT-NSHDSACASA-N 2 0 267.442 2.826 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCOCC1 ZINC000353923745 380958937 /nfs/dbraw/zinc/95/89/37/380958937.db2.gz AEMLOWCPJZAORI-BZUAXINKSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000347128097 380958907 /nfs/dbraw/zinc/95/89/07/380958907.db2.gz ZQQXKJRTOUTIEK-AWEZNQCLSA-N 2 0 269.392 2.585 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000347097333 380934536 /nfs/dbraw/zinc/93/45/36/380934536.db2.gz JKCSCFZSFGWHKW-UHFFFAOYSA-N 2 0 298.434 2.817 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000368292376 380983937 /nfs/dbraw/zinc/98/39/37/380983937.db2.gz UGMVOSINSKZNIQ-VWPFQQQWSA-N 2 0 274.408 2.623 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000347105054 380941585 /nfs/dbraw/zinc/94/15/85/380941585.db2.gz MRBYYEURKGSZHP-AWEZNQCLSA-N 2 0 298.434 2.944 20 0 CFADRP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347217584 381010007 /nfs/dbraw/zinc/01/00/07/381010007.db2.gz HCCZIZADHSFNQS-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOC1 ZINC000358708874 381025350 /nfs/dbraw/zinc/02/53/50/381025350.db2.gz CLVOONSNHONIOW-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H](O)CCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000368452760 381029436 /nfs/dbraw/zinc/02/94/36/381029436.db2.gz CAKGTQFIGOVPSZ-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)Oc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347187870 380992458 /nfs/dbraw/zinc/99/24/58/380992458.db2.gz CRUARCWXKWOWJP-INIZCTEOSA-N 2 0 274.408 2.800 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000347195464 380996909 /nfs/dbraw/zinc/99/69/09/380996909.db2.gz IJKLDPYEMQBDHH-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1O ZINC000347322200 381069184 /nfs/dbraw/zinc/06/91/84/381069184.db2.gz ZDODOSBYUYLPPK-IAGOWNOFSA-N 2 0 288.435 2.768 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000358768128 381069936 /nfs/dbraw/zinc/06/99/36/381069936.db2.gz FPRBUVBHWDOKIQ-UONOGXRCSA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCNc1cc(C)nc(C2CC2)n1 ZINC000341476127 381036168 /nfs/dbraw/zinc/03/61/68/381036168.db2.gz CYQXSAOXOJPVAV-OAHLLOKOSA-N 2 0 288.439 2.761 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182243689 381037281 /nfs/dbraw/zinc/03/72/81/381037281.db2.gz WDLODSPYIMPVLZ-MAUKXSAKSA-N 2 0 290.451 2.777 20 0 CFADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000347269822 381039151 /nfs/dbraw/zinc/03/91/51/381039151.db2.gz OFWPLUCRMIPAEY-UUAJXVIYSA-N 2 0 290.451 2.551 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000354124728 381094570 /nfs/dbraw/zinc/09/45/70/381094570.db2.gz OGFVPGAOMRGHMI-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP COC1CC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000347363555 381098801 /nfs/dbraw/zinc/09/88/01/381098801.db2.gz RVQAPMVYEVERIT-UHFFFAOYSA-N 2 0 294.464 2.727 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000182522255 381106967 /nfs/dbraw/zinc/10/69/67/381106967.db2.gz MZCAITOXOPVHFC-HNNXBMFYSA-N 2 0 298.471 2.818 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC(C)(C)C1 ZINC000412044126 381120612 /nfs/dbraw/zinc/12/06/12/381120612.db2.gz XIDDYQJEYKPIFN-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)n1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000354098515 381078150 /nfs/dbraw/zinc/07/81/50/381078150.db2.gz XQXMWTUPOVVDFM-MRXNPFEDSA-N 2 0 290.455 2.628 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000295890159 381139817 /nfs/dbraw/zinc/13/98/17/381139817.db2.gz HQMHQQQFBQICQN-KUPNBSADSA-N 2 0 288.435 2.543 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOCC(F)(F)F)C[C@@H]1C ZINC000354211110 381143774 /nfs/dbraw/zinc/14/37/74/381143774.db2.gz VPOAJQZXLHEKTK-STQMWFEESA-N 2 0 296.377 2.760 20 0 CFADRP CCOC(=O)CCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354212070 381144189 /nfs/dbraw/zinc/14/41/89/381144189.db2.gz ZHMJMVSPKUMADE-CABCVRRESA-N 2 0 284.444 2.524 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCn2cccn2)C[C@H]1C ZINC000354219679 381147265 /nfs/dbraw/zinc/14/72/65/381147265.db2.gz DCQREIOVQACING-SJORKVTESA-N 2 0 292.471 2.858 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCn2cccn2)CC1 ZINC000182751378 381149349 /nfs/dbraw/zinc/14/93/49/381149349.db2.gz UKBLPECNGGHKCX-UHFFFAOYSA-N 2 0 292.471 2.717 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)COC)CC1 ZINC000182768151 381153802 /nfs/dbraw/zinc/15/38/02/381153802.db2.gz SNNSKBRDBJZKQE-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CCCC[NH+](C)C ZINC000354198650 381135054 /nfs/dbraw/zinc/13/50/54/381135054.db2.gz KMZLWCKGTLKGLR-UHFFFAOYSA-N 2 0 252.377 2.820 20 0 CFADRP CO[C@@H]1CC[N@H+](CCCc2cnccc2C)[C@H](C)C1 ZINC000289853025 381187017 /nfs/dbraw/zinc/18/70/17/381187017.db2.gz VLUZDSUZOVSFMV-GDBMZVCRSA-N 2 0 262.397 2.822 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000182958061 381190413 /nfs/dbraw/zinc/19/04/13/381190413.db2.gz GYTNXHWGLLDTCR-ZWKOTPCHSA-N 2 0 293.499 2.526 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000354331743 381207681 /nfs/dbraw/zinc/20/76/81/381207681.db2.gz RWYGNWURFBBAJR-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000183073886 381211857 /nfs/dbraw/zinc/21/18/57/381211857.db2.gz IREHFDNOGKBXBK-IAGOWNOFSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@H]([NH2+]CC1=CCCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100254 381215147 /nfs/dbraw/zinc/21/51/47/381215147.db2.gz HFSSZWSZXBHAPH-HOCLYGCPSA-N 2 0 278.440 2.576 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369420397 381255934 /nfs/dbraw/zinc/25/59/34/381255934.db2.gz UTDASMRIVWPTAG-RCCFBDPRSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000359100974 381265074 /nfs/dbraw/zinc/26/50/74/381265074.db2.gz BVXOHHIRESUJIS-OAHLLOKOSA-N 2 0 290.455 2.658 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccsc1 ZINC000296129247 381268459 /nfs/dbraw/zinc/26/84/59/381268459.db2.gz VQIYSQVIOCPFRO-INIZCTEOSA-N 2 0 295.496 2.816 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2COCC)CC1 ZINC000354353913 381221123 /nfs/dbraw/zinc/22/11/23/381221123.db2.gz WPLVCQFHRMPQNZ-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CCC[NH+]1CCC(N(C)Cc2cnn(CC(C)C)c2)CC1 ZINC000183139368 381223269 /nfs/dbraw/zinc/22/32/69/381223269.db2.gz VMNYPANKPLGIRU-UHFFFAOYSA-N 2 0 292.471 2.845 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000290076123 381288065 /nfs/dbraw/zinc/28/80/65/381288065.db2.gz GLXYUKMIXZLORA-JQHSSLGASA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@@](C)([NH2+]CCC1CC[NH2+]CC1)c1nccs1 ZINC000359219729 381292809 /nfs/dbraw/zinc/29/28/09/381292809.db2.gz MFQILPMBXUAGGF-CQSZACIVSA-N 2 0 267.442 2.748 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000369722621 381320927 /nfs/dbraw/zinc/32/09/27/381320927.db2.gz SMPXYUWAKLKRJF-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000369851227 381341366 /nfs/dbraw/zinc/34/13/66/381341366.db2.gz ITMBWAIIDQHJJL-FSDCSDTHSA-N 2 0 276.424 2.692 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000290301510 381376392 /nfs/dbraw/zinc/37/63/92/381376392.db2.gz BJKPNVDXVUEVER-INIZCTEOSA-N 2 0 274.408 2.556 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(C)c1O ZINC000290384042 381405638 /nfs/dbraw/zinc/40/56/38/381405638.db2.gz IHTIVYFMAFEPBG-DLBZAZTESA-N 2 0 288.435 2.925 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000342577540 381408479 /nfs/dbraw/zinc/40/84/79/381408479.db2.gz LRDZCVNIDGPCBA-CQSZACIVSA-N 2 0 296.842 2.992 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000359431391 381409520 /nfs/dbraw/zinc/40/95/20/381409520.db2.gz GJEDVMCJQNXSIF-HNNXBMFYSA-N 2 0 281.403 2.671 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000296471129 381409759 /nfs/dbraw/zinc/40/97/59/381409759.db2.gz PODONYGWWGYDBT-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP CCC[C@H]1C[N@H+](CCCc2cnccc2C)CCO1 ZINC000347863685 381386464 /nfs/dbraw/zinc/38/64/64/381386464.db2.gz KWMNUXFHDPSBIP-INIZCTEOSA-N 2 0 262.397 2.824 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296421424 381388468 /nfs/dbraw/zinc/38/84/68/381388468.db2.gz LKBDOWHKMSIQEJ-FSUMODHMSA-N 2 0 288.435 2.977 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000296427571 381390782 /nfs/dbraw/zinc/39/07/82/381390782.db2.gz LWEICMACCBOWEK-HIFRSBDPSA-N 2 0 295.496 2.733 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(CCCc2cnccc2C)C[C@@H]1C ZINC000347870008 381391988 /nfs/dbraw/zinc/39/19/88/381391988.db2.gz FMWFNQMWYHLDCJ-JKSUJKDBSA-N 2 0 275.440 2.737 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290342333 381392364 /nfs/dbraw/zinc/39/23/64/381392364.db2.gz FMBOXJBBYNSEIZ-NVXWUHKLSA-N 2 0 274.408 2.611 20 0 CFADRP COC[C@@H]1CCCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000342560886 381398345 /nfs/dbraw/zinc/39/83/45/381398345.db2.gz AJKVTXGMCWIFTP-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccsc1 ZINC000296510280 381427284 /nfs/dbraw/zinc/42/72/84/381427284.db2.gz QMHJIZXKJAUSJC-HOCLYGCPSA-N 2 0 295.496 2.815 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000342618066 381437691 /nfs/dbraw/zinc/43/76/91/381437691.db2.gz SIUAVGOLYYDWQW-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000348262743 381475895 /nfs/dbraw/zinc/47/58/95/381475895.db2.gz KGSHKJOJVQYFQY-XWTMOSNGSA-N 2 0 293.499 2.808 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000296569818 381454121 /nfs/dbraw/zinc/45/41/21/381454121.db2.gz SVQUELSIVIRKHZ-KFWWJZLASA-N 2 0 275.440 2.678 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000290507556 381457976 /nfs/dbraw/zinc/45/79/76/381457976.db2.gz PKDCJGNRHZUHQQ-CRAIPNDOSA-N 2 0 298.434 2.644 20 0 CFADRP CCOC1CC(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000370572322 381470418 /nfs/dbraw/zinc/47/04/18/381470418.db2.gz ONYHZTBFHQIRIE-CGZBRXJRSA-N 2 0 280.456 2.752 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000290641869 381507657 /nfs/dbraw/zinc/50/76/57/381507657.db2.gz YNQZOWUPTKUHSL-BBRMVZONSA-N 2 0 262.397 2.758 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000342697942 381486228 /nfs/dbraw/zinc/48/62/28/381486228.db2.gz LLGWMNDTHLDZPH-OAGGEKHMSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1F ZINC000290580461 381487974 /nfs/dbraw/zinc/48/79/74/381487974.db2.gz UNEZYOOXSRFIGO-XJKSGUPXSA-N 2 0 264.388 2.906 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1ccc(C(=O)OCC)o1 ZINC000290583858 381488188 /nfs/dbraw/zinc/48/81/88/381488188.db2.gz UTWRUCSBDWHCAU-UHFFFAOYSA-N 2 0 296.411 2.620 20 0 CFADRP CCC1CC([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000342700392 381488369 /nfs/dbraw/zinc/48/83/69/381488369.db2.gz QMHFZJXSCKMMMD-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)cc1 ZINC000370680639 381490017 /nfs/dbraw/zinc/49/00/17/381490017.db2.gz JOPKOKLDQLBMGR-ROUUACIJSA-N 2 0 270.420 2.850 20 0 CFADRP Cc1ccsc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000290602951 381495370 /nfs/dbraw/zinc/49/53/70/381495370.db2.gz VZRCMYJWUMDTMW-KGLIPLIRSA-N 2 0 264.438 2.973 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000348308660 381495372 /nfs/dbraw/zinc/49/53/72/381495372.db2.gz FGYLEERCCSDSBI-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)OC ZINC000348306684 381495987 /nfs/dbraw/zinc/49/59/87/381495987.db2.gz ZOWDPYNOGCNRPM-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000342720624 381497298 /nfs/dbraw/zinc/49/72/98/381497298.db2.gz CQOPIMCNUDYZLB-CVEARBPZSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000342720635 381497313 /nfs/dbraw/zinc/49/73/13/381497313.db2.gz CQOPIMCNUDYZLB-HOTGVXAUSA-N 2 0 283.504 2.674 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000370728644 381500143 /nfs/dbraw/zinc/50/01/43/381500143.db2.gz CUDPXYIBXLGQBD-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000354961447 381539024 /nfs/dbraw/zinc/53/90/24/381539024.db2.gz QCDBCKMCHQQSLF-AEGPPILISA-N 2 0 268.445 2.508 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OCc1ccccc1 ZINC000354920813 381522703 /nfs/dbraw/zinc/52/27/03/381522703.db2.gz PIKFPNSMATVAOO-WMZOPIPTSA-N 2 0 290.451 2.865 20 0 CFADRP CC(C)[N@@H+](C)C[C@@H](C)Nc1nc2ccccc2n1C ZINC000290713126 381528811 /nfs/dbraw/zinc/52/88/11/381528811.db2.gz ONWRQIKCJCJHOU-GFCCVEGCSA-N 2 0 260.385 2.714 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000185190566 381559220 /nfs/dbraw/zinc/55/92/20/381559220.db2.gz TVUQVFXWKPMABL-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1O ZINC000290817618 381562528 /nfs/dbraw/zinc/56/25/28/381562528.db2.gz WRRGWCTZFZHJMQ-ZDUSSCGKSA-N 2 0 292.423 2.783 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000355049365 381583341 /nfs/dbraw/zinc/58/33/41/381583341.db2.gz HAKJUTYWQXBRMS-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000414175156 381569707 /nfs/dbraw/zinc/56/97/07/381569707.db2.gz GZESDXKKMWZUOC-DYVFJYSZSA-N 2 0 291.414 2.993 20 0 CFADRP CO[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000297796783 381571900 /nfs/dbraw/zinc/57/19/00/381571900.db2.gz XCPBQVRAKGRNJZ-INIZCTEOSA-N 2 0 291.439 2.701 20 0 CFADRP CC(C)(C)[NH2+]CCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000414703255 381600941 /nfs/dbraw/zinc/60/09/41/381600941.db2.gz IQMOPBWIJJYHEN-QGZVFWFLSA-N 2 0 290.451 2.708 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccsc1Cl ZINC000359764108 381601506 /nfs/dbraw/zinc/60/15/06/381601506.db2.gz IUFZTHWFAMLIOT-LBPRGKRZSA-N 2 0 290.860 2.848 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000414738264 381602942 /nfs/dbraw/zinc/60/29/42/381602942.db2.gz HUVXSTGNZBFRBD-GRYCIOLGSA-N 2 0 264.335 2.649 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414794189 381604666 /nfs/dbraw/zinc/60/46/66/381604666.db2.gz FITDMGFCMLPKQJ-TUKIKUTGSA-N 2 0 264.800 2.524 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414794185 381605491 /nfs/dbraw/zinc/60/54/91/381605491.db2.gz FITDMGFCMLPKQJ-GLQYFDAESA-N 2 0 264.800 2.524 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414813047 381608082 /nfs/dbraw/zinc/60/80/82/381608082.db2.gz YCWVOMKBYLWIGG-APHBMKBZSA-N 2 0 278.827 2.914 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc3C2)CCCCC1 ZINC000414839228 381608290 /nfs/dbraw/zinc/60/82/90/381608290.db2.gz JEDAIQYOIOTXLK-INIZCTEOSA-N 2 0 258.409 2.795 20 0 CFADRP CC1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC[NH2+]CC1 ZINC000414896719 381611086 /nfs/dbraw/zinc/61/10/86/381611086.db2.gz COVFBXUOZGCQOJ-CABCVRRESA-N 2 0 250.430 2.935 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000414927257 381615646 /nfs/dbraw/zinc/61/56/46/381615646.db2.gz ONAUSCOFLIYBCO-QWHCGFSZSA-N 2 0 266.360 2.584 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414929448 381618738 /nfs/dbraw/zinc/61/87/38/381618738.db2.gz RKPKQSQWHWJTIF-GJZGRUSLSA-N 2 0 262.397 2.833 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000371415272 381620668 /nfs/dbraw/zinc/62/06/68/381620668.db2.gz BHIZQNGBIXHDJD-UHFFFAOYSA-N 2 0 292.423 2.522 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414931965 381622230 /nfs/dbraw/zinc/62/22/30/381622230.db2.gz CDIGLBYRQOUSOY-SPUZQDLCSA-N 2 0 272.436 2.985 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCc2ccc(C)cc2)CCC[NH2+]1 ZINC000414934705 381624826 /nfs/dbraw/zinc/62/48/26/381624826.db2.gz AGZLURDZLUBEMN-FUHWJXTLSA-N 2 0 290.451 2.674 20 0 CFADRP CC1([NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000414946133 381636042 /nfs/dbraw/zinc/63/60/42/381636042.db2.gz SSRQLRFCWHISAI-UHFFFAOYSA-N 2 0 272.314 2.937 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)CC[NH2+]1 ZINC000414945659 381637065 /nfs/dbraw/zinc/63/70/65/381637065.db2.gz IOUKAFBTRBKWJS-HZPDHXFCSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946759 381638102 /nfs/dbraw/zinc/63/81/02/381638102.db2.gz KCLNHLONBCLJRX-XJKCOSOUSA-N 2 0 264.388 2.877 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000414948084 381638786 /nfs/dbraw/zinc/63/87/86/381638786.db2.gz XKHAKEOWHJXVAJ-TYNCELHUSA-N 2 0 250.361 2.517 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H](C)C1 ZINC000355140202 381639435 /nfs/dbraw/zinc/63/94/35/381639435.db2.gz XRTPNHMVXADDHU-SOEBMCCKSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946760 381639616 /nfs/dbraw/zinc/63/96/16/381639616.db2.gz KCLNHLONBCLJRX-ZENOOKHLSA-N 2 0 264.388 2.877 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414949588 381641687 /nfs/dbraw/zinc/64/16/87/381641687.db2.gz NUFWDUVEGAFIDC-XJKSGUPXSA-N 2 0 284.407 2.615 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCCC(C)C)CCC[NH2+]1 ZINC000414952204 381642637 /nfs/dbraw/zinc/64/26/37/381642637.db2.gz HXVDQWOAJMKIOJ-HUUCEWRRSA-N 2 0 256.434 2.559 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000414951670 381643314 /nfs/dbraw/zinc/64/33/14/381643314.db2.gz HXRIXTRQDZDYLK-RISCZKNCSA-N 2 0 297.240 2.845 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414954984 381646474 /nfs/dbraw/zinc/64/64/74/381646474.db2.gz MGVQCPUTKOIJTR-BZUAXINKSA-N 2 0 268.445 2.704 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c2ccccc12 ZINC000414959579 381654773 /nfs/dbraw/zinc/65/47/73/381654773.db2.gz PVOKHUGLUKFZCY-SUMWQHHRSA-N 2 0 284.403 2.936 20 0 CFADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000414960425 381655532 /nfs/dbraw/zinc/65/55/32/381655532.db2.gz GSKYWHKYAMEFRD-UHFFFAOYSA-N 2 0 261.413 2.540 20 0 CFADRP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414963514 381658191 /nfs/dbraw/zinc/65/81/91/381658191.db2.gz UAKVTVBUIUFFQU-RHSMWYFYSA-N 2 0 260.425 2.973 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414962151 381658637 /nfs/dbraw/zinc/65/86/37/381658637.db2.gz VZDAKMFFKOJXDE-KKUMJFAQSA-N 2 0 256.434 2.559 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414967462 381663929 /nfs/dbraw/zinc/66/39/29/381663929.db2.gz XHEXLJYNIAJBCT-QWHCGFSZSA-N 2 0 252.377 2.734 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000414966507 381664141 /nfs/dbraw/zinc/66/41/41/381664141.db2.gz GKTRCIXPGNLBMS-IUODEOHRSA-N 2 0 264.388 2.907 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCCC(C)C)CC[NH2+]CC1 ZINC000414968985 381665372 /nfs/dbraw/zinc/66/53/72/381665372.db2.gz GGBBGWNFEXUGEW-OAHLLOKOSA-N 2 0 270.461 2.807 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414970195 381665592 /nfs/dbraw/zinc/66/55/92/381665592.db2.gz KDRHXDJTWKNBFM-JYJNAYRXSA-N 2 0 258.409 2.768 20 0 CFADRP Fc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc(F)c1F ZINC000414969837 381665932 /nfs/dbraw/zinc/66/59/32/381665932.db2.gz JREAJORMXVQENK-NSHDSACASA-N 2 0 272.314 2.726 20 0 CFADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414970964 381668299 /nfs/dbraw/zinc/66/82/99/381668299.db2.gz KYYHCLBCBWFVRS-ZDUSSCGKSA-N 2 0 282.815 2.970 20 0 CFADRP c1nc([C@@H]2CCCO2)sc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414974682 381669506 /nfs/dbraw/zinc/66/95/06/381669506.db2.gz NWSMZNSUKOLCCZ-OCCSQVGLSA-N 2 0 295.452 2.616 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000343270639 381672916 /nfs/dbraw/zinc/67/29/16/381672916.db2.gz FMLUJJWTZLDOER-KYJSFNMBSA-N 2 0 270.420 2.864 20 0 CFADRP Clc1cc2c(c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000414978145 381673426 /nfs/dbraw/zinc/67/34/26/381673426.db2.gz SGPOQAVHEJGKJL-OAHLLOKOSA-N 2 0 294.826 2.897 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414959662 381654478 /nfs/dbraw/zinc/65/44/78/381654478.db2.gz XMMBIXJZDDIIJD-ZYHUDNBSSA-N 2 0 270.323 2.518 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000415016729 381711401 /nfs/dbraw/zinc/71/14/01/381711401.db2.gz QLKCYDITYXDXRE-VXGBXAGGSA-N 2 0 281.469 2.875 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(-c2ccnn2C)c1 ZINC000415018930 381713001 /nfs/dbraw/zinc/71/30/01/381713001.db2.gz HMIAXBQQWJQWOG-AWEZNQCLSA-N 2 0 286.423 2.613 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415019079 381713153 /nfs/dbraw/zinc/71/31/53/381713153.db2.gz RJOWOCMUQUEFPO-MGPQQGTHSA-N 2 0 291.439 2.852 20 0 CFADRP COc1cc2c(cc1C[NH2+][C@H](C)CCCC[NH3+])O[C@@H](C)C2 ZINC000415019408 381713325 /nfs/dbraw/zinc/71/33/25/381713325.db2.gz VSKVXRCCXPBBTC-OLZOCXBDSA-N 2 0 292.423 2.626 20 0 CFADRP CCc1nc(C)cc(N[C@@H](c2ncc[nH]2)C(C)C)n1 ZINC000291130250 381677072 /nfs/dbraw/zinc/67/70/72/381677072.db2.gz NCXCPHCHMYULAV-CYBMUJFWSA-N 2 0 259.357 2.880 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414982112 381677916 /nfs/dbraw/zinc/67/79/16/381677916.db2.gz YJXAWWJETYVYIE-HNNXBMFYSA-N 2 0 285.391 2.963 20 0 CFADRP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414985830 381679122 /nfs/dbraw/zinc/67/91/22/381679122.db2.gz BOMXJILMPGNGTL-CHWSQXEVSA-N 2 0 296.484 2.596 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414987719 381681292 /nfs/dbraw/zinc/68/12/92/381681292.db2.gz DTWSHYVAUHRNDL-IKKRTKPYSA-N 2 0 270.420 2.649 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1Cl ZINC000414987416 381681665 /nfs/dbraw/zinc/68/16/65/381681665.db2.gz JGUJPLBIEZOSNO-JHJIOBLFSA-N 2 0 264.800 2.946 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000414987321 381681838 /nfs/dbraw/zinc/68/18/38/381681838.db2.gz DMVDZUVNFAJONF-JSGCOSHPSA-N 2 0 250.361 2.741 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000414995338 381686962 /nfs/dbraw/zinc/68/69/62/381686962.db2.gz FGZPPCOWOFLIAX-KBMXLJTQSA-N 2 0 288.435 2.660 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002776 381694653 /nfs/dbraw/zinc/69/46/53/381694653.db2.gz MLGZBCPVJIVHOW-AGIUHOORSA-N 2 0 293.480 2.875 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000415003268 381697103 /nfs/dbraw/zinc/69/71/03/381697103.db2.gz FQCCKRBNQVCBRQ-RRQGHBQHSA-N 2 0 258.409 2.768 20 0 CFADRP CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415005545 381698744 /nfs/dbraw/zinc/69/87/44/381698744.db2.gz ZLDBKGZDKAVNML-DZGCQCFKSA-N 2 0 262.397 2.692 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000415005143 381699184 /nfs/dbraw/zinc/69/91/84/381699184.db2.gz OZKPUUDUPBVRGH-ZBFHGGJFSA-N 2 0 290.455 2.533 20 0 CFADRP CSCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673054 381701171 /nfs/dbraw/zinc/70/11/71/381701171.db2.gz RMWMWRRGWZYTJR-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415009536 381702018 /nfs/dbraw/zinc/70/20/18/381702018.db2.gz UFPQKUXAXTWWNN-OLZOCXBDSA-N 2 0 281.469 2.949 20 0 CFADRP C[C@H]([NH2+]CCOCC1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682086 381703798 /nfs/dbraw/zinc/70/37/98/381703798.db2.gz WNAUMDMGTKQLIU-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415010392 381704133 /nfs/dbraw/zinc/70/41/33/381704133.db2.gz GJTAOEDJYYJEKP-CHWSQXEVSA-N 2 0 295.402 2.650 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415011407 381704839 /nfs/dbraw/zinc/70/48/39/381704839.db2.gz HTAUCPGVFKEMLQ-VWYCJHECSA-N 2 0 274.330 2.962 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415010407 381705271 /nfs/dbraw/zinc/70/52/71/381705271.db2.gz PAZPDVHDIWVVTN-DLBZAZTESA-N 2 0 274.408 2.563 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000415012174 381706501 /nfs/dbraw/zinc/70/65/01/381706501.db2.gz ISQLHXMHHOVBIN-TUAOUCFPSA-N 2 0 297.830 2.691 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415012019 381706629 /nfs/dbraw/zinc/70/66/29/381706629.db2.gz RURZOCWSQMJWCM-NWDGAFQWSA-N 2 0 270.829 2.879 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000415013490 381707744 /nfs/dbraw/zinc/70/77/44/381707744.db2.gz KPBDUKODFBDGJF-ZJUUUORDSA-N 2 0 258.768 2.737 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000415041046 381728373 /nfs/dbraw/zinc/72/83/73/381728373.db2.gz PMJLAHFGRFGNNW-ZYHUDNBSSA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000415041137 381728758 /nfs/dbraw/zinc/72/87/58/381728758.db2.gz POVFYZPBNPJKEI-SCZZXKLOSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000415040310 381728795 /nfs/dbraw/zinc/72/87/95/381728795.db2.gz OYCFQGBBJZOEDH-GXSJLCMTSA-N 2 0 288.313 2.644 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415040202 381729135 /nfs/dbraw/zinc/72/91/35/381729135.db2.gz OPZOGBRWWBMOFE-SMDDNHRTSA-N 2 0 252.789 2.865 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000372010373 381733718 /nfs/dbraw/zinc/73/37/18/381733718.db2.gz NZECXXWZDIYJRV-IXDOHACOSA-N 2 0 256.393 2.631 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415053699 381738613 /nfs/dbraw/zinc/73/86/13/381738613.db2.gz MRJVXXUJEBFCEI-MRLCAUJQSA-N 2 0 293.499 2.619 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccn(C(F)F)n1)c1ccccc1 ZINC000415053830 381739871 /nfs/dbraw/zinc/73/98/71/381739871.db2.gz MXDTYNXVKBZMBI-CQSZACIVSA-N 2 0 294.349 2.848 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415055646 381740154 /nfs/dbraw/zinc/74/01/54/381740154.db2.gz RIJYZGLGHCMGSR-MSOLQXFVSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)(C)[C@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415054994 381740181 /nfs/dbraw/zinc/74/01/81/381740181.db2.gz FYBQLJHZPLGVBK-BTFPBAQTSA-N 2 0 250.430 2.789 20 0 CFADRP Cc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)nc1 ZINC000415053981 381741299 /nfs/dbraw/zinc/74/12/99/381741299.db2.gz NDYUXUGQZSPLSJ-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056267 381743044 /nfs/dbraw/zinc/74/30/44/381743044.db2.gz PQSRRLXOAZAHKM-FOIPXRHGSA-N 2 0 293.499 2.617 20 0 CFADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1C ZINC000415058221 381744598 /nfs/dbraw/zinc/74/45/98/381744598.db2.gz VFWBUDGZVHBGKF-SJORKVTESA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H](c2ccccc2)C1 ZINC000415060986 381747473 /nfs/dbraw/zinc/74/74/73/381747473.db2.gz KXOIKGRLDAWKKE-KCGIUVKQSA-N 2 0 270.420 2.766 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060748 381747582 /nfs/dbraw/zinc/74/75/82/381747582.db2.gz XLJCYEHVUQDTCR-VEZWFGLTSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000415025346 381718204 /nfs/dbraw/zinc/71/82/04/381718204.db2.gz QQVMGCHMBRUUNW-LLVKDONJSA-N 2 0 290.329 2.845 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000415025979 381718288 /nfs/dbraw/zinc/71/82/88/381718288.db2.gz SIEHPJOBGDPTQC-NSHDSACASA-N 2 0 292.814 2.947 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2c1 ZINC000415027016 381720413 /nfs/dbraw/zinc/72/04/13/381720413.db2.gz APYCTACGUNFTLC-DGCLKSJQSA-N 2 0 274.364 2.658 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2s1 ZINC000415028420 381721381 /nfs/dbraw/zinc/72/13/81/381721381.db2.gz CTBCPDOUDSBJEI-YPMHNXCESA-N 2 0 275.421 2.822 20 0 CFADRP COc1ccc2nc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)sc2c1 ZINC000415031540 381722791 /nfs/dbraw/zinc/72/27/91/381722791.db2.gz HAFFNALMZZCBCE-GHMZBOCLSA-N 2 0 291.420 2.522 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415031175 381723281 /nfs/dbraw/zinc/72/32/81/381723281.db2.gz GPETUCGMKZGHEG-HOCLYGCPSA-N 2 0 276.424 2.938 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415035524 381724501 /nfs/dbraw/zinc/72/45/01/381724501.db2.gz KSOJVQGDJRDVJR-MNOVXSKESA-N 2 0 268.788 2.566 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415035877 381724562 /nfs/dbraw/zinc/72/45/62/381724562.db2.gz JFWUGMAGICYZNO-SQNIBIBYSA-N 2 0 288.435 2.599 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415035525 381725006 /nfs/dbraw/zinc/72/50/06/381725006.db2.gz KSOJVQGDJRDVJR-QWRGUYRKSA-N 2 0 268.788 2.566 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415103258 381783569 /nfs/dbraw/zinc/78/35/69/381783569.db2.gz CZKHLXFECACVRJ-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP CC(C)c1nc(CC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000415103383 381783682 /nfs/dbraw/zinc/78/36/82/381783682.db2.gz KBUVTNYBFZTYDC-QWHCGFSZSA-N 2 0 281.469 2.787 20 0 CFADRP COC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCCC1 ZINC000355593451 381786065 /nfs/dbraw/zinc/78/60/65/381786065.db2.gz CJWFQSSDHBCNCV-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000415111619 381786291 /nfs/dbraw/zinc/78/62/91/381786291.db2.gz RHNHUXVWGAOENA-GFCCVEGCSA-N 2 0 267.442 2.541 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CC[NH2+]C1 ZINC000415115279 381788433 /nfs/dbraw/zinc/78/84/33/381788433.db2.gz GVGJXZXNKCPNCB-QAPCUYQASA-N 2 0 287.451 2.513 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH2+]C1 ZINC000415115276 381788512 /nfs/dbraw/zinc/78/85/12/381788512.db2.gz GVGJXZXNKCPNCB-CRAIPNDOSA-N 2 0 287.451 2.513 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415117507 381790218 /nfs/dbraw/zinc/79/02/18/381790218.db2.gz VMRCLJWDFWVGGO-AAEUAGOBSA-N 2 0 268.351 2.800 20 0 CFADRP CC[N@H+](CC[C@H]1CCOC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349010946 381791675 /nfs/dbraw/zinc/79/16/75/381791675.db2.gz QUKRFZYZSWOJDV-SFHVURJKSA-N 2 0 290.451 2.997 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1F ZINC000415121674 381792757 /nfs/dbraw/zinc/79/27/57/381792757.db2.gz ZDLZDEZVDRHBNS-OCCSQVGLSA-N 2 0 250.361 2.754 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415124256 381794635 /nfs/dbraw/zinc/79/46/35/381794635.db2.gz KAPGTHUMWUABMS-VYDXJSESSA-N 2 0 260.425 2.782 20 0 CFADRP COc1cccc(CCC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415075036 381760665 /nfs/dbraw/zinc/76/06/65/381760665.db2.gz DSAVMCJJWLZFCR-ZBFHGGJFSA-N 2 0 276.424 2.606 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000415074896 381760893 /nfs/dbraw/zinc/76/08/93/381760893.db2.gz AMYKCZHODHPXIC-VNHYZAJKSA-N 2 0 262.397 2.514 20 0 CFADRP CC[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)Oc1ccccc1C ZINC000415075405 381761369 /nfs/dbraw/zinc/76/13/69/381761369.db2.gz FDDYUWGKWLZKKB-HOTGVXAUSA-N 2 0 276.424 2.884 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415074827 381761421 /nfs/dbraw/zinc/76/14/21/381761421.db2.gz AWHAGJTTZHCHKA-HOCLYGCPSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)(C)[NH2+]CC[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000415076952 381762671 /nfs/dbraw/zinc/76/26/71/381762671.db2.gz DBDCVBSKQSIBNA-UONOGXRCSA-N 2 0 270.461 2.805 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000355361623 381762714 /nfs/dbraw/zinc/76/27/14/381762714.db2.gz DYQIPWMENSSTFZ-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415076444 381763215 /nfs/dbraw/zinc/76/32/15/381763215.db2.gz GOORDTWDDQGKDT-UMVBOHGHSA-N 2 0 280.387 2.713 20 0 CFADRP CC[C@H](C[NH2+]CC1CC[NH2+]CC1)Oc1ccccc1C ZINC000415078425 381763919 /nfs/dbraw/zinc/76/39/19/381763919.db2.gz IOKIPFWGUKRLLU-MRXNPFEDSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOc1cccc(Cl)c1 ZINC000415079129 381765231 /nfs/dbraw/zinc/76/52/31/381765231.db2.gz HIIARNAPLUAYAE-GXTWGEPZSA-N 2 0 282.815 2.839 20 0 CFADRP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH2+]CC1 ZINC000415080195 381765593 /nfs/dbraw/zinc/76/55/93/381765593.db2.gz LIRBYMYYOPZXPS-ZDUSSCGKSA-N 2 0 294.464 2.765 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+]CC(C)(C)[NH3+] ZINC000415081389 381766309 /nfs/dbraw/zinc/76/63/09/381766309.db2.gz MXHWVSWDFKPCFK-GFCCVEGCSA-N 2 0 282.453 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCC(C)CC2)[C@H](C)C1 ZINC000355413934 381767499 /nfs/dbraw/zinc/76/74/99/381767499.db2.gz DGDHMXYLHSOWDA-GMRIPVOYSA-N 2 0 282.472 2.902 20 0 CFADRP CSc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415083678 381768954 /nfs/dbraw/zinc/76/89/54/381768954.db2.gz NKNLNUOORUUBCH-CYBMUJFWSA-N 2 0 264.438 2.806 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415084007 381769688 /nfs/dbraw/zinc/76/96/88/381769688.db2.gz OOOYFDXYSLMVDI-AEFFLSMTSA-N 3 0 295.515 2.722 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000415083939 381769783 /nfs/dbraw/zinc/76/97/83/381769783.db2.gz OHMYJRSCYPRNQC-GFCCVEGCSA-N 2 0 281.831 2.636 20 0 CFADRP CCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000415083672 381769883 /nfs/dbraw/zinc/76/98/83/381769883.db2.gz NKEHKIGFMBOQPT-UHFFFAOYSA-N 2 0 292.423 2.701 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1C[NH3+] ZINC000415129781 381799490 /nfs/dbraw/zinc/79/94/90/381799490.db2.gz PRLOUNLHXZCDHJ-YOEHRIQHSA-N 2 0 288.435 2.892 20 0 CFADRP CC[C@@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)Oc1ccccc1C ZINC000415087603 381773322 /nfs/dbraw/zinc/77/33/22/381773322.db2.gz WFCBDWGZWPZLTI-DOTOQJQBSA-N 2 0 276.424 2.742 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415131702 381799633 /nfs/dbraw/zinc/79/96/33/381799633.db2.gz ZGPFZDKGLGXQBT-AWEZNQCLSA-N 2 0 261.413 2.611 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccccc2OC2CCC2)CC1 ZINC000415088125 381773485 /nfs/dbraw/zinc/77/34/85/381773485.db2.gz LQELQUQZHLNWHB-UHFFFAOYSA-N 2 0 274.408 2.977 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Cc1cccs1 ZINC000415088665 381774635 /nfs/dbraw/zinc/77/46/35/381774635.db2.gz WPFXRQJJNCZXRI-QWHCGFSZSA-N 2 0 252.427 2.658 20 0 CFADRP COCc1cc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)ccc1F ZINC000415090099 381775224 /nfs/dbraw/zinc/77/52/24/381775224.db2.gz ZUUXIXHSACVLSN-SWLSCSKDSA-N 2 0 280.387 2.592 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415089554 381775766 /nfs/dbraw/zinc/77/57/66/381775766.db2.gz YWOBMPCCPNJTNI-AGIUHOORSA-N 2 0 280.387 2.873 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415096975 381779879 /nfs/dbraw/zinc/77/98/79/381779879.db2.gz CHMZPWGIGGVUQY-NVXWUHKLSA-N 2 0 278.415 2.982 20 0 CFADRP COc1ccsc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000186159154 381837591 /nfs/dbraw/zinc/83/75/91/381837591.db2.gz SFDCMLGEVBBFOA-NEPJUHHUSA-N 2 0 268.426 2.749 20 0 CFADRP COC1(C[NH+]2CCC([NH+]3CCCC3)CC2)CCCCC1 ZINC000361509939 381837951 /nfs/dbraw/zinc/83/79/51/381837951.db2.gz XNQJBHDXHPNQTD-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP Cc1ccc(CCC[N@H+]2CC[C@H](c3nccn3C)C2)cn1 ZINC000349151851 381838079 /nfs/dbraw/zinc/83/80/79/381838079.db2.gz OQTCFXHPWXJPPN-INIZCTEOSA-N 2 0 284.407 2.546 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000343614749 381841973 /nfs/dbraw/zinc/84/19/73/381841973.db2.gz SCECHCFSZADYQE-JKSUJKDBSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCOc3ccccc32)CCN1C ZINC000372399173 381805495 /nfs/dbraw/zinc/80/54/95/381805495.db2.gz CXIYNFUMVMNZDI-OAGGEKHMSA-N 2 0 288.435 2.967 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000356882886 381884080 /nfs/dbraw/zinc/88/40/80/381884080.db2.gz VRFDOZPRDNXIHY-DZJNRPSUSA-N 2 0 288.435 2.522 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)CCC2CC2)CC1 ZINC000186243129 381862314 /nfs/dbraw/zinc/86/23/14/381862314.db2.gz OGJOSKOHJSELPO-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372777095 381866946 /nfs/dbraw/zinc/86/69/46/381866946.db2.gz SFCXOQAUHYFBDN-IXDOHACOSA-N 2 0 280.456 2.822 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](CCCF)CC2)CC1 ZINC000372781764 381868995 /nfs/dbraw/zinc/86/89/95/381868995.db2.gz OCHNYZMGPKEMSO-UHFFFAOYSA-N 2 0 256.409 2.790 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000356847901 381869194 /nfs/dbraw/zinc/86/91/94/381869194.db2.gz OKVDOAWSYDNKPN-CYBMUJFWSA-N 2 0 259.397 2.557 20 0 CFADRP CC[NH+](CC)CCCN1CCC(c2ccccn2)CC1 ZINC000372811092 381874721 /nfs/dbraw/zinc/87/47/21/381874721.db2.gz AKZWUSWXYWMFRA-UHFFFAOYSA-N 2 0 275.440 2.993 20 0 CFADRP c1ccc2c(c1)CO[C@]21CCN(CCC[NH+]2CCCC2)C1 ZINC000186606480 381962656 /nfs/dbraw/zinc/96/26/56/381962656.db2.gz HNKUZLOEWZJWPF-SFHVURJKSA-N 2 0 286.419 2.604 20 0 CFADRP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCOCC[NH3+] ZINC000357026311 381973364 /nfs/dbraw/zinc/97/33/64/381973364.db2.gz IKMHQKPFEPIFDX-NSHDSACASA-N 2 0 290.329 2.674 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000186611092 381963773 /nfs/dbraw/zinc/96/37/73/381963773.db2.gz PNFDYTDQXAFUHP-IAGOWNOFSA-N 2 0 288.435 2.630 20 0 CFADRP Cc1cccc(OCC[N@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373116153 381931493 /nfs/dbraw/zinc/93/14/93/381931493.db2.gz SCLJAAOAUULESS-INIZCTEOSA-N 2 0 299.418 2.987 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(OC)CCCCC2)CC1 ZINC000186510728 381932393 /nfs/dbraw/zinc/93/23/93/381932393.db2.gz VJFJXFJKGOOCPI-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)CCO1 ZINC000356989097 381944440 /nfs/dbraw/zinc/94/44/40/381944440.db2.gz KXUAIIXXJSLBGS-QBPKDAKJSA-N 2 0 282.472 2.996 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000186772784 382008787 /nfs/dbraw/zinc/00/87/87/382008787.db2.gz BUJWXFBAVSJRRI-NQBHXWOUSA-N 2 0 267.442 2.627 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000373468739 382011318 /nfs/dbraw/zinc/01/13/18/382011318.db2.gz WEBOPKVAPRSTRN-XKRIRGRTSA-N 2 0 266.429 2.549 20 0 CFADRP Fc1cccc(F)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357038893 381981971 /nfs/dbraw/zinc/98/19/71/381981971.db2.gz AFBZKHRNXYFYGY-ZDUSSCGKSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000357057660 381991463 /nfs/dbraw/zinc/99/14/63/381991463.db2.gz USGWZWBCODFGHT-SFHVURJKSA-N 2 0 287.451 2.644 20 0 CFADRP COC(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357231993 382069304 /nfs/dbraw/zinc/06/93/04/382069304.db2.gz MBKVJZPKSINLGC-WBVHZDCISA-N 2 0 290.451 2.912 20 0 CFADRP COC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357231991 382069527 /nfs/dbraw/zinc/06/95/27/382069527.db2.gz MBKVJZPKSINLGC-NVXWUHKLSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H](F)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000351734866 382058917 /nfs/dbraw/zinc/05/89/17/382058917.db2.gz KCVLCTSILIGWDV-GUTXKFCHSA-N 2 0 254.393 2.683 20 0 CFADRP CN(CC[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC[N@@H+]1C ZINC000351771765 382061953 /nfs/dbraw/zinc/06/19/53/382061953.db2.gz GSOATHPMCQMKJG-IAGOWNOFSA-N 3 0 281.488 2.667 20 0 CFADRP Cc1sccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000293184877 382023434 /nfs/dbraw/zinc/02/34/34/382023434.db2.gz HNFLAKVMFRJAIL-CYBMUJFWSA-N 2 0 282.453 2.647 20 0 CFADRP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374072254 382033533 /nfs/dbraw/zinc/03/35/33/382033533.db2.gz OEHRGPJAXMJWBF-SJLPKXTDSA-N 2 0 295.515 2.769 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000417320939 382040562 /nfs/dbraw/zinc/04/05/62/382040562.db2.gz KSPAGEAXJMBTEC-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000417320941 382040732 /nfs/dbraw/zinc/04/07/32/382040732.db2.gz KSPAGEAXJMBTEC-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)nc2C)C1 ZINC000187114827 382102448 /nfs/dbraw/zinc/10/24/48/382102448.db2.gz IWQWQZXEIGHAFG-MRXNPFEDSA-N 2 0 275.440 2.862 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375837905 382105311 /nfs/dbraw/zinc/10/53/11/382105311.db2.gz DNVDMXLZULCWIH-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344074844 382110559 /nfs/dbraw/zinc/11/05/59/382110559.db2.gz URYVLBNQYKDKKB-QGZVFWFLSA-N 2 0 291.483 2.871 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000376149368 382121090 /nfs/dbraw/zinc/12/10/90/382121090.db2.gz OBBFOOKMEFAPTO-JCGIZDLHSA-N 2 0 288.435 2.620 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@@H](C)C1 ZINC000376149370 382121337 /nfs/dbraw/zinc/12/13/37/382121337.db2.gz OBBFOOKMEFAPTO-WBAXXEDZSA-N 2 0 288.435 2.620 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344033100 382080423 /nfs/dbraw/zinc/08/04/23/382080423.db2.gz KZBVJEHXRRUZKF-KRWDZBQOSA-N 2 0 294.414 2.761 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1C[C@@H](C2CC2)N(Cc2ccccc2)C1 ZINC000376834045 382182139 /nfs/dbraw/zinc/18/21/39/382182139.db2.gz LQJPRDZAWJAELJ-QGTPRVQTSA-N 2 0 288.435 2.664 20 0 CFADRP COC[C@H](C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187267790 382143010 /nfs/dbraw/zinc/14/30/10/382143010.db2.gz UFOMSIRZSBYLBV-AEFFLSMTSA-N 2 0 290.451 2.723 20 0 CFADRP COC[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187267772 382143044 /nfs/dbraw/zinc/14/30/44/382143044.db2.gz UFOMSIRZSBYLBV-WMZOPIPTSA-N 2 0 290.451 2.723 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000293539588 382163858 /nfs/dbraw/zinc/16/38/58/382163858.db2.gz FWXVGGLKLPWZEL-VNQPRFMTSA-N 2 0 276.424 2.786 20 0 CFADRP C[NH+]1CC[C@@H](NCC[C@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000352099228 382169555 /nfs/dbraw/zinc/16/95/55/382169555.db2.gz FSDMXIWJWAMPHR-KZNAEPCWSA-N 2 0 287.451 2.506 20 0 CFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000301448818 382172000 /nfs/dbraw/zinc/17/20/00/382172000.db2.gz KTMQBRSCODSGNO-CQSZACIVSA-N 2 0 283.350 2.824 20 0 CFADRP c1cc2c(cccc2C[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)[nH]1 ZINC000362720180 382213954 /nfs/dbraw/zinc/21/39/54/382213954.db2.gz STCJMQBJWAHTSG-HOTGVXAUSA-N 2 0 299.418 2.511 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000187572993 382214568 /nfs/dbraw/zinc/21/45/68/382214568.db2.gz AFBZQOJXOKQBTQ-ZDUSSCGKSA-N 2 0 262.397 2.775 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC000344227322 382214738 /nfs/dbraw/zinc/21/47/38/382214738.db2.gz STKDYKFZKOCZRJ-CRAIPNDOSA-N 2 0 289.467 2.568 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000377135233 382223492 /nfs/dbraw/zinc/22/34/92/382223492.db2.gz ZULHCFKRFPWMPO-OWSLCNJRSA-N 2 0 294.483 2.780 20 0 CFADRP COc1ncc([C@H](C)NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000293603758 382192910 /nfs/dbraw/zinc/19/29/10/382192910.db2.gz IXZUHIGHDNQHFO-MNOVXSKESA-N 2 0 285.819 2.592 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000344844535 382276889 /nfs/dbraw/zinc/27/68/89/382276889.db2.gz RVPXSEQMFQJCOM-IRXDYDNUSA-N 2 0 280.456 2.823 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000345052561 382281534 /nfs/dbraw/zinc/28/15/34/382281534.db2.gz XHYJOHWVNWTNOY-DDBAPUKQSA-N 2 0 288.435 2.837 20 0 CFADRP Cc1c2[nH+]c[nH]c2ccc1NCC(C)(C)C[NH+](C)C ZINC001168768565 781973418 /nfs/dbraw/zinc/97/34/18/781973418.db2.gz YTLASTBKOOEIGS-UHFFFAOYSA-N 2 0 260.385 2.871 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377543464 382287521 /nfs/dbraw/zinc/28/75/21/382287521.db2.gz QWBFOPPSJFRVMJ-DLBZAZTESA-N 2 0 273.424 2.539 20 0 CFADRP COC[C@H](C)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000187670862 382240438 /nfs/dbraw/zinc/24/04/38/382240438.db2.gz QMQLYXQFCUTHPL-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CO[C@@H](C)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000363695331 382241994 /nfs/dbraw/zinc/24/19/94/382241994.db2.gz DNUKLWMDIULQED-CKDBGZEDSA-N 2 0 282.472 2.996 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccsc1 ZINC000187701962 382251702 /nfs/dbraw/zinc/25/17/02/382251702.db2.gz UMKABEVZBAFBQE-ZBFHGGJFSA-N 2 0 295.496 2.815 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccsc1 ZINC000187701983 382252003 /nfs/dbraw/zinc/25/20/03/382252003.db2.gz UMKABEVZBAFBQE-GDBMZVCRSA-N 2 0 295.496 2.815 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000363977847 382252856 /nfs/dbraw/zinc/25/28/56/382252856.db2.gz WEGMYKMAKVVBJJ-BZUAXINKSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000344302262 382259637 /nfs/dbraw/zinc/25/96/37/382259637.db2.gz JXNZOFRSLBZSFZ-UHFFFAOYSA-N 2 0 260.425 2.663 20 0 CFADRP CN1CCC[C@@H]1C[NH2+]CCCCCOc1ccccc1 ZINC000187746269 382261206 /nfs/dbraw/zinc/26/12/06/382261206.db2.gz IJLILKJQAVNIJK-MRXNPFEDSA-N 2 0 276.424 2.920 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293749620 382263172 /nfs/dbraw/zinc/26/31/72/382263172.db2.gz RGIQVHVLHHGGNV-QWHCGFSZSA-N 2 0 252.377 2.544 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[NH+]4CCC3CC4)c2c1 ZINC000302786913 382319026 /nfs/dbraw/zinc/31/90/26/382319026.db2.gz WKFLQVSRUJFBGB-UHFFFAOYSA-N 2 0 267.376 2.828 20 0 CFADRP C[N@H+](C[C@H]1CCC=CO1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377688566 382320137 /nfs/dbraw/zinc/32/01/37/382320137.db2.gz CECYEXUPOPUVEB-QGZVFWFLSA-N 2 0 287.407 2.675 20 0 CFADRP C[C@@H](F)CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000352420619 382322285 /nfs/dbraw/zinc/32/22/85/382322285.db2.gz FBNCTAZXZNDZEH-ZBFHGGJFSA-N 2 0 279.403 2.583 20 0 CFADRP Cc1nc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(C)o1 ZINC000357789989 382324000 /nfs/dbraw/zinc/32/40/00/382324000.db2.gz GOTAPYQHNXPJBJ-UHFFFAOYSA-N 2 0 279.428 2.686 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000420298516 382349597 /nfs/dbraw/zinc/34/95/97/382349597.db2.gz HLUIMXGCAUWCGJ-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000420298860 382349789 /nfs/dbraw/zinc/34/97/89/382349789.db2.gz IDBCNEPKDKWDJO-BFYDXBDKSA-N 2 0 282.472 2.543 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000420299653 382350118 /nfs/dbraw/zinc/35/01/18/382350118.db2.gz JEZKRXFLJXRBNN-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420299974 382351296 /nfs/dbraw/zinc/35/12/96/382351296.db2.gz GYBDSINAJKIRQW-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP COCC[N@@H+](CCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420302336 382351348 /nfs/dbraw/zinc/35/13/48/382351348.db2.gz JQXZJPOHSXZGMG-GOSISDBHSA-N 2 0 290.451 2.567 20 0 CFADRP COCC[N@@H+](CCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420302337 382351505 /nfs/dbraw/zinc/35/15/05/382351505.db2.gz JQXZJPOHSXZGMG-SFHVURJKSA-N 2 0 290.451 2.567 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420300445 382351904 /nfs/dbraw/zinc/35/19/04/382351904.db2.gz HKHPABFJNOYBBC-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H](c2ccsc2)O1 ZINC000420301612 382352146 /nfs/dbraw/zinc/35/21/46/382352146.db2.gz LQMGYGKLJOWXCQ-UMVBOHGHSA-N 2 0 280.437 2.510 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000357862518 382354887 /nfs/dbraw/zinc/35/48/87/382354887.db2.gz YNUHSJNCWHEOEF-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC2(C)C)cc1 ZINC000420306021 382355187 /nfs/dbraw/zinc/35/51/87/382355187.db2.gz QHTRKBRYUQWJGW-CQSZACIVSA-N 2 0 262.397 2.612 20 0 CFADRP CC1CCN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000303266333 382356811 /nfs/dbraw/zinc/35/68/11/382356811.db2.gz VTTPFKQXXICCKS-INIZCTEOSA-N 2 0 294.487 2.897 20 0 CFADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420309490 382357106 /nfs/dbraw/zinc/35/71/06/382357106.db2.gz UAPAZCJWJLXWLY-JFIYKMOQSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420309496 382357636 /nfs/dbraw/zinc/35/76/36/382357636.db2.gz UAPAZCJWJLXWLY-SOLBZPMBSA-N 2 0 288.435 2.838 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](C(C)C)C2)cc1 ZINC000420311963 382360131 /nfs/dbraw/zinc/36/01/31/382360131.db2.gz WLZYCNGQIAGCFA-JKSUJKDBSA-N 2 0 276.424 2.715 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390644 382396774 /nfs/dbraw/zinc/39/67/74/382396774.db2.gz ZPGCIZOFZBDSOY-JLSDUUJJSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000363983431 296329097 /nfs/dbraw/zinc/32/90/97/296329097.db2.gz MLUMHBFPTYOMBJ-WBVHZDCISA-N 2 0 294.483 2.782 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420393168 382396851 /nfs/dbraw/zinc/39/68/51/382396851.db2.gz JPIXVTKQRYLKKT-AEFFLSMTSA-N 2 0 288.435 2.838 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000346436092 382361474 /nfs/dbraw/zinc/36/14/74/382361474.db2.gz LNFJLYDGZNESQP-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP CC1CCC([NH+]2CCN(CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420319055 382363947 /nfs/dbraw/zinc/36/39/47/382363947.db2.gz OUNKGSNJWYUWLX-LXPRWKDFSA-N 2 0 293.499 2.572 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420317539 382365128 /nfs/dbraw/zinc/36/51/28/382365128.db2.gz VAALJAYPTMGTQI-LLVKDONJSA-N 2 0 287.329 2.661 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(C)C ZINC000420319233 382365782 /nfs/dbraw/zinc/36/57/82/382365782.db2.gz OZGMTHQXQDBNOO-CABCVRRESA-N 2 0 261.413 2.676 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420321089 382366546 /nfs/dbraw/zinc/36/65/46/382366546.db2.gz QRXOCJZQXKRVGG-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP C(CN1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000420322292 382368792 /nfs/dbraw/zinc/36/87/92/382368792.db2.gz SKVZKQIWKRMRHT-QGZVFWFLSA-N 2 0 293.499 2.574 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCc1cccc(F)c1 ZINC000352503530 382369246 /nfs/dbraw/zinc/36/92/46/382369246.db2.gz HHLWLKMFTBDQQM-MRXNPFEDSA-N 2 0 264.388 2.962 20 0 CFADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420326008 382370429 /nfs/dbraw/zinc/37/04/29/382370429.db2.gz WYDCJWFZDFNPTI-CVEARBPZSA-N 2 0 290.455 2.564 20 0 CFADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420326013 382370906 /nfs/dbraw/zinc/37/09/06/382370906.db2.gz WYDCJWFZDFNPTI-HOTGVXAUSA-N 2 0 290.455 2.564 20 0 CFADRP CC(C)OCCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352505177 382371167 /nfs/dbraw/zinc/37/11/67/382371167.db2.gz YRWADRIOEZOBPY-UHFFFAOYSA-N 2 0 256.434 2.643 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000420328387 382372669 /nfs/dbraw/zinc/37/26/69/382372669.db2.gz MIZFMYLGDIHWGC-IXDOHACOSA-N 2 0 294.483 2.890 20 0 CFADRP Cc1nc(CN(CCC[NH3+])CC2CCCC2)oc1C ZINC000352511584 382374811 /nfs/dbraw/zinc/37/48/11/382374811.db2.gz SMQBJUJDZFOQFK-UHFFFAOYSA-N 2 0 265.401 2.632 20 0 CFADRP CCCCc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420335711 382375165 /nfs/dbraw/zinc/37/51/65/382375165.db2.gz LXOOGKLHSJVAMJ-OKILXGFUSA-N 2 0 293.480 2.917 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338526 382375738 /nfs/dbraw/zinc/37/57/38/382375738.db2.gz RRXPWQQJLUWWAY-VUCTXSBTSA-N 2 0 292.398 2.715 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCC2CCCC2)CC12CCOCC2 ZINC000420338932 382375822 /nfs/dbraw/zinc/37/58/22/382375822.db2.gz YIEPMCOPUCUFCA-INIZCTEOSA-N 2 0 280.456 2.644 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344529 382376399 /nfs/dbraw/zinc/37/63/99/382376399.db2.gz UAYUMRAVWHPFGL-DLBZAZTESA-N 2 0 258.409 2.551 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345469 382377414 /nfs/dbraw/zinc/37/74/14/382377414.db2.gz VMRQTIIRQMNULO-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345467 382377445 /nfs/dbraw/zinc/37/74/45/382377445.db2.gz VMRQTIIRQMNULO-NXOAAHMSSA-N 2 0 280.456 2.513 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356982 382380734 /nfs/dbraw/zinc/38/07/34/382380734.db2.gz DGBBOXBXPLQNIE-SFHVURJKSA-N 2 0 288.435 2.703 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cncc(F)c1)CC1CCCC1 ZINC000352526416 382381420 /nfs/dbraw/zinc/38/14/20/382381420.db2.gz NLBUGKQHLLKNFO-UHFFFAOYSA-N 2 0 265.376 2.562 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526458 382381441 /nfs/dbraw/zinc/38/14/41/382381441.db2.gz NTMACXZBIMCIAC-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP c1cncc(CC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420358478 382382014 /nfs/dbraw/zinc/38/20/14/382382014.db2.gz JBLXSYCAXVWZDU-QGZVFWFLSA-N 2 0 287.451 2.726 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420360188 382383336 /nfs/dbraw/zinc/38/33/36/382383336.db2.gz KRVPUPMMMZOLPR-INIZCTEOSA-N 2 0 260.425 2.769 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352534054 382383422 /nfs/dbraw/zinc/38/34/22/382383422.db2.gz CRBXALLSYZDJCX-HNNXBMFYSA-N 2 0 292.471 2.958 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000372408658 296329367 /nfs/dbraw/zinc/32/93/67/296329367.db2.gz LYOSKYIHUTXDCR-XBVQOTNRSA-N 2 0 294.483 2.779 20 0 CFADRP CC(C)[N@@H+](CCc1nccs1)CCC1CC[NH2+]CC1 ZINC000420363929 382385038 /nfs/dbraw/zinc/38/50/38/382385038.db2.gz QBUCKSFGXHJXIK-UHFFFAOYSA-N 2 0 281.469 2.786 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)c(F)c1 ZINC000420364022 382385613 /nfs/dbraw/zinc/38/56/13/382385613.db2.gz CKPMWTNBKUOEBE-LLVKDONJSA-N 2 0 270.779 2.911 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414827711 296329436 /nfs/dbraw/zinc/32/94/36/296329436.db2.gz HOSVXCRDCFMANX-NUJGCVRESA-N 3 0 293.499 2.619 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420367751 382389748 /nfs/dbraw/zinc/38/97/48/382389748.db2.gz VZKSGHXJERICMJ-FUHWJXTLSA-N 2 0 287.451 2.953 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370382 382391258 /nfs/dbraw/zinc/39/12/58/382391258.db2.gz LIAKKKVYWWRZIK-SFHVURJKSA-N 2 0 288.435 2.839 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420376431 382392337 /nfs/dbraw/zinc/39/23/37/382392337.db2.gz JVQKBDMNELRXOT-GDBMZVCRSA-N 2 0 276.424 2.545 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000420375838 382392660 /nfs/dbraw/zinc/39/26/60/382392660.db2.gz PVHOKKKVLYMJJK-ZDUSSCGKSA-N 2 0 289.423 2.685 20 0 CFADRP c1ccc2c(c1)CCN2C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420380448 382394130 /nfs/dbraw/zinc/39/41/30/382394130.db2.gz WSBASDRKKPHFGD-INIZCTEOSA-N 2 0 299.462 2.513 20 0 CFADRP c1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420380576 382394504 /nfs/dbraw/zinc/39/45/04/382394504.db2.gz CFMHCWCUNSOYQK-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420378447 382394761 /nfs/dbraw/zinc/39/47/61/382394761.db2.gz UJMXFQOFMXDWCC-VXGBXAGGSA-N 2 0 284.350 2.938 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000294138469 382430230 /nfs/dbraw/zinc/43/02/30/382430230.db2.gz HIEFOUXHJBSRKK-HOCLYGCPSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H]1C[NH+](CCCNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000346597994 382430570 /nfs/dbraw/zinc/43/05/70/382430570.db2.gz AJZMAQVWHLDQMS-GJZGRUSLSA-N 2 0 299.418 2.568 20 0 CFADRP Cc1[nH+]ccc(NC2CCC([NH+](C)C)CC2)c1Cl ZINC000420628662 382434598 /nfs/dbraw/zinc/43/45/98/382434598.db2.gz PVDYAJXQOXCBSP-UHFFFAOYSA-N 2 0 267.804 2.750 20 0 CFADRP Clc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccn1 ZINC000365733135 382436085 /nfs/dbraw/zinc/43/60/85/382436085.db2.gz GNNOBWBOUFVRMB-CQSZACIVSA-N 2 0 289.766 2.783 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000358068199 382437147 /nfs/dbraw/zinc/43/71/47/382437147.db2.gz YTSCLLVVKYLDGC-MAUKXSAKSA-N 2 0 289.467 2.567 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000358090763 382448475 /nfs/dbraw/zinc/44/84/75/382448475.db2.gz UISMEKDYTFWIAC-IUODEOHRSA-N 2 0 282.815 2.649 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401746 382399849 /nfs/dbraw/zinc/39/98/49/382399849.db2.gz JHWKRLWTOQHZEF-GDBMZVCRSA-N 2 0 276.424 2.545 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420405836 382400229 /nfs/dbraw/zinc/40/02/29/382400229.db2.gz MZHMMXXNAIULQX-WDEREUQCSA-N 2 0 288.313 2.845 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000420406740 382401661 /nfs/dbraw/zinc/40/16/61/382401661.db2.gz NXUNBSPRRONXES-BQFCYCMXSA-N 2 0 288.435 2.744 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420409734 382402044 /nfs/dbraw/zinc/40/20/44/382402044.db2.gz QPNPIQTVFUPBPQ-TZMCWYRMSA-N 2 0 264.438 2.825 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@@H](C)C1 ZINC000358017034 382410251 /nfs/dbraw/zinc/41/02/51/382410251.db2.gz NYNCRDYICMZHPP-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000294097798 382414338 /nfs/dbraw/zinc/41/43/38/382414338.db2.gz FBOJHDZVVAGOTH-AWEZNQCLSA-N 2 0 288.435 2.930 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378184683 382414517 /nfs/dbraw/zinc/41/45/17/382414517.db2.gz VVJOHZADJWYYBK-MRXNPFEDSA-N 2 0 295.515 2.817 20 0 CFADRP CC1(C)CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000346562699 382414871 /nfs/dbraw/zinc/41/48/71/382414871.db2.gz QXCCLMHPIMEEJG-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000365583809 382416916 /nfs/dbraw/zinc/41/69/16/382416916.db2.gz ZIMXIPYDATYINN-CJNGLKHVSA-N 2 0 287.432 2.978 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352701606 382449238 /nfs/dbraw/zinc/44/92/38/382449238.db2.gz LFVJPTAXILMDJX-UHFFFAOYSA-N 2 0 256.434 2.652 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000346643352 382452146 /nfs/dbraw/zinc/45/21/46/382452146.db2.gz CWIBIJFSGORWOA-KOLCDFICSA-N 2 0 288.313 2.596 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000346652288 382455859 /nfs/dbraw/zinc/45/58/59/382455859.db2.gz QIVZNVNJCKFZQA-GXTWGEPZSA-N 2 0 287.432 2.979 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000188715494 382463429 /nfs/dbraw/zinc/46/34/29/382463429.db2.gz MGWWGGAKUGUPLH-JSGCOSHPSA-N 2 0 298.377 2.903 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000346689072 382472782 /nfs/dbraw/zinc/47/27/82/382472782.db2.gz YROAPXKNFCXCNR-HNNXBMFYSA-N 2 0 294.439 2.899 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000346691099 382474684 /nfs/dbraw/zinc/47/46/84/382474684.db2.gz VEOHAMHETYZXCM-DZGCQCFKSA-N 2 0 274.408 2.645 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000352807753 382477087 /nfs/dbraw/zinc/47/70/87/382477087.db2.gz AARNQKVCGLYSPG-DOTOQJQBSA-N 2 0 294.483 2.804 20 0 CFADRP CCCOc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346693918 382478126 /nfs/dbraw/zinc/47/81/26/382478126.db2.gz QOKJXKAPGOGROC-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000366164265 382479172 /nfs/dbraw/zinc/47/91/72/382479172.db2.gz MWBOPXCAVDBUTG-ROUUACIJSA-N 2 0 293.499 2.811 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346820180 382529096 /nfs/dbraw/zinc/52/90/96/382529096.db2.gz JNMFFNOHIRETIR-PBHICJAKSA-N 2 0 274.408 2.832 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@H]2C)cc1F ZINC000346807620 382522948 /nfs/dbraw/zinc/52/29/48/382522948.db2.gz TYHXBGJUPBSTEK-HUBLWGQQSA-N 2 0 280.387 2.968 20 0 CFADRP CCC[C@H](C)C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353194977 382525419 /nfs/dbraw/zinc/52/54/19/382525419.db2.gz QKWZZVZRFSLLRH-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP c1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346813240 382526109 /nfs/dbraw/zinc/52/61/09/382526109.db2.gz AHBONRJTNAQNSS-HOCLYGCPSA-N 2 0 276.449 2.776 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C\c3ccc(F)cc3)C[C@H]21 ZINC000346816944 382527019 /nfs/dbraw/zinc/52/70/19/382527019.db2.gz BHGVZAVWIOEFPU-VYOLUMPPSA-N 2 0 274.383 2.898 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C\c3ccc(F)cc3)C[C@@H]21 ZINC000346816936 382527109 /nfs/dbraw/zinc/52/71/09/382527109.db2.gz BHGVZAVWIOEFPU-JWTNUXLSSA-N 2 0 274.383 2.898 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381997393 382527916 /nfs/dbraw/zinc/52/79/16/382527916.db2.gz XXMGSBQOWDMKNQ-FRRDWIJNSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379633360 382508173 /nfs/dbraw/zinc/50/81/73/382508173.db2.gz OQCDOXZDSRSMGD-HOTGVXAUSA-N 3 0 277.456 2.614 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000379896383 382509571 /nfs/dbraw/zinc/50/95/71/382509571.db2.gz HHOWJLIYNTXOQP-ZIAGYGMSSA-N 2 0 297.240 2.851 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000421384972 382514947 /nfs/dbraw/zinc/51/49/47/382514947.db2.gz QABCJIXIWHCEDI-CQSZACIVSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000346799827 382516999 /nfs/dbraw/zinc/51/69/99/382516999.db2.gz OOKOAXBQQYLWJF-ZYHUDNBSSA-N 2 0 286.341 2.719 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801548 382519560 /nfs/dbraw/zinc/51/95/60/382519560.db2.gz SQTNLKLVDGEOQE-MFKMUULPSA-N 2 0 286.341 2.576 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000358236320 382519548 /nfs/dbraw/zinc/51/95/48/382519548.db2.gz ZWWFDBOFEHSRHV-KBXCAEBGSA-N 2 0 272.436 2.864 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000383009683 382539284 /nfs/dbraw/zinc/53/92/84/382539284.db2.gz AUZCNRUWIANFOF-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP COc1c(C)cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1C ZINC000346844669 382541601 /nfs/dbraw/zinc/54/16/01/382541601.db2.gz JKONTIOFYNYMNU-OAHLLOKOSA-N 2 0 276.424 2.743 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346846547 382542909 /nfs/dbraw/zinc/54/29/09/382542909.db2.gz LLWVKEIIAXDMBE-GOEBONIOSA-N 2 0 274.408 2.832 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346847556 382543001 /nfs/dbraw/zinc/54/30/01/382543001.db2.gz CWTMOOICKCAXOC-JQHSSLGASA-N 2 0 288.435 2.891 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346847557 382543121 /nfs/dbraw/zinc/54/31/21/382543121.db2.gz CWTMOOICKCAXOC-RYQLBKOJSA-N 2 0 288.435 2.891 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353405305 382543706 /nfs/dbraw/zinc/54/37/06/382543706.db2.gz RPHAVCCHKKHWMO-HSBZDZAISA-N 2 0 284.444 2.569 20 0 CFADRP CC(C)CN1CCCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000358338948 382575977 /nfs/dbraw/zinc/57/59/77/382575977.db2.gz HWFCGWLDIWUZQD-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346851340 382544107 /nfs/dbraw/zinc/54/41/07/382544107.db2.gz JCBFFGRAQKCNAW-CGTJXYLNSA-N 2 0 288.435 2.891 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000383474888 382544957 /nfs/dbraw/zinc/54/49/57/382544957.db2.gz CYKDMPLOUWPMNY-RWMBFGLXSA-N 2 0 258.356 2.542 20 0 CFADRP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000346858947 382547106 /nfs/dbraw/zinc/54/71/06/382547106.db2.gz HLDGBHARBPWXMZ-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358293741 382552295 /nfs/dbraw/zinc/55/22/95/382552295.db2.gz BMTSEZKJXRESKV-PBHICJAKSA-N 2 0 276.424 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000346869188 382553287 /nfs/dbraw/zinc/55/32/87/382553287.db2.gz TZODCSRKCQTIRE-FPCVCCKLSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)[C@H](C)C1 ZINC000358300020 382554990 /nfs/dbraw/zinc/55/49/90/382554990.db2.gz LJRJILMLVCFTBT-CXAGYDPISA-N 2 0 274.408 2.537 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@@H](C)O1 ZINC000384683618 382556243 /nfs/dbraw/zinc/55/62/43/382556243.db2.gz FBWLBYSQJYZJCG-IIAWOOMASA-N 2 0 268.445 2.797 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CN(C)C[C@@H]2C)c(C)s1 ZINC000358334645 382573683 /nfs/dbraw/zinc/57/36/83/382573683.db2.gz ZIIUEVMZTGDNDF-NURSFMCSSA-N 2 0 252.427 2.966 20 0 CFADRP CCOC1CC(CC[NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000189247713 382573827 /nfs/dbraw/zinc/57/38/27/382573827.db2.gz FEKDIVMMUKYYJB-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346823807 382530787 /nfs/dbraw/zinc/53/07/87/382530787.db2.gz FVHDWSCPPSMJSZ-AEGPPILISA-N 2 0 293.480 2.901 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353255225 382531059 /nfs/dbraw/zinc/53/10/59/382531059.db2.gz WPZSJCQURFTBRU-BFHYXJOUSA-N 2 0 259.397 2.849 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000353279224 382532917 /nfs/dbraw/zinc/53/29/17/382532917.db2.gz QXQXSIUZHXWBER-ZACQAIPSSA-N 2 0 292.467 2.677 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346837494 382536166 /nfs/dbraw/zinc/53/61/66/382536166.db2.gz VTNAXYVBNXVAJV-UHFFFAOYSA-N 2 0 287.451 2.818 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Cl ZINC000346840713 382537752 /nfs/dbraw/zinc/53/77/52/382537752.db2.gz GGXSLOFRTWITJS-YDHLFZDLSA-N 2 0 264.800 2.818 20 0 CFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386133962 382583723 /nfs/dbraw/zinc/58/37/23/382583723.db2.gz PIJITUPLFMJIKS-XHSDSOJGSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000353624712 382584266 /nfs/dbraw/zinc/58/42/66/382584266.db2.gz UUCHHADVCUGQNI-TWMKSMIVSA-N 2 0 294.483 2.638 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)[C@H]2CCC[C@H]21 ZINC000353631862 382587590 /nfs/dbraw/zinc/58/75/90/382587590.db2.gz NEEDUHHXZWEESG-IXDOHACOSA-N 2 0 298.434 2.568 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000358363147 382588334 /nfs/dbraw/zinc/58/83/34/382588334.db2.gz GCVXXMBDFFFIMB-MGPQQGTHSA-N 2 0 258.475 2.694 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC000346967502 382591330 /nfs/dbraw/zinc/59/13/30/382591330.db2.gz JLIZJLYNKRUNOU-SFHVURJKSA-N 2 0 294.483 2.857 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353643945 382592139 /nfs/dbraw/zinc/59/21/39/382592139.db2.gz LLNGRYQJCIYMQQ-MSQAHXEGSA-N 2 0 291.439 2.857 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cn[nH]c3)CC2)C1 ZINC000353651870 382594719 /nfs/dbraw/zinc/59/47/19/382594719.db2.gz UPPLKQRVIPVPGW-RHSMWYFYSA-N 2 0 290.455 2.585 20 0 CFADRP CC(C)CSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358380687 382594768 /nfs/dbraw/zinc/59/47/68/382594768.db2.gz LODUPAZSVKPRBB-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1nc(C[NH2+]C(C)(C)CCC[NH+](C)C)cs1 ZINC000387336251 382597971 /nfs/dbraw/zinc/59/79/71/382597971.db2.gz PFUCMTFKAAWNDU-UHFFFAOYSA-N 2 0 255.431 2.662 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CC)CC2)[C@@H](C)C1 ZINC000358397854 382599988 /nfs/dbraw/zinc/59/99/88/382599988.db2.gz ISNBTRGLUPPFMA-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCCCC1 ZINC000353673517 382602263 /nfs/dbraw/zinc/60/22/63/382602263.db2.gz QGBJBNAWOLNZEH-TVFCKZIOSA-N 2 0 293.499 2.713 20 0 CFADRP CCOCCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000388310078 382604944 /nfs/dbraw/zinc/60/49/44/382604944.db2.gz TXMLCQBKXLVIQB-HUUCEWRRSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)COCc1ccccc1 ZINC000389945236 382616797 /nfs/dbraw/zinc/61/67/97/382616797.db2.gz SYRMGECYVNCHDP-LSDHHAIUSA-N 2 0 264.413 2.556 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCOCc1ccccc1 ZINC000389949681 382616806 /nfs/dbraw/zinc/61/68/06/382616806.db2.gz RYXDUKHZCAENRX-HUUCEWRRSA-N 2 0 264.413 2.699 20 0 CFADRP CC(C)OC1CC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000189521923 382619983 /nfs/dbraw/zinc/61/99/83/382619983.db2.gz LJENKRIEUDEZMK-QQFBHYJXSA-N 2 0 268.445 2.654 20 0 CFADRP CCCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000392237853 382621621 /nfs/dbraw/zinc/62/16/21/382621621.db2.gz HMYGFOALZXDQHQ-UHFFFAOYSA-N 2 0 274.408 2.827 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000394634780 382628040 /nfs/dbraw/zinc/62/80/40/382628040.db2.gz QOEMOSASJVQKNM-FXUDXRNXSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386134745 382583562 /nfs/dbraw/zinc/58/35/62/382583562.db2.gz PMMOTNKTKFMUAH-DOTOQJQBSA-N 2 0 281.488 2.761 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CC[NH+](C)CC1 ZINC000353624444 382583585 /nfs/dbraw/zinc/58/35/85/382583585.db2.gz QSICZASBZNCHRL-KBPBESRZSA-N 2 0 268.470 2.592 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000190629488 382675873 /nfs/dbraw/zinc/67/58/73/382675873.db2.gz FLEAIRQBTPREPW-WBVHZDCISA-N 2 0 282.472 2.591 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191185438 382694875 /nfs/dbraw/zinc/69/48/75/382694875.db2.gz TUMFYRPDQOYSFU-DZGCQCFKSA-N 2 0 278.444 2.765 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268457 382697481 /nfs/dbraw/zinc/69/74/81/382697481.db2.gz XAVUXGASNAYBBO-ZDUSSCGKSA-N 2 0 278.444 2.765 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000191522430 382701136 /nfs/dbraw/zinc/70/11/36/382701136.db2.gz STSBYUQEZJWDAD-SJORKVTESA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000191517128 382701152 /nfs/dbraw/zinc/70/11/52/382701152.db2.gz IPQCYNFMWSBTIR-UHFFFAOYSA-N 2 0 282.378 2.970 20 0 CFADRP Clc1ccsc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000193007482 382714480 /nfs/dbraw/zinc/71/44/80/382714480.db2.gz MIPJPRYNTGESGI-UHFFFAOYSA-N 2 0 288.844 2.604 20 0 CFADRP C[C@@H]([NH3+])CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000193299689 382718380 /nfs/dbraw/zinc/71/83/80/382718380.db2.gz RPKNUZWETCMSIH-CQSZACIVSA-N 2 0 289.423 2.738 20 0 CFADRP CSC1(C[NH2+]Cc2cccc3nccn32)CCC1 ZINC000193642698 382721795 /nfs/dbraw/zinc/72/17/95/382721795.db2.gz UAOGVJYISRVYDM-UHFFFAOYSA-N 2 0 261.394 2.710 20 0 CFADRP Cc1noc(C)c1CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000336825513 382723270 /nfs/dbraw/zinc/72/32/70/382723270.db2.gz YXVQXMFEVZCHHO-UHFFFAOYSA-N 2 0 279.428 2.639 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(SC)cc1OC ZINC000575046622 382724534 /nfs/dbraw/zinc/72/45/34/382724534.db2.gz XHRWFQXIQWSHIT-QWRGUYRKSA-N 2 0 298.452 2.641 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000336828768 382725201 /nfs/dbraw/zinc/72/52/01/382725201.db2.gz AIUBBIANPRSATJ-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3(O)CCCC3)C2)CC1 ZINC000336837425 382729646 /nfs/dbraw/zinc/72/96/46/382729646.db2.gz DVMMKOMJVMRMRL-QGZVFWFLSA-N 2 0 294.483 2.735 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000336839534 382731078 /nfs/dbraw/zinc/73/10/78/382731078.db2.gz OWFHHHYMNQTSPB-STQMWFEESA-N 2 0 280.412 2.872 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000193983988 382731330 /nfs/dbraw/zinc/73/13/30/382731330.db2.gz YPUJTMMUKYZWSL-QBPKDAKJSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(O)CCCC2)C1 ZINC000336840847 382731555 /nfs/dbraw/zinc/73/15/55/382731555.db2.gz NNCQLURMBLNPLA-IAGOWNOFSA-N 2 0 294.483 2.878 20 0 CFADRP CC(C)n1ccc(CN2CC[C@H](Oc3ccncc3)C2)n1 ZINC000336841488 382731767 /nfs/dbraw/zinc/73/17/67/382731767.db2.gz OOUBJYWQDJMABU-INIZCTEOSA-N 2 0 286.379 2.512 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220337557 382795672 /nfs/dbraw/zinc/79/56/72/382795672.db2.gz FLWAIEXGGNGGNS-JQWIXIFHSA-N 2 0 288.313 2.754 20 0 CFADRP CC(C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000202481471 382773054 /nfs/dbraw/zinc/77/30/54/382773054.db2.gz AEOUOMBYBGAJDV-QGZVFWFLSA-N 2 0 258.409 2.993 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337211274 382778218 /nfs/dbraw/zinc/77/82/18/382778218.db2.gz AIJJKNHTVNOMOO-AEFFLSMTSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000337267500 382789557 /nfs/dbraw/zinc/78/95/57/382789557.db2.gz WLHOVGFRMZDVKI-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP C=Cn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000194309678 382740230 /nfs/dbraw/zinc/74/02/30/382740230.db2.gz NJCPIIZOSFTSOZ-UHFFFAOYSA-N 2 0 276.428 2.729 20 0 CFADRP c1cc(N2CCC(C[NH2+]C[C@H]3CCC=CO3)CC2)cc[nH+]1 ZINC000194540935 382747713 /nfs/dbraw/zinc/74/77/13/382747713.db2.gz KLEWGHHYUOSBIA-QGZVFWFLSA-N 2 0 287.407 2.580 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000195049515 382760284 /nfs/dbraw/zinc/76/02/84/382760284.db2.gz FDESOSREOVPHFL-ZQIUZPCESA-N 2 0 285.391 2.948 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000577069123 382847116 /nfs/dbraw/zinc/84/71/16/382847116.db2.gz CPZKFYSXKRHHAX-UHFFFAOYSA-N 2 0 252.324 2.780 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228474175 382847215 /nfs/dbraw/zinc/84/72/15/382847215.db2.gz NAGYWFSFJVEXRM-GVDBMIGSSA-N 2 0 258.409 2.863 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000577094540 382847575 /nfs/dbraw/zinc/84/75/75/382847575.db2.gz MTUYHVUUSRONAJ-OAHLLOKOSA-N 2 0 265.376 2.507 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@H]([NH3+])C[C@H]2C)o1 ZINC000577122858 382848729 /nfs/dbraw/zinc/84/87/29/382848729.db2.gz ZHTCDZSGOJZYRB-KGLIPLIRSA-N 2 0 285.391 2.962 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000577161694 382849505 /nfs/dbraw/zinc/84/95/05/382849505.db2.gz CRQQBYFZVOONHV-ARFHVFGLSA-N 2 0 279.472 2.548 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000575744670 382798000 /nfs/dbraw/zinc/79/80/00/382798000.db2.gz FFSQKAYBWUDOAF-IRXDYDNUSA-N 2 0 291.439 2.863 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000337323295 382801482 /nfs/dbraw/zinc/80/14/82/382801482.db2.gz AGSOWIBZMAHTDN-CQSZACIVSA-N 2 0 264.413 2.651 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000337326469 382802268 /nfs/dbraw/zinc/80/22/68/382802268.db2.gz CKZQSHAXBOIXQE-ZDUSSCGKSA-N 2 0 256.434 2.652 20 0 CFADRP CCC[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000337327239 382802281 /nfs/dbraw/zinc/80/22/81/382802281.db2.gz XDWQXDKDANQEFL-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000337327869 382802740 /nfs/dbraw/zinc/80/27/40/382802740.db2.gz DLHHIJASQVUHQS-OAGGEKHMSA-N 2 0 270.461 2.758 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222950615 382803850 /nfs/dbraw/zinc/80/38/50/382803850.db2.gz FRRIHKMRDIFPIG-UHTWSYAYSA-N 2 0 266.360 2.755 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC000575970963 382805929 /nfs/dbraw/zinc/80/59/29/382805929.db2.gz TYIYFEMETCZCNI-CMPLNLGQSA-N 2 0 254.324 2.572 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337345504 382807000 /nfs/dbraw/zinc/80/70/00/382807000.db2.gz VFSCKGVDUPIAFJ-DLBZAZTESA-N 2 0 288.435 2.974 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000337379197 382812145 /nfs/dbraw/zinc/81/21/45/382812145.db2.gz CKFRZDFRDDGBEW-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]CCOCC[NH2+][C@H]1CCC1(C)C ZINC000576169562 382812677 /nfs/dbraw/zinc/81/26/77/382812677.db2.gz KRTDWTVSMPYWGF-KBPBESRZSA-N 2 0 268.445 2.559 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000337390085 382814779 /nfs/dbraw/zinc/81/47/79/382814779.db2.gz KLJSSEPRINTDGW-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)oc1C ZINC000337403942 382815847 /nfs/dbraw/zinc/81/58/47/382815847.db2.gz KZKLDCKVCGCOMD-GJZGRUSLSA-N 2 0 293.455 2.573 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NCc1ccncc1OCc1ccccc1 ZINC000576386373 382820878 /nfs/dbraw/zinc/82/08/78/382820878.db2.gz JBPSLUCOAYNEMM-SJORKVTESA-N 2 0 297.402 2.630 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000226314652 382826249 /nfs/dbraw/zinc/82/62/49/382826249.db2.gz WYQRXIHGHKSTRU-KFWWJZLASA-N 2 0 279.453 2.504 20 0 CFADRP CCN(Cc1c(F)cccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226437472 382828973 /nfs/dbraw/zinc/82/89/73/382828973.db2.gz SMEXVFVAMXFFOG-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000576694685 382832409 /nfs/dbraw/zinc/83/24/09/382832409.db2.gz LECHFEALJNWVRN-ZDUSSCGKSA-N 2 0 252.377 2.736 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)nn1C ZINC000337514310 382835654 /nfs/dbraw/zinc/83/56/54/382835654.db2.gz KVOOVINLYUDMNU-ZBFHGGJFSA-N 2 0 292.471 2.891 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337538867 382839208 /nfs/dbraw/zinc/83/92/08/382839208.db2.gz HQCGRCLIWNBCSZ-STQMWFEESA-N 2 0 276.371 2.611 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000337551521 382840536 /nfs/dbraw/zinc/84/05/36/382840536.db2.gz OVCXTDNJNMWPFV-CJNGLKHVSA-N 2 0 271.408 2.640 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CCOC)C(C)(C)C)CC1 ZINC000338019064 382904110 /nfs/dbraw/zinc/90/41/10/382904110.db2.gz OHCHEYNVKQVDMA-HNNXBMFYSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H]1CCC[C@@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441332326 382907290 /nfs/dbraw/zinc/90/72/90/382907290.db2.gz QGLOSUKVFRLLKL-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CCSCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230031577 382855346 /nfs/dbraw/zinc/85/53/46/382855346.db2.gz LICVBBQSGUNLLG-UHFFFAOYSA-N 2 0 252.427 2.591 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000577484383 382860608 /nfs/dbraw/zinc/86/06/08/382860608.db2.gz QPBOTWZWECWEHM-WHCBVINPSA-N 2 0 273.424 2.936 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422878498 532959418 /nfs/dbraw/zinc/95/94/18/532959418.db2.gz KAZSONPVBZFIRV-IUODEOHRSA-N 2 0 264.438 2.886 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(n1)CCC2 ZINC000577705275 382868072 /nfs/dbraw/zinc/86/80/72/382868072.db2.gz ZZAFGIUPZDQBCE-KRWDZBQOSA-N 2 0 287.451 2.877 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000232923408 382870477 /nfs/dbraw/zinc/87/04/77/382870477.db2.gz PNHGARRDOCTBTP-HUUCEWRRSA-N 2 0 260.381 2.538 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337984862 382887916 /nfs/dbraw/zinc/88/79/16/382887916.db2.gz CCIDAMISNZQCJO-HUUCEWRRSA-N 2 0 254.393 2.756 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000578127343 382892538 /nfs/dbraw/zinc/89/25/38/382892538.db2.gz PBMUVEUJSSKQFJ-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337995463 382894134 /nfs/dbraw/zinc/89/41/34/382894134.db2.gz MULFIVFCEWOCRR-ZACQAIPSSA-N 2 0 299.478 2.520 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000338012357 382901475 /nfs/dbraw/zinc/90/14/75/382901475.db2.gz QIKSSQZIPNDRON-ULQDDVLXSA-N 2 0 286.419 2.597 20 0 CFADRP CC[C@@H](CN(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000578679554 382944212 /nfs/dbraw/zinc/94/42/12/382944212.db2.gz INRHXNQNGRBKSN-KRWDZBQOSA-N 2 0 291.483 2.605 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927376 532964166 /nfs/dbraw/zinc/96/41/66/532964166.db2.gz GJNXPOFHFBWYJT-MNOVXSKESA-N 2 0 290.329 2.843 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442709043 382946978 /nfs/dbraw/zinc/94/69/78/382946978.db2.gz NAWVEGUVFQSPRG-PNESKVBLSA-N 2 0 260.372 2.742 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C/C=C/c2ccncc2)C1 ZINC000494990442 382950478 /nfs/dbraw/zinc/95/04/78/382950478.db2.gz AEZIPQKGDCWNEK-RTRPANQVSA-N 2 0 273.424 2.759 20 0 CFADRP C[N@H+](Cc1ccccc1NC(=O)CC[NH3+])C1CCCCC1 ZINC000237166718 382951294 /nfs/dbraw/zinc/95/12/94/382951294.db2.gz LNHHUGSUWZXZGW-UHFFFAOYSA-N 2 0 289.423 2.738 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000442751152 382951572 /nfs/dbraw/zinc/95/15/72/382951572.db2.gz BRWZSPVCSXENFS-STQMWFEESA-N 2 0 282.815 2.778 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000495060061 382956204 /nfs/dbraw/zinc/95/62/04/382956204.db2.gz PXZVDBSDWJEPKF-CKEIUWERSA-N 2 0 273.424 2.932 20 0 CFADRP C[C@@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000578824780 382956568 /nfs/dbraw/zinc/95/65/68/382956568.db2.gz TYCOYWYLBJJULT-ZIAGYGMSSA-N 2 0 288.439 2.680 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000578359646 382914101 /nfs/dbraw/zinc/91/41/01/382914101.db2.gz OANRKWCSCIMRHY-MJBXVCDLSA-N 2 0 292.448 2.789 20 0 CFADRP Cc1cc(C)c(NC(=O)NCCC[NH+]2CCCC2)c(C)n1 ZINC000455489089 382921862 /nfs/dbraw/zinc/92/18/62/382921862.db2.gz VHIKLYWEBLDOMF-UHFFFAOYSA-N 2 0 290.411 2.614 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)[C@H]1CCC[NH2+]C1 ZINC000578878048 382962878 /nfs/dbraw/zinc/96/28/78/382962878.db2.gz APYGQKPTYQLVCK-PMPSAXMXSA-N 2 0 298.434 2.911 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(C)o1 ZINC000578482643 382924348 /nfs/dbraw/zinc/92/43/48/382924348.db2.gz GSWATCCVHQQZRS-HOCLYGCPSA-N 2 0 294.439 2.784 20 0 CFADRP CCc1cccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000578514210 382927302 /nfs/dbraw/zinc/92/73/02/382927302.db2.gz GDKDCGJUDGVMEN-CQSZACIVSA-N 2 0 255.365 2.619 20 0 CFADRP C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccncc1Cl ZINC000421800504 382928395 /nfs/dbraw/zinc/92/83/95/382928395.db2.gz HTEIIHHIPGXGAX-LLVKDONJSA-N 2 0 269.820 2.973 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccncc1Cl ZINC000421826586 382935011 /nfs/dbraw/zinc/93/50/11/382935011.db2.gz TWJGWRVGFAZCKG-NSHDSACASA-N 2 0 267.804 2.727 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000578977071 382971647 /nfs/dbraw/zinc/97/16/47/382971647.db2.gz KISBUGOXJGGKOC-IRXDYDNUSA-N 2 0 296.418 2.751 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000422704885 382974551 /nfs/dbraw/zinc/97/45/51/382974551.db2.gz QNDMLCUGYYQFDX-SJORKVTESA-N 2 0 260.425 2.953 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000579004208 382974577 /nfs/dbraw/zinc/97/45/77/382974577.db2.gz GGOVARSWAMKFIF-YYIAUSFCSA-N 2 0 274.408 2.766 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000422769783 382979632 /nfs/dbraw/zinc/97/96/32/382979632.db2.gz PPAAGIIBGYEHAV-FXUDXRNXSA-N 2 0 282.472 2.804 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCC(C)CC1 ZINC000422794111 382981434 /nfs/dbraw/zinc/98/14/34/382981434.db2.gz YPQAXTAAEZZNRQ-OLMNPRSZSA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422833409 382982287 /nfs/dbraw/zinc/98/22/87/382982287.db2.gz GTRKUMDQEHRCPZ-ZOWXZIJZSA-N 2 0 264.438 2.732 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422859034 382983526 /nfs/dbraw/zinc/98/35/26/382983526.db2.gz JLPHFIYMJJDKGS-HSFUPAIVSA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422855832 382983661 /nfs/dbraw/zinc/98/36/61/382983661.db2.gz FIKOVRLCEPUTMG-QAPCUYQASA-N 2 0 289.467 2.757 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c2ccccc21 ZINC000422882807 382985968 /nfs/dbraw/zinc/98/59/68/382985968.db2.gz BAKPBPCCNSQREU-JZAWBGDQSA-N 2 0 272.392 2.678 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422966576 382989976 /nfs/dbraw/zinc/98/99/76/382989976.db2.gz NTFVGHQRGHYURG-KCPJHIHWSA-N 2 0 278.371 2.756 20 0 CFADRP Oc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422973312 382991616 /nfs/dbraw/zinc/99/16/16/382991616.db2.gz OARHSLYATCCVGX-IXDOHACOSA-N 2 0 288.435 2.835 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422975184 382992284 /nfs/dbraw/zinc/99/22/84/382992284.db2.gz BGJGCZYNIMLLSM-LAVFITLUSA-N 2 0 288.435 2.964 20 0 CFADRP C[C@@H]([NH2+]CCOc1cccc(C(C)(C)C)c1)C1C[NH2+]C1 ZINC000422976635 382992924 /nfs/dbraw/zinc/99/29/24/382992924.db2.gz DJEZXYWQWRDYOK-CYBMUJFWSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422974713 382993025 /nfs/dbraw/zinc/99/30/25/382993025.db2.gz RTSHYVYMSTWRQW-GJZGRUSLSA-N 2 0 299.418 2.876 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422981405 382994980 /nfs/dbraw/zinc/99/49/80/382994980.db2.gz SOYQPULPAANIOA-SZMVWBNQSA-N 2 0 292.467 2.722 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422982828 382995273 /nfs/dbraw/zinc/99/52/73/382995273.db2.gz RPDIBQMRFUUYGE-DLBZAZTESA-N 2 0 258.409 2.509 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Nc1ccccc1 ZINC000422981774 382995423 /nfs/dbraw/zinc/99/54/23/382995423.db2.gz UHDMBAZXCZYDQS-JYJNAYRXSA-N 2 0 261.413 2.593 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000423025239 383017623 /nfs/dbraw/zinc/01/76/23/383017623.db2.gz NRYZZENHKOOIAH-HYVNUMGLSA-N 2 0 282.472 2.828 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000422985686 382996137 /nfs/dbraw/zinc/99/61/37/382996137.db2.gz FUMQXEZREJHNRM-LESCRADOSA-N 2 0 284.403 2.941 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422986878 382997602 /nfs/dbraw/zinc/99/76/02/382997602.db2.gz DOKCAKMUDQFZQT-YOEHRIQHSA-N 2 0 298.434 2.658 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1COC2 ZINC000422988037 382998572 /nfs/dbraw/zinc/99/85/72/382998572.db2.gz HXHUJZACFOKGLX-OKZBNKHCSA-N 2 0 286.419 2.727 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)c1 ZINC000422996172 383001200 /nfs/dbraw/zinc/00/12/00/383001200.db2.gz LCDCXYVRKKZIFR-IRXDYDNUSA-N 2 0 276.424 2.748 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2ccccn2)c2ccccc21 ZINC000422996120 383001371 /nfs/dbraw/zinc/00/13/71/383001371.db2.gz KYFWCZJIMBLFIE-IRXDYDNUSA-N 2 0 267.376 2.749 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422999088 383003087 /nfs/dbraw/zinc/00/30/87/383003087.db2.gz DQRXACKBLKZYFM-ZDUSSCGKSA-N 2 0 291.439 2.706 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000422996684 383003107 /nfs/dbraw/zinc/00/31/07/383003107.db2.gz MTPFINQDDSCFNM-SNPRPXQTSA-N 2 0 256.434 2.558 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000338361430 383003707 /nfs/dbraw/zinc/00/37/07/383003707.db2.gz BVLKYBPPIIETRE-CVEARBPZSA-N 2 0 270.461 2.855 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000338361444 383004192 /nfs/dbraw/zinc/00/41/92/383004192.db2.gz BVLKYBPPIIETRE-HOTGVXAUSA-N 2 0 270.461 2.855 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000423004149 383007472 /nfs/dbraw/zinc/00/74/72/383007472.db2.gz OFBOAMSDJHLWIX-NXHRZFHOSA-N 2 0 288.435 2.886 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])c2ccccc2n1 ZINC000423006899 383008316 /nfs/dbraw/zinc/00/83/16/383008316.db2.gz PKLMYCSJHGALAY-ZDUSSCGKSA-N 2 0 287.407 2.851 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423007493 383008409 /nfs/dbraw/zinc/00/84/09/383008409.db2.gz XVFNLJSFWIQHQM-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])c2ccccc2n1 ZINC000423006898 383008574 /nfs/dbraw/zinc/00/85/74/383008574.db2.gz PKLMYCSJHGALAY-CYBMUJFWSA-N 2 0 287.407 2.851 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423008332 383010286 /nfs/dbraw/zinc/01/02/86/383010286.db2.gz ZXVZZCSRULREMD-LJIGWXMPSA-N 2 0 276.424 2.870 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423012938 383010291 /nfs/dbraw/zinc/01/02/91/383010291.db2.gz LONIJFMIBNNREF-GRDNDAEWSA-N 2 0 276.424 2.604 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423012940 383010336 /nfs/dbraw/zinc/01/03/36/383010336.db2.gz LONIJFMIBNNREF-JKIFEVAISA-N 2 0 276.424 2.604 20 0 CFADRP COc1cccc(C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C2CC2)c1 ZINC000423013872 383011426 /nfs/dbraw/zinc/01/14/26/383011426.db2.gz NQFCDLZRGRLXGR-SUMWQHHRSA-N 2 0 276.424 2.733 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCSCC(C)C ZINC000423013851 383011441 /nfs/dbraw/zinc/01/14/41/383011441.db2.gz NNTBDZHXWZMAMY-GFCCVEGCSA-N 2 0 281.469 2.889 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423014651 383012316 /nfs/dbraw/zinc/01/23/16/383012316.db2.gz PKKVYNRBALQXAK-QEJZJMRPSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423015464 383012927 /nfs/dbraw/zinc/01/29/27/383012927.db2.gz RAHGZYMJDGSFAC-MJBXVCDLSA-N 2 0 279.403 2.510 20 0 CFADRP CCCCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000423019832 383015120 /nfs/dbraw/zinc/01/51/20/383015120.db2.gz XJIOYGCKINVSPW-GDBMZVCRSA-N 2 0 278.444 2.599 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000338264102 382968021 /nfs/dbraw/zinc/96/80/21/382968021.db2.gz WFKOCZJYDSGBMM-UHFFFAOYSA-N 3 0 283.504 2.772 20 0 CFADRP Cc1cc(C)cc(OCC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000070188432 412968462 /nfs/dbraw/zinc/96/84/62/412968462.db2.gz SQNNZRKRKZIRBB-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423047093 383028320 /nfs/dbraw/zinc/02/83/20/383028320.db2.gz UTTMZUNEOATAPZ-QWRGUYRKSA-N 2 0 286.341 2.834 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000423046511 383028382 /nfs/dbraw/zinc/02/83/82/383028382.db2.gz FLEFMSOMGVTXIB-KBPBESRZSA-N 2 0 269.392 2.964 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423048163 383029600 /nfs/dbraw/zinc/02/96/00/383029600.db2.gz IFTKFKFMDKHPPL-JZXOWHBKSA-N 2 0 291.483 2.858 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000423049627 383030285 /nfs/dbraw/zinc/03/02/85/383030285.db2.gz KAQVEDBPQAJTLC-IAOVAPTHSA-N 2 0 288.435 2.568 20 0 CFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423048164 383030418 /nfs/dbraw/zinc/03/04/18/383030418.db2.gz IFTKFKFMDKHPPL-LZLYRXPVSA-N 2 0 291.483 2.858 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423050751 383031923 /nfs/dbraw/zinc/03/19/23/383031923.db2.gz ZHRDZBLCIQJPSY-SMDDNHRTSA-N 2 0 286.341 2.754 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423052089 383032090 /nfs/dbraw/zinc/03/20/90/383032090.db2.gz PBWRLXBTVAHPOI-IMJJTQAJSA-N 2 0 280.456 2.855 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000447943013 383033375 /nfs/dbraw/zinc/03/33/75/383033375.db2.gz WGMRYHYVNVYBCN-UHFFFAOYSA-N 2 0 269.458 2.872 20 0 CFADRP C[C@H]([NH2+][C@H]1c2ccccc2CCC[C@H]1C)C1C[NH2+]C1 ZINC000423053704 383033386 /nfs/dbraw/zinc/03/33/86/383033386.db2.gz SRLREHGPPNUGOY-IIYDPXPESA-N 2 0 258.409 2.898 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058881 383035431 /nfs/dbraw/zinc/03/54/31/383035431.db2.gz KMVJAMDYHLZATG-ONIAQPFYSA-N 2 0 289.467 2.716 20 0 CFADRP CCSc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccn1 ZINC000423059971 383035734 /nfs/dbraw/zinc/03/57/34/383035734.db2.gz HAMJCRSUTKKRRN-UHFFFAOYSA-N 2 0 279.453 2.801 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423388257 383078402 /nfs/dbraw/zinc/07/84/02/383078402.db2.gz NJCFYQVQMWCWSN-ZDUSSCGKSA-N 2 0 267.376 2.844 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423388299 383078404 /nfs/dbraw/zinc/07/84/04/383078404.db2.gz INAFYSKYKSBYFV-OZVIIMIRSA-N 2 0 282.378 2.874 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCS2 ZINC000423390186 383078406 /nfs/dbraw/zinc/07/84/06/383078406.db2.gz JVARSFXHVHBUIF-TUKIKUTGSA-N 2 0 292.448 2.820 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423063587 383038266 /nfs/dbraw/zinc/03/82/66/383038266.db2.gz PGRVZGNHDRLCJJ-MFKMUULPSA-N 2 0 272.314 2.530 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423082918 383041552 /nfs/dbraw/zinc/04/15/52/383041552.db2.gz FFROCWQVWUURJU-DZGCQCFKSA-N 2 0 271.408 2.704 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000423081046 383041722 /nfs/dbraw/zinc/04/17/22/383041722.db2.gz AWPAMGPQEKNKHM-NFOMZHRRSA-N 2 0 256.434 2.689 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423078776 383041786 /nfs/dbraw/zinc/04/17/86/383041786.db2.gz PGTYNTQSSDXHSQ-ZJPYXAASSA-N 2 0 288.435 2.871 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423107282 383042427 /nfs/dbraw/zinc/04/24/27/383042427.db2.gz KNBIPESZALFYND-RRQGHBQHSA-N 2 0 273.424 2.595 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000423104443 383043004 /nfs/dbraw/zinc/04/30/04/383043004.db2.gz BKNZDDHFRWEPGL-CHWSQXEVSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@H]1c2c(F)cccc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000579694055 383043042 /nfs/dbraw/zinc/04/30/42/383043042.db2.gz SORNIJWCMSQYBC-STQMWFEESA-N 2 0 262.372 2.744 20 0 CFADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423159887 383046887 /nfs/dbraw/zinc/04/68/87/383046887.db2.gz YQEQVBICECNQEA-SJORKVTESA-N 2 0 287.451 2.511 20 0 CFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CC3(F)CC3)cc2)CC1 ZINC000551617210 383047247 /nfs/dbraw/zinc/04/72/47/383047247.db2.gz NWMGPFGABQVVNQ-UHFFFAOYSA-N 2 0 292.398 2.751 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCCCC1 ZINC000423176360 383048023 /nfs/dbraw/zinc/04/80/23/383048023.db2.gz GYMYTBOKXBXKAK-OWCLPIDISA-N 2 0 280.456 2.833 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000423216375 383049909 /nfs/dbraw/zinc/04/99/09/383049909.db2.gz RUVXQKJGKTXTTD-UXLLHSPISA-N 2 0 273.424 2.697 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423256405 383052640 /nfs/dbraw/zinc/05/26/40/383052640.db2.gz BVVSTKURRGNQNX-MJBXVCDLSA-N 2 0 264.413 2.632 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272389 383054061 /nfs/dbraw/zinc/05/40/61/383054061.db2.gz KAHGAECGABAXCS-WBMJQRKESA-N 2 0 271.408 2.990 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000245987165 383056792 /nfs/dbraw/zinc/05/67/92/383056792.db2.gz QFFLPCVINHKJLK-CVEARBPZSA-N 2 0 278.444 2.516 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccccc1N(C)C ZINC000423300832 383057004 /nfs/dbraw/zinc/05/70/04/383057004.db2.gz SEARROFHYUMWSO-KBPBESRZSA-N 2 0 263.429 2.921 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C[C@H]1OC ZINC000423336184 383059659 /nfs/dbraw/zinc/05/96/59/383059659.db2.gz JOTJGJDVDBMYIO-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423336309 383060224 /nfs/dbraw/zinc/06/02/24/383060224.db2.gz GQXCAOGKEILPLW-MSOLQXFVSA-N 2 0 270.420 2.907 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000423352402 383061221 /nfs/dbraw/zinc/06/12/21/383061221.db2.gz KMTCHQBUSBJGDK-GOSISDBHSA-N 2 0 270.420 2.825 20 0 CFADRP COC1(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000579887051 383062894 /nfs/dbraw/zinc/06/28/94/383062894.db2.gz MAGUHLBMDNLVPT-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423363558 383065181 /nfs/dbraw/zinc/06/51/81/383065181.db2.gz AOUQEVWOWOWKJM-OFQRWUPVSA-N 2 0 292.423 2.503 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423364409 383065319 /nfs/dbraw/zinc/06/53/19/383065319.db2.gz APDBCAYBLUGGDL-CBBWQLFWSA-N 2 0 268.445 2.686 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423367911 383066174 /nfs/dbraw/zinc/06/61/74/383066174.db2.gz ZEHQWFIMDJSOAL-UONOGXRCSA-N 2 0 262.397 2.796 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552055010 383067130 /nfs/dbraw/zinc/06/71/30/383067130.db2.gz XAPMCQZAUSJHLZ-OXGONZEZSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CCSCC1 ZINC000423368254 383067189 /nfs/dbraw/zinc/06/71/89/383067189.db2.gz DGECFGYNIROBKB-LBPRGKRZSA-N 2 0 276.449 2.911 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423369440 383067523 /nfs/dbraw/zinc/06/75/23/383067523.db2.gz CDRPOTCOPDNESC-JHNDHUHGSA-N 2 0 288.435 2.963 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000423368231 383067925 /nfs/dbraw/zinc/06/79/25/383067925.db2.gz DFQGGPBWYMJOTF-WCFLWFBJSA-N 2 0 266.360 2.755 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000579944721 383068155 /nfs/dbraw/zinc/06/81/55/383068155.db2.gz ZLBPDUFBUUJUMR-HNNXBMFYSA-N 2 0 264.438 2.606 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000552063726 383068533 /nfs/dbraw/zinc/06/85/33/383068533.db2.gz KMAQNJONALQVRI-XSLAGTTESA-N 2 0 294.483 2.779 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423371259 383068940 /nfs/dbraw/zinc/06/89/40/383068940.db2.gz FHLXPOUEGJNTEC-IIAWOOMASA-N 2 0 261.413 2.523 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000423370236 383069161 /nfs/dbraw/zinc/06/91/61/383069161.db2.gz FJODULKMUVRLBH-DLBZAZTESA-N 2 0 288.435 2.972 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423376688 383071342 /nfs/dbraw/zinc/07/13/42/383071342.db2.gz YLDWIYCMJSECHQ-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423385181 383075794 /nfs/dbraw/zinc/07/57/94/383075794.db2.gz GLECEJIWSCCLKZ-XYVMCAHJSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423385180 383076292 /nfs/dbraw/zinc/07/62/92/383076292.db2.gz GLECEJIWSCCLKZ-MXSMSXNCSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423383441 383076584 /nfs/dbraw/zinc/07/65/84/383076584.db2.gz FCYFVRQLIAERJQ-OJXGSEEGSA-N 2 0 262.372 2.647 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423025867 383018915 /nfs/dbraw/zinc/01/89/15/383018915.db2.gz AEALEZQKYSRYKK-AGIUHOORSA-N 2 0 258.475 2.884 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])CCC2)cc1 ZINC000423029223 383019649 /nfs/dbraw/zinc/01/96/49/383019649.db2.gz HTGDHILYTLRYDA-PBHICJAKSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423030087 383019810 /nfs/dbraw/zinc/01/98/10/383019810.db2.gz TUSDNROZKVVWBU-OCCSQVGLSA-N 2 0 281.831 2.636 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000423028926 383019953 /nfs/dbraw/zinc/01/99/53/383019953.db2.gz UBVVMXUQIKZBKU-WCQYABFASA-N 2 0 281.469 2.700 20 0 CFADRP CC[C@H]([NH2+]CCC1CCC(OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423030997 383020993 /nfs/dbraw/zinc/02/09/93/383020993.db2.gz CMLLYTIPMDNXBC-CKUJCDMFSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000423031570 383021596 /nfs/dbraw/zinc/02/15/96/383021596.db2.gz XDBKCKYBDIUKKC-IMJJTQAJSA-N 2 0 282.472 2.935 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423034895 383022628 /nfs/dbraw/zinc/02/26/28/383022628.db2.gz QPWITODHRBJMRZ-CYGHRXIMSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1nccs1 ZINC000423035351 383022726 /nfs/dbraw/zinc/02/27/26/383022726.db2.gz JFRNETAYTMBXJM-VNHYZAJKSA-N 2 0 289.448 2.795 20 0 CFADRP COC1CCC(CC[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000423036746 383023254 /nfs/dbraw/zinc/02/32/54/383023254.db2.gz LLCBBUOCQXVQRT-UHFFFAOYSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)s1 ZINC000423037554 383023799 /nfs/dbraw/zinc/02/37/99/383023799.db2.gz MTGQXGYGOPCKCO-QFWMXSHPSA-N 2 0 267.442 2.662 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423040056 383025334 /nfs/dbraw/zinc/02/53/34/383025334.db2.gz SITNMKFCMKSEJS-GFCCVEGCSA-N 2 0 279.428 2.562 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423042316 383025898 /nfs/dbraw/zinc/02/58/98/383025898.db2.gz ZBORNAPHIAWYOT-ZDUSSCGKSA-N 2 0 281.403 2.667 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423490320 383119352 /nfs/dbraw/zinc/11/93/52/383119352.db2.gz HTXHTFHHQIIRQG-ROUUACIJSA-N 2 0 290.451 2.530 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000423492861 383119879 /nfs/dbraw/zinc/11/98/79/383119879.db2.gz OWEMLYIWGWEQSL-HOSYDEDBSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000423492863 383120108 /nfs/dbraw/zinc/12/01/08/383120108.db2.gz OWEMLYIWGWEQSL-NHCYSSNCSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000423493610 383120322 /nfs/dbraw/zinc/12/03/22/383120322.db2.gz QHZJKIAXARBIJO-HOSYDEDBSA-N 2 0 254.324 2.743 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000423496024 383121206 /nfs/dbraw/zinc/12/12/06/383121206.db2.gz VVRJOXZPTGLOLR-DJIMGWMZSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423498657 383122669 /nfs/dbraw/zinc/12/26/69/383122669.db2.gz HBVZBUISUMJCBU-VNQPRFMTSA-N 2 0 261.413 2.510 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000554089769 383124611 /nfs/dbraw/zinc/12/46/11/383124611.db2.gz HOJOQSXXHFTITC-HNNXBMFYSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533009 383126088 /nfs/dbraw/zinc/12/60/88/383126088.db2.gz WIUJABWBMRCDIM-LUCZXWKPSA-N 2 0 262.441 2.918 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000423537944 383126097 /nfs/dbraw/zinc/12/60/97/383126097.db2.gz FAFPZZXELNLALR-MKXGPGLRSA-N 2 0 284.447 2.985 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423544969 383126283 /nfs/dbraw/zinc/12/62/83/383126283.db2.gz DFDAEYRYTNGJDJ-MRXNPFEDSA-N 2 0 259.397 2.665 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000423536783 383126466 /nfs/dbraw/zinc/12/64/66/383126466.db2.gz BABTWPZGYPXJBM-FQESAXDCSA-N 2 0 292.467 2.559 20 0 CFADRP COC1(CC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCC1 ZINC000339037027 383127828 /nfs/dbraw/zinc/12/78/28/383127828.db2.gz CIRHJWOPEOENSG-CYBMUJFWSA-N 2 0 263.385 2.548 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423545801 383127811 /nfs/dbraw/zinc/12/78/11/383127811.db2.gz PITNYKFPQBUAMN-GKLJAUDBSA-N 2 0 274.383 2.791 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423563321 383127905 /nfs/dbraw/zinc/12/79/05/383127905.db2.gz XGWAGXMQKKCBLM-BFHYXJOUSA-N 2 0 268.470 2.627 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449008075 383128697 /nfs/dbraw/zinc/12/86/97/383128697.db2.gz COYGQMFMBRKMOU-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(OC)CCC2)[C@H](C)C1 ZINC000339038522 383129334 /nfs/dbraw/zinc/12/93/34/383129334.db2.gz XTILPEQRGQUOGU-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339066850 383138930 /nfs/dbraw/zinc/13/89/30/383138930.db2.gz IFNXKMVSXFRUSD-DLBZAZTESA-N 2 0 288.435 2.763 20 0 CFADRP Oc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339076991 383140244 /nfs/dbraw/zinc/14/02/44/383140244.db2.gz XFKPIBMHNBKYFM-CVEARBPZSA-N 2 0 274.408 2.541 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247079656 383140285 /nfs/dbraw/zinc/14/02/85/383140285.db2.gz OSZKJWFSYIAHFW-HOCLYGCPSA-N 2 0 274.408 2.832 20 0 CFADRP CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCCC1 ZINC000423395228 383081130 /nfs/dbraw/zinc/08/11/30/383081130.db2.gz AERMZOCTGAEMFI-INIZCTEOSA-N 2 0 282.472 2.951 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000423394440 383081195 /nfs/dbraw/zinc/08/11/95/383081195.db2.gz ZRHVAFZACHOUNC-CXAGYDPISA-N 2 0 276.424 2.604 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C12CCCCC2 ZINC000423396681 383081786 /nfs/dbraw/zinc/08/17/86/383081786.db2.gz SHNWTGQURBTMSZ-LVQVYYBASA-N 2 0 280.456 2.974 20 0 CFADRP COC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CCCC1 ZINC000423397538 383082487 /nfs/dbraw/zinc/08/24/87/383082487.db2.gz TVDYUUFWOKQWAB-QGZVFWFLSA-N 2 0 274.408 2.585 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000246572371 383082673 /nfs/dbraw/zinc/08/26/73/383082673.db2.gz YBDFDVVCKSVVLZ-UXLLHSPISA-N 2 0 276.424 2.774 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C2CC2)c1 ZINC000423402031 383083204 /nfs/dbraw/zinc/08/32/04/383083204.db2.gz REAUYZMXSTXBBG-XWIAVFTESA-N 2 0 288.435 2.604 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCc3ccccc32)CC[NH2+]CC1 ZINC000423400365 383083237 /nfs/dbraw/zinc/08/32/37/383083237.db2.gz VCCSDAJQDOJFKT-KRWDZBQOSA-N 2 0 288.435 2.670 20 0 CFADRP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000552406643 383084338 /nfs/dbraw/zinc/08/43/38/383084338.db2.gz HPXISOQZKOXDPE-MAUKXSAKSA-N 2 0 294.483 2.924 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C(C)C)cc1 ZINC000423407148 383085094 /nfs/dbraw/zinc/08/50/94/383085094.db2.gz VLUSLAVEQQWXFR-IAOVAPTHSA-N 2 0 276.424 2.980 20 0 CFADRP CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)C(C)(C)C ZINC000423405461 383085555 /nfs/dbraw/zinc/08/55/55/383085555.db2.gz JHKKLTZACUMERQ-CQSZACIVSA-N 2 0 270.461 2.807 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000423408966 383086839 /nfs/dbraw/zinc/08/68/39/383086839.db2.gz YFRUNTXPNXIKRG-WBAXXEDZSA-N 2 0 272.436 2.904 20 0 CFADRP CCC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C(C)(C)C ZINC000423415536 383088443 /nfs/dbraw/zinc/08/84/43/383088443.db2.gz PEKKLUWGWNPSBQ-HIFRSBDPSA-N 2 0 256.434 2.559 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C)o1 ZINC000423421761 383090856 /nfs/dbraw/zinc/09/08/56/383090856.db2.gz AWTWSAPDAZTBHL-KNXALSJPSA-N 2 0 262.397 2.935 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1C ZINC000423427015 383092007 /nfs/dbraw/zinc/09/20/07/383092007.db2.gz FLMRGDFKBDXYOJ-KNXALSJPSA-N 2 0 290.455 2.559 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423425360 383092060 /nfs/dbraw/zinc/09/20/60/383092060.db2.gz DNABZCAUOAAGDZ-XUWVNRHRSA-N 2 0 280.456 2.556 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cnn1C(C)C ZINC000423428516 383092703 /nfs/dbraw/zinc/09/27/03/383092703.db2.gz JGJCUAMQBMNFKV-STQMWFEESA-N 2 0 266.433 2.941 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cn1 ZINC000423431481 383094167 /nfs/dbraw/zinc/09/41/67/383094167.db2.gz VLLXKRXXNNWVRY-AVGNSLFASA-N 2 0 265.376 2.636 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000246709375 383095579 /nfs/dbraw/zinc/09/55/79/383095579.db2.gz ZWGYNBHCYIIUJY-FPCVCCKLSA-N 2 0 268.445 2.654 20 0 CFADRP c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447995 383099506 /nfs/dbraw/zinc/09/95/06/383099506.db2.gz URJDBBXKAYSCMZ-RRFJBIMHSA-N 2 0 260.381 2.635 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423447685 383100066 /nfs/dbraw/zinc/10/00/66/383100066.db2.gz ZXLJJRWMSGBJOF-WDEREUQCSA-N 2 0 256.415 2.925 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423447597 383100074 /nfs/dbraw/zinc/10/00/74/383100074.db2.gz ZQROTEVYONSFNL-XVLPMQGWSA-N 2 0 250.430 2.789 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C12CCC2 ZINC000246765694 383101527 /nfs/dbraw/zinc/10/15/27/383101527.db2.gz GPTQPYCIIPYIEE-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000423453916 383102010 /nfs/dbraw/zinc/10/20/10/383102010.db2.gz BLGQAGLOMIEXPR-HUBLWGQQSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423453848 383102167 /nfs/dbraw/zinc/10/21/67/383102167.db2.gz KZFGLUHWQDCTPS-VXGBXAGGSA-N 2 0 289.423 2.694 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423461554 383103948 /nfs/dbraw/zinc/10/39/48/383103948.db2.gz JUJUTWGCUMZVRN-ARFHVFGLSA-N 2 0 276.424 2.697 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2c1cccc2F ZINC000423462411 383104275 /nfs/dbraw/zinc/10/42/75/383104275.db2.gz PEYVWPFFDNLMQM-MURQMLRYSA-N 2 0 274.383 2.919 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)CC(C)C ZINC000246810710 383107464 /nfs/dbraw/zinc/10/74/64/383107464.db2.gz AQAPHDXNJNMZIE-ULQDDVLXSA-N 2 0 283.504 2.815 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423467031 383107618 /nfs/dbraw/zinc/10/76/18/383107618.db2.gz AYXVXHHYSRETFI-CJNGLKHVSA-N 2 0 289.423 2.828 20 0 CFADRP CC[C@@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423470249 383108167 /nfs/dbraw/zinc/10/81/67/383108167.db2.gz PBTYKVMAGQTDOR-ZJPYXAASSA-N 2 0 287.451 2.509 20 0 CFADRP CC[C@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423470248 383108549 /nfs/dbraw/zinc/10/85/49/383108549.db2.gz PBTYKVMAGQTDOR-XLAORIBOSA-N 2 0 287.451 2.509 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423472842 383109501 /nfs/dbraw/zinc/10/95/01/383109501.db2.gz NJPNFUXXMZMVKY-RBOXIYTFSA-N 2 0 292.398 2.929 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000423477476 383111966 /nfs/dbraw/zinc/11/19/66/383111966.db2.gz JZKIIVDTGUKAMF-UONOGXRCSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423478983 383112999 /nfs/dbraw/zinc/11/29/99/383112999.db2.gz UZJNBDFXRMMMKY-BZPMIXESSA-N 2 0 280.412 2.523 20 0 CFADRP c1cncc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246857922 383114080 /nfs/dbraw/zinc/11/40/80/383114080.db2.gz PMKCFRLELARKLE-WMZOPIPTSA-N 2 0 285.435 2.573 20 0 CFADRP COC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423484879 383115311 /nfs/dbraw/zinc/11/53/11/383115311.db2.gz RFCAGMREOVYCAW-CZUORRHYSA-N 2 0 298.377 2.774 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423486111 383116486 /nfs/dbraw/zinc/11/64/86/383116486.db2.gz BMLHRAXWBCPZMI-LSDHHAIUSA-N 2 0 270.461 2.805 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423486110 383117057 /nfs/dbraw/zinc/11/70/57/383117057.db2.gz BMLHRAXWBCPZMI-HUUCEWRRSA-N 2 0 270.461 2.805 20 0 CFADRP CC(C)C[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247142888 383147305 /nfs/dbraw/zinc/14/73/05/383147305.db2.gz WKOZJMDEELLOKR-OAGGEKHMSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000423490052 383117862 /nfs/dbraw/zinc/11/78/62/383117862.db2.gz HISYTHDXSHIPKH-OKUQKKEKSA-N 2 0 292.467 2.559 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1O ZINC000423488779 383117893 /nfs/dbraw/zinc/11/78/93/383117893.db2.gz VSIWBKWZBUGCSO-GXTWGEPZSA-N 2 0 278.396 2.584 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423488550 383118363 /nfs/dbraw/zinc/11/83/63/383118363.db2.gz DVLZVOLUDZXUPS-YXJHDRRASA-N 2 0 298.434 2.709 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423491450 383118908 /nfs/dbraw/zinc/11/89/08/383118908.db2.gz JTJIDQVJKLPOAG-AHIWAGSCSA-N 2 0 258.409 2.953 20 0 CFADRP COC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247481073 383177197 /nfs/dbraw/zinc/17/71/97/383177197.db2.gz KCQNCYUPIDGOBN-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449107165 383177923 /nfs/dbraw/zinc/17/79/23/383177923.db2.gz OTNXSZJRXUHIQL-HIFRSBDPSA-N 2 0 250.386 2.532 20 0 CFADRP CCc1nocc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000339181450 383180575 /nfs/dbraw/zinc/18/05/75/383180575.db2.gz ALOXDPZQOYSIRZ-UHFFFAOYSA-N 2 0 279.428 2.839 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCC1 ZINC000449191089 383183044 /nfs/dbraw/zinc/18/30/44/383183044.db2.gz OYDNKKWFFWWSQY-BZSNNMDCSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1noc(C)c1C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247638262 383188010 /nfs/dbraw/zinc/18/80/10/383188010.db2.gz OHPICHODDUCIFF-NHYWBVRUSA-N 2 0 274.368 2.571 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)ccc3F)CC[C@H]21 ZINC000247939542 383201080 /nfs/dbraw/zinc/20/10/80/383201080.db2.gz CVFKHDFSZXGZGF-MLGOLLRUSA-N 2 0 280.362 2.881 20 0 CFADRP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000247984956 383205275 /nfs/dbraw/zinc/20/52/75/383205275.db2.gz ISLBOILRFAELCA-GDBMZVCRSA-N 2 0 292.398 2.750 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247999992 383205935 /nfs/dbraw/zinc/20/59/35/383205935.db2.gz KIGRPLGCBLLSCC-GVDBMIGSSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000518753809 383206887 /nfs/dbraw/zinc/20/68/87/383206887.db2.gz KUZLWCISKWTKHV-ZTFGCOKTSA-N 2 0 290.451 2.694 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248065965 383208857 /nfs/dbraw/zinc/20/88/57/383208857.db2.gz MFPCZIWMXPCSGV-RDJZCZTQSA-N 2 0 260.425 2.918 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248057570 383209250 /nfs/dbraw/zinc/20/92/50/383209250.db2.gz XSFYMUCLLFIACV-GOEBONIOSA-N 2 0 276.424 2.618 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000248062527 383209557 /nfs/dbraw/zinc/20/95/57/383209557.db2.gz YSDBRZRPFSOFJM-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@H](CC1CC1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247155660 383148784 /nfs/dbraw/zinc/14/87/84/383148784.db2.gz XITJEGIDMLGSPN-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247171080 383149851 /nfs/dbraw/zinc/14/98/51/383149851.db2.gz UQUXGWAXLGLXBF-JJRVBVJISA-N 2 0 276.424 2.651 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000247225307 383153801 /nfs/dbraw/zinc/15/38/01/383153801.db2.gz XZBKLJDTNBOSEM-RDJZCZTQSA-N 2 0 276.424 2.694 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449064258 383157792 /nfs/dbraw/zinc/15/77/92/383157792.db2.gz OTRIAKHNPSQBEF-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP COc1cccc2c(C[NH2+]CCC[NH+](C)C)cccc12 ZINC000449063253 383158078 /nfs/dbraw/zinc/15/80/78/383158078.db2.gz MCHZLYZGRZKRCB-UHFFFAOYSA-N 2 0 272.392 2.890 20 0 CFADRP C[C@@H](C[NH+]1CCC(CC[NH3+])CC1)c1ccc(F)cc1 ZINC000516654092 383166744 /nfs/dbraw/zinc/16/67/44/383166744.db2.gz GEJDOYKSHJEWAH-ZDUSSCGKSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334366 296343250 /nfs/dbraw/zinc/34/32/50/296343250.db2.gz UHKPVVFWIPFCFU-XDNAFOTISA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccoc1)C[NH+]1CCCCC1 ZINC000449088913 383169663 /nfs/dbraw/zinc/16/96/63/383169663.db2.gz JCIIXWFWDJAILB-GJZGRUSLSA-N 2 0 264.413 2.922 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449377453 383247095 /nfs/dbraw/zinc/24/70/95/383247095.db2.gz AFBPPQSRYZUESN-FRRDWIJNSA-N 2 0 294.361 2.560 20 0 CFADRP CC(C)Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H](C)O)N(C)C)cc1 ZINC000567378659 383270036 /nfs/dbraw/zinc/27/00/36/383270036.db2.gz MDDPVSKKEHUITD-DAYGRLMNSA-N 2 0 292.467 2.847 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000422748954 532976943 /nfs/dbraw/zinc/97/69/43/532976943.db2.gz WVPPPGAWHBADOR-CRAIPNDOSA-N 2 0 268.404 2.777 20 0 CFADRP Cc1cccc(CC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000449332715 383222618 /nfs/dbraw/zinc/22/26/18/383222618.db2.gz SBOAXDDKSLMRAU-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000567483073 383279732 /nfs/dbraw/zinc/27/97/32/383279732.db2.gz JPJLVBBUKQNEIP-GJZGRUSLSA-N 2 0 272.477 2.740 20 0 CFADRP C[C@@H](CCO)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449355837 383235830 /nfs/dbraw/zinc/23/58/30/383235830.db2.gz DQMKLABUMVOSHQ-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000567062253 383239115 /nfs/dbraw/zinc/23/91/15/383239115.db2.gz XSLNEUSLCBVEDS-IMJJTQAJSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000567103772 383241463 /nfs/dbraw/zinc/24/14/63/383241463.db2.gz OAZNTTBVASHXKL-OLZOCXBDSA-N 2 0 296.377 2.544 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000567102474 383241629 /nfs/dbraw/zinc/24/16/29/383241629.db2.gz CQSWYMHBWLYCBV-GFCCVEGCSA-N 2 0 286.366 2.938 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@H](C)C1 ZINC000449491426 383328584 /nfs/dbraw/zinc/32/85/84/383328584.db2.gz GVJYCDKHUMLKNH-AGIUHOORSA-N 2 0 260.372 2.742 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000249132245 383328924 /nfs/dbraw/zinc/32/89/24/383328924.db2.gz UZIXYGADOCNOHJ-AKZYDZMLSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732621 383333710 /nfs/dbraw/zinc/33/37/10/383333710.db2.gz KMPXEGIVQMCTLG-ZDUSSCGKSA-N 2 0 278.444 2.575 20 0 CFADRP CC(=O)Nc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732633 383333727 /nfs/dbraw/zinc/33/37/27/383333727.db2.gz KTAHDDMUPRAAPR-OAHLLOKOSA-N 2 0 289.423 2.513 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)n2c1 ZINC000634732678 383333838 /nfs/dbraw/zinc/33/38/38/383333838.db2.gz LZTYMHOPFZTFOB-AWEZNQCLSA-N 2 0 286.423 2.511 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000634732212 383334237 /nfs/dbraw/zinc/33/42/37/383334237.db2.gz AVNJLAHZOIVLQB-OAHLLOKOSA-N 2 0 298.434 2.945 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000634733155 383335548 /nfs/dbraw/zinc/33/55/48/383335548.db2.gz YHYYGESVPGAUFF-MRXNPFEDSA-N 2 0 298.434 2.740 20 0 CFADRP CCC[C@@H](C(=O)OCC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000522301771 383335988 /nfs/dbraw/zinc/33/59/88/383335988.db2.gz JBBRYLRDEFTUAA-INIZCTEOSA-N 2 0 298.471 2.770 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000249383575 383342354 /nfs/dbraw/zinc/34/23/54/383342354.db2.gz WABLRMGFPXWJRK-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000567639100 383296423 /nfs/dbraw/zinc/29/64/23/383296423.db2.gz VYGVDJANYVVXQZ-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000567638858 383297043 /nfs/dbraw/zinc/29/70/43/383297043.db2.gz NVTPJNUFEGNHHL-ZDUSSCGKSA-N 2 0 276.428 2.648 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000567638904 383297287 /nfs/dbraw/zinc/29/72/87/383297287.db2.gz UYVHNBDQOUHLOJ-QWRGUYRKSA-N 2 0 252.324 2.697 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000567646046 383297802 /nfs/dbraw/zinc/29/78/02/383297802.db2.gz QPLWATJBRLBYRZ-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP Cc1nc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(C)o1 ZINC000567645872 383298131 /nfs/dbraw/zinc/29/81/31/383298131.db2.gz HPZSMGLJXOXKSF-IUODEOHRSA-N 2 0 279.428 2.734 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567646217 383298722 /nfs/dbraw/zinc/29/87/22/383298722.db2.gz WDIFUEDVPJETDR-MGPQQGTHSA-N 2 0 250.386 2.578 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000567677323 383300848 /nfs/dbraw/zinc/30/08/48/383300848.db2.gz QCIHEKCJGLXIKG-PMPSAXMXSA-N 2 0 290.451 2.920 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000567680491 383302066 /nfs/dbraw/zinc/30/20/66/383302066.db2.gz COVAXQDYPQPWCS-QDMKHBRRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248882172 383303074 /nfs/dbraw/zinc/30/30/74/383303074.db2.gz LBZISWMIUUDLON-ZCRFILTFSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634678164 383307344 /nfs/dbraw/zinc/30/73/44/383307344.db2.gz KVQHXGBYEMYPCI-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000634678185 383307447 /nfs/dbraw/zinc/30/74/47/383307447.db2.gz LICIRZJEQRZRBM-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000634680227 383309413 /nfs/dbraw/zinc/30/94/13/383309413.db2.gz OIVUQLPQYRMZQF-ZIAGYGMSSA-N 2 0 270.461 2.900 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1F ZINC000634680533 383309789 /nfs/dbraw/zinc/30/97/89/383309789.db2.gz VBKGVYRZXCLIOT-OAHLLOKOSA-N 2 0 294.414 2.935 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1F ZINC000634680532 383309859 /nfs/dbraw/zinc/30/98/59/383309859.db2.gz VBKGVYRZXCLIOT-HNNXBMFYSA-N 2 0 294.414 2.935 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634681594 383310644 /nfs/dbraw/zinc/31/06/44/383310644.db2.gz SQHBVLSLQCZBTP-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000634683147 383312905 /nfs/dbraw/zinc/31/29/05/383312905.db2.gz LDHXTLMXLLSUSE-WLYUNCDWSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000634683364 383313002 /nfs/dbraw/zinc/31/30/02/383313002.db2.gz PTXCIFGWBVAZHI-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1OC ZINC000248991573 383315022 /nfs/dbraw/zinc/31/50/22/383315022.db2.gz NNQBCGAORZIIEV-WFDRTZIDSA-N 2 0 280.456 2.795 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)c2c1 ZINC000634688045 383320215 /nfs/dbraw/zinc/32/02/15/383320215.db2.gz GOKSZMBZHLGMJS-KBXCAEBGSA-N 2 0 281.403 2.809 20 0 CFADRP [NH3+]C[C@@H]1CCN(CCC[NH+]2CCCCC2)c2ccccc21 ZINC000634689994 383321463 /nfs/dbraw/zinc/32/14/63/383321463.db2.gz ASADAQJDAUTLAN-INIZCTEOSA-N 2 0 287.451 2.815 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000567870759 383324402 /nfs/dbraw/zinc/32/44/02/383324402.db2.gz LNXLYOJRHHOHSS-OIISXLGYSA-N 2 0 258.409 2.722 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000251490187 383389085 /nfs/dbraw/zinc/38/90/85/383389085.db2.gz CNNRTJGDVIBGEC-YLQAJVPDSA-N 2 0 289.423 2.813 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000425915338 383392406 /nfs/dbraw/zinc/39/24/06/383392406.db2.gz DEUYPMCDUVKPQY-UHFFFAOYSA-N 2 0 260.372 2.884 20 0 CFADRP COCC1(C)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568403181 383399697 /nfs/dbraw/zinc/39/96/97/383399697.db2.gz MYOWXCOZFWZKPK-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP COc1cccc(C2([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000568415027 383401587 /nfs/dbraw/zinc/40/15/87/383401587.db2.gz DFHBCNLPMBNAPP-KBPBESRZSA-N 2 0 260.381 2.544 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000568412883 383401605 /nfs/dbraw/zinc/40/16/05/383401605.db2.gz MJROUJAERBMDRV-ZACQAIPSSA-N 2 0 281.488 2.747 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568415055 383401717 /nfs/dbraw/zinc/40/17/17/383401717.db2.gz FELXFQVWCDMEAA-PMPSAXMXSA-N 2 0 288.435 2.975 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC000568474072 383405127 /nfs/dbraw/zinc/40/51/27/383405127.db2.gz UVNBQCNLBDRROA-GOSISDBHSA-N 2 0 291.483 2.587 20 0 CFADRP CC(C)c1[nH+]c(CN2CC[C@@H]([NH+](C)C)C2)c2ccccn21 ZINC000568521832 383412603 /nfs/dbraw/zinc/41/26/03/383412603.db2.gz KZEVAYOJVPAJNG-CQSZACIVSA-N 2 0 286.423 2.594 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000449625139 383358033 /nfs/dbraw/zinc/35/80/33/383358033.db2.gz AXNUTLADRGQZPF-WFASDCNBSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCSCC1 ZINC000249769922 383361354 /nfs/dbraw/zinc/36/13/54/383361354.db2.gz BNHSDXZDLAFJNM-AEGPPILISA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249933896 383367409 /nfs/dbraw/zinc/36/74/09/383367409.db2.gz FMZNNOLZLIKKLO-BBWFWOEESA-N 3 0 281.488 2.713 20 0 CFADRP CCCC[C@H](C(=O)OC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000524179528 383367936 /nfs/dbraw/zinc/36/79/36/383367936.db2.gz VICSIVIDIZFTFK-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP C(CC[NH+]1CCOCC1)C[NH2+][C@H]1CCCC12CCCC2 ZINC000340184686 383373083 /nfs/dbraw/zinc/37/30/83/383373083.db2.gz IHCKGNZMDMDNQH-INIZCTEOSA-N 2 0 280.456 2.801 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000425338811 383375230 /nfs/dbraw/zinc/37/52/30/383375230.db2.gz QIKJKPNNWSIYDW-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000250381418 383375330 /nfs/dbraw/zinc/37/53/30/383375330.db2.gz DXLMXDARQJCXOY-ULQDDVLXSA-N 2 0 281.488 2.569 20 0 CFADRP C[NH+](C)Cc1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250360496 383375431 /nfs/dbraw/zinc/37/54/31/383375431.db2.gz SJKPPANGDPYZAO-IRXDYDNUSA-N 2 0 273.424 2.787 20 0 CFADRP C(CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000250876962 383382206 /nfs/dbraw/zinc/38/22/06/383382206.db2.gz UJRRIKWOAPXYJF-RCCFBDPRSA-N 2 0 293.499 2.763 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000250926191 383383008 /nfs/dbraw/zinc/38/30/08/383383008.db2.gz VNCVPWLAWITUSC-GVDBMIGSSA-N 2 0 273.424 2.790 20 0 CFADRP CSCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250927397 383383114 /nfs/dbraw/zinc/38/31/14/383383114.db2.gz BEJRLPOTSUYAAB-BFHYXJOUSA-N 2 0 256.459 2.640 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251145890 383385294 /nfs/dbraw/zinc/38/52/94/383385294.db2.gz FPZFSHVIAJZQMR-UONOGXRCSA-N 2 0 262.397 2.563 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634959627 383425612 /nfs/dbraw/zinc/42/56/12/383425612.db2.gz XHWQQWNKBHSJOA-UHFFFAOYSA-N 2 0 298.434 2.841 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1[NH3+] ZINC000252701593 383428540 /nfs/dbraw/zinc/42/85/40/383428540.db2.gz DRAWRNKVSBFIIW-GXFFZTMASA-N 2 0 254.324 2.793 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252698692 383428594 /nfs/dbraw/zinc/42/85/94/383428594.db2.gz OPTBUCUPRWPEBZ-KBMXLJTQSA-N 2 0 274.408 2.540 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C1CCOCC1 ZINC000340473408 383432940 /nfs/dbraw/zinc/43/29/40/383432940.db2.gz CAMNMIPYQYHLRZ-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000568823810 383438872 /nfs/dbraw/zinc/43/88/72/383438872.db2.gz PNMKNXRFZLPGLU-MCIONIFRSA-N 2 0 270.486 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ncc(C)cc2C)[C@H](C)C1 ZINC000568862505 383444048 /nfs/dbraw/zinc/44/40/48/383444048.db2.gz PUGKXGAVOIPIQB-AEFFLSMTSA-N 2 0 289.467 2.903 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccncc1F ZINC000340514664 383450675 /nfs/dbraw/zinc/45/06/75/383450675.db2.gz KOKKJCZWBQUHTF-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634996344 383452084 /nfs/dbraw/zinc/45/20/84/383452084.db2.gz HLSNIQZXWUQBQZ-QWHCGFSZSA-N 2 0 284.407 2.546 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC3(CCSCC3)CC2)CC[NH2+]1 ZINC000634999638 383456466 /nfs/dbraw/zinc/45/64/66/383456466.db2.gz XFRFMZGWTFPDBZ-CABCVRRESA-N 2 0 282.497 2.984 20 0 CFADRP CCCC[C@H](CC)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001380 383457098 /nfs/dbraw/zinc/45/70/98/383457098.db2.gz QZQURDSCZVFZFY-HNNXBMFYSA-N 2 0 270.461 2.639 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003932 383459288 /nfs/dbraw/zinc/45/92/88/383459288.db2.gz FZJPMLICFMIUQX-ZQDZILKHSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002836 383459392 /nfs/dbraw/zinc/45/93/92/383459392.db2.gz AAIFGXFEIVONJU-SFYZADRCSA-N 2 0 266.332 2.982 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cccc(CO)c1 ZINC000635003847 383459634 /nfs/dbraw/zinc/45/96/34/383459634.db2.gz BMGYFFZGBOMDAZ-BEFAXECRSA-N 2 0 298.430 2.790 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000635003470 383459712 /nfs/dbraw/zinc/45/97/12/383459712.db2.gz DHBNZUGADKXNQQ-RUXNMCCTSA-N 2 0 260.372 2.917 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003359 383459751 /nfs/dbraw/zinc/45/97/51/383459751.db2.gz CIPBALTXUDUXKH-GMTAPVOTSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cccc(CO)c1 ZINC000635003849 383459927 /nfs/dbraw/zinc/45/99/27/383459927.db2.gz BMGYFFZGBOMDAZ-DNVCBOLYSA-N 2 0 298.430 2.790 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1O ZINC000635003945 383459955 /nfs/dbraw/zinc/45/99/55/383459955.db2.gz GAIXDEKQNDUTDN-YRGRVCCFSA-N 2 0 278.396 2.569 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003415 383459990 /nfs/dbraw/zinc/45/99/90/383459990.db2.gz CYHMGQMYLXBUGU-YDHLFZDLSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC[C@H]2CNc3ccccc32)CC1 ZINC000635004604 383460834 /nfs/dbraw/zinc/46/08/34/383460834.db2.gz FOGYDKHKZSDABX-SLTAFYQDSA-N 2 0 273.424 2.693 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000635005597 383461898 /nfs/dbraw/zinc/46/18/98/383461898.db2.gz JNOLXRCODKNIPC-DJSGYFEHSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005261 383462018 /nfs/dbraw/zinc/46/20/18/383462018.db2.gz ISXHEZCJRLBHTL-YRGRVCCFSA-N 2 0 252.427 2.786 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cnn1C(C)C ZINC000635005514 383462288 /nfs/dbraw/zinc/46/22/88/383462288.db2.gz OEQROFJGCDOQBK-QEJZJMRPSA-N 2 0 278.444 2.941 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CCSCC1 ZINC000635005454 383462390 /nfs/dbraw/zinc/46/23/90/383462390.db2.gz NOSOAOHFFDBTCI-YRGRVCCFSA-N 2 0 256.459 2.625 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CC(F)(F)C2)[C@H](C)C1 ZINC000450562878 383462791 /nfs/dbraw/zinc/46/27/91/383462791.db2.gz IJIZNUHKSPLELZ-YPMHNXCESA-N 2 0 260.372 2.694 20 0 CFADRP COCC1CCC([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000635006685 383463074 /nfs/dbraw/zinc/46/30/74/383463074.db2.gz MUZUDLUHMKBSCP-ADKAHSJRSA-N 2 0 290.451 2.741 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635008095 383464151 /nfs/dbraw/zinc/46/41/51/383464151.db2.gz QPJLOMIKJJUCIL-IRXDYDNUSA-N 2 0 260.425 2.971 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c(C)n1 ZINC000635008615 383464613 /nfs/dbraw/zinc/46/46/13/383464613.db2.gz FQJCNSNVOVGMGS-LBPRGKRZSA-N 2 0 296.418 2.590 20 0 CFADRP CCn1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000635009314 383466050 /nfs/dbraw/zinc/46/60/50/383466050.db2.gz UPCARKFELGYZSJ-WMLDXEAASA-N 2 0 286.423 2.514 20 0 CFADRP Cc1cccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000635010776 383466540 /nfs/dbraw/zinc/46/65/40/383466540.db2.gz VKGIMNIYYPIQGB-HNNXBMFYSA-N 2 0 296.418 2.973 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000635010592 383466686 /nfs/dbraw/zinc/46/66/86/383466686.db2.gz UCQPUHMJAMNFSJ-LLVKDONJSA-N 2 0 259.353 2.601 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000450573264 383466901 /nfs/dbraw/zinc/46/69/01/383466901.db2.gz WKBAUHABBJVEQI-HOTGVXAUSA-N 2 0 290.455 2.852 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCSCC1 ZINC000635010658 383467297 /nfs/dbraw/zinc/46/72/97/383467297.db2.gz KWVOJFNEIYELQO-JSGCOSHPSA-N 2 0 270.486 2.886 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635013699 383469611 /nfs/dbraw/zinc/46/96/11/383469611.db2.gz HGYWVBGYKURRRN-BMFZPTHFSA-N 2 0 296.842 2.666 20 0 CFADRP c1cc(N2CC[NH2+]CC2)cc(N[C@H]2CCCC23CCC3)[nH+]1 ZINC000635013348 383469779 /nfs/dbraw/zinc/46/97/79/383469779.db2.gz YBDWPOMQGXISNY-HNNXBMFYSA-N 2 0 286.423 2.626 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635013888 383470306 /nfs/dbraw/zinc/47/03/06/383470306.db2.gz XEOKDPRRORYTSS-IRXDYDNUSA-N 2 0 274.408 2.509 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2cccnc2c1)[C@@H]1CCC[NH2+]C1 ZINC000635015476 383471715 /nfs/dbraw/zinc/47/17/15/383471715.db2.gz BJHGQTAATGPUNY-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635021968 383473794 /nfs/dbraw/zinc/47/37/94/383473794.db2.gz QKXWRXYLZBRAFM-JKSUJKDBSA-N 2 0 269.392 2.842 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000480748608 383420879 /nfs/dbraw/zinc/42/08/79/383420879.db2.gz XSSXWYIGMQPSPY-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccon2)C1 ZINC000634952554 383421299 /nfs/dbraw/zinc/42/12/99/383421299.db2.gz BZTCYHBPFFSFMP-ZIAGYGMSSA-N 2 0 265.401 2.522 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cc2)n1 ZINC000261704983 383544874 /nfs/dbraw/zinc/54/48/74/383544874.db2.gz LWVRLPASZJTWSP-GOSISDBHSA-N 2 0 298.434 2.660 20 0 CFADRP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000261716737 383548528 /nfs/dbraw/zinc/54/85/28/383548528.db2.gz FGRKLRXELBCSHK-LSDHHAIUSA-N 2 0 280.460 2.506 20 0 CFADRP C[C@H](CNCc1ccc2c(n1)CCC2)C[NH+]1CCCCC1 ZINC000569905213 383548641 /nfs/dbraw/zinc/54/86/41/383548641.db2.gz AASATTJPAAMHHT-OAHLLOKOSA-N 2 0 287.451 2.782 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000569352036 383491933 /nfs/dbraw/zinc/49/19/33/383491933.db2.gz TXISSDORCLCFQE-UKRRQHHQSA-N 2 0 290.407 2.738 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257642720 383496598 /nfs/dbraw/zinc/49/65/98/383496598.db2.gz BGTWIZPFTXDNJC-CQSZACIVSA-N 2 0 250.411 2.632 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000257644391 383496992 /nfs/dbraw/zinc/49/69/92/383496992.db2.gz BSCUDAQYWZWXBW-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000488231897 383505280 /nfs/dbraw/zinc/50/52/80/383505280.db2.gz IKDJMMXAITZRLK-AWEZNQCLSA-N 2 0 285.391 2.872 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261545598 383508692 /nfs/dbraw/zinc/50/86/92/383508692.db2.gz GBNLMTWOHUGKRA-ZIAGYGMSSA-N 2 0 250.411 2.862 20 0 CFADRP CC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261541279 383509105 /nfs/dbraw/zinc/50/91/05/383509105.db2.gz JGXREHUCOGXJPU-OLZOCXBDSA-N 2 0 252.427 2.958 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1 ZINC000261548043 383510010 /nfs/dbraw/zinc/51/00/10/383510010.db2.gz IZVGAZJFLLTGQI-COPLHBTASA-N 2 0 252.789 2.989 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000261562263 383512743 /nfs/dbraw/zinc/51/27/43/383512743.db2.gz BERKTSDUNLKELM-SNVBAGLBSA-N 2 0 258.818 2.962 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261568702 383515355 /nfs/dbraw/zinc/51/53/55/383515355.db2.gz KYEWPKHMHVVRGP-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP CSC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000429298468 383516305 /nfs/dbraw/zinc/51/63/05/383516305.db2.gz XIRXWIIHGSWXSB-CABCVRRESA-N 2 0 270.486 2.936 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000261576172 383517925 /nfs/dbraw/zinc/51/79/25/383517925.db2.gz BZDMVAZVYLYFEV-GXFFZTMASA-N 2 0 272.314 2.793 20 0 CFADRP CC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000450856271 383522773 /nfs/dbraw/zinc/52/27/73/383522773.db2.gz HVMVODLCWMBLMO-LLVKDONJSA-N 2 0 267.804 2.964 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000261590836 383523122 /nfs/dbraw/zinc/52/31/22/383523122.db2.gz LOVWERMJXBKHGH-HOTGVXAUSA-N 2 0 258.409 2.653 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000450862153 383526187 /nfs/dbraw/zinc/52/61/87/383526187.db2.gz ZRBPWKYPARUHNV-IRXDYDNUSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261603001 383526798 /nfs/dbraw/zinc/52/67/98/383526798.db2.gz CCXSZQWTNPRLEJ-KWCYVHTRSA-N 2 0 296.361 2.890 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261610171 383527511 /nfs/dbraw/zinc/52/75/11/383527511.db2.gz SHGQPZQZLXLRJI-DOTOQJQBSA-N 2 0 258.409 2.796 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569694573 383527791 /nfs/dbraw/zinc/52/77/91/383527791.db2.gz ZVDCZXJVGVMSBU-SFHVURJKSA-N 2 0 288.435 2.703 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000261622593 383531468 /nfs/dbraw/zinc/53/14/68/383531468.db2.gz UYAGHQXLJBAJQJ-NVXWUHKLSA-N 2 0 258.409 2.653 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)ccc2n1 ZINC000261639542 383533729 /nfs/dbraw/zinc/53/37/29/383533729.db2.gz CECHEUIEHACJGP-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP CC(C)C1CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000488420822 383534222 /nfs/dbraw/zinc/53/42/22/383534222.db2.gz MJATUGOSGPEKIX-XAWIXRBMSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000261667190 383539620 /nfs/dbraw/zinc/53/96/20/383539620.db2.gz GCOMUIHVXKMCDS-HNNXBMFYSA-N 2 0 284.350 2.501 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000261686836 383541970 /nfs/dbraw/zinc/54/19/70/383541970.db2.gz HKEVDPXFNAQHBD-INIZCTEOSA-N 2 0 271.364 2.512 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261685368 383542034 /nfs/dbraw/zinc/54/20/34/383542034.db2.gz KFCVZJIOBJMGFS-QGZVFWFLSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261695539 383543351 /nfs/dbraw/zinc/54/33/51/383543351.db2.gz BWOBEQFOYOOSTK-IRXDYDNUSA-N 2 0 258.409 2.551 20 0 CFADRP Fc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261692552 383543590 /nfs/dbraw/zinc/54/35/90/383543590.db2.gz NNPQKBOHNOZDIG-LRDDRELGSA-N 2 0 285.366 2.558 20 0 CFADRP CN(CCOc1ccccc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261693387 383543724 /nfs/dbraw/zinc/54/37/24/383543724.db2.gz BKMWKIXMPJWWPM-HNNXBMFYSA-N 2 0 282.815 2.650 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000262170070 383611086 /nfs/dbraw/zinc/61/10/86/383611086.db2.gz UZVDQDQDGZUSAH-GFCCVEGCSA-N 2 0 282.815 2.909 20 0 CFADRP Cc1nc(C)c([C@H](C)N(C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261904904 383578024 /nfs/dbraw/zinc/57/80/24/383578024.db2.gz WTPFUGMNSHXPHC-FZMZJTMJSA-N 2 0 267.442 2.752 20 0 CFADRP C[C@H](CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000261918520 383579434 /nfs/dbraw/zinc/57/94/34/383579434.db2.gz KERLWICCFFAUBB-WQVCFCJDSA-N 2 0 262.372 2.756 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000429983814 383580083 /nfs/dbraw/zinc/58/00/83/383580083.db2.gz IVYJMDYLDVLBLM-UHFFFAOYSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430915318 383611390 /nfs/dbraw/zinc/61/13/90/383611390.db2.gz CEEMIUCHOZYHKL-INIZCTEOSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261921419 383580315 /nfs/dbraw/zinc/58/03/15/383580315.db2.gz YSUZEOLYIVCHGK-HNNXBMFYSA-N 2 0 291.420 2.882 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ncc(C(C)(C)C)s1 ZINC000261920461 383580395 /nfs/dbraw/zinc/58/03/95/383580395.db2.gz KJKUSUOWVHCXGY-GHMZBOCLSA-N 2 0 267.442 2.610 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261923284 383580773 /nfs/dbraw/zinc/58/07/73/383580773.db2.gz BVDZFNVHIFRLBN-WBVHZDCISA-N 2 0 276.399 2.690 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261950812 383584261 /nfs/dbraw/zinc/58/42/61/383584261.db2.gz NYYIULYQEMODPQ-DZGCQCFKSA-N 2 0 276.424 2.817 20 0 CFADRP c1ccc(OCC2CC2)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261950881 383584270 /nfs/dbraw/zinc/58/42/70/383584270.db2.gz FYDKCOTZYQVZJT-GOSISDBHSA-N 2 0 286.419 2.661 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3scnc3C3CC3)C[C@H]21 ZINC000261965513 383587414 /nfs/dbraw/zinc/58/74/14/383587414.db2.gz PUZOXTCVINNUDS-JHJVBQTASA-N 2 0 277.437 2.580 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3scnc3C3CC3)C[C@@H]21 ZINC000261965514 383587480 /nfs/dbraw/zinc/58/74/80/383587480.db2.gz PUZOXTCVINNUDS-RWMBFGLXSA-N 2 0 277.437 2.580 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000261969905 383589174 /nfs/dbraw/zinc/58/91/74/383589174.db2.gz PXKMHKDPWLKZNP-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000261978519 383589433 /nfs/dbraw/zinc/58/94/33/383589433.db2.gz HACOXYNVRYSXJN-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000261978524 383589915 /nfs/dbraw/zinc/58/99/15/383589915.db2.gz HACOXYNVRYSXJN-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cccc2c(NC[C@@H](C)C[NH+](C)C)c(C)c[nH+]c12 ZINC000489004251 383591280 /nfs/dbraw/zinc/59/12/80/383591280.db2.gz AVDSTLWYSYNZPX-GFCCVEGCSA-N 2 0 271.408 2.883 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261995467 383592107 /nfs/dbraw/zinc/59/21/07/383592107.db2.gz STUDUOQOWPOMBJ-LBPRGKRZSA-N 2 0 290.436 2.699 20 0 CFADRP [NH3+]CCN(CCc1ccccc1)Cc1cc(O)cc(F)c1 ZINC000262017571 383594349 /nfs/dbraw/zinc/59/43/49/383594349.db2.gz MVNSEPUPVFBRAO-UHFFFAOYSA-N 2 0 288.366 2.535 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000262028176 383596479 /nfs/dbraw/zinc/59/64/79/383596479.db2.gz WWXVZRZHDYGNHV-ZDUSSCGKSA-N 2 0 280.387 2.785 20 0 CFADRP Cc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)s1 ZINC000570380572 383598596 /nfs/dbraw/zinc/59/85/96/383598596.db2.gz JBSGRNKYMHLBPT-AWEZNQCLSA-N 2 0 252.427 2.844 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000262125285 383606919 /nfs/dbraw/zinc/60/69/19/383606919.db2.gz XQCZEIIFEPYXFQ-OWCLPIDISA-N 2 0 250.430 2.888 20 0 CFADRP FCC1CC[NH+](C/C=C/C[NH+]2CCC(CF)CC2)CC1 ZINC000451394058 383607094 /nfs/dbraw/zinc/60/70/94/383607094.db2.gz NXEUIOUDJYKDAH-OWOJBTEDSA-N 2 0 286.410 2.906 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261770072 383556666 /nfs/dbraw/zinc/55/66/66/383556666.db2.gz MFGCGMJRWZHOHK-QGZVFWFLSA-N 2 0 284.407 2.556 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000261778090 383558152 /nfs/dbraw/zinc/55/81/52/383558152.db2.gz FGURLDYTWWPWFG-VIFPVBQESA-N 2 0 258.818 2.961 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000261778024 383558550 /nfs/dbraw/zinc/55/85/50/383558550.db2.gz FDQYNGPLYOGQNE-LLVKDONJSA-N 2 0 290.436 2.697 20 0 CFADRP CCc1cccc(F)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000261782227 383559505 /nfs/dbraw/zinc/55/95/05/383559505.db2.gz FNXUBIKUIDGOMQ-UHFFFAOYSA-N 2 0 250.361 2.559 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261786336 383559565 /nfs/dbraw/zinc/55/95/65/383559565.db2.gz KARFONKUESHKOU-AWEZNQCLSA-N 2 0 289.423 2.738 20 0 CFADRP CCCc1csc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000261780321 383560135 /nfs/dbraw/zinc/56/01/35/383560135.db2.gz FKDMDWMKISDGGI-LLVKDONJSA-N 2 0 267.442 2.655 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000528510456 383561629 /nfs/dbraw/zinc/56/16/29/383561629.db2.gz AKBFJPJUXKLXRU-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000261850646 383569816 /nfs/dbraw/zinc/56/98/16/383569816.db2.gz WQHSACBYJSJTHR-HNNXBMFYSA-N 2 0 269.392 2.713 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000570899831 383645317 /nfs/dbraw/zinc/64/53/17/383645317.db2.gz KYUORKDBIRUETJ-AWEZNQCLSA-N 2 0 293.455 2.936 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CCn1ccnc1C)C2 ZINC000570949714 383651015 /nfs/dbraw/zinc/65/10/15/383651015.db2.gz IDBILGYVDWRFGW-UHFFFAOYSA-N 2 0 285.391 2.649 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451427416 383613371 /nfs/dbraw/zinc/61/33/71/383613371.db2.gz XDNJFOPWGUFBIA-BBWFWOEESA-N 2 0 291.439 2.597 20 0 CFADRP CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000430933154 383613450 /nfs/dbraw/zinc/61/34/50/383613450.db2.gz HFXLBMXFVZZKFF-UHFFFAOYSA-N 2 0 292.398 2.800 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000430936356 383614036 /nfs/dbraw/zinc/61/40/36/383614036.db2.gz UNHGVAZUWBMQTB-OAHLLOKOSA-N 2 0 284.403 2.760 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430936678 383614092 /nfs/dbraw/zinc/61/40/92/383614092.db2.gz VSRCXZMEMDLUDQ-OAHLLOKOSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430974353 383617334 /nfs/dbraw/zinc/61/73/34/383617334.db2.gz YWXIHJLWQHZZAO-DOMZBBRYSA-N 2 0 266.816 2.942 20 0 CFADRP C[C@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430970883 383617748 /nfs/dbraw/zinc/61/77/48/383617748.db2.gz IYDXBRAHSJQOOG-YOEHRIQHSA-N 2 0 284.403 2.888 20 0 CFADRP COc1ccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000262416826 383619989 /nfs/dbraw/zinc/61/99/89/383619989.db2.gz DRJFFQSAIAEKKV-MSOLQXFVSA-N 2 0 296.414 2.890 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000570708606 383627563 /nfs/dbraw/zinc/62/75/63/383627563.db2.gz FUEJNZQBNFZDSX-IUODEOHRSA-N 2 0 258.365 2.911 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)C1 ZINC000572060145 383750987 /nfs/dbraw/zinc/75/09/87/383750987.db2.gz SCUMJSFTGZPWJP-NCOADZHNSA-N 2 0 274.408 2.624 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCC[C@@H]2CCOC2)CC1 ZINC000645811821 383756600 /nfs/dbraw/zinc/75/66/00/383756600.db2.gz NJPZUXZOGSIPPC-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423464870 533008248 /nfs/dbraw/zinc/00/82/48/533008248.db2.gz RHNORNIJLFSNCU-BFHYXJOUSA-N 2 0 262.397 2.863 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccncc1 ZINC000453095387 383764185 /nfs/dbraw/zinc/76/41/85/383764185.db2.gz QXNQKESDVIFGFK-KRWDZBQOSA-N 2 0 291.439 2.623 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000571156516 383668324 /nfs/dbraw/zinc/66/83/24/383668324.db2.gz NWMOOEHILDKXGP-NSHDSACASA-N 2 0 275.421 2.947 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000640016259 383673141 /nfs/dbraw/zinc/67/31/41/383673141.db2.gz WMDYVZVKRGKTJY-INIZCTEOSA-N 2 0 282.472 2.734 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000645336527 383674592 /nfs/dbraw/zinc/67/45/92/383674592.db2.gz FCGNEQDVHPNQIS-NVXWUHKLSA-N 2 0 289.423 2.594 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000453213747 383803837 /nfs/dbraw/zinc/80/38/37/383803837.db2.gz AWOSTQQKHPWOAB-KRWDZBQOSA-N 2 0 292.471 2.763 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000453246073 383813793 /nfs/dbraw/zinc/81/37/93/383813793.db2.gz COBDWKBNKAFPNK-IKGGRYGDSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1nnc([C@H](C)N(C)CCCC[NH+]2CCCCC2)o1 ZINC000640531870 383818641 /nfs/dbraw/zinc/81/86/41/383818641.db2.gz SCYKKHSPQQGYRA-ZDUSSCGKSA-N 2 0 280.416 2.637 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccncc1 ZINC000640530971 383818953 /nfs/dbraw/zinc/81/89/53/383818953.db2.gz KGSGRNMQSFRRPQ-UHFFFAOYSA-N 2 0 261.413 2.780 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@H]1CCC[NH+]1C ZINC000640532196 383818981 /nfs/dbraw/zinc/81/89/81/383818981.db2.gz BIVWPNLBBOLDNA-QGZVFWFLSA-N 3 0 281.488 2.669 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)CCC[NH2+]C)C1(C)C ZINC000435885664 383781093 /nfs/dbraw/zinc/78/10/93/383781093.db2.gz MPOOKTKONFMCOU-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1C ZINC000436255230 383793573 /nfs/dbraw/zinc/79/35/73/383793573.db2.gz WTYSMOZVIIYVRM-FZMZJTMJSA-N 2 0 290.436 2.711 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000530866361 383799231 /nfs/dbraw/zinc/79/92/31/383799231.db2.gz NZCRATPGUUVGHC-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP Fc1cccc2[nH]c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc21 ZINC000436288484 383800309 /nfs/dbraw/zinc/80/03/09/383800309.db2.gz KQQSEOOCVOMUTM-LBPRGKRZSA-N 2 0 287.382 2.881 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000572948373 383844590 /nfs/dbraw/zinc/84/45/90/383844590.db2.gz WSRZBWIVCZDMOQ-LEOABGAYSA-N 2 0 268.445 2.652 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646095929 383867682 /nfs/dbraw/zinc/86/76/82/383867682.db2.gz FACJXWWULFQDEF-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646106760 383874317 /nfs/dbraw/zinc/87/43/17/383874317.db2.gz RAQABVNYULZHLO-UHFFFAOYSA-N 2 0 288.435 2.600 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000531706580 383908473 /nfs/dbraw/zinc/90/84/73/383908473.db2.gz HSBIMXTWUBGTRZ-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000573338122 383914657 /nfs/dbraw/zinc/91/46/57/383914657.db2.gz DPIGCDXNQBXQCH-SQNIBIBYSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(C2CC2)s1 ZINC000573434377 383928445 /nfs/dbraw/zinc/92/84/45/383928445.db2.gz USWGUDSHLIQYNY-FZMZJTMJSA-N 2 0 279.453 2.793 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422780233 533019770 /nfs/dbraw/zinc/01/97/70/533019770.db2.gz KAAOVRBNNUXNKP-INIZCTEOSA-N 2 0 278.440 2.828 20 0 CFADRP c1cncc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC000573451099 383933259 /nfs/dbraw/zinc/93/32/59/383933259.db2.gz UBKBVLNHHIAOJE-SFHVURJKSA-N 2 0 293.414 2.717 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000573197905 383888256 /nfs/dbraw/zinc/88/82/56/383888256.db2.gz LJWURVZFJZKVRL-MCIONIFRSA-N 2 0 250.386 2.708 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000422814547 533020695 /nfs/dbraw/zinc/02/06/95/533020695.db2.gz VJDVQBVKOXSEGH-DLBZAZTESA-N 2 0 276.424 2.790 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]3O)CC2)C1 ZINC000453635927 383895052 /nfs/dbraw/zinc/89/50/52/383895052.db2.gz VXQOMFITAXKRKW-AHCXZYCDSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000437089007 383899929 /nfs/dbraw/zinc/89/99/29/383899929.db2.gz MTXAIEQRVUNMCX-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)C1CCOCC1 ZINC000532225286 383995691 /nfs/dbraw/zinc/99/56/91/383995691.db2.gz KJDUXBVDBKEHKQ-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000532224933 383995843 /nfs/dbraw/zinc/99/58/43/383995843.db2.gz LYTZKYUHFZXEJE-SPUZQDLCSA-N 2 0 272.436 2.938 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H]1CC ZINC000532233254 383998379 /nfs/dbraw/zinc/99/83/79/383998379.db2.gz CGWXUYVHGUYIIO-KFWWJZLASA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000573831089 383998604 /nfs/dbraw/zinc/99/86/04/383998604.db2.gz MFIHOAZTVQWJKB-LTDKPHRXSA-N 2 0 288.435 2.712 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cncnc2C)CC1 ZINC000573506079 383942526 /nfs/dbraw/zinc/94/25/26/383942526.db2.gz PZHHPOGFKWWWJD-CYBMUJFWSA-N 2 0 276.428 2.558 20 0 CFADRP CCC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000531937295 383943874 /nfs/dbraw/zinc/94/38/74/383943874.db2.gz VXVJVLVXONXMGX-DZGCQCFKSA-N 2 0 289.423 2.607 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC[C@@H]1CCOC1 ZINC000438085744 383946247 /nfs/dbraw/zinc/94/62/47/383946247.db2.gz DNCBPSIMVOWZSU-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000531970883 383947766 /nfs/dbraw/zinc/94/77/66/383947766.db2.gz TTYCJGRECFELBW-ZIAGYGMSSA-N 2 0 274.408 2.709 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000438176496 383963413 /nfs/dbraw/zinc/96/34/13/383963413.db2.gz KRAFLFTYIAQKHF-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000573973757 384021345 /nfs/dbraw/zinc/02/13/45/384021345.db2.gz XDTGUPKBJNZUCC-UHFFFAOYSA-N 2 0 292.423 2.655 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000574307588 384076779 /nfs/dbraw/zinc/07/67/79/384076779.db2.gz MVUMPKLQKKTIMV-AWEZNQCLSA-N 2 0 284.407 2.523 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000574538934 384113250 /nfs/dbraw/zinc/11/32/50/384113250.db2.gz INCNIDUIKYPXJS-LBPRGKRZSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000574531392 384113424 /nfs/dbraw/zinc/11/34/24/384113424.db2.gz BCBCYDWEKMBBFF-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CCC1CCCCCC1 ZINC000574844415 384152851 /nfs/dbraw/zinc/15/28/51/384152851.db2.gz HNUKTGHLGGMUDQ-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccccc1 ZINC000266580112 384203030 /nfs/dbraw/zinc/20/30/30/384203030.db2.gz HQDBSNWHZXGWBZ-DLBZAZTESA-N 2 0 276.424 2.526 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000637856506 384227109 /nfs/dbraw/zinc/22/71/09/384227109.db2.gz CLBBPWZOEVNFSU-ZDUSSCGKSA-N 2 0 287.407 2.521 20 0 CFADRP CCCCOC(=O)CN(C)CCCc1nccn1CCC ZINC000277262135 384247960 /nfs/dbraw/zinc/24/79/60/384247960.db2.gz QYPXXQSLZLHHQD-UHFFFAOYSA-N 2 0 295.427 2.501 20 0 CFADRP CC[C@](C)(C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000637888341 384250289 /nfs/dbraw/zinc/25/02/89/384250289.db2.gz CNKMOPOSFAXBOQ-MRXNPFEDSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@H+](Cc1ccc(C)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000420302279 285099204 /nfs/dbraw/zinc/09/92/04/285099204.db2.gz BQTFPJYURVTPNY-MRXNPFEDSA-N 2 0 261.413 2.662 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637904678 384264930 /nfs/dbraw/zinc/26/49/30/384264930.db2.gz FWWHKHCZBPAOTN-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@](C)(CC)OC)CC1 ZINC000637905703 384265611 /nfs/dbraw/zinc/26/56/11/384265611.db2.gz OFCZQFSTIHKOHI-MRXNPFEDSA-N 2 0 270.461 2.855 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000641707428 384278104 /nfs/dbraw/zinc/27/81/04/384278104.db2.gz LPIDMJLPRDGECR-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@](C)(CC)OC)CC1 ZINC000637955856 384306341 /nfs/dbraw/zinc/30/63/41/384306341.db2.gz NTLKSROGRZCNHS-OAHLLOKOSA-N 2 0 256.434 2.608 20 0 CFADRP CC[C@](C)(C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC000637957002 384306639 /nfs/dbraw/zinc/30/66/39/384306639.db2.gz CXDMVUDOMWLSGN-MRXNPFEDSA-N 2 0 270.461 2.854 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@](C)(OC)C2CC2)CC1 ZINC000637956146 384306961 /nfs/dbraw/zinc/30/69/61/384306961.db2.gz RAPKEHRNXDKYHT-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000637965500 384312746 /nfs/dbraw/zinc/31/27/46/384312746.db2.gz SRNQTPZEKNPNCY-UHFFFAOYSA-N 2 0 279.403 2.572 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000641707739 384280675 /nfs/dbraw/zinc/28/06/75/384280675.db2.gz PMOVTOGRWOJNBH-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641806923 384373941 /nfs/dbraw/zinc/37/39/41/384373941.db2.gz SKYFDAGBTQVEMI-CVEARBPZSA-N 2 0 292.423 2.570 20 0 CFADRP CCc1nc(C)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000641798522 384364200 /nfs/dbraw/zinc/36/42/00/384364200.db2.gz NNKRTQHTNRVXLO-KBPBESRZSA-N 2 0 277.412 2.509 20 0 CFADRP CC1(C)[C@H]([NH2+]CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000641801809 384368992 /nfs/dbraw/zinc/36/89/92/384368992.db2.gz VUPUVNBNUCXHDR-QWHCGFSZSA-N 2 0 268.401 2.633 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1nsc2ccccc12 ZINC000641802218 384370730 /nfs/dbraw/zinc/37/07/30/384370730.db2.gz ZSDDGBAZEZJGCX-KBPBESRZSA-N 2 0 275.421 2.554 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2nsc3ccccc23)C[C@@H]1[NH3+] ZINC000641802220 384370842 /nfs/dbraw/zinc/37/08/42/384370842.db2.gz ZSDDGBAZEZJGCX-UONOGXRCSA-N 2 0 275.421 2.554 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1Cl ZINC000641802346 384371041 /nfs/dbraw/zinc/37/10/41/384371041.db2.gz JKDGWUAYIJQYSN-QWHCGFSZSA-N 2 0 268.788 2.564 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c2ccccc2n1 ZINC000641803299 384371907 /nfs/dbraw/zinc/37/19/07/384371907.db2.gz SGZWEHPXCCJUMH-JKSUJKDBSA-N 2 0 269.392 2.759 20 0 CFADRP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)ccc1SC ZINC000641804293 384372827 /nfs/dbraw/zinc/37/28/27/384372827.db2.gz XYAVIPVDPQFZED-KGLIPLIRSA-N 2 0 280.437 2.633 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC[C@@H]3CCO3)C2)CC1 ZINC000637977821 384324529 /nfs/dbraw/zinc/32/45/29/384324529.db2.gz KLCISJZGWZRNSV-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP C(C[C@H]1CCO1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104289 384418991 /nfs/dbraw/zinc/41/89/91/384418991.db2.gz GDTOTUGPBXZFJT-HOTGVXAUSA-N 2 0 266.429 2.506 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000638106136 384419249 /nfs/dbraw/zinc/41/92/49/384419249.db2.gz ZWSYDIKFDKIMGK-GVDBMIGSSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)OC ZINC000638111470 384424880 /nfs/dbraw/zinc/42/48/80/384424880.db2.gz FJGGIFPOHSEYPC-VGWMRTNUSA-N 2 0 270.461 2.710 20 0 CFADRP CCC(F)(F)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000641824593 384380474 /nfs/dbraw/zinc/38/04/74/384380474.db2.gz USOROXYFHCPCDS-ZDUSSCGKSA-N 2 0 260.372 2.743 20 0 CFADRP CCC(F)(F)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000641824592 384380600 /nfs/dbraw/zinc/38/06/00/384380600.db2.gz USOROXYFHCPCDS-CYBMUJFWSA-N 2 0 260.372 2.743 20 0 CFADRP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423330466 533061204 /nfs/dbraw/zinc/06/12/04/533061204.db2.gz FZVVZDSKQIKUBF-RYUDHWBXSA-N 2 0 250.411 2.669 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180378 384474256 /nfs/dbraw/zinc/47/42/56/384474256.db2.gz KJRPDWVODYPFQT-LAQRGFTBSA-N 2 0 294.483 2.996 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc2c(n1)CCCC2 ZINC000278180487 384492215 /nfs/dbraw/zinc/49/22/15/384492215.db2.gz BMECTSRZUIQFTE-QWQRMKEZSA-N 2 0 287.451 2.779 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@@H]1C ZINC000638299648 384540503 /nfs/dbraw/zinc/54/05/03/384540503.db2.gz KSKWSSNNUMMSFW-FMKPAKJESA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000638357082 384580698 /nfs/dbraw/zinc/58/06/98/384580698.db2.gz VDTNMCPPHATALB-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP CO[C@H](C[NH2+]C[C@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000638385715 384612040 /nfs/dbraw/zinc/61/20/40/384612040.db2.gz JFUYYTMVICHLCF-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[NH2+]CC1CCSCC1)C[NH+]1CCCCC1 ZINC000638390654 384615219 /nfs/dbraw/zinc/61/52/19/384615219.db2.gz LVAKNMRVWUPECB-CQSZACIVSA-N 2 0 270.486 2.841 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638408810 384630472 /nfs/dbraw/zinc/63/04/72/384630472.db2.gz GBQIROIHULHJTB-OAHLLOKOSA-N 2 0 285.435 3.000 20 0 CFADRP Cc1cnc(CNCCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000638365818 384591233 /nfs/dbraw/zinc/59/12/33/384591233.db2.gz INVGAGBPLUJQGK-CYBMUJFWSA-N 2 0 265.401 2.727 20 0 CFADRP c1cc(N2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)cc[nH+]1 ZINC000278612541 384591223 /nfs/dbraw/zinc/59/12/23/384591223.db2.gz DBZTUYWSEXYERY-HNNXBMFYSA-N 2 0 291.464 2.641 20 0 CFADRP Cc1nnsc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000638371248 384596416 /nfs/dbraw/zinc/59/64/16/384596416.db2.gz PBFWTTKSMMMQCQ-CHWSQXEVSA-N 2 0 296.484 2.694 20 0 CFADRP COCC1(C[NH2+]CCCC[NH+]2CCC(C)CC2)CCC1 ZINC000638370658 384596859 /nfs/dbraw/zinc/59/68/59/384596859.db2.gz DYQLYIJVDFWNMK-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497806 384663165 /nfs/dbraw/zinc/66/31/65/384663165.db2.gz JZVSVZDNGYRMAR-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497688 384663190 /nfs/dbraw/zinc/66/31/90/384663190.db2.gz REKWYBBPCJGTLS-ZDUSSCGKSA-N 2 0 252.427 2.658 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000268823933 384668535 /nfs/dbraw/zinc/66/85/35/384668535.db2.gz SRBRZAPPIDGGHE-CKEIUWERSA-N 2 0 276.424 2.904 20 0 CFADRP Cn1c(C[NH2+]CCCC[NH+](C)C)cc2ccccc21 ZINC000638451096 384668827 /nfs/dbraw/zinc/66/88/27/384668827.db2.gz KPERAGFUBKCAOZ-UHFFFAOYSA-N 2 0 259.397 2.610 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638450259 384669170 /nfs/dbraw/zinc/66/91/70/384669170.db2.gz CZULATXXBAFGGM-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]C1CCC([NH3+])CC1 ZINC000643503524 384673429 /nfs/dbraw/zinc/67/34/29/384673429.db2.gz PHRYZPHCBRTOGW-OTTFEQOBSA-N 2 0 252.427 2.929 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453218 384634767 /nfs/dbraw/zinc/63/47/67/384634767.db2.gz PMVRPEWDOVWBAN-DAXOMENPSA-N 2 0 293.842 2.636 20 0 CFADRP COc1ccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000643453916 384634955 /nfs/dbraw/zinc/63/49/55/384634955.db2.gz HLPIFVZFVRGIMP-YIONKMFJSA-N 2 0 299.418 2.592 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000643455968 384635575 /nfs/dbraw/zinc/63/55/75/384635575.db2.gz FQQNBOVVVOFNKL-HOCLYGCPSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457430 384636999 /nfs/dbraw/zinc/63/69/99/384636999.db2.gz AVFQUBLAEBDUMV-BQFCYCMXSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456599 384637652 /nfs/dbraw/zinc/63/76/52/384637652.db2.gz MHAVCCVODHQCCD-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000643460280 384642702 /nfs/dbraw/zinc/64/27/02/384642702.db2.gz JIANIEXRGYQCQK-QWHCGFSZSA-N 2 0 284.407 2.698 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000643466752 384646853 /nfs/dbraw/zinc/64/68/53/384646853.db2.gz MNQOUXPRFXVEDM-KFWWJZLASA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])[C@@H]1CCCCO1 ZINC000643466861 384646999 /nfs/dbraw/zinc/64/69/99/384646999.db2.gz VNUZGCSCGMXCQR-KFWWJZLASA-N 2 0 268.445 2.831 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000643467794 384648383 /nfs/dbraw/zinc/64/83/83/384648383.db2.gz KWMDKOVEGNFRNC-UKRRQHHQSA-N 2 0 290.407 2.641 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000643467784 384648443 /nfs/dbraw/zinc/64/84/43/384648443.db2.gz IVRHDLHSACIXTI-RYUDHWBXSA-N 2 0 250.361 2.920 20 0 CFADRP CC(C)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000643467425 384648534 /nfs/dbraw/zinc/64/85/34/384648534.db2.gz CAPWKFKXMAHDFY-GDBMZVCRSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000643467785 384648838 /nfs/dbraw/zinc/64/88/38/384648838.db2.gz IVRHDLHSACIXTI-VXGBXAGGSA-N 2 0 250.361 2.920 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(N2CCCC2)n1 ZINC000643471249 384652521 /nfs/dbraw/zinc/65/25/21/384652521.db2.gz JIHIUKNPKQHTTN-AWEZNQCLSA-N 2 0 290.455 2.597 20 0 CFADRP COc1cccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000643476342 384654242 /nfs/dbraw/zinc/65/42/42/384654242.db2.gz OXGDRIKZWVSYOL-SJLPKXTDSA-N 2 0 288.435 2.748 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000643475703 384655105 /nfs/dbraw/zinc/65/51/05/384655105.db2.gz BSFIFXBYHJDTKN-NFOMZHRRSA-N 2 0 256.434 2.830 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643477929 384655350 /nfs/dbraw/zinc/65/53/50/384655350.db2.gz BRBRZLKAUZPBMN-VKJFTORMSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000643480617 384657072 /nfs/dbraw/zinc/65/70/72/384657072.db2.gz HHZBWHONMAHHEC-JOYOIKCWSA-N 2 0 270.323 2.505 20 0 CFADRP CC[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643481486 384657420 /nfs/dbraw/zinc/65/74/20/384657420.db2.gz YGBYATUTQDWLAB-HIEASXQVSA-N 2 0 288.435 2.854 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC000268775942 384659948 /nfs/dbraw/zinc/65/99/48/384659948.db2.gz NPZRIDFGVHEMBB-BBRMVZONSA-N 2 0 274.408 2.614 20 0 CFADRP Cc1cc([C@@H](C)NCC[NH2+]C2CC2)cc(C)c1F ZINC000643507105 384676571 /nfs/dbraw/zinc/67/65/71/384676571.db2.gz SGKNFIATWMCAMD-GFCCVEGCSA-N 2 0 250.361 2.845 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643546878 384723999 /nfs/dbraw/zinc/72/39/99/384723999.db2.gz WBZXPOUBVUZLAL-RHSMWYFYSA-N 2 0 286.419 2.947 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]CCC1=CC[NH2+]CC1)C2 ZINC000643545576 384724664 /nfs/dbraw/zinc/72/46/64/384724664.db2.gz KGRGLDBIQAFRLE-SFHVURJKSA-N 2 0 270.420 2.833 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)s1 ZINC000643545512 384725425 /nfs/dbraw/zinc/72/54/25/384725425.db2.gz PAWCUBXUAQWIOL-SNVBAGLBSA-N 2 0 265.426 2.720 20 0 CFADRP Cc1ncc([C@H](C)NC[C@H]([NH3+])c2ccccc2)s1 ZINC000643508946 384680090 /nfs/dbraw/zinc/68/00/90/384680090.db2.gz VNGCHEKFZGRIBY-GWCFXTLKSA-N 2 0 261.394 2.802 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000643509255 384681092 /nfs/dbraw/zinc/68/10/92/384681092.db2.gz PMQHPBXNZVIQPK-NHYWBVRUSA-N 2 0 264.800 2.917 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)C12CCCC2 ZINC000643508280 384681161 /nfs/dbraw/zinc/68/11/61/384681161.db2.gz ANWBKSDEPGEDKT-LSDHHAIUSA-N 2 0 268.445 2.702 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000643512411 384682558 /nfs/dbraw/zinc/68/25/58/384682558.db2.gz VQVOJEXFTNQSJL-LVQVYYBASA-N 2 0 290.455 2.553 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518176 384684618 /nfs/dbraw/zinc/68/46/18/384684618.db2.gz XEUXXGDBBBZYKL-GFCCVEGCSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000643518722 384684928 /nfs/dbraw/zinc/68/49/28/384684928.db2.gz RGPHGHBPVCTGFG-BBRMVZONSA-N 2 0 261.413 2.739 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522115 384688249 /nfs/dbraw/zinc/68/82/49/384688249.db2.gz ICCBDGRYVGQWBP-GDBMZVCRSA-N 2 0 274.408 2.940 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1N(C)C ZINC000643522461 384688448 /nfs/dbraw/zinc/68/84/48/384688448.db2.gz NKGRFXKFOZCDEH-UONOGXRCSA-N 2 0 261.413 2.545 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643522350 384688620 /nfs/dbraw/zinc/68/86/20/384688620.db2.gz LYNGXSHUFYFVRD-CJNGLKHVSA-N 2 0 260.381 2.501 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522163 384688947 /nfs/dbraw/zinc/68/89/47/384688947.db2.gz JAMVRLCCBYLNKD-DOMZBBRYSA-N 2 0 260.381 2.501 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000643522038 384689530 /nfs/dbraw/zinc/68/95/30/384689530.db2.gz GRCORQXUWHQOIQ-TZMCWYRMSA-N 2 0 279.403 2.684 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H](C)C2 ZINC000643522587 384689824 /nfs/dbraw/zinc/68/98/24/384689824.db2.gz PQVUOSIABFJZJQ-UKPHBRMFSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000268912306 384691863 /nfs/dbraw/zinc/69/18/63/384691863.db2.gz NBIVLWGSCDEYQP-DZGCQCFKSA-N 2 0 282.453 2.636 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC000643525799 384693614 /nfs/dbraw/zinc/69/36/14/384693614.db2.gz OOFAPMAKKQDCHQ-BPYAMOTFSA-N 2 0 266.335 2.682 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548953 384726982 /nfs/dbraw/zinc/72/69/82/384726982.db2.gz XXQDXJCRRKOMHS-QLFBSQMISA-N 2 0 280.456 2.843 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000643533730 384705701 /nfs/dbraw/zinc/70/57/01/384705701.db2.gz CMAXPXPOLYRWCH-RNCFNFMXSA-N 2 0 284.325 2.897 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000643533238 384705713 /nfs/dbraw/zinc/70/57/13/384705713.db2.gz WWKRJCUYRJIJML-LSDHHAIUSA-N 2 0 291.439 2.819 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643534402 384705938 /nfs/dbraw/zinc/70/59/38/384705938.db2.gz TYKFYKVEVCTCON-IRXDYDNUSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534486 384706178 /nfs/dbraw/zinc/70/61/78/384706178.db2.gz VWCFOVMVIGVQFR-QMTHXVAHSA-N 2 0 266.335 2.758 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCCC13CCOCC3)CC[NH2+]2 ZINC000643548119 384727374 /nfs/dbraw/zinc/72/73/74/384727374.db2.gz MRVDIPFAJPXJQI-CABCVRRESA-N 2 0 278.440 2.600 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535007 384707446 /nfs/dbraw/zinc/70/74/46/384707446.db2.gz HHOLLVXMCKKCFP-AAEUAGOBSA-N 2 0 291.464 2.815 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534632 384707606 /nfs/dbraw/zinc/70/76/06/384707606.db2.gz ZEJXRPKMLNLHBG-BBRMVZONSA-N 2 0 274.408 2.796 20 0 CFADRP CCC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534743 384707691 /nfs/dbraw/zinc/70/76/91/384707691.db2.gz BLQYDVCPAHMSCJ-CABCVRRESA-N 2 0 259.397 2.655 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000643535354 384709465 /nfs/dbraw/zinc/70/94/65/384709465.db2.gz CFEUBLYQQPKHLO-BSWAZPDLSA-N 2 0 270.420 2.910 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(F)c1F ZINC000643535213 384709882 /nfs/dbraw/zinc/70/98/82/384709882.db2.gz KMVVWLDJGUHVRV-ZWNOBZJWSA-N 2 0 266.335 2.758 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536748 384710936 /nfs/dbraw/zinc/71/09/36/384710936.db2.gz WGWGMHYEURAYEW-JKSUJKDBSA-N 2 0 274.383 2.935 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(C2CCCC2)c1 ZINC000643536201 384711225 /nfs/dbraw/zinc/71/12/25/384711225.db2.gz NZIOLKSXSDDNJY-CJNGLKHVSA-N 2 0 288.439 2.791 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643536526 384711643 /nfs/dbraw/zinc/71/16/43/384711643.db2.gz UPLNDCUMDGQJOP-DOTOQJQBSA-N 2 0 286.419 2.940 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536991 384713076 /nfs/dbraw/zinc/71/30/76/384713076.db2.gz ZUHLQJBLVCPBJP-GOEBONIOSA-N 2 0 273.424 2.525 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536981 384713462 /nfs/dbraw/zinc/71/34/62/384713462.db2.gz XSIPDKMBNQUNQK-ZBFHGGJFSA-N 2 0 272.392 2.632 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000643543792 384721794 /nfs/dbraw/zinc/72/17/94/384721794.db2.gz WDUXFAGTECRFOI-MLGOLLRUSA-N 2 0 272.396 2.849 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(C)n1 ZINC000643541926 384721825 /nfs/dbraw/zinc/72/18/25/384721825.db2.gz SZPHPCZAUBTYRC-ZFWWWQNUSA-N 2 0 261.413 2.881 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000643541878 384722893 /nfs/dbraw/zinc/72/28/93/384722893.db2.gz KETXSZDMBHATKT-JQWIXIFHSA-N 2 0 253.415 2.634 20 0 CFADRP CC[C@](C)(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)OC ZINC000638602326 384775451 /nfs/dbraw/zinc/77/54/51/384775451.db2.gz BQGXQLJDNSMWGF-UKRRQHHQSA-N 2 0 258.450 2.758 20 0 CFADRP CCN1CCCC[C@H]1C[NH2+]CC1CCSCC1 ZINC000638605152 384777319 /nfs/dbraw/zinc/77/73/19/384777319.db2.gz JEGKMXCVUCRHID-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)s1 ZINC000643549154 384729584 /nfs/dbraw/zinc/72/95/84/384729584.db2.gz KTRVBHKNBIAOER-KQURDKLPSA-N 2 0 279.453 2.799 20 0 CFADRP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC000279714973 384734590 /nfs/dbraw/zinc/73/45/90/384734590.db2.gz TVPZYSIITYJCSC-CEXWTWQISA-N 2 0 298.430 2.743 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000638566263 384745567 /nfs/dbraw/zinc/74/55/67/384745567.db2.gz FKCCYTQXZLOUQU-MGPQQGTHSA-N 2 0 256.459 2.590 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000638566461 384745687 /nfs/dbraw/zinc/74/56/87/384745687.db2.gz JRONSIUQCRVVEI-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000638566132 384745941 /nfs/dbraw/zinc/74/59/41/384745941.db2.gz BFBDOOVMGJGMTE-HZPDHXFCSA-N 2 0 270.461 2.758 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638566890 384748476 /nfs/dbraw/zinc/74/84/76/384748476.db2.gz QSPGEGHBHPDILJ-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2ccnn2-c2ccccc2)CC[N@@H+]1C ZINC000279847418 384785331 /nfs/dbraw/zinc/78/53/31/384785331.db2.gz OSRDAEUXBRCNJZ-RDJZCZTQSA-N 2 0 298.434 2.787 20 0 CFADRP CC(C)(C)CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638638168 384800046 /nfs/dbraw/zinc/80/00/46/384800046.db2.gz CKGDXUWGXNCMOB-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP CO[C@](C)(C[NH2+]CCC[NH+](C(C)C)C(C)C)C1CC1 ZINC000638736735 384877005 /nfs/dbraw/zinc/87/70/05/384877005.db2.gz UDFHGNXKZSCEBF-MRXNPFEDSA-N 2 0 270.461 2.900 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[NH+](C)C)cc1OC ZINC000280088842 384879726 /nfs/dbraw/zinc/87/97/26/384879726.db2.gz YYPUYFROWIPAPY-KBPBESRZSA-N 2 0 294.439 2.737 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000279989724 384842227 /nfs/dbraw/zinc/84/22/27/384842227.db2.gz RCEYZHMLKVMVLV-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC000638701922 384849514 /nfs/dbraw/zinc/84/95/14/384849514.db2.gz WTHXRGWEDLTRQS-NIOBXDJOSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638773545 384909549 /nfs/dbraw/zinc/90/95/49/384909549.db2.gz BXIQHDPPKRDJFE-MDZRGWNJSA-N 2 0 299.462 2.585 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269956598 384918725 /nfs/dbraw/zinc/91/87/25/384918725.db2.gz KNUONUCIUKBLHK-HOTGVXAUSA-N 2 0 298.434 2.561 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000644531456 384919995 /nfs/dbraw/zinc/91/99/95/384919995.db2.gz WKBMUQBYASZEIM-GOSISDBHSA-N 2 0 290.451 2.923 20 0 CFADRP C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000644532465 384922223 /nfs/dbraw/zinc/92/22/23/384922223.db2.gz RSUORPNSZODSRI-JKSUJKDBSA-N 2 0 290.451 2.922 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414758190 285144674 /nfs/dbraw/zinc/14/46/74/285144674.db2.gz MHCBHSSLNQNVPA-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000423500728 533100400 /nfs/dbraw/zinc/10/04/00/533100400.db2.gz IQSKFVOPYBHRDX-UGFHNGPFSA-N 2 0 282.815 2.745 20 0 CFADRP CCCN(C)[C@@H](C[NH2+]C[C@@H](C)O)c1ccc(Cl)cc1 ZINC000644644858 384974248 /nfs/dbraw/zinc/97/42/48/384974248.db2.gz NIFQFCLEBOUSSA-DOMZBBRYSA-N 2 0 284.831 2.693 20 0 CFADRP CO[C@](C)(C[NH2+]Cc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000638851490 384986337 /nfs/dbraw/zinc/98/63/37/384986337.db2.gz MDKDAIKBSSMSRQ-QGZVFWFLSA-N 2 0 276.424 2.653 20 0 CFADRP CC1(C)CC([NH2+]Cc2ccc(CO)cc2)CC(C)(C)[NH2+]1 ZINC000638861889 384994053 /nfs/dbraw/zinc/99/40/53/384994053.db2.gz BKIWFGSGGXYWSH-UHFFFAOYSA-N 2 0 276.424 2.578 20 0 CFADRP CC(C)(C)[C@]1(C[NH2+]CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000638863132 384996118 /nfs/dbraw/zinc/99/61/18/384996118.db2.gz KJYGJYIPBWKJQE-SFHVURJKSA-N 2 0 290.451 2.507 20 0 CFADRP CN1CC[C@H]([NH2+]C2CC(n3cccn3)C2)[C@@H]1c1ccccc1 ZINC000638830719 384962065 /nfs/dbraw/zinc/96/20/65/384962065.db2.gz GGZFHZDKYANATE-FOIPXRHGSA-N 2 0 296.418 2.622 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423494327 533103039 /nfs/dbraw/zinc/10/30/39/533103039.db2.gz CYLUWFCRBVNDAA-DCAQKATOSA-N 2 0 254.399 2.535 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000337532050 285149026 /nfs/dbraw/zinc/14/90/26/285149026.db2.gz VTWWEMLEIZXFNN-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP COCCC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000270388800 385082729 /nfs/dbraw/zinc/08/27/29/385082729.db2.gz XUCIXKMEPMKQEC-HNNXBMFYSA-N 2 0 287.407 2.846 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000639039089 385111274 /nfs/dbraw/zinc/11/12/74/385111274.db2.gz ZXWHBUSMSVECEI-RWMBFGLXSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000639039088 385111911 /nfs/dbraw/zinc/11/19/11/385111911.db2.gz ZXWHBUSMSVECEI-FRRDWIJNSA-N 2 0 260.372 2.884 20 0 CFADRP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCCN(C)C1 ZINC000644883245 385114515 /nfs/dbraw/zinc/11/45/15/385114515.db2.gz BKRNRGNZBSPYCA-HAZIXKIPSA-N 2 0 288.435 2.920 20 0 CFADRP CC[C@](C)(C[NH2+]CC1(C[NH+](C)C)CCCC1)OC ZINC000639045879 385122390 /nfs/dbraw/zinc/12/23/90/385122390.db2.gz DNJPUQGFVIKMQN-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000270517509 385132307 /nfs/dbraw/zinc/13/23/07/385132307.db2.gz SOIUKZLHZXGPTR-WBVHZDCISA-N 2 0 274.408 2.611 20 0 CFADRP COc1cc2c(NC[C@H](C)[NH+](C)C)cc[nH+]c2cc1F ZINC000280746808 385138291 /nfs/dbraw/zinc/13/82/91/385138291.db2.gz PCBRHULCQMSMBK-JTQLQIEISA-N 2 0 277.343 2.745 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289177508 197255068 /nfs/dbraw/zinc/25/50/68/197255068.db2.gz IBAPTXDIMRPDAT-PBHICJAKSA-N 2 0 276.424 2.793 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4cnccc43)C2)C1 ZINC000644843074 385099023 /nfs/dbraw/zinc/09/90/23/385099023.db2.gz MUAPKYCVPPCEKF-GOSISDBHSA-N 2 0 281.403 2.762 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000639102360 385193744 /nfs/dbraw/zinc/19/37/44/385193744.db2.gz KONGHXKRLDZFDA-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP COCC1(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCC1 ZINC000639103595 385194283 /nfs/dbraw/zinc/19/42/83/385194283.db2.gz PVSOZXANDSKHAP-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000639107603 385199728 /nfs/dbraw/zinc/19/97/28/385199728.db2.gz AAURZFLAXIPNJX-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000289156658 197248518 /nfs/dbraw/zinc/24/85/18/197248518.db2.gz DICBKMKVYULTSW-OAHLLOKOSA-N 2 0 275.440 2.644 20 0 CFADRP C[C@H](O)CC[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639107209 385199967 /nfs/dbraw/zinc/19/99/67/385199967.db2.gz YXHFQVVDOOMAQZ-ZVZYQTTQSA-N 2 0 288.435 2.715 20 0 CFADRP COc1cc(C)c([C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000639112931 385207624 /nfs/dbraw/zinc/20/76/24/385207624.db2.gz ISZLSJJKHXYQGN-OAGGEKHMSA-N 2 0 288.435 2.866 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639117104 385214559 /nfs/dbraw/zinc/21/45/59/385214559.db2.gz CSZOEASCCTVCFW-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCOC(C)(C)C)C2)C1 ZINC000645187739 385232921 /nfs/dbraw/zinc/23/29/21/385232921.db2.gz DAVIVOFHAABZTR-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000645199599 385238256 /nfs/dbraw/zinc/23/82/56/385238256.db2.gz QPNDTVHEYNHULM-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000282291320 385273890 /nfs/dbraw/zinc/27/38/90/385273890.db2.gz BZKPTJOOACQERD-OKZBNKHCSA-N 2 0 288.435 2.553 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000639170544 385276792 /nfs/dbraw/zinc/27/67/92/385276792.db2.gz UPWMYDKOFDXDBH-NXOAAHMSSA-N 2 0 292.467 2.654 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC000639176203 385282476 /nfs/dbraw/zinc/28/24/76/385282476.db2.gz DAOMHHROBBSVHT-MXASKKJJSA-N 2 0 262.441 2.696 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176648 385285189 /nfs/dbraw/zinc/28/51/89/385285189.db2.gz IRIVJVFNYYVKDE-USXIJHARSA-N 2 0 282.472 2.711 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CCCCC1 ZINC000639177400 385286847 /nfs/dbraw/zinc/28/68/47/385286847.db2.gz DBXKWKHDTYBORZ-OKZBNKHCSA-N 2 0 294.483 2.998 20 0 CFADRP c1cc2cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000282338771 385287572 /nfs/dbraw/zinc/28/75/72/385287572.db2.gz OQWCLCKSWWUOJS-DLBZAZTESA-N 2 0 283.419 2.927 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282361929 385292234 /nfs/dbraw/zinc/29/22/34/385292234.db2.gz PTOQZJOMQRNZHO-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCSCC2)C1 ZINC000639180830 385292760 /nfs/dbraw/zinc/29/27/60/385292760.db2.gz ZJSVELPXKHUGCJ-GJZGRUSLSA-N 2 0 268.470 2.546 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000376162633 285162792 /nfs/dbraw/zinc/16/27/92/285162792.db2.gz MZVYBYKNSVFQTP-BHYGNILZSA-N 2 0 276.424 2.694 20 0 CFADRP OCCCN1CCC[C@@H]1C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639217056 385342850 /nfs/dbraw/zinc/34/28/50/385342850.db2.gz DIQWDLWRYWMLPU-GOSISDBHSA-N 2 0 292.467 2.846 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639224527 385349827 /nfs/dbraw/zinc/34/98/27/385349827.db2.gz LSFNMLCBZLGRKN-HNNXBMFYSA-N 2 0 282.472 2.946 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(C2CC2)no1 ZINC000639230702 385358899 /nfs/dbraw/zinc/35/88/99/385358899.db2.gz DTJRXXYRLFOHEH-UHFFFAOYSA-N 2 0 265.401 2.762 20 0 CFADRP CO[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000639230701 385359059 /nfs/dbraw/zinc/35/90/59/385359059.db2.gz DSPNPSMSTJYVPQ-QGZVFWFLSA-N 2 0 292.467 2.954 20 0 CFADRP CO[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)C1CCCC1 ZINC000639230692 385359100 /nfs/dbraw/zinc/35/91/00/385359100.db2.gz DQDFDNUXPBQLGQ-HNNXBMFYSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCCC1 ZINC000639236501 385366913 /nfs/dbraw/zinc/36/69/13/385366913.db2.gz SMIHWAVUAYZQBV-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]1C[C@@H](Nc2ccc(C[NH+](C)C)cc2F)CC[N@@H+]1C ZINC000639263595 385391991 /nfs/dbraw/zinc/39/19/91/385391991.db2.gz XANBAQVPFVHPGB-JSGCOSHPSA-N 2 0 279.403 2.782 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCCCC1 ZINC000639312993 385440058 /nfs/dbraw/zinc/44/00/58/385440058.db2.gz PRDAWMYMTBQPJB-IMJJTQAJSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCCN2CCCC[C@H]12)OC ZINC000639302024 385429242 /nfs/dbraw/zinc/42/92/42/385429242.db2.gz JWZYTBKLTFSUES-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP c1cnn(C2CC([NH2+]C[C@@H]3CCN3C3CCCCC3)C2)c1 ZINC000639345833 385469263 /nfs/dbraw/zinc/46/92/63/385469263.db2.gz OVWNXIRGLZPYTE-WIHSUSGWSA-N 2 0 288.439 2.583 20 0 CFADRP Cn1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc2ccccc21 ZINC000639348740 385471721 /nfs/dbraw/zinc/47/17/21/385471721.db2.gz ZJOYXPXWSVNFHV-OAHLLOKOSA-N 2 0 285.435 3.000 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000639335864 385461685 /nfs/dbraw/zinc/46/16/85/385461685.db2.gz YKCOROUDHLPKOD-SWLSCSKDSA-N 2 0 268.470 2.592 20 0 CFADRP C(CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000639338298 385464026 /nfs/dbraw/zinc/46/40/26/385464026.db2.gz SYANRIVVURVDEI-QGZVFWFLSA-N 2 0 280.456 2.515 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](C)COC)CC1 ZINC000639376217 385493560 /nfs/dbraw/zinc/49/35/60/385493560.db2.gz YLBUOBQLKOXNSA-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639379406 385496340 /nfs/dbraw/zinc/49/63/40/385496340.db2.gz XUUSKXYCOPLXQK-CABCVRRESA-N 2 0 270.461 2.854 20 0 CFADRP CCc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)s1 ZINC000639395484 385513916 /nfs/dbraw/zinc/51/39/16/385513916.db2.gz AIQOJGGWSKVLRK-HNNXBMFYSA-N 2 0 264.438 2.837 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000639454890 385539472 /nfs/dbraw/zinc/53/94/72/385539472.db2.gz JQUZWKFSEQRMJS-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP CCc1nc(C)cc(N(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000286227156 385574703 /nfs/dbraw/zinc/57/47/03/385574703.db2.gz TYWLUOOOPMCAEH-UHFFFAOYSA-N 2 0 276.428 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272610853 385575401 /nfs/dbraw/zinc/57/54/01/385575401.db2.gz ZWPKPPYMNHVRCI-RYQLBKOJSA-N 2 0 288.435 2.666 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000272556315 385564260 /nfs/dbraw/zinc/56/42/60/385564260.db2.gz MXVPVHGDVIPBGT-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812578 385621184 /nfs/dbraw/zinc/62/11/84/385621184.db2.gz NRKIWXKSACGPRA-CGTJXYLNSA-N 2 0 290.451 2.504 20 0 CFADRP Cc1ncc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639681971 385659697 /nfs/dbraw/zinc/65/96/97/385659697.db2.gz CCFJDXKOTWFVPR-UHFFFAOYSA-N 2 0 288.420 2.559 20 0 CFADRP c1cc(N2CCC[N@@H+](CC[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000639701870 385673136 /nfs/dbraw/zinc/67/31/36/385673136.db2.gz FIOVRVHGQIEENH-KRWDZBQOSA-N 2 0 289.423 2.553 20 0 CFADRP Cc1cc(N(C)CCC[N@H+](C)Cc2ccco2)cc[nH+]1 ZINC000286701298 385690612 /nfs/dbraw/zinc/69/06/12/385690612.db2.gz ZNQNNGGHAVQMNY-UHFFFAOYSA-N 2 0 273.380 2.941 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC000639757655 385697429 /nfs/dbraw/zinc/69/74/29/385697429.db2.gz KYAXKFDUEGQSEZ-UHFFFAOYSA-N 2 0 279.453 2.678 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)cn3)C2)CC1 ZINC000639756247 385697452 /nfs/dbraw/zinc/69/74/52/385697452.db2.gz SQPWPEFROUTBHY-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)ccc1C ZINC000639755872 385697663 /nfs/dbraw/zinc/69/76/63/385697663.db2.gz PUWXFJQMXRHHEE-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP CCc1cc(CCC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)on1 ZINC000639755452 385697791 /nfs/dbraw/zinc/69/77/91/385697791.db2.gz LPGZRVQZTMRRFC-UHFFFAOYSA-N 2 0 291.439 2.587 20 0 CFADRP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)sc1C ZINC000639755769 385697852 /nfs/dbraw/zinc/69/78/52/385697852.db2.gz MPSBRQUEUANPGF-UHFFFAOYSA-N 2 0 279.453 2.678 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000639755500 385697913 /nfs/dbraw/zinc/69/79/13/385697913.db2.gz MJEWIBVAVTUHDQ-UHFFFAOYSA-N 2 0 290.455 2.556 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC000639756305 385698016 /nfs/dbraw/zinc/69/80/16/385698016.db2.gz UYJIIMVRIZOUDY-OWCLPIDISA-N 2 0 262.441 2.840 20 0 CFADRP Cc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000274367630 385779069 /nfs/dbraw/zinc/77/90/69/385779069.db2.gz PDNFSZDMUFNIPD-ZIAGYGMSSA-N 2 0 277.412 2.690 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000639984339 385805659 /nfs/dbraw/zinc/80/56/59/385805659.db2.gz TWMSKRGOGYUZSR-QGZVFWFLSA-N 2 0 294.483 2.878 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000274866975 385887020 /nfs/dbraw/zinc/88/70/20/385887020.db2.gz RPIWKOLFTXLOGP-BRSBDYLESA-N 2 0 270.420 2.959 20 0 CFADRP C[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977993 385905837 /nfs/dbraw/zinc/90/58/37/385905837.db2.gz YVFVFDSBCNFQPH-RYRKJORJSA-N 2 0 290.451 2.505 20 0 CFADRP CC/C=C\CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000681025211 542401866 /nfs/dbraw/zinc/40/18/66/542401866.db2.gz LSLOXKVVMNMXMH-WRANKLGHSA-N 2 0 266.429 2.526 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccccc1F ZINC000275238013 385963997 /nfs/dbraw/zinc/96/39/97/385963997.db2.gz GINYTZPKNOGITL-WFASDCNBSA-N 2 0 250.361 2.598 20 0 CFADRP C[NH+](C)C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000275293716 385972022 /nfs/dbraw/zinc/97/20/22/385972022.db2.gz OYJHPZJCWSMOFG-LLVKDONJSA-N 2 0 270.779 2.863 20 0 CFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccccc1 ZINC000288504586 197097226 /nfs/dbraw/zinc/09/72/26/197097226.db2.gz IGJSIDGZQNVSHU-UHFFFAOYSA-N 2 0 299.418 2.702 20 0 CFADRP c1cnc2cc(C[NH2+]CCC[NH+]3CCCCC3)ccc2n1 ZINC000124329018 413012398 /nfs/dbraw/zinc/01/23/98/413012398.db2.gz DPKGTPVHGPEHMU-UHFFFAOYSA-N 2 0 284.407 2.595 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1OC ZINC000423245741 533167875 /nfs/dbraw/zinc/16/78/75/533167875.db2.gz JIDOQMBHRSNJBU-KBPBESRZSA-N 2 0 292.423 2.662 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422808098 533176932 /nfs/dbraw/zinc/17/69/32/533176932.db2.gz AFKLDDUYEDYOFI-MJBXVCDLSA-N 2 0 264.413 2.904 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000447573677 285234154 /nfs/dbraw/zinc/23/41/54/285234154.db2.gz SVELDPQKZJQLQY-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCC[NH3+])cc1F ZINC000423184327 533201662 /nfs/dbraw/zinc/20/16/62/533201662.db2.gz IINJKGCDZLUTEX-HIFRSBDPSA-N 2 0 280.387 2.799 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000575151470 322720330 /nfs/dbraw/zinc/72/03/30/322720330.db2.gz JOEJSYMNPKAISX-HZPDHXFCSA-N 2 0 281.488 2.939 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420305990 533206634 /nfs/dbraw/zinc/20/66/34/533206634.db2.gz QFNWVQQAXQBPQZ-WBVHZDCISA-N 2 0 288.435 2.874 20 0 CFADRP Cc1ncc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1 ZINC000681681120 542478516 /nfs/dbraw/zinc/47/85/16/542478516.db2.gz MLZCOKZFJRMRRP-AWEZNQCLSA-N 2 0 290.455 2.818 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000338002066 285316961 /nfs/dbraw/zinc/31/69/61/285316961.db2.gz STAQEJDIGUDMMF-XWTMOSNGSA-N 2 0 292.467 2.533 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O)cc2)C[C@H]1C ZINC000682404366 542548019 /nfs/dbraw/zinc/54/80/19/542548019.db2.gz DAOYSTFXBNRCJE-HIFRSBDPSA-N 2 0 262.397 2.697 20 0 CFADRP CC[C@@H](C)C[C@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200462 542570845 /nfs/dbraw/zinc/57/08/45/542570845.db2.gz RHINIAINRVMYAB-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@H]1[NH3+] ZINC000134104003 413045258 /nfs/dbraw/zinc/04/52/58/413045258.db2.gz MMYYVBPAWHTBPJ-HOCLYGCPSA-N 2 0 269.392 2.794 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423169336 285373273 /nfs/dbraw/zinc/37/32/73/285373273.db2.gz JDPZAAFKOYDFAP-GVDBMIGSSA-N 2 0 290.451 2.770 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414753159 285381168 /nfs/dbraw/zinc/38/11/68/285381168.db2.gz DEWGSOSSESWOPC-JQHSSLGASA-N 2 0 290.451 2.564 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000414838881 533266548 /nfs/dbraw/zinc/26/65/48/533266548.db2.gz LUFYYYFZDZQZPS-PBHICJAKSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422730194 533352582 /nfs/dbraw/zinc/35/25/82/533352582.db2.gz LTFNEADXZOZOFX-UXLLHSPISA-N 2 0 289.467 2.846 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000423319212 533355867 /nfs/dbraw/zinc/35/58/67/533355867.db2.gz DEIANEQHJNDSEQ-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H](C1C[NH2+]C1)[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000423169092 533389249 /nfs/dbraw/zinc/38/92/49/533389249.db2.gz ZDFZBLWXKUTUQS-LBPRGKRZSA-N 2 0 294.389 2.827 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422944702 533364724 /nfs/dbraw/zinc/36/47/24/533364724.db2.gz LZMCZKNCYHTVKO-BBRMVZONSA-N 2 0 276.424 2.703 20 0 CFADRP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422787395 533379568 /nfs/dbraw/zinc/37/95/68/533379568.db2.gz QETSXEIYTOTTPZ-OAHLLOKOSA-N 2 0 298.434 2.667 20 0 CFADRP C[C@@H]([NH2+]C/C=C/c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423165026 533326924 /nfs/dbraw/zinc/32/69/24/533326924.db2.gz XPGNTYVWQXZVBQ-KXMPLOMGSA-N 2 0 295.224 2.660 20 0 CFADRP C[C@@H]([NH2+]C1CC(c2ccc(F)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423101532 533331038 /nfs/dbraw/zinc/33/10/38/533331038.db2.gz NKJXIMFKCCOLPI-CBZQXFMTSA-N 2 0 282.790 2.923 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000414860459 533445234 /nfs/dbraw/zinc/44/52/34/533445234.db2.gz VNQXRTMCLQCPFT-ZJUUUORDSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414851979 533447310 /nfs/dbraw/zinc/44/73/10/533447310.db2.gz JTLKKDCLZGGXBJ-YPMHNXCESA-N 2 0 284.350 2.766 20 0 CFADRP COc1cccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420329083 533452313 /nfs/dbraw/zinc/45/23/13/533452313.db2.gz GBJCVAUZFPXSAP-CALCHBBNSA-N 2 0 288.435 2.559 20 0 CFADRP COc1c(C)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000414771241 533396941 /nfs/dbraw/zinc/39/69/41/533396941.db2.gz QQAJFYONQUDBOM-CALCHBBNSA-N 2 0 288.435 2.743 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000423250846 533402141 /nfs/dbraw/zinc/40/21/41/533402141.db2.gz RBGVOVMMYHGELC-GHMZBOCLSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@@H]([NH2+]CCc1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000422729065 533403527 /nfs/dbraw/zinc/40/35/27/533403527.db2.gz BDESMTJUHZGUKI-SECBINFHSA-N 2 0 273.207 2.733 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423347758 533415830 /nfs/dbraw/zinc/41/58/30/533415830.db2.gz QZLVGEPXJNEEQL-ZDUSSCGKSA-N 2 0 260.381 2.574 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422936435 533457102 /nfs/dbraw/zinc/45/71/02/533457102.db2.gz BPQLKAGPYLGABZ-DOTOQJQBSA-N 2 0 276.424 2.735 20 0 CFADRP COc1ccc(C2([NH2+]C3CCC(C[NH3+])CC3)CC2)cc1 ZINC000422940495 533427430 /nfs/dbraw/zinc/42/74/30/533427430.db2.gz SWSCRPFWASJQMS-UHFFFAOYSA-N 2 0 274.408 2.791 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000423120479 533436653 /nfs/dbraw/zinc/43/66/53/533436653.db2.gz GVTYHCKJSKXXIL-YOEHRIQHSA-N 2 0 288.435 2.834 20 0 CFADRP COc1ccc(CCC2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000414679794 533463470 /nfs/dbraw/zinc/46/34/70/533463470.db2.gz RYUJDMQZQGEDAP-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP COc1ccc(CCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422731560 533474404 /nfs/dbraw/zinc/47/44/04/533474404.db2.gz HLQSYXFDACFLSH-UHFFFAOYSA-N 2 0 276.424 2.735 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422728964 533476248 /nfs/dbraw/zinc/47/62/48/533476248.db2.gz BCUUYJODGIIWCP-WBVHZDCISA-N 2 0 276.424 2.735 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422725543 533499553 /nfs/dbraw/zinc/49/95/53/533499553.db2.gz BSUKAHRXGCEGAS-ZDUSSCGKSA-N 2 0 299.418 2.751 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422725542 533502121 /nfs/dbraw/zinc/50/21/21/533502121.db2.gz BSUKAHRXGCEGAS-CYBMUJFWSA-N 2 0 299.418 2.751 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422775928 533508650 /nfs/dbraw/zinc/50/86/50/533508650.db2.gz CNCGKJIHSKGLFK-CPUCHLNUSA-N 2 0 276.424 2.746 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422784249 533512263 /nfs/dbraw/zinc/51/22/63/533512263.db2.gz NUOBYZQPOBYVBR-HZSPNIEDSA-N 2 0 264.413 2.732 20 0 CFADRP COc1cc(C)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414800564 533573827 /nfs/dbraw/zinc/57/38/27/533573827.db2.gz LCGXKCPDYCYLOB-ZFWWWQNUSA-N 2 0 292.423 2.619 20 0 CFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000423264487 533575027 /nfs/dbraw/zinc/57/50/27/533575027.db2.gz CALYUUBMGZFHBI-UKRRQHHQSA-N 2 0 294.439 2.516 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414888638 533579953 /nfs/dbraw/zinc/57/99/53/533579953.db2.gz FJIYEJOMTKTDNK-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cccc2[nH]ccc21 ZINC000423116392 533538501 /nfs/dbraw/zinc/53/85/01/533538501.db2.gz PQYZMFFOLYNCAD-ZDUSSCGKSA-N 2 0 259.397 2.818 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422958405 533538901 /nfs/dbraw/zinc/53/89/01/533538901.db2.gz XPNMMBGTVQRTTB-UONOGXRCSA-N 2 0 264.413 2.733 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000415019064 533539173 /nfs/dbraw/zinc/53/91/73/533539173.db2.gz VMTHFOZZTMDBSO-ZDUSSCGKSA-N 2 0 290.386 2.619 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000415020843 533539353 /nfs/dbraw/zinc/53/93/53/533539353.db2.gz XUWKYZBEMQNREX-KBPBESRZSA-N 2 0 292.423 2.844 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423282402 533540035 /nfs/dbraw/zinc/54/00/35/533540035.db2.gz VYWXJZRUIZFDHL-IAGOWNOFSA-N 2 0 276.424 2.589 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000422747590 533541118 /nfs/dbraw/zinc/54/11/18/533541118.db2.gz QONPAWNFODJYRA-HOTGVXAUSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000422918928 533553432 /nfs/dbraw/zinc/55/34/32/533553432.db2.gz IZYGELWEEDWMEE-RYUDHWBXSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422832283 533553587 /nfs/dbraw/zinc/55/35/87/533553587.db2.gz FMRKRKHRCKSITC-WFASDCNBSA-N 2 0 264.438 2.734 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000422925039 533553634 /nfs/dbraw/zinc/55/36/34/533553634.db2.gz UXWGGCNHTIHPKP-RYUDHWBXSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1Br ZINC000422824955 533553846 /nfs/dbraw/zinc/55/38/46/533553846.db2.gz IPIMQLICAJZWTD-NSHDSACASA-N 2 0 285.229 2.709 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415028600 533554042 /nfs/dbraw/zinc/55/40/42/533554042.db2.gz ZBCJVMLIKZIFSK-JTQLQIEISA-N 2 0 294.349 2.572 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423138473 533554829 /nfs/dbraw/zinc/55/48/29/533554829.db2.gz SVYDHTHUEFOSJC-STQMWFEESA-N 2 0 290.386 2.789 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423321607 533567391 /nfs/dbraw/zinc/56/73/91/533567391.db2.gz GOYIEQBEGTWRSV-HNNXBMFYSA-N 2 0 275.440 2.772 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423246848 533609314 /nfs/dbraw/zinc/60/93/14/533609314.db2.gz KJLMHZSRYOIRTR-KGLIPLIRSA-N 2 0 292.423 2.662 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000422838245 533659794 /nfs/dbraw/zinc/65/97/94/533659794.db2.gz WUMQFARGAYSTNH-HOCLYGCPSA-N 2 0 260.425 2.942 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC(C)(C)[NH3+] ZINC000423287362 533652979 /nfs/dbraw/zinc/65/29/79/533652979.db2.gz LSUGQMUWSRGTNK-JTQLQIEISA-N 2 0 256.340 2.613 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH2+]CC1 ZINC000423191015 533655697 /nfs/dbraw/zinc/65/56/97/533655697.db2.gz UABDMBWMYLVVHX-NSHDSACASA-N 2 0 268.351 2.628 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])c2ccccc12 ZINC000414880910 533666141 /nfs/dbraw/zinc/66/61/41/533666141.db2.gz RHXZSHORPWNOCB-LBPRGKRZSA-N 2 0 258.365 2.533 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911619 533670060 /nfs/dbraw/zinc/67/00/60/533670060.db2.gz WYFMPVHWPNASAM-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000342175187 130310967 /nfs/dbraw/zinc/31/09/67/130310967.db2.gz UKCJYKOQGJETHU-UHFFFAOYSA-N 2 0 277.412 2.648 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000356684535 130396386 /nfs/dbraw/zinc/39/63/86/130396386.db2.gz VOXFHDRJAXWDTA-LBPRGKRZSA-N 2 0 299.484 2.633 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000683227244 542656135 /nfs/dbraw/zinc/65/61/35/542656135.db2.gz RGMLXTBHTGFIFU-MRXNPFEDSA-N 2 0 275.440 2.669 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CC2)CC1 ZINC000264645754 285526271 /nfs/dbraw/zinc/52/62/71/285526271.db2.gz GZYWTIYPXUMSRU-UHFFFAOYSA-N 2 0 253.349 2.519 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000192477615 413058396 /nfs/dbraw/zinc/05/83/96/413058396.db2.gz UYIDMZNPHIWCEH-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC000297762975 393447408 /nfs/dbraw/zinc/44/74/08/393447408.db2.gz OVSMFFQOWNVFPD-ZBFHGGJFSA-N 2 0 296.480 2.944 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000299989483 393464718 /nfs/dbraw/zinc/46/47/18/393464718.db2.gz KFLRLUZMRLWHCT-QXULXFAOSA-N 2 0 278.440 2.693 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)C12CCC2 ZINC000181517131 393496737 /nfs/dbraw/zinc/49/67/37/393496737.db2.gz KOQOZXQAYWTJMC-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000313835689 393524676 /nfs/dbraw/zinc/52/46/76/393524676.db2.gz AXODZYNARXRANN-QGZVFWFLSA-N 2 0 292.471 2.619 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000037213740 393530066 /nfs/dbraw/zinc/53/00/66/393530066.db2.gz ODDUAAZUODBHRP-HNNXBMFYSA-N 2 0 250.361 2.818 20 0 CFADRP CCC[N@H+](Cc1cc(C)ccc1OC)C1CC[NH2+]CC1 ZINC000037539094 393531635 /nfs/dbraw/zinc/53/16/35/393531635.db2.gz MZJPMNVIVANMQO-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000037649044 393533704 /nfs/dbraw/zinc/53/37/04/393533704.db2.gz DQEJGZJHRIZHSU-OLZOCXBDSA-N 2 0 292.398 2.969 20 0 CFADRP CCC[N@H+](C[C@@H](OC)c1ccccc1)C1CC[NH2+]CC1 ZINC000379229089 393551450 /nfs/dbraw/zinc/55/14/50/393551450.db2.gz RZDHBIHVGKGIIW-QGZVFWFLSA-N 2 0 276.424 2.838 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000684372079 542795029 /nfs/dbraw/zinc/79/50/29/542795029.db2.gz GRIULGQRFDATHQ-GOEBONIOSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000684380754 542796663 /nfs/dbraw/zinc/79/66/63/542796663.db2.gz YZWMMCXXWOLNTR-HZPDHXFCSA-N 2 0 294.414 2.935 20 0 CFADRP C[C@@H]1CCC[C@](C[NH2+]C2CCC(C[NH3+])CC2)(N(C)C)C1 ZINC000422729664 296493726 /nfs/dbraw/zinc/49/37/26/296493726.db2.gz CFLXHUZQNNUDRH-VXLLPVPCSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CCCCC[C@H]2[NH3+])([NH+](C)C)C1 ZINC000422729067 296494142 /nfs/dbraw/zinc/49/41/42/296494142.db2.gz BDRZYJKPNDPWEP-NCOADZHNSA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1)C(N)=O ZINC000333858339 393571873 /nfs/dbraw/zinc/57/18/73/393571873.db2.gz RMCHDHGVFAXMDY-UONOGXRCSA-N 2 0 281.444 2.792 20 0 CFADRP C[C@@H](c1cccc2ccccc21)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000387711465 393591943 /nfs/dbraw/zinc/59/19/43/393591943.db2.gz OJKHEPYAPKALDB-INIZCTEOSA-N 2 0 297.446 2.738 20 0 CFADRP CN(Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000394419910 393596200 /nfs/dbraw/zinc/59/62/00/393596200.db2.gz BUVSLIGPEVVQSL-SFHVURJKSA-N 2 0 298.434 2.505 20 0 CFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@@H]2C)CN1Cc1ccccc1 ZINC000191749166 393606127 /nfs/dbraw/zinc/60/61/27/393606127.db2.gz WAPDSDSREVZDKN-CWLKWCNXSA-N 2 0 288.435 2.664 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000334223976 393581557 /nfs/dbraw/zinc/58/15/57/393581557.db2.gz HDXBCXDRCBQUTI-SLTAFYQDSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401958467 393607265 /nfs/dbraw/zinc/60/72/65/393607265.db2.gz SAAWAJJJSYUPEV-QAPCUYQASA-N 2 0 288.435 2.666 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000386488419 393586732 /nfs/dbraw/zinc/58/67/32/393586732.db2.gz TYRKBSITWCOYQL-ROUUACIJSA-N 2 0 290.451 2.913 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000387585882 393590502 /nfs/dbraw/zinc/59/05/02/393590502.db2.gz RBXKIHRPIPENJF-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP COc1cccc(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC000048895069 393607676 /nfs/dbraw/zinc/60/76/76/393607676.db2.gz IBRKUQHGQCOXBJ-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC000049686690 393613847 /nfs/dbraw/zinc/61/38/47/393613847.db2.gz RJFUFGROJDGYJO-ZDUSSCGKSA-N 2 0 252.427 2.796 20 0 CFADRP C(C[N@@H+]1CCSC2(CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000334786558 393621986 /nfs/dbraw/zinc/62/19/86/393621986.db2.gz VQKJRUMJWCJOCP-CQSZACIVSA-N 2 0 268.470 2.738 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnn1C ZINC000192678023 393630295 /nfs/dbraw/zinc/63/02/95/393630295.db2.gz OZPZFUVYPUOUHD-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000334983889 393630957 /nfs/dbraw/zinc/63/09/57/393630957.db2.gz UGXVFADJXIFYNQ-NVXWUHKLSA-N 2 0 273.424 2.662 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335030157 393635093 /nfs/dbraw/zinc/63/50/93/393635093.db2.gz RFIUVCILWYINCN-YCUKKYJWSA-N 3 0 273.424 2.594 20 0 CFADRP Fc1cccc2c1SCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335059754 393638218 /nfs/dbraw/zinc/63/82/18/393638218.db2.gz OLXODPKEQQWFGE-AWEZNQCLSA-N 2 0 278.396 2.872 20 0 CFADRP c1[nH]c(CNCCC[NH+]2CCCC2)nc1-c1ccccc1 ZINC000194225333 393682700 /nfs/dbraw/zinc/68/27/00/393682700.db2.gz CVWOMZMOJXCVHE-UHFFFAOYSA-N 2 0 284.407 2.652 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC000335258912 393655908 /nfs/dbraw/zinc/65/59/08/393655908.db2.gz WAYWGFRQSGQQSQ-CHWSQXEVSA-N 2 0 262.372 2.572 20 0 CFADRP C[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411126819 393669679 /nfs/dbraw/zinc/66/96/79/393669679.db2.gz PYOOVLCDQXOSLE-INIZCTEOSA-N 2 0 288.435 2.893 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCCNc3ccccc32)CCC[NH2+]C1 ZINC000335485215 393671659 /nfs/dbraw/zinc/67/16/59/393671659.db2.gz AVBMRFUNYZBOPT-DLBZAZTESA-N 2 0 273.424 2.913 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H](C)C2 ZINC000335502034 393672874 /nfs/dbraw/zinc/67/28/74/393672874.db2.gz UAARIEOWHKDHMY-SUMWQHHRSA-N 2 0 256.393 2.738 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000088455517 393761974 /nfs/dbraw/zinc/76/19/74/393761974.db2.gz JRSAFRPDVZJYGI-WQGACYEGSA-N 2 0 250.430 2.741 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000336697980 393745763 /nfs/dbraw/zinc/74/57/63/393745763.db2.gz BRKQAOUBVMHNDY-MRXNPFEDSA-N 2 0 276.424 2.654 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000337325557 393757557 /nfs/dbraw/zinc/75/75/57/393757557.db2.gz BXDZUHKHFKEXHM-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP C1C[NH+](C2CCC([NH2+]C3CCCCCC3)CC2)CCN1 ZINC000335644368 393686072 /nfs/dbraw/zinc/68/60/72/393686072.db2.gz UKRJFXDWQKGQPL-UHFFFAOYSA-N 2 0 279.472 2.515 20 0 CFADRP CN1CCC[C@@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219585268 393760675 /nfs/dbraw/zinc/76/06/75/393760675.db2.gz IWPXZFRNSOYARY-GFCCVEGCSA-N 2 0 288.313 2.769 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000424334183 393834192 /nfs/dbraw/zinc/83/41/92/393834192.db2.gz YSQYVIYVDDSPLH-BBRMVZONSA-N 2 0 274.408 2.830 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424334483 393834214 /nfs/dbraw/zinc/83/42/14/393834214.db2.gz VQQJSGAYYIWRIL-DZJNRPSUSA-N 2 0 294.483 2.902 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000424334127 393834305 /nfs/dbraw/zinc/83/43/05/393834305.db2.gz NAVHVRDMUWJTIC-CHWSQXEVSA-N 2 0 268.788 2.578 20 0 CFADRP COCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000088568107 393763705 /nfs/dbraw/zinc/76/37/05/393763705.db2.gz GJLXIOQMNDHJDC-KRWDZBQOSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000222930240 393763993 /nfs/dbraw/zinc/76/39/93/393763993.db2.gz VVFGQMDNJQEIHS-YUSALJHKSA-N 2 0 254.324 2.885 20 0 CFADRP Cc1ccc(C)c(OCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424335939 393834878 /nfs/dbraw/zinc/83/48/78/393834878.db2.gz PTFQIDCKOCSJOO-HUUCEWRRSA-N 2 0 262.397 2.542 20 0 CFADRP CC(C)[N@@H+](C)CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000226340399 393770696 /nfs/dbraw/zinc/77/06/96/393770696.db2.gz CBQPUMPHKTZWIR-HZPDHXFCSA-N 2 0 269.477 2.617 20 0 CFADRP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CCOCC1 ZINC000337987299 393772380 /nfs/dbraw/zinc/77/23/80/393772380.db2.gz JJVRZJHTXWWTGU-HUUCEWRRSA-N 2 0 286.435 2.605 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3OC2)CN1C1CC1 ZINC000338025723 393772532 /nfs/dbraw/zinc/77/25/32/393772532.db2.gz XKDMQVFAZQBGRA-KBMXLJTQSA-N 2 0 286.419 2.595 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000229664186 393777487 /nfs/dbraw/zinc/77/74/87/393777487.db2.gz SUUVTNDPMYBXIV-IUODEOHRSA-N 2 0 257.381 2.740 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@H]1OC ZINC000090461996 393778063 /nfs/dbraw/zinc/77/80/63/393778063.db2.gz XJHVIVBJWRFKPP-AALSBFMBSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724390 393781184 /nfs/dbraw/zinc/78/11/84/393781184.db2.gz PVBWSFWZCIJRBQ-UMVBOHGHSA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000093215872 393797061 /nfs/dbraw/zinc/79/70/61/393797061.db2.gz FVXLXELVXZKHTE-QWRGUYRKSA-N 2 0 256.752 2.839 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414684246 393801985 /nfs/dbraw/zinc/80/19/85/393801985.db2.gz VCCMFNPUKLCIDA-CKEIUWERSA-N 2 0 258.409 2.994 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245412488 393802096 /nfs/dbraw/zinc/80/20/96/393802096.db2.gz ARMBJKZTTVILPY-WMLDXEAASA-N 2 0 294.414 2.867 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000093942403 393806569 /nfs/dbraw/zinc/80/65/69/393806569.db2.gz WSOFODPXYLOVGA-MLHJIOFPSA-N 2 0 295.515 2.817 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414839382 393806637 /nfs/dbraw/zinc/80/66/37/393806637.db2.gz XJDXNELNZYZXOQ-UONOGXRCSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)C[NH3+])CC3 ZINC000414870227 393806730 /nfs/dbraw/zinc/80/67/30/393806730.db2.gz BRPKKGPGSXLOKC-QWHCGFSZSA-N 2 0 271.408 2.518 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000414865794 393806772 /nfs/dbraw/zinc/80/67/72/393806772.db2.gz ZURIYCHCCUSYMR-JQFCIGGWSA-N 2 0 258.409 2.522 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414893065 393808047 /nfs/dbraw/zinc/80/80/47/393808047.db2.gz QYSOKOCMITVEDH-RISCZKNCSA-N 2 0 264.438 2.666 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414940787 393808818 /nfs/dbraw/zinc/80/88/18/393808818.db2.gz KLHZGGKJIDPARR-WMLDXEAASA-N 2 0 260.425 2.940 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000414897181 393808915 /nfs/dbraw/zinc/80/89/15/393808915.db2.gz BEPHPDFJUVSBMN-AWEZNQCLSA-N 2 0 291.439 2.856 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424291947 393815683 /nfs/dbraw/zinc/81/56/83/393815683.db2.gz MNQQOVKTENAQNX-ZLTXHLNPSA-N 2 0 250.430 2.741 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295189 393815995 /nfs/dbraw/zinc/81/59/95/393815995.db2.gz QVHOMCZTMJPRGD-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000245595225 393818380 /nfs/dbraw/zinc/81/83/80/393818380.db2.gz HHCVFJYFQVWKAX-DOTOQJQBSA-N 2 0 292.423 2.745 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000245649560 393820992 /nfs/dbraw/zinc/82/09/92/393820992.db2.gz CGDCFJFIQJDJSJ-IKGGRYGDSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000339410387 393823894 /nfs/dbraw/zinc/82/38/94/393823894.db2.gz RNNZITJBQDZDQJ-WBVHZDCISA-N 2 0 276.424 2.905 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000425353710 393877230 /nfs/dbraw/zinc/87/72/30/393877230.db2.gz JBGXHMBFDLNJMP-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOC1CCCCC1 ZINC000111635987 393886651 /nfs/dbraw/zinc/88/66/51/393886651.db2.gz HHUFOHBCJAPJBG-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000247004421 393891664 /nfs/dbraw/zinc/89/16/64/393891664.db2.gz KWUZVPSSKSJEEA-BRWVUGGUSA-N 2 0 287.451 2.585 20 0 CFADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247132269 393893964 /nfs/dbraw/zinc/89/39/64/393893964.db2.gz QNBILUIFDHISKT-HZPDHXFCSA-N 2 0 266.429 2.506 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CCO1 ZINC000424369388 393840612 /nfs/dbraw/zinc/84/06/12/393840612.db2.gz BKCKXMZOBRFRMH-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CCO1 ZINC000424369386 393840622 /nfs/dbraw/zinc/84/06/22/393840622.db2.gz BKCKXMZOBRFRMH-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000340288342 393841142 /nfs/dbraw/zinc/84/11/42/393841142.db2.gz INNASWGTRVIUOH-ZWKOTPCHSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@]1(C)CCCO1 ZINC000340473645 393843830 /nfs/dbraw/zinc/84/38/30/393843830.db2.gz JTFDYHBWJOKDGJ-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000340476118 393844014 /nfs/dbraw/zinc/84/40/14/393844014.db2.gz SXJMKZLUOWDRGI-IAGOWNOFSA-N 2 0 292.471 2.618 20 0 CFADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120021200 393928115 /nfs/dbraw/zinc/92/81/15/393928115.db2.gz MXRPPJTZSVGUPI-ZDUSSCGKSA-N 2 0 297.487 2.532 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000346546961 393931177 /nfs/dbraw/zinc/93/11/77/393931177.db2.gz ADYGMDGSXCBCKP-OAGGEKHMSA-N 2 0 282.472 2.636 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCOc3ccccc3)C2)C1 ZINC000429003649 393932895 /nfs/dbraw/zinc/93/28/95/393932895.db2.gz DALQGJAKJIQIIM-GOSISDBHSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]1C ZINC000252118360 393934331 /nfs/dbraw/zinc/93/43/31/393934331.db2.gz IYGSFOHXYOYFPV-HOSILWTGSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261549592 393947870 /nfs/dbraw/zinc/94/78/70/393947870.db2.gz KRJXUDPFLSKFNT-MCIONIFRSA-N 2 0 256.459 2.638 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261582562 393948175 /nfs/dbraw/zinc/94/81/75/393948175.db2.gz GQTIFANTIMOQLU-SJORKVTESA-N 2 0 258.409 2.994 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000348204462 393949080 /nfs/dbraw/zinc/94/90/80/393949080.db2.gz SUHFUOIRVJYMGG-YLFCFFPRSA-N 2 0 294.483 2.996 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@H]1C[C@H](OCC)C1(C)C ZINC000435876103 394019442 /nfs/dbraw/zinc/01/94/42/394019442.db2.gz HFBCWZYOWZTKOP-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000348649721 393955842 /nfs/dbraw/zinc/95/58/42/393955842.db2.gz XTRJGAJYERGSIA-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000481990455 393967620 /nfs/dbraw/zinc/96/76/20/393967620.db2.gz JJRVSZIYJVQRKF-QRJUGERDSA-N 2 0 252.446 2.989 20 0 CFADRP C[C@H](C[NH2+]C/C=C\c1ccncc1)C[NH+]1CCCCC1 ZINC000486927155 393972493 /nfs/dbraw/zinc/97/24/93/393972493.db2.gz KQJPNCUURCASCF-OGZRUICASA-N 2 0 273.424 2.806 20 0 CFADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H]1CCSC1 ZINC000486943731 393972972 /nfs/dbraw/zinc/97/29/72/393972972.db2.gz OKIARRHODJMRFP-LXTVHRRPSA-N 2 0 270.486 2.696 20 0 CFADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H]1CCSC1 ZINC000486943725 393973636 /nfs/dbraw/zinc/97/36/36/393973636.db2.gz OKIARRHODJMRFP-BARDWOONSA-N 2 0 270.486 2.696 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCSC2)C1 ZINC000486951375 393974528 /nfs/dbraw/zinc/97/45/28/393974528.db2.gz QCJSCUUMLOWQIB-CABCVRRESA-N 2 0 270.486 2.841 20 0 CFADRP CC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000126293263 394024309 /nfs/dbraw/zinc/02/43/09/394024309.db2.gz OKWBIABRPVKFRG-UHFFFAOYSA-N 2 0 275.440 2.669 20 0 CFADRP C[N@H+](CC(C)(C)C[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000430560738 393993519 /nfs/dbraw/zinc/99/35/19/393993519.db2.gz HYQCZZPIIYEXJJ-CQSZACIVSA-N 2 0 250.361 2.730 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000430578732 393996226 /nfs/dbraw/zinc/99/62/26/393996226.db2.gz FNHFWDZFLUINGM-FUHWJXTLSA-N 2 0 290.451 2.695 20 0 CFADRP [NH3+]CC1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000430589321 393996801 /nfs/dbraw/zinc/99/68/01/393996801.db2.gz DMCPXDFKBJACSS-UHFFFAOYSA-N 2 0 270.779 2.692 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSc1ccccc1 ZINC000124634221 393996861 /nfs/dbraw/zinc/99/68/61/393996861.db2.gz YEOCAACRSNCUQU-STQMWFEESA-N 2 0 250.411 2.590 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000430583282 393997299 /nfs/dbraw/zinc/99/72/99/393997299.db2.gz XJOPLZZMOFYVFD-UHFFFAOYSA-N 2 0 298.471 2.556 20 0 CFADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H]2c2ccccc2)n1 ZINC000430603976 393997743 /nfs/dbraw/zinc/99/77/43/393997743.db2.gz ZRQRARRBIBFPNJ-CYBMUJFWSA-N 2 0 286.379 2.601 20 0 CFADRP Cc1ccc(SCCN2CCC[NH2+]CC2)cc1C ZINC000430604479 393997871 /nfs/dbraw/zinc/99/78/71/393997871.db2.gz NKQLYSQDLPHUBB-UHFFFAOYSA-N 2 0 264.438 2.691 20 0 CFADRP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000124727179 393998489 /nfs/dbraw/zinc/99/84/89/393998489.db2.gz ACEUSAWEXYBAIL-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)([NH3+])c1noc(CN2CCC[C@H]2c2ccsc2)n1 ZINC000430598017 393998634 /nfs/dbraw/zinc/99/86/34/393998634.db2.gz NGNFNYUQBMGFFE-NSHDSACASA-N 2 0 292.408 2.662 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000430637043 394000678 /nfs/dbraw/zinc/00/06/78/394000678.db2.gz ANRIITQJJPEQSX-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP CC(C)(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000417817373 394003928 /nfs/dbraw/zinc/00/39/28/394003928.db2.gz VMUQQHFUYXRHAZ-INIZCTEOSA-N 2 0 297.402 2.810 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000353928783 394038313 /nfs/dbraw/zinc/03/83/13/394038313.db2.gz LONQDJLQLBEKFH-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000353928785 394038455 /nfs/dbraw/zinc/03/84/55/394038455.db2.gz LONQDJLQLBEKFH-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000353964102 394038541 /nfs/dbraw/zinc/03/85/41/394038541.db2.gz ZKLVIRIOCKMWPE-RYUDHWBXSA-N 2 0 276.346 2.935 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353969938 394039237 /nfs/dbraw/zinc/03/92/37/394039237.db2.gz AKGOGWLZHVPPKL-GMTAPVOTSA-N 2 0 264.335 2.647 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000490133386 394042903 /nfs/dbraw/zinc/04/29/03/394042903.db2.gz RAIYWIWREQRPAD-UHFFFAOYSA-N 2 0 282.378 2.781 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127879811 394058355 /nfs/dbraw/zinc/05/83/55/394058355.db2.gz FGUJMQMRLCJYCA-CYBMUJFWSA-N 2 0 264.388 2.861 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000419787846 394064053 /nfs/dbraw/zinc/06/40/53/394064053.db2.gz AAXBBPVDRDJZMG-OAHLLOKOSA-N 2 0 298.434 2.898 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000279830815 394069252 /nfs/dbraw/zinc/06/92/52/394069252.db2.gz YZBKIORUNXAPQH-VKJFTORMSA-N 2 0 288.435 2.837 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128417349 394069917 /nfs/dbraw/zinc/06/99/17/394069917.db2.gz QPNNJYOSEJLPPB-QZTJIDSGSA-N 2 0 295.515 2.963 20 0 CFADRP C[NH2+]C[C@@H](C)CNc1c(C)c(C)[nH+]c2ccccc21 ZINC000420201764 394093030 /nfs/dbraw/zinc/09/30/30/394093030.db2.gz NKACCWFLRSTXTB-LLVKDONJSA-N 2 0 257.381 2.541 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358209440 394097910 /nfs/dbraw/zinc/09/79/10/394097910.db2.gz XDKYIQZYCGVRKW-UHOFOFEASA-N 2 0 296.842 2.957 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000488348079 394037041 /nfs/dbraw/zinc/03/70/41/394037041.db2.gz AVBJOAUBFSKGGT-LHHMISFZSA-N 2 0 294.483 2.854 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCC(O)CC2)c1 ZINC000286001644 394177639 /nfs/dbraw/zinc/17/76/39/394177639.db2.gz IQZZDMRCXJXYKS-UHFFFAOYSA-N 2 0 290.451 2.920 20 0 CFADRP CC(C)c1cc(N2CC[NH2+]C[C@](C)(F)C2)nc(C(C)C)n1 ZINC000420269563 394111282 /nfs/dbraw/zinc/11/12/82/394111282.db2.gz UBSJYCHWNMEJHT-INIZCTEOSA-N 2 0 294.418 2.861 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1CCCc1ccsc1 ZINC000420275524 394112845 /nfs/dbraw/zinc/11/28/45/394112845.db2.gz QMIHRNVKSNPECA-OCCSQVGLSA-N 2 0 252.427 2.882 20 0 CFADRP [NH3+]C[C@H]1CCCCN1CCOc1ccc(Cl)c(F)c1 ZINC000420281402 394114665 /nfs/dbraw/zinc/11/46/65/394114665.db2.gz APDLVYDSZAQVES-LLVKDONJSA-N 2 0 286.778 2.671 20 0 CFADRP [NH3+][C@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000420279966 394114951 /nfs/dbraw/zinc/11/49/51/394114951.db2.gz XYZGXEVJWUTNBX-HZMBPMFUSA-N 2 0 250.773 2.750 20 0 CFADRP Cc1c[nH+]ccc1NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000358943603 394116148 /nfs/dbraw/zinc/11/61/48/394116148.db2.gz DDVFKCGLJIIQBW-GJZGRUSLSA-N 2 0 275.440 2.982 20 0 CFADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314070 394116684 /nfs/dbraw/zinc/11/66/84/394116684.db2.gz YPDYJJAAOYRUBU-VNQPRFMTSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000420328386 394117342 /nfs/dbraw/zinc/11/73/42/394117342.db2.gz MIZFMYLGDIHWGC-IKGGRYGDSA-N 2 0 294.483 2.890 20 0 CFADRP Clc1ccc2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420378003 394117885 /nfs/dbraw/zinc/11/78/85/394117885.db2.gz UALDOZJAESBHEJ-GFCCVEGCSA-N 2 0 264.800 2.698 20 0 CFADRP C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420382926 394118354 /nfs/dbraw/zinc/11/83/54/394118354.db2.gz ZDLSVZUPSLXJBE-KBXCAEBGSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420382928 394119594 /nfs/dbraw/zinc/11/95/94/394119594.db2.gz ZDLSVZUPSLXJBE-KSSFIOAISA-N 2 0 288.435 2.700 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395847 394119667 /nfs/dbraw/zinc/11/96/67/394119667.db2.gz DRVVDLBBOVUUTN-CJNGLKHVSA-N 2 0 276.424 2.599 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)[C@@H]1CCOC1 ZINC000131316980 394130387 /nfs/dbraw/zinc/13/03/87/394130387.db2.gz SETSSNSVAHPALO-XHSDSOJGSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1CC[C@@]2(CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000359566463 394138465 /nfs/dbraw/zinc/13/84/65/394138465.db2.gz VQVJCENFRLBHFS-OWCLPIDISA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000359658362 394139711 /nfs/dbraw/zinc/13/97/11/394139711.db2.gz CFQNEBPVDQUHQM-XOUADPBQSA-N 2 0 295.496 2.669 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881364 394140239 /nfs/dbraw/zinc/14/02/39/394140239.db2.gz ZGBKZABGRAWAJI-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccccc21 ZINC000443506605 394142728 /nfs/dbraw/zinc/14/27/28/394142728.db2.gz DIEMZKMRSQDUNG-QWHCGFSZSA-N 2 0 255.365 2.764 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000444604805 394144919 /nfs/dbraw/zinc/14/49/19/394144919.db2.gz BSAAEFCFPCCQEI-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000132017038 394145581 /nfs/dbraw/zinc/14/55/81/394145581.db2.gz XWORJUMJNCWHAW-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(C)C)CC2)CC1 ZINC000420984663 394146946 /nfs/dbraw/zinc/14/69/46/394146946.db2.gz UEUSZVLDINYFLB-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@@H]1CCC[NH2+]C1 ZINC000422958136 394259870 /nfs/dbraw/zinc/25/98/70/394259870.db2.gz ORUQRAGEPLGRMT-NORZTCDRSA-N 2 0 262.372 2.791 20 0 CFADRP COc1ccsc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421375920 394208609 /nfs/dbraw/zinc/20/86/09/394208609.db2.gz QRUBUGUJIVBXMI-UHFFFAOYSA-N 2 0 268.426 2.719 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccncc2F)C1 ZINC000449084258 394214132 /nfs/dbraw/zinc/21/41/32/394214132.db2.gz XIWORPFAROUGMM-AWEZNQCLSA-N 2 0 279.403 2.822 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000449121212 394220463 /nfs/dbraw/zinc/22/04/63/394220463.db2.gz GMMKFCJJJORURF-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449129041 394222224 /nfs/dbraw/zinc/22/22/24/394222224.db2.gz BCCDECOVVRVWNB-HOTGVXAUSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000449133487 394224515 /nfs/dbraw/zinc/22/45/15/394224515.db2.gz DKVYPXUHOCULGQ-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000449135828 394225461 /nfs/dbraw/zinc/22/54/61/394225461.db2.gz RQDXVOWZNVZYAG-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000449142921 394228108 /nfs/dbraw/zinc/22/81/08/394228108.db2.gz PAMZGDSIVHCEEK-UPJWGTAASA-N 2 0 258.475 2.694 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000449147632 394229448 /nfs/dbraw/zinc/22/94/48/394229448.db2.gz HMTZFIRYXOJUPX-IAGOWNOFSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCCC1 ZINC000449147631 394229832 /nfs/dbraw/zinc/22/98/32/394229832.db2.gz HMTZFIRYXOJUPX-DLBZAZTESA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000449149145 394229855 /nfs/dbraw/zinc/22/98/55/394229855.db2.gz MFOZCPKBQXLAMW-GJZGRUSLSA-N 2 0 270.461 2.638 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(COC)CC2)[C@@H](C)C1 ZINC000449168316 394238805 /nfs/dbraw/zinc/23/88/05/394238805.db2.gz LZNZKZMJFHPRKW-LBDPXKHJSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422921402 394258680 /nfs/dbraw/zinc/25/86/80/394258680.db2.gz OBYBJTCGLVTPSA-VYDXJSESSA-N 2 0 260.425 2.965 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000138406554 394242318 /nfs/dbraw/zinc/24/23/18/394242318.db2.gz UHKPDQSCVNSVKY-OAHLLOKOSA-N 2 0 286.423 2.513 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000449176726 394242679 /nfs/dbraw/zinc/24/26/79/394242679.db2.gz UFLMTWNTQBQTCW-BPLDGKMQSA-N 2 0 250.386 2.673 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367625449 394258954 /nfs/dbraw/zinc/25/89/54/394258954.db2.gz YDMUKJXFOHFAFA-ZBFHGGJFSA-N 2 0 290.455 2.745 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421862383 394247719 /nfs/dbraw/zinc/24/77/19/394247719.db2.gz WEQLJAAEBATFLY-NVXWUHKLSA-N 2 0 287.451 2.651 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000449191617 394247893 /nfs/dbraw/zinc/24/78/93/394247893.db2.gz PSHKBDBJNVTZQD-VNQPRFMTSA-N 2 0 282.472 2.779 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449195920 394248933 /nfs/dbraw/zinc/24/89/33/394248933.db2.gz WZKTUENMRDZXSG-OAGGEKHMSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422742727 394254336 /nfs/dbraw/zinc/25/43/36/394254336.db2.gz GZIYAJFQYDWHKC-NUJGCVRESA-N 2 0 287.451 2.633 20 0 CFADRP C1C[NH2+][C@H]([C@H]2COCC[C@H]2[NH2+][C@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000422787106 394255009 /nfs/dbraw/zinc/25/50/09/394255009.db2.gz LWJRXZPMSKLVQZ-LVZMMCSGSA-N 2 0 292.467 2.702 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000134145161 394189479 /nfs/dbraw/zinc/18/94/79/394189479.db2.gz YRFFISMJAXNTRU-UHFFFAOYSA-N 2 0 292.471 2.672 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422783135 394255186 /nfs/dbraw/zinc/25/51/86/394255186.db2.gz MSZNJGPIXGTLLE-OWCLPIDISA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000422768502 394255407 /nfs/dbraw/zinc/25/54/07/394255407.db2.gz NZMITWBPLWLWOS-CBBWQLFWSA-N 2 0 268.445 2.543 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000422992492 394260272 /nfs/dbraw/zinc/26/02/72/394260272.db2.gz CRSUKOSANBDKDK-IMJJTQAJSA-N 2 0 270.461 2.948 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000423077858 394265318 /nfs/dbraw/zinc/26/53/18/394265318.db2.gz NAEKCBARTOKKEA-KKUMJFAQSA-N 2 0 262.397 2.516 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)(C)O ZINC000423079609 394265354 /nfs/dbraw/zinc/26/53/54/394265354.db2.gz QZSGOMHHCYICIL-KFWWJZLASA-N 2 0 270.461 2.682 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](C)C)c1cccc(OC)c1 ZINC000151916473 394265471 /nfs/dbraw/zinc/26/54/71/394265471.db2.gz JZEVWYKYCGXRIG-HNNXBMFYSA-N 2 0 250.386 2.688 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000423082375 394266069 /nfs/dbraw/zinc/26/60/69/394266069.db2.gz FAFVPGJWYQOQPM-JGVFFNPUSA-N 2 0 281.347 2.940 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423082556 394266105 /nfs/dbraw/zinc/26/61/05/394266105.db2.gz DJVBPRXMNNPKGS-XZDPQHSOSA-N 2 0 262.372 2.931 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423083161 394266619 /nfs/dbraw/zinc/26/66/19/394266619.db2.gz FKDWMMFOPPDAKP-JYJNAYRXSA-N 2 0 275.440 2.618 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H](C)CCC[NH3+])c1C ZINC000423083740 394267825 /nfs/dbraw/zinc/26/78/25/394267825.db2.gz GRRXWSGEBVLLIS-CQSZACIVSA-N 2 0 264.413 2.789 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423089304 394268495 /nfs/dbraw/zinc/26/84/95/394268495.db2.gz SAJVZHUUBNUCMN-HYVNUMGLSA-N 2 0 276.424 2.742 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2c(F)cc(F)c(F)c2F)CC1 ZINC000423088747 394268735 /nfs/dbraw/zinc/26/87/35/394268735.db2.gz SOUIUNLSXANCGK-UHFFFAOYSA-N 2 0 290.304 2.850 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091227 394269737 /nfs/dbraw/zinc/26/97/37/394269737.db2.gz ZLGPIYJHKXAXJD-LSDHHAIUSA-N 2 0 275.440 2.618 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423092682 394269750 /nfs/dbraw/zinc/26/97/50/394269750.db2.gz DAGHPPKBOYHTNA-UWVGGRQHSA-N 2 0 286.217 2.622 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000423092622 394269756 /nfs/dbraw/zinc/26/97/56/394269756.db2.gz CSIVWSPSABLFJI-CJNGLKHVSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093434 394270274 /nfs/dbraw/zinc/27/02/74/394270274.db2.gz HLIDEOJXYVFKNL-WBVHZDCISA-N 3 0 281.488 2.891 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000423140645 394271229 /nfs/dbraw/zinc/27/12/29/394271229.db2.gz YYFKHFZHRCMUOE-MNOVXSKESA-N 2 0 270.804 2.607 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])C2 ZINC000423142757 394271243 /nfs/dbraw/zinc/27/12/43/394271243.db2.gz VUEMBPSZFMRTRA-BZUAXINKSA-N 2 0 274.408 2.548 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423165626 394271908 /nfs/dbraw/zinc/27/19/08/394271908.db2.gz BHPRQTVDWNGCAU-XMTFNYHQSA-N 3 0 293.499 2.619 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423221908 394274073 /nfs/dbraw/zinc/27/40/73/394274073.db2.gz YRDGLTVKEJYKMU-HEHGZKQESA-N 2 0 289.423 2.684 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)[C@H]1CCCC[C@H]1C ZINC000449387882 394274589 /nfs/dbraw/zinc/27/45/89/394274589.db2.gz NHTZOCOGLSLRRH-QZWWFDLISA-N 2 0 282.472 2.638 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256430 394274873 /nfs/dbraw/zinc/27/48/73/394274873.db2.gz BXWWWOSQYOXCRU-UXLLHSPISA-N 2 0 276.424 2.742 20 0 CFADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254443 394275040 /nfs/dbraw/zinc/27/50/40/394275040.db2.gz YBTWPRJSHJTYHE-IAQYHMDHSA-N 2 0 264.800 2.917 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000449401201 394275987 /nfs/dbraw/zinc/27/59/87/394275987.db2.gz FUSKUVROHJWHMF-ZFWWWQNUSA-N 2 0 270.461 2.900 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423347596 394278238 /nfs/dbraw/zinc/27/82/38/394278238.db2.gz QSMAANCQOPOCAC-INIZCTEOSA-N 2 0 260.356 2.712 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423382931 394280004 /nfs/dbraw/zinc/28/00/04/394280004.db2.gz KAZNTDROCUYLQI-YUTCNCBUSA-N 2 0 279.403 2.812 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)C2CCCCCC2)CCC[NH2+]1 ZINC000423412612 394280626 /nfs/dbraw/zinc/28/06/26/394280626.db2.gz IDDIOYABGOBTDW-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP c1csc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCC2)c1 ZINC000423424159 394281321 /nfs/dbraw/zinc/28/13/21/394281321.db2.gz FKBKOZKWXCVWCE-OSRDXIQISA-N 2 0 262.422 2.787 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000423433222 394281373 /nfs/dbraw/zinc/28/13/73/394281373.db2.gz WRSAEXGBSIFGTK-VGWMRTNUSA-N 2 0 280.456 2.689 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423453841 394282317 /nfs/dbraw/zinc/28/23/17/394282317.db2.gz KYYASOQUPIFVND-DJIMGWMZSA-N 2 0 275.440 2.539 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000423462558 394282809 /nfs/dbraw/zinc/28/28/09/394282809.db2.gz KSCWMTFGBMZPMA-HIFRSBDPSA-N 2 0 250.386 2.719 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000423488428 394283571 /nfs/dbraw/zinc/28/35/71/394283571.db2.gz DOHNOVIFDLKIQU-MDZLAQPJSA-N 2 0 250.411 2.843 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293640077 394284545 /nfs/dbraw/zinc/28/45/45/394284545.db2.gz KSEQKSXOWYZPLN-DZKIICNBSA-N 2 0 264.413 2.550 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423509225 394285405 /nfs/dbraw/zinc/28/54/05/394285405.db2.gz OIHZDFWKBOBTPH-UJEKJILKSA-N 2 0 280.456 2.974 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1(C)C ZINC000423509214 394285434 /nfs/dbraw/zinc/28/54/34/394285434.db2.gz OGTFMNYCTOMQFP-LJISPDSOSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423509222 394285489 /nfs/dbraw/zinc/28/54/89/394285489.db2.gz OIHZDFWKBOBTPH-BOLLXYOYSA-N 2 0 280.456 2.974 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000423506786 394285629 /nfs/dbraw/zinc/28/56/29/394285629.db2.gz MICAOOAVZGZSPT-FZKCQIBNSA-N 2 0 296.455 2.606 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cnn(C)c1 ZINC000423512487 394286549 /nfs/dbraw/zinc/28/65/49/394286549.db2.gz USLZQDZLCFHISA-CJNGLKHVSA-N 2 0 272.396 2.551 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cn1 ZINC000423520906 394289270 /nfs/dbraw/zinc/28/92/70/394289270.db2.gz WQALMXHOSLGVMV-NHCYSSNCSA-N 2 0 253.777 2.513 20 0 CFADRP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423533800 394292121 /nfs/dbraw/zinc/29/21/21/394292121.db2.gz YRBRJHFUSUDUSO-MAUKXSAKSA-N 2 0 288.435 2.886 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000153803731 394292229 /nfs/dbraw/zinc/29/22/29/394292229.db2.gz DIOZZTOSVRUIHV-SUMWQHHRSA-N 2 0 294.414 2.617 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000153792496 394292630 /nfs/dbraw/zinc/29/26/30/394292630.db2.gz VFBSCMDTDVFYRY-OAHLLOKOSA-N 2 0 264.413 2.614 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423535604 394292979 /nfs/dbraw/zinc/29/29/79/394292979.db2.gz DNYYRFFWUHGXLC-QFBILLFUSA-N 2 0 299.462 2.549 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000423535279 394293161 /nfs/dbraw/zinc/29/31/61/394293161.db2.gz CMZZFJQKHZRNAJ-ZDUSSCGKSA-N 2 0 284.407 2.534 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536095 394293235 /nfs/dbraw/zinc/29/32/35/394293235.db2.gz GMYQCEUWLIHZTK-HNNXBMFYSA-N 2 0 273.424 2.692 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423541943 394294983 /nfs/dbraw/zinc/29/49/83/394294983.db2.gz AIEVWPHAWNQGST-HUUCEWRRSA-N 2 0 268.445 2.702 20 0 CFADRP COC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423546609 394295840 /nfs/dbraw/zinc/29/58/40/394295840.db2.gz ZDXZEEDQSLINRJ-INIZCTEOSA-N 2 0 296.361 2.552 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423550376 394296287 /nfs/dbraw/zinc/29/62/87/394296287.db2.gz IHBFCSGMMJIORC-IIAWOOMASA-N 2 0 276.424 2.919 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1 ZINC000423562585 394298246 /nfs/dbraw/zinc/29/82/46/394298246.db2.gz QTHOXAKITIRXNE-CYBMUJFWSA-N 2 0 262.397 2.796 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(CC)CC ZINC000423571343 394298912 /nfs/dbraw/zinc/29/89/12/394298912.db2.gz XJASEBVYQPKBNF-GJZGRUSLSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000423701040 394310887 /nfs/dbraw/zinc/31/08/87/394310887.db2.gz USRGGXLIHYCOOQ-INIZCTEOSA-N 2 0 287.407 2.526 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000155825724 394323777 /nfs/dbraw/zinc/32/37/77/394323777.db2.gz XJWLSNFDPJPSSN-IXDOHACOSA-N 2 0 283.504 2.814 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cs1 ZINC000157091503 394342085 /nfs/dbraw/zinc/34/20/85/394342085.db2.gz BHLJLGKCJLVIIJ-OUCADQQQSA-N 2 0 281.469 2.566 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000157428215 394345154 /nfs/dbraw/zinc/34/51/54/394345154.db2.gz XFAJDZDEPYTOCE-VYDXJSESSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2sc(C)nc2C)[C@H](C)C1 ZINC000157926052 394351846 /nfs/dbraw/zinc/35/18/46/394351846.db2.gz CIKDFGIKDRABDA-RISCZKNCSA-N 2 0 281.469 2.622 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000158731073 394360414 /nfs/dbraw/zinc/36/04/14/394360414.db2.gz JHGMXCJJEJITET-UHFFFAOYSA-N 2 0 275.440 2.669 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc2[nH]cnc2c1)C1CC1 ZINC000517690094 394370868 /nfs/dbraw/zinc/37/08/68/394370868.db2.gz RWYOMYNCJJTOJH-UHFFFAOYSA-N 2 0 272.396 2.527 20 0 CFADRP C[N@H+](Cc1cccc(O)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000519645048 394373183 /nfs/dbraw/zinc/37/31/83/394373183.db2.gz STXWHLDDIWUCQT-UHFFFAOYSA-N 2 0 282.387 2.670 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000521859092 394381532 /nfs/dbraw/zinc/38/15/32/394381532.db2.gz ZNACVFXYXNXCFL-LLVKDONJSA-N 2 0 279.453 2.672 20 0 CFADRP COCCC[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000178106290 394386224 /nfs/dbraw/zinc/38/62/24/394386224.db2.gz BTRHQRLVUQIBMU-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC000453342851 394388139 /nfs/dbraw/zinc/38/81/39/394388139.db2.gz HZMUEUBSIFTGFE-WTXIUTQJSA-N 2 0 259.397 2.748 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393771 394395695 /nfs/dbraw/zinc/39/56/95/394395695.db2.gz GHKGOURISMWGBT-CQSZACIVSA-N 2 0 261.413 2.915 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527649712 394395863 /nfs/dbraw/zinc/39/58/63/394395863.db2.gz QSIYZALBCZTUKO-SDADXPQNSA-N 2 0 250.430 2.741 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527649718 394395887 /nfs/dbraw/zinc/39/58/87/394395887.db2.gz QSIYZALBCZTUKO-XRGAULLZSA-N 2 0 250.430 2.741 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453403859 394398065 /nfs/dbraw/zinc/39/80/65/394398065.db2.gz OZKFOIZIAAKFIL-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCSCC1 ZINC000453410018 394399365 /nfs/dbraw/zinc/39/93/65/394399365.db2.gz UOVPXUBKQKRCBF-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC(C)(C)CC)[C@@H](C)C1 ZINC000453414183 394400147 /nfs/dbraw/zinc/40/01/47/394400147.db2.gz STIRMMVAEQKWRG-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000685454805 542916091 /nfs/dbraw/zinc/91/60/91/542916091.db2.gz VIYHJEDXOQEFBU-HNNXBMFYSA-N 2 0 283.504 2.626 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000685455683 542916705 /nfs/dbraw/zinc/91/67/05/542916705.db2.gz KDSAQNJLOCEGKV-CABCVRRESA-N 2 0 297.446 2.955 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529596382 394413257 /nfs/dbraw/zinc/41/32/57/394413257.db2.gz BTGBVRQWJHETBC-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CC(F)(F)C1 ZINC000529611482 394415917 /nfs/dbraw/zinc/41/59/17/394415917.db2.gz MNKRBWROYHDJDI-PKSQDBQZSA-N 2 0 260.372 2.883 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC12CC2 ZINC000527848645 394416840 /nfs/dbraw/zinc/41/68/40/394416840.db2.gz RXRXCNRYWULTRD-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP C1=CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000529641304 394417766 /nfs/dbraw/zinc/41/77/66/394417766.db2.gz PFBDAKDFIPOIHU-UHFFFAOYSA-N 2 0 257.381 2.606 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000529670600 394419373 /nfs/dbraw/zinc/41/93/73/394419373.db2.gz VDGZJXOGIQYOJV-YOEHRIQHSA-N 2 0 288.435 2.930 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)OCC ZINC000527926670 394427171 /nfs/dbraw/zinc/42/71/71/394427171.db2.gz BJNVULPICWQCOL-QXSJWSMHSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528001909 394437297 /nfs/dbraw/zinc/43/72/97/394437297.db2.gz OCFDZMMLLMOQGD-BBRMVZONSA-N 2 0 262.397 2.817 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCCC1(C)C ZINC000530212139 394481765 /nfs/dbraw/zinc/48/17/65/394481765.db2.gz QYUFEIAKXGDGNT-ZQDZILKHSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CCc2ccccc2CC1 ZINC000530213725 394482560 /nfs/dbraw/zinc/48/25/60/394482560.db2.gz VRDXJECSCHJMLM-KGLIPLIRSA-N 2 0 260.425 2.897 20 0 CFADRP C1=CCC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000530213582 394483135 /nfs/dbraw/zinc/48/31/35/394483135.db2.gz ANZIEPVXBYUEBZ-AEFFLSMTSA-N 2 0 284.403 2.798 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000530224783 394490070 /nfs/dbraw/zinc/49/00/70/394490070.db2.gz YMSKKNUWPOXRRK-ZIAGYGMSSA-N 2 0 293.842 2.947 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000530231690 394492955 /nfs/dbraw/zinc/49/29/55/394492955.db2.gz SRKDVHVVAPUQJN-INIZCTEOSA-N 2 0 276.424 2.730 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000530244708 394495048 /nfs/dbraw/zinc/49/50/48/394495048.db2.gz MXWQPCNTYAFBEH-IHRRRGAJSA-N 2 0 292.423 2.743 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2(C)CCC(F)(F)CC2)CC[NH2+]1 ZINC000530244763 394495066 /nfs/dbraw/zinc/49/50/66/394495066.db2.gz NHFGSPXTYABDAW-RYUDHWBXSA-N 2 0 260.372 2.932 20 0 CFADRP C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000530242433 394495143 /nfs/dbraw/zinc/49/51/43/394495143.db2.gz SGUYHVKIKLEFHR-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1cccs1 ZINC000536836852 394572695 /nfs/dbraw/zinc/57/26/95/394572695.db2.gz CDQZBQSRWHXUCN-VNHYZAJKSA-N 2 0 266.454 2.999 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000536873188 394574193 /nfs/dbraw/zinc/57/41/93/394574193.db2.gz XLUSRJOASKFTCM-ABAIWWIYSA-N 2 0 284.806 2.951 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000537939730 394594851 /nfs/dbraw/zinc/59/48/51/394594851.db2.gz BYDRDIQTWHISQA-BIIBTNFESA-N 2 0 276.468 2.989 20 0 CFADRP Cc1cccc(OCC[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000536067810 394551602 /nfs/dbraw/zinc/55/16/02/394551602.db2.gz BHDLYRCMZNWHIM-OAHLLOKOSA-N 2 0 285.391 2.597 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCc2cccs2)CC[N@@H+]1C ZINC000537952657 394596106 /nfs/dbraw/zinc/59/61/06/394596106.db2.gz NVOARGKZHFULOK-OLZOCXBDSA-N 2 0 252.427 2.753 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000538850358 394617033 /nfs/dbraw/zinc/61/70/33/394617033.db2.gz CCKZAUNYHNLFQX-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000539074117 394621908 /nfs/dbraw/zinc/62/19/08/394621908.db2.gz UVSJXHVGDSBFPV-KSSFIOAISA-N 2 0 272.436 2.721 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C2 ZINC000685665869 542941344 /nfs/dbraw/zinc/94/13/44/542941344.db2.gz YGAMYXHLSAXCHZ-YOEHRIQHSA-N 2 0 288.435 2.618 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCn2ccnc2C1 ZINC000548317551 394922845 /nfs/dbraw/zinc/92/28/45/394922845.db2.gz HBZHISUERZBFOO-ZFWWWQNUSA-N 2 0 285.391 2.514 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC000554696739 394956182 /nfs/dbraw/zinc/95/61/82/394956182.db2.gz AAKBWKMEMKPBQT-BLLLJJGKSA-N 2 0 282.378 2.827 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000556099444 394990014 /nfs/dbraw/zinc/99/00/14/394990014.db2.gz NGGQGJWKEZNRLO-QGZVFWFLSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)[C@@H]2CCC[C@H]21 ZINC000556867844 395022181 /nfs/dbraw/zinc/02/21/81/395022181.db2.gz JLMAOFHNLYNSHK-BHYGNILZSA-N 2 0 262.441 2.885 20 0 CFADRP CC[C@H]1CCC[C@H](CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)C1 ZINC000556925749 395024909 /nfs/dbraw/zinc/02/49/09/395024909.db2.gz APXRXRMPXIRWMF-XLAORIBOSA-N 2 0 294.483 2.998 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000555528179 394975923 /nfs/dbraw/zinc/97/59/23/394975923.db2.gz OOUZMNVEQSQUCX-UHFFFAOYSA-N 2 0 288.435 2.533 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000558397085 395058301 /nfs/dbraw/zinc/05/83/01/395058301.db2.gz LTJYYEPNWQLGJM-INIZCTEOSA-N 2 0 269.392 2.972 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)C(C)(C)C)CC1 ZINC000558607963 395066677 /nfs/dbraw/zinc/06/66/77/395066677.db2.gz SXLJKLVZFKNXAQ-MRXNPFEDSA-N 2 0 283.504 2.769 20 0 CFADRP c1cc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000571009509 395086530 /nfs/dbraw/zinc/08/65/30/395086530.db2.gz VNQNCYLRRCJXAS-QGZVFWFLSA-N 2 0 273.424 2.747 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)CCO1 ZINC000648415469 395133724 /nfs/dbraw/zinc/13/37/24/395133724.db2.gz DXRJILRAYYKOOP-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000648455346 395151230 /nfs/dbraw/zinc/15/12/30/395151230.db2.gz MRWLHPSPORCWEJ-HOTGVXAUSA-N 2 0 294.414 2.935 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647309476 395284541 /nfs/dbraw/zinc/28/45/41/395284541.db2.gz WGBMAVTYASEKEC-WLYUNCDWSA-N 2 0 290.455 2.743 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc2ccccn12 ZINC000648752654 395297746 /nfs/dbraw/zinc/29/77/46/395297746.db2.gz AOAYQXLNFXZPJE-UHFFFAOYSA-N 2 0 274.412 2.544 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(F)CC2)[C@H](C)C1 ZINC000647349152 395308929 /nfs/dbraw/zinc/30/89/29/395308929.db2.gz AXJYGQWJSREMPG-XSCHDIRWSA-N 2 0 256.409 2.835 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000647249185 395255418 /nfs/dbraw/zinc/25/54/18/395255418.db2.gz HULUYLZCZTZDHW-ILMPWQCYSA-N 2 0 272.436 2.966 20 0 CFADRP FC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000647252804 395258757 /nfs/dbraw/zinc/25/87/57/395258757.db2.gz WFMAIHARTCPGLG-PFSRBDOWSA-N 2 0 254.393 2.731 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647256769 395260930 /nfs/dbraw/zinc/26/09/30/395260930.db2.gz HJKGALXJUAZRQP-IIAWOOMASA-N 2 0 282.391 2.854 20 0 CFADRP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1C ZINC000647482436 395355131 /nfs/dbraw/zinc/35/51/31/395355131.db2.gz FQHKRXXTHKVSII-UHFFFAOYSA-N 2 0 274.408 2.720 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647485336 395357060 /nfs/dbraw/zinc/35/70/60/395357060.db2.gz PXHYLNUQSIJJET-OAHLLOKOSA-N 2 0 260.425 2.896 20 0 CFADRP c1cn(-c2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2)cn1 ZINC000647483106 395357374 /nfs/dbraw/zinc/35/73/74/395357374.db2.gz ZNQDTKDCDDODRP-UHFFFAOYSA-N 2 0 296.418 2.589 20 0 CFADRP COc1ccc(C[N@H+](C)CCC[NH3+])cc1OCC(C)C ZINC000647497533 395360507 /nfs/dbraw/zinc/36/05/07/395360507.db2.gz KQAUOJVBAXHCRS-UHFFFAOYSA-N 2 0 280.412 2.511 20 0 CFADRP CC[C@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@H]1[NH3+] ZINC000647498823 395363450 /nfs/dbraw/zinc/36/34/50/395363450.db2.gz RKAPPSMKXOHUPO-XJKSGUPXSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(C)c(OC)c(C)c2)CC[C@@H]1[NH3+] ZINC000647499021 395363947 /nfs/dbraw/zinc/36/39/47/395363947.db2.gz XAALRGXCCOZUNX-HOTGVXAUSA-N 2 0 276.424 2.871 20 0 CFADRP c1ccc([C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000647516345 395370360 /nfs/dbraw/zinc/37/03/60/395370360.db2.gz HGARRZHYLPNNDZ-GDBMZVCRSA-N 2 0 276.449 2.776 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543001 395384647 /nfs/dbraw/zinc/38/46/47/395384647.db2.gz GKOFCPXWKNNQSA-CABCVRRESA-N 2 0 293.480 2.972 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1F ZINC000647542065 395384920 /nfs/dbraw/zinc/38/49/20/395384920.db2.gz OFFCCTKUQYERAF-CQSZACIVSA-N 2 0 292.398 2.656 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543647 395385905 /nfs/dbraw/zinc/38/59/05/395385905.db2.gz QVKBSKLCKULCGY-IRXDYDNUSA-N 2 0 288.435 2.907 20 0 CFADRP C(C1CCCC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543650 395386006 /nfs/dbraw/zinc/38/60/06/395386006.db2.gz QVLWSYOCCSTRQV-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647548504 395387419 /nfs/dbraw/zinc/38/74/19/395387419.db2.gz FCULTOOQPUTMPF-GZBFAFLISA-N 2 0 296.817 2.999 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000647548602 395387424 /nfs/dbraw/zinc/38/74/24/395387424.db2.gz KGKMWYUBWWMMTN-QLFBSQMISA-N 2 0 292.398 2.702 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000647553851 395393237 /nfs/dbraw/zinc/39/32/37/395393237.db2.gz KYIPXXVVGCJEPS-MRXNPFEDSA-N 2 0 273.424 2.587 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000648851214 395338520 /nfs/dbraw/zinc/33/85/20/395338520.db2.gz XYAPHCXYRGZMSW-HNNXBMFYSA-N 2 0 283.504 2.674 20 0 CFADRP Clc1ccccc1OC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988525 395473375 /nfs/dbraw/zinc/47/33/75/395473375.db2.gz WVAZPIOAFNMTET-CYBMUJFWSA-N 2 0 294.826 2.793 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000647874695 395449033 /nfs/dbraw/zinc/44/90/33/395449033.db2.gz NKPCBWJIVIULEF-GDBMZVCRSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000647988380 395473469 /nfs/dbraw/zinc/47/34/69/395473469.db2.gz BPMCYRJCVZZEMP-LSDHHAIUSA-N 2 0 298.434 2.660 20 0 CFADRP Fc1cccc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1F ZINC000647995176 395475010 /nfs/dbraw/zinc/47/50/10/395475010.db2.gz CDWCKUDDUHSPJE-GFCCVEGCSA-N 2 0 280.362 2.754 20 0 CFADRP Fc1cccc(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647880909 395450756 /nfs/dbraw/zinc/45/07/56/395450756.db2.gz AXCINBDBDNKALQ-MRXNPFEDSA-N 2 0 276.399 2.690 20 0 CFADRP C[C@H](C[N@H+](C)CCCC1CC[NH2+]CC1)c1nccs1 ZINC000647989194 395473538 /nfs/dbraw/zinc/47/35/38/395473538.db2.gz WEWFEXWEKMMLPY-CYBMUJFWSA-N 2 0 281.469 2.958 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647889351 395453317 /nfs/dbraw/zinc/45/33/17/395453317.db2.gz JKUBBDMFHOMJSB-DJIMGWMZSA-N 2 0 258.409 2.549 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)C1(C)C ZINC000647886756 395453685 /nfs/dbraw/zinc/45/36/85/395453685.db2.gz QDAHLWVSLTYIIV-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890808 395453998 /nfs/dbraw/zinc/45/39/98/395453998.db2.gz XQGGEHUJKRWUKL-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP c1ccc(SC[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647890069 395454122 /nfs/dbraw/zinc/45/41/22/395454122.db2.gz LSNNPXXVXRLPKY-HUUCEWRRSA-N 2 0 276.449 2.710 20 0 CFADRP Cc1cnc(CC[N@H+](C)CCCC2CC[NH2+]CC2)s1 ZINC000647989595 395473718 /nfs/dbraw/zinc/47/37/18/395473718.db2.gz JXOIAKNXOBZASX-UHFFFAOYSA-N 2 0 281.469 2.706 20 0 CFADRP Cc1cccc(C2([NH2+]C[C@H]3CC[NH2+]C3)CCCC2)c1 ZINC000647892290 395454681 /nfs/dbraw/zinc/45/46/81/395454681.db2.gz OHINXLBOTZSLSF-HNNXBMFYSA-N 2 0 258.409 2.963 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)N1CCC(C)([NH3+])CC1 ZINC000647924763 395458831 /nfs/dbraw/zinc/45/88/31/395458831.db2.gz IJPYWJRGZDIAIV-JTQLQIEISA-N 2 0 254.324 2.839 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccsc2)CC[C@H]1[NH3+] ZINC000647934472 395460635 /nfs/dbraw/zinc/46/06/35/395460635.db2.gz GPUJWGMIAYGAMQ-UONOGXRCSA-N 2 0 252.427 2.740 20 0 CFADRP CC[C@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@H]1[NH3+] ZINC000647937242 395461500 /nfs/dbraw/zinc/46/15/00/395461500.db2.gz UAALTHRECGQRMO-ZWKOTPCHSA-N 2 0 290.451 2.695 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647937441 395462627 /nfs/dbraw/zinc/46/26/27/395462627.db2.gz ZFXYJEYCEAZFOV-IAGOWNOFSA-N 2 0 260.425 2.851 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000647992075 395474277 /nfs/dbraw/zinc/47/42/77/395474277.db2.gz BEDURASABOXDIO-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP FC(F)(F)[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)CC12CCC2 ZINC000647991617 395474454 /nfs/dbraw/zinc/47/44/54/395474454.db2.gz SWOHWFFBHUMSJO-NWDGAFQWSA-N 2 0 276.346 2.650 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c21 ZINC000647785969 395427773 /nfs/dbraw/zinc/42/77/73/395427773.db2.gz GYEUMHPCDSSSQV-HYVNUMGLSA-N 2 0 297.446 2.997 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647785973 395427927 /nfs/dbraw/zinc/42/79/27/395427927.db2.gz GZAYBDLSTPMWCU-IXDOHACOSA-N 2 0 288.435 2.606 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788106 395428708 /nfs/dbraw/zinc/42/87/08/395428708.db2.gz CKDUORKORXZXSK-LTIDMASMSA-N 2 0 288.435 2.740 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788769 395428904 /nfs/dbraw/zinc/42/89/04/395428904.db2.gz QEYPGLREKONXFY-YESZJQIVSA-N 2 0 288.435 2.742 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC000647787969 395428908 /nfs/dbraw/zinc/42/89/08/395428908.db2.gz BHKKZWPLGHGUBB-HYVNUMGLSA-N 2 0 297.446 2.997 20 0 CFADRP c1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)noc1-c1ccccc1 ZINC000647789350 395429470 /nfs/dbraw/zinc/42/94/70/395429470.db2.gz BHVVVDNXLHLHMV-ARFHVFGLSA-N 2 0 297.402 2.819 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CO2 ZINC000647791485 395429957 /nfs/dbraw/zinc/42/99/57/395429957.db2.gz FJENKGOHAKFITC-HTTKSJEASA-N 2 0 292.810 2.751 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CO2 ZINC000647791487 395429973 /nfs/dbraw/zinc/42/99/73/395429973.db2.gz FJENKGOHAKFITC-NLRBGTRBSA-N 2 0 292.810 2.751 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793454 395430353 /nfs/dbraw/zinc/43/03/53/395430353.db2.gz YNCTVLUNXHPYQJ-GVDBMIGSSA-N 2 0 288.435 2.606 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C)o1 ZINC000647793862 395431066 /nfs/dbraw/zinc/43/10/66/395431066.db2.gz KDDIPHJJTRSFJV-JONQDZQNSA-N 2 0 292.423 2.643 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793957 395431402 /nfs/dbraw/zinc/43/14/02/395431402.db2.gz MZQZVCDXJKRVDZ-CUQMJCILSA-N 2 0 280.456 2.559 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C)o1 ZINC000647793860 395431488 /nfs/dbraw/zinc/43/14/88/395431488.db2.gz KDDIPHJJTRSFJV-FPCVCCKLSA-N 2 0 292.423 2.643 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000647796585 395431949 /nfs/dbraw/zinc/43/19/49/395431949.db2.gz FVCYXASUQCWQIM-ARFHVFGLSA-N 2 0 283.419 2.688 20 0 CFADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795298 395431997 /nfs/dbraw/zinc/43/19/97/395431997.db2.gz MYXBUNPSDDNAOC-VLXAULBPSA-N 2 0 290.382 2.627 20 0 CFADRP FC1(F)CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647797009 395432805 /nfs/dbraw/zinc/43/28/05/395432805.db2.gz UOXYTGIDWRYGHZ-MELADBBJSA-N 2 0 272.383 2.790 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1(C2CCC2)CCC1 ZINC000647799431 395433486 /nfs/dbraw/zinc/43/34/86/395433486.db2.gz GKKOPZWKNFJJQX-SQWLQELKSA-N 2 0 262.441 2.935 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000647799907 395433512 /nfs/dbraw/zinc/43/35/12/395433512.db2.gz TUEGUGLWQBDMBT-KONPQCLYSA-N 2 0 299.462 2.935 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647799287 395434006 /nfs/dbraw/zinc/43/40/06/395434006.db2.gz CPRBHVODNNSJQU-JSRQGNBESA-N 2 0 262.441 2.933 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CC(F)F ZINC000647801208 395434791 /nfs/dbraw/zinc/43/47/91/395434791.db2.gz QYJHGFIQZGWJRY-SGMGOOAPSA-N 2 0 270.367 2.826 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccccc2F)CCC1 ZINC000647802433 395435828 /nfs/dbraw/zinc/43/58/28/395435828.db2.gz LJXJFOTXQQXHBV-RYUDHWBXSA-N 2 0 250.361 2.920 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000647995289 395475158 /nfs/dbraw/zinc/47/51/58/395475158.db2.gz MLLYUMPKCKZOCO-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccnn2CC(C)C)C1 ZINC000648011304 395479429 /nfs/dbraw/zinc/47/94/29/395479429.db2.gz MOKXQFIBYWXQSO-MRXNPFEDSA-N 2 0 292.471 2.703 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2CC(C)C)[C@H](C)C1 ZINC000648010117 395479677 /nfs/dbraw/zinc/47/96/77/395479677.db2.gz LIOXRXWDDWTQTE-NVXWUHKLSA-N 2 0 292.471 2.701 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccnn2CC(C)C)C1 ZINC000648011303 395479826 /nfs/dbraw/zinc/47/98/26/395479826.db2.gz MOKXQFIBYWXQSO-INIZCTEOSA-N 2 0 292.471 2.703 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068432 395495853 /nfs/dbraw/zinc/49/58/53/395495853.db2.gz YEUBHNGELYXMPC-XBVQOTNRSA-N 2 0 258.409 2.577 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072199 395497203 /nfs/dbraw/zinc/49/72/03/395497203.db2.gz QXTLFSFTDIRKKR-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCCC(C)(C)C1)CCO2 ZINC000648071820 395497251 /nfs/dbraw/zinc/49/72/51/395497251.db2.gz VYTGLOQRIIXZOR-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072008 395497258 /nfs/dbraw/zinc/49/72/58/395497258.db2.gz GRJMVXUKHQOTLZ-RDJZCZTQSA-N 2 0 292.467 2.775 20 0 CFADRP CC(C)C(C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C(C)C ZINC000648072068 395497326 /nfs/dbraw/zinc/49/73/26/395497326.db2.gz KCNOSPJGKLURQQ-UHFFFAOYSA-N 2 0 282.472 2.711 20 0 CFADRP CC[C@H]1CCC[C@@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072198 395497430 /nfs/dbraw/zinc/49/74/30/395497430.db2.gz QXTLFSFTDIRKKR-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000037209430 543027824 /nfs/dbraw/zinc/02/78/24/543027824.db2.gz ZZBLUZIUHTXYPH-ZDUSSCGKSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000037240443 543028102 /nfs/dbraw/zinc/02/81/02/543028102.db2.gz CNQUWGPQNQMNDJ-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CCO)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000649870523 395583643 /nfs/dbraw/zinc/58/36/43/395583643.db2.gz BZGKXGJUKJWRBZ-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP FC1(F)C[C@]12CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000649908152 395589697 /nfs/dbraw/zinc/58/96/97/395589697.db2.gz IGDYZKNLQOSUTJ-ZDUSSCGKSA-N 2 0 258.356 2.594 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000037565254 543030258 /nfs/dbraw/zinc/03/02/58/543030258.db2.gz YJWTYIMNMVYHCO-HNNXBMFYSA-N 2 0 258.409 2.789 20 0 CFADRP CC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309963408 413082069 /nfs/dbraw/zinc/08/20/69/413082069.db2.gz JOLCFJRUEBBTMK-ZWKOTPCHSA-N 2 0 290.451 2.649 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336786113 292077663 /nfs/dbraw/zinc/07/76/63/292077663.db2.gz HAPNXTMBQFUBJD-KGLIPLIRSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262095388 292090733 /nfs/dbraw/zinc/09/07/33/292090733.db2.gz VBNMCVXXXHKXSJ-QGZVFWFLSA-N 2 0 273.424 2.569 20 0 CFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449124404 296544919 /nfs/dbraw/zinc/54/49/19/296544919.db2.gz QBIGUOYZYLWXAN-QGZVFWFLSA-N 2 0 294.483 2.783 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401023208 413160415 /nfs/dbraw/zinc/16/04/15/413160415.db2.gz LZCOSBSWJBLKFR-SVXVCFNTSA-N 2 0 250.430 2.790 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401019737 413160445 /nfs/dbraw/zinc/16/04/45/413160445.db2.gz WUHIDMMADMBDIG-FRRDWIJNSA-N 2 0 294.826 2.826 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000401037726 413159122 /nfs/dbraw/zinc/15/91/22/413159122.db2.gz NQUSJIWKGMGQAT-SDPYYESWSA-N 2 0 262.441 2.790 20 0 CFADRP Clc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401019596 413159623 /nfs/dbraw/zinc/15/96/23/413159623.db2.gz WPBJQDBLJYKAIQ-IACUBPJLSA-N 2 0 264.800 2.818 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000401150140 413164400 /nfs/dbraw/zinc/16/44/00/413164400.db2.gz PFOLQBMCOGYEDI-IRCOFANPSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1(C)CC1 ZINC000162872061 397605158 /nfs/dbraw/zinc/60/51/58/397605158.db2.gz MBMKIAQCCUMGKW-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000650756729 397884745 /nfs/dbraw/zinc/88/47/45/397884745.db2.gz IMLYZKKUGXMMNT-WQVCFCJDSA-N 2 0 276.424 2.555 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C1(C)C ZINC000650757993 397885329 /nfs/dbraw/zinc/88/53/29/397885329.db2.gz GKBBHKKCOYPWJI-HZPDHXFCSA-N 2 0 276.424 2.699 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759135 397885339 /nfs/dbraw/zinc/88/53/39/397885339.db2.gz DQRDIAXFDGTFRU-HYVNUMGLSA-N 2 0 287.451 2.781 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000650758083 397885376 /nfs/dbraw/zinc/88/53/76/397885376.db2.gz IKAZWEHOPADEIV-LBPRGKRZSA-N 2 0 273.355 2.791 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cnccc1C ZINC000650757220 397885576 /nfs/dbraw/zinc/88/55/76/397885576.db2.gz RSTXLPLTDKERKC-CQSZACIVSA-N 2 0 269.392 2.960 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650759677 397886225 /nfs/dbraw/zinc/88/62/25/397886225.db2.gz NXMUYOYIHBSJBB-JZXOWHBKSA-N 2 0 287.451 2.924 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)o1 ZINC000650762562 397887021 /nfs/dbraw/zinc/88/70/21/397887021.db2.gz DSNNNDDOCKLJRB-LBPRGKRZSA-N 2 0 250.386 2.937 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705539 397860646 /nfs/dbraw/zinc/86/06/46/397860646.db2.gz KXVOYROWSMOZDT-OKZBNKHCSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@@H]1C[NH3+] ZINC000650704360 397860808 /nfs/dbraw/zinc/86/08/08/397860808.db2.gz VHTUYDHUUCYODM-BBRMVZONSA-N 2 0 258.409 2.592 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763532 397887801 /nfs/dbraw/zinc/88/78/01/397887801.db2.gz CVQXZPDCXDISGJ-MRXNPFEDSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000650709029 397861885 /nfs/dbraw/zinc/86/18/85/397861885.db2.gz ZOOUFBDKTZNTTN-PBHICJAKSA-N 2 0 276.399 2.789 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000650709032 397861920 /nfs/dbraw/zinc/86/19/20/397861920.db2.gz ZOOUFBDKTZNTTN-YOEHRIQHSA-N 2 0 276.399 2.789 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[NH2+]C[C@@H](C)C1)C1CCCCC1 ZINC000650710588 397862657 /nfs/dbraw/zinc/86/26/57/397862657.db2.gz SQSDISNHYJBBEJ-HOTGVXAUSA-N 2 0 281.488 2.619 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2c1 ZINC000650711195 397863491 /nfs/dbraw/zinc/86/34/91/397863491.db2.gz LFEWJQVGWDRFAC-GDBMZVCRSA-N 2 0 286.423 2.592 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1C ZINC000650711875 397863658 /nfs/dbraw/zinc/86/36/58/397863658.db2.gz HEFHUILTRXMEII-BBRMVZONSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713304 397864711 /nfs/dbraw/zinc/86/47/11/397864711.db2.gz NOOUFICFJDYBRD-DOTOQJQBSA-N 2 0 293.499 2.748 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(Br)c2)CC1 ZINC000650712221 397864724 /nfs/dbraw/zinc/86/47/24/397864724.db2.gz WZQDBSBFMUEDOX-UHFFFAOYSA-N 2 0 283.213 2.668 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650713064 397864868 /nfs/dbraw/zinc/86/48/68/397864868.db2.gz CVCMBZSPXCLTRX-DOTOQJQBSA-N 3 0 287.451 2.541 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713117 397864993 /nfs/dbraw/zinc/86/49/93/397864993.db2.gz GQUBVNQNPPBYFW-UHFFFAOYSA-N 2 0 252.789 2.867 20 0 CFADRP CCO[C@@H]1C[N@H+](C[C@@H](C)c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000650714628 397865572 /nfs/dbraw/zinc/86/55/72/397865572.db2.gz SVUSACGIEZQZKF-XNRPHZJLSA-N 2 0 296.842 2.739 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713893 397865802 /nfs/dbraw/zinc/86/58/02/397865802.db2.gz IIRGTMHCCBHCNB-LBPRGKRZSA-N 2 0 266.816 2.990 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000650715191 397866534 /nfs/dbraw/zinc/86/65/34/397866534.db2.gz UBBYGNNLNVJINK-AWEZNQCLSA-N 2 0 250.361 2.572 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715202 397866668 /nfs/dbraw/zinc/86/66/68/397866668.db2.gz UGVVEKPUXDHLQV-DJIMGWMZSA-N 2 0 287.451 2.924 20 0 CFADRP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717981 397867444 /nfs/dbraw/zinc/86/74/44/397867444.db2.gz STUWQKJPWBQLJV-ZDUSSCGKSA-N 2 0 250.361 2.953 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]CC2CCCCC2)c(F)c1 ZINC000650717588 397867553 /nfs/dbraw/zinc/86/75/53/397867553.db2.gz GJVFBNXCOACPOT-UHFFFAOYSA-N 2 0 250.361 2.954 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C[NH3+])cc1F ZINC000650717129 397867830 /nfs/dbraw/zinc/86/78/30/397867830.db2.gz SHIQZHNVJYWYBD-CJNGLKHVSA-N 2 0 293.430 2.685 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000650719908 397869179 /nfs/dbraw/zinc/86/91/79/397869179.db2.gz AHEUJXAPAWVVBQ-YJBOKZPZSA-N 3 0 289.467 2.806 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000650719702 397869183 /nfs/dbraw/zinc/86/91/83/397869183.db2.gz ZXPKYZULCMVEHW-IAGOWNOFSA-N 2 0 276.424 2.699 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650764128 397888517 /nfs/dbraw/zinc/88/85/17/397888517.db2.gz QQRVAZSWJHQPPX-OAHLLOKOSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650721155 397870166 /nfs/dbraw/zinc/87/01/66/397870166.db2.gz SJTOQELBXCDQJV-PVAVHDDUSA-N 2 0 287.451 2.924 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000650722222 397870228 /nfs/dbraw/zinc/87/02/28/397870228.db2.gz NJPGWNAHZSEPNB-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC[C@@H]2CCc3ccccc3N2)CC1 ZINC000650721054 397870588 /nfs/dbraw/zinc/87/05/88/397870588.db2.gz NXPDMWHRQNSSDJ-PREGVCBESA-N 2 0 287.451 2.911 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650763662 397888585 /nfs/dbraw/zinc/88/85/85/397888585.db2.gz GPTJQUYTEWORNS-QGZVFWFLSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1F ZINC000650764087 397888667 /nfs/dbraw/zinc/88/86/67/397888667.db2.gz PXDFONZBCQJCFF-LBPRGKRZSA-N 2 0 280.387 2.875 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740792 397874818 /nfs/dbraw/zinc/87/48/18/397874818.db2.gz RIHNBCRUEJJXKL-CHWSQXEVSA-N 2 0 264.388 2.963 20 0 CFADRP CC[C@H](OCC[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000650741371 397875310 /nfs/dbraw/zinc/87/53/10/397875310.db2.gz CHGAADGCYONQBL-FMKPAKJESA-N 2 0 264.413 2.870 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740959 397875746 /nfs/dbraw/zinc/87/57/46/397875746.db2.gz VCGMTQONEKRKEE-CZUORRHYSA-N 2 0 276.399 2.964 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650741642 397876033 /nfs/dbraw/zinc/87/60/33/397876033.db2.gz IMOMWINRWGPNAJ-AALSBFMBSA-N 2 0 280.456 2.558 20 0 CFADRP CC[N@H+](CCCN[C@@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000650741953 397876701 /nfs/dbraw/zinc/87/67/01/397876701.db2.gz OMKBKWUANLSUEK-CABCVRRESA-N 2 0 269.477 2.747 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(F)c1 ZINC000650742766 397876729 /nfs/dbraw/zinc/87/67/29/397876729.db2.gz DARKSWMKAISRHE-NSHDSACASA-N 2 0 266.360 2.614 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccccc1F ZINC000650743171 397877472 /nfs/dbraw/zinc/87/74/72/397877472.db2.gz NPIDCDDOZUYACT-WFASDCNBSA-N 2 0 268.376 2.620 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650743534 397877586 /nfs/dbraw/zinc/87/75/86/397877586.db2.gz VVDVHTLDJYECKP-INIZCTEOSA-N 2 0 274.408 2.791 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2cccn2)cc1 ZINC000650744357 397878303 /nfs/dbraw/zinc/87/83/03/397878303.db2.gz MKHDIBNDEXFRCL-AWEZNQCLSA-N 2 0 284.407 2.652 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000650744243 397878369 /nfs/dbraw/zinc/87/83/69/397878369.db2.gz JGXWFQUQIPHEOZ-GFCCVEGCSA-N 2 0 250.411 2.844 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745339 397879052 /nfs/dbraw/zinc/87/90/52/397879052.db2.gz DQSOFYPIGIIYBJ-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000650746052 397879614 /nfs/dbraw/zinc/87/96/14/397879614.db2.gz VAGJDBOFIVZCHX-OAHLLOKOSA-N 2 0 262.372 2.995 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000650747723 397880390 /nfs/dbraw/zinc/88/03/90/397880390.db2.gz GJWALFYUMSDKAE-LLVKDONJSA-N 2 0 284.325 2.810 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(CO)c1 ZINC000650754643 397883712 /nfs/dbraw/zinc/88/37/12/397883712.db2.gz NKTWZPONRJEMEN-LBPRGKRZSA-N 2 0 288.366 2.628 20 0 CFADRP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCCC1 ZINC000650754989 397883899 /nfs/dbraw/zinc/88/38/99/397883899.db2.gz WJCWTBSIZDOISK-INIZCTEOSA-N 2 0 280.387 2.579 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000650756727 397884487 /nfs/dbraw/zinc/88/44/87/397884487.db2.gz IMLYZKKUGXMMNT-DAXOMENPSA-N 2 0 276.424 2.555 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1ccoc1 ZINC000650755267 397884533 /nfs/dbraw/zinc/88/45/33/397884533.db2.gz ATPVXFIALDMPSP-CYBMUJFWSA-N 2 0 258.365 2.720 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402821484 413176298 /nfs/dbraw/zinc/17/62/98/413176298.db2.gz OOMNQXVRTOSUPE-NOLJZWGESA-N 2 0 262.372 2.948 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CCCCC1 ZINC000421865681 292135835 /nfs/dbraw/zinc/13/58/35/292135835.db2.gz ZTHDJFCJLKSNIL-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000421819817 292148546 /nfs/dbraw/zinc/14/85/46/292148546.db2.gz JDSIUNJUXJBQIF-ARFHVFGLSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000404311965 413195754 /nfs/dbraw/zinc/19/57/54/413195754.db2.gz XCVMCUBWPHHLMV-WFASDCNBSA-N 2 0 250.361 2.775 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404325001 413196120 /nfs/dbraw/zinc/19/61/20/413196120.db2.gz UJLJMYHAWJSCGU-GOEBONIOSA-N 2 0 276.424 2.953 20 0 CFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336420032 296584075 /nfs/dbraw/zinc/58/40/75/296584075.db2.gz PZCJSMHYQMQEQX-IRXDYDNUSA-N 2 0 292.467 2.677 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404396903 413203344 /nfs/dbraw/zinc/20/33/44/413203344.db2.gz OZGMKOBUZOFYJL-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP COC1CCC([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414819337 292159679 /nfs/dbraw/zinc/15/96/79/292159679.db2.gz YMMAMRONSUJRFH-UWTIGNOOSA-N 2 0 262.397 2.754 20 0 CFADRP COC1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423166378 292160089 /nfs/dbraw/zinc/16/00/89/292160089.db2.gz CLXPVHBZKCPCGG-UIDBIOKJSA-N 2 0 268.445 2.844 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000404433501 413206139 /nfs/dbraw/zinc/20/61/39/413206139.db2.gz PXOPMLNUIBBQTP-CRAIPNDOSA-N 2 0 298.434 2.822 20 0 CFADRP CSC1(C[NH2+]C2CCC(C[NH+](C)C)CC2)CCC1 ZINC000356100234 155162212 /nfs/dbraw/zinc/16/22/12/155162212.db2.gz AHRCFAXXBUBIKM-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000656782004 413219813 /nfs/dbraw/zinc/21/98/13/413219813.db2.gz CGRCOAPLCYCVSC-YALNPMBYSA-N 2 0 273.424 2.695 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656785066 413223493 /nfs/dbraw/zinc/22/34/93/413223493.db2.gz KATHLDBLXUWKMU-BBRMVZONSA-N 2 0 261.413 2.669 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465792 413223613 /nfs/dbraw/zinc/22/36/13/413223613.db2.gz LMLKVJKVSVSXNW-XHSDSOJGSA-N 2 0 250.430 2.887 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786250 413223697 /nfs/dbraw/zinc/22/36/97/413223697.db2.gz QWBHYFCRTHOZCH-INIZCTEOSA-N 2 0 274.408 2.604 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897392 533675151 /nfs/dbraw/zinc/67/51/51/533675151.db2.gz DXXISPWQZZAWNP-HNNXBMFYSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccncc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785864 413223857 /nfs/dbraw/zinc/22/38/57/413223857.db2.gz KGIXMIOHUUOZMO-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP CC(C)n1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785512 413224814 /nfs/dbraw/zinc/22/48/14/413224814.db2.gz LCHRGIJUCXJSFA-KRWDZBQOSA-N 2 0 290.455 2.676 20 0 CFADRP CCOCCC1(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000415083866 286047809 /nfs/dbraw/zinc/04/78/09/286047809.db2.gz FXJWLHIZBWJYGI-JKSUJKDBSA-N 2 0 282.472 2.951 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423007492 286048835 /nfs/dbraw/zinc/04/88/35/286048835.db2.gz XVFNLJSFWIQHQM-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465310 413226135 /nfs/dbraw/zinc/22/61/35/413226135.db2.gz JIAIMYMXJJXGCV-HIFRSBDPSA-N 2 0 268.445 2.512 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246361095 286049244 /nfs/dbraw/zinc/04/92/44/286049244.db2.gz ILNWESFJDLDOEI-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422892635 286049664 /nfs/dbraw/zinc/04/96/64/286049664.db2.gz YYVDYPDGEHSJFZ-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261636965 292198744 /nfs/dbraw/zinc/19/87/44/292198744.db2.gz WNZLXIYQDROMPD-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788671 413230717 /nfs/dbraw/zinc/23/07/17/413230717.db2.gz ANDXUECPTSZYEG-LBPRGKRZSA-N 2 0 252.427 2.930 20 0 CFADRP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)c(-c2ccnn2C)c1 ZINC000656789762 413233017 /nfs/dbraw/zinc/23/30/17/413233017.db2.gz XPVGUEGHPWQYEB-UHFFFAOYSA-N 2 0 298.434 2.757 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656788856 413233343 /nfs/dbraw/zinc/23/33/43/413233343.db2.gz DXUQPBMVEGMSME-RDJZCZTQSA-N 2 0 287.451 2.683 20 0 CFADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656790655 413234279 /nfs/dbraw/zinc/23/42/79/413234279.db2.gz HGMAVOVNRDJUFN-GDBMZVCRSA-N 2 0 250.430 2.888 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000656791069 413234642 /nfs/dbraw/zinc/23/46/42/413234642.db2.gz ROFGQWXDAWIGDY-KLZNWCGWSA-N 2 0 256.393 2.652 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000656791068 413237195 /nfs/dbraw/zinc/23/71/95/413237195.db2.gz ROFGQWXDAWIGDY-KCYZZUKISA-N 2 0 256.393 2.652 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415115589 413241276 /nfs/dbraw/zinc/24/12/76/413241276.db2.gz YOCHIBYTRBSYLW-KLHDSHLOSA-N 2 0 268.445 2.844 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c[nH]c2nccnc12 ZINC000356432038 155264507 /nfs/dbraw/zinc/26/45/07/155264507.db2.gz FEDBQDALGLRJPH-CYBMUJFWSA-N 2 0 289.427 2.510 20 0 CFADRP C[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321409 413245429 /nfs/dbraw/zinc/24/54/29/413245429.db2.gz REJKAOHKRIINQL-HZPDHXFCSA-N 2 0 287.451 2.717 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000663498743 413245725 /nfs/dbraw/zinc/24/57/25/413245725.db2.gz FIKDZWCSKUEIQZ-QGZVFWFLSA-N 2 0 275.440 2.618 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000663499247 413246102 /nfs/dbraw/zinc/24/61/02/413246102.db2.gz HLMRWEWJNAFZGY-SWLSCSKDSA-N 2 0 295.402 2.506 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000663498920 413246539 /nfs/dbraw/zinc/24/65/39/413246539.db2.gz UHCFKRKVCYXASH-MRXNPFEDSA-N 2 0 284.407 2.607 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2occc21 ZINC000192942384 286198823 /nfs/dbraw/zinc/19/88/23/286198823.db2.gz JWDJHKCPGDVGQF-ZFWWWQNUSA-N 2 0 280.412 2.603 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1O ZINC000414810029 533675569 /nfs/dbraw/zinc/67/55/69/533675569.db2.gz NGVMQDXEXJZTGT-GFCCVEGCSA-N 2 0 286.375 2.710 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663503117 413251363 /nfs/dbraw/zinc/25/13/63/413251363.db2.gz ODNXDXAXSGINCQ-UKRRQHHQSA-N 2 0 264.413 2.589 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000423242280 286282443 /nfs/dbraw/zinc/28/24/43/286282443.db2.gz FFADCTAWZRYORJ-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415060519 286292789 /nfs/dbraw/zinc/29/27/89/286292789.db2.gz YNBJWKIRSIRCTP-RDJZCZTQSA-N 2 0 288.435 2.968 20 0 CFADRP C[NH2+]C[C@H](C)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000663514795 413259658 /nfs/dbraw/zinc/25/96/58/413259658.db2.gz TXQGJVVRLFIHOE-MNOVXSKESA-N 2 0 274.330 2.834 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356779820 155364370 /nfs/dbraw/zinc/36/43/70/155364370.db2.gz IHJIXLNPNXZEET-IINYFYTJSA-N 2 0 286.341 2.576 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cn1 ZINC000356778758 155364957 /nfs/dbraw/zinc/36/49/57/155364957.db2.gz HUZXGXLOMRWVRZ-AWEZNQCLSA-N 2 0 278.444 2.847 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000653279875 413271911 /nfs/dbraw/zinc/27/19/11/413271911.db2.gz HLGOCSXJLZCVEA-MLGOLLRUSA-N 2 0 255.365 2.546 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)c(C)c1 ZINC000414079995 286369389 /nfs/dbraw/zinc/36/93/89/286369389.db2.gz SKKCQEZNCZTXHW-AWEZNQCLSA-N 2 0 264.413 2.996 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(CC)CC ZINC000423339498 286384308 /nfs/dbraw/zinc/38/43/08/286384308.db2.gz VGEGPZBXKSKDOU-LSDHHAIUSA-N 2 0 282.472 2.950 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[C@H](C)[NH3+] ZINC000423222284 286386624 /nfs/dbraw/zinc/38/66/24/286386624.db2.gz ALZCLPBVFPXSNE-XHDPSFHLSA-N 2 0 262.397 2.745 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C12CCCC2 ZINC000422813513 286398736 /nfs/dbraw/zinc/39/87/36/286398736.db2.gz ZKHUPVXQHFFWOP-LVQVYYBASA-N 2 0 280.456 2.702 20 0 CFADRP CCN1C[C@H]([NH2+]CCCn2ccc3ccccc32)[C@@H](C)C1 ZINC000343165904 154131041 /nfs/dbraw/zinc/13/10/41/154131041.db2.gz PIYFLLSZNDKFIP-RDJZCZTQSA-N 2 0 285.435 2.961 20 0 CFADRP C[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000345697632 154242507 /nfs/dbraw/zinc/24/25/07/154242507.db2.gz XXACBHMYXHMAQL-ZDUSSCGKSA-N 2 0 262.372 2.781 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345764826 154262787 /nfs/dbraw/zinc/26/27/87/154262787.db2.gz FIQBINCOKQKGDH-IXDOHACOSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000348110931 154324876 /nfs/dbraw/zinc/32/48/76/154324876.db2.gz GILRNHLPJKUQNR-HNNXBMFYSA-N 2 0 293.455 2.794 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348113572 154326598 /nfs/dbraw/zinc/32/65/98/154326598.db2.gz XMTGCWHNMRTCCK-ROUUACIJSA-N 2 0 288.435 2.905 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000122323446 292308985 /nfs/dbraw/zinc/30/89/85/292308985.db2.gz PJZSSKRGDIPAKB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)[C@H](C)C1 ZINC000358406086 155753897 /nfs/dbraw/zinc/75/38/97/155753897.db2.gz SBMOISKDXVJFDH-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CCc1cnc(C[N@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000359206984 156022553 /nfs/dbraw/zinc/02/25/53/156022553.db2.gz HWIDPIQUDZULPE-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](CC)CC1)c1ccco1 ZINC000360156371 156036967 /nfs/dbraw/zinc/03/69/67/156036967.db2.gz PYJCHFUWTPQXBH-INIZCTEOSA-N 2 0 293.455 2.736 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362922874 156115422 /nfs/dbraw/zinc/11/54/22/156115422.db2.gz OXIOTLSTQXFYKG-UHFFFAOYSA-N 2 0 275.371 2.738 20 0 CFADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccno1 ZINC000363570637 156183888 /nfs/dbraw/zinc/18/38/88/156183888.db2.gz ZAXSAWFTVNKONR-ZDUSSCGKSA-N 2 0 274.368 2.659 20 0 CFADRP Cc1cc(N2CCC([N@@H+](C)CC[C@H](C)F)CC2)nc(C)n1 ZINC000367133301 156285562 /nfs/dbraw/zinc/28/55/62/156285562.db2.gz LJMOLVGPLFGDTE-LBPRGKRZSA-N 2 0 294.418 2.742 20 0 CFADRP FCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367158609 156288702 /nfs/dbraw/zinc/28/87/02/156288702.db2.gz TWYSMPXOXXGGDL-OAHLLOKOSA-N 2 0 256.409 2.934 20 0 CFADRP CCOC1CC(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000367159113 156289749 /nfs/dbraw/zinc/28/97/49/156289749.db2.gz VIYDFDGFOYVKBL-AOCRQIFASA-N 2 0 294.483 2.999 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCCC3CCCCC3)C[C@@H]2C1 ZINC000367327601 156314752 /nfs/dbraw/zinc/31/47/52/156314752.db2.gz RXWOFIBCSKABMD-IYBDPMFKSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367365725 156321019 /nfs/dbraw/zinc/32/10/19/156321019.db2.gz RFXCFVZVLFYOHN-BRWVUGGUSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367590834 156356409 /nfs/dbraw/zinc/35/64/09/156356409.db2.gz WKDDCLIIAADNSW-MRXNPFEDSA-N 2 0 290.455 2.963 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000367602669 156360498 /nfs/dbraw/zinc/36/04/98/156360498.db2.gz VHTYFFPFDXLNOL-PMPSAXMXSA-N 2 0 262.372 2.788 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@H]2CCC[C@H]21 ZINC000367625503 156366231 /nfs/dbraw/zinc/36/62/31/156366231.db2.gz YLPZHKHSKXZZKC-QLFBSQMISA-N 2 0 264.438 2.753 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@H]2CCC[C@H]21 ZINC000367635805 156370759 /nfs/dbraw/zinc/37/07/59/156370759.db2.gz MCXKVYUHYOCNQF-IXDOHACOSA-N 2 0 294.389 2.970 20 0 CFADRP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1cccnc1 ZINC000367645941 156372026 /nfs/dbraw/zinc/37/20/26/156372026.db2.gz SMNOPIXAAQKTAQ-HNNXBMFYSA-N 2 0 296.418 2.852 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000367725487 156382566 /nfs/dbraw/zinc/38/25/66/156382566.db2.gz KLMIWMFINLPNJS-ZACQAIPSSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000657179364 413330118 /nfs/dbraw/zinc/33/01/18/413330118.db2.gz UIBPOPGKVMKTKO-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000370646710 156706966 /nfs/dbraw/zinc/70/69/66/156706966.db2.gz YLDXZOJUDFUWIT-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373521153 157002679 /nfs/dbraw/zinc/00/26/79/157002679.db2.gz KGKMXQLKJXKZJY-CKUJCDMFSA-N 2 0 280.456 2.797 20 0 CFADRP COC(=O)[C@@H](c1ccccc1)N1CCC(c2c[nH]cn2)CC1 ZINC000374208884 157082941 /nfs/dbraw/zinc/08/29/41/157082941.db2.gz OBMHIOGTTAEDRF-MRXNPFEDSA-N 2 0 299.374 2.503 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCCF)CC2)C1CC1 ZINC000374310565 157098266 /nfs/dbraw/zinc/09/82/66/157098266.db2.gz MYUXODZWRNTZOG-CYBMUJFWSA-N 2 0 254.393 2.542 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC1 ZINC000651190008 413344375 /nfs/dbraw/zinc/34/43/75/413344375.db2.gz JMJFDUXIFIBNFV-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP CO[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000374675520 157146674 /nfs/dbraw/zinc/14/66/74/157146674.db2.gz DIWBCTYAQCHNLV-KBPBESRZSA-N 2 0 265.401 2.506 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCn2ccnc2)[C@H]1c1ccccc1 ZINC000375479667 157247395 /nfs/dbraw/zinc/24/73/95/157247395.db2.gz DCKBIIICPVMOCI-QZTJIDSGSA-N 2 0 298.434 2.556 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375760166 157281071 /nfs/dbraw/zinc/28/10/71/157281071.db2.gz SLRAWFMSJRSEFS-SJPCQFCGSA-N 2 0 288.435 2.931 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccs2)[C@H]2CCC[C@H]21 ZINC000375847370 157296078 /nfs/dbraw/zinc/29/60/78/157296078.db2.gz AOIMIZYLDCLWSN-HZSPNIEDSA-N 2 0 250.411 2.711 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000375898052 157303043 /nfs/dbraw/zinc/30/30/43/157303043.db2.gz OCQUICDCPBYZEP-VNQPRFMTSA-N 2 0 262.372 2.788 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000375896614 157303217 /nfs/dbraw/zinc/30/32/17/157303217.db2.gz YLWMAAROODQAIQ-KBMXLJTQSA-N 2 0 280.362 2.927 20 0 CFADRP c1cc2c(cc[nH+]c2NC[C@H]2CCCC[N@@H+]2C2CC2)[nH]1 ZINC000663845294 413410736 /nfs/dbraw/zinc/41/07/36/413410736.db2.gz XHTVFROCAMXEBZ-CYBMUJFWSA-N 2 0 270.380 2.992 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414858342 298384104 /nfs/dbraw/zinc/38/41/04/298384104.db2.gz RLMVUHCSTRIVOC-MNOVXSKESA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000423465781 298399499 /nfs/dbraw/zinc/39/94/99/298399499.db2.gz WUVOFPHCDNLTOH-KGLIPLIRSA-N 2 0 286.423 2.865 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000422778860 298399708 /nfs/dbraw/zinc/39/97/08/298399708.db2.gz HWPPKIZPBVSQNK-KBMXLJTQSA-N 2 0 262.397 2.624 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1F ZINC000123652041 161515672 /nfs/dbraw/zinc/51/56/72/161515672.db2.gz XDUHKTHOCODEHO-CQSZACIVSA-N 2 0 268.376 2.640 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2n1CCC2 ZINC000657311776 413431822 /nfs/dbraw/zinc/43/18/22/413431822.db2.gz UVVUBICPCICZPE-OAHLLOKOSA-N 2 0 290.455 2.574 20 0 CFADRP COc1ccc([C@@H]2C[C@H]2[C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000342623614 161672441 /nfs/dbraw/zinc/67/24/41/161672441.db2.gz HNQCAZHKLSTHTA-JQFCIGGWSA-N 2 0 276.424 2.729 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657315201 413435460 /nfs/dbraw/zinc/43/54/60/413435460.db2.gz IKAFNHPBUMLYJB-AWEZNQCLSA-N 2 0 271.408 2.908 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657316103 413435504 /nfs/dbraw/zinc/43/55/04/413435504.db2.gz XUTRAPGNPCXDHS-GFCCVEGCSA-N 2 0 275.421 2.728 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353541733 286906570 /nfs/dbraw/zinc/90/65/70/286906570.db2.gz KYRGKGYPFZLWDS-OAHLLOKOSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000344633163 162085975 /nfs/dbraw/zinc/08/59/75/162085975.db2.gz RBAUSXBDBMUQBY-YOEHRIQHSA-N 2 0 298.434 2.957 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000344640769 162087260 /nfs/dbraw/zinc/08/72/60/162087260.db2.gz NLWSTZXXLGOXEZ-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CN(C)C[C@@H]2C)ccc1Br ZINC000344671403 162093958 /nfs/dbraw/zinc/09/39/58/162093958.db2.gz KXPQIBJPQKPSQK-FZMZJTMJSA-N 2 0 297.240 2.797 20 0 CFADRP C[C@H]1C[C@H](NCc2csc(C3CC3)n2)CC[N@@H+]1C ZINC000344677013 162094620 /nfs/dbraw/zinc/09/46/20/162094620.db2.gz KEVGIIHKZVZWMV-CMPLNLGQSA-N 2 0 265.426 2.593 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]CCCCOc1ccccc1 ZINC000345161802 162188959 /nfs/dbraw/zinc/18/89/59/162188959.db2.gz JFMDDCALRRGGEK-HNNXBMFYSA-N 2 0 264.413 2.775 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000345186270 162196886 /nfs/dbraw/zinc/19/68/86/162196886.db2.gz ICRLLFKNYQAMDR-AWEZNQCLSA-N 2 0 276.424 2.704 20 0 CFADRP CC[C@H](C)N(CCn1ccnc1C)CC(=O)OC(C)(C)C ZINC000346320804 162382839 /nfs/dbraw/zinc/38/28/39/162382839.db2.gz ZPFNHMYHBQELPN-ZDUSSCGKSA-N 2 0 295.427 2.634 20 0 CFADRP CC(C)[NH+]1CCC(N(CCC[NH3+])c2ccccc2F)CC1 ZINC000346375643 162399506 /nfs/dbraw/zinc/39/95/06/162399506.db2.gz ZJIOCSQKFQNWFP-UHFFFAOYSA-N 2 0 293.430 2.854 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCCCC1 ZINC000346550940 162442360 /nfs/dbraw/zinc/44/23/60/162442360.db2.gz DUZURUNKKBNZEO-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346993023 162575258 /nfs/dbraw/zinc/57/52/58/162575258.db2.gz UINVLLGGCUBNDU-UHFFFAOYSA-N 3 0 295.515 2.820 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000349663864 163000676 /nfs/dbraw/zinc/00/06/76/163000676.db2.gz KSSYZBGQHGFVAG-CQSZACIVSA-N 2 0 282.403 2.835 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000349668402 163000701 /nfs/dbraw/zinc/00/07/01/163000701.db2.gz QXDGNGSMLPHSHW-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000349960070 163043406 /nfs/dbraw/zinc/04/34/06/163043406.db2.gz AEBGGVVVOUQIEQ-HNNXBMFYSA-N 2 0 282.472 2.713 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000350185937 163065991 /nfs/dbraw/zinc/06/59/91/163065991.db2.gz ZFVCFTNKLHGHFP-UHFFFAOYSA-N 2 0 294.439 2.980 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000350185945 163066095 /nfs/dbraw/zinc/06/60/95/163066095.db2.gz ZHTQZIHJCXUTNV-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000350218901 163067914 /nfs/dbraw/zinc/06/79/14/163067914.db2.gz JPUJDCLQASPPKS-UHFFFAOYSA-N 2 0 291.439 2.649 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000350257203 163068137 /nfs/dbraw/zinc/06/81/37/163068137.db2.gz ACSQDVFMZYVLQZ-UHFFFAOYSA-N 2 0 289.423 2.616 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000350262414 163069659 /nfs/dbraw/zinc/06/96/59/163069659.db2.gz ZIQXURNWIOJIPX-JKSUJKDBSA-N 2 0 266.429 2.528 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@H](O)CN(C)C1CC1)C(C)(C)C ZINC000351578860 163151503 /nfs/dbraw/zinc/15/15/03/163151503.db2.gz HQHQCQAOIBZWIX-JKSUJKDBSA-N 2 0 284.488 2.882 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000351857158 163206668 /nfs/dbraw/zinc/20/66/68/163206668.db2.gz WTIZLZCDUOUIQY-GDBMZVCRSA-N 2 0 284.403 2.888 20 0 CFADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000352246620 163219076 /nfs/dbraw/zinc/21/90/76/163219076.db2.gz QNXOLOGVXBEHEK-UHFFFAOYSA-N 2 0 283.419 2.995 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000352941842 163274742 /nfs/dbraw/zinc/27/47/42/163274742.db2.gz DPTRCETZUFMMPS-IAQYHMDHSA-N 2 0 298.377 2.662 20 0 CFADRP CSC1(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)CC[NH+](C)CC1 ZINC000353222830 163320555 /nfs/dbraw/zinc/32/05/55/163320555.db2.gz QZDKPTVWGGCKDD-STQMWFEESA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000353346983 163348068 /nfs/dbraw/zinc/34/80/68/163348068.db2.gz MZMWVPXSGBXDIP-AEFFLSMTSA-N 2 0 298.434 2.526 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000353346985 163348591 /nfs/dbraw/zinc/34/85/91/163348591.db2.gz MZMWVPXSGBXDIP-FUHWJXTLSA-N 2 0 298.434 2.526 20 0 CFADRP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000353346869 163348824 /nfs/dbraw/zinc/34/88/24/163348824.db2.gz KNRYJRVRMHFXLG-LBPRGKRZSA-N 2 0 267.804 2.964 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2 ZINC000353390140 163355876 /nfs/dbraw/zinc/35/58/76/163355876.db2.gz YAAMBMUZOJFQHW-LRVUVFPRSA-N 2 0 290.407 2.939 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000353392650 163357059 /nfs/dbraw/zinc/35/70/59/163357059.db2.gz GYFZGQSRENHISL-ULQDDVLXSA-N 2 0 292.398 2.667 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000353436455 163365109 /nfs/dbraw/zinc/36/51/09/163365109.db2.gz BNZNZIDNLFOLHM-UHFFFAOYSA-N 2 0 250.361 2.788 20 0 CFADRP COc1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353466601 163372940 /nfs/dbraw/zinc/37/29/40/163372940.db2.gz ZXIDMZFBNKQNQZ-UHFFFAOYSA-N 2 0 262.397 2.658 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000353481464 163373603 /nfs/dbraw/zinc/37/36/03/163373603.db2.gz CYTCZOFQKFECDP-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000353481466 163374603 /nfs/dbraw/zinc/37/46/03/163374603.db2.gz CYTCZOFQKFECDP-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nccs1 ZINC000353505080 163380658 /nfs/dbraw/zinc/38/06/58/163380658.db2.gz UUMBTEJYHLUMHP-VOMCLLRMSA-N 2 0 253.415 2.667 20 0 CFADRP Cc1ccn2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)nc2c1 ZINC000353514447 163383378 /nfs/dbraw/zinc/38/33/78/163383378.db2.gz GWCALZUTIXHXEX-BBWFWOEESA-N 2 0 298.434 2.605 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cn1 ZINC000353838489 163463950 /nfs/dbraw/zinc/46/39/50/163463950.db2.gz BCVMNCNMTMHJHS-OAHLLOKOSA-N 2 0 267.392 2.849 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000651421495 413463719 /nfs/dbraw/zinc/46/37/19/413463719.db2.gz YSBZOSLVPYOONW-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518919 287021556 /nfs/dbraw/zinc/02/15/56/287021556.db2.gz QPJRZMLIESYMNJ-HUUCEWRRSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCCOC1 ZINC000356834083 287022031 /nfs/dbraw/zinc/02/20/31/287022031.db2.gz FWRQBXJSISRVFY-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423165002 287028779 /nfs/dbraw/zinc/02/87/79/287028779.db2.gz XOLGANAAPGAAQM-DGXTUMSLSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422964505 287032536 /nfs/dbraw/zinc/03/25/36/287032536.db2.gz LYUUMNPZZUNMGP-OAGGEKHMSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000459790112 287029952 /nfs/dbraw/zinc/02/99/52/287029952.db2.gz QUJJECCCQQGZBZ-KGLIPLIRSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423128741 287039796 /nfs/dbraw/zinc/03/97/96/287039796.db2.gz DHMLGUIYXWHTIA-SIXLDLHFSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423128739 287039892 /nfs/dbraw/zinc/03/98/92/287039892.db2.gz DHMLGUIYXWHTIA-IWCQGFGOSA-N 2 0 258.409 2.768 20 0 CFADRP CC[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321760 287057404 /nfs/dbraw/zinc/05/74/04/287057404.db2.gz RPWDZPCRDFCUSE-LSDHHAIUSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)C[NH+](C)C ZINC000310179026 298788343 /nfs/dbraw/zinc/78/83/43/298788343.db2.gz VVYFMSKWNZIQIU-GHMZBOCLSA-N 2 0 254.340 2.895 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438850 287218799 /nfs/dbraw/zinc/21/87/99/287218799.db2.gz NOOPNWSAQOLIRL-BEAPCOKYSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370656245 287218960 /nfs/dbraw/zinc/21/89/60/287218960.db2.gz BVXKNEGZJJSOLO-INMHGKMJSA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC000284432229 196053154 /nfs/dbraw/zinc/05/31/54/196053154.db2.gz PKSCQOQCWQLRJD-NVXWUHKLSA-N 2 0 276.424 2.648 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000020129129 171017393 /nfs/dbraw/zinc/01/73/93/171017393.db2.gz YYYIWLJVGRMARP-CYBMUJFWSA-N 2 0 250.361 2.962 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660662035 413478287 /nfs/dbraw/zinc/47/82/87/413478287.db2.gz QQXFXXKHLYASRU-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP CCCn1nccc1C[NH2+]CC1CC[NH+](CCC)CC1 ZINC000657347719 413479159 /nfs/dbraw/zinc/47/91/59/413479159.db2.gz FQYRPZPPNRZQNX-UHFFFAOYSA-N 2 0 278.444 2.505 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000657349579 413482231 /nfs/dbraw/zinc/48/22/31/413482231.db2.gz RWDPGQNILVMKOC-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)(CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)C1CC1 ZINC000653756153 413483020 /nfs/dbraw/zinc/48/30/20/413483020.db2.gz ZCRWXGWIUNWMEG-UHFFFAOYSA-N 2 0 294.483 2.639 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657347957 413483053 /nfs/dbraw/zinc/48/30/53/413483053.db2.gz YUFISNBYICQZHU-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)CO1 ZINC000657357974 413489689 /nfs/dbraw/zinc/48/96/89/413489689.db2.gz SCIOZQDSRKSDCN-USXIJHARSA-N 2 0 276.424 2.664 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CO1 ZINC000657362975 413499819 /nfs/dbraw/zinc/49/98/19/413499819.db2.gz DDTFZHNQWRXJGR-BFHYXJOUSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1CCCCO1 ZINC000653875045 413554580 /nfs/dbraw/zinc/55/45/80/413554580.db2.gz OPPGKOGUCYRGDK-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660758689 413541495 /nfs/dbraw/zinc/54/14/95/413541495.db2.gz ASKXGVQOWNCUPS-RDJZCZTQSA-N 2 0 294.483 2.639 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3cnccc3o2)CCN1C ZINC000651644540 413543024 /nfs/dbraw/zinc/54/30/24/413543024.db2.gz VESWAKAOEDCICP-JSGCOSHPSA-N 2 0 273.380 2.742 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000651670319 413557870 /nfs/dbraw/zinc/55/78/70/413557870.db2.gz DJZOPLACBDUWNC-HNNXBMFYSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674619 413560275 /nfs/dbraw/zinc/56/02/75/413560275.db2.gz XHUNXIAWLBHOCN-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651678935 413567385 /nfs/dbraw/zinc/56/73/85/413567385.db2.gz IZOKCFJRENVXKM-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651681328 413564027 /nfs/dbraw/zinc/56/40/27/413564027.db2.gz LDUHZNWOUPXLLH-CQSZACIVSA-N 2 0 258.409 2.607 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651681327 413564428 /nfs/dbraw/zinc/56/44/28/413564428.db2.gz LDUHZNWOUPXLLH-AWEZNQCLSA-N 2 0 258.409 2.607 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422884988 287266990 /nfs/dbraw/zinc/26/69/90/287266990.db2.gz SWUJWRFIYSYFPY-BRWVUGGUSA-N 3 0 281.488 2.891 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000657428879 413589532 /nfs/dbraw/zinc/58/95/32/413589532.db2.gz COOWDNWYWWPLLG-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CO1 ZINC000657429104 413595760 /nfs/dbraw/zinc/59/57/60/413595760.db2.gz DQTCPONJHFRHJF-QBYUYEEZSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](CCNc1cc[nH+]c2c(O)cccc12)[NH+](C)C ZINC000664243375 413652097 /nfs/dbraw/zinc/65/20/97/413652097.db2.gz FKINGSQVLDCEER-LLVKDONJSA-N 2 0 259.353 2.693 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4c3CCC4)C2)C1 ZINC000651816217 413660911 /nfs/dbraw/zinc/66/09/11/413660911.db2.gz JEFPJYCMIJLORG-GOSISDBHSA-N 2 0 270.420 2.703 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340520199 287268950 /nfs/dbraw/zinc/26/89/50/287268950.db2.gz PYLAKOOUPREYBA-VQHPVUNQSA-N 2 0 292.467 2.798 20 0 CFADRP CSc1cccc(F)c1CNC1CC[NH+](C)CC1 ZINC000285433222 196282198 /nfs/dbraw/zinc/28/21/98/196282198.db2.gz FGOZBZUUEILNTP-UHFFFAOYSA-N 2 0 268.401 2.731 20 0 CFADRP Cc1c[nH]c(CN[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000657447093 413618249 /nfs/dbraw/zinc/61/82/49/413618249.db2.gz PAAVUFSUOXYGHP-YOEHRIQHSA-N 2 0 286.423 2.808 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C1Cc2ccccc2C1 ZINC000651865972 413683758 /nfs/dbraw/zinc/68/37/58/413683758.db2.gz PADXKIMJOAMUKN-UHFFFAOYSA-N 2 0 260.425 2.721 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC000651865695 413688039 /nfs/dbraw/zinc/68/80/39/413688039.db2.gz FAMJYPOQISFHJW-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000657524375 413701108 /nfs/dbraw/zinc/70/11/08/413701108.db2.gz OFIDIMXWTIXSJN-AWEZNQCLSA-N 2 0 262.397 2.658 20 0 CFADRP CCC1(C[NH2+]C[C@H]2CCN2C(C)(C)C)CCOCC1 ZINC000657523187 413704224 /nfs/dbraw/zinc/70/42/24/413704224.db2.gz FCQPZAFBFHALCL-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccsc1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000657525207 413705591 /nfs/dbraw/zinc/70/55/91/413705591.db2.gz PJSQPALVIHYPNG-LLVKDONJSA-N 2 0 268.426 2.719 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H]1CO[C@H](C)C1)C1CCCCC1 ZINC000651910045 413710525 /nfs/dbraw/zinc/71/05/25/413710525.db2.gz FNMBQGURJRBODR-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536262 413720758 /nfs/dbraw/zinc/72/07/58/413720758.db2.gz ZUMCNKVTHWNCSF-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285475688 196296622 /nfs/dbraw/zinc/29/66/22/196296622.db2.gz ZWHFYPGDZTZBOG-DLBZAZTESA-N 2 0 276.424 2.526 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657617631 413796774 /nfs/dbraw/zinc/79/67/74/413796774.db2.gz XDBCUXPKWPOMAI-JXSMBQFASA-N 2 0 270.420 2.931 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657617633 413797055 /nfs/dbraw/zinc/79/70/55/413797055.db2.gz XDBCUXPKWPOMAI-OWIUFQIYSA-N 2 0 270.420 2.931 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000657574005 413761336 /nfs/dbraw/zinc/76/13/36/413761336.db2.gz SMQNCPHZOBNVKM-KRWDZBQOSA-N 2 0 291.483 2.665 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(CO)CC1 ZINC000657607229 413788055 /nfs/dbraw/zinc/78/80/55/413788055.db2.gz HHSSYDCQWWMDQD-AWEZNQCLSA-N 2 0 280.456 2.534 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000657662156 413833066 /nfs/dbraw/zinc/83/30/66/413833066.db2.gz UQUVVVQANDDSIK-IAGOWNOFSA-N 2 0 297.446 2.937 20 0 CFADRP C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000652246750 413847816 /nfs/dbraw/zinc/84/78/16/413847816.db2.gz YIHYAOVBUHECDW-DYVFJYSZSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000657678474 413850496 /nfs/dbraw/zinc/85/04/96/413850496.db2.gz QZWMWAOWMLVNHS-OAGGEKHMSA-N 2 0 291.483 2.608 20 0 CFADRP CC1(C)[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(F)F ZINC000657739328 413894779 /nfs/dbraw/zinc/89/47/79/413894779.db2.gz RIZMKLJCSBNVOA-CYBMUJFWSA-N 2 0 292.333 2.648 20 0 CFADRP CCc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc[nH+]1 ZINC000664677247 413895950 /nfs/dbraw/zinc/89/59/50/413895950.db2.gz GKGARRUPCRRZRC-HNNXBMFYSA-N 2 0 273.424 2.600 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC000652348275 413899692 /nfs/dbraw/zinc/89/96/92/413899692.db2.gz ZTIFNBWSUKGMQF-GVDBMIGSSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000652350179 413902572 /nfs/dbraw/zinc/90/25/72/413902572.db2.gz JUMHPCBXJAPRAE-WMLDXEAASA-N 2 0 276.399 2.789 20 0 CFADRP COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000652358518 413905816 /nfs/dbraw/zinc/90/58/16/413905816.db2.gz OOPZCPWAHNDHQZ-DLBZAZTESA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353456 413906949 /nfs/dbraw/zinc/90/69/49/413906949.db2.gz KHAOLWCKUDNCCW-QWHCGFSZSA-N 2 0 278.827 2.911 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657860348 414010895 /nfs/dbraw/zinc/01/08/95/414010895.db2.gz ZQBMTXYAUQGLPF-UHFFFAOYSA-N 2 0 274.399 2.928 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000657874014 414016779 /nfs/dbraw/zinc/01/67/79/414016779.db2.gz XOWHHVZHMQJUGS-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP c1nc2ccccn2c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811919 413958277 /nfs/dbraw/zinc/95/82/77/413958277.db2.gz JVXBXBLLOUDRRN-UHFFFAOYSA-N 2 0 298.434 2.546 20 0 CFADRP CC(C)n1cncc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813833 413960020 /nfs/dbraw/zinc/96/00/20/413960020.db2.gz AYLQEAMJXVLUFR-UHFFFAOYSA-N 2 0 290.455 2.676 20 0 CFADRP CCCn1nccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813815 413961059 /nfs/dbraw/zinc/96/10/59/413961059.db2.gz ACHBUZINBQPMPB-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP CCc1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cs1 ZINC000657812507 413961263 /nfs/dbraw/zinc/96/12/63/413961263.db2.gz QEEKJLSXNHOIOB-UHFFFAOYSA-N 2 0 293.480 2.917 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813493 413962519 /nfs/dbraw/zinc/96/25/19/413962519.db2.gz POOQXLHYENIMOJ-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657817188 413966732 /nfs/dbraw/zinc/96/67/32/413966732.db2.gz PZNYIVCQOVGCQB-NSHDSACASA-N 2 0 250.377 2.988 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCn2nccc21)Cc1ccccc1 ZINC000657824012 413974243 /nfs/dbraw/zinc/97/42/43/413974243.db2.gz NQAVMWKJNMBWSY-QGZVFWFLSA-N 2 0 298.434 2.830 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657823601 413976086 /nfs/dbraw/zinc/97/60/86/413976086.db2.gz ICSGAVIXXHPUJF-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)CCC1 ZINC000657825044 413977916 /nfs/dbraw/zinc/97/79/16/413977916.db2.gz VHTUTEXQJSTTMR-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000657825351 413978368 /nfs/dbraw/zinc/97/83/68/413978368.db2.gz YVFMEJNWXYILEW-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C)CC([NH2+]C2CC(CF)(CF)C2)CC(C)(C)[NH2+]1 ZINC000657825188 413979726 /nfs/dbraw/zinc/97/97/26/413979726.db2.gz NIHLMBVURSNNCT-UHFFFAOYSA-N 2 0 274.399 2.973 20 0 CFADRP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)N1CCC[C@H](C)C1 ZINC000657834698 413986272 /nfs/dbraw/zinc/98/62/72/413986272.db2.gz ASMKYJIXAFSQIK-STQMWFEESA-N 2 0 274.399 2.784 20 0 CFADRP C[NH+](C)CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000285623431 196346305 /nfs/dbraw/zinc/34/63/05/196346305.db2.gz ZPSNGQBFMSXOPN-HWKANZROSA-N 2 0 254.324 2.519 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)CCC1 ZINC000657841854 413997852 /nfs/dbraw/zinc/99/78/52/413997852.db2.gz HIGVCOCPCMCJAD-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346857551 287275418 /nfs/dbraw/zinc/27/54/18/287275418.db2.gz WWGFQUPGESMHCZ-SQNIBIBYSA-N 2 0 293.499 2.572 20 0 CFADRP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000037408240 173185339 /nfs/dbraw/zinc/18/53/39/173185339.db2.gz IBHUFOVUGYUESM-LBPRGKRZSA-N 2 0 266.335 2.539 20 0 CFADRP CCC[N@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000037538974 173258728 /nfs/dbraw/zinc/25/87/28/173258728.db2.gz RBKWBXPSRBDGHT-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969989 414078728 /nfs/dbraw/zinc/07/87/28/414078728.db2.gz XKFTYKQBKMPKTH-JYJNAYRXSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1C ZINC000658127554 414221672 /nfs/dbraw/zinc/22/16/72/414221672.db2.gz NFNRYMNAHMSJFT-GDBMZVCRSA-N 2 0 283.419 2.850 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265094 414221893 /nfs/dbraw/zinc/22/18/93/414221893.db2.gz OZTSVHMQZOYDGW-PBHICJAKSA-N 2 0 285.435 2.699 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263530 414222899 /nfs/dbraw/zinc/22/28/99/414222899.db2.gz OHZCEIMYODRTIK-ZBURPKILSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000665267460 414224640 /nfs/dbraw/zinc/22/46/40/414224640.db2.gz XAEHMORPPRRMKH-GJZGRUSLSA-N 2 0 267.461 2.501 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2COc3cc(F)ccc3C2)c2ccccc21 ZINC000665267600 414225447 /nfs/dbraw/zinc/22/54/47/414225447.db2.gz ZIROCXFTOMNENI-XYPHTWIQSA-N 2 0 298.361 2.864 20 0 CFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000665274595 414229746 /nfs/dbraw/zinc/22/97/46/414229746.db2.gz UHDFJRYJMAXAEP-CWQOZTLDSA-N 2 0 270.420 2.910 20 0 CFADRP c1ccc([C@H]2CC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000665274496 414230249 /nfs/dbraw/zinc/23/02/49/414230249.db2.gz RBLUSLSDKLVFCO-PFUJJPPESA-N 2 0 256.393 2.805 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274523 414231247 /nfs/dbraw/zinc/23/12/47/414231247.db2.gz SASNWLLBADTDGD-TVQRCGJNSA-N 2 0 283.366 2.791 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139288 414233620 /nfs/dbraw/zinc/23/36/20/414233620.db2.gz QLRIGBURXLRNDL-SQNIBIBYSA-N 2 0 288.435 2.531 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C1CCCC1 ZINC000665275607 414234772 /nfs/dbraw/zinc/23/47/72/414234772.db2.gz NSWDVHLZBNHQDV-PXAZEXFGSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H](C)C1CCCCC1 ZINC000665277423 414238142 /nfs/dbraw/zinc/23/81/42/414238142.db2.gz BDMLIYXDXQEHCP-RNDNHVFHSA-N 2 0 250.430 2.933 20 0 CFADRP COC1CC(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000665230778 414188821 /nfs/dbraw/zinc/18/88/21/414188821.db2.gz VVQBVYFBRWQWNR-JWMHWRSXSA-N 2 0 268.445 2.702 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000665228769 414189192 /nfs/dbraw/zinc/18/91/92/414189192.db2.gz GZJGMLKZDRFDII-CYBMUJFWSA-N 2 0 291.222 2.837 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000665230193 414189513 /nfs/dbraw/zinc/18/95/13/414189513.db2.gz LBYFFGLJVGQKMQ-DCNYZXSGSA-N 2 0 260.381 2.536 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000665236964 414191073 /nfs/dbraw/zinc/19/10/73/414191073.db2.gz XLORFYIZEWJXJQ-MAZHCROVSA-N 2 0 273.424 2.594 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccccn1 ZINC000665232356 414191193 /nfs/dbraw/zinc/19/11/93/414191193.db2.gz LKJOYNBYLOTLNC-IIDMSEBBSA-N 2 0 283.419 2.733 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)noc2c1 ZINC000665232158 414191342 /nfs/dbraw/zinc/19/13/42/414191342.db2.gz HGVPMLQBLMMPGM-FVQBIDKESA-N 2 0 299.418 2.881 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234796 414192278 /nfs/dbraw/zinc/19/22/78/414192278.db2.gz KEFLQHMQGWOIET-IHRRRGAJSA-N 2 0 295.858 2.882 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665235033 414193864 /nfs/dbraw/zinc/19/38/64/414193864.db2.gz OQWOLYHIDPCJJV-MAZHCROVSA-N 2 0 264.388 2.925 20 0 CFADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665232130 414194153 /nfs/dbraw/zinc/19/41/53/414194153.db2.gz GRQLPYOTZULUJD-YESZJQIVSA-N 2 0 273.424 2.669 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccnc3ccccc23)C1 ZINC000665239272 414197767 /nfs/dbraw/zinc/19/77/67/414197767.db2.gz PTDLVYIDMLYRCV-GJZGRUSLSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665238506 414198657 /nfs/dbraw/zinc/19/86/57/414198657.db2.gz ZUJYCRFXAOQKBT-JBLDHEPKSA-N 2 0 282.350 2.592 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244491 414200522 /nfs/dbraw/zinc/20/05/22/414200522.db2.gz OXWVTKPVSJJQKN-RISCZKNCSA-N 2 0 278.371 2.584 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277816 414238806 /nfs/dbraw/zinc/23/88/06/414238806.db2.gz MKCKXDUVZAPBNI-ADKAHSJRSA-N 2 0 272.436 2.985 20 0 CFADRP Cc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1C ZINC000665245214 414205638 /nfs/dbraw/zinc/20/56/38/414205638.db2.gz BVVISMYXQDOPON-UHFFFAOYSA-N 2 0 260.425 2.953 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)c1 ZINC000665246727 414206530 /nfs/dbraw/zinc/20/65/30/414206530.db2.gz MMPBFXOGFMJVEZ-ZDUSSCGKSA-N 2 0 262.397 2.926 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)o1 ZINC000658108791 414207304 /nfs/dbraw/zinc/20/73/04/414207304.db2.gz SFPVPWAXUITYKK-DZGCQCFKSA-N 2 0 295.471 2.819 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCc3ccccc3C2)CCCC1 ZINC000665247026 414207214 /nfs/dbraw/zinc/20/72/14/414207214.db2.gz UFCLCMAXSLPIPK-INIZCTEOSA-N 2 0 258.409 2.795 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665248726 414211184 /nfs/dbraw/zinc/21/11/84/414211184.db2.gz BETRKMXBRBWJNW-MRXNPFEDSA-N 2 0 274.408 2.934 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)CCCC[NH3+] ZINC000665262132 414218596 /nfs/dbraw/zinc/21/85/96/414218596.db2.gz UWNPABMIAOZRLG-NWDGAFQWSA-N 2 0 286.366 2.839 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000665277918 414240306 /nfs/dbraw/zinc/24/03/06/414240306.db2.gz PISBIZPAZRSWLG-IIIMJFFVSA-N 2 0 270.420 2.658 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000665279397 414241759 /nfs/dbraw/zinc/24/17/59/414241759.db2.gz BOMAPKJYZUUCFN-UKRRQHHQSA-N 2 0 292.423 2.872 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665279476 414242063 /nfs/dbraw/zinc/24/20/63/414242063.db2.gz CZFGPLQUJZTAHG-BLLLJJGKSA-N 2 0 277.412 2.669 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281526 414245339 /nfs/dbraw/zinc/24/53/39/414245339.db2.gz FSKUAMMBDIDJMH-ILXRZTDVSA-N 2 0 270.461 2.789 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CCC2 ZINC000665280470 414245525 /nfs/dbraw/zinc/24/55/25/414245525.db2.gz CBMRCLWLLZPTKL-NEPJUHHUSA-N 2 0 267.442 2.792 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000665281571 414247060 /nfs/dbraw/zinc/24/70/60/414247060.db2.gz GYQVQNRNXSPZDA-ZBFHGGJFSA-N 2 0 261.413 2.896 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2ccco2)c2ccccc21 ZINC000665283137 414247110 /nfs/dbraw/zinc/24/71/10/414247110.db2.gz IERBEXPHHVJGRJ-HOTGVXAUSA-N 2 0 256.349 2.947 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000665283076 414247357 /nfs/dbraw/zinc/24/73/57/414247357.db2.gz HGXTXHZJIKRFPP-OWCLPIDISA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ccco1 ZINC000665282830 414247854 /nfs/dbraw/zinc/24/78/54/414247854.db2.gz CNZVSHCENFZDQH-PBHICJAKSA-N 2 0 272.392 2.760 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000665283140 414249344 /nfs/dbraw/zinc/24/93/44/414249344.db2.gz IFFCCWJAHREFER-UHFFFAOYSA-N 2 0 298.333 2.615 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283316 414249388 /nfs/dbraw/zinc/24/93/88/414249388.db2.gz LJPRHZXEINNLRX-JOYOIKCWSA-N 2 0 288.313 2.644 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000658167460 414254148 /nfs/dbraw/zinc/25/41/48/414254148.db2.gz YCBLOVDMZFXCKT-RVKKMQEKSA-N 2 0 287.451 2.928 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658170733 414262074 /nfs/dbraw/zinc/26/20/74/414262074.db2.gz NHJFDIGFQKVEJV-YCPHGPKFSA-N 2 0 268.445 2.654 20 0 CFADRP C(C[N@@H+]1CC[C@H](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000665290350 414265037 /nfs/dbraw/zinc/26/50/37/414265037.db2.gz VBILPSDJUMCJFP-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000665300024 414271416 /nfs/dbraw/zinc/27/14/16/414271416.db2.gz WXAHYSUPJSDMHZ-PMPSAXMXSA-N 2 0 296.418 2.719 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000658188181 414271953 /nfs/dbraw/zinc/27/19/53/414271953.db2.gz PBOINCDQTQNHRF-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299274 414272553 /nfs/dbraw/zinc/27/25/53/414272553.db2.gz JTFJQWYIWCUQIN-MFKMUULPSA-N 2 0 287.329 2.578 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665300138 414273107 /nfs/dbraw/zinc/27/31/07/414273107.db2.gz YWMDNKSLARFGLB-GXFFZTMASA-N 2 0 287.329 2.708 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@@H](C)C1 ZINC000658191918 414275111 /nfs/dbraw/zinc/27/51/11/414275111.db2.gz IUGVBVOURCBOFM-UOVPBQLFSA-N 2 0 288.435 2.916 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@H](C)C1 ZINC000658191916 414275600 /nfs/dbraw/zinc/27/56/00/414275600.db2.gz IUGVBVOURCBOFM-JOCBIADPSA-N 2 0 288.435 2.916 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000665301075 414276437 /nfs/dbraw/zinc/27/64/37/414276437.db2.gz NVJPWPLUCAYGIC-WDEREUQCSA-N 2 0 266.351 2.943 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661864807 414276463 /nfs/dbraw/zinc/27/64/63/414276463.db2.gz PPHSPEUYYHKQOD-IRXDYDNUSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH+](C)CC1 ZINC000658204861 414277227 /nfs/dbraw/zinc/27/72/27/414277227.db2.gz CLCCHNSYGMCVRR-UKMLZYKCSA-N 2 0 250.430 2.743 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC1 ZINC000658207696 414281732 /nfs/dbraw/zinc/28/17/32/414281732.db2.gz PEISXFMQJBUGQK-WMZOPIPTSA-N 2 0 288.435 2.633 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3ccccc23)CC[N@@H+]1C ZINC000658211682 414285237 /nfs/dbraw/zinc/28/52/37/414285237.db2.gz BCZZOVXYVVQCNJ-GDBMZVCRSA-N 2 0 285.435 2.793 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215780 414286795 /nfs/dbraw/zinc/28/67/95/414286795.db2.gz XHUZMGFLJDMFAN-KDOFPFPSSA-N 2 0 297.446 2.793 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215781 414288899 /nfs/dbraw/zinc/28/88/99/414288899.db2.gz XHUZMGFLJDMFAN-KSSFIOAISA-N 2 0 297.446 2.793 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878879 414291806 /nfs/dbraw/zinc/29/18/06/414291806.db2.gz RJCCGWJNSAEYQS-BRWVUGGUSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000658229419 414299992 /nfs/dbraw/zinc/29/99/92/414299992.db2.gz RSPFXNCRTXFKJD-DOTOQJQBSA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658227716 414301240 /nfs/dbraw/zinc/30/12/40/414301240.db2.gz BUICKGRNXJKDEP-RYRKJORJSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000658236492 414307725 /nfs/dbraw/zinc/30/77/25/414307725.db2.gz IYNYVVIKDXHZSZ-AAEUAGOBSA-N 2 0 289.379 2.668 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277726 414240054 /nfs/dbraw/zinc/24/00/54/414240054.db2.gz JYRFJAJPMDTDIC-IQXANGCESA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655690654 414366443 /nfs/dbraw/zinc/36/64/43/414366443.db2.gz HMIVPSNZZNMZSV-CVEARBPZSA-N 2 0 290.455 2.962 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCC2)[C@@H](C)C1 ZINC000658315135 414369327 /nfs/dbraw/zinc/36/93/27/414369327.db2.gz MCTRXOCBOORGGQ-BPUTZDHNSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000655746551 414406395 /nfs/dbraw/zinc/40/63/95/414406395.db2.gz WZYZVQYUKQZKCV-INIZCTEOSA-N 2 0 289.423 2.614 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000655774916 414423868 /nfs/dbraw/zinc/42/38/68/414423868.db2.gz MADDLHVYGQYNHT-OLZOCXBDSA-N 2 0 256.459 2.735 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000655839624 414472782 /nfs/dbraw/zinc/47/27/82/414472782.db2.gz VOFBLAJZONOHBV-SUJAAXHWSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000655788721 414435954 /nfs/dbraw/zinc/43/59/54/414435954.db2.gz NGPZGRCUOKPAHZ-RRQGHBQHSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[N@H+](C)CC(C)(C)NCCC[NH+]1CCCCC1 ZINC000662177564 414445146 /nfs/dbraw/zinc/44/51/46/414445146.db2.gz JJBCQSXKRQFIGJ-UHFFFAOYSA-N 2 0 269.477 2.572 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000655802645 414447852 /nfs/dbraw/zinc/44/78/52/414447852.db2.gz GGFYROQMESEECL-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)oc1C ZINC000655804053 414449655 /nfs/dbraw/zinc/44/96/55/414449655.db2.gz NPENPKYWJCXEMJ-BNOWGMLFSA-N 2 0 250.386 2.887 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803787 414449685 /nfs/dbraw/zinc/44/96/85/414449685.db2.gz DNQQCILMJIGWLN-JHNDHUHGSA-N 2 0 276.424 2.692 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655807428 414450798 /nfs/dbraw/zinc/45/07/98/414450798.db2.gz LTJZJWOOYBLGLI-NFAWXSAZSA-N 2 0 262.397 2.686 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000655805778 414451107 /nfs/dbraw/zinc/45/11/07/414451107.db2.gz LBCZNHMQBBLNQS-FRRDWIJNSA-N 2 0 279.453 2.759 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806962 414451153 /nfs/dbraw/zinc/45/11/53/414451153.db2.gz FNGALXQBORKTBT-MCIONIFRSA-N 2 0 262.397 2.686 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805763 414451192 /nfs/dbraw/zinc/45/11/92/414451192.db2.gz RYANPMLOLYASNS-MXWKQRLJSA-N 2 0 252.324 2.647 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806064 414451563 /nfs/dbraw/zinc/45/15/63/414451563.db2.gz OXASZSBJBLLUPU-INMHGKMJSA-N 2 0 260.425 2.856 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000655805405 414451836 /nfs/dbraw/zinc/45/18/36/414451836.db2.gz NBAVRLSIGVLIGF-KCQAQPDRSA-N 2 0 293.430 2.883 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000655839563 414473536 /nfs/dbraw/zinc/47/35/36/414473536.db2.gz SZOORGGRLXDDPF-AJNGGQMLSA-N 2 0 268.445 2.652 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000655824259 414461182 /nfs/dbraw/zinc/46/11/82/414461182.db2.gz GXSYWVPKDPTSDB-KDYLLFBJSA-N 2 0 258.409 2.994 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000655825559 414462038 /nfs/dbraw/zinc/46/20/38/414462038.db2.gz HPUNIRPSNOLYIR-FZNQNYSPSA-N 2 0 269.392 2.665 20 0 CFADRP Cc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1F ZINC000655824941 414462453 /nfs/dbraw/zinc/46/24/53/414462453.db2.gz RGONYKVFOFYTSP-XBXGTLAGSA-N 2 0 250.361 2.564 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655825683 414462562 /nfs/dbraw/zinc/46/25/62/414462562.db2.gz MBIVRXVSPBXEIZ-OKILXGFUSA-N 2 0 264.438 2.838 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826506 414462713 /nfs/dbraw/zinc/46/27/13/414462713.db2.gz GQOIZJVHCUTPBL-WCVJEAGWSA-N 2 0 250.430 2.909 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000655827268 414464817 /nfs/dbraw/zinc/46/48/17/414464817.db2.gz PKWUAKKKZRKHGS-XBXGTLAGSA-N 2 0 257.381 2.598 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@]1(C)CCCO1 ZINC000658353024 414398636 /nfs/dbraw/zinc/39/86/36/414398636.db2.gz JERZQTWAJGWOLB-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352056 414398756 /nfs/dbraw/zinc/39/87/56/414398756.db2.gz CKNHLGUARKDKIG-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCOC1 ZINC000658355092 414401569 /nfs/dbraw/zinc/40/15/69/414401569.db2.gz HFLMNCMELYJHIA-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cscn1 ZINC000658357888 414403610 /nfs/dbraw/zinc/40/36/10/414403610.db2.gz WADGOWJFHVUOGP-GFCCVEGCSA-N 2 0 279.453 2.916 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H](OC)C2CCCCC2)CC1 ZINC000662245277 414474788 /nfs/dbraw/zinc/47/47/88/414474788.db2.gz JSTLUHBDOZSJRZ-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1cccnc1 ZINC000655848794 414477165 /nfs/dbraw/zinc/47/71/65/414477165.db2.gz KVVFSTJOSMZDSV-IMJJTQAJSA-N 2 0 259.397 2.749 20 0 CFADRP COC1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848478 414477575 /nfs/dbraw/zinc/47/75/75/414477575.db2.gz FRACALPQYXEJOT-FJBKBRRZSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250761 414477676 /nfs/dbraw/zinc/47/76/76/414477676.db2.gz NNMIUJMXBRITQU-CHWSQXEVSA-N 2 0 294.826 2.854 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250638 414477758 /nfs/dbraw/zinc/47/77/58/414477758.db2.gz KMMMXEUEZOUXNL-HUUCEWRRSA-N 2 0 274.408 2.509 20 0 CFADRP CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255773 414478567 /nfs/dbraw/zinc/47/85/67/414478567.db2.gz RIGMENKPHPKGAG-IRXDYDNUSA-N 2 0 288.435 2.837 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662253570 414479339 /nfs/dbraw/zinc/47/93/39/414479339.db2.gz AGEMHBBTDZWABP-OAHLLOKOSA-N 2 0 288.435 2.581 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1F ZINC000662263334 414480958 /nfs/dbraw/zinc/48/09/58/414480958.db2.gz ACFUODATLXRBKP-GHMZBOCLSA-N 2 0 286.391 2.726 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259328 414481701 /nfs/dbraw/zinc/48/17/01/414481701.db2.gz VDFHREGRUZMWDJ-KFWWJZLASA-N 2 0 280.456 2.702 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000662272391 414488352 /nfs/dbraw/zinc/48/83/52/414488352.db2.gz FQGMAFYCTLVHKZ-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP COc1cccc(SCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000662272454 414488419 /nfs/dbraw/zinc/48/84/19/414488419.db2.gz NIANNGFJALLTTM-AWEZNQCLSA-N 2 0 294.464 2.848 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662272605 414488703 /nfs/dbraw/zinc/48/87/03/414488703.db2.gz GXJPPIWDNGYCON-NVXWUHKLSA-N 2 0 258.409 2.777 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000662272390 414489625 /nfs/dbraw/zinc/48/96/25/414489625.db2.gz FQGMAFYCTLVHKZ-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659293435 414490047 /nfs/dbraw/zinc/49/00/47/414490047.db2.gz HSIWHLWFKVKFGL-SJKOYZFVSA-N 2 0 295.386 2.879 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000662274488 414490714 /nfs/dbraw/zinc/49/07/14/414490714.db2.gz USGAHGCSJVQJAB-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000662275125 414491381 /nfs/dbraw/zinc/49/13/81/414491381.db2.gz SKFWPSZBBXHFHV-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662276223 414492832 /nfs/dbraw/zinc/49/28/32/414492832.db2.gz HKNXICULRGUENQ-OCCSQVGLSA-N 2 0 260.372 2.743 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000662276486 414492886 /nfs/dbraw/zinc/49/28/86/414492886.db2.gz NJJSFAJLTZWKBJ-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000662277654 414493547 /nfs/dbraw/zinc/49/35/47/414493547.db2.gz RLIMNXRVNQJQHM-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP c1cncc([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662283064 414494786 /nfs/dbraw/zinc/49/47/86/414494786.db2.gz KDWIMOZMGCGQKK-KRWDZBQOSA-N 2 0 293.414 2.717 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000662282631 414495350 /nfs/dbraw/zinc/49/53/50/414495350.db2.gz PKNAXXLJAXAHJG-ZIAGYGMSSA-N 2 0 294.464 2.704 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000662283016 414495795 /nfs/dbraw/zinc/49/57/95/414495795.db2.gz GEPHUZVSOWUNOS-SUMCQTLJSA-N 2 0 292.467 2.783 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662283913 414495821 /nfs/dbraw/zinc/49/58/21/414495821.db2.gz RJSUYBDHLZNXMX-XQHKEYJVSA-N 2 0 262.388 2.973 20 0 CFADRP COc1ccc(C(C)C)cc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000655938359 414496020 /nfs/dbraw/zinc/49/60/20/414496020.db2.gz SZUVKDROKIGIQA-CZUORRHYSA-N 2 0 276.424 2.988 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)n1 ZINC000662293395 414496288 /nfs/dbraw/zinc/49/62/88/414496288.db2.gz RMIKZORYRBNJIF-KRWDZBQOSA-N 2 0 287.451 2.910 20 0 CFADRP [NH3+]CCC[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655948442 414496599 /nfs/dbraw/zinc/49/65/99/414496599.db2.gz ZSPZSABEJFSREE-UHFFFAOYSA-N 2 0 282.378 2.958 20 0 CFADRP c1c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)onc1C1CC1 ZINC000662292512 414497285 /nfs/dbraw/zinc/49/72/85/414497285.db2.gz FTSCWKPNBOIBJA-HNNXBMFYSA-N 2 0 289.423 2.764 20 0 CFADRP CCCCOCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293387 414497298 /nfs/dbraw/zinc/49/72/98/414497298.db2.gz RJKKCRPONHBJDE-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000662293509 414497487 /nfs/dbraw/zinc/49/74/87/414497487.db2.gz LRHALOGIEPSHEE-SFHVURJKSA-N 2 0 287.451 2.726 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000662291536 414497999 /nfs/dbraw/zinc/49/79/99/414497999.db2.gz HSSZVERIETWXKH-HIFRSBDPSA-N 2 0 277.412 2.756 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[N@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000662298831 414499853 /nfs/dbraw/zinc/49/98/53/414499853.db2.gz HOYWXUUVUKJDIT-ZDUSSCGKSA-N 2 0 269.392 2.526 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1CCC[NH3+] ZINC000662313141 414503202 /nfs/dbraw/zinc/50/32/02/414503202.db2.gz KBJGMLFZYWNDAN-IBEHDNSVSA-N 2 0 250.430 2.872 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000662310282 414503253 /nfs/dbraw/zinc/50/32/53/414503253.db2.gz JIKXFUNXQNDYKE-ZBFHGGJFSA-N 2 0 294.414 2.809 20 0 CFADRP CC(C)Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662312309 414503459 /nfs/dbraw/zinc/50/34/59/414503459.db2.gz ASRZPLYTMVWJJT-ZIAGYGMSSA-N 2 0 294.443 2.608 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCc2ccccc2)CCO1 ZINC000662319237 414504769 /nfs/dbraw/zinc/50/47/69/414504769.db2.gz LDEDJRNOSJJWMU-GOSISDBHSA-N 2 0 290.451 2.662 20 0 CFADRP Cc1ncsc1CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316680 414505922 /nfs/dbraw/zinc/50/59/22/414505922.db2.gz LYVVJIPHDXRAMN-TZMCWYRMSA-N 2 0 281.469 2.833 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC000662324149 414507246 /nfs/dbraw/zinc/50/72/46/414507246.db2.gz VHXOKNXZPJDNEH-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662322404 414507268 /nfs/dbraw/zinc/50/72/68/414507268.db2.gz LUGSGCICSXPBAR-ZBFHGGJFSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325516 414507614 /nfs/dbraw/zinc/50/76/14/414507614.db2.gz HRLQLQFPWOKUNX-IKGGRYGDSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000662326530 414507648 /nfs/dbraw/zinc/50/76/48/414507648.db2.gz VKRSAKHETZMXFZ-SFHVURJKSA-N 2 0 290.451 2.846 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000656193109 414530954 /nfs/dbraw/zinc/53/09/54/414530954.db2.gz PBYKDPOJACUZTG-HUUCEWRRSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656196039 414531943 /nfs/dbraw/zinc/53/19/43/414531943.db2.gz UXAKNORUBKPXHD-XIRDDKMYSA-N 2 0 289.467 2.975 20 0 CFADRP COCC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)o1 ZINC000656197849 414532460 /nfs/dbraw/zinc/53/24/60/414532460.db2.gz BVZZSARISJWLLG-RDBSUJKOSA-N 2 0 266.385 2.525 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)c[nH]c21 ZINC000656196913 414532532 /nfs/dbraw/zinc/53/25/32/414532532.db2.gz UQPKMOIQIJOMNV-GJZGRUSLSA-N 2 0 271.408 2.878 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000656201402 414534615 /nfs/dbraw/zinc/53/46/15/414534615.db2.gz WWEBQPSKIANLKS-FUHWJXTLSA-N 2 0 281.403 2.975 20 0 CFADRP CCN(Cc1ccc(C)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659859299 414592470 /nfs/dbraw/zinc/59/24/70/414592470.db2.gz ZZRFFTVLISYINW-KRWDZBQOSA-N 2 0 278.440 2.518 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000659860175 414593557 /nfs/dbraw/zinc/59/35/57/414593557.db2.gz WNQVBAIRNMLRRL-SFHVURJKSA-N 2 0 292.467 2.846 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C ZINC000659861610 414594185 /nfs/dbraw/zinc/59/41/85/414594185.db2.gz YDMGMPZYFIOINV-CABCVRRESA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)=CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000659867322 414597262 /nfs/dbraw/zinc/59/72/62/414597262.db2.gz WLGDSSDERHTZHK-QZTJIDSGSA-N 2 0 293.499 2.833 20 0 CFADRP CO[C@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000659865946 414597315 /nfs/dbraw/zinc/59/73/15/414597315.db2.gz CXUCFJPPIKXMJH-QGZVFWFLSA-N 2 0 282.472 2.996 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000659871181 414601170 /nfs/dbraw/zinc/60/11/70/414601170.db2.gz OOQVZOIAFPYHNW-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000659949214 414627799 /nfs/dbraw/zinc/62/77/99/414627799.db2.gz VDOUTVDRZAZSDH-SJLPKXTDSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656268428 414553955 /nfs/dbraw/zinc/55/39/55/414553955.db2.gz CQSWZRRYXHRBHK-CWRNSKLLSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000659844182 414582383 /nfs/dbraw/zinc/58/23/83/414582383.db2.gz HUYXPYQJYODPCO-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659974161 414637312 /nfs/dbraw/zinc/63/73/12/414637312.db2.gz LQIVXZJEGVOQBN-BJWYYQGGSA-N 2 0 292.467 2.609 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659958903 414631181 /nfs/dbraw/zinc/63/11/81/414631181.db2.gz AWNLVAVDSNIUFH-FZKCQIBNSA-N 2 0 250.430 2.839 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000660010668 414649725 /nfs/dbraw/zinc/64/97/25/414649725.db2.gz KTKMIPXZJROHGM-FGTMMUONSA-N 2 0 294.483 2.998 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC000659982234 414641285 /nfs/dbraw/zinc/64/12/85/414641285.db2.gz IDZMLTLLXPJLFO-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000659983789 414641879 /nfs/dbraw/zinc/64/18/79/414641879.db2.gz VWKKNQIKQIGTIR-BDXSIMOUSA-N 2 0 295.515 2.769 20 0 CFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000659994934 414645407 /nfs/dbraw/zinc/64/54/07/414645407.db2.gz PWTHSABCINCTOH-XDNAFOTISA-N 2 0 293.499 2.523 20 0 CFADRP CCC1CCC([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000040435606 174261690 /nfs/dbraw/zinc/26/16/90/174261690.db2.gz OFNLJHYIQCOSOS-DAWZGUTISA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000040463763 174272836 /nfs/dbraw/zinc/27/28/36/174272836.db2.gz BEGUPUUAYOQPKF-OAHLLOKOSA-N 2 0 291.439 2.840 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000040601302 174351655 /nfs/dbraw/zinc/35/16/55/174351655.db2.gz SUGOXJXVQBGVRI-HNNXBMFYSA-N 2 0 269.392 2.666 20 0 CFADRP Cc1ccsc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746511 174391258 /nfs/dbraw/zinc/39/12/58/174391258.db2.gz SDJZTORKNUOETA-FUNVUKJBSA-N 2 0 250.411 2.771 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770164 174399929 /nfs/dbraw/zinc/39/99/29/174399929.db2.gz DFSJXOAEEHGKJV-IAGOWNOFSA-N 2 0 283.504 2.673 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343798 414676256 /nfs/dbraw/zinc/67/62/56/414676256.db2.gz FLEYMHMGAUYSSD-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344039 414676410 /nfs/dbraw/zinc/67/64/10/414676410.db2.gz MQNYYNYNXQJFJD-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP C([NH2+][C@H]1CCCSC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343979 414676680 /nfs/dbraw/zinc/67/66/80/414676680.db2.gz LIDBPVNXTLOBIQ-GJZGRUSLSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346218 414678095 /nfs/dbraw/zinc/67/80/95/414678095.db2.gz QYEXAFRMZDCSEZ-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663345542 414678161 /nfs/dbraw/zinc/67/81/61/414678161.db2.gz KOEPIFBWTUAFOP-SQNIBIBYSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000093944713 287295301 /nfs/dbraw/zinc/29/53/01/287295301.db2.gz CDNRMLKWEJRQGI-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044512297 175188358 /nfs/dbraw/zinc/18/83/58/175188358.db2.gz CPQVJYKGBOUGHZ-UHFFFAOYSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)o1 ZINC000044516159 175189921 /nfs/dbraw/zinc/18/99/21/175189921.db2.gz PKLJIAYTLGQXMG-LBPRGKRZSA-N 2 0 250.386 2.889 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000044515265 175190100 /nfs/dbraw/zinc/19/01/00/175190100.db2.gz ZOHWKFJPXBQHTM-UHFFFAOYSA-N 2 0 252.789 2.771 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044516144 175190188 /nfs/dbraw/zinc/19/01/88/175190188.db2.gz QYDFJWUJUSLARE-CYBMUJFWSA-N 2 0 289.423 2.637 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC000044517695 175190473 /nfs/dbraw/zinc/19/04/73/175190473.db2.gz QSHOZUZGHNOTEL-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2sccc2C)CC1 ZINC000044517403 175190484 /nfs/dbraw/zinc/19/04/84/175190484.db2.gz KRRKUYOOCRXOIH-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000044534349 175196879 /nfs/dbraw/zinc/19/68/79/175196879.db2.gz XUEBIUPNKQSJPB-AWEZNQCLSA-N 2 0 284.407 2.508 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044533836 175197345 /nfs/dbraw/zinc/19/73/45/175197345.db2.gz PDUCTWJMBAFOQY-HIFRSBDPSA-N 2 0 289.423 2.637 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044535038 175198572 /nfs/dbraw/zinc/19/85/72/175198572.db2.gz RXKWHSQZBGKRCK-CABCVRRESA-N 2 0 276.424 2.996 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535431 175198762 /nfs/dbraw/zinc/19/87/62/175198762.db2.gz BYHKAXWSWDNROF-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000414881741 287311040 /nfs/dbraw/zinc/31/10/40/287311040.db2.gz SQSWHCXAIDUDKN-GDBMZVCRSA-N 2 0 279.472 2.501 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000071142420 176040002 /nfs/dbraw/zinc/04/00/02/176040002.db2.gz LCLHXHGQDLNUDP-CQSZACIVSA-N 2 0 284.403 2.890 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000134722391 287367691 /nfs/dbraw/zinc/36/76/91/287367691.db2.gz WWRMJXBTCYQLAK-QGZVFWFLSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H]1C ZINC000415004354 287411305 /nfs/dbraw/zinc/41/13/05/287411305.db2.gz HRAWLTVGWRSOKC-HUHANWACSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000400962315 420502431 /nfs/dbraw/zinc/50/24/31/420502431.db2.gz LOYXXPIAWJPNAI-MWQQHZPXSA-N 2 0 258.409 2.768 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400998741 420502680 /nfs/dbraw/zinc/50/26/80/420502680.db2.gz ALELSWLYRJLLHI-GZBFAFLISA-N 2 0 250.430 2.790 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccncn1 ZINC000395962673 270314153 /nfs/dbraw/zinc/31/41/53/270314153.db2.gz GMAJEDGZZVXSFW-KBPBESRZSA-N 2 0 264.417 2.638 20 0 CFADRP C[C@H]([NH2+]CCc1csc2ccccc12)C1C[NH2+]C1 ZINC000422931428 270332392 /nfs/dbraw/zinc/33/23/92/270332392.db2.gz BQYFLSDGRSDMMT-NSHDSACASA-N 2 0 260.406 2.641 20 0 CFADRP CN1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000083418095 260350210 /nfs/dbraw/zinc/35/02/10/260350210.db2.gz NPDBCFDJGOPLGB-UHFFFAOYSA-N 2 0 256.752 2.663 20 0 CFADRP CC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390855877 262354372 /nfs/dbraw/zinc/35/43/72/262354372.db2.gz LHLJUNWQPMAZED-FBVQUNGASA-N 2 0 288.435 2.543 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2nccs2)c2ccccc21 ZINC000391137823 262383427 /nfs/dbraw/zinc/38/34/27/262383427.db2.gz PVKBGBMMSVVAMD-KGLIPLIRSA-N 2 0 273.405 2.810 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770625 263042305 /nfs/dbraw/zinc/04/23/05/263042305.db2.gz PFCIWQJBVGGGAS-CAOSSQGBSA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192742500 270233746 /nfs/dbraw/zinc/23/37/46/270233746.db2.gz PNDDNAIHWKWCCM-SFHVURJKSA-N 2 0 295.515 2.915 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000257726526 270273963 /nfs/dbraw/zinc/27/39/63/270273963.db2.gz WLXKYTBSROXNFC-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258910445 270274308 /nfs/dbraw/zinc/27/43/08/270274308.db2.gz ICXXYBSVGQHTDY-JKSUJKDBSA-N 2 0 260.425 2.996 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000258966311 270274867 /nfs/dbraw/zinc/27/48/67/270274867.db2.gz LFEBIHYEXRGQAN-KBPBESRZSA-N 2 0 250.361 2.573 20 0 CFADRP c1ccc2c(c1)cccc2C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000258972644 270275012 /nfs/dbraw/zinc/27/50/12/270275012.db2.gz KLIUYBYMXKLOAA-CQSZACIVSA-N 2 0 254.377 2.929 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323643795 270297741 /nfs/dbraw/zinc/29/77/41/270297741.db2.gz SKMRZRQFZGDNCQ-GOSISDBHSA-N 2 0 289.467 2.568 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000397264323 270316873 /nfs/dbraw/zinc/31/68/73/270316873.db2.gz IPGSBUNUCIMYAJ-ZJUUUORDSA-N 2 0 289.242 2.728 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000397318029 270317493 /nfs/dbraw/zinc/31/74/93/270317493.db2.gz RVAFDDATIOEAOA-BZPMIXESSA-N 2 0 250.361 2.631 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCc2ccccc2)C[C@H]1C[NH3+] ZINC000397375307 270317701 /nfs/dbraw/zinc/31/77/01/270317701.db2.gz IMBOXOUKVPCYAK-HLLBOEOZSA-N 2 0 260.425 2.924 20 0 CFADRP COCc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397408959 270318093 /nfs/dbraw/zinc/31/80/93/270318093.db2.gz NPKZGYKFLRNFNU-VBQJREDUSA-N 2 0 276.424 2.638 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1C[NH3+] ZINC000397459670 270318766 /nfs/dbraw/zinc/31/87/66/270318766.db2.gz QEGDRISJHJJNRF-BFYDXBDKSA-N 2 0 298.434 2.678 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397574765 270318842 /nfs/dbraw/zinc/31/88/42/270318842.db2.gz FWQAOJXIYNPBAY-SNPRPXQTSA-N 2 0 250.430 2.885 20 0 CFADRP CCC(CC)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397498692 270318960 /nfs/dbraw/zinc/31/89/60/270318960.db2.gz TWHYAEKEVSTTJV-UHFFFAOYSA-N 2 0 290.451 2.792 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1C[NH3+] ZINC000397459672 270319024 /nfs/dbraw/zinc/31/90/24/270319024.db2.gz QEGDRISJHJJNRF-HLLBOEOZSA-N 2 0 298.434 2.678 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000397901367 270320374 /nfs/dbraw/zinc/32/03/74/270320374.db2.gz WRNVVIRQZRFDAE-SJLPKXTDSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398057375 270321091 /nfs/dbraw/zinc/32/10/91/270321091.db2.gz AKFXMVDERJFOFK-LZLYRXPVSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000398008178 270321293 /nfs/dbraw/zinc/32/12/93/270321293.db2.gz ADKQJGZIBINTFJ-DDBAPUKQSA-N 2 0 287.451 2.509 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398087266 270321430 /nfs/dbraw/zinc/32/14/30/270321430.db2.gz IGWXPVPJZPVRIA-SOLBZPMBSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398057386 270321515 /nfs/dbraw/zinc/32/15/15/270321515.db2.gz AKFXMVDERJFOFK-NUJGCVRESA-N 2 0 289.467 2.614 20 0 CFADRP COc1ccc(C2([NH2+][C@@H](C)CCCC[NH3+])CC2)cc1 ZINC000422931417 270332435 /nfs/dbraw/zinc/33/24/35/270332435.db2.gz BQAATISTOBXVKF-ZDUSSCGKSA-N 2 0 262.397 2.791 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000422931313 270332487 /nfs/dbraw/zinc/33/24/87/270332487.db2.gz BNDZZKLWIQIHDK-NHYWBVRUSA-N 2 0 250.361 2.920 20 0 CFADRP COc1ccccc1[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccn1 ZINC000423012022 270332687 /nfs/dbraw/zinc/33/26/87/270332687.db2.gz JZFZGGOGQHAICL-KBXCAEBGSA-N 2 0 299.418 2.897 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424376892 270333249 /nfs/dbraw/zinc/33/32/49/270333249.db2.gz QKALTDDKPVMOLO-APIJFGDWSA-N 2 0 268.445 2.830 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000459447049 270338455 /nfs/dbraw/zinc/33/84/55/270338455.db2.gz FTAXECTUMINWON-OALUTQOASA-N 2 0 299.462 2.648 20 0 CFADRP Cc1cnn(-c2cc[nH+]cc2NCc2cncn2C(C)C)c1 ZINC000514667442 270348586 /nfs/dbraw/zinc/34/85/86/270348586.db2.gz OLSXPNGBCLURHA-UHFFFAOYSA-N 2 0 296.378 2.965 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000514930827 270358288 /nfs/dbraw/zinc/35/82/88/270358288.db2.gz ZJDAQVDSRWHKFL-KGLIPLIRSA-N 2 0 250.386 2.723 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000515002274 270359897 /nfs/dbraw/zinc/35/98/97/270359897.db2.gz KAMBJFIMGCWEPL-ZFWWWQNUSA-N 2 0 284.407 2.684 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)C ZINC000515368491 270370547 /nfs/dbraw/zinc/37/05/47/270370547.db2.gz MMLZCXQGIQZCRW-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OCC(C)C ZINC000516062539 270377084 /nfs/dbraw/zinc/37/70/84/270377084.db2.gz CPWRIEFEMWAZHS-UONOGXRCSA-N 2 0 294.439 2.945 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000516562155 270383955 /nfs/dbraw/zinc/38/39/55/270383955.db2.gz YSPNSLAGEOCGHY-HUUCEWRRSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000516894351 270390402 /nfs/dbraw/zinc/39/04/02/270390402.db2.gz AFFPPAPHTXQONO-GXTWGEPZSA-N 2 0 275.421 2.902 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNCc2cc(-c3ccccc3)n[nH]2)C1 ZINC000516894702 270390612 /nfs/dbraw/zinc/39/06/12/270390612.db2.gz PLYTUTLJPCUFAC-OAHLLOKOSA-N 2 0 298.434 2.897 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000516997607 270393856 /nfs/dbraw/zinc/39/38/56/270393856.db2.gz INQSGUJADVHHJB-PBHICJAKSA-N 2 0 290.476 2.948 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527632748 270511740 /nfs/dbraw/zinc/51/17/40/270511740.db2.gz VNAXOQDCZMZNDK-RCBQFDQVSA-N 2 0 250.430 2.883 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530210995 270770665 /nfs/dbraw/zinc/77/06/65/270770665.db2.gz KWOAYJVXDZBXAC-QZTJIDSGSA-N 2 0 272.436 2.899 20 0 CFADRP CC(C)CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247663 270779677 /nfs/dbraw/zinc/77/96/77/270779677.db2.gz BOKORKRVFOQLHN-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353659934 287647891 /nfs/dbraw/zinc/64/78/91/287647891.db2.gz NUANOQKVAUKDAR-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423276402 273966805 /nfs/dbraw/zinc/96/68/05/273966805.db2.gz OJVBFZNKNLELGV-ZIBATOQPSA-N 2 0 250.361 2.504 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349506 274101535 /nfs/dbraw/zinc/10/15/35/274101535.db2.gz VVCLBNOTMHXIDZ-NVXWUHKLSA-N 2 0 292.398 2.801 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000092836299 274136217 /nfs/dbraw/zinc/13/62/17/274136217.db2.gz LTGPATDYDAHOHT-SCLBCKFNSA-N 2 0 286.419 2.756 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000423490803 274139129 /nfs/dbraw/zinc/13/91/29/274139129.db2.gz ILBHNCWIKNUFHI-HACGYAERSA-N 2 0 274.408 2.790 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)C2 ZINC000414897719 274153175 /nfs/dbraw/zinc/15/31/75/274153175.db2.gz FIYMWMLBEWCAKF-HNNXBMFYSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000423562489 274246892 /nfs/dbraw/zinc/24/68/92/274246892.db2.gz QMHOIQKYVXWEED-OAHLLOKOSA-N 2 0 296.418 2.833 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H](CO)c2ccccc21 ZINC000372735007 274340190 /nfs/dbraw/zinc/34/01/90/274340190.db2.gz DLUHQJTVWVDYRS-YWBVBXMBSA-N 2 0 288.435 2.526 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000423397776 274377657 /nfs/dbraw/zinc/37/76/57/274377657.db2.gz OMGJKPBBGAOTPU-UHOFOFEASA-N 2 0 258.409 2.997 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423409359 274377686 /nfs/dbraw/zinc/37/76/86/274377686.db2.gz YUIKKUBRUKJMED-XFBWCDHKSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152499513 274392438 /nfs/dbraw/zinc/39/24/38/274392438.db2.gz KWUZVPSSKSJEEA-IKGGRYGDSA-N 2 0 287.451 2.585 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414884812 274482577 /nfs/dbraw/zinc/48/25/77/274482577.db2.gz WJDXGSYWJBDLHC-MRVPVSSYSA-N 2 0 264.266 2.529 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401019497 274498030 /nfs/dbraw/zinc/49/80/30/274498030.db2.gz KBECPZZQMYSGOM-DNNBLBMLSA-N 2 0 276.399 2.734 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423243466 274502987 /nfs/dbraw/zinc/50/29/87/274502987.db2.gz ZWTAOCIPTGQLBU-JOYOIKCWSA-N 2 0 254.374 2.690 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC3 ZINC000414839877 274767395 /nfs/dbraw/zinc/76/73/95/274767395.db2.gz WSBVAERRJNAFHY-HUUCEWRRSA-N 2 0 297.446 2.923 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423074286 274799858 /nfs/dbraw/zinc/79/98/58/274799858.db2.gz UIJASYLKHUNVHJ-FVQBIDKESA-N 2 0 274.408 2.926 20 0 CFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000301448817 274913778 /nfs/dbraw/zinc/91/37/78/274913778.db2.gz KTMQBRSCODSGNO-AWEZNQCLSA-N 2 0 283.350 2.824 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423473404 274944056 /nfs/dbraw/zinc/94/40/56/274944056.db2.gz YFUFHCPGXCYKDV-LFQZWDMBSA-N 2 0 274.383 2.919 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000037713434 274945279 /nfs/dbraw/zinc/94/52/79/274945279.db2.gz BDTYVFPFJGAVBJ-KRWDZBQOSA-N 2 0 254.377 2.909 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423538328 275067527 /nfs/dbraw/zinc/06/75/27/275067527.db2.gz GCONDKSKLBWSHQ-SOLBZPMBSA-N 2 0 299.462 2.633 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423257610 275069689 /nfs/dbraw/zinc/06/96/89/275069689.db2.gz KIHBIUZVVSYUQH-RHSMWYFYSA-N 2 0 290.476 2.996 20 0 CFADRP C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000335738111 275393182 /nfs/dbraw/zinc/39/31/82/275393182.db2.gz NODASPSKLNUABB-HUUCEWRRSA-N 2 0 268.470 2.736 20 0 CFADRP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353288262 275395124 /nfs/dbraw/zinc/39/51/24/275395124.db2.gz HCGNHSCXSRWUOW-JOCBIADPSA-N 2 0 292.467 2.656 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC12CCSCC2 ZINC000421379519 275395572 /nfs/dbraw/zinc/39/55/72/275395572.db2.gz LJHLDFWRKIPHJM-RBSFLKMASA-N 2 0 280.481 2.736 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[C@@H]1C1CC[NH2+]CC1 ZINC000423435593 275415258 /nfs/dbraw/zinc/41/52/58/275415258.db2.gz LFGPWBQKHYTAHA-DFBDCSAJSA-N 2 0 292.467 2.559 20 0 CFADRP C1CCC([NH+]2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC000335754882 275736349 /nfs/dbraw/zinc/73/63/49/275736349.db2.gz POXGBEUYGRYYMA-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000449094229 275879322 /nfs/dbraw/zinc/87/93/22/275879322.db2.gz RDEIEADCPHTKJS-ZACQAIPSSA-N 2 0 282.472 2.638 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000423172753 275885237 /nfs/dbraw/zinc/88/52/37/275885237.db2.gz VAVOOXIPTLPOOT-JONQDZQNSA-N 2 0 258.409 2.896 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414928498 276002046 /nfs/dbraw/zinc/00/20/46/276002046.db2.gz NIUIVJHABAWOFS-ILXRZTDVSA-N 2 0 268.445 2.558 20 0 CFADRP CCC[NH+]1CCC(NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000446842408 276004528 /nfs/dbraw/zinc/00/45/28/276004528.db2.gz WJPTXJBIUZDFKQ-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423482217 276022711 /nfs/dbraw/zinc/02/27/11/276022711.db2.gz OVRUMMJKUTWYRF-CVEARBPZSA-N 2 0 261.413 2.901 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000482872042 276041226 /nfs/dbraw/zinc/04/12/26/276041226.db2.gz IHIRLAANHUVSFU-ULQDDVLXSA-N 2 0 284.488 2.884 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000061571136 276097904 /nfs/dbraw/zinc/09/79/04/276097904.db2.gz CCBPLLSGYFBUGV-KGLIPLIRSA-N 2 0 258.475 2.982 20 0 CFADRP CC1(C)CC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000364859422 276114899 /nfs/dbraw/zinc/11/48/99/276114899.db2.gz NKPVTSJADQEMED-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453067067 276212455 /nfs/dbraw/zinc/21/24/55/276212455.db2.gz RLYNMWDUFSUCPB-HNNXBMFYSA-N 2 0 272.436 2.865 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000163319782 276221660 /nfs/dbraw/zinc/22/16/60/276221660.db2.gz RSYKEDKMRSLQJW-AHIWAGSCSA-N 2 0 276.399 2.990 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(O)CCC(C)CC2)C[C@H]1C ZINC000438820395 276224494 /nfs/dbraw/zinc/22/44/94/276224494.db2.gz PMQWJIDFWORUPC-GMRIPVOYSA-N 2 0 282.472 2.732 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000246455388 276228687 /nfs/dbraw/zinc/22/86/87/276228687.db2.gz PMORCQLCXPPWQO-XOKHGSTOSA-N 2 0 294.414 2.833 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000449491427 276228993 /nfs/dbraw/zinc/22/89/93/276228993.db2.gz GVJYCDKHUMLKNH-AVGNSLFASA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)[C@@H](C)C1 ZINC000246477767 276229178 /nfs/dbraw/zinc/22/91/78/276229178.db2.gz RBCCUISPCZNWQV-LUKYLMHMSA-N 2 0 282.472 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000131432792 276229808 /nfs/dbraw/zinc/22/98/08/276229808.db2.gz DSISWTKGROBMSL-PVAVHDDUSA-N 2 0 276.424 2.694 20 0 CFADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261657300 276251193 /nfs/dbraw/zinc/25/11/93/276251193.db2.gz WJXVHSKWCZXSFS-YESZJQIVSA-N 2 0 281.488 2.619 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000347184595 276264469 /nfs/dbraw/zinc/26/44/69/276264469.db2.gz XZFRGPWHWAKRRH-UHFFFAOYSA-N 2 0 278.444 2.529 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422998786 276314332 /nfs/dbraw/zinc/31/43/32/276314332.db2.gz DIPXBEWUHAXLAY-HZPDHXFCSA-N 2 0 274.408 2.928 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)cn2)CC1 ZINC000338261883 276323374 /nfs/dbraw/zinc/32/33/74/276323374.db2.gz KRJSIBJNKUPSQL-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H](SC)C1 ZINC000191590062 276324245 /nfs/dbraw/zinc/32/42/45/276324245.db2.gz PCEAYHKHQBTDBA-CQSZACIVSA-N 2 0 258.475 2.936 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccccc1 ZINC000349659822 276327750 /nfs/dbraw/zinc/32/77/50/276327750.db2.gz AAPINWBHFPBSAL-HNNXBMFYSA-N 2 0 264.413 2.696 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422999151 276379720 /nfs/dbraw/zinc/37/97/20/276379720.db2.gz RZGCMOBELRJZHM-DLBZAZTESA-N 2 0 276.424 2.877 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000088399410 276383529 /nfs/dbraw/zinc/38/35/29/276383529.db2.gz XBIHISOXLNDBIW-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP CC[C@H](C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423550495 276552177 /nfs/dbraw/zinc/55/21/77/276552177.db2.gz NXUHNIFWDSLXFH-QRTARXTBSA-N 2 0 274.408 2.878 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367050073 276803332 /nfs/dbraw/zinc/80/33/32/276803332.db2.gz LUJNFWDJJUUHPT-MRXNPFEDSA-N 2 0 280.456 2.801 20 0 CFADRP CN1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@@H]1c1ccccc1 ZINC000340314384 277023602 /nfs/dbraw/zinc/02/36/02/277023602.db2.gz ANYYXKBPWHDYGV-RBUKOAKNSA-N 2 0 299.462 2.673 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000341358030 277025514 /nfs/dbraw/zinc/02/55/14/277025514.db2.gz APBPBZMRRLUPFJ-YESZJQIVSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000211140025 277026576 /nfs/dbraw/zinc/02/65/76/277026576.db2.gz RGHYLQZPVZTVKU-MRXNPFEDSA-N 2 0 262.372 2.744 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423256403 277031224 /nfs/dbraw/zinc/03/12/24/277031224.db2.gz BVVSTKURRGNQNX-IHRRRGAJSA-N 2 0 264.413 2.632 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421862384 277053454 /nfs/dbraw/zinc/05/34/54/277053454.db2.gz WEQLJAAEBATFLY-RDJZCZTQSA-N 2 0 287.451 2.651 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)CC(C)(C)O ZINC000180198472 277059752 /nfs/dbraw/zinc/05/97/52/277059752.db2.gz FCCADXHCLXYNRG-QGZVFWFLSA-N 2 0 290.451 2.744 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421862385 277073737 /nfs/dbraw/zinc/07/37/37/277073737.db2.gz WEQLJAAEBATFLY-WBVHZDCISA-N 2 0 287.451 2.651 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]CC2CCCCCC2)CC1(C)C ZINC000441349765 277106214 /nfs/dbraw/zinc/10/62/14/277106214.db2.gz TXJLHIRSEWFOJU-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)[C@H]1c1ccccc1 ZINC000376164219 277163296 /nfs/dbraw/zinc/16/32/96/277163296.db2.gz UUTUQUUCVLPUDE-OWCLPIDISA-N 2 0 276.449 2.775 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000348329791 277196535 /nfs/dbraw/zinc/19/65/35/277196535.db2.gz RKRVSKZCOMYLEM-RBSFLKMASA-N 2 0 270.461 2.758 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C[C@@H]2C1 ZINC000194539957 277198708 /nfs/dbraw/zinc/19/87/08/277198708.db2.gz VCYSNELKPAGPCA-OGWHTMIXSA-N 2 0 284.447 2.990 20 0 CFADRP COC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000228147846 277247799 /nfs/dbraw/zinc/24/77/99/277247799.db2.gz QHUVPPVPYSXGIY-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000423119368 277259870 /nfs/dbraw/zinc/25/98/70/277259870.db2.gz DQVWNXFQNIMZEK-RDJZCZTQSA-N 2 0 276.424 2.716 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459739579 277260835 /nfs/dbraw/zinc/26/08/35/277260835.db2.gz SXBVCDIKLOXGBE-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000336521514 277265081 /nfs/dbraw/zinc/26/50/81/277265081.db2.gz YSBWBVQWRKXJPL-MRXNPFEDSA-N 2 0 262.372 2.744 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423201262 277268431 /nfs/dbraw/zinc/26/84/31/277268431.db2.gz OGLQVGDQHGDWPX-NEPJUHHUSA-N 2 0 277.437 2.987 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423204570 277268690 /nfs/dbraw/zinc/26/86/90/277268690.db2.gz UTZOLWHTJWSFIY-LLVKDONJSA-N 2 0 252.427 2.887 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423209111 277268796 /nfs/dbraw/zinc/26/87/96/277268796.db2.gz ZQBKHPVGAWEOLE-IAQYHMDHSA-N 2 0 250.361 2.648 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423255970 277274857 /nfs/dbraw/zinc/27/48/57/277274857.db2.gz BCVRAXDTCWMIAB-DGCLKSJQSA-N 2 0 250.386 2.738 20 0 CFADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248440201 277276277 /nfs/dbraw/zinc/27/62/77/277276277.db2.gz UPJLIUMMWVBJDG-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423270329 277282719 /nfs/dbraw/zinc/28/27/19/277282719.db2.gz HSPCACOBDQDECJ-XHDPSFHLSA-N 2 0 250.361 2.648 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423344220 277334249 /nfs/dbraw/zinc/33/42/49/277334249.db2.gz OCABOEMSSJEVLY-XIRDDKMYSA-N 2 0 276.424 2.742 20 0 CFADRP CC(C)C1CCC([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000174355012 277341238 /nfs/dbraw/zinc/34/12/38/277341238.db2.gz KSRBJSCAGWXRTG-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424265878 277351676 /nfs/dbraw/zinc/35/16/76/277351676.db2.gz KIWBHXUFEWXKJP-ZOFXXKQRSA-N 2 0 280.456 2.512 20 0 CFADRP COc1cc(C)nc(C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352546173 277374778 /nfs/dbraw/zinc/37/47/78/277374778.db2.gz QSULAJSWHPHMPX-UHFFFAOYSA-N 2 0 291.439 2.740 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000341880419 277386646 /nfs/dbraw/zinc/38/66/46/277386646.db2.gz WGOSPBCCNWEYMT-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000474723817 277451080 /nfs/dbraw/zinc/45/10/80/277451080.db2.gz SQHXQIVGDZIXQH-OKZBNKHCSA-N 2 0 295.515 2.817 20 0 CFADRP COC1(C[NH2+]CCC2CC[NH+](C)CC2)CCCCC1 ZINC000319492330 277468103 /nfs/dbraw/zinc/46/81/03/277468103.db2.gz ZPPNDKNOBUYJFT-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C1=C(CC[NH2+]C2C3CC4CC(C3)CC2C4)CC[NH2+]C1 ZINC000423541893 277756860 /nfs/dbraw/zinc/75/68/60/277756860.db2.gz AFUPUEWFQAVILT-UHFFFAOYSA-N 2 0 260.425 2.711 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349505 277847918 /nfs/dbraw/zinc/84/79/18/277847918.db2.gz VVCLBNOTMHXIDZ-DOTOQJQBSA-N 2 0 292.398 2.801 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423334864 277951015 /nfs/dbraw/zinc/95/10/15/277951015.db2.gz GCGKLIRMWNPVSS-QGZVFWFLSA-N 2 0 272.392 2.582 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)CC[NH2+]1 ZINC000423377747 277985968 /nfs/dbraw/zinc/98/59/68/277985968.db2.gz KIQDXAKMUOMWTM-UHOFOFEASA-N 2 0 259.397 2.653 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423280718 277990855 /nfs/dbraw/zinc/99/08/55/277990855.db2.gz ULUFYKUBBFFBKO-IAOVAPTHSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000134091958 278002196 /nfs/dbraw/zinc/00/21/96/278002196.db2.gz DQEXJYRBSBARNN-VVLHAWIVSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246801456 278002474 /nfs/dbraw/zinc/00/24/74/278002474.db2.gz ACDZZCIGLYUFTE-MHORFTMASA-N 3 0 295.515 2.817 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000229302057 278026210 /nfs/dbraw/zinc/02/62/10/278026210.db2.gz KVRHUXUHNGXMOD-OAGGEKHMSA-N 2 0 280.456 2.941 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C2 ZINC000414906688 278032222 /nfs/dbraw/zinc/03/22/22/278032222.db2.gz MKYYUDMGZGMYKC-CRAIPNDOSA-N 2 0 288.435 2.532 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C2 ZINC000425915312 278034409 /nfs/dbraw/zinc/03/44/09/278034409.db2.gz JOBMQHNOHJQIHA-INIZCTEOSA-N 2 0 290.451 2.872 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C2 ZINC000414823694 278034737 /nfs/dbraw/zinc/03/47/37/278034737.db2.gz PESLEJLSPOUVCF-IMJJTQAJSA-N 2 0 288.435 2.530 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C2 ZINC000414811008 278035634 /nfs/dbraw/zinc/03/56/34/278035634.db2.gz VVRVQJPCWOZNRJ-VYDXJSESSA-N 2 0 288.435 2.660 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC[NH+](C)CC1 ZINC000353610822 278126145 /nfs/dbraw/zinc/12/61/45/278126145.db2.gz NXKHPISJYJUTKX-GJZGRUSLSA-N 2 0 282.497 2.982 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000358777858 278146871 /nfs/dbraw/zinc/14/68/71/278146871.db2.gz SSXSXDRKNPWINS-LSDHHAIUSA-N 2 0 268.470 2.877 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423480829 278204822 /nfs/dbraw/zinc/20/48/22/278204822.db2.gz WCRVMBAQJJCMFO-JGGQBBKZSA-N 2 0 289.423 2.813 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CCOCC1)C[NH+]1CCCCC1 ZINC000125659815 278210167 /nfs/dbraw/zinc/21/01/67/278210167.db2.gz PWYZWDLVRMEPSF-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423067586 278226455 /nfs/dbraw/zinc/22/64/55/278226455.db2.gz ZVFJGNBHPNDJAU-RLFYNMQTSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423042301 278226659 /nfs/dbraw/zinc/22/66/59/278226659.db2.gz YZHSFGMOFXUEIO-RKLWJJNISA-N 2 0 280.387 2.761 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CC12CCSCC2 ZINC000423541824 278227312 /nfs/dbraw/zinc/22/73/12/278227312.db2.gz FTACNTUPZNMOSD-QWHCGFSZSA-N 2 0 256.459 2.627 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000423168284 278227429 /nfs/dbraw/zinc/22/74/29/278227429.db2.gz UEJCTRJNDHKQAE-QWRGUYRKSA-N 2 0 267.442 2.800 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423445538 278227572 /nfs/dbraw/zinc/22/75/72/278227572.db2.gz YAOCCOCINXBIRI-WFASDCNBSA-N 2 0 262.397 2.877 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423308527 278245688 /nfs/dbraw/zinc/24/56/88/278245688.db2.gz OQSRXHZHPBTWPX-NHYWBVRUSA-N 2 0 266.816 2.846 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCOC1 ZINC000356860372 278254143 /nfs/dbraw/zinc/25/41/43/278254143.db2.gz YVSBYIZQKMIPAG-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000133124177 278254531 /nfs/dbraw/zinc/25/45/31/278254531.db2.gz MONUEDPRYLKNBD-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCC1 ZINC000358295842 278254555 /nfs/dbraw/zinc/25/45/55/278254555.db2.gz KTAVQCQAIHOECX-IAOVAPTHSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)C1C[NH2+]C1 ZINC000423174891 278256171 /nfs/dbraw/zinc/25/61/71/278256171.db2.gz CXZFHMYDFJJGRF-NSHDSACASA-N 2 0 280.362 2.584 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000423171570 278262804 /nfs/dbraw/zinc/26/28/04/278262804.db2.gz OZXHAHUOUZPFNI-APHBMKBZSA-N 2 0 258.409 2.624 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000093515521 278295006 /nfs/dbraw/zinc/29/50/06/278295006.db2.gz WPLLASUCHGRDPD-GOEBONIOSA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423124333 278297223 /nfs/dbraw/zinc/29/72/23/278297223.db2.gz GEZGPUKRJZFQKS-QLFBSQMISA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000415013546 278315728 /nfs/dbraw/zinc/31/57/28/278315728.db2.gz KWYGXHQZSBZFTK-OLZOCXBDSA-N 2 0 295.858 2.630 20 0 CFADRP CC(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335425359 278327332 /nfs/dbraw/zinc/32/73/32/278327332.db2.gz KCQITQUOJNXMPF-WMLDXEAASA-N 2 0 274.408 2.878 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1c(C)noc1C ZINC000415093606 288034206 /nfs/dbraw/zinc/03/42/06/288034206.db2.gz VWMXOHZBNLNYAY-RUXDESIVSA-N 2 0 265.401 2.850 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)OCCCO2 ZINC000051693590 278334573 /nfs/dbraw/zinc/33/45/73/278334573.db2.gz QRUYGRTXWRLPAN-LRVUVFPRSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414782093 278334633 /nfs/dbraw/zinc/33/46/33/278334633.db2.gz WXZPLAVVJXOIMZ-SVGFKBNWSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423223410 278348239 /nfs/dbraw/zinc/34/82/39/278348239.db2.gz GJXPAEKDWPWVOY-VHSXEESVSA-N 2 0 276.302 2.973 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCC3)CC2)C1 ZINC000414876979 278352280 /nfs/dbraw/zinc/35/22/80/278352280.db2.gz MCZJWTVQIVGPNS-HOCLYGCPSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000423204939 278364961 /nfs/dbraw/zinc/36/49/61/278364961.db2.gz AVWWLYUPCUIJSM-QLFBSQMISA-N 2 0 275.440 2.791 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000423386158 278373413 /nfs/dbraw/zinc/37/34/13/278373413.db2.gz RJJPYRVADAICLZ-UMVBOHGHSA-N 2 0 290.407 2.639 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000215891092 278388050 /nfs/dbraw/zinc/38/80/50/278388050.db2.gz OQEHCGFREYXEHS-OAHLLOKOSA-N 2 0 289.423 2.598 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000415120976 278536688 /nfs/dbraw/zinc/53/66/88/278536688.db2.gz YLDLNKXVTHILFC-ABHNRTSZSA-N 3 0 293.499 2.619 20 0 CFADRP CC1CC[NH+](CC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000361770298 278539144 /nfs/dbraw/zinc/53/91/44/278539144.db2.gz WMIUAWHDCCKUIL-ZWKOTPCHSA-N 2 0 294.483 2.734 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422716567 278621618 /nfs/dbraw/zinc/62/16/18/278621618.db2.gz UJTUFYDJCIEHPI-SWLSCSKDSA-N 2 0 264.388 2.820 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H](C)[C@@H]1OC ZINC000344103232 278634452 /nfs/dbraw/zinc/63/44/52/278634452.db2.gz OGAJJHOZTJNEAO-IMJJTQAJSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422951511 288069284 /nfs/dbraw/zinc/06/92/84/288069284.db2.gz YVGGZHGPBKTBBM-SOUVJXGZSA-N 2 0 290.407 2.626 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000423405812 288070583 /nfs/dbraw/zinc/07/05/83/288070583.db2.gz TZEJIZKCFPSAOI-BYCMXARLSA-N 2 0 250.361 2.864 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423272680 533691179 /nfs/dbraw/zinc/69/11/79/533691179.db2.gz KAVXAHDSRICWTP-YCPHGPKFSA-N 2 0 289.423 2.511 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194026914 278802894 /nfs/dbraw/zinc/80/28/94/278802894.db2.gz AXKXUEXYNNWJSF-BRWVUGGUSA-N 2 0 292.467 2.656 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)[C@H]1CCCO1 ZINC000415081737 288078457 /nfs/dbraw/zinc/07/84/57/288078457.db2.gz NHTGRFMJUVMEKD-LVQVYYBASA-N 2 0 268.445 2.844 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422697971 278845119 /nfs/dbraw/zinc/84/51/19/278845119.db2.gz WZQACTKIRPIDCY-WMLDXEAASA-N 2 0 276.424 2.830 20 0 CFADRP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353948075 278852920 /nfs/dbraw/zinc/85/29/20/278852920.db2.gz RGNPDRUZFFBSFX-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193963626 278870051 /nfs/dbraw/zinc/87/00/51/278870051.db2.gz OEVTYRWTLGLIFU-IXDOHACOSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423503998 279013602 /nfs/dbraw/zinc/01/36/02/279013602.db2.gz FROSJYSFRNEEOC-YLGOIMDESA-N 2 0 276.399 2.976 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423320646 279023469 /nfs/dbraw/zinc/02/34/69/279023469.db2.gz FTKOGLVMXBGXHY-XOKHGSTOSA-N 2 0 258.409 2.899 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152415222 279023490 /nfs/dbraw/zinc/02/34/90/279023490.db2.gz XOJFXTBFMPHNJD-GLJUWKHASA-N 2 0 270.420 2.994 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335017350 279061454 /nfs/dbraw/zinc/06/14/54/279061454.db2.gz JEULDCRENYTRHG-JJDCNZKSSA-N 2 0 278.371 2.755 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335016687 279063044 /nfs/dbraw/zinc/06/30/44/279063044.db2.gz GFAZXVLXISGULE-HCWXADSOSA-N 2 0 264.344 2.507 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000374064906 279094547 /nfs/dbraw/zinc/09/45/47/279094547.db2.gz ALSGYSIVWFSLTR-ROUUACIJSA-N 2 0 295.515 2.628 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000162396375 279100242 /nfs/dbraw/zinc/10/02/42/279100242.db2.gz OGVMOBNHKFRTSY-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488231 279100258 /nfs/dbraw/zinc/10/02/58/279100258.db2.gz AGIGKBBDWQXQOC-YESZJQIVSA-N 2 0 281.488 2.619 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337381259 279100344 /nfs/dbraw/zinc/10/03/44/279100344.db2.gz DBOZPSMOWOSTCX-STQMWFEESA-N 2 0 278.387 2.858 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000162396501 279100787 /nfs/dbraw/zinc/10/07/87/279100787.db2.gz OGVMOBNHKFRTSY-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841733 279122580 /nfs/dbraw/zinc/12/25/80/279122580.db2.gz WSWUAPFUIFGSRU-ZGRYLRDCSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300832 279130297 /nfs/dbraw/zinc/13/02/97/279130297.db2.gz KTBBKICSXDKAIE-VXGBXAGGSA-N 2 0 280.362 2.884 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000343576954 279138322 /nfs/dbraw/zinc/13/83/22/279138322.db2.gz TWOCAWPWDHTWLT-YJBOKZPZSA-N 2 0 289.467 2.568 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC[NH2+]C1 ZINC000261691514 279159461 /nfs/dbraw/zinc/15/94/61/279159461.db2.gz BFGNYVWLTHKJHG-DLBZAZTESA-N 2 0 273.424 2.563 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000334584814 279176067 /nfs/dbraw/zinc/17/60/67/279176067.db2.gz IYGGIMPNOXUHAX-IAGOWNOFSA-N 2 0 258.409 2.920 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000414698602 279179461 /nfs/dbraw/zinc/17/94/61/279179461.db2.gz SBFKIJYBECVLRH-MSOLQXFVSA-N 2 0 295.515 2.948 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000422817652 279255267 /nfs/dbraw/zinc/25/52/67/279255267.db2.gz DRGAFRYEJZYGNB-BMFZPTHFSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423465580 279256176 /nfs/dbraw/zinc/25/61/76/279256176.db2.gz WPZIYYCCORIWDM-NOZJJQNGSA-N 2 0 254.324 2.669 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235434266 279258077 /nfs/dbraw/zinc/25/80/77/279258077.db2.gz VFFYSXVORPXRQL-MLGOLLRUSA-N 2 0 262.397 2.699 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000474706339 279312902 /nfs/dbraw/zinc/31/29/02/279312902.db2.gz AJENJCUFMFDCCK-IXDOHACOSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cccnc1 ZINC000093515648 279367216 /nfs/dbraw/zinc/36/72/16/279367216.db2.gz JJFZUZYANUIWHO-ZBFHGGJFSA-N 2 0 261.413 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(OC)CCC2)C[C@@H]1C ZINC000339010275 279397459 /nfs/dbraw/zinc/39/74/59/279397459.db2.gz JBACLMUGPDCGQM-LSDHHAIUSA-N 2 0 268.445 2.750 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423544801 279454908 /nfs/dbraw/zinc/45/49/08/279454908.db2.gz IYBIZANAQGKCMI-RBZJEDDUSA-N 2 0 268.420 2.883 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423244965 279472446 /nfs/dbraw/zinc/47/24/46/279472446.db2.gz IEGRBEPYVQTUFA-NWDGAFQWSA-N 2 0 279.453 2.672 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000423221776 279537693 /nfs/dbraw/zinc/53/76/93/279537693.db2.gz YBLCVKRTCPSZKJ-ZENOOKHLSA-N 2 0 274.408 2.747 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000422932475 279548351 /nfs/dbraw/zinc/54/83/51/279548351.db2.gz FXGKZTIQMQRBLO-GHJWDPDVSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1C ZINC000166317600 280008621 /nfs/dbraw/zinc/00/86/21/280008621.db2.gz PNFYBRWIBFMUAT-DOTOQJQBSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000127203303 280009695 /nfs/dbraw/zinc/00/96/95/280009695.db2.gz KCXJCKGIHWHINU-GOEBONIOSA-N 2 0 258.409 2.791 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCc2ccccc21 ZINC000423014983 280158103 /nfs/dbraw/zinc/15/81/03/280158103.db2.gz JTIKODSLTORDAE-BRWVUGGUSA-N 2 0 258.409 2.750 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414739389 280173517 /nfs/dbraw/zinc/17/35/17/280173517.db2.gz PXFVTVNMVCWIMS-ATLSCFEFSA-N 2 0 270.420 2.648 20 0 CFADRP CC(C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968318 280254191 /nfs/dbraw/zinc/25/41/91/280254191.db2.gz WIGDGBALZJGHAB-BBWFWOEESA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccnc1 ZINC000422832648 280254678 /nfs/dbraw/zinc/25/46/78/280254678.db2.gz LHYHLYNHEJRBOG-BHYGNILZSA-N 2 0 275.440 2.928 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000355109308 280265253 /nfs/dbraw/zinc/26/52/53/280265253.db2.gz AWVFHXAIZPLTHM-BZZMCLGOSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336846361 280270954 /nfs/dbraw/zinc/27/09/54/280270954.db2.gz NCGRXQPLFRBQCH-SJORKVTESA-N 2 0 292.471 2.762 20 0 CFADRP CC(C)[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423535396 280324418 /nfs/dbraw/zinc/32/44/18/280324418.db2.gz CXLXRWLMGCUUBW-INIZCTEOSA-N 2 0 277.387 2.817 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000348061171 280325917 /nfs/dbraw/zinc/32/59/17/280325917.db2.gz IQQOHKQPUDWAJV-FPCVCCKLSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423306056 280326557 /nfs/dbraw/zinc/32/65/57/280326557.db2.gz LCHMUFFKKODNNO-YGRLFVJLSA-N 2 0 256.340 2.846 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000423468149 280327109 /nfs/dbraw/zinc/32/71/09/280327109.db2.gz JLLGKKNIKCFRIK-IMJJTQAJSA-N 2 0 261.413 2.886 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000423554881 280333469 /nfs/dbraw/zinc/33/34/69/280333469.db2.gz XFWBBZXUPSFQNP-XBVQOTNRSA-N 2 0 273.424 2.756 20 0 CFADRP Cn1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000128068307 280672970 /nfs/dbraw/zinc/67/29/70/280672970.db2.gz ADIHPYSZXAGSJO-UHFFFAOYSA-N 2 0 275.371 2.516 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)CCC2CC2)CC1 ZINC000186310346 280845503 /nfs/dbraw/zinc/84/55/03/280845503.db2.gz NHDBCGCRTOGFRQ-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000127666063 280940332 /nfs/dbraw/zinc/94/03/32/280940332.db2.gz UCMOHMCMTYFYPF-IAGOWNOFSA-N 2 0 289.467 2.590 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000246916769 281000622 /nfs/dbraw/zinc/00/06/22/281000622.db2.gz GBUUVTPKIZKEFI-XMTFNYHQSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000246916741 281000835 /nfs/dbraw/zinc/00/08/35/281000835.db2.gz GBUUVTPKIZKEFI-XDNAFOTISA-N 2 0 295.515 2.673 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000247032690 281003343 /nfs/dbraw/zinc/00/33/43/281003343.db2.gz MGLGESSEHBIFAM-ULQDDVLXSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000247037357 281003769 /nfs/dbraw/zinc/00/37/69/281003769.db2.gz NZEIQIDDALGQJS-BBRMVZONSA-N 2 0 294.414 2.697 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000247037369 281003841 /nfs/dbraw/zinc/00/38/41/281003841.db2.gz NZEIQIDDALGQJS-XJKSGUPXSA-N 2 0 294.414 2.697 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CC[N@H+](C)[C@H](C)C2)([NH+](C)C)C1 ZINC000247067610 281004614 /nfs/dbraw/zinc/00/46/14/281004614.db2.gz ODHAJKPVMOEKKK-NCOADZHNSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)sc1C ZINC000247225668 281007498 /nfs/dbraw/zinc/00/74/98/281007498.db2.gz WQUZXLDFPRVAPP-JTNHKYCSSA-N 2 0 281.469 2.621 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000247929074 281016931 /nfs/dbraw/zinc/01/69/31/281016931.db2.gz BWCWKGNPULCBPI-RDJZCZTQSA-N 2 0 290.451 2.866 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248874026 281038271 /nfs/dbraw/zinc/03/82/71/281038271.db2.gz PXRLNHKBVQZRPF-OWCLPIDISA-N 2 0 282.472 2.638 20 0 CFADRP COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)ccc1C ZINC000248993238 281043924 /nfs/dbraw/zinc/04/39/24/281043924.db2.gz ODKOZNFRFNOMMJ-HOCLYGCPSA-N 2 0 276.424 2.918 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000249426307 281057546 /nfs/dbraw/zinc/05/75/46/281057546.db2.gz YGBUMESUJFUPPE-IRXDYDNUSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000181739114 281069084 /nfs/dbraw/zinc/06/90/84/281069084.db2.gz DAXJIOHBACEJEO-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871041 281069896 /nfs/dbraw/zinc/06/98/96/281069896.db2.gz AVMKYKKHRFGMKW-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000252696361 281077318 /nfs/dbraw/zinc/07/73/18/281077318.db2.gz ZIRSYZGWIFLUKA-FUHWJXTLSA-N 2 0 272.436 2.939 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423256452 281092521 /nfs/dbraw/zinc/09/25/21/281092521.db2.gz FBKVBUCUMCIFHP-YOEHRIQHSA-N 2 0 258.409 2.962 20 0 CFADRP Cc1ccsc1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000259037731 281111702 /nfs/dbraw/zinc/11/17/02/281111702.db2.gz PIIZZJIRPVDCMR-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000268951793 281117691 /nfs/dbraw/zinc/11/76/91/281117691.db2.gz VLJUGZCREFHCCI-PBHICJAKSA-N 2 0 294.414 2.713 20 0 CFADRP Cc1cccc(C)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000271438781 281121293 /nfs/dbraw/zinc/12/12/93/281121293.db2.gz PKDJTIFKCIQGCY-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC(C)(C)O ZINC000274782523 281125056 /nfs/dbraw/zinc/12/50/56/281125056.db2.gz VVJVGTCVZHXBKX-UHFFFAOYSA-N 2 0 292.467 2.895 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000335039276 281133472 /nfs/dbraw/zinc/13/34/72/281133472.db2.gz BXQJUBGMJZJIKF-XUJLQICISA-N 2 0 274.408 2.844 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CCC[C@H](C[NH3+])C3)c2c1 ZINC000334989916 281169420 /nfs/dbraw/zinc/16/94/20/281169420.db2.gz GVYOALPVMBUCTI-CYBMUJFWSA-N 2 0 255.365 2.718 20 0 CFADRP Cc1ccc2[nH+]ccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2c1 ZINC000302852748 281171641 /nfs/dbraw/zinc/17/16/41/281171641.db2.gz JOGZNPNNWHWJHO-OKILXGFUSA-N 2 0 267.376 2.541 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000396964048 281199248 /nfs/dbraw/zinc/19/92/48/281199248.db2.gz JOAGNWCDRHQQED-HBNTYKKESA-N 2 0 252.324 2.505 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000396934908 281199279 /nfs/dbraw/zinc/19/92/79/281199279.db2.gz FXDBGFWREFRBRF-GARJFASQSA-N 2 0 252.324 2.647 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422930334 281222362 /nfs/dbraw/zinc/22/23/62/281222362.db2.gz SXYWOJOQPUADDH-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422929377 281222501 /nfs/dbraw/zinc/22/25/01/281222501.db2.gz PPZAJQNRFBLNPD-QFBILLFUSA-N 2 0 298.430 2.922 20 0 CFADRP CC1(C)CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423009799 281223127 /nfs/dbraw/zinc/22/31/27/281223127.db2.gz DXVWNOHHPXBEGL-GVDBMIGSSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423010716 281223182 /nfs/dbraw/zinc/22/31/82/281223182.db2.gz HGHJBGMVFXSQFU-QWHCGFSZSA-N 2 0 288.395 2.557 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423009802 281223320 /nfs/dbraw/zinc/22/33/20/281223320.db2.gz DYOKHMYKRVVCLN-FGTMMUONSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423011352 281223407 /nfs/dbraw/zinc/22/34/07/281223407.db2.gz ISQJMYURKMFCQI-KBXCAEBGSA-N 2 0 298.434 2.565 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423773434 281224418 /nfs/dbraw/zinc/22/44/18/281224418.db2.gz MPJUUWSTEJDUBT-HOCLYGCPSA-N 2 0 297.487 2.521 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000423772726 281224774 /nfs/dbraw/zinc/22/47/74/281224774.db2.gz LKXCRPJCOHLLGH-XHSDSOJGSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424374121 281227630 /nfs/dbraw/zinc/22/76/30/281227630.db2.gz YNPUCKHEWMYAOE-DDBAPUKQSA-N 2 0 293.499 2.889 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])CCC2 ZINC000424373520 281227793 /nfs/dbraw/zinc/22/77/93/281227793.db2.gz JOLPKMZTFBSVEO-BRWVUGGUSA-N 2 0 274.408 2.932 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000435392552 281235134 /nfs/dbraw/zinc/23/51/34/281235134.db2.gz XDQGNAOIYCHFLZ-BPUTZDHNSA-N 2 0 276.449 2.968 20 0 CFADRP Cc1cccc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000334980921 281254969 /nfs/dbraw/zinc/25/49/69/281254969.db2.gz QXDGBJRJSDBEPQ-RDJZCZTQSA-N 2 0 288.435 2.743 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1(CO)CCCC1 ZINC000459545540 281268715 /nfs/dbraw/zinc/26/87/15/281268715.db2.gz SGCBFXSEEDLXLT-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]CC2(C)CC2)cc1F ZINC000515543245 281294619 /nfs/dbraw/zinc/29/46/19/281294619.db2.gz DWYUIKRHNDPVIX-UHFFFAOYSA-N 2 0 250.361 2.777 20 0 CFADRP C[C@H]1CCN(CC[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000525288021 281313457 /nfs/dbraw/zinc/31/34/57/281313457.db2.gz JHSZYSRTBCEQNG-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527652498 281337051 /nfs/dbraw/zinc/33/70/51/281337051.db2.gz DYGHBCIHZXYYPN-KCXAZCMYSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527669818 281339476 /nfs/dbraw/zinc/33/94/76/281339476.db2.gz JCMRKLHLOBFBLE-TXUJKZCJSA-N 2 0 250.430 2.883 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527689977 281341610 /nfs/dbraw/zinc/34/16/10/281341610.db2.gz GQRVPLLIDVZGOU-SNPRPXQTSA-N 2 0 250.430 2.743 20 0 CFADRP C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH+]1C1CCCCC1 ZINC000527751052 281346425 /nfs/dbraw/zinc/34/64/25/281346425.db2.gz FJIWQGRFVOJPDZ-BPQIPLTHSA-N 2 0 291.483 2.610 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2COC2)CC1 ZINC000528025041 281348246 /nfs/dbraw/zinc/34/82/46/281348246.db2.gz GFOBLLJZBRTJAN-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000537971804 281547864 /nfs/dbraw/zinc/54/78/64/281547864.db2.gz HXJIJPBDYHKUMK-BFYDXBDKSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000542682993 281631162 /nfs/dbraw/zinc/63/11/62/281631162.db2.gz YVKBXUHDGVYFGM-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000542790768 281633925 /nfs/dbraw/zinc/63/39/25/281633925.db2.gz OKCHFWOPGFQHHM-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000542800658 281634397 /nfs/dbraw/zinc/63/43/97/281634397.db2.gz VBJLFTHBQMAVCW-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP Cc1sccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000559303862 282004843 /nfs/dbraw/zinc/00/48/43/282004843.db2.gz HKLPJCMYLJIWNQ-UHFFFAOYSA-N 2 0 261.394 2.879 20 0 CFADRP C[N@H+]1CC=C(CNc2ncnc3[nH]c4ccccc4c32)CC1 ZINC000560212931 282019010 /nfs/dbraw/zinc/01/90/10/282019010.db2.gz DXRPROHURCLOOE-UHFFFAOYSA-N 2 0 293.374 2.785 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000560495541 282031082 /nfs/dbraw/zinc/03/10/82/282031082.db2.gz VTOWUKSHDGQRJZ-PMUGQKEBSA-N 2 0 280.362 2.909 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)o1 ZINC000560523042 282032595 /nfs/dbraw/zinc/03/25/95/282032595.db2.gz ZSWNYIXYURWSHT-ARFHVFGLSA-N 2 0 262.397 2.593 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000560583298 282035351 /nfs/dbraw/zinc/03/53/51/282035351.db2.gz XHNADIOIGXJUOQ-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000560896822 282043754 /nfs/dbraw/zinc/04/37/54/282043754.db2.gz BRRJQIDMQAJKGR-NEPJUHHUSA-N 2 0 253.415 2.526 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000560908379 282043912 /nfs/dbraw/zinc/04/39/12/282043912.db2.gz GKQHWFOXZVUPCV-YQEWQEHLSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359201332 288393489 /nfs/dbraw/zinc/39/34/89/288393489.db2.gz ZXKBMFFMGWZIEV-QAPCUYQASA-N 2 0 288.435 2.838 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291058357 289297540 /nfs/dbraw/zinc/29/75/40/289297540.db2.gz CTUOKWUKZSTULZ-BRWVUGGUSA-N 2 0 258.409 2.959 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000423430280 292733776 /nfs/dbraw/zinc/73/37/76/292733776.db2.gz KWALGDAERXYEMM-NEPJUHHUSA-N 2 0 299.484 2.809 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422706094 289366094 /nfs/dbraw/zinc/36/60/94/289366094.db2.gz DISYGIWRWHNXGO-IXDOHACOSA-N 2 0 293.430 2.678 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000415020336 289459614 /nfs/dbraw/zinc/45/96/14/289459614.db2.gz XCYYQWQKIWQMEU-GFCCVEGCSA-N 2 0 295.393 2.510 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000153898753 289879501 /nfs/dbraw/zinc/87/95/01/289879501.db2.gz ABVIBCHHKSRVPP-BBWFWOEESA-N 2 0 288.435 2.651 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154290102 289890997 /nfs/dbraw/zinc/89/09/97/289890997.db2.gz QYRWDNPDLIIITF-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccccn2)CC1 ZINC000159007339 289985737 /nfs/dbraw/zinc/98/57/37/289985737.db2.gz KGDBVRBWMDDQQM-CQSZACIVSA-N 2 0 261.413 2.854 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@@H]2CC=CCC2)CC1 ZINC000538421077 290036742 /nfs/dbraw/zinc/03/67/42/290036742.db2.gz HIRUBDIVMBRZGW-OAHLLOKOSA-N 2 0 286.423 2.602 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CCSCC1 ZINC000423269862 290044187 /nfs/dbraw/zinc/04/41/87/290044187.db2.gz FZWKXDNVVOPBOG-UBHSHLNASA-N 2 0 256.459 2.625 20 0 CFADRP CS[C@@H]1CC[N@H+](CC[C@H](C)[NH+]2CC[C@H](SC)C2)C1 ZINC000562548226 290054351 /nfs/dbraw/zinc/05/43/51/290054351.db2.gz OWOQGBVLGZDBGM-MJBXVCDLSA-N 2 0 288.526 2.640 20 0 CFADRP CCC(C)(C)OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562784092 290075585 /nfs/dbraw/zinc/07/55/85/290075585.db2.gz CTOBBJSOVCEYGZ-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC23CCC(CC2)C3)CC1 ZINC000450363456 290084299 /nfs/dbraw/zinc/08/42/99/290084299.db2.gz JHZJORLSPWJUIZ-HJOIGYKYSA-N 2 0 294.483 2.591 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1F ZINC000563135851 290107450 /nfs/dbraw/zinc/10/74/50/290107450.db2.gz VCIFHYKIMCKKIJ-RWMBFGLXSA-N 2 0 282.403 2.728 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000563135964 290107474 /nfs/dbraw/zinc/10/74/74/290107474.db2.gz PSOMYSFSVZZWJS-ZJUUUORDSA-N 2 0 255.431 2.656 20 0 CFADRP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC12CCCCC2 ZINC000563360304 290137605 /nfs/dbraw/zinc/13/76/05/290137605.db2.gz GHRBCVDFZDGLLK-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000563423864 290149262 /nfs/dbraw/zinc/14/92/62/290149262.db2.gz PJJYXNNQNWRXOL-OLZOCXBDSA-N 2 0 264.388 2.963 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000563693803 290168896 /nfs/dbraw/zinc/16/88/96/290168896.db2.gz RISPVBBQHVBJSB-RCCFBDPRSA-N 3 0 295.515 2.961 20 0 CFADRP COc1ccc2c(c1)CCCN(C[C@@H]([NH3+])CC(C)C)C2 ZINC000564186793 290195591 /nfs/dbraw/zinc/19/55/91/290195591.db2.gz DDAWOBZRCPTYQG-INIZCTEOSA-N 2 0 276.424 2.817 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000564203469 290196400 /nfs/dbraw/zinc/19/64/00/290196400.db2.gz GEGKHMJPPIUTGN-CRAIPNDOSA-N 2 0 290.451 2.615 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000564469707 290211019 /nfs/dbraw/zinc/21/10/19/290211019.db2.gz HVXQAOZKIJRMKT-RISCZKNCSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2nc(C3CC3)cs2)CC1 ZINC000564713062 290225975 /nfs/dbraw/zinc/22/59/75/290225975.db2.gz DDGQSMZGSWYBMJ-UHFFFAOYSA-N 2 0 265.426 2.628 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC23CCOCC3)CCCCCC1 ZINC000564822244 290235693 /nfs/dbraw/zinc/23/56/93/290235693.db2.gz JOARVHWKCOMWQR-AWEZNQCLSA-N 2 0 266.429 2.587 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000564822593 290236479 /nfs/dbraw/zinc/23/64/79/290236479.db2.gz HSMSFDALFNPPHB-IUODEOHRSA-N 2 0 268.351 2.614 20 0 CFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)CC1CCCC1 ZINC000564849173 290239725 /nfs/dbraw/zinc/23/97/25/290239725.db2.gz JJNFMXRXEZRRFR-GOSISDBHSA-N 2 0 294.483 2.924 20 0 CFADRP CN(Cc1cccc(-c2ccncc2)c1)[C@@H]1CC[NH2+]C1 ZINC000564968756 290252954 /nfs/dbraw/zinc/25/29/54/290252954.db2.gz BKRZXHZIXKFEMN-QGZVFWFLSA-N 2 0 267.376 2.542 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973349 290254404 /nfs/dbraw/zinc/25/44/04/290254404.db2.gz BIPKSUJBBXBFET-RHSMWYFYSA-N 3 0 275.440 2.546 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973836 290254441 /nfs/dbraw/zinc/25/44/41/290254441.db2.gz WSCNTCFFBPBMGM-GOSISDBHSA-N 2 0 288.435 2.833 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000564988450 290255367 /nfs/dbraw/zinc/25/53/67/290255367.db2.gz NOHONKGDVNKDOQ-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226282 290285787 /nfs/dbraw/zinc/28/57/87/290285787.db2.gz LXXWHXXWNOVNAB-MSOLQXFVSA-N 3 0 287.451 2.642 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000565430113 290301458 /nfs/dbraw/zinc/30/14/58/290301458.db2.gz CEUPZNFKEXNVBT-TWMKSMIVSA-N 2 0 281.488 2.604 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000565659229 290316050 /nfs/dbraw/zinc/31/60/50/290316050.db2.gz VHXACQXMALWDII-RDJZCZTQSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335036036 290339551 /nfs/dbraw/zinc/33/95/51/290339551.db2.gz IKTBLNKCWKKWMP-ZGRYLRDCSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000193130901 290340044 /nfs/dbraw/zinc/34/00/44/290340044.db2.gz GQVTWVWTEOJOCF-DOTOQJQBSA-N 2 0 295.515 2.674 20 0 CFADRP c1ccc(COCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566010246 290340747 /nfs/dbraw/zinc/34/07/47/290340747.db2.gz GEPMSCKYXOQHMJ-SFHVURJKSA-N 2 0 288.435 2.669 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000566480997 290392501 /nfs/dbraw/zinc/39/25/01/290392501.db2.gz DTFDUIVSGZSOFS-KGLIPLIRSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC000566484037 290393734 /nfs/dbraw/zinc/39/37/34/290393734.db2.gz ZHADBYPHALZKJV-OAGGEKHMSA-N 2 0 258.409 2.966 20 0 CFADRP Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000566483994 290393981 /nfs/dbraw/zinc/39/39/81/290393981.db2.gz YPKXXJLOBBEXKC-LSDHHAIUSA-N 2 0 261.413 2.738 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000566555783 290400518 /nfs/dbraw/zinc/40/05/18/290400518.db2.gz YHESTXFWDKMIJD-MRXNPFEDSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414901767 290413213 /nfs/dbraw/zinc/41/32/13/290413213.db2.gz GUUGFNHMEBUHGW-LZLYRXPVSA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566849978 290422107 /nfs/dbraw/zinc/42/21/07/290422107.db2.gz QEHSHIZRWWVSHP-CZUORRHYSA-N 2 0 289.423 2.620 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]1 ZINC000567029016 290433421 /nfs/dbraw/zinc/43/34/21/290433421.db2.gz LOCUDDJIZHBPNS-GWCFXTLKSA-N 2 0 254.324 2.854 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1(CC)CC ZINC000567259722 290451305 /nfs/dbraw/zinc/45/13/05/290451305.db2.gz VUJNPHMNXBVMJB-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000567638902 290479790 /nfs/dbraw/zinc/47/97/90/290479790.db2.gz UYVHNBDQOUHLOJ-GHMZBOCLSA-N 2 0 252.324 2.697 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH2+]C(C)C)CCC2 ZINC000567639459 290480535 /nfs/dbraw/zinc/48/05/35/290480535.db2.gz PVTYPOYJOBWGGY-GFCCVEGCSA-N 2 0 267.442 2.807 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000568381401 290550509 /nfs/dbraw/zinc/55/05/09/290550509.db2.gz GVYZZXFIDLMRGA-ZFWWWQNUSA-N 2 0 298.377 2.938 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000568880505 290575849 /nfs/dbraw/zinc/57/58/49/290575849.db2.gz KRQJALXIYBZTGY-UONOGXRCSA-N 2 0 285.391 2.603 20 0 CFADRP COC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000353402432 292833505 /nfs/dbraw/zinc/83/35/05/292833505.db2.gz IZYLZMWXJKHDHE-OFLPRAFFSA-N 2 0 276.424 2.837 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423173955 293095305 /nfs/dbraw/zinc/09/53/05/293095305.db2.gz ARJXTHKGQVAPEY-AWEZNQCLSA-N 2 0 270.461 2.936 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000234776227 293095548 /nfs/dbraw/zinc/09/55/48/293095548.db2.gz QPJQNROSMJWBLB-ZDUSSCGKSA-N 2 0 270.461 2.935 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422797365 293097596 /nfs/dbraw/zinc/09/75/96/293097596.db2.gz MFMRDXBBPYRHMA-JJXSEGSLSA-N 2 0 268.445 2.689 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000234700847 293098300 /nfs/dbraw/zinc/09/83/00/293098300.db2.gz LRUZHMSZOFSFOK-ZNMIVQPWSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CCCC1 ZINC000446886018 293147808 /nfs/dbraw/zinc/14/78/08/293147808.db2.gz DBWNOXKIBDTXRD-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP COCc1cc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)ccc1F ZINC000415090096 293299143 /nfs/dbraw/zinc/29/91/43/293299143.db2.gz ZUUXIXHSACVLSN-DOMZBBRYSA-N 2 0 280.387 2.592 20 0 CFADRP Clc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414970858 294104852 /nfs/dbraw/zinc/10/48/52/294104852.db2.gz KUTHUGGAZPOQOV-CQSZACIVSA-N 2 0 252.789 2.962 20 0 CFADRP CO[C@@]1(C)C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359196565 294158426 /nfs/dbraw/zinc/15/84/26/294158426.db2.gz UOGURQWNJSWYNL-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000359928185 294317324 /nfs/dbraw/zinc/31/73/24/294317324.db2.gz ZHFNOSDSPRMYEB-RBSFLKMASA-N 2 0 256.434 2.654 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000419208187 294368892 /nfs/dbraw/zinc/36/88/92/294368892.db2.gz QRZNSTIYRRDPJG-IAGOWNOFSA-N 2 0 282.472 2.998 20 0 CFADRP FC(F)(F)C1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000132131139 294660211 /nfs/dbraw/zinc/66/02/11/294660211.db2.gz HIBJDWNODUIDTH-VOMCLLRMSA-N 2 0 264.335 2.697 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423272717 295035952 /nfs/dbraw/zinc/03/59/52/295035952.db2.gz IJLBIQGISRPPMD-RCBQFDQVSA-N 2 0 292.398 2.929 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422781726 295105516 /nfs/dbraw/zinc/10/55/16/295105516.db2.gz IYXUUSSUCLCPJP-HZPDHXFCSA-N 2 0 276.424 2.796 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422776378 295105530 /nfs/dbraw/zinc/10/55/30/295105530.db2.gz AKAXCWKFRGRUKU-CVEARBPZSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000437776240 295231526 /nfs/dbraw/zinc/23/15/26/295231526.db2.gz OUFPZYBOKCLGNZ-GXTWGEPZSA-N 2 0 252.789 2.915 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000424380623 295237489 /nfs/dbraw/zinc/23/74/89/295237489.db2.gz XGRWADHARBFGLX-APHBMKBZSA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(C)c1OC ZINC000423388612 295238761 /nfs/dbraw/zinc/23/87/61/295238761.db2.gz UGYJLPUORODOFF-UBHSHLNASA-N 2 0 292.423 2.803 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422826566 295239041 /nfs/dbraw/zinc/23/90/41/295239041.db2.gz QXEWTEVZERUFQB-CHWSQXEVSA-N 2 0 262.397 2.529 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000422839570 295251041 /nfs/dbraw/zinc/25/10/41/295251041.db2.gz QPUAUWZJISRCTJ-WMLDXEAASA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000423104444 295267441 /nfs/dbraw/zinc/26/74/41/295267441.db2.gz BKNZDDHFRWEPGL-OLZOCXBDSA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893553 295270779 /nfs/dbraw/zinc/27/07/79/295270779.db2.gz AFCZQONVDCICLF-DOMZBBRYSA-N 2 0 262.372 2.574 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000423399759 295306576 /nfs/dbraw/zinc/30/65/76/295306576.db2.gz UYRUDUUVIKJCDV-UMVBOHGHSA-N 2 0 278.371 2.899 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000334867469 295319062 /nfs/dbraw/zinc/31/90/62/295319062.db2.gz WZXWEHKGJGCIRJ-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCCC2)c2ccccc21 ZINC000423023557 295324597 /nfs/dbraw/zinc/32/45/97/295324597.db2.gz JYZXMDUCZIGOAD-KBRIMQKVSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346838312 295348439 /nfs/dbraw/zinc/34/84/39/295348439.db2.gz WXSSSBXFKOAJIB-WTCAJVMKSA-N 2 0 286.419 2.768 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC2(C)C)CC[NH+](C)CC1 ZINC000353623655 295582925 /nfs/dbraw/zinc/58/29/25/295582925.db2.gz OQRNLOXJLQGPFD-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000261562628 297109680 /nfs/dbraw/zinc/10/96/80/297109680.db2.gz WLFFVVLVTVYING-RAIGVLPGSA-N 2 0 250.411 2.713 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422962259 298398670 /nfs/dbraw/zinc/39/86/70/298398670.db2.gz CJHHWRIOVLAJMC-GDBMZVCRSA-N 2 0 278.440 2.506 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000333339673 298877125 /nfs/dbraw/zinc/87/71/25/298877125.db2.gz XUBYOXWDTCFGCI-ZOBORPQBSA-N 2 0 267.417 2.591 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423096076 298886271 /nfs/dbraw/zinc/88/62/71/298886271.db2.gz NZMOFPAQJFLKFF-AEJSXWLSSA-N 2 0 286.217 2.621 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](CC3(C)CCC3)CC2)C[C@H](C)O1 ZINC000340277562 300252346 /nfs/dbraw/zinc/25/23/46/300252346.db2.gz JXSNTBWXRVFOCS-HOTGVXAUSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)cc[nH+]1 ZINC000373986924 301332778 /nfs/dbraw/zinc/33/27/78/301332778.db2.gz VJTURQVCRFPVGN-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423496371 301893057 /nfs/dbraw/zinc/89/30/57/301893057.db2.gz WQXFIWAXWQCQKN-LZWOXQAQSA-N 2 0 274.408 2.926 20 0 CFADRP Cc1cccc([C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094070689 302029807 /nfs/dbraw/zinc/02/98/07/302029807.db2.gz LUEXLPWCHVDPFM-HNNXBMFYSA-N 2 0 276.424 2.886 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149168 303128603 /nfs/dbraw/zinc/12/86/03/303128603.db2.gz XGZSSUYHCUOVBL-WBTNSWJXSA-N 2 0 290.382 2.723 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541517 303132115 /nfs/dbraw/zinc/13/21/15/303132115.db2.gz SBQZZJQQBKSTMG-INIZCTEOSA-N 2 0 290.382 2.939 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254712 303132881 /nfs/dbraw/zinc/13/28/81/303132881.db2.gz ZGQYSOVCTJTNHO-SWLSCSKDSA-N 2 0 278.371 2.629 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423458835 303365089 /nfs/dbraw/zinc/36/50/89/303365089.db2.gz KKFIEGNHKIOWKH-PVHYUMNYSA-N 2 0 292.467 2.687 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423336756 303375693 /nfs/dbraw/zinc/37/56/93/303375693.db2.gz VAULBCNIOKECJY-ZDUSSCGKSA-N 2 0 268.788 2.882 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422811515 303402184 /nfs/dbraw/zinc/40/21/84/303402184.db2.gz PBNDRGYSJFULDP-GOEBONIOSA-N 2 0 258.409 2.825 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000162727215 322367968 /nfs/dbraw/zinc/36/79/68/322367968.db2.gz ZSONYYAJNPFZCL-NVXWUHKLSA-N 2 0 290.451 2.866 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164624646 322383448 /nfs/dbraw/zinc/38/34/48/322383448.db2.gz GJBUDULUTJGJLP-KURKYZTESA-N 3 0 295.515 2.961 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000166141490 322386365 /nfs/dbraw/zinc/38/63/65/322386365.db2.gz XVFNIBVENVOAFX-GOSISDBHSA-N 2 0 290.451 2.930 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000569591854 322484143 /nfs/dbraw/zinc/48/41/43/322484143.db2.gz DIGJOKOSLXHLGU-CYBMUJFWSA-N 2 0 289.423 2.610 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCSCc2ccccc2F)C1 ZINC000570343823 322527986 /nfs/dbraw/zinc/52/79/86/322527986.db2.gz NBSCMXVIDAXUOV-KBPBESRZSA-N 2 0 282.428 2.918 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000570662952 322544336 /nfs/dbraw/zinc/54/43/36/322544336.db2.gz OIELYAMCZILTLP-GJZGRUSLSA-N 2 0 262.397 2.835 20 0 CFADRP OCC1([NH2+]CC2CC2)CC[NH+](CCC2=CCCCC2)CC1 ZINC000573093050 322643678 /nfs/dbraw/zinc/64/36/78/322643678.db2.gz BGGPZOOSEIHCHC-UHFFFAOYSA-N 2 0 292.467 2.703 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000574054422 322679521 /nfs/dbraw/zinc/67/95/21/322679521.db2.gz PJVZKDVHJFLLLU-ZYHUDNBSSA-N 2 0 265.426 2.628 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000574191173 322684411 /nfs/dbraw/zinc/68/44/11/322684411.db2.gz RQGBEYUNQFUXCJ-CHWSQXEVSA-N 2 0 250.386 2.782 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000574442077 322692910 /nfs/dbraw/zinc/69/29/10/322692910.db2.gz UIOVEQSBVFRQKI-JHNDHUHGSA-N 2 0 273.424 2.825 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000574756046 322704649 /nfs/dbraw/zinc/70/46/49/322704649.db2.gz KXPHPWAJOVSLKT-CQSZACIVSA-N 2 0 296.418 2.703 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000185359137 323964616 /nfs/dbraw/zinc/96/46/16/323964616.db2.gz IXNGYYBRBFYYDS-INIZCTEOSA-N 2 0 261.413 2.854 20 0 CFADRP COC[C@@H](C)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000187764788 324002002 /nfs/dbraw/zinc/00/20/02/324002002.db2.gz WKYZELNPAOANGH-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000189811538 324033950 /nfs/dbraw/zinc/03/39/50/324033950.db2.gz UENWCSJPPPBFQL-SJORKVTESA-N 2 0 282.472 2.713 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192847301 324066242 /nfs/dbraw/zinc/06/62/42/324066242.db2.gz IUQKLKCHPFAUCF-WMLDXEAASA-N 2 0 273.424 2.865 20 0 CFADRP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211985190 324110242 /nfs/dbraw/zinc/11/02/42/324110242.db2.gz POFWYNDPXVKDKK-UONOGXRCSA-N 2 0 258.409 2.953 20 0 CFADRP CC/C=C\CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342248664 324126585 /nfs/dbraw/zinc/12/65/85/324126585.db2.gz MXGKJVXZBRPITA-ARJAWSKDSA-N 2 0 280.456 2.920 20 0 CFADRP CSCC1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC000385553621 324462541 /nfs/dbraw/zinc/46/25/41/324462541.db2.gz NOOZWGJLDVWQLT-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(F)F ZINC000389477229 324518251 /nfs/dbraw/zinc/51/82/51/324518251.db2.gz PQYBYHLAGCUVPU-NSHDSACASA-N 2 0 269.339 2.684 20 0 CFADRP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000577184684 324707238 /nfs/dbraw/zinc/70/72/38/324707238.db2.gz RJNPRKCIZGQZBY-ZFWWWQNUSA-N 2 0 270.461 2.636 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000577214730 324711779 /nfs/dbraw/zinc/71/17/79/324711779.db2.gz HUNZLDRJNCNMMQ-INWSAYAOSA-N 2 0 286.419 2.875 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000578143209 324821420 /nfs/dbraw/zinc/82/14/20/324821420.db2.gz GALBGXIHVCNIEX-QCQGSNGOSA-N 2 0 280.387 2.761 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000578846537 324894320 /nfs/dbraw/zinc/89/43/20/324894320.db2.gz HEQFIWKQVXZVCD-QBPKDAKJSA-N 3 0 281.488 2.652 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cc3ccccc3o2)C1 ZINC000579494833 324956531 /nfs/dbraw/zinc/95/65/31/324956531.db2.gz CESUKNNWMLPEKV-ZIAGYGMSSA-N 2 0 258.365 2.835 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000579931837 324991768 /nfs/dbraw/zinc/99/17/68/324991768.db2.gz LRLKTBISIFHTDY-TZMCWYRMSA-N 2 0 252.427 2.972 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCCC2(C)C)CC[NH2+]CC1 ZINC000580289914 325022216 /nfs/dbraw/zinc/02/22/16/325022216.db2.gz KLJNIBQTDPWOPF-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@]1(c2ccccc2)C[N@H+](CCC2CC[NH2+]CC2)CCO1 ZINC000580431985 325034916 /nfs/dbraw/zinc/03/49/16/325034916.db2.gz GYZOXDVMOXFZNE-GOSISDBHSA-N 2 0 288.435 2.624 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cncc(F)c1 ZINC000580551917 325045297 /nfs/dbraw/zinc/04/52/97/325045297.db2.gz AVPQAKOJDPOZES-LLVKDONJSA-N 2 0 259.328 2.530 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCc2occc21 ZINC000580708866 325057625 /nfs/dbraw/zinc/05/76/25/325057625.db2.gz LEUPUSMKPZUBLZ-WKKLJEPSSA-N 2 0 260.381 2.763 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000580777186 325063297 /nfs/dbraw/zinc/06/32/97/325063297.db2.gz LUJLLCZKJMWWRB-WBVHZDCISA-N 2 0 294.483 2.639 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000581190818 325098867 /nfs/dbraw/zinc/09/88/67/325098867.db2.gz AMEUPJAFGYSPAB-OLZOCXBDSA-N 2 0 278.444 2.683 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000581321813 325111538 /nfs/dbraw/zinc/11/15/38/325111538.db2.gz ZMBGVYWAQAWQGN-IRXDYDNUSA-N 2 0 288.435 2.594 20 0 CFADRP c1cncc([C@H]2CCC[C@H]([NH2+]CCCN3CCC3)C2)c1 ZINC000581558673 325132067 /nfs/dbraw/zinc/13/20/67/325132067.db2.gz XIBDTRHGOLAKOG-RDJZCZTQSA-N 2 0 273.424 2.793 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000581720339 325145359 /nfs/dbraw/zinc/14/53/59/325145359.db2.gz KZXVWSFAMVUWPK-CQSZACIVSA-N 2 0 284.407 2.523 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000581825100 325150998 /nfs/dbraw/zinc/15/09/98/325150998.db2.gz ZPZTZJKSIAJDGG-QGZVFWFLSA-N 2 0 285.366 2.920 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000581931362 325160417 /nfs/dbraw/zinc/16/04/17/325160417.db2.gz QCHHUMPYOOXZOY-MCIONIFRSA-N 2 0 286.423 2.601 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582304565 325194069 /nfs/dbraw/zinc/19/40/69/325194069.db2.gz UMWLQKIAMUQXPN-LISAXSMJSA-N 2 0 294.483 2.780 20 0 CFADRP c1nc(-c2ccccc2)sc1C[NH2+]CCCN1CCC1 ZINC000582496848 325209696 /nfs/dbraw/zinc/20/96/96/325209696.db2.gz KGTXIIHITNLZBJ-UHFFFAOYSA-N 2 0 287.432 2.996 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000582525490 325211844 /nfs/dbraw/zinc/21/18/44/325211844.db2.gz ACLBNOGUKYWUCP-OAHLLOKOSA-N 2 0 297.446 2.957 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000582600260 325218095 /nfs/dbraw/zinc/21/80/95/325218095.db2.gz JWEXIEWEDNOIJB-KRWDZBQOSA-N 2 0 260.425 2.905 20 0 CFADRP CCCOc1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1 ZINC000582654103 325222875 /nfs/dbraw/zinc/22/28/75/325222875.db2.gz QAVCQWUGSXTBHA-OAHLLOKOSA-N 2 0 264.413 2.938 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000582659987 325223602 /nfs/dbraw/zinc/22/36/02/325223602.db2.gz BZNDVRJGWRLONY-ZDUSSCGKSA-N 2 0 295.402 2.521 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(C4CC4)s3)C[C@H]21 ZINC000582666517 325224113 /nfs/dbraw/zinc/22/41/13/325224113.db2.gz RYTUXUGZWSONJC-MRVWCRGKSA-N 2 0 277.437 2.580 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CO1 ZINC000582844685 325238759 /nfs/dbraw/zinc/23/87/59/325238759.db2.gz FMWCZESKAFLFOU-RDJZCZTQSA-N 2 0 290.451 2.912 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000583024605 325253699 /nfs/dbraw/zinc/25/36/99/325253699.db2.gz DTCYWRGRVNFEBD-QWHCGFSZSA-N 2 0 272.396 2.601 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000583392006 325284272 /nfs/dbraw/zinc/28/42/72/325284272.db2.gz QPABLBBRSANPFX-ARFHVFGLSA-N 2 0 295.496 2.991 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000583434779 325286882 /nfs/dbraw/zinc/28/68/82/325286882.db2.gz WQAKVFOHSJTGFP-UMVBOHGHSA-N 2 0 277.412 2.749 20 0 CFADRP c1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)nc2c1CCC2 ZINC000583485317 325290770 /nfs/dbraw/zinc/29/07/70/325290770.db2.gz CUBUHCTXVSJDEH-INIZCTEOSA-N 2 0 299.462 2.878 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583950592 325321172 /nfs/dbraw/zinc/32/11/72/325321172.db2.gz KCVBNWOITJUULQ-QBPKDAKJSA-N 2 0 282.472 2.900 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CCC[NH2+]C(C)C)C2CC2)c1 ZINC000584047134 325326901 /nfs/dbraw/zinc/32/69/01/325326901.db2.gz DJAGWHQSQAFHAL-SFHVURJKSA-N 2 0 290.451 2.994 20 0 CFADRP CCn1c2ccccc2nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000584056703 325327883 /nfs/dbraw/zinc/32/78/83/325327883.db2.gz BAWFOKPCFUHVQF-UHFFFAOYSA-N 2 0 286.423 2.617 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000584160138 325334588 /nfs/dbraw/zinc/33/45/88/325334588.db2.gz BQAVNWIXCNJBOW-WMLDXEAASA-N 2 0 298.434 2.613 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000584301753 325345212 /nfs/dbraw/zinc/34/52/12/325345212.db2.gz CPTMOXLRNWPAGS-VXGBXAGGSA-N 2 0 281.469 2.843 20 0 CFADRP C(C1CCCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834720 518379940 /nfs/dbraw/zinc/37/99/40/518379940.db2.gz CVWRPZRTTIEUNQ-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000361014920 519422883 /nfs/dbraw/zinc/42/28/83/519422883.db2.gz XXZAPLKLTGQVHJ-DLBZAZTESA-N 2 0 282.472 2.805 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1ncc2c(n1)C[NH2+]C2 ZINC001243335490 782141640 /nfs/dbraw/zinc/14/16/40/782141640.db2.gz PZJDABJSYIRSMM-UHFFFAOYSA-N 2 0 282.391 2.589 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000165962547 520291415 /nfs/dbraw/zinc/29/14/15/520291415.db2.gz CXYTXJRONCBFRE-HOCLYGCPSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423158455 533723029 /nfs/dbraw/zinc/72/30/29/533723029.db2.gz CQZTZTQNMPFFEY-KBUPBQIOSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000415035040 533737079 /nfs/dbraw/zinc/73/70/79/533737079.db2.gz KJWUGOVHIXXQAO-AAEUAGOBSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423301508 533772152 /nfs/dbraw/zinc/77/21/52/533772152.db2.gz UBHPFIBNNGWKNR-IINYFYTJSA-N 2 0 252.789 2.976 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414910370 533780725 /nfs/dbraw/zinc/78/07/25/533780725.db2.gz VAKJRBRWSXAHAJ-CQSZACIVSA-N 2 0 252.789 2.880 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)nc1 ZINC000423168890 533806290 /nfs/dbraw/zinc/80/62/90/533806290.db2.gz VGXXERVFJYPBLX-IAGOWNOFSA-N 2 0 267.376 2.667 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1-n1cccn1 ZINC000422885804 533815891 /nfs/dbraw/zinc/81/58/91/533815891.db2.gz HEZLIRIGYNPSFU-LSVZVQIISA-N 2 0 296.418 2.806 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422866884 533836228 /nfs/dbraw/zinc/83/62/28/533836228.db2.gz RIXZSJXYUQGMHJ-LLVKDONJSA-N 2 0 270.417 2.906 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000414747064 533839469 /nfs/dbraw/zinc/83/94/69/533839469.db2.gz ROOCKKBMTCZATC-VXGBXAGGSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H]([NH2+]CCCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414822615 533845212 /nfs/dbraw/zinc/84/52/12/533845212.db2.gz NHDHLBWADKNIFT-HOTGVXAUSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccc(Cl)cc1 ZINC000422710794 533845260 /nfs/dbraw/zinc/84/52/60/533845260.db2.gz GDBCMYPPNPJXSR-GFCCVEGCSA-N 2 0 270.804 2.826 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422734609 533849401 /nfs/dbraw/zinc/84/94/01/533849401.db2.gz UHPFZDNMUAEDOE-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423256226 533865755 /nfs/dbraw/zinc/86/57/55/533865755.db2.gz BMYAWXWATFPSSV-JKSUJKDBSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423243935 533866203 /nfs/dbraw/zinc/86/62/03/533866203.db2.gz GUZQBKLASFIAOR-LSDHHAIUSA-N 2 0 298.434 2.737 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422788072 533868915 /nfs/dbraw/zinc/86/89/15/533868915.db2.gz RXSLUUIUFQWCCW-SECBINFHSA-N 2 0 291.226 2.517 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422736714 533871195 /nfs/dbraw/zinc/87/11/95/533871195.db2.gz WHQAUSZCBJJTHE-VIFPVBQESA-N 2 0 273.207 2.733 20 0 CFADRP C[C@H]([NH2+]CCc1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000422937889 533872621 /nfs/dbraw/zinc/87/26/21/533872621.db2.gz DCBYPXSQXUDQJS-ZDUSSCGKSA-N 2 0 254.377 2.580 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423097043 533873284 /nfs/dbraw/zinc/87/32/84/533873284.db2.gz ACYPWLMCEDIBTL-IUODEOHRSA-N 2 0 283.847 2.660 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258898 533873879 /nfs/dbraw/zinc/87/38/79/533873879.db2.gz MZXVNZZGSCFTEX-XJKSGUPXSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCc1cccc(Cl)c1 ZINC000422938281 533869073 /nfs/dbraw/zinc/86/90/73/533869073.db2.gz DMXBBLXQUHRCBF-GFCCVEGCSA-N 2 0 254.805 2.990 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423080745 533870413 /nfs/dbraw/zinc/87/04/13/533870413.db2.gz AIGRLQCWYZDDOQ-HZPDHXFCSA-N 2 0 275.440 2.620 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422803128 533870549 /nfs/dbraw/zinc/87/05/49/533870549.db2.gz FMYPOPMWAJSZOM-CYBMUJFWSA-N 2 0 286.423 2.518 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423462794 533882088 /nfs/dbraw/zinc/88/20/88/533882088.db2.gz PLXAUPVLEKJEOL-OGHNNQOOSA-N 2 0 274.408 2.885 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422905168 533883227 /nfs/dbraw/zinc/88/32/27/533883227.db2.gz RLMYBLSYAPDALF-OWLYRPNTSA-N 2 0 288.435 2.884 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1SC ZINC000414857157 533892271 /nfs/dbraw/zinc/89/22/71/533892271.db2.gz PASMAMCSGRMMKP-JSGCOSHPSA-N 2 0 294.464 2.895 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1OC(C)C ZINC000414792493 533895931 /nfs/dbraw/zinc/89/59/31/533895931.db2.gz IZSVCYQCMYLJGG-HUUCEWRRSA-N 2 0 292.423 2.699 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000415032234 533909221 /nfs/dbraw/zinc/90/92/21/533909221.db2.gz HUFBZMIJVLAYJV-ZFWWWQNUSA-N 2 0 292.423 2.699 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423111807 533905673 /nfs/dbraw/zinc/90/56/73/533905673.db2.gz JIFOUSNUXZCQLG-RWMBFGLXSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414773246 533927814 /nfs/dbraw/zinc/92/78/14/533927814.db2.gz DGHFHCCXZITGOC-IAGOWNOFSA-N 2 0 258.409 2.817 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423262071 533943141 /nfs/dbraw/zinc/94/31/41/533943141.db2.gz UEPQQMZDIREDEO-UKRRQHHQSA-N 2 0 292.471 2.987 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423207463 533956315 /nfs/dbraw/zinc/95/63/15/533956315.db2.gz CSOCNLIMBRCDEM-VNHYZAJKSA-N 2 0 278.444 2.811 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422747388 533977529 /nfs/dbraw/zinc/97/75/29/533977529.db2.gz QBWXYIYHLRLGPU-AEGPPILISA-N 2 0 288.391 2.583 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702678 533981048 /nfs/dbraw/zinc/98/10/48/533981048.db2.gz IGNKRWHJYMXZNM-UONOGXRCSA-N 2 0 276.424 2.908 20 0 CFADRP C[C@H]([NH2+][C@H](COc1ccccc1F)C(C)(C)C)C1C[NH2+]C1 ZINC000422716373 533997700 /nfs/dbraw/zinc/99/77/00/533997700.db2.gz UMLFZQWGGZYODQ-BLLLJJGKSA-N 2 0 294.414 2.817 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000425338774 533998042 /nfs/dbraw/zinc/99/80/42/533998042.db2.gz QFJHDTHAQOLAQV-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](C[NH3+])CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423307492 534048060 /nfs/dbraw/zinc/04/80/60/534048060.db2.gz NIUQOYJTKRTCHF-CQSZACIVSA-N 2 0 283.504 2.850 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000414877326 534048568 /nfs/dbraw/zinc/04/85/68/534048568.db2.gz MKSFUGXZVGYRNP-GFCCVEGCSA-N 2 0 273.355 2.572 20 0 CFADRP C[C@@H](C[NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414850137 534058791 /nfs/dbraw/zinc/05/87/91/534058791.db2.gz YUCDIMIRBLYXAA-UONOGXRCSA-N 2 0 264.388 2.909 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000414686390 534081720 /nfs/dbraw/zinc/08/17/20/534081720.db2.gz AIJJZOBYLPXLKD-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735963 534082252 /nfs/dbraw/zinc/08/22/52/534082252.db2.gz FQEORINNARBTKR-ZOWXZIJZSA-N 2 0 250.361 2.659 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(OC(C)C)c1 ZINC000422878643 534088867 /nfs/dbraw/zinc/08/88/67/534088867.db2.gz TZPPWAPGNIMVHL-UONOGXRCSA-N 2 0 264.413 2.998 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])ccc2[nH]1 ZINC000423102256 534093284 /nfs/dbraw/zinc/09/32/84/534093284.db2.gz DSLHNZYXBLKTBJ-HIFRSBDPSA-N 2 0 257.381 2.693 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414840506 534102891 /nfs/dbraw/zinc/10/28/91/534102891.db2.gz KKJIXPYCWNFNDL-CQSZACIVSA-N 2 0 276.424 2.877 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000425337909 534112823 /nfs/dbraw/zinc/11/28/23/534112823.db2.gz ALXFWWMGCHNCMB-KBPBESRZSA-N 2 0 258.475 2.979 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000422771090 534122626 /nfs/dbraw/zinc/12/26/26/534122626.db2.gz VJHJZPGLLJHVTJ-QKCSRTOESA-N 2 0 252.427 2.718 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415041019 534123039 /nfs/dbraw/zinc/12/30/39/534123039.db2.gz PJULCKDKEKFGQG-TYNCELHUSA-N 2 0 250.361 2.646 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423249950 534129191 /nfs/dbraw/zinc/12/91/91/534129191.db2.gz PPKDFTMUUUAKMI-SJLPKXTDSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000414918773 534135597 /nfs/dbraw/zinc/13/55/97/534135597.db2.gz SUWJZCOYJWFIKF-NXHRZFHOSA-N 2 0 287.451 2.554 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422870473 534147715 /nfs/dbraw/zinc/14/77/15/534147715.db2.gz BWCOYRBDUFHSBZ-GXTWGEPZSA-N 2 0 264.438 2.934 20 0 CFADRP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000415016467 534160670 /nfs/dbraw/zinc/16/06/70/534160670.db2.gz PVNZWDNOCMLGRB-NSHDSACASA-N 2 0 298.814 2.734 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423027771 534165596 /nfs/dbraw/zinc/16/55/96/534165596.db2.gz PSIKDHVJUKTGFB-BBRMVZONSA-N 2 0 261.413 2.609 20 0 CFADRP C[C@]1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000414904775 534175607 /nfs/dbraw/zinc/17/56/07/534175607.db2.gz KPDALRISGOHBFN-WPTTZPOMSA-N 2 0 280.362 2.957 20 0 CFADRP C[C@]1(C[NH2+]C/C=C\c2ccc(F)cc2)CCC[NH2+]C1 ZINC000414909273 534175709 /nfs/dbraw/zinc/17/57/09/534175709.db2.gz RKGOIPXLRZAHKD-ZENLRNHISA-N 2 0 262.372 2.818 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC(C)(F)F ZINC000423145426 534175922 /nfs/dbraw/zinc/17/59/22/534175922.db2.gz KRCAGSWNDSQGKC-WCQYABFASA-N 2 0 256.340 2.580 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1CC(F)(F)C1 ZINC000423160486 534176148 /nfs/dbraw/zinc/17/61/48/534176148.db2.gz HLLKDMSXPRJKSE-SWLSCSKDSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422838281 534177436 /nfs/dbraw/zinc/17/74/36/534177436.db2.gz NZTXNOGBGAPQSC-OVWQWFNUSA-N 2 0 289.467 2.755 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCOC1CCCC1 ZINC000422831461 534177622 /nfs/dbraw/zinc/17/76/22/534177622.db2.gz TTYXJCNTPKMAHI-MAUKXSAKSA-N 2 0 290.451 2.884 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423096252 534200422 /nfs/dbraw/zinc/20/04/22/534200422.db2.gz OHYXBSPROBOIGP-BBRMVZONSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414907508 534203863 /nfs/dbraw/zinc/20/38/63/534203863.db2.gz QQXWINXFYCQLJF-GOSISDBHSA-N 2 0 298.434 2.864 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414694776 534234397 /nfs/dbraw/zinc/23/43/97/534234397.db2.gz NUAJGJRBEMQCKG-IJEWVQPXSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH3+] ZINC000414749134 534239459 /nfs/dbraw/zinc/23/94/59/534239459.db2.gz JTYLMYULYMBIPF-JTQLQIEISA-N 2 0 260.303 2.575 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423336779 534248835 /nfs/dbraw/zinc/24/88/35/534248835.db2.gz YERRCMBOTKNRHA-IINYFYTJSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000414675804 534289134 /nfs/dbraw/zinc/28/91/34/534289134.db2.gz RRSJKQFFRGSROB-COXVUDFISA-N 2 0 258.409 2.849 20 0 CFADRP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037620491 517570020 /nfs/dbraw/zinc/57/00/20/517570020.db2.gz ZNTSFLIMYHEJHU-MRXNPFEDSA-N 2 0 291.439 2.984 20 0 CFADRP C(CC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000336823700 518382489 /nfs/dbraw/zinc/38/24/89/518382489.db2.gz QXBZQMWYWZYHMO-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCCC1 ZINC000193951103 518394498 /nfs/dbraw/zinc/39/44/98/518394498.db2.gz HIIGUVFQYBFYCT-BRWVUGGUSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360253626 518935865 /nfs/dbraw/zinc/93/58/65/518935865.db2.gz ZQZFIBZYAKAPLX-XHSDSOJGSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@@H]1CCOC1)C(C)C ZINC000155819174 519643598 /nfs/dbraw/zinc/64/35/98/519643598.db2.gz GDZJXMITDNRPFC-HUUCEWRRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CCOC[C@@H]1C)C(C)C ZINC000192613560 519644314 /nfs/dbraw/zinc/64/43/14/519644314.db2.gz FPUSKEKMDTYBOP-GJZGRUSLSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000191543908 519681604 /nfs/dbraw/zinc/68/16/04/519681604.db2.gz XKKQVBLQPVAQEM-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000361003165 519777352 /nfs/dbraw/zinc/77/73/52/519777352.db2.gz NKVSPYWUAXHVRI-GJZGRUSLSA-N 2 0 270.461 2.898 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccsc1)N1CC[NH+](C)CC1 ZINC000050344474 519795113 /nfs/dbraw/zinc/79/51/13/519795113.db2.gz JVNULZKALDKSAN-GDBMZVCRSA-N 2 0 295.496 2.671 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCOCc1ccccc1 ZINC000310026897 519796368 /nfs/dbraw/zinc/79/63/68/519796368.db2.gz VRBURLHZQHLCBL-KRWDZBQOSA-N 2 0 278.440 2.899 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000252163898 519816159 /nfs/dbraw/zinc/81/61/59/519816159.db2.gz QESZMNFVJUMSAZ-MLHJIOFPSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@H](O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000165357602 519823075 /nfs/dbraw/zinc/82/30/75/519823075.db2.gz YVDZAMSMTYWPJT-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+](CCCC(C)C)CC2)CC1 ZINC000364856683 519844752 /nfs/dbraw/zinc/84/47/52/519844752.db2.gz VWFLDUZUDIKTII-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000360240346 519846691 /nfs/dbraw/zinc/84/66/91/519846691.db2.gz UJWSQZBKZPAZDE-KRWDZBQOSA-N 2 0 276.424 2.574 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000302558722 519847044 /nfs/dbraw/zinc/84/70/44/519847044.db2.gz LTOABTFHUKBGIZ-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP CCOCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309776062 519898517 /nfs/dbraw/zinc/89/85/17/519898517.db2.gz JALBMSNCADKMGA-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000088781881 519914671 /nfs/dbraw/zinc/91/46/71/519914671.db2.gz FYFIMPPTIZRNIP-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)C12CCCC2 ZINC000085678488 520365643 /nfs/dbraw/zinc/36/56/43/520365643.db2.gz MJTHOEOAUDJGFR-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423350199 534493257 /nfs/dbraw/zinc/49/32/57/534493257.db2.gz YTSIMMLFAKSDBV-MRXNPFEDSA-N 2 0 260.356 2.786 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)nc1 ZINC000423252705 534493878 /nfs/dbraw/zinc/49/38/78/534493878.db2.gz UJASPUYRCODJSO-RDTXWAMCSA-N 2 0 299.393 2.899 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422767176 534497575 /nfs/dbraw/zinc/49/75/75/534497575.db2.gz YHURISGJKCNMLE-KSZLIROESA-N 2 0 287.451 2.999 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000224589220 520547940 /nfs/dbraw/zinc/54/79/40/520547940.db2.gz PZXUMSAVMIUYFH-KGLIPLIRSA-N 2 0 256.434 2.510 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000340032992 520581303 /nfs/dbraw/zinc/58/13/03/520581303.db2.gz HVSDTBQCJKXGJW-MRXNPFEDSA-N 2 0 294.487 2.897 20 0 CFADRP CCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534165 520590296 /nfs/dbraw/zinc/59/02/96/520590296.db2.gz SPRAWYUIBMAVBA-UHFFFAOYSA-N 2 0 289.467 2.536 20 0 CFADRP c1cncc(-c2cccc(C[NH2+]CC[C@H]3CC[NH2+]C3)c2)c1 ZINC000414829153 534505508 /nfs/dbraw/zinc/50/55/08/534505508.db2.gz KGRWJBAMMDMDND-OAHLLOKOSA-N 2 0 281.403 2.838 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H](C)OC ZINC000361927293 520725516 /nfs/dbraw/zinc/72/55/16/520725516.db2.gz SOALPVAZUJURMM-UGUYLWEFSA-N 2 0 270.461 2.900 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000173784743 520742145 /nfs/dbraw/zinc/74/21/45/520742145.db2.gz KDOWVAKZHPYEQU-QGZVFWFLSA-N 2 0 290.451 2.901 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049551751 521008799 /nfs/dbraw/zinc/00/87/99/521008799.db2.gz VDGGQOVLHVJVDE-CYBMUJFWSA-N 2 0 250.386 2.515 20 0 CFADRP CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000361888163 521157624 /nfs/dbraw/zinc/15/76/24/521157624.db2.gz ICKVTEYLUXYZAR-INIZCTEOSA-N 2 0 276.424 2.574 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000165313440 521197823 /nfs/dbraw/zinc/19/78/23/521197823.db2.gz LXILDIFFKQRKGI-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261632232 521454883 /nfs/dbraw/zinc/45/48/83/521454883.db2.gz CGAXTFFWBJKAND-BZUAXINKSA-N 2 0 282.472 2.686 20 0 CFADRP CCC(CC)[C@H](C[NH2+]C1CCC(O)CC1)[NH+]1CCCC1 ZINC000353442924 521618657 /nfs/dbraw/zinc/61/86/57/521618657.db2.gz DNWNZORQCNEHTR-JCYILVPMSA-N 2 0 282.472 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000300079014 521717292 /nfs/dbraw/zinc/71/72/92/521717292.db2.gz PUOYEKYHQBABHZ-FVQBIDKESA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252715399 521717943 /nfs/dbraw/zinc/71/79/43/521717943.db2.gz VLZVUSAQPYLKDL-UKRRQHHQSA-N 2 0 264.388 2.688 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccncc2)[C@H](C)C1 ZINC000360472594 521720124 /nfs/dbraw/zinc/72/01/24/521720124.db2.gz GZDOFNYBTXSQTG-WBVHZDCISA-N 2 0 275.440 2.676 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCC12CCOCC2)C(C)(C)C ZINC000374304072 521811636 /nfs/dbraw/zinc/81/16/36/521811636.db2.gz WIFASIIKRWXTFG-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000157077494 521978283 /nfs/dbraw/zinc/97/82/83/521978283.db2.gz KVWLCJBVTKMZRY-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414905856 534605214 /nfs/dbraw/zinc/60/52/14/534605214.db2.gz OOCVUWSZFNFGPE-LSDHHAIUSA-N 2 0 250.361 2.790 20 0 CFADRP [NH3+]CCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000414681258 534608781 /nfs/dbraw/zinc/60/87/81/534608781.db2.gz VRAAQOHAZQXGJS-UHFFFAOYSA-N 2 0 283.213 2.762 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334998300 522056132 /nfs/dbraw/zinc/05/61/32/522056132.db2.gz OTFLSDMYPVLPNM-LRDDRELGSA-N 2 0 262.372 2.744 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000071146946 522056568 /nfs/dbraw/zinc/05/65/68/522056568.db2.gz VPAFZHSFLANTOH-INIZCTEOSA-N 2 0 276.424 2.614 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000361131409 522091062 /nfs/dbraw/zinc/09/10/62/522091062.db2.gz JCTXJUDMEQJMQG-DZGCQCFKSA-N 2 0 261.413 2.779 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000361617990 522137839 /nfs/dbraw/zinc/13/78/39/522137839.db2.gz ZKVPDZVDFHBQQP-UHFFFAOYSA-N 2 0 289.423 2.644 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246556026 522242576 /nfs/dbraw/zinc/24/25/76/522242576.db2.gz WWILDHMDRDUGPC-DZGCQCFKSA-N 2 0 262.397 2.576 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433346 522289489 /nfs/dbraw/zinc/28/94/89/522289489.db2.gz OFSPZZNXCSWZMZ-SFHVURJKSA-N 2 0 287.451 2.670 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422777317 534634395 /nfs/dbraw/zinc/63/43/95/534634395.db2.gz FIMBGUXHLKFHOD-GDBMZVCRSA-N 2 0 260.425 2.990 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192931418 522595164 /nfs/dbraw/zinc/59/51/64/522595164.db2.gz FCOZEJBVXGHUJG-SJORKVTESA-N 2 0 276.424 2.523 20 0 CFADRP C[N@H+](CC1CC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336262374 522612501 /nfs/dbraw/zinc/61/25/01/522612501.db2.gz BLTROJDFRMOCFN-FUNVUKJBSA-N 2 0 258.356 2.589 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCOCC[NH3+] ZINC000357067613 522625316 /nfs/dbraw/zinc/62/53/16/522625316.db2.gz CVHCSHSWNPKADY-KRWDZBQOSA-N 2 0 278.440 2.613 20 0 CFADRP COC[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309780835 522625433 /nfs/dbraw/zinc/62/54/33/522625433.db2.gz DZLQNTXRUVOWTA-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000234806306 522669094 /nfs/dbraw/zinc/66/90/94/522669094.db2.gz FGYYDRGKWMLQEB-SOUVJXGZSA-N 2 0 270.461 2.935 20 0 CFADRP COC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000128114312 522737100 /nfs/dbraw/zinc/73/71/00/522737100.db2.gz PHXAJLCTUIWHBM-KRWDZBQOSA-N 2 0 276.424 2.523 20 0 CFADRP CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCOC1 ZINC000361528777 522743902 /nfs/dbraw/zinc/74/39/02/522743902.db2.gz WKYJXJSBAZEATQ-SOUVJXGZSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@H+](CCCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000339414986 522792219 /nfs/dbraw/zinc/79/22/19/522792219.db2.gz LHSLRSROQWNJJV-KRWDZBQOSA-N 2 0 288.435 2.628 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000151881944 522823252 /nfs/dbraw/zinc/82/32/52/522823252.db2.gz RFDSSWVOMBOLHA-QGZVFWFLSA-N 2 0 282.472 2.639 20 0 CFADRP COCc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000088555236 523042446 /nfs/dbraw/zinc/04/24/46/523042446.db2.gz NWRHUOXIWQYQFT-GOSISDBHSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H](C)CCC[NH3+] ZINC000422948345 534681588 /nfs/dbraw/zinc/68/15/88/534681588.db2.gz REASJHCCXSPZKR-OAHLLOKOSA-N 2 0 264.413 2.789 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422938630 534681926 /nfs/dbraw/zinc/68/19/26/534681926.db2.gz HNCJCHOTWKDJAZ-HOTGVXAUSA-N 2 0 276.424 2.789 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173473 534688784 /nfs/dbraw/zinc/68/87/84/534688784.db2.gz YVZJVKSLWLKJPS-WXYCVUISSA-N 2 0 262.372 2.789 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191406568 523166127 /nfs/dbraw/zinc/16/61/27/523166127.db2.gz PULHUWAXXGPKPX-QGZVFWFLSA-N 2 0 281.488 2.667 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC([NH2+]C(C)C)CC2)CCO1 ZINC000356988287 523375911 /nfs/dbraw/zinc/37/59/11/523375911.db2.gz KTRDLURHUZAZKB-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+](Cc1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368062109 523462166 /nfs/dbraw/zinc/46/21/66/523462166.db2.gz POKSLHVSISZNLG-UHFFFAOYSA-N 2 0 296.418 2.825 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138793 523464043 /nfs/dbraw/zinc/46/40/43/523464043.db2.gz MHPALTGHLSMCMA-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422889545 534715420 /nfs/dbraw/zinc/71/54/20/534715420.db2.gz PUNGDPSOOZAVAR-GDBMZVCRSA-N 2 0 257.381 2.570 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363459525 523821703 /nfs/dbraw/zinc/82/17/03/523821703.db2.gz NRBJNGJUJKPHAH-NVXWUHKLSA-N 2 0 274.408 2.624 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252673141 523947342 /nfs/dbraw/zinc/94/73/42/523947342.db2.gz GQWNTCRCARMPKQ-IRXDYDNUSA-N 2 0 258.409 2.965 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000246417241 523953094 /nfs/dbraw/zinc/95/30/94/523953094.db2.gz MXJGQANHCWFMJH-NSNWQYSKSA-N 2 0 294.414 2.832 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCSCc3ccccc3)C2)C1 ZINC000366564391 523996191 /nfs/dbraw/zinc/99/61/91/523996191.db2.gz ZZZBKCOKHBVWFH-KRWDZBQOSA-N 2 0 290.476 2.947 20 0 CFADRP CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443280 524003419 /nfs/dbraw/zinc/00/34/19/524003419.db2.gz PUOPQGXKGNTQDB-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193641310 524015863 /nfs/dbraw/zinc/01/58/63/524015863.db2.gz GGFVRZLNFWVERV-GASCZTMLSA-N 2 0 278.827 2.766 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCc2ccncc2)CC1 ZINC000360438295 524051084 /nfs/dbraw/zinc/05/10/84/524051084.db2.gz QSJHDGZLGNUPIU-UHFFFAOYSA-N 2 0 275.440 2.678 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCn1ccc2ccccc21 ZINC000311954196 524139707 /nfs/dbraw/zinc/13/97/07/524139707.db2.gz KFXHMNHCXMKTIF-CQSZACIVSA-N 2 0 259.397 2.748 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158700530 524175086 /nfs/dbraw/zinc/17/50/86/524175086.db2.gz ZGQHQKDEUSLZPR-BRSBDYLESA-N 2 0 294.483 2.998 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000334839172 524241945 /nfs/dbraw/zinc/24/19/45/524241945.db2.gz YAKJKZGNFXGHCK-HOTGVXAUSA-N 2 0 287.451 2.958 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000335022024 524311601 /nfs/dbraw/zinc/31/16/01/524311601.db2.gz CIYIECZRIIAFAF-FZMZJTMJSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024054 524313008 /nfs/dbraw/zinc/31/30/08/524313008.db2.gz UYZFVOARBPVJCZ-AAEUAGOBSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000339412709 524317204 /nfs/dbraw/zinc/31/72/04/524317204.db2.gz QQSXHIVTNHGVCK-SJPCQFCGSA-N 2 0 273.424 2.537 20 0 CFADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000075206820 524335787 /nfs/dbraw/zinc/33/57/87/524335787.db2.gz RCMCJUNZMKVRKM-ALOPSCKCSA-N 2 0 258.409 2.752 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000336212151 524352967 /nfs/dbraw/zinc/35/29/67/524352967.db2.gz BPWHHGAXFNXGSX-KRWDZBQOSA-N 2 0 258.409 2.565 20 0 CFADRP C[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000235155293 524412034 /nfs/dbraw/zinc/41/20/34/524412034.db2.gz YHQIFYHLMIYNMS-NSHDSACASA-N 2 0 287.329 2.981 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340683825 524438334 /nfs/dbraw/zinc/43/83/34/524438334.db2.gz RDJWEJIJGKAGTP-HNNXBMFYSA-N 2 0 280.456 2.515 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000312391813 524444844 /nfs/dbraw/zinc/44/48/44/524444844.db2.gz CXJDHKVFXNPRCJ-QGZVFWFLSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Br)s1 ZINC000308868712 524457762 /nfs/dbraw/zinc/45/77/62/524457762.db2.gz RMXSVGSQDLZBDQ-VIFPVBQESA-N 2 0 291.258 2.770 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000308983659 524457863 /nfs/dbraw/zinc/45/78/63/524457863.db2.gz FWIJNHSIIRIGID-JTQLQIEISA-N 2 0 271.202 2.666 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc21 ZINC000192752110 524481820 /nfs/dbraw/zinc/48/18/20/524481820.db2.gz GYCUMLYJYSNWHT-CCNLRDMRSA-N 2 0 299.462 2.652 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Cc1cccs1 ZINC000361762991 524498730 /nfs/dbraw/zinc/49/87/30/524498730.db2.gz FYLSADTYKPIVLF-KCQAQPDRSA-N 2 0 266.454 2.857 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Cc1cccs1 ZINC000167480822 524502758 /nfs/dbraw/zinc/50/27/58/524502758.db2.gz FYLSADTYKPIVLF-YDHLFZDLSA-N 2 0 266.454 2.857 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000088194986 524508265 /nfs/dbraw/zinc/50/82/65/524508265.db2.gz KNSIAGRHSPKYIL-HOTGVXAUSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000335022022 524529125 /nfs/dbraw/zinc/52/91/25/524529125.db2.gz CIYIECZRIIAFAF-BXUZGUMPSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000157594190 524548405 /nfs/dbraw/zinc/54/84/05/524548405.db2.gz RBNZJTDLCNMCRK-DLBZAZTESA-N 2 0 292.471 2.906 20 0 CFADRP Cc1cc(C)n([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000363460266 524550803 /nfs/dbraw/zinc/55/08/03/524550803.db2.gz ZORLVQDWCJLIAG-IAGOWNOFSA-N 2 0 290.455 2.621 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000157597832 524551221 /nfs/dbraw/zinc/55/12/21/524551221.db2.gz FIYMYDLKGYFUSI-BBWFWOEESA-N 2 0 292.471 2.619 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000157598109 524551563 /nfs/dbraw/zinc/55/15/63/524551563.db2.gz FIYMYDLKGYFUSI-ZACQAIPSSA-N 2 0 292.471 2.619 20 0 CFADRP Cc1cc(C)n([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000363460265 524552039 /nfs/dbraw/zinc/55/20/39/524552039.db2.gz ZORLVQDWCJLIAG-DLBZAZTESA-N 2 0 290.455 2.621 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000157834229 524553806 /nfs/dbraw/zinc/55/38/06/524553806.db2.gz PKUHEFRJQOOFRF-LSDHHAIUSA-N 2 0 280.460 2.618 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000361481282 524558180 /nfs/dbraw/zinc/55/81/80/524558180.db2.gz LAEKHGWRHZPOCW-HOCLYGCPSA-N 2 0 276.424 2.774 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000361175483 524560987 /nfs/dbraw/zinc/56/09/87/524560987.db2.gz OHJWCHLQAGLSBR-QWHCGFSZSA-N 2 0 295.496 2.913 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000312159657 524564204 /nfs/dbraw/zinc/56/42/04/524564204.db2.gz MLEBDDBTXDCWKP-BBRMVZONSA-N 2 0 269.392 2.665 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCOCC[NH+]1[C@H](C)CC[C@H]1C ZINC000246547945 524578120 /nfs/dbraw/zinc/57/81/20/524578120.db2.gz MHSRBKRUDZSAMK-KLHDSHLOSA-N 2 0 268.445 2.749 20 0 CFADRP C[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000339408755 524589971 /nfs/dbraw/zinc/58/99/71/524589971.db2.gz VGWWKLSYZMFAGZ-GOEBONIOSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1[NH3+] ZINC000336459768 524621549 /nfs/dbraw/zinc/62/15/49/524621549.db2.gz AXTXKYSIDFOWFF-SWLSCSKDSA-N 2 0 274.408 2.569 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000334853647 524694309 /nfs/dbraw/zinc/69/43/09/524694309.db2.gz FPMXLUKFEPMOFH-XHDPSFHLSA-N 2 0 289.810 2.976 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222020264 524696889 /nfs/dbraw/zinc/69/68/89/524696889.db2.gz LJZCZBFEUBZDPY-XYPHTWIQSA-N 2 0 276.399 2.973 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC1CC[NH+](C)CC1 ZINC000157453424 524740290 /nfs/dbraw/zinc/74/02/90/524740290.db2.gz DYBRLLTVDWVISE-CYBMUJFWSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000050545530 524758666 /nfs/dbraw/zinc/75/86/66/524758666.db2.gz UZYYUZXLDINQLG-AWEZNQCLSA-N 2 0 262.372 2.708 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162244986 524894369 /nfs/dbraw/zinc/89/43/69/524894369.db2.gz LSWLBZMHBGTWIV-HOCLYGCPSA-N 2 0 276.424 2.739 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000360944029 524903897 /nfs/dbraw/zinc/90/38/97/524903897.db2.gz YCVCGBWNFWODAY-MLGOLLRUSA-N 2 0 289.398 2.779 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312034195 524975791 /nfs/dbraw/zinc/97/57/91/524975791.db2.gz OMLCQJFOCGQYKY-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000157069297 524992840 /nfs/dbraw/zinc/99/28/40/524992840.db2.gz GUBGHKRFRKWLHE-SNVBAGLBSA-N 2 0 254.324 2.524 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1[NH3+] ZINC000336459767 525000443 /nfs/dbraw/zinc/00/04/43/525000443.db2.gz AXTXKYSIDFOWFF-IUODEOHRSA-N 2 0 274.408 2.569 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000168674067 525011336 /nfs/dbraw/zinc/01/13/36/525011336.db2.gz PEEYDIVBQOGUAX-DGCLKSJQSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000168636399 525023669 /nfs/dbraw/zinc/02/36/69/525023669.db2.gz SEMZBOWFOUJEOZ-OCCSQVGLSA-N 2 0 271.364 2.511 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000216057327 525236474 /nfs/dbraw/zinc/23/64/74/525236474.db2.gz HQGZBHDOZGCISW-PWSUYJOCSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@]1(C[NH2+]C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000374280727 525265759 /nfs/dbraw/zinc/26/57/59/525265759.db2.gz RSTLDPAQDOYCDE-GOSISDBHSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000173428034 525295957 /nfs/dbraw/zinc/29/59/57/525295957.db2.gz USLRWZYNADYWKD-JKSUJKDBSA-N 2 0 288.435 2.838 20 0 CFADRP CSC1(C[NH2+]Cc2occc2C)CC[NH+](C)CC1 ZINC000353214360 525333574 /nfs/dbraw/zinc/33/35/74/525333574.db2.gz CYUAZDXSRPLYMR-UHFFFAOYSA-N 2 0 268.426 2.505 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000162775549 525336219 /nfs/dbraw/zinc/33/62/19/525336219.db2.gz FYTZBTGYXZKZTL-INIZCTEOSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H]([NH2+]CCCF)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309696786 525434849 /nfs/dbraw/zinc/43/48/49/525434849.db2.gz DPSIDWAIKOTDCV-ZBFHGGJFSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000361482416 525436304 /nfs/dbraw/zinc/43/63/04/525436304.db2.gz XSFVIBMWSIKJGE-HUUCEWRRSA-N 2 0 276.424 2.916 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000354862632 525708114 /nfs/dbraw/zinc/70/81/14/525708114.db2.gz IGDMWQCKGMHEFX-IRXDYDNUSA-N 2 0 282.472 2.735 20 0 CFADRP C[C@@H](O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000354862634 525753475 /nfs/dbraw/zinc/75/34/75/525753475.db2.gz IGDMWQCKGMHEFX-SJORKVTESA-N 2 0 282.472 2.735 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000222038771 525902649 /nfs/dbraw/zinc/90/26/49/525902649.db2.gz VIHNYJNNJFVFBS-JJRVBVJISA-N 2 0 276.424 2.556 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335024080 525973970 /nfs/dbraw/zinc/97/39/70/525973970.db2.gz VKCNSDBZVWHEMO-CQSZACIVSA-N 2 0 271.408 2.718 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335024078 525974699 /nfs/dbraw/zinc/97/46/99/525974699.db2.gz VKCNSDBZVWHEMO-AWEZNQCLSA-N 2 0 271.408 2.718 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261603000 526067064 /nfs/dbraw/zinc/06/70/64/526067064.db2.gz CCXSZQWTNPRLEJ-BNOWGMLFSA-N 2 0 296.361 2.890 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H](C)CC[NH3+] ZINC000220517782 526166387 /nfs/dbraw/zinc/16/63/87/526166387.db2.gz YBOALZHQHVQCQG-SNVBAGLBSA-N 2 0 271.202 2.584 20 0 CFADRP FC1(F)CC(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000336187784 526273158 /nfs/dbraw/zinc/27/31/58/526273158.db2.gz SUOLJEMJQWVCIO-AWEZNQCLSA-N 2 0 272.383 2.982 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423133339 526273929 /nfs/dbraw/zinc/27/39/29/526273929.db2.gz CWBJVNGSPUMKGS-SJORKVTESA-N 2 0 258.409 2.979 20 0 CFADRP Fc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000334871648 526332374 /nfs/dbraw/zinc/33/23/74/526332374.db2.gz ZACIKHDWTMGYQI-GDBMZVCRSA-N 2 0 262.372 2.790 20 0 CFADRP c1ccc(C2CCC([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000334849579 526462298 /nfs/dbraw/zinc/46/22/98/526462298.db2.gz WQSQJFOVWLFIGN-NDQLQDMOSA-N 2 0 256.393 2.520 20 0 CFADRP c1ccc(N[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000161550557 526483369 /nfs/dbraw/zinc/48/33/69/526483369.db2.gz KKYNORIHMWXFEF-QGZVFWFLSA-N 2 0 273.424 2.659 20 0 CFADRP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336309163 526591481 /nfs/dbraw/zinc/59/14/81/526591481.db2.gz REZPKJCJZQEPHA-UHFFFAOYSA-N 2 0 296.418 2.652 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422759210 526683594 /nfs/dbraw/zinc/68/35/94/526683594.db2.gz KMQNZUWNCFINDN-KLHDSHLOSA-N 2 0 282.472 2.935 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CCCCCC[NH3+])s1 ZINC000049538736 526752232 /nfs/dbraw/zinc/75/22/32/526752232.db2.gz SDHRMESRLQDZTK-JTQLQIEISA-N 2 0 255.431 2.930 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000261982333 527167304 /nfs/dbraw/zinc/16/73/04/527167304.db2.gz RLYLMEXGQFZCFO-UHFFFAOYSA-N 2 0 274.408 2.646 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccn1 ZINC000423146970 527175993 /nfs/dbraw/zinc/17/59/93/527175993.db2.gz QVOWFVYUTWONQU-UONOGXRCSA-N 2 0 261.413 2.609 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000084222309 527236581 /nfs/dbraw/zinc/23/65/81/527236581.db2.gz GEOCQCCCHOECBO-LDYMZIIASA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086404391 527358005 /nfs/dbraw/zinc/35/80/05/527358005.db2.gz RRPBQSHSORWFML-ZJUUUORDSA-N 2 0 289.242 2.870 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086403351 527358186 /nfs/dbraw/zinc/35/81/86/527358186.db2.gz QFXKYMVEUUZDPG-BDAKNGLRSA-N 2 0 289.242 2.870 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000228471544 527360515 /nfs/dbraw/zinc/36/05/15/527360515.db2.gz BVNNHRCEDDJSIY-GVDBMIGSSA-N 2 0 258.409 2.678 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013885 527395638 /nfs/dbraw/zinc/39/56/38/527395638.db2.gz DAFGVNNHMQOZPR-DOTOQJQBSA-N 2 0 273.424 2.794 20 0 CFADRP C(CN1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000161616499 527480696 /nfs/dbraw/zinc/48/06/96/527480696.db2.gz QKUFATALGWDANG-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP C(C[NH2+]C1CCCCCC1)[NH2+]C1CCSCC1 ZINC000414806290 527484610 /nfs/dbraw/zinc/48/46/10/527484610.db2.gz MURMDGGQRRLWGO-UHFFFAOYSA-N 2 0 256.459 2.784 20 0 CFADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423096808 527489688 /nfs/dbraw/zinc/48/96/88/527489688.db2.gz PXMLFDUGRPEUCX-IXEWLPCDSA-N 2 0 291.483 2.656 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000335149829 527569516 /nfs/dbraw/zinc/56/95/16/527569516.db2.gz GFAORUYQEZTAFB-QWHCGFSZSA-N 2 0 270.380 2.806 20 0 CFADRP CC(C)CC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422920906 527680586 /nfs/dbraw/zinc/68/05/86/527680586.db2.gz NWXLFYVXCMYQFD-OWCLPIDISA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422873541 527695157 /nfs/dbraw/zinc/69/51/57/527695157.db2.gz LMQAUQXLGCBQLM-GVDBMIGSSA-N 2 0 294.483 2.950 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422802757 527728655 /nfs/dbraw/zinc/72/86/55/527728655.db2.gz CAIKABDGPZPNMY-GUYCJALGSA-N 2 0 293.455 2.951 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CCO1 ZINC000414804459 527873757 /nfs/dbraw/zinc/87/37/57/527873757.db2.gz FBRJHBRGGZSRJZ-RRQGHBQHSA-N 2 0 276.424 3.000 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]2CCO[C@H]21 ZINC000422783528 527876989 /nfs/dbraw/zinc/87/69/89/527876989.db2.gz MZBJSCDUGXWHGZ-AALSBFMBSA-N 2 0 272.392 2.534 20 0 CFADRP CC1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC[NH2+]CC1 ZINC000423334001 527986998 /nfs/dbraw/zinc/98/69/98/527986998.db2.gz QFNGTBMPKGAFRJ-OAHLLOKOSA-N 2 0 277.387 2.651 20 0 CFADRP CC1(C[NH2+][C@@H]2CSCCc3ccccc32)CC[NH2+]CC1 ZINC000423333571 527988168 /nfs/dbraw/zinc/98/81/68/527988168.db2.gz QBTMGFRNGTWDCG-MRXNPFEDSA-N 2 0 290.476 2.996 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000414818692 528112546 /nfs/dbraw/zinc/11/25/46/528112546.db2.gz FTFMQASALJADLD-KBPBESRZSA-N 2 0 291.439 2.854 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000162396759 528114770 /nfs/dbraw/zinc/11/47/70/528114770.db2.gz OGVMOBNHKFRTSY-ZFWWWQNUSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423233931 528135912 /nfs/dbraw/zinc/13/59/12/528135912.db2.gz FAXHREWKDBNPSY-ACJLOTCBSA-N 2 0 298.434 2.968 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423243067 528144948 /nfs/dbraw/zinc/14/49/48/528144948.db2.gz MRMLCGZOMNTOQR-RHSMWYFYSA-N 2 0 277.456 2.917 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423244799 528145024 /nfs/dbraw/zinc/14/50/24/528145024.db2.gz NZXRFKGEPNVGGW-XJKSGUPXSA-N 2 0 263.429 2.527 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000423250062 528145114 /nfs/dbraw/zinc/14/51/14/528145114.db2.gz ULBYBDVGYPVBBX-FHLIZLRMSA-N 2 0 289.467 2.882 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422854736 528152896 /nfs/dbraw/zinc/15/28/96/528152896.db2.gz BJVATEDZJOMOOE-IRXDYDNUSA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422826693 528163192 /nfs/dbraw/zinc/16/31/92/528163192.db2.gz LTRXIDYYZAZGNX-YOEHRIQHSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423300621 528164397 /nfs/dbraw/zinc/16/43/97/528164397.db2.gz SBWLIZWTZNQPDN-KBPBESRZSA-N 2 0 264.413 2.967 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422830817 528171411 /nfs/dbraw/zinc/17/14/11/528171411.db2.gz DCGUKONJTKCFFM-UGUYLWEFSA-N 2 0 269.477 2.602 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422837990 528172215 /nfs/dbraw/zinc/17/22/15/528172215.db2.gz NJTGTXKFCLBVRC-TWMKSMIVSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)COc1cccc(C[NH2+]C(C)(C)CC[NH3+])c1 ZINC000422561771 528172762 /nfs/dbraw/zinc/17/27/62/528172762.db2.gz NHEYAPQXMHDCNP-UHFFFAOYSA-N 2 0 264.413 2.938 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422833437 528181713 /nfs/dbraw/zinc/18/17/13/528181713.db2.gz GWCWQIXWZCHJSD-FNNOIMFVSA-N 2 0 293.499 2.760 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414060778 528188536 /nfs/dbraw/zinc/18/85/36/528188536.db2.gz ADVAEUNCKWJRTN-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422874113 528246630 /nfs/dbraw/zinc/24/66/30/528246630.db2.gz MYCZITOGKDMLGR-HIFRSBDPSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422712966 528255051 /nfs/dbraw/zinc/25/50/51/528255051.db2.gz JEIBRVOHFGASIU-OLZOCXBDSA-N 2 0 250.386 2.689 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422712967 528257339 /nfs/dbraw/zinc/25/73/39/528257339.db2.gz JEIBRVOHFGASIU-QWHCGFSZSA-N 2 0 250.386 2.689 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OC ZINC000422738480 528284545 /nfs/dbraw/zinc/28/45/45/528284545.db2.gz YZDPBMCXUOAZFB-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP CC(C)c1nc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cs1 ZINC000423328277 528313362 /nfs/dbraw/zinc/31/33/62/528313362.db2.gz AOASOJMOYPEVCR-NSHDSACASA-N 2 0 265.426 2.837 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C)nn2)CC1 ZINC000414367237 528337829 /nfs/dbraw/zinc/33/78/29/528337829.db2.gz DEZMRMMXSYWCMB-UHFFFAOYSA-N 2 0 290.455 2.729 20 0 CFADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422706812 528347565 /nfs/dbraw/zinc/34/75/65/528347565.db2.gz GALIEIZXSFNDLM-BRWVUGGUSA-N 2 0 281.488 2.619 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414825808 528457610 /nfs/dbraw/zinc/45/76/10/528457610.db2.gz HTCTWVZNYIMTGI-OAHLLOKOSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCC(C)CC1 ZINC000422852930 528464001 /nfs/dbraw/zinc/46/40/01/528464001.db2.gz YHSNUNNVOGEAGL-DLBZAZTESA-N 2 0 283.504 2.850 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000423108055 528465733 /nfs/dbraw/zinc/46/57/33/528465733.db2.gz QRJUNKAWBVBDCH-ZDUSSCGKSA-N 2 0 282.815 2.970 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1c[nH+]ccc1N ZINC000422741152 528469646 /nfs/dbraw/zinc/46/96/46/528469646.db2.gz OHESKHZCOBACEO-LSDHHAIUSA-N 2 0 290.455 2.799 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423281638 528491078 /nfs/dbraw/zinc/49/10/78/528491078.db2.gz VGWLTPQILUGRSJ-HZPDHXFCSA-N 2 0 266.404 2.966 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423329422 528491421 /nfs/dbraw/zinc/49/14/21/528491421.db2.gz STTUKXIJXCICHW-HZPDHXFCSA-N 2 0 264.388 2.720 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423288969 528494879 /nfs/dbraw/zinc/49/48/79/528494879.db2.gz AEORCUVWKUZDFQ-WMLDXEAASA-N 2 0 286.423 2.717 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423284121 528530315 /nfs/dbraw/zinc/53/03/15/528530315.db2.gz XTTJLAOFRWFRNC-HNNXBMFYSA-N 2 0 297.393 2.507 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccccc1F ZINC000414794855 528531120 /nfs/dbraw/zinc/53/11/20/528531120.db2.gz MIRYGWBFPUXGQA-WFASDCNBSA-N 2 0 252.377 2.720 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419929261 528568774 /nfs/dbraw/zinc/56/87/74/528568774.db2.gz ZZRXIPAYFOLMGN-CQSZACIVSA-N 2 0 297.487 2.582 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)c(F)c1 ZINC000423299593 528588372 /nfs/dbraw/zinc/58/83/72/528588372.db2.gz BYMXNYJIVLQOCO-IINYFYTJSA-N 2 0 256.340 2.846 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423265211 528641679 /nfs/dbraw/zinc/64/16/79/528641679.db2.gz ZPNZCVNQDBOULE-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP CCOc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422885945 528654089 /nfs/dbraw/zinc/65/40/89/528654089.db2.gz ZQGAJIFJRQAMIH-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000414792224 528670918 /nfs/dbraw/zinc/67/09/18/528670918.db2.gz BYMUHBRVLGQPLH-AAEUAGOBSA-N 2 0 267.442 2.559 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000414902337 528685850 /nfs/dbraw/zinc/68/58/50/528685850.db2.gz HVKUVGOKRPMDKK-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP CCCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414911032 528757299 /nfs/dbraw/zinc/75/72/99/528757299.db2.gz WBMWEEQYZHALHM-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414897017 528758105 /nfs/dbraw/zinc/75/81/05/528758105.db2.gz CUKUASUOXXIGKU-QGZVFWFLSA-N 2 0 276.424 2.955 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414680359 528800374 /nfs/dbraw/zinc/80/03/74/528800374.db2.gz MYTHLZPAEAVKQF-HIFRSBDPSA-N 2 0 290.407 2.625 20 0 CFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422914664 528835494 /nfs/dbraw/zinc/83/54/94/528835494.db2.gz VJGWVCOYPSDEQY-HUUCEWRRSA-N 3 0 277.456 2.742 20 0 CFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422870716 528845011 /nfs/dbraw/zinc/84/50/11/528845011.db2.gz XYWDEHHAUBPNPO-LSDHHAIUSA-N 2 0 294.439 2.626 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422819500 528856025 /nfs/dbraw/zinc/85/60/25/528856025.db2.gz NBABSGQHNPFZSD-HOCLYGCPSA-N 3 0 269.477 2.604 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422749089 528913831 /nfs/dbraw/zinc/91/38/31/528913831.db2.gz XMLGVWDYGSICEJ-CBBWQLFWSA-N 2 0 256.434 2.545 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000414810839 528948124 /nfs/dbraw/zinc/94/81/24/528948124.db2.gz OPRFSRHMUADORZ-UHFFFAOYSA-N 2 0 296.484 2.527 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000414802460 528950006 /nfs/dbraw/zinc/95/00/06/528950006.db2.gz BMVHVMHGHRDQSU-ZDUSSCGKSA-N 2 0 264.413 2.733 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414805508 528951958 /nfs/dbraw/zinc/95/19/58/528951958.db2.gz GERNEKLPHFZQLI-DOTOQJQBSA-N 2 0 289.467 2.929 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423289712 528954277 /nfs/dbraw/zinc/95/42/77/528954277.db2.gz BQDMMJWAFRBWEN-IRXDYDNUSA-N 2 0 289.467 2.929 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423163038 528982220 /nfs/dbraw/zinc/98/22/20/528982220.db2.gz MFYOFNCGUPYOEP-LUKYLMHMSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+]1CCCCCC1 ZINC000422962173 529012907 /nfs/dbraw/zinc/01/29/07/529012907.db2.gz FEOTUBSJFHWLEF-ABHNRTSZSA-N 3 0 295.515 2.994 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccnc1 ZINC000422832649 529013484 /nfs/dbraw/zinc/01/34/84/529013484.db2.gz LHYHLYNHEJRBOG-HYVNUMGLSA-N 2 0 275.440 2.928 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422813710 529015351 /nfs/dbraw/zinc/01/53/51/529015351.db2.gz SFTRNHNDUIGFSD-LAVFITLUSA-N 2 0 290.451 2.768 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214569 529028779 /nfs/dbraw/zinc/02/87/79/529028779.db2.gz PDLDTCGHRPWTFY-ROUUACIJSA-N 2 0 290.451 2.817 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000423288257 529031219 /nfs/dbraw/zinc/03/12/19/529031219.db2.gz RGBNESSWQLUOCP-AWEZNQCLSA-N 2 0 252.377 2.720 20 0 CFADRP CCC1(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCOCC1 ZINC000414779582 529117632 /nfs/dbraw/zinc/11/76/32/529117632.db2.gz KLRVZQCLZOYJLB-CVEARBPZSA-N 2 0 280.456 2.515 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000423226073 529120853 /nfs/dbraw/zinc/12/08/53/529120853.db2.gz PIPWZPBPNODSAK-HZMBPMFUSA-N 2 0 256.340 2.989 20 0 CFADRP CC(C)[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423201746 529120982 /nfs/dbraw/zinc/12/09/82/529120982.db2.gz JHAJBWISGMDFCB-INIZCTEOSA-N 2 0 295.858 2.532 20 0 CFADRP CC[C@@H]([NH2+]CCCCc1nc(C)cs1)[C@@H]1CCC[NH2+]1 ZINC000422903608 529160920 /nfs/dbraw/zinc/16/09/20/529160920.db2.gz FUWUXZNKZNRRJQ-KGLIPLIRSA-N 2 0 281.469 2.894 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)[C@@H]1CC1(C)C ZINC000414055746 529160938 /nfs/dbraw/zinc/16/09/38/529160938.db2.gz CYJVYPFOURBJMH-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423180428 529161682 /nfs/dbraw/zinc/16/16/82/529161682.db2.gz NPPKXSUKVVMXQX-MRXNPFEDSA-N 2 0 295.858 2.676 20 0 CFADRP CC[C@@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422914018 529163165 /nfs/dbraw/zinc/16/31/65/529163165.db2.gz ZUAQMACUPWVRGP-CVEARBPZSA-N 2 0 264.388 2.879 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414185976 529168439 /nfs/dbraw/zinc/16/84/39/529168439.db2.gz OVBHNWMJLMISFH-UKRRQHHQSA-N 2 0 279.403 2.993 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(F)cc1C)[C@@H]1CCC[NH2+]1 ZINC000422865715 529169210 /nfs/dbraw/zinc/16/92/10/529169210.db2.gz PKBCPIGSZGWPTO-CVEARBPZSA-N 2 0 264.388 2.797 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccccc1OC(F)F ZINC000423295018 529171737 /nfs/dbraw/zinc/17/17/37/529171737.db2.gz DGMGBQXIUUYYRR-CMPLNLGQSA-N 2 0 272.339 2.924 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423279400 529172210 /nfs/dbraw/zinc/17/22/10/529172210.db2.gz SJMREMFQIDFMGU-SWLSCSKDSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC1(C)C ZINC000423428881 529204223 /nfs/dbraw/zinc/20/42/23/529204223.db2.gz JQUYZVWOJXELLM-GBJTYRQASA-N 2 0 250.430 2.789 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)Cc1cc(F)cc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423162430 529205363 /nfs/dbraw/zinc/20/53/63/529205363.db2.gz LFXLJHBEPFSWLY-JLZZUVOBSA-N 2 0 294.414 2.886 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422820349 529216625 /nfs/dbraw/zinc/21/66/25/529216625.db2.gz QBQFWQCINVIGGB-DFKRWLTFSA-N 2 0 268.470 2.923 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422728169 529274214 /nfs/dbraw/zinc/27/42/14/529274214.db2.gz IUEBVAMGLDLIQB-XDNAFOTISA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000423159668 529287253 /nfs/dbraw/zinc/28/72/53/529287253.db2.gz PQBXHDGJNCKWNL-ILXRZTDVSA-N 2 0 256.434 2.546 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423162938 529308715 /nfs/dbraw/zinc/30/87/15/529308715.db2.gz VAPZZFPZTLBXSH-NQNKBUKLSA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414785323 529312916 /nfs/dbraw/zinc/31/29/16/529312916.db2.gz SMEAEQXLNCCNPW-IKGGRYGDSA-N 2 0 294.483 2.890 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1ccccc1Cl ZINC000422837139 529368840 /nfs/dbraw/zinc/36/88/40/529368840.db2.gz LOIDPMJLWGLRHC-KWCYVHTRSA-N 2 0 282.815 2.967 20 0 CFADRP CC[C@](C)([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1nccs1 ZINC000414714785 529371355 /nfs/dbraw/zinc/37/13/55/529371355.db2.gz VRFAAHMTOUYVES-SCRDCRAPSA-N 2 0 267.442 2.746 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CC2)CC1 ZINC000507115894 534934939 /nfs/dbraw/zinc/93/49/39/534934939.db2.gz MGXFZGNBVSXGPM-UHFFFAOYSA-N 2 0 287.451 2.813 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000507216041 535214931 /nfs/dbraw/zinc/21/49/31/535214931.db2.gz SWMOKZVTAQDQET-UHFFFAOYSA-N 2 0 290.455 2.729 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453057690 535730680 /nfs/dbraw/zinc/73/06/80/535730680.db2.gz IUFLCDRTRDCNBV-MAUKXSAKSA-N 2 0 293.499 2.571 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453087758 535872652 /nfs/dbraw/zinc/87/26/52/535872652.db2.gz QBIYOKYWEYVELA-GOSISDBHSA-N 2 0 293.499 2.571 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459743913 535899698 /nfs/dbraw/zinc/89/96/98/535899698.db2.gz XFWDJUJHAGRUDP-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(C)ccc1OC ZINC000447601659 535903965 /nfs/dbraw/zinc/90/39/65/535903965.db2.gz QRZSEHGPMQFCHE-INIZCTEOSA-N 2 0 294.439 2.623 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000237060443 536040414 /nfs/dbraw/zinc/04/04/14/536040414.db2.gz KICTZZOHLZLXLO-SFHVURJKSA-N 2 0 297.402 2.561 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000444636794 536353160 /nfs/dbraw/zinc/35/31/60/536353160.db2.gz OGJRINLARHLETF-ZIAGYGMSSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000459789211 536385447 /nfs/dbraw/zinc/38/54/47/536385447.db2.gz QLFBDICVMQYHMF-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712290 536389930 /nfs/dbraw/zinc/38/99/30/536389930.db2.gz YSSZAKYTUWQUSC-NEPJUHHUSA-N 2 0 264.335 2.745 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1O ZINC000459587247 536479957 /nfs/dbraw/zinc/47/99/57/536479957.db2.gz LLDUMSCSVKLHQM-IAGOWNOFSA-N 2 0 290.451 2.648 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459740950 536526063 /nfs/dbraw/zinc/52/60/63/536526063.db2.gz URKSZHAZJRCKNA-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP COc1cc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000459782678 536574706 /nfs/dbraw/zinc/57/47/06/536574706.db2.gz MTVSASZUBFJPKT-OAHLLOKOSA-N 2 0 291.439 2.529 20 0 CFADRP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453056821 536893977 /nfs/dbraw/zinc/89/39/77/536893977.db2.gz LPNDCYPJTMECSA-RCCFBDPRSA-N 2 0 288.435 2.666 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000151947158 545554118 /nfs/dbraw/zinc/55/41/18/545554118.db2.gz KRRBZXAAJHMYRR-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000163809958 545589220 /nfs/dbraw/zinc/58/92/20/545589220.db2.gz AGYWUMALJQPHSM-CZUORRHYSA-N 2 0 261.413 2.853 20 0 CFADRP COC1(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)CCCCC1 ZINC000682995988 574087702 /nfs/dbraw/zinc/08/77/02/574087702.db2.gz HABIOCZVAFZHGZ-OAHLLOKOSA-N 2 0 277.412 2.869 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000742374781 574325777 /nfs/dbraw/zinc/32/57/77/574325777.db2.gz GVCAOSRVHJEZSK-GOEBONIOSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000396455674 574355318 /nfs/dbraw/zinc/35/53/18/574355318.db2.gz MLANCEYEADEOEL-TZMCWYRMSA-N 2 0 268.445 2.652 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000396465085 574355553 /nfs/dbraw/zinc/35/55/53/574355553.db2.gz OSJVSKWBSFTGIC-GFCCVEGCSA-N 2 0 280.387 2.654 20 0 CFADRP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000743271967 574356816 /nfs/dbraw/zinc/35/68/16/574356816.db2.gz IMTWEISUIDYZEK-KRWDZBQOSA-N 2 0 294.483 2.880 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000743850925 574373963 /nfs/dbraw/zinc/37/39/63/574373963.db2.gz WMODXZGXHZHIPH-WMZOPIPTSA-N 2 0 290.451 2.610 20 0 CFADRP C[C@@]1(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1(Cl)Cl ZINC000925695103 618943153 /nfs/dbraw/zinc/94/31/53/618943153.db2.gz WUMGSNXHGZRVLB-MWLCHTKSSA-N 2 0 265.228 2.691 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000051694620 618049184 /nfs/dbraw/zinc/04/91/84/618049184.db2.gz WQIJSIBQYDALGT-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051693765 618049347 /nfs/dbraw/zinc/04/93/47/618049347.db2.gz QLVQBBZSPURJCM-HIFPTAJRSA-N 2 0 278.396 2.624 20 0 CFADRP Cc1[nH+]ccc(N2CCC([NH+](C)C)CC2)c1Br ZINC000891779472 617747556 /nfs/dbraw/zinc/74/75/56/617747556.db2.gz LEHLSKMCKKOBNJ-UHFFFAOYSA-N 2 0 298.228 2.683 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088432473 617756046 /nfs/dbraw/zinc/75/60/46/617756046.db2.gz NTKNOBMJVGJGNZ-NSHDSACASA-N 2 0 252.324 2.780 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933736888 617764584 /nfs/dbraw/zinc/76/45/84/617764584.db2.gz KDKIPPNSQVSFFO-OKZBNKHCSA-N 2 0 288.435 2.648 20 0 CFADRP Cc1cccc(C)c1C[N@@H+](C)CCc1cncn1C ZINC000933764031 617771376 /nfs/dbraw/zinc/77/13/76/617771376.db2.gz KFCBIGBKOUYFKU-UHFFFAOYSA-N 2 0 257.381 2.711 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000891995309 617906927 /nfs/dbraw/zinc/90/69/27/617906927.db2.gz JEMOKCBFGGPTDS-HNNXBMFYSA-N 2 0 276.399 2.957 20 0 CFADRP Cc1cccc(CN[C@H](C)CC[NH3+])c1Br ZINC000235441943 617923383 /nfs/dbraw/zinc/92/33/83/617923383.db2.gz ZTNFKDLKLVFGPY-SNVBAGLBSA-N 2 0 271.202 2.584 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)o2)C[C@H]1C ZINC000892102190 617949895 /nfs/dbraw/zinc/94/98/95/617949895.db2.gz CVTMBTHTIFOLMV-OLZOCXBDSA-N 2 0 266.385 2.593 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2C2CC2)C[C@@H]1C ZINC000892104930 617952967 /nfs/dbraw/zinc/95/29/67/617952967.db2.gz UPNDFMRIWCXLMR-XJKSGUPXSA-N 2 0 290.455 2.602 20 0 CFADRP CC[N@H+](C[C@@H](O)c1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC000892105782 617954043 /nfs/dbraw/zinc/95/40/43/617954043.db2.gz RBWASBAILBOSNF-GOSISDBHSA-N 2 0 290.451 2.692 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)CO ZINC000926351256 617954196 /nfs/dbraw/zinc/95/41/96/617954196.db2.gz PYFBIIHLQKTYTH-ZBFHGGJFSA-N 2 0 282.472 2.780 20 0 CFADRP COc1ccc2c(N[C@@H](C)C[NH+](C)C)cc[nH+]c2c1 ZINC000804854588 618050919 /nfs/dbraw/zinc/05/09/19/618050919.db2.gz JAGAHDBRGJBSLM-NSHDSACASA-N 2 0 259.353 2.605 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926419281 618085193 /nfs/dbraw/zinc/08/51/93/618085193.db2.gz SEXAYXLUZDHZIB-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000926419276 618085259 /nfs/dbraw/zinc/08/52/59/618085259.db2.gz SEXAYXLUZDHZIB-IKGGRYGDSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000892286178 618089977 /nfs/dbraw/zinc/08/99/77/618089977.db2.gz DYQOKPABMGSLEX-CQSZACIVSA-N 2 0 297.402 2.918 20 0 CFADRP FC(F)(F)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051919383 618104942 /nfs/dbraw/zinc/10/49/42/618104942.db2.gz XBUIGZZJHPZXTI-RYUDHWBXSA-N 2 0 264.335 2.650 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000050267290 618105691 /nfs/dbraw/zinc/10/56/91/618105691.db2.gz JBPJHGIUSJISBB-CABCVRRESA-N 2 0 252.402 2.533 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000926115578 618116398 /nfs/dbraw/zinc/11/63/98/618116398.db2.gz VLUHTCDMNICLMO-GFCCVEGCSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000247987033 618192284 /nfs/dbraw/zinc/19/22/84/618192284.db2.gz IXSKDESDYBKBDY-MDASCCDHSA-N 2 0 298.430 2.946 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000308387369 618207592 /nfs/dbraw/zinc/20/75/92/618207592.db2.gz FUWQVAMQCXXBBV-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063200062 618208719 /nfs/dbraw/zinc/20/87/19/618208719.db2.gz KTAQAEQLHBBIHF-KRWDZBQOSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000235365799 618251159 /nfs/dbraw/zinc/25/11/59/618251159.db2.gz ZUKSWYWWVWTZRD-TZMCWYRMSA-N 2 0 250.361 2.646 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000925570149 618251421 /nfs/dbraw/zinc/25/14/21/618251421.db2.gz VXDNVTCTGMIEFE-NWDGAFQWSA-N 2 0 267.442 2.571 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925572796 618254253 /nfs/dbraw/zinc/25/42/53/618254253.db2.gz JXIWASJLHXRTDU-MSOLQXFVSA-N 2 0 287.451 2.690 20 0 CFADRP Cc1ccc(OCC[NH2+]CC2CC[NH+](C)CC2)c(C)c1 ZINC000892453737 618287665 /nfs/dbraw/zinc/28/76/65/618287665.db2.gz WSGIVKLWZWXYPB-UHFFFAOYSA-N 2 0 276.424 2.614 20 0 CFADRP CC1CC[NH+](CCCNCc2cn3ccnc3s2)CC1 ZINC000892460208 618296614 /nfs/dbraw/zinc/29/66/14/618296614.db2.gz OOSANHZVESATDE-UHFFFAOYSA-N 2 0 292.452 2.607 20 0 CFADRP CC[C@@H](COC)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110465 618306203 /nfs/dbraw/zinc/30/62/03/618306203.db2.gz MNMLRAJKMWUCLN-KKUMJFAQSA-N 2 0 277.412 2.583 20 0 CFADRP CC[C@H](COC)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110466 618306442 /nfs/dbraw/zinc/30/64/42/618306442.db2.gz MNMLRAJKMWUCLN-RBSFLKMASA-N 2 0 277.412 2.583 20 0 CFADRP CCC[C@](C)(O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925611090 618309369 /nfs/dbraw/zinc/30/93/69/618309369.db2.gz KFYWNWLZDQZDBD-HOTGVXAUSA-N 2 0 264.413 2.607 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)COC(C)=O ZINC000892467285 618311960 /nfs/dbraw/zinc/31/19/60/618311960.db2.gz XEYQTEZHUZEZST-AWEZNQCLSA-N 2 0 292.423 2.570 20 0 CFADRP Cc1cnc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895112123 618312312 /nfs/dbraw/zinc/31/23/12/618312312.db2.gz MASCBPRZTXYZGT-HDJSIYSDSA-N 2 0 286.379 2.655 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(CCC[C@@H]2CCO2)c2ccccn2)CC1 ZINC000895113425 618314177 /nfs/dbraw/zinc/31/41/77/618314177.db2.gz WEBJAYPJFYGGOA-BZUAXINKSA-N 2 0 289.423 2.727 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)c1ccco1 ZINC000925616394 618321291 /nfs/dbraw/zinc/32/12/91/618321291.db2.gz LMEKELPCOHABEC-KBMXLJTQSA-N 2 0 291.439 2.522 20 0 CFADRP Cc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000067453046 618323590 /nfs/dbraw/zinc/32/35/90/618323590.db2.gz HMNFVLMWJZOWSZ-IRXDYDNUSA-N 2 0 290.451 2.974 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)s1 ZINC000925618098 618327127 /nfs/dbraw/zinc/32/71/27/618327127.db2.gz SNMABHUPSYJHGF-JKSUJKDBSA-N 2 0 293.480 2.752 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925620549 618334824 /nfs/dbraw/zinc/33/48/24/618334824.db2.gz HPJADLAKNWROCR-JQFCIGGWSA-N 2 0 276.424 2.702 20 0 CFADRP CC(C)C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893320188 618336389 /nfs/dbraw/zinc/33/63/89/618336389.db2.gz PTWYJDZWXXCTSM-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925621626 618337748 /nfs/dbraw/zinc/33/77/48/618337748.db2.gz FRSLOVPJGOYSPY-SQNIBIBYSA-N 2 0 296.499 2.932 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(F)n1)c1ccccc1 ZINC000925622921 618340185 /nfs/dbraw/zinc/34/01/85/618340185.db2.gz QQKOSPGPXGDIFY-HNNXBMFYSA-N 2 0 273.355 2.791 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000894120303 618352822 /nfs/dbraw/zinc/35/28/22/618352822.db2.gz UUIDOJDKRYBHAI-ROUUACIJSA-N 2 0 290.451 2.676 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925629913 618356874 /nfs/dbraw/zinc/35/68/74/618356874.db2.gz MNROMKQNNWAGHZ-NILFDRSVSA-N 2 0 259.397 2.565 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925631980 618360044 /nfs/dbraw/zinc/36/00/44/618360044.db2.gz MQTTXNFXHIHBMG-KRWDZBQOSA-N 3 0 289.467 2.788 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])NC1CCCCC1 ZINC000052046822 618368632 /nfs/dbraw/zinc/36/86/32/618368632.db2.gz YWIXVBSAOPYNFS-AWEZNQCLSA-N 2 0 280.460 2.698 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925636516 618371674 /nfs/dbraw/zinc/37/16/74/618371674.db2.gz TTZVPONPDJTRND-ZACQAIPSSA-N 2 0 294.483 2.541 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000925643486 618381030 /nfs/dbraw/zinc/38/10/30/618381030.db2.gz JIQWRRFGROIWNQ-ZACQAIPSSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(O)cc(F)c1 ZINC000926665697 618382169 /nfs/dbraw/zinc/38/21/69/618382169.db2.gz KLAIGSJIGHPILK-COPLHBTASA-N 2 0 266.360 2.522 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925646715 618393232 /nfs/dbraw/zinc/39/32/32/618393232.db2.gz VHQDJJUTILGVJA-ZIAGYGMSSA-N 2 0 280.387 2.830 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925648443 618395925 /nfs/dbraw/zinc/39/59/25/618395925.db2.gz BOTALPLGERIUTE-DQVOVIAYSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2COc3ccccc32)C[C@@H]([NH3+])C1 ZINC000925668894 618436852 /nfs/dbraw/zinc/43/68/52/618436852.db2.gz LKQJZQZBRBGIJO-MJBXVCDLSA-N 2 0 274.408 2.658 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000925671165 618442189 /nfs/dbraw/zinc/44/21/89/618442189.db2.gz BKJRXGQACRDJJP-NWDGAFQWSA-N 2 0 260.372 2.932 20 0 CFADRP FC1(F)CC(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925675228 618446922 /nfs/dbraw/zinc/44/69/22/618446922.db2.gz UWARRVWOXFPYMB-KGLIPLIRSA-N 2 0 272.383 2.790 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCc2ccoc2)CC1 ZINC000926700366 618449747 /nfs/dbraw/zinc/44/97/47/618449747.db2.gz GFSNAHFGIZZFOW-UHFFFAOYSA-N 2 0 264.413 2.922 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000877696933 618456945 /nfs/dbraw/zinc/45/69/45/618456945.db2.gz BTWIWPDQBUJUAU-HIFRSBDPSA-N 2 0 270.486 2.838 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925680808 618460873 /nfs/dbraw/zinc/46/08/73/618460873.db2.gz USKWKNYCDNDCGJ-ZACQAIPSSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC1(F)F ZINC000925684063 618472154 /nfs/dbraw/zinc/47/21/54/618472154.db2.gz ZAKGSRXFOVEWPC-AFLAQZCCSA-N 2 0 258.356 2.527 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)C2)c1 ZINC000925684485 618472180 /nfs/dbraw/zinc/47/21/80/618472180.db2.gz AMKDTVNCZGTDSW-OTRWWLKZSA-N 2 0 286.419 2.801 20 0 CFADRP CC(C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000895211168 618478202 /nfs/dbraw/zinc/47/82/02/618478202.db2.gz XQSYZAMWWLEYIU-HNNXBMFYSA-N 2 0 298.471 2.532 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOCC2CCCC2)C1 ZINC000925685724 618479907 /nfs/dbraw/zinc/47/99/07/618479907.db2.gz OOGNNXYTDFOHLN-LSDHHAIUSA-N 2 0 268.445 2.689 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293265 618515927 /nfs/dbraw/zinc/51/59/27/618515927.db2.gz XKINIWVYUFBTAF-JCGVRSQUSA-N 2 0 278.377 2.639 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895293268 618515964 /nfs/dbraw/zinc/51/59/64/618515964.db2.gz XKINIWVYUFBTAF-VFVRVIDISA-N 2 0 278.377 2.639 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895296474 618518198 /nfs/dbraw/zinc/51/81/98/618518198.db2.gz LXHXLHBZDVUXDM-ZIAGYGMSSA-N 2 0 288.439 2.814 20 0 CFADRP C[C@@H](CCNC1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000895297477 618518792 /nfs/dbraw/zinc/51/87/92/618518792.db2.gz WWLFLEAFQDGUGL-HNNXBMFYSA-N 2 0 281.488 2.713 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000895376693 618555792 /nfs/dbraw/zinc/55/57/92/618555792.db2.gz IFSSLIRXQSFXAP-ZBFHGGJFSA-N 2 0 263.429 2.577 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000895381994 618560635 /nfs/dbraw/zinc/56/06/35/618560635.db2.gz YSQMMDRBKRVAEP-BZUAXINKSA-N 2 0 266.429 2.731 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000895434785 618580745 /nfs/dbraw/zinc/58/07/45/618580745.db2.gz VLSDGENTLJTOKZ-MUJYYYPQSA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926726660 618606742 /nfs/dbraw/zinc/60/67/42/618606742.db2.gz JNAQRVHNQBVVQJ-WQVCFCJDSA-N 2 0 262.397 2.576 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(CCOc2ccccc2C)C1 ZINC000177839606 618607912 /nfs/dbraw/zinc/60/79/12/618607912.db2.gz IYORUOROKRSQGJ-MRXNPFEDSA-N 2 0 276.424 2.647 20 0 CFADRP CCn1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000892585301 618643270 /nfs/dbraw/zinc/64/32/70/618643270.db2.gz UEZUYWAWWPKGHK-HNNXBMFYSA-N 2 0 292.471 2.956 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)COC(C)=O)c1 ZINC000892613219 618654045 /nfs/dbraw/zinc/65/40/45/618654045.db2.gz SKMRMGXQWXMAQT-AWEZNQCLSA-N 2 0 292.423 2.570 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000892662889 618681948 /nfs/dbraw/zinc/68/19/48/618681948.db2.gz OMBRVJTWAKXRRH-XYTVBORESA-N 2 0 288.435 2.977 20 0 CFADRP COc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000892674486 618694284 /nfs/dbraw/zinc/69/42/84/618694284.db2.gz VXPZZACDGCIGAB-CHWSQXEVSA-N 2 0 285.391 2.560 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000892679234 618701504 /nfs/dbraw/zinc/70/15/04/618701504.db2.gz MDDIYWABASLJOL-CQSZACIVSA-N 2 0 295.386 2.694 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2c(C)noc2C)[C@H](C)C1 ZINC000166146983 618702828 /nfs/dbraw/zinc/70/28/28/618702828.db2.gz WJWVZPPZIABJAL-MLGOLLRUSA-N 2 0 279.428 2.544 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(CCCOC)CCC2)C1 ZINC000892741920 618737512 /nfs/dbraw/zinc/73/75/12/618737512.db2.gz DDODVSMCQFYQJI-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000381769241 618740267 /nfs/dbraw/zinc/74/02/67/618740267.db2.gz JBWQUSGZIQBDRU-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H](Nc2cc(N)[nH+]cc2Cl)C1 ZINC000892822718 618751537 /nfs/dbraw/zinc/75/15/37/618751537.db2.gz JXYQZUFXLUNWDI-UWVGGRQHSA-N 2 0 268.792 2.602 20 0 CFADRP Cc1csc(CCCC[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000892858897 618759754 /nfs/dbraw/zinc/75/97/54/618759754.db2.gz YMDNFCGRAAYHLW-UHFFFAOYSA-N 2 0 281.469 2.706 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924609000 618766472 /nfs/dbraw/zinc/76/64/72/618766472.db2.gz IYORNRXUMOJBJS-FVQBIDKESA-N 2 0 262.397 2.817 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000311949882 618772317 /nfs/dbraw/zinc/77/23/17/618772317.db2.gz LEUCUEQIHOWOGB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2nnc(C(C)C)s2)CC1 ZINC000892935755 618772973 /nfs/dbraw/zinc/77/29/73/618772973.db2.gz CMNREFFCNKDQMG-UHFFFAOYSA-N 2 0 296.484 2.873 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)cn2)c1 ZINC000892937263 618773748 /nfs/dbraw/zinc/77/37/48/618773748.db2.gz CPCCJHUDHPPIQB-UHFFFAOYSA-N 2 0 299.418 2.832 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892939969 618774155 /nfs/dbraw/zinc/77/41/55/618774155.db2.gz XZIFUCVEPNYHOC-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000892944903 618776567 /nfs/dbraw/zinc/77/65/67/618776567.db2.gz WQWDLNOFMHFAFZ-MRXNPFEDSA-N 2 0 258.409 2.648 20 0 CFADRP CC(C)CCCC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892947719 618778415 /nfs/dbraw/zinc/77/84/15/618778415.db2.gz HRCSFANVHXCYQB-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)CCCC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892947720 618778587 /nfs/dbraw/zinc/77/85/87/618778587.db2.gz HRCSFANVHXCYQB-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccccc1F ZINC000893087234 618825397 /nfs/dbraw/zinc/82/53/97/618825397.db2.gz AJBIWQCAXCJWLI-CYBMUJFWSA-N 2 0 280.387 2.524 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000893094844 618829146 /nfs/dbraw/zinc/82/91/46/618829146.db2.gz QTEGWSJNTXQMBE-ZIAGYGMSSA-N 2 0 282.378 2.970 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C12CCC2 ZINC000925504287 618831278 /nfs/dbraw/zinc/83/12/78/618831278.db2.gz NSFMXWJNAIDLKX-CABCVRRESA-N 2 0 266.429 2.585 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925504289 618831297 /nfs/dbraw/zinc/83/12/97/618831297.db2.gz LKAHICMCIOKVKD-MGPQQGTHSA-N 2 0 295.496 2.846 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925509105 618842884 /nfs/dbraw/zinc/84/28/84/618842884.db2.gz LKMQGWSZZZZFSD-QGZVFWFLSA-N 2 0 298.434 2.609 20 0 CFADRP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925509718 618844653 /nfs/dbraw/zinc/84/46/53/618844653.db2.gz OMBMHXPIRHVAFY-IRXDYDNUSA-N 2 0 287.451 2.554 20 0 CFADRP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925510456 618848551 /nfs/dbraw/zinc/84/85/51/618848551.db2.gz WZFLHEVIHINVPZ-GOEBONIOSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000925511820 618850987 /nfs/dbraw/zinc/85/09/87/618850987.db2.gz VCDVFYLAOPFJLX-OAGGEKHMSA-N 2 0 281.488 2.602 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000925511821 618851199 /nfs/dbraw/zinc/85/11/99/618851199.db2.gz VCDVFYLAOPFJLX-OWCLPIDISA-N 2 0 281.488 2.602 20 0 CFADRP C[NH+](C)C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925512582 618851227 /nfs/dbraw/zinc/85/12/27/618851227.db2.gz DDRLITFYUFDGEQ-ULQDDVLXSA-N 2 0 289.467 2.785 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000925512819 618851796 /nfs/dbraw/zinc/85/17/96/618851796.db2.gz CHNKQXFKQSXFKD-ZIAGYGMSSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925514103 618852717 /nfs/dbraw/zinc/85/27/17/618852717.db2.gz LHCKXHZNFONFLR-OAGGEKHMSA-N 2 0 281.488 2.747 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1Cl ZINC000893169703 618861586 /nfs/dbraw/zinc/86/15/86/618861586.db2.gz UBCQGRYTSOWSOE-MRXNPFEDSA-N 2 0 296.842 2.959 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930555384 618862904 /nfs/dbraw/zinc/86/29/04/618862904.db2.gz MUYIYMTYINZLMP-HOTGVXAUSA-N 2 0 278.440 2.506 20 0 CFADRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092278564 618868112 /nfs/dbraw/zinc/86/81/12/618868112.db2.gz PPAKGLGMOOYCQI-OAHLLOKOSA-N 2 0 294.487 2.591 20 0 CFADRP Cc1nc(C[NH2+]C2CCC(C[NH+](C)C)CC2)sc1C ZINC000893187939 618871859 /nfs/dbraw/zinc/87/18/59/618871859.db2.gz VSDFAKAETKOAOU-UHFFFAOYSA-N 2 0 281.469 2.970 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccsc1 ZINC000925526961 618872854 /nfs/dbraw/zinc/87/28/54/618872854.db2.gz NFXYQYROSALMSF-SOUVJXGZSA-N 2 0 295.496 2.846 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccncc1 ZINC000925540406 618899161 /nfs/dbraw/zinc/89/91/61/618899161.db2.gz CHQMOIIAMVCMLY-ZTFGCOKTSA-N 2 0 287.451 2.943 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccncc1 ZINC000925540399 618899185 /nfs/dbraw/zinc/89/91/85/618899185.db2.gz CHQMOIIAMVCMLY-OLMNPRSZSA-N 2 0 287.451 2.943 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(F)c1 ZINC000925542145 618901448 /nfs/dbraw/zinc/90/14/48/618901448.db2.gz NOJPGZPVZJUEEU-VNQPRFMTSA-N 2 0 292.398 2.843 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925554771 618918477 /nfs/dbraw/zinc/91/84/77/618918477.db2.gz AWIIGUADOZPXTF-IRXDYDNUSA-N 2 0 291.439 2.592 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000925555312 618919596 /nfs/dbraw/zinc/91/95/96/618919596.db2.gz GNCNPOCHSNXHMY-IXDOHACOSA-N 2 0 294.483 2.779 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C12CCC2 ZINC000925556453 618921057 /nfs/dbraw/zinc/92/10/57/618921057.db2.gz KNZGYDZPAPGZGW-IAGOWNOFSA-N 2 0 283.419 2.960 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925563841 618927374 /nfs/dbraw/zinc/92/73/74/618927374.db2.gz WMMDTKOXYQGVOY-IAGOWNOFSA-N 2 0 273.424 2.648 20 0 CFADRP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925693937 618940410 /nfs/dbraw/zinc/94/04/10/618940410.db2.gz STXOLCGVAHEROT-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000925703863 618957956 /nfs/dbraw/zinc/95/79/56/618957956.db2.gz VQRVNILLWLULSM-VHSXEESVSA-N 2 0 265.228 2.691 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925705135 618959345 /nfs/dbraw/zinc/95/93/45/618959345.db2.gz HUQGCBYTRKBDPT-ROUUACIJSA-N 2 0 287.451 2.835 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925705136 618959443 /nfs/dbraw/zinc/95/94/43/618959443.db2.gz HUQGCBYTRKBDPT-ZWKOTPCHSA-N 2 0 287.451 2.835 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925706096 618960546 /nfs/dbraw/zinc/96/05/46/618960546.db2.gz FDRSALXYIAOIRL-LERXQTSPSA-N 2 0 296.361 2.592 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000925706800 618960882 /nfs/dbraw/zinc/96/08/82/618960882.db2.gz GPMRQWZTPCBDQL-MRXNPFEDSA-N 2 0 258.365 2.892 20 0 CFADRP Cc1ccncc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925710247 618964207 /nfs/dbraw/zinc/96/42/07/618964207.db2.gz WEBDXSIBNQMYQN-ROUUACIJSA-N 2 0 287.451 2.690 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1C ZINC000925711179 618965411 /nfs/dbraw/zinc/96/54/11/618965411.db2.gz MAORWTOYVGDJML-HZPDHXFCSA-N 2 0 258.409 2.705 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893400509 618968262 /nfs/dbraw/zinc/96/82/62/618968262.db2.gz FMGLPXJFJVTNAS-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CCc1ccccc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432981 618974484 /nfs/dbraw/zinc/97/44/84/618974484.db2.gz LHXDDERAMRZBDG-RYQLBKOJSA-N 2 0 272.436 2.891 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1 ZINC000925720783 618978420 /nfs/dbraw/zinc/97/84/20/618978420.db2.gz JFNUKNIAFWGWFR-DOTOQJQBSA-N 2 0 276.424 2.873 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000257644373 618984912 /nfs/dbraw/zinc/98/49/12/618984912.db2.gz BRJNBUCWKITCDS-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSC(F)(F)F)[C@H](C)C1 ZINC000178418065 619002501 /nfs/dbraw/zinc/00/25/01/619002501.db2.gz HFOCAQPYOQMVFY-NXEZZACHSA-N 2 0 270.364 2.559 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC000893494983 619019802 /nfs/dbraw/zinc/01/98/02/619019802.db2.gz UBZJKTPDUXNWDV-ZBFHGGJFSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H](N)[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000925736178 619045660 /nfs/dbraw/zinc/04/56/60/619045660.db2.gz ZPLZGLPZLJWUAD-YKWDICOMSA-N 2 0 289.467 2.927 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C12CCC2 ZINC000925737224 619046663 /nfs/dbraw/zinc/04/66/63/619046663.db2.gz QBTAEYWFTYAOBH-IJLUTSLNSA-N 2 0 258.356 2.671 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925738829 619048953 /nfs/dbraw/zinc/04/89/53/619048953.db2.gz ZWHCVUQSAMYRMZ-FKJOKYEKSA-N 2 0 258.356 2.685 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000094088917 619078174 /nfs/dbraw/zinc/07/81/74/619078174.db2.gz JYJVOBSIHCKSAL-QGLTVNCISA-N 2 0 250.361 2.616 20 0 CFADRP COc1ccc(F)cc1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925773897 619091175 /nfs/dbraw/zinc/09/11/75/619091175.db2.gz HTRSXPNWDLIEDZ-MRXNPFEDSA-N 2 0 292.398 2.641 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000925784670 619109988 /nfs/dbraw/zinc/10/99/88/619109988.db2.gz JYMFIBWXDORKQD-OHFALNGGSA-N 2 0 273.424 2.553 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(-c2ccccc2)nn1C ZINC000925786589 619111972 /nfs/dbraw/zinc/11/19/72/619111972.db2.gz PXOLPLDOCOKBQQ-FMKPAKJESA-N 2 0 298.434 2.593 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C12CCCC2 ZINC000925797423 619119609 /nfs/dbraw/zinc/11/96/09/619119609.db2.gz NYRNBUJZPGINCT-KLHDSHLOSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925799743 619120998 /nfs/dbraw/zinc/12/09/98/619120998.db2.gz DCHRRNTXQLQPIL-BACIZABKSA-N 2 0 280.481 2.766 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000925802786 619123290 /nfs/dbraw/zinc/12/32/90/619123290.db2.gz IWBYCILQYGUOLQ-KONPQCLYSA-N 2 0 287.451 2.943 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522040 619131324 /nfs/dbraw/zinc/13/13/24/619131324.db2.gz SBCDJYIQGCREFU-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814335 619132620 /nfs/dbraw/zinc/13/26/20/619132620.db2.gz KQTAEPKNNOHZTL-SJORKVTESA-N 2 0 283.419 2.884 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925824946 619146818 /nfs/dbraw/zinc/14/68/18/619146818.db2.gz XECAMGCYNLCKPK-GMRIPVOYSA-N 2 0 291.483 2.643 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893684320 619156059 /nfs/dbraw/zinc/15/60/59/619156059.db2.gz AUEUINFAYDOCSX-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000893684323 619156144 /nfs/dbraw/zinc/15/61/44/619156144.db2.gz AUEUINFAYDOCSX-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925828860 619159329 /nfs/dbraw/zinc/15/93/29/619159329.db2.gz JALGBIQXQIBRNZ-MROQNXINSA-N 2 0 294.361 2.607 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@]12CCC[C@H]1OCC2 ZINC000925830020 619160861 /nfs/dbraw/zinc/16/08/61/619160861.db2.gz DXWWTMYXUWTRES-WNRNVDISSA-N 2 0 292.467 2.704 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925830216 619161172 /nfs/dbraw/zinc/16/11/72/619161172.db2.gz GGSWKGRJYOPADM-HUUCEWRRSA-N 2 0 262.372 2.717 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925834866 619166131 /nfs/dbraw/zinc/16/61/31/619166131.db2.gz PBVRVNZYXWGQMK-GOEBONIOSA-N 2 0 298.430 2.979 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000261571498 619171523 /nfs/dbraw/zinc/17/15/23/619171523.db2.gz LCXGLRXCZBKQAB-BFHYXJOUSA-N 2 0 268.470 2.782 20 0 CFADRP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccn1 ZINC000094918206 619174517 /nfs/dbraw/zinc/17/45/17/619174517.db2.gz CDHSBYXSKCVBIL-MQVJKMGUSA-N 2 0 273.424 2.824 20 0 CFADRP C(CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925844694 619176590 /nfs/dbraw/zinc/17/65/90/619176590.db2.gz LOPIMAVGKQARCZ-QZTJIDSGSA-N 2 0 293.499 2.620 20 0 CFADRP CCCCCC[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852695 619183567 /nfs/dbraw/zinc/18/35/67/619183567.db2.gz FVYPBTGPOBJVFY-LSDHHAIUSA-N 2 0 296.455 2.620 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCSC3(CCC3)C2)C12CCC2 ZINC000925861439 619188057 /nfs/dbraw/zinc/18/80/57/619188057.db2.gz PTGSEIMPFKQHEY-XQQFMLRXSA-N 2 0 266.454 2.664 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCC(C)([NH+]3CCC3)CC1)[NH2+]2 ZINC000925862026 619188635 /nfs/dbraw/zinc/18/86/35/619188635.db2.gz VZRKCSVCNUBIAL-ACFGDAIXSA-N 3 0 291.483 2.512 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925871966 619193167 /nfs/dbraw/zinc/19/31/67/619193167.db2.gz MLYFGIBLYNSSNY-TWMKSMIVSA-N 2 0 285.435 2.969 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925871963 619193251 /nfs/dbraw/zinc/19/32/51/619193251.db2.gz MLYFGIBLYNSSNY-MWDXBVQZSA-N 2 0 285.435 2.969 20 0 CFADRP COC[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925872970 619193298 /nfs/dbraw/zinc/19/32/98/619193298.db2.gz CEAIQWAFEMVESA-SJORKVTESA-N 2 0 278.440 2.975 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2OCCc3ccccc32)C12CCC2 ZINC000925881808 619201433 /nfs/dbraw/zinc/20/14/33/619201433.db2.gz VAYNTILKUQMZIL-BRWVUGGUSA-N 2 0 286.419 2.550 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000925881483 619202204 /nfs/dbraw/zinc/20/22/04/619202204.db2.gz BSNYXWWOKBQZCC-SGIREYDYSA-N 2 0 262.372 2.920 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000894219327 619268856 /nfs/dbraw/zinc/26/88/56/619268856.db2.gz BEYXSRGLBWKHRB-SFHVURJKSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000894275049 619302240 /nfs/dbraw/zinc/30/22/40/619302240.db2.gz OEHOTMKPDAQSIW-MIFYACCESA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000924961849 619305232 /nfs/dbraw/zinc/30/52/32/619305232.db2.gz ZAMUBVIMFGWCME-IAGOWNOFSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000924965491 619308060 /nfs/dbraw/zinc/30/80/60/619308060.db2.gz XRESTXRRDAUKBC-CYBMUJFWSA-N 2 0 276.428 2.601 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924965746 619308306 /nfs/dbraw/zinc/30/83/06/619308306.db2.gz PGOJEFUVJFGMIQ-RYRKJORJSA-N 2 0 293.499 2.737 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000894295594 619313686 /nfs/dbraw/zinc/31/36/86/619313686.db2.gz RLEKYABZJHKTBA-QWHCGFSZSA-N 2 0 291.266 2.844 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261915814 619314137 /nfs/dbraw/zinc/31/41/37/619314137.db2.gz JXDMUPBMOIUGRL-IPYPFGDCSA-N 2 0 264.388 2.988 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCSCc1ccccc1 ZINC000261940612 619336059 /nfs/dbraw/zinc/33/60/59/619336059.db2.gz MODLLWMNNRCLNC-HIFRSBDPSA-N 2 0 264.438 2.589 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCSCc1ccccc1 ZINC000261940610 619336148 /nfs/dbraw/zinc/33/61/48/619336148.db2.gz MODLLWMNNRCLNC-DZGCQCFKSA-N 2 0 264.438 2.589 20 0 CFADRP CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925045857 619356114 /nfs/dbraw/zinc/35/61/14/619356114.db2.gz YUHMIAPBUVYWBU-RHSMWYFYSA-N 2 0 278.440 2.806 20 0 CFADRP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925046735 619356365 /nfs/dbraw/zinc/35/63/65/619356365.db2.gz RKXGRCFADDEDTO-RDJZCZTQSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000925052559 619359900 /nfs/dbraw/zinc/35/99/00/619359900.db2.gz UPYRHLNTJOBBPL-CQSZACIVSA-N 2 0 276.424 2.704 20 0 CFADRP c1oc(-c2ccccc2)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262004063 619365013 /nfs/dbraw/zinc/36/50/13/619365013.db2.gz LPWQQBJNUAFXOT-UHFFFAOYSA-N 2 0 297.402 2.917 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000894454928 619390748 /nfs/dbraw/zinc/39/07/48/619390748.db2.gz CHGLKHLMWZGOPM-RBSFLKMASA-N 2 0 250.430 2.885 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1cn(C)nc1C1CCCC1 ZINC000894472272 619392644 /nfs/dbraw/zinc/39/26/44/619392644.db2.gz RXOXYWAWVYZNRD-UHFFFAOYSA-N 2 0 292.471 2.851 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894479337 619397383 /nfs/dbraw/zinc/39/73/83/619397383.db2.gz ODGAZXBICNFINM-OAHLLOKOSA-N 2 0 291.439 2.709 20 0 CFADRP CCCN(CCC[NH+](C)C)C[C@H]1C[C@@]1(C)Br ZINC000894480744 619397434 /nfs/dbraw/zinc/39/74/34/619397434.db2.gz JTGDXNPBYYOZHI-CHWSQXEVSA-N 2 0 291.277 2.824 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000894496394 619403338 /nfs/dbraw/zinc/40/33/38/619403338.db2.gz PSWGTXZSRVSDBA-AEFFLSMTSA-N 2 0 288.435 2.920 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H]2C)CC1 ZINC000894643261 619434966 /nfs/dbraw/zinc/43/49/66/619434966.db2.gz WAJWPSQRPMTBBN-NVXWUHKLSA-N 2 0 282.472 2.638 20 0 CFADRP Nc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c(Cl)c[nH+]1 ZINC000894767886 619459029 /nfs/dbraw/zinc/45/90/29/619459029.db2.gz ALVPRPYVJJQDCS-NSHDSACASA-N 2 0 280.803 2.746 20 0 CFADRP CSc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000894783799 619466732 /nfs/dbraw/zinc/46/67/32/619466732.db2.gz XUXXVGDBYQCRDE-JSGCOSHPSA-N 2 0 280.437 2.918 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000925091634 619497471 /nfs/dbraw/zinc/49/74/71/619497471.db2.gz ZLUUKAGVCWHBBY-MRXNPFEDSA-N 2 0 284.488 2.884 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000895587040 619561625 /nfs/dbraw/zinc/56/16/25/619561625.db2.gz GHFKKOAAVUSBHZ-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)OC ZINC000895671785 619582985 /nfs/dbraw/zinc/58/29/85/619582985.db2.gz OPBPKEMYMLYZKV-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CO[C@@](C)(C[N@H+](C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000895683208 619585921 /nfs/dbraw/zinc/58/59/21/619585921.db2.gz JCWKINOPLKIVGO-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000895766416 619598616 /nfs/dbraw/zinc/59/86/16/619598616.db2.gz VWFUISMFUKRHAL-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP COCCCC1(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCC1 ZINC000895846201 619621084 /nfs/dbraw/zinc/62/10/84/619621084.db2.gz ZSEVYNCIYDEJSZ-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP Brc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000070600503 625363643 /nfs/dbraw/zinc/36/36/43/625363643.db2.gz KWCJNONFDUVQKK-SECBINFHSA-N 2 0 289.242 2.600 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)CC1 ZINC000896227047 619696477 /nfs/dbraw/zinc/69/64/77/619696477.db2.gz KMGVESNEWVEFQC-MSOLQXFVSA-N 2 0 270.420 2.602 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCSc2ccccc2)CC1 ZINC000054243255 619862360 /nfs/dbraw/zinc/86/23/60/619862360.db2.gz AJORSKAJQHAJGL-UHFFFAOYSA-N 2 0 264.438 2.710 20 0 CFADRP COc1ccc2[nH+]ccc(N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)c2c1 ZINC000896912128 619882909 /nfs/dbraw/zinc/88/29/09/619882909.db2.gz OAADKCOITONMBU-SCLBCKFNSA-N 2 0 297.402 2.631 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@]2(c3ccccc3)CCCO2)CC1 ZINC000897233259 619955914 /nfs/dbraw/zinc/95/59/14/619955914.db2.gz JMASMLFQOYRZSO-SFHVURJKSA-N 2 0 288.435 2.624 20 0 CFADRP CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925151854 619981479 /nfs/dbraw/zinc/98/14/79/619981479.db2.gz DRUGUKKXWRIASR-YOEHRIQHSA-N 2 0 278.440 2.806 20 0 CFADRP COC(=O)CCC1([NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000897337592 620000164 /nfs/dbraw/zinc/00/01/64/620000164.db2.gz ZOMKKLFPQMJRDU-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000035015408 620024958 /nfs/dbraw/zinc/02/49/58/620024958.db2.gz OVFHTZGJOHLHPO-RCCFBDPRSA-N 2 0 293.499 2.572 20 0 CFADRP CSC1CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000925215086 620026855 /nfs/dbraw/zinc/02/68/55/620026855.db2.gz CCIUBDQXUIKSLJ-UHFFFAOYSA-N 2 0 268.470 2.877 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)CC1 ZINC000897474321 620181336 /nfs/dbraw/zinc/18/13/36/620181336.db2.gz QEPLQWAIGBAUPG-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)[C@@H](C)C1 ZINC000897475726 620181915 /nfs/dbraw/zinc/18/19/15/620181915.db2.gz AZMIUCLTEVMSAO-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000897508763 620197828 /nfs/dbraw/zinc/19/78/28/620197828.db2.gz SBFSBEBNOLICFR-JKSUJKDBSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1ccc(F)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841032338 620259244 /nfs/dbraw/zinc/25/92/44/620259244.db2.gz RREJEUFZRHJSFA-UHFFFAOYSA-N 2 0 272.367 2.925 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621868 620261113 /nfs/dbraw/zinc/26/11/13/620261113.db2.gz XGOMFGQDLUENSD-LUKYLMHMSA-N 2 0 262.441 2.862 20 0 CFADRP C[N@@H+]1C[C@@H]2CN(Cc3ccc4cnccc4c3)C[C@]2(C)C1 ZINC000897620096 620261924 /nfs/dbraw/zinc/26/19/24/620261924.db2.gz HEFBQAYCGLBCHC-MSOLQXFVSA-N 2 0 281.403 2.618 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)C[C@]2(C)C1 ZINC000897620499 620262386 /nfs/dbraw/zinc/26/23/86/620262386.db2.gz QNNIWCCLRZSGDF-WBVHZDCISA-N 2 0 269.392 2.551 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)n(-c2cc[nH+]cc2)n1 ZINC000897959734 620312055 /nfs/dbraw/zinc/31/20/55/620312055.db2.gz WVIMOFRMQOUJMP-APHBMKBZSA-N 2 0 268.364 2.546 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(C)c1OC(F)F ZINC000841037371 620315584 /nfs/dbraw/zinc/31/55/84/620315584.db2.gz ONNSZFVYMRBKBT-ZDUSSCGKSA-N 2 0 298.377 2.994 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898010996 620316780 /nfs/dbraw/zinc/31/67/80/620316780.db2.gz LMMNVWWOCIANSY-VSVYTNTFSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CC(CCO)C3)CC2)C1 ZINC000898011364 620316925 /nfs/dbraw/zinc/31/69/25/620316925.db2.gz QBFCOCWSBKMMKA-OBHHBEAMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898204444 620345020 /nfs/dbraw/zinc/34/50/20/620345020.db2.gz UPNHDSZUIASBQV-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298661 620367515 /nfs/dbraw/zinc/36/75/15/620367515.db2.gz RHOIFIOVSUTHDC-UHFFFAOYSA-N 2 0 298.390 2.526 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000898298544 620367556 /nfs/dbraw/zinc/36/75/56/620367556.db2.gz OGXXAPDUMXHNMB-INIZCTEOSA-N 2 0 298.390 2.526 20 0 CFADRP CSCC(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000898305898 620369516 /nfs/dbraw/zinc/36/95/16/620369516.db2.gz XEIMSZKJVAYMDC-UHFFFAOYSA-N 2 0 296.480 2.858 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000926946247 620429291 /nfs/dbraw/zinc/42/92/91/620429291.db2.gz ANMSKRVKLGCTOP-QWQWKMKNSA-N 2 0 276.346 2.647 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000926946248 620429341 /nfs/dbraw/zinc/42/93/41/620429341.db2.gz ANMSKRVKLGCTOP-WJTVCTBASA-N 2 0 276.346 2.647 20 0 CFADRP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000926960883 620432530 /nfs/dbraw/zinc/43/25/30/620432530.db2.gz RCDUORQAFVXXBG-ZMSDIMECSA-N 2 0 273.424 2.661 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Br)cs1 ZINC000873258599 620441298 /nfs/dbraw/zinc/44/12/98/620441298.db2.gz SELBQRKDBKNCHN-NRPADANISA-N 2 0 289.242 2.899 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CCCO)C[NH+]1CCCC1 ZINC000924716898 620452275 /nfs/dbraw/zinc/45/22/75/620452275.db2.gz RQHDEOJHSWPVMN-ZACQAIPSSA-N 2 0 282.472 2.639 20 0 CFADRP COC(=O)C1(CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000898408489 620460717 /nfs/dbraw/zinc/46/07/17/620460717.db2.gz RFSGLYCKMPTVTG-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927129981 620460998 /nfs/dbraw/zinc/46/09/98/620460998.db2.gz QUMFIFYOMMBEDH-FVQBIDKESA-N 2 0 278.440 2.551 20 0 CFADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899324387 620543889 /nfs/dbraw/zinc/54/38/89/620543889.db2.gz LSLXFMZFPAIQCA-INIZCTEOSA-N 2 0 298.434 2.920 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000183146556 625435369 /nfs/dbraw/zinc/43/53/69/625435369.db2.gz PCRDXICPKZAPIP-UKRRQHHQSA-N 2 0 280.412 2.556 20 0 CFADRP [NH3+]C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)C1CCCCCC1 ZINC000900010537 620622401 /nfs/dbraw/zinc/62/24/01/620622401.db2.gz SNUHSBJNCLCJKC-QWHCGFSZSA-N 2 0 278.400 2.507 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000902078537 620969560 /nfs/dbraw/zinc/96/95/60/620969560.db2.gz NEAWVZJJGPQRNN-HNNXBMFYSA-N 2 0 275.440 2.858 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000902225728 621001798 /nfs/dbraw/zinc/00/17/98/621001798.db2.gz XTBJVCJGCYKXLN-AWEZNQCLSA-N 2 0 261.413 2.550 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902318062 621022913 /nfs/dbraw/zinc/02/29/13/621022913.db2.gz GFTYUEKWJGRSDM-CQSZACIVSA-N 2 0 256.434 2.561 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1C ZINC000902325978 621036543 /nfs/dbraw/zinc/03/65/43/621036543.db2.gz BANFNJDZCGYPCM-INIZCTEOSA-N 2 0 290.451 2.914 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333670 621039663 /nfs/dbraw/zinc/03/96/63/621039663.db2.gz MBYHKQCRIHJUGE-INIZCTEOSA-N 2 0 276.424 2.701 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000902334208 621040224 /nfs/dbraw/zinc/04/02/24/621040224.db2.gz OZROWGHSUFLTTF-GJZGRUSLSA-N 2 0 296.842 2.741 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902335999 621040912 /nfs/dbraw/zinc/04/09/12/621040912.db2.gz VQDFDVNXOFMBEC-HUUCEWRRSA-N 2 0 270.461 2.805 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N(C)c1ccccc1 ZINC000902338534 621042163 /nfs/dbraw/zinc/04/21/63/621042163.db2.gz MXJZHPHUWIFKHM-JKSUJKDBSA-N 2 0 289.467 2.879 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccnn1C ZINC000902378205 621047089 /nfs/dbraw/zinc/04/70/89/621047089.db2.gz VJMJGVYDEYZYTL-CABCVRRESA-N 2 0 292.471 2.528 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)sc1C ZINC000902350670 621048111 /nfs/dbraw/zinc/04/81/11/621048111.db2.gz UUPVPULSTXLDST-ZDUSSCGKSA-N 2 0 281.469 2.670 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359831 621052383 /nfs/dbraw/zinc/05/23/83/621052383.db2.gz HEMAFXBWIPNDBL-DZGCQCFKSA-N 2 0 276.424 2.691 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000902361857 621053123 /nfs/dbraw/zinc/05/31/23/621053123.db2.gz MQGPBLSPFUCLLK-NEPJUHHUSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1 ZINC000902363378 621053617 /nfs/dbraw/zinc/05/36/17/621053617.db2.gz LVCUMYWKITYXTF-LSDHHAIUSA-N 2 0 276.424 2.822 20 0 CFADRP CCC(CC)[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902364732 621054320 /nfs/dbraw/zinc/05/43/20/621054320.db2.gz USGKGUASESYZGW-JKSUJKDBSA-N 2 0 283.504 2.721 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1C ZINC000902406303 621054827 /nfs/dbraw/zinc/05/48/27/621054827.db2.gz RLDWKMKGKDBHEM-UKRRQHHQSA-N 2 0 262.397 2.796 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)C1 ZINC000902406286 621055194 /nfs/dbraw/zinc/05/51/94/621055194.db2.gz RDDWKGLRTRJJIC-KRWDZBQOSA-N 3 0 295.515 2.914 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902392835 621063715 /nfs/dbraw/zinc/06/37/15/621063715.db2.gz KGGVNAPSONITRA-XJKSGUPXSA-N 3 0 275.440 2.574 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902396674 621064877 /nfs/dbraw/zinc/06/48/77/621064877.db2.gz GBBCKFYXKNGKAV-CYBMUJFWSA-N 2 0 282.453 2.762 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC000902398853 621065994 /nfs/dbraw/zinc/06/59/94/621065994.db2.gz KGRHTUFJKWKEME-GHMZBOCLSA-N 2 0 279.255 2.938 20 0 CFADRP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)OCC ZINC000902400549 621067459 /nfs/dbraw/zinc/06/74/59/621067459.db2.gz SULWFDPJXUNUTM-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000902402894 621068327 /nfs/dbraw/zinc/06/83/27/621068327.db2.gz PAQWWPRTOYRWRL-LJISPDSOSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc2c(c1)CCO2 ZINC000902403431 621068867 /nfs/dbraw/zinc/06/88/67/621068867.db2.gz GUUBTUDKAZVULR-XFBWCDHKSA-N 2 0 272.392 2.542 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2nc3c(s2)CCC3)C1 ZINC000902403464 621068986 /nfs/dbraw/zinc/06/89/86/621068986.db2.gz GYMOTPUJWCHSIK-GFCCVEGCSA-N 2 0 293.480 2.542 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(CC3CC3)CC2)C1 ZINC000902403878 621069724 /nfs/dbraw/zinc/06/97/24/621069724.db2.gz UAEGUVQYXPLWSP-CQSZACIVSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000902429362 621075899 /nfs/dbraw/zinc/07/58/99/621075899.db2.gz JWXYYKAGWKTUPC-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])OC1 ZINC000902428908 621075961 /nfs/dbraw/zinc/07/59/61/621075961.db2.gz HYHSFNAZROAPFB-KFWWJZLASA-N 2 0 268.445 2.831 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000902428982 621075980 /nfs/dbraw/zinc/07/59/80/621075980.db2.gz IWJCUYRYULHNSQ-NXEZZACHSA-N 2 0 256.777 2.564 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000902429336 621076184 /nfs/dbraw/zinc/07/61/84/621076184.db2.gz FCCNONQTMTYBMG-RRFJBIMHSA-N 2 0 250.430 2.933 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])OC1 ZINC000902428910 621076216 /nfs/dbraw/zinc/07/62/16/621076216.db2.gz HYHSFNAZROAPFB-RBSFLKMASA-N 2 0 268.445 2.831 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@H](C2CC2)O1 ZINC000902430145 621076732 /nfs/dbraw/zinc/07/67/32/621076732.db2.gz OZXXTCUUCQCOQH-MDMSPXHWSA-N 2 0 292.467 2.844 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902429400 621076805 /nfs/dbraw/zinc/07/68/05/621076805.db2.gz KLCPQPQVMJDFDD-XUWVNRHRSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CCOCC1 ZINC000902432867 621078121 /nfs/dbraw/zinc/07/81/21/621078121.db2.gz RLUSIHXFDLIJEG-CABCVRRESA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCOCC1 ZINC000902434676 621078815 /nfs/dbraw/zinc/07/88/15/621078815.db2.gz YZDVPGFBLKZXAM-PMPSAXMXSA-N 2 0 294.483 2.805 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902446018 621083502 /nfs/dbraw/zinc/08/35/02/621083502.db2.gz NUSKXFGHVDBTLD-GTGGMXTKSA-N 2 0 254.443 2.663 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902413384 621083641 /nfs/dbraw/zinc/08/36/41/621083641.db2.gz LAAJAZDPNLGKMS-CQSZACIVSA-N 2 0 264.438 2.884 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902446019 621083683 /nfs/dbraw/zinc/08/36/83/621083683.db2.gz NUSKXFGHVDBTLD-YEKKKDRXSA-N 2 0 254.443 2.663 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)C1 ZINC000902474231 621086001 /nfs/dbraw/zinc/08/60/01/621086001.db2.gz DHKHOLFCJKWPBJ-IREHDKGXSA-N 2 0 291.483 2.512 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475329 621086689 /nfs/dbraw/zinc/08/66/89/621086689.db2.gz IKBNPJPQJUXGRQ-LTIDMASMSA-N 2 0 276.399 2.875 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902476202 621087595 /nfs/dbraw/zinc/08/75/95/621087595.db2.gz NNASEKZFIBVXEV-SOVHRIKKSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902450037 621091366 /nfs/dbraw/zinc/09/13/66/621091366.db2.gz CAFZKBIFANFOGF-UPJWGTAASA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902450036 621091640 /nfs/dbraw/zinc/09/16/40/621091640.db2.gz CAFZKBIFANFOGF-JHJVBQTASA-N 2 0 256.459 2.638 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000902452743 621092496 /nfs/dbraw/zinc/09/24/96/621092496.db2.gz AIAOEULTFMVKFU-KOLCDFICSA-N 2 0 276.409 2.717 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCS1 ZINC000902454742 621093779 /nfs/dbraw/zinc/09/37/79/621093779.db2.gz UNVZVGJJJMVXHW-WOPDTQHZSA-N 2 0 254.443 2.520 20 0 CFADRP FC1(F)CC[C@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000902457486 621094580 /nfs/dbraw/zinc/09/45/80/621094580.db2.gz SEMAIZDDWBAZPK-NEPJUHHUSA-N 2 0 258.356 2.686 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902461062 621096015 /nfs/dbraw/zinc/09/60/15/621096015.db2.gz LFUWTEZVFYZULI-KBPBESRZSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)c2ccccc21 ZINC000902462353 621096742 /nfs/dbraw/zinc/09/67/42/621096742.db2.gz UZZAMRXYMKUQLV-OSMBCOQSSA-N 2 0 284.403 2.680 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902462381 621096984 /nfs/dbraw/zinc/09/69/84/621096984.db2.gz VMJUUIAGNACXNY-UAGQMJEPSA-N 2 0 290.451 2.882 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCC(F)(F)CC1 ZINC000902463984 621097844 /nfs/dbraw/zinc/09/78/44/621097844.db2.gz CCBWAMVIUOHOBI-GWNIPJSYSA-N 2 0 258.356 2.683 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@H]2CCCCC[NH2+]2)CC1 ZINC000902482960 621109629 /nfs/dbraw/zinc/10/96/29/621109629.db2.gz ODLQFLFHHNOSPT-WXRRBKDZSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)c1 ZINC000902486812 621112028 /nfs/dbraw/zinc/11/20/28/621112028.db2.gz CGCYNAQMPSYOPT-IJLUTSLNSA-N 2 0 284.350 2.984 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CCCS2 ZINC000902488495 621112496 /nfs/dbraw/zinc/11/24/96/621112496.db2.gz YSVWVXHDNMQKIN-LALPHHSUSA-N 2 0 292.448 2.949 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(OC(F)F)c1 ZINC000902488601 621112647 /nfs/dbraw/zinc/11/26/47/621112647.db2.gz NMUAYJVZOMUXCI-CKYFFXLPSA-N 2 0 270.323 2.676 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOc1cccc(F)c1 ZINC000902516089 621115088 /nfs/dbraw/zinc/11/50/88/621115088.db2.gz BDSKQECQRYYVOG-IHXNAJNRSA-N 2 0 292.398 2.700 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902753016 621165357 /nfs/dbraw/zinc/16/53/57/621165357.db2.gz NTGIAVGRJPJPRN-JKSUJKDBSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902780724 621172163 /nfs/dbraw/zinc/17/21/63/621172163.db2.gz PTXHZUGDCHDMBF-PVAVHDDUSA-N 2 0 282.472 2.902 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902808490 621175468 /nfs/dbraw/zinc/17/54/68/621175468.db2.gz JNQHYTDFROARQZ-BZUAXINKSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902788871 621176621 /nfs/dbraw/zinc/17/66/21/621176621.db2.gz FTBIVZBPIHUQDL-NNPSNHGLSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902793517 621178229 /nfs/dbraw/zinc/17/82/29/621178229.db2.gz JRUFWLMLYNXAJP-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]CCCCn2ccnc2C)C1 ZINC000902819069 621181051 /nfs/dbraw/zinc/18/10/51/621181051.db2.gz QGQQFKBVWYMATP-HOTGVXAUSA-N 2 0 279.428 2.909 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CCCCn2ccnc2C)C1 ZINC000902819070 621181063 /nfs/dbraw/zinc/18/10/63/621181063.db2.gz QGQQFKBVWYMATP-HZPDHXFCSA-N 2 0 279.428 2.909 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000902978859 621216587 /nfs/dbraw/zinc/21/65/87/621216587.db2.gz LFSDKRFFIRWDNR-RDHHWEPZSA-N 2 0 280.456 2.941 20 0 CFADRP CCCn1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)nn1 ZINC000903000290 621224904 /nfs/dbraw/zinc/22/49/04/621224904.db2.gz IZGNFPOZYBBCKX-OAHLLOKOSA-N 2 0 293.459 2.605 20 0 CFADRP C(CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC[NH+]1CCCC1 ZINC000903001885 621226016 /nfs/dbraw/zinc/22/60/16/621226016.db2.gz ZDRDCHRHSMHINN-NNPSNHGLSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903057038 621236158 /nfs/dbraw/zinc/23/61/58/621236158.db2.gz ABHBCGDVWKNHIS-VHRNVKJDSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@H]1C ZINC000903067883 621239895 /nfs/dbraw/zinc/23/98/95/621239895.db2.gz XSRPHHTYLNAECH-OWSLCNJRSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCCCC1 ZINC000903075546 621243931 /nfs/dbraw/zinc/24/39/31/621243931.db2.gz ZBXYBOXCOCFHPY-UNPWZGGWSA-N 2 0 291.483 2.608 20 0 CFADRP C(COC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903083577 621246366 /nfs/dbraw/zinc/24/63/66/621246366.db2.gz JJDCACSIRHVWAK-VHRNVKJDSA-N 2 0 278.440 2.693 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000903073749 621250879 /nfs/dbraw/zinc/25/08/79/621250879.db2.gz QFAIVLVQZRPKMA-LUKYLMHMSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000903098552 621251985 /nfs/dbraw/zinc/25/19/85/621251985.db2.gz QFWMZSJJJXEJAY-MCIONIFRSA-N 2 0 256.434 2.510 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000903104188 621254473 /nfs/dbraw/zinc/25/44/73/621254473.db2.gz RTHQGZYEQLBSQP-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000903124631 621261992 /nfs/dbraw/zinc/26/19/92/621261992.db2.gz HUFCBGLUIUHDIR-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903131619 621263766 /nfs/dbraw/zinc/26/37/66/621263766.db2.gz JJRRPSDMXLTBNF-IBWRZXHSSA-N 2 0 278.440 2.549 20 0 CFADRP c1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)nc1 ZINC000903161745 621271304 /nfs/dbraw/zinc/27/13/04/621271304.db2.gz XBLQJLCRTRFOGP-GOSISDBHSA-N 2 0 285.435 2.997 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000903160995 621271487 /nfs/dbraw/zinc/27/14/87/621271487.db2.gz CIOJJBBUGCZEQW-OJLVUWQFSA-N 2 0 250.430 2.743 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@H]2CCC[C@@H]21 ZINC000903164759 621272075 /nfs/dbraw/zinc/27/20/75/621272075.db2.gz PMPAYUXSANMLHU-MDOLAMBHSA-N 2 0 262.441 2.885 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903147895 621272387 /nfs/dbraw/zinc/27/23/87/621272387.db2.gz UAJYAPJKADBNLN-INIZCTEOSA-N 2 0 273.424 2.854 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1(C)C ZINC000903165921 621272431 /nfs/dbraw/zinc/27/24/31/621272431.db2.gz YNSXTHXTPXYHPF-AJNGGQMLSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCOC12CCCC2)C1CC1 ZINC000903183161 621277337 /nfs/dbraw/zinc/27/73/37/621277337.db2.gz LDHIMDXWFWLIGP-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000903184110 621277840 /nfs/dbraw/zinc/27/78/40/621277840.db2.gz UNBLXLUGIVYJPO-PPHJYPGKSA-N 2 0 260.425 2.780 20 0 CFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OCC1CC1 ZINC000903185369 621278607 /nfs/dbraw/zinc/27/86/07/621278607.db2.gz ITZZVCSKWDKAPY-ZXFUBFMLSA-N 2 0 292.467 2.939 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H](C)O1 ZINC000903185138 621278702 /nfs/dbraw/zinc/27/87/02/621278702.db2.gz HSWVGSWFMIHZGL-VBQMHKBWSA-N 2 0 278.440 2.547 20 0 CFADRP CCC[C@H](C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195430 621281269 /nfs/dbraw/zinc/28/12/69/621281269.db2.gz YBADUKOGQIUGHY-PPHJYPGKSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195147 621281514 /nfs/dbraw/zinc/28/15/14/621281514.db2.gz VLQMUNLXASSDBI-JMBBZFAESA-N 2 0 266.454 2.628 20 0 CFADRP COC1([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903190751 621286692 /nfs/dbraw/zinc/28/66/92/621286692.db2.gz ZDUTZNHXXYXJEZ-WPXLMEDKSA-N 2 0 278.440 2.691 20 0 CFADRP CCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OCC ZINC000903205967 621287771 /nfs/dbraw/zinc/28/77/71/621287771.db2.gz NJDZNIUXHUZPQF-CVGRLMLNSA-N 2 0 280.456 2.939 20 0 CFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903208109 621288235 /nfs/dbraw/zinc/28/82/35/621288235.db2.gz ZOXTWVGDCQFMCF-GDRKESKWSA-N 2 0 278.440 2.546 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000903212122 621289502 /nfs/dbraw/zinc/28/95/02/621289502.db2.gz KAZBFDGDPXKYNU-HZPDHXFCSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2c(C)cc(CO)cc2C)CC1 ZINC000903308155 621326294 /nfs/dbraw/zinc/32/62/94/621326294.db2.gz OQJWMYAVEWIYCA-UHFFFAOYSA-N 2 0 290.451 2.760 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903394715 621352734 /nfs/dbraw/zinc/35/27/34/621352734.db2.gz GFIOHUZLBSSZMV-OHFALNGGSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccnc1 ZINC000903381400 621355755 /nfs/dbraw/zinc/35/57/55/621355755.db2.gz WFIDAZFUFLHNFK-PQEBFOHHSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903384637 621355882 /nfs/dbraw/zinc/35/58/82/621355882.db2.gz RYMGHZUIMPPKFM-XJKSGUPXSA-N 2 0 261.413 2.853 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000903383109 621356160 /nfs/dbraw/zinc/35/61/60/621356160.db2.gz JQUVSHRCUDLCGC-INIZCTEOSA-N 2 0 261.413 2.997 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000903400209 621368065 /nfs/dbraw/zinc/36/80/65/621368065.db2.gz MXVPLDYTEPXLEB-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)C1CC[NH+](C)CC1 ZINC000903428796 621371403 /nfs/dbraw/zinc/37/14/03/621371403.db2.gz QOAQRPWZAYSXKY-DYVFJYSZSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000903434282 621373039 /nfs/dbraw/zinc/37/30/39/621373039.db2.gz ADADTYFRAUQEHA-GMRIPVOYSA-N 2 0 294.483 2.902 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)C1 ZINC000903434820 621373423 /nfs/dbraw/zinc/37/34/23/621373423.db2.gz KXNJTVVYDHONIO-HPBDAGMYSA-N 2 0 288.435 2.702 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000903435701 621373806 /nfs/dbraw/zinc/37/38/06/621373806.db2.gz WHMPOYCUTUIPRY-CFVMTHIKSA-N 2 0 288.391 2.680 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903437392 621374736 /nfs/dbraw/zinc/37/47/36/621374736.db2.gz HRMJAXYMTFYIRN-RDBSUJKOSA-N 2 0 256.459 2.721 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000903438482 621375463 /nfs/dbraw/zinc/37/54/63/621375463.db2.gz WJODRHYSPVCUHE-ZMSDIMECSA-N 2 0 276.399 2.818 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439486 621376205 /nfs/dbraw/zinc/37/62/05/621376205.db2.gz IGSNZNZFHVWDPF-KFWWJZLASA-N 2 0 274.408 2.612 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](c2ccsc2)O1 ZINC000903440115 621376435 /nfs/dbraw/zinc/37/64/35/621376435.db2.gz TWNXNBJQFVIKMB-UXOAXIEHSA-N 2 0 280.437 2.637 20 0 CFADRP C[N@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1CC[NH2+]CC1 ZINC000903421572 621378231 /nfs/dbraw/zinc/37/82/31/621378231.db2.gz OUAPVIGIYLDVRQ-HUUCEWRRSA-N 2 0 280.362 2.719 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000903422926 621378915 /nfs/dbraw/zinc/37/89/15/621378915.db2.gz RZYFTVFJNUXCIQ-ARFHVFGLSA-N 2 0 298.434 2.605 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903422828 621378996 /nfs/dbraw/zinc/37/89/96/621378996.db2.gz JLMXBPNXTCPZSJ-UHFFFAOYSA-N 2 0 257.381 2.599 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903459207 621380599 /nfs/dbraw/zinc/38/05/99/621380599.db2.gz DUXCPKAFKYZTQI-ZIAGYGMSSA-N 2 0 290.398 2.640 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000903458642 621380631 /nfs/dbraw/zinc/38/06/31/621380631.db2.gz GDDMGGWNPJKEBI-IVMMDQJWSA-N 2 0 262.397 2.591 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CC[NH2+]CC2 ZINC000903460047 621381095 /nfs/dbraw/zinc/38/10/95/621381095.db2.gz VPNDLAHWAYHDTJ-YIYPIFLZSA-N 2 0 284.394 2.742 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC3CC2(c2ccccc2)C3)C1 ZINC000903464899 621381891 /nfs/dbraw/zinc/38/18/91/621381891.db2.gz ZDDMJPNXMFZDFB-DKVOJFQGSA-N 2 0 256.393 2.735 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903463636 621382163 /nfs/dbraw/zinc/38/21/63/621382163.db2.gz HGHIRHNVVIGWAC-INWMFGNUSA-N 2 0 292.398 2.827 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442727 621382500 /nfs/dbraw/zinc/38/25/00/621382500.db2.gz ZWLVECOVDKKRMZ-TVFCKZIOSA-N 3 0 293.499 2.700 20 0 CFADRP CC1([NH3+])CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903450617 621386449 /nfs/dbraw/zinc/38/64/49/621386449.db2.gz YCDCTEYOWGPCRX-ZIAGYGMSSA-N 2 0 280.362 2.849 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000903452488 621387330 /nfs/dbraw/zinc/38/73/30/621387330.db2.gz NGTWGSSGYVKEDX-OAHLLOKOSA-N 2 0 264.438 2.969 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COCc1ccccc1 ZINC000903473093 621389676 /nfs/dbraw/zinc/38/96/76/621389676.db2.gz ZTJMUYYHWCCOHF-DOTOQJQBSA-N 2 0 288.435 2.714 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC3(CCSCC3)CC2)C1 ZINC000903477356 621391243 /nfs/dbraw/zinc/39/12/43/621391243.db2.gz ZMVCXIUVXKBQSZ-UONOGXRCSA-N 2 0 268.470 2.723 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903482210 621392463 /nfs/dbraw/zinc/39/24/63/621392463.db2.gz ZJMNQUXBXDRTHM-RYUDHWBXSA-N 2 0 260.372 2.932 20 0 CFADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000903565608 621396838 /nfs/dbraw/zinc/39/68/38/621396838.db2.gz NOZDXPSMJIIOAT-AWEZNQCLSA-N 2 0 256.434 2.785 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903717727 621424518 /nfs/dbraw/zinc/42/45/18/621424518.db2.gz UUHVHHMGPXFKFL-JHJVBQTASA-N 2 0 296.377 2.792 20 0 CFADRP C[N@@H+](Cc1ccccc1Cl)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717783 621425023 /nfs/dbraw/zinc/42/50/23/621425023.db2.gz DJJYNNSQWLENHL-GOEBONIOSA-N 2 0 294.826 2.540 20 0 CFADRP CC(C)[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903722407 621426727 /nfs/dbraw/zinc/42/67/27/621426727.db2.gz ACYCPACDWXEODZ-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cccc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903723212 621426756 /nfs/dbraw/zinc/42/67/56/621426756.db2.gz FUCDZIXDRQKFRL-QGZVFWFLSA-N 2 0 288.435 2.586 20 0 CFADRP C[C@@H]1CCC[C@H]([N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723561 621427065 /nfs/dbraw/zinc/42/70/65/621427065.db2.gz INKNVTNUCZUVFL-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+](C1CC1)C1CCCCC1 ZINC000903725316 621427694 /nfs/dbraw/zinc/42/76/94/621427694.db2.gz YQIYPPRMTLKAFO-SJORKVTESA-N 2 0 278.440 2.552 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903729065 621428790 /nfs/dbraw/zinc/42/87/90/621428790.db2.gz JJZMEDCKXKJREX-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729012 621428795 /nfs/dbraw/zinc/42/87/95/621428795.db2.gz JECPQENEWAAALI-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](CCC1CCCCC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727683 621428927 /nfs/dbraw/zinc/42/89/27/621428927.db2.gz XBDLIMJULSSEJK-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729007 621429018 /nfs/dbraw/zinc/42/90/18/621429018.db2.gz JCYXZFPSEDXUKA-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728383 621429040 /nfs/dbraw/zinc/42/90/40/621429040.db2.gz AEOLFOPWSISCJY-LTIDMASMSA-N 2 0 292.467 2.798 20 0 CFADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000903728671 621429081 /nfs/dbraw/zinc/42/90/81/621429081.db2.gz DRLQKIHMUQYBKG-CRAIPNDOSA-N 2 0 272.436 2.865 20 0 CFADRP c1cc2c(s1)CCC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903729888 621429388 /nfs/dbraw/zinc/42/93/88/621429388.db2.gz SGDFQZNWAGXQDK-ZDUSSCGKSA-N 2 0 264.438 2.886 20 0 CFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732243 621430365 /nfs/dbraw/zinc/43/03/65/621430365.db2.gz DNANKHATXQVWDH-YYIAUSFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000903748865 621432294 /nfs/dbraw/zinc/43/22/94/621432294.db2.gz BYVHMQOSWJNRRL-WBVHZDCISA-N 2 0 258.409 2.994 20 0 CFADRP CC(C)CC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733909 621433682 /nfs/dbraw/zinc/43/36/82/621433682.db2.gz SGYRMUYEZPHNKL-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734303 621433777 /nfs/dbraw/zinc/43/37/77/621433777.db2.gz PXSRVRFRNCKKAB-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903735234 621433811 /nfs/dbraw/zinc/43/38/11/621433811.db2.gz YQOXUAIWNFFZAE-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903744705 621435733 /nfs/dbraw/zinc/43/57/33/621435733.db2.gz XFNZEHXWOXUFIT-QWRGUYRKSA-N 2 0 286.778 2.527 20 0 CFADRP CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903763276 621436623 /nfs/dbraw/zinc/43/66/23/621436623.db2.gz JOYITHJYSRPMGI-BRWVUGGUSA-N 2 0 280.456 2.800 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000903763187 621436693 /nfs/dbraw/zinc/43/66/93/621436693.db2.gz HVRMKEUFQGDHJY-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000903763184 621436793 /nfs/dbraw/zinc/43/67/93/621436793.db2.gz HVRMKEUFQGDHJY-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903765506 621437028 /nfs/dbraw/zinc/43/70/28/621437028.db2.gz IWEPUAJSJYURKZ-KLHKWILBSA-N 2 0 270.420 2.997 20 0 CFADRP C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903765477 621437402 /nfs/dbraw/zinc/43/74/02/621437402.db2.gz IEPKMRFWUCBQPR-RCCFBDPRSA-N 2 0 292.467 2.800 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903767525 621437443 /nfs/dbraw/zinc/43/74/43/621437443.db2.gz GSSQBUVLKDVFRM-QWHCGFSZSA-N 2 0 294.361 2.547 20 0 CFADRP Cc1cc(C)cc(C[N@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903756251 621438477 /nfs/dbraw/zinc/43/84/77/621438477.db2.gz PNGHORAWCODIMZ-ROUUACIJSA-N 2 0 288.435 2.504 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](C/C=C/Cl)CC1 ZINC000903792718 621438958 /nfs/dbraw/zinc/43/89/58/621438958.db2.gz HICVAGYTFOZBRS-RUDMXATFSA-N 2 0 264.800 2.731 20 0 CFADRP Cc1cncc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000903790920 621439272 /nfs/dbraw/zinc/43/92/72/621439272.db2.gz HNGKLVKYQKHYCQ-UHFFFAOYSA-N 2 0 295.430 2.883 20 0 CFADRP Cc1ccncc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793346 621439414 /nfs/dbraw/zinc/43/94/14/621439414.db2.gz RJTULAAZZYRKSQ-UHFFFAOYSA-N 2 0 295.430 2.883 20 0 CFADRP C[C@@H]1C[C@H](C)CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903787805 621442173 /nfs/dbraw/zinc/44/21/73/621442173.db2.gz ZSXGIAXURLDNPU-OAGGEKHMSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903788060 621442362 /nfs/dbraw/zinc/44/23/62/621442362.db2.gz BEIYFPQYHVPKDC-HUUCEWRRSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1cncc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903813247 621447867 /nfs/dbraw/zinc/44/78/67/621447867.db2.gz ZMWHIJHJBRDWCG-INIZCTEOSA-N 2 0 273.424 2.874 20 0 CFADRP C[C@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)CC(C)(C)C ZINC000903818593 621448283 /nfs/dbraw/zinc/44/82/83/621448283.db2.gz PMOILFUBCWAWQZ-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1noc(C[C@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000903825348 621450175 /nfs/dbraw/zinc/45/01/75/621450175.db2.gz ZKTBFIDZXYHQRR-OAHLLOKOSA-N 2 0 294.443 2.542 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)nc1 ZINC000903830952 621451655 /nfs/dbraw/zinc/45/16/55/621451655.db2.gz CBGVXINDOUNJDK-QGZVFWFLSA-N 2 0 289.423 2.617 20 0 CFADRP c1csc(C[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000903831415 621451723 /nfs/dbraw/zinc/45/17/23/621451723.db2.gz JMRDWBQQROSYCO-OAHLLOKOSA-N 2 0 293.480 2.787 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1cccc(F)c1)C2 ZINC000903843600 621454439 /nfs/dbraw/zinc/45/44/39/621454439.db2.gz OFOAJPWRARDBOU-IMJJTQAJSA-N 2 0 262.372 2.570 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000903862642 621459163 /nfs/dbraw/zinc/45/91/63/621459163.db2.gz AZHVMMKKHHWGKX-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000903864748 621459637 /nfs/dbraw/zinc/45/96/37/621459637.db2.gz WMHGZERUEVZLSH-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP COCC[N@@H+](Cc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903877068 621462747 /nfs/dbraw/zinc/46/27/47/621462747.db2.gz KUVXABAZJOXNOL-GOOCMWNKSA-N 2 0 294.464 2.727 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1)C1CC[NH2+]CC1 ZINC000903876530 621462841 /nfs/dbraw/zinc/46/28/41/621462841.db2.gz YTTWSNQUFMOTOQ-SJORKVTESA-N 2 0 280.456 2.515 20 0 CFADRP COc1ccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000903876705 621462890 /nfs/dbraw/zinc/46/28/90/621462890.db2.gz HPISYQUHIZAMRD-GOOCMWNKSA-N 2 0 292.398 2.797 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903876557 621462898 /nfs/dbraw/zinc/46/28/98/621462898.db2.gz YWCVNHCEGBGUNJ-CVEARBPZSA-N 2 0 268.445 2.644 20 0 CFADRP Fc1cccc2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903896618 621466508 /nfs/dbraw/zinc/46/65/08/621466508.db2.gz WAFWZZBGZWMZOZ-LQDVMPOASA-N 2 0 274.383 2.714 20 0 CFADRP CC[C@](C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903898355 621466971 /nfs/dbraw/zinc/46/69/71/621466971.db2.gz KCYLCEFOMKEFOC-JSGCOSHPSA-N 2 0 256.340 2.884 20 0 CFADRP Fc1cc(F)c2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903899911 621467661 /nfs/dbraw/zinc/46/76/61/621467661.db2.gz YNHIOKZLNUEMHY-PHTAMDTFSA-N 2 0 292.373 2.854 20 0 CFADRP CCC[N@H+](CCN(CC)CC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906734 621469512 /nfs/dbraw/zinc/46/95/12/621469512.db2.gz YZFLTWDLISHFEP-ALOPSCKCSA-N 2 0 281.488 2.571 20 0 CFADRP COCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[C@H](C)C1 ZINC000903912748 621472119 /nfs/dbraw/zinc/47/21/19/621472119.db2.gz IWPDPIUWCLDPNI-UCHQMPSGSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2C[NH2+]1 ZINC000903919979 621473136 /nfs/dbraw/zinc/47/31/36/621473136.db2.gz QQYCPLVRJMBING-YTTRVJOFSA-N 2 0 285.435 2.515 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921553 621473498 /nfs/dbraw/zinc/47/34/98/621473498.db2.gz PCBXXKWCIKCKQU-PLTIAYLTSA-N 2 0 286.419 2.803 20 0 CFADRP [NH3+]CCCN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000903921590 621473742 /nfs/dbraw/zinc/47/37/42/621473742.db2.gz PXLJECKKAZPQAN-VHRNVKJDSA-N 2 0 291.414 2.512 20 0 CFADRP CCCC[C@@H](CCC)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903923402 621474066 /nfs/dbraw/zinc/47/40/66/621474066.db2.gz SVAACYAQPAHDIW-HUUCEWRRSA-N 2 0 293.459 2.651 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924914 621474149 /nfs/dbraw/zinc/47/41/49/621474149.db2.gz KDTNPKQRABJTJQ-SXBLYGPUSA-N 2 0 274.383 2.933 20 0 CFADRP CC[C@@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Oc1ccccc1C ZINC000903923357 621474564 /nfs/dbraw/zinc/47/45/64/621474564.db2.gz ROUIGJAFIBHEMB-OLZOCXBDSA-N 2 0 286.366 2.725 20 0 CFADRP CC1(C)C[C@@]1(NC[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903934087 621477117 /nfs/dbraw/zinc/47/71/17/621477117.db2.gz ZUFJVENZBLEWBU-IUODEOHRSA-N 2 0 268.351 2.884 20 0 CFADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])c(SC)cc1OC ZINC000903938675 621478119 /nfs/dbraw/zinc/47/81/19/621478119.db2.gz GVNCYDGTXFYXPT-UHFFFAOYSA-N 2 0 298.452 2.643 20 0 CFADRP COc1cccc2cc(C[NH2+]CCC(C)(C)[NH3+])oc21 ZINC000903938427 621478165 /nfs/dbraw/zinc/47/81/65/621478165.db2.gz AAPRQPQISZSUOA-UHFFFAOYSA-N 2 0 262.353 2.658 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957324 621478913 /nfs/dbraw/zinc/47/89/13/621478913.db2.gz PUUOYWWTGKUYNJ-BDAKNGLRSA-N 2 0 274.277 2.552 20 0 CFADRP C[C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000903959942 621480525 /nfs/dbraw/zinc/48/05/25/621480525.db2.gz SJCOQNDVTYSURS-OZVIIMIRSA-N 2 0 262.372 2.791 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000903941076 621482531 /nfs/dbraw/zinc/48/25/31/621482531.db2.gz NVVDWPOAMZQMDR-UHFFFAOYSA-N 2 0 276.302 2.802 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903940840 621482557 /nfs/dbraw/zinc/48/25/57/621482557.db2.gz FZCXCECBANXXCM-UHFFFAOYSA-N 2 0 272.396 2.602 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000903946003 621483362 /nfs/dbraw/zinc/48/33/62/621483362.db2.gz CUXKKXIKOWOACR-UHFFFAOYSA-N 2 0 269.392 2.938 20 0 CFADRP F[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903947797 621484995 /nfs/dbraw/zinc/48/49/95/621484995.db2.gz IEMBQKADBFAKFY-HZPDHXFCSA-N 2 0 262.372 2.601 20 0 CFADRP F[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903947796 621485124 /nfs/dbraw/zinc/48/51/24/621485124.db2.gz IEMBQKADBFAKFY-HOTGVXAUSA-N 2 0 262.372 2.601 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000903948409 621485552 /nfs/dbraw/zinc/48/55/52/621485552.db2.gz PUSZUYMVZOEDIG-SJORKVTESA-N 3 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2c3ccccc3NC2(C)C)CC[NH2+]1 ZINC000903948617 621485658 /nfs/dbraw/zinc/48/56/58/621485658.db2.gz SJJCGOYPNVCZFI-IOASZLSFSA-N 2 0 273.424 2.910 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3cc(F)c(F)cc3C2)CC[NH2+]1 ZINC000903948147 621485714 /nfs/dbraw/zinc/48/57/14/621485714.db2.gz LRGYIHABUDPFHM-RYUDHWBXSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000903948408 621485862 /nfs/dbraw/zinc/48/58/62/621485862.db2.gz PUSZUYMVZOEDIG-IRXDYDNUSA-N 3 0 281.488 2.572 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000903948773 621486289 /nfs/dbraw/zinc/48/62/89/621486289.db2.gz UKTXYLIRAOFJOZ-MRXNPFEDSA-N 3 0 269.477 2.558 20 0 CFADRP Cc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(C)c1 ZINC000903955356 621490351 /nfs/dbraw/zinc/49/03/51/621490351.db2.gz PWDSBEXCQZOTGS-AWEZNQCLSA-N 2 0 282.378 2.946 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903975072 621492748 /nfs/dbraw/zinc/49/27/48/621492748.db2.gz VZNDJDFLCNLQPA-GDBMZVCRSA-N 2 0 298.434 2.720 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978229 621494023 /nfs/dbraw/zinc/49/40/23/621494023.db2.gz BCXMBCXJTHYAJH-UMVBOHGHSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CCSCc1ccccc1 ZINC000903978239 621494149 /nfs/dbraw/zinc/49/41/49/621494149.db2.gz BLFUGQGPHXUPKF-GDBMZVCRSA-N 2 0 278.465 2.755 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000903964520 621495862 /nfs/dbraw/zinc/49/58/62/621495862.db2.gz KMNYQTLSARTNMF-KOLCDFICSA-N 2 0 290.304 2.790 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000903968048 621496254 /nfs/dbraw/zinc/49/62/54/621496254.db2.gz QHBALGDCEAQXBW-OUCADQQQSA-N 2 0 266.816 2.889 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000904299723 621568458 /nfs/dbraw/zinc/56/84/58/621568458.db2.gz MQJPAQZGILVZQD-HZPDHXFCSA-N 2 0 281.488 2.604 20 0 CFADRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904302449 621568774 /nfs/dbraw/zinc/56/87/74/621568774.db2.gz WRBHKQIWJJWABA-BJHJDKERSA-N 2 0 272.314 2.875 20 0 CFADRP C[N@@H+](Cc1ccc(Br)s1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303612 621569345 /nfs/dbraw/zinc/56/93/45/621569345.db2.gz AGZRWXKKUMBFOX-DTORHVGOSA-N 2 0 289.242 2.680 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@]1(C)CCC[NH2+]C1 ZINC000904303709 621569806 /nfs/dbraw/zinc/56/98/06/621569806.db2.gz DMUYPXOKQIRJEU-KRWDZBQOSA-N 2 0 290.407 2.627 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000904308002 621570411 /nfs/dbraw/zinc/57/04/11/621570411.db2.gz ZZMVGJSJHVKTAW-MELADBBJSA-N 2 0 285.391 2.745 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904308774 621570444 /nfs/dbraw/zinc/57/04/44/621570444.db2.gz WQAFMWAQHRWPDG-GOSISDBHSA-N 3 0 295.515 2.820 20 0 CFADRP CC[N@H+](CCc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904311884 621571025 /nfs/dbraw/zinc/57/10/25/621571025.db2.gz KCSVFJPWUHFWDB-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000904313843 621571586 /nfs/dbraw/zinc/57/15/86/621571586.db2.gz LNJNSTWLJJFZGM-CVEARBPZSA-N 2 0 281.488 2.700 20 0 CFADRP Cc1ccccc1C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904315782 621571761 /nfs/dbraw/zinc/57/17/61/621571761.db2.gz HJXRNLARGQSMCM-FZNQNYSPSA-N 2 0 258.409 2.912 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cc3ccccc3F)CC2)C1 ZINC000904317176 621572472 /nfs/dbraw/zinc/57/24/72/621572472.db2.gz CWARMAUGNDFGHM-FZNQNYSPSA-N 2 0 276.399 2.818 20 0 CFADRP CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904322681 621574403 /nfs/dbraw/zinc/57/44/03/621574403.db2.gz HACHEDLJKWQIMY-ZWKOTPCHSA-N 2 0 290.451 2.740 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904326573 621576089 /nfs/dbraw/zinc/57/60/89/621576089.db2.gz MWDSDDSVNRJUCS-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(CC)CC ZINC000904329417 621576641 /nfs/dbraw/zinc/57/66/41/621576641.db2.gz YYIBPNPDXNYUDH-LXTVHRRPSA-N 2 0 268.445 2.639 20 0 CFADRP COCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[C@@H](C)C1 ZINC000904345164 621579364 /nfs/dbraw/zinc/57/93/64/621579364.db2.gz DTQFYPUQGCAPFK-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]Cc1cccc(NC[C@@H]([NH3+])CCC(C)(C)C)c1 ZINC000904353373 621581036 /nfs/dbraw/zinc/58/10/36/621581036.db2.gz KTCOVWWEQVAFLL-AWEZNQCLSA-N 2 0 263.429 2.972 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCN3)CCC[NH2+]C1 ZINC000904355212 621581627 /nfs/dbraw/zinc/58/16/27/621581627.db2.gz OHFULTUMHDBPQB-QGZVFWFLSA-N 2 0 273.424 2.524 20 0 CFADRP C[NH2+]Cc1ccc(NC[C@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904355628 621581637 /nfs/dbraw/zinc/58/16/37/621581637.db2.gz VHOBJBNVZMGMFO-CQSZACIVSA-N 2 0 263.429 2.972 20 0 CFADRP C[C@@]1(C[NH2+]CCCc2cccc(F)c2)CCC[NH2+]C1 ZINC000904359593 621582447 /nfs/dbraw/zinc/58/24/47/621582447.db2.gz CMUZLKOEGJZJTM-INIZCTEOSA-N 2 0 264.388 2.738 20 0 CFADRP CCOCCC1(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CCCC1 ZINC000904361249 621582727 /nfs/dbraw/zinc/58/27/27/621582727.db2.gz ZGMIGEHQVFNEPT-MRXNPFEDSA-N 2 0 282.472 2.953 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904367080 621583643 /nfs/dbraw/zinc/58/36/43/621583643.db2.gz VFBOFSGGQOURFD-ZOBUZTSGSA-N 2 0 282.472 2.807 20 0 CFADRP Cc1ccc(NC[C@]2(C)CCC[NH2+]C2)c(C[NH+](C)C)c1 ZINC000904359114 621583760 /nfs/dbraw/zinc/58/37/60/621583760.db2.gz CZDMCTXZMCNPSO-QGZVFWFLSA-N 2 0 275.440 2.858 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000904367445 621584187 /nfs/dbraw/zinc/58/41/87/621584187.db2.gz AVWFYHKAYUDGLH-BYNSBNAKSA-N 2 0 280.456 2.687 20 0 CFADRP CC(C)(C)c1ccncc1CNC[C@]1(C)CCC[NH2+]C1 ZINC000904374033 621584828 /nfs/dbraw/zinc/58/48/28/621584828.db2.gz YPOLSFHVAHELBH-QGZVFWFLSA-N 2 0 275.440 2.858 20 0 CFADRP COc1ccccc1SC[C@@H](C)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362934 621585532 /nfs/dbraw/zinc/58/55/32/621585532.db2.gz VETSDQFDWRNXRH-MELADBBJSA-N 2 0 294.464 2.750 20 0 CFADRP COc1cc(CC[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1C ZINC000904366639 621586086 /nfs/dbraw/zinc/58/60/86/621586086.db2.gz NQVYQRVXEXSCNI-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000904375875 621586849 /nfs/dbraw/zinc/58/68/49/621586849.db2.gz JBDZYNJLJHKPAK-VNQPRFMTSA-N 2 0 276.399 2.960 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCc2ccc(F)cc21 ZINC000904376451 621587050 /nfs/dbraw/zinc/58/70/50/621587050.db2.gz SKSOCJVXFYKIPX-SLEUVZQESA-N 2 0 262.372 2.525 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CNCc1ccc(C[NH3+])cc1F ZINC000904376048 621587143 /nfs/dbraw/zinc/58/71/43/621587143.db2.gz LATGLYXYOUIACF-AWEZNQCLSA-N 2 0 281.419 2.528 20 0 CFADRP COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904375496 621587193 /nfs/dbraw/zinc/58/71/93/621587193.db2.gz AXJMXJJUYCWVJK-BBWFWOEESA-N 2 0 288.435 2.830 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000904376491 621587215 /nfs/dbraw/zinc/58/72/15/621587215.db2.gz UOFZRUFBHBCVNT-CABCVRRESA-N 2 0 275.440 2.766 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000904380099 621587478 /nfs/dbraw/zinc/58/74/78/621587478.db2.gz HPNJYXYKGOUZPC-BNOWGMLFSA-N 2 0 280.362 2.882 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904381647 621588328 /nfs/dbraw/zinc/58/83/28/621588328.db2.gz QPFQFONKNXIIST-GASCZTMLSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000904385546 621588668 /nfs/dbraw/zinc/58/86/68/621588668.db2.gz YJPFIEDHZFIYPB-GRZMOONWSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CCC[NH2+]C1 ZINC000904385756 621588716 /nfs/dbraw/zinc/58/87/16/621588716.db2.gz DMIBKNFQRLISSJ-QZTJIDSGSA-N 2 0 294.483 2.905 20 0 CFADRP C[C@H]1CN(Cc2cc(F)c(F)cc2F)CC[C@H]1C[NH3+] ZINC000904410497 621591566 /nfs/dbraw/zinc/59/15/66/621591566.db2.gz GEONHQCGFVIKDK-UWVGGRQHSA-N 2 0 272.314 2.521 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904410992 621591815 /nfs/dbraw/zinc/59/18/15/621591815.db2.gz IKZIKMRDZWAIKT-GDBMZVCRSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410476 621591994 /nfs/dbraw/zinc/59/19/94/621591994.db2.gz FUBXJYGDXGBSTR-VXGBXAGGSA-N 2 0 267.442 2.683 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411728 621592328 /nfs/dbraw/zinc/59/23/28/621592328.db2.gz XGJHKUPVLQYUHD-HZPDHXFCSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000904411495 621592634 /nfs/dbraw/zinc/59/26/34/621592634.db2.gz KZWYMYKRMCFZJS-TZMCWYRMSA-N 2 0 298.377 2.747 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412867 621593154 /nfs/dbraw/zinc/59/31/54/621593154.db2.gz YCAYBRWPWMWQOU-GDBMZVCRSA-N 2 0 298.434 2.597 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC ZINC000904412317 621593243 /nfs/dbraw/zinc/59/32/43/621593243.db2.gz RZKOCJQOKNGWJH-ZFWWWQNUSA-N 2 0 292.423 2.511 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@H]1CCOC1 ZINC000904416294 621593803 /nfs/dbraw/zinc/59/38/03/621593803.db2.gz KJMSVEGUVLKFGN-JKSUJKDBSA-N 2 0 280.456 2.515 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000904432679 621595090 /nfs/dbraw/zinc/59/50/90/621595090.db2.gz FASQWPVUTNAXNW-QEJZJMRPSA-N 2 0 293.480 2.704 20 0 CFADRP CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904421283 621597089 /nfs/dbraw/zinc/59/70/89/621597089.db2.gz WUKUPIRKTRXAQA-JKSUJKDBSA-N 2 0 274.408 2.517 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000904443680 621598595 /nfs/dbraw/zinc/59/85/95/621598595.db2.gz JMJRCJBLNIBHFU-HNNXBMFYSA-N 2 0 275.440 2.940 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000904446839 621599269 /nfs/dbraw/zinc/59/92/69/621599269.db2.gz ZHAJKPFXGBQFKM-CQSZACIVSA-N 2 0 261.413 2.550 20 0 CFADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cncs1 ZINC000904469241 621601016 /nfs/dbraw/zinc/60/10/16/621601016.db2.gz KFUKIAWGJFUYBT-SECBINFHSA-N 2 0 279.434 2.701 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000904473239 621601137 /nfs/dbraw/zinc/60/11/37/621601137.db2.gz QCJTYUCLHPYGOW-VFGIFXOCSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]1C[C@H](CNc2ccc(C(C)(C)[NH3+])cc2)CC[NH2+]1 ZINC000904477680 621601729 /nfs/dbraw/zinc/60/17/29/621601729.db2.gz WSFPQRBUIIEDRA-QWHCGFSZSA-N 2 0 261.413 2.680 20 0 CFADRP C[C@@H]1C[C@H](CNc2ccc(C(C)(C)[NH3+])cc2)CC[NH2+]1 ZINC000904477678 621601853 /nfs/dbraw/zinc/60/18/53/621601853.db2.gz WSFPQRBUIIEDRA-CHWSQXEVSA-N 2 0 261.413 2.680 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000904919007 621672581 /nfs/dbraw/zinc/67/25/81/621672581.db2.gz JUOKYMLVXFXLSR-MRXNPFEDSA-N 2 0 277.412 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc(C)c2)CC1 ZINC000905079393 621691145 /nfs/dbraw/zinc/69/11/45/621691145.db2.gz HHVMFFUGKQILNY-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000905600726 621795828 /nfs/dbraw/zinc/79/58/28/621795828.db2.gz MLQALKNENHFZHU-ADKAHSJRSA-N 2 0 294.483 2.924 20 0 CFADRP C[NH2+]Cc1ncc(-c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000906153846 621934618 /nfs/dbraw/zinc/93/46/18/621934618.db2.gz WDEGOEDJWSURDE-UHFFFAOYSA-N 2 0 296.418 2.849 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCON=C(N)CCC(F)(F)F ZINC000906508885 621994973 /nfs/dbraw/zinc/99/49/73/621994973.db2.gz ZSXPSIZCKLUGOC-JTQLQIEISA-N 2 0 281.322 2.702 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000906508352 621995184 /nfs/dbraw/zinc/99/51/84/621995184.db2.gz OHHJBKSTWRZGKX-QAQDUYKDSA-N 2 0 282.387 2.845 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000906510756 621995579 /nfs/dbraw/zinc/99/55/79/621995579.db2.gz VFGUHFDQVQECNG-UHFFFAOYSA-N 2 0 276.714 2.521 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000906516745 621996492 /nfs/dbraw/zinc/99/64/92/621996492.db2.gz JSXYDLSJYAUQFS-XDTLVQLUSA-N 2 0 283.213 2.632 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000906517966 621996504 /nfs/dbraw/zinc/99/65/04/621996504.db2.gz LCBUQQSDQSWHFL-XDTLVQLUSA-N 2 0 272.314 2.888 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Cl)s1 ZINC000924815695 622171847 /nfs/dbraw/zinc/17/18/47/622171847.db2.gz ZWNYEBRHWSPNFU-HWYHXSKPSA-N 2 0 270.829 2.831 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCS1 ZINC000149528037 622194597 /nfs/dbraw/zinc/19/45/97/622194597.db2.gz OYESMMBNTXGHNQ-MCIONIFRSA-N 2 0 256.459 2.782 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000841085758 622245800 /nfs/dbraw/zinc/24/58/00/622245800.db2.gz ABSZIDXKLVQOKR-ZIAGYGMSSA-N 2 0 250.411 2.562 20 0 CFADRP CC1(C)CC2(CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)CO1 ZINC000924841684 622530870 /nfs/dbraw/zinc/53/08/70/622530870.db2.gz DBCIFTDZRHOOTD-UHFFFAOYSA-N 2 0 292.467 2.941 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000911684469 622534796 /nfs/dbraw/zinc/53/47/96/622534796.db2.gz CNQHXYPKEWCYKX-MRXNPFEDSA-N 2 0 289.423 2.607 20 0 CFADRP CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911844404 622563675 /nfs/dbraw/zinc/56/36/75/622563675.db2.gz FRHJCALJQIYTGS-LRDDRELGSA-N 2 0 277.412 2.656 20 0 CFADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]2CCO[C@H]21 ZINC000820810755 622763398 /nfs/dbraw/zinc/76/33/98/622763398.db2.gz DDTKJOVRMSLOEM-CTYVRADFSA-N 2 0 290.451 2.547 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CO2 ZINC000820813802 622764793 /nfs/dbraw/zinc/76/47/93/622764793.db2.gz BZANFMNISNCTMA-WRXVUKFLSA-N 2 0 298.430 2.738 20 0 CFADRP CC(C)[C@@H](O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820828985 622768853 /nfs/dbraw/zinc/76/88/53/622768853.db2.gz DHYGXGPWQWIGFY-CVGRLMLNSA-N 2 0 292.467 2.531 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820830627 622769520 /nfs/dbraw/zinc/76/95/20/622769520.db2.gz XHKGPLZKACGFAP-KEYYUXOJSA-N 2 0 276.424 2.966 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000221809809 622930030 /nfs/dbraw/zinc/93/00/30/622930030.db2.gz ABUCGKFEXOJHOY-UHFFFAOYSA-N 2 0 260.425 2.939 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)SC ZINC000224323097 623001844 /nfs/dbraw/zinc/00/18/44/623001844.db2.gz LBNYSBJTJXMCCN-QWHCGFSZSA-N 2 0 258.475 2.981 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000166741544 623029522 /nfs/dbraw/zinc/02/95/22/623029522.db2.gz ZTFZYDCAPTXCMH-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP CC(C)n1cncc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000822476804 623112756 /nfs/dbraw/zinc/11/27/56/623112756.db2.gz WYNHJTSCIFDTGR-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229061990 623180552 /nfs/dbraw/zinc/18/05/52/623180552.db2.gz CWSQLPCRFAZVTL-ZFWWWQNUSA-N 2 0 262.397 2.502 20 0 CFADRP CN(Cc1ccc(Cl)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911551 623306068 /nfs/dbraw/zinc/30/60/68/623306068.db2.gz IOBPVSLDMHRXRU-AWEZNQCLSA-N 2 0 252.789 2.771 20 0 CFADRP CN(CCC[NH+]1CCCCC1)C[C@@](C)(O)c1ccccc1 ZINC000823604542 623357563 /nfs/dbraw/zinc/35/75/63/623357563.db2.gz DRLKQCDZPRBXCG-GOSISDBHSA-N 2 0 290.451 2.702 20 0 CFADRP CC(C)([NH2+]CCCCCCC[NH3+])c1nccs1 ZINC000232556643 623424919 /nfs/dbraw/zinc/42/49/19/623424919.db2.gz LDLGQGJSDPQHCM-UHFFFAOYSA-N 2 0 255.431 2.877 20 0 CFADRP C[C@@H]([NH2+]CCCCCCC[NH3+])c1nc(C(C)(C)C)no1 ZINC000842477566 623475067 /nfs/dbraw/zinc/47/50/67/623475067.db2.gz AAHBQNSEPNHPEZ-GFCCVEGCSA-N 2 0 282.432 2.927 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCC2(CCC2)O1 ZINC000929700186 623516897 /nfs/dbraw/zinc/51/68/97/623516897.db2.gz XINGJTMHUBFRLV-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144594 623571909 /nfs/dbraw/zinc/57/19/09/623571909.db2.gz MXMAFYRLKYNLHR-ZBFHGGJFSA-N 2 0 262.397 2.692 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929788769 623683949 /nfs/dbraw/zinc/68/39/49/623683949.db2.gz BTYYDOSRPQFATB-YIYPIFLZSA-N 2 0 272.383 2.551 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152425728 623702394 /nfs/dbraw/zinc/70/23/94/623702394.db2.gz PXZFAGRZCVYBFL-CHWSQXEVSA-N 2 0 270.486 2.981 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCCC1 ZINC000032112669 623907582 /nfs/dbraw/zinc/90/75/82/623907582.db2.gz KIJNUOVSECBBNW-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP Cc1cc(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000917075646 624305926 /nfs/dbraw/zinc/30/59/26/624305926.db2.gz PKTNCLAXWWSYAV-STQMWFEESA-N 2 0 291.443 2.537 20 0 CFADRP Cc1cc(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000917075645 624306047 /nfs/dbraw/zinc/30/60/47/624306047.db2.gz PKTNCLAXWWSYAV-CHWSQXEVSA-N 2 0 291.443 2.537 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)CCSc1ccncc1 ZINC000930062407 624535935 /nfs/dbraw/zinc/53/59/35/624535935.db2.gz WREVPZJZIRDGHE-UHFFFAOYSA-N 2 0 290.436 2.701 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169608 625278298 /nfs/dbraw/zinc/27/82/98/625278298.db2.gz MOFICYVELKJGIQ-CYBMUJFWSA-N 2 0 264.438 2.969 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)cnc1Cl)C1CC[NH+](C)CC1 ZINC000834840312 625898533 /nfs/dbraw/zinc/89/85/33/625898533.db2.gz JCLLVHCHPWXDAF-JTQLQIEISA-N 2 0 285.794 2.694 20 0 CFADRP C[C@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(Cl)Cl ZINC000817936170 625963024 /nfs/dbraw/zinc/96/30/24/625963024.db2.gz HPIVKXXARNSHFD-MBYGNEARSA-N 2 0 277.239 2.833 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2C)C1 ZINC000921581308 625991293 /nfs/dbraw/zinc/99/12/93/625991293.db2.gz IWXRIACWROAZBO-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1nc(-c2ccc(NC(=O)[C@@H](C)[NH+](C)C)cc2)[nH]c1C ZINC000921653245 626048718 /nfs/dbraw/zinc/04/87/18/626048718.db2.gz KGDBWYWDZXRDMS-GFCCVEGCSA-N 2 0 286.379 2.582 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)cc2C)CC1 ZINC000921687268 626081265 /nfs/dbraw/zinc/08/12/65/626081265.db2.gz ZPDYZTDAXLIXBF-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000921689550 626087579 /nfs/dbraw/zinc/08/75/79/626087579.db2.gz SUZYGFXRYUOGPI-VSZNYVQBSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]CC3(C)CC[NH+](C)CC3)ccc2O1 ZINC000921978692 626190201 /nfs/dbraw/zinc/19/02/01/626190201.db2.gz UUAOJTRCMFTRLY-AWEZNQCLSA-N 2 0 288.435 2.832 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921989514 626191706 /nfs/dbraw/zinc/19/17/06/626191706.db2.gz IWYMGHQMWPQKHG-HUUCEWRRSA-N 2 0 288.501 2.609 20 0 CFADRP C1C([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1[NH+]1CCCCC1 ZINC000922081540 626205146 /nfs/dbraw/zinc/20/51/46/626205146.db2.gz PKFCHJWZQONKMH-IDZDRKKHSA-N 2 0 292.467 2.798 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000922140057 626216287 /nfs/dbraw/zinc/21/62/87/626216287.db2.gz GURGZDMYANVOFW-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1nccc2c1CCCC2)C1CC1 ZINC000922169997 626229183 /nfs/dbraw/zinc/22/91/83/626229183.db2.gz CUZGMBZNDVRCCG-UHFFFAOYSA-N 2 0 287.451 2.924 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)ccc12 ZINC000922178662 626231904 /nfs/dbraw/zinc/23/19/04/626231904.db2.gz QNFOVFCSUGLSEZ-BZUAXINKSA-N 2 0 285.391 2.629 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000922181628 626233231 /nfs/dbraw/zinc/23/32/31/626233231.db2.gz WFWHBXIZDANFFU-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCC1)C2 ZINC000922388102 626282406 /nfs/dbraw/zinc/28/24/06/626282406.db2.gz OIGBOHRVJSQGHN-BRSBDYLESA-N 2 0 294.483 2.636 20 0 CFADRP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)n1 ZINC000320927536 626286820 /nfs/dbraw/zinc/28/68/20/626286820.db2.gz QRSDIJHJKCNIAM-GJZGRUSLSA-N 2 0 293.842 2.960 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCC2(CCC2)O1 ZINC000922806874 626369752 /nfs/dbraw/zinc/36/97/52/626369752.db2.gz PPTKAKZWKWDQQL-ARFHVFGLSA-N 2 0 278.440 2.695 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H](C)C1 ZINC000186601796 626387490 /nfs/dbraw/zinc/38/74/90/626387490.db2.gz YDVXYHBHGQPVPH-PBHICJAKSA-N 2 0 290.451 2.734 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)CC1(C)C ZINC000922968690 626436201 /nfs/dbraw/zinc/43/62/01/626436201.db2.gz WEIYWRGHSXJFMP-LSDHHAIUSA-N 2 0 280.456 2.941 20 0 CFADRP c1ccc([C@H]2CSCCN2CCC[NH2+]C2CC2)cc1 ZINC000923300193 626463338 /nfs/dbraw/zinc/46/33/38/626463338.db2.gz DFGDPCSGTBGVPA-MRXNPFEDSA-N 2 0 276.449 2.919 20 0 CFADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCC(C2CCCCC2)CC1 ZINC000923307212 626464094 /nfs/dbraw/zinc/46/40/94/626464094.db2.gz ZKTXIFVJQSUYHQ-KRWDZBQOSA-N 2 0 292.467 2.657 20 0 CFADRP CC[N@@H+](Cc1ccccc1Cl)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303825 626464323 /nfs/dbraw/zinc/46/43/23/626464323.db2.gz RBABRJQCULGKNT-CQSZACIVSA-N 2 0 294.826 2.540 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923314383 626465136 /nfs/dbraw/zinc/46/51/36/626465136.db2.gz VDNBIZHNTLFYKI-CQSZACIVSA-N 2 0 274.408 2.627 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923321231 626466190 /nfs/dbraw/zinc/46/61/90/626466190.db2.gz AJFUVHFRUKYOII-ALOPSCKCSA-N 3 0 293.499 2.713 20 0 CFADRP CCc1onc(C)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000923354427 626468505 /nfs/dbraw/zinc/46/85/05/626468505.db2.gz UPOQSXYTZMHMSY-UHFFFAOYSA-N 2 0 279.428 2.886 20 0 CFADRP COCC1(C)CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923371122 626469075 /nfs/dbraw/zinc/46/90/75/626469075.db2.gz PDKMQHOPJPMDBE-MQVJKMGUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923376727 626469320 /nfs/dbraw/zinc/46/93/20/626469320.db2.gz OAPGIFNVWOUBJO-CVEARBPZSA-N 2 0 288.435 2.742 20 0 CFADRP CCCCCC[C@@H](O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923382969 626469712 /nfs/dbraw/zinc/46/97/12/626469712.db2.gz FPZANJQHXGNLCH-JKSUJKDBSA-N 2 0 282.472 2.782 20 0 CFADRP Fc1cccc(C2([NH2+]CCC[NH2+]C3CC3)CCC2)c1 ZINC000923384924 626469992 /nfs/dbraw/zinc/46/99/92/626469992.db2.gz PWDRAXKGPHJPRS-UHFFFAOYSA-N 2 0 262.372 2.937 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923390492 626470027 /nfs/dbraw/zinc/47/00/27/626470027.db2.gz SOPDNHUEIMPZQG-OWCLPIDISA-N 2 0 270.461 2.623 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923385583 626470252 /nfs/dbraw/zinc/47/02/52/626470252.db2.gz AXMBFDZBEMSHET-HNNXBMFYSA-N 2 0 291.439 2.757 20 0 CFADRP [NH3+]C[C@H]1CCc2ccccc2N1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392397 626470294 /nfs/dbraw/zinc/47/02/94/626470294.db2.gz RGFWDNRAPWJWLV-NXCDMZCRSA-N 2 0 299.462 2.687 20 0 CFADRP O[C@H](CC1CCCC1)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923386434 626470333 /nfs/dbraw/zinc/47/03/33/626470333.db2.gz GLHBVAXZAPOETP-ZWKOTPCHSA-N 2 0 294.483 2.639 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)[C@@H]1CCC[NH3+] ZINC000923387819 626470355 /nfs/dbraw/zinc/47/03/55/626470355.db2.gz GDBZQSNSAYGARH-KBRIMQKVSA-N 2 0 294.414 2.699 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923389461 626470524 /nfs/dbraw/zinc/47/05/24/626470524.db2.gz RDMBMVOUBWWSBU-QZTJIDSGSA-N 2 0 294.483 2.639 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413783 626471319 /nfs/dbraw/zinc/47/13/19/626471319.db2.gz IBUITANKZPMKJJ-BMRXWSCTSA-N 2 0 280.481 2.592 20 0 CFADRP [NH3+]C[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000923428679 626472286 /nfs/dbraw/zinc/47/22/86/626472286.db2.gz YLISDMCBFNETNK-IFFAKLHKSA-N 2 0 299.462 2.860 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000923458906 626473896 /nfs/dbraw/zinc/47/38/96/626473896.db2.gz WLANWAHTJKXYJM-AWEZNQCLSA-N 2 0 294.826 2.670 20 0 CFADRP CCc1ccccc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450067 626473987 /nfs/dbraw/zinc/47/39/87/626473987.db2.gz DMEPMLLZHJLRGT-KRWDZBQOSA-N 2 0 288.435 2.579 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)s1 ZINC000923451046 626474156 /nfs/dbraw/zinc/47/41/56/626474156.db2.gz JKJKKOOMMZORKR-HNNXBMFYSA-N 2 0 294.464 2.695 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480057 626475990 /nfs/dbraw/zinc/47/59/90/626475990.db2.gz UUGCIKUIYLSRND-AWEZNQCLSA-N 2 0 275.440 2.938 20 0 CFADRP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923485798 626476184 /nfs/dbraw/zinc/47/61/84/626476184.db2.gz MBKHBHRVWPDHLN-WDEREUQCSA-N 2 0 292.408 2.530 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000923482093 626476235 /nfs/dbraw/zinc/47/62/35/626476235.db2.gz OEELMXKFQLZWCQ-CYBMUJFWSA-N 2 0 287.432 2.981 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000923484882 626476298 /nfs/dbraw/zinc/47/62/98/626476298.db2.gz CFUCTXMGYBWZDH-LBPRGKRZSA-N 2 0 289.354 2.651 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000923483961 626476342 /nfs/dbraw/zinc/47/63/42/626476342.db2.gz ULJOQMIEBGFYSU-NSHDSACASA-N 2 0 294.349 2.602 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC000923496259 626476509 /nfs/dbraw/zinc/47/65/09/626476509.db2.gz GXVFWAFTSKXFDR-QWRGUYRKSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC000923496262 626476588 /nfs/dbraw/zinc/47/65/88/626476588.db2.gz GXVFWAFTSKXFDR-WDEREUQCSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@H]1C[NH3+] ZINC000923491520 626476653 /nfs/dbraw/zinc/47/66/53/626476653.db2.gz IGOILWUJSGBYSS-SLBVQIDZSA-N 2 0 294.389 2.952 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1C ZINC000923493973 626476667 /nfs/dbraw/zinc/47/66/67/626476667.db2.gz XPECUIPIPILUFN-MRXNPFEDSA-N 2 0 288.435 2.985 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1C[NH3+] ZINC000923491400 626476744 /nfs/dbraw/zinc/47/67/44/626476744.db2.gz RIJMABGXBPGOMU-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@H]1C[NH3+] ZINC000923492072 626476760 /nfs/dbraw/zinc/47/67/60/626476760.db2.gz VRVBRJNYUHVHLX-LAVFITLUSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)CC[C@@H]1C[NH3+] ZINC000923492966 626476778 /nfs/dbraw/zinc/47/67/78/626476778.db2.gz ZWBLAMJZYMMFJT-JHJVBQTASA-N 2 0 260.372 2.729 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923491144 626476795 /nfs/dbraw/zinc/47/67/95/626476795.db2.gz KELHUHBIWDMLAJ-CQSZACIVSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923502201 626476921 /nfs/dbraw/zinc/47/69/21/626476921.db2.gz YAZIAXCGENWXOV-JKSUJKDBSA-N 2 0 276.424 2.762 20 0 CFADRP C[C@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502674 626476931 /nfs/dbraw/zinc/47/69/31/626476931.db2.gz DGQHKBQXADZHOI-QWHCGFSZSA-N 2 0 282.815 2.636 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923502544 626477010 /nfs/dbraw/zinc/47/70/10/626477010.db2.gz ZWOVWYFVKZVIDB-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@H]1C[NH3+] ZINC000923497873 626477049 /nfs/dbraw/zinc/47/70/49/626477049.db2.gz MWAIZIVSKQMZBH-ZFWWWQNUSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923499101 626477085 /nfs/dbraw/zinc/47/70/85/626477085.db2.gz JQYLLVFHTNBXFD-ZIAGYGMSSA-N 2 0 280.387 2.511 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497510 626477147 /nfs/dbraw/zinc/47/71/47/626477147.db2.gz LGOZGBVDTGMXAU-OLZOCXBDSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(-c3cccs3)on2)CC[C@H]1C[NH3+] ZINC000923498602 626477233 /nfs/dbraw/zinc/47/72/33/626477233.db2.gz HTERUZGZCYWQBD-RYUDHWBXSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC000923499315 626477335 /nfs/dbraw/zinc/47/73/35/626477335.db2.gz MSMGSSUHPKAPDK-NWDGAFQWSA-N 2 0 284.350 2.705 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923500781 626477367 /nfs/dbraw/zinc/47/73/67/626477367.db2.gz PBXZMGCVBIOYOW-NWDGAFQWSA-N 2 0 282.815 2.765 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923500780 626477463 /nfs/dbraw/zinc/47/74/63/626477463.db2.gz PBXZMGCVBIOYOW-NEPJUHHUSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccccc2)CC[C@H]1C[NH3+] ZINC000923500952 626477549 /nfs/dbraw/zinc/47/75/49/626477549.db2.gz SLNZNLOGYFRGOV-KGLIPLIRSA-N 2 0 264.438 2.695 20 0 CFADRP C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923504684 626477642 /nfs/dbraw/zinc/47/76/42/626477642.db2.gz SSORRFUDRZQPEF-STQMWFEESA-N 2 0 282.815 2.636 20 0 CFADRP C(C1CCOCC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505035 626477722 /nfs/dbraw/zinc/47/77/22/626477722.db2.gz KZBZXACUHSXNIL-MRXNPFEDSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H](c1cnccn1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506231 626477743 /nfs/dbraw/zinc/47/77/43/626477743.db2.gz GVSUDEKEQPCEPY-GJZGRUSLSA-N 2 0 288.439 2.639 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC000923505489 626477774 /nfs/dbraw/zinc/47/77/74/626477774.db2.gz AANNHJQUOVISOO-DGCLKSJQSA-N 2 0 252.789 2.757 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)on1 ZINC000923506739 626477878 /nfs/dbraw/zinc/47/78/78/626477878.db2.gz KRSRSLCWKSJFNI-CQSZACIVSA-N 2 0 277.412 2.585 20 0 CFADRP C([C@@H]1C[C@@]12CCOC2)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508152 626477991 /nfs/dbraw/zinc/47/79/91/626477991.db2.gz INAJIIPVVXYDPA-BPQIPLTHSA-N 2 0 292.467 2.515 20 0 CFADRP Fc1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Cl ZINC000923521258 626478464 /nfs/dbraw/zinc/47/84/64/626478464.db2.gz LHAREQXFLRAGOY-NWDGAFQWSA-N 2 0 268.763 2.520 20 0 CFADRP C(=C/[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1)\c1ccccc1 ZINC000923526988 626478604 /nfs/dbraw/zinc/47/86/04/626478604.db2.gz XIJPHERNHOBMSQ-XDIYQJDNSA-N 2 0 298.430 2.543 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000923549842 626479578 /nfs/dbraw/zinc/47/95/78/626479578.db2.gz QJLRJDSVXRJHKS-WBVHZDCISA-N 2 0 280.456 2.515 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)C2CC2)CC1)CC(C)C ZINC000838911451 626513424 /nfs/dbraw/zinc/51/34/24/626513424.db2.gz BAQCPDUELRHHJK-GOSISDBHSA-N 2 0 296.499 2.837 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000757674431 626557589 /nfs/dbraw/zinc/55/75/89/626557589.db2.gz ULLXKNNQXCHGRS-GOSISDBHSA-N 2 0 290.451 2.930 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOC(F)F)C1 ZINC000851773148 634519819 /nfs/dbraw/zinc/51/98/19/634519819.db2.gz JQNYCIIMAMHYLZ-UONOGXRCSA-N 2 0 290.398 2.812 20 0 CFADRP C[C@@H]([NH2+]CCCOc1ccccc1F)C1CC[NH+](C)CC1 ZINC000764929514 627107270 /nfs/dbraw/zinc/10/72/70/627107270.db2.gz QTCTXJPAWLIWDS-CQSZACIVSA-N 2 0 294.414 2.915 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000765072922 627117509 /nfs/dbraw/zinc/11/75/09/627117509.db2.gz FBBUJDAQAIDXDM-YOEHRIQHSA-N 2 0 258.409 2.914 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765250089 627126379 /nfs/dbraw/zinc/12/63/79/627126379.db2.gz BAVGPXBRIHDSIM-WMZOPIPTSA-N 2 0 290.451 2.708 20 0 CFADRP C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)C1CCOCC1 ZINC000765253614 627126430 /nfs/dbraw/zinc/12/64/30/627126430.db2.gz HBJOQWPCRPJRCQ-ZFWWWQNUSA-N 2 0 279.428 2.703 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000765509618 627143955 /nfs/dbraw/zinc/14/39/55/627143955.db2.gz ODLVBZVAVKEECY-CQSZACIVSA-N 2 0 295.386 2.694 20 0 CFADRP CO[C@@H]1CC[C@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000851885836 634571068 /nfs/dbraw/zinc/57/10/68/634571068.db2.gz MJPMPTMVZHJERR-JKSUJKDBSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccoc2)CC1 ZINC000768927335 627386913 /nfs/dbraw/zinc/38/69/13/627386913.db2.gz TUYZRUHQEFOITN-UHFFFAOYSA-N 2 0 250.386 2.832 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCSC2)C1 ZINC000769013459 627395818 /nfs/dbraw/zinc/39/58/18/627395818.db2.gz NREJTPRVSGWIRQ-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP CC[N@H+](CCC1CCN(Cc2cnon2)CC1)CC(C)C ZINC000851891810 634574691 /nfs/dbraw/zinc/57/46/91/634574691.db2.gz CSWYJLKMLNHHNK-UHFFFAOYSA-N 2 0 294.443 2.650 20 0 CFADRP COC1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000774347244 627917649 /nfs/dbraw/zinc/91/76/49/627917649.db2.gz JWWLSOLVAUZHNS-MSJJKYGJSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1CCC=CO1 ZINC000774981287 627982898 /nfs/dbraw/zinc/98/28/98/627982898.db2.gz ZTLHDUCMVOUFEE-HZPDHXFCSA-N 2 0 266.429 2.923 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000775400970 628021163 /nfs/dbraw/zinc/02/11/63/628021163.db2.gz LWPIEXXVNHXTKP-YJBOKZPZSA-N 2 0 290.451 2.963 20 0 CFADRP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000775416724 628024068 /nfs/dbraw/zinc/02/40/68/628024068.db2.gz YIFVGWBBNAPRMC-UHFFFAOYSA-N 2 0 288.435 2.968 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OC)C2(CC)CC)C1 ZINC000776161062 628108754 /nfs/dbraw/zinc/10/87/54/628108754.db2.gz SNGRWIVGQHYUJA-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCC1 ZINC000852007023 634625249 /nfs/dbraw/zinc/62/52/49/634625249.db2.gz ISSXMVTWYZYPGS-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000852045805 634635254 /nfs/dbraw/zinc/63/52/54/634635254.db2.gz NUAGDVOXFFSJBR-KBAYOESNSA-N 2 0 290.451 2.771 20 0 CFADRP CN(CC[NH+]1CCCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000778218259 628288478 /nfs/dbraw/zinc/28/84/78/628288478.db2.gz FYZRKXRQPJFQSG-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000779342904 628375417 /nfs/dbraw/zinc/37/54/17/628375417.db2.gz VMSCTECFAZBRSM-JKSUJKDBSA-N 2 0 290.451 2.922 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(CC[C@H]1CC1(Cl)Cl)C2 ZINC000852106570 634659161 /nfs/dbraw/zinc/65/91/61/634659161.db2.gz BMCVZVBCMRVFCL-STQMWFEESA-N 2 0 291.266 2.988 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCSC(C)(C)C)C2 ZINC000852104609 634659203 /nfs/dbraw/zinc/65/92/03/634659203.db2.gz DELSHMUUPJZDKL-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCCC1 ZINC000781924307 628591344 /nfs/dbraw/zinc/59/13/44/628591344.db2.gz PMRLNJMVCMATNW-SFHVURJKSA-N 2 0 288.435 2.676 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000783224243 628688557 /nfs/dbraw/zinc/68/85/57/628688557.db2.gz PKGORAHDWQJBOI-BBRMVZONSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000783244695 628692265 /nfs/dbraw/zinc/69/22/65/628692265.db2.gz HTJKWWWPFSOBBY-XHDPSFHLSA-N 2 0 250.361 2.775 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000783290656 628697895 /nfs/dbraw/zinc/69/78/95/628697895.db2.gz CPSRCILVLKXVSM-JLSDUUJJSA-N 2 0 288.435 2.531 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)nc2C)C[C@@H]1C ZINC000787184423 628998140 /nfs/dbraw/zinc/99/81/40/628998140.db2.gz YRHIGPPQSXOJQJ-SWLSCSKDSA-N 2 0 279.403 2.834 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)nc2C)C[C@H]1C ZINC000787184416 628998154 /nfs/dbraw/zinc/99/81/54/628998154.db2.gz YRHIGPPQSXOJQJ-DOMZBBRYSA-N 2 0 279.403 2.834 20 0 CFADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788482431 629073006 /nfs/dbraw/zinc/07/30/06/629073006.db2.gz VZDDSSZSPSQEFP-VNQPRFMTSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788476741 629073061 /nfs/dbraw/zinc/07/30/61/629073061.db2.gz SMEBGURQXJTTOK-YJBOKZPZSA-N 2 0 288.435 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc[nH]c(=O)c1 ZINC000788612863 629086210 /nfs/dbraw/zinc/08/62/10/629086210.db2.gz WGRCKIJGTALJSN-JSGCOSHPSA-N 2 0 279.428 2.804 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000791139033 629289576 /nfs/dbraw/zinc/28/95/76/629289576.db2.gz WJAOVZODBWTBAK-ZDUSSCGKSA-N 2 0 277.412 2.558 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)n(C)n1 ZINC000793524283 629561278 /nfs/dbraw/zinc/56/12/78/629561278.db2.gz KUEWGNBSDQDAKE-MRXNPFEDSA-N 2 0 292.471 2.891 20 0 CFADRP Cc1cnn(C)c1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000796286105 629900549 /nfs/dbraw/zinc/90/05/49/629900549.db2.gz ZMPGURVLAYEFQD-UHFFFAOYSA-N 2 0 292.471 2.864 20 0 CFADRP CCCCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000110757805 634795258 /nfs/dbraw/zinc/79/52/58/634795258.db2.gz HCXPEPNPFJGRPN-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP CC(C)OC[C@H](C)[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000800224728 630361728 /nfs/dbraw/zinc/36/17/28/630361728.db2.gz JPSUGUAHEOPLJE-KBPBESRZSA-N 2 0 267.417 2.701 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000852743780 634819820 /nfs/dbraw/zinc/81/98/20/634819820.db2.gz KCLCJBCQWPQFFY-GOEBONIOSA-N 2 0 258.409 2.777 20 0 CFADRP COc1cccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1Cl ZINC000852747968 634821707 /nfs/dbraw/zinc/82/17/07/634821707.db2.gz DVEFVRUGBRJTKN-MRXNPFEDSA-N 2 0 294.826 2.924 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)n1 ZINC000852750267 634824838 /nfs/dbraw/zinc/82/48/38/634824838.db2.gz XSKZHMYXWSXSII-KGLIPLIRSA-N 2 0 293.842 2.865 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCCC[NH3+] ZINC000843126231 630804997 /nfs/dbraw/zinc/80/49/97/630804997.db2.gz DVDMCKDJGRSYMI-ZDUSSCGKSA-N 2 0 252.377 2.865 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cncc2ccccc21 ZINC000843127261 630806894 /nfs/dbraw/zinc/80/68/94/630806894.db2.gz NDMOEGDMFQRRKE-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000843126839 630807150 /nfs/dbraw/zinc/80/71/50/630807150.db2.gz KAPIQDLTUWGIAQ-UHFFFAOYSA-N 2 0 275.371 2.983 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000808721385 631035876 /nfs/dbraw/zinc/03/58/76/631035876.db2.gz LWSTYANFMDIHFO-RHSMWYFYSA-N 2 0 290.451 2.961 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@H](O)c2ccccc2)C[C@H]1C ZINC000808732392 631038633 /nfs/dbraw/zinc/03/86/33/631038633.db2.gz FFMRSCQNNLFFBC-NXHRZFHOSA-N 2 0 290.451 2.915 20 0 CFADRP CC1(C)Cc2cc(CNC[C@H]3CCCC[NH2+]3)ccc2O1 ZINC000841033593 631313214 /nfs/dbraw/zinc/31/32/14/631313214.db2.gz WNJGLXQVPMDKRJ-OAHLLOKOSA-N 2 0 274.408 2.632 20 0 CFADRP CCOc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000841035950 631314522 /nfs/dbraw/zinc/31/45/22/631314522.db2.gz MCJFRBUPIWWKEY-UHFFFAOYSA-N 2 0 284.403 2.876 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841041044 631318558 /nfs/dbraw/zinc/31/85/58/631318558.db2.gz AYGVJVDJGAOAFI-UHFFFAOYSA-N 2 0 260.353 2.700 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000841057283 631324490 /nfs/dbraw/zinc/32/44/90/631324490.db2.gz ITQVSHKCPVKVOA-KRWDZBQOSA-N 2 0 293.499 2.763 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)oc21 ZINC000841085147 631334543 /nfs/dbraw/zinc/33/45/43/631334543.db2.gz VPTKBBPEKVIMQD-YPMHNXCESA-N 2 0 274.364 2.658 20 0 CFADRP C1C[NH+](C2CCC([NH2+]C3CCCCCCC3)CC2)CCN1 ZINC000841087708 631335733 /nfs/dbraw/zinc/33/57/33/631335733.db2.gz RDKYLPXTCNKNFA-UHFFFAOYSA-N 2 0 293.499 2.905 20 0 CFADRP [NH3+]C1CCC([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000841095362 631338165 /nfs/dbraw/zinc/33/81/65/631338165.db2.gz KHSWBCFMZWDRCK-ABHNRTSZSA-N 2 0 284.403 2.733 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@H](O)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000841095872 631338256 /nfs/dbraw/zinc/33/82/56/631338256.db2.gz PQXVTBKYIPZTJA-CLCXKQKWSA-N 2 0 298.430 2.851 20 0 CFADRP Cc1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)n(C)n1 ZINC000841862323 631483217 /nfs/dbraw/zinc/48/32/17/631483217.db2.gz KWYURKKUKHADQO-UHFFFAOYSA-N 2 0 292.471 2.864 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000925489529 635688619 /nfs/dbraw/zinc/68/86/19/635688619.db2.gz ZIWMJPIGMFOSBW-CHWSQXEVSA-N 2 0 256.459 2.625 20 0 CFADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000842471864 631639747 /nfs/dbraw/zinc/63/97/47/631639747.db2.gz DJPYHZPKKUPHID-BPQIPLTHSA-N 2 0 288.435 2.574 20 0 CFADRP c1csc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000842474268 631640530 /nfs/dbraw/zinc/64/05/30/631640530.db2.gz LVELOCHVRLHZBK-DZGCQCFKSA-N 2 0 264.438 2.755 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842668263 631698752 /nfs/dbraw/zinc/69/87/52/631698752.db2.gz GEHYMBVZJAOVIH-PBHICJAKSA-N 2 0 276.424 2.794 20 0 CFADRP Cc1cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cnc1Cl ZINC000843053034 631818071 /nfs/dbraw/zinc/81/80/71/631818071.db2.gz YIHIBYSSACJKRJ-AAEUAGOBSA-N 2 0 267.804 2.603 20 0 CFADRP C[N@H+](Cc1cnc2ccc(Cl)cn12)C1CCC([NH3+])CC1 ZINC000843055719 631819172 /nfs/dbraw/zinc/81/91/72/631819172.db2.gz LNTFEVVWISQWFU-UHFFFAOYSA-N 2 0 292.814 2.689 20 0 CFADRP Cn1cc(C[NH2+]C2CCC([NH3+])CC2)c(C2CCCCC2)n1 ZINC000843104453 631836615 /nfs/dbraw/zinc/83/66/15/631836615.db2.gz KBISXHNMMLBNGI-UHFFFAOYSA-N 2 0 290.455 2.827 20 0 CFADRP COc1cccc2cc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)oc21 ZINC000843126610 631845495 /nfs/dbraw/zinc/84/54/95/631845495.db2.gz LTPSAOFFQWKYBD-DZGCQCFKSA-N 2 0 286.375 2.625 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843127448 631846394 /nfs/dbraw/zinc/84/63/94/631846394.db2.gz PGOXSVXKRXTRIM-WMZOPIPTSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000843127547 631846969 /nfs/dbraw/zinc/84/69/69/631846969.db2.gz PZWKLTXIUNNTAT-UHFFFAOYSA-N 2 0 278.425 2.543 20 0 CFADRP CCOc1ccc(C[NH2+]CCCCCC[NH3+])cc1 ZINC000843128521 631847795 /nfs/dbraw/zinc/84/77/95/631847795.db2.gz LRSIFWMGHHZAOD-UHFFFAOYSA-N 2 0 250.386 2.694 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843340472 631931382 /nfs/dbraw/zinc/93/13/82/631931382.db2.gz MZDJDLGRWCMHPT-ARFHVFGLSA-N 2 0 258.409 2.781 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843341645 631932720 /nfs/dbraw/zinc/93/27/20/631932720.db2.gz KTUHTVOZSDVLFO-HUUCEWRRSA-N 2 0 270.461 2.935 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)no1 ZINC000843356827 631935183 /nfs/dbraw/zinc/93/51/83/631935183.db2.gz DAZWZGGWRAERQA-HNNXBMFYSA-N 2 0 263.385 2.510 20 0 CFADRP Cc1cccc2c1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000843358586 631936953 /nfs/dbraw/zinc/93/69/53/631936953.db2.gz SKVGCTIHFUGIOY-UHFFFAOYSA-N 2 0 258.409 2.743 20 0 CFADRP C[NH2+]CCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000843358451 631937460 /nfs/dbraw/zinc/93/74/60/631937460.db2.gz NPCDTYNEDPBVRQ-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843363334 631938144 /nfs/dbraw/zinc/93/81/44/631938144.db2.gz XXVVLRDETDDKAT-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000813876968 631971351 /nfs/dbraw/zinc/97/13/51/631971351.db2.gz FVQOMIRHAHYKJH-KGLIPLIRSA-N 2 0 264.413 2.934 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000844166975 632130542 /nfs/dbraw/zinc/13/05/42/632130542.db2.gz XWXOONUGMQDJBH-UHFFFAOYSA-N 2 0 297.487 2.522 20 0 CFADRP CO[C@H](C)c1nc(C[N@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000844220865 632136315 /nfs/dbraw/zinc/13/63/15/632136315.db2.gz NCVQUXRCQYWYII-XSRFYTQQSA-N 2 0 283.441 2.552 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCSC(C)(C)C)C2)C1 ZINC000815143619 632216512 /nfs/dbraw/zinc/21/65/12/632216512.db2.gz BJMVICLUBUVPCP-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[C@@]1(F)Cl ZINC000844922400 632336964 /nfs/dbraw/zinc/33/69/64/632336964.db2.gz DLIYAHBQUXZHJD-RNJOBUHISA-N 2 0 262.800 2.941 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccnc1Cl ZINC000844923411 632337528 /nfs/dbraw/zinc/33/75/28/632337528.db2.gz GCCISVOMAYNTMZ-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccnc(Cl)c1 ZINC000844924712 632338971 /nfs/dbraw/zinc/33/89/71/632338971.db2.gz ZSRDLBVFLVTBHT-JTQLQIEISA-N 2 0 253.777 2.515 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000925485589 632411622 /nfs/dbraw/zinc/41/16/22/632411622.db2.gz NXPSVCQVYSBUOJ-OAGGEKHMSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000845996893 632610284 /nfs/dbraw/zinc/61/02/84/632610284.db2.gz SZKGEFULVFSDNN-CHWSQXEVSA-N 2 0 296.377 2.664 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCC2 ZINC000846176950 632654139 /nfs/dbraw/zinc/65/41/39/632654139.db2.gz KGZOZXQJWKETRC-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CCc1ccccc1NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000846217174 632663504 /nfs/dbraw/zinc/66/35/04/632663504.db2.gz BZHQAGYBYOUFEH-UHFFFAOYSA-N 2 0 291.439 2.638 20 0 CFADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217886 632663952 /nfs/dbraw/zinc/66/39/52/632663952.db2.gz IARYRCLYMYUSBG-JKSUJKDBSA-N 2 0 297.487 2.522 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219063 632664152 /nfs/dbraw/zinc/66/41/52/632664152.db2.gz FARYMCVILLVGBG-UONOGXRCSA-N 2 0 256.434 2.641 20 0 CFADRP C[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCCCCC[NH3+] ZINC000846220640 632667069 /nfs/dbraw/zinc/66/70/69/632667069.db2.gz SQXISKXMOHOHNR-OAHLLOKOSA-N 2 0 275.440 2.846 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000817891307 632717909 /nfs/dbraw/zinc/71/79/09/632717909.db2.gz JXSGJLRYRXEQLW-MELADBBJSA-N 2 0 279.815 2.745 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817892103 632718186 /nfs/dbraw/zinc/71/81/86/632718186.db2.gz QTIKOUBAWMBHBV-KGLIPLIRSA-N 2 0 289.423 2.591 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000817889394 632718756 /nfs/dbraw/zinc/71/87/56/632718756.db2.gz UGDKKAUFDDIKDO-YOEHRIQHSA-N 2 0 276.424 2.952 20 0 CFADRP CCCCC[C@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817894453 632720789 /nfs/dbraw/zinc/72/07/89/632720789.db2.gz ZATTVQKJFYKTFM-GJZGRUSLSA-N 2 0 298.471 2.866 20 0 CFADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817894990 632720857 /nfs/dbraw/zinc/72/08/57/632720857.db2.gz QBSIQZSVPOTMFV-RHSMWYFYSA-N 2 0 294.439 2.614 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000817897089 632720963 /nfs/dbraw/zinc/72/09/63/632720963.db2.gz DTFRMYLJAKFAKD-BVUBDWEXSA-N 2 0 278.465 2.819 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000817897411 632721724 /nfs/dbraw/zinc/72/17/24/632721724.db2.gz OLWQLLOADUXIDX-JYJNAYRXSA-N 2 0 275.440 2.679 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1OC ZINC000817898989 632722665 /nfs/dbraw/zinc/72/26/65/632722665.db2.gz MUFNTXLRJJSUSI-OBJOEFQTSA-N 2 0 250.386 2.862 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817898552 632723226 /nfs/dbraw/zinc/72/32/26/632723226.db2.gz IRRGFTLETCDYEW-SJORKVTESA-N 2 0 285.391 2.958 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000817899555 632723742 /nfs/dbraw/zinc/72/37/42/632723742.db2.gz HAQQMPLJCFZAPT-FGTMMUONSA-N 2 0 287.451 2.999 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901070 632723823 /nfs/dbraw/zinc/72/38/23/632723823.db2.gz SDABWZATZOJVRJ-BFWZDYSYSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1ccccc1 ZINC000817900557 632724182 /nfs/dbraw/zinc/72/41/82/632724182.db2.gz NIXATMIOUVHEQL-MAUKXSAKSA-N 2 0 283.419 2.647 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817901860 632725699 /nfs/dbraw/zinc/72/56/99/632725699.db2.gz YVHFSVUBZFVKIE-BRWVUGGUSA-N 2 0 273.424 2.609 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904677 632726750 /nfs/dbraw/zinc/72/67/50/632726750.db2.gz GFZZEJDTQCCVFR-OTWHNJEPSA-N 2 0 298.430 2.980 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904672 632727302 /nfs/dbraw/zinc/72/73/02/632727302.db2.gz GFZZEJDTQCCVFR-FHWLQOOXSA-N 2 0 298.430 2.980 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000817904557 632727408 /nfs/dbraw/zinc/72/74/08/632727408.db2.gz CWEUYQBKWMYNGW-RWEMILLDSA-N 2 0 291.222 2.742 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904894 632727919 /nfs/dbraw/zinc/72/79/19/632727919.db2.gz GORGBSQMTKBEKV-KSZLIROESA-N 2 0 284.403 2.590 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905794 632728224 /nfs/dbraw/zinc/72/82/24/632728224.db2.gz SXUHKXUJAIQMSK-WWGRRREGSA-N 2 0 282.403 2.745 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817912376 632730963 /nfs/dbraw/zinc/73/09/63/632730963.db2.gz IJLSDXFCZATDKR-SYQHCUMBSA-N 2 0 282.453 2.538 20 0 CFADRP C[C@@H]1CCNC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914150 632732191 /nfs/dbraw/zinc/73/21/91/632732191.db2.gz RUPGSDBRAYECTN-IAGOWNOFSA-N 2 0 281.488 2.620 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])CCC2 ZINC000817921609 632734442 /nfs/dbraw/zinc/73/44/42/632734442.db2.gz CYBCQXPXNDTEFE-IQJOONFLSA-N 2 0 253.415 2.544 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@@H](C)CCCC[NH3+])c21 ZINC000817920514 632734582 /nfs/dbraw/zinc/73/45/82/632734582.db2.gz OALNCDLIWVUZGV-ZDUSSCGKSA-N 2 0 289.423 2.826 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817922904 632735420 /nfs/dbraw/zinc/73/54/20/632735420.db2.gz OHECFLHZKYDEBP-WQVCFCJDSA-N 2 0 296.842 2.525 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817924423 632736779 /nfs/dbraw/zinc/73/67/79/632736779.db2.gz XMKMFVQENMKFIP-QWRGUYRKSA-N 2 0 255.793 2.903 20 0 CFADRP CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1c[nH+]ccc1N)CCC2 ZINC000817925265 632737547 /nfs/dbraw/zinc/73/75/47/632737547.db2.gz UOHBAOHCPBSSJX-MLGOLLRUSA-N 2 0 299.422 3.000 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccnc1Cl ZINC000817946967 632749857 /nfs/dbraw/zinc/74/98/57/632749857.db2.gz IVYIVEMEAXTMOH-KPPDAEKUSA-N 2 0 253.777 2.656 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(-c2ccccc2)c1 ZINC000817955067 632754748 /nfs/dbraw/zinc/75/47/48/632754748.db2.gz PSGSOFKFODHRBI-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1ccccc1 ZINC000817955120 632754972 /nfs/dbraw/zinc/75/49/72/632754972.db2.gz QQEYKKFVKJAGHO-HOCLYGCPSA-N 2 0 298.434 2.831 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1ccccc1 ZINC000817955118 632755025 /nfs/dbraw/zinc/75/50/25/632755025.db2.gz QQEYKKFVKJAGHO-GDBMZVCRSA-N 2 0 298.434 2.831 20 0 CFADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817955286 632755110 /nfs/dbraw/zinc/75/51/10/632755110.db2.gz VCBAAWABYLCMHW-CAOSSQGBSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817964601 632762647 /nfs/dbraw/zinc/76/26/47/632762647.db2.gz FNOKDDRJUUYFIB-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000817964394 632762895 /nfs/dbraw/zinc/76/28/95/632762895.db2.gz BBXWEENDSDCTAD-MRXNPFEDSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817964653 632762963 /nfs/dbraw/zinc/76/29/63/632762963.db2.gz HEAAQNNOHYVOKQ-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817968420 632767787 /nfs/dbraw/zinc/76/77/87/632767787.db2.gz SGSKMHZCRPHPTH-INIZCTEOSA-N 2 0 272.392 2.582 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000817971094 632771415 /nfs/dbraw/zinc/77/14/15/632771415.db2.gz ALYPALUSKHOIEL-BRWVUGGUSA-N 2 0 294.483 2.951 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817981319 632777755 /nfs/dbraw/zinc/77/77/55/632777755.db2.gz QYGHCBNTZNXAKI-YPMHNXCESA-N 2 0 267.804 2.918 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817983725 632779657 /nfs/dbraw/zinc/77/96/57/632779657.db2.gz JGITXFVNXRRNRE-ZDUSSCGKSA-N 2 0 272.392 2.582 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCO2 ZINC000817985986 632782073 /nfs/dbraw/zinc/78/20/73/632782073.db2.gz OYFVOUDPUWCQIB-CJNGLKHVSA-N 2 0 286.419 2.947 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccnc(Cl)c1 ZINC000817985024 632782115 /nfs/dbraw/zinc/78/21/15/632782115.db2.gz FQUMNKJUBIMISU-IGHBBLSQSA-N 2 0 279.815 2.774 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000817985256 632782270 /nfs/dbraw/zinc/78/22/70/632782270.db2.gz ILEFVECDTMOIKW-OSMBCOQSSA-N 2 0 286.419 2.660 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC2(Br)CC2)CC1 ZINC000846780635 632796541 /nfs/dbraw/zinc/79/65/41/632796541.db2.gz NDDYEOIVIJCOOU-UHFFFAOYSA-N 2 0 289.261 2.578 20 0 CFADRP Cc1ccc(OCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000818340991 632832838 /nfs/dbraw/zinc/83/28/38/632832838.db2.gz UPFGXWVATQOHLZ-INIZCTEOSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000818968641 632917513 /nfs/dbraw/zinc/91/75/13/632917513.db2.gz DHEYBJKSNCSKBV-RHSMWYFYSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000818968679 632917518 /nfs/dbraw/zinc/91/75/18/632917518.db2.gz FCPZXOYOEIIXBL-CRAIPNDOSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000818971130 632918380 /nfs/dbraw/zinc/91/83/80/632918380.db2.gz YGXBOCCCJUKPDJ-FUHWJXTLSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000818985175 632922841 /nfs/dbraw/zinc/92/28/41/632922841.db2.gz PZOFLVBAGAIZLW-RHSMWYFYSA-N 2 0 294.414 2.569 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000819081596 632956700 /nfs/dbraw/zinc/95/67/00/632956700.db2.gz MYKDPCMTYZDEEC-IAGOWNOFSA-N 2 0 292.467 2.984 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000819083002 632958554 /nfs/dbraw/zinc/95/85/54/632958554.db2.gz UCMDMBMMQMOIOA-IRXDYDNUSA-N 2 0 292.467 2.984 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000819115928 632971757 /nfs/dbraw/zinc/97/17/57/632971757.db2.gz QRZMUEDEFLXSIC-MMNRESRNSA-N 2 0 288.435 2.633 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000819183416 633000759 /nfs/dbraw/zinc/00/07/59/633000759.db2.gz WKVCTRHFAZQSPH-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP CCCCCC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000819219355 633024732 /nfs/dbraw/zinc/02/47/32/633024732.db2.gz CLVMKHVBKSIXRG-HOCLYGCPSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](CC[NH2+]C[C@H](O)c1ccccc1)[NH+]1CCCCC1 ZINC000819231395 633028675 /nfs/dbraw/zinc/02/86/75/633028675.db2.gz VMKBGQXDMGWZHU-WBVHZDCISA-N 2 0 276.424 2.574 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819366164 633132379 /nfs/dbraw/zinc/13/23/79/633132379.db2.gz KIESZYYNIQAYQY-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000819366489 633132821 /nfs/dbraw/zinc/13/28/21/633132821.db2.gz QRRKGMMSTZZAAS-CVEARBPZSA-N 2 0 270.461 2.639 20 0 CFADRP CC(C)c1ccccc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000848533353 633280195 /nfs/dbraw/zinc/28/01/95/633280195.db2.gz KERUMJUMCWSSTL-INIZCTEOSA-N 2 0 289.467 2.536 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848558509 633288653 /nfs/dbraw/zinc/28/86/53/633288653.db2.gz QPXMPIBNVUUMEZ-UKPHBRMFSA-N 2 0 258.409 2.912 20 0 CFADRP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848561814 633289879 /nfs/dbraw/zinc/28/98/79/633289879.db2.gz CRBBQCLDQBVEPL-TXEJJXNPSA-N 2 0 298.862 2.627 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848716890 633322769 /nfs/dbraw/zinc/32/27/69/633322769.db2.gz KTXMTFANGYIBFV-BRWVUGGUSA-N 2 0 290.451 2.877 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000848718293 633323727 /nfs/dbraw/zinc/32/37/27/633323727.db2.gz HZAILXSFQKHWIZ-CABCVRRESA-N 2 0 261.413 2.502 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848720666 633324198 /nfs/dbraw/zinc/32/41/98/633324198.db2.gz QODPOYOGBVZEDX-YVSFHVDLSA-N 2 0 276.424 2.748 20 0 CFADRP C[NH+](C)C1(CNC(=[NH2+])N2CCCCC2)CCCCCC1 ZINC000848982256 633415666 /nfs/dbraw/zinc/41/56/66/633415666.db2.gz UHVTVLWNPOSHPH-UHFFFAOYSA-N 2 0 280.460 2.651 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000848984061 633416753 /nfs/dbraw/zinc/41/67/53/633416753.db2.gz JDKFAVSIHZVMRN-ZIAGYGMSSA-N 2 0 270.465 2.655 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+](C)C(C)C)c1 ZINC000848987557 633418247 /nfs/dbraw/zinc/41/82/47/633418247.db2.gz GNYUHGHEAVKATH-UHFFFAOYSA-N 2 0 276.428 2.970 20 0 CFADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000848993975 633422086 /nfs/dbraw/zinc/42/20/86/633422086.db2.gz ABQRYZXZSCOUIS-UHFFFAOYSA-N 2 0 284.354 2.679 20 0 CFADRP CCc1cccc(NC(=[NH2+])NCC2CC[NH+](CC)CC2)c1 ZINC000848996013 633451397 /nfs/dbraw/zinc/45/13/97/633451397.db2.gz AGUCFXGUAGHMEH-UHFFFAOYSA-N 2 0 288.439 2.917 20 0 CFADRP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849006911 633457321 /nfs/dbraw/zinc/45/73/21/633457321.db2.gz FOWIRRRCNPRQST-OAHLLOKOSA-N 2 0 280.460 2.553 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC1=CC[N@H+](C)CC1 ZINC000849016969 633462308 /nfs/dbraw/zinc/46/23/08/633462308.db2.gz URPVZILWQVLVHM-AWEZNQCLSA-N 2 0 280.460 2.577 20 0 CFADRP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCC ZINC000849027704 633468172 /nfs/dbraw/zinc/46/81/72/633468172.db2.gz HBBDJBXVHOZAQW-AWEZNQCLSA-N 2 0 268.449 2.555 20 0 CFADRP CC[N@H+](CCCNC(=[NH2+])N(C)C1CC1)C1CCCCC1 ZINC000849046708 633479734 /nfs/dbraw/zinc/47/97/34/633479734.db2.gz JOIWTNRLGUHMOY-UHFFFAOYSA-N 2 0 280.460 2.650 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000849111291 633487217 /nfs/dbraw/zinc/48/72/17/633487217.db2.gz XRNZUIAFNXSEDU-AWEZNQCLSA-N 2 0 280.460 2.507 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000850506459 634022106 /nfs/dbraw/zinc/02/21/06/634022106.db2.gz BMMPRYCJRLHABS-GDBMZVCRSA-N 2 0 274.408 2.996 20 0 CFADRP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000850579139 634059270 /nfs/dbraw/zinc/05/92/70/634059270.db2.gz SKPHPTNZDYTVMN-MQVJKMGUSA-N 2 0 274.408 2.718 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850584284 634060439 /nfs/dbraw/zinc/06/04/39/634060439.db2.gz QMPNPMOHPYDJNA-PBHICJAKSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925487297 634147131 /nfs/dbraw/zinc/14/71/31/634147131.db2.gz BNTRPBSEVYTEHA-PMPSAXMXSA-N 2 0 276.399 2.734 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000853093074 634901658 /nfs/dbraw/zinc/90/16/58/634901658.db2.gz AVFMGCBJGRCXAY-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000853249141 634951240 /nfs/dbraw/zinc/95/12/40/634951240.db2.gz NOQLGBSWBDGDCX-CJNGLKHVSA-N 2 0 274.408 2.804 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221369 635260783 /nfs/dbraw/zinc/26/07/83/635260783.db2.gz LBJMJACXVJSOOC-BMGDILEWSA-N 2 0 284.403 2.590 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000854230092 635266667 /nfs/dbraw/zinc/26/66/67/635266667.db2.gz GUWFGLDZMUDSHO-CZUORRHYSA-N 2 0 294.439 2.866 20 0 CFADRP CCCCOCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925489792 635729595 /nfs/dbraw/zinc/72/95/95/635729595.db2.gz RPTGHLRJYAFLBR-KBPBESRZSA-N 2 0 256.434 2.689 20 0 CFADRP CCCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591257 635835151 /nfs/dbraw/zinc/83/51/51/635835151.db2.gz LPUMEZDXKAIKOV-KRWDZBQOSA-N 2 0 291.439 2.787 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925490712 635846120 /nfs/dbraw/zinc/84/61/20/635846120.db2.gz AQTGKNIGBXBZOD-ZWKOTPCHSA-N 2 0 288.435 2.953 20 0 CFADRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857848522 636032081 /nfs/dbraw/zinc/03/20/81/636032081.db2.gz JTAAAQUDOJINTO-ZIAGYGMSSA-N 2 0 287.411 2.688 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2Cl)CC1(C)C ZINC000858142784 636137651 /nfs/dbraw/zinc/13/76/51/636137651.db2.gz MIUQGSURBNFLPP-IUODEOHRSA-N 2 0 296.842 2.836 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc[nH+]c(CO)c2)C1 ZINC000858352323 636204325 /nfs/dbraw/zinc/20/43/25/636204325.db2.gz YQTVUDOOBCUTDC-HUUCEWRRSA-N 2 0 291.439 2.744 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858444462 636243212 /nfs/dbraw/zinc/24/32/12/636243212.db2.gz WWIDQDDELPPKNS-RHSMWYFYSA-N 2 0 297.402 2.649 20 0 CFADRP OCc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858520454 636281480 /nfs/dbraw/zinc/28/14/80/636281480.db2.gz ACFCWWPCVIPLNU-INIZCTEOSA-N 2 0 297.402 2.508 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCO[C@@H]2CC2(F)F)cc1 ZINC000859212121 636505835 /nfs/dbraw/zinc/50/58/35/636505835.db2.gz GBGDQJMOSMDKFJ-OAHLLOKOSA-N 2 0 298.377 2.604 20 0 CFADRP C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)O1 ZINC000859213003 636507591 /nfs/dbraw/zinc/50/75/91/636507591.db2.gz QCIIPMGHJNBHPD-YOEHRIQHSA-N 2 0 276.424 2.748 20 0 CFADRP C[N@H+](CCc1cccs1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841227 637314263 /nfs/dbraw/zinc/31/42/63/637314263.db2.gz ZIMGOFKZMLMFNR-CYBMUJFWSA-N 2 0 252.427 2.564 20 0 CFADRP C[C@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)C1C[NH2+]C1 ZINC000863545912 637691551 /nfs/dbraw/zinc/69/15/51/637691551.db2.gz IWRNAESQNVQEOH-JTQLQIEISA-N 2 0 279.334 2.734 20 0 CFADRP [NH3+]CCCCCCCN1CCCc2cccc(C[NH3+])c21 ZINC000863552197 637694630 /nfs/dbraw/zinc/69/46/30/637694630.db2.gz KKCBCRSCHXEZBT-UHFFFAOYSA-N 2 0 275.440 2.807 20 0 CFADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](CC[C@@H]4CC[NH2+]C4)C[C@H]32)cc1 ZINC000863556461 637694658 /nfs/dbraw/zinc/69/46/58/637694658.db2.gz DCSJAOHTKDYMLE-LEUOFYLZSA-N 2 0 270.420 2.722 20 0 CFADRP CCCCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863573204 637699933 /nfs/dbraw/zinc/69/99/33/637699933.db2.gz SYUMOUAPXCBHED-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH2+]C[C@@H](O)c1cccc(-c2cccc(C[NH+](C)C)c2)c1 ZINC000863691370 637748188 /nfs/dbraw/zinc/74/81/88/637748188.db2.gz BQFRBCZXVJZKBP-GOSISDBHSA-N 2 0 284.403 2.668 20 0 CFADRP C[NH2+]C[C@@H](O)c1cccc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC000863692639 637748259 /nfs/dbraw/zinc/74/82/59/637748259.db2.gz YHLJNICPEFZBBS-GOSISDBHSA-N 2 0 284.403 2.668 20 0 CFADRP CCc1nc(C)cn1Cc1ccc(CN2CCOCC2)cc1 ZINC000865394773 638306231 /nfs/dbraw/zinc/30/62/31/638306231.db2.gz YOZYZUNJUXRZLM-UHFFFAOYSA-N 2 0 299.418 2.634 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865435830 638333170 /nfs/dbraw/zinc/33/31/70/638333170.db2.gz ORAMZLBEQGYEMR-UHFFFAOYSA-N 2 0 276.211 2.820 20 0 CFADRP C[NH+](C)CC1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865447687 638341468 /nfs/dbraw/zinc/34/14/68/638341468.db2.gz LSITWCWMSAGIKG-UHFFFAOYSA-N 2 0 287.329 2.878 20 0 CFADRP CN(C)c1ccc(F)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000865600588 638450561 /nfs/dbraw/zinc/45/05/61/638450561.db2.gz RDRDSEQJEBGOGR-AWEZNQCLSA-N 2 0 293.430 2.713 20 0 CFADRP Cc1cnccc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716647 638531701 /nfs/dbraw/zinc/53/17/01/638531701.db2.gz CMCNHMOTWQTFOQ-UHFFFAOYSA-N 2 0 275.440 2.990 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cnn(C)c2Cl)CC1 ZINC000865716615 638531807 /nfs/dbraw/zinc/53/18/07/638531807.db2.gz BGVOPFBZHGHOMQ-UHFFFAOYSA-N 2 0 298.862 2.674 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000865717318 638533116 /nfs/dbraw/zinc/53/31/16/638533116.db2.gz WHRUCMVETDEAIT-NVXWUHKLSA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCO1 ZINC000865744169 638548393 /nfs/dbraw/zinc/54/83/93/638548393.db2.gz NXIAVWCPCAVOEH-ILXRZTDVSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccccc43)CC[C@@H]21 ZINC000866204209 638769699 /nfs/dbraw/zinc/76/96/99/638769699.db2.gz BDKJGMPUHDHEKC-CJNGLKHVSA-N 2 0 267.376 2.765 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866211758 638771315 /nfs/dbraw/zinc/77/13/15/638771315.db2.gz LSCQCFNFAIUKFJ-OAHLLOKOSA-N 2 0 263.429 2.724 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866217640 638772655 /nfs/dbraw/zinc/77/26/55/638772655.db2.gz HCAPXFDPHUEFPG-HNNXBMFYSA-N 2 0 275.440 2.867 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000866228473 638774826 /nfs/dbraw/zinc/77/48/26/638774826.db2.gz HPFXZDQBMNFUAH-RDJZCZTQSA-N 2 0 272.436 3.000 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866259336 638782413 /nfs/dbraw/zinc/78/24/13/638782413.db2.gz LJOAOGDEYMUCQV-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000866280430 638788469 /nfs/dbraw/zinc/78/84/69/638788469.db2.gz AADZXIYQECUDOV-QEOTZNIISA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000866290746 638790228 /nfs/dbraw/zinc/79/02/28/638790228.db2.gz YGZBOFPTHRQCPG-JYJNAYRXSA-N 2 0 292.467 2.797 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C1CC1 ZINC000866369526 638806957 /nfs/dbraw/zinc/80/69/57/638806957.db2.gz LSEXMIAWQCWUSA-IRXDYDNUSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866373511 638808161 /nfs/dbraw/zinc/80/81/61/638808161.db2.gz OOOZNYWIQZGJTD-OIISXLGYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000866378379 638809500 /nfs/dbraw/zinc/80/95/00/638809500.db2.gz PLBMKKPNVXXWJB-ODIFPOPNSA-N 2 0 275.440 2.865 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000866404113 638815660 /nfs/dbraw/zinc/81/56/60/638815660.db2.gz XWQOVIJHIBQHIC-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866403300 638815734 /nfs/dbraw/zinc/81/57/34/638815734.db2.gz RUQMMXXPVAPQBX-CQSZACIVSA-N 2 0 268.470 2.594 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cnccn2)CC1 ZINC000866467622 638826171 /nfs/dbraw/zinc/82/61/71/638826171.db2.gz MCXUQWPDGGECMP-AWEZNQCLSA-N 2 0 276.428 2.638 20 0 CFADRP COC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)C(C)C ZINC000866467668 638826265 /nfs/dbraw/zinc/82/62/65/638826265.db2.gz NGHBHFCJXYXZDJ-MRXNPFEDSA-N 2 0 270.461 2.758 20 0 CFADRP COC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000866467241 638826276 /nfs/dbraw/zinc/82/62/76/638826276.db2.gz AWJLUXUZLKAXLJ-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000866467846 638826286 /nfs/dbraw/zinc/82/62/86/638826286.db2.gz RUEFBOAHSFBHSD-CQSZACIVSA-N 2 0 278.444 2.581 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)C[C@H]2CCOC2)CC1 ZINC000866467415 638826359 /nfs/dbraw/zinc/82/63/59/638826359.db2.gz HKXVFLPFLMGXOG-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000866469669 638826611 /nfs/dbraw/zinc/82/66/11/638826611.db2.gz PLITULSDAXUSLL-CYBMUJFWSA-N 2 0 264.417 2.571 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866509879 638832623 /nfs/dbraw/zinc/83/26/23/638832623.db2.gz FRPSYNOKAQLYJP-SJLPKXTDSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000866527398 638835355 /nfs/dbraw/zinc/83/53/55/638835355.db2.gz HQADJARFIJWCLX-GDBMZVCRSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000866537370 638838060 /nfs/dbraw/zinc/83/80/60/638838060.db2.gz NQSLAEYNXVHMMS-RDJZCZTQSA-N 2 0 280.456 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)[C@@H](C)C1 ZINC000866542025 638839237 /nfs/dbraw/zinc/83/92/37/638839237.db2.gz DQKHFFHMNAVXBW-NWDGAFQWSA-N 2 0 262.388 2.988 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705310 638868345 /nfs/dbraw/zinc/86/83/45/638868345.db2.gz XQXPYENLIJUYBV-GOSISDBHSA-N 2 0 290.451 2.935 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708660 638869021 /nfs/dbraw/zinc/86/90/21/638869021.db2.gz SQNDGQBRAUSBRK-CZUORRHYSA-N 2 0 261.413 2.840 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCC2SCCS2)C1 ZINC000866708023 638869034 /nfs/dbraw/zinc/86/90/34/638869034.db2.gz LBUIXPMXSCUZTM-CQSZACIVSA-N 2 0 288.526 2.880 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000866710600 638869512 /nfs/dbraw/zinc/86/95/12/638869512.db2.gz ZMWZGYRDTZGCHL-HLPPOEQASA-N 2 0 250.430 2.729 20 0 CFADRP Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000866719943 638870230 /nfs/dbraw/zinc/87/02/30/638870230.db2.gz FBOFBSJQTXVQEM-HOCLYGCPSA-N 2 0 259.397 2.527 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](CC)CC)[C@H]1CCCOC1 ZINC000872017245 641548583 /nfs/dbraw/zinc/54/85/83/641548583.db2.gz XMJKTKWEXOQBBP-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872029497 641559452 /nfs/dbraw/zinc/55/94/52/641559452.db2.gz QRYKJOUNXSXFOD-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)CC ZINC000872033403 641564395 /nfs/dbraw/zinc/56/43/95/641564395.db2.gz GRBVEPKQBPYZRT-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCCOC1 ZINC000872034914 641565600 /nfs/dbraw/zinc/56/56/00/641565600.db2.gz RRSPQKAIBKFGQS-IKGGRYGDSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872061733 641593188 /nfs/dbraw/zinc/59/31/88/641593188.db2.gz GOOHJQFTVZLCBL-ZDUSSCGKSA-N 2 0 298.402 2.540 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](O)c1ccccc1 ZINC000872134524 641662341 /nfs/dbraw/zinc/66/23/41/641662341.db2.gz WVZARONIALOYIJ-VSZNYVQBSA-N 2 0 288.435 2.715 20 0 CFADRP Clc1ncsc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000872143842 641670238 /nfs/dbraw/zinc/67/02/38/641670238.db2.gz YKPDTIFBWLQBOP-LLVKDONJSA-N 2 0 285.844 2.618 20 0 CFADRP Cc1ccc2c(ccc(C)c2C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000872145829 641672490 /nfs/dbraw/zinc/67/24/90/641672490.db2.gz WPIGZECESVAYGL-UHFFFAOYSA-N 2 0 298.430 2.742 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000872145754 641672581 /nfs/dbraw/zinc/67/25/81/641672581.db2.gz XHSWWUDGEGYIRN-DLTWYDFYSA-N 2 0 280.456 2.641 20 0 CFADRP Cc1ccc(CC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872151327 641673837 /nfs/dbraw/zinc/67/38/37/641673837.db2.gz VFGUFARJCAJSBG-KBPBESRZSA-N 2 0 286.341 2.607 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146117 641674571 /nfs/dbraw/zinc/67/45/71/641674571.db2.gz GAVPXVZPGTWPAW-LSDHHAIUSA-N 2 0 290.455 2.712 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154894 641675130 /nfs/dbraw/zinc/67/51/30/641675130.db2.gz DQPJSSRWWVMCDP-MNOVXSKESA-N 2 0 287.329 2.751 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872154769 641676184 /nfs/dbraw/zinc/67/61/84/641676184.db2.gz YNJSYNVAMVNJMK-NEPJUHHUSA-N 2 0 282.350 2.547 20 0 CFADRP CO[C@H](C[N@H+](C)CCCCCC[NH3+])C1CCCC1 ZINC000872158055 641677004 /nfs/dbraw/zinc/67/70/04/641677004.db2.gz SHGSARMLVQPHGB-OAHLLOKOSA-N 2 0 256.434 2.643 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156241 641677894 /nfs/dbraw/zinc/67/78/94/641677894.db2.gz GUURGYLHRWPSDR-XYJFISCASA-N 3 0 293.499 2.606 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCOC(F)F)C1)C1CCCC1 ZINC000872158900 641678790 /nfs/dbraw/zinc/67/87/90/641678790.db2.gz YXWMRFLNDVITTN-TZMCWYRMSA-N 2 0 290.398 2.845 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCOC(F)F)C1)C1CCCC1 ZINC000872158897 641678935 /nfs/dbraw/zinc/67/89/35/641678935.db2.gz YXWMRFLNDVITTN-GXTWGEPZSA-N 2 0 290.398 2.845 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000872251558 641718213 /nfs/dbraw/zinc/71/82/13/641718213.db2.gz MEGNEQMNINBTQM-LBPRGKRZSA-N 2 0 267.804 2.603 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872468291 641822200 /nfs/dbraw/zinc/82/22/00/641822200.db2.gz BSYWPTRRGDXFBX-ZDUSSCGKSA-N 2 0 259.397 2.737 20 0 CFADRP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000872493159 641831969 /nfs/dbraw/zinc/83/19/69/641831969.db2.gz PNDTUGJCCVMXPZ-SFHVURJKSA-N 2 0 279.387 2.980 20 0 CFADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]c2ccccc21 ZINC000872778732 641932354 /nfs/dbraw/zinc/93/23/54/641932354.db2.gz BKDFRUCYIOSZBD-IAGOWNOFSA-N 2 0 267.376 2.908 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872780599 641935109 /nfs/dbraw/zinc/93/51/09/641935109.db2.gz MKUVJDRCEBXJQB-ZWKOTPCHSA-N 2 0 297.402 2.916 20 0 CFADRP c1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)no1 ZINC000873043433 641993436 /nfs/dbraw/zinc/99/34/36/641993436.db2.gz OBOQYYFKEDXWOU-UHFFFAOYSA-N 2 0 265.401 2.811 20 0 CFADRP COCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCCC1 ZINC000873203303 642065503 /nfs/dbraw/zinc/06/55/03/642065503.db2.gz XQJOAOXKIUAUAK-UHFFFAOYSA-N 2 0 294.464 2.785 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873217907 642071099 /nfs/dbraw/zinc/07/10/99/642071099.db2.gz UKMQMXNXEHNINV-JARUQAPTSA-N 2 0 254.393 2.777 20 0 CFADRP C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000873220037 642072490 /nfs/dbraw/zinc/07/24/90/642072490.db2.gz HZUUVAPNGCNZGF-AWEZNQCLSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873220250 642073696 /nfs/dbraw/zinc/07/36/96/642073696.db2.gz HUKGGTPWYXLEJM-KCXAZCMYSA-N 2 0 250.430 2.933 20 0 CFADRP COCCC1([NH2+]C[C@@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000873224550 642077699 /nfs/dbraw/zinc/07/76/99/642077699.db2.gz FOPGKKJTLJFIAA-CABCVRRESA-N 2 0 268.445 2.561 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000873223894 642078017 /nfs/dbraw/zinc/07/80/17/642078017.db2.gz UESYSQMZIMAORQ-KRWDZBQOSA-N 2 0 290.407 2.612 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+]C2(CCOC)CC[NH2+]CC2)C1 ZINC000873225175 642078447 /nfs/dbraw/zinc/07/84/47/642078447.db2.gz SIIGQCKPGDHKES-CVEARBPZSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000873227037 642079290 /nfs/dbraw/zinc/07/92/90/642079290.db2.gz GBNWINSOQOQZOS-WMLDXEAASA-N 2 0 290.455 2.712 20 0 CFADRP CC[C@@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000873228550 642079411 /nfs/dbraw/zinc/07/94/11/642079411.db2.gz FZRVDZUDTFQRMQ-BHYGNILZSA-N 2 0 258.409 2.722 20 0 CFADRP COCCC1([NH2+]C[C@H]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000873225620 642080282 /nfs/dbraw/zinc/08/02/82/642080282.db2.gz VRRANGKTQNXRNU-GJZGRUSLSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC000873228848 642081306 /nfs/dbraw/zinc/08/13/06/642081306.db2.gz XHVVKBHCFSTANR-RRFJBIMHSA-N 2 0 258.409 2.994 20 0 CFADRP c1[nH]nc2cc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)ccc12 ZINC000873232567 642086299 /nfs/dbraw/zinc/08/62/99/642086299.db2.gz GTRZBZKXZJAHRA-QGZVFWFLSA-N 2 0 298.434 2.965 20 0 CFADRP Cc1ncc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873233071 642086318 /nfs/dbraw/zinc/08/63/18/642086318.db2.gz YNNXPPGQPLZLBO-AWEZNQCLSA-N 2 0 279.453 2.854 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873232398 642086502 /nfs/dbraw/zinc/08/65/02/642086502.db2.gz YLXUUEGPEYSYHB-NXOAAHMSSA-N 2 0 256.393 2.664 20 0 CFADRP C([NH2+][C@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCSC1 ZINC000873232786 642086981 /nfs/dbraw/zinc/08/69/81/642086981.db2.gz LRZQCNBEVPQAHG-KBPBESRZSA-N 2 0 268.470 2.642 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000873232935 642087283 /nfs/dbraw/zinc/08/72/83/642087283.db2.gz SFODUTFDHPORRS-CYBMUJFWSA-N 2 0 279.453 2.854 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000873235807 642088362 /nfs/dbraw/zinc/08/83/62/642088362.db2.gz RDXRXFCEOBNGNA-YPMHNXCESA-N 2 0 279.453 2.643 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000873241314 642090897 /nfs/dbraw/zinc/09/08/97/642090897.db2.gz VRYBPEVEEAZNOQ-XJKCOSOUSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCS1 ZINC000873244972 642093528 /nfs/dbraw/zinc/09/35/28/642093528.db2.gz XCCOMOYPJARGBG-BPUTZDHNSA-N 2 0 278.465 2.820 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])C(F)(F)F ZINC000873247821 642094689 /nfs/dbraw/zinc/09/46/89/642094689.db2.gz UXJWNGAXRVCDIV-NXEZZACHSA-N 2 0 252.324 2.825 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1OC ZINC000873248584 642095787 /nfs/dbraw/zinc/09/57/87/642095787.db2.gz GRSBBMKQRSLZGJ-OBJOEFQTSA-N 2 0 280.412 2.870 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000873250482 642096757 /nfs/dbraw/zinc/09/67/57/642096757.db2.gz GBAFXOPVIVJSRR-WUHRBBMRSA-N 2 0 276.346 2.861 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000873250071 642097190 /nfs/dbraw/zinc/09/71/90/642097190.db2.gz DEBZVZLSHGWSPF-UHOFOFEASA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2ccccc21 ZINC000873252490 642098110 /nfs/dbraw/zinc/09/81/10/642098110.db2.gz OQDSAEVNXBIGPK-MGHWNKPDSA-N 2 0 286.419 2.784 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252839 642098715 /nfs/dbraw/zinc/09/87/15/642098715.db2.gz WJDIBHGDGNUXDE-IMJJTQAJSA-N 2 0 264.388 2.720 20 0 CFADRP FC(F)(F)CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873252736 642098737 /nfs/dbraw/zinc/09/87/37/642098737.db2.gz QTXUPWIXRYAAEI-ZACCUICWSA-N 2 0 282.375 2.545 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873254597 642100003 /nfs/dbraw/zinc/10/00/03/642100003.db2.gz XVYNTFLMWMGKDB-OLUVUFQESA-N 2 0 254.324 2.743 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254493 642100194 /nfs/dbraw/zinc/10/01/94/642100194.db2.gz VGRSXWXTMDLOSR-VHRBIJSZSA-N 2 0 286.341 2.963 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255186 642101048 /nfs/dbraw/zinc/10/10/48/642101048.db2.gz CWFFALNBFPODNF-YHUYYLMFSA-N 2 0 273.424 2.743 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000873254937 642101104 /nfs/dbraw/zinc/10/11/04/642101104.db2.gz BTDQQPVEQBCPDV-ZLIFDBKOSA-N 2 0 285.366 2.637 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255085 642101173 /nfs/dbraw/zinc/10/11/73/642101173.db2.gz CSLQSNNOZFFYDR-QHSOUUPTSA-N 2 0 262.372 2.776 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873256561 642102565 /nfs/dbraw/zinc/10/25/65/642102565.db2.gz PSVWOQCXODBURL-UTUOFQBUSA-N 2 0 284.350 2.984 20 0 CFADRP Cc1cc([C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C2CC2)ccc1F ZINC000873258211 642103634 /nfs/dbraw/zinc/10/36/34/642103634.db2.gz XXIRPYDVOKJMCE-DJSGYFEHSA-N 2 0 262.372 2.912 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000873257754 642103663 /nfs/dbraw/zinc/10/36/63/642103663.db2.gz KECNWTVBYYQIRX-BPLDGKMQSA-N 2 0 284.407 2.569 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCO2 ZINC000873259273 642104502 /nfs/dbraw/zinc/10/45/02/642104502.db2.gz BFKUYGKRPGUGBV-RJZRQDKASA-N 2 0 288.391 2.597 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873263351 642107075 /nfs/dbraw/zinc/10/70/75/642107075.db2.gz IQUHOWJGLHIWIR-LUYZLQTOSA-N 2 0 273.424 2.825 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873267936 642110179 /nfs/dbraw/zinc/11/01/79/642110179.db2.gz MLYCJKZQFDEWHY-CJNGLKHVSA-N 2 0 274.408 2.878 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cn1 ZINC000873267915 642110273 /nfs/dbraw/zinc/11/02/73/642110273.db2.gz MDSJCDUSVVWXMR-OLZOCXBDSA-N 2 0 264.417 2.503 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccn1 ZINC000873268157 642110846 /nfs/dbraw/zinc/11/08/46/642110846.db2.gz SMHWUFUBYYEVPG-CJNGLKHVSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@@H]([NH2+][C@H]1CSCCc2ccccc21)C1CC[NH2+]CC1 ZINC000873268385 642110889 /nfs/dbraw/zinc/11/08/89/642110889.db2.gz VYUVKVFDXWBAFX-DYVFJYSZSA-N 2 0 290.476 2.995 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873267937 642111190 /nfs/dbraw/zinc/11/11/90/642111190.db2.gz MLYCJKZQFDEWHY-CZUORRHYSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000873268213 642111260 /nfs/dbraw/zinc/11/12/60/642111260.db2.gz AGBGFFONZJWIFY-HUUCEWRRSA-N 2 0 298.434 2.911 20 0 CFADRP CCC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccn1 ZINC000873268158 642111277 /nfs/dbraw/zinc/11/12/77/642111277.db2.gz SMHWUFUBYYEVPG-CZUORRHYSA-N 2 0 261.413 2.901 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270172 642111720 /nfs/dbraw/zinc/11/17/20/642111720.db2.gz YFJGFHGFLDWGOW-MNOVXSKESA-N 2 0 268.426 2.795 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C1CC[NH2+]CC1 ZINC000873270747 642112618 /nfs/dbraw/zinc/11/26/18/642112618.db2.gz BKSOLJFBCFMIRE-BLLLJJGKSA-N 2 0 274.408 2.747 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000873270512 642112651 /nfs/dbraw/zinc/11/26/51/642112651.db2.gz VZYBRMGGNNUIIS-STQMWFEESA-N 2 0 274.408 2.660 20 0 CFADRP C[C@H]([NH2+][C@@H](c1cncc(F)c1)C1CC1)C1CC[NH2+]CC1 ZINC000873270735 642112705 /nfs/dbraw/zinc/11/27/05/642112705.db2.gz BDTBFUXPCFPMGQ-MEDUHNTESA-N 2 0 277.387 2.650 20 0 CFADRP C[C@H]([NH2+][C@@H](c1cccnc1)C1CCC1)C1CC[NH2+]CC1 ZINC000873272269 642113420 /nfs/dbraw/zinc/11/34/20/642113420.db2.gz RFCHABWOOWUXIE-SUMWQHHRSA-N 2 0 273.424 2.901 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000873271879 642113460 /nfs/dbraw/zinc/11/34/60/642113460.db2.gz NEOZPTWTLCKGFZ-KSSFIOAISA-N 2 0 272.436 2.912 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873274065 642114178 /nfs/dbraw/zinc/11/41/78/642114178.db2.gz RLAFQJATBRFRDO-DDHJBXDOSA-N 2 0 262.319 2.743 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1noc2cc(F)ccc21 ZINC000873274101 642114259 /nfs/dbraw/zinc/11/42/59/642114259.db2.gz ABFWUQDTHQJNMI-SNVBAGLBSA-N 2 0 265.332 2.574 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288882 642121872 /nfs/dbraw/zinc/12/18/72/642121872.db2.gz BXARGZQGIYWDPP-HOTGVXAUSA-N 2 0 288.435 2.804 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290269 642122994 /nfs/dbraw/zinc/12/29/94/642122994.db2.gz CCOKHSFUCCCQKM-IXDOHACOSA-N 2 0 292.467 2.704 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000873290001 642123071 /nfs/dbraw/zinc/12/30/71/642123071.db2.gz MXIRWFIDCWODDI-HOCLYGCPSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290770 642123151 /nfs/dbraw/zinc/12/31/51/642123151.db2.gz RTJZUUCKFABDLS-BLLLJJGKSA-N 2 0 279.403 2.808 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290985 642123163 /nfs/dbraw/zinc/12/31/63/642123163.db2.gz HOTSVLVVIBHKHT-OWCLPIDISA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000873290865 642123285 /nfs/dbraw/zinc/12/32/85/642123285.db2.gz BJHSTWMOCUXKGE-FXUDXRNXSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H]1CC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)C1 ZINC000873292169 642123901 /nfs/dbraw/zinc/12/39/01/642123901.db2.gz OWDKEISLSZUEAB-IIAWOOMASA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293879 642124543 /nfs/dbraw/zinc/12/45/43/642124543.db2.gz RFNOKGAPAQTWMC-PMPSAXMXSA-N 2 0 280.456 2.704 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293046 642124692 /nfs/dbraw/zinc/12/46/92/642124692.db2.gz XJIFEDCMGPKQRR-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000873293414 642125027 /nfs/dbraw/zinc/12/50/27/642125027.db2.gz MBYVHDVLUOHDEF-FPCVCCKLSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294686 642125841 /nfs/dbraw/zinc/12/58/41/642125841.db2.gz XZBDVXMXNXELBT-KFWWJZLASA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000873294957 642125917 /nfs/dbraw/zinc/12/59/17/642125917.db2.gz WPMILPVVPGDSMM-JKSUJKDBSA-N 2 0 280.456 2.704 20 0 CFADRP CCC[NH+]1CCC(NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000019912925 642204046 /nfs/dbraw/zinc/20/40/46/642204046.db2.gz DYPQIUNITYROKO-MRXNPFEDSA-N 2 0 281.488 2.715 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020520237 642423419 /nfs/dbraw/zinc/42/34/19/642423419.db2.gz GKJJZKOSNJQSIA-MRXNPFEDSA-N 2 0 269.477 2.572 20 0 CFADRP C[C@@H]1C[N@H+](CC2(C)CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000876781345 643007126 /nfs/dbraw/zinc/00/71/26/643007126.db2.gz GJLVHFFPQKRVEN-SJORKVTESA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000876933284 643070178 /nfs/dbraw/zinc/07/01/78/643070178.db2.gz LCHIYMMTPPDYCH-CYBMUJFWSA-N 2 0 296.846 2.732 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877019368 643106097 /nfs/dbraw/zinc/10/60/97/643106097.db2.gz LIFNRAIIRVHWKP-GFCCVEGCSA-N 2 0 279.255 2.892 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000877022675 643108350 /nfs/dbraw/zinc/10/83/50/643108350.db2.gz PQLVKPHCINMERD-OKZBNKHCSA-N 2 0 293.499 2.737 20 0 CFADRP Cc1cnc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC000877077088 643138321 /nfs/dbraw/zinc/13/83/21/643138321.db2.gz WTPBRBNRSFMZLG-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+](CC)CC ZINC000877136509 643171591 /nfs/dbraw/zinc/17/15/91/643171591.db2.gz HMCXGFASDCMDEU-XHSDSOJGSA-N 2 0 289.423 2.560 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089144700 650828448 /nfs/dbraw/zinc/82/84/48/650828448.db2.gz PXWHUXNVHNAJSI-RHSMWYFYSA-N 2 0 276.424 2.830 20 0 CFADRP COCC[N@@H+](Cc1cccc(C)c1)CC1CC[NH+](C)CC1 ZINC000877665137 643441558 /nfs/dbraw/zinc/44/15/58/643441558.db2.gz IUYYFEZUYXBVSY-UHFFFAOYSA-N 2 0 290.451 2.785 20 0 CFADRP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000877664654 643442224 /nfs/dbraw/zinc/44/22/24/643442224.db2.gz SUSIVZOXTAXYDN-FGTMMUONSA-N 2 0 294.483 2.713 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc(C3CC3)o1)CC2 ZINC000877683428 643452573 /nfs/dbraw/zinc/45/25/73/643452573.db2.gz BEDUNKSLJUOPEX-UHFFFAOYSA-N 2 0 289.423 2.860 20 0 CFADRP Cc1nc(F)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684731 643453323 /nfs/dbraw/zinc/45/33/23/643453323.db2.gz VBZVKUMXSWGICY-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP CC[C@@](C)(C[NH2+]CCC1CC[NH+](C(C)C)CC1)OC ZINC000877696949 643459199 /nfs/dbraw/zinc/45/91/99/643459199.db2.gz CLVGZPXAQUSQCK-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000877697236 643459451 /nfs/dbraw/zinc/45/94/51/643459451.db2.gz ITHIBSPAOXIFCL-UHFFFAOYSA-N 2 0 290.455 2.687 20 0 CFADRP CS[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000877700040 643463243 /nfs/dbraw/zinc/46/32/43/643463243.db2.gz ADXYYWDPVJLPGG-CTYIDZIISA-N 2 0 277.437 2.534 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000877742670 643517167 /nfs/dbraw/zinc/51/71/67/643517167.db2.gz QKCNUQHCGRMRKS-OWSLCNJRSA-N 2 0 270.420 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000877743961 643518849 /nfs/dbraw/zinc/51/88/49/643518849.db2.gz NPHFIVYNULSGCQ-ZMSDIMECSA-N 2 0 286.419 2.579 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000877744571 643522585 /nfs/dbraw/zinc/52/25/85/643522585.db2.gz VPJYBKRXFPMOGW-DOTOQJQBSA-N 2 0 281.403 2.761 20 0 CFADRP Cc1cnn(C)c1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767431 643546345 /nfs/dbraw/zinc/54/63/45/643546345.db2.gz IONDKNRZDWVYFC-UHFFFAOYSA-N 2 0 292.471 2.528 20 0 CFADRP COC[C@@H](C)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767578 643546954 /nfs/dbraw/zinc/54/69/54/643546954.db2.gz OMYGTJQVNVTRAO-HNNXBMFYSA-N 2 0 270.461 2.569 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000878105680 643738134 /nfs/dbraw/zinc/73/81/34/643738134.db2.gz BMIAVSVFIHABJZ-XWTMOSNGSA-N 2 0 294.483 2.998 20 0 CFADRP C([C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1)[NH+]1CCCC1 ZINC000878124562 643748722 /nfs/dbraw/zinc/74/87/22/643748722.db2.gz IKCSXBVRPPMSFF-HOTGVXAUSA-N 2 0 278.440 2.506 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)OC1 ZINC000878133795 643754300 /nfs/dbraw/zinc/75/43/00/643754300.db2.gz MQWYKVONXCDDAZ-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878148864 643759895 /nfs/dbraw/zinc/75/98/95/643759895.db2.gz ROEKDPRWOGNDSM-VVLHAWIVSA-N 2 0 280.456 2.608 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878148225 643759993 /nfs/dbraw/zinc/75/99/93/643759993.db2.gz MSIIZTHQKTZYLP-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878148228 643760002 /nfs/dbraw/zinc/76/00/02/643760002.db2.gz MSPZFJCBAFPASW-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878155875 643764169 /nfs/dbraw/zinc/76/41/69/643764169.db2.gz GOFGPOYFUYQCTA-SJORKVTESA-N 2 0 294.483 2.998 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878164426 643770807 /nfs/dbraw/zinc/77/08/07/643770807.db2.gz HLHWCPAJUGHDLZ-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)O3)CC[C@@H]21 ZINC000878196623 643789326 /nfs/dbraw/zinc/78/93/26/643789326.db2.gz HFTVPAPLJTYGCB-PMPSAXMXSA-N 2 0 278.440 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)[C@@H](C)C1 ZINC000878258510 643810864 /nfs/dbraw/zinc/81/08/64/643810864.db2.gz RIRBGDMDDGAQGQ-XHSDSOJGSA-N 2 0 280.456 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(C)(C)CO2)[C@H](C)C1 ZINC000878259108 643812075 /nfs/dbraw/zinc/81/20/75/643812075.db2.gz ZBGVJNHPWFSAEH-PMPSAXMXSA-N 2 0 282.472 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(C)(C)CO2)[C@@H](C)C1 ZINC000878259106 643812488 /nfs/dbraw/zinc/81/24/88/643812488.db2.gz ZBGVJNHPWFSAEH-JYJNAYRXSA-N 2 0 282.472 2.854 20 0 CFADRP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000878311973 643834210 /nfs/dbraw/zinc/83/42/10/643834210.db2.gz CRMJYNKUNZRUDF-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878328787 643842078 /nfs/dbraw/zinc/84/20/78/643842078.db2.gz OFPGEIVKXHPOIU-SQNIBIBYSA-N 2 0 294.483 2.998 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878328782 643842974 /nfs/dbraw/zinc/84/29/74/643842974.db2.gz OFPGEIVKXHPOIU-BZSNNMDCSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCSC(C)(C)C)C2)C1 ZINC000878644853 643971844 /nfs/dbraw/zinc/97/18/44/643971844.db2.gz CXMIGKKCGBLPLJ-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878645884 643972566 /nfs/dbraw/zinc/97/25/66/643972566.db2.gz SESAARRHGWXMRZ-PBHICJAKSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC(C)(C)OC1(C)C)C2 ZINC000878661819 643980925 /nfs/dbraw/zinc/98/09/25/643980925.db2.gz HSKJXZLESCMBGW-CRAIPNDOSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCCC(C)(C)O1)C2 ZINC000878662214 643981898 /nfs/dbraw/zinc/98/18/98/643981898.db2.gz MRDYARXMFANHIM-NVXWUHKLSA-N 2 0 280.456 2.752 20 0 CFADRP c1cc(N2CCC[N@@H+](CCCC3CC3)CC2)cc[nH+]1 ZINC000878747544 644013602 /nfs/dbraw/zinc/01/36/02/644013602.db2.gz LGPIHCROQNNJJW-UHFFFAOYSA-N 2 0 259.397 2.784 20 0 CFADRP COCC[N@H+](CCC=C(C)C)CC1CC[NH+](C)CC1 ZINC000879125394 644152608 /nfs/dbraw/zinc/15/26/08/644152608.db2.gz BFKRLZNKJIELMP-UHFFFAOYSA-N 2 0 268.445 2.633 20 0 CFADRP CO[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CCC1 ZINC000879250980 644194791 /nfs/dbraw/zinc/19/47/91/644194791.db2.gz NWWPQWNVBSPRAB-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)CC2 ZINC000879250257 644195046 /nfs/dbraw/zinc/19/50/46/644195046.db2.gz AJAOGQNGCLVFBV-YESZJQIVSA-N 2 0 292.467 2.752 20 0 CFADRP CCOC(=O)CCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248686 644195100 /nfs/dbraw/zinc/19/51/00/644195100.db2.gz XKNIHUDWGHWDIY-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(CCSc3ccccc3)CC[C@H]21 ZINC000879572112 644329050 /nfs/dbraw/zinc/32/90/50/644329050.db2.gz FJOKGCWSOBGSGZ-GDBMZVCRSA-N 2 0 276.449 2.805 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091847503 650910665 /nfs/dbraw/zinc/91/06/65/650910665.db2.gz JLFFOJPZFMSEBT-UHFFFAOYSA-N 2 0 276.424 2.884 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccsc3)CC[C@@H]21 ZINC000879583763 644339933 /nfs/dbraw/zinc/33/99/33/644339933.db2.gz ZZVYULQMFBXKKN-CABCVRRESA-N 2 0 264.438 2.707 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593425 644343156 /nfs/dbraw/zinc/34/31/56/644343156.db2.gz YSOUWDUGYSFRNV-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)C[N@H+](CCC(=O)OC(C)C)CC1CC[NH+](C)CC1 ZINC000879704693 644389039 /nfs/dbraw/zinc/38/90/39/644389039.db2.gz SZKPRYYRVJALIB-UHFFFAOYSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)C[N@H+](CCC(=O)C(C)C)CC1CC[NH+](C)CC1 ZINC000879703220 644389091 /nfs/dbraw/zinc/38/90/91/644389091.db2.gz GDBYVHZCFQMDAH-UHFFFAOYSA-N 2 0 282.472 2.901 20 0 CFADRP C(C[NH2+]C1([C@@H]2CCCCO2)CCC1)C[NH+]1CCCCC1 ZINC000879734553 644401618 /nfs/dbraw/zinc/40/16/18/644401618.db2.gz LCVYRWXXSLSIKV-INIZCTEOSA-N 2 0 280.456 2.944 20 0 CFADRP CC1([NH+]2CCCCC2)CCN(CC[NH+]2CCCCC2)CC1 ZINC000879948806 644469264 /nfs/dbraw/zinc/46/92/64/644469264.db2.gz LPXOGZVACCZPNN-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950923 644470126 /nfs/dbraw/zinc/47/01/26/644470126.db2.gz DPMWVPHHKDXDJX-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000093210280 650935526 /nfs/dbraw/zinc/93/55/26/650935526.db2.gz ACKIPSXMRAMNIL-NEPJUHHUSA-N 2 0 270.323 2.648 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOC1CCCC1 ZINC000093516522 650941649 /nfs/dbraw/zinc/94/16/49/650941649.db2.gz ZCPXCFBATOATQD-GJZGRUSLSA-N 2 0 268.445 2.846 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccnc(F)c1 ZINC000880516973 644746579 /nfs/dbraw/zinc/74/65/79/644746579.db2.gz GNJGWYRIQYXUCG-UHFFFAOYSA-N 2 0 279.403 2.919 20 0 CFADRP CO[C@H]1C[C@@H](C[N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000880517816 644747985 /nfs/dbraw/zinc/74/79/85/644747985.db2.gz XKYFHIKYNJFPGU-IYBDPMFKSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(F)cc(F)c1 ZINC000094827414 650964666 /nfs/dbraw/zinc/96/46/66/650964666.db2.gz UKWXCZGUCBMMAB-BZFQTPOWSA-N 2 0 254.324 2.885 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000249937907 650969987 /nfs/dbraw/zinc/96/99/87/650969987.db2.gz GRQKINUQZRFYSD-LUKYLMHMSA-N 2 0 281.488 2.617 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250091454 650971506 /nfs/dbraw/zinc/97/15/06/650971506.db2.gz PURDDQJDOACIOQ-RRFJBIMHSA-N 2 0 264.438 2.801 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250827341 650980472 /nfs/dbraw/zinc/98/04/72/650980472.db2.gz YOOOKIFINMVKOU-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251567152 650990521 /nfs/dbraw/zinc/99/05/21/650990521.db2.gz KWTBJPIVRHVMJE-WXHSDQCUSA-N 2 0 284.325 2.918 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096862953 651000600 /nfs/dbraw/zinc/00/06/00/651000600.db2.gz JDDFLVFFTPYFNQ-XQRVVYSFSA-N 2 0 286.419 2.784 20 0 CFADRP CC(C)C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000252431616 651004077 /nfs/dbraw/zinc/00/40/77/651004077.db2.gz MRALPSXASCAVPI-SFHVURJKSA-N 2 0 289.467 2.611 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000252678137 651016473 /nfs/dbraw/zinc/01/64/73/651016473.db2.gz CXPLMJOASMEUKU-AEGPPILISA-N 2 0 292.423 2.872 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)CC[C@H]2C)CC1 ZINC000883172499 645639648 /nfs/dbraw/zinc/63/96/48/645639648.db2.gz ISHOGRVTKQJCTE-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883186256 645648915 /nfs/dbraw/zinc/64/89/15/645648915.db2.gz OEIGIZKMOBUCMQ-KRWDZBQOSA-N 2 0 293.499 2.572 20 0 CFADRP C([C@@H]1CCCO1)N1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883189635 645651646 /nfs/dbraw/zinc/65/16/46/645651646.db2.gz MCTOJLKKGMPCDJ-IRXDYDNUSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000883195297 645655656 /nfs/dbraw/zinc/65/56/56/645655656.db2.gz PJANXTNKJHEXBB-WBVHZDCISA-N 2 0 295.515 2.817 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883196660 645656380 /nfs/dbraw/zinc/65/63/80/645656380.db2.gz UAXRQPSUDPCTQD-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1(CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000883253247 645700478 /nfs/dbraw/zinc/70/04/78/645700478.db2.gz MONZFOFTCQCRBH-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@H](C)C1 ZINC000883259052 645703676 /nfs/dbraw/zinc/70/36/76/645703676.db2.gz ZODUGVJVEKXNDO-NEPJUHHUSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@@H]1[C@H](C)SCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253085761 651036005 /nfs/dbraw/zinc/03/60/05/651036005.db2.gz ZXITUANWSJNHEV-WQGXVZNYSA-N 2 0 268.470 2.733 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000253194993 651039931 /nfs/dbraw/zinc/03/99/31/651039931.db2.gz QYDVCUMMMNIHTF-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@]2(C)OCCc3ccccc32)CC1 ZINC000883340340 645750617 /nfs/dbraw/zinc/75/06/17/645750617.db2.gz ONNOZVHURNMUKS-SFHVURJKSA-N 2 0 288.435 2.548 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000883353975 645757796 /nfs/dbraw/zinc/75/77/96/645757796.db2.gz IGYYBDNXRCENDL-JQHSSLGASA-N 2 0 293.499 2.713 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883416416 645809812 /nfs/dbraw/zinc/80/98/12/645809812.db2.gz UHQAPTBGRYAIOX-IRXDYDNUSA-N 2 0 274.408 2.591 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883416367 645810240 /nfs/dbraw/zinc/81/02/40/645810240.db2.gz SYNBZTGBACDLRJ-OLZOCXBDSA-N 2 0 260.372 2.743 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883417861 645812393 /nfs/dbraw/zinc/81/23/93/645812393.db2.gz POQZNZDDBCVSFD-UBDQQSCGSA-N 2 0 288.435 2.966 20 0 CFADRP CN(C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H](C[NH3+])C1CC1 ZINC000883428182 645822109 /nfs/dbraw/zinc/82/21/09/645822109.db2.gz NLJJNRMLDZWMJF-ULQDDVLXSA-N 2 0 274.408 2.576 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@H](CN)C2CCCCC2)O1 ZINC000883429900 645823859 /nfs/dbraw/zinc/82/38/59/645823859.db2.gz HSKFEGDQOSBCIN-HUUCEWRRSA-N 2 0 268.445 2.831 20 0 CFADRP CC(C)(C)[C@H](CN)[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883429626 645824075 /nfs/dbraw/zinc/82/40/75/645824075.db2.gz ANMQLPYNJLXMTM-JYJNAYRXSA-N 2 0 276.424 2.870 20 0 CFADRP C[NH2+]C[C@H]1CCCCN1CCCOc1ccc(OC)cc1 ZINC000883449533 645837448 /nfs/dbraw/zinc/83/74/48/645837448.db2.gz WCFNYDBGOPTNSJ-OAHLLOKOSA-N 2 0 292.423 2.538 20 0 CFADRP FC(F)(F)C1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000132130911 645882261 /nfs/dbraw/zinc/88/22/61/645882261.db2.gz HIBJDWNODUIDTH-UNXYVOJBSA-N 2 0 264.335 2.697 20 0 CFADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000884190607 646257098 /nfs/dbraw/zinc/25/70/98/646257098.db2.gz IMTLOYGXMIPQNL-HNNXBMFYSA-N 2 0 291.439 2.696 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885924504 646769597 /nfs/dbraw/zinc/76/95/97/646769597.db2.gz RFAUSQFLMNREND-VOKGJARPSA-N 2 0 262.372 2.770 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[NH+]2CCC(C)CC2)c1C ZINC000885924093 646769979 /nfs/dbraw/zinc/76/99/79/646769979.db2.gz GXZUDFZFROBISE-UHFFFAOYSA-N 2 0 278.444 2.628 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885924502 646770034 /nfs/dbraw/zinc/77/00/34/646770034.db2.gz RFAUSQFLMNREND-CSPWOOARSA-N 2 0 262.372 2.770 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCSCC1 ZINC000136363188 646770726 /nfs/dbraw/zinc/77/07/26/646770726.db2.gz AQEYRKDSHWTREA-TZMCWYRMSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C/C=C/c1cccc(F)c1 ZINC000885954071 646781529 /nfs/dbraw/zinc/78/15/29/646781529.db2.gz MSXXHMMPEMFHSM-VUDGCMKMSA-N 2 0 250.361 2.769 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885961389 646785025 /nfs/dbraw/zinc/78/50/25/646785025.db2.gz XBBHGSYZSMNWLL-ROUUACIJSA-N 2 0 294.483 2.857 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885962537 646786312 /nfs/dbraw/zinc/78/63/12/646786312.db2.gz BFNQXZZFONSYOZ-SJORKVTESA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2cccc(F)c2)CC[N@@H+]1C ZINC000886000106 646805001 /nfs/dbraw/zinc/80/50/01/646805001.db2.gz VGZJLJKHSSFDJQ-JZTMSUKMSA-N 2 0 262.372 2.911 20 0 CFADRP C[N@@H+](C[C@H]1CCC2(CCC2)CO1)C[C@H]1CCC[NH+](C)C1 ZINC000886019353 646821224 /nfs/dbraw/zinc/82/12/24/646821224.db2.gz RQBBWWMFWGAUCL-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC3CCCCC3)CC[C@@H]21 ZINC000886044408 646839759 /nfs/dbraw/zinc/83/97/59/646839759.db2.gz WHQMHPFLQCZYFE-WBVHZDCISA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOC3CCCCC3)CC[C@H]21 ZINC000886044405 646839960 /nfs/dbraw/zinc/83/99/60/646839960.db2.gz WHQMHPFLQCZYFE-DOTOQJQBSA-N 2 0 280.456 2.752 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000886143093 646892729 /nfs/dbraw/zinc/89/27/29/646892729.db2.gz SSTAWGNEYAEWFE-ZBFHGGJFSA-N 2 0 273.380 2.772 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000886220417 646926990 /nfs/dbraw/zinc/92/69/90/646926990.db2.gz HVKYGRBWHAPTJD-AEFFLSMTSA-N 2 0 292.467 2.753 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886221035 646927824 /nfs/dbraw/zinc/92/78/24/646927824.db2.gz RSLWHTBASJVCBZ-IXDOHACOSA-N 2 0 262.441 2.840 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CC(C)(C)CO2)CC1(C)C ZINC000886305476 646960751 /nfs/dbraw/zinc/96/07/51/646960751.db2.gz IAEFUBWDEVGFGY-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@]12CCOC2 ZINC000886319448 646967772 /nfs/dbraw/zinc/96/77/72/646967772.db2.gz FDBDNPXQBNVCAP-IRXDYDNUSA-N 2 0 280.456 2.611 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886506127 647021761 /nfs/dbraw/zinc/02/17/61/647021761.db2.gz CZIOICJBARCGNZ-AOCRQIFASA-N 3 0 293.499 2.715 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000886512316 647024965 /nfs/dbraw/zinc/02/49/65/647024965.db2.gz BWOUNKLKPSKCFU-AQFXKWCLSA-N 2 0 280.456 2.942 20 0 CFADRP CCC(O)(CC)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886518633 647025675 /nfs/dbraw/zinc/02/56/75/647025675.db2.gz AZOTZVRYRFLXKM-UHFFFAOYSA-N 2 0 282.472 2.924 20 0 CFADRP CC(C)[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cnn(C)c1 ZINC000886590556 647057365 /nfs/dbraw/zinc/05/73/65/647057365.db2.gz YJUOQEJUUPHFGG-INIZCTEOSA-N 2 0 292.471 2.829 20 0 CFADRP c1cnc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000886601288 647062744 /nfs/dbraw/zinc/06/27/44/647062744.db2.gz OIHLLDZIKPVMNB-MRXNPFEDSA-N 2 0 271.408 2.533 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000886605602 647064304 /nfs/dbraw/zinc/06/43/04/647064304.db2.gz VCEOVXTZRJOACF-LXPRWKDFSA-N 2 0 294.483 2.924 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n(C)n1 ZINC000886606687 647064310 /nfs/dbraw/zinc/06/43/10/647064310.db2.gz DGBGZTJHKFSRTO-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP CC(C)(CO)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617381 647070445 /nfs/dbraw/zinc/07/04/45/647070445.db2.gz LVVZWKIGZYNQLI-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886633588 647078705 /nfs/dbraw/zinc/07/87/05/647078705.db2.gz YYZLHFAJUDZHDK-OBMPSLJJSA-N 3 0 293.499 2.713 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000886638394 647081510 /nfs/dbraw/zinc/08/15/10/647081510.db2.gz SMWIVRBTVMIKRQ-AOCRQIFASA-N 2 0 294.483 2.782 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)[C@H]2CCC[C@H]21 ZINC000886717984 647121024 /nfs/dbraw/zinc/12/10/24/647121024.db2.gz NSNWWUAKJDQRPN-LVQVYYBASA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)[C@@H](C)C1 ZINC000886729052 647124097 /nfs/dbraw/zinc/12/40/97/647124097.db2.gz YYFDZVLAAQCQKX-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886839839 647159122 /nfs/dbraw/zinc/15/91/22/647159122.db2.gz NGUVPURWBUNVNW-MDMSPXHWSA-N 2 0 292.467 2.641 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000886840352 647159151 /nfs/dbraw/zinc/15/91/51/647159151.db2.gz ZTWQOWBMLYDWNR-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])COCc1ccccc1 ZINC000886840168 647159595 /nfs/dbraw/zinc/15/95/95/647159595.db2.gz VEYZPKSGCQQIKN-USXIJHARSA-N 2 0 276.424 2.699 20 0 CFADRP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCC[NH3+] ZINC000886843118 647160426 /nfs/dbraw/zinc/16/04/26/647160426.db2.gz PCPKADDPBHGMQJ-OAHLLOKOSA-N 2 0 250.361 2.572 20 0 CFADRP C([C@@H]1CC[C@@H](C2CC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000886841620 647160783 /nfs/dbraw/zinc/16/07/83/647160783.db2.gz QWBZAUFCPJPYFU-SQNIBIBYSA-N 2 0 292.467 2.656 20 0 CFADRP c1ccc(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886865512 647164264 /nfs/dbraw/zinc/16/42/64/647164264.db2.gz MPFHRVWOOFAKAT-QGZVFWFLSA-N 2 0 258.409 2.695 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874902 647166574 /nfs/dbraw/zinc/16/65/74/647166574.db2.gz ZUWQLDGBEURHHC-KRWDZBQOSA-N 2 0 296.455 2.576 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133251 647222331 /nfs/dbraw/zinc/22/23/31/647222331.db2.gz XHQUEBCRZHTSMR-LSDHHAIUSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCOC(C)(C)C ZINC000887133066 647222568 /nfs/dbraw/zinc/22/25/68/647222568.db2.gz SKTLTQIPUVALDV-HNNXBMFYSA-N 2 0 291.439 2.797 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCCF ZINC000887134535 647223146 /nfs/dbraw/zinc/22/31/46/647223146.db2.gz LIRNXPCSUKXTQX-AWEZNQCLSA-N 2 0 265.376 2.732 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCc1ccncc1 ZINC000887134878 647223537 /nfs/dbraw/zinc/22/35/37/647223537.db2.gz RPLOJZKUGVFPAO-MRXNPFEDSA-N 2 0 296.418 2.620 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1=CCCC1 ZINC000887134430 647223963 /nfs/dbraw/zinc/22/39/63/647223963.db2.gz JQSMHVHQSVYWGT-CQSZACIVSA-N 2 0 257.381 2.702 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000222344555 647261828 /nfs/dbraw/zinc/26/18/28/647261828.db2.gz GNDJBRLHQWTFMP-HUUCEWRRSA-N 2 0 268.445 2.797 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925496091 647869735 /nfs/dbraw/zinc/86/97/35/647869735.db2.gz XFNBCQMQFQGROR-KBPBESRZSA-N 2 0 262.397 2.691 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925498991 647871989 /nfs/dbraw/zinc/87/19/89/647871989.db2.gz LGIFHVOHCDUIDB-CVEARBPZSA-N 2 0 274.408 2.623 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1 ZINC000925500050 647883144 /nfs/dbraw/zinc/88/31/44/647883144.db2.gz WQQPDXWMVFAUNA-GOSISDBHSA-N 2 0 284.403 2.749 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000924525904 647987284 /nfs/dbraw/zinc/98/72/84/647987284.db2.gz HKHPITZNQJWSQN-HNNXBMFYSA-N 3 0 291.483 2.987 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)C[C@@](C)(O)CC)CC1 ZINC000924577212 647998533 /nfs/dbraw/zinc/99/85/33/647998533.db2.gz HNRIATHAUFHXHO-HOCLYGCPSA-N 2 0 270.461 2.780 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)N1CCCC1 ZINC000924630561 648012479 /nfs/dbraw/zinc/01/24/79/648012479.db2.gz GKPPBVVAOXWWTM-DZGCQCFKSA-N 2 0 277.412 2.558 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C(C)(C)CO ZINC000924688155 648027529 /nfs/dbraw/zinc/02/75/29/648027529.db2.gz RBTWQMBFCBUXHS-LSDHHAIUSA-N 2 0 270.461 2.638 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000924687726 648027712 /nfs/dbraw/zinc/02/77/12/648027712.db2.gz OYISNZJHJCIDAA-XHSDSOJGSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924688008 648027914 /nfs/dbraw/zinc/02/79/14/648027914.db2.gz ZDMSOJHLCXXIEM-IXDOHACOSA-N 2 0 289.467 2.970 20 0 CFADRP CSC1CC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000924704353 648031918 /nfs/dbraw/zinc/03/19/18/648031918.db2.gz NFAAVBKQBMJDIA-UHFFFAOYSA-N 2 0 294.464 2.611 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924754109 648042654 /nfs/dbraw/zinc/04/26/54/648042654.db2.gz SVTVBROOSWQAFN-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000924953777 648078000 /nfs/dbraw/zinc/07/80/00/648078000.db2.gz DCNBTOOFNUGBEK-KRWDZBQOSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924955152 648078727 /nfs/dbraw/zinc/07/87/27/648078727.db2.gz MCMQNADGVKKWMT-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924955628 648079055 /nfs/dbraw/zinc/07/90/55/648079055.db2.gz PSZGVHHJFNDROP-MSOLQXFVSA-N 2 0 293.499 2.715 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)c1 ZINC000924957839 648079757 /nfs/dbraw/zinc/07/97/57/648079757.db2.gz IWJVWFRXKFGLGN-HWWDLCQESA-N 2 0 290.451 2.899 20 0 CFADRP C[C@H](NCC[N@H+](C)C1CCCC1)c1cn2c(n1)CCCC2 ZINC000924971495 648083102 /nfs/dbraw/zinc/08/31/02/648083102.db2.gz CSTSNRBYLBCBIO-AWEZNQCLSA-N 2 0 290.455 2.744 20 0 CFADRP CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925040716 648092201 /nfs/dbraw/zinc/09/22/01/648092201.db2.gz KZBLSIRJKXUCFU-XJKSGUPXSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@H]([NH2+]CC1(O)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000925052557 648095094 /nfs/dbraw/zinc/09/50/94/648095094.db2.gz UPYRHLNTJOBBPL-AWEZNQCLSA-N 2 0 276.424 2.704 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCC(C)(C)CO)CC1 ZINC000925130113 648112126 /nfs/dbraw/zinc/11/21/26/648112126.db2.gz MUJZPFJGESDVSB-UHFFFAOYSA-N 2 0 284.488 2.885 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925222324 648135473 /nfs/dbraw/zinc/13/54/73/648135473.db2.gz RNIKNBKWUKSVBO-BOLLXYOYSA-N 2 0 280.456 2.797 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925442325 648169730 /nfs/dbraw/zinc/16/97/30/648169730.db2.gz IBSVJOGYLVYFDV-AEFFLSMTSA-N 2 0 287.451 2.859 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccns1 ZINC000925438533 648170492 /nfs/dbraw/zinc/17/04/92/648170492.db2.gz BVGVKHNBLAPELF-MCIONIFRSA-N 2 0 297.468 2.683 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925474557 648177816 /nfs/dbraw/zinc/17/78/16/648177816.db2.gz CKEFKXWXHPLKOG-BZUAXINKSA-N 2 0 258.409 2.867 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925488227 648182013 /nfs/dbraw/zinc/18/20/13/648182013.db2.gz IOGMJTDBSVCQPK-BIMULSAOSA-N 2 0 265.401 2.848 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925492450 648182054 /nfs/dbraw/zinc/18/20/54/648182054.db2.gz ISNLHQDPVCQIOE-KCPJHIHWSA-N 2 0 262.372 2.789 20 0 CFADRP c1ccc([C@@H](CN[C@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)cc1 ZINC000925491520 648182099 /nfs/dbraw/zinc/18/20/99/648182099.db2.gz DFPPFACFULGIJB-MSOLQXFVSA-N 2 0 299.462 2.698 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925504285 648187790 /nfs/dbraw/zinc/18/77/90/648187790.db2.gz LKAHICMCIOKVKD-BFHYXJOUSA-N 2 0 295.496 2.846 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925512987 648192552 /nfs/dbraw/zinc/19/25/52/648192552.db2.gz GQOCGZVPYYIZPA-KRWDZBQOSA-N 2 0 289.467 2.759 20 0 CFADRP COc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925512189 648192568 /nfs/dbraw/zinc/19/25/68/648192568.db2.gz ANUBNJLQGRVABO-KBPBESRZSA-N 2 0 262.397 2.691 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925516796 648194420 /nfs/dbraw/zinc/19/44/20/648194420.db2.gz IVAVAWJUYZSHBL-GDBMZVCRSA-N 2 0 289.423 2.641 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C[C@@H]([NH3+])C1 ZINC000925517999 648195702 /nfs/dbraw/zinc/19/57/02/648195702.db2.gz CQEWEEAJYHMVSV-CVEARBPZSA-N 2 0 298.434 2.868 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925525169 648199568 /nfs/dbraw/zinc/19/95/68/648199568.db2.gz ANKWUGWRSKWBCA-RRFJBIMHSA-N 2 0 270.461 2.933 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925525687 648200696 /nfs/dbraw/zinc/20/06/96/648200696.db2.gz DQECVDINSNNVIM-UONOGXRCSA-N 2 0 270.461 2.671 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925535719 648205317 /nfs/dbraw/zinc/20/53/17/648205317.db2.gz JVPQCCGTZQRNQR-ULQDDVLXSA-N 2 0 293.499 2.747 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925537265 648205537 /nfs/dbraw/zinc/20/55/37/648205537.db2.gz WHLSHPYONCSACB-HZPDHXFCSA-N 2 0 274.408 2.833 20 0 CFADRP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925538841 648206998 /nfs/dbraw/zinc/20/69/98/648206998.db2.gz UFJSUZOMPZWYKY-CABCVRRESA-N 2 0 275.440 2.618 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925541672 648207752 /nfs/dbraw/zinc/20/77/52/648207752.db2.gz LMBGNQVXVYJFLG-LSDHHAIUSA-N 2 0 276.399 2.963 20 0 CFADRP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541001 648208295 /nfs/dbraw/zinc/20/82/95/648208295.db2.gz GVAWFNNNHOGKCV-OTBWCIGPSA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925541409 648208342 /nfs/dbraw/zinc/20/83/42/648208342.db2.gz IKJHCEKYJJDRPW-SJORKVTESA-N 3 0 293.499 2.604 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]C1(C)C)c1ccsc1 ZINC000925546558 648211889 /nfs/dbraw/zinc/21/18/89/648211889.db2.gz ORAZTYREYKFHIU-CABCVRRESA-N 2 0 295.496 2.861 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]C1(C)C)c1ccsc1 ZINC000925546560 648211915 /nfs/dbraw/zinc/21/19/15/648211915.db2.gz ORAZTYREYKFHIU-HUUCEWRRSA-N 2 0 295.496 2.861 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)s1 ZINC000925554764 648214159 /nfs/dbraw/zinc/21/41/59/648214159.db2.gz AUANAUOQHKZAKQ-STQMWFEESA-N 2 0 281.469 2.798 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925554293 648214814 /nfs/dbraw/zinc/21/48/14/648214814.db2.gz XPLOYLTWPREONX-OAGGEKHMSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C12CCC2 ZINC000925561504 648217261 /nfs/dbraw/zinc/21/72/61/648217261.db2.gz JYWITTXPCSCMCO-GJZGRUSLSA-N 2 0 274.383 2.717 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565621 648219283 /nfs/dbraw/zinc/21/92/83/648219283.db2.gz VJYRVXOBYCXUAQ-WCQYABFASA-N 2 0 281.469 2.744 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925565646 648219568 /nfs/dbraw/zinc/21/95/68/648219568.db2.gz VPMBLHVSENFQLR-NEPJUHHUSA-N 2 0 268.351 2.960 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925565374 648219856 /nfs/dbraw/zinc/21/98/56/648219856.db2.gz QFOBTRFQNREBOX-CVEARBPZSA-N 2 0 270.420 2.886 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(Cl)c1 ZINC000925571255 648222384 /nfs/dbraw/zinc/22/23/84/648222384.db2.gz BTQCWJYZRWLKMX-ILXRZTDVSA-N 2 0 294.826 2.887 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925578830 648225546 /nfs/dbraw/zinc/22/55/46/648225546.db2.gz YVMRXHKJMYICJX-OLEVXBPZSA-N 2 0 282.431 2.613 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C12CCC2 ZINC000925584841 648227676 /nfs/dbraw/zinc/22/76/76/648227676.db2.gz DRYSPOMOLGVMQQ-ZNMIVQPWSA-N 2 0 260.356 2.673 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000925597691 648232369 /nfs/dbraw/zinc/23/23/69/648232369.db2.gz RFABVOCURYSNBV-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)C12CCC2 ZINC000925597125 648232441 /nfs/dbraw/zinc/23/24/41/648232441.db2.gz GOTIVODNNXYWQU-KBPBESRZSA-N 2 0 282.790 2.881 20 0 CFADRP c1coc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925612230 648239087 /nfs/dbraw/zinc/23/90/87/648239087.db2.gz PWGQRXKDCRVUFF-CVEARBPZSA-N 2 0 262.397 2.580 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925614784 648240462 /nfs/dbraw/zinc/24/04/62/648240462.db2.gz KRWDVYXMHCUQDJ-XGUBFFRZSA-N 2 0 268.445 2.686 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1 ZINC000925617910 648240931 /nfs/dbraw/zinc/24/09/31/648240931.db2.gz XRVXJAPGGXJBSZ-DJIMGWMZSA-N 2 0 276.424 2.607 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)[nH]n1 ZINC000925619654 648242904 /nfs/dbraw/zinc/24/29/04/648242904.db2.gz QDJLISXCPUTZDG-SUMWQHHRSA-N 2 0 286.423 2.719 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620035 648243161 /nfs/dbraw/zinc/24/31/61/648243161.db2.gz SLYWUSRBDMRYBC-UWVPOSKDSA-N 2 0 296.458 2.939 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CCCO)c1ccccc1 ZINC000925621477 648243506 /nfs/dbraw/zinc/24/35/06/648243506.db2.gz DPOXWFBVKYAZLE-MTCSXPRVSA-N 2 0 288.435 2.606 20 0 CFADRP COc1cccc(C(C)(C)CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925620979 648244214 /nfs/dbraw/zinc/24/42/14/648244214.db2.gz DZVFQERZZTVQGN-INIZCTEOSA-N 2 0 288.435 2.847 20 0 CFADRP Oc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925623334 648244732 /nfs/dbraw/zinc/24/47/32/648244732.db2.gz ULIHPRYWMKSLLU-MSOLQXFVSA-N 2 0 288.435 2.693 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925624424 648245340 /nfs/dbraw/zinc/24/53/40/648245340.db2.gz XKDXCWZOVHXVEY-HOTGVXAUSA-N 2 0 282.472 2.543 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2Cc3ccccc3C2)C12CCC2 ZINC000925626856 648246316 /nfs/dbraw/zinc/24/63/16/648246316.db2.gz UBVRGUORUPRWSG-IRXDYDNUSA-N 2 0 270.420 2.651 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925627127 648246522 /nfs/dbraw/zinc/24/65/22/648246522.db2.gz WRDNBAVRZUAUAI-CVEARBPZSA-N 2 0 282.472 2.543 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925626916 648246672 /nfs/dbraw/zinc/24/66/72/648246672.db2.gz VDCXIBBSUBKDDK-QZTJIDSGSA-N 2 0 287.451 2.690 20 0 CFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631741 648251303 /nfs/dbraw/zinc/25/13/03/648251303.db2.gz JEBIOAFUTHSDBO-YQQAZPJKSA-N 2 0 291.483 2.514 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925636103 648253406 /nfs/dbraw/zinc/25/34/06/648253406.db2.gz QOUUJEDWCQHFAX-KFWWJZLASA-N 2 0 282.472 2.671 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCCS1 ZINC000925636608 648254619 /nfs/dbraw/zinc/25/46/19/648254619.db2.gz YRICPPOREZAQHW-QWHCGFSZSA-N 2 0 254.443 2.536 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925637138 648254812 /nfs/dbraw/zinc/25/48/12/648254812.db2.gz IGJKDWWFOVYFOB-LEOABGAYSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000925638548 648255858 /nfs/dbraw/zinc/25/58/58/648255858.db2.gz DEYGKJDMGGEFSX-RDJZCZTQSA-N 2 0 289.467 2.787 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925639190 648256259 /nfs/dbraw/zinc/25/62/59/648256259.db2.gz KOCWRLKXBWHICD-OLZOCXBDSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000925646048 648259066 /nfs/dbraw/zinc/25/90/66/648259066.db2.gz SATPLJQPPPNORU-HOTGVXAUSA-N 2 0 260.381 2.749 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000925646052 648259280 /nfs/dbraw/zinc/25/92/80/648259280.db2.gz SATPLJQPPPNORU-HZPDHXFCSA-N 2 0 260.381 2.749 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000925645226 648259311 /nfs/dbraw/zinc/25/93/11/648259311.db2.gz OWYHIUOUYYOAFA-XTXFNFMZSA-N 2 0 290.382 2.755 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925648193 648260045 /nfs/dbraw/zinc/26/00/45/648260045.db2.gz QLZZMIWGIVJQEH-GHYVTOPFSA-N 2 0 293.480 2.921 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925648195 648260390 /nfs/dbraw/zinc/26/03/90/648260390.db2.gz QLZZMIWGIVJQEH-ZZVYKPCYSA-N 2 0 293.480 2.921 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925649839 648261071 /nfs/dbraw/zinc/26/10/71/648261071.db2.gz PICQHXJAYSEHBN-KFWWJZLASA-N 2 0 292.471 2.655 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925650926 648261097 /nfs/dbraw/zinc/26/10/97/648261097.db2.gz SMLNBSDJXPZKPN-CQDKDKBSSA-N 2 0 294.826 2.967 20 0 CFADRP CCOC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925650862 648261645 /nfs/dbraw/zinc/26/16/45/648261645.db2.gz ZPDRSFLZUGSJCY-IHRRRGAJSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000925650991 648261850 /nfs/dbraw/zinc/26/18/50/648261850.db2.gz UKEYKSHOFSQIBG-WBVHZDCISA-N 2 0 289.467 2.787 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C12CCC2 ZINC000925654052 648263619 /nfs/dbraw/zinc/26/36/19/648263619.db2.gz KUOSXWYLXAFNNF-GVDBMIGSSA-N 2 0 291.483 2.643 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925654606 648263786 /nfs/dbraw/zinc/26/37/86/648263786.db2.gz GFBQIJFESIHRPA-FVCCEPFGSA-N 2 0 272.383 2.788 20 0 CFADRP C[C@@H]1CC(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000925654024 648264035 /nfs/dbraw/zinc/26/40/35/648264035.db2.gz KDTCIYXGJFLRLF-HPCJDURASA-N 2 0 280.456 2.556 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C12CCC2 ZINC000925654050 648264343 /nfs/dbraw/zinc/26/43/43/648264343.db2.gz KUOSXWYLXAFNNF-BBWFWOEESA-N 2 0 291.483 2.643 20 0 CFADRP FC1(F)CC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925653722 648264378 /nfs/dbraw/zinc/26/43/78/648264378.db2.gz ZBHAOYYATUSOSJ-OLZOCXBDSA-N 2 0 258.356 2.542 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000925655527 648264847 /nfs/dbraw/zinc/26/48/47/648264847.db2.gz VRZFAKMSIUJOOX-WBVHZDCISA-N 2 0 287.451 2.633 20 0 CFADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)c1 ZINC000925658716 648266757 /nfs/dbraw/zinc/26/67/57/648266757.db2.gz ZCYBLGKKWSCAMO-GCLULJIHSA-N 2 0 286.394 2.658 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C12CCC2 ZINC000925659691 648267645 /nfs/dbraw/zinc/26/76/45/648267645.db2.gz FPLUTXMZFIXPQT-KFWWJZLASA-N 2 0 276.811 2.667 20 0 CFADRP CCSCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925662553 648268731 /nfs/dbraw/zinc/26/87/31/648268731.db2.gz JFVOZEWFDXJNQQ-GJZGRUSLSA-N 2 0 270.486 2.888 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669786 648272620 /nfs/dbraw/zinc/27/26/20/648272620.db2.gz XRFCDFFUYOGNDT-QWHCGFSZSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H]1OCCc2sccc21 ZINC000925671516 648273265 /nfs/dbraw/zinc/27/32/65/648273265.db2.gz CWOVQUWPNLODHS-HPEDKQMDSA-N 2 0 292.448 2.610 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cc21 ZINC000925674928 648274800 /nfs/dbraw/zinc/27/48/00/648274800.db2.gz FNNCNNWJKHOXIJ-LSDHHAIUSA-N 2 0 286.423 2.569 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C2 ZINC000925675502 648275235 /nfs/dbraw/zinc/27/52/35/648275235.db2.gz IGJLTXPWGQTUBM-ARFHVFGLSA-N 2 0 288.435 2.794 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C[C@@H]([NH3+])C1 ZINC000925676966 648275488 /nfs/dbraw/zinc/27/54/88/648275488.db2.gz MTSRHFDFFRHDBT-CVEARBPZSA-N 3 0 281.488 2.748 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676823 648275566 /nfs/dbraw/zinc/27/55/66/648275566.db2.gz MBQQBRSVLKFNMB-NWDGAFQWSA-N 2 0 265.401 2.541 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925692876 648282838 /nfs/dbraw/zinc/28/28/38/648282838.db2.gz RRSDVSKAGIPHOA-CWRNSKLLSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925697355 648285019 /nfs/dbraw/zinc/28/50/19/648285019.db2.gz FAXNTIGQFMIRTG-YRDMIACOSA-N 2 0 292.467 2.687 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000925704791 648287379 /nfs/dbraw/zinc/28/73/79/648287379.db2.gz FIOJCYPXWJYSOS-BZUAXINKSA-N 2 0 293.499 2.889 20 0 CFADRP CCSC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925704222 648287751 /nfs/dbraw/zinc/28/77/51/648287751.db2.gz CSZABJGKINHGRT-RYUDHWBXSA-N 2 0 256.459 2.768 20 0 CFADRP CCSC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925706496 648288310 /nfs/dbraw/zinc/28/83/10/648288310.db2.gz KDZZDHIUZUWHNN-LBPRGKRZSA-N 2 0 254.443 2.536 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnn1C1CCC1 ZINC000925707590 648289961 /nfs/dbraw/zinc/28/99/61/648289961.db2.gz LRJRJYUQEPICPM-CYBMUJFWSA-N 2 0 274.412 2.521 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(F)F ZINC000925709857 648290319 /nfs/dbraw/zinc/29/03/19/648290319.db2.gz OXXVUPUFXZGYTF-CZXHOFHRSA-N 2 0 272.383 2.788 20 0 CFADRP c1coc(CCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925715679 648293995 /nfs/dbraw/zinc/29/39/95/648293995.db2.gz KKHZZBZFROBQGX-DLBZAZTESA-N 2 0 276.424 2.970 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCCC1 ZINC000925716409 648295165 /nfs/dbraw/zinc/29/51/65/648295165.db2.gz QCYZIXBULGALOA-SOUVJXGZSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@H]1CCCS1 ZINC000925722603 648297800 /nfs/dbraw/zinc/29/78/00/648297800.db2.gz MHLYBKSXPITNHL-VGVBULKLSA-N 2 0 268.470 2.768 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925725670 648299308 /nfs/dbraw/zinc/29/93/08/648299308.db2.gz MMVGPCWIQJWIJO-BBWFWOEESA-N 3 0 293.499 2.523 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C12CCC2 ZINC000925728147 648300233 /nfs/dbraw/zinc/30/02/33/648300233.db2.gz JIMWLJLLPAVDIM-HUUCEWRRSA-N 2 0 255.365 2.527 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000925733594 648301762 /nfs/dbraw/zinc/30/17/62/648301762.db2.gz KNPJLOUFZFFFAF-ZJIFWQFVSA-N 2 0 268.445 2.559 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000925731552 648301858 /nfs/dbraw/zinc/30/18/58/648301858.db2.gz TVZSRXCACDOKKG-FPSMNIFISA-N 2 0 292.467 2.702 20 0 CFADRP c1ccc(NC2CC(N[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925733195 648301984 /nfs/dbraw/zinc/30/19/84/648301984.db2.gz TYAQAUQUFGIPSE-OFLPRAFFSA-N 2 0 285.435 2.894 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)C[C@@H]([NH3+])C1 ZINC000925731775 648302341 /nfs/dbraw/zinc/30/23/41/648302341.db2.gz UZUUWKBRDHPNLV-NEPJUHHUSA-N 2 0 289.379 2.529 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925735993 648303555 /nfs/dbraw/zinc/30/35/55/648303555.db2.gz JHICRGRAYZRNFX-VXGBXAGGSA-N 2 0 262.397 2.788 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925735990 648303661 /nfs/dbraw/zinc/30/36/61/648303661.db2.gz JHICRGRAYZRNFX-NEPJUHHUSA-N 2 0 262.397 2.788 20 0 CFADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)CCO2 ZINC000925739926 648305490 /nfs/dbraw/zinc/30/54/90/648305490.db2.gz BPMFPVJCTGCRTB-AWEZNQCLSA-N 2 0 262.397 2.790 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000925760327 648311129 /nfs/dbraw/zinc/31/11/29/648311129.db2.gz PKUUQMVVLWOKJH-GDBMZVCRSA-N 2 0 276.424 2.966 20 0 CFADRP CCc1cccnc1[C@H](C)[NH+]1CCC([NH3+])(CC)CC1 ZINC000925759775 648311600 /nfs/dbraw/zinc/31/16/00/648311600.db2.gz LLHYVBHRKBAETM-ZDUSSCGKSA-N 2 0 261.413 2.908 20 0 CFADRP C[C@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000925771634 648314127 /nfs/dbraw/zinc/31/41/27/648314127.db2.gz NHCCNZUUDLDJEL-SZMVWBNQSA-N 2 0 298.434 2.602 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CCC3)CO2)c2ccccc21 ZINC000925771721 648314799 /nfs/dbraw/zinc/31/47/99/648314799.db2.gz CRIDROVRQDIPGW-DAXOMENPSA-N 2 0 272.392 2.680 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925776823 648319053 /nfs/dbraw/zinc/31/90/53/648319053.db2.gz MMMIPRHBWGGHBE-XQHKEYJVSA-N 2 0 260.372 2.646 20 0 CFADRP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925782078 648320850 /nfs/dbraw/zinc/32/08/50/648320850.db2.gz KOIUJYOPQDTRJA-NWDGAFQWSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925781167 648321303 /nfs/dbraw/zinc/32/13/03/648321303.db2.gz XLOPBJIBOSRNHR-QWHCGFSZSA-N 2 0 268.351 2.890 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000925783471 648321796 /nfs/dbraw/zinc/32/17/96/648321796.db2.gz OVJOCWRFKSXYQS-HZPDHXFCSA-N 2 0 294.389 2.842 20 0 CFADRP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C2CCC2)o1 ZINC000925783512 648321845 /nfs/dbraw/zinc/32/18/45/648321845.db2.gz FHFIOTIWOSRZPJ-WPGHFRTFSA-N 2 0 262.397 2.874 20 0 CFADRP COCCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925784741 648322949 /nfs/dbraw/zinc/32/29/49/648322949.db2.gz KLFMWVOQDZYEFH-KMFMINBZSA-N 2 0 294.414 2.739 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925786139 648323206 /nfs/dbraw/zinc/32/32/06/648323206.db2.gz VZGSVUZBVMSVAA-OLZOCXBDSA-N 2 0 260.372 2.956 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000925785880 648323424 /nfs/dbraw/zinc/32/34/24/648323424.db2.gz PTIJHQNTARMOOV-DIOULYMOSA-N 2 0 262.372 2.722 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000925787694 648324352 /nfs/dbraw/zinc/32/43/52/648324352.db2.gz ZQSAIDFIKIBRIG-XOKHGSTOSA-N 2 0 288.435 2.908 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000925794321 648326274 /nfs/dbraw/zinc/32/62/74/648326274.db2.gz DFNMZGNDLMVDLT-IOASZLSFSA-N 2 0 292.398 2.875 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925797488 648326540 /nfs/dbraw/zinc/32/65/40/648326540.db2.gz HQVSGDQNZSPTRA-MRRJBJDNSA-N 2 0 274.408 2.518 20 0 CFADRP CCC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925797660 648326581 /nfs/dbraw/zinc/32/65/81/648326581.db2.gz OWMKBYFWYQFVDH-RBSFLKMASA-N 2 0 261.413 2.758 20 0 CFADRP CCC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925797658 648326610 /nfs/dbraw/zinc/32/66/10/648326610.db2.gz OWMKBYFWYQFVDH-KFWWJZLASA-N 2 0 261.413 2.758 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000925795799 648326822 /nfs/dbraw/zinc/32/68/22/648326822.db2.gz QHTGFEABEBIURR-WQVCFCJDSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000925801740 648327481 /nfs/dbraw/zinc/32/74/81/648327481.db2.gz WYIOLMNHHBRACY-IJLUTSLNSA-N 2 0 268.351 2.861 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925800523 648327641 /nfs/dbraw/zinc/32/76/41/648327641.db2.gz SKRMBACCPWKANJ-RAIGVLPGSA-N 2 0 279.453 2.664 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803515 648328156 /nfs/dbraw/zinc/32/81/56/648328156.db2.gz QMPWIIBKGJLVRM-JMSVASOKSA-N 2 0 292.398 2.657 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2nccc3c2CCCC3)C[C@@H]([NH3+])C1 ZINC000925806903 648329956 /nfs/dbraw/zinc/32/99/56/648329956.db2.gz SBAQEOBXRYWOAO-CABCVRRESA-N 2 0 287.451 2.956 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809430 648330336 /nfs/dbraw/zinc/33/03/36/648330336.db2.gz IBPURNCEJGUZCN-OAHLLOKOSA-N 2 0 281.488 2.748 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccoc1 ZINC000925809596 648331127 /nfs/dbraw/zinc/33/11/27/648331127.db2.gz RRBGFMSJVQEOHR-OAHLLOKOSA-N 2 0 299.418 2.536 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000925809390 648331168 /nfs/dbraw/zinc/33/11/68/648331168.db2.gz UONHFTWUZRISTI-CQSZACIVSA-N 2 0 278.444 2.631 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2c[nH]c(=O)c3ccccc23)C[C@@H]([NH3+])C1 ZINC000925813510 648331715 /nfs/dbraw/zinc/33/17/15/648331715.db2.gz UPBSKOANCXFEMB-KGLIPLIRSA-N 2 0 299.418 2.936 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@H]3CCC[NH2+]CC3)cc2c1 ZINC000925815289 648332746 /nfs/dbraw/zinc/33/27/46/648332746.db2.gz VSNYHUBMYQUMJK-INIZCTEOSA-N 2 0 269.392 2.509 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000925818932 648332880 /nfs/dbraw/zinc/33/28/80/648332880.db2.gz WIZOQGKQUGIMEH-FUHWJXTLSA-N 3 0 295.515 2.866 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000925819781 648333493 /nfs/dbraw/zinc/33/34/93/648333493.db2.gz ZNVPQPARVNOWEC-MRXNPFEDSA-N 3 0 295.515 2.866 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000925819780 648333587 /nfs/dbraw/zinc/33/35/87/648333587.db2.gz ZNVPQPARVNOWEC-INIZCTEOSA-N 3 0 295.515 2.866 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000925824611 648334476 /nfs/dbraw/zinc/33/44/76/648334476.db2.gz BLNFJXWROJIVGG-ZZUVVDEGSA-N 2 0 290.382 2.564 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2ccccc21 ZINC000925834530 648337960 /nfs/dbraw/zinc/33/79/60/648337960.db2.gz YAJJJNGAMSVVQG-OQCKYNKVSA-N 2 0 270.298 2.919 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000925840917 648341099 /nfs/dbraw/zinc/34/10/99/648341099.db2.gz DRDXYXVVFHHHPS-SRCQZFHVSA-N 2 0 290.455 2.703 20 0 CFADRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccc1F ZINC000925849579 648344194 /nfs/dbraw/zinc/34/41/94/648344194.db2.gz PYYXGWWRRCTSEU-OAHLLOKOSA-N 2 0 293.430 2.552 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925862092 648347581 /nfs/dbraw/zinc/34/75/81/648347581.db2.gz XVQDNQFUDALYND-MJBXVCDLSA-N 2 0 268.470 2.912 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925862268 648347798 /nfs/dbraw/zinc/34/77/98/648347798.db2.gz ZKBPDVUDGJYDNY-VUROTCPHSA-N 3 0 279.472 2.643 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925861639 648348144 /nfs/dbraw/zinc/34/81/44/648348144.db2.gz RKSGMKKDFHFKKQ-GYXIZQIFSA-N 3 0 279.472 2.501 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925861640 648348176 /nfs/dbraw/zinc/34/81/76/648348176.db2.gz RKSGMKKDFHFKKQ-KZYLPZIUSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCc2cccnc21 ZINC000925871746 648351194 /nfs/dbraw/zinc/35/11/94/648351194.db2.gz GPZMDSGXFOSIKD-LXINESAQSA-N 2 0 271.408 2.565 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1OC ZINC000925880372 648353780 /nfs/dbraw/zinc/35/37/80/648353780.db2.gz QIQDFDJAQVHBFS-MCIONIFRSA-N 2 0 292.423 2.790 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c2nccn21 ZINC000925883121 648354644 /nfs/dbraw/zinc/35/46/44/648354644.db2.gz WAAZYCYFNHLQSF-KBEGMRNHSA-N 2 0 296.418 2.538 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887832 648356043 /nfs/dbraw/zinc/35/60/43/648356043.db2.gz NMVGJVSEBHZTTF-KURKYZTESA-N 2 0 290.451 2.840 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cncs1 ZINC000925887423 648356182 /nfs/dbraw/zinc/35/61/82/648356182.db2.gz CNFWXPZNAAOAAQ-XPKDYRNWSA-N 2 0 287.432 2.853 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925887699 648356494 /nfs/dbraw/zinc/35/64/94/648356494.db2.gz KJYFDKRLMIYTSA-PQEBFOHHSA-N 2 0 258.409 2.824 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925991755 648380293 /nfs/dbraw/zinc/38/02/93/648380293.db2.gz FHLGXFOGWDBAIO-IAGOWNOFSA-N 2 0 297.406 2.696 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000926115412 648408692 /nfs/dbraw/zinc/40/86/92/648408692.db2.gz UWCRQTPVJSQIMJ-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000926114226 648408704 /nfs/dbraw/zinc/40/87/04/648408704.db2.gz LLFSYSYSZVIOHR-HZPDHXFCSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000926142958 648415509 /nfs/dbraw/zinc/41/55/09/648415509.db2.gz MFTCHJSAOIKWCF-KZNAEPCWSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(C[NH+](C)C)c1 ZINC000926230027 648441865 /nfs/dbraw/zinc/44/18/65/648441865.db2.gz XTQMOGDSUDSKGY-YXJHDRRASA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926238355 648445557 /nfs/dbraw/zinc/44/55/57/648445557.db2.gz NUGCFLCYWVYACZ-HNNXBMFYSA-N 2 0 289.467 2.883 20 0 CFADRP C([NH2+][C@@H]1CCOC12CCCCC2)C1CC[NH+](C2CC2)CC1 ZINC000926308218 648459585 /nfs/dbraw/zinc/45/95/85/648459585.db2.gz NYLCWVGSNHQLFI-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@@H](O)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926314584 648460631 /nfs/dbraw/zinc/46/06/31/648460631.db2.gz LRZVWDSGUZIHGT-ZIAGYGMSSA-N 2 0 264.413 2.560 20 0 CFADRP C1CC1[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCOC1 ZINC000926335662 648465644 /nfs/dbraw/zinc/46/56/44/648465644.db2.gz BGUXJHAGHKEEOE-FCCDEINASA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926335640 648465751 /nfs/dbraw/zinc/46/57/51/648465751.db2.gz BAQIMLXUIOAQSX-SJJHQCBESA-N 2 0 280.456 2.654 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337484 648466249 /nfs/dbraw/zinc/46/62/49/648466249.db2.gz PRGZUJRULZQBOZ-WHHARQNVSA-N 2 0 260.425 2.948 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CSC2(C)C)CC1 ZINC000926375100 648474655 /nfs/dbraw/zinc/47/46/55/648474655.db2.gz ISBBBBXKENKLMK-AWEZNQCLSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000926409401 648479335 /nfs/dbraw/zinc/47/93/35/648479335.db2.gz XBZOPJMHRMYQPK-HIFRSBDPSA-N 2 0 270.486 2.838 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)(C)O ZINC000926489227 648506398 /nfs/dbraw/zinc/50/63/98/648506398.db2.gz FLPBUAOGSJKITD-HNNXBMFYSA-N 2 0 270.461 2.636 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926489963 648507645 /nfs/dbraw/zinc/50/76/45/648507645.db2.gz SAVZHUMMPSVCKQ-SUMWQHHRSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000926514782 648515467 /nfs/dbraw/zinc/51/54/67/648515467.db2.gz SXNRIGCDTHUJQZ-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926515390 648515738 /nfs/dbraw/zinc/51/57/38/648515738.db2.gz WWXORPBFZUKJRS-CZUORRHYSA-N 2 0 276.424 2.966 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926528227 648519697 /nfs/dbraw/zinc/51/96/97/648519697.db2.gz OTSKLCJGYCNVLO-IAOVAPTHSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1C1CCC1 ZINC000926532634 648521043 /nfs/dbraw/zinc/52/10/43/648521043.db2.gz BMOGYTVOQCJRKP-WYQXTGKHSA-N 2 0 288.439 2.884 20 0 CFADRP COc1ccnc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000926559126 648533955 /nfs/dbraw/zinc/53/39/55/648533955.db2.gz MFQNXRBXWBTGLS-ZDUSSCGKSA-N 2 0 277.412 2.615 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccns1 ZINC000926559838 648534109 /nfs/dbraw/zinc/53/41/09/648534109.db2.gz PERLDUSGPFHOSX-NSHDSACASA-N 2 0 253.415 2.668 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)ccc12 ZINC000926568225 648536542 /nfs/dbraw/zinc/53/65/42/648536542.db2.gz RKLJRBYWICIPDJ-WBVHZDCISA-N 2 0 285.391 2.629 20 0 CFADRP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926572280 648537817 /nfs/dbraw/zinc/53/78/17/648537817.db2.gz FPBXUQMBICKMAO-XYPHTWIQSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000926571777 648538369 /nfs/dbraw/zinc/53/83/69/648538369.db2.gz BYZMCKQNKXHJTP-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926605104 648550230 /nfs/dbraw/zinc/55/02/30/648550230.db2.gz AZXUMFINIFWQPP-PRLABOORSA-N 2 0 270.461 2.779 20 0 CFADRP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926634862 648557153 /nfs/dbraw/zinc/55/71/53/648557153.db2.gz NEQMVHGVWDWHLQ-RDJZCZTQSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926677008 648571264 /nfs/dbraw/zinc/57/12/64/648571264.db2.gz NFCWOJFRDUAGFW-HWWDLCQESA-N 2 0 294.483 2.902 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926691361 648577461 /nfs/dbraw/zinc/57/74/61/648577461.db2.gz AKFAQQYWJVILTP-KBRIMQKVSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926692684 648578187 /nfs/dbraw/zinc/57/81/87/648578187.db2.gz JJPVFVWNXJRYQC-KBPBESRZSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926710086 648585465 /nfs/dbraw/zinc/58/54/65/648585465.db2.gz ASQOPHNYMDYQFT-YOEHRIQHSA-N 2 0 290.451 2.807 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1(Cl)CC1 ZINC000926738506 648596964 /nfs/dbraw/zinc/59/69/64/648596964.db2.gz MAFNECYHXDUQTL-OCCSQVGLSA-N 2 0 270.848 2.858 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000926792064 648617723 /nfs/dbraw/zinc/61/77/23/648617723.db2.gz XAZIETMYUGTYBZ-AWEZNQCLSA-N 2 0 291.439 2.948 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)n1 ZINC000926796454 648619708 /nfs/dbraw/zinc/61/97/08/648619708.db2.gz KJNWBCYRABCWOT-XEBKBJJBSA-N 2 0 293.459 2.520 20 0 CFADRP C([NH2+][C@H]1CCCN2CCCC[C@@H]12)[C@H]1CCC2(CCC2)O1 ZINC000926859541 648636646 /nfs/dbraw/zinc/63/66/46/648636646.db2.gz HVMNVNMPGWHMNX-PMPSAXMXSA-N 2 0 278.440 2.695 20 0 CFADRP Cc1nonc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926883603 648644406 /nfs/dbraw/zinc/64/44/06/648644406.db2.gz CBYBUCWIHOCACY-XEBKBJJBSA-N 2 0 292.427 2.826 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926895786 648649440 /nfs/dbraw/zinc/64/94/40/648649440.db2.gz XLZHLBHLZKHOAT-AWEZNQCLSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)C1CC[NH+](C)CC1 ZINC000926923962 648659922 /nfs/dbraw/zinc/65/99/22/648659922.db2.gz UJCSILLLNKWXGD-ZIAGYGMSSA-N 2 0 288.435 2.830 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCOC1 ZINC000927040252 648690257 /nfs/dbraw/zinc/69/02/57/648690257.db2.gz ZQDBYFNEJGZHPX-SOEBMCCKSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H]2CCO[C@@H]21 ZINC000927040270 648690364 /nfs/dbraw/zinc/69/03/64/648690364.db2.gz ZVUFXXUWIQCRSG-SYGRHNPNSA-N 2 0 292.467 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)[C@H]2CCC[C@H]21 ZINC000927131599 648723272 /nfs/dbraw/zinc/72/32/72/648723272.db2.gz XPGUMWWRXZFRRY-VVLHAWIVSA-N 2 0 292.467 2.941 20 0 CFADRP CCc1onc(C)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000927134691 648723931 /nfs/dbraw/zinc/72/39/31/648723931.db2.gz MBVHCUPWKQZGTI-UHFFFAOYSA-N 2 0 265.401 2.508 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C/C(C)=C\C(=O)OC)CC1 ZINC000929298758 649027185 /nfs/dbraw/zinc/02/71/85/649027185.db2.gz YOTWGWDEPBKTHU-QINSGFPZSA-N 2 0 296.455 2.550 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCc2cccnc2)CC1 ZINC000929328616 649031969 /nfs/dbraw/zinc/03/19/69/649031969.db2.gz YNHWOSGOQFPWKB-UHFFFAOYSA-N 2 0 275.440 2.678 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CCC[NH+]2C)C1 ZINC000929643702 649085152 /nfs/dbraw/zinc/08/51/52/649085152.db2.gz IZPOXPIVVMPBKW-OKZBNKHCSA-N 2 0 293.499 2.667 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCC(C)(F)F)C1 ZINC000929772382 649117097 /nfs/dbraw/zinc/11/70/97/649117097.db2.gz YOICLRISKVTNCT-AWEZNQCLSA-N 2 0 292.414 2.855 20 0 CFADRP CCC[NH+]1CCC(N(C)C[C@H](O)c2cccc(C)c2)CC1 ZINC000929778534 649119322 /nfs/dbraw/zinc/11/93/22/649119322.db2.gz SJZSGYIFRVJMSE-SFHVURJKSA-N 2 0 290.451 2.835 20 0 CFADRP CCc1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000930146401 649193287 /nfs/dbraw/zinc/19/32/87/649193287.db2.gz RZKKAWXDSOGMIM-UHFFFAOYSA-N 2 0 279.428 2.791 20 0 CFADRP C[N@H+](CCCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460792 649253371 /nfs/dbraw/zinc/25/33/71/649253371.db2.gz QGAMXKTWWJQWSJ-SJPCQFCGSA-N 2 0 273.424 2.571 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3CF)C2)C1 ZINC000930555765 649273105 /nfs/dbraw/zinc/27/31/05/649273105.db2.gz PJKKDCGVDYFXAQ-INIZCTEOSA-N 2 0 262.372 2.684 20 0 CFADRP CCCC[N@H+](CCC(=O)NC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034039 649367906 /nfs/dbraw/zinc/36/79/06/649367906.db2.gz WTPBHJFEHWDISR-UHFFFAOYSA-N 2 0 297.487 2.534 20 0 CFADRP CN(C)[C@@H]1[C@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]21 ZINC000931278092 649400931 /nfs/dbraw/zinc/40/09/31/649400931.db2.gz XILKCQMZSMCPQP-QMGUWOGPSA-N 2 0 256.393 2.582 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000931352550 649412492 /nfs/dbraw/zinc/41/24/92/649412492.db2.gz PAIDOZBJFCEKMP-GFCCVEGCSA-N 2 0 260.372 2.838 20 0 CFADRP CCc1cccc(OCC[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931429350 649424828 /nfs/dbraw/zinc/42/48/28/649424828.db2.gz FPFQYEFYSPUNBY-DLBZAZTESA-N 2 0 288.435 2.511 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCC3CCCC3)C[C@@H]2C1 ZINC000931436059 649426320 /nfs/dbraw/zinc/42/63/20/649426320.db2.gz PZOHOIPVPMAPTR-CVEARBPZSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2C1 ZINC000931436218 649426425 /nfs/dbraw/zinc/42/64/25/649426425.db2.gz KXDMXOKSQMSUNO-MSOLQXFVSA-N 2 0 272.436 2.893 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931437888 649427347 /nfs/dbraw/zinc/42/73/47/649427347.db2.gz CZNBEQFIKYWPME-DLBZAZTESA-N 2 0 258.409 2.633 20 0 CFADRP Cc1cccc(C)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931438400 649428005 /nfs/dbraw/zinc/42/80/05/649428005.db2.gz HBLADOREXBJVSY-CVEARBPZSA-N 2 0 258.409 2.687 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000931546609 649451040 /nfs/dbraw/zinc/45/10/40/649451040.db2.gz NDAMGAMPDXERJQ-WBVHZDCISA-N 2 0 297.402 2.868 20 0 CFADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCSc1ccccc1 ZINC000931726981 649480368 /nfs/dbraw/zinc/48/03/68/649480368.db2.gz ORORDSDUPRYHMT-LSDHHAIUSA-N 2 0 276.449 2.947 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@]2(C)C1 ZINC000933732754 649717768 /nfs/dbraw/zinc/71/77/68/649717768.db2.gz MRHVOQIDUAODHO-CVEARBPZSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)CC(C)(C)C ZINC000933734735 649718563 /nfs/dbraw/zinc/71/85/63/649718563.db2.gz RGJHFQROEKLOGD-OFQRWUPVSA-N 2 0 252.446 2.942 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCc4ccccc4C3)C[C@]2(C)C1 ZINC000933737212 649718765 /nfs/dbraw/zinc/71/87/65/649718765.db2.gz MRNWFYIPIVOLNG-LZQZEXGQSA-N 2 0 284.447 2.675 20 0 CFADRP c1cc([C@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)ccn1 ZINC000934695436 649816019 /nfs/dbraw/zinc/81/60/19/649816019.db2.gz CCYJPOAGFAOTSP-QGZVFWFLSA-N 2 0 273.424 2.998 20 0 CFADRP Nc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)ccc1F ZINC001243454958 782206670 /nfs/dbraw/zinc/20/66/70/782206670.db2.gz DQPQHQJYSLDVCU-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP Nc1ncccc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001243478019 782226553 /nfs/dbraw/zinc/22/65/53/782226553.db2.gz WVGOEXGAZRMLQR-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C12CCC2 ZINC000405266908 782284492 /nfs/dbraw/zinc/28/44/92/782284492.db2.gz RSFYSDLJKZTZFH-NXEZZACHSA-N 2 0 256.802 2.761 20 0 CFADRP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1c[nH+]cn1C ZINC001277765427 777804160 /nfs/dbraw/zinc/80/41/60/777804160.db2.gz IIFPLJSLMIHBGY-OAGGEKHMSA-N 2 0 290.455 2.899 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)OCO2)CC1(C)CC[NH2+]CC1 ZINC001236662604 778906349 /nfs/dbraw/zinc/90/63/49/778906349.db2.gz LBSNMJJRQBDGEO-UHFFFAOYSA-N 2 0 290.407 2.627 20 0 CFADRP CC[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001235780540 778558303 /nfs/dbraw/zinc/55/83/03/778558303.db2.gz WSSAASNGYHOUER-KRWDZBQOSA-N 2 0 299.462 2.872 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000692958397 769908111 /nfs/dbraw/zinc/90/81/11/769908111.db2.gz HLQVUOXXMDVIGY-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP COC1CC[NH+](C2CC[NH+](CCCC(C)C)CC2)CC1 ZINC001208737277 769933602 /nfs/dbraw/zinc/93/36/02/769933602.db2.gz LHBWRERVCGLXDS-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH2+]Cc1cn(-c2cc(N)cc[nH+]2)c2ccc(C)cc12 ZINC001167121642 770053916 /nfs/dbraw/zinc/05/39/16/770053916.db2.gz RSAGSVVVDALLSH-UHFFFAOYSA-N 2 0 266.348 2.636 20 0 CFADRP Cc1cc(C)[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001167204978 770140438 /nfs/dbraw/zinc/14/04/38/770140438.db2.gz AYOQPUJWIDUDNJ-MJGOQNOKSA-N 2 0 293.414 2.676 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@@H]1CC[NH3+] ZINC000721469748 770532418 /nfs/dbraw/zinc/53/24/18/770532418.db2.gz XJXBBITXGFRAIK-XQHKEYJVSA-N 2 0 294.361 2.546 20 0 CFADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1F ZINC001204561411 770576789 /nfs/dbraw/zinc/57/67/89/770576789.db2.gz KHXOXDVIDLRDBH-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000723638637 770632328 /nfs/dbraw/zinc/63/23/28/770632328.db2.gz XWTODESKCWNESG-LJIZCISZSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723689936 770649356 /nfs/dbraw/zinc/64/93/56/770649356.db2.gz KDOWUOFXTQNIBC-SWLSCSKDSA-N 2 0 250.361 2.948 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723690979 770650636 /nfs/dbraw/zinc/65/06/36/770650636.db2.gz CVCYIQLGWVDZET-WDEREUQCSA-N 2 0 254.324 2.697 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)[C@@H]1CCC[NH3+] ZINC000693478495 770702770 /nfs/dbraw/zinc/70/27/70/770702770.db2.gz VVUDUFBEXOKRAG-DJIMGWMZSA-N 2 0 282.472 2.767 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901112 770709640 /nfs/dbraw/zinc/70/96/40/770709640.db2.gz NMSDGXKLIXTVLL-JHJVBQTASA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1CC[NH3+] ZINC000723906085 770710998 /nfs/dbraw/zinc/71/09/98/770710998.db2.gz PWZFBWAAPGMHRV-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCCOC1 ZINC000723958151 770721806 /nfs/dbraw/zinc/72/18/06/770721806.db2.gz ZNWGFGGHQXJKKR-ISWURRPUSA-N 2 0 274.408 2.926 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723978369 770731961 /nfs/dbraw/zinc/73/19/61/770731961.db2.gz PIKWNXGXCHQGNH-VXLLPVPCSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001207286385 770906403 /nfs/dbraw/zinc/90/64/03/770906403.db2.gz HUOFUQZYDYRGKZ-UHFFFAOYSA-N 2 0 258.409 2.993 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000690740713 770938872 /nfs/dbraw/zinc/93/88/72/770938872.db2.gz ODQSEORZYXFJOF-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1Br ZINC000690758392 773224349 /nfs/dbraw/zinc/22/43/49/773224349.db2.gz XPBNZKVMFQILGZ-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721547783 775151312 /nfs/dbraw/zinc/15/13/12/775151312.db2.gz BQKYWWBKLSWZKD-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCCCC1 ZINC000405253260 775199564 /nfs/dbraw/zinc/19/95/64/775199564.db2.gz JEWLQBNGFDVZCK-QWHCGFSZSA-N 2 0 268.470 2.912 20 0 CFADRP C[N@@H+]1CCCC[C@H]1COC1CCN(c2cc[nH+]cc2)CC1 ZINC001224704461 775254092 /nfs/dbraw/zinc/25/40/92/775254092.db2.gz ZDDOFFPHAQOZOG-INIZCTEOSA-N 2 0 289.423 2.551 20 0 CFADRP CSCc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000725113815 775274559 /nfs/dbraw/zinc/27/45/59/775274559.db2.gz ISMSWDXQKKCNKC-CYBMUJFWSA-N 2 0 266.454 2.837 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000725115512 775276795 /nfs/dbraw/zinc/27/67/95/775276795.db2.gz UIKZDENUPOYZOW-ZDUSSCGKSA-N 2 0 266.454 2.979 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721585327 775280369 /nfs/dbraw/zinc/28/03/69/775280369.db2.gz GXEOISVHONRWLW-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000694012498 775338308 /nfs/dbraw/zinc/33/83/08/775338308.db2.gz SPZZZAWMGVZWKU-HNNXBMFYSA-N 2 0 275.440 2.723 20 0 CFADRP CC[N@H+](CCc1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC001207401715 775417152 /nfs/dbraw/zinc/41/71/52/775417152.db2.gz RYXHUHATSGSVSP-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721607119 775427565 /nfs/dbraw/zinc/42/75/65/775427565.db2.gz UCAANTXQLSFZLO-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)cc[nH+]1 ZINC001277065114 775563015 /nfs/dbraw/zinc/56/30/15/775563015.db2.gz UOQRWODCAWKBNG-IRXDYDNUSA-N 2 0 271.408 2.986 20 0 CFADRP C[N@H+](Cc1csc(C2CC2)n1)C1CCC([NH3+])CC1 ZINC000694853702 775597594 /nfs/dbraw/zinc/59/75/94/775597594.db2.gz QNJNOZKUCNGMKW-UHFFFAOYSA-N 2 0 265.426 2.722 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000708890954 775652357 /nfs/dbraw/zinc/65/23/57/775652357.db2.gz SNOOMENEVRPHSR-WCQYABFASA-N 2 0 252.789 2.675 20 0 CFADRP CC(C)OC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000695098278 775661181 /nfs/dbraw/zinc/66/11/81/775661181.db2.gz FAPDLNOCRVCGJX-MQVJKMGUSA-N 2 0 280.456 2.797 20 0 CFADRP CCCC(C[NH3+])(CCC)NC(=O)CC1(C[NH3+])CCCCC1 ZINC001221371985 775904413 /nfs/dbraw/zinc/90/44/13/775904413.db2.gz JLKBHZFDEAOHEU-UHFFFAOYSA-N 2 0 297.487 2.700 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001207479793 775931612 /nfs/dbraw/zinc/93/16/12/775931612.db2.gz OCJCUYSAQWSTFI-ZDUSSCGKSA-N 2 0 278.362 2.788 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001207480118 775933148 /nfs/dbraw/zinc/93/31/48/775933148.db2.gz UNGWOSKKJHDIMI-KRWDZBQOSA-N 2 0 273.424 2.950 20 0 CFADRP COCC[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207482972 775979333 /nfs/dbraw/zinc/97/93/33/775979333.db2.gz AZNNCSCOLLFLIZ-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CCCCCC[N@@H+]1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215465 776033624 /nfs/dbraw/zinc/03/36/24/776033624.db2.gz FDRQTOBCSFDMFG-HNNXBMFYSA-N 2 0 296.455 2.574 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(C[NH+](C)C)cn1 ZINC001167751029 776078622 /nfs/dbraw/zinc/07/86/22/776078622.db2.gz DOIRJMBOSGXDGN-HNNXBMFYSA-N 2 0 290.455 2.820 20 0 CFADRP CCc1ccccc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222542518 776169910 /nfs/dbraw/zinc/16/99/10/776169910.db2.gz GOBYEKYOGSVZFJ-UHFFFAOYSA-N 2 0 250.361 2.512 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000125568406 776355388 /nfs/dbraw/zinc/35/53/88/776355388.db2.gz GIKOPZGAINDQSX-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP Cc1cccc(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001207538894 776366091 /nfs/dbraw/zinc/36/60/91/776366091.db2.gz VVHUOBFQAOFCLN-UHFFFAOYSA-N 2 0 272.436 2.955 20 0 CFADRP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354941 776470156 /nfs/dbraw/zinc/47/01/56/776470156.db2.gz FACVQOGYDPAFAQ-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP CCO[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167825237 776544935 /nfs/dbraw/zinc/54/49/35/776544935.db2.gz IFZOOVAEDAGHQI-JKSUJKDBSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2ncccc2C1 ZINC001167826016 776546667 /nfs/dbraw/zinc/54/66/67/776546667.db2.gz MAPVBCCMNOEEFQ-HNNXBMFYSA-N 2 0 275.440 2.950 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CC(Oc2cccnc2)C1 ZINC001167828070 776554665 /nfs/dbraw/zinc/55/46/65/776554665.db2.gz ZNVHNULKODBGRJ-OAHLLOKOSA-N 2 0 291.439 2.655 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001167834876 776579205 /nfs/dbraw/zinc/57/92/05/776579205.db2.gz NLWNNHBQKSWSDG-SOUVJXGZSA-N 2 0 256.434 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001167835248 776583435 /nfs/dbraw/zinc/58/34/35/776583435.db2.gz PTNOCCFAYYNDNB-IRXDYDNUSA-N 2 0 283.504 2.911 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001167841078 776601092 /nfs/dbraw/zinc/60/10/92/776601092.db2.gz JZZYFCFNEFDYOK-MRXNPFEDSA-N 3 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001167841844 776607586 /nfs/dbraw/zinc/60/75/86/776607586.db2.gz SHRLDIYUDGLYIT-ZACQAIPSSA-N 2 0 281.488 2.665 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692910544 776649516 /nfs/dbraw/zinc/64/95/16/776649516.db2.gz NYYBXNKOQLIWGQ-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228936717 776663927 /nfs/dbraw/zinc/66/39/27/776663927.db2.gz MIPBCOODOIBQMX-CQSZACIVSA-N 2 0 276.424 2.784 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3c(c1)CC[NH+](C)C3)C2 ZINC001228937047 776663989 /nfs/dbraw/zinc/66/39/89/776663989.db2.gz UNSHZNJNRODDAY-ALXJQNPVSA-N 2 0 286.419 2.679 20 0 CFADRP CC(C)(C)c1ccc(NC(=[NH2+])NCCCC[NH3+])cc1 ZINC001167878116 776712539 /nfs/dbraw/zinc/71/25/39/776712539.db2.gz GGVXRHCWSQLVGK-UHFFFAOYSA-N 2 0 262.401 2.659 20 0 CFADRP COCc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC001139826853 776779651 /nfs/dbraw/zinc/77/96/51/776779651.db2.gz DHDGSBDNIZDOSS-UHFFFAOYSA-N 2 0 282.453 2.668 20 0 CFADRP COc1cc(C)c(NC(=[NH2+])SCC[NH3+])cc1Cl ZINC001167914652 776839461 /nfs/dbraw/zinc/83/94/61/776839461.db2.gz NUODKOWBOJPKLB-UHFFFAOYSA-N 2 0 273.789 2.696 20 0 CFADRP C[C@H](C[NH+](C)C)Oc1cccc([C@@H](C)[NH+](C)C)c1 ZINC001229628432 776860384 /nfs/dbraw/zinc/86/03/84/776860384.db2.gz UUDFPRJACURCLC-CHWSQXEVSA-N 2 0 250.386 2.638 20 0 CFADRP COc1ccc(C2([NH3+])CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167919327 776919193 /nfs/dbraw/zinc/91/91/93/776919193.db2.gz YJMLJJLQNZDOGU-FOLVSLTJSA-N 2 0 286.419 2.744 20 0 CFADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167950970 777186426 /nfs/dbraw/zinc/18/64/26/777186426.db2.gz FOIOVBUXBQYPKN-PIIMJCKOSA-N 2 0 295.515 2.771 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231520339 777249270 /nfs/dbraw/zinc/24/92/70/777249270.db2.gz VLJWUVNJBKNMMV-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCSCC1)C2 ZINC001167963657 777386238 /nfs/dbraw/zinc/38/62/38/777386238.db2.gz AOXVUSNVKVVPKB-MQVJKMGUSA-N 2 0 280.481 2.877 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712835851 777390528 /nfs/dbraw/zinc/39/05/28/777390528.db2.gz DNLOAJMWZJZGEB-HZPDHXFCSA-N 2 0 298.471 2.772 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232011507 777411255 /nfs/dbraw/zinc/41/12/55/777411255.db2.gz DXFGYJAZLYNBCP-LRDDRELGSA-N 2 0 271.364 2.564 20 0 CFADRP C[N@H+](CCc1cccnc1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014229 777412198 /nfs/dbraw/zinc/41/21/98/777412198.db2.gz LPMIWHZXDKWCJF-UHFFFAOYSA-N 2 0 266.348 2.632 20 0 CFADRP Cc1nnc([C@@H]2CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)o1 ZINC001232016748 777414903 /nfs/dbraw/zinc/41/49/03/777414903.db2.gz FGKPIUJNIXRTAD-GFCCVEGCSA-N 2 0 297.362 2.634 20 0 CFADRP C[C@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCOC1 ZINC001167981985 777449648 /nfs/dbraw/zinc/44/96/48/777449648.db2.gz RTNWRTJJFPTQJV-HMQMGEFJSA-N 2 0 278.440 2.551 20 0 CFADRP COCC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C(C)C ZINC001232147199 777451321 /nfs/dbraw/zinc/45/13/21/777451321.db2.gz LTIHXSFKDIIOSM-UHFFFAOYSA-N 2 0 282.403 2.744 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC3(CCO3)CC2)c1 ZINC001232146581 777451489 /nfs/dbraw/zinc/45/14/89/777451489.db2.gz UTRPFFYYHJWHRJ-UHFFFAOYSA-N 2 0 292.398 2.642 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@]3(CCOC3)C1)C2 ZINC001167985060 777468527 /nfs/dbraw/zinc/46/85/27/777468527.db2.gz UDBJIWDZSOFBKU-UJJTZGENSA-N 2 0 290.451 2.504 20 0 CFADRP NC(=[NH2+])N(c1ccc(F)cc1)c1cccc2c1CC[C@H]2[NH3+] ZINC001167994308 777528492 /nfs/dbraw/zinc/52/84/92/777528492.db2.gz GZRPSRXUHQLMFW-CQSZACIVSA-N 2 0 284.338 2.803 20 0 CFADRP COc1cc(Cl)ccc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001232498223 777584748 /nfs/dbraw/zinc/58/47/48/777584748.db2.gz YLJNACMVLQJHGE-OCCSQVGLSA-N 2 0 294.826 2.732 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000696594331 777588802 /nfs/dbraw/zinc/58/88/02/777588802.db2.gz APJFDBARNCTNTR-IJLUTSLNSA-N 2 0 260.372 2.646 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cncc4cnccc43)C2)CC1 ZINC001232652760 777631002 /nfs/dbraw/zinc/63/10/02/777631002.db2.gz LTYPELCVPFWXAX-UHFFFAOYSA-N 2 0 296.418 2.548 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1NC ZINC001232673371 777637063 /nfs/dbraw/zinc/63/70/63/777637063.db2.gz HXOJHEVRMOBKJX-UHFFFAOYSA-N 2 0 263.429 2.892 20 0 CFADRP C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029595 777728083 /nfs/dbraw/zinc/72/80/83/777728083.db2.gz TYRQYUZUCSTFGO-DFGXFYAUSA-N 2 0 290.451 2.789 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCC(C)=C[C@H]2C)C1 ZINC001205001028 777729799 /nfs/dbraw/zinc/72/97/99/777729799.db2.gz NGTBVUWVIPPGIE-OWCLPIDISA-N 2 0 250.430 2.910 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C2CC(OC(C)(C)C)C2)C1 ZINC000341629658 777880859 /nfs/dbraw/zinc/88/08/59/777880859.db2.gz SVBFABGKPBMFAI-QQFBHYJXSA-N 2 0 282.472 2.996 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc3cccnc3s1)CC2 ZINC001233349491 777906798 /nfs/dbraw/zinc/90/67/98/777906798.db2.gz VJYCLQMTTXQQIT-UHFFFAOYSA-N 2 0 287.432 2.824 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001168068391 777918906 /nfs/dbraw/zinc/91/89/06/777918906.db2.gz YHCDHAJWZYEYSP-QAPCUYQASA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CCO1 ZINC001168083896 777980810 /nfs/dbraw/zinc/98/08/10/777980810.db2.gz NSHSEMXTIUGXQZ-HGTKMLMNSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC001168090661 778016800 /nfs/dbraw/zinc/01/68/00/778016800.db2.gz GGNSJHBDTJOWAK-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CCO1 ZINC001168101022 778043511 /nfs/dbraw/zinc/04/35/11/778043511.db2.gz KMIJGBFNQUHVBU-NVXWUHKLSA-N 2 0 288.435 2.590 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001233988039 778130980 /nfs/dbraw/zinc/13/09/80/778130980.db2.gz IGWWSKWWEJVKRL-UHFFFAOYSA-N 2 0 299.418 2.714 20 0 CFADRP CCCNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001168137139 778135755 /nfs/dbraw/zinc/13/57/55/778135755.db2.gz NRHRQPPCIJMTIL-UHFFFAOYSA-N 2 0 261.413 2.679 20 0 CFADRP CC[NH+](CC)Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234033307 778147514 /nfs/dbraw/zinc/14/75/14/778147514.db2.gz RPOOGXWLYQEVOT-UHFFFAOYSA-N 2 0 259.353 2.723 20 0 CFADRP CC[NH+]1CCC(Oc2cccc3c2CC[N@H+](C)C3)CC1 ZINC001234419709 778221341 /nfs/dbraw/zinc/22/13/41/778221341.db2.gz DMWXXJXXPOUWBJ-UHFFFAOYSA-N 2 0 274.408 2.538 20 0 CFADRP C[N@@H+]1CC[C@H](c2ccc(NC3(C)CC[NH2+]CC3)cc2)C1 ZINC001168188823 778232233 /nfs/dbraw/zinc/23/22/33/778232233.db2.gz CRAIUPFBYLBEQA-HNNXBMFYSA-N 2 0 273.424 2.660 20 0 CFADRP Cc1nc(C)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)[nH]1 ZINC001234627588 778270013 /nfs/dbraw/zinc/27/00/13/778270013.db2.gz QEHQZFBWNSOKIQ-UHFFFAOYSA-N 2 0 278.444 2.579 20 0 CFADRP CCOC(=O)CCCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277881534 778293816 /nfs/dbraw/zinc/29/38/16/778293816.db2.gz ZEGDWCRKSYOGSP-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP Cc1ccc(C(F)(F)F)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234978242 778344121 /nfs/dbraw/zinc/34/41/21/778344121.db2.gz HNUFXWONJODCFE-BETUJISGSA-N 2 0 284.325 2.665 20 0 CFADRP FC(F)(F)c1cccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC001234978782 778345058 /nfs/dbraw/zinc/34/50/58/778345058.db2.gz KIRQNNTYIBBJDZ-OKILXGFUSA-N 2 0 298.352 2.789 20 0 CFADRP Fc1cc(F)c(CCN2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC001234990659 778346208 /nfs/dbraw/zinc/34/62/08/778346208.db2.gz CGYFRZZGVXHFRT-INIZCTEOSA-N 2 0 298.352 2.722 20 0 CFADRP CCOc1cc(C)ccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234998515 778347968 /nfs/dbraw/zinc/34/79/68/778347968.db2.gz OIXQEMLVSDRWAX-GOSISDBHSA-N 2 0 288.435 2.969 20 0 CFADRP C(C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1)C1CCCCC1 ZINC001235005260 778351826 /nfs/dbraw/zinc/35/18/26/778351826.db2.gz DQSXFARKAWTDAD-KRWDZBQOSA-N 2 0 280.456 2.659 20 0 CFADRP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001235005232 778352391 /nfs/dbraw/zinc/35/23/91/778352391.db2.gz DONFKLPXDONGGK-RCCFBDPRSA-N 2 0 292.467 2.681 20 0 CFADRP CC[N@H+]([C@H]1Cc2ccc(OC)cc2C1)C1CCN(C)CC1 ZINC001168272909 778355331 /nfs/dbraw/zinc/35/53/31/778355331.db2.gz JOZMZGOBVAOQNG-KRWDZBQOSA-N 2 0 288.435 2.579 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC001235030886 778360373 /nfs/dbraw/zinc/36/03/73/778360373.db2.gz HXUCIFUDJAZOKC-INIZCTEOSA-N 2 0 278.827 2.958 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235037850 778361988 /nfs/dbraw/zinc/36/19/88/778361988.db2.gz QJEIVRIPXQHKSL-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP COc1cccc(C)c1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235133672 778395441 /nfs/dbraw/zinc/39/54/41/778395441.db2.gz UIVGDOSDTJCZCG-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP COc1cc(C)cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001235134063 778395520 /nfs/dbraw/zinc/39/55/20/778395520.db2.gz YBBYRNDJPVLCDW-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP Nc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153174 778398570 /nfs/dbraw/zinc/39/85/70/778398570.db2.gz FWWYSYPBLIJUDA-MRXNPFEDSA-N 2 0 291.414 2.762 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1C ZINC001235183631 778406040 /nfs/dbraw/zinc/40/60/40/778406040.db2.gz CWAXSZAKSKSNBM-CVEARBPZSA-N 2 0 288.435 2.662 20 0 CFADRP CC(C)[NH+]1CCC(C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168297534 778411693 /nfs/dbraw/zinc/41/16/93/778411693.db2.gz BGCOVXFXXZPKKV-UHFFFAOYSA-N 3 0 281.488 2.569 20 0 CFADRP Cc1ccc(C2([NH2+]C3CCC([NH+](C)C)CC3)COC2)cc1 ZINC001168298296 778411825 /nfs/dbraw/zinc/41/18/25/778411825.db2.gz LEZPYNOSNZKUIL-UHFFFAOYSA-N 2 0 288.435 2.683 20 0 CFADRP Cc1ccnc(CCC[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168298240 778413359 /nfs/dbraw/zinc/41/33/59/778413359.db2.gz HEYFZKOYGKABTN-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP COC(=O)CC1([NH2+]C2CCC([NH+](C)C)CC2)CCCCC1 ZINC001168303712 778417243 /nfs/dbraw/zinc/41/72/43/778417243.db2.gz ADXFPZQFSHEDMX-UHFFFAOYSA-N 2 0 296.455 2.715 20 0 CFADRP COCCc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168304001 778417621 /nfs/dbraw/zinc/41/76/21/778417621.db2.gz JAUGBGOCVRTXRA-UHFFFAOYSA-N 2 0 290.451 2.838 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001168304762 778418509 /nfs/dbraw/zinc/41/85/09/778418509.db2.gz CQPQAMJQHDIRIE-UHFFFAOYSA-N 3 0 293.499 2.713 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3ncccc32)CC1 ZINC001168304289 778418552 /nfs/dbraw/zinc/41/85/52/778418552.db2.gz SMYDYEKNZCLHHQ-ZUEPYMLJSA-N 2 0 259.397 2.531 20 0 CFADRP CCC[C@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235223952 778420705 /nfs/dbraw/zinc/42/07/05/778420705.db2.gz HUBGUCVMEKYBLM-SRVKXCTJSA-N 2 0 264.335 2.506 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1)c1ccccc1 ZINC001235225461 778422095 /nfs/dbraw/zinc/42/20/95/778422095.db2.gz UOGHRJXIUHTOSF-SNPRPXQTSA-N 2 0 298.352 2.874 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235229586 778422767 /nfs/dbraw/zinc/42/27/67/778422767.db2.gz REDJFGYCSJMJRV-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP Cc1c[nH]c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1C ZINC001235229152 778423136 /nfs/dbraw/zinc/42/31/36/778423136.db2.gz OMPIGJCRJLJOCG-MRXNPFEDSA-N 2 0 275.440 2.986 20 0 CFADRP CC1(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CCOCC1 ZINC001235233374 778423779 /nfs/dbraw/zinc/42/37/79/778423779.db2.gz PHNHXEREKDAIAG-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+][C@H](CN1CCC([C@H]2CCCC[NH2+]2)CC1)c1ccccc1 ZINC001235234252 778424289 /nfs/dbraw/zinc/42/42/89/778424289.db2.gz WXZIJHYJKVVPDX-QZTJIDSGSA-N 2 0 287.451 2.541 20 0 CFADRP Cc1nc(F)ccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236294 778425134 /nfs/dbraw/zinc/42/51/34/778425134.db2.gz DRTURJDSHGKZLN-INIZCTEOSA-N 2 0 291.414 2.883 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001168314117 778425262 /nfs/dbraw/zinc/42/52/62/778425262.db2.gz JZEPSVNDAWJUJG-WXLSXGNJSA-N 2 0 250.430 2.981 20 0 CFADRP C[NH+](C)C1CCC([NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC001168314513 778425512 /nfs/dbraw/zinc/42/55/12/778425512.db2.gz MCBKAYOIZFXTQY-WXLSXGNJSA-N 2 0 250.430 2.981 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001168315879 778426449 /nfs/dbraw/zinc/42/64/49/778426449.db2.gz PNBSRZMBMHLJQU-DQPZFDDXSA-N 2 0 273.424 2.921 20 0 CFADRP CCc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235237846 778426797 /nfs/dbraw/zinc/42/67/97/778426797.db2.gz NCIYJIXPFCNSCQ-SFHVURJKSA-N 2 0 287.451 2.998 20 0 CFADRP c1cn2c(cccc2C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235238748 778426906 /nfs/dbraw/zinc/42/69/06/778426906.db2.gz IBACAFRVQHPWHF-QGZVFWFLSA-N 2 0 298.434 2.688 20 0 CFADRP COc1ccc2c(c1)C[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168315549 778426989 /nfs/dbraw/zinc/42/69/89/778426989.db2.gz YJJPKYLDSQWMFX-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP CCCOc1ccccc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235241033 778428122 /nfs/dbraw/zinc/42/81/22/778428122.db2.gz PVFDIKNGEIJVDN-NVXWUHKLSA-N 2 0 274.408 2.789 20 0 CFADRP C[NH2+]Cc1ccc(NC2CCC([NH+](C)C)CC2)cc1 ZINC001168322996 778432277 /nfs/dbraw/zinc/43/22/77/778432277.db2.gz MBTQRAOCCURYKQ-UHFFFAOYSA-N 2 0 261.413 2.691 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCC3(CCOCC3)CC2)CC1 ZINC001168327968 778434485 /nfs/dbraw/zinc/43/44/85/778434485.db2.gz VOVNKYKWBZPOEH-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168327961 778434671 /nfs/dbraw/zinc/43/46/71/778434671.db2.gz VMLMSHDOLFNISB-HSBZDZAISA-N 2 0 284.444 2.521 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001168328130 778434752 /nfs/dbraw/zinc/43/47/52/778434752.db2.gz WQYSGWPXYGSNPL-GTPINHCMSA-N 2 0 280.456 2.608 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235267778 778440403 /nfs/dbraw/zinc/44/04/03/778440403.db2.gz IZOAFINBWDWJTP-AEFFLSMTSA-N 2 0 281.403 2.661 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2cccccc1-2 ZINC001235273371 778441250 /nfs/dbraw/zinc/44/12/50/778441250.db2.gz RUPOQUCQDPDKEJ-AEFFLSMTSA-N 2 0 266.388 2.975 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(Cc4ccccc4)cc3)C[C@@H]12 ZINC001235283113 778442915 /nfs/dbraw/zinc/44/29/15/778442915.db2.gz CUKBURVZFHHLPT-REPLKXPHSA-N 2 0 278.399 2.666 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]12 ZINC001235285390 778443763 /nfs/dbraw/zinc/44/37/63/778443763.db2.gz RCWXZENGMWNFNI-BCDXTJNWSA-N 2 0 282.362 2.882 20 0 CFADRP CC[N@@H+]1CC[C@H](O[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136033 778449759 /nfs/dbraw/zinc/44/97/59/778449759.db2.gz YLBQLFIYQBXIHO-DLBZAZTESA-N 2 0 276.424 2.790 20 0 CFADRP Clc1cccc2[nH]cc(C[N@@H+]3CC[C@H](C4C[NH2+]C4)C3)c21 ZINC001235339136 778459007 /nfs/dbraw/zinc/45/90/07/778459007.db2.gz DFHCFEYJLVDSIV-NSHDSACASA-N 2 0 289.810 2.863 20 0 CFADRP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235339142 778459383 /nfs/dbraw/zinc/45/93/83/778459383.db2.gz DJCVKBQGTYYELG-ZDUSSCGKSA-N 2 0 278.827 2.998 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340094 778460337 /nfs/dbraw/zinc/46/03/37/778460337.db2.gz HKZBBORMJHGDIV-CYBMUJFWSA-N 2 0 278.827 2.998 20 0 CFADRP CCCCOc1cccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235339164 778460530 /nfs/dbraw/zinc/46/05/30/778460530.db2.gz DQWDLOBJNZHEEO-MRXNPFEDSA-N 2 0 288.435 2.907 20 0 CFADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339721 778460707 /nfs/dbraw/zinc/46/07/07/778460707.db2.gz YROUMMUYWHWGHY-HUUCEWRRSA-N 2 0 250.430 2.910 20 0 CFADRP CCCC[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377810 778471063 /nfs/dbraw/zinc/47/10/63/778471063.db2.gz DMOPUMHYOIRPHM-SJORKVTESA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F)c1ccccc1 ZINC001235400367 778475598 /nfs/dbraw/zinc/47/55/98/778475598.db2.gz CLQPDCYHMPBHPA-OIISXLGYSA-N 2 0 276.399 2.814 20 0 CFADRP Nc1c(F)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235421488 778485266 /nfs/dbraw/zinc/48/52/66/778485266.db2.gz CJYXWCSXRFEAQE-KGLIPLIRSA-N 2 0 291.414 2.620 20 0 CFADRP Cc1cc(Br)c(F)cc1C[N@H+](C)CCC[NH3+] ZINC001235435165 778489736 /nfs/dbraw/zinc/48/97/36/778489736.db2.gz BRQSSPLIOUXUPV-UHFFFAOYSA-N 2 0 289.192 2.677 20 0 CFADRP c1cc(CN2CCCC[C@@H]2C[NH+]2CCCC2)cc2c1C[NH2+]C2 ZINC001235679935 778533617 /nfs/dbraw/zinc/53/36/17/778533617.db2.gz SJIGUZCQVOUGLY-LJQANCHMSA-N 2 0 299.462 2.740 20 0 CFADRP Nc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1F ZINC001235703128 778542213 /nfs/dbraw/zinc/54/22/13/778542213.db2.gz SASFYJYYZHNXPE-UHFFFAOYSA-N 2 0 291.414 2.620 20 0 CFADRP C[N@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)CC(C)(C)C ZINC001235712899 778544953 /nfs/dbraw/zinc/54/49/53/778544953.db2.gz RZVLLTKQHIJHON-UHFFFAOYSA-N 2 0 289.467 2.570 20 0 CFADRP CC(C)(CO)C[N@@H+]1CCC[C@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277967593 778556231 /nfs/dbraw/zinc/55/62/31/778556231.db2.gz CLLNMWVQJQWMNE-SFHVURJKSA-N 2 0 294.483 2.735 20 0 CFADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CCCC[NH3+])cc1 ZINC001235840426 778575858 /nfs/dbraw/zinc/57/58/58/778575858.db2.gz LQXWSSYPGBDZMF-INIZCTEOSA-N 2 0 262.397 2.961 20 0 CFADRP CCc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)ccc1Cl ZINC001235841375 778576290 /nfs/dbraw/zinc/57/62/90/778576290.db2.gz FBNMYXCCDRHOIG-CYBMUJFWSA-N 2 0 266.816 2.944 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929131 778612670 /nfs/dbraw/zinc/61/26/70/778612670.db2.gz IPDSDOHJUVVBSA-ROUUACIJSA-N 2 0 272.436 2.894 20 0 CFADRP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930446 778613775 /nfs/dbraw/zinc/61/37/75/778613775.db2.gz WWIBHMJEPMBHSN-IVSAIRAKSA-N 2 0 290.838 2.985 20 0 CFADRP CC(C)(C)Oc1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235935872 778616343 /nfs/dbraw/zinc/61/63/43/778616343.db2.gz FLDRZIMIWYTGLD-HZPDHXFCSA-N 2 0 288.435 2.905 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)c1Cl ZINC001235935008 778616701 /nfs/dbraw/zinc/61/67/01/778616701.db2.gz CFALTOPGCCLPTJ-HUUCEWRRSA-N 2 0 278.827 2.998 20 0 CFADRP CCSc1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235938083 778617555 /nfs/dbraw/zinc/61/75/55/778617555.db2.gz WHKASCORYXFKHU-UKRRQHHQSA-N 2 0 276.449 2.840 20 0 CFADRP Cc1c(Cl)ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1C ZINC001235942816 778619581 /nfs/dbraw/zinc/61/95/81/778619581.db2.gz YEABFIDBASKETC-HUUCEWRRSA-N 2 0 278.827 2.998 20 0 CFADRP CC[C@@H]1CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235949384 778623691 /nfs/dbraw/zinc/62/36/91/778623691.db2.gz HVDNEKZWOHMZJH-CQSZACIVSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235949643 778623981 /nfs/dbraw/zinc/62/39/81/778623981.db2.gz PLWOSJNFJOHNAY-CQSZACIVSA-N 2 0 258.409 2.954 20 0 CFADRP C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)C[C@@H]1CC1(C)C ZINC001235958012 778626948 /nfs/dbraw/zinc/62/69/48/778626948.db2.gz BIAZAULSQFOVKT-INIZCTEOSA-N 2 0 287.451 2.574 20 0 CFADRP CCOc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc1C ZINC001235958361 778627093 /nfs/dbraw/zinc/62/70/93/778627093.db2.gz HHUFXKDNBBZBOX-SCAQPMJSSA-N 2 0 274.408 2.563 20 0 CFADRP C[N@H+](C[C@H]1CC1(C)C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235958639 778628019 /nfs/dbraw/zinc/62/80/19/778628019.db2.gz OJHPNTLODNPKDM-CQSZACIVSA-N 2 0 250.430 2.744 20 0 CFADRP CCOc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959086 778628155 /nfs/dbraw/zinc/62/81/55/778628155.db2.gz SBBINSOGISEHQM-XOIINTDNSA-N 2 0 274.408 2.563 20 0 CFADRP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1C ZINC001235960165 778629846 /nfs/dbraw/zinc/62/98/46/778629846.db2.gz RCLLOSVKAOWEMH-SCAQPMJSSA-N 2 0 258.409 2.781 20 0 CFADRP CCN(CC[NH+]1CCCCC1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235962233 778631223 /nfs/dbraw/zinc/63/12/23/778631223.db2.gz JAKQSPJTUACNFW-UHFFFAOYSA-N 2 0 287.451 2.598 20 0 CFADRP C[C@H]([NH3+])c1cccc(-c2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC001235974272 778635074 /nfs/dbraw/zinc/63/50/74/778635074.db2.gz DQPIJJLSHLAFEA-AWEZNQCLSA-N 2 0 296.418 2.520 20 0 CFADRP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCCCc1ccccc1)C2 ZINC001235978141 778637177 /nfs/dbraw/zinc/63/71/77/778637177.db2.gz IKBVXURMUDBKTO-SJORKVTESA-N 2 0 258.409 2.823 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001236085541 778685645 /nfs/dbraw/zinc/68/56/45/778685645.db2.gz QUTICZSLZVCVJM-UHFFFAOYSA-N 2 0 282.378 2.958 20 0 CFADRP C[NH2+]CCCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001236088763 778686800 /nfs/dbraw/zinc/68/68/00/778686800.db2.gz JAAOMYNKXIDQRF-UHFFFAOYSA-N 2 0 297.446 2.567 20 0 CFADRP Fc1ccc2c(c1)CC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001236092786 778687590 /nfs/dbraw/zinc/68/75/90/778687590.db2.gz CYRAFBPPAPPACB-UHFFFAOYSA-N 2 0 288.410 2.964 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc(C[NH+]3CCC3)cc2)cn1 ZINC001236152836 778719651 /nfs/dbraw/zinc/71/96/51/778719651.db2.gz IZKCDPDBRJJKIO-UHFFFAOYSA-N 2 0 298.434 2.708 20 0 CFADRP CCC[N@H+](Cc1ccc(NC)cc1)C1CC[NH2+]CC1 ZINC001236184782 778728487 /nfs/dbraw/zinc/72/84/87/778728487.db2.gz OZYBAKLBDXZZBX-UHFFFAOYSA-N 2 0 261.413 2.692 20 0 CFADRP CCC[N@H+](Cc1cccc2c1CCN2)C1CC[NH2+]CC1 ZINC001236184288 778728945 /nfs/dbraw/zinc/72/89/45/778728945.db2.gz GXPHUHAQVOENRO-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236190260 778731630 /nfs/dbraw/zinc/73/16/30/778731630.db2.gz REUWYOMKXVIKCW-YQYZPQCESA-N 2 0 281.403 2.770 20 0 CFADRP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)CCC[NH2+]C)CC1 ZINC001236201179 778732480 /nfs/dbraw/zinc/73/24/80/778732480.db2.gz LBSBSWOTJOOFMY-WKILWMFISA-N 2 0 298.471 2.677 20 0 CFADRP CN(CCC[NH2+]C1CCCCC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215935 778740473 /nfs/dbraw/zinc/74/04/73/778740473.db2.gz ZABGJWUEJYLEHZ-HOTGVXAUSA-N 2 0 267.461 2.501 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](OCC)C2)C1 ZINC000721241267 778741470 /nfs/dbraw/zinc/74/14/70/778741470.db2.gz VURYDJMOCGHVGX-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1ccc(S[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236222872 778744976 /nfs/dbraw/zinc/74/49/76/778744976.db2.gz NATFCQSYYWTWKR-BBRMVZONSA-N 2 0 294.439 2.992 20 0 CFADRP FC1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC001236308559 778769758 /nfs/dbraw/zinc/76/97/58/778769758.db2.gz SZUBEOBMXXBECU-ZIAGYGMSSA-N 2 0 254.393 2.590 20 0 CFADRP CC(C)[N@H+](CC1CC1)C1CCN(CC2CC2)CC1 ZINC001168390290 778771359 /nfs/dbraw/zinc/77/13/59/778771359.db2.gz GNANNVGKYWPLGQ-UHFFFAOYSA-N 2 0 250.430 2.981 20 0 CFADRP Fc1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314025 778772853 /nfs/dbraw/zinc/77/28/53/778772853.db2.gz GQYCURUDVXLCOJ-IYBDPMFKSA-N 2 0 276.399 2.690 20 0 CFADRP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236313970 778772949 /nfs/dbraw/zinc/77/29/49/778772949.db2.gz CFQBJDATZBGCGZ-IYBDPMFKSA-N 2 0 258.409 2.735 20 0 CFADRP c1ccc(N2CCCC2)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314696 778774163 /nfs/dbraw/zinc/77/41/63/778774163.db2.gz FJXQYWTZOUTJAV-CALCHBBNSA-N 2 0 299.462 2.718 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1 ZINC001236316165 778775641 /nfs/dbraw/zinc/77/56/41/778775641.db2.gz PMOPJIOCIJHXHM-CALCHBBNSA-N 2 0 288.435 2.825 20 0 CFADRP Cc1ccc2[nH]c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2c1 ZINC001236317593 778776815 /nfs/dbraw/zinc/77/68/15/778776815.db2.gz ZPHJWKKYRIBSDT-GASCZTMLSA-N 2 0 283.419 2.908 20 0 CFADRP Fc1cc2ncccc2cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320627 778777212 /nfs/dbraw/zinc/77/72/12/778777212.db2.gz RYHQSEAZYNHEPW-GASCZTMLSA-N 2 0 299.393 2.805 20 0 CFADRP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320743 778777669 /nfs/dbraw/zinc/77/76/69/778777669.db2.gz DDINQRFHMCZFPO-GASCZTMLSA-N 2 0 262.372 2.566 20 0 CFADRP c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2c(c1)CCCC2 ZINC001236320753 778777924 /nfs/dbraw/zinc/77/79/24/778777924.db2.gz DOSHIIUSKJEBGL-CALCHBBNSA-N 2 0 284.447 2.997 20 0 CFADRP Cc1cc(F)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1 ZINC001236321973 778778614 /nfs/dbraw/zinc/77/86/14/778778614.db2.gz YNDGGEHREHENPC-BETUJISGSA-N 2 0 280.362 2.705 20 0 CFADRP c1cc2c(c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c1)CCC2 ZINC001236321345 778779055 /nfs/dbraw/zinc/77/90/55/778779055.db2.gz KUDIETDKWDJUEO-IYBDPMFKSA-N 2 0 270.420 2.607 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1 ZINC001236321189 778779128 /nfs/dbraw/zinc/77/91/28/778779128.db2.gz XTYWWKWHRWMSMZ-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP CC(C)(C)c1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccn1 ZINC001236321873 778779300 /nfs/dbraw/zinc/77/93/00/778779300.db2.gz OFKMTYCORLRXLM-IYBDPMFKSA-N 2 0 287.451 2.811 20 0 CFADRP c1cc2c(c(-c3ccc([C@@H]4CCC[NH2+]4)cn3)c1)CC[NH2+]C2 ZINC001236344970 778787898 /nfs/dbraw/zinc/78/78/98/778787898.db2.gz VUOAASDYVHOVPN-KRWDZBQOSA-N 2 0 279.387 2.819 20 0 CFADRP c1cc2c(c(-c3cccc4c3CC[NH2+]C4)c1)CC[NH2+]C2 ZINC001236355630 778789654 /nfs/dbraw/zinc/78/96/54/778789654.db2.gz YWQYARGCXAKHEG-UHFFFAOYSA-N 2 0 264.372 2.645 20 0 CFADRP CN1CCC[C@@H](C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369820 778794164 /nfs/dbraw/zinc/79/41/64/778794164.db2.gz DIWYNBHGHZOZCP-IAGOWNOFSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1c(C)c(C)c(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1C ZINC001236411799 778806398 /nfs/dbraw/zinc/80/63/98/778806398.db2.gz GYJNOUXNUWMBBQ-VQFNDLOPSA-N 2 0 272.436 2.878 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410689 778806513 /nfs/dbraw/zinc/80/65/13/778806513.db2.gz JDYVUPROAXJZCW-CAOSSQGBSA-N 2 0 250.430 2.909 20 0 CFADRP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)CCCC[NH3+] ZINC001236423649 778818496 /nfs/dbraw/zinc/81/84/96/778818496.db2.gz OSTBWAGRBDMUOD-HNNXBMFYSA-N 2 0 262.397 2.709 20 0 CFADRP [NH3+]CCCCCC[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572835 778879673 /nfs/dbraw/zinc/87/96/73/778879673.db2.gz URUYOFAZJGSVJD-KOMQPUFPSA-N 3 0 267.461 2.630 20 0 CFADRP Fc1cc(F)cc(CC[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584768 778885899 /nfs/dbraw/zinc/88/58/99/778885899.db2.gz STGZLXNEUZMQPZ-AWEZNQCLSA-N 2 0 294.389 2.971 20 0 CFADRP [NH3+][C@H](CN([C@H]1CC[NH2+]C1)C1CCCCC1)c1ccccc1 ZINC001236649820 778903985 /nfs/dbraw/zinc/90/39/85/778903985.db2.gz ZYWRTKGBDWLVIH-ZWKOTPCHSA-N 2 0 287.451 2.683 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2)C[C@H]2CCC[NH2+]2)CC1 ZINC001236681634 778909129 /nfs/dbraw/zinc/90/91/29/778909129.db2.gz HPVFJKOHDAXITC-KZNAEPCWSA-N 2 0 287.451 2.511 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168414144 778911490 /nfs/dbraw/zinc/91/14/90/778911490.db2.gz DHMPGMWBKOFXCV-JYJNAYRXSA-N 2 0 262.372 2.543 20 0 CFADRP CN1CCC[C@@H]2C[N@H+](Cc3cccc4occc43)C[C@H]21 ZINC001236737314 778924991 /nfs/dbraw/zinc/92/49/91/778924991.db2.gz DEENSBBSQNZTFP-GDBMZVCRSA-N 2 0 270.376 2.959 20 0 CFADRP CCC(CC)[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782893 778933319 /nfs/dbraw/zinc/93/33/19/778933319.db2.gz MAFMMWAVORUUOQ-BFYDXBDKSA-N 3 0 281.488 2.747 20 0 CFADRP Cc1c(F)ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC001236825863 778954574 /nfs/dbraw/zinc/95/45/74/778954574.db2.gz AWLOIAHAOHOOQN-JKOKRWQUSA-N 2 0 282.790 2.957 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC001236832633 778957676 /nfs/dbraw/zinc/95/76/76/778957676.db2.gz WHHDPRFHOWYDLH-GVDBMIGSSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@H+](CCc1cccc(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236832704 778958190 /nfs/dbraw/zinc/95/81/90/778958190.db2.gz XCCFVWUNHIERBG-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1c[nH]c(-c2ccccc2F)c1 ZINC001236884695 778972364 /nfs/dbraw/zinc/97/23/64/778972364.db2.gz PRTKGTXCPIUCPK-ZDUSSCGKSA-N 2 0 275.371 2.990 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236888898 778973298 /nfs/dbraw/zinc/97/32/98/778973298.db2.gz TYNZPDPRNBYDKE-MRXNPFEDSA-N 2 0 287.451 2.670 20 0 CFADRP CC1CC[NH+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236889063 778974157 /nfs/dbraw/zinc/97/41/57/778974157.db2.gz VUVBHUMGKNWWMO-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236948495 778984987 /nfs/dbraw/zinc/98/49/87/778984987.db2.gz QNUBCSPUFBHZFY-UHFFFAOYSA-N 3 0 281.488 2.607 20 0 CFADRP Cc1c(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccc(F)c1F ZINC001237167958 779036405 /nfs/dbraw/zinc/03/64/05/779036405.db2.gz UHNBQOVJGNZSLK-UHFFFAOYSA-N 2 0 280.362 2.801 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1ccc(C2([NH3+])CC2)cc1 ZINC001168767703 779039553 /nfs/dbraw/zinc/03/95/53/779039553.db2.gz HZZPLNZGHXWQNQ-UHFFFAOYSA-N 2 0 261.413 2.634 20 0 CFADRP Cc1ncc2n1CCN([C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168433162 779041065 /nfs/dbraw/zinc/04/10/65/779041065.db2.gz WIAKCUYLNVFYQL-INIZCTEOSA-N 2 0 285.366 2.704 20 0 CFADRP COc1nc(Cl)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001237247052 779059190 /nfs/dbraw/zinc/05/91/90/779059190.db2.gz YRPIYLYENVUOKC-UHFFFAOYSA-N 2 0 297.830 2.517 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(Cc4ccccc4N3)CC2)C1 ZINC001237332490 779079119 /nfs/dbraw/zinc/07/91/19/779079119.db2.gz DBELHTPBKGKHAB-INIZCTEOSA-N 2 0 299.462 2.831 20 0 CFADRP [NH3+][C@@H]1CCC12CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001237355469 779082186 /nfs/dbraw/zinc/08/21/86/779082186.db2.gz BOEAZXODLLAQIM-MRXNPFEDSA-N 3 0 279.472 2.502 20 0 CFADRP c1ccc2c(c1)C[NH2+]C21CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001237358252 779083049 /nfs/dbraw/zinc/08/30/49/779083049.db2.gz DTIQUDBETFZISB-QGZVFWFLSA-N 2 0 299.462 2.613 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237385053 779088927 /nfs/dbraw/zinc/08/89/27/779088927.db2.gz ZRDGRQZCVXJCHG-SJLPKXTDSA-N 2 0 288.435 2.702 20 0 CFADRP c1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2[nH]1 ZINC001237383922 779089611 /nfs/dbraw/zinc/08/96/11/779089611.db2.gz SUZIZZXDTCHKSA-NVXWUHKLSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)c1 ZINC001237383919 779089851 /nfs/dbraw/zinc/08/98/51/779089851.db2.gz SRQQJUSNNCZESI-SJORKVTESA-N 2 0 258.409 2.877 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2c1 ZINC001237388139 779091581 /nfs/dbraw/zinc/09/15/81/779091581.db2.gz CKAFJRCGXPOXMH-NVXWUHKLSA-N 2 0 281.403 2.809 20 0 CFADRP Cn1ccc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237394838 779094629 /nfs/dbraw/zinc/09/46/29/779094629.db2.gz WKNYJOSWZFMMOZ-SJORKVTESA-N 2 0 283.419 2.752 20 0 CFADRP c1cc2ccncc2c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237401285 779096280 /nfs/dbraw/zinc/09/62/80/779096280.db2.gz CQVIJERCSLADJP-AEFFLSMTSA-N 2 0 281.403 2.809 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237404642 779099252 /nfs/dbraw/zinc/09/92/52/779099252.db2.gz OGKICICLIGIVDT-IRXDYDNUSA-N 2 0 258.409 2.823 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)NCCC2 ZINC001237410377 779101256 /nfs/dbraw/zinc/10/12/56/779101256.db2.gz CMNCKJDYMUBDKG-IAGOWNOFSA-N 2 0 285.435 2.619 20 0 CFADRP c1nc2ccc(CN3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2s1 ZINC001237413940 779102369 /nfs/dbraw/zinc/10/23/69/779102369.db2.gz JTCLCXNKPOBOHS-KGLIPLIRSA-N 2 0 287.432 2.870 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(F)ccc4C3)C2)C1 ZINC001168446041 779150537 /nfs/dbraw/zinc/15/05/37/779150537.db2.gz OABBNFJBEVPKPT-ZWKOTPCHSA-N 2 0 288.410 2.711 20 0 CFADRP COc1ccc(C)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001237712128 779166311 /nfs/dbraw/zinc/16/63/11/779166311.db2.gz ZDSHDGJVTKKCHA-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C)c1C ZINC001205094475 779167640 /nfs/dbraw/zinc/16/76/40/779167640.db2.gz MQTJHUXYBBEYNM-OAHLLOKOSA-N 2 0 262.397 2.625 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc4c3OCC4)C2)CC1 ZINC001237749193 779174049 /nfs/dbraw/zinc/17/40/49/779174049.db2.gz NOUYDTOWFDMWKQ-UHFFFAOYSA-N 2 0 286.419 2.539 20 0 CFADRP Cc1cc2cc(NCC3([NH+]4CCCC4)COC3)ccc2c[nH+]1 ZINC001168450184 779177904 /nfs/dbraw/zinc/17/79/04/779177904.db2.gz IPLXGCGYXDCVOA-UHFFFAOYSA-N 2 0 297.402 2.820 20 0 CFADRP CC(C)[N@H+](CCC[NH3+])[C@@H](C)Cc1cccc(F)c1 ZINC001168456851 779184427 /nfs/dbraw/zinc/18/44/27/779184427.db2.gz XKUFBAOBJPQOBW-ZDUSSCGKSA-N 2 0 252.377 2.816 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCc3ccc(O)cc3)C2)C1 ZINC001278160960 779202023 /nfs/dbraw/zinc/20/20/23/779202023.db2.gz RMXDIHVKHYOIQW-GOSISDBHSA-N 2 0 288.435 2.743 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(O)c3ccccc23)CC1 ZINC001205101201 779206581 /nfs/dbraw/zinc/20/65/81/779206581.db2.gz BHVBYVOJOJVYNZ-AWEZNQCLSA-N 2 0 270.376 2.859 20 0 CFADRP CCOc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1F ZINC001237957703 779216996 /nfs/dbraw/zinc/21/69/96/779216996.db2.gz DDWHFDQGDDVMEL-UHFFFAOYSA-N 2 0 292.398 2.752 20 0 CFADRP C[Si](C)(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205110299 779235431 /nfs/dbraw/zinc/23/54/31/779235431.db2.gz QYSKWOJJCZRSBO-HNNXBMFYSA-N 2 0 276.500 2.545 20 0 CFADRP C[N@@H+](Cc1ccccc1F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699300820 779237779 /nfs/dbraw/zinc/23/77/79/779237779.db2.gz MFAQLIKUSROTOG-LQDVMPOASA-N 2 0 262.372 2.788 20 0 CFADRP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001238107897 779254389 /nfs/dbraw/zinc/25/43/89/779254389.db2.gz SJLJMGCRRURLQM-ZIAGYGMSSA-N 2 0 255.365 2.956 20 0 CFADRP Cc1ccc(O)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001238107485 779254976 /nfs/dbraw/zinc/25/49/76/779254976.db2.gz QQAXUONGCPFFGY-UHFFFAOYSA-N 2 0 274.408 2.618 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2nccc3ccccc32)CC1 ZINC001205116974 779259099 /nfs/dbraw/zinc/25/90/99/779259099.db2.gz KFFOBDKXWOSTFH-CQSZACIVSA-N 2 0 255.365 2.548 20 0 CFADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCOCC[NH3+] ZINC000699445946 779263789 /nfs/dbraw/zinc/26/37/89/779263789.db2.gz WCCDRSARYCJCED-LLVKDONJSA-N 2 0 290.329 2.674 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2C(F)F)C[C@H]1C[NH3+] ZINC001205140552 779324561 /nfs/dbraw/zinc/32/45/61/779324561.db2.gz NHFFKTYNWKQVNU-CMPLNLGQSA-N 2 0 254.324 2.651 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184409 779328252 /nfs/dbraw/zinc/32/82/52/779328252.db2.gz KOKGTAJVGAFNSO-ZBFHGGJFSA-N 2 0 258.409 2.851 20 0 CFADRP Cc1ccc(Cl)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC001238568328 779342340 /nfs/dbraw/zinc/34/23/40/779342340.db2.gz FHZQEFWODSXZEX-OKILXGFUSA-N 2 0 264.800 2.642 20 0 CFADRP COc1cc(C)cc(F)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001238585946 779343212 /nfs/dbraw/zinc/34/32/12/779343212.db2.gz PXUOVHFELKYOQN-UHFFFAOYSA-N 2 0 294.414 2.916 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000715254334 779352202 /nfs/dbraw/zinc/35/22/02/779352202.db2.gz FMMFMKDMJHBLGF-UHFFFAOYSA-N 2 0 282.378 2.970 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000715282807 779415299 /nfs/dbraw/zinc/41/52/99/779415299.db2.gz HFFYQSZYTAXIQC-UHFFFAOYSA-N 2 0 264.388 2.831 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000715283455 779416215 /nfs/dbraw/zinc/41/62/15/779416215.db2.gz JJWFBBUUBALIIQ-UHFFFAOYSA-N 2 0 264.388 2.831 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2cnoc2)CC1 ZINC001239188269 779466545 /nfs/dbraw/zinc/46/65/45/779466545.db2.gz IDOBOAQZQSURJB-UHFFFAOYSA-N 2 0 271.364 2.512 20 0 CFADRP CC[NH+]1CCC(CC2CCN(C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001236191711 779494450 /nfs/dbraw/zinc/49/44/50/779494450.db2.gz CKYSXPQRNSRHAW-GOSISDBHSA-N 2 0 293.499 2.572 20 0 CFADRP c1cc(C[NH+]2CCC[NH2+]CCC2)c2c(c1)CCCC2 ZINC001236239644 779506873 /nfs/dbraw/zinc/50/68/73/779506873.db2.gz KFVSAFQYKNIPBA-UHFFFAOYSA-N 2 0 258.409 2.751 20 0 CFADRP Cc1ccc(C[N@@H+](C)CC2(F)CC[NH2+]CC2)cc1C ZINC001236240301 779507514 /nfs/dbraw/zinc/50/75/14/779507514.db2.gz LAQDIEXVRLZUOH-UHFFFAOYSA-N 2 0 264.388 2.827 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cncc(C[NH3+])c2)nc1 ZINC001239790740 779774953 /nfs/dbraw/zinc/77/49/53/779774953.db2.gz RELJTNZQZFQCQY-QGZVFWFLSA-N 2 0 282.391 2.759 20 0 CFADRP [NH3+]Cc1cncc(-c2cccc3c2C2(CC3)CC[NH2+]CC2)c1 ZINC001239797518 779779826 /nfs/dbraw/zinc/77/98/26/779779826.db2.gz SBRRGYVYPWBSOA-UHFFFAOYSA-N 2 0 293.414 2.775 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc(C3([NH3+])CCC3)cc2)c1 ZINC001239799389 779782275 /nfs/dbraw/zinc/78/22/75/779782275.db2.gz SRHQZIZQEQSLOE-UHFFFAOYSA-N 2 0 253.349 2.545 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc(C[NH+]3CCCC3)c(F)c2)c1 ZINC001239809828 779790931 /nfs/dbraw/zinc/79/09/31/779790931.db2.gz XDBMIFCCTMJCFG-UHFFFAOYSA-N 2 0 285.366 2.942 20 0 CFADRP Cc1cnc(C)c(-c2ccc(CN3CC[C@H]([NH3+])C3)cc2)c1 ZINC001239907016 779854139 /nfs/dbraw/zinc/85/41/39/779854139.db2.gz IPEUYZCPUHCKAW-KRWDZBQOSA-N 2 0 281.403 2.898 20 0 CFADRP [NH3+]C[C@]1(O)CCC[N@H+](CCCC2CCCCC2)CC1 ZINC001205210526 779917887 /nfs/dbraw/zinc/91/78/87/779917887.db2.gz PLSIOXBIXCRORN-INIZCTEOSA-N 2 0 268.445 2.523 20 0 CFADRP Cc1cnc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(C)c1 ZINC001278307040 779930204 /nfs/dbraw/zinc/93/02/04/779930204.db2.gz YXUZYGTZAFYVFS-UHFFFAOYSA-N 2 0 273.424 2.616 20 0 CFADRP c1cc(-c2cnc3c(c2)C[NH2+]CC3)ccc1C[NH+]1CCCC1 ZINC001240058271 779930337 /nfs/dbraw/zinc/93/03/37/779930337.db2.gz DVUYVCREPMFURR-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)C[NH2+]C2 ZINC001168601385 780031786 /nfs/dbraw/zinc/03/17/86/780031786.db2.gz NOCFIVDFJBWJGX-HOTGVXAUSA-N 2 0 259.397 2.575 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715562876 780170162 /nfs/dbraw/zinc/17/01/62/780170162.db2.gz RVDMLVQCVIULAW-QQFBHYJXSA-N 2 0 276.424 2.916 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2ccsc2)CC1 ZINC000715582311 780174077 /nfs/dbraw/zinc/17/40/77/780174077.db2.gz ZJLHGIWVMJHEDZ-UHFFFAOYSA-N 2 0 252.427 2.753 20 0 CFADRP CC[N@H+]1CC=C(c2cnc(C3=CC[NH2+]CC3)c(C)c2)CC1 ZINC001240466144 780183251 /nfs/dbraw/zinc/18/32/51/780183251.db2.gz SNPJAPJVECZEKX-UHFFFAOYSA-N 2 0 283.419 2.876 20 0 CFADRP c1cc(C2=CC[NH2+]CC2)ccc1SC1CC[NH2+]CC1 ZINC001240470169 780187488 /nfs/dbraw/zinc/18/74/88/780187488.db2.gz CLONOAPTVRKZCU-UHFFFAOYSA-N 2 0 274.433 2.907 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684584 780321554 /nfs/dbraw/zinc/32/15/54/780321554.db2.gz KMDHZRQJTCFFHC-TZMCWYRMSA-N 2 0 278.827 2.739 20 0 CFADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168686208 780325792 /nfs/dbraw/zinc/32/57/92/780325792.db2.gz WQKWGOOMYIRQRQ-CYBMUJFWSA-N 2 0 266.816 2.866 20 0 CFADRP Fc1cc(C2=CCC[NH2+]C2)ccc1C[NH+]1CCCC1 ZINC001240671330 780344996 /nfs/dbraw/zinc/34/49/96/780344996.db2.gz SBJLEDDLYLLBII-UHFFFAOYSA-N 2 0 260.356 2.798 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCC2 ZINC000453191876 780421371 /nfs/dbraw/zinc/42/13/71/780421371.db2.gz FXMHNBKOQHIWHS-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422757878 780433542 /nfs/dbraw/zinc/43/35/42/780433542.db2.gz NGANLSJJGPVXTE-GDEOVYGZSA-N 2 0 292.467 2.545 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(O)c(C(F)(F)F)c2)CC1 ZINC001205047016 780470473 /nfs/dbraw/zinc/47/04/73/780470473.db2.gz MHHFFCWGUBRXNA-UHFFFAOYSA-N 2 0 288.313 2.582 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3cccn4c[nH+]cc34)cc2)CC1 ZINC001240853841 780478126 /nfs/dbraw/zinc/47/81/26/780478126.db2.gz BBJIQDHXFASJAC-UHFFFAOYSA-N 2 0 292.386 2.753 20 0 CFADRP COc1cc(C)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001143159373 780567297 /nfs/dbraw/zinc/56/72/97/780567297.db2.gz BQOAECBDBKFDBI-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168737572 780580341 /nfs/dbraw/zinc/58/03/41/780580341.db2.gz ACRHHFJZFJEXRH-CQSZACIVSA-N 2 0 290.838 2.835 20 0 CFADRP CN1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@H]21 ZINC001168742764 780599384 /nfs/dbraw/zinc/59/93/84/780599384.db2.gz GKZHXDKOGCBJMC-CKEIUWERSA-N 2 0 290.838 2.833 20 0 CFADRP C[N@@H+]1CC[C@H](c2ccc(C3=CC[NH+](C)CC3)cc2)C1 ZINC001241332083 780785595 /nfs/dbraw/zinc/78/55/95/780785595.db2.gz GWJGOWUDFABWCZ-KRWDZBQOSA-N 2 0 256.393 2.825 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000702001877 780866234 /nfs/dbraw/zinc/86/62/34/780866234.db2.gz GNCYTFNFMZSLHC-GJZGRUSLSA-N 2 0 273.405 2.856 20 0 CFADRP CCCOc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001241591437 781001743 /nfs/dbraw/zinc/00/17/43/781001743.db2.gz XEDZEUVKVJTGCD-UHFFFAOYSA-N 2 0 297.402 2.947 20 0 CFADRP Cc1cc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c2ccccc2[nH+]1 ZINC000703558683 781029956 /nfs/dbraw/zinc/02/99/56/781029956.db2.gz TZOKLECHSHPZIL-SUMWQHHRSA-N 2 0 267.376 2.589 20 0 CFADRP CC[NH+]1CCN(c2ccc(-c3cc(N)c(C)c[nH+]3)cc2)CC1 ZINC001241742559 781105334 /nfs/dbraw/zinc/10/53/34/781105334.db2.gz NGCQYEFWWMDHJG-UHFFFAOYSA-N 2 0 296.418 2.781 20 0 CFADRP Cc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc(Cl)n1 ZINC000705184467 781136731 /nfs/dbraw/zinc/13/67/31/781136731.db2.gz RFZXJOKYRZPHKC-CYBMUJFWSA-N 2 0 281.831 2.817 20 0 CFADRP c1c(C[NH2+][C@@H]2CCCC23CC3)sc2c1C[NH2+]CC2 ZINC000706536093 781186532 /nfs/dbraw/zinc/18/65/32/781186532.db2.gz MKHWVNKSBYSTSO-CQSZACIVSA-N 2 0 262.422 2.816 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000709652010 781296095 /nfs/dbraw/zinc/29/60/95/781296095.db2.gz BVXZZAJBGQHYKI-RDBSUJKOSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1)[NH2+]2 ZINC000709329366 781309796 /nfs/dbraw/zinc/30/97/96/781309796.db2.gz JKYSLXBFJCUQEX-NZEXEKPDSA-N 2 0 258.356 2.683 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C12CCC2 ZINC000710559080 781318012 /nfs/dbraw/zinc/31/80/12/781318012.db2.gz JQZCOHZLEZOQGB-VXGBXAGGSA-N 2 0 258.356 2.671 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C(C)(C)O1 ZINC000709890420 781321885 /nfs/dbraw/zinc/32/18/85/781321885.db2.gz GKCVNHOYTHMPDB-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709921188 781322515 /nfs/dbraw/zinc/32/25/15/781322515.db2.gz VNPHTSFGKOZJCH-CVEARBPZSA-N 2 0 278.440 2.554 20 0 CFADRP c1cc(C[NH2+][C@@]23C[C@@H]2CCCC3)c2c(c1)C[NH2+]CC2 ZINC000710346761 781333129 /nfs/dbraw/zinc/33/31/29/781333129.db2.gz RWVJSLVHYUGVKK-RDJZCZTQSA-N 2 0 256.393 2.755 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(Cl)cc1 ZINC000710704680 781334963 /nfs/dbraw/zinc/33/49/63/781334963.db2.gz COTIWVNMPYNRLT-UHFFFAOYSA-N 2 0 297.830 2.729 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccccc1Cl ZINC000710705033 781335114 /nfs/dbraw/zinc/33/51/14/781335114.db2.gz GZEZOFTVLPMABD-UHFFFAOYSA-N 2 0 297.830 2.729 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc2c(c1)CCO2 ZINC000710760929 781338411 /nfs/dbraw/zinc/33/84/11/781338411.db2.gz VJCCNKABRXXDAF-UHFFFAOYSA-N 2 0 262.397 2.572 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(Cl)cn1 ZINC000710820343 781340895 /nfs/dbraw/zinc/34/08/95/781340895.db2.gz XIXAJSCMAIUPDY-UHFFFAOYSA-N 2 0 255.793 2.686 20 0 CFADRP CC(=O)Nc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1 ZINC000710841179 781341109 /nfs/dbraw/zinc/34/11/09/781341109.db2.gz GEAVQZWGLBTLPV-UHFFFAOYSA-N 2 0 277.412 2.596 20 0 CFADRP C[C@H]([NH3+])c1ccccc1-c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242729541 781727476 /nfs/dbraw/zinc/72/74/76/781727476.db2.gz GCBIUQTUIQPKBH-ZDUSSCGKSA-N 2 0 284.407 2.837 20 0 CFADRP Cc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)nc1 ZINC001242907384 781835996 /nfs/dbraw/zinc/83/59/96/781835996.db2.gz KRPUYGYUDHKOOZ-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[NH2+]Cc1cccc(-c2cncc(C[NH+](C)C)c2)c1 ZINC001242995445 781909105 /nfs/dbraw/zinc/90/91/05/781909105.db2.gz AWOTXAODAYYNLN-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000594514745 349437363 /nfs/dbraw/zinc/43/73/63/349437363.db2.gz OHIKTFBLDZAXBP-CYBMUJFWSA-N 2 0 298.471 2.817 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085115556 282086979 /nfs/dbraw/zinc/08/69/79/282086979.db2.gz VITFPANSKJKFQQ-UHFFFAOYSA-N 2 0 252.324 2.649 20 0 CFADRP CN(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127674497 187325212 /nfs/dbraw/zinc/32/52/12/187325212.db2.gz OVIJOKRXBPRSOD-FUHWJXTLSA-N 2 0 287.451 2.729 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000127718167 187328746 /nfs/dbraw/zinc/32/87/46/187328746.db2.gz VFVIJAUWQBPBTN-ZIAGYGMSSA-N 2 0 295.858 2.627 20 0 CFADRP CC[C@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+](C)C ZINC000124746951 187151700 /nfs/dbraw/zinc/15/17/00/187151700.db2.gz GZRUMMTYWDDIMB-MRXNPFEDSA-N 2 0 291.439 2.807 20 0 CFADRP CCC(CC)(C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)OC ZINC000423041718 282120944 /nfs/dbraw/zinc/12/09/44/282120944.db2.gz XVIJGGGPHUSOAX-GJZGRUSLSA-N 2 0 298.471 2.866 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000594975931 349537167 /nfs/dbraw/zinc/53/71/67/349537167.db2.gz XKRKPUHKIYRLKP-UONOGXRCSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000595003833 349544035 /nfs/dbraw/zinc/54/40/35/349544035.db2.gz LEGRCLFHCJUZOB-KBPBESRZSA-N 2 0 276.465 2.932 20 0 CFADRP C[C@@H](CSCCF)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000595052571 349565713 /nfs/dbraw/zinc/56/57/13/349565713.db2.gz RUVYCFARPFQKCW-NSHDSACASA-N 2 0 267.373 2.515 20 0 CFADRP CCC[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290264528 197651581 /nfs/dbraw/zinc/65/15/81/197651581.db2.gz KZTBYEYKZPEXDM-AWEZNQCLSA-N 2 0 279.428 2.690 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423532658 290637524 /nfs/dbraw/zinc/63/75/24/290637524.db2.gz VOVBCZAXHGEJCE-OADHPXTJSA-N 2 0 262.441 2.918 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000261978534 290642778 /nfs/dbraw/zinc/64/27/78/290642778.db2.gz HACOXYNVRYSXJN-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCCC(=O)OC(C)(C)C)C2 ZINC000595504983 349644151 /nfs/dbraw/zinc/64/41/51/349644151.db2.gz OGTSOSIYBYPCCD-QGZVFWFLSA-N 2 0 296.455 2.526 20 0 CFADRP CCC(CC)[N@H+](CCOC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300146121 282184296 /nfs/dbraw/zinc/18/42/96/282184296.db2.gz WJTAGFOGLYEOCF-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP CCC(CC)[N@H+](CCC[NH+]1CCCCC1)CCOC ZINC000444622800 282180758 /nfs/dbraw/zinc/18/07/58/282180758.db2.gz HUBCPKVDXNUEHW-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000070188283 346908056 /nfs/dbraw/zinc/90/80/56/346908056.db2.gz VFCCOTZEGURBMK-UHFFFAOYSA-N 2 0 296.798 2.630 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[NH3+])c[nH]c21 ZINC000422907431 529553759 /nfs/dbraw/zinc/55/37/59/529553759.db2.gz BRVJWGPAHYTFAG-JKSUJKDBSA-N 2 0 271.408 2.742 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000070360471 346909741 /nfs/dbraw/zinc/90/97/41/346909741.db2.gz UIJYKMRFFMWNIJ-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP CCc1ccccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420339340 529579287 /nfs/dbraw/zinc/57/92/87/529579287.db2.gz SKUZOEGCTLHATK-MSOLQXFVSA-N 2 0 288.435 2.577 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423324826 529590378 /nfs/dbraw/zinc/59/03/78/529590378.db2.gz JCBNGOIYEGCUIW-ZDUSSCGKSA-N 2 0 265.376 2.651 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CC1(C)C ZINC000414115521 529593727 /nfs/dbraw/zinc/59/37/27/529593727.db2.gz NCRKJIMTFIKNBU-IRXDYDNUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423251925 529606473 /nfs/dbraw/zinc/60/64/73/529606473.db2.gz SOTKGZHQRNENFY-DOMZBBRYSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]CCCOc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422862293 529599301 /nfs/dbraw/zinc/59/93/01/529599301.db2.gz PRZUKWXZEADSKU-IRXDYDNUSA-N 2 0 276.424 2.884 20 0 CFADRP CC[C@H]([NH2+]C[C@H](c1cccnc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422836267 529620503 /nfs/dbraw/zinc/62/05/03/529620503.db2.gz QTZUBNPJLGUPIT-ULQDDVLXSA-N 2 0 275.440 2.941 20 0 CFADRP CCc1ccc(CC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422635948 529628229 /nfs/dbraw/zinc/62/82/29/529628229.db2.gz MDZPUEDVTIVWHD-UHFFFAOYSA-N 2 0 258.409 2.619 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422755778 529614258 /nfs/dbraw/zinc/61/42/58/529614258.db2.gz HALJJTLLRBUZNW-VGWMRTNUSA-N 2 0 282.472 2.948 20 0 CFADRP CCc1cnc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414697802 529645076 /nfs/dbraw/zinc/64/50/76/529645076.db2.gz CBHDSIMHESDWHL-NWDGAFQWSA-N 2 0 267.442 2.525 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1cc(F)ccc1F ZINC000422916228 529654101 /nfs/dbraw/zinc/65/41/01/529654101.db2.gz CXDLSXSJUMRIPL-WFASDCNBSA-N 2 0 286.366 2.759 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(C)(C)C ZINC000374420901 282214758 /nfs/dbraw/zinc/21/47/58/282214758.db2.gz MQDKXWLUNNHJMQ-KFWWJZLASA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)[C@@H]1CCC[NH2+]1 ZINC000422770455 529671060 /nfs/dbraw/zinc/67/10/60/529671060.db2.gz WTKJVKZVUNCMFK-XUXIUFHCSA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)[C@@H]1CCC[NH2+]1 ZINC000422770453 529657822 /nfs/dbraw/zinc/65/78/22/529657822.db2.gz WTKJVKZVUNCMFK-MQYQWHSLSA-N 2 0 256.459 2.781 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423014220 529681598 /nfs/dbraw/zinc/68/15/98/529681598.db2.gz HVSMOQQZDWBKQO-OPFPJEHXSA-N 2 0 261.413 2.812 20 0 CFADRP C[C@H](CN[C@H](c1ncc[nH]1)c1ccccc1)[N@H+](C)C1CC1 ZINC000126731726 187258980 /nfs/dbraw/zinc/25/89/80/187258980.db2.gz UDLCBMVBRIIZDH-CJNGLKHVSA-N 2 0 284.407 2.571 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126723853 187257629 /nfs/dbraw/zinc/25/76/29/187257629.db2.gz VWHFJGTXKOUYLC-KRWDZBQOSA-N 2 0 298.434 2.821 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000358339666 282274070 /nfs/dbraw/zinc/27/40/70/282274070.db2.gz JNEXRILGUGGUTG-KBMXLJTQSA-N 2 0 270.461 2.758 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000423406209 529722305 /nfs/dbraw/zinc/72/23/05/529722305.db2.gz ULMUOLFLERDCIU-GMXVVIOVSA-N 2 0 252.427 2.959 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414790368 529753475 /nfs/dbraw/zinc/75/34/75/529753475.db2.gz ZRIDOCDQYYWJNQ-OLZOCXBDSA-N 2 0 279.453 2.527 20 0 CFADRP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422558453 529754548 /nfs/dbraw/zinc/75/45/48/529754548.db2.gz AQPRJCRGMZJRII-SRVKXCTJSA-N 2 0 267.442 2.511 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128024263 187346508 /nfs/dbraw/zinc/34/65/08/187346508.db2.gz YZSAFHZQPPKQCL-DLBZAZTESA-N 2 0 258.409 2.754 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126931146 187271363 /nfs/dbraw/zinc/27/13/63/187271363.db2.gz ZNMMHBNXFXNUHL-YPMHNXCESA-N 2 0 258.365 2.910 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348125131 539387348 /nfs/dbraw/zinc/38/73/48/539387348.db2.gz XBTQTZUGNPOWCK-FVQBIDKESA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423184388 529971714 /nfs/dbraw/zinc/97/17/14/529971714.db2.gz HTLNKDGQLKUQRC-SNVBAGLBSA-N 2 0 260.303 2.966 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CC2CCCC2)CC1 ZINC000075007442 347047450 /nfs/dbraw/zinc/04/74/50/347047450.db2.gz DUTLTOUDDBAILE-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]CCCc1c(F)cccc1Cl ZINC000414839611 529985261 /nfs/dbraw/zinc/98/52/61/529985261.db2.gz LORJABFYLBNYHJ-LLVKDONJSA-N 2 0 272.795 2.857 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414838728 529985360 /nfs/dbraw/zinc/98/53/60/529985360.db2.gz LMRDAFNQEFZSAL-VXGBXAGGSA-N 2 0 299.256 2.998 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000423271636 529985720 /nfs/dbraw/zinc/98/57/20/529985720.db2.gz JDHOVIQRJRNKKY-KGLIPLIRSA-N 2 0 286.423 2.593 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000423283085 529985861 /nfs/dbraw/zinc/98/58/61/529985861.db2.gz XBLFDGMPEFWYGB-VXGBXAGGSA-N 2 0 276.380 2.948 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414831108 529985904 /nfs/dbraw/zinc/98/59/04/529985904.db2.gz CADHKNMNYKBFNN-VXGBXAGGSA-N 2 0 299.256 2.825 20 0 CFADRP C[NH2+]C[C@H](C)CNc1c(C)c(C)[nH+]c2ccccc21 ZINC000420201766 529993752 /nfs/dbraw/zinc/99/37/52/529993752.db2.gz NKACCWFLRSTXTB-NSHDSACASA-N 2 0 257.381 2.541 20 0 CFADRP C[NH2+]C[C@H](C)CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414829070 529998725 /nfs/dbraw/zinc/99/87/25/529998725.db2.gz AJGIKOVLZQJUGZ-INIZCTEOSA-N 2 0 291.483 2.590 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000423284349 529999262 /nfs/dbraw/zinc/99/92/62/529999262.db2.gz YDXIXSKLPSDKDA-AAEUAGOBSA-N 2 0 280.412 2.518 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414846708 529999566 /nfs/dbraw/zinc/99/95/66/529999566.db2.gz UXQRIPAFIPLDIS-QWHCGFSZSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000423255585 529999696 /nfs/dbraw/zinc/99/96/96/529999696.db2.gz AIASCPCKVYUVCK-RRQGHBQHSA-N 2 0 294.414 2.881 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423268322 529999814 /nfs/dbraw/zinc/99/98/14/529999814.db2.gz FYYLFUCPZLFLSP-WDEREUQCSA-N 2 0 285.229 2.955 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423280031 530000127 /nfs/dbraw/zinc/00/01/27/530000127.db2.gz UCFUWKPGHABOJQ-NHYWBVRUSA-N 2 0 291.395 2.676 20 0 CFADRP C[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC([NH3+])C1 ZINC000414766549 529992561 /nfs/dbraw/zinc/99/25/61/529992561.db2.gz DWDLXTRSCAWKLK-UHFFFAOYSA-N 2 0 267.376 2.670 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121094580 539399700 /nfs/dbraw/zinc/39/97/00/539399700.db2.gz KLGFHOMDXMZMQP-BDJLRTHQSA-N 2 0 280.362 2.884 20 0 CFADRP C[C@H]([NH2+]CC(C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000088455760 539404657 /nfs/dbraw/zinc/40/46/57/539404657.db2.gz JPSNAKPBMIHYFQ-LBPRGKRZSA-N 2 0 250.430 2.743 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423165627 530060803 /nfs/dbraw/zinc/06/08/03/530060803.db2.gz BHPRQTVDWNGCAU-ZJPYXAASSA-N 3 0 293.499 2.619 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000414169811 530060871 /nfs/dbraw/zinc/06/08/71/530060871.db2.gz BNSVJMDXWSRIJW-YYIAUSFCSA-N 2 0 292.467 2.656 20 0 CFADRP CCCc1nc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)cs1 ZINC000226031817 539426610 /nfs/dbraw/zinc/42/66/10/539426610.db2.gz HKZBSFRMRQGPEH-WCQYABFASA-N 2 0 267.442 2.655 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)ccc2n1 ZINC000097862679 232182160 /nfs/dbraw/zinc/18/21/60/232182160.db2.gz SYNGHXYJRWNRCP-MLGOLLRUSA-N 2 0 269.392 2.712 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000152866918 232218971 /nfs/dbraw/zinc/21/89/71/232218971.db2.gz CSIIWJKACWFGSR-CHWSQXEVSA-N 2 0 292.398 2.969 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089668710 539481875 /nfs/dbraw/zinc/48/18/75/539481875.db2.gz UVYUJJZLVSCYDA-WMLDXEAASA-N 2 0 276.424 2.694 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089668709 539482097 /nfs/dbraw/zinc/48/20/97/539482097.db2.gz UVYUJJZLVSCYDA-PBHICJAKSA-N 2 0 276.424 2.694 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089668711 539482148 /nfs/dbraw/zinc/48/21/48/539482148.db2.gz UVYUJJZLVSCYDA-RHSMWYFYSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000070174802 539486302 /nfs/dbraw/zinc/48/63/02/539486302.db2.gz RXLCGUMCPBBCJZ-OLZOCXBDSA-N 2 0 282.428 2.977 20 0 CFADRP CC(C)(C)CC[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668442044 539490498 /nfs/dbraw/zinc/49/04/98/539490498.db2.gz ZLIUTVZCXPIFJF-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ncsc1CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000172431989 232269600 /nfs/dbraw/zinc/26/96/00/232269600.db2.gz LQTXXRFVPHTTOY-UHFFFAOYSA-N 2 0 281.469 2.658 20 0 CFADRP COC[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000075625748 347088605 /nfs/dbraw/zinc/08/86/05/347088605.db2.gz VYBLCFBEUNOXMZ-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127494919 187310947 /nfs/dbraw/zinc/31/09/47/187310947.db2.gz BKXCIFURNCZCKV-DLBZAZTESA-N 2 0 289.467 2.590 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123994915 539512945 /nfs/dbraw/zinc/51/29/45/539512945.db2.gz PGNHDQNBLSWTCV-QGZVFWFLSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H](CCO)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090187955 539527569 /nfs/dbraw/zinc/52/75/69/539527569.db2.gz LYHOKGRSJNKRDV-WBVHZDCISA-N 2 0 290.451 2.648 20 0 CFADRP CC[C@@H](O)CC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090189313 539527854 /nfs/dbraw/zinc/52/78/54/539527854.db2.gz AWRKTGFQDNSILP-IAGOWNOFSA-N 2 0 290.451 2.790 20 0 CFADRP C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)CC1CC[NH+](C)CC1 ZINC000019789593 346242175 /nfs/dbraw/zinc/24/21/75/346242175.db2.gz VVTJLDPPGPXQGL-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP CCc1ncc(CNC[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040623534 346346937 /nfs/dbraw/zinc/34/69/37/346346937.db2.gz VDVDUCJNWNZRON-GFCCVEGCSA-N 2 0 267.442 2.525 20 0 CFADRP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037904818 346335822 /nfs/dbraw/zinc/33/58/22/346335822.db2.gz BZKKXPYAYAXYAZ-LBPRGKRZSA-N 2 0 264.438 2.884 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128496203 187374611 /nfs/dbraw/zinc/37/46/11/187374611.db2.gz ALVCDDZMGNCRNW-KRWDZBQOSA-N 2 0 289.467 2.673 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000086510292 347486348 /nfs/dbraw/zinc/48/63/48/347486348.db2.gz YXNSXLVRXHUKMY-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000090581212 347552596 /nfs/dbraw/zinc/55/25/96/347552596.db2.gz HQFPQXFYXWYVDC-WBVHZDCISA-N 2 0 272.436 2.939 20 0 CFADRP CCCn1ccc(C[NH2+]CC2CC[NH+](CC)CC2)c1 ZINC000091013022 347565804 /nfs/dbraw/zinc/56/58/04/347565804.db2.gz NOVWVMXGNSQHHK-UHFFFAOYSA-N 2 0 263.429 2.720 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090469058 347551004 /nfs/dbraw/zinc/55/10/04/347551004.db2.gz ITWVTOUYQBVDMG-RDJZCZTQSA-N 2 0 260.425 2.776 20 0 CFADRP COCc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000093688346 347681750 /nfs/dbraw/zinc/68/17/50/347681750.db2.gz YEKOSNQQBITBAH-UHFFFAOYSA-N 2 0 294.439 2.980 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000094010161 347690239 /nfs/dbraw/zinc/69/02/39/347690239.db2.gz XFZYRXQWRMYKFR-RYUDHWBXSA-N 2 0 264.335 2.697 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093210490 347665422 /nfs/dbraw/zinc/66/54/22/347665422.db2.gz QHNGELTWUDXHSG-MSOLQXFVSA-N 3 0 289.467 2.888 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000093215157 347666381 /nfs/dbraw/zinc/66/63/81/347666381.db2.gz JYIDVJJOMZGQKR-QWHCGFSZSA-N 2 0 250.411 2.638 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107855753 347736553 /nfs/dbraw/zinc/73/65/53/347736553.db2.gz UYRBCGGTKATXBU-CKMBUZLOSA-N 2 0 274.452 2.744 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107855756 347736803 /nfs/dbraw/zinc/73/68/03/347736803.db2.gz UYRBCGGTKATXBU-WRECPOHLSA-N 2 0 274.452 2.744 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108917332 347744488 /nfs/dbraw/zinc/74/44/88/347744488.db2.gz NMDFKSAVGCWJRL-UHFFFAOYSA-N 2 0 291.439 2.717 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000126892845 347837984 /nfs/dbraw/zinc/83/79/84/347837984.db2.gz KZYBWLOFDQUZAQ-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cscn1 ZINC000396452141 539579449 /nfs/dbraw/zinc/57/94/49/539579449.db2.gz VEJQCKHPTGLHRB-WDEREUQCSA-N 2 0 253.415 2.524 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000396462129 539579763 /nfs/dbraw/zinc/57/97/63/539579763.db2.gz QHNNJZYWJXNBHJ-SJKOYZFVSA-N 2 0 273.424 2.576 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000131481187 347878919 /nfs/dbraw/zinc/87/89/19/347878919.db2.gz YTHXGHNTWLZKIM-DZGCQCFKSA-N 2 0 262.397 2.787 20 0 CFADRP CCSCC[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000132299309 347883658 /nfs/dbraw/zinc/88/36/58/347883658.db2.gz UPUCVUBBWVTIFW-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000156546265 347995158 /nfs/dbraw/zinc/99/51/58/347995158.db2.gz GIQCLXVLWJXOFC-SFHVURJKSA-N 2 0 293.499 2.857 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000154812428 347982544 /nfs/dbraw/zinc/98/25/44/347982544.db2.gz QDHJVMYIGJCWJX-ZFWWWQNUSA-N 2 0 270.486 2.982 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000154774184 347982837 /nfs/dbraw/zinc/98/28/37/347982837.db2.gz ZIUFMIWICOIBCV-ZFWWWQNUSA-N 2 0 270.486 2.982 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000215936038 348162891 /nfs/dbraw/zinc/16/28/91/348162891.db2.gz XEHZIPHQVOTIHZ-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(Br)c(Cl)c1 ZINC000234289482 348220613 /nfs/dbraw/zinc/22/06/13/348220613.db2.gz MKWNRDCHPWGWDC-UHFFFAOYSA-N 2 0 291.620 2.883 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000228496403 348195700 /nfs/dbraw/zinc/19/57/00/348195700.db2.gz WARTWCQEWCLGCG-YGRLFVJLSA-N 2 0 280.799 2.587 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229644792 348203061 /nfs/dbraw/zinc/20/30/61/348203061.db2.gz LGRJRCJPYLNTAZ-AWEZNQCLSA-N 2 0 257.381 2.599 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000248725160 348276431 /nfs/dbraw/zinc/27/64/31/348276431.db2.gz UNGREFLYCRHBRL-LRDDRELGSA-N 2 0 282.378 2.827 20 0 CFADRP CCCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000249875391 348285351 /nfs/dbraw/zinc/28/53/51/348285351.db2.gz IAIYCAJBKGIATB-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250512312 348287961 /nfs/dbraw/zinc/28/79/61/348287961.db2.gz PGECSAXUZSAMMY-YJBOKZPZSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1C ZINC000252121471 348294465 /nfs/dbraw/zinc/29/44/65/348294465.db2.gz JKVGAZDYKWUWGD-KGLIPLIRSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)C1CC[NH+](C)CC1 ZINC000130668924 539643360 /nfs/dbraw/zinc/64/33/60/539643360.db2.gz PCCNKWNUSNCROX-WBMJQRKESA-N 2 0 274.408 2.699 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400050024 348570621 /nfs/dbraw/zinc/57/06/21/348570621.db2.gz BKAGAESGMHNFDJ-WNZFAQLISA-N 2 0 250.430 2.743 20 0 CFADRP c1cnc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000589641324 348846195 /nfs/dbraw/zinc/84/61/95/348846195.db2.gz FKVVIGHYPVMROU-DLBZAZTESA-N 2 0 281.403 2.951 20 0 CFADRP CCc1nn(C)cc1C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000092353937 539676690 /nfs/dbraw/zinc/67/66/90/539676690.db2.gz UCIUHUILIPKUNE-CQSZACIVSA-N 2 0 280.460 2.583 20 0 CFADRP c1cnc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000589641326 348846793 /nfs/dbraw/zinc/84/67/93/348846793.db2.gz FKVVIGHYPVMROU-IAGOWNOFSA-N 2 0 281.403 2.951 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)CCC2CC2)cc1 ZINC000092067065 539671897 /nfs/dbraw/zinc/67/18/97/539671897.db2.gz STUVAJOIOHIQOI-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP c1ccc(NCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166643520 539673040 /nfs/dbraw/zinc/67/30/40/539673040.db2.gz VTXIZQIQPPWMGT-DLBZAZTESA-N 2 0 273.424 2.705 20 0 CFADRP CC(C)SCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000588926481 348803952 /nfs/dbraw/zinc/80/39/52/348803952.db2.gz ACQPLXLGODQEER-UHFFFAOYSA-N 2 0 296.480 2.858 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349231352 539689108 /nfs/dbraw/zinc/68/91/08/539689108.db2.gz AKGSPWPZVYFEQT-STQMWFEESA-N 2 0 292.383 2.834 20 0 CFADRP C[C@H](O)C1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000668699475 539702549 /nfs/dbraw/zinc/70/25/49/539702549.db2.gz PABGLYOWTXVPFZ-IJEWVQPXSA-N 2 0 280.456 2.533 20 0 CFADRP Fc1ccccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591082667 348985803 /nfs/dbraw/zinc/98/58/03/348985803.db2.gz IUUZJTRGEXIBPW-CQSZACIVSA-N 2 0 259.328 2.859 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C1CC[NH+](C)CC1 ZINC000127124623 539711607 /nfs/dbraw/zinc/71/16/07/539711607.db2.gz BNKXWSFIRTWPSS-HOCLYGCPSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@H+](CCSC)Cc1ccc(C[NH+](C)C)cc1 ZINC000592528788 349135875 /nfs/dbraw/zinc/13/58/75/349135875.db2.gz GEYIRCADUZZQDZ-UHFFFAOYSA-N 2 0 266.454 2.933 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000300248275 539726176 /nfs/dbraw/zinc/72/61/76/539726176.db2.gz BOAPDQCMXZMKSO-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP c1coc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000668731119 539726578 /nfs/dbraw/zinc/72/65/78/539726578.db2.gz XOBXGTQHHAUBNA-UHFFFAOYSA-N 2 0 285.391 2.866 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000397969202 539728623 /nfs/dbraw/zinc/72/86/23/539728623.db2.gz LXUOMJHAEDEODX-TZMCWYRMSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1C ZINC000414280389 233214398 /nfs/dbraw/zinc/21/43/98/233214398.db2.gz CZTUOZUBIVJJRX-GJZGRUSLSA-N 2 0 292.471 2.576 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000593321348 349247511 /nfs/dbraw/zinc/24/75/11/349247511.db2.gz IOLJIRHWJPHZCQ-NSHDSACASA-N 2 0 296.436 2.575 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccc(F)cc1 ZINC000128146608 539734558 /nfs/dbraw/zinc/73/45/58/539734558.db2.gz DKGRBFXGHVHJAO-KBPBESRZSA-N 2 0 294.414 2.913 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000090721822 180031085 /nfs/dbraw/zinc/03/10/85/180031085.db2.gz QLNCXBHZWDUABC-RISCZKNCSA-N 2 0 288.395 2.550 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000090721086 180031596 /nfs/dbraw/zinc/03/15/96/180031596.db2.gz KDSXIAFGSZPVMX-HIFRSBDPSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000090720492 180030884 /nfs/dbraw/zinc/03/08/84/180030884.db2.gz ALXUYVAAOFDZGQ-JSGCOSHPSA-N 2 0 257.381 2.740 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414663418 233318452 /nfs/dbraw/zinc/31/84/52/233318452.db2.gz SBLWCQGNMZUXJG-IWCQGFGOSA-N 2 0 258.409 2.849 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000252439581 539767112 /nfs/dbraw/zinc/76/71/12/539767112.db2.gz QFZQMUVPTPAIAY-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414666424 233319813 /nfs/dbraw/zinc/31/98/13/233319813.db2.gz GISSIZOKLVEJDY-JTQLQIEISA-N 2 0 298.333 2.567 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000414681254 233323392 /nfs/dbraw/zinc/32/33/92/233323392.db2.gz VPDMCVVITVFKOK-YPMHNXCESA-N 2 0 268.351 2.785 20 0 CFADRP COc1ccc([C@H]([NH2+]CCC[NH+](C)C)C(C)C)cc1 ZINC000091262475 180116396 /nfs/dbraw/zinc/11/63/96/180116396.db2.gz BHKYAQHCFZHRSZ-MRXNPFEDSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000414681253 233324071 /nfs/dbraw/zinc/32/40/71/233324071.db2.gz VPDMCVVITVFKOK-WCQYABFASA-N 2 0 268.351 2.785 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC[NH2+]1 ZINC000414699479 233331428 /nfs/dbraw/zinc/33/14/28/233331428.db2.gz UGPCORWFRGSSCB-PBHICJAKSA-N 2 0 288.435 2.992 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000414698642 233332090 /nfs/dbraw/zinc/33/20/90/233332090.db2.gz XPIDYSODQATQGY-CYBMUJFWSA-N 2 0 252.789 2.696 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)CC[NH2+]1 ZINC000414699165 233332315 /nfs/dbraw/zinc/33/23/15/233332315.db2.gz DKQNRGYAAMCGDN-HLPPOEQASA-N 2 0 294.464 2.898 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccsc3)C2)CC[NH2+]1 ZINC000414711933 233335293 /nfs/dbraw/zinc/33/52/93/233335293.db2.gz TWXNYIAFXFIMDC-IPYPFGDCSA-N 2 0 280.437 2.510 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3nccs3)CCCC2)CC[NH2+]1 ZINC000414717035 233337705 /nfs/dbraw/zinc/33/77/05/233337705.db2.gz ZALZXDPZYTWGNX-CHWSQXEVSA-N 2 0 279.453 2.890 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)CC[NH2+]1 ZINC000414742331 233340887 /nfs/dbraw/zinc/34/08/87/233340887.db2.gz LYOXTMHIOKAMEE-INMHGKMJSA-N 2 0 298.434 2.671 20 0 CFADRP Fc1ccc(/C=C\C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC000414763830 233345275 /nfs/dbraw/zinc/34/52/75/233345275.db2.gz COBPWRAYRNWQCV-WEXHZKPASA-N 2 0 292.373 2.909 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771897 233347517 /nfs/dbraw/zinc/34/75/17/233347517.db2.gz AQLGLGFWPFZPHQ-IRXDYDNUSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414777225 233348111 /nfs/dbraw/zinc/34/81/11/233348111.db2.gz OEZQTMPSMWKHAV-UHFFFAOYSA-N 2 0 272.314 2.935 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414777315 233349070 /nfs/dbraw/zinc/34/90/70/233349070.db2.gz HZSFALWWQVVJLW-SJORKVTESA-N 2 0 258.409 2.817 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414784810 233350784 /nfs/dbraw/zinc/35/07/84/233350784.db2.gz TVNZUEYVCIUEAW-LLVKDONJSA-N 2 0 286.341 2.978 20 0 CFADRP c1sc(C2CC2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784265 233351254 /nfs/dbraw/zinc/35/12/54/233351254.db2.gz RBFQIYXSPMRULX-UONOGXRCSA-N 2 0 291.464 2.842 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789010 233352508 /nfs/dbraw/zinc/35/25/08/233352508.db2.gz XQTDPCWOXFTNBR-HZPDHXFCSA-N 2 0 290.455 2.594 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414794436 233353519 /nfs/dbraw/zinc/35/35/19/233353519.db2.gz FQIYFRVNRNESAU-XJNRFOTBSA-N 2 0 262.372 2.946 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414847052 233376271 /nfs/dbraw/zinc/37/62/71/233376271.db2.gz NXSFLAMGOJDOCB-JYJNAYRXSA-N 2 0 262.372 2.803 20 0 CFADRP Cc1ccc(F)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414805949 233358592 /nfs/dbraw/zinc/35/85/92/233358592.db2.gz PZIKUAUYBJIWSS-WFASDCNBSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000414807902 233359860 /nfs/dbraw/zinc/35/98/60/233359860.db2.gz RRRCLXVOSMDHRY-HIFRSBDPSA-N 2 0 250.361 2.741 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000105480733 186061345 /nfs/dbraw/zinc/06/13/45/186061345.db2.gz FEZWCELYTJWZTC-ZFWWWQNUSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414810419 233360906 /nfs/dbraw/zinc/36/09/06/233360906.db2.gz NWDKFBZXKDGONO-ZDUSSCGKSA-N 2 0 294.402 2.952 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414818463 233364488 /nfs/dbraw/zinc/36/44/88/233364488.db2.gz FBFUXFDUXHXCFR-UMVBOHGHSA-N 2 0 264.388 2.734 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000414825050 233367411 /nfs/dbraw/zinc/36/74/11/233367411.db2.gz RWEIHEVDHSAJGF-CMPLNLGQSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828667 233368975 /nfs/dbraw/zinc/36/89/75/233368975.db2.gz JFCYABNMSAKICC-GHMZBOCLSA-N 2 0 252.324 2.697 20 0 CFADRP Cc1cc(F)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414828699 233369221 /nfs/dbraw/zinc/36/92/21/233369221.db2.gz JIKCJGAVEIQRTE-NSHDSACASA-N 2 0 270.779 2.877 20 0 CFADRP c1cc(-c2ncc(C[NH2+]C[C@@H]3CCC[NH2+]C3)s2)cs1 ZINC000414829106 233369682 /nfs/dbraw/zinc/36/96/82/233369682.db2.gz NCFUMRUITDYUNM-LLVKDONJSA-N 2 0 293.461 2.961 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000414828792 233369703 /nfs/dbraw/zinc/36/97/03/233369703.db2.gz MXCRTECAEXOVQZ-CYBMUJFWSA-N 2 0 252.789 2.738 20 0 CFADRP FC(F)[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414831701 233370612 /nfs/dbraw/zinc/37/06/12/233370612.db2.gz NOQQOYNHTDDWMP-CABCVRRESA-N 2 0 282.378 2.842 20 0 CFADRP FC(F)[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414831705 233370708 /nfs/dbraw/zinc/37/07/08/233370708.db2.gz NOQQOYNHTDDWMP-HUUCEWRRSA-N 2 0 282.378 2.842 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000414841114 233374285 /nfs/dbraw/zinc/37/42/85/233374285.db2.gz YWTDUPWWXQLAPL-NXNVCVFFSA-N 2 0 258.409 2.768 20 0 CFADRP c1ccc(CSCC[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414843478 233374649 /nfs/dbraw/zinc/37/46/49/233374649.db2.gz CBJVPJVIBBLDHZ-HNNXBMFYSA-N 2 0 264.438 2.509 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414844358 233375905 /nfs/dbraw/zinc/37/59/05/233375905.db2.gz CTYUILDVDIWVDH-DOTOQJQBSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000414877366 233387126 /nfs/dbraw/zinc/38/71/26/233387126.db2.gz MRQXHAAXHSVJBP-NSHDSACASA-N 2 0 252.789 2.742 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH3+])sc1Br ZINC000414880545 233387478 /nfs/dbraw/zinc/38/74/78/233387478.db2.gz RBAPVHNJWDFPQF-ZETCQYMHSA-N 2 0 277.231 2.503 20 0 CFADRP C[C@H]1C[C@@H](NCC2([NH3+])CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414882768 233387710 /nfs/dbraw/zinc/38/77/10/233387710.db2.gz UHUIETOGEGMOLG-RDJZCZTQSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C1 ZINC000414885062 233388844 /nfs/dbraw/zinc/38/88/44/233388844.db2.gz GAHYXHSHJHGQFJ-ULQDDVLXSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414884659 233389715 /nfs/dbraw/zinc/38/97/15/233389715.db2.gz VZMGAIFUBJFXRJ-MNOVXSKESA-N 2 0 274.330 2.821 20 0 CFADRP [NH3+][C@H](C[NH2+]CCCCCOc1ccccc1)C1CC1 ZINC000414889755 233390033 /nfs/dbraw/zinc/39/00/33/233390033.db2.gz LRNJSKJYEKSOQQ-MRXNPFEDSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000414892448 233390456 /nfs/dbraw/zinc/39/04/56/233390456.db2.gz PWFWOLDFDHLSGF-GVDBMIGSSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@H](C[NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000414892459 233390526 /nfs/dbraw/zinc/39/05/26/233390526.db2.gz PWRMTSUPNYZDIQ-YGRLFVJLSA-N 2 0 252.789 2.770 20 0 CFADRP C[C@]1(C[NH2+]Cc2coc3ccccc23)CCC[NH2+]C1 ZINC000414899192 233392885 /nfs/dbraw/zinc/39/28/85/233392885.db2.gz HCNJNQFBBSXATL-INIZCTEOSA-N 2 0 258.365 2.912 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000414901277 233393622 /nfs/dbraw/zinc/39/36/22/233393622.db2.gz FXOVDANZQUBOBC-UKRRQHHQSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cc(Cl)cs2)CCC[NH2+]C1 ZINC000414901982 233394439 /nfs/dbraw/zinc/39/44/39/233394439.db2.gz GSKMKGJHUQAHMC-GFCCVEGCSA-N 2 0 258.818 2.881 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000414907300 233395161 /nfs/dbraw/zinc/39/51/61/233395161.db2.gz QGRJQTJISUBEFC-CQSZACIVSA-N 2 0 297.240 2.928 20 0 CFADRP CCN(CC)C[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442762832 539786227 /nfs/dbraw/zinc/78/62/27/539786227.db2.gz FVFXQBYXHBLBEG-KGLIPLIRSA-N 2 0 285.435 2.955 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000414855404 233379520 /nfs/dbraw/zinc/37/95/20/233379520.db2.gz WFGQNRIDPSVOSH-SQNIBIBYSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414858548 233380079 /nfs/dbraw/zinc/38/00/79/233380079.db2.gz RXPVXIFFYAFZKL-WCQYABFASA-N 2 0 297.240 2.927 20 0 CFADRP CSC1(C[NH2+]Cc2ccncc2Cl)CC[NH+](C)CC1 ZINC000598974144 350352486 /nfs/dbraw/zinc/35/24/86/350352486.db2.gz NPOVEJOSSLTVMY-UHFFFAOYSA-N 2 0 299.871 2.652 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000415001042 233430162 /nfs/dbraw/zinc/43/01/62/233430162.db2.gz UMJIBDAYCMVOMJ-CZUORRHYSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000415004263 233432150 /nfs/dbraw/zinc/43/21/50/233432150.db2.gz HHCXHTDNHAECNQ-UHOFOFEASA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000415039306 233444094 /nfs/dbraw/zinc/44/40/94/233444094.db2.gz NVSORMLBSXGARI-ZYHUDNBSSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000415032642 233442251 /nfs/dbraw/zinc/44/22/51/233442251.db2.gz IAYMTBURBHFBIW-WPRPVWTQSA-N 2 0 289.242 2.728 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]CC2CC[NH2+]CC2)n1 ZINC000415091843 233464962 /nfs/dbraw/zinc/46/49/62/233464962.db2.gz RIEHVDSLQVPARF-UHFFFAOYSA-N 2 0 298.434 2.578 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)c2ccccc2n1 ZINC000092349394 180366942 /nfs/dbraw/zinc/36/69/42/180366942.db2.gz HQDXAUDQIZNDFS-UHFFFAOYSA-N 2 0 269.392 2.727 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000336208553 282713581 /nfs/dbraw/zinc/71/35/81/282713581.db2.gz SLFAHDIFVZXUBR-HNNXBMFYSA-N 2 0 280.456 2.536 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110645400 186309026 /nfs/dbraw/zinc/30/90/26/186309026.db2.gz SYGNUSIACYKEHH-GFCCVEGCSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000110978859 186338617 /nfs/dbraw/zinc/33/86/17/186338617.db2.gz VPWLSUSWDFFHHS-GFCCVEGCSA-N 2 0 250.361 2.693 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@H]1CCCOC1)C1CCCCC1 ZINC000111320229 186397754 /nfs/dbraw/zinc/39/77/54/186397754.db2.gz SZFGHIHEQABRQJ-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3(C(C)C)CC3)C2)CC1 ZINC000602483484 350901913 /nfs/dbraw/zinc/90/19/13/350901913.db2.gz LQBVXIWLJVLUKD-QGZVFWFLSA-N 2 0 293.499 2.523 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)nc1 ZINC000271426157 191130913 /nfs/dbraw/zinc/13/09/13/191130913.db2.gz VTXIKSDKRVZXOO-LLVKDONJSA-N 2 0 255.793 2.727 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000607151839 351319428 /nfs/dbraw/zinc/31/94/28/351319428.db2.gz QVVAJDTXBZDVND-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000607957064 351382895 /nfs/dbraw/zinc/38/28/95/351382895.db2.gz ZVQQHJQBWAZRJW-BBRMVZONSA-N 2 0 271.408 2.988 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cccnc3c2)CC[N@@H+]1C ZINC000608061476 351392807 /nfs/dbraw/zinc/39/28/07/351392807.db2.gz VZVFJNZGRQAWRW-CZUORRHYSA-N 2 0 269.392 2.807 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000608067445 351394711 /nfs/dbraw/zinc/39/47/11/351394711.db2.gz CLNWNDSEWKLKIZ-GDBMZVCRSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccncc2)CC1 ZINC000607753532 351359418 /nfs/dbraw/zinc/35/94/18/351359418.db2.gz IJRGZDKLMHQECG-UHFFFAOYSA-N 2 0 261.413 2.634 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1c(C)nn(C)c1C ZINC000133836594 539818398 /nfs/dbraw/zinc/81/83/98/539818398.db2.gz UDVBZAABEYZKFS-MLGOLLRUSA-N 2 0 292.471 2.808 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1c(C)nn(C)c1C ZINC000133836001 539818688 /nfs/dbraw/zinc/81/86/88/539818688.db2.gz UDVBZAABEYZKFS-LRDDRELGSA-N 2 0 292.471 2.808 20 0 CFADRP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000611367241 351675637 /nfs/dbraw/zinc/67/56/37/351675637.db2.gz WSKLHMKJJHARTG-LSDHHAIUSA-N 2 0 296.455 2.715 20 0 CFADRP Cc1cccc(CC[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000565536363 290308166 /nfs/dbraw/zinc/30/81/66/290308166.db2.gz FDLIRHBQODVTAT-UHFFFAOYSA-N 2 0 275.440 2.596 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000121866952 187001388 /nfs/dbraw/zinc/00/13/88/187001388.db2.gz GOFWOHLLBHSMET-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000123088871 187070602 /nfs/dbraw/zinc/07/06/02/187070602.db2.gz KNPXNPSZNCRUCH-AWEZNQCLSA-N 2 0 276.424 2.786 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000123588250 187100137 /nfs/dbraw/zinc/10/01/37/187100137.db2.gz IFIPQRDPYISGBT-CQSZACIVSA-N 2 0 286.423 2.815 20 0 CFADRP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000123977847 187116863 /nfs/dbraw/zinc/11/68/63/187116863.db2.gz HWAWKNSEDLPTMJ-SWLSCSKDSA-N 2 0 260.381 2.731 20 0 CFADRP CC(C)C1CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000310665590 539829190 /nfs/dbraw/zinc/82/91/90/539829190.db2.gz FYRNDDGQCNMNCH-QDIHITRGSA-N 2 0 250.430 2.600 20 0 CFADRP Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000291990582 198128015 /nfs/dbraw/zinc/12/80/15/198128015.db2.gz BCGPOKQWUJGZQM-OAHLLOKOSA-N 2 0 289.423 2.527 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000397239031 539841441 /nfs/dbraw/zinc/84/14/41/539841441.db2.gz KLYYCJFNYLVTGX-VYDXJSESSA-N 2 0 276.424 2.508 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000093442977 539901103 /nfs/dbraw/zinc/90/11/03/539901103.db2.gz IPOPKHRDSQJBGX-CALCHBBNSA-N 2 0 288.435 2.859 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCOCc3ccccc3)C2)C1 ZINC000292138388 198178174 /nfs/dbraw/zinc/17/81/74/198178174.db2.gz MFOJKNITCHIHIU-GOSISDBHSA-N 2 0 288.435 2.621 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357921 539948913 /nfs/dbraw/zinc/94/89/13/539948913.db2.gz UJTKUBINYKSONR-CQSZACIVSA-N 2 0 258.409 2.995 20 0 CFADRP CC[C@@H](COC)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152861331 188049578 /nfs/dbraw/zinc/04/95/78/188049578.db2.gz MWKJUEUCMCUSKQ-ZBFHGGJFSA-N 2 0 294.439 2.703 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000153724314 188099795 /nfs/dbraw/zinc/09/97/95/188099795.db2.gz FLJXZPBVNQYUDG-ZDUSSCGKSA-N 2 0 270.442 2.675 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000156421088 188261995 /nfs/dbraw/zinc/26/19/95/188261995.db2.gz NRKTUWXXKLROGL-CQSZACIVSA-N 2 0 269.392 2.994 20 0 CFADRP CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C)s1 ZINC000621331165 353326162 /nfs/dbraw/zinc/32/61/62/353326162.db2.gz TUIBABADADFZAR-LBPRGKRZSA-N 2 0 252.427 2.884 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000621781635 353424025 /nfs/dbraw/zinc/42/40/25/353424025.db2.gz HBMXNFZSFLNEPK-WQVCFCJDSA-N 2 0 260.356 2.626 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000622043863 353468566 /nfs/dbraw/zinc/46/85/66/353468566.db2.gz NYZSJCZZRAJTFU-ONGXEEELSA-N 2 0 269.339 2.545 20 0 CFADRP Cn1cncc1CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000623086010 353585201 /nfs/dbraw/zinc/58/52/01/353585201.db2.gz SGAKSGBAZBRRLQ-UHFFFAOYSA-N 2 0 289.326 2.833 20 0 CFADRP Cc1cc(C[NH2+]CCCN(C)CC[NH+](C)C)ccc1Cl ZINC000623088003 353585731 /nfs/dbraw/zinc/58/57/31/353585731.db2.gz SBGIXGMWOJKTIN-UHFFFAOYSA-N 2 0 297.874 2.622 20 0 CFADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000623357554 353624049 /nfs/dbraw/zinc/62/40/49/353624049.db2.gz VDIDEGWZMZVMCB-OWCLPIDISA-N 2 0 281.488 2.569 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)ccn1 ZINC000623358656 353624825 /nfs/dbraw/zinc/62/48/25/353624825.db2.gz LTTWCIGJDWHUTQ-UHFFFAOYSA-N 2 0 275.440 2.992 20 0 CFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623374661 353628932 /nfs/dbraw/zinc/62/89/32/353628932.db2.gz KGNWMDGXVKSFCT-TWMKSMIVSA-N 2 0 295.515 2.815 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623401566 353635020 /nfs/dbraw/zinc/63/50/20/353635020.db2.gz DVJMRAIEKAUAPY-HNNXBMFYSA-N 2 0 275.440 2.715 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623404218 353635458 /nfs/dbraw/zinc/63/54/58/353635458.db2.gz UWBGFPVGBCSTGR-JKSUJKDBSA-N 3 0 281.488 2.569 20 0 CFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623409545 353636424 /nfs/dbraw/zinc/63/64/24/353636424.db2.gz GPWFELBWKFGOII-BZUAXINKSA-N 2 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)CC1(C)C ZINC000623408175 353636883 /nfs/dbraw/zinc/63/68/83/353636883.db2.gz LXRWPFIDVHIBSL-ZDUSSCGKSA-N 2 0 298.377 2.806 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000623410863 353637380 /nfs/dbraw/zinc/63/73/80/353637380.db2.gz IYQWUFDIZKJCRK-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623410856 353637423 /nfs/dbraw/zinc/63/74/23/353637423.db2.gz IQDBDAKBQWKDKP-ZDUSSCGKSA-N 2 0 281.469 2.765 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C12CCC2 ZINC000623430197 353642180 /nfs/dbraw/zinc/64/21/80/353642180.db2.gz GCQHQJRQCSOCDP-QLFBSQMISA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623482168 353653514 /nfs/dbraw/zinc/65/35/14/353653514.db2.gz DZVXVMDNZUKMAW-ILXRZTDVSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCCS2)CC1(C)C ZINC000623445768 353647184 /nfs/dbraw/zinc/64/71/84/353647184.db2.gz CTBIJZYBDYCIHN-OCCSQVGLSA-N 2 0 256.459 2.735 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1(C)C ZINC000623453213 353648751 /nfs/dbraw/zinc/64/87/51/353648751.db2.gz CYYMWMVPKNVVRS-HUUCEWRRSA-N 2 0 280.456 2.941 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623347285 353620070 /nfs/dbraw/zinc/62/00/70/353620070.db2.gz WNSQRICGJCBDLG-HUUCEWRRSA-N 2 0 295.496 2.813 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1(C)C ZINC000623526639 353663818 /nfs/dbraw/zinc/66/38/18/353663818.db2.gz LDNCBQYBXMQVFZ-GJZGRUSLSA-N 2 0 292.398 2.592 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623536476 353666903 /nfs/dbraw/zinc/66/69/03/353666903.db2.gz WTIHAQGOODCBTF-SJORKVTESA-N 2 0 290.451 2.707 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)CC1(C)C ZINC000623552528 353669720 /nfs/dbraw/zinc/66/97/20/353669720.db2.gz JWWPLRPSFDOLBJ-KBPBESRZSA-N 2 0 282.497 2.982 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623655445 353696528 /nfs/dbraw/zinc/69/65/28/353696528.db2.gz XWGPBINAKPBXFN-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC1(C)C ZINC000623572453 353675103 /nfs/dbraw/zinc/67/51/03/353675103.db2.gz ATXVGGGYLFXTMS-AWEZNQCLSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2cc(F)ccc2F)C1 ZINC000623656556 353697255 /nfs/dbraw/zinc/69/72/55/353697255.db2.gz WWSVIGZUMOPEBJ-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623490734 353655848 /nfs/dbraw/zinc/65/58/48/353655848.db2.gz VODJBRILMNTLMR-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623657281 353697988 /nfs/dbraw/zinc/69/79/88/353697988.db2.gz MQSAAYQRLJAIIP-XRGAULLZSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000623989899 353777469 /nfs/dbraw/zinc/77/74/69/353777469.db2.gz LWCCZFLLNHSDBH-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCCO1 ZINC000623852878 353740469 /nfs/dbraw/zinc/74/04/69/353740469.db2.gz DPNMJNXJFSNACV-JYJNAYRXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCCCO1 ZINC000623853717 353741099 /nfs/dbraw/zinc/74/10/99/353741099.db2.gz FLLLUKUQPMLPEI-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000624188868 353829654 /nfs/dbraw/zinc/82/96/54/353829654.db2.gz JRICIVUDUFQEJY-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP CCSc1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000624336007 353864852 /nfs/dbraw/zinc/86/48/52/353864852.db2.gz FVORNVSQGCWXBZ-ZFWWWQNUSA-N 2 0 294.464 2.516 20 0 CFADRP c1nn2ccccc2c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000293143444 198539864 /nfs/dbraw/zinc/53/98/64/198539864.db2.gz UJOFUGGPKWFHSL-UHFFFAOYSA-N 2 0 286.423 2.690 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000624298590 353856371 /nfs/dbraw/zinc/85/63/71/353856371.db2.gz VLAQRTWUVRQOJV-DZUCGIPZSA-N 2 0 280.456 2.797 20 0 CFADRP CCO[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000625081648 353974909 /nfs/dbraw/zinc/97/49/09/353974909.db2.gz COUQVQFNEVTMGA-KRWDZBQOSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC000625723832 354095243 /nfs/dbraw/zinc/09/52/43/354095243.db2.gz WBICARKUBJYXAF-CQSZACIVSA-N 2 0 270.461 2.588 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423012438 293667866 /nfs/dbraw/zinc/66/78/66/293667866.db2.gz DAFMTIRQCAQYPB-ZJIFWQFVSA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000165976908 188634192 /nfs/dbraw/zinc/63/41/92/188634192.db2.gz OHPNNJYLZRHFKS-ZVZYQTTQSA-N 2 0 290.451 2.866 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423444879 283020915 /nfs/dbraw/zinc/02/09/15/283020915.db2.gz RMBFGJJDQYVEQW-USXIJHARSA-N 2 0 274.383 2.791 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000352791138 291030791 /nfs/dbraw/zinc/03/07/91/291030791.db2.gz HEIUGOCZHVRHND-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000628175489 354460575 /nfs/dbraw/zinc/46/05/75/354460575.db2.gz ZCSNLBJTLDMSFG-IAGOWNOFSA-N 2 0 296.499 2.981 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000628186266 354466255 /nfs/dbraw/zinc/46/62/55/354466255.db2.gz DMYPNRXEAKNHHY-HZPDHXFCSA-N 2 0 282.497 2.936 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628323177 354546406 /nfs/dbraw/zinc/54/64/06/354546406.db2.gz FQQCTEBUBCGHPT-GFCCVEGCSA-N 2 0 262.388 2.988 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000628279008 354516200 /nfs/dbraw/zinc/51/62/00/354516200.db2.gz PYDCUHDGNNALOQ-QZTJIDSGSA-N 2 0 295.515 2.772 20 0 CFADRP C[C@]1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCCS1 ZINC000628352626 354561465 /nfs/dbraw/zinc/56/14/65/354561465.db2.gz OQGGZQLVNCEVKD-MRXNPFEDSA-N 2 0 282.497 2.984 20 0 CFADRP CCC1(N2CCOCC2)CC[NH+](Cc2occc2C)CC1 ZINC000628476106 354599366 /nfs/dbraw/zinc/59/93/66/354599366.db2.gz DKTFLVQHQIDZJL-UHFFFAOYSA-N 2 0 292.423 2.665 20 0 CFADRP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387722 354799235 /nfs/dbraw/zinc/79/92/35/354799235.db2.gz JKYVMGWOIBAVFA-UONOGXRCSA-N 2 0 256.434 2.545 20 0 CFADRP CC(C)CC(CC(C)C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388784 354799283 /nfs/dbraw/zinc/79/92/83/354799283.db2.gz WAGRUSLDWWCJDI-UHFFFAOYSA-N 2 0 256.434 2.545 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000629389273 354799296 /nfs/dbraw/zinc/79/92/96/354799296.db2.gz UFJCQQCYNRVJBB-BHYGNILZSA-N 2 0 260.425 2.985 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C[C@H]1C ZINC000629389567 354800099 /nfs/dbraw/zinc/80/00/99/354800099.db2.gz OEHJKQVRWVDBIT-KFWWJZLASA-N 2 0 268.445 2.545 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000629389823 354800331 /nfs/dbraw/zinc/80/03/31/354800331.db2.gz AWDYMQYEKSBMJO-NRSFXHEJSA-N 2 0 287.451 2.552 20 0 CFADRP CCC(C)(C)C1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629398472 354802833 /nfs/dbraw/zinc/80/28/33/354802833.db2.gz UDYRRFCXZODUMJ-UHFFFAOYSA-N 2 0 270.461 2.936 20 0 CFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000629398256 354803039 /nfs/dbraw/zinc/80/30/39/354803039.db2.gz PTOKSNGZXRAZCF-UHFFFAOYSA-N 2 0 284.403 2.809 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000629399645 354803187 /nfs/dbraw/zinc/80/31/87/354803187.db2.gz JFZLQEFUQABCJD-JKSUJKDBSA-N 2 0 296.842 2.931 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000629405834 354803771 /nfs/dbraw/zinc/80/37/71/354803771.db2.gz UQXWRIFNTOBGED-HZPDHXFCSA-N 2 0 296.842 2.802 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000629402843 354804383 /nfs/dbraw/zinc/80/43/83/354804383.db2.gz FVNHFQVEBNEACD-ZWKOTPCHSA-N 2 0 290.451 2.929 20 0 CFADRP CCO[C@@H](C[N@H+](CCC[NH3+])CC1CCCC1)C1CC1 ZINC000629531280 354834055 /nfs/dbraw/zinc/83/40/55/354834055.db2.gz GMOAEGBZYDNDGJ-INIZCTEOSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532198 354834076 /nfs/dbraw/zinc/83/40/76/354834076.db2.gz QPVZLRZNLQXKTH-DOTOQJQBSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000629519673 354826919 /nfs/dbraw/zinc/82/69/19/354826919.db2.gz GYSDUNZRGZGVEM-DZGCQCFKSA-N 2 0 269.392 2.712 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519933 354826978 /nfs/dbraw/zinc/82/69/78/354826978.db2.gz IYLNNOKFSJJECX-GJZGRUSLSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629522004 354828017 /nfs/dbraw/zinc/82/80/17/354828017.db2.gz VDTNKKOFYSEAQJ-INIZCTEOSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000629521929 354828034 /nfs/dbraw/zinc/82/80/34/354828034.db2.gz YOUCNVPUIPPHAH-GXTWGEPZSA-N 2 0 261.413 2.683 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000629530643 354834141 /nfs/dbraw/zinc/83/41/41/354834141.db2.gz MJMJKTKAIFQBAV-HNNXBMFYSA-N 2 0 294.464 2.666 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522363 354828764 /nfs/dbraw/zinc/82/87/64/354828764.db2.gz YEBDWQMHVOLIKM-BBRMVZONSA-N 2 0 274.408 2.723 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000629522708 354828831 /nfs/dbraw/zinc/82/88/31/354828831.db2.gz GXXFFSYMQZDELR-ARFHVFGLSA-N 2 0 270.461 2.684 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000629522525 354828934 /nfs/dbraw/zinc/82/89/34/354828934.db2.gz CEIRYTCCLYIOGE-OWCLPIDISA-N 2 0 287.451 2.645 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629522645 354828939 /nfs/dbraw/zinc/82/89/39/354828939.db2.gz FTURIYJDSCKPHC-UHOFOFEASA-N 2 0 262.397 2.518 20 0 CFADRP CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629523211 354828965 /nfs/dbraw/zinc/82/89/65/354828965.db2.gz BOVXDYUFSZQBJI-OAHLLOKOSA-N 2 0 262.397 2.625 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000629524129 354830176 /nfs/dbraw/zinc/83/01/76/354830176.db2.gz LYYZOUGMEHJJSW-CWJHNBGESA-N 2 0 292.467 2.689 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000629528747 354831511 /nfs/dbraw/zinc/83/15/11/354831511.db2.gz IIJSIWZCARFEFN-CQSZACIVSA-N 2 0 288.391 2.833 20 0 CFADRP CCN(CC[NH3+])Cc1ccc(OC(F)F)c(Cl)c1 ZINC000629656021 354879605 /nfs/dbraw/zinc/87/96/05/354879605.db2.gz ZMSMLQYKLDCIGN-UHFFFAOYSA-N 2 0 278.730 2.722 20 0 CFADRP COC1(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCCC1 ZINC000629649939 354876452 /nfs/dbraw/zinc/87/64/52/354876452.db2.gz LTPYSCSIOYMMPZ-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000629536869 354835963 /nfs/dbraw/zinc/83/59/63/354835963.db2.gz JHZCVOCCTOCBBJ-ARFHVFGLSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc2ccccc2s1 ZINC000629537244 354836800 /nfs/dbraw/zinc/83/68/00/354836800.db2.gz JHTLGOKQKVZURV-GFCCVEGCSA-N 2 0 278.421 2.917 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000629537821 354837033 /nfs/dbraw/zinc/83/70/33/354837033.db2.gz KXCXQIUWDAOPHC-QGZVFWFLSA-N 2 0 276.424 2.873 20 0 CFADRP c1ccc2c(c1)C=C(C[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)CO2 ZINC000629654513 354878149 /nfs/dbraw/zinc/87/81/49/354878149.db2.gz QGPLKYKOTXEXNX-SFHVURJKSA-N 2 0 298.430 2.784 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)cc1 ZINC000629547059 354842455 /nfs/dbraw/zinc/84/24/55/354842455.db2.gz FPYFEAVOYXFLAY-XKQJLSEDSA-N 2 0 258.409 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000629546815 354842610 /nfs/dbraw/zinc/84/26/10/354842610.db2.gz IBRORMITBLUNDL-BONVTDFDSA-N 2 0 264.800 2.915 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629551758 354845817 /nfs/dbraw/zinc/84/58/17/354845817.db2.gz XBPJKRFNRFDKJD-SJORKVTESA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551935 354846079 /nfs/dbraw/zinc/84/60/79/354846079.db2.gz YBANZKNWODAYKA-NXEZZACHSA-N 2 0 278.343 2.984 20 0 CFADRP CCc1oc2ccccc2c1C[N@H+](C)CCOCC[NH2+]C ZINC000629653032 354878463 /nfs/dbraw/zinc/87/84/63/354878463.db2.gz KSBCIOSMVJNKDK-UHFFFAOYSA-N 2 0 290.407 2.663 20 0 CFADRP CC1(C)CC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629565620 354849241 /nfs/dbraw/zinc/84/92/41/354849241.db2.gz WOKBLCCTEGQALJ-NWDGAFQWSA-N 2 0 278.362 2.882 20 0 CFADRP Oc1cccc2c1CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000629582284 354850080 /nfs/dbraw/zinc/85/00/80/354850080.db2.gz RCZBNMIKONZAAK-UHFFFAOYSA-N 2 0 274.408 2.530 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)CO2 ZINC000629652877 354878639 /nfs/dbraw/zinc/87/86/39/354878639.db2.gz FEGGPBNYFFNHLN-ROUUACIJSA-N 2 0 298.430 2.784 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000629584271 354851545 /nfs/dbraw/zinc/85/15/45/354851545.db2.gz NSGGWCQTSRYWDF-CALCHBBNSA-N 2 0 292.398 2.526 20 0 CFADRP Cc1cnccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629698742 354899625 /nfs/dbraw/zinc/89/96/25/354899625.db2.gz YQGKBIHLNPYWRF-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP Cc1cncc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC000629735328 354914988 /nfs/dbraw/zinc/91/49/88/354914988.db2.gz RKZQAXAJURHNIG-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP CC(C)(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657372 354880647 /nfs/dbraw/zinc/88/06/47/354880647.db2.gz XAMOVCFCMAHESI-GHMZBOCLSA-N 2 0 266.351 2.882 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1OC ZINC000271833482 191355889 /nfs/dbraw/zinc/35/58/89/191355889.db2.gz FNALBSQPHSFGCI-CYBMUJFWSA-N 2 0 290.407 2.616 20 0 CFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000271838847 191359934 /nfs/dbraw/zinc/35/99/34/191359934.db2.gz GAKMHMWQKIUBNC-IUODEOHRSA-N 2 0 260.381 2.755 20 0 CFADRP Cc1scc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000631040205 355261436 /nfs/dbraw/zinc/26/14/36/355261436.db2.gz QSRNJUQDUOTHPJ-ZDUSSCGKSA-N 2 0 264.438 2.939 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)on1 ZINC000631043479 355262001 /nfs/dbraw/zinc/26/20/01/355262001.db2.gz XVNAAZVNBJJVFT-AWEZNQCLSA-N 2 0 265.401 2.727 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000271871968 191380278 /nfs/dbraw/zinc/38/02/78/191380278.db2.gz XYJIARXZAIXIOP-UHFFFAOYSA-N 2 0 286.419 2.752 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2ccnn2CC2CCC2)C1 ZINC000631180146 355334708 /nfs/dbraw/zinc/33/47/08/355334708.db2.gz CUNOKMCKHUADLP-MRXNPFEDSA-N 2 0 290.455 2.505 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000669417496 540144318 /nfs/dbraw/zinc/14/43/18/540144318.db2.gz PDJDFDVYIBSTIB-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195889 355343172 /nfs/dbraw/zinc/34/31/72/355343172.db2.gz LHHSUHJOWLXJJP-KBXCAEBGSA-N 2 0 298.434 2.576 20 0 CFADRP C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000669430040 540150036 /nfs/dbraw/zinc/15/00/36/540150036.db2.gz KRWNPPBGOPEVEL-WMLDXEAASA-N 2 0 282.472 2.638 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000631568331 355491311 /nfs/dbraw/zinc/49/13/11/355491311.db2.gz ALZHCGYBSYEUEQ-OKZBNKHCSA-N 2 0 286.419 2.899 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000631565526 355489918 /nfs/dbraw/zinc/48/99/18/355489918.db2.gz GEXHFULFCXECGZ-SCLBCKFNSA-N 2 0 286.419 2.756 20 0 CFADRP c1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000631565428 355490365 /nfs/dbraw/zinc/49/03/65/355490365.db2.gz FPNUVCWOOVWYEB-GUYCJALGSA-N 2 0 271.408 2.533 20 0 CFADRP Fc1cccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890647 355615651 /nfs/dbraw/zinc/61/56/51/355615651.db2.gz RAGSWHWGXOCNJI-DOTOQJQBSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000631821706 355595668 /nfs/dbraw/zinc/59/56/68/355595668.db2.gz GQPOZDFBGJTXDI-DZGCQCFKSA-N 2 0 261.413 2.566 20 0 CFADRP Fc1ccccc1OC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000631835501 355599163 /nfs/dbraw/zinc/59/91/63/355599163.db2.gz AUXURFFGXNVNFA-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP C(C1CC[NH2+]CC1)[NH+]1CCC2(CCSCC2)CC1 ZINC000631836621 355599882 /nfs/dbraw/zinc/59/98/82/355599882.db2.gz CPOQPMDUUGUBRA-UHFFFAOYSA-N 2 0 268.470 2.595 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631837096 355599922 /nfs/dbraw/zinc/59/99/22/355599922.db2.gz MUBWVVQDILZCTJ-ZYHUDNBSSA-N 2 0 288.313 2.612 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C[NH3+] ZINC000631840732 355602814 /nfs/dbraw/zinc/60/28/14/355602814.db2.gz VBBNRUYFIAIEQY-BXUZGUMPSA-N 2 0 289.810 2.915 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000631731139 355568192 /nfs/dbraw/zinc/56/81/92/355568192.db2.gz HYKAXGUWCJQVHU-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP c1ccc(SCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887393 355614245 /nfs/dbraw/zinc/61/42/45/355614245.db2.gz NFHGFANXHBKRCK-ZBFHGGJFSA-N 2 0 276.449 2.853 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887209 355614844 /nfs/dbraw/zinc/61/48/44/355614844.db2.gz PBDPCNCSJYMVDF-RDJZCZTQSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+]C[C@H]1Cc2ccccc2N(CCC[NH+]2CCCCC2)C1 ZINC000631893841 355616971 /nfs/dbraw/zinc/61/69/71/355616971.db2.gz CHKBLCMMJYTFCL-MRXNPFEDSA-N 2 0 287.451 2.500 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000334878721 540195051 /nfs/dbraw/zinc/19/50/51/540195051.db2.gz IQONSSGJTJLPJE-OCCSQVGLSA-N 2 0 268.470 2.877 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H]2CCC[C@H]21 ZINC000353403293 283138949 /nfs/dbraw/zinc/13/89/49/283138949.db2.gz KGIWMLSECXSNHV-XQLPTFJDSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000334878719 291082895 /nfs/dbraw/zinc/08/28/95/291082895.db2.gz IQONSSGJTJLPJE-GXTWGEPZSA-N 2 0 268.470 2.877 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000453069480 540225320 /nfs/dbraw/zinc/22/53/20/540225320.db2.gz BTVSOWAVWPKRIZ-CVEARBPZSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](CC[NH+](C)C)OCC)c1cccnc1 ZINC000273575678 192211160 /nfs/dbraw/zinc/21/11/60/192211160.db2.gz LSYIOCQTVCTOIT-DLBZAZTESA-N 2 0 293.455 2.869 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)CC[N@@H+]1C ZINC000299995633 540230602 /nfs/dbraw/zinc/23/06/02/540230602.db2.gz NBGKHLQFQBAXTB-QLFBSQMISA-N 2 0 266.429 2.551 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)C[C@@H]21 ZINC000231469187 540234152 /nfs/dbraw/zinc/23/41/52/540234152.db2.gz WEOPBDQZSAAOAY-YQFWSFKMSA-N 2 0 286.419 2.612 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423125602 283187519 /nfs/dbraw/zinc/18/75/19/283187519.db2.gz AKJRFELAMASNSA-IAOVAPTHSA-N 2 0 275.440 2.841 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000086896153 540255649 /nfs/dbraw/zinc/25/56/49/540255649.db2.gz NZZCTDSOJOUXLS-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP C(C[NH2+]C1CCCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000567865008 290500997 /nfs/dbraw/zinc/50/09/97/290500997.db2.gz QBWKDZAGSFVVGG-UHFFFAOYSA-N 2 0 293.499 2.763 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345715177 283213661 /nfs/dbraw/zinc/21/36/61/283213661.db2.gz MBCBYNKXRIDZOP-WBVHZDCISA-N 2 0 297.487 2.522 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000568740796 290568009 /nfs/dbraw/zinc/56/80/09/290568009.db2.gz QKFXBIFHEYZJSQ-IZKTWJBDSA-N 2 0 280.456 2.843 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000568880502 290575551 /nfs/dbraw/zinc/57/55/51/290575551.db2.gz KRQJALXIYBZTGY-KGLIPLIRSA-N 2 0 285.391 2.603 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000248147727 540260303 /nfs/dbraw/zinc/26/03/03/540260303.db2.gz QJKNIOQSGGTQGS-WBMJQRKESA-N 2 0 262.372 2.744 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339073764 540281974 /nfs/dbraw/zinc/28/19/74/540281974.db2.gz DYRBMTOKRWOZDK-ZACQAIPSSA-N 2 0 288.435 2.979 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072161 540282005 /nfs/dbraw/zinc/28/20/05/540282005.db2.gz TVJZOPDUSUWVSN-MSOLQXFVSA-N 2 0 288.435 2.940 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067879 540282449 /nfs/dbraw/zinc/28/24/49/540282449.db2.gz NIJRSUSBUAZFKA-KEYYUXOJSA-N 2 0 286.419 2.899 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339069055 540283707 /nfs/dbraw/zinc/28/37/07/540283707.db2.gz QOYHYOSOOOXWTI-SQNIBIBYSA-N 3 0 293.499 2.715 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1CCCCC1 ZINC000234027565 540307044 /nfs/dbraw/zinc/30/70/44/540307044.db2.gz BOOGTQYOSLZBAL-GJZGRUSLSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000151092530 540354669 /nfs/dbraw/zinc/35/46/69/540354669.db2.gz CQHUFJSAYNQCQE-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595563 540377228 /nfs/dbraw/zinc/37/72/28/540377228.db2.gz QZYMDVQSZOWYBA-ZWKOTPCHSA-N 3 0 293.499 2.859 20 0 CFADRP C[N@H+](CCCN[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000222969403 540382338 /nfs/dbraw/zinc/38/23/38/540382338.db2.gz VZKSVALHQXGJGT-CABCVRRESA-N 2 0 267.461 2.501 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000294832991 199202655 /nfs/dbraw/zinc/20/26/55/199202655.db2.gz QDUVUBWCCONMKL-UHFFFAOYSA-N 2 0 275.440 2.822 20 0 CFADRP C[C@H]([NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000423171884 299280738 /nfs/dbraw/zinc/28/07/38/299280738.db2.gz QKTFURKSMKGZCJ-LBPRGKRZSA-N 2 0 278.827 2.860 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420366169 236630224 /nfs/dbraw/zinc/63/02/24/236630224.db2.gz FSOJASYEWNRULJ-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)CCCCC1 ZINC000424336991 283408326 /nfs/dbraw/zinc/40/83/26/283408326.db2.gz KCMOFPWQIFSQNR-UPJWGTAASA-N 2 0 290.411 2.781 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000296418287 199885304 /nfs/dbraw/zinc/88/53/04/199885304.db2.gz MJZRFTUHYRLRML-HOCLYGCPSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000252204292 540430611 /nfs/dbraw/zinc/43/06/11/540430611.db2.gz WWJZPOUVYMTWGQ-MGLUKCQKSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678421692 540430671 /nfs/dbraw/zinc/43/06/71/540430671.db2.gz HYCDRSZBIBKWNC-ZFWWWQNUSA-N 2 0 261.413 2.691 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc(-n3cccn3)cc2)CC1 ZINC000422824526 283426047 /nfs/dbraw/zinc/42/60/47/283426047.db2.gz NYUMLKFTTQYOGD-UHFFFAOYSA-N 2 0 298.434 2.522 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000422817450 283426847 /nfs/dbraw/zinc/42/68/47/283426847.db2.gz DAWFMAWYKDTRCE-BNICSPFPSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879789 299288794 /nfs/dbraw/zinc/28/87/94/299288794.db2.gz LESDPNCVAWXFSZ-YESZJQIVSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878034 299289036 /nfs/dbraw/zinc/28/90/36/299289036.db2.gz IRTDOWJXQWZOCL-IKGGRYGDSA-N 3 0 281.488 2.619 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423177894 283433723 /nfs/dbraw/zinc/43/37/23/283433723.db2.gz BEGDBLFJYXRJFQ-CYBMUJFWSA-N 2 0 283.213 2.765 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000152199676 540445517 /nfs/dbraw/zinc/44/55/17/540445517.db2.gz FKUCXHPPTDYOKH-NWDGAFQWSA-N 2 0 279.428 2.542 20 0 CFADRP CC[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccn1 ZINC000094918215 540457397 /nfs/dbraw/zinc/45/73/97/540457397.db2.gz FRURFDMJPAHMGT-UHFFFAOYSA-N 2 0 261.413 2.683 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014412 540479318 /nfs/dbraw/zinc/47/93/18/540479318.db2.gz PWRCRXUWICOPAN-VXGBXAGGSA-N 2 0 252.789 2.942 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000152438641 540475012 /nfs/dbraw/zinc/47/50/12/540475012.db2.gz KCCICZJDUQVYSY-SJKOYZFVSA-N 2 0 274.383 2.887 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000092741997 299290815 /nfs/dbraw/zinc/29/08/15/299290815.db2.gz YVZQFTNESJACAX-JYJNAYRXSA-N 2 0 291.439 2.622 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1C ZINC000422558514 237102714 /nfs/dbraw/zinc/10/27/14/237102714.db2.gz AZWGNDCGACVHTJ-YCPHGPKFSA-N 2 0 276.424 2.809 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCCN(C)c1ccccc1 ZINC000422730110 237145021 /nfs/dbraw/zinc/14/50/21/237145021.db2.gz DGLJXDMFOAHDLX-HNNXBMFYSA-N 2 0 263.429 2.620 20 0 CFADRP C[C@H]([NH2+]CCCCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422739757 237152648 /nfs/dbraw/zinc/15/26/48/237152648.db2.gz MDBPROUZDLRSEA-RDJZCZTQSA-N 2 0 275.440 2.633 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422698436 237121745 /nfs/dbraw/zinc/12/17/45/237121745.db2.gz ZHFJUFJMVYYFSD-KZNAEPCWSA-N 2 0 288.435 2.550 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422709816 237128573 /nfs/dbraw/zinc/12/85/73/237128573.db2.gz ZUNRMOPBCQLDQQ-CABCVRRESA-N 2 0 289.467 2.539 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000422708979 237129775 /nfs/dbraw/zinc/12/97/75/237129775.db2.gz COVHRXPESWGBEE-IRXDYDNUSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422715374 237133161 /nfs/dbraw/zinc/13/31/61/237133161.db2.gz JEUFVFWOSRBVNY-HUUCEWRRSA-N 2 0 299.418 2.876 20 0 CFADRP CN(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(F)c1 ZINC000422726189 237137936 /nfs/dbraw/zinc/13/79/36/237137936.db2.gz DIMQHFWLTMNYOL-QWFMPGPPSA-N 2 0 293.430 2.536 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N1CCc2ccccc21 ZINC000422722743 237138400 /nfs/dbraw/zinc/13/84/00/237138400.db2.gz YVPLQPYEWQMSMM-HYVNUMGLSA-N 2 0 287.451 2.545 20 0 CFADRP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422727914 237140854 /nfs/dbraw/zinc/14/08/54/237140854.db2.gz DSEWVWKQQMAKSP-ZNMIVQPWSA-N 2 0 293.480 2.615 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1Cl)C1C[NH2+]C1 ZINC000422727279 237141079 /nfs/dbraw/zinc/14/10/79/237141079.db2.gz HARCWTZCDYZJHX-JTQLQIEISA-N 2 0 284.806 2.954 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422728125 237141977 /nfs/dbraw/zinc/14/19/77/237141977.db2.gz FDMHIQMSRUUMOW-KJFZJZGVSA-N 2 0 256.393 2.937 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422775870 237192087 /nfs/dbraw/zinc/19/20/87/237192087.db2.gz BPBLSICIGVQHAL-UKRRQHHQSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772535 237189917 /nfs/dbraw/zinc/18/99/17/237189917.db2.gz ZGZISQNSIKMFAX-BLLLJJGKSA-N 2 0 289.398 2.827 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251558881 540539846 /nfs/dbraw/zinc/53/98/46/540539846.db2.gz BKKDKLCKPOOPQW-LALPHHSUSA-N 2 0 250.361 2.946 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422774794 237190597 /nfs/dbraw/zinc/19/05/97/237190597.db2.gz YMFJKFJMGJTIEZ-ZFWWWQNUSA-N 2 0 264.438 2.804 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422774793 237190853 /nfs/dbraw/zinc/19/08/53/237190853.db2.gz YMFJKFJMGJTIEZ-UKRRQHHQSA-N 2 0 264.438 2.804 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422745269 237158034 /nfs/dbraw/zinc/15/80/34/237158034.db2.gz LSSZYXOBAYPGSX-HRCADAONSA-N 2 0 289.467 2.927 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccc(F)cc1 ZINC000422745713 237158381 /nfs/dbraw/zinc/15/83/81/237158381.db2.gz VOEOMTQKQIYQNI-XJKCOSOUSA-N 2 0 264.388 2.907 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422744102 237159019 /nfs/dbraw/zinc/15/90/19/237159019.db2.gz SHALONGNFKCARB-LAQRGFTBSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000422752377 237165988 /nfs/dbraw/zinc/16/59/88/237165988.db2.gz CSSZPFNQJVDBRG-XUXIUFHCSA-N 2 0 256.434 2.543 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000422757894 237171839 /nfs/dbraw/zinc/17/18/39/237171839.db2.gz NHSQKUHCBKQTTE-ZYHUDNBSSA-N 2 0 288.794 2.884 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)COCc1ccccc1 ZINC000422760468 237174397 /nfs/dbraw/zinc/17/43/97/237174397.db2.gz LUJUDQPDHJNXQO-SOUVJXGZSA-N 2 0 264.413 2.555 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCSc1ccccc1 ZINC000422759945 237174458 /nfs/dbraw/zinc/17/44/58/237174458.db2.gz PPVGYRCVDICIQQ-CHWSQXEVSA-N 2 0 252.427 2.884 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccccc1F ZINC000422760715 237174881 /nfs/dbraw/zinc/17/48/81/237174881.db2.gz HAHZJGXQXUXISB-RYUDHWBXSA-N 2 0 270.417 2.774 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422760986 237175711 /nfs/dbraw/zinc/17/57/11/237175711.db2.gz QSOJDVAQPVQVEC-NUEKZKHPSA-N 2 0 294.464 2.511 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422761601 237176177 /nfs/dbraw/zinc/17/61/77/237176177.db2.gz MXPQKRATAQDVGK-JSRQGNBESA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422764505 237178333 /nfs/dbraw/zinc/17/83/33/237178333.db2.gz PTXFJFYNMSOFEG-VHSXEESVSA-N 2 0 260.303 2.921 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(F)c1 ZINC000422796038 237218345 /nfs/dbraw/zinc/21/83/45/237218345.db2.gz XKUVSYCHPDOJCN-XJKCOSOUSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000422794838 237219185 /nfs/dbraw/zinc/21/91/85/237219185.db2.gz GZKGYPKIBYGSBP-BPUTZDHNSA-N 2 0 268.445 2.689 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CC[C@H]1[NH3+] ZINC000251692655 540549154 /nfs/dbraw/zinc/54/91/54/540549154.db2.gz ILOUTSGZVSXBPJ-LSDHHAIUSA-N 2 0 262.397 2.563 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000422804815 237227271 /nfs/dbraw/zinc/22/72/71/237227271.db2.gz FTTSRQFJIXEYAY-BYNSBNAKSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000422775247 237192500 /nfs/dbraw/zinc/19/25/00/237192500.db2.gz AUWIMUZSWWBFFV-NXHRZFHOSA-N 2 0 289.467 2.575 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774751 237192966 /nfs/dbraw/zinc/19/29/66/237192966.db2.gz YIXLRMOGNDJDND-QWHCGFSZSA-N 2 0 262.397 2.691 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422780311 237198233 /nfs/dbraw/zinc/19/82/33/237198233.db2.gz CSXQSPDJLMOREH-ZIAGYGMSSA-N 2 0 280.412 2.570 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779726 237199760 /nfs/dbraw/zinc/19/97/60/237199760.db2.gz ITXHOVJZKTYPFG-BBRMVZONSA-N 2 0 271.408 2.749 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Oc1ccc(F)cc1 ZINC000422779208 237199957 /nfs/dbraw/zinc/19/99/57/237199957.db2.gz BTOXWCWLINZTEI-WQVCFCJDSA-N 2 0 280.387 2.843 20 0 CFADRP COc1cccc(O[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422783313 237200847 /nfs/dbraw/zinc/20/08/47/237200847.db2.gz HEUCPOVCJWMBNJ-KGLIPLIRSA-N 2 0 280.412 2.570 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422802494 237227729 /nfs/dbraw/zinc/22/77/29/237227729.db2.gz DJCFZBGHIGSQAT-MLGOLLRUSA-N 2 0 297.402 2.503 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000340184242 299293089 /nfs/dbraw/zinc/29/30/89/299293089.db2.gz RIFDXEOQJJJNHI-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])Oc1ccccc1F ZINC000422788867 237209547 /nfs/dbraw/zinc/20/95/47/237209547.db2.gz NTGSVMOFNBQPPF-QWHCGFSZSA-N 2 0 268.376 2.700 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790154 237212604 /nfs/dbraw/zinc/21/26/04/237212604.db2.gz PCTGEYSWGIYSDD-ROUUACIJSA-N 2 0 287.451 2.642 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000251659889 540545333 /nfs/dbraw/zinc/54/53/33/540545333.db2.gz GZGWCSWWUJAFGO-XJKSGUPXSA-N 2 0 269.392 2.794 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422789389 237213095 /nfs/dbraw/zinc/21/30/95/237213095.db2.gz WOASEWULXSWINL-YXQSOJMXSA-N 2 0 260.381 2.629 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422793739 237214571 /nfs/dbraw/zinc/21/45/71/237214571.db2.gz SRGYZJRYULMZOU-ZMSDIMECSA-N 2 0 276.424 2.740 20 0 CFADRP Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422794693 237216973 /nfs/dbraw/zinc/21/69/73/237216973.db2.gz UQUSHBNTELSCAL-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422818877 237245936 /nfs/dbraw/zinc/24/59/36/237245936.db2.gz HHMHGQXLSJZUAA-DOMZBBRYSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000422824181 237251899 /nfs/dbraw/zinc/25/18/99/237251899.db2.gz GIXYZQDOJIKNPF-GXTWGEPZSA-N 2 0 275.421 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)C1C[NH2+]C1 ZINC000422835112 237263007 /nfs/dbraw/zinc/26/30/07/237263007.db2.gz IHVUXFQADDKPIE-GDLVEWKHSA-N 2 0 262.372 2.647 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000422827358 237254414 /nfs/dbraw/zinc/25/44/14/237254414.db2.gz MXPJSHPJJPUZEY-ZUZCIYMTSA-N 2 0 296.361 2.863 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252419090 540563057 /nfs/dbraw/zinc/56/30/57/540563057.db2.gz YCEYBAMOHYYVRC-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000422814629 237239258 /nfs/dbraw/zinc/23/92/58/237239258.db2.gz VQRFPNVOFQFZBR-IAGOWNOFSA-N 2 0 278.440 2.770 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422814939 237241444 /nfs/dbraw/zinc/24/14/44/237241444.db2.gz WMWSMEWQXNVWHD-IXDOHACOSA-N 2 0 294.483 2.830 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953859 540597058 /nfs/dbraw/zinc/59/70/58/540597058.db2.gz JNRFCPCUBUIZCI-XJKSGUPXSA-N 2 0 276.399 2.879 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422867521 237289672 /nfs/dbraw/zinc/28/96/72/237289672.db2.gz SQWMOTRZFCELQL-MJBXVCDLSA-N 2 0 286.423 2.957 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CCC[C@H]3[NH3+])co2)cc1 ZINC000422875036 237295265 /nfs/dbraw/zinc/29/52/65/237295265.db2.gz BJIOZYRGKXDVPL-HZPDHXFCSA-N 2 0 285.391 2.662 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422874980 237296166 /nfs/dbraw/zinc/29/61/66/237296166.db2.gz OJMLRUYFBZIULU-OWLYRPNTSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422840987 237264929 /nfs/dbraw/zinc/26/49/29/237264929.db2.gz CLTPRNMRBGMJLG-CJNGLKHVSA-N 2 0 271.408 2.749 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422842918 237267812 /nfs/dbraw/zinc/26/78/12/237267812.db2.gz ZOLZCVMDLQHMMV-GHMZBOCLSA-N 2 0 263.360 2.565 20 0 CFADRP C[C@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)C1C[NH2+]C1 ZINC000422845115 237270672 /nfs/dbraw/zinc/27/06/72/237270672.db2.gz NLGLBEJDYGUZMV-LBPRGKRZSA-N 2 0 294.389 2.974 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856427 540587907 /nfs/dbraw/zinc/58/79/07/540587907.db2.gz HQQKEZQBJUXBKN-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422851459 237272767 /nfs/dbraw/zinc/27/27/67/237272767.db2.gz OXTBOIXUQLAQLG-AVGNSLFASA-N 2 0 296.377 2.699 20 0 CFADRP CN(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000422892509 237314810 /nfs/dbraw/zinc/31/48/10/237314810.db2.gz NDUMSLGEKHNPOE-PREGVCBESA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422895192 237314982 /nfs/dbraw/zinc/31/49/82/237314982.db2.gz VHFQLWIMEFUZSY-QWRGUYRKSA-N 2 0 290.329 2.843 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422899098 237319575 /nfs/dbraw/zinc/31/95/75/237319575.db2.gz NTWONYHKMIGJPJ-HOTGVXAUSA-N 2 0 262.397 2.623 20 0 CFADRP CC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000157687247 540613093 /nfs/dbraw/zinc/61/30/93/540613093.db2.gz WVKPSAQPGDSFQL-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422901048 237322467 /nfs/dbraw/zinc/32/24/67/237322467.db2.gz BDKXTCJURPBSJG-JZWPEALZSA-N 2 0 256.393 2.589 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906708 237329859 /nfs/dbraw/zinc/32/98/59/237329859.db2.gz AHGZFGVEXMEWJL-IAGOWNOFSA-N 2 0 291.439 2.699 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422909401 237332581 /nfs/dbraw/zinc/33/25/81/237332581.db2.gz FUPHUTVWEVDCSP-XJKSGUPXSA-N 2 0 274.408 2.835 20 0 CFADRP C[C@H](O)C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000422881547 237302154 /nfs/dbraw/zinc/30/21/54/237302154.db2.gz YWNWXLGEEFLAFH-ZOBUZTSGSA-N 2 0 278.440 2.648 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422922896 237352717 /nfs/dbraw/zinc/35/27/17/237352717.db2.gz RDSHKEMGHKIYDY-TYNCELHUSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1Cl ZINC000422921843 237353159 /nfs/dbraw/zinc/35/31/59/237353159.db2.gz PEAKMPRGOSFJJO-SDDRHHMPSA-N 2 0 270.804 2.823 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422946393 237373991 /nfs/dbraw/zinc/37/39/91/237373991.db2.gz WQQKZRXIJQNCSK-XQQFMLRXSA-N 2 0 280.412 2.870 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000422924319 237357249 /nfs/dbraw/zinc/35/72/49/237357249.db2.gz AMYGRQNRLHXSPV-MXAVVETBSA-N 2 0 292.448 2.565 20 0 CFADRP Cc1cccc(NCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000422923732 237358016 /nfs/dbraw/zinc/35/80/16/237358016.db2.gz WVSOQJBQYXNNMJ-HOTGVXAUSA-N 2 0 282.391 2.536 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422924728 237358228 /nfs/dbraw/zinc/35/82/28/237358228.db2.gz BBPYHQCBQZLUOH-VXGBXAGGSA-N 2 0 288.313 2.597 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422943981 237374193 /nfs/dbraw/zinc/37/41/93/237374193.db2.gz LTVWSSBYKODTNP-SJORKVTESA-N 2 0 276.424 2.932 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422932389 237363011 /nfs/dbraw/zinc/36/30/11/237363011.db2.gz ZEPCHSRYKZQGLO-KRWDZBQOSA-N 2 0 290.451 2.743 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1cccc2ccccc21 ZINC000422945221 237374435 /nfs/dbraw/zinc/37/44/35/237374435.db2.gz NAUCRXLHJSVTJH-UONOGXRCSA-N 2 0 272.392 2.934 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1cccc(Cl)c1 ZINC000422936384 237366819 /nfs/dbraw/zinc/36/68/19/237366819.db2.gz BMHRWPKSTCGCRH-NWDGAFQWSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000422936533 237369417 /nfs/dbraw/zinc/36/94/17/237369417.db2.gz IOHOOXKLWDAUHJ-CMPLNLGQSA-N 2 0 272.845 2.922 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422943659 237374696 /nfs/dbraw/zinc/37/46/96/237374696.db2.gz QXFCMSKDDZJLSI-CWRNSKLLSA-N 2 0 292.398 2.845 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422918592 237345493 /nfs/dbraw/zinc/34/54/93/237345493.db2.gz HRUSONFTDAMPOM-AEGPPILISA-N 2 0 282.815 2.745 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1 ZINC000422980072 237408741 /nfs/dbraw/zinc/40/87/41/237408741.db2.gz KQPRCDXCANFOTQ-WLYUNCDWSA-N 2 0 262.397 2.561 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422943980 237375693 /nfs/dbraw/zinc/37/56/93/237375693.db2.gz LTVWSSBYKODTNP-IRXDYDNUSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000422955473 237385902 /nfs/dbraw/zinc/38/59/02/237385902.db2.gz MDFXPRFXRVILII-UWVGGRQHSA-N 2 0 258.768 2.737 20 0 CFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422967091 237398206 /nfs/dbraw/zinc/39/82/06/237398206.db2.gz SHPXBKUEUBQDHZ-QZTJIDSGSA-N 2 0 298.434 2.583 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000422989379 237421223 /nfs/dbraw/zinc/42/12/23/237421223.db2.gz LGPNMUVRESHOAX-ZBWGPYKDSA-N 2 0 270.420 2.679 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423016978 237440093 /nfs/dbraw/zinc/44/00/93/237440093.db2.gz VEXUHKGHBJGYFG-NSHDSACASA-N 2 0 268.351 2.713 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000422896739 283479346 /nfs/dbraw/zinc/47/93/46/283479346.db2.gz AULHCJLIKCRGCJ-XSLAGTTESA-N 2 0 288.435 2.871 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000423084378 237511656 /nfs/dbraw/zinc/51/16/56/237511656.db2.gz HWVAVADNRRHVGI-UHFFFAOYSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000415032833 283484963 /nfs/dbraw/zinc/48/49/63/283484963.db2.gz IKVPVWBVTMAJEF-KMUNFCNLSA-N 2 0 264.800 2.524 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000297645008 200251130 /nfs/dbraw/zinc/25/11/30/200251130.db2.gz XQKOGZQOOTWYEB-HIFRSBDPSA-N 2 0 275.421 2.954 20 0 CFADRP C[N@H+](CCc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000258879323 540674568 /nfs/dbraw/zinc/67/45/68/540674568.db2.gz KFMPIYZMUWKYBF-HNNXBMFYSA-N 2 0 268.404 2.924 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@H]1COc2ccccc21 ZINC000248564896 299301175 /nfs/dbraw/zinc/30/11/75/299301175.db2.gz DPXRESWMOMPUHS-SQWLQELKSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000420419229 299301052 /nfs/dbraw/zinc/30/10/52/299301052.db2.gz XKCXUESWICRFQJ-LSDHHAIUSA-N 2 0 260.425 2.942 20 0 CFADRP CC(C)O[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000404677706 540682465 /nfs/dbraw/zinc/68/24/65/540682465.db2.gz YUBHAJDRPZTJFH-KRWDZBQOSA-N 2 0 288.435 2.722 20 0 CFADRP CC(C)(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CC1 ZINC000406085671 540694067 /nfs/dbraw/zinc/69/40/67/540694067.db2.gz ZQHLNSKBEPNBCM-OKILXGFUSA-N 2 0 250.430 2.744 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000435882000 240362906 /nfs/dbraw/zinc/36/29/06/240362906.db2.gz RKLNSGQGRJPYCM-AWEZNQCLSA-N 2 0 266.816 2.956 20 0 CFADRP COC[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000177465608 189053264 /nfs/dbraw/zinc/05/32/64/189053264.db2.gz LTMPJEIWBYGJQJ-HUUCEWRRSA-N 2 0 264.413 2.522 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335044275 283552577 /nfs/dbraw/zinc/55/25/77/283552577.db2.gz XXXUHRHBPSYROK-QZTJIDSGSA-N 2 0 287.451 2.905 20 0 CFADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000521858929 540733973 /nfs/dbraw/zinc/73/39/73/540733973.db2.gz CDGVHEJOCDBHBA-QZTJIDSGSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)cc1F ZINC000154547078 540747692 /nfs/dbraw/zinc/74/76/92/540747692.db2.gz HTBMHOCGSNNCBV-GXTWGEPZSA-N 2 0 250.361 2.879 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054241408 540781769 /nfs/dbraw/zinc/78/17/69/540781769.db2.gz NRRNYQAIVZLGQW-CHWSQXEVSA-N 2 0 252.427 2.611 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683925707 540787726 /nfs/dbraw/zinc/78/77/26/540787726.db2.gz QVUFQQOTLAJFII-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422812838 296020776 /nfs/dbraw/zinc/02/07/76/296020776.db2.gz XBQCHDLOTSGKAH-CHWSQXEVSA-N 2 0 286.423 2.516 20 0 CFADRP Fc1cccc(CC[N@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000178973665 189158412 /nfs/dbraw/zinc/15/84/12/189158412.db2.gz QNBGKLUVHUEFFY-UHFFFAOYSA-N 2 0 276.399 2.832 20 0 CFADRP C[N@@H+](Cc1ccccc1N1CCCC1)CC1CC[NH2+]CC1 ZINC000178978068 189158948 /nfs/dbraw/zinc/15/89/48/189158948.db2.gz ALFZYENEGCKAII-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423103635 238202350 /nfs/dbraw/zinc/20/23/50/238202350.db2.gz XRQANEMKDDYZIT-QCQGSNGOSA-N 2 0 262.372 2.789 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000414344303 540823408 /nfs/dbraw/zinc/82/34/08/540823408.db2.gz NWMFFNPLJSZGOQ-BZSNNMDCSA-N 2 0 287.451 2.506 20 0 CFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423096059 238197580 /nfs/dbraw/zinc/19/75/80/238197580.db2.gz NXDLUVVGAGMOEA-KBAYOESNSA-N 2 0 293.499 2.904 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000423098220 238200103 /nfs/dbraw/zinc/20/01/03/238200103.db2.gz RSMFJBLRJUHICF-ZBFHGGJFSA-N 2 0 264.388 2.865 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1F ZINC000423098218 238200351 /nfs/dbraw/zinc/20/03/51/238200351.db2.gz RSMFJBLRJUHICF-GOEBONIOSA-N 2 0 264.388 2.865 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423097902 238200607 /nfs/dbraw/zinc/20/06/07/238200607.db2.gz RLOVTRWIHHNVFX-BHYGNILZSA-N 2 0 279.472 2.501 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000435881179 240364757 /nfs/dbraw/zinc/36/47/57/240364757.db2.gz SWNPCJZTUUMSKB-WFASDCNBSA-N 2 0 250.361 2.818 20 0 CFADRP CCOc1ccc([C@H]2CCC[N@@H+]2CCC[NH2+]C)cc1 ZINC000435871795 240365009 /nfs/dbraw/zinc/36/50/09/240365009.db2.gz UZRWZATWBWMEEY-MRXNPFEDSA-N 2 0 262.397 2.832 20 0 CFADRP c1ccc([C@@H]2CC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)O2)cc1 ZINC000423122732 238212986 /nfs/dbraw/zinc/21/29/86/238212986.db2.gz LECRXYGXMBDZGJ-CIQAELJKSA-N 2 0 286.419 2.779 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414911111 540830456 /nfs/dbraw/zinc/83/04/56/540830456.db2.gz DLFARRRQBSUPEI-JKSUJKDBSA-N 2 0 284.407 2.745 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414908935 540830592 /nfs/dbraw/zinc/83/05/92/540830592.db2.gz BOWUJNQAEKIJGG-UONOGXRCSA-N 2 0 278.444 2.614 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414911104 540830609 /nfs/dbraw/zinc/83/06/09/540830609.db2.gz DLFARRRQBSUPEI-HOTGVXAUSA-N 2 0 284.407 2.745 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000414927286 540830882 /nfs/dbraw/zinc/83/08/82/540830882.db2.gz ORUQDSFNYDGNDM-RYUDHWBXSA-N 2 0 298.814 2.717 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928517 540830930 /nfs/dbraw/zinc/83/09/30/540830930.db2.gz QDGXQNQPASRDLS-IPKOWEFYSA-N 2 0 260.381 2.568 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000414928014 540831117 /nfs/dbraw/zinc/83/11/17/540831117.db2.gz PTRHNEGRWQQOFF-LSDHHAIUSA-N 2 0 292.423 2.844 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000414928008 540831183 /nfs/dbraw/zinc/83/11/83/540831183.db2.gz PTRHNEGRWQQOFF-CABCVRRESA-N 2 0 292.423 2.844 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423126998 238218343 /nfs/dbraw/zinc/21/83/43/238218343.db2.gz BNPHHHXLUIOLCR-JWYNJWGYSA-N 2 0 288.435 2.522 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414931067 540831742 /nfs/dbraw/zinc/83/17/42/540831742.db2.gz UBOQWPDVVWNJKL-OLZOCXBDSA-N 2 0 250.361 2.748 20 0 CFADRP CCOc1ccccc1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415086531 540834258 /nfs/dbraw/zinc/83/42/58/540834258.db2.gz USECKSXAMIVOIK-UHFFFAOYSA-N 2 0 276.424 2.735 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116748 238208195 /nfs/dbraw/zinc/20/81/95/238208195.db2.gz RKKSUHNIIGFQIM-BLLLJJGKSA-N 2 0 289.398 2.957 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000423118891 238209814 /nfs/dbraw/zinc/20/98/14/238209814.db2.gz APDHDJPXTYWPLM-NILFDRSVSA-N 2 0 290.432 2.743 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423139347 238226910 /nfs/dbraw/zinc/22/69/10/238226910.db2.gz ZLGHOHAHOODGKT-CRWXNKLISA-N 2 0 290.398 2.544 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)c2ccccc21 ZINC000423143705 238228552 /nfs/dbraw/zinc/22/85/52/238228552.db2.gz DUYPAJXGTNDCCT-SJORKVTESA-N 2 0 274.408 2.928 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000335237947 283592769 /nfs/dbraw/zinc/59/27/69/283592769.db2.gz HHORAVIPOZWJIB-SJORKVTESA-N 2 0 292.398 2.544 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423145007 238231121 /nfs/dbraw/zinc/23/11/21/238231121.db2.gz IPOLGLATYNLKGL-NWDGAFQWSA-N 2 0 292.814 2.741 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423149018 238237454 /nfs/dbraw/zinc/23/74/54/238237454.db2.gz HDSMQMQUEUCOBK-JQHSSLGASA-N 2 0 287.451 2.833 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)c1 ZINC000423152675 238238920 /nfs/dbraw/zinc/23/89/20/238238920.db2.gz GDTYIJYMTXMFEI-KCYZZUKISA-N 2 0 274.408 2.658 20 0 CFADRP C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423132151 238222401 /nfs/dbraw/zinc/22/24/01/238222401.db2.gz OSCAXARMMBNXTN-KBRIMQKVSA-N 2 0 258.409 2.910 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000386701150 540852468 /nfs/dbraw/zinc/85/24/68/540852468.db2.gz NJQYWQKXOYOGFX-YOEHRIQHSA-N 2 0 292.398 2.655 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173472 238252389 /nfs/dbraw/zinc/25/23/89/238252389.db2.gz YVZJVKSLWLKJPS-SHPPOPEUSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1C ZINC000423178569 238254794 /nfs/dbraw/zinc/25/47/94/238254794.db2.gz LBHRTOCVOXYUGV-QGZVFWFLSA-N 2 0 289.467 2.558 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1NCc1ccnc(C(F)(F)F)c1 ZINC000423156628 238242324 /nfs/dbraw/zinc/24/23/24/238242324.db2.gz LINPKIUDUPPKMA-RYUDHWBXSA-N 2 0 287.329 2.850 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166266683 540883881 /nfs/dbraw/zinc/88/38/81/540883881.db2.gz DVSCPMYEGJIQEM-GVDBMIGSSA-N 2 0 288.435 2.979 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000295365444 283604318 /nfs/dbraw/zinc/60/43/18/283604318.db2.gz ZTBYRZXVBJUSDL-UHFFFAOYSA-N 2 0 289.423 2.644 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423224931 238289413 /nfs/dbraw/zinc/28/94/13/238289413.db2.gz KPIBCBKPSYGYDH-WOSRLPQWSA-N 2 0 280.387 2.620 20 0 CFADRP Cc1[nH+]ccc(N2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000684890544 540887787 /nfs/dbraw/zinc/88/77/87/540887787.db2.gz WHIANXUGACGDCC-UHFFFAOYSA-N 2 0 288.782 2.765 20 0 CFADRP C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(F)cn1 ZINC000423235969 238297580 /nfs/dbraw/zinc/29/75/80/238297580.db2.gz GVXZNAIYATWQIU-SMDDNHRTSA-N 2 0 259.328 2.571 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423210850 238281644 /nfs/dbraw/zinc/28/16/44/238281644.db2.gz GJEFMAQTXTUOSC-SRVKXCTJSA-N 2 0 268.426 2.795 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423211367 238281651 /nfs/dbraw/zinc/28/16/51/238281651.db2.gz KZMJSLGBXRHFAU-GOEBONIOSA-N 2 0 298.434 2.831 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423266953 238322702 /nfs/dbraw/zinc/32/27/02/238322702.db2.gz DMKOMVPTHAWSFZ-NEPJUHHUSA-N 2 0 297.830 2.784 20 0 CFADRP Fc1cccc2c1SCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249542 238308810 /nfs/dbraw/zinc/30/88/10/238308810.db2.gz OSLPDFPOCBSIMV-RISCZKNCSA-N 2 0 280.412 2.952 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256571 238311962 /nfs/dbraw/zinc/31/19/62/238311962.db2.gz CASONPYUURMIRP-WBVHZDCISA-N 2 0 275.440 2.772 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000155942521 540910646 /nfs/dbraw/zinc/91/06/46/540910646.db2.gz FERYPMNZFZSULV-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423255890 238313202 /nfs/dbraw/zinc/31/32/02/238313202.db2.gz DCJKXBODPACJJG-HOTGVXAUSA-N 2 0 298.434 2.913 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1F ZINC000423255344 238313224 /nfs/dbraw/zinc/31/32/24/238313224.db2.gz BSNLQXZWLDBFFT-STQMWFEESA-N 2 0 280.387 2.875 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000423263040 238319198 /nfs/dbraw/zinc/31/91/98/238319198.db2.gz ALXIOVZDJJSLRO-SJORKVTESA-N 2 0 260.425 2.889 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000252439009 540931204 /nfs/dbraw/zinc/93/12/04/540931204.db2.gz JQXXJHBQVHTHNQ-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP FC(F)C1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423283987 238342384 /nfs/dbraw/zinc/34/23/84/238342384.db2.gz XVYDSHWSMQSACH-HIFPTAJRSA-N 2 0 260.372 2.790 20 0 CFADRP CCCN1CC[C@H]([NH2+]Cc2cccc3cnccc32)C1 ZINC000389204479 540936339 /nfs/dbraw/zinc/93/63/39/540936339.db2.gz AQQRQPKIIMCGHG-INIZCTEOSA-N 2 0 269.392 2.809 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423275621 238334058 /nfs/dbraw/zinc/33/40/58/238334058.db2.gz LZRLIKMWDWMHRV-SVGFKBNWSA-N 2 0 276.424 2.870 20 0 CFADRP Fc1cncc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423276142 238334101 /nfs/dbraw/zinc/33/41/01/238334101.db2.gz OEGNDGNSNTUQCQ-WBMJQRKESA-N 2 0 277.387 2.651 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OC)c2F)CC1 ZINC000166048974 540924826 /nfs/dbraw/zinc/92/48/26/540924826.db2.gz QASPXTPKBQBJDK-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000423278573 238338932 /nfs/dbraw/zinc/33/89/32/238338932.db2.gz QWNPHUKCSBJKRG-NFAWXSAZSA-N 2 0 294.439 2.769 20 0 CFADRP CC[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1C[C@H]1C ZINC000666086623 540955319 /nfs/dbraw/zinc/95/53/19/540955319.db2.gz LHXHXGGTFCIEIY-JLSDUUJJSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000157605585 540955958 /nfs/dbraw/zinc/95/59/58/540955958.db2.gz OWMSVCGOTYCDQQ-HNNXBMFYSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000423290682 238351723 /nfs/dbraw/zinc/35/17/23/238351723.db2.gz FAWUMQPTDBGZOT-SJWGOKEGSA-N 2 0 288.435 3.000 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423296738 238354101 /nfs/dbraw/zinc/35/41/01/238354101.db2.gz HPNVEELFYOIDCZ-ZJUUUORDSA-N 2 0 276.302 2.831 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CC2 ZINC000157726915 540960452 /nfs/dbraw/zinc/96/04/52/540960452.db2.gz CNBAMEMOAWCOCT-NVXWUHKLSA-N 2 0 274.383 2.887 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])ccc1SC ZINC000423299420 238356159 /nfs/dbraw/zinc/35/61/59/238356159.db2.gz QDWAHQBGSIUQRL-QWRGUYRKSA-N 2 0 268.426 2.663 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])ccc1SC ZINC000423299418 238356256 /nfs/dbraw/zinc/35/62/56/238356256.db2.gz QDWAHQBGSIUQRL-GHMZBOCLSA-N 2 0 268.426 2.663 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423303428 238359520 /nfs/dbraw/zinc/35/95/20/238359520.db2.gz LNMXRHDIKJMHRW-VIFPVBQESA-N 2 0 258.287 2.575 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423329217 238380731 /nfs/dbraw/zinc/38/07/31/238380731.db2.gz OGOHQCOQSPBUIC-CHWSQXEVSA-N 2 0 292.423 2.667 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423335851 238388519 /nfs/dbraw/zinc/38/85/19/238388519.db2.gz UGOFADVEOLUHSU-VIFPVBQESA-N 2 0 276.302 2.817 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000390781421 540983184 /nfs/dbraw/zinc/98/31/84/540983184.db2.gz REFPZBLQAOHYHS-NVXWUHKLSA-N 2 0 298.434 2.973 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2sc(C)nc2C)CC1 ZINC000157896917 540963225 /nfs/dbraw/zinc/96/32/25/540963225.db2.gz YWNBBKLQFHTGDW-UHFFFAOYSA-N 2 0 281.469 2.766 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423338746 238389805 /nfs/dbraw/zinc/38/98/05/238389805.db2.gz IMVYWIQBQGSCBU-CYBMUJFWSA-N 2 0 262.372 2.656 20 0 CFADRP C(CC1CCOCC1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000358720875 540965393 /nfs/dbraw/zinc/96/53/93/540965393.db2.gz WINSHZNFXYUGJK-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423321608 238375637 /nfs/dbraw/zinc/37/56/37/238375637.db2.gz GOYIEQBEGTWRSV-OAHLLOKOSA-N 2 0 275.440 2.772 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000423339418 238391286 /nfs/dbraw/zinc/39/12/86/238391286.db2.gz ISOJFSBCEKWCFX-NSHDSACASA-N 2 0 282.334 2.858 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000423342093 238391958 /nfs/dbraw/zinc/39/19/58/238391958.db2.gz UZIVCGZVSDFKCM-JTQLQIEISA-N 2 0 276.302 2.975 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(Br)c(F)c1 ZINC000423342501 238392603 /nfs/dbraw/zinc/39/26/03/238392603.db2.gz YUTUQBLSLVWGBB-VIFPVBQESA-N 2 0 289.192 2.978 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423344855 238394356 /nfs/dbraw/zinc/39/43/56/238394356.db2.gz YJSOZWYKULCVPN-MAUKXSAKSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423347825 238396154 /nfs/dbraw/zinc/39/61/54/238396154.db2.gz RHKZIXIONCMSJK-NSHDSACASA-N 2 0 250.773 2.910 20 0 CFADRP FC(F)C1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423437607 238456292 /nfs/dbraw/zinc/45/62/92/238456292.db2.gz MKKFTGMPHKHWNM-CLRIEMFWSA-N 2 0 272.383 2.788 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423436927 238456961 /nfs/dbraw/zinc/45/69/61/238456961.db2.gz MBIAJDGZTYNZRQ-KNXALSJPSA-N 2 0 262.372 2.864 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423485444 238485510 /nfs/dbraw/zinc/48/55/10/238485510.db2.gz RPISJXDJQWLHNO-XJKSGUPXSA-N 2 0 274.408 2.804 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cnn1C(C)C ZINC000423490125 238491237 /nfs/dbraw/zinc/49/12/37/238491237.db2.gz XKXJMVIUKIOLCV-DZGCQCFKSA-N 2 0 278.444 2.955 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cnn1C(C)C ZINC000423520859 238512215 /nfs/dbraw/zinc/51/22/15/238512215.db2.gz WOJIHOAQDJFXSZ-YUTCNCBUSA-N 2 0 264.417 2.550 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423562518 238529985 /nfs/dbraw/zinc/52/99/85/238529985.db2.gz QNSOTFVHGUWWEH-MRXNPFEDSA-N 2 0 272.392 2.582 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423561658 238530165 /nfs/dbraw/zinc/53/01/65/238530165.db2.gz PVVTVFJHPYHKCL-CYBMUJFWSA-N 2 0 290.407 2.664 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)s1 ZINC000423574475 238531271 /nfs/dbraw/zinc/53/12/71/238531271.db2.gz ZXARCISGXDBEQI-JTQLQIEISA-N 2 0 265.426 2.720 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000181907247 189309527 /nfs/dbraw/zinc/30/95/27/189309527.db2.gz MJHOICLAMYDOBL-CYBMUJFWSA-N 2 0 291.439 2.883 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cc(OCC2CC2)cc[nH+]1 ZINC001168766840 781941175 /nfs/dbraw/zinc/94/11/75/781941175.db2.gz UIAKMJXHVQIPCQ-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000671741109 541063560 /nfs/dbraw/zinc/06/35/60/541063560.db2.gz QRWSPKOQGUIYRI-UHFFFAOYSA-N 2 0 289.423 2.607 20 0 CFADRP Cc1cc(N(C)CC[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000301674705 201127942 /nfs/dbraw/zinc/12/79/42/201127942.db2.gz PHUIYJFNTQSWFM-UHFFFAOYSA-N 2 0 261.344 2.680 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666831880 541148864 /nfs/dbraw/zinc/14/88/64/541148864.db2.gz FOJIIBUXZUYVRY-GFCCVEGCSA-N 2 0 298.390 2.660 20 0 CFADRP CC(C)(C[NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000666840399 541150328 /nfs/dbraw/zinc/15/03/28/541150328.db2.gz CVRCUAZZERAEGM-UHFFFAOYSA-N 2 0 260.425 2.944 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000666842315 541150984 /nfs/dbraw/zinc/15/09/84/541150984.db2.gz WCSVKEFWGGEFIA-QGZVFWFLSA-N 2 0 276.424 2.955 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666855472 541152670 /nfs/dbraw/zinc/15/26/70/541152670.db2.gz UNNKRJPEGYVBAB-OAHLLOKOSA-N 2 0 273.355 2.606 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858138 541153459 /nfs/dbraw/zinc/15/34/59/541153459.db2.gz ZMUMTPDPBHXVRU-MRXNPFEDSA-N 2 0 274.408 2.707 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000666857969 541153712 /nfs/dbraw/zinc/15/37/12/541153712.db2.gz RIMVLUIOAMJZIP-VIFPVBQESA-N 2 0 278.343 2.999 20 0 CFADRP Clc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666952413 541166011 /nfs/dbraw/zinc/16/60/11/541166011.db2.gz VPAMUUGLKZHVFB-JTQLQIEISA-N 2 0 256.802 2.633 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952334 541166018 /nfs/dbraw/zinc/16/60/18/541166018.db2.gz RUXDMMZDKZWTPD-DJYNDVHFSA-N 2 0 260.356 2.571 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666952162 541166104 /nfs/dbraw/zinc/16/61/04/541166104.db2.gz HZYKMLSDBGCROW-ZBFHGGJFSA-N 2 0 258.409 2.912 20 0 CFADRP Fc1ccc2nc(C[NH2+][C@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000666954253 541166390 /nfs/dbraw/zinc/16/63/90/541166390.db2.gz STMKLLJWEPMRFF-ZDUSSCGKSA-N 2 0 291.395 2.667 20 0 CFADRP c1ccc(OCCCC[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954537 541166546 /nfs/dbraw/zinc/16/65/46/541166546.db2.gz XMNIIGMAXWPTPZ-MRXNPFEDSA-N 2 0 274.408 2.577 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000666954621 541167212 /nfs/dbraw/zinc/16/72/12/541167212.db2.gz YYOSGWNXCUNOTB-SWLSCSKDSA-N 2 0 262.372 2.661 20 0 CFADRP COc1cccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1F ZINC000666968947 541168779 /nfs/dbraw/zinc/16/87/79/541168779.db2.gz MBCNZTZHZCGVGB-DZGCQCFKSA-N 2 0 292.398 2.798 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000666995469 541171200 /nfs/dbraw/zinc/17/12/00/541171200.db2.gz OOROHABLGOAYEB-GOEBONIOSA-N 2 0 290.455 2.659 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000666995471 541171643 /nfs/dbraw/zinc/17/16/43/541171643.db2.gz OOROHABLGOAYEB-ZBFHGGJFSA-N 2 0 290.455 2.659 20 0 CFADRP C[C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C[C@@H]1C[NH3+] ZINC000667039977 541178089 /nfs/dbraw/zinc/17/80/89/541178089.db2.gz DMNTYBBORIQUAC-GJZGRUSLSA-N 2 0 260.425 2.881 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C)n2C)CC1 ZINC000667501693 541245968 /nfs/dbraw/zinc/24/59/68/541245968.db2.gz HJADKBMIZZVURQ-UHFFFAOYSA-N 2 0 292.471 2.672 20 0 CFADRP Cc1cc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc[nH+]1 ZINC000302208266 201398037 /nfs/dbraw/zinc/39/80/37/201398037.db2.gz AXMACBLAOTZBFO-MRXNPFEDSA-N 2 0 277.412 2.549 20 0 CFADRP COc1cc2cc[nH+]c(NCCn3ccnc3)c2cc1OC ZINC000319633430 541270190 /nfs/dbraw/zinc/27/01/90/541270190.db2.gz OCMWFZDFJRVCIX-UHFFFAOYSA-N 2 0 298.346 2.561 20 0 CFADRP Cc1ncc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)n1C ZINC000667662278 541282521 /nfs/dbraw/zinc/28/25/21/541282521.db2.gz DBXXXUVAKKXOHQ-RDTXWAMCSA-N 2 0 299.418 2.999 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000188124766 189491315 /nfs/dbraw/zinc/49/13/15/189491315.db2.gz YFZFIKIPAFMOKE-GDBMZVCRSA-N 2 0 296.430 2.703 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668075237 541378897 /nfs/dbraw/zinc/37/88/97/541378897.db2.gz MZGOBHWOBHAEQB-INIZCTEOSA-N 2 0 277.412 2.610 20 0 CFADRP Cc1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)n1C ZINC000668092146 541380322 /nfs/dbraw/zinc/38/03/22/541380322.db2.gz YQIBREKZWLLWOQ-LDYMZIIASA-N 2 0 261.291 2.501 20 0 CFADRP c1nc2n(c1C[N@@H+]1CC3(CCC3)[C@@H]1C1CC1)CCC2 ZINC000668177842 541394542 /nfs/dbraw/zinc/39/45/42/541394542.db2.gz HQYCDNAZUAHVBP-HNNXBMFYSA-N 2 0 257.381 2.594 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(F)c(F)c1F ZINC000668172463 541393067 /nfs/dbraw/zinc/39/30/67/541393067.db2.gz OJRPPEOBMRQWIY-GWCFXTLKSA-N 2 0 286.341 2.876 20 0 CFADRP CC(C)(C)CC(C)(C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433177683 240117603 /nfs/dbraw/zinc/11/76/03/240117603.db2.gz VIDQGESVESZXFW-UHFFFAOYSA-N 2 0 297.487 2.521 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435377932 240306770 /nfs/dbraw/zinc/30/67/70/240306770.db2.gz BHKGCKOIUFQKNZ-CQSZACIVSA-N 2 0 297.402 2.538 20 0 CFADRP C[NH2+]C1CC[NH+](C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000435370283 240307404 /nfs/dbraw/zinc/30/74/04/240307404.db2.gz IHOSGOVUPMDDPH-CYBMUJFWSA-N 2 0 294.414 2.697 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435617344 240333139 /nfs/dbraw/zinc/33/31/39/240333139.db2.gz OYFLNNNZDWEHEG-MRXNPFEDSA-N 2 0 276.424 2.838 20 0 CFADRP CC[N@H+](CCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623043 240333711 /nfs/dbraw/zinc/33/37/11/240333711.db2.gz BLXNSNFKKBAADR-OAHLLOKOSA-N 2 0 292.423 2.538 20 0 CFADRP CSc1ccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435625219 240334496 /nfs/dbraw/zinc/33/44/96/240334496.db2.gz ZUKJIADNNGJNCB-AWEZNQCLSA-N 2 0 294.464 2.861 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[C@@H]([NH3+])c2ccccc2)n1 ZINC000435906583 240369394 /nfs/dbraw/zinc/36/93/94/240369394.db2.gz LBSMRPXGZXLYLF-FPMFFAJLSA-N 2 0 288.395 2.919 20 0 CFADRP CC[N@H+]1C[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000435744732 240347694 /nfs/dbraw/zinc/34/76/94/240347694.db2.gz HFIJAYPVOPDQAT-SZMVWBNQSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435438019 240314689 /nfs/dbraw/zinc/31/46/89/240314689.db2.gz NINOCWQAWZQKDE-QDLOVBKTSA-N 2 0 262.372 2.913 20 0 CFADRP CCOc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435438265 240315935 /nfs/dbraw/zinc/31/59/35/240315935.db2.gz OULYIMWZMTYYFH-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000275335188 193002588 /nfs/dbraw/zinc/00/25/88/193002588.db2.gz WTCVXEYGHLAPJE-MSOLQXFVSA-N 2 0 287.451 2.739 20 0 CFADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881387 241013133 /nfs/dbraw/zinc/01/31/33/241013133.db2.gz ZHJZEHLYBZECKE-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000442926104 241021398 /nfs/dbraw/zinc/02/13/98/241021398.db2.gz XTRUJVIBELSQBX-AWEZNQCLSA-N 2 0 284.407 2.638 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000443078952 241039176 /nfs/dbraw/zinc/03/91/76/241039176.db2.gz XTJYBZGAZMQSRC-GOSISDBHSA-N 2 0 290.451 2.697 20 0 CFADRP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444605337 241154811 /nfs/dbraw/zinc/15/48/11/241154811.db2.gz DEVSSVRHGCMTKI-NVXWUHKLSA-N 2 0 296.455 2.574 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC2CCC2)C[C@H]1C ZINC000445433241 241215745 /nfs/dbraw/zinc/21/57/45/241215745.db2.gz BOJXEOQKLWOKLW-ZBFHGGJFSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000447302598 241364869 /nfs/dbraw/zinc/36/48/69/241364869.db2.gz FMXVHBPPULMCIF-QEOTZNIISA-N 2 0 282.472 2.588 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]CCOCC[NH+](C)C)c1C ZINC000447600472 241391406 /nfs/dbraw/zinc/39/14/06/241391406.db2.gz MFTUYJYCDMUWCE-HNNXBMFYSA-N 2 0 264.413 2.532 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)COC2 ZINC000423280474 299366722 /nfs/dbraw/zinc/36/67/22/299366722.db2.gz SQRSTSCLCKRZAS-DXCKQFNASA-N 2 0 274.408 2.885 20 0 CFADRP COc1cc(F)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000449011514 241636493 /nfs/dbraw/zinc/63/64/93/241636493.db2.gz QQOSYKDKOCEAIP-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]C1 ZINC000262072485 291380680 /nfs/dbraw/zinc/38/06/80/291380680.db2.gz SDYPBHOUMWXFEU-HOTGVXAUSA-N 2 0 262.372 2.962 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc2ccoc21 ZINC000449219557 241775271 /nfs/dbraw/zinc/77/52/71/241775271.db2.gz DLWKKOUCVAXPDV-INIZCTEOSA-N 2 0 290.407 2.879 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(CO)CC3)CC2)C1 ZINC000449579358 242043551 /nfs/dbraw/zinc/04/35/51/242043551.db2.gz FIHSYYMSEAGDAR-DOTOQJQBSA-N 2 0 294.483 2.782 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc2nccn21 ZINC000449527810 242005148 /nfs/dbraw/zinc/00/51/48/242005148.db2.gz LDKPZTKVFFYZFR-UHFFFAOYSA-N 2 0 274.412 2.544 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000449551623 242020330 /nfs/dbraw/zinc/02/03/30/242020330.db2.gz GNZJNLQGVGLCPK-HZPDHXFCSA-N 2 0 276.399 2.893 20 0 CFADRP CSCc1cnc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000449560545 242033130 /nfs/dbraw/zinc/03/31/30/242033130.db2.gz MMPRBVBTZBAKGS-YOGCLGLASA-N 2 0 297.493 2.721 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(C)(C)C)[C@H](C)C1 ZINC000674909702 541605432 /nfs/dbraw/zinc/60/54/32/541605432.db2.gz RNMSEFSENSFWLD-CABCVRRESA-N 2 0 270.461 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(C)(C)C)C[C@@H]1C ZINC000674909502 541605786 /nfs/dbraw/zinc/60/57/86/541605786.db2.gz QLQRZGJAPCXVMR-GJZGRUSLSA-N 2 0 270.461 2.996 20 0 CFADRP CCc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000450343341 242367630 /nfs/dbraw/zinc/36/76/30/242367630.db2.gz DISVZDRQLXDARU-AWEZNQCLSA-N 2 0 259.397 2.566 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)CC[NH2+]1 ZINC000423370850 288567305 /nfs/dbraw/zinc/56/73/05/288567305.db2.gz DXMSZAKIPRULFR-DVOMOZLQSA-N 2 0 259.397 2.664 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000093944662 296120849 /nfs/dbraw/zinc/12/08/49/296120849.db2.gz VSDKCBAAWXMZMF-CQSZACIVSA-N 2 0 275.440 2.745 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000675744669 541687639 /nfs/dbraw/zinc/68/76/39/541687639.db2.gz SNGJURZJHRUSMP-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675769612 541691179 /nfs/dbraw/zinc/69/11/79/541691179.db2.gz BZNAOVKFLTZCOE-YVSFHVDLSA-N 2 0 295.515 2.673 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ccc(OC)c(F)c2)CC1 ZINC000675811744 541697547 /nfs/dbraw/zinc/69/75/47/541697547.db2.gz HPVCXPIGAVXYGF-UHFFFAOYSA-N 2 0 294.414 2.841 20 0 CFADRP Cc1nc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)nc2ccccc12 ZINC000675805474 541696855 /nfs/dbraw/zinc/69/68/55/541696855.db2.gz QVFZAVSFGOIMCF-ZDUSSCGKSA-N 2 0 298.434 2.758 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000453093755 243397604 /nfs/dbraw/zinc/39/76/04/243397604.db2.gz PFCBLUDVEDCDJW-DZGCQCFKSA-N 2 0 282.453 2.818 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCC1 ZINC000453106553 243403931 /nfs/dbraw/zinc/40/39/31/243403931.db2.gz GYKFOLFZDQDQOE-IRXDYDNUSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000675926572 541709772 /nfs/dbraw/zinc/70/97/72/541709772.db2.gz DFHHUADEGYKOLH-AWEZNQCLSA-N 2 0 273.424 2.649 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000675925305 541710194 /nfs/dbraw/zinc/71/01/94/541710194.db2.gz LNIXOUMESNPZAV-BBRMVZONSA-N 2 0 268.445 2.512 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000161630840 541726911 /nfs/dbraw/zinc/72/69/11/541726911.db2.gz HJFJDZXKOABWNN-HNNXBMFYSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423335709 296134136 /nfs/dbraw/zinc/13/41/36/296134136.db2.gz RWVGJPRKRAHKNC-CXAGYDPISA-N 2 0 293.430 2.932 20 0 CFADRP C[C@H]([NH2+][C@@H]1COC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417989996 299397601 /nfs/dbraw/zinc/39/76/01/299397601.db2.gz UFXWRWHYPDLLAA-KKUMJFAQSA-N 2 0 280.456 2.797 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000676716797 541782413 /nfs/dbraw/zinc/78/24/13/541782413.db2.gz XPTSXWLHPBSGOB-ARFHVFGLSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226436684 189775849 /nfs/dbraw/zinc/77/58/49/189775849.db2.gz BEPZXYUVMWWNII-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000269030389 541800979 /nfs/dbraw/zinc/80/09/79/541800979.db2.gz ROHDDBWMOUHRFU-HNNXBMFYSA-N 2 0 250.361 2.744 20 0 CFADRP CC(C)OC1CC([N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000459353083 245154816 /nfs/dbraw/zinc/15/48/16/245154816.db2.gz IAHKXHJBXFLJSV-KLAILNCOSA-N 2 0 280.456 2.606 20 0 CFADRP c1cc(C2CC2)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000459374655 245159789 /nfs/dbraw/zinc/15/97/89/245159789.db2.gz LPAJSQGBEPMWPJ-UHFFFAOYSA-N 2 0 288.435 2.766 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000422899284 299417723 /nfs/dbraw/zinc/41/77/23/299417723.db2.gz OEQMBJBYUNMMPH-XKQJLSEDSA-N 2 0 258.409 2.910 20 0 CFADRP C[N@H+](CCc1cccc(Cl)c1)C[C@@H]1CC[NH+](C)C1 ZINC000459501971 245202530 /nfs/dbraw/zinc/20/25/30/245202530.db2.gz FQMZEFXBCPSLAH-AWEZNQCLSA-N 2 0 266.816 2.766 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459563623 245220837 /nfs/dbraw/zinc/22/08/37/245220837.db2.gz DOXAWZYYOLOMCU-YOEHRIQHSA-N 2 0 273.424 2.932 20 0 CFADRP Cc1nc(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000459657344 245259714 /nfs/dbraw/zinc/25/97/14/245259714.db2.gz HVODHVNKISBGJC-UHFFFAOYSA-N 2 0 272.377 2.697 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459663835 245262033 /nfs/dbraw/zinc/26/20/33/245262033.db2.gz YRMSOBUJQWSZGF-GFCCVEGCSA-N 2 0 255.321 2.648 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000459625039 245247903 /nfs/dbraw/zinc/24/79/03/245247903.db2.gz AHCBTHXEBGLVKP-WOVMCDHWSA-N 2 0 280.456 2.941 20 0 CFADRP CCc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000459729287 245287050 /nfs/dbraw/zinc/28/70/50/245287050.db2.gz IYGITLUNGSPJSB-CYBMUJFWSA-N 2 0 250.386 2.664 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000459728599 245288003 /nfs/dbraw/zinc/28/80/03/245288003.db2.gz ILEKQTGQVDAKCH-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)ccc2F)C1 ZINC000459732675 245291394 /nfs/dbraw/zinc/29/13/94/245291394.db2.gz MNLNSWVWOJXTJT-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP COC1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459692814 245274415 /nfs/dbraw/zinc/27/44/15/245274415.db2.gz WFRNDFFSBFZGPS-UHFFFAOYSA-N 2 0 289.423 2.598 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459721792 245285797 /nfs/dbraw/zinc/28/57/97/245285797.db2.gz AXRCZACOOJYRKT-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459779789 245322377 /nfs/dbraw/zinc/32/23/77/245322377.db2.gz LOXASNUNKFCTGM-ZBFHGGJFSA-N 2 0 276.424 2.645 20 0 CFADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C)CC1)c1ccccc1 ZINC000019905947 372205763 /nfs/dbraw/zinc/20/57/63/372205763.db2.gz FOBCAKXAQPGXMR-GOSISDBHSA-N 2 0 289.467 2.753 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000019905795 372206025 /nfs/dbraw/zinc/20/60/25/372206025.db2.gz NXNGPTIJLFKZHY-CYBMUJFWSA-N 2 0 264.413 2.934 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000036908395 372609808 /nfs/dbraw/zinc/60/98/08/372609808.db2.gz IHXCVSSIFXQSPM-DIECFANBSA-N 2 0 283.504 2.671 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000037762803 372699391 /nfs/dbraw/zinc/69/93/91/372699391.db2.gz OKDYZMXPXMSGCS-CKEIUWERSA-N 2 0 276.424 2.651 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000037644527 372682378 /nfs/dbraw/zinc/68/23/78/372682378.db2.gz PNCFRVOFOIQNCM-LSDHHAIUSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649295 372684093 /nfs/dbraw/zinc/68/40/93/372684093.db2.gz DPWSGHMEOMACHW-NWDGAFQWSA-N 2 0 250.411 2.883 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649010 372685396 /nfs/dbraw/zinc/68/53/96/372685396.db2.gz PERAAGXAVNCYPO-ZIAGYGMSSA-N 2 0 262.397 2.675 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000037649157 372685411 /nfs/dbraw/zinc/68/54/11/372685411.db2.gz WWFIXICTRKBZGZ-STQMWFEESA-N 2 0 260.381 2.527 20 0 CFADRP COc1ccc([C@H]([NH2+]CCC[NH3+])c2ccccc2)cc1 ZINC000037713570 372691123 /nfs/dbraw/zinc/69/11/23/372691123.db2.gz FPPIZAYLTYTRPV-QGZVFWFLSA-N 2 0 270.376 2.723 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037864210 372729656 /nfs/dbraw/zinc/72/96/56/372729656.db2.gz COEGNKDRMUFRGW-CQSZACIVSA-N 2 0 281.403 2.809 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037778545 372706553 /nfs/dbraw/zinc/70/65/53/372706553.db2.gz ACFWTFBRRPCUEL-HZTRTUMWSA-N 2 0 288.435 2.841 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786474 372709618 /nfs/dbraw/zinc/70/96/18/372709618.db2.gz RQMNJIJHCYKUDM-LSDHHAIUSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(Br)s1 ZINC000038003353 372758198 /nfs/dbraw/zinc/75/81/98/372758198.db2.gz WOCCIOXYNNQVJY-QMMMGPOBSA-N 2 0 277.231 2.900 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000042519679 372932101 /nfs/dbraw/zinc/93/21/01/372932101.db2.gz GPKLESPUKLGXCE-CYBMUJFWSA-N 2 0 252.427 2.958 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044532534 373003799 /nfs/dbraw/zinc/00/37/99/373003799.db2.gz AAPXAAMDXAGVKQ-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000044537125 373003867 /nfs/dbraw/zinc/00/38/67/373003867.db2.gz WHEYXPLXBNFDAW-GFCCVEGCSA-N 2 0 252.427 2.742 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(F)ccc1F ZINC000045663268 373026323 /nfs/dbraw/zinc/02/63/23/373026323.db2.gz KFUTYLSVLAPPGY-NSHDSACASA-N 2 0 256.340 2.957 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c(OC)c1 ZINC000045663247 373026666 /nfs/dbraw/zinc/02/66/66/373026666.db2.gz ZNYNSBQBDWRUGC-CYBMUJFWSA-N 2 0 280.412 2.696 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663835 373027017 /nfs/dbraw/zinc/02/70/17/373027017.db2.gz IYBQYACZOZSOOM-CYBMUJFWSA-N 2 0 277.412 2.637 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000045663152 373027317 /nfs/dbraw/zinc/02/73/17/373027317.db2.gz BMJGVRSQBWOKFR-NSHDSACASA-N 2 0 256.340 2.957 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000571374918 383687685 /nfs/dbraw/zinc/68/76/85/383687685.db2.gz BITPHSALFOUULG-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP CCn1ccnc1C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000051920831 373419134 /nfs/dbraw/zinc/41/91/34/373419134.db2.gz QYVNSPUVBGYYAR-CQSZACIVSA-N 2 0 266.433 2.503 20 0 CFADRP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000050597684 373381591 /nfs/dbraw/zinc/38/15/91/373381591.db2.gz NOEYTISQJHEQRW-XYPWUTKMSA-N 2 0 274.408 2.718 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCOC(C)C)CC1 ZINC000052208993 373442652 /nfs/dbraw/zinc/44/26/52/373442652.db2.gz NBZDDANDBQOJOK-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000053659083 373483198 /nfs/dbraw/zinc/48/31/98/373483198.db2.gz BQNUJSUMCPKDBQ-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123548315 220212561 /nfs/dbraw/zinc/21/25/61/220212561.db2.gz AYXJDNWAYFULSC-UHFFFAOYSA-N 2 0 279.428 2.845 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000123530820 220212907 /nfs/dbraw/zinc/21/29/07/220212907.db2.gz PSAZLBRHMZVLBW-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000062050387 373742748 /nfs/dbraw/zinc/74/27/48/373742748.db2.gz ASMXRXPPTQBPKO-HIFRSBDPSA-N 2 0 264.388 2.688 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000062078401 373746965 /nfs/dbraw/zinc/74/69/65/373746965.db2.gz APNOHEMHVBIBGO-HOTGVXAUSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3ccccc3)C2)C1 ZINC000063527763 373809693 /nfs/dbraw/zinc/80/96/93/373809693.db2.gz CBMZXQZHRAIWQC-KRWDZBQOSA-N 2 0 258.409 2.647 20 0 CFADRP CCOc1cccc(C[NH+]2CCC(C[NH2+]C)CC2)c1 ZINC000063159109 373788386 /nfs/dbraw/zinc/78/83/86/373788386.db2.gz WBIBAYDXFVFNBF-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197532 373794222 /nfs/dbraw/zinc/79/42/22/373794222.db2.gz RYTRIMNPFDXBEW-CQSZACIVSA-N 2 0 250.411 2.712 20 0 CFADRP Fc1cccc(F)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197705 373795260 /nfs/dbraw/zinc/79/52/60/373795260.db2.gz QUHPQUYTABLQNR-INIZCTEOSA-N 2 0 280.362 2.929 20 0 CFADRP Fc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063200050 373796995 /nfs/dbraw/zinc/79/69/95/373796995.db2.gz DEWRYOWQUKKVSP-KRWDZBQOSA-N 2 0 292.398 2.669 20 0 CFADRP c1ccc(OCCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063201024 373797316 /nfs/dbraw/zinc/79/73/16/373797316.db2.gz YCSLGBXFDKCGFX-SFHVURJKSA-N 2 0 288.435 2.920 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000063221614 373800162 /nfs/dbraw/zinc/80/01/62/373800162.db2.gz MLSCTHZMTWHBFD-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000070171045 374137021 /nfs/dbraw/zinc/13/70/21/374137021.db2.gz LFFRIPQFUOEIGZ-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000070171618 374137341 /nfs/dbraw/zinc/13/73/41/374137341.db2.gz WIOQTYVXAYQLQZ-YPMHNXCESA-N 2 0 284.350 2.847 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000070344097 374168509 /nfs/dbraw/zinc/16/85/09/374168509.db2.gz VCARMYLATNPUPJ-RDJZCZTQSA-N 2 0 276.424 2.666 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070975977 374208450 /nfs/dbraw/zinc/20/84/50/374208450.db2.gz RJRZZQIPOIIKRN-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070498126 374188133 /nfs/dbraw/zinc/18/81/33/374188133.db2.gz BSOPSEJBWCNRSV-SUMWQHHRSA-N 2 0 258.409 2.735 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000070534423 374189464 /nfs/dbraw/zinc/18/94/64/374189464.db2.gz VTXUKHHGESMWTM-NSHDSACASA-N 2 0 254.324 2.526 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000070534514 374191061 /nfs/dbraw/zinc/19/10/61/374191061.db2.gz WUMZGHWMFNJZGV-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(F)c2cccnc12)C[NH+](C)C ZINC000491589161 246084147 /nfs/dbraw/zinc/08/41/47/246084147.db2.gz OJBVUVCZKGISGT-LBPRGKRZSA-N 2 0 275.371 2.661 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000491542251 246077975 /nfs/dbraw/zinc/07/79/75/246077975.db2.gz BZPBNXWHNHQRNJ-UHFFFAOYSA-N 2 0 292.333 2.711 20 0 CFADRP Cc1nc2ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc2s1 ZINC000491542609 246078191 /nfs/dbraw/zinc/07/81/91/246078191.db2.gz DQLPGHPJEMPKOR-NSHDSACASA-N 2 0 277.437 2.892 20 0 CFADRP Cc1nc2ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc2s1 ZINC000491542598 246078817 /nfs/dbraw/zinc/07/88/17/246078817.db2.gz DQLPGHPJEMPKOR-LLVKDONJSA-N 2 0 277.437 2.892 20 0 CFADRP Cc1ccc(C[N@H+](CCn2ccnc2C)C2CC2)o1 ZINC000677980851 541931329 /nfs/dbraw/zinc/93/13/29/541931329.db2.gz LMXNQCAJLUGJDT-UHFFFAOYSA-N 2 0 259.353 2.758 20 0 CFADRP C[C@H](CO)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000678044890 541941259 /nfs/dbraw/zinc/94/12/59/541941259.db2.gz UUZSYVZUPSWQPQ-JKSUJKDBSA-N 2 0 282.472 2.591 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000678073366 541946612 /nfs/dbraw/zinc/94/66/12/541946612.db2.gz RYFXCERULRUGOU-KZNAEPCWSA-N 2 0 299.462 2.539 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccco2)cc1 ZINC000678124155 541957110 /nfs/dbraw/zinc/95/71/10/541957110.db2.gz SHOUTKJQSWWQNH-UHFFFAOYSA-N 2 0 288.391 2.852 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)COC ZINC000678161512 541964514 /nfs/dbraw/zinc/96/45/14/541964514.db2.gz HNZFPFNGMNFHFO-CQSZACIVSA-N 2 0 264.413 2.605 20 0 CFADRP CCOCC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000678215964 541972502 /nfs/dbraw/zinc/97/25/02/541972502.db2.gz LRXPRESZIZOQLH-UHFFFAOYSA-N 2 0 264.413 2.607 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCCO1 ZINC000678212480 541972733 /nfs/dbraw/zinc/97/27/33/541972733.db2.gz ZWRKYLBENPDEKR-KRWDZBQOSA-N 2 0 276.424 2.749 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCCO1 ZINC000678212481 541972976 /nfs/dbraw/zinc/97/29/76/541972976.db2.gz ZWRKYLBENPDEKR-QGZVFWFLSA-N 2 0 276.424 2.749 20 0 CFADRP CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422961550 284477103 /nfs/dbraw/zinc/47/71/03/284477103.db2.gz ZDWRJMZRBKFSMA-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c2O1 ZINC000080510069 374658037 /nfs/dbraw/zinc/65/80/37/374658037.db2.gz NCXMLODCHSGIJK-AWEZNQCLSA-N 2 0 288.435 2.961 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000085401308 374802445 /nfs/dbraw/zinc/80/24/45/374802445.db2.gz UBLMRHMWNNDPEF-JKSUJKDBSA-N 2 0 282.472 2.758 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000084475280 374778082 /nfs/dbraw/zinc/77/80/82/374778082.db2.gz GDYFZAFFWMTTFX-AWEZNQCLSA-N 2 0 284.325 2.891 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1F ZINC000089144746 374873372 /nfs/dbraw/zinc/87/33/72/374873372.db2.gz CDIBEJDTAGTSNA-ZOWXZIJZSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000089139863 374873468 /nfs/dbraw/zinc/87/34/68/374873468.db2.gz DKBLYCYMEDNOPN-LNSITVRQSA-N 2 0 250.361 2.994 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089147948 374875276 /nfs/dbraw/zinc/87/52/76/374875276.db2.gz YSSBSQPQZIXLGG-HZPDHXFCSA-N 2 0 271.408 2.748 20 0 CFADRP COCc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000088566979 374852371 /nfs/dbraw/zinc/85/23/71/374852371.db2.gz ARZDGJKDGWJVKI-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP c1csc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000089749261 374944716 /nfs/dbraw/zinc/94/47/16/374944716.db2.gz KAEKXMLHPOIFGQ-GFCCVEGCSA-N 2 0 250.411 2.712 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000089425589 374903371 /nfs/dbraw/zinc/90/33/71/374903371.db2.gz FUWDZMXHAANSJH-SFHVURJKSA-N 3 0 295.515 2.915 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000090339674 375008554 /nfs/dbraw/zinc/00/85/54/375008554.db2.gz SIHKYRHXCVXWMW-WWTUQBGBSA-N 2 0 274.408 2.971 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)CC[N@@H+]1C ZINC000090721624 375026780 /nfs/dbraw/zinc/02/67/80/375026780.db2.gz AFMKUGNNSUPJFG-AAEUAGOBSA-N 2 0 290.436 2.711 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(Cc2cscc2Cl)C1 ZINC000678265013 541989841 /nfs/dbraw/zinc/98/98/41/541989841.db2.gz VQLRIPGBFSUPOK-JTQLQIEISA-N 2 0 258.818 2.785 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450865 375243833 /nfs/dbraw/zinc/24/38/33/375243833.db2.gz MWDDIGMOJBZCQM-IXDOHACOSA-N 2 0 274.408 2.706 20 0 CFADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491530 375253940 /nfs/dbraw/zinc/25/39/40/375253940.db2.gz VZALLHFSFUBBLM-MELADBBJSA-N 2 0 279.453 2.852 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000093688647 375297239 /nfs/dbraw/zinc/29/72/39/375297239.db2.gz LKWXOCBZFHNGLL-UHFFFAOYSA-N 2 0 276.424 2.946 20 0 CFADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000093874086 375327697 /nfs/dbraw/zinc/32/76/97/375327697.db2.gz BBRONARAQVTVFF-UHFFFAOYSA-N 2 0 297.830 2.585 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1nccs1 ZINC000093516441 375262164 /nfs/dbraw/zinc/26/21/64/375262164.db2.gz PNFBHJSMNAYHAK-OLZOCXBDSA-N 2 0 267.442 2.586 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010883 375335805 /nfs/dbraw/zinc/33/58/05/375335805.db2.gz CYOLYKRMVLWBCI-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000094338798 375352399 /nfs/dbraw/zinc/35/23/99/375352399.db2.gz SYIMJFIBMBYVMD-BBRMVZONSA-N 2 0 262.397 2.643 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094342298 375354197 /nfs/dbraw/zinc/35/41/97/375354197.db2.gz PWBATTBYXXZUTR-WBVHZDCISA-N 2 0 276.424 2.741 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094342299 375354464 /nfs/dbraw/zinc/35/44/64/375354464.db2.gz PWBATTBYXXZUTR-NVXWUHKLSA-N 2 0 276.424 2.741 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000094692743 375373643 /nfs/dbraw/zinc/37/36/43/375373643.db2.gz GIVASZCZSOTEAE-CQSZACIVSA-N 2 0 284.403 2.890 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CCN(C4CC4)C3)ccc2n1 ZINC000097861577 375585627 /nfs/dbraw/zinc/58/56/27/375585627.db2.gz GZAJUEVHIUHRLV-MRXNPFEDSA-N 2 0 281.403 2.870 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC3CC[NH+](C)CC3)ccc2n1 ZINC000097861571 375586199 /nfs/dbraw/zinc/58/61/99/375586199.db2.gz WCDPWXSHQIQHAH-UHFFFAOYSA-N 2 0 283.419 2.975 20 0 CFADRP CCOC(=O)CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229603 375723708 /nfs/dbraw/zinc/72/37/08/375723708.db2.gz MEHKETUERPDQED-INIZCTEOSA-N 2 0 296.455 2.528 20 0 CFADRP Cc1cccc(NC[C@H]2CC[N@H+](CCc3ccccn3)C2)n1 ZINC000103474062 375749417 /nfs/dbraw/zinc/74/94/17/375749417.db2.gz BOAJDLJPQDRVFV-MRXNPFEDSA-N 2 0 296.418 2.762 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598620 542049185 /nfs/dbraw/zinc/04/91/85/542049185.db2.gz SZMUGDGQHKCVAF-KBMXLJTQSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1CC[NH+](C)CC1 ZINC000678598218 542049298 /nfs/dbraw/zinc/04/92/98/542049298.db2.gz FAPJEFFEGPVGRK-JGNHQEBTSA-N 2 0 284.447 2.892 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000678602720 542050754 /nfs/dbraw/zinc/05/07/54/542050754.db2.gz FMFRGPWCHHVJTL-SJORKVTESA-N 3 0 295.515 2.674 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000277980403 193809788 /nfs/dbraw/zinc/80/97/88/193809788.db2.gz BLIMMTRYFIAJDQ-ZDUSSCGKSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000111611922 375858462 /nfs/dbraw/zinc/85/84/62/375858462.db2.gz AWHMQHTYQYKABO-AWEZNQCLSA-N 2 0 262.397 2.515 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112204779 375890716 /nfs/dbraw/zinc/89/07/16/375890716.db2.gz LRPAWCPRSHOGMC-OCQNNJOQSA-N 2 0 256.393 2.916 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000678805828 542073326 /nfs/dbraw/zinc/07/33/26/542073326.db2.gz GBQLPTHRQSBPSD-MRXNPFEDSA-N 2 0 292.471 2.971 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000118966817 376329575 /nfs/dbraw/zinc/32/95/75/376329575.db2.gz WLQGEDCUBUQSLS-JQHSSLGASA-N 2 0 289.467 2.528 20 0 CFADRP CCc1noc(C)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119428661 376411659 /nfs/dbraw/zinc/41/16/59/376411659.db2.gz FVFUZYGYCNSCJM-HNNXBMFYSA-N 2 0 291.439 2.853 20 0 CFADRP COCCN1CCC([NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000119424237 376412829 /nfs/dbraw/zinc/41/28/29/376412829.db2.gz JFUCBSWQYARNFI-MRXNPFEDSA-N 2 0 294.464 2.900 20 0 CFADRP CCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119691771 376454043 /nfs/dbraw/zinc/45/40/43/376454043.db2.gz VJWXRSFBODDFBH-JWTNVVGKSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000262663060 190060056 /nfs/dbraw/zinc/06/00/56/190060056.db2.gz NNCNLRWVDJVGFP-MRXNPFEDSA-N 2 0 289.423 2.594 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120910837 376720333 /nfs/dbraw/zinc/72/03/33/376720333.db2.gz WYAKBSGVJKRVLR-DZGCQCFKSA-N 2 0 295.496 2.591 20 0 CFADRP CC[C@@H](COC)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000120753904 376683189 /nfs/dbraw/zinc/68/31/89/376683189.db2.gz OHPVTKNGWRLIKW-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678932095 542094660 /nfs/dbraw/zinc/09/46/60/542094660.db2.gz WSSSZDBTBXVTBH-MRXNPFEDSA-N 2 0 278.346 2.804 20 0 CFADRP Cc1ncc(C[NH2+]C2(c3ccc(F)cc3)CC2)n1C ZINC000571658647 383715066 /nfs/dbraw/zinc/71/50/66/383715066.db2.gz PCYCFMPHMZCUPD-UHFFFAOYSA-N 2 0 259.328 2.647 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000678940250 542096950 /nfs/dbraw/zinc/09/69/50/542096950.db2.gz BKUUADYZYROCOQ-UHFFFAOYSA-N 2 0 258.409 2.816 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CC[NH+](C)CC1 ZINC000679078378 542118189 /nfs/dbraw/zinc/11/81/89/542118189.db2.gz LDIQPRSDWSVVCL-SVGFKBNWSA-N 2 0 292.467 2.654 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121405868 376825954 /nfs/dbraw/zinc/82/59/54/376825954.db2.gz ZRYOTAJGHKSUOR-TWMKSMIVSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cncs2)CC1 ZINC000121700935 376886790 /nfs/dbraw/zinc/88/67/90/376886790.db2.gz NWQYLXBYNVBJHX-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP COCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121734076 376894081 /nfs/dbraw/zinc/89/40/81/376894081.db2.gz UYUHCEMOYNNUNU-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCOCC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123002428 376942562 /nfs/dbraw/zinc/94/25/62/376942562.db2.gz MHSRBKRUDZSAMK-YHUYYLMFSA-N 2 0 268.445 2.749 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000249966884 284607441 /nfs/dbraw/zinc/60/74/41/284607441.db2.gz NXPGJHCADIMMKX-HRCADAONSA-N 2 0 297.487 2.521 20 0 CFADRP C[NH2+]C[C@@H]1CCCN1Cc1ccc(OC(C)C)cc1 ZINC000123620866 376961803 /nfs/dbraw/zinc/96/18/03/376961803.db2.gz NZQIBGSKUYWUMN-HNNXBMFYSA-N 2 0 262.397 2.658 20 0 CFADRP C[N@H+](CCCOc1ccccc1)CC[C@@H]1CCC[NH+]1C ZINC000124912092 377102037 /nfs/dbraw/zinc/10/20/37/377102037.db2.gz RSXLVAAYZGCSSP-INIZCTEOSA-N 2 0 276.424 2.872 20 0 CFADRP CN(CCC[NH+]1CCCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000125275220 377136030 /nfs/dbraw/zinc/13/60/30/377136030.db2.gz GWMQUSJCPFIRBR-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP CC(C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000125480824 377160544 /nfs/dbraw/zinc/16/05/44/377160544.db2.gz SROILJHODUOLJP-ZDUSSCGKSA-N 2 0 279.403 2.637 20 0 CFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000128424474 377337026 /nfs/dbraw/zinc/33/70/26/377337026.db2.gz DOLRATZZIGDXRF-KRWDZBQOSA-N 2 0 286.423 2.678 20 0 CFADRP CCOc1ccc(OCC[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000128451540 377337223 /nfs/dbraw/zinc/33/72/23/377337223.db2.gz RRTYHYGZFPIUCY-QGZVFWFLSA-N 2 0 294.439 2.769 20 0 CFADRP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000127316362 377274832 /nfs/dbraw/zinc/27/48/32/377274832.db2.gz NKGWCISIWGXLOQ-DLBZAZTESA-N 2 0 289.467 2.590 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000128984588 377369017 /nfs/dbraw/zinc/36/90/17/377369017.db2.gz AELHNESJJWSBQG-RRFJBIMHSA-N 2 0 292.423 2.535 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000129065826 377379608 /nfs/dbraw/zinc/37/96/08/377379608.db2.gz KSLNGFOQYYIKQC-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000129456871 377429040 /nfs/dbraw/zinc/42/90/40/377429040.db2.gz ZPCFMFQDCAIJSG-KRWDZBQOSA-N 2 0 288.435 2.628 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129238707 377402651 /nfs/dbraw/zinc/40/26/51/377402651.db2.gz OWXMJZYGJPJJCF-ZDUSSCGKSA-N 2 0 272.314 2.937 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000130209745 377521640 /nfs/dbraw/zinc/52/16/40/377521640.db2.gz YKUKZFRNABGVOQ-GOEBONIOSA-N 2 0 276.424 2.700 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000130505751 377568842 /nfs/dbraw/zinc/56/88/42/377568842.db2.gz MNMHYCRYSUXVBG-BBWFWOEESA-N 2 0 258.409 2.863 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000679394262 542186930 /nfs/dbraw/zinc/18/69/30/542186930.db2.gz ZYHJHRPGPYCGTN-XJKSGUPXSA-N 2 0 262.397 2.554 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000130549610 377574730 /nfs/dbraw/zinc/57/47/30/377574730.db2.gz OSXPUALOHDUILS-XBVQOTNRSA-N 2 0 258.409 2.849 20 0 CFADRP CCOc1cccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000130489671 377566533 /nfs/dbraw/zinc/56/65/33/377566533.db2.gz YUJSJKXJKGJKOE-ZBFHGGJFSA-N 2 0 291.439 2.642 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C)c2)[C@H](C)C1 ZINC000130722097 377600249 /nfs/dbraw/zinc/60/02/49/377600249.db2.gz DMIWXYXGOVUWSS-NVXWUHKLSA-N 2 0 260.425 2.857 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC)c2ccccc2)[C@H](C)C1 ZINC000131432997 377711424 /nfs/dbraw/zinc/71/14/24/377711424.db2.gz DSISWTKGROBMSL-OIISXLGYSA-N 2 0 276.424 2.694 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCOCC2CC2)c2ccccc21 ZINC000131943019 377782619 /nfs/dbraw/zinc/78/26/19/377782619.db2.gz XCSGFNYYUJTTBT-HOTGVXAUSA-N 2 0 260.381 2.538 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1cc(Br)ccc1F ZINC000131904421 377775858 /nfs/dbraw/zinc/77/58/58/377775858.db2.gz MWFGFBOJXNJULG-SECBINFHSA-N 2 0 289.192 2.978 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132252064 377819141 /nfs/dbraw/zinc/81/91/41/377819141.db2.gz IPLWKRIUDIHTAC-LLVKDONJSA-N 2 0 272.314 2.795 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000132413558 377837439 /nfs/dbraw/zinc/83/74/39/377837439.db2.gz HCJCTYQJBPTZPR-TZMCWYRMSA-N 2 0 271.364 2.511 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCNc2ccccc2)CC[N@@H+]1C ZINC000132009255 377789648 /nfs/dbraw/zinc/78/96/48/377789648.db2.gz MZFRWOSZDSNNDB-GDBMZVCRSA-N 2 0 261.413 2.561 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132051817 377795163 /nfs/dbraw/zinc/79/51/63/377795163.db2.gz NGCYPVLYYRANHZ-VYDXJSESSA-N 2 0 275.440 2.807 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679722971 542230770 /nfs/dbraw/zinc/23/07/70/542230770.db2.gz ITXVDEKHZUDIDV-OAGGEKHMSA-N 2 0 282.472 2.780 20 0 CFADRP CN(c1ccccc1C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000132808539 377878922 /nfs/dbraw/zinc/87/89/22/377878922.db2.gz XNGLYGFTCYFNAD-UHFFFAOYSA-N 2 0 287.451 2.813 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000133037677 377896698 /nfs/dbraw/zinc/89/66/98/377896698.db2.gz IHCOMRASFSLENJ-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000571762905 383724240 /nfs/dbraw/zinc/72/42/40/383724240.db2.gz RMPCYTUCAVZNJS-CYBMUJFWSA-N 2 0 298.386 2.767 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000135424848 378129361 /nfs/dbraw/zinc/12/93/61/378129361.db2.gz QZWAODCNMPRMSD-HNNXBMFYSA-N 2 0 276.424 2.874 20 0 CFADRP c1ccc([C@H]2C[C@H]2C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000135611251 378149820 /nfs/dbraw/zinc/14/98/20/378149820.db2.gz PNDDXOVDEDUMPA-DLBZAZTESA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CN1C1CC1 ZINC000151085339 378293141 /nfs/dbraw/zinc/29/31/41/378293141.db2.gz BCUDYJKXDHYLTE-TZMCWYRMSA-N 2 0 269.392 2.883 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151143174 378300606 /nfs/dbraw/zinc/30/06/06/378300606.db2.gz QQIBMFJRJNMHNW-MRXNPFEDSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cncs1 ZINC000152762521 378444705 /nfs/dbraw/zinc/44/47/05/378444705.db2.gz UOJPYQPZZCIRMA-NSHDSACASA-N 2 0 276.409 2.569 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152671172 378437027 /nfs/dbraw/zinc/43/70/27/378437027.db2.gz VYJHENDTFALKCP-BZUAXINKSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000152664764 378437411 /nfs/dbraw/zinc/43/74/11/378437411.db2.gz KOQFJIZMOMHICD-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCCNc2ccccn2)CC1 ZINC000162829159 542239022 /nfs/dbraw/zinc/23/90/22/542239022.db2.gz JXWWSXGSBHSQDL-UHFFFAOYSA-N 2 0 290.455 2.738 20 0 CFADRP COC1(C[NH2+]C2CC[NH+](CC(C)C)CC2)CCCC1 ZINC000311703859 522626237 /nfs/dbraw/zinc/62/62/37/522626237.db2.gz MNETULYPHQGPLE-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154947399 378604428 /nfs/dbraw/zinc/60/44/28/378604428.db2.gz MRRSSHCFEHRXPV-DLBZAZTESA-N 2 0 289.467 2.590 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC000158587663 378669901 /nfs/dbraw/zinc/66/99/01/378669901.db2.gz DVRFCVMSGYPOJW-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccccn2)C1 ZINC000159015728 378680305 /nfs/dbraw/zinc/68/03/05/378680305.db2.gz MURLOMDCORKLFD-GJZGRUSLSA-N 2 0 261.413 2.853 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000159196503 378692490 /nfs/dbraw/zinc/69/24/90/378692490.db2.gz JXLIBCGJDWIAPY-AWEZNQCLSA-N 2 0 294.414 2.977 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000157087092 378649479 /nfs/dbraw/zinc/64/94/79/378649479.db2.gz KAELCGCRBFZKOO-CHWSQXEVSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1ccccn1 ZINC000159326307 378702206 /nfs/dbraw/zinc/70/22/06/378702206.db2.gz DRXRKKWSGJXFDI-CYBMUJFWSA-N 2 0 256.353 2.629 20 0 CFADRP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000162592948 378919622 /nfs/dbraw/zinc/91/96/22/378919622.db2.gz HDYARIKZGVNAMG-QGZVFWFLSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc2c(c1)OCO2 ZINC000163858111 378994052 /nfs/dbraw/zinc/99/40/52/378994052.db2.gz MGBGXKJJANXWLF-CYBMUJFWSA-N 2 0 299.374 2.963 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000335265952 378989636 /nfs/dbraw/zinc/98/96/36/378989636.db2.gz YDCFRWFMHODCEZ-XJKSGUPXSA-N 2 0 284.407 2.554 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000335269938 378997857 /nfs/dbraw/zinc/99/78/57/378997857.db2.gz LFYIRUULIRONEK-HTAVTVPLSA-N 2 0 264.335 2.839 20 0 CFADRP COc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000335279514 379017858 /nfs/dbraw/zinc/01/78/58/379017858.db2.gz QABCRNFSXRVTKW-CQSZACIVSA-N 2 0 274.408 2.659 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000335280532 379018779 /nfs/dbraw/zinc/01/87/79/379018779.db2.gz UTBQWUYTXPVACT-AWEZNQCLSA-N 2 0 274.408 2.659 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000335280533 379019121 /nfs/dbraw/zinc/01/91/21/379019121.db2.gz UTBQWUYTXPVACT-CQSZACIVSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164716028 379024193 /nfs/dbraw/zinc/02/41/93/379024193.db2.gz GRQWLPIUSBMGEV-WQGACYEGSA-N 2 0 282.378 2.826 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)CCCC1 ZINC000421827689 284740559 /nfs/dbraw/zinc/74/05/59/284740559.db2.gz YZLBTCAQUSSGIH-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000165977164 379045731 /nfs/dbraw/zinc/04/57/31/379045731.db2.gz OHPNNJYLZRHFKS-QILLFSRXSA-N 2 0 290.451 2.866 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1 ZINC000165958801 379046622 /nfs/dbraw/zinc/04/66/22/379046622.db2.gz AGJOAXTXXRUKFG-ZBFHGGJFSA-N 2 0 264.413 2.694 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000165979403 379047256 /nfs/dbraw/zinc/04/72/56/379047256.db2.gz HDFWXPMFRMWQTH-PBHICJAKSA-N 2 0 294.439 2.703 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000166037831 379050050 /nfs/dbraw/zinc/05/00/50/379050050.db2.gz LHEQCCJWTDSCSG-CZUORRHYSA-N 2 0 282.403 2.833 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)N(C3CC3)C1)CC2 ZINC000166261233 379053074 /nfs/dbraw/zinc/05/30/74/379053074.db2.gz QHVQNNWSAQUMIS-UVBSCNOISA-N 2 0 286.419 2.897 20 0 CFADRP CO[C@H]1CCN(Cc2c(C)oc3ccccc32)[C@@H](C[NH3+])C1 ZINC000167174004 379068619 /nfs/dbraw/zinc/06/86/19/379068619.db2.gz DCDISUMWPIYDMO-KGLIPLIRSA-N 2 0 288.391 2.679 20 0 CFADRP Cc1ccn2c(C[N@H+]3CCCC34CC[NH+](C)CC4)cnc2c1 ZINC000335328187 379098498 /nfs/dbraw/zinc/09/84/98/379098498.db2.gz JBCNZWBOPLHNER-UHFFFAOYSA-N 2 0 298.434 2.703 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000571872918 383734455 /nfs/dbraw/zinc/73/44/55/383734455.db2.gz OWRIEIXNLGAKRU-CQSZACIVSA-N 2 0 263.429 2.791 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000334394530 379219199 /nfs/dbraw/zinc/21/91/99/379219199.db2.gz AZQSZEYTVROBPB-CHWSQXEVSA-N 2 0 270.380 2.664 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2C)c1 ZINC000171380067 379293949 /nfs/dbraw/zinc/29/39/49/379293949.db2.gz ZSEFYDBVUTYILA-UHFFFAOYSA-N 2 0 286.423 2.550 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccncc3Cl)C2)C1 ZINC000334427550 379279029 /nfs/dbraw/zinc/27/90/29/379279029.db2.gz XDYHOTRHINHUIC-OAHLLOKOSA-N 2 0 279.815 2.653 20 0 CFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000335461720 379336112 /nfs/dbraw/zinc/33/61/12/379336112.db2.gz MMTFYUAAHNQLSB-ZDUSSCGKSA-N 2 0 295.224 2.554 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)CCc1cccs1 ZINC000171931296 379441651 /nfs/dbraw/zinc/44/16/51/379441651.db2.gz YTNKBOJNMGFLTL-UHFFFAOYSA-N 2 0 254.443 2.954 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000335502079 379411744 /nfs/dbraw/zinc/41/17/44/379411744.db2.gz UUYDXTSUMBHAFS-MRXNPFEDSA-N 2 0 260.356 2.712 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000571919653 383738440 /nfs/dbraw/zinc/73/84/40/383738440.db2.gz KBMBZCXUMMWISD-HNNXBMFYSA-N 2 0 283.504 2.959 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635219 379636182 /nfs/dbraw/zinc/63/61/82/379636182.db2.gz RYAKBWVKNQAAKG-KBPBESRZSA-N 2 0 264.438 2.878 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(OC)cc2)C1 ZINC000267072961 190301731 /nfs/dbraw/zinc/30/17/31/190301731.db2.gz LHZITTYGLZLZPO-KRWDZBQOSA-N 2 0 290.451 2.901 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335665531 379683402 /nfs/dbraw/zinc/68/34/02/379683402.db2.gz KVBDWIDAJPOINM-IRXDYDNUSA-N 2 0 292.467 2.896 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000267467740 190332675 /nfs/dbraw/zinc/33/26/75/190332675.db2.gz WENNLQZHDCVFEE-RRQGHBQHSA-N 2 0 294.414 2.521 20 0 CFADRP CCC[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OCC ZINC000529637182 383739816 /nfs/dbraw/zinc/73/98/16/383739816.db2.gz OWAHPGXKEJCDTO-QGZVFWFLSA-N 2 0 291.439 2.845 20 0 CFADRP Cc1nc2ccccn2c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335739215 379810712 /nfs/dbraw/zinc/81/07/12/379810712.db2.gz MCLXZJPVYDPCJW-DZGCQCFKSA-N 2 0 286.423 2.557 20 0 CFADRP CCn1c2ccc(F)cc2nc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000571936870 383740430 /nfs/dbraw/zinc/74/04/30/383740430.db2.gz INTQYCUPHGUOCG-DGCLKSJQSA-N 2 0 290.386 2.507 20 0 CFADRP Cc1csc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000335722671 379785412 /nfs/dbraw/zinc/78/54/12/379785412.db2.gz YKDOSZIWCFOSJX-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP COC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000173839536 379785824 /nfs/dbraw/zinc/78/58/24/379785824.db2.gz RMSCPOJHZHKWNH-HNNXBMFYSA-N 2 0 276.424 2.797 20 0 CFADRP [NH3+]C1CCN(Cc2ncc(-c3ccccc3)s2)CC1 ZINC000335760342 379843843 /nfs/dbraw/zinc/84/38/43/379843843.db2.gz ZUNHCZQQYADXGO-UHFFFAOYSA-N 2 0 273.405 2.733 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000174273074 379856225 /nfs/dbraw/zinc/85/62/25/379856225.db2.gz NDKJSCFHLAJOHS-GJZGRUSLSA-N 2 0 294.439 2.620 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1F ZINC000334842043 379929891 /nfs/dbraw/zinc/92/98/91/379929891.db2.gz JGWCDRBGSMCREH-CQSZACIVSA-N 2 0 250.361 2.612 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000174355046 379871072 /nfs/dbraw/zinc/87/10/72/379871072.db2.gz SUHNBAOSRSAJOZ-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP c1cn2c(cccc2C[N@@H+]2CCC[C@]3(CCCOC3)C2)n1 ZINC000335777412 379871699 /nfs/dbraw/zinc/87/16/99/379871699.db2.gz XGPJNECHDNPJSJ-KRWDZBQOSA-N 2 0 285.391 2.727 20 0 CFADRP C[C@@H]1C[C@@H](NCc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000174515321 379901786 /nfs/dbraw/zinc/90/17/86/379901786.db2.gz LIKSPENJVVRNTO-NEPJUHHUSA-N 2 0 291.420 2.975 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000334845412 379932822 /nfs/dbraw/zinc/93/28/22/379932822.db2.gz GYUOTXNXYPDULW-GOEBONIOSA-N 2 0 273.424 2.515 20 0 CFADRP CC1(C[NH2+]C2CCC3(CCOCC3)CC2)CC[NH2+]CC1 ZINC000334865341 379933969 /nfs/dbraw/zinc/93/39/69/379933969.db2.gz SPUHWIJWTIYQDX-UHFFFAOYSA-N 2 0 280.456 2.705 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCCC1 ZINC000335039000 379960886 /nfs/dbraw/zinc/96/08/86/379960886.db2.gz JUASISAUWKBDDM-NVXWUHKLSA-N 2 0 272.392 2.775 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335222190 380031680 /nfs/dbraw/zinc/03/16/80/380031680.db2.gz XPDNOVMAJQCWFA-JKSUJKDBSA-N 2 0 269.392 2.984 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335907136 380086630 /nfs/dbraw/zinc/08/66/30/380086630.db2.gz MHZGQRSGMWMGQN-XHDPSFHLSA-N 2 0 282.790 2.705 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000335227525 380040376 /nfs/dbraw/zinc/04/03/76/380040376.db2.gz LOZUWTASTOPJKH-MMWSSPAHSA-N 2 0 280.799 2.881 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000335228460 380043679 /nfs/dbraw/zinc/04/36/79/380043679.db2.gz JOBUWTMCKQFYOR-GXTWGEPZSA-N 2 0 274.408 2.569 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000335917809 380104899 /nfs/dbraw/zinc/10/48/99/380104899.db2.gz PMDLANPRQYUQQL-KGLIPLIRSA-N 2 0 279.453 2.676 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC[NH2+]CC1 ZINC000414974094 284825952 /nfs/dbraw/zinc/82/59/52/284825952.db2.gz LVBUHNYUEXRZAM-CVEARBPZSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC2(CCC[NH+]2C)CC1 ZINC000336199026 380285647 /nfs/dbraw/zinc/28/56/47/380285647.db2.gz YHYFSWNFEXXTHU-QGZVFWFLSA-N 2 0 293.499 2.810 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861454 284824239 /nfs/dbraw/zinc/82/42/39/284824239.db2.gz MRQQVLIRZDLAFR-CWRNSKLLSA-N 2 0 295.496 2.861 20 0 CFADRP F[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000336514784 380393413 /nfs/dbraw/zinc/39/34/13/380393413.db2.gz YJRRWVOWLWLMIE-TZMCWYRMSA-N 2 0 263.360 2.531 20 0 CFADRP CC(C)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177495945 380347861 /nfs/dbraw/zinc/34/78/61/380347861.db2.gz JADWRMPTJVOCCA-HZPDHXFCSA-N 2 0 282.472 2.854 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000178378142 380445845 /nfs/dbraw/zinc/44/58/45/380445845.db2.gz FDNDHKCDYXYSBP-RISCZKNCSA-N 2 0 299.484 2.767 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000268757574 190429122 /nfs/dbraw/zinc/42/91/22/190429122.db2.gz MCUIHKKPOAFUGW-HUUCEWRRSA-N 2 0 276.424 2.795 20 0 CFADRP CC1=CC[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000336574611 380489541 /nfs/dbraw/zinc/48/95/41/380489541.db2.gz XSUYHRGKVYHADH-INIZCTEOSA-N 3 0 291.483 2.633 20 0 CFADRP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000178758033 380481745 /nfs/dbraw/zinc/48/17/45/380481745.db2.gz QCNTYZCBQDQVRD-UHFFFAOYSA-N 2 0 284.444 2.571 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000336794301 380641502 /nfs/dbraw/zinc/64/15/02/380641502.db2.gz BBXXXDQKBUJLJV-QWHCGFSZSA-N 2 0 250.386 2.719 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCSC(C)C)C1 ZINC000336719609 380610426 /nfs/dbraw/zinc/61/04/26/380610426.db2.gz VTQYATNJQQLDAT-AWEZNQCLSA-N 2 0 258.475 2.792 20 0 CFADRP C[C@H]1CC[N@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000336720292 380612517 /nfs/dbraw/zinc/61/25/17/380612517.db2.gz SWJGZSUWBSOZDX-DOTOQJQBSA-N 2 0 276.424 2.510 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000180074697 380617555 /nfs/dbraw/zinc/61/75/55/380617555.db2.gz KRTBNDJXQKBEDF-SJORKVTESA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268943793 190454519 /nfs/dbraw/zinc/45/45/19/190454519.db2.gz UCLWYTGPIKXADV-RYQLBKOJSA-N 2 0 290.451 2.504 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000180460400 380663886 /nfs/dbraw/zinc/66/38/86/380663886.db2.gz KPQPTIOBKSGKIE-JKSUJKDBSA-N 2 0 298.496 2.504 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000180460384 380664888 /nfs/dbraw/zinc/66/48/88/380664888.db2.gz KPQPTIOBKSGKIE-HZPDHXFCSA-N 2 0 298.496 2.504 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000336818019 380680611 /nfs/dbraw/zinc/68/06/11/380680611.db2.gz SVOFPMUJMHIFQO-RYUDHWBXSA-N 2 0 264.369 2.583 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1 ZINC000180891483 380710069 /nfs/dbraw/zinc/71/00/69/380710069.db2.gz GKGOVWIZTYJEOE-RBSFLKMASA-N 2 0 262.397 2.526 20 0 CFADRP Cc1cnc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000180444410 380661258 /nfs/dbraw/zinc/66/12/58/380661258.db2.gz CFPQDPHZIIPZRT-UHFFFAOYSA-N 2 0 267.442 2.615 20 0 CFADRP COC1(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000181088615 380736340 /nfs/dbraw/zinc/73/63/40/380736340.db2.gz BFOXDMISCFJUTQ-RDJZCZTQSA-N 2 0 288.435 2.666 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279179420 194319564 /nfs/dbraw/zinc/31/95/64/194319564.db2.gz RSJSDGSOKJOGMV-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000295339069 380797876 /nfs/dbraw/zinc/79/78/76/380797876.db2.gz HVYQXOILRDZTFB-SWLSCSKDSA-N 2 0 264.438 2.589 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000346999155 380862927 /nfs/dbraw/zinc/86/29/27/380862927.db2.gz ZTCOHFKXMHHGFM-SFHVURJKSA-N 2 0 290.451 2.662 20 0 CFADRP C[C@@H]([NH2+]Cc1ccn(C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358489690 380879981 /nfs/dbraw/zinc/87/99/81/380879981.db2.gz YFLCPTQVZSPRSF-ZBFHGGJFSA-N 2 0 275.440 2.768 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000181699781 380867230 /nfs/dbraw/zinc/86/72/30/380867230.db2.gz SXXUNWSZMUFAFN-TWMKSMIVSA-N 2 0 294.483 2.900 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400920628 380867629 /nfs/dbraw/zinc/86/76/29/380867629.db2.gz FRUKJABWDVLEHL-FPCVCCKLSA-N 2 0 250.430 2.933 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000347004317 380870197 /nfs/dbraw/zinc/87/01/97/380870197.db2.gz ARVLNQYIKCKSFH-UHFFFAOYSA-N 2 0 292.471 2.686 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(CC)CC ZINC000181728224 380876118 /nfs/dbraw/zinc/87/61/18/380876118.db2.gz UDPDMABIRQMRRX-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000295420288 380840459 /nfs/dbraw/zinc/84/04/59/380840459.db2.gz SEJKVZVCLGXVPS-GFCCVEGCSA-N 2 0 289.354 2.937 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295427874 380849007 /nfs/dbraw/zinc/84/90/07/380849007.db2.gz NXIITMXVDQWCRZ-IAGOWNOFSA-N 2 0 290.451 2.876 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295427877 380849079 /nfs/dbraw/zinc/84/90/79/380849079.db2.gz NXIITMXVDQWCRZ-IRXDYDNUSA-N 2 0 290.451 2.876 20 0 CFADRP Cc1scc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000399980642 380851521 /nfs/dbraw/zinc/85/15/21/380851521.db2.gz GRQYKOXTFMQRPW-JSGCOSHPSA-N 2 0 252.427 2.972 20 0 CFADRP CCCn1nc(C)c(C[NH+]2CCC(C[NH2+]CC)CC2)c1C ZINC000347013338 380879219 /nfs/dbraw/zinc/87/92/19/380879219.db2.gz HXHGNRMRWCBDHA-UHFFFAOYSA-N 2 0 292.471 2.731 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346997492 380862320 /nfs/dbraw/zinc/86/23/20/380862320.db2.gz WSYRFWRJOMBPGD-QAPCUYQASA-N 2 0 287.451 2.889 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000358561236 380927591 /nfs/dbraw/zinc/92/75/91/380927591.db2.gz GCEUKJYIFGLODM-OWCLPIDISA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000347086754 380928938 /nfs/dbraw/zinc/92/89/38/380928938.db2.gz FCERZGNPSQPGPB-ZDUSSCGKSA-N 2 0 284.407 2.636 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000347017361 380882317 /nfs/dbraw/zinc/88/23/17/380882317.db2.gz DMMJMOAVAGHCNY-NEPJUHHUSA-N 2 0 293.480 2.827 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000368009639 380884042 /nfs/dbraw/zinc/88/40/42/380884042.db2.gz XOAOYULJMGSBBH-YHUYYLMFSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358506316 380891840 /nfs/dbraw/zinc/89/18/40/380891840.db2.gz LWDQIMOMAUHOAM-UHFFFAOYSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000181785960 380894176 /nfs/dbraw/zinc/89/41/76/380894176.db2.gz SQWCZZQISYZWEN-BZZMCLGOSA-N 2 0 287.451 2.504 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347039552 380898748 /nfs/dbraw/zinc/89/87/48/380898748.db2.gz JOUSLJDHQPDWJH-YAIPVJBQSA-N 2 0 274.408 2.768 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347040167 380899494 /nfs/dbraw/zinc/89/94/94/380899494.db2.gz HPZBTDDCFOROPP-IUODEOHRSA-N 2 0 292.471 2.814 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000347046488 380904199 /nfs/dbraw/zinc/90/41/99/380904199.db2.gz OGCHNUXKWAVWCJ-JTQLQIEISA-N 2 0 287.329 2.660 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1F ZINC000182035950 380971125 /nfs/dbraw/zinc/97/11/25/380971125.db2.gz USRLVBLHGFVWLF-GXTWGEPZSA-N 2 0 280.387 2.969 20 0 CFADRP C[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH2+]CC1 ZINC000347176808 380986385 /nfs/dbraw/zinc/98/63/85/380986385.db2.gz RQADTZLMEWRDOA-UHFFFAOYSA-N 2 0 281.403 2.932 20 0 CFADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CCC2)CC1 ZINC000341370744 380972438 /nfs/dbraw/zinc/97/24/38/380972438.db2.gz VIRZYFIBXPDMGB-UHFFFAOYSA-N 2 0 293.842 2.734 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347160010 380975784 /nfs/dbraw/zinc/97/57/84/380975784.db2.gz GNJNEAMHWUCEAU-DOTOQJQBSA-N 2 0 260.425 2.926 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H](C)C1 ZINC000353947880 380979095 /nfs/dbraw/zinc/97/90/95/380979095.db2.gz PUNLHPYUUPLIPN-MNOVXSKESA-N 2 0 264.335 2.649 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000368292374 380983919 /nfs/dbraw/zinc/98/39/19/380983919.db2.gz UGMVOSINSKZNIQ-QDEZUTFSSA-N 2 0 274.408 2.623 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CCCC(=O)OC(C)(C)C)C1 ZINC000181943492 380942992 /nfs/dbraw/zinc/94/29/92/380942992.db2.gz OIOGNNBLOWAIHU-HNNXBMFYSA-N 2 0 298.471 2.772 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)CCN1C ZINC000181947166 380944958 /nfs/dbraw/zinc/94/49/58/380944958.db2.gz DZYVAZFJCODVOH-GJZGRUSLSA-N 2 0 298.471 2.913 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2cccc(O)c2)CC1 ZINC000341339511 380947461 /nfs/dbraw/zinc/94/74/61/380947461.db2.gz BYBUHLDXQDRGJL-CQSZACIVSA-N 2 0 276.424 2.786 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347223050 381012246 /nfs/dbraw/zinc/01/22/46/381012246.db2.gz UWBOAPMNYZRCKC-BFOXKCCLSA-N 2 0 262.372 2.898 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000358648322 380990127 /nfs/dbraw/zinc/99/01/27/380990127.db2.gz IDWUZZBYKHFHMT-AWEZNQCLSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000353970284 380990570 /nfs/dbraw/zinc/99/05/70/380990570.db2.gz DUZZRFQAEGYQQR-UHFFFAOYSA-N 2 0 264.335 2.791 20 0 CFADRP CC[C@@H](C[NH2+]C1CC(OC)C1)N1CCc2ccccc2C1 ZINC000347195224 380997277 /nfs/dbraw/zinc/99/72/77/380997277.db2.gz SZHQBJPSFPQRNW-ADKAHSJRSA-N 2 0 288.435 2.590 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000368352372 380998529 /nfs/dbraw/zinc/99/85/29/380998529.db2.gz QXNGGCUDDQARND-KRWDZBQOSA-N 2 0 296.455 2.526 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368531529 381058976 /nfs/dbraw/zinc/05/89/76/381058976.db2.gz VLSLDHSKJNPIQJ-NUJGCVRESA-N 2 0 290.451 2.912 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368531528 381059416 /nfs/dbraw/zinc/05/94/16/381059416.db2.gz VLSLDHSKJNPIQJ-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000347306146 381059946 /nfs/dbraw/zinc/05/99/46/381059946.db2.gz AUUNPKOZESLOES-QBPKDAKJSA-N 2 0 280.456 2.797 20 0 CFADRP COCC1(C)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000358755489 381060260 /nfs/dbraw/zinc/06/02/60/381060260.db2.gz VQMLMIBWKBNUOF-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000368485686 381040216 /nfs/dbraw/zinc/04/02/16/381040216.db2.gz JSYITDFGMDMAKQ-MSOLQXFVSA-N 2 0 287.451 2.820 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CCN1C ZINC000182397631 381080863 /nfs/dbraw/zinc/08/08/63/381080863.db2.gz XCWIQCUPLBQBPK-CJNGLKHVSA-N 2 0 292.398 2.813 20 0 CFADRP CCc1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)o1 ZINC000354101483 381081269 /nfs/dbraw/zinc/08/12/69/381081269.db2.gz UPTSMNJGGXYAEN-MRXNPFEDSA-N 2 0 294.439 2.775 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000354107365 381083039 /nfs/dbraw/zinc/08/30/39/381083039.db2.gz PXIVYXKMJIIHTM-GOSISDBHSA-N 2 0 290.451 2.928 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368608872 381083597 /nfs/dbraw/zinc/08/35/97/381083597.db2.gz SQYZBWHXHPLJDB-YNEHKIRRSA-N 2 0 256.459 2.590 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000368609030 381084253 /nfs/dbraw/zinc/08/42/53/381084253.db2.gz USQLJKSDFDXXAP-HYVNUMGLSA-N 2 0 276.399 2.831 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000182452906 381091625 /nfs/dbraw/zinc/09/16/25/381091625.db2.gz JNCVSHJXHBOEMC-GJZGRUSLSA-N 2 0 278.444 2.583 20 0 CFADRP CC[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1nccn1C ZINC000182475501 381093820 /nfs/dbraw/zinc/09/38/20/381093820.db2.gz VXWPGELQPMQLQN-HOTGVXAUSA-N 2 0 292.471 2.971 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCC(C)(C)C3)C2)CC1 ZINC000368650412 381095430 /nfs/dbraw/zinc/09/54/30/381095430.db2.gz PWFXPGZLUUUSLR-IAGOWNOFSA-N 2 0 293.499 2.665 20 0 CFADRP C[C@@H]([NH2+]CCc1ccncc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289686042 381103181 /nfs/dbraw/zinc/10/31/81/381103181.db2.gz ZSWANSDSEKFQGG-WBVHZDCISA-N 2 0 287.451 2.867 20 0 CFADRP COC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289696237 381108241 /nfs/dbraw/zinc/10/82/41/381108241.db2.gz DNCGEFWBSYSOAI-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)[C@H](C)C1 ZINC000347387016 381114494 /nfs/dbraw/zinc/11/44/94/381114494.db2.gz BWXHQYOZIGCDAN-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000354096748 381076217 /nfs/dbraw/zinc/07/62/17/381076217.db2.gz LJLWNYZUYPHBFN-HNNXBMFYSA-N 2 0 280.412 2.521 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cn1cccn1 ZINC000347425114 381144337 /nfs/dbraw/zinc/14/43/37/381144337.db2.gz XMWYAMPJITWXEO-IKGGRYGDSA-N 2 0 292.471 2.762 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347437159 381150596 /nfs/dbraw/zinc/15/05/96/381150596.db2.gz LAHFKLVMBWQAPM-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2)C[C@@H]1C ZINC000354226175 381150636 /nfs/dbraw/zinc/15/06/36/381150636.db2.gz VDCWWUHVPKQFGG-HOTGVXAUSA-N 2 0 276.424 2.870 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368851701 381150708 /nfs/dbraw/zinc/15/07/08/381150708.db2.gz RUSHCOCJHYYAHY-UHFFFAOYSA-N 2 0 288.435 2.762 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182840307 381167898 /nfs/dbraw/zinc/16/78/98/381167898.db2.gz JOEZOSJMELUWNB-MRXNPFEDSA-N 2 0 298.377 2.584 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCC(C)CC1 ZINC000359015476 381217010 /nfs/dbraw/zinc/21/70/10/381217010.db2.gz NVMHEJMLHNQRPM-PYBGIAKNSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347529107 381202876 /nfs/dbraw/zinc/20/28/76/381202876.db2.gz TUTJZYSKJKHDQV-UHFFFAOYSA-N 2 0 295.386 2.652 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369194333 381210795 /nfs/dbraw/zinc/21/07/95/381210795.db2.gz OUKITSSZYXPVIB-RCCFBDPRSA-N 2 0 295.515 2.626 20 0 CFADRP Cc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc(C)c1O ZINC000290016373 381263886 /nfs/dbraw/zinc/26/38/86/381263886.db2.gz MHTRCZYDNYOVTG-INIZCTEOSA-N 2 0 288.435 2.927 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2COCC)CC1 ZINC000354353915 381220778 /nfs/dbraw/zinc/22/07/78/381220778.db2.gz WPLVCQFHRMPQNZ-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000359043532 381230823 /nfs/dbraw/zinc/23/08/23/381230823.db2.gz DKXKQPWYFPMYQM-XJKSGUPXSA-N 2 0 264.388 2.688 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2cnccc2C)C1 ZINC000289959604 381235349 /nfs/dbraw/zinc/23/53/49/381235349.db2.gz IMNJPHGWKWEYPQ-KRWDZBQOSA-N 2 0 289.467 2.986 20 0 CFADRP C[C@]1(F)CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000296065001 381240344 /nfs/dbraw/zinc/24/03/44/381240344.db2.gz PNLDIMBBUYDAOZ-HNNXBMFYSA-N 2 0 274.343 2.591 20 0 CFADRP Cc1ccc([C@]2(C)CC[N@H+](CCn3ccnc3)C2)cc1 ZINC000369382563 381249609 /nfs/dbraw/zinc/24/96/09/381249609.db2.gz CDQLASKXJYZGJG-QGZVFWFLSA-N 2 0 269.392 2.855 20 0 CFADRP C[N@H+](CCOCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000359210758 381290011 /nfs/dbraw/zinc/29/00/11/381290011.db2.gz MFQOMORSHOBOEI-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP c1ccc(C[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359228730 381299891 /nfs/dbraw/zinc/29/98/91/381299891.db2.gz XKHNBIRDKMBZNS-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP CCC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000359229558 381300021 /nfs/dbraw/zinc/30/00/21/381300021.db2.gz YBFYJGNLELNJDH-BBWFWOEESA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369505218 381277722 /nfs/dbraw/zinc/27/77/22/381277722.db2.gz XOAMCHYRXQZISK-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000347734877 381323810 /nfs/dbraw/zinc/32/38/10/381323810.db2.gz IQLCZZSKKGKCTQ-NVXWUHKLSA-N 2 0 290.455 2.539 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CCCc2cc(CC)no2)C1 ZINC000347740917 381327426 /nfs/dbraw/zinc/32/74/26/381327426.db2.gz VNSULHTWPOEWEN-HNNXBMFYSA-N 2 0 293.455 2.833 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183852826 381330419 /nfs/dbraw/zinc/33/04/19/381330419.db2.gz NTLRTKUWPXNTHT-IHRRRGAJSA-N 2 0 284.444 2.569 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183852842 381330821 /nfs/dbraw/zinc/33/08/21/381330821.db2.gz NTLRTKUWPXNTHT-RDBSUJKOSA-N 2 0 284.444 2.569 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000183702833 381307497 /nfs/dbraw/zinc/30/74/97/381307497.db2.gz PNTHJZBIHRBHJI-GJZGRUSLSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000290142715 381318965 /nfs/dbraw/zinc/31/89/65/381318965.db2.gz CHNPODJFUDDROI-KBAYOESNSA-N 2 0 288.435 2.666 20 0 CFADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCCCCC1 ZINC000342415688 381319969 /nfs/dbraw/zinc/31/99/69/381319969.db2.gz KONOUXWDAKZCOP-UHFFFAOYSA-N 2 0 291.439 2.834 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369881289 381346013 /nfs/dbraw/zinc/34/60/13/381346013.db2.gz FRNKDQPQFODJDT-NVXWUHKLSA-N 2 0 287.451 2.506 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000347796722 381354724 /nfs/dbraw/zinc/35/47/24/381354724.db2.gz MTJYNIRXJSSLDS-QGZVFWFLSA-N 2 0 282.387 2.916 20 0 CFADRP C[C@H](CF)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290243324 381355766 /nfs/dbraw/zinc/35/57/66/381355766.db2.gz UWHKXXNXSMKYJD-IJEWVQPXSA-N 2 0 264.388 2.845 20 0 CFADRP OCC[NH+]1CCC(C[NH2+]CCCC2CCCCC2)CC1 ZINC000347798629 381356016 /nfs/dbraw/zinc/35/60/16/381356016.db2.gz KQOCRFDRPVGZMZ-UHFFFAOYSA-N 2 0 282.472 2.641 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359343714 381363443 /nfs/dbraw/zinc/36/34/43/381363443.db2.gz PQHBSZVZEUYEFF-CHWSQXEVSA-N 2 0 252.427 2.529 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000370205257 381403857 /nfs/dbraw/zinc/40/38/57/381403857.db2.gz YRJVTBUJESIBHO-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000359428782 381409732 /nfs/dbraw/zinc/40/97/32/381409732.db2.gz HSZHHRRHTUOREV-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(C)(C)O)C1 ZINC000370167878 381396996 /nfs/dbraw/zinc/39/69/96/381396996.db2.gz WDRWXUWQOCMYOU-HOTGVXAUSA-N 2 0 282.472 2.734 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000184507036 381424358 /nfs/dbraw/zinc/42/43/58/381424358.db2.gz IEUJOKQJECWRKB-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000184507085 381425032 /nfs/dbraw/zinc/42/50/32/381425032.db2.gz IEUJOKQJECWRKB-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000359477638 381426159 /nfs/dbraw/zinc/42/61/59/381426159.db2.gz DFTSQRSEKLTGJK-QGZVFWFLSA-N 2 0 281.403 2.888 20 0 CFADRP O[C@@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000290441208 381431996 /nfs/dbraw/zinc/43/19/96/381431996.db2.gz VNLWKXSPUHFUCE-AEFFLSMTSA-N 2 0 288.435 2.528 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342628225 381442527 /nfs/dbraw/zinc/44/25/27/381442527.db2.gz QUGDMJONTYMOLV-JKSUJKDBSA-N 2 0 276.424 2.774 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2)CC[N@@H+]1C ZINC000359516027 381445384 /nfs/dbraw/zinc/44/53/84/381445384.db2.gz KJQNRUYRSVLOGA-GDBMZVCRSA-N 2 0 278.465 2.992 20 0 CFADRP CC[C@H](CO)[N@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000342635338 381448349 /nfs/dbraw/zinc/44/83/49/381448349.db2.gz QKDQMADTTDWFPO-QGZVFWFLSA-N 2 0 287.407 2.546 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC000370495879 381457705 /nfs/dbraw/zinc/45/77/05/381457705.db2.gz GPXBQRFYTAXETG-KRWDZBQOSA-N 2 0 288.435 2.796 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000184997320 381509825 /nfs/dbraw/zinc/50/98/25/381509825.db2.gz KCJCEHDEGZHGLH-RHSMWYFYSA-N 2 0 273.424 2.997 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290649398 381510496 /nfs/dbraw/zinc/51/04/96/381510496.db2.gz YZOPMWPLXJDCCM-OJJSLQOQSA-N 2 0 288.435 2.980 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000412978407 381515908 /nfs/dbraw/zinc/51/59/08/381515908.db2.gz PRSYGDFUQZSWDQ-BRWVUGGUSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000290610951 381497521 /nfs/dbraw/zinc/49/75/21/381497521.db2.gz WNAHSPGFMYJBPV-WMLDXEAASA-N 2 0 286.419 2.734 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354987672 381552021 /nfs/dbraw/zinc/55/20/21/381552021.db2.gz ILYYYJFRVAMUSX-UTUOFQBUSA-N 2 0 264.335 2.934 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000348367645 381536530 /nfs/dbraw/zinc/53/65/30/381536530.db2.gz FFCHKKXBVUPBOQ-IKGGRYGDSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc(C)nc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000297816426 381573137 /nfs/dbraw/zinc/57/31/37/381573137.db2.gz YNCYCYQEAZFGIJ-UHFFFAOYSA-N 2 0 298.390 2.875 20 0 CFADRP COC1(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCCC1 ZINC000359718484 381576993 /nfs/dbraw/zinc/57/69/93/381576993.db2.gz KDCZKXZMOAUTEU-UHFFFAOYSA-N 2 0 294.414 2.936 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342838507 381577382 /nfs/dbraw/zinc/57/73/82/381577382.db2.gz OSIDWPWGKDDNGA-GOEBONIOSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000359728207 381581697 /nfs/dbraw/zinc/58/16/97/381581697.db2.gz JYRGXNMHRINSOU-UHFFFAOYSA-N 2 0 267.442 2.538 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CCC[NH+](C)C)cc1F ZINC000185266187 381582529 /nfs/dbraw/zinc/58/25/29/381582529.db2.gz JPUAZOACFJDGKD-CYBMUJFWSA-N 2 0 282.403 2.554 20 0 CFADRP c1ccc(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000297300359 381557947 /nfs/dbraw/zinc/55/79/47/381557947.db2.gz BDPHPXWGBJESCT-UHFFFAOYSA-N 2 0 296.418 2.668 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371199529 381565435 /nfs/dbraw/zinc/56/54/35/381565435.db2.gz UEAQRNAXEFMLKY-ROUUACIJSA-N 2 0 293.499 2.669 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414170315 381567319 /nfs/dbraw/zinc/56/73/19/381567319.db2.gz BXHJOXPOOYMQKT-HRCADAONSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000185219816 381568624 /nfs/dbraw/zinc/56/86/24/381568624.db2.gz ZGNDKCBSAGHGRS-GJZGRUSLSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000414176967 381568997 /nfs/dbraw/zinc/56/89/97/381568997.db2.gz IPHPZKYOHBHPFU-FPCVCCKLSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000414708509 381599430 /nfs/dbraw/zinc/59/94/30/381599430.db2.gz ZZDKQAYWNKWUAV-AQFXKWCLSA-N 2 0 281.488 2.556 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C12CCC2 ZINC000414714362 381600760 /nfs/dbraw/zinc/60/07/60/381600760.db2.gz VIOVDAXXBUDURC-LVQVYYBASA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414810639 381607990 /nfs/dbraw/zinc/60/79/90/381607990.db2.gz VKQPHQRSQFMJFC-RISCZKNCSA-N 2 0 292.814 2.595 20 0 CFADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000348523059 381607446 /nfs/dbraw/zinc/60/74/46/381607446.db2.gz BKFARTMGIAPONW-CHWSQXEVSA-N 2 0 276.371 2.612 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCCOC1 ZINC000355068180 381594279 /nfs/dbraw/zinc/59/42/79/381594279.db2.gz QDNLOYRZKNKDDL-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000342910809 381609780 /nfs/dbraw/zinc/60/97/80/381609780.db2.gz IZABOEVOTJFROH-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414937021 381628830 /nfs/dbraw/zinc/62/88/30/381628830.db2.gz ZQQALQLVHJFRKF-HUUCEWRRSA-N 2 0 262.397 2.833 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414929445 381618308 /nfs/dbraw/zinc/61/83/08/381618308.db2.gz RKPKQSQWHWJTIF-CABCVRRESA-N 2 0 262.397 2.833 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C2(C)CC[NH2+]CC2)cc1F ZINC000414931756 381622412 /nfs/dbraw/zinc/62/24/12/381622412.db2.gz CAJIPEOEHFMPKG-CYBMUJFWSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414936051 381626206 /nfs/dbraw/zinc/62/62/06/381626206.db2.gz GMQHNPGMPYBVQR-YRGRVCCFSA-N 2 0 252.427 2.657 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@]2(COC)CCC[NH2+]2)C1 ZINC000414936023 381627970 /nfs/dbraw/zinc/62/79/70/381627970.db2.gz BNCSJCZWBKYEJU-OWCLPIDISA-N 2 0 268.445 2.561 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000414943646 381633948 /nfs/dbraw/zinc/63/39/48/381633948.db2.gz FQSKKMYBRPHSIW-WCQYABFASA-N 2 0 297.240 2.988 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298456421 381634098 /nfs/dbraw/zinc/63/40/98/381634098.db2.gz ODRYMHHALGBNRE-INIZCTEOSA-N 2 0 291.439 2.845 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414943880 381634154 /nfs/dbraw/zinc/63/41/54/381634154.db2.gz OMTAOEDMYLTYFK-WOSRLPQWSA-N 2 0 264.388 2.734 20 0 CFADRP CCCOc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OC ZINC000414945425 381635861 /nfs/dbraw/zinc/63/58/61/381635861.db2.gz RMCDPWGMTAAHSH-UHFFFAOYSA-N 2 0 292.423 2.716 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000185451585 381636158 /nfs/dbraw/zinc/63/61/58/381636158.db2.gz KLEOZLYLVGGZQP-UHFFFAOYSA-N 2 0 288.366 2.883 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000414944649 381636163 /nfs/dbraw/zinc/63/61/63/381636163.db2.gz HGFVQHJUNMSSKY-YDHLFZDLSA-N 2 0 294.414 2.743 20 0 CFADRP CC1([NH2+]Cc2cccc(-c3ccncc3)c2)CC[NH2+]CC1 ZINC000414944804 381636843 /nfs/dbraw/zinc/63/68/43/381636843.db2.gz QKWCHOZYOJNKKO-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1nc2c(s1)CCC2 ZINC000355127668 381629991 /nfs/dbraw/zinc/62/99/91/381629991.db2.gz VURPGVYZPRKWMX-WOPDTQHZSA-N 2 0 279.453 2.765 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[NH2+]1 ZINC000414940956 381631374 /nfs/dbraw/zinc/63/13/74/381631374.db2.gz CCSBXKCRRKSNQN-RHSMWYFYSA-N 2 0 281.403 2.979 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000414941257 381631581 /nfs/dbraw/zinc/63/15/81/381631581.db2.gz LHMCKONXYPFOQK-NHYWBVRUSA-N 2 0 284.806 2.999 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[NH2+]1 ZINC000414946997 381639522 /nfs/dbraw/zinc/63/95/22/381639522.db2.gz KFCPQUHKCQHXEU-KSSFIOAISA-N 2 0 281.403 2.979 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)CC[NH2+]1 ZINC000414952874 381644924 /nfs/dbraw/zinc/64/49/24/381644924.db2.gz RDMAYHXWEZDZIT-XXMQVSLVSA-N 2 0 266.335 2.708 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000343035523 381655654 /nfs/dbraw/zinc/65/56/54/381655654.db2.gz SSUHAFMENAKGFB-QAPCUYQASA-N 2 0 289.467 2.568 20 0 CFADRP c1csc(-c2n[nH]cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414960794 381655887 /nfs/dbraw/zinc/65/58/87/381655887.db2.gz ARMNYOHBZNHHMS-ZDUSSCGKSA-N 2 0 290.436 2.760 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414961549 381655972 /nfs/dbraw/zinc/65/59/72/381655972.db2.gz IPUOEWHQPPIBQE-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@H]1[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1c1ccccc1 ZINC000414961296 381656787 /nfs/dbraw/zinc/65/67/87/381656787.db2.gz YSLZPVYZJWBTHN-PVTMVUMOSA-N 2 0 258.409 2.909 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414961618 381657024 /nfs/dbraw/zinc/65/70/24/381657024.db2.gz BIJYLQQKXKLQET-CYBMUJFWSA-N 2 0 281.469 2.963 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414962586 381658374 /nfs/dbraw/zinc/65/83/74/381658374.db2.gz WJFJTADWHOETQD-ZWKOTPCHSA-N 2 0 290.451 2.674 20 0 CFADRP C[C@H]1CCc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)sc2C1 ZINC000414963910 381660175 /nfs/dbraw/zinc/66/01/75/381660175.db2.gz DKEWOCKIEWJQAL-STQMWFEESA-N 2 0 293.480 2.890 20 0 CFADRP COC[C@@]1(C[NH2+]C[C@H](c2ccccc2)C(C)C)CCC[NH2+]1 ZINC000414964370 381660462 /nfs/dbraw/zinc/66/04/62/381660462.db2.gz XZIUTXSUGXIRJG-ROUUACIJSA-N 2 0 290.451 2.784 20 0 CFADRP COC[C@]1(C[NH2+]C[C@H](c2ccccc2)C(C)C)CCC[NH2+]1 ZINC000414964371 381660606 /nfs/dbraw/zinc/66/06/06/381660606.db2.gz XZIUTXSUGXIRJG-ZWKOTPCHSA-N 2 0 290.451 2.784 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414967123 381663979 /nfs/dbraw/zinc/66/39/79/381663979.db2.gz GVVASZWBZVCFCI-HNNXBMFYSA-N 2 0 250.361 2.756 20 0 CFADRP C[C@@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000414969142 381665887 /nfs/dbraw/zinc/66/58/87/381665887.db2.gz JBFRIDAVCGHVDT-ZBFHGGJFSA-N 2 0 268.445 2.561 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414969014 381665904 /nfs/dbraw/zinc/66/59/04/381665904.db2.gz YXRIOHNXFAUMJO-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC3CC3)CC2)C[C@H](C)O1 ZINC000359900466 381667130 /nfs/dbraw/zinc/66/71/30/381667130.db2.gz NRJXLYZMWHHMAR-HOTGVXAUSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414970637 381667805 /nfs/dbraw/zinc/66/78/05/381667805.db2.gz VOCYYYXTUDREIT-GVDBMIGSSA-N 2 0 273.424 2.588 20 0 CFADRP COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414970960 381667966 /nfs/dbraw/zinc/66/79/66/381667966.db2.gz KYYHCLBCBWFVRS-CYBMUJFWSA-N 2 0 282.815 2.970 20 0 CFADRP c1sc(C2CC2)nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414971429 381668061 /nfs/dbraw/zinc/66/80/61/381668061.db2.gz LFRANHUITXWYNC-GFCCVEGCSA-N 2 0 265.426 2.642 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348696076 381670711 /nfs/dbraw/zinc/67/07/11/381670711.db2.gz LEOQVDOMHIHJNN-FESBJMALSA-N 2 0 264.335 2.646 20 0 CFADRP Clc1ccccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414975954 381671499 /nfs/dbraw/zinc/67/14/99/381671499.db2.gz PANOZLSBDHXHIH-ZDUSSCGKSA-N 2 0 252.789 2.962 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cnn(C)c1 ZINC000371518428 381650427 /nfs/dbraw/zinc/65/04/27/381650427.db2.gz HXQDLCCJSFLMEB-YXJHDRRASA-N 2 0 298.434 2.764 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000415014546 381708248 /nfs/dbraw/zinc/70/82/48/381708248.db2.gz MOXSSRDIJVOZQZ-UONOGXRCSA-N 2 0 256.434 2.546 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000415014334 381708657 /nfs/dbraw/zinc/70/86/57/381708657.db2.gz WSXHDRIVHLBFCA-DZGCQCFKSA-N 2 0 294.826 2.826 20 0 CFADRP CC(C)OC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695645 381708654 /nfs/dbraw/zinc/70/86/54/381708654.db2.gz LMHCFLUGKIBDSM-CABCVRRESA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)c1cnc(C[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000415014239 381708736 /nfs/dbraw/zinc/70/87/36/381708736.db2.gz LVUCACDOFBGABV-LLVKDONJSA-N 2 0 255.431 2.874 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000343438494 381710949 /nfs/dbraw/zinc/71/09/49/381710949.db2.gz FLFZHTYMTKYKEA-KLHDSHLOSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)CCC[NH3+] ZINC000415018028 381711420 /nfs/dbraw/zinc/71/14/20/381711420.db2.gz GEEWXKGKUOZJMB-QWHCGFSZSA-N 2 0 274.412 2.601 20 0 CFADRP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415017083 381711836 /nfs/dbraw/zinc/71/18/36/381711836.db2.gz DMPORRUAYFSDNK-SNVBAGLBSA-N 2 0 288.338 2.514 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCSCc1ccccc1 ZINC000415018620 381712997 /nfs/dbraw/zinc/71/29/97/381712997.db2.gz HFNXREHPTOFVHU-CYBMUJFWSA-N 2 0 252.427 2.637 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000415018888 381713062 /nfs/dbraw/zinc/71/30/62/381713062.db2.gz HGLCYLDSFXLAGT-RYUDHWBXSA-N 2 0 254.805 2.988 20 0 CFADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])c(SC)cc1OC ZINC000415020090 381714996 /nfs/dbraw/zinc/71/49/96/381714996.db2.gz IYENVKHDYSAFGT-LLVKDONJSA-N 2 0 298.452 2.643 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000415021303 381715407 /nfs/dbraw/zinc/71/54/07/381715407.db2.gz YGDCFKWFOSSSRT-CQSZACIVSA-N 2 0 286.423 2.694 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355204815 381676379 /nfs/dbraw/zinc/67/63/79/381676379.db2.gz SBFZXSXSNWCUFP-HYVNUMGLSA-N 2 0 258.409 2.754 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000414985308 381678975 /nfs/dbraw/zinc/67/89/75/381678975.db2.gz BEXXJTUGFCVYOR-BLLLJJGKSA-N 2 0 287.382 2.981 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000414989479 381682871 /nfs/dbraw/zinc/68/28/71/381682871.db2.gz HAYGKJHWWORUGK-HIFRSBDPSA-N 2 0 285.391 2.949 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414989284 381683704 /nfs/dbraw/zinc/68/37/04/381683704.db2.gz MXHKBZREKQNMMN-GWCFXTLKSA-N 2 0 285.229 2.707 20 0 CFADRP CC(C)Cn1cc(CNC2CC[NH+](C3CCC3)CC2)cn1 ZINC000359929293 381684254 /nfs/dbraw/zinc/68/42/54/381684254.db2.gz GPJNLRACVHKAOC-UHFFFAOYSA-N 2 0 290.455 2.646 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000414992194 381685302 /nfs/dbraw/zinc/68/53/02/381685302.db2.gz KEUWKIWBQQNYFU-DGCLKSJQSA-N 2 0 292.814 2.595 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000414998431 381689954 /nfs/dbraw/zinc/68/99/54/381689954.db2.gz QPQVOENTULOMAE-IINYFYTJSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC000415004986 381695755 /nfs/dbraw/zinc/69/57/55/381695755.db2.gz YOXOGLQVCHBYAW-WDEREUQCSA-N 2 0 254.324 2.572 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415004822 381696334 /nfs/dbraw/zinc/69/63/34/381696334.db2.gz IMVYXPNPGBEPRF-XOKHGSTOSA-N 2 0 288.435 2.604 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415005483 381699073 /nfs/dbraw/zinc/69/90/73/381699073.db2.gz ZEXFNPPOMJGLPB-RYUDHWBXSA-N 2 0 282.815 2.956 20 0 CFADRP CC1CC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000415005735 381699294 /nfs/dbraw/zinc/69/92/94/381699294.db2.gz PQSBBPOJHQAWBQ-CBPVBMDVSA-N 2 0 276.399 2.907 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc2cccnc12 ZINC000415024315 381717204 /nfs/dbraw/zinc/71/72/04/381717204.db2.gz OSDDLPLUVQEDJL-ZDUSSCGKSA-N 2 0 257.381 2.760 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415007645 381700669 /nfs/dbraw/zinc/70/06/69/381700669.db2.gz LXYFTHDGGCOGSW-DZGCQCFKSA-N 2 0 282.790 2.957 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415009059 381701840 /nfs/dbraw/zinc/70/18/40/381701840.db2.gz FHVDAMHFMHTBMQ-SRVKXCTJSA-N 2 0 297.830 2.691 20 0 CFADRP OCC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000371810712 381705156 /nfs/dbraw/zinc/70/51/56/381705156.db2.gz SGJIOJKOACUIAI-UHFFFAOYSA-N 2 0 294.483 2.783 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncc(Br)s1 ZINC000415012885 381706479 /nfs/dbraw/zinc/70/64/79/381706479.db2.gz JNIDXKBDWLQAKC-MRVPVSSYSA-N 2 0 292.246 2.513 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000415012096 381706870 /nfs/dbraw/zinc/70/68/70/381706870.db2.gz ILZPVLGQIUPYOT-UONOGXRCSA-N 2 0 266.433 2.502 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000415012970 381706897 /nfs/dbraw/zinc/70/68/97/381706897.db2.gz KDAVGQXPNYTKKS-GFCCVEGCSA-N 2 0 290.436 2.812 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000415041447 381728968 /nfs/dbraw/zinc/72/89/68/381728968.db2.gz PWADOICVIGXEAZ-RKDXNWHRSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000415074126 381758440 /nfs/dbraw/zinc/75/84/40/381758440.db2.gz BZUCWWBMNSELFT-OGVSOVDVSA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)(C)c1nc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000415045930 381731973 /nfs/dbraw/zinc/73/19/73/381731973.db2.gz UQZNGIJHVIWRFA-MNOVXSKESA-N 2 0 267.442 2.658 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415049265 381734409 /nfs/dbraw/zinc/73/44/09/381734409.db2.gz XRIFEEIXEXFNFG-ZFWWWQNUSA-N 2 0 292.423 2.701 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415048727 381735214 /nfs/dbraw/zinc/73/52/14/381735214.db2.gz XGVKJQJGIBGYHJ-HIFRSBDPSA-N 2 0 262.397 2.691 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415051763 381736463 /nfs/dbraw/zinc/73/64/63/381736463.db2.gz ZRIXWSPNFYPUEG-CJNGLKHVSA-N 2 0 284.407 2.602 20 0 CFADRP CCCC[C@@H](CC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053220 381738170 /nfs/dbraw/zinc/73/81/70/381738170.db2.gz MBFUVJCOWYDIDX-KLAILNCOSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415052944 381738744 /nfs/dbraw/zinc/73/87/44/381738744.db2.gz JEVCMNKQWCUDHJ-RDTXWAMCSA-N 2 0 298.434 2.504 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)nc1 ZINC000415053978 381740673 /nfs/dbraw/zinc/74/06/73/381740673.db2.gz NDYUXUGQZSPLSJ-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000415066666 381751269 /nfs/dbraw/zinc/75/12/69/381751269.db2.gz BCEMXKZLYIRTLH-DOMZBBRYSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000415067981 381752831 /nfs/dbraw/zinc/75/28/31/381752831.db2.gz LWIOOKHLLARBGP-QMCVQRASSA-N 2 0 258.409 2.910 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000415074128 381759793 /nfs/dbraw/zinc/75/97/93/381759793.db2.gz BZUCWWBMNSELFT-SIWZUTFBSA-N 2 0 258.409 2.824 20 0 CFADRP COc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1OC(C)C ZINC000415067945 381753769 /nfs/dbraw/zinc/75/37/69/381753769.db2.gz LTIHQHOEMZYAPR-UHFFFAOYSA-N 2 0 292.423 2.714 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000415067980 381754554 /nfs/dbraw/zinc/75/45/54/381754554.db2.gz LWIOOKHLLARBGP-PQEBFOHHSA-N 2 0 258.409 2.910 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415024913 381718394 /nfs/dbraw/zinc/71/83/94/381718394.db2.gz PVLHYXIVZPUJNA-AWEZNQCLSA-N 2 0 264.413 2.938 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415024989 381718639 /nfs/dbraw/zinc/71/86/39/381718639.db2.gz OPGWAWKNSDFCCO-YHUYYLMFSA-N 2 0 268.445 2.545 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000415028063 381720295 /nfs/dbraw/zinc/72/02/95/381720295.db2.gz CCKJGPBCOPDAPP-IUCAKERBSA-N 2 0 278.343 2.984 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(Br)c1 ZINC000415028294 381721504 /nfs/dbraw/zinc/72/15/04/381721504.db2.gz YJJGAYMNNQDWGK-NSHDSACASA-N 2 0 285.229 2.975 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000415030313 381722056 /nfs/dbraw/zinc/72/20/56/381722056.db2.gz FNSFTRQCFKZVEK-XHDPSFHLSA-N 2 0 273.355 2.591 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415030862 381722160 /nfs/dbraw/zinc/72/21/60/381722160.db2.gz CXBJLCTYENVLBM-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP CCC1([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC000348817244 381722335 /nfs/dbraw/zinc/72/23/35/381722335.db2.gz KPLBNCOORWXIPX-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415031231 381723371 /nfs/dbraw/zinc/72/33/71/381723371.db2.gz FYBQLJHZPLGVBK-ZSAUSMIDSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415032511 381723388 /nfs/dbraw/zinc/72/33/88/381723388.db2.gz HMAUPIASDMUIEJ-RABLLNBGSA-N 2 0 298.352 2.834 20 0 CFADRP CO[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1C ZINC000343459557 381726854 /nfs/dbraw/zinc/72/68/54/381726854.db2.gz DQCFDOCHJZBALW-DOMZBBRYSA-N 2 0 291.420 2.791 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc2c1CCCN2 ZINC000415037594 381727070 /nfs/dbraw/zinc/72/70/70/381727070.db2.gz OYYMUXOHEWKKJY-HIFRSBDPSA-N 2 0 273.424 2.665 20 0 CFADRP CC(C)C[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415037203 381727157 /nfs/dbraw/zinc/72/71/57/381727157.db2.gz MNCVHXDOPZRVGR-MWDXBVQZSA-N 2 0 258.409 2.624 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000415037952 381727176 /nfs/dbraw/zinc/72/71/76/381727176.db2.gz MXUAGYAYHXHYIH-BXKDBHETSA-N 2 0 256.752 2.696 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415100786 381781418 /nfs/dbraw/zinc/78/14/18/381781418.db2.gz ALAONWYXGTZGME-ZCGHOXCVSA-N 2 0 274.408 2.625 20 0 CFADRP Cc1cc(CC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc(C)c1O ZINC000415111156 381786666 /nfs/dbraw/zinc/78/66/66/381786666.db2.gz UBHQVUVRIBGBGL-GOEBONIOSA-N 2 0 276.424 2.529 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000415108845 381786814 /nfs/dbraw/zinc/78/68/14/381786814.db2.gz PGOBCXPJZONJGK-CZUORRHYSA-N 3 0 293.430 2.508 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCCOC1 ZINC000349002894 381788313 /nfs/dbraw/zinc/78/83/13/381788313.db2.gz JRBNHFVVVJHIRP-GOSISDBHSA-N 2 0 290.451 2.997 20 0 CFADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000360883644 381793000 /nfs/dbraw/zinc/79/30/00/381793000.db2.gz ONWJTZSRQIVPGL-OCCSQVGLSA-N 2 0 287.382 2.999 20 0 CFADRP C[C@H]1CC[N@H+](CCSCc2ccccc2)C[C@@H]1C[NH3+] ZINC000415125368 381795485 /nfs/dbraw/zinc/79/54/85/381795485.db2.gz LARGPAFAKVHNOT-HOCLYGCPSA-N 2 0 278.465 2.837 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C[C@@H]1C[NH3+] ZINC000415127840 381796645 /nfs/dbraw/zinc/79/66/45/381796645.db2.gz NIIFYWYTHVUJAO-PBHICJAKSA-N 2 0 288.435 2.892 20 0 CFADRP c1ccc2cc(OCC[NH2+]CC3CC[NH2+]CC3)ccc2c1 ZINC000415075617 381761246 /nfs/dbraw/zinc/76/12/46/381761246.db2.gz BUTZBUMRMYQULC-UHFFFAOYSA-N 2 0 284.403 2.808 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415075924 381761348 /nfs/dbraw/zinc/76/13/48/381761348.db2.gz FZIBZJMHLSYKDZ-JYJNAYRXSA-N 2 0 276.424 2.740 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CCc1ccccc1Cl ZINC000415075808 381761793 /nfs/dbraw/zinc/76/17/93/381761793.db2.gz AIRVJRYJYUYSGY-ZDUSSCGKSA-N 2 0 254.805 2.846 20 0 CFADRP COc1cc(CC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1C ZINC000415078937 381763137 /nfs/dbraw/zinc/76/31/37/381763137.db2.gz HIQSZGXAOITSFC-GOEBONIOSA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000415080077 381765536 /nfs/dbraw/zinc/76/55/36/381765536.db2.gz KXTATNJNIVOFRI-UHFFFAOYSA-N 2 0 252.789 2.947 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415081966 381767140 /nfs/dbraw/zinc/76/71/40/381767140.db2.gz LBQZGEAVDPMKQN-MAUKXSAKSA-N 2 0 298.434 2.552 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)CC2CCCC2)CC1 ZINC000343519576 381768677 /nfs/dbraw/zinc/76/86/77/381768677.db2.gz BQNZTGNNOAEMDK-MRXNPFEDSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@]1(C[NH2+]CCc2ccc(Cl)s2)CC[NH2+]C1 ZINC000415083389 381769249 /nfs/dbraw/zinc/76/92/49/381769249.db2.gz NHJMBJSRHDRVCW-GFCCVEGCSA-N 2 0 258.818 2.533 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)CC2CCCC2)CC1 ZINC000343519574 381769566 /nfs/dbraw/zinc/76/95/66/381769566.db2.gz BQNZTGNNOAEMDK-INIZCTEOSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415084197 381769580 /nfs/dbraw/zinc/76/95/80/381769580.db2.gz OLIZTXLKSIRMHB-HZPDHXFCSA-N 2 0 260.425 2.824 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000415085470 381771497 /nfs/dbraw/zinc/77/14/97/381771497.db2.gz QGFXANQQSIKEHP-JKSUJKDBSA-N 2 0 263.429 2.784 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH3+])c1ccccc1OC(F)F ZINC000415085543 381771580 /nfs/dbraw/zinc/77/15/80/381771580.db2.gz QJFJESLCUNNDOY-LLVKDONJSA-N 2 0 258.312 2.678 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415084946 381772061 /nfs/dbraw/zinc/77/20/61/381772061.db2.gz RZGQBIKSUXXILG-PMPSAXMXSA-N 2 0 276.424 2.883 20 0 CFADRP Cc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000348936333 381772147 /nfs/dbraw/zinc/77/21/47/381772147.db2.gz SNSOMFACPHDYSR-UHFFFAOYSA-N 2 0 297.512 2.762 20 0 CFADRP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000415087122 381773773 /nfs/dbraw/zinc/77/37/73/381773773.db2.gz KMBHPKCGWKLIAE-XHDPSFHLSA-N 2 0 282.815 2.758 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415087761 381773837 /nfs/dbraw/zinc/77/38/37/381773837.db2.gz WQVQOHWCWDIGSL-JKSUJKDBSA-N 2 0 276.424 2.742 20 0 CFADRP COc1cc(F)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000415087245 381773909 /nfs/dbraw/zinc/77/39/09/381773909.db2.gz KSXMFRCSKWDCMF-VOMCLLRMSA-N 2 0 296.386 2.763 20 0 CFADRP COCc1cc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)ccc1F ZINC000415090098 381774715 /nfs/dbraw/zinc/77/47/15/381774715.db2.gz ZUUXIXHSACVLSN-IUODEOHRSA-N 2 0 280.387 2.592 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089627 381775252 /nfs/dbraw/zinc/77/52/52/381775252.db2.gz YZXRPZAQWLHVSZ-YESZJQIVSA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415090797 381776676 /nfs/dbraw/zinc/77/66/76/381776676.db2.gz ZPDQIGDMGFYJPT-SJLPKXTDSA-N 3 0 295.515 2.865 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000356347863 381845027 /nfs/dbraw/zinc/84/50/27/381845027.db2.gz ZYWYRFUHYHSIHL-FXUDXRNXSA-N 2 0 268.445 2.702 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000356221281 381833113 /nfs/dbraw/zinc/83/31/13/381833113.db2.gz PAPZPAUAOITEDZ-IMJJTQAJSA-N 2 0 250.430 2.862 20 0 CFADRP COC1(C[NH+]2CCC(C[NH+](C)C)CC2)CCCCC1 ZINC000361512497 381838102 /nfs/dbraw/zinc/83/81/02/381838102.db2.gz ZMAFXTAZFRRRQN-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343613068 381841687 /nfs/dbraw/zinc/84/16/87/381841687.db2.gz WPYIQWRECCLTBK-SWLSCSKDSA-N 2 0 287.382 2.999 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](Cc3cccn3C)CC2)CC1 ZINC000372391456 381804119 /nfs/dbraw/zinc/80/41/19/381804119.db2.gz JTLOIKGOQPNBMH-UHFFFAOYSA-N 2 0 289.467 2.969 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000356882888 381882922 /nfs/dbraw/zinc/88/29/22/381882922.db2.gz VRFDOZPRDNXIHY-DZOHQFGASA-N 2 0 288.435 2.522 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000356882891 381883960 /nfs/dbraw/zinc/88/39/60/381883960.db2.gz VRFDOZPRDNXIHY-LEUOFYLZSA-N 2 0 288.435 2.522 20 0 CFADRP Cc1cccc2nc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)cn21 ZINC000292855673 381867224 /nfs/dbraw/zinc/86/72/24/381867224.db2.gz CEVKIYBLGQQNJB-SFHVURJKSA-N 2 0 298.434 2.560 20 0 CFADRP Cc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc[nH+]1 ZINC000343648833 381868375 /nfs/dbraw/zinc/86/83/75/381868375.db2.gz MLYLRLSOKOXQCX-SFHVURJKSA-N 2 0 281.403 2.753 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCOC1 ZINC000356831800 381868722 /nfs/dbraw/zinc/86/87/22/381868722.db2.gz AZVMAPAMQFBRDG-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000361947266 381873162 /nfs/dbraw/zinc/87/31/62/381873162.db2.gz REOQARVSXBVRQC-KBPBESRZSA-N 2 0 256.459 2.590 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000372993737 381905596 /nfs/dbraw/zinc/90/55/96/381905596.db2.gz VRJQPMMOCRVCCK-CABCVRRESA-N 2 0 279.428 2.920 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000356936079 381913743 /nfs/dbraw/zinc/91/37/43/381913743.db2.gz ZSXZPTOPVVBXRS-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)C[C@H]1CCO[C@@H](CC)C1 ZINC000349411859 381929391 /nfs/dbraw/zinc/92/93/91/381929391.db2.gz BJJRLPMJLGCIFH-HOTGVXAUSA-N 2 0 270.461 2.855 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000293035568 381960302 /nfs/dbraw/zinc/96/03/02/381960302.db2.gz ALXRAXBFDGYUBY-RDJZCZTQSA-N 2 0 258.409 2.864 20 0 CFADRP c1c(C[NH2+]CCCCC[NH+]2CCCC2)nc2ccccn12 ZINC000293045364 381964233 /nfs/dbraw/zinc/96/42/33/381964233.db2.gz RCAFQSRGUOKNBF-UHFFFAOYSA-N 2 0 286.423 2.690 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000357025139 381970499 /nfs/dbraw/zinc/97/04/99/381970499.db2.gz YQNYPMVHILFZEB-MDMSPXHWSA-N 2 0 294.483 2.996 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)CC1(SC)CC1 ZINC000349420097 381931920 /nfs/dbraw/zinc/93/19/20/381931920.db2.gz QEZSLSFRQLJGGO-UHFFFAOYSA-N 2 0 256.459 2.690 20 0 CFADRP C1CCC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373293644 381972042 /nfs/dbraw/zinc/97/20/42/381972042.db2.gz OFWPLUCRMIPAEY-JZAWBGDQSA-N 2 0 290.451 2.551 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)CCO1 ZINC000356983895 381943685 /nfs/dbraw/zinc/94/36/85/381943685.db2.gz WVAUZZMTHYPWRZ-HZMVEIRTSA-N 2 0 282.472 2.854 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)CCO1 ZINC000356989100 381945132 /nfs/dbraw/zinc/94/51/32/381945132.db2.gz KXUAIIXXJSLBGS-WCXIOVBPSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCC(C)C)C[C@H]1C ZINC000362184208 381949040 /nfs/dbraw/zinc/94/90/40/381949040.db2.gz RUVNYFIOKOXFJS-HZPDHXFCSA-N 2 0 270.461 2.854 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000186568621 381950435 /nfs/dbraw/zinc/95/04/35/381950435.db2.gz UPMJOKXCLRRXDW-RAIGVLPGSA-N 2 0 267.442 2.627 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000186568662 381950474 /nfs/dbraw/zinc/95/04/74/381950474.db2.gz NXHPJYSLHQOVHI-HUUCEWRRSA-N 2 0 293.455 2.519 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@@H](CC)C2)C1 ZINC000356998161 381950709 /nfs/dbraw/zinc/95/07/09/381950709.db2.gz SQGXLPAPKHNTSG-ULQDDVLXSA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000357070271 381998359 /nfs/dbraw/zinc/99/83/59/381998359.db2.gz ANLOTTPZKHDYDT-MRXNPFEDSA-N 2 0 262.397 2.579 20 0 CFADRP COc1ccc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357075683 381999716 /nfs/dbraw/zinc/99/97/16/381999716.db2.gz IXSNGKCYEXAEJW-QGZVFWFLSA-N 2 0 288.435 2.559 20 0 CFADRP CCCC[N@H+](CCOCC[NH3+])Cc1ccccc1Cl ZINC000357077781 382000035 /nfs/dbraw/zinc/00/00/35/382000035.db2.gz QGOXSSFAKZEQKY-UHFFFAOYSA-N 2 0 284.831 2.917 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCOC2)CC1)CC1CC1 ZINC000357084620 382002957 /nfs/dbraw/zinc/00/29/57/382002957.db2.gz LRNAXNXKOFPCAL-SFHVURJKSA-N 2 0 294.483 2.857 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCOC2)CC1)CC1CC1 ZINC000357084619 382003436 /nfs/dbraw/zinc/00/34/36/382003436.db2.gz LRNAXNXKOFPCAL-GOSISDBHSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357084191 382003634 /nfs/dbraw/zinc/00/36/34/382003634.db2.gz ZGBSZZRNMMTRBM-OLZOCXBDSA-N 2 0 284.831 2.739 20 0 CFADRP [NH3+]CCOCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000357094419 382004583 /nfs/dbraw/zinc/00/45/83/382004583.db2.gz ZOGAFMAXXBJPNI-QGZVFWFLSA-N 2 0 274.408 2.504 20 0 CFADRP Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc[nH+]1 ZINC000373455740 382009168 /nfs/dbraw/zinc/00/91/68/382009168.db2.gz WTILHPIRCCBAGD-QGZVFWFLSA-N 2 0 296.418 2.531 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC000293069625 381977481 /nfs/dbraw/zinc/97/74/81/381977481.db2.gz VHKZKMXUIBICRQ-INIZCTEOSA-N 2 0 262.372 2.743 20 0 CFADRP CC[N@H+](CCOCC[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000357066788 381994890 /nfs/dbraw/zinc/99/48/90/381994890.db2.gz CEOORLZTQTXICM-ZDUSSCGKSA-N 2 0 276.380 2.791 20 0 CFADRP CCCC[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343974360 382042800 /nfs/dbraw/zinc/04/28/00/382042800.db2.gz GDXPNDHDKRGOPF-CQSZACIVSA-N 2 0 279.428 2.690 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343979035 382045778 /nfs/dbraw/zinc/04/57/78/382045778.db2.gz IPTDZZCXZDZKQI-ZBFHGGJFSA-N 2 0 291.439 2.690 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293249286 382048423 /nfs/dbraw/zinc/04/84/23/382048423.db2.gz BNFZBWGCJWBHGC-CABCVRRESA-N 2 0 294.439 2.560 20 0 CFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C(C)(C)C ZINC000343993192 382053421 /nfs/dbraw/zinc/05/34/21/382053421.db2.gz RSNNLUPZGNXTAN-INIZCTEOSA-N 2 0 293.455 2.936 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000300064322 382057346 /nfs/dbraw/zinc/05/73/46/382057346.db2.gz RUKOEGFPYRAWOC-IRXDYDNUSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@H](F)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351723217 382059539 /nfs/dbraw/zinc/05/95/39/382059539.db2.gz YGGOSQXCHHSXKF-MELADBBJSA-N 2 0 256.409 2.977 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000186800932 382018513 /nfs/dbraw/zinc/01/85/13/382018513.db2.gz MRQDRJOHZVYCEL-IAGOWNOFSA-N 2 0 280.456 2.677 20 0 CFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000293187471 382023058 /nfs/dbraw/zinc/02/30/58/382023058.db2.gz HSIAHVHZISXADE-HOTGVXAUSA-N 2 0 294.464 2.524 20 0 CFADRP C(C[NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000373697217 382024680 /nfs/dbraw/zinc/02/46/80/382024680.db2.gz PGPCTJQBJLPSSB-BBWFWOEESA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000373710289 382025909 /nfs/dbraw/zinc/02/59/09/382025909.db2.gz DRDVPJGGXFAXIM-YESZJQIVSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000186899992 382040709 /nfs/dbraw/zinc/04/07/09/382040709.db2.gz DSTSJQXCJSJWPF-ROUUACIJSA-N 2 0 296.499 2.837 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1cccnc1 ZINC000344069843 382107110 /nfs/dbraw/zinc/10/71/10/382107110.db2.gz LHGWLOGNBUFKTD-ZDUSSCGKSA-N 2 0 293.374 2.822 20 0 CFADRP COCc1ccccc1/C=C(\C)C[NH2+]CCC[NH+](C)C ZINC000351995527 382114125 /nfs/dbraw/zinc/11/41/25/382114125.db2.gz QNNLOFRCELYAOI-NTCAYCPXSA-N 2 0 276.424 2.778 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CC[NH+](C)C)C[C@H]1OC ZINC000344030976 382079058 /nfs/dbraw/zinc/07/90/58/382079058.db2.gz ZYRWKRAMAIRWOC-MGPQQGTHSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCCCF)CC2)CC1 ZINC000375299109 382079284 /nfs/dbraw/zinc/07/92/84/382079284.db2.gz ZRYHEPYMKQVKRS-UHFFFAOYSA-N 2 0 299.478 2.617 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344033101 382081137 /nfs/dbraw/zinc/08/11/37/382081137.db2.gz KZBVJEHXRRUZKF-QGZVFWFLSA-N 2 0 294.414 2.761 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000375344229 382082110 /nfs/dbraw/zinc/08/21/10/382082110.db2.gz CBKKGOZQORMCPM-UHOFOFEASA-N 2 0 292.398 2.969 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000417868357 382089271 /nfs/dbraw/zinc/08/92/71/382089271.db2.gz KFEZCQIBSDUIGZ-HNNXBMFYSA-N 2 0 278.444 2.647 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000417865453 382089496 /nfs/dbraw/zinc/08/94/96/382089496.db2.gz HQHCANNDNFALGT-IYBDPMFKSA-N 2 0 292.471 2.751 20 0 CFADRP Cc1nc2cc(NC(=O)CC3CC[NH+](C)CC3)ccc2[nH]1 ZINC000362475856 382091313 /nfs/dbraw/zinc/09/13/13/382091313.db2.gz CEAYFWIIVPUYSH-UHFFFAOYSA-N 2 0 286.379 2.542 20 0 CFADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C[NH+](C)C ZINC000293366776 382094978 /nfs/dbraw/zinc/09/49/78/382094978.db2.gz HSGGKBCVTHLRKS-RHSMWYFYSA-N 2 0 260.425 2.795 20 0 CFADRP CC[N@@H+]1CCCN(c2ccnc3cc(F)ccc32)CC1 ZINC000301559993 382177504 /nfs/dbraw/zinc/17/75/04/382177504.db2.gz XRUYDRLDMDIHTP-UHFFFAOYSA-N 2 0 273.355 2.906 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000344114424 382136846 /nfs/dbraw/zinc/13/68/46/382136846.db2.gz VUHNBFVWCLYIFC-DDBAPUKQSA-N 2 0 288.435 2.979 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(CCCCO2)C1 ZINC000376467029 382137502 /nfs/dbraw/zinc/13/75/02/382137502.db2.gz CDHVYXCOUDRBGZ-CVEARBPZSA-N 2 0 266.429 2.506 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000352040135 382144681 /nfs/dbraw/zinc/14/46/81/382144681.db2.gz MJYIBTIQRMQKTI-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP CC/C=C\CC[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344138129 382153345 /nfs/dbraw/zinc/15/33/45/382153345.db2.gz WYKIPDLRTXQJCZ-FPLPWBNLSA-N 2 0 281.488 2.692 20 0 CFADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344156989 382167238 /nfs/dbraw/zinc/16/72/38/382167238.db2.gz XKZNYWWSOMNKFN-IAGOWNOFSA-N 2 0 280.456 2.611 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352147595 382194945 /nfs/dbraw/zinc/19/49/45/382194945.db2.gz BDYFUNSGKLFWPC-HNNXBMFYSA-N 2 0 298.434 2.519 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000293627075 382203008 /nfs/dbraw/zinc/20/30/08/382203008.db2.gz JYXQAWQDHHFAQG-STQMWFEESA-N 2 0 280.412 2.552 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000344218662 382205529 /nfs/dbraw/zinc/20/55/29/382205529.db2.gz MRWAYMPIHQFFHY-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1 ZINC000302225025 382219190 /nfs/dbraw/zinc/21/91/90/382219190.db2.gz QXGKJHJOCVHADN-UHFFFAOYSA-N 2 0 282.391 2.862 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000362978284 382223886 /nfs/dbraw/zinc/22/38/86/382223886.db2.gz YPHUQXMAZXSITG-SOUVJXGZSA-N 2 0 256.434 2.558 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000680329880 542303920 /nfs/dbraw/zinc/30/39/20/542303920.db2.gz SRJXGBDFMFRAAZ-QGZVFWFLSA-N 2 0 282.391 2.950 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000293679515 382229531 /nfs/dbraw/zinc/22/95/31/382229531.db2.gz KGWVVCWUJOAKDY-KRWDZBQOSA-N 2 0 288.435 2.592 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)CC1 ZINC000377527334 382283320 /nfs/dbraw/zinc/28/33/20/382283320.db2.gz ZWHFYPGDZTZBOG-SJORKVTESA-N 2 0 276.424 2.526 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@](C)(O)c2ccccc2)CC1 ZINC000187897012 382289596 /nfs/dbraw/zinc/28/95/96/382289596.db2.gz WTOKSPGJYXXXDO-SFHVURJKSA-N 2 0 290.451 2.748 20 0 CFADRP C[C@](O)(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000187891620 382290555 /nfs/dbraw/zinc/29/05/55/382290555.db2.gz AZHFPCXPIVRNBM-KSZLIROESA-N 2 0 288.435 2.501 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccsc1 ZINC000187704666 382251274 /nfs/dbraw/zinc/25/12/74/382251274.db2.gz ODOWRGWQESZCHH-INIZCTEOSA-N 2 0 296.480 2.883 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCOCC2CCC2)CC1 ZINC000419230649 382253023 /nfs/dbraw/zinc/25/30/23/382253023.db2.gz QAXLNTPOWUDAKW-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000419236567 382255855 /nfs/dbraw/zinc/25/58/55/382255855.db2.gz FEFCIHFORCLXSC-OFQRWUPVSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+](CC)CCCNc1cc[nH+]cc1-c1cccnc1 ZINC000377395006 382262391 /nfs/dbraw/zinc/26/23/91/382262391.db2.gz VQKMIZSADFVJJN-UHFFFAOYSA-N 2 0 284.407 2.709 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CC2CCCCCC2)CC1 ZINC000344640591 382270840 /nfs/dbraw/zinc/27/08/40/382270840.db2.gz LXRXKYCBTBBZTQ-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000293767978 382271180 /nfs/dbraw/zinc/27/11/80/382271180.db2.gz SMWWVLYXQYFAHO-UKRRQHHQSA-N 2 0 292.423 2.696 20 0 CFADRP C(C[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364149544 382272922 /nfs/dbraw/zinc/27/29/22/382272922.db2.gz ZWHIFMNFBRUSGJ-GOSISDBHSA-N 2 0 293.499 2.813 20 0 CFADRP COCCC1(C[N@@H+]2CCN3CCC2CC3)CCCCC1 ZINC000377627887 382306657 /nfs/dbraw/zinc/30/66/57/382306657.db2.gz PNXGLAVIULDSGR-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1cc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000364346789 382313199 /nfs/dbraw/zinc/31/31/99/382313199.db2.gz CHYFHJGAXPNDAO-CJNGLKHVSA-N 2 0 287.432 2.978 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(F)c1 ZINC000187975991 382313553 /nfs/dbraw/zinc/31/35/53/382313553.db2.gz KFTVXIGJAMQQFH-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187983190 382316556 /nfs/dbraw/zinc/31/65/56/382316556.db2.gz DZGPEUFPYOXWFH-RHSMWYFYSA-N 2 0 293.430 2.502 20 0 CFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352420301 382322543 /nfs/dbraw/zinc/32/25/43/382322543.db2.gz BEEZAEVGXMQOIL-OCCSQVGLSA-N 2 0 299.459 2.953 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CCO)CC3)CC2)C1 ZINC000188077035 382339408 /nfs/dbraw/zinc/33/94/08/382339408.db2.gz WBHLULDMRYPVQS-DOTOQJQBSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(C(F)(F)F)cn1 ZINC000420291934 382343747 /nfs/dbraw/zinc/34/37/47/382343747.db2.gz OPOWKLHUCLMKKF-ZDUSSCGKSA-N 2 0 289.345 2.906 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000357848613 382348978 /nfs/dbraw/zinc/34/89/78/382348978.db2.gz KWVOTRBAMLJTJU-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP COc1ccc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420299474 382349167 /nfs/dbraw/zinc/34/91/67/382349167.db2.gz ITHCNHAVEQBGRN-OAHLLOKOSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299267 382349491 /nfs/dbraw/zinc/34/94/91/382349491.db2.gz IPDJALVDEQQHHB-BFYDXBDKSA-N 2 0 258.409 2.864 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000420298531 382349563 /nfs/dbraw/zinc/34/95/63/382349563.db2.gz HOLILKLUSVRJHE-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420300933 382351151 /nfs/dbraw/zinc/35/11/51/382351151.db2.gz ICXHUCZQQYOZDD-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]21 ZINC000420301943 382351712 /nfs/dbraw/zinc/35/17/12/382351712.db2.gz FMETVZSYSLUMPM-QJPTWQEYSA-N 2 0 264.335 2.778 20 0 CFADRP c1ccc(C[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420301749 382352137 /nfs/dbraw/zinc/35/21/37/382352137.db2.gz JBFPZLSTEFQWQT-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000420304890 382353420 /nfs/dbraw/zinc/35/34/20/382353420.db2.gz JJWCEFVENRXUOS-FIXISWKDSA-N 2 0 264.800 2.996 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420303821 382353794 /nfs/dbraw/zinc/35/37/94/382353794.db2.gz NPQYFHKPVLHGJB-KBPBESRZSA-N 2 0 262.397 2.775 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC2CCCC2)cc1 ZINC000420303402 382353979 /nfs/dbraw/zinc/35/39/79/382353979.db2.gz NHJAMDSMTAINTE-INIZCTEOSA-N 2 0 276.424 2.860 20 0 CFADRP Fc1cccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420304401 382354122 /nfs/dbraw/zinc/35/41/22/382354122.db2.gz OJKLMWKCXDFARO-HNNXBMFYSA-N 2 0 276.399 2.832 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]12 ZINC000420305843 382355155 /nfs/dbraw/zinc/35/51/55/382355155.db2.gz KOHFUYDEDOFKOW-YYQUZTFQSA-N 2 0 274.383 2.872 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000680475303 542328962 /nfs/dbraw/zinc/32/89/62/542328962.db2.gz FWXJWFGWBYLNLK-UHFFFAOYSA-N 2 0 299.418 2.654 20 0 CFADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420309492 382357196 /nfs/dbraw/zinc/35/71/96/382357196.db2.gz UAPAZCJWJLXWLY-NUJGCVRESA-N 2 0 288.435 2.838 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420309603 382357690 /nfs/dbraw/zinc/35/76/90/382357690.db2.gz OUTSPVMOBPGHIN-IACUBPJLSA-N 2 0 262.422 2.578 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420308598 382358321 /nfs/dbraw/zinc/35/83/21/382358321.db2.gz SKUGESFFHAHUKQ-LLVKDONJSA-N 2 0 270.779 2.911 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C)(C)CC2)cc1 ZINC000420308911 382358683 /nfs/dbraw/zinc/35/86/83/382358683.db2.gz SNOZHKCZHGAISL-HNNXBMFYSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000420311401 382360315 /nfs/dbraw/zinc/36/03/15/382360315.db2.gz GZSASTGFKXGKAA-WDEREUQCSA-N 2 0 286.778 2.527 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420390686 382396817 /nfs/dbraw/zinc/39/68/17/382396817.db2.gz ADMMNSOKWWTSTI-HZPDHXFCSA-N 2 0 298.434 2.913 20 0 CFADRP CC(C)[C@@H](CO)[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420315170 382362999 /nfs/dbraw/zinc/36/29/99/382362999.db2.gz ZWLYPWJPNJLOEU-SJLPKXTDSA-N 2 0 290.451 2.505 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](CC(C)C)C2CC2)cc1 ZINC000420316084 382363667 /nfs/dbraw/zinc/36/36/67/382363667.db2.gz MJDGETCJTIKASJ-OAHLLOKOSA-N 2 0 276.424 2.858 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C(C)C)C2CC2)cc1 ZINC000420320000 382366569 /nfs/dbraw/zinc/36/65/69/382366569.db2.gz PWYVZKVUKKLRBQ-AWEZNQCLSA-N 2 0 262.397 2.610 20 0 CFADRP C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)CC1CCOCC1 ZINC000420321589 382366800 /nfs/dbraw/zinc/36/68/00/382366800.db2.gz CYGHXNIXPKRPEB-MSOLQXFVSA-N 2 0 294.483 2.905 20 0 CFADRP c1cc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc2)n[nH]1 ZINC000420320887 382366977 /nfs/dbraw/zinc/36/69/77/382366977.db2.gz QPMRTVAYYMXNAL-MRXNPFEDSA-N 2 0 298.434 2.802 20 0 CFADRP c1csc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420322518 382368775 /nfs/dbraw/zinc/36/87/75/382368775.db2.gz SPSTXKHMFILRRR-CYBMUJFWSA-N 2 0 279.453 2.712 20 0 CFADRP Cc1cn2c(n1)CC[C@@H](Nc1ccnc3ccsc31)C2 ZINC000365263225 382368818 /nfs/dbraw/zinc/36/88/18/382368818.db2.gz XLVZFGDAGAUJFI-LLVKDONJSA-N 2 0 284.388 2.650 20 0 CFADRP O=C(c1ccccc1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420327347 382370914 /nfs/dbraw/zinc/37/09/14/382370914.db2.gz YKNZNDKQJCHZOS-OAHLLOKOSA-N 2 0 286.419 2.581 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330572 382373693 /nfs/dbraw/zinc/37/36/93/382373693.db2.gz AWFPVUGHCIVMDJ-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1c(Br)cccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000420330678 382373718 /nfs/dbraw/zinc/37/37/18/382373718.db2.gz LNRJEJHBVVJPBY-UHFFFAOYSA-N 2 0 283.213 2.679 20 0 CFADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)OC1CCCCCC1 ZINC000420329816 382374121 /nfs/dbraw/zinc/37/41/21/382374121.db2.gz HNTJPZZBDGKICV-IYBDPMFKSA-N 2 0 280.456 2.657 20 0 CFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339044 382375436 /nfs/dbraw/zinc/37/54/36/382375436.db2.gz LPIRWUXYGIFUEL-CABCVRRESA-N 2 0 292.398 2.526 20 0 CFADRP C[N@H+](CCOc1ccccc1C(F)(F)F)C1CC([NH3+])C1 ZINC000420340750 382375811 /nfs/dbraw/zinc/37/58/11/382375811.db2.gz UHHDRFSAJWKJIP-UHFFFAOYSA-N 2 0 288.313 2.506 20 0 CFADRP C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)CC1CCOCC1 ZINC000420349574 382376519 /nfs/dbraw/zinc/37/65/19/382376519.db2.gz PQDFPTOXJMPFTL-KRWDZBQOSA-N 2 0 280.456 2.659 20 0 CFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345611 382377364 /nfs/dbraw/zinc/37/73/64/382377364.db2.gz ZZPMNCKGJBWMGC-VUCTXSBTSA-N 2 0 292.398 2.715 20 0 CFADRP CCN1CC[C@@H]([NH2+]CCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420395860 382397741 /nfs/dbraw/zinc/39/77/41/382397741.db2.gz DSOXNVAJTANNFE-CABCVRRESA-N 2 0 299.821 2.553 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000420352775 382378967 /nfs/dbraw/zinc/37/89/67/382378967.db2.gz ATCHDTSMRLALAN-CQSZACIVSA-N 2 0 282.815 2.697 20 0 CFADRP Cc1nc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cs1 ZINC000420356218 382380296 /nfs/dbraw/zinc/38/02/96/382380296.db2.gz GFNKUWYZVCEYOR-TZMCWYRMSA-N 2 0 265.426 2.588 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420395148 382397965 /nfs/dbraw/zinc/39/79/65/382397965.db2.gz CXGZXBIHGLTRLI-HOTGVXAUSA-N 2 0 268.445 2.559 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)ccn1 ZINC000420359835 382381912 /nfs/dbraw/zinc/38/19/12/382381912.db2.gz KXNBTLKAHNDRFS-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)ccn1 ZINC000420359842 382382425 /nfs/dbraw/zinc/38/24/25/382382425.db2.gz KXNBTLKAHNDRFS-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420397803 382398052 /nfs/dbraw/zinc/39/80/52/382398052.db2.gz GHKCASRJTVVZPF-GHMZBOCLSA-N 2 0 254.324 2.615 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420360611 382383920 /nfs/dbraw/zinc/38/39/20/382383920.db2.gz GLWBYKRVKLONEC-GOSISDBHSA-N 2 0 288.435 2.703 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000420364431 382385996 /nfs/dbraw/zinc/38/59/96/382385996.db2.gz CVZZXQWOOHQPBO-LBPRGKRZSA-N 2 0 285.457 2.543 20 0 CFADRP CC1CCN(CC[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352567707 382398168 /nfs/dbraw/zinc/39/81/68/382398168.db2.gz OCEUVTZLBVRFFN-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420365693 382387590 /nfs/dbraw/zinc/38/75/90/382387590.db2.gz FDYCKUAPJCNNDO-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541039 382388648 /nfs/dbraw/zinc/38/86/48/382388648.db2.gz SUGZTNIKEZRFAS-SJLPKXTDSA-N 2 0 272.436 2.941 20 0 CFADRP [NH3+]CC[C@@H]1CCCCN1Cc1cccc2c1OCCCO2 ZINC000352541256 382388719 /nfs/dbraw/zinc/38/87/19/382388719.db2.gz VPLMRMUDJBHUEM-HNNXBMFYSA-N 2 0 290.407 2.551 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000352545208 382389697 /nfs/dbraw/zinc/38/96/97/382389697.db2.gz HELIQJVYFBKPLI-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000352545206 382390002 /nfs/dbraw/zinc/39/00/02/382390002.db2.gz HELIQJVYFBKPLI-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H]1COc2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420379375 382394657 /nfs/dbraw/zinc/39/46/57/382394657.db2.gz VNQJISBFOYJVMU-CABCVRRESA-N 2 0 274.408 2.659 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420295576 382347965 /nfs/dbraw/zinc/34/79/65/382347965.db2.gz PPRWCYNXYMELMJ-GFCCVEGCSA-N 2 0 299.418 2.718 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2COc3c(C)cccc3C2)CC1 ZINC000377796833 382348013 /nfs/dbraw/zinc/34/80/13/382348013.db2.gz VIYXFWAXPFMDRY-KRWDZBQOSA-N 2 0 288.435 2.763 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000305106027 382424103 /nfs/dbraw/zinc/42/41/03/382424103.db2.gz BLKUNVROMJEEPP-MXSMSXNCSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1C ZINC000352635062 382426082 /nfs/dbraw/zinc/42/60/82/382426082.db2.gz BQWQYXBSYQYEDA-GDBMZVCRSA-N 2 0 298.434 2.659 20 0 CFADRP C[C@@H]1C[NH+](CCCNc2cc[nH+]c3ccccc23)C[C@@H](C)O1 ZINC000346597995 382430223 /nfs/dbraw/zinc/43/02/23/382430223.db2.gz AJZMAQVWHLDQMS-HUUCEWRRSA-N 2 0 299.418 2.568 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000305164795 382430983 /nfs/dbraw/zinc/43/09/83/382430983.db2.gz YCMOVPWYATYJPG-GJZGRUSLSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH+]1CCC(C[NH3+])CC1 ZINC000346610896 382436399 /nfs/dbraw/zinc/43/63/99/382436399.db2.gz FDLRNROKDIDSHA-OAHLLOKOSA-N 2 0 260.425 2.926 20 0 CFADRP COc1ccc(CN2CCC[NH2+]CC2)cc1OCC(C)C ZINC000346638307 382448414 /nfs/dbraw/zinc/44/84/14/382448414.db2.gz IQKWNBPNWNIQEW-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP c1ccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000346626054 382443425 /nfs/dbraw/zinc/44/34/25/382443425.db2.gz MUXFQALHNLNYDQ-UHFFFAOYSA-N 2 0 290.370 2.956 20 0 CFADRP CC[C@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+](C)C ZINC000188360983 382399654 /nfs/dbraw/zinc/39/96/54/382399654.db2.gz YBLFOHBZRQMIAD-MRXNPFEDSA-N 2 0 291.439 2.807 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403130 382399759 /nfs/dbraw/zinc/39/97/59/382399759.db2.gz KQUPBXYYUSHUCS-WBVHZDCISA-N 2 0 260.425 2.844 20 0 CFADRP COC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000420404218 382400019 /nfs/dbraw/zinc/40/00/19/382400019.db2.gz LYPFFXXERLUQFV-MRXNPFEDSA-N 2 0 298.377 2.632 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403126 382400310 /nfs/dbraw/zinc/40/03/10/382400310.db2.gz KQUPBXYYUSHUCS-NVXWUHKLSA-N 2 0 260.425 2.844 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420409171 382401930 /nfs/dbraw/zinc/40/19/30/382401930.db2.gz WRDRNICMOUBXRY-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000358001154 382404421 /nfs/dbraw/zinc/40/44/21/382404421.db2.gz DMBZRQVUXGIAFS-PWSUYJOCSA-N 2 0 272.845 2.874 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000378161188 382408419 /nfs/dbraw/zinc/40/84/19/382408419.db2.gz PUIMQRKMZYAQJR-WBVHZDCISA-N 2 0 288.435 2.654 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000358018661 382412573 /nfs/dbraw/zinc/41/25/73/382412573.db2.gz IYAYNLSKQPYBCV-HOTGVXAUSA-N 2 0 276.424 2.612 20 0 CFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCO[C@H](C)C1)CC2 ZINC000352607945 382414108 /nfs/dbraw/zinc/41/41/08/382414108.db2.gz BXWLBKNWBRILHM-TWMKSMIVSA-N 2 0 280.456 2.749 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000346634743 382447053 /nfs/dbraw/zinc/44/70/53/382447053.db2.gz GLHAKOMAQQQSQD-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000304743251 382416534 /nfs/dbraw/zinc/41/65/34/382416534.db2.gz UPWFXXIWYJBUFC-AQFXKWCLSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000358026834 382417669 /nfs/dbraw/zinc/41/76/69/382417669.db2.gz VGXFLKIGDKZYQO-SWLSCSKDSA-N 2 0 282.815 2.649 20 0 CFADRP Cc1sccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000294110932 382419644 /nfs/dbraw/zinc/41/96/44/382419644.db2.gz FUGRBEMFEHOVIJ-LSDHHAIUSA-N 2 0 264.438 2.973 20 0 CFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000346641244 382450288 /nfs/dbraw/zinc/45/02/88/382450288.db2.gz BJYOFLZZHZMAIQ-KGLIPLIRSA-N 2 0 297.468 2.800 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000346643351 382451868 /nfs/dbraw/zinc/45/18/68/382451868.db2.gz CWIBIJFSGORWOA-GXSJLCMTSA-N 2 0 288.313 2.596 20 0 CFADRP CN(Cc1cnc(-c2ccncc2)s1)CC(C)(C)C[NH3+] ZINC000346643318 382451901 /nfs/dbraw/zinc/45/19/01/382451901.db2.gz CPQAFAPPCHRZBF-UHFFFAOYSA-N 2 0 290.436 2.622 20 0 CFADRP Fc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000358102091 382453346 /nfs/dbraw/zinc/45/33/46/382453346.db2.gz VNFZXCNOSAALOO-IJEWVQPXSA-N 2 0 290.382 2.866 20 0 CFADRP Cc1ccc(CC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000346645901 382453411 /nfs/dbraw/zinc/45/34/11/382453411.db2.gz QIDBAENEUXKITC-UHFFFAOYSA-N 2 0 260.425 2.811 20 0 CFADRP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2cccnc12 ZINC000346651297 382456253 /nfs/dbraw/zinc/45/62/53/382456253.db2.gz HEJHTDAOCUTTRZ-UHFFFAOYSA-N 2 0 271.408 2.960 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000352722202 382459304 /nfs/dbraw/zinc/45/93/04/382459304.db2.gz OANVWCMPFIEUEK-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358127339 382461019 /nfs/dbraw/zinc/46/10/19/382461019.db2.gz JOGPQTBAVXUBKW-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCC2 ZINC000378452168 382464429 /nfs/dbraw/zinc/46/44/29/382464429.db2.gz GFEGUJYTWZJRJT-JKSUJKDBSA-N 2 0 278.440 2.576 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358137418 382464760 /nfs/dbraw/zinc/46/47/60/382464760.db2.gz GRJJIBYPCHGESF-GDBMZVCRSA-N 2 0 299.418 2.543 20 0 CFADRP Cc1[nH+]ccc(N(C)CC2CC[NH+](C)CC2)c1Cl ZINC000352751039 382466103 /nfs/dbraw/zinc/46/61/03/382466103.db2.gz ZFVKYNHPFVAXCD-UHFFFAOYSA-N 2 0 267.804 2.821 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000346677718 382467610 /nfs/dbraw/zinc/46/76/10/382467610.db2.gz LIHWWOFEHKLICU-ZFWWWQNUSA-N 2 0 284.407 2.554 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000310459737 382495326 /nfs/dbraw/zinc/49/53/26/382495326.db2.gz ANOVSXYCSVCNQW-NXEZZACHSA-N 2 0 255.431 2.928 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000352807755 382476386 /nfs/dbraw/zinc/47/63/86/382476386.db2.gz AARNQKVCGLYSPG-RDJZCZTQSA-N 2 0 294.483 2.804 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+](C)C ZINC000310766274 382496933 /nfs/dbraw/zinc/49/69/33/382496933.db2.gz NUXWJBQSZLHJPN-IJLUTSLNSA-N 2 0 266.351 2.895 20 0 CFADRP CSC1(C[NH2+]Cc2ccsc2)CC[NH+](C)CC1 ZINC000353187710 382522084 /nfs/dbraw/zinc/52/20/84/382522084.db2.gz GAUGPVRAEBQHHJ-UHFFFAOYSA-N 2 0 270.467 2.665 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC2CCC1CC2 ZINC000382228175 382529314 /nfs/dbraw/zinc/52/93/14/382529314.db2.gz VBOVKOLSJNEDMR-VLSVSDDBSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]c2ccccc12 ZINC000346755089 382500123 /nfs/dbraw/zinc/50/01/23/382500123.db2.gz YOPDTOYZLWEKIA-CQSZACIVSA-N 2 0 269.392 2.943 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379621118 382507135 /nfs/dbraw/zinc/50/71/35/382507135.db2.gz FBKRBYVPBQMDDA-SOLBZPMBSA-N 2 0 289.467 2.757 20 0 CFADRP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000311813813 382508762 /nfs/dbraw/zinc/50/87/62/382508762.db2.gz CXMPELYVUDQQLL-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000311908306 382509119 /nfs/dbraw/zinc/50/91/19/382509119.db2.gz GYTXLLMSYWNFDZ-CZUORRHYSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000358221574 382511161 /nfs/dbraw/zinc/51/11/61/382511161.db2.gz GXHMZMUVRDCXRL-KBXCAEBGSA-N 2 0 272.436 2.721 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CCCCC2 ZINC000421338784 382511408 /nfs/dbraw/zinc/51/14/08/382511408.db2.gz FSBCDURAJWZHNS-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@@H]21 ZINC000346821107 382528717 /nfs/dbraw/zinc/52/87/17/382528717.db2.gz LHJPCGSGCPVLJC-BHYGNILZSA-N 2 0 296.418 2.636 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)C[NH+](C)C ZINC000380920051 382516133 /nfs/dbraw/zinc/51/61/33/382516133.db2.gz CQJMXSIDYOPBBZ-LLVKDONJSA-N 2 0 256.340 2.912 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)C[NH+](C)C ZINC000380920052 382516338 /nfs/dbraw/zinc/51/63/38/382516338.db2.gz CQJMXSIDYOPBBZ-NSHDSACASA-N 2 0 256.340 2.912 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000346799820 382516699 /nfs/dbraw/zinc/51/66/99/382516699.db2.gz OOKOAXBQQYLWJF-CMPLNLGQSA-N 2 0 286.341 2.719 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000346799824 382517061 /nfs/dbraw/zinc/51/70/61/382517061.db2.gz OOKOAXBQQYLWJF-PWSUYJOCSA-N 2 0 286.341 2.719 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366492072 382519096 /nfs/dbraw/zinc/51/90/96/382519096.db2.gz UCXZCZDQSDBMBD-FUHWJXTLSA-N 2 0 272.436 2.893 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000358236323 382519176 /nfs/dbraw/zinc/51/91/76/382519176.db2.gz ZWWFDBOFEHSRHV-KDOFPFPSSA-N 2 0 272.436 2.864 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC[NH+](C)CC1 ZINC000353609150 382575874 /nfs/dbraw/zinc/57/58/74/382575874.db2.gz AQZBGMCAXSXZHL-GJZGRUSLSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H](C[NH2+]C[C@@]1(C)CCCS1)C[NH+]1CCCC1 ZINC000327872680 382545637 /nfs/dbraw/zinc/54/56/37/382545637.db2.gz KFJUDFXNAMCHSN-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1sccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000383792296 382547233 /nfs/dbraw/zinc/54/72/33/382547233.db2.gz RGAPFUVPMXCFDS-ZDUSSCGKSA-N 2 0 252.427 2.876 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C[NH+]1CCCCC1 ZINC000353455013 382547232 /nfs/dbraw/zinc/54/72/32/382547232.db2.gz NJKMWKUHPMCDLO-XMTFNYHQSA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]21 ZINC000346856410 382547327 /nfs/dbraw/zinc/54/73/27/382547327.db2.gz WDCHJOCNYYIICL-USXIJHARSA-N 2 0 296.418 2.636 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC000346863011 382550332 /nfs/dbraw/zinc/55/03/32/382550332.db2.gz LRZUIKPVCOWWSE-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189128972 382551458 /nfs/dbraw/zinc/55/14/58/382551458.db2.gz YLQZGQFKMFZXPP-NVXWUHKLSA-N 2 0 292.467 2.800 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000384321048 382551865 /nfs/dbraw/zinc/55/18/65/382551865.db2.gz OVZJDPNDNLHKHO-DJIMGWMZSA-N 2 0 276.424 2.621 20 0 CFADRP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000384328908 382552405 /nfs/dbraw/zinc/55/24/05/382552405.db2.gz SYVGNSFGLQWHTO-RCCFBDPRSA-N 2 0 288.435 2.765 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353498626 382553249 /nfs/dbraw/zinc/55/32/49/382553249.db2.gz ARFDFTQCWVRMLY-RCCFBDPRSA-N 2 0 287.451 2.715 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000353515279 382556563 /nfs/dbraw/zinc/55/65/63/382556563.db2.gz HXJURTVGXAUWQL-YLFCFFPRSA-N 2 0 282.472 2.900 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000353515278 382556743 /nfs/dbraw/zinc/55/67/43/382556743.db2.gz HXJURTVGXAUWQL-WCXIOVBPSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)C1CCOCC1)[NH+]1CCCCC1 ZINC000346880127 382557087 /nfs/dbraw/zinc/55/70/87/382557087.db2.gz MSOCGXZNRMQQHY-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358304428 382557583 /nfs/dbraw/zinc/55/75/83/382557583.db2.gz SYAFGFJFVJCHTP-XQQFMLRXSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000384788362 382558499 /nfs/dbraw/zinc/55/84/99/382558499.db2.gz VFMCTKWLUVRHJB-UHFFFAOYSA-N 2 0 258.287 2.627 20 0 CFADRP COc1ccc2cc(C[N@H+](C)C3CC([NH3+])C3)ccc2c1 ZINC000384864526 382559412 /nfs/dbraw/zinc/55/94/12/382559412.db2.gz DZVXDWMETKTVKO-UHFFFAOYSA-N 2 0 270.376 2.770 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000680637852 542342866 /nfs/dbraw/zinc/34/28/66/542342866.db2.gz UCUKNGNPUXIGMF-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccncc1F ZINC000353590202 382567687 /nfs/dbraw/zinc/56/76/87/382567687.db2.gz IRUXRMPTXHFAJT-HIFPTAJRSA-N 2 0 265.376 2.744 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000367526796 382574006 /nfs/dbraw/zinc/57/40/06/382574006.db2.gz KNATUEVIAHUUKU-IXDOHACOSA-N 2 0 292.398 2.667 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000189254027 382574483 /nfs/dbraw/zinc/57/44/83/382574483.db2.gz UZIXYGADOCNOHJ-RKVQBDSKSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000382899823 382537739 /nfs/dbraw/zinc/53/77/39/382537739.db2.gz SHHSIGHQVOKVRL-GOEBONIOSA-N 2 0 260.425 2.894 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000386411022 382587387 /nfs/dbraw/zinc/58/73/87/382587387.db2.gz IMGYIEQDGWPKGS-XJKSGUPXSA-N 2 0 271.408 2.831 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCC1 ZINC000367811842 382588149 /nfs/dbraw/zinc/58/81/49/382588149.db2.gz BIGSOQSFBDPIKI-RHSMWYFYSA-N 2 0 278.440 2.504 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000346971301 382592812 /nfs/dbraw/zinc/59/28/12/382592812.db2.gz GTCNNGLLODNRKQ-QKPAOTATSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc2c1OCCO2 ZINC000387379481 382598019 /nfs/dbraw/zinc/59/80/19/382598019.db2.gz YEQYPNVQMSSGLF-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](COCC)C(C)C)CC1 ZINC000189356532 382598483 /nfs/dbraw/zinc/59/84/83/382598483.db2.gz KAZUPKIZGHOAPC-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+]C1CCC(O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353673697 382601964 /nfs/dbraw/zinc/60/19/64/382601964.db2.gz RXDSGRDKNILMLF-JFBXJRRNSA-N 2 0 280.456 2.533 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)[C@@H](C)C1 ZINC000358406090 382602814 /nfs/dbraw/zinc/60/28/14/382602814.db2.gz SBMOISKDXVJFDH-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000397404094 382633439 /nfs/dbraw/zinc/63/34/39/382633439.db2.gz SGVNZWUEMMJCMJ-VOAKCMCISA-N 2 0 260.372 2.727 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000388345056 382606273 /nfs/dbraw/zinc/60/62/73/382606273.db2.gz LOSYAYQYTOFCRZ-UGQVUOCMSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccsc1Br ZINC000388548706 382607627 /nfs/dbraw/zinc/60/76/27/382607627.db2.gz LBSNDZRQUQWVBI-MRVPVSSYSA-N 2 0 277.231 2.728 20 0 CFADRP Cc1nocc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295291527 382608936 /nfs/dbraw/zinc/60/89/36/382608936.db2.gz JEMLJYLIVZOOSQ-QGZVFWFLSA-N 2 0 299.418 2.937 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c[nH]nc3c2)C[C@@H]1C ZINC000353735290 382620849 /nfs/dbraw/zinc/62/08/49/382620849.db2.gz DETOISMHABSTHY-XJKSGUPXSA-N 2 0 286.423 2.868 20 0 CFADRP CC(C)OC1CC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000189535281 382621289 /nfs/dbraw/zinc/62/12/89/382621289.db2.gz BONDQSHGAUTGRL-NRXISQOPSA-N 2 0 270.461 2.898 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393597970 382624193 /nfs/dbraw/zinc/62/41/93/382624193.db2.gz KRRQMDZLCIKOBT-GLQYFDAESA-N 2 0 262.397 2.518 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367603030 382577991 /nfs/dbraw/zinc/57/79/91/382577991.db2.gz XSOJIPZKRRMVAD-RCCFBDPRSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353623635 382583326 /nfs/dbraw/zinc/58/33/26/382583326.db2.gz OQGYQBPVFCGFSG-UWVGGRQHSA-N 2 0 275.318 2.978 20 0 CFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386133959 382583386 /nfs/dbraw/zinc/58/33/86/382583386.db2.gz PIJITUPLFMJIKS-ARFHVFGLSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@@H]([NH2+]CCOCC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189933642 382645884 /nfs/dbraw/zinc/64/58/84/382645884.db2.gz FJNMTXYMIINJOE-OLZOCXBDSA-N 2 0 290.398 2.511 20 0 CFADRP Cc1c([C@H](C)[NH2+]C2CCN(C)CC2)cnn1C(C)(C)C ZINC000191130734 382692239 /nfs/dbraw/zinc/69/22/39/382692239.db2.gz GJFNXAANLYGUNB-LBPRGKRZSA-N 2 0 278.444 2.691 20 0 CFADRP Cc1c[nH+]ccc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000191978382 382703943 /nfs/dbraw/zinc/70/39/43/382703943.db2.gz WXQPUTOZUAZTSI-UHFFFAOYSA-N 2 0 267.376 2.860 20 0 CFADRP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(n2ccnc2)CC1 ZINC000192061819 382704549 /nfs/dbraw/zinc/70/45/49/382704549.db2.gz FDORAWMKDHFRCT-AWEZNQCLSA-N 2 0 293.411 2.640 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000192513821 382709676 /nfs/dbraw/zinc/70/96/76/382709676.db2.gz BLCMJTHHMNQTOV-STQMWFEESA-N 2 0 273.380 2.510 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193140825 382716249 /nfs/dbraw/zinc/71/62/49/382716249.db2.gz KFKWNHJMFDGFGH-RRFJBIMHSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000336827354 382724460 /nfs/dbraw/zinc/72/44/60/382724460.db2.gz CHGGZMSLKAAMAW-HOTGVXAUSA-N 2 0 280.456 2.608 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C1 ZINC000575051847 382724914 /nfs/dbraw/zinc/72/49/14/382724914.db2.gz NSZMSCZTDCYSHC-PMPSAXMXSA-N 2 0 273.424 2.743 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1CN1CCCCC1)C1CCOCC1 ZINC000336833622 382727329 /nfs/dbraw/zinc/72/73/29/382727329.db2.gz OWESCTMKDMRGLD-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP O[C@H](C[NH2+][C@H]1CCCCC12CCCC2)C[NH+]1CCCC1 ZINC000336834420 382728136 /nfs/dbraw/zinc/72/81/36/382728136.db2.gz RGLOMDWGKUEXHA-CVEARBPZSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000575151468 382729237 /nfs/dbraw/zinc/72/92/37/382729237.db2.gz JOEJSYMNPKAISX-CVEARBPZSA-N 2 0 281.488 2.939 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000336837961 382730136 /nfs/dbraw/zinc/73/01/36/382730136.db2.gz MHIHYJHEBWGFSF-GJZGRUSLSA-N 2 0 279.428 2.524 20 0 CFADRP COc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)ccc1C ZINC000194001639 382732123 /nfs/dbraw/zinc/73/21/23/382732123.db2.gz ODKOZNFRFNOMMJ-ZBFHGGJFSA-N 2 0 276.424 2.918 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000575248581 382734303 /nfs/dbraw/zinc/73/43/03/382734303.db2.gz LYYUUGZHDQORJT-DOTOQJQBSA-N 2 0 292.467 2.546 20 0 CFADRP C[C@H]1C[N@H+](CCCC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000337173115 382771590 /nfs/dbraw/zinc/77/15/90/382771590.db2.gz GCGXGLGOYITODX-DLBZAZTESA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccn1 ZINC000216004551 382781391 /nfs/dbraw/zinc/78/13/91/382781391.db2.gz DTRTVOHIEZLKQQ-LSDHHAIUSA-N 2 0 261.413 2.997 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000337254010 382786906 /nfs/dbraw/zinc/78/69/06/382786906.db2.gz QDSIOMNUCFMRGA-AWEZNQCLSA-N 2 0 270.486 2.936 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194323927 382740471 /nfs/dbraw/zinc/74/04/71/382740471.db2.gz RUUUHNOLLGFUFQ-INIZCTEOSA-N 2 0 290.451 2.881 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1csc(Cl)c1 ZINC000219311627 382793189 /nfs/dbraw/zinc/79/31/89/382793189.db2.gz NBLBZGBVBJFZJV-JTQLQIEISA-N 2 0 276.833 2.630 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000219309946 382793253 /nfs/dbraw/zinc/79/32/53/382793253.db2.gz CQXUKCPRVFJFCC-HNNXBMFYSA-N 2 0 284.831 2.959 20 0 CFADRP Fc1ccc2oc(C[NH2+]CCCN3CCC3)cc2c1 ZINC000577124154 382848889 /nfs/dbraw/zinc/84/88/89/382848889.db2.gz ICJADZLWQLMTNZ-UHFFFAOYSA-N 2 0 262.328 2.757 20 0 CFADRP Cc1cc(Cl)ccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000577146405 382849236 /nfs/dbraw/zinc/84/92/36/382849236.db2.gz AJUDQBYFVASBRW-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2cncn2C)Cc2ccccc2O1 ZINC000575811672 382799923 /nfs/dbraw/zinc/79/99/23/382799923.db2.gz BZZMQZAYDQXLSY-CQSZACIVSA-N 2 0 285.391 2.636 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000221977033 382800305 /nfs/dbraw/zinc/80/03/05/382800305.db2.gz SSHOXYNQNMYZGE-KMFMINBZSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000575860141 382801961 /nfs/dbraw/zinc/80/19/61/382801961.db2.gz POIPSZHRGNICAI-UPBMQRFZSA-N 2 0 260.381 2.677 20 0 CFADRP COc1ccc(CN2CCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000575868280 382802152 /nfs/dbraw/zinc/80/21/52/382802152.db2.gz ZZCPXFXHNBAIOB-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP CC(C)C[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337334154 382803801 /nfs/dbraw/zinc/80/38/01/382803801.db2.gz KDVUDZVJVUYGOX-SFHVURJKSA-N 2 0 295.515 2.913 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222957974 382803810 /nfs/dbraw/zinc/80/38/10/382803810.db2.gz VOVYUJCWDGHVRY-YUELXQCFSA-N 2 0 262.397 2.573 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229059596 382850155 /nfs/dbraw/zinc/85/01/55/382850155.db2.gz IADHGNVNFQOKAA-BZPMIXESSA-N 2 0 250.361 2.803 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000337347619 382807490 /nfs/dbraw/zinc/80/74/90/382807490.db2.gz XSYIMHKXZKZCLH-HNNXBMFYSA-N 2 0 294.439 2.530 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2cccnc12 ZINC000576160125 382812403 /nfs/dbraw/zinc/81/24/03/382812403.db2.gz WYOYBBKKGNQDNO-OLZOCXBDSA-N 2 0 257.381 2.759 20 0 CFADRP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H]1CCCC[NH+]1C(C)C ZINC000576152076 382812461 /nfs/dbraw/zinc/81/24/61/382812461.db2.gz BHXPXBPUZQGBOD-IRXDYDNUSA-N 2 0 281.488 2.521 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CCc2cccc(C)n2)C1 ZINC000576222580 382815044 /nfs/dbraw/zinc/81/50/44/382815044.db2.gz AMADSXJOLLZAFO-INIZCTEOSA-N 2 0 275.440 2.596 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)oc1C ZINC000337403944 382815892 /nfs/dbraw/zinc/81/58/92/382815892.db2.gz KZKLDCKVCGCOMD-LSDHHAIUSA-N 2 0 293.455 2.573 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000337428903 382819389 /nfs/dbraw/zinc/81/93/89/382819389.db2.gz UDTQNAPFQGHGDB-SQNIBIBYSA-N 2 0 295.515 2.769 20 0 CFADRP c1cc(N2CCC([NH2+]CC3CCSCC3)CC2)cc[nH+]1 ZINC000229221436 382851119 /nfs/dbraw/zinc/85/11/19/382851119.db2.gz YYFNZPYJQALXDY-UHFFFAOYSA-N 2 0 291.464 2.783 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Cc1cccs1 ZINC000577231993 382852830 /nfs/dbraw/zinc/85/28/30/382852830.db2.gz TZTOGCWZPURVDB-RWMBFGLXSA-N 2 0 252.427 2.786 20 0 CFADRP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc4cccnc4o3)C2)n1 ZINC000576546945 382826537 /nfs/dbraw/zinc/82/65/37/382826537.db2.gz ACMZUCDLJOYKHQ-CYBMUJFWSA-N 2 0 282.347 2.931 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(O)c1 ZINC000226345424 382827129 /nfs/dbraw/zinc/82/71/29/382827129.db2.gz AQLRTURTEQQSLW-ZDUSSCGKSA-N 2 0 262.397 2.775 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435008 382828459 /nfs/dbraw/zinc/82/84/59/382828459.db2.gz XIKRARFYFLJWEU-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000337489139 382830452 /nfs/dbraw/zinc/83/04/52/382830452.db2.gz VBADRMJAOWRMFZ-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000337511132 382834483 /nfs/dbraw/zinc/83/44/83/382834483.db2.gz RLGSCTSVQIMZME-AWEZNQCLSA-N 2 0 276.424 2.641 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000337517608 382835565 /nfs/dbraw/zinc/83/55/65/382835565.db2.gz MUYGUWXHUIOLNC-AWEZNQCLSA-N 2 0 278.444 2.991 20 0 CFADRP COc1ccc(OC)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227329947 382835632 /nfs/dbraw/zinc/83/56/32/382835632.db2.gz FBRXPZHHVROBLN-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1ccsc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227329404 382835827 /nfs/dbraw/zinc/83/58/27/382835827.db2.gz CIKRGNWWYCMFNU-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1F ZINC000227328267 382835928 /nfs/dbraw/zinc/83/59/28/382835928.db2.gz CCWPRZIJQDMQJI-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000337538677 382838937 /nfs/dbraw/zinc/83/89/37/382838937.db2.gz ZTHIDXCPKZWBEK-CQSZACIVSA-N 2 0 290.455 2.991 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000227673624 382839279 /nfs/dbraw/zinc/83/92/79/382839279.db2.gz QARFPWCRCKKUEB-YOEHRIQHSA-N 2 0 276.424 2.558 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@@H](C)C1 ZINC000576959131 382842878 /nfs/dbraw/zinc/84/28/78/382842878.db2.gz WOXUGOVKLULKJC-LSDHHAIUSA-N 2 0 284.488 2.884 20 0 CFADRP OCC1([NH2+]CC2CC2)CC[NH+](CCCC2CCCC2)CC1 ZINC000578240517 382904736 /nfs/dbraw/zinc/90/47/36/382904736.db2.gz WDCVJMLIVAVWAA-UHFFFAOYSA-N 2 0 294.483 2.783 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422946906 532961508 /nfs/dbraw/zinc/96/15/08/532961508.db2.gz PRSCPCFEAOAMFE-CHWSQXEVSA-N 2 0 294.464 2.621 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000493943489 382908065 /nfs/dbraw/zinc/90/80/65/382908065.db2.gz DHTZCLGDXSHUCI-WMLDXEAASA-N 2 0 276.424 2.694 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000577243537 382852953 /nfs/dbraw/zinc/85/29/53/382852953.db2.gz KFGNBYKFZPRRRA-ULQDDVLXSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc(C)c1O ZINC000229936454 382854437 /nfs/dbraw/zinc/85/44/37/382854437.db2.gz FUEALZZYFVUYGG-UHFFFAOYSA-N 2 0 276.424 2.831 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc4ccccc4s3)C[C@@H]21 ZINC000230049894 382855425 /nfs/dbraw/zinc/85/54/25/382855425.db2.gz LSMYTUIVAXFFNI-RWMBFGLXSA-N 2 0 287.432 2.856 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000577423357 382858567 /nfs/dbraw/zinc/85/85/67/382858567.db2.gz HLLWDIPIFZQWFJ-AWEZNQCLSA-N 2 0 296.430 2.896 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000230654086 382861547 /nfs/dbraw/zinc/86/15/47/382861547.db2.gz HDGZGEORQZFLOY-DGXTUMSLSA-N 2 0 250.430 2.933 20 0 CFADRP CCCCC[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000577521578 382862230 /nfs/dbraw/zinc/86/22/30/382862230.db2.gz JHGQYIHSLSKKHE-LBPRGKRZSA-N 2 0 280.416 2.808 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000577752588 382869891 /nfs/dbraw/zinc/86/98/91/382869891.db2.gz FBZOXASIVUDAFV-FGTMMUONSA-N 2 0 288.435 2.830 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000577866062 382873799 /nfs/dbraw/zinc/87/37/99/382873799.db2.gz XEICDTWYTAXWLL-AAVRWANBSA-N 2 0 262.372 2.931 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC23CC3)C[C@H](C)O1 ZINC000577888113 382874458 /nfs/dbraw/zinc/87/44/58/382874458.db2.gz HSWXGFHFAMAEGO-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000234693483 382874893 /nfs/dbraw/zinc/87/48/93/382874893.db2.gz PWEQTASTMMRPQI-GJZGRUSLSA-N 2 0 262.397 2.784 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000234751216 382874926 /nfs/dbraw/zinc/87/49/26/382874926.db2.gz UBTCKPAULNEFSS-GDBMZVCRSA-N 2 0 294.439 2.878 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000533069794 382879553 /nfs/dbraw/zinc/87/95/53/382879553.db2.gz BKDNRSAOVCVVAV-UHFFFAOYSA-N 2 0 286.423 2.773 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000235412201 382881292 /nfs/dbraw/zinc/88/12/92/382881292.db2.gz ANUGLXUUZIPIEO-CABCVRRESA-N 2 0 258.409 2.823 20 0 CFADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCC[NH3+])c2C1 ZINC000236717905 382911189 /nfs/dbraw/zinc/91/11/89/382911189.db2.gz HIMIMZVQHHJGMN-UHFFFAOYSA-N 2 0 289.423 2.726 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000337997083 382895075 /nfs/dbraw/zinc/89/50/75/382895075.db2.gz JUSYXTJWJUSYOG-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP COC1([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CCCC1 ZINC000421831106 382937022 /nfs/dbraw/zinc/93/70/22/382937022.db2.gz CTBDDHLZYFBZIK-AWEZNQCLSA-N 2 0 268.445 2.797 20 0 CFADRP c1ccc(SCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000578627218 382937777 /nfs/dbraw/zinc/93/77/77/382937777.db2.gz QKFYVLJRURGJOR-INIZCTEOSA-N 2 0 276.449 2.854 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)nc21 ZINC000578637763 382938876 /nfs/dbraw/zinc/93/88/76/382938876.db2.gz DPKPIFFAADTUSR-JSGCOSHPSA-N 2 0 287.407 2.656 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422715366 532964072 /nfs/dbraw/zinc/96/40/72/532964072.db2.gz JEUFVFWOSRBVNY-CABCVRRESA-N 2 0 299.418 2.876 20 0 CFADRP Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000237037155 382945926 /nfs/dbraw/zinc/94/59/26/382945926.db2.gz ZBXPPQUETKMFOR-UKRRQHHQSA-N 2 0 289.423 2.513 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000237030176 382945973 /nfs/dbraw/zinc/94/59/73/382945973.db2.gz QXUXGLIFFWWZCD-UHFFFAOYSA-N 2 0 289.423 2.514 20 0 CFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000338189319 382947050 /nfs/dbraw/zinc/94/70/50/382947050.db2.gz GCJAETPGIBMMPM-RCBBPTIPSA-N 2 0 296.842 2.646 20 0 CFADRP COC1([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)CCCC1 ZINC000421852579 382947614 /nfs/dbraw/zinc/94/76/14/382947614.db2.gz HLTPBGVYUKJWSI-CYBMUJFWSA-N 2 0 273.380 2.772 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494976712 382949229 /nfs/dbraw/zinc/94/92/29/382949229.db2.gz GGRFFIVYLMWMFD-HNNXBMFYSA-N 2 0 270.486 2.793 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc2)n1 ZINC000442761451 382951786 /nfs/dbraw/zinc/95/17/86/382951786.db2.gz CAVAIOORJICBLM-YOEHRIQHSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)[C@H]1C ZINC000495031416 382953865 /nfs/dbraw/zinc/95/38/65/382953865.db2.gz ROUOVYNISODLKO-IJEWVQPXSA-N 2 0 291.439 2.546 20 0 CFADRP Cn1cncc1CCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000578783601 382954567 /nfs/dbraw/zinc/95/45/67/382954567.db2.gz BQYIQUBQXWCOKL-KRWDZBQOSA-N 2 0 269.392 2.972 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000495049237 382955234 /nfs/dbraw/zinc/95/52/34/382955234.db2.gz RDAJDHOAJHXDNF-ZOFXXKQRSA-N 2 0 282.472 2.758 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@H]1Oc1ccccc1 ZINC000578497234 382926111 /nfs/dbraw/zinc/92/61/11/382926111.db2.gz HSBPQYZKMJUHSN-IAGOWNOFSA-N 2 0 288.435 2.822 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccncn2)C1 ZINC000578497962 382926439 /nfs/dbraw/zinc/92/64/39/382926439.db2.gz PRZSAKLJVREABE-QGPMSJSTSA-N 2 0 296.418 2.673 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881389 382963134 /nfs/dbraw/zinc/96/31/34/382963134.db2.gz ZHJZEHLYBZECKE-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCC[NH3+])cc1 ZINC000237518996 382963189 /nfs/dbraw/zinc/96/31/89/382963189.db2.gz NHCCODBOHQQLFG-AWEZNQCLSA-N 2 0 289.423 2.738 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000534579412 382934179 /nfs/dbraw/zinc/93/41/79/382934179.db2.gz OWXXRQGRKKUHPX-INIZCTEOSA-N 2 0 299.418 2.851 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccncc1Cl ZINC000421822704 382934209 /nfs/dbraw/zinc/93/42/09/382934209.db2.gz BCWMGBXKBWYLSV-LLVKDONJSA-N 2 0 255.793 2.727 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442918600 382963619 /nfs/dbraw/zinc/96/36/19/382963619.db2.gz DARYRRRNPHGWHE-HOCLYGCPSA-N 2 0 268.445 2.500 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C(C)C)C1CCOCC1 ZINC000338276205 382972207 /nfs/dbraw/zinc/97/22/07/382972207.db2.gz BEOPYVSBIHERBI-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)n1 ZINC000423021706 383016374 /nfs/dbraw/zinc/01/63/74/383016374.db2.gz GDZNAWOUMPAXSV-GOEBONIOSA-N 2 0 278.444 2.599 20 0 CFADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000422699609 382974492 /nfs/dbraw/zinc/97/44/92/382974492.db2.gz ASKVBRATYKNDPC-ZWKOTPCHSA-N 2 0 285.435 2.595 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957698 532967015 /nfs/dbraw/zinc/96/70/15/532967015.db2.gz UXZCLDWVUUOWDZ-KGLIPLIRSA-N 2 0 293.480 2.773 20 0 CFADRP CCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422735848 382976519 /nfs/dbraw/zinc/97/65/19/382976519.db2.gz WUTPXIUMODVSAK-GOEBONIOSA-N 2 0 260.381 2.632 20 0 CFADRP CC(C)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732557 382976735 /nfs/dbraw/zinc/97/67/35/382976735.db2.gz PBLLDUDZWJYFPX-NVXWUHKLSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422751177 382977463 /nfs/dbraw/zinc/97/74/63/382977463.db2.gz FJMZKLMEODPMJL-JKSUJKDBSA-N 2 0 281.488 2.891 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000423022085 383016587 /nfs/dbraw/zinc/01/65/87/383016587.db2.gz HCFKRKXRFQMXOQ-BFHYXJOUSA-N 2 0 294.439 2.598 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000422769166 382978327 /nfs/dbraw/zinc/97/83/27/382978327.db2.gz USOPKNSLXUZVAI-AEFFLSMTSA-N 2 0 299.418 2.515 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C12CCC2 ZINC000422787225 382979339 /nfs/dbraw/zinc/97/93/39/382979339.db2.gz UDMXRDRGUDYVAQ-ZQDZILKHSA-N 2 0 266.429 2.584 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422778770 382979659 /nfs/dbraw/zinc/97/96/59/382979659.db2.gz DZJDWGPWKBHEEZ-VHDGCEQUSA-N 2 0 282.815 2.745 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422810760 382981358 /nfs/dbraw/zinc/98/13/58/382981358.db2.gz SJYDCUJRMYKSIT-WMZOPIPTSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422838459 382982341 /nfs/dbraw/zinc/98/23/41/382982341.db2.gz OLKBJZZWNSRUSL-OVWQWFNUSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000422914374 532967236 /nfs/dbraw/zinc/96/72/36/532967236.db2.gz TXAAVLXUKZJIER-OLZOCXBDSA-N 2 0 262.397 2.833 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841485 382984363 /nfs/dbraw/zinc/98/43/63/382984363.db2.gz VZYRRGXVYQOBPO-FPQWYMTMSA-N 3 0 295.515 2.994 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878033 382985552 /nfs/dbraw/zinc/98/55/52/382985552.db2.gz IRTDOWJXQWZOCL-GVDBMIGSSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422880736 382985883 /nfs/dbraw/zinc/98/58/83/382985883.db2.gz MOUYZHNWAMKVJW-OQSMONGASA-N 3 0 295.515 2.852 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422903072 382987645 /nfs/dbraw/zinc/98/76/45/382987645.db2.gz NZALGYODMTWPJX-DRRXZNNHSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422921398 382988462 /nfs/dbraw/zinc/98/84/62/382988462.db2.gz OBYBJTCGLVTPSA-INMHGKMJSA-N 2 0 260.425 2.965 20 0 CFADRP Cc1cccc(NCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000422919347 382988657 /nfs/dbraw/zinc/98/86/57/382988657.db2.gz JQCGGSGOTUPIAV-CVEARBPZSA-N 2 0 290.455 2.702 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422973007 382991631 /nfs/dbraw/zinc/99/16/31/382991631.db2.gz NMVJLFNDHLLMTI-ZJPYXAASSA-N 3 0 293.499 2.619 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422979106 382993677 /nfs/dbraw/zinc/99/36/77/382993677.db2.gz LHLBPIYLUOZAAQ-ZIAGYGMSSA-N 2 0 256.434 2.567 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Nc1ccccc1 ZINC000422979150 382993773 /nfs/dbraw/zinc/99/37/73/382993773.db2.gz LMCCAUNIAZGVSR-XIRDDKMYSA-N 2 0 275.440 2.840 20 0 CFADRP C[C@@H]1CC[C@H](C)[NH+](CC(O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000447302601 382994801 /nfs/dbraw/zinc/99/48/01/382994801.db2.gz FMXVHBPPULMCIF-WCVJEAGWSA-N 2 0 282.472 2.588 20 0 CFADRP CCC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CCC ZINC000447127917 382995089 /nfs/dbraw/zinc/99/50/89/382995089.db2.gz KKHHDIMGTIMKKA-FICVDOATSA-N 2 0 258.450 2.588 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000549040648 382997754 /nfs/dbraw/zinc/99/77/54/382997754.db2.gz LSWZAMIAMNZPCW-UAGQMJEPSA-N 2 0 288.435 2.905 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422985862 382998260 /nfs/dbraw/zinc/99/82/60/382998260.db2.gz AQMBPCRSZLBYJM-WBVHZDCISA-N 2 0 276.424 2.735 20 0 CFADRP COc1cccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000422989986 382998547 /nfs/dbraw/zinc/99/85/47/382998547.db2.gz BIGIRHFSQUHBPQ-GDBMZVCRSA-N 2 0 291.439 2.533 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000422993059 383000432 /nfs/dbraw/zinc/00/04/32/383000432.db2.gz SFLOKGPGPKCPTB-IHXXTUNLSA-N 2 0 270.420 2.693 20 0 CFADRP CCC(CC)[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000422996550 383001145 /nfs/dbraw/zinc/00/11/45/383001145.db2.gz MLUFURJNBCLUGP-QXULXFAOSA-N 2 0 268.445 2.700 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422994385 383001492 /nfs/dbraw/zinc/00/14/92/383001492.db2.gz VHRJQHBHRGMHNS-IREHDKGXSA-N 2 0 270.420 2.679 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCC(C(C)C)CC1 ZINC000422994590 383001616 /nfs/dbraw/zinc/00/16/16/383001616.db2.gz VUCWLVYKLWUUOC-GPANFISMSA-N 2 0 270.461 2.792 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000422996281 383001715 /nfs/dbraw/zinc/00/17/15/383001715.db2.gz SOCSNLLBGZKHIR-JDFRZJQESA-N 2 0 291.439 2.703 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422999427 383002477 /nfs/dbraw/zinc/00/24/77/383002477.db2.gz DYRRYPAURFFUDT-HOCLYGCPSA-N 2 0 296.842 2.964 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422999154 383003321 /nfs/dbraw/zinc/00/33/21/383003321.db2.gz RZGCMOBELRJZHM-IRXDYDNUSA-N 2 0 276.424 2.877 20 0 CFADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422998574 383003367 /nfs/dbraw/zinc/00/33/67/383003367.db2.gz QTASGFPMMOOYOX-QILLFSRXSA-N 2 0 288.435 2.883 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422999471 383004420 /nfs/dbraw/zinc/00/44/20/383004420.db2.gz FFYWSQJGKCQGHL-HZMVEIRTSA-N 2 0 296.499 2.930 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000423001919 383004680 /nfs/dbraw/zinc/00/46/80/383004680.db2.gz FHYHGPUYKJEFHZ-HOTGVXAUSA-N 2 0 269.477 2.745 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422999474 383004713 /nfs/dbraw/zinc/00/47/13/383004713.db2.gz FFYWSQJGKCQGHL-VQHPVUNQSA-N 2 0 296.499 2.930 20 0 CFADRP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423005568 383007495 /nfs/dbraw/zinc/00/74/95/383007495.db2.gz SFQYZDAMOWEUHX-BZUAXINKSA-N 2 0 284.488 2.930 20 0 CFADRP Cc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)nc(C2CC2)n1 ZINC000447807563 383009455 /nfs/dbraw/zinc/00/94/55/383009455.db2.gz QYBJFWXEIXRORN-AWEZNQCLSA-N 2 0 288.439 2.617 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423012658 383009745 /nfs/dbraw/zinc/00/97/45/383009745.db2.gz DKPYWBZMXZHRKT-BQDHKBFISA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423012225 383009779 /nfs/dbraw/zinc/00/97/79/383009779.db2.gz CNHRNGDIMKIFHH-CJNGLKHVSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423012224 383010248 /nfs/dbraw/zinc/01/02/48/383010248.db2.gz CNHRNGDIMKIFHH-BBRMVZONSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013353 383011374 /nfs/dbraw/zinc/01/13/74/383011374.db2.gz MRLJZZOGRPXEIB-QWRGUYRKSA-N 2 0 268.351 2.712 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423015055 383012385 /nfs/dbraw/zinc/01/23/85/383012385.db2.gz QIOALUJKUWRJJD-CABCVRRESA-N 2 0 286.423 2.709 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423016742 383012772 /nfs/dbraw/zinc/01/27/72/383012772.db2.gz UMNTWWJENVRIKU-KGLIPLIRSA-N 2 0 264.413 2.591 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423017414 383013902 /nfs/dbraw/zinc/01/39/02/383013902.db2.gz WJAFEXHCIAEZDG-AWEZNQCLSA-N 2 0 286.423 2.694 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423017295 383013990 /nfs/dbraw/zinc/01/39/90/383013990.db2.gz OIUHFMNBXVMKFE-VQHPVUNQSA-N 2 0 294.483 2.684 20 0 CFADRP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(F)c1 ZINC000423017075 383014328 /nfs/dbraw/zinc/01/43/28/383014328.db2.gz VJXBPMOMHRMFJX-PBWFPOADSA-N 2 0 292.373 2.869 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423019792 383015608 /nfs/dbraw/zinc/01/56/08/383015608.db2.gz XEYKDOJNDJDBOS-CHWSQXEVSA-N 2 0 252.427 2.849 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423046138 383028532 /nfs/dbraw/zinc/02/85/32/383028532.db2.gz DHDWLUNDNCIOKG-GFCCVEGCSA-N 2 0 277.387 2.577 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000579580470 383030699 /nfs/dbraw/zinc/03/06/99/383030699.db2.gz KBCBQUVTFGWYHO-ZDUSSCGKSA-N 2 0 262.397 2.654 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000579580469 383030794 /nfs/dbraw/zinc/03/07/94/383030794.db2.gz KBCBQUVTFGWYHO-CYBMUJFWSA-N 2 0 262.397 2.654 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C(C)C)c1 ZINC000423052063 383031609 /nfs/dbraw/zinc/03/16/09/383031609.db2.gz PALWDCGINHCLIH-INIZCTEOSA-N 2 0 264.413 2.654 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423050745 383032002 /nfs/dbraw/zinc/03/20/02/383032002.db2.gz ZHRDZBLCIQJPSY-BXUZGUMPSA-N 2 0 286.341 2.754 20 0 CFADRP C[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000423055046 383032827 /nfs/dbraw/zinc/03/28/27/383032827.db2.gz VMGHLFBEPASKBM-OCCSQVGLSA-N 2 0 282.378 2.875 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423055407 383032878 /nfs/dbraw/zinc/03/28/78/383032878.db2.gz WHUJIKDIXKTJFD-CBBWQLFWSA-N 2 0 268.445 2.556 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1=CCCCCC1 ZINC000423056888 383034442 /nfs/dbraw/zinc/03/44/42/383034442.db2.gz YYHFIDNUZMEUOJ-OAHLLOKOSA-N 2 0 254.418 2.611 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423060139 383035333 /nfs/dbraw/zinc/03/53/33/383035333.db2.gz NTFVGHQRGHYURG-CQDKDKBSSA-N 2 0 278.371 2.756 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(OC)c1 ZINC000423388204 383078399 /nfs/dbraw/zinc/07/83/99/383078399.db2.gz IHHNAHYACUDTMQ-UHOFOFEASA-N 2 0 262.397 2.734 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cn(C)c2c1 ZINC000423064771 383038171 /nfs/dbraw/zinc/03/81/71/383038171.db2.gz ZSENZKSWIRQGCN-WMLDXEAASA-N 2 0 285.435 2.759 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423064782 383038552 /nfs/dbraw/zinc/03/85/52/383038552.db2.gz AIRFCKCHSULZQF-OWCLPIDISA-N 2 0 282.472 2.828 20 0 CFADRP CCOC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000423067641 383039802 /nfs/dbraw/zinc/03/98/02/383039802.db2.gz HPONXYMJKGAXLC-BBRMVZONSA-N 2 0 279.428 2.560 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423067265 383039926 /nfs/dbraw/zinc/03/99/26/383039926.db2.gz GSBUNRTVTHTLAK-SMELUJQZSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093431 383040770 /nfs/dbraw/zinc/04/07/70/383040770.db2.gz HLIDEOJXYVFKNL-DOTOQJQBSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423096057 383041022 /nfs/dbraw/zinc/04/10/22/383041022.db2.gz NXDLUVVGAGMOEA-CGTJXYLNSA-N 2 0 293.499 2.904 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084470 383041261 /nfs/dbraw/zinc/04/12/61/383041261.db2.gz IARBTKCPPLIDEN-QZTJIDSGSA-N 3 0 285.435 2.595 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C ZINC000423092956 383041770 /nfs/dbraw/zinc/04/17/70/383041770.db2.gz FAGUBQKJIXWILE-NKXHUJMZSA-N 2 0 294.483 2.805 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423116613 383042489 /nfs/dbraw/zinc/04/24/89/383042489.db2.gz QPTUVYCFUBIHKO-KFNAQCHYSA-N 2 0 292.398 2.799 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423116186 383042579 /nfs/dbraw/zinc/04/25/79/383042579.db2.gz ZTWDTOAMTIGKCY-JWDQPFGJSA-N 2 0 272.392 2.630 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423116354 383042895 /nfs/dbraw/zinc/04/28/95/383042895.db2.gz PNISLLLUSHUBMZ-JKJDWNRSSA-N 2 0 268.445 2.700 20 0 CFADRP CC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423134133 383043892 /nfs/dbraw/zinc/04/38/92/383043892.db2.gz WRWLNLLLKJCIIS-KIDURHIOSA-N 2 0 264.335 2.838 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423130645 383044000 /nfs/dbraw/zinc/04/40/00/383044000.db2.gz MZWAIJYXDSRSIJ-NUEKZKHPSA-N 2 0 291.414 2.654 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423126997 383044161 /nfs/dbraw/zinc/04/41/61/383044161.db2.gz BNPHHHXLUIOLCR-ITWBUVANSA-N 2 0 288.435 2.522 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552246009 383078939 /nfs/dbraw/zinc/07/89/39/383078939.db2.gz FEUQZWCZATUECG-XIRDDKMYSA-N 2 0 280.456 2.512 20 0 CFADRP FCCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423142450 383044936 /nfs/dbraw/zinc/04/49/36/383044936.db2.gz VGKACXBLXYMTFY-GDBMZVCRSA-N 2 0 278.371 2.582 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000579710467 383045525 /nfs/dbraw/zinc/04/55/25/383045525.db2.gz IBPIZOLROTZNFC-CZUORRHYSA-N 2 0 289.423 2.909 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1(C)C ZINC000579711456 383045550 /nfs/dbraw/zinc/04/55/50/383045550.db2.gz DQGBVVGEQDMILW-BFYDXBDKSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423207697 383050668 /nfs/dbraw/zinc/05/06/68/383050668.db2.gz YETLLDSEZZAKHP-CQSZACIVSA-N 2 0 297.240 2.506 20 0 CFADRP C[NH2+]CCN[C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423223614 383052011 /nfs/dbraw/zinc/05/20/11/383052011.db2.gz GXUADZYDVVKAGS-JOYOIKCWSA-N 2 0 283.213 2.806 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423257476 383052779 /nfs/dbraw/zinc/05/27/79/383052779.db2.gz JODOXQSKJLUMTO-CHWSQXEVSA-N 2 0 279.453 2.808 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000423288936 383056968 /nfs/dbraw/zinc/05/69/68/383056968.db2.gz ABQWVRTYKDPHAU-STQMWFEESA-N 2 0 255.365 2.952 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000423297021 383057147 /nfs/dbraw/zinc/05/71/47/383057147.db2.gz IKOBWWIYTQQIBY-IUODEOHRSA-N 2 0 280.387 2.929 20 0 CFADRP FC(F)(F)C1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423341040 383059149 /nfs/dbraw/zinc/05/91/49/383059149.db2.gz JUPWQHMJYLVEIC-UHFFFAOYSA-N 2 0 262.319 2.617 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423351262 383060032 /nfs/dbraw/zinc/06/00/32/383060032.db2.gz HSBDWQZRBNJBQT-JQFCIGGWSA-N 2 0 256.393 2.688 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(C(=O)OC)cc1 ZINC000423361720 383063753 /nfs/dbraw/zinc/06/37/53/383063753.db2.gz AOHUKELHGJHMTO-KCXAZCMYSA-N 2 0 290.407 2.512 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423363038 383065195 /nfs/dbraw/zinc/06/51/95/383065195.db2.gz UMDJLBBAVSHWFW-PAYONLEZSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cncc(F)c1 ZINC000423367522 383065696 /nfs/dbraw/zinc/06/56/96/383065696.db2.gz CQFQWAWEBQBHNC-NSHDSACASA-N 2 0 271.339 2.675 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367456 383066339 /nfs/dbraw/zinc/06/63/39/383066339.db2.gz CLUXEFOAPZSGLR-LBPRGKRZSA-N 2 0 256.349 2.604 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423369495 383067335 /nfs/dbraw/zinc/06/73/35/383067335.db2.gz DXKDGDKANZQLRZ-MELADBBJSA-N 2 0 292.423 2.933 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCCO2 ZINC000423369110 383067894 /nfs/dbraw/zinc/06/78/94/383067894.db2.gz SJEFNWGODHGOQD-UKRRQHHQSA-N 2 0 290.407 2.641 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000423371789 383069001 /nfs/dbraw/zinc/06/90/01/383069001.db2.gz FTDZDIMOXYWQQN-RCBQFDQVSA-N 2 0 290.407 2.654 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC[NH2+]1 ZINC000423374435 383069899 /nfs/dbraw/zinc/06/98/99/383069899.db2.gz JYMINEMYESCYKN-XFJVYGCCSA-N 2 0 262.372 2.933 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)[C@H](C)C1 ZINC000246550423 383080584 /nfs/dbraw/zinc/08/05/84/383080584.db2.gz WNMJAKPSSADVFB-QXSJWSMHSA-N 2 0 282.472 2.900 20 0 CFADRP [NH3+]C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000423387121 383077110 /nfs/dbraw/zinc/07/71/10/383077110.db2.gz HNLBXTWVZYBGBD-SWDXFRIISA-N 2 0 295.430 2.712 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423030816 383019748 /nfs/dbraw/zinc/01/97/48/383019748.db2.gz WKUJGXYATNJLIV-NEPJUHHUSA-N 2 0 299.821 2.775 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000423030865 383020055 /nfs/dbraw/zinc/02/00/55/383020055.db2.gz KATKUGDORZFFSC-RWMBFGLXSA-N 2 0 258.475 2.742 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423029708 383020058 /nfs/dbraw/zinc/02/00/58/383020058.db2.gz VCPKMPFYHXAPIM-ZIAGYGMSSA-N 2 0 282.790 2.980 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000423032217 383021090 /nfs/dbraw/zinc/02/10/90/383021090.db2.gz FBVOHAZWXFVNLS-MNOVXSKESA-N 2 0 255.431 2.662 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423032424 383021179 /nfs/dbraw/zinc/02/11/79/383021179.db2.gz MRGHXKZGYQMNEC-WMLDXEAASA-N 2 0 288.435 2.847 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000423031227 383021250 /nfs/dbraw/zinc/02/12/50/383021250.db2.gz KTRWAEGTAROBSK-UKRRQHHQSA-N 2 0 279.403 2.748 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1F ZINC000423031082 383021350 /nfs/dbraw/zinc/02/13/50/383021350.db2.gz WNXKWEQYTZLJFT-OBJOEFQTSA-N 2 0 280.387 2.873 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000423387214 383077603 /nfs/dbraw/zinc/07/76/03/383077603.db2.gz JUVYFTZTHSWUFW-OAHLLOKOSA-N 2 0 276.424 2.662 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423387439 383077610 /nfs/dbraw/zinc/07/76/10/383077610.db2.gz MUIWTJYGBKGVPE-RHSMWYFYSA-N 2 0 274.408 2.585 20 0 CFADRP C[C@H](CCN[C@@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000423037675 383023598 /nfs/dbraw/zinc/02/35/98/383023598.db2.gz WOLLEHXIRGEIEG-BZUAXINKSA-N 2 0 267.461 2.501 20 0 CFADRP CC1=CC[N@H+](CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423038817 383025274 /nfs/dbraw/zinc/02/52/74/383025274.db2.gz PEWOUIRPRSRGHM-IAGOWNOFSA-N 2 0 279.472 2.539 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000423039917 383025319 /nfs/dbraw/zinc/02/53/19/383025319.db2.gz RYZZCFJEUNUUOD-SZMVWBNQSA-N 2 0 290.451 2.884 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423386610 383077791 /nfs/dbraw/zinc/07/77/91/383077791.db2.gz MAHXRLRKMSVLOA-ILXRZTDVSA-N 2 0 290.407 2.768 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423042606 383026564 /nfs/dbraw/zinc/02/65/64/383026564.db2.gz ZTVFVNFLCQRHDX-XUWVNRHRSA-N 2 0 278.371 2.515 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423043994 383027208 /nfs/dbraw/zinc/02/72/08/383027208.db2.gz QKTYWPFHPQLYQZ-UGUYLWEFSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000423044581 383027666 /nfs/dbraw/zinc/02/76/66/383027666.db2.gz BOIVOPATUZQPKY-IWCQGFGOSA-N 2 0 280.456 2.844 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423492107 383120601 /nfs/dbraw/zinc/12/06/01/383120601.db2.gz LSQQXPPDONDGIP-SDDRHHMPSA-N 2 0 296.386 2.621 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1(C)C ZINC000423500342 383122882 /nfs/dbraw/zinc/12/28/82/383122882.db2.gz IOQMKNWITNQZPS-APIJFGDWSA-N 2 0 268.445 2.543 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423542735 383125959 /nfs/dbraw/zinc/12/59/59/383125959.db2.gz MQTDELNPPHDUQT-DLTWYDFYSA-N 2 0 286.419 2.878 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423537619 383126165 /nfs/dbraw/zinc/12/61/65/383126165.db2.gz DJDLXIMZYWAHGM-ATNYBXOESA-N 2 0 286.419 2.660 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423544968 383126302 /nfs/dbraw/zinc/12/63/02/383126302.db2.gz DFDAEYRYTNGJDJ-INIZCTEOSA-N 2 0 259.397 2.665 20 0 CFADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[C@@H]12 ZINC000423550181 383127479 /nfs/dbraw/zinc/12/74/79/383127479.db2.gz SOHQIGJZZYLOSC-YQQAZPJKSA-N 2 0 292.467 2.704 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246975306 383127568 /nfs/dbraw/zinc/12/75/68/383127568.db2.gz JSHHLGBNMCMNLG-QDEZUTFSSA-N 2 0 276.424 2.642 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H](C)C1 ZINC000247015105 383132902 /nfs/dbraw/zinc/13/29/02/383132902.db2.gz MMPLPXRNXSAHIH-RDJZCZTQSA-N 2 0 298.434 2.692 20 0 CFADRP COc1cc(C)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000449023872 383138357 /nfs/dbraw/zinc/13/83/57/383138357.db2.gz VSRUIBLGYCFOBL-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339066852 383138999 /nfs/dbraw/zinc/13/89/99/383138999.db2.gz IFNXKMVSXFRUSD-IAGOWNOFSA-N 2 0 288.435 2.763 20 0 CFADRP Oc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339076992 383140093 /nfs/dbraw/zinc/14/00/93/383140093.db2.gz XFKPIBMHNBKYFM-HOTGVXAUSA-N 2 0 274.408 2.541 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000247077168 383140330 /nfs/dbraw/zinc/14/03/30/383140330.db2.gz OPJNAESPVDNCEG-JQHSSLGASA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394684 383081055 /nfs/dbraw/zinc/08/10/55/383081055.db2.gz MXYHRUBUHKDHNA-AHIWAGSCSA-N 2 0 271.408 2.555 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000423394774 383081114 /nfs/dbraw/zinc/08/11/14/383081114.db2.gz SIDSKWSFYNMRTJ-SNPRPXQTSA-N 2 0 292.423 2.885 20 0 CFADRP Cc1cccc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000552325311 383081594 /nfs/dbraw/zinc/08/15/94/383081594.db2.gz RUOHFPHSKYZKDL-UHFFFAOYSA-N 2 0 287.451 2.787 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@H](C)c3ccccc32)CC[NH2+]CC1 ZINC000423397998 383082193 /nfs/dbraw/zinc/08/21/93/383082193.db2.gz COQDZMLPXVZEON-YOEHRIQHSA-N 2 0 288.435 2.841 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C12CCCCC2 ZINC000423396682 383082241 /nfs/dbraw/zinc/08/22/41/383082241.db2.gz SHNWTGQURBTMSZ-XUWVNRHRSA-N 2 0 280.456 2.974 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423403531 383084106 /nfs/dbraw/zinc/08/41/06/383084106.db2.gz YGWOACQZWFCORN-KNCOVGOOSA-N 2 0 276.424 2.917 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423403122 383084542 /nfs/dbraw/zinc/08/45/42/383084542.db2.gz YEYQSQAHLFPCDH-XHVZSJERSA-N 2 0 265.426 2.559 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423405675 383084982 /nfs/dbraw/zinc/08/49/82/383084982.db2.gz YGKRSEGXZLTHAF-SRVKXCTJSA-N 2 0 296.386 2.763 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423405872 383085430 /nfs/dbraw/zinc/08/54/30/383085430.db2.gz UGGBAPLZKIKRNN-DQYPLSBCSA-N 2 0 274.408 2.660 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cn1 ZINC000423406909 383085467 /nfs/dbraw/zinc/08/54/67/383085467.db2.gz ZIVSMRYIGLWURZ-ZDUSSCGKSA-N 2 0 284.407 2.918 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(F)c1 ZINC000423405813 383085799 /nfs/dbraw/zinc/08/57/99/383085799.db2.gz TZEJIZKCFPSAOI-CQDKDKBSSA-N 2 0 250.361 2.864 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423409358 383086738 /nfs/dbraw/zinc/08/67/38/383086738.db2.gz YUIKKUBRUKJMED-RLCCDNCMSA-N 2 0 262.372 2.791 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)C2CCCCCC2)CCC[NH2+]1 ZINC000423412609 383087531 /nfs/dbraw/zinc/08/75/31/383087531.db2.gz IDDIOYABGOBTDW-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](CCC(C)C)C2CC2)CCC[NH2+]1 ZINC000423418595 383089861 /nfs/dbraw/zinc/08/98/61/383089861.db2.gz UYSSASUPQQLISJ-CVEARBPZSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](CCC(C)C)C2CC2)CCC[NH2+]1 ZINC000423418596 383090228 /nfs/dbraw/zinc/09/02/28/383090228.db2.gz UYSSASUPQQLISJ-HOTGVXAUSA-N 2 0 268.445 2.559 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423422603 383090606 /nfs/dbraw/zinc/09/06/06/383090606.db2.gz BNEAYJLYHMWZJF-VBNZEHGJSA-N 2 0 273.424 2.683 20 0 CFADRP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423421444 383090969 /nfs/dbraw/zinc/09/09/69/383090969.db2.gz BZNHOGDEXYIQPB-GAUGTXIDSA-N 2 0 276.811 2.784 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(CO)c1 ZINC000423425691 383091374 /nfs/dbraw/zinc/09/13/74/383091374.db2.gz OPTKRQAQYNVNPV-RBSFLKMASA-N 2 0 276.424 2.595 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccncc1F ZINC000423426522 383091691 /nfs/dbraw/zinc/09/16/91/383091691.db2.gz PMAMHBLMLIBJJY-JHJVBQTASA-N 2 0 265.376 2.636 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423428562 383092643 /nfs/dbraw/zinc/09/26/43/383092643.db2.gz JLKPANWWWUQCMH-CRAIPNDOSA-N 2 0 298.434 2.868 20 0 CFADRP c1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCC2)cc1 ZINC000423427737 383092746 /nfs/dbraw/zinc/09/27/46/383092746.db2.gz ITMAJPFXJORHET-TWMKSMIVSA-N 2 0 256.393 2.725 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000423432973 383093535 /nfs/dbraw/zinc/09/35/35/383093535.db2.gz JPNDJDMNPIOCTG-VBNZEHGJSA-N 2 0 276.428 2.503 20 0 CFADRP CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccn1 ZINC000423430618 383093644 /nfs/dbraw/zinc/09/36/44/383093644.db2.gz IAJAJGVEUWGTPE-USXIJHARSA-N 2 0 273.424 2.901 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000423441519 383097518 /nfs/dbraw/zinc/09/75/18/383097518.db2.gz UNOWOFRDZAQKPC-RISCZKNCSA-N 2 0 280.387 2.929 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000423445106 383099055 /nfs/dbraw/zinc/09/90/55/383099055.db2.gz XKVBZOPETQDFGV-GJZGRUSLSA-N 2 0 291.439 2.535 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)c1ccc(Cl)cc1 ZINC000423448470 383099556 /nfs/dbraw/zinc/09/95/56/383099556.db2.gz FFEMUROEQCOONH-PSDLAXTLSA-N 2 0 264.800 2.639 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](c2ccsc2)O1 ZINC000246750450 383100382 /nfs/dbraw/zinc/10/03/82/383100382.db2.gz ZUCQWIZQNJJIHX-DOMZBBRYSA-N 2 0 280.437 2.510 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423453563 383101015 /nfs/dbraw/zinc/10/10/15/383101015.db2.gz AQCZIKABVCHGGP-SUYBPPKGSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000423453751 383101031 /nfs/dbraw/zinc/10/10/31/383101031.db2.gz YAPZCXHTYXLPFD-CENPHQPOSA-N 2 0 287.451 2.507 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000247110730 383144397 /nfs/dbraw/zinc/14/43/97/383144397.db2.gz QMKQFUFGCBGZPY-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000423460215 383103716 /nfs/dbraw/zinc/10/37/16/383103716.db2.gz MBLROZQPZWJFEE-BFHYXJOUSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000423462790 383105041 /nfs/dbraw/zinc/10/50/41/383105041.db2.gz PLWQHKKVAMRJCA-SGMGOOAPSA-N 2 0 276.380 2.583 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423465967 383105714 /nfs/dbraw/zinc/10/57/14/383105714.db2.gz AGETZYWWSOTPRW-DOTOQJQBSA-N 2 0 275.440 2.915 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423465559 383105937 /nfs/dbraw/zinc/10/59/37/383105937.db2.gz WPPQRJJBEGMHNY-XHDPSFHLSA-N 2 0 291.395 2.948 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000423467790 383107380 /nfs/dbraw/zinc/10/73/80/383107380.db2.gz UMCXKBVPVMIXBH-DJSGYFEHSA-N 2 0 262.372 2.920 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423470406 383108435 /nfs/dbraw/zinc/10/84/35/383108435.db2.gz PHSLPLJZTWMIQQ-ZWNOBZJWSA-N 2 0 256.340 2.613 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423472132 383109571 /nfs/dbraw/zinc/10/95/71/383109571.db2.gz XMNLFCRSZUFGDN-RBSFLKMASA-N 2 0 289.423 2.511 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423480526 383112942 /nfs/dbraw/zinc/11/29/42/383112942.db2.gz NJYCOGNDQPWTAO-STQMWFEESA-N 2 0 279.453 2.951 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423478737 383113182 /nfs/dbraw/zinc/11/31/82/383113182.db2.gz LFNZMCUFISETSR-VXGBXAGGSA-N 2 0 268.426 2.940 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(Cl)cc1 ZINC000423482691 383113554 /nfs/dbraw/zinc/11/35/54/383113554.db2.gz RUQPAQFWNMYNIQ-HZPDHXFCSA-N 2 0 295.858 2.674 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246868242 383114983 /nfs/dbraw/zinc/11/49/83/383114983.db2.gz CUKAEZHAESSBOI-CWLKWCNXSA-N 2 0 290.451 2.613 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000423492083 383118784 /nfs/dbraw/zinc/11/87/84/383118784.db2.gz LOCSVHJZLDWBLF-DYEKYZERSA-N 2 0 262.422 2.941 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000423491372 383118943 /nfs/dbraw/zinc/11/89/43/383118943.db2.gz JJTIAYFDGNVILT-UGFHNGPFSA-N 2 0 250.361 2.994 20 0 CFADRP COCC1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000449095813 383173456 /nfs/dbraw/zinc/17/34/56/383173456.db2.gz BHYWGKKQLVNABC-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H]2CCCc3ccccc32)n1C ZINC000517247395 383173584 /nfs/dbraw/zinc/17/35/84/383173584.db2.gz TXCXVNFVFGKPFP-OAHLLOKOSA-N 2 0 269.392 2.938 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449095541 383173652 /nfs/dbraw/zinc/17/36/52/383173652.db2.gz ZFJSERBLHBQWOT-ZFWWWQNUSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449103589 383177045 /nfs/dbraw/zinc/17/70/45/383177045.db2.gz QXFYMRRAGGWQIS-OAGGEKHMSA-N 2 0 294.439 2.690 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(COC)CC2)C1 ZINC000449106872 383178583 /nfs/dbraw/zinc/17/85/83/383178583.db2.gz NEIHAAMHDZPQOA-PCKAHOCUSA-N 2 0 268.445 2.513 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCC12CCC2 ZINC000449148726 383180843 /nfs/dbraw/zinc/18/08/43/383180843.db2.gz KZWNWDJBUJJDMI-HOTGVXAUSA-N 2 0 280.456 2.536 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449196670 383183424 /nfs/dbraw/zinc/18/34/24/383183424.db2.gz YWPMTMDSDIPZKI-GVDBMIGSSA-N 2 0 292.467 2.677 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000449213295 383184087 /nfs/dbraw/zinc/18/40/87/383184087.db2.gz VDPDLHNBEXYKGX-RRFJBIMHSA-N 2 0 270.486 2.696 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)C1CCCC1 ZINC000449220557 383184888 /nfs/dbraw/zinc/18/48/88/383184888.db2.gz HWLJJPRCJGLYIA-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339413776 383195220 /nfs/dbraw/zinc/19/52/20/383195220.db2.gz ZRMTVCPUPARIJI-HZPDHXFCSA-N 2 0 276.424 2.905 20 0 CFADRP COCC[C@H](NCc1cncn1C(C)C)c1ccco1 ZINC000424163460 383195363 /nfs/dbraw/zinc/19/53/63/383195363.db2.gz DWDGTXUVONHEJT-AWEZNQCLSA-N 2 0 277.368 2.924 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CSc3ccccc3O2)CC1 ZINC000566679135 383200552 /nfs/dbraw/zinc/20/05/52/383200552.db2.gz VIZBXYGXHONWAW-JXQTWKCFSA-N 2 0 292.448 2.647 20 0 CFADRP Cc1cccc2nc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cn21 ZINC000247939770 383200717 /nfs/dbraw/zinc/20/07/17/383200717.db2.gz CWQHQPBUVCIUGL-DOTOQJQBSA-N 2 0 298.434 2.559 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449288891 383201102 /nfs/dbraw/zinc/20/11/02/383201102.db2.gz PASPNGBDPCYLKW-ZDUSSCGKSA-N 2 0 262.397 2.675 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424387767 383205194 /nfs/dbraw/zinc/20/51/94/383205194.db2.gz YSDNHYNDLDMNDF-OOVXDXFJSA-N 2 0 284.403 2.630 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N(C)c1ccccc1 ZINC000247233676 383154876 /nfs/dbraw/zinc/15/48/76/383154876.db2.gz YKZIRCJKNAPMQB-PMPSAXMXSA-N 2 0 275.440 2.584 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000449061085 383156932 /nfs/dbraw/zinc/15/69/32/383156932.db2.gz UWHOKPDFDQIOPR-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000339131419 383160109 /nfs/dbraw/zinc/16/01/09/383160109.db2.gz HZIQQGJKRQTITN-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000339131420 383160222 /nfs/dbraw/zinc/16/02/22/383160222.db2.gz HZIQQGJKRQTITN-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000449078388 383163745 /nfs/dbraw/zinc/16/37/45/383163745.db2.gz UVPBBALOFXQHPC-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449080028 383165316 /nfs/dbraw/zinc/16/53/16/383165316.db2.gz SAWJOFSRLADGOL-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@@H](C)O1 ZINC000449084239 383167446 /nfs/dbraw/zinc/16/74/46/383167446.db2.gz XDSDSNHAQGIHMP-BZUAXINKSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495442 296343215 /nfs/dbraw/zinc/34/32/15/296343215.db2.gz LQGCCXZLSZMUFC-PMPSAXMXSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000566791848 383212133 /nfs/dbraw/zinc/21/21/33/383212133.db2.gz UOFACACIUXZHHB-DXCKQFNASA-N 2 0 286.423 2.744 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)C[NH+]1CCCCC1 ZINC000449088912 383170148 /nfs/dbraw/zinc/17/01/48/383170148.db2.gz JCIIXWFWDJAILB-CABCVRRESA-N 2 0 264.413 2.922 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449377452 383247063 /nfs/dbraw/zinc/24/70/63/383247063.db2.gz AFBPPQSRYZUESN-AGIUHOORSA-N 2 0 294.361 2.560 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000248481654 383249292 /nfs/dbraw/zinc/24/92/92/383249292.db2.gz BJVZKNMTZYHMOW-OBJOEFQTSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248623970 383273088 /nfs/dbraw/zinc/27/30/88/383273088.db2.gz CAPLEAZSACZQJG-CWLKWCNXSA-N 2 0 289.467 2.750 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248654501 383279024 /nfs/dbraw/zinc/27/90/24/383279024.db2.gz AADZXIYQECUDOV-OVYGPGRDSA-N 2 0 292.467 2.797 20 0 CFADRP Fc1cncc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000339497489 383217120 /nfs/dbraw/zinc/21/71/20/383217120.db2.gz KHDICEMHTNTRQR-UHFFFAOYSA-N 2 0 265.376 2.576 20 0 CFADRP Cc1csc(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000339501166 383219383 /nfs/dbraw/zinc/21/93/83/383219383.db2.gz VVPZKQZKOCIIQS-UHFFFAOYSA-N 2 0 267.442 2.807 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3cccnc3o2)C1 ZINC000449327875 383219971 /nfs/dbraw/zinc/21/99/71/383219971.db2.gz DGUVEOQUPMWZPL-GDBMZVCRSA-N 2 0 285.391 2.744 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449338970 383226032 /nfs/dbraw/zinc/22/60/32/383226032.db2.gz TUMIKDASSZVXCI-JKSUJKDBSA-N 2 0 297.487 2.522 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC(C)(F)F ZINC000449353506 383234471 /nfs/dbraw/zinc/23/44/71/383234471.db2.gz CHVMYWBQKQKLBT-UHFFFAOYSA-N 2 0 280.322 2.711 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]1 ZINC000567029019 383235305 /nfs/dbraw/zinc/23/53/05/383235305.db2.gz LOCUDDJIZHBPNS-ZWNOBZJWSA-N 2 0 254.324 2.854 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC1(C[NH+]2[C@H](C)CC[C@H]2C)COC1 ZINC000248410291 383237963 /nfs/dbraw/zinc/23/79/63/383237963.db2.gz DBWJWHZVSPCOMB-KLHDSHLOSA-N 2 0 280.456 2.749 20 0 CFADRP CO[C@@H](C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248413445 383239048 /nfs/dbraw/zinc/23/90/48/383239048.db2.gz GDNYZTAUWKNFTP-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+]CC2(C)CC2)cc1 ZINC000567100305 383241325 /nfs/dbraw/zinc/24/13/25/383241325.db2.gz HBGOWVGOACRGQG-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248460050 383246333 /nfs/dbraw/zinc/24/63/33/383246333.db2.gz WDLODSPYIMPVLZ-YJBOKZPZSA-N 2 0 290.451 2.777 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000249132248 383329281 /nfs/dbraw/zinc/32/92/81/383329281.db2.gz UZIXYGADOCNOHJ-BKAAIYKLSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000249140490 383330150 /nfs/dbraw/zinc/33/01/50/383330150.db2.gz ZJOUBPRIYCKSGF-ZACQAIPSSA-N 2 0 274.408 2.591 20 0 CFADRP Cc1cccn2c(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cnc12 ZINC000634732446 383333740 /nfs/dbraw/zinc/33/37/40/383333740.db2.gz GSASMCXWVKSWSE-CQSZACIVSA-N 2 0 286.423 2.511 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732797 383335362 /nfs/dbraw/zinc/33/53/62/383335362.db2.gz OZMZXYVTKYBUAS-INIZCTEOSA-N 2 0 276.424 2.701 20 0 CFADRP CCCCOc1cc(C[N@H+](C)CCC[NH3+])ccc1OC ZINC000567501673 383282965 /nfs/dbraw/zinc/28/29/65/383282965.db2.gz BMGAEBQCGSCVFA-UHFFFAOYSA-N 2 0 280.412 2.655 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000567515901 383283445 /nfs/dbraw/zinc/28/34/45/383283445.db2.gz IWOCCSUAQVNRIC-KZNAEPCWSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CC[NH+](C3CC3)CC2)C1 ZINC000459384181 383287613 /nfs/dbraw/zinc/28/76/13/383287613.db2.gz YOYOMTZVQARTBM-HZPDHXFCSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000567627475 383295971 /nfs/dbraw/zinc/29/59/71/383295971.db2.gz SEWDBUBPGRRMBL-VXGBXAGGSA-N 2 0 281.469 2.843 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000567639376 383296277 /nfs/dbraw/zinc/29/62/77/383296277.db2.gz KVQMLAOEQFFFNS-OAHLLOKOSA-N 2 0 262.397 2.747 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459773750 383297274 /nfs/dbraw/zinc/29/72/74/383297274.db2.gz IVQBECNJPCIRBV-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634678165 383307794 /nfs/dbraw/zinc/30/77/94/383307794.db2.gz KVQHXGBYEMYPCI-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679681 383308468 /nfs/dbraw/zinc/30/84/68/383308468.db2.gz BOMXJUFIVJMJKJ-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634687487 383319028 /nfs/dbraw/zinc/31/90/28/383319028.db2.gz MSOADSRNPAMYSL-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634687762 383320042 /nfs/dbraw/zinc/32/00/42/383320042.db2.gz YKVIDUHVCFURJD-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP C[N@H+](Cc1cccc2ncccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000634688495 383320383 /nfs/dbraw/zinc/32/03/83/383320383.db2.gz UNONWTXPAXXJOF-XYPWUTKMSA-N 2 0 281.403 2.950 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000567871059 383325178 /nfs/dbraw/zinc/32/51/78/383325178.db2.gz MBLXDKQVTFGJRE-UONOGXRCSA-N 2 0 269.392 2.964 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C2 ZINC000567871080 383325237 /nfs/dbraw/zinc/32/52/37/383325237.db2.gz NUOAFQXCMINRHN-QGZVFWFLSA-N 2 0 296.414 2.801 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000251487380 383389212 /nfs/dbraw/zinc/38/92/12/383389212.db2.gz BYUBYJFRJIWYIP-KCQAQPDRSA-N 2 0 262.397 2.815 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000340240693 383389163 /nfs/dbraw/zinc/38/91/63/383389163.db2.gz VYATWEYACKDEOU-SJORKVTESA-N 2 0 294.483 2.926 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477925767 383392296 /nfs/dbraw/zinc/39/22/96/383392296.db2.gz JJHKVEAOYRYUDE-DZOHQFGASA-N 2 0 288.435 2.694 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2=CCCCC2)CC1 ZINC000450393957 383393302 /nfs/dbraw/zinc/39/33/02/383393302.db2.gz RABGWERTXCICEL-GOSISDBHSA-N 2 0 291.483 2.589 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251701378 383393820 /nfs/dbraw/zinc/39/38/20/383393820.db2.gz NRBVLQGYBUAQFU-OUCADQQQSA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)Oc1ccc2[nH+]ccc(N3CC([NH+](C)C)C3)c2c1 ZINC000450409681 383397291 /nfs/dbraw/zinc/39/72/91/383397291.db2.gz LBJCXWXJUYQVOH-UHFFFAOYSA-N 2 0 285.391 2.772 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252157689 383405086 /nfs/dbraw/zinc/40/50/86/383405086.db2.gz NOMZSXLPOBZBKL-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252513125 383416491 /nfs/dbraw/zinc/41/64/91/383416491.db2.gz KUTBBSIJMBOVDY-IRXDYDNUSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccncc1Cl ZINC000568102419 383358169 /nfs/dbraw/zinc/35/81/69/383358169.db2.gz RUNRGGPWWWRLHJ-VHSXEESVSA-N 2 0 276.771 2.666 20 0 CFADRP COCC(C)(C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000425282538 383359022 /nfs/dbraw/zinc/35/90/22/383359022.db2.gz RQCQNGGESFAPDP-UHFFFAOYSA-N 2 0 299.418 2.782 20 0 CFADRP C[NH+](C/C=C/C[N@@H+](C)Cc1ccoc1)Cc1ccoc1 ZINC000340172402 383367341 /nfs/dbraw/zinc/36/73/41/383367341.db2.gz SBZDYVKQIBOGCR-ONEGZZNKSA-N 2 0 274.364 2.993 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000340172988 383367411 /nfs/dbraw/zinc/36/74/11/383367411.db2.gz DDSRFRFCPWQDRH-MRXNPFEDSA-N 2 0 299.418 2.631 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340180598 383372189 /nfs/dbraw/zinc/37/21/89/383372189.db2.gz HPKFCZTTXMMQAJ-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000250234261 383373715 /nfs/dbraw/zinc/37/37/15/383373715.db2.gz DGAFJJBEHRUVHY-BRWVUGGUSA-N 2 0 273.424 2.525 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000425363366 383376059 /nfs/dbraw/zinc/37/60/59/383376059.db2.gz XBNQEAVCLFDXDA-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP c1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250532676 383377035 /nfs/dbraw/zinc/37/70/35/383377035.db2.gz GXGZCUOZEZLLIN-CVEARBPZSA-N 2 0 274.408 2.672 20 0 CFADRP c1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250531219 383377120 /nfs/dbraw/zinc/37/71/20/383377120.db2.gz FCWUILBQHODWKD-RCCFBDPRSA-N 2 0 288.435 2.966 20 0 CFADRP Cc1ncncc1[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000568236856 383378905 /nfs/dbraw/zinc/37/89/05/383378905.db2.gz WVDLAWXPIIBCAA-KGLIPLIRSA-N 2 0 276.428 2.700 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](OC)C1CC1 ZINC000425433780 383379090 /nfs/dbraw/zinc/37/90/90/383379090.db2.gz OEODIAQCMZRKNA-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP C1CC1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250844316 383381490 /nfs/dbraw/zinc/38/14/90/383381490.db2.gz MRTLKAUXROFMGF-KZNAEPCWSA-N 2 0 291.483 2.514 20 0 CFADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)COC1CCCCC1 ZINC000250942234 383383215 /nfs/dbraw/zinc/38/32/15/383383215.db2.gz ZSVLQTLQNPXEKF-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000568270062 383385256 /nfs/dbraw/zinc/38/52/56/383385256.db2.gz MNHSNJHFKQDETO-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000340474331 383432845 /nfs/dbraw/zinc/43/28/45/383432845.db2.gz GQVIZESEPUHZTG-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP COC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C(C)C ZINC000340476194 383435642 /nfs/dbraw/zinc/43/56/42/383435642.db2.gz FHVIHKDZBYMOEN-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccncc1F ZINC000340476202 383435768 /nfs/dbraw/zinc/43/57/68/383435768.db2.gz FVOAOSDZLQYBSS-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](CO)C2CCCCC2)CC1 ZINC000340482377 383437499 /nfs/dbraw/zinc/43/74/99/383437499.db2.gz GBNMGHKCQTZWEP-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000340495169 383442103 /nfs/dbraw/zinc/44/21/03/383442103.db2.gz DSSWMOANBWIBHV-HZPDHXFCSA-N 2 0 292.471 2.618 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)no1 ZINC000340508385 383448685 /nfs/dbraw/zinc/44/86/85/383448685.db2.gz UFSAHZVJBMNCTL-LBPRGKRZSA-N 2 0 263.385 2.508 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634996345 383452622 /nfs/dbraw/zinc/45/26/22/383452622.db2.gz HLSNIQZXWUQBQZ-STQMWFEESA-N 2 0 284.407 2.546 20 0 CFADRP CCC[C@@H](C[NH+]1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000635001262 383457430 /nfs/dbraw/zinc/45/74/30/383457430.db2.gz MJEGVSGNRIORFG-KRWDZBQOSA-N 2 0 290.451 2.617 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000634999579 383457580 /nfs/dbraw/zinc/45/75/80/383457580.db2.gz WQKQVXKWJIEAEE-MRXNPFEDSA-N 2 0 281.488 2.700 20 0 CFADRP COc1ccc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999510 383457584 /nfs/dbraw/zinc/45/75/84/383457584.db2.gz VPHQEEZMXOCPMN-DZGCQCFKSA-N 2 0 284.403 2.875 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002052 383458876 /nfs/dbraw/zinc/45/88/76/383458876.db2.gz LGXYTRBSILQTPB-ZBOXLXRLSA-N 2 0 289.379 2.702 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000635002773 383458882 /nfs/dbraw/zinc/45/88/82/383458882.db2.gz ZHCFJWGTUJHQIP-KWCHVYNWSA-N 2 0 268.351 2.943 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000569000537 383459139 /nfs/dbraw/zinc/45/91/39/383459139.db2.gz LFZHBLTTYBEVCV-GVDBMIGSSA-N 2 0 287.451 2.763 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000635003994 383459360 /nfs/dbraw/zinc/45/93/60/383459360.db2.gz GJVOUGRJDJTUBR-YUSALJHKSA-N 2 0 253.415 2.620 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000635005020 383460272 /nfs/dbraw/zinc/46/02/72/383460272.db2.gz GVKAMLPXAAOHFL-FMKPAKJESA-N 2 0 273.424 2.706 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)[C@H]1C[C@@H]1C ZINC000635005043 383460679 /nfs/dbraw/zinc/46/06/79/383460679.db2.gz GWNURGDNAJBYCD-HJWJTTGWSA-N 2 0 260.425 2.971 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)[C@H]1C[C@H]1C ZINC000635005044 383460729 /nfs/dbraw/zinc/46/07/29/383460729.db2.gz GWNURGDNAJBYCD-IWCQGFGOSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)COC2 ZINC000635005724 383461663 /nfs/dbraw/zinc/46/16/63/383461663.db2.gz KBUVZARXUSHOEZ-PBFPGSCMSA-N 2 0 274.408 2.885 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(CO)c1 ZINC000635007135 383463066 /nfs/dbraw/zinc/46/30/66/383463066.db2.gz AFRCHJAHNBOXRW-BBRMVZONSA-N 2 0 276.424 2.608 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000635007307 383463123 /nfs/dbraw/zinc/46/31/23/383463123.db2.gz ATVJYZGMOQXMQC-LUKYLMHMSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000635006834 383463136 /nfs/dbraw/zinc/46/31/36/383463136.db2.gz TXAUIJMOGXXSIU-OVYGPGRDSA-N 2 0 280.456 2.689 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)[C@H]1CC1(C)C ZINC000635006317 383463564 /nfs/dbraw/zinc/46/35/64/383463564.db2.gz LMKXZAOVCCKGSC-NUEKZKHPSA-N 2 0 260.425 2.971 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000635009553 383466202 /nfs/dbraw/zinc/46/62/02/383466202.db2.gz VZTGQTCZQZMXLB-LXZKKBNFSA-N 2 0 273.424 2.706 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000635010292 383466472 /nfs/dbraw/zinc/46/64/72/383466472.db2.gz JJXFXLWNKHCHPG-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCSCC1 ZINC000635010653 383466527 /nfs/dbraw/zinc/46/65/27/383466527.db2.gz KWVOJFNEIYELQO-GXTWGEPZSA-N 2 0 270.486 2.886 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1([C@@H]2CCCCO2)CCC1 ZINC000635011018 383466548 /nfs/dbraw/zinc/46/65/48/383466548.db2.gz CKQPLJSWRDFNPT-QXULXFAOSA-N 2 0 278.440 2.598 20 0 CFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccs1 ZINC000635011319 383466636 /nfs/dbraw/zinc/46/66/36/383466636.db2.gz ZJBPGXYURDIYRW-LBPRGKRZSA-N 2 0 288.420 2.726 20 0 CFADRP CC(C)(C)CC[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527244403 383468885 /nfs/dbraw/zinc/46/88/85/383468885.db2.gz NUSCLEUNHVNHJF-MRXNPFEDSA-N 2 0 282.472 2.638 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635013448 383469279 /nfs/dbraw/zinc/46/92/79/383469279.db2.gz TVSLQKZZUDPRSI-GDBMZVCRSA-N 2 0 257.381 2.918 20 0 CFADRP C[C@@]12C[C@@H]1CCC[C@H]2[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013347 383469852 /nfs/dbraw/zinc/46/98/52/383469852.db2.gz YABFSBMLOIJZHP-TTZDDIAXSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635023887 383474816 /nfs/dbraw/zinc/47/48/16/383474816.db2.gz UAOYYYJGLVMXAN-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000226436626 285023303 /nfs/dbraw/zinc/02/33/03/285023303.db2.gz WLIMPVGRNCXAHI-UONOGXRCSA-N 2 0 262.397 2.775 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000340439132 383420455 /nfs/dbraw/zinc/42/04/55/383420455.db2.gz HTFDKUGJXFOLIK-DAXOMENPSA-N 2 0 277.412 2.508 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CS1 ZINC000488454949 383544960 /nfs/dbraw/zinc/54/49/60/383544960.db2.gz JPGBUPOTADFXCC-KGLIPLIRSA-N 2 0 258.475 2.836 20 0 CFADRP Cc1cccc2c1C[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000429563557 383545489 /nfs/dbraw/zinc/54/54/89/383545489.db2.gz NLYBCLJBVCLYNQ-INIZCTEOSA-N 2 0 258.409 2.837 20 0 CFADRP [NH3+]CCN(CCc1ccccc1)Cc1cccc(F)c1 ZINC000261723912 383547889 /nfs/dbraw/zinc/54/78/89/383547889.db2.gz IQVKJLKPIVMXIV-UHFFFAOYSA-N 2 0 272.367 2.829 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261724110 383548260 /nfs/dbraw/zinc/54/82/60/383548260.db2.gz GJHKROQNIAZTAR-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCSCC[C@@H]1CCCC[N@@H+]1C ZINC000340696469 383491235 /nfs/dbraw/zinc/49/12/35/383491235.db2.gz QTELGZRKBKDJPJ-AWEZNQCLSA-N 2 0 258.475 2.936 20 0 CFADRP Clc1ccsc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257647224 383496744 /nfs/dbraw/zinc/49/67/44/383496744.db2.gz CJGJBFDODWNYLR-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000257644390 383496937 /nfs/dbraw/zinc/49/69/37/383496937.db2.gz BSCUDAQYWZWXBW-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429579940 383550670 /nfs/dbraw/zinc/55/06/70/383550670.db2.gz NOEZOQHHVOVVSZ-WFASDCNBSA-N 2 0 275.396 2.519 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569566720 383512327 /nfs/dbraw/zinc/51/23/27/383512327.db2.gz XKUPZYQJKBKVQJ-UNEWFSDZSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569566719 383512462 /nfs/dbraw/zinc/51/24/62/383512462.db2.gz XKUPZYQJKBKVQJ-QRTARXTBSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000261574304 383515947 /nfs/dbraw/zinc/51/59/47/383515947.db2.gz WYQRXIHGHKSTRU-RBSFLKMASA-N 2 0 279.453 2.504 20 0 CFADRP CC(C)[C@@H]1CN(C[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1C ZINC000450843225 383517357 /nfs/dbraw/zinc/51/73/57/383517357.db2.gz JYGLDWRCDVWXNL-SJORKVTESA-N 2 0 281.488 2.521 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000450851705 383520895 /nfs/dbraw/zinc/52/08/95/383520895.db2.gz BVXBSTRLLKDVJF-BPQIPLTHSA-N 2 0 290.451 2.567 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000261594950 383524331 /nfs/dbraw/zinc/52/43/31/383524331.db2.gz XVVSIRIAJWHBNK-GXFFZTMASA-N 2 0 283.213 2.537 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000450862149 383526536 /nfs/dbraw/zinc/52/65/36/383526536.db2.gz ZRBPWKYPARUHNV-DLBZAZTESA-N 2 0 281.488 2.665 20 0 CFADRP c1sc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261611021 383528563 /nfs/dbraw/zinc/52/85/63/383528563.db2.gz SKSBTXZRQBRJMF-CHWSQXEVSA-N 2 0 272.417 2.943 20 0 CFADRP FC(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261613682 383529075 /nfs/dbraw/zinc/52/90/75/383529075.db2.gz SVUYFHSCLGCQTL-UONOGXRCSA-N 2 0 266.335 2.666 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488418038 383534009 /nfs/dbraw/zinc/53/40/09/383534009.db2.gz XHFVNRKYMYEFIQ-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000261651667 383537036 /nfs/dbraw/zinc/53/70/36/383537036.db2.gz YITSUEHKGLEARG-GUYCJALGSA-N 2 0 254.377 2.927 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000488434925 383537669 /nfs/dbraw/zinc/53/76/69/383537669.db2.gz UIIYXRUPDJPDCU-RISCZKNCSA-N 2 0 250.361 2.633 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000488440144 383538995 /nfs/dbraw/zinc/53/89/95/383538995.db2.gz PRWULAQMTWXSMC-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261686795 383542268 /nfs/dbraw/zinc/54/22/68/383542268.db2.gz HJKWVJCFMCNPMP-KRWDZBQOSA-N 2 0 270.376 2.927 20 0 CFADRP C[C@]1(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000261684068 383542295 /nfs/dbraw/zinc/54/22/95/383542295.db2.gz ABJJAJIPFLDERB-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP CC[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+](CC)CC ZINC000429553056 383543466 /nfs/dbraw/zinc/54/34/66/383543466.db2.gz MJJBZDPPPNYKNY-SWLSCSKDSA-N 2 0 277.412 2.765 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000429833906 383572712 /nfs/dbraw/zinc/57/27/12/383572712.db2.gz VJHPQLGWJNBJQG-ZWKOTPCHSA-N 2 0 287.451 2.739 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc3ccccc3n2)C1 ZINC000570174602 383578955 /nfs/dbraw/zinc/57/89/55/383578955.db2.gz BTJZTHNVDHEACW-GOEBONIOSA-N 2 0 269.392 2.637 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261933338 383581703 /nfs/dbraw/zinc/58/17/03/383581703.db2.gz LTPQHFUYSYTZDH-MRXNPFEDSA-N 2 0 274.408 2.646 20 0 CFADRP Fc1cccc(F)c1[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261928483 383582000 /nfs/dbraw/zinc/58/20/00/383582000.db2.gz LGEQKPPSBQZUAE-ZDUSSCGKSA-N 2 0 280.362 2.754 20 0 CFADRP FC(F)COc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261941866 383583326 /nfs/dbraw/zinc/58/33/26/383583326.db2.gz DUMFRWGRIYLMFO-MRXNPFEDSA-N 2 0 296.361 2.516 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC[NH2+]C1 ZINC000261958386 383587693 /nfs/dbraw/zinc/58/76/93/383587693.db2.gz GWRHRBXAEQJLPC-ROUUACIJSA-N 2 0 288.435 2.525 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000261975314 383589142 /nfs/dbraw/zinc/58/91/42/383589142.db2.gz QUDXSLPMOODBLS-LZWOXQAQSA-N 2 0 292.398 2.784 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000430148131 383589929 /nfs/dbraw/zinc/58/99/29/383589929.db2.gz RBPIECLDDHGQCB-KSZLIROESA-N 2 0 270.420 2.818 20 0 CFADRP COCC[N@H+](C)CCCNc1nccc2cc(F)ccc21 ZINC000570275663 383589914 /nfs/dbraw/zinc/58/99/14/383589914.db2.gz NKBGHHUDUHUGMG-UHFFFAOYSA-N 2 0 291.370 2.754 20 0 CFADRP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)c(-c2ccnn2C)c1 ZINC000261985091 383590949 /nfs/dbraw/zinc/59/09/49/383590949.db2.gz RVALARYYBIPQFO-UHFFFAOYSA-N 2 0 298.434 2.579 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451354483 383595924 /nfs/dbraw/zinc/59/59/24/383595924.db2.gz RNTMSKCPPGHPBE-GVDBMIGSSA-N 2 0 282.472 2.734 20 0 CFADRP Cc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)s1 ZINC000570380573 383598303 /nfs/dbraw/zinc/59/83/03/383598303.db2.gz JBSGRNKYMHLBPT-CQSZACIVSA-N 2 0 252.427 2.844 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2scnc2C2CC2)cc1 ZINC000570396653 383600727 /nfs/dbraw/zinc/60/07/27/383600727.db2.gz NMQDRMYFCLPLSC-UHFFFAOYSA-N 2 0 273.405 2.769 20 0 CFADRP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000262107546 383606480 /nfs/dbraw/zinc/60/64/80/383606480.db2.gz WBUKWWQOFGUFFK-KKUMJFAQSA-N 2 0 298.390 2.789 20 0 CFADRP Cc1cc(F)ccc1CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000262128660 383607796 /nfs/dbraw/zinc/60/77/96/383607796.db2.gz XWSUUOJFVZFKLJ-OAHLLOKOSA-N 2 0 250.361 2.566 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261759805 383554277 /nfs/dbraw/zinc/55/42/77/383554277.db2.gz LFQCJOGAOQUHLM-KRWDZBQOSA-N 2 0 292.423 2.525 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000569957509 383555629 /nfs/dbraw/zinc/55/56/29/383555629.db2.gz FGQHBOOTLKTLMY-QQFBHYJXSA-N 2 0 281.488 2.617 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430924586 383612851 /nfs/dbraw/zinc/61/28/51/383612851.db2.gz JLFOGCVARIGMMY-LSDHHAIUSA-N 2 0 292.423 2.523 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261768427 383556290 /nfs/dbraw/zinc/55/62/90/383556290.db2.gz DMAREAVZMMIFJB-LSDHHAIUSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261790114 383561800 /nfs/dbraw/zinc/56/18/00/383561800.db2.gz GCCYETSGHRFIPK-PWSUYJOCSA-N 2 0 265.426 2.580 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000570035829 383563266 /nfs/dbraw/zinc/56/32/66/383563266.db2.gz ZXYUNRJEFKTTHU-KBXCAEBGSA-N 2 0 298.434 2.694 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261827642 383566882 /nfs/dbraw/zinc/56/68/82/383566882.db2.gz UMXNIOUNSQJUOB-ZIAGYGMSSA-N 2 0 270.376 2.783 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC(C[NH3+])CC1)CO2 ZINC000570077672 383568909 /nfs/dbraw/zinc/56/89/09/383568909.db2.gz ISXZORQYWLEFHA-PIMMBPRGSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000261853376 383570183 /nfs/dbraw/zinc/57/01/83/383570183.db2.gz RRZWQNBSMHZETL-INIZCTEOSA-N 2 0 287.432 2.981 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000570832296 383640466 /nfs/dbraw/zinc/64/04/66/383640466.db2.gz FNRMFKJUUIIKDN-MNOVXSKESA-N 2 0 255.431 2.557 20 0 CFADRP CC(C)C(C[NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000570977164 383653306 /nfs/dbraw/zinc/65/33/06/383653306.db2.gz MYBCRQWBKPSXHT-UHFFFAOYSA-N 2 0 297.531 2.778 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430933800 383614059 /nfs/dbraw/zinc/61/40/59/383614059.db2.gz JVUDRFYNDNORNY-CYBMUJFWSA-N 2 0 252.789 2.553 20 0 CFADRP COc1cccc(CCC[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430952456 383615304 /nfs/dbraw/zinc/61/53/04/383615304.db2.gz ZAFPZRVPOISAJV-CQSZACIVSA-N 2 0 276.424 2.687 20 0 CFADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431084469 383628596 /nfs/dbraw/zinc/62/85/96/383628596.db2.gz OWJFPMZLMYJSPZ-NWDGAFQWSA-N 2 0 280.416 2.664 20 0 CFADRP CSc1ccc([C@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423145739 533007042 /nfs/dbraw/zinc/00/70/42/533007042.db2.gz MFBLJGCFORAPGJ-CJNGLKHVSA-N 2 0 295.496 2.728 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423321055 533007294 /nfs/dbraw/zinc/00/72/94/533007294.db2.gz FXULMXWJCAMJCQ-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ncc(C)cc2C)C1 ZINC000645812127 383758395 /nfs/dbraw/zinc/75/83/95/383758395.db2.gz OLGALYZWOWQYAD-INIZCTEOSA-N 2 0 275.440 2.515 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000453134484 383779713 /nfs/dbraw/zinc/77/97/13/383779713.db2.gz IRZCAAGMDZPRGP-DAYGRLMNSA-N 2 0 287.451 2.865 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](Cn2cccn2)C(C)C)CC1 ZINC000453106352 383768299 /nfs/dbraw/zinc/76/82/99/383768299.db2.gz IVSROMPQZVPCGN-KRWDZBQOSA-N 2 0 292.471 2.619 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000453109967 383769315 /nfs/dbraw/zinc/76/93/15/383769315.db2.gz QBVKBIZANSUSFP-JKSUJKDBSA-N 2 0 283.504 2.674 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cc2cnccn2)c1 ZINC000453111402 383770641 /nfs/dbraw/zinc/77/06/41/383770641.db2.gz RQYSRNZRGGQKPO-HNNXBMFYSA-N 2 0 298.434 2.649 20 0 CFADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422793128 533002935 /nfs/dbraw/zinc/00/29/35/533002935.db2.gz RRNOEXNVBULNKJ-RRCSTGOVSA-N 2 0 294.464 2.509 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453122452 383774836 /nfs/dbraw/zinc/77/48/36/383774836.db2.gz XQPZEBMOQFLPAK-ROUUACIJSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccncn1 ZINC000453121728 383775032 /nfs/dbraw/zinc/77/50/32/383775032.db2.gz OHHYBVSYSHJLET-HNNXBMFYSA-N 2 0 276.428 2.783 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571032494 383661261 /nfs/dbraw/zinc/66/12/61/383661261.db2.gz XAPCMIPBVSSEAW-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000571060165 383663002 /nfs/dbraw/zinc/66/30/02/383663002.db2.gz ARWGYUCWEJXUBL-QLFBSQMISA-N 2 0 282.815 2.887 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)CN(C)CC ZINC000571175747 383670501 /nfs/dbraw/zinc/67/05/01/383670501.db2.gz LZSIUDWPVSLVPI-QZTJIDSGSA-N 2 0 292.467 2.642 20 0 CFADRP CCC1([NH+](C)C)CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000640015117 383672822 /nfs/dbraw/zinc/67/28/22/383672822.db2.gz DOQRAKBOBLAPTN-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP CCc1nnc([C@H](C)N(C)CCCC[NH+]2CCCCC2)o1 ZINC000640530591 383818345 /nfs/dbraw/zinc/81/83/45/383818345.db2.gz DULCKYWWYPUOQT-AWEZNQCLSA-N 2 0 294.443 2.891 20 0 CFADRP FC(F)c1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000572493140 383787229 /nfs/dbraw/zinc/78/72/29/383787229.db2.gz BHSOPHROHMJPSN-CYBMUJFWSA-N 2 0 254.324 2.856 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000572593442 383796560 /nfs/dbraw/zinc/79/65/60/383796560.db2.gz XOBXUJWVTOYFTM-HNNXBMFYSA-N 2 0 250.361 2.866 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000572900404 383837395 /nfs/dbraw/zinc/83/73/95/383837395.db2.gz CWQFGHYPRFQQGD-MRXNPFEDSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453431962 383851917 /nfs/dbraw/zinc/85/19/17/383851917.db2.gz RYKOIVNBCJXJJA-APIJFGDWSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)C1 ZINC000453405641 383851955 /nfs/dbraw/zinc/85/19/55/383851955.db2.gz JQTZTLLLQUFHSU-MWQQHZPXSA-N 2 0 280.456 2.533 20 0 CFADRP CN(C)c1ccccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453590810 383863111 /nfs/dbraw/zinc/86/31/11/383863111.db2.gz BMLZHZIVGYXVCE-UHFFFAOYSA-N 2 0 275.440 2.717 20 0 CFADRP C[N@H+](CCCC[NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000453597870 383867174 /nfs/dbraw/zinc/86/71/74/383867174.db2.gz ONOQPRHIXYMXOI-PLNGDYQASA-N 2 0 259.397 2.559 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000453602541 383869202 /nfs/dbraw/zinc/86/92/02/383869202.db2.gz WSDUUZJKYFCPDI-UHFFFAOYSA-N 2 0 250.361 2.790 20 0 CFADRP CC[C@@H](c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104530 383874905 /nfs/dbraw/zinc/87/49/05/383874905.db2.gz PSFPFEQBFMEKOW-KRWDZBQOSA-N 2 0 288.435 2.934 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000531716054 383909037 /nfs/dbraw/zinc/90/90/37/383909037.db2.gz WBBWPKZQNNCIAW-SIXLDLHFSA-N 2 0 258.409 2.862 20 0 CFADRP OCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000573368789 383917162 /nfs/dbraw/zinc/91/71/62/383917162.db2.gz VGXNQSFFRRNUFW-QGZVFWFLSA-N 2 0 288.435 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423142413 533018451 /nfs/dbraw/zinc/01/84/51/533018451.db2.gz AKGBUDWSJKPOTO-HNNXBMFYSA-N 2 0 280.387 2.547 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000422706808 533019053 /nfs/dbraw/zinc/01/90/53/533019053.db2.gz VEKFBPLRCUFSHU-KRWDZBQOSA-N 2 0 272.392 2.683 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cc(C)cc(C)c1 ZINC000422922622 533019530 /nfs/dbraw/zinc/01/95/30/533019530.db2.gz QHEXKELVDSTBEK-RDJZCZTQSA-N 2 0 278.440 2.578 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000532195641 383990099 /nfs/dbraw/zinc/99/00/99/383990099.db2.gz VSZNNWZBIYYGFA-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000532212245 383991493 /nfs/dbraw/zinc/99/14/93/383991493.db2.gz PZJJQGRRPZYEDA-SJORKVTESA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000573815581 383997596 /nfs/dbraw/zinc/99/75/96/383997596.db2.gz SJPBNMPWSDQMPA-NXOAAHMSSA-N 3 0 281.488 2.747 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)C1 ZINC000573506985 383943100 /nfs/dbraw/zinc/94/31/00/383943100.db2.gz YGYADPOTIXYCRA-TYNCELHUSA-N 2 0 278.371 2.899 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000531941539 383943239 /nfs/dbraw/zinc/94/32/39/383943239.db2.gz VXFPVUFSKOOBEB-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC000438088976 383946293 /nfs/dbraw/zinc/94/62/93/383946293.db2.gz SJQAYQHSTWDSNE-ZACQAIPSSA-N 2 0 282.472 2.761 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000531970882 383947815 /nfs/dbraw/zinc/94/78/15/383947815.db2.gz TTYCJGRECFELBW-UONOGXRCSA-N 2 0 274.408 2.709 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423147896 533021773 /nfs/dbraw/zinc/02/17/73/533021773.db2.gz TVPLVOLRXXQRBH-IHRRRGAJSA-N 2 0 296.842 2.930 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438193484 383969000 /nfs/dbraw/zinc/96/90/00/383969000.db2.gz VJJVBDKOXDFZLS-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438193482 383969417 /nfs/dbraw/zinc/96/94/17/383969417.db2.gz VJJVBDKOXDFZLS-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CCc1ncc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000574188374 384059219 /nfs/dbraw/zinc/05/92/19/384059219.db2.gz GXAOLZRECYBBSM-QLFBSQMISA-N 2 0 277.412 2.637 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC000070359132 412975382 /nfs/dbraw/zinc/97/53/82/412975382.db2.gz XUTJWWSIFKKBDA-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]C[C@@H](C[N@@H+]1CC[C@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000574452954 384098133 /nfs/dbraw/zinc/09/81/33/384098133.db2.gz PWNYHJTTXUOIIQ-IRXDYDNUSA-N 2 0 299.393 2.753 20 0 CFADRP COc1ccc(O[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422782250 533030691 /nfs/dbraw/zinc/03/06/91/533030691.db2.gz GDKZPANCVHQCLD-KGLIPLIRSA-N 2 0 280.412 2.570 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ncc(-c3ccccc3)cn2)CC1 ZINC000574563028 384115001 /nfs/dbraw/zinc/11/50/01/384115001.db2.gz LFSCSXDCLHAPCN-UHFFFAOYSA-N 2 0 296.418 2.751 20 0 CFADRP CC[C@H](F)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000440515360 384092424 /nfs/dbraw/zinc/09/24/24/384092424.db2.gz YVXFVNBBNZKDNW-HOTGVXAUSA-N 2 0 279.403 2.583 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000574680821 384132820 /nfs/dbraw/zinc/13/28/20/384132820.db2.gz IHQLXCQXXPYLKE-DOMZBBRYSA-N 2 0 297.402 2.943 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574989389 384172401 /nfs/dbraw/zinc/17/24/01/384172401.db2.gz QCAIQGAQSCKLCF-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CCC(C)C)CC1 ZINC000574983003 384170930 /nfs/dbraw/zinc/17/09/30/384170930.db2.gz TYLOKRSPMFOIKJ-MRXNPFEDSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CC2CCSCC2)CC1 ZINC000637888548 384250237 /nfs/dbraw/zinc/25/02/37/384250237.db2.gz JGDTZDUMZIZGFI-UHFFFAOYSA-N 2 0 270.486 2.934 20 0 CFADRP CSc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000641707205 384277646 /nfs/dbraw/zinc/27/76/46/384277646.db2.gz CAPKATBLICTSPX-NWDGAFQWSA-N 2 0 266.410 2.718 20 0 CFADRP C[C@H]1CCC[N@H+](CCCCNc2ncnc(N)c2Cl)C1 ZINC000277307741 384262923 /nfs/dbraw/zinc/26/29/23/384262923.db2.gz CPYRUEKLVWBCAV-NSHDSACASA-N 2 0 297.834 2.636 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(OC)s2)CC1 ZINC000637906726 384266245 /nfs/dbraw/zinc/26/62/45/384266245.db2.gz XPLBOZUMTQGIHQ-UHFFFAOYSA-N 2 0 297.468 2.706 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000641741690 384308020 /nfs/dbraw/zinc/30/80/20/384308020.db2.gz PDJMPADBACOQBB-MXSMSXNCSA-N 2 0 294.483 2.923 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000637963777 384312373 /nfs/dbraw/zinc/31/23/73/384312373.db2.gz CKFOLPAOVDPTKK-UHFFFAOYSA-N 2 0 298.434 2.794 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccncc2N)C1 ZINC000641707583 384278615 /nfs/dbraw/zinc/27/86/15/384278615.db2.gz IUKJMGLDEFVPBF-GJZGRUSLSA-N 2 0 290.455 2.512 20 0 CFADRP CC[NH+](CC)CC[C@H](CO)NC/C=C/c1ccc(F)cc1 ZINC000641772316 384339244 /nfs/dbraw/zinc/33/92/44/384339244.db2.gz OXAZIDHQPDHETM-FUTAKVPZSA-N 2 0 294.414 2.521 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641806930 384373759 /nfs/dbraw/zinc/37/37/59/384373759.db2.gz SKYFDAGBTQVEMI-HZPDHXFCSA-N 2 0 292.423 2.570 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641799251 384364521 /nfs/dbraw/zinc/36/45/21/384364521.db2.gz PINTVZGXIGDYDH-LBPRGKRZSA-N 2 0 275.421 2.857 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CCCC3)O1)CC[NH2+]CC2 ZINC000641798308 384365048 /nfs/dbraw/zinc/36/50/48/384365048.db2.gz FFYKZSSDBKLGGB-HZPDHXFCSA-N 2 0 292.467 2.942 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cc2)n1 ZINC000641803592 384371474 /nfs/dbraw/zinc/37/14/74/384371474.db2.gz UDHXQCUAVDPWNB-DLBZAZTESA-N 2 0 298.434 2.705 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1nsc2ccccc12 ZINC000641802219 384371933 /nfs/dbraw/zinc/37/19/33/384371933.db2.gz ZSDDGBAZEZJGCX-KGLIPLIRSA-N 2 0 275.421 2.554 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261881740 285102445 /nfs/dbraw/zinc/10/24/45/285102445.db2.gz QZTFHSJWYSJEKG-MRXNPFEDSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641765638 384331777 /nfs/dbraw/zinc/33/17/77/384331777.db2.gz RKTVSUGGYDMPSW-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1nsc2ccccc21 ZINC000641823635 384380899 /nfs/dbraw/zinc/38/08/99/384380899.db2.gz SYSOTJQXZXIVGG-GHMZBOCLSA-N 2 0 261.394 2.608 20 0 CFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000638068094 384389563 /nfs/dbraw/zinc/38/95/63/384389563.db2.gz UZRNTGIQYTVRLL-HZPDHXFCSA-N 2 0 297.487 2.521 20 0 CFADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000638068086 384389600 /nfs/dbraw/zinc/38/96/00/384389600.db2.gz UZRNTGIQYTVRLL-CVEARBPZSA-N 2 0 297.487 2.521 20 0 CFADRP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000277732764 384389949 /nfs/dbraw/zinc/38/99/49/384389949.db2.gz JTORMTGBVNGQFA-OAHLLOKOSA-N 2 0 294.414 2.725 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000638134221 384445383 /nfs/dbraw/zinc/44/53/83/384445383.db2.gz MMWBZVGWTYSYNH-XIRDDKMYSA-N 2 0 282.472 2.711 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000277968665 384451553 /nfs/dbraw/zinc/45/15/53/384451553.db2.gz AIEAYFVRMDMXSA-ZDUSSCGKSA-N 2 0 259.397 2.607 20 0 CFADRP C([C@@H]1CCCO1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713041 384454936 /nfs/dbraw/zinc/45/49/36/384454936.db2.gz CSBQIEQLVHNCOE-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP CC[C@](C)(C[NH+]1CCC(CCC[NH+](C)C)CC1)OC ZINC000638119923 384430527 /nfs/dbraw/zinc/43/05/27/384430527.db2.gz BWKIVQMFLHIUQF-MRXNPFEDSA-N 2 0 270.461 2.855 20 0 CFADRP CCC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000638122143 384435943 /nfs/dbraw/zinc/43/59/43/384435943.db2.gz LPGLPOIBMGDBAL-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180379 384474448 /nfs/dbraw/zinc/47/44/48/384474448.db2.gz KJRPDWVODYPFQT-MVJTYMMSSA-N 2 0 294.483 2.996 20 0 CFADRP CCO[C@H](C[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000278156750 384486077 /nfs/dbraw/zinc/48/60/77/384486077.db2.gz ACRJWRVFOSXNBV-QGZVFWFLSA-N 2 0 276.424 2.838 20 0 CFADRP CO[C@@](C)(C[NH2+]CCC[NH+]1CCC(C)CC1)C1CC1 ZINC000638306586 384547074 /nfs/dbraw/zinc/54/70/74/384547074.db2.gz OLDOFVMVPNSGBR-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000643296016 384554791 /nfs/dbraw/zinc/55/47/91/384554791.db2.gz COBZVGVWMAXRLU-UHFFFAOYSA-N 2 0 273.424 2.533 20 0 CFADRP C[C@@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000638360142 384582159 /nfs/dbraw/zinc/58/21/59/384582159.db2.gz PSPOJRIYAHBQSI-KRWDZBQOSA-N 2 0 295.515 2.820 20 0 CFADRP CCOC1CC(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000638366007 384590937 /nfs/dbraw/zinc/59/09/37/384590937.db2.gz JPXZGMRTCNDEIH-KLAILNCOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](C[NH2+]CC1CCSCC1)N1CCC[C@@H](C)C1 ZINC000638364182 384589894 /nfs/dbraw/zinc/58/98/94/384589894.db2.gz WULFATYZZFIQBF-ZIAGYGMSSA-N 2 0 270.486 2.840 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000638390969 384615189 /nfs/dbraw/zinc/61/51/89/384615189.db2.gz NBFYCAFZTIQDKI-QQFBHYJXSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000638391735 384616629 /nfs/dbraw/zinc/61/66/29/384616629.db2.gz SOZFUHVIPWXKKE-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638411137 384631701 /nfs/dbraw/zinc/63/17/01/384631701.db2.gz LTWGUKVTEGKUFX-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccns2)C1 ZINC000638367702 384593300 /nfs/dbraw/zinc/59/33/00/384593300.db2.gz XKRLRJVDOLOPBF-CYBMUJFWSA-N 2 0 267.442 2.745 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638409622 384632044 /nfs/dbraw/zinc/63/20/44/384632044.db2.gz MQFXIXAODSAZDL-LVQVYYBASA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000643497901 384663478 /nfs/dbraw/zinc/66/34/78/384663478.db2.gz VPIRZWNNITVBLF-VIFPVBQESA-N 2 0 272.314 2.754 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000680969511 542392006 /nfs/dbraw/zinc/39/20/06/542392006.db2.gz JWWILQHWEVHTLF-VNQPRFMTSA-N 2 0 282.472 2.898 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(C)C ZINC000643456916 384637601 /nfs/dbraw/zinc/63/76/01/384637601.db2.gz VIBLNWSICVOUGP-RRFJBIMHSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000643457621 384639873 /nfs/dbraw/zinc/63/98/73/384639873.db2.gz RDTKZISOZAMMFH-DZGCQCFKSA-N 2 0 276.424 2.690 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000643457520 384640836 /nfs/dbraw/zinc/64/08/36/384640836.db2.gz IKZOWHHPWBEGQH-CHWSQXEVSA-N 2 0 264.413 2.688 20 0 CFADRP Cc1csc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000643460713 384641996 /nfs/dbraw/zinc/64/19/96/384641996.db2.gz JFDYIPOWXRTOKU-UKRRQHHQSA-N 2 0 289.448 2.542 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643462013 384642730 /nfs/dbraw/zinc/64/27/30/384642730.db2.gz RAMAIYUZPRQGQH-WCVJEAGWSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643462012 384642751 /nfs/dbraw/zinc/64/27/51/384642751.db2.gz RAMAIYUZPRQGQH-UGUYLWEFSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)OC ZINC000638427210 384646128 /nfs/dbraw/zinc/64/61/28/384646128.db2.gz UTNLMXJMWYPHSB-CZUORRHYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000643467783 384648740 /nfs/dbraw/zinc/64/87/40/384648740.db2.gz IVRHDLHSACIXTI-NWDGAFQWSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643474471 384652460 /nfs/dbraw/zinc/65/24/60/384652460.db2.gz SPJFHNFWXSTSIK-XEKGUZQTSA-N 2 0 296.414 2.885 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643474470 384652956 /nfs/dbraw/zinc/65/29/56/384652956.db2.gz SPJFHNFWXSTSIK-RPTUDFQQSA-N 2 0 296.414 2.885 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643478105 384655090 /nfs/dbraw/zinc/65/50/90/384655090.db2.gz ZVQUNYFNRJJCRL-RRQGHBQHSA-N 2 0 258.409 2.509 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638440152 384657186 /nfs/dbraw/zinc/65/71/86/384657186.db2.gz ZVWFEOADBDYHTK-ZIAGYGMSSA-N 2 0 282.472 2.636 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000643488908 384659638 /nfs/dbraw/zinc/65/96/38/384659638.db2.gz LHKDMHLVHSENQL-GJZGRUSLSA-N 2 0 273.424 2.610 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000643493732 384661021 /nfs/dbraw/zinc/66/10/21/384661021.db2.gz GFWRFLZYNIZXQI-DAYGRLMNSA-N 2 0 290.451 2.994 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000268787624 384661452 /nfs/dbraw/zinc/66/14/52/384661452.db2.gz FHXYXHVWZHDIID-LSDHHAIUSA-N 2 0 288.435 2.799 20 0 CFADRP Cc1cc2c(cc1C)[C@H](NCC[NH2+]C1CC1)CCCO2 ZINC000643507142 384676048 /nfs/dbraw/zinc/67/60/48/384676048.db2.gz UFZSGGOLXAGPEW-MRXNPFEDSA-N 2 0 274.408 2.859 20 0 CFADRP C[C@@H](CCCCO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000643543796 384723077 /nfs/dbraw/zinc/72/30/77/384723077.db2.gz WPWOATLZWIPLHA-HOCLYGCPSA-N 2 0 264.413 2.607 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C2 ZINC000643545375 384723962 /nfs/dbraw/zinc/72/39/62/384723962.db2.gz GNNJBAVFNDGYLQ-DLBZAZTESA-N 2 0 258.409 2.666 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C2 ZINC000643509423 384680013 /nfs/dbraw/zinc/68/00/13/384680013.db2.gz UEAGDXXQOASJNY-RHSMWYFYSA-N 2 0 258.409 2.523 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508410 384680702 /nfs/dbraw/zinc/68/07/02/384680702.db2.gz FTMIMCQUGZLTLU-HOCLYGCPSA-N 2 0 264.413 2.740 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000643518723 384684739 /nfs/dbraw/zinc/68/47/39/384684739.db2.gz RGPHGHBPVCTGFG-CJNGLKHVSA-N 2 0 261.413 2.739 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCc3ccccc3C2)CCC[NH2+]C1 ZINC000643518733 384685159 /nfs/dbraw/zinc/68/51/59/384685159.db2.gz XLJDNUABQZIABI-MSOLQXFVSA-N 2 0 272.436 2.913 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000268894822 384686324 /nfs/dbraw/zinc/68/63/24/384686324.db2.gz ANYYDOGUMFTFIC-QWHCGFSZSA-N 2 0 299.846 2.742 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521365 384686737 /nfs/dbraw/zinc/68/67/37/384686737.db2.gz AWAHSVNIVWHDNP-GOEBONIOSA-N 2 0 292.423 2.505 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522024 384688474 /nfs/dbraw/zinc/68/84/74/384688474.db2.gz GOZDBEVQBHDWJD-OLZOCXBDSA-N 2 0 252.427 2.801 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H](C)C2 ZINC000643522588 384688548 /nfs/dbraw/zinc/68/85/48/384688548.db2.gz PQVUOSIABFJZJQ-YSVLISHTSA-N 2 0 258.409 2.960 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000268902893 384689044 /nfs/dbraw/zinc/68/90/44/384689044.db2.gz MRZWXGBWOCJCAZ-UONOGXRCSA-N 2 0 264.413 2.651 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccccc1 ZINC000268914049 384691436 /nfs/dbraw/zinc/69/14/36/384691436.db2.gz IHWMSGIHZHHCQH-ZFWWWQNUSA-N 2 0 264.438 2.775 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000643524101 384691810 /nfs/dbraw/zinc/69/18/10/384691810.db2.gz IYPLKWIBSIRCOL-QJPTWQEYSA-N 2 0 292.452 2.864 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000643523059 384692204 /nfs/dbraw/zinc/69/22/04/384692204.db2.gz VXLCLXVXCMEJMI-ZFWWWQNUSA-N 2 0 276.428 2.791 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)nc21 ZINC000268920803 384694163 /nfs/dbraw/zinc/69/41/63/384694163.db2.gz KDFRDKNWXHYMLO-KBPBESRZSA-N 2 0 287.407 2.751 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](C)[NH3+] ZINC000643527629 384699062 /nfs/dbraw/zinc/69/90/62/384699062.db2.gz PMTYTZXDEUTCSV-TZMCWYRMSA-N 2 0 252.427 2.740 20 0 CFADRP C[C@H]([NH3+])C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000643529353 384704242 /nfs/dbraw/zinc/70/42/42/384704242.db2.gz YVQDSYWQXGHGNH-HNNXBMFYSA-N 2 0 268.404 2.777 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2ccnc2)cc1 ZINC000643534204 384705625 /nfs/dbraw/zinc/70/56/25/384705625.db2.gz OIIXXZQHHHFSCY-RHSMWYFYSA-N 2 0 296.418 2.665 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000643533331 384705849 /nfs/dbraw/zinc/70/58/49/384705849.db2.gz ITTWRKRUBGCXEO-WDEREUQCSA-N 2 0 277.368 2.702 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)COC2 ZINC000643533658 384705927 /nfs/dbraw/zinc/70/59/27/384705927.db2.gz AOAFKZIBNXPOFU-LRDDRELGSA-N 2 0 272.392 2.510 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534569 384706939 /nfs/dbraw/zinc/70/69/39/384706939.db2.gz YBWQIYAWUXYJFY-JSGCOSHPSA-N 2 0 262.422 2.857 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534540 384707221 /nfs/dbraw/zinc/70/72/21/384707221.db2.gz XJAYGHGSYCRHPN-NHYWBVRUSA-N 2 0 278.371 2.627 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534675 384707474 /nfs/dbraw/zinc/70/74/74/384707474.db2.gz ZYIFILHOFVHCED-HUUCEWRRSA-N 2 0 260.356 2.545 20 0 CFADRP c1ccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccn2)cc1 ZINC000643534827 384707493 /nfs/dbraw/zinc/70/74/93/384707493.db2.gz DJEGKJUGXTZWSX-ROUUACIJSA-N 2 0 293.414 2.903 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1nc2c(s1)CCCC2 ZINC000643534998 384707777 /nfs/dbraw/zinc/70/77/77/384707777.db2.gz HFNQCQROHXLACU-SMDDNHRTSA-N 2 0 291.464 2.815 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534642 384707927 /nfs/dbraw/zinc/70/79/27/384707927.db2.gz ZEMPUJSPGGJXEJ-LSDHHAIUSA-N 2 0 260.356 2.545 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535862 384709410 /nfs/dbraw/zinc/70/94/10/384709410.db2.gz PNBOAOQFIUSKIW-HZPDHXFCSA-N 2 0 271.408 2.665 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000643536660 384711259 /nfs/dbraw/zinc/71/12/59/384711259.db2.gz UIEJQLJGMCWVLO-OLZOCXBDSA-N 2 0 250.411 2.931 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1N(C)C ZINC000643536026 384711275 /nfs/dbraw/zinc/71/12/75/384711275.db2.gz QMERFMZCCQDQAS-LRDDRELGSA-N 2 0 291.414 2.684 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536453 384711854 /nfs/dbraw/zinc/71/18/54/384711854.db2.gz RCNCCNOYANWTSO-HOCLYGCPSA-N 2 0 272.392 2.501 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536980 384713659 /nfs/dbraw/zinc/71/36/59/384713659.db2.gz XSIPDKMBNQUNQK-HOCLYGCPSA-N 2 0 272.392 2.632 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)C1 ZINC000279672065 384718441 /nfs/dbraw/zinc/71/84/41/384718441.db2.gz FXJHIKOUMUQHHL-UXLLHSPISA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000643543784 384722046 /nfs/dbraw/zinc/72/20/46/384722046.db2.gz VTKOCWSGZDHVES-QAPCUYQASA-N 3 0 289.467 2.787 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000643542817 384722334 /nfs/dbraw/zinc/72/23/34/384722334.db2.gz FRITUEYWOKAQIY-KBRIMQKVSA-N 2 0 258.409 2.651 20 0 CFADRP CCOC1CC(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000638602775 384774703 /nfs/dbraw/zinc/77/47/03/384774703.db2.gz FLPNAXXSQNJITK-YMAMQOFZSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2)C1 ZINC000269136343 384729777 /nfs/dbraw/zinc/72/97/77/384729777.db2.gz RPYSPRDRIRUPMI-HOCLYGCPSA-N 2 0 262.372 2.742 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000279741929 384743207 /nfs/dbraw/zinc/74/32/07/384743207.db2.gz PBFZBOXXLCGJNC-LZWOXQAQSA-N 2 0 264.413 2.692 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC000638566515 384745329 /nfs/dbraw/zinc/74/53/29/384745329.db2.gz KUHFJVOGKLCMMS-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638566157 384746838 /nfs/dbraw/zinc/74/68/38/384746838.db2.gz CAOORJVFHDASPS-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000638566692 384746918 /nfs/dbraw/zinc/74/69/18/384746918.db2.gz NEBKTAWGSPNHRH-HNNXBMFYSA-N 2 0 270.486 2.840 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]CCC[C@H]2CCO2)ccc1F ZINC000638634252 384798360 /nfs/dbraw/zinc/79/83/60/384798360.db2.gz KIQXAJSJBGHESW-HNNXBMFYSA-N 2 0 280.387 2.546 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)C(C)C ZINC000638732892 384876652 /nfs/dbraw/zinc/87/66/52/384876652.db2.gz FRJCCBWDROZLMV-JKSUJKDBSA-N 2 0 297.487 2.532 20 0 CFADRP CCCC1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCC1 ZINC000638749437 384886173 /nfs/dbraw/zinc/88/61/73/384886173.db2.gz OZFVLVIGROOQSZ-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000337506597 285146277 /nfs/dbraw/zinc/14/62/77/285146277.db2.gz FYUGPCVDGKKYRR-IKGGRYGDSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423079778 533097311 /nfs/dbraw/zinc/09/73/11/533097311.db2.gz AVHQFPFJIJLLBN-GYSYKLTISA-N 2 0 270.804 2.743 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000280139562 384902199 /nfs/dbraw/zinc/90/21/99/384902199.db2.gz CWKIYHOEODZWCM-JKSUJKDBSA-N 2 0 276.399 2.975 20 0 CFADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269934928 384911395 /nfs/dbraw/zinc/91/13/95/384911395.db2.gz DUSFRPMKAVWHJJ-CVEARBPZSA-N 2 0 298.434 2.643 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638787741 384918761 /nfs/dbraw/zinc/91/87/61/384918761.db2.gz AKIZFAYUUCMVGC-KRWDZBQOSA-N 2 0 282.472 2.761 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000269956425 384919244 /nfs/dbraw/zinc/91/92/44/384919244.db2.gz KIIHLOHNIBQAMZ-ZWKOTPCHSA-N 2 0 295.430 2.994 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000644550904 384927703 /nfs/dbraw/zinc/92/77/03/384927703.db2.gz OAGZCMISVHQETA-CHWSQXEVSA-N 2 0 254.443 2.857 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CC2(O)CCCC2)CC1 ZINC000644585250 384945834 /nfs/dbraw/zinc/94/58/34/384945834.db2.gz GFVHPPZVUISQEZ-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC1(F)F ZINC000638836947 384968481 /nfs/dbraw/zinc/96/84/81/384968481.db2.gz MQJCWPYXMSKZKP-DOMZBBRYSA-N 2 0 295.377 2.931 20 0 CFADRP c1ccc(N2CC[C@@H](C[NH2+]CCC[NH+]3CCCC3)C2)cc1 ZINC000638849525 384984721 /nfs/dbraw/zinc/98/47/21/384984721.db2.gz VWQAUVKLGBLDKK-KRWDZBQOSA-N 2 0 287.451 2.588 20 0 CFADRP CC[C@@](C)(C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638851387 384986686 /nfs/dbraw/zinc/98/66/86/384986686.db2.gz JQCPSDYXOZEKCY-INIZCTEOSA-N 2 0 264.413 2.653 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCC[N@@H+](C)C(C)C ZINC000289247289 197275241 /nfs/dbraw/zinc/27/52/41/197275241.db2.gz LPJQTGOXMBFSEG-UHFFFAOYSA-N 2 0 263.429 2.643 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638865224 384998516 /nfs/dbraw/zinc/99/85/16/384998516.db2.gz UHXZDSURQAXSKL-HRCADAONSA-N 2 0 297.487 2.534 20 0 CFADRP CN1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)[C@H]1c1ccccc1 ZINC000638830721 384961901 /nfs/dbraw/zinc/96/19/01/384961901.db2.gz GGZFHZDKYANATE-OPQOLIRYSA-N 2 0 296.418 2.622 20 0 CFADRP Cc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC000280496231 385035629 /nfs/dbraw/zinc/03/56/29/385035629.db2.gz QNUISORCTZHDHE-CALCHBBNSA-N 2 0 297.402 2.547 20 0 CFADRP CCC[C@@H](C[NH2+]CC1(C[NH+](C)C)CCCC1)OC ZINC000639046220 385122178 /nfs/dbraw/zinc/12/21/78/385122178.db2.gz KAVPXDVTPAPFQX-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000644920463 385130730 /nfs/dbraw/zinc/13/07/30/385130730.db2.gz QGVXTSBJPQDORG-GOSISDBHSA-N 2 0 294.483 2.999 20 0 CFADRP Cn1c2cc(F)ccc2nc1N1CCC[C@H](n2ccnc2)C1 ZINC000644862303 385106604 /nfs/dbraw/zinc/10/66/04/385106604.db2.gz ZTINYOPQPWHHMD-ZDUSSCGKSA-N 2 0 299.353 2.750 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3C=CCCCCC3)CC2)C1 ZINC000645095012 385182738 /nfs/dbraw/zinc/18/27/38/385182738.db2.gz KEZAHEBAGUHGDU-ROUUACIJSA-N 2 0 291.483 2.587 20 0 CFADRP CC[C@@H](C)[C@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639082038 385161290 /nfs/dbraw/zinc/16/12/90/385161290.db2.gz NUVGBIXWUOUHCZ-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000639089562 385171994 /nfs/dbraw/zinc/17/19/94/385171994.db2.gz HHXZWRJEESIPKP-HNNXBMFYSA-N 2 0 282.472 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2cccs2)[C@@H](C)C1 ZINC000270636667 385172999 /nfs/dbraw/zinc/17/29/99/385172999.db2.gz NLWKCXATKRRYOF-LJISPDSOSA-N 2 0 296.480 2.880 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(CC(F)(F)F)cc3)C[C@@H]2C1 ZINC000639112902 385207940 /nfs/dbraw/zinc/20/79/40/385207940.db2.gz HXTWMXMWAVAOPU-GASCZTMLSA-N 2 0 298.352 2.785 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)OC ZINC000639124961 385224546 /nfs/dbraw/zinc/22/45/46/385224546.db2.gz OBDKMIBAXRIRAT-SLTXQBBLSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1 ZINC000414118888 533109153 /nfs/dbraw/zinc/10/91/53/533109153.db2.gz BWWADQGENQNYSN-GXTWGEPZSA-N 2 0 264.413 2.852 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282457944 385315422 /nfs/dbraw/zinc/31/54/22/385315422.db2.gz VKBZZHNEVQYKRC-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP Cc1nccn1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000270886481 385258553 /nfs/dbraw/zinc/25/85/53/385258553.db2.gz OFQZWRFSSNPOCF-HNNXBMFYSA-N 2 0 273.355 2.820 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000282303926 385279335 /nfs/dbraw/zinc/27/93/35/385279335.db2.gz MOIDUCNHKIGANF-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP c1cc2cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000282338781 385287053 /nfs/dbraw/zinc/28/70/53/385287053.db2.gz OQWCLCKSWWUOJS-SJORKVTESA-N 2 0 283.419 2.927 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000639210142 385332465 /nfs/dbraw/zinc/33/24/65/385332465.db2.gz IMEUIQLTZRVBGG-STQMWFEESA-N 2 0 260.372 2.886 20 0 CFADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)sn1 ZINC000639211860 385336088 /nfs/dbraw/zinc/33/60/88/385336088.db2.gz ZBFXCEDCOWIZKY-UHFFFAOYSA-N 2 0 283.441 2.507 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000639244962 385374403 /nfs/dbraw/zinc/37/44/03/385374403.db2.gz RLQRLLLGZPWZSS-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4ncccc34)C2)C1 ZINC000639203964 385324754 /nfs/dbraw/zinc/32/47/54/385324754.db2.gz NSGNXMNUPBNDLT-SFHVURJKSA-N 2 0 281.403 2.762 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000271818880 385393991 /nfs/dbraw/zinc/39/39/91/385393991.db2.gz BXCVDTSHVHWIGU-CQSZACIVSA-N 2 0 262.422 2.977 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000282828101 385395658 /nfs/dbraw/zinc/39/56/58/385395658.db2.gz SCLZSIXXLKYFPS-HZPDHXFCSA-N 2 0 283.419 2.927 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286825 385414166 /nfs/dbraw/zinc/41/41/66/385414166.db2.gz UMBXOQNOAMDCOK-FGTMMUONSA-N 2 0 290.451 2.737 20 0 CFADRP CC[C@](C)(C[NH2+][C@@H]1CCN(C2CCCCC2)C1)OC ZINC000639322976 385449348 /nfs/dbraw/zinc/44/93/48/385449348.db2.gz YAGSLDMUKNBLSI-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP CCc1ccc(C)[nH+]c1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000639307201 385433881 /nfs/dbraw/zinc/43/38/81/385433881.db2.gz QHPDVTSDQWDNFA-UHFFFAOYSA-N 2 0 291.439 2.600 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H]2CCN2C2CCCCC2)C1 ZINC000639346322 385470020 /nfs/dbraw/zinc/47/00/20/385470020.db2.gz SGEQBEMVSVINLV-ARWYELJZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000121324103 412998841 /nfs/dbraw/zinc/99/88/41/412998841.db2.gz RNDWFRQCPZAYBJ-QAETUUGQSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1cn[nH]c1 ZINC000283690417 385488826 /nfs/dbraw/zinc/48/88/26/385488826.db2.gz ACYDNTHUZLFLDX-PBHICJAKSA-N 2 0 284.407 2.725 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)sn1 ZINC000639334654 385460262 /nfs/dbraw/zinc/46/02/62/385460262.db2.gz IJDSDPULQLINMH-UHFFFAOYSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CC1(F)F ZINC000639335052 385461112 /nfs/dbraw/zinc/46/11/12/385461112.db2.gz LYLDFOJSIMXYCK-RISCZKNCSA-N 2 0 272.383 2.742 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000639338054 385463828 /nfs/dbraw/zinc/46/38/28/385463828.db2.gz RVTHEHLFWZGRJU-YUELXQCFSA-N 2 0 268.470 2.592 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000639374092 385491273 /nfs/dbraw/zinc/49/12/73/385491273.db2.gz ALUGGVHQJPEOQN-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H](CC(C)C)OC)CC1 ZINC000639378354 385495433 /nfs/dbraw/zinc/49/54/33/385495433.db2.gz PADZXWXMHUROTQ-HNNXBMFYSA-N 2 0 270.461 2.854 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CCCC[C@H]1O ZINC000272447806 385539569 /nfs/dbraw/zinc/53/95/69/385539569.db2.gz BXOLWDKRSPLIKV-SJLPKXTDSA-N 2 0 299.418 2.855 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121687248 413002573 /nfs/dbraw/zinc/00/25/73/413002573.db2.gz AXKXUEXYNNWJSF-ULQDDVLXSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000272608165 385575019 /nfs/dbraw/zinc/57/50/19/385575019.db2.gz UCDVQBLJNRPSKH-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP c1nc(C2CC[NH+](Cc3cccc4c3CCOC4)CC2)c[nH]1 ZINC000639537900 385575446 /nfs/dbraw/zinc/57/54/46/385575446.db2.gz BZORGPMVRGYFOM-UHFFFAOYSA-N 2 0 297.402 2.862 20 0 CFADRP C[C@H]([NH2+]CC1(C)COC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272505794 385555407 /nfs/dbraw/zinc/55/54/07/385555407.db2.gz OFKBKLVUUVURQM-RDJZCZTQSA-N 2 0 288.435 2.523 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CC[C@@H]1[NH3+] ZINC000122392419 413005278 /nfs/dbraw/zinc/00/52/78/413005278.db2.gz ILOUTSGZVSXBPJ-GJZGRUSLSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000423280391 533132324 /nfs/dbraw/zinc/13/23/24/533132324.db2.gz UBLVTSQLEOQWIX-CVEARBPZSA-N 2 0 264.413 2.965 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639554646 385581738 /nfs/dbraw/zinc/58/17/38/385581738.db2.gz LQISSBFADROKBR-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H]1CN(Cc2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000122256357 413004720 /nfs/dbraw/zinc/00/47/20/413004720.db2.gz GREGLCURIZIRKK-FZMZJTMJSA-N 2 0 254.324 2.524 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc([S@](C)=O)cc1 ZINC000272933463 385658319 /nfs/dbraw/zinc/65/83/19/385658319.db2.gz KEYLMBBPVPDBKU-KPHUOKFYSA-N 2 0 294.464 2.559 20 0 CFADRP C1=CCC(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684121 385659107 /nfs/dbraw/zinc/65/91/07/385659107.db2.gz FKBJBOOLDFVZHQ-UHFFFAOYSA-N 2 0 257.381 2.560 20 0 CFADRP CC1(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000639683664 385659561 /nfs/dbraw/zinc/65/95/61/385659561.db2.gz KZDOQIKCYXNXKS-UHFFFAOYSA-N 2 0 259.397 2.784 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)n1 ZINC000639757552 385697496 /nfs/dbraw/zinc/69/74/96/385697496.db2.gz LZJZMEQVZDSFFF-UHFFFAOYSA-N 2 0 287.451 2.925 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCc3ccccc3F)C2)CC1 ZINC000639755877 385697775 /nfs/dbraw/zinc/69/77/75/385697775.db2.gz PXDNPMNQMUILSG-UHFFFAOYSA-N 2 0 276.399 2.786 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)CC1 ZINC000639756244 385697965 /nfs/dbraw/zinc/69/79/65/385697965.db2.gz SJXHGHKPAVRYIF-MRXNPFEDSA-N 2 0 292.467 2.896 20 0 CFADRP Cc1cccc2c(NC[C@H]3C[N@@H+](C)CCN3C)c(C)c[nH+]c12 ZINC000274191397 385737192 /nfs/dbraw/zinc/73/71/92/385737192.db2.gz QTZUZSHLKQQRFC-HNNXBMFYSA-N 2 0 298.434 2.509 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000359620643 285218348 /nfs/dbraw/zinc/21/83/48/285218348.db2.gz RARHFCLYHQGTBS-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(C)c1OC ZINC000423520490 533174337 /nfs/dbraw/zinc/17/43/37/533174337.db2.gz WHJNGHOHFMUWNR-MELADBBJSA-N 2 0 292.423 2.790 20 0 CFADRP FC(F)(F)C1CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000681081341 542408332 /nfs/dbraw/zinc/40/83/32/542408332.db2.gz ARKGTEHJOYXGSC-UNTZMWQOSA-N 2 0 276.346 2.506 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000681366361 542444669 /nfs/dbraw/zinc/44/46/69/542444669.db2.gz QLSMMUBCSYIXGR-DLBZAZTESA-N 2 0 293.499 2.594 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129072126 413027255 /nfs/dbraw/zinc/02/72/55/413027255.db2.gz QTBORVVDGBIIBB-DZGCQCFKSA-N 2 0 262.397 2.878 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)C1 ZINC000281331381 195200056 /nfs/dbraw/zinc/20/00/56/195200056.db2.gz UAIXVRYIVXPFKA-MLGOLLRUSA-N 2 0 292.398 2.753 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000129172238 413027977 /nfs/dbraw/zinc/02/79/77/413027977.db2.gz HEMXGYRZRAUPLN-JQWIXIFHSA-N 2 0 253.415 2.553 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000423522098 533222481 /nfs/dbraw/zinc/22/24/81/533222481.db2.gz XINXOUBRARPQFS-HOSYDEDBSA-N 2 0 283.803 2.522 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682131930 542524275 /nfs/dbraw/zinc/52/42/75/542524275.db2.gz MWNQKIBYUZVTHH-CJNGLKHVSA-N 2 0 262.397 2.515 20 0 CFADRP Oc1cccc2c(N3CC[C@@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000682239952 542537137 /nfs/dbraw/zinc/53/71/37/542537137.db2.gz OISWCBCHOIEDDR-CYBMUJFWSA-N 2 0 283.375 2.615 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000173644375 285340644 /nfs/dbraw/zinc/34/06/44/285340644.db2.gz KCQNCYUPIDGOBN-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422699971 285356044 /nfs/dbraw/zinc/35/60/44/285356044.db2.gz FQANUCJVMAZBMM-BSDSXHPESA-N 2 0 294.483 2.828 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281582201 195296044 /nfs/dbraw/zinc/29/60/44/195296044.db2.gz LCIZXBDXNVWOLF-INIZCTEOSA-N 2 0 291.414 2.993 20 0 CFADRP Cn1cc(-c2ccc(C[NH2+]CCCC[NH+](C)C)s2)cn1 ZINC000282383656 195593259 /nfs/dbraw/zinc/59/32/59/195593259.db2.gz ZEALDVBORPFQMK-UHFFFAOYSA-N 2 0 292.452 2.580 20 0 CFADRP Oc1ccc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420317149 285384200 /nfs/dbraw/zinc/38/42/00/285384200.db2.gz NJQGBTGIVNKMIH-OAHLLOKOSA-N 2 0 288.435 2.961 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423547961 285389924 /nfs/dbraw/zinc/38/99/24/285389924.db2.gz QQVHRVPUEIDAMG-BASYENTBSA-N 2 0 286.419 2.747 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(C)C)OC)C[C@H]1C ZINC000419215129 285397145 /nfs/dbraw/zinc/39/71/45/285397145.db2.gz LKLXIUSADJFDGV-PMPSAXMXSA-N 2 0 270.461 2.852 20 0 CFADRP C[C@@H]([NH2+]CCCSc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422757449 533387436 /nfs/dbraw/zinc/38/74/36/533387436.db2.gz MUMWHPFSEMOMJR-UKRRQHHQSA-N 2 0 264.438 2.899 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1OCCc2sccc21 ZINC000423131014 533341496 /nfs/dbraw/zinc/34/14/96/533341496.db2.gz NFZMMZPUHGCHJQ-RSPBSDFRSA-N 2 0 292.448 2.623 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422911581 533352060 /nfs/dbraw/zinc/35/20/60/533352060.db2.gz LBWFZZFDHVDZQV-ZBFHGGJFSA-N 2 0 260.425 2.985 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H](C)CCC[NH3+])cc2c1 ZINC000415015966 533355731 /nfs/dbraw/zinc/35/57/31/533355731.db2.gz BQFKQMHFVHENES-NSHDSACASA-N 2 0 262.353 2.658 20 0 CFADRP COc1ccc2oc([C@H](C)[NH2+]CCC[NH3+])c(C)c2c1 ZINC000423197035 533358996 /nfs/dbraw/zinc/35/89/96/533358996.db2.gz XNMBGLFRIAPROS-NSHDSACASA-N 2 0 262.353 2.749 20 0 CFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414110345 533362478 /nfs/dbraw/zinc/36/24/78/533362478.db2.gz LOKHWHUMJKTBKH-ZACQAIPSSA-N 2 0 293.499 2.571 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422865605 533365049 /nfs/dbraw/zinc/36/50/49/533365049.db2.gz YTJNFZJCGJKTDG-OLZOCXBDSA-N 2 0 294.439 2.697 20 0 CFADRP C[C@@H]([NH2+]CCCCOc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422935984 533378413 /nfs/dbraw/zinc/37/84/13/533378413.db2.gz LMFHFEYITSQEGL-GFCCVEGCSA-N 2 0 282.815 2.697 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422793690 533384867 /nfs/dbraw/zinc/38/48/67/533384867.db2.gz XMVXSARVQWHZHC-HOCLYGCPSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000414860456 533445670 /nfs/dbraw/zinc/44/56/70/533445670.db2.gz VNQXRTMCLQCPFT-NXEZZACHSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414851976 533447665 /nfs/dbraw/zinc/44/76/65/533447665.db2.gz JTLKKDCLZGGXBJ-DGCLKSJQSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccnc1 ZINC000423294326 533448438 /nfs/dbraw/zinc/44/84/38/533448438.db2.gz UBMRJOLPRYYXGR-QWHCGFSZSA-N 2 0 255.365 2.952 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000414861962 533451990 /nfs/dbraw/zinc/45/19/90/533451990.db2.gz XBHASABKTSSMBU-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422811945 533452987 /nfs/dbraw/zinc/45/29/87/533452987.db2.gz VLRCZXMTCNXMLD-CRAIPNDOSA-N 2 0 287.451 2.513 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1C(C)(C)C ZINC000423208342 533394736 /nfs/dbraw/zinc/39/47/36/533394736.db2.gz SYLVUWREYXBDLG-OAHLLOKOSA-N 2 0 289.467 2.540 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423247628 533404312 /nfs/dbraw/zinc/40/43/12/533404312.db2.gz LMORAGNEFPZLNJ-ZIAGYGMSSA-N 2 0 276.428 2.648 20 0 CFADRP COc1c(C)cnc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414718123 533410268 /nfs/dbraw/zinc/41/02/68/533410268.db2.gz VKALWPXBVAZYMS-HIFRSBDPSA-N 2 0 291.439 2.527 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000414858373 533456761 /nfs/dbraw/zinc/45/67/61/533456761.db2.gz RQPOWDTWOZNLAQ-YPMHNXCESA-N 2 0 284.350 2.766 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423344299 533424733 /nfs/dbraw/zinc/42/47/33/533424733.db2.gz XOUMMYGRSJRVLK-DOMZBBRYSA-N 2 0 250.361 2.866 20 0 CFADRP COc1cccc(CCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422938277 533457705 /nfs/dbraw/zinc/45/77/05/533457705.db2.gz DMQMVHUBSKQTOU-PBHICJAKSA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422936436 533457849 /nfs/dbraw/zinc/45/78/49/533457849.db2.gz BPQLKAGPYLGABZ-NVXWUHKLSA-N 2 0 276.424 2.735 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(F)c1 ZINC000423321090 533438957 /nfs/dbraw/zinc/43/89/57/533438957.db2.gz GCKHISCSCMUTLB-IUODEOHRSA-N 2 0 250.361 2.866 20 0 CFADRP COc1ccc(CCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422728531 533476687 /nfs/dbraw/zinc/47/66/87/533476687.db2.gz AFGVNRZPLQDOLV-RHSMWYFYSA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414777964 533479777 /nfs/dbraw/zinc/47/97/77/533479777.db2.gz ISBDLQYIVUOWJU-HOTGVXAUSA-N 2 0 274.408 2.517 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000422735063 533504252 /nfs/dbraw/zinc/50/42/52/533504252.db2.gz UKRVQHYVTSZHHG-OUCADQQQSA-N 2 0 250.361 2.864 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414916813 533508505 /nfs/dbraw/zinc/50/85/05/533508505.db2.gz QNBSDDTYJHHUFE-CRAIPNDOSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414886189 533580068 /nfs/dbraw/zinc/58/00/68/533580068.db2.gz CMXQQNYPQHACGK-AWEZNQCLSA-N 2 0 284.407 2.676 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414874974 533580404 /nfs/dbraw/zinc/58/04/04/533580404.db2.gz BMMMRKGFYVTUDA-ZDUSSCGKSA-N 2 0 255.365 2.576 20 0 CFADRP COc1ccc(C[NH+]2CCCCC2)cc1C1=CC[NH2+]C1 ZINC001243111678 781994253 /nfs/dbraw/zinc/99/42/53/781994253.db2.gz MMHPDPUUBQIVHP-UHFFFAOYSA-N 2 0 272.392 2.668 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cc(F)ccc1F ZINC000422834612 533538060 /nfs/dbraw/zinc/53/80/60/533538060.db2.gz ZVJQCVJVCXNTPO-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422769686 533538314 /nfs/dbraw/zinc/53/83/14/533538314.db2.gz WATSXOBYHXRHIZ-LBPRGKRZSA-N 2 0 277.387 2.957 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422832217 533538588 /nfs/dbraw/zinc/53/85/88/533538588.db2.gz KTXRKKNRVIOFLZ-JKSUJKDBSA-N 2 0 275.440 2.620 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)n1 ZINC000414803975 533538730 /nfs/dbraw/zinc/53/87/30/533538730.db2.gz DLKQXFFJEXSIKO-KGLIPLIRSA-N 2 0 299.418 2.831 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414672679 533539198 /nfs/dbraw/zinc/53/91/98/533539198.db2.gz BFFATNBKRZIAON-ZIAGYGMSSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422793542 533553469 /nfs/dbraw/zinc/55/34/69/533553469.db2.gz SIUVBPJWBCXKDA-STQMWFEESA-N 2 0 252.427 2.884 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422803129 533553790 /nfs/dbraw/zinc/55/37/90/533553790.db2.gz FMYPOPMWAJSZOM-ZDUSSCGKSA-N 2 0 286.423 2.518 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000415026024 533554721 /nfs/dbraw/zinc/55/47/21/533554721.db2.gz SMEGRYJVWCZXIP-HNNXBMFYSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422950857 533554958 /nfs/dbraw/zinc/55/49/58/533554958.db2.gz WSUWHPYUXRXNHT-AWEZNQCLSA-N 2 0 298.434 2.578 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CCC([NH3+])CC1 ZINC000415115877 533568225 /nfs/dbraw/zinc/56/82/25/533568225.db2.gz VDYCNALPNWQNIF-JEYLPNPQSA-N 2 0 261.413 2.652 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414854888 533662555 /nfs/dbraw/zinc/66/25/55/533662555.db2.gz VHTIHAQEVQTJRV-GFCCVEGCSA-N 2 0 282.815 2.828 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342099536 130260386 /nfs/dbraw/zinc/26/03/86/130260386.db2.gz JTIVUKWZMCCLBU-ULQDDVLXSA-N 2 0 288.435 2.823 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCOC[C@@H]1C ZINC000683018333 542628591 /nfs/dbraw/zinc/62/85/91/542628591.db2.gz QVFVAKAIOHIQDL-HNNXBMFYSA-N 2 0 285.391 2.792 20 0 CFADRP Cc1ccnc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000683017800 542628796 /nfs/dbraw/zinc/62/87/96/542628796.db2.gz QVYSFQDCZHHVEV-GDBMZVCRSA-N 2 0 270.380 2.670 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000355644894 130327762 /nfs/dbraw/zinc/32/77/62/130327762.db2.gz BWHWTKSKPHWHJK-OAHLLOKOSA-N 2 0 287.407 2.569 20 0 CFADRP CC[C@@]1([NH2+]Cc2ccc(-n3ccnc3)cc2C)CCOC1 ZINC000683041818 542634025 /nfs/dbraw/zinc/63/40/25/542634025.db2.gz FNXGTTQWZPXZRD-QGZVFWFLSA-N 2 0 285.391 2.839 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423365780 285458316 /nfs/dbraw/zinc/45/83/16/285458316.db2.gz PUBBPQBOLCYSMC-YPMHNXCESA-N 2 0 250.411 2.857 20 0 CFADRP c1csc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359228777 130502489 /nfs/dbraw/zinc/50/24/89/130502489.db2.gz XXPDTULLNBXSCU-AWEZNQCLSA-N 2 0 279.453 2.712 20 0 CFADRP c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000261648711 285498684 /nfs/dbraw/zinc/49/86/84/285498684.db2.gz QCPSEWRRYVZERR-RCCFBDPRSA-N 2 0 270.420 2.664 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2c(F)cccc2F)CC1 ZINC000164678248 542709449 /nfs/dbraw/zinc/70/94/49/542709449.db2.gz XZXOLAZVFFVTMJ-UHFFFAOYSA-N 2 0 282.378 2.971 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423441495 285506547 /nfs/dbraw/zinc/50/65/47/285506547.db2.gz PEQPORWSFPVUNQ-YESZJQIVSA-N 2 0 256.393 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000268769223 132062790 /nfs/dbraw/zinc/06/27/90/132062790.db2.gz RXIUMTOEMMXHBL-BPUTZDHNSA-N 2 0 295.496 2.671 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439374 285518893 /nfs/dbraw/zinc/51/88/93/285518893.db2.gz NQJBMXJMXXKFQM-CGTJXYLNSA-N 2 0 285.435 2.911 20 0 CFADRP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374072252 393480934 /nfs/dbraw/zinc/48/09/34/393480934.db2.gz OEHRGPJAXMJWBF-AEFFLSMTSA-N 2 0 295.515 2.769 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000020093839 393485388 /nfs/dbraw/zinc/48/53/88/393485388.db2.gz JOCGXUHZIXPHEY-SFHVURJKSA-N 2 0 289.467 2.752 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305143927 393500328 /nfs/dbraw/zinc/50/03/28/393500328.db2.gz REITWMIWCFNMDQ-TWMKSMIVSA-N 2 0 282.472 2.638 20 0 CFADRP CSC1(C[NH2+]CCC[NH+]2CCCCC2)CCC1 ZINC000306056605 393505338 /nfs/dbraw/zinc/50/53/38/393505338.db2.gz VCXWZLMCFGBHBA-UHFFFAOYSA-N 2 0 256.459 2.738 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000183197807 393517372 /nfs/dbraw/zinc/51/73/72/393517372.db2.gz NVHCTJBWKXEICA-YHUYYLMFSA-N 2 0 280.456 2.654 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCOCC1 ZINC000311667897 393520164 /nfs/dbraw/zinc/52/01/64/393520164.db2.gz OWGJIBXHBWWMBJ-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000036907578 393525552 /nfs/dbraw/zinc/52/55/52/393525552.db2.gz SZRHRTPCNJLWLV-DVOMOZLQSA-N 2 0 264.388 2.687 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000314157124 393525937 /nfs/dbraw/zinc/52/59/37/393525937.db2.gz JJQYBECFIUGWSN-SJORKVTESA-N 2 0 288.435 2.614 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccncc1)C[NH+]1CCCCC1 ZINC000038041736 393537694 /nfs/dbraw/zinc/53/76/94/393537694.db2.gz WEPWXYWSGKHQES-GJZGRUSLSA-N 2 0 261.413 2.854 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379185909 393551435 /nfs/dbraw/zinc/55/14/35/393551435.db2.gz HMFJQMUCBSBBRM-OKZBNKHCSA-N 2 0 288.435 2.838 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000380889175 393558942 /nfs/dbraw/zinc/55/89/42/393558942.db2.gz LDQULOHMYWQGAA-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684378467 542796134 /nfs/dbraw/zinc/79/61/34/542796134.db2.gz WIYMKLFLICQVNE-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000684425448 542806721 /nfs/dbraw/zinc/80/67/21/542806721.db2.gz PXGQIPNBCCDKGE-LMPOIIKSSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000188554346 393565708 /nfs/dbraw/zinc/56/57/08/393565708.db2.gz JVIUSJXCMZVBFQ-PMPSAXMXSA-N 2 0 266.429 2.504 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000684405090 542801612 /nfs/dbraw/zinc/80/16/12/542801612.db2.gz LOBHRYUJCMPPFJ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684408729 542802755 /nfs/dbraw/zinc/80/27/55/542802755.db2.gz NKBYDETWKZXMBF-UHFFFAOYSA-N 2 0 276.424 2.715 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCS[C@@H]1C ZINC000383812328 393575526 /nfs/dbraw/zinc/57/55/26/393575526.db2.gz GGGJCQBONMKGOX-YIYPIFLZSA-N 2 0 256.459 2.781 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000401163069 393602753 /nfs/dbraw/zinc/60/27/53/393602753.db2.gz UEEKAGWNFGLBIX-UMVBOHGHSA-N 2 0 264.438 2.843 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000401740340 393604754 /nfs/dbraw/zinc/60/47/54/393604754.db2.gz IVUIGBFPNWHRPG-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825033 393608653 /nfs/dbraw/zinc/60/86/53/393608653.db2.gz CNZPEYURPPFIKG-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000401923691 393607368 /nfs/dbraw/zinc/60/73/68/393607368.db2.gz PQPVJYOQAFFKIN-UXLLHSPISA-N 2 0 276.424 2.664 20 0 CFADRP CCC[C@H](C[NH2+]C[C@H](C)C[NH+]1CCCCC1)OC ZINC000386428089 393586756 /nfs/dbraw/zinc/58/67/56/393586756.db2.gz LBVKFRLIYKUYIB-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000191818540 393607461 /nfs/dbraw/zinc/60/74/61/393607461.db2.gz FITARBYPMPZECA-UHFFFAOYSA-N 3 0 283.504 2.772 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc2ccccc2n1 ZINC000387319906 393590381 /nfs/dbraw/zinc/59/03/81/393590381.db2.gz MPYGIFXLHVCUBW-UHFFFAOYSA-N 2 0 286.423 2.840 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268439 393591623 /nfs/dbraw/zinc/59/16/23/393591623.db2.gz XAVUXGASNAYBBO-CYBMUJFWSA-N 2 0 278.444 2.765 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000191838922 393609026 /nfs/dbraw/zinc/60/90/26/393609026.db2.gz CKGMROOPIIVMEC-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)[C@@H]1CC[NH3+] ZINC000404328017 393616868 /nfs/dbraw/zinc/61/68/68/393616868.db2.gz NUDLSIDRQRECHK-JHJVBQTASA-N 2 0 260.372 2.871 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051692719 393617310 /nfs/dbraw/zinc/61/73/10/393617310.db2.gz RRMNABTZZXIUGX-QGLTVNCISA-N 2 0 275.396 2.566 20 0 CFADRP c1nc(CNCc2ccc(C[NH+]3CCCCC3)cc2)co1 ZINC000192281874 393620485 /nfs/dbraw/zinc/62/04/85/393620485.db2.gz FCSGSGJGMOTOND-UHFFFAOYSA-N 2 0 285.391 2.950 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC000334819605 393623604 /nfs/dbraw/zinc/62/36/04/393623604.db2.gz PSLMYRHQLGGSEY-QWHCGFSZSA-N 2 0 262.372 2.572 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192440910 393623744 /nfs/dbraw/zinc/62/37/44/393623744.db2.gz YIHLYPJCKJSGFP-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3cccc(F)c3C2)CC[NH2+]1 ZINC000334857839 393625653 /nfs/dbraw/zinc/62/56/53/393625653.db2.gz OWUSXWQGEKOOJY-STQMWFEESA-N 2 0 262.372 2.572 20 0 CFADRP C[N@H+](CCCOCC(F)(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000075860705 393682036 /nfs/dbraw/zinc/68/20/36/393682036.db2.gz RCSFHNXNZBZBGG-ZDUSSCGKSA-N 2 0 296.377 2.762 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000335523261 393674672 /nfs/dbraw/zinc/67/46/72/393674672.db2.gz YZDKKBIIUFQSEP-GOEBONIOSA-N 2 0 274.408 2.798 20 0 CFADRP CC(C)[C@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000081047440 393731238 /nfs/dbraw/zinc/73/12/38/393731238.db2.gz RETQYOLPMSXKNI-CQSZACIVSA-N 2 0 261.413 2.932 20 0 CFADRP Fc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000336409662 393733795 /nfs/dbraw/zinc/73/37/95/393733795.db2.gz IBUUHUZBHVRHOQ-XJKSGUPXSA-N 2 0 262.372 2.962 20 0 CFADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336828709 393750450 /nfs/dbraw/zinc/75/04/50/393750450.db2.gz CQFQVUBTICCXNG-YESZJQIVSA-N 2 0 282.472 2.590 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000085401321 393751633 /nfs/dbraw/zinc/75/16/33/393751633.db2.gz GYWRUKHPVUJDFS-HRCADAONSA-N 2 0 282.472 2.758 20 0 CFADRP Fc1ccccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000684570728 542828574 /nfs/dbraw/zinc/82/85/74/542828574.db2.gz METSJNXDUPNKHA-UHFFFAOYSA-N 2 0 285.366 2.933 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411244401 393689457 /nfs/dbraw/zinc/68/94/57/393689457.db2.gz ZSXCARKSOMEIOS-SFHVURJKSA-N 2 0 288.435 2.629 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000245887003 393833559 /nfs/dbraw/zinc/83/35/59/393833559.db2.gz PBHJWOVHLFYYLW-XHSDSOJGSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@H]1C[C@@H](Nc2cc[nH+]c3c(O)cccc23)CC[N@@H+]1C ZINC000684575397 542830054 /nfs/dbraw/zinc/83/00/54/542830054.db2.gz HITOLKICVGZHNX-RYUDHWBXSA-N 2 0 271.364 2.835 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)C[NH+]1CCCC1 ZINC000229650683 393777372 /nfs/dbraw/zinc/77/73/72/393777372.db2.gz GWSLJIUUXLZECP-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000229673189 393777727 /nfs/dbraw/zinc/77/77/27/393777727.db2.gz XMUADVBECKLYQR-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724388 393781270 /nfs/dbraw/zinc/78/12/70/393781270.db2.gz PVBWSFWZCIJRBQ-NFAWXSAZSA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000424339804 393835960 /nfs/dbraw/zinc/83/59/60/393835960.db2.gz WOPDWYSWKPBGCG-CYGXGOLOSA-N 2 0 285.391 2.628 20 0 CFADRP [NH3+][C@@H]1CCCCCC[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424341332 393836555 /nfs/dbraw/zinc/83/65/55/393836555.db2.gz UYRMOZPOZLJDRL-CHWSQXEVSA-N 2 0 292.427 2.953 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000414169809 393796428 /nfs/dbraw/zinc/79/64/28/393796428.db2.gz BNSVJMDXWSRIJW-YLFCFFPRSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414180447 393797296 /nfs/dbraw/zinc/79/72/96/393797296.db2.gz BBPSCOQQBRAVMP-OEAJRASXSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1nccs1 ZINC000093405335 393798336 /nfs/dbraw/zinc/79/83/36/393798336.db2.gz CDMXHASEQZPXML-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)CC[NH2+]1 ZINC000414689455 393802242 /nfs/dbraw/zinc/80/22/42/393802242.db2.gz GIHMZALTXOOCET-HPFXQQBRSA-N 2 0 288.435 2.837 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414682024 393802344 /nfs/dbraw/zinc/80/23/44/393802344.db2.gz QMOJYPFJWNKXJM-HOTGVXAUSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC000414692931 393802358 /nfs/dbraw/zinc/80/23/58/393802358.db2.gz MHJOBZMBPFPQER-CPUCHLNUSA-N 2 0 292.398 2.587 20 0 CFADRP CC[NH+](CC)CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179409 393837551 /nfs/dbraw/zinc/83/75/51/393837551.db2.gz XXYBFCWRRFZXSZ-MSOLQXFVSA-N 2 0 289.467 2.753 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000414756843 393803545 /nfs/dbraw/zinc/80/35/45/393803545.db2.gz RHQAOUHBGDKWIX-BFYDXBDKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccsc3)C2)CC[NH2+]1 ZINC000414711938 393803736 /nfs/dbraw/zinc/80/37/36/393803736.db2.gz TWXNYIAFXFIMDC-UMVBOHGHSA-N 2 0 280.437 2.510 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@@H]2c2nccs2)CC[NH2+]1 ZINC000414763683 393804032 /nfs/dbraw/zinc/80/40/32/393804032.db2.gz XVROAFVFGUWXTH-JHJVBQTASA-N 2 0 297.493 2.621 20 0 CFADRP CCCC[C@@H](C[NH3+])NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414809468 393805423 /nfs/dbraw/zinc/80/54/23/393805423.db2.gz GQWBPTLHPNWSQN-ZDUSSCGKSA-N 2 0 295.393 2.510 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414856380 393807066 /nfs/dbraw/zinc/80/70/66/393807066.db2.gz YTWWHHPQNTWYNK-RYQLBKOJSA-N 2 0 289.467 2.785 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000424270136 393808058 /nfs/dbraw/zinc/80/80/58/393808058.db2.gz QCLMOXMBNDLTRO-LVYXFOGZSA-N 2 0 292.467 2.654 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)CC3 ZINC000414890303 393808735 /nfs/dbraw/zinc/80/87/35/393808735.db2.gz MKXZBUFSIJAHFT-CJNGLKHVSA-N 2 0 283.419 2.661 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000414954228 393808942 /nfs/dbraw/zinc/80/89/42/393808942.db2.gz MVDPMCFRWIXHTR-MVJTYMMSSA-N 2 0 287.451 2.552 20 0 CFADRP CC(C)C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415031011 393810183 /nfs/dbraw/zinc/81/01/83/393810183.db2.gz DKAPKHVVSILUDJ-ROUUACIJSA-N 2 0 290.451 2.784 20 0 CFADRP COCc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424282789 393813588 /nfs/dbraw/zinc/81/35/88/393813588.db2.gz ANAHLMNWGPEZPW-OAHLLOKOSA-N 2 0 288.435 2.797 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000339065458 393815432 /nfs/dbraw/zinc/81/54/32/393815432.db2.gz CHPDVEJVJRHSGO-IXDOHACOSA-N 2 0 274.408 2.591 20 0 CFADRP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339073808 393816746 /nfs/dbraw/zinc/81/67/46/393816746.db2.gz FKKILVPAFBZFKM-BFYDXBDKSA-N 2 0 275.440 2.563 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccccc1)CC[NH2+]CC2 ZINC000424298989 393817457 /nfs/dbraw/zinc/81/74/57/393817457.db2.gz VEVYRNRCMWRGOH-HNNXBMFYSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1cc(Cl)cc(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000339405366 393822645 /nfs/dbraw/zinc/82/26/45/393822645.db2.gz BGEONHVOYHJFIQ-LBPRGKRZSA-N 2 0 254.805 2.936 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000425352872 393877112 /nfs/dbraw/zinc/87/71/12/393877112.db2.gz IHIKSJPCAOKARB-MGPQQGTHSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247228733 393894482 /nfs/dbraw/zinc/89/44/82/393894482.db2.gz YEOCACBFDPXBKK-TWMKSMIVSA-N 2 0 295.515 2.815 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC2)[C@@H](C)C1 ZINC000247936779 393903865 /nfs/dbraw/zinc/90/38/65/393903865.db2.gz CPRDGJRZUJDKCG-ZOBUZTSGSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362795 393840059 /nfs/dbraw/zinc/84/00/59/393840059.db2.gz AXEOJSHAOJCEJI-NWANDNLSSA-N 2 0 290.407 2.596 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C2CCCC2)CC1 ZINC000340280981 393840992 /nfs/dbraw/zinc/84/09/92/393840992.db2.gz SJTUUGLBDLPOBJ-SFHVURJKSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424381167 393841520 /nfs/dbraw/zinc/84/15/20/393841520.db2.gz YIGMWMPCUHNSGJ-VHDGCEQUSA-N 2 0 250.361 2.731 20 0 CFADRP COc1ccccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424381072 393841540 /nfs/dbraw/zinc/84/15/40/393841540.db2.gz QKZKEKGQIYHUDK-CQSZACIVSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1c(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)cnn1C ZINC000340316509 393841670 /nfs/dbraw/zinc/84/16/70/393841670.db2.gz SWIDEATWLZQASH-MSOLQXFVSA-N 2 0 298.434 2.654 20 0 CFADRP CC(C)Cn1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000424370092 393841797 /nfs/dbraw/zinc/84/17/97/393841797.db2.gz CDUPBMNPMPAEHS-HNNXBMFYSA-N 2 0 290.455 2.503 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1c1ccccc1 ZINC000424369714 393841842 /nfs/dbraw/zinc/84/18/42/393841842.db2.gz CENHMOVUTIJXFE-MLHJIOFPSA-N 2 0 287.451 2.681 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424385526 393842792 /nfs/dbraw/zinc/84/27/92/393842792.db2.gz WHRGOCWCQCJHSS-HNKHHVNMSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nccn1C ZINC000246107666 393847969 /nfs/dbraw/zinc/84/79/69/393847969.db2.gz ZGRCUEMTKUCPCX-BZUAXINKSA-N 2 0 292.471 2.829 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000246357226 393862914 /nfs/dbraw/zinc/86/29/14/393862914.db2.gz IFHWCFPHMZCXPR-RDJZCZTQSA-N 2 0 260.425 2.857 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684676455 542844533 /nfs/dbraw/zinc/84/45/33/542844533.db2.gz AVVWBISEXNXTQX-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCC(F)(F)F)CC1 ZINC000346301261 393926055 /nfs/dbraw/zinc/92/60/55/393926055.db2.gz ROCKQGSDHJXAFN-GFCCVEGCSA-N 2 0 296.377 2.542 20 0 CFADRP C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000119965185 393927370 /nfs/dbraw/zinc/92/73/70/393927370.db2.gz MUGKFGBZQUPQAU-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP CC1CCC(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000429038613 393936005 /nfs/dbraw/zinc/93/60/05/393936005.db2.gz XJNAQKKDAMYIJS-GPANFISMSA-N 2 0 250.430 2.840 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000347415629 393940646 /nfs/dbraw/zinc/94/06/46/393940646.db2.gz RFPYMMRGSUSYFO-SJORKVTESA-N 2 0 280.456 2.896 20 0 CFADRP CSC1(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000347934511 393945731 /nfs/dbraw/zinc/94/57/31/393945731.db2.gz FIGUDLGLZLITMN-OKILXGFUSA-N 2 0 270.486 2.840 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000486971137 393976892 /nfs/dbraw/zinc/97/68/92/393976892.db2.gz QPCBDSPOUTWQII-ONEGZZNKSA-N 2 0 273.424 2.805 20 0 CFADRP CC1=C[C@@H](C)C[NH+](CCOCC[N@@H+]2CC(C)=C[C@@H](C)C2)C1 ZINC000430273812 393977254 /nfs/dbraw/zinc/97/72/54/393977254.db2.gz BJHQFMUXLAKVMW-NVXWUHKLSA-N 2 0 292.467 2.799 20 0 CFADRP CC(C)OCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123562625 393983962 /nfs/dbraw/zinc/98/39/62/393983962.db2.gz CNZXBYYWZVPZMV-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CCCc1nc(CN(C)CC[C@@H]([NH3+])C(C)C)cs1 ZINC000123700510 393986207 /nfs/dbraw/zinc/98/62/07/393986207.db2.gz GIACHONPCDVISH-CYBMUJFWSA-N 2 0 269.458 2.901 20 0 CFADRP CC(C)c1ccccc1NC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000430549316 393991815 /nfs/dbraw/zinc/99/18/15/393991815.db2.gz ITJHGFGGLDTPMD-KRWDZBQOSA-N 2 0 291.439 2.712 20 0 CFADRP CCc1cccc(OCC[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430550452 393992606 /nfs/dbraw/zinc/99/26/06/393992606.db2.gz OQEBTLPQLIKNFJ-MRXNPFEDSA-N 2 0 264.413 2.591 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC000430571458 393994527 /nfs/dbraw/zinc/99/45/27/393994527.db2.gz DALHYCRHEBAYRZ-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000430568513 393994665 /nfs/dbraw/zinc/99/46/65/393994665.db2.gz HIXRMDBYUUGTRP-UHFFFAOYSA-N 2 0 298.434 2.760 20 0 CFADRP CCCCc1nc(CN(C)CC(C)(C)C[NH3+])cs1 ZINC000430595530 393998331 /nfs/dbraw/zinc/99/83/31/393998331.db2.gz MTIKPWVKKFFYOK-UHFFFAOYSA-N 2 0 269.458 2.902 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)CC[NH+](C)C ZINC000269030361 394000023 /nfs/dbraw/zinc/00/00/23/394000023.db2.gz RMTPUPARZDMKRD-RHSMWYFYSA-N 2 0 296.430 2.703 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000417881480 394006922 /nfs/dbraw/zinc/00/69/22/394006922.db2.gz UWWHYCUBIUIYES-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487530524 394008994 /nfs/dbraw/zinc/00/89/94/394008994.db2.gz BMONEQWJMSVACN-ONEGZZNKSA-N 2 0 273.424 2.805 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000352511891 394015527 /nfs/dbraw/zinc/01/55/27/394015527.db2.gz UHBHPTOFKXPYRE-HNNXBMFYSA-N 2 0 285.391 2.644 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000353927672 394038508 /nfs/dbraw/zinc/03/85/08/394038508.db2.gz BDLJYQUWKGEOGS-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000353964101 394038718 /nfs/dbraw/zinc/03/87/18/394038718.db2.gz ZKLVIRIOCKMWPE-NWDGAFQWSA-N 2 0 276.346 2.935 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000354166174 394042106 /nfs/dbraw/zinc/04/21/06/394042106.db2.gz JDRRXECBGUYFCZ-ZACQAIPSSA-N 2 0 280.456 2.609 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000437085877 394046265 /nfs/dbraw/zinc/04/62/65/394046265.db2.gz IKFMPUWCTJFNIH-BBRMVZONSA-N 2 0 278.465 2.979 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cn(C)c2c1 ZINC000437104199 394046839 /nfs/dbraw/zinc/04/68/39/394046839.db2.gz NPOPJWNGNTZKIG-MAUKXSAKSA-N 2 0 299.462 2.959 20 0 CFADRP CCN(c1ccccc1)c1cc(NCCCC[NH3+])ncn1 ZINC000420234116 394101298 /nfs/dbraw/zinc/10/12/98/394101298.db2.gz NLUUUYZLMSHBBS-UHFFFAOYSA-N 2 0 285.395 2.785 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000127901789 394058720 /nfs/dbraw/zinc/05/87/20/394058720.db2.gz KHVOYJIHXLTWRQ-ZIAGYGMSSA-N 2 0 264.388 2.861 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000279830808 394069294 /nfs/dbraw/zinc/06/92/94/394069294.db2.gz YZBKIORUNXAPQH-RKVPGOIHSA-N 2 0 288.435 2.837 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([NH+]3CCCC3)CC2)CCO1 ZINC000356934287 394082015 /nfs/dbraw/zinc/08/20/15/394082015.db2.gz YOWVIVLIVNUWJA-NVXWUHKLSA-N 2 0 280.456 2.752 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000129122008 394082986 /nfs/dbraw/zinc/08/29/86/394082986.db2.gz ZJZLOWABXPYFNG-KGLIPLIRSA-N 2 0 258.475 2.934 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000129474071 394088481 /nfs/dbraw/zinc/08/84/81/394088481.db2.gz TUBXUNPMSIVICK-YJBOKZPZSA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1F ZINC000129800356 394095284 /nfs/dbraw/zinc/09/52/84/394095284.db2.gz DSJOTINOCVRXDY-DYEKYZERSA-N 2 0 280.387 2.968 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCOC2CCCCC2)CC[N@@H+]1C ZINC000129826698 394095289 /nfs/dbraw/zinc/09/52/89/394095289.db2.gz XPOMHJIRSFJQQS-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358352509 394105121 /nfs/dbraw/zinc/10/51/21/394105121.db2.gz JITZCAPNOCLJEV-OAUYIBNBSA-N 2 0 271.408 2.605 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCCN1CCCCC(F)(F)F ZINC000420271940 394112293 /nfs/dbraw/zinc/11/22/93/394112293.db2.gz KYXAOFWHEHHEBD-WDEREUQCSA-N 2 0 252.324 2.921 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282026811 394112464 /nfs/dbraw/zinc/11/24/64/394112464.db2.gz SRVDTOWJKGYKMA-HUUCEWRRSA-N 2 0 297.446 2.957 20 0 CFADRP Cc1c(Br)cccc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420283178 394116077 /nfs/dbraw/zinc/11/60/77/394116077.db2.gz BRGVLVNGPJYMNV-IINYFYTJSA-N 2 0 297.240 2.927 20 0 CFADRP Cc1c(Br)cccc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420283157 394116135 /nfs/dbraw/zinc/11/61/35/394116135.db2.gz BRGVLVNGPJYMNV-HZMBPMFUSA-N 2 0 297.240 2.927 20 0 CFADRP CCC(C)(C)CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326725 394117226 /nfs/dbraw/zinc/11/72/26/394117226.db2.gz KOLNCNAFFNQSIY-AWEZNQCLSA-N 2 0 268.445 2.500 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000420304894 394117239 /nfs/dbraw/zinc/11/72/39/394117239.db2.gz JJWCEFVENRXUOS-RWSFTLGLSA-N 2 0 264.800 2.996 20 0 CFADRP CCC[C@H](C)[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321778 394117415 /nfs/dbraw/zinc/11/74/15/394117415.db2.gz RRLNRHGDORHRCS-ZFWWWQNUSA-N 2 0 264.413 2.858 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@@H]1C[NH3+] ZINC000420391226 394119173 /nfs/dbraw/zinc/11/91/73/394119173.db2.gz ALPHJVRBSAVHKX-FFSVYQOJSA-N 2 0 262.372 2.730 20 0 CFADRP CC[C@@H]1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919435 394126488 /nfs/dbraw/zinc/12/64/88/394126488.db2.gz ZDLUXAAFWABMMR-MRXNPFEDSA-N 2 0 288.435 2.751 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccccc2)O1 ZINC000359215320 394127286 /nfs/dbraw/zinc/12/72/86/394127286.db2.gz JQTIUYSQHMLTHV-QAPCUYQASA-N 2 0 288.435 2.838 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC(C)(C)C2)CC1(C)C ZINC000441331453 394137077 /nfs/dbraw/zinc/13/70/77/394137077.db2.gz NVUCUIFCMRMDHO-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]C2CCC(C)(C)CC2)CC1(C)C ZINC000441380711 394138457 /nfs/dbraw/zinc/13/84/57/394138457.db2.gz RCKWNSZBDKGZCX-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000285165782 394139715 /nfs/dbraw/zinc/13/97/15/394139715.db2.gz MSCAKZZZKNQDFC-INIZCTEOSA-N 2 0 272.392 2.621 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000493083438 394142687 /nfs/dbraw/zinc/14/26/87/394142687.db2.gz WPURFAOCECPYHV-HOTGVXAUSA-N 2 0 291.439 2.575 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C)C[C@H]3C)c2c1 ZINC000443443618 394142933 /nfs/dbraw/zinc/14/29/33/394142933.db2.gz YEUOOXJAOUAOPQ-CYBMUJFWSA-N 2 0 255.365 2.684 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000359948576 394143361 /nfs/dbraw/zinc/14/33/61/394143361.db2.gz BVXRTCBRRZXZPE-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CC[C@H]([NH+](C)CC(O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000447321152 394151063 /nfs/dbraw/zinc/15/10/63/394151063.db2.gz LHXOLRIIYTYGPD-WCVJEAGWSA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361322688 394170490 /nfs/dbraw/zinc/17/04/90/394170490.db2.gz YOJBIXNFVXLNSX-SZMVWBNQSA-N 2 0 294.483 2.732 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421361290 394199859 /nfs/dbraw/zinc/19/98/59/394199859.db2.gz GMSBAMXBBJPLFM-QGZVFWFLSA-N 2 0 294.483 2.926 20 0 CFADRP CSCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134917002 394206614 /nfs/dbraw/zinc/20/66/14/394206614.db2.gz GXVYEWUDEVBUPE-UKRRQHHQSA-N 2 0 268.470 2.688 20 0 CFADRP CCc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000421377601 394209220 /nfs/dbraw/zinc/20/92/20/394209220.db2.gz UAOSLEZIDCERDF-UHFFFAOYSA-N 2 0 250.386 2.804 20 0 CFADRP C[C@@H]1CC[C@H](C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)O1 ZINC000364489107 394219944 /nfs/dbraw/zinc/21/99/44/394219944.db2.gz DYDFCUCETSEUBH-HLLBOEOZSA-N 2 0 292.467 2.750 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449131334 394224054 /nfs/dbraw/zinc/22/40/54/394224054.db2.gz LWVXBFXEXUWSHS-WMZOPIPTSA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000136053013 394229690 /nfs/dbraw/zinc/22/96/90/394229690.db2.gz BMOCZIGWNXQQEY-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150981519 394258175 /nfs/dbraw/zinc/25/81/75/394258175.db2.gz UABICYFWJKOYEO-RDJZCZTQSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422914665 394258493 /nfs/dbraw/zinc/25/84/93/394258493.db2.gz VJGWVCOYPSDEQY-LSDHHAIUSA-N 3 0 277.456 2.742 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000138091576 394241215 /nfs/dbraw/zinc/24/12/15/394241215.db2.gz XULDLUGEFHOHAJ-HOTGVXAUSA-N 2 0 278.444 2.516 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000449176151 394241498 /nfs/dbraw/zinc/24/14/98/394241498.db2.gz SFJULLCJHUCZEA-SJORKVTESA-N 2 0 260.425 3.000 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367631781 394258915 /nfs/dbraw/zinc/25/89/15/394258915.db2.gz FIKKUUPBFFRQRP-GOEBONIOSA-N 2 0 290.455 2.889 20 0 CFADRP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000421820363 394244048 /nfs/dbraw/zinc/24/40/48/394244048.db2.gz MBOXODUTQWPETG-RRFJBIMHSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H](C)O1 ZINC000449181267 394244320 /nfs/dbraw/zinc/24/43/20/394244320.db2.gz GFWHEQNUUTWWNS-IOASZLSFSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366545141 394244375 /nfs/dbraw/zinc/24/43/75/394244375.db2.gz OELFAINCSWABOS-OWCLPIDISA-N 2 0 250.430 2.840 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000449183869 394245252 /nfs/dbraw/zinc/24/52/52/394245252.db2.gz LPBZMGREHQHVES-DOTOQJQBSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)[C@@H](C)O1 ZINC000449202684 394250863 /nfs/dbraw/zinc/25/08/63/394250863.db2.gz IYTOLFGCBQMALY-XHBSWPGZSA-N 2 0 280.387 2.543 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367357075 394254105 /nfs/dbraw/zinc/25/41/05/394254105.db2.gz TXEFJKIHEGUTQM-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422714124 394254380 /nfs/dbraw/zinc/25/43/80/394254380.db2.gz KPZMIGLLIWDIED-MDMSPXHWSA-N 2 0 294.483 2.948 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422746564 394254472 /nfs/dbraw/zinc/25/44/72/394254472.db2.gz ZVGNKGLGIAUQSK-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449218164 394254697 /nfs/dbraw/zinc/25/46/97/394254697.db2.gz FYSBTRVZCUYXJX-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422774792 394254989 /nfs/dbraw/zinc/25/49/89/394254989.db2.gz YMFJKFJMGJTIEZ-HIFRSBDPSA-N 2 0 264.438 2.804 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422792320 394255025 /nfs/dbraw/zinc/25/50/25/394255025.db2.gz DIXKWDDFLNBXBG-BBWFWOEESA-N 2 0 279.472 2.501 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422773314 394255188 /nfs/dbraw/zinc/25/51/88/394255188.db2.gz YFSXUORXTVVQOS-LXZKKBNFSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423017670 394260704 /nfs/dbraw/zinc/26/07/04/394260704.db2.gz PGLUYQGJFFGZLZ-WMLDXEAASA-N 2 0 272.436 2.769 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000423025425 394261150 /nfs/dbraw/zinc/26/11/50/394261150.db2.gz ODQVOVBVNZWKOF-YJNKXOJESA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C[NH+](C)C ZINC000291796278 394261422 /nfs/dbraw/zinc/26/14/22/394261422.db2.gz WPYQHYBTRAQKEI-CQSZACIVSA-N 2 0 276.424 2.763 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423034690 394261390 /nfs/dbraw/zinc/26/13/90/394261390.db2.gz QHNNZOQTJVZTJQ-WRQOLXDDSA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)c1ccc(C[C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423022681 394261445 /nfs/dbraw/zinc/26/14/45/394261445.db2.gz IDUVQRJQXNFOHZ-UONOGXRCSA-N 2 0 260.425 2.939 20 0 CFADRP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423033250 394261480 /nfs/dbraw/zinc/26/14/80/394261480.db2.gz ZIJYPKAJOVETCH-NEXFUWMNSA-N 2 0 268.445 2.687 20 0 CFADRP COc1c2ccccc2oc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423072865 394263463 /nfs/dbraw/zinc/26/34/63/394263463.db2.gz QEMZKTWLDCMJQH-YPMHNXCESA-N 2 0 274.364 2.658 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072945 394264409 /nfs/dbraw/zinc/26/44/09/394264409.db2.gz QSJLHWFURSNLOM-STQMWFEESA-N 2 0 284.350 2.548 20 0 CFADRP c1ccc([C@@H]2OCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423075845 394264576 /nfs/dbraw/zinc/26/45/76/394264576.db2.gz PNZNTAMQXFVZIO-AQDBYXPISA-N 2 0 286.419 2.637 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(OC)c1 ZINC000151916551 394265756 /nfs/dbraw/zinc/26/57/56/394265756.db2.gz JZEVWYKYCGXRIG-OAHLLOKOSA-N 2 0 250.386 2.688 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423082553 394266248 /nfs/dbraw/zinc/26/62/48/394266248.db2.gz DJVBPRXMNNPKGS-BVUBDWEXSA-N 2 0 262.372 2.931 20 0 CFADRP COC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423085942 394266980 /nfs/dbraw/zinc/26/69/80/394266980.db2.gz KXGXTVISUJISRC-RISCZKNCSA-N 2 0 270.804 2.745 20 0 CFADRP COCCCC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086755 394267721 /nfs/dbraw/zinc/26/77/21/394267721.db2.gz NYGQTWNBWNRDLY-RHSMWYFYSA-N 2 0 276.424 2.742 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092141 394269157 /nfs/dbraw/zinc/26/91/57/394269157.db2.gz ASHYTTQKDQPHCG-UDNPPVAFSA-N 2 0 280.362 2.928 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423121435 394270639 /nfs/dbraw/zinc/27/06/39/394270639.db2.gz IGWVVNLUSDYUAT-RPCCPQHDSA-N 2 0 290.382 2.723 20 0 CFADRP Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc[nH+]1 ZINC000292206220 394271705 /nfs/dbraw/zinc/27/17/05/394271705.db2.gz GXUBRZYASSMYAG-CYBMUJFWSA-N 2 0 259.397 2.701 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC1(F)F ZINC000423146591 394271936 /nfs/dbraw/zinc/27/19/36/394271936.db2.gz AXVDIWVVRXLLDN-CFVMTHIKSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000449373994 394274779 /nfs/dbraw/zinc/27/47/79/394274779.db2.gz DLLXORPWIQEKQM-UNEWFSDZSA-N 2 0 258.409 2.646 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423282595 394275865 /nfs/dbraw/zinc/27/58/65/394275865.db2.gz CVHHPKNWHQLTHZ-CABCVRRESA-N 2 0 296.842 2.757 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423271446 394275975 /nfs/dbraw/zinc/27/59/75/394275975.db2.gz HMKFOTYRAVVZPE-MJEQTWJJSA-N 2 0 289.423 2.813 20 0 CFADRP CC1(C[NH2+][C@H]2CSCCc3ccccc32)CC[NH2+]CC1 ZINC000423333569 394277628 /nfs/dbraw/zinc/27/76/28/394277628.db2.gz QBTMGFRNGTWDCG-INIZCTEOSA-N 2 0 290.476 2.996 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423339915 394278078 /nfs/dbraw/zinc/27/80/78/394278078.db2.gz BRFYZYNOVONCLI-OSLDLMBLSA-N 2 0 287.451 2.965 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423393143 394279666 /nfs/dbraw/zinc/27/96/66/394279666.db2.gz QLPOMHDXFZXPHP-XZJROXQQSA-N 2 0 260.381 2.637 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423399016 394279961 /nfs/dbraw/zinc/27/99/61/394279961.db2.gz PHJYGQZWBBLNCQ-XOKHGSTOSA-N 2 0 258.409 2.960 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423374181 394280065 /nfs/dbraw/zinc/28/00/65/394280065.db2.gz HYVDCQMFGYCAOL-WCQGTBRESA-N 2 0 267.442 2.934 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423449433 394282213 /nfs/dbraw/zinc/28/22/13/394282213.db2.gz RLRZSDSCYKQJKK-BHDSKKPTSA-N 2 0 297.240 2.632 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423503281 394284737 /nfs/dbraw/zinc/28/47/37/394284737.db2.gz KIKMTMPAAXXLQX-KURKYZTESA-N 2 0 290.451 2.945 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC23CC3)CC1 ZINC000424180992 394332632 /nfs/dbraw/zinc/33/26/32/394332632.db2.gz AGKQWAXLCYDMGD-SFHVURJKSA-N 2 0 299.462 2.861 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCSC(C)(C)C)CC[C@@H]21 ZINC000370284692 394285605 /nfs/dbraw/zinc/28/56/05/394285605.db2.gz FXXPHYALEWWWSU-KBPBESRZSA-N 2 0 270.486 2.934 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000423508058 394285542 /nfs/dbraw/zinc/28/55/42/394285542.db2.gz NIGJGWGCRHYWGI-GLQYFDAESA-N 2 0 282.815 2.745 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423512556 394286432 /nfs/dbraw/zinc/28/64/32/394286432.db2.gz OORQQRBLACKTDS-HOCLYGCPSA-N 3 0 263.429 2.574 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423519635 394287921 /nfs/dbraw/zinc/28/79/21/394287921.db2.gz DHQYEGFVDYFIRN-SVXFNXITSA-N 2 0 294.483 2.935 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423520187 394289501 /nfs/dbraw/zinc/28/95/01/394289501.db2.gz QZPZWWGZSSZEBO-DLBZAZTESA-N 2 0 298.434 2.867 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCOC1 ZINC000423524704 394289978 /nfs/dbraw/zinc/28/99/78/394289978.db2.gz JWNFPLZWAKFICL-OUGKCBKLSA-N 2 0 292.467 2.545 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(OC)c1 ZINC000423533294 394292164 /nfs/dbraw/zinc/29/21/64/394292164.db2.gz XDGHSICMALUVCS-INIZCTEOSA-N 2 0 262.397 2.878 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CCOC)s1 ZINC000153797220 394292457 /nfs/dbraw/zinc/29/24/57/394292457.db2.gz PRPFTHDQQAESHW-ZDUSSCGKSA-N 2 0 284.469 2.929 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000423535602 394293311 /nfs/dbraw/zinc/29/33/11/394293311.db2.gz DNYYRFFWUHGXLC-APWZRJJASA-N 2 0 299.462 2.549 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(C)n1 ZINC000423540453 394293854 /nfs/dbraw/zinc/29/38/54/394293854.db2.gz DNSLNXUZBJMURC-YESZJQIVSA-N 2 0 273.424 2.709 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537410 394293939 /nfs/dbraw/zinc/29/39/39/394293939.db2.gz CWTLBFBDOSLLRW-ADAWSYLGSA-N 2 0 270.420 2.960 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Cl ZINC000423541113 394294798 /nfs/dbraw/zinc/29/47/98/394294798.db2.gz RHZAIEFMNLCJRR-NSHDSACASA-N 2 0 295.814 2.704 20 0 CFADRP COC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423546618 394295512 /nfs/dbraw/zinc/29/55/12/394295512.db2.gz ZDXZEEDQSLINRJ-MRXNPFEDSA-N 2 0 296.361 2.552 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423549687 394295707 /nfs/dbraw/zinc/29/57/07/394295707.db2.gz HZEAHVYGNDQXRL-HJWJTTGWSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423549690 394295879 /nfs/dbraw/zinc/29/58/79/394295879.db2.gz HZEAHVYGNDQXRL-ORQFMDKSSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1cnn(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000372018952 394304818 /nfs/dbraw/zinc/30/48/18/394304818.db2.gz NGOKAYAVSLJJNJ-MRXNPFEDSA-N 2 0 290.455 2.703 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493916973 394336482 /nfs/dbraw/zinc/33/64/82/394336482.db2.gz ODIPKENOAPQYNS-INIZCTEOSA-N 2 0 276.424 2.700 20 0 CFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC1=CCCCC1 ZINC000451039454 394349891 /nfs/dbraw/zinc/34/98/91/394349891.db2.gz YOELMRBOOIWEAT-UHFFFAOYSA-N 2 0 293.499 2.836 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnccn1 ZINC000157867184 394350811 /nfs/dbraw/zinc/35/08/11/394350811.db2.gz TZDDXWHQRVOIEG-CABCVRRESA-N 2 0 276.428 2.782 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000158160974 394355071 /nfs/dbraw/zinc/35/50/71/394355071.db2.gz XLCJZPSQAHOVRC-SJORKVTESA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000158374129 394356965 /nfs/dbraw/zinc/35/69/65/394356965.db2.gz SKOMZHMGZDZUAU-PNBKFKSVSA-N 2 0 288.435 2.871 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cncc(F)c2)c1 ZINC000494549778 394357881 /nfs/dbraw/zinc/35/78/81/394357881.db2.gz RVQGJBVNWTTXAW-UHFFFAOYSA-N 2 0 273.355 2.572 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000158598825 394358995 /nfs/dbraw/zinc/35/89/95/394358995.db2.gz XNPCCEDWMCVNSU-JYJNAYRXSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000158677380 394360152 /nfs/dbraw/zinc/36/01/52/394360152.db2.gz XFHXVBGFZKAXOZ-YVSFHVDLSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158897716 394361859 /nfs/dbraw/zinc/36/18/59/394361859.db2.gz LUXCDFXXMXQZGX-IRXDYDNUSA-N 2 0 282.472 2.804 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159286239 394365380 /nfs/dbraw/zinc/36/53/80/394365380.db2.gz MKNYXRWXBTUXBZ-JKSUJKDBSA-N 2 0 269.392 2.637 20 0 CFADRP C[NH+]1CCC(NCc2ccsc2C(F)(F)F)CC1 ZINC000527632230 394392901 /nfs/dbraw/zinc/39/29/01/394392901.db2.gz RMMUEASZISDEGZ-UHFFFAOYSA-N 2 0 278.343 2.951 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCC2CCCC2)[C@H](C)C1 ZINC000453384109 394393611 /nfs/dbraw/zinc/39/36/11/394393611.db2.gz CLSBKAIUTBBGLA-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000174355035 394378476 /nfs/dbraw/zinc/37/84/76/394378476.db2.gz SUHNBAOSRSAJOZ-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000177342022 394383507 /nfs/dbraw/zinc/38/35/07/394383507.db2.gz KOICYZBTTMIIGI-LLVKDONJSA-N 2 0 250.361 2.775 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453331921 394386717 /nfs/dbraw/zinc/38/67/17/394386717.db2.gz AOSPIGBHGLVRBT-RFBLXINOSA-N 2 0 250.430 2.741 20 0 CFADRP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000453333895 394386730 /nfs/dbraw/zinc/38/67/30/394386730.db2.gz WYUHVWKAPUCZDA-SHUKXNKTSA-N 2 0 268.445 2.679 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393770 394395624 /nfs/dbraw/zinc/39/56/24/394395624.db2.gz GHKGOURISMWGBT-AWEZNQCLSA-N 2 0 261.413 2.915 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(CO)c1 ZINC000453401003 394397254 /nfs/dbraw/zinc/39/72/54/394397254.db2.gz MNQOGNKYYPMEKQ-AWEZNQCLSA-N 2 0 276.424 2.704 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccncc1 ZINC000453405917 394398257 /nfs/dbraw/zinc/39/82/57/394398257.db2.gz QUZAFGOSNSUKNU-INIZCTEOSA-N 2 0 261.413 2.997 20 0 CFADRP c1cc2c(cc[nH+]c2NC[C@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC000528213496 394403573 /nfs/dbraw/zinc/40/35/73/394403573.db2.gz ZDSMMFJELJVKOZ-CYBMUJFWSA-N 2 0 270.380 2.992 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC(F)(F)C1 ZINC000529608529 394415253 /nfs/dbraw/zinc/41/52/53/394415253.db2.gz MTQQWSXQWULCAO-SNVBAGLBSA-N 2 0 265.307 2.858 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC12CC2 ZINC000527851046 394417179 /nfs/dbraw/zinc/41/71/79/394417179.db2.gz OFLUGVKRFBOLCQ-YOEHRIQHSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC12CC2 ZINC000527857053 394417644 /nfs/dbraw/zinc/41/76/44/394417644.db2.gz ZDVGREFZIKVHSW-HOCLYGCPSA-N 2 0 288.435 2.905 20 0 CFADRP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000527873500 394419857 /nfs/dbraw/zinc/41/98/57/394419857.db2.gz VCGDXQRHIOABSR-USXIJHARSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)[C@]1(C)CCCO1 ZINC000527944356 394429561 /nfs/dbraw/zinc/42/95/61/394429561.db2.gz CUFQDYITXIAHJT-XIRDDKMYSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccnc1 ZINC000528015496 394439334 /nfs/dbraw/zinc/43/93/34/394439334.db2.gz XZWJOALBBLCAAJ-BBRMVZONSA-N 2 0 259.397 2.749 20 0 CFADRP COCCC1CC[NH+]([C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000530209453 394480700 /nfs/dbraw/zinc/48/07/00/394480700.db2.gz HTUCYWFJHIMNTR-IAGOWNOFSA-N 2 0 274.408 2.880 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCOC1 ZINC000530212397 394481716 /nfs/dbraw/zinc/48/17/16/394481716.db2.gz QMBYSIUGFGNDLK-PMPSAXMXSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530212649 394482075 /nfs/dbraw/zinc/48/20/75/394482075.db2.gz RTODDRBNXJXUNG-IRXDYDNUSA-N 2 0 258.409 2.651 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216134 394484130 /nfs/dbraw/zinc/48/41/30/394484130.db2.gz MUJJSMSMTDADKS-MJBXVCDLSA-N 2 0 254.393 2.779 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000530218014 394484962 /nfs/dbraw/zinc/48/49/62/394484962.db2.gz DDRIQJAUHAYGPA-MLGOLLRUSA-N 2 0 289.398 2.888 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000530218012 394485301 /nfs/dbraw/zinc/48/53/01/394485301.db2.gz DDRIQJAUHAYGPA-BLLLJJGKSA-N 2 0 289.398 2.888 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000530224780 394489535 /nfs/dbraw/zinc/48/95/35/394489535.db2.gz YMSKKNUWPOXRRK-KBPBESRZSA-N 2 0 293.842 2.947 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238085 394494059 /nfs/dbraw/zinc/49/40/59/394494059.db2.gz JLNFWUALRIDQDP-GOSISDBHSA-N 2 0 288.435 2.586 20 0 CFADRP C[NH+](C)CCC[C@H]1CN(c2nccc3ccccc32)CCO1 ZINC000528058585 394443099 /nfs/dbraw/zinc/44/30/99/394443099.db2.gz QNBLQSFQCYPVAB-INIZCTEOSA-N 2 0 299.418 2.782 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1cccs1 ZINC000536836821 394572557 /nfs/dbraw/zinc/57/25/57/394572557.db2.gz CDQZBQSRWHXUCN-IPYPFGDCSA-N 2 0 266.454 2.999 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1cccs1 ZINC000536836849 394573040 /nfs/dbraw/zinc/57/30/40/394573040.db2.gz CDQZBQSRWHXUCN-NFAWXSAZSA-N 2 0 266.454 2.999 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCc2cccs2)CC[N@@H+]1C ZINC000537952659 394595768 /nfs/dbraw/zinc/59/57/68/394595768.db2.gz NVOARGKZHFULOK-STQMWFEESA-N 2 0 252.427 2.753 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000541201138 394666919 /nfs/dbraw/zinc/66/69/19/394666919.db2.gz UJOOUWFJMAYXGH-ZDUSSCGKSA-N 2 0 266.454 2.953 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2CCCn2ccnc2)c1 ZINC000539413921 394625396 /nfs/dbraw/zinc/62/53/96/394625396.db2.gz WAPIEOFZJPQOIZ-QGZVFWFLSA-N 2 0 299.418 2.989 20 0 CFADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000685658009 542939386 /nfs/dbraw/zinc/93/93/86/542939386.db2.gz JWGMELSOJPHZBY-STQMWFEESA-N 2 0 254.443 2.997 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000547508184 394872943 /nfs/dbraw/zinc/87/29/43/394872943.db2.gz LIWBSTTUCADYFK-INIZCTEOSA-N 2 0 282.472 2.996 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000546626569 394833837 /nfs/dbraw/zinc/83/38/37/394833837.db2.gz FTDFLNWTYHUKFJ-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP CCCC[C@H](CC)CC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000536129644 542965368 /nfs/dbraw/zinc/96/53/68/542965368.db2.gz QXAIZAKDWNFGFQ-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000166692213 542966326 /nfs/dbraw/zinc/96/63/26/542966326.db2.gz GTNVYEGBUAZMGJ-XHSDSOJGSA-N 2 0 259.397 2.749 20 0 CFADRP C[C@H](O)C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000548066521 394908174 /nfs/dbraw/zinc/90/81/74/394908174.db2.gz OIRSWLPIPMSCBQ-KRWDZBQOSA-N 2 0 290.451 2.745 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166721405 542967659 /nfs/dbraw/zinc/96/76/59/542967659.db2.gz OSZRDRKFMQTAJN-IXDOHACOSA-N 2 0 288.435 2.979 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000556166223 394993334 /nfs/dbraw/zinc/99/33/34/394993334.db2.gz KLRNBMCHHFHMPY-DZGCQCFKSA-N 2 0 250.386 2.531 20 0 CFADRP CSc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000305296379 413077639 /nfs/dbraw/zinc/07/76/39/413077639.db2.gz ZDTSCWVEBKLQPV-CQSZACIVSA-N 2 0 252.427 2.872 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC000648448275 395147240 /nfs/dbraw/zinc/14/72/40/395147240.db2.gz VESDTTQDBNCAHT-OWCLPIDISA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000648450613 395148641 /nfs/dbraw/zinc/14/86/41/395148641.db2.gz WEZDDBFBHYHLAZ-AEFFLSMTSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000648453023 395150065 /nfs/dbraw/zinc/15/00/65/395150065.db2.gz QFMZPSSZZQTWDG-ZNMIVQPWSA-N 2 0 270.461 2.900 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000279650268 285617589 /nfs/dbraw/zinc/61/75/89/285617589.db2.gz BUCOUNXUELHOQO-GDBMZVCRSA-N 2 0 264.413 2.694 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)o1 ZINC000647140688 395171011 /nfs/dbraw/zinc/17/10/11/395171011.db2.gz IHWINHFXLNFCAF-UHFFFAOYSA-N 2 0 290.367 2.509 20 0 CFADRP CC/C=C/C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648716674 395282576 /nfs/dbraw/zinc/28/25/76/395282576.db2.gz ZLTMXIOLRAGVKA-AATRIKPKSA-N 2 0 262.397 2.683 20 0 CFADRP FC(F)OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000648817861 395325209 /nfs/dbraw/zinc/32/52/09/395325209.db2.gz DVFNYCCEXAEZIQ-DKNRTOFZSA-N 2 0 288.382 2.753 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCCSC2)[C@H](c2ccccc2)C1 ZINC000647249121 395255428 /nfs/dbraw/zinc/25/54/28/395255428.db2.gz CGHDPEZNTFSXRR-ZACQAIPSSA-N 2 0 290.476 2.817 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000647249187 395256515 /nfs/dbraw/zinc/25/65/15/395256515.db2.gz HULUYLZCZTZDHW-TWPTVVAISA-N 2 0 272.436 2.966 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000647251556 395257819 /nfs/dbraw/zinc/25/78/19/395257819.db2.gz CABUJKWJTFAHDS-BPQIPLTHSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647288036 395272612 /nfs/dbraw/zinc/27/26/12/395272612.db2.gz DWNPYBCKINLZOB-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP C[C@H](C[NH3+])N(C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647496335 395358345 /nfs/dbraw/zinc/35/83/45/395358345.db2.gz VBWKTHMDMWFUCM-GFCCVEGCSA-N 2 0 298.390 2.612 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497478 395360722 /nfs/dbraw/zinc/36/07/22/395360722.db2.gz JGWKHULFCDPCFX-OIISXLGYSA-N 2 0 260.425 2.924 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@@H]1[NH3+] ZINC000647497637 395361657 /nfs/dbraw/zinc/36/16/57/395361657.db2.gz OEWKTPIGUALANY-YOEHRIQHSA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4cnccc43)C[C@H]21 ZINC000647511964 395367061 /nfs/dbraw/zinc/36/70/61/395367061.db2.gz WKWMWQOTQKSLRI-KBAYOESNSA-N 2 0 281.403 2.794 20 0 CFADRP C(C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)[NH+]1CCCCCC1 ZINC000647513852 395369430 /nfs/dbraw/zinc/36/94/30/395369430.db2.gz JNSLIXWGZDVDPD-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544188 395385515 /nfs/dbraw/zinc/38/55/15/395385515.db2.gz XZFLURXEDKVFCE-ZIAGYGMSSA-N 2 0 294.464 2.968 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543733 395385588 /nfs/dbraw/zinc/38/55/88/395385588.db2.gz RMXFLUHQUOJXOA-CABCVRRESA-N 2 0 264.438 2.960 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543724 395386150 /nfs/dbraw/zinc/38/61/50/395386150.db2.gz RMBREDHAWLCJIS-SJORKVTESA-N 2 0 273.424 2.602 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1F ZINC000647545800 395386303 /nfs/dbraw/zinc/38/63/03/395386303.db2.gz WDOONYXXFQBGLR-KGLIPLIRSA-N 2 0 292.398 2.656 20 0 CFADRP c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCCN2 ZINC000647546996 395387430 /nfs/dbraw/zinc/38/74/30/395387430.db2.gz JRUKRQVBKUAOLS-GVDBMIGSSA-N 2 0 285.435 2.522 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549383 395388194 /nfs/dbraw/zinc/38/81/94/395388194.db2.gz XHVFHNQJJGYKCI-REWJHTLYSA-N 2 0 292.398 2.873 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000647549530 395388250 /nfs/dbraw/zinc/38/82/50/395388250.db2.gz GDEZNSFFCHHHGV-RBSFLKMASA-N 2 0 262.372 2.612 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000647548891 395388558 /nfs/dbraw/zinc/38/85/58/395388558.db2.gz ZGJLALAOXZSDRD-RCCFBDPRSA-N 2 0 272.436 2.824 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000647552719 395391040 /nfs/dbraw/zinc/39/10/40/395391040.db2.gz SGXARKUAHMOAMG-OLZOCXBDSA-N 2 0 280.412 2.699 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000647552780 395391851 /nfs/dbraw/zinc/39/18/51/395391851.db2.gz WSOMALDBMLDVSI-HUUCEWRRSA-N 2 0 299.418 2.876 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1OC(C)C ZINC000647552769 395392004 /nfs/dbraw/zinc/39/20/04/395392004.db2.gz VRCGTYKPHXPMHW-QWHCGFSZSA-N 2 0 280.412 2.698 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)ccc21 ZINC000647479861 395353130 /nfs/dbraw/zinc/35/31/30/395353130.db2.gz WTJORAUKVWNMBG-JKSUJKDBSA-N 2 0 298.434 2.537 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000647859128 395446209 /nfs/dbraw/zinc/44/62/09/395446209.db2.gz VXKKWLDPNGWYAG-LBPRGKRZSA-N 2 0 258.369 2.707 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647870049 395448476 /nfs/dbraw/zinc/44/84/76/395448476.db2.gz BYWODUWNSYFQJP-CYBMUJFWSA-N 2 0 272.396 2.731 20 0 CFADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647876885 395449961 /nfs/dbraw/zinc/44/99/61/395449961.db2.gz BXKOOURNNGUXIL-ZDUSSCGKSA-N 2 0 252.789 2.771 20 0 CFADRP CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC000647876824 395450283 /nfs/dbraw/zinc/45/02/83/395450283.db2.gz APJUOZDUCVVQBT-CYBMUJFWSA-N 2 0 297.240 2.881 20 0 CFADRP C(OC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000647882882 395451473 /nfs/dbraw/zinc/45/14/73/395451473.db2.gz LRBJHHFYQQGFPW-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP c1ccc(C[N@H+](CC2CCC2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647882137 395451503 /nfs/dbraw/zinc/45/15/03/395451503.db2.gz NZWPYQHTKJGPAV-QGZVFWFLSA-N 2 0 258.409 2.898 20 0 CFADRP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000647881579 395451515 /nfs/dbraw/zinc/45/15/15/395451515.db2.gz NWRFWICOLPNZLT-MAUKXSAKSA-N 2 0 272.436 2.865 20 0 CFADRP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCOCC[NH3+] ZINC000647882131 395451682 /nfs/dbraw/zinc/45/16/82/395451682.db2.gz MPDDLYTWCLLFJU-CQSZACIVSA-N 2 0 272.392 2.808 20 0 CFADRP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884369 395452180 /nfs/dbraw/zinc/45/21/80/395452180.db2.gz HXXBTOXPFLQJNK-GDBMZVCRSA-N 2 0 274.408 2.832 20 0 CFADRP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884158 395452189 /nfs/dbraw/zinc/45/21/89/395452189.db2.gz USOBQQRZDNZGFD-IAGOWNOFSA-N 2 0 258.409 2.611 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647884497 395452236 /nfs/dbraw/zinc/45/22/36/395452236.db2.gz WUCSTCRHZZDEBY-DLBZAZTESA-N 2 0 258.409 2.551 20 0 CFADRP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647884157 395452370 /nfs/dbraw/zinc/45/23/70/395452370.db2.gz USOBQQRZDNZGFD-DLBZAZTESA-N 2 0 258.409 2.611 20 0 CFADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000647988377 395473623 /nfs/dbraw/zinc/47/36/23/395473623.db2.gz BPMCYRJCVZZEMP-CABCVRRESA-N 2 0 298.434 2.660 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000647888102 395453302 /nfs/dbraw/zinc/45/33/02/395453302.db2.gz MMISYJZQVLEFOC-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647889501 395453439 /nfs/dbraw/zinc/45/34/39/395453439.db2.gz YVLMOSCQNCCLLT-IAGOWNOFSA-N 2 0 260.425 2.857 20 0 CFADRP Fc1cccc([C@@H]2CC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000647890095 395453958 /nfs/dbraw/zinc/45/39/58/395453958.db2.gz PPAHGGBHKDSAAV-INIZCTEOSA-N 2 0 262.372 2.962 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000647889996 395454215 /nfs/dbraw/zinc/45/42/15/395454215.db2.gz DQJAGJYKXXTFMH-DLBZAZTESA-N 2 0 260.425 2.939 20 0 CFADRP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000647892275 395454948 /nfs/dbraw/zinc/45/49/48/395454948.db2.gz LVMVBCGFVYUFKX-GFCCVEGCSA-N 2 0 288.313 2.627 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000647989550 395473793 /nfs/dbraw/zinc/47/37/93/395473793.db2.gz CBPZNNIPFCVANG-QGZVFWFLSA-N 2 0 280.456 2.515 20 0 CFADRP FC(F)(F)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)CC12CCC2 ZINC000647991619 395474137 /nfs/dbraw/zinc/47/41/37/395474137.db2.gz SWOHWFFBHUMSJO-VXGBXAGGSA-N 2 0 276.346 2.650 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647936570 395461717 /nfs/dbraw/zinc/46/17/17/395461717.db2.gz HHKRHCUBLTUHOF-RDJZCZTQSA-N 2 0 276.424 2.687 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2ccc(SC)cc2)CC[C@@H]1[NH3+] ZINC000647937456 395462687 /nfs/dbraw/zinc/46/26/87/395462687.db2.gz ZYLMNNYXAQUQTP-BBRMVZONSA-N 2 0 294.464 2.847 20 0 CFADRP c1cncc([C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000647995152 395474806 /nfs/dbraw/zinc/47/48/06/395474806.db2.gz AQLQGBCFKLCKEO-KRWDZBQOSA-N 2 0 273.424 2.651 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647978562 395471422 /nfs/dbraw/zinc/47/14/22/395471422.db2.gz UWODXWQQIKWPFJ-SJLPKXTDSA-N 2 0 287.451 2.910 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789005 395428793 /nfs/dbraw/zinc/42/87/93/395428793.db2.gz WQQQEGZMBCKZSO-OWCLPIDISA-N 2 0 297.402 2.819 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000647791714 395429873 /nfs/dbraw/zinc/42/98/73/395429873.db2.gz KWHXZQPHTVPUKY-QKPAOTATSA-N 2 0 280.456 2.559 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647791612 395429968 /nfs/dbraw/zinc/42/99/68/395429968.db2.gz ISIRWGXENRJWBB-ARFHVFGLSA-N 2 0 280.456 2.561 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647791873 395430332 /nfs/dbraw/zinc/43/03/32/395430332.db2.gz OYQXYQHMHZJQMT-IJEWVQPXSA-N 2 0 286.419 2.662 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000647793854 395431105 /nfs/dbraw/zinc/43/11/05/395431105.db2.gz JVNRAQIRNPDVLI-VZZFWQQMSA-N 2 0 279.453 2.533 20 0 CFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000647793851 395431155 /nfs/dbraw/zinc/43/11/55/395431155.db2.gz JTGARYXPFZEELZ-WQANXHIZSA-N 2 0 284.447 2.769 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794400 395431494 /nfs/dbraw/zinc/43/14/94/395431494.db2.gz ZOXSSDFXVPHNIQ-GVDBMIGSSA-N 2 0 287.451 2.857 20 0 CFADRP c1ccc(CC2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647795067 395431932 /nfs/dbraw/zinc/43/19/32/395431932.db2.gz IVOXWKYPAYXQRA-IXDOHACOSA-N 2 0 270.420 2.739 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647796648 395432218 /nfs/dbraw/zinc/43/22/18/395432218.db2.gz IDAMXBBMDJGGCJ-ARFHVFGLSA-N 2 0 290.476 2.929 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000647797044 395432594 /nfs/dbraw/zinc/43/25/94/395432594.db2.gz VTSVFUKZZIMSSB-GVDBMIGSSA-N 2 0 281.403 2.713 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798632 395432863 /nfs/dbraw/zinc/43/28/63/395432863.db2.gz UNQIFQCEGZNWIL-HTXFPXQUSA-N 2 0 250.430 2.789 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000647798886 395433508 /nfs/dbraw/zinc/43/35/08/395433508.db2.gz YVCSWELVDIWTHF-BZUAXINKSA-N 2 0 280.456 2.561 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000647798888 395433734 /nfs/dbraw/zinc/43/37/34/395433734.db2.gz YVCSWELVDIWTHF-HRCADAONSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800600 395433933 /nfs/dbraw/zinc/43/39/33/395433933.db2.gz HBLXRRCGCBOBLA-YNEHKIRRSA-N 2 0 280.437 2.645 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC(F)F ZINC000647801439 395434907 /nfs/dbraw/zinc/43/49/07/395434907.db2.gz VRRKCXQVRIYFEX-QNWHQSFQSA-N 2 0 260.372 2.788 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647978597 395472384 /nfs/dbraw/zinc/47/23/84/395472384.db2.gz VHJGRPKGTGAQEV-RRFJBIMHSA-N 2 0 277.412 2.756 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC(F)F ZINC000647801441 395435016 /nfs/dbraw/zinc/43/50/16/395435016.db2.gz VRRKCXQVRIYFEX-WUHRBBMRSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000647801428 395435031 /nfs/dbraw/zinc/43/50/31/395435031.db2.gz VCNSFVYBKHAOKR-SNVBAGLBSA-N 2 0 286.322 2.615 20 0 CFADRP COc1ccccc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647802424 395435498 /nfs/dbraw/zinc/43/54/98/395435498.db2.gz KVLPOJXIXHMZCD-RRFJBIMHSA-N 2 0 286.419 2.662 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccccc2F)CCC1 ZINC000647802084 395435657 /nfs/dbraw/zinc/43/56/57/395435657.db2.gz FTHZLDXOFSHJKZ-ZDUSSCGKSA-N 2 0 280.387 2.548 20 0 CFADRP C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)C1C[NH2+]C1 ZINC000647803951 395437184 /nfs/dbraw/zinc/43/71/84/395437184.db2.gz FQNJJCFXJLQSEE-LLVKDONJSA-N 2 0 264.800 2.917 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814160 395438555 /nfs/dbraw/zinc/43/85/55/395438555.db2.gz AMQKBZDYXLNYGY-UHFFFAOYSA-N 2 0 288.435 2.899 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814295 395438651 /nfs/dbraw/zinc/43/86/51/395438651.db2.gz HIWXCJMZCDCIBJ-UHFFFAOYSA-N 2 0 288.435 2.899 20 0 CFADRP FC(F)(F)CCCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815518 395439235 /nfs/dbraw/zinc/43/92/35/395439235.db2.gz VTZYQEMYIDKPCI-UHFFFAOYSA-N 2 0 264.335 2.935 20 0 CFADRP CC(C)Oc1ccc(C[N@H+](C)CCC[NH3+])cc1Cl ZINC000647847688 395445036 /nfs/dbraw/zinc/44/50/36/395445036.db2.gz ZSAYADBNKJUOBO-UHFFFAOYSA-N 2 0 270.804 2.908 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000648158197 395510607 /nfs/dbraw/zinc/51/06/07/395510607.db2.gz GYRVAQVEQUZENA-UHFFFAOYSA-N 2 0 277.412 2.513 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037149854 543026274 /nfs/dbraw/zinc/02/62/74/543026274.db2.gz PJCTXXJDJGQJMY-HNNXBMFYSA-N 3 0 281.488 2.571 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000649413861 395489054 /nfs/dbraw/zinc/48/90/54/395489054.db2.gz NTRUCTXDDUJRBU-GOSISDBHSA-N 3 0 293.499 2.717 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C)([NH3+])CC3)cc2)n1 ZINC000649416082 395490165 /nfs/dbraw/zinc/49/01/65/395490165.db2.gz MHCKJNVXHWTGSO-UHFFFAOYSA-N 2 0 298.434 2.802 20 0 CFADRP C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)C1CC[NH+](C)CC1 ZINC000037221374 543027515 /nfs/dbraw/zinc/02/75/15/543027515.db2.gz BFPAHHYFPYONEH-UKRRQHHQSA-N 2 0 295.496 2.671 20 0 CFADRP CC(C)O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000649702964 395555755 /nfs/dbraw/zinc/55/57/55/395555755.db2.gz RNAMDHSDOVIBSN-MRXNPFEDSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000309952455 413079923 /nfs/dbraw/zinc/07/99/23/413079923.db2.gz GYQPIJGURCUGHA-RDJZCZTQSA-N 2 0 276.424 2.653 20 0 CFADRP CCCCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)C ZINC000311093176 413086857 /nfs/dbraw/zinc/08/68/57/413086857.db2.gz ZHPWQEUBGTVZMA-OAHLLOKOSA-N 2 0 258.450 2.588 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000314460126 413099124 /nfs/dbraw/zinc/09/91/24/413099124.db2.gz YQFQTRPUOQUNLG-VKJFTORMSA-N 2 0 286.419 2.614 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000339006237 292107918 /nfs/dbraw/zinc/10/79/18/292107918.db2.gz YWPWUWCSRPGYTB-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400999672 413159406 /nfs/dbraw/zinc/15/94/06/413159406.db2.gz GHAWJBUAUQZASW-JHJVBQTASA-N 2 0 250.411 2.534 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423155556 292117312 /nfs/dbraw/zinc/11/73/12/292117312.db2.gz QSMIVKIIBVGLCC-JKSUJKDBSA-N 2 0 264.388 2.926 20 0 CFADRP COC1(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCCC1 ZINC000319146864 292121510 /nfs/dbraw/zinc/12/15/10/292121510.db2.gz IYHBUMIHEZMQGM-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccccc2OC)CC1 ZINC000105808937 397596617 /nfs/dbraw/zinc/59/66/17/397596617.db2.gz WXEWBHDYEFETKR-UHFFFAOYSA-N 2 0 292.423 2.538 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000109119944 397598346 /nfs/dbraw/zinc/59/83/46/397598346.db2.gz MPSFJBQQJKERKN-RAIGVLPGSA-N 2 0 282.334 2.500 20 0 CFADRP Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000301334007 397638228 /nfs/dbraw/zinc/63/82/28/397638228.db2.gz BHDBWIMIULPROY-CQSZACIVSA-N 2 0 299.418 2.923 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663386475 413173225 /nfs/dbraw/zinc/17/32/25/413173225.db2.gz BENHNFNYJZGTHB-GFCCVEGCSA-N 2 0 258.369 2.849 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000650497703 397812829 /nfs/dbraw/zinc/81/28/29/397812829.db2.gz TTYZVFLQCUTAPA-QGZVFWFLSA-N 2 0 276.399 2.789 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759209 397885128 /nfs/dbraw/zinc/88/51/28/397885128.db2.gz GIGUFZIHEZILGG-GDBMZVCRSA-N 2 0 275.440 2.911 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](COC)C1CCCC1 ZINC000650757326 397885328 /nfs/dbraw/zinc/88/53/28/397885328.db2.gz UPYRTDYZLAUUKT-QGZVFWFLSA-N 2 0 276.424 2.701 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccnc1 ZINC000650758797 397885342 /nfs/dbraw/zinc/88/53/42/397885342.db2.gz XTQVKTVNMKDMEX-ZDUSSCGKSA-N 2 0 255.365 2.652 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C12CCC2 ZINC000650757449 397885380 /nfs/dbraw/zinc/88/53/80/397885380.db2.gz XIYPGUUNPLAOPU-IRXDYDNUSA-N 2 0 288.435 2.843 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000650758082 397885478 /nfs/dbraw/zinc/88/54/78/397885478.db2.gz IKAZWEHOPADEIV-GFCCVEGCSA-N 2 0 273.355 2.791 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000650757443 397885555 /nfs/dbraw/zinc/88/55/55/397885555.db2.gz XGLKGJUZVPZYDT-GVDBMIGSSA-N 2 0 288.435 2.699 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)CC[N@@H+]1C ZINC000650760633 397886148 /nfs/dbraw/zinc/88/61/48/397886148.db2.gz JBQCLSJIURVXQA-PVAVHDDUSA-N 2 0 287.451 2.876 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759653 397886421 /nfs/dbraw/zinc/88/64/21/397886421.db2.gz NOJVGRQRZNKPTN-XHSDSOJGSA-N 2 0 273.424 2.520 20 0 CFADRP c1cncc([C@H]([NH2+]CCC2CC[NH2+]CC2)C2CCC2)c1 ZINC000650762172 397886972 /nfs/dbraw/zinc/88/69/72/397886972.db2.gz VVDIRSJHLRLLNU-QGZVFWFLSA-N 2 0 273.424 2.902 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)oc1C ZINC000650761512 397887205 /nfs/dbraw/zinc/88/72/05/397887205.db2.gz AWXYURUAIVTBLC-GFCCVEGCSA-N 2 0 250.386 2.937 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650702517 397858814 /nfs/dbraw/zinc/85/88/14/397858814.db2.gz JUMVGXOYOJIBKY-CYBMUJFWSA-N 2 0 258.409 2.735 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707643 397860834 /nfs/dbraw/zinc/86/08/34/397860834.db2.gz KAVFIYKQGSAIRT-VGWMRTNUSA-N 2 0 268.445 2.641 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000650704096 397860978 /nfs/dbraw/zinc/86/09/78/397860978.db2.gz HLUKEJALQBMNQD-UHFFFAOYSA-N 2 0 266.388 2.924 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000650709298 397861927 /nfs/dbraw/zinc/86/19/27/397861927.db2.gz PTXBPOQWLDXYJC-YJBOKZPZSA-N 2 0 297.402 2.501 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)o1 ZINC000650763523 397887866 /nfs/dbraw/zinc/88/78/66/397887866.db2.gz CKAPLCOZELJKLK-LBPRGKRZSA-N 2 0 250.386 2.882 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000650763160 397887885 /nfs/dbraw/zinc/88/78/85/397887885.db2.gz SUBCVJJPWKMACL-MRXNPFEDSA-N 2 0 279.403 2.897 20 0 CFADRP CC[N@H+](CCCNC[C@@H]([NH3+])CC(C)C)C1CCCCC1 ZINC000650710093 397863070 /nfs/dbraw/zinc/86/30/70/397863070.db2.gz CYDDWRDLHQPRRF-INIZCTEOSA-N 2 0 283.504 2.994 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)[C@@H]1CC[NH3+] ZINC000650711393 397863881 /nfs/dbraw/zinc/86/38/81/397863881.db2.gz SEFHLHBLHSDOJU-UKRRQHHQSA-N 2 0 278.444 2.587 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2c1 ZINC000650711197 397863909 /nfs/dbraw/zinc/86/39/09/397863909.db2.gz LFEWJQVGWDRFAC-HOCLYGCPSA-N 2 0 286.423 2.592 20 0 CFADRP Cc1cccc2ncc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n21 ZINC000650710895 397864008 /nfs/dbraw/zinc/86/40/08/397864008.db2.gz CDQSZLGJPIFEDL-CZUORRHYSA-N 2 0 286.423 2.592 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000650712136 397864641 /nfs/dbraw/zinc/86/46/41/397864641.db2.gz SAUSQWVBWQIRBN-UHFFFAOYSA-N 2 0 291.414 2.645 20 0 CFADRP COc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1OC(C)C ZINC000650712206 397864853 /nfs/dbraw/zinc/86/48/53/397864853.db2.gz WJGWEAMODLSBHA-UHFFFAOYSA-N 2 0 292.423 2.701 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000650712238 397864879 /nfs/dbraw/zinc/86/48/79/397864879.db2.gz XKRAOZOMZRBLNI-UHFFFAOYSA-N 2 0 270.323 2.507 20 0 CFADRP CSc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712038 397865053 /nfs/dbraw/zinc/86/50/53/397865053.db2.gz OASJWENKVSNDLX-UHFFFAOYSA-N 2 0 250.411 2.627 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650714195 397865440 /nfs/dbraw/zinc/86/54/40/397865440.db2.gz VRAXYVAAYVUVIZ-UHFFFAOYSA-N 2 0 267.442 2.659 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336420030 296567211 /nfs/dbraw/zinc/56/72/11/296567211.db2.gz PZCJSMHYQMQEQX-IAGOWNOFSA-N 2 0 292.467 2.677 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717726 397867799 /nfs/dbraw/zinc/86/77/99/397867799.db2.gz KMXYGHDIRCKUKE-IAQYHMDHSA-N 2 0 250.361 2.953 20 0 CFADRP CCc1ncc(C[NH2+]Cc2ccccc2C[NH2+]C)s1 ZINC000650719370 397868155 /nfs/dbraw/zinc/86/81/55/397868155.db2.gz NVRXKZDKFLXUEC-UHFFFAOYSA-N 2 0 275.421 2.715 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000650764213 397888501 /nfs/dbraw/zinc/88/85/01/397888501.db2.gz SUOPHRFKKPQMCC-LBPRGKRZSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000650764351 397888507 /nfs/dbraw/zinc/88/85/07/397888507.db2.gz WQEBAADQIMXMSI-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCc3ccccc3N2)CC1 ZINC000650721145 397870222 /nfs/dbraw/zinc/87/02/22/397870222.db2.gz SCDNOOZWXSELFV-KRWDZBQOSA-N 2 0 287.451 2.877 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763830 397888560 /nfs/dbraw/zinc/88/85/60/397888560.db2.gz KHRRXNTZJVRXFQ-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000650721704 397870611 /nfs/dbraw/zinc/87/06/11/397870611.db2.gz ZIKYLOBTOXIJQU-UHFFFAOYSA-N 2 0 298.434 2.946 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650763612 397888671 /nfs/dbraw/zinc/88/86/71/397888671.db2.gz FMNUVGIQMUASGJ-MRXNPFEDSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740794 397874773 /nfs/dbraw/zinc/87/47/73/397874773.db2.gz RIHNBCRUEJJXKL-QWHCGFSZSA-N 2 0 264.388 2.963 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741159 397875694 /nfs/dbraw/zinc/87/56/94/397875694.db2.gz ZAHGEBYVKQGITN-CQSZACIVSA-N 2 0 294.414 2.591 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650741957 397876593 /nfs/dbraw/zinc/87/65/93/397876593.db2.gz ONTKDXYHLQEHSS-AEIJQKHESA-N 2 0 256.393 2.724 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1nc2c(s1)CCCC2 ZINC000650746149 397879628 /nfs/dbraw/zinc/87/96/28/397879628.db2.gz XGMCMEWEBUOIEF-LLVKDONJSA-N 2 0 279.453 2.802 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(C2CCCC2)c1 ZINC000650746387 397879763 /nfs/dbraw/zinc/87/97/63/397879763.db2.gz BAMGBWYSUMRJJQ-ZDUSSCGKSA-N 2 0 276.428 2.778 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000650747724 397880159 /nfs/dbraw/zinc/88/01/59/397880159.db2.gz GJWALFYUMSDKAE-NSHDSACASA-N 2 0 284.325 2.810 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404287040 413192448 /nfs/dbraw/zinc/19/24/48/413192448.db2.gz INGGHTVSKZEPBG-DOMZBBRYSA-N 2 0 250.361 2.775 20 0 CFADRP C[NH2+]CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404318872 413195933 /nfs/dbraw/zinc/19/59/33/413195933.db2.gz IKJZDUWUYPNYOS-BBWFWOEESA-N 2 0 289.467 2.579 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1OC ZINC000404301000 413197332 /nfs/dbraw/zinc/19/73/32/413197332.db2.gz ZKMSIOFAWKTNOG-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404325002 413197684 /nfs/dbraw/zinc/19/76/84/413197684.db2.gz UJLJMYHAWJSCGU-HOCLYGCPSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@H]1CC[NH3+] ZINC000404450113 413206250 /nfs/dbraw/zinc/20/62/50/413206250.db2.gz YJTZPBWKZHRQHT-YJBOKZPZSA-N 2 0 298.434 2.822 20 0 CFADRP CC[C@@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+](CC)CC ZINC000356162495 155175711 /nfs/dbraw/zinc/17/57/11/155175711.db2.gz GKIPQSANLYVOPI-INIZCTEOSA-N 2 0 299.503 2.684 20 0 CFADRP FC1(F)CC12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000405077396 413217681 /nfs/dbraw/zinc/21/76/81/413217681.db2.gz FAODZTVUNWYHEE-UHFFFAOYSA-N 2 0 292.373 2.954 20 0 CFADRP Cc1ccncc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782551 413221176 /nfs/dbraw/zinc/22/11/76/413221176.db2.gz HLEOFFWNLDOZBO-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP CN(Cc1cccc(OCc2ccccn2)c1)CC(C)(C)[NH3+] ZINC000656782996 413222086 /nfs/dbraw/zinc/22/20/86/413222086.db2.gz KYBABPKXTWNFEQ-UHFFFAOYSA-N 2 0 299.418 2.830 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423123063 286028759 /nfs/dbraw/zinc/02/87/59/286028759.db2.gz LXCMXZXLJRHBIO-LBPRGKRZSA-N 2 0 279.428 2.562 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423127051 286029097 /nfs/dbraw/zinc/02/90/97/286029097.db2.gz SRGVYJRBRNOQDH-GOEBONIOSA-N 2 0 278.440 2.597 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785524 413224357 /nfs/dbraw/zinc/22/43/57/413224357.db2.gz LKPBGIGCGAQBRI-HNNXBMFYSA-N 2 0 293.480 2.972 20 0 CFADRP c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656786455 413224968 /nfs/dbraw/zinc/22/49/68/413224968.db2.gz SVZITTNIFMMLIF-AWEZNQCLSA-N 2 0 264.438 2.960 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000663466788 413225817 /nfs/dbraw/zinc/22/58/17/413225817.db2.gz XOJSVFWIKZQDMG-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC1(C[NH2+]CC2CC[NH2+]CC2)CCCC1 ZINC000415086687 286047825 /nfs/dbraw/zinc/04/78/25/286047825.db2.gz KAALCLLHSOPSNS-UHFFFAOYSA-N 2 0 268.445 2.563 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCC1 ZINC000422933326 286049697 /nfs/dbraw/zinc/04/96/97/286049697.db2.gz DILKSJGHFMCZBU-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785133 413226680 /nfs/dbraw/zinc/22/66/80/413226680.db2.gz JGGQJPRUEFLITN-CQSZACIVSA-N 2 0 293.480 2.917 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCC1 ZINC000415086288 286049963 /nfs/dbraw/zinc/04/99/63/286049963.db2.gz JKPBIUOLPZLWFY-HNNXBMFYSA-N 2 0 268.445 2.705 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)C)[C@H](C)C1 ZINC000248054358 286064332 /nfs/dbraw/zinc/06/43/32/286064332.db2.gz WXNQMGNJKFCNNU-OAGGEKHMSA-N 2 0 270.461 2.758 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)[C@H](C)C1 ZINC000358017033 286061988 /nfs/dbraw/zinc/06/19/88/286061988.db2.gz NYNCRDYICMZHPP-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000423537943 296614443 /nfs/dbraw/zinc/61/44/43/296614443.db2.gz FAFPZZXELNLALR-MANSERQUSA-N 2 0 284.447 2.985 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786640 413229061 /nfs/dbraw/zinc/22/90/61/413229061.db2.gz VJBDMFVKRZQIJK-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2cccc3cccnc32)CCCC1 ZINC000656788443 413231207 /nfs/dbraw/zinc/23/12/07/413231207.db2.gz PKPFDYQJJBUDDY-UHFFFAOYSA-N 2 0 255.365 2.596 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]C1 ZINC000656790602 413235092 /nfs/dbraw/zinc/23/50/92/413235092.db2.gz CMUCNCKGYOEYHC-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](C[NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1 ZINC000656789631 413235961 /nfs/dbraw/zinc/23/59/61/413235961.db2.gz TYFJFHAPMHTGPA-GFCCVEGCSA-N 2 0 250.361 2.790 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656791407 413237261 /nfs/dbraw/zinc/23/72/61/413237261.db2.gz FWYPWZJTCMBNBE-JYJNAYRXSA-N 2 0 268.445 2.641 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415115585 413241347 /nfs/dbraw/zinc/24/13/47/413241347.db2.gz YOCHIBYTRBSYLW-CAOSSQGBSA-N 2 0 268.445 2.844 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000663497778 413242444 /nfs/dbraw/zinc/24/24/44/413242444.db2.gz GHYJZFQCUZVVJO-CYBMUJFWSA-N 2 0 258.768 2.942 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000663501508 413243777 /nfs/dbraw/zinc/24/37/77/413243777.db2.gz WYYZNVOIQQWGNK-NALMEZQBSA-N 2 0 270.420 2.739 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1(C)C ZINC000353520280 286172302 /nfs/dbraw/zinc/17/23/02/286172302.db2.gz NTDITOSAVZWYPB-CEEVZKBLSA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc2cccnc21 ZINC000663498937 413246090 /nfs/dbraw/zinc/24/60/90/413246090.db2.gz VCXSFBBDHZHKMJ-OAHLLOKOSA-N 2 0 257.381 2.698 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000663499737 413245579 /nfs/dbraw/zinc/24/55/79/413245579.db2.gz LPJIKLIGVPRGEV-CYBMUJFWSA-N 2 0 269.458 2.805 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499008 413245617 /nfs/dbraw/zinc/24/56/17/413245617.db2.gz UKZBJGAZHSQTHJ-ODIFPOPNSA-N 2 0 258.409 2.597 20 0 CFADRP CSc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663498512 413245688 /nfs/dbraw/zinc/24/56/88/413245688.db2.gz OMBYNGINFCMXHU-CQSZACIVSA-N 2 0 252.427 2.872 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663498892 413245963 /nfs/dbraw/zinc/24/59/63/413245963.db2.gz SCUCXNJUVRYHRQ-QGZVFWFLSA-N 2 0 286.423 2.644 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OCC ZINC000663498961 413247049 /nfs/dbraw/zinc/24/70/49/413247049.db2.gz WGAUVRVDEPKINJ-OAHLLOKOSA-N 2 0 294.439 2.947 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ncccc1CC ZINC000356839501 286198525 /nfs/dbraw/zinc/19/85/25/286198525.db2.gz IVKCEELZTSBYLO-ZBFHGGJFSA-N 2 0 293.455 2.651 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423159019 286211194 /nfs/dbraw/zinc/21/11/94/286211194.db2.gz DXWVWAWNBJRJNC-CAOSSQGBSA-N 2 0 268.445 2.844 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000663502441 413249319 /nfs/dbraw/zinc/24/93/19/413249319.db2.gz JBCBBHKIKAZGMK-RYQLBKOJSA-N 2 0 289.467 2.785 20 0 CFADRP Cc1cccc2c1CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000663504159 413249675 /nfs/dbraw/zinc/24/96/75/413249675.db2.gz VKCGPRNSPCRWSW-QGZVFWFLSA-N 2 0 258.409 2.962 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423358160 286255262 /nfs/dbraw/zinc/25/52/62/286255262.db2.gz BGBVDELESDNYAA-JMSVASOKSA-N 2 0 278.371 2.681 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000663514161 413256419 /nfs/dbraw/zinc/25/64/19/413256419.db2.gz NSCRHICTBMPIJE-NWDGAFQWSA-N 2 0 286.366 2.807 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C12CCCCC2 ZINC000423267710 286285018 /nfs/dbraw/zinc/28/50/18/286285018.db2.gz FPAFNESULLSWST-RRFJBIMHSA-N 2 0 268.445 2.687 20 0 CFADRP COCC1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000449233177 292263211 /nfs/dbraw/zinc/26/32/11/292263211.db2.gz XRERSBKUWWXUIX-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000414315221 292265747 /nfs/dbraw/zinc/26/57/47/292265747.db2.gz RQUIMRBHULKTKP-AOTHYSKPSA-N 2 0 268.445 2.510 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356786722 155368166 /nfs/dbraw/zinc/36/81/66/155368166.db2.gz USXMVSWJGKUPPU-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000420411650 286372561 /nfs/dbraw/zinc/37/25/61/286372561.db2.gz RYKXAIBIIDIGIP-ZBFHGGJFSA-N 2 0 276.424 2.906 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C12CCC2 ZINC000422787224 286397682 /nfs/dbraw/zinc/39/76/82/286397682.db2.gz UDMXRDRGUDYVAQ-LJISPDSOSA-N 2 0 266.429 2.584 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(CC)CC ZINC000423427080 286400050 /nfs/dbraw/zinc/40/00/50/286400050.db2.gz FRHYUSAJFRMINT-VVLHAWIVSA-N 2 0 294.483 2.948 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])C1(CC)CC ZINC000422840252 286401298 /nfs/dbraw/zinc/40/12/98/286401298.db2.gz SLQQDGZQZMVBKV-HZSPNIEDSA-N 2 0 256.434 2.687 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422783315 533676233 /nfs/dbraw/zinc/67/62/33/533676233.db2.gz HEUCPOVCJWMBNJ-ZIAGYGMSSA-N 2 0 280.412 2.570 20 0 CFADRP CC[N@@H+]1C[C@@H](C)[C@H](NCCC[NH+](C)C2CCCCC2)C1 ZINC000343087050 154109548 /nfs/dbraw/zinc/10/95/48/154109548.db2.gz UKVSONPXJJLXIC-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CCN1C[C@H]([NH2+]CCSc2ccccc2)[C@@H](C)C1 ZINC000343090514 154111092 /nfs/dbraw/zinc/11/10/92/154111092.db2.gz FGVSKRHOAINXPD-ZFWWWQNUSA-N 2 0 264.438 2.709 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000348052609 154298554 /nfs/dbraw/zinc/29/85/54/154298554.db2.gz YXLIGYOHCZYVHZ-DLBZAZTESA-N 2 0 283.504 2.532 20 0 CFADRP C[C@H](C[NH2+]CCCC1CCCCC1)CN1CC[NH+](C)CC1 ZINC000348052607 154298747 /nfs/dbraw/zinc/29/87/47/154298747.db2.gz YVSYWYGDJGXKGU-QGZVFWFLSA-N 2 0 295.515 2.820 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CC2(SC)CC2)CC1 ZINC000348069392 154305569 /nfs/dbraw/zinc/30/55/69/154305569.db2.gz GCQBIGJDKXUMRL-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348101787 154320071 /nfs/dbraw/zinc/32/00/71/154320071.db2.gz KZRYTGGMMKNAKR-SJORKVTESA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+](CC)CCN(CC[C@@H]1CCC[N@@H+]1C)CC(C)C ZINC000348275733 154391146 /nfs/dbraw/zinc/39/11/46/154391146.db2.gz XTOLIUOGNWSDPF-KRWDZBQOSA-N 2 0 283.504 2.771 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCCC1 ZINC000660416268 413298287 /nfs/dbraw/zinc/29/82/87/413298287.db2.gz QDHARSHTHBCVIV-HOTGVXAUSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1[nH+]ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1Cl ZINC000355668853 155061943 /nfs/dbraw/zinc/06/19/43/155061943.db2.gz MRLGREUCKSHZGP-CYBMUJFWSA-N 2 0 279.815 2.894 20 0 CFADRP C[C@@H](c1ccccn1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000355746737 155074949 /nfs/dbraw/zinc/07/49/49/155074949.db2.gz RQMDTHUGDAVUCB-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP CCSCC[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000355752382 155076519 /nfs/dbraw/zinc/07/65/19/155076519.db2.gz NTKXYVAFHRUZPS-AWEZNQCLSA-N 2 0 258.475 2.841 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000355764382 155079034 /nfs/dbraw/zinc/07/90/34/155079034.db2.gz HQDZFEJHYGQESP-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1(CC)CC ZINC000423538045 286491570 /nfs/dbraw/zinc/49/15/70/286491570.db2.gz LWVSVXVBWVUBAO-CVEARBPZSA-N 2 0 280.456 2.870 20 0 CFADRP CC(C)c1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000660436874 413314338 /nfs/dbraw/zinc/31/43/38/413314338.db2.gz MMKHBGOPVSQXGW-CALCHBBNSA-N 2 0 258.409 2.803 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423542273 286499043 /nfs/dbraw/zinc/49/90/43/286499043.db2.gz ARGBBSCYIMNBRF-AWEZNQCLSA-N 2 0 274.408 2.526 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)on1 ZINC000359198906 156020912 /nfs/dbraw/zinc/02/09/12/156020912.db2.gz DJBKMXOJAKUSDK-AWEZNQCLSA-N 2 0 263.385 2.510 20 0 CFADRP COCCN1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000360156357 156036257 /nfs/dbraw/zinc/03/62/57/156036257.db2.gz PXRJBUBRTROUEE-CYBMUJFWSA-N 2 0 280.412 2.658 20 0 CFADRP Cc1cc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)[nH]n1 ZINC000360201216 156050667 /nfs/dbraw/zinc/05/06/67/156050667.db2.gz XXWOFIWZZFQVAK-INIZCTEOSA-N 2 0 290.455 2.772 20 0 CFADRP Cc1cccc(NC2CC[NH+](CCc3ccncc3)CC2)n1 ZINC000363231824 156164072 /nfs/dbraw/zinc/16/40/72/156164072.db2.gz ZPZLNJOYIYAFJI-UHFFFAOYSA-N 2 0 296.418 2.904 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC2CCCC2)CC1 ZINC000363255545 156165698 /nfs/dbraw/zinc/16/56/98/156165698.db2.gz YXDRTEJTVPLVSN-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C(CC1CCOCC1)C[N@@H+]1C[C@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363972488 156211829 /nfs/dbraw/zinc/21/18/29/156211829.db2.gz IFIDQSSHZOJDBU-RCCFBDPRSA-N 2 0 292.467 2.609 20 0 CFADRP COc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367472428 156338430 /nfs/dbraw/zinc/33/84/30/156338430.db2.gz LIYLUZHOPBOURU-IKGGRYGDSA-N 2 0 286.419 2.611 20 0 CFADRP CC(C)SCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367597853 156357463 /nfs/dbraw/zinc/35/74/63/156357463.db2.gz CGELZSMGOMYGTD-PBWFPOADSA-N 2 0 256.459 2.685 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000367601269 156359635 /nfs/dbraw/zinc/35/96/35/156359635.db2.gz NGMXMJRDQWWYCN-BFHYXJOUSA-N 2 0 279.453 2.722 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@@H]2CCC[C@@H]21 ZINC000367625502 156366654 /nfs/dbraw/zinc/36/66/54/156366654.db2.gz YLPZHKHSKXZZKC-KKUMJFAQSA-N 2 0 264.438 2.753 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367625946 156368360 /nfs/dbraw/zinc/36/83/60/156368360.db2.gz ZWNCJFSLLVZMBM-XHSDSOJGSA-N 2 0 292.398 2.797 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cs1 ZINC000367757448 156388354 /nfs/dbraw/zinc/38/83/54/156388354.db2.gz UOGFCZPMGDRGAY-RRFJBIMHSA-N 2 0 293.480 2.710 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000486926840 292350652 /nfs/dbraw/zinc/35/06/52/292350652.db2.gz PLEOFFAQBMKVBE-HIFRSBDPSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371342299 156764017 /nfs/dbraw/zinc/76/40/17/156764017.db2.gz WSJIGVYIABUYFG-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000373911954 157047197 /nfs/dbraw/zinc/04/71/97/157047197.db2.gz OOFFOWXEDIIJSE-VBZNHOPUSA-N 2 0 299.462 2.789 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000374098891 157068077 /nfs/dbraw/zinc/06/80/77/157068077.db2.gz IAJKEKQDDMZVIR-ZWKOTPCHSA-N 2 0 295.515 2.771 20 0 CFADRP CN(C(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000374206088 157081941 /nfs/dbraw/zinc/08/19/41/157081941.db2.gz QYZDNDCLHDYGFK-UHFFFAOYSA-N 2 0 292.471 2.651 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC12CCOCC2)C(C)(C)C ZINC000374304071 157095856 /nfs/dbraw/zinc/09/58/56/157095856.db2.gz WIFASIIKRWXTFG-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP F[C@@]1(c2ccccc2)CC[N@H+](CCCn2ccnc2)C1 ZINC000374539123 157126287 /nfs/dbraw/zinc/12/62/87/157126287.db2.gz UMQFLDCGRABQRB-INIZCTEOSA-N 2 0 273.355 2.844 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000375703069 157272330 /nfs/dbraw/zinc/27/23/30/157272330.db2.gz DVTGEQUPBFICMC-FBVQUNGASA-N 2 0 288.435 2.552 20 0 CFADRP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000375751016 157279950 /nfs/dbraw/zinc/27/99/50/157279950.db2.gz QCHGFXGALIPDBI-AEFFLSMTSA-N 2 0 298.434 2.511 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000375840142 157292542 /nfs/dbraw/zinc/29/25/42/157292542.db2.gz OOIIXMQDLSVKKG-JQFCIGGWSA-N 2 0 294.389 2.970 20 0 CFADRP CC[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000376401731 157350295 /nfs/dbraw/zinc/35/02/95/157350295.db2.gz QNHZNUIGHANGKR-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423496985 292368710 /nfs/dbraw/zinc/36/87/10/292368710.db2.gz YBKUVDKQYSZEHQ-SQWLQELKSA-N 2 0 274.408 2.926 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCC[NH3+])CCCO2 ZINC000423446398 292369245 /nfs/dbraw/zinc/36/92/45/292369245.db2.gz CNWBUWITGSFAJE-UKRRQHHQSA-N 2 0 262.397 2.926 20 0 CFADRP CCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000651228327 413361346 /nfs/dbraw/zinc/36/13/46/413361346.db2.gz TXZSDYZGWOERAF-FUHWJXTLSA-N 2 0 293.499 2.713 20 0 CFADRP CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000651228329 413363339 /nfs/dbraw/zinc/36/33/39/413363339.db2.gz TXZSDYZGWOERAF-WMZOPIPTSA-N 2 0 293.499 2.713 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000261544703 286696153 /nfs/dbraw/zinc/69/61/53/286696153.db2.gz ZCIOBACGHGWGRA-RQJABVFESA-N 2 0 256.459 2.768 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660537397 413380469 /nfs/dbraw/zinc/38/04/69/413380469.db2.gz BPVMYBLIOZBTQB-XDNAFOTISA-N 2 0 293.499 2.523 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2ccncc2s1 ZINC000657285880 413395514 /nfs/dbraw/zinc/39/55/14/413395514.db2.gz ODWXJMDSPXEVLR-UHFFFAOYSA-N 2 0 277.437 2.974 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000653598036 413397796 /nfs/dbraw/zinc/39/77/96/413397796.db2.gz KAXPXIAVSWTISO-GOEBONIOSA-N 2 0 286.419 2.803 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178241993 286804127 /nfs/dbraw/zinc/80/41/27/286804127.db2.gz HXRQJUXOMGPHLB-CABCVRRESA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423075586 298384711 /nfs/dbraw/zinc/38/47/11/298384711.db2.gz OVRAIONPHLWWKD-OUAUKWLOSA-N 2 0 252.324 2.838 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423461152 298400197 /nfs/dbraw/zinc/40/01/97/298400197.db2.gz SOCHFGLOHBHPDK-OCCSQVGLSA-N 2 0 264.417 2.748 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn2c1CCC2 ZINC000657311876 413430475 /nfs/dbraw/zinc/43/04/75/413430475.db2.gz YDVJCPCQHGVCIH-HNNXBMFYSA-N 2 0 290.455 2.574 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000657310883 413430354 /nfs/dbraw/zinc/43/03/54/413430354.db2.gz QULVCSMMOSMRIX-KSZLIROESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn2c1CCC2 ZINC000657311877 413433834 /nfs/dbraw/zinc/43/38/34/413433834.db2.gz YDVJCPCQHGVCIH-OAHLLOKOSA-N 2 0 290.455 2.574 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C(=O)OC)cc1 ZINC000423230617 286901221 /nfs/dbraw/zinc/90/12/21/286901221.db2.gz JSHMPKOHQURYEV-UYSNPLJNSA-N 2 0 290.407 2.784 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]CCCC[NH+](C)C ZINC000343886742 161884977 /nfs/dbraw/zinc/88/49/77/161884977.db2.gz ISECCDYKDSLPKA-UHFFFAOYSA-N 2 0 265.445 2.966 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000344395905 162034785 /nfs/dbraw/zinc/03/47/85/162034785.db2.gz WPIGDNSIOZQJAG-YQQAZPJKSA-N 2 0 289.467 2.656 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000344476618 162052896 /nfs/dbraw/zinc/05/28/96/162052896.db2.gz OYWJHOGDOWGQQZ-KDOFPFPSSA-N 2 0 281.403 2.788 20 0 CFADRP C[C@@H]1C[C@H](NCc2csc(C3CC3)n2)CC[N@@H+]1C ZINC000344677016 162094057 /nfs/dbraw/zinc/09/40/57/162094057.db2.gz KEVGIIHKZVZWMV-ZYHUDNBSSA-N 2 0 265.426 2.593 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000344684185 162097287 /nfs/dbraw/zinc/09/72/87/162097287.db2.gz WUYNMBHWUDVGOT-KBPBESRZSA-N 2 0 289.423 2.560 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000345176702 162194030 /nfs/dbraw/zinc/19/40/30/162194030.db2.gz QUJRAIKNYLDEKA-UHFFFAOYSA-N 2 0 282.334 2.640 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC1CCC1 ZINC000346128293 162326797 /nfs/dbraw/zinc/32/67/97/162326797.db2.gz DMMORFIIOQBDTL-UHFFFAOYSA-N 2 0 270.380 2.808 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000346187205 162344820 /nfs/dbraw/zinc/34/48/20/162344820.db2.gz LIGRDVYZFXWHBK-WBVHZDCISA-N 2 0 285.435 2.961 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(CC[NH2+]C)CC2)CCO1 ZINC000346694262 162490496 /nfs/dbraw/zinc/49/04/96/162490496.db2.gz TWGBLPYIFMTSHB-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000347080153 162597446 /nfs/dbraw/zinc/59/74/46/162597446.db2.gz XCHCKYUTZKRGFA-AWEZNQCLSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347090433 162598775 /nfs/dbraw/zinc/59/87/75/162598775.db2.gz GCANYRRHGNRKNH-YPMHNXCESA-N 2 0 284.350 2.847 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347105059 162602298 /nfs/dbraw/zinc/60/22/98/162602298.db2.gz MRBYYEURKGSZHP-CQSZACIVSA-N 2 0 298.434 2.944 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(COC)cs2)C1 ZINC000657324589 413451024 /nfs/dbraw/zinc/45/10/24/413451024.db2.gz DWOQQTSVYDPEQV-ZDUSSCGKSA-N 2 0 282.453 2.716 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccsc1 ZINC000349698668 163004349 /nfs/dbraw/zinc/00/43/49/163004349.db2.gz ZMAGLSXLRATTLK-ZDUSSCGKSA-N 2 0 270.442 2.757 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)C1CCCC1 ZINC000349716692 163007030 /nfs/dbraw/zinc/00/70/30/163007030.db2.gz ADVSIAIWHBKABF-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CCC(OC)CC2)[C@H](C)C1 ZINC000349724445 163008082 /nfs/dbraw/zinc/00/80/82/163008082.db2.gz UJOVRVLQLDUDOS-VXLLPVPCSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000350017956 163052703 /nfs/dbraw/zinc/05/27/03/163052703.db2.gz UGWNQIONWUHVIW-WBVHZDCISA-N 2 0 282.472 2.713 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)ccc1C ZINC000350273145 163070648 /nfs/dbraw/zinc/07/06/48/163070648.db2.gz ZJARXJRVSXIPAF-UHFFFAOYSA-N 2 0 278.440 2.751 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCSC(C)(C)C1 ZINC000350724926 163100580 /nfs/dbraw/zinc/10/05/80/163100580.db2.gz QGNFKJBJEHQARW-CYBMUJFWSA-N 2 0 256.459 2.688 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000350870235 163110943 /nfs/dbraw/zinc/11/09/43/163110943.db2.gz MRPULQJFAUCFJG-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H](C)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000351001910 163114893 /nfs/dbraw/zinc/11/48/93/163114893.db2.gz YUZLXEJZQAPKTG-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000351445516 163128733 /nfs/dbraw/zinc/12/87/33/163128733.db2.gz QOVICUPZIKLUCU-QZTJIDSGSA-N 2 0 290.451 2.915 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOc3cccc(Cl)c3)C[C@@H]12 ZINC000351475218 163131457 /nfs/dbraw/zinc/13/14/57/163131457.db2.gz HZEMVCOOXYHVHS-APHBMKBZSA-N 2 0 294.826 2.778 20 0 CFADRP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000351522159 163139160 /nfs/dbraw/zinc/13/91/60/163139160.db2.gz XGVXZBVEZUYPEP-IRXDYDNUSA-N 2 0 282.472 2.732 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCC1 ZINC000660643145 413455563 /nfs/dbraw/zinc/45/55/63/413455563.db2.gz WRWDKXIGKCOWFY-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000352779952 163233263 /nfs/dbraw/zinc/23/32/63/163233263.db2.gz MVTWUJPCXZQCOR-VQTKUKTRSA-N 2 0 280.362 2.909 20 0 CFADRP CCc1cnc(C[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000353208253 163318179 /nfs/dbraw/zinc/31/81/79/163318179.db2.gz JCEDLQMGBQKMDB-UHFFFAOYSA-N 2 0 299.509 2.623 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353506431 163381181 /nfs/dbraw/zinc/38/11/81/163381181.db2.gz YHJYWCMLJIAZQN-JEYLPNPQSA-N 2 0 276.424 2.786 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000353552482 163393148 /nfs/dbraw/zinc/39/31/48/163393148.db2.gz YJQXKTFVOVDTQG-HUUCEWRRSA-N 2 0 275.440 2.597 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353564383 163395297 /nfs/dbraw/zinc/39/52/97/163395297.db2.gz CCUDUFDORYCZKP-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP Cc1ccc(C(C)(C)[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000353568525 163397450 /nfs/dbraw/zinc/39/74/50/163397450.db2.gz JVFBQWLXRONEIJ-OAHLLOKOSA-N 2 0 261.413 2.699 20 0 CFADRP CN(CCC[N@H+](C)Cc1ccco1)CC[C@@H]1CCC[NH+]1C ZINC000353579842 163399624 /nfs/dbraw/zinc/39/96/24/163399624.db2.gz XLNROLXUAJNOMO-INIZCTEOSA-N 2 0 293.455 2.518 20 0 CFADRP C[C@@H]([NH2+]C/C=C\c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423165028 287009427 /nfs/dbraw/zinc/00/94/27/287009427.db2.gz XPGNTYVWQXZVBQ-OTDNITJGSA-N 2 0 295.224 2.660 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCSCC1 ZINC000355135311 287020314 /nfs/dbraw/zinc/02/03/14/287020314.db2.gz PMAWVBAMUYLMHN-CYBMUJFWSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CC1(C)C ZINC000487190349 287020334 /nfs/dbraw/zinc/02/03/34/287020334.db2.gz UPCUONIQPXOGPX-IUODEOHRSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000277980400 287020610 /nfs/dbraw/zinc/02/06/10/287020610.db2.gz BLIMMTRYFIAJDQ-CYBMUJFWSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCC[C@H]1C ZINC000449303420 287028185 /nfs/dbraw/zinc/02/81/85/287028185.db2.gz MCIDVDSIUUVDIP-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423159057 287062193 /nfs/dbraw/zinc/06/21/93/287062193.db2.gz OOSCBRFBBVJIEX-VMGRFDJRSA-N 2 0 272.392 2.630 20 0 CFADRP Cc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653735 413473041 /nfs/dbraw/zinc/47/30/41/413473041.db2.gz VJRCLNULLGDTFI-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCOc1ccccc1)C2 ZINC000660655034 413474330 /nfs/dbraw/zinc/47/43/30/413474330.db2.gz KEWJMHJKTGPPLJ-SFHVURJKSA-N 2 0 288.435 2.873 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC1(C)C ZINC000284360304 196039078 /nfs/dbraw/zinc/03/90/78/196039078.db2.gz NUFNTMYNBPESDF-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000284376958 196043001 /nfs/dbraw/zinc/04/30/01/196043001.db2.gz OOAOXBPSZZRVTR-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP CC1(C)CC([NH2+]C2CCC3(CC2)OCCO3)CC(C)(C)[NH2+]1 ZINC000020143392 171029257 /nfs/dbraw/zinc/02/92/57/171029257.db2.gz DAFMHKKBQXNFIH-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP c1ccc(CC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000020270217 171125989 /nfs/dbraw/zinc/12/59/89/171125989.db2.gz ZLFCILDRNPMXIL-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccn1C ZINC000020359822 171158801 /nfs/dbraw/zinc/15/88/01/171158801.db2.gz FGBDATIQBXTCRV-CQSZACIVSA-N 2 0 251.418 2.625 20 0 CFADRP C[C@@H](c1ccncc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659020 413478213 /nfs/dbraw/zinc/47/82/13/413478213.db2.gz LYMRTYQMSGNPNQ-HOCLYGCPSA-N 2 0 259.397 2.560 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCc1cccc(F)c1F)C2 ZINC000660664146 413482563 /nfs/dbraw/zinc/48/25/63/413482563.db2.gz QFPOZLCZHDCIHT-KRWDZBQOSA-N 2 0 294.389 2.925 20 0 CFADRP c1ccc(C[NH2+]C2CC[NH+](CC[C@H]3CCCO3)CC2)cc1 ZINC000660678037 413491427 /nfs/dbraw/zinc/49/14/27/413491427.db2.gz PXWUQLBFSYOHOE-GOSISDBHSA-N 2 0 288.435 2.810 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000651484433 413495617 /nfs/dbraw/zinc/49/56/17/413495617.db2.gz AVRVYLMEGWLHDP-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP c1nc2n(c1C[NH2+]Cc1coc3ccccc13)CCC2 ZINC000657361467 413501411 /nfs/dbraw/zinc/50/14/11/413501411.db2.gz NCZDJNQVJFZRRD-UHFFFAOYSA-N 2 0 267.332 2.865 20 0 CFADRP CC(C)([NH2+]Cc1cnc2n1CCC2)c1cccc(F)c1 ZINC000657368309 413508664 /nfs/dbraw/zinc/50/86/64/413508664.db2.gz NVTBPKRJPIYZDG-UHFFFAOYSA-N 2 0 273.355 2.993 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000653808862 413509575 /nfs/dbraw/zinc/50/95/75/413509575.db2.gz DFPWIXKLZJQGLI-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)CO1 ZINC000657382324 413531151 /nfs/dbraw/zinc/53/11/51/413531151.db2.gz JYHDBVAMZZHNAT-GJZGRUSLSA-N 2 0 256.434 2.652 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)CO1 ZINC000657382327 413531170 /nfs/dbraw/zinc/53/11/70/413531170.db2.gz JYHDBVAMZZHNAT-HUUCEWRRSA-N 2 0 256.434 2.652 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660758687 413542229 /nfs/dbraw/zinc/54/22/29/413542229.db2.gz ASKXGVQOWNCUPS-NVXWUHKLSA-N 2 0 294.483 2.639 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](CC)CC)[C@H]1CCCCO1 ZINC000653875048 413556805 /nfs/dbraw/zinc/55/68/05/413556805.db2.gz OPPGKOGUCYRGDK-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651678933 413566766 /nfs/dbraw/zinc/56/67/66/413566766.db2.gz IZOKCFJRENVXKM-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000651682394 413566952 /nfs/dbraw/zinc/56/69/52/413566952.db2.gz YCWQQQGZRZTAQU-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@]2(C)CC)CC1 ZINC000651677811 413564765 /nfs/dbraw/zinc/56/47/65/413564765.db2.gz VPLNQOZNKZZBMY-IKGGRYGDSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651679317 413565748 /nfs/dbraw/zinc/56/57/48/413565748.db2.gz XCEPZMXTCFOULQ-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP c1nc2n(c1C[NH2+]CC1(Cc3ccccc3)CC1)CCC2 ZINC000657412915 413569169 /nfs/dbraw/zinc/56/91/69/413569169.db2.gz KLTKTZLSBVQMGS-UHFFFAOYSA-N 2 0 281.403 2.942 20 0 CFADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000285343904 196255495 /nfs/dbraw/zinc/25/54/95/196255495.db2.gz DBGOHUISQFMFGY-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705960 413583469 /nfs/dbraw/zinc/58/34/69/413583469.db2.gz NVDSXQAMTOJURR-SJLPKXTDSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651692941 413575206 /nfs/dbraw/zinc/57/52/06/413575206.db2.gz WWXWOWDTIDPYCR-OAHLLOKOSA-N 2 0 272.436 2.997 20 0 CFADRP Cc1cnn(-c2cc[nH+]cc2NCc2nccn2C(C)C)c1 ZINC000657415701 413575707 /nfs/dbraw/zinc/57/57/07/413575707.db2.gz GOERJPNOUFYINR-UHFFFAOYSA-N 2 0 296.378 2.965 20 0 CFADRP Cc1ncc(C[NH2+]C2(CCOCc3ccccc3)CC2)n1C ZINC000657417943 413577844 /nfs/dbraw/zinc/57/78/44/413577844.db2.gz DLUCMUVXAWXIFU-UHFFFAOYSA-N 2 0 299.418 2.958 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c(C)c1 ZINC000657470288 413646644 /nfs/dbraw/zinc/64/66/44/413646644.db2.gz PAXMKZBDQRAMLJ-AWEZNQCLSA-N 2 0 285.391 2.764 20 0 CFADRP CN(Cc1cc2cnccc2o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000651805935 413648839 /nfs/dbraw/zinc/64/88/39/413648839.db2.gz JTVMUNWBAJFYSS-YIONKMFJSA-N 2 0 285.391 2.885 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000651829207 413672960 /nfs/dbraw/zinc/67/29/60/413672960.db2.gz TZWKXVIWCWPRBY-CQSZACIVSA-N 2 0 275.396 2.875 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CCC3CCC3)CC2)CC1 ZINC000660832993 413607024 /nfs/dbraw/zinc/60/70/24/413607024.db2.gz CNVMHORCXTVMET-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CCC=C(C)C)CC2)CC1 ZINC000660833091 413607460 /nfs/dbraw/zinc/60/74/60/413607460.db2.gz DHCRJWPKLHTBEB-UHFFFAOYSA-N 2 0 293.499 2.835 20 0 CFADRP Fc1cccc2c1OCC[C@H]2NCc1cnc2n1CCC2 ZINC000657442222 413611408 /nfs/dbraw/zinc/61/14/08/413611408.db2.gz QHQUKIQJHTVYCG-CQSZACIVSA-N 2 0 287.338 2.582 20 0 CFADRP CCC1(CC)CCC([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000651749971 413614991 /nfs/dbraw/zinc/61/49/91/413614991.db2.gz QONFIKHXUCLYOO-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1c[nH]c(CN[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000657447087 413616092 /nfs/dbraw/zinc/61/60/92/413616092.db2.gz PAAVUFSUOXYGHP-RHSMWYFYSA-N 2 0 286.423 2.808 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000651864770 413685856 /nfs/dbraw/zinc/68/58/56/413685856.db2.gz DEVZGZRGQGGVQF-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP COC1(C[NH2+]CCC[N@H+](C)CC(C)C)CCCC1 ZINC000651866212 413688266 /nfs/dbraw/zinc/68/82/66/413688266.db2.gz ZEFCDKIVQGJHFH-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CCc1ccc2[nH+]ccc(N(C)CC3C[NH+](C)C3)c2c1 ZINC000664330320 413695040 /nfs/dbraw/zinc/69/50/40/413695040.db2.gz ODASLFARMHUBSO-UHFFFAOYSA-N 2 0 269.392 2.795 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000657524785 413700978 /nfs/dbraw/zinc/70/09/78/413700978.db2.gz LRYVKWWWJCUQPK-DOTOQJQBSA-N 2 0 287.451 2.728 20 0 CFADRP CC(C)(C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535616 413718300 /nfs/dbraw/zinc/71/83/00/413718300.db2.gz QAMIKKFUDBNYNO-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC1(C)C ZINC000657537811 413722084 /nfs/dbraw/zinc/72/20/84/413722084.db2.gz UGZJPLMWEVRGNY-PBHICJAKSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](COCC1CC1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000651983246 413759328 /nfs/dbraw/zinc/75/93/28/413759328.db2.gz UOTFZHABPFJROH-CYBMUJFWSA-N 2 0 268.445 2.654 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657574172 413763616 /nfs/dbraw/zinc/76/36/16/413763616.db2.gz FMTQLELDIVYVKK-CABCVRRESA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)CCC[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596556 413778797 /nfs/dbraw/zinc/77/87/97/413778797.db2.gz OAFCVCXIOZOOKH-SFHVURJKSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657670074 413846001 /nfs/dbraw/zinc/84/60/01/413846001.db2.gz JQYBREIRSBEGHK-AGIUHOORSA-N 2 0 258.356 2.638 20 0 CFADRP C1C[C@H]2C[C@H](N[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C1 ZINC000657677674 413851066 /nfs/dbraw/zinc/85/10/66/413851066.db2.gz GJOIDAJHASZHEX-RYRKJORJSA-N 2 0 291.483 2.610 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCc2ccccc2)C1 ZINC000652360258 413904548 /nfs/dbraw/zinc/90/45/48/413904548.db2.gz DFPSIORIJUOUFN-KURKYZTESA-N 2 0 288.435 2.590 20 0 CFADRP C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364570 413912442 /nfs/dbraw/zinc/91/24/42/413912442.db2.gz ZTKDKYHLZJACGX-KBPBESRZSA-N 2 0 276.399 2.787 20 0 CFADRP Cc1ccnc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285588055 196335260 /nfs/dbraw/zinc/33/52/60/196335260.db2.gz JCBXADBJLDWWLZ-KGLIPLIRSA-N 2 0 259.397 2.525 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657866458 414013705 /nfs/dbraw/zinc/01/37/05/414013705.db2.gz IULAHQDWEKWXLQ-IXDOHACOSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657871022 414015247 /nfs/dbraw/zinc/01/52/47/414015247.db2.gz IAUSOOJLVAYIQA-LLVKDONJSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657870335 414016021 /nfs/dbraw/zinc/01/60/21/414016021.db2.gz CIDPVXIDYXAJLS-LBPRGKRZSA-N 2 0 273.380 2.820 20 0 CFADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661500853 414017965 /nfs/dbraw/zinc/01/79/65/414017965.db2.gz VLHYLCKOWFOTCS-IXDOHACOSA-N 2 0 282.472 2.732 20 0 CFADRP C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000661441554 413987952 /nfs/dbraw/zinc/98/79/52/413987952.db2.gz IDQVGOQQRUTSGW-QAPCUYQASA-N 2 0 299.418 2.855 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657837811 413991933 /nfs/dbraw/zinc/99/19/33/413991933.db2.gz JMKUBIFNJPVIGQ-JKSUJKDBSA-N 2 0 290.455 2.962 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657844186 413995271 /nfs/dbraw/zinc/99/52/71/413995271.db2.gz IRDIONBJSSKDTG-CQSZACIVSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657847137 413999608 /nfs/dbraw/zinc/99/96/08/413999608.db2.gz UQEDNKJJIMOYKP-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCSCC2)CC1 ZINC000657890878 414032639 /nfs/dbraw/zinc/03/26/39/414032639.db2.gz QYHDBDXFISOWSS-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCOC2)C1 ZINC000336819874 287275211 /nfs/dbraw/zinc/27/52/11/287275211.db2.gz AXANCOSXXDLEGY-IKGGRYGDSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657970619 414078336 /nfs/dbraw/zinc/07/83/36/414078336.db2.gz DQEMSOYAFDHIPT-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]([NH2+][C@H]1COC2(CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969987 414080064 /nfs/dbraw/zinc/08/00/64/414080064.db2.gz XKFTYKQBKMPKTH-HRCADAONSA-N 2 0 292.467 2.941 20 0 CFADRP CCOC1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000657973617 414083037 /nfs/dbraw/zinc/08/30/37/414083037.db2.gz YGJKVMFIDSWYNV-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000658053446 414135130 /nfs/dbraw/zinc/13/51/30/414135130.db2.gz AYUCFSAOIWACID-OAHLLOKOSA-N 2 0 281.488 2.712 20 0 CFADRP FCC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000661690037 414135561 /nfs/dbraw/zinc/13/55/61/414135561.db2.gz ICMFPIXBOQLLLO-HNNXBMFYSA-N 2 0 256.409 2.934 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658066606 414151040 /nfs/dbraw/zinc/15/10/40/414151040.db2.gz CLOHJGODINUXPJ-AWEZNQCLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc2cnccc2o1 ZINC000658019176 414105333 /nfs/dbraw/zinc/10/53/33/414105333.db2.gz KCMJYMSDTMRADE-CMPLNLGQSA-N 2 0 282.347 2.759 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc2cnccc2o1 ZINC000658019179 414105816 /nfs/dbraw/zinc/10/58/16/414105816.db2.gz KCMJYMSDTMRADE-ZYHUDNBSSA-N 2 0 282.347 2.759 20 0 CFADRP C(CC[NH2+][C@H]1COC2(CCC2)C1)CC[NH+]1CCCC1 ZINC000658024169 414109680 /nfs/dbraw/zinc/10/96/80/414109680.db2.gz ROMPSDOQNQPXAU-OAHLLOKOSA-N 2 0 266.429 2.554 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265045 414222394 /nfs/dbraw/zinc/22/23/94/414222394.db2.gz OHMAOAWMMDRDEB-AWEZNQCLSA-N 2 0 273.424 2.828 20 0 CFADRP CC[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665268048 414225013 /nfs/dbraw/zinc/22/50/13/414225013.db2.gz GOZYEZYZTGICBL-XIRDDKMYSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665267458 414227249 /nfs/dbraw/zinc/22/72/49/414227249.db2.gz WZQPBQRYLQDORU-ZOBUZTSGSA-N 2 0 279.472 2.514 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137530 414229525 /nfs/dbraw/zinc/22/95/25/414229525.db2.gz JTXIZAIOCBUEHZ-DLBZAZTESA-N 2 0 288.435 2.531 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C/C=C/CO)CC1 ZINC000658138463 414229618 /nfs/dbraw/zinc/22/96/18/414229618.db2.gz LWRMWNIJFRMIPJ-AATRIKPKSA-N 2 0 288.435 2.568 20 0 CFADRP CCCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658144773 414231850 /nfs/dbraw/zinc/23/18/50/414231850.db2.gz OCRZQMCDAVCVFG-QAPCUYQASA-N 2 0 290.451 2.922 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658145261 414232851 /nfs/dbraw/zinc/23/28/51/414232851.db2.gz QXBSKTOAXQUEGD-DAYGRLMNSA-N 2 0 290.451 2.777 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)COCC2CC2)CC1 ZINC000658090045 414185407 /nfs/dbraw/zinc/18/54/07/414185407.db2.gz DSVKPYNPYVUGLG-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234570 414191505 /nfs/dbraw/zinc/19/15/05/414191505.db2.gz GFKZFFDBPSBKGT-BPLDGKMQSA-N 2 0 293.842 2.636 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665234920 414192741 /nfs/dbraw/zinc/19/27/41/414192741.db2.gz MGSMCKPDNYOMLQ-WQVCFCJDSA-N 2 0 264.388 2.877 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000665232066 414194402 /nfs/dbraw/zinc/19/44/02/414194402.db2.gz FENDRGROPKKIBY-STQMWFEESA-N 2 0 284.407 2.698 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239394 414196349 /nfs/dbraw/zinc/19/63/49/414196349.db2.gz SNFWZTXDLKGGGE-YOEHRIQHSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237863 414196394 /nfs/dbraw/zinc/19/63/94/414196394.db2.gz LIDHXRYGLLCMCV-IUODEOHRSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(F)c1 ZINC000658110464 414210980 /nfs/dbraw/zinc/21/09/80/414210980.db2.gz XRRNBNVXZWLAHP-LSDHHAIUSA-N 2 0 295.446 2.748 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263129 414219879 /nfs/dbraw/zinc/21/98/79/414219879.db2.gz GOTYRBKTYADPRA-SYEQVDHESA-N 2 0 273.424 2.936 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(F)c1 ZINC000665279730 414242546 /nfs/dbraw/zinc/24/25/46/414242546.db2.gz KOTILUDMVBNTFQ-IAQYHMDHSA-N 2 0 268.376 2.858 20 0 CFADRP c1ccc([C@@H]2CC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279348 414242692 /nfs/dbraw/zinc/24/26/92/414242692.db2.gz APNTUIDXRUHGBR-YTWPKEEVSA-N 2 0 256.393 2.664 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281374 414244180 /nfs/dbraw/zinc/24/41/80/414244180.db2.gz ANOWVIDCBFKWEX-BMFZPTHFSA-N 2 0 264.413 2.726 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665280371 414244500 /nfs/dbraw/zinc/24/45/00/414244500.db2.gz ZWUKRFFQCVQXMO-IUODEOHRSA-N 2 0 250.386 2.719 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1F ZINC000665280970 414244982 /nfs/dbraw/zinc/24/49/82/414244982.db2.gz QRQLMOPFAUXKLM-SMDDNHRTSA-N 2 0 268.376 2.858 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000665281105 414245251 /nfs/dbraw/zinc/24/52/51/414245251.db2.gz USIWFDHCHAMYJK-MLGOLLRUSA-N 2 0 262.397 2.741 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000665281550 414245498 /nfs/dbraw/zinc/24/54/98/414245498.db2.gz GQOSLRBWBKQOMZ-KLHDSHLOSA-N 2 0 268.445 2.545 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000665283279 414247243 /nfs/dbraw/zinc/24/72/43/414247243.db2.gz KNVSZNMYTPLWIF-OWCLPIDISA-N 2 0 268.445 2.831 20 0 CFADRP COc1cccc(C2([NH2+][C@@H](C)C[C@H](C)[NH3+])CCC2)c1 ZINC000665283352 414247337 /nfs/dbraw/zinc/24/73/37/414247337.db2.gz MIVAZQXAGOEOKR-STQMWFEESA-N 2 0 262.397 2.790 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000665282179 414247372 /nfs/dbraw/zinc/24/73/72/414247372.db2.gz SINIITJTRJBJIG-CVEARBPZSA-N 2 0 261.413 2.886 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)C1CCCCC1 ZINC000665282816 414247680 /nfs/dbraw/zinc/24/76/80/414247680.db2.gz CHOYRMGEEPRCFG-BFJAYTPKSA-N 2 0 268.445 2.545 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000665283093 414247873 /nfs/dbraw/zinc/24/78/73/414247873.db2.gz HLXORHCUMPOMRX-VXGBXAGGSA-N 2 0 288.313 2.787 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000665281572 414248637 /nfs/dbraw/zinc/24/86/37/414248637.db2.gz GZDQXSWIDPIYEQ-ILXRZTDVSA-N 2 0 268.445 2.687 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)C1CCCCC1 ZINC000665283129 414249146 /nfs/dbraw/zinc/24/91/46/414249146.db2.gz HUKKZHNFGQXUAD-UKRRQHHQSA-N 2 0 256.434 2.546 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2ccco2)c2ccccc21 ZINC000665283138 414249917 /nfs/dbraw/zinc/24/99/17/414249917.db2.gz IERBEXPHHVJGRJ-HZPDHXFCSA-N 2 0 256.349 2.947 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000665283824 414252134 /nfs/dbraw/zinc/25/21/34/414252134.db2.gz VRPDDBRYPCLKPS-YYIAUSFCSA-N 2 0 280.456 2.559 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661835905 414252331 /nfs/dbraw/zinc/25/23/31/414252331.db2.gz AXWCJCRIOUNAIP-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000658170953 414262052 /nfs/dbraw/zinc/26/20/52/414262052.db2.gz WENIFSIYEJGSDB-YCPHGPKFSA-N 2 0 268.445 2.654 20 0 CFADRP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665300092 414273894 /nfs/dbraw/zinc/27/38/94/414273894.db2.gz YGFGXEHSGFKOKM-NQBHXWOUSA-N 2 0 299.340 2.578 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC(F)(F)F ZINC000665301142 414274758 /nfs/dbraw/zinc/27/47/58/414274758.db2.gz PCRMUWLSFVHHEK-VHSXEESVSA-N 2 0 252.324 2.825 20 0 CFADRP COCc1csc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000658209785 414285471 /nfs/dbraw/zinc/28/54/71/414285471.db2.gz SLWZCBMRDKATBK-GFCCVEGCSA-N 2 0 282.453 2.714 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661874476 414286667 /nfs/dbraw/zinc/28/66/67/414286667.db2.gz JCPOQGJSZQIOQB-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000658224725 414295409 /nfs/dbraw/zinc/29/54/09/414295409.db2.gz QUKNGMUNKBXFBV-ZDUSSCGKSA-N 2 0 260.372 2.884 20 0 CFADRP C1CC1[NH+]1CCC(N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658229259 414300642 /nfs/dbraw/zinc/30/06/42/414300642.db2.gz BETSMTPFMZEYDU-INIZCTEOSA-N 2 0 291.483 2.610 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(OC(F)F)c1 ZINC000037715178 173633773 /nfs/dbraw/zinc/63/37/73/173633773.db2.gz VHHQDJFKYXZTQV-SNVBAGLBSA-N 2 0 258.312 2.678 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000658236493 414307402 /nfs/dbraw/zinc/30/74/02/414307402.db2.gz IYNYVVIKDXHZSZ-DGCLKSJQSA-N 2 0 289.379 2.668 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCC(F)CC1 ZINC000662001460 414353187 /nfs/dbraw/zinc/35/31/87/414353187.db2.gz NJBNEMQAISJCOW-XSCHDIRWSA-N 2 0 256.409 2.977 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCC(F)CC1 ZINC000662001458 414353351 /nfs/dbraw/zinc/35/33/51/414353351.db2.gz NJBNEMQAISJCOW-URGYJCLVSA-N 2 0 256.409 2.977 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000658314689 414369549 /nfs/dbraw/zinc/36/95/49/414369549.db2.gz JMHUNBJRUIYZSL-GPANFISMSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)C[NH+]1CCCCC1 ZINC000655698154 414372030 /nfs/dbraw/zinc/37/20/30/414372030.db2.gz XWDSQZNVUASDOB-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000658328931 414378575 /nfs/dbraw/zinc/37/85/75/414378575.db2.gz IFXRCFAWCNCOMG-NUEKZKHPSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655704657 414379688 /nfs/dbraw/zinc/37/96/88/414379688.db2.gz HKSVRTWWTDATSI-TZMCWYRMSA-N 2 0 256.459 2.733 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C2CCC2)C1 ZINC000662041777 414382228 /nfs/dbraw/zinc/38/22/28/414382228.db2.gz CGOQNQDSYQDZAE-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000655839566 414472463 /nfs/dbraw/zinc/47/24/63/414472463.db2.gz SZOORGGRLXDDPF-ZQDZILKHSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CS1 ZINC000655764759 414419702 /nfs/dbraw/zinc/41/97/02/414419702.db2.gz QVEQXVQOGRUFRW-DNDYEEKYSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CCCCC1 ZINC000662149447 414430059 /nfs/dbraw/zinc/43/00/59/414430059.db2.gz PCBQNKDZOIAKLV-CRAIPNDOSA-N 2 0 294.483 2.734 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247327 414473324 /nfs/dbraw/zinc/47/33/24/414473324.db2.gz XCXFXMCZWYGZEP-CWRNSKLLSA-N 2 0 268.445 2.641 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805078 414448660 /nfs/dbraw/zinc/44/86/60/414448660.db2.gz BGWUNSLITRKANB-ZENOOKHLSA-N 2 0 274.408 2.612 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)oc1C ZINC000655804054 414448924 /nfs/dbraw/zinc/44/89/24/414448924.db2.gz NPENPKYWJCXEMJ-FPMFFAJLSA-N 2 0 250.386 2.887 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000655804261 414449462 /nfs/dbraw/zinc/44/94/62/414449462.db2.gz RERAVNIOIBGPLQ-AEGPPILISA-N 2 0 292.471 2.937 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806103 414451344 /nfs/dbraw/zinc/45/13/44/414451344.db2.gz PFNGRMWPPBELDK-VBQJREDUSA-N 2 0 258.409 2.912 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000655805375 414451356 /nfs/dbraw/zinc/45/13/56/414451356.db2.gz MVBDZLMDGNAFFT-BDDJCUOMSA-N 2 0 258.409 2.862 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247329 414473585 /nfs/dbraw/zinc/47/35/85/414473585.db2.gz XCXFXMCZWYGZEP-FVQBIDKESA-N 2 0 268.445 2.641 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826503 414462887 /nfs/dbraw/zinc/46/28/87/414462887.db2.gz GQOIZJVHCUTPBL-CAOSSQGBSA-N 2 0 250.430 2.909 20 0 CFADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000655827024 414464438 /nfs/dbraw/zinc/46/44/38/414464438.db2.gz NLTMSZPBGDTTET-KDYLLFBJSA-N 2 0 298.434 2.517 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000655827319 414464579 /nfs/dbraw/zinc/46/45/79/414464579.db2.gz RQKSBTVOXJEANA-AKAXFMLLSA-N 2 0 269.392 2.665 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000655832817 414466763 /nfs/dbraw/zinc/46/67/63/414466763.db2.gz AGGURZTVXSJKJS-JONQDZQNSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662243485 414471112 /nfs/dbraw/zinc/47/11/12/414471112.db2.gz CIPCHAMKYCWZLD-QWHCGFSZSA-N 2 0 289.448 2.898 20 0 CFADRP C[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1[NH3+] ZINC000662242510 414471644 /nfs/dbraw/zinc/47/16/44/414471644.db2.gz ALIXXZYGBSSWMI-AAEUAGOBSA-N 2 0 275.421 2.508 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000658354460 414401214 /nfs/dbraw/zinc/40/12/14/414401214.db2.gz CWHCWKRHOMNOGT-IRXDYDNUSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nccn1C ZINC000658356066 414401663 /nfs/dbraw/zinc/40/16/63/414401663.db2.gz MOJFFSFOOUIYAO-INIZCTEOSA-N 2 0 290.455 2.583 20 0 CFADRP C[N@H+](CCOc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662249204 414475698 /nfs/dbraw/zinc/47/56/98/414475698.db2.gz JMEQTBDLLZEBGZ-UHFFFAOYSA-N 2 0 296.414 2.843 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)c(C)c1 ZINC000662250612 414476067 /nfs/dbraw/zinc/47/60/67/414476067.db2.gz JIRJQVXORQSBKG-HOTGVXAUSA-N 2 0 288.435 2.817 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCO1 ZINC000655847376 414477501 /nfs/dbraw/zinc/47/75/01/414477501.db2.gz AJKYHTLENBWDMC-IRXDYDNUSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](Cc1cccc(O)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000662250665 414477485 /nfs/dbraw/zinc/47/74/85/414477485.db2.gz LHMGKYIQNZMJFQ-UHFFFAOYSA-N 2 0 282.387 2.670 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC1CCCCC1 ZINC000662253610 414478422 /nfs/dbraw/zinc/47/84/22/414478422.db2.gz VBEILLDJIVKDEQ-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255370 414478696 /nfs/dbraw/zinc/47/86/96/414478696.db2.gz OVEKLGVCGSZICI-NVXWUHKLSA-N 2 0 286.419 2.517 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254556 414479529 /nfs/dbraw/zinc/47/95/29/414479529.db2.gz JPCHLRMGYIQNHO-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000655850010 414479873 /nfs/dbraw/zinc/47/98/73/414479873.db2.gz BEEAQNZNXQLHBS-JYJNAYRXSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)C[N@H+](Cc2cccc3c2CC[NH2+]C3)C(C)(C)CO1 ZINC000662254735 414480158 /nfs/dbraw/zinc/48/01/58/414480158.db2.gz KNTCGFQBCOMLOR-UHFFFAOYSA-N 2 0 288.435 2.722 20 0 CFADRP CC(C)(C)C[N@H+](CCCO)Cc1cccc2c1CC[NH2+]C2 ZINC000662255819 414480244 /nfs/dbraw/zinc/48/02/44/414480244.db2.gz DVOHJWYRWYXPLJ-UHFFFAOYSA-N 2 0 290.451 2.563 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000662267464 414483333 /nfs/dbraw/zinc/48/33/33/414483333.db2.gz VWXCNWQLICBCLU-YLFCFFPRSA-N 2 0 280.456 2.641 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662265663 414484356 /nfs/dbraw/zinc/48/43/56/414484356.db2.gz HQYGKBAVAXDUAN-YVECIDJPSA-N 2 0 260.372 2.727 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1nsc2ccccc21 ZINC000662266437 414484403 /nfs/dbraw/zinc/48/44/03/414484403.db2.gz ZCDSTHHMOBZGJZ-NWDGAFQWSA-N 2 0 275.421 2.508 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662265646 414484615 /nfs/dbraw/zinc/48/46/15/414484615.db2.gz HQYGKBAVAXDUAN-MROQNXINSA-N 2 0 260.372 2.727 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000662274062 414490232 /nfs/dbraw/zinc/49/02/32/414490232.db2.gz SZDKQFBURQITAO-MSOLQXFVSA-N 2 0 288.435 2.696 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000662274254 414490520 /nfs/dbraw/zinc/49/05/20/414490520.db2.gz GXJNNHGLARWLED-OKZBNKHCSA-N 2 0 288.435 2.696 20 0 CFADRP CO[C@H](CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000662274693 414490617 /nfs/dbraw/zinc/49/06/17/414490617.db2.gz KRKGLKWXHNRFOY-BRWVUGGUSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](CC(F)F)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662274904 414490745 /nfs/dbraw/zinc/49/07/45/414490745.db2.gz YIHQBNCKTHXFKZ-GFCCVEGCSA-N 2 0 260.372 2.743 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662276005 414490922 /nfs/dbraw/zinc/49/09/22/414490922.db2.gz GVOJUWVMWMUYBS-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276032 414491159 /nfs/dbraw/zinc/49/11/59/414491159.db2.gz IPVYZWWOJCKIBU-UHDSXZAQSA-N 2 0 262.441 2.887 20 0 CFADRP Clc1ccccc1CN(CC1CC1)C[C@H]1C[NH2+]CCO1 ZINC000662279065 414492670 /nfs/dbraw/zinc/49/26/70/414492670.db2.gz FKIDJLFALGUXNE-OAHLLOKOSA-N 2 0 294.826 2.540 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1nsc2ccccc21 ZINC000662282303 414494264 /nfs/dbraw/zinc/49/42/64/414494264.db2.gz FVNZFIVQAMWMOI-TZMCWYRMSA-N 2 0 275.421 2.698 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccn1 ZINC000662282269 414494309 /nfs/dbraw/zinc/49/43/09/414494309.db2.gz OEIYBJWZEOKUFK-CYBMUJFWSA-N 2 0 267.376 2.578 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662282968 414494435 /nfs/dbraw/zinc/49/44/35/414494435.db2.gz FOODNXWAVCCPFB-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H]1CC[N@H+](CCc2nsc3ccccc32)C[C@H]1C[NH3+] ZINC000662283453 414494612 /nfs/dbraw/zinc/49/46/12/414494612.db2.gz TZQALXHUYGAULV-QWHCGFSZSA-N 2 0 289.448 2.756 20 0 CFADRP CO[C@@H](C[N@@H+]1CC2CCC1(C[NH3+])CC2)C1CCCCC1 ZINC000662282582 414494959 /nfs/dbraw/zinc/49/49/59/414494959.db2.gz CUIJRJVRWGDARX-WIHSUSGWSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccn1 ZINC000662282271 414495031 /nfs/dbraw/zinc/49/50/31/414495031.db2.gz OEIYBJWZEOKUFK-ZDUSSCGKSA-N 2 0 267.376 2.578 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCC3CCC3)CC2)C1 ZINC000662281849 414495203 /nfs/dbraw/zinc/49/52/03/414495203.db2.gz QCLMLZZIWMJFON-DLBZAZTESA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC000662282215 414495335 /nfs/dbraw/zinc/49/53/35/414495335.db2.gz NVFQRORKCPGINX-CYBMUJFWSA-N 2 0 267.376 2.578 20 0 CFADRP [NH3+]CCC1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662284640 414495547 /nfs/dbraw/zinc/49/55/47/414495547.db2.gz NZRIINJYERBZHS-UHFFFAOYSA-N 2 0 289.448 2.900 20 0 CFADRP FCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291374 414496624 /nfs/dbraw/zinc/49/66/24/414496624.db2.gz FYNMRNVZCLQVAB-OAHLLOKOSA-N 2 0 256.409 2.838 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)noc2c1 ZINC000655941479 414497283 /nfs/dbraw/zinc/49/72/83/414497283.db2.gz VHDKHBJKQJTVNG-HUUCEWRRSA-N 2 0 299.418 2.692 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292405 414497439 /nfs/dbraw/zinc/49/74/39/414497439.db2.gz FHVKJABMKWTEFE-HNNXBMFYSA-N 2 0 293.480 2.706 20 0 CFADRP CCCCOCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293388 414497513 /nfs/dbraw/zinc/49/75/13/414497513.db2.gz RJKKCRPONHBJDE-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@@H](c1ccncc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293973 414497599 /nfs/dbraw/zinc/49/75/99/414497599.db2.gz VPHYJEYGPGOMKN-YOEHRIQHSA-N 2 0 273.424 2.854 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H]1CCCCO1 ZINC000662294629 414498252 /nfs/dbraw/zinc/49/82/52/414498252.db2.gz RLHCZNBLJGYVIR-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000662301931 414501488 /nfs/dbraw/zinc/50/14/88/414501488.db2.gz IOVFBXJZQHERQW-DOMZBBRYSA-N 2 0 250.361 2.722 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1F ZINC000662306811 414502426 /nfs/dbraw/zinc/50/24/26/414502426.db2.gz TVGIPLFLBMHESB-BBRMVZONSA-N 2 0 292.398 2.971 20 0 CFADRP CCC[N@@H+](Cc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662316571 414505352 /nfs/dbraw/zinc/50/53/52/414505352.db2.gz VUYPLWFIEPJGHV-OAHLLOKOSA-N 2 0 292.398 2.559 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC000662324148 414507019 /nfs/dbraw/zinc/50/70/19/414507019.db2.gz VHXOKNXZPJDNEH-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CC1(C)C ZINC000662331599 414508671 /nfs/dbraw/zinc/50/86/71/414508671.db2.gz OBGLLMCGZDKMKV-INIZCTEOSA-N 2 0 258.409 2.810 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3CC[C@@H]2CC[NH2+]C2)cc1 ZINC000662328958 414508965 /nfs/dbraw/zinc/50/89/65/414508965.db2.gz XMHYRLMEXRKVMF-UQPPLGOBSA-N 2 0 256.393 2.607 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3CC[C@H]2CCC[NH2+]C2)cc1 ZINC000662328962 414509188 /nfs/dbraw/zinc/50/91/88/414509188.db2.gz XNIZCKMEDAHXKQ-KLHKWILBSA-N 2 0 270.420 2.997 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C[C@H]2CC2(C)C)cc1 ZINC000662331997 414509672 /nfs/dbraw/zinc/50/96/72/414509672.db2.gz RJPFWJSDWZNPTF-LSDHHAIUSA-N 2 0 276.424 2.715 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000656193108 414529779 /nfs/dbraw/zinc/52/97/79/414529779.db2.gz PBYKDPOJACUZTG-GJZGRUSLSA-N 2 0 250.361 2.618 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C1 ZINC000656199094 414533835 /nfs/dbraw/zinc/53/38/35/414533835.db2.gz LIHFIIRECKBFBN-WDEREUQCSA-N 2 0 286.778 2.717 20 0 CFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000662421548 414538849 /nfs/dbraw/zinc/53/88/49/414538849.db2.gz KDIGZBPRHJQYKK-STQMWFEESA-N 2 0 277.412 2.656 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659847758 414584453 /nfs/dbraw/zinc/58/44/53/414584453.db2.gz QVBFZNSGDMKEPA-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000360967244 270304655 /nfs/dbraw/zinc/30/46/55/270304655.db2.gz WFVOPJIWBKREOE-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3COC(C)(C)C3)C2)CC1 ZINC000659864268 414594569 /nfs/dbraw/zinc/59/45/69/414594569.db2.gz LAEVQMSUHBZRIQ-IRXDYDNUSA-N 2 0 294.483 2.998 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@H]3COC(C)(C)C3)C2)CC1 ZINC000659864265 414595136 /nfs/dbraw/zinc/59/51/36/414595136.db2.gz LAEVQMSUHBZRIQ-IAGOWNOFSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000662730766 414600571 /nfs/dbraw/zinc/60/05/71/414600571.db2.gz OZBXVTNOZYHFFS-HZPDHXFCSA-N 2 0 297.487 2.554 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659876194 414602545 /nfs/dbraw/zinc/60/25/45/414602545.db2.gz CKGCGLPRLFLDEH-GDBMZVCRSA-N 2 0 268.445 2.606 20 0 CFADRP [NH3+]C[C@@H]1CCCc2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc21 ZINC000656560776 414608186 /nfs/dbraw/zinc/60/81/86/414608186.db2.gz HZARHWHHALZNSU-DZGCQCFKSA-N 2 0 298.390 2.540 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCCC[C@H]2O)C1 ZINC000659926604 414616436 /nfs/dbraw/zinc/61/64/36/414616436.db2.gz BGGWVRDEZQIYPO-WNRNVDISSA-N 2 0 294.483 2.876 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656275288 414558037 /nfs/dbraw/zinc/55/80/37/414558037.db2.gz WMGJVPHPMRXUDY-OAHLLOKOSA-N 2 0 296.418 2.666 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C3CCCC3)CC2)C1 ZINC000659836654 414578104 /nfs/dbraw/zinc/57/81/04/414578104.db2.gz SWKGQWODBMEOTD-CALCHBBNSA-N 2 0 293.499 2.525 20 0 CFADRP CCC[C@@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659970573 414635248 /nfs/dbraw/zinc/63/52/48/414635248.db2.gz KNFMCQQZTKMXEX-HOTGVXAUSA-N 2 0 270.461 2.590 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659973698 414637943 /nfs/dbraw/zinc/63/79/43/414637943.db2.gz FYGJULJUGFJBNA-FGTMMUONSA-N 2 0 295.515 2.628 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC2CCC2)C1 ZINC000659973783 414638999 /nfs/dbraw/zinc/63/89/99/414638999.db2.gz HJSWUNZEHSQLJE-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659974434 414639062 /nfs/dbraw/zinc/63/90/62/414639062.db2.gz MCXFQUTUZANVJZ-NXOAAHMSSA-N 2 0 262.441 2.696 20 0 CFADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656697682 414642390 /nfs/dbraw/zinc/64/23/90/414642390.db2.gz CXQSWVOSGUQCRL-HRCADAONSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000660065042 414657450 /nfs/dbraw/zinc/65/74/50/414657450.db2.gz ZUGRREUGDAUEHE-KFWWJZLASA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CCC1 ZINC000660155877 414672878 /nfs/dbraw/zinc/67/28/78/414672878.db2.gz DQGHTMFTOIPMBJ-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660117096 414664995 /nfs/dbraw/zinc/66/49/95/414664995.db2.gz MBBCMAMXGSAHQH-HVKXIDHRSA-N 2 0 292.467 2.606 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCC1CCC1 ZINC000660118278 414665222 /nfs/dbraw/zinc/66/52/22/414665222.db2.gz SZDYKRXBCQAFNG-ZACQAIPSSA-N 2 0 280.456 2.750 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000040599951 174350365 /nfs/dbraw/zinc/35/03/65/174350365.db2.gz SRRNBXBPBLMTOC-INIZCTEOSA-N 2 0 276.424 2.614 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000040599298 174350378 /nfs/dbraw/zinc/35/03/78/174350378.db2.gz JBGOFKDYZFZOOS-CQSZACIVSA-N 2 0 280.387 2.526 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(C)c1O ZINC000040622434 174354651 /nfs/dbraw/zinc/35/46/51/174354651.db2.gz PSZUQRJHHJPXRU-HNNXBMFYSA-N 2 0 276.424 2.829 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663347000 414677538 /nfs/dbraw/zinc/67/75/38/414677538.db2.gz FDLXFGPLHMAYGF-AWEZNQCLSA-N 2 0 264.438 2.960 20 0 CFADRP CCC[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663349390 414678966 /nfs/dbraw/zinc/67/89/66/414678966.db2.gz KSSXFBFJRVLANI-UHFFFAOYSA-N 2 0 258.369 2.849 20 0 CFADRP Cc1ccc(-c2cc(C[NH+]3CCC(C[NH3+])CC3)on2)cc1 ZINC000044513860 175189418 /nfs/dbraw/zinc/18/94/18/175189418.db2.gz GGGQEVNWANGHOP-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000044515643 175190074 /nfs/dbraw/zinc/19/00/74/175190074.db2.gz BJDFGKIHVYGKQF-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000044517450 175190654 /nfs/dbraw/zinc/19/06/54/175190654.db2.gz CDSIYHXUVGOASC-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044532732 175196052 /nfs/dbraw/zinc/19/60/52/175196052.db2.gz ZZYJIDVTESOJQX-CYBMUJFWSA-N 2 0 252.427 2.796 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044532819 175196175 /nfs/dbraw/zinc/19/61/75/175196175.db2.gz SBHIMVNAMYLHRO-GJZGRUSLSA-N 2 0 276.424 2.996 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000044534728 175197379 /nfs/dbraw/zinc/19/73/79/175197379.db2.gz IGWWELIJBATUPX-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000044535827 175198483 /nfs/dbraw/zinc/19/84/83/175198483.db2.gz NAHBIBJBHRYCBM-CYBMUJFWSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000045598295 175382011 /nfs/dbraw/zinc/38/20/11/175382011.db2.gz VLHVMUMHMUTSLD-TZMCWYRMSA-N 2 0 250.386 2.834 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061815952 175655779 /nfs/dbraw/zinc/65/57/79/175655779.db2.gz ODXDAZQNJYHRHX-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc2[nH]ccc21)C[NH+]1CCCC1 ZINC000070938941 176013074 /nfs/dbraw/zinc/01/30/74/176013074.db2.gz UWJOLUYHMHCXAI-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000071142418 176040091 /nfs/dbraw/zinc/04/00/91/176040091.db2.gz LCLHXHGQDLNUDP-AWEZNQCLSA-N 2 0 284.403 2.890 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000071146095 176041824 /nfs/dbraw/zinc/04/18/24/176041824.db2.gz LGTMFRQQZQWPFI-HNNXBMFYSA-N 2 0 284.403 2.760 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170369 176050992 /nfs/dbraw/zinc/05/09/92/176050992.db2.gz JTSDZUXBJYRJRX-UHFFFAOYSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000356981731 287394232 /nfs/dbraw/zinc/39/42/32/287394232.db2.gz RVFQJJGIAUTBNO-SJLPKXTDSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000393652774 270308461 /nfs/dbraw/zinc/30/84/61/270308461.db2.gz QSPXHGDSOLRGSF-CAOSSQGBSA-N 2 0 282.472 2.684 20 0 CFADRP CC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422749348 287625362 /nfs/dbraw/zinc/62/53/62/287625362.db2.gz YSIUQRPVBOWKRJ-NOLJZWGESA-N 2 0 260.381 2.630 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000400015797 420501522 /nfs/dbraw/zinc/50/15/22/420501522.db2.gz IBPCPAYETBMRAF-NRXISQOPSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916261 420501828 /nfs/dbraw/zinc/50/18/28/420501828.db2.gz MUXZXJFBGQYVEG-IRXDYDNUSA-N 2 0 258.409 2.959 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400971102 420502884 /nfs/dbraw/zinc/50/28/84/420502884.db2.gz JMFYDIDWQCIHQE-UMVBOHGHSA-N 2 0 264.800 2.818 20 0 CFADRP c1ccc2c(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000517741849 260013961 /nfs/dbraw/zinc/01/39/61/260013961.db2.gz GOFSFHFHKGORIV-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP O[C@H](C[NH2+][C@H]1CCCC12CCCCC2)C[NH+]1CCCC1 ZINC000312986526 260227964 /nfs/dbraw/zinc/22/79/64/260227964.db2.gz GBCGCRFQTUSYNP-CVEARBPZSA-N 2 0 280.456 2.536 20 0 CFADRP CC(C)(C)c1ccc(CN2CCCO[C@H](C[NH3+])C2)s1 ZINC000313361133 260287446 /nfs/dbraw/zinc/28/74/46/260287446.db2.gz XCBOHURHFDMTSA-GFCCVEGCSA-N 2 0 282.453 2.595 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000521067667 260365390 /nfs/dbraw/zinc/36/53/90/260365390.db2.gz AHAMDXHBWLNQGH-BRWVUGGUSA-N 2 0 275.440 2.669 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)CN1C1CC1 ZINC000390566202 262218999 /nfs/dbraw/zinc/21/89/99/262218999.db2.gz BMZZDJWWEVDEQU-WOPDTQHZSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423482917 274237261 /nfs/dbraw/zinc/23/72/61/274237261.db2.gz XJOBDHLRJVRYOQ-GMTAPVOTSA-N 2 0 256.340 2.611 20 0 CFADRP Cc1ccc(-c2ncc(CN(C)C3CC([NH3+])C3)s2)o1 ZINC000414769287 263041923 /nfs/dbraw/zinc/04/19/23/263041923.db2.gz JSSVBGBGGBFHDL-UHFFFAOYSA-N 2 0 277.393 2.633 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000093210654 263282789 /nfs/dbraw/zinc/28/27/89/263282789.db2.gz JSWQEPXNAAYCND-KGLIPLIRSA-N 2 0 254.418 2.585 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000224538999 270255748 /nfs/dbraw/zinc/25/57/48/270255748.db2.gz GWYYIRUAOBXGGQ-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422731841 533686848 /nfs/dbraw/zinc/68/68/48/533686848.db2.gz MOJMFPDFUGPQAH-LBPRGKRZSA-N 2 0 285.391 2.708 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cs1 ZINC000520734210 265913974 /nfs/dbraw/zinc/91/39/74/265913974.db2.gz NGJHMLRKHGGQLL-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1csc(C2CC2)n1 ZINC000514588118 266005590 /nfs/dbraw/zinc/00/55/90/266005590.db2.gz KTBDHLFWRCYYDS-KCXRBIIJSA-N 2 0 277.437 2.626 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000335486551 274849507 /nfs/dbraw/zinc/84/95/07/274849507.db2.gz HNGHHLZLENZJGF-DOMZBBRYSA-N 2 0 279.453 2.808 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH+](C)C1CCCCC1 ZINC000037901182 270226138 /nfs/dbraw/zinc/22/61/38/270226138.db2.gz NHDULCKDIDBMOI-JFIYKMOQSA-N 2 0 295.515 2.959 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000258893852 270274831 /nfs/dbraw/zinc/27/48/31/270274831.db2.gz CUGKSBXZJHUQEB-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000192721959 270233710 /nfs/dbraw/zinc/23/37/10/270233710.db2.gz ZXCFJLBPQLKKPE-MSOLQXFVSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000192750659 270233800 /nfs/dbraw/zinc/23/38/00/270233800.db2.gz PTZCXBYZVXVXRG-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000192803049 270234584 /nfs/dbraw/zinc/23/45/84/270234584.db2.gz PRPOSYBGHSOWHW-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000232603590 270261223 /nfs/dbraw/zinc/26/12/23/270261223.db2.gz UDQDYQITEOETOE-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000237225109 270265738 /nfs/dbraw/zinc/26/57/38/270265738.db2.gz QTAKLHZQULBHAP-GUYCJALGSA-N 2 0 297.402 2.681 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000258874152 270274428 /nfs/dbraw/zinc/27/44/28/270274428.db2.gz GEEVJRVLVIFENY-DLBZAZTESA-N 2 0 254.377 2.852 20 0 CFADRP c1oc2ccccc2c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000258934602 270274730 /nfs/dbraw/zinc/27/47/30/270274730.db2.gz HHXXFFVIDSIKTD-CYBMUJFWSA-N 2 0 258.365 2.912 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1F ZINC000258966328 270275020 /nfs/dbraw/zinc/27/50/20/270275020.db2.gz LFEBIHYEXRGQAN-UONOGXRCSA-N 2 0 250.361 2.573 20 0 CFADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000314888670 270291980 /nfs/dbraw/zinc/29/19/80/270291980.db2.gz BXCGJXLUIAXDEW-OBVSXPTNSA-N 2 0 294.483 2.686 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000322825130 270296898 /nfs/dbraw/zinc/29/68/98/270296898.db2.gz DMQDDZBBYMTZPN-MUSFGAPCSA-N 2 0 286.419 2.897 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000391219501 270305786 /nfs/dbraw/zinc/30/57/86/270305786.db2.gz YFYXSKSYQFWJKJ-QLFBSQMISA-N 2 0 293.480 2.976 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000397060897 270316147 /nfs/dbraw/zinc/31/61/47/270316147.db2.gz WYCLHOKKLANLFW-GVDBMIGSSA-N 2 0 273.424 2.709 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000397060899 270316165 /nfs/dbraw/zinc/31/61/65/270316165.db2.gz WYCLHOKKLANLFW-YESZJQIVSA-N 2 0 273.424 2.709 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000397264316 270316746 /nfs/dbraw/zinc/31/67/46/270316746.db2.gz IPGSBUNUCIMYAJ-UWVGGRQHSA-N 2 0 289.242 2.728 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000397286251 270317274 /nfs/dbraw/zinc/31/72/74/270317274.db2.gz UTJHVKNTBULNOU-JFIYKMOQSA-N 2 0 290.451 2.899 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000397471900 270318436 /nfs/dbraw/zinc/31/84/36/270318436.db2.gz XDTVGTBENBBFFF-BFYDXBDKSA-N 2 0 298.434 2.678 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397501228 270318456 /nfs/dbraw/zinc/31/84/56/270318456.db2.gz YNEIUNLVUFLHKE-MRXNPFEDSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CSC[C@H]1C ZINC000397918029 270320798 /nfs/dbraw/zinc/32/07/98/270320798.db2.gz FQWPZHASNUVKAX-MQYQWHSLSA-N 2 0 256.459 2.638 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1csc2ccccc12 ZINC000422931249 270332427 /nfs/dbraw/zinc/33/24/27/270332427.db2.gz BHGYQXUTQIHXIO-AWEZNQCLSA-N 2 0 292.448 2.787 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423012144 270332713 /nfs/dbraw/zinc/33/27/13/270332713.db2.gz KAUAMYZFPGGFEW-DAYGRLMNSA-N 2 0 290.451 2.852 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459397455 270337701 /nfs/dbraw/zinc/33/77/01/270337701.db2.gz DTBSQWLKTFGJRW-GOSISDBHSA-N 2 0 288.435 2.764 20 0 CFADRP CCOC1CC(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000514803893 270354730 /nfs/dbraw/zinc/35/47/30/270354730.db2.gz UUWPOOQDPDKPAL-UHFFFAOYSA-N 2 0 282.472 2.854 20 0 CFADRP Cc1cccc(NC[C@@H]2CCN(c3nc(C)ncc3C)C2)[nH+]1 ZINC000514821618 270355155 /nfs/dbraw/zinc/35/51/55/270355155.db2.gz DOGCFSUEBQRGAW-HNNXBMFYSA-N 2 0 297.406 2.735 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H](C)C2 ZINC000514930742 270358584 /nfs/dbraw/zinc/35/85/84/270358584.db2.gz PGOXLBVJEDSBCU-GUYCJALGSA-N 2 0 258.409 2.818 20 0 CFADRP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000515277257 270365936 /nfs/dbraw/zinc/36/59/36/270365936.db2.gz BMNFXFQBKZQVLY-CYBMUJFWSA-N 2 0 272.383 2.886 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000515666070 270374387 /nfs/dbraw/zinc/37/43/87/270374387.db2.gz DXFBDMIHRATRMC-HZPDHXFCSA-N 2 0 270.461 2.638 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]CCC2CCCCCC2)CC1 ZINC000516116556 270377569 /nfs/dbraw/zinc/37/75/69/270377569.db2.gz NKWVDVARJTYHBM-UHFFFAOYSA-N 2 0 295.515 2.964 20 0 CFADRP c1ccc2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccnc2c1 ZINC000516181500 270379027 /nfs/dbraw/zinc/37/90/27/270379027.db2.gz JNIIGYAEXPWNPT-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000516254036 270379593 /nfs/dbraw/zinc/37/95/93/270379593.db2.gz PEVXSPWSXZAWLD-HNNXBMFYSA-N 2 0 287.451 2.734 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000516769081 270387944 /nfs/dbraw/zinc/38/79/44/270387944.db2.gz PARVYQCSTIXFND-LSDHHAIUSA-N 2 0 288.370 2.946 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2(O)CCCC2)c1 ZINC000516965534 270392898 /nfs/dbraw/zinc/39/28/98/270392898.db2.gz ZWNVLQCDTMZSKS-UHFFFAOYSA-N 2 0 276.424 2.533 20 0 CFADRP CSC1(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000519788308 270415749 /nfs/dbraw/zinc/41/57/49/270415749.db2.gz PUDKIKOLFHDETC-UHFFFAOYSA-N 2 0 270.486 2.934 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422889267 273722515 /nfs/dbraw/zinc/72/25/15/273722515.db2.gz PEYHZCODVQBFRR-IMJJTQAJSA-N 2 0 274.408 2.673 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423040240 274018249 /nfs/dbraw/zinc/01/82/49/274018249.db2.gz SRRZVWIJGQUHOU-HOCLYGCPSA-N 2 0 278.440 2.597 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274946552 274047652 /nfs/dbraw/zinc/04/76/52/274047652.db2.gz UNHUXKFZHPZVEZ-SOLBZPMBSA-N 2 0 290.451 2.769 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000092836930 274135732 /nfs/dbraw/zinc/13/57/32/274135732.db2.gz SGSAOFIOOOCZKC-QGZVFWFLSA-N 2 0 274.408 2.614 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc2c1 ZINC000435373426 274143783 /nfs/dbraw/zinc/14/37/83/274143783.db2.gz NIFBRCYFJWRMSJ-RYUDHWBXSA-N 2 0 274.364 2.611 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)[C@H](C)[NH3+] ZINC000423473697 274259211 /nfs/dbraw/zinc/25/92/11/274259211.db2.gz QRUCCHKRMHPNPW-HOSYDEDBSA-N 2 0 297.240 2.632 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000361965593 274336136 /nfs/dbraw/zinc/33/61/36/274336136.db2.gz HIRHYMKYZWRWFS-XYPHTWIQSA-N 2 0 290.476 2.947 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000360055255 274340512 /nfs/dbraw/zinc/34/05/12/274340512.db2.gz GVPIBIPMIISETB-DTDBQYNISA-N 2 0 288.435 2.619 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089797 274496382 /nfs/dbraw/zinc/49/63/82/274496382.db2.gz WATAFIRUAIGOIW-FIXISWKDSA-N 2 0 250.361 2.919 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])CC3 ZINC000415008375 274768113 /nfs/dbraw/zinc/76/81/13/274768113.db2.gz DVMUXJIRSFLXHD-RWMBFGLXSA-N 2 0 271.408 2.659 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000333273747 274813832 /nfs/dbraw/zinc/81/38/32/274813832.db2.gz KZPVZZOKHOCFID-GJZGRUSLSA-N 2 0 273.424 2.887 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000415029928 274949979 /nfs/dbraw/zinc/94/99/79/274949979.db2.gz FCCLEPHIYLUOLH-PWSUYJOCSA-N 2 0 272.314 2.922 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335017582 274953347 /nfs/dbraw/zinc/95/33/47/274953347.db2.gz ZPOWAUMMBVUNPT-GUYCJALGSA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000423459950 274956658 /nfs/dbraw/zinc/95/66/58/274956658.db2.gz ALUWNELQLMPSSN-XJKCOSOUSA-N 2 0 274.408 2.877 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546945 275069655 /nfs/dbraw/zinc/06/96/55/275069655.db2.gz ZOPPKYQZMDDEIL-QGZVFWFLSA-N 2 0 288.460 2.916 20 0 CFADRP c1coc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422963273 275074655 /nfs/dbraw/zinc/07/46/55/275074655.db2.gz ICWWUQKMQCFJTH-FUHWJXTLSA-N 2 0 298.386 2.668 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414836572 275394231 /nfs/dbraw/zinc/39/42/31/275394231.db2.gz JQDIKVZGRLUSPM-CWRNSKLLSA-N 2 0 250.430 2.935 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360986204 275396026 /nfs/dbraw/zinc/39/60/26/275396026.db2.gz KEDYDMPKTMYCKC-YVSFHVDLSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000328614207 275534037 /nfs/dbraw/zinc/53/40/37/275534037.db2.gz AACZVCJGCSCDEQ-WBVHZDCISA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000346546964 275627177 /nfs/dbraw/zinc/62/71/77/275627177.db2.gz ADYGMDGSXCBCKP-OWCLPIDISA-N 2 0 282.472 2.636 20 0 CFADRP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000347388491 275722556 /nfs/dbraw/zinc/72/25/56/275722556.db2.gz CXDGMYZWRSYAHM-KRWDZBQOSA-N 2 0 280.456 2.896 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000414847168 275746778 /nfs/dbraw/zinc/74/67/78/275746778.db2.gz OKNHFMZEYFCFRE-IRXDYDNUSA-N 2 0 275.440 2.542 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000342697944 275828084 /nfs/dbraw/zinc/82/80/84/275828084.db2.gz LLGWMNDTHLDZPH-PMPSAXMXSA-N 2 0 280.456 2.533 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356888900 275941434 /nfs/dbraw/zinc/94/14/34/275941434.db2.gz ZLAOFILHZPIZRH-IAGOWNOFSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368451777 276014453 /nfs/dbraw/zinc/01/44/53/276014453.db2.gz VIORBEYZSUDQPK-QBPKDAKJSA-N 2 0 282.472 2.758 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421800068 276097775 /nfs/dbraw/zinc/09/77/75/276097775.db2.gz GFMVYVLTTNVFEN-MRXNPFEDSA-N 2 0 275.440 2.651 20 0 CFADRP CC1(C)CCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335642351 276104135 /nfs/dbraw/zinc/10/41/35/276104135.db2.gz IHQXXVVLIGQFPD-OFLPRAFFSA-N 2 0 293.499 2.761 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335479130 276139513 /nfs/dbraw/zinc/13/95/13/276139513.db2.gz RKJNPRAJEGRYHJ-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422790401 276148755 /nfs/dbraw/zinc/14/87/55/276148755.db2.gz UARHVUBLMPHQSA-QZTJIDSGSA-N 3 0 287.451 2.843 20 0 CFADRP CC1CC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335033220 276187546 /nfs/dbraw/zinc/18/75/46/276187546.db2.gz PLXLMDNFMBKUIR-KWVKFQHESA-N 2 0 272.392 2.630 20 0 CFADRP CC1CCC(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000429038615 276188931 /nfs/dbraw/zinc/18/89/31/276188931.db2.gz XJNAQKKDAMYIJS-UYSNPLJNSA-N 2 0 250.430 2.840 20 0 CFADRP CC1CCC(O)(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000130242997 276191734 /nfs/dbraw/zinc/19/17/34/276191734.db2.gz KAQIHTYQEDEMOU-UHFFFAOYSA-N 2 0 294.483 2.735 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121040493 276196942 /nfs/dbraw/zinc/19/69/42/276196942.db2.gz NRMOPMWSYMBXPX-ZACQAIPSSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000245639895 276198389 /nfs/dbraw/zinc/19/83/89/276198389.db2.gz YEXFRUZYAWHJTJ-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCC(C)CC2)[C@@H](C)C1 ZINC000355413940 276228265 /nfs/dbraw/zinc/22/82/65/276228265.db2.gz DGDHMXYLHSOWDA-YZUHTNEWSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CC)CCOCC2)[C@@H](C)C1 ZINC000347408727 276228274 /nfs/dbraw/zinc/22/82/74/276228274.db2.gz GWBKRJKFSUPRIQ-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347440565 276247928 /nfs/dbraw/zinc/24/79/28/276247928.db2.gz OMIJDYBPPLVHPX-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000249978178 276258023 /nfs/dbraw/zinc/25/80/23/276258023.db2.gz LUOMIZGGIPSHSL-RCCFBDPRSA-N 2 0 293.499 2.761 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367618951 276325784 /nfs/dbraw/zinc/32/57/84/276325784.db2.gz URDWAKLVFZOFKL-UKRRQHHQSA-N 2 0 278.444 2.887 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000352850111 276325993 /nfs/dbraw/zinc/32/59/93/276325993.db2.gz RSVPMFLSUPTPHK-ZOBUZTSGSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+](CC)[C@H](C)CNc1cc[nH+]c2ccccc12 ZINC000359875431 276338260 /nfs/dbraw/zinc/33/82/60/276338260.db2.gz LHQFYVWAGDRFCU-CYBMUJFWSA-N 2 0 257.381 2.799 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367600412 276358620 /nfs/dbraw/zinc/35/86/20/276358620.db2.gz JJNJGCPGFFNWSL-KURKYZTESA-N 3 0 293.499 2.571 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000420299187 276398927 /nfs/dbraw/zinc/39/89/27/276398927.db2.gz IFPMKUNYQHVHPW-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189111601 276384925 /nfs/dbraw/zinc/38/49/25/276384925.db2.gz MZNYXAUPTPWXOP-IRXDYDNUSA-N 2 0 293.499 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H](C)C1 ZINC000348678796 276396075 /nfs/dbraw/zinc/39/60/75/276396075.db2.gz HKVNZOVDFPYRJA-HBIQZDMRSA-N 2 0 264.335 2.647 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C1 ZINC000420305283 276398701 /nfs/dbraw/zinc/39/87/01/276398701.db2.gz PHAFBKSIJJYKGW-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000336804040 276399190 /nfs/dbraw/zinc/39/91/90/276399190.db2.gz FNLQGZOOZMIAAL-ILXRZTDVSA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000430723773 276471940 /nfs/dbraw/zinc/47/19/40/276471940.db2.gz PHSCEEXZIWXLMB-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCCC1 ZINC000449191091 276583736 /nfs/dbraw/zinc/58/37/36/276583736.db2.gz OYDNKKWFFWWSQY-OKZBNKHCSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCOC1 ZINC000359914029 276636368 /nfs/dbraw/zinc/63/63/68/276636368.db2.gz XFHXVBGFZKAXOZ-NCOADZHNSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423056310 276640151 /nfs/dbraw/zinc/64/01/51/276640151.db2.gz XYWVRPWMZWQHFF-BYNSBNAKSA-N 2 0 268.445 2.699 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000335623208 276772679 /nfs/dbraw/zinc/77/26/79/276772679.db2.gz UNANBQRWTWXQFT-GTPINHCMSA-N 2 0 287.451 2.791 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414833712 276812609 /nfs/dbraw/zinc/81/26/09/276812609.db2.gz GRHCLIDWSVAZHT-HNNXBMFYSA-N 2 0 280.456 2.705 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000373710286 276884757 /nfs/dbraw/zinc/88/47/57/276884757.db2.gz DRDVPJGGXFAXIM-IXDOHACOSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337984863 277023346 /nfs/dbraw/zinc/02/33/46/277023346.db2.gz CCIDAMISNZQCJO-LSDHHAIUSA-N 2 0 254.393 2.756 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453110561 277026442 /nfs/dbraw/zinc/02/64/42/277026442.db2.gz QJAJDFVBLUCRNE-INIZCTEOSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000414170698 277073537 /nfs/dbraw/zinc/07/35/37/277073537.db2.gz CDZHBMWFNNUBSV-UKRRQHHQSA-N 2 0 262.397 2.979 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289578437 277077913 /nfs/dbraw/zinc/07/79/13/277077913.db2.gz WHGNZFNQXHXSSJ-ROUUACIJSA-N 2 0 299.462 2.608 20 0 CFADRP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000334530304 277149200 /nfs/dbraw/zinc/14/92/00/277149200.db2.gz JTIYAUSFIKYABV-KRWDZBQOSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@H]2CCC[C@@H]21 ZINC000348340827 277170629 /nfs/dbraw/zinc/17/06/29/277170629.db2.gz YAEIEKRRIRDIHQ-RDBSUJKOSA-N 2 0 254.393 2.731 20 0 CFADRP COCC1(C[NH2+][C@H](C)C2CCCCCC2)CC[NH2+]CC1 ZINC000423412303 277199784 /nfs/dbraw/zinc/19/97/84/277199784.db2.gz WMUBOMIIINKBPO-OAHLLOKOSA-N 2 0 282.472 2.951 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449110852 277206877 /nfs/dbraw/zinc/20/68/77/277206877.db2.gz HEELDKABLYFBPJ-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157214656 277214514 /nfs/dbraw/zinc/21/45/14/277214514.db2.gz NHAPSXQJHMIWCJ-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C)CCC(C)CC1 ZINC000423081053 277259910 /nfs/dbraw/zinc/25/99/10/277259910.db2.gz AXAASHJSKFPLBD-SLTAFYQDSA-N 2 0 256.434 2.546 20 0 CFADRP C[NH2+]CC1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000430947977 277264874 /nfs/dbraw/zinc/26/48/74/277264874.db2.gz GPXFKDYUAZOTKZ-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423201243 277268633 /nfs/dbraw/zinc/26/86/33/277268633.db2.gz OFEYRFLQTBLYFO-OAHLLOKOSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423255972 277275017 /nfs/dbraw/zinc/27/50/17/277275017.db2.gz BCVRAXDTCWMIAB-YPMHNXCESA-N 2 0 250.386 2.738 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000423275457 277282733 /nfs/dbraw/zinc/28/27/33/277282733.db2.gz NALVSPGRLOLHRV-SMDDNHRTSA-N 2 0 280.437 2.677 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423279659 277282737 /nfs/dbraw/zinc/28/27/37/277282737.db2.gz SPIGCVCAUUKWRQ-GXFFZTMASA-N 2 0 268.401 2.808 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000246508145 277332305 /nfs/dbraw/zinc/33/23/05/277332305.db2.gz TXHCAKCAVIPEME-DAXOMENPSA-N 2 0 280.387 2.586 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134935653 277357176 /nfs/dbraw/zinc/35/71/76/277357176.db2.gz VXZJUEXOOXFHSB-AEFFLSMTSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000247066493 277386429 /nfs/dbraw/zinc/38/64/29/277386429.db2.gz MSXLFYPZXXOKDB-BRWVUGGUSA-N 2 0 294.483 2.900 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000423118280 277391843 /nfs/dbraw/zinc/39/18/43/277391843.db2.gz ZUFYEMNYQRNNFT-YGRLFVJLSA-N 2 0 266.360 2.539 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000423114939 277391871 /nfs/dbraw/zinc/39/18/71/277391871.db2.gz MQPOKPWBXMUDQH-ABAIWWIYSA-N 2 0 280.387 2.929 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CC1([NH3+])CCCCC1 ZINC000414845710 277561890 /nfs/dbraw/zinc/56/18/90/277561890.db2.gz RMCWBFDUEWYVDI-JTQLQIEISA-N 2 0 252.324 2.969 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000361027786 277692220 /nfs/dbraw/zinc/69/22/20/277692220.db2.gz ZRXZMDRPBGSBLE-HUUCEWRRSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834120 277743891 /nfs/dbraw/zinc/74/38/91/277743891.db2.gz NIBMQGNPDDHLKM-NUEKZKHPSA-N 2 0 261.413 2.551 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293788407 277935662 /nfs/dbraw/zinc/93/56/62/277935662.db2.gz UHUDLFMWWOOBPU-LBTBCDHLSA-N 2 0 290.451 2.975 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423391744 277949257 /nfs/dbraw/zinc/94/92/57/277949257.db2.gz PREQIMHKDYXLDG-ZQIUZPCESA-N 2 0 274.408 2.932 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000368527492 277966217 /nfs/dbraw/zinc/96/62/17/277966217.db2.gz LLCYMRLNGMJPCZ-ZACQAIPSSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)CC[N@@H+]1C ZINC000289941113 278027281 /nfs/dbraw/zinc/02/72/81/278027281.db2.gz VYIGVWJRBLMQIP-IOASZLSFSA-N 2 0 294.464 2.608 20 0 CFADRP CSC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000134009415 278122092 /nfs/dbraw/zinc/12/20/92/278122092.db2.gz RBQYROISRNPUQL-OLZOCXBDSA-N 2 0 250.411 2.862 20 0 CFADRP CS[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414705508 278143365 /nfs/dbraw/zinc/14/33/65/278143365.db2.gz KKAYGQAFBVXQNA-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000423059961 278169117 /nfs/dbraw/zinc/16/91/17/278169117.db2.gz GZAUPOGQIAQTCW-JHJVBQTASA-N 2 0 296.377 2.577 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(F)(F)F ZINC000359969796 278211293 /nfs/dbraw/zinc/21/12/93/278211293.db2.gz JAWBUKFXVRSWSH-DBIOUOCHSA-N 2 0 252.324 2.503 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224238066 278216575 /nfs/dbraw/zinc/21/65/75/278216575.db2.gz FGLIUTWCRDGMCF-TWMKSMIVSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000336837964 278227194 /nfs/dbraw/zinc/22/71/94/278227194.db2.gz MHIHYJHEBWGFSF-LSDHHAIUSA-N 2 0 279.428 2.524 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000430544226 278231235 /nfs/dbraw/zinc/23/12/35/278231235.db2.gz NSAMWANLWNBNKO-DETPVDSQSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000423292982 278232539 /nfs/dbraw/zinc/23/25/39/278232539.db2.gz PFBHKBBMCBVZNM-VWPFQQQWSA-N 3 0 275.440 2.525 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccn1 ZINC000423150462 278311753 /nfs/dbraw/zinc/31/17/53/278311753.db2.gz ZATGVWHWJMFORZ-NVXWUHKLSA-N 2 0 297.446 2.907 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415128220 278314836 /nfs/dbraw/zinc/31/48/36/278314836.db2.gz RXQWDPVFYMJXTL-CABCVRRESA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000423293490 278318861 /nfs/dbraw/zinc/31/88/61/278318861.db2.gz RNNSDEYYPNUUKZ-OLZOCXBDSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCSC1 ZINC000486952462 278332059 /nfs/dbraw/zinc/33/20/59/278332059.db2.gz YTJVJFXODMBERV-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000346215475 278334396 /nfs/dbraw/zinc/33/43/96/278334396.db2.gz KIFLVRPIBZKBCF-JKSUJKDBSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000044515498 278341608 /nfs/dbraw/zinc/34/16/08/278341608.db2.gz CODCCEPWGARMMS-CYBMUJFWSA-N 2 0 286.423 2.566 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423245446 278348612 /nfs/dbraw/zinc/34/86/12/278348612.db2.gz IXLGNIHDACUQOE-CHWSQXEVSA-N 2 0 279.403 2.542 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000423214633 278364573 /nfs/dbraw/zinc/36/45/73/278364573.db2.gz LNSLQQFXXQSADO-HZSPNIEDSA-N 2 0 293.430 2.930 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)C1 ZINC000414906642 278515068 /nfs/dbraw/zinc/51/50/68/278515068.db2.gz AETNKHCBWTYWHZ-MXSMSXNCSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC[NH2+]C1 ZINC000414898140 278562704 /nfs/dbraw/zinc/56/27/04/278562704.db2.gz AQZORSGVICCFSD-PMPSAXMXSA-N 2 0 250.430 2.935 20 0 CFADRP CCC(CC)(C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)OC ZINC000423041720 278587512 /nfs/dbraw/zinc/58/75/12/278587512.db2.gz XVIJGGGPHUSOAX-LSDHHAIUSA-N 2 0 298.471 2.866 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[NH+]2CCCC2)C[C@H]1OC ZINC000344069464 278634613 /nfs/dbraw/zinc/63/46/13/278634613.db2.gz CHTUBHCLNAQPED-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](O)C(C)C ZINC000423195715 288073769 /nfs/dbraw/zinc/07/37/69/288073769.db2.gz YCWANKMEQVYBQL-QXSJWSMHSA-N 2 0 262.397 2.516 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000345062349 288076484 /nfs/dbraw/zinc/07/64/84/288076484.db2.gz JJHKVEAOYRYUDE-LAVFITLUSA-N 2 0 288.435 2.694 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449133650 278802912 /nfs/dbraw/zinc/80/29/12/278802912.db2.gz ZGMVLUUZNVQOAZ-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000085401594 278929680 /nfs/dbraw/zinc/92/96/80/278929680.db2.gz YPCPFYMASNOJPI-CVSAEHQPSA-N 2 0 268.445 2.686 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000423182649 278944007 /nfs/dbraw/zinc/94/40/07/278944007.db2.gz QVFAKRZXSWNPCW-KRWDZBQOSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3sccc32)CC[NH2+]1 ZINC000423403554 278994291 /nfs/dbraw/zinc/99/42/91/278994291.db2.gz YKRKOVUYBPTGMD-NQBHXWOUSA-N 2 0 250.411 2.856 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423452971 279022644 /nfs/dbraw/zinc/02/26/44/279022644.db2.gz ZTGXSOLKYNJRSZ-QRVDHSFSSA-N 2 0 270.420 2.898 20 0 CFADRP C[C@@H]1[N@H+](CC[C@@H]2CCCC[NH+]2C)CCC12CCOCC2 ZINC000334254145 279025397 /nfs/dbraw/zinc/02/53/97/279025397.db2.gz XSNXCKAVVPEKPO-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778523 279094608 /nfs/dbraw/zinc/09/46/08/279094608.db2.gz IYWFSRLTEWLHDW-HRCADAONSA-N 2 0 252.446 2.990 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000247050981 279100098 /nfs/dbraw/zinc/10/00/98/279100098.db2.gz WZJIBXFIFZRZPP-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000349687161 279109220 /nfs/dbraw/zinc/10/92/20/279109220.db2.gz ZEYISKSTBREYEQ-YJBOKZPZSA-N 2 0 290.451 2.868 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423354302 279117214 /nfs/dbraw/zinc/11/72/14/279117214.db2.gz CQMKUCOQQBJTKE-NEPJUHHUSA-N 2 0 265.426 2.561 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422814146 279121051 /nfs/dbraw/zinc/12/10/51/279121051.db2.gz ZSVIFERMCGMOPW-YESZJQIVSA-N 2 0 284.488 2.932 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341906818 288106246 /nfs/dbraw/zinc/10/62/46/288106246.db2.gz XPIXQCBSJRNFFX-NQNKBUKLSA-N 2 0 281.488 2.568 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(SC)CC2)C1 ZINC000347843916 279124939 /nfs/dbraw/zinc/12/49/39/279124939.db2.gz AKOQVKMXJGZNES-ZDUSSCGKSA-N 2 0 256.459 2.546 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(OC)CCCCC2)C1 ZINC000483279136 279125098 /nfs/dbraw/zinc/12/50/98/279125098.db2.gz GIMOZVVZFBVDLR-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(SC)CCC2)C1 ZINC000356118866 279125114 /nfs/dbraw/zinc/12/51/14/279125114.db2.gz YOOXCZIHCFPIFW-AWEZNQCLSA-N 2 0 270.486 2.936 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000268867816 288107947 /nfs/dbraw/zinc/10/79/47/288107947.db2.gz JKOISHNXHXVFMT-XLMAVXFVSA-N 2 0 287.451 2.584 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861452 279147758 /nfs/dbraw/zinc/14/77/58/279147758.db2.gz MRQQVLIRZDLAFR-BMFZPTHFSA-N 2 0 295.496 2.861 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000414919309 279162379 /nfs/dbraw/zinc/16/23/79/279162379.db2.gz WQWQTYJAHLYXTH-IAGOWNOFSA-N 2 0 258.409 2.523 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000335694877 279165125 /nfs/dbraw/zinc/16/51/25/279165125.db2.gz QWKBNTFIPWRPKI-CQSZACIVSA-N 2 0 265.788 2.575 20 0 CFADRP CC(C)C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423041949 279224646 /nfs/dbraw/zinc/22/46/46/279224646.db2.gz JZAQQZIZBURDJP-CKUJCDMFSA-N 2 0 268.445 2.687 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420415248 279292333 /nfs/dbraw/zinc/29/23/33/279292333.db2.gz UXTOYGMOURUROV-RCBQFDQVSA-N 2 0 294.826 2.759 20 0 CFADRP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000341303143 279370552 /nfs/dbraw/zinc/37/05/52/279370552.db2.gz OMPGDYUBRWJJIF-KGLIPLIRSA-N 2 0 268.445 2.533 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCCCC2)C1 ZINC000421823306 279396070 /nfs/dbraw/zinc/39/60/70/279396070.db2.gz ZEEAUUZPDZLZQB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192691987 279396103 /nfs/dbraw/zinc/39/61/03/279396103.db2.gz YVSAZZDSPSVOOH-WMLDXEAASA-N 2 0 273.424 2.865 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423356107 279439033 /nfs/dbraw/zinc/43/90/33/279439033.db2.gz PZAGPYSKYGTIFA-NEPJUHHUSA-N 2 0 262.319 2.617 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCC1 ZINC000358293688 279457092 /nfs/dbraw/zinc/45/70/92/279457092.db2.gz AUPFOEIBVAINEY-RRQGHBQHSA-N 2 0 280.456 2.533 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000415035507 279643653 /nfs/dbraw/zinc/64/36/53/279643653.db2.gz KPQVYBLOEQBANJ-YPMHNXCESA-N 2 0 283.213 2.666 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000449734428 279655001 /nfs/dbraw/zinc/65/50/01/279655001.db2.gz BLKUNVROMJEEPP-UOVPBQLFSA-N 2 0 294.483 2.780 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423076220 279663538 /nfs/dbraw/zinc/66/35/38/279663538.db2.gz YQLIEELXFQNJEA-YWWDTZIBSA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCCC[NH+]2CCCCC2)c2ccccc21 ZINC000157270167 279681463 /nfs/dbraw/zinc/68/14/63/279681463.db2.gz FCISKPGFKNUKLP-SJORKVTESA-N 2 0 273.424 2.597 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000361240008 279710166 /nfs/dbraw/zinc/71/01/66/279710166.db2.gz ZLDQYDDWNRWRGU-KBPBESRZSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423077051 279734948 /nfs/dbraw/zinc/73/49/48/279734948.db2.gz LFHALNDAIQKZRO-DZOHQFGASA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](c2ccccc2)O1 ZINC000420317138 288181793 /nfs/dbraw/zinc/18/17/93/288181793.db2.gz NGZBDAAISKWEPF-SOLBZPMBSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340195 280035488 /nfs/dbraw/zinc/03/54/88/280035488.db2.gz VLXIKVZJQSFXOU-BBRMVZONSA-N 2 0 258.409 2.899 20 0 CFADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422828869 280047225 /nfs/dbraw/zinc/04/72/25/280047225.db2.gz BOAZJPPNVUBHFJ-IGQOVBAYSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420300830 280123478 /nfs/dbraw/zinc/12/34/78/280123478.db2.gz KTBBKICSXDKAIE-NWDGAFQWSA-N 2 0 280.362 2.884 20 0 CFADRP CC[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC000419216389 280140535 /nfs/dbraw/zinc/14/05/35/280140535.db2.gz PHIJOOGHVWPRQT-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1cccnc1 ZINC000422839110 280254603 /nfs/dbraw/zinc/25/46/03/280254603.db2.gz ZFVASOMWWSKGJR-BHYGNILZSA-N 2 0 275.440 2.799 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423257383 280325765 /nfs/dbraw/zinc/32/57/65/280325765.db2.gz JCRMWRPVRWPISS-CJNGLKHVSA-N 2 0 279.403 2.897 20 0 CFADRP CC[C@@H]1CC[C@H](C)[NH+]1CC(O)C[N@@H+]1[C@H](CC)CC[C@@H]1C ZINC000447307324 280335825 /nfs/dbraw/zinc/33/58/25/280335825.db2.gz VCARWKGXVZCIIO-CAOSSQGBSA-N 2 0 282.472 2.873 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337477507 280422847 /nfs/dbraw/zinc/42/28/47/280422847.db2.gz PKJCHOVGFSQSJL-GVDBMIGSSA-N 2 0 292.467 2.677 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000068626654 280477397 /nfs/dbraw/zinc/47/73/97/280477397.db2.gz CJEVHLFWXNBLND-TVFCKZIOSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120893015 280618714 /nfs/dbraw/zinc/61/87/14/280618714.db2.gz VIJWQFUHBFHAOA-KURKYZTESA-N 2 0 295.515 2.674 20 0 CFADRP CCCC[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123561497 280633448 /nfs/dbraw/zinc/63/34/48/280633448.db2.gz VLEAKHSKCXHVCR-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000128029296 280672272 /nfs/dbraw/zinc/67/22/72/280672272.db2.gz WTPKHBCETOWVDY-PBHICJAKSA-N 2 0 296.430 2.876 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH3+])c(Br)c1 ZINC000129615717 280826547 /nfs/dbraw/zinc/82/65/47/280826547.db2.gz BKKLDKISYJCZEA-UHFFFAOYSA-N 2 0 271.202 2.586 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539484 280867295 /nfs/dbraw/zinc/86/72/95/280867295.db2.gz IKKRVDRGVRYCPP-WNRNVDISSA-N 2 0 272.436 2.985 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000246908039 281000894 /nfs/dbraw/zinc/00/08/94/281000894.db2.gz FPJLGXQRPHSIDP-ARFHVFGLSA-N 2 0 270.461 2.758 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000247067070 281004781 /nfs/dbraw/zinc/00/47/81/281004781.db2.gz MUOANVAXWXQWMG-GVDBMIGSSA-N 2 0 292.467 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000247231461 281007416 /nfs/dbraw/zinc/00/74/16/281007416.db2.gz YIGXFNQNRVWOAB-BDXSIMOUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247232943 281008596 /nfs/dbraw/zinc/00/85/96/281008596.db2.gz SGVCAYHBOXAQNQ-MAUKXSAKSA-N 2 0 290.451 2.900 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000248427126 281021590 /nfs/dbraw/zinc/02/15/90/281021590.db2.gz OOZSGOFEERPFKU-ARFHVFGLSA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248439198 281022178 /nfs/dbraw/zinc/02/21/78/281022178.db2.gz CGRYZIUFDOXYMB-LSDHHAIUSA-N 2 0 298.471 2.770 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000248484541 281023265 /nfs/dbraw/zinc/02/32/65/281023265.db2.gz DKALVCSVXRWNHX-ZMJPVWNMSA-N 2 0 281.469 2.873 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000248622471 281028224 /nfs/dbraw/zinc/02/82/24/281028224.db2.gz BCURAXKJZPIGSG-BBWFWOEESA-N 2 0 283.504 2.817 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CC3 ZINC000414948727 281035400 /nfs/dbraw/zinc/03/54/00/281035400.db2.gz YWTMAZWCXHYDKM-CKEIUWERSA-N 2 0 297.446 2.921 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249036792 281045371 /nfs/dbraw/zinc/04/53/71/281045371.db2.gz CISQWCPGNAXSTI-JYJNAYRXSA-N 2 0 250.430 2.862 20 0 CFADRP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401048736 281050990 /nfs/dbraw/zinc/05/09/90/281050990.db2.gz XGINOPWBEWXYDU-BARDWOONSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000249458656 281058540 /nfs/dbraw/zinc/05/85/40/281058540.db2.gz YVGPKOYORQSSEB-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250575475 281070056 /nfs/dbraw/zinc/07/00/56/281070056.db2.gz FJGRWSHIOAFEAH-WBMJQRKESA-N 2 0 262.372 2.744 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000251758857 281074701 /nfs/dbraw/zinc/07/47/01/281074701.db2.gz LUJWOYYSJIKHEW-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268751160 281116556 /nfs/dbraw/zinc/11/65/56/281116556.db2.gz CLBXYJVATZKADL-CVEARBPZSA-N 2 0 298.434 2.865 20 0 CFADRP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000422951750 281135816 /nfs/dbraw/zinc/13/58/16/281135816.db2.gz AAGMVPXVKXUIAX-SWLSCSKDSA-N 2 0 262.397 2.844 20 0 CFADRP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000396782092 281197302 /nfs/dbraw/zinc/19/73/02/281197302.db2.gz JOZHQYQTVIPASX-SJORKVTESA-N 2 0 288.435 2.666 20 0 CFADRP FC(F)OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000398240121 281205808 /nfs/dbraw/zinc/20/58/08/281205808.db2.gz WHSQKBOINRRPNG-JHJVBQTASA-N 2 0 276.371 2.516 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H](C)C2)cc1 ZINC000420371671 281220141 /nfs/dbraw/zinc/22/01/41/281220141.db2.gz KWLMYARKQAEAIQ-ZBFHGGJFSA-N 2 0 276.424 2.860 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422930335 281222519 /nfs/dbraw/zinc/22/25/19/281222519.db2.gz SXYWOJOQPUADDH-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000423010492 281223183 /nfs/dbraw/zinc/22/31/83/281223183.db2.gz GPBUBKBDDSZBDY-NNGSBXSVSA-N 2 0 298.434 2.852 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453598561 281237641 /nfs/dbraw/zinc/23/76/41/281237641.db2.gz PQNBRJSHVSZVNK-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000335857092 281252495 /nfs/dbraw/zinc/25/24/95/281252495.db2.gz LRHUPODIBMJUDV-INIZCTEOSA-N 2 0 259.397 2.527 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459429223 281263372 /nfs/dbraw/zinc/26/33/72/281263372.db2.gz CKFQVKGHNYDFOV-UHFFFAOYSA-N 2 0 282.472 2.636 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546631 281272526 /nfs/dbraw/zinc/27/25/26/281272526.db2.gz FPBWCBWNNVNDFG-QGZVFWFLSA-N 2 0 256.393 2.882 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000515843970 281298162 /nfs/dbraw/zinc/29/81/62/281298162.db2.gz HGIISIQIXZGYSQ-CYBMUJFWSA-N 2 0 284.350 2.501 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C2 ZINC000423142759 281299161 /nfs/dbraw/zinc/29/91/61/281299161.db2.gz VUEMBPSZFMRTRA-OWCLPIDISA-N 2 0 274.408 2.548 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000290178820 281299785 /nfs/dbraw/zinc/29/97/85/281299785.db2.gz NILJSFOHNXPRME-XOSAIJSUSA-N 2 0 288.435 2.617 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000516193547 281300484 /nfs/dbraw/zinc/30/04/84/281300484.db2.gz NFGQWIMPHKODGH-CABCVRRESA-N 2 0 276.424 2.832 20 0 CFADRP FC1(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000527279822 281328206 /nfs/dbraw/zinc/32/82/06/281328206.db2.gz BTONJZGBBDMWMQ-UHFFFAOYSA-N 2 0 262.372 2.874 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527653408 281337065 /nfs/dbraw/zinc/33/70/65/281337065.db2.gz KATDKLPEHNPPGT-UHFFFAOYSA-N 2 0 261.413 2.602 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000527654898 281337979 /nfs/dbraw/zinc/33/79/79/281337979.db2.gz WILAUKUIQWAMMP-MRXNPFEDSA-N 2 0 261.413 2.600 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186590579 281356628 /nfs/dbraw/zinc/35/66/28/281356628.db2.gz MCLRVFAHKGDURH-IAGOWNOFSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423383835 288325149 /nfs/dbraw/zinc/32/51/49/288325149.db2.gz FIUAZUMXILWJJE-HFBAOOFYSA-N 2 0 262.372 2.791 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000539065960 281565414 /nfs/dbraw/zinc/56/54/14/281565414.db2.gz QMNXURCNCNOGTI-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000539651047 281571245 /nfs/dbraw/zinc/57/12/45/281571245.db2.gz VLUHHXZGRILWPC-HOCLYGCPSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000539853770 281577407 /nfs/dbraw/zinc/57/74/07/281577407.db2.gz AYTAMJKQCBRUSM-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000541740933 281610805 /nfs/dbraw/zinc/61/08/05/281610805.db2.gz LOZLNFPSGVQYDO-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353948077 288356229 /nfs/dbraw/zinc/35/62/29/288356229.db2.gz RGNPDRUZFFBSFX-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C(C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)C ZINC000560076910 282014846 /nfs/dbraw/zinc/01/48/46/282014846.db2.gz LSJPDAFSXPVKJA-ZWKOTPCHSA-N 2 0 296.499 2.882 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000560113864 282015757 /nfs/dbraw/zinc/01/57/57/282015757.db2.gz NDARSRVKTHUFOC-OAADTKLRSA-N 2 0 268.445 2.652 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000362728009 282023218 /nfs/dbraw/zinc/02/32/18/282023218.db2.gz XSZGZBFWUCGFAJ-GFCCVEGCSA-N 2 0 297.487 2.579 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000353514477 282049298 /nfs/dbraw/zinc/04/92/98/282049298.db2.gz GZPWOAKYVNDGGA-UIEKQHFFSA-N 2 0 280.456 2.652 20 0 CFADRP C[NH+](C)CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000124199067 289117195 /nfs/dbraw/zinc/11/71/95/289117195.db2.gz RRJCBJUHPJAERR-UHFFFAOYSA-N 2 0 266.351 2.896 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]C1 ZINC000262006781 289164825 /nfs/dbraw/zinc/16/48/25/289164825.db2.gz LVXPJYIXTGTWCA-WCQYABFASA-N 2 0 278.362 2.896 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(OC(F)F)cc1C ZINC000414833771 533692576 /nfs/dbraw/zinc/69/25/76/533692576.db2.gz QCODLAAAOCRWEP-ZDUSSCGKSA-N 2 0 298.377 2.994 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000423041983 289733494 /nfs/dbraw/zinc/73/34/94/289733494.db2.gz KAXHVVDAYUYRHT-MISXGVKJSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000110643919 289766442 /nfs/dbraw/zinc/76/64/42/289766442.db2.gz RCYQTNXTKKWWPZ-RYUDHWBXSA-N 2 0 250.361 2.946 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182064304 289880013 /nfs/dbraw/zinc/88/00/13/289880013.db2.gz ZGAIXZPQNLBDPS-INIZCTEOSA-N 2 0 292.398 2.971 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2CCCC2)CC1 ZINC000153935043 289880358 /nfs/dbraw/zinc/88/03/58/289880358.db2.gz TXIXIIXYRMIUQU-IAGOWNOFSA-N 2 0 293.499 2.667 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154290225 289890558 /nfs/dbraw/zinc/89/05/58/289890558.db2.gz QYRWDNPDLIIITF-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154434031 289894612 /nfs/dbraw/zinc/89/46/12/289894612.db2.gz CFJCUYJVNUBAQM-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000314999860 290019113 /nfs/dbraw/zinc/01/91/13/290019113.db2.gz ZUKNMZSCAPFCEK-ZBFHGGJFSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cn1 ZINC000423547809 290024965 /nfs/dbraw/zinc/02/49/65/290024965.db2.gz QGRRFORYQIVCCV-FMCLSXCISA-N 2 0 279.815 2.774 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000562442770 290043898 /nfs/dbraw/zinc/04/38/98/290043898.db2.gz AOSOGZMQRHJODO-CVEARBPZSA-N 2 0 278.440 2.676 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423382929 290049499 /nfs/dbraw/zinc/04/94/99/290049499.db2.gz KAZNTDROCUYLQI-UBHSHLNASA-N 2 0 279.403 2.812 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCC[C@H]1C ZINC000562519248 290050320 /nfs/dbraw/zinc/05/03/20/290050320.db2.gz CLZDHWNEMWMTSA-FGTMMUONSA-N 2 0 295.515 2.818 20 0 CFADRP COC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1CCCC1 ZINC000562577875 290057462 /nfs/dbraw/zinc/05/74/62/290057462.db2.gz PORKNAYNILQIHJ-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000562933561 290082947 /nfs/dbraw/zinc/08/29/47/290082947.db2.gz RKKIIOBALJXIDD-MIFYACCESA-N 2 0 289.423 2.596 20 0 CFADRP [NH3+][C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000562955663 290085174 /nfs/dbraw/zinc/08/51/74/290085174.db2.gz GUQLBUCORVZFJU-BSDSXHPESA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000562958931 290085738 /nfs/dbraw/zinc/08/57/38/290085738.db2.gz BPUJCQZBVZKIPI-QAPCUYQASA-N 2 0 298.434 2.539 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000562958670 290085830 /nfs/dbraw/zinc/08/58/30/290085830.db2.gz KJDNTSKFWVVAJE-QWHCGFSZSA-N 2 0 289.423 2.739 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000562960402 290086409 /nfs/dbraw/zinc/08/64/09/290086409.db2.gz SCHKVMDDFVBWNU-CHWSQXEVSA-N 2 0 293.480 2.672 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000563422112 290148558 /nfs/dbraw/zinc/14/85/58/290148558.db2.gz KIUYXIGTZALLQO-LBPRGKRZSA-N 2 0 252.427 2.930 20 0 CFADRP COC(=O)CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000563423390 290148653 /nfs/dbraw/zinc/14/86/53/290148653.db2.gz GGEVCLAQLYWJLD-OAGGEKHMSA-N 2 0 290.407 2.540 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000563424991 290149378 /nfs/dbraw/zinc/14/93/78/290149378.db2.gz OCSQCENTWJWBDQ-JKSUJKDBSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000563427599 290149942 /nfs/dbraw/zinc/14/99/42/290149942.db2.gz YNJKSYQHNHYIIZ-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP COCC1(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000563623907 290164543 /nfs/dbraw/zinc/16/45/43/290164543.db2.gz XSMBHKYABXYRMP-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP C(CC1CCCCC1)[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000563892844 290182138 /nfs/dbraw/zinc/18/21/38/290182138.db2.gz VRFYMJNVVRAVND-GOSISDBHSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Cl ZINC000563898686 290182549 /nfs/dbraw/zinc/18/25/49/290182549.db2.gz OLDOBVLKWZBDJX-FRRDWIJNSA-N 2 0 282.815 2.967 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccsc2)C1 ZINC000564319581 290202656 /nfs/dbraw/zinc/20/26/56/290202656.db2.gz XPOBHILZKPYYTK-UKRRQHHQSA-N 2 0 266.454 2.999 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000375835884 290218735 /nfs/dbraw/zinc/21/87/35/290218735.db2.gz ADZJGSNINDIYFO-GARJFASQSA-N 2 0 282.375 2.702 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000375835886 290218956 /nfs/dbraw/zinc/21/89/56/290218956.db2.gz ADZJGSNINDIYFO-OUAUKWLOSA-N 2 0 282.375 2.702 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000353682568 290220577 /nfs/dbraw/zinc/22/05/77/290220577.db2.gz OHUMDAPDGQBBRD-TXTZMMAHSA-N 2 0 292.467 2.654 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CCCc2cnccc2C)CC1 ZINC000564686419 290223521 /nfs/dbraw/zinc/22/35/21/290223521.db2.gz FYKWLMVZVIOEOY-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000564825963 290237196 /nfs/dbraw/zinc/23/71/96/290237196.db2.gz YLYNZMCUCWMSQA-RAEVTNRLSA-N 2 0 291.439 2.905 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000564846200 290239689 /nfs/dbraw/zinc/23/96/89/290239689.db2.gz IMGJWEXJLKZFKR-HNNXBMFYSA-N 2 0 290.451 2.922 20 0 CFADRP Cc1ccc2ccnc(N[C@H](C)CN3CCOCC3)c2c1 ZINC000564892975 290245428 /nfs/dbraw/zinc/24/54/28/290245428.db2.gz PTQTWUQGQZUMFT-CQSZACIVSA-N 2 0 285.391 2.676 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH2+]CC1 ZINC000565827592 290328004 /nfs/dbraw/zinc/32/80/04/290328004.db2.gz IDCFLTLHJBYGAE-CYBMUJFWSA-N 2 0 272.392 2.953 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000565827733 290328264 /nfs/dbraw/zinc/32/82/64/290328264.db2.gz FQMZTCHFNAHKCX-AWEZNQCLSA-N 2 0 264.413 2.733 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000566088479 290346486 /nfs/dbraw/zinc/34/64/86/290346486.db2.gz TVDMHYDQLKGCTM-QGZVFWFLSA-N 2 0 260.425 2.905 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566089589 290346928 /nfs/dbraw/zinc/34/69/28/290346928.db2.gz USCCRTYVLSDJDG-JWTNVVGKSA-N 2 0 288.435 2.984 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566089419 290346977 /nfs/dbraw/zinc/34/69/77/290346977.db2.gz RPMVBARWTTYEGD-DOMZBBRYSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC1(O)CCCC1 ZINC000566106654 290348217 /nfs/dbraw/zinc/34/82/17/290348217.db2.gz WHVQZJWSTANFIQ-OAHLLOKOSA-N 2 0 268.445 2.536 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000566113550 290349497 /nfs/dbraw/zinc/34/94/97/290349497.db2.gz PRDFNJGQPXYICV-MRXNPFEDSA-N 2 0 296.430 2.774 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CO1 ZINC000566219788 290359239 /nfs/dbraw/zinc/35/92/39/290359239.db2.gz FJPTVDJBEINVEH-HDEZJCGLSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1CCCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000566351256 290373973 /nfs/dbraw/zinc/37/39/73/290373973.db2.gz CJAMWPJDVACGMM-CQSZACIVSA-N 2 0 258.409 2.954 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1SC ZINC000423106456 292805665 /nfs/dbraw/zinc/80/56/65/292805665.db2.gz CVMWMDVDHKCAHB-CHWSQXEVSA-N 2 0 282.453 2.813 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCSC1 ZINC000224282537 290387490 /nfs/dbraw/zinc/38/74/90/290387490.db2.gz JIOJORFHYSAWJK-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)(C)c1csc(CN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000566482743 290393261 /nfs/dbraw/zinc/39/32/61/290393261.db2.gz QAYBEHKETQCDNQ-QWRGUYRKSA-N 2 0 267.442 2.800 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000566484018 290393943 /nfs/dbraw/zinc/39/39/43/290393943.db2.gz ZEDIUUXNZDMTIJ-TUKIKUTGSA-N 2 0 280.387 2.625 20 0 CFADRP Cc1cccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000568512164 290557032 /nfs/dbraw/zinc/55/70/32/290557032.db2.gz KBYICWVICCBIBC-QGZVFWFLSA-N 2 0 288.435 2.695 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)CCC[NH2+]1 ZINC000423411587 293295653 /nfs/dbraw/zinc/29/56/53/293295653.db2.gz GAUKXGLFCDTLFZ-OWCLPIDISA-N 2 0 268.445 2.559 20 0 CFADRP F[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335426168 294730687 /nfs/dbraw/zinc/73/06/87/294730687.db2.gz ZHZYPCFAYBPQNH-ZFWWWQNUSA-N 2 0 277.387 2.921 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1OC ZINC000423118705 295206824 /nfs/dbraw/zinc/20/68/24/295206824.db2.gz BZDTYBZAFKBJRF-IYXRBSQSSA-N 2 0 292.423 2.933 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2C(C)C)cc1 ZINC000420319458 295211885 /nfs/dbraw/zinc/21/18/85/295211885.db2.gz POIQVLABCVUTEK-DOTOQJQBSA-N 2 0 276.424 2.858 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000335215980 295212515 /nfs/dbraw/zinc/21/25/15/295212515.db2.gz LAMWYHKVSGXWMD-SSDMNJCBSA-N 2 0 278.371 2.899 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000347080375 295234609 /nfs/dbraw/zinc/23/46/09/295234609.db2.gz XIEJDVZRNABTHB-YCPHGPKFSA-N 2 0 276.424 2.858 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000423370715 295238697 /nfs/dbraw/zinc/23/86/97/295238697.db2.gz PSIVCGIWHCHIQJ-IHRRRGAJSA-N 2 0 262.397 2.924 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423268532 295248961 /nfs/dbraw/zinc/24/89/61/295248961.db2.gz DXHMEZHLOYLZJA-VIQHNZTISA-N 2 0 280.456 2.689 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH3+])CCCS2 ZINC000423310421 295271368 /nfs/dbraw/zinc/27/13/68/295271368.db2.gz RUBUPFMLNXFMFR-FZMZJTMJSA-N 2 0 280.437 2.807 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000415049680 295275629 /nfs/dbraw/zinc/27/56/29/295275629.db2.gz XTRGGMTWMHZRDP-XKGSQUFQSA-N 2 0 264.335 2.825 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)CC2)c1 ZINC000423124950 295291604 /nfs/dbraw/zinc/29/16/04/295291604.db2.gz PLPFNEZIALAKRC-RHSMWYFYSA-N 2 0 288.435 2.705 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422829238 295296414 /nfs/dbraw/zinc/29/64/14/295296414.db2.gz PTBCTMJKHRSBDW-CABCVRRESA-N 2 0 254.418 2.585 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000423373493 295306619 /nfs/dbraw/zinc/30/66/19/295306619.db2.gz HPIJUPKCNCCAHF-UMVBOHGHSA-N 2 0 260.381 2.760 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)c2ccccc21 ZINC000423113255 295325771 /nfs/dbraw/zinc/32/57/71/295325771.db2.gz KRPVDNYVYFWSJU-YIYPIFLZSA-N 2 0 282.334 2.881 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000414939073 297108136 /nfs/dbraw/zinc/10/81/36/297108136.db2.gz JCVTYLYQWOONNQ-SIXLDLHFSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2cccn2C)CC[NH2+]1 ZINC000414674242 297251718 /nfs/dbraw/zinc/25/17/18/297251718.db2.gz DKGWYTVNVBBOLG-IJEWVQPXSA-N 2 0 261.413 2.550 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@@H]1C ZINC000495079768 297283640 /nfs/dbraw/zinc/28/36/40/297283640.db2.gz BAAUMMRYJSEVHU-BRWVUGGUSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347061912 298362730 /nfs/dbraw/zinc/36/27/30/298362730.db2.gz ZFKUSJYVAPKYKK-CRAIPNDOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414920457 298385413 /nfs/dbraw/zinc/38/54/13/298385413.db2.gz XSILMTRPOOCLMA-MNOVXSKESA-N 2 0 252.324 2.839 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422747579 298390784 /nfs/dbraw/zinc/39/07/84/298390784.db2.gz QNHJRJBKAUBYEQ-DOMZBBRYSA-N 2 0 299.409 2.675 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000423007865 298392586 /nfs/dbraw/zinc/39/25/86/298392586.db2.gz YVWYGKCNCBRJEM-NFAWXSAZSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000415027344 298398078 /nfs/dbraw/zinc/39/80/78/298398078.db2.gz WHNULYYPPSMRKW-INMHGKMJSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422751934 298398734 /nfs/dbraw/zinc/39/87/34/298398734.db2.gz DHRYGYHNBIRJME-IUODEOHRSA-N 2 0 283.847 2.660 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423013528 298444645 /nfs/dbraw/zinc/44/46/45/298444645.db2.gz FZFZWNNRMPMCKP-YYIAUSFCSA-N 2 0 294.483 2.686 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000415084002 298878003 /nfs/dbraw/zinc/87/80/03/298878003.db2.gz ONQAAOQLLCKZMQ-ORIJERBGSA-N 2 0 274.408 2.671 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000422933050 298963320 /nfs/dbraw/zinc/96/33/20/298963320.db2.gz BDRZGUVVUXDBAE-COPLHBTASA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000414805256 299004331 /nfs/dbraw/zinc/00/43/31/299004331.db2.gz AIUPVYHLPDQLNF-SJWGOKEGSA-N 2 0 286.419 2.754 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cnn1C(C)C ZINC000423540974 301004034 /nfs/dbraw/zinc/00/40/34/301004034.db2.gz KGMJOKGFEGAGNT-LCGIIJARSA-N 2 0 290.455 2.811 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423207456 301004729 /nfs/dbraw/zinc/00/47/29/301004729.db2.gz CSOCNLIMBRCDEM-IPYPFGDCSA-N 2 0 278.444 2.811 20 0 CFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[NH3+])CCCO2 ZINC000423343531 301443313 /nfs/dbraw/zinc/44/33/13/301443313.db2.gz ZXCFEHZKKFFCCL-HNNXBMFYSA-N 2 0 262.397 2.846 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335044967 302886664 /nfs/dbraw/zinc/88/66/64/302886664.db2.gz WGWWCSDXUFYKQY-GJZGRUSLSA-N 2 0 280.799 2.512 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000335242751 303362027 /nfs/dbraw/zinc/36/20/27/303362027.db2.gz VCMLXRRODXUTEO-PIMMBPRGSA-N 2 0 260.381 2.760 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000335025409 303362170 /nfs/dbraw/zinc/36/21/70/303362170.db2.gz RMTRDYYALRWXKQ-SSDMNJCBSA-N 2 0 278.371 2.899 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000085129806 303362569 /nfs/dbraw/zinc/36/25/69/303362569.db2.gz IMKUNOKLPBUVIN-XKGSQUFQSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+]CCC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423181608 303379471 /nfs/dbraw/zinc/37/94/71/303379471.db2.gz GFSMWLJKMAYAGV-HNNXBMFYSA-N 2 0 250.361 2.995 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000423399758 303459612 /nfs/dbraw/zinc/45/96/12/303459612.db2.gz UYRUDUUVIKJCDV-NFAWXSAZSA-N 2 0 278.371 2.899 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000414789829 533702546 /nfs/dbraw/zinc/70/25/46/533702546.db2.gz FVEQYIXMVNHNQW-AAEUAGOBSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000164618003 322383203 /nfs/dbraw/zinc/38/32/03/322383203.db2.gz NCMXQTDOVGQCFC-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000570262199 322522652 /nfs/dbraw/zinc/52/26/52/322522652.db2.gz RMGDWNZYQRKVBA-PVAVHDDUSA-N 2 0 281.488 2.794 20 0 CFADRP CCc1cccc(OCC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000570697886 322546760 /nfs/dbraw/zinc/54/67/60/322546760.db2.gz ALYGJDMZFPUBHW-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000570785271 322551276 /nfs/dbraw/zinc/55/12/76/322551276.db2.gz HPLLAOVHTJWLHS-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)C1 ZINC000572060146 322605838 /nfs/dbraw/zinc/60/58/38/322605838.db2.gz SCUMJSFTGZPWJP-VVLHAWIVSA-N 2 0 274.408 2.624 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000572483736 322620458 /nfs/dbraw/zinc/62/04/58/322620458.db2.gz PPNIPGGUVHFMGV-UHTWSYAYSA-N 2 0 265.376 2.780 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C1 ZINC000573220592 322648916 /nfs/dbraw/zinc/64/89/16/322648916.db2.gz GRQUXYJLRRMKTC-WDMOLILDSA-N 2 0 264.344 2.509 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cn1 ZINC000573445468 322656614 /nfs/dbraw/zinc/65/66/14/322656614.db2.gz MLHLNAYCZRNWSH-UHFFFAOYSA-N 2 0 298.434 2.675 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000573506080 322659025 /nfs/dbraw/zinc/65/90/25/322659025.db2.gz PZHHPOGFKWWWJD-ZDUSSCGKSA-N 2 0 276.428 2.558 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000573545455 322659967 /nfs/dbraw/zinc/65/99/67/322659967.db2.gz DTKOXTCMSGCZLM-ZBFHGGJFSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000574071019 322679850 /nfs/dbraw/zinc/67/98/50/322679850.db2.gz NZEJQLJLAGUUAK-GANOOXTDSA-N 2 0 280.456 2.512 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000181698864 323820952 /nfs/dbraw/zinc/82/09/52/323820952.db2.gz UVJGFVRODLFXNP-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2nccnc2C)CC1 ZINC000187960608 324004953 /nfs/dbraw/zinc/00/49/53/324004953.db2.gz KRFOCINJAFLSDY-CQSZACIVSA-N 2 0 276.428 2.558 20 0 CFADRP Cc1c[nH+]ccc1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000191981811 324056133 /nfs/dbraw/zinc/05/61/33/324056133.db2.gz JTXDHXJZZQEPME-GJZGRUSLSA-N 2 0 277.412 2.691 20 0 CFADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000194855980 324096865 /nfs/dbraw/zinc/09/68/65/324096865.db2.gz WDNWPSNQDQJQLX-QGZVFWFLSA-N 2 0 298.471 2.630 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389949680 324522884 /nfs/dbraw/zinc/52/28/84/324522884.db2.gz RYXDUKHZCAENRX-GJZGRUSLSA-N 2 0 264.413 2.699 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000576338146 324604251 /nfs/dbraw/zinc/60/42/51/324604251.db2.gz SYEKHVXHWUAKGT-MRXNPFEDSA-N 2 0 274.408 2.798 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000576411503 324614449 /nfs/dbraw/zinc/61/44/49/324614449.db2.gz FYFYFBOLIAFJGB-KGLIPLIRSA-N 2 0 271.408 2.846 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000576598115 324636906 /nfs/dbraw/zinc/63/69/06/324636906.db2.gz FWAANSDXCSLGCH-SJORKVTESA-N 3 0 281.488 2.604 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000576836950 324665680 /nfs/dbraw/zinc/66/56/80/324665680.db2.gz GWGVXADZVWPNSX-JKSUJKDBSA-N 2 0 258.409 2.651 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000579207267 324931090 /nfs/dbraw/zinc/93/10/90/324931090.db2.gz LQLFUFSEHBIKET-UHFFFAOYSA-N 2 0 287.451 2.780 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000579931834 324991962 /nfs/dbraw/zinc/99/19/62/324991962.db2.gz LRLKTBISIFHTDY-GXTWGEPZSA-N 2 0 252.427 2.972 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000579960449 324994746 /nfs/dbraw/zinc/99/47/46/324994746.db2.gz SIFCRXXKKUPOKL-ZDUSSCGKSA-N 2 0 255.365 2.700 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])nc21 ZINC000580088668 325005888 /nfs/dbraw/zinc/00/58/88/325005888.db2.gz AOUVXIHCRFMVNP-ZIAGYGMSSA-N 2 0 287.407 2.928 20 0 CFADRP Cc1ccnc([C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000580090933 325007180 /nfs/dbraw/zinc/00/71/80/325007180.db2.gz KLAFZZQGCDOHNC-JKSUJKDBSA-N 2 0 273.424 2.664 20 0 CFADRP C1CC2(CCOCC2)[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000580218875 325018477 /nfs/dbraw/zinc/01/84/77/325018477.db2.gz HDSSVDMFHCLTJL-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000580311956 325024934 /nfs/dbraw/zinc/02/49/34/325024934.db2.gz YSMXXACJSMAZOD-OAGGEKHMSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000580551662 325045199 /nfs/dbraw/zinc/04/51/99/325045199.db2.gz XUVWSKYRUAAGNZ-CQSZACIVSA-N 2 0 284.407 2.556 20 0 CFADRP COc1c(C)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1C ZINC000580717395 325058432 /nfs/dbraw/zinc/05/84/32/325058432.db2.gz DMANQNYNMPULPE-UHFFFAOYSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000580777185 325063421 /nfs/dbraw/zinc/06/34/21/325063421.db2.gz LUJLLCZKJMWWRB-RDJZCZTQSA-N 2 0 294.483 2.639 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000581119304 325091537 /nfs/dbraw/zinc/09/15/37/325091537.db2.gz MWIWVRWNUXGJCE-DYEKYZERSA-N 2 0 252.427 2.786 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000581190692 325098822 /nfs/dbraw/zinc/09/88/22/325098822.db2.gz VOQWDSSUPCHGKO-INIZCTEOSA-N 2 0 289.423 2.657 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000581199836 325100465 /nfs/dbraw/zinc/10/04/65/325100465.db2.gz KEPINWZTJORDKX-QZWWFDLISA-N 2 0 274.408 2.766 20 0 CFADRP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000581245730 325103499 /nfs/dbraw/zinc/10/34/99/325103499.db2.gz USWSHGLHNIAVOY-BBWFWOEESA-N 2 0 298.434 2.616 20 0 CFADRP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000581245732 325103602 /nfs/dbraw/zinc/10/36/02/325103602.db2.gz USWSHGLHNIAVOY-GVDBMIGSSA-N 2 0 298.434 2.616 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581535970 325129422 /nfs/dbraw/zinc/12/94/22/325129422.db2.gz DYRAXDOVRHYPDG-IJEWVQPXSA-N 2 0 276.424 2.691 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000581608609 325136152 /nfs/dbraw/zinc/13/61/52/325136152.db2.gz ZEZPCDKWOYTEGD-MJBXVCDLSA-N 2 0 292.448 2.647 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000581720260 325145412 /nfs/dbraw/zinc/14/54/12/325145412.db2.gz BDIOBKOEAUSUNW-JKSUJKDBSA-N 2 0 276.424 2.822 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000581931248 325160682 /nfs/dbraw/zinc/16/06/82/325160682.db2.gz CFBLEZSIHHVICP-FLOBVVSRSA-N 2 0 296.418 2.682 20 0 CFADRP COc1ccsc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000582181201 325183357 /nfs/dbraw/zinc/18/33/57/325183357.db2.gz KPLAWIGLRUSRMW-UHFFFAOYSA-N 2 0 262.378 2.505 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000582271448 325191401 /nfs/dbraw/zinc/19/14/01/325191401.db2.gz ZUDAWNKKHWUACA-HRCADAONSA-N 2 0 289.467 2.986 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C)COC ZINC000582387790 325200455 /nfs/dbraw/zinc/20/04/55/325200455.db2.gz MBXINFIHDDMAIJ-OAHLLOKOSA-N 2 0 278.440 2.853 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)C1 ZINC000582615670 325220413 /nfs/dbraw/zinc/22/04/13/325220413.db2.gz AQCGNNGTSJSILB-GHMZBOCLSA-N 2 0 272.314 2.506 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000582660481 325223650 /nfs/dbraw/zinc/22/36/50/325223650.db2.gz YOCJYEUNOSNWBH-CPFNUKBASA-N 2 0 288.435 2.841 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cc(N)ccc2O1 ZINC000582772983 325232835 /nfs/dbraw/zinc/23/28/35/325232835.db2.gz MFZXUOGTSHESRK-DZGCQCFKSA-N 2 0 289.423 2.603 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000583090812 325259268 /nfs/dbraw/zinc/25/92/68/325259268.db2.gz OJHUNZRRJNLBMN-CVEARBPZSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000583263827 325272838 /nfs/dbraw/zinc/27/28/38/325272838.db2.gz VJKYOXWPJDDLGO-SJORKVTESA-N 2 0 258.409 2.995 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000583309747 325276752 /nfs/dbraw/zinc/27/67/52/325276752.db2.gz MHHNDFVCBXKIGK-HNNXBMFYSA-N 2 0 262.397 2.565 20 0 CFADRP Cc1ncc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1C ZINC000583392578 325284194 /nfs/dbraw/zinc/28/41/94/325284194.db2.gz KJTNOXDTRZPRKS-UHFFFAOYSA-N 2 0 292.471 2.576 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000583428397 325286902 /nfs/dbraw/zinc/28/69/02/325286902.db2.gz FSABNJAZAXXGLD-DGCLKSJQSA-N 2 0 252.427 2.843 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000583435082 325287144 /nfs/dbraw/zinc/28/71/44/325287144.db2.gz IZJMFOVXAWKCEH-DZGCQCFKSA-N 2 0 259.397 2.579 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000583746863 325307076 /nfs/dbraw/zinc/30/70/76/325307076.db2.gz HRIUZMKJBQIBRL-ZDUSSCGKSA-N 2 0 250.386 2.734 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584004814 325324690 /nfs/dbraw/zinc/32/46/90/325324690.db2.gz WFXGLKICSVKFNH-RFQIPJPRSA-N 2 0 256.459 2.910 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000584166752 325334633 /nfs/dbraw/zinc/33/46/33/325334633.db2.gz UWZGEYPYFDXRCG-GFCCVEGCSA-N 2 0 279.453 2.672 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000584301752 325344969 /nfs/dbraw/zinc/34/49/69/325344969.db2.gz CPTMOXLRNWPAGS-RYUDHWBXSA-N 2 0 281.469 2.843 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000584398312 329455288 /nfs/dbraw/zinc/45/52/88/329455288.db2.gz ZKNFQCZQAJRKTC-CYBMUJFWSA-N 2 0 287.407 2.851 20 0 CFADRP CC(C)CC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000361289462 519692191 /nfs/dbraw/zinc/69/21/91/519692191.db2.gz SGHNWZZSXVULNI-HOTGVXAUSA-N 2 0 270.461 2.590 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCC2CCOCC2)CC1 ZINC000361460444 519843949 /nfs/dbraw/zinc/84/39/49/519843949.db2.gz XIYMCGPOKAKCBI-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1C(F)(F)F ZINC000414896373 533730493 /nfs/dbraw/zinc/73/04/93/533730493.db2.gz OVGBDUDYJMKIIL-SNVBAGLBSA-N 2 0 260.303 2.841 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000414832389 533761451 /nfs/dbraw/zinc/76/14/51/533761451.db2.gz QJYCDUWWEOFYBK-SOLBZPMBSA-N 2 0 293.499 2.619 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000423126105 533768972 /nfs/dbraw/zinc/76/89/72/533768972.db2.gz AQVCCDWLGMBCLL-GXTWGEPZSA-N 2 0 282.815 2.608 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423134961 533769876 /nfs/dbraw/zinc/76/98/76/533769876.db2.gz NDWBZLASUJXVQF-WFASDCNBSA-N 2 0 296.842 2.869 20 0 CFADRP C[C@@H](C[NH3+])CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423307491 533769905 /nfs/dbraw/zinc/76/99/05/533769905.db2.gz NIUQOYJTKRTCHF-AWEZNQCLSA-N 2 0 283.504 2.850 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422730196 533784736 /nfs/dbraw/zinc/78/47/36/533784736.db2.gz LTFNEADXZOZOFX-YQQAZPJKSA-N 2 0 289.467 2.846 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422769137 533790570 /nfs/dbraw/zinc/79/05/70/533790570.db2.gz UMZMWSUEPCCBEJ-YYIAUSFCSA-N 2 0 295.515 2.993 20 0 CFADRP C[C@H]([NH2+]C1(Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422960845 533791499 /nfs/dbraw/zinc/79/14/99/533791499.db2.gz XXZWSAZEAPNGIN-GOEBONIOSA-N 2 0 258.409 2.882 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422894412 533792935 /nfs/dbraw/zinc/79/29/35/533792935.db2.gz CBSBGWIPGUFJJZ-KGLIPLIRSA-N 2 0 282.815 2.887 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422894471 533793300 /nfs/dbraw/zinc/79/33/00/533793300.db2.gz CIYLEBTYQXYAQS-GFCCVEGCSA-N 2 0 282.815 2.615 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888075 533798399 /nfs/dbraw/zinc/79/83/99/533798399.db2.gz ZZZVCMRHZRACFK-FVGDGBDSSA-N 3 0 293.499 2.617 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2ccnc2)cc1 ZINC000422755465 533813226 /nfs/dbraw/zinc/81/32/26/533813226.db2.gz HXJHXYUGDIGZPV-JTUUTPGSSA-N 2 0 296.418 2.806 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331259 533818110 /nfs/dbraw/zinc/81/81/10/533818110.db2.gz CPYCOYJCEFAEEY-OAHLLOKOSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc2ccccc2n1 ZINC000422776261 533845301 /nfs/dbraw/zinc/84/53/01/533845301.db2.gz CLNWPWBPCZXFIV-CQSZACIVSA-N 2 0 271.408 2.884 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423124909 533845346 /nfs/dbraw/zinc/84/53/46/533845346.db2.gz MYRYHIXJWOACNC-OLZOCXBDSA-N 2 0 284.831 2.523 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422832216 533847284 /nfs/dbraw/zinc/84/72/84/533847284.db2.gz KTXRKKNRVIOFLZ-HZPDHXFCSA-N 2 0 275.440 2.620 20 0 CFADRP C[C@H](NCCC[N@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422810754 533843910 /nfs/dbraw/zinc/84/39/10/533843910.db2.gz UUMZACLIQFTQDX-AWEZNQCLSA-N 2 0 290.455 2.799 20 0 CFADRP C[C@H]([NH2+]CCCCOc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422935985 533844375 /nfs/dbraw/zinc/84/43/75/533844375.db2.gz LMFHFEYITSQEGL-LBPRGKRZSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422868016 533852379 /nfs/dbraw/zinc/85/23/79/533852379.db2.gz UHNLXJSEBRYUMX-OLZOCXBDSA-N 2 0 297.393 2.651 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000422805036 533852815 /nfs/dbraw/zinc/85/28/15/533852815.db2.gz LMQMRWSUSQQDBG-SJLPKXTDSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423143162 533868207 /nfs/dbraw/zinc/86/82/07/533868207.db2.gz CMEOFDKWKXNGEE-LXZKKBNFSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000422824184 533873265 /nfs/dbraw/zinc/87/32/65/533873265.db2.gz GIXYZQDOJIKNPF-TZMCWYRMSA-N 2 0 275.421 2.950 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000422701095 533873910 /nfs/dbraw/zinc/87/39/10/533873910.db2.gz BHJOTRQIODFXQY-PBHICJAKSA-N 2 0 269.392 2.888 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000422762418 533869939 /nfs/dbraw/zinc/86/99/39/533869939.db2.gz NTXIHMGUGQWXSP-MCIONIFRSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423131854 533874874 /nfs/dbraw/zinc/87/48/74/533874874.db2.gz OPWLFWWNJQTRIV-UXIGCNINSA-N 2 0 250.361 2.789 20 0 CFADRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1C ZINC000414973230 533875057 /nfs/dbraw/zinc/87/50/57/533875057.db2.gz ZAFOIERMTCGIDS-OAHLLOKOSA-N 2 0 262.397 2.625 20 0 CFADRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000414825512 533875503 /nfs/dbraw/zinc/87/55/03/533875503.db2.gz CJZWMRAHAPZKJE-AWEZNQCLSA-N 2 0 292.423 2.572 20 0 CFADRP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414702888 533876752 /nfs/dbraw/zinc/87/67/52/533876752.db2.gz VLCGBQTXKAPXCA-YPMHNXCESA-N 2 0 252.427 2.876 20 0 CFADRP C[C@@H](OCCC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422791368 533881512 /nfs/dbraw/zinc/88/15/12/533881512.db2.gz UYPMXQOGAKGCBH-SOUVJXGZSA-N 2 0 264.413 2.870 20 0 CFADRP C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422794573 533917498 /nfs/dbraw/zinc/91/74/98/533917498.db2.gz ZBQPYJNXACJHIN-YJBOKZPZSA-N 2 0 287.451 2.513 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000414855814 533918391 /nfs/dbraw/zinc/91/83/91/533918391.db2.gz NSSPVBYJVKUIPF-JQWIXIFHSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414855367 533921458 /nfs/dbraw/zinc/92/14/58/533921458.db2.gz MYVVXSJRBJFMBK-GXTWGEPZSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414165895 533936961 /nfs/dbraw/zinc/93/69/61/533936961.db2.gz QILAVVXCHTVNMY-IJEWVQPXSA-N 2 0 291.439 2.546 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414856656 533949191 /nfs/dbraw/zinc/94/91/91/533949191.db2.gz YWGDEQWOFJAXGD-PXTSUWAFSA-N 2 0 274.408 2.688 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422767584 533951383 /nfs/dbraw/zinc/95/13/83/533951383.db2.gz SXWUHPZWNNAELV-DGAVXFQQSA-N 2 0 256.459 2.781 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000425339627 533989638 /nfs/dbraw/zinc/98/96/38/533989638.db2.gz CVXHSOWLWKJGLT-GOEBONIOSA-N 2 0 294.464 2.611 20 0 CFADRP COc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422847388 533999706 /nfs/dbraw/zinc/99/97/06/533999706.db2.gz RJQSLCOGAHNUBD-YIONKMFJSA-N 2 0 286.419 2.599 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422965100 534000543 /nfs/dbraw/zinc/00/05/43/534000543.db2.gz NSJBDCKFYPFTKP-IYXRBSQSSA-N 2 0 250.386 2.708 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425929877 534003006 /nfs/dbraw/zinc/00/30/06/534003006.db2.gz HETSZRHEZHFSKE-QWHCGFSZSA-N 2 0 254.443 2.857 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000425342413 534003571 /nfs/dbraw/zinc/00/35/71/534003571.db2.gz HENUGJUFWDUZJJ-HUUCEWRRSA-N 2 0 282.428 2.871 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000425365240 534003672 /nfs/dbraw/zinc/00/36/72/534003672.db2.gz YAHBLTQDJLDJBO-MGPQQGTHSA-N 2 0 256.459 2.590 20 0 CFADRP COc1ccccc1CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422755950 534047695 /nfs/dbraw/zinc/04/76/95/534047695.db2.gz IHLCNOYMAMWADS-MAUKXSAKSA-N 2 0 298.430 2.786 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423316299 534048219 /nfs/dbraw/zinc/04/82/19/534048219.db2.gz ZXUDPHBUJVIIQX-FAEJEUNOSA-N 3 0 289.467 2.614 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000414831204 534059144 /nfs/dbraw/zinc/05/91/44/534059144.db2.gz MVKXBIFUGCFNQG-GFCCVEGCSA-N 2 0 252.789 2.738 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221284 534064739 /nfs/dbraw/zinc/06/47/39/534064739.db2.gz ZSGKZKQPNPCBQO-HSMVNMDESA-N 2 0 262.372 2.648 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957389 534068034 /nfs/dbraw/zinc/06/80/34/534068034.db2.gz TVJBAEBZQDIYOR-ABAIWWIYSA-N 2 0 284.806 2.999 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422739336 534066524 /nfs/dbraw/zinc/06/65/24/534066524.db2.gz LCTNZGMUGBJIDN-AEFFLSMTSA-N 2 0 289.467 2.881 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422909435 534068153 /nfs/dbraw/zinc/06/81/53/534068153.db2.gz OAFAHZCIWZOELB-CJNGLKHVSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423096823 534068411 /nfs/dbraw/zinc/06/84/11/534068411.db2.gz IEFLBGKQVOARTR-CJNGLKHVSA-N 2 0 271.408 2.688 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000423171660 534072200 /nfs/dbraw/zinc/07/22/00/534072200.db2.gz PKVGXQGNBBBKLG-CJNGLKHVSA-N 2 0 275.440 2.857 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(OC(C)C)c1 ZINC000422873510 534089276 /nfs/dbraw/zinc/08/92/76/534089276.db2.gz LIBCFPACZCTHKM-HOCLYGCPSA-N 2 0 276.424 2.999 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422761169 534106256 /nfs/dbraw/zinc/10/62/56/534106256.db2.gz HIMGCXVJSDSNBL-ZIAGYGMSSA-N 2 0 266.454 2.944 20 0 CFADRP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000422869907 534111627 /nfs/dbraw/zinc/11/16/27/534111627.db2.gz BAJUCVABOWFDAS-NFEZDNKESA-N 2 0 299.462 2.522 20 0 CFADRP COc1ccccc1C[C@H]([NH2+]CCCC[NH3+])C(C)C ZINC000423335057 534120473 /nfs/dbraw/zinc/12/04/73/534120473.db2.gz TVLVKWISFAYAEA-HNNXBMFYSA-N 2 0 264.413 2.591 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000422771088 534123391 /nfs/dbraw/zinc/12/33/91/534123391.db2.gz VJHJZPGLLJHVTJ-OSMZGAPFSA-N 2 0 252.427 2.718 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422877521 534147657 /nfs/dbraw/zinc/14/76/57/534147657.db2.gz RPCUWAZCZIUWHC-VXGBXAGGSA-N 2 0 252.427 2.932 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422857149 534160142 /nfs/dbraw/zinc/16/01/42/534160142.db2.gz HBKNIRXZKJMSCW-BRSBDYLESA-N 2 0 293.499 2.761 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCC[NH2+]C1 ZINC000414897086 534175996 /nfs/dbraw/zinc/17/59/96/534175996.db2.gz DGOLTDVEUOQSAA-AWEZNQCLSA-N 2 0 270.779 2.958 20 0 CFADRP C[C@]1(C[NH2+]Cc2cc(Cl)cs2)CCC[NH2+]C1 ZINC000414901983 534176900 /nfs/dbraw/zinc/17/69/00/534176900.db2.gz GSKMKGJHUQAHMC-LBPRGKRZSA-N 2 0 258.818 2.881 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422838278 534177588 /nfs/dbraw/zinc/17/75/88/534177588.db2.gz NZTXNOGBGAPQSC-CUSZFKRNSA-N 2 0 289.467 2.755 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nccs1 ZINC000422910789 534178805 /nfs/dbraw/zinc/17/88/05/534178805.db2.gz JGUJBSLLMRWMSL-DZGCQCFKSA-N 2 0 289.448 2.624 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423096253 534200554 /nfs/dbraw/zinc/20/05/54/534200554.db2.gz OHYXBSPROBOIGP-CJNGLKHVSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)CC[NH3+])s2)o1 ZINC000414882668 534217393 /nfs/dbraw/zinc/21/73/93/534217393.db2.gz MIEXNBWFIOSVPS-SECBINFHSA-N 2 0 265.382 2.538 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920460 534232217 /nfs/dbraw/zinc/23/22/17/534232217.db2.gz ZLLYHYUTGNEFRG-BBRMVZONSA-N 2 0 264.388 2.736 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423282090 534337597 /nfs/dbraw/zinc/33/75/97/534337597.db2.gz UVUMNLKBFIBHKF-GMXVVIOVSA-N 2 0 296.436 2.703 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN(C)c1ccccc1 ZINC000422814986 534350219 /nfs/dbraw/zinc/35/02/19/534350219.db2.gz WTQIBKXOTRBRIL-CQSZACIVSA-N 2 0 298.434 2.636 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000300297789 518694964 /nfs/dbraw/zinc/69/49/64/518694964.db2.gz FLQKOZWFAMLZDG-YHUYYLMFSA-N 2 0 282.472 2.684 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422987900 534407150 /nfs/dbraw/zinc/40/71/50/534407150.db2.gz HSFQQKPDULXVET-DUQPFJRNSA-N 2 0 294.483 2.828 20 0 CFADRP FC(F)(F)Oc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414830005 534407428 /nfs/dbraw/zinc/40/74/28/534407428.db2.gz LMMFGYOBXMWNJI-LLVKDONJSA-N 2 0 288.313 2.674 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300687992 519616423 /nfs/dbraw/zinc/61/64/23/519616423.db2.gz YOCXZYDCJUJJIZ-BRWVUGGUSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000221792196 519617687 /nfs/dbraw/zinc/61/76/87/519617687.db2.gz HWCZHLLDAFKCEN-KRWDZBQOSA-N 2 0 260.425 2.864 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000156652074 519672734 /nfs/dbraw/zinc/67/27/34/519672734.db2.gz BTNJSSCNXGXVCU-UHFFFAOYSA-N 2 0 268.445 2.795 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)c3ccccc32)CC1 ZINC000364951338 519673015 /nfs/dbraw/zinc/67/30/15/519673015.db2.gz GAFSYJOZOBALSD-RDTXWAMCSA-N 2 0 288.435 2.670 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000338690966 519682778 /nfs/dbraw/zinc/68/27/78/519682778.db2.gz WFJQLBXUYDRJPK-GOSISDBHSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306538036 519697952 /nfs/dbraw/zinc/69/79/52/519697952.db2.gz MAAFHPJVCQWBGD-SJORKVTESA-N 2 0 258.409 2.849 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049554011 519779683 /nfs/dbraw/zinc/77/96/83/519779683.db2.gz RKDIYASQNISTNC-AWEZNQCLSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305114236 519808384 /nfs/dbraw/zinc/80/83/84/519808384.db2.gz HFYNSSWEDXPJQU-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000312225834 519847481 /nfs/dbraw/zinc/84/74/81/519847481.db2.gz CEQBLQGBWINADM-CHWSQXEVSA-N 2 0 294.361 2.560 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305372319 519886505 /nfs/dbraw/zinc/88/65/05/519886505.db2.gz XYKHXSKWBTVBIC-HUUCEWRRSA-N 2 0 268.445 2.534 20 0 CFADRP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1C(F)(F)F ZINC000414837943 534468179 /nfs/dbraw/zinc/46/81/79/534468179.db2.gz WNVTVGUBHJOVES-LLVKDONJSA-N 2 0 290.304 2.934 20 0 CFADRP c1cc(COc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)ccn1 ZINC000414785472 534469495 /nfs/dbraw/zinc/46/94/95/534469495.db2.gz IYTGVCXGPLAQQK-UHFFFAOYSA-N 2 0 297.402 2.502 20 0 CFADRP CCCCC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000360444979 520179691 /nfs/dbraw/zinc/17/96/91/520179691.db2.gz GEYYDRSHWIAQOL-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccnc2)cc1 ZINC000423248744 534494347 /nfs/dbraw/zinc/49/43/47/534494347.db2.gz NRZMMLZONVLMHV-KSSFIOAISA-N 2 0 299.393 2.899 20 0 CFADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337143 534496209 /nfs/dbraw/zinc/49/62/09/534496209.db2.gz HJCWMTFUFRTAGI-IAGOWNOFSA-N 2 0 274.383 2.971 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000334843530 520499491 /nfs/dbraw/zinc/49/94/91/520499491.db2.gz RDIZJCNGVHGIFI-INIZCTEOSA-N 2 0 269.392 2.713 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422767178 534497174 /nfs/dbraw/zinc/49/71/74/534497174.db2.gz YHURISGJKCNMLE-KZNAEPCWSA-N 2 0 287.451 2.999 20 0 CFADRP CC1(C)C[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000232852072 520567483 /nfs/dbraw/zinc/56/74/83/520567483.db2.gz JOBUYOYNHDEGDK-ZDUSSCGKSA-N 2 0 259.397 2.686 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000224589331 520573326 /nfs/dbraw/zinc/57/33/26/520573326.db2.gz PZXUMSAVMIUYFH-KBPBESRZSA-N 2 0 256.434 2.510 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)C12CCC2 ZINC000087708786 520574322 /nfs/dbraw/zinc/57/43/22/520574322.db2.gz OPKRKITVTABHTB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CCC2)c1 ZINC000423550233 534511695 /nfs/dbraw/zinc/51/16/95/534511695.db2.gz SRRKLSDKHVYFKE-DZOHQFGASA-N 2 0 285.435 2.901 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H](C)OC ZINC000361927294 520722970 /nfs/dbraw/zinc/72/29/70/520722970.db2.gz SOALPVAZUJURMM-VGWMRTNUSA-N 2 0 270.461 2.900 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300697140 521094849 /nfs/dbraw/zinc/09/48/49/521094849.db2.gz MAOXJCWCVNZSDP-YYIAUSFCSA-N 2 0 282.472 2.686 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300697139 521094870 /nfs/dbraw/zinc/09/48/70/521094870.db2.gz MAOXJCWCVNZSDP-QBPKDAKJSA-N 2 0 282.472 2.686 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000227432468 521096013 /nfs/dbraw/zinc/09/60/13/521096013.db2.gz UHNHFDGCEYRVMY-OAGGEKHMSA-N 2 0 270.461 2.686 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227417181 521096077 /nfs/dbraw/zinc/09/60/77/521096077.db2.gz RJSDSCWYSPQTKJ-DAXOMENPSA-N 2 0 262.397 2.520 20 0 CFADRP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000340700135 521235366 /nfs/dbraw/zinc/23/53/66/521235366.db2.gz BAHSRXUCOPVCMH-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP CCCc1csc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357045696 521454415 /nfs/dbraw/zinc/45/44/15/521454415.db2.gz IAISHQWDRKXBBK-CQSZACIVSA-N 2 0 293.480 2.917 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](COC)CC(C)C)CC1 ZINC000361766130 521549694 /nfs/dbraw/zinc/54/96/94/521549694.db2.gz MHVAJAMWQQCTQP-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192465964 521617924 /nfs/dbraw/zinc/61/79/24/521617924.db2.gz YFDPFYNGEOMFMB-XIRDDKMYSA-N 2 0 282.472 2.902 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300709537 521622168 /nfs/dbraw/zinc/62/21/68/521622168.db2.gz ICPIGODKIRIPRT-NUEKZKHPSA-N 2 0 270.461 2.684 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163867861 521646732 /nfs/dbraw/zinc/64/67/32/521646732.db2.gz LXFPJPSYIGMUCC-CVEARBPZSA-N 2 0 269.477 2.571 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000155557488 521694765 /nfs/dbraw/zinc/69/47/65/521694765.db2.gz QHJAASVHLLKGKN-HIFRSBDPSA-N 2 0 295.496 2.733 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(OC)cc32)C1 ZINC000245407966 521711455 /nfs/dbraw/zinc/71/14/55/521711455.db2.gz DXDFQTLFOURNNW-GUYCJALGSA-N 2 0 274.408 2.614 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccncc2)[C@H](C)C1 ZINC000360472590 521712940 /nfs/dbraw/zinc/71/29/40/521712940.db2.gz GZDOFNYBTXSQTG-NVXWUHKLSA-N 2 0 275.440 2.676 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCC2)[C@H](C)C1 ZINC000361550297 521713709 /nfs/dbraw/zinc/71/37/09/521713709.db2.gz RMHVGQVOCGWEPI-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159076850 521716334 /nfs/dbraw/zinc/71/63/34/521716334.db2.gz KYCKLBFLBRIJOC-IAGOWNOFSA-N 2 0 258.409 2.993 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)C1 ZINC000354164635 521717840 /nfs/dbraw/zinc/71/78/40/521717840.db2.gz PLPOZSIRSQFVNB-QWHCGFSZSA-N 2 0 252.446 2.989 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339354120 521796347 /nfs/dbraw/zinc/79/63/47/521796347.db2.gz COPDWJBRXHRJNH-UHFFFAOYSA-N 2 0 276.424 2.622 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2(Cc3ccccc3)CC2)CC1 ZINC000423045607 534594334 /nfs/dbraw/zinc/59/43/34/534594334.db2.gz CJHZXQMGFPPBLY-UHFFFAOYSA-N 2 0 258.409 2.869 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000422844433 534594416 /nfs/dbraw/zinc/59/44/16/534594416.db2.gz LTZPEMPRFRUZLG-UHFFFAOYSA-N 2 0 268.351 2.614 20 0 CFADRP CC[C@@H](C)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161914861 521988215 /nfs/dbraw/zinc/98/82/15/521988215.db2.gz JVNIAZMUTNTGIX-MRXNPFEDSA-N 2 0 282.472 2.857 20 0 CFADRP CC[C@H](C)[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305168286 521998093 /nfs/dbraw/zinc/99/80/93/521998093.db2.gz ZAIIKAMCBQAYAZ-WMLDXEAASA-N 2 0 282.472 2.780 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000423329211 534606134 /nfs/dbraw/zinc/60/61/34/534606134.db2.gz OGIHZDKVYNTVNM-INIZCTEOSA-N 2 0 291.345 2.778 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414905848 534606434 /nfs/dbraw/zinc/60/64/34/534606434.db2.gz OOCVUWSZFNFGPE-CABCVRRESA-N 2 0 250.361 2.790 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334998298 522054686 /nfs/dbraw/zinc/05/46/86/522054686.db2.gz OTFLSDMYPVLPNM-BLLLJJGKSA-N 2 0 262.372 2.744 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423197417 534615429 /nfs/dbraw/zinc/61/54/29/534615429.db2.gz ZHKRUNIXOHSIAY-LLVKDONJSA-N 2 0 289.242 2.900 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000423196480 534615893 /nfs/dbraw/zinc/61/58/93/534615893.db2.gz VLQQUYBJQBSLKM-GXTWGEPZSA-N 2 0 252.789 2.915 20 0 CFADRP COC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000237166233 522249333 /nfs/dbraw/zinc/24/93/33/522249333.db2.gz APSROJACNHAWRR-OAHLLOKOSA-N 2 0 276.424 2.797 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360428311 522285527 /nfs/dbraw/zinc/28/55/27/522285527.db2.gz MWKZJPJPIBWUKS-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000234751035 522287990 /nfs/dbraw/zinc/28/79/90/522287990.db2.gz GWWRUVMQDQBHSY-BXUZGUMPSA-N 2 0 270.804 2.745 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173787110 522289931 /nfs/dbraw/zinc/28/99/31/522289931.db2.gz HECHIFVLXNUNOI-INIZCTEOSA-N 2 0 287.451 2.670 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCOCC[NH3+] ZINC000357067628 522303426 /nfs/dbraw/zinc/30/34/26/522303426.db2.gz CVHCSHSWNPKADY-QGZVFWFLSA-N 2 0 278.440 2.613 20 0 CFADRP Clc1cc2cccnc2c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414827459 534632910 /nfs/dbraw/zinc/63/29/10/534632910.db2.gz GZJZUDPRSLCBCL-LBPRGKRZSA-N 2 0 289.810 2.977 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2n1 ZINC000361691345 522477571 /nfs/dbraw/zinc/47/75/71/522477571.db2.gz CKDATGMOWGYRPL-CZUORRHYSA-N 2 0 299.418 2.673 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428053737 534638923 /nfs/dbraw/zinc/63/89/23/534638923.db2.gz MJJLZLXUJFKWPU-GDBMZVCRSA-N 2 0 278.827 2.956 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475823 522520252 /nfs/dbraw/zinc/52/02/52/522520252.db2.gz BEXOSMBEZKXVET-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@H]1CCOC1 ZINC000155836471 522581379 /nfs/dbraw/zinc/58/13/79/522581379.db2.gz ZGXVANWIKLPPKT-HOTGVXAUSA-N 2 0 270.461 2.900 20 0 CFADRP COC1(C[NH+]2CCC(CC[NH+](C)C)CC2)CCCC1 ZINC000361571089 522601654 /nfs/dbraw/zinc/60/16/54/522601654.db2.gz HLCRMXWBSOHQAM-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423331756 534648287 /nfs/dbraw/zinc/64/82/87/534648287.db2.gz UVAYVCGDECEGSH-UKRRQHHQSA-N 2 0 264.800 2.785 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000234795524 522669061 /nfs/dbraw/zinc/66/90/61/522669061.db2.gz LAITVVMEBJZLRD-LBPRGKRZSA-N 2 0 290.329 2.549 20 0 CFADRP C[N@H+](CCCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000339411679 522738862 /nfs/dbraw/zinc/73/88/62/522738862.db2.gz ISNPUVHVNBPBGL-MRXNPFEDSA-N 2 0 276.424 2.920 20 0 CFADRP C[N@H+](CCCCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000226436593 522741796 /nfs/dbraw/zinc/74/17/96/522741796.db2.gz RNHPGKGWEVHQRV-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1cccs1 ZINC000234033822 522746050 /nfs/dbraw/zinc/74/60/50/522746050.db2.gz XOGZLZJMBRPUOF-NEPJUHHUSA-N 2 0 256.415 2.543 20 0 CFADRP C[N@H+](CCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000231669486 522786405 /nfs/dbraw/zinc/78/64/05/522786405.db2.gz FBCCAGRBSNYYPP-OAHLLOKOSA-N 2 0 262.397 2.529 20 0 CFADRP CN(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339431667 522840541 /nfs/dbraw/zinc/84/05/41/522840541.db2.gz SFKPDEYUXGTVDP-GOSISDBHSA-N 2 0 287.451 2.541 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1OC ZINC000049553889 522940412 /nfs/dbraw/zinc/94/04/12/522940412.db2.gz HTBHUWSDBPGBII-KGLIPLIRSA-N 2 0 294.439 2.832 20 0 CFADRP COc1cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1F ZINC000215516257 522943174 /nfs/dbraw/zinc/94/31/74/522943174.db2.gz OONDZZFLLKZWGJ-PKSQDBQZSA-N 2 0 266.360 2.755 20 0 CFADRP CC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158983515 522993213 /nfs/dbraw/zinc/99/32/13/522993213.db2.gz JERWMDKPBHNTBS-NVXWUHKLSA-N 2 0 282.472 2.734 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H](C)CCC[NH3+] ZINC000422948343 534680720 /nfs/dbraw/zinc/68/07/20/534680720.db2.gz REASJHCCXSPZKR-HNNXBMFYSA-N 2 0 264.413 2.789 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCOC(C)(C)C)CC[C@H]21 ZINC000354805713 523833822 /nfs/dbraw/zinc/83/38/22/523833822.db2.gz JZAFRNZATGFTKQ-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000311170378 523858003 /nfs/dbraw/zinc/85/80/03/523858003.db2.gz SIVLXYURXGVILP-STQMWFEESA-N 2 0 250.386 2.782 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309741755 523890761 /nfs/dbraw/zinc/89/07/61/523890761.db2.gz SDRWVDSUWRSRGT-NUJGCVRESA-N 2 0 290.451 2.912 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000366300383 523897988 /nfs/dbraw/zinc/89/79/88/523897988.db2.gz RHBJXMVWOGRJPS-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000459724493 536384280 /nfs/dbraw/zinc/38/42/80/536384280.db2.gz FAHNETMTUZVOKQ-CQSZACIVSA-N 2 0 299.418 2.762 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@H]2[C@H]1c1ccccc1 ZINC000360778915 524016723 /nfs/dbraw/zinc/01/67/23/524016723.db2.gz YPODLCOQANGPDA-KZNAEPCWSA-N 2 0 281.403 2.749 20 0 CFADRP CN1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc21 ZINC000364851597 524021935 /nfs/dbraw/zinc/02/19/35/524021935.db2.gz FGNWKIQOZCPDPT-JQHSSLGASA-N 2 0 299.462 2.512 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000364849708 524046677 /nfs/dbraw/zinc/04/66/77/524046677.db2.gz BXISNGWOSVLRHH-ARFHVFGLSA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1Cl ZINC000086585808 524069968 /nfs/dbraw/zinc/06/99/68/524069968.db2.gz LCMDHXQVYJOZIM-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000229265361 524086935 /nfs/dbraw/zinc/08/69/35/524086935.db2.gz YPJHTEMWDAEOBL-SMDDNHRTSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000049553721 524166908 /nfs/dbraw/zinc/16/69/08/524166908.db2.gz FYBBAFXLRXLZSH-CABCVRRESA-N 2 0 286.423 2.863 20 0 CFADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCC2)CC12CCC2 ZINC000361987915 524286260 /nfs/dbraw/zinc/28/62/60/524286260.db2.gz CSBROYKJHAXULK-HNNXBMFYSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c21 ZINC000422710846 534775547 /nfs/dbraw/zinc/77/55/47/534775547.db2.gz GERPULBEJVOHIG-ZFWWWQNUSA-N 2 0 271.408 2.749 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000151513027 524372234 /nfs/dbraw/zinc/37/22/34/524372234.db2.gz XGKBWLCXMGSJFG-IAGOWNOFSA-N 2 0 296.499 2.981 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000336401552 524439358 /nfs/dbraw/zinc/43/93/58/524439358.db2.gz LMKPHQHPLNXZCG-AWEZNQCLSA-N 2 0 264.438 2.878 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000310323069 524456334 /nfs/dbraw/zinc/45/63/34/524456334.db2.gz ZJOIZKOFRKIVIC-AAEUAGOBSA-N 2 0 250.411 2.941 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000310854192 524456738 /nfs/dbraw/zinc/45/67/38/524456738.db2.gz JJTCAQOZXUNRTC-JTQLQIEISA-N 2 0 260.303 2.922 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1 ZINC000192996991 524481392 /nfs/dbraw/zinc/48/13/92/524481392.db2.gz BIXZLRQQBJNRKL-WZYMTQMTSA-N 2 0 274.408 2.669 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C[NH+](C)C ZINC000310179027 524492993 /nfs/dbraw/zinc/49/29/93/524492993.db2.gz VVYFMSKWNZIQIU-MNOVXSKESA-N 2 0 254.340 2.895 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(F)cc1F ZINC000361792710 524497208 /nfs/dbraw/zinc/49/72/08/524497208.db2.gz PWVZXLZDTZNAGW-XHBSWPGZSA-N 2 0 282.378 2.998 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000157528131 524549121 /nfs/dbraw/zinc/54/91/21/524549121.db2.gz SOMBCSGTBSWTSH-INIZCTEOSA-N 2 0 292.471 2.906 20 0 CFADRP Cc1cc(C)n([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000363460267 524559525 /nfs/dbraw/zinc/55/95/25/524559525.db2.gz ZORLVQDWCJLIAG-IRXDYDNUSA-N 2 0 290.455 2.621 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000158209435 524560851 /nfs/dbraw/zinc/56/08/51/524560851.db2.gz NNHFOCNNJFZNEY-WFASDCNBSA-N 2 0 258.365 2.863 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000360835927 524561177 /nfs/dbraw/zinc/56/11/77/524561177.db2.gz POIUYVMJPWVUFH-WMLDXEAASA-N 2 0 298.434 2.517 20 0 CFADRP C[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000339408963 524588589 /nfs/dbraw/zinc/58/85/89/524588589.db2.gz VRWDBNARXZKKSL-AWEZNQCLSA-N 2 0 294.414 2.759 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000334839922 524600655 /nfs/dbraw/zinc/60/06/55/524600655.db2.gz DSYVMSDJCOOYKE-SMDDNHRTSA-N 2 0 252.789 2.736 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCSC1 ZINC000228558965 524620485 /nfs/dbraw/zinc/62/04/85/524620485.db2.gz UZXCTTGWCPBHOD-RDBSUJKOSA-N 2 0 256.459 2.640 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000335241840 524671702 /nfs/dbraw/zinc/67/17/02/524671702.db2.gz OOZHZMHEWUXSET-HZPDHXFCSA-N 2 0 289.423 2.690 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226344048 524707182 /nfs/dbraw/zinc/70/71/82/524707182.db2.gz DIZGUBWYIRHSQP-CQSZACIVSA-N 2 0 276.424 2.645 20 0 CFADRP Cc1cccc(OCC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341189405 524738636 /nfs/dbraw/zinc/73/86/36/524738636.db2.gz MFVGZCJLCDIHIB-UHFFFAOYSA-N 2 0 276.424 2.647 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000049156053 524763442 /nfs/dbraw/zinc/76/34/42/524763442.db2.gz RWYDVNIOMPMKPS-CHWSQXEVSA-N 2 0 266.454 2.999 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414803339 534807318 /nfs/dbraw/zinc/80/73/18/534807318.db2.gz NQRLXUOUXZZVJL-GOEBONIOSA-N 2 0 292.471 2.862 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000216057378 524780071 /nfs/dbraw/zinc/78/00/71/524780071.db2.gz HQGZBHDOZGCISW-JQWIXIFHSA-N 2 0 254.324 2.793 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000157068536 524851640 /nfs/dbraw/zinc/85/16/40/524851640.db2.gz MAVDNMOFGRGYBR-GFCCVEGCSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339413770 524859357 /nfs/dbraw/zinc/85/93/57/524859357.db2.gz ZRMTVCPUPARIJI-HOTGVXAUSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000151546252 524894452 /nfs/dbraw/zinc/89/44/52/524894452.db2.gz SOIHDKUQBCFUBS-CABCVRRESA-N 2 0 298.471 2.818 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360702330 524900572 /nfs/dbraw/zinc/90/05/72/524900572.db2.gz IVVVRHSYOZNWST-PBHICJAKSA-N 2 0 283.419 2.707 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361492441 524913982 /nfs/dbraw/zinc/91/39/82/524913982.db2.gz HYIWOBZUSCNODR-IIDMSEBBSA-N 2 0 298.434 2.691 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000340690824 524914168 /nfs/dbraw/zinc/91/41/68/524914168.db2.gz MTZXODVTAPSVMY-DOTOQJQBSA-N 2 0 258.409 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@@]1(C)C[NH3+] ZINC000313904447 524997768 /nfs/dbraw/zinc/99/77/68/524997768.db2.gz CHZWIQXKCNVLEQ-SJKOYZFVSA-N 2 0 287.382 2.791 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000168655925 525024672 /nfs/dbraw/zinc/02/46/72/525024672.db2.gz USFBSCVHPIDTGR-NEPJUHHUSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)ccc2F)CC[N@@H+]1C ZINC000157199994 525265818 /nfs/dbraw/zinc/26/58/18/525265818.db2.gz DOSYEMRGTNJMAI-RISCZKNCSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1C ZINC000156331784 525267463 /nfs/dbraw/zinc/26/74/63/525267463.db2.gz SXUXEYOHMJRQFS-CJNGLKHVSA-N 2 0 284.407 2.649 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309697610 525269240 /nfs/dbraw/zinc/26/92/40/525269240.db2.gz FMDFQFOIWYGQOG-NJAFHUGGSA-N 2 0 288.435 2.666 20 0 CFADRP CSC1(C[N@H+](C)CCC[NH+]2CCCC2)CCC1 ZINC000356316981 525307311 /nfs/dbraw/zinc/30/73/11/525307311.db2.gz JORWEKLTVUKWOK-UHFFFAOYSA-N 2 0 256.459 2.690 20 0 CFADRP CSC1(C[NH2+]CC2(C)CC[NH+](C)CC2)CCC1 ZINC000302512967 525331342 /nfs/dbraw/zinc/33/13/42/525331342.db2.gz ZGVVZSGAASYFLK-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000235145911 525335274 /nfs/dbraw/zinc/33/52/74/525335274.db2.gz KNCJWWMZZWNHMN-HZSPNIEDSA-N 2 0 268.470 2.782 20 0 CFADRP CSC1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000235104385 525338693 /nfs/dbraw/zinc/33/86/93/525338693.db2.gz KJEIDKXIVFPQPA-CHWSQXEVSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2(C)Cc3ccccc3C2)CC[NH2+]1 ZINC000334845335 525411235 /nfs/dbraw/zinc/41/12/35/525411235.db2.gz FVGQOMLJPZLYSK-ZIAGYGMSSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cncs1 ZINC000227497112 525420218 /nfs/dbraw/zinc/42/02/18/525420218.db2.gz NEPXJBFUGFAZJO-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000361889195 525421568 /nfs/dbraw/zinc/42/15/68/525421568.db2.gz OOGXYEIMGNTGFI-CYBMUJFWSA-N 2 0 288.391 2.540 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309697609 525439124 /nfs/dbraw/zinc/43/91/24/525439124.db2.gz FMDFQFOIWYGQOG-KBAYOESNSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1C[C@H](Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000155938567 525449796 /nfs/dbraw/zinc/44/97/96/525449796.db2.gz CVWLYWMVJRJUSL-GDBMZVCRSA-N 2 0 291.439 2.522 20 0 CFADRP Cc1[nH+]ccc(NC[C@@H](C)C[NH+]2CCCC2)c1Cl ZINC000336791650 525450104 /nfs/dbraw/zinc/45/01/04/525450104.db2.gz OIZNDDMHXXOOLD-LLVKDONJSA-N 2 0 267.804 2.609 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000051016711 525523187 /nfs/dbraw/zinc/52/31/87/525523187.db2.gz YLJDJBONJQNGRR-LLVKDONJSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)C1C[NH2+]C1 ZINC000335069852 525593553 /nfs/dbraw/zinc/59/35/53/525593553.db2.gz RZMYCSIXNNJPGE-BLLLJJGKSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000370633175 525616206 /nfs/dbraw/zinc/61/62/06/525616206.db2.gz GDWUSCQQFMNHTR-ZFWWWQNUSA-N 2 0 293.480 2.567 20 0 CFADRP Fc1ccc(CC2CC[NH+](C3CC[NH2+]CC3)CC2)cc1F ZINC000335060397 526327727 /nfs/dbraw/zinc/32/77/27/526327727.db2.gz ODSVHNKEUYSKNL-UHFFFAOYSA-N 2 0 294.389 2.971 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334941833 526379975 /nfs/dbraw/zinc/37/99/75/526379975.db2.gz KBBREVFCSWKOGI-SFHVURJKSA-N 2 0 297.402 2.516 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc12 ZINC000334868529 526395786 /nfs/dbraw/zinc/39/57/86/526395786.db2.gz LRCLMNSUQIQYFU-DOTOQJQBSA-N 2 0 284.407 2.527 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000193282467 526405561 /nfs/dbraw/zinc/40/55/61/526405561.db2.gz PLONGEPUVWQXML-HLVVYCRESA-N 2 0 279.453 2.770 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)cc2c1C[NH2+]C2 ZINC000335063445 526428710 /nfs/dbraw/zinc/42/87/10/526428710.db2.gz PTCHIJCKVMCJRV-QGZVFWFLSA-N 2 0 286.419 2.729 20 0 CFADRP c1cc2c(s1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000050952309 526447053 /nfs/dbraw/zinc/44/70/53/526447053.db2.gz CKXSPHYORLTPMA-UHFFFAOYSA-N 2 0 264.438 2.886 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cccnc3)C2)cc1 ZINC000076446119 526470469 /nfs/dbraw/zinc/47/04/69/526470469.db2.gz FJWUXZXSRMVXFD-SFHVURJKSA-N 2 0 281.403 2.693 20 0 CFADRP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000307564954 526471828 /nfs/dbraw/zinc/47/18/28/526471828.db2.gz DULSPMFNURPKKR-IKGGRYGDSA-N 2 0 256.393 2.603 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000313037004 526484524 /nfs/dbraw/zinc/48/45/24/526484524.db2.gz QVPUFNNPRRLHHI-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)s1 ZINC000049538754 526751751 /nfs/dbraw/zinc/75/17/51/526751751.db2.gz DEKUKOQIVLESLL-JTQLQIEISA-N 2 0 267.442 2.800 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000414845259 526879929 /nfs/dbraw/zinc/87/99/29/526879929.db2.gz FUGQKYWHFHVGFI-GFCCVEGCSA-N 2 0 281.469 2.920 20 0 CFADRP CC(C)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000423078899 527176192 /nfs/dbraw/zinc/17/61/92/527176192.db2.gz POVCUVLHVGJLIW-GVDBMIGSSA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000422909992 527176254 /nfs/dbraw/zinc/17/62/54/527176254.db2.gz HDFMGRLYTFNKLG-HZPDHXFCSA-N 2 0 260.425 2.972 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000084222325 527214283 /nfs/dbraw/zinc/21/42/83/527214283.db2.gz GEOCQCCCHOECBO-KWQFWETISA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086404389 527351466 /nfs/dbraw/zinc/35/14/66/527351466.db2.gz RRPBQSHSORWFML-NXEZZACHSA-N 2 0 289.242 2.870 20 0 CFADRP Cc1[nH+]ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1Cl ZINC000310565262 527352294 /nfs/dbraw/zinc/35/22/94/527352294.db2.gz XHDPIDWHHMGARZ-ONGXEEELSA-N 2 0 253.777 2.938 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159337324 527357715 /nfs/dbraw/zinc/35/77/15/527357715.db2.gz SPYAGBKEUXTNOR-CABCVRRESA-N 2 0 255.365 2.594 20 0 CFADRP Cc1nccn1CCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000162045977 527391274 /nfs/dbraw/zinc/39/12/74/527391274.db2.gz ALAQURDJFDYGHM-KRWDZBQOSA-N 2 0 292.471 2.778 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335023226 527395524 /nfs/dbraw/zinc/39/55/24/527395524.db2.gz PPLHKWNPHIDDSD-DOTOQJQBSA-N 2 0 269.392 2.984 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010836 527395673 /nfs/dbraw/zinc/39/56/73/527395673.db2.gz QXVIMPJZHIQJEL-HOTGVXAUSA-N 2 0 280.456 2.975 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086403348 527406894 /nfs/dbraw/zinc/40/68/94/527406894.db2.gz QFXKYMVEUUZDPG-IUCAKERBSA-N 2 0 289.242 2.870 20 0 CFADRP Cc1ncsc1CC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230026692 527487643 /nfs/dbraw/zinc/48/76/43/527487643.db2.gz ZTLIEUWGGIOROG-UHFFFAOYSA-N 2 0 289.448 2.845 20 0 CFADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423232248 527488329 /nfs/dbraw/zinc/48/83/29/527488329.db2.gz HYZOZRWOLLKFAH-BBBYJDLNSA-N 2 0 266.429 2.598 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423162407 527492347 /nfs/dbraw/zinc/49/23/47/527492347.db2.gz LDJHHNYLUQFSFQ-NNXHMXCWSA-N 2 0 262.441 2.933 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc21 ZINC000334869653 527501498 /nfs/dbraw/zinc/50/14/98/527501498.db2.gz RGWXTWQWUIIYGT-NVXWUHKLSA-N 2 0 298.434 2.537 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000335147957 527568965 /nfs/dbraw/zinc/56/89/65/527568965.db2.gz YHWAYBSXRVBQRZ-OCCSQVGLSA-N 2 0 270.380 2.806 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H](C[NH3+])C2CC2)CC1 ZINC000423265979 527647586 /nfs/dbraw/zinc/64/75/86/527647586.db2.gz BNHRWOBSGIGLQR-INIZCTEOSA-N 2 0 295.515 2.993 20 0 CFADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162952812 527662170 /nfs/dbraw/zinc/66/21/70/527662170.db2.gz KQVINAXQHYNZDC-JKSUJKDBSA-N 2 0 290.455 2.658 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000305211973 527668369 /nfs/dbraw/zinc/66/83/69/527668369.db2.gz PSPJBNSEEVLGLA-BPQIPLTHSA-N 2 0 292.467 2.700 20 0 CFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422722117 527673413 /nfs/dbraw/zinc/67/34/13/527673413.db2.gz OVKLBDNVOIWTID-KGLIPLIRSA-N 2 0 291.439 2.887 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCC1 ZINC000422871975 527695140 /nfs/dbraw/zinc/69/51/40/527695140.db2.gz FCJWDSOFTJAEDU-SOUVJXGZSA-N 2 0 268.445 2.545 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422811544 527731199 /nfs/dbraw/zinc/73/11/99/527731199.db2.gz PDMVQNZCEAYNEY-ILXRZTDVSA-N 2 0 256.434 2.558 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1(C)C ZINC000414198911 527836812 /nfs/dbraw/zinc/83/68/12/527836812.db2.gz YLKZLTOUOCKSFU-HUUCEWRRSA-N 2 0 273.380 2.628 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@H]2CCCO[C@@H]21 ZINC000423206900 527866989 /nfs/dbraw/zinc/86/69/89/527866989.db2.gz XECVOMRGOTWUKP-KFWWJZLASA-N 2 0 280.456 2.831 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@H]2CCCO[C@@H]21 ZINC000414199640 527872364 /nfs/dbraw/zinc/87/23/64/527872364.db2.gz ZEIOQTZAAGRDLY-OAGGEKHMSA-N 2 0 285.391 2.628 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@H]2CCCO[C@H]21 ZINC000414199636 527872937 /nfs/dbraw/zinc/87/29/37/527872937.db2.gz ZEIOQTZAAGRDLY-BZUAXINKSA-N 2 0 285.391 2.628 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000423100258 527874800 /nfs/dbraw/zinc/87/48/00/527874800.db2.gz UXQYOPWVKSAKIV-JJXSEGSLSA-N 2 0 296.455 2.619 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423118616 527894830 /nfs/dbraw/zinc/89/48/30/527894830.db2.gz BNKDEARKOKJZTK-LVQVYYBASA-N 2 0 274.408 2.702 20 0 CFADRP CC1(C[NH2+]Cc2ccc(F)cc2Cl)CC[NH2+]CC1 ZINC000414915174 527981075 /nfs/dbraw/zinc/98/10/75/527981075.db2.gz YVBKOJOVMXMXPV-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2Br)CC[NH2+]CC1 ZINC000414898035 527984104 /nfs/dbraw/zinc/98/41/04/527984104.db2.gz FQXLOWDBBZQJNP-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000423319174 527987020 /nfs/dbraw/zinc/98/70/20/527987020.db2.gz DAOIIJJPNGDAKF-OWCLPIDISA-N 2 0 280.456 2.561 20 0 CFADRP CC1(C[NH2+][C@H](C2CC2)C2CCCC2)CC[NH2+]CC1 ZINC000423332995 527987877 /nfs/dbraw/zinc/98/78/77/527987877.db2.gz PQHDLBAEWVQRJZ-HNNXBMFYSA-N 2 0 250.430 2.935 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423141521 527989465 /nfs/dbraw/zinc/98/94/65/527989465.db2.gz QMWDFVMUHHSRLN-SOLBZPMBSA-N 2 0 291.483 2.655 20 0 CFADRP CC[N@H+]1C[C@H](NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000423246738 527990930 /nfs/dbraw/zinc/99/09/30/527990930.db2.gz PWRLQSDXGKGBCW-QGTPRVQTSA-N 2 0 289.467 2.740 20 0 CFADRP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423178887 528047516 /nfs/dbraw/zinc/04/75/16/528047516.db2.gz LEMBNQNGLMRJIK-CYBMUJFWSA-N 2 0 292.427 2.560 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425364707 528058779 /nfs/dbraw/zinc/05/87/79/528058779.db2.gz ZQVHNJMLWOAKEF-ZIAGYGMSSA-N 2 0 258.475 2.982 20 0 CFADRP CCCC1CCC([NH2+]C[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000414948624 528077728 /nfs/dbraw/zinc/07/77/28/528077728.db2.gz XWMMBADRDUZQEG-UYSNPLJNSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422885476 528100810 /nfs/dbraw/zinc/10/08/10/528100810.db2.gz YVPWFCSJXUDRBU-IAOVAPTHSA-N 2 0 276.424 2.652 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414902063 528161243 /nfs/dbraw/zinc/16/12/43/528161243.db2.gz KDIVIXMHYLBTDI-QGZVFWFLSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422784821 528191440 /nfs/dbraw/zinc/19/14/40/528191440.db2.gz MJPPUPRYHSOVIO-GJZGRUSLSA-N 3 0 277.456 2.744 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422694762 528195891 /nfs/dbraw/zinc/19/58/91/528195891.db2.gz OMUDQOIYWLXKES-QAPCUYQASA-N 2 0 289.467 2.616 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422780712 528199409 /nfs/dbraw/zinc/19/94/09/528199409.db2.gz DFSUUPGXYDZQSG-YJBOKZPZSA-N 2 0 289.467 2.616 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422957076 528205394 /nfs/dbraw/zinc/20/53/94/528205394.db2.gz MHZJTAYVXLFWCL-GJZGRUSLSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414905936 528226945 /nfs/dbraw/zinc/22/69/45/528226945.db2.gz PGMPNGJGHNOHBH-QGZVFWFLSA-N 2 0 276.424 2.953 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422881832 528246110 /nfs/dbraw/zinc/24/61/10/528246110.db2.gz ZFSRRWLUAZKNDW-CHWSQXEVSA-N 2 0 250.386 2.609 20 0 CFADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccsc1 ZINC000422867619 528246910 /nfs/dbraw/zinc/24/69/10/528246910.db2.gz SOJSKMDDYHGVEM-ZFWWWQNUSA-N 2 0 283.485 2.848 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967692 528247296 /nfs/dbraw/zinc/24/72/96/528247296.db2.gz CGBVAXFSIRDUQB-XHSDSOJGSA-N 2 0 293.455 2.783 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422712753 528257192 /nfs/dbraw/zinc/25/71/92/528257192.db2.gz IUZPTWUSGIWZAP-ZBFHGGJFSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H](C)CCC[NH3+])cs1 ZINC000422897238 528274017 /nfs/dbraw/zinc/27/40/17/528274017.db2.gz BQESJLYUYKGRQE-LLVKDONJSA-N 2 0 255.431 2.526 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OCC(C)C ZINC000414868613 528278903 /nfs/dbraw/zinc/27/89/03/528278903.db2.gz DVLFPJSOKJFRRG-CQSZACIVSA-N 2 0 294.439 2.805 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])Cc1ccccc1 ZINC000422836299 528280872 /nfs/dbraw/zinc/28/08/72/528280872.db2.gz QWRLTSFXJFFEPK-RYRKJORJSA-N 2 0 291.483 2.655 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000420291866 528290272 /nfs/dbraw/zinc/29/02/72/528290272.db2.gz ODYHRJYWWRFFTC-UHFFFAOYSA-N 2 0 290.436 2.513 20 0 CFADRP CC(C)SCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423111660 528320263 /nfs/dbraw/zinc/32/02/63/528320263.db2.gz RAAOGAOMCQLVBY-UKRRQHHQSA-N 2 0 266.454 2.676 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+])O[C@@H](C)C2 ZINC000422790532 528341581 /nfs/dbraw/zinc/34/15/81/528341581.db2.gz UXNFHQJUFCFORA-UPJWGTAASA-N 2 0 292.423 2.624 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414792358 528351691 /nfs/dbraw/zinc/35/16/91/528351691.db2.gz CDOXPCKWIZTXPI-AAEUAGOBSA-N 2 0 267.442 2.874 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423123613 528359890 /nfs/dbraw/zinc/35/98/90/528359890.db2.gz NAZVRKCFXFOQID-KBPBESRZSA-N 2 0 292.471 2.620 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414904157 528457181 /nfs/dbraw/zinc/45/71/81/528457181.db2.gz MYJRUEQXPWSKDE-KRWDZBQOSA-N 2 0 292.423 2.573 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000415001141 528457304 /nfs/dbraw/zinc/45/73/04/528457304.db2.gz KPRYOLCZMNVWRN-JSGCOSHPSA-N 2 0 280.387 2.832 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000423103840 528458561 /nfs/dbraw/zinc/45/85/61/528458561.db2.gz LMFWUTVVTOCKGT-MNOVXSKESA-N 2 0 270.804 2.954 20 0 CFADRP CCN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422793660 528458865 /nfs/dbraw/zinc/45/88/65/528458865.db2.gz XJDUXXXHIFNXPY-SJPCQFCGSA-N 2 0 287.451 2.776 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414792702 528461137 /nfs/dbraw/zinc/46/11/37/528461137.db2.gz CRNBMXOLHDTKQE-LSDHHAIUSA-N 2 0 292.423 2.701 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422903668 528462601 /nfs/dbraw/zinc/46/26/01/528462601.db2.gz OTWHWNAANNHOJJ-XJKSGUPXSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422844260 528462639 /nfs/dbraw/zinc/46/26/39/528462639.db2.gz LISCWKQOBQSZKF-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000423103842 528464253 /nfs/dbraw/zinc/46/42/53/528464253.db2.gz LMFWUTVVTOCKGT-WDEREUQCSA-N 2 0 270.804 2.954 20 0 CFADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423304542 528474986 /nfs/dbraw/zinc/47/49/86/528474986.db2.gz YXYQZKPEVCIAGW-MNOVXSKESA-N 2 0 270.804 2.984 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423201614 528495025 /nfs/dbraw/zinc/49/50/25/528495025.db2.gz PCVDPSSMEXUYPJ-OAHLLOKOSA-N 2 0 278.444 2.549 20 0 CFADRP CCN(CC[NH2+][C@H](C)CCC[NH3+])c1ccccc1C ZINC000422878017 528514944 /nfs/dbraw/zinc/51/49/44/528514944.db2.gz IRBVBBNZJPTBNU-OAHLLOKOSA-N 2 0 263.429 2.538 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+]CCCc1c(F)cccc1Cl ZINC000414787253 528530465 /nfs/dbraw/zinc/53/04/65/528530465.db2.gz CBUXTRCORMGOEP-AWEZNQCLSA-N 2 0 272.795 2.985 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423265294 528532541 /nfs/dbraw/zinc/53/25/41/528532541.db2.gz CSXTVERZEXSPGT-NHYWBVRUSA-N 2 0 270.367 2.859 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414796131 528534114 /nfs/dbraw/zinc/53/41/14/528534114.db2.gz NQFFUVSPSHMHCA-DOMZBBRYSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414786439 528534294 /nfs/dbraw/zinc/53/42/94/528534294.db2.gz BELBDDPBRPESHX-DOMZBBRYSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000414728156 528554914 /nfs/dbraw/zinc/55/49/14/528554914.db2.gz BUGZOZSIGWLHNK-BBRMVZONSA-N 2 0 295.858 2.660 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254192 528587375 /nfs/dbraw/zinc/58/73/75/528587375.db2.gz XLSDPYAFORXLRF-SWLSCSKDSA-N 2 0 265.376 2.507 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423306055 528588500 /nfs/dbraw/zinc/58/85/00/528588500.db2.gz LCHMUFFKKODNNO-QMTHXVAHSA-N 2 0 256.340 2.846 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1OCC ZINC000423299659 528594673 /nfs/dbraw/zinc/59/46/73/528594673.db2.gz QJFUSRSVXBMAAT-QWHCGFSZSA-N 2 0 280.412 2.729 20 0 CFADRP CCOC(=O)C1([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000414697237 528602557 /nfs/dbraw/zinc/60/25/57/528602557.db2.gz BUNRFWXPHFWBOV-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705712 528604332 /nfs/dbraw/zinc/60/43/32/528604332.db2.gz XGSCGJGOYFHPLS-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423242232 528606790 /nfs/dbraw/zinc/60/67/90/528606790.db2.gz FAVNMMMBGSUZRG-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CCC(C)C)CC[NH2+]CC1 ZINC000422737272 528609901 /nfs/dbraw/zinc/60/99/01/528609901.db2.gz ZLTRPBNHYXVXAJ-LSDHHAIUSA-N 2 0 298.471 2.722 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423213784 528642384 /nfs/dbraw/zinc/64/23/84/528642384.db2.gz OBFGRXMMHDXWAW-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423321083 528650009 /nfs/dbraw/zinc/65/00/09/528650009.db2.gz GCEJWIRRHPVKNW-CABCVRRESA-N 2 0 282.472 2.950 20 0 CFADRP CCOc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414905306 528654148 /nfs/dbraw/zinc/65/41/48/528654148.db2.gz NWTNIWSPJWDBSK-UHFFFAOYSA-N 2 0 262.397 2.565 20 0 CFADRP CCCCOc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OC ZINC000414878350 528654895 /nfs/dbraw/zinc/65/48/95/528654895.db2.gz HERYBMGAEYVYIN-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP CCCc1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414786809 528662816 /nfs/dbraw/zinc/66/28/16/528662816.db2.gz UWMZRUUNIRKELC-ZIAGYGMSSA-N 2 0 293.480 2.917 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414794807 528687812 /nfs/dbraw/zinc/68/78/12/528687812.db2.gz MFMAVORPAMXTNK-LSDHHAIUSA-N 2 0 292.423 2.701 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000422996586 528786910 /nfs/dbraw/zinc/78/69/10/528786910.db2.gz TWVGJGXEJIAQBJ-HHARLNAUSA-N 2 0 280.456 2.700 20 0 CFADRP CCC(CC)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814887 528823462 /nfs/dbraw/zinc/82/34/62/528823462.db2.gz AKABWNIUGKSYGR-HYVNUMGLSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422922275 528824695 /nfs/dbraw/zinc/82/46/95/528824695.db2.gz SMBMXXAUSZJZCT-SFFUCWETSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422910797 528834449 /nfs/dbraw/zinc/83/44/49/528834449.db2.gz JIDGCVYGWNMJTR-MSOLQXFVSA-N 3 0 289.467 2.744 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422855830 528836677 /nfs/dbraw/zinc/83/66/77/528836677.db2.gz FIKOVRLCEPUTMG-CRAIPNDOSA-N 2 0 289.467 2.757 20 0 CFADRP CCCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423175652 528856047 /nfs/dbraw/zinc/85/60/47/528856047.db2.gz FHLFQFYHLWYOKM-GOSISDBHSA-N 2 0 289.467 2.803 20 0 CFADRP CCC(CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814888 528856056 /nfs/dbraw/zinc/85/60/56/528856056.db2.gz AKABWNIUGKSYGR-OIISXLGYSA-N 2 0 281.488 2.617 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423292191 528951242 /nfs/dbraw/zinc/95/12/42/528951242.db2.gz LXADENYTJSAOMG-RRFJBIMHSA-N 2 0 268.445 2.689 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414805573 528952328 /nfs/dbraw/zinc/95/23/28/528952328.db2.gz GPINHEICHPWMSC-CQSZACIVSA-N 2 0 266.816 2.914 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000414804980 528952487 /nfs/dbraw/zinc/95/24/87/528952487.db2.gz FXJOLUMBPJRXTC-CYBMUJFWSA-N 2 0 288.439 2.991 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423289352 528953180 /nfs/dbraw/zinc/95/31/80/528953180.db2.gz WYDGTJMBLNVFDT-KGLIPLIRSA-N 2 0 270.461 2.933 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423320257 528987428 /nfs/dbraw/zinc/98/74/28/528987428.db2.gz MGGBTSGDJPBYEB-SJORKVTESA-N 2 0 260.425 2.971 20 0 CFADRP CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423181962 529003422 /nfs/dbraw/zinc/00/34/22/529003422.db2.gz KALAMWJBDHNTDH-MRXNPFEDSA-N 2 0 262.397 2.878 20 0 CFADRP CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422740030 529021041 /nfs/dbraw/zinc/02/10/41/529021041.db2.gz MBJUCTCCMRAUAT-ZIAGYGMSSA-N 2 0 289.427 2.678 20 0 CFADRP CCCCc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423204865 529027210 /nfs/dbraw/zinc/02/72/10/529027210.db2.gz OUUSOKDKGRPUAZ-MRXNPFEDSA-N 2 0 289.467 2.585 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423341333 529027587 /nfs/dbraw/zinc/02/75/87/529027587.db2.gz CHAXIVACJIDUFS-SFHVURJKSA-N 2 0 288.435 2.737 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344372 529033906 /nfs/dbraw/zinc/03/39/06/529033906.db2.gz MQHMHWVDRCHTDY-KRWDZBQOSA-N 2 0 258.409 2.763 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423285692 529070164 /nfs/dbraw/zinc/07/01/64/529070164.db2.gz ZOFPZQBPMUCZLB-BRWVUGGUSA-N 2 0 290.451 2.943 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423270617 529071847 /nfs/dbraw/zinc/07/18/47/529071847.db2.gz IEWQQXWVZKGDQM-PMPSAXMXSA-N 2 0 276.424 2.805 20 0 CFADRP CC[C@@H]([NH2+]CC1(c2cccc(OC)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423121585 529158030 /nfs/dbraw/zinc/15/80/30/529158030.db2.gz JBVFYNWCCZPOFY-SJORKVTESA-N 2 0 288.435 2.847 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(OC(F)F)cc1 ZINC000423191192 529161631 /nfs/dbraw/zinc/16/16/31/529161631.db2.gz SJPHJENXGOAOSG-CYBMUJFWSA-N 2 0 272.339 2.938 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000422744590 529162270 /nfs/dbraw/zinc/16/22/70/529162270.db2.gz TXQGKTWEGIGQGD-CVEARBPZSA-N 2 0 276.424 2.884 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000423251693 529169253 /nfs/dbraw/zinc/16/92/53/529169253.db2.gz SKTJUMCTCFRVDF-IUODEOHRSA-N 2 0 250.361 2.866 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414850907 529174866 /nfs/dbraw/zinc/17/48/66/529174866.db2.gz ZUBMOEHBQXOOOP-ZDUSSCGKSA-N 2 0 264.388 2.867 20 0 CFADRP CCSCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423111758 529177918 /nfs/dbraw/zinc/17/79/18/529177918.db2.gz JDQJOEMUNQXINF-UKRRQHHQSA-N 2 0 266.454 2.678 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422755809 529178264 /nfs/dbraw/zinc/17/82/64/529178264.db2.gz HDWKKYMKZJJXDH-JQHSSLGASA-N 2 0 290.451 2.960 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422829245 529210067 /nfs/dbraw/zinc/21/00/67/529210067.db2.gz BOAZJPPNVUBHFJ-XDQVBPFNSA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@H]1CCCN(C(C)(C)C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422902864 529217001 /nfs/dbraw/zinc/21/70/01/529217001.db2.gz DUSHMVGTPUHZPL-CVEARBPZSA-N 2 0 283.504 2.994 20 0 CFADRP CCSc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414823095 529252079 /nfs/dbraw/zinc/25/20/79/529252079.db2.gz AVXNLMTZOOFZBI-CQSZACIVSA-N 2 0 264.438 2.888 20 0 CFADRP CCSc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000423125857 529252746 /nfs/dbraw/zinc/25/27/46/529252746.db2.gz IFOYZAHLJJTBLY-APHBMKBZSA-N 2 0 294.464 2.641 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422909305 529298021 /nfs/dbraw/zinc/29/80/21/529298021.db2.gz NUNKJNKLEUQRIV-ARFHVFGLSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423162940 529308853 /nfs/dbraw/zinc/30/88/53/529308853.db2.gz VAPZZFPZTLBXSH-UHDSXZAQSA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1F ZINC000422817550 529368517 /nfs/dbraw/zinc/36/85/17/529368517.db2.gz HUCCDTSWTBZDSI-QWHCGFSZSA-N 2 0 268.376 2.700 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1ccccc1Cl ZINC000422837140 529369230 /nfs/dbraw/zinc/36/92/30/529369230.db2.gz LOIDPMJLWGLRHC-MRVWCRGKSA-N 2 0 282.815 2.967 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)Oc1ccccc1Cl ZINC000422838002 529370094 /nfs/dbraw/zinc/37/00/94/529370094.db2.gz NMGOOUWVIAHYTJ-DGCLKSJQSA-N 2 0 282.815 2.695 20 0 CFADRP CC[C@](C)([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000414714782 529370962 /nfs/dbraw/zinc/37/09/62/529370962.db2.gz VRFAAHMTOUYVES-BZPMIXESSA-N 2 0 267.442 2.746 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459641864 534926610 /nfs/dbraw/zinc/92/66/10/534926610.db2.gz YPSWTVWTCDPMIX-WOVMCDHWSA-N 2 0 289.423 2.596 20 0 CFADRP CCOC(=O)c1coc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000449525871 535716797 /nfs/dbraw/zinc/71/67/97/535716797.db2.gz CHAIDVCIZQSFCA-UHFFFAOYSA-N 2 0 296.411 2.666 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435379699 535785140 /nfs/dbraw/zinc/78/51/40/535785140.db2.gz KCYLBUOMIKZPMA-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)ccc1F ZINC000447600164 535804094 /nfs/dbraw/zinc/80/40/94/535804094.db2.gz ZPGNYGDCNLQVGU-OAHLLOKOSA-N 2 0 286.366 2.584 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445806722 536370509 /nfs/dbraw/zinc/37/05/09/536370509.db2.gz YWEGAAKYIVTUNZ-HZPDHXFCSA-N 2 0 259.397 2.607 20 0 CFADRP COc1cc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000459782671 536575117 /nfs/dbraw/zinc/57/51/17/536575117.db2.gz MTVSASZUBFJPKT-HNNXBMFYSA-N 2 0 291.439 2.529 20 0 CFADRP Cc1ccccc1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000727931415 574074114 /nfs/dbraw/zinc/07/41/14/574074114.db2.gz KUMURYQWYVKXIX-UHFFFAOYSA-N 2 0 276.424 2.647 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000756116708 574210772 /nfs/dbraw/zinc/21/07/72/574210772.db2.gz NVNFCAOOSNNJMP-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2C)C1 ZINC000747960702 574222372 /nfs/dbraw/zinc/22/23/72/574222372.db2.gz HUNHMFBJWRJDSG-WMZOPIPTSA-N 2 0 290.451 2.692 20 0 CFADRP CCCCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000749115654 574280833 /nfs/dbraw/zinc/28/08/33/574280833.db2.gz JTOSKXRZTIYBFG-LSDHHAIUSA-N 2 0 284.444 2.524 20 0 CFADRP COc1ccc(OC)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000396450803 574355311 /nfs/dbraw/zinc/35/53/11/574355311.db2.gz ITRMNYDZGGZWKD-CYBMUJFWSA-N 2 0 292.423 2.524 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)CC1 ZINC000895939715 619640332 /nfs/dbraw/zinc/64/03/32/619640332.db2.gz ZSRXUJMPRMNYTB-LBPRGKRZSA-N 2 0 264.335 2.603 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000051693523 618049266 /nfs/dbraw/zinc/04/92/66/618049266.db2.gz OXSINOLRCOXTMI-UHFFFAOYSA-N 2 0 283.213 2.809 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000035015410 617608477 /nfs/dbraw/zinc/60/84/77/617608477.db2.gz OVFHTZGJOHLHPO-KZNAEPCWSA-N 2 0 293.499 2.572 20 0 CFADRP CC[NH+](CC)Cc1ccc(CNc2nc(N)cc(C)[nH+]2)cc1 ZINC000891600654 617681235 /nfs/dbraw/zinc/68/12/35/617681235.db2.gz VHIDLSKNIMYGOR-UHFFFAOYSA-N 2 0 299.422 2.821 20 0 CFADRP C[C@H]1c2ccccc2OCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891748139 617737839 /nfs/dbraw/zinc/73/78/39/617737839.db2.gz OCRJALFYXQSUTN-AWEZNQCLSA-N 2 0 274.408 2.784 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000891778298 617747862 /nfs/dbraw/zinc/74/78/62/617747862.db2.gz MJPSYZZVRVUSDI-UHFFFAOYSA-N 2 0 287.451 2.541 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc(C[NH+](C)C)c1 ZINC000926230030 617749682 /nfs/dbraw/zinc/74/96/82/617749682.db2.gz XTQMOGDSUDSKGY-ZVZYQTTQSA-N 2 0 290.451 2.950 20 0 CFADRP CC[N@H+](CCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000891862536 617790511 /nfs/dbraw/zinc/79/05/11/617790511.db2.gz OUHGRGYMDXQPCR-UHFFFAOYSA-N 2 0 252.324 2.603 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1(CC)CC ZINC000262016421 617902734 /nfs/dbraw/zinc/90/27/34/617902734.db2.gz MSHGVBLCRDPJTO-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000892022493 617915900 /nfs/dbraw/zinc/91/59/00/617915900.db2.gz ZKPUWMIJEAVADA-SFHVURJKSA-N 2 0 288.435 2.576 20 0 CFADRP C1C(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1[NH+]1CCCCC1 ZINC000926337409 617918414 /nfs/dbraw/zinc/91/84/14/617918414.db2.gz OJACMMVDRRVVLO-HIEASXQVSA-N 2 0 291.483 2.610 20 0 CFADRP C1C(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1[NH+]1CCCCC1 ZINC000926337412 617918636 /nfs/dbraw/zinc/91/86/36/617918636.db2.gz OJACMMVDRRVVLO-OPQOLIRYSA-N 2 0 291.483 2.610 20 0 CFADRP CSCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000892034721 617919430 /nfs/dbraw/zinc/91/94/30/617919430.db2.gz SURZVTHMQMCMCC-INIZCTEOSA-N 2 0 278.465 2.933 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)n1 ZINC000892056020 617930227 /nfs/dbraw/zinc/93/02/27/617930227.db2.gz YKKAVGOTUVFVPJ-KRWDZBQOSA-N 2 0 273.424 2.869 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892097034 617946954 /nfs/dbraw/zinc/94/69/54/617946954.db2.gz SFKKFXWTHLKZQQ-MRXNPFEDSA-N 2 0 288.435 2.826 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O)c(F)c2)C[C@@H]1C ZINC000892102140 617949597 /nfs/dbraw/zinc/94/95/97/617949597.db2.gz CMSLWXJQFUOOCV-JSGCOSHPSA-N 2 0 280.387 2.836 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2nccc3c2CCCC3)CC[N@@H+]1C ZINC000892106053 617954936 /nfs/dbraw/zinc/95/49/36/617954936.db2.gz SMROCOXOPCZMHJ-ZBFHGGJFSA-N 2 0 287.451 2.875 20 0 CFADRP CC(C)CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000892154584 617975926 /nfs/dbraw/zinc/97/59/26/617975926.db2.gz ZWCBSVSYLRMQBJ-MSOLQXFVSA-N 2 0 295.515 2.771 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cnn(C4CCC4)c3)CC[C@H]21 ZINC000892225474 618013676 /nfs/dbraw/zinc/01/36/76/618013676.db2.gz BXRBLYFIWJRCDL-NVXWUHKLSA-N 2 0 288.439 2.524 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC[C@H]2CCCCO2)CC1 ZINC000129500526 618040653 /nfs/dbraw/zinc/04/06/53/618040653.db2.gz JZJRTADBKRIXLV-MRXNPFEDSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1c(F)cccc1F ZINC000051692984 618048209 /nfs/dbraw/zinc/04/82/09/618048209.db2.gz VKEXRPVLRHATNN-WHXUTIOJSA-N 2 0 254.324 2.885 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCCCCC[NH3+])C1 ZINC000846219850 618098433 /nfs/dbraw/zinc/09/84/33/618098433.db2.gz ADOSSLJTUZIWRH-GDBMZVCRSA-N 2 0 270.461 2.672 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000050269351 618105519 /nfs/dbraw/zinc/10/55/19/618105519.db2.gz WTYQQRUKIDZMAC-CQSZACIVSA-N 2 0 252.402 2.532 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000926115651 618116539 /nfs/dbraw/zinc/11/65/39/618116539.db2.gz WLELUPKKRFOCCS-JKSUJKDBSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cnn(C2CCC2)c1 ZINC000926450872 618128385 /nfs/dbraw/zinc/12/83/85/618128385.db2.gz SRVHHCPJRFYTMR-AAEUAGOBSA-N 2 0 285.395 2.539 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926460277 618136457 /nfs/dbraw/zinc/13/64/57/618136457.db2.gz XTTTXLPKOCZTEC-OWCLPIDISA-N 2 0 270.461 2.758 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934840390 618146067 /nfs/dbraw/zinc/14/60/67/618146067.db2.gz CAXXBURWTLEBIZ-OKZBNKHCSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000090720290 618171759 /nfs/dbraw/zinc/17/17/59/618171759.db2.gz OOBHPSWBKSBKQH-CZUORRHYSA-N 2 0 288.435 2.972 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000926143372 618173280 /nfs/dbraw/zinc/17/32/80/618173280.db2.gz RAAOLFAJKDVSFS-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000926559281 618207974 /nfs/dbraw/zinc/20/79/74/618207974.db2.gz MLSKSQAACFKACP-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000250714006 618210050 /nfs/dbraw/zinc/21/00/50/618210050.db2.gz SLJRGAYGRQGPIR-BRWVUGGUSA-N 2 0 293.499 2.760 20 0 CFADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000252909745 618214336 /nfs/dbraw/zinc/21/43/36/618214336.db2.gz AXZAAUWIZXTRRS-XDQVBPFNSA-N 2 0 256.459 2.638 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000925572282 618253077 /nfs/dbraw/zinc/25/30/77/618253077.db2.gz LQUOQASDUKFKDH-ROYPNMTOSA-N 2 0 270.420 2.723 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925572802 618253636 /nfs/dbraw/zinc/25/36/36/618253636.db2.gz JXIWASJLHXRTDU-ROUUACIJSA-N 2 0 287.451 2.690 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(C)c1 ZINC000925584555 618269706 /nfs/dbraw/zinc/26/97/06/618269706.db2.gz PVEDXOMLMAYAQY-IXDOHACOSA-N 2 0 288.435 2.870 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000925585851 618271681 /nfs/dbraw/zinc/27/16/81/618271681.db2.gz AMZRPESRAGDCMV-IAGOWNOFSA-N 2 0 289.467 2.970 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ncccc2Cl)C1 ZINC000925587251 618273188 /nfs/dbraw/zinc/27/31/88/618273188.db2.gz HMUGMXJOTXQHGH-NWDGAFQWSA-N 2 0 297.830 2.609 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262110998 618273455 /nfs/dbraw/zinc/27/34/55/618273455.db2.gz WLAWKYKAABDLEQ-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924530040 618273654 /nfs/dbraw/zinc/27/36/54/618273654.db2.gz YWECLHSMVOZVOD-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CSc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)o1 ZINC000894016311 618275062 /nfs/dbraw/zinc/27/50/62/618275062.db2.gz ASPPEUPDIRPXEL-UHFFFAOYSA-N 2 0 298.452 2.544 20 0 CFADRP CC[C@H](COC)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925106587 618283210 /nfs/dbraw/zinc/28/32/10/618283210.db2.gz OOSKIYNXEMRMGH-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000925606182 618294387 /nfs/dbraw/zinc/29/43/87/618294387.db2.gz LZVOFBLBNJKYRK-USXIJHARSA-N 2 0 275.440 2.539 20 0 CFADRP CCCC(O)(CCC)CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925611073 618308549 /nfs/dbraw/zinc/30/85/49/618308549.db2.gz KFWGOBWMBSPIBE-HOCLYGCPSA-N 2 0 278.440 2.996 20 0 CFADRP C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925612070 618311504 /nfs/dbraw/zinc/31/15/04/618311504.db2.gz HXEYFNDDORJACO-KBAYOESNSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H]1CSC[C@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113138 618313600 /nfs/dbraw/zinc/31/36/00/618313600.db2.gz UARCYEXATUTHKC-KBUPBQIOSA-N 2 0 291.464 2.909 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(CCC[C@H]2CCO2)c2ccccn2)CC1 ZINC000895113426 618314439 /nfs/dbraw/zinc/31/44/39/618314439.db2.gz WEBJAYPJFYGGOA-JYJNAYRXSA-N 2 0 289.423 2.727 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000235444077 618316169 /nfs/dbraw/zinc/31/61/69/618316169.db2.gz KSZOFWMDKYNBPP-UBJLHIIHSA-N 2 0 250.308 2.542 20 0 CFADRP Cc1ccccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000067453025 618323537 /nfs/dbraw/zinc/32/35/37/618323537.db2.gz MAFWKGKOMGJFDR-IAGOWNOFSA-N 2 0 290.451 2.974 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925617101 618325221 /nfs/dbraw/zinc/32/52/21/618325221.db2.gz USYISZCIKITYFU-QWHCGFSZSA-N 2 0 279.453 2.799 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCNc1ccccn1)c1ccccc1 ZINC000925620775 618336290 /nfs/dbraw/zinc/33/62/90/618336290.db2.gz BCCKBZWIVHTAII-INIZCTEOSA-N 2 0 284.407 2.563 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893321388 618341030 /nfs/dbraw/zinc/34/10/30/618341030.db2.gz BSLUOYCHXCTSGL-AWEZNQCLSA-N 2 0 292.471 2.898 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925622916 618341333 /nfs/dbraw/zinc/34/13/33/618341333.db2.gz QPGZKCRYKRDXNL-JKSUJKDBSA-N 2 0 288.435 2.832 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn2ccnc2s1 ZINC000893322089 618342780 /nfs/dbraw/zinc/34/27/80/618342780.db2.gz MULDCILWTSRMFX-CYBMUJFWSA-N 2 0 294.468 2.996 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000925624353 618344930 /nfs/dbraw/zinc/34/49/30/618344930.db2.gz WDUYGNJUMHWQMU-JKSUJKDBSA-N 2 0 288.391 2.691 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925624502 618345523 /nfs/dbraw/zinc/34/55/23/618345523.db2.gz YOHFEESUFGPABR-ILXRZTDVSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2cccs2)C12CCC2 ZINC000925628576 618355887 /nfs/dbraw/zinc/35/58/87/618355887.db2.gz DNSJEXXARKDRCU-CHWSQXEVSA-N 2 0 250.411 2.540 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925629550 618358325 /nfs/dbraw/zinc/35/83/25/618358325.db2.gz ODTUUYVEBYJXJS-HRCADAONSA-N 2 0 280.456 2.844 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925632311 618362805 /nfs/dbraw/zinc/36/28/05/618362805.db2.gz WQADNXDYOGHXEM-ZIAGYGMSSA-N 2 0 280.387 2.830 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](Cc1ccccc1)Cc1cccnc1 ZINC000924538108 618363537 /nfs/dbraw/zinc/36/35/37/618363537.db2.gz FJIOEFFJMBXQEZ-LJQANCHMSA-N 2 0 297.446 2.777 20 0 CFADRP C[C@H]1CCC[C@@](CNC(=[NH2+])NC2CCCCC2)([NH+](C)C)C1 ZINC000052047921 618370804 /nfs/dbraw/zinc/37/08/04/618370804.db2.gz MCPYXUUAMIVSOH-WMLDXEAASA-N 2 0 294.487 2.944 20 0 CFADRP C[C@](O)(CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925646775 618393346 /nfs/dbraw/zinc/39/33/46/618393346.db2.gz WCEPDVZKFAGRBX-NUJGCVRESA-N 2 0 290.451 2.780 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nccs1 ZINC000925647440 618394641 /nfs/dbraw/zinc/39/46/41/618394641.db2.gz CAVSIPXXCCYPLN-NDBYEHHHSA-N 2 0 279.453 2.613 20 0 CFADRP CCOC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925650865 618401285 /nfs/dbraw/zinc/40/12/85/618401285.db2.gz ZPDRSFLZUGSJCY-RDBSUJKOSA-N 2 0 256.434 2.543 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000042437358 620802522 /nfs/dbraw/zinc/80/25/22/620802522.db2.gz DEWNVFKAMBIMPG-CYBMUJFWSA-N 2 0 252.789 2.771 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261775921 618426587 /nfs/dbraw/zinc/42/65/87/618426587.db2.gz DZYZYMVXQFDYIC-CZUORRHYSA-N 2 0 274.408 2.645 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2COCC2(C)C)CC1 ZINC000894181017 618430864 /nfs/dbraw/zinc/43/08/64/618430864.db2.gz NOYZJIHYUOVNTC-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192834422 618440895 /nfs/dbraw/zinc/44/08/95/618440895.db2.gz RXBNUEGSWMWPHV-ALOPSCKCSA-N 2 0 288.435 2.979 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC1CCOCC1 ZINC000925679168 618458659 /nfs/dbraw/zinc/45/86/59/618458659.db2.gz HVSVHYNAMWZSPR-ROUUACIJSA-N 2 0 294.483 2.951 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925683372 618468198 /nfs/dbraw/zinc/46/81/98/618468198.db2.gz PKXQRJKFOVFEEJ-WCVJEAGWSA-N 2 0 282.472 2.933 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000066245827 618472576 /nfs/dbraw/zinc/47/25/76/618472576.db2.gz RTZZUUWRBSXYMS-OAHLLOKOSA-N 2 0 280.460 2.698 20 0 CFADRP CO[C@@H]1C[C@H](N[C@@H](c2ccccc2)[C@@H](C)[NH3+])C12CCC2 ZINC000925686168 618478526 /nfs/dbraw/zinc/47/85/26/618478526.db2.gz QKQKCMYEBMCTBP-SLBVQIDZSA-N 2 0 274.408 2.622 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOCC2CCCC2)C[C@@H]([NH3+])C1 ZINC000925685713 618479755 /nfs/dbraw/zinc/47/97/55/618479755.db2.gz OOGNNXYTDFOHLN-CABCVRRESA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000895297459 618518904 /nfs/dbraw/zinc/51/89/04/618518904.db2.gz WPIURXYCGCDSJG-NFOMZHRRSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1ccoc1 ZINC000895378807 618558043 /nfs/dbraw/zinc/55/80/43/618558043.db2.gz SRQQXVJEMSERDZ-HIFRSBDPSA-N 2 0 250.386 2.832 20 0 CFADRP CCCn1nccc1CN1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895381767 618559632 /nfs/dbraw/zinc/55/96/32/618559632.db2.gz WKJSDMZSEBVHDD-NVXWUHKLSA-N 2 0 292.471 2.845 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926734787 618617927 /nfs/dbraw/zinc/61/79/27/618617927.db2.gz ARFNLANLSIXAFH-XQQFMLRXSA-N 2 0 258.356 2.638 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000926755110 618639910 /nfs/dbraw/zinc/63/99/10/618639910.db2.gz ULNWYGWYBUVPGZ-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CCn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c(C)n1 ZINC000892583976 618642750 /nfs/dbraw/zinc/64/27/50/618642750.db2.gz FXLDWFZMHKKKIL-OAHLLOKOSA-N 2 0 292.471 2.813 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2nccn2C2CC2)CC1 ZINC000892589366 618644279 /nfs/dbraw/zinc/64/42/79/618644279.db2.gz QCIUXDLOTZBZNH-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000070188822 625280514 /nfs/dbraw/zinc/28/05/14/625280514.db2.gz GVRIJHDXNRLOAJ-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP OCCC[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924579596 618659003 /nfs/dbraw/zinc/65/90/03/618659003.db2.gz YSGWJWMBODPNCI-IAGOWNOFSA-N 2 0 282.472 2.783 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000924580035 618660795 /nfs/dbraw/zinc/66/07/95/618660795.db2.gz OVMPOCLYAWJXNM-VQFNDLOPSA-N 2 0 290.451 2.769 20 0 CFADRP C1=CC[C@@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC000311858266 618726435 /nfs/dbraw/zinc/72/64/35/618726435.db2.gz JZAJAURFUOYZMF-OQVBHOJDSA-N 2 0 260.425 2.805 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892741516 618737121 /nfs/dbraw/zinc/73/71/21/618737121.db2.gz QYTJITDNAUXBGC-UHFFFAOYSA-N 2 0 281.347 2.593 20 0 CFADRP Cc1ccc(OCCC[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000892778063 618745411 /nfs/dbraw/zinc/74/54/11/618745411.db2.gz APEUVJSAPQNRKJ-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CCCCC(C)C)CC1 ZINC000892800731 618749154 /nfs/dbraw/zinc/74/91/54/618749154.db2.gz JDLBDCCIMUOZNX-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1[nH]c2ccccc2c1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000892810745 618750225 /nfs/dbraw/zinc/75/02/25/618750225.db2.gz HEEBGCSHHKVITK-UHFFFAOYSA-N 2 0 285.435 2.950 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924609001 618766607 /nfs/dbraw/zinc/76/66/07/618766607.db2.gz IYORNRXUMOJBJS-KBMXLJTQSA-N 2 0 262.397 2.817 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cn3ccnc3s2)CC1 ZINC000892936958 618773855 /nfs/dbraw/zinc/77/38/55/618773855.db2.gz NELCBVKGEDAQBS-UHFFFAOYSA-N 2 0 292.452 2.607 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000893069994 618819630 /nfs/dbraw/zinc/81/96/30/618819630.db2.gz UXWRJKJNAYCUKZ-UHFFFAOYSA-N 2 0 280.387 2.743 20 0 CFADRP CC[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000893096120 618829311 /nfs/dbraw/zinc/82/93/11/618829311.db2.gz CKHKKUNYJJAVID-INIZCTEOSA-N 2 0 294.414 2.915 20 0 CFADRP CC(C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000893102128 618832674 /nfs/dbraw/zinc/83/26/74/618832674.db2.gz LGFMKBNWNGTDAC-KRWDZBQOSA-N 2 0 275.440 2.753 20 0 CFADRP CC(C)CCCC[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000893107081 618834642 /nfs/dbraw/zinc/83/46/42/618834642.db2.gz VXPSPEZDRPDAPL-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)C2 ZINC000925510345 618847061 /nfs/dbraw/zinc/84/70/61/618847061.db2.gz VAWWHBKHHXOTRG-IRXDYDNUSA-N 2 0 270.420 2.808 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925516225 618855096 /nfs/dbraw/zinc/85/50/96/618855096.db2.gz WIGZGNTUVWGMCU-KBMXLJTQSA-N 2 0 274.408 2.622 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930555383 618862833 /nfs/dbraw/zinc/86/28/33/618862833.db2.gz MUYIYMTYINZLMP-CVEARBPZSA-N 2 0 278.440 2.506 20 0 CFADRP CC(=O)OC[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000893187113 618872388 /nfs/dbraw/zinc/87/23/88/618872388.db2.gz LHMYFCZLHJGNBM-ODIFPOPNSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(Cc3ccccc3)CC2)CC1 ZINC000893195086 618876184 /nfs/dbraw/zinc/87/61/84/618876184.db2.gz RNUGQKWBJPGRNL-UHFFFAOYSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1csc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925535839 618888718 /nfs/dbraw/zinc/88/87/18/618888718.db2.gz AHPHBDRNVFBTQH-GJZGRUSLSA-N 2 0 293.480 2.752 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000925536505 618889759 /nfs/dbraw/zinc/88/97/59/618889759.db2.gz FFYGPIOVIDVMQK-CRAIPNDOSA-N 2 0 287.451 2.541 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccccc1 ZINC000925539638 618897701 /nfs/dbraw/zinc/89/77/01/618897701.db2.gz CIZKUCZVQZATFF-CABCVRRESA-N 2 0 296.505 2.905 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925540121 618898568 /nfs/dbraw/zinc/89/85/68/618898568.db2.gz AIKVVVTWIOXYPB-GPANFISMSA-N 3 0 279.472 2.514 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925540479 618899018 /nfs/dbraw/zinc/89/90/18/618899018.db2.gz GXWUDDCDLMSXTA-KGLIPLIRSA-N 2 0 279.428 2.720 20 0 CFADRP CC(C)CSCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000893244930 618902351 /nfs/dbraw/zinc/90/23/51/618902351.db2.gz DABBKEOCCIYQDZ-UHFFFAOYSA-N 2 0 258.475 2.697 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925544123 618903908 /nfs/dbraw/zinc/90/39/08/618903908.db2.gz YNOWLGJJPNKQHQ-BPLDGKMQSA-N 2 0 261.413 2.508 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925550654 618911702 /nfs/dbraw/zinc/91/17/02/618911702.db2.gz MWXXDUBQKYVOHR-BPQIPLTHSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCS1 ZINC000925550482 618911786 /nfs/dbraw/zinc/91/17/86/618911786.db2.gz AAPDTAWYSPEKJI-YRGRVCCFSA-N 2 0 256.459 2.768 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925555853 618920020 /nfs/dbraw/zinc/92/00/20/618920020.db2.gz HXEKLNWYFOPYKB-QGZVFWFLSA-N 2 0 287.407 2.904 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000925689773 618932408 /nfs/dbraw/zinc/93/24/08/618932408.db2.gz ILTJSWJSBYOBBY-OIISXLGYSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CS1 ZINC000925692739 618938281 /nfs/dbraw/zinc/93/82/81/618938281.db2.gz AVKSZEXVYAISJQ-BPLDGKMQSA-N 2 0 264.438 2.950 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931316843 618941610 /nfs/dbraw/zinc/94/16/10/618941610.db2.gz KVCBGZCEAODHOP-YUELXQCFSA-N 2 0 274.399 2.941 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925696240 618947994 /nfs/dbraw/zinc/94/79/94/618947994.db2.gz YMTCWJBBVQBZDX-IAOVAPTHSA-N 2 0 275.440 2.540 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925700547 618953132 /nfs/dbraw/zinc/95/31/32/618953132.db2.gz UGAUCZXWAJCMFL-IEAZIUSSSA-N 3 0 287.451 2.573 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C[C@@H]([NH3+])C1 ZINC000925701661 618955052 /nfs/dbraw/zinc/95/50/52/618955052.db2.gz CXOPCFOMWSEBFF-QLFBSQMISA-N 2 0 273.424 2.519 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CC23CCSCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925703382 618957429 /nfs/dbraw/zinc/95/74/29/618957429.db2.gz DNCJEXQBWHKAKU-KBXIAJHMSA-N 2 0 294.508 2.886 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c(F)c1 ZINC000925703848 618957440 /nfs/dbraw/zinc/95/74/40/618957440.db2.gz VQARPIYSDHGXAO-CWRNSKLLSA-N 2 0 292.398 2.579 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc(C)n1 ZINC000925704922 618959100 /nfs/dbraw/zinc/95/91/00/618959100.db2.gz INHFPMQGMLLOPW-ZWKOTPCHSA-N 2 0 287.451 2.956 20 0 CFADRP Cc1ccccc1C1([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925706351 618960860 /nfs/dbraw/zinc/96/08/60/618960860.db2.gz NPBJXMZOTJVAHO-GJZGRUSLSA-N 2 0 256.393 2.844 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925706804 618960965 /nfs/dbraw/zinc/96/09/65/618960965.db2.gz OBAGADLKGKDTRV-QRJUGERDSA-N 2 0 262.441 2.789 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc(C)n1 ZINC000925706627 618961327 /nfs/dbraw/zinc/96/13/27/618961327.db2.gz NVJZEJDLGNVTHW-LSDHHAIUSA-N 2 0 261.413 2.694 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925710251 618964283 /nfs/dbraw/zinc/96/42/83/618964283.db2.gz WEBDXSIBNQMYQN-ZWKOTPCHSA-N 2 0 287.451 2.690 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1C ZINC000925711176 618965234 /nfs/dbraw/zinc/96/52/34/618965234.db2.gz MAORWTOYVGDJML-HOTGVXAUSA-N 2 0 258.409 2.705 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253855 618967283 /nfs/dbraw/zinc/96/72/83/618967283.db2.gz TZBXVNYQPVJWNH-HBNTYKKESA-N 2 0 265.228 2.820 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925713856 618968018 /nfs/dbraw/zinc/96/80/18/618968018.db2.gz VHCWNMNUCIUCLV-ZJIFWQFVSA-N 2 0 256.393 2.710 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313027731 618972269 /nfs/dbraw/zinc/97/22/69/618972269.db2.gz GPQLXSWRRFSVGL-SJORKVTESA-N 2 0 288.435 2.523 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000925720719 618977757 /nfs/dbraw/zinc/97/77/57/618977757.db2.gz HVGZKBAUWTWUNT-ZSXBZVGBSA-N 2 0 262.441 2.918 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)C12CCC2 ZINC000925722404 618985097 /nfs/dbraw/zinc/98/50/97/618985097.db2.gz HTNXAOBQIBNKGT-ZVDSWSACSA-N 2 0 288.822 2.838 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257662125 618987959 /nfs/dbraw/zinc/98/79/59/618987959.db2.gz CAHADXUXRUUHGF-GHMZBOCLSA-N 2 0 254.324 2.697 20 0 CFADRP [NH3+]CCOCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000093232454 618993859 /nfs/dbraw/zinc/99/38/59/618993859.db2.gz DUZDDMLOWKMMLX-UHFFFAOYSA-N 2 0 284.403 2.664 20 0 CFADRP COCCCC1(C[NH2+]CC2(C)CC[NH+](C)CC2)CCC1 ZINC000893469121 619010012 /nfs/dbraw/zinc/01/00/12/619010012.db2.gz VSDGORXNDDAYOV-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP CCCSC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000893472014 619011082 /nfs/dbraw/zinc/01/10/82/619011082.db2.gz XNBHGHZPRBVMOT-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893489561 619016430 /nfs/dbraw/zinc/01/64/30/619016430.db2.gz ZCUDRDZCFBVZTN-DOTOQJQBSA-N 3 0 293.499 2.571 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccc(F)c(F)c2F)CC1 ZINC000893519932 619033431 /nfs/dbraw/zinc/03/34/31/619033431.db2.gz PBQUMYLSFJPIBM-UHFFFAOYSA-N 2 0 286.341 2.578 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925734137 619043912 /nfs/dbraw/zinc/04/39/12/619043912.db2.gz NUYGIINYCIRSIK-HCEZTOJASA-N 3 0 281.488 2.745 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCSCCC(F)(F)F)C12CCC2 ZINC000925734140 619043914 /nfs/dbraw/zinc/04/39/14/619043914.db2.gz NWDRPQMLYRUMGY-UWVGGRQHSA-N 2 0 282.375 2.532 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000925736136 619045493 /nfs/dbraw/zinc/04/54/93/619045493.db2.gz ZKOYILPZGKGJLK-JONQDZQNSA-N 2 0 280.456 2.545 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000925736133 619045685 /nfs/dbraw/zinc/04/56/85/619045685.db2.gz ZKOYILPZGKGJLK-JJXSEGSLSA-N 2 0 280.456 2.545 20 0 CFADRP C[C@H]1[C@@H]([NH2+]CCC(C)(C)[NH3+])CCCN1Cc1ccccc1 ZINC000925736783 619046066 /nfs/dbraw/zinc/04/60/66/619046066.db2.gz CEFIXGKDLURLTR-RDJZCZTQSA-N 2 0 289.467 2.757 20 0 CFADRP COC/C(C)=C\C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000931561795 619048171 /nfs/dbraw/zinc/04/81/71/619048171.db2.gz MHBDNTKXJXXDPC-SOFYXZRVSA-N 2 0 282.472 2.879 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C12CCCCC2 ZINC000925741768 619051464 /nfs/dbraw/zinc/05/14/64/619051464.db2.gz MSZKCBQBMCLZAH-KBPBESRZSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000893572524 619076109 /nfs/dbraw/zinc/07/61/09/619076109.db2.gz RPXIPPJURBZQOQ-RHSMWYFYSA-N 2 0 273.424 2.806 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000893597825 619084757 /nfs/dbraw/zinc/08/47/57/619084757.db2.gz OJVCVQFZTJGIMF-LLVKDONJSA-N 2 0 252.324 2.649 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775233 619093827 /nfs/dbraw/zinc/09/38/27/619093827.db2.gz PCMKXNXMOLNIFX-BHYGNILZSA-N 2 0 290.451 2.740 20 0 CFADRP CSCC1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925776177 619097449 /nfs/dbraw/zinc/09/74/49/619097449.db2.gz JNGFYNVPOMYZNU-OTTFEQOBSA-N 2 0 292.439 2.743 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000925782776 619105625 /nfs/dbraw/zinc/10/56/25/619105625.db2.gz MQIWWJDZQWATFS-HUUCEWRRSA-N 2 0 280.362 2.972 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925786622 619111346 /nfs/dbraw/zinc/11/13/46/619111346.db2.gz XGCKFBDJURTEIB-WDEREUQCSA-N 2 0 274.380 2.952 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925788729 619113175 /nfs/dbraw/zinc/11/31/75/619113175.db2.gz BTZFBEVMTJTMQR-HOSILWTGSA-N 2 0 276.424 2.632 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925798484 619120214 /nfs/dbraw/zinc/12/02/14/619120214.db2.gz KXQSDPZSUZIQPB-DDUZABMNSA-N 2 0 288.435 2.908 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802892 619123122 /nfs/dbraw/zinc/12/31/22/619123122.db2.gz SOXNTLQDGPAERR-GMZPSASASA-N 2 0 262.441 2.918 20 0 CFADRP c1ccc(C2(CC[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000925804315 619124530 /nfs/dbraw/zinc/12/45/30/619124530.db2.gz GREVIDCEXINAMO-MRXNPFEDSA-N 2 0 258.409 2.840 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925810361 619129084 /nfs/dbraw/zinc/12/90/84/619129084.db2.gz ZKRHGBJYARFOIE-ZDUSSCGKSA-N 2 0 264.417 2.620 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc21 ZINC000925811738 619130211 /nfs/dbraw/zinc/13/02/11/619130211.db2.gz JSROBBLFRPKRNP-KGLIPLIRSA-N 2 0 286.423 2.569 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2sccc21 ZINC000925816083 619134994 /nfs/dbraw/zinc/13/49/94/619134994.db2.gz DNCPDOHGKCDGCT-IUODEOHRSA-N 2 0 293.480 2.699 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccs1 ZINC000925816191 619135418 /nfs/dbraw/zinc/13/54/18/619135418.db2.gz WJKUKLUIOHYLGA-OAHLLOKOSA-N 2 0 295.496 2.848 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925822950 619144029 /nfs/dbraw/zinc/14/40/29/619144029.db2.gz MNBJWSRGELYRTK-ULYCIKHUSA-N 2 0 262.441 2.789 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925824947 619146720 /nfs/dbraw/zinc/14/67/20/619146720.db2.gz XECAMGCYNLCKPK-JCCCHCCOSA-N 3 0 291.483 2.643 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1C ZINC000925826735 619155437 /nfs/dbraw/zinc/15/54/37/619155437.db2.gz IUEFDBNMUPPCFP-OCCSQVGLSA-N 2 0 268.376 2.539 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830912 619162248 /nfs/dbraw/zinc/16/22/48/619162248.db2.gz GPMONUQZGMKGEU-DEQVHRJGSA-N 2 0 286.341 2.733 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cnc3ccccc3c2)C12CCC2 ZINC000925832926 619163870 /nfs/dbraw/zinc/16/38/70/619163870.db2.gz OYKUASINFTUWBH-SJORKVTESA-N 2 0 281.403 2.637 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cnc3ccccc3c2)C12CCC2 ZINC000925832920 619164115 /nfs/dbraw/zinc/16/41/15/619164115.db2.gz OYKUASINFTUWBH-DLBZAZTESA-N 2 0 281.403 2.637 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925834870 619166383 /nfs/dbraw/zinc/16/63/83/619166383.db2.gz PBVRVNZYXWGQMK-HOCLYGCPSA-N 2 0 298.430 2.979 20 0 CFADRP c1ccc2ncc(CC[NH2+][C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000925835541 619167144 /nfs/dbraw/zinc/16/71/44/619167144.db2.gz RBPNQLNBUJJPDJ-MRXNPFEDSA-N 2 0 269.392 2.509 20 0 CFADRP CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccncc1 ZINC000925837851 619169364 /nfs/dbraw/zinc/16/93/64/619169364.db2.gz IKMRHIMYVZIYSW-ARFHVFGLSA-N 2 0 259.397 2.655 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000261565607 619171990 /nfs/dbraw/zinc/17/19/90/619171990.db2.gz HUBZZSNWAXTOEY-LSDHHAIUSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842013 619175175 /nfs/dbraw/zinc/17/51/75/619175175.db2.gz WIMONWRWXLOXGG-VDHUWJSZSA-N 2 0 288.435 2.884 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842664 619175788 /nfs/dbraw/zinc/17/57/88/619175788.db2.gz BOXOVRSKWHGMMY-DLBZAZTESA-N 2 0 281.488 2.620 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925843842 619176716 /nfs/dbraw/zinc/17/67/16/619176716.db2.gz UCQBVWXORSIZAB-KBRIMQKVSA-N 2 0 274.408 2.878 20 0 CFADRP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000925848965 619182238 /nfs/dbraw/zinc/18/22/38/619182238.db2.gz MCPIIHNGGCVQRD-SFHVURJKSA-N 2 0 289.467 2.803 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925861700 619187573 /nfs/dbraw/zinc/18/75/73/619187573.db2.gz RWXGHYHHZLSSCM-QWHCGFSZSA-N 2 0 256.459 2.912 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000925876298 619196448 /nfs/dbraw/zinc/19/64/48/619196448.db2.gz SRVKNZAKRRVGOI-WOPDTQHZSA-N 2 0 279.453 2.800 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879324 619199966 /nfs/dbraw/zinc/19/99/66/619199966.db2.gz BNBYRIAFCJKUBE-SCRDCRAPSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925880312 619200235 /nfs/dbraw/zinc/20/02/35/619200235.db2.gz JBTTXBHFDLAIGP-JLSDUUJJSA-N 2 0 288.435 2.668 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000925881108 619201513 /nfs/dbraw/zinc/20/15/13/619201513.db2.gz XOIPPOCSYKXCII-WTTBNOFXSA-N 2 0 288.435 2.950 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000925882139 619202192 /nfs/dbraw/zinc/20/21/92/619202192.db2.gz XNWRCIKZMBKMKU-ZVZYQTTQSA-N 2 0 288.435 2.668 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925887701 619204714 /nfs/dbraw/zinc/20/47/14/619204714.db2.gz KJYFDKRLMIYTSA-XBVQOTNRSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+]CCOC1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000925895221 619208980 /nfs/dbraw/zinc/20/89/80/619208980.db2.gz WLNIIISXYFOBPQ-AWEZNQCLSA-N 2 0 276.424 2.968 20 0 CFADRP COC1CCC(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000894231947 619272958 /nfs/dbraw/zinc/27/29/58/619272958.db2.gz AJAJQAWDIKBPNQ-UHFFFAOYSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000924960403 619303559 /nfs/dbraw/zinc/30/35/59/619303559.db2.gz QLZJBPULPPMKKK-KZNAEPCWSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@]1(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC[NH2+]C1 ZINC000261894715 619308650 /nfs/dbraw/zinc/30/86/50/619308650.db2.gz UPTFOJXQWNYNPX-GOSISDBHSA-N 2 0 298.434 2.742 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925008145 619329771 /nfs/dbraw/zinc/32/97/71/619329771.db2.gz BYVKLLTVMODWAX-HUUCEWRRSA-N 2 0 290.451 2.906 20 0 CFADRP C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925036352 619351565 /nfs/dbraw/zinc/35/15/65/619351565.db2.gz BYPZCTCXJNGXPC-GUYCJALGSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]C1 ZINC000262006777 619367126 /nfs/dbraw/zinc/36/71/26/619367126.db2.gz LVXPJYIXTGTWCA-AAEUAGOBSA-N 2 0 278.362 2.896 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000894455917 619390666 /nfs/dbraw/zinc/39/06/66/619390666.db2.gz NXBXRGUVHADDKD-KRWDZBQOSA-N 2 0 295.515 2.817 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C[C@H]1OC ZINC000894455470 619390842 /nfs/dbraw/zinc/39/08/42/619390842.db2.gz KTFONOBRKULFQJ-BZUAXINKSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000894476321 619396069 /nfs/dbraw/zinc/39/60/69/619396069.db2.gz POSMIDALBLCMDF-UHFFFAOYSA-N 2 0 277.343 2.558 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cnn(CC2CCC2)c1 ZINC000894480730 619397286 /nfs/dbraw/zinc/39/72/86/619397286.db2.gz JEASZTFOBUDQLU-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CCc2ccc(F)c(F)c2)C1 ZINC000894496346 619403381 /nfs/dbraw/zinc/40/33/81/619403381.db2.gz PBLBUQUQCCBCQC-PBHICJAKSA-N 2 0 294.389 2.923 20 0 CFADRP COc1cccc(C2(C[NH2+]CC3CC[NH+](C)CC3)CC2)c1 ZINC000894531693 619411544 /nfs/dbraw/zinc/41/15/44/619411544.db2.gz LYWJSVKNIGFFBT-UHFFFAOYSA-N 2 0 288.435 2.658 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000262043339 619413037 /nfs/dbraw/zinc/41/30/37/619413037.db2.gz PLXWBEKLVMMVRC-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1OCCc2sccc21 ZINC000894591418 619423235 /nfs/dbraw/zinc/42/32/35/619423235.db2.gz DWGUHQWYUWPXLI-MLGOLLRUSA-N 2 0 294.464 2.682 20 0 CFADRP CC(C)[C@@H]1[N@H+](CC2CC[NH+](C)CC2)CC12CCC2 ZINC000894583938 619424308 /nfs/dbraw/zinc/42/43/08/619424308.db2.gz DGGTZYQZOYJKGD-HNNXBMFYSA-N 2 0 250.430 2.839 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4c3OCC4)C2)C1 ZINC000894621990 619431262 /nfs/dbraw/zinc/43/12/62/619431262.db2.gz DWBUGKJQZRIIQB-GOSISDBHSA-N 2 0 286.419 2.539 20 0 CFADRP Cc1cc(F)ncc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000894626530 619432419 /nfs/dbraw/zinc/43/24/19/619432419.db2.gz WCLUUHPKHXDHHI-UHFFFAOYSA-N 2 0 279.403 2.885 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000894715617 619447991 /nfs/dbraw/zinc/44/79/91/619447991.db2.gz YKTLHLRFHJQART-LLVKDONJSA-N 2 0 265.228 2.502 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000894750293 619456909 /nfs/dbraw/zinc/45/69/09/619456909.db2.gz BHKGOYYEPUMDIW-HUUCEWRRSA-N 2 0 294.464 2.900 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(Cl)cn1 ZINC000894782821 619465806 /nfs/dbraw/zinc/46/58/06/619465806.db2.gz NFZKMRTZUVTHMA-RISCZKNCSA-N 2 0 267.804 2.507 20 0 CFADRP CSc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000894783798 619466345 /nfs/dbraw/zinc/46/63/45/619466345.db2.gz XUXXVGDBYQCRDE-GXTWGEPZSA-N 2 0 280.437 2.918 20 0 CFADRP COC1CCC(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000894861589 619487912 /nfs/dbraw/zinc/48/79/12/619487912.db2.gz WBGXEWPMKRSJRF-PCKAHOCUSA-N 2 0 268.445 2.513 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925095277 619501714 /nfs/dbraw/zinc/50/17/14/619501714.db2.gz SVFHKUYRWUEMDG-OAHLLOKOSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000793002639 619504238 /nfs/dbraw/zinc/50/42/38/619504238.db2.gz ZPWSZDOTEAAJTD-ZGRYLRDCSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000894977243 619520538 /nfs/dbraw/zinc/52/05/38/619520538.db2.gz IXXBDLSHDRYPRQ-YWPUVAFDSA-N 2 0 289.261 2.622 20 0 CFADRP COC1CCC(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000895587204 619561418 /nfs/dbraw/zinc/56/14/18/619561418.db2.gz LBOJRBMCPKQKGT-PCKAHOCUSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CC[C@H](NC[C@]1(C)CCCS1)c1cccnc1 ZINC000896724995 619795089 /nfs/dbraw/zinc/79/50/89/619795089.db2.gz YEVRGKKWUHWCIZ-HOTGVXAUSA-N 2 0 293.480 2.950 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)CO ZINC000925209712 620024536 /nfs/dbraw/zinc/02/45/36/620024536.db2.gz YJCWLKOFYCOFMP-CQSZACIVSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)C2CCOCC2)CC1 ZINC000897449894 620173643 /nfs/dbraw/zinc/17/36/43/620173643.db2.gz DXAKAXNMGKNBJD-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@](O)(CCC(F)(F)F)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897518320 620201800 /nfs/dbraw/zinc/20/18/00/620201800.db2.gz FZWJZYGPAJNXPV-XQQFMLRXSA-N 2 0 296.377 2.542 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@](O)(CC)CCC(F)(F)F)CC1 ZINC000897524077 620204153 /nfs/dbraw/zinc/20/41/53/620204153.db2.gz QNMWSTXWAHTURC-ZDUSSCGKSA-N 2 0 296.377 2.544 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897536775 620222612 /nfs/dbraw/zinc/22/26/12/620222612.db2.gz TUSWWHPUIJDEOF-HOCLYGCPSA-N 2 0 282.472 2.780 20 0 CFADRP CCC([NH3+])(CC)CNCc1cnc(Cl)c(C)c1 ZINC000841030394 620257180 /nfs/dbraw/zinc/25/71/80/620257180.db2.gz HFTXCFYOGHXNEE-UHFFFAOYSA-N 2 0 255.793 2.651 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621561 620260410 /nfs/dbraw/zinc/26/04/10/620260410.db2.gz IIMZTJWTLWSWOQ-BPQIPLTHSA-N 2 0 272.436 2.749 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCSC(C)(C)C2)CCN1C ZINC000897794395 620285931 /nfs/dbraw/zinc/28/59/31/620285931.db2.gz UPNWODGXYMVMTR-UPJWGTAASA-N 2 0 256.459 2.733 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)n(-c2cc[nH+]cc2)n1 ZINC000897959837 620312638 /nfs/dbraw/zinc/31/26/38/620312638.db2.gz WVIMOFRMQOUJMP-VBNZEHGJSA-N 2 0 268.364 2.546 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000897981645 620317824 /nfs/dbraw/zinc/31/78/24/620317824.db2.gz PJBTYVUNXMJZTC-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)CC1(C)C ZINC000898047142 620320690 /nfs/dbraw/zinc/32/06/90/620320690.db2.gz SDNSIWGBGYRLEK-KBPBESRZSA-N 2 0 268.445 2.797 20 0 CFADRP COC1(C[NH2+]CC2CC[NH+](C)CC2)CCCCCC1 ZINC000898259785 620359385 /nfs/dbraw/zinc/35/93/85/620359385.db2.gz RORGPFYOBLLUSD-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898322928 620366126 /nfs/dbraw/zinc/36/61/26/620366126.db2.gz UVHJFEGDJOAQBX-QGZVFWFLSA-N 2 0 273.424 2.997 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298529 620367453 /nfs/dbraw/zinc/36/74/53/620367453.db2.gz OALNBSZFHXQZJH-UHFFFAOYSA-N 2 0 298.390 2.527 20 0 CFADRP CC[C@H]1C[C@H](C[N@H+](C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000898307409 620370018 /nfs/dbraw/zinc/37/00/18/620370018.db2.gz BKVFRWRWNOQJSV-CABCVRRESA-N 2 0 270.461 2.711 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322847261 620393172 /nfs/dbraw/zinc/39/31/72/620393172.db2.gz NNEFWASXDVWJGB-FCLXEUQJSA-N 2 0 276.399 2.972 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841047949 620419488 /nfs/dbraw/zinc/41/94/88/620419488.db2.gz FEYFMOUYZVQFCK-VIFPVBQESA-N 2 0 260.353 2.686 20 0 CFADRP C[C@@H]1CCCCN1CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924675218 620438346 /nfs/dbraw/zinc/43/83/46/620438346.db2.gz MLKAPFGXDUBYKV-HYVNUMGLSA-N 2 0 280.456 2.656 20 0 CFADRP COCCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924682597 620439812 /nfs/dbraw/zinc/43/98/12/620439812.db2.gz BZNYVUJEXCOXIB-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000924689381 620441530 /nfs/dbraw/zinc/44/15/30/620441530.db2.gz XAWCUCDOFUMEFS-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036778 620444617 /nfs/dbraw/zinc/44/46/17/620444617.db2.gz JTTSQNUTEOCPFJ-HPUBIQBYSA-N 2 0 288.439 2.843 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000927038322 620445255 /nfs/dbraw/zinc/44/52/55/620445255.db2.gz PMNPVNFERFEJSW-ISXOHVOVSA-N 2 0 288.439 2.715 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccc(C)c32)C1 ZINC000924707287 620447861 /nfs/dbraw/zinc/44/78/61/620447861.db2.gz TYXFBWMQLRRUEX-ZBFHGGJFSA-N 2 0 258.409 2.914 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924708654 620448319 /nfs/dbraw/zinc/44/83/19/620448319.db2.gz YUUGUQQCDYJACH-WBVHZDCISA-N 3 0 289.467 2.741 20 0 CFADRP C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000924721336 620453641 /nfs/dbraw/zinc/45/36/41/620453641.db2.gz NQTPHRLLJUBFOS-MAUKXSAKSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924751996 620529642 /nfs/dbraw/zinc/52/96/42/620529642.db2.gz MBJFBZCZWRFRQG-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)c(C[NH+](C)C)c1 ZINC000899325619 620545638 /nfs/dbraw/zinc/54/56/38/620545638.db2.gz XTNQOVSPMGVWTG-KRWDZBQOSA-N 2 0 296.414 2.850 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924754781 620547836 /nfs/dbraw/zinc/54/78/36/620547836.db2.gz VAOPGOAQFJOSNB-QGZVFWFLSA-N 2 0 295.515 2.818 20 0 CFADRP CCNc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902079268 620969435 /nfs/dbraw/zinc/96/94/35/620969435.db2.gz RKHSUNACKXUTIG-HZPDHXFCSA-N 2 0 273.424 2.835 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2NC)C1 ZINC000902093767 620977464 /nfs/dbraw/zinc/97/74/64/620977464.db2.gz YMVNSAAWTFYZBM-CQSZACIVSA-N 2 0 261.413 2.550 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC000902318733 621023179 /nfs/dbraw/zinc/02/31/79/621023179.db2.gz ZRHGABPFYSLKNB-LBPRGKRZSA-N 2 0 282.378 2.875 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000902301930 621027013 /nfs/dbraw/zinc/02/70/13/621027013.db2.gz NAGAYUFDUOMVFP-HOTGVXAUSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346965 621034359 /nfs/dbraw/zinc/03/43/59/621034359.db2.gz NOHZYESELYBBDF-DJIMGWMZSA-N 2 0 290.451 2.866 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000902327127 621037293 /nfs/dbraw/zinc/03/72/93/621037293.db2.gz DUXSPIXYZSXFEW-KGLIPLIRSA-N 2 0 295.496 2.719 20 0 CFADRP CCSCC[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333230 621039704 /nfs/dbraw/zinc/03/97/04/621039704.db2.gz IQBPBYOMSUHMCQ-CHWSQXEVSA-N 2 0 258.475 2.886 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCOc2ccc(F)cc2)C1 ZINC000902334978 621040194 /nfs/dbraw/zinc/04/01/94/621040194.db2.gz UYZBYRKHQQNRIL-OAHLLOKOSA-N 2 0 294.414 2.962 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902368651 621043416 /nfs/dbraw/zinc/04/34/16/621043416.db2.gz HFQGUEGXPKKULI-OWCLPIDISA-N 2 0 282.472 2.948 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375832 621046440 /nfs/dbraw/zinc/04/64/40/621046440.db2.gz YNVORLHHGAKLBQ-CABCVRRESA-N 2 0 294.439 2.595 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902375226 621046518 /nfs/dbraw/zinc/04/65/18/621046518.db2.gz UJXFKWANBZQKLL-YPMHNXCESA-N 2 0 281.469 2.923 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361814 621052783 /nfs/dbraw/zinc/05/27/83/621052783.db2.gz SYVSZPCSWFQJSJ-RDBSUJKOSA-N 2 0 296.480 2.928 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362528 621053592 /nfs/dbraw/zinc/05/35/92/621053592.db2.gz XZJIYAORBIACLD-ZBFHGGJFSA-N 2 0 270.461 2.541 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902364730 621054542 /nfs/dbraw/zinc/05/45/42/621054542.db2.gz USGKGUASESYZGW-HOTGVXAUSA-N 2 0 283.504 2.721 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)C1 ZINC000902405926 621055007 /nfs/dbraw/zinc/05/50/07/621055007.db2.gz LZYNFYHZWIEZRR-HUUCEWRRSA-N 2 0 280.456 2.561 20 0 CFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000902407810 621056226 /nfs/dbraw/zinc/05/62/26/621056226.db2.gz VFKGAJBISUVNCF-KSZLIROESA-N 2 0 299.462 2.511 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000902383845 621059753 /nfs/dbraw/zinc/05/97/53/621059753.db2.gz GAKNBRJJVCHOQU-QKPAOTATSA-N 2 0 282.472 2.948 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384766 621060463 /nfs/dbraw/zinc/06/04/63/621060463.db2.gz ORVXGHRXLMSIRT-AWEZNQCLSA-N 2 0 270.461 2.807 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1(O)CCCC1 ZINC000902387895 621061333 /nfs/dbraw/zinc/06/13/33/621061333.db2.gz MQWCJVGTNQECHT-CQSZACIVSA-N 2 0 282.472 2.686 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000902389180 621061439 /nfs/dbraw/zinc/06/14/39/621061439.db2.gz VPGOTWKMGDMVRH-VXGBXAGGSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000902389487 621062227 /nfs/dbraw/zinc/06/22/27/621062227.db2.gz USMUWLKIWJCJEO-HOTGVXAUSA-N 2 0 288.435 2.666 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902395624 621064800 /nfs/dbraw/zinc/06/48/00/621064800.db2.gz CYKLFHBRUSTHBA-CVEARBPZSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000902396222 621064845 /nfs/dbraw/zinc/06/48/45/621064845.db2.gz JEOKSNURBLTURY-UONOGXRCSA-N 2 0 250.430 2.935 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902395625 621064883 /nfs/dbraw/zinc/06/48/83/621064883.db2.gz CYKLFHBRUSTHBA-HOTGVXAUSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000902398457 621066208 /nfs/dbraw/zinc/06/62/08/621066208.db2.gz PRJUXWQUBFBYDK-GJZGRUSLSA-N 2 0 288.435 2.666 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1C ZINC000902402400 621068014 /nfs/dbraw/zinc/06/80/14/621068014.db2.gz CWUZBTZJPVXRTO-JHJVBQTASA-N 2 0 250.386 2.780 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000902429337 621076044 /nfs/dbraw/zinc/07/60/44/621076044.db2.gz FCCNONQTMTYBMG-SOUVJXGZSA-N 2 0 250.430 2.933 20 0 CFADRP CC1(C)CC[C@@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902428737 621076087 /nfs/dbraw/zinc/07/60/87/621076087.db2.gz HIZLQYGFBIPCGU-CABCVRRESA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)CC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)OC1 ZINC000902431173 621077314 /nfs/dbraw/zinc/07/73/14/621077314.db2.gz SAZZAJVZCNGZLA-LSDHHAIUSA-N 2 0 280.456 2.846 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000902432222 621077859 /nfs/dbraw/zinc/07/78/59/621077859.db2.gz WAAOQVAPPLLFBY-MRVWCRGKSA-N 2 0 294.826 2.826 20 0 CFADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000902442478 621081601 /nfs/dbraw/zinc/08/16/01/621081601.db2.gz IMYOTGMVGLIOBO-AXFHLTTASA-N 2 0 264.335 2.695 20 0 CFADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000902442481 621081726 /nfs/dbraw/zinc/08/17/26/621081726.db2.gz IMYOTGMVGLIOBO-VWYCJHECSA-N 2 0 264.335 2.695 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902446022 621083841 /nfs/dbraw/zinc/08/38/41/621083841.db2.gz NUSKXFGHVDBTLD-ZLMOABSSSA-N 2 0 254.443 2.663 20 0 CFADRP C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902475997 621086935 /nfs/dbraw/zinc/08/69/35/621086935.db2.gz LITPDGPWRPYTKP-YCVVXREPSA-N 2 0 299.462 2.522 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453588 621093249 /nfs/dbraw/zinc/09/32/49/621093249.db2.gz CDOSHTCEVYJBGL-GFCCVEGCSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)[C@H]1CCCC[NH2+]1 ZINC000902450347 621091271 /nfs/dbraw/zinc/09/12/71/621091271.db2.gz CYKRXQRNRSEHHV-FRRDWIJNSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000902450351 621091649 /nfs/dbraw/zinc/09/16/49/621091649.db2.gz CYKRXQRNRSEHHV-UPJWGTAASA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902455189 621093648 /nfs/dbraw/zinc/09/36/48/621093648.db2.gz WAZZUFNHYDJICR-PRULPYPASA-N 2 0 268.351 2.926 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902455118 621093806 /nfs/dbraw/zinc/09/38/06/621093806.db2.gz IZZRGPXADMMYQN-UBHSHLNASA-N 2 0 290.398 2.544 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902456607 621094163 /nfs/dbraw/zinc/09/41/63/621094163.db2.gz OYVTVTQADDAIFO-UPJWGTAASA-N 2 0 260.372 2.790 20 0 CFADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471355 621101657 /nfs/dbraw/zinc/10/16/57/621101657.db2.gz NTZBOFLVDXQZIL-CWQOZTLDSA-N 2 0 270.420 2.880 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1OC(F)F ZINC000902490567 621102244 /nfs/dbraw/zinc/10/22/44/621102244.db2.gz XHFTXMYFAMIOIP-GMTAPVOTSA-N 2 0 270.323 2.676 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902513595 621109171 /nfs/dbraw/zinc/10/91/71/621109171.db2.gz MHRVIMMSIWNUFU-OWCLPIDISA-N 2 0 298.434 2.653 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483517 621110269 /nfs/dbraw/zinc/11/02/69/621110269.db2.gz RCFBEBVMLDZUME-WDEREUQCSA-N 2 0 252.324 2.839 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902484731 621110692 /nfs/dbraw/zinc/11/06/92/621110692.db2.gz HAIAOYQOQOLFIA-MIGQKNRLSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2ccccc2n1 ZINC000902486389 621111946 /nfs/dbraw/zinc/11/19/46/621111946.db2.gz GKLRNUATWPDAFX-OBJOEFQTSA-N 2 0 255.365 2.623 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487233 621112045 /nfs/dbraw/zinc/11/20/45/621112045.db2.gz SBFZEOVHTCKTNR-OBJOEFQTSA-N 2 0 264.438 2.666 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000902486735 621112155 /nfs/dbraw/zinc/11/21/55/621112155.db2.gz RQLWFUDDDUTGQY-SDADXPQNSA-N 2 0 274.408 2.559 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902487382 621112559 /nfs/dbraw/zinc/11/25/59/621112559.db2.gz UGZAPVAKJFZERC-JONQDZQNSA-N 2 0 273.424 2.743 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000902487791 621112742 /nfs/dbraw/zinc/11/27/42/621112742.db2.gz MIUYNVJRDMUAFA-DDWPSWQVSA-N 2 0 262.372 2.789 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000902489400 621112958 /nfs/dbraw/zinc/11/29/58/621112958.db2.gz QBMNZIPUNURGIV-KWBADKCTSA-N 2 0 266.385 2.690 20 0 CFADRP Cc1nc2ccccn2c1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902515209 621114994 /nfs/dbraw/zinc/11/49/94/621114994.db2.gz UPSNTKOTVGDWBF-HZPDHXFCSA-N 2 0 292.386 2.877 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518939 621115597 /nfs/dbraw/zinc/11/55/97/621115597.db2.gz UWNUNWQGFGLDJA-CVEARBPZSA-N 2 0 280.387 2.844 20 0 CFADRP CNc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000902530105 621118826 /nfs/dbraw/zinc/11/88/26/621118826.db2.gz JQIVKLHKRFTJHU-UHFFFAOYSA-N 2 0 273.424 2.692 20 0 CFADRP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CCn1ccnc1 ZINC000902724949 621158260 /nfs/dbraw/zinc/15/82/60/621158260.db2.gz MPTDBLOUFIZOKM-GUYCJALGSA-N 2 0 285.391 2.805 20 0 CFADRP CCN1CCC([NH2+][C@@H](CC(C)C)C2CCOCC2)CC1 ZINC000902725881 621158722 /nfs/dbraw/zinc/15/87/22/621158722.db2.gz HJXWGBWOMPODEY-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1COc2ccccc2C1 ZINC000902780253 621172243 /nfs/dbraw/zinc/17/22/43/621172243.db2.gz GADUVHMZMJARKY-GOEBONIOSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000902796314 621179321 /nfs/dbraw/zinc/17/93/21/621179321.db2.gz LRCBXLLTHRUDIU-CVEARBPZSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000902796317 621179458 /nfs/dbraw/zinc/17/94/58/621179458.db2.gz LRCBXLLTHRUDIU-JKSUJKDBSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1)C[C@H](C)O ZINC000902815588 621185295 /nfs/dbraw/zinc/18/52/95/621185295.db2.gz VIEZQXPLYOQWBY-QLFBSQMISA-N 2 0 287.407 2.930 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000902975280 621221437 /nfs/dbraw/zinc/22/14/37/621221437.db2.gz DZVXEEUCBSKWTM-RDJZCZTQSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000903017990 621222392 /nfs/dbraw/zinc/22/23/92/621222392.db2.gz VBHISQWXGWIROR-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C[NH+](C)C ZINC000902999156 621224673 /nfs/dbraw/zinc/22/46/73/621224673.db2.gz KYONTORUCPUDOM-OIISXLGYSA-N 2 0 282.472 2.759 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000903057305 621235946 /nfs/dbraw/zinc/23/59/46/621235946.db2.gz BIHLTULTKUMXFG-ROUUACIJSA-N 2 0 288.435 2.940 20 0 CFADRP c1coc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903057105 621235951 /nfs/dbraw/zinc/23/59/51/621235951.db2.gz BMWYJKNFDJHBBI-LQDVMPOASA-N 2 0 260.381 2.570 20 0 CFADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)o1 ZINC000903067691 621239220 /nfs/dbraw/zinc/23/92/20/621239220.db2.gz VQCZVMKKTBBYMV-VHRNVKJDSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCOC12CCCC2)C[NH+]1CCCCC1 ZINC000903075494 621243020 /nfs/dbraw/zinc/24/30/20/621243020.db2.gz XAFYHQBOAGAIBC-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000903090948 621248850 /nfs/dbraw/zinc/24/88/50/621248850.db2.gz JWNRTAUKFWZIGG-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000903068844 621249272 /nfs/dbraw/zinc/24/92/72/621249272.db2.gz NXGIIONHRHMVIX-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903071502 621250341 /nfs/dbraw/zinc/25/03/41/621250341.db2.gz CUUSOHPQKZYOLD-GOEBONIOSA-N 2 0 290.455 2.676 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103919 621253889 /nfs/dbraw/zinc/25/38/89/621253889.db2.gz BMFGNCTYGCXZMC-AEIJQKHESA-N 2 0 280.456 2.531 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903105811 621255144 /nfs/dbraw/zinc/25/51/44/621255144.db2.gz DZAPXAUCPQDZDC-AYQZXGCCSA-N 2 0 291.483 2.607 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000903107035 621256084 /nfs/dbraw/zinc/25/60/84/621256084.db2.gz KRSAGUQDRQTREA-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCOC12CCCC2)C1CC1 ZINC000903183162 621277171 /nfs/dbraw/zinc/27/71/71/621277171.db2.gz LDHIMDXWFWLIGP-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)SCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903169522 621279508 /nfs/dbraw/zinc/27/95/08/621279508.db2.gz BVMCRXBANHNXJD-LQDVMPOASA-N 2 0 268.470 2.875 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000903194077 621281051 /nfs/dbraw/zinc/28/10/51/621281051.db2.gz YYEGLLRIYWTUMQ-PBHICJAKSA-N 2 0 283.419 2.850 20 0 CFADRP C[C@H]1SCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195146 621281348 /nfs/dbraw/zinc/28/13/48/621281348.db2.gz VLQMUNLXASSDBI-INZXHGTPSA-N 2 0 266.454 2.628 20 0 CFADRP CC(C)(C)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903200049 621283282 /nfs/dbraw/zinc/28/32/82/621283282.db2.gz LDHUHBDYRISCKP-VHRNVKJDSA-N 2 0 280.456 2.939 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCC1 ZINC000903204442 621285538 /nfs/dbraw/zinc/28/55/38/621285538.db2.gz UUYQDVPFCOKFEN-NXCDMZCRSA-N 2 0 292.467 2.939 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000903245348 621296582 /nfs/dbraw/zinc/29/65/82/621296582.db2.gz LFRYRARTXVRODQ-CQSZACIVSA-N 2 0 282.472 2.759 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000903228573 621296967 /nfs/dbraw/zinc/29/69/67/621296967.db2.gz VPUBQEAYCBPVCH-PWUWZPNHSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC000903230822 621297316 /nfs/dbraw/zinc/29/73/16/621297316.db2.gz FPGOYDXOBKENQK-CYBMUJFWSA-N 2 0 299.418 2.760 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cnccn1 ZINC000903255222 621300845 /nfs/dbraw/zinc/30/08/45/621300845.db2.gz ZCQXMTIJTNBWFT-UQPPLGOBSA-N 2 0 288.439 2.924 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC12CCCCC2)C1CC[NH+](C)CC1 ZINC000903275150 621310730 /nfs/dbraw/zinc/31/07/30/621310730.db2.gz WZLNNQBSHRECON-HOCLYGCPSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc(C[NH+](C)C)c1 ZINC000903286796 621318494 /nfs/dbraw/zinc/31/84/94/621318494.db2.gz OAORFHZPPJIFTH-XTENKEOPSA-N 2 0 286.419 2.575 20 0 CFADRP CCCCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000903312933 621328621 /nfs/dbraw/zinc/32/86/21/621328621.db2.gz DBUIJCBZJNYECD-MQVJKMGUSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903334795 621332177 /nfs/dbraw/zinc/33/21/77/621332177.db2.gz GNTUKDGTCBJUJD-VMBOVVBDSA-N 2 0 273.424 2.995 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000903353972 621345220 /nfs/dbraw/zinc/34/52/20/621345220.db2.gz QBXDFNUMVBPVLR-KFWWJZLASA-N 2 0 298.471 2.674 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000903354723 621345999 /nfs/dbraw/zinc/34/59/99/621345999.db2.gz XILJAOFOSVEDDM-ZIAGYGMSSA-N 2 0 298.471 2.674 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCC12CC2)c1cccnc1 ZINC000903379834 621355420 /nfs/dbraw/zinc/35/54/20/621355420.db2.gz ZFIUWFAVPDLCPF-CVEARBPZSA-N 2 0 273.424 2.997 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382542 621356527 /nfs/dbraw/zinc/35/65/27/621356527.db2.gz GFZXCYIXMZUZHE-FVQBIDKESA-N 2 0 261.413 2.853 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903408221 621363330 /nfs/dbraw/zinc/36/33/30/621363330.db2.gz RHCHNRITXLDQNJ-DYVFJYSZSA-N 2 0 276.424 2.560 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000903430579 621371947 /nfs/dbraw/zinc/37/19/47/621371947.db2.gz WVSFRGTYOXOBLT-WMLDXEAASA-N 2 0 258.409 2.993 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430649 621372246 /nfs/dbraw/zinc/37/22/46/621372246.db2.gz ZQEDNBYZKXREDX-ZOWXZIJZSA-N 2 0 250.361 2.946 20 0 CFADRP CC[N@H+](CCc1cccs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431523 621372567 /nfs/dbraw/zinc/37/25/67/621372567.db2.gz XYVYILIBRVWHGA-OLZOCXBDSA-N 2 0 252.427 2.740 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903433071 621372889 /nfs/dbraw/zinc/37/28/89/621372889.db2.gz STHHVWDNXARLKC-IXDOHACOSA-N 2 0 288.435 2.830 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434507 621372932 /nfs/dbraw/zinc/37/29/32/621372932.db2.gz GUCXFLIRUMDMBT-YCPHGPKFSA-N 2 0 274.408 2.960 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000903439716 621376560 /nfs/dbraw/zinc/37/65/60/621376560.db2.gz MOFLBFJFCYJMDR-OAGGEKHMSA-N 2 0 290.476 2.956 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000903439717 621376778 /nfs/dbraw/zinc/37/67/78/621376778.db2.gz MOFLBFJFCYJMDR-PMPSAXMXSA-N 2 0 290.476 2.956 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000903440193 621377176 /nfs/dbraw/zinc/37/71/76/621377176.db2.gz VWXFOUDJOGVKKG-LYYZXLFJSA-N 2 0 280.456 2.639 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440463 621377240 /nfs/dbraw/zinc/37/72/40/621377240.db2.gz YYSZUPYAAKGABV-PVAVHDDUSA-N 2 0 260.425 2.795 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000903422927 621379232 /nfs/dbraw/zinc/37/92/32/621379232.db2.gz RZYFTVFJNUXCIQ-BZUAXINKSA-N 2 0 298.434 2.605 20 0 CFADRP C[N@H+](Cc1ccc2cc[nH]c2c1)C1CCC([NH3+])CC1 ZINC000903424989 621379752 /nfs/dbraw/zinc/37/97/52/621379752.db2.gz OCWKEQBFTWOYKV-UHFFFAOYSA-N 2 0 257.381 2.870 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCCC(C)(F)F)CC[NH2+]CC2 ZINC000903459440 621380285 /nfs/dbraw/zinc/38/02/85/621380285.db2.gz KOZCKMYKVYADEW-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000903459320 621380787 /nfs/dbraw/zinc/38/07/87/621380787.db2.gz SVBBHEASQAXWIJ-LZWOXQAQSA-N 2 0 284.407 2.650 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000903442085 621382830 /nfs/dbraw/zinc/38/28/30/621382830.db2.gz JBDQECSTJNSCKV-ZWKOTPCHSA-N 3 0 293.499 2.702 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000903444942 621383927 /nfs/dbraw/zinc/38/39/27/621383927.db2.gz FUOAOIODACDPHY-LESCRADOSA-N 2 0 281.403 2.888 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC000903447311 621384854 /nfs/dbraw/zinc/38/48/54/621384854.db2.gz OCPMNWOQKNZISE-ARFHVFGLSA-N 2 0 269.392 2.727 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C[C@@H]21 ZINC000903453970 621387370 /nfs/dbraw/zinc/38/73/70/621387370.db2.gz QNMJJPHOZSGJQY-REBRKWNGSA-N 2 0 284.394 2.742 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)C1 ZINC000903481472 621391930 /nfs/dbraw/zinc/39/19/30/621391930.db2.gz CWNWPIRHHKHAMZ-USXIJHARSA-N 2 0 285.435 2.598 20 0 CFADRP C(CCC1CCOCC1)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483690 621393302 /nfs/dbraw/zinc/39/33/02/621393302.db2.gz KAZWWVNULUUQAV-INIZCTEOSA-N 2 0 280.456 2.848 20 0 CFADRP Cn1ccc([C@@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000903563696 621396688 /nfs/dbraw/zinc/39/66/88/621396688.db2.gz JHFORGLGHXWQMI-OAHLLOKOSA-N 2 0 278.444 2.509 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717878 621424810 /nfs/dbraw/zinc/42/48/10/621424810.db2.gz FGRFXVAXCBSXTE-OKZBNKHCSA-N 2 0 286.419 2.592 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903717728 621425050 /nfs/dbraw/zinc/42/50/50/621425050.db2.gz UUHVHHMGPXFKFL-UPJWGTAASA-N 2 0 296.377 2.792 20 0 CFADRP CCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718430 621425500 /nfs/dbraw/zinc/42/55/00/621425500.db2.gz MHTIFLOCDPTDFX-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP CCCC[NH+](CCCC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718037 621425568 /nfs/dbraw/zinc/42/55/68/621425568.db2.gz YKORKPSLJWLWPP-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CC1CCC([N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903718425 621425669 /nfs/dbraw/zinc/42/56/69/621425669.db2.gz MGJWYYWOLXCXLU-GPANFISMSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903721684 621426050 /nfs/dbraw/zinc/42/60/50/621426050.db2.gz DFMSIOONMHHRLB-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733115 621426120 /nfs/dbraw/zinc/42/61/20/621426120.db2.gz JWSSXQBYBUGJSA-QGZVFWFLSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903721685 621426395 /nfs/dbraw/zinc/42/63/95/621426395.db2.gz DFMSIOONMHHRLB-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725004 621427430 /nfs/dbraw/zinc/42/74/30/621427430.db2.gz UNNPEIJSGZLYEU-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729008 621428642 /nfs/dbraw/zinc/42/86/42/621428642.db2.gz JCYXZFPSEDXUKA-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000903727617 621428939 /nfs/dbraw/zinc/42/89/39/621428939.db2.gz WAGXUPWRHKYTFD-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCC(C)(C)CC1 ZINC000903731907 621429499 /nfs/dbraw/zinc/42/94/99/621429499.db2.gz DGJKBTYPQHOCFJ-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP c1cc2c(s1)CCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903729887 621429765 /nfs/dbraw/zinc/42/97/65/621429765.db2.gz SGDFQZNWAGXQDK-CYBMUJFWSA-N 2 0 264.438 2.886 20 0 CFADRP c1ccc(C2([NH2+]C[C@H]3CCCC[NH2+]C3)CCOCC2)cc1 ZINC000903732512 621430149 /nfs/dbraw/zinc/43/01/49/621430149.db2.gz FMJJVXDUAVVEHS-INIZCTEOSA-N 2 0 288.435 2.672 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C2CCCC2)CC1 ZINC000903732915 621430309 /nfs/dbraw/zinc/43/03/09/621430309.db2.gz HQOVMVDISPCWGB-QZTJIDSGSA-N 2 0 292.467 2.657 20 0 CFADRP [NH3+]CC1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC000903713214 621430790 /nfs/dbraw/zinc/43/07/90/621430790.db2.gz IPGDHIHXFSBRPV-UHFFFAOYSA-N 2 0 286.778 2.529 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903746120 621431821 /nfs/dbraw/zinc/43/18/21/621431821.db2.gz FRFLWZHJAUKWDI-AVGNSLFASA-N 2 0 294.361 2.547 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000903748862 621432426 /nfs/dbraw/zinc/43/24/26/621432426.db2.gz BYVHMQOSWJNRRL-DOTOQJQBSA-N 2 0 258.409 2.994 20 0 CFADRP C(C1CCCCC1)[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903733831 621433521 /nfs/dbraw/zinc/43/35/21/621433521.db2.gz RGLXVPBSQBANOE-SFHVURJKSA-N 2 0 293.499 2.574 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734396 621433998 /nfs/dbraw/zinc/43/39/98/621433998.db2.gz YWQDVWXUCAVSDF-SFHVURJKSA-N 2 0 295.515 2.820 20 0 CFADRP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767633 621437173 /nfs/dbraw/zinc/43/71/73/621437173.db2.gz YJFRVAQUXIVVDF-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000903766116 621437286 /nfs/dbraw/zinc/43/72/86/621437286.db2.gz OZUAAQPEPLANJU-DLBZAZTESA-N 2 0 292.467 2.657 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000903766118 621437490 /nfs/dbraw/zinc/43/74/90/621437490.db2.gz OZUAAQPEPLANJU-IRXDYDNUSA-N 2 0 292.467 2.657 20 0 CFADRP CC1(C)CCC(C)(C)[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769720 621437768 /nfs/dbraw/zinc/43/77/68/621437768.db2.gz MXWTWHOBYJJZLM-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[NH+](C[C@@H]2CCCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000903769863 621437934 /nfs/dbraw/zinc/43/79/34/621437934.db2.gz QHUMQJUXIJQBFE-JHJVBQTASA-N 2 0 260.372 2.599 20 0 CFADRP Cc1ccc([C@@H](O)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903791123 621439230 /nfs/dbraw/zinc/43/92/30/621439230.db2.gz NQRCMDYNTMHGAE-KRWDZBQOSA-N 2 0 290.451 2.725 20 0 CFADRP CCc1ncc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)o1 ZINC000903792772 621439583 /nfs/dbraw/zinc/43/95/83/621439583.db2.gz IWKLEEYCAJQUHI-UHFFFAOYSA-N 2 0 299.418 2.730 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[NH+]1CCC2(CCSCC2)CC1 ZINC000903774924 621439660 /nfs/dbraw/zinc/43/96/60/621439660.db2.gz CEJXUZNFVCJFFQ-HNNXBMFYSA-N 2 0 282.497 2.985 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCc2cccnc2)CC1 ZINC000903793047 621439703 /nfs/dbraw/zinc/43/97/03/621439703.db2.gz LLMSWRCVIUWLJT-UHFFFAOYSA-N 2 0 295.430 2.617 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000903778384 621440100 /nfs/dbraw/zinc/44/01/00/621440100.db2.gz MNNRSGREKHRSHA-NVXWUHKLSA-N 2 0 280.456 2.800 20 0 CFADRP Fc1cccc(O[C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)c1 ZINC000903777699 621440122 /nfs/dbraw/zinc/44/01/22/621440122.db2.gz CKUWPLYGLBZONI-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCC[NH2+]C1 ZINC000903781143 621440773 /nfs/dbraw/zinc/44/07/73/621440773.db2.gz OWJSOARTTCCHKY-SFHVURJKSA-N 3 0 295.515 2.676 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C[C@@H]1[NH3+] ZINC000903783546 621441391 /nfs/dbraw/zinc/44/13/91/621441391.db2.gz ZABKDELDSGTVEU-QWHCGFSZSA-N 2 0 286.778 2.573 20 0 CFADRP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903784215 621441458 /nfs/dbraw/zinc/44/14/58/621441458.db2.gz LUYUMBSAWUQLOL-QXGSTGNESA-N 2 0 298.430 2.689 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000903783716 621441512 /nfs/dbraw/zinc/44/15/12/621441512.db2.gz ATILWNCIKNQSBE-OAHLLOKOSA-N 2 0 298.471 2.533 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCCCCCO)CCC1 ZINC000903814966 621442879 /nfs/dbraw/zinc/44/28/79/621442879.db2.gz OTCSYANJTUAWAY-HNNXBMFYSA-N 2 0 268.445 2.523 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810566 621446737 /nfs/dbraw/zinc/44/67/37/621446737.db2.gz FCOFOPBORLVNDN-OAHLLOKOSA-N 2 0 289.423 2.574 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903811266 621447061 /nfs/dbraw/zinc/44/70/61/621447061.db2.gz KPXIGPXXPWEHSL-OAHLLOKOSA-N 2 0 293.480 2.978 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)nc1 ZINC000903811072 621447140 /nfs/dbraw/zinc/44/71/40/621447140.db2.gz JHNNGPGQMRZUJY-INIZCTEOSA-N 2 0 273.424 2.874 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000903826318 621450352 /nfs/dbraw/zinc/45/03/52/621450352.db2.gz IBWVLPXLJZHXND-YCPHGPKFSA-N 2 0 292.398 2.524 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903826484 621450440 /nfs/dbraw/zinc/45/04/40/621450440.db2.gz KHPIOKNAGJMJDM-HIFRSBDPSA-N 2 0 268.470 2.594 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)C1 ZINC000903827183 621450925 /nfs/dbraw/zinc/45/09/25/621450925.db2.gz PVWAZJOPSHUWPA-IMJJTQAJSA-N 2 0 292.398 2.796 20 0 CFADRP c1csc(C[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000903831414 621451553 /nfs/dbraw/zinc/45/15/53/621451553.db2.gz JMRDWBQQROSYCO-HNNXBMFYSA-N 2 0 293.480 2.787 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000903829857 621451698 /nfs/dbraw/zinc/45/16/98/621451698.db2.gz MQFXHMADZNYYQJ-YCPHGPKFSA-N 2 0 275.440 2.922 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903832307 621452148 /nfs/dbraw/zinc/45/21/48/621452148.db2.gz PWOKHBWATFDTNW-HNNXBMFYSA-N 2 0 298.434 2.898 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903876561 621462864 /nfs/dbraw/zinc/46/28/64/621462864.db2.gz YWCVNHCEGBGUNJ-HZPDHXFCSA-N 2 0 268.445 2.644 20 0 CFADRP CN(CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903892706 621465020 /nfs/dbraw/zinc/46/50/20/621465020.db2.gz LSUFVSVVCFOFAW-ALOPSCKCSA-N 2 0 287.451 2.585 20 0 CFADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](CCO)c1ccccc1 ZINC000903895836 621466480 /nfs/dbraw/zinc/46/64/80/621466480.db2.gz QKZFEBGSYJNUSB-NXCDMZCRSA-N 2 0 288.435 2.573 20 0 CFADRP CC(C)(C)CC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903898093 621467037 /nfs/dbraw/zinc/46/70/37/621467037.db2.gz IVUZDDQUFSWIHS-ZDUSSCGKSA-N 2 0 293.459 2.507 20 0 CFADRP COCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@H](C)C1 ZINC000903912747 621472308 /nfs/dbraw/zinc/47/23/08/621472308.db2.gz IWPDPIUWCLDPNI-MKXAEBJUSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000903939152 621472791 /nfs/dbraw/zinc/47/27/91/621472791.db2.gz RQUFKWVMPQLFNW-UHFFFAOYSA-N 2 0 250.317 2.789 20 0 CFADRP CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(C)noc1C ZINC000903920326 621473076 /nfs/dbraw/zinc/47/30/76/621473076.db2.gz IJLNUZUREBMHMF-DKUMPPAJSA-N 2 0 277.412 2.863 20 0 CFADRP Cc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000903922699 621473589 /nfs/dbraw/zinc/47/35/89/621473589.db2.gz CBLDNAOYTOUTKT-GOOCMWNKSA-N 2 0 262.372 2.754 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922773 621473837 /nfs/dbraw/zinc/47/38/37/621473837.db2.gz DODBAASIKJOFRL-RLAWYHOSSA-N 2 0 264.438 2.799 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924480 621474465 /nfs/dbraw/zinc/47/44/65/621474465.db2.gz DMCPJJTWDYVROF-QPBSCJPLSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000903939417 621475627 /nfs/dbraw/zinc/47/56/27/621475627.db2.gz ZXZCNGNWBOMWFA-UHFFFAOYSA-N 2 0 269.392 2.966 20 0 CFADRP CC(C)[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(CO)CCCC1 ZINC000903928159 621475647 /nfs/dbraw/zinc/47/56/47/621475647.db2.gz WOZSNKSDHLKEAM-HMQMGEFJSA-N 2 0 294.483 2.684 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000903933670 621477494 /nfs/dbraw/zinc/47/74/94/621477494.db2.gz VAYCCSPBIKCSAN-NXCDMZCRSA-N 2 0 292.467 2.798 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000903958422 621479860 /nfs/dbraw/zinc/47/98/60/621479860.db2.gz ZUAQVXXSXAJPRZ-ZDUSSCGKSA-N 2 0 260.372 2.791 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCc2c1cccc2F ZINC000903959445 621479936 /nfs/dbraw/zinc/47/99/36/621479936.db2.gz ICYUAXSWFCGLQX-MKBNYLNASA-N 2 0 262.372 2.933 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903960059 621480216 /nfs/dbraw/zinc/48/02/16/621480216.db2.gz WFSZMOHUBJBIOI-IPJQOSJUSA-N 2 0 274.383 2.791 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CCC(C)(C)[NH3+] ZINC000903940070 621481617 /nfs/dbraw/zinc/48/16/17/621481617.db2.gz VNCZTKPNYAAMLO-LBPRGKRZSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939786 621481787 /nfs/dbraw/zinc/48/17/87/621481787.db2.gz MMPFHZJLSKXJMD-GFCCVEGCSA-N 2 0 252.377 2.864 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000903939819 621481831 /nfs/dbraw/zinc/48/18/31/621481831.db2.gz NMHMALCOWKILDX-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP COc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1OC(F)F ZINC000903941255 621482192 /nfs/dbraw/zinc/48/21/92/621482192.db2.gz URSFEVNNFNOVOE-UHFFFAOYSA-N 2 0 288.338 2.514 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000903973395 621492266 /nfs/dbraw/zinc/49/22/66/621492266.db2.gz CCFQQCNLWCCTBV-UKRRQHHQSA-N 2 0 288.435 2.735 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2cccnc21 ZINC000903974231 621492466 /nfs/dbraw/zinc/49/24/66/621492466.db2.gz MPALLOFHTAJKPU-UKRRQHHQSA-N 2 0 269.392 2.570 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975112 621492866 /nfs/dbraw/zinc/49/28/66/621492866.db2.gz XKMDVCRNGKVYSW-UKRRQHHQSA-N 2 0 299.418 2.579 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000903975202 621492938 /nfs/dbraw/zinc/49/29/38/621492938.db2.gz ZPSBSCLEOZJUNL-DGCLKSJQSA-N 2 0 279.453 2.746 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1coc2ccccc12 ZINC000903975067 621493097 /nfs/dbraw/zinc/49/30/97/621493097.db2.gz VUVFIMFZZSKNQV-CHWSQXEVSA-N 2 0 258.365 2.768 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)CC[NH2+]1 ZINC000903978651 621494001 /nfs/dbraw/zinc/49/40/01/621494001.db2.gz JDJKVUBWGTUFMT-XYVMCAHJSA-N 2 0 270.420 2.648 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978681 621494270 /nfs/dbraw/zinc/49/42/70/621494270.db2.gz KBDATOLLCATWJC-TZMCWYRMSA-N 2 0 264.388 2.723 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903977728 621494423 /nfs/dbraw/zinc/49/44/23/621494423.db2.gz XTBNNXHWEQJQSG-VXGBXAGGSA-N 2 0 267.442 2.683 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903966772 621496343 /nfs/dbraw/zinc/49/63/43/621496343.db2.gz BXEJGIBSHWJSAY-INMHGKMJSA-N 2 0 260.425 2.761 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904305438 621569684 /nfs/dbraw/zinc/56/96/84/621569684.db2.gz NTKKTOKKCLGAMI-QGZVFWFLSA-N 2 0 276.424 2.695 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000904305398 621569697 /nfs/dbraw/zinc/56/96/97/621569697.db2.gz MYWOKZFGCJFENY-VHDGCEQUSA-N 2 0 290.407 2.578 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000904307033 621569721 /nfs/dbraw/zinc/56/97/21/621569721.db2.gz IYLIKFHEVLOYHJ-BMFZPTHFSA-N 2 0 276.424 2.685 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000904307034 621569790 /nfs/dbraw/zinc/56/97/90/621569790.db2.gz IYLIKFHEVLOYHJ-CWRNSKLLSA-N 2 0 276.424 2.685 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315765 621571877 /nfs/dbraw/zinc/57/18/77/621571877.db2.gz HDXHJVIDCGPJHQ-GUTXKFCHSA-N 2 0 260.381 2.569 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000904322327 621574056 /nfs/dbraw/zinc/57/40/56/621574056.db2.gz WXWCLOMVFMAGKQ-VHDGCEQUSA-N 2 0 262.422 2.514 20 0 CFADRP C[C@]1(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000904324170 621575329 /nfs/dbraw/zinc/57/53/29/621575329.db2.gz DZRAVAHQPZSIPV-ILXRZTDVSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@]1(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)CCC[NH2+]C1 ZINC000904324171 621575629 /nfs/dbraw/zinc/57/56/29/621575629.db2.gz DZRAVAHQPZSIPV-KFWWJZLASA-N 2 0 268.470 2.736 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904324943 621575704 /nfs/dbraw/zinc/57/57/04/621575704.db2.gz NOBGIVRQVYCADC-CVEARBPZSA-N 2 0 283.504 2.804 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904324944 621575794 /nfs/dbraw/zinc/57/57/94/621575794.db2.gz NOBGIVRQVYCADC-HOTGVXAUSA-N 2 0 283.504 2.804 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904327082 621576033 /nfs/dbraw/zinc/57/60/33/621576033.db2.gz YNTGXXBNYXJCTJ-KRWDZBQOSA-N 2 0 275.440 2.574 20 0 CFADRP CC(C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000904329676 621577065 /nfs/dbraw/zinc/57/70/65/621577065.db2.gz QDIPYRMLVJBVKO-GSJFWJNXSA-N 2 0 252.789 2.902 20 0 CFADRP C[C@H](C[N@H+](C)C[C@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000904331435 621577176 /nfs/dbraw/zinc/57/71/76/621577176.db2.gz HSASAVGADKORNA-TZMCWYRMSA-N 2 0 267.442 2.568 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000904340891 621578291 /nfs/dbraw/zinc/57/82/91/621578291.db2.gz NHTNIPPHYAIKDZ-OCAPTIKFSA-N 2 0 290.251 2.540 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904342330 621578649 /nfs/dbraw/zinc/57/86/49/621578649.db2.gz DHVCVBXUCBTCJE-IAGOWNOFSA-N 2 0 295.515 2.804 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC12CCC2 ZINC000904345962 621579778 /nfs/dbraw/zinc/57/97/78/621579778.db2.gz NGLBKCKVOFYHLO-CABCVRRESA-N 2 0 250.430 2.888 20 0 CFADRP COCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@H]1CC[C@@H](C)C1 ZINC000904345166 621579795 /nfs/dbraw/zinc/57/97/95/621579795.db2.gz DTQFYPUQGCAPFK-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)[C@@H](C)C1 ZINC000904349971 621580045 /nfs/dbraw/zinc/58/00/45/621580045.db2.gz FNINSQQOHUEDOW-BFHYXJOUSA-N 2 0 256.434 2.639 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)Cc1ccsc1 ZINC000904347796 621580103 /nfs/dbraw/zinc/58/01/03/621580103.db2.gz KKMRIQSMCGLQDW-FPMFFAJLSA-N 2 0 252.427 2.738 20 0 CFADRP [NH3+]Cc1ccc(CNCC[NH2+]C2CCCCCC2)cc1 ZINC000904350867 621580275 /nfs/dbraw/zinc/58/02/75/621580275.db2.gz RGQLBXIEUDVFIE-UHFFFAOYSA-N 2 0 275.440 2.547 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H](C[NH3+])C1CCCCC1 ZINC000904352994 621580885 /nfs/dbraw/zinc/58/08/85/621580885.db2.gz FROIKEXZBFPFOX-LSDHHAIUSA-N 2 0 269.477 2.637 20 0 CFADRP CC[NH2+]Cc1cccc(NCc2ccc(C[NH3+])cc2)c1 ZINC000904352773 621581153 /nfs/dbraw/zinc/58/11/53/621581153.db2.gz AFPMSAFEUQLREN-UHFFFAOYSA-N 2 0 269.392 2.867 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904354626 621581700 /nfs/dbraw/zinc/58/17/00/621581700.db2.gz HVXGXBSBZHAGNN-ONGXEEELSA-N 2 0 272.314 2.980 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904354623 621581769 /nfs/dbraw/zinc/58/17/69/621581769.db2.gz HVXGXBSBZHAGNN-GXSJLCMTSA-N 2 0 272.314 2.980 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCCc3cc(N)ccc32)CCC[NH2+]C1 ZINC000904356702 621582511 /nfs/dbraw/zinc/58/25/11/621582511.db2.gz YAAONKCIFJQJDE-DLBZAZTESA-N 2 0 273.424 2.626 20 0 CFADRP C[N@H+](CCNC[C@@H]([NH3+])CCC(C)(C)C)C1CCCC1 ZINC000904362218 621582736 /nfs/dbraw/zinc/58/27/36/621582736.db2.gz IVPRKQMJBTXJJB-AWEZNQCLSA-N 2 0 269.477 2.604 20 0 CFADRP [NH3+]CC1CC([NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000904369291 621584099 /nfs/dbraw/zinc/58/40/99/621584099.db2.gz RUTGUEUHXKUPOW-UHFFFAOYSA-N 2 0 291.395 2.776 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC000904374337 621584802 /nfs/dbraw/zinc/58/48/02/621584802.db2.gz PZBHXHQGWVAQCZ-PHIMTYICSA-N 2 0 250.773 2.656 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]([NH3+])CCC(C)(C)C)CC[NH2+]CC2 ZINC000904373143 621585021 /nfs/dbraw/zinc/58/50/21/621585021.db2.gz BUJQJXODRRMPQE-HUUCEWRRSA-N 3 0 281.488 2.604 20 0 CFADRP CC(C)C[N@H+](Cc1ccccn1)C[C@]1(C)CCC[NH2+]C1 ZINC000904389434 621586674 /nfs/dbraw/zinc/58/66/74/621586674.db2.gz XZDSIASSUQWQRQ-QGZVFWFLSA-N 2 0 275.440 2.929 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000904388842 621586721 /nfs/dbraw/zinc/58/67/21/621586721.db2.gz CSUMXUZFKISDFN-BJHJDKERSA-N 2 0 291.464 2.549 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000904393436 621587015 /nfs/dbraw/zinc/58/70/15/621587015.db2.gz UFISFRSQPLFDCM-OAGGEKHMSA-N 2 0 280.456 2.643 20 0 CFADRP Cc1ccc2c(c1Br)CN(C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904378467 621587530 /nfs/dbraw/zinc/58/75/30/621587530.db2.gz DCLUBQQWFFLEEK-KLPPZKSPSA-N 2 0 295.224 2.810 20 0 CFADRP C[C@]1(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CCC[NH2+]C1 ZINC000904385755 621588828 /nfs/dbraw/zinc/58/88/28/621588828.db2.gz DMIBKNFQRLISSJ-MSOLQXFVSA-N 2 0 294.483 2.905 20 0 CFADRP C[C@]1(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CCC[NH2+]C1 ZINC000904385757 621588864 /nfs/dbraw/zinc/58/88/64/621588864.db2.gz DMIBKNFQRLISSJ-ROUUACIJSA-N 2 0 294.483 2.905 20 0 CFADRP c1cn(C2CC2)c(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000904385437 621588961 /nfs/dbraw/zinc/58/89/61/621588961.db2.gz VUQXCUAAHBAGEI-OAHLLOKOSA-N 2 0 288.439 2.620 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000904404910 621590210 /nfs/dbraw/zinc/59/02/10/621590210.db2.gz ARDVQLHPVUOIPM-LLVKDONJSA-N 2 0 262.328 2.743 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000904405620 621590252 /nfs/dbraw/zinc/59/02/52/621590252.db2.gz LADAEFBNWMPTAS-ZDUSSCGKSA-N 2 0 284.350 2.501 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904404717 621590307 /nfs/dbraw/zinc/59/03/07/621590307.db2.gz DJEWYADRVGQOPU-ZDUSSCGKSA-N 2 0 264.438 2.969 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)oc21 ZINC000904405234 621590412 /nfs/dbraw/zinc/59/04/12/621590412.db2.gz JCAZYIRSBFLQCK-LBPRGKRZSA-N 2 0 274.364 2.612 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1C[NH3+] ZINC000904409598 621591297 /nfs/dbraw/zinc/59/12/97/621591297.db2.gz DECIFWATYCONMW-HIFRSBDPSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@@H]1C[NH3+] ZINC000904410579 621591715 /nfs/dbraw/zinc/59/17/15/621591715.db2.gz OZTCSAJDQJGOCQ-UKRRQHHQSA-N 2 0 258.409 2.592 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410644 621591964 /nfs/dbraw/zinc/59/19/64/621591964.db2.gz QHEONBURVQNFKJ-OCCSQVGLSA-N 2 0 264.388 2.805 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC000904411057 621592476 /nfs/dbraw/zinc/59/24/76/621592476.db2.gz JAQJZZSLKKQJCC-GXTWGEPZSA-N 2 0 250.361 2.551 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)ccc2n1 ZINC000904411324 621592575 /nfs/dbraw/zinc/59/25/75/621592575.db2.gz UQQPWQNSBVWWKT-SUMWQHHRSA-N 2 0 283.419 2.960 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411472 621592791 /nfs/dbraw/zinc/59/27/91/621592791.db2.gz KSTHBRIBLGIBTG-CHWSQXEVSA-N 2 0 250.361 2.551 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)ccc2n1 ZINC000904411321 621592688 /nfs/dbraw/zinc/59/26/88/621592688.db2.gz UQQPWQNSBVWWKT-CXAGYDPISA-N 2 0 283.419 2.960 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@@H]1C[NH3+] ZINC000904411657 621592732 /nfs/dbraw/zinc/59/27/32/621592732.db2.gz OYVTXSCZEIDWBK-ZIAGYGMSSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000904412375 621593496 /nfs/dbraw/zinc/59/34/96/621593496.db2.gz UPUOBXFBISPTEC-DQNOIUNYSA-N 2 0 262.372 2.756 20 0 CFADRP C[C@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@@H]1C[NH3+] ZINC000904412699 621593578 /nfs/dbraw/zinc/59/35/78/621593578.db2.gz XZJGNJSGZAMGDZ-DZGCQCFKSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412645 621593592 /nfs/dbraw/zinc/59/35/92/621593592.db2.gz VQNOEVHXHQCJGB-OLZOCXBDSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Cl)c1 ZINC000904420436 621596187 /nfs/dbraw/zinc/59/61/87/621596187.db2.gz OONYXTGMWHFVHC-VHDGCEQUSA-N 2 0 278.827 2.985 20 0 CFADRP c1cc(OCC2CC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420901 621596250 /nfs/dbraw/zinc/59/62/50/621596250.db2.gz XWPMMCMMBMOLLN-DLBZAZTESA-N 2 0 286.419 2.517 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000904420818 621596312 /nfs/dbraw/zinc/59/63/12/621596312.db2.gz HEYPOZNOMUYFEH-DOTOQJQBSA-N 2 0 258.409 2.653 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000904442643 621598855 /nfs/dbraw/zinc/59/88/55/621598855.db2.gz DWFPCCFOPCULCN-IOASZLSFSA-N 2 0 274.408 2.803 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000904459873 621600031 /nfs/dbraw/zinc/60/00/31/621600031.db2.gz ZHPQRTYIJWPWJQ-OAHLLOKOSA-N 2 0 290.476 2.732 20 0 CFADRP C1C[NH2+][C@H](c2noc([C@H]3CCCCC34CC[NH2+]CC4)n2)C1 ZINC000905304270 621746037 /nfs/dbraw/zinc/74/60/37/621746037.db2.gz JWKJDDWTXMOMOY-OLZOCXBDSA-N 2 0 290.411 2.522 20 0 CFADRP CC(C)C[C@@](C)(C[NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911844406 622563634 /nfs/dbraw/zinc/56/36/34/622563634.db2.gz FRHJCALJQIYTGS-WBMJQRKESA-N 2 0 277.412 2.656 20 0 CFADRP C[C@H]([NH2+]CCCn1cccn1)c1cccc(C[NH+](C)C)c1 ZINC000820806403 622760964 /nfs/dbraw/zinc/76/09/64/622760964.db2.gz HRHQODBHFWMOOJ-HNNXBMFYSA-N 2 0 286.423 2.686 20 0 CFADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccsc1 ZINC000820811521 622763475 /nfs/dbraw/zinc/76/34/75/622763475.db2.gz RLTRZIHSAXXTJF-YPAMNDHTSA-N 2 0 292.448 2.529 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000820815240 622764660 /nfs/dbraw/zinc/76/46/60/622764660.db2.gz QSBYWKLVAWEYSY-DOTOQJQBSA-N 2 0 282.472 2.780 20 0 CFADRP CO[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000821355298 622902689 /nfs/dbraw/zinc/90/26/89/622902689.db2.gz QIXCSCNAZXPPCN-HOTGVXAUSA-N 2 0 266.429 2.504 20 0 CFADRP Cc1cc([C@](C)(O)C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000164171538 622940868 /nfs/dbraw/zinc/94/08/68/622940868.db2.gz PCHDDBGUVXDCPM-QGZVFWFLSA-N 2 0 294.439 2.566 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000164181228 622942274 /nfs/dbraw/zinc/94/22/74/622942274.db2.gz SQNDYBJNCJWEAT-UHFFFAOYSA-N 2 0 272.396 2.685 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cncc2ccccc21 ZINC000165085520 622980087 /nfs/dbraw/zinc/98/00/87/622980087.db2.gz KGEDSUVJUVBLGV-WFASDCNBSA-N 2 0 255.365 2.546 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165075046 622980382 /nfs/dbraw/zinc/98/03/82/622980382.db2.gz JTLZEKJCSPETKL-DZGCQCFKSA-N 2 0 269.392 2.794 20 0 CFADRP COc1c(C)cnc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1C ZINC000226349645 623068077 /nfs/dbraw/zinc/06/80/77/623068077.db2.gz VFESEKVOLVUPHW-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CCSCC2)c2ccccc21 ZINC000229218699 623189348 /nfs/dbraw/zinc/18/93/48/623189348.db2.gz UCMBZRDTMGWPEN-HUUCEWRRSA-N 2 0 262.422 2.864 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCSC1)C[NH+]1CCCCC1 ZINC000061588846 623222910 /nfs/dbraw/zinc/22/29/10/623222910.db2.gz SICOCDAPLKYVNR-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccnc(Cl)c3F)CC[C@H]21 ZINC000823489983 623333862 /nfs/dbraw/zinc/33/38/62/623333862.db2.gz ROPPTQJANLNBPL-DGCLKSJQSA-N 2 0 297.805 2.790 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCCCCCO)CC1 ZINC000173367868 623345926 /nfs/dbraw/zinc/34/59/26/623345926.db2.gz HCJRPEVOAZAUPQ-UHFFFAOYSA-N 2 0 270.461 2.735 20 0 CFADRP CC1CC(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000929429330 623435863 /nfs/dbraw/zinc/43/58/63/623435863.db2.gz ZJQAXUGFFFXNGW-SAGYGOJTSA-N 2 0 293.499 2.523 20 0 CFADRP Fc1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccnc1Cl ZINC000824297725 623486438 /nfs/dbraw/zinc/48/64/38/623486438.db2.gz XRQBKJORAFDTHQ-UHFFFAOYSA-N 2 0 297.805 2.838 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(Cl)Cl ZINC000824771376 623562604 /nfs/dbraw/zinc/56/26/04/623562604.db2.gz BRCBVFRXLVVBSQ-SDDRHHMPSA-N 2 0 277.239 2.787 20 0 CFADRP C[N@H+](CCc1ccccc1F)CC1CC[NH+](C)CC1 ZINC000121368062 624127477 /nfs/dbraw/zinc/12/74/77/624127477.db2.gz NLLWSNBSYKXXRR-UHFFFAOYSA-N 2 0 264.388 2.642 20 0 CFADRP Cc1nc(C)c(C)c(NCC[N@@H+]2CCCC2(C)C)n1 ZINC000829572046 624457095 /nfs/dbraw/zinc/45/70/95/624457095.db2.gz CPWYAFGRXVXSOI-UHFFFAOYSA-N 2 0 262.401 2.688 20 0 CFADRP CCC(CC)[C@@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925475001 624652044 /nfs/dbraw/zinc/65/20/44/624652044.db2.gz BBVWLFUBGYCNBC-SJORKVTESA-N 2 0 278.440 2.853 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000925477638 624676023 /nfs/dbraw/zinc/67/60/23/624676023.db2.gz CJTSRLPJYWGILI-YJBOKZPZSA-N 2 0 289.467 2.929 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H](C)O)ccc1OC ZINC000182177502 625266620 /nfs/dbraw/zinc/26/66/20/625266620.db2.gz IVRRCWRRPFHUFY-UONOGXRCSA-N 2 0 294.439 2.568 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000070171043 625278709 /nfs/dbraw/zinc/27/87/09/625278709.db2.gz BIWAQMPSBIIGBT-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccnc(Cl)c1 ZINC000817960368 625964232 /nfs/dbraw/zinc/96/42/32/625964232.db2.gz YIWKVTSWNXLFFO-PWSUYJOCSA-N 2 0 255.793 2.759 20 0 CFADRP COc1c(C)cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1Cl ZINC000817963923 625965363 /nfs/dbraw/zinc/96/53/63/625965363.db2.gz YJBYMKXKDUATEE-MWLCHTKSSA-N 2 0 270.804 2.902 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)nc1 ZINC000817970548 625967569 /nfs/dbraw/zinc/96/75/69/625967569.db2.gz ZQLAVPRZCHTBQV-WCQGTBRESA-N 2 0 298.228 2.765 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000921527423 625978364 /nfs/dbraw/zinc/97/83/64/625978364.db2.gz NBIGSVDKQIWCLO-HIFRSBDPSA-N 2 0 286.419 2.584 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](SC)C2)C1 ZINC000921546920 625984437 /nfs/dbraw/zinc/98/44/37/625984437.db2.gz JEJIPLDERUGCDC-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](CNCc1c(Cl)n[nH]c1C1CC1)C[NH+]1CCCC1 ZINC000921553013 625985574 /nfs/dbraw/zinc/98/55/74/625985574.db2.gz PIONGFZZDLNNEY-LLVKDONJSA-N 2 0 296.846 2.762 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921559666 625989169 /nfs/dbraw/zinc/98/91/69/625989169.db2.gz XVAVXYQAFHVLIJ-JFIYKMOQSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000921583496 625991085 /nfs/dbraw/zinc/99/10/85/625991085.db2.gz XBUSAPQZESPCEN-GOEBONIOSA-N 2 0 288.435 2.832 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015147 626032467 /nfs/dbraw/zinc/03/24/67/626032467.db2.gz QFXANAVEWWCEFB-ZJUUUORDSA-N 2 0 258.818 2.961 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](SC)C2)CC1 ZINC000921686840 626079509 /nfs/dbraw/zinc/07/95/09/626079509.db2.gz PSVAILSDHFJTGN-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000921689552 626087815 /nfs/dbraw/zinc/08/78/15/626087815.db2.gz SUZYGFXRYUOGPI-ZJPYXAASSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921920304 626178247 /nfs/dbraw/zinc/17/82/47/626178247.db2.gz KTFNWUNZFGVSMJ-HBWZYELFSA-N 2 0 294.483 2.902 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000922138273 626215012 /nfs/dbraw/zinc/21/50/12/626215012.db2.gz IGDFRJSPLAKOQO-RDBSUJKOSA-N 2 0 258.475 2.979 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc2c1OCC2)C1CC1 ZINC000922172644 626229519 /nfs/dbraw/zinc/22/95/19/626229519.db2.gz VGVDBTICVYFYAH-UHFFFAOYSA-N 2 0 274.408 2.586 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000922181104 626232702 /nfs/dbraw/zinc/23/27/02/626232702.db2.gz MYIPLVUVGCIUSF-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C2CCCC2)n1 ZINC000922222668 626244195 /nfs/dbraw/zinc/24/41/95/626244195.db2.gz CKXAJDVXCQUCCS-AKAXFMLLSA-N 2 0 290.455 2.508 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000922222989 626244222 /nfs/dbraw/zinc/24/42/22/626244222.db2.gz GBMXCBUWCZYBLB-YIYPIFLZSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1csc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922846285 626379606 /nfs/dbraw/zinc/37/96/06/626379606.db2.gz BAZYYMWGMYZTSY-UHFFFAOYSA-N 2 0 279.453 2.948 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922846386 626379715 /nfs/dbraw/zinc/37/97/15/626379715.db2.gz ZCYSIPJYUSGIEB-JCCCHCCOSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1ncccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847724 626380203 /nfs/dbraw/zinc/38/02/03/626380203.db2.gz WAHKWQMVLCDVOB-UHFFFAOYSA-N 2 0 273.424 2.887 20 0 CFADRP CCS[C@H]1CC[C@@H]([N@H+](C)CCC[NH2+]C2CC2)C1 ZINC000923315717 626465397 /nfs/dbraw/zinc/46/53/97/626465397.db2.gz YQUNJLPLPBCOOB-KGLIPLIRSA-N 2 0 256.459 2.735 20 0 CFADRP CCCCCC[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329677 626466265 /nfs/dbraw/zinc/46/62/65/626466265.db2.gz XBLXZCNZVIZMPG-QXULXFAOSA-N 2 0 268.445 2.533 20 0 CFADRP c1n[nH]cc1[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923324371 626466503 /nfs/dbraw/zinc/46/65/03/626466503.db2.gz GEHYXRUUTWKLFQ-CVGRLMLNSA-N 2 0 288.439 2.857 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327236 626466838 /nfs/dbraw/zinc/46/68/38/626466838.db2.gz QVKUJKWSZJFANE-XFYFCPPXSA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+]CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)CC1CCCC1 ZINC000923352866 626468624 /nfs/dbraw/zinc/46/86/24/626468624.db2.gz GWXLZJCXMCMLAK-QGZVFWFLSA-N 2 0 294.414 2.700 20 0 CFADRP C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366044 626468876 /nfs/dbraw/zinc/46/88/76/626468876.db2.gz YURPSNMSDQANBQ-PYWTVGQWSA-N 2 0 291.483 2.514 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923361012 626468960 /nfs/dbraw/zinc/46/89/60/626468960.db2.gz GKCJRCUMXNEXBR-KZNAEPCWSA-N 2 0 294.483 2.639 20 0 CFADRP Oc1cccc2c1CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923399841 626470768 /nfs/dbraw/zinc/47/07/68/626470768.db2.gz IDEXSVOCQHBELR-VHRNVKJDSA-N 2 0 286.419 2.671 20 0 CFADRP C(C[NH2+]C1CC1)C[NH+]1CCC2(CCSCC2)CC1 ZINC000923413678 626471209 /nfs/dbraw/zinc/47/12/09/626471209.db2.gz XPAVBYYYYHUFOR-UHFFFAOYSA-N 2 0 268.470 2.738 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923428262 626472252 /nfs/dbraw/zinc/47/22/52/626472252.db2.gz OBQHCRCYIMBNBN-KRWDZBQOSA-N 2 0 276.399 2.834 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000923486688 626475710 /nfs/dbraw/zinc/47/57/10/626475710.db2.gz SUCLXFWVUHBSKS-GFCCVEGCSA-N 2 0 289.354 2.651 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480049 626476004 /nfs/dbraw/zinc/47/60/04/626476004.db2.gz UMSAYCLAIYWBAC-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)co2)cc1 ZINC000923484768 626476216 /nfs/dbraw/zinc/47/62/16/626476216.db2.gz BWOVCSHCCCCJLB-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481601 626476224 /nfs/dbraw/zinc/47/62/24/626476224.db2.gz SHFDZPNUDDVQRH-CQSZACIVSA-N 2 0 276.424 2.989 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923481526 626476306 /nfs/dbraw/zinc/47/63/06/626476306.db2.gz RAZOQEZOBNEGBI-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496028 626476477 /nfs/dbraw/zinc/47/64/77/626476477.db2.gz YXVHDJSNJGLXGX-NWDGAFQWSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493332 626476651 /nfs/dbraw/zinc/47/66/51/626476651.db2.gz SGVRMJNJPNHRFD-LZLYRXPVSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC000923491491 626476678 /nfs/dbraw/zinc/47/66/78/626476678.db2.gz SMPFHIRZMCDNSY-YOEHRIQHSA-N 2 0 296.418 2.560 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@@H]1C[NH3+] ZINC000923490992 626476748 /nfs/dbraw/zinc/47/67/48/626476748.db2.gz POPFHTPLLMEBSU-ZIAGYGMSSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496958 626477087 /nfs/dbraw/zinc/47/70/87/626477087.db2.gz KPMUYLIPCGQZRC-UTUOFQBUSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496956 626477093 /nfs/dbraw/zinc/47/70/93/626477093.db2.gz KPMUYLIPCGQZRC-IJLUTSLNSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498402 626477194 /nfs/dbraw/zinc/47/71/94/626477194.db2.gz HSFOZIDWGIAOFQ-UPJWGTAASA-N 2 0 279.428 2.950 20 0 CFADRP C[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923500231 626477350 /nfs/dbraw/zinc/47/73/50/626477350.db2.gz VRWIQHHQLULCSV-RYUDHWBXSA-N 2 0 284.806 2.938 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1C[NH3+] ZINC000923500686 626477364 /nfs/dbraw/zinc/47/73/64/626477364.db2.gz WVOKECMFBJZFRU-ZYHUDNBSSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)CC[C@H]1C[NH3+] ZINC000923500286 626477421 /nfs/dbraw/zinc/47/74/21/626477421.db2.gz NEORYIJQMHIVEG-RYUDHWBXSA-N 2 0 281.469 2.857 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923503956 626477587 /nfs/dbraw/zinc/47/75/87/626477587.db2.gz MYCHSEYGRNESRW-CVEARBPZSA-N 2 0 276.424 2.599 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923501179 626477607 /nfs/dbraw/zinc/47/76/07/626477607.db2.gz ZNBCVZAZSIDRNF-HOCLYGCPSA-N 2 0 276.424 2.545 20 0 CFADRP COCC[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505012 626477786 /nfs/dbraw/zinc/47/77/86/626477786.db2.gz KNQOFVKEMYGFET-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP CCOCCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506764 626477924 /nfs/dbraw/zinc/47/79/24/626477924.db2.gz ZASYQTXBDHKURH-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1ncccc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507522 626477945 /nfs/dbraw/zinc/47/79/45/626477945.db2.gz QGFGUCBFUARGJM-MRXNPFEDSA-N 2 0 287.451 2.992 20 0 CFADRP CCO[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC000923508842 626477992 /nfs/dbraw/zinc/47/79/92/626477992.db2.gz WZVWOXOFIYQUMV-MAUKXSAKSA-N 2 0 294.483 2.903 20 0 CFADRP Cl/C=C\C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508448 626478053 /nfs/dbraw/zinc/47/80/53/626478053.db2.gz VMGPNTJKXVBBSY-MDVHNNDNSA-N 2 0 256.821 2.841 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516255 626478157 /nfs/dbraw/zinc/47/81/57/626478157.db2.gz WYKOXAXYDCYJPR-IXDOHACOSA-N 2 0 270.420 2.648 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923515438 626478291 /nfs/dbraw/zinc/47/82/91/626478291.db2.gz GMSWYYPWTZTLSK-DLBZAZTESA-N 2 0 258.409 2.851 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923518961 626478377 /nfs/dbraw/zinc/47/83/77/626478377.db2.gz NGQYKOVLIZWYPW-JKSUJKDBSA-N 2 0 274.408 2.515 20 0 CFADRP c1ccc(C2CC2)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521267 626478481 /nfs/dbraw/zinc/47/84/81/626478481.db2.gz LJSLWPZTKFVJRO-GOEBONIOSA-N 2 0 256.393 2.605 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519199 626478500 /nfs/dbraw/zinc/47/85/00/626478500.db2.gz JSPFSXBATBELJM-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923526925 626478524 /nfs/dbraw/zinc/47/85/24/626478524.db2.gz WCLQZPGWQROEOD-GDBMZVCRSA-N 2 0 258.409 2.864 20 0 CFADRP C(=C/[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1)\c1ccccc1 ZINC000923526985 626478602 /nfs/dbraw/zinc/47/86/02/626478602.db2.gz XIJPHERNHOBMSQ-CWDJHMJFSA-N 2 0 298.430 2.543 20 0 CFADRP C[C@]1(Cc2cccs2)CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923530719 626478885 /nfs/dbraw/zinc/47/88/85/626478885.db2.gz IOBBYOCYNOHUSC-DZGCQCFKSA-N 2 0 264.438 2.755 20 0 CFADRP c1ccc(COCCCN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923534305 626478943 /nfs/dbraw/zinc/47/89/43/626478943.db2.gz TWRPZUOYUFWVGK-SFHVURJKSA-N 2 0 288.435 2.811 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000923549559 626479532 /nfs/dbraw/zinc/47/95/32/626479532.db2.gz LZKYXYSLKOQUOT-KRWDZBQOSA-N 2 0 280.456 2.515 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000923549560 626479595 /nfs/dbraw/zinc/47/95/95/626479595.db2.gz LZKYXYSLKOQUOT-QGZVFWFLSA-N 2 0 280.456 2.515 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000838937471 626516750 /nfs/dbraw/zinc/51/67/50/626516750.db2.gz MHLMEHONJQSWPT-HNNXBMFYSA-N 2 0 298.471 2.676 20 0 CFADRP C[N@H+](CCSC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886203328 626538584 /nfs/dbraw/zinc/53/85/84/626538584.db2.gz SIUVGIKEQZRFJR-ZACCUICWSA-N 2 0 282.375 2.796 20 0 CFADRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000757917983 626567711 /nfs/dbraw/zinc/56/77/11/626567711.db2.gz VRSGNWPTZOAHEQ-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP C(C[NH+]1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000760816471 626774012 /nfs/dbraw/zinc/77/40/12/626774012.db2.gz UAYBERLTUHDPJY-UHFFFAOYSA-N 2 0 293.499 2.670 20 0 CFADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000763408835 626986396 /nfs/dbraw/zinc/98/63/96/626986396.db2.gz FXFZVBLPCTZVKZ-IIDMSEBBSA-N 2 0 290.451 2.819 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000765072660 627117250 /nfs/dbraw/zinc/11/72/50/627117250.db2.gz FBBUJDAQAIDXDM-RHSMWYFYSA-N 2 0 258.409 2.914 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)C1CCOCC1 ZINC000765250167 627126383 /nfs/dbraw/zinc/12/63/83/627126383.db2.gz BJRSZYBUPOSKMY-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@H](CC(C)C)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000765252055 627126412 /nfs/dbraw/zinc/12/64/12/627126412.db2.gz PURYIMHBACJDDW-LSDHHAIUSA-N 2 0 281.444 2.949 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCN2CCc3ccccc32)CC1 ZINC000765417416 627136165 /nfs/dbraw/zinc/13/61/65/627136165.db2.gz UNSUTWIDXPVWMU-UHFFFAOYSA-N 2 0 287.451 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCN2CCc3ccccc32)CC1 ZINC000765416542 627136253 /nfs/dbraw/zinc/13/62/53/627136253.db2.gz NVEQJEIHPKRVJF-UHFFFAOYSA-N 2 0 287.451 2.513 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+](C)C)C1 ZINC000765485063 627141270 /nfs/dbraw/zinc/14/12/70/627141270.db2.gz HPKHRLGBOPJFFO-CYBMUJFWSA-N 2 0 285.391 2.774 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000766214519 627184917 /nfs/dbraw/zinc/18/49/17/627184917.db2.gz WXVWGNZZIYXOAU-CYBMUJFWSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cnn(C)c1 ZINC000766512397 627206818 /nfs/dbraw/zinc/20/68/18/627206818.db2.gz KIOPTILEHWOGDB-OOHWJJMZSA-N 2 0 290.455 2.868 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2c(C)noc2C)[C@@H](C)C1 ZINC000766532328 627207841 /nfs/dbraw/zinc/20/78/41/627207841.db2.gz WJWVZPPZIABJAL-BLLLJJGKSA-N 2 0 279.428 2.544 20 0 CFADRP FCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766994419 627230391 /nfs/dbraw/zinc/23/03/91/627230391.db2.gz XVWUQJRQHIUAOK-IAGOWNOFSA-N 2 0 276.399 2.942 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C2CC(C(F)F)C2)c1 ZINC000768711426 627366689 /nfs/dbraw/zinc/36/66/89/627366689.db2.gz PBIHHPGNJXHVEK-UHFFFAOYSA-N 2 0 268.351 2.882 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000769329227 627425349 /nfs/dbraw/zinc/42/53/49/627425349.db2.gz KGGMXWJSMOPAII-UHFFFAOYSA-N 3 0 289.467 2.522 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC(C(F)F)C2)C1 ZINC000769497092 627447868 /nfs/dbraw/zinc/44/78/68/627447868.db2.gz UXYZYGWWOODYID-IWMBGFJWSA-N 2 0 274.399 2.988 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000769519098 627451098 /nfs/dbraw/zinc/45/10/98/627451098.db2.gz HIKDMGHTIKEXKQ-HUUCEWRRSA-N 2 0 286.423 2.863 20 0 CFADRP C[C@@H](CC[NH2+]C1CC(C(F)F)C1)[NH+]1CCCCC1 ZINC000769553413 627455213 /nfs/dbraw/zinc/45/52/13/627455213.db2.gz HTBDJZQGGPTXLP-HIFPTAJRSA-N 2 0 260.372 2.884 20 0 CFADRP CCc1noc(C)c1[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769871682 627482623 /nfs/dbraw/zinc/48/26/23/627482623.db2.gz ZGSUZBGXJPKUOU-DGCLKSJQSA-N 2 0 277.412 2.680 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000774492305 627932417 /nfs/dbraw/zinc/93/24/17/627932417.db2.gz SOBUVVLMQGNKLM-QGZVFWFLSA-N 2 0 290.451 2.881 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775362149 628015821 /nfs/dbraw/zinc/01/58/21/628015821.db2.gz GNFFESUVRVUHPQ-MCIONIFRSA-N 2 0 288.526 2.686 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775366490 628016684 /nfs/dbraw/zinc/01/66/84/628016684.db2.gz XLDURFPUFBIKRC-FRRDWIJNSA-N 2 0 288.526 2.543 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000852045806 634635449 /nfs/dbraw/zinc/63/54/49/634635449.db2.gz NUAGDVOXFFSJBR-NJAFHUGGSA-N 2 0 290.451 2.771 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000852045804 634635523 /nfs/dbraw/zinc/63/55/23/634635523.db2.gz NUAGDVOXFFSJBR-BPQIPLTHSA-N 2 0 290.451 2.771 20 0 CFADRP C[C@H]1C[C@H](Nc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1C ZINC000777699875 628246521 /nfs/dbraw/zinc/24/65/21/628246521.db2.gz FQAJCGHNADXHTB-SWLSCSKDSA-N 2 0 279.403 2.782 20 0 CFADRP C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000779086309 628351407 /nfs/dbraw/zinc/35/14/07/628351407.db2.gz PTZGNMPWTPCBEB-QAPCUYQASA-N 2 0 290.451 2.604 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000779387056 628377946 /nfs/dbraw/zinc/37/79/46/628377946.db2.gz FJSDTGGURXMLRA-MRXNPFEDSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@H](CCO)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000779405436 628379329 /nfs/dbraw/zinc/37/93/29/628379329.db2.gz AGOYQUGLNWTCIE-BZUAXINKSA-N 2 0 290.451 2.504 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@]1(C)CC1(Cl)Cl)C2 ZINC000852105354 634659646 /nfs/dbraw/zinc/65/96/46/634659646.db2.gz ASSAAGOIJSYRBL-CHWSQXEVSA-N 2 0 291.266 2.988 20 0 CFADRP CCC1(CC)[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000782182993 628611152 /nfs/dbraw/zinc/61/11/52/628611152.db2.gz HRCDDAWLTOQEHP-CVEARBPZSA-N 2 0 282.472 2.854 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000783232092 628689615 /nfs/dbraw/zinc/68/96/15/628689615.db2.gz FCBNDEIFNDIPRZ-NJAFHUGGSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000783241904 628691784 /nfs/dbraw/zinc/69/17/84/628691784.db2.gz YFJRHIBUMRNJDI-PBHICJAKSA-N 2 0 276.424 2.558 20 0 CFADRP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000783311989 628699384 /nfs/dbraw/zinc/69/93/84/628699384.db2.gz YFSUMJGPZLJJNA-CYBMUJFWSA-N 2 0 292.345 2.686 20 0 CFADRP c1cc(N2CCC(C[NH2+][C@H]3CCCSC3)CC2)cc[nH+]1 ZINC000783517783 628715714 /nfs/dbraw/zinc/71/57/14/628715714.db2.gz KFVRWCGQXRACKY-HNNXBMFYSA-N 2 0 291.464 2.783 20 0 CFADRP Cc1nc(F)ccc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000785470627 628885660 /nfs/dbraw/zinc/88/56/60/628885660.db2.gz KQJDMOQLCUCQCB-CQSZACIVSA-N 2 0 281.419 2.985 20 0 CFADRP Cc1nc(F)ccc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000785470623 628885786 /nfs/dbraw/zinc/88/57/86/628885786.db2.gz KQJDMOQLCUCQCB-AWEZNQCLSA-N 2 0 281.419 2.985 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000788479624 629073081 /nfs/dbraw/zinc/07/30/81/629073081.db2.gz XPPPRIYMQCPOFW-UHFFFAOYSA-N 3 0 295.515 2.772 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](c2ccccc2)O1 ZINC000788479626 629073221 /nfs/dbraw/zinc/07/32/21/629073221.db2.gz XRZZQOWXKAJOIX-CRAIPNDOSA-N 2 0 288.435 2.790 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000788486028 629073895 /nfs/dbraw/zinc/07/38/95/629073895.db2.gz PNHZUHDWAFCLBV-INIZCTEOSA-N 2 0 259.397 2.560 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788498695 629075270 /nfs/dbraw/zinc/07/52/70/629075270.db2.gz OVABDBFOFXUSHX-UONOGXRCSA-N 2 0 279.428 2.948 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788689668 629092552 /nfs/dbraw/zinc/09/25/52/629092552.db2.gz IJUZOXMLIUZRGV-CYBMUJFWSA-N 2 0 277.799 2.574 20 0 CFADRP O[C@H](CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000791469830 629319249 /nfs/dbraw/zinc/31/92/49/629319249.db2.gz CKINFCGIFBWGOO-QZTJIDSGSA-N 2 0 288.435 2.670 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C)nn2C)CC1 ZINC000793524582 629561233 /nfs/dbraw/zinc/56/12/33/629561233.db2.gz HUWGDCJUQGXQBD-AWEZNQCLSA-N 2 0 278.444 2.501 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000793526383 629562291 /nfs/dbraw/zinc/56/22/91/629562291.db2.gz RGGYPPZFNBLNMK-ZBFHGGJFSA-N 2 0 292.471 2.891 20 0 CFADRP COC1(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCCC1 ZINC000798957066 630264066 /nfs/dbraw/zinc/26/40/66/630264066.db2.gz KZYVZNAVCZXWEW-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000799334477 630299658 /nfs/dbraw/zinc/29/96/58/630299658.db2.gz NNXDVQADRJIVTK-UHFFFAOYSA-N 2 0 298.862 2.675 20 0 CFADRP C[N@H+](CCSC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000801922847 630487911 /nfs/dbraw/zinc/48/79/11/630487911.db2.gz QHWAEHRCSGHFGX-ZDUSSCGKSA-N 2 0 258.475 2.792 20 0 CFADRP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000852758874 634827049 /nfs/dbraw/zinc/82/70/49/634827049.db2.gz GABWDXGOWITZBB-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852759107 634827083 /nfs/dbraw/zinc/82/70/83/634827083.db2.gz JWKVEXZQCZBPCR-HOTGVXAUSA-N 2 0 268.445 2.787 20 0 CFADRP CC[NH+](CC)CCCOC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803859357 630649034 /nfs/dbraw/zinc/64/90/34/630649034.db2.gz ZHWOWBFHYZHKKM-OAHLLOKOSA-N 2 0 284.444 2.526 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)C(C)C)CC1 ZINC000808708662 631031737 /nfs/dbraw/zinc/03/17/37/631031737.db2.gz LMYYYLVSNYNKSA-UHFFFAOYSA-N 2 0 268.445 2.655 20 0 CFADRP O[C@@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000809748117 631279997 /nfs/dbraw/zinc/27/99/97/631279997.db2.gz JTYZOBPJOKKKLJ-SFHVURJKSA-N 2 0 288.435 2.574 20 0 CFADRP CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841010375 631305608 /nfs/dbraw/zinc/30/56/08/631305608.db2.gz WBMLCVITSZMRBC-JFIYKMOQSA-N 2 0 290.451 2.738 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cnc1Cl ZINC000841030168 631311036 /nfs/dbraw/zinc/31/10/36/631311036.db2.gz KUFMWZMUDNNWKN-STQMWFEESA-N 2 0 267.804 2.651 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CC[NH3+])cc(C)c1OC(F)F ZINC000841052064 631322127 /nfs/dbraw/zinc/32/21/27/631322127.db2.gz VAMGERWGEZRHQZ-LLVKDONJSA-N 2 0 272.339 2.732 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]C3(C)CC[NH2+]CC3)ccc2O1 ZINC000841064344 631327443 /nfs/dbraw/zinc/32/74/43/631327443.db2.gz FMYINDONNPHHNS-UHFFFAOYSA-N 2 0 274.408 2.632 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)ccc2O1 ZINC000841085107 631333879 /nfs/dbraw/zinc/33/38/79/631333879.db2.gz UMSJUXZRKUKJBC-DOMZBBRYSA-N 2 0 274.408 2.617 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000841084134 631334199 /nfs/dbraw/zinc/33/41/99/631334199.db2.gz GYTFQEDGFYUNRD-MFKMUULPSA-N 2 0 268.788 2.566 20 0 CFADRP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000841084441 631334394 /nfs/dbraw/zinc/33/43/94/631334394.db2.gz JKRATZHXEIYDHD-CHWSQXEVSA-N 2 0 298.862 2.862 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1COC2 ZINC000841086535 631336140 /nfs/dbraw/zinc/33/61/40/631336140.db2.gz KKNLPVSNVNEROM-YJBOKZPZSA-N 2 0 286.419 2.681 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@@H]13)CC[NH2+]2 ZINC000841088669 631336710 /nfs/dbraw/zinc/33/67/10/631336710.db2.gz BKUIZKWKQQYHSU-SYQHCUMBSA-N 2 0 298.521 2.630 20 0 CFADRP CN(C)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000841088287 631337672 /nfs/dbraw/zinc/33/76/72/631337672.db2.gz ZHFZCHFHMHYSQP-QGZVFWFLSA-N 2 0 298.434 2.717 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000841849106 631480162 /nfs/dbraw/zinc/48/01/62/631480162.db2.gz SEBXPSAZYYAECE-LBPRGKRZSA-N 2 0 263.385 2.554 20 0 CFADRP c1csc(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000842474269 631641177 /nfs/dbraw/zinc/64/11/77/631641177.db2.gz LVELOCHVRLHZBK-HIFRSBDPSA-N 2 0 264.438 2.755 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCOc2ccccc21 ZINC000843053601 631817566 /nfs/dbraw/zinc/81/75/66/631817566.db2.gz DVGAYRDPZSRKND-HNSVSWJLSA-N 2 0 286.419 2.897 20 0 CFADRP C[N@H+](Cc1ccnn1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843055306 631819273 /nfs/dbraw/zinc/81/92/73/631819273.db2.gz XNKDIVXECQHLFT-UHFFFAOYSA-N 2 0 284.407 2.574 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCCCC[NH3+] ZINC000155794544 650032810 /nfs/dbraw/zinc/03/28/10/650032810.db2.gz DEMOJVAEBYLQFO-UHFFFAOYSA-N 2 0 277.412 2.514 20 0 CFADRP CCCOc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1OC ZINC000843107035 631837346 /nfs/dbraw/zinc/83/73/46/631837346.db2.gz PGCBXXAWASFZCP-UHFFFAOYSA-N 2 0 292.423 2.844 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000843127668 631847127 /nfs/dbraw/zinc/84/71/27/631847127.db2.gz FIVVZGBYRQTCLF-UHFFFAOYSA-N 2 0 278.425 2.747 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc12 ZINC000843127937 631847866 /nfs/dbraw/zinc/84/78/66/631847866.db2.gz USEGKKVDYOMKNY-DOTOQJQBSA-N 2 0 298.434 2.775 20 0 CFADRP c1ccc(CSCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843341751 631932746 /nfs/dbraw/zinc/93/27/46/631932746.db2.gz GONPENHSSAHWLY-BRWVUGGUSA-N 2 0 290.476 2.898 20 0 CFADRP COC(=O)c1cc(C[N@H+](C)C2CCC([NH3+])CC2)c(C)s1 ZINC000843355517 631935569 /nfs/dbraw/zinc/93/55/69/631935569.db2.gz SZXQXFQQRBABFM-UHFFFAOYSA-N 2 0 296.436 2.545 20 0 CFADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000843359237 631937445 /nfs/dbraw/zinc/93/74/45/631937445.db2.gz OSAKAAAGTUKFPV-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP COc1ccc2c(NC[C@@H](C)C[NH+](C)C)cc[nH+]c2c1 ZINC000813613858 631942104 /nfs/dbraw/zinc/94/21/04/631942104.db2.gz GSJZJXHIEXXKJA-GFCCVEGCSA-N 2 0 273.380 2.853 20 0 CFADRP Cc1ccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843387025 631942239 /nfs/dbraw/zinc/94/22/39/631942239.db2.gz NRBJWZMOMYXZPP-KRWDZBQOSA-N 2 0 288.435 2.695 20 0 CFADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385412 631942255 /nfs/dbraw/zinc/94/22/55/631942255.db2.gz KXOQTPJJUWZPQX-CHWSQXEVSA-N 2 0 291.266 2.892 20 0 CFADRP Cc1ccccc1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385495 631942376 /nfs/dbraw/zinc/94/23/76/631942376.db2.gz MVWUOIPJFZTHKC-KRWDZBQOSA-N 2 0 288.435 2.695 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000843387001 631942576 /nfs/dbraw/zinc/94/25/76/631942576.db2.gz PSBQMYDSPRQHKR-KGLIPLIRSA-N 2 0 293.842 2.947 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000843388634 631943237 /nfs/dbraw/zinc/94/32/37/631943237.db2.gz UZJMVYCRVXQQNI-OLZOCXBDSA-N 2 0 279.815 2.557 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000843388460 631943662 /nfs/dbraw/zinc/94/36/62/631943662.db2.gz OHAANMHNRDRDMF-KBPBESRZSA-N 2 0 279.815 2.557 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCC[NH3+])C[C@@H]1C ZINC000844221526 632137265 /nfs/dbraw/zinc/13/72/65/632137265.db2.gz PJDSTYLJVNIBJH-JKSUJKDBSA-N 3 0 269.477 2.700 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000844223723 632137837 /nfs/dbraw/zinc/13/78/37/632137837.db2.gz AJWLBRAXUQHCPV-UONOGXRCSA-N 2 0 277.412 2.620 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000844222010 632137862 /nfs/dbraw/zinc/13/78/62/632137862.db2.gz QFKGRYVBUVPJEN-QGZVFWFLSA-N 2 0 281.488 2.846 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn(C)c1Cl ZINC000815115542 632204249 /nfs/dbraw/zinc/20/42/49/632204249.db2.gz IJPZDMOTVSIGJH-ZDUSSCGKSA-N 2 0 298.862 2.818 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000844922438 632332642 /nfs/dbraw/zinc/33/26/42/632332642.db2.gz FGNZEJDPIINEQS-GRYCIOLGSA-N 2 0 250.789 2.798 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]CCC1CC[NH2+]CC1 ZINC000844926552 632335260 /nfs/dbraw/zinc/33/52/60/632335260.db2.gz WDSOWYLJIVSLIP-LBPRGKRZSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000844922533 632337814 /nfs/dbraw/zinc/33/78/14/632337814.db2.gz AJPMNPKNQMWSKL-HBNTYKKESA-N 2 0 265.228 2.691 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccnc1Cl ZINC000844923065 632338056 /nfs/dbraw/zinc/33/80/56/632338056.db2.gz PTLXJFJPBZHENN-SNVBAGLBSA-N 2 0 253.777 2.515 20 0 CFADRP CC(C)COC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846218099 632664472 /nfs/dbraw/zinc/66/44/72/632664472.db2.gz IVLUWXQFCJHUHI-UHFFFAOYSA-N 2 0 256.434 2.643 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CCCCCC[NH3+])no1 ZINC000846218773 632664704 /nfs/dbraw/zinc/66/47/04/632664704.db2.gz UXFBGBGINUWYLG-CQSZACIVSA-N 2 0 251.374 2.639 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000846219407 632665517 /nfs/dbraw/zinc/66/55/17/632665517.db2.gz QEFCRTBGRXCVNN-UHFFFAOYSA-N 2 0 298.434 2.750 20 0 CFADRP [NH3+]CCCCCCN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000846221180 632666649 /nfs/dbraw/zinc/66/66/49/632666649.db2.gz UTDBROYVHAZJSM-MRXNPFEDSA-N 2 0 295.858 2.805 20 0 CFADRP CC(=O)c1ccc2c(c1)CC[N@@H+](CCCCCC[NH3+])CC2 ZINC000846223196 632668152 /nfs/dbraw/zinc/66/81/52/632668152.db2.gz JCCZRUHYQFLSJL-UHFFFAOYSA-N 2 0 288.435 2.809 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCc2cccs2)C1 ZINC000846226728 632668405 /nfs/dbraw/zinc/66/84/05/632668405.db2.gz AVWHKHTWCNPXOY-FVQBIDKESA-N 2 0 294.464 2.651 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CCCCCCC1 ZINC000817888892 632717393 /nfs/dbraw/zinc/71/73/93/632717393.db2.gz KQGXVSMLVOIRAR-BPUTZDHNSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000817889393 632718567 /nfs/dbraw/zinc/71/85/67/632718567.db2.gz UGDKKAUFDDIKDO-WMLDXEAASA-N 2 0 276.424 2.952 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000817891305 632718922 /nfs/dbraw/zinc/71/89/22/632718922.db2.gz JXSGJLRYRXEQLW-BFHYXJOUSA-N 2 0 279.815 2.745 20 0 CFADRP CC(C)CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817892798 632719237 /nfs/dbraw/zinc/71/92/37/632719237.db2.gz PSNLAMUKBFNPFO-BZUAXINKSA-N 2 0 270.461 2.935 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)CC[NH2+]CC1 ZINC000817894335 632719434 /nfs/dbraw/zinc/71/94/34/632719434.db2.gz LNFLYDRMFJMWKG-UONOGXRCSA-N 2 0 298.471 2.580 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817894279 632719468 /nfs/dbraw/zinc/71/94/68/632719468.db2.gz LCYMYBZUQXGNQX-USXIJHARSA-N 2 0 290.451 2.735 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000817895061 632720727 /nfs/dbraw/zinc/72/07/27/632720727.db2.gz UGTWHNDQORHGTC-NEPJUHHUSA-N 2 0 293.436 2.701 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895325 632720757 /nfs/dbraw/zinc/72/07/57/632720757.db2.gz SWVDAUFRTSFLAU-RWEMILLDSA-N 2 0 291.222 2.742 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000817897517 632722267 /nfs/dbraw/zinc/72/22/67/632722267.db2.gz RLWVFTJSLLVOML-WFASDCNBSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817899176 632723140 /nfs/dbraw/zinc/72/31/40/632723140.db2.gz DTDRGEJIJCFBFZ-OLZOCXBDSA-N 2 0 262.397 2.790 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000817899556 632724007 /nfs/dbraw/zinc/72/40/07/632724007.db2.gz HAQQMPLJCFZAPT-KZNAEPCWSA-N 2 0 287.451 2.999 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817905862 632728527 /nfs/dbraw/zinc/72/85/27/632728527.db2.gz OSUZJINLIAINLF-ZWNOBZJWSA-N 2 0 288.794 2.620 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000817912509 632730532 /nfs/dbraw/zinc/73/05/32/632730532.db2.gz APTITBUNUZCOFW-NWDGAFQWSA-N 2 0 273.380 2.724 20 0 CFADRP C(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)CCC[NH+]1CCCC1 ZINC000817913609 632730868 /nfs/dbraw/zinc/73/08/68/632730868.db2.gz LUJCQDKLJIYVFQ-JWTNVVGKSA-N 3 0 293.499 2.905 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817914001 632732170 /nfs/dbraw/zinc/73/21/70/632732170.db2.gz UYAYPAVHEQNALD-SYQHCUMBSA-N 2 0 282.453 2.667 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817917643 632733450 /nfs/dbraw/zinc/73/34/50/632733450.db2.gz QPZWAZGSSHODFR-IXDOHACOSA-N 2 0 288.435 2.750 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC2 ZINC000817921610 632734483 /nfs/dbraw/zinc/73/44/83/632734483.db2.gz CYBCQXPXNDTEFE-WCABBAIRSA-N 2 0 253.415 2.544 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC000817924082 632736805 /nfs/dbraw/zinc/73/68/05/632736805.db2.gz RHPPEAMVOICHQR-SDDRHHMPSA-N 2 0 267.804 2.774 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817926794 632737754 /nfs/dbraw/zinc/73/77/54/632737754.db2.gz VXJZFPLZSAPFAH-GVDBMIGSSA-N 2 0 286.350 2.594 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H](O)c1ccccc1 ZINC000817926808 632737824 /nfs/dbraw/zinc/73/78/24/632737824.db2.gz AHJDMVLTHLGQIY-XRGAULLZSA-N 2 0 264.413 2.604 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817928111 632739155 /nfs/dbraw/zinc/73/91/55/632739155.db2.gz YFXRAINWHJDSTO-HZMBPMFUSA-N 2 0 288.794 2.620 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)Cc2ccccc2)c2ccccc21 ZINC000817929834 632739886 /nfs/dbraw/zinc/73/98/86/632739886.db2.gz LDHPFUFAFJNQIJ-IPELMVKDSA-N 2 0 296.414 2.715 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000817932610 632740873 /nfs/dbraw/zinc/74/08/73/632740873.db2.gz VOKAIUTXZGJUSQ-YEWDVWPNSA-N 2 0 299.418 2.621 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817937242 632741664 /nfs/dbraw/zinc/74/16/64/632741664.db2.gz RBBVKIWOOBBANK-VHSXEESVSA-N 2 0 253.217 2.677 20 0 CFADRP CC(C)c1ccc(C2(O)CCC([NH2+]CCC[NH3+])CC2)cc1 ZINC000817939131 632743104 /nfs/dbraw/zinc/74/31/04/632743104.db2.gz ZJJSHOJEXBZVNP-UHFFFAOYSA-N 2 0 290.451 2.879 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000817946807 632748165 /nfs/dbraw/zinc/74/81/65/632748165.db2.gz FCDRMWZOIJVDIA-JHJVBQTASA-N 2 0 258.475 2.884 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)OCO2 ZINC000817947168 632749303 /nfs/dbraw/zinc/74/93/03/632749303.db2.gz MBWWCVQZZPPRIQ-CYBMUJFWSA-N 2 0 298.386 2.767 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccncc1 ZINC000817948960 632750799 /nfs/dbraw/zinc/75/07/99/632750799.db2.gz MWHZXJBJMIWXQS-KRWDZBQOSA-N 2 0 269.392 2.824 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817952767 632752478 /nfs/dbraw/zinc/75/24/78/632752478.db2.gz MELLJQSPOCDVMP-SWLSCSKDSA-N 2 0 262.397 2.790 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cnn1-c1ccccc1 ZINC000817954440 632753515 /nfs/dbraw/zinc/75/35/15/632753515.db2.gz ZCEYSRNMWWRPRY-QWHCGFSZSA-N 2 0 272.396 2.569 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000817954941 632754365 /nfs/dbraw/zinc/75/43/65/632754365.db2.gz NHWQLLXMINBOIY-QWHCGFSZSA-N 2 0 250.361 2.784 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817954741 632755134 /nfs/dbraw/zinc/75/51/34/632755134.db2.gz ICJFNQPWAZBWGF-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817961818 632762118 /nfs/dbraw/zinc/76/21/18/632762118.db2.gz DDAXBOITMXGXNC-HTQZYQBOSA-N 2 0 276.211 2.821 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000817964393 632762929 /nfs/dbraw/zinc/76/29/29/632762929.db2.gz BBXWEENDSDCTAD-INIZCTEOSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817965424 632764081 /nfs/dbraw/zinc/76/40/81/632764081.db2.gz USGKNJPEJJEMHS-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000817970239 632768808 /nfs/dbraw/zinc/76/88/08/632768808.db2.gz PEEAMIZFDWKBER-RCBQFDQVSA-N 2 0 292.423 2.762 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000817970240 632768839 /nfs/dbraw/zinc/76/88/39/632768839.db2.gz PEEAMIZFDWKBER-VBNZEHGJSA-N 2 0 292.423 2.762 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[NH2+]CC1 ZINC000817971095 632771010 /nfs/dbraw/zinc/77/10/10/632771010.db2.gz ALYPALUSKHOIEL-GVDBMIGSSA-N 2 0 294.483 2.951 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccnc1Cl ZINC000817976052 632773058 /nfs/dbraw/zinc/77/30/58/632773058.db2.gz UNZVCJFGYUDESK-QWRGUYRKSA-N 2 0 255.793 2.903 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cccnc1Cl ZINC000817976048 632773277 /nfs/dbraw/zinc/77/32/77/632773277.db2.gz UNZVCJFGYUDESK-GHMZBOCLSA-N 2 0 255.793 2.903 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccnc(Cl)c1 ZINC000817976919 632775415 /nfs/dbraw/zinc/77/54/15/632775415.db2.gz WVJHEYVNASWMFF-ZYHUDNBSSA-N 2 0 265.788 2.528 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817982072 632778764 /nfs/dbraw/zinc/77/87/64/632778764.db2.gz XEPBDLPTLNGKDG-AAEUAGOBSA-N 2 0 267.804 2.918 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817982079 632779085 /nfs/dbraw/zinc/77/90/85/632779085.db2.gz XEPBDLPTLNGKDG-YPMHNXCESA-N 2 0 267.804 2.918 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000817982342 632779150 /nfs/dbraw/zinc/77/91/50/632779150.db2.gz CJCWLIUXPWNCQH-ABHNRTSZSA-N 3 0 289.467 2.929 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000817982985 632779450 /nfs/dbraw/zinc/77/94/50/632779450.db2.gz XHPZPXDAOGWARG-WOSRLPQWSA-N 2 0 292.423 2.620 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000817984939 632781223 /nfs/dbraw/zinc/78/12/23/632781223.db2.gz CQYLMFOGZDATGQ-YIYPIFLZSA-N 2 0 270.486 2.884 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCO2 ZINC000817985983 632782217 /nfs/dbraw/zinc/78/22/17/632782217.db2.gz OYFVOUDPUWCQIB-BBRMVZONSA-N 2 0 286.419 2.947 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cn1)CC[NH2+]CC2 ZINC000818339824 632832156 /nfs/dbraw/zinc/83/21/56/632832156.db2.gz FNJWGLVBMHPGOG-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]CC2(O)CCCCC2)CC1 ZINC000818959733 632915515 /nfs/dbraw/zinc/91/55/15/632915515.db2.gz RVRMGNZKWMUCOZ-UHFFFAOYSA-N 2 0 282.472 2.783 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000818970303 632918910 /nfs/dbraw/zinc/91/89/10/632918910.db2.gz MIBWYJFCHXAEOH-IBGZPJMESA-N 2 0 298.430 2.962 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000819102685 632964836 /nfs/dbraw/zinc/96/48/36/632964836.db2.gz NZVVCADKADIUOW-WFASDCNBSA-N 2 0 298.858 2.939 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000819103530 632964989 /nfs/dbraw/zinc/96/49/89/632964989.db2.gz YWTHTVOEQPEVLI-DOMZBBRYSA-N 2 0 298.858 2.939 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819135029 632980759 /nfs/dbraw/zinc/98/07/59/632980759.db2.gz SASZHDKDAHCDFN-XHSDSOJGSA-N 2 0 296.842 2.836 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000819152545 632986784 /nfs/dbraw/zinc/98/67/84/632986784.db2.gz WQGYEYJIVROLQW-FUHWJXTLSA-N 2 0 290.451 2.596 20 0 CFADRP C[C@H](CC[NH2+]C[C@@H](O)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000819228252 633028661 /nfs/dbraw/zinc/02/86/61/633028661.db2.gz HELYDKPNRJDVMF-RHSMWYFYSA-N 2 0 294.414 2.713 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000819228635 633029022 /nfs/dbraw/zinc/02/90/22/633029022.db2.gz VLDJKDBPXAHXHR-QGZVFWFLSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)CCc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000819251035 633040780 /nfs/dbraw/zinc/04/07/80/633040780.db2.gz AAGVMLVPRPVCPS-UHFFFAOYSA-N 2 0 290.451 2.576 20 0 CFADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000819252827 633041349 /nfs/dbraw/zinc/04/13/49/633041349.db2.gz YGSWKXXCFXCKMQ-LJQANCHMSA-N 2 0 298.430 2.614 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000819260608 633043588 /nfs/dbraw/zinc/04/35/88/633043588.db2.gz URYONSFTCMYXHC-QGZVFWFLSA-N 2 0 290.451 2.740 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1cccc(Cl)c1)C1CC1 ZINC000819360646 633109875 /nfs/dbraw/zinc/10/98/75/633109875.db2.gz DOIHHZWLYCAYKW-MRXNPFEDSA-N 2 0 296.842 2.837 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000819366513 633133172 /nfs/dbraw/zinc/13/31/72/633133172.db2.gz RCYJBLZYHYWQIT-FUHWJXTLSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc(Cl)n1C ZINC000848529048 633278604 /nfs/dbraw/zinc/27/86/04/633278604.db2.gz SAZKGSIOAYWHKU-CYBMUJFWSA-N 2 0 298.862 2.818 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnc(Cl)c1 ZINC000848556961 633288919 /nfs/dbraw/zinc/28/89/19/633288919.db2.gz DRCXIHQBWJZHHQ-WZRBSPASSA-N 2 0 267.804 2.726 20 0 CFADRP Cc1ccc(OCCN2CC3CCC2(C[NH3+])CC3)cc1 ZINC000848600560 633297730 /nfs/dbraw/zinc/29/77/30/633297730.db2.gz HAJQPVWXTIHWTK-UHFFFAOYSA-N 2 0 274.408 2.577 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CCCCCCC[NH3+])CC1 ZINC000848601093 633298260 /nfs/dbraw/zinc/29/82/60/633298260.db2.gz PUGAAGLIEDXQLQ-UHFFFAOYSA-N 2 0 269.477 2.702 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)c1c(F)cccc1F ZINC000848719527 633324110 /nfs/dbraw/zinc/32/41/10/633324110.db2.gz IQJVDRABHVQHND-FJXFWJLJSA-N 2 0 298.377 2.636 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848722441 633325744 /nfs/dbraw/zinc/32/57/44/633325744.db2.gz NBNLWNVOAIMFMT-VVLHAWIVSA-N 2 0 276.424 2.604 20 0 CFADRP CCN(CC)C(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997126 633451771 /nfs/dbraw/zinc/45/17/71/633451771.db2.gz XDFVVVICXQATKQ-UHFFFAOYSA-N 2 0 282.476 2.899 20 0 CFADRP Cc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000848996296 633451935 /nfs/dbraw/zinc/45/19/35/633451935.db2.gz OPQKORCFKHEBFN-CQSZACIVSA-N 2 0 274.412 2.662 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@H+](C)CC)c1 ZINC000848996827 633452170 /nfs/dbraw/zinc/45/21/70/633452170.db2.gz HJBDROUAVVTQHB-ZDUSSCGKSA-N 2 0 276.428 2.551 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CCCC1 ZINC000848998541 633453239 /nfs/dbraw/zinc/45/32/39/633453239.db2.gz RTZZUUWRBSXYMS-HNNXBMFYSA-N 2 0 280.460 2.698 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NCCC(C)C ZINC000849063896 633483393 /nfs/dbraw/zinc/48/33/93/633483393.db2.gz SDDKTSILYGMLMN-HNNXBMFYSA-N 2 0 282.476 2.801 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCCCC1 ZINC000849084469 633484789 /nfs/dbraw/zinc/48/47/89/633484789.db2.gz SRYDRKOBKNSREI-AWEZNQCLSA-N 2 0 280.460 2.555 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849108499 633487024 /nfs/dbraw/zinc/48/70/24/633487024.db2.gz PGWQSXWROHOUMO-CQSZACIVSA-N 2 0 282.476 2.799 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000849349583 633626187 /nfs/dbraw/zinc/62/61/87/633626187.db2.gz DMGWCKLYRMOPSY-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3C2)CC1(C)C ZINC000858090113 636122438 /nfs/dbraw/zinc/12/24/38/636122438.db2.gz LXCDIZOCVUUIPM-HOCLYGCPSA-N 2 0 288.435 2.700 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cncc(OC)c2)c1 ZINC000850120086 633848276 /nfs/dbraw/zinc/84/82/76/633848276.db2.gz VSYCFAOLWYQARY-UHFFFAOYSA-N 2 0 299.418 2.832 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000850179472 633875258 /nfs/dbraw/zinc/87/52/58/633875258.db2.gz ZYUFWNXNPKMOLV-MNAZLIDISA-N 2 0 280.456 2.941 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000850410301 633981656 /nfs/dbraw/zinc/98/16/56/633981656.db2.gz RBXWGRKLVZHFNN-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000850438503 633992570 /nfs/dbraw/zinc/99/25/70/633992570.db2.gz AKSVWNDZJJFEDF-DGCLKSJQSA-N 2 0 260.372 2.537 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000850442663 633995098 /nfs/dbraw/zinc/99/50/98/633995098.db2.gz OQKCQYGGYPMLSQ-CQSZACIVSA-N 2 0 266.429 2.551 20 0 CFADRP C([NH2+][C@H]1CC[C@@H]1C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000850482548 634012624 /nfs/dbraw/zinc/01/26/24/634012624.db2.gz JZOVVZCGFXFHIS-MSOLQXFVSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000850512051 634025303 /nfs/dbraw/zinc/02/53/03/634025303.db2.gz VAIMWIYJFWPHSO-GDBMZVCRSA-N 2 0 274.408 2.996 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240233 634948700 /nfs/dbraw/zinc/94/87/00/634948700.db2.gz NDFYPUVFDSKKSG-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240234 634948802 /nfs/dbraw/zinc/94/88/02/634948802.db2.gz NDFYPUVFDSKKSG-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000853249142 634950981 /nfs/dbraw/zinc/95/09/81/634950981.db2.gz NOQLGBSWBDGDCX-CZUORRHYSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000853248071 634951448 /nfs/dbraw/zinc/95/14/48/634951448.db2.gz AHJFKZUZUFASOH-ZDUSSCGKSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000853249140 634951699 /nfs/dbraw/zinc/95/16/99/634951699.db2.gz NOQLGBSWBDGDCX-BBRMVZONSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221042 635261365 /nfs/dbraw/zinc/26/13/65/635261365.db2.gz FFHBMPLRNHJXSA-CCKFTAQKSA-N 2 0 298.430 2.851 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221625 635261597 /nfs/dbraw/zinc/26/15/97/635261597.db2.gz QPWYPAHFLSGODL-KSSFIOAISA-N 2 0 286.419 2.980 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)C1 ZINC000854221206 635261661 /nfs/dbraw/zinc/26/16/61/635261661.db2.gz IQAVHIZPLVXSBY-RVKKMQEKSA-N 2 0 284.403 2.733 20 0 CFADRP O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000854229348 635267163 /nfs/dbraw/zinc/26/71/63/635267163.db2.gz LULFRWDDTDEOOQ-MDMSPXHWSA-N 2 0 286.419 2.675 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2Cc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925488436 635370025 /nfs/dbraw/zinc/37/00/25/635370025.db2.gz CTBQPMWZPXYPNN-SIXLDLHFSA-N 2 0 270.420 2.693 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cc2)C12CCC2 ZINC000925490011 635761604 /nfs/dbraw/zinc/76/16/04/635761604.db2.gz GMYOIHYNWOARIK-UONOGXRCSA-N 2 0 280.799 2.578 20 0 CFADRP CC[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584903 635834046 /nfs/dbraw/zinc/83/40/46/635834046.db2.gz UMORMISPHYNYLV-YOEHRIQHSA-N 2 0 291.439 2.785 20 0 CFADRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)c(Cl)n1 ZINC000856770990 635852155 /nfs/dbraw/zinc/85/21/55/635852155.db2.gz VCPSPLZJAHNKCS-UHFFFAOYSA-N 2 0 298.862 2.819 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1(C)C ZINC000858104717 636127118 /nfs/dbraw/zinc/12/71/18/636127118.db2.gz UTZJQBXJDXYBMX-CABCVRRESA-N 2 0 292.471 2.760 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858107110 636128016 /nfs/dbraw/zinc/12/80/16/636128016.db2.gz ZUZHJAZGOJRSQY-CZUORRHYSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000158778728 650236515 /nfs/dbraw/zinc/23/65/15/650236515.db2.gz IXSKDESDYBKBDY-ZMYBRWDISA-N 2 0 298.430 2.946 20 0 CFADRP CCC[C@H](C)CCC[C@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000858405896 636221918 /nfs/dbraw/zinc/22/19/18/636221918.db2.gz UMBUAQYVHLNUIT-JYJNAYRXSA-N 2 0 270.461 2.638 20 0 CFADRP OCc1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000858412878 636226386 /nfs/dbraw/zinc/22/63/86/636226386.db2.gz SICWVDQNLQPIEJ-GOSISDBHSA-N 2 0 297.402 2.650 20 0 CFADRP Cc1ccccc1SC[C@H](C)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000859084800 636445910 /nfs/dbraw/zinc/44/59/10/636445910.db2.gz BKVWARXYGQTRSK-FVQBIDKESA-N 2 0 290.476 2.874 20 0 CFADRP CO[C@@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000859212084 636505994 /nfs/dbraw/zinc/50/59/94/636505994.db2.gz DPDYDJYGSVQJLO-KRWDZBQOSA-N 2 0 276.424 2.605 20 0 CFADRP CCO[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000859291847 636532759 /nfs/dbraw/zinc/53/27/59/636532759.db2.gz NBVCCCCZMZRVKA-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000862288934 637314834 /nfs/dbraw/zinc/31/48/34/637314834.db2.gz JTKLUTVNBPKFIN-YMAMQOFZSA-N 2 0 270.486 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)c2ccccc2)CC1(C)C ZINC000862367817 637339536 /nfs/dbraw/zinc/33/95/36/637339536.db2.gz VVCWQRVCLYGFLB-HOTGVXAUSA-N 2 0 276.424 2.573 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1F ZINC000119104603 637503724 /nfs/dbraw/zinc/50/37/24/637503724.db2.gz UJKMZRTVLYETBB-CYBMUJFWSA-N 2 0 264.388 2.954 20 0 CFADRP Cc1ccc([C@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000075644953 650341949 /nfs/dbraw/zinc/34/19/49/650341949.db2.gz LOWSJANCZAEDPL-GOSISDBHSA-N 2 0 290.451 2.692 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000863482765 637674517 /nfs/dbraw/zinc/67/45/17/637674517.db2.gz KWQWUTPEKYGBBS-MCIGGMRASA-N 2 0 276.346 2.982 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000863643107 637724046 /nfs/dbraw/zinc/72/40/46/637724046.db2.gz GOUKWWJBJYMJIA-HNNXBMFYSA-N 2 0 280.456 2.848 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000864055700 637849275 /nfs/dbraw/zinc/84/92/75/637849275.db2.gz WEDYJMNCGKEQDB-INIZCTEOSA-N 2 0 289.423 2.513 20 0 CFADRP C[NH+](C)[C@@H]1C[C@H](Nc2cc[nH+]cc2C(F)(F)F)C12CCC2 ZINC000864090280 637871053 /nfs/dbraw/zinc/87/10/53/637871053.db2.gz DVHGYGYPJYGDAZ-QWHCGFSZSA-N 2 0 299.340 2.807 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864449777 637983895 /nfs/dbraw/zinc/98/38/95/637983895.db2.gz ANLQUIUVPCMMFI-XJKSGUPXSA-N 2 0 288.439 2.551 20 0 CFADRP CCCC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443282 650389134 /nfs/dbraw/zinc/38/91/34/650389134.db2.gz DENPCQHMTXYWAT-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP CC[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865480084 638368107 /nfs/dbraw/zinc/36/81/07/638368107.db2.gz INOWPRRKJWQFGO-NSHDSACASA-N 2 0 287.329 2.666 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccco2)CC1 ZINC000865715109 638530027 /nfs/dbraw/zinc/53/00/27/638530027.db2.gz JLDHYUMDNFYKDI-UHFFFAOYSA-N 2 0 250.386 2.880 20 0 CFADRP Cc1nocc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716826 638531655 /nfs/dbraw/zinc/53/16/55/638531655.db2.gz FPQQCARMDLSLRI-UHFFFAOYSA-N 2 0 265.401 2.583 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccncc2F)CC1 ZINC000865716946 638532410 /nfs/dbraw/zinc/53/24/10/638532410.db2.gz IYDINYSYDGUBSO-UHFFFAOYSA-N 2 0 279.403 2.821 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2Cl)CC1 ZINC000865717101 638532844 /nfs/dbraw/zinc/53/28/44/638532844.db2.gz ONVFEOUBYTUQDX-UHFFFAOYSA-N 2 0 298.862 2.674 20 0 CFADRP CC(C)([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000865744172 638548530 /nfs/dbraw/zinc/54/85/30/638548530.db2.gz NXIAVWCPCAVOEH-RBSFLKMASA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765545 638561156 /nfs/dbraw/zinc/56/11/56/638561156.db2.gz ZMKSRGHHJZDTIW-WLYUNCDWSA-N 2 0 256.434 2.652 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)C1 ZINC000865827268 638595165 /nfs/dbraw/zinc/59/51/65/638595165.db2.gz GILNKIKMPXMGBG-CYBMUJFWSA-N 2 0 285.313 2.632 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866207841 638770769 /nfs/dbraw/zinc/77/07/69/638770769.db2.gz XUBXSAFGKCEANM-CXAGYDPISA-N 2 0 297.402 2.774 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cccc(C)c2)C1 ZINC000866236226 638776657 /nfs/dbraw/zinc/77/66/57/638776657.db2.gz ATLAEBVRLRMIPC-NVXWUHKLSA-N 2 0 260.425 2.857 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866337384 638798681 /nfs/dbraw/zinc/79/86/81/638798681.db2.gz QONXPRZJTYUULE-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)[C@@H]2CCC[C@@H]21 ZINC000866401958 638815338 /nfs/dbraw/zinc/81/53/38/638815338.db2.gz FACFMJMAGQTPRS-QPSCCSFWSA-N 2 0 268.470 2.592 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467585 638826272 /nfs/dbraw/zinc/82/62/72/638826272.db2.gz LJZYSBMXLLGWAK-HNNXBMFYSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467348 638826328 /nfs/dbraw/zinc/82/63/28/638826328.db2.gz FHHJHFQIVLRFDM-AWEZNQCLSA-N 2 0 292.471 2.890 20 0 CFADRP CCOC[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467221 638826355 /nfs/dbraw/zinc/82/63/55/638826355.db2.gz AIPHKJDOGZWBFM-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000866467845 638826360 /nfs/dbraw/zinc/82/63/60/638826360.db2.gz RUEFBOAHSFBHSD-AWEZNQCLSA-N 2 0 278.444 2.581 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866469975 638826621 /nfs/dbraw/zinc/82/66/21/638826621.db2.gz QWQXEGHXIIBSFS-AWEZNQCLSA-N 2 0 290.455 2.946 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000866517601 638834400 /nfs/dbraw/zinc/83/44/00/638834400.db2.gz JSVYVWNNBZWJTC-PCKAHOCUSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@]1(C)CCCO1 ZINC000866516840 638834477 /nfs/dbraw/zinc/83/44/77/638834477.db2.gz DAMSTKOXQUOIGO-PRLABOORSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518151 638834492 /nfs/dbraw/zinc/83/44/92/638834492.db2.gz TWTJXFNUXJXBBI-AQFXKWCLSA-N 2 0 292.471 2.760 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000866585434 638849350 /nfs/dbraw/zinc/84/93/50/638849350.db2.gz YBAGIZJMVBLCSV-HYVNUMGLSA-N 2 0 256.393 2.700 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000866704031 638868065 /nfs/dbraw/zinc/86/80/65/638868065.db2.gz OFDBSCHTIGOKAU-HZPDHXFCSA-N 2 0 288.460 2.517 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@@H]3C1)C[NH2+]CC2 ZINC000866704634 638868355 /nfs/dbraw/zinc/86/83/55/638868355.db2.gz WQIGPPIVUAFXPC-WBVHZDCISA-N 2 0 288.460 2.517 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nc1 ZINC000866706755 638869225 /nfs/dbraw/zinc/86/92/25/638869225.db2.gz KDEGIVINUWVJHN-INIZCTEOSA-N 2 0 261.413 2.587 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866709055 638869234 /nfs/dbraw/zinc/86/92/34/638869234.db2.gz VMPWUVYLBBLHGW-QGZVFWFLSA-N 2 0 276.424 2.892 20 0 CFADRP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)OC1CCCCCC1 ZINC000866715698 638869801 /nfs/dbraw/zinc/86/98/01/638869801.db2.gz FCVBMYAVPVHBBR-DOTOQJQBSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866717889 638870115 /nfs/dbraw/zinc/87/01/15/638870115.db2.gz SPXJCTSRKLUADH-KRWDZBQOSA-N 3 0 295.515 2.676 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)c1ccc(C[NH3+])cc1 ZINC000867990421 638912057 /nfs/dbraw/zinc/91/20/57/638912057.db2.gz BHJWWXVPHUEHEI-INIZCTEOSA-N 2 0 295.386 2.584 20 0 CFADRP CC[NH+](CC)CCCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000870535751 639708680 /nfs/dbraw/zinc/70/86/80/639708680.db2.gz NLEUGYDVNGZHKR-UHFFFAOYSA-N 2 0 292.423 2.637 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C1CC1 ZINC000872025203 641556464 /nfs/dbraw/zinc/55/64/64/641556464.db2.gz IBRHOIMNLNLVKN-RBSFLKMASA-N 2 0 268.445 2.510 20 0 CFADRP Cc1nccn1CCC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872025339 641556713 /nfs/dbraw/zinc/55/67/13/641556713.db2.gz LEDJPDHGLBVZPS-LLVKDONJSA-N 2 0 277.343 2.777 20 0 CFADRP Cc1nccn1CCC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872025340 641557235 /nfs/dbraw/zinc/55/72/35/641557235.db2.gz LEDJPDHGLBVZPS-NSHDSACASA-N 2 0 277.343 2.777 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CCCOC1 ZINC000872028346 641558937 /nfs/dbraw/zinc/55/89/37/641558937.db2.gz JHPORVSLMXEWSU-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](CC1CCCCC1)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000872033112 641563779 /nfs/dbraw/zinc/56/37/79/641563779.db2.gz FEZYOCSXYNYPKL-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H](CCC(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000872053301 641587658 /nfs/dbraw/zinc/58/76/58/641587658.db2.gz IPTPHVKLLZIDBX-GFCCVEGCSA-N 2 0 264.335 2.959 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000872068035 641599812 /nfs/dbraw/zinc/59/98/12/641599812.db2.gz UXPHZLXIQIHUJV-INIZCTEOSA-N 2 0 292.467 2.942 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000872079187 641611931 /nfs/dbraw/zinc/61/19/31/641611931.db2.gz WDTGFDHXZQEXSA-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@H]1CCCOC1 ZINC000872082147 641615428 /nfs/dbraw/zinc/61/54/28/641615428.db2.gz QDAXLNSJSKYWPG-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCOC1 ZINC000872087154 641621338 /nfs/dbraw/zinc/62/13/38/641621338.db2.gz GKRTUUVPTHADPL-SQNIBIBYSA-N 2 0 294.483 2.903 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000872104973 641635909 /nfs/dbraw/zinc/63/59/09/641635909.db2.gz WEMKRBVTFARABK-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP COCC(C)(C)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000872105798 641636640 /nfs/dbraw/zinc/63/66/40/641636640.db2.gz LZQMDKAQWAYSNY-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000872128609 641656411 /nfs/dbraw/zinc/65/64/11/641656411.db2.gz UMJVUSHAAZRUHA-MGPQQGTHSA-N 2 0 296.455 2.569 20 0 CFADRP C[N@H+](Cc1cccc2ncccc12)C1CCC([NH3+])CC1 ZINC000872141801 641669207 /nfs/dbraw/zinc/66/92/07/641669207.db2.gz UAKVIPNBSIBYQL-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC000872143393 641670335 /nfs/dbraw/zinc/67/03/35/641670335.db2.gz QZQSOSFSGJFZLX-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000872145277 641672685 /nfs/dbraw/zinc/67/26/85/641672685.db2.gz QZZQCSJWDQEZHK-SJORKVTESA-N 2 0 292.467 2.657 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000872145274 641672895 /nfs/dbraw/zinc/67/28/95/641672895.db2.gz QZZQCSJWDQEZHK-DLBZAZTESA-N 2 0 292.467 2.657 20 0 CFADRP Cc1csc([C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000872147074 641674615 /nfs/dbraw/zinc/67/46/15/641674615.db2.gz CUHKKTDFVZUEAG-AWEZNQCLSA-N 2 0 279.453 2.631 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872154772 641675415 /nfs/dbraw/zinc/67/54/15/641675415.db2.gz YNJSYNVAMVNJMK-NWDGAFQWSA-N 2 0 282.350 2.547 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CC(=O)NC1CCCCCCC1 ZINC000872155231 641675957 /nfs/dbraw/zinc/67/59/57/641675957.db2.gz ORLFUHVSQQTWKG-UHFFFAOYSA-N 2 0 297.487 2.666 20 0 CFADRP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCCCCC[NH3+] ZINC000872154806 641676147 /nfs/dbraw/zinc/67/61/47/641676147.db2.gz AZKBBROIVBPMOD-HWOWSKLDSA-N 2 0 297.487 2.521 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156714 641677225 /nfs/dbraw/zinc/67/72/25/641677225.db2.gz LJSISCLBRFNBER-DZKIICNBSA-N 2 0 268.445 2.641 20 0 CFADRP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158425 641679710 /nfs/dbraw/zinc/67/97/10/641679710.db2.gz VADLYUSDTVBOFR-OFQRWUPVSA-N 2 0 296.455 2.558 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000872251489 641718152 /nfs/dbraw/zinc/71/81/52/641718152.db2.gz KFXSGNRSYGGYOI-MRXNPFEDSA-N 2 0 298.434 2.740 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000872253518 641718703 /nfs/dbraw/zinc/71/87/03/641718703.db2.gz BIPHZYPKZIYERA-OAHLLOKOSA-N 2 0 268.445 2.561 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252731 641719236 /nfs/dbraw/zinc/71/92/36/641719236.db2.gz VARFYZFXXNAPPJ-JYJNAYRXSA-N 2 0 282.472 2.805 20 0 CFADRP c1cc(NC2CC[NH+](C3CCC3)CC2)c(C2CC2)c[nH+]1 ZINC000872566418 641858896 /nfs/dbraw/zinc/85/88/96/641858896.db2.gz LOVPPOLEAXAARQ-UHFFFAOYSA-N 2 0 271.408 2.810 20 0 CFADRP C[NH+](C)C1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872572665 641862209 /nfs/dbraw/zinc/86/22/09/641862209.db2.gz NSUWJTGLWLIEAI-UHFFFAOYSA-N 2 0 259.397 2.666 20 0 CFADRP C[NH2+]Cc1ccc(NCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873212158 642070168 /nfs/dbraw/zinc/07/01/68/642070168.db2.gz IOENIUDIYHRMFE-UHFFFAOYSA-N 2 0 287.432 2.725 20 0 CFADRP C[C@@]1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC=CCC1 ZINC000873213778 642070334 /nfs/dbraw/zinc/07/03/34/642070334.db2.gz PJQKVLHMYUJFFN-OAHLLOKOSA-N 2 0 262.422 2.982 20 0 CFADRP F[C@@]1(c2ccccc2)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000873219570 642072669 /nfs/dbraw/zinc/07/26/69/642072669.db2.gz LCDGNWDZPYGRIB-KRWDZBQOSA-N 2 0 276.399 2.947 20 0 CFADRP F[C@]1(c2ccccc2)CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000873219571 642073003 /nfs/dbraw/zinc/07/30/03/642073003.db2.gz LCDGNWDZPYGRIB-QGZVFWFLSA-N 2 0 276.399 2.947 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000873219537 642073062 /nfs/dbraw/zinc/07/30/62/642073062.db2.gz KERJLTGUISKDMC-XTJLLSPMSA-N 3 0 293.499 2.760 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cnc1Cl ZINC000873221499 642073666 /nfs/dbraw/zinc/07/36/66/642073666.db2.gz UOERPRGYUKNHCC-LLVKDONJSA-N 2 0 267.804 2.521 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CC[NH2+]CC1 ZINC000873221146 642074158 /nfs/dbraw/zinc/07/41/58/642074158.db2.gz MQPFISZHYVQHGC-LLVKDONJSA-N 2 0 279.453 2.888 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H](C)C3CC[NH2+]CC3)oc21 ZINC000873221180 642074389 /nfs/dbraw/zinc/07/43/89/642074389.db2.gz OINUDVUASNWKOH-GFCCVEGCSA-N 2 0 288.391 2.919 20 0 CFADRP C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C1CC[NH2+]CC1 ZINC000873222250 642074870 /nfs/dbraw/zinc/07/48/70/642074870.db2.gz ICMPBYNXUUNYAN-JTQLQIEISA-N 2 0 270.779 2.957 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)s1 ZINC000873222282 642075153 /nfs/dbraw/zinc/07/51/53/642075153.db2.gz KIEHKWBEGYUMMX-NSHDSACASA-N 2 0 267.442 2.744 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000873221661 642075211 /nfs/dbraw/zinc/07/52/11/642075211.db2.gz ZWFZHKVXOJNDHV-LSDHHAIUSA-N 2 0 260.425 2.843 20 0 CFADRP COc1ccccc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223733 642076118 /nfs/dbraw/zinc/07/61/18/642076118.db2.gz RWKUPAJNQQJOEQ-QGZVFWFLSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000873223638 642076837 /nfs/dbraw/zinc/07/68/37/642076837.db2.gz QHNAIUBMNKEFQV-KRWDZBQOSA-N 2 0 286.423 2.531 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)o1 ZINC000873224027 642078821 /nfs/dbraw/zinc/07/88/21/642078821.db2.gz WSIGJEGDOBBHFW-INIZCTEOSA-N 2 0 280.412 2.623 20 0 CFADRP COc1ccc2cc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)ccc2c1 ZINC000873227973 642080530 /nfs/dbraw/zinc/08/05/30/642080530.db2.gz NPCSFHYRAHALOD-PKOBYXMFSA-N 2 0 296.414 2.890 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000873229178 642081861 /nfs/dbraw/zinc/08/18/61/642081861.db2.gz OGYLLQLHMQVKEQ-PKOBYXMFSA-N 2 0 293.414 2.790 20 0 CFADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232738 642086169 /nfs/dbraw/zinc/08/61/69/642086169.db2.gz YYMRTSWMSFYXFO-GDBMZVCRSA-N 2 0 290.455 2.838 20 0 CFADRP c1nc2ccccn2c1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232873 642087139 /nfs/dbraw/zinc/08/71/39/642087139.db2.gz PJSCZXKMOXAYKK-INIZCTEOSA-N 2 0 298.434 2.736 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[C@H]2C2CC2)c2c(c1)C[NH2+]CC2 ZINC000873236626 642088072 /nfs/dbraw/zinc/08/80/72/642088072.db2.gz YPSRVIGBXBDGOG-IRXDYDNUSA-N 2 0 256.393 2.611 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCSC1 ZINC000873235763 642088110 /nfs/dbraw/zinc/08/81/10/642088110.db2.gz QBRKZMCUFMVMMA-CWRNSKLLSA-N 2 0 278.465 2.678 20 0 CFADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH2+]C1 ZINC000873238264 642089800 /nfs/dbraw/zinc/08/98/00/642089800.db2.gz YRNFOWJZQFUXQC-YYIAUSFCSA-N 2 0 293.499 2.665 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000873241499 642090577 /nfs/dbraw/zinc/09/05/77/642090577.db2.gz DSOQOJKKBOUPMD-CAOSSQGBSA-N 2 0 292.467 2.702 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000873241500 642090584 /nfs/dbraw/zinc/09/05/84/642090584.db2.gz DSOQOJKKBOUPMD-JJXSEGSLSA-N 2 0 292.467 2.702 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000873241501 642090940 /nfs/dbraw/zinc/09/09/40/642090940.db2.gz DSOQOJKKBOUPMD-JONQDZQNSA-N 2 0 292.467 2.702 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000873242162 642091586 /nfs/dbraw/zinc/09/15/86/642091586.db2.gz MIYJDTCXRGQVAY-IAGOWNOFSA-N 3 0 281.488 2.747 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cnccc2N)CC1 ZINC000873241954 642091637 /nfs/dbraw/zinc/09/16/37/642091637.db2.gz JFYBWEQQPWQXQT-CQSZACIVSA-N 2 0 290.455 2.655 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000873248140 642094529 /nfs/dbraw/zinc/09/45/29/642094529.db2.gz AEORLUZEZJTNNS-NBIFXARBSA-N 3 0 287.451 2.984 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CCCS2 ZINC000873248627 642095430 /nfs/dbraw/zinc/09/54/30/642095430.db2.gz CBHIXEGMOWJZQB-TYNCELHUSA-N 2 0 292.448 2.949 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248492 642095619 /nfs/dbraw/zinc/09/56/19/642095619.db2.gz BNIAEXNKHSDCBD-WZRBSPASSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCC1)C1C[NH2+]C1 ZINC000873250352 642096565 /nfs/dbraw/zinc/09/65/65/642096565.db2.gz QXINTRMZXPRTLB-GFCCVEGCSA-N 2 0 278.827 2.959 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000873250070 642096670 /nfs/dbraw/zinc/09/66/70/642096670.db2.gz DEBZVZLSHGWSPF-MAZHCROVSA-N 2 0 274.408 2.790 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000873250733 642096690 /nfs/dbraw/zinc/09/66/90/642096690.db2.gz ISBPCIQADNZLLA-DRPJVOAASA-N 2 0 258.409 2.896 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250276 642096971 /nfs/dbraw/zinc/09/69/71/642096971.db2.gz GCPVTNDSMQZAIL-GUTXKFCHSA-N 2 0 260.381 2.536 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C2CC2)c1 ZINC000873252200 642097420 /nfs/dbraw/zinc/09/74/20/642097420.db2.gz PYUPXVGWZGDFHO-HYVNUMGLSA-N 2 0 258.409 2.643 20 0 CFADRP Cc1cc([C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C2CC2)ccc1F ZINC000873253029 642098572 /nfs/dbraw/zinc/09/85/72/642098572.db2.gz XXIRPYDVOKJMCE-DIOULYMOSA-N 2 0 262.372 2.912 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253660 642100000 /nfs/dbraw/zinc/10/00/00/642100000.db2.gz BOMGPKXCBDQDBG-WZRBSPASSA-N 2 0 250.411 2.796 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000873254436 642100165 /nfs/dbraw/zinc/10/01/65/642100165.db2.gz TXRROFISDLHUDN-UHIISALHSA-N 2 0 280.799 2.881 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255228 642100715 /nfs/dbraw/zinc/10/07/15/642100715.db2.gz FAZHSDCKVVAQNS-MWQQHZPXSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255226 642100964 /nfs/dbraw/zinc/10/09/64/642100964.db2.gz FAZHSDCKVVAQNS-DZUCGIPZSA-N 2 0 258.409 2.824 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255417 642101068 /nfs/dbraw/zinc/10/10/68/642101068.db2.gz GCPVTNDSMQZAIL-YDHLFZDLSA-N 2 0 260.381 2.536 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C2CC2)cc1 ZINC000873254888 642101072 /nfs/dbraw/zinc/10/10/72/642101072.db2.gz CDSIJJAOXKJVJR-DJIMGWMZSA-N 2 0 258.409 2.643 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1C ZINC000873254833 642101189 /nfs/dbraw/zinc/10/11/89/642101189.db2.gz AAUCXWAMDGTSRS-MGPQQGTHSA-N 2 0 262.397 2.700 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000873255769 642101562 /nfs/dbraw/zinc/10/15/62/642101562.db2.gz JXQIVFCKZQJDJQ-RAEVTNRLSA-N 2 0 262.372 2.789 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000873255884 642101861 /nfs/dbraw/zinc/10/18/61/642101861.db2.gz JUAIXRSPUOZIRY-MLCUULIWSA-N 2 0 266.429 2.584 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000873256045 642101886 /nfs/dbraw/zinc/10/18/86/642101886.db2.gz LNLZURLZBAZFTK-SHTZXODSSA-N 3 0 295.515 2.993 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000873257185 642102711 /nfs/dbraw/zinc/10/27/11/642102711.db2.gz FIBZHNOSQLAFLA-NHCYSSNCSA-N 2 0 288.313 2.973 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CCS2 ZINC000873256837 642102891 /nfs/dbraw/zinc/10/28/91/642102891.db2.gz PAKXVZUQGLNBKT-JTNHKYCSSA-N 2 0 278.421 2.559 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873258825 642103346 /nfs/dbraw/zinc/10/33/46/642103346.db2.gz VPMJGWJMSBWPKS-GLXFQSAKSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000873258741 642103721 /nfs/dbraw/zinc/10/37/21/642103721.db2.gz UBJMZGSKDKWOCH-FXPVBKGRSA-N 2 0 256.752 2.867 20 0 CFADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000873258188 642103774 /nfs/dbraw/zinc/10/37/74/642103774.db2.gz NOOAWDYHENIROJ-GMTAPVOTSA-N 2 0 298.814 2.745 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000873258965 642104481 /nfs/dbraw/zinc/10/44/81/642104481.db2.gz WWAPRESQLINUMT-GIPNMCIBSA-N 2 0 266.385 2.690 20 0 CFADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261990 642106336 /nfs/dbraw/zinc/10/63/36/642106336.db2.gz UXDVPMUYJBAJKH-AICCOOGYSA-N 2 0 250.430 2.931 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000873263792 642107114 /nfs/dbraw/zinc/10/71/14/642107114.db2.gz KFZNTIJBRWGIGT-ZHCJQAHYSA-N 2 0 292.467 2.844 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)n1 ZINC000873265976 642109544 /nfs/dbraw/zinc/10/95/44/642109544.db2.gz YIYVEBHQZWTXBH-DMRZNYOFSA-N 2 0 273.424 2.880 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000873268111 642111089 /nfs/dbraw/zinc/11/10/89/642111089.db2.gz RFMMSYDMMVKYMJ-BDJLRTHQSA-N 2 0 262.372 2.791 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C[C@H]1OC ZINC000873268293 642111237 /nfs/dbraw/zinc/11/12/37/642111237.db2.gz UKCATONWJNEHMP-BPLDGKMQSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268724 642111257 /nfs/dbraw/zinc/11/12/57/642111257.db2.gz ZGHQLNXMYBKHMU-CXAGYDPISA-N 2 0 258.409 2.960 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873269152 642111730 /nfs/dbraw/zinc/11/17/30/642111730.db2.gz MVKYTKUSHNRVRZ-QWHCGFSZSA-N 2 0 289.423 2.684 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270459 642112591 /nfs/dbraw/zinc/11/25/91/642112591.db2.gz UWTYTNVGNRKSSJ-GUYCJALGSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000873270694 642112826 /nfs/dbraw/zinc/11/28/26/642112826.db2.gz AGBGFFONZJWIFY-GJZGRUSLSA-N 2 0 298.434 2.911 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873271945 642113338 /nfs/dbraw/zinc/11/33/38/642113338.db2.gz MVKYTKUSHNRVRZ-STQMWFEESA-N 2 0 289.423 2.684 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272173 642113345 /nfs/dbraw/zinc/11/33/45/642113345.db2.gz QACQIAZCMJCPCY-STQMWFEESA-N 2 0 261.413 2.683 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873272104 642113355 /nfs/dbraw/zinc/11/33/55/642113355.db2.gz OPUVKLWCZMZYIX-BPUTZDHNSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000873272660 642113591 /nfs/dbraw/zinc/11/35/91/642113591.db2.gz WEKOWMJKKFXERD-QWHCGFSZSA-N 2 0 293.430 2.930 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272426 642113674 /nfs/dbraw/zinc/11/36/74/642113674.db2.gz SDENEJCKKGGERJ-ZQIUZPCESA-N 2 0 276.424 2.740 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273128 642114513 /nfs/dbraw/zinc/11/45/13/642114513.db2.gz YFJGFHGFLDWGOW-QWRGUYRKSA-N 2 0 268.426 2.795 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000873276046 642115138 /nfs/dbraw/zinc/11/51/38/642115138.db2.gz QKWGQKAZLVTYMZ-JJRVBVJISA-N 2 0 275.440 2.898 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873281390 642116659 /nfs/dbraw/zinc/11/66/59/642116659.db2.gz IJVCSGODIOFQJQ-YLALRLGGSA-N 2 0 292.467 2.844 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)s1)C1C[NH2+]C1 ZINC000873281854 642117083 /nfs/dbraw/zinc/11/70/83/642117083.db2.gz PUKIKSQIGRALTD-SNVBAGLBSA-N 2 0 252.427 2.743 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873285112 642119527 /nfs/dbraw/zinc/11/95/27/642119527.db2.gz YPZZVPXCEGPAJQ-NVXWUHKLSA-N 2 0 269.392 2.984 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290775 642123054 /nfs/dbraw/zinc/12/30/54/642123054.db2.gz RTQACRKEQPUCHZ-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873291444 642123839 /nfs/dbraw/zinc/12/38/39/642123839.db2.gz VWHNELHINWKGSX-RDJZCZTQSA-N 2 0 288.435 2.804 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873292126 642123875 /nfs/dbraw/zinc/12/38/75/642123875.db2.gz ZXFFRPMTFMFQRE-KGLIPLIRSA-N 2 0 294.464 2.866 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291607 642124161 /nfs/dbraw/zinc/12/41/61/642124161.db2.gz LKCKSPCSNJTNBG-ULQDDVLXSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000873294779 642125942 /nfs/dbraw/zinc/12/59/42/642125942.db2.gz ZXGLOJSURJCAKP-VQHPVUNQSA-N 2 0 294.483 2.950 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000873982760 642315442 /nfs/dbraw/zinc/31/54/42/642315442.db2.gz RJFXPAFGBVPSMA-UHFFFAOYSA-N 2 0 289.423 2.563 20 0 CFADRP C[C@H]1C[N@H+](CC2(C)CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876781342 643006775 /nfs/dbraw/zinc/00/67/75/643006775.db2.gz GJLVHFFPQKRVEN-DLBZAZTESA-N 2 0 293.499 2.525 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000876898333 643056327 /nfs/dbraw/zinc/05/63/27/643056327.db2.gz KUOKGDIXXPIASA-LBPRGKRZSA-N 2 0 279.255 2.892 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000876992476 643096411 /nfs/dbraw/zinc/09/64/11/643096411.db2.gz VZJYVRWCDLRPCQ-VFVRVIDISA-N 2 0 278.377 2.639 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000876992474 643096533 /nfs/dbraw/zinc/09/65/33/643096533.db2.gz VZJYVRWCDLRPCQ-LXIYXOSZSA-N 2 0 278.377 2.639 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000089144706 650828218 /nfs/dbraw/zinc/82/82/18/650828218.db2.gz PXWHUXNVHNAJSI-YOEHRIQHSA-N 2 0 276.424 2.830 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089144702 650828383 /nfs/dbraw/zinc/82/83/83/650828383.db2.gz PXWHUXNVHNAJSI-PBHICJAKSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877525030 643328468 /nfs/dbraw/zinc/32/84/68/643328468.db2.gz OHHPIFIREXLVBB-WDEREUQCSA-N 2 0 265.228 2.500 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000877524847 643328512 /nfs/dbraw/zinc/32/85/12/643328512.db2.gz IKTLEIKHDUMAMM-DOTOQJQBSA-N 2 0 275.440 2.723 20 0 CFADRP COc1cnc(F)c(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000877552762 643353772 /nfs/dbraw/zinc/35/37/72/643353772.db2.gz WQMLJRGDDAMSAY-UHFFFAOYSA-N 2 0 295.402 2.585 20 0 CFADRP CCCn1nccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684425 643453210 /nfs/dbraw/zinc/45/32/10/643453210.db2.gz ULJHSMYMWJQPMD-UHFFFAOYSA-N 2 0 290.455 2.601 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1n[nH]c3ccccc31)CC2 ZINC000877683902 643453305 /nfs/dbraw/zinc/45/33/05/643453305.db2.gz AQUAZIPIXMUSAZ-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP Cc1cnccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684117 643453784 /nfs/dbraw/zinc/45/37/84/643453784.db2.gz GYAYENRCAGCFSQ-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc(F)ncc2F)CC1 ZINC000877711668 643478285 /nfs/dbraw/zinc/47/82/85/643478285.db2.gz UDXHWDCSGFDFMF-UHFFFAOYSA-N 2 0 283.366 2.712 20 0 CFADRP CCOC[C@@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718829 643481966 /nfs/dbraw/zinc/48/19/66/643481966.db2.gz VHBYNVRSPBNJFD-MRXNPFEDSA-N 2 0 290.451 2.665 20 0 CFADRP Cc1cc(C)cc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877737951 643499343 /nfs/dbraw/zinc/49/93/43/643499343.db2.gz JBMQZHFPYUUWIZ-ZWKOTPCHSA-N 2 0 272.436 2.872 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000877743957 643518651 /nfs/dbraw/zinc/51/86/51/643518651.db2.gz NPHFIVYNULSGCQ-BFYDXBDKSA-N 2 0 286.419 2.579 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746785 643525193 /nfs/dbraw/zinc/52/51/93/643525193.db2.gz XBHBLTRWRCKSFP-IAGOWNOFSA-N 2 0 293.499 2.525 20 0 CFADRP C[NH+]1CCN(C2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC000877746746 643525903 /nfs/dbraw/zinc/52/59/03/643525903.db2.gz WJMIGWDQWVUJAH-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP C=Cn1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cn1 ZINC000877767865 643546661 /nfs/dbraw/zinc/54/66/61/643546661.db2.gz XNTOIOHBPILGFE-UHFFFAOYSA-N 2 0 290.455 2.783 20 0 CFADRP Cc1cnc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cn1 ZINC000877767214 643547238 /nfs/dbraw/zinc/54/72/38/643547238.db2.gz CHOXKGYCALBOQV-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCCCC2)CC1)C1CC1 ZINC000877794901 643561570 /nfs/dbraw/zinc/56/15/70/643561570.db2.gz VIDSSLOZMTZLFR-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749535 650853921 /nfs/dbraw/zinc/85/39/21/650853921.db2.gz OEEJZLUZBOCKCB-CABCVRRESA-N 2 0 276.424 2.558 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000877971343 643672721 /nfs/dbraw/zinc/67/27/21/643672721.db2.gz XCCOTPRFVHGTHH-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000877988382 643680777 /nfs/dbraw/zinc/68/07/77/643680777.db2.gz FZTZPIPZMWWODU-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000877988727 643682486 /nfs/dbraw/zinc/68/24/86/643682486.db2.gz KJSZCPUVEIYJSZ-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878034668 643703975 /nfs/dbraw/zinc/70/39/75/643703975.db2.gz QGIZRJZAGNJPFU-MRXNPFEDSA-N 2 0 282.472 2.996 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)OC1 ZINC000878123526 643748345 /nfs/dbraw/zinc/74/83/45/643748345.db2.gz AXEXZRLQHJWPTI-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878124568 643748692 /nfs/dbraw/zinc/74/86/92/643748692.db2.gz IKCSXBVRPPMSFF-JKSUJKDBSA-N 2 0 278.440 2.506 20 0 CFADRP C[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000878125901 643749345 /nfs/dbraw/zinc/74/93/45/643749345.db2.gz UDNIGVGWVGBBFW-GJZGRUSLSA-N 2 0 282.472 2.854 20 0 CFADRP C[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000878125898 643749472 /nfs/dbraw/zinc/74/94/72/643749472.db2.gz UDNIGVGWVGBBFW-CABCVRRESA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878148865 643759248 /nfs/dbraw/zinc/75/92/48/643759248.db2.gz ROEKDPRWOGNDSM-YVSFHVDLSA-N 2 0 280.456 2.608 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878148226 643759772 /nfs/dbraw/zinc/75/97/72/643759772.db2.gz MSIIZTHQKTZYLP-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878156658 643764551 /nfs/dbraw/zinc/76/45/51/643764551.db2.gz NMFSYNGHLLQJQB-DLBZAZTESA-N 2 0 292.467 2.752 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878159691 643767183 /nfs/dbraw/zinc/76/71/83/643767183.db2.gz RLDAUFFJDJOTEI-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)[C@H](C)C1 ZINC000878259136 643812640 /nfs/dbraw/zinc/81/26/40/643812640.db2.gz ZRROVZUKDKTXRJ-JSRQGNBESA-N 2 0 280.456 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(C)(C)CO2)[C@H](C)C1 ZINC000878259107 643812894 /nfs/dbraw/zinc/81/28/94/643812894.db2.gz ZBGVJNHPWFSAEH-OAGGEKHMSA-N 2 0 282.472 2.854 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878328785 643843031 /nfs/dbraw/zinc/84/30/31/643843031.db2.gz OFPGEIVKXHPOIU-OKZBNKHCSA-N 2 0 294.483 2.998 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878513390 643923170 /nfs/dbraw/zinc/92/31/70/643923170.db2.gz ZYDGSNDDYVGMDW-LSDHHAIUSA-N 2 0 282.472 2.996 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000878864277 644054436 /nfs/dbraw/zinc/05/44/36/644054436.db2.gz WYIFHZGTSYSEAI-LBPRGKRZSA-N 2 0 291.266 2.988 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CC[C@@H](O)c3ccccc3)C2)CC1 ZINC000878866086 644056135 /nfs/dbraw/zinc/05/61/35/644056135.db2.gz HDWSJICJALFHGK-QGZVFWFLSA-N 2 0 288.435 2.528 20 0 CFADRP CCC[C@@H](C(=O)OCC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248532 644194485 /nfs/dbraw/zinc/19/44/85/644194485.db2.gz VHLKTHNROJHLDA-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000879250089 644194673 /nfs/dbraw/zinc/19/46/73/644194673.db2.gz MBWWURUBYXPPID-CQSZACIVSA-N 2 0 277.412 2.852 20 0 CFADRP Cc1cccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879248743 644195212 /nfs/dbraw/zinc/19/52/12/644195212.db2.gz ZSHHJPLUUOEEAD-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP Cc1cnc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)nc1 ZINC000879702967 644388078 /nfs/dbraw/zinc/38/80/78/644388078.db2.gz AOAYJZNZXFBPAZ-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP CC(C)C[N@H+](C[C@H]1CC[C@@H](C)O1)CC1CC[NH+](C)CC1 ZINC000879703771 644389813 /nfs/dbraw/zinc/38/98/13/644389813.db2.gz WYBMTTMLNYCDOQ-NVXWUHKLSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734285 644401923 /nfs/dbraw/zinc/40/19/23/644401923.db2.gz ILXAIRYQPBWJCX-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000880255136 644615102 /nfs/dbraw/zinc/61/51/02/644615102.db2.gz BLARLLQEIRLNHV-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccsc2)CCN1c1cc[nH+]cc1 ZINC000880258125 644615880 /nfs/dbraw/zinc/61/58/80/644615880.db2.gz CPCPQCYCLOPEGT-ZDUSSCGKSA-N 2 0 273.405 2.854 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258599 644616289 /nfs/dbraw/zinc/61/62/89/644616289.db2.gz AXHWEYCHJHBJKK-ZBFHGGJFSA-N 2 0 289.423 2.550 20 0 CFADRP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC000880260543 644617373 /nfs/dbraw/zinc/61/73/73/644617373.db2.gz QCGBKHYIIDWNDR-HNNXBMFYSA-N 2 0 297.402 2.801 20 0 CFADRP COc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1 ZINC000880260202 644617623 /nfs/dbraw/zinc/61/76/23/644617623.db2.gz NVYCRBOVNOBJOU-OAHLLOKOSA-N 2 0 297.402 2.801 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccs2)CCN1c1cc[nH+]cc1 ZINC000880259023 644617685 /nfs/dbraw/zinc/61/76/85/644617685.db2.gz GPOLCKLNONURJM-ZDUSSCGKSA-N 2 0 273.405 2.854 20 0 CFADRP C[C@H]1C[N@H+](CCC(=O)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880261051 644618939 /nfs/dbraw/zinc/61/89/39/644618939.db2.gz TVTNOTRCPSQKTQ-AWEZNQCLSA-N 2 0 289.423 2.597 20 0 CFADRP FC[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](CF)C2)C1 ZINC000880297590 644637705 /nfs/dbraw/zinc/63/77/05/644637705.db2.gz PZVSJXAEBFRBCT-HUUCEWRRSA-N 2 0 274.399 2.740 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452483 650940212 /nfs/dbraw/zinc/94/02/12/650940212.db2.gz HYQMSTJMRXYDMR-FGTMMUONSA-N 2 0 288.435 2.843 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCCCO2)CC1 ZINC000880456277 644716818 /nfs/dbraw/zinc/71/68/18/644716818.db2.gz IFOKCPWIHNCNLJ-OAHLLOKOSA-N 2 0 266.429 2.506 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880474180 644728256 /nfs/dbraw/zinc/72/82/56/644728256.db2.gz FQANGBUMYKOUFV-IRXDYDNUSA-N 2 0 293.499 2.525 20 0 CFADRP c1ccc(CC[N@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021283 650950656 /nfs/dbraw/zinc/95/06/56/650950656.db2.gz TXNKQQSKGIUVMR-UHFFFAOYSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000094372461 650957338 /nfs/dbraw/zinc/95/73/38/650957338.db2.gz CIMUIUHLPLUUSR-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]1C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)S1 ZINC000251705315 650992488 /nfs/dbraw/zinc/99/24/88/650992488.db2.gz OKXPNUPZYRHOKP-UUQIVFDPSA-N 2 0 268.470 2.733 20 0 CFADRP COCc1c(C)cc(C)c(C[NH2+]CCC[NH+](C)C)c1C ZINC000882879134 645488652 /nfs/dbraw/zinc/48/86/52/645488652.db2.gz IWRLPKZUQXWXRH-UHFFFAOYSA-N 2 0 278.440 2.800 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000883171227 645639073 /nfs/dbraw/zinc/63/90/73/645639073.db2.gz RXHTXMBRBXWCOB-NVXWUHKLSA-N 2 0 295.515 2.817 20 0 CFADRP CN(C)Cc1cnc(C[NH2+]CC2(CC3CC3)CC2)s1 ZINC000883248848 645696603 /nfs/dbraw/zinc/69/66/03/645696603.db2.gz IGTQNINHNIFPBP-UHFFFAOYSA-N 2 0 279.453 2.875 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H](C)C1 ZINC000883322433 645740270 /nfs/dbraw/zinc/74/02/70/645740270.db2.gz FZDNHQOOWZIILV-RFBLXINOSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000883352506 645755985 /nfs/dbraw/zinc/75/59/85/645755985.db2.gz CDFXNCULCACVHK-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131627413 645766841 /nfs/dbraw/zinc/76/68/41/645766841.db2.gz NSYKICOROIQBQM-GJZGRUSLSA-N 2 0 292.423 2.523 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883379174 645781077 /nfs/dbraw/zinc/78/10/77/645781077.db2.gz QRWDIKBZVLEKEW-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883416470 645808677 /nfs/dbraw/zinc/80/86/77/645808677.db2.gz VRCAZQRUICSSAY-SZMVWBNQSA-N 2 0 288.435 2.968 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883415840 645809239 /nfs/dbraw/zinc/80/92/39/645809239.db2.gz FZCMKBUSXFSODD-MSOLQXFVSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883417642 645811242 /nfs/dbraw/zinc/81/12/42/645811242.db2.gz IJVJTSRJCUIAJH-BSWAZPDLSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883417363 645811347 /nfs/dbraw/zinc/81/13/47/645811347.db2.gz YALPBQNQDHDXQD-BHYGNILZSA-N 2 0 274.408 2.577 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883418075 645813009 /nfs/dbraw/zinc/81/30/09/645813009.db2.gz WKRIPCZOYSMEMC-AVGNSLFASA-N 2 0 260.372 2.871 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883425458 645818355 /nfs/dbraw/zinc/81/83/55/645818355.db2.gz UYMDOIRRUIQGCP-XOYOTBSWSA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883426999 645820500 /nfs/dbraw/zinc/82/05/00/645820500.db2.gz GDFLYKAFORVRSE-OLZOCXBDSA-N 2 0 260.372 2.873 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)CC[C@H]1[NH3+] ZINC000883427058 645820598 /nfs/dbraw/zinc/82/05/98/645820598.db2.gz HIDBOTMEYJLWGQ-FRRDWIJNSA-N 2 0 260.372 2.871 20 0 CFADRP CN(C[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@@H](C[NH3+])C1CC1 ZINC000883428310 645822296 /nfs/dbraw/zinc/82/22/96/645822296.db2.gz QSTCIVPLQQHSSI-BZSNNMDCSA-N 2 0 288.435 2.966 20 0 CFADRP CC(C)(C)[C@H](CN)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883429627 645823460 /nfs/dbraw/zinc/82/34/60/645823460.db2.gz ANMQLPYNJLXMTM-OAGGEKHMSA-N 2 0 276.424 2.870 20 0 CFADRP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883429701 645823607 /nfs/dbraw/zinc/82/36/07/645823607.db2.gz BUELQZSLISOSRW-UONOGXRCSA-N 2 0 272.383 2.887 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883432600 645826318 /nfs/dbraw/zinc/82/63/18/645826318.db2.gz VRAIZYXHGHZGTB-UPJWGTAASA-N 2 0 260.372 2.729 20 0 CFADRP CN(C[C@@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)[NH3+] ZINC000883434783 645827653 /nfs/dbraw/zinc/82/76/53/645827653.db2.gz AVNRVDOKIWYAFL-LSDHHAIUSA-N 2 0 262.397 2.576 20 0 CFADRP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000883462266 645844969 /nfs/dbraw/zinc/84/49/69/645844969.db2.gz NFHLZWUIQSSCCY-KEYYUXOJSA-N 2 0 256.393 2.920 20 0 CFADRP [NH3+]CCCCCC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000883462788 645845819 /nfs/dbraw/zinc/84/58/19/645845819.db2.gz ZUDGWIPIKMSVEZ-QGZVFWFLSA-N 2 0 287.451 2.990 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C(C)(C)[C@H]([NH3+])C(C)C)c1 ZINC000884014487 646097979 /nfs/dbraw/zinc/09/79/79/646097979.db2.gz NOECYIYAIJQVPQ-OAHLLOKOSA-N 2 0 291.439 2.744 20 0 CFADRP CCN1CCC[C@H]1C[NH2+]Cc1cncc2ccccc21 ZINC000135371305 646526361 /nfs/dbraw/zinc/52/63/61/646526361.db2.gz CLQQDIDWQIRADR-INIZCTEOSA-N 2 0 269.392 2.809 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000135374073 646526741 /nfs/dbraw/zinc/52/67/41/646526741.db2.gz LQBWTODYFPYMPL-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000135373584 646527234 /nfs/dbraw/zinc/52/72/34/646527234.db2.gz FMOCAMDYIBRZBQ-AWEZNQCLSA-N 2 0 281.403 2.809 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135373934 646527483 /nfs/dbraw/zinc/52/74/83/646527483.db2.gz JRAIFWJMPAIOII-IAGOWNOFSA-N 2 0 281.403 2.951 20 0 CFADRP CCC1([NH+]2CCC2)CCN(c2cc[nH+]c(C)c2)CC1 ZINC000884717443 646540530 /nfs/dbraw/zinc/54/05/30/646540530.db2.gz BJFDCYWNZARCHK-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000885926747 646771095 /nfs/dbraw/zinc/77/10/95/646771095.db2.gz HVTLWVSMDSTULZ-NVXWUHKLSA-N 2 0 280.456 2.798 20 0 CFADRP C(C1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1)[NH+]1CCCC1 ZINC000885956776 646782760 /nfs/dbraw/zinc/78/27/60/646782760.db2.gz YJRLYTFOAXMKHH-ROUUACIJSA-N 2 0 292.467 2.752 20 0 CFADRP C[NH+]1CCC(C[NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885968846 646788904 /nfs/dbraw/zinc/78/89/04/646788904.db2.gz BHFKKFHKQQQVGB-HYXAFXHYSA-N 2 0 262.372 2.770 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886014851 646817047 /nfs/dbraw/zinc/81/70/47/646817047.db2.gz QARINRMHDRMDDI-QLBOMPFWSA-N 2 0 294.414 2.785 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886062771 646850243 /nfs/dbraw/zinc/85/02/43/646850243.db2.gz XGAUSNSVYIXUJQ-ZBFHGGJFSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCCn1ccnc1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886093680 646863596 /nfs/dbraw/zinc/86/35/96/646863596.db2.gz GPPXOKVPBGPHDJ-HNNXBMFYSA-N 2 0 277.412 2.554 20 0 CFADRP CSC1(C[NH2+]Cc2cc(C)co2)CC[NH+](C)CC1 ZINC000886120603 646880473 /nfs/dbraw/zinc/88/04/73/646880473.db2.gz JEUYPTMAFZOKSW-UHFFFAOYSA-N 2 0 268.426 2.505 20 0 CFADRP C[NH+](C)[C@H]1CCCN(CCSC(F)(F)F)CC1 ZINC000886171809 646906216 /nfs/dbraw/zinc/90/62/16/646906216.db2.gz OTTJXPNDLCKGNB-JTQLQIEISA-N 2 0 270.364 2.656 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886202793 646917816 /nfs/dbraw/zinc/91/78/16/646917816.db2.gz FASYFKRMGCVMMI-ALILYOIUSA-N 2 0 278.440 2.501 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC[C@@H](C3CC3)O1)CC2 ZINC000886305948 646960707 /nfs/dbraw/zinc/96/07/07/646960707.db2.gz VCFVXSGHIMHTRN-SJORKVTESA-N 2 0 292.467 2.752 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000886312238 646963851 /nfs/dbraw/zinc/96/38/51/646963851.db2.gz XTFPDEYLPZAVSQ-HOTGVXAUSA-N 2 0 292.398 2.593 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000886312237 646964102 /nfs/dbraw/zinc/96/41/02/646964102.db2.gz XTFPDEYLPZAVSQ-CVEARBPZSA-N 2 0 292.398 2.593 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000886512317 647025062 /nfs/dbraw/zinc/02/50/62/647025062.db2.gz BWOUNKLKPSKCFU-CGZBRXJRSA-N 2 0 280.456 2.942 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000886516287 647025935 /nfs/dbraw/zinc/02/59/35/647025935.db2.gz ATLIKLOVCOCFGL-YOEHRIQHSA-N 2 0 280.456 2.941 20 0 CFADRP CCOC[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522827 647027849 /nfs/dbraw/zinc/02/78/49/647027849.db2.gz RLGGTQAQMRWCQQ-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H](COC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886529968 647030986 /nfs/dbraw/zinc/03/09/86/647030986.db2.gz AWDMYUINFQTTIP-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000886533285 647033334 /nfs/dbraw/zinc/03/33/34/647033334.db2.gz YGTKVJGHUYALKV-NUWOQIAWSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000886533352 647033552 /nfs/dbraw/zinc/03/35/52/647033552.db2.gz ZEAWTMAPNMNGMV-PBHCIXSXSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cn[nH]c1 ZINC000886556476 647046333 /nfs/dbraw/zinc/04/63/33/647046333.db2.gz CRBDYDWJUVRGHZ-IUDNXUCKSA-N 2 0 276.428 2.857 20 0 CFADRP C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886558966 647046484 /nfs/dbraw/zinc/04/64/84/647046484.db2.gz WRWIFAGDXBRTBB-JWMHWRSXSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886560313 647047140 /nfs/dbraw/zinc/04/71/40/647047140.db2.gz VFLAPYLSPLKPCJ-ORBLRFAASA-N 2 0 280.456 2.941 20 0 CFADRP COC1CC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886587938 647055660 /nfs/dbraw/zinc/05/56/60/647055660.db2.gz IMRFHKQCNQQYQW-UHFFFAOYSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C[NH+](C)C ZINC000886613864 647067749 /nfs/dbraw/zinc/06/77/49/647067749.db2.gz GYMOTQHYUAAPGD-KLAILNCOSA-N 3 0 281.488 2.571 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617712 647071020 /nfs/dbraw/zinc/07/10/20/647071020.db2.gz WIPYRHNTLCQVME-CKDBGZEDSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000886623779 647073633 /nfs/dbraw/zinc/07/36/33/647073633.db2.gz NUXJSZZJIMSZPQ-INIZCTEOSA-N 2 0 278.444 2.581 20 0 CFADRP C[C@H]1CC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000886623690 647074294 /nfs/dbraw/zinc/07/42/94/647074294.db2.gz LCNPVJUTNKZPMF-SOEBMCCKSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000886636492 647080862 /nfs/dbraw/zinc/08/08/62/647080862.db2.gz OZSVXDCGBBKESE-AQFXKWCLSA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](c2ncccn2)C1 ZINC000886678271 647106076 /nfs/dbraw/zinc/10/60/76/647106076.db2.gz AMGXRQYMIOPLEF-HZPDHXFCSA-N 2 0 288.439 2.530 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000886715976 647120039 /nfs/dbraw/zinc/12/00/39/647120039.db2.gz KQMDDCDKKWZMAG-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@H]2CC[C@@H](C)O2)CC1 ZINC000886716045 647120354 /nfs/dbraw/zinc/12/03/54/647120354.db2.gz MPLYBSHGGOPEKY-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000886715973 647120361 /nfs/dbraw/zinc/12/03/61/647120361.db2.gz KQMDDCDKKWZMAG-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886837189 647158793 /nfs/dbraw/zinc/15/87/93/647158793.db2.gz CPGXUAFBFOAMNO-NWDGAFQWSA-N 2 0 296.402 2.951 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000886837067 647158926 /nfs/dbraw/zinc/15/89/26/647158926.db2.gz ASPSATYAYWBWCL-SJORKVTESA-N 2 0 292.467 2.657 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886839840 647159523 /nfs/dbraw/zinc/15/95/23/647159523.db2.gz NGUVPURWBUNVNW-WKULXVSPSA-N 2 0 292.467 2.641 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886839654 647159706 /nfs/dbraw/zinc/15/97/06/647159706.db2.gz JMKLXFNWJFPFNA-XMTFNYHQSA-N 2 0 292.467 2.641 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000886858287 647162801 /nfs/dbraw/zinc/16/28/01/647162801.db2.gz UYHBMXAQWSTMKQ-LSDHHAIUSA-N 2 0 293.480 2.706 20 0 CFADRP COc1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886874556 647165254 /nfs/dbraw/zinc/16/52/54/647165254.db2.gz QGBHGTWJYDBBRX-QGZVFWFLSA-N 2 0 274.408 2.661 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872100 647165768 /nfs/dbraw/zinc/16/57/68/647165768.db2.gz JAIFRRJMJNVAOA-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132406 647222229 /nfs/dbraw/zinc/22/22/29/647222229.db2.gz FEQPIHRPMNWXPN-HUUCEWRRSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC000887134344 647223218 /nfs/dbraw/zinc/22/32/18/647223218.db2.gz IDPFSPCNDUCDQL-NVXWUHKLSA-N 2 0 289.423 2.551 20 0 CFADRP Cc1cnccc1CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134665 647223837 /nfs/dbraw/zinc/22/38/37/647223837.db2.gz NNLMKNAAEQKLEE-INIZCTEOSA-N 2 0 296.418 2.538 20 0 CFADRP C=C/C=C/CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136330 647224443 /nfs/dbraw/zinc/22/44/43/647224443.db2.gz QEKXFKAVOJMGAM-RGDDUWESSA-N 2 0 257.381 2.724 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NCC1CC1 ZINC000887348344 647278721 /nfs/dbraw/zinc/27/87/21/647278721.db2.gz FGSNCRUISCRRCJ-UHFFFAOYSA-N 2 0 288.439 2.551 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925497454 647844836 /nfs/dbraw/zinc/84/48/36/647844836.db2.gz WMVAUMSWRVOVSX-QGZVFWFLSA-N 2 0 287.451 2.513 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000925498032 647854954 /nfs/dbraw/zinc/85/49/54/647854954.db2.gz AZNGXGQLLQGIMS-OALUTQOASA-N 2 0 298.430 2.660 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000925498034 647855691 /nfs/dbraw/zinc/85/56/91/647855691.db2.gz AZNGXGQLLQGIMS-RBUKOAKNSA-N 2 0 298.430 2.660 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000925496187 647870343 /nfs/dbraw/zinc/87/03/43/647870343.db2.gz YIDJDTYOHKKUDY-SOUVJXGZSA-N 2 0 293.480 2.615 20 0 CFADRP CN(CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925496257 647871201 /nfs/dbraw/zinc/87/12/01/647871201.db2.gz UFKQUCULLOSZIC-QGZVFWFLSA-N 2 0 287.451 2.777 20 0 CFADRP CN(CC[NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CCCC1 ZINC000925499718 647879355 /nfs/dbraw/zinc/87/93/55/647879355.db2.gz SUAAZZAWJZFQMO-SFHVURJKSA-N 2 0 289.467 2.931 20 0 CFADRP CC[NH+]1CCC(NC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000924569359 647996892 /nfs/dbraw/zinc/99/68/92/647996892.db2.gz GGIZJRHSWUALDV-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]1C ZINC000924607074 648006974 /nfs/dbraw/zinc/00/69/74/648006974.db2.gz PQRVBJHCKALWFJ-RVKKMQEKSA-N 2 0 288.435 2.795 20 0 CFADRP CC(C)C[C@H](C[NH2+][C@@H](C)Cc1ccccn1)N(C)C ZINC000924630108 648012678 /nfs/dbraw/zinc/01/26/78/648012678.db2.gz XBPNXIOQYUMZDF-GOEBONIOSA-N 2 0 263.429 2.579 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(C2CCC2)c1 ZINC000924650057 648019379 /nfs/dbraw/zinc/01/93/79/648019379.db2.gz PODQDINJACSQMF-UONOGXRCSA-N 2 0 288.439 2.743 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000924683143 648025527 /nfs/dbraw/zinc/02/55/27/648025527.db2.gz FKACGZCFPVKUBO-NXOAAHMSSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)CO1 ZINC000924683118 648025612 /nfs/dbraw/zinc/02/56/12/648025612.db2.gz FFTWTAHEOQYBPA-GSXDDRDBSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)cn1 ZINC000924684708 648027106 /nfs/dbraw/zinc/02/71/06/648027106.db2.gz MTHIKPHXNVGRKV-XHSDSOJGSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C(C)(C)CO ZINC000924688152 648027415 /nfs/dbraw/zinc/02/74/15/648027415.db2.gz RBTWQMBFCBUXHS-GJZGRUSLSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000924688998 648027851 /nfs/dbraw/zinc/02/78/51/648027851.db2.gz WDYWRVNXLSVHPK-FXUDXRNXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924688006 648027952 /nfs/dbraw/zinc/02/79/52/648027952.db2.gz ZDMSOJHLCXXIEM-BBWFWOEESA-N 2 0 289.467 2.970 20 0 CFADRP C[C@H]1OC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000924689001 648028050 /nfs/dbraw/zinc/02/80/50/648028050.db2.gz WDYWRVNXLSVHPK-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C)CC2(CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CO1 ZINC000924695523 648028768 /nfs/dbraw/zinc/02/87/68/648028768.db2.gz LVPDEDFSNIBEKV-UJEKJILKSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000924869721 648063653 /nfs/dbraw/zinc/06/36/53/648063653.db2.gz PCJQNCMGKIXUFW-XJKSGUPXSA-N 2 0 294.464 2.585 20 0 CFADRP COCC[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924889628 648066930 /nfs/dbraw/zinc/06/69/30/648066930.db2.gz DNWBBNKIIQZYGX-ZIAGYGMSSA-N 2 0 264.413 2.824 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924955630 648078634 /nfs/dbraw/zinc/07/86/34/648078634.db2.gz PSZGVHHJFNDROP-ROUUACIJSA-N 2 0 293.499 2.715 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924954143 648078822 /nfs/dbraw/zinc/07/88/22/648078822.db2.gz FRLDMVUTYWMWAC-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924958749 648079463 /nfs/dbraw/zinc/07/94/63/648079463.db2.gz HITMLQRAUGPEFI-CVEARBPZSA-N 2 0 275.440 2.723 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960050 648080709 /nfs/dbraw/zinc/08/07/09/648080709.db2.gz RECHCTWXUGWNOT-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CCN(C)C1CCCC1 ZINC000924970605 648083198 /nfs/dbraw/zinc/08/31/98/648083198.db2.gz RROLBNIJIYPBNV-GDBMZVCRSA-N 2 0 270.461 2.780 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000925023708 648089914 /nfs/dbraw/zinc/08/99/14/648089914.db2.gz PGRUNMQRYAYBBB-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925040715 648092445 /nfs/dbraw/zinc/09/24/45/648092445.db2.gz KZBLSIRJKXUCFU-CZUORRHYSA-N 2 0 264.413 2.560 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)on1 ZINC000925048385 648094192 /nfs/dbraw/zinc/09/41/92/648094192.db2.gz IJBXZLHDFPFNBI-AWEZNQCLSA-N 2 0 295.427 2.990 20 0 CFADRP CC[C@H]1CCCCN1CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925050029 648095329 /nfs/dbraw/zinc/09/53/29/648095329.db2.gz CBFPFCAGDMLAFQ-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCOc1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000925065697 648098106 /nfs/dbraw/zinc/09/81/06/648098106.db2.gz XSZSQVVFKMKUHZ-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccnnc1 ZINC000925075669 648101008 /nfs/dbraw/zinc/10/10/08/648101008.db2.gz SDEZFYUZXXQQPR-GFCCVEGCSA-N 2 0 288.370 2.528 20 0 CFADRP CSC1CC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000925087828 648103322 /nfs/dbraw/zinc/10/33/22/648103322.db2.gz YWSBFQIXZXNLTR-WXRRBKDZSA-N 2 0 258.475 2.836 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCOC[C@H]2C(C)C)CC1 ZINC000925149523 648117389 /nfs/dbraw/zinc/11/73/89/648117389.db2.gz AUWDBNRXIJDXQL-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925150159 648117507 /nfs/dbraw/zinc/11/75/07/648117507.db2.gz GRIICMKZPZPHEC-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925153366 648118215 /nfs/dbraw/zinc/11/82/15/648118215.db2.gz XRZKLBYKYDWUQN-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925174917 648123161 /nfs/dbraw/zinc/12/31/61/648123161.db2.gz DJYYLFXINFLXNK-CVEARBPZSA-N 2 0 289.467 2.883 20 0 CFADRP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925188156 648126924 /nfs/dbraw/zinc/12/69/24/648126924.db2.gz RQBWVZGZZPVXPI-HZPDHXFCSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+](C4CCCC4)CC3)C2)CO1 ZINC000925221919 648134312 /nfs/dbraw/zinc/13/43/12/648134312.db2.gz RMSXGEHPJWCZTJ-MXWWQKGMSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925459442 648174531 /nfs/dbraw/zinc/17/45/31/648174531.db2.gz GMVJDVOKTUENMU-CXAGYDPISA-N 2 0 276.424 2.560 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925472303 648177708 /nfs/dbraw/zinc/17/77/08/648177708.db2.gz DDAJFBSGOAHVPT-QGZVFWFLSA-N 2 0 289.467 2.759 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2ccc(F)cc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925476262 648178307 /nfs/dbraw/zinc/17/83/07/648178307.db2.gz HGUZMMPWUKAACN-KBMXLJTQSA-N 2 0 294.389 2.874 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925475396 648178500 /nfs/dbraw/zinc/17/85/00/648178500.db2.gz MNNNLZAVZBLTOE-IAGOWNOFSA-N 2 0 288.435 2.973 20 0 CFADRP CCOCCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925480403 648180401 /nfs/dbraw/zinc/18/04/01/648180401.db2.gz LXFKJWDKVGFOEM-HOTGVXAUSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCSC(F)(F)F)C1 ZINC000925484249 648180893 /nfs/dbraw/zinc/18/08/93/648180893.db2.gz DAVSWMYXMVCDPO-IUCAKERBSA-N 2 0 270.364 2.735 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925501898 648186754 /nfs/dbraw/zinc/18/67/54/648186754.db2.gz FEUVCPAZYQWBBS-HZSPNIEDSA-N 2 0 268.445 2.558 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504961 648188870 /nfs/dbraw/zinc/18/88/70/648188870.db2.gz OUZQWGKSHCBSBZ-KFWWJZLASA-N 3 0 283.504 2.848 20 0 CFADRP c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925505789 648189066 /nfs/dbraw/zinc/18/90/66/648189066.db2.gz WKXWDIBBXBSJEG-SJORKVTESA-N 2 0 258.409 2.945 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925521558 648197453 /nfs/dbraw/zinc/19/74/53/648197453.db2.gz VOGRQKIENIFQAX-UONOGXRCSA-N 2 0 256.434 2.545 20 0 CFADRP c1ccc([C@@H](C[NH+]2CCCC2)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925521713 648197457 /nfs/dbraw/zinc/19/74/57/648197457.db2.gz ZWOBHLFVDABTHZ-QZTJIDSGSA-N 2 0 299.462 2.698 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)c[nH]c21 ZINC000925521030 648197576 /nfs/dbraw/zinc/19/75/76/648197576.db2.gz ILWXXPBIPATOPL-CVEARBPZSA-N 2 0 283.419 2.878 20 0 CFADRP CCCCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925523790 648198843 /nfs/dbraw/zinc/19/88/43/648198843.db2.gz ZTQJYCGKURNHDS-HOTGVXAUSA-N 2 0 268.445 2.561 20 0 CFADRP c1ccc(CCCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925524546 648199895 /nfs/dbraw/zinc/19/98/95/648199895.db2.gz VCFUITRWVKMFMW-NNPSNHGLSA-N 2 0 270.420 2.595 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925524198 648199897 /nfs/dbraw/zinc/19/98/97/648199897.db2.gz QYORTFOURKLGHP-WUHRBBMRSA-N 2 0 256.459 2.766 20 0 CFADRP CCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925526662 648200424 /nfs/dbraw/zinc/20/04/24/648200424.db2.gz JPMNHUGQDLSZTL-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(-n2cccn2)cc1 ZINC000925527734 648201312 /nfs/dbraw/zinc/20/13/12/648201312.db2.gz QEUAYOPUZBFUKD-IAOVAPTHSA-N 2 0 296.418 2.793 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925528910 648201707 /nfs/dbraw/zinc/20/17/07/648201707.db2.gz BOWSIFGYXPEOHM-JHJVBQTASA-N 2 0 256.459 2.781 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2ccccc2)CC1 ZINC000925531792 648203306 /nfs/dbraw/zinc/20/33/06/648203306.db2.gz ADCRIIOYNOVZKI-CBHXASLJSA-N 2 0 270.420 2.824 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2ccc(F)cc2F)C[C@@H]([NH3+])C1 ZINC000925531996 648203591 /nfs/dbraw/zinc/20/35/91/648203591.db2.gz UEHVPXDPHXDXOV-OLZOCXBDSA-N 2 0 298.377 2.839 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)COC1CCCC1 ZINC000925533129 648204495 /nfs/dbraw/zinc/20/44/95/648204495.db2.gz YKZUHLAWPNNMTM-HNNXBMFYSA-N 2 0 266.429 2.600 20 0 CFADRP c1ccc(NCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925538085 648206724 /nfs/dbraw/zinc/20/67/24/648206724.db2.gz QTBBUXPYRLOIHK-MSOLQXFVSA-N 2 0 287.451 2.856 20 0 CFADRP CN(C)c1ncccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925545832 648210020 /nfs/dbraw/zinc/21/00/20/648210020.db2.gz LCVXEFOQRRPKFM-QGZVFWFLSA-N 2 0 298.434 2.717 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)c[nH]c2c1 ZINC000925544916 648210679 /nfs/dbraw/zinc/21/06/79/648210679.db2.gz BNNQHJDYSFEZDV-IAGOWNOFSA-N 2 0 283.419 2.878 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925554853 648214214 /nfs/dbraw/zinc/21/42/14/648214214.db2.gz DJGAUBXNVOHOFH-PDIWDZPMSA-N 2 0 292.467 2.533 20 0 CFADRP c1[nH]c2ccccc2c1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925557843 648215804 /nfs/dbraw/zinc/21/58/04/648215804.db2.gz QUEWHHOTGOEQKR-WMRANVBESA-N 2 0 295.430 2.687 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C12CCC2 ZINC000925561503 648217378 /nfs/dbraw/zinc/21/73/78/648217378.db2.gz JYWITTXPCSCMCO-CABCVRRESA-N 2 0 274.383 2.717 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCc2ccccc2OC2CCC2)C12CCC2 ZINC000925568363 648222133 /nfs/dbraw/zinc/22/21/33/648222133.db2.gz KDYKAMZFOOIZKX-IAGOWNOFSA-N 2 0 286.419 2.977 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925572720 648223636 /nfs/dbraw/zinc/22/36/36/648223636.db2.gz NLJGSIBDXQQOKX-BPUTZDHNSA-N 2 0 282.472 2.541 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925581345 648226284 /nfs/dbraw/zinc/22/62/84/648226284.db2.gz XKWMJNBLFDZOGY-HUUCEWRRSA-N 2 0 250.430 2.935 20 0 CFADRP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCCC1 ZINC000925581415 648226552 /nfs/dbraw/zinc/22/65/52/648226552.db2.gz ZDXWZBOAEHOIKY-SJORKVTESA-N 2 0 294.483 2.687 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2cccc(Cl)c2)C12CCC2 ZINC000925582642 648226739 /nfs/dbraw/zinc/22/67/39/648226739.db2.gz BQCBNMHTQYEIIV-KGLIPLIRSA-N 2 0 280.799 2.578 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C12CCC2 ZINC000925584835 648227835 /nfs/dbraw/zinc/22/78/35/648227835.db2.gz DRYSPOMOLGVMQQ-KFWWJZLASA-N 2 0 260.356 2.673 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000925587171 648228368 /nfs/dbraw/zinc/22/83/68/648228368.db2.gz GPOZMIWGBWOQHP-TWMKSMIVSA-N 2 0 282.472 2.615 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925586601 648228713 /nfs/dbraw/zinc/22/87/13/648228713.db2.gz ZWVYCQIZEIZKDL-HOTGVXAUSA-N 2 0 258.409 2.705 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925587462 648229158 /nfs/dbraw/zinc/22/91/58/648229158.db2.gz ZQGZVIXIPWQMLG-DAXOMENPSA-N 2 0 250.430 2.790 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC000925601713 648235253 /nfs/dbraw/zinc/23/52/53/648235253.db2.gz NCGHJDKKCOLWRW-KBPBESRZSA-N 2 0 268.445 2.831 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOC2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925602379 648235477 /nfs/dbraw/zinc/23/54/77/648235477.db2.gz UXEXJNYULLXCMM-OWCLPIDISA-N 2 0 280.456 2.702 20 0 CFADRP Cc1noc(C)c1[C@H](C)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925604924 648236010 /nfs/dbraw/zinc/23/60/10/648236010.db2.gz BTDXKDLXRUASBW-BXUZGUMPSA-N 2 0 277.412 2.659 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925604148 648236499 /nfs/dbraw/zinc/23/64/99/648236499.db2.gz IHHOVBADICZMOV-XDNAFOTISA-N 2 0 294.483 2.805 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000925603936 648236684 /nfs/dbraw/zinc/23/66/84/648236684.db2.gz GLLOVZBGHJHKLC-UWVGGRQHSA-N 2 0 252.324 2.825 20 0 CFADRP c1coc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925612231 648238653 /nfs/dbraw/zinc/23/86/53/648238653.db2.gz PWGQRXKDCRVUFF-HOTGVXAUSA-N 2 0 262.397 2.580 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925614785 648240056 /nfs/dbraw/zinc/24/00/56/648240056.db2.gz KRWDVYXMHCUQDJ-YJNKXOJESA-N 2 0 268.445 2.686 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925613981 648240286 /nfs/dbraw/zinc/24/02/86/648240286.db2.gz GOAYRYFZGAYQRT-HOTGVXAUSA-N 2 0 282.472 2.543 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925617709 648241861 /nfs/dbraw/zinc/24/18/61/648241861.db2.gz RCRDBSGEIXOVKN-CVEARBPZSA-N 2 0 280.456 2.561 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOc1ccccc1Cl ZINC000925621298 648243807 /nfs/dbraw/zinc/24/38/07/648243807.db2.gz GWOVGTZNGGBMBK-ZAQWFSBCSA-N 2 0 294.826 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1cccc(F)c1 ZINC000925621283 648244293 /nfs/dbraw/zinc/24/42/93/648244293.db2.gz ZXCRXXAUVPDGOP-AEAUEXCSSA-N 2 0 294.414 2.743 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925622667 648244788 /nfs/dbraw/zinc/24/47/88/648244788.db2.gz MIQTXOPYQVSUGU-AESZEHBQSA-N 2 0 282.472 2.540 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000925623796 648245312 /nfs/dbraw/zinc/24/53/12/648245312.db2.gz STJFXAGALPOJQH-HRCADAONSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925626297 648246256 /nfs/dbraw/zinc/24/62/56/648246256.db2.gz PNRSLUYYAWLDHC-GUYCJALGSA-N 2 0 276.424 2.560 20 0 CFADRP CCCCn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(C)n1 ZINC000925630831 648249975 /nfs/dbraw/zinc/24/99/75/648249975.db2.gz QNPVNRATNYJSTO-JKSUJKDBSA-N 2 0 292.471 2.987 20 0 CFADRP FC1(F)CCC([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925632063 648250582 /nfs/dbraw/zinc/25/05/82/648250582.db2.gz ZKNBTTRNBUUKGD-LBPRGKRZSA-N 2 0 258.356 2.829 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cn[nH]c1 ZINC000925634829 648252718 /nfs/dbraw/zinc/25/27/18/648252718.db2.gz LMVLUHSDHZXPEC-QWHCGFSZSA-N 2 0 272.396 2.883 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000925636380 648253583 /nfs/dbraw/zinc/25/35/83/648253583.db2.gz BUJXKHTVKTZMDZ-XYJFISCASA-N 2 0 289.467 2.929 20 0 CFADRP C[C@@H](CCO)C1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925635126 648253636 /nfs/dbraw/zinc/25/36/36/648253636.db2.gz MMEFHWCRFDFUGT-FZKCQIBNSA-N 2 0 294.483 2.541 20 0 CFADRP Fc1cccc(NCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925637587 648255177 /nfs/dbraw/zinc/25/51/77/648255177.db2.gz ODQKNASPFQLYRJ-INIZCTEOSA-N 2 0 291.414 2.892 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C[C@@H]1CCCCO1 ZINC000925638994 648256232 /nfs/dbraw/zinc/25/62/32/648256232.db2.gz ICICEMXKFLLTAZ-LSDHHAIUSA-N 2 0 266.429 2.600 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925650471 648261106 /nfs/dbraw/zinc/26/11/06/648261106.db2.gz OTKCCMKNBIXOLC-KQAFNVIJSA-N 2 0 276.346 2.694 20 0 CFADRP CCOC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925650863 648261114 /nfs/dbraw/zinc/26/11/14/648261114.db2.gz ZPDRSFLZUGSJCY-MCIONIFRSA-N 2 0 256.434 2.543 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925650414 648261779 /nfs/dbraw/zinc/26/17/79/648261779.db2.gz UVZPVACRJWJJNI-CVEARBPZSA-N 2 0 282.472 2.686 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655201 648265455 /nfs/dbraw/zinc/26/54/55/648265455.db2.gz QZPPPTWQBDLELD-WCXIOVBPSA-N 2 0 294.483 2.541 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000925673827 648274326 /nfs/dbraw/zinc/27/43/26/648274326.db2.gz OWECYSJMMCWSEK-HZPDHXFCSA-N 2 0 258.409 2.910 20 0 CFADRP COCC1(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925678713 648276164 /nfs/dbraw/zinc/27/61/64/648276164.db2.gz WXOWVMIJYLEEMY-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)OC ZINC000925681692 648277217 /nfs/dbraw/zinc/27/72/17/648277217.db2.gz WZSBBCJTJZUPMM-PMPSAXMXSA-N 2 0 268.445 2.559 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925683942 648278415 /nfs/dbraw/zinc/27/84/15/648278415.db2.gz BPZUDSLDWXOAIL-MSOLQXFVSA-N 2 0 294.483 2.951 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925685839 648279363 /nfs/dbraw/zinc/27/93/63/648279363.db2.gz OWSUVPZSWNLQNX-DLBZAZTESA-N 2 0 293.499 2.619 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1 ZINC000925687361 648280110 /nfs/dbraw/zinc/28/01/10/648280110.db2.gz JKWNUJXEBBSBQQ-NVXWUHKLSA-N 2 0 276.424 2.873 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000925693695 648282727 /nfs/dbraw/zinc/28/27/27/648282727.db2.gz QQXGUNZPJKLNHO-MWDXBVQZSA-N 2 0 262.441 2.790 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925692875 648283019 /nfs/dbraw/zinc/28/30/19/648283019.db2.gz RRSDVSKAGIPHOA-BPUTZDHNSA-N 2 0 274.408 2.529 20 0 CFADRP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)CC(F)(F)F ZINC000925694203 648283798 /nfs/dbraw/zinc/28/37/98/648283798.db2.gz FJPVJXTYFHQYEF-NXEZZACHSA-N 2 0 252.324 2.695 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000925700202 648285586 /nfs/dbraw/zinc/28/55/86/648285586.db2.gz NOEUKFBYRNXNBB-OVYGPGRDSA-N 2 0 280.456 2.546 20 0 CFADRP C[C@H]1CC[C@@](C)(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1(C)C ZINC000925704426 648287056 /nfs/dbraw/zinc/28/70/56/648287056.db2.gz GZXQJWGSCUAZKV-OEODGGQDSA-N 2 0 294.483 2.791 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925704634 648287554 /nfs/dbraw/zinc/28/75/54/648287554.db2.gz ZIOISHRCCFPDTF-FHLIZLRMSA-N 2 0 288.435 2.701 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925708880 648289816 /nfs/dbraw/zinc/28/98/16/648289816.db2.gz SWNHOMZLHGWKLH-PMRHUDFBSA-N 2 0 288.410 2.651 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925709738 648290556 /nfs/dbraw/zinc/29/05/56/648290556.db2.gz VICJABDFTGTROV-ARFHVFGLSA-N 2 0 281.488 2.602 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2noc3ccccc23)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925711207 648291960 /nfs/dbraw/zinc/29/19/60/648291960.db2.gz DXLSSNDGFZQPML-XOKHGSTOSA-N 2 0 299.418 2.737 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccn1 ZINC000925714483 648294270 /nfs/dbraw/zinc/29/42/70/648294270.db2.gz RMDINXPFWKQDOD-UWWQBHOKSA-N 2 0 287.451 2.943 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1C ZINC000925715905 648295170 /nfs/dbraw/zinc/29/51/70/648295170.db2.gz KDTMFYJDEWQNOB-HYVNUMGLSA-N 2 0 288.435 2.870 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925721804 648298331 /nfs/dbraw/zinc/29/83/31/648298331.db2.gz QSELRLQAIJLERL-WYUUTHIRSA-N 2 0 291.266 2.937 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CC1(C)C ZINC000925734302 648303055 /nfs/dbraw/zinc/30/30/55/648303055.db2.gz QECMRQGZRPBDIP-ZBEGNZNMSA-N 2 0 261.413 2.936 20 0 CFADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000925737129 648304280 /nfs/dbraw/zinc/30/42/80/648304280.db2.gz GCWCLWXKHZPVLF-AWEZNQCLSA-N 2 0 278.396 2.641 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccnn1-c1ccccc1 ZINC000925738604 648304631 /nfs/dbraw/zinc/30/46/31/648304631.db2.gz QTSFVBPDBJZKKH-CYBMUJFWSA-N 2 0 272.396 2.650 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925737788 648304677 /nfs/dbraw/zinc/30/46/77/648304677.db2.gz LGLJUPRFHCHGQI-AWEZNQCLSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000925740688 648305390 /nfs/dbraw/zinc/30/53/90/648305390.db2.gz JTKJRNLOPWEUDA-ZDUSSCGKSA-N 2 0 289.423 2.591 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)[C@@H]1OC ZINC000925740655 648305758 /nfs/dbraw/zinc/30/57/58/648305758.db2.gz KKRZJZDGEVEDCF-UPJWGTAASA-N 2 0 256.434 2.543 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925739650 648305852 /nfs/dbraw/zinc/30/58/52/648305852.db2.gz BUVKMNRQFRUWAQ-AWEZNQCLSA-N 2 0 262.397 2.926 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000925756610 648308195 /nfs/dbraw/zinc/30/81/95/648308195.db2.gz MPFYRDYGKVSAIO-ZIAGYGMSSA-N 2 0 268.445 2.783 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000925756835 648310298 /nfs/dbraw/zinc/31/02/98/648310298.db2.gz AOHGFUFWMHBTIT-AWEZNQCLSA-N 2 0 299.422 2.532 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000925758693 648310746 /nfs/dbraw/zinc/31/07/46/648310746.db2.gz GNPRVYXGMALPFO-CYBMUJFWSA-N 2 0 274.408 2.886 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000925760041 648311680 /nfs/dbraw/zinc/31/16/80/648311680.db2.gz NNVGACCZZCOWOQ-ZIAGYGMSSA-N 2 0 268.445 2.782 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925766393 648312519 /nfs/dbraw/zinc/31/25/19/648312519.db2.gz JRVQJNFFLPGEAH-PVAVHDDUSA-N 2 0 260.425 2.841 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC2(CCC2)CO1 ZINC000925775093 648317237 /nfs/dbraw/zinc/31/72/37/648317237.db2.gz OBIYBKHSHVGTAG-LTIDMASMSA-N 2 0 292.467 2.846 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925776037 648319335 /nfs/dbraw/zinc/31/93/35/648319335.db2.gz UYNOOBLMTNDPND-QSFKDOLUSA-N 2 0 292.467 2.831 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779817 648319860 /nfs/dbraw/zinc/31/98/60/648319860.db2.gz BWHKDOXIKSPBPQ-XQHKEYJVSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000925779519 648320006 /nfs/dbraw/zinc/32/00/06/648320006.db2.gz OLBWOKRBNYYEBC-QWRGUYRKSA-N 2 0 274.380 2.952 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925782626 648320959 /nfs/dbraw/zinc/32/09/59/648320959.db2.gz ACGQPFFZLHSEHN-BZPMIXESSA-N 2 0 282.378 2.731 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925782630 648321842 /nfs/dbraw/zinc/32/18/42/648321842.db2.gz ACGQPFFZLHSEHN-DYEKYZERSA-N 2 0 282.378 2.731 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925790843 648324160 /nfs/dbraw/zinc/32/41/60/648324160.db2.gz LGQUGECJJXZBPN-IPYPFGDCSA-N 2 0 262.397 2.591 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925793647 648325298 /nfs/dbraw/zinc/32/52/98/648325298.db2.gz ZQQOHGSXNDSTBS-WOPDTQHZSA-N 2 0 252.427 2.817 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925799167 648327582 /nfs/dbraw/zinc/32/75/82/648327582.db2.gz MUOJSSVIICVLFE-YRGRVCCFSA-N 2 0 250.361 2.722 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000925803739 648328068 /nfs/dbraw/zinc/32/80/68/648328068.db2.gz UDFQELIDBOOBBL-KFNAQCHYSA-N 2 0 277.387 2.507 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802263 648328175 /nfs/dbraw/zinc/32/81/75/648328175.db2.gz ZWOXCFCRKBFGLS-FRRDWIJNSA-N 2 0 252.427 2.514 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000925807118 648328758 /nfs/dbraw/zinc/32/87/58/648328758.db2.gz INEGAVYCKYRQQO-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH2+]CCC1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925805018 648328787 /nfs/dbraw/zinc/32/87/87/648328787.db2.gz PIHVJOOBLYNNSZ-HOCLYGCPSA-N 2 0 258.409 2.838 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2(c3ccccc3)CC2)C1 ZINC000925804603 648329086 /nfs/dbraw/zinc/32/90/86/648329086.db2.gz KGOXTXNTRSKDBQ-HOTGVXAUSA-N 2 0 258.409 2.968 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H](C)O1 ZINC000925806377 648329373 /nfs/dbraw/zinc/32/93/73/648329373.db2.gz CNNXYMXCBDREKH-IJEWVQPXSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)CCO1 ZINC000925809112 648330826 /nfs/dbraw/zinc/33/08/26/648330826.db2.gz SHUBJSVJCJFPFD-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814292 648331659 /nfs/dbraw/zinc/33/16/59/648331659.db2.gz KEDIBANBEOHSFB-WMLDXEAASA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1cc(N(C)C)cc[nH+]1 ZINC000925813339 648331780 /nfs/dbraw/zinc/33/17/80/648331780.db2.gz SLRBEERCODGJJD-GJZGRUSLSA-N 2 0 290.455 2.548 20 0 CFADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815114 648332274 /nfs/dbraw/zinc/33/22/74/648332274.db2.gz OELVJQLHPJDJPP-WBVHZDCISA-N 2 0 281.488 2.604 20 0 CFADRP CCOC[C@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925817157 648333076 /nfs/dbraw/zinc/33/30/76/648333076.db2.gz MRIILBIPHZWJLS-AWEZNQCLSA-N 2 0 256.434 2.561 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925820464 648333708 /nfs/dbraw/zinc/33/37/08/648333708.db2.gz CSZIEKUDGBUVKR-PBHCIXSXSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@@H](COCC1CCCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925826078 648335430 /nfs/dbraw/zinc/33/54/30/648335430.db2.gz JMKROWCDVFTUEF-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1CC=CC1 ZINC000925831249 648336169 /nfs/dbraw/zinc/33/61/69/648336169.db2.gz IKHDJZIETGEFDO-WMLDXEAASA-N 2 0 258.409 2.891 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925832476 648337385 /nfs/dbraw/zinc/33/73/85/648337385.db2.gz WRUULMRFRIJILR-RNJOBUHISA-N 2 0 294.361 2.594 20 0 CFADRP c1ccc([C@@H]2C[C@H](NC[C@]34CCC[C@H]3[NH2+]CC4)CC[NH2+]2)cc1 ZINC000925837263 648339159 /nfs/dbraw/zinc/33/91/59/648339159.db2.gz DKHTXTRUZIDPRX-FCGDIQPGSA-N 2 0 299.462 2.602 20 0 CFADRP Cc1nc([C@@H](C)NC[C@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000925839605 648340116 /nfs/dbraw/zinc/34/01/16/648340116.db2.gz HYFZQFRYDWFAKS-LERXQTSPSA-N 2 0 265.426 2.634 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000925839920 648340353 /nfs/dbraw/zinc/34/03/53/648340353.db2.gz SMWCDZLXXBUFHM-KZNAEPCWSA-N 2 0 287.451 2.588 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccsc1 ZINC000925842354 648342307 /nfs/dbraw/zinc/34/23/07/648342307.db2.gz JEYVAGPTMKVXKY-IACUBPJLSA-N 2 0 250.411 2.931 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844660 648342321 /nfs/dbraw/zinc/34/23/21/648342321.db2.gz ZJXWRBJBJCNFSR-FVQBIDKESA-N 2 0 262.397 2.723 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925861474 648347768 /nfs/dbraw/zinc/34/77/68/648347768.db2.gz QFUNBAIHMGQDMO-MGPQQGTHSA-N 2 0 268.470 2.782 20 0 CFADRP Cc1cc(F)c(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c(F)c1 ZINC000925873997 648351950 /nfs/dbraw/zinc/35/19/50/648351950.db2.gz FSKNXFNZFYJZHX-XHDPSFHLSA-N 2 0 268.351 2.751 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925874952 648352335 /nfs/dbraw/zinc/35/23/35/648352335.db2.gz ADPLUUMXEBZDPJ-UNEWFSDZSA-N 2 0 298.434 2.959 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)c1OC ZINC000925877381 648353150 /nfs/dbraw/zinc/35/31/50/648353150.db2.gz QHIZYYWWXGJNQS-DZGCQCFKSA-N 2 0 292.423 2.619 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000925877918 648353183 /nfs/dbraw/zinc/35/31/83/648353183.db2.gz YHQBZZGDTARDDG-UMNHJUIQSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883089 648354676 /nfs/dbraw/zinc/35/46/76/648354676.db2.gz UKOJHFGLJSKYRT-MXWKQRLJSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925887698 648356135 /nfs/dbraw/zinc/35/61/35/648356135.db2.gz KJYFDKRLMIYTSA-DZUCGIPZSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccncc1 ZINC000925887204 648356197 /nfs/dbraw/zinc/35/61/97/648356197.db2.gz VBISTRCBJKSMMC-OLMNPRSZSA-N 2 0 281.403 2.791 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925991757 648380265 /nfs/dbraw/zinc/38/02/65/648380265.db2.gz FHLGXFOGWDBAIO-IRXDYDNUSA-N 2 0 297.406 2.696 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926113516 648407534 /nfs/dbraw/zinc/40/75/34/648407534.db2.gz GTDNORGPTQNAMQ-HOCLYGCPSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926142250 648415621 /nfs/dbraw/zinc/41/56/21/648415621.db2.gz OLHMTSXFBNHSCL-CABCVRRESA-N 2 0 276.424 2.825 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000926231171 648442603 /nfs/dbraw/zinc/44/26/03/648442603.db2.gz AUFWHSRFZQZBTM-LPQCKEBISA-N 2 0 290.382 2.579 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926257381 648449819 /nfs/dbraw/zinc/44/98/19/648449819.db2.gz DLSZCAQQGPCBBP-GRDNDAEWSA-N 2 0 276.424 2.560 20 0 CFADRP CC(C)(C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000926276319 648453527 /nfs/dbraw/zinc/45/35/27/648453527.db2.gz VZGWIBIUWKIKNK-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308744 648460003 /nfs/dbraw/zinc/46/00/03/648460003.db2.gz PHPBCYRLXUWYCY-AEFFLSMTSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cccc(C[NH+](C)C)c1 ZINC000926450585 648492195 /nfs/dbraw/zinc/49/21/95/648492195.db2.gz PCOGXOXCAWMPNV-CJNGLKHVSA-N 2 0 298.434 2.679 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)OC ZINC000926460998 648496665 /nfs/dbraw/zinc/49/66/65/648496665.db2.gz HSOYNQFQMYPOPQ-BBRMVZONSA-N 2 0 264.413 2.824 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000926486866 648505792 /nfs/dbraw/zinc/50/57/92/648505792.db2.gz KZZWZARJDMTZSA-MRXNPFEDSA-N 2 0 275.440 2.868 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1(Br)CC1 ZINC000926543691 648526810 /nfs/dbraw/zinc/52/68/10/648526810.db2.gz XDPLERCYEMBDCA-YEJSDXFRSA-N 2 0 287.245 2.517 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OC)n1 ZINC000926572920 648538250 /nfs/dbraw/zinc/53/82/50/648538250.db2.gz IMUZDXYSTBEQNM-CABCVRRESA-N 2 0 291.439 2.863 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000926573553 648539572 /nfs/dbraw/zinc/53/95/72/648539572.db2.gz NLIPARLWVSVJBL-ZIAGYGMSSA-N 2 0 290.407 2.798 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000926603369 648549443 /nfs/dbraw/zinc/54/94/43/648549443.db2.gz DRVYIBACGMRDJO-UYSNPLJNSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000926605577 648550599 /nfs/dbraw/zinc/55/05/99/648550599.db2.gz FTDGOIBFILPLAI-ZGRYLRDCSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926639389 648558317 /nfs/dbraw/zinc/55/83/17/648558317.db2.gz RHLMUQRCBMQFNC-WWGRRREGSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926639387 648558575 /nfs/dbraw/zinc/55/85/75/648558575.db2.gz RHLMUQRCBMQFNC-DVOMOZLQSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@H]1CC[C@H](C)C1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926677005 648571188 /nfs/dbraw/zinc/57/11/88/648571188.db2.gz NFCWOJFRDUAGFW-GJZGRUSLSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc[nH]c(=O)c1 ZINC000926739779 648597385 /nfs/dbraw/zinc/59/73/85/648597385.db2.gz ZCBSCVCMAMVTSM-DZGCQCFKSA-N 2 0 289.423 2.560 20 0 CFADRP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926752034 648601146 /nfs/dbraw/zinc/60/11/46/648601146.db2.gz CHTNECTYPUAOEY-KRWDZBQOSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccns1 ZINC000926755778 648603314 /nfs/dbraw/zinc/60/33/14/648603314.db2.gz ZTXXWQJRTHZVMW-NWDGAFQWSA-N 2 0 253.415 2.526 20 0 CFADRP COCC1CC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926807544 648623407 /nfs/dbraw/zinc/62/34/07/648623407.db2.gz CFFZBLIYIRCKFF-BZOOQXSSSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccnn1C ZINC000926813845 648625902 /nfs/dbraw/zinc/62/59/02/648625902.db2.gz VDUIMDRPWUBRBY-KBPBESRZSA-N 2 0 286.423 2.894 20 0 CFADRP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000926960874 648672319 /nfs/dbraw/zinc/67/23/19/648672319.db2.gz RCDUORQAFVXXBG-BFYDXBDKSA-N 2 0 273.424 2.661 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCS1 ZINC000927029918 648688767 /nfs/dbraw/zinc/68/87/67/648688767.db2.gz QXLOKBSJGYHOLD-UXXRCYHCSA-N 2 0 268.470 2.733 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000927036892 648689711 /nfs/dbraw/zinc/68/97/11/648689711.db2.gz HFZAFQNLDUOZDD-SLTAFYQDSA-N 2 0 268.470 2.879 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CCC[NH+]2C)C1 ZINC000929643703 649085566 /nfs/dbraw/zinc/08/55/66/649085566.db2.gz IZPOXPIVVMPBKW-RCCFBDPRSA-N 2 0 293.499 2.667 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000929687532 649097036 /nfs/dbraw/zinc/09/70/36/649097036.db2.gz MNPYYUMRSQADOF-DLBZAZTESA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccncc2)[C@@H](C)C1 ZINC000929999009 649162560 /nfs/dbraw/zinc/16/25/60/649162560.db2.gz HTHNANHZSLLEDV-HOCLYGCPSA-N 2 0 293.480 2.836 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSc2ccncc2)[C@H](C)C1 ZINC000929999010 649162637 /nfs/dbraw/zinc/16/26/37/649162637.db2.gz HTHNANHZSLLEDV-ZBFHGGJFSA-N 2 0 293.480 2.836 20 0 CFADRP Cc1nccn1CCCN(C)Cc1coc(C(C)(C)C)n1 ZINC000930060260 649175562 /nfs/dbraw/zinc/17/55/62/649175562.db2.gz KUAPJQIKLXCXLL-UHFFFAOYSA-N 2 0 290.411 2.999 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](CCCC(C)(F)F)CC1 ZINC000930294932 649224362 /nfs/dbraw/zinc/22/43/62/649224362.db2.gz AKXFVWAQMOHPGN-UHFFFAOYSA-N 2 0 299.365 2.648 20 0 CFADRP CCc1ncc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000930310389 649228082 /nfs/dbraw/zinc/22/80/82/649228082.db2.gz WMMPZUDRIJWPBE-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000930576777 649278405 /nfs/dbraw/zinc/27/84/05/649278405.db2.gz NKRWMCLLSHJIIK-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP CCCC[N@H+](C[C@H](C)O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034442 649367843 /nfs/dbraw/zinc/36/78/43/649367843.db2.gz SSZGKGKBEJJOAF-ZDUSSCGKSA-N 2 0 270.461 2.779 20 0 CFADRP CN(C)[C@@H]1[C@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]21 ZINC000931278093 649400461 /nfs/dbraw/zinc/40/04/61/649400461.db2.gz XILKCQMZSMCPQP-ZJUNUNPCSA-N 2 0 256.393 2.582 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931284867 649401228 /nfs/dbraw/zinc/40/12/28/649401228.db2.gz BHCHDGYWKBLBSJ-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cccc(OCCN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000931308411 649405109 /nfs/dbraw/zinc/40/51/09/649405109.db2.gz NOPROPJCQRSAPR-QZTJIDSGSA-N 2 0 288.435 2.647 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4cccnc43)C[C@@H]2C1 ZINC000931433256 649425404 /nfs/dbraw/zinc/42/54/04/649425404.db2.gz VCJYYYIAYNFASG-WBVHZDCISA-N 2 0 281.403 2.618 20 0 CFADRP Cc1cc(C)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000931432552 649425605 /nfs/dbraw/zinc/42/56/05/649425605.db2.gz UZRPCRDUDLXCMH-SJORKVTESA-N 2 0 258.409 2.687 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441458 649427744 /nfs/dbraw/zinc/42/77/44/649427744.db2.gz IZSRJCVIAFTKFX-RWMBFGLXSA-N 2 0 260.372 2.551 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)o3)C[C@@H]2C1 ZINC000931441067 649427846 /nfs/dbraw/zinc/42/78/46/649427846.db2.gz BIWXDLYKPXYPID-CVEARBPZSA-N 2 0 297.402 2.725 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000931463601 649433859 /nfs/dbraw/zinc/43/38/59/649433859.db2.gz FZZFILXYLUMULU-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP Cc1ccc(C)c(OCCN2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931513143 649444314 /nfs/dbraw/zinc/44/43/14/649444314.db2.gz XMBQUYIFXHGNHP-UHFFFAOYSA-N 2 0 297.402 2.718 20 0 CFADRP CCc1ncc(C[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000931703802 649475665 /nfs/dbraw/zinc/47/56/65/649475665.db2.gz MTJDXTARUDDSSO-UHFFFAOYSA-N 2 0 279.428 2.935 20 0 CFADRP Cc1cc(C)nc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC000931765570 649485960 /nfs/dbraw/zinc/48/59/60/649485960.db2.gz YJIJANYFFSKEID-INIZCTEOSA-N 2 0 296.418 2.804 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932197228 649562513 /nfs/dbraw/zinc/56/25/13/649562513.db2.gz DTBXBWDLQYYEIN-GJZGRUSLSA-N 2 0 293.480 2.882 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCCCOc3ccccc3)C[C@]2(C)C1 ZINC000933739642 649718247 /nfs/dbraw/zinc/71/82/47/649718247.db2.gz AXDJVDFMLKBFQY-AEFFLSMTSA-N 2 0 288.435 2.729 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934336043 649775777 /nfs/dbraw/zinc/77/57/77/649775777.db2.gz XFQRPLXYICXGFV-CABCVRRESA-N 2 0 293.480 2.882 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934775810 649829520 /nfs/dbraw/zinc/82/95/20/649829520.db2.gz OTTLQVLQXCXEAV-ILXRZTDVSA-N 2 0 268.470 2.546 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837508 649838567 /nfs/dbraw/zinc/83/85/67/649838567.db2.gz JDHPQBQTGQGPPZ-SJORKVTESA-N 2 0 282.472 2.857 20 0 CFADRP Cc1cc(C)[nH+]c(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164766312 721279372 /nfs/dbraw/zinc/27/93/72/721279372.db2.gz COJTXYTTYAUVAK-UHFFFAOYSA-N 2 0 271.408 2.621 20 0 CFADRP CC[NH+](CC)C1CCN(c2cc(-n3ccnc3)cc[nH+]2)CC1 ZINC001165054143 722006819 /nfs/dbraw/zinc/00/68/19/722006819.db2.gz JXZIYGTUAODKQG-UHFFFAOYSA-N 2 0 299.422 2.578 20 0 CFADRP Nc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)ccc1F ZINC001243456959 782208581 /nfs/dbraw/zinc/20/85/81/782208581.db2.gz WGKPPZVCTBQZAB-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP Cc1[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)cc2[nH]ccc21 ZINC001155118905 782218693 /nfs/dbraw/zinc/21/86/93/782218693.db2.gz MUJGROFXEJAPMH-OAHLLOKOSA-N 2 0 276.359 2.765 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000723674877 770648260 /nfs/dbraw/zinc/64/82/60/770648260.db2.gz FIYXMCCPWSXERB-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP C[NH+](C)CC(C)(C)CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371899 778795544 /nfs/dbraw/zinc/79/55/44/778795544.db2.gz ODBORPPCULSMRZ-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235821074 778566784 /nfs/dbraw/zinc/56/67/84/778566784.db2.gz ZPYGEBBSYBGZEA-UONOGXRCSA-N 2 0 258.409 2.953 20 0 CFADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001208113417 769853689 /nfs/dbraw/zinc/85/36/89/769853689.db2.gz ILWMAUCBIORCOK-GJZGRUSLSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@H](CN2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC001208612352 769910987 /nfs/dbraw/zinc/91/09/87/769910987.db2.gz MVZGFGMXFVUFEV-JYJNAYRXSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H](CC[N@H+](C)CCN1CC[NH+](C)CC1)CC(C)(C)C ZINC001208662792 769918103 /nfs/dbraw/zinc/91/81/03/769918103.db2.gz FAFULXALWAHCAA-INIZCTEOSA-N 2 0 283.504 2.628 20 0 CFADRP C[NH2+]Cc1cn(-c2ncc(C)cc2C[NH3+])c2ccc(C)cc12 ZINC001167124016 770058522 /nfs/dbraw/zinc/05/85/22/770058522.db2.gz QVYUTIYFNWAMDY-UHFFFAOYSA-N 2 0 294.402 2.820 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(N[C@H]2CC[NH+](C)C2)nc1 ZINC001167273252 770195138 /nfs/dbraw/zinc/19/51/38/770195138.db2.gz ZSHRIHPYQIFPMI-HOCLYGCPSA-N 2 0 288.439 2.572 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc2c1OCC2 ZINC000693173856 770310088 /nfs/dbraw/zinc/31/00/88/770310088.db2.gz KDQLWHDWUDINHG-UHFFFAOYSA-N 2 0 276.424 2.832 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723617568 770619641 /nfs/dbraw/zinc/61/96/41/770619641.db2.gz CREMADMHGHYHPO-YQQAZPJKSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723618180 770620283 /nfs/dbraw/zinc/62/02/83/770620283.db2.gz HWMUSEMTUBEVNS-BZUAXINKSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723618127 770620338 /nfs/dbraw/zinc/62/03/38/770620338.db2.gz HRXUPCAWLQOHPX-WCXIOVBPSA-N 2 0 280.456 2.512 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000723672495 770647106 /nfs/dbraw/zinc/64/71/06/770647106.db2.gz OTYOOQOEUWTBSU-LBPRGKRZSA-N 2 0 268.401 2.589 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(Br)c1 ZINC000723675256 770648373 /nfs/dbraw/zinc/64/83/73/770648373.db2.gz VUFHBPJZXCHVGE-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691106 770650349 /nfs/dbraw/zinc/65/03/49/770650349.db2.gz HRWHQOKRKYYOKA-GHMZBOCLSA-N 2 0 254.324 2.697 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000723687917 770651100 /nfs/dbraw/zinc/65/11/00/770651100.db2.gz ZNJOWUBGWYCLKZ-ZDUSSCGKSA-N 2 0 271.364 2.512 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723694706 770652052 /nfs/dbraw/zinc/65/20/52/770652052.db2.gz GXHNRSHGUUZEPD-OAHLLOKOSA-N 2 0 262.397 2.646 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723887953 770706872 /nfs/dbraw/zinc/70/68/72/770706872.db2.gz UFNKDOHDEZWWRP-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)C[C@H]1CC[NH3+] ZINC000723892032 770708253 /nfs/dbraw/zinc/70/82/53/770708253.db2.gz SSLQLUUWEMEWDI-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccccc2Cl)C[C@H]1CC[NH3+] ZINC000723902208 770710225 /nfs/dbraw/zinc/71/02/25/770710225.db2.gz NPSKSTRYQOXVRE-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP C(C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000723964982 770722419 /nfs/dbraw/zinc/72/24/19/770722419.db2.gz MOYCPZSFZRXEIX-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000723977670 770732084 /nfs/dbraw/zinc/73/20/84/770732084.db2.gz MPEBTVDDZSTQCP-MWDXBVQZSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+](Cc1ccccc1Br)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693543359 770806996 /nfs/dbraw/zinc/80/69/96/770806996.db2.gz AWZXVZZZJAUZAK-KLPPZKSPSA-N 2 0 283.213 2.618 20 0 CFADRP C(CC1SCCS1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000693779075 773249095 /nfs/dbraw/zinc/24/90/95/773249095.db2.gz CPJDTGYYWPEONB-UPJWGTAASA-N 2 0 286.510 2.693 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000721550572 775151633 /nfs/dbraw/zinc/15/16/33/775151633.db2.gz PMAVKGZGJYGHBV-FMKPAKJESA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721552734 775157896 /nfs/dbraw/zinc/15/78/96/775157896.db2.gz BKOWTNBDTWJFNR-LSDHHAIUSA-N 2 0 270.461 2.900 20 0 CFADRP C[NH+]1CCC(COC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001224453436 775190521 /nfs/dbraw/zinc/19/05/21/775190521.db2.gz KMOVCNKXQUNBKI-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C12CCC2 ZINC000405230944 775197748 /nfs/dbraw/zinc/19/77/48/775197748.db2.gz ARXWBEQTFSTFIT-OLZOCXBDSA-N 2 0 295.224 2.809 20 0 CFADRP CSCCCCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405403604 775208145 /nfs/dbraw/zinc/20/81/45/775208145.db2.gz KYGMLTJGYJHDFD-STQMWFEESA-N 2 0 256.459 2.769 20 0 CFADRP C[NH+](C)CC[C@@H](OC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001224817767 775281057 /nfs/dbraw/zinc/28/10/57/775281057.db2.gz ZQKAJKRGVXGNOS-DLBZAZTESA-N 2 0 276.424 2.790 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217786537 775289995 /nfs/dbraw/zinc/28/99/95/775289995.db2.gz DEVFDSJGHVBYIJ-ZBFHGGJFSA-N 2 0 268.445 2.561 20 0 CFADRP CC[NH+](CC)C[C@H](C)OCCC[NH+]1CCCCC1 ZINC001224855076 775291566 /nfs/dbraw/zinc/29/15/66/775291566.db2.gz LKWNEHSCRJNLDP-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001207398214 775353240 /nfs/dbraw/zinc/35/32/40/775353240.db2.gz AALSGXCJBYJDAL-MRXNPFEDSA-N 2 0 273.424 2.603 20 0 CFADRP [NH3+]Cc1nn(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c2ccccc12 ZINC001167697935 775527704 /nfs/dbraw/zinc/52/77/04/775527704.db2.gz ISDUSLOBSFPCBZ-INIZCTEOSA-N 2 0 292.386 2.909 20 0 CFADRP Cc1cc(N2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc[nH+]1 ZINC001277064436 775558281 /nfs/dbraw/zinc/55/82/81/775558281.db2.gz KQMKFRHOKGNLBL-UHFFFAOYSA-N 2 0 296.418 2.821 20 0 CFADRP Cc1cc(N2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001277064242 775558993 /nfs/dbraw/zinc/55/89/93/775558993.db2.gz ICBZBRANCBYQNT-MRXNPFEDSA-N 2 0 259.397 2.702 20 0 CFADRP C(O[C@H]1CCC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21)C1CC1 ZINC001207437323 775662531 /nfs/dbraw/zinc/66/25/31/775662531.db2.gz SSIWPEXCAHHGST-SQNIBIBYSA-N 2 0 292.467 2.513 20 0 CFADRP C[NH2+]CCNc1cc(C[NH+]2CCCCC2)ccc1C ZINC001167725548 775823377 /nfs/dbraw/zinc/82/33/77/775823377.db2.gz DGBATNROEYWDJV-UHFFFAOYSA-N 2 0 261.413 2.612 20 0 CFADRP C[C@@H]1C[C@@H](C)N(Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000397370224 776010052 /nfs/dbraw/zinc/01/00/52/776010052.db2.gz GWUQUYVKBZITRF-WZRBSPASSA-N 2 0 267.804 2.540 20 0 CFADRP C[NH+](C)Cc1ccc(-c2c[nH+]ccc2N2CCOCC2)cc1 ZINC001204638782 776022950 /nfs/dbraw/zinc/02/29/50/776022950.db2.gz OVJXBQXGASLYIX-UHFFFAOYSA-N 2 0 297.402 2.647 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000709377945 776074767 /nfs/dbraw/zinc/07/47/67/776074767.db2.gz VKKLAZACIKZCDD-ZJUUUORDSA-N 2 0 258.818 2.674 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2c(c1)C[NH2+]C2 ZINC001167752013 776082691 /nfs/dbraw/zinc/08/26/91/776082691.db2.gz AWGRDLUWUCLGCU-AWEZNQCLSA-N 2 0 273.424 2.966 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000695882448 776085896 /nfs/dbraw/zinc/08/58/96/776085896.db2.gz IZQNHYJZBOJMRX-HOTGVXAUSA-N 2 0 278.440 2.912 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC(C)(C)[NH3+] ZINC000398113311 776120943 /nfs/dbraw/zinc/12/09/43/776120943.db2.gz ONYPSCSYVZSOEQ-DOTOQJQBSA-N 2 0 289.467 2.614 20 0 CFADRP Clc1ccc([C@H]2C[C@H]2CN2CCC[NH2+]CC2)cc1 ZINC001204654969 776451862 /nfs/dbraw/zinc/45/18/62/776451862.db2.gz LENNVZLRLSWCHB-DZGCQCFKSA-N 2 0 264.800 2.739 20 0 CFADRP c1cc2c(c(C[NH+]3CCC4(CCC[NH2+]4)CC3)c1)CCC2 ZINC001228557447 776519670 /nfs/dbraw/zinc/51/96/70/776519670.db2.gz ZOZAASOMWHYXGC-UHFFFAOYSA-N 2 0 270.420 2.893 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)CC[C@@H]1[NH3+] ZINC000399420232 776532937 /nfs/dbraw/zinc/53/29/37/776532937.db2.gz NFXUYZWGRXOJCS-VWYCJHECSA-N 2 0 265.228 2.630 20 0 CFADRP CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001277316417 776544597 /nfs/dbraw/zinc/54/45/97/776544597.db2.gz YSONULLNKPPQSC-HOTGVXAUSA-N 2 0 297.487 2.534 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2ccncc2C1 ZINC001167826196 776547921 /nfs/dbraw/zinc/54/79/21/776547921.db2.gz OPZNNARJTLZQQJ-OAHLLOKOSA-N 2 0 275.440 2.950 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001167826935 776548052 /nfs/dbraw/zinc/54/80/52/776548052.db2.gz SCXUPODVWUPIMX-INIZCTEOSA-N 3 0 283.504 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001167825928 776548297 /nfs/dbraw/zinc/54/82/97/776548297.db2.gz LSFFNDSWNKRKHM-CBBWQLFWSA-N 2 0 256.409 2.929 20 0 CFADRP COc1ccc(CCC[NH+]2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001207586033 776560727 /nfs/dbraw/zinc/56/07/27/776560727.db2.gz SEJDTXSXEFALCB-UHFFFAOYSA-N 2 0 288.435 2.655 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N(CC[NH2+]C)C(C)(C)C ZINC001167833408 776569098 /nfs/dbraw/zinc/56/90/98/776569098.db2.gz AXOQQLBYDIEMGO-HNNXBMFYSA-N 2 0 271.493 2.817 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC001167834146 776573832 /nfs/dbraw/zinc/57/38/32/776573832.db2.gz ICPZJBNSTUMNOV-XHSDSOJGSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@H]1CCCOC1 ZINC001167835628 776585377 /nfs/dbraw/zinc/58/53/77/776585377.db2.gz SCGLFOVNPAMDCU-CABCVRRESA-N 2 0 256.434 2.608 20 0 CFADRP CCN(CC)[C@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167837180 776587007 /nfs/dbraw/zinc/58/70/07/776587007.db2.gz JAHOIGHYUKOKFD-SJORKVTESA-N 2 0 283.504 2.913 20 0 CFADRP CC[C@H]1COCC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167836769 776587142 /nfs/dbraw/zinc/58/71/42/776587142.db2.gz GWPNWNMBJKUGHW-GJZGRUSLSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC001167837465 776589271 /nfs/dbraw/zinc/58/92/71/776589271.db2.gz KZLZNOTZNCNRQQ-HNNXBMFYSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001167838050 776589469 /nfs/dbraw/zinc/58/94/69/776589469.db2.gz PDCBTHHHJMMXAW-GDBMZVCRSA-N 2 0 268.445 2.940 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001167841635 776608008 /nfs/dbraw/zinc/60/80/08/776608008.db2.gz NJFQIRMYMFIVMV-NVXWUHKLSA-N 2 0 281.488 2.665 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)CCC[NH+](C)C ZINC001167841654 776608164 /nfs/dbraw/zinc/60/81/64/776608164.db2.gz NQYRHFYJPGESLO-INIZCTEOSA-N 3 0 271.493 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001167841649 776608183 /nfs/dbraw/zinc/60/81/83/776608183.db2.gz NLWNNHBQKSWSDG-RRFJBIMHSA-N 2 0 256.434 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001167841910 776609564 /nfs/dbraw/zinc/60/95/64/776609564.db2.gz UISQSEJQCOZBGW-IRXDYDNUSA-N 2 0 283.504 2.911 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(F)c2ccccc2c1 ZINC001167882375 776715649 /nfs/dbraw/zinc/71/56/49/776715649.db2.gz QQGCLGNTHNSJJM-UHFFFAOYSA-N 2 0 274.343 2.654 20 0 CFADRP Clc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000709867640 776796028 /nfs/dbraw/zinc/79/60/28/776796028.db2.gz KETHACPOJPVVAY-INIZCTEOSA-N 2 0 278.827 2.958 20 0 CFADRP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167916102 776868667 /nfs/dbraw/zinc/86/86/67/776868667.db2.gz FOOHTAHCOJOYRS-VIKVFOODSA-N 2 0 274.383 2.874 20 0 CFADRP CC[NH+](CC)C[C@H](C)Oc1ccccc1C[NH+](C)C ZINC001229698925 776874323 /nfs/dbraw/zinc/87/43/23/776874323.db2.gz IODRBGDTPROZTO-AWEZNQCLSA-N 2 0 264.413 2.857 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709968684 776948330 /nfs/dbraw/zinc/94/83/30/776948330.db2.gz BJZOKQIQKVPDHN-RHSMWYFYSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@@H]1C ZINC000710015359 777002717 /nfs/dbraw/zinc/00/27/17/777002717.db2.gz NEPMZCOXDSQSSR-FXUDXRNXSA-N 2 0 250.430 2.887 20 0 CFADRP COc1cc(C)cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204735545 777088029 /nfs/dbraw/zinc/08/80/29/777088029.db2.gz XGFMSHWKBZVNMX-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167958505 777275472 /nfs/dbraw/zinc/27/54/72/777275472.db2.gz GEXJFEDLKYQZIZ-GOOCMWNKSA-N 2 0 291.464 2.681 20 0 CFADRP C[N@@H+]1CCCC2(CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1 ZINC001277553772 777313358 /nfs/dbraw/zinc/31/33/58/777313358.db2.gz MTEGQVNSKNTEHE-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231975912 777400597 /nfs/dbraw/zinc/40/05/97/777400597.db2.gz XRQISWVEGDQJHZ-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP CC1(C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@](C)(CO)C1 ZINC001232010859 777411370 /nfs/dbraw/zinc/41/13/70/777411370.db2.gz FBYYMALAUJZFDK-MRXNPFEDSA-N 2 0 273.380 2.546 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC001232013746 777412348 /nfs/dbraw/zinc/41/23/48/777412348.db2.gz DQWNXUJXQWBWKM-CYBMUJFWSA-N 2 0 278.359 2.947 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001232013561 777412677 /nfs/dbraw/zinc/41/26/77/777412677.db2.gz BPRKQUSQVJENLN-MRXNPFEDSA-N 2 0 284.407 2.623 20 0 CFADRP CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccnc1 ZINC001232013753 777413151 /nfs/dbraw/zinc/41/31/51/777413151.db2.gz DXEJRHPKEAXMHE-UHFFFAOYSA-N 2 0 266.348 2.980 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001232150501 777451364 /nfs/dbraw/zinc/45/13/64/777451364.db2.gz XGHLOMBLYVNUSW-GOEBONIOSA-N 2 0 262.372 2.872 20 0 CFADRP COC[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984489 777460632 /nfs/dbraw/zinc/46/06/32/777460632.db2.gz PFBKXLOSYZGYOB-LVYZTWJOSA-N 2 0 278.440 2.503 20 0 CFADRP COCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167985052 777469147 /nfs/dbraw/zinc/46/91/47/777469147.db2.gz TYKGZXLQGZOKMT-JWTNVVGKSA-N 2 0 292.467 2.750 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC3(CCC3)C1)C2 ZINC001167987108 777481538 /nfs/dbraw/zinc/48/15/38/777481538.db2.gz KNXTWJNKOYEUKL-XYPWUTKMSA-N 2 0 260.425 2.878 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cs3)C[C@@H]2C1 ZINC001232277674 777506824 /nfs/dbraw/zinc/50/68/24/777506824.db2.gz CTHHCXQGWDNUCQ-MNOVXSKESA-N 2 0 270.829 2.785 20 0 CFADRP FC(F)C[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277645118 777511585 /nfs/dbraw/zinc/51/15/85/777511585.db2.gz OZMPBNRROKEOBH-UHFFFAOYSA-N 2 0 283.366 2.568 20 0 CFADRP CC[N@H+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995334 777528408 /nfs/dbraw/zinc/52/84/08/777528408.db2.gz AYEJHOLIOJUEFN-JWTNVVGKSA-N 2 0 292.467 2.893 20 0 CFADRP C[C@H]1CC(n2cnc(C[NH3+])c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005828 777577487 /nfs/dbraw/zinc/57/74/87/777577487.db2.gz KNRQQMVGMLKHJI-GJZGRUSLSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@@H]1CC([NH2+]C2CC(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006920 777583470 /nfs/dbraw/zinc/58/34/70/777583470.db2.gz PPERTPQXSVVHDZ-JDPPGYRCSA-N 2 0 288.435 2.541 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC001204757253 777590381 /nfs/dbraw/zinc/59/03/81/777590381.db2.gz XHVABLPJNICKAN-WBVHZDCISA-N 2 0 298.430 2.993 20 0 CFADRP C[C@H]1CC([NH2+][C@@H]2CCOC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015007 777644318 /nfs/dbraw/zinc/64/43/18/777644318.db2.gz OJQURJSEMUENMG-YQQAZPJKSA-N 2 0 288.435 2.807 20 0 CFADRP C[C@@H]1CC([NH2+]C[C@@H]2CCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017986 777666298 /nfs/dbraw/zinc/66/62/98/777666298.db2.gz YITREAWGKNYCPH-RKVPGOIHSA-N 2 0 288.435 2.807 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cc(O)cc(OC)c1 ZINC001232810105 777677554 /nfs/dbraw/zinc/67/75/54/777677554.db2.gz ZDZDRKXMBLPNBT-UHFFFAOYSA-N 2 0 280.412 2.565 20 0 CFADRP C[C@H](O)CC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168029602 777728194 /nfs/dbraw/zinc/72/81/94/777728194.db2.gz TYRQYUZUCSTFGO-OAGGEKHMSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC001168074987 777941583 /nfs/dbraw/zinc/94/15/83/777941583.db2.gz MACXFBOVLGJXAN-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001168075909 777947247 /nfs/dbraw/zinc/94/72/47/777947247.db2.gz RVBBIZTXYREPTG-DJIMGWMZSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CCO1 ZINC001168076692 777950305 /nfs/dbraw/zinc/95/03/05/777950305.db2.gz ZUVRANINAMWQSA-DGCLKSJQSA-N 2 0 254.418 2.534 20 0 CFADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1CCO[C@H](C)C1 ZINC001168094755 778031506 /nfs/dbraw/zinc/03/15/06/778031506.db2.gz ZITHNOZSQWSMMZ-BFYDXBDKSA-N 2 0 276.424 2.651 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094979 778031657 /nfs/dbraw/zinc/03/16/57/778031657.db2.gz YMHIMIRPHABTGW-DTZQCDIJSA-N 2 0 266.429 2.536 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)CCO1 ZINC001168100419 778039726 /nfs/dbraw/zinc/03/97/26/778039726.db2.gz CEXBZYMNTPQWGC-RYRKJORJSA-N 2 0 292.467 2.964 20 0 CFADRP CC(C)(C)C(=O)C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277847672 778210602 /nfs/dbraw/zinc/21/06/02/778210602.db2.gz ACCFQJRLLBXDPQ-UHFFFAOYSA-N 2 0 292.467 2.942 20 0 CFADRP C[N@@H+]1CCCC2(CCN(COCc3ccccc3)CC2)C1 ZINC001277896819 778304530 /nfs/dbraw/zinc/30/45/30/778304530.db2.gz TYAUZVZGACPSLQ-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCCCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC001234977617 778343686 /nfs/dbraw/zinc/34/36/86/778343686.db2.gz AHUKRPIJLUHJCB-BETUJISGSA-N 2 0 264.438 2.742 20 0 CFADRP CC1(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)CCCCC1 ZINC001235006729 778351216 /nfs/dbraw/zinc/35/12/16/778351216.db2.gz KCXIMSMZUWFBPF-QGZVFWFLSA-N 2 0 280.456 2.659 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235007489 778352863 /nfs/dbraw/zinc/35/28/63/778352863.db2.gz KUDHHSPLEDHTEG-UHFFFAOYSA-N 2 0 296.455 2.703 20 0 CFADRP Cc1cc(CN2CC[C@H]3[NH2+]C[C@H]3C2)cc(C)c1OC(C)C ZINC001235029917 778359185 /nfs/dbraw/zinc/35/91/85/778359185.db2.gz BVIZRDPXWGIKHS-DLBZAZTESA-N 2 0 288.435 2.884 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001235031957 778361071 /nfs/dbraw/zinc/36/10/71/778361071.db2.gz IGLNGCCKHXQYAR-GOSISDBHSA-N 2 0 288.435 2.806 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)c1)NCC2 ZINC001235037238 778362754 /nfs/dbraw/zinc/36/27/54/778362754.db2.gz FNLXPEAXWPMLNK-GOSISDBHSA-N 2 0 285.435 2.763 20 0 CFADRP c1ccc(CCCCN2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235109437 778383545 /nfs/dbraw/zinc/38/35/45/778383545.db2.gz FAKNFCMFAOMXBR-KRWDZBQOSA-N 2 0 258.409 2.837 20 0 CFADRP CCn1ccc2c1cccc2CN1CCC[C@]12CC[NH2+]C2 ZINC001235109684 778384510 /nfs/dbraw/zinc/38/45/10/778384510.db2.gz HIURYXQKQKYSJD-GOSISDBHSA-N 2 0 283.419 2.989 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CNCCO3)C2)cc1 ZINC001235113250 778386242 /nfs/dbraw/zinc/38/62/42/778386242.db2.gz AXMCLOTXNHCKCJ-GOSISDBHSA-N 2 0 288.435 2.764 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1C[NH2+]C2 ZINC001235156305 778399021 /nfs/dbraw/zinc/39/90/21/778399021.db2.gz FVLPPKCAUKQWCA-LJQANCHMSA-N 3 0 299.462 2.644 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169383 778402431 /nfs/dbraw/zinc/40/24/31/778402431.db2.gz AFBFVCSYDMZDJU-YVSFHVDLSA-N 2 0 260.425 2.807 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2c(c1)CCCC2 ZINC001235184424 778405570 /nfs/dbraw/zinc/40/55/70/778405570.db2.gz KWLXQMNLPLKCMA-WBVHZDCISA-N 2 0 270.420 2.607 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC001235193557 778409785 /nfs/dbraw/zinc/40/97/85/778409785.db2.gz PABZKOWPJWIUJI-OAGGEKHMSA-N 2 0 262.441 2.910 20 0 CFADRP CCCN(CCC)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294955 778410980 /nfs/dbraw/zinc/41/09/80/778410980.db2.gz KLAXRBOQYPLIJN-UHFFFAOYSA-N 2 0 269.477 2.571 20 0 CFADRP [NH3+][C@@H]1[C@H]2CN(Cc3cccc(OCc4ccccc4)c3)C[C@H]21 ZINC001235209645 778415594 /nfs/dbraw/zinc/41/55/94/778415594.db2.gz FRHPMWXTIUBCMI-BWTSREIZSA-N 2 0 294.398 2.655 20 0 CFADRP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235210627 778416425 /nfs/dbraw/zinc/41/64/25/778416425.db2.gz OYQFMCCXLQZZQJ-VIBAHUMZSA-N 2 0 272.436 2.878 20 0 CFADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1F ZINC001168304048 778417366 /nfs/dbraw/zinc/41/73/66/778417366.db2.gz MHFLOLIAMQXUKW-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ncccc32)CC1 ZINC001168304288 778418705 /nfs/dbraw/zinc/41/87/05/778418705.db2.gz SMYDYEKNZCLHHQ-SEEARECTSA-N 2 0 259.397 2.531 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC001235223386 778420345 /nfs/dbraw/zinc/42/03/45/778420345.db2.gz DPGSZDYZURNSSI-HOCLYGCPSA-N 2 0 256.393 2.912 20 0 CFADRP Cc1cnc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235227964 778421853 /nfs/dbraw/zinc/42/18/53/778421853.db2.gz KOTRZILJHBFGPD-CQSZACIVSA-N 2 0 279.453 2.806 20 0 CFADRP Oc1ccc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235230681 778422439 /nfs/dbraw/zinc/42/24/39/778422439.db2.gz WWAACAOCNHOEDI-KRWDZBQOSA-N 2 0 292.398 2.885 20 0 CFADRP Fc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccn1 ZINC001235230659 778422523 /nfs/dbraw/zinc/42/25/23/778422523.db2.gz WHRSHTUCQJEUML-HNNXBMFYSA-N 2 0 277.387 2.575 20 0 CFADRP Cc1ncccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230061 778422755 /nfs/dbraw/zinc/42/27/55/778422755.db2.gz NGYZKECHSLQTNQ-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP Fc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccn1 ZINC001235230660 778422975 /nfs/dbraw/zinc/42/29/75/778422975.db2.gz WHRSHTUCQJEUML-OAHLLOKOSA-N 2 0 277.387 2.575 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235229588 778423132 /nfs/dbraw/zinc/42/31/32/778423132.db2.gz REDJFGYCSJMJRV-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001168313620 778424166 /nfs/dbraw/zinc/42/41/66/778424166.db2.gz FEBPUCNSXDWMAJ-PQAZSJQKSA-N 2 0 260.372 2.631 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001168314392 778425272 /nfs/dbraw/zinc/42/52/72/778425272.db2.gz FTGJVMKLZXUQDF-CKUJCDMFSA-N 2 0 278.440 2.693 20 0 CFADRP Cc1ncc(F)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237324 778426494 /nfs/dbraw/zinc/42/64/94/778426494.db2.gz AEYAOYMQVAWVIS-KRWDZBQOSA-N 2 0 291.414 2.883 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235239107 778427199 /nfs/dbraw/zinc/42/71/99/778427199.db2.gz IULMSNUEDHBGOO-HNNXBMFYSA-N 2 0 292.398 2.885 20 0 CFADRP Oc1cc(F)cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235240135 778428083 /nfs/dbraw/zinc/42/80/83/778428083.db2.gz VTZQUKVSPZDGIN-QGZVFWFLSA-N 2 0 292.398 2.885 20 0 CFADRP c1[nH]c2cccnc2c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243387 778429279 /nfs/dbraw/zinc/42/92/79/778429279.db2.gz XJXNWZWQAXJJHH-INIZCTEOSA-N 2 0 298.434 2.917 20 0 CFADRP Cc1cc(F)ncc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243220 778429514 /nfs/dbraw/zinc/42/95/14/778429514.db2.gz WMYDWTLGMFBLQA-MRXNPFEDSA-N 2 0 291.414 2.883 20 0 CFADRP CCOc1ccc2[nH]cc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)c2c1 ZINC001235246492 778430569 /nfs/dbraw/zinc/43/05/69/778430569.db2.gz XTLQLGAMGYYKQB-RDTXWAMCSA-N 2 0 299.418 2.880 20 0 CFADRP CCOc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1C ZINC001235247284 778430722 /nfs/dbraw/zinc/43/07/22/778430722.db2.gz DNMYVISQEWLSIP-NVXWUHKLSA-N 2 0 274.408 2.707 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCOc3ccccc3C2)CC1 ZINC001168323047 778431218 /nfs/dbraw/zinc/43/12/18/778431218.db2.gz OLYJPJFPYMPSPE-UHFFFAOYSA-N 2 0 274.408 2.754 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)C2CCC([NH+](C)C)CC2)CC1 ZINC001168322937 778432420 /nfs/dbraw/zinc/43/24/20/778432420.db2.gz JXXOBNPSUQJNMY-UHFFFAOYSA-N 3 0 295.515 2.911 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCC3(CCCO3)CC2)CC1 ZINC001168323681 778432992 /nfs/dbraw/zinc/43/29/92/778432992.db2.gz ANULABGSPCHNGB-UHFFFAOYSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001168327024 778434592 /nfs/dbraw/zinc/43/45/92/778434592.db2.gz JAZSFIZXWKJCLX-UHFFFAOYSA-N 2 0 280.456 2.894 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4)cc3)C[C@@H]12 ZINC001235285912 778443455 /nfs/dbraw/zinc/44/34/55/778443455.db2.gz WHAMNALQSIHSRB-BCDXTJNWSA-N 2 0 282.362 2.882 20 0 CFADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235341587 778460288 /nfs/dbraw/zinc/46/02/88/778460288.db2.gz QYMVTPLRCZYHKM-KRWDZBQOSA-N 2 0 272.436 2.926 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349557 778464859 /nfs/dbraw/zinc/46/48/59/778464859.db2.gz QPKKIKDHPFNVHJ-VDHUWJSZSA-N 2 0 270.420 2.722 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365304 778469314 /nfs/dbraw/zinc/46/93/14/778469314.db2.gz NOHZCKUFQYBAIH-ZAWLATJESA-N 2 0 284.447 2.896 20 0 CFADRP C[C@H]1C[C@H]1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379778 778470946 /nfs/dbraw/zinc/47/09/46/778470946.db2.gz QPKKIKDHPFNVHJ-OWLYRPNTSA-N 2 0 270.420 2.722 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399779 778475365 /nfs/dbraw/zinc/47/53/65/778475365.db2.gz BJIVYFBMCRIIIS-IAGOWNOFSA-N 2 0 276.399 2.773 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](CC1CCCCC1)C2 ZINC001235405465 778477805 /nfs/dbraw/zinc/47/78/05/778477805.db2.gz PAHNRFNBHXRVFJ-CABCVRRESA-N 2 0 254.393 2.590 20 0 CFADRP Fc1ccccc1CCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235408447 778479740 /nfs/dbraw/zinc/47/97/40/778479740.db2.gz VGILLABXRUNPTE-IAGOWNOFSA-N 2 0 294.389 2.782 20 0 CFADRP Oc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235431743 778487799 /nfs/dbraw/zinc/48/77/99/778487799.db2.gz VRZIVICAYMHJHJ-KGLIPLIRSA-N 2 0 292.398 2.743 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1cccc(C(F)(F)F)c1 ZINC001235435288 778489728 /nfs/dbraw/zinc/48/97/28/778489728.db2.gz HGEXVUCDQLJDHO-UHFFFAOYSA-N 2 0 274.330 2.919 20 0 CFADRP CC[C@@H](C)[N@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235453263 778495654 /nfs/dbraw/zinc/49/56/54/778495654.db2.gz IUHFJVPXLDVYFP-CYBMUJFWSA-N 2 0 271.408 2.975 20 0 CFADRP [NH3+]CCCC[NH+]1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC001235574053 778518229 /nfs/dbraw/zinc/51/82/29/778518229.db2.gz FFRKWOAWNFLRTN-QGZVFWFLSA-N 2 0 288.435 2.764 20 0 CFADRP C[C@H](CC[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC000697906417 778521252 /nfs/dbraw/zinc/52/12/52/778521252.db2.gz YUXZLOQPNHDCJK-CYBMUJFWSA-N 2 0 257.381 2.665 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697911233 778522598 /nfs/dbraw/zinc/52/25/98/778522598.db2.gz YMMKCYXXVDCLHS-KBPBESRZSA-N 2 0 264.413 2.556 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CCCC[NH3+])cc1OC ZINC001235673464 778531368 /nfs/dbraw/zinc/53/13/68/778531368.db2.gz IHRFEGMTPVYHCO-CQSZACIVSA-N 2 0 278.396 2.580 20 0 CFADRP C[N@@H+]1CCN(CC[C@@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC001235672777 778531601 /nfs/dbraw/zinc/53/16/01/778531601.db2.gz GRXXTFBZRUOEAD-ROUUACIJSA-N 2 0 287.451 2.507 20 0 CFADRP Fc1ccc(O[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC001235686666 778537348 /nfs/dbraw/zinc/53/73/48/778537348.db2.gz APENZZHTWOKWPX-QGZVFWFLSA-N 2 0 292.398 2.669 20 0 CFADRP CN(C)c1cc(F)cc(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717010 778547281 /nfs/dbraw/zinc/54/72/81/778547281.db2.gz BEOPEFFRWQBKNC-UHFFFAOYSA-N 2 0 293.430 2.713 20 0 CFADRP COc1cccc([C@@H]2CCCC[N@@H+]2CCCC[NH3+])c1 ZINC001235725196 778548035 /nfs/dbraw/zinc/54/80/35/778548035.db2.gz JIWUJHCTWVIMFR-INIZCTEOSA-N 2 0 262.397 2.961 20 0 CFADRP COCCCN(Cc1ccc(C)s1)[C@H]1CCC[NH2+]C1 ZINC001235808477 778564510 /nfs/dbraw/zinc/56/45/10/778564510.db2.gz UBGSWVBEBZPQHU-AWEZNQCLSA-N 2 0 282.453 2.647 20 0 CFADRP C[Si](C)(C)C[N@H+](CCC1C[NH2+]C1)Cc1ccccc1 ZINC001235825249 778569087 /nfs/dbraw/zinc/56/90/87/778569087.db2.gz KLEUZXZVBZNBEP-UHFFFAOYSA-N 2 0 276.500 2.976 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[NH+]2CCCCCCC2)c1 ZINC001235840341 778575862 /nfs/dbraw/zinc/57/58/62/778575862.db2.gz KRWWRHHFDLQTJW-UHFFFAOYSA-N 2 0 287.451 2.862 20 0 CFADRP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc(C)c1Cl ZINC001235841483 778576043 /nfs/dbraw/zinc/57/60/43/778576043.db2.gz GIQAAPDXPQERKZ-CYBMUJFWSA-N 2 0 266.816 2.998 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1CC ZINC001235843101 778576672 /nfs/dbraw/zinc/57/66/72/778576672.db2.gz VSABYTJPLXCFHE-OAHLLOKOSA-N 2 0 276.424 2.689 20 0 CFADRP CC[C@H]([NH3+])CN1CC[C@H](c2ccc(Br)cc2)C1 ZINC001235882526 778589358 /nfs/dbraw/zinc/58/93/58/778589358.db2.gz MWXLZYUJFMMBDL-JSGCOSHPSA-N 2 0 297.240 2.976 20 0 CFADRP CCSCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000160068219 778591698 /nfs/dbraw/zinc/59/16/98/778591698.db2.gz PCPLVMAZQSDPBH-RLAWYHOSSA-N 2 0 256.459 2.733 20 0 CFADRP Oc1cc(Cl)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001235903548 778601917 /nfs/dbraw/zinc/60/19/17/778601917.db2.gz HDCXTPRNDJPCNK-UHFFFAOYSA-N 2 0 289.766 2.517 20 0 CFADRP c1ccc2c(c1)cccc2C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929380 778613758 /nfs/dbraw/zinc/61/37/58/778613758.db2.gz NNNQVEGLKFTLLJ-NVXWUHKLSA-N 2 0 266.388 2.881 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235941817 778619125 /nfs/dbraw/zinc/61/91/25/778619125.db2.gz XCFSBFQMQRAXPU-CVEARBPZSA-N 2 0 258.409 2.599 20 0 CFADRP COc1cc(C)c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1C ZINC001235951358 778624352 /nfs/dbraw/zinc/62/43/52/778624352.db2.gz RARMDSPWKHHBCH-OAHLLOKOSA-N 2 0 276.424 2.743 20 0 CFADRP CC1=C[C@H](C)[C@H](C[N@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC001235952471 778624687 /nfs/dbraw/zinc/62/46/87/778624687.db2.gz XTWIXDNTSZGRJQ-JYJNAYRXSA-N 2 0 250.430 2.910 20 0 CFADRP CCC(CC)[N@H+](C)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235958799 778628305 /nfs/dbraw/zinc/62/83/05/778628305.db2.gz AJSSZQZEESQRRE-UHFFFAOYSA-N 2 0 275.440 2.717 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001235993404 778645679 /nfs/dbraw/zinc/64/56/79/778645679.db2.gz NJNGFXQDAUEPHT-UHFFFAOYSA-N 2 0 299.462 2.862 20 0 CFADRP CCN(Cc1ccc2c(c1)NCCC2)[C@@H]1CCC[NH2+]C1 ZINC001236011720 778653659 /nfs/dbraw/zinc/65/36/59/778653659.db2.gz ZQRRHKPWTGDTCG-MRXNPFEDSA-N 2 0 273.424 2.619 20 0 CFADRP Cc1cc(C[N@H+](CCCC[NH3+])Cc2ccccc2)on1 ZINC001236072609 778681293 /nfs/dbraw/zinc/68/12/93/778681293.db2.gz TVPFQNPKHKEUSE-UHFFFAOYSA-N 2 0 273.380 2.724 20 0 CFADRP CC1(C)C[N@H+](Cc2ccc3n2CC[NH2+]C3)Cc2ccccc21 ZINC001236084713 778684734 /nfs/dbraw/zinc/68/47/34/778684734.db2.gz FHYXXARYQMPSSW-UHFFFAOYSA-N 2 0 295.430 2.885 20 0 CFADRP c1cc2c(cc1C[NH+]1CC3CCC(CC3)C1)CC[NH2+]C2 ZINC001236089155 778686481 /nfs/dbraw/zinc/68/64/81/778686481.db2.gz PAQMKOBRXZMWSL-UHFFFAOYSA-N 2 0 270.420 2.954 20 0 CFADRP C(CC1CCCCC1)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236126213 778705519 /nfs/dbraw/zinc/70/55/19/778705519.db2.gz AEBYRUZNEXPAHL-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@]1(CF)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374367 778709026 /nfs/dbraw/zinc/70/90/26/778709026.db2.gz ZXFXQYKPAPDVQB-OAHLLOKOSA-N 2 0 254.393 2.542 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccccc2C2([NH3+])CCC2)cn1 ZINC001236156003 778720463 /nfs/dbraw/zinc/72/04/63/778720463.db2.gz NHCDKKCYPCFFMN-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP C[N@H+](Cc1cccc2c1OC(F)(F)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224629 778744925 /nfs/dbraw/zinc/74/49/25/778744925.db2.gz VWEUZBBJILSLOO-HAQNSBGRSA-N 2 0 298.333 2.710 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@H+](CCCC[NH3+])C2)c1 ZINC001236304257 778768624 /nfs/dbraw/zinc/76/86/24/778768624.db2.gz JOGZEOGZXZTAEV-INIZCTEOSA-N 2 0 276.424 2.689 20 0 CFADRP COc1ccc(CCC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315281 778773874 /nfs/dbraw/zinc/77/38/74/778773874.db2.gz ZAPANRXGUYZMQA-CALCHBBNSA-N 2 0 288.435 2.559 20 0 CFADRP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001236314471 778773892 /nfs/dbraw/zinc/77/38/92/778773892.db2.gz NTBAOHMRSVZQOZ-CALCHBBNSA-N 2 0 288.435 2.743 20 0 CFADRP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314768 778774552 /nfs/dbraw/zinc/77/45/52/778774552.db2.gz GTHFECMQQQYRSG-GASCZTMLSA-N 2 0 283.419 2.908 20 0 CFADRP Fc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314392 778774627 /nfs/dbraw/zinc/77/46/27/778774627.db2.gz CPXUYRLWTNNLBG-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315559 778775049 /nfs/dbraw/zinc/77/50/49/778775049.db2.gz LEOAQHIIYHBZMV-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP c1cnc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236315541 778775361 /nfs/dbraw/zinc/77/53/61/778775361.db2.gz KTNNYCXEMQYHSS-CALCHBBNSA-N 2 0 281.403 2.666 20 0 CFADRP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236315830 778775522 /nfs/dbraw/zinc/77/55/22/778775522.db2.gz OIEFLOLYLZMQOY-GASCZTMLSA-N 2 0 283.419 2.908 20 0 CFADRP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236316545 778775580 /nfs/dbraw/zinc/77/55/80/778775580.db2.gz UELBDXGVYZWXMW-BETUJISGSA-N 2 0 299.340 2.532 20 0 CFADRP [NH3+]C1(c2ccccc2-c2cccc3c2CC[NH2+]C3)CC1 ZINC001236358244 778790919 /nfs/dbraw/zinc/79/09/19/778790919.db2.gz GPXYBGBGTGFRRZ-UHFFFAOYSA-N 2 0 264.372 2.947 20 0 CFADRP [NH3+]CCc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236357250 778790925 /nfs/dbraw/zinc/79/09/25/778790925.db2.gz CAZQSANIQSTWKZ-UHFFFAOYSA-N 2 0 252.361 2.501 20 0 CFADRP c1cc2c(c(-c3cncc(C[NH+]4CCCC4)c3)c1)CC[NH2+]C2 ZINC001236358987 778790988 /nfs/dbraw/zinc/79/09/88/778790988.db2.gz KGEJIIQMZJBFHO-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP Nc1[nH+]ccn1-c1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236360613 778791714 /nfs/dbraw/zinc/79/17/14/778791714.db2.gz RWVJUQFAIQLDDQ-UHFFFAOYSA-N 2 0 290.370 2.767 20 0 CFADRP C(CN(C[C@H]1CCC[NH2+]C1)C1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC001236369735 778794465 /nfs/dbraw/zinc/79/44/65/778794465.db2.gz CGBDTANQEHWWJI-IRXDYDNUSA-N 2 0 293.499 2.763 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CC[C@](F)(C[NH3+])C2)C1(C)C ZINC001236436588 778828508 /nfs/dbraw/zinc/82/85/08/778828508.db2.gz YTASKONSKNWHBI-ZFWWWQNUSA-N 2 0 254.393 2.742 20 0 CFADRP CC(C)(C)C[N@H+](Cc1cccc(C[NH3+])c1)C1CC[NH2+]CC1 ZINC001236459608 778834183 /nfs/dbraw/zinc/83/41/83/778834183.db2.gz VYLLLGKDEMLHSH-UHFFFAOYSA-N 3 0 289.467 2.745 20 0 CFADRP CCOCC[N@H+](Cc1cc(C)cc(C)c1)C1CC[NH2+]CC1 ZINC001236460802 778835748 /nfs/dbraw/zinc/83/57/48/778835748.db2.gz SJNDJNZBWRWFDY-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168402932 778837081 /nfs/dbraw/zinc/83/70/81/778837081.db2.gz HOXZDWNOGFODLK-IAGOWNOFSA-N 2 0 276.399 2.757 20 0 CFADRP COc1cc(F)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001231603536 778864431 /nfs/dbraw/zinc/86/44/31/778864431.db2.gz KNTNFCXVIQZBPA-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP CC[C@H]([NH3+])CN(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236534580 778868649 /nfs/dbraw/zinc/86/86/49/778868649.db2.gz XHOZZIXKXQSADV-JYJNAYRXSA-N 2 0 293.430 2.635 20 0 CFADRP Cc1cccc(C[N@H+](CC[C@H]2C[NH2+]CCO2)C2CC2)c1C ZINC001236535631 778868930 /nfs/dbraw/zinc/86/89/30/778868930.db2.gz XTDROSJRZRBDLA-SFHVURJKSA-N 2 0 288.435 2.646 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CCCC[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550823 778875457 /nfs/dbraw/zinc/87/54/57/778875457.db2.gz NCNBEDGJYLALAM-BRWVUGGUSA-N 3 0 281.488 2.747 20 0 CFADRP CC1(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001236572875 778879773 /nfs/dbraw/zinc/87/97/73/778879773.db2.gz VWMHIRUOFMQBKI-KOMQPUFPSA-N 3 0 279.472 2.501 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584668 778886273 /nfs/dbraw/zinc/88/62/73/778886273.db2.gz OKVKESILFYCPPM-INIZCTEOSA-N 2 0 293.499 2.763 20 0 CFADRP C[NH+](C)CC1(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)CCCC1 ZINC001236584452 778886484 /nfs/dbraw/zinc/88/64/84/778886484.db2.gz COHDWAFBADIDMB-MRXNPFEDSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1nc(C)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)o1 ZINC001236592578 778887949 /nfs/dbraw/zinc/88/79/49/778887949.db2.gz TWHWFGJMQOVVDF-UHFFFAOYSA-N 2 0 279.428 2.844 20 0 CFADRP C[C@@H](CC[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1)CC(C)(C)C ZINC001236614824 778894205 /nfs/dbraw/zinc/89/42/05/778894205.db2.gz BZBIXHKMSDMHCY-JKSUJKDBSA-N 2 0 295.515 2.946 20 0 CFADRP Cc1ccc(C[N@H+](CCCCO)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713908 778918080 /nfs/dbraw/zinc/91/80/80/778918080.db2.gz ILUUIYROVHGUGS-IYARVYRRSA-N 2 0 290.451 2.839 20 0 CFADRP CN(C)CC[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236755872 778929205 /nfs/dbraw/zinc/92/92/05/778929205.db2.gz RRDALPKLERROAS-QAQDUYKDSA-N 2 0 281.488 2.700 20 0 CFADRP CN1CCC[C@@H](C[N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001236769443 778930318 /nfs/dbraw/zinc/93/03/18/778930318.db2.gz VNYVVFYWYHAJKC-BRWVUGGUSA-N 2 0 295.515 2.946 20 0 CFADRP CC(C)(C)C[N@H+](CCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766703 778930362 /nfs/dbraw/zinc/93/03/62/778930362.db2.gz BRJJZAZFRZVCER-SHTZXODSSA-N 3 0 269.477 2.733 20 0 CFADRP CC(C)(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767559 778930797 /nfs/dbraw/zinc/93/07/97/778930797.db2.gz JNVNVVXUMUMULV-ULQDDVLXSA-N 3 0 295.515 2.994 20 0 CFADRP CCC(CC)[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782894 778933878 /nfs/dbraw/zinc/93/38/78/778933878.db2.gz MAFMMWAVORUUOQ-ZOBUZTSGSA-N 3 0 281.488 2.747 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(CF)n1)CC2 ZINC001232537691 778950731 /nfs/dbraw/zinc/95/07/31/778950731.db2.gz HUWSPDARVOCINF-UHFFFAOYSA-N 2 0 291.414 2.859 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236831347 778957451 /nfs/dbraw/zinc/95/74/51/778957451.db2.gz QOMDFFZHQZPJFX-USXIJHARSA-N 2 0 258.409 2.727 20 0 CFADRP CCC[N@@H+](Cc1cn(C)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236835642 778959847 /nfs/dbraw/zinc/95/98/47/778959847.db2.gz OHLWMBPDUUWEQL-HNNXBMFYSA-N 2 0 285.435 3.000 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1cccc(Br)c1C ZINC001236884262 778970753 /nfs/dbraw/zinc/97/07/53/778970753.db2.gz NGJHYROHTUVZSC-LBPRGKRZSA-N 2 0 285.229 2.927 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCC4(CCC4)C3)c2)CC1 ZINC001236888719 778973576 /nfs/dbraw/zinc/97/35/76/778973576.db2.gz GNKCRSJQENNWOH-UHFFFAOYSA-N 2 0 299.462 2.814 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c4ccoc43)C[C@@H]2C1 ZINC001236896604 778976708 /nfs/dbraw/zinc/97/67/08/778976708.db2.gz NGIYJETZRXTRNF-OCCSQVGLSA-N 2 0 288.366 2.955 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C2(CC2)C1 ZINC001236894673 778976940 /nfs/dbraw/zinc/97/69/40/778976940.db2.gz SIOWKQWXFDENGR-MRXNPFEDSA-N 2 0 299.462 2.813 20 0 CFADRP CC[C@H]1CCC[N@@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236900167 778978011 /nfs/dbraw/zinc/97/80/11/778978011.db2.gz WOQMBIOZAMQKBE-KRWDZBQOSA-N 2 0 287.451 2.813 20 0 CFADRP CC1=C[C@@H](C)[C@@H](CN(CC[NH+](C)C)C2CC[NH2+]CC2)CC1 ZINC001236911615 778980960 /nfs/dbraw/zinc/98/09/60/778980960.db2.gz FRAJRSIZHUXGFP-IAGOWNOFSA-N 2 0 293.499 2.594 20 0 CFADRP C(C[NH+]1CCC(CC2CC[NH2+]CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC001236946639 778983480 /nfs/dbraw/zinc/98/34/80/778983480.db2.gz CXFCKCHAHGEMKE-GOSISDBHSA-N 3 0 293.499 2.620 20 0 CFADRP c1ccc(CC[C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC001236950644 778984564 /nfs/dbraw/zinc/98/45/64/778984564.db2.gz OBBXQKZGXXZOCJ-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP c1ccc(N2C[C@@H]3C[NH+](CC[C@H]4CCCC[NH2+]4)C[C@H]3C2)cc1 ZINC001237037553 778994918 /nfs/dbraw/zinc/99/49/18/778994918.db2.gz JTSFMSQKIHZYMG-OKZBNKHCSA-N 2 0 299.462 2.587 20 0 CFADRP C[C@@H]1C(=O)CCN(CC[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC001237191471 779044793 /nfs/dbraw/zinc/04/47/93/779044793.db2.gz NJJXZFOJCLKAAO-HUUCEWRRSA-N 2 0 278.440 2.742 20 0 CFADRP C[C@H]1C(=O)CCN(CC[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC001237191473 779045660 /nfs/dbraw/zinc/04/56/60/779045660.db2.gz NJJXZFOJCLKAAO-LSDHHAIUSA-N 2 0 278.440 2.742 20 0 CFADRP FC(F)Oc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237383099 779087274 /nfs/dbraw/zinc/08/72/74/779087274.db2.gz ODWZILCKJSWQBM-UKRRQHHQSA-N 2 0 296.361 2.862 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237391301 779093867 /nfs/dbraw/zinc/09/38/67/779093867.db2.gz KUADVLXKRSGGFT-FUHWJXTLSA-N 2 0 281.403 2.809 20 0 CFADRP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237393724 779095505 /nfs/dbraw/zinc/09/55/05/779095505.db2.gz SMISZHMQAAUDKX-RHSMWYFYSA-N 2 0 274.408 2.583 20 0 CFADRP c1cc2ccncc2c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237401288 779096228 /nfs/dbraw/zinc/09/62/28/779096228.db2.gz CQVIJERCSLADJP-WMZOPIPTSA-N 2 0 281.403 2.809 20 0 CFADRP Cc1c(F)cc(F)cc1CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237405113 779098896 /nfs/dbraw/zinc/09/88/96/779098896.db2.gz PKINYHWIGVBJOU-MLGOLLRUSA-N 2 0 280.362 2.847 20 0 CFADRP CCOc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)ccc1C ZINC001237413048 779101974 /nfs/dbraw/zinc/10/19/74/779101974.db2.gz IRSBZFVWVXIWNO-SJORKVTESA-N 2 0 288.435 2.968 20 0 CFADRP c1ccc2c(c1)ccnc2CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413557 779102249 /nfs/dbraw/zinc/10/22/49/779102249.db2.gz IRBOHRVHUSJGOQ-WBVHZDCISA-N 2 0 281.403 2.809 20 0 CFADRP c1nc2ccc(CN3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2s1 ZINC001237413945 779102475 /nfs/dbraw/zinc/10/24/75/779102475.db2.gz JTCLCXNKPOBOHS-ZIAGYGMSSA-N 2 0 287.432 2.870 20 0 CFADRP Fc1cc2cc[nH]c2c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237413663 779102534 /nfs/dbraw/zinc/10/25/34/779102534.db2.gz KMPHPJRDAAJZSG-BBRMVZONSA-N 2 0 287.382 2.881 20 0 CFADRP Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095433 779174533 /nfs/dbraw/zinc/17/45/33/779174533.db2.gz XQBUFKNCRHYHGB-ZDUSSCGKSA-N 2 0 257.381 2.790 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CCOC[C@H]3C)cc21 ZINC001237876015 779197680 /nfs/dbraw/zinc/19/76/80/779197680.db2.gz BTOYEZWOCJQZJG-CQSZACIVSA-N 2 0 286.419 2.909 20 0 CFADRP Cc1sccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001237965439 779218204 /nfs/dbraw/zinc/21/82/04/779218204.db2.gz YDOWNGKNYNGQNK-UHFFFAOYSA-N 2 0 273.405 2.774 20 0 CFADRP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699264504 779229384 /nfs/dbraw/zinc/22/93/84/779229384.db2.gz SBVHXBSLVBRETK-DDPDARIZSA-N 2 0 250.430 2.883 20 0 CFADRP c1[nH+]cn2c1cccc2C[NH+]1CCc2ccccc2CC1 ZINC001238113018 779255761 /nfs/dbraw/zinc/25/57/61/779255761.db2.gz HGPJYWHLFACSOI-UHFFFAOYSA-N 2 0 277.371 2.935 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238110265 779255840 /nfs/dbraw/zinc/25/58/40/779255840.db2.gz MFUSNAJJLZTGEH-UHFFFAOYSA-N 3 0 298.434 2.642 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001168476904 779258782 /nfs/dbraw/zinc/25/87/82/779258782.db2.gz WYWNLZPELRWVTQ-HNNXBMFYSA-N 2 0 299.393 2.974 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001205117779 779261447 /nfs/dbraw/zinc/26/14/47/779261447.db2.gz UZYOYZYJQVFNPQ-INIZCTEOSA-N 2 0 273.424 2.600 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001205117780 779261584 /nfs/dbraw/zinc/26/15/84/779261584.db2.gz UZYOYZYJQVFNPQ-MRXNPFEDSA-N 2 0 273.424 2.600 20 0 CFADRP C(CN1CCCC[C@H]1CC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC001235677729 779367729 /nfs/dbraw/zinc/36/77/29/779367729.db2.gz IDQZLUOIKISCEJ-ROUUACIJSA-N 2 0 293.499 2.859 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(F)c3)C[C@@H]2C1 ZINC001168502103 779373325 /nfs/dbraw/zinc/37/33/25/779373325.db2.gz SLAAEKORFLJVKL-CWRNSKLLSA-N 2 0 276.399 2.640 20 0 CFADRP c1cc([C@H]2CCC[NH2+]C2)ccc1C1=CCC[NH2+]CC1 ZINC001238945459 779423283 /nfs/dbraw/zinc/42/32/83/779423283.db2.gz BGZVEDPQMLZJLG-KRWDZBQOSA-N 2 0 256.393 2.920 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000721271433 779466305 /nfs/dbraw/zinc/46/63/05/779466305.db2.gz HIRZOVUYGPYMIF-BHDPWAOGSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc3c[nH+]cn32)cn1 ZINC001239208097 779471476 /nfs/dbraw/zinc/47/14/76/779471476.db2.gz HIXSXLNKLKUSFG-UHFFFAOYSA-N 2 0 283.379 2.540 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccccc2C2([NH3+])CC2)cn1 ZINC001239214462 779477139 /nfs/dbraw/zinc/47/71/39/779477139.db2.gz KOXTXAMHDREVLJ-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001236314167 779536797 /nfs/dbraw/zinc/53/67/97/779536797.db2.gz IQXMEBJYNHIWJQ-OIISXLGYSA-N 2 0 258.409 2.722 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)cc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836520 779645341 /nfs/dbraw/zinc/64/53/41/779645341.db2.gz WSKARMDEKQSPAU-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001239684999 779709920 /nfs/dbraw/zinc/70/99/20/779709920.db2.gz YLQNEQHTVIVTCQ-UHFFFAOYSA-N 2 0 266.348 2.874 20 0 CFADRP Cc1cc(F)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239737847 779739573 /nfs/dbraw/zinc/73/95/73/779739573.db2.gz HEAJDMIAOHQQFG-UHFFFAOYSA-N 2 0 271.339 2.606 20 0 CFADRP [NH3+]Cc1cncc(-c2cnccc2C[NH+]2CCCCC2)c1 ZINC001239808984 779791625 /nfs/dbraw/zinc/79/16/25/779791625.db2.gz KWRLCAUDQRRXLI-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP Cc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)[nH+]c1N ZINC001168546911 779931075 /nfs/dbraw/zinc/93/10/75/779931075.db2.gz YVCFHSFDUTXCBD-LBPRGKRZSA-N 2 0 268.364 2.556 20 0 CFADRP Cc1n[nH]c(C)c1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001240129049 779954037 /nfs/dbraw/zinc/95/40/37/779954037.db2.gz WJYUXAKZHJWKNB-UHFFFAOYSA-N 2 0 298.434 2.864 20 0 CFADRP CCCn1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cn1 ZINC001240134430 779959359 /nfs/dbraw/zinc/95/93/59/779959359.db2.gz SPSHLJKTXAFHAJ-UHFFFAOYSA-N 2 0 298.434 2.883 20 0 CFADRP c1cc(C[NH+]2CCCCC2)cc(-c2ncnc3c2C[NH2+]C3)c1 ZINC001240162130 779980458 /nfs/dbraw/zinc/98/04/58/779980458.db2.gz FEYNXXVMGBMWHB-UHFFFAOYSA-N 2 0 294.402 2.733 20 0 CFADRP CCC(=O)Nc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc[nH+]1 ZINC001168602456 780032680 /nfs/dbraw/zinc/03/26/80/780032680.db2.gz NTNIIUINNPYFPH-KBPBESRZSA-N 2 0 290.411 2.715 20 0 CFADRP COc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)ccn1 ZINC001240260026 780037205 /nfs/dbraw/zinc/03/72/05/780037205.db2.gz QFOUBBAIAPVEJK-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP C[NH+](C)CCCOc1ccc(-c2ccc(CC[NH3+])cc2)cn1 ZINC001205248591 780037881 /nfs/dbraw/zinc/03/78/81/780037881.db2.gz POFREUFYFHRHLR-UHFFFAOYSA-N 2 0 299.418 2.580 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ncccc2Cl)CC1 ZINC000715531659 780098143 /nfs/dbraw/zinc/09/81/43/780098143.db2.gz KCRFOZCMIAXBDG-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP Cc1nc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)sc1C ZINC000715582428 780173967 /nfs/dbraw/zinc/17/39/67/780173967.db2.gz FDCWDXKJEYZWBH-STQMWFEESA-N 2 0 267.442 2.722 20 0 CFADRP [NH3+]C1(c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2)CC1 ZINC001240457289 780179730 /nfs/dbraw/zinc/17/97/30/780179730.db2.gz ZNBIAWXNXCCUJJ-UHFFFAOYSA-N 2 0 264.372 2.947 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168680966 780315540 /nfs/dbraw/zinc/31/55/40/780315540.db2.gz YFOIOQLUQCRQKY-XQQFMLRXSA-N 2 0 264.800 2.667 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240671077 780344918 /nfs/dbraw/zinc/34/49/18/780344918.db2.gz SIYNGDSHPCDOMN-QZTJIDSGSA-N 2 0 286.419 2.850 20 0 CFADRP CCn1nccc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001240710323 780381222 /nfs/dbraw/zinc/38/12/22/780381222.db2.gz JRUCJEDCUUUFIB-UHFFFAOYSA-N 2 0 298.434 2.741 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C12CCC2 ZINC000453112764 780414723 /nfs/dbraw/zinc/41/47/23/780414723.db2.gz FPECHOPBKFAHJI-RRFJBIMHSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000453119905 780414798 /nfs/dbraw/zinc/41/47/98/780414798.db2.gz MWSFOMJCUZXJNI-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCC2 ZINC000453191868 780421475 /nfs/dbraw/zinc/42/14/75/780421475.db2.gz FXMHNBKOQHIWHS-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000423292333 780441320 /nfs/dbraw/zinc/44/13/20/780441320.db2.gz MNQUXVGKQCBFDP-XHDPSFHLSA-N 2 0 270.380 2.597 20 0 CFADRP C(c1cncc(C[NH+]2CCCCC2)c1)=C1CC[NH2+]CC1 ZINC001240878823 780497434 /nfs/dbraw/zinc/49/74/34/780497434.db2.gz PAFWELVHUSWGOO-UHFFFAOYSA-N 2 0 271.408 2.834 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2C=C2CC[NH2+]CC2)CC1 ZINC001240878321 780497787 /nfs/dbraw/zinc/49/77/87/780497787.db2.gz ZCQKOSPUANEICX-UHFFFAOYSA-N 3 0 299.462 2.624 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc(O)cc3ccccc32)CC1 ZINC001205054187 780648390 /nfs/dbraw/zinc/64/83/90/780648390.db2.gz ZPVOEYVDPAYXCC-UHFFFAOYSA-N 2 0 270.376 2.716 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCC2CC2)CC[C@@H]1C(F)(F)F ZINC000700837875 780728407 /nfs/dbraw/zinc/72/84/07/780728407.db2.gz FRKVITQQSHRPER-RYUDHWBXSA-N 2 0 264.335 2.636 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000701479644 780806851 /nfs/dbraw/zinc/80/68/51/780806851.db2.gz MSTXKMCILCOACK-GFCCVEGCSA-N 2 0 260.372 2.743 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000701503879 780811292 /nfs/dbraw/zinc/81/12/92/780811292.db2.gz XYOAYNHXSUCNBE-NFOMZHRRSA-N 2 0 266.429 2.551 20 0 CFADRP c1cc(-c2ncnc3c2C[NH2+]C3)ccc1C[NH+]1CCCCC1 ZINC001241386619 780841727 /nfs/dbraw/zinc/84/17/27/780841727.db2.gz GXUAHKVDZDKBHP-UHFFFAOYSA-N 2 0 294.402 2.733 20 0 CFADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229877460 780921066 /nfs/dbraw/zinc/92/10/66/780921066.db2.gz UXJDSVQMFAEYPA-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP C[N@H+](Cc1ccncc1Br)C1CCC([NH3+])CC1 ZINC000702847223 780963839 /nfs/dbraw/zinc/96/38/39/780963839.db2.gz HPSAPUVXHZKQDQ-UHFFFAOYSA-N 2 0 298.228 2.546 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703002851 780976404 /nfs/dbraw/zinc/97/64/04/780976404.db2.gz IVARUMNSFYNXJY-QQFBHYJXSA-N 2 0 270.461 2.780 20 0 CFADRP c1nn(C2C[NH2+]C2)cc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001241603133 781010438 /nfs/dbraw/zinc/01/04/38/781010438.db2.gz QHLUTRYETOTBNI-UHFFFAOYSA-N 2 0 296.418 2.680 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000703806352 781064990 /nfs/dbraw/zinc/06/49/90/781064990.db2.gz UQAJRTDDBXUAHD-NEXFUWMNSA-N 2 0 266.429 2.582 20 0 CFADRP C[N@H+](Cc1cccnc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000704191085 781091005 /nfs/dbraw/zinc/09/10/05/781091005.db2.gz XOSLYQWONJEXBA-UHFFFAOYSA-N 2 0 287.329 2.802 20 0 CFADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC001118057603 781176585 /nfs/dbraw/zinc/17/65/85/781176585.db2.gz FDILVLMCGSVQMC-CHWSQXEVSA-N 2 0 250.386 2.652 20 0 CFADRP C[NH+]1CCC(Oc2ccnc(-c3ccc(C[NH3+])cc3)c2)CC1 ZINC001241913121 781178570 /nfs/dbraw/zinc/17/85/70/781178570.db2.gz PDOZDSJBMMVNQW-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001241980248 781214308 /nfs/dbraw/zinc/21/43/08/781214308.db2.gz ZYUJRIZATZZIIK-OAHLLOKOSA-N 2 0 295.430 2.779 20 0 CFADRP CC[NH+](CC)Cc1ccncc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242027685 781241498 /nfs/dbraw/zinc/24/14/98/781241498.db2.gz HBEGLGJUHRECON-CVEARBPZSA-N 2 0 271.408 2.831 20 0 CFADRP COc1ccncc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001242060737 781254397 /nfs/dbraw/zinc/25/43/97/781254397.db2.gz SBXVJBZMFVUTHS-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP CSC1CC([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000708261993 781268373 /nfs/dbraw/zinc/26/83/73/781268373.db2.gz QEJFPAPKEAWXCL-UHFFFAOYSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1cc(N)ncc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242095220 781276520 /nfs/dbraw/zinc/27/65/20/781276520.db2.gz BWMMMAZJGSNIER-UHFFFAOYSA-N 2 0 296.418 2.562 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000709642923 781295478 /nfs/dbraw/zinc/29/54/78/781295478.db2.gz NSVWTNBXWVXMQS-NEPJUHHUSA-N 2 0 264.335 2.650 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cccc(C[NH+](C)C)n2)cc1 ZINC001242149632 781302248 /nfs/dbraw/zinc/30/22/48/781302248.db2.gz MYYZPAUNDVFHQS-UHFFFAOYSA-N 2 0 299.418 2.751 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cccc(C[NH3+])c2F)cc1 ZINC001242153293 781304058 /nfs/dbraw/zinc/30/40/58/781304058.db2.gz YDQIWGKFUMXWSL-UHFFFAOYSA-N 2 0 288.366 2.892 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1)[NH2+]2 ZINC000709329368 781309793 /nfs/dbraw/zinc/30/97/93/781309793.db2.gz JKYSLXBFJCUQEX-SJHCENCUSA-N 2 0 258.356 2.683 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C12CCC2 ZINC000710559072 781318277 /nfs/dbraw/zinc/31/82/77/781318277.db2.gz JQZCOHZLEZOQGB-NWDGAFQWSA-N 2 0 258.356 2.671 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000709803358 781318370 /nfs/dbraw/zinc/31/83/70/781318370.db2.gz OPGHOBRTNLYEFE-MAZHCROVSA-N 2 0 267.376 2.546 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cn2cc(Cl)ccc2n1 ZINC000710706514 781334910 /nfs/dbraw/zinc/33/49/10/781334910.db2.gz WJXUKTTXFRYOBN-UHFFFAOYSA-N 2 0 294.830 2.939 20 0 CFADRP COc1c(C)cnc(C[N@H+](C)CCCCCC[NH3+])c1C ZINC000710800329 781339033 /nfs/dbraw/zinc/33/90/33/781339033.db2.gz VOUUFYLPUCWKOT-UHFFFAOYSA-N 2 0 279.428 2.658 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(F)cc1F ZINC000710778915 781339436 /nfs/dbraw/zinc/33/94/36/781339436.db2.gz CWFJNAFHFCSCIG-UHFFFAOYSA-N 2 0 256.340 2.916 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711170738 781394323 /nfs/dbraw/zinc/39/43/23/781394323.db2.gz VZRXIALITXSTOK-XUWVNRHRSA-N 2 0 250.430 2.885 20 0 CFADRP FC1(F)CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000711184829 781394775 /nfs/dbraw/zinc/39/47/75/781394775.db2.gz SGFJUOOAAZOEJT-LLVKDONJSA-N 2 0 258.356 2.638 20 0 CFADRP COC(=O)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001168762326 781415776 /nfs/dbraw/zinc/41/57/76/781415776.db2.gz RGTDGQVKGADCFN-GYMHETDLSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711839914 781478922 /nfs/dbraw/zinc/47/89/22/781478922.db2.gz MGSQOIAHXCVNQK-WBVHZDCISA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc2cc[nH]c2c(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC001168762985 781494435 /nfs/dbraw/zinc/49/44/35/781494435.db2.gz CXRPGFMEWMVTMJ-UHFFFAOYSA-N 2 0 260.385 2.871 20 0 CFADRP C[C@@H](C[NH+](C)C)Nc1cc[nH+]cc1-c1ccccc1 ZINC001163782807 781574680 /nfs/dbraw/zinc/57/46/80/781574680.db2.gz RLCXVPTUXVKABY-ZDUSSCGKSA-N 2 0 255.365 2.533 20 0 CFADRP C[C@@H](C[NH+](C)C)Nc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001163785849 781584407 /nfs/dbraw/zinc/58/44/07/781584407.db2.gz IGNWKWYDQPSWQQ-ZDUSSCGKSA-N 2 0 293.480 2.893 20 0 CFADRP Nc1[nH+]ccn1Cc1cccc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242676629 781692900 /nfs/dbraw/zinc/69/29/00/781692900.db2.gz SUFFSYCHOPHJGQ-UHFFFAOYSA-N 2 0 290.370 2.784 20 0 CFADRP c1cc(-c2cncc(C[NH+]3CCCC3)c2)cc2c1C[NH2+]C2 ZINC001242677309 781694034 /nfs/dbraw/zinc/69/40/34/781694034.db2.gz YFHJNWAUZJKFDK-UHFFFAOYSA-N 2 0 279.387 2.948 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001242993961 781907568 /nfs/dbraw/zinc/90/75/68/781907568.db2.gz LPJBWDARKCFDBQ-SFHVURJKSA-N 2 0 282.387 2.814 20 0 CFADRP C[NH2+]Cc1cccc(-c2cc(C[N@H+](C)CCOC)ccn2)c1 ZINC001242997178 781912200 /nfs/dbraw/zinc/91/22/00/781912200.db2.gz YBWBTIJNXQLWTN-UHFFFAOYSA-N 2 0 299.418 2.546 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000594520647 349441143 /nfs/dbraw/zinc/44/11/43/349441143.db2.gz KCRYMRXATFWBBY-KFWWJZLASA-N 2 0 298.471 2.673 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353494664 282083836 /nfs/dbraw/zinc/08/38/36/282083836.db2.gz DJBVACZEWMDFLQ-HNNXBMFYSA-N 2 0 278.444 2.963 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000594612694 349463181 /nfs/dbraw/zinc/46/31/81/349463181.db2.gz GFMYWLWQKQNDRJ-IYBDPMFKSA-N 2 0 278.465 2.850 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC(=O)OC(C)C)C(C)C)CC1 ZINC000594621831 349464607 /nfs/dbraw/zinc/46/46/07/349464607.db2.gz BEMADCCGXYMHLS-INIZCTEOSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000124483399 187139850 /nfs/dbraw/zinc/13/98/50/187139850.db2.gz RFWUHHVRQDYWJY-UMVBOHGHSA-N 2 0 280.387 2.665 20 0 CFADRP CSCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594922125 349509721 /nfs/dbraw/zinc/50/97/21/349509721.db2.gz JRFKQHFVLAVEBJ-UHFFFAOYSA-N 2 0 276.409 2.500 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127725638 187329596 /nfs/dbraw/zinc/32/95/96/187329596.db2.gz PCAGLLGNDGZKRW-PBHICJAKSA-N 2 0 293.430 2.502 20 0 CFADRP CC(C)CSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594939311 349519949 /nfs/dbraw/zinc/51/99/49/349519949.db2.gz VCKUBNLJBUCWHU-UHFFFAOYSA-N 2 0 290.436 2.746 20 0 CFADRP Cn1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000124905546 187160979 /nfs/dbraw/zinc/16/09/79/187160979.db2.gz BCAQJGDBRNNPRN-LJQANCHMSA-N 2 0 297.446 2.679 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000595052059 349565899 /nfs/dbraw/zinc/56/58/99/349565899.db2.gz QJVPAENPNCXJRS-LSDHHAIUSA-N 2 0 298.471 2.676 20 0 CFADRP C[C@H](CSCCF)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000595042131 349560777 /nfs/dbraw/zinc/56/07/77/349560777.db2.gz JMIOUFXWPWIQSD-CYBMUJFWSA-N 2 0 276.465 2.789 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000595098172 349581176 /nfs/dbraw/zinc/58/11/76/349581176.db2.gz BOFQIYWMOILDCO-KBPBESRZSA-N 2 0 296.455 2.571 20 0 CFADRP CCSC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000595097691 349581484 /nfs/dbraw/zinc/58/14/84/349581484.db2.gz CLDIRRVITLLRMF-LBPRGKRZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@@H](C(=O)OC(C)(C)C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504454 349644191 /nfs/dbraw/zinc/64/41/91/349644191.db2.gz JOKAIHKNIODDQE-WMLDXEAASA-N 2 0 296.455 2.524 20 0 CFADRP CC[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504455 349644532 /nfs/dbraw/zinc/64/45/32/349644532.db2.gz JOKAIHKNIODDQE-YOEHRIQHSA-N 2 0 296.455 2.524 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000354155375 282188178 /nfs/dbraw/zinc/18/81/78/282188178.db2.gz LRNAHPZEMJACFL-OLZOCXBDSA-N 2 0 279.815 2.964 20 0 CFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)CCC[NH3+] ZINC000415018548 529540500 /nfs/dbraw/zinc/54/05/00/529540500.db2.gz HCUAMVUEQYEOCX-HIFRSBDPSA-N 2 0 294.439 2.742 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414832173 529545010 /nfs/dbraw/zinc/54/50/10/529545010.db2.gz FAECBCMEWZDMGL-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414899027 529545170 /nfs/dbraw/zinc/54/51/70/529545170.db2.gz GPQNBPOKOMDRQH-INIZCTEOSA-N 2 0 260.425 2.987 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c[nH]c21 ZINC000422915821 529554409 /nfs/dbraw/zinc/55/44/09/529554409.db2.gz ZETYQTYBMGMBNO-CHWSQXEVSA-N 2 0 273.424 2.988 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245830356 282194702 /nfs/dbraw/zinc/19/47/02/282194702.db2.gz BQKOBJKBUAKCRU-UYJHQMFVSA-N 2 0 280.456 2.652 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1C[C@@H]1C ZINC000414114641 529584699 /nfs/dbraw/zinc/58/46/99/529584699.db2.gz LXKQLYTUODFVGY-OTRWWLKZSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000423251692 529606363 /nfs/dbraw/zinc/60/63/63/529606363.db2.gz SKTJUMCTCFRVDF-DOMZBBRYSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000422699189 529606812 /nfs/dbraw/zinc/60/68/12/529606812.db2.gz CLMAIMLBAFUUCK-IRXDYDNUSA-N 2 0 260.425 2.966 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(F)cc1C)[C@@H]1CCC[NH2+]1 ZINC000422865716 529607225 /nfs/dbraw/zinc/60/72/25/529607225.db2.gz PKBCPIGSZGWPTO-HOTGVXAUSA-N 2 0 264.388 2.797 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000423269897 529610432 /nfs/dbraw/zinc/61/04/32/529610432.db2.gz HGYAPHIUTZERKQ-WFASDCNBSA-N 2 0 250.386 2.591 20 0 CFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414800594 529595445 /nfs/dbraw/zinc/59/54/45/529595445.db2.gz SETBFBIIFYFCIG-UKRRQHHQSA-N 2 0 291.439 2.539 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000071029477 346919798 /nfs/dbraw/zinc/91/97/98/346919798.db2.gz MGOWDIAVWFTVSU-UHFFFAOYSA-N 2 0 258.409 2.736 20 0 CFADRP CCc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422753164 529630022 /nfs/dbraw/zinc/63/00/22/529630022.db2.gz IBLMNZDGRRBYKG-SJPCQFCGSA-N 2 0 258.409 2.664 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422855077 529656133 /nfs/dbraw/zinc/65/61/33/529656133.db2.gz DILFWTHNUWDYJI-BZUAXINKSA-N 2 0 294.464 2.557 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CC=CCC1 ZINC000355213970 282215898 /nfs/dbraw/zinc/21/58/98/282215898.db2.gz RYCQPPRWAISQQJ-HZMVEIRTSA-N 2 0 278.440 2.526 20 0 CFADRP C[C@@H](CN[C@H](c1ncc[nH]1)c1ccccc1)[N@H+](C)C1CC1 ZINC000126731478 187258951 /nfs/dbraw/zinc/25/89/51/187258951.db2.gz UDLCBMVBRIIZDH-BBRMVZONSA-N 2 0 284.407 2.571 20 0 CFADRP C[C@@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)[N@H+](C)C1CC1 ZINC000126731910 187259143 /nfs/dbraw/zinc/25/91/43/187259143.db2.gz UDLCBMVBRIIZDH-XJKSGUPXSA-N 2 0 284.407 2.571 20 0 CFADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000078695686 282256947 /nfs/dbraw/zinc/25/69/47/282256947.db2.gz CAMFPLAVZIKRCI-ZDUSSCGKSA-N 2 0 273.355 2.904 20 0 CFADRP CCc1ccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422731206 529709126 /nfs/dbraw/zinc/70/91/26/529709126.db2.gz NCZPTKYBLPJTTH-MAUKXSAKSA-N 2 0 291.483 2.959 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000423023753 290055221 /nfs/dbraw/zinc/05/52/21/290055221.db2.gz KMYPZGUWRPMXMD-BYNSBNAKSA-N 2 0 268.445 2.700 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000422992489 282272886 /nfs/dbraw/zinc/27/28/86/282272886.db2.gz CRSUKOSANBDKDK-BPUTZDHNSA-N 2 0 270.461 2.948 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000423211255 529728925 /nfs/dbraw/zinc/72/89/25/529728925.db2.gz KRKQBYNVAKZBPP-PWSUYJOCSA-N 2 0 267.442 2.664 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000423492176 529730131 /nfs/dbraw/zinc/73/01/31/529730131.db2.gz LZMBRICCFYMFOD-WCQGTBRESA-N 2 0 267.442 2.792 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)C[NH2+]C)CCC2 ZINC000423255509 529747486 /nfs/dbraw/zinc/74/74/86/529747486.db2.gz AGOIKFPWNGHQCP-MNOVXSKESA-N 2 0 267.442 2.528 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)CCC2 ZINC000423255510 529747513 /nfs/dbraw/zinc/74/75/13/529747513.db2.gz AGOIKFPWNGHQCP-QWRGUYRKSA-N 2 0 267.442 2.528 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414790371 529753164 /nfs/dbraw/zinc/75/31/64/529753164.db2.gz ZRIDOCDQYYWJNQ-QWHCGFSZSA-N 2 0 279.453 2.527 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668236263 539340066 /nfs/dbraw/zinc/34/00/66/539340066.db2.gz FWZJEXHQOMPNRD-HJOIGYKYSA-N 2 0 288.435 2.918 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353623622 282960600 /nfs/dbraw/zinc/96/06/00/282960600.db2.gz OMUQESAETQRPQE-CQSZACIVSA-N 2 0 288.501 2.609 20 0 CFADRP C[NH+](C)C1(CNc2cc[nH+]c3ccccc23)CCOCC1 ZINC000072947457 346952413 /nfs/dbraw/zinc/95/24/13/346952413.db2.gz CHMIRGWEMRABHV-UHFFFAOYSA-N 2 0 285.391 2.758 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126931372 187270963 /nfs/dbraw/zinc/27/09/63/187270963.db2.gz ZNMMHBNXFXNUHL-DGCLKSJQSA-N 2 0 258.365 2.910 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccc(F)cc1 ZINC000128034514 187347398 /nfs/dbraw/zinc/34/73/98/187347398.db2.gz OFUOWXZXHHDHCU-VMUDFCTBSA-N 2 0 294.414 2.911 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348089312 539367414 /nfs/dbraw/zinc/36/74/14/539367414.db2.gz USIGHKDZLWSIKX-CVEARBPZSA-N 2 0 250.430 2.885 20 0 CFADRP COCC[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605536 539380998 /nfs/dbraw/zinc/38/09/98/539380998.db2.gz VZNBVQHFGOHYAY-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000423198459 529971572 /nfs/dbraw/zinc/97/15/72/529971572.db2.gz FYTZEEQETQAVEA-ZDUSSCGKSA-N 2 0 283.213 2.636 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000075007875 347047464 /nfs/dbraw/zinc/04/74/64/347047464.db2.gz FPVOBFMERDRKOZ-MRXNPFEDSA-N 2 0 280.456 2.918 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414859365 529970971 /nfs/dbraw/zinc/97/09/71/529970971.db2.gz MQYXYDKTCMVJOB-UHFFFAOYSA-N 2 0 263.772 2.587 20 0 CFADRP C[NH2+]CCC[NH2+]CCCc1c(F)cccc1Cl ZINC000414858295 529971111 /nfs/dbraw/zinc/97/11/11/529971111.db2.gz IWHQRZWJAUSZCE-UHFFFAOYSA-N 2 0 258.768 2.611 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414858713 529971197 /nfs/dbraw/zinc/97/11/97/529971197.db2.gz KTQPAMWLJDBUOS-LBPRGKRZSA-N 2 0 297.830 2.565 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423198693 529971295 /nfs/dbraw/zinc/97/12/95/529971295.db2.gz HHRYERIKHORXIP-QMMMGPOBSA-N 2 0 277.231 2.771 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348318541 539390987 /nfs/dbraw/zinc/39/09/87/539390987.db2.gz YMYUHUNGLXPDAN-ILXRZTDVSA-N 2 0 250.430 2.885 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348297574 539391168 /nfs/dbraw/zinc/39/11/68/539391168.db2.gz ZRPDWGLNHGSFJX-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000414838671 529985258 /nfs/dbraw/zinc/98/52/58/529985258.db2.gz LKEWRPTWVGAACO-SNVBAGLBSA-N 2 0 274.330 2.959 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423279990 529985365 /nfs/dbraw/zinc/98/53/65/529985365.db2.gz TXUNOADOLIRVCU-VQCLRJIVSA-N 2 0 268.445 2.702 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC000414831319 529985384 /nfs/dbraw/zinc/98/53/84/529985384.db2.gz CXMQODLWZDJPID-CQSZACIVSA-N 2 0 294.439 2.675 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414849196 529985389 /nfs/dbraw/zinc/98/53/89/529985389.db2.gz XRHFBDGPZCHGJZ-CQSZACIVSA-N 2 0 269.392 2.694 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414848362 529985655 /nfs/dbraw/zinc/98/56/55/529985655.db2.gz WUTGKWMWZFPTDM-NEPJUHHUSA-N 2 0 297.830 2.502 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423280337 529985950 /nfs/dbraw/zinc/98/59/50/529985950.db2.gz UOSSJZWUJCTNKZ-ZIAGYGMSSA-N 2 0 286.423 2.687 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423281415 529986194 /nfs/dbraw/zinc/98/61/94/529986194.db2.gz VKZGJFDSKIBGEJ-GHMZBOCLSA-N 2 0 272.339 2.794 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423280029 529986349 /nfs/dbraw/zinc/98/63/49/529986349.db2.gz UCFUWKPGHABOJQ-ABAIWWIYSA-N 2 0 291.395 2.676 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(C)c(Br)s1 ZINC000414829049 529998756 /nfs/dbraw/zinc/99/87/56/529998756.db2.gz AHFBUSYNQXQCCA-QMMMGPOBSA-N 2 0 291.258 2.764 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423269904 529999886 /nfs/dbraw/zinc/99/98/86/529999886.db2.gz HHWWYXYRGIQZLV-UONOGXRCSA-N 2 0 264.413 2.980 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000423284351 529999908 /nfs/dbraw/zinc/99/99/08/529999908.db2.gz YDXIXSKLPSDKDA-WCQYABFASA-N 2 0 280.412 2.518 20 0 CFADRP C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC([NH3+])C1 ZINC000414777771 529992731 /nfs/dbraw/zinc/99/27/31/529992731.db2.gz OUGURCPCDSLLMM-UHFFFAOYSA-N 2 0 267.376 2.670 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414112324 530047584 /nfs/dbraw/zinc/04/75/84/530047584.db2.gz XXYSMDANHLLJJM-LSDHHAIUSA-N 2 0 280.456 2.820 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423254912 282965205 /nfs/dbraw/zinc/96/52/05/282965205.db2.gz ZXDDPBHRSKJKGI-CABZTGNLSA-N 2 0 284.325 2.680 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000079515494 539426740 /nfs/dbraw/zinc/42/67/40/539426740.db2.gz MRKBWILTGNEOBK-KRWDZBQOSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1F ZINC000127367684 187300317 /nfs/dbraw/zinc/30/03/17/187300317.db2.gz MUQLTIMTUJQLNI-MJBXVCDLSA-N 2 0 280.387 2.665 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000127455308 187307370 /nfs/dbraw/zinc/30/73/70/187307370.db2.gz FTQKUTDBQUYXTR-IXYNUQLISA-N 2 0 294.414 2.911 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000152866749 232218735 /nfs/dbraw/zinc/21/87/35/232218735.db2.gz CSIIWJKACWFGSR-OLZOCXBDSA-N 2 0 292.398 2.969 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH+](C2CCOCC2)CC1 ZINC000668442036 539490422 /nfs/dbraw/zinc/49/04/22/539490422.db2.gz ZCDNYHLUOJYEHT-NJAFHUGGSA-N 2 0 292.467 2.656 20 0 CFADRP COC[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000075625753 347088519 /nfs/dbraw/zinc/08/85/19/347088519.db2.gz VYBLCFBEUNOXMZ-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000123725954 539505363 /nfs/dbraw/zinc/50/53/63/539505363.db2.gz SHYUAAQDXXVGRV-HNNXBMFYSA-N 3 0 289.467 2.568 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ncc(CC)s2)CC1 ZINC000130187580 539502589 /nfs/dbraw/zinc/50/25/89/539502589.db2.gz WLZISEJFOMOZCF-UHFFFAOYSA-N 2 0 281.469 2.712 20 0 CFADRP c1ccc2c(c1)C[NH+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000123961274 539513486 /nfs/dbraw/zinc/51/34/86/539513486.db2.gz WDNVLMAHFUGHGA-UHFFFAOYSA-N 2 0 264.372 2.848 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000229937723 539521068 /nfs/dbraw/zinc/52/10/68/539521068.db2.gz RUVCFQLAMQHRMB-INIZCTEOSA-N 2 0 273.424 2.781 20 0 CFADRP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380592 232359512 /nfs/dbraw/zinc/35/95/12/232359512.db2.gz KYUCBXFEIXLKQD-MRXNPFEDSA-N 2 0 289.467 2.705 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCCF)CN1Cc1ccccc1 ZINC000090189470 539527302 /nfs/dbraw/zinc/52/73/02/539527302.db2.gz HKXHITFAFZBLMM-HNNXBMFYSA-N 2 0 264.388 2.989 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090218395 539527912 /nfs/dbraw/zinc/52/79/12/539527912.db2.gz PLTHXQACIXKTDF-UAGQMJEPSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)(C)CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000668488860 539528921 /nfs/dbraw/zinc/52/89/21/539528921.db2.gz GUJQPCNSUYVZCF-KRWDZBQOSA-N 2 0 290.451 2.779 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C[C@@H]1OC ZINC000344030977 282454157 /nfs/dbraw/zinc/45/41/57/282454157.db2.gz ZYRWKRAMAIRWOC-MJBXVCDLSA-N 2 0 256.434 2.510 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000037644240 346332239 /nfs/dbraw/zinc/33/22/39/346332239.db2.gz ZTASRPJGYWJMEZ-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP CC(C)[NH2+]CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037618555 346332770 /nfs/dbraw/zinc/33/27/70/346332770.db2.gz DMLSMTIZPHVKLV-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000044517563 346394915 /nfs/dbraw/zinc/39/49/15/346394915.db2.gz SJBIPBRXXUNQGY-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000075685579 347092714 /nfs/dbraw/zinc/09/27/14/347092714.db2.gz JCVABEMDSMUCRD-GOSISDBHSA-N 2 0 290.451 2.601 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000047977851 346462943 /nfs/dbraw/zinc/46/29/43/346462943.db2.gz TYYPWBNOPZTXIX-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cccnc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352535261 302235356 /nfs/dbraw/zinc/23/53/56/302235356.db2.gz OHSCZLLULCAARB-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP CC(C)[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCC1 ZINC000066245142 346751484 /nfs/dbraw/zinc/75/14/84/346751484.db2.gz MQUYRIQJVXUBGA-HNNXBMFYSA-N 2 0 274.412 2.743 20 0 CFADRP CC(C)n1cc(C[NH2+]CCCCC[NH+]2CCCCC2)nn1 ZINC000342100493 535060934 /nfs/dbraw/zinc/06/09/34/535060934.db2.gz KCOZHCBDXIAFJY-UHFFFAOYSA-N 2 0 293.459 2.605 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC)CC2)C12CCC2 ZINC000087710708 347498508 /nfs/dbraw/zinc/49/85/08/347498508.db2.gz BBDSABYDPMYJNO-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000089622072 347523637 /nfs/dbraw/zinc/52/36/37/347523637.db2.gz BRGNDBNMYOIMQF-USXIJHARSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000090076552 347540029 /nfs/dbraw/zinc/54/00/29/347540029.db2.gz WWIXKNXBBBHBKK-CJNGLKHVSA-N 2 0 272.392 2.905 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090948632 347563887 /nfs/dbraw/zinc/56/38/87/347563887.db2.gz HGJOZLXROHIHCA-OCCSQVGLSA-N 2 0 295.496 2.913 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000091284509 347581563 /nfs/dbraw/zinc/58/15/63/347581563.db2.gz WRJOMIZVGYCEHV-YOEHRIQHSA-N 2 0 273.424 2.853 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090577610 347551954 /nfs/dbraw/zinc/55/19/54/347551954.db2.gz PZRVTXPDEDJXLC-MAUKXSAKSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000094009722 347689957 /nfs/dbraw/zinc/68/99/57/347689957.db2.gz WVARHXQVSGKNOL-SNVBAGLBSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000124625995 347825108 /nfs/dbraw/zinc/82/51/08/347825108.db2.gz OEJPSQYPRMFIJU-YPMHNXCESA-N 2 0 268.788 2.530 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccs1 ZINC000126163719 347832187 /nfs/dbraw/zinc/83/21/87/347832187.db2.gz OPBGOHLBMREDFC-NEPJUHHUSA-N 2 0 252.427 2.885 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccs1 ZINC000126163039 347832245 /nfs/dbraw/zinc/83/22/45/347832245.db2.gz OPBGOHLBMREDFC-NWDGAFQWSA-N 2 0 252.427 2.885 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000396468673 539579228 /nfs/dbraw/zinc/57/92/28/539579228.db2.gz VLWQIBSKDDCMBG-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cscn1 ZINC000396452140 539579307 /nfs/dbraw/zinc/57/93/07/539579307.db2.gz VEJQCKHPTGLHRB-QWRGUYRKSA-N 2 0 253.415 2.524 20 0 CFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000130305073 347869321 /nfs/dbraw/zinc/86/93/21/347869321.db2.gz UQMWEAMQVCUKHE-XJKSGUPXSA-N 2 0 289.423 2.737 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000129470210 347862286 /nfs/dbraw/zinc/86/22/86/347862286.db2.gz IAQQLVZCNCPNHI-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000090545780 539590396 /nfs/dbraw/zinc/59/03/96/539590396.db2.gz VVFNGZZIHYWWEO-UAGQMJEPSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000134045697 347895279 /nfs/dbraw/zinc/89/52/79/347895279.db2.gz ISLYALBJRPLWSZ-WBVHZDCISA-N 2 0 260.425 2.797 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc(Cl)c1F ZINC000136060731 347909367 /nfs/dbraw/zinc/90/93/67/347909367.db2.gz SDRYYGOKAORSQC-ONGXEEELSA-N 2 0 256.752 2.791 20 0 CFADRP CC[NH+](CC)CC1CCN(Cc2nnc(C3CC3)o2)CC1 ZINC000138345822 347916167 /nfs/dbraw/zinc/91/61/67/347916167.db2.gz WMEWDOREBLNUHP-UHFFFAOYSA-N 2 0 292.427 2.501 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(C)CC1 ZINC000150994400 347958539 /nfs/dbraw/zinc/95/85/39/347958539.db2.gz XIDNCFMKTHLKBH-YMAMQOFZSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000158094872 348005501 /nfs/dbraw/zinc/00/55/01/348005501.db2.gz OFFILFWSCSJQAI-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](CC3CCCC3)CC2)C[C@H](C)O1 ZINC000171304715 348074237 /nfs/dbraw/zinc/07/42/37/348074237.db2.gz GZYCNWBRRHJSIH-HOTGVXAUSA-N 2 0 294.483 2.998 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222881439 348173795 /nfs/dbraw/zinc/17/37/95/348173795.db2.gz SDPKWVZVNKPADT-FGTMMUONSA-N 2 0 289.467 2.929 20 0 CFADRP CSC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000228017299 348192466 /nfs/dbraw/zinc/19/24/66/348192466.db2.gz FMGQJYVEASNQCO-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP c1cc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2[nH]1 ZINC000229634488 348202477 /nfs/dbraw/zinc/20/24/77/348202477.db2.gz HMZSJLKMANJTNV-AWEZNQCLSA-N 2 0 269.392 2.742 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCCCCC1 ZINC000237961726 348243714 /nfs/dbraw/zinc/24/37/14/348243714.db2.gz OVLXJMAPLFSIMJ-INIZCTEOSA-N 2 0 268.445 2.536 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250319024 348286928 /nfs/dbraw/zinc/28/69/28/348286928.db2.gz MWHIJJHTUXBARQ-RCCFBDPRSA-N 3 0 293.499 2.619 20 0 CFADRP c1ccc2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccnc2c1 ZINC000252667566 348297691 /nfs/dbraw/zinc/29/76/91/348297691.db2.gz LOFIPFVASUCVGO-HOTGVXAUSA-N 2 0 281.403 2.951 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000300410420 348368187 /nfs/dbraw/zinc/36/81/87/348368187.db2.gz HMXBJXKDUJJPCL-BPLDGKMQSA-N 2 0 270.486 2.981 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000310736630 348410542 /nfs/dbraw/zinc/41/05/42/348410542.db2.gz PLRCZGFEFWABNG-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)CCS[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413003803 233000309 /nfs/dbraw/zinc/00/03/09/233000309.db2.gz YDAVKTGCLNEDQE-OAHLLOKOSA-N 2 0 264.438 2.556 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC000396466789 348558780 /nfs/dbraw/zinc/55/87/80/348558780.db2.gz PUYJCRXQWFVIOM-GFCCVEGCSA-N 2 0 275.371 2.517 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC000400011301 348570793 /nfs/dbraw/zinc/57/07/93/348570793.db2.gz FCZYEHINHGEKMW-WNZFAQLISA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC000400011298 348571001 /nfs/dbraw/zinc/57/10/01/348571001.db2.gz FCZYEHINHGEKMW-NVDSNGLKSA-N 2 0 250.430 2.885 20 0 CFADRP CCc1cc(OC)ccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000584783628 348715760 /nfs/dbraw/zinc/71/57/60/348715760.db2.gz FZZITEQZVOQHOF-UHFFFAOYSA-N 2 0 276.424 2.818 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000584829911 348720277 /nfs/dbraw/zinc/72/02/77/348720277.db2.gz BFFNVHMHLZWDBF-RDJZCZTQSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000584714304 348707827 /nfs/dbraw/zinc/70/78/27/348707827.db2.gz HBVWJRBWDUVTNL-SWLSCSKDSA-N 2 0 259.397 2.832 20 0 CFADRP Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000092327449 539676088 /nfs/dbraw/zinc/67/60/88/539676088.db2.gz RFJIOVDPTWQABJ-GHMZBOCLSA-N 2 0 265.401 2.672 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000248147724 539674645 /nfs/dbraw/zinc/67/46/45/539674645.db2.gz QJKNIOQSGGTQGS-LRDDRELGSA-N 2 0 262.372 2.744 20 0 CFADRP c1ccc2cc(OCCC[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000590058106 348871471 /nfs/dbraw/zinc/87/14/71/348871471.db2.gz BRRNLPPNWUMVIK-QZTJIDSGSA-N 2 0 296.414 2.760 20 0 CFADRP c1csc(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000104261325 185947015 /nfs/dbraw/zinc/94/70/15/185947015.db2.gz SFQJNVBSMUXMIJ-HNNXBMFYSA-N 2 0 264.438 2.755 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000591578366 349031634 /nfs/dbraw/zinc/03/16/34/349031634.db2.gz WTZCUDWGHNMKGZ-XHSDSOJGSA-N 2 0 296.455 2.620 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000591578263 349031753 /nfs/dbraw/zinc/03/17/53/349031753.db2.gz IHUYSGHIFSYNFP-HOTGVXAUSA-N 2 0 290.407 2.656 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000414068080 233159367 /nfs/dbraw/zinc/15/93/67/233159367.db2.gz JMQATSQQKDIGRO-CABCVRRESA-N 2 0 278.444 2.583 20 0 CFADRP C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000127146504 539712386 /nfs/dbraw/zinc/71/23/86/539712386.db2.gz UBEXLVUSRRPHNR-VYDXJSESSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000414172499 233186489 /nfs/dbraw/zinc/18/64/89/233186489.db2.gz FIZFZMOUAVYHAB-OLZOCXBDSA-N 2 0 265.376 2.603 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)ccc12 ZINC000414177164 233187763 /nfs/dbraw/zinc/18/77/63/233187763.db2.gz IALGQCGXXFCIBZ-IXDOHACOSA-N 2 0 297.402 2.772 20 0 CFADRP CC[N@H+](CCSC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000592530016 349136989 /nfs/dbraw/zinc/13/69/89/349136989.db2.gz TVAXDQAWQRNLLX-UHFFFAOYSA-N 2 0 296.480 2.812 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000252438753 539730586 /nfs/dbraw/zinc/73/05/86/539730586.db2.gz GBVHQBVUOSSNLU-ZBFHGGJFSA-N 2 0 276.424 2.645 20 0 CFADRP OC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414343097 233231099 /nfs/dbraw/zinc/23/10/99/233231099.db2.gz QKLRVFVWRSKQMV-WBVHZDCISA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H]1SCC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000220585168 539753213 /nfs/dbraw/zinc/75/32/13/539753213.db2.gz ZCGIPNMTUBDWRY-TZMCWYRMSA-N 2 0 277.437 2.534 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000414517155 233278883 /nfs/dbraw/zinc/27/88/83/233278883.db2.gz YOUAXASSDYADJQ-HZPDHXFCSA-N 2 0 288.370 2.946 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414663420 233318560 /nfs/dbraw/zinc/31/85/60/233318560.db2.gz SBLWCQGNMZUXJG-ORQFMDKSSA-N 2 0 258.409 2.849 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414674662 233322400 /nfs/dbraw/zinc/32/24/00/233322400.db2.gz DYRXLMWFMNKLPZ-JKSUJKDBSA-N 2 0 276.424 2.694 20 0 CFADRP Cc1ccccc1N1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414677791 233322880 /nfs/dbraw/zinc/32/28/80/233322880.db2.gz JRSSVWRQSHYQMN-IAGOWNOFSA-N 2 0 287.451 2.505 20 0 CFADRP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000399145232 539768481 /nfs/dbraw/zinc/76/84/81/539768481.db2.gz VTLPMRDPHFFGJJ-XJKSGUPXSA-N 2 0 258.409 2.953 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704372 233333325 /nfs/dbraw/zinc/33/33/25/233333325.db2.gz NBTYNXIWYGXMPI-OWCLPIDISA-N 2 0 288.435 2.873 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSc1ccc(F)cc1 ZINC000131919996 539771513 /nfs/dbraw/zinc/77/15/13/539771513.db2.gz ARXCGKBHNRENDM-AAEUAGOBSA-N 2 0 268.401 2.729 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000414702594 233332588 /nfs/dbraw/zinc/33/25/88/233332588.db2.gz ICEPWKRPCXTMAR-MNOVXSKESA-N 2 0 286.341 2.924 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH3+] ZINC000414797355 233354642 /nfs/dbraw/zinc/35/46/42/233354642.db2.gz CQTJOENEGAHQKM-SNVBAGLBSA-N 2 0 274.330 2.963 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414797641 233355264 /nfs/dbraw/zinc/35/52/64/233355264.db2.gz PGCAAWUABPPVIA-OCCSQVGLSA-N 2 0 266.454 2.912 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414802755 233357430 /nfs/dbraw/zinc/35/74/30/233357430.db2.gz VWTDLNCOYDVUBS-AEFFLSMTSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1Br ZINC000414787259 233351495 /nfs/dbraw/zinc/35/14/95/233351495.db2.gz CCCYJNIPCYEGMN-OCCSQVGLSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000414805342 233359162 /nfs/dbraw/zinc/35/91/62/233359162.db2.gz ALWLXTAFMSETGI-VIFPVBQESA-N 2 0 298.312 2.738 20 0 CFADRP Cc1ccc2ncc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)n2c1 ZINC000414810482 233360590 /nfs/dbraw/zinc/36/05/90/233360590.db2.gz OGDAGPIZMYVONT-CQSZACIVSA-N 2 0 294.402 2.952 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])CC1CCOCC1 ZINC000414810654 233360679 /nfs/dbraw/zinc/36/06/79/233360679.db2.gz VMGRECHJQXZPGP-BPUTZDHNSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC000414809805 233361444 /nfs/dbraw/zinc/36/14/44/233361444.db2.gz HAHCMBKONDOPRI-NSHDSACASA-N 2 0 259.328 2.530 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414818090 233364592 /nfs/dbraw/zinc/36/45/92/233364592.db2.gz CRTQMUUXJLBPKA-NILFDRSVSA-N 2 0 250.361 2.789 20 0 CFADRP c1sc(-c2ccccc2)nc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827633 233368491 /nfs/dbraw/zinc/36/84/91/233368491.db2.gz HNHGETDMBLFPBY-ZDUSSCGKSA-N 2 0 287.432 2.899 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414829588 233369300 /nfs/dbraw/zinc/36/93/00/233369300.db2.gz LCWYLLAOOIHCTL-LBPRGKRZSA-N 2 0 297.240 2.847 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414831329 233370265 /nfs/dbraw/zinc/37/02/65/233370265.db2.gz NDQWGESBRJMGGX-KBPBESRZSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1F ZINC000105454180 186057596 /nfs/dbraw/zinc/05/75/96/186057596.db2.gz BTMKOYOUNDWPKC-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414840821 233373377 /nfs/dbraw/zinc/37/33/77/233373377.db2.gz NNNTZHNKWCAVMW-RDJZCZTQSA-N 2 0 290.451 2.996 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000105480731 186060470 /nfs/dbraw/zinc/06/04/70/186060470.db2.gz FEZWCELYTJWZTC-DZGCQCFKSA-N 2 0 292.423 2.524 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844782 233375622 /nfs/dbraw/zinc/37/56/22/233375622.db2.gz FEPOTCQIDODQKW-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844783 233376089 /nfs/dbraw/zinc/37/60/89/233376089.db2.gz FEPOTCQIDODQKW-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000414920929 233398884 /nfs/dbraw/zinc/39/88/84/233398884.db2.gz ZMGUVCVOGUSZCR-IUODEOHRSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414880020 233388126 /nfs/dbraw/zinc/38/81/26/233388126.db2.gz QGVUZMAWHIYMKF-JKSUJKDBSA-N 2 0 258.409 2.968 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C1CC1 ZINC000414892446 233390572 /nfs/dbraw/zinc/39/05/72/233390572.db2.gz PWFWOLDFDHLSGF-BBWFWOEESA-N 2 0 258.409 2.725 20 0 CFADRP Cc1ccc(-c2nc(C[NH2+]CCCC[NH3+])cs2)cc1 ZINC000414897155 233391530 /nfs/dbraw/zinc/39/15/30/233391530.db2.gz AZSPPLVTKYMHPH-UHFFFAOYSA-N 2 0 275.421 2.947 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[NH3+] ZINC000414897774 233392999 /nfs/dbraw/zinc/39/29/99/233392999.db2.gz CPHKUMNSSVUACL-UHFFFAOYSA-N 2 0 285.391 2.586 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904422 233393665 /nfs/dbraw/zinc/39/36/65/233393665.db2.gz LHZTYGILIZXJFZ-IAGOWNOFSA-N 2 0 294.414 2.505 20 0 CFADRP C[C@@]1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000414904772 233394094 /nfs/dbraw/zinc/39/40/94/233394094.db2.gz KPDALRISGOHBFN-OUMXJLHTSA-N 2 0 280.362 2.957 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414905155 233395175 /nfs/dbraw/zinc/39/51/75/233395175.db2.gz NZYLLFAJPAVLSH-OAHLLOKOSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCC[NH2+]C1 ZINC000414905287 233395219 /nfs/dbraw/zinc/39/52/19/233395219.db2.gz OJWFQJORCJUGQF-OAHLLOKOSA-N 2 0 284.350 2.767 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000414911344 233397359 /nfs/dbraw/zinc/39/73/59/233397359.db2.gz DVSMBGBGAONZRD-HOTGVXAUSA-N 2 0 274.408 2.835 20 0 CFADRP C[C@@]1(C[NH2+]CCCCOc2ccccc2)CCC[NH2+]C1 ZINC000414917396 233397806 /nfs/dbraw/zinc/39/78/06/233397806.db2.gz ROSUSESSBHZCOK-KRWDZBQOSA-N 2 0 276.424 2.825 20 0 CFADRP Fc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc(F)c1F ZINC000414849861 233377435 /nfs/dbraw/zinc/37/74/35/233377435.db2.gz MIRWQLVUBYZMBE-JTQLQIEISA-N 2 0 272.314 2.583 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414851975 233377692 /nfs/dbraw/zinc/37/76/92/233377692.db2.gz JTLKKDCLZGGXBJ-AAEUAGOBSA-N 2 0 284.350 2.766 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000414852442 233378153 /nfs/dbraw/zinc/37/81/53/233378153.db2.gz JZKDNPXAMCGNOY-JSGCOSHPSA-N 2 0 250.361 2.612 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340480666 282686045 /nfs/dbraw/zinc/68/60/45/282686045.db2.gz UCCVRNYFMLQZCL-INIZCTEOSA-N 2 0 290.455 2.653 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043218 180311149 /nfs/dbraw/zinc/31/11/49/180311149.db2.gz XBGBHZHZBPTAJD-UKRRQHHQSA-N 2 0 264.438 2.973 20 0 CFADRP CCSCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966297 350351260 /nfs/dbraw/zinc/35/12/60/350351260.db2.gz USGITUXQMHZITA-OLZOCXBDSA-N 2 0 258.475 2.981 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414990277 233427324 /nfs/dbraw/zinc/42/73/24/233427324.db2.gz IDVLPIPKIGNPQD-UONOGXRCSA-N 2 0 298.377 2.938 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000373710282 282687552 /nfs/dbraw/zinc/68/75/52/282687552.db2.gz DRDVPJGGXFAXIM-BRWVUGGUSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599074306 350371533 /nfs/dbraw/zinc/37/15/33/350371533.db2.gz PQLVEXHHIGDCPK-JSGCOSHPSA-N 2 0 274.449 2.684 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415044491 233445237 /nfs/dbraw/zinc/44/52/37/233445237.db2.gz STAMFNJSTRHKNO-VWYCJHECSA-N 2 0 252.324 2.825 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000415041076 233443762 /nfs/dbraw/zinc/44/37/62/233443762.db2.gz PNMLQFDMMZSRHF-GWCFXTLKSA-N 2 0 283.213 2.666 20 0 CFADRP CC(C)OC(=O)C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000600176371 350531610 /nfs/dbraw/zinc/53/16/10/350531610.db2.gz LTDRXADFIOIODW-HUUCEWRRSA-N 2 0 298.471 2.815 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000600176369 350532056 /nfs/dbraw/zinc/53/20/56/350532056.db2.gz LTDRXADFIOIODW-GJZGRUSLSA-N 2 0 298.471 2.815 20 0 CFADRP CSc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000110645174 186309203 /nfs/dbraw/zinc/30/92/03/186309203.db2.gz ZELXYJSJQJGZCX-GFCCVEGCSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000110648576 186309487 /nfs/dbraw/zinc/30/94/87/186309487.db2.gz POTWEEFVXOFKQG-CYBMUJFWSA-N 2 0 285.391 2.901 20 0 CFADRP Cc1cnn(CCCCC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000601061724 350655905 /nfs/dbraw/zinc/65/59/05/350655905.db2.gz AAAQBJRJYYJGLJ-UHFFFAOYSA-N 2 0 292.471 2.635 20 0 CFADRP COC1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309656580 539805297 /nfs/dbraw/zinc/80/52/97/539805297.db2.gz JRGWSXAJIKWAKA-AOCRQIFASA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000111237155 186373198 /nfs/dbraw/zinc/37/31/98/186373198.db2.gz DOKQZAQCTPIXIZ-LLVKDONJSA-N 2 0 292.814 2.547 20 0 CFADRP c1ccc2c(c1)cccc2CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000605575541 351254300 /nfs/dbraw/zinc/25/43/00/351254300.db2.gz DMBJPFPGVMJBMV-ROUUACIJSA-N 2 0 280.415 2.924 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3cccnc3c2)CC[N@@H+]1C ZINC000608061478 351392318 /nfs/dbraw/zinc/39/23/18/351392318.db2.gz VZVFJNZGRQAWRW-XJKSGUPXSA-N 2 0 269.392 2.807 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000565357445 290296330 /nfs/dbraw/zinc/29/63/30/290296330.db2.gz XYAPAPZOXIPGHJ-KGLIPLIRSA-N 2 0 262.397 2.654 20 0 CFADRP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000611367240 351675080 /nfs/dbraw/zinc/67/50/80/351675080.db2.gz WSKLHMKJJHARTG-HUUCEWRRSA-N 2 0 296.455 2.715 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000611367411 351675492 /nfs/dbraw/zinc/67/54/92/351675492.db2.gz FIHCAIATFRPGOL-KBPBESRZSA-N 2 0 284.444 2.571 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCCC(=O)OC(C)(C)C)CC1 ZINC000611714317 351727765 /nfs/dbraw/zinc/72/77/65/351727765.db2.gz FETDITKWJPDVBE-UHFFFAOYSA-N 2 0 298.471 2.961 20 0 CFADRP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CC1(C)C ZINC000668814647 539821227 /nfs/dbraw/zinc/82/12/27/539821227.db2.gz QCFQNPRSDDULAB-CYBMUJFWSA-N 2 0 270.380 2.745 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@@H]1CCOC1 ZINC000121787257 186995710 /nfs/dbraw/zinc/99/57/10/186995710.db2.gz LMNJCZSJDJTNMY-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000121866791 187001313 /nfs/dbraw/zinc/00/13/13/187001313.db2.gz GOFWOHLLBHSMET-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000122773713 187050421 /nfs/dbraw/zinc/05/04/21/187050421.db2.gz UUMOSKBGDMHBPQ-CYBMUJFWSA-N 2 0 279.403 2.993 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000122773246 187050443 /nfs/dbraw/zinc/05/04/43/187050443.db2.gz BATIQAAJCNTZOY-OAGGEKHMSA-N 2 0 276.424 2.835 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000122866142 187056472 /nfs/dbraw/zinc/05/64/72/187056472.db2.gz VYQYIPBVHWODDS-JSGCOSHPSA-N 2 0 296.842 2.963 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000271485017 191165495 /nfs/dbraw/zinc/16/54/95/191165495.db2.gz JMODAYHIMHYIBR-QGTPRVQTSA-N 2 0 288.435 2.715 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000226540261 539863445 /nfs/dbraw/zinc/86/34/45/539863445.db2.gz ZGIHOBIYKZKICQ-ARFHVFGLSA-N 2 0 268.445 2.798 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292039084 198141904 /nfs/dbraw/zinc/14/19/04/198141904.db2.gz AHFVLLGRDBYASG-QGZVFWFLSA-N 2 0 258.409 2.777 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC000292060673 198148215 /nfs/dbraw/zinc/14/82/15/198148215.db2.gz CMVAWQYLKYIIBM-QGZVFWFLSA-N 2 0 258.409 2.647 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292069318 198151830 /nfs/dbraw/zinc/15/18/30/198151830.db2.gz DJMHRJQRJHIXCL-RDJZCZTQSA-N 2 0 258.409 2.818 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000617216787 352518215 /nfs/dbraw/zinc/51/82/15/352518215.db2.gz UDTUXMNBHUXQCC-OAHLLOKOSA-N 2 0 298.471 2.630 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(CCOc3ccc(Cl)cc3)C2)C1 ZINC000292169405 198189919 /nfs/dbraw/zinc/18/99/19/198189919.db2.gz PLFANSHGLJEHNM-INIZCTEOSA-N 2 0 294.826 2.746 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357720 539948470 /nfs/dbraw/zinc/94/84/70/539948470.db2.gz BCKGZWNRRWNREJ-CQSZACIVSA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000050597676 539950589 /nfs/dbraw/zinc/95/05/89/539950589.db2.gz GDKHVMWFLCQXTP-SJORKVTESA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)c1ccccc1 ZINC000422867211 295852446 /nfs/dbraw/zinc/85/24/46/295852446.db2.gz RVJNUVUSDQJDLU-GJZGRUSLSA-N 2 0 263.429 2.618 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000153142783 539966742 /nfs/dbraw/zinc/96/67/42/539966742.db2.gz CWYKTYISVINREW-XIRDDKMYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962261 295854505 /nfs/dbraw/zinc/85/45/05/295854505.db2.gz CJHHWRIOVLAJMC-HOCLYGCPSA-N 2 0 278.440 2.506 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000154487198 188144840 /nfs/dbraw/zinc/14/48/40/188144840.db2.gz MBQAUUKLFUKQEM-JQHSSLGASA-N 2 0 290.451 2.648 20 0 CFADRP C[N@H+](C/C=C/c1ccccc1)CC1CC[NH+](C)CC1 ZINC000154743916 188158638 /nfs/dbraw/zinc/15/86/38/188158638.db2.gz MTQQQEYWRZXKJO-RMKNXTFCSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H](CC[N@@H+]1C[C@H](C)[C@H](C)C1)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000431598702 539983914 /nfs/dbraw/zinc/98/39/14/539983914.db2.gz XIUCEZDTBVWUOQ-QRJUGERDSA-N 2 0 252.446 2.941 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155810113 188228826 /nfs/dbraw/zinc/22/88/26/188228826.db2.gz RXQLUSIYAJVRIX-HZPDHXFCSA-N 2 0 283.419 2.927 20 0 CFADRP CCCc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)s1 ZINC000621356398 353335326 /nfs/dbraw/zinc/33/53/26/353335326.db2.gz LQQCGZQTAZQGSX-LBPRGKRZSA-N 2 0 254.443 2.988 20 0 CFADRP CCCc1ccc(C[NH2+]C[C@H]2CCCN2C)s1 ZINC000621331164 353325650 /nfs/dbraw/zinc/32/56/50/353325650.db2.gz TUIBABADADFZAR-GFCCVEGCSA-N 2 0 252.427 2.884 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000621779884 353423231 /nfs/dbraw/zinc/42/32/31/353423231.db2.gz KLKKMJGVMHXVGF-XIRDDKMYSA-N 2 0 256.393 2.877 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000622043862 353468674 /nfs/dbraw/zinc/46/86/74/353468674.db2.gz NYZSJCZZRAJTFU-MWLCHTKSSA-N 2 0 269.339 2.545 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000622045461 353469191 /nfs/dbraw/zinc/46/91/91/353469191.db2.gz WGTPDPJWKKZTBI-RWMBFGLXSA-N 2 0 250.386 2.514 20 0 CFADRP COc1cc2ccccc2cc1C[NH2+]CCc1cncn1C ZINC000623085776 353584841 /nfs/dbraw/zinc/58/48/41/353584841.db2.gz FAGLUEFZLAJDQV-UHFFFAOYSA-N 2 0 295.386 2.914 20 0 CFADRP Cn1cncc1CC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000623085757 353585067 /nfs/dbraw/zinc/58/50/67/353585067.db2.gz CSCGITSRABCHPJ-UHFFFAOYSA-N 2 0 290.367 2.501 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623347998 353621210 /nfs/dbraw/zinc/62/12/10/353621210.db2.gz ODSOSLJWSNEWGW-KRWDZBQOSA-N 2 0 289.467 2.711 20 0 CFADRP CC(C)Oc1ncccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623359619 353624767 /nfs/dbraw/zinc/62/47/67/353624767.db2.gz YIUAFLRSUFQJRW-HNNXBMFYSA-N 2 0 291.439 2.831 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)CC1(C)C ZINC000623374700 353629335 /nfs/dbraw/zinc/62/93/35/353629335.db2.gz MBRHQQZEQZKADL-MRXNPFEDSA-N 2 0 298.434 2.835 20 0 CFADRP Cc1csc([C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623398730 353634697 /nfs/dbraw/zinc/63/46/97/353634697.db2.gz NKLDOVNWUFASSR-NEPJUHHUSA-N 2 0 267.442 2.975 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623409547 353636409 /nfs/dbraw/zinc/63/64/09/353636409.db2.gz GPWFELBWKFGOII-OWCLPIDISA-N 2 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)CC1(C)C ZINC000623423799 353640475 /nfs/dbraw/zinc/64/04/75/353640475.db2.gz RWARJNPWOAOKDS-CQSZACIVSA-N 2 0 268.445 2.534 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438424 353644580 /nfs/dbraw/zinc/64/45/80/353644580.db2.gz ZTNVRXOXEFWMOA-IRXDYDNUSA-N 2 0 290.451 2.707 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438422 353644995 /nfs/dbraw/zinc/64/49/95/353644995.db2.gz ZTNVRXOXEFWMOA-DLBZAZTESA-N 2 0 290.451 2.707 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)CC1(C)C ZINC000623443331 353646501 /nfs/dbraw/zinc/64/65/01/353646501.db2.gz ZSOFUHZUDFCRRV-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623469031 353650784 /nfs/dbraw/zinc/65/07/84/353650784.db2.gz NJYGVFQVQGRYRJ-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@@H+]1CC[C@@H](NCc2ccc(Cl)o2)CC1(C)C ZINC000623339439 353618087 /nfs/dbraw/zinc/61/80/87/353618087.db2.gz ZWNXCALMKDAWBI-SNVBAGLBSA-N 2 0 256.777 2.895 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000623495750 353657530 /nfs/dbraw/zinc/65/75/30/353657530.db2.gz QXRWGGLMBINLNK-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623527394 353664103 /nfs/dbraw/zinc/66/41/03/353664103.db2.gz RJXOZJJYNLNMDE-LSDHHAIUSA-N 2 0 269.477 2.569 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC000623528927 353665265 /nfs/dbraw/zinc/66/52/65/353665265.db2.gz LVRBAGHTZQOLDX-HOTGVXAUSA-N 2 0 288.435 2.761 20 0 CFADRP COc1ccc(CNC[C@@H](C)C[NH+](C)C)cc1OC1CC1 ZINC000623530206 353665335 /nfs/dbraw/zinc/66/53/35/353665335.db2.gz QEGXQKAUCSNJNH-CYBMUJFWSA-N 2 0 292.423 2.524 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623538859 353667650 /nfs/dbraw/zinc/66/76/50/353667650.db2.gz XWEMHJINGLVKOA-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623544690 353668552 /nfs/dbraw/zinc/66/85/52/353668552.db2.gz GBMSAHQXJROKJN-KCXAZCMYSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)CC1(C)C ZINC000623570372 353674550 /nfs/dbraw/zinc/67/45/50/353674550.db2.gz QARGBLWAFRZGSO-JKSUJKDBSA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2cnc(C3CC3)s2)C1 ZINC000623656264 353696800 /nfs/dbraw/zinc/69/68/00/353696800.db2.gz QLTAMQACGMDKQG-LBPRGKRZSA-N 2 0 279.453 2.842 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2CC=CC2)cc1 ZINC000623613592 353686399 /nfs/dbraw/zinc/68/63/99/353686399.db2.gz HLBXNKYOAZDUDJ-UHFFFAOYSA-N 2 0 274.408 2.683 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623484525 353654345 /nfs/dbraw/zinc/65/43/45/353654345.db2.gz VUMAQTGFFXGTLA-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP COCC[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623487653 353655209 /nfs/dbraw/zinc/65/52/09/353655209.db2.gz LOUCGWKSUGZGHP-UONOGXRCSA-N 2 0 280.412 2.820 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623491323 353655805 /nfs/dbraw/zinc/65/58/05/353655805.db2.gz ONQYSLIAEVJTDY-UHFFFAOYSA-N 2 0 289.423 2.616 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000623657409 353698122 /nfs/dbraw/zinc/69/81/22/353698122.db2.gz QAZRENODLOLVOK-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP C/C=C\C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623739137 353714813 /nfs/dbraw/zinc/71/48/13/353714813.db2.gz JTPBOLJDOLXJJI-IHWYPQMZSA-N 2 0 274.408 2.827 20 0 CFADRP C/C=C/C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000623739042 353715000 /nfs/dbraw/zinc/71/50/00/353715000.db2.gz GKYBRSUFHPRUSK-SNAWJCMRSA-N 2 0 287.451 2.883 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000623807728 353729006 /nfs/dbraw/zinc/72/90/06/353729006.db2.gz QGJRFCAUBLXFRS-XLNGHYISSA-N 2 0 274.408 2.589 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623887903 353749968 /nfs/dbraw/zinc/74/99/68/353749968.db2.gz QSAFSOXKNBXTDH-GFCCVEGCSA-N 2 0 267.442 2.834 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000271714257 191286648 /nfs/dbraw/zinc/28/66/48/191286648.db2.gz VNTPYUJIFVGNON-UKRRQHHQSA-N 2 0 262.397 2.830 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3scnc32)C1 ZINC000623999002 353780034 /nfs/dbraw/zinc/78/00/34/353780034.db2.gz IALZOJIKEQROED-QWHCGFSZSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623863976 353743769 /nfs/dbraw/zinc/74/37/69/353743769.db2.gz CNMQQIZGOMCHOS-YVSFHVDLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000624077259 353798853 /nfs/dbraw/zinc/79/88/53/353798853.db2.gz BXPDZODVIIVYIZ-QAPCUYQASA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H](CCCCO)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624077797 353799548 /nfs/dbraw/zinc/79/95/48/353799548.db2.gz CENITWGNPLBGRO-GDBMZVCRSA-N 2 0 268.445 2.534 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000624121978 353811131 /nfs/dbraw/zinc/81/11/31/353811131.db2.gz HEWGBAFSPAGQFE-HOTGVXAUSA-N 2 0 292.471 2.717 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000624123607 353812696 /nfs/dbraw/zinc/81/26/96/353812696.db2.gz OZNKUKXLSBFRPQ-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCCC1 ZINC000624123481 353812879 /nfs/dbraw/zinc/81/28/79/353812879.db2.gz MXBWVOOEPNXFDB-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000624188870 353829722 /nfs/dbraw/zinc/82/97/22/353829722.db2.gz JRICIVUDUFQEJY-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP C/C=C/C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000624197766 353832629 /nfs/dbraw/zinc/83/26/29/353832629.db2.gz WLUPHABUBMVGGA-GJBLVYBDSA-N 2 0 262.397 2.854 20 0 CFADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn[nH]c3)cc2)CC1 ZINC000624213363 353836922 /nfs/dbraw/zinc/83/69/22/353836922.db2.gz YCGXMKAIDLMRGU-UHFFFAOYSA-N 2 0 298.434 2.931 20 0 CFADRP CCC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OCC ZINC000624048184 353792626 /nfs/dbraw/zinc/79/26/26/353792626.db2.gz FEPDPJCMVZOVQZ-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccncc1 ZINC000624271914 353852916 /nfs/dbraw/zinc/85/29/16/353852916.db2.gz MIPPFDXUDVNARN-JKSUJKDBSA-N 2 0 261.413 2.853 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000625167626 353987463 /nfs/dbraw/zinc/98/74/63/353987463.db2.gz KORVIFSKVPULMV-MRXNPFEDSA-N 2 0 284.488 2.981 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000625179021 353988824 /nfs/dbraw/zinc/98/88/24/353988824.db2.gz PLWOGZIQLTZQCR-IRXDYDNUSA-N 2 0 280.456 2.752 20 0 CFADRP c1nc2c([nH]1)C[N@H+](C[C@H]1CCc3ccccc3C1)CC2 ZINC000625437677 354046445 /nfs/dbraw/zinc/04/64/45/354046445.db2.gz STRFXZVQYJYDKB-ZDUSSCGKSA-N 2 0 267.376 2.573 20 0 CFADRP COc1ccc(C(C)(C)[NH2+]C[C@H]2CCCN2C)cc1F ZINC000625856308 354129718 /nfs/dbraw/zinc/12/97/18/354129718.db2.gz PAUCPMSZVXJIJF-CYBMUJFWSA-N 2 0 280.387 2.753 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC(F)(F)CC1 ZINC000625767137 354103262 /nfs/dbraw/zinc/10/32/62/354103262.db2.gz FVZHRDZGLQBJTN-ZDUSSCGKSA-N 2 0 260.372 2.982 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000625984803 354160647 /nfs/dbraw/zinc/16/06/47/354160647.db2.gz OJNWVTYCZMYEFI-IRXDYDNUSA-N 2 0 278.440 2.594 20 0 CFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCC[N@@H+]1C ZINC000626063458 354184326 /nfs/dbraw/zinc/18/43/26/354184326.db2.gz DXOOCWJEXSPWFS-GOSISDBHSA-N 2 0 289.467 2.664 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423467868 283020773 /nfs/dbraw/zinc/02/07/73/283020773.db2.gz BSIBXJDIKXUZLV-MLGOLLRUSA-N 2 0 262.372 2.935 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+]2CCC(C)CC2)o1 ZINC000628202891 354475634 /nfs/dbraw/zinc/47/56/34/354475634.db2.gz LJDADVOTSRRGDD-UHFFFAOYSA-N 2 0 265.401 2.585 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)o1 ZINC000628202801 354475716 /nfs/dbraw/zinc/47/57/16/354475716.db2.gz HYSCDIZZRYKIBR-CYBMUJFWSA-N 2 0 265.401 2.727 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000628232836 354491757 /nfs/dbraw/zinc/49/17/57/354491757.db2.gz PZDCXTJODQLOIF-QZTJIDSGSA-N 2 0 295.515 2.820 20 0 CFADRP C[N@@H+]1CC[C@@H](N(CCC[NH3+])c2ccccc2F)CC1(C)C ZINC000628237757 354495060 /nfs/dbraw/zinc/49/50/60/354495060.db2.gz YPUXHGHPKQZFIE-CQSZACIVSA-N 2 0 293.430 2.854 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@]2(C)CCCS2)CC1 ZINC000628252112 354504127 /nfs/dbraw/zinc/50/41/27/354504127.db2.gz IHJLPJPSMVTDIU-KBPBESRZSA-N 2 0 256.459 2.688 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000628261028 354509899 /nfs/dbraw/zinc/50/98/99/354509899.db2.gz FEUIJDHDXCBDAA-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)C[C@]1(C)CCCS1 ZINC000628279877 354516447 /nfs/dbraw/zinc/51/64/47/354516447.db2.gz FAFOYMXUDWXBBG-AWEZNQCLSA-N 2 0 258.475 2.936 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000628351881 354561654 /nfs/dbraw/zinc/56/16/54/354561654.db2.gz RBORDLDDBMXKSZ-JFIYKMOQSA-N 2 0 294.483 2.734 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628425226 354585802 /nfs/dbraw/zinc/58/58/02/354585802.db2.gz DZQKROOQNIKMOO-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628425223 354585935 /nfs/dbraw/zinc/58/59/35/354585935.db2.gz DZQKROOQNIKMOO-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000628425147 354586206 /nfs/dbraw/zinc/58/62/06/354586206.db2.gz BMPKMNADPKQHBN-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP CCC(F)(F)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000628435268 354589435 /nfs/dbraw/zinc/58/94/35/354589435.db2.gz FGGKOYIEQWHMQT-UHFFFAOYSA-N 2 0 269.339 2.685 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000629530200 354832985 /nfs/dbraw/zinc/83/29/85/354832985.db2.gz ZACLXTTXWNDRPE-QGZVFWFLSA-N 2 0 294.414 2.883 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@H]1C ZINC000629389565 354800340 /nfs/dbraw/zinc/80/03/40/354800340.db2.gz OEHJKQVRWVDBIT-ILXRZTDVSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H](C[NH2+]CC1([NH3+])CCOCC1)CC1CCCCC1 ZINC000629389753 354800362 /nfs/dbraw/zinc/80/03/62/354800362.db2.gz USRDFAKESVFANQ-CQSZACIVSA-N 2 0 268.445 2.690 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000629392969 354801263 /nfs/dbraw/zinc/80/12/63/354801263.db2.gz WYARGCWQYNZVHL-IRXDYDNUSA-N 2 0 276.424 2.538 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629528840 354833069 /nfs/dbraw/zinc/83/30/69/354833069.db2.gz KTLUQXXBEUPDBC-SNVBAGLBSA-N 2 0 291.222 2.880 20 0 CFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCOCCC[NH3+] ZINC000629400681 354802918 /nfs/dbraw/zinc/80/29/18/354802918.db2.gz IKZQEONBLRYHRR-NSHDSACASA-N 2 0 290.860 2.678 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C[C@H](c2ccccc2)C1 ZINC000629399027 354803142 /nfs/dbraw/zinc/80/31/42/354803142.db2.gz ATDNHWVHOCGHNT-CGTJXYLNSA-N 2 0 290.451 2.914 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000629400343 354803182 /nfs/dbraw/zinc/80/31/82/354803182.db2.gz UZUVIGWBXPDLSG-GDBMZVCRSA-N 2 0 296.842 2.931 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000629398466 354803265 /nfs/dbraw/zinc/80/32/65/354803265.db2.gz UAAQXKNLDTWNDS-DLBZAZTESA-N 2 0 276.424 2.668 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000629402748 354804183 /nfs/dbraw/zinc/80/41/83/354804183.db2.gz DWABBGOJPANBLN-HUUCEWRRSA-N 2 0 270.461 2.807 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000629529318 354833198 /nfs/dbraw/zinc/83/31/98/354833198.db2.gz ZLBVJXPZFQWZIJ-LLVKDONJSA-N 2 0 299.484 2.636 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000629530668 354833885 /nfs/dbraw/zinc/83/38/85/354833885.db2.gz NCAHXATZRXAWIX-QGZVFWFLSA-N 2 0 275.440 2.938 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000629530413 354833918 /nfs/dbraw/zinc/83/39/18/354833918.db2.gz GLSNFCIYVNYXJE-DGCLKSJQSA-N 2 0 268.426 2.512 20 0 CFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)C2C[NH2+]C2)CC1 ZINC000629531702 354833992 /nfs/dbraw/zinc/83/39/92/354833992.db2.gz VBZHRYCCTXEEJU-FVQBIDKESA-N 2 0 268.445 2.558 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000629513705 354824902 /nfs/dbraw/zinc/82/49/02/354824902.db2.gz KKUIDTHNAGENOD-IRXDYDNUSA-N 2 0 270.420 2.808 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CO2 ZINC000629515607 354825662 /nfs/dbraw/zinc/82/56/62/354825662.db2.gz UIXBRNPZFUIQOH-CWRNSKLLSA-N 2 0 274.408 2.548 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000629523982 354828937 /nfs/dbraw/zinc/82/89/37/354828937.db2.gz PBFSAZDVLVTQOM-UONOGXRCSA-N 2 0 261.413 2.527 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629525453 354829670 /nfs/dbraw/zinc/82/96/70/354829670.db2.gz USBFVJVEKQMAIY-RBSFLKMASA-N 2 0 268.445 2.545 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000629525406 354830133 /nfs/dbraw/zinc/83/01/33/354830133.db2.gz YLSGCMVBNXUBFL-HUUCEWRRSA-N 2 0 275.440 2.775 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000629528532 354831920 /nfs/dbraw/zinc/83/19/20/354831920.db2.gz BHETXTCVIIOZRY-AWEZNQCLSA-N 2 0 272.392 2.726 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000629528533 354831942 /nfs/dbraw/zinc/83/19/42/354831942.db2.gz BHETXTCVIIOZRY-CQSZACIVSA-N 2 0 272.392 2.726 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCCc1cccnc1 ZINC000629528435 354832256 /nfs/dbraw/zinc/83/22/56/354832256.db2.gz ZHAQOFKXMGHDLE-CWRNSKLLSA-N 2 0 261.413 2.523 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000629530165 354832756 /nfs/dbraw/zinc/83/27/56/354832756.db2.gz XCUCAEGYIACZSB-QGZVFWFLSA-N 2 0 294.414 2.883 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000629528866 354832782 /nfs/dbraw/zinc/83/27/82/354832782.db2.gz LSWJRQPBRNHSNQ-CQSZACIVSA-N 2 0 278.440 2.871 20 0 CFADRP COC1(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CCCC1 ZINC000629648333 354875577 /nfs/dbraw/zinc/87/55/77/354875577.db2.gz SOKOVWQYDUOSDR-CYBMUJFWSA-N 2 0 262.397 2.755 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)CO2 ZINC000629649087 354876456 /nfs/dbraw/zinc/87/64/56/354876456.db2.gz HOEHQLUACRJDOY-ZWKOTPCHSA-N 2 0 298.430 2.926 20 0 CFADRP C[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)[C@@H]1CC[NH3+] ZINC000629649819 354876565 /nfs/dbraw/zinc/87/65/65/354876565.db2.gz HQDZEODMSSBEPG-RHSMWYFYSA-N 2 0 286.419 2.912 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)CC[NH2+]1 ZINC000629650371 354876638 /nfs/dbraw/zinc/87/66/38/354876638.db2.gz SQEBGFIIOUSDIC-WUHRBBMRSA-N 2 0 260.372 2.598 20 0 CFADRP CCC[C@H](C)CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533428 354834865 /nfs/dbraw/zinc/83/48/65/354834865.db2.gz ZOYBDOCJMUWQMS-JKSUJKDBSA-N 2 0 282.472 2.890 20 0 CFADRP CC(C)CC[C@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629535645 354835535 /nfs/dbraw/zinc/83/55/35/354835535.db2.gz CZDKHXMHDBKIBL-GJZGRUSLSA-N 2 0 256.434 2.546 20 0 CFADRP CCC[C@H]([NH2+]CCOCCC[NH3+])C1CCCCC1 ZINC000629535067 354835597 /nfs/dbraw/zinc/83/55/97/354835597.db2.gz CIKCJDUNMPEBRI-HNNXBMFYSA-N 2 0 256.434 2.690 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000629535674 354835619 /nfs/dbraw/zinc/83/56/19/354835619.db2.gz DYJRKPOFVOLZDC-CQSZACIVSA-N 2 0 298.814 2.509 20 0 CFADRP CC1(C)CC[C@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629538486 354836858 /nfs/dbraw/zinc/83/68/58/354836858.db2.gz NCARKRUVLZMZPA-INIZCTEOSA-N 2 0 276.424 2.754 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629540554 354838579 /nfs/dbraw/zinc/83/85/79/354838579.db2.gz VWRPCVOXLMZXGC-CVEARBPZSA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000629540499 354838603 /nfs/dbraw/zinc/83/86/03/354838603.db2.gz VEFKICHCVWFLCT-OAHLLOKOSA-N 2 0 282.453 2.934 20 0 CFADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)s1 ZINC000629542161 354839481 /nfs/dbraw/zinc/83/94/81/354839481.db2.gz WFZRWBHKOGJJLM-JTQLQIEISA-N 2 0 276.833 2.808 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000629546823 354842595 /nfs/dbraw/zinc/84/25/95/354842595.db2.gz XUGFWZWRDMLCPG-QSPRXWTASA-N 2 0 258.409 2.738 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CC3 ZINC000629545813 354842603 /nfs/dbraw/zinc/84/26/03/354842603.db2.gz RQPUTYDMGAKHNZ-WOSRLPQWSA-N 2 0 283.419 2.674 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)cc1 ZINC000629547058 354842733 /nfs/dbraw/zinc/84/27/33/354842733.db2.gz FPYFEAVOYXFLAY-IAOVAPTHSA-N 2 0 258.409 2.656 20 0 CFADRP Cc1cncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000629548775 354843334 /nfs/dbraw/zinc/84/33/34/354843334.db2.gz YAVYBWNLIGTVGX-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629552475 354845744 /nfs/dbraw/zinc/84/57/44/354845744.db2.gz KLWRESWNYXHONH-XQQFMLRXSA-N 2 0 260.372 2.599 20 0 CFADRP CCCC[C@H](CC)CC[NH2+]CC1([NH3+])CCOCC1 ZINC000629653540 354878486 /nfs/dbraw/zinc/87/84/86/354878486.db2.gz IRKVVGISFNJHLO-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+]C1 ZINC000629576386 354849156 /nfs/dbraw/zinc/84/91/56/354849156.db2.gz UIOQMEBFFLNXNV-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1csc2ccccc12 ZINC000629570900 354849253 /nfs/dbraw/zinc/84/92/53/354849253.db2.gz HCIIYTMQKNALSD-UHFFFAOYSA-N 2 0 278.421 2.569 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1C(F)(F)F ZINC000629565699 354849259 /nfs/dbraw/zinc/84/92/59/354849259.db2.gz XCWWUJIJZJDKNS-RGDJUOJXSA-N 2 0 290.373 2.882 20 0 CFADRP C[C@H](C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000629581121 354850282 /nfs/dbraw/zinc/85/02/82/354850282.db2.gz NQHXSGBKOZABGX-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654262 354878674 /nfs/dbraw/zinc/87/86/74/354878674.db2.gz GZVQXZNPDZJXCM-QJPTWQEYSA-N 2 0 266.351 2.882 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOCc1ccccc1)C2 ZINC000629592385 354854360 /nfs/dbraw/zinc/85/43/60/354854360.db2.gz BLUKGTJVDSKZAQ-HDICACEKSA-N 2 0 288.435 2.525 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629663936 354883606 /nfs/dbraw/zinc/88/36/06/354883606.db2.gz HNAPMRCHECTYIY-FPCVCCKLSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629669262 354884558 /nfs/dbraw/zinc/88/45/58/354884558.db2.gz VTFJMPWHFPZMOK-XYPHTWIQSA-N 2 0 276.399 2.861 20 0 CFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000629678796 354889189 /nfs/dbraw/zinc/88/91/89/354889189.db2.gz KLHLCSAESVLJHL-UHFFFAOYSA-N 2 0 295.185 2.588 20 0 CFADRP C[NH2+]CCn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)cn1 ZINC000629701308 354900366 /nfs/dbraw/zinc/90/03/66/354900366.db2.gz AMZQFDHJSRSZFX-HNNXBMFYSA-N 2 0 298.434 2.754 20 0 CFADRP Cc1oncc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629713225 354907338 /nfs/dbraw/zinc/90/73/38/354907338.db2.gz JXTWEGAWBNFYMM-UHFFFAOYSA-N 2 0 271.364 2.573 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC000178315215 540089346 /nfs/dbraw/zinc/08/93/46/540089346.db2.gz VHBPUHJZQSGRRE-MWTISTBLSA-N 2 0 292.467 2.939 20 0 CFADRP O=c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c[nH]1 ZINC000631037378 355259063 /nfs/dbraw/zinc/25/90/63/355259063.db2.gz IBWRPUYWJYNOJK-UHFFFAOYSA-N 2 0 297.402 2.673 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(=O)[nH]c2)c1 ZINC000631043834 355262261 /nfs/dbraw/zinc/26/22/61/355262261.db2.gz CAHYVHNAHACJCI-UHFFFAOYSA-N 2 0 299.418 2.919 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000271878644 191386418 /nfs/dbraw/zinc/38/64/18/191386418.db2.gz LYRFMMQSCXFGPK-UHFFFAOYSA-N 2 0 268.763 2.831 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000271891492 191392825 /nfs/dbraw/zinc/39/28/25/191392825.db2.gz RZRSTRPLPORZMH-LLVKDONJSA-N 2 0 266.335 2.877 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000271891784 191393387 /nfs/dbraw/zinc/39/33/87/191393387.db2.gz SDCCAMUXZGPOEG-OAHLLOKOSA-N 2 0 296.418 2.785 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631065385 355272463 /nfs/dbraw/zinc/27/24/63/355272463.db2.gz YEWWJKVHIZPRLF-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cncc(OC)c1C ZINC000631029820 355254499 /nfs/dbraw/zinc/25/44/99/355254499.db2.gz IDYPVSOPKDWFTH-AWEZNQCLSA-N 2 0 293.455 2.999 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109391 355296017 /nfs/dbraw/zinc/29/60/17/355296017.db2.gz DWDXXEIIWNRRAJ-HIFRSBDPSA-N 2 0 289.423 2.530 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631159644 355322045 /nfs/dbraw/zinc/32/20/45/355322045.db2.gz BBDKEOYTZXXTMF-UHFFFAOYSA-N 2 0 283.366 2.982 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000631168515 355327406 /nfs/dbraw/zinc/32/74/06/355327406.db2.gz GPVCXQPZUWTNPY-XBXGTLAGSA-N 2 0 250.361 2.564 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1CC1 ZINC000631195404 355343017 /nfs/dbraw/zinc/34/30/17/355343017.db2.gz GOJRXJLFALLLOB-WMLDXEAASA-N 2 0 258.409 2.754 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1 ZINC000631195870 355343051 /nfs/dbraw/zinc/34/30/51/355343051.db2.gz KYBQIKHDQLTXNV-QFBILLFUSA-N 2 0 295.430 2.939 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000631196399 355344476 /nfs/dbraw/zinc/34/44/76/355344476.db2.gz RCOYGFZXVDXBQX-YJBOKZPZSA-N 2 0 283.419 2.872 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000631568332 355491021 /nfs/dbraw/zinc/49/10/21/355491021.db2.gz ALZHCGYBSYEUEQ-RCCFBDPRSA-N 2 0 286.419 2.899 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000631562691 355488538 /nfs/dbraw/zinc/48/85/38/355488538.db2.gz OKVPLBMJBLZUEY-MRXNPFEDSA-N 2 0 276.424 2.860 20 0 CFADRP c1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000631565425 355489941 /nfs/dbraw/zinc/48/99/41/355489941.db2.gz FPNUVCWOOVWYEB-DYVFJYSZSA-N 2 0 271.408 2.533 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631636286 355525225 /nfs/dbraw/zinc/52/52/25/355525225.db2.gz BNSVJMDXWSRIJW-QZWWFDLISA-N 2 0 292.467 2.656 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CCCCC1 ZINC000631890656 355615773 /nfs/dbraw/zinc/61/57/73/355615773.db2.gz RFUNRDJJWOWFTL-BRWVUGGUSA-N 2 0 280.456 2.656 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836735 355600014 /nfs/dbraw/zinc/60/00/14/355600014.db2.gz GBFIXOBKVSXJSW-ZFWWWQNUSA-N 2 0 275.440 2.794 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000631836581 355600201 /nfs/dbraw/zinc/60/02/01/355600201.db2.gz BUGJEYTXYOSBEB-ZWNOBZJWSA-N 2 0 254.324 2.651 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CN1CCCc1ccc(Cl)cc1 ZINC000631858826 355606452 /nfs/dbraw/zinc/60/64/52/355606452.db2.gz DUOSZWFVXXMPPC-RISCZKNCSA-N 2 0 252.789 2.694 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)CC[N@@H+]1C ZINC000631730678 355567345 /nfs/dbraw/zinc/56/73/45/355567345.db2.gz ARIMEALTHYUZHE-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887208 355614202 /nfs/dbraw/zinc/61/42/02/355614202.db2.gz PBDPCNCSJYMVDF-NVXWUHKLSA-N 2 0 274.408 2.529 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887978 355614223 /nfs/dbraw/zinc/61/42/23/355614223.db2.gz VRDOELSEANMOAU-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631891058 355617592 /nfs/dbraw/zinc/61/75/92/355617592.db2.gz VRGBFCIMEWRJLS-CABCVRRESA-N 2 0 264.438 2.755 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000392244274 540210327 /nfs/dbraw/zinc/21/03/27/540210327.db2.gz NWSXFZKRMOJSDL-UHFFFAOYSA-N 2 0 267.376 2.586 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000273025666 192023484 /nfs/dbraw/zinc/02/34/84/192023484.db2.gz DGHJXCFGRLFOFZ-HNNXBMFYSA-N 2 0 294.439 2.623 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000334845203 540253596 /nfs/dbraw/zinc/25/35/96/540253596.db2.gz JOGAJQQQVCRITB-STQMWFEESA-N 2 0 273.355 2.733 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423141920 283186734 /nfs/dbraw/zinc/18/67/34/283186734.db2.gz SJEJHISYPWQSCP-VVLHAWIVSA-N 2 0 281.488 2.617 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449648192 535322259 /nfs/dbraw/zinc/32/22/59/535322259.db2.gz QITAPUPBNIKPDB-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000568868823 290574191 /nfs/dbraw/zinc/57/41/91/290574191.db2.gz QOGUDLCZZJDMHJ-AWEZNQCLSA-N 2 0 266.335 2.541 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000336509189 540289004 /nfs/dbraw/zinc/28/90/04/540289004.db2.gz BTRJPEZMWBBCGJ-QGZVFWFLSA-N 2 0 274.408 2.579 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072162 540281701 /nfs/dbraw/zinc/28/17/01/540281701.db2.gz TVJZOPDUSUWVSN-ROUUACIJSA-N 2 0 288.435 2.940 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073768 540282044 /nfs/dbraw/zinc/28/20/44/540282044.db2.gz FBVYCNUBNPXIKL-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067010 540283080 /nfs/dbraw/zinc/28/30/80/540283080.db2.gz HRWVNGFZUNRANL-SJORKVTESA-N 2 0 288.435 2.980 20 0 CFADRP CCOc1ccccc1OCC[NH+]1CCC(CC[NH3+])CC1 ZINC000088402531 540294724 /nfs/dbraw/zinc/29/47/24/540294724.db2.gz SDFRVIBFPWOWRZ-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000088276808 540292189 /nfs/dbraw/zinc/29/21/89/540292189.db2.gz CTCYADSIKMIWFV-HNNXBMFYSA-N 2 0 291.439 2.698 20 0 CFADRP c1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000673709470 540314081 /nfs/dbraw/zinc/31/40/81/540314081.db2.gz UVZGSSIFNNGHLS-UHFFFAOYSA-N 2 0 267.376 2.794 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000681058680 540322444 /nfs/dbraw/zinc/32/24/44/540322444.db2.gz VECYGLMOLDQLHU-JQFCIGGWSA-N 2 0 280.456 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000353504819 283320826 /nfs/dbraw/zinc/32/08/26/283320826.db2.gz DFTJWFLSTXXROB-HNNXBMFYSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@]1(C)CCCO1 ZINC000340280477 299272024 /nfs/dbraw/zinc/27/20/24/299272024.db2.gz SNCABTVKUUXUNL-BBRMVZONSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000294653911 199125273 /nfs/dbraw/zinc/12/52/73/199125273.db2.gz CDUNEGCRFFHQPH-ZBFHGGJFSA-N 2 0 278.465 2.850 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251497074 540387390 /nfs/dbraw/zinc/38/73/90/540387390.db2.gz KHRGGOOREVAZRH-YUELXQCFSA-N 2 0 264.438 2.896 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294702882 199142914 /nfs/dbraw/zinc/14/29/14/199142914.db2.gz DBPCCHCRTLJQEA-NJAFHUGGSA-N 2 0 290.451 2.564 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000294795642 199187348 /nfs/dbraw/zinc/18/73/48/199187348.db2.gz MKHASQUOALLNFM-SFHVURJKSA-N 2 0 290.451 2.707 20 0 CFADRP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000294854860 199215382 /nfs/dbraw/zinc/21/53/82/199215382.db2.gz PDHUHGILHOSTNA-LSDHHAIUSA-N 2 0 264.438 2.973 20 0 CFADRP c1ccc(OCC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420327365 236619291 /nfs/dbraw/zinc/61/92/91/236619291.db2.gz YNSVOUKMWKPSLS-MRXNPFEDSA-N 2 0 288.435 2.777 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000488348077 291156187 /nfs/dbraw/zinc/15/61/87/291156187.db2.gz AVBJOAUBFSKGGT-CUSZFKRNSA-N 2 0 294.483 2.854 20 0 CFADRP Cc1csc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000093516438 540431775 /nfs/dbraw/zinc/43/17/75/540431775.db2.gz CQXALZNEUFOYBA-GXTWGEPZSA-N 2 0 281.469 2.894 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000423172524 283426757 /nfs/dbraw/zinc/42/67/57/283426757.db2.gz UBILFOGVGRQDRG-UHDQLFAASA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878037 299289141 /nfs/dbraw/zinc/28/91/41/299289141.db2.gz IRTDOWJXQWZOCL-YESZJQIVSA-N 3 0 281.488 2.619 20 0 CFADRP CC(C)(C)c1ccc(OCC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422930848 540444185 /nfs/dbraw/zinc/44/41/85/540444185.db2.gz WGCYZLRKXWTUPH-CVEARBPZSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncs1 ZINC000162853405 299290441 /nfs/dbraw/zinc/29/04/41/299290441.db2.gz NANZUHHGAKQASD-MJBXVCDLSA-N 2 0 297.468 2.683 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CS[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000094472983 540451343 /nfs/dbraw/zinc/45/13/43/540451343.db2.gz ATHCBVFTRXSIFF-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ccccc1CCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422633827 237114431 /nfs/dbraw/zinc/11/44/31/237114431.db2.gz ISAZKXBQOWAQHS-UHFFFAOYSA-N 2 0 258.409 2.756 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694142 237119614 /nfs/dbraw/zinc/11/96/14/237119614.db2.gz NPZKVMZBYYZLJT-HUUCEWRRSA-N 2 0 268.351 2.757 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000422730867 237143653 /nfs/dbraw/zinc/14/36/53/237143653.db2.gz MOYAPBLXJMJWIS-UHFFFAOYSA-N 2 0 252.789 2.947 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1 ZINC000422729894 237144693 /nfs/dbraw/zinc/14/46/93/237144693.db2.gz LENIRMMZMVGDNJ-KSSFIOAISA-N 2 0 286.394 2.916 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422729545 237145277 /nfs/dbraw/zinc/14/52/77/237145277.db2.gz KVUKDXAPWFBPJB-LSDHHAIUSA-N 2 0 250.361 2.618 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422732612 237147804 /nfs/dbraw/zinc/14/78/04/237147804.db2.gz ACKAEZHNTJGAAU-SWDXFRIISA-N 2 0 299.462 2.524 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422709978 237129244 /nfs/dbraw/zinc/12/92/44/237129244.db2.gz KNVKCSVTYWJIQD-VXGBXAGGSA-N 2 0 252.377 2.819 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC000422723047 237137351 /nfs/dbraw/zinc/13/73/51/237137351.db2.gz ZLQXQZIPYSHFDG-CYBMUJFWSA-N 2 0 298.434 2.766 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000422721446 237139113 /nfs/dbraw/zinc/13/91/13/237139113.db2.gz VLFLWSNWROQJAI-ZNMIVQPWSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000422725292 237139319 /nfs/dbraw/zinc/13/93/19/237139319.db2.gz BCHPDBJSGANHAN-GJZGRUSLSA-N 2 0 277.456 2.833 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422769644 237184872 /nfs/dbraw/zinc/18/48/72/237184872.db2.gz VWPNOEMFELPIBM-AWEZNQCLSA-N 2 0 294.414 2.591 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c[nH]c21 ZINC000422775235 237192175 /nfs/dbraw/zinc/19/21/75/237192175.db2.gz ATVXNUDOEVDVLJ-CHWSQXEVSA-N 2 0 259.397 2.734 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422774367 237192199 /nfs/dbraw/zinc/19/21/99/237192199.db2.gz WSSVQPMKQPITOI-LBPRGKRZSA-N 2 0 250.361 2.574 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422768966 237186706 /nfs/dbraw/zinc/18/67/06/237186706.db2.gz OHNNJBHIQILFLE-GDBMZVCRSA-N 2 0 274.408 2.692 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1 ZINC000422751296 237165167 /nfs/dbraw/zinc/16/51/67/237165167.db2.gz BEZQFRDXVCYYOC-LZWOXQAQSA-N 2 0 293.430 2.818 20 0 CFADRP CSCCCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422750636 237167313 /nfs/dbraw/zinc/16/73/13/237167313.db2.gz DKFHPWGRBSABBB-LLVKDONJSA-N 2 0 267.442 2.643 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422753436 237169340 /nfs/dbraw/zinc/16/93/40/237169340.db2.gz IHBFNMZRTDGTLY-JKSUJKDBSA-N 2 0 262.397 2.623 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)COCc1ccccc1 ZINC000422757210 237171966 /nfs/dbraw/zinc/17/19/66/237171966.db2.gz IHYBDLATVGXFTO-KLHKWILBSA-N 2 0 290.451 2.946 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250644030 540530905 /nfs/dbraw/zinc/53/09/05/540530905.db2.gz IIINITAYMPVZOL-IRXDYDNUSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422794880 237217829 /nfs/dbraw/zinc/21/78/29/237217829.db2.gz HEJUCSPHARSFRT-LALPHHSUSA-N 2 0 282.815 2.824 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797275 237221007 /nfs/dbraw/zinc/22/10/07/237221007.db2.gz LTTCEIMDGRQNFK-ZYHUDNBSSA-N 2 0 288.313 2.802 20 0 CFADRP CC[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251711303 540549852 /nfs/dbraw/zinc/54/98/52/540549852.db2.gz JNFNVPUPROBCDD-SWLSCSKDSA-N 2 0 282.428 2.977 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000422799551 237224281 /nfs/dbraw/zinc/22/42/81/237224281.db2.gz XFSHEEFTNMXOLB-QAPCUYQASA-N 2 0 298.434 2.539 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251745545 540551287 /nfs/dbraw/zinc/55/12/87/540551287.db2.gz PWRCRXUWICOPAN-RYUDHWBXSA-N 2 0 252.789 2.942 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000422799627 237225562 /nfs/dbraw/zinc/22/55/62/237225562.db2.gz XSTUCLQAWIBXIN-BIGNPOOSSA-N 2 0 254.324 2.538 20 0 CFADRP c1ccc([C@@H](C[NH+]2CCCC2)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422799913 237226419 /nfs/dbraw/zinc/22/64/19/237226419.db2.gz AIGSUAJURGAYNA-ZZJWQFMZSA-N 2 0 299.462 2.696 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422773834 237192710 /nfs/dbraw/zinc/19/27/10/237192710.db2.gz ZJSKLUVBEFISFU-DZGCQCFKSA-N 2 0 266.816 2.990 20 0 CFADRP CC[C@@H]1C[N@H+](CCSc2ccccc2)CC[C@H]1[NH3+] ZINC000251858297 540553315 /nfs/dbraw/zinc/55/33/15/540553315.db2.gz SMUMRLGWVSQNEP-UKRRQHHQSA-N 2 0 264.438 2.838 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422776268 237195128 /nfs/dbraw/zinc/19/51/28/237195128.db2.gz CMKSIIGSLAPKHQ-JKSUJKDBSA-N 2 0 280.387 2.844 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2C)CC[C@H]1[NH3+] ZINC000251905886 540554702 /nfs/dbraw/zinc/55/47/02/540554702.db2.gz XHJHPMVIHKCBJK-UKRRQHHQSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Oc1ccc(F)cc1 ZINC000422780721 237198875 /nfs/dbraw/zinc/19/88/75/237198875.db2.gz DFZZZUPPWVLOTC-DVOMOZLQSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782298 237202058 /nfs/dbraw/zinc/20/20/58/237202058.db2.gz GGHYYNQAWXJIEM-JKSUJKDBSA-N 3 0 289.467 2.888 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422782505 237203783 /nfs/dbraw/zinc/20/37/83/237203783.db2.gz NFSCCSDTKMPRJY-CZUORRHYSA-N 2 0 280.387 2.702 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422803114 237227751 /nfs/dbraw/zinc/22/77/51/237227751.db2.gz FMGPCJDNBOEYNS-KBPBESRZSA-N 2 0 269.392 2.964 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Sc1ccccc1 ZINC000422783783 237205815 /nfs/dbraw/zinc/20/58/15/237205815.db2.gz HVZFBWPCAZLQOD-XBFCOCLRSA-N 2 0 250.411 2.637 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422788888 237208444 /nfs/dbraw/zinc/20/84/44/237208444.db2.gz NVQVMHBXPLBDLY-KEYYUXOJSA-N 2 0 292.423 2.570 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422786100 237208917 /nfs/dbraw/zinc/20/89/17/237208917.db2.gz OLMYTNZSOZFFBR-GJZGRUSLSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422789037 237211055 /nfs/dbraw/zinc/21/10/55/237211055.db2.gz SWMQACAOIKTUCV-SJPCQFCGSA-N 2 0 258.409 2.719 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Cc1cccs1 ZINC000422791171 237212382 /nfs/dbraw/zinc/21/23/82/237212382.db2.gz YFVGBGVIRWWXNS-SCRDCRAPSA-N 2 0 252.427 2.644 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422793156 237213915 /nfs/dbraw/zinc/21/39/15/237213915.db2.gz RUBAPWHUNIVIJP-NUEKZKHPSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccccc1Br ZINC000422826708 237255354 /nfs/dbraw/zinc/25/53/54/237255354.db2.gz LWCGLGUIXANDTD-GHMZBOCLSA-N 2 0 285.229 2.707 20 0 CFADRP Clc1ccc2cccnc2c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000666787447 540579656 /nfs/dbraw/zinc/57/96/56/540579656.db2.gz VNMWOHLMENFQOJ-LBPRGKRZSA-N 2 0 289.810 2.977 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422807343 237230128 /nfs/dbraw/zinc/23/01/28/237230128.db2.gz MJNXFJWIDRCROT-INIZCTEOSA-N 3 0 289.467 2.890 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422835294 237262343 /nfs/dbraw/zinc/26/23/43/237262343.db2.gz PFEIASSHGOWMTF-QZTJIDSGSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1C ZINC000252806810 540568369 /nfs/dbraw/zinc/56/83/69/540568369.db2.gz HUDRVPQNFJGMPB-KGLIPLIRSA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422815007 237241281 /nfs/dbraw/zinc/24/12/81/237241281.db2.gz ALZGAOBEJMNJED-MSOLQXFVSA-N 2 0 298.434 2.664 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422854478 237277616 /nfs/dbraw/zinc/27/76/16/237277616.db2.gz AUDSBNUQSSIDDE-RDJZCZTQSA-N 2 0 276.424 2.742 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422862241 237280793 /nfs/dbraw/zinc/28/07/93/237280793.db2.gz PMHBZIAKKMMCLH-QAPCUYQASA-N 2 0 298.434 2.522 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(Br)c1 ZINC000422867158 237284218 /nfs/dbraw/zinc/28/42/18/237284218.db2.gz RRCVWOXNHGZNKM-YUMQZZPRSA-N 2 0 277.231 2.726 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666952126 540596122 /nfs/dbraw/zinc/59/61/22/540596122.db2.gz GXMODLJVVQMAJD-CYBMUJFWSA-N 2 0 268.763 2.711 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422873453 237291468 /nfs/dbraw/zinc/29/14/68/237291468.db2.gz AJOUIPFIGSBTLJ-IRXDYDNUSA-N 2 0 284.407 2.622 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422872083 237293138 /nfs/dbraw/zinc/29/31/38/237293138.db2.gz FPJBEJOGBOCOIX-WCQYABFASA-N 2 0 284.350 2.813 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857607 540588112 /nfs/dbraw/zinc/58/81/12/540588112.db2.gz AKSTWWKMSMSKOW-ZFWWWQNUSA-N 2 0 264.388 2.879 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000666856513 540588234 /nfs/dbraw/zinc/58/82/34/540588234.db2.gz MONYVNWHLDDSMM-XYHHVPKHSA-N 2 0 266.335 2.710 20 0 CFADRP C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422882048 237303618 /nfs/dbraw/zinc/30/36/18/237303618.db2.gz AATJUBMFWBEGQU-XJKSGUPXSA-N 2 0 271.408 2.831 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998107 540605795 /nfs/dbraw/zinc/60/57/95/540605795.db2.gz BIMHYKXZQWKTPW-YCOJEUHLSA-N 2 0 256.393 2.964 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000669937817 540621776 /nfs/dbraw/zinc/62/17/76/540621776.db2.gz UNTLGTCGHLIJKX-HNNXBMFYSA-N 2 0 295.496 2.815 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893699 237315798 /nfs/dbraw/zinc/31/57/98/237315798.db2.gz QZVOLCKVGALOQW-STQMWFEESA-N 2 0 288.313 2.597 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])sc1C ZINC000422894124 237317305 /nfs/dbraw/zinc/31/73/05/237317305.db2.gz SEGWJZAQZWBQOS-QWHCGFSZSA-N 2 0 267.442 2.552 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422902504 237322241 /nfs/dbraw/zinc/32/22/41/237322241.db2.gz DLSQQJGCXINHMN-HOCLYGCPSA-N 2 0 264.388 2.865 20 0 CFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1F ZINC000422905502 237326437 /nfs/dbraw/zinc/32/64/37/237326437.db2.gz SGUJQFCNPTYEOG-LBPRGKRZSA-N 2 0 290.386 2.537 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422936706 237368988 /nfs/dbraw/zinc/36/89/88/237368988.db2.gz FSSBFEZMOGXXEP-LSDHHAIUSA-N 2 0 282.815 2.968 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422941508 237372625 /nfs/dbraw/zinc/37/26/25/237372625.db2.gz JJJQXKNPXPFIBX-DOMZBBRYSA-N 2 0 282.815 2.826 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422915092 237340835 /nfs/dbraw/zinc/34/08/35/237340835.db2.gz XBMLCJPVVMCNHC-MRXNPFEDSA-N 2 0 278.440 2.599 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000422914373 237341202 /nfs/dbraw/zinc/34/12/02/237341202.db2.gz TXAAVLXUKZJIER-CHWSQXEVSA-N 2 0 262.397 2.833 20 0 CFADRP C[NH+](C)CCOc1cccc(NC2CCC(C[NH3+])CC2)c1 ZINC000422916081 237342535 /nfs/dbraw/zinc/34/25/35/237342535.db2.gz ZURPPUIXAVXTHR-UHFFFAOYSA-N 2 0 291.439 2.556 20 0 CFADRP C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)C1C[NH2+]C1 ZINC000422915384 237343089 /nfs/dbraw/zinc/34/30/89/237343089.db2.gz XXZJHEWPXPWSDA-LBPRGKRZSA-N 2 0 293.480 2.931 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000422918631 237343772 /nfs/dbraw/zinc/34/37/72/237343772.db2.gz HXDKCKXAXGACJC-SMDDNHRTSA-N 2 0 270.804 2.745 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000422918628 237344545 /nfs/dbraw/zinc/34/45/45/237344545.db2.gz HXDKCKXAXGACJC-BXUZGUMPSA-N 2 0 270.804 2.745 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422916333 237344677 /nfs/dbraw/zinc/34/46/77/237344677.db2.gz ACOLZNRBNNNCKV-VNQPRFMTSA-N 2 0 280.387 2.620 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000422919250 237348955 /nfs/dbraw/zinc/34/89/55/237348955.db2.gz JJQKGFJGVBLMSD-WDEREUQCSA-N 2 0 288.794 2.884 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297403424 200177642 /nfs/dbraw/zinc/17/76/42/200177642.db2.gz CHNIFBGSOAQGPT-QGZVFWFLSA-N 2 0 295.386 2.682 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000422980815 237408176 /nfs/dbraw/zinc/40/81/76/237408176.db2.gz RFXJEYGGPTYSRJ-GUYCJALGSA-N 2 0 293.455 2.687 20 0 CFADRP Clc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000422947297 237376481 /nfs/dbraw/zinc/37/64/81/237376481.db2.gz YDFOVKJKINFTPD-ZACCUICWSA-N 2 0 270.829 2.817 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422948216 237377595 /nfs/dbraw/zinc/37/75/95/237377595.db2.gz QXXKIVPEOKMPST-HUUCEWRRSA-N 2 0 262.397 2.623 20 0 CFADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422951955 237383372 /nfs/dbraw/zinc/38/33/72/237383372.db2.gz AYXIGMVVOCZUSL-HLLBOEOZSA-N 2 0 292.471 2.728 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422968660 237397090 /nfs/dbraw/zinc/39/70/90/237397090.db2.gz RSQPRXFZYGIVHK-WDEREUQCSA-N 2 0 253.390 2.502 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423014076 237436241 /nfs/dbraw/zinc/43/62/41/237436241.db2.gz OCGAWQSSTILPNW-NVXWUHKLSA-N 2 0 294.414 2.929 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000297503386 200212208 /nfs/dbraw/zinc/21/22/08/200212208.db2.gz UFEZCZDMGOPTEC-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000423511357 283485344 /nfs/dbraw/zinc/48/53/44/283485344.db2.gz QBRVAZGVZMKFIZ-DIOULYMOSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000423492202 283484644 /nfs/dbraw/zinc/48/46/44/283484644.db2.gz MBOYAXIIEBLQKT-GPCCPHFNSA-N 2 0 266.335 2.669 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1C[NH3+] ZINC000403238129 540670582 /nfs/dbraw/zinc/67/05/82/540670582.db2.gz QLHWVWDWAZXJKG-GTDBDLECSA-N 2 0 250.430 2.728 20 0 CFADRP C([C@@H]1CC[C@H]2C[C@H]2C1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000403526876 540672203 /nfs/dbraw/zinc/67/22/03/540672203.db2.gz MYKXMVMHISHUKF-XBVQOTNRSA-N 2 0 262.441 2.887 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403714429 540673449 /nfs/dbraw/zinc/67/34/49/540673449.db2.gz GLGSAETVRMXOGU-OWCLPIDISA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000297762996 200277387 /nfs/dbraw/zinc/27/73/87/200277387.db2.gz OWGKPKPBJFJOPI-GOEBONIOSA-N 2 0 295.496 2.672 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380773711 540691187 /nfs/dbraw/zinc/69/11/87/540691187.db2.gz SFKCDXGVSGDLCR-RDJZCZTQSA-N 2 0 274.408 2.564 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423203369 299308762 /nfs/dbraw/zinc/30/87/62/299308762.db2.gz CIZLQGFMOSYUHH-QWHCGFSZSA-N 2 0 279.403 2.542 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000521858937 540734140 /nfs/dbraw/zinc/73/41/40/540734140.db2.gz CSOYBFDMNUNZAO-BHYGNILZSA-N 2 0 290.455 2.530 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423335718 299311932 /nfs/dbraw/zinc/31/19/32/299311932.db2.gz RWVGJPRKRAHKNC-GUYCJALGSA-N 2 0 293.430 2.932 20 0 CFADRP C[NH2+]CCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000435877012 240363623 /nfs/dbraw/zinc/36/36/23/240363623.db2.gz MPZJONIVKLIVTM-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000178549286 189126194 /nfs/dbraw/zinc/12/61/94/189126194.db2.gz PUROAFSAZCQCKW-WBOJAVRRSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccsc1 ZINC000178739255 189141437 /nfs/dbraw/zinc/14/14/37/189141437.db2.gz NODFLPMRLVKGIX-CQSZACIVSA-N 2 0 295.496 2.672 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(Cl)c1)C2 ZINC000385279881 540810783 /nfs/dbraw/zinc/81/07/83/540810783.db2.gz KIJJSKBPCHNGGW-ZFWWWQNUSA-N 2 0 264.800 2.901 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1OC(C)C ZINC000414906965 540829851 /nfs/dbraw/zinc/82/98/51/540829851.db2.gz ACIMQXJYAKFOPM-LSDHHAIUSA-N 2 0 292.423 2.842 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000385731759 540819445 /nfs/dbraw/zinc/81/94/45/540819445.db2.gz OSWFHOMMCHLMQY-WHOFXGATSA-N 2 0 264.800 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000414344325 540823426 /nfs/dbraw/zinc/82/34/26/540823426.db2.gz NWMFFNPLJSZGOQ-SQNIBIBYSA-N 2 0 287.451 2.506 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000423094673 238197909 /nfs/dbraw/zinc/19/79/09/238197909.db2.gz COWNIGIXBDBGMR-OLEVXBPZSA-N 2 0 288.435 2.583 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000435874702 240365124 /nfs/dbraw/zinc/36/51/24/240365124.db2.gz MUGYTWHCGDFYAP-TZMCWYRMSA-N 2 0 250.361 2.613 20 0 CFADRP c1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178957989 189157519 /nfs/dbraw/zinc/15/75/19/189157519.db2.gz ZJCAZJQCJFGXIF-UHFFFAOYSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000414911307 540830552 /nfs/dbraw/zinc/83/05/52/540830552.db2.gz DUEPDRVXLHNUIP-GWSUEFFPSA-N 2 0 266.335 2.838 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423127543 238216857 /nfs/dbraw/zinc/21/68/57/238216857.db2.gz CBUDDWVDSSVJSA-UPJWGTAASA-N 2 0 290.386 2.788 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423127539 238217870 /nfs/dbraw/zinc/21/78/70/238217870.db2.gz CBUDDWVDSSVJSA-AVGNSLFASA-N 2 0 290.386 2.788 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000414928484 540831488 /nfs/dbraw/zinc/83/14/88/540831488.db2.gz QBLZBVDXZCNVHI-GHMZBOCLSA-N 2 0 256.752 2.839 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414933575 540831906 /nfs/dbraw/zinc/83/19/06/540831906.db2.gz XASGINKEVJPULG-QLFBSQMISA-N 2 0 264.800 2.667 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414933512 540832060 /nfs/dbraw/zinc/83/20/60/540832060.db2.gz WYFLPMBZHBMURR-RYUDHWBXSA-N 2 0 288.420 2.565 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423131162 238219395 /nfs/dbraw/zinc/21/93/95/238219395.db2.gz ZKVFXXINLWRUHC-VQHPVUNQSA-N 2 0 274.408 2.624 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415036689 540833271 /nfs/dbraw/zinc/83/32/71/540833271.db2.gz GCKNLINETQXSSL-KBPBESRZSA-N 2 0 291.464 2.985 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415047658 540833309 /nfs/dbraw/zinc/83/33/09/540833309.db2.gz FIRIYBKOAJUWMN-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415088365 540834059 /nfs/dbraw/zinc/83/40/59/540834059.db2.gz XIIBFAGCXUANOM-HUUCEWRRSA-N 2 0 276.424 2.606 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116750 238208221 /nfs/dbraw/zinc/20/82/21/238208221.db2.gz RKKSUHNIIGFQIM-MLGOLLRUSA-N 2 0 289.398 2.957 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000423143538 238228503 /nfs/dbraw/zinc/22/85/03/238228503.db2.gz XDGHDAPZDLIFFO-CQSZACIVSA-N 2 0 284.831 2.534 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000335240519 283592727 /nfs/dbraw/zinc/59/27/27/283592727.db2.gz PXDGDGHVKOZHJD-IAGOWNOFSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423145009 238231006 /nfs/dbraw/zinc/23/10/06/238231006.db2.gz IPOLGLATYNLKGL-VXGBXAGGSA-N 2 0 292.814 2.741 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(C)cc2C)CC1 ZINC000423145044 238231238 /nfs/dbraw/zinc/23/12/38/238231238.db2.gz IUAOTZGALIYUOD-MRXNPFEDSA-N 2 0 290.451 2.679 20 0 CFADRP COCc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000179222105 189178776 /nfs/dbraw/zinc/17/87/76/189178776.db2.gz DOIRWBFUNIKDTL-QGZVFWFLSA-N 2 0 276.424 2.607 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152165 238237703 /nfs/dbraw/zinc/23/77/03/238237703.db2.gz DSPLTZPSMZWEEG-HZMBPMFUSA-N 2 0 286.778 2.575 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423155863 238238377 /nfs/dbraw/zinc/23/83/77/238238377.db2.gz RGYRIUKAIBYMLS-CJNGLKHVSA-N 2 0 264.388 2.654 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423158612 238240915 /nfs/dbraw/zinc/24/09/15/238240915.db2.gz OIRQNXVAAILJSL-VXGBXAGGSA-N 2 0 287.329 2.708 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423139182 238225824 /nfs/dbraw/zinc/22/58/24/238225824.db2.gz ZDBOVIYPNJZDEJ-WDEREUQCSA-N 2 0 250.361 2.919 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1Cl ZINC000423139073 238225903 /nfs/dbraw/zinc/22/59/03/238225903.db2.gz KEZWDSUEVLFNLO-IVMMDQJWSA-N 2 0 296.842 2.533 20 0 CFADRP Cc1ccc(Br)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000423174213 238254212 /nfs/dbraw/zinc/25/42/12/238254212.db2.gz BQRINOGWVAOBRZ-LLVKDONJSA-N 2 0 285.229 2.975 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000423176270 238255936 /nfs/dbraw/zinc/25/59/36/238255936.db2.gz GAHOMWRBMLTMAE-SBJFKYEJSA-N 2 0 268.445 2.543 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCCC1 ZINC000423160432 238243675 /nfs/dbraw/zinc/24/36/75/238243675.db2.gz HGIBLZCVJATCCW-ZDUSSCGKSA-N 2 0 291.439 2.706 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000423159518 238244583 /nfs/dbraw/zinc/24/45/83/238244583.db2.gz YFQLBPWVWWDFTN-FFSVYQOJSA-N 2 0 261.413 2.791 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC1(C)C ZINC000423164134 238246641 /nfs/dbraw/zinc/24/66/41/238246641.db2.gz OBCPCXOMZVWZLT-HZPDHXFCSA-N 2 0 281.488 2.761 20 0 CFADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423166370 238247954 /nfs/dbraw/zinc/24/79/54/238247954.db2.gz CLSBWRAZPFKVEB-XUWVNRHRSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc2c[nH+]cn2c1 ZINC000423167925 238249719 /nfs/dbraw/zinc/24/97/19/238249719.db2.gz GBMYTODHMZCPFN-ZBFHGGJFSA-N 2 0 286.423 2.735 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH3+] ZINC000423196082 238269667 /nfs/dbraw/zinc/26/96/67/238269667.db2.gz USJKJCPZKIGVOD-SNVBAGLBSA-N 2 0 260.303 2.575 20 0 CFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)CCC[NH3+] ZINC000423196326 238270908 /nfs/dbraw/zinc/27/09/08/238270908.db2.gz ZJLNMJMKJWQOFN-QWHCGFSZSA-N 2 0 291.414 2.965 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423204243 238274933 /nfs/dbraw/zinc/27/49/33/238274933.db2.gz DFVFPDOZTGVZQO-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423206897 238277545 /nfs/dbraw/zinc/27/75/45/238277545.db2.gz CLVNHVTXBHCHQI-YDHLFZDLSA-N 2 0 292.471 2.985 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423225692 238288287 /nfs/dbraw/zinc/28/82/87/238288287.db2.gz NUXXALQKSZDOMQ-WDEREUQCSA-N 2 0 290.436 2.901 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423225578 238288671 /nfs/dbraw/zinc/28/86/71/238288671.db2.gz NIJLZUTXXFKGQH-VBNZEHGJSA-N 2 0 296.842 2.757 20 0 CFADRP COCCC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000423226044 238288770 /nfs/dbraw/zinc/28/87/70/238288770.db2.gz PFRXNCTVQNSLOF-WFASDCNBSA-N 2 0 268.376 2.620 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423227586 238291859 /nfs/dbraw/zinc/29/18/59/238291859.db2.gz WGTPDPJWKKZTBI-XQQFMLRXSA-N 2 0 250.386 2.514 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423211357 238281052 /nfs/dbraw/zinc/28/10/52/238281052.db2.gz KZMJSLGBXRHFAU-GDBMZVCRSA-N 2 0 298.434 2.831 20 0 CFADRP COCCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423214341 238283321 /nfs/dbraw/zinc/28/33/21/238283321.db2.gz OQQJHGLZQOAUHO-PBHICJAKSA-N 2 0 294.414 2.883 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221048 238287186 /nfs/dbraw/zinc/28/71/86/238287186.db2.gz ZCTKUKPCCUWHHH-SUMWQHHRSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423242974 238301645 /nfs/dbraw/zinc/30/16/45/238301645.db2.gz FYJHJBRUBYKVFK-RBSFLKMASA-N 2 0 276.424 2.776 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423247730 238305662 /nfs/dbraw/zinc/30/56/62/238305662.db2.gz LRHCXNSIXJHRGX-RDJZCZTQSA-N 2 0 258.409 2.597 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249549 238307641 /nfs/dbraw/zinc/30/76/41/238307641.db2.gz OTNSQWLRIWNPDT-CXAGYDPISA-N 2 0 274.408 2.662 20 0 CFADRP Fc1cccc2c1SCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249544 238308002 /nfs/dbraw/zinc/30/80/02/238308002.db2.gz OSLPDFPOCBSIMV-SMDDNHRTSA-N 2 0 280.412 2.952 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000423250848 238308842 /nfs/dbraw/zinc/30/88/42/238308842.db2.gz RBGVOVMMYHGELC-QWRGUYRKSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423254698 238311631 /nfs/dbraw/zinc/31/16/31/238311631.db2.gz ZERRKTLBALIGSM-HOTGVXAUSA-N 2 0 298.434 2.582 20 0 CFADRP COc1ccc(C[NH+](C)C)cc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155890028 540909443 /nfs/dbraw/zinc/90/94/43/540909443.db2.gz WNUDPTHOFFBNIK-HIFRSBDPSA-N 2 0 291.439 2.651 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423254697 238312408 /nfs/dbraw/zinc/31/24/08/238312408.db2.gz ZERRKTLBALIGSM-CVEARBPZSA-N 2 0 298.434 2.582 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000353524258 540913006 /nfs/dbraw/zinc/91/30/06/540913006.db2.gz CTTFFWXSHWOZAT-AWEZNQCLSA-N 2 0 278.444 2.818 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666079383 540917316 /nfs/dbraw/zinc/91/73/16/540917316.db2.gz FAHFHPKMYSDYEV-ZDUSSCGKSA-N 2 0 266.816 2.739 20 0 CFADRP Cc1cccc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)n1 ZINC000355210450 540935086 /nfs/dbraw/zinc/93/50/86/540935086.db2.gz CHTYYJXUFZPPHY-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1F ZINC000166044634 540925221 /nfs/dbraw/zinc/92/52/21/540925221.db2.gz VFDSJSLGZAGYDT-HNNXBMFYSA-N 2 0 292.398 2.798 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CC1 ZINC000423280118 238338012 /nfs/dbraw/zinc/33/80/12/238338012.db2.gz SZUHVXSYLABVAK-DLBZAZTESA-N 2 0 260.425 2.889 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423311160 238365140 /nfs/dbraw/zinc/36/51/40/238365140.db2.gz STWIBWCLKZQYQN-MNOVXSKESA-N 2 0 274.330 2.821 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423287049 238345997 /nfs/dbraw/zinc/34/59/97/238345997.db2.gz JYSNHLCOBXAZAR-NILFDRSVSA-N 2 0 262.397 2.514 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423293579 238351088 /nfs/dbraw/zinc/35/10/88/238351088.db2.gz AFOSFAOABJHVBL-GHMZBOCLSA-N 2 0 272.339 2.842 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292471 238351816 /nfs/dbraw/zinc/35/18/16/238351816.db2.gz NDRARJUKWVWUCG-OLZOCXBDSA-N 2 0 250.386 2.611 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])ccc1OC(F)F ZINC000423296898 238352913 /nfs/dbraw/zinc/35/29/13/238352913.db2.gz HXSPVANUCJOHIX-UWVGGRQHSA-N 2 0 288.338 2.542 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423294865 238353333 /nfs/dbraw/zinc/35/33/33/238353333.db2.gz CZJQJCPLGFXGMD-BDAKNGLRSA-N 2 0 276.302 2.673 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])oc21 ZINC000423298001 238356273 /nfs/dbraw/zinc/35/62/73/238356273.db2.gz MRVLIKWQFPDZNB-MNOVXSKESA-N 2 0 262.353 2.687 20 0 CFADRP Cc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000180075452 189235963 /nfs/dbraw/zinc/23/59/63/189235963.db2.gz INSLOAWIAKWONH-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC000423310275 238363215 /nfs/dbraw/zinc/36/32/15/238363215.db2.gz RRMULSCDCFHCTQ-BPLDGKMQSA-N 2 0 261.413 2.601 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423332112 238383447 /nfs/dbraw/zinc/38/34/47/238383447.db2.gz OXDJHLKATADCBD-LBPRGKRZSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC1(C)C ZINC000666090263 540976857 /nfs/dbraw/zinc/97/68/57/540976857.db2.gz SEYHBXFBSVEOGU-UAGQMJEPSA-N 2 0 293.499 2.569 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[NH3+])cc1OC ZINC000423316551 238369373 /nfs/dbraw/zinc/36/93/73/238369373.db2.gz BUMUEITYWFDIEP-OLZOCXBDSA-N 2 0 280.412 2.524 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423320675 238371428 /nfs/dbraw/zinc/37/14/28/238371428.db2.gz FVDCDLXMHNPZFD-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000390781423 540983083 /nfs/dbraw/zinc/98/30/83/540983083.db2.gz REFPZBLQAOHYHS-WBVHZDCISA-N 2 0 298.434 2.973 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1F ZINC000423350097 238398459 /nfs/dbraw/zinc/39/84/59/238398459.db2.gz WVEVMMFWXLFGOC-LRDDRELGSA-N 2 0 280.387 2.875 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423340704 238390724 /nfs/dbraw/zinc/39/07/24/238390724.db2.gz CBRDPNATLTUFDR-ZDUSSCGKSA-N 2 0 274.412 2.569 20 0 CFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)[C@H]1CC1(C)C ZINC000666096142 540984488 /nfs/dbraw/zinc/98/44/88/540984488.db2.gz LZOIWYZSQLPSHK-HUUCEWRRSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000666128461 541008606 /nfs/dbraw/zinc/00/86/06/541008606.db2.gz HICAUPUQBLHEBG-HRCADAONSA-N 2 0 290.451 2.635 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000666128460 541008626 /nfs/dbraw/zinc/00/86/26/541008626.db2.gz HICAUPUQBLHEBG-BZUAXINKSA-N 2 0 290.451 2.635 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423449956 238464254 /nfs/dbraw/zinc/46/42/54/238464254.db2.gz GVVGTXAUIZCYAR-XHDPSFHLSA-N 2 0 250.361 2.994 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000335240518 283638918 /nfs/dbraw/zinc/63/89/18/283638918.db2.gz PXDGDGHVKOZHJD-DLBZAZTESA-N 2 0 280.456 2.785 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1O ZINC000423488780 238491521 /nfs/dbraw/zinc/49/15/21/238491521.db2.gz VSIWBKWZBUGCSO-JSGCOSHPSA-N 2 0 278.396 2.584 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182073382 189313207 /nfs/dbraw/zinc/31/32/07/189313207.db2.gz WITRTZDMPLPYQZ-UHFFFAOYSA-N 2 0 288.435 2.923 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671746633 541064885 /nfs/dbraw/zinc/06/48/85/541064885.db2.gz NROMQINLUQTILN-DKIMLUQUSA-N 2 0 270.420 2.789 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671744405 541064466 /nfs/dbraw/zinc/06/44/66/541064466.db2.gz FUONLJDNDNLDRF-LLVKDONJSA-N 2 0 277.368 2.526 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000666199311 541070827 /nfs/dbraw/zinc/07/08/27/541070827.db2.gz KIYGCUVKOPARQA-VHSSKADRSA-N 2 0 288.435 2.619 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1C ZINC000184462720 189386811 /nfs/dbraw/zinc/38/68/11/189386811.db2.gz KKCNOWVQHCKONB-BBRMVZONSA-N 2 0 279.403 2.700 20 0 CFADRP c1ccc(C2CC2)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000666761992 541140707 /nfs/dbraw/zinc/14/07/07/541140707.db2.gz COVOEHAKNICIFX-XYPWUTKMSA-N 2 0 256.393 2.937 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000666770417 541142698 /nfs/dbraw/zinc/14/26/98/541142698.db2.gz ZLDWMGOLBPPICR-BPQIPLTHSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc3cnccc3c2)CCC[NH2+]C1 ZINC000666844139 541150992 /nfs/dbraw/zinc/15/09/92/541150992.db2.gz IHKNMJOXSGNRQP-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857976 541153608 /nfs/dbraw/zinc/15/36/08/541153608.db2.gz RRVZNEXYJUCNAA-OCCSQVGLSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858032 541153765 /nfs/dbraw/zinc/15/37/65/541153765.db2.gz UILHMBKVYCPLQZ-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000666743441 541137500 /nfs/dbraw/zinc/13/75/00/541137500.db2.gz IQLFLRFFGZRIHT-ZYHUDNBSSA-N 2 0 287.329 2.708 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950710 541165357 /nfs/dbraw/zinc/16/53/57/541165357.db2.gz BSYCOYJNUGZZJL-ZDUSSCGKSA-N 2 0 282.334 2.520 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952394 541166025 /nfs/dbraw/zinc/16/60/25/541166025.db2.gz UWXXOFITIOGQRE-QGZVFWFLSA-N 2 0 288.435 2.953 20 0 CFADRP Clc1cc2c(c(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c1)OCC2 ZINC000666952342 541166106 /nfs/dbraw/zinc/16/61/06/541166106.db2.gz RYEUZUOUARADNG-CQSZACIVSA-N 2 0 292.810 2.507 20 0 CFADRP c1nc(C2CCC2)sc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952473 541166113 /nfs/dbraw/zinc/16/61/13/541166113.db2.gz YAHONYFOXUROCS-ZDUSSCGKSA-N 2 0 277.437 2.642 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954327 541166662 /nfs/dbraw/zinc/16/66/62/541166662.db2.gz UQXUKXWSNZOAHA-RDBSUJKOSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666955553 541167188 /nfs/dbraw/zinc/16/71/88/541167188.db2.gz ZMVFPXYEBXQERE-AWEZNQCLSA-N 2 0 264.800 2.880 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995774 541171521 /nfs/dbraw/zinc/17/15/21/541171521.db2.gz ZUTBQCRXFOPKRF-HOCLYGCPSA-N 2 0 288.435 2.891 20 0 CFADRP Fc1cc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc(F)c1F ZINC000666998546 541171930 /nfs/dbraw/zinc/17/19/30/541171930.db2.gz ZUNVWKAELSMPFZ-NSHDSACASA-N 2 0 284.325 2.868 20 0 CFADRP c1nn(-c2ccccc2)cc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998417 541172231 /nfs/dbraw/zinc/17/22/31/541172231.db2.gz SRBAOMPSAWBBER-INIZCTEOSA-N 2 0 296.418 2.637 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC000666999435 541172925 /nfs/dbraw/zinc/17/29/25/541172925.db2.gz IAYLQIZEFZZMEU-MRXNPFEDSA-N 2 0 281.403 2.999 20 0 CFADRP C(C[NH2+]Cc1nc2c(s1)CCCC2)C[C@@H]1CCC[NH2+]1 ZINC000666903241 541158594 /nfs/dbraw/zinc/15/85/94/541158594.db2.gz BGOYREICKIAJQN-GFCCVEGCSA-N 2 0 279.453 2.644 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)C[NH+](C)C ZINC000425932115 239139283 /nfs/dbraw/zinc/13/92/83/239139283.db2.gz OQUXANQMDMGIEE-WBMJQRKESA-N 2 0 264.388 2.990 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1ccccc1F)C[NH+](C)C ZINC000425943834 239143380 /nfs/dbraw/zinc/14/33/80/239143380.db2.gz KATPEEYGACVZLV-ZIAGYGMSSA-N 2 0 266.404 2.934 20 0 CFADRP CC(C)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667518197 541248130 /nfs/dbraw/zinc/24/81/30/541248130.db2.gz SBMYMYSCGDVDAZ-UHFFFAOYSA-N 2 0 270.380 2.888 20 0 CFADRP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(C2CCCC2)c1 ZINC000667713105 541297620 /nfs/dbraw/zinc/29/76/20/541297620.db2.gz XVOHBYHIWNILGG-ROUUACIJSA-N 2 0 270.420 2.995 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667788008 541315154 /nfs/dbraw/zinc/31/51/54/541315154.db2.gz FMVOLZSKYBGPBE-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)C(C)(C)C ZINC000667864739 541330757 /nfs/dbraw/zinc/33/07/57/541330757.db2.gz IARRXMLPVPYKSS-ZNMIVQPWSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667890331 541335714 /nfs/dbraw/zinc/33/57/14/541335714.db2.gz CXPPUHCXLVIHPC-ROUUACIJSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000137727185 541372345 /nfs/dbraw/zinc/37/23/45/541372345.db2.gz IIOFAABRWTYTDP-ZDUSSCGKSA-N 2 0 259.397 2.829 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCC1 ZINC000668055610 541375861 /nfs/dbraw/zinc/37/58/61/541375861.db2.gz GOQBNGHVHLNICV-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000192454645 189622353 /nfs/dbraw/zinc/62/23/53/189622353.db2.gz BXHNQSQRAZHEKK-QAPCUYQASA-N 2 0 288.435 2.797 20 0 CFADRP Cc1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)n1C ZINC000668092143 541380698 /nfs/dbraw/zinc/38/06/98/541380698.db2.gz YQIBREKZWLLWOQ-GZMMTYOYSA-N 2 0 261.291 2.501 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC2CCOCC2)CC1 ZINC000432782261 240043873 /nfs/dbraw/zinc/04/38/73/240043873.db2.gz SATZVRKXOXIZKN-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104089 283809297 /nfs/dbraw/zinc/80/92/97/283809297.db2.gz GMAWWRNEMRYLCC-BPUTZDHNSA-N 2 0 268.445 2.641 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000435367820 240305885 /nfs/dbraw/zinc/30/58/85/240305885.db2.gz ASSKJAXHFZVLLD-CYBMUJFWSA-N 2 0 250.411 2.579 20 0 CFADRP CC[N@H+](Cc1cccc(COC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435377725 240306080 /nfs/dbraw/zinc/30/60/80/240306080.db2.gz AGERJVBWRMGEDK-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc2c1 ZINC000435373428 240306645 /nfs/dbraw/zinc/30/66/45/240306645.db2.gz NIFBRCYFJWRMSJ-VXGBXAGGSA-N 2 0 274.364 2.611 20 0 CFADRP CC[N@H+](Cc1cc(OC)cc(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435387216 240310010 /nfs/dbraw/zinc/31/00/10/240310010.db2.gz YJQIQJYETCRSEA-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP COc1ccc2oc(C[NH+]3CCC(C[NH3+])CC3)cc2c1 ZINC000435383874 240310788 /nfs/dbraw/zinc/31/07/88/240310788.db2.gz JMQSVYOJWZUKJQ-UHFFFAOYSA-N 2 0 274.364 2.612 20 0 CFADRP c1cc2c(ncnc2NC[C@H]2CCC[N@@H+]2C2CCCCC2)[nH]1 ZINC000435583184 240324775 /nfs/dbraw/zinc/32/47/75/240324775.db2.gz FKGWOQUHZRRZHJ-CQSZACIVSA-N 2 0 299.422 2.589 20 0 CFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@@H]3C(C)(C)C)C2)CC1 ZINC000672603735 541443602 /nfs/dbraw/zinc/44/36/02/541443602.db2.gz PMNYLVHWDJAMAP-XIRDDKMYSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435731148 240343935 /nfs/dbraw/zinc/34/39/35/240343935.db2.gz IMVPWJOGSTYCEV-UIBBOPPKSA-N 2 0 262.372 2.611 20 0 CFADRP CCOc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435447071 240315611 /nfs/dbraw/zinc/31/56/11/240315611.db2.gz NLMSTVKJJKEUMP-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435446840 240315764 /nfs/dbraw/zinc/31/57/64/240315764.db2.gz MHDWWXKECFXPBB-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000442922408 241022211 /nfs/dbraw/zinc/02/22/11/241022211.db2.gz KVSWDSKQGGVJGV-BGGTVIOKSA-N 2 0 262.372 2.900 20 0 CFADRP CCO[C@H](C)c1nc(CN2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443056945 241032069 /nfs/dbraw/zinc/03/20/69/241032069.db2.gz DULWCDRPKYBVIF-OLZOCXBDSA-N 2 0 297.468 2.801 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446817530 241327099 /nfs/dbraw/zinc/32/70/99/241327099.db2.gz LNBMYSAMWXIAJZ-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cncs1 ZINC000447557231 241384565 /nfs/dbraw/zinc/38/45/65/241384565.db2.gz LDIYRCJOANDLLL-LLVKDONJSA-N 2 0 265.426 2.668 20 0 CFADRP CC(C)C1CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446884202 241334592 /nfs/dbraw/zinc/33/45/92/241334592.db2.gz OQASSCLCNPDSFJ-UHFFFAOYSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]CCN1CCCC(C)(C)C1)[C@@H]1CCOC1 ZINC000447577642 241387625 /nfs/dbraw/zinc/38/76/25/241387625.db2.gz IOTANSZOVSAAMX-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2occc21 ZINC000447590148 241390371 /nfs/dbraw/zinc/39/03/71/241390371.db2.gz AIEMKFVVFDPLFX-HNNXBMFYSA-N 2 0 280.412 2.605 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000447599226 241391556 /nfs/dbraw/zinc/39/15/56/241391556.db2.gz JMILBNNWZWOKNY-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601374 241391618 /nfs/dbraw/zinc/39/16/18/241391618.db2.gz POEMGXICTPKVCH-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCCCCC1 ZINC000447598754 241391752 /nfs/dbraw/zinc/39/17/52/241391752.db2.gz VZAYRVOXRSTMMO-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)C1CCCCC1 ZINC000447599227 241392814 /nfs/dbraw/zinc/39/28/14/241392814.db2.gz JMILBNNWZWOKNY-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000447602510 241393088 /nfs/dbraw/zinc/39/30/88/241393088.db2.gz UTIHGPOKHLIFTG-IAGOWNOFSA-N 2 0 294.414 2.630 20 0 CFADRP Cc1cccc(CC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000449012136 241636208 /nfs/dbraw/zinc/63/62/08/241636208.db2.gz YVSPLITWTXUDJE-UHFFFAOYSA-N 2 0 260.425 2.811 20 0 CFADRP [NH3+]CC1(CC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCCC1 ZINC000449674895 242102972 /nfs/dbraw/zinc/10/29/72/242102972.db2.gz XJKQGZJROWGMQW-UHFFFAOYSA-N 2 0 287.407 2.528 20 0 CFADRP COC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000452073458 243033712 /nfs/dbraw/zinc/03/37/12/243033712.db2.gz BBMGRFCGMLLJJW-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)C1CC[NH+](C)CC1 ZINC000675737059 541686060 /nfs/dbraw/zinc/68/60/60/541686060.db2.gz XFFFGSNUGRAAAW-CJNGLKHVSA-N 2 0 295.496 2.671 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000675756963 541688981 /nfs/dbraw/zinc/68/89/81/541688981.db2.gz RKCODJAZRGILQZ-OAHLLOKOSA-N 2 0 284.488 2.884 20 0 CFADRP c1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000675797821 541695037 /nfs/dbraw/zinc/69/50/37/541695037.db2.gz VWPCSALBBIEFIO-KRWDZBQOSA-N 2 0 299.462 2.872 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000453059341 243381176 /nfs/dbraw/zinc/38/11/76/243381176.db2.gz MRAHPVUTVZPJFI-JKSUJKDBSA-N 2 0 290.455 2.509 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000453069204 243387123 /nfs/dbraw/zinc/38/71/23/243387123.db2.gz YVLJNJFJTPOVQE-JKSUJKDBSA-N 2 0 290.455 2.652 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000453081037 243393498 /nfs/dbraw/zinc/39/34/98/243393498.db2.gz DUWWEBRCGDDEMH-CABCVRRESA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCCC[NH+](C)C ZINC000453094790 243397941 /nfs/dbraw/zinc/39/79/41/243397941.db2.gz SZWRRGDDJWBKPC-OAHLLOKOSA-N 2 0 263.429 2.724 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000453103767 243403822 /nfs/dbraw/zinc/40/38/22/243403822.db2.gz DBIOGJAOKDIJJX-HNNXBMFYSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000675926573 541709954 /nfs/dbraw/zinc/70/99/54/541709954.db2.gz DFHHUADEGYKOLH-CQSZACIVSA-N 2 0 273.424 2.649 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccnn1-c1ccccc1 ZINC000423455034 296145719 /nfs/dbraw/zinc/14/57/19/296145719.db2.gz MCZVDCLZMXXGKF-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cn[nH]c3)CC2)CC1 ZINC000676906906 541805476 /nfs/dbraw/zinc/80/54/76/541805476.db2.gz SDUVHCCGFXBONU-UHFFFAOYSA-N 2 0 276.428 2.542 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459351340 245151522 /nfs/dbraw/zinc/15/15/22/245151522.db2.gz GHQOSUSZALKUAC-QQFBHYJXSA-N 2 0 268.445 2.606 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCc1ccc(Cl)cc1 ZINC000459488567 245195816 /nfs/dbraw/zinc/19/58/16/245195816.db2.gz WYXWHMFLWFDWLW-INIZCTEOSA-N 2 0 298.858 2.829 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459741006 245295718 /nfs/dbraw/zinc/29/57/18/245295718.db2.gz UUJJYUQBURMHPI-JKSUJKDBSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000459724492 245283784 /nfs/dbraw/zinc/28/37/84/245283784.db2.gz FAHNETMTUZVOKQ-AWEZNQCLSA-N 2 0 299.418 2.762 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000459723937 245284096 /nfs/dbraw/zinc/28/40/96/245284096.db2.gz DJLIYAJHHFJXRS-KRWDZBQOSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459774545 245317515 /nfs/dbraw/zinc/31/75/15/245317515.db2.gz JCSDHSGHTFHSHE-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1sccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459788756 245326422 /nfs/dbraw/zinc/32/64/22/245326422.db2.gz QCHZXUNRNYOJCW-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000019914644 372208029 /nfs/dbraw/zinc/20/80/29/372208029.db2.gz IHZNOUHWNSCOAD-CQSZACIVSA-N 2 0 264.413 2.992 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000037042932 372641628 /nfs/dbraw/zinc/64/16/28/372641628.db2.gz LQFXZHPAPDINLO-MRXNPFEDSA-N 2 0 289.423 2.609 20 0 CFADRP COCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037762594 372699877 /nfs/dbraw/zinc/69/98/77/372699877.db2.gz SWOXSCNRISFNFW-ALOPSCKCSA-N 2 0 274.408 2.548 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000037644055 372677475 /nfs/dbraw/zinc/67/74/75/372677475.db2.gz BIEATBNATGDVKZ-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP CC(C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000037634883 372678955 /nfs/dbraw/zinc/67/89/55/372678955.db2.gz PVDCIEQWDQPJTL-UHFFFAOYSA-N 2 0 275.440 2.587 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000037644023 372679543 /nfs/dbraw/zinc/67/95/43/372679543.db2.gz BKSFCRPFTUHCSX-LSDHHAIUSA-N 2 0 276.424 2.996 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000037644356 372680870 /nfs/dbraw/zinc/68/08/70/372680870.db2.gz MJYASJGVNYCWTQ-OOHWJJMZSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000037649198 372684456 /nfs/dbraw/zinc/68/44/56/372684456.db2.gz WPCFEEJOHDVLPI-OLZOCXBDSA-N 2 0 262.372 2.961 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649293 372685423 /nfs/dbraw/zinc/68/54/23/372685423.db2.gz DPWSGHMEOMACHW-RYUDHWBXSA-N 2 0 250.411 2.883 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037778544 372706686 /nfs/dbraw/zinc/70/66/86/372706686.db2.gz ACFWTFBRRPCUEL-LNRIEFBSSA-N 2 0 288.435 2.841 20 0 CFADRP CCc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000333117908 205044323 /nfs/dbraw/zinc/04/43/23/205044323.db2.gz HSMICUUXTXLOIO-GNRIBBGQSA-N 2 0 292.427 2.518 20 0 CFADRP CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000037976740 372743923 /nfs/dbraw/zinc/74/39/23/372743923.db2.gz DGOSGAMUQSUBCG-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(Br)s1 ZINC000038003351 372759060 /nfs/dbraw/zinc/75/90/60/372759060.db2.gz NYVWYRPSVHOUAU-ZETCQYMHSA-N 2 0 263.204 2.510 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000571327368 383684662 /nfs/dbraw/zinc/68/46/62/383684662.db2.gz WKTYQPBQFBECKV-HOCLYGCPSA-N 2 0 250.430 2.888 20 0 CFADRP CCC[NH+](CCC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000041665327 372857193 /nfs/dbraw/zinc/85/71/93/372857193.db2.gz HKHJYNIRTLDKTR-OAHLLOKOSA-N 2 0 264.413 2.860 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000333332526 205226853 /nfs/dbraw/zinc/22/68/53/205226853.db2.gz WMGBELUVMSNPHE-RBSFLKMASA-N 2 0 293.455 2.982 20 0 CFADRP CCc1noc(C2CCC([NH2+][C@@H]3CCCC[C@H]3[NH3+])CC2)n1 ZINC000333350519 205243248 /nfs/dbraw/zinc/24/32/48/205243248.db2.gz BAQRGJZOGJIINO-NWINJMCUSA-N 2 0 292.427 2.518 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000044534718 373005300 /nfs/dbraw/zinc/00/53/00/373005300.db2.gz VHZRBLDGOYLJTP-UONOGXRCSA-N 2 0 292.423 2.696 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663425 373026482 /nfs/dbraw/zinc/02/64/82/373026482.db2.gz LXMGXUVFJQMBDK-CYBMUJFWSA-N 2 0 250.386 2.688 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1F ZINC000045663162 373027072 /nfs/dbraw/zinc/02/70/72/373027072.db2.gz ZVZDFOJKIVENKU-LLVKDONJSA-N 2 0 256.340 2.957 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049553879 373310377 /nfs/dbraw/zinc/31/03/77/373310377.db2.gz UYBMGLYIKQUMBL-KGLIPLIRSA-N 2 0 264.413 2.556 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049553881 373310903 /nfs/dbraw/zinc/31/09/03/373310903.db2.gz UYBMGLYIKQUMBL-ZIAGYGMSSA-N 2 0 264.413 2.556 20 0 CFADRP CCC(CC)[N@H+](CCOC)CC[C@H]1CCC[NH2+]C1 ZINC000051919332 373417280 /nfs/dbraw/zinc/41/72/80/373417280.db2.gz QNYCRGXADCGRRX-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000069220949 374051942 /nfs/dbraw/zinc/05/19/42/374051942.db2.gz NLSFHDXIBXMBOG-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074160 374121025 /nfs/dbraw/zinc/12/10/25/374121025.db2.gz GYFYGDJCHMGOLJ-LBPRGKRZSA-N 2 0 282.815 2.909 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000070170452 374134936 /nfs/dbraw/zinc/13/49/36/374134936.db2.gz IGZHKDWILHKZKI-AWEZNQCLSA-N 2 0 285.391 2.902 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000070170697 374135031 /nfs/dbraw/zinc/13/50/31/374135031.db2.gz CZXVYUVDJBLJHN-AWEZNQCLSA-N 2 0 264.438 2.840 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000070149612 374130399 /nfs/dbraw/zinc/13/03/99/374130399.db2.gz MENWEXDPUAVAQW-INIZCTEOSA-N 2 0 284.407 2.576 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571461343 383697633 /nfs/dbraw/zinc/69/76/33/383697633.db2.gz ICQNDEXKCJQILU-HZPDHXFCSA-N 2 0 276.424 2.932 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000070170867 374136083 /nfs/dbraw/zinc/13/60/83/374136083.db2.gz WUIZCCSNHFSNHI-LBPRGKRZSA-N 2 0 291.420 2.964 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169442 374136144 /nfs/dbraw/zinc/13/61/44/374136144.db2.gz KMZRULDOQSTQAI-QWHCGFSZSA-N 2 0 250.361 2.948 20 0 CFADRP CC(C)c1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000070171035 374138093 /nfs/dbraw/zinc/13/80/93/374138093.db2.gz FHQCXBTUQJNQAV-LBPRGKRZSA-N 2 0 267.442 2.827 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491598684 246085655 /nfs/dbraw/zinc/08/56/55/246085655.db2.gz JNTYPZVUIUSVQL-CYBMUJFWSA-N 2 0 264.413 2.545 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000072858252 374295027 /nfs/dbraw/zinc/29/50/27/374295027.db2.gz AAKLBNRBMDKGKH-QGZVFWFLSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCC2)C[NH+](C)C ZINC000491557601 246080510 /nfs/dbraw/zinc/08/05/10/246080510.db2.gz CPUHTYSSYBVZPS-AWEZNQCLSA-N 2 0 260.425 2.853 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000678137815 541959700 /nfs/dbraw/zinc/95/97/00/541959700.db2.gz VQSYEESGBDNANW-HNNXBMFYSA-N 2 0 294.464 2.564 20 0 CFADRP Cn1nccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678138994 541960647 /nfs/dbraw/zinc/96/06/47/541960647.db2.gz IKMPBZDTCRZITQ-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076458499 374551937 /nfs/dbraw/zinc/55/19/37/374551937.db2.gz IZNBSICASUDTCW-AWEZNQCLSA-N 2 0 266.816 2.814 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671631 374801928 /nfs/dbraw/zinc/80/19/28/374801928.db2.gz SWCAUDMDZCWQOV-OAGGEKHMSA-N 2 0 280.456 2.652 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH3+])ccc1Br ZINC000085706769 374804905 /nfs/dbraw/zinc/80/49/05/374804905.db2.gz WUNMPOOJYHXMDC-UHFFFAOYSA-N 2 0 271.202 2.586 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000089146116 374874780 /nfs/dbraw/zinc/87/47/80/374874780.db2.gz LFUIOFYYCZULEK-TZMCWYRMSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000089146068 374875114 /nfs/dbraw/zinc/87/51/14/374875114.db2.gz DRZMVCYDOMCGLE-GDBMZVCRSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089147950 374875126 /nfs/dbraw/zinc/87/51/26/374875126.db2.gz YSSBSQPQZIXLGG-JKSUJKDBSA-N 2 0 271.408 2.748 20 0 CFADRP COCc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000088567095 374853223 /nfs/dbraw/zinc/85/32/23/374853223.db2.gz ISISAVFVSJSOLU-UHFFFAOYSA-N 2 0 276.424 2.799 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678260061 541987460 /nfs/dbraw/zinc/98/74/60/541987460.db2.gz RLGKRQVULWNTLN-AWEZNQCLSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000090218379 375004156 /nfs/dbraw/zinc/00/41/56/375004156.db2.gz QAOCADCOSPDKIW-DRRXZNNHSA-N 2 0 282.472 2.756 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000090523607 375019577 /nfs/dbraw/zinc/01/95/77/375019577.db2.gz ATZSYSCRIKDNRY-WBAXXEDZSA-N 2 0 294.483 2.923 20 0 CFADRP C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253393 375098144 /nfs/dbraw/zinc/09/81/44/375098144.db2.gz OHLFCYVFUAEIAU-KRWDZBQOSA-N 2 0 298.434 2.646 20 0 CFADRP COCc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093088873 375185148 /nfs/dbraw/zinc/18/51/48/375185148.db2.gz BYANUNMDTRVUIR-UHFFFAOYSA-N 2 0 276.424 2.607 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000092835525 375163141 /nfs/dbraw/zinc/16/31/41/375163141.db2.gz SVWKHCRMXXSIRK-QGZVFWFLSA-N 2 0 274.408 2.758 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092564737 375125259 /nfs/dbraw/zinc/12/52/59/375125259.db2.gz XEPXFDHKIORSIF-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000093451458 375243267 /nfs/dbraw/zinc/24/32/67/375243267.db2.gz SLUYGGBIOSTHSX-XDNAFOTISA-N 2 0 293.499 2.617 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093464995 375245681 /nfs/dbraw/zinc/24/56/81/375245681.db2.gz UEPVZHNGXXJEDA-YOEHRIQHSA-N 2 0 276.424 2.843 20 0 CFADRP CCCn1nc(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000093088654 375185459 /nfs/dbraw/zinc/18/54/59/375185459.db2.gz MTBIGCVZILRVFJ-UHFFFAOYSA-N 2 0 292.471 2.684 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccs2)[C@H](C)C1 ZINC000093638874 375277354 /nfs/dbraw/zinc/27/73/54/375277354.db2.gz YEQLKZYVJYCYKK-TZMCWYRMSA-N 2 0 252.427 2.910 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH+]1CCCCC1 ZINC000093515548 375261548 /nfs/dbraw/zinc/26/15/48/375261548.db2.gz BADCNERCOCKSNK-IKGGRYGDSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccncc1 ZINC000093515656 375262519 /nfs/dbraw/zinc/26/25/19/375262519.db2.gz LFLTVRRLCMBEPS-GDBMZVCRSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)C[NH+]1CCCC1 ZINC000093516421 375262627 /nfs/dbraw/zinc/26/26/27/375262627.db2.gz JAMCPFPOHRVRSW-ZACQAIPSSA-N 2 0 281.488 2.619 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000094950007 375396580 /nfs/dbraw/zinc/39/65/80/375396580.db2.gz JIVHNHKMIOTLEG-HOCLYGCPSA-N 2 0 264.388 2.784 20 0 CFADRP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000093944545 375332665 /nfs/dbraw/zinc/33/26/65/375332665.db2.gz IPVZEMVTNVRXKF-MHORFTMASA-N 2 0 295.515 2.674 20 0 CFADRP Fc1ccccc1C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021625 375335586 /nfs/dbraw/zinc/33/55/86/375335586.db2.gz RLNWUILWSIQRKA-UHFFFAOYSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000094070549 375338199 /nfs/dbraw/zinc/33/81/99/375338199.db2.gz ZHYXJSZSWAVKJZ-HNNXBMFYSA-N 2 0 276.424 2.620 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000094338726 375351616 /nfs/dbraw/zinc/35/16/16/375351616.db2.gz HJXNRRUSUVEJLL-BBRMVZONSA-N 2 0 262.397 2.643 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000094522315 375365171 /nfs/dbraw/zinc/36/51/71/375365171.db2.gz ROHKQKWUHRMFFS-UHFFFAOYSA-N 2 0 288.435 2.894 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678277394 541998286 /nfs/dbraw/zinc/99/82/86/541998286.db2.gz UICUBNTVXQKYEQ-CABCVRRESA-N 2 0 276.424 2.857 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678295196 542001333 /nfs/dbraw/zinc/00/13/33/542001333.db2.gz MQCJWOZUYPDGHT-HNNXBMFYSA-N 2 0 290.455 2.886 20 0 CFADRP Cc1[nH+]ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c1Cl ZINC000497113055 247048977 /nfs/dbraw/zinc/04/89/77/247048977.db2.gz GKLWTOYYXMFECZ-LLVKDONJSA-N 2 0 269.820 2.854 20 0 CFADRP CC(C)[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501937107 247107694 /nfs/dbraw/zinc/10/76/94/247107694.db2.gz CIBGWMBQFZKXFI-SFHVURJKSA-N 2 0 295.515 2.771 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCc2csc(C(C)(C)C)n2)C1 ZINC000498354864 247079649 /nfs/dbraw/zinc/07/96/49/247079649.db2.gz RJMCRDHWQJERLB-OCCSQVGLSA-N 2 0 295.496 2.913 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)n1 ZINC000678425037 542025288 /nfs/dbraw/zinc/02/52/88/542025288.db2.gz UNPRCQCSPQUYCV-CYBMUJFWSA-N 2 0 261.413 2.691 20 0 CFADRP c1ccc2c(c1)C=C(C[NH2+]C1CCN(C3CC3)CC1)CO2 ZINC000102420456 375674111 /nfs/dbraw/zinc/67/41/11/375674111.db2.gz XQSWHDKDQKXIAD-UHFFFAOYSA-N 2 0 284.403 2.679 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507488869 247175565 /nfs/dbraw/zinc/17/55/65/247175565.db2.gz VRFDOZPRDNXIHY-NRSFXHEJSA-N 2 0 288.435 2.522 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000513656216 247224405 /nfs/dbraw/zinc/22/44/05/247224405.db2.gz QTNMJGARNIGVAN-KSZLIROESA-N 2 0 272.436 3.000 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000513666304 247225558 /nfs/dbraw/zinc/22/55/58/247225558.db2.gz KYAKOZURAPKNFP-RCCFBDPRSA-N 2 0 288.435 2.836 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1N(C)C)C1CC[NH+](C)CC1 ZINC000678591789 542047283 /nfs/dbraw/zinc/04/72/83/542047283.db2.gz ZNSCMWYEYCVDKY-AWEZNQCLSA-N 2 0 275.440 2.573 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)[C@H](C)C1 ZINC000678597630 542048146 /nfs/dbraw/zinc/04/81/46/542048146.db2.gz FZIRDFJBTCRRTA-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C[C@@H]1OC ZINC000678600917 542050439 /nfs/dbraw/zinc/05/04/39/542050439.db2.gz PIFOAZMOQMYYIB-BMFZPTHFSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+](Cc1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000104085243 375766550 /nfs/dbraw/zinc/76/65/50/375766550.db2.gz DPBVPDISEARYDE-UHFFFAOYSA-N 2 0 250.361 2.599 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)CC3CC3)CC2)C1 ZINC000678607706 542053321 /nfs/dbraw/zinc/05/33/21/542053321.db2.gz QLDHFPZFTSHGGT-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)C1CC[NH+](C)CC1 ZINC000678609592 542054598 /nfs/dbraw/zinc/05/45/98/542054598.db2.gz ZNTDLTMBHYCATG-DYVFJYSZSA-N 2 0 273.424 2.853 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868834 375802836 /nfs/dbraw/zinc/80/28/36/375802836.db2.gz GQWNTCRCARMPKQ-DLBZAZTESA-N 2 0 258.409 2.965 20 0 CFADRP Cn1ccnc1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000105875685 375792897 /nfs/dbraw/zinc/79/28/97/375792897.db2.gz CQGAZMDQCLDVAT-UHFFFAOYSA-N 2 0 269.392 2.875 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000111695637 375864285 /nfs/dbraw/zinc/86/42/85/375864285.db2.gz INYJVDRCUJKSLV-UKRRQHHQSA-N 2 0 269.392 2.794 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000678766295 542066477 /nfs/dbraw/zinc/06/64/77/542066477.db2.gz OMWNRVBXPCMAOB-CRAIPNDOSA-N 2 0 290.451 2.868 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000678766297 542066486 /nfs/dbraw/zinc/06/64/86/542066486.db2.gz OMWNRVBXPCMAOB-QAPCUYQASA-N 2 0 290.451 2.868 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cncn1C ZINC000112339597 375907014 /nfs/dbraw/zinc/90/70/14/375907014.db2.gz KOOQGZMBIYJGES-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP CCc1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000261792195 190044069 /nfs/dbraw/zinc/04/40/69/190044069.db2.gz GFPPJMMMVHEQMO-GOSISDBHSA-N 2 0 288.435 2.622 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000261788780 190044210 /nfs/dbraw/zinc/04/42/10/190044210.db2.gz XOBWTHBJTLUEJH-ZBFHGGJFSA-N 2 0 289.423 2.594 20 0 CFADRP Cc1nc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000119182901 376367849 /nfs/dbraw/zinc/36/78/49/376367849.db2.gz TULMAMUEWPNHPY-UHFFFAOYSA-N 2 0 293.480 2.802 20 0 CFADRP CC[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000119714646 376458304 /nfs/dbraw/zinc/45/83/04/376458304.db2.gz OEETXVLQBSSYLU-UHFFFAOYSA-N 2 0 273.355 2.824 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119871675 376491883 /nfs/dbraw/zinc/49/18/83/376491883.db2.gz ZHAUTRUQIWBTSH-CPUCHLNUSA-N 2 0 275.440 2.571 20 0 CFADRP CCC[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000678844373 542082823 /nfs/dbraw/zinc/08/28/23/542082823.db2.gz YKWOLJAFAPPPDO-IKGGRYGDSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@H]([NH2+]CCCn1ccnc1)c1ccc(-n2ccnc2)cc1 ZINC000120490640 376625056 /nfs/dbraw/zinc/62/50/56/376625056.db2.gz GQMOKUYESXCOLH-HNNXBMFYSA-N 2 0 295.390 2.810 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccs1 ZINC000120902472 376720632 /nfs/dbraw/zinc/72/06/32/376720632.db2.gz QTUVDNJNBZRBDS-GJZGRUSLSA-N 2 0 295.496 2.672 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCOCC1 ZINC000120985384 376736801 /nfs/dbraw/zinc/73/68/01/376736801.db2.gz ZYRDFZDTSFJKMF-ZDUSSCGKSA-N 2 0 294.414 2.792 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121259638 376791920 /nfs/dbraw/zinc/79/19/20/376791920.db2.gz DNZKGKIBBFYMQC-BBWFWOEESA-N 2 0 292.467 2.800 20 0 CFADRP COC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000121267765 376792920 /nfs/dbraw/zinc/79/29/20/376792920.db2.gz HAMQEAKWJPXGAY-JLSDUUJJSA-N 2 0 288.435 2.522 20 0 CFADRP CCC[NH+]1CCC(Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000679128351 542124262 /nfs/dbraw/zinc/12/42/62/542124262.db2.gz UXDUPQBOFDUZGM-UHFFFAOYSA-N 2 0 285.395 2.554 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000372689085 284604045 /nfs/dbraw/zinc/60/40/45/284604045.db2.gz CAJMRFPGXBVGCF-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000121350905 376813019 /nfs/dbraw/zinc/81/30/19/376813019.db2.gz YPUJTMMUKYZWSL-TWMKSMIVSA-N 2 0 292.467 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000121674719 376882808 /nfs/dbraw/zinc/88/28/08/376882808.db2.gz IVIYLTFZAFMUMG-RHSMWYFYSA-N 2 0 294.414 2.915 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121687344 376883718 /nfs/dbraw/zinc/88/37/18/376883718.db2.gz AXKXUEXYNNWJSF-ZACQAIPSSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000121687784 376883785 /nfs/dbraw/zinc/88/37/85/376883785.db2.gz PXXXXWKQLXRNAH-OAHLLOKOSA-N 2 0 290.451 2.952 20 0 CFADRP C[NH2+]CCCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000124774848 377086956 /nfs/dbraw/zinc/08/69/56/377086956.db2.gz ZGNCTLKKQKFCOG-LLVKDONJSA-N 2 0 263.410 2.899 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000125292733 377138457 /nfs/dbraw/zinc/13/84/57/377138457.db2.gz ZDSGPRSSGPTWFE-UHFFFAOYSA-N 2 0 298.434 2.993 20 0 CFADRP CCn1cc([C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125880024 377198797 /nfs/dbraw/zinc/19/87/97/377198797.db2.gz SSGUKYUTMNRBRN-LSDHHAIUSA-N 2 0 278.444 2.674 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000126390584 377225018 /nfs/dbraw/zinc/22/50/18/377225018.db2.gz VSBQVUZQFODWHL-IRXDYDNUSA-N 2 0 284.407 2.624 20 0 CFADRP COC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000125972207 377203450 /nfs/dbraw/zinc/20/34/50/377203450.db2.gz LIGMHKCVBNGBGS-KGLIPLIRSA-N 2 0 258.450 2.613 20 0 CFADRP C1CCC2(C1)C[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000128125530 377320229 /nfs/dbraw/zinc/32/02/29/377320229.db2.gz YKJGQPODNPQSBJ-OWCLPIDISA-N 2 0 278.440 2.695 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)s1 ZINC000127365666 377277833 /nfs/dbraw/zinc/27/78/33/377277833.db2.gz WNPHIPCWUQQHCZ-JSGCOSHPSA-N 2 0 295.496 2.651 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000128463543 377339043 /nfs/dbraw/zinc/33/90/43/377339043.db2.gz JYTQYCOKOIVBJL-QGZVFWFLSA-N 2 0 286.423 2.678 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000127790870 377301862 /nfs/dbraw/zinc/30/18/62/377301862.db2.gz DXLMXDARQJCXOY-ZACQAIPSSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1C ZINC000127838823 377304344 /nfs/dbraw/zinc/30/43/44/377304344.db2.gz PYRJVVSFMWITPK-SWLSCSKDSA-N 2 0 289.398 2.922 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128593561 377348556 /nfs/dbraw/zinc/34/85/56/377348556.db2.gz HSUXJLDLIHOKHV-KRWDZBQOSA-N 2 0 283.504 2.818 20 0 CFADRP CCCC[C@@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128594744 377349106 /nfs/dbraw/zinc/34/91/06/377349106.db2.gz KXILZGPZTOTLLC-MRXNPFEDSA-N 2 0 269.477 2.572 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000129865422 377483376 /nfs/dbraw/zinc/48/33/76/377483376.db2.gz NYTHPSSLOXSHQI-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]CC1CCCCC1 ZINC000350316088 284639632 /nfs/dbraw/zinc/63/96/32/284639632.db2.gz KMAJYLVNJBPQJC-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP C[C@@H](CCCCO)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000679330401 542168589 /nfs/dbraw/zinc/16/85/89/542168589.db2.gz JCHWSFNOFUBKRG-INIZCTEOSA-N 2 0 290.451 2.923 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000130570143 377578571 /nfs/dbraw/zinc/57/85/71/377578571.db2.gz MKAPIYSAMRYOOD-YUTCNCBUSA-N 2 0 250.411 2.616 20 0 CFADRP C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000130723025 377600690 /nfs/dbraw/zinc/60/06/90/377600690.db2.gz MPPGGEWSLGMCIO-OAHLLOKOSA-N 2 0 293.499 2.856 20 0 CFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CSC1 ZINC000679625326 542214741 /nfs/dbraw/zinc/21/47/41/542214741.db2.gz SFDAVEZRRLERBW-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000130944351 377634853 /nfs/dbraw/zinc/63/48/53/377634853.db2.gz QJSSBCTYBZZNCL-OAHLLOKOSA-N 2 0 258.409 2.877 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000131502034 377720705 /nfs/dbraw/zinc/72/07/05/377720705.db2.gz UMWMZSAHADDVLB-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000132113100 377804139 /nfs/dbraw/zinc/80/41/39/377804139.db2.gz YEVCDRIDZHBFGH-CJNGLKHVSA-N 2 0 295.390 2.843 20 0 CFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000132203996 377814138 /nfs/dbraw/zinc/81/41/38/377814138.db2.gz FZRQPZZUVCSZDC-OAHLLOKOSA-N 2 0 260.425 2.891 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000132413742 377837595 /nfs/dbraw/zinc/83/75/95/377837595.db2.gz HCJCTYQJBPTZPR-JSGCOSHPSA-N 2 0 271.364 2.511 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000132439614 377839210 /nfs/dbraw/zinc/83/92/10/377839210.db2.gz QUGYHYNMEYCTRD-SJORKVTESA-N 2 0 289.467 2.975 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(C)c1O ZINC000132803448 377879040 /nfs/dbraw/zinc/87/90/40/377879040.db2.gz YNMFLHUGCPTYDD-UHFFFAOYSA-N 2 0 276.424 2.783 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133089528 377902315 /nfs/dbraw/zinc/90/23/15/377902315.db2.gz RNOSDWJWFOTDHF-XJKCOSOUSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000134413393 378012184 /nfs/dbraw/zinc/01/21/84/378012184.db2.gz POKTWWVBUGHBHA-BBRMVZONSA-N 2 0 269.392 2.665 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000134086483 377982390 /nfs/dbraw/zinc/98/23/90/377982390.db2.gz DDFKDJMTMYTYSY-UHFFFAOYSA-N 2 0 294.464 2.601 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000479078081 284686758 /nfs/dbraw/zinc/68/67/58/284686758.db2.gz IMRGHJXHUWYXPD-QZWWFDLISA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000135264644 378107349 /nfs/dbraw/zinc/10/73/49/378107349.db2.gz RNSYXLKZFBYCQY-MRXNPFEDSA-N 2 0 282.403 2.900 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137112942 378219117 /nfs/dbraw/zinc/21/91/17/378219117.db2.gz JJNVWDUPHOFGEF-UHFFFAOYSA-N 2 0 291.620 2.931 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)C1CCOCC1 ZINC000151093313 378293011 /nfs/dbraw/zinc/29/30/11/378293011.db2.gz JNVNIIPQVYARKM-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000150991195 378284665 /nfs/dbraw/zinc/28/46/65/378284665.db2.gz LKEJIDVHMKSWKG-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000151721926 378353142 /nfs/dbraw/zinc/35/31/42/378353142.db2.gz JYGRCIOUZAAWDN-OLZOCXBDSA-N 2 0 259.353 2.558 20 0 CFADRP C[N@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152107734 378395356 /nfs/dbraw/zinc/39/53/56/378395356.db2.gz CFECQVJOXJIIOA-CQSZACIVSA-N 2 0 282.378 2.781 20 0 CFADRP CCCCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000152217184 378403351 /nfs/dbraw/zinc/40/33/51/378403351.db2.gz ZFPOJOGBUGDNFC-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000152031972 378386183 /nfs/dbraw/zinc/38/61/83/378386183.db2.gz NRBWGNCECHCUQV-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CCC(CC)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000153895266 378521397 /nfs/dbraw/zinc/52/13/97/378521397.db2.gz ZXKCDXJOCNVFIO-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCCNc3ccccc31)CC2 ZINC000329725902 378488213 /nfs/dbraw/zinc/48/82/13/378488213.db2.gz BYRYDXPIFCVFRY-IUODEOHRSA-N 2 0 282.391 2.804 20 0 CFADRP Cc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)nc1 ZINC000153833895 378515202 /nfs/dbraw/zinc/51/52/02/378515202.db2.gz BGTHLFJXAMNHIF-MRXNPFEDSA-N 2 0 261.413 2.696 20 0 CFADRP CCC(CC)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153877513 378520252 /nfs/dbraw/zinc/52/02/52/378520252.db2.gz JEUYINHRQXRWPK-CALCHBBNSA-N 2 0 295.515 2.913 20 0 CFADRP C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000154181721 378546111 /nfs/dbraw/zinc/54/61/11/378546111.db2.gz NCBNOLCUMGQLGA-LBPRGKRZSA-N 2 0 266.351 2.993 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCN1C ZINC000154622299 378584779 /nfs/dbraw/zinc/58/47/79/378584779.db2.gz WIQGKTRXUMKSMB-RHSMWYFYSA-N 2 0 274.408 2.756 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C)s1 ZINC000154517948 378575089 /nfs/dbraw/zinc/57/50/89/378575089.db2.gz KHWAGAGBLUOYAH-ZYHUDNBSSA-N 2 0 267.442 2.759 20 0 CFADRP CC(C)OCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154744781 378592471 /nfs/dbraw/zinc/59/24/71/378592471.db2.gz JYLGAQAALCHPQT-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CCCCOc1ncccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000154749625 378593185 /nfs/dbraw/zinc/59/31/85/378593185.db2.gz QCSBDKZAVDLAEQ-HOCLYGCPSA-N 2 0 291.439 2.690 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2)cn1 ZINC000155395657 378624891 /nfs/dbraw/zinc/62/48/91/378624891.db2.gz ILNBUHXXLBOFMC-AEFFLSMTSA-N 2 0 297.402 2.873 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000158563133 378669950 /nfs/dbraw/zinc/66/99/50/378669950.db2.gz ACDZZCIGLYUFTE-BRSBDYLESA-N 3 0 295.515 2.817 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000332248071 378739708 /nfs/dbraw/zinc/73/97/08/378739708.db2.gz BJZCOAHVXPIVDX-RRQGHBQHSA-N 2 0 273.424 2.753 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000332183917 378733771 /nfs/dbraw/zinc/73/37/71/378733771.db2.gz ARAKWCPJWWFSCL-MAZHCROVSA-N 2 0 274.408 2.877 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000332181486 378733870 /nfs/dbraw/zinc/73/38/70/378733870.db2.gz ABXFDERBVDTPLH-RRQGHBQHSA-N 2 0 274.408 2.877 20 0 CFADRP COc1cc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000161715594 378866917 /nfs/dbraw/zinc/86/69/17/378866917.db2.gz FAFJOAXDYHOSNF-ZOBUZTSGSA-N 2 0 290.451 2.864 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000162647560 378924466 /nfs/dbraw/zinc/92/44/66/378924466.db2.gz APFFWDBXTLVGAJ-YESZJQIVSA-N 2 0 273.424 2.790 20 0 CFADRP Cc1nc(C)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000334208712 378926692 /nfs/dbraw/zinc/92/66/92/378926692.db2.gz FKFBNQHBWURHDJ-PBWFPOADSA-N 2 0 279.453 2.817 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000162719651 378928077 /nfs/dbraw/zinc/92/80/77/378928077.db2.gz ZNBHFMUTDWRIQA-HOCLYGCPSA-N 2 0 261.413 2.790 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2)[C@H](C)C1 ZINC000162957088 378946210 /nfs/dbraw/zinc/94/62/10/378946210.db2.gz DVMMDWYSVCVXCI-CZUORRHYSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000162984000 378947790 /nfs/dbraw/zinc/94/77/90/378947790.db2.gz YZORIDNKZARCHZ-BFQNTYOBSA-N 2 0 282.378 2.826 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000434767000 296284852 /nfs/dbraw/zinc/28/48/52/296284852.db2.gz QRWPRLRARQCQAH-IWCQGFGOSA-N 2 0 294.483 2.779 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000163279979 378963746 /nfs/dbraw/zinc/96/37/46/378963746.db2.gz OSZKJWFSYIAHFW-GOEBONIOSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(CO)c1 ZINC000278562706 194045557 /nfs/dbraw/zinc/04/55/57/194045557.db2.gz WRHLLSCFQIJQCA-CQSZACIVSA-N 2 0 288.435 2.704 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423554932 296285355 /nfs/dbraw/zinc/28/53/55/296285355.db2.gz XJFHUKIEDSIXJA-FQKPHLNHSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)(C)c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335268695 378994764 /nfs/dbraw/zinc/99/47/64/378994764.db2.gz GRAABDTXVUTYFC-BETUJISGSA-N 2 0 293.480 2.872 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000334265334 379002011 /nfs/dbraw/zinc/00/20/11/379002011.db2.gz MGTFNASKINRAHZ-WCQYABFASA-N 2 0 260.372 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000334265333 379002111 /nfs/dbraw/zinc/00/21/11/379002111.db2.gz MGTFNASKINRAHZ-DGCLKSJQSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccncc1Cl)CC[NH2+]CC2 ZINC000335278675 379016437 /nfs/dbraw/zinc/01/64/37/379016437.db2.gz MTCREYTZPKCYIT-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(F)cc1F)CC[NH2+]CC2 ZINC000335279541 379017331 /nfs/dbraw/zinc/01/73/31/379017331.db2.gz QYNJZYSOXKQGLY-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(F)c1F)CC[NH2+]CC2 ZINC000335281797 379022650 /nfs/dbraw/zinc/02/26/50/379022650.db2.gz YKAUYYJZOFKZAS-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000165306341 379035156 /nfs/dbraw/zinc/03/51/56/379035156.db2.gz PHDIUMPVSZEDHT-SJLPKXTDSA-N 2 0 290.451 2.566 20 0 CFADRP C[NH2+][C@@H]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000335287367 379029160 /nfs/dbraw/zinc/02/91/60/379029160.db2.gz DLZIUMNMSHZUAP-CYBMUJFWSA-N 2 0 255.365 2.650 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)ccc2[nH]1 ZINC000334282446 379029878 /nfs/dbraw/zinc/02/98/78/379029878.db2.gz IAKXLXJGAHZVOU-LRDDRELGSA-N 2 0 271.408 2.906 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1F ZINC000165925518 379043555 /nfs/dbraw/zinc/04/35/55/379043555.db2.gz MWWOISORMKVPAW-KBPBESRZSA-N 2 0 282.403 2.833 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1 ZINC000165958900 379046130 /nfs/dbraw/zinc/04/61/30/379046130.db2.gz AGJOAXTXXRUKFG-GDBMZVCRSA-N 2 0 264.413 2.694 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)N(C3CC3)C1)CC2 ZINC000166261369 379051607 /nfs/dbraw/zinc/05/16/07/379051607.db2.gz QHVQNNWSAQUMIS-XAYKYTGQSA-N 2 0 286.419 2.897 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2C)[C@H](C)C1 ZINC000166884305 379064352 /nfs/dbraw/zinc/06/43/52/379064352.db2.gz RUXQPVQCXSKQGN-RHSMWYFYSA-N 2 0 278.415 2.997 20 0 CFADRP COC1([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)CCCC1 ZINC000421863800 284746877 /nfs/dbraw/zinc/74/68/77/284746877.db2.gz ZAWDNURGYFVXAA-AWEZNQCLSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cnc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000335364472 379167379 /nfs/dbraw/zinc/16/73/79/379167379.db2.gz AGRRQTXDNIKHDO-SFHVURJKSA-N 2 0 287.451 2.659 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000680000547 542263798 /nfs/dbraw/zinc/26/37/98/542263798.db2.gz BTRJSLCWPLQHIE-UHFFFAOYSA-N 2 0 278.444 2.744 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000335374061 379184220 /nfs/dbraw/zinc/18/42/20/379184220.db2.gz WDACIANQYJAKMC-DZGCQCFKSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000335374064 379183080 /nfs/dbraw/zinc/18/30/80/379183080.db2.gz WDACIANQYJAKMC-ZFWWWQNUSA-N 2 0 266.429 2.551 20 0 CFADRP CCc1cnc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC000334380948 379195517 /nfs/dbraw/zinc/19/55/17/379195517.db2.gz DXGJWWXIXGNANE-OAHLLOKOSA-N 2 0 279.453 2.623 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccncc1Cl ZINC000334405208 379241220 /nfs/dbraw/zinc/24/12/20/379241220.db2.gz GBIBKRBTFYZFBJ-NWDGAFQWSA-N 2 0 265.788 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C/C=C/c2ccncc2)C1 ZINC000334428518 379280611 /nfs/dbraw/zinc/28/06/11/379280611.db2.gz SNOJNERNLUQHOL-OPWDRZIMSA-N 2 0 271.408 2.511 20 0 CFADRP Cc1nc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)s1 ZINC000334446294 379315186 /nfs/dbraw/zinc/31/51/86/379315186.db2.gz PLRSOPHQJWAMTR-OAHLLOKOSA-N 2 0 279.453 2.678 20 0 CFADRP Fc1ccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335483267 379379849 /nfs/dbraw/zinc/37/98/49/379379849.db2.gz MBENNVQQYBFYGY-HZPDHXFCSA-N 2 0 262.372 2.803 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000335499148 379405746 /nfs/dbraw/zinc/40/57/46/379405746.db2.gz AQBCDIQZLXVWJN-FDZGAKKTSA-N 2 0 266.335 2.812 20 0 CFADRP C[C@]1(O)CCC[N@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000335530862 379460310 /nfs/dbraw/zinc/46/03/10/379460310.db2.gz ZFPMYIXQDZONAG-HNNXBMFYSA-N 2 0 291.420 2.671 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000571902161 383737482 /nfs/dbraw/zinc/73/74/82/383737482.db2.gz WHTGADJIHCTZGI-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551574 379496624 /nfs/dbraw/zinc/49/66/24/379496624.db2.gz JSXMAESTVYEJMD-GFCCVEGCSA-N 2 0 271.191 2.790 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335570482 379529814 /nfs/dbraw/zinc/52/98/14/379529814.db2.gz UVVFPFAOLADJME-INIZCTEOSA-N 2 0 274.408 2.759 20 0 CFADRP c1cnc2ccc(CN3CCC4(CC[NH2+]4)CC3)cc2c1 ZINC000335562388 379515572 /nfs/dbraw/zinc/51/55/72/379515572.db2.gz VLHDQHUINQXGAQ-UHFFFAOYSA-N 2 0 267.376 2.563 20 0 CFADRP Cc1ccccc1-n1nccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000334587544 379581308 /nfs/dbraw/zinc/58/13/08/379581308.db2.gz PFZUGDMOJWPIAB-UHFFFAOYSA-N 2 0 296.418 2.509 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000335631924 379630886 /nfs/dbraw/zinc/63/08/86/379630886.db2.gz CRQPULAUIWYELW-KBPBESRZSA-N 2 0 264.438 2.878 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cc[nH+]cc1C(F)(F)F ZINC001168768472 781971138 /nfs/dbraw/zinc/97/11/38/781971138.db2.gz XBPAUNMNJBPVNT-UHFFFAOYSA-N 2 0 275.318 2.522 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000267292296 190318698 /nfs/dbraw/zinc/31/86/98/190318698.db2.gz YCNSAOVXPJUQIJ-AWEZNQCLSA-N 2 0 276.424 2.558 20 0 CFADRP CCCCc1noc(CN2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000267453838 190332062 /nfs/dbraw/zinc/33/20/62/190332062.db2.gz SFYPDXHKGWSXDD-LBPRGKRZSA-N 2 0 289.383 2.515 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCOCC12CCCCC2 ZINC000334690737 379773468 /nfs/dbraw/zinc/77/34/68/379773468.db2.gz RZOAPMLEIQVWDA-OAHLLOKOSA-N 2 0 266.429 2.506 20 0 CFADRP CSCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173781580 379777227 /nfs/dbraw/zinc/77/72/27/379777227.db2.gz RKHGKTWXBLHYQA-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP C[N@H+](CCCCCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174397663 379878393 /nfs/dbraw/zinc/87/83/93/379878393.db2.gz MBEDJBYVDDNRCC-GOSISDBHSA-N 2 0 290.451 2.603 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000334852847 379932044 /nfs/dbraw/zinc/93/20/44/379932044.db2.gz BBZOYEWQTBLKCE-QLOLRVAOSA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335011017 379955485 /nfs/dbraw/zinc/95/54/85/379955485.db2.gz DYGJOEXUQKAIFJ-RDJZCZTQSA-N 2 0 273.424 2.794 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335017578 379957924 /nfs/dbraw/zinc/95/79/24/379957924.db2.gz ZPOWAUMMBVUNPT-CXAGYDPISA-N 2 0 258.409 2.651 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000335235040 380055332 /nfs/dbraw/zinc/05/53/32/380055332.db2.gz CZMPJUUOSSDZPF-MSOLQXFVSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000335241841 380065766 /nfs/dbraw/zinc/06/57/66/380065766.db2.gz OOZHZMHEWUXSET-JKSUJKDBSA-N 2 0 289.423 2.690 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335908082 380088360 /nfs/dbraw/zinc/08/83/60/380088360.db2.gz BCUUNXUPKILJHZ-VXGBXAGGSA-N 2 0 282.790 2.563 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000335909521 380091777 /nfs/dbraw/zinc/09/17/77/380091777.db2.gz QHTZFXJRMGFBCJ-OAHLLOKOSA-N 2 0 280.456 2.536 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC[C@H]1C ZINC000335990514 380204301 /nfs/dbraw/zinc/20/43/01/380204301.db2.gz HYMNWJGSNMVENV-GFCCVEGCSA-N 2 0 288.420 2.513 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000336021875 380249595 /nfs/dbraw/zinc/24/95/95/380249595.db2.gz QOVZBRYILVFQSC-QZTJIDSGSA-N 2 0 293.414 2.790 20 0 CFADRP c1csc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000336053676 380258586 /nfs/dbraw/zinc/25/85/86/380258586.db2.gz BRGVTZSHRSNVMB-CHWSQXEVSA-N 2 0 250.411 2.885 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])CC(C)C ZINC000422834740 284825045 /nfs/dbraw/zinc/82/50/45/284825045.db2.gz XJMGPNANPXWPIB-ULQDDVLXSA-N 2 0 283.504 2.850 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336345909 380325450 /nfs/dbraw/zinc/32/54/50/380325450.db2.gz MFVBNRGYGZOBAA-SJKOYZFVSA-N 2 0 274.383 2.911 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCCC1 ZINC000177303214 380327281 /nfs/dbraw/zinc/32/72/81/380327281.db2.gz GCISXBZZKMKOTO-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000400362083 284825483 /nfs/dbraw/zinc/82/54/83/284825483.db2.gz CIYJLWVSXYJQCG-KBAYOESNSA-N 2 0 289.467 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccsc2)[C@H](C)C1 ZINC000177727029 380375255 /nfs/dbraw/zinc/37/52/55/380375255.db2.gz OTINXKLLUQMMRC-OCCSQVGLSA-N 2 0 252.427 2.611 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1Cl ZINC000336442488 380347481 /nfs/dbraw/zinc/34/74/81/380347481.db2.gz ZCFPOFHKXIPUNA-WCQYABFASA-N 2 0 265.788 2.574 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000336440357 380347811 /nfs/dbraw/zinc/34/78/11/380347811.db2.gz FHUXMDLTRQZJOY-WCQYABFASA-N 2 0 260.372 2.884 20 0 CFADRP CCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177501586 380350365 /nfs/dbraw/zinc/35/03/65/380350365.db2.gz CRBAWYZEPZWCMX-GASCZTMLSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178036593 380403765 /nfs/dbraw/zinc/40/37/65/380403765.db2.gz NIXUZCSVHSUWIG-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000336792677 380639356 /nfs/dbraw/zinc/63/93/56/380639356.db2.gz SYZDUCANXFJSNG-ZDUSSCGKSA-N 2 0 252.377 2.784 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1OC ZINC000336792458 380640129 /nfs/dbraw/zinc/64/01/29/380640129.db2.gz SFGOQNJGCPNHTA-JSGCOSHPSA-N 2 0 250.386 2.863 20 0 CFADRP Cc1[nH+]ccc(NCC[NH+]2CCC(C)CC2)c1Cl ZINC000336793368 380640879 /nfs/dbraw/zinc/64/08/79/380640879.db2.gz WLCYUNJLMJDFAR-UHFFFAOYSA-N 2 0 267.804 2.609 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCSC)CC1 ZINC000336706397 380600486 /nfs/dbraw/zinc/60/04/86/380600486.db2.gz GBPRYQMQZLVNIS-UHFFFAOYSA-N 2 0 258.475 2.793 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000336707014 380601278 /nfs/dbraw/zinc/60/12/78/380601278.db2.gz LQPHSHMWURYAOY-SKDRFNHKSA-N 2 0 254.374 2.547 20 0 CFADRP Cc1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000336714140 380604773 /nfs/dbraw/zinc/60/47/73/380604773.db2.gz QGSRNLNEVOXQJL-UHFFFAOYSA-N 2 0 267.442 2.615 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOCc3ccccc3)C[C@H]21 ZINC000336719525 380610605 /nfs/dbraw/zinc/61/06/05/380610605.db2.gz SOMFCSOEWSKZND-RCCFBDPRSA-N 2 0 288.435 2.653 20 0 CFADRP C[C@@H]1CC[N@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000336720303 380611629 /nfs/dbraw/zinc/61/16/29/380611629.db2.gz SWJGZSUWBSOZDX-NVXWUHKLSA-N 2 0 276.424 2.510 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000336729966 380617994 /nfs/dbraw/zinc/61/79/94/380617994.db2.gz XSESSQBJSJCQGY-JTQLQIEISA-N 2 0 256.777 2.566 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000180460442 380664447 /nfs/dbraw/zinc/66/44/47/380664447.db2.gz KPQPTIOBKSGKIE-HOTGVXAUSA-N 2 0 298.496 2.504 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000336804800 380660934 /nfs/dbraw/zinc/66/09/34/380660934.db2.gz LFIQRXYVOGMFBI-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181137306 380746812 /nfs/dbraw/zinc/74/68/12/380746812.db2.gz OOGYCKGFTRGEOD-ARFHVFGLSA-N 2 0 282.472 2.996 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000181392904 380785535 /nfs/dbraw/zinc/78/55/35/380785535.db2.gz RCHAFGRGLWUIBB-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000341184462 380820709 /nfs/dbraw/zinc/82/07/09/380820709.db2.gz JFHHGCQXGFMOGP-HLLBOEOZSA-N 2 0 290.455 2.611 20 0 CFADRP FC(F)(F)CC[N@H+](CC1CC1)C[C@H]1CCC[NH2+]C1 ZINC000346998920 380862492 /nfs/dbraw/zinc/86/24/92/380862492.db2.gz YMOSLIBQFMPYOB-LBPRGKRZSA-N 2 0 264.335 2.650 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401019505 380866518 /nfs/dbraw/zinc/86/65/18/380866518.db2.gz KBECPZZQMYSGOM-VWNJHIHFSA-N 2 0 276.399 2.734 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(F)c1 ZINC000401012250 380867066 /nfs/dbraw/zinc/86/70/66/380867066.db2.gz MYMYZDJMYFFNGI-ATVPRXPUSA-N 2 0 262.372 2.864 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000347003952 380868423 /nfs/dbraw/zinc/86/84/23/380868423.db2.gz AFGITVCWHUEHLM-PBHICJAKSA-N 2 0 276.424 2.891 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347003461 380868562 /nfs/dbraw/zinc/86/85/62/380868562.db2.gz LLNZYNXLQGDESN-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP C(CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000347004409 380871769 /nfs/dbraw/zinc/87/17/69/380871769.db2.gz NRIAZJBIGXRBLD-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000181711797 380872159 /nfs/dbraw/zinc/87/21/59/380872159.db2.gz FNSCWGSSBJQSAG-XJKSGUPXSA-N 2 0 296.842 2.929 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000181711835 380872224 /nfs/dbraw/zinc/87/22/24/380872224.db2.gz FNSCWGSSBJQSAG-BBRMVZONSA-N 2 0 296.842 2.929 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000346980653 380842161 /nfs/dbraw/zinc/84/21/61/380842161.db2.gz MHAJRCNFMOFNLC-SJLPKXTDSA-N 2 0 287.451 2.587 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346982170 380843718 /nfs/dbraw/zinc/84/37/18/380843718.db2.gz NKTAJBYZQONZTC-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP Clc1cccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346987023 380849890 /nfs/dbraw/zinc/84/98/90/380849890.db2.gz QLCCKAVNGLZZHU-GFCCVEGCSA-N 2 0 264.800 2.918 20 0 CFADRP C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400326379 380854428 /nfs/dbraw/zinc/85/44/28/380854428.db2.gz DMIUEDGMWMLSMH-WBVHZDCISA-N 2 0 276.424 2.714 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2Cl)CC1 ZINC000346995415 380859111 /nfs/dbraw/zinc/85/91/11/380859111.db2.gz BFVNLNLKJSNPQT-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP Fc1ccc(CC[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000346995497 380860112 /nfs/dbraw/zinc/86/01/12/380860112.db2.gz VZBJUSZZWIBDOD-HNNXBMFYSA-N 2 0 276.399 2.832 20 0 CFADRP c1ccc(COC[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000347016804 380883503 /nfs/dbraw/zinc/88/35/03/380883503.db2.gz YWOHNERFFXAQJH-MSOLQXFVSA-N 2 0 288.435 2.525 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000353847167 380897783 /nfs/dbraw/zinc/89/77/83/380897783.db2.gz PNFQSCOKPXVOCX-ZDUSSCGKSA-N 2 0 296.455 2.713 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347040172 380898271 /nfs/dbraw/zinc/89/82/71/380898271.db2.gz HPZBTDDCFOROPP-SWLSCSKDSA-N 2 0 292.471 2.814 20 0 CFADRP CCC[C@@H](C)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050942 380903176 /nfs/dbraw/zinc/90/31/76/380903176.db2.gz IWPLOEUDWBBWBK-WBVHZDCISA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)(C)n1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000347091729 380932376 /nfs/dbraw/zinc/93/23/76/380932376.db2.gz GDGSGTONGLLJJW-INIZCTEOSA-N 2 0 290.455 2.602 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000347117609 380951477 /nfs/dbraw/zinc/95/14/77/380951477.db2.gz WQCIYIUTQQZJBC-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cs1 ZINC000295577082 380952133 /nfs/dbraw/zinc/95/21/33/380952133.db2.gz DLDVRNLVGXHULP-JKSUJKDBSA-N 2 0 294.464 2.524 20 0 CFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1C(C)(C)C1(C)C ZINC000353929883 380964035 /nfs/dbraw/zinc/96/40/35/380964035.db2.gz NNASIXNVVRZBBB-AWEZNQCLSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000347169986 380981739 /nfs/dbraw/zinc/98/17/39/380981739.db2.gz MTHWYCVJABQBAO-IBUXWKBASA-N 2 0 262.372 2.898 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347171975 380981837 /nfs/dbraw/zinc/98/18/37/380981837.db2.gz NYNHELYEHMLWRM-HNNXBMFYSA-N 2 0 267.376 2.529 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000347091853 380932725 /nfs/dbraw/zinc/93/27/25/380932725.db2.gz GLBCIPRQZQSMRN-UHFFFAOYSA-N 2 0 298.434 2.519 20 0 CFADRP COc1nc(C)cc(C)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000287802108 380942438 /nfs/dbraw/zinc/94/24/38/380942438.db2.gz OOKWXSCSHUUVCZ-HNNXBMFYSA-N 2 0 291.439 2.623 20 0 CFADRP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000182080771 380984625 /nfs/dbraw/zinc/98/46/25/380984625.db2.gz FYYJGMATTFRFCE-INIZCTEOSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)c1cnc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000347115905 380948619 /nfs/dbraw/zinc/94/86/19/380948619.db2.gz UHQPFCZSBFXAIV-FUNVUKJBSA-N 2 0 279.453 2.981 20 0 CFADRP [NH3+]C[C@H]1CCCCN1Cc1cc2cc(F)ccc2o1 ZINC000347115518 380948853 /nfs/dbraw/zinc/94/88/53/380948853.db2.gz USEDARVANCTPNJ-CYBMUJFWSA-N 2 0 262.328 2.885 20 0 CFADRP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347217577 381009226 /nfs/dbraw/zinc/00/92/26/381009226.db2.gz HCCZIZADHSFNQS-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC000368425431 381021109 /nfs/dbraw/zinc/02/11/09/381021109.db2.gz FFUPTMWWFCKXOT-IAGOWNOFSA-N 2 0 293.499 2.667 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000347176769 380986514 /nfs/dbraw/zinc/98/65/14/380986514.db2.gz RIRGWSPITMERJF-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000358648323 380989867 /nfs/dbraw/zinc/98/98/67/380989867.db2.gz IDWUZZBYKHFHMT-CQSZACIVSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@H](C[NH2+]C1CC(OC)C1)N1CCc2ccccc2C1 ZINC000347195227 380997330 /nfs/dbraw/zinc/99/73/30/380997330.db2.gz SZHQBJPSFPQRNW-LXPRWKDFSA-N 2 0 288.435 2.590 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC000368356078 381000487 /nfs/dbraw/zinc/00/04/87/381000487.db2.gz VOCDKNDAHWVHIU-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000368388814 381007973 /nfs/dbraw/zinc/00/79/73/381007973.db2.gz SZSQMNZVPKCIFM-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368531527 381058693 /nfs/dbraw/zinc/05/86/93/381058693.db2.gz VLSLDHSKJNPIQJ-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000354078129 381064860 /nfs/dbraw/zinc/06/48/60/381064860.db2.gz NORPRNCNHISIFC-MRXNPFEDSA-N 2 0 294.414 2.758 20 0 CFADRP C[N@H+](CCCc1ccncc1)CC[C@@H]1CCCC[NH+]1C ZINC000347316015 381066676 /nfs/dbraw/zinc/06/66/76/381066676.db2.gz UGRGANYQSWHWED-KRWDZBQOSA-N 2 0 275.440 2.820 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1O ZINC000347322201 381068350 /nfs/dbraw/zinc/06/83/50/381068350.db2.gz ZDODOSBYUYLPPK-IRXDYDNUSA-N 2 0 288.435 2.768 20 0 CFADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@H]1CCO[C@@H]12 ZINC000347269815 381038604 /nfs/dbraw/zinc/03/86/04/381038604.db2.gz OFWPLUCRMIPAEY-HHARLNAUSA-N 2 0 290.451 2.551 20 0 CFADRP CC(C)[N@@H+]1CCc2nc(CN(C)CC3CC3)sc2C1 ZINC000368610222 381083096 /nfs/dbraw/zinc/08/30/96/381083096.db2.gz DKNURPFESRJDJK-UHFFFAOYSA-N 2 0 279.453 2.751 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000354155374 381112471 /nfs/dbraw/zinc/11/24/71/381112471.db2.gz LRNAHPZEMJACFL-CHWSQXEVSA-N 2 0 279.815 2.964 20 0 CFADRP COc1ccccc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354100422 381078073 /nfs/dbraw/zinc/07/80/73/381078073.db2.gz MJNHMBXESNBRGG-INIZCTEOSA-N 2 0 288.435 2.859 20 0 CFADRP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC[C@@H]1CCCCO1 ZINC000347433100 381148144 /nfs/dbraw/zinc/14/81/44/381148144.db2.gz GNSBPRDIQYAZRG-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2)C[C@H]1C ZINC000354226176 381150983 /nfs/dbraw/zinc/15/09/83/381150983.db2.gz VDCWWUHVPKQFGG-HZPDHXFCSA-N 2 0 276.424 2.870 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2)C[C@H]1C ZINC000354226174 381151548 /nfs/dbraw/zinc/15/15/48/381151548.db2.gz VDCWWUHVPKQFGG-CVEARBPZSA-N 2 0 276.424 2.870 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000295872210 381128136 /nfs/dbraw/zinc/12/81/36/381128136.db2.gz HDSOCYQNCZUVFK-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296028361 381219563 /nfs/dbraw/zinc/21/95/63/381219563.db2.gz SPPWJANIGAWYBT-AVOUXACISA-N 2 0 259.397 2.666 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289868844 381195932 /nfs/dbraw/zinc/19/59/32/381195932.db2.gz RDRYFCWWFNCSMT-UKRRQHHQSA-N 2 0 296.480 2.882 20 0 CFADRP Fc1cccc(O[C@H]2CC[N@H+](CCCn3ccnc3)C2)c1 ZINC000183368684 381262411 /nfs/dbraw/zinc/26/24/11/381262411.db2.gz ZQXFAORKFTYAFE-INIZCTEOSA-N 2 0 289.354 2.566 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000289939785 381224439 /nfs/dbraw/zinc/22/44/39/381224439.db2.gz ZJQXMGXHSLKHGW-GOSISDBHSA-N 2 0 287.451 2.929 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000290079988 381289810 /nfs/dbraw/zinc/28/98/10/381289810.db2.gz GSJGFIFFXGVLIF-LSDHHAIUSA-N 2 0 278.440 2.945 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccccc2)O1 ZINC000359214609 381291181 /nfs/dbraw/zinc/29/11/81/381291181.db2.gz JQTIUYSQHMLTHV-MAUKXSAKSA-N 2 0 288.435 2.838 20 0 CFADRP CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000359215121 381291855 /nfs/dbraw/zinc/29/18/55/381291855.db2.gz QGWUSSVFEFCXPK-UHFFFAOYSA-N 2 0 290.407 2.627 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000359219818 381292896 /nfs/dbraw/zinc/29/28/96/381292896.db2.gz VXJUVJIZZVFHMF-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)CCOC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359230949 381301506 /nfs/dbraw/zinc/30/15/06/381301506.db2.gz ZPFOLOKYUPBSSI-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2)[C@@H]1c1ccccc1 ZINC000369477496 381272895 /nfs/dbraw/zinc/27/28/95/381272895.db2.gz AKMNGTURBKFSHS-MSOLQXFVSA-N 2 0 281.403 2.864 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCc1cncn1C ZINC000290146985 381320806 /nfs/dbraw/zinc/32/08/06/381320806.db2.gz WHOAAVUWWNUODQ-NSHDSACASA-N 2 0 279.334 2.934 20 0 CFADRP C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@H]1CCCOC1 ZINC000342424009 381324882 /nfs/dbraw/zinc/32/48/82/381324882.db2.gz DITRYCNOUZMKEK-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000369849361 381342390 /nfs/dbraw/zinc/34/23/90/381342390.db2.gz BKSFPBUKZKWWOC-DZJNRPSUSA-N 2 0 288.435 2.694 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000359299014 381334464 /nfs/dbraw/zinc/33/44/64/381334464.db2.gz ZTDAKBADZJNVRX-BBWFWOEESA-N 2 0 273.424 2.995 20 0 CFADRP c1cc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2s1 ZINC000369670741 381310614 /nfs/dbraw/zinc/31/06/14/381310614.db2.gz ACYNPVKDSLXYOQ-NEPJUHHUSA-N 2 0 273.405 2.757 20 0 CFADRP c1cc2nccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2s1 ZINC000369670743 381310760 /nfs/dbraw/zinc/31/07/60/381310760.db2.gz ACYNPVKDSLXYOQ-RYUDHWBXSA-N 2 0 273.405 2.757 20 0 CFADRP CC(C)n1nccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000354517463 381315965 /nfs/dbraw/zinc/31/59/65/381315965.db2.gz XYCUDHNDSQZWPD-UHFFFAOYSA-N 2 0 278.444 2.674 20 0 CFADRP C[C@@H](CN(C)CCC[NH+]1CCCC1)c1nccs1 ZINC000183950657 381346011 /nfs/dbraw/zinc/34/60/11/381346011.db2.gz XCTLFIUHAXMALX-ZDUSSCGKSA-N 2 0 267.442 2.664 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354586866 381355338 /nfs/dbraw/zinc/35/53/38/381355338.db2.gz QTFZGAMLGGGPGZ-OAHLLOKOSA-N 2 0 295.515 2.674 20 0 CFADRP CCC1CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000342586725 381417151 /nfs/dbraw/zinc/41/71/51/381417151.db2.gz APKKWOWEEFDNCK-UYJHFMRCSA-N 2 0 288.435 2.531 20 0 CFADRP CC(C)[C@H]1CC[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347916884 381412908 /nfs/dbraw/zinc/41/29/08/381412908.db2.gz KXDZOYCEMMGPCM-LBPRGKRZSA-N 2 0 267.442 2.683 20 0 CFADRP Cc1ccncc1CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000290319181 381381695 /nfs/dbraw/zinc/38/16/95/381381695.db2.gz JKONKDXJUATULB-AYHJJNSGSA-N 2 0 287.451 2.928 20 0 CFADRP c1nn2ccccc2c1CNC1CC[NH+](C2CCCC2)CC1 ZINC000370112880 381387725 /nfs/dbraw/zinc/38/77/25/381387725.db2.gz PXJPLQKJPJXFRY-UHFFFAOYSA-N 2 0 298.434 2.831 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290337123 381390501 /nfs/dbraw/zinc/39/05/01/381390501.db2.gz FEWAFTALVSRCHA-ZWKOTPCHSA-N 2 0 288.435 2.749 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000296427581 381390597 /nfs/dbraw/zinc/39/05/97/381390597.db2.gz LWEICMACCBOWEK-ZFWWWQNUSA-N 2 0 295.496 2.733 20 0 CFADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1cccs1 ZINC000370162460 381397753 /nfs/dbraw/zinc/39/77/53/381397753.db2.gz OUTBIDSAAATHOX-YPMHNXCESA-N 2 0 294.468 2.653 20 0 CFADRP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000290430450 381426685 /nfs/dbraw/zinc/42/66/85/381426685.db2.gz LGPJCTZQAMIKSX-DZGCQCFKSA-N 2 0 264.438 2.973 20 0 CFADRP CCc1oc2ccccc2c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359477974 381427295 /nfs/dbraw/zinc/42/72/95/381427295.db2.gz WGQSMNVQIMKTDN-CHWSQXEVSA-N 2 0 270.376 2.646 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](C)C1CCCCC1 ZINC000347952407 381430652 /nfs/dbraw/zinc/43/06/52/381430652.db2.gz DKXPESOXKRPMJU-VYDXJSESSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@@H](CO)[N@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000342635337 381447718 /nfs/dbraw/zinc/44/77/18/381447718.db2.gz QKDQMADTTDWFPO-KRWDZBQOSA-N 2 0 287.407 2.546 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC000290409340 381419786 /nfs/dbraw/zinc/41/97/86/381419786.db2.gz JYCZEJWPQYWLBB-HNNXBMFYSA-N 2 0 264.438 2.912 20 0 CFADRP CCC1CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000342694326 381483738 /nfs/dbraw/zinc/48/37/38/381483738.db2.gz DWHCISATSAMZQR-BNICSPFPSA-N 2 0 280.456 2.533 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000342699204 381485461 /nfs/dbraw/zinc/48/54/61/381485461.db2.gz VOZYJFNTYHOGST-UHFFFAOYSA-N 2 0 282.378 2.781 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccs2)C1 ZINC000290530978 381467915 /nfs/dbraw/zinc/46/79/15/381467915.db2.gz QRVADGPFTYWLNB-TZMCWYRMSA-N 2 0 250.411 2.664 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@H]1c1ccccc1 ZINC000370754020 381505553 /nfs/dbraw/zinc/50/55/53/381505553.db2.gz NXEWRRJWGVASHC-QZTJIDSGSA-N 2 0 286.419 2.616 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000348324266 381508969 /nfs/dbraw/zinc/50/89/69/381508969.db2.gz SXTSKJHIELJJDM-SJORKVTESA-N 2 0 292.471 2.763 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000359629818 381520981 /nfs/dbraw/zinc/52/09/81/381520981.db2.gz GRGJRXRZYMDPMF-LLVKDONJSA-N 2 0 264.335 2.959 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000342703846 381490104 /nfs/dbraw/zinc/49/01/04/381490104.db2.gz QRCTUFYYWBNACW-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000290591140 381491427 /nfs/dbraw/zinc/49/14/27/381491427.db2.gz VHKXRPZYUPVZCC-ZBFHGGJFSA-N 2 0 274.408 2.611 20 0 CFADRP C[N@@H+](Cc1cccnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354863580 381494009 /nfs/dbraw/zinc/49/40/09/381494009.db2.gz SKIQTBQSWJDELS-UHFFFAOYSA-N 2 0 296.418 2.825 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC[C@@H](C)O)CC1 ZINC000354878564 381502376 /nfs/dbraw/zinc/50/23/76/381502376.db2.gz LOAMNUCWWIKTLO-OAHLLOKOSA-N 2 0 270.461 2.591 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000359658656 381537155 /nfs/dbraw/zinc/53/71/55/381537155.db2.gz DTHJIABWCLUWES-NSHDSACASA-N 2 0 267.804 2.727 20 0 CFADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[C@H]1CCCCO1 ZINC000354988472 381552737 /nfs/dbraw/zinc/55/27/37/381552737.db2.gz OLGRJDDNWQVXDA-BZUAXINKSA-N 2 0 266.429 2.552 20 0 CFADRP COC1(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)CCCC1 ZINC000359678440 381550295 /nfs/dbraw/zinc/55/02/95/381550295.db2.gz NXRXZCCRZQCPNR-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000354932577 381527456 /nfs/dbraw/zinc/52/74/56/381527456.db2.gz DXXDAIDDOLZNRX-UHFFFAOYSA-N 2 0 287.451 2.883 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@H](C)C1 ZINC000414284101 381574149 /nfs/dbraw/zinc/57/41/49/381574149.db2.gz QCGKFRYVUMIXLZ-TUAOUCFPSA-N 2 0 266.351 2.895 20 0 CFADRP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCCC1 ZINC000359721570 381578937 /nfs/dbraw/zinc/57/89/37/381578937.db2.gz OQQGDJJALNBTAM-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000414315224 381579532 /nfs/dbraw/zinc/57/95/32/381579532.db2.gz RQUIMRBHULKTKP-BKAAIYKLSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1(C)C ZINC000185185471 381557408 /nfs/dbraw/zinc/55/74/08/381557408.db2.gz AEXGMBZZEZOGFF-ZIAGYGMSSA-N 2 0 270.461 2.756 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(C)c1 ZINC000414071353 381560168 /nfs/dbraw/zinc/56/01/68/381560168.db2.gz KNMJAZOMFXTUAE-KBPBESRZSA-N 2 0 264.413 2.994 20 0 CFADRP C[C@@H]1CC[C@@H]([N@H+](C)Cc2ncc(CN(C)C)s2)C1 ZINC000348417002 381560351 /nfs/dbraw/zinc/56/03/51/381560351.db2.gz XSSGZZBGTHLKEA-VXGBXAGGSA-N 2 0 267.442 2.825 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000185196918 381561183 /nfs/dbraw/zinc/56/11/83/381561183.db2.gz UPUTZNRYVLIPHM-CWRNSKLLSA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000348424898 381565062 /nfs/dbraw/zinc/56/50/62/381565062.db2.gz RJXYSPCXRDEJAG-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000414178437 381568448 /nfs/dbraw/zinc/56/84/48/381568448.db2.gz JUYJUSKXRDBWFW-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000185219833 381568446 /nfs/dbraw/zinc/56/84/46/381568446.db2.gz ZGNDKCBSAGHGRS-HUUCEWRRSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000414198174 381571038 /nfs/dbraw/zinc/57/10/38/381571038.db2.gz WFJHPVSFJZRIOE-DOTOQJQBSA-N 2 0 288.435 2.702 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC2CCCCC2)CC1 ZINC000414684834 381597725 /nfs/dbraw/zinc/59/77/25/381597725.db2.gz WYVKHDOBIPYDFK-QGZVFWFLSA-N 2 0 281.488 2.558 20 0 CFADRP CCS[C@@H]1CC[C@@H](N(C)CC[NH2+]C(C)(C)C)C1 ZINC000414707593 381600174 /nfs/dbraw/zinc/60/01/74/381600174.db2.gz OGJAGHWJNNCRCZ-CHWSQXEVSA-N 2 0 258.475 2.981 20 0 CFADRP CCN(CC)CC[N@H+](CC(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414697331 381600519 /nfs/dbraw/zinc/60/05/19/381600519.db2.gz GVYZQUMQFUYVBX-DLBZAZTESA-N 2 0 283.504 2.674 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414849039 381607839 /nfs/dbraw/zinc/60/78/39/381607839.db2.gz HBSQDAQBPNJLGR-USXIJHARSA-N 2 0 260.425 2.985 20 0 CFADRP COCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[C@@H](C)C1 ZINC000414752810 381602595 /nfs/dbraw/zinc/60/25/95/381602595.db2.gz LJBZIPJGVKPJOK-KLHDSHLOSA-N 2 0 268.445 2.512 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788202 381604895 /nfs/dbraw/zinc/60/48/95/381604895.db2.gz WKVHHDLVBMIFRK-QWHCGFSZSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788550 381605278 /nfs/dbraw/zinc/60/52/78/381605278.db2.gz XATPPVAXXFGNIW-DOTOQJQBSA-N 2 0 258.409 2.817 20 0 CFADRP FC(F)O[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000348523060 381608244 /nfs/dbraw/zinc/60/82/44/381608244.db2.gz BKFARTMGIAPONW-OLZOCXBDSA-N 2 0 276.371 2.612 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]C1 ZINC000414901539 381611588 /nfs/dbraw/zinc/61/15/88/381611588.db2.gz GCYUOKFVVKIYDX-JKSUJKDBSA-N 2 0 278.827 2.787 20 0 CFADRP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000371393279 381611814 /nfs/dbraw/zinc/61/18/14/381611814.db2.gz NJXSKUAQVABPLJ-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414921811 381611879 /nfs/dbraw/zinc/61/18/79/381611879.db2.gz FZFPOPPCJDBIRY-VXGBXAGGSA-N 2 0 267.442 2.701 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903950 381612005 /nfs/dbraw/zinc/61/20/05/381612005.db2.gz JDLVOYPKLDIPHV-WDEREUQCSA-N 2 0 252.324 2.697 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000414927262 381616442 /nfs/dbraw/zinc/61/64/42/381616442.db2.gz ONLLYNUWBXPWQR-LSDHHAIUSA-N 2 0 262.397 2.705 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355110806 381617954 /nfs/dbraw/zinc/61/79/54/381617954.db2.gz CACOJAZOMDRYJX-XNIRIUNOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414927858 381617937 /nfs/dbraw/zinc/61/79/37/381617937.db2.gz AENRCRUGACACDZ-ZWNOBZJWSA-N 2 0 272.314 2.936 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000414938855 381629064 /nfs/dbraw/zinc/62/90/64/381629064.db2.gz DTAUEURIMUHGNC-BXUZGUMPSA-N 2 0 297.240 2.845 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414930889 381620439 /nfs/dbraw/zinc/62/04/39/381620439.db2.gz BKLQAOQMLCYLMT-WOSRLPQWSA-N 2 0 264.388 2.734 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000414930071 381620608 /nfs/dbraw/zinc/62/06/08/381620608.db2.gz SLCPUSNDSFGGMR-VXGBXAGGSA-N 2 0 288.313 2.945 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414934686 381625015 /nfs/dbraw/zinc/62/50/15/381625015.db2.gz VIJJSZZPIWGBPX-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000355122424 381627799 /nfs/dbraw/zinc/62/77/99/381627799.db2.gz JNCUQWLBVIJIBO-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414944575 381635616 /nfs/dbraw/zinc/63/56/16/381635616.db2.gz QFIHZYJESCHALV-ZOBUZTSGSA-N 2 0 260.425 2.904 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946045 381636145 /nfs/dbraw/zinc/63/61/45/381636145.db2.gz JGNWNRQRYSUQKE-KBRIMQKVSA-N 2 0 294.414 2.503 20 0 CFADRP CCC[C@H](C[NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414945289 381636561 /nfs/dbraw/zinc/63/65/61/381636561.db2.gz PWMDCCSSMHRVBE-QZTJIDSGSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCOCC1 ZINC000355137208 381636806 /nfs/dbraw/zinc/63/68/06/381636806.db2.gz QMIVUMBUWXQMQO-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)C[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000414941593 381631427 /nfs/dbraw/zinc/63/14/27/381631427.db2.gz AUPBMWIJWFKYBI-OWCLPIDISA-N 2 0 270.461 2.805 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[NH2+]1 ZINC000414946996 381638919 /nfs/dbraw/zinc/63/89/19/381638919.db2.gz KFCPQUHKCQHXEU-KDOFPFPSSA-N 2 0 281.403 2.979 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000414949304 381640784 /nfs/dbraw/zinc/64/07/84/381640784.db2.gz ZTHJLVZTJMRTNP-UHFFFAOYSA-N 2 0 262.397 2.706 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414952115 381642346 /nfs/dbraw/zinc/64/23/46/381642346.db2.gz QNBDIBWALBKVNM-CJNGLKHVSA-N 2 0 284.407 2.615 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1Br ZINC000414951666 381642446 /nfs/dbraw/zinc/64/24/46/381642446.db2.gz HXRIXTRQDZDYLK-BXUZGUMPSA-N 2 0 297.240 2.845 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414951183 381643144 /nfs/dbraw/zinc/64/31/44/381643144.db2.gz HCDHSUXWCFEOBS-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000414953322 381645578 /nfs/dbraw/zinc/64/55/78/381645578.db2.gz RJNPITIGEHOQKJ-YOEHRIQHSA-N 2 0 298.434 2.626 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414962570 381658021 /nfs/dbraw/zinc/65/80/21/381658021.db2.gz WJFJTADWHOETQD-MSOLQXFVSA-N 2 0 290.451 2.674 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298526098 381662772 /nfs/dbraw/zinc/66/27/72/381662772.db2.gz RVUIJVSHXPMEFB-UHFFFAOYSA-N 2 0 290.451 2.665 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414966516 381664245 /nfs/dbraw/zinc/66/42/45/381664245.db2.gz GMHVAVRRMRXYIB-OAHLLOKOSA-N 2 0 250.361 2.756 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185555612 381665636 /nfs/dbraw/zinc/66/56/36/381665636.db2.gz JZDUEKPHQDCEMI-UHFFFAOYSA-N 2 0 280.387 2.743 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414969604 381665967 /nfs/dbraw/zinc/66/59/67/381665967.db2.gz ZLCZLEIIQRYAGT-ZIAGYGMSSA-N 2 0 285.435 2.921 20 0 CFADRP CCCC[C@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414971926 381668334 /nfs/dbraw/zinc/66/83/34/381668334.db2.gz JOUKFMXBNZJYSS-AWEZNQCLSA-N 2 0 256.434 2.561 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414976040 381670873 /nfs/dbraw/zinc/67/08/73/381670873.db2.gz PMWHWNAZJRJLIM-HNNXBMFYSA-N 2 0 262.397 2.563 20 0 CFADRP COCC1(C[NH2+]CC[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000414977059 381671311 /nfs/dbraw/zinc/67/13/11/381671311.db2.gz QAWJAOGTSADUDN-MRXNPFEDSA-N 2 0 290.451 2.786 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414977083 381671344 /nfs/dbraw/zinc/67/13/44/381671344.db2.gz QIVBOFBKQCBIPH-CVEARBPZSA-N 2 0 282.472 2.809 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656258 381672663 /nfs/dbraw/zinc/67/26/63/381672663.db2.gz QYXWNMIOWNQFRQ-DLBZAZTESA-N 2 0 298.434 2.767 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414957636 381650923 /nfs/dbraw/zinc/65/09/23/381650923.db2.gz WEYPITWWCJBAFF-NFAWXSAZSA-N 2 0 264.388 2.877 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1 ZINC000415016188 381709996 /nfs/dbraw/zinc/70/99/96/381709996.db2.gz BTLIGLOOLWQQKR-HUUCEWRRSA-N 2 0 291.439 2.738 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000415016271 381710315 /nfs/dbraw/zinc/71/03/15/381710315.db2.gz CDYQOQBOVDZTCG-VIFPVBQESA-N 2 0 276.302 2.644 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000415016040 381710415 /nfs/dbraw/zinc/71/04/15/381710415.db2.gz OXCUYGHNAAFFDQ-NSHDSACASA-N 2 0 294.830 2.834 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000415016269 381710515 /nfs/dbraw/zinc/71/05/15/381710515.db2.gz CDYQOQBOVDZTCG-SECBINFHSA-N 2 0 276.302 2.644 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415015514 381710665 /nfs/dbraw/zinc/71/06/65/381710665.db2.gz ATJFHCRVKGELPL-JTQLQIEISA-N 2 0 265.382 2.620 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415017747 381711361 /nfs/dbraw/zinc/71/13/61/381711361.db2.gz FXVRGRFUONTWKN-ZDUSSCGKSA-N 2 0 262.397 2.692 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415018064 381712052 /nfs/dbraw/zinc/71/20/52/381712052.db2.gz GFWHSLHIDBPGJY-KGLIPLIRSA-N 2 0 264.413 2.733 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000415021141 381715001 /nfs/dbraw/zinc/71/50/01/381715001.db2.gz HKWMYIQVVWGMGE-HAQNSBGRSA-N 2 0 268.351 2.820 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414980005 381675850 /nfs/dbraw/zinc/67/58/50/381675850.db2.gz VYDPAANHSARECU-IOBAAEILSA-N 2 0 274.408 2.686 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414988942 381683159 /nfs/dbraw/zinc/68/31/59/381683159.db2.gz LTSBRPVSQIBEIP-BTWDLBAGSA-N 2 0 274.383 2.944 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2)[C@H]1c1ccccc1 ZINC000371723335 381686364 /nfs/dbraw/zinc/68/63/64/381686364.db2.gz JUYYFNUBLDIDBK-QZTJIDSGSA-N 2 0 281.403 2.864 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000415022468 381716522 /nfs/dbraw/zinc/71/65/22/381716522.db2.gz ZQKHJXIMFPBTHH-LBPRGKRZSA-N 2 0 292.452 2.756 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414995508 381687491 /nfs/dbraw/zinc/68/74/91/381687491.db2.gz WBMWDNXPVMBQFP-DGCLKSJQSA-N 2 0 297.830 2.692 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414996962 381688580 /nfs/dbraw/zinc/68/85/80/381688580.db2.gz GWGOICDQJGHJFG-JKSUJKDBSA-N 2 0 298.434 2.788 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415001516 381692753 /nfs/dbraw/zinc/69/27/53/381692753.db2.gz UXHMXHMEIMAUQW-WMLDXEAASA-N 2 0 298.434 2.992 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000348746557 381693159 /nfs/dbraw/zinc/69/31/59/381693159.db2.gz HNEGZALJDMHPTF-CYBMUJFWSA-N 2 0 264.388 2.818 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002872 381695044 /nfs/dbraw/zinc/69/50/44/381695044.db2.gz MOWQEGQRHUZJAP-JLJPHGGASA-N 2 0 294.414 2.533 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006128 381699032 /nfs/dbraw/zinc/69/90/32/381699032.db2.gz KAATZUAEVDWPJI-DLBZAZTESA-N 2 0 281.403 2.713 20 0 CFADRP CSCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673032 381701658 /nfs/dbraw/zinc/70/16/58/381701658.db2.gz RMWMWRRGWZYTJR-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415009058 381703221 /nfs/dbraw/zinc/70/32/21/381703221.db2.gz FHVDAMHFMHTBMQ-SDDRHHMPSA-N 2 0 297.830 2.691 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415010600 381704389 /nfs/dbraw/zinc/70/43/89/381704389.db2.gz PKHCQZIGKXIYJM-JCBPLVBSSA-N 2 0 286.419 2.686 20 0 CFADRP C[C@@H]([NH2+]CCCCCOc1ccccc1)[C@H](C)[NH3+] ZINC000415010891 381704464 /nfs/dbraw/zinc/70/44/64/381704464.db2.gz HIGBMGUSGMBVEV-UONOGXRCSA-N 2 0 250.386 2.561 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CC1CCOCC1 ZINC000415010465 381704596 /nfs/dbraw/zinc/70/45/96/381704596.db2.gz UXGYAMXIVGCKNH-NUEKZKHPSA-N 2 0 268.445 2.546 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)CCCC[NH3+])CCO1 ZINC000415012159 381706727 /nfs/dbraw/zinc/70/67/27/381706727.db2.gz IUVCANHDUCUART-ILXRZTDVSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415041911 381730503 /nfs/dbraw/zinc/73/05/03/381730503.db2.gz QGIPVLBICILKIF-XPKDYRNWSA-N 2 0 264.388 2.864 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCC[C@H](C)O)CC1)CC1CC1 ZINC000355291830 381731618 /nfs/dbraw/zinc/73/16/18/381731618.db2.gz NBHDBYQMILFEAD-INIZCTEOSA-N 2 0 296.499 2.981 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000415046005 381732112 /nfs/dbraw/zinc/73/21/12/381732112.db2.gz UUPWJKGPTSDDIX-GXSJLCMTSA-N 2 0 279.384 2.652 20 0 CFADRP COc1ccc(C2CCC([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000415044520 381732643 /nfs/dbraw/zinc/73/26/43/381732643.db2.gz VIWKWIQLCZVDBI-ZWASSCTRSA-N 2 0 286.419 2.529 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415044589 381733415 /nfs/dbraw/zinc/73/34/15/381733415.db2.gz SGZYAYXVHNCKLM-NVXWUHKLSA-N 2 0 290.451 2.711 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCCCC1 ZINC000360024071 381735428 /nfs/dbraw/zinc/73/54/28/381735428.db2.gz NCXOTLYKUUPPGK-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415051747 381735854 /nfs/dbraw/zinc/73/58/54/381735854.db2.gz ZPOJSZBWTHLGPQ-YPMHNXCESA-N 2 0 250.361 2.605 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1OCC(C)C ZINC000415055530 381741414 /nfs/dbraw/zinc/74/14/14/381741414.db2.gz GDVYTDWOGUDNKC-CQSZACIVSA-N 2 0 294.439 2.947 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415056664 381742487 /nfs/dbraw/zinc/74/24/87/381742487.db2.gz QCYASUFHSIQPMT-SFHVURJKSA-N 3 0 289.467 2.929 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000372060780 381745085 /nfs/dbraw/zinc/74/50/85/381745085.db2.gz LZHNARGJXZCPOM-IKGGRYGDSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](c2ccccc2)C1 ZINC000415060985 381746621 /nfs/dbraw/zinc/74/66/21/381746621.db2.gz KXOIKGRLDAWKKE-DOETWJALSA-N 2 0 270.420 2.766 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000415061087 381747133 /nfs/dbraw/zinc/74/71/33/381747133.db2.gz XVSRHMXOIISYGA-INIZCTEOSA-N 2 0 255.365 2.651 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415063818 381749111 /nfs/dbraw/zinc/74/91/11/381749111.db2.gz BBOPKDBRVSEDTL-ZDUSSCGKSA-N 2 0 264.388 2.879 20 0 CFADRP FC(F)COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415064608 381750020 /nfs/dbraw/zinc/75/00/20/381750020.db2.gz CZJZHXYNSHJTQL-UHFFFAOYSA-N 2 0 284.350 2.562 20 0 CFADRP c1ccc(CSCC[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415074238 381759390 /nfs/dbraw/zinc/75/93/90/381759390.db2.gz ZYYIWZBHWKWKDZ-UHFFFAOYSA-N 2 0 264.438 2.652 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415073398 381759472 /nfs/dbraw/zinc/75/94/72/381759472.db2.gz BDKPXYCAFMIIHK-PNESKVBLSA-N 2 0 252.427 2.786 20 0 CFADRP c1cnc(Oc2ccc(C[NH2+]CCC[NH2+]C3CC3)cc2)cn1 ZINC000415067332 381753262 /nfs/dbraw/zinc/75/32/62/381753262.db2.gz KPRFBHCHKHRLTK-UHFFFAOYSA-N 2 0 298.390 2.501 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415070650 381755801 /nfs/dbraw/zinc/75/58/01/381755801.db2.gz IVGCSEYDPLGDEP-GHMZBOCLSA-N 2 0 252.324 2.839 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OCC1CC1 ZINC000415026042 381718246 /nfs/dbraw/zinc/71/82/46/381718246.db2.gz SNAWWZDKFXROQJ-ZDUSSCGKSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415025988 381718443 /nfs/dbraw/zinc/71/84/43/381718443.db2.gz SJAKWWMNSDKYRP-HLLBOEOZSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000415026030 381718544 /nfs/dbraw/zinc/71/85/44/381718544.db2.gz SMQQHFMRWQUGNP-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000415027520 381719253 /nfs/dbraw/zinc/71/92/53/381719253.db2.gz AZSGUCORLNDGPB-HIFRSBDPSA-N 2 0 292.423 2.701 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415027969 381719418 /nfs/dbraw/zinc/71/94/18/381719418.db2.gz XOFZUUJLAISKIL-ZDUSSCGKSA-N 2 0 272.396 2.602 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000415028029 381719628 /nfs/dbraw/zinc/71/96/28/381719628.db2.gz BWTDNKXVJOWWIL-YRVYGCIDSA-N 2 0 258.409 2.896 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000415027524 381720009 /nfs/dbraw/zinc/72/00/09/381720009.db2.gz AZSGUCORLNDGPB-ZFWWWQNUSA-N 2 0 292.423 2.701 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000415027413 381720474 /nfs/dbraw/zinc/72/04/74/381720474.db2.gz WQVKFUAXJIWLGB-CHWSQXEVSA-N 2 0 252.377 2.864 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000415030311 381721228 /nfs/dbraw/zinc/72/12/28/381721228.db2.gz FNSFTRQCFKZVEK-IAQYHMDHSA-N 2 0 273.355 2.591 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415028430 381721711 /nfs/dbraw/zinc/72/17/11/381721711.db2.gz CUHZOCWLHXDNER-HZPDHXFCSA-N 2 0 298.434 2.706 20 0 CFADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OC(F)F ZINC000415028326 381722202 /nfs/dbraw/zinc/72/22/02/381722202.db2.gz YPEZRLYIYLDWSR-SNVBAGLBSA-N 2 0 288.338 2.514 20 0 CFADRP COc1ccc2nc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)sc2c1 ZINC000415031546 381723132 /nfs/dbraw/zinc/72/31/32/381723132.db2.gz HAFFNALMZZCBCE-WDEREUQCSA-N 2 0 291.420 2.522 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000415032639 381723228 /nfs/dbraw/zinc/72/32/28/381723228.db2.gz IAYMTBURBHFBIW-SCZZXKLOSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000415033192 381723452 /nfs/dbraw/zinc/72/34/52/381723452.db2.gz ITQFHHPYGCDEMU-JOYOIKCWSA-N 2 0 256.752 2.696 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415035523 381725156 /nfs/dbraw/zinc/72/51/56/381725156.db2.gz KSOJVQGDJRDVJR-GHMZBOCLSA-N 2 0 268.788 2.566 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1F ZINC000415037379 381725895 /nfs/dbraw/zinc/72/58/95/381725895.db2.gz KZVSSEKXBOSKPX-MLGOLLRUSA-N 2 0 294.414 2.743 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC(C)(C)O)CC2)C1 ZINC000360011394 381726268 /nfs/dbraw/zinc/72/62/68/381726268.db2.gz NMAVFPQIEXSYNO-ZBFHGGJFSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000415100397 381781837 /nfs/dbraw/zinc/78/18/37/381781837.db2.gz AEDFSYVFZONODX-JSGCOSHPSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1nc2c(s1)CCC2 ZINC000415103686 381783035 /nfs/dbraw/zinc/78/30/35/381783035.db2.gz CUGSHWQIAVUWGG-VOMCLLRMSA-N 2 0 279.453 2.800 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415104207 381783433 /nfs/dbraw/zinc/78/34/33/381783433.db2.gz KVDOQHZQPMSXBE-MAUKXSAKSA-N 2 0 298.434 2.552 20 0 CFADRP Cc1cc(CC[NH2+]C[C@@H]([NH3+])CC(C)C)cc(C)c1O ZINC000415107053 381784894 /nfs/dbraw/zinc/78/48/94/381784894.db2.gz OMBFLWBKFCIVIN-HNNXBMFYSA-N 2 0 264.413 2.515 20 0 CFADRP Cc1cc(CC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc(C)c1O ZINC000415111155 381786730 /nfs/dbraw/zinc/78/67/30/381786730.db2.gz UBHQVUVRIBGBGL-GDBMZVCRSA-N 2 0 276.424 2.529 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]CC3CC[NH2+]CC3)CC2)CC1 ZINC000415110802 381786736 /nfs/dbraw/zinc/78/67/36/381786736.db2.gz QRRAOPSTRSUFBS-UHFFFAOYSA-N 3 0 293.499 2.619 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000415113079 381788803 /nfs/dbraw/zinc/78/88/03/381788803.db2.gz SJCOQNDVTYSURS-WQGACYEGSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415112861 381789077 /nfs/dbraw/zinc/78/90/77/381789077.db2.gz SNGSLQWWQNBODG-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cs1 ZINC000415118422 381791260 /nfs/dbraw/zinc/79/12/60/381791260.db2.gz WNHMAXMVCCRERZ-OLZOCXBDSA-N 2 0 281.469 2.929 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415121408 381792569 /nfs/dbraw/zinc/79/25/69/381792569.db2.gz HDNJPJAIWNEKLW-GDBMZVCRSA-N 2 0 298.434 2.802 20 0 CFADRP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000415076951 381764144 /nfs/dbraw/zinc/76/41/44/381764144.db2.gz DBDCVBSKQSIBNA-KGLIPLIRSA-N 2 0 270.461 2.805 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH2+]CC1 ZINC000415080193 381766212 /nfs/dbraw/zinc/76/62/12/381766212.db2.gz LIRBYMYYOPZXPS-CYBMUJFWSA-N 2 0 294.464 2.765 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000415082107 381767942 /nfs/dbraw/zinc/76/79/42/381767942.db2.gz LTGZLNILJPYJNT-UHFFFAOYSA-N 2 0 279.331 2.521 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415084011 381769866 /nfs/dbraw/zinc/76/98/66/381769866.db2.gz OOOYFDXYSLMVDI-SJLPKXTDSA-N 3 0 295.515 2.722 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415084627 381769961 /nfs/dbraw/zinc/76/99/61/381769961.db2.gz HAYGPJNFUYMDAX-BBRMVZONSA-N 2 0 294.414 2.718 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415085929 381771480 /nfs/dbraw/zinc/77/14/80/381771480.db2.gz RIBRDILULDTSED-BZUAXINKSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CCO)CCCC1 ZINC000415085172 381771992 /nfs/dbraw/zinc/77/19/92/381771992.db2.gz QJTDOWYRZKAOKR-HZPDHXFCSA-N 2 0 282.472 2.830 20 0 CFADRP COc1cccc(CCC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415090058 381775062 /nfs/dbraw/zinc/77/50/62/381775062.db2.gz ZRYDUBCOPOWBNF-GDBMZVCRSA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415089592 381775189 /nfs/dbraw/zinc/77/51/89/381775189.db2.gz NTVFPLNINVIDFA-IOASZLSFSA-N 2 0 274.408 2.660 20 0 CFADRP [NH3+]C1CCC([NH2+]CCc2cc3ccccc3o2)CC1 ZINC000415089133 381775806 /nfs/dbraw/zinc/77/58/06/381775806.db2.gz MVBISGVCTDOADX-UHFFFAOYSA-N 2 0 258.365 2.835 20 0 CFADRP c1ccc2c(c1)cccc2OCC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415092295 381777480 /nfs/dbraw/zinc/77/74/80/381777480.db2.gz SOUUFQBLBVAZOP-OAHLLOKOSA-N 2 0 284.403 2.808 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000186154253 381838086 /nfs/dbraw/zinc/83/80/86/381838086.db2.gz AOERTSUCUFLGTO-LLVKDONJSA-N 2 0 268.426 2.749 20 0 CFADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000415136552 381801881 /nfs/dbraw/zinc/80/18/81/381801881.db2.gz XFZUSMYYSTZPJF-NWDGAFQWSA-N 2 0 290.436 2.555 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000349063575 381809765 /nfs/dbraw/zinc/80/97/65/381809765.db2.gz QLBQXJCURCXLKD-MRXNPFEDSA-N 2 0 295.496 2.596 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000361240011 381815053 /nfs/dbraw/zinc/81/50/53/381815053.db2.gz ZLDQYDDWNRWRGU-ZIAGYGMSSA-N 2 0 256.434 2.510 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000361969734 381877275 /nfs/dbraw/zinc/87/72/75/381877275.db2.gz TZONZRDDMABXQX-HYVNUMGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCc1ccncc1)CC2)C1CC1 ZINC000372843628 381879833 /nfs/dbraw/zinc/87/98/33/381879833.db2.gz XIIHQENQDVTYTN-QGZVFWFLSA-N 2 0 299.462 2.820 20 0 CFADRP CSC1(C[NH2+]CC2(C[NH+](C)C)CCCC2)CCC1 ZINC000356417106 381848344 /nfs/dbraw/zinc/84/83/44/381848344.db2.gz QCOVHWOPQFNKJU-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372686565 381852430 /nfs/dbraw/zinc/85/24/30/381852430.db2.gz XZDJRKXYWAMHDK-KRWDZBQOSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1(C)C ZINC000361672232 381855353 /nfs/dbraw/zinc/85/53/53/381855353.db2.gz FLVJIXDQWIZISN-DGXTUMSLSA-N 2 0 282.472 2.897 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349338780 381897326 /nfs/dbraw/zinc/89/73/26/381897326.db2.gz ATXQKEYFRKVYHT-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000186400983 381901643 /nfs/dbraw/zinc/90/16/43/381901643.db2.gz ZPXMSAGDZJMJFF-CQSZACIVSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)CC[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372984193 381902587 /nfs/dbraw/zinc/90/25/87/381902587.db2.gz VZBWSAFZVOHTOV-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1CCSC1 ZINC000349354120 381905314 /nfs/dbraw/zinc/90/53/14/381905314.db2.gz SMAJAIOBSZOLCS-AWEZNQCLSA-N 2 0 258.475 2.793 20 0 CFADRP CC(C)=CC[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372992241 381905695 /nfs/dbraw/zinc/90/56/95/381905695.db2.gz JAEKCOSSNZOZHD-UHFFFAOYSA-N 2 0 293.499 2.739 20 0 CFADRP Oc1cc(F)cc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000292984205 381934684 /nfs/dbraw/zinc/93/46/84/381934684.db2.gz LOSVGWYPBKGTGX-UHFFFAOYSA-N 2 0 280.387 2.887 20 0 CFADRP CCCCOCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362188662 381952292 /nfs/dbraw/zinc/95/22/92/381952292.db2.gz TTZYFMCKQWMSFZ-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP Fc1ccc(F)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357066711 381995638 /nfs/dbraw/zinc/99/56/38/381995638.db2.gz CCOPYWRDFRZCHR-CYBMUJFWSA-N 2 0 280.362 2.786 20 0 CFADRP CC(C)[N@H+](CCOCC[NH3+])Cc1cccc(Cl)c1 ZINC000357069195 381995947 /nfs/dbraw/zinc/99/59/47/381995947.db2.gz HSDFXSPBZYSZDT-UHFFFAOYSA-N 2 0 270.804 2.526 20 0 CFADRP Fc1cccc(F)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357038892 381982671 /nfs/dbraw/zinc/98/26/71/381982671.db2.gz AFBZKHRNXYFYGY-CYBMUJFWSA-N 2 0 280.362 2.786 20 0 CFADRP CCC1(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC000357068111 381994925 /nfs/dbraw/zinc/99/49/25/381994925.db2.gz DEVVBHUUHJOFAM-MRXNPFEDSA-N 2 0 280.456 2.515 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000351614922 382048666 /nfs/dbraw/zinc/04/86/66/382048666.db2.gz JEKOOCQWCLNXBL-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH+](C)C)CC3)CC2)C1 ZINC000417351764 382052502 /nfs/dbraw/zinc/05/25/02/382052502.db2.gz DMWKXLRFQPOZDG-DOTOQJQBSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186828394 382026597 /nfs/dbraw/zinc/02/65/97/382026597.db2.gz KLEQODVQCBLXDW-QBPKDAKJSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+]1CCC(N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343968974 382040312 /nfs/dbraw/zinc/04/03/12/382040312.db2.gz BLJCOFQBXSROKH-MRXNPFEDSA-N 2 0 289.467 2.581 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000375854488 382107425 /nfs/dbraw/zinc/10/74/25/382107425.db2.gz USOXSHHZZYCXEK-RBSFLKMASA-N 2 0 293.480 2.765 20 0 CFADRP CC[C@H](CCO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240455 382072644 /nfs/dbraw/zinc/07/26/44/382072644.db2.gz UOWAWJLAWSQMKU-BPQIPLTHSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1cc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(C)n1 ZINC000301073614 382074505 /nfs/dbraw/zinc/07/45/05/382074505.db2.gz FOZIEWZFMMPNIV-CHWSQXEVSA-N 2 0 276.428 2.873 20 0 CFADRP CN(CCC[N@H+](C)Cc1ccccc1Cl)CC[NH+](C)C ZINC000344030241 382078764 /nfs/dbraw/zinc/07/87/64/382078764.db2.gz OFZYHVZUAAMMPR-UHFFFAOYSA-N 2 0 297.874 2.655 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CO1 ZINC000417857180 382085310 /nfs/dbraw/zinc/08/53/10/382085310.db2.gz NOYPVXZPBXYETF-QGZVFWFLSA-N 2 0 288.435 2.592 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000417868358 382089692 /nfs/dbraw/zinc/08/96/92/382089692.db2.gz KFEZCQIBSDUIGZ-OAHLLOKOSA-N 2 0 278.444 2.647 20 0 CFADRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C[NH+](C)C ZINC000293366786 382095668 /nfs/dbraw/zinc/09/56/68/382095668.db2.gz HSGGKBCVTHLRKS-YOEHRIQHSA-N 2 0 260.425 2.795 20 0 CFADRP Cc1cccn2c(CNc3nc4cc(F)ccc4[nH]3)cnc12 ZINC000362644527 382183195 /nfs/dbraw/zinc/18/31/95/382183195.db2.gz SFASMUNQLNHROO-UHFFFAOYSA-N 2 0 295.321 2.692 20 0 CFADRP Cc1ccnc(N(C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000362680478 382196444 /nfs/dbraw/zinc/19/64/44/382196444.db2.gz JHHHGEVMFBKUIC-AEFFLSMTSA-N 2 0 296.418 2.914 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1C ZINC000293616241 382197520 /nfs/dbraw/zinc/19/75/20/382197520.db2.gz JJOLIODSZRFVEA-GXTWGEPZSA-N 2 0 264.413 2.852 20 0 CFADRP Cc1[nH+]ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1Cl ZINC000357523106 382206026 /nfs/dbraw/zinc/20/60/26/382206026.db2.gz GUPPKRFHDMGIJN-ONGXEEELSA-N 2 0 265.788 2.502 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000357522475 382206130 /nfs/dbraw/zinc/20/61/30/382206130.db2.gz AXRMKNJVVAMFIS-MRXNPFEDSA-N 2 0 276.424 2.729 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]C[C@H](C)COC)[NH+]1CCCC1 ZINC000187651818 382237424 /nfs/dbraw/zinc/23/74/24/382237424.db2.gz HNRMZTNZJOVQPH-GOEBONIOSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cc(C)n([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000363460268 382233350 /nfs/dbraw/zinc/23/33/50/382233350.db2.gz ZORLVQDWCJLIAG-SJORKVTESA-N 2 0 290.455 2.621 20 0 CFADRP COc1ncc([C@@H](C)NC[C@@H](C)C[NH+](C)C)cc1Cl ZINC000293603753 382192873 /nfs/dbraw/zinc/19/28/73/382192873.db2.gz IXZUHIGHDNQHFO-GHMZBOCLSA-N 2 0 285.819 2.592 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000344778541 382275833 /nfs/dbraw/zinc/27/58/33/382275833.db2.gz UDMPTRAXHXKERP-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CCCn2ccnc2C)C1 ZINC000364160588 382276224 /nfs/dbraw/zinc/27/62/24/382276224.db2.gz PTDRQNWWOVFLHU-MRXNPFEDSA-N 2 0 279.428 2.720 20 0 CFADRP Cc1sccc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000293796885 382283208 /nfs/dbraw/zinc/28/32/08/382283208.db2.gz CYLLLSGZAKIOAC-CABCVRRESA-N 2 0 264.438 2.973 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000187671458 382240518 /nfs/dbraw/zinc/24/05/18/382240518.db2.gz VITFUXQBIKYNPF-UKRRQHHQSA-N 2 0 278.444 2.946 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C ZINC000364057648 382254486 /nfs/dbraw/zinc/25/44/86/382254486.db2.gz OCDOTOIUZBYLKG-DLBZAZTESA-N 2 0 290.455 2.530 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000680353635 542310842 /nfs/dbraw/zinc/31/08/42/542310842.db2.gz IXSONCJQVACUQC-JKSUJKDBSA-N 3 0 281.488 2.571 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293761943 382268202 /nfs/dbraw/zinc/26/82/02/382268202.db2.gz SEQPLINLNJJURB-LSDHHAIUSA-N 2 0 278.440 2.804 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1OC ZINC000293854637 382308171 /nfs/dbraw/zinc/30/81/71/382308171.db2.gz XMYNDMBDHOJKKZ-GXTWGEPZSA-N 2 0 294.439 2.861 20 0 CFADRP C[N@H+](Cc1cncs1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698113 382323872 /nfs/dbraw/zinc/32/38/72/382323872.db2.gz LHEGLZJLTUSKOL-UHFFFAOYSA-N 2 0 288.420 2.639 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422700711 296328575 /nfs/dbraw/zinc/32/85/75/296328575.db2.gz HJHIWKXQUAWAKA-WRQOLXDDSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccc(C[C@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420294575 382345682 /nfs/dbraw/zinc/34/56/82/382345682.db2.gz BHHTXGLIMLSGKK-DOTOQJQBSA-N 2 0 260.425 2.857 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357805371 382331260 /nfs/dbraw/zinc/33/12/60/382331260.db2.gz XNOWIALQSGZJGM-IAGOWNOFSA-N 2 0 298.434 2.767 20 0 CFADRP Cc1sccc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000293912846 382333723 /nfs/dbraw/zinc/33/37/23/382333723.db2.gz LVZKQSBBGBLMDQ-RISCZKNCSA-N 2 0 252.427 2.829 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000188063587 382336661 /nfs/dbraw/zinc/33/66/61/382336661.db2.gz GPNQBUFPBVVFRI-GUYJKWIASA-N 2 0 292.398 2.968 20 0 CFADRP COc1ccccc1CCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000420295148 382346128 /nfs/dbraw/zinc/34/61/28/382346128.db2.gz UZFCFBURXYJAQV-UHFFFAOYSA-N 2 0 264.413 2.545 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000352455410 382341327 /nfs/dbraw/zinc/34/13/27/382341327.db2.gz YTGLYHHDORLDAN-SMDDNHRTSA-N 2 0 260.406 2.941 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1Cl)CC(C)(C)C[NH3+] ZINC000420286904 382342306 /nfs/dbraw/zinc/34/23/06/382342306.db2.gz GYGAXADBUGJUCL-UHFFFAOYSA-N 2 0 288.794 2.775 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357854892 382351993 /nfs/dbraw/zinc/35/19/93/382351993.db2.gz RUDZAFZMOQZBEF-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000420302008 382352470 /nfs/dbraw/zinc/35/24/70/382352470.db2.gz LUGCZKNXMHKLHZ-ZFWWWQNUSA-N 2 0 288.391 2.552 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000680475820 542328512 /nfs/dbraw/zinc/32/85/12/542328512.db2.gz NZTWHGWEYMROPD-UHFFFAOYSA-N 2 0 294.464 2.566 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000420391229 382396507 /nfs/dbraw/zinc/39/65/07/382396507.db2.gz ALPHJVRBSAVHKX-KFNAQCHYSA-N 2 0 262.372 2.730 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]CC[C@@H]2CCC[NH2+]C2)sc1C ZINC000420306722 382355901 /nfs/dbraw/zinc/35/59/01/382355901.db2.gz AOUIBMAKBFQSEZ-ZDUSSCGKSA-N 2 0 281.469 2.974 20 0 CFADRP C[N@H+](CCCc1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420306852 382356386 /nfs/dbraw/zinc/35/63/86/382356386.db2.gz AZIAPPWJGIFEDK-YIONKMFJSA-N 2 0 264.438 2.896 20 0 CFADRP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307551 382358038 /nfs/dbraw/zinc/35/80/38/382358038.db2.gz BUISCLSURRRINZ-WMLDXEAASA-N 2 0 298.434 2.710 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C)CC2)cc1 ZINC000420309914 382358829 /nfs/dbraw/zinc/35/88/29/382358829.db2.gz UJHZAIWVZAYVJI-HOCLYGCPSA-N 2 0 276.424 2.860 20 0 CFADRP c1csc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCCC2)n1 ZINC000420312103 382359584 /nfs/dbraw/zinc/35/95/84/382359584.db2.gz HRHPVQFLYJJPOS-CYBMUJFWSA-N 2 0 279.453 2.892 20 0 CFADRP OCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303409720 382360953 /nfs/dbraw/zinc/36/09/53/382360953.db2.gz VQPNWNISMBADMF-KRWDZBQOSA-N 2 0 282.472 2.737 20 0 CFADRP c1ccc(C[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420315954 382362135 /nfs/dbraw/zinc/36/21/35/382362135.db2.gz MAHYZHXKFDVAFR-DLBZAZTESA-N 2 0 258.409 2.551 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cnn(-c2ccccc2)c1 ZINC000420315450 382362423 /nfs/dbraw/zinc/36/24/23/382362423.db2.gz LUPHWVGURWSTSN-INIZCTEOSA-N 2 0 298.434 2.694 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000420314977 382362728 /nfs/dbraw/zinc/36/27/28/382362728.db2.gz RHNTZMKSTGZBBG-QGZVFWFLSA-N 2 0 293.430 2.504 20 0 CFADRP COc1ccccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000377883807 382364575 /nfs/dbraw/zinc/36/45/75/382364575.db2.gz LJQBINPGVIYNHN-MRXNPFEDSA-N 2 0 288.435 2.859 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420320506 382366077 /nfs/dbraw/zinc/36/60/77/382366077.db2.gz QKTQIOWLSYIJJN-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP CCCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420319923 382366774 /nfs/dbraw/zinc/36/67/74/382366774.db2.gz AZHBTQFJKNMUOY-ZIAGYGMSSA-N 2 0 293.480 2.917 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420323996 382369420 /nfs/dbraw/zinc/36/94/20/382369420.db2.gz UWMORVRRQHHQBM-PBHICJAKSA-N 2 0 274.408 2.832 20 0 CFADRP c1csc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420327799 382370699 /nfs/dbraw/zinc/37/06/99/382370699.db2.gz YTPLGKHSLLBKMH-QWHCGFSZSA-N 2 0 250.411 2.885 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000420397387 382397478 /nfs/dbraw/zinc/39/74/78/382397478.db2.gz GBGVFZXUHZVLPD-RYRKJORJSA-N 2 0 288.435 2.744 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341967 382374838 /nfs/dbraw/zinc/37/48/38/382374838.db2.gz PCADGQMWPJFFPC-IAGOWNOFSA-N 2 0 288.435 2.559 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420341029 382375729 /nfs/dbraw/zinc/37/57/29/382375729.db2.gz NMPRSZHGGIGSSU-GJZGRUSLSA-N 2 0 292.398 2.526 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420339916 382375898 /nfs/dbraw/zinc/37/58/98/382375898.db2.gz ZJFFOXOXXSEXDD-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345109 382377392 /nfs/dbraw/zinc/37/73/92/382377392.db2.gz YWIVHJAXWMIPHI-SQNIBIBYSA-N 2 0 288.435 2.966 20 0 CFADRP CCc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346322 382377511 /nfs/dbraw/zinc/37/75/11/382377511.db2.gz WIHBRPQJIPHGOE-HDICACEKSA-N 2 0 272.436 2.723 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cc(O)cc(F)c1)CC1CCCC1 ZINC000352526356 382380936 /nfs/dbraw/zinc/38/09/36/382380936.db2.gz MWOWNCICFNESPG-UHFFFAOYSA-N 2 0 280.387 2.872 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420363693 382385629 /nfs/dbraw/zinc/38/56/29/382385629.db2.gz BWYPZSYBPNDTFZ-HNNXBMFYSA-N 2 0 276.428 2.553 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420366172 382387621 /nfs/dbraw/zinc/38/76/21/382387621.db2.gz FSOJASYEWNRULJ-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP [NH3+]CCOCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000420374581 382390916 /nfs/dbraw/zinc/39/09/16/382390916.db2.gz ODTVWYQMFIOBNE-GOSISDBHSA-N 2 0 284.403 2.535 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420375921 382392406 /nfs/dbraw/zinc/39/24/06/382392406.db2.gz ONUSRSUTMZIEJT-GOSISDBHSA-N 2 0 272.436 2.867 20 0 CFADRP Cc1ccccc1-c1cccc(CN2CCO[C@@H](C[NH3+])C2)c1 ZINC000357972539 382395206 /nfs/dbraw/zinc/39/52/06/382395206.db2.gz VMAFDSYHPMGBPK-SFHVURJKSA-N 2 0 296.414 2.822 20 0 CFADRP c1ccc([C@H]2CCCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420297425 382347066 /nfs/dbraw/zinc/34/70/66/382347066.db2.gz DILIACVHANNUMO-GOSISDBHSA-N 2 0 287.451 2.509 20 0 CFADRP c1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000420295402 382348215 /nfs/dbraw/zinc/34/82/15/382348215.db2.gz AGROYOZTJGBMFZ-FUHWJXTLSA-N 2 0 288.435 2.667 20 0 CFADRP O[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305110305 382424228 /nfs/dbraw/zinc/42/42/28/382424228.db2.gz CRSHNDFURWFRQE-WMLDXEAASA-N 2 0 280.456 2.534 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365637053 382428980 /nfs/dbraw/zinc/42/89/80/382428980.db2.gz OOWWZEMGVYOTHD-ZIFCJYIRSA-N 2 0 299.462 2.669 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(O)CCC(C)CC2)[C@H](C)C1 ZINC000305264668 382438681 /nfs/dbraw/zinc/43/86/81/382438681.db2.gz YOCOWVSVAXRJPY-GMRIPVOYSA-N 2 0 282.472 2.590 20 0 CFADRP COc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc(Cl)c1OC ZINC000346636669 382448585 /nfs/dbraw/zinc/44/85/85/382448585.db2.gz HVLNMVQYRXQFGW-ZYHUDNBSSA-N 2 0 298.814 2.526 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000357988973 382399250 /nfs/dbraw/zinc/39/92/50/382399250.db2.gz GBOMZAKCKAODSL-WMLDXEAASA-N 2 0 283.419 2.707 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420403522 382399674 /nfs/dbraw/zinc/39/96/74/382399674.db2.gz LANQVSLMASEYDB-PMPSAXMXSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1CC[N@H+](CCCc2ccsc2)C[C@H]1C[NH3+] ZINC000420413746 382403064 /nfs/dbraw/zinc/40/30/64/382403064.db2.gz SXMLGBYHBALWEF-TZMCWYRMSA-N 2 0 252.427 2.597 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1c(C)noc1C ZINC000420417309 382403731 /nfs/dbraw/zinc/40/37/31/382403731.db2.gz WITAHYRVSNCVCJ-AWEZNQCLSA-N 2 0 265.401 2.722 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@@H]1CCCO1)C(C)C ZINC000346547698 382407081 /nfs/dbraw/zinc/40/70/81/382407081.db2.gz CJUPUWGQMBBWLT-GJZGRUSLSA-N 2 0 256.434 2.652 20 0 CFADRP Cc1nocc1CNCCC[N@@H+]1CCc2ccccc2C1 ZINC000294081727 382407986 /nfs/dbraw/zinc/40/79/86/382407986.db2.gz LIIGVTWBGQXQKI-UHFFFAOYSA-N 2 0 285.391 2.521 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358012286 382408714 /nfs/dbraw/zinc/40/87/14/382408714.db2.gz IBEJIENAVNYTFZ-OAHLLOKOSA-N 2 0 270.461 2.900 20 0 CFADRP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000346562697 382414916 /nfs/dbraw/zinc/41/49/16/382414916.db2.gz QXCCLMHPIMEEJG-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@H](C)C1 ZINC000346564149 382416122 /nfs/dbraw/zinc/41/61/22/382416122.db2.gz MUPWCLIUDZMHBL-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP COCCOc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346686783 382471412 /nfs/dbraw/zinc/47/14/12/382471412.db2.gz UHPBFANMWTVVLO-QGZVFWFLSA-N 2 0 294.439 2.517 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346646299 382452821 /nfs/dbraw/zinc/45/28/21/382452821.db2.gz AJUGSGPRDBDXJQ-UONOGXRCSA-N 2 0 284.407 2.554 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCCC2 ZINC000378454830 382464120 /nfs/dbraw/zinc/46/41/20/382464120.db2.gz LOLDIVPORUBZOM-IRXDYDNUSA-N 2 0 292.467 2.966 20 0 CFADRP CC(C)[C@@H](O)C1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000378456566 382464266 /nfs/dbraw/zinc/46/42/66/382464266.db2.gz OVYGLWCZQVNSQY-QGZVFWFLSA-N 2 0 294.483 2.780 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000346688007 382472637 /nfs/dbraw/zinc/47/26/37/382472637.db2.gz NLMRCJJGIKEDMO-UHFFFAOYSA-N 2 0 281.403 2.919 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OCC ZINC000346693742 382478182 /nfs/dbraw/zinc/47/81/82/382478182.db2.gz PHILCSLHFGJXPI-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP [NH3+]CCCOC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000346693386 382478415 /nfs/dbraw/zinc/47/84/15/382478415.db2.gz MUDRXGABNRZSLL-IWQZZHSRSA-N 2 0 292.398 2.669 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1SC ZINC000346694406 382478526 /nfs/dbraw/zinc/47/85/26/382478526.db2.gz UIZPSWGFDJLIKG-AAEUAGOBSA-N 2 0 280.437 2.586 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000381483350 382521653 /nfs/dbraw/zinc/52/16/53/382521653.db2.gz FUNBQKBWKIHQSV-AGIUHOORSA-N 2 0 258.356 2.638 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1ccc2c(c1)OCO2 ZINC000346808853 382522563 /nfs/dbraw/zinc/52/25/63/382522563.db2.gz OFGPOLXKAXCGEO-OBJOEFQTSA-N 2 0 276.380 2.549 20 0 CFADRP c1ccc([C@H]2CSCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346813239 382526120 /nfs/dbraw/zinc/52/61/20/382526120.db2.gz AHBONRJTNAQNSS-GOEBONIOSA-N 2 0 276.449 2.776 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346815612 382527643 /nfs/dbraw/zinc/52/76/43/382527643.db2.gz CWQUQKQOLBQZSW-UAGQMJEPSA-N 2 0 296.418 2.554 20 0 CFADRP CCN(CC(C)(C)[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000346815499 382527684 /nfs/dbraw/zinc/52/76/84/382527684.db2.gz CEHVAQVARHHXCU-RDJZCZTQSA-N 2 0 289.467 2.881 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000382216853 382529397 /nfs/dbraw/zinc/52/93/97/382529397.db2.gz QAKDGODGTXNEEV-YUELXQCFSA-N 2 0 262.372 2.818 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)CCC1 ZINC000366284105 382497679 /nfs/dbraw/zinc/49/76/79/382497679.db2.gz NRLLCEBOEJMELU-QQFBHYJXSA-N 2 0 280.456 2.941 20 0 CFADRP COC1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000366286077 382497951 /nfs/dbraw/zinc/49/79/51/382497951.db2.gz RLUOLEYBWHULKP-UHFFFAOYSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000311709701 382507746 /nfs/dbraw/zinc/50/77/46/382507746.db2.gz JPEJCLMIRAHXID-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358211766 382508426 /nfs/dbraw/zinc/50/84/26/382508426.db2.gz ZPNXGHMFEHBWDZ-DOTOQJQBSA-N 2 0 290.451 2.912 20 0 CFADRP CC1=CCN(CC[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000358216147 382509499 /nfs/dbraw/zinc/50/94/99/382509499.db2.gz CPVFYNNXXKIKFP-CQSZACIVSA-N 2 0 288.391 2.718 20 0 CFADRP CN(CC[NH2+][C@@H]1CCCC12CCOCC2)C1CCCC1 ZINC000312316082 382514221 /nfs/dbraw/zinc/51/42/21/382514221.db2.gz BATDFJZTQBWQOP-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353179001 382514929 /nfs/dbraw/zinc/51/49/29/382514929.db2.gz YGGLDUCSDLJCKA-IUODEOHRSA-N 2 0 272.396 2.698 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000346796508 382515467 /nfs/dbraw/zinc/51/54/67/382515467.db2.gz SDTJIXIAVMDHPI-YNEHKIRRSA-N 2 0 258.475 2.836 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000346844154 382540621 /nfs/dbraw/zinc/54/06/21/382540621.db2.gz YWBHKRUGHLQHSI-ZFWWWQNUSA-N 2 0 288.391 2.552 20 0 CFADRP c1ccc(OCC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346843572 382540649 /nfs/dbraw/zinc/54/06/49/382540649.db2.gz KHDZNJYNRJSELL-KRWDZBQOSA-N 2 0 288.435 2.777 20 0 CFADRP COc1c(C)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000346845339 382540875 /nfs/dbraw/zinc/54/08/75/382540875.db2.gz MYLQHKOJNMQYNP-GVDBMIGSSA-N 2 0 288.435 2.871 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000383275946 382541627 /nfs/dbraw/zinc/54/16/27/382541627.db2.gz ZQYCTBKIGYUSCR-HZSPNIEDSA-N 2 0 272.383 2.932 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346847558 382542319 /nfs/dbraw/zinc/54/23/19/382542319.db2.gz CWTMOOICKCAXOC-SZMVWBNQSA-N 2 0 288.435 2.891 20 0 CFADRP CC(C)([NH3+])CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000346848409 382542879 /nfs/dbraw/zinc/54/28/79/382542879.db2.gz QMKMJDLDPQXCQX-UHFFFAOYSA-N 2 0 297.446 2.695 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346849279 382543904 /nfs/dbraw/zinc/54/39/04/382543904.db2.gz SAMHFRSSIDQQIB-LAVFITLUSA-N 2 0 272.436 2.924 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353439365 382546281 /nfs/dbraw/zinc/54/62/81/382546281.db2.gz WVIJABOJXSQNLQ-GVDBMIGSSA-N 2 0 258.409 2.957 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189111578 382546320 /nfs/dbraw/zinc/54/63/20/382546320.db2.gz MZNYXAUPTPWXOP-IAGOWNOFSA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000346858950 382546998 /nfs/dbraw/zinc/54/69/98/382546998.db2.gz HLDGBHARBPWXMZ-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C)c1 ZINC000353500114 382554177 /nfs/dbraw/zinc/55/41/77/382554177.db2.gz FQCOGAFTDCZPEZ-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353511540 382555922 /nfs/dbraw/zinc/55/59/22/382555922.db2.gz BUDKAQRHODAWNX-NCOADZHNSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@H](C)O1 ZINC000384683621 382556680 /nfs/dbraw/zinc/55/66/80/382556680.db2.gz FBWLBYSQJYZJCG-YCPHGPKFSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000328635112 382558141 /nfs/dbraw/zinc/55/81/41/382558141.db2.gz UMFDCHPGGPLEKN-SJLPKXTDSA-N 2 0 288.435 2.838 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000353548837 382558321 /nfs/dbraw/zinc/55/83/21/382558321.db2.gz NKJABMHNIGCXHJ-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C1=CC[C@H](C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000367466758 382572323 /nfs/dbraw/zinc/57/23/23/382572323.db2.gz AFRDPVHOUGCLER-YLFCFFPRSA-N 2 0 260.425 2.759 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000358335240 382573203 /nfs/dbraw/zinc/57/32/03/382573203.db2.gz ATPLDCFQAXQIJN-XMTFNYHQSA-N 2 0 295.515 2.815 20 0 CFADRP CCc1csc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346825929 382531641 /nfs/dbraw/zinc/53/16/41/382531641.db2.gz LSDXBAZYCKGRCZ-KBPBESRZSA-N 2 0 293.480 2.885 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCN1C ZINC000353256555 382531664 /nfs/dbraw/zinc/53/16/64/382531664.db2.gz ZQSZXYCQCNPPLF-ZHCJQAHYSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1C[C@@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000346826106 382531740 /nfs/dbraw/zinc/53/17/40/382531740.db2.gz DVKDZRRWHWGKFP-RDJZCZTQSA-N 2 0 289.467 2.709 20 0 CFADRP CCc1csc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346825931 382532180 /nfs/dbraw/zinc/53/21/80/382532180.db2.gz LSDXBAZYCKGRCZ-KGLIPLIRSA-N 2 0 293.480 2.885 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000366638503 382535122 /nfs/dbraw/zinc/53/51/22/382535122.db2.gz FFAWLPZKIAHQLB-GOEBONIOSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC000346840699 382537844 /nfs/dbraw/zinc/53/78/44/382537844.db2.gz GGXSLOFRTWITJS-GZBFAFLISA-N 2 0 264.800 2.818 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)[C@@H]2CCC[C@@H]21 ZINC000353631600 382585802 /nfs/dbraw/zinc/58/58/02/382585802.db2.gz MERQWEFAYHFJGK-BZSNNMDCSA-N 2 0 286.419 2.679 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000353635603 382589756 /nfs/dbraw/zinc/58/97/56/382589756.db2.gz ZYXCVEIOZBNVDY-LXPRWKDFSA-N 2 0 288.435 2.808 20 0 CFADRP CCc1nc(C)c([C@H](C)N(C)CC(C)(C)[NH3+])s1 ZINC000346967347 382590863 /nfs/dbraw/zinc/59/08/63/382590863.db2.gz DKSTZRLPNZCUAZ-JTQLQIEISA-N 2 0 255.431 2.744 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000387155800 382596645 /nfs/dbraw/zinc/59/66/45/382596645.db2.gz APDUSMLPPZJBHQ-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP CCCn1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000387280416 382597053 /nfs/dbraw/zinc/59/70/53/382597053.db2.gz FYQUHVHOBQPZDI-UHFFFAOYSA-N 2 0 266.433 2.503 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCC(C)C)[C@H](C)C1 ZINC000358387710 382597590 /nfs/dbraw/zinc/59/75/90/382597590.db2.gz UPMIXEZGDZPKAU-ZIAGYGMSSA-N 2 0 258.475 2.696 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000387441343 382597888 /nfs/dbraw/zinc/59/78/88/382597888.db2.gz SEJWBXWWJPGEGK-LBPRGKRZSA-N 2 0 260.372 2.884 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000189368583 382599277 /nfs/dbraw/zinc/59/92/77/382599277.db2.gz CEVGMJALRJEGOF-CVEARBPZSA-N 2 0 266.429 2.506 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353664386 382600408 /nfs/dbraw/zinc/60/04/08/382600408.db2.gz XEDHVVAOYXKMLS-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC23CCC3)CC1 ZINC000353668268 382601158 /nfs/dbraw/zinc/60/11/58/382601158.db2.gz XNMBWLFXIGRRDV-UHFFFAOYSA-N 2 0 299.462 2.957 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000392233581 382621643 /nfs/dbraw/zinc/62/16/43/382621643.db2.gz UJLZTXGRODPVIS-UHFFFAOYSA-N 2 0 255.365 2.519 20 0 CFADRP CC(C)OC1CC([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000189570493 382625812 /nfs/dbraw/zinc/62/58/12/382625812.db2.gz PWTMZNDINVYGBT-QQFBHYJXSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)C[C@H]1C ZINC000353752387 382625860 /nfs/dbraw/zinc/62/58/60/382625860.db2.gz LCIMFSHVXCVKMY-CZUORRHYSA-N 2 0 286.423 2.868 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c[nH]nc32)C[C@H]1C ZINC000353752386 382626379 /nfs/dbraw/zinc/62/63/79/382626379.db2.gz LCIMFSHVXCVKMY-CJNGLKHVSA-N 2 0 286.423 2.868 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cncc(C)c2)CC[NH+](C)CC1 ZINC000353622125 382583030 /nfs/dbraw/zinc/58/30/30/382583030.db2.gz LMVYNEBHJVIBPC-AWEZNQCLSA-N 2 0 293.480 2.868 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cc(C)ccn2)CC[NH+](C)CC1 ZINC000353622214 382583058 /nfs/dbraw/zinc/58/30/58/382583058.db2.gz MDTDNZOSUBCQLF-AWEZNQCLSA-N 2 0 293.480 2.868 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000353623457 382583298 /nfs/dbraw/zinc/58/32/98/382583298.db2.gz RDNZHCBYADCGJS-UHFFFAOYSA-N 2 0 256.777 2.895 20 0 CFADRP CO[C@H](C)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189961221 382647473 /nfs/dbraw/zinc/64/74/73/382647473.db2.gz NGFGFEXIOHMRHL-BZUAXINKSA-N 2 0 290.451 2.768 20 0 CFADRP CCN(CCC[NH+]1CCCC1)c1ccnc(C2CC2)n1 ZINC000190976157 382687255 /nfs/dbraw/zinc/68/72/55/382687255.db2.gz BPWNPZXNYLGEOY-UHFFFAOYSA-N 2 0 274.412 2.666 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000190405863 382666390 /nfs/dbraw/zinc/66/63/90/382666390.db2.gz JSUQJOVAABMEPT-DOTOQJQBSA-N 2 0 282.472 2.998 20 0 CFADRP COc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000190772585 382680236 /nfs/dbraw/zinc/68/02/36/382680236.db2.gz MASCEICUVTXGBB-HNNXBMFYSA-N 2 0 291.439 2.692 20 0 CFADRP C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000190916609 382684812 /nfs/dbraw/zinc/68/48/12/382684812.db2.gz WDTHEQYKISIRLH-HDEZJCGLSA-N 2 0 278.440 2.503 20 0 CFADRP c1cn(-c2ccccc2)nc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336854468 382735541 /nfs/dbraw/zinc/73/55/41/382735541.db2.gz OXUDWAJSARXZOX-YJBOKZPZSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)N(C)Cc1ccccc1 ZINC000192575268 382710222 /nfs/dbraw/zinc/71/02/22/382710222.db2.gz IGVYLYBJOYMLGT-UXLLHSPISA-N 2 0 276.424 2.522 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2)CC1 ZINC000192784913 382712219 /nfs/dbraw/zinc/71/22/19/382712219.db2.gz VIAZEPWXHQBDHT-QGZVFWFLSA-N 2 0 289.467 2.753 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1sccc1Cl ZINC000193142627 382716209 /nfs/dbraw/zinc/71/62/09/382716209.db2.gz KWNQGGAFEKYHLO-LLVKDONJSA-N 2 0 290.860 2.848 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccncc1 ZINC000575181654 382730103 /nfs/dbraw/zinc/73/01/03/382730103.db2.gz UQHVZQOUOKOQTB-INIZCTEOSA-N 2 0 255.365 2.781 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000336839531 382730725 /nfs/dbraw/zinc/73/07/25/382730725.db2.gz OWFHHHYMNQTSPB-CHWSQXEVSA-N 2 0 280.412 2.872 20 0 CFADRP FC(F)(F)Oc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000336841067 382731602 /nfs/dbraw/zinc/73/16/02/382731602.db2.gz RFDZMQMEADDESN-UHFFFAOYSA-N 2 0 288.313 2.817 20 0 CFADRP C=Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000194184429 382736871 /nfs/dbraw/zinc/73/68/71/382736871.db2.gz AKTBYHPIQJSFCN-UHFFFAOYSA-N 2 0 296.418 2.869 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000191071366 382690165 /nfs/dbraw/zinc/69/01/65/382690165.db2.gz GNJQBRSPRIOQCK-WMZOPIPTSA-N 2 0 294.483 2.757 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000337126877 382764234 /nfs/dbraw/zinc/76/42/34/382764234.db2.gz GIVRFLXHNMWHTK-UHFFFAOYSA-N 2 0 278.444 2.628 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000337129338 382764649 /nfs/dbraw/zinc/76/46/49/382764649.db2.gz ILCGEUZWMGBAST-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000337172370 382771179 /nfs/dbraw/zinc/77/11/79/382771179.db2.gz FKESXVXULQNORJ-MRXNPFEDSA-N 2 0 283.504 2.626 20 0 CFADRP C[C@H]1C[N@H+](CCCC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000337177871 382772394 /nfs/dbraw/zinc/77/23/94/382772394.db2.gz JYAKKLDPABMBET-INIZCTEOSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000337199243 382775205 /nfs/dbraw/zinc/77/52/05/382775205.db2.gz YPFIZHJPUYJGGH-OAHLLOKOSA-N 2 0 270.461 2.711 20 0 CFADRP CC[C@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000337209037 382777729 /nfs/dbraw/zinc/77/77/29/382777729.db2.gz AABZJFRKYYNCFP-AWEZNQCLSA-N 2 0 256.434 2.608 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)CC2(C)C)CC1 ZINC000337211153 382778099 /nfs/dbraw/zinc/77/80/99/382778099.db2.gz DHNKNJKOVFXEOT-MRXNPFEDSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337253030 382786398 /nfs/dbraw/zinc/78/63/98/382786398.db2.gz PGJPFSRWRSCCMU-QGZVFWFLSA-N 2 0 281.488 2.523 20 0 CFADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)c2cccc(F)c2)C1 ZINC000218072468 382788823 /nfs/dbraw/zinc/78/88/23/382788823.db2.gz WEEDFVQARDRYRG-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000219322876 382793302 /nfs/dbraw/zinc/79/33/02/382793302.db2.gz COBXGMHRJLEQSI-OAHLLOKOSA-N 2 0 290.451 2.794 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000219303560 382793328 /nfs/dbraw/zinc/79/33/28/382793328.db2.gz JFNLGSGBZWZSKK-NSHDSACASA-N 2 0 288.794 2.708 20 0 CFADRP C[C@@H]1C[C@@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000228303132 382846011 /nfs/dbraw/zinc/84/60/11/382846011.db2.gz BVWQLPIQBFRTJW-KONPQCLYSA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)c1nc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000228471324 382846717 /nfs/dbraw/zinc/84/67/17/382846717.db2.gz DSGRAKXZHUOWBS-IACUBPJLSA-N 2 0 279.453 2.826 20 0 CFADRP c1cnn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000337624155 382849247 /nfs/dbraw/zinc/84/92/47/382849247.db2.gz UAAPXMZDCPBNNP-SJORKVTESA-N 2 0 296.418 2.589 20 0 CFADRP CSc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414861416 532957920 /nfs/dbraw/zinc/95/79/20/532957920.db2.gz WPFPOCZQKKOCAS-JSGCOSHPSA-N 2 0 264.438 2.886 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCCCC1 ZINC000577161696 382849699 /nfs/dbraw/zinc/84/96/99/382849699.db2.gz CRQQBYFZVOONHV-HRCADAONSA-N 2 0 279.472 2.548 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220994121 382796892 /nfs/dbraw/zinc/79/68/92/382796892.db2.gz IRJSMVSQNOCZON-OKZBNKHCSA-N 2 0 288.435 2.526 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000575795193 382799131 /nfs/dbraw/zinc/79/91/31/382799131.db2.gz YNSRGGWWXYBWTI-AWEZNQCLSA-N 2 0 285.435 2.923 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000337323294 382801477 /nfs/dbraw/zinc/80/14/77/382801477.db2.gz AGSOWIBZMAHTDN-AWEZNQCLSA-N 2 0 264.413 2.651 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000337331681 382803366 /nfs/dbraw/zinc/80/33/66/382803366.db2.gz HNOWJIIZVYRKFD-AWEZNQCLSA-N 2 0 264.413 2.651 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2cccnc2)cc1 ZINC000577170566 382850178 /nfs/dbraw/zinc/85/01/78/382850178.db2.gz NHUNYVCAIVCXMZ-GOSISDBHSA-N 2 0 299.393 2.899 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337339071 382805072 /nfs/dbraw/zinc/80/50/72/382805072.db2.gz OJWVOAMKXOJFJR-BBRMVZONSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000576030249 382807965 /nfs/dbraw/zinc/80/79/65/382807965.db2.gz SGCBUDPUFYXFSH-HUUCEWRRSA-N 2 0 272.477 2.740 20 0 CFADRP CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000223991728 382808334 /nfs/dbraw/zinc/80/83/34/382808334.db2.gz SFUNZJOTSYTYMG-NWANDNLSSA-N 2 0 270.486 2.981 20 0 CFADRP FC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224152368 382809597 /nfs/dbraw/zinc/80/95/97/382809597.db2.gz JOVYDYVKBNDJIW-GRYCIOLGSA-N 2 0 264.335 2.839 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000224283921 382809865 /nfs/dbraw/zinc/80/98/65/382809865.db2.gz SPLQNRNJGKSBCP-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP CC1(C)CC([NH2+]C[C@H]2CCSC2)CC(C)(C)[NH2+]1 ZINC000224301429 382810404 /nfs/dbraw/zinc/81/04/04/382810404.db2.gz YXXCOGAUCDEWBC-LLVKDONJSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000337380993 382812165 /nfs/dbraw/zinc/81/21/65/382812165.db2.gz ASWOLTRFHRBCSJ-FZMZJTMJSA-N 2 0 272.383 2.884 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000337379195 382812604 /nfs/dbraw/zinc/81/26/04/382812604.db2.gz CKFRZDFRDDGBEW-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576172554 382813454 /nfs/dbraw/zinc/81/34/54/382813454.db2.gz PSRQEDOAUGREOG-LSDHHAIUSA-N 2 0 261.413 2.738 20 0 CFADRP CC[C@H](O)C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000576220551 382815167 /nfs/dbraw/zinc/81/51/67/382815167.db2.gz VYRMVWWOYTXQFH-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC000576413836 382822266 /nfs/dbraw/zinc/82/22/66/382822266.db2.gz KLRSZRMCUAEBKG-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000576478872 382824356 /nfs/dbraw/zinc/82/43/56/382824356.db2.gz FWGQGVWYETYFQN-KGYLQXTDSA-N 2 0 268.351 2.928 20 0 CFADRP CC(C)[NH+](CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C(C)C ZINC000576515232 382825755 /nfs/dbraw/zinc/82/57/55/382825755.db2.gz FPBSTQDZMUTUNF-HOTGVXAUSA-N 2 0 297.487 2.519 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C)c1 ZINC000576597913 382828782 /nfs/dbraw/zinc/82/87/82/382828782.db2.gz BEFJCLWFELMFKC-JKSUJKDBSA-N 2 0 275.440 2.681 20 0 CFADRP COc1cccc(Cl)c1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226447180 382828879 /nfs/dbraw/zinc/82/88/79/382828879.db2.gz LAOUGXJIRWXTMD-GFCCVEGCSA-N 2 0 282.815 2.923 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000337496801 382832430 /nfs/dbraw/zinc/83/24/30/382832430.db2.gz YRHCDAVIIKRZRD-AWEZNQCLSA-N 2 0 278.444 2.501 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227066788 382832533 /nfs/dbraw/zinc/83/25/33/382832533.db2.gz KSWAZEOHKNQRIE-YOEHRIQHSA-N 2 0 292.423 2.523 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000337506598 382834217 /nfs/dbraw/zinc/83/42/17/382834217.db2.gz FYUGPCVDGKKYRR-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000227184935 382834828 /nfs/dbraw/zinc/83/48/28/382834828.db2.gz KQUUMYFXXJNIEI-WCQYABFASA-N 2 0 252.427 2.924 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227327564 382835687 /nfs/dbraw/zinc/83/56/87/382835687.db2.gz UPBVGGFCCOQASY-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000337517609 382835945 /nfs/dbraw/zinc/83/59/45/382835945.db2.gz MUYGUWXHUIOLNC-CQSZACIVSA-N 2 0 278.444 2.991 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)C2CCOCC2)C1 ZINC000576801894 382836672 /nfs/dbraw/zinc/83/66/72/382836672.db2.gz NFKDWXMZJGVOIO-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000227495537 382837284 /nfs/dbraw/zinc/83/72/84/382837284.db2.gz FVYOUSBRYGCDKP-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCOC)C1 ZINC000337535555 382838473 /nfs/dbraw/zinc/83/84/73/382838473.db2.gz XSMVNVHTSWHRGW-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337538863 382839096 /nfs/dbraw/zinc/83/90/96/382839096.db2.gz HQCGRCLIWNBCSZ-CHWSQXEVSA-N 2 0 276.371 2.611 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C(F)(F)F)C1 ZINC000227823497 382841277 /nfs/dbraw/zinc/84/12/77/382841277.db2.gz DMPJOWQAAGVJQK-MNOVXSKESA-N 2 0 252.324 2.634 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576957088 382842822 /nfs/dbraw/zinc/84/28/22/382842822.db2.gz IDNUXUOODNHUAA-HUUCEWRRSA-N 2 0 262.397 2.753 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228077384 382844182 /nfs/dbraw/zinc/84/41/82/382844182.db2.gz XEJRYLWUIIRLQO-YWPYICTPSA-N 2 0 250.361 2.946 20 0 CFADRP Cc1cnc(C)nc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000577231100 382852512 /nfs/dbraw/zinc/85/25/12/382852512.db2.gz GCFWZWZSIBDRGV-HOCLYGCPSA-N 2 0 286.423 2.547 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000228204046 382845583 /nfs/dbraw/zinc/84/55/83/382845583.db2.gz RXIVWOMLPOMSKZ-UONOGXRCSA-N 2 0 269.392 2.712 20 0 CFADRP CCOc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1O ZINC000229938157 382854500 /nfs/dbraw/zinc/85/45/00/382854500.db2.gz KYLNPGQRDXUIET-UHFFFAOYSA-N 2 0 292.423 2.612 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC000230046937 382855487 /nfs/dbraw/zinc/85/54/87/382855487.db2.gz ZNVAVYNCNBCNLW-AEGPPILISA-N 2 0 264.800 2.899 20 0 CFADRP C[C@@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414818745 532959107 /nfs/dbraw/zinc/95/91/07/532959107.db2.gz FVCPLJKYJMWDSU-SNVBAGLBSA-N 2 0 278.787 2.557 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]21 ZINC000230126815 382856039 /nfs/dbraw/zinc/85/60/39/382856039.db2.gz YHOLKBOXPZGQMA-CWRNSKLLSA-N 2 0 270.376 2.992 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000577351793 382856128 /nfs/dbraw/zinc/85/61/28/382856128.db2.gz LREWMMIZVYZOAR-BZPMIXESSA-N 2 0 252.427 2.657 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000337746134 382860826 /nfs/dbraw/zinc/86/08/26/382860826.db2.gz GJOQFZREVANQAQ-DYVFJYSZSA-N 2 0 294.414 2.684 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccncc1F ZINC000577731057 382868737 /nfs/dbraw/zinc/86/87/37/382868737.db2.gz WESCUIHKZUKUOD-NSHDSACASA-N 2 0 259.328 2.530 20 0 CFADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000232937517 382870417 /nfs/dbraw/zinc/87/04/17/382870417.db2.gz PNHGARRDOCTBTP-GJZGRUSLSA-N 2 0 260.381 2.538 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000234252202 382873660 /nfs/dbraw/zinc/87/36/60/382873660.db2.gz QLZYWQMPQYQJAK-MRXNPFEDSA-N 2 0 262.397 2.701 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000494179227 382910364 /nfs/dbraw/zinc/91/03/64/382910364.db2.gz KWGAIUAUOOALND-QXSJWSMHSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC000235379800 382879783 /nfs/dbraw/zinc/87/97/83/382879783.db2.gz WYPYQHCONNWHQQ-OLZOCXBDSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000235379579 382879986 /nfs/dbraw/zinc/87/99/86/382879986.db2.gz MCUVFKZTDYTYQT-OCCSQVGLSA-N 2 0 250.361 2.646 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578005207 382880964 /nfs/dbraw/zinc/88/09/64/382880964.db2.gz QKNZJGAHMBUKGV-KCQAQPDRSA-N 2 0 292.471 2.985 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000235501347 382882038 /nfs/dbraw/zinc/88/20/38/382882038.db2.gz DHCMXUSLTJHEHO-WBMJQRKESA-N 2 0 271.364 2.644 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C1CCOCC1 ZINC000235477911 382882374 /nfs/dbraw/zinc/88/23/74/382882374.db2.gz ONYBAPVFFAGBJW-IJEWVQPXSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000235708680 382886865 /nfs/dbraw/zinc/88/68/65/382886865.db2.gz OYMMYTJJIRMEFU-CYBMUJFWSA-N 2 0 288.313 2.756 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337987526 382889207 /nfs/dbraw/zinc/88/92/07/382889207.db2.gz GIRPJTLEOMUJDB-OFQRWUPVSA-N 2 0 268.420 2.979 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989904 382891311 /nfs/dbraw/zinc/89/13/11/382891311.db2.gz RTOHZMVFNLKTAD-IAGOWNOFSA-N 2 0 299.478 2.522 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337995442 382894151 /nfs/dbraw/zinc/89/41/51/382894151.db2.gz MPJTUXNJJHDZDV-LSDHHAIUSA-N 2 0 256.409 2.836 20 0 CFADRP COCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000338010152 382900094 /nfs/dbraw/zinc/90/00/94/382900094.db2.gz YGBCVMBDYNACNB-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000338010150 382900165 /nfs/dbraw/zinc/90/01/65/382900165.db2.gz YGBCVMBDYNACNB-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422936655 532963741 /nfs/dbraw/zinc/96/37/41/532963741.db2.gz FNAQELLVJMNMBX-MNOVXSKESA-N 2 0 290.329 2.800 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421834231 382938475 /nfs/dbraw/zinc/93/84/75/382938475.db2.gz ORBWVGYOIGEHDK-STQMWFEESA-N 2 0 299.846 2.742 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000494926639 382942629 /nfs/dbraw/zinc/94/26/29/382942629.db2.gz VDWCXLIIXDQFCF-CPUCHLNUSA-N 2 0 276.424 2.761 20 0 CFADRP CCCCN(C)CC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000495040838 382954141 /nfs/dbraw/zinc/95/41/41/382954141.db2.gz SZMREZHGMRXZSB-UHFFFAOYSA-N 2 0 294.443 2.726 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(CO)c1 ZINC000421867453 382954502 /nfs/dbraw/zinc/95/45/02/382954502.db2.gz BGDHIOABJGJDSH-IGEOTXOUSA-N 2 0 276.424 2.702 20 0 CFADRP Cn1cncc1CCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000578783602 382954893 /nfs/dbraw/zinc/95/48/93/382954893.db2.gz BQYIQUBQXWCOKL-QGZVFWFLSA-N 2 0 269.392 2.972 20 0 CFADRP C(=C/c1ccncc1)\C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000495077137 382958990 /nfs/dbraw/zinc/95/89/90/382958990.db2.gz DHZSNNQXVWZSGQ-ONEGZZNKSA-N 2 0 285.435 2.903 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443062645 382965059 /nfs/dbraw/zinc/96/50/59/382965059.db2.gz UPDWLWOASPCTDV-MRXNPFEDSA-N 2 0 276.424 2.689 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000578359645 382914262 /nfs/dbraw/zinc/91/42/62/382914262.db2.gz OANRKWCSCIMRHY-MGPQQGTHSA-N 2 0 292.448 2.789 20 0 CFADRP COc1nc2ccccc2cc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000534272415 382919810 /nfs/dbraw/zinc/91/98/10/382919810.db2.gz GXJLKUMPFHIJFT-XJKSGUPXSA-N 2 0 299.418 2.816 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000237513504 382962945 /nfs/dbraw/zinc/96/29/45/382962945.db2.gz QRGCZFZDMQASLZ-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP CCCCc1nc2cc(NC(=O)[C@@H](C)C[NH2+]C)ccc2[nH]1 ZINC000236915305 382930470 /nfs/dbraw/zinc/93/04/70/382930470.db2.gz ZQRUOYALBASARN-NSHDSACASA-N 2 0 288.395 2.700 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C1 ZINC000578549581 382931103 /nfs/dbraw/zinc/93/11/03/382931103.db2.gz SDVATKBQZMLERR-OLZOCXBDSA-N 2 0 284.350 2.690 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578593303 382934967 /nfs/dbraw/zinc/93/49/67/382934967.db2.gz DLYZLBFKWPZZCN-QXSJWSMHSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000422945220 532963725 /nfs/dbraw/zinc/96/37/25/532963725.db2.gz NAUCRXLHJSVTJH-KGLIPLIRSA-N 2 0 272.392 2.934 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1OC ZINC000578994671 382972536 /nfs/dbraw/zinc/97/25/36/382972536.db2.gz GGQRHHBAYJHILJ-ZDUSSCGKSA-N 2 0 292.423 2.662 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422729132 382976027 /nfs/dbraw/zinc/97/60/27/382976027.db2.gz BIQINKYAIOLVRN-OLZOCXBDSA-N 2 0 272.314 2.717 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCOC(C)C ZINC000423027329 383018762 /nfs/dbraw/zinc/01/87/62/383018762.db2.gz DAQFFFBDHFYUAT-CYBMUJFWSA-N 2 0 279.428 2.705 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422760943 382977735 /nfs/dbraw/zinc/97/77/35/382977735.db2.gz QPXKGXHNOGHUFN-ZACQAIPSSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422761603 382978088 /nfs/dbraw/zinc/97/80/88/382978088.db2.gz MXPQKRATAQDVGK-ZHCJQAHYSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccc([C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775200 382979207 /nfs/dbraw/zinc/97/92/07/382979207.db2.gz ANSFONZVBVINMG-CGTJXYLNSA-N 2 0 289.467 2.718 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COc2ccccc2C1 ZINC000422790075 382979229 /nfs/dbraw/zinc/97/92/29/382979229.db2.gz URDHWEOOXNJRHK-XJKSGUPXSA-N 2 0 297.402 2.503 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422814357 382980689 /nfs/dbraw/zinc/98/06/89/382980689.db2.gz UMIXPYRGBGVVRD-RRFJBIMHSA-N 2 0 256.434 2.545 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422806674 382980939 /nfs/dbraw/zinc/98/09/39/382980939.db2.gz IVOYEJDNAXNLIH-DOTOQJQBSA-N 2 0 292.467 2.723 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422803880 382981292 /nfs/dbraw/zinc/98/12/92/382981292.db2.gz DIOSIGDFAPWXCS-HOTGVXAUSA-N 2 0 258.409 2.968 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422842322 382983727 /nfs/dbraw/zinc/98/37/27/382983727.db2.gz YBHDKNBHNQOXIL-DQYPLSBCSA-N 2 0 267.376 2.747 20 0 CFADRP Cc1ccc2c(C[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc(O)c2n1 ZINC000338305596 382984638 /nfs/dbraw/zinc/98/46/38/382984638.db2.gz SLQGHPHHQNSSKH-CQSZACIVSA-N 2 0 299.418 2.632 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422908198 382986728 /nfs/dbraw/zinc/98/67/28/382986728.db2.gz MDDIPYOHZCDULY-GVDBMIGSSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422913901 382988519 /nfs/dbraw/zinc/98/85/19/382988519.db2.gz ZJHOFFGFBFPHAS-NJAFHUGGSA-N 2 0 289.467 2.757 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422922006 382988635 /nfs/dbraw/zinc/98/86/35/382988635.db2.gz ROYZFRPXBFPHAJ-WCVJEAGWSA-N 2 0 268.445 2.558 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000338318285 382988676 /nfs/dbraw/zinc/98/86/76/382988676.db2.gz QETWLSWXRCFLJH-MRXNPFEDSA-N 2 0 270.461 2.639 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910882 382988705 /nfs/dbraw/zinc/98/87/05/382988705.db2.gz RSOTYPLAWQKZSC-ZMSDIMECSA-N 2 0 281.488 2.747 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[C@@H]1OC ZINC000422942863 382989623 /nfs/dbraw/zinc/98/96/23/382989623.db2.gz QGPLHYQLPXTZGL-YJNKXOJESA-N 2 0 268.445 2.830 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000422947020 382989942 /nfs/dbraw/zinc/98/99/42/382989942.db2.gz PNDUNMLWORAKMW-GXFFZTMASA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000245628629 383017340 /nfs/dbraw/zinc/01/73/40/383017340.db2.gz RNDWFRQCPZAYBJ-YYIAUSFCSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccc1O ZINC000422974219 382990973 /nfs/dbraw/zinc/99/09/73/382990973.db2.gz QNQZHTFPMYQRKQ-HOCLYGCPSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Oc1ccccc1 ZINC000422977452 382992254 /nfs/dbraw/zinc/99/22/54/382992254.db2.gz FMDRSXJFKCUYKR-VNQPRFMTSA-N 2 0 262.397 2.704 20 0 CFADRP CC1=CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000579213630 382992572 /nfs/dbraw/zinc/99/25/72/382992572.db2.gz NPESHDKYGGYSFT-CGTJXYLNSA-N 2 0 292.467 2.843 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCC2)CC1 ZINC000422974424 382993160 /nfs/dbraw/zinc/99/31/60/382993160.db2.gz QXSJTSNPFXLNCA-DOTOQJQBSA-N 2 0 293.499 2.904 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Nc1ccccc1 ZINC000422981775 382995711 /nfs/dbraw/zinc/99/57/11/382995711.db2.gz UHDMBAZXCZYDQS-OAGGEKHMSA-N 2 0 261.413 2.593 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024152 383017698 /nfs/dbraw/zinc/01/76/98/383017698.db2.gz LCELMYXDNCCCMW-SDDRHHMPSA-N 2 0 299.821 2.773 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H](C)[C@H]1OC ZINC000422987825 382997612 /nfs/dbraw/zinc/99/76/12/382997612.db2.gz JIKRPUNWQVMWLW-RYMFRWLXSA-N 2 0 256.434 2.542 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000447568818 382998545 /nfs/dbraw/zinc/99/85/45/382998545.db2.gz MTNLBHOUNCBXIU-HZPDHXFCSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422993226 383000547 /nfs/dbraw/zinc/00/05/47/383000547.db2.gz RFIXNYXQETYGBI-GDBMZVCRSA-N 2 0 276.399 2.865 20 0 CFADRP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCOC2)cc1 ZINC000422996092 383001039 /nfs/dbraw/zinc/00/10/39/383001039.db2.gz SETWMGUAYLPPKT-WKUFJEKOSA-N 2 0 286.419 2.637 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000422996237 383001276 /nfs/dbraw/zinc/00/12/76/383001276.db2.gz SJHBDAMHLQFJAL-RRFJBIMHSA-N 2 0 291.464 2.814 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422993727 383001480 /nfs/dbraw/zinc/00/14/80/383001480.db2.gz UBKGQSAUHKVKFB-UONOGXRCSA-N 2 0 264.413 2.733 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422994444 383001831 /nfs/dbraw/zinc/00/18/31/383001831.db2.gz HPQQTRRUYBKCOB-DOTOQJQBSA-N 2 0 272.436 2.987 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422999426 383002313 /nfs/dbraw/zinc/00/23/13/383002313.db2.gz DYRRYPAURFFUDT-GOEBONIOSA-N 2 0 296.842 2.964 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000423001802 383003817 /nfs/dbraw/zinc/00/38/17/383003817.db2.gz ILMCOZIRVGUVMP-WBVHZDCISA-N 2 0 260.425 2.871 20 0 CFADRP Clc1ccccc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423003260 383005443 /nfs/dbraw/zinc/00/54/43/383005443.db2.gz LHRDFMLGVMUHDM-FUNVUKJBSA-N 2 0 280.799 2.591 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245550382 383005886 /nfs/dbraw/zinc/00/58/86/383005886.db2.gz HOOIRPCDUXLHEZ-RRFJBIMHSA-N 2 0 280.456 2.512 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423002495 383005895 /nfs/dbraw/zinc/00/58/95/383005895.db2.gz JJTIVYVOMIWFIO-SMDDNHRTSA-N 2 0 282.815 2.956 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2ccccc2n1 ZINC000423004309 383006831 /nfs/dbraw/zinc/00/68/31/383006831.db2.gz JQWGKSBHHXIZOP-NVXWUHKLSA-N 2 0 299.418 2.993 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423004298 383007341 /nfs/dbraw/zinc/00/73/41/383007341.db2.gz JPXIAXUQOYTGJL-NJAFHUGGSA-N 2 0 290.451 2.663 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423005569 383007419 /nfs/dbraw/zinc/00/74/19/383007419.db2.gz SFQYZDAMOWEUHX-OAGGEKHMSA-N 2 0 284.488 2.930 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423005608 383007550 /nfs/dbraw/zinc/00/75/50/383007550.db2.gz SMHDXKBOBGUDKI-BRWVUGGUSA-N 2 0 294.483 2.950 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423012437 383010023 /nfs/dbraw/zinc/01/00/23/383010023.db2.gz DAFMTIRQCAQYPB-XUWVNRHRSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423009028 383010097 /nfs/dbraw/zinc/01/00/97/383010097.db2.gz BQUIEYPRCDUJKI-QZTJIDSGSA-N 2 0 272.436 2.899 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000245580768 383011013 /nfs/dbraw/zinc/01/10/13/383011013.db2.gz CHPWRENIQNIVPD-IAGOWNOFSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423013619 383011490 /nfs/dbraw/zinc/01/14/90/383011490.db2.gz GKZKUNAUKPHWKE-QZTJIDSGSA-N 2 0 298.434 2.704 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423014078 383011708 /nfs/dbraw/zinc/01/17/08/383011708.db2.gz OCGAWQSSTILPNW-WBVHZDCISA-N 2 0 294.414 2.929 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCCc2ccccc21 ZINC000423014985 383012395 /nfs/dbraw/zinc/01/23/95/383012395.db2.gz JTIKODSLTORDAE-IXDOHACOSA-N 2 0 258.409 2.750 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000447819553 383013047 /nfs/dbraw/zinc/01/30/47/383013047.db2.gz AUTWKGNHSZSYMM-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423017293 383014278 /nfs/dbraw/zinc/01/42/78/383014278.db2.gz OIUHFMNBXVMKFE-NXOAAHMSSA-N 2 0 294.483 2.684 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423019344 383015366 /nfs/dbraw/zinc/01/53/66/383015366.db2.gz VIPAJJQEHHGBJE-HUBLWGQQSA-N 2 0 268.376 2.619 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423019818 383015454 /nfs/dbraw/zinc/01/54/54/383015454.db2.gz XHFVOIIJWSVVCH-IXDOHACOSA-N 2 0 292.398 2.845 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCSC2)CC1 ZINC000495157408 382965694 /nfs/dbraw/zinc/96/56/94/382965694.db2.gz OTAMUTVXLCOQCF-CYBMUJFWSA-N 2 0 256.459 2.546 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCOCC(F)(F)F)CC1 ZINC000338259318 382966723 /nfs/dbraw/zinc/96/67/23/382966723.db2.gz ZMQBDXKXRZQWCC-UHFFFAOYSA-N 2 0 296.377 2.760 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423046710 383028833 /nfs/dbraw/zinc/02/88/33/383028833.db2.gz UKLMWNLICOKMBO-KMUNFCNLSA-N 2 0 297.805 2.527 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423046746 383028944 /nfs/dbraw/zinc/02/89/44/383028944.db2.gz UMDJBGNYMAENJF-NBOOPKSLSA-N 2 0 289.467 2.612 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423047540 383029903 /nfs/dbraw/zinc/02/99/03/383029903.db2.gz GOPMMGKVORZNLZ-HZMVEIRTSA-N 2 0 288.435 2.840 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CSc1ccc(C)cc1 ZINC000423051707 383031989 /nfs/dbraw/zinc/03/19/89/383031989.db2.gz OAWDJFRCRZJKNK-LSDHHAIUSA-N 2 0 296.480 2.819 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423049880 383032049 /nfs/dbraw/zinc/03/20/49/383032049.db2.gz YHHDNVGTXBDEBP-QXSJWSMHSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423052090 383032097 /nfs/dbraw/zinc/03/20/97/383032097.db2.gz PBWRLXBTVAHPOI-NUEKZKHPSA-N 2 0 280.456 2.855 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C(C)C)CC1 ZINC000423056896 383034016 /nfs/dbraw/zinc/03/40/16/383034016.db2.gz YZSVTNNJCBAQEG-XHSDSOJGSA-N 2 0 270.461 2.935 20 0 CFADRP C1CC1[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423056899 383034168 /nfs/dbraw/zinc/03/41/68/383034168.db2.gz YZWOCWIZIYFDOQ-MDMSPXHWSA-N 2 0 292.467 2.844 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(OC)c1 ZINC000423388201 383078326 /nfs/dbraw/zinc/07/83/26/383078326.db2.gz IHHNAHYACUDTMQ-KCXAZCMYSA-N 2 0 262.397 2.734 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCCCC1 ZINC000423061746 383037301 /nfs/dbraw/zinc/03/73/01/383037301.db2.gz LLIUXEXXWFGATD-KGLIPLIRSA-N 2 0 256.434 2.689 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])cn(C)c2c1 ZINC000423064478 383038468 /nfs/dbraw/zinc/03/84/68/383038468.db2.gz ZFZYWMKIYZTVBB-YOEHRIQHSA-N 2 0 285.435 2.746 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cn(C)c2c1 ZINC000423064476 383038576 /nfs/dbraw/zinc/03/85/76/383038576.db2.gz ZFZYWMKIYZTVBB-RHSMWYFYSA-N 2 0 285.435 2.746 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1Br ZINC000423065520 383038716 /nfs/dbraw/zinc/03/87/16/383038716.db2.gz BMLSZYGHVQWAFS-WCQYABFASA-N 2 0 297.240 2.975 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448020948 383038922 /nfs/dbraw/zinc/03/89/22/383038922.db2.gz FXAVXFGVUIPJCS-INIZCTEOSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000246502668 383078676 /nfs/dbraw/zinc/07/86/76/383078676.db2.gz SQWCZZQISYZWEN-NRSFXHEJSA-N 2 0 287.451 2.504 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423079412 383041865 /nfs/dbraw/zinc/04/18/65/383041865.db2.gz AANWAOMBSKCCEJ-NVXWUHKLSA-N 3 0 293.499 2.761 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423116614 383042736 /nfs/dbraw/zinc/04/27/36/383042736.db2.gz QPTUVYCFUBIHKO-RBOXIYTFSA-N 2 0 292.398 2.799 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423128023 383044074 /nfs/dbraw/zinc/04/40/74/383044074.db2.gz UQTYNZUZQIWLPG-KBRIMQKVSA-N 2 0 275.440 2.841 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(C)s2)CC[NH2+]CC1 ZINC000423390715 383078878 /nfs/dbraw/zinc/07/88/78/383078878.db2.gz MRNUVOVJFSBXKK-ZDUSSCGKSA-N 2 0 282.453 2.723 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000423146595 383045546 /nfs/dbraw/zinc/04/55/46/383045546.db2.gz AXVDIWVVRXLLDN-QEJZJMRPSA-N 2 0 282.378 2.970 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1(C)C ZINC000579711460 383045679 /nfs/dbraw/zinc/04/56/79/383045679.db2.gz DQGBVVGEQDMILW-INMHGKMJSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000246502640 383079157 /nfs/dbraw/zinc/07/91/57/383079157.db2.gz SQWCZZQISYZWEN-BGTYHANMSA-N 2 0 287.451 2.504 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423248596 383052734 /nfs/dbraw/zinc/05/27/34/383052734.db2.gz NNEPNHPJGLQZJJ-XHBSWPGZSA-N 2 0 262.372 2.648 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423253523 383052824 /nfs/dbraw/zinc/05/28/24/383052824.db2.gz WADUXAJSVFSLEN-XJKSGUPXSA-N 2 0 259.397 2.523 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423240261 383052895 /nfs/dbraw/zinc/05/28/95/383052895.db2.gz BZDFROUDUSGTML-IAGOWNOFSA-N 2 0 260.425 2.843 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338791295 383052908 /nfs/dbraw/zinc/05/29/08/383052908.db2.gz ZEHJMDOAEUWLCN-QDMKHBRRSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423267595 383053914 /nfs/dbraw/zinc/05/39/14/383053914.db2.gz CTXCCJFIUFEJRQ-UGFHNGPFSA-N 2 0 292.398 2.929 20 0 CFADRP Fc1cncc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423276139 383054993 /nfs/dbraw/zinc/05/49/93/383054993.db2.gz OEGNDGNSNTUQCQ-BLLLJJGKSA-N 2 0 277.387 2.651 20 0 CFADRP c1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2C[NH2+]C2)CCC3)cc1 ZINC000423305472 383056942 /nfs/dbraw/zinc/05/69/42/383056942.db2.gz QSCYMMDGPKHOIE-CQSZACIVSA-N 2 0 299.443 2.997 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1OC ZINC000423322446 383057924 /nfs/dbraw/zinc/05/79/24/383057924.db2.gz HEUACWZZMAJOGF-KGLIPLIRSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000246007456 383057905 /nfs/dbraw/zinc/05/79/05/383057905.db2.gz KMLQFHLXRCKCLG-YIYPIFLZSA-N 2 0 256.459 2.590 20 0 CFADRP CC(C)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccnc1 ZINC000423324237 383058632 /nfs/dbraw/zinc/05/86/32/383058632.db2.gz IRLNDWTWZAVOOG-HNNXBMFYSA-N 2 0 261.413 2.758 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423350390 383060103 /nfs/dbraw/zinc/06/01/03/383060103.db2.gz ZFSQVZBMCPUPPB-INIZCTEOSA-N 2 0 260.381 2.656 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000579852774 383060345 /nfs/dbraw/zinc/06/03/45/383060345.db2.gz XVRKTXCSLISVKQ-ZDUSSCGKSA-N 2 0 284.407 2.697 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423353029 383061367 /nfs/dbraw/zinc/06/13/67/383061367.db2.gz LGXXPZFXINNEER-BQFCYCMXSA-N 2 0 285.435 2.863 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000423358707 383062353 /nfs/dbraw/zinc/06/23/53/383062353.db2.gz JTZRBVOYXVYCCC-GDBMZVCRSA-N 2 0 262.397 2.878 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000579887048 383062705 /nfs/dbraw/zinc/06/27/05/383062705.db2.gz MAGUHLBMDNLVPT-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cscn1 ZINC000552002222 383063568 /nfs/dbraw/zinc/06/35/68/383063568.db2.gz JVLWGMCLRKATDS-MJBXVCDLSA-N 2 0 297.468 2.683 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(=O)OC)cc1 ZINC000423361724 383064037 /nfs/dbraw/zinc/06/40/37/383064037.db2.gz AOHUKELHGJHMTO-VBNZEHGJSA-N 2 0 290.407 2.512 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423364408 383064919 /nfs/dbraw/zinc/06/49/19/383064919.db2.gz APDBCAYBLUGGDL-APIJFGDWSA-N 2 0 268.445 2.686 20 0 CFADRP CCc1nocc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000552030093 383065530 /nfs/dbraw/zinc/06/55/30/383065530.db2.gz INZBPTCGNVSSGC-UHFFFAOYSA-N 2 0 279.428 2.789 20 0 CFADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423368957 383067295 /nfs/dbraw/zinc/06/72/95/383067295.db2.gz DOLWCJOYBRJKMU-IKGGRYGDSA-N 2 0 256.393 2.958 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000423371787 383069117 /nfs/dbraw/zinc/06/91/17/383069117.db2.gz FTDZDIMOXYWQQN-KCXAZCMYSA-N 2 0 290.407 2.654 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423376821 383071239 /nfs/dbraw/zinc/07/12/39/383071239.db2.gz LGGFCBAUBIPOJL-KEYYUXOJSA-N 2 0 298.434 2.972 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423376687 383071283 /nfs/dbraw/zinc/07/12/83/383071283.db2.gz YLDWIYCMJSECHQ-KFWWJZLASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCSc3ccccc32)CC[NH2+]1 ZINC000423381656 383075376 /nfs/dbraw/zinc/07/53/76/383075376.db2.gz OKRLKOVIMCRZPQ-BZPMIXESSA-N 2 0 262.422 2.954 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423383398 383076644 /nfs/dbraw/zinc/07/66/44/383076644.db2.gz JGWGENOSKUFMDL-QBPKDAKJSA-N 2 0 293.499 2.665 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423384018 383076698 /nfs/dbraw/zinc/07/66/98/383076698.db2.gz FWGBDLXTTHXUEJ-XLNGHYISSA-N 2 0 288.435 2.820 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423386613 383077428 /nfs/dbraw/zinc/07/74/28/383077428.db2.gz MAHXRLRKMSVLOA-ZNMIVQPWSA-N 2 0 290.407 2.768 20 0 CFADRP c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc2c1C[NH2+]C2 ZINC000423386077 383077440 /nfs/dbraw/zinc/07/74/40/383077440.db2.gz LXINZZQLRVUKKP-KURKYZTESA-N 2 0 298.430 2.727 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423030818 383020100 /nfs/dbraw/zinc/02/01/00/383020100.db2.gz WKUJGXYATNJLIV-RYUDHWBXSA-N 2 0 299.821 2.775 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000423031571 383021225 /nfs/dbraw/zinc/02/12/25/383021225.db2.gz XDBKCKYBDIUKKC-NUEKZKHPSA-N 2 0 282.472 2.935 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423032155 383021531 /nfs/dbraw/zinc/02/15/31/383021531.db2.gz DYHOYFIJOGPULS-GYTBAZASSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423033108 383022747 /nfs/dbraw/zinc/02/27/47/383022747.db2.gz WPXUACMUCMTXIM-RDJZCZTQSA-N 2 0 275.440 2.986 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000423037029 383023404 /nfs/dbraw/zinc/02/34/04/383023404.db2.gz VHFAZECYQIRWPA-BXUZGUMPSA-N 2 0 279.453 2.785 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC2)cc1 ZINC000423037238 383023566 /nfs/dbraw/zinc/02/35/66/383023566.db2.gz VYBPRLLYTMGPLE-KBPBESRZSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423035957 383023606 /nfs/dbraw/zinc/02/36/06/383023606.db2.gz SMPBEEKAZQVRPM-UHFFFAOYSA-N 2 0 298.434 2.788 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)CC[NH2+]CC1 ZINC000423386232 383077766 /nfs/dbraw/zinc/07/77/66/383077766.db2.gz JEHZSURSWNSFJH-INIZCTEOSA-N 2 0 290.451 2.970 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423042463 383026213 /nfs/dbraw/zinc/02/62/13/383026213.db2.gz ZIOSMPUFEIJFNE-RTXFEEFZSA-N 2 0 267.442 2.662 20 0 CFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])OC(C)C ZINC000423045104 383027167 /nfs/dbraw/zinc/02/71/67/383027167.db2.gz BKXCKIJNOHXPJS-ZQIUZPCESA-N 2 0 294.439 2.877 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423492106 383120263 /nfs/dbraw/zinc/12/02/63/383120263.db2.gz LSQQXPPDONDGIP-QJPTWQEYSA-N 2 0 296.386 2.621 20 0 CFADRP CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccn1 ZINC000423493907 383120291 /nfs/dbraw/zinc/12/02/91/383120291.db2.gz RHRGPYVBMMAPNN-YCPHGPKFSA-N 2 0 261.413 2.886 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000246912777 383120399 /nfs/dbraw/zinc/12/03/99/383120399.db2.gz FTQKUTDBQUYXTR-DSJMHWKBSA-N 2 0 294.414 2.911 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C[C@H]1c1ccccc1 ZINC000423492736 383120578 /nfs/dbraw/zinc/12/05/78/383120578.db2.gz OLVUSICEIBDITR-IXDOHACOSA-N 2 0 288.435 2.537 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500463 383122558 /nfs/dbraw/zinc/12/25/58/383122558.db2.gz BZNYTHHYJPELCR-AQEOSJORSA-N 2 0 293.499 2.761 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000423500725 383124011 /nfs/dbraw/zinc/12/40/11/383124011.db2.gz IQSKFVOPYBHRDX-DFBGVHRSSA-N 2 0 282.815 2.745 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423502222 383124248 /nfs/dbraw/zinc/12/42/48/383124248.db2.gz JVKXYIANPGQUTH-GYSYKLTISA-N 2 0 278.371 2.539 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000423511362 383125099 /nfs/dbraw/zinc/12/50/99/383125099.db2.gz QBRVAZGVZMKFIZ-XFJVYGCCSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423504730 383125357 /nfs/dbraw/zinc/12/53/57/383125357.db2.gz GJBBZWQXXFZMPH-YFVGIKETSA-N 2 0 293.499 2.617 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423553877 383127270 /nfs/dbraw/zinc/12/72/70/383127270.db2.gz WFSZMOHUBJBIOI-ZHRONYKTSA-N 2 0 274.383 2.791 20 0 CFADRP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246983680 383128367 /nfs/dbraw/zinc/12/83/67/383128367.db2.gz WAUFAGPPOOWYDW-LZWOXQAQSA-N 2 0 250.430 2.981 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000246993036 383129450 /nfs/dbraw/zinc/12/94/50/383129450.db2.gz RZKHYXBOXAXVFW-DJIMGWMZSA-N 2 0 294.483 2.900 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000247127626 383146344 /nfs/dbraw/zinc/14/63/44/383146344.db2.gz QCJHHRNFJLNVEX-MGPQQGTHSA-N 2 0 268.445 2.795 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000449011405 383131523 /nfs/dbraw/zinc/13/15/23/383131523.db2.gz QESYTHIVYWEVPZ-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000554376834 383132569 /nfs/dbraw/zinc/13/25/69/383132569.db2.gz GRDRPMOHRKYNBQ-NUJGCVRESA-N 2 0 296.499 2.884 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000503945917 383140645 /nfs/dbraw/zinc/14/06/45/383140645.db2.gz IFOQPOORDVFZID-IGQOVBAYSA-N 2 0 288.382 2.753 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000423397851 383081808 /nfs/dbraw/zinc/08/18/08/383081808.db2.gz UZYMQVVHZXGLOI-XYPHTWIQSA-N 2 0 258.409 2.738 20 0 CFADRP COCC1(C[NH2+][C@H]2CCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423399614 383081910 /nfs/dbraw/zinc/08/19/10/383081910.db2.gz FATYHNDQFKBKCK-KRWDZBQOSA-N 2 0 288.435 2.588 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000423399663 383083253 /nfs/dbraw/zinc/08/32/53/383083253.db2.gz PSQNLNUIBGVULJ-ZQIUZPCESA-N 2 0 284.407 2.521 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC23CCCC3)CC[NH2+]CC1 ZINC000423406686 383085748 /nfs/dbraw/zinc/08/57/48/383085748.db2.gz LADOFUUDEMEMCA-HNNXBMFYSA-N 2 0 280.456 2.705 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423406844 383085846 /nfs/dbraw/zinc/08/58/46/383085846.db2.gz ZFQPAQODWFYGEZ-IMJJTQAJSA-N 2 0 284.407 2.793 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423409012 383086829 /nfs/dbraw/zinc/08/68/29/383086829.db2.gz YHUCLCUQHDQGSW-VNHYZAJKSA-N 2 0 292.423 2.661 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423409357 383086894 /nfs/dbraw/zinc/08/68/94/383086894.db2.gz YUIKKUBRUKJMED-LYRGGWFBSA-N 2 0 262.372 2.791 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccncc1 ZINC000423417177 383088753 /nfs/dbraw/zinc/08/87/53/383088753.db2.gz FBUVMZOOCKKYMW-DZKIICNBSA-N 2 0 261.413 2.887 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CCC[NH2+]1 ZINC000423417630 383089964 /nfs/dbraw/zinc/08/99/64/383089964.db2.gz HGMLXBLRWGHOLI-YJBOKZPZSA-N 2 0 290.451 2.711 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423419997 383090234 /nfs/dbraw/zinc/09/02/34/383090234.db2.gz BIYDDCRUZKCLTK-KBPBESRZSA-N 2 0 277.412 2.511 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423422602 383091149 /nfs/dbraw/zinc/09/11/49/383091149.db2.gz BNEAYJLYHMWZJF-UHOFOFEASA-N 2 0 273.424 2.683 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(F)cn1 ZINC000423426077 383091866 /nfs/dbraw/zinc/09/18/66/383091866.db2.gz PBIWZSVHJXXNGC-JHJVBQTASA-N 2 0 295.402 2.645 20 0 CFADRP CCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423440165 383097398 /nfs/dbraw/zinc/09/73/98/383097398.db2.gz OAUOXYWONYAWDO-YHUYYLMFSA-N 2 0 250.430 2.933 20 0 CFADRP Clc1ccc([C@H]2CC[C@@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423448599 383099914 /nfs/dbraw/zinc/09/99/14/383099914.db2.gz FHTCRTPTIGMIFJ-PJGLDBICSA-N 2 0 276.811 2.784 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449513 383099920 /nfs/dbraw/zinc/09/99/20/383099920.db2.gz WOCANLPSMHVYNU-HZMVEIRTSA-N 2 0 294.483 2.804 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000423451190 383100903 /nfs/dbraw/zinc/10/09/03/383100903.db2.gz IDFSCTSAJIKVNC-QLFBSQMISA-N 2 0 284.444 2.606 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423458197 383103361 /nfs/dbraw/zinc/10/33/61/383103361.db2.gz GPWVKAUVQXOCFW-YXAMBPQSSA-N 2 0 296.842 2.755 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)[C@@H]1OC ZINC000423462333 383103861 /nfs/dbraw/zinc/10/38/61/383103861.db2.gz DORYVOWHHBJYGX-NPJQDHAYSA-N 2 0 282.472 2.933 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246794693 383104782 /nfs/dbraw/zinc/10/47/82/383104782.db2.gz ARIGRVNJQSEQNE-BBRMVZONSA-N 2 0 262.397 2.515 20 0 CFADRP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000423464688 383105921 /nfs/dbraw/zinc/10/59/21/383105921.db2.gz GXKCRBODZRAUTI-FEWQNLEASA-N 2 0 292.427 2.511 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423465970 383105960 /nfs/dbraw/zinc/10/59/60/383105960.db2.gz AGETZYWWSOTPRW-WBVHZDCISA-N 2 0 275.440 2.915 20 0 CFADRP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000423464693 383106480 /nfs/dbraw/zinc/10/64/80/383106480.db2.gz GXKCRBODZRAUTI-LQULJDIASA-N 2 0 292.427 2.511 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423475708 383110485 /nfs/dbraw/zinc/11/04/85/383110485.db2.gz RWTQIGQKXGFQGH-NWANDNLSSA-N 2 0 262.397 2.559 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423474877 383110944 /nfs/dbraw/zinc/11/09/44/383110944.db2.gz HTTLEHBZWBKJAY-HOCLYGCPSA-N 2 0 262.372 2.935 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423479502 383112244 /nfs/dbraw/zinc/11/22/44/383112244.db2.gz VMOJKSKXIBUBBO-VWYCJHECSA-N 2 0 256.340 2.611 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246862811 383113746 /nfs/dbraw/zinc/11/37/46/383113746.db2.gz CQGRDQBODPTXEM-WFASDCNBSA-N 2 0 298.377 2.664 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000423481412 383114390 /nfs/dbraw/zinc/11/43/90/383114390.db2.gz OLJSVXQIKQONPM-UKRRQHHQSA-N 2 0 264.417 2.647 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOC2CCCC2)[C@@H](C)C1 ZINC000246876400 383116314 /nfs/dbraw/zinc/11/63/14/383116314.db2.gz CUTIZZGGIPRCEG-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423485458 383117183 /nfs/dbraw/zinc/11/71/83/383117183.db2.gz RQBRKZLEHDWNAX-OWCLPIDISA-N 2 0 282.472 2.948 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423486406 383117205 /nfs/dbraw/zinc/11/72/05/383117205.db2.gz SQGRBORCUOFBDJ-CJNGLKHVSA-N 2 0 292.398 2.943 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423491896 383118882 /nfs/dbraw/zinc/11/88/82/383118882.db2.gz KRBCUNQGMYKUAA-HOSILWTGSA-N 2 0 276.424 2.904 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000246902436 383119082 /nfs/dbraw/zinc/11/90/82/383119082.db2.gz FWADYYWYHXJUEF-DOTOQJQBSA-N 2 0 298.434 2.692 20 0 CFADRP Cc1nocc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000339181352 383179764 /nfs/dbraw/zinc/17/97/64/383179764.db2.gz FMIGNCWIPPMALA-ZDUSSCGKSA-N 2 0 265.401 2.727 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1([NH3+])CCCCCC1 ZINC000423198335 532974937 /nfs/dbraw/zinc/97/49/37/532974937.db2.gz FGZLSAPYYNFEBY-NVXWUHKLSA-N 2 0 289.467 2.586 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449196668 383184187 /nfs/dbraw/zinc/18/41/87/383184187.db2.gz YWPMTMDSDIPZKI-BBWFWOEESA-N 2 0 292.467 2.677 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000449225213 383184825 /nfs/dbraw/zinc/18/48/25/383184825.db2.gz SPEWEFDKTRMVQG-QKPAOTATSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+]1CCCCC1 ZINC000449239905 383186012 /nfs/dbraw/zinc/18/60/12/383186012.db2.gz LRRORITZJCUDPZ-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000518339205 383195066 /nfs/dbraw/zinc/19/50/66/383195066.db2.gz VCKOZDSDCHPMGC-UPJWGTAASA-N 2 0 252.427 2.657 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c[nH]c2c1 ZINC000566629447 383195877 /nfs/dbraw/zinc/19/58/77/383195877.db2.gz GNOIBGJPYIXAPH-CABCVRRESA-N 2 0 271.408 2.878 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@@H](C)C1 ZINC000247889390 383199611 /nfs/dbraw/zinc/19/96/11/383199611.db2.gz DVMMDWYSVCVXCI-BBRMVZONSA-N 2 0 264.388 2.688 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000247944462 383200042 /nfs/dbraw/zinc/20/00/42/383200042.db2.gz HDDZBLQVJULILJ-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000247921301 383200175 /nfs/dbraw/zinc/20/01/75/383200175.db2.gz BFBSDHOHMTUBBF-ZWKOTPCHSA-N 2 0 290.451 2.964 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000247921297 383200305 /nfs/dbraw/zinc/20/03/05/383200305.db2.gz BFBSDHOHMTUBBF-ROUUACIJSA-N 2 0 290.451 2.964 20 0 CFADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424190676 383201812 /nfs/dbraw/zinc/20/18/12/383201812.db2.gz GCUMCODXJJYEIE-HUUCEWRRSA-N 2 0 297.487 2.554 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)[C@@H](C)C1 ZINC000247968203 383202912 /nfs/dbraw/zinc/20/29/12/383202912.db2.gz IOXCINKYWOWUBG-BBRMVZONSA-N 2 0 264.388 2.688 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3ccccc3)CC[C@H]21 ZINC000248140996 383214676 /nfs/dbraw/zinc/21/46/76/383214676.db2.gz PPQSWZGPKZNZLO-FUHWJXTLSA-N 2 0 288.435 2.872 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449035954 383147480 /nfs/dbraw/zinc/14/74/80/383147480.db2.gz QVEAJGXWISGRLC-ZDUSSCGKSA-N 2 0 258.365 2.816 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cs1 ZINC000449058067 383155027 /nfs/dbraw/zinc/15/50/27/383155027.db2.gz GAGGPBIVHUTZQX-OAHLLOKOSA-N 2 0 282.453 2.503 20 0 CFADRP C[C@H](C[NH2+][C@H](C)Cc1ccoc1)C[NH+]1CCCC1 ZINC000449087597 383168786 /nfs/dbraw/zinc/16/87/86/383168786.db2.gz GMDONZUNLNOKJL-ZIAGYGMSSA-N 2 0 250.386 2.532 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248465022 383247694 /nfs/dbraw/zinc/24/76/94/383247694.db2.gz ZWHDBNGMAHUNNX-UKRRQHHQSA-N 2 0 289.423 2.637 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449382708 383251396 /nfs/dbraw/zinc/25/13/96/383251396.db2.gz YABCZZXFCKASOI-LBPRGKRZSA-N 2 0 296.377 2.806 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2cccc(F)c2)[C@@H](C)C1 ZINC000248501929 383251551 /nfs/dbraw/zinc/25/15/51/383251551.db2.gz TYYMIDMNSAOHKM-YOEHRIQHSA-N 2 0 293.430 2.948 20 0 CFADRP CC(C)n1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000520527776 383261643 /nfs/dbraw/zinc/26/16/43/383261643.db2.gz ZNXCDBPTGGPRTK-UHFFFAOYSA-N 2 0 299.422 2.618 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000519420498 383215025 /nfs/dbraw/zinc/21/50/25/383215025.db2.gz HDFMXBASQLSEKB-HOTGVXAUSA-N 2 0 298.858 2.939 20 0 CFADRP FC(F)n1ccc(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000339499837 383218699 /nfs/dbraw/zinc/21/86/99/383218699.db2.gz VAIXPBWQRCCKBW-UHFFFAOYSA-N 2 0 286.370 2.634 20 0 CFADRP CCOc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000339500241 383218820 /nfs/dbraw/zinc/21/88/20/383218820.db2.gz OJPFAMNMLVVDQC-UHFFFAOYSA-N 2 0 291.439 2.836 20 0 CFADRP CN(CCC[NH3+])Cc1cnc(-c2cccs2)s1 ZINC000519825023 383239606 /nfs/dbraw/zinc/23/96/06/383239606.db2.gz IOKRTKNNPDDCIX-UHFFFAOYSA-N 2 0 267.423 2.652 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000248436774 383242512 /nfs/dbraw/zinc/24/25/12/383242512.db2.gz GPKKFNCADPCMJH-KBXCAEBGSA-N 2 0 288.435 2.531 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000567895700 383328425 /nfs/dbraw/zinc/32/84/25/383328425.db2.gz USSLCDFLSFPHCF-BRWVUGGUSA-N 2 0 286.419 2.583 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000449491429 383328841 /nfs/dbraw/zinc/32/88/41/383328841.db2.gz GVJYCDKHUMLKNH-XQQFMLRXSA-N 2 0 260.372 2.742 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000567895701 383328879 /nfs/dbraw/zinc/32/88/79/383328879.db2.gz USSLCDFLSFPHCF-GVDBMIGSSA-N 2 0 286.419 2.583 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732564 383333855 /nfs/dbraw/zinc/33/38/55/383333855.db2.gz JHEWQXMJXLYBFP-HNNXBMFYSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1cccc2ncc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)n21 ZINC000634732171 383334115 /nfs/dbraw/zinc/33/41/15/383334115.db2.gz AAQHELMHJVDGFI-AWEZNQCLSA-N 2 0 286.423 2.511 20 0 CFADRP COc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000634732352 383334128 /nfs/dbraw/zinc/33/41/28/383334128.db2.gz DMULJWWBFUWMAV-CQSZACIVSA-N 2 0 291.439 2.575 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732521 383334249 /nfs/dbraw/zinc/33/42/49/383334249.db2.gz IKCIYXMHNHKRLB-HNNXBMFYSA-N 2 0 276.424 2.953 20 0 CFADRP Cn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C(C)(C)C)n1 ZINC000634732380 383334514 /nfs/dbraw/zinc/33/45/14/383334514.db2.gz FBJQIHXCFXQFLB-CQSZACIVSA-N 2 0 292.471 2.585 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000634733090 383334883 /nfs/dbraw/zinc/33/48/83/383334883.db2.gz WZHKUYVNPFLVHO-KKUMJFAQSA-N 2 0 268.445 2.558 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000634732817 383334943 /nfs/dbraw/zinc/33/49/43/383334943.db2.gz PNEWIQLKHOJJEN-GFCCVEGCSA-N 2 0 268.351 2.833 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000634732818 383335093 /nfs/dbraw/zinc/33/50/93/383335093.db2.gz PNEWIQLKHOJJEN-LBPRGKRZSA-N 2 0 268.351 2.833 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000634733237 383335275 /nfs/dbraw/zinc/33/52/75/383335275.db2.gz ARBYNBGDQYHOPL-GDBMZVCRSA-N 2 0 292.471 2.763 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000634733350 383335289 /nfs/dbraw/zinc/33/52/89/383335289.db2.gz DBOLFKSCDBHBEF-SJORKVTESA-N 2 0 272.436 2.912 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000339673249 383282571 /nfs/dbraw/zinc/28/25/71/383282571.db2.gz FSVJMZLNVRHGRG-GOSISDBHSA-N 2 0 293.499 2.525 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000567515967 383283605 /nfs/dbraw/zinc/28/36/05/383283605.db2.gz OZRKWBGNFULPBF-KCQAQPDRSA-N 2 0 294.414 2.825 20 0 CFADRP C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248754054 383288405 /nfs/dbraw/zinc/28/84/05/383288405.db2.gz CMTMNIRHUKIFOL-LUGNKYPNSA-N 2 0 294.464 2.775 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CS1 ZINC000459729041 383294994 /nfs/dbraw/zinc/29/49/94/383294994.db2.gz DDKVDWKSNSCXLT-KFWWJZLASA-N 2 0 270.486 2.838 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCCCC1 ZINC000567639029 383296300 /nfs/dbraw/zinc/29/63/00/383296300.db2.gz LFXMBTWKUYUNJD-GVDBMIGSSA-N 2 0 293.499 2.939 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339719845 383296736 /nfs/dbraw/zinc/29/67/36/383296736.db2.gz VQNNNINFZNFXKT-RBSFLKMASA-N 2 0 250.430 2.981 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000567654802 383298808 /nfs/dbraw/zinc/29/88/08/383298808.db2.gz DCBKAMDLTVYCQF-KCXAZCMYSA-N 2 0 259.397 2.640 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000248864917 383300849 /nfs/dbraw/zinc/30/08/49/383300849.db2.gz HLBOOCYNTQQYCF-KLHDSHLOSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248880255 383301519 /nfs/dbraw/zinc/30/15/19/383301519.db2.gz KLYRCTOFKWHUPC-UCHQMPSGSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000248903472 383305969 /nfs/dbraw/zinc/30/59/69/383305969.db2.gz ZPWDXZXZWSKZPY-BFYDXBDKSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679678 383308771 /nfs/dbraw/zinc/30/87/71/383308771.db2.gz BOMXJUFIVJMJKJ-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4ncccc34)C[C@H]21 ZINC000634687961 383319777 /nfs/dbraw/zinc/31/97/77/383319777.db2.gz DNZHGYBSZBJFPI-USXIJHARSA-N 2 0 281.403 2.794 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449479350 383320449 /nfs/dbraw/zinc/32/04/49/383320449.db2.gz MCMCGXZDMGEUFS-OAHLLOKOSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249058359 383322381 /nfs/dbraw/zinc/32/23/81/383322381.db2.gz ZHAGUVOYIFRAIF-LEUOFYLZSA-N 2 0 288.435 2.807 20 0 CFADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000568321015 383390387 /nfs/dbraw/zinc/39/03/87/383390387.db2.gz WNUVEMGYTVYXJL-SJORKVTESA-N 2 0 296.499 2.981 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450405612 383394523 /nfs/dbraw/zinc/39/45/23/383394523.db2.gz QHQXNKXWBBISLM-IVEQORNPSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000251783234 383396393 /nfs/dbraw/zinc/39/63/93/383396393.db2.gz LFNCMWIOTUDRAC-OWSLCNJRSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000251854727 383397503 /nfs/dbraw/zinc/39/75/03/383397503.db2.gz PIGPEXWPGOFIMJ-MLHJIOFPSA-N 2 0 295.515 2.673 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000568410348 383399612 /nfs/dbraw/zinc/39/96/12/383399612.db2.gz JPKCWECTRUZORX-RYQLBKOJSA-N 2 0 290.451 2.772 20 0 CFADRP CC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000340281550 383403030 /nfs/dbraw/zinc/40/30/30/383403030.db2.gz FQEBTHMNGYRZQX-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000449579920 383356445 /nfs/dbraw/zinc/35/64/45/383356445.db2.gz LAKOOIFIMVDXBL-RDJZCZTQSA-N 2 0 294.483 2.782 20 0 CFADRP CCCC[C@@H](C(=O)OC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000524179527 383367852 /nfs/dbraw/zinc/36/78/52/383367852.db2.gz VICSIVIDIZFTFK-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCO[C@H]12 ZINC000250070200 383370016 /nfs/dbraw/zinc/37/00/16/383370016.db2.gz NUSBMGKDQFVLLR-RCCFBDPRSA-N 2 0 292.467 2.941 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000340209025 383381224 /nfs/dbraw/zinc/38/12/24/383381224.db2.gz GGOYXKONLHMUOL-PMPSAXMXSA-N 2 0 298.471 2.818 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000250852386 383381507 /nfs/dbraw/zinc/38/15/07/383381507.db2.gz MTYYTFMNHRCMRJ-UBHSHLNASA-N 2 0 262.422 2.941 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248352 383381732 /nfs/dbraw/zinc/38/17/32/383381732.db2.gz OIKLSCBGLAAJTK-ZWKOTPCHSA-N 2 0 289.467 2.886 20 0 CFADRP C[C@@H]1CCN(CC[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000524771470 383384198 /nfs/dbraw/zinc/38/41/98/383384198.db2.gz XDXQRKHICHUGPT-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251196275 383385931 /nfs/dbraw/zinc/38/59/31/383385931.db2.gz KAKGGLASGUKYFG-PVAVHDDUSA-N 2 0 288.435 2.930 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000340230453 383386080 /nfs/dbraw/zinc/38/60/80/383386080.db2.gz IXFZVNPAOSIOAJ-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000251351445 383387701 /nfs/dbraw/zinc/38/77/01/383387701.db2.gz SLUYGGBIOSTHSX-FJIDUMEYSA-N 2 0 293.499 2.617 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+][C@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000340459512 383424591 /nfs/dbraw/zinc/42/45/91/383424591.db2.gz UXAGDJUMDIMJLZ-RKTXRCNFSA-N 2 0 258.409 2.862 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000568709001 383427912 /nfs/dbraw/zinc/42/79/12/383427912.db2.gz AXHATKBISJDDHW-UXLLHSPISA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CC[C@H]1[NH3+] ZINC000252701594 383429346 /nfs/dbraw/zinc/42/93/46/383429346.db2.gz DRAWRNKVSBFIIW-ZWNOBZJWSA-N 2 0 254.324 2.793 20 0 CFADRP CC(C)OC1CC([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000428240853 383433386 /nfs/dbraw/zinc/43/33/86/383433386.db2.gz PZJQCIJXCVSEIA-NUWOQIAWSA-N 2 0 282.472 2.900 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252776926 383433562 /nfs/dbraw/zinc/43/35/62/383433562.db2.gz ONFMKMHHLRZTSH-GJZGRUSLSA-N 2 0 292.423 2.523 20 0 CFADRP CCCc1nc(C)c(CN(C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000428236293 383434057 /nfs/dbraw/zinc/43/40/57/383434057.db2.gz JXYVVWHBLMSMAE-AWEZNQCLSA-N 2 0 279.428 2.709 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340475312 383434679 /nfs/dbraw/zinc/43/46/79/383434679.db2.gz YBPLMPAXFQUJCY-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479135 383437346 /nfs/dbraw/zinc/43/73/46/383437346.db2.gz WHSDBFTUONQTFC-ZACQAIPSSA-N 3 0 281.488 2.571 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000252853652 383437745 /nfs/dbraw/zinc/43/77/45/383437745.db2.gz JGCOXOQKMWFFBC-YESZJQIVSA-N 2 0 258.409 2.863 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000252894578 383438333 /nfs/dbraw/zinc/43/83/33/383438333.db2.gz WDVQYDBJZUZBSG-SMDDNHRTSA-N 2 0 252.789 2.770 20 0 CFADRP CCc1nc(C)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000428255818 383438482 /nfs/dbraw/zinc/43/84/82/383438482.db2.gz LRCWUPPDDFBASC-HNNXBMFYSA-N 2 0 291.439 2.853 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252890916 383438861 /nfs/dbraw/zinc/43/88/61/383438861.db2.gz IYTDMEKCEBHGJD-PBHICJAKSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)N(Cc1cccc(F)c1)CC12CC(C1)C[NH2+]2 ZINC000634991357 383446979 /nfs/dbraw/zinc/44/69/79/383446979.db2.gz AZAPADMLAIILFR-UHFFFAOYSA-N 2 0 262.372 2.788 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995442 383450731 /nfs/dbraw/zinc/45/07/31/383450731.db2.gz DWGPXNMPFSMLJD-CQSZACIVSA-N 2 0 298.434 2.938 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000484313050 383455804 /nfs/dbraw/zinc/45/58/04/383455804.db2.gz SWYGLFQUPRONRB-ARFHVFGLSA-N 2 0 270.461 2.902 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc12 ZINC000634999801 383456793 /nfs/dbraw/zinc/45/67/93/383456793.db2.gz ZFGROPLPNNKWMD-DZGCQCFKSA-N 2 0 284.403 2.875 20 0 CFADRP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000635000363 383457509 /nfs/dbraw/zinc/45/75/09/383457509.db2.gz MUXVZYBJVOOUOZ-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP CCSc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634999421 383457687 /nfs/dbraw/zinc/45/76/87/383457687.db2.gz UNOQLIFUKJACPT-TZMCWYRMSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002050 383458922 /nfs/dbraw/zinc/45/89/22/383458922.db2.gz LGXYTRBSILQTPB-XSRFYTQQSA-N 2 0 289.379 2.702 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000635004219 383461262 /nfs/dbraw/zinc/46/12/62/383461262.db2.gz HLVFELJKRWBMRD-JDFRZJQESA-N 2 0 274.408 2.877 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635005649 383461941 /nfs/dbraw/zinc/46/19/41/383461941.db2.gz JLJZAWMWPNUJFM-OFQRWUPVSA-N 2 0 273.424 2.693 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635006179 383462420 /nfs/dbraw/zinc/46/24/20/383462420.db2.gz XUHHUTQKBXIPKW-PSASIEDQSA-N 2 0 278.343 2.984 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC2(F)CC2)C1 ZINC000527223012 383464620 /nfs/dbraw/zinc/46/46/20/383464620.db2.gz FUBYMSBHCNUIKJ-OKILXGFUSA-N 2 0 256.409 2.836 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635008188 383464604 /nfs/dbraw/zinc/46/46/04/383464604.db2.gz RAOQKQJKFKOXNM-CAOSSQGBSA-N 2 0 285.435 2.564 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635008190 383464780 /nfs/dbraw/zinc/46/47/80/383464780.db2.gz RAOQKQJKFKOXNM-QKPAOTATSA-N 2 0 285.435 2.564 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c(C)n1 ZINC000635009094 383465196 /nfs/dbraw/zinc/46/51/96/383465196.db2.gz SXRJZGVJLMCMBJ-SUMWQHHRSA-N 2 0 298.434 2.704 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635009397 383465250 /nfs/dbraw/zinc/46/52/50/383465250.db2.gz VCLHTFINDLFGBW-ZIAGYGMSSA-N 2 0 261.413 2.693 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000635008894 383465383 /nfs/dbraw/zinc/46/53/83/383465383.db2.gz FMRLBNWGBZODSP-OCCSQVGLSA-N 2 0 276.428 2.522 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cncs1 ZINC000635009833 383466625 /nfs/dbraw/zinc/46/66/25/383466625.db2.gz WKWDXRCQIHZQAQ-OCCSQVGLSA-N 2 0 275.421 2.754 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010509 383467276 /nfs/dbraw/zinc/46/72/76/383467276.db2.gz MUSBDZMJBMVLCB-KSSFIOAISA-N 2 0 288.435 2.627 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cncs1 ZINC000635011026 383467486 /nfs/dbraw/zinc/46/74/86/383467486.db2.gz LVAHQFIYNPVNSZ-GHMZBOCLSA-N 2 0 253.415 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000635012671 383467693 /nfs/dbraw/zinc/46/76/93/383467693.db2.gz VDWXSXPHUPMKTK-HUUCEWRRSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635012380 383467734 /nfs/dbraw/zinc/46/77/34/383467734.db2.gz LYPTXIIVLOYCAH-JYJNAYRXSA-N 2 0 280.456 2.833 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1O ZINC000635012320 383467878 /nfs/dbraw/zinc/46/78/78/383467878.db2.gz SMGDDKPSGUNVNG-GXTWGEPZSA-N 2 0 292.423 2.830 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012053 383467948 /nfs/dbraw/zinc/46/79/48/383467948.db2.gz IVORZJKDDCMADS-IUODEOHRSA-N 2 0 257.381 2.646 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000635011661 383468378 /nfs/dbraw/zinc/46/83/78/383468378.db2.gz OOPINXMLUWPKMU-GJZGRUSLSA-N 2 0 273.424 2.827 20 0 CFADRP COCC1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000635012886 383468994 /nfs/dbraw/zinc/46/89/94/383468994.db2.gz WNXJKICSRPHYQR-NRXISQOPSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635013451 383469706 /nfs/dbraw/zinc/46/97/06/383469706.db2.gz TVSLQKZZUDPRSI-ZBFHGGJFSA-N 2 0 257.381 2.918 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CNc3ccccc32)CC[N@@H+]1C ZINC000635021381 383473838 /nfs/dbraw/zinc/47/38/38/383473838.db2.gz OGHDNTKYEADDFC-QLFBSQMISA-N 2 0 273.424 2.658 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccco1 ZINC000635024503 383475164 /nfs/dbraw/zinc/47/51/64/383475164.db2.gz ZCPCWQYYXWQCQW-LBPRGKRZSA-N 2 0 256.349 2.776 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000428464157 383478429 /nfs/dbraw/zinc/47/84/29/383478429.db2.gz TYSKMYZEZVZIFX-RYRKJORJSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000487545510 383479942 /nfs/dbraw/zinc/47/99/42/383479942.db2.gz ZDSMAPYPQUMTKS-HUUCEWRRSA-N 2 0 270.486 2.697 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252513454 383417035 /nfs/dbraw/zinc/41/70/35/383417035.db2.gz RAHBJUWITVDBSO-SJORKVTESA-N 2 0 274.408 2.549 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(COC)CCC2)[C@@H](C)C1 ZINC000340438156 383419596 /nfs/dbraw/zinc/41/95/96/383419596.db2.gz AAGJWJSUJWVYIJ-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CC1(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525997467 383419662 /nfs/dbraw/zinc/41/96/62/383419662.db2.gz XLTHRUULSOJNAY-INIZCTEOSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000261705726 383544912 /nfs/dbraw/zinc/54/49/12/383544912.db2.gz DAWUTHNCBYVEFM-KBPBESRZSA-N 2 0 289.423 2.737 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC000341053196 383546896 /nfs/dbraw/zinc/54/68/96/383546896.db2.gz GCOJJUQYWSIHNP-RDJZCZTQSA-N 2 0 298.430 2.947 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261724189 383548244 /nfs/dbraw/zinc/54/82/44/383548244.db2.gz GKDWGFVBPDEMJG-INIZCTEOSA-N 2 0 262.397 2.517 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261724463 383548541 /nfs/dbraw/zinc/54/85/41/383548541.db2.gz QLMXCYGTLWWLEC-QGZVFWFLSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000261716734 383548587 /nfs/dbraw/zinc/54/85/87/383548587.db2.gz FGRKLRXELBCSHK-CABCVRRESA-N 2 0 280.460 2.506 20 0 CFADRP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000255548962 383484300 /nfs/dbraw/zinc/48/43/00/383484300.db2.gz CSWMGUMRETVVSJ-TXQCQQFXSA-N 2 0 288.435 2.648 20 0 CFADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000569303185 383485121 /nfs/dbraw/zinc/48/51/21/383485121.db2.gz PSLIVTIPIIMVSV-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCC[C@@H]1C ZINC000488002694 383486043 /nfs/dbraw/zinc/48/60/43/383486043.db2.gz ZCGZPESXHBZNGU-JYJNAYRXSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)CN1CCO[C@@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000255953481 383488222 /nfs/dbraw/zinc/48/82/22/383488222.db2.gz GTBAEHLWLNJBNE-VVLHAWIVSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257715651 383497677 /nfs/dbraw/zinc/49/76/77/383497677.db2.gz URXRUOFYQRHWMH-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCN1CCOC ZINC000569438147 383499369 /nfs/dbraw/zinc/49/93/69/383499369.db2.gz NGWROJRUXAXTCE-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnc2ccccc12 ZINC000569453123 383500993 /nfs/dbraw/zinc/50/09/93/383500993.db2.gz WSJAVDUBISYYHC-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000261562257 383513889 /nfs/dbraw/zinc/51/38/89/383513889.db2.gz BERCZUCBVPZROK-SNVBAGLBSA-N 2 0 285.229 2.707 20 0 CFADRP CC1(C)CC(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000528396980 383519451 /nfs/dbraw/zinc/51/94/51/383519451.db2.gz RLTGRGLUUPVPKE-UHFFFAOYSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450851708 383520654 /nfs/dbraw/zinc/52/06/54/383520654.db2.gz BVXBSTRLLKDVJF-NXHRZFHOSA-N 2 0 290.451 2.567 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000261590837 383522252 /nfs/dbraw/zinc/52/22/52/383522252.db2.gz LOVWERMJXBKHGH-HZPDHXFCSA-N 2 0 258.409 2.653 20 0 CFADRP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261590370 383522280 /nfs/dbraw/zinc/52/22/80/383522280.db2.gz WYPDMPQGDYQEHB-LLVKDONJSA-N 2 0 264.335 2.649 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000261590058 383522497 /nfs/dbraw/zinc/52/24/97/383522497.db2.gz WRYZCQFUIDFPLP-BARDWOONSA-N 2 0 268.470 2.640 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429362568 383523100 /nfs/dbraw/zinc/52/31/00/383523100.db2.gz MRWWXKKHLJHHBM-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000429585290 383551388 /nfs/dbraw/zinc/55/13/88/383551388.db2.gz IYNIMDKXGWCKOT-UPJWGTAASA-N 2 0 275.396 2.518 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000261596727 383524852 /nfs/dbraw/zinc/52/48/52/383524852.db2.gz PGVMSGJLSZNCTB-BBRMVZONSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261610175 383527439 /nfs/dbraw/zinc/52/74/39/383527439.db2.gz SHGQPZQZLXLRJI-WBVHZDCISA-N 2 0 258.409 2.796 20 0 CFADRP c1sc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261611032 383528578 /nfs/dbraw/zinc/52/85/78/383528578.db2.gz SKSBTXZRQBRJMF-STQMWFEESA-N 2 0 272.417 2.943 20 0 CFADRP C/C(Cl)=C\C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000528425953 383531364 /nfs/dbraw/zinc/53/13/64/383531364.db2.gz SEYNYJUGIBQEAU-ZLZNYHFISA-N 2 0 253.777 2.909 20 0 CFADRP CC(C)C1CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000488420819 383533676 /nfs/dbraw/zinc/53/36/76/383533676.db2.gz MJATUGOSGPEKIX-KXIUCKCTSA-N 2 0 294.483 2.779 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000569747002 383534808 /nfs/dbraw/zinc/53/48/08/383534808.db2.gz LPLMZDIHMQWZNF-ZDUSSCGKSA-N 2 0 292.423 2.783 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000569746701 383535093 /nfs/dbraw/zinc/53/50/93/383535093.db2.gz BTWDOIXCPHXQRW-KFWWJZLASA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CS1 ZINC000488429175 383536330 /nfs/dbraw/zinc/53/63/30/383536330.db2.gz BWKMTVZXIBTQQB-XQLPTFJDSA-N 2 0 270.486 2.979 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)CCC1 ZINC000429520340 383538754 /nfs/dbraw/zinc/53/87/54/383538754.db2.gz XRWHKAWOSRFPJT-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CCOc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000569811254 383539740 /nfs/dbraw/zinc/53/97/40/383539740.db2.gz YNKHCWQBIARIHR-UHFFFAOYSA-N 2 0 270.376 2.834 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000450896053 383540043 /nfs/dbraw/zinc/54/00/43/383540043.db2.gz MEOHZMFDDURHNS-AWEZNQCLSA-N 2 0 277.412 2.647 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCSCCOC)C[C@H]1C ZINC000488452720 383544018 /nfs/dbraw/zinc/54/40/18/383544018.db2.gz BBGDYUYEZFQPBZ-HUUCEWRRSA-N 2 0 288.501 2.561 20 0 CFADRP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430918259 383611352 /nfs/dbraw/zinc/61/13/52/383611352.db2.gz MGHOIBWLIZZTMI-AWEZNQCLSA-N 2 0 276.424 2.644 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000261925605 383580376 /nfs/dbraw/zinc/58/03/76/383580376.db2.gz KZCOGMRFBUZRQW-VHSXEESVSA-N 2 0 258.818 2.961 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000261920383 383580542 /nfs/dbraw/zinc/58/05/42/383580542.db2.gz KIJWZBHYBRPHNR-RKDXNWHRSA-N 2 0 278.343 2.936 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccncc2C)C[C@H]1C ZINC000570206954 383581902 /nfs/dbraw/zinc/58/19/02/383581902.db2.gz XDZDKOBYQXDFNB-NVXWUHKLSA-N 2 0 275.440 2.737 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261946421 383584559 /nfs/dbraw/zinc/58/45/59/383584559.db2.gz FJADODOWINDLOQ-TXEJJXNPSA-N 2 0 286.379 2.568 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000261965545 383588319 /nfs/dbraw/zinc/58/83/19/383588319.db2.gz PWRZNVQXEJSTQO-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261966939 383589136 /nfs/dbraw/zinc/58/91/36/383589136.db2.gz PZACCXFADFLWGA-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@H](C)C[NH+](C)C)c1C ZINC000488992332 383589985 /nfs/dbraw/zinc/58/99/85/383589985.db2.gz JVARSGCGKHFNAD-LBPRGKRZSA-N 2 0 271.408 2.883 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@@H](C)C[NH+](C)C)c2c1 ZINC000489017775 383590898 /nfs/dbraw/zinc/59/08/98/383590898.db2.gz UIKHJPHQNFTECE-CYBMUJFWSA-N 2 0 257.381 2.575 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261991335 383591330 /nfs/dbraw/zinc/59/13/30/383591330.db2.gz SKHIDBIFIGMUOB-RISCZKNCSA-N 2 0 282.815 2.908 20 0 CFADRP Cc1nc2ccc(CN(C3CC3)[C@H]3CC[NH2+]C3)cc2s1 ZINC000262023352 383595955 /nfs/dbraw/zinc/59/59/55/383595955.db2.gz WIFNXZORJFCTAL-AWEZNQCLSA-N 2 0 287.432 2.931 20 0 CFADRP CCn1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC000262060631 383601343 /nfs/dbraw/zinc/60/13/43/383601343.db2.gz DVRQNQZGZYTYIL-NUEKZKHPSA-N 2 0 298.434 2.615 20 0 CFADRP CCn1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC000262060628 383601525 /nfs/dbraw/zinc/60/15/25/383601525.db2.gz DVRQNQZGZYTYIL-BPUTZDHNSA-N 2 0 298.434 2.615 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1COc2ccccc2C1 ZINC000262216926 383612653 /nfs/dbraw/zinc/61/26/53/383612653.db2.gz MGIADODKVXDAGO-HYVNUMGLSA-N 2 0 288.435 2.891 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC000430927907 383612691 /nfs/dbraw/zinc/61/26/91/383612691.db2.gz RZHCCAADUGXXHP-INIZCTEOSA-N 2 0 276.424 2.614 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262141280 383608842 /nfs/dbraw/zinc/60/88/42/383608842.db2.gz ZEVUVEQIZTZDFP-SFHVURJKSA-N 2 0 287.451 2.871 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]C1 ZINC000261759904 383553606 /nfs/dbraw/zinc/55/36/06/383553606.db2.gz LGQDTJVOBUNIDO-HZPDHXFCSA-N 2 0 262.372 2.962 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261759811 383554553 /nfs/dbraw/zinc/55/45/53/383554553.db2.gz LFQCJOGAOQUHLM-QGZVFWFLSA-N 2 0 292.423 2.525 20 0 CFADRP c1ccc(CSCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430907241 383610260 /nfs/dbraw/zinc/61/02/60/383610260.db2.gz QLRFAEUZEAKOLV-UHFFFAOYSA-N 2 0 290.476 2.995 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261770068 383556395 /nfs/dbraw/zinc/55/63/95/383556395.db2.gz MFGCGMJRWZHOHK-KRWDZBQOSA-N 2 0 284.407 2.556 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1F ZINC000422768318 532995389 /nfs/dbraw/zinc/99/53/89/532995389.db2.gz SAEMLDQFHMVYKC-KDOFPFPSSA-N 2 0 286.394 2.916 20 0 CFADRP CC(C)[NH+](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)C(C)C ZINC000261775630 383558242 /nfs/dbraw/zinc/55/82/42/383558242.db2.gz WLGKABFQPNMNPF-MRXNPFEDSA-N 2 0 297.487 2.519 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261790105 383562060 /nfs/dbraw/zinc/56/20/60/383562060.db2.gz GCCYETSGHRFIPK-CMPLNLGQSA-N 2 0 265.426 2.580 20 0 CFADRP c1sc(-c2ccccc2)nc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261804590 383562637 /nfs/dbraw/zinc/56/26/37/383562637.db2.gz ZEADTYXZFBLVGX-KRWDZBQOSA-N 2 0 299.443 2.996 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000570035830 383563504 /nfs/dbraw/zinc/56/35/04/383563504.db2.gz ZXYUNRJEFKTTHU-KDOFPFPSSA-N 2 0 298.434 2.694 20 0 CFADRP CCOc1ccc(CN2CCC[C@@H](C[NH2+]C)C2)cc1F ZINC000261809267 383564072 /nfs/dbraw/zinc/56/40/72/383564072.db2.gz HNMKIXBXQDYRCS-AWEZNQCLSA-N 2 0 280.387 2.656 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)CC2CCCC2)CCCC1 ZINC000570038917 383564858 /nfs/dbraw/zinc/56/48/58/383564858.db2.gz IUSGIXWXDCUOGU-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C1CC1 ZINC000570919164 383646747 /nfs/dbraw/zinc/64/67/47/383646747.db2.gz DATDKTIQZNLQNL-ZBFHGGJFSA-N 2 0 269.392 2.872 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430970881 383617377 /nfs/dbraw/zinc/61/73/77/383617377.db2.gz IYDXBRAHSJQOOG-RHSMWYFYSA-N 2 0 284.403 2.888 20 0 CFADRP COc1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000262416838 383619903 /nfs/dbraw/zinc/61/99/03/383619903.db2.gz DRJFFQSAIAEKKV-ROUUACIJSA-N 2 0 296.414 2.890 20 0 CFADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074757 383628487 /nfs/dbraw/zinc/62/84/87/383628487.db2.gz XSICAJPLUGQFOU-RYUDHWBXSA-N 2 0 280.416 2.664 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ncc(C)cc2C)C1 ZINC000645811788 383756323 /nfs/dbraw/zinc/75/63/23/383756323.db2.gz JZRLWLOYHRBFJV-QGZVFWFLSA-N 2 0 289.467 2.905 20 0 CFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000453101864 383766167 /nfs/dbraw/zinc/76/61/67/383766167.db2.gz ZKPRENXJADUZQE-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000572256304 383767702 /nfs/dbraw/zinc/76/77/02/383767702.db2.gz IMFJAFZVVUFOED-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000422854654 533002801 /nfs/dbraw/zinc/00/28/01/533002801.db2.gz ULVSORMKDLAKIV-MUIFIZLQSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000571031928 383661249 /nfs/dbraw/zinc/66/12/49/383661249.db2.gz VKBZAFAYOYOCRA-FXUDXRNXSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)c2ccccc21 ZINC000571038347 383661544 /nfs/dbraw/zinc/66/15/44/383661544.db2.gz NIOSFWBWBVSJOX-IRXDYDNUSA-N 2 0 294.402 2.631 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000571060167 383663078 /nfs/dbraw/zinc/66/30/78/383663078.db2.gz ARWGYUCWEJXUBL-RRFJBIMHSA-N 2 0 282.815 2.887 20 0 CFADRP COCC1(C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000572702557 383807515 /nfs/dbraw/zinc/80/75/15/383807515.db2.gz RZLRNVJRGMWCNM-OAHLLOKOSA-N 2 0 282.472 2.809 20 0 CFADRP COCC1(C[NH2+]C[C@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000572702555 383807792 /nfs/dbraw/zinc/80/77/92/383807792.db2.gz RZLRNVJRGMWCNM-HNNXBMFYSA-N 2 0 282.472 2.809 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)ccn1 ZINC000572706921 383808021 /nfs/dbraw/zinc/80/80/21/383808021.db2.gz WWYIOUDEGAKKOJ-ZDUSSCGKSA-N 2 0 289.423 2.615 20 0 CFADRP CN(CCCC[NH+]1CCCCC1)Cc1nnc(C2CC2)o1 ZINC000640532051 383818104 /nfs/dbraw/zinc/81/81/04/383818104.db2.gz URWNEVYWBRGBMS-UHFFFAOYSA-N 2 0 292.427 2.645 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCOC1CCC1 ZINC000640533063 383819608 /nfs/dbraw/zinc/81/96/08/383819608.db2.gz BNXOGYWFPSKZIN-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP C[C@H]1CC[C@H](C[N@H+](C)CCCC[NH+]2CCCCC2)O1 ZINC000640535029 383820185 /nfs/dbraw/zinc/82/01/85/383820185.db2.gz YTLGUHSDSDDWHJ-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cs1 ZINC000453139590 383781467 /nfs/dbraw/zinc/78/14/67/383781467.db2.gz RTERDDCOPFWYKM-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP c1cc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCC2)cs1 ZINC000436284432 383798785 /nfs/dbraw/zinc/79/87/85/383798785.db2.gz ZNFKDYATEATUFP-UHFFFAOYSA-N 2 0 290.436 2.714 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000453405146 383852271 /nfs/dbraw/zinc/85/22/71/383852271.db2.gz DXRUTJFEAVOPLG-UGUYLWEFSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[C@H]([NH2+]CCC[NH+]1CCCCC1)C1(CO)CC=CC1 ZINC000646083845 383856591 /nfs/dbraw/zinc/85/65/91/383856591.db2.gz FPQGFUUSAMNZAS-KRWDZBQOSA-N 2 0 294.483 2.805 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453590850 383863103 /nfs/dbraw/zinc/86/31/03/383863103.db2.gz CACTZXXGIGOYBK-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccn(-c2ccccc2)n1)C1CC1 ZINC000453593662 383865224 /nfs/dbraw/zinc/86/52/24/383865224.db2.gz HDGAIUVUZDCNSR-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1F ZINC000453601731 383868958 /nfs/dbraw/zinc/86/89/58/383868958.db2.gz VKGCYBCTYLRVCZ-UHFFFAOYSA-N 2 0 280.387 2.798 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000573091137 383869823 /nfs/dbraw/zinc/86/98/23/383869823.db2.gz VZHPJIRMHKAZIQ-SNVBAGLBSA-N 2 0 265.426 2.580 20 0 CFADRP Cc1ccc2nc(C[NH2+]CCCC[N@@H+](C)C3CC3)cn2c1 ZINC000453605033 383872766 /nfs/dbraw/zinc/87/27/66/383872766.db2.gz ZPTZLMWEMSPFRV-UHFFFAOYSA-N 2 0 286.423 2.607 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000573137323 383879192 /nfs/dbraw/zinc/87/91/92/383879192.db2.gz KMQHANIAORTKLR-ROUUACIJSA-N 2 0 290.451 2.885 20 0 CFADRP O[C@H](C[NH2+][C@H](CC1CC1)c1ccccc1)C[NH+]1CCCC1 ZINC000531701955 383907670 /nfs/dbraw/zinc/90/76/70/383907670.db2.gz RCCOACQONOLKCY-QZTJIDSGSA-N 2 0 288.435 2.574 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000531704395 383908572 /nfs/dbraw/zinc/90/85/72/383908572.db2.gz SIPWVUQLHQDJQZ-BSDSXHPESA-N 3 0 295.515 2.959 20 0 CFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc2ccccc21 ZINC000573352674 383915962 /nfs/dbraw/zinc/91/59/62/383915962.db2.gz HQMZNXYXLRJGFW-UHFFFAOYSA-N 2 0 299.462 2.765 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422710755 533018867 /nfs/dbraw/zinc/01/88/67/533018867.db2.gz LOBKIMUACWLGFG-HOCLYGCPSA-N 2 0 278.440 2.696 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000422892142 533019516 /nfs/dbraw/zinc/01/95/16/533019516.db2.gz XNYFPEVZIGNUQK-HOCLYGCPSA-N 2 0 264.413 2.708 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cc(C)cc(C)c1 ZINC000422922623 533020729 /nfs/dbraw/zinc/02/07/29/533020729.db2.gz QHEXKELVDSTBEK-WBVHZDCISA-N 2 0 278.440 2.578 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000573220876 383896176 /nfs/dbraw/zinc/89/61/76/383896176.db2.gz RKQBXQYGTKBLAP-NUEKZKHPSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](C)S1 ZINC000531614488 383898611 /nfs/dbraw/zinc/89/86/11/383898611.db2.gz KHZXFJNZSPFSOG-HZSPNIEDSA-N 2 0 256.459 2.687 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C)c1C ZINC000422748145 533020942 /nfs/dbraw/zinc/02/09/42/533020942.db2.gz SFBRBWXMTFTZFT-CABCVRRESA-N 2 0 264.413 2.708 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2C)C1 ZINC000423108152 533022224 /nfs/dbraw/zinc/02/22/24/533022224.db2.gz SWZXKRWQCDJGLI-JYJNAYRXSA-N 2 0 276.424 2.585 20 0 CFADRP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC000573772640 383988356 /nfs/dbraw/zinc/98/83/56/383988356.db2.gz SPLMLFZUCWISID-MSOLQXFVSA-N 2 0 296.499 2.740 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN1CCCCC1)C1CCOCC1 ZINC000532195542 383989702 /nfs/dbraw/zinc/98/97/02/383989702.db2.gz SEQUPPNFUBEQIU-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CCC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000531937297 383943099 /nfs/dbraw/zinc/94/30/99/383943099.db2.gz VXVJVLVXONXMGX-UKRRQHHQSA-N 2 0 289.423 2.607 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000573555593 383948475 /nfs/dbraw/zinc/94/84/75/383948475.db2.gz DMRPYAVVIYQOGF-DOMZBBRYSA-N 2 0 289.423 2.595 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531977527 383951063 /nfs/dbraw/zinc/95/10/63/383951063.db2.gz XDNDOGNJTFGWDO-XQHKEYJVSA-N 2 0 278.362 2.895 20 0 CFADRP C(CC[NH2+]CC[C@@H]1CCOC1)CC[NH+]1CCCCC1 ZINC000438213437 383972865 /nfs/dbraw/zinc/97/28/65/383972865.db2.gz XXXSAJNCOJUSQZ-MRXNPFEDSA-N 2 0 268.445 2.659 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000573951063 384020101 /nfs/dbraw/zinc/02/01/01/384020101.db2.gz UMRMQEZUJVWIJM-QGZVFWFLSA-N 2 0 258.409 2.597 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000573998441 384025332 /nfs/dbraw/zinc/02/53/32/384025332.db2.gz WPXCWJAZNISGSK-DOTOQJQBSA-N 2 0 278.440 2.594 20 0 CFADRP Cc1cccc2c1ccnc2NC[C@H](C)C[NH+]1CCOCC1 ZINC000573916442 384011139 /nfs/dbraw/zinc/01/11/39/384011139.db2.gz RFHNHUBDTUHFGF-AWEZNQCLSA-N 2 0 299.418 2.923 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000646626780 384047267 /nfs/dbraw/zinc/04/72/67/384047267.db2.gz FKAJRZSLVMGGRD-MRXNPFEDSA-N 2 0 289.423 2.609 20 0 CFADRP Cc1cccc2c1ccnc2NCCCn1ccnc1 ZINC000574396379 384087571 /nfs/dbraw/zinc/08/75/71/384087571.db2.gz XYTBEXCZEHCRBH-UHFFFAOYSA-N 2 0 266.348 2.664 20 0 CFADRP [NH3+]CCC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000574332860 384081604 /nfs/dbraw/zinc/08/16/04/384081604.db2.gz WLRSPVQOQLUMIT-MRXNPFEDSA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NCc2coc(-c3cccs3)n2)C1 ZINC000574652031 384129093 /nfs/dbraw/zinc/12/90/93/384129093.db2.gz USLLXKALAOBYPZ-GHMZBOCLSA-N 2 0 277.393 2.763 20 0 CFADRP C(CC1CC[NH2+]CC1)C[NH+](CC1CC1)CC1CC1 ZINC000070506128 412977538 /nfs/dbraw/zinc/97/75/38/412977538.db2.gz UUHGHMXVKKBZFG-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP COc1cccc(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277169048 384219924 /nfs/dbraw/zinc/21/99/24/384219924.db2.gz KQQYRKLETUOLHV-HNNXBMFYSA-N 2 0 262.397 2.611 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637906555 384266986 /nfs/dbraw/zinc/26/69/86/384266986.db2.gz VKDSOTFJILNPRG-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CSc1ccc(C[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)o1 ZINC000641703744 384275938 /nfs/dbraw/zinc/27/59/38/384275938.db2.gz CXTSVCQXLBCNQE-CHWSQXEVSA-N 2 0 298.452 2.590 20 0 CFADRP COc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000637957570 384306411 /nfs/dbraw/zinc/30/64/11/384306411.db2.gz HPZVKVILRBDLMW-UHFFFAOYSA-N 2 0 297.468 2.704 20 0 CFADRP Cc1ccsc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277502436 384321168 /nfs/dbraw/zinc/32/11/68/384321168.db2.gz NZNNTSZNTPTHLF-ZDUSSCGKSA-N 2 0 252.427 2.973 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277584810 384345927 /nfs/dbraw/zinc/34/59/27/384345927.db2.gz UHJUCUGWHXKQMX-KRWDZBQOSA-N 2 0 276.424 2.749 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281124698 195114573 /nfs/dbraw/zinc/11/45/73/195114573.db2.gz DLAGFQJBDNIVCJ-WBMJQRKESA-N 2 0 277.387 2.603 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000641797650 384363227 /nfs/dbraw/zinc/36/32/27/384363227.db2.gz FCMCISQIDJJHQY-CQSZACIVSA-N 2 0 277.412 2.509 20 0 CFADRP CC1(C)[C@H]([NH2+]CCSc2ccc(F)cc2F)C[C@@H]1[NH3+] ZINC000641801616 384368324 /nfs/dbraw/zinc/36/83/24/384368324.db2.gz TYYBZJHPMQEUPP-QWHCGFSZSA-N 2 0 286.391 2.772 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000641801617 384369721 /nfs/dbraw/zinc/36/97/21/384369721.db2.gz TYYBZJHPMQEUPP-STQMWFEESA-N 2 0 286.391 2.772 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2c(F)cccc2Cl)C[C@@H]1[NH3+] ZINC000641803345 384371274 /nfs/dbraw/zinc/37/12/74/384371274.db2.gz SMTLVGUVBQABQM-QWHCGFSZSA-N 2 0 270.779 2.737 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nccnc3c2)C[C@H]1C ZINC000638110204 384422051 /nfs/dbraw/zinc/42/20/51/384422051.db2.gz JNROCNNWLUENSM-ZBFHGGJFSA-N 2 0 298.434 2.934 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])o1 ZINC000641819988 384381232 /nfs/dbraw/zinc/38/12/32/384381232.db2.gz KNNDFCZOOVKQHK-OCCSQVGLSA-N 2 0 279.428 2.885 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638067293 384388870 /nfs/dbraw/zinc/38/88/70/384388870.db2.gz REHIZQMXZQNMJP-OAHLLOKOSA-N 2 0 287.407 2.514 20 0 CFADRP CO[C@](C)(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000638124679 384437790 /nfs/dbraw/zinc/43/77/90/384437790.db2.gz UKFSWOKRDSCYBV-DOTOQJQBSA-N 2 0 280.456 2.609 20 0 CFADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCOC3)C2)cc1 ZINC000289413773 197335748 /nfs/dbraw/zinc/33/57/48/197335748.db2.gz AMFLYMXGTGHDNE-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP CCc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2[nH+]1 ZINC000643031774 384480818 /nfs/dbraw/zinc/48/08/18/384480818.db2.gz XXJNKXLSVXTXLY-SUMWQHHRSA-N 2 0 281.403 2.985 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000643056217 384486867 /nfs/dbraw/zinc/48/68/67/384486867.db2.gz CYKCJWHCTDTWMW-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000643057490 384487550 /nfs/dbraw/zinc/48/75/50/384487550.db2.gz ARMSJUKICXONFZ-LLVKDONJSA-N 2 0 252.324 2.650 20 0 CFADRP C(c1noc2c1CCCC2)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000643061232 384487622 /nfs/dbraw/zinc/48/76/22/384487622.db2.gz YQWBRQYHERZAJC-OAHLLOKOSA-N 2 0 289.423 2.517 20 0 CFADRP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C[NH+](C)C)c1 ZINC000638258115 384514825 /nfs/dbraw/zinc/51/48/25/384514825.db2.gz XVFWBPKPQFAADK-GDBMZVCRSA-N 2 0 275.440 2.951 20 0 CFADRP CCOC1CC(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000638303985 384545244 /nfs/dbraw/zinc/54/52/44/384545244.db2.gz XSSDOGTWLIUUCN-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000278404356 384560898 /nfs/dbraw/zinc/56/08/98/384560898.db2.gz ODEAKPUXNSOFEG-HNNXBMFYSA-N 2 0 264.438 2.591 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638291663 384537037 /nfs/dbraw/zinc/53/70/37/384537037.db2.gz SDYXLLGJPXTGHQ-OAHLLOKOSA-N 2 0 290.451 2.881 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638337499 384568329 /nfs/dbraw/zinc/56/83/29/384568329.db2.gz TZVMJIGQRYRTMJ-ZDUSSCGKSA-N 2 0 296.480 2.504 20 0 CFADRP CC(C)[C@H](C[NH2+]CCC1CCOCC1)[NH+]1CCCC1 ZINC000638354302 384577665 /nfs/dbraw/zinc/57/76/65/384577665.db2.gz ZKTAGJCCAWDWTO-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@H](C)N1CCCC[C@H]1C)C1CC1 ZINC000638359921 384582761 /nfs/dbraw/zinc/58/27/61/384582761.db2.gz FIYMLBUAEUVFQI-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP Cn1c2ccccc2nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278464781 384585406 /nfs/dbraw/zinc/58/54/06/384585406.db2.gz FVZSSJKTYYTSRI-UHFFFAOYSA-N 2 0 298.434 2.537 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC1(F)F ZINC000638381438 384608123 /nfs/dbraw/zinc/60/81/23/384608123.db2.gz LKABODVJRKEPHX-WFASDCNBSA-N 2 0 298.377 2.760 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000638381067 384608960 /nfs/dbraw/zinc/60/89/60/384608960.db2.gz IJQWJIDJMXYNQY-JKSUJKDBSA-N 2 0 272.436 2.723 20 0 CFADRP COCC1(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)CCC1 ZINC000638390234 384614812 /nfs/dbraw/zinc/61/48/12/384614812.db2.gz IHVOPYZZEJGSNA-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP CO[C@@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000638366586 384592453 /nfs/dbraw/zinc/59/24/53/384592453.db2.gz OZXGPWSOZRFYEV-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000638367749 384593182 /nfs/dbraw/zinc/59/31/82/384593182.db2.gz XVVWUKLXECYKGV-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638366380 384593568 /nfs/dbraw/zinc/59/35/68/384593568.db2.gz NVQLELOYOAZFPO-KFWWJZLASA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@H](C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000638369340 384594519 /nfs/dbraw/zinc/59/45/19/384594519.db2.gz GISVHHYWJIZAKI-BFYDXBDKSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1nnsc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638371247 384596235 /nfs/dbraw/zinc/59/62/35/384596235.db2.gz PBFWTTKSMMMQCQ-BETUJISGSA-N 2 0 296.484 2.694 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638372786 384600144 /nfs/dbraw/zinc/60/01/44/384600144.db2.gz XWXGUCQYWUYIKN-JUVOFCAFSA-N 2 0 290.455 2.544 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000643497750 384663517 /nfs/dbraw/zinc/66/35/17/384663517.db2.gz ZRJZDLNQKDJNCM-MRXNPFEDSA-N 2 0 262.372 2.792 20 0 CFADRP CC(C)C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cccs1 ZINC000268813746 384666722 /nfs/dbraw/zinc/66/67/22/384666722.db2.gz FMFYGRNWVWUMJD-LSDHHAIUSA-N 2 0 296.480 2.882 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268810591 384666767 /nfs/dbraw/zinc/66/67/67/384666767.db2.gz HANLZBYEXGPUMW-SOLBZPMBSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(C2CCCC2)c1 ZINC000643503646 384673268 /nfs/dbraw/zinc/67/32/68/384673268.db2.gz RKCPSUMRJQLNDT-LRVUVFPRSA-N 2 0 276.428 2.919 20 0 CFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H](C)CCCC[NH3+])c2c1 ZINC000643453700 384635425 /nfs/dbraw/zinc/63/54/25/384635425.db2.gz SXFPCSNFNCYUAY-ZDUSSCGKSA-N 2 0 289.423 2.826 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453014 384635741 /nfs/dbraw/zinc/63/57/41/384635741.db2.gz CHMHGWUIIBFFFB-BFHYXJOUSA-N 2 0 295.858 2.882 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000643458241 384639464 /nfs/dbraw/zinc/63/94/64/384639464.db2.gz COYWCXBAYHQRFU-XQQFMLRXSA-N 2 0 250.386 2.862 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)C1CCCC1 ZINC000638423880 384643996 /nfs/dbraw/zinc/64/39/96/384643996.db2.gz BYPADBPEZPBFKC-KRWDZBQOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463628 384644741 /nfs/dbraw/zinc/64/47/41/384644741.db2.gz QSXYGRCVVFHXRG-USXIJHARSA-N 2 0 290.451 2.696 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000643466879 384646618 /nfs/dbraw/zinc/64/66/18/384646618.db2.gz YCUPCHXVBXAOQS-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000643467782 384648367 /nfs/dbraw/zinc/64/83/67/384648367.db2.gz IVRHDLHSACIXTI-NEPJUHHUSA-N 2 0 250.361 2.920 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000268849906 384675544 /nfs/dbraw/zinc/67/55/44/384675544.db2.gz WEOVUPAAMUBHTQ-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643469372 384650172 /nfs/dbraw/zinc/65/01/72/384650172.db2.gz QDIQLUDXWOBQIT-IXDOHACOSA-N 2 0 297.406 2.600 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643477966 384654102 /nfs/dbraw/zinc/65/41/02/384654102.db2.gz IYOAIOHBLMYHKB-WBAXXEDZSA-N 2 0 272.436 2.899 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](COC)Cc1ccccc1 ZINC000268748510 384654747 /nfs/dbraw/zinc/65/47/47/384654747.db2.gz SYXDZBMZIUYPMS-KRWDZBQOSA-N 2 0 278.440 2.566 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccnn1C ZINC000643484297 384656899 /nfs/dbraw/zinc/65/68/99/384656899.db2.gz QRRZPSILLKAHQC-BBWFWOEESA-N 2 0 298.434 2.894 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000643493737 384661372 /nfs/dbraw/zinc/66/13/72/384661372.db2.gz GFWRFLZYNIZXQI-RLFYNMQTSA-N 2 0 290.451 2.994 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000495079525 542393220 /nfs/dbraw/zinc/39/32/20/542393220.db2.gz AMWGKGBAPFDMNC-UHFFFAOYSA-N 2 0 279.453 2.794 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643546880 384724330 /nfs/dbraw/zinc/72/43/30/384724330.db2.gz WBZXPOUBVUZLAL-YOEHRIQHSA-N 2 0 286.419 2.947 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000643544915 384724878 /nfs/dbraw/zinc/72/48/78/384724878.db2.gz QYYGQBHQQNMAFF-PBNGXKPNSA-N 2 0 292.467 2.687 20 0 CFADRP [NH3+][C@@H](CN[C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000643509071 384681004 /nfs/dbraw/zinc/68/10/04/384681004.db2.gz IVMIBWPTTMBGPG-JKSUJKDBSA-N 2 0 267.376 2.749 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000268877396 384682332 /nfs/dbraw/zinc/68/23/32/384682332.db2.gz DXAQYPGTBLSVQN-HNNXBMFYSA-N 2 0 292.423 2.840 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000643518511 384684404 /nfs/dbraw/zinc/68/44/04/384684404.db2.gz REVXWHFWKJBKJE-OCCSQVGLSA-N 2 0 252.427 2.658 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268878716 384684950 /nfs/dbraw/zinc/68/49/50/384684950.db2.gz MBQAUUKLFUKQEM-NXHRZFHOSA-N 2 0 290.451 2.648 20 0 CFADRP C1CC2(C1)C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC[NH2+]2 ZINC000643547790 384726545 /nfs/dbraw/zinc/72/65/45/384726545.db2.gz IXXXQVIBPHYMEP-YYIAUSFCSA-N 2 0 291.483 2.562 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000643521978 384687157 /nfs/dbraw/zinc/68/71/57/384687157.db2.gz GCICAJVQRHSLGS-ZYHUDNBSSA-N 2 0 267.442 2.807 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cnn1C(C)C ZINC000643521758 384687419 /nfs/dbraw/zinc/68/74/19/384687419.db2.gz BGIWPEDNVWYUTK-JSGCOSHPSA-N 2 0 264.417 2.565 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643522349 384688259 /nfs/dbraw/zinc/68/82/59/384688259.db2.gz LYNGXSHUFYFVRD-BBRMVZONSA-N 2 0 260.381 2.501 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000643522592 384688531 /nfs/dbraw/zinc/68/85/31/384688531.db2.gz PTPKXSJOCVHJCB-GOEBONIOSA-N 2 0 262.397 2.878 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522656 384688670 /nfs/dbraw/zinc/68/86/70/384688670.db2.gz QZUBVZQIFDTRBN-ZWKOTPCHSA-N 2 0 290.451 2.960 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000643522035 384689622 /nfs/dbraw/zinc/68/96/22/384689622.db2.gz GRCORQXUWHQOIQ-GXTWGEPZSA-N 2 0 279.403 2.684 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000643522521 384689747 /nfs/dbraw/zinc/68/97/47/384689747.db2.gz OKRGBTNSVPIBPY-HZPDHXFCSA-N 2 0 259.397 2.655 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523502 384691769 /nfs/dbraw/zinc/69/17/69/384691769.db2.gz XCBVDWOEKYLREI-CYBMUJFWSA-N 2 0 270.376 2.994 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000643524150 384691940 /nfs/dbraw/zinc/69/19/40/384691940.db2.gz PNJOXTPUCGYONU-UEKVPHQBSA-N 2 0 266.335 2.812 20 0 CFADRP C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643525373 384693129 /nfs/dbraw/zinc/69/31/29/384693129.db2.gz BISVKIYXQWSAPQ-IAOVAPTHSA-N 2 0 258.409 2.664 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C12CCCC2 ZINC000643549003 384726791 /nfs/dbraw/zinc/72/67/91/384726791.db2.gz YXVKIPVNORXNPU-ARFHVFGLSA-N 2 0 292.467 2.989 20 0 CFADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528936 384700443 /nfs/dbraw/zinc/70/04/43/384700443.db2.gz RBDPQYWMMRHDNN-YJQVQVLHSA-N 2 0 276.424 2.899 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000643533964 384705368 /nfs/dbraw/zinc/70/53/68/384705368.db2.gz IVHTXSBZNFYDCU-ABAIWWIYSA-N 2 0 278.371 2.627 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000643533967 384705807 /nfs/dbraw/zinc/70/58/07/384705807.db2.gz IVHTXSBZNFYDCU-XHDPSFHLSA-N 2 0 278.371 2.627 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000643533823 384705992 /nfs/dbraw/zinc/70/59/92/384705992.db2.gz FTAWEZQCKZHGPY-AAEUAGOBSA-N 2 0 250.411 2.931 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000643533236 384706135 /nfs/dbraw/zinc/70/61/35/384706135.db2.gz WWKRJCUYRJIJML-GJZGRUSLSA-N 2 0 291.439 2.819 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534829 384707048 /nfs/dbraw/zinc/70/70/48/384707048.db2.gz DJNHAOSUSBQGRC-KKUMJFAQSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534510 384707353 /nfs/dbraw/zinc/70/73/53/384707353.db2.gz WKCHHCDGKDXSMA-HZPDHXFCSA-N 2 0 256.393 2.714 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534680 384707675 /nfs/dbraw/zinc/70/76/75/384707675.db2.gz ZZZUDNZBWCRQKZ-XJKSGUPXSA-N 2 0 274.408 2.796 20 0 CFADRP CC(C)C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534901 384707887 /nfs/dbraw/zinc/70/78/87/384707887.db2.gz FMGHFABSFMEQAW-HZPDHXFCSA-N 2 0 273.424 2.901 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534570 384708017 /nfs/dbraw/zinc/70/80/17/384708017.db2.gz YBWQIYAWUXYJFY-OCCSQVGLSA-N 2 0 262.422 2.857 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535777 384709045 /nfs/dbraw/zinc/70/90/45/384709045.db2.gz JENGECBXHYJVBH-GBJTYRQASA-N 2 0 250.430 2.933 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1C(C)(C)C ZINC000643535139 384709062 /nfs/dbraw/zinc/70/90/62/384709062.db2.gz JMVBMZYUEDPBNE-IUODEOHRSA-N 2 0 290.455 2.739 20 0 CFADRP c1ccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643535443 384709088 /nfs/dbraw/zinc/70/90/88/384709088.db2.gz MNRORNOUHSXFDL-HOTGVXAUSA-N 2 0 256.393 2.869 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000643535652 384709269 /nfs/dbraw/zinc/70/92/69/384709269.db2.gz HGMVKYAFGBZSCB-KFWWJZLASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(F)c1F ZINC000643535211 384709363 /nfs/dbraw/zinc/70/93/63/384709363.db2.gz KMVVWLDJGUHVRV-GXFFZTMASA-N 2 0 266.335 2.758 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000643535820 384709618 /nfs/dbraw/zinc/70/96/18/384709618.db2.gz JSXXMJXZCFUSPL-GJZGRUSLSA-N 2 0 294.826 2.759 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000269009276 384710524 /nfs/dbraw/zinc/71/05/24/384710524.db2.gz MAMAPHGWYFNUER-LQAWEQHXSA-N 2 0 274.383 2.885 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536322 384711042 /nfs/dbraw/zinc/71/10/42/384711042.db2.gz SVHLUNUWLKBVLV-HUUCEWRRSA-N 2 0 259.397 2.510 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536571 384712196 /nfs/dbraw/zinc/71/21/96/384712196.db2.gz SDSCTHIZIPKYKC-GOEBONIOSA-N 2 0 290.382 2.553 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643547421 384727708 /nfs/dbraw/zinc/72/77/08/384727708.db2.gz FFXSGXGGZQDJOB-GJZGRUSLSA-N 2 0 259.397 2.797 20 0 CFADRP COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000269123756 384728166 /nfs/dbraw/zinc/72/81/66/384728166.db2.gz AYTZIWUSMKABFL-GDBMZVCRSA-N 2 0 292.398 2.750 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000643541133 384720446 /nfs/dbraw/zinc/72/04/46/384720446.db2.gz OQRRTMRZWOYSMD-LYRGGWFBSA-N 2 0 277.387 2.779 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCCC13CCOCC3)CC[NH2+]2 ZINC000643548122 384727856 /nfs/dbraw/zinc/72/78/56/384727856.db2.gz MRVDIPFAJPXJQI-LSDHHAIUSA-N 2 0 278.440 2.600 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000643543794 384721962 /nfs/dbraw/zinc/72/19/62/384721962.db2.gz WPWOATLZWIPLHA-GDBMZVCRSA-N 2 0 264.413 2.607 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000643542818 384722343 /nfs/dbraw/zinc/72/23/43/384722343.db2.gz FRITUEYWOKAQIY-XOKHGSTOSA-N 2 0 258.409 2.651 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000643543790 384722664 /nfs/dbraw/zinc/72/26/64/384722664.db2.gz WDUXFAGTECRFOI-BLLLJJGKSA-N 2 0 272.396 2.849 20 0 CFADRP CN(Cc1ccnn1-c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000279820291 384773934 /nfs/dbraw/zinc/77/39/34/384773934.db2.gz LZBHJUVWOOLYAP-INIZCTEOSA-N 2 0 298.434 2.646 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000643549112 384729791 /nfs/dbraw/zinc/72/97/91/384729791.db2.gz BAZCWSGXIQBMDW-YDZRNGNQSA-N 2 0 284.447 2.912 20 0 CFADRP C[C@H](C[NH2+]C[C@H](C)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000638548477 384737451 /nfs/dbraw/zinc/73/74/51/384737451.db2.gz BXYVGCMVLNJYMU-SJORKVTESA-N 2 0 295.515 2.676 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423254398 533087809 /nfs/dbraw/zinc/08/78/09/533087809.db2.gz XYCXIKIRTYHXNO-WFASDCNBSA-N 2 0 282.815 2.617 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000638566546 384746946 /nfs/dbraw/zinc/74/69/46/384746946.db2.gz LPEOMNRAARDACF-YNEHKIRRSA-N 2 0 260.372 2.740 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638566737 384748032 /nfs/dbraw/zinc/74/80/32/384748032.db2.gz ONTQHTNBJQURHE-LVQVYYBASA-N 2 0 250.430 2.743 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000638582494 384755857 /nfs/dbraw/zinc/75/58/57/384755857.db2.gz OULBPLQDLKVSBE-KRWDZBQOSA-N 2 0 258.409 2.611 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000638587080 384760715 /nfs/dbraw/zinc/76/07/15/384760715.db2.gz AKSYLUQLDCODDN-CVEARBPZSA-N 2 0 272.436 2.723 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000638587081 384760914 /nfs/dbraw/zinc/76/09/14/384760914.db2.gz AKSYLUQLDCODDN-HOTGVXAUSA-N 2 0 272.436 2.723 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3[nH]ccc3c2)C1 ZINC000643886613 384781883 /nfs/dbraw/zinc/78/18/83/384781883.db2.gz JHHIOTUTVGOWSA-HNNXBMFYSA-N 2 0 271.408 2.942 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1noc3c1CCCC3)CC[NH2+]CC2 ZINC000643895277 384784752 /nfs/dbraw/zinc/78/47/52/384784752.db2.gz CSZQXUUHWTVVNU-CYBMUJFWSA-N 2 0 289.423 2.517 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000423121367 533097872 /nfs/dbraw/zinc/09/78/72/533097872.db2.gz IMZUVCNTLCUMQL-WDMOLILDSA-N 2 0 270.804 2.743 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000342703844 285144025 /nfs/dbraw/zinc/14/40/25/285144025.db2.gz QRCTUFYYWBNACW-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000644515733 384912978 /nfs/dbraw/zinc/91/29/78/384912978.db2.gz XBFCQHVQTOJZLB-OAHLLOKOSA-N 2 0 298.430 2.886 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000638787831 384918912 /nfs/dbraw/zinc/91/89/12/384918912.db2.gz JJLUFWUQSDNZNA-NVXWUHKLSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)(C[NH2+]C[C@@H](O)CC1CCCC1)C[NH+]1CCCC1 ZINC000644631988 384969218 /nfs/dbraw/zinc/96/92/18/384969218.db2.gz MPIUHJVYBZKKGM-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP COc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)sn1 ZINC000638851708 384987077 /nfs/dbraw/zinc/98/70/77/384987077.db2.gz PVLFHBYGTOPHBD-UHFFFAOYSA-N 2 0 291.420 2.503 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000270183867 385005808 /nfs/dbraw/zinc/00/58/08/385005808.db2.gz BWBYSYVRKVRMJB-MRXNPFEDSA-N 2 0 276.399 2.989 20 0 CFADRP Cc1scc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1C ZINC000638918475 385030365 /nfs/dbraw/zinc/03/03/65/385030365.db2.gz RCGRRDALXVMDMT-DZGCQCFKSA-N 2 0 264.438 2.891 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000639039087 385111971 /nfs/dbraw/zinc/11/19/71/385111971.db2.gz ZXWHBUSMSVECEI-AVGNSLFASA-N 2 0 260.372 2.884 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000639039086 385112301 /nfs/dbraw/zinc/11/23/01/385112301.db2.gz ZXWHBUSMSVECEI-AGIUHOORSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000270487644 385120319 /nfs/dbraw/zinc/12/03/19/385120319.db2.gz OUECYFJTWVQXNM-HOCLYGCPSA-N 2 0 262.372 2.742 20 0 CFADRP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639047727 385123486 /nfs/dbraw/zinc/12/34/86/385123486.db2.gz QBHRDVSFHAHAEU-NSHDSACASA-N 2 0 296.377 2.542 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CC1(F)F ZINC000639047749 385123864 /nfs/dbraw/zinc/12/38/64/385123864.db2.gz UVEJUIOALRYYKU-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000644843051 385100135 /nfs/dbraw/zinc/10/01/35/385100135.db2.gz KIQODPGNYSAVQO-CRAIPNDOSA-N 2 0 286.419 2.580 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C1 ZINC000645095011 385182625 /nfs/dbraw/zinc/18/26/25/385182625.db2.gz KEZAHEBAGUHGDU-QZTJIDSGSA-N 2 0 291.483 2.587 20 0 CFADRP C[NH+](C)[C@H]1CCCN(Cc2ccc3nccnc3c2)CC1 ZINC000639104412 385196255 /nfs/dbraw/zinc/19/62/55/385196255.db2.gz ORZZHWGTJXZZRJ-HNNXBMFYSA-N 2 0 284.407 2.546 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000639169998 385273892 /nfs/dbraw/zinc/27/38/92/385273892.db2.gz NKNNSTXMPZVNCH-OAHLLOKOSA-N 2 0 285.435 2.998 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCSCC2)C1 ZINC000639180828 385293414 /nfs/dbraw/zinc/29/34/14/385293414.db2.gz ZJSVELPXKHUGCJ-CABCVRRESA-N 2 0 268.470 2.546 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282363799 385294399 /nfs/dbraw/zinc/29/43/99/385294399.db2.gz XOHBYMLNIDJCFO-GFCCVEGCSA-N 2 0 292.452 2.578 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271072873 385329144 /nfs/dbraw/zinc/32/91/44/385329144.db2.gz FTMZBZZDOWMQHT-GOEBONIOSA-N 2 0 288.435 2.590 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000639210141 385332986 /nfs/dbraw/zinc/33/29/86/385332986.db2.gz IMEUIQLTZRVBGG-QWHCGFSZSA-N 2 0 260.372 2.886 20 0 CFADRP OCc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000639211236 385334768 /nfs/dbraw/zinc/33/47/68/385334768.db2.gz SADJAVXZNCOFLO-UHFFFAOYSA-N 2 0 276.424 2.535 20 0 CFADRP CO[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000639257036 385386827 /nfs/dbraw/zinc/38/68/27/385386827.db2.gz PXTXZULANKWWGG-GOSISDBHSA-N 2 0 295.386 2.682 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)ccc1F ZINC000423359524 533118035 /nfs/dbraw/zinc/11/80/35/533118035.db2.gz KTQUSQOTZFWPLQ-DGCLKSJQSA-N 2 0 266.360 2.627 20 0 CFADRP CCCN1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639328229 385455198 /nfs/dbraw/zinc/45/51/98/385455198.db2.gz BLHYCSPPUUINCO-IRXDYDNUSA-N 2 0 287.451 2.587 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639307279 385435044 /nfs/dbraw/zinc/43/50/44/385435044.db2.gz SXKVAHSARNRNAF-CYBMUJFWSA-N 2 0 270.461 2.636 20 0 CFADRP c1cc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)ccn1 ZINC000639310753 385437153 /nfs/dbraw/zinc/43/71/53/385437153.db2.gz GYLARWJGCXPCCA-REPLKXPHSA-N 2 0 299.462 2.929 20 0 CFADRP C[C@H]([NH2+]CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272241297 385484485 /nfs/dbraw/zinc/48/44/85/385484485.db2.gz WPGVMYIVGGRCSD-WMLDXEAASA-N 2 0 258.409 2.897 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CC1(F)F ZINC000639335050 385461351 /nfs/dbraw/zinc/46/13/51/385461351.db2.gz LYLDFOJSIMXYCK-BXUZGUMPSA-N 2 0 272.383 2.742 20 0 CFADRP COCC1(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000639374830 385492402 /nfs/dbraw/zinc/49/24/02/385492402.db2.gz KVPBTRIGLUGCJZ-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000639376030 385493176 /nfs/dbraw/zinc/49/31/76/385493176.db2.gz QAUBKHJHNRQGNI-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000639376033 385493263 /nfs/dbraw/zinc/49/32/63/385493263.db2.gz QAUBKHJHNRQGNI-LSDHHAIUSA-N 2 0 250.430 2.983 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](CC(C)C)OC)CC1 ZINC000639378355 385495439 /nfs/dbraw/zinc/49/54/39/385495439.db2.gz PADZXWXMHUROTQ-OAHLLOKOSA-N 2 0 270.461 2.854 20 0 CFADRP CN(C/C=C/c1ccc(F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395549 385513287 /nfs/dbraw/zinc/51/32/87/385513287.db2.gz BVCLFOODZQBRKV-YATRRXNKSA-N 2 0 274.383 2.865 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000639450829 385537129 /nfs/dbraw/zinc/53/71/29/385537129.db2.gz BPNOXAXQYCASRA-FUHWJXTLSA-N 2 0 294.483 2.999 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639454892 385539890 /nfs/dbraw/zinc/53/98/90/385539890.db2.gz JQUZWKFSEQRMJS-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272610850 385575867 /nfs/dbraw/zinc/57/58/67/385575867.db2.gz ZWPKPPYMNHVRCI-JQHSSLGASA-N 2 0 288.435 2.666 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCOC2)C[C@@H]1CCC[NH+](C)C1 ZINC000639494841 385559309 /nfs/dbraw/zinc/55/93/09/385559309.db2.gz MZAOSZXOIHJZNY-OAHLLOKOSA-N 2 0 288.435 2.533 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000639497442 385561677 /nfs/dbraw/zinc/56/16/77/385561677.db2.gz KYBCRTXDQBQIFO-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP COCC1(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000423140422 533130122 /nfs/dbraw/zinc/13/01/22/533130122.db2.gz YEPIXQHFZUKDFM-DOTOQJQBSA-N 2 0 290.451 2.741 20 0 CFADRP CC[N@@H+](Cc1c(C)cc(C)nc1C)C[C@H](C)OC ZINC000639651722 385636240 /nfs/dbraw/zinc/63/62/40/385636240.db2.gz GJUFLTGBDPYJSJ-ZDUSSCGKSA-N 2 0 250.386 2.864 20 0 CFADRP Cc1cc(C)c(CN2CCC[C@H]([NH+](C)C)CC2)c(C)n1 ZINC000639612266 385611326 /nfs/dbraw/zinc/61/13/26/385611326.db2.gz JRQIXIAHDPHFFY-INIZCTEOSA-N 2 0 275.440 2.923 20 0 CFADRP c1c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)onc1C1CC1 ZINC000639684820 385660429 /nfs/dbraw/zinc/66/04/29/385660429.db2.gz ZXTBYYCRYZGZOV-UHFFFAOYSA-N 2 0 298.390 2.659 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760343 385699692 /nfs/dbraw/zinc/69/96/92/385699692.db2.gz VQQYOJGYUHGXSL-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760346 385700090 /nfs/dbraw/zinc/70/00/90/385700090.db2.gz VQQYOJGYUHGXSL-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP Cc1nccn1CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000287089867 385778294 /nfs/dbraw/zinc/77/82/94/385778294.db2.gz WZGNDHFMXWAELR-HNNXBMFYSA-N 2 0 293.798 2.558 20 0 CFADRP CCC(CC)C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288616574 197127922 /nfs/dbraw/zinc/12/79/22/197127922.db2.gz RASINVIZHMIRDI-UHFFFAOYSA-N 2 0 293.455 2.938 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000639984426 385805773 /nfs/dbraw/zinc/80/57/73/385805773.db2.gz VETAICNSYZCQTN-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000122857556 413009351 /nfs/dbraw/zinc/00/93/51/413009351.db2.gz LUGSBRMXSMWFQE-WBMJQRKESA-N 2 0 287.382 2.933 20 0 CFADRP Cc1ncc([C@@H](C)NCC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000639995362 385812555 /nfs/dbraw/zinc/81/25/55/385812555.db2.gz UWYIGEGRFXIPSM-YPMHNXCESA-N 2 0 267.442 2.977 20 0 CFADRP COc1cc2c(c(C[NH2+][C@H](C)CCCC[NH3+])c1)O[C@@H](C)C2 ZINC000415020350 533150312 /nfs/dbraw/zinc/15/03/12/533150312.db2.gz XGUYTKQNUZFYQG-OLZOCXBDSA-N 2 0 292.423 2.626 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000274789951 385870727 /nfs/dbraw/zinc/87/07/27/385870727.db2.gz NLQXJHGASPQDCZ-RDJZCZTQSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000274789950 385871271 /nfs/dbraw/zinc/87/12/71/385871271.db2.gz NLQXJHGASPQDCZ-NVXWUHKLSA-N 2 0 290.451 2.648 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423285045 533162668 /nfs/dbraw/zinc/16/26/68/533162668.db2.gz ZFBUWQSNTUKPIQ-WBMJQRKESA-N 2 0 292.398 2.801 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000247046621 285234825 /nfs/dbraw/zinc/23/48/25/285234825.db2.gz NBAMCDMUXYHRNE-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCCOc2ccccc2)CC[NH2+]1 ZINC000414697977 297396026 /nfs/dbraw/zinc/39/60/26/297396026.db2.gz HGRSXHUCMQVHBT-HZPDHXFCSA-N 2 0 276.424 2.775 20 0 CFADRP OCC[NH+]1CCC(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352823221 285258125 /nfs/dbraw/zinc/25/81/25/285258125.db2.gz NCDSAKLCGXOXNR-UHFFFAOYSA-N 2 0 294.483 2.783 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1ccc2c(N)cc[nH+]c2c1 ZINC001168768745 781977741 /nfs/dbraw/zinc/97/77/41/781977741.db2.gz HJGFFAUOJYLXOA-UHFFFAOYSA-N 2 0 272.396 2.817 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCCC1 ZINC000422892601 533212298 /nfs/dbraw/zinc/21/22/98/533212298.db2.gz YWGNFEGXLHZJQX-LSDHHAIUSA-N 2 0 268.445 2.690 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000681643451 542472878 /nfs/dbraw/zinc/47/28/78/542472878.db2.gz OAHZPKMYBUXFPA-GOSISDBHSA-N 2 0 279.387 2.891 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cccc(C)n2)[C@H](C)C1 ZINC000517736000 259999440 /nfs/dbraw/zinc/99/94/40/259999440.db2.gz FPLQVHBWGZDICL-RHSMWYFYSA-N 2 0 275.440 2.595 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1Cl ZINC000423456473 533221800 /nfs/dbraw/zinc/22/18/00/533221800.db2.gz NRNLKFFZZLFLRW-NXEZZACHSA-N 2 0 271.792 2.522 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC000682029386 542507671 /nfs/dbraw/zinc/50/76/71/542507671.db2.gz VZOQFONCIPXSQE-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@@H](C)[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000187707228 260042492 /nfs/dbraw/zinc/04/24/92/260042492.db2.gz GIKWSNAZUCUDLP-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP COC[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158855525 285339994 /nfs/dbraw/zinc/33/99/94/285339994.db2.gz GZXDZDFEEXXJFG-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000020200470 542570936 /nfs/dbraw/zinc/57/09/36/542570936.db2.gz ZETMWRJWFCFMPK-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200460 542571098 /nfs/dbraw/zinc/57/10/98/542571098.db2.gz RHINIAINRVMYAB-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000131981782 285352871 /nfs/dbraw/zinc/35/28/71/285352871.db2.gz QMNXURCNCNOGTI-YCPHGPKFSA-N 2 0 268.445 2.654 20 0 CFADRP C1=C(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[NH2+]C1 ZINC001243109085 781992783 /nfs/dbraw/zinc/99/27/83/781992783.db2.gz WHTMSNOGMTWTRW-UHFFFAOYSA-N 2 0 291.398 2.627 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(SC)CCC2)[C@H](C)C1 ZINC000356118775 285369589 /nfs/dbraw/zinc/36/95/89/285369589.db2.gz YECIOGVNPJUYEU-ZIAGYGMSSA-N 2 0 270.486 2.934 20 0 CFADRP CCO[C@@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000682673718 542577878 /nfs/dbraw/zinc/57/78/78/542577878.db2.gz TTXUIASOBMPVEL-MRXNPFEDSA-N 2 0 262.397 2.824 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422741726 533339442 /nfs/dbraw/zinc/33/94/42/533339442.db2.gz QGGSBUSMXCNYFK-QAPCUYQASA-N 2 0 287.451 2.776 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1OCCc2sccc21 ZINC000423131011 533341222 /nfs/dbraw/zinc/34/12/22/533341222.db2.gz NFZMMZPUHGCHJQ-CXDFEOFXSA-N 2 0 292.448 2.623 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2c1 ZINC000415027015 533357192 /nfs/dbraw/zinc/35/71/92/533357192.db2.gz APYCTACGUNFTLC-AAEUAGOBSA-N 2 0 274.364 2.658 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423331673 533366362 /nfs/dbraw/zinc/36/63/62/533366362.db2.gz CRAKNXLPNRPRMN-LLVKDONJSA-N 2 0 282.334 2.858 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1Cl ZINC000423345936 533366562 /nfs/dbraw/zinc/36/65/62/533366562.db2.gz OPZQCZOPXIXRFS-LLVKDONJSA-N 2 0 250.773 2.910 20 0 CFADRP C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422827669 533377385 /nfs/dbraw/zinc/37/73/85/533377385.db2.gz DZJATKMHUHSPJT-CJNGLKHVSA-N 2 0 280.387 2.715 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422873412 533377933 /nfs/dbraw/zinc/37/79/33/533377933.db2.gz ADUFIGPXLKHKQK-OAHLLOKOSA-N 2 0 290.455 2.657 20 0 CFADRP C[C@@H]([NH2+]CCCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414822617 533379201 /nfs/dbraw/zinc/37/92/01/533379201.db2.gz NHDHLBWADKNIFT-HZPDHXFCSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)COC2 ZINC000423532555 533384777 /nfs/dbraw/zinc/38/47/77/533384777.db2.gz VIXVKRGXCXYULM-GFCCVEGCSA-N 2 0 260.381 2.510 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422776380 533385175 /nfs/dbraw/zinc/38/51/75/533385175.db2.gz AKAXCWKFRGRUKU-HZPDHXFCSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422782589 533385998 /nfs/dbraw/zinc/38/59/98/533385998.db2.gz JUFLESJCDXOANG-INMHGKMJSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H](NC(C)(C)C[NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000422725327 533322709 /nfs/dbraw/zinc/32/27/09/533322709.db2.gz BCHPDBJSGANHAN-LSDHHAIUSA-N 2 0 277.456 2.833 20 0 CFADRP C[C@@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422711399 533387063 /nfs/dbraw/zinc/38/70/63/533387063.db2.gz NBAVGKWOTTZZLA-AEFFLSMTSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422739938 533444823 /nfs/dbraw/zinc/44/48/23/533444823.db2.gz AUGGVKMSAJASQC-CXAGYDPISA-N 2 0 293.430 2.508 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)C1C[NH2+]C1 ZINC000422950205 533446786 /nfs/dbraw/zinc/44/67/86/533446786.db2.gz XJDPHLHGBRYCRR-CYBMUJFWSA-N 2 0 274.408 2.706 20 0 CFADRP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422811947 533453699 /nfs/dbraw/zinc/45/36/99/533453699.db2.gz VLRCZXMTCNXMLD-QAPCUYQASA-N 2 0 287.451 2.513 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423241630 533415622 /nfs/dbraw/zinc/41/56/22/533415622.db2.gz DMSJSCHJRVUDHC-KBPBESRZSA-N 2 0 262.397 2.654 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423241632 533415936 /nfs/dbraw/zinc/41/59/36/533415936.db2.gz DMSJSCHJRVUDHC-UONOGXRCSA-N 2 0 262.397 2.654 20 0 CFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423101631 533418928 /nfs/dbraw/zinc/41/89/28/533418928.db2.gz WDYBUHVIXACJSL-PVAVHDDUSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423217427 533419173 /nfs/dbraw/zinc/41/91/73/533419173.db2.gz UDTVITAZVZIWTF-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP COc1ccc(C2CCC([NH2+]CC3C[NH2+]C3)CC2)cc1 ZINC000423305784 533430573 /nfs/dbraw/zinc/43/05/73/533430573.db2.gz RNBRSXAPKHOBHC-UHFFFAOYSA-N 2 0 274.408 2.530 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000423123553 533435785 /nfs/dbraw/zinc/43/57/85/533435785.db2.gz MUDDGUKNGKBHCY-IRXDYDNUSA-N 2 0 288.435 2.976 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H](C)CCCC[NH3+])CC2)c1 ZINC000423130794 533437005 /nfs/dbraw/zinc/43/70/05/533437005.db2.gz ZAXPDALFMOJRSQ-CQSZACIVSA-N 2 0 276.424 2.834 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000422827357 533523816 /nfs/dbraw/zinc/52/38/16/533523816.db2.gz MXPJSHPJJPUZEY-MEBBXXQBSA-N 2 0 296.361 2.863 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414828503 533512407 /nfs/dbraw/zinc/51/24/07/533512407.db2.gz ZZQLWUCLVAVPSD-YQQAZPJKSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000414886359 533580426 /nfs/dbraw/zinc/58/04/26/533580426.db2.gz PTQZCHATXMAKCX-LBPRGKRZSA-N 2 0 273.355 2.715 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414874405 533580541 /nfs/dbraw/zinc/58/05/41/533580541.db2.gz AYEBQTHZZQDJBG-ZDUSSCGKSA-N 2 0 255.365 2.576 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422886997 533537962 /nfs/dbraw/zinc/53/79/62/533537962.db2.gz AKYWSAABEVEHQO-GOEBONIOSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc2ccccc2n1 ZINC000422776260 533538247 /nfs/dbraw/zinc/53/82/47/533538247.db2.gz CLNWPWBPCZXFIV-AWEZNQCLSA-N 2 0 271.408 2.884 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423238358 533540883 /nfs/dbraw/zinc/54/08/83/533540883.db2.gz ABCIDZVBEVPXPW-RDTXWAMCSA-N 2 0 288.435 2.606 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423512555 533541595 /nfs/dbraw/zinc/54/15/95/533541595.db2.gz OORQQRBLACKTDS-GOEBONIOSA-N 3 0 263.429 2.574 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423455025 533554726 /nfs/dbraw/zinc/55/47/26/533554726.db2.gz MCZVDCLZMXXGKF-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414825817 533608287 /nfs/dbraw/zinc/60/82/87/533608287.db2.gz HUARFBPOECUSRI-JFIYKMOQSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc2cccnc12 ZINC000427103629 533628371 /nfs/dbraw/zinc/62/83/71/533628371.db2.gz KXWJLLBFQSLVIT-DLBZAZTESA-N 2 0 281.403 2.727 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422924306 533658210 /nfs/dbraw/zinc/65/82/10/533658210.db2.gz UEFITDCIBRXJOI-RHSMWYFYSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423314406 533653217 /nfs/dbraw/zinc/65/32/17/533653217.db2.gz HBJSOCPRDXLANW-ZUZCIYMTSA-N 2 0 268.351 2.613 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423342981 533654392 /nfs/dbraw/zinc/65/43/92/533654392.db2.gz LFTJCPMUVWMVFR-ZDUSSCGKSA-N 2 0 262.372 2.656 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835874 533654968 /nfs/dbraw/zinc/65/49/68/533654968.db2.gz RZXMSZOFKKMQLC-DZGCQCFKSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423162713 533661286 /nfs/dbraw/zinc/66/12/86/533661286.db2.gz LSZQXZKADTTYDT-ZFWWWQNUSA-N 2 0 250.430 2.935 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2[nH]nc3ccccc32)CC1 ZINC000682782732 542592136 /nfs/dbraw/zinc/59/21/36/542592136.db2.gz WHEWQMWOLGIZGQ-UHFFFAOYSA-N 2 0 284.407 2.623 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000342048495 130220536 /nfs/dbraw/zinc/22/05/36/130220536.db2.gz YMRJUPPXKPCHOK-OAHLLOKOSA-N 2 0 286.423 2.865 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000342048494 130221356 /nfs/dbraw/zinc/22/13/56/130221356.db2.gz YMRJUPPXKPCHOK-HNNXBMFYSA-N 2 0 286.423 2.865 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342099535 130261055 /nfs/dbraw/zinc/26/10/55/130261055.db2.gz JTIVUKWZMCCLBU-GVDBMIGSSA-N 2 0 288.435 2.823 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342105220 130264792 /nfs/dbraw/zinc/26/47/92/130264792.db2.gz OBEXARJHVSWUBI-YESZJQIVSA-N 2 0 258.409 2.597 20 0 CFADRP FC(F)[C@H]1C[C@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000342185261 130320322 /nfs/dbraw/zinc/32/03/22/130320322.db2.gz CFGJWLMFFAWDDM-WDEREUQCSA-N 2 0 269.320 2.677 20 0 CFADRP Cc1[nH+]ccc(N(C)CCN2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000355679736 130333283 /nfs/dbraw/zinc/33/32/83/130333283.db2.gz XFRKLGKUPVSWES-VXGBXAGGSA-N 2 0 297.830 2.589 20 0 CFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000355683601 130334428 /nfs/dbraw/zinc/33/44/28/130334428.db2.gz BONHPVFUXFDNCH-OAHLLOKOSA-N 2 0 298.390 2.890 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355910556 130352454 /nfs/dbraw/zinc/35/24/54/130352454.db2.gz CREOTVCQILLNKU-MRXNPFEDSA-N 2 0 299.503 2.730 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000356190741 130384989 /nfs/dbraw/zinc/38/49/89/130384989.db2.gz RKFKBCRATOWKKR-CHWSQXEVSA-N 2 0 256.459 2.735 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000683227243 542656245 /nfs/dbraw/zinc/65/62/45/542656245.db2.gz RGMLXTBHTGFIFU-INIZCTEOSA-N 2 0 275.440 2.669 20 0 CFADRP COC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CC1 ZINC000164652803 542708568 /nfs/dbraw/zinc/70/85/68/542708568.db2.gz XNJKCBXDPBIRQP-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926874 542745656 /nfs/dbraw/zinc/74/56/56/542745656.db2.gz IJDDHCOQTMMUKY-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000684111651 542766802 /nfs/dbraw/zinc/76/68/02/542766802.db2.gz AWLJUJCAJCWHMO-HOTGVXAUSA-N 2 0 292.471 2.766 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CC1 ZINC000422924572 285522739 /nfs/dbraw/zinc/52/27/39/285522739.db2.gz ZAUIPAXIEQDOKS-NVXWUHKLSA-N 2 0 272.392 2.632 20 0 CFADRP CC(C)([NH3+])CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000178705787 393447507 /nfs/dbraw/zinc/44/75/07/393447507.db2.gz BBPTXRICHGAUFQ-UHFFFAOYSA-N 2 0 289.423 2.738 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCNc1cc(NCC2CC2)ncn1 ZINC000301838077 393478929 /nfs/dbraw/zinc/47/89/29/393478929.db2.gz WMCYGKBMLAJAPV-ZDUSSCGKSA-N 2 0 289.427 2.585 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022154806 393487810 /nfs/dbraw/zinc/48/78/10/393487810.db2.gz KYVBRNIFRQEUPU-UHFFFAOYSA-N 2 0 291.439 2.986 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000181745770 393500152 /nfs/dbraw/zinc/50/01/52/393500152.db2.gz SJPJWVODIVANIQ-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)C[NH+](C)C ZINC000310179028 393518960 /nfs/dbraw/zinc/51/89/60/393518960.db2.gz VVYFMSKWNZIQIU-QWRGUYRKSA-N 2 0 254.340 2.895 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000311667899 393520049 /nfs/dbraw/zinc/52/00/49/393520049.db2.gz OWGJIBXHBWWMBJ-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000314157121 393525255 /nfs/dbraw/zinc/52/52/55/393525255.db2.gz JJQYBECFIUGWSN-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000037649043 393533759 /nfs/dbraw/zinc/53/37/59/393533759.db2.gz DQEJGZJHRIZHSU-STQMWFEESA-N 2 0 292.398 2.969 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000379196711 393552212 /nfs/dbraw/zinc/55/22/12/393552212.db2.gz JVUAPGIHOCVPHP-JKSUJKDBSA-N 2 0 262.397 2.577 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC000684383572 542797508 /nfs/dbraw/zinc/79/75/08/542797508.db2.gz WTPJUOZKHUYERW-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381059473 393560699 /nfs/dbraw/zinc/56/06/99/393560699.db2.gz KEHQPUFIKLPFSY-DLBZAZTESA-N 2 0 290.451 2.505 20 0 CFADRP CCC(CC)[N@H+](CCOC)CCC1CC[NH2+]CC1 ZINC000042680026 393555033 /nfs/dbraw/zinc/55/50/33/393555033.db2.gz PFKYZWAIHHSOGF-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000684372077 542795076 /nfs/dbraw/zinc/79/50/76/542795076.db2.gz GRIULGQRFDATHQ-GDBMZVCRSA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684378468 542795980 /nfs/dbraw/zinc/79/59/80/542795980.db2.gz WIYMKLFLICQVNE-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc(C2CC2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000380756880 393557667 /nfs/dbraw/zinc/55/76/67/393557667.db2.gz ONIHNKDBNHLCSL-IYBDPMFKSA-N 2 0 270.420 2.995 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000332324700 393561966 /nfs/dbraw/zinc/56/19/66/393561966.db2.gz LCQCGIAYJAERCO-XHSDSOJGSA-N 2 0 268.445 2.567 20 0 CFADRP C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684411073 542803532 /nfs/dbraw/zinc/80/35/32/542803532.db2.gz FLAFGZHIIUPBDF-ZIAGYGMSSA-N 2 0 262.397 2.610 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccsc1 ZINC000382075953 393569107 /nfs/dbraw/zinc/56/91/07/393569107.db2.gz DEOYSNLVRIRFMB-OAHLLOKOSA-N 2 0 295.496 2.815 20 0 CFADRP CO[C@@H](C[NH2+]CCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000400277351 393600093 /nfs/dbraw/zinc/60/00/93/393600093.db2.gz ZOCRFMUJRSUDJO-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401108009 393602095 /nfs/dbraw/zinc/60/20/95/393602095.db2.gz FTLZEZCYPMTXNR-KYEXWDHISA-N 2 0 292.398 2.873 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000401740342 393604696 /nfs/dbraw/zinc/60/46/96/393604696.db2.gz IVUIGBFPNWHRPG-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000190629378 393582076 /nfs/dbraw/zinc/58/20/76/393582076.db2.gz QSDVOYDZOSPMOO-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](CCC)OC)CC1 ZINC000386402845 393586153 /nfs/dbraw/zinc/58/61/53/393586153.db2.gz HJQGGZLPKLOLGZ-OAHLLOKOSA-N 2 0 256.434 2.656 20 0 CFADRP Clc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000058012168 393622910 /nfs/dbraw/zinc/62/29/10/393622910.db2.gz CUIZQAUXQXARSG-UHFFFAOYSA-N 2 0 250.773 2.655 20 0 CFADRP COC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000684557708 542826680 /nfs/dbraw/zinc/82/66/80/542826680.db2.gz CMILFJOWSIIOAF-ISXOHVOVSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1c[nH+]ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000192758030 393632937 /nfs/dbraw/zinc/63/29/37/393632937.db2.gz IPILJZSNOPQOHB-KRWDZBQOSA-N 2 0 297.402 2.569 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000335599872 393682816 /nfs/dbraw/zinc/68/28/16/393682816.db2.gz SSLLTUPHYREWGU-CQSZACIVSA-N 2 0 257.381 2.872 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C1C[NH2+]C1 ZINC000335153653 393647495 /nfs/dbraw/zinc/64/74/95/393647495.db2.gz CPHOMQCWDKPJTL-LKFCYVNXSA-N 2 0 250.773 2.525 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC12CCOCC2 ZINC000335253195 393656053 /nfs/dbraw/zinc/65/60/53/393656053.db2.gz QKAAIELPSILXOQ-CQSZACIVSA-N 2 0 294.826 2.527 20 0 CFADRP CC(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193605725 393656738 /nfs/dbraw/zinc/65/67/38/393656738.db2.gz LVSQUJOROPFLMQ-CALCHBBNSA-N 2 0 258.409 2.803 20 0 CFADRP OC[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411204107 393684612 /nfs/dbraw/zinc/68/46/12/393684612.db2.gz ZSXCARKSOMEIOS-GOSISDBHSA-N 2 0 288.435 2.629 20 0 CFADRP O[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411145062 393674150 /nfs/dbraw/zinc/67/41/50/393674150.db2.gz BFEOWORWLOSHIY-GOSISDBHSA-N 2 0 288.435 2.629 20 0 CFADRP OC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411160342 393675924 /nfs/dbraw/zinc/67/59/24/393675924.db2.gz TWQABGZIPQDGMV-UHFFFAOYSA-N 2 0 288.435 2.629 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000081578872 393735340 /nfs/dbraw/zinc/73/53/40/393735340.db2.gz YKYLOGMNKDFASB-QGZVFWFLSA-N 2 0 292.471 2.717 20 0 CFADRP CC(C)C[C@H]([NH3+])CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654531 393744532 /nfs/dbraw/zinc/74/45/32/393744532.db2.gz BKUSOPXPTKAOSC-ROUUACIJSA-N 2 0 289.467 2.566 20 0 CFADRP CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H](C)CO ZINC000411769106 393746864 /nfs/dbraw/zinc/74/68/64/393746864.db2.gz HUEAZRBFIUXFRW-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000221969571 393762713 /nfs/dbraw/zinc/76/27/13/393762713.db2.gz RMZCSTVREVEGDY-HOSILWTGSA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000411898567 393757716 /nfs/dbraw/zinc/75/77/16/393757716.db2.gz ZUMHLPUKNJWFTD-MSOLQXFVSA-N 2 0 288.435 2.764 20 0 CFADRP C[NH+](C)C(C)(C)CNc1cc[nH+]c2c(O)cccc12 ZINC000684565466 542827816 /nfs/dbraw/zinc/82/78/16/542827816.db2.gz IRQHQWXISRLAHQ-UHFFFAOYSA-N 2 0 259.353 2.693 20 0 CFADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC(C)(C)O ZINC000411273509 393693130 /nfs/dbraw/zinc/69/31/30/393693130.db2.gz OITNTZNKNVMASA-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP CO[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411333399 393701604 /nfs/dbraw/zinc/70/16/04/393701604.db2.gz OOHZEIJPPCEFPF-SFHVURJKSA-N 2 0 288.435 2.893 20 0 CFADRP FC(F)(F)c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219805485 393760458 /nfs/dbraw/zinc/76/04/58/393760458.db2.gz UYKRHLBTJNHJIQ-GXTWGEPZSA-N 2 0 284.325 2.889 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(OCC[NH+](C)C)c1 ZINC000424334081 393834282 /nfs/dbraw/zinc/83/42/82/393834282.db2.gz YLVBVYGTCCSCMW-XJKSGUPXSA-N 2 0 274.408 2.830 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000337415988 393764754 /nfs/dbraw/zinc/76/47/54/393764754.db2.gz ZJNYLVKERXSSNX-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c2c(O)cccc12 ZINC000684572870 542829141 /nfs/dbraw/zinc/82/91/41/542829141.db2.gz LQTSHWUNQHTVON-UHFFFAOYSA-N 2 0 285.391 2.718 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000414068081 393794715 /nfs/dbraw/zinc/79/47/15/393794715.db2.gz JMQATSQQKDIGRO-GJZGRUSLSA-N 2 0 278.444 2.583 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]C(C2CCC2)C2CCC2)CC1(C)C ZINC000338786936 393799846 /nfs/dbraw/zinc/79/98/46/393799846.db2.gz OLPGJDYHYKCYQB-UHFFFAOYSA-N 2 0 293.499 2.571 20 0 CFADRP CCC1(CC)C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000414757864 393803726 /nfs/dbraw/zinc/80/37/26/393803726.db2.gz LWXZMDDFVDPNKM-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735604 393803977 /nfs/dbraw/zinc/80/39/77/393803977.db2.gz FTVGVXMVBCNTJT-JYJNAYRXSA-N 2 0 290.455 2.818 20 0 CFADRP CN1CC[C@H]([NH2+]CCCn2cccn2)C[C@@H]1c1ccccc1 ZINC000340174275 393837592 /nfs/dbraw/zinc/83/75/92/393837592.db2.gz NXULTTYYAOLXMH-ZWKOTPCHSA-N 2 0 298.434 2.698 20 0 CFADRP CC1(C)CCC(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000414784137 393805599 /nfs/dbraw/zinc/80/55/99/393805599.db2.gz QVDOJLMDYJEORN-INIZCTEOSA-N 2 0 294.483 2.890 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000094472922 393809187 /nfs/dbraw/zinc/80/91/87/393809187.db2.gz ZWEGNPOPDAELQI-DGCLKSJQSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC000415119196 393812212 /nfs/dbraw/zinc/81/22/12/393812212.db2.gz XDQPRKKWNZKOJV-XOUADPBQSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@@H]1CCC[NH2+]C1 ZINC000415098505 393812575 /nfs/dbraw/zinc/81/25/75/393812575.db2.gz FJJNDKDUNXSKSQ-OZVIIMIRSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415106906 393812630 /nfs/dbraw/zinc/81/26/30/393812630.db2.gz OFPQUVLVBFLMBQ-LAQRGFTBSA-N 2 0 288.435 2.742 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415096976 393812747 /nfs/dbraw/zinc/81/27/47/393812747.db2.gz CHMZPWGIGGVUQY-RDJZCZTQSA-N 2 0 278.415 2.982 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424283534 393813618 /nfs/dbraw/zinc/81/36/18/393813618.db2.gz BAHIMJKWFURXAS-SYAUCNOPSA-N 2 0 250.430 2.743 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)C1 ZINC000245836651 393829486 /nfs/dbraw/zinc/82/94/86/393829486.db2.gz CSJLALRWKLTOEE-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1c[nH+]ccc1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000343626590 393888750 /nfs/dbraw/zinc/88/87/50/393888750.db2.gz IYGOXHCRNHRLCK-UHFFFAOYSA-N 2 0 267.376 2.711 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000112698026 393893378 /nfs/dbraw/zinc/89/33/78/393893378.db2.gz MBMBSBKSUPFHLD-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCCCCC1 ZINC000471598825 393904248 /nfs/dbraw/zinc/90/42/48/393904248.db2.gz MEDBRQJKTAQMRV-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424378561 393841873 /nfs/dbraw/zinc/84/18/73/393841873.db2.gz TWEZCTVATYNVHS-TUVASFSCSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000424369680 393842163 /nfs/dbraw/zinc/84/21/63/393842163.db2.gz RQFTZDOFGSLKEM-NILFDRSVSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000340482833 393843694 /nfs/dbraw/zinc/84/36/94/393843694.db2.gz GZACORSCEGFOBQ-WCZJQEMASA-N 2 0 270.420 2.862 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246290107 393859169 /nfs/dbraw/zinc/85/91/69/393859169.db2.gz CHOISMACDMLXIM-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000251660176 393933141 /nfs/dbraw/zinc/93/31/41/393933141.db2.gz FZSCGQSSBPSVFE-KBXIAJHMSA-N 2 0 250.430 2.885 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346855657 393933461 /nfs/dbraw/zinc/93/34/61/393933461.db2.gz OMAIDKFJHWGHEA-RDJZCZTQSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000346880143 393933520 /nfs/dbraw/zinc/93/35/20/393933520.db2.gz MSVPTDPHLASICP-YIDVYQOGSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120868037 393942643 /nfs/dbraw/zinc/94/26/43/393942643.db2.gz MQKNDAUHRHBWQS-IRXDYDNUSA-N 2 0 281.488 2.594 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000474930552 393947491 /nfs/dbraw/zinc/94/74/91/393947491.db2.gz XNAFGTGNOUVPTJ-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000474930553 393947742 /nfs/dbraw/zinc/94/77/42/393947742.db2.gz XNAFGTGNOUVPTJ-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)SCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000348266879 393950126 /nfs/dbraw/zinc/95/01/26/393950126.db2.gz CCXBWCWNHUNTPU-UHFFFAOYSA-N 2 0 258.475 2.981 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1csc(Br)c1 ZINC000122298456 393966865 /nfs/dbraw/zinc/96/68/65/393966865.db2.gz YAVSGTLBAKODGU-RKDXNWHRSA-N 2 0 289.242 2.680 20 0 CFADRP CC1(C)CC([NH2+]C/C=C\c2ccncc2)CC(C)(C)[NH2+]1 ZINC000486957460 393975165 /nfs/dbraw/zinc/97/51/65/393975165.db2.gz PZUZYTHYCLRQDM-WAYWQWQTSA-N 2 0 273.424 2.994 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000486971136 393976476 /nfs/dbraw/zinc/97/64/76/393976476.db2.gz QPCBDSPOUTWQII-ARJAWSKDSA-N 2 0 273.424 2.805 20 0 CFADRP C(=C/c1ccncc1)\C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000486980895 393977821 /nfs/dbraw/zinc/97/78/21/393977821.db2.gz LQQCZDKPKBXENH-NSCUHMNNSA-N 2 0 271.408 2.701 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)nn2C)CC1 ZINC000417711534 393994762 /nfs/dbraw/zinc/99/47/62/393994762.db2.gz QAUZHWFPYPZBAE-UHFFFAOYSA-N 2 0 292.471 2.672 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430631407 394000368 /nfs/dbraw/zinc/00/03/68/394000368.db2.gz UQJWVKZCPCLYSM-SJLPKXTDSA-N 2 0 290.451 2.838 20 0 CFADRP CN(C[C@@H](O)C[N@@H+]1CCC[C@H]1CC1CCCCC1)C1CC1 ZINC000351449250 394003357 /nfs/dbraw/zinc/00/33/57/394003357.db2.gz YBUTUUZMEUYOGI-ZWKOTPCHSA-N 2 0 294.483 2.876 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000430694407 394005330 /nfs/dbraw/zinc/00/53/30/394005330.db2.gz KHPOENRDMCJPOX-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc[nH+]1 ZINC000488723690 394038440 /nfs/dbraw/zinc/03/84/40/394038440.db2.gz RBRKBHZCOOMMAO-XJKCOSOUSA-N 2 0 259.397 2.557 20 0 CFADRP COCCN(C)CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000126972726 394039857 /nfs/dbraw/zinc/03/98/57/394039857.db2.gz MHOXOAIPDYLTDY-UHFFFAOYSA-N 2 0 284.469 2.713 20 0 CFADRP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000274924848 394045470 /nfs/dbraw/zinc/04/54/70/394045470.db2.gz PTQKVEQZYOLIRQ-HNNXBMFYSA-N 2 0 259.397 2.845 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000437104904 394047018 /nfs/dbraw/zinc/04/70/18/394047018.db2.gz ARMFSIWQEGTHDJ-NVXWUHKLSA-N 2 0 289.467 2.961 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)sc1C ZINC000127734764 394054899 /nfs/dbraw/zinc/05/48/99/394054899.db2.gz WQUZXLDFPRVAPP-COPLHBTASA-N 2 0 281.469 2.621 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1(C)C ZINC000355035240 394054970 /nfs/dbraw/zinc/05/49/70/394054970.db2.gz HYRMNLMPZSDAGO-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127822496 394056615 /nfs/dbraw/zinc/05/66/15/394056615.db2.gz CUQDFBNJGINZSO-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000277560884 394056939 /nfs/dbraw/zinc/05/69/39/394056939.db2.gz AEJXDNWFVZAMNV-OAHLLOKOSA-N 2 0 260.425 2.675 20 0 CFADRP C[C@@H](C[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000437579849 394060864 /nfs/dbraw/zinc/06/08/64/394060864.db2.gz INMQUMKNXQXLKF-ZDUSSCGKSA-N 2 0 264.388 2.955 20 0 CFADRP C[C@H]1C[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)S1 ZINC000211954213 542874554 /nfs/dbraw/zinc/87/45/54/542874554.db2.gz XCZOHUAGKCIRGT-STQMWFEESA-N 2 0 276.449 2.658 20 0 CFADRP COc1cccc(OC)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000419799481 394064092 /nfs/dbraw/zinc/06/40/92/394064092.db2.gz XGEYGRRSRVPZKH-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000281118459 394075678 /nfs/dbraw/zinc/07/56/78/394075678.db2.gz DBNRNDIDZIHFMR-OAHLLOKOSA-N 2 0 280.387 2.753 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000437800461 394076932 /nfs/dbraw/zinc/07/69/32/394076932.db2.gz NFQRPAKFPKJJNV-KBPBESRZSA-N 2 0 252.789 2.915 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000437800466 394077088 /nfs/dbraw/zinc/07/70/88/394077088.db2.gz NFQRPAKFPKJJNV-ZIAGYGMSSA-N 2 0 252.789 2.915 20 0 CFADRP Cc1ccc(CNC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000129103024 394081749 /nfs/dbraw/zinc/08/17/49/394081749.db2.gz MWECCHWWJSWISS-UHFFFAOYSA-N 2 0 261.413 2.743 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC[C@H]3CCC[NH2+]C3)c2c1 ZINC000420196439 394092356 /nfs/dbraw/zinc/09/23/56/394092356.db2.gz LARANICMMPFQML-CQSZACIVSA-N 2 0 269.392 2.767 20 0 CFADRP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000353294275 394028425 /nfs/dbraw/zinc/02/84/25/394028425.db2.gz UNWHUWPVLBTEBU-DISONHOPSA-N 2 0 292.467 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)C[C@H]1C ZINC000353744673 394035525 /nfs/dbraw/zinc/03/55/25/394035525.db2.gz HAROVGSHCODZIW-PBHICJAKSA-N 2 0 288.435 2.926 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000361947268 394178816 /nfs/dbraw/zinc/17/88/16/394178816.db2.gz REOQARVSXBVRQC-UONOGXRCSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CC[N@@H+]1C ZINC000130264605 394107635 /nfs/dbraw/zinc/10/76/35/394107635.db2.gz ZQVRWUBAIKIARG-LSDHHAIUSA-N 2 0 262.397 2.528 20 0 CFADRP CC(C)c1nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C(C)(C)C)n1 ZINC000420270514 394111251 /nfs/dbraw/zinc/11/12/51/394111251.db2.gz GWTOSJFYAHSDNN-OLZOCXBDSA-N 2 0 288.439 2.696 20 0 CFADRP [NH3+][C@@H]1CCCN([C@H]2CCc3c2cccc3Cl)C1 ZINC000420279971 394114717 /nfs/dbraw/zinc/11/47/17/394114717.db2.gz XYZGXEVJWUTNBX-YGRLFVJLSA-N 2 0 250.773 2.750 20 0 CFADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000130633593 394116129 /nfs/dbraw/zinc/11/61/29/394116129.db2.gz ZXQRSHSBVXEECD-LLVKDONJSA-N 2 0 298.390 2.769 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(OC)c(OC)c1 ZINC000420317696 394116779 /nfs/dbraw/zinc/11/67/79/394116779.db2.gz NTCOOABKPOHNME-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381770 394118024 /nfs/dbraw/zinc/11/80/24/394118024.db2.gz CPUQESFBQDYKRT-NVXWUHKLSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420382929 394119316 /nfs/dbraw/zinc/11/93/16/394119316.db2.gz ZDLSVZUPSLXJBE-RDTXWAMCSA-N 2 0 288.435 2.700 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CCCC(C)C)CC2)CC1 ZINC000420985475 394146940 /nfs/dbraw/zinc/14/69/40/394146940.db2.gz VYSRXNDHNJUKKD-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CCCCCF)CC2)CC1 ZINC000420987099 394147978 /nfs/dbraw/zinc/14/79/78/394147978.db2.gz ZWUUTVZNXVGXIH-UHFFFAOYSA-N 2 0 299.478 2.618 20 0 CFADRP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H]1CC ZINC000447316682 394150926 /nfs/dbraw/zinc/15/09/26/394150926.db2.gz ZXZZMYMELWAFEA-JGAFCMAOSA-N 2 0 282.472 2.588 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC[N@@H+]2C1 ZINC000360985657 394161808 /nfs/dbraw/zinc/16/18/08/394161808.db2.gz HZQOQQBAERTRAY-IGKNDFSCSA-N 2 0 292.467 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccncc1F ZINC000449220455 394255734 /nfs/dbraw/zinc/25/57/34/394255734.db2.gz QKVGFICTVSMRLA-CYBMUJFWSA-N 2 0 267.392 2.821 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000449218544 394255740 /nfs/dbraw/zinc/25/57/40/394255740.db2.gz JKVIKJOVKJTMFG-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000421377006 394209947 /nfs/dbraw/zinc/20/99/47/394209947.db2.gz SPMXKNQFPXVVPO-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP COc1ccc(F)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421379336 394210647 /nfs/dbraw/zinc/21/06/47/394210647.db2.gz UKMJYTDAHDRKJD-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000421381374 394211540 /nfs/dbraw/zinc/21/15/40/394211540.db2.gz ZMXHPORSFOMDEH-HPUBIQBYSA-N 2 0 292.471 2.857 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccncc1F ZINC000449081987 394213689 /nfs/dbraw/zinc/21/36/89/394213689.db2.gz JKURAPWCGIJRPL-AWEZNQCLSA-N 2 0 279.403 2.965 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150968686 394257067 /nfs/dbraw/zinc/25/70/67/394257067.db2.gz HDPHSVHTWONMIU-MSOLQXFVSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449130752 394222605 /nfs/dbraw/zinc/22/26/05/394222605.db2.gz HQDUOVSMHCBTMI-FUHWJXTLSA-N 2 0 295.515 2.818 20 0 CFADRP c1cc2cccc(C[NH2+][C@H]3CCN(C4CC4)C3)c2o1 ZINC000449131789 394223643 /nfs/dbraw/zinc/22/36/43/394223643.db2.gz PQBSIGCYQCLYQD-AWEZNQCLSA-N 2 0 256.349 2.759 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449131073 394223687 /nfs/dbraw/zinc/22/36/87/394223687.db2.gz JXCYCVMVJSSZRF-UHFFFAOYSA-N 2 0 258.365 2.864 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449131359 394223808 /nfs/dbraw/zinc/22/38/08/394223808.db2.gz MBMRQLNFMDINNV-AWEZNQCLSA-N 2 0 264.413 2.922 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449131930 394223984 /nfs/dbraw/zinc/22/39/84/394223984.db2.gz QKQYGUJZURBQAT-OAHLLOKOSA-N 2 0 283.504 2.674 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449131333 394224017 /nfs/dbraw/zinc/22/40/17/394224017.db2.gz LWVXBFXEXUWSHS-SJLPKXTDSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422889560 394257581 /nfs/dbraw/zinc/25/75/81/394257581.db2.gz PWANSFRAIICKII-YCPHGPKFSA-N 2 0 274.408 2.530 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150981468 394258102 /nfs/dbraw/zinc/25/81/02/394258102.db2.gz UABICYFWJKOYEO-WBVHZDCISA-N 2 0 283.504 2.817 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C2CCC(COC)CC2)CC1 ZINC000449167790 394238882 /nfs/dbraw/zinc/23/88/82/394238882.db2.gz LBOSTQYEGNRADT-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000421821357 394244084 /nfs/dbraw/zinc/24/40/84/394244084.db2.gz RAOORFDNCHVGQI-ULQDDVLXSA-N 2 0 285.435 2.545 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000421821954 394244103 /nfs/dbraw/zinc/24/41/03/394244103.db2.gz VAGYVYFJESABAH-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CSC[C@@H]1C)C(C)C ZINC000449182321 394244622 /nfs/dbraw/zinc/24/46/22/394244622.db2.gz JQFBPTOLLDARCZ-KBPBESRZSA-N 2 0 258.475 2.836 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422920751 394259085 /nfs/dbraw/zinc/25/90/85/394259085.db2.gz NOKOIQXCVXQARM-YHUYYLMFSA-N 2 0 268.445 2.558 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCc4cccnc4CC3)ccc12 ZINC000421858396 394247005 /nfs/dbraw/zinc/24/70/05/394247005.db2.gz QOEMWJJSFIBHAV-MRXNPFEDSA-N 2 0 292.386 2.767 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCCC[NH3+])C[C@@H]1OC ZINC000422945097 394259230 /nfs/dbraw/zinc/25/92/30/394259230.db2.gz UAJZVNNFMOFAFX-MCIONIFRSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CCSCC3)CC[N@@H+]1C ZINC000421879439 394248137 /nfs/dbraw/zinc/24/81/37/394248137.db2.gz NDPZSPKBZMQSPP-RDBSUJKOSA-N 2 0 268.470 2.592 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367618511 394259322 /nfs/dbraw/zinc/25/93/22/394259322.db2.gz SVTYHEACBZACDI-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000151085119 394259675 /nfs/dbraw/zinc/25/96/75/394259675.db2.gz WNCKJUKVZLRPFD-LTIDMASMSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCc2ccsc2)C[C@@H]1C[NH3+] ZINC000422633581 394253338 /nfs/dbraw/zinc/25/33/38/394253338.db2.gz INADBYBVBONRJL-IPYPFGDCSA-N 2 0 266.454 2.986 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367357076 394254404 /nfs/dbraw/zinc/25/44/04/394254404.db2.gz TXEFJKIHEGUTQM-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1c[nH+]ccc1N ZINC000422750270 394254518 /nfs/dbraw/zinc/25/45/18/394254518.db2.gz AKHUZKIQMFCGJM-KBPBESRZSA-N 2 0 290.455 2.655 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccn2C)CC1 ZINC000134174685 394190489 /nfs/dbraw/zinc/19/04/89/394190489.db2.gz PNKUIKVCHDNTSH-UHFFFAOYSA-N 2 0 277.456 2.969 20 0 CFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422982807 394260189 /nfs/dbraw/zinc/26/01/89/394260189.db2.gz RLOKDTVNSWLHCW-IAQYHMDHSA-N 2 0 266.816 2.859 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)c2ccccc21 ZINC000423044058 394262013 /nfs/dbraw/zinc/26/20/13/394262013.db2.gz APXJSRCIOQWZDW-IEAZIUSSSA-N 2 0 272.392 2.678 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCCCC1 ZINC000423045958 394262174 /nfs/dbraw/zinc/26/21/74/394262174.db2.gz DMXSGOPMMXZHMQ-QLFBSQMISA-N 2 0 268.445 2.689 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000423070092 394262929 /nfs/dbraw/zinc/26/29/29/394262929.db2.gz MPIVLYRARUCTIT-YPMHNXCESA-N 2 0 294.370 2.976 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccccc1OC(F)F ZINC000423072946 394264093 /nfs/dbraw/zinc/26/40/93/394264093.db2.gz QSQXTIBDSAQTIV-GFCCVEGCSA-N 2 0 286.366 2.938 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000423076097 394264609 /nfs/dbraw/zinc/26/46/09/394264609.db2.gz QGWYLSJNDRMSIY-OLMNPRSZSA-N 2 0 285.435 2.738 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000423076096 394264687 /nfs/dbraw/zinc/26/46/87/394264687.db2.gz QGWYLSJNDRMSIY-BMGDILEWSA-N 2 0 285.435 2.738 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[NH+](C)C ZINC000151909183 394265559 /nfs/dbraw/zinc/26/55/59/394265559.db2.gz HUUYUQHLQJFXKZ-WBMJQRKESA-N 2 0 264.388 2.990 20 0 CFADRP c1ccc([C@H]2OCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423078883 394265657 /nfs/dbraw/zinc/26/56/57/394265657.db2.gz PNZNTAMQXFVZIO-FNNOIMFVSA-N 2 0 286.419 2.637 20 0 CFADRP CCC[C@H](C)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050939 394265786 /nfs/dbraw/zinc/26/57/86/394265786.db2.gz IWPLOEUDWBBWBK-DOTOQJQBSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc2c(s1)CCC2 ZINC000151934555 394266495 /nfs/dbraw/zinc/26/64/95/394266495.db2.gz CIVBJKLQVGXHRE-LLVKDONJSA-N 2 0 252.427 2.839 20 0 CFADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424072608 394331091 /nfs/dbraw/zinc/33/10/91/394331091.db2.gz DFZJPSDOTNHRLT-HOTGVXAUSA-N 2 0 297.487 2.554 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423085940 394267537 /nfs/dbraw/zinc/26/75/37/394267537.db2.gz KXGXTVISUJISRC-BXUZGUMPSA-N 2 0 270.804 2.745 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000423092737 394269121 /nfs/dbraw/zinc/26/91/21/394269121.db2.gz DDVFUXNDQGILJS-UKRRQHHQSA-N 2 0 293.455 2.687 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423092047 394269866 /nfs/dbraw/zinc/26/98/66/394269866.db2.gz AGUVTGQMHGVHPP-BPUTZDHNSA-N 2 0 296.842 2.930 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000423095722 394270236 /nfs/dbraw/zinc/27/02/36/394270236.db2.gz FUAWBJVJSRHMQG-OTRWWLKZSA-N 2 0 260.425 2.971 20 0 CFADRP CC[C@H]([NH2+]C1CC(C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423134135 394271047 /nfs/dbraw/zinc/27/10/47/394271047.db2.gz WRWLNLLLKJCIIS-QQFIATSDSA-N 2 0 264.335 2.838 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423146384 394271942 /nfs/dbraw/zinc/27/19/42/394271942.db2.gz ALPAFQUSKQEIDT-KKBFJZEXSA-N 2 0 286.419 2.878 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000423167409 394272264 /nfs/dbraw/zinc/27/22/64/394272264.db2.gz FCHCKXDRIQBRBK-BVUBDWEXSA-N 2 0 250.430 2.790 20 0 CFADRP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220670 394274186 /nfs/dbraw/zinc/27/41/86/394274186.db2.gz YUJHFWUXBZQCEE-BBRMVZONSA-N 2 0 258.409 2.998 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423226382 394274284 /nfs/dbraw/zinc/27/42/84/394274284.db2.gz QMQYWQKEBUVGKX-BBRMVZONSA-N 2 0 284.407 2.577 20 0 CFADRP CC[C@@H](NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423251040 394274970 /nfs/dbraw/zinc/27/49/70/394274970.db2.gz VQNUWPSAVNVPRN-KURKYZTESA-N 2 0 289.467 2.930 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423265174 394274986 /nfs/dbraw/zinc/27/49/86/394274986.db2.gz ZMOCGLFIHJFEKD-GOEBONIOSA-N 2 0 261.413 2.758 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423254913 394274997 /nfs/dbraw/zinc/27/49/97/394274997.db2.gz ZXDDPBHRSKJKGI-JOYOIKCWSA-N 2 0 284.325 2.680 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423279658 394276283 /nfs/dbraw/zinc/27/62/83/394276283.db2.gz SPIGCVCAUUKWRQ-GWCFXTLKSA-N 2 0 268.401 2.808 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000423372445 394278811 /nfs/dbraw/zinc/27/88/11/394278811.db2.gz GJCTUJOOSKZGKP-DDBAPUKQSA-N 3 0 287.451 2.552 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000423391715 394279717 /nfs/dbraw/zinc/27/97/17/394279717.db2.gz POXLFLULJJZCGX-ISTVAULSSA-N 2 0 266.335 2.812 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423376774 394279753 /nfs/dbraw/zinc/27/97/53/394279753.db2.gz YOZYWDDAGSYCJN-ZBFHGGJFSA-N 2 0 262.372 2.935 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423405086 394280751 /nfs/dbraw/zinc/28/07/51/394280751.db2.gz JBOZHENYMCOEKF-BZUAXINKSA-N 2 0 282.472 2.807 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423509625 394286517 /nfs/dbraw/zinc/28/65/17/394286517.db2.gz LQAYDUZTTUBFJV-CVEARBPZSA-N 2 0 286.423 2.941 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CC[C@@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423517266 394287911 /nfs/dbraw/zinc/28/79/11/394287911.db2.gz BLWXUEUCGNAJFG-DUUKUJHXSA-N 2 0 274.452 2.918 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423521541 394289507 /nfs/dbraw/zinc/28/95/07/394289507.db2.gz GERJILYOUYBYBM-GFCCVEGCSA-N 2 0 279.453 2.815 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423524561 394290553 /nfs/dbraw/zinc/29/05/53/394290553.db2.gz ZOHNDTGECHCDDK-IKGGRYGDSA-N 2 0 260.425 2.971 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423530014 394291031 /nfs/dbraw/zinc/29/10/31/394291031.db2.gz QWDHOWSSTBWAPC-ZDUSSCGKSA-N 2 0 262.397 2.878 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423530687 394291222 /nfs/dbraw/zinc/29/12/22/394291222.db2.gz RRXVCJYLTVHNQO-AWEZNQCLSA-N 2 0 298.434 2.973 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cccs1 ZINC000153753494 394291419 /nfs/dbraw/zinc/29/14/19/394291419.db2.gz ZRLOTVNEIJCPMX-CYBMUJFWSA-N 2 0 270.442 2.757 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423531621 394292272 /nfs/dbraw/zinc/29/22/72/394292272.db2.gz SYWGEPVWNGBULW-MDYUNMRDSA-N 2 0 262.441 2.918 20 0 CFADRP FC(F)C1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423539909 394293955 /nfs/dbraw/zinc/29/39/55/394293955.db2.gz PPCCHXAFBIVPKY-UHFFFAOYSA-N 2 0 258.356 2.710 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423541919 394295098 /nfs/dbraw/zinc/29/50/98/394295098.db2.gz AGRGVFPDXPCRMA-ZDUSSCGKSA-N 2 0 260.381 2.656 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423548032 394295523 /nfs/dbraw/zinc/29/55/23/394295523.db2.gz GKMFPHGERDPVFA-KRWDZBQOSA-N 2 0 256.393 2.963 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423549689 394295782 /nfs/dbraw/zinc/29/57/82/394295782.db2.gz HZEAHVYGNDQXRL-IWCQGFGOSA-N 2 0 258.409 2.910 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1OC ZINC000423561659 394297392 /nfs/dbraw/zinc/29/73/92/394297392.db2.gz PVVTVFJHPYHKCL-ZDUSSCGKSA-N 2 0 290.407 2.664 20 0 CFADRP C[N@@H+]1CC[C@@H](NCCC[NH2+]C2CC2)C[C@H]1c1ccccc1 ZINC000423564720 394298234 /nfs/dbraw/zinc/29/82/34/394298234.db2.gz SBNFXSCQIGSTGG-MSOLQXFVSA-N 2 0 287.451 2.554 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423572709 394298672 /nfs/dbraw/zinc/29/86/72/394298672.db2.gz YOWVOSBJSMEGOU-QGZVFWFLSA-N 2 0 272.392 2.582 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(CC)CC ZINC000423571342 394299424 /nfs/dbraw/zinc/29/94/24/394299424.db2.gz XJASEBVYQPKBNF-CABCVRRESA-N 2 0 268.445 2.702 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000423785482 394319078 /nfs/dbraw/zinc/31/90/78/394319078.db2.gz OHTQSLWSNXKMAQ-HNNXBMFYSA-N 2 0 289.423 2.527 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000155691253 394321410 /nfs/dbraw/zinc/32/14/10/394321410.db2.gz OWXZKFIAJXUJRT-RBSFLKMASA-N 2 0 256.434 2.510 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)sc1C ZINC000155687616 394321440 /nfs/dbraw/zinc/32/14/40/394321440.db2.gz UOBIFJRCOLECHA-WFASDCNBSA-N 2 0 295.496 2.876 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCCC1 ZINC000155745231 394321957 /nfs/dbraw/zinc/32/19/57/394321957.db2.gz BPZCUEANAOUQKW-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCCC1 ZINC000155745336 394322032 /nfs/dbraw/zinc/32/20/32/394322032.db2.gz BPZCUEANAOUQKW-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CCCN(CC)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000156792442 394338554 /nfs/dbraw/zinc/33/85/54/394338554.db2.gz NRGTYOWDDOIYDM-AWEZNQCLSA-N 2 0 252.402 2.922 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157279166 394343431 /nfs/dbraw/zinc/34/34/31/394343431.db2.gz JURCRWAYEARUAB-ZWKOTPCHSA-N 2 0 287.451 2.843 20 0 CFADRP Cc1nc2ccc(C[NH2+]CC3=CC[N@H+](C)CC3)cc2s1 ZINC000494201066 394344399 /nfs/dbraw/zinc/34/43/99/394344399.db2.gz JIFIQJBYLKDGJT-UHFFFAOYSA-N 2 0 287.432 2.956 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453368122 394391251 /nfs/dbraw/zinc/39/12/51/394391251.db2.gz UKTZZHIEAYYJEN-DSZSVDOYSA-N 2 0 286.419 2.897 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000157428376 394345217 /nfs/dbraw/zinc/34/52/17/394345217.db2.gz XFAJDZDEPYTOCE-BFYDXBDKSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000157940523 394352213 /nfs/dbraw/zinc/35/22/13/394352213.db2.gz UZFZBNPQQFPOQB-MISXGVKJSA-N 2 0 281.469 2.621 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccn1 ZINC000158576942 394359031 /nfs/dbraw/zinc/35/90/31/394359031.db2.gz SNKODJLPWMMKQG-OAGGEKHMSA-N 2 0 290.455 2.885 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158762004 394361150 /nfs/dbraw/zinc/36/11/50/394361150.db2.gz WLELYIKCACHBTO-INIZCTEOSA-N 2 0 268.445 2.823 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)c1ccccn1 ZINC000158978582 394362597 /nfs/dbraw/zinc/36/25/97/394362597.db2.gz TWAFDKOKKGIYDP-HZPDHXFCSA-N 2 0 291.439 2.623 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453106825 394381655 /nfs/dbraw/zinc/38/16/55/394381655.db2.gz FOLMNKFAEHJSHK-KBXCAEBGSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC1CCOCC1 ZINC000453215746 394382430 /nfs/dbraw/zinc/38/24/30/394382430.db2.gz GSTKISWPDMEIRX-IJEWVQPXSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000525870123 394384010 /nfs/dbraw/zinc/38/40/10/394384010.db2.gz PHLHPTPDUAJEDN-INIZCTEOSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000178039562 394385901 /nfs/dbraw/zinc/38/59/01/394385901.db2.gz BABUKHCZEIMTDY-KFWWJZLASA-N 2 0 270.461 2.900 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccnc(C)c2)C1 ZINC000527533039 394388239 /nfs/dbraw/zinc/38/82/39/394388239.db2.gz HFZGIZLPRXKJPS-MRXNPFEDSA-N 2 0 261.413 2.554 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(CO)c1 ZINC000453401004 394397143 /nfs/dbraw/zinc/39/71/43/394397143.db2.gz MNQOGNKYYPMEKQ-CQSZACIVSA-N 2 0 276.424 2.704 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cncs1 ZINC000453409511 394399161 /nfs/dbraw/zinc/39/91/61/394399161.db2.gz UMEIBFWHZCVDCN-LLVKDONJSA-N 2 0 253.415 2.668 20 0 CFADRP FC1(F)CC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000453429902 394402788 /nfs/dbraw/zinc/40/27/88/394402788.db2.gz QNWVGRMCTVKJJL-STQMWFEESA-N 2 0 258.356 2.638 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453431370 394402867 /nfs/dbraw/zinc/40/28/67/394402867.db2.gz RQIPOWVZLAADQY-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527776352 394405875 /nfs/dbraw/zinc/40/58/75/394405875.db2.gz BADHGIMSIWMYCU-HNNXBMFYSA-N 2 0 271.408 2.989 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC2CCOCC2)C1 ZINC000685455700 542916512 /nfs/dbraw/zinc/91/65/12/542916512.db2.gz NASJFZHPMDZPCM-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@H+](CCC1CC[NH+](Cc2cn[nH]c2)CC1)CC(C)C ZINC000685462610 542919906 /nfs/dbraw/zinc/91/99/06/542919906.db2.gz GJLUFOSNYXCOSK-UHFFFAOYSA-N 2 0 292.471 2.990 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)CC2 ZINC000528002346 394437780 /nfs/dbraw/zinc/43/77/80/394437780.db2.gz PXLBLRAHHHQBIK-WMZOPIPTSA-N 2 0 299.462 2.936 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527857504 394417828 /nfs/dbraw/zinc/41/78/28/394417828.db2.gz CDWOUXDOBLRROA-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)OCC ZINC000527930806 394427528 /nfs/dbraw/zinc/42/75/28/394427528.db2.gz LITHENGVUOOVMG-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527953006 394430845 /nfs/dbraw/zinc/43/08/45/394430845.db2.gz VNUYFZAEZQOPCQ-SFHVURJKSA-N 2 0 293.499 2.856 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2n1 ZINC000527964962 394432920 /nfs/dbraw/zinc/43/29/20/394432920.db2.gz WAQFEWUBAWPRQJ-BQFCYCMXSA-N 2 0 298.434 2.536 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528001917 394437275 /nfs/dbraw/zinc/43/72/75/394437275.db2.gz OCFDZMMLLMOQGD-XJKSGUPXSA-N 2 0 262.397 2.817 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207881 394479881 /nfs/dbraw/zinc/47/98/81/394479881.db2.gz FANPPJBFCTZROK-HOCLYGCPSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530213661 394482602 /nfs/dbraw/zinc/48/26/02/394482602.db2.gz UQOVHNPFNLDSDB-GFVQHMJJSA-N 2 0 290.838 2.956 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530217170 394485375 /nfs/dbraw/zinc/48/53/75/394485375.db2.gz SCPWADVBQNHHAC-IJLUTSLNSA-N 2 0 276.346 2.982 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)c(OC)c1 ZINC000530218839 394485686 /nfs/dbraw/zinc/48/56/86/394485686.db2.gz NMMIXFAZCJDZSB-HSBZDZAISA-N 2 0 292.423 2.872 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530220972 394487193 /nfs/dbraw/zinc/48/71/93/394487193.db2.gz VBIBFPXRJZXQHJ-FOSCPWQOSA-N 2 0 260.372 2.931 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000530220906 394487597 /nfs/dbraw/zinc/48/75/97/394487597.db2.gz KBTZTFJRAZSUOF-QWHCGFSZSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000530232104 394492810 /nfs/dbraw/zinc/49/28/10/394492810.db2.gz NEXIBZOYBUIXOZ-LBPRGKRZSA-N 2 0 280.362 2.952 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240192 394494439 /nfs/dbraw/zinc/49/44/39/394494439.db2.gz AQMJHBCEXJUJBY-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000536854633 394573063 /nfs/dbraw/zinc/57/30/63/394573063.db2.gz ZAHLHZGIJCCDOW-IWCQGFGOSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)Oc1cccc(C)c1 ZINC000540221875 394645190 /nfs/dbraw/zinc/64/51/90/394645190.db2.gz XNACOOAGZVLZKO-UXLLHSPISA-N 2 0 276.424 2.692 20 0 CFADRP C[C@@H](CCO)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000540606549 394649913 /nfs/dbraw/zinc/64/99/13/394649913.db2.gz LKABAMDZTZXAIS-HNNXBMFYSA-N 2 0 294.483 2.639 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc3[nH]cnc3c2)c1 ZINC000540812317 394653294 /nfs/dbraw/zinc/65/32/94/394653294.db2.gz TWWFHDMFVGXSER-UHFFFAOYSA-N 2 0 294.402 2.914 20 0 CFADRP C[C@H](NCc1ccc(CO)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905580 394691147 /nfs/dbraw/zinc/69/11/47/394691147.db2.gz XAZUXXHBDKJUGQ-KBPBESRZSA-N 2 0 292.423 2.515 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000542149449 394695951 /nfs/dbraw/zinc/69/59/51/394695951.db2.gz BZVMOUUWCDUYRQ-ZDUSSCGKSA-N 2 0 266.454 2.953 20 0 CFADRP C[N@H+](CC1Cc2ccccc2C1)CC1CC[NH+](C)CC1 ZINC000685836107 542948543 /nfs/dbraw/zinc/94/85/43/542948543.db2.gz JCQXVKVAGSPRBN-UHFFFAOYSA-N 2 0 272.436 2.675 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166172782 542958754 /nfs/dbraw/zinc/95/87/54/542958754.db2.gz WRRWOMURTXFWPI-KZNAEPCWSA-N 3 0 293.499 2.857 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)C ZINC000556863140 395022336 /nfs/dbraw/zinc/02/23/36/395022336.db2.gz OWDDWAULJDTZRF-MLHJIOFPSA-N 2 0 295.515 2.815 20 0 CFADRP CCn1c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nc2ccccc21 ZINC000556943006 395025927 /nfs/dbraw/zinc/02/59/27/395025927.db2.gz JEOJYQLBYUTCMF-ZIAGYGMSSA-N 2 0 286.423 2.663 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(-n3cccn3)c2)CC1 ZINC000556952840 395026670 /nfs/dbraw/zinc/02/66/70/395026670.db2.gz TXRHHDOEQKYNTG-WKILWMFISA-N 2 0 298.434 2.727 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@@H]2C(C)C)CC[NH+](C)CC1 ZINC000558505138 395062772 /nfs/dbraw/zinc/06/27/72/395062772.db2.gz AXHDQMRRDWBHGR-ZIAGYGMSSA-N 2 0 270.486 2.838 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000558699528 395072174 /nfs/dbraw/zinc/07/21/74/395072174.db2.gz OPLGGAYPQKCJKA-IAGOWNOFSA-N 2 0 299.478 2.522 20 0 CFADRP c1ccc2c(c1)COC21CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000648408463 395130753 /nfs/dbraw/zinc/13/07/53/395130753.db2.gz FIQGWHYWDSXWJM-UHFFFAOYSA-N 2 0 286.419 2.508 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC000648448272 395147124 /nfs/dbraw/zinc/14/71/24/395147124.db2.gz VESDTTQDBNCAHT-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000493943488 285617579 /nfs/dbraw/zinc/61/75/79/285617579.db2.gz DHTZCLGDXSHUCI-RHSMWYFYSA-N 2 0 276.424 2.694 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)o1 ZINC000647148737 395180201 /nfs/dbraw/zinc/18/02/01/395180201.db2.gz WEIXKLSFZPPDJM-GFCCVEGCSA-N 2 0 290.367 2.596 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000180560276 543014552 /nfs/dbraw/zinc/01/45/52/543014552.db2.gz VVMSJDYAONKLLL-BXUZGUMPSA-N 2 0 266.433 2.735 20 0 CFADRP c1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000180038939 543010047 /nfs/dbraw/zinc/01/00/47/543010047.db2.gz ALINTZYRWFUTAA-UHFFFAOYSA-N 2 0 288.439 2.565 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180230290 543011538 /nfs/dbraw/zinc/01/15/38/543011538.db2.gz BIPKADVRDFFBRB-OAHLLOKOSA-N 2 0 260.425 2.848 20 0 CFADRP CCC[NH+](CCC)CCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647151152 395182544 /nfs/dbraw/zinc/18/25/44/395182544.db2.gz YOMLTBXCHZSNPI-CYBMUJFWSA-N 2 0 280.416 2.549 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000647168753 395194865 /nfs/dbraw/zinc/19/48/65/395194865.db2.gz KHLNHMSBSWJISG-RHSMWYFYSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000647170345 395196319 /nfs/dbraw/zinc/19/63/19/395196319.db2.gz WZYRLXJOCYKSQI-PBHICJAKSA-N 2 0 274.408 2.549 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1 ZINC000647172185 395197492 /nfs/dbraw/zinc/19/74/92/395197492.db2.gz LTNJOHQWZLTPQR-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000647172183 395198111 /nfs/dbraw/zinc/19/81/11/395198111.db2.gz LTNJOHQWZLTPQR-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP Cc1ccccc1-n1cc(C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000647180236 395204140 /nfs/dbraw/zinc/20/41/40/395204140.db2.gz OJQWNXWCCSHTSW-UHFFFAOYSA-N 2 0 298.434 2.612 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)CO1 ZINC000647186445 395208499 /nfs/dbraw/zinc/20/84/99/395208499.db2.gz MSWIHVANQANVPQ-ORIJERBGSA-N 2 0 294.464 2.898 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccncc1 ZINC000647304338 395280650 /nfs/dbraw/zinc/28/06/50/395280650.db2.gz HRBXDLHGUPNMIU-GOEBONIOSA-N 2 0 263.429 2.956 20 0 CFADRP CC/C=C\C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648716675 395282711 /nfs/dbraw/zinc/28/27/11/395282711.db2.gz ZLTMXIOLRAGVKA-WAYWQWQTSA-N 2 0 262.397 2.683 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000648767617 395302682 /nfs/dbraw/zinc/30/26/82/395302682.db2.gz CFOCOZMWCMTYRQ-HOCLYGCPSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1ncccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248930 395256620 /nfs/dbraw/zinc/25/66/20/395256620.db2.gz QQDGYCKCQFKFRV-MOPGFXCFSA-N 2 0 295.430 2.825 20 0 CFADRP CCC1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000648684211 395261743 /nfs/dbraw/zinc/26/17/43/395261743.db2.gz BCEJMZWQPBROQP-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000648698759 395273596 /nfs/dbraw/zinc/27/35/96/395273596.db2.gz FPYHYKOFPLRTFV-KRWDZBQOSA-N 2 0 274.408 2.611 20 0 CFADRP CCOc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647483071 395355931 /nfs/dbraw/zinc/35/59/31/395355931.db2.gz WXTDEWNGGPWQHR-UHFFFAOYSA-N 2 0 274.408 2.802 20 0 CFADRP Cc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1F ZINC000647483084 395356809 /nfs/dbraw/zinc/35/68/09/395356809.db2.gz XXWAILFIRGMHJO-UHFFFAOYSA-N 2 0 262.372 2.851 20 0 CFADRP C[NH2+]CC1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000647494187 395358279 /nfs/dbraw/zinc/35/82/79/395358279.db2.gz BYKRKQWEKNMNMO-UHFFFAOYSA-N 2 0 260.425 2.896 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H](C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647497598 395360058 /nfs/dbraw/zinc/36/00/58/395360058.db2.gz NMCFJMKCKQZBFM-WOSRLPQWSA-N 2 0 264.388 2.988 20 0 CFADRP CC[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647498817 395364435 /nfs/dbraw/zinc/36/44/35/395364435.db2.gz RIAVXBXJURVNBZ-RAQZUPNJSA-N 2 0 262.372 2.898 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647498879 395364670 /nfs/dbraw/zinc/36/46/70/395364670.db2.gz SNKSBDMEVLYCSF-ZFWWWQNUSA-N 2 0 298.377 2.890 20 0 CFADRP Cc1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543019 395385004 /nfs/dbraw/zinc/38/50/04/395385004.db2.gz GNSAHYFPQZSFNL-UONOGXRCSA-N 2 0 279.453 2.663 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543646 395385666 /nfs/dbraw/zinc/38/56/66/395385666.db2.gz QVKBSKLCKULCGY-IAGOWNOFSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543756 395386118 /nfs/dbraw/zinc/38/61/18/395386118.db2.gz RQWIUUFHRCZUOX-LSDHHAIUSA-N 2 0 277.412 2.503 20 0 CFADRP Fc1cccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647548733 395388082 /nfs/dbraw/zinc/38/80/82/395388082.db2.gz SCLKQZULXXFRCH-HLLBOEOZSA-N 2 0 276.399 2.736 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647549729 395388152 /nfs/dbraw/zinc/38/81/52/395388152.db2.gz OHGRSTMXPMDMDP-GVDBMIGSSA-N 2 0 288.435 2.952 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549288 395388366 /nfs/dbraw/zinc/38/83/66/395388366.db2.gz QTONFBRFBUDQFT-BRWVUGGUSA-N 2 0 288.435 2.742 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647548908 395388526 /nfs/dbraw/zinc/38/85/26/395388526.db2.gz AHIJDIBNQDXQDL-QBPKDAKJSA-N 2 0 270.420 2.694 20 0 CFADRP Cc1ccccc1C1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000647552475 395390364 /nfs/dbraw/zinc/39/03/64/395390364.db2.gz APAFLMWHOLKACH-HUUCEWRRSA-N 2 0 258.409 2.962 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000647989549 395473360 /nfs/dbraw/zinc/47/33/60/395473360.db2.gz CBPZNNIPFCVANG-KRWDZBQOSA-N 2 0 280.456 2.515 20 0 CFADRP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000647878672 395449822 /nfs/dbraw/zinc/44/98/22/395449822.db2.gz WYUALOBIFGWCNF-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000647880383 395449837 /nfs/dbraw/zinc/44/98/37/395449837.db2.gz RWGIFQISXJEYIS-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879881 395449980 /nfs/dbraw/zinc/44/99/80/395449980.db2.gz SYBJXPQXLWGSQT-DGCLKSJQSA-N 2 0 250.411 2.667 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(OC)c1 ZINC000647880385 395450004 /nfs/dbraw/zinc/45/00/04/395450004.db2.gz RWGIFQISXJEYIS-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000647878670 395450198 /nfs/dbraw/zinc/45/01/98/395450198.db2.gz WYUALOBIFGWCNF-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000647881009 395450860 /nfs/dbraw/zinc/45/08/60/395450860.db2.gz SNDXQDJIPMLBEQ-LBPRGKRZSA-N 2 0 272.314 2.747 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000647881578 395451743 /nfs/dbraw/zinc/45/17/43/395451743.db2.gz NWRFWICOLPNZLT-CRAIPNDOSA-N 2 0 272.436 2.865 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000647889385 395453507 /nfs/dbraw/zinc/45/35/07/395453507.db2.gz LVTLRQBOBCMANO-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890109 395454028 /nfs/dbraw/zinc/45/40/28/395454028.db2.gz QMUJKWOJSGERGU-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP COC[C@H]1CCCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647991168 395474080 /nfs/dbraw/zinc/47/40/80/395474080.db2.gz FJIYNDFYMYGBHH-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP CC1(C)C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000647991687 395474219 /nfs/dbraw/zinc/47/42/19/395474219.db2.gz YGDSNTOWKODOIN-WDEREUQCSA-N 2 0 264.335 2.506 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970626 395471060 /nfs/dbraw/zinc/47/10/60/395471060.db2.gz GROFPTLWBSAAAN-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP CCCN1Cc2cccc(NC(=O)CCC(C)(C)[NH3+])c2C1 ZINC000649312899 395471309 /nfs/dbraw/zinc/47/13/09/395471309.db2.gz HYCTYAHQVBTLJZ-UHFFFAOYSA-N 2 0 289.423 2.868 20 0 CFADRP FCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977870 395471749 /nfs/dbraw/zinc/47/17/49/395471749.db2.gz JFELNIKHSPJESC-HUUCEWRRSA-N 2 0 256.409 2.838 20 0 CFADRP CC(C)n1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977480 395471781 /nfs/dbraw/zinc/47/17/81/395471781.db2.gz CFVROGHZQVTCPV-JKSUJKDBSA-N 2 0 290.455 2.676 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647788548 395428741 /nfs/dbraw/zinc/42/87/41/395428741.db2.gz LWOMDWPPTBEBSS-BFYDXBDKSA-N 2 0 270.420 2.696 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788559 395429015 /nfs/dbraw/zinc/42/90/15/395429015.db2.gz LZMGFKQTLTUJNX-RCCFBDPRSA-N 2 0 288.435 2.701 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790084 395429571 /nfs/dbraw/zinc/42/95/71/395429571.db2.gz RFDYZCOGYWEBDD-SFFUCWETSA-N 2 0 270.420 2.595 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789454 395429615 /nfs/dbraw/zinc/42/96/15/395429615.db2.gz FWXXIFGBSYAFJW-ARFHVFGLSA-N 2 0 274.408 2.563 20 0 CFADRP c1ccc(C2CC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647791523 395429776 /nfs/dbraw/zinc/42/97/76/395429776.db2.gz GQPPMGSOUQJIFN-DPKKHUKBSA-N 2 0 270.420 2.910 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789833 395429861 /nfs/dbraw/zinc/42/98/61/395429861.db2.gz MFXOPCTUTLHDJK-BRSBDYLESA-N 3 0 293.499 2.619 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647792021 395430186 /nfs/dbraw/zinc/43/01/86/395430186.db2.gz RNBWDGZCDNJGHC-YESZJQIVSA-N 2 0 258.409 2.515 20 0 CFADRP Fc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(F)c1F ZINC000647793689 395430296 /nfs/dbraw/zinc/43/02/96/395430296.db2.gz FJKLOXDDYHOMBN-RWMBFGLXSA-N 2 0 298.352 2.624 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)OC ZINC000647792986 395430311 /nfs/dbraw/zinc/43/03/11/395430311.db2.gz GXWCYHTYFKUBNV-TWMKSMIVSA-N 2 0 282.472 2.805 20 0 CFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647792304 395430364 /nfs/dbraw/zinc/43/03/64/395430364.db2.gz YVWMCZXABNNSRU-GZBFAFLISA-N 2 0 270.376 2.911 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794399 395431172 /nfs/dbraw/zinc/43/11/72/395431172.db2.gz ZOXSSDFXVPHNIQ-BRWVUGGUSA-N 2 0 287.451 2.857 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794729 395431463 /nfs/dbraw/zinc/43/14/63/395431463.db2.gz BXKVWIYZTBPHBT-BIVLZKPYSA-N 2 0 280.456 2.558 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795043 395431925 /nfs/dbraw/zinc/43/19/25/395431925.db2.gz ILXJJGFZGXKXGQ-NNYUYHANSA-N 2 0 264.335 2.695 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795042 395432088 /nfs/dbraw/zinc/43/20/88/395432088.db2.gz ILXJJGFZGXKXGQ-IRCOFANPSA-N 2 0 264.335 2.695 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796739 395432521 /nfs/dbraw/zinc/43/25/21/395432521.db2.gz LTVPZRRZSMODQY-BZUAXINKSA-N 2 0 276.399 2.736 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000647797125 395432712 /nfs/dbraw/zinc/43/27/12/395432712.db2.gz ZMENFYSELXETLI-RNGXCGTMSA-N 2 0 280.456 2.558 20 0 CFADRP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647799569 395433571 /nfs/dbraw/zinc/43/35/71/395433571.db2.gz LCMWEDNXNIFBFQ-DRBLLZIRSA-N 2 0 274.383 2.601 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647799286 395433631 /nfs/dbraw/zinc/43/36/31/395433631.db2.gz CPRBHVODNNSJQU-BPKGMFCQSA-N 2 0 262.441 2.933 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798820 395433960 /nfs/dbraw/zinc/43/39/60/395433960.db2.gz XWPJEBNZAQKTDS-ZQDZILKHSA-N 2 0 288.460 2.854 20 0 CFADRP COc1ccccc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647802425 395435572 /nfs/dbraw/zinc/43/55/72/395435572.db2.gz KVLPOJXIXHMZCD-SOUVJXGZSA-N 2 0 286.419 2.662 20 0 CFADRP C[NH+](C)[C@@H](CNc1[nH+]ccc2[nH]ccc21)c1ccco1 ZINC000647846704 395444516 /nfs/dbraw/zinc/44/45/16/395444516.db2.gz OQZHSVKDFNMEJQ-ZDUSSCGKSA-N 2 0 270.336 2.871 20 0 CFADRP CN1CCC[C@@H]1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000649567365 395526115 /nfs/dbraw/zinc/52/61/15/395526115.db2.gz NUYZVEUUJOOJAG-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000649572332 395527985 /nfs/dbraw/zinc/52/79/85/395527985.db2.gz SGDGUCGNQKZEMS-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP Fc1cccc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1F ZINC000647995177 395475120 /nfs/dbraw/zinc/47/51/20/395475120.db2.gz CDWCKUDDUHSPJE-LBPRGKRZSA-N 2 0 280.362 2.754 20 0 CFADRP CC(C)Cn1nccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000648003331 395477274 /nfs/dbraw/zinc/47/72/74/395477274.db2.gz ZWNRJQGXKKZZHU-CQSZACIVSA-N 2 0 287.411 2.642 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000649965081 395596418 /nfs/dbraw/zinc/59/64/18/395596418.db2.gz YVDNWSPGRZGECS-QKPAOTATSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000037220310 543027353 /nfs/dbraw/zinc/02/73/53/543027353.db2.gz HVNJVPXXMKEEJJ-ZDUSSCGKSA-N 2 0 292.423 2.524 20 0 CFADRP CC(C)O[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000649699067 395553729 /nfs/dbraw/zinc/55/37/29/395553729.db2.gz IGLOPQAJHFJKDA-HOTGVXAUSA-N 2 0 268.445 2.750 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000649903669 395588679 /nfs/dbraw/zinc/58/86/79/395588679.db2.gz SQTQKHNEFJKGJO-OLZOCXBDSA-N 2 0 258.356 2.592 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000037565838 543030086 /nfs/dbraw/zinc/03/00/86/543030086.db2.gz UCOZGVRKUZSTTP-CZUORRHYSA-N 2 0 258.409 2.646 20 0 CFADRP C[C@@H]([NH2+]CCOCC1CCCC1)C1CC[NH+](C)CC1 ZINC000313268422 413094316 /nfs/dbraw/zinc/09/43/16/413094316.db2.gz LXJYJVKIMJXKKW-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000313415007 413096956 /nfs/dbraw/zinc/09/69/56/413096956.db2.gz SNTMCHVNIVUDJS-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000340353482 292077515 /nfs/dbraw/zinc/07/75/15/292077515.db2.gz MDMQJQCCRIADLP-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414944569 292097070 /nfs/dbraw/zinc/09/70/70/292097070.db2.gz QFIHZYJESCHALV-HLLBOEOZSA-N 2 0 260.425 2.904 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401006404 413160880 /nfs/dbraw/zinc/16/08/80/413160880.db2.gz JTPOHLXFFPPRLH-HRCADAONSA-N 2 0 274.408 2.563 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401112540 413161393 /nfs/dbraw/zinc/16/13/93/413161393.db2.gz HCFFUWPVZVAUEK-BRWVUGGUSA-N 2 0 258.409 2.597 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401014005 413159272 /nfs/dbraw/zinc/15/92/72/413159272.db2.gz IDPRDOPJGYCHBC-FRRDWIJNSA-N 2 0 250.411 2.534 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCCCC1 ZINC000335752816 292112937 /nfs/dbraw/zinc/11/29/37/292112937.db2.gz QWHZNXGFQXCUKM-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423152538 292117309 /nfs/dbraw/zinc/11/73/09/292117309.db2.gz LTBJNPJINBPCFG-GDBMZVCRSA-N 2 0 264.388 2.784 20 0 CFADRP COC1(C[NH2+]CCC[NH+]2CCCCC2)CCCCC1 ZINC000319848285 292121266 /nfs/dbraw/zinc/12/12/66/292121266.db2.gz KPWULTYVKBYADE-UHFFFAOYSA-N 2 0 268.445 2.801 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000160 397551390 /nfs/dbraw/zinc/55/13/90/397551390.db2.gz YCEYBAMOHYYVRC-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP CCC[N@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000127561326 397602327 /nfs/dbraw/zinc/60/23/27/397602327.db2.gz JKFZGYXBVWIEOB-UHFFFAOYSA-N 2 0 275.440 2.670 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000228534575 397624234 /nfs/dbraw/zinc/62/42/34/397624234.db2.gz RYDFLHNDXXDVRI-LYYZXLFJSA-N 2 0 250.430 2.872 20 0 CFADRP Cc1cccc2c(NCCC3(C[NH3+])CC3)c(C)c[nH+]c12 ZINC000650301945 397749446 /nfs/dbraw/zinc/74/94/46/397749446.db2.gz MKYDCPFBEWDCLN-UHFFFAOYSA-N 2 0 269.392 2.814 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCc2cccnc21 ZINC000650757541 397885119 /nfs/dbraw/zinc/88/51/19/397885119.db2.gz ZGLORJFASHZQIR-KRWDZBQOSA-N 2 0 281.403 2.968 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000650757441 397885201 /nfs/dbraw/zinc/88/52/01/397885201.db2.gz XGLKGJUZVPZYDT-BBWFWOEESA-N 2 0 288.435 2.699 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759990 397886164 /nfs/dbraw/zinc/88/61/64/397886164.db2.gz VBUBACGDMOJJTB-KCQAQPDRSA-N 2 0 261.413 2.519 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000650762522 397886912 /nfs/dbraw/zinc/88/69/12/397886912.db2.gz CODVCAVEMRBNQF-HOTGVXAUSA-N 2 0 250.430 2.935 20 0 CFADRP CCC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccn1 ZINC000650762657 397887310 /nfs/dbraw/zinc/88/73/10/397887310.db2.gz HCJQYTMPMZIZAR-OAHLLOKOSA-N 2 0 261.413 2.902 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCC4)C[C@H]21 ZINC000650702992 397859767 /nfs/dbraw/zinc/85/97/67/397859767.db2.gz DBMAJXMSYYKTFP-KBAYOESNSA-N 2 0 270.420 2.735 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705253 397860446 /nfs/dbraw/zinc/86/04/46/397860446.db2.gz AJKBZOMZHCCSSS-OKZBNKHCSA-N 2 0 288.435 2.713 20 0 CFADRP CC(C)CCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707659 397860896 /nfs/dbraw/zinc/86/08/96/397860896.db2.gz KLAYEMLTEJTABZ-ARFHVFGLSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC[NH2+]C1 ZINC000650708821 397861783 /nfs/dbraw/zinc/86/17/83/397861783.db2.gz OJONOOBYVNHQOW-SJORKVTESA-N 2 0 276.399 2.789 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000650763486 397887886 /nfs/dbraw/zinc/88/78/86/397887886.db2.gz BKZNSLAHNAJGNV-ZDUSSCGKSA-N 2 0 279.453 2.808 20 0 CFADRP c1ccc(Oc2cc(C[NH2+]CC3CC[NH2+]CC3)ccn2)cc1 ZINC000650710131 397862448 /nfs/dbraw/zinc/86/24/48/397862448.db2.gz FJJSIAFTFCZLTD-UHFFFAOYSA-N 2 0 297.402 2.963 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650711892 397863541 /nfs/dbraw/zinc/86/35/41/397863541.db2.gz HNWGRLVQRWBEGF-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000650711884 397864048 /nfs/dbraw/zinc/86/40/48/397864048.db2.gz HKCNDDJPNAPOBF-UHFFFAOYSA-N 2 0 288.313 2.804 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000650711783 397864052 /nfs/dbraw/zinc/86/40/52/397864052.db2.gz DIDVULASAPMLBO-UHFFFAOYSA-N 2 0 256.752 2.698 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)[C@H]1CC[NH3+] ZINC000650711809 397864058 /nfs/dbraw/zinc/86/40/58/397864058.db2.gz FBNAJYZIZISMRT-YPMHNXCESA-N 2 0 279.453 2.970 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712245 397864695 /nfs/dbraw/zinc/86/46/95/397864695.db2.gz XREDLMIZJWCYNE-BBRMVZONSA-N 2 0 278.444 2.722 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713305 397864983 /nfs/dbraw/zinc/86/49/83/397864983.db2.gz NOOUFICFJDYBRD-NVXWUHKLSA-N 2 0 293.499 2.748 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CN2 ZINC000650715102 397865462 /nfs/dbraw/zinc/86/54/62/397865462.db2.gz PGBWACIQBJSNGD-CIRFHOKZSA-N 2 0 285.435 2.534 20 0 CFADRP CCn1cc(C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C(C)C)cn1 ZINC000650715142 397865588 /nfs/dbraw/zinc/86/55/88/397865588.db2.gz RGSARVGUXMCUDA-GJZGRUSLSA-N 2 0 278.444 2.502 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716655 397866368 /nfs/dbraw/zinc/86/63/68/397866368.db2.gz FZYDRVNTGKUKTF-LLVKDONJSA-N 2 0 250.361 2.953 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC000650718461 397868142 /nfs/dbraw/zinc/86/81/42/397868142.db2.gz NMYJYLIRZDPDFB-UHFFFAOYSA-N 2 0 276.330 2.974 20 0 CFADRP C[NH2+]Cc1ccccc1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000650719267 397868200 /nfs/dbraw/zinc/86/82/00/397868200.db2.gz JUJBRDHCJUQTFW-UHFFFAOYSA-N 2 0 289.467 2.759 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000650718351 397868462 /nfs/dbraw/zinc/86/84/62/397868462.db2.gz IDFHTCHRJHPYSW-UHFFFAOYSA-N 2 0 258.340 2.835 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1N(C)C ZINC000650719625 397869171 /nfs/dbraw/zinc/86/91/71/397869171.db2.gz WUWCZWSCTTWCEI-UHFFFAOYSA-N 2 0 283.419 2.762 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000650719703 397869255 /nfs/dbraw/zinc/86/92/55/397869255.db2.gz ZXPKYZULCMVEHW-IRXDYDNUSA-N 2 0 276.424 2.699 20 0 CFADRP [NH3+]C1CCC([NH2+]CC[C@H]2CCc3ccccc3N2)CC1 ZINC000650720884 397869360 /nfs/dbraw/zinc/86/93/60/397869360.db2.gz FLBPPYFWUNASKH-UYSNPLJNSA-N 2 0 273.424 2.663 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650764171 397888574 /nfs/dbraw/zinc/88/85/74/397888574.db2.gz RMMKMQWAWJSIME-INIZCTEOSA-N 2 0 278.827 2.787 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000650763657 397888580 /nfs/dbraw/zinc/88/85/80/397888580.db2.gz GOSSXTWMMVDHGO-CVEARBPZSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccs2)C1 ZINC000650722493 397871092 /nfs/dbraw/zinc/87/10/92/397871092.db2.gz VTJVXYHKAVXVTA-YUELXQCFSA-N 2 0 280.437 2.609 20 0 CFADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1C ZINC000650722437 397871191 /nfs/dbraw/zinc/87/11/91/397871191.db2.gz STDCBNBLBQNCPN-UHFFFAOYSA-N 2 0 262.397 2.564 20 0 CFADRP CC(C)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650725038 397871258 /nfs/dbraw/zinc/87/12/58/397871258.db2.gz RVFRBUKDXMJWTH-XHSDSOJGSA-N 2 0 268.445 2.783 20 0 CFADRP CC[C@H](OCC[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000650741557 397875325 /nfs/dbraw/zinc/87/53/25/397875325.db2.gz GLJYHGREGZEBFN-PMPSAXMXSA-N 2 0 262.397 2.624 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740957 397875761 /nfs/dbraw/zinc/87/57/61/397875761.db2.gz VCGMTQONEKRKEE-BBRMVZONSA-N 2 0 276.399 2.964 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000650741645 397876061 /nfs/dbraw/zinc/87/60/61/397876061.db2.gz IMOMWINRWGPNAJ-ZVDSWSACSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000650742380 397876442 /nfs/dbraw/zinc/87/64/42/397876442.db2.gz WQMPNEXIEJMAMS-XLNGHYISSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650744611 397878097 /nfs/dbraw/zinc/87/80/97/397878097.db2.gz RTMUDRGPXOZKAE-VIFPVBQESA-N 2 0 253.415 2.540 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2cccn2)cc1 ZINC000650744358 397878211 /nfs/dbraw/zinc/87/82/11/397878211.db2.gz MKHDIBNDEXFRCL-CQSZACIVSA-N 2 0 284.407 2.652 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000650744517 397878384 /nfs/dbraw/zinc/87/83/84/397878384.db2.gz OXZCITZDCHDWDO-OAHLLOKOSA-N 2 0 298.434 2.711 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000650745988 397878733 /nfs/dbraw/zinc/87/87/33/397878733.db2.gz SVKOIYORJNRLGL-HNNXBMFYSA-N 2 0 262.372 2.922 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000650745421 397878965 /nfs/dbraw/zinc/87/89/65/397878965.db2.gz GOSPMRZBKXWUSV-AWEZNQCLSA-N 2 0 278.371 2.758 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)s1 ZINC000650745897 397879076 /nfs/dbraw/zinc/87/90/76/397879076.db2.gz QLIWDVAYUXVSAP-SECBINFHSA-N 2 0 253.415 2.540 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747833 397880265 /nfs/dbraw/zinc/88/02/65/397880265.db2.gz IPCIZBJIJPUVCU-POZUXBRTSA-N 2 0 295.430 2.571 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650754947 397884012 /nfs/dbraw/zinc/88/40/12/397884012.db2.gz VLINFXSALGCTGZ-JKSUJKDBSA-N 2 0 292.398 2.722 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]C1CCC(COC)CC1 ZINC000650755986 397884566 /nfs/dbraw/zinc/88/45/66/397884566.db2.gz RDTFBRRIMPZYPY-UHFFFAOYSA-N 2 0 276.424 2.701 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000429517750 292126590 /nfs/dbraw/zinc/12/65/90/292126590.db2.gz HBJQVGDJWCXTEM-RRFJBIMHSA-N 2 0 266.429 2.551 20 0 CFADRP COC1([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC000421831465 292148583 /nfs/dbraw/zinc/14/85/83/292148583.db2.gz LJQZLQMAQYFOKN-ZNMIVQPWSA-N 2 0 268.445 2.797 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(OC)c1 ZINC000404283237 413193784 /nfs/dbraw/zinc/19/37/84/413193784.db2.gz QTEXMKSTSFBBRN-XJKSGUPXSA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404396901 413201665 /nfs/dbraw/zinc/20/16/65/413201665.db2.gz OZGMKOBUZOFYJL-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP Clc1ccc2nccc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000663428347 413202736 /nfs/dbraw/zinc/20/27/36/413202736.db2.gz INNUANULGZMCTB-GFCCVEGCSA-N 2 0 287.794 2.959 20 0 CFADRP CC(C)O[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000404556201 413205999 /nfs/dbraw/zinc/20/59/99/413205999.db2.gz ZKCSSMJAIKEPFI-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)[C@H]1CC[NH3+] ZINC000404433507 413206910 /nfs/dbraw/zinc/20/69/10/413206910.db2.gz PXOPMLNUIBBQTP-QAPCUYQASA-N 2 0 298.434 2.822 20 0 CFADRP C[NH+](C)CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356129076 155169024 /nfs/dbraw/zinc/16/90/24/155169024.db2.gz QQVLYIUTNJIGGV-UHFFFAOYSA-N 2 0 258.768 2.563 20 0 CFADRP CCOC1CC(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000367222367 286012181 /nfs/dbraw/zinc/01/21/81/286012181.db2.gz CFEQNJIEMPRDOT-KLAILNCOSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404987515 413220056 /nfs/dbraw/zinc/22/00/56/413220056.db2.gz FHHRELOVHYAZGC-CABCVRRESA-N 2 0 258.409 2.648 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467500 413222498 /nfs/dbraw/zinc/22/24/98/413222498.db2.gz GGAJVJPPBDXOOK-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423553147 286024907 /nfs/dbraw/zinc/02/49/07/286024907.db2.gz VPVTYVNPVHCSMP-JWYNJWGYSA-N 2 0 288.435 2.740 20 0 CFADRP CC1(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCC1 ZINC000656785777 413224521 /nfs/dbraw/zinc/22/45/21/413224521.db2.gz JPIDQGPQMMALDW-OAHLLOKOSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786472 286033241 /nfs/dbraw/zinc/03/32/41/286033241.db2.gz RQMNJIJHCYKUDM-GJZGRUSLSA-N 2 0 268.445 2.797 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785132 413225771 /nfs/dbraw/zinc/22/57/71/413225771.db2.gz JGGQJPRUEFLITN-AWEZNQCLSA-N 2 0 293.480 2.917 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000422947294 286048584 /nfs/dbraw/zinc/04/85/84/286048584.db2.gz YCZRUUPYJNHQEN-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466315 413226303 /nfs/dbraw/zinc/22/63/03/413226303.db2.gz QYIFMAVVHTZXFH-YYIAUSFCSA-N 2 0 262.441 2.887 20 0 CFADRP CO[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1(C)C ZINC000451553769 286058964 /nfs/dbraw/zinc/05/89/64/286058964.db2.gz OQZBFBGNOVNKRC-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423118364 292193301 /nfs/dbraw/zinc/19/33/01/292193301.db2.gz AEXCMQCLPIWODK-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C3CCC3)CC2)CC[NH2+]1 ZINC000656787580 413228303 /nfs/dbraw/zinc/22/83/03/413228303.db2.gz NWKOBSHVWQUDIO-KBPBESRZSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1nccn1C ZINC000663468766 413228362 /nfs/dbraw/zinc/22/83/62/413228362.db2.gz MQFISUINICLWCE-HOTGVXAUSA-N 2 0 290.455 2.583 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128638976 292196044 /nfs/dbraw/zinc/19/60/44/292196044.db2.gz JFRVMNJDNFOQQU-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP Cc1cc(N)cc(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000656786806 413230004 /nfs/dbraw/zinc/23/00/04/413230004.db2.gz QWZHQTOXAFAIPO-UHFFFAOYSA-N 2 0 281.403 2.513 20 0 CFADRP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(C2CCCC2)c1 ZINC000656787335 413230227 /nfs/dbraw/zinc/23/02/27/413230227.db2.gz XVOHBYHIWNILGG-HDICACEKSA-N 2 0 270.420 2.995 20 0 CFADRP c1ccc([C@@H]2CCCC[C@@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423305241 296616551 /nfs/dbraw/zinc/61/65/51/296616551.db2.gz QCPXBJJZIAHKCJ-IAGOWNOFSA-N 2 0 258.409 2.912 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@H](C)C1 ZINC000660305280 413232685 /nfs/dbraw/zinc/23/26/85/413232685.db2.gz JZXHMHIIFXRQCC-WBVHZDCISA-N 2 0 280.456 2.679 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCC1 ZINC000656789120 413233509 /nfs/dbraw/zinc/23/35/09/413233509.db2.gz JVOVMNZDYZTZQC-AWEZNQCLSA-N 2 0 264.800 2.668 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000356341687 155233426 /nfs/dbraw/zinc/23/34/26/155233426.db2.gz PSUMBIKPHIXADQ-WMZOPIPTSA-N 2 0 293.499 2.548 20 0 CFADRP CC(C)[NH+](CCN(C)CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000356347064 155234936 /nfs/dbraw/zinc/23/49/36/155234936.db2.gz CAMLDJHYUGQNGH-QGZVFWFLSA-N 2 0 283.504 2.911 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C[C@H]2C1 ZINC000424268477 286113124 /nfs/dbraw/zinc/11/31/24/286113124.db2.gz LIDGICWGYUQBAT-MQSRZLSVSA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000663493506 413240219 /nfs/dbraw/zinc/24/02/19/413240219.db2.gz IMNKAFAEXCOEPZ-ZTFGCOKTSA-N 2 0 289.467 2.645 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415115598 413241291 /nfs/dbraw/zinc/24/12/91/413241291.db2.gz YOCHIBYTRBSYLW-ZJIFWQFVSA-N 2 0 268.445 2.844 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663498225 413241104 /nfs/dbraw/zinc/24/11/04/413241104.db2.gz NAUXJAXQMOFIPH-MRXNPFEDSA-N 2 0 286.423 2.848 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663499018 413244663 /nfs/dbraw/zinc/24/46/63/413244663.db2.gz UYVYVWQCIICPIS-OOHWJJMZSA-N 2 0 258.409 2.658 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000663498978 413247032 /nfs/dbraw/zinc/24/70/32/413247032.db2.gz WZCBWFCMWKYFRL-OAHLLOKOSA-N 2 0 275.371 2.837 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000663498449 413246685 /nfs/dbraw/zinc/24/66/85/413246685.db2.gz CQCVOCPDOFXPMV-NHZBNJEXSA-N 2 0 268.351 2.941 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449227027 286198600 /nfs/dbraw/zinc/19/86/00/286198600.db2.gz ZKPFKUPVLFQNSS-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC12CCC2 ZINC000449227025 286198835 /nfs/dbraw/zinc/19/88/35/286198835.db2.gz ZKPFKUPVLFQNSS-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000420937966 413247875 /nfs/dbraw/zinc/24/78/75/413247875.db2.gz MAUFRYDBGOVULF-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH2+]C[C@@H](C)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000663508799 413254750 /nfs/dbraw/zinc/25/47/50/413254750.db2.gz DUUFLMUKLRYQJV-CYBMUJFWSA-N 2 0 295.858 2.502 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000127666814 292246923 /nfs/dbraw/zinc/24/69/23/292246923.db2.gz UCMOHMCMTYFYPF-IRXDYDNUSA-N 2 0 289.467 2.590 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC[NH2+]CC1 ZINC000414978817 292247314 /nfs/dbraw/zinc/24/73/14/292247314.db2.gz TZPITGOPXCHKBF-LSDHHAIUSA-N 2 0 282.472 2.807 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1(C)C ZINC000355035244 286279083 /nfs/dbraw/zinc/27/90/83/286279083.db2.gz HYRMNLMPZSDAGO-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH2+]C[C@H](C)N[C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000663514159 413257639 /nfs/dbraw/zinc/25/76/39/413257639.db2.gz NSCRHICTBMPIJE-NEPJUHHUSA-N 2 0 286.366 2.807 20 0 CFADRP COCC1CCC([NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000449089182 292264477 /nfs/dbraw/zinc/26/44/77/292264477.db2.gz JUAWKLRXHHBDDE-FHERZECASA-N 2 0 268.445 2.513 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000449173572 292265529 /nfs/dbraw/zinc/26/55/29/292265529.db2.gz ODDMOYCCTYEURP-QDIHITRGSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000347000624 286333128 /nfs/dbraw/zinc/33/31/28/286333128.db2.gz ZQHVWLYDZRPBEG-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356825772 155381858 /nfs/dbraw/zinc/38/18/58/155381858.db2.gz ASFJZSKZPLZNNJ-JYJNAYRXSA-N 2 0 270.461 2.902 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261568730 292282014 /nfs/dbraw/zinc/28/20/14/292282014.db2.gz LCLKXGFDRBRKAC-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cc(CO)cc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000663577613 413276306 /nfs/dbraw/zinc/27/63/06/413276306.db2.gz OGGBQDNPSVWEAT-OKILXGFUSA-N 2 0 277.412 2.557 20 0 CFADRP Fc1c(C[NH+]2CCCC2)cccc1C1=CCC[NH2+]C1 ZINC001240671750 782003701 /nfs/dbraw/zinc/00/37/01/782003701.db2.gz XLLDCYGUZGGTGF-UHFFFAOYSA-N 2 0 260.356 2.798 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919594 286395580 /nfs/dbraw/zinc/39/55/80/286395580.db2.gz KCNDWHCDSKVAHM-XUWVNRHRSA-N 2 0 280.456 2.844 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C1(CC)CC ZINC000423410287 286398742 /nfs/dbraw/zinc/39/87/42/286398742.db2.gz ZURLALBOVSKRGO-LJISPDSOSA-N 2 0 268.445 2.558 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cnc3ccc(C)cn23)C1(C)C ZINC000345700069 154244639 /nfs/dbraw/zinc/24/46/39/154244639.db2.gz JJECYMUGSVYZCN-UHOFOFEASA-N 2 0 287.407 2.792 20 0 CFADRP CSC1(C[NH2+][C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000348069218 154304950 /nfs/dbraw/zinc/30/49/50/154304950.db2.gz FGTXICUWBDCLJY-AWEZNQCLSA-N 2 0 268.470 2.736 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c(F)cn1 ZINC000348115602 154326582 /nfs/dbraw/zinc/32/65/82/154326582.db2.gz HZWYTZCLOMIPMF-GFCCVEGCSA-N 2 0 295.402 2.612 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000348127450 154330257 /nfs/dbraw/zinc/33/02/57/154330257.db2.gz RYSVRCVPCQVJEY-OAGGEKHMSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+]CCCC2CCCCC2)CC1 ZINC000348125094 154330795 /nfs/dbraw/zinc/33/07/95/154330795.db2.gz YACQIJHOINSTRD-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348227423 154370118 /nfs/dbraw/zinc/37/01/18/154370118.db2.gz DJINPUWSLZJZEX-NBOOPKSLSA-N 2 0 290.451 2.646 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348245765 154377804 /nfs/dbraw/zinc/37/78/04/154377804.db2.gz OXVDHWLANGTWSV-KSZLIROESA-N 2 0 290.451 2.737 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCCC1 ZINC000422892599 292309056 /nfs/dbraw/zinc/30/90/56/292309056.db2.gz YWGNFEGXLHZJQX-GJZGRUSLSA-N 2 0 268.445 2.690 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534772 154603129 /nfs/dbraw/zinc/60/31/29/154603129.db2.gz IZLALMNRMFMTQI-GOSISDBHSA-N 2 0 288.435 2.833 20 0 CFADRP COCCCC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178965790 292319996 /nfs/dbraw/zinc/31/99/96/292319996.db2.gz FCNKNHGSYDEXMA-UHFFFAOYSA-N 2 0 290.451 2.915 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355650316 155054718 /nfs/dbraw/zinc/05/47/18/155054718.db2.gz NAFTXJOYRLFNOP-AWEZNQCLSA-N 2 0 277.412 2.648 20 0 CFADRP CCSCC[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000355752383 155075908 /nfs/dbraw/zinc/07/59/08/155075908.db2.gz NTKXYVAFHRUZPS-CQSZACIVSA-N 2 0 258.475 2.841 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000355763098 155079625 /nfs/dbraw/zinc/07/96/25/155079625.db2.gz FKFXKYUTTBKMQG-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP [NH3+]CCOCC[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000357095065 155496903 /nfs/dbraw/zinc/49/69/03/155496903.db2.gz ZWDINDQHSPLYKC-UHFFFAOYSA-N 2 0 298.430 2.995 20 0 CFADRP COCCCC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086754 292325760 /nfs/dbraw/zinc/32/57/60/292325760.db2.gz NYGQTWNBWNRDLY-PBHICJAKSA-N 2 0 276.424 2.742 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503926 155785384 /nfs/dbraw/zinc/78/53/84/155785384.db2.gz GFZILWBATHRMIR-UHFFFAOYSA-N 2 0 288.435 2.703 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccsc2)O1 ZINC000359186199 156017243 /nfs/dbraw/zinc/01/72/43/156017243.db2.gz HEMQRUXERCLHSF-CZUORRHYSA-N 2 0 294.464 2.900 20 0 CFADRP C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1cncc(F)c1 ZINC000361129160 156068166 /nfs/dbraw/zinc/06/81/66/156068166.db2.gz DHAHSUNZUIHPED-SWLSCSKDSA-N 2 0 265.376 2.746 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000362803467 156088796 /nfs/dbraw/zinc/08/87/96/156088796.db2.gz UYTGVLUFXPBGQF-OWSLCNJRSA-N 2 0 292.467 2.822 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362923559 156116082 /nfs/dbraw/zinc/11/60/82/156116082.db2.gz KIWDEQZSEQFSDM-HNNXBMFYSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363812348 156194953 /nfs/dbraw/zinc/19/49/53/156194953.db2.gz DAQNJYWJABTXTR-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CCC[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000363866662 156201559 /nfs/dbraw/zinc/20/15/59/156201559.db2.gz QLUJPIZGOIBWDT-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCCC2 ZINC000085681069 286537404 /nfs/dbraw/zinc/53/74/04/286537404.db2.gz JJHKSQUXLYHCPB-WUCCLRPBSA-N 2 0 266.429 2.584 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](CO)c3ccccc32)[C@H](C)C1 ZINC000364951228 156225575 /nfs/dbraw/zinc/22/55/75/156225575.db2.gz FEWXHNOPVLZUAO-IDCJVQTKSA-N 2 0 288.435 2.527 20 0 CFADRP Cc1cncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366888829 156251871 /nfs/dbraw/zinc/25/18/71/156251871.db2.gz VSSOTFMVXFWWOL-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C([C@H]1CCSC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000366914543 156254537 /nfs/dbraw/zinc/25/45/37/156254537.db2.gz WTDIUYSRZYQFIJ-OAHLLOKOSA-N 2 0 268.470 2.547 20 0 CFADRP CC(C)c1nc(CN2CCCC3(CC[NH+](C)CC3)C2)no1 ZINC000366914525 156254778 /nfs/dbraw/zinc/25/47/78/156254778.db2.gz PWPWRLOSECQDHN-UHFFFAOYSA-N 2 0 292.427 2.501 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000366956164 156260705 /nfs/dbraw/zinc/26/07/05/156260705.db2.gz SWCVLEGEODZOQX-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP Cc1cc(N2CCC([N@H+](C)CCCCF)CC2)nc(C)n1 ZINC000367133687 156285642 /nfs/dbraw/zinc/28/56/42/156285642.db2.gz PBJDYWFXNDCZIA-UHFFFAOYSA-N 2 0 294.418 2.744 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCCCF)CC2)C1CC1 ZINC000367133495 156285874 /nfs/dbraw/zinc/28/58/74/156285874.db2.gz NIAKFOMPKKMAKU-CQSZACIVSA-N 2 0 268.420 2.932 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)CC3CCCC3)C2)CC1 ZINC000367202463 156297237 /nfs/dbraw/zinc/29/72/37/156297237.db2.gz ZXSPPZKGZCTKDA-QGZVFWFLSA-N 2 0 294.483 2.735 20 0 CFADRP CC(C)OCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367309201 156310510 /nfs/dbraw/zinc/31/05/10/156310510.db2.gz HBVSBDDDUYWKSV-HNNXBMFYSA-N 2 0 280.456 2.608 20 0 CFADRP Cc1cc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)on1 ZINC000367592389 156355391 /nfs/dbraw/zinc/35/53/91/156355391.db2.gz CNKAQEQRAPBAGL-UHFFFAOYSA-N 2 0 277.412 2.522 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367587904 156356233 /nfs/dbraw/zinc/35/62/33/156356233.db2.gz KOCPPSBZVTTZDE-KSZLIROESA-N 2 0 288.435 2.700 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H](C)C1 ZINC000367606032 156359597 /nfs/dbraw/zinc/35/95/97/156359597.db2.gz JGBGIGQICRYKKR-HOTGVXAUSA-N 2 0 287.451 2.823 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2)[C@H]2CCC[C@H]21 ZINC000367612851 156362164 /nfs/dbraw/zinc/36/21/64/156362164.db2.gz BKXCHIBAKMNEEG-FGTMMUONSA-N 2 0 287.451 2.951 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2)[C@H]2CCC[C@@H]21 ZINC000367614720 156363829 /nfs/dbraw/zinc/36/38/29/156363829.db2.gz IAEFXCNWFLYDAR-RDBSUJKOSA-N 2 0 250.411 2.711 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000370589282 156703016 /nfs/dbraw/zinc/70/30/16/156703016.db2.gz PIIHBPPGLBZUKK-HOCLYGCPSA-N 2 0 261.413 2.649 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCC23CCOCC3)c1 ZINC000374320882 157100327 /nfs/dbraw/zinc/10/03/27/157100327.db2.gz NPCHWVYKZVPZQA-KRWDZBQOSA-N 2 0 288.435 2.797 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000374526438 157124529 /nfs/dbraw/zinc/12/45/29/157124529.db2.gz IJVWQIUPEHOXCG-HPFXQQBRSA-N 2 0 290.451 2.910 20 0 CFADRP CC1=C(c2ccco2)C[N@H+](CCn2ccnc2)CC1 ZINC000374537048 157126373 /nfs/dbraw/zinc/12/63/73/157126373.db2.gz KUUHOCOTNUAWRW-UHFFFAOYSA-N 2 0 257.337 2.656 20 0 CFADRP C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375454109 157246844 /nfs/dbraw/zinc/24/68/44/157246844.db2.gz SQFYCLUURMQSLN-SQNIBIBYSA-N 2 0 294.483 2.878 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC000375901929 157302809 /nfs/dbraw/zinc/30/28/09/157302809.db2.gz DFTONKIOVPCXAE-SFHVURJKSA-N 2 0 293.499 2.667 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000375896613 157303103 /nfs/dbraw/zinc/30/31/03/157303103.db2.gz YLWMAAROODQAIQ-CWRNSKLLSA-N 2 0 280.362 2.927 20 0 CFADRP COCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000375898539 157303456 /nfs/dbraw/zinc/30/34/56/157303456.db2.gz ULMNYONKXNLBLJ-UHFFFAOYSA-N 2 0 276.424 2.666 20 0 CFADRP CCc1nc(C)cc(N2CCC[C@@H](Cc3nccn3C)C2)n1 ZINC000376399772 157350163 /nfs/dbraw/zinc/35/01/63/157350163.db2.gz YWPWNLBHJCWPFO-AWEZNQCLSA-N 2 0 299.422 2.540 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(CCCCO2)C1 ZINC000376467032 157358790 /nfs/dbraw/zinc/35/87/90/157358790.db2.gz CDHVYXCOUDRBGZ-JKSUJKDBSA-N 2 0 266.429 2.506 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651228236 413357732 /nfs/dbraw/zinc/35/77/32/413357732.db2.gz CKMSVDXKCLJAKG-GJZGRUSLSA-N 2 0 281.488 2.569 20 0 CFADRP COCCC[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000178294581 292382103 /nfs/dbraw/zinc/38/21/03/292382103.db2.gz JUQRXRHNDXZWSO-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660537399 413379097 /nfs/dbraw/zinc/37/90/97/413379097.db2.gz BPVMYBLIOZBTQB-XWTMOSNGSA-N 2 0 293.499 2.523 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542304 413385154 /nfs/dbraw/zinc/38/51/54/413385154.db2.gz NBUOPEDGIKRLTA-AQPDWMJNSA-N 2 0 262.441 2.980 20 0 CFADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660548776 413387580 /nfs/dbraw/zinc/38/75/80/413387580.db2.gz FSEATYIGUSSWSN-XWTMOSNGSA-N 2 0 293.499 2.523 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CO1 ZINC000657297298 413414004 /nfs/dbraw/zinc/41/40/04/413414004.db2.gz HJKICLAZOBWKJP-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1CC1(C)C ZINC000342412824 161623847 /nfs/dbraw/zinc/62/38/47/161623847.db2.gz HHGDPZMVBIHEMB-UKRRQHHQSA-N 2 0 291.439 2.546 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCSCC1 ZINC000136363152 286892756 /nfs/dbraw/zinc/89/27/56/286892756.db2.gz AQEYRKDSHWTREA-GXTWGEPZSA-N 2 0 256.459 2.782 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000660617285 413434454 /nfs/dbraw/zinc/43/44/54/413434454.db2.gz WRHMKQGKOLDWON-GXTWGEPZSA-N 2 0 260.372 2.695 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1c(C)nn(C)c1C ZINC000422798980 286900961 /nfs/dbraw/zinc/90/09/61/286900961.db2.gz UMMSHJRYOVIVMZ-YMAMQOFZSA-N 2 0 278.444 2.595 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000660624039 413440025 /nfs/dbraw/zinc/44/00/25/413440025.db2.gz UVKJUPWVZZMUHM-QZTJIDSGSA-N 2 0 290.451 2.567 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@](C)(O)C2CC2)C1 ZINC000344405839 162035386 /nfs/dbraw/zinc/03/53/86/162035386.db2.gz HLCPRYXJQRKJSR-ZTFGCOKTSA-N 2 0 288.435 2.573 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)cn1 ZINC000344474361 162051011 /nfs/dbraw/zinc/05/10/11/162051011.db2.gz ZUOGXOHYVXQPOV-GOSISDBHSA-N 2 0 296.418 2.539 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000344579529 162072000 /nfs/dbraw/zinc/07/20/00/162072000.db2.gz IOWPQAZAJRLSCL-UHFFFAOYSA-N 2 0 298.471 2.915 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000344611709 162080824 /nfs/dbraw/zinc/08/08/24/162080824.db2.gz MKUBBHDMPJBGNE-VXGBXAGGSA-N 2 0 250.411 2.771 20 0 CFADRP CC(C)c1ncc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000344686432 162096800 /nfs/dbraw/zinc/09/68/00/162096800.db2.gz RQFARVHFNCFQSG-NEPJUHHUSA-N 2 0 267.442 2.839 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180497512 286919755 /nfs/dbraw/zinc/91/97/55/286919755.db2.gz WCDPUWUTSUXSLE-WMLDXEAASA-N 2 0 293.430 2.502 20 0 CFADRP COCc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)o1 ZINC000344838783 162131361 /nfs/dbraw/zinc/13/13/61/162131361.db2.gz OZUGYZKKPILVIU-UHFFFAOYSA-N 2 0 280.412 2.636 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CCC(F)(F)F ZINC000346147613 162332333 /nfs/dbraw/zinc/33/23/33/162332333.db2.gz JIOLHJMDJMWSFA-UHFFFAOYSA-N 2 0 298.312 2.960 20 0 CFADRP Cc1cc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc2cccnc12 ZINC000346221026 162354338 /nfs/dbraw/zinc/35/43/38/162354338.db2.gz NOJUKCLFROKIPF-IRXDYDNUSA-N 2 0 281.403 2.727 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000346336867 162387196 /nfs/dbraw/zinc/38/71/96/162387196.db2.gz PVGIPVAQAPZXGR-MGPQQGTHSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000346499771 162430111 /nfs/dbraw/zinc/43/01/11/162430111.db2.gz YJNDMIWRGMEZFT-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP CCn1nc(C)c(CN(C)C2CC[NH+](C(C)C)CC2)c1C ZINC000349789842 163015628 /nfs/dbraw/zinc/01/56/28/163015628.db2.gz GUSDXXFYRIZSJR-UHFFFAOYSA-N 2 0 292.471 2.824 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2sccc2OC)CC1 ZINC000350005985 163050204 /nfs/dbraw/zinc/05/02/04/163050204.db2.gz OFTNQZRIQCYWAZ-UHFFFAOYSA-N 2 0 268.426 2.673 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000350183341 163065016 /nfs/dbraw/zinc/06/50/16/163065016.db2.gz GRUHIQDQFLVTMB-UHFFFAOYSA-N 2 0 278.444 2.580 20 0 CFADRP CCc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000350183907 163066577 /nfs/dbraw/zinc/06/65/77/163066577.db2.gz KNFKJARPHCOPEB-UHFFFAOYSA-N 2 0 250.386 2.616 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000351414416 163128316 /nfs/dbraw/zinc/12/83/16/163128316.db2.gz NDSZSLLXBSQMSI-GJZGRUSLSA-N 2 0 296.455 2.524 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]12 ZINC000351489470 163132964 /nfs/dbraw/zinc/13/29/64/163132964.db2.gz HGAVZXACRFTHBJ-NUEKZKHPSA-N 2 0 299.443 2.979 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)c1ccc(F)cc1 ZINC000351546787 163144087 /nfs/dbraw/zinc/14/40/87/163144087.db2.gz ZZUBHVPMOGKUQA-IRXDYDNUSA-N 2 0 294.414 2.568 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351548288 163146026 /nfs/dbraw/zinc/14/60/26/163146026.db2.gz QCHRWZXCNDRMQD-GOSISDBHSA-N 3 0 295.515 2.915 20 0 CFADRP CCc1nocc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000351662482 163169878 /nfs/dbraw/zinc/16/98/78/163169878.db2.gz YPCLFZGRXRCPOB-CQSZACIVSA-N 2 0 277.412 2.545 20 0 CFADRP C[C@H]([NH2+]CCCCF)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351716545 163181045 /nfs/dbraw/zinc/18/10/45/163181045.db2.gz AGXKDYOYMPVSKN-UONOGXRCSA-N 2 0 256.409 2.979 20 0 CFADRP CCc1nocc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351810946 163196957 /nfs/dbraw/zinc/19/69/57/163196957.db2.gz OICBEPOBDLLLKU-GUYCJALGSA-N 2 0 289.423 2.686 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000351863138 163205221 /nfs/dbraw/zinc/20/52/21/163205221.db2.gz SATHSJIPLNPUSF-GXTWGEPZSA-N 2 0 287.432 2.979 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000351863139 163205294 /nfs/dbraw/zinc/20/52/94/163205294.db2.gz SATHSJIPLNPUSF-JSGCOSHPSA-N 2 0 287.432 2.979 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000352834736 163246830 /nfs/dbraw/zinc/24/68/30/163246830.db2.gz ITTOOOAXTHDFDH-WBVHZDCISA-N 2 0 293.499 2.594 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000352834735 163248632 /nfs/dbraw/zinc/24/86/32/163248632.db2.gz ITTOOOAXTHDFDH-RDJZCZTQSA-N 2 0 293.499 2.594 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352839170 163249806 /nfs/dbraw/zinc/24/98/06/163249806.db2.gz IJTBEJVFJWXEOF-AEFFLSMTSA-N 2 0 293.499 2.596 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000353035963 163293285 /nfs/dbraw/zinc/29/32/85/163293285.db2.gz PYIIHOQTPMZSBN-SWLSCSKDSA-N 2 0 264.438 2.589 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000353392649 163358016 /nfs/dbraw/zinc/35/80/16/163358016.db2.gz GYFZGQSRENHISL-IXDOHACOSA-N 2 0 292.398 2.667 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353439364 163365794 /nfs/dbraw/zinc/36/57/94/163365794.db2.gz WVIJABOJXSQNLQ-BRWVUGGUSA-N 2 0 258.409 2.957 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000353449070 163366909 /nfs/dbraw/zinc/36/69/09/163366909.db2.gz MJSHZUURCOOHOF-KRWDZBQOSA-N 2 0 275.440 2.596 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000353506825 163379611 /nfs/dbraw/zinc/37/96/11/163379611.db2.gz ADXICWGTQXXCNV-HFTRVMKXSA-N 2 0 294.483 2.638 20 0 CFADRP Cc1ccc2nc(C[NH2+]C3CCC([NH+](C)C)CC3)cn2c1 ZINC000353512060 163383162 /nfs/dbraw/zinc/38/31/62/163383162.db2.gz CQLPHKCXYBUKHD-UHFFFAOYSA-N 2 0 286.423 2.605 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353556873 163392658 /nfs/dbraw/zinc/39/26/58/163392658.db2.gz GKHHXMDOZRYRNS-HOTGVXAUSA-N 2 0 287.451 2.884 20 0 CFADRP CN(CCC[N@H+](C)Cc1ccco1)CC[C@H]1CCC[NH+]1C ZINC000353579844 163398882 /nfs/dbraw/zinc/39/88/82/163398882.db2.gz XLNROLXUAJNOMO-MRXNPFEDSA-N 2 0 293.455 2.518 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000353929424 163485555 /nfs/dbraw/zinc/48/55/55/163485555.db2.gz MIAHNGIZLXNMLC-UHFFFAOYSA-N 2 0 298.471 2.677 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340475311 287022034 /nfs/dbraw/zinc/02/20/34/287022034.db2.gz YBPLMPAXFQUJCY-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]([NH2+]CCn1c2ccccc2c2ccccc21)C1C[NH2+]C1 ZINC000423037205 287030273 /nfs/dbraw/zinc/03/02/73/287030273.db2.gz VSYWCOLTPAYJAF-CQSZACIVSA-N 2 0 293.414 2.992 20 0 CFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423101630 287038472 /nfs/dbraw/zinc/03/84/72/287038472.db2.gz WDYBUHVIXACJSL-OIISXLGYSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H]1Oc2ccccc2[C@H]1C ZINC000422918664 287048673 /nfs/dbraw/zinc/04/86/73/287048673.db2.gz IASUMPCCKMBDOP-LVYCXYHQSA-N 2 0 262.397 2.655 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423162941 287072937 /nfs/dbraw/zinc/07/29/37/287072937.db2.gz VAPZZFPZTLBXSH-WRQOLXDDSA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423413447 287107556 /nfs/dbraw/zinc/10/75/56/287107556.db2.gz KNGVENQXTPQNGT-FZKCQIBNSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000651453595 413472599 /nfs/dbraw/zinc/47/25/99/413472599.db2.gz YQSFBXSELWJTCQ-AWEZNQCLSA-N 2 0 278.415 2.997 20 0 CFADRP CC(C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284409224 196048131 /nfs/dbraw/zinc/04/81/31/196048131.db2.gz QJXISUKRWHVRNH-UHFFFAOYSA-N 2 0 262.397 2.658 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000020128492 171015089 /nfs/dbraw/zinc/01/50/89/171015089.db2.gz OHWOCOCAGAZTSP-INIZCTEOSA-N 2 0 289.467 2.537 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1F ZINC000020129156 171017265 /nfs/dbraw/zinc/01/72/65/171017265.db2.gz JPBVQPCQCLTEGH-ZDUSSCGKSA-N 2 0 280.387 2.971 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000020147542 171034658 /nfs/dbraw/zinc/03/46/58/171034658.db2.gz BHKFWEBSGWNNSL-OAHLLOKOSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@@H](c1ccccn1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659305 413478820 /nfs/dbraw/zinc/47/88/20/413478820.db2.gz MZELDRKYVSMSOM-GOEBONIOSA-N 2 0 259.397 2.560 20 0 CFADRP COCc1cccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659021 413479231 /nfs/dbraw/zinc/47/92/31/413479231.db2.gz JCYRJWSXVVWYDK-GOSISDBHSA-N 2 0 288.435 2.751 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000660677116 413491388 /nfs/dbraw/zinc/49/13/88/413491388.db2.gz PJIYWZDOAXQADU-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000651484501 413495432 /nfs/dbraw/zinc/49/54/32/413495432.db2.gz VXOHSOMNSUQSLP-LLVKDONJSA-N 2 0 260.372 2.742 20 0 CFADRP COCCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660680451 413495557 /nfs/dbraw/zinc/49/55/57/413495557.db2.gz ZJLZNLYHJIYPOB-UHFFFAOYSA-N 2 0 276.424 2.667 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCCc2cccnc21)C1CC1 ZINC000651491428 413503615 /nfs/dbraw/zinc/50/36/15/413503615.db2.gz GUVZEGHRFQFNME-MRXNPFEDSA-N 2 0 273.424 2.923 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](OC2CCC2)C1 ZINC000653814622 413519725 /nfs/dbraw/zinc/51/97/25/413519725.db2.gz QEMJQLOLUXOWQP-NVXWUHKLSA-N 2 0 280.456 2.894 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(COC)cs2)[C@H](C)C1 ZINC000657377314 413521430 /nfs/dbraw/zinc/52/14/30/413521430.db2.gz BZYAJXSIJIUEIX-IUODEOHRSA-N 2 0 282.453 2.714 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)Cc2cc3cnccc3o2)CCN1C ZINC000651644539 413542681 /nfs/dbraw/zinc/54/26/81/413542681.db2.gz VESWAKAOEDCICP-GXTWGEPZSA-N 2 0 273.380 2.742 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000651669223 413558197 /nfs/dbraw/zinc/55/81/97/413558197.db2.gz LHBHWECNNFWHBL-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@H+](C)C(C)C ZINC000651672808 413556810 /nfs/dbraw/zinc/55/68/10/413556810.db2.gz LSHVUEFGFGTLKP-AWEZNQCLSA-N 2 0 258.450 2.758 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1C)N1CC[NH+](C)CC1 ZINC000651674364 413561359 /nfs/dbraw/zinc/56/13/59/413561359.db2.gz LXYPOKHHQXXHRZ-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674618 413562019 /nfs/dbraw/zinc/56/20/19/413562019.db2.gz XHUNXIAWLBHOCN-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651680872 413567034 /nfs/dbraw/zinc/56/70/34/413567034.db2.gz UTIFJZAESSMMTR-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP CCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000651680828 413565577 /nfs/dbraw/zinc/56/55/77/413565577.db2.gz SLEFGZANVSPYEH-DLBZAZTESA-N 2 0 258.409 2.965 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422887455 287267000 /nfs/dbraw/zinc/26/70/00/287267000.db2.gz YSTRZZCHJFNWJV-ZACQAIPSSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705961 413582454 /nfs/dbraw/zinc/58/24/54/413582454.db2.gz NVDSXQAMTOJURR-WMZOPIPTSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](COC)CC(C)(C)C)[C@H](C)C1 ZINC000651721744 413591717 /nfs/dbraw/zinc/59/17/17/413591717.db2.gz PEHIMYFLNPILTO-ILXRZTDVSA-N 2 0 270.461 2.758 20 0 CFADRP COCc1csc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000657429279 413595171 /nfs/dbraw/zinc/59/51/71/413595171.db2.gz FUNDGWWLBMPLBH-UHFFFAOYSA-N 2 0 282.453 2.716 20 0 CFADRP c1nc2n(c1C[NH2+]C1CC(OCc3ccccc3)C1)CCC2 ZINC000657435821 413604938 /nfs/dbraw/zinc/60/49/38/413604938.db2.gz KZBWIIQCIPHQJE-UHFFFAOYSA-N 2 0 297.402 2.667 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657434045 413598210 /nfs/dbraw/zinc/59/82/10/413598210.db2.gz DWMHKEGFDDGZBL-OWLYRPNTSA-N 2 0 288.435 2.664 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651732337 413599425 /nfs/dbraw/zinc/59/94/25/413599425.db2.gz RROICFIQPKFNBW-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP c1cc(C[NH2+]CCC2=CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657415598 413574519 /nfs/dbraw/zinc/57/45/19/413574519.db2.gz MIBDEWIFFHIPEF-UHFFFAOYSA-N 2 0 268.364 2.857 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1nccc2occc21 ZINC000664197512 413629264 /nfs/dbraw/zinc/62/92/64/413629264.db2.gz ZISZPWBGTDNOII-ZDUSSCGKSA-N 2 0 290.411 2.512 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794152 413644610 /nfs/dbraw/zinc/64/46/10/413644610.db2.gz GGKABKRTZTWPNE-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC1CCCC1 ZINC000660925996 413662103 /nfs/dbraw/zinc/66/21/03/413662103.db2.gz JWGAURLCJHKCDS-IRXDYDNUSA-N 2 0 282.472 2.732 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000651830090 413673763 /nfs/dbraw/zinc/67/37/63/413673763.db2.gz ZTUXMCWBZPPBCD-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cnc2n1CCC2 ZINC000657447513 413615842 /nfs/dbraw/zinc/61/58/42/413615842.db2.gz YQQUKPIZWOZHDZ-OAHLLOKOSA-N 2 0 283.375 2.751 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651750363 413616539 /nfs/dbraw/zinc/61/65/39/413616539.db2.gz FKLCOVXNMUFIIQ-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000651865971 413684672 /nfs/dbraw/zinc/68/46/72/413684672.db2.gz OVVJBPYDBGANIW-MRXNPFEDSA-N 2 0 294.487 2.963 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657495677 413684641 /nfs/dbraw/zinc/68/46/41/413684641.db2.gz JLPNBRUKINRTSE-YOEHRIQHSA-N 2 0 282.391 2.793 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)CCC1 ZINC000651865601 413687270 /nfs/dbraw/zinc/68/72/70/413687270.db2.gz AFVHRBHOCJLWRB-OAHLLOKOSA-N 2 0 270.461 2.902 20 0 CFADRP c1cc(C[NH2+]C2CC3(CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657503798 413696693 /nfs/dbraw/zinc/69/66/93/413696693.db2.gz WPJLJSLOXFMQKN-UHFFFAOYSA-N 2 0 268.364 2.690 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H]1CCCOC1)C1CCCCC1 ZINC000651910488 413709717 /nfs/dbraw/zinc/70/97/17/413709717.db2.gz VTBMSAJMQPYWFY-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CC(OC)C1)C1CCCCC1 ZINC000651910510 413710611 /nfs/dbraw/zinc/71/06/11/413710611.db2.gz WJPCCRXMQQLESQ-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CCC(CC)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535791 413716732 /nfs/dbraw/zinc/71/67/32/413716732.db2.gz CGNARCGWTYUKPK-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H](C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535937 413717120 /nfs/dbraw/zinc/71/71/20/413717120.db2.gz UDKDUPLPTBQKJQ-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C1=CC[C@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657536473 413720982 /nfs/dbraw/zinc/72/09/82/413720982.db2.gz JWIVFBRAZZMEGE-INIZCTEOSA-N 2 0 292.467 2.823 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536264 413721645 /nfs/dbraw/zinc/72/16/45/413721645.db2.gz ZUMCNKVTHWNCSF-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H](C)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285484453 196300207 /nfs/dbraw/zinc/30/02/07/196300207.db2.gz IJPNHOXPGOFKEJ-AEFFLSMTSA-N 2 0 288.435 2.619 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573648 413760981 /nfs/dbraw/zinc/76/09/81/413760981.db2.gz NKPBQURKDRRSLL-KRWDZBQOSA-N 2 0 291.483 2.665 20 0 CFADRP CSCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285503252 196307185 /nfs/dbraw/zinc/30/71/85/196307185.db2.gz JIPSSTSKCYHHPN-QGZVFWFLSA-N 2 0 290.476 2.947 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000652222117 413836494 /nfs/dbraw/zinc/83/64/94/413836494.db2.gz GABFCLUVUDFIPF-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000657782578 413926998 /nfs/dbraw/zinc/92/69/98/413926998.db2.gz NZZKFJHSEULDPH-YESZJQIVSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(F)F ZINC000657739331 413894742 /nfs/dbraw/zinc/89/47/42/413894742.db2.gz RIZMKLJCSBNVOA-ZDUSSCGKSA-N 2 0 292.333 2.648 20 0 CFADRP Cc1ccnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000664679817 413900631 /nfs/dbraw/zinc/90/06/31/413900631.db2.gz VHECVPUIKHSCNA-HNNXBMFYSA-N 2 0 259.397 2.924 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCC2CCCC2)C1 ZINC000652362626 413912553 /nfs/dbraw/zinc/91/25/53/413912553.db2.gz LSFPQBZYHXWPDZ-IKGGRYGDSA-N 2 0 280.456 2.928 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657866456 414013866 /nfs/dbraw/zinc/01/38/66/414013866.db2.gz IULAHQDWEKWXLQ-IKGGRYGDSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657871722 414017418 /nfs/dbraw/zinc/01/74/18/414017418.db2.gz LVDRSWZGTZKGNU-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657869403 414017887 /nfs/dbraw/zinc/01/78/87/414017887.db2.gz VWDULKBKVJTINQ-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cs1 ZINC000657811810 413956723 /nfs/dbraw/zinc/95/67/23/413956723.db2.gz HKTKTBBKCDHUKF-UHFFFAOYSA-N 2 0 264.438 2.960 20 0 CFADRP CCc1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657813689 413960066 /nfs/dbraw/zinc/96/00/66/413960066.db2.gz XTZLJZRPSCANSD-UHFFFAOYSA-N 2 0 293.480 2.917 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813595 413960371 /nfs/dbraw/zinc/96/03/71/413960371.db2.gz TVVUKPGRNXSUNO-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1occc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813827 413961529 /nfs/dbraw/zinc/96/15/29/413961529.db2.gz AQHMQROLVZMHSC-UHFFFAOYSA-N 2 0 262.397 2.800 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824843 413961528 /nfs/dbraw/zinc/96/15/28/413961528.db2.gz ZBKZQDGWRSGMMR-JKSUJKDBSA-N 2 0 273.424 2.949 20 0 CFADRP CCCn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657813590 413962141 /nfs/dbraw/zinc/96/21/41/413962141.db2.gz SXJJPWKGYPKLJE-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813241 413962533 /nfs/dbraw/zinc/96/25/33/413962533.db2.gz LGVAEVVVKNVYLQ-ZWKOTPCHSA-N 2 0 294.483 2.902 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657817405 413966585 /nfs/dbraw/zinc/96/65/85/413966585.db2.gz RSRCBDCKZWRUHP-LSDHHAIUSA-N 2 0 278.444 2.818 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657824157 413974060 /nfs/dbraw/zinc/97/40/60/413974060.db2.gz RXNQQSRZIHFEDB-UHFFFAOYSA-N 2 0 260.372 2.538 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657823047 413975601 /nfs/dbraw/zinc/97/56/01/413975601.db2.gz HPIISXLSNRTONC-ZDUSSCGKSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)N1CCC[C@@H](C)C1 ZINC000657834695 413988068 /nfs/dbraw/zinc/98/80/68/413988068.db2.gz ASMKYJIXAFSQIK-OLZOCXBDSA-N 2 0 274.399 2.784 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657841768 413997356 /nfs/dbraw/zinc/99/73/56/413997356.db2.gz RMQQJLTYJBIPHM-KBXIAJHMSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H]([NH2+]CCc1ccccc1F)C1CC[NH+](C)CC1 ZINC000037209568 173030223 /nfs/dbraw/zinc/03/02/23/173030223.db2.gz HDNZQPJZJHBWEA-ZDUSSCGKSA-N 2 0 264.388 2.688 20 0 CFADRP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408246 173184782 /nfs/dbraw/zinc/18/47/82/173184782.db2.gz ZNESTJGSWPPCMD-INIZCTEOSA-N 2 0 258.409 2.823 20 0 CFADRP COC1([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)CCC1 ZINC000657974058 414083892 /nfs/dbraw/zinc/08/38/92/414083892.db2.gz LIJHELRKCYEESW-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CCOC1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000658043316 414126807 /nfs/dbraw/zinc/12/68/07/414126807.db2.gz NBWSQOGTPJRWNB-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2noc3ccccc32)CC1 ZINC000658066849 414153835 /nfs/dbraw/zinc/15/38/35/414153835.db2.gz PHGOQOYQPXFQTJ-UHFFFAOYSA-N 2 0 287.407 2.834 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067112 414154626 /nfs/dbraw/zinc/15/46/26/414154626.db2.gz JUQZMBYNMRSHGE-SFHVURJKSA-N 2 0 294.483 2.902 20 0 CFADRP COC1([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)CCC1 ZINC000657992025 414093471 /nfs/dbraw/zinc/09/34/71/414093471.db2.gz ZNKJEWMYKDXFCH-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C[NH2+]C1CC(CF)(CF)C1)C[NH+]1CCCC1 ZINC000657991693 414094364 /nfs/dbraw/zinc/09/43/64/414094364.db2.gz XALIUCYYQXPZKA-UHFFFAOYSA-N 2 0 274.399 2.786 20 0 CFADRP C(CC[NH2+][C@@H]1COC2(CCC2)C1)CC[NH+]1CCCC1 ZINC000658024167 414107084 /nfs/dbraw/zinc/10/70/84/414107084.db2.gz ROMPSDOQNQPXAU-HNNXBMFYSA-N 2 0 266.429 2.554 20 0 CFADRP C[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665265658 414221083 /nfs/dbraw/zinc/22/10/83/414221083.db2.gz YUDMNOXYHHBGIP-RWMBFGLXSA-N 2 0 252.308 2.766 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665266385 414221178 /nfs/dbraw/zinc/22/11/78/414221178.db2.gz AGDZMGDMCPFFIU-NOZJJQNGSA-N 2 0 269.339 2.545 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665265726 414222637 /nfs/dbraw/zinc/22/26/37/414222637.db2.gz ZVKIFEAYUCWOLX-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263596 414223030 /nfs/dbraw/zinc/22/30/30/414223030.db2.gz PYCUIDFNKRHAQF-FJIDUMEYSA-N 2 0 288.435 2.809 20 0 CFADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665268864 414228379 /nfs/dbraw/zinc/22/83/79/414228379.db2.gz WZQPBQRYLQDORU-INMHGKMJSA-N 2 0 279.472 2.514 20 0 CFADRP CCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658144774 414231430 /nfs/dbraw/zinc/23/14/30/414231430.db2.gz OCRZQMCDAVCVFG-YJBOKZPZSA-N 2 0 290.451 2.922 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658145262 414232048 /nfs/dbraw/zinc/23/20/48/414232048.db2.gz QXBSKTOAXQUEGD-HDMKZQKVSA-N 2 0 290.451 2.777 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000665275136 414234213 /nfs/dbraw/zinc/23/42/13/414234213.db2.gz CSRSCPKRLKKFST-BRWVUGGUSA-N 2 0 274.408 2.926 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277790 414237573 /nfs/dbraw/zinc/23/75/73/414237573.db2.gz LSKHOOQRLGJONX-YRFCHQJDSA-N 2 0 274.408 2.529 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)COCC2CC2)CC1 ZINC000658090046 414184601 /nfs/dbraw/zinc/18/46/01/414184601.db2.gz DSVKPYNPYVUGLG-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000658092622 414187665 /nfs/dbraw/zinc/18/76/65/414187665.db2.gz QVSFDADSLKCVDQ-HNNXBMFYSA-N 2 0 281.488 2.712 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccn1 ZINC000665231900 414189860 /nfs/dbraw/zinc/18/98/60/414189860.db2.gz ALPIREMHMFDKAR-PVUWLOKVSA-N 2 0 267.376 2.920 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665235032 414191096 /nfs/dbraw/zinc/19/10/96/414191096.db2.gz OQWOLYHIDPCJJV-APHBMKBZSA-N 2 0 264.388 2.925 20 0 CFADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665235429 414192858 /nfs/dbraw/zinc/19/28/58/414192858.db2.gz VXGSDDXOLMGLFL-WWGRRREGSA-N 2 0 264.388 2.795 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000665236741 414193036 /nfs/dbraw/zinc/19/30/36/414193036.db2.gz SRTXFXBOKORROB-UPJWGTAASA-N 2 0 252.377 2.781 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000665234432 414193134 /nfs/dbraw/zinc/19/31/34/414193134.db2.gz CQGUWRPXTFCLDG-YWPYICTPSA-N 2 0 252.377 2.862 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000665234430 414193507 /nfs/dbraw/zinc/19/35/07/414193507.db2.gz CQGUWRPXTFCLDG-SLEUVZQESA-N 2 0 252.377 2.862 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000665231984 414194911 /nfs/dbraw/zinc/19/49/11/414194911.db2.gz CNNLTSULGISKRG-DZGCQCFKSA-N 2 0 273.380 2.620 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccnc3ccccc23)C1 ZINC000665239273 414198713 /nfs/dbraw/zinc/19/87/13/414198713.db2.gz PTDLVYIDMLYRCV-HUUCEWRRSA-N 2 0 269.392 2.637 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000665244632 414202507 /nfs/dbraw/zinc/20/25/07/414202507.db2.gz SCTBOFVMIYYFAL-CHWSQXEVSA-N 2 0 278.371 2.726 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000658108337 414207481 /nfs/dbraw/zinc/20/74/81/414207481.db2.gz NDVBFANUQBRUJH-HOTGVXAUSA-N 2 0 277.456 2.609 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2occc21 ZINC000658109203 414210284 /nfs/dbraw/zinc/21/02/84/414210284.db2.gz UGJXENLKHGGUPT-HOCLYGCPSA-N 2 0 293.455 2.519 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000658109127 414211173 /nfs/dbraw/zinc/21/11/73/414211173.db2.gz QUAOUACRKIARLM-DZGCQCFKSA-N 2 0 297.512 2.979 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC(C)(C)F ZINC000665262362 414217904 /nfs/dbraw/zinc/21/79/04/414217904.db2.gz ZMSHGHCEOJYTRU-GXTWGEPZSA-N 2 0 252.377 2.673 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2c1 ZINC000665261911 414218852 /nfs/dbraw/zinc/21/88/52/414218852.db2.gz OEAJWGOVLPEZOE-DAXOMENPSA-N 2 0 288.391 2.583 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279837 414243257 /nfs/dbraw/zinc/24/32/57/414243257.db2.gz NKEUSPMIAZYSPX-JWMHWRSXSA-N 2 0 250.430 2.933 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)s1 ZINC000665280506 414243849 /nfs/dbraw/zinc/24/38/49/414243849.db2.gz DURLGKDLWCXKPE-WCQYABFASA-N 2 0 299.484 2.664 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281376 414244057 /nfs/dbraw/zinc/24/40/57/414244057.db2.gz ANOWVIDCBFKWEX-IMJJTQAJSA-N 2 0 264.413 2.726 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(F)cn1 ZINC000665281513 414244489 /nfs/dbraw/zinc/24/44/89/414244489.db2.gz FMZBENVIYYLOAY-OLZOCXBDSA-N 2 0 253.365 2.635 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283317 414248496 /nfs/dbraw/zinc/24/84/96/414248496.db2.gz LJPRHZXEINNLRX-SKDRFNHKSA-N 2 0 288.313 2.644 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665282954 414249154 /nfs/dbraw/zinc/24/91/54/414249154.db2.gz FFXWNTFBAVWZCZ-XDKFSHSGSA-N 2 0 288.435 2.714 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170938 414262234 /nfs/dbraw/zinc/26/22/34/414262234.db2.gz UTSGVWLCOJQNLL-UXLLHSPISA-N 2 0 276.424 2.522 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000658176977 414266786 /nfs/dbraw/zinc/26/67/86/414266786.db2.gz LRLREIPWYSOFBQ-WBVHZDCISA-N 2 0 260.425 2.918 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@H](C)C1 ZINC000658186926 414269330 /nfs/dbraw/zinc/26/93/30/414269330.db2.gz ULBNBXSPSMGVEK-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299317 414271303 /nfs/dbraw/zinc/27/13/03/414271303.db2.gz KFSNJCSWSOPKRU-GDBMZVCRSA-N 2 0 298.434 2.967 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299574 414273901 /nfs/dbraw/zinc/27/39/01/414273901.db2.gz PMDKKSBUEDTURW-ARFHVFGLSA-N 2 0 296.418 2.577 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000665301072 414274052 /nfs/dbraw/zinc/27/40/52/414274052.db2.gz NVJPWPLUCAYGIC-GHMZBOCLSA-N 2 0 266.351 2.943 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@@H]2CCC[C@H]21 ZINC000658218201 414290988 /nfs/dbraw/zinc/29/09/88/414290988.db2.gz CYJHGOKGKHFLSM-IGQOVBAYSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000655682950 414358900 /nfs/dbraw/zinc/35/89/00/414358900.db2.gz OBVRYXWHKNBKAD-KBPBESRZSA-N 2 0 256.459 2.736 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](OC)C2CCCC2)CC1 ZINC000658314225 414369696 /nfs/dbraw/zinc/36/96/96/414369696.db2.gz GZJQBZFEKVKPMI-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000655694938 414370499 /nfs/dbraw/zinc/37/04/99/414370499.db2.gz MPKUZWYBRXAXGQ-SWLSCSKDSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H](C)SC1)C[NH+]1CCCCC1 ZINC000655698153 414374033 /nfs/dbraw/zinc/37/40/33/414374033.db2.gz XWDSQZNVUASDOB-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000658328928 414378677 /nfs/dbraw/zinc/37/86/77/414378677.db2.gz IFXRCFAWCNCOMG-FVQBIDKESA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655717175 414386610 /nfs/dbraw/zinc/38/66/10/414386610.db2.gz WJZWAMBCDNGGOY-DZGCQCFKSA-N 2 0 270.486 2.982 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655719826 414388710 /nfs/dbraw/zinc/38/87/10/414388710.db2.gz NDCUYILANKLYPW-DZGCQCFKSA-N 2 0 270.486 2.982 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655719827 414389835 /nfs/dbraw/zinc/38/98/35/414389835.db2.gz NDCUYILANKLYPW-HIFRSBDPSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655722097 414392915 /nfs/dbraw/zinc/39/29/15/414392915.db2.gz WSUBSNCMRNAWIL-MCIONIFRSA-N 2 0 256.459 2.590 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000658351097 414394825 /nfs/dbraw/zinc/39/48/25/414394825.db2.gz BDFFKLQZNUTMMY-XJKSGUPXSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CS1 ZINC000655777450 414426688 /nfs/dbraw/zinc/42/66/88/414426688.db2.gz UYIVNQRMQSJYOS-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CS1 ZINC000655777445 414427388 /nfs/dbraw/zinc/42/73/88/414427388.db2.gz UYIVNQRMQSJYOS-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655786265 414432869 /nfs/dbraw/zinc/43/28/69/414432869.db2.gz OOAIQBFJLQGNHU-DLBZAZTESA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000655788722 414435078 /nfs/dbraw/zinc/43/50/78/414435078.db2.gz NGPZGRCUOKPAHZ-XKQJLSEDSA-N 2 0 280.456 2.654 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000662178784 414445528 /nfs/dbraw/zinc/44/55/28/414445528.db2.gz XCDDUWOTGXZELH-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805145 414448550 /nfs/dbraw/zinc/44/85/50/414448550.db2.gz JKEKEKCBRCFOBC-XUWVNRHRSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000655804019 414449276 /nfs/dbraw/zinc/44/92/76/414449276.db2.gz LZDKFATXOMKXQF-APIJFGDWSA-N 2 0 256.409 2.835 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000655803753 414449409 /nfs/dbraw/zinc/44/94/09/414449409.db2.gz CZFGJOPJLILJQZ-JKIFEVAISA-N 2 0 273.424 2.863 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805143 414449791 /nfs/dbraw/zinc/44/97/91/414449791.db2.gz JKEKEKCBRCFOBC-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806067 414450842 /nfs/dbraw/zinc/45/08/42/414450842.db2.gz OXASZSBJBLLUPU-YQQAZPJKSA-N 2 0 260.425 2.856 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655807509 414451458 /nfs/dbraw/zinc/45/14/58/414451458.db2.gz NMKXMWRNQUUJKX-CWRNSKLLSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805619 414451627 /nfs/dbraw/zinc/45/16/27/414451627.db2.gz JMURYELPZLWOLX-MELADBBJSA-N 2 0 250.386 2.531 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000655805647 414451767 /nfs/dbraw/zinc/45/17/67/414451767.db2.gz JSEVBPATUUFRCE-OJLVUWQFSA-N 2 0 250.430 2.885 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655807508 414451776 /nfs/dbraw/zinc/45/17/76/414451776.db2.gz NMKXMWRNQUUJKX-BMFZPTHFSA-N 2 0 276.424 2.556 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000655807531 414451904 /nfs/dbraw/zinc/45/19/04/414451904.db2.gz OVHKOUAHTASQAI-MCIONIFRSA-N 2 0 292.423 2.695 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000655812287 414456264 /nfs/dbraw/zinc/45/62/64/414456264.db2.gz OCNMTERQBHOVSM-BBWFWOEESA-N 2 0 288.435 2.966 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655824078 414460158 /nfs/dbraw/zinc/46/01/58/414460158.db2.gz DMSMWBYIURQECC-QCEMKRCNSA-N 2 0 250.430 2.909 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000655824720 414462644 /nfs/dbraw/zinc/46/26/44/414462644.db2.gz OABGRCLZCPGUCZ-JNSHFYNHSA-N 2 0 257.381 2.598 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)ccc2n1 ZINC000655827632 414464310 /nfs/dbraw/zinc/46/43/10/414464310.db2.gz VQHKBQYERIYWIR-WOVMCDHWSA-N 2 0 283.419 2.973 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000655831161 414465860 /nfs/dbraw/zinc/46/58/60/414465860.db2.gz FBJGQDYVJFFFPY-DZGCQCFKSA-N 2 0 270.461 2.758 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000658352566 414397393 /nfs/dbraw/zinc/39/73/93/414397393.db2.gz IHPZGAGALAIVKJ-WFASDCNBSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1nccs1 ZINC000658356221 414400039 /nfs/dbraw/zinc/40/00/39/414400039.db2.gz MZYPJJSKKYVHAJ-GFCCVEGCSA-N 2 0 279.453 2.916 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246751 414474158 /nfs/dbraw/zinc/47/41/58/414474158.db2.gz RHHVDGJDDJQEQP-LBPRGKRZSA-N 2 0 284.856 2.973 20 0 CFADRP C[NH2+]CC1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662245583 414474848 /nfs/dbraw/zinc/47/48/48/414474848.db2.gz LHLARMIQWUSPJV-UHFFFAOYSA-N 2 0 289.448 2.770 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)C1CCOCC1 ZINC000655848748 414475909 /nfs/dbraw/zinc/47/59/09/414475909.db2.gz KAINVZQULBBMRY-BBWFWOEESA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655848975 414477398 /nfs/dbraw/zinc/47/73/98/414477398.db2.gz NAEOWIVWZVDFQU-DLBZAZTESA-N 2 0 293.499 2.856 20 0 CFADRP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250719 414477646 /nfs/dbraw/zinc/47/76/46/414477646.db2.gz MPEVJYQHVWFFSP-INIZCTEOSA-N 2 0 292.398 2.557 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255368 414478810 /nfs/dbraw/zinc/47/88/10/414478810.db2.gz OVEKLGVCGSZICI-DOTOQJQBSA-N 2 0 286.419 2.517 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCCO1 ZINC000655849881 414479227 /nfs/dbraw/zinc/47/92/27/414479227.db2.gz QJEWTNXKUFSPGP-HZPDHXFCSA-N 2 0 268.445 2.797 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCCCO2)CC1 ZINC000655850814 414479797 /nfs/dbraw/zinc/47/97/97/414479797.db2.gz YZPXZQBSFGBMAY-HOTGVXAUSA-N 2 0 268.445 2.798 20 0 CFADRP CO[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000662265524 414483318 /nfs/dbraw/zinc/48/33/18/414483318.db2.gz QNXKUFQICVPCEC-FCLJQHQZSA-N 2 0 280.456 2.797 20 0 CFADRP CC1([NH3+])CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662271118 414486745 /nfs/dbraw/zinc/48/67/45/414486745.db2.gz RHAHQKRSFJKTAX-OAHLLOKOSA-N 2 0 258.409 2.920 20 0 CFADRP C(CC1CCC1)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662273480 414488526 /nfs/dbraw/zinc/48/85/26/414488526.db2.gz NDXGDDLSGGAFAR-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP COc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1Cl ZINC000662273570 414489243 /nfs/dbraw/zinc/48/92/43/414489243.db2.gz ONJWJPBNVANXEE-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662272607 414489320 /nfs/dbraw/zinc/48/93/20/414489320.db2.gz GXJPPIWDNGYCON-RDJZCZTQSA-N 2 0 258.409 2.777 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000662275126 414490319 /nfs/dbraw/zinc/49/03/19/414490319.db2.gz SKFWPSZBBXHFHV-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)c1cccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274939 414491293 /nfs/dbraw/zinc/49/12/93/414491293.db2.gz ZFIPQUGTKIAYFH-IAGOWNOFSA-N 2 0 258.409 2.994 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000662277655 414493325 /nfs/dbraw/zinc/49/33/25/414493325.db2.gz RLIMNXRVNQJQHM-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000662284505 414494459 /nfs/dbraw/zinc/49/44/59/414494459.db2.gz WAKBSMBTWINPES-INIZCTEOSA-N 2 0 270.420 2.934 20 0 CFADRP CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284179 414495755 /nfs/dbraw/zinc/49/57/55/414495755.db2.gz FRGXGLRJYNOWCO-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP COCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292553 414496640 /nfs/dbraw/zinc/49/66/40/414496640.db2.gz NXEDEPGUTKZISA-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP CO[C@H](CN1CCc2ccccc2[C@H]1C[NH3+])C1CCCC1 ZINC000662286117 414496901 /nfs/dbraw/zinc/49/69/01/414496901.db2.gz OFDIHZNFOZYXAG-QZTJIDSGSA-N 2 0 288.435 2.750 20 0 CFADRP c1c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)onc1C1CC1 ZINC000662292514 414497456 /nfs/dbraw/zinc/49/74/56/414497456.db2.gz FTSCWKPNBOIBJA-OAHLLOKOSA-N 2 0 289.423 2.764 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC000662286180 414497704 /nfs/dbraw/zinc/49/77/04/414497704.db2.gz PIQGTAADLVZMJR-GVDBMIGSSA-N 2 0 280.456 2.785 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000655948078 414497896 /nfs/dbraw/zinc/49/78/96/414497896.db2.gz XLXWUXZALADUBG-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP c1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290123 414498019 /nfs/dbraw/zinc/49/80/19/414498019.db2.gz KNIFMDFMCFZVOI-QGZVFWFLSA-N 2 0 288.435 2.777 20 0 CFADRP CN(CCSc1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000662295794 414498259 /nfs/dbraw/zinc/49/82/59/414498259.db2.gz ULNNQQNTOOAWNS-UHFFFAOYSA-N 2 0 256.390 2.587 20 0 CFADRP C(C[NH+]1CCC(C2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000662298796 414499031 /nfs/dbraw/zinc/49/90/31/414499031.db2.gz GWHZYRFCEVXOCZ-CQSZACIVSA-N 2 0 250.430 2.888 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662294978 414499297 /nfs/dbraw/zinc/49/92/97/414499297.db2.gz JDOVLPRMZREJBZ-CABCVRRESA-N 2 0 278.440 2.600 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[N@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000662298830 414499432 /nfs/dbraw/zinc/49/94/32/414499432.db2.gz HOYWXUUVUKJDIT-CYBMUJFWSA-N 2 0 269.392 2.526 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000662297044 414499960 /nfs/dbraw/zinc/49/99/60/414499960.db2.gz YIXXHPIPWMTBAH-FMKPAKJESA-N 2 0 276.424 2.858 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1F ZINC000662306816 414502508 /nfs/dbraw/zinc/50/25/08/414502508.db2.gz TVGIPLFLBMHESB-XJKSGUPXSA-N 2 0 292.398 2.971 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320276 414505865 /nfs/dbraw/zinc/50/58/65/414505865.db2.gz SOYGFGSNIGXPDG-RDJZCZTQSA-N 2 0 276.424 2.790 20 0 CFADRP CCC(CC)CCC[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662315268 414506184 /nfs/dbraw/zinc/50/61/84/414506184.db2.gz DGBGQUINDNSFST-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662322874 414506680 /nfs/dbraw/zinc/50/66/80/414506680.db2.gz NLEYXOHPTSPEJN-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP Cc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000662322478 414507526 /nfs/dbraw/zinc/50/75/26/414507526.db2.gz HZDMVSNNCNBJKC-SFHVURJKSA-N 2 0 290.451 2.846 20 0 CFADRP COCC1([NH2+]CCC[NH+]2CCCCC2)CCCCC1 ZINC000662339391 414511656 /nfs/dbraw/zinc/51/16/56/414511656.db2.gz GXEGURIMIOPOKH-UHFFFAOYSA-N 2 0 268.445 2.801 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cn(C)c2c1 ZINC000656197935 414532212 /nfs/dbraw/zinc/53/22/12/414532212.db2.gz DYQCHKJEMWFVRR-HZPDHXFCSA-N 2 0 285.435 2.889 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000656197826 414532343 /nfs/dbraw/zinc/53/23/43/414532343.db2.gz BMPJKGRAMTXNKI-IAOVAPTHSA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000656197834 414532389 /nfs/dbraw/zinc/53/23/89/414532389.db2.gz BMPJKGRAMTXNKI-KBRIMQKVSA-N 2 0 258.409 2.651 20 0 CFADRP COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000656201083 414533889 /nfs/dbraw/zinc/53/38/89/414533889.db2.gz JSBFDJCMIDQBDJ-TZMCWYRMSA-N 2 0 278.396 2.626 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C1 ZINC000656198493 414535067 /nfs/dbraw/zinc/53/50/67/414535067.db2.gz ZFCQWNBVSZELSQ-IAGOWNOFSA-N 2 0 288.435 2.985 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000346225536 287283966 /nfs/dbraw/zinc/28/39/66/287283966.db2.gz RLXQWDBLPXGRJQ-UYTYNIKBSA-N 2 0 294.483 2.996 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000659854310 414588872 /nfs/dbraw/zinc/58/88/72/414588872.db2.gz ZFWWMKXAQGAIPL-UHFFFAOYSA-N 2 0 290.451 2.867 20 0 CFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccncc1 ZINC000656503980 414595924 /nfs/dbraw/zinc/59/59/24/414595924.db2.gz PVYZHLYSHPFBDD-HNNXBMFYSA-N 2 0 296.418 2.839 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000659930502 414619032 /nfs/dbraw/zinc/61/90/32/414619032.db2.gz CYQWNQCXHMTRPG-JQHSSLGASA-N 2 0 290.451 2.566 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000659930507 414619655 /nfs/dbraw/zinc/61/96/55/414619655.db2.gz CYQWNQCXHMTRPG-NJAFHUGGSA-N 2 0 290.451 2.566 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000656268780 414553781 /nfs/dbraw/zinc/55/37/81/414553781.db2.gz GYMMQJLCTZEFKE-MQYQWHSLSA-N 2 0 270.486 2.836 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCC1 ZINC000659843578 414581693 /nfs/dbraw/zinc/58/16/93/414581693.db2.gz WQPVSLFLPVLRGE-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000659842943 414581869 /nfs/dbraw/zinc/58/18/69/414581869.db2.gz IUPJQXVPLBDIKI-SFHVURJKSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C(C)(C)CO ZINC000662931625 414635474 /nfs/dbraw/zinc/63/54/74/414635474.db2.gz ODHCZAALDHZMAS-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659976638 414637348 /nfs/dbraw/zinc/63/73/48/414637348.db2.gz TUIHNNFJXLWGEP-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000038076779 174087571 /nfs/dbraw/zinc/08/75/71/174087571.db2.gz VBHQNPJSFOWIQS-HNNXBMFYSA-N 2 0 258.409 2.877 20 0 CFADRP CC[C@@H](CC(F)F)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000660004234 414648441 /nfs/dbraw/zinc/64/84/41/414648441.db2.gz UUVRZBYLOXPIJK-ZDUSSCGKSA-N 2 0 283.366 2.885 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414949351 287289058 /nfs/dbraw/zinc/28/90/58/287289058.db2.gz ZZJFZZXHWJMLFK-LMSBXDPUSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000305148374 287289169 /nfs/dbraw/zinc/28/91/69/287289169.db2.gz SOEBUIDHTMVUMV-NRSFXHEJSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660011383 414650523 /nfs/dbraw/zinc/65/05/23/414650523.db2.gz HKKMMPKRWNOBEE-HOTGVXAUSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)=CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000660115596 414664461 /nfs/dbraw/zinc/66/44/61/414664461.db2.gz CLFFQUYDCGSKHG-BZUAXINKSA-N 2 0 266.429 2.526 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)s1 ZINC000040600685 174350704 /nfs/dbraw/zinc/35/07/04/174350704.db2.gz JTMKWMVJVOSWFO-LBPRGKRZSA-N 2 0 252.427 2.742 20 0 CFADRP CCC[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668121 174367548 /nfs/dbraw/zinc/36/75/48/174367548.db2.gz DTZLAXVYFCLJOB-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000663344799 414676870 /nfs/dbraw/zinc/67/68/70/414676870.db2.gz XPFRBHCQWSANNB-FSDCSDTHSA-N 2 0 280.456 2.654 20 0 CFADRP c1nc2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)ccc2[nH]1 ZINC000663346946 414677998 /nfs/dbraw/zinc/67/79/98/414677998.db2.gz YJRCCXJDRUFUBI-INIZCTEOSA-N 2 0 298.434 2.775 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000044515480 175189885 /nfs/dbraw/zinc/18/98/85/175189885.db2.gz ZWZWBHOMQQYMFY-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044515665 175190022 /nfs/dbraw/zinc/19/00/22/175190022.db2.gz DMKXIKXBTTUERF-ZDUSSCGKSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515609 175190165 /nfs/dbraw/zinc/19/01/65/175190165.db2.gz GDWCIGFJCUDBEN-HNNXBMFYSA-N 2 0 260.425 2.939 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516436 175190342 /nfs/dbraw/zinc/19/03/42/175190342.db2.gz LOYKFEGQKLFZFK-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP CCCOc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044516955 175190481 /nfs/dbraw/zinc/19/04/81/175190481.db2.gz QWZFBAMENMMQFM-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000044517164 175190653 /nfs/dbraw/zinc/19/06/53/175190653.db2.gz YKXJMMMCXWVOHN-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccccc2OC)CC1 ZINC000044517799 175190820 /nfs/dbraw/zinc/19/08/20/175190820.db2.gz VBUDUUXXBWOXAO-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044530156 175195250 /nfs/dbraw/zinc/19/52/50/175195250.db2.gz JBOQDKOGLJYTCF-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044533728 175197942 /nfs/dbraw/zinc/19/79/42/175197942.db2.gz YVTMUDPMEGKTJW-AWEZNQCLSA-N 2 0 264.438 2.840 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534444 175198026 /nfs/dbraw/zinc/19/80/26/175198026.db2.gz YFNHOXNJLBMIPK-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000044534883 175198769 /nfs/dbraw/zinc/19/87/69/175198769.db2.gz HFUJPIPMZIJIDE-CYBMUJFWSA-N 2 0 252.789 2.771 20 0 CFADRP CCCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000078775120 177386058 /nfs/dbraw/zinc/38/60/58/177386058.db2.gz PUYOUNVAGKNSHH-IYBDPMFKSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247116425 287345057 /nfs/dbraw/zinc/34/50/57/287345057.db2.gz QWFUFPQGAVRFJT-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2CCSC2)C1 ZINC000486951377 287347596 /nfs/dbraw/zinc/34/75/96/287347596.db2.gz QCJSCUUMLOWQIB-HUUCEWRRSA-N 2 0 270.486 2.841 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247042269 287348367 /nfs/dbraw/zinc/34/83/67/287348367.db2.gz MUCTXZQLQWUCLV-IKGGRYGDSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000423089189 299000696 /nfs/dbraw/zinc/00/06/96/299000696.db2.gz UOKFEEMKANIPBP-ZMUBYXEMSA-N 2 0 268.445 2.545 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2COC(C)(C)C2)ccc1F ZINC000417927642 227200017 /nfs/dbraw/zinc/20/00/17/227200017.db2.gz MFJZGFPLTXZFAV-AWEZNQCLSA-N 2 0 280.387 2.544 20 0 CFADRP CCn1cncc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000417974043 227324194 /nfs/dbraw/zinc/32/41/94/227324194.db2.gz VFWGDQFGYDWQBN-UHFFFAOYSA-N 2 0 298.434 2.789 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358043098 287498424 /nfs/dbraw/zinc/49/84/24/287498424.db2.gz HAZQYDJDQBBUKO-KLHDSHLOSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422749347 287623936 /nfs/dbraw/zinc/62/39/36/287623936.db2.gz YSIUQRPVBOWKRJ-JGGQBBKZSA-N 2 0 260.381 2.630 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400915674 420503534 /nfs/dbraw/zinc/50/35/34/420503534.db2.gz DAPSDXSBVQPPBX-BHYGNILZSA-N 2 0 281.403 2.713 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400923821 420503649 /nfs/dbraw/zinc/50/36/49/420503649.db2.gz GUIIZAODXDVSNO-GZBFAFLISA-N 2 0 250.430 2.790 20 0 CFADRP Cc1ncc(C[N@H+](C)CCCC2CC[NH2+]CC2)s1 ZINC000400076757 420501360 /nfs/dbraw/zinc/50/13/60/420501360.db2.gz YQFZZDLIAFYUJG-UHFFFAOYSA-N 2 0 267.442 2.663 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000400015799 420501781 /nfs/dbraw/zinc/50/17/81/420501781.db2.gz IBPCPAYETBMRAF-YMAMQOFZSA-N 2 0 250.430 2.887 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400961142 420502705 /nfs/dbraw/zinc/50/27/05/420502705.db2.gz GAQYKTZKBUXWNE-YNEHKIRRSA-N 2 0 264.438 2.788 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)C(C)C ZINC000234809333 522667579 /nfs/dbraw/zinc/66/75/79/522667579.db2.gz VFJKZYCQGICPNR-JKSUJKDBSA-N 2 0 264.413 2.727 20 0 CFADRP Clc1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312824254 260208193 /nfs/dbraw/zinc/20/81/93/260208193.db2.gz NEDQCAJDFNOFFL-OKILXGFUSA-N 2 0 294.826 2.650 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093212953 260272986 /nfs/dbraw/zinc/27/29/86/260272986.db2.gz WRCKBXLQWCYWFW-AVGNSLFASA-N 2 0 278.396 2.624 20 0 CFADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422860586 533685307 /nfs/dbraw/zinc/68/53/07/533685307.db2.gz LQUAWFBQVMMDIR-BRSBDYLESA-N 2 0 293.499 2.619 20 0 CFADRP c1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390172696 262147037 /nfs/dbraw/zinc/14/70/37/262147037.db2.gz HIEHSWXVKCPBII-RCCFBDPRSA-N 2 0 288.435 2.714 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390519729 262204771 /nfs/dbraw/zinc/20/47/71/262204771.db2.gz FTOBORFENYSDKG-FUHWJXTLSA-N 2 0 289.467 2.758 20 0 CFADRP Cc1cc(C)cc(OCCC[NH+]2CCC(C[NH3+])CC2)c1 ZINC000020267186 262244579 /nfs/dbraw/zinc/24/45/79/262244579.db2.gz NAUCAVYDPWUFGD-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390911866 262362634 /nfs/dbraw/zinc/36/26/34/262362634.db2.gz PMANRZXSUWYSAH-AVGNSLFASA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390911879 262362761 /nfs/dbraw/zinc/36/27/61/262362761.db2.gz PMANRZXSUWYSAH-RWMBFGLXSA-N 2 0 260.372 2.919 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000314652555 265174126 /nfs/dbraw/zinc/17/41/26/265174126.db2.gz GSATWPUCVVBSCB-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP C[C@@H]([NH3+])c1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000519140472 265329537 /nfs/dbraw/zinc/32/95/37/265329537.db2.gz HDJQYKCZVZIWOO-MGPQQGTHSA-N 2 0 262.397 2.850 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000514614144 266017923 /nfs/dbraw/zinc/01/79/23/266017923.db2.gz DMZZEFGYNWKRLH-IXDOHACOSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000514614145 266018293 /nfs/dbraw/zinc/01/82/93/266018293.db2.gz DMZZEFGYNWKRLH-YESZJQIVSA-N 2 0 281.488 2.602 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C2 ZINC000192437433 270231808 /nfs/dbraw/zinc/23/18/08/270231808.db2.gz PMTRWTQILHCDSB-OAHLLOKOSA-N 2 0 290.451 2.730 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000192745985 270233838 /nfs/dbraw/zinc/23/38/38/270233838.db2.gz FXGFEJLRJGFJDW-MSOLQXFVSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000194927076 270248591 /nfs/dbraw/zinc/24/85/91/270248591.db2.gz JWLKTJJDVLVOAS-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000236845297 270263520 /nfs/dbraw/zinc/26/35/20/270263520.db2.gz LKAACZMRXBTGJI-JKSUJKDBSA-N 2 0 297.487 2.522 20 0 CFADRP c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc2c1CCC2 ZINC000257664380 270273943 /nfs/dbraw/zinc/27/39/43/270273943.db2.gz GXCSYEAHTKCBCH-UHFFFAOYSA-N 2 0 270.420 2.751 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000258855769 270274883 /nfs/dbraw/zinc/27/48/83/270274883.db2.gz FININZANFRAPAV-ZIAGYGMSSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000258937324 270274900 /nfs/dbraw/zinc/27/49/00/270274900.db2.gz JUVZSYLQZSRDDE-IRXDYDNUSA-N 2 0 254.377 2.852 20 0 CFADRP Clc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000258896671 270274981 /nfs/dbraw/zinc/27/49/81/270274981.db2.gz DDZLTIJTPLASJA-GFCCVEGCSA-N 2 0 252.789 2.819 20 0 CFADRP c1nn(Cc2ccccc2)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000390179267 270306244 /nfs/dbraw/zinc/30/62/44/270306244.db2.gz JGFPNXUJQOQXHD-GOSISDBHSA-N 2 0 298.434 2.553 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000395367149 270312455 /nfs/dbraw/zinc/31/24/55/270312455.db2.gz ZXWPRMNTLNDIMJ-GNRIBBGQSA-N 2 0 256.459 2.625 20 0 CFADRP Cc1cc(C)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000397096202 270315912 /nfs/dbraw/zinc/31/59/12/270315912.db2.gz NMHRQMFBLPRHBU-UHFFFAOYSA-N 2 0 296.418 2.852 20 0 CFADRP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397131428 270316233 /nfs/dbraw/zinc/31/62/33/270316233.db2.gz ZBEPHIPADYSGCT-CQSZACIVSA-N 2 0 290.451 2.831 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000397225152 270316603 /nfs/dbraw/zinc/31/66/03/270316603.db2.gz AZIJWRLKENRSJB-PMPSAXMXSA-N 2 0 276.424 2.761 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(OC)c1 ZINC000397321245 270317483 /nfs/dbraw/zinc/31/74/83/270317483.db2.gz NCONJJFRCKTTIZ-GUTXKFCHSA-N 2 0 292.423 2.509 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000397399754 270318134 /nfs/dbraw/zinc/31/81/34/270318134.db2.gz QPGHRGWAAGINSP-IPYPFGDCSA-N 2 0 262.397 2.500 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398057362 270321327 /nfs/dbraw/zinc/32/13/27/270321327.db2.gz AKFXMVDERJFOFK-JFIYKMOQSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH2+]CCOc1ccccc1-c1ccccc1)C1C[NH2+]C1 ZINC000422931182 270332405 /nfs/dbraw/zinc/33/24/05/270332405.db2.gz AXOLDGYIRSLSBP-HNNXBMFYSA-N 2 0 296.414 2.930 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424377462 270333358 /nfs/dbraw/zinc/33/33/58/270333358.db2.gz MCZBJJWSJPKYQD-AWEZNQCLSA-N 2 0 286.419 2.586 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cc[nH+]1 ZINC000459556527 270339408 /nfs/dbraw/zinc/33/94/08/270339408.db2.gz AHPZGXSVSVHXHE-YOEHRIQHSA-N 2 0 271.408 2.686 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000514930830 270358355 /nfs/dbraw/zinc/35/83/55/270358355.db2.gz ZJDAQVDSRWHKFL-ZIAGYGMSSA-N 2 0 250.386 2.723 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000515053366 270361788 /nfs/dbraw/zinc/36/17/88/270361788.db2.gz UEKPDQWOSXNKAZ-IXDOHACOSA-N 2 0 291.439 2.734 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000515164890 270363579 /nfs/dbraw/zinc/36/35/79/270363579.db2.gz XQUDLVUKNMKMOQ-AWEZNQCLSA-N 2 0 291.439 2.819 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000515517021 270372019 /nfs/dbraw/zinc/37/20/19/270372019.db2.gz YHKYCNBPOHAORW-ZFWWWQNUSA-N 2 0 262.397 2.706 20 0 CFADRP CC[C@H]1CCC[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000515919472 270376096 /nfs/dbraw/zinc/37/60/96/270376096.db2.gz LERLJTCUCYJAGB-ROUUACIJSA-N 2 0 295.515 2.772 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OCC(C)C ZINC000516062537 270377301 /nfs/dbraw/zinc/37/73/01/270377301.db2.gz CPWRIEFEMWAZHS-KBPBESRZSA-N 2 0 294.439 2.945 20 0 CFADRP [NH3+][C@@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000516026227 270377405 /nfs/dbraw/zinc/37/74/05/270377405.db2.gz YPDAAMCGUIOLIL-KRWDZBQOSA-N 2 0 295.386 2.709 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCC1CCC1 ZINC000517024159 270395472 /nfs/dbraw/zinc/39/54/72/270395472.db2.gz KDNFNVOVAQNSSO-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC12CC2 ZINC000527848655 270543405 /nfs/dbraw/zinc/54/34/05/270543405.db2.gz RXRXCNRYWULTRD-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCCOC1 ZINC000530212393 270771345 /nfs/dbraw/zinc/77/13/45/270771345.db2.gz QMBYSIUGFGNDLK-OAGGEKHMSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000350870228 273529589 /nfs/dbraw/zinc/52/95/89/273529589.db2.gz MRPULQJFAUCFJG-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423236979 273563891 /nfs/dbraw/zinc/56/38/91/273563891.db2.gz HSGRYWJZLNBBML-XEZPLFJOSA-N 2 0 263.429 2.525 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCC2 ZINC000092383941 274132200 /nfs/dbraw/zinc/13/22/00/274132200.db2.gz CDNIGGLYPGPQQD-KVULBXGLSA-N 2 0 274.408 2.932 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423252785 274135833 /nfs/dbraw/zinc/13/58/33/274135833.db2.gz URSITUMJVXQCSN-CXAGYDPISA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414884894 274209417 /nfs/dbraw/zinc/20/94/17/274209417.db2.gz BOBCWIZFSJHNKC-QWRGUYRKSA-N 2 0 285.229 2.707 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422885024 274249457 /nfs/dbraw/zinc/24/94/57/274249457.db2.gz GHALBUYAUXIOSI-YCPHGPKFSA-N 2 0 274.408 2.673 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)C1C[NH2+]C1 ZINC000335153658 274259247 /nfs/dbraw/zinc/25/92/47/274259247.db2.gz CPHOMQCWDKPJTL-YMTOWFKASA-N 2 0 250.773 2.525 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1F)CC[NH2+]CC2 ZINC000335280030 274284351 /nfs/dbraw/zinc/28/43/51/274284351.db2.gz QXAXPHJKNRWTDD-CYBMUJFWSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423339913 274339889 /nfs/dbraw/zinc/33/98/89/274339889.db2.gz BRFYZYNOVONCLI-HLNSBACISA-N 2 0 287.451 2.965 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CCC[NH2+]C1 ZINC000423331504 274650961 /nfs/dbraw/zinc/65/09/61/274650961.db2.gz ONKQFURWYZVOLV-CVEARBPZSA-N 2 0 262.372 2.792 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423040418 274849511 /nfs/dbraw/zinc/84/95/11/274849511.db2.gz GZTUVWSCBJADEH-WCFLWFBJSA-N 2 0 279.453 2.807 20 0 CFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCC[NH3+] ZINC000414908700 274864297 /nfs/dbraw/zinc/86/42/97/274864297.db2.gz QSQANWVXZZGXMU-UHFFFAOYSA-N 2 0 292.814 2.663 20 0 CFADRP [NH3+]CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000037713435 274945480 /nfs/dbraw/zinc/94/54/80/274945480.db2.gz BDTYVFPFJGAVBJ-QGZVFWFLSA-N 2 0 254.377 2.909 20 0 CFADRP O[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)C[NH+]1CCCC1 ZINC000360250307 275052279 /nfs/dbraw/zinc/05/22/79/275052279.db2.gz OMFKROLXIRXIQI-FUHWJXTLSA-N 2 0 288.435 2.500 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423284975 275061279 /nfs/dbraw/zinc/06/12/79/275061279.db2.gz ZCEVLHDBVCVBAT-SUMWQHHRSA-N 2 0 274.408 2.749 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000340291658 275656727 /nfs/dbraw/zinc/65/67/27/275656727.db2.gz SDMMCMYRBJENGZ-GFCCVEGCSA-N 2 0 260.372 2.884 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777748 275725012 /nfs/dbraw/zinc/72/50/12/275725012.db2.gz LPZUFENLJTWICM-XDKXFUCDSA-N 2 0 262.441 2.933 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449161563 275728335 /nfs/dbraw/zinc/72/83/35/275728335.db2.gz PIIREWNRSPTCEV-NVXWUHKLSA-N 2 0 292.467 2.800 20 0 CFADRP CC(F)(F)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143641 275800242 /nfs/dbraw/zinc/80/02/42/275800242.db2.gz DODUHWSNUNUWDE-BBRMVZONSA-N 2 0 296.361 2.877 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000340235851 276075961 /nfs/dbraw/zinc/07/59/61/276075961.db2.gz NIWTZBVTGBVBDE-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370159214 276088780 /nfs/dbraw/zinc/08/87/80/276088780.db2.gz BRVJCKGMGWTYKK-JSGCOSHPSA-N 2 0 294.468 2.607 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000360987553 276097711 /nfs/dbraw/zinc/09/77/11/276097711.db2.gz QVUJKVWEZIRGDW-GVDBMIGSSA-N 2 0 282.472 2.903 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423076345 276104925 /nfs/dbraw/zinc/10/49/25/276104925.db2.gz RBPPYIHAZOAKTL-GVDBMIGSSA-N 2 0 293.499 2.619 20 0 CFADRP CC[N@H+](CCC[NH2+]C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000435876535 276123653 /nfs/dbraw/zinc/12/36/53/276123653.db2.gz YTZBRALXMPIILT-AWEZNQCLSA-N 2 0 264.413 2.558 20 0 CFADRP CCN(CCC[NH2+]C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435884762 276123663 /nfs/dbraw/zinc/12/36/63/276123663.db2.gz WSEYIWCPLMWNPL-SJLPKXTDSA-N 2 0 289.467 2.753 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000414188821 276151144 /nfs/dbraw/zinc/15/11/44/276151144.db2.gz JHKFGVMNZDFIKK-HOCLYGCPSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1(C)CC1 ZINC000162872179 289951396 /nfs/dbraw/zinc/95/13/96/289951396.db2.gz MBMKIAQCCUMGKW-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090461999 276218777 /nfs/dbraw/zinc/21/87/77/276218777.db2.gz XJHVIVBJWRFKPP-ARKGTOAJSA-N 2 0 282.472 2.898 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H](C)C1 ZINC000355140192 276228186 /nfs/dbraw/zinc/22/81/86/276228186.db2.gz XRTPNHMVXADDHU-GYXIZQIFSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3c(C)cccc3C2)[C@H](C)C1 ZINC000290097521 276231152 /nfs/dbraw/zinc/23/11/52/276231152.db2.gz HTPSNOBSUFPZHF-PVAVHDDUSA-N 2 0 288.435 2.618 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)[C@H](C)C1 ZINC000247327088 276231611 /nfs/dbraw/zinc/23/16/11/276231611.db2.gz WPEJEWPOZBAOBI-PMPSAXMXSA-N 2 0 280.456 2.798 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423469738 276273152 /nfs/dbraw/zinc/27/31/52/276273152.db2.gz KKWQKJCZDPEZGT-FSOQPWQOSA-N 2 0 296.455 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000050267314 276325767 /nfs/dbraw/zinc/32/57/67/276325767.db2.gz LBDDRFAEGBYBJJ-HUUCEWRRSA-N 2 0 254.418 2.779 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@H+](CC)C[C@H]1C ZINC000484287876 276331643 /nfs/dbraw/zinc/33/16/43/276331643.db2.gz CYYLRJGWMFPWKU-OWSLCNJRSA-N 2 0 295.515 2.817 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000193426810 276358805 /nfs/dbraw/zinc/35/88/05/276358805.db2.gz HMETXVCNPAFSIX-HYVNUMGLSA-N 2 0 276.424 2.837 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000340472445 276395774 /nfs/dbraw/zinc/39/57/74/276395774.db2.gz BABXVPTZBINXSG-DLBZAZTESA-N 3 0 281.488 2.572 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212773 276395900 /nfs/dbraw/zinc/39/59/00/276395900.db2.gz FXZWDPYUCHNVNZ-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000355110849 276462741 /nfs/dbraw/zinc/46/27/41/276462741.db2.gz CLNQCFCPXZOYGL-BRWVUGGUSA-N 2 0 282.472 2.638 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000165931523 276465433 /nfs/dbraw/zinc/46/54/33/276465433.db2.gz UHKDGMJXLPQNNQ-RDJZCZTQSA-N 2 0 294.414 2.759 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348245767 276484879 /nfs/dbraw/zinc/48/48/79/276484879.db2.gz OXVDHWLANGTWSV-KURKYZTESA-N 2 0 290.451 2.737 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423453026 276546849 /nfs/dbraw/zinc/54/68/49/276546849.db2.gz ZXNJWMIYAPUPIF-SYAUCNOPSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1C ZINC000414087182 276583580 /nfs/dbraw/zinc/58/35/80/276583580.db2.gz IEEYOOKOMHVBTP-LHKMKVQPSA-N 2 0 294.483 2.779 20 0 CFADRP C1CC2(C1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000376019928 276851007 /nfs/dbraw/zinc/85/10/07/276851007.db2.gz SIHLNEVUOVNAFA-ZKLCHKPXSA-N 2 0 290.451 2.551 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000271864789 277023137 /nfs/dbraw/zinc/02/31/37/277023137.db2.gz LFHMDWSWGJZNKT-QGZVFWFLSA-N 2 0 256.393 2.916 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000271839285 277023488 /nfs/dbraw/zinc/02/34/88/277023488.db2.gz GMCXHMBJEZVVBK-INIZCTEOSA-N 2 0 260.356 2.665 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000271818879 277023543 /nfs/dbraw/zinc/02/35/43/277023543.db2.gz BXCVDTSHVHWIGU-AWEZNQCLSA-N 2 0 262.422 2.977 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000219297235 277025499 /nfs/dbraw/zinc/02/54/99/277025499.db2.gz BRGZZJOUZCIAIQ-AWEZNQCLSA-N 2 0 262.397 2.979 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000125321522 277026435 /nfs/dbraw/zinc/02/64/35/277026435.db2.gz ZRJCSKDPSQJQSY-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423285571 277031298 /nfs/dbraw/zinc/03/12/98/277031298.db2.gz ZPFSBIBMGGJSOW-IINYFYTJSA-N 2 0 297.240 2.882 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1(C)C ZINC000442871928 277106091 /nfs/dbraw/zinc/10/60/91/277106091.db2.gz MLCQMYOFERAJPR-DLBZAZTESA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925235 277151438 /nfs/dbraw/zinc/15/14/38/277151438.db2.gz IEBJPLPDHXPMOD-HNNXBMFYSA-N 2 0 281.488 2.617 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000429001054 277160448 /nfs/dbraw/zinc/16/04/48/277160448.db2.gz UDULPLDHLLESBM-VQIMIIECSA-N 2 0 284.447 2.819 20 0 CFADRP COC1(C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)CCC1 ZINC000366284104 277189006 /nfs/dbraw/zinc/18/90/06/277189006.db2.gz NRLLCEBOEJMELU-FHERZECASA-N 2 0 280.456 2.941 20 0 CFADRP COC[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000090775279 277245045 /nfs/dbraw/zinc/24/50/45/277245045.db2.gz GUUPRJWXYYPWJD-QQFBHYJXSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423268355 277282679 /nfs/dbraw/zinc/28/26/79/277282679.db2.gz GDLMGKJGOIOGTD-MKBNYLNASA-N 2 0 264.388 2.894 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250742966 277283458 /nfs/dbraw/zinc/28/34/58/277283458.db2.gz NFYDGVHXEZKDPD-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786473 277284386 /nfs/dbraw/zinc/28/43/86/277284386.db2.gz RQMNJIJHCYKUDM-HUUCEWRRSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000227915414 277296195 /nfs/dbraw/zinc/29/61/95/277296195.db2.gz CUFQFEZQYNMAFS-HRCADAONSA-N 2 0 282.472 2.686 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H](C)C[NH+]3CCCCC3)C[C@H]2C1 ZINC000424272050 277351592 /nfs/dbraw/zinc/35/15/92/277351592.db2.gz SXLKVQNLCDAHMB-IECFSIQFSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000487545512 277392076 /nfs/dbraw/zinc/39/20/76/277392076.db2.gz ZDSMAPYPQUMTKS-LSDHHAIUSA-N 2 0 270.486 2.697 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449209310 277396983 /nfs/dbraw/zinc/39/69/83/277396983.db2.gz PHOGTQIIMLZQFT-CAOSSQGBSA-N 2 0 268.445 2.510 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000334867204 277461088 /nfs/dbraw/zinc/46/10/88/277461088.db2.gz WVOUEAWXOGREPY-QOZQQMKHSA-N 2 0 260.381 2.542 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000274606646 277476285 /nfs/dbraw/zinc/47/62/85/277476285.db2.gz RTUNKYILBGCUOH-NSHDSACASA-N 2 0 256.415 2.749 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000222912121 277563342 /nfs/dbraw/zinc/56/33/42/277563342.db2.gz PTJYDQFZRWNSAB-HNNXBMFYSA-N 2 0 275.440 2.585 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000422942899 277563812 /nfs/dbraw/zinc/56/38/12/277563812.db2.gz KXZBURBHSAXNGF-RISCZKNCSA-N 2 0 298.814 2.507 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CCCO ZINC000227922326 277592592 /nfs/dbraw/zinc/59/25/92/277592592.db2.gz FJQBJUAPLPUHOQ-LSDHHAIUSA-N 2 0 270.461 2.686 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1(C)CC1 ZINC000090523438 277615597 /nfs/dbraw/zinc/61/55/97/277615597.db2.gz GEVJAZFQPBWVQT-BMFZPTHFSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000346436916 277618326 /nfs/dbraw/zinc/61/83/26/277618326.db2.gz FYWFOBOVJJHWAC-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423537365 277757954 /nfs/dbraw/zinc/75/79/54/277757954.db2.gz CPRBHVODNNSJQU-BQJWPVKWSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422714122 277789205 /nfs/dbraw/zinc/78/92/05/277789205.db2.gz KPZMIGLLIWDIED-CWQOZTLDSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)C[C@@H]1C ZINC000471536833 277796602 /nfs/dbraw/zinc/79/66/02/277796602.db2.gz DCRWFYTXFHFIIR-XHSDSOJGSA-N 2 0 270.461 2.615 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000092837149 277988252 /nfs/dbraw/zinc/98/82/52/277988252.db2.gz BXWVPPWGLHTELV-SEEARECTSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000414941980 278029634 /nfs/dbraw/zinc/02/96/34/278029634.db2.gz DEKNQWDCEMHNJU-NOOOWODRSA-N 2 0 264.335 2.838 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000422890999 278033273 /nfs/dbraw/zinc/03/32/73/278033273.db2.gz UGWQZOBQXGYDEF-WFASDCNBSA-N 2 0 262.397 2.790 20 0 CFADRP CSC1(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000347934509 278125282 /nfs/dbraw/zinc/12/52/82/278125282.db2.gz FIGUDLGLZLITMN-KBPBESRZSA-N 2 0 270.486 2.840 20 0 CFADRP CS[C@@H]1CCCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000245642729 278143273 /nfs/dbraw/zinc/14/32/73/278143273.db2.gz SOOJDQOKHXPLRC-UONOGXRCSA-N 2 0 256.459 2.688 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000423082374 278169553 /nfs/dbraw/zinc/16/95/53/278169553.db2.gz FAFVPGJWYQOQPM-HTQZYQBOSA-N 2 0 281.347 2.940 20 0 CFADRP C[C@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262318591 278180471 /nfs/dbraw/zinc/18/04/71/278180471.db2.gz DWBXBBGSRPARRD-ZIAGYGMSSA-N 2 0 289.423 2.594 20 0 CFADRP CC1(C)CCC(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000261585837 278196299 /nfs/dbraw/zinc/19/62/99/278196299.db2.gz TYJRFKJEHGAEIF-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401013505 278200911 /nfs/dbraw/zinc/20/09/11/278200911.db2.gz HVZMEMHUUBPKFJ-KCQAQPDRSA-N 2 0 250.430 2.933 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423161298 278220131 /nfs/dbraw/zinc/22/01/31/278220131.db2.gz IRLLHDVPCNTAAK-HZPDHXFCSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423058323 278227444 /nfs/dbraw/zinc/22/74/44/278227444.db2.gz JJHRXRAECLTTLS-FZMZJTMJSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423433577 278227532 /nfs/dbraw/zinc/22/75/32/278227532.db2.gz KAKFOLFUQJMQAL-SWLSCSKDSA-N 2 0 291.439 2.978 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422964763 278227545 /nfs/dbraw/zinc/22/75/45/278227545.db2.gz JJHRXRAECLTTLS-SMDDNHRTSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000422926177 278227551 /nfs/dbraw/zinc/22/75/51/278227551.db2.gz CPYRMQQMBGSVCC-GXFFZTMASA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCS1 ZINC000423030173 278230291 /nfs/dbraw/zinc/23/02/91/278230291.db2.gz JKBXGIWOKNCGNB-IMJJTQAJSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCOC1 ZINC000178158291 278254137 /nfs/dbraw/zinc/25/41/37/278254137.db2.gz MJTQJPZMNSLWMH-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC1(C)C ZINC000487322284 278254596 /nfs/dbraw/zinc/25/45/96/278254596.db2.gz QILHIPHCDOGFGJ-LZWOXQAQSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423043760 278309534 /nfs/dbraw/zinc/30/95/34/278309534.db2.gz PWJYXBOQEQXWAZ-HUUCEWRRSA-N 2 0 275.440 2.892 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(C2CC2)CC1 ZINC000459384159 278331943 /nfs/dbraw/zinc/33/19/43/278331943.db2.gz YMCBECSUGVKIAT-INIZCTEOSA-N 2 0 293.499 2.857 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CCC(OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423086975 288037082 /nfs/dbraw/zinc/03/70/82/288037082.db2.gz OJXJUXXNIBZKPK-PYBGIAKNSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2CCSC2)C1 ZINC000486951378 278341727 /nfs/dbraw/zinc/34/17/27/278341727.db2.gz QCJSCUUMLOWQIB-LSDHHAIUSA-N 2 0 270.486 2.841 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000268905439 278343480 /nfs/dbraw/zinc/34/34/80/278343480.db2.gz LTGUMZSLFRMFIR-ZIAGYGMSSA-N 2 0 282.453 2.636 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000414069894 278343897 /nfs/dbraw/zinc/34/38/97/278343897.db2.gz KSJNMWKPYBKQNC-OWCLPIDISA-N 2 0 292.471 2.829 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486934987 278343934 /nfs/dbraw/zinc/34/39/34/278343934.db2.gz HUFOMZHMVQHBHM-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH2+]CCc1cc2ccccc2s1)C1C[NH2+]C1 ZINC000423135619 278348822 /nfs/dbraw/zinc/34/88/22/278348822.db2.gz OCJAVWDUSDHTQK-LLVKDONJSA-N 2 0 260.406 2.641 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C[C@H]2CCSC2)CC1 ZINC000486959267 278539279 /nfs/dbraw/zinc/53/92/79/278539279.db2.gz ROHPCIINEQVJOA-OAHLLOKOSA-N 2 0 270.486 2.841 20 0 CFADRP CC1CC[NH+](CCN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000373874131 278541026 /nfs/dbraw/zinc/54/10/26/278541026.db2.gz YQOFTPAROQHRRY-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422963225 278624456 /nfs/dbraw/zinc/62/44/56/278624456.db2.gz FIDPOSBBMMKBCC-BRWVUGGUSA-N 2 0 290.451 2.506 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422890576 278711664 /nfs/dbraw/zinc/71/16/64/278711664.db2.gz ISCUHVADARVAFC-CHQKBHSXSA-N 2 0 268.445 2.543 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000449121213 278790476 /nfs/dbraw/zinc/79/04/76/278790476.db2.gz GMMKFCJJJORURF-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000085401588 278928822 /nfs/dbraw/zinc/92/88/22/278928822.db2.gz YPCPFYMASNOJPI-PFSRBDOWSA-N 2 0 268.445 2.686 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000422766632 278929103 /nfs/dbraw/zinc/92/91/03/278929103.db2.gz MABLNYCPXPNPJH-MELADBBJSA-N 2 0 256.434 2.543 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC)cc1 ZINC000261606142 288090327 /nfs/dbraw/zinc/09/03/27/288090327.db2.gz RLPBSAHLHNFOBM-RCBQFDQVSA-N 2 0 262.397 2.734 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2-c2cccnc2)C1 ZINC000377068696 279037642 /nfs/dbraw/zinc/03/76/42/279037642.db2.gz SWROXCORJBHOCS-HNNXBMFYSA-N 2 0 296.418 2.922 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2(OC)CCCCC2)C1 ZINC000361570627 279039707 /nfs/dbraw/zinc/03/97/07/279039707.db2.gz DMUYWDGXWAORPC-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000348243947 279077957 /nfs/dbraw/zinc/07/79/57/279077957.db2.gz MGMPJIAKKJSPRV-UTUOFQBUSA-N 2 0 264.335 2.743 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000372811316 279094257 /nfs/dbraw/zinc/09/42/57/279094257.db2.gz DKHYLMFEACJCCU-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000414051010 279101596 /nfs/dbraw/zinc/10/15/96/279101596.db2.gz IOPLKELPHVLUBH-UONOGXRCSA-N 2 0 266.433 2.581 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352850108 279101623 /nfs/dbraw/zinc/10/16/23/279101623.db2.gz RSVPMFLSUPTPHK-HLLBOEOZSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000349665143 279109342 /nfs/dbraw/zinc/10/93/42/279109342.db2.gz NEAPKBAHUJLUOR-CQSZACIVSA-N 2 0 282.403 2.835 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000119930107 279137440 /nfs/dbraw/zinc/13/74/40/279137440.db2.gz XRXTWBNLHCEZHE-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423269589 279142316 /nfs/dbraw/zinc/14/23/16/279142316.db2.gz VWXOREWMPMKBEU-CGTJXYLNSA-N 2 0 289.467 2.612 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422731075 279165292 /nfs/dbraw/zinc/16/52/92/279165292.db2.gz KTRGUSSWJQNXBO-HLLBOEOZSA-N 2 0 277.456 2.785 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@@H]1F ZINC000339587688 279186122 /nfs/dbraw/zinc/18/61/22/279186122.db2.gz RJTSQSYBMWESLP-GJZGRUSLSA-N 2 0 274.343 2.556 20 0 CFADRP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000346998867 279219487 /nfs/dbraw/zinc/21/94/87/279219487.db2.gz YCXBWYAREVEDDY-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2c1cccc2F ZINC000422766516 279255238 /nfs/dbraw/zinc/25/52/38/279255238.db2.gz QEPXEPRSUXTQCU-IAQYHMDHSA-N 2 0 250.361 2.920 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194058912 279257101 /nfs/dbraw/zinc/25/71/01/279257101.db2.gz AOCHSTGLWJIZHS-IXDOHACOSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000130039596 279258570 /nfs/dbraw/zinc/25/85/70/279258570.db2.gz AJTJWBUFARIWRO-IAQYHMDHSA-N 2 0 250.361 2.743 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423299357 279289524 /nfs/dbraw/zinc/28/95/24/279289524.db2.gz PWBMFAOTLOQLGZ-GHMZBOCLSA-N 2 0 252.427 2.872 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360973285 279349450 /nfs/dbraw/zinc/34/94/50/279349450.db2.gz BIEBVTSALBWKFW-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccncc1)C[NH+]1CCCCC1 ZINC000038041739 279351456 /nfs/dbraw/zinc/35/14/56/279351456.db2.gz WEPWXYWSGKHQES-HUUCEWRRSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423227983 279399909 /nfs/dbraw/zinc/39/99/09/279399909.db2.gz XUCMUFWOWXQIQK-TVQRCGJNSA-N 2 0 283.213 2.763 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000336832097 279440585 /nfs/dbraw/zinc/44/05/85/279440585.db2.gz FBXOATPGVJCBMS-OLZOCXBDSA-N 2 0 294.361 2.562 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)CCCCC1 ZINC000424336987 279618263 /nfs/dbraw/zinc/61/82/63/279618263.db2.gz KCMOFPWQIFSQNR-AGIUHOORSA-N 2 0 290.411 2.781 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000061329374 279619389 /nfs/dbraw/zinc/61/93/89/279619389.db2.gz FYMNYWYEFIBKIO-GCZXYKMCSA-N 2 0 250.411 2.985 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423563323 279638052 /nfs/dbraw/zinc/63/80/52/279638052.db2.gz XGWAGXMQKKCBLM-MELADBBJSA-N 2 0 268.470 2.627 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000089140691 279649293 /nfs/dbraw/zinc/64/92/93/279649293.db2.gz ROINOBKCHCCIRL-OCCSQVGLSA-N 2 0 252.789 2.947 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131622748 288153452 /nfs/dbraw/zinc/15/34/52/288153452.db2.gz XEJRYLWUIIRLQO-SLEUVZQESA-N 2 0 250.361 2.946 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000357004573 279678943 /nfs/dbraw/zinc/67/89/43/279678943.db2.gz PWPWXHSAVYCBDR-JKSUJKDBSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000361239112 279709122 /nfs/dbraw/zinc/70/91/22/279709122.db2.gz SQXLELXTJXXWQW-MCIONIFRSA-N 2 0 256.434 2.508 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000353397999 280032377 /nfs/dbraw/zinc/03/23/77/280032377.db2.gz YTWZNNYBFDUJEB-MTSZKFMLSA-N 2 0 280.456 2.652 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000456286412 280083284 /nfs/dbraw/zinc/08/32/84/280083284.db2.gz VKIKOISKSCLKNB-HOTGVXAUSA-N 2 0 289.423 2.514 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000347011365 288197346 /nfs/dbraw/zinc/19/73/46/288197346.db2.gz JSNQWYOPUIWKRR-CABCVRRESA-N 2 0 297.487 2.534 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCC[NH2+]C1 ZINC000423334393 280157996 /nfs/dbraw/zinc/15/79/96/280157996.db2.gz IIMIPRAGNRMEIX-WBVHZDCISA-N 2 0 274.408 2.749 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CCC[NH2+]C1 ZINC000414919289 280158017 /nfs/dbraw/zinc/15/80/17/280158017.db2.gz WMGULDJYNHLPDH-XHSDSOJGSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000422837403 280255666 /nfs/dbraw/zinc/25/56/66/280255666.db2.gz UFEZOKPIQOSRSD-BPUTZDHNSA-N 2 0 261.413 2.538 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000181750356 280273169 /nfs/dbraw/zinc/27/31/69/280273169.db2.gz MAASJYBNYOSTLG-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000430592437 280282336 /nfs/dbraw/zinc/28/23/36/280282336.db2.gz HIAYUZHFONKMPP-ARFHVFGLSA-N 2 0 270.461 2.887 20 0 CFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414798308 280286854 /nfs/dbraw/zinc/28/68/54/280286854.db2.gz QCWUFJCPLJNZKN-USXIJHARSA-N 2 0 281.488 2.602 20 0 CFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CC1C[NH2+]C1)CC2 ZINC000335461719 280308817 /nfs/dbraw/zinc/30/88/17/280308817.db2.gz MMTFYUAAHNQLSB-CYBMUJFWSA-N 2 0 295.224 2.554 20 0 CFADRP CC(C)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423316439 280324182 /nfs/dbraw/zinc/32/41/82/280324182.db2.gz AUFMFCAWZOWRRN-HNNXBMFYSA-N 2 0 279.403 2.897 20 0 CFADRP CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092354175 280573009 /nfs/dbraw/zinc/57/30/09/280573009.db2.gz UBFCZJQHNXKNFG-UHFFFAOYSA-N 2 0 295.858 2.982 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000107697277 280587452 /nfs/dbraw/zinc/58/74/52/280587452.db2.gz LQXIEPUKEOODMW-CQSZACIVSA-N 2 0 284.403 2.938 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126254751 280651291 /nfs/dbraw/zinc/65/12/91/280651291.db2.gz GXNVRBCTEBMVIU-GUYCJALGSA-N 2 0 258.409 2.851 20 0 CFADRP Cc1oncc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000129618637 280693850 /nfs/dbraw/zinc/69/38/50/280693850.db2.gz RQAAVLNWKQRKIL-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000422860566 280949329 /nfs/dbraw/zinc/94/93/29/280949329.db2.gz LPCWMEIBGYTXNR-HZMBPMFUSA-N 2 0 252.789 2.989 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]C[C@@H]2CC=CCC2)C[C@@H](C)O1 ZINC000246561010 280990459 /nfs/dbraw/zinc/99/04/59/280990459.db2.gz DYGVMALDIZVERK-BRWVUGGUSA-N 2 0 280.456 2.822 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]2CCCO[C@H]21 ZINC000247067059 281004785 /nfs/dbraw/zinc/00/47/85/281004785.db2.gz MUOANVAXWXQWMG-BRWVUGGUSA-N 2 0 292.467 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000247162696 281006364 /nfs/dbraw/zinc/00/63/64/281006364.db2.gz QQEPIAFVSVVQHZ-MAUKXSAKSA-N 3 0 289.467 2.568 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC000247231213 281007560 /nfs/dbraw/zinc/00/75/60/281007560.db2.gz YHUNMIOACKNDMM-BPQIPLTHSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247232955 281008710 /nfs/dbraw/zinc/00/87/10/281008710.db2.gz SGVCAYHBOXAQNQ-YJBOKZPZSA-N 2 0 290.451 2.900 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC000248050836 281017464 /nfs/dbraw/zinc/01/74/64/281017464.db2.gz WFYWZSNSPWGWKV-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248217898 281018908 /nfs/dbraw/zinc/01/89/08/281018908.db2.gz ZZVJADQQJCPQQJ-GZBLMMOJSA-N 2 0 270.486 2.979 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000248649200 281030840 /nfs/dbraw/zinc/03/08/40/281030840.db2.gz VFPNLUJEGBJXOQ-KBAYOESNSA-N 2 0 293.499 2.571 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000181750376 281069644 /nfs/dbraw/zinc/06/96/44/281069644.db2.gz MAASJYBNYOSTLG-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252673529 281076680 /nfs/dbraw/zinc/07/66/80/281076680.db2.gz KKUAZFWELPBBAM-SJORKVTESA-N 2 0 258.409 2.836 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252859376 281077916 /nfs/dbraw/zinc/07/79/16/281077916.db2.gz MKCABZXNASNBMR-CWRNSKLLSA-N 2 0 274.408 2.563 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1nccs1 ZINC000261565415 281112015 /nfs/dbraw/zinc/11/20/15/281112015.db2.gz FOPBTHVZORBRDQ-DDTOSNHZSA-N 2 0 273.405 2.981 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268751163 281116455 /nfs/dbraw/zinc/11/64/55/281116455.db2.gz CLBXYJVATZKADL-HZPDHXFCSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000268951796 281118248 /nfs/dbraw/zinc/11/82/48/281118248.db2.gz VLJUGZCREFHCCI-RHSMWYFYSA-N 2 0 294.414 2.713 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC12CCC2)N1CC[NH+](C)CC1 ZINC000394728446 281195019 /nfs/dbraw/zinc/19/50/19/281195019.db2.gz GAELKWRPAUVOEW-DLBZAZTESA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000397023293 281199776 /nfs/dbraw/zinc/19/97/76/281199776.db2.gz ICASEXHYDFUQSW-UHFFFAOYSA-N 2 0 296.414 2.639 20 0 CFADRP C[C@@H](CCO)CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000397801759 281202840 /nfs/dbraw/zinc/20/28/40/281202840.db2.gz WKKZFUDXQHNSSD-AEFFLSMTSA-N 2 0 290.451 2.649 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000398175931 281204832 /nfs/dbraw/zinc/20/48/32/281204832.db2.gz GIYSLIXXIHSRRI-AEFFLSMTSA-N 2 0 291.483 2.860 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000420372083 281220375 /nfs/dbraw/zinc/22/03/75/281220375.db2.gz XXRGUQHVEKUZQE-QGZVFWFLSA-N 2 0 290.451 2.614 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422927798 281222559 /nfs/dbraw/zinc/22/25/59/281222559.db2.gz HEGWLAJLWFWOKP-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000423009594 281223180 /nfs/dbraw/zinc/22/31/80/281223180.db2.gz VWMQYKKXPYBFIR-LNSITVRQSA-N 2 0 250.386 2.639 20 0 CFADRP CC[C@@H]([NH2+]CCC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423009706 281223236 /nfs/dbraw/zinc/22/32/36/281223236.db2.gz DLGKXZDANRWNDE-MSOLQXFVSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423011210 281223260 /nfs/dbraw/zinc/22/32/60/281223260.db2.gz AQOYLRXNOBLQDS-VBQJREDUSA-N 2 0 260.425 2.996 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)no1 ZINC000459365370 281256780 /nfs/dbraw/zinc/25/67/80/281256780.db2.gz AZXUDKFWOVYZHZ-CYBMUJFWSA-N 2 0 265.401 2.585 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459483229 281266425 /nfs/dbraw/zinc/26/64/25/281266425.db2.gz MKRYLNUTQKJGFU-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000514847299 281287497 /nfs/dbraw/zinc/28/74/97/281287497.db2.gz NUMTZQDMPIOGAJ-TZMCWYRMSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cn1 ZINC000515060711 281289972 /nfs/dbraw/zinc/28/99/72/281289972.db2.gz ZJMQHKKNTHPKIS-NSHDSACASA-N 2 0 259.328 2.530 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000515634258 281296625 /nfs/dbraw/zinc/29/66/25/281296625.db2.gz VDYFGABQUJHVKA-OAHLLOKOSA-N 2 0 282.815 2.617 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000515711787 281296932 /nfs/dbraw/zinc/29/69/32/281296932.db2.gz AMVPORNZGBZRQC-BMFZPTHFSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccn1 ZINC000527532631 281334457 /nfs/dbraw/zinc/33/44/57/281334457.db2.gz HHSIIVHRLGMLSM-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CCOC(=O)C1(C[NH2+]CCCc2ccc(C)nc2)CCC1 ZINC000527525979 281335033 /nfs/dbraw/zinc/33/50/33/281335033.db2.gz HHOPNNLXQSICKJ-UHFFFAOYSA-N 2 0 290.407 2.646 20 0 CFADRP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000531984608 281444241 /nfs/dbraw/zinc/44/42/41/281444241.db2.gz XFFHFAFBDZAXPC-RDJZCZTQSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC2(C)C)cc1 ZINC000551532386 281837151 /nfs/dbraw/zinc/83/71/51/281837151.db2.gz AXDGVWCILXAGAH-KRWDZBQOSA-N 2 0 290.451 2.948 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552246008 281859010 /nfs/dbraw/zinc/85/90/10/281859010.db2.gz FEUQZWCZATUECG-PVAVHDDUSA-N 2 0 280.456 2.512 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCSC1 ZINC000554361093 281890333 /nfs/dbraw/zinc/89/03/33/281890333.db2.gz QOGRAOBHWHYTLF-CQSZACIVSA-N 2 0 268.470 2.594 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC[NH+](C)CC1 ZINC000555002361 281907405 /nfs/dbraw/zinc/90/74/05/281907405.db2.gz CBKFODHFSNSQRB-BFHYXJOUSA-N 2 0 268.470 2.592 20 0 CFADRP C[NH2+]Cc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000556952858 281954960 /nfs/dbraw/zinc/95/49/60/281954960.db2.gz UGKWPIBDAYKKGC-UHFFFAOYSA-N 2 0 273.424 2.692 20 0 CFADRP CC(C)C[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000559873332 282011875 /nfs/dbraw/zinc/01/18/75/282011875.db2.gz RPGCPJFIAZTOKL-DLBZAZTESA-N 2 0 281.488 2.521 20 0 CFADRP Cc1nc2c(s1)[C@@H]([N@H+](C)CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000420319109 282029050 /nfs/dbraw/zinc/02/90/50/282029050.db2.gz OWPMSUHLKDEJLO-JSGCOSHPSA-N 2 0 279.453 2.760 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)o1 ZINC000560523043 282032618 /nfs/dbraw/zinc/03/26/18/282032618.db2.gz ZSWNYIXYURWSHT-BZUAXINKSA-N 2 0 262.397 2.593 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CCC2 ZINC000335021729 282032973 /nfs/dbraw/zinc/03/29/73/282032973.db2.gz DGBXZVIGXLBGCY-LBPRGKRZSA-N 2 0 279.453 2.808 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000560518572 282033015 /nfs/dbraw/zinc/03/30/15/282033015.db2.gz DLJOUERGXWFVPB-HZPDHXFCSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000560907620 282043816 /nfs/dbraw/zinc/04/38/16/282043816.db2.gz BOOXETKBHLJQFM-UBDQQSCGSA-N 2 0 294.483 2.923 20 0 CFADRP CC1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CC[NH2+]CC1 ZINC000560942763 282044720 /nfs/dbraw/zinc/04/47/20/282044720.db2.gz AGNWGNVLBKYIPX-UHFFFAOYSA-N 2 0 296.418 2.623 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000331863871 282045759 /nfs/dbraw/zinc/04/57/59/282045759.db2.gz ZCJLCRQUQDOJCH-NTZNESFSSA-N 2 0 265.426 2.688 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000562058140 282065705 /nfs/dbraw/zinc/06/57/05/282065705.db2.gz CUKKPEMLSHATEA-UGFHNGPFSA-N 2 0 298.377 2.931 20 0 CFADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414950918 288758030 /nfs/dbraw/zinc/75/80/30/288758030.db2.gz PENCDFHJCSCWQC-JOCBIADPSA-N 2 0 293.499 2.760 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000414829839 533692514 /nfs/dbraw/zinc/69/25/14/533692514.db2.gz LGJVBDXZUIMOJO-LBPRGKRZSA-N 2 0 297.240 2.847 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000230146493 289222826 /nfs/dbraw/zinc/22/28/26/289222826.db2.gz RXOUFIDTQYOLIQ-VMBOVVBDSA-N 2 0 284.488 2.741 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCC(C)(C)C ZINC000337174470 289322608 /nfs/dbraw/zinc/32/26/08/289322608.db2.gz HFZOLLYFQFDXAD-BZUAXINKSA-N 2 0 282.472 2.996 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1CCCCC1 ZINC000371293883 289333831 /nfs/dbraw/zinc/33/38/31/289333831.db2.gz IBQOXOABTGAUBY-IKGGRYGDSA-N 2 0 280.456 2.750 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000364964094 289376367 /nfs/dbraw/zinc/37/63/67/289376367.db2.gz UREARVCNCSGTSO-GMRIPVOYSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414903439 533692608 /nfs/dbraw/zinc/69/26/08/533692608.db2.gz JWNOPXLIKJEEOV-GXTWGEPZSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423431147 289460177 /nfs/dbraw/zinc/46/01/77/289460177.db2.gz LJPMPHSBXZYETM-QLFBSQMISA-N 2 0 278.444 2.553 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000415027343 289463763 /nfs/dbraw/zinc/46/37/63/289463763.db2.gz WHNULYYPPSMRKW-BFYDXBDKSA-N 3 0 281.488 2.747 20 0 CFADRP CC[C@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000151912289 289834324 /nfs/dbraw/zinc/83/43/24/289834324.db2.gz NCBDYGOSYDUWSN-KRWDZBQOSA-N 2 0 289.467 2.582 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000335905080 289873948 /nfs/dbraw/zinc/87/39/48/289873948.db2.gz DZXIHYMFQMYFJZ-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CC1(C)C ZINC000487190350 289947743 /nfs/dbraw/zinc/94/77/43/289947743.db2.gz UPCUONIQPXOGPX-SWLSCSKDSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000162906397 289981114 /nfs/dbraw/zinc/98/11/14/289981114.db2.gz WHSAPZWXLMKCBO-YJBOKZPZSA-N 2 0 288.435 2.797 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159060045 289986297 /nfs/dbraw/zinc/98/62/97/289986297.db2.gz SUJCUNCXHQJGJD-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP Cn1cnc(CC[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000313261378 290017599 /nfs/dbraw/zinc/01/75/99/290017599.db2.gz AHBKKDPHDCQJCG-UHFFFAOYSA-N 2 0 265.307 2.690 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000562382260 290039296 /nfs/dbraw/zinc/03/92/96/290039296.db2.gz ASKRTNUXELENHV-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)C[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000562567403 290056175 /nfs/dbraw/zinc/05/61/75/290056175.db2.gz OOXBAEILWAJDJN-OAHLLOKOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336836237 290069816 /nfs/dbraw/zinc/06/98/16/290069816.db2.gz WLRBIQVVSAMFOM-ULQDDVLXSA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000562956195 290085850 /nfs/dbraw/zinc/08/58/50/290085850.db2.gz JKRYSEIXUMRQLS-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000563354414 290136711 /nfs/dbraw/zinc/13/67/11/290136711.db2.gz JIXFXPUGWLGJCS-CVEARBPZSA-N 2 0 296.842 2.790 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000563363422 290138708 /nfs/dbraw/zinc/13/87/08/290138708.db2.gz KOTDPRGRXKVBLO-IAGOWNOFSA-N 2 0 273.424 2.745 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000563539837 290158981 /nfs/dbraw/zinc/15/89/81/290158981.db2.gz YJCPQCALXMEBSM-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1cnc(C2CC2)s1 ZINC000563877717 290180033 /nfs/dbraw/zinc/18/00/33/290180033.db2.gz IBJJUUDTIXMOQS-UHFFFAOYSA-N 2 0 267.442 2.794 20 0 CFADRP Cc1cc(C)c(CN(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000564314946 290202637 /nfs/dbraw/zinc/20/26/37/290202637.db2.gz MFINPWPEAWKMDQ-UHFFFAOYSA-N 2 0 291.483 2.537 20 0 CFADRP Cc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C)c1 ZINC000564324643 290203287 /nfs/dbraw/zinc/20/32/87/290203287.db2.gz XDJUGCKSYUFNRI-UHFFFAOYSA-N 2 0 291.483 2.619 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)CN(C)C1CC1 ZINC000564384210 290206927 /nfs/dbraw/zinc/20/69/27/290206927.db2.gz KHQKOBQUVIBOJM-SFHVURJKSA-N 2 0 290.451 2.662 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000353520959 290216433 /nfs/dbraw/zinc/21/64/33/290216433.db2.gz QGLBGQRUCUHGGD-HRCADAONSA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000375861253 290217347 /nfs/dbraw/zinc/21/73/47/290217347.db2.gz MNDITOMXCCGBFK-SDDRHHMPSA-N 2 0 264.335 2.791 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564722722 290226883 /nfs/dbraw/zinc/22/68/83/290226883.db2.gz REYJZQPQEDOKAE-MORSLUCNSA-N 2 0 288.435 2.776 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000564822283 290236565 /nfs/dbraw/zinc/23/65/65/290236565.db2.gz IGESVXZLKIYPHQ-UONOGXRCSA-N 2 0 256.434 2.556 20 0 CFADRP C[C@H]([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000564822673 290236652 /nfs/dbraw/zinc/23/66/52/290236652.db2.gz ITQLVWBSLOACGH-ILXRZTDVSA-N 2 0 268.470 2.594 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C(C)(C)C ZINC000564990286 290255221 /nfs/dbraw/zinc/25/52/21/290255221.db2.gz FUCRXFHRYMRBTN-UHFFFAOYSA-N 2 0 258.369 2.806 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC000565227219 290285722 /nfs/dbraw/zinc/28/57/22/290285722.db2.gz WJODPAAGSIUXOT-HUUCEWRRSA-N 2 0 289.423 2.763 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2O1 ZINC000565225818 290285825 /nfs/dbraw/zinc/28/58/25/290285825.db2.gz HLWDOKVCQMPPQZ-UKTARXLSSA-N 2 0 260.381 2.758 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)ccc2[nH]1 ZINC000565371322 290298247 /nfs/dbraw/zinc/29/82/47/290298247.db2.gz FMOUIQHAQWUMAY-GJZGRUSLSA-N 2 0 257.381 2.836 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000565430119 290301283 /nfs/dbraw/zinc/30/12/83/290301283.db2.gz CEUPZNFKEXNVBT-YYIAUSFCSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000565481432 290303860 /nfs/dbraw/zinc/30/38/60/290303860.db2.gz VFHMBVTWYXQUDH-LSDHHAIUSA-N 2 0 299.418 2.876 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000565486355 290304303 /nfs/dbraw/zinc/30/43/03/290304303.db2.gz MWZDBVVDGYSVTN-OAHLLOKOSA-N 2 0 293.455 2.794 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cn1 ZINC000565548659 290309575 /nfs/dbraw/zinc/30/95/75/290309575.db2.gz LTDIHALYTMUCGI-WCQGTBRESA-N 2 0 298.228 2.765 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000565610355 290313853 /nfs/dbraw/zinc/31/38/53/290313853.db2.gz YQWPARYIORCFSU-JUVOFCAFSA-N 2 0 274.408 2.594 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000565749806 290321737 /nfs/dbraw/zinc/32/17/37/290321737.db2.gz HDTNNGQEHWHNCS-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442872106 290336981 /nfs/dbraw/zinc/33/69/81/290336981.db2.gz JCSWYMLCYISHKG-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CCCCC2)n1 ZINC000566087951 290346611 /nfs/dbraw/zinc/34/66/11/290346611.db2.gz HODZWZSWZBLBKY-HIFRSBDPSA-N 2 0 276.428 2.620 20 0 CFADRP CC(C)C(C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C(C)C ZINC000566398181 290378056 /nfs/dbraw/zinc/37/80/56/290378056.db2.gz YOXHBZZBDXDABS-INIZCTEOSA-N 2 0 284.488 2.597 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CCCc2cncn2C)C1 ZINC000566414335 290380110 /nfs/dbraw/zinc/38/01/10/290380110.db2.gz NZJGABWBJKXQAN-HNNXBMFYSA-N 2 0 299.418 2.851 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566480928 290392518 /nfs/dbraw/zinc/39/25/18/290392518.db2.gz CLKSTOLTJUGFHM-HZPDHXFCSA-N 2 0 276.424 2.876 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000566481053 290392522 /nfs/dbraw/zinc/39/25/22/290392522.db2.gz FAPCLIADOHOGHM-CABCVRRESA-N 2 0 264.388 2.963 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000566480927 290392608 /nfs/dbraw/zinc/39/26/08/290392608.db2.gz CLKSTOLTJUGFHM-HOTGVXAUSA-N 2 0 276.424 2.876 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000566481015 290392711 /nfs/dbraw/zinc/39/27/11/290392711.db2.gz DWWXPCSPDZRGSA-HLLBOEOZSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NCc2c(F)cccc2OC(F)F)C1 ZINC000566482378 290393256 /nfs/dbraw/zinc/39/32/56/290393256.db2.gz NGGIUXQPLVOUBE-NXEZZACHSA-N 2 0 288.313 2.787 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](NCc2cc(-c3ccccc3)on2)C1 ZINC000566482027 290393400 /nfs/dbraw/zinc/39/34/00/290393400.db2.gz RHDNEULKRLMUJL-UONOGXRCSA-N 2 0 271.364 2.701 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)nc21 ZINC000566484049 290393645 /nfs/dbraw/zinc/39/36/45/290393645.db2.gz ZLKFUSOPAXEOHR-CHWSQXEVSA-N 2 0 273.380 2.538 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000567893769 290502975 /nfs/dbraw/zinc/50/29/75/290502975.db2.gz WOFLSJQXFQUYIO-NVDSNGLKSA-N 2 0 250.430 2.790 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000423165748 293095805 /nfs/dbraw/zinc/09/58/05/293095805.db2.gz QFSQRVHXKAQHKD-KBPBESRZSA-N 2 0 256.434 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000422712049 293098219 /nfs/dbraw/zinc/09/82/19/293098219.db2.gz NTPHLQWTFDMRQW-BBWFWOEESA-N 2 0 276.424 2.666 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)n1 ZINC000423423049 293603899 /nfs/dbraw/zinc/60/38/99/293603899.db2.gz LSISWEDAFYDQQR-KCPJHIHWSA-N 2 0 276.428 2.509 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297348716 294107320 /nfs/dbraw/zinc/10/73/20/294107320.db2.gz JYKVBBBNPZNIFI-HOTGVXAUSA-N 2 0 294.826 2.759 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358452177 294335734 /nfs/dbraw/zinc/33/57/34/294335734.db2.gz OUEZUYQARCBPOM-XQLPTFJDSA-N 2 0 268.445 2.652 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423359558 294483875 /nfs/dbraw/zinc/48/38/75/294483875.db2.gz DEDZYERFOKESHM-HNKHHVNMSA-N 2 0 262.397 2.622 20 0 CFADRP F[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335426165 294730754 /nfs/dbraw/zinc/73/07/54/294730754.db2.gz ZHZYPCFAYBPQNH-DZGCQCFKSA-N 2 0 277.387 2.921 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422946585 295102104 /nfs/dbraw/zinc/10/21/04/295102104.db2.gz PDBDOFLFRGIDRO-PBHICJAKSA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000085129809 295212963 /nfs/dbraw/zinc/21/29/63/295212963.db2.gz IMKUNOKLPBUVIN-YYJSSNLHSA-N 2 0 264.335 2.967 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000423218169 295216145 /nfs/dbraw/zinc/21/61/45/295216145.db2.gz VFWYXJHOFJPBTM-YOEHRIQHSA-N 2 0 276.424 2.982 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422706057 295248857 /nfs/dbraw/zinc/24/88/57/295248857.db2.gz SVFCDNAQTMXZIL-KBPBESRZSA-N 2 0 286.423 2.603 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423268523 295249046 /nfs/dbraw/zinc/24/90/46/295249046.db2.gz DXHMEZHLOYLZJA-HMDCTGQHSA-N 2 0 280.456 2.689 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000423428807 295275450 /nfs/dbraw/zinc/27/54/50/295275450.db2.gz RTPRZUOHXDDAPO-DUQPFJRNSA-N 2 0 294.483 2.936 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422997457 295289170 /nfs/dbraw/zinc/28/91/70/295289170.db2.gz BFYUQZUJVOYTJE-YOEHRIQHSA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000422906014 295307428 /nfs/dbraw/zinc/30/74/28/295307428.db2.gz TYUQECWBXNFCDM-NCOADZHNSA-N 2 0 274.408 2.624 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899090 295365138 /nfs/dbraw/zinc/36/51/38/295365138.db2.gz CDWIOAIHFHHRJP-YOEHRIQHSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422752729 297357534 /nfs/dbraw/zinc/35/75/34/297357534.db2.gz FGZPUPPTMQGMNW-TWMKSMIVSA-N 2 0 295.515 2.721 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000311809161 298391130 /nfs/dbraw/zinc/39/11/30/298391130.db2.gz IEQIEIGEDAOFHS-OAGGEKHMSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O ZINC000423083366 298391155 /nfs/dbraw/zinc/39/11/55/298391155.db2.gz YSBYSCNGKWHDEJ-SOLBZPMBSA-N 2 0 292.467 2.723 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000423430266 298392926 /nfs/dbraw/zinc/39/29/26/298392926.db2.gz KUZJMVOUSGNZQF-OCCSQVGLSA-N 2 0 279.432 2.533 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000343438496 298416052 /nfs/dbraw/zinc/41/60/52/298416052.db2.gz FLFZHTYMTKYKEA-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422839822 298877931 /nfs/dbraw/zinc/87/79/31/298877931.db2.gz RMJQUZBWLSNQMX-LTIDMASMSA-N 2 0 281.488 2.760 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cnn1C(C)C ZINC000423405570 301004600 /nfs/dbraw/zinc/00/46/00/301004600.db2.gz YCLXURKFZFEIMG-UBHSHLNASA-N 2 0 264.417 2.693 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH3+])CCCO2 ZINC000423298248 301210207 /nfs/dbraw/zinc/21/02/07/301210207.db2.gz NUGZZTNGYORNPB-DOMZBBRYSA-N 2 0 262.397 2.702 20 0 CFADRP Cc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000274977981 301333995 /nfs/dbraw/zinc/33/39/95/301333995.db2.gz YUZJGYADSPLNRW-INIZCTEOSA-N 2 0 259.397 2.845 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c[nH]c21 ZINC000422775236 302053618 /nfs/dbraw/zinc/05/36/18/302053618.db2.gz ATVXNUDOEVDVLJ-OLZOCXBDSA-N 2 0 259.397 2.734 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]CC1CC[NH2+]CC1)C(C)C ZINC000178982940 302243191 /nfs/dbraw/zinc/24/31/91/302243191.db2.gz RSGQNSQKPOXWPT-HNNXBMFYSA-N 2 0 261.413 2.676 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000423050595 302588470 /nfs/dbraw/zinc/58/84/70/302588470.db2.gz MNWYYWRLLZYNIN-RKDXNWHRSA-N 2 0 275.318 2.840 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(C)n1 ZINC000421876305 302703309 /nfs/dbraw/zinc/70/33/09/302703309.db2.gz KNOQIISGQZQDQC-GRTSSRMGSA-N 2 0 276.428 2.617 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000040227481 303375783 /nfs/dbraw/zinc/37/57/83/303375783.db2.gz AXCCFRMXQDPUMI-ZDUSSCGKSA-N 2 0 283.213 2.765 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000423335749 303375818 /nfs/dbraw/zinc/37/58/18/303375818.db2.gz UELVFJANRCAIGV-JKSUJKDBSA-N 2 0 280.387 2.764 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843011 303424808 /nfs/dbraw/zinc/42/48/08/303424808.db2.gz GRYOALXWJOSZOG-CJNGLKHVSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222958403 303465466 /nfs/dbraw/zinc/46/54/66/303465466.db2.gz WUYZILFXEAEDLC-KKOKHZNYSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000250677034 303465845 /nfs/dbraw/zinc/46/58/45/303465845.db2.gz WUYZILFXEAEDLC-WYUUTHIRSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422979298 303481989 /nfs/dbraw/zinc/48/19/89/303481989.db2.gz JBDBBNRTSGNMKQ-DLBZAZTESA-N 2 0 258.409 2.651 20 0 CFADRP c1ccc(COCCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420346091 304854508 /nfs/dbraw/zinc/85/45/08/304854508.db2.gz WFLSNQNZTBHKFE-UHFFFAOYSA-N 2 0 288.435 2.669 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CC1 ZINC000422924571 304858647 /nfs/dbraw/zinc/85/86/47/304858647.db2.gz ZAUIPAXIEQDOKS-DOTOQJQBSA-N 2 0 272.392 2.632 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000415043949 533702048 /nfs/dbraw/zinc/70/20/48/533702048.db2.gz SISPBIJCXPBPBS-PWSUYJOCSA-N 2 0 268.788 2.566 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000168293390 322389088 /nfs/dbraw/zinc/38/90/88/322389088.db2.gz JXSVHLCHBLXCNY-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000569802349 322497266 /nfs/dbraw/zinc/49/72/66/322497266.db2.gz XANUMOVLWOECBI-DLBZAZTESA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc(F)cc1F ZINC000572493261 322621194 /nfs/dbraw/zinc/62/11/94/322621194.db2.gz FHEGKIXPROQAOF-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CC1(C)C ZINC000572856249 322634797 /nfs/dbraw/zinc/63/47/97/322634797.db2.gz HKAPRZRCPDUQKN-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000573593176 322662078 /nfs/dbraw/zinc/66/20/78/322662078.db2.gz CYJODCUYXGBWMI-RBSFLKMASA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000574531391 322696726 /nfs/dbraw/zinc/69/67/26/322696726.db2.gz BCBCYDWEKMBBFF-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP Cn1ccnc1[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000575243564 322723213 /nfs/dbraw/zinc/72/32/13/322723213.db2.gz MADDSOTVRUJKKD-BDVYOWHSSA-N 2 0 298.434 2.617 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC000177319745 323693859 /nfs/dbraw/zinc/69/38/59/323693859.db2.gz CCEMQRXYTLXSBP-RDJZCZTQSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180508562 323782240 /nfs/dbraw/zinc/78/22/40/323782240.db2.gz OIIQUZVYZVMWBJ-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1nccn1C ZINC000182454916 323864960 /nfs/dbraw/zinc/86/49/60/323864960.db2.gz JMRSMVYLWDASSQ-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](C)COC)c1 ZINC000187683308 324000535 /nfs/dbraw/zinc/00/05/35/324000535.db2.gz WLDIDGDFSSESQG-OAHLLOKOSA-N 2 0 278.440 2.901 20 0 CFADRP COC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000187737570 324002081 /nfs/dbraw/zinc/00/20/81/324002081.db2.gz GXRYTQQZJNPSNJ-HNNXBMFYSA-N 2 0 278.440 2.899 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCSC)CC1 ZINC000193972095 324079173 /nfs/dbraw/zinc/07/91/73/324079173.db2.gz VYYUGBQDUQLFRR-UHFFFAOYSA-N 2 0 258.475 2.793 20 0 CFADRP CCC(CC)[N@H+](CCOC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211377884 324110339 /nfs/dbraw/zinc/11/03/39/324110339.db2.gz QSDKUISVDWWBRQ-UHFFFAOYSA-N 2 0 290.451 2.969 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211984982 324110432 /nfs/dbraw/zinc/11/04/32/324110432.db2.gz POFWYNDPXVKDKK-KGLIPLIRSA-N 2 0 258.409 2.953 20 0 CFADRP COCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000345164005 324134422 /nfs/dbraw/zinc/13/44/22/324134422.db2.gz WIQGYJGOCFUDQD-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351112719 324314720 /nfs/dbraw/zinc/31/47/20/324314720.db2.gz XHXAEJCAEUTENU-TXEJJXNPSA-N 2 0 297.362 2.757 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000381524260 324420344 /nfs/dbraw/zinc/42/03/44/324420344.db2.gz NMPIKTIOJFCEML-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000388345055 324505753 /nfs/dbraw/zinc/50/57/53/324505753.db2.gz LOSYAYQYTOFCRZ-SDADXPQNSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCC[NH3+])COCc1ccccc1 ZINC000389945233 324522583 /nfs/dbraw/zinc/52/25/83/324522583.db2.gz SYRMGECYVNCHDP-GJZGRUSLSA-N 2 0 264.413 2.556 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC000575970976 324561328 /nfs/dbraw/zinc/56/13/28/324561328.db2.gz TYIYFEMETCZCNI-PWSUYJOCSA-N 2 0 254.324 2.572 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000576400138 324612352 /nfs/dbraw/zinc/61/23/52/324612352.db2.gz XNLZMDYCTHVHDT-SNVBAGLBSA-N 2 0 260.303 2.966 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000577851316 324787645 /nfs/dbraw/zinc/78/76/45/324787645.db2.gz SKYABGLRURTKMZ-CHWFTXMASA-N 2 0 252.324 2.823 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000578497233 324857954 /nfs/dbraw/zinc/85/79/54/324857954.db2.gz HSBPQYZKMJUHSN-DLBZAZTESA-N 2 0 288.435 2.822 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000578846534 324894647 /nfs/dbraw/zinc/89/46/47/324894647.db2.gz HEQFIWKQVXZVCD-LUKYLMHMSA-N 3 0 281.488 2.652 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000578878046 324898588 /nfs/dbraw/zinc/89/85/88/324898588.db2.gz APYGQKPTYQLVCK-JYJNAYRXSA-N 2 0 298.434 2.911 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000579699350 324971729 /nfs/dbraw/zinc/97/17/29/324971729.db2.gz DVYMEXYNPVQXEP-OAHLLOKOSA-N 2 0 278.371 2.629 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000579991309 324998334 /nfs/dbraw/zinc/99/83/34/324998334.db2.gz JNJVISDLCLIFJD-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC2CCC1CC2 ZINC000580075271 325003913 /nfs/dbraw/zinc/00/39/13/325003913.db2.gz AFDKADQCRARFOV-GLFZBCHFSA-N 2 0 292.467 2.559 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000580249284 325019775 /nfs/dbraw/zinc/01/97/75/325019775.db2.gz ARKIYITXJPNSDL-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000580326741 325026556 /nfs/dbraw/zinc/02/65/56/325026556.db2.gz YKFUARPOEDBMIZ-NWDGAFQWSA-N 2 0 262.397 2.616 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000580329060 325026575 /nfs/dbraw/zinc/02/65/75/325026575.db2.gz JOKJYJWIFSVNSS-ZBFHGGJFSA-N 2 0 261.413 2.868 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000580431924 325034507 /nfs/dbraw/zinc/03/45/07/325034507.db2.gz XCPSEJPAHDPEMB-NEPJUHHUSA-N 2 0 292.814 2.741 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000580431925 325034812 /nfs/dbraw/zinc/03/48/12/325034812.db2.gz XCPSEJPAHDPEMB-NWDGAFQWSA-N 2 0 292.814 2.741 20 0 CFADRP COCC[NH2+]C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000580439450 325036311 /nfs/dbraw/zinc/03/63/11/325036311.db2.gz GBGDYUHXSCHANR-SFHVURJKSA-N 2 0 288.435 2.764 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)n1C ZINC000580660875 325054708 /nfs/dbraw/zinc/05/47/08/325054708.db2.gz WSKJOGDGMRIRHH-UKRRQHHQSA-N 2 0 279.428 2.659 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCc2occc21 ZINC000580708865 325057501 /nfs/dbraw/zinc/05/75/01/325057501.db2.gz LEUPUSMKPZUBLZ-LLANDPDTSA-N 2 0 260.381 2.763 20 0 CFADRP CN(C)c1ccccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580892623 325072965 /nfs/dbraw/zinc/07/29/65/325072965.db2.gz JUPDLEFVIAJBQF-UHFFFAOYSA-N 2 0 269.392 2.501 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000581179370 325097382 /nfs/dbraw/zinc/09/73/82/325097382.db2.gz YYOIQJOBFTXOTE-GWCFXTLKSA-N 2 0 254.324 2.572 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccncc2C)C1 ZINC000581247921 325103674 /nfs/dbraw/zinc/10/36/74/325103674.db2.gz FJZNOZNUUFTGEL-MRXNPFEDSA-N 2 0 275.440 2.596 20 0 CFADRP CCn1nc(C[NH2+]Cc2ccc(C[NH3+])cc2)c2ccccc21 ZINC000581310780 325109406 /nfs/dbraw/zinc/10/94/06/325109406.db2.gz OKGFSWILDWKWRK-UHFFFAOYSA-N 2 0 294.402 2.805 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000581337229 325111953 /nfs/dbraw/zinc/11/19/53/325111953.db2.gz ARPPSAFLWHWXFK-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000581476160 325124857 /nfs/dbraw/zinc/12/48/57/325124857.db2.gz CVVIFAJFHKZETR-WCQYABFASA-N 2 0 290.436 2.745 20 0 CFADRP CC(C)c1[nH+]c(CN2CCn3ccnc3C2)c2ccccn21 ZINC000581552850 325131787 /nfs/dbraw/zinc/13/17/87/325131787.db2.gz QSCRTQUNQWIWNH-UHFFFAOYSA-N 2 0 295.390 2.670 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CCCN3CCC3)C2)c1 ZINC000581558672 325132465 /nfs/dbraw/zinc/13/24/65/325132465.db2.gz XIBDTRHGOLAKOG-NVXWUHKLSA-N 2 0 273.424 2.793 20 0 CFADRP Cc1cccc(CCN2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000581604472 325135701 /nfs/dbraw/zinc/13/57/01/325135701.db2.gz JJGVOCWNWWEUAA-QGZVFWFLSA-N 2 0 287.451 2.596 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000581608606 325136509 /nfs/dbraw/zinc/13/65/09/325136509.db2.gz ZEZPCDKWOYTEGD-BFHYXJOUSA-N 2 0 292.448 2.647 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2c(C)nsc2C)C1 ZINC000581645678 325139003 /nfs/dbraw/zinc/13/90/03/325139003.db2.gz VGLLIADFOOEJDL-CYBMUJFWSA-N 2 0 267.442 2.534 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000581937818 325161259 /nfs/dbraw/zinc/16/12/59/325161259.db2.gz UJIAYYVUXUPQNC-CYBMUJFWSA-N 2 0 260.381 2.953 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582304564 325193972 /nfs/dbraw/zinc/19/39/72/325193972.db2.gz UMWLQKIAMUQXPN-CUSZFKRNSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccccc1 ZINC000582414366 325203151 /nfs/dbraw/zinc/20/31/51/325203151.db2.gz CDTCYWJBHIEGSU-OLZOCXBDSA-N 2 0 252.427 2.635 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000582448054 325206116 /nfs/dbraw/zinc/20/61/16/325206116.db2.gz PLXHSRDIMBRBBB-MRXNPFEDSA-N 3 0 275.440 2.643 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000582526247 325211682 /nfs/dbraw/zinc/21/16/82/325211682.db2.gz GZGHWOCPCKVWIM-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000582526248 325211851 /nfs/dbraw/zinc/21/18/51/325211851.db2.gz GZGHWOCPCKVWIM-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000583032571 325254663 /nfs/dbraw/zinc/25/46/63/325254663.db2.gz OERZYEBHRGDJPP-SZMVWBNQSA-N 2 0 290.451 2.567 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000583090815 325259584 /nfs/dbraw/zinc/25/95/84/325259584.db2.gz OJHUNZRRJNLBMN-JKSUJKDBSA-N 2 0 250.430 2.885 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000583392009 325284406 /nfs/dbraw/zinc/28/44/06/325284406.db2.gz QPABLBBRSANPFX-OWCLPIDISA-N 2 0 295.496 2.991 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000583440723 325287453 /nfs/dbraw/zinc/28/74/53/325287453.db2.gz SIRPEIRIYJQEIY-NVXWUHKLSA-N 2 0 260.425 2.968 20 0 CFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc2ccccc2c1 ZINC000583467624 325289905 /nfs/dbraw/zinc/28/99/05/325289905.db2.gz KAALVSFDDOJJMR-UHFFFAOYSA-N 2 0 299.462 2.765 20 0 CFADRP CC(C)CC[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000583817232 325312430 /nfs/dbraw/zinc/31/24/30/325312430.db2.gz CZHJNBFDEITPND-GFCCVEGCSA-N 2 0 280.416 2.664 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000584100920 325330552 /nfs/dbraw/zinc/33/05/52/325330552.db2.gz TXNFMKYTVSHSFQ-XOYOTBSWSA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C1 ZINC000584124037 325332759 /nfs/dbraw/zinc/33/27/59/325332759.db2.gz RDRBRHXAZMGAGQ-ZIAGYGMSSA-N 2 0 257.381 2.570 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000584160136 325334429 /nfs/dbraw/zinc/33/44/29/325334429.db2.gz BQAVNWIXCNJBOW-PBHICJAKSA-N 2 0 298.434 2.613 20 0 CFADRP CCc1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000584236200 325340209 /nfs/dbraw/zinc/34/02/09/325340209.db2.gz WRZNNVOHLZTNSL-SJORKVTESA-N 2 0 258.409 2.965 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000584237757 325340383 /nfs/dbraw/zinc/34/03/83/325340383.db2.gz NBCGBSFYFCJGBG-BBWFWOEESA-N 2 0 284.488 2.884 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000584244110 325341634 /nfs/dbraw/zinc/34/16/34/325341634.db2.gz PYQSTWYQPLEFFW-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1cnc(-c2ccccc2)nc1 ZINC000584291969 325343961 /nfs/dbraw/zinc/34/39/61/325343961.db2.gz OPHZPDVPAVOPTG-KRWDZBQOSA-N 2 0 298.434 2.949 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000414812222 533718223 /nfs/dbraw/zinc/71/82/23/533718223.db2.gz XGCCSYCAOWZUMG-TZMCWYRMSA-N 2 0 252.789 2.865 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000310831113 520636228 /nfs/dbraw/zinc/63/62/28/520636228.db2.gz GPGGKIHXXLQMFG-STQMWFEESA-N 2 0 252.406 2.571 20 0 CFADRP CCSCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000302405365 521705629 /nfs/dbraw/zinc/70/56/29/521705629.db2.gz PFXRWMRGBJLGBE-KGLIPLIRSA-N 2 0 250.411 2.864 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000234383122 521995268 /nfs/dbraw/zinc/99/52/68/521995268.db2.gz PBKRUARWOOYMDM-GFCCVEGCSA-N 2 0 254.805 2.812 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423158453 533723909 /nfs/dbraw/zinc/72/39/09/533723909.db2.gz CQZTZTQNMPFFEY-APIJFGDWSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1F ZINC000414842001 533750984 /nfs/dbraw/zinc/75/09/84/533750984.db2.gz ZVOLUMKBYPBNNG-UKRRQHHQSA-N 2 0 294.414 2.602 20 0 CFADRP COc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000423130523 533767414 /nfs/dbraw/zinc/76/74/14/533767414.db2.gz GQONMDHOGQUHQN-PBWFPOADSA-N 2 0 294.826 2.764 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000423126108 533769275 /nfs/dbraw/zinc/76/92/75/533769275.db2.gz AQVCCDWLGMBCLL-TZMCWYRMSA-N 2 0 282.815 2.608 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423316303 533770085 /nfs/dbraw/zinc/77/00/85/533770085.db2.gz ZXUDPHBUJVIIQX-ZLPCBKJTSA-N 3 0 289.467 2.614 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414780810 533770252 /nfs/dbraw/zinc/77/02/52/533770252.db2.gz UJLIDDRZLFTDQM-UHFFFAOYSA-N 2 0 252.789 2.878 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414884871 533772524 /nfs/dbraw/zinc/77/25/24/533772524.db2.gz WMAIDARTMFJGDE-ZDUSSCGKSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423296484 533774082 /nfs/dbraw/zinc/77/40/82/533774082.db2.gz HADHNQZMRDOUQF-ZANVPECISA-N 2 0 288.313 2.757 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000423322332 533775601 /nfs/dbraw/zinc/77/56/01/533775601.db2.gz GYGFOWFVIOZRSE-BBRMVZONSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414869234 533771714 /nfs/dbraw/zinc/77/17/14/533771714.db2.gz AIOOWBGSXSJMAV-RYUDHWBXSA-N 2 0 286.366 2.794 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825227 533778487 /nfs/dbraw/zinc/77/84/87/533778487.db2.gz CASYVHMUQQPFJK-LBPRGKRZSA-N 2 0 252.789 2.738 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775094 533784614 /nfs/dbraw/zinc/78/46/14/533784614.db2.gz GDVCODALNUKGGF-KBAYOESNSA-N 2 0 294.483 2.761 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)nc1 ZINC000423168889 533805207 /nfs/dbraw/zinc/80/52/07/533805207.db2.gz VGXXERVFJYPBLX-DLBZAZTESA-N 2 0 267.376 2.667 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414828125 533819193 /nfs/dbraw/zinc/81/91/93/533819193.db2.gz IKSZEBXIIBDYKI-WBVHZDCISA-N 2 0 260.425 2.905 20 0 CFADRP C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423104012 533838830 /nfs/dbraw/zinc/83/88/30/533838830.db2.gz BHCRARIVAXRFQT-AAEUAGOBSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422844145 533845022 /nfs/dbraw/zinc/84/50/22/533845022.db2.gz KYJKINLSLPQQIL-MRXNPFEDSA-N 2 0 290.451 2.842 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423129556 533845427 /nfs/dbraw/zinc/84/54/27/533845427.db2.gz FGXGIHKBFQLCPY-LLVKDONJSA-N 2 0 289.345 2.750 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422760541 533851011 /nfs/dbraw/zinc/85/10/11/533851011.db2.gz LZMGEEZVOFKVAJ-GDBMZVCRSA-N 2 0 293.430 2.902 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414814126 533861975 /nfs/dbraw/zinc/86/19/75/533861975.db2.gz ZAJVFPGKJYERLM-RISCZKNCSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423254752 533865829 /nfs/dbraw/zinc/86/58/29/533865829.db2.gz ZHZGKBJEMLWFMP-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423254221 533866422 /nfs/dbraw/zinc/86/64/22/533866422.db2.gz XQERBPOVBXTJTD-WDEREUQCSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951609 533867690 /nfs/dbraw/zinc/86/76/90/533867690.db2.gz ZHMHYKWLFHRAEU-GFCCVEGCSA-N 2 0 291.370 2.740 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423460948 533874073 /nfs/dbraw/zinc/87/40/73/533874073.db2.gz SESPGWSAUBKXSU-BMFZPTHFSA-N 2 0 276.424 2.950 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422881368 533869381 /nfs/dbraw/zinc/86/93/81/533869381.db2.gz QLGFUDFVAYEEMP-GFCCVEGCSA-N 2 0 259.353 2.559 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422916943 533870442 /nfs/dbraw/zinc/87/04/42/533870442.db2.gz CBOODECGMKTFQA-SECBINFHSA-N 2 0 276.302 2.644 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423223648 533884822 /nfs/dbraw/zinc/88/48/22/533884822.db2.gz HAQHYDOQUNFBNF-VHSXEESVSA-N 2 0 256.777 2.737 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414877415 533902437 /nfs/dbraw/zinc/90/24/37/533902437.db2.gz FWRHITGNPPUGHK-SECBINFHSA-N 2 0 267.423 2.699 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414773244 533927379 /nfs/dbraw/zinc/92/73/79/533927379.db2.gz DGHFHCCXZITGOC-DLBZAZTESA-N 2 0 258.409 2.817 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414858372 533928977 /nfs/dbraw/zinc/92/89/77/533928977.db2.gz RQPOWDTWOZNLAQ-WCQYABFASA-N 2 0 284.350 2.766 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000414858370 533930135 /nfs/dbraw/zinc/93/01/35/533930135.db2.gz RQPOWDTWOZNLAQ-AAEUAGOBSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH3+])CCC1 ZINC000423325734 533982015 /nfs/dbraw/zinc/98/20/15/533982015.db2.gz LKZQHTCMNRFBLE-LLVKDONJSA-N 2 0 268.351 2.757 20 0 CFADRP COc1ccccc1C1(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422841249 533999944 /nfs/dbraw/zinc/99/99/44/533999944.db2.gz CSMBMTNAQRCULD-UHFFFAOYSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000414874712 534047787 /nfs/dbraw/zinc/04/77/87/534047787.db2.gz IVTUMSUIBNOOKZ-MRVPVSSYSA-N 2 0 291.620 2.787 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1cccc(F)c1 ZINC000422783450 534055231 /nfs/dbraw/zinc/05/52/31/534055231.db2.gz HMEKOQUJLRAJJF-OPFPJEHXSA-N 2 0 280.387 2.700 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414910422 534059731 /nfs/dbraw/zinc/05/97/31/534059731.db2.gz VKBDEDUWBAOUDD-CYBMUJFWSA-N 2 0 252.789 2.880 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422713540 534069290 /nfs/dbraw/zinc/06/92/90/534069290.db2.gz PQXKHRCMEDZXQY-AEFFLSMTSA-N 2 0 290.451 2.614 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423117835 534069418 /nfs/dbraw/zinc/06/94/18/534069418.db2.gz XMWIMRHFDMLNHP-CJNGLKHVSA-N 2 0 271.408 2.688 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422759997 534091918 /nfs/dbraw/zinc/09/19/18/534091918.db2.gz LITZAVOGQYRUHO-YIPFDTCYSA-N 2 0 254.443 2.533 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414690130 534092393 /nfs/dbraw/zinc/09/23/93/534092393.db2.gz HEYUVLWNPPPACP-RDBSUJKOSA-N 2 0 262.397 2.773 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422758459 534105632 /nfs/dbraw/zinc/10/56/32/534105632.db2.gz DVZOQLXSUZHAPA-HZPDHXFCSA-N 2 0 278.465 2.945 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414909582 534107994 /nfs/dbraw/zinc/10/79/94/534107994.db2.gz SWMHTBQWDCLJOR-CGTJXYLNSA-N 2 0 287.451 2.554 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423349231 534129240 /nfs/dbraw/zinc/12/92/40/534129240.db2.gz WDMZSCYIUNMUTG-GOSISDBHSA-N 2 0 270.420 2.825 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000423263038 534129917 /nfs/dbraw/zinc/12/99/17/534129917.db2.gz ALXIOVZDJJSLRO-IAGOWNOFSA-N 2 0 260.425 2.889 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423242891 534131154 /nfs/dbraw/zinc/13/11/54/534131154.db2.gz WAXIBMVSVHQWOP-IAGOWNOFSA-N 2 0 258.409 2.658 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccnc1 ZINC000423193231 534175971 /nfs/dbraw/zinc/17/59/71/534175971.db2.gz VNPDJPHKASVULW-MAUKXSAKSA-N 2 0 297.446 2.907 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422808795 534176195 /nfs/dbraw/zinc/17/61/95/534176195.db2.gz QWKVOLXWIAQZNH-YQQAZPJKSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423096087 534176342 /nfs/dbraw/zinc/17/63/42/534176342.db2.gz OAAJRUGIQRRHOS-OUCVZQCGSA-N 2 0 268.351 2.926 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422778471 534199842 /nfs/dbraw/zinc/19/98/42/534199842.db2.gz APZUVDYOYUTBDP-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423167995 534200766 /nfs/dbraw/zinc/20/07/66/534200766.db2.gz TVILFWXYGVROHS-TUUVXOQKSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786058 534238975 /nfs/dbraw/zinc/23/89/75/534238975.db2.gz WMNJAGQLQIJCTA-NSHDSACASA-N 2 0 297.240 2.722 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423336778 534248901 /nfs/dbraw/zinc/24/89/01/534248901.db2.gz YERRCMBOTKNRHA-HZMBPMFUSA-N 2 0 286.341 2.963 20 0 CFADRP Brc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000087646091 518212823 /nfs/dbraw/zinc/21/28/23/518212823.db2.gz XRXXLJAVKVPQLZ-GFCCVEGCSA-N 2 0 283.213 2.538 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC1([NH3+])CCCCCC1 ZINC000423199680 534349499 /nfs/dbraw/zinc/34/94/99/534349499.db2.gz KMENFDJZOFIHSJ-CYBMUJFWSA-N 2 0 290.455 2.551 20 0 CFADRP C(CN1CCC[C@H]1C[NH+]1CCCCCC1)C[NH+]1CCCC1 ZINC000364627372 518385225 /nfs/dbraw/zinc/38/52/25/518385225.db2.gz DYKYNZRKVOGVPO-SFHVURJKSA-N 2 0 293.499 2.813 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccccc1F ZINC000422754533 534350026 /nfs/dbraw/zinc/35/00/26/534350026.db2.gz DVCZKKGLCOBIBV-GFCCVEGCSA-N 2 0 287.382 2.881 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC000422780730 534351005 /nfs/dbraw/zinc/35/10/05/534351005.db2.gz DGPYSERZQOCDSM-CQSZACIVSA-N 2 0 299.418 2.968 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226066548 518695232 /nfs/dbraw/zinc/69/52/32/518695232.db2.gz NDYNHIMHABQTBW-NILFDRSVSA-N 2 0 262.397 2.518 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000420281055 534372821 /nfs/dbraw/zinc/37/28/21/534372821.db2.gz LZRNHNZKVFAWBQ-ZIAGYGMSSA-N 2 0 269.392 2.895 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000227913111 519211431 /nfs/dbraw/zinc/21/14/31/519211431.db2.gz MMSQHYFZBIMKMM-LSDHHAIUSA-N 2 0 262.397 2.520 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000312163703 519308097 /nfs/dbraw/zinc/30/80/97/519308097.db2.gz WSGAZQHIEGIYCY-DLBZAZTESA-N 2 0 283.504 2.530 20 0 CFADRP Fc1c(Cl)cccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843273 534439095 /nfs/dbraw/zinc/43/90/95/534439095.db2.gz CDUZMHWNLCWZME-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP CC(C)[N@H+](C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000155732372 519624994 /nfs/dbraw/zinc/62/49/94/519624994.db2.gz YWJLZAWDRUCWIR-UHFFFAOYSA-N 2 0 281.488 2.713 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000192609147 519653465 /nfs/dbraw/zinc/65/34/65/519653465.db2.gz IRCPFAIIONUPSO-DOTOQJQBSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000163578402 519654012 /nfs/dbraw/zinc/65/40/12/519654012.db2.gz INBWNLBTSMBWOT-RDJZCZTQSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194088951 519673585 /nfs/dbraw/zinc/67/35/85/519673585.db2.gz GFYAYQSNRQIJEW-IXDOHACOSA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246067311 519676272 /nfs/dbraw/zinc/67/62/72/519676272.db2.gz ZQQFNFVKTPBGNN-CABCVRRESA-N 2 0 298.471 2.817 20 0 CFADRP CC(=O)Nc1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353615691 519750755 /nfs/dbraw/zinc/75/07/55/519750755.db2.gz ABOVNABJAHRYQK-UHFFFAOYSA-N 2 0 289.423 2.607 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000312163706 519772090 /nfs/dbraw/zinc/77/20/90/519772090.db2.gz WSGAZQHIEGIYCY-SJORKVTESA-N 2 0 283.504 2.530 20 0 CFADRP CC(C)[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000084469045 519815999 /nfs/dbraw/zinc/81/59/99/519815999.db2.gz QESZMNFVJUMSAZ-NUJGCVRESA-N 2 0 295.515 2.673 20 0 CFADRP CCOCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309776059 519898555 /nfs/dbraw/zinc/89/85/55/519898555.db2.gz JALBMSNCADKMGA-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP CCOCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309776063 519898566 /nfs/dbraw/zinc/89/85/66/519898566.db2.gz JALBMSNCADKMGA-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)ccc2n1 ZINC000414859914 534468500 /nfs/dbraw/zinc/46/85/00/534468500.db2.gz UYMNCCNDQLUKHP-OAHLLOKOSA-N 2 0 269.392 2.632 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000161738761 520271183 /nfs/dbraw/zinc/27/11/83/520271183.db2.gz YIIOQMWVGYQLPI-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP c1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000422815989 534481064 /nfs/dbraw/zinc/48/10/64/534481064.db2.gz YXSUACTZJHRHED-SJPCQFCGSA-N 2 0 270.420 2.981 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420399358 534485075 /nfs/dbraw/zinc/48/50/75/534485075.db2.gz NZENXHIFENNAEA-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP c1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422748428 534494567 /nfs/dbraw/zinc/49/45/67/534494567.db2.gz ULORWDQTMPOXNK-LVYZTWJOSA-N 2 0 285.435 2.528 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000245512504 520503082 /nfs/dbraw/zinc/50/30/82/520503082.db2.gz AAILHDNPTDIVAF-BZUAXINKSA-N 2 0 270.461 2.759 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000164498249 520577954 /nfs/dbraw/zinc/57/79/54/520577954.db2.gz ACJHTVOKEDDCIE-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@@H]1C ZINC000361174973 520584989 /nfs/dbraw/zinc/58/49/89/520584989.db2.gz KCQDYSISOISZPX-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP c1cncc(-c2cccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)c2)c1 ZINC000414829151 534504102 /nfs/dbraw/zinc/50/41/02/534504102.db2.gz KGRWJBAMMDMDND-HNNXBMFYSA-N 2 0 281.403 2.838 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354208115 520626309 /nfs/dbraw/zinc/62/63/09/520626309.db2.gz NYHUGNDAGAZLOO-HZPDHXFCSA-N 2 0 298.471 2.915 20 0 CFADRP c1cncc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423246813 534511644 /nfs/dbraw/zinc/51/16/44/534511644.db2.gz KGTJYANJPRVATK-CZUORRHYSA-N 2 0 259.397 2.512 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)OC(C)C ZINC000360947137 520738023 /nfs/dbraw/zinc/73/80/23/520738023.db2.gz LLWYIHHWONATKL-CVEARBPZSA-N 2 0 298.471 2.818 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000360439779 520739707 /nfs/dbraw/zinc/73/97/07/520739707.db2.gz ZHITUQYSFAWVIQ-QGZVFWFLSA-N 2 0 275.440 2.678 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cncnc1 ZINC000054767081 520759394 /nfs/dbraw/zinc/75/93/94/520759394.db2.gz ZKGACBWPZJGEES-UHFFFAOYSA-N 2 0 284.407 2.608 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414838811 534522506 /nfs/dbraw/zinc/52/25/06/534522506.db2.gz VRXBVEDQQOUION-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP CC1CC[NH+](CCCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157279596 521008135 /nfs/dbraw/zinc/00/81/35/521008135.db2.gz JURCRWAYEARUAB-MSOLQXFVSA-N 2 0 287.451 2.843 20 0 CFADRP CCC[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000053345067 521061264 /nfs/dbraw/zinc/06/12/64/521061264.db2.gz VDZCGZGXJXLUFS-KRWDZBQOSA-N 2 0 289.467 2.582 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415024551 534553628 /nfs/dbraw/zinc/55/36/28/534553628.db2.gz PAMHEKQQNSWSRF-CYBMUJFWSA-N 2 0 272.396 2.602 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000227375578 521370666 /nfs/dbraw/zinc/37/06/66/521370666.db2.gz KDSXIAFGSZPVMX-DZGCQCFKSA-N 2 0 262.397 2.658 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ncoc2-c2ccccc2)CC1 ZINC000422886995 534560525 /nfs/dbraw/zinc/56/05/25/534560525.db2.gz AKHFFCHAOWWHBZ-UHFFFAOYSA-N 2 0 271.364 2.701 20 0 CFADRP CCC(CC)([NH2+]CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000357098818 521475234 /nfs/dbraw/zinc/47/52/34/521475234.db2.gz BNORBDUHARCCAQ-UHFFFAOYSA-N 2 0 284.831 2.920 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000338689009 521682194 /nfs/dbraw/zinc/68/21/94/521682194.db2.gz BAEVIZAIFAQTLO-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)C)CC1 ZINC000062734857 521700096 /nfs/dbraw/zinc/70/00/96/521700096.db2.gz CACQFGFSQGPFRA-UHFFFAOYSA-N 2 0 275.440 2.574 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000360839719 521711668 /nfs/dbraw/zinc/71/16/68/521711668.db2.gz YRFAOHINVYIARU-YOEHRIQHSA-N 2 0 273.424 2.854 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000246130332 521715444 /nfs/dbraw/zinc/71/54/44/521715444.db2.gz JONUKYBSLKMSFT-XJKSGUPXSA-N 2 0 264.388 2.954 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@@H](C)C1 ZINC000246275795 521721359 /nfs/dbraw/zinc/72/13/59/521721359.db2.gz BBDLXBPPRXYTLE-XUJVJEKNSA-N 2 0 279.428 2.715 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000231676357 521795710 /nfs/dbraw/zinc/79/57/10/521795710.db2.gz JCWOMIMVMYXHHT-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423327352 534607158 /nfs/dbraw/zinc/60/71/58/534607158.db2.gz MYRMNMSUCDKKKE-NNZMDNLPSA-N 3 0 287.451 2.511 20 0 CFADRP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443268 522227129 /nfs/dbraw/zinc/22/71/29/522227129.db2.gz PUOPQGXKGNTQDB-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309690628 522257650 /nfs/dbraw/zinc/25/76/50/522257650.db2.gz CVHYYFXYLCBQFT-QZTJIDSGSA-N 2 0 290.451 2.913 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000234741318 522289013 /nfs/dbraw/zinc/28/90/13/522289013.db2.gz GWWRUVMQDQBHSY-SMDDNHRTSA-N 2 0 270.804 2.745 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1Cl ZINC000234741729 522289174 /nfs/dbraw/zinc/28/91/74/522289174.db2.gz GCFHWGSUJKYCFO-NWDGAFQWSA-N 2 0 270.804 2.745 20 0 CFADRP COC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C(C)C ZINC000158195822 522351402 /nfs/dbraw/zinc/35/14/02/522351402.db2.gz RLNNXIZEPUOYIS-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP CCc1ncc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000227327692 522552376 /nfs/dbraw/zinc/55/23/76/522552376.db2.gz AGCOUGWKBOXISA-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP CCc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000088164209 522552891 /nfs/dbraw/zinc/55/28/91/522552891.db2.gz NJTBBDPXNHDTKT-YHWZYXNKSA-N 2 0 279.453 2.810 20 0 CFADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000362287070 522561889 /nfs/dbraw/zinc/56/18/89/522561889.db2.gz SUPYFESOXJALIB-IRXDYDNUSA-N 2 0 289.423 2.598 20 0 CFADRP Clc1cccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428036902 534646392 /nfs/dbraw/zinc/64/63/92/534646392.db2.gz RWBRLGOCVXBWRR-BBRMVZONSA-N 2 0 294.826 2.793 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000155601928 522607410 /nfs/dbraw/zinc/60/74/10/522607410.db2.gz VBACWRCXOGZFJQ-AEFFLSMTSA-N 2 0 289.467 2.753 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000234805500 522668758 /nfs/dbraw/zinc/66/87/58/522668758.db2.gz SUTUBDUYNIPZJS-RDJZCZTQSA-N 2 0 288.391 2.713 20 0 CFADRP C[N@H+](CCCCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000339407321 522733042 /nfs/dbraw/zinc/73/30/42/522733042.db2.gz JHQITYOCLDFDQN-UHFFFAOYSA-N 2 0 276.424 2.920 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000182407913 522779469 /nfs/dbraw/zinc/77/94/69/522779469.db2.gz GSTWPJSTRQJBGQ-GOSISDBHSA-N 2 0 290.451 2.867 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C)c1 ZINC000311320962 522836242 /nfs/dbraw/zinc/83/62/42/522836242.db2.gz CCEMFMJBPXXYHT-MRXNPFEDSA-N 2 0 264.413 2.614 20 0 CFADRP COCC1(C[N@H+](C)C2CC[NH+](C(C)C)CC2)CCC1 ZINC000361295037 522867568 /nfs/dbraw/zinc/86/75/68/522867568.db2.gz HTCMHSGGZNVLBK-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@H+](CCc1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000161771205 522956335 /nfs/dbraw/zinc/95/63/35/522956335.db2.gz WIOVOUVKQMYMEH-AWEZNQCLSA-N 2 0 264.388 2.642 20 0 CFADRP CC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158983323 522994161 /nfs/dbraw/zinc/99/41/61/522994161.db2.gz JERWMDKPBHNTBS-DOTOQJQBSA-N 2 0 282.472 2.734 20 0 CFADRP COCCCC[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000340704038 523142345 /nfs/dbraw/zinc/14/23/45/523142345.db2.gz AOGXZHBRYPABLB-GOSISDBHSA-N 2 0 290.451 2.915 20 0 CFADRP COCCCC[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340704039 523142773 /nfs/dbraw/zinc/14/27/73/523142773.db2.gz AOGXZHBRYPABLB-SFHVURJKSA-N 2 0 290.451 2.915 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423101194 534691405 /nfs/dbraw/zinc/69/14/05/534691405.db2.gz IGOIWOBXPGJRKF-HOTGVXAUSA-N 2 0 261.413 2.572 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CCCC(C)C)CC1 ZINC000338439063 523296888 /nfs/dbraw/zinc/29/68/88/523296888.db2.gz YLDKEBWOWZSORX-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138816 523463664 /nfs/dbraw/zinc/46/36/64/523463664.db2.gz MHPALTGHLSMCMA-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422776375 534712252 /nfs/dbraw/zinc/71/22/52/534712252.db2.gz DJWYVIZVDCCZCC-YUELXQCFSA-N 2 0 293.842 2.778 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000361896652 523759549 /nfs/dbraw/zinc/75/95/49/523759549.db2.gz KVYDSIXZEDMUTA-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP CO[C@@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000361009887 523797529 /nfs/dbraw/zinc/79/75/29/523797529.db2.gz NCMIRXVEISWUQL-INIZCTEOSA-N 2 0 268.445 2.654 20 0 CFADRP CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000336186549 523798196 /nfs/dbraw/zinc/79/81/96/523798196.db2.gz YIAQEIYZRXAVII-XJKSGUPXSA-N 2 0 259.397 2.565 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000305649956 523824303 /nfs/dbraw/zinc/82/43/03/523824303.db2.gz UAEZKPYAJIXXCG-OWCLPIDISA-N 2 0 292.423 2.652 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000158655404 523833561 /nfs/dbraw/zinc/83/35/61/523833561.db2.gz BTKVGLCZEHQJAD-PBHICJAKSA-N 2 0 292.398 2.621 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262026682 523835307 /nfs/dbraw/zinc/83/53/07/523835307.db2.gz WQIWHCLRPKJDDR-AWEZNQCLSA-N 2 0 276.424 2.818 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC000339441324 523838511 /nfs/dbraw/zinc/83/85/11/523838511.db2.gz VSOMDXKCHVCOTE-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000311170372 523855266 /nfs/dbraw/zinc/85/52/66/523855266.db2.gz SIVLXYURXGVILP-CHWSQXEVSA-N 2 0 250.386 2.782 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157244144 523978575 /nfs/dbraw/zinc/97/85/75/523978575.db2.gz VMCJFLFEYBQNPY-ROUUACIJSA-N 2 0 282.387 2.972 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000156694751 524004194 /nfs/dbraw/zinc/00/41/94/524004194.db2.gz XQBDHPNEYPUMHC-AWEZNQCLSA-N 2 0 280.412 2.509 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3=CCCOC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360792026 524015283 /nfs/dbraw/zinc/01/52/83/524015283.db2.gz SEXLWMSZCWOXQL-QYZOEREBSA-N 2 0 298.430 2.568 20 0 CFADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Cl ZINC000336297906 524025485 /nfs/dbraw/zinc/02/54/85/524025485.db2.gz JAWSPPZOMDTDFY-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000353522552 524038528 /nfs/dbraw/zinc/03/85/28/524038528.db2.gz SAEZKOGGJMZHIH-UHFFFAOYSA-N 2 0 268.351 2.927 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)o1 ZINC000155758358 524045553 /nfs/dbraw/zinc/04/55/53/524045553.db2.gz IZXRBMDQOBTOHX-CABCVRRESA-N 2 0 293.455 2.519 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190423204 524050733 /nfs/dbraw/zinc/05/07/33/524050733.db2.gz RFHRZXDOZLKNIW-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCO)CC1 ZINC000158988927 524096088 /nfs/dbraw/zinc/09/60/88/524096088.db2.gz DEHHFGVNOYEKGH-MRXNPFEDSA-N 2 0 282.472 2.735 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000312915843 524137209 /nfs/dbraw/zinc/13/72/09/524137209.db2.gz LNZSUJWZFMYWER-OLZOCXBDSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000308984532 524140526 /nfs/dbraw/zinc/14/05/26/524140526.db2.gz GBWLAXZRDJDMKH-SNVBAGLBSA-N 2 0 271.202 2.666 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049553878 524153640 /nfs/dbraw/zinc/15/36/40/524153640.db2.gz UYBMGLYIKQUMBL-KBPBESRZSA-N 2 0 264.413 2.556 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC000049553570 524166052 /nfs/dbraw/zinc/16/60/52/524166052.db2.gz GVRNPUMMCZUDIQ-CYBMUJFWSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000220515166 524171375 /nfs/dbraw/zinc/17/13/75/524171375.db2.gz IHMGEHBGHSBGGF-MRVPVSSYSA-N 2 0 291.620 2.929 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000314392309 524172400 /nfs/dbraw/zinc/17/24/00/524172400.db2.gz SGNXGBWQRRJKHS-GVDBMIGSSA-N 2 0 288.435 2.741 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000312739863 524172993 /nfs/dbraw/zinc/17/29/93/524172993.db2.gz XRAVORNDGXDFMZ-KRWDZBQOSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000311562013 524176746 /nfs/dbraw/zinc/17/67/46/524176746.db2.gz SFBUPYLMEPMIND-IWCQGFGOSA-N 2 0 258.409 2.849 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000084132331 524262978 /nfs/dbraw/zinc/26/29/78/524262978.db2.gz XUVZFYBPALGIGE-QGZVFWFLSA-N 2 0 258.409 2.797 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000157834103 524269458 /nfs/dbraw/zinc/26/94/58/524269458.db2.gz PKUHEFRJQOOFRF-CABCVRRESA-N 2 0 280.460 2.618 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c21 ZINC000422710250 534777646 /nfs/dbraw/zinc/77/76/46/534777646.db2.gz FMBMHEZRPUDUOB-QWHCGFSZSA-N 2 0 259.397 2.734 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000360945083 524371919 /nfs/dbraw/zinc/37/19/19/524371919.db2.gz CRUGICKRBRTPAN-GOEBONIOSA-N 2 0 288.435 2.657 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000262045360 524436243 /nfs/dbraw/zinc/43/62/43/524436243.db2.gz YWIGPUHPKCXBAA-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOC1CCCCC1 ZINC000311023686 524453990 /nfs/dbraw/zinc/45/39/90/524453990.db2.gz MCAYRBGHDCFGGP-AWEZNQCLSA-N 2 0 256.434 2.833 20 0 CFADRP C[C@@H](CC[NH+](C)C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000049553800 524479288 /nfs/dbraw/zinc/47/92/88/524479288.db2.gz ZVIPPNCQKIDXIU-FUHWJXTLSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC000361594941 524482601 /nfs/dbraw/zinc/48/26/01/524482601.db2.gz RBWMGLRWXABZCB-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000311916848 524583843 /nfs/dbraw/zinc/58/38/43/524583843.db2.gz FXYMVFYNIVXSGA-AWEZNQCLSA-N 2 0 254.377 2.960 20 0 CFADRP C[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000339408757 524590163 /nfs/dbraw/zinc/59/01/63/524590163.db2.gz VGWWKLSYZMFAGZ-HOCLYGCPSA-N 2 0 262.397 2.515 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422912117 534803697 /nfs/dbraw/zinc/80/36/97/534803697.db2.gz VLAPMPKTVPYIJR-OCCSQVGLSA-N 2 0 281.469 2.752 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CCC([NH3+])CC1 ZINC000157490488 524739745 /nfs/dbraw/zinc/73/97/45/524739745.db2.gz GEPFIVRTSOABAG-LMWSTFAQSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000334801897 524827051 /nfs/dbraw/zinc/82/70/51/524827051.db2.gz PVVBQYNYGFVVEW-ZBEGNZNMSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339406934 524846493 /nfs/dbraw/zinc/84/64/93/524846493.db2.gz ICRGSNINLIXUBO-LSDHHAIUSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000361619385 524864893 /nfs/dbraw/zinc/86/48/93/524864893.db2.gz FSVHXEWBBNDUSG-ZDUSSCGKSA-N 2 0 289.423 2.944 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000334852863 524887257 /nfs/dbraw/zinc/88/72/57/524887257.db2.gz BGDMESPDUIQUBE-RISCZKNCSA-N 2 0 252.789 2.736 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000360700826 524902766 /nfs/dbraw/zinc/90/27/66/524902766.db2.gz DKHXJSYOUTZBMO-CZUORRHYSA-N 2 0 280.387 2.524 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)c21 ZINC000165241842 524921177 /nfs/dbraw/zinc/92/11/77/524921177.db2.gz POJBUAKEHIRFSA-HOCLYGCPSA-N 2 0 285.435 2.949 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1[NH3+] ZINC000336459766 524999763 /nfs/dbraw/zinc/99/97/63/524999763.db2.gz AXTXKYSIDFOWFF-DOMZBBRYSA-N 2 0 274.408 2.569 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000360840784 525081997 /nfs/dbraw/zinc/08/19/97/525081997.db2.gz OYTGVMVAECODDN-WBVHZDCISA-N 2 0 272.436 2.956 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1F ZINC000311144877 525157128 /nfs/dbraw/zinc/15/71/28/525157128.db2.gz LXFVNZLBPQCBSN-WDEREUQCSA-N 2 0 254.349 2.612 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000216012970 525237009 /nfs/dbraw/zinc/23/70/09/525237009.db2.gz NYHMOBWQBXDHJQ-OLZOCXBDSA-N 2 0 274.408 2.569 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccncc1F ZINC000340509627 525325871 /nfs/dbraw/zinc/32/58/71/525325871.db2.gz YISYJOHFKFYWHN-LBPRGKRZSA-N 2 0 277.387 2.746 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000049515150 525403880 /nfs/dbraw/zinc/40/38/80/525403880.db2.gz DXXRUUIOMHIPEK-SNVBAGLBSA-N 2 0 283.213 2.852 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000313926435 525409776 /nfs/dbraw/zinc/40/97/76/525409776.db2.gz XIKJSIIUCVCABR-JQHSSLGASA-N 2 0 288.435 2.741 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000314115563 525409835 /nfs/dbraw/zinc/40/98/35/525409835.db2.gz KBLWAEIIPYEVCG-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1(C)CC1 ZINC000361176561 525463647 /nfs/dbraw/zinc/46/36/47/525463647.db2.gz XEFMUGQDHOMBJL-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000361722185 525469857 /nfs/dbraw/zinc/46/98/57/525469857.db2.gz YZAABRSUIXTQLE-BFYDXBDKSA-N 2 0 276.424 2.692 20 0 CFADRP Cc1c(Br)cccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000334997249 525527930 /nfs/dbraw/zinc/52/79/30/525527930.db2.gz CIKAOVILISTZHP-UHFFFAOYSA-N 2 0 297.240 2.941 20 0 CFADRP Cc1ccn(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000365059409 525586210 /nfs/dbraw/zinc/58/62/10/525586210.db2.gz XQOUDMJQKLOXOW-INIZCTEOSA-N 2 0 290.455 2.703 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000334843409 526165463 /nfs/dbraw/zinc/16/54/63/526165463.db2.gz PWVCMOUAZOYCBO-UHFFFAOYSA-N 2 0 297.240 2.989 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000414840878 526285736 /nfs/dbraw/zinc/28/57/36/526285736.db2.gz XKMDERWXNQKKID-MRXNPFEDSA-N 2 0 275.440 2.539 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000414840874 526287512 /nfs/dbraw/zinc/28/75/12/526287512.db2.gz XKMDERWXNQKKID-INIZCTEOSA-N 2 0 275.440 2.539 20 0 CFADRP O[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000305168392 526305836 /nfs/dbraw/zinc/30/58/36/526305836.db2.gz TVBLORYVLYLKJY-QAPCUYQASA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415085694 526684643 /nfs/dbraw/zinc/68/46/43/526684643.db2.gz RAAXDQOCNRASDO-BHDPWAOGSA-N 2 0 282.472 2.935 20 0 CFADRP Cc1nocc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000339292138 526690175 /nfs/dbraw/zinc/69/01/75/526690175.db2.gz GGRLEEHBPRVFQK-UHFFFAOYSA-N 2 0 279.428 2.831 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423165633 526813482 /nfs/dbraw/zinc/81/34/82/526813482.db2.gz BIDADVCIIZNGNY-WFASDCNBSA-N 2 0 261.413 2.596 20 0 CFADRP Clc1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000310570243 527002325 /nfs/dbraw/zinc/00/23/25/527002325.db2.gz NTWMSGUUNIPQOE-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP CC(C)(CC[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000422559649 527030562 /nfs/dbraw/zinc/03/05/62/527030562.db2.gz DQQLFPUGXKXHFL-UHFFFAOYSA-N 2 0 269.392 2.966 20 0 CFADRP Cn1c2ccccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336468150 527115137 /nfs/dbraw/zinc/11/51/37/527115137.db2.gz QBFKCFYHVGWTOG-HNNXBMFYSA-N 2 0 298.434 2.537 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)cc2s1 ZINC000334839800 527138033 /nfs/dbraw/zinc/13/80/33/527138033.db2.gz BDTFPGVZMUSOQQ-ZWNOBZJWSA-N 2 0 275.421 2.692 20 0 CFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000422762851 527169665 /nfs/dbraw/zinc/16/96/65/527169665.db2.gz ONSSZLJTAFWFJO-XYPWUTKMSA-N 2 0 276.399 2.976 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccn1 ZINC000423146971 527176534 /nfs/dbraw/zinc/17/65/34/527176534.db2.gz QVOWFVYUTWONQU-ZIAGYGMSSA-N 2 0 261.413 2.609 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@@H]21 ZINC000230045267 527360724 /nfs/dbraw/zinc/36/07/24/527360724.db2.gz YCAZQHALJGUTMC-RRQGHBQHSA-N 2 0 292.398 2.654 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)c2ccccc21 ZINC000157418105 527418575 /nfs/dbraw/zinc/41/85/75/527418575.db2.gz CZWOIVUVWLBUOK-IRXDYDNUSA-N 2 0 268.360 2.669 20 0 CFADRP C(C1CCCCC1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783249 527474612 /nfs/dbraw/zinc/47/46/12/527474612.db2.gz PRTLPUKDXCUHIC-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423036760 527485560 /nfs/dbraw/zinc/48/55/60/527485560.db2.gz LMJMUTCQYUTSJR-TWMKSMIVSA-N 2 0 280.456 2.846 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423162406 527490264 /nfs/dbraw/zinc/49/02/64/527490264.db2.gz LDJHHNYLUQFSFQ-DMRKSPOLSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422799765 527538770 /nfs/dbraw/zinc/53/87/70/527538770.db2.gz YJRVVPGEEPSZLN-CQSZACIVSA-N 2 0 291.439 2.888 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000336116575 527569377 /nfs/dbraw/zinc/56/93/77/527569377.db2.gz IQNCTZSKCXDERI-WMLDXEAASA-N 2 0 282.391 2.950 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422897348 527646143 /nfs/dbraw/zinc/64/61/43/527646143.db2.gz ZQRLMKHFLDESCG-NUUXYWTLSA-N 2 0 294.483 2.948 20 0 CFADRP O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163273466 527663184 /nfs/dbraw/zinc/66/31/84/527663184.db2.gz HWLAUJBPJCHAAF-HOTGVXAUSA-N 2 0 292.423 2.653 20 0 CFADRP CCC[C@@H]1CCCC[C@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000423153850 527743098 /nfs/dbraw/zinc/74/30/98/527743098.db2.gz IFIJKHMUJBDOIF-OWCLPIDISA-N 2 0 270.461 2.936 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861472 527744320 /nfs/dbraw/zinc/74/43/20/527744320.db2.gz ZLMQTHZYZKJCLF-INIZCTEOSA-N 2 0 283.419 2.975 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)c2O1 ZINC000415038855 527777191 /nfs/dbraw/zinc/77/71/91/527777191.db2.gz NSOUUBMHAVYYHQ-DOMZBBRYSA-N 2 0 274.408 2.617 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414075968 527814553 /nfs/dbraw/zinc/81/45/53/527814553.db2.gz PQVPUHYHAFYJGQ-KFWWJZLASA-N 2 0 282.472 2.900 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCCC2 ZINC000422921252 527831128 /nfs/dbraw/zinc/83/11/28/527831128.db2.gz PHVGPMSARIVFEJ-PFUJJPPESA-N 2 0 292.467 2.987 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOCC(F)(F)F)[C@H](C)C1 ZINC000174771797 527831131 /nfs/dbraw/zinc/83/11/31/527831131.db2.gz GFANZQOADZYYIM-OLZOCXBDSA-N 2 0 296.377 2.618 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000423206903 527866654 /nfs/dbraw/zinc/86/66/54/527866654.db2.gz XECVOMRGOTWUKP-ZNMIVQPWSA-N 2 0 280.456 2.831 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@@H]1Oc1ccccc1 ZINC000423247093 527869730 /nfs/dbraw/zinc/86/97/30/527869730.db2.gz KRTDUBYTBRCWGU-OIISXLGYSA-N 2 0 288.435 2.822 20 0 CFADRP CC(C)OCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173948987 527935958 /nfs/dbraw/zinc/93/59/58/527935958.db2.gz SJFDHYFTGRLAMM-HNNXBMFYSA-N 2 0 256.434 2.608 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1(CC)CC ZINC000423249605 527939352 /nfs/dbraw/zinc/93/93/52/527939352.db2.gz OZSWUGBCHSINJQ-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1(C)C ZINC000423294369 527944346 /nfs/dbraw/zinc/94/43/46/527944346.db2.gz UHWYTHOYLVANDJ-VBNZEHGJSA-N 2 0 276.424 3.000 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422877038 527961110 /nfs/dbraw/zinc/96/11/10/527961110.db2.gz HFYOKAQXKRICGU-HOCLYGCPSA-N 2 0 289.423 2.642 20 0 CFADRP CC(C)COCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422781320 528094717 /nfs/dbraw/zinc/09/47/17/528094717.db2.gz IJOBTEBEXSLIGJ-NVXWUHKLSA-N 2 0 278.440 2.597 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000155336875 528118629 /nfs/dbraw/zinc/11/86/29/528118629.db2.gz AFUOQRZGHADUBU-AWEZNQCLSA-N 2 0 263.429 2.990 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422942490 528123652 /nfs/dbraw/zinc/12/36/52/528123652.db2.gz KMGMNDXFOSAEIH-KBPBESRZSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422854734 528150839 /nfs/dbraw/zinc/15/08/39/528150839.db2.gz BJVATEDZJOMOOE-DLBZAZTESA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000423301584 528154761 /nfs/dbraw/zinc/15/47/61/528154761.db2.gz HUDKQLOHJMKKAH-QGZVFWFLSA-N 2 0 258.409 2.996 20 0 CFADRP CC1CC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000192927856 528164576 /nfs/dbraw/zinc/16/45/76/528164576.db2.gz HOUKNZMZMSKZQJ-WIHSUSGWSA-N 2 0 258.409 2.897 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422837986 528172852 /nfs/dbraw/zinc/17/28/52/528172852.db2.gz NJTGTXKFCLBVRC-MWDXBVQZSA-N 2 0 281.488 2.617 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422738288 528187628 /nfs/dbraw/zinc/18/76/28/528187628.db2.gz JKUHMWSKRPAJRY-OKZBNKHCSA-N 3 0 293.499 2.619 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425346357 528189504 /nfs/dbraw/zinc/18/95/04/528189504.db2.gz KHEXKERYXPWYRF-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422779754 528190950 /nfs/dbraw/zinc/19/09/50/528190950.db2.gz GMVAHBCPOUVQDY-CRAIPNDOSA-N 2 0 289.467 2.616 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CCSCC)CC1 ZINC000132226992 528203408 /nfs/dbraw/zinc/20/34/08/528203408.db2.gz XLSXWKBFNLMAOS-ZDUSSCGKSA-N 2 0 258.475 2.982 20 0 CFADRP CC1CCN(C(=[NH2+])NCCCCC[NH+]2CCCC2)CC1 ZINC000414380544 528212575 /nfs/dbraw/zinc/21/25/75/528212575.db2.gz OOTBCFMKLCROIR-UHFFFAOYSA-N 2 0 280.460 2.509 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861453 528245751 /nfs/dbraw/zinc/24/57/51/528245751.db2.gz MRQQVLIRZDLAFR-BPUTZDHNSA-N 2 0 295.496 2.861 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422874890 528246617 /nfs/dbraw/zinc/24/66/17/528246617.db2.gz OESXIIIPPITDPO-GOEBONIOSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825526 528254987 /nfs/dbraw/zinc/25/49/87/528254987.db2.gz CLSBMCIOYPYCOT-CQSZACIVSA-N 2 0 262.397 2.563 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422731661 528281659 /nfs/dbraw/zinc/28/16/59/528281659.db2.gz MCTUJCQRPKXCPB-IXDOHACOSA-N 2 0 275.440 2.539 20 0 CFADRP CCCC[N@H+](C)CC1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414679257 528337894 /nfs/dbraw/zinc/33/78/94/528337894.db2.gz RRBVFLMDQNLKKQ-KRWDZBQOSA-N 2 0 283.504 2.804 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000414869418 528348958 /nfs/dbraw/zinc/34/89/58/528348958.db2.gz PZVQQOSYLHYYJH-UKRRQHHQSA-N 2 0 261.413 2.739 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccn1 ZINC000423330540 528358128 /nfs/dbraw/zinc/35/81/28/528358128.db2.gz CAWMQSIIIDKRLZ-MRXNPFEDSA-N 2 0 259.397 2.678 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423047194 528422837 /nfs/dbraw/zinc/42/28/37/528422837.db2.gz FVJBFFUCXPYZHV-KFWWJZLASA-N 2 0 256.434 2.687 20 0 CFADRP CCOc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000422764074 528425026 /nfs/dbraw/zinc/42/50/26/528425026.db2.gz PJWGICJQZZIQCI-UONOGXRCSA-N 2 0 294.439 2.742 20 0 CFADRP CCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177484176 528453920 /nfs/dbraw/zinc/45/39/20/528453920.db2.gz RLGUGFFNDDZJBM-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP CCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422896998 528455256 /nfs/dbraw/zinc/45/52/56/528455256.db2.gz BCTDZEUWFRIEMA-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP CCN(CCC[NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000422792275 528459753 /nfs/dbraw/zinc/45/97/53/528459753.db2.gz VZXBSZPXCUSJDE-OAHLLOKOSA-N 2 0 263.429 2.620 20 0 CFADRP CC(C)[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000422969240 528462664 /nfs/dbraw/zinc/46/26/64/528462664.db2.gz ZHONJELJDXWQCK-HRCADAONSA-N 2 0 269.477 2.602 20 0 CFADRP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414753495 528487290 /nfs/dbraw/zinc/48/72/90/528487290.db2.gz DSYPMTSKNLZSDQ-YQQAZPJKSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423314664 528489701 /nfs/dbraw/zinc/48/97/01/528489701.db2.gz YUVUKXJMPCPNOK-DZGCQCFKSA-N 2 0 266.454 2.988 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423299695 528491106 /nfs/dbraw/zinc/49/11/06/528491106.db2.gz QLEPWLKCTKGOCY-SWLSCSKDSA-N 2 0 252.377 2.577 20 0 CFADRP CCN(CC[NH2+][C@H](C)CCCC[NH3+])c1ccccc1C ZINC000422883221 528515451 /nfs/dbraw/zinc/51/54/51/528515451.db2.gz QBGQJMJXQDRSGI-MRXNPFEDSA-N 2 0 277.456 2.928 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1cccc(C)c1 ZINC000422758465 528515840 /nfs/dbraw/zinc/51/58/40/528515840.db2.gz DWSQGRZCRSTIOB-SJLPKXTDSA-N 2 0 289.467 2.799 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414840626 528516798 /nfs/dbraw/zinc/51/67/98/528516798.db2.gz MOUQJKVWWDPNIE-KBAYOESNSA-N 2 0 295.515 2.993 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414874918 528518016 /nfs/dbraw/zinc/51/80/16/528518016.db2.gz TVAARLFRDIAPPT-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000423263867 528534084 /nfs/dbraw/zinc/53/40/84/528534084.db2.gz BGURWCLOSSJVNC-IRXDYDNUSA-N 2 0 278.440 2.801 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1 ZINC000423276693 528594590 /nfs/dbraw/zinc/59/45/90/528594590.db2.gz OTRQHEDDSQKEGV-CHWSQXEVSA-N 2 0 250.386 2.591 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000422947287 528597659 /nfs/dbraw/zinc/59/76/59/528597659.db2.gz YCYOCQCQYJQZEC-CHWSQXEVSA-N 2 0 280.412 2.872 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1 ZINC000423276694 528606770 /nfs/dbraw/zinc/60/67/70/528606770.db2.gz OTRQHEDDSQKEGV-OLZOCXBDSA-N 2 0 250.386 2.591 20 0 CFADRP CCCc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000414677004 528634883 /nfs/dbraw/zinc/63/48/83/528634883.db2.gz VSHKUONCQKNYLG-ULQDDVLXSA-N 2 0 258.409 2.808 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449917 528638146 /nfs/dbraw/zinc/63/81/46/528638146.db2.gz WXSBIJSZXBQHFR-YLFCFFPRSA-N 2 0 294.483 2.948 20 0 CFADRP CCCc1csc(C[NH2+]CC2(C)CC[NH2+]CC2)n1 ZINC000414898043 528668081 /nfs/dbraw/zinc/66/80/81/528668081.db2.gz FSHQGFSEYDFASF-UHFFFAOYSA-N 2 0 267.442 2.575 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000442919697 528669267 /nfs/dbraw/zinc/66/92/67/528669267.db2.gz GAGZLVLRZUHUBV-CYBMUJFWSA-N 2 0 281.469 2.902 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422901263 528671010 /nfs/dbraw/zinc/67/10/10/528671010.db2.gz RTYZLLAILJHFNN-IRXDYDNUSA-N 2 0 276.424 2.877 20 0 CFADRP CCCCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414836492 528676000 /nfs/dbraw/zinc/67/60/00/528676000.db2.gz SQXVERVVFPEXAP-MRXNPFEDSA-N 2 0 276.424 2.955 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422899052 528687825 /nfs/dbraw/zinc/68/78/25/528687825.db2.gz NMAGDMNHPGBOBV-WMLDXEAASA-N 2 0 276.424 2.953 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422893875 528688513 /nfs/dbraw/zinc/68/85/13/528688513.db2.gz BELXDKUGVMALBJ-OLZOCXBDSA-N 2 0 250.386 2.691 20 0 CFADRP CCCCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423325016 528690527 /nfs/dbraw/zinc/69/05/27/528690527.db2.gz PRJGDOOBOUDGMY-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422899050 528690610 /nfs/dbraw/zinc/69/06/10/528690610.db2.gz NMAGDMNHPGBOBV-PBHICJAKSA-N 2 0 276.424 2.953 20 0 CFADRP CCOc1ccccc1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414669983 528722772 /nfs/dbraw/zinc/72/27/72/528722772.db2.gz CIQCNZPUJYIOBU-HUUCEWRRSA-N 2 0 276.424 2.905 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414897016 528758188 /nfs/dbraw/zinc/75/81/88/528758188.db2.gz CUKUASUOXXIGKU-KRWDZBQOSA-N 2 0 276.424 2.955 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423157544 528779650 /nfs/dbraw/zinc/77/96/50/528779650.db2.gz VOTXQPMFWDHKOO-ILOCAZANSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000414807466 528843335 /nfs/dbraw/zinc/84/33/35/528843335.db2.gz RAQQWDUNRSXNMF-HOTGVXAUSA-N 2 0 290.455 2.533 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000414811975 528952558 /nfs/dbraw/zinc/95/25/58/528952558.db2.gz QMGHWRGOVLTRHA-GFCCVEGCSA-N 2 0 295.402 2.650 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414810856 528954518 /nfs/dbraw/zinc/95/45/18/528954518.db2.gz OUDVBPKSDSFDRB-HNNXBMFYSA-N 2 0 276.424 2.660 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000414812718 528954641 /nfs/dbraw/zinc/95/46/41/528954641.db2.gz RMWQHVNFKOTESM-WBVHZDCISA-N 2 0 289.467 2.614 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423304026 528955449 /nfs/dbraw/zinc/95/54/49/528955449.db2.gz YCCOJUZBSIOFKW-KZNAEPCWSA-N 2 0 289.467 2.929 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423289353 528956074 /nfs/dbraw/zinc/95/60/74/528956074.db2.gz WYDGTJMBLNVFDT-UONOGXRCSA-N 2 0 270.461 2.933 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423300390 528957266 /nfs/dbraw/zinc/95/72/66/528957266.db2.gz RMNVHYNZGKFHCF-CGTJXYLNSA-N 2 0 289.467 2.757 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423300395 528957445 /nfs/dbraw/zinc/95/74/45/528957445.db2.gz RMNVHYNZGKFHCF-KBAYOESNSA-N 2 0 289.467 2.757 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414812651 528957564 /nfs/dbraw/zinc/95/75/64/528957564.db2.gz LDLSGFOCUPSSAV-ZACQAIPSSA-N 2 0 275.440 2.587 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422913948 529004928 /nfs/dbraw/zinc/00/49/28/529004928.db2.gz ZNZWNHKDSFFPRN-BRSBDYLESA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422733994 529025120 /nfs/dbraw/zinc/02/51/20/529025120.db2.gz BWAYLCNZBDSZPQ-BRSBDYLESA-N 3 0 293.499 2.617 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423335833 529028500 /nfs/dbraw/zinc/02/85/00/529028500.db2.gz XKNNOCKPIMBUGX-SJORKVTESA-N 2 0 276.424 2.555 20 0 CFADRP CCOCc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422827439 529042510 /nfs/dbraw/zinc/04/25/10/529042510.db2.gz DRPPEYWYLPYKCF-UHFFFAOYSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414801522 529068887 /nfs/dbraw/zinc/06/88/87/529068887.db2.gz UGJVJPMQZDBVLL-SMDDNHRTSA-N 2 0 254.805 2.844 20 0 CFADRP CC[C@@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422708211 529162260 /nfs/dbraw/zinc/16/22/60/529162260.db2.gz IKZRTPMFWANWFL-MSOLQXFVSA-N 2 0 290.451 2.756 20 0 CFADRP CC[C@@H]([NH2+]CCCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000423098221 529163251 /nfs/dbraw/zinc/16/32/51/529163251.db2.gz RTCBDAPFJVHHLP-CVEARBPZSA-N 2 0 264.388 2.879 20 0 CFADRP CC[C@@H]([NH2+]CCc1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422781825 529168950 /nfs/dbraw/zinc/16/89/50/529168950.db2.gz LBRWNBOESRDWNB-SJORKVTESA-N 2 0 260.425 2.966 20 0 CFADRP CC[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]1 ZINC000422753026 529169093 /nfs/dbraw/zinc/16/90/93/529169093.db2.gz DDNDJGOSIWWDOL-WBVHZDCISA-N 2 0 289.398 2.970 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cc(C)ccc1OC ZINC000423283099 529172490 /nfs/dbraw/zinc/17/24/90/529172490.db2.gz XCRWQNTYAGKCAR-DZGCQCFKSA-N 2 0 264.413 2.900 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702741 529191114 /nfs/dbraw/zinc/19/11/14/529191114.db2.gz JEGWTBZXPQGNAG-HZSPNIEDSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422727331 529274145 /nfs/dbraw/zinc/27/41/45/529274145.db2.gz HFAZENOIONRUJA-BZUAXINKSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422900276 529297962 /nfs/dbraw/zinc/29/79/62/529297962.db2.gz AHQHEOFDZBNRAT-ZACQAIPSSA-N 2 0 295.515 2.994 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422909342 529298052 /nfs/dbraw/zinc/29/80/52/529298052.db2.gz NUNKJNKLEUQRIV-XHSDSOJGSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414858033 529326752 /nfs/dbraw/zinc/32/67/52/529326752.db2.gz HMZMZFWLYBICCF-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1F ZINC000422819363 529369853 /nfs/dbraw/zinc/36/98/53/529369853.db2.gz MVHJPXQVCRRADA-IIAWOOMASA-N 2 0 294.414 2.961 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1F ZINC000422819364 529371114 /nfs/dbraw/zinc/37/11/14/529371114.db2.gz MVHJPXQVCRRADA-LZWOXQAQSA-N 2 0 294.414 2.961 20 0 CFADRP CCCC[C@H](CCC)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153328 535021079 /nfs/dbraw/zinc/02/10/79/535021079.db2.gz PDRJELGHDMWASV-INIZCTEOSA-N 2 0 297.487 2.665 20 0 CFADRP CC(C)Oc1ccc2[nH+]ccc(NC3CC[NH+](C)CC3)c2c1 ZINC000450224988 535022393 /nfs/dbraw/zinc/02/23/93/535022393.db2.gz XENMCZLQZBMSIL-UHFFFAOYSA-N 2 0 299.418 2.950 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCCCn2cccn2)CC1 ZINC000355394337 535151973 /nfs/dbraw/zinc/15/19/73/535151973.db2.gz RAFWYGLWMZGCGM-UHFFFAOYSA-N 2 0 292.471 2.858 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@H](C)C1 ZINC000433124418 535519587 /nfs/dbraw/zinc/51/95/87/535519587.db2.gz CEFIJGUSLZKQCB-GDBMZVCRSA-N 2 0 282.472 2.902 20 0 CFADRP CCSCC[NH2+]CCCCC[NH+]1CCCCC1 ZINC000355718328 535684399 /nfs/dbraw/zinc/68/43/99/535684399.db2.gz FHYFTGHUCGOFDN-UHFFFAOYSA-N 2 0 258.475 2.985 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000453065388 535740629 /nfs/dbraw/zinc/74/06/29/535740629.db2.gz UUHSPVIOZYLAGD-HIFRSBDPSA-N 2 0 295.496 2.733 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000459470058 536033638 /nfs/dbraw/zinc/03/36/38/536033638.db2.gz SYHRXKOAZGSSAS-UHFFFAOYSA-N 2 0 296.418 2.705 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1F ZINC000435381769 536517760 /nfs/dbraw/zinc/51/77/60/536517760.db2.gz XZEDRZJJYWOCKE-HEHGZKQESA-N 2 0 294.414 2.682 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000269066777 536674039 /nfs/dbraw/zinc/67/40/39/536674039.db2.gz ZBQSWHRWOAWINJ-HNNXBMFYSA-N 2 0 294.439 2.704 20 0 CFADRP Fc1ccc2oc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2c1 ZINC000666855456 545558944 /nfs/dbraw/zinc/55/89/44/545558944.db2.gz SKJNLQHOPKEGMW-ZDUSSCGKSA-N 2 0 262.328 2.804 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCCO)C[C@@H]1C ZINC000744404142 574072717 /nfs/dbraw/zinc/07/27/17/574072717.db2.gz IEWXEDRJJKVPDW-JKSUJKDBSA-N 2 0 270.461 2.734 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000729267252 574195529 /nfs/dbraw/zinc/19/55/29/574195529.db2.gz NNQSEQCDDKTFNB-MRXNPFEDSA-N 2 0 276.424 2.647 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000756116705 574210798 /nfs/dbraw/zinc/21/07/98/574210798.db2.gz NVNFCAOOSNNJMP-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2C)C1 ZINC000747960696 574222261 /nfs/dbraw/zinc/22/22/61/574222261.db2.gz HUNHMFBJWRJDSG-AEFFLSMTSA-N 2 0 290.451 2.692 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C[C@H]1OC ZINC000090462025 574292027 /nfs/dbraw/zinc/29/20/27/574292027.db2.gz PIFOAZMOQMYYIB-NUEKZKHPSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C1CC[NH+](C)CC1 ZINC000396443763 574292416 /nfs/dbraw/zinc/29/24/16/574292416.db2.gz ATXINRAFITYJCS-ZBFHGGJFSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1 ZINC000668742958 574321190 /nfs/dbraw/zinc/32/11/90/574321190.db2.gz DNTUAZNCCMQPQD-FGTMMUONSA-N 2 0 288.410 2.928 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000396436962 574354859 /nfs/dbraw/zinc/35/48/59/574354859.db2.gz HCNDMKCTUXGZQL-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CSC1 ZINC000396446912 574355094 /nfs/dbraw/zinc/35/50/94/574355094.db2.gz ITIXNLNTKZWKBW-UHFFFAOYSA-N 2 0 264.438 2.733 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CSC2)cc1 ZINC000396449389 574355111 /nfs/dbraw/zinc/35/51/11/574355111.db2.gz KVKBLXQFQOKSRA-UHFFFAOYSA-N 2 0 264.438 2.733 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000396445368 574355118 /nfs/dbraw/zinc/35/51/18/574355118.db2.gz DFHFMDVTHPGQOG-IMJJTQAJSA-N 2 0 268.445 2.510 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1F ZINC000396459587 574355144 /nfs/dbraw/zinc/35/51/44/574355144.db2.gz OYSBTTWLRMPOCE-LBPRGKRZSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396452554 574355247 /nfs/dbraw/zinc/35/52/47/574355247.db2.gz HSHAQBAKCGBOFA-KDOFPFPSSA-N 2 0 288.435 2.620 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924773291 620652728 /nfs/dbraw/zinc/65/27/28/620652728.db2.gz JPWCNKSOLUFKLS-FVPDABNVSA-N 2 0 268.445 2.652 20 0 CFADRP Cn1cccc1[C@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891504024 617640354 /nfs/dbraw/zinc/64/03/54/617640354.db2.gz ZRWKYLWPIMLAOR-MRXNPFEDSA-N 2 0 261.413 2.504 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000891775841 617746190 /nfs/dbraw/zinc/74/61/90/617746190.db2.gz SNHDUPRQMSLPGR-UHFFFAOYSA-N 2 0 280.412 2.842 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC000933732849 617761016 /nfs/dbraw/zinc/76/10/16/617761016.db2.gz CMKKKDHGIBZCTJ-NUJGCVRESA-N 2 0 270.420 2.600 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733308 617761974 /nfs/dbraw/zinc/76/19/74/617761974.db2.gz IAKSWYMYNLALJM-FXUDXRNXSA-N 2 0 250.430 2.696 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@]2(C)C1 ZINC000933737226 617765155 /nfs/dbraw/zinc/76/51/55/617765155.db2.gz NGXHJCCRWAHFGV-WBVHZDCISA-N 2 0 276.399 2.642 20 0 CFADRP CCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000891943470 617842178 /nfs/dbraw/zinc/84/21/78/617842178.db2.gz RVFGGEMMHXUIJJ-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000891943693 617842395 /nfs/dbraw/zinc/84/23/95/617842395.db2.gz UQEJLSBEZNQANE-INIZCTEOSA-N 2 0 276.399 2.957 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308154 617859456 /nfs/dbraw/zinc/85/94/56/617859456.db2.gz MTUPEPBVCZFXEQ-IAGOWNOFSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1cccc([C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)n1 ZINC000892056021 617929891 /nfs/dbraw/zinc/92/98/91/617929891.db2.gz YKKAVGOTUVFVPJ-QGZVFWFLSA-N 2 0 273.424 2.869 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCC(OC)CC2)C[C@H]1C ZINC000892104494 617951903 /nfs/dbraw/zinc/95/19/03/617951903.db2.gz RZIBERLYSKOFEG-KZYLPZIUSA-N 2 0 282.472 2.996 20 0 CFADRP COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(C)c1 ZINC000892105033 617952929 /nfs/dbraw/zinc/95/29/29/617952929.db2.gz HOMCIHOKMDULKO-ZBFHGGJFSA-N 2 0 276.424 2.918 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2nccc3c2CCCC3)CC[N@@H+]1C ZINC000892106051 617955109 /nfs/dbraw/zinc/95/51/09/617955109.db2.gz SMROCOXOPCZMHJ-GOEBONIOSA-N 2 0 287.451 2.875 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2cccc(C)c2)CC1 ZINC000048437033 617973353 /nfs/dbraw/zinc/97/33/53/617973353.db2.gz ZANGNWOSGNYKOL-UHFFFAOYSA-N 2 0 276.424 2.838 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000051919687 618104845 /nfs/dbraw/zinc/10/48/45/618104845.db2.gz YOOOKIFINMVKOU-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261570552 618106599 /nfs/dbraw/zinc/10/65/99/618106599.db2.gz KNCJWWMZZWNHMN-MGPQQGTHSA-N 2 0 268.470 2.782 20 0 CFADRP CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000313237762 618179429 /nfs/dbraw/zinc/17/94/29/618179429.db2.gz VRCIKAYTRWNLSJ-KRWDZBQOSA-N 2 0 288.435 2.723 20 0 CFADRP c1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000249900988 618209097 /nfs/dbraw/zinc/20/90/97/618209097.db2.gz HQIMLSFYYJUQEA-BRWVUGGUSA-N 2 0 273.424 2.525 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2[nH]nc(C)c2C)CC1 ZINC000893941461 618247187 /nfs/dbraw/zinc/24/71/87/618247187.db2.gz ZEZBAYDDEIZLTN-UHFFFAOYSA-N 2 0 278.444 2.580 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924526234 618252603 /nfs/dbraw/zinc/25/26/03/618252603.db2.gz JFFLCUMUYCQGIK-NVXWUHKLSA-N 2 0 289.467 2.970 20 0 CFADRP Cc1n[nH]c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000893966405 618254595 /nfs/dbraw/zinc/25/45/95/618254595.db2.gz AIGKWHRPABQCAS-UHFFFAOYSA-N 2 0 278.444 2.579 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925574004 618255353 /nfs/dbraw/zinc/25/53/53/618255353.db2.gz QYLXLXHCEVHVFQ-SQNIBIBYSA-N 2 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925575522 618256585 /nfs/dbraw/zinc/25/65/85/618256585.db2.gz VMISMMDBLYUCER-DJIMGWMZSA-N 2 0 275.440 2.539 20 0 CFADRP CO[C@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1Cl ZINC000925583449 618269170 /nfs/dbraw/zinc/26/91/70/618269170.db2.gz LHGCZSNITBHMBZ-HUUCEWRRSA-N 2 0 294.826 2.902 20 0 CFADRP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893305414 618290396 /nfs/dbraw/zinc/29/03/96/618290396.db2.gz RKXBDXBYKQXSMJ-SUMWQHHRSA-N 2 0 294.414 2.833 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893305410 618290707 /nfs/dbraw/zinc/29/07/07/618290707.db2.gz RKXBDXBYKQXSMJ-DYVFJYSZSA-N 2 0 294.414 2.833 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000894037370 618291420 /nfs/dbraw/zinc/29/14/20/618291420.db2.gz JEUZMEIDMWNOSA-JHJVBQTASA-N 2 0 289.261 2.576 20 0 CFADRP CC[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+]1CCCC1 ZINC000925606312 618292998 /nfs/dbraw/zinc/29/29/98/618292998.db2.gz NAPJCOZRUNILHS-SQNIBIBYSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)o1 ZINC000925606237 618293237 /nfs/dbraw/zinc/29/32/37/618293237.db2.gz MIKDIFHOSZANFY-STQMWFEESA-N 2 0 250.386 2.626 20 0 CFADRP CCc1onc(C)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894068613 618304592 /nfs/dbraw/zinc/30/45/92/618304592.db2.gz WOVUBEHBFSIAAH-UHFFFAOYSA-N 2 0 277.412 2.509 20 0 CFADRP CCOC[C@H](C)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110365 618306763 /nfs/dbraw/zinc/30/67/63/618306763.db2.gz JOSYFDOWHOKLAC-KKUMJFAQSA-N 2 0 277.412 2.583 20 0 CFADRP C[C@@H]1CC[C@@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110600 618306884 /nfs/dbraw/zinc/30/68/84/618306884.db2.gz QDVQKDVWAPLXRR-TUVASFSCSA-N 2 0 259.397 2.956 20 0 CFADRP CCCC(O)(CCC)CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925611068 618308697 /nfs/dbraw/zinc/30/86/97/618308697.db2.gz KFWGOBWMBSPIBE-GOEBONIOSA-N 2 0 278.440 2.996 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925614978 618317223 /nfs/dbraw/zinc/31/72/23/618317223.db2.gz DDQCUXOCGOOYLK-ZACQAIPSSA-N 2 0 295.515 2.850 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925616765 618324415 /nfs/dbraw/zinc/32/44/15/618324415.db2.gz UIJIAPMYPOBJKR-JHNDHUHGSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H](CCCO)c1ccccc1)[NH2+]2 ZINC000925623955 618345915 /nfs/dbraw/zinc/34/59/15/618345915.db2.gz UWZREZJRBRATIV-DEORAPPZSA-N 2 0 288.435 2.619 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925625717 618348037 /nfs/dbraw/zinc/34/80/37/618348037.db2.gz KGLRADXWWHYTMY-KRWDZBQOSA-N 2 0 298.434 2.717 20 0 CFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925629859 618356937 /nfs/dbraw/zinc/35/69/37/618356937.db2.gz LZBJXSRUOCBLLC-WMLDXEAASA-N 2 0 270.420 2.666 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000261712610 618358670 /nfs/dbraw/zinc/35/86/70/618358670.db2.gz JMZRJMNUSBPJSL-KLHDSHLOSA-N 2 0 294.464 2.682 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000895136797 618365432 /nfs/dbraw/zinc/36/54/32/618365432.db2.gz KFHQHABRZUYXOG-OLZOCXBDSA-N 2 0 291.277 2.727 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925634675 618367884 /nfs/dbraw/zinc/36/78/84/618367884.db2.gz JTGKTDDNSOBMEZ-MWNCTCPHSA-N 2 0 292.398 2.761 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262150040 618368770 /nfs/dbraw/zinc/36/87/70/618368770.db2.gz ZVVMGMISLHJOEZ-HNNXBMFYSA-N 2 0 282.815 2.650 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924539939 618372332 /nfs/dbraw/zinc/37/23/32/618372332.db2.gz IAZZSODXSYCVTF-CQSZACIVSA-N 2 0 277.456 2.739 20 0 CFADRP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC1CC[NH+](C)CC1 ZINC000895140645 618372741 /nfs/dbraw/zinc/37/27/41/618372741.db2.gz OZPRYCRTRBETFI-UKRRQHHQSA-N 2 0 296.455 2.523 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000893330480 618378984 /nfs/dbraw/zinc/37/89/84/618378984.db2.gz JLWQBWPGRHSNCH-UHFFFAOYSA-N 2 0 288.366 2.883 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926665732 618381911 /nfs/dbraw/zinc/38/19/11/618381911.db2.gz KZZBRPNWRSEFCV-GRDNDAEWSA-N 2 0 290.451 2.905 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C(C)(C)O)cc1 ZINC000926665731 618382281 /nfs/dbraw/zinc/38/22/81/618382281.db2.gz KZZBRPNWRSEFCV-CPUCHLNUSA-N 2 0 290.451 2.905 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nccs1 ZINC000925647442 618393947 /nfs/dbraw/zinc/39/39/47/618393947.db2.gz CAVSIPXXCCYPLN-QNWHQSFQSA-N 2 0 279.453 2.613 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925647681 618395220 /nfs/dbraw/zinc/39/52/20/618395220.db2.gz FKNJYKFZZNRGTH-ZZVYKPCYSA-N 2 0 293.480 2.921 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000235656198 618401957 /nfs/dbraw/zinc/40/19/57/618401957.db2.gz ZNAXXFIGUQWKQU-JSGCOSHPSA-N 2 0 250.361 2.551 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)C[C@@H]([NH3+])C1 ZINC000925665110 618429773 /nfs/dbraw/zinc/42/97/73/618429773.db2.gz ILDZWOWHKJWHLF-PMPSAXMXSA-N 2 0 288.435 2.876 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925670382 618437892 /nfs/dbraw/zinc/43/78/92/618437892.db2.gz JJGFFTJPXUEVSI-ZWKOTPCHSA-N 2 0 289.467 2.931 20 0 CFADRP FC1(F)CCCC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925672300 618444594 /nfs/dbraw/zinc/44/45/94/618444594.db2.gz HAZZTLBNLBWTJE-GXYBRJDSSA-N 2 0 284.394 2.788 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C12CCC2 ZINC000925678184 618456397 /nfs/dbraw/zinc/45/63/97/618456397.db2.gz DBHFUFWKQQQAQX-OIISXLGYSA-N 2 0 270.420 2.966 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925678854 618456904 /nfs/dbraw/zinc/45/69/04/618456904.db2.gz XPCGEOQSMRPNRV-IAGOWNOFSA-N 2 0 294.483 2.951 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925678851 618457604 /nfs/dbraw/zinc/45/76/04/618457604.db2.gz XPCGEOQSMRPNRV-DLBZAZTESA-N 2 0 294.483 2.951 20 0 CFADRP Cc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925680230 618459463 /nfs/dbraw/zinc/45/94/63/618459463.db2.gz PCJXOKHJABXUNW-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(Cl)Cl ZINC000925681847 618463452 /nfs/dbraw/zinc/46/34/52/618463452.db2.gz QWPYYWTVLMIBSV-XZUYRWCXSA-N 2 0 291.266 2.937 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925681777 618464059 /nfs/dbraw/zinc/46/40/59/618464059.db2.gz XSXGDTKVMXABNO-QJPTWQEYSA-N 2 0 296.377 2.840 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925685746 618479469 /nfs/dbraw/zinc/47/94/69/618479469.db2.gz OUMOGFBJBQMNAH-XZJROXQQSA-N 2 0 292.398 2.625 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000925685443 618479926 /nfs/dbraw/zinc/47/99/26/618479926.db2.gz NJMIJJSWRABDCA-GDBMZVCRSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H](C[NH2+]CC[C@H](C)[NH+](C)C)c1cc(F)cc(F)c1 ZINC000895291687 618511510 /nfs/dbraw/zinc/51/15/10/618511510.db2.gz AXLLTZNSVRDBJY-RYUDHWBXSA-N 2 0 270.367 2.998 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294572 618514143 /nfs/dbraw/zinc/51/41/43/618514143.db2.gz RRPABZTYNPDTRF-OLZOCXBDSA-N 2 0 254.443 2.999 20 0 CFADRP C[C@@H](CCNCc1cnc(-c2ccncc2)s1)[NH+](C)C ZINC000895293197 618515620 /nfs/dbraw/zinc/51/56/20/618515620.db2.gz WABWHMBVGAMLLP-LBPRGKRZSA-N 2 0 290.436 2.635 20 0 CFADRP C[C@H](CCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000895296277 618517988 /nfs/dbraw/zinc/51/79/88/618517988.db2.gz FEESCYOYJMIMBE-NUJGCVRESA-N 2 0 289.467 2.752 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000895406829 618570352 /nfs/dbraw/zinc/57/03/52/618570352.db2.gz XQUSORKJMBPKDY-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CCC(F)CC1 ZINC000895438302 618586613 /nfs/dbraw/zinc/58/66/13/618586613.db2.gz NOMMBOZXHRUGEQ-GRTSSRMGSA-N 2 0 256.409 2.835 20 0 CFADRP COC1CCC(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000895472732 618602356 /nfs/dbraw/zinc/60/23/56/618602356.db2.gz KIVGCUZXEGRKBU-UHFFFAOYSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924571288 618619539 /nfs/dbraw/zinc/61/95/39/618619539.db2.gz FGYRWMOIPHWHOA-CVEARBPZSA-N 2 0 275.440 2.867 20 0 CFADRP CC(C)CCCC[NH2+]CCCC[NH+]1CCOCC1 ZINC000892595836 618647532 /nfs/dbraw/zinc/64/75/32/618647532.db2.gz YRNCWNRODLJCCQ-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP COC1CCC(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000892633789 618664973 /nfs/dbraw/zinc/66/49/73/618664973.db2.gz YNSQOBJWMOSTFO-GTPINHCMSA-N 2 0 282.472 2.903 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926778073 618670378 /nfs/dbraw/zinc/67/03/78/618670378.db2.gz IKIGDEFIOBDMFI-ILXRZTDVSA-N 2 0 268.470 2.736 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000311278143 618700287 /nfs/dbraw/zinc/70/02/87/618700287.db2.gz NSMBAFOKUDVWRT-UHFFFAOYSA-N 2 0 257.381 2.666 20 0 CFADRP CC1(O)CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000892751035 618739595 /nfs/dbraw/zinc/73/95/95/618739595.db2.gz QQTWUSBMWJVSMT-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000892760287 618742178 /nfs/dbraw/zinc/74/21/78/618742178.db2.gz NAHANUFMOUOSNZ-UHFFFAOYSA-N 2 0 289.398 2.781 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000892882450 618762896 /nfs/dbraw/zinc/76/28/96/618762896.db2.gz NLIZDRQBWUSXNO-UHFFFAOYSA-N 3 0 281.488 2.574 20 0 CFADRP c1cn(C2CC2)c(C[NH2+]CCCCC[NH+]2CCCCC2)n1 ZINC000892882746 618763008 /nfs/dbraw/zinc/76/30/08/618763008.db2.gz PXVSQZJMLPZDTH-UHFFFAOYSA-N 2 0 290.455 2.964 20 0 CFADRP COCCCC1(C[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000892944026 618776604 /nfs/dbraw/zinc/77/66/04/618776604.db2.gz NEUVPCAUKRFISY-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924618326 618808232 /nfs/dbraw/zinc/80/82/32/618808232.db2.gz XXHQXOSLVQIGDI-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925501408 618822286 /nfs/dbraw/zinc/82/22/86/618822286.db2.gz CEXUHMNRVZQRFE-KBUPBQIOSA-N 2 0 280.456 2.687 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000893078988 618823243 /nfs/dbraw/zinc/82/32/43/618823243.db2.gz SWDHOSKIPQJTOT-ZDUSSCGKSA-N 2 0 264.413 2.841 20 0 CFADRP CC[C@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000893096121 618829543 /nfs/dbraw/zinc/82/95/43/618829543.db2.gz CKHKKUNYJJAVID-MRXNPFEDSA-N 2 0 294.414 2.915 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000925507751 618836965 /nfs/dbraw/zinc/83/69/65/618836965.db2.gz XGJVVXNGIFIBIM-QWHCGFSZSA-N 2 0 250.361 2.821 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000925510317 618846949 /nfs/dbraw/zinc/84/69/49/618846949.db2.gz UTRYOAZQIAJPEJ-SNRMKQJTSA-N 2 0 297.446 2.967 20 0 CFADRP C[C@H]([NH3+])[C@H](NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925510947 618848781 /nfs/dbraw/zinc/84/87/81/618848781.db2.gz CONZAWQILUTNAI-WMZOPIPTSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cc1cccs1 ZINC000925514134 618852949 /nfs/dbraw/zinc/85/29/49/618852949.db2.gz DITKGJOIKJWPNY-JSGCOSHPSA-N 2 0 264.438 2.801 20 0 CFADRP CO[C@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925514908 618853447 /nfs/dbraw/zinc/85/34/47/618853447.db2.gz GXYUOABHYWZHBR-HUUCEWRRSA-N 2 0 294.826 2.902 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(Cl)cc1 ZINC000925515958 618855102 /nfs/dbraw/zinc/85/51/02/618855102.db2.gz JWLIFMQAOAHEDA-RBSFLKMASA-N 2 0 294.826 2.887 20 0 CFADRP CC[NH+]1CCC(CCN[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925515997 618855633 /nfs/dbraw/zinc/85/56/33/618855633.db2.gz KKHSBBSIXOXSOO-QAPCUYQASA-N 2 0 289.467 2.787 20 0 CFADRP C(CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH+]1CCCCC1 ZINC000925520750 618859016 /nfs/dbraw/zinc/85/90/16/618859016.db2.gz SMFUZOXUSHOEEQ-MSOLQXFVSA-N 2 0 293.499 2.620 20 0 CFADRP C[C@@H](OCCC[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925520746 618859068 /nfs/dbraw/zinc/85/90/68/618859068.db2.gz SLKKWKRDCMPKKL-ZBFHGGJFSA-N 2 0 276.424 2.884 20 0 CFADRP CC(C)COCCC[NH2+][C@H](c1ccccc1)[C@H](C)N ZINC000925522256 618861244 /nfs/dbraw/zinc/86/12/44/618861244.db2.gz YNFQFGURATXFBW-HOCLYGCPSA-N 2 0 264.413 2.727 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000925524085 618866448 /nfs/dbraw/zinc/86/64/48/618866448.db2.gz QNAJTJXROWUCMM-AEFFLSMTSA-N 2 0 295.515 2.815 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000925524088 618866481 /nfs/dbraw/zinc/86/64/81/618866481.db2.gz QNAJTJXROWUCMM-SJLPKXTDSA-N 2 0 295.515 2.815 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925525361 618869283 /nfs/dbraw/zinc/86/92/83/618869283.db2.gz HQQWWWRIPFEIOJ-HOTGVXAUSA-N 2 0 276.424 2.829 20 0 CFADRP CCc1onc(C)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000893188330 618872067 /nfs/dbraw/zinc/87/20/67/618872067.db2.gz YJNPVDNASUXFHD-UHFFFAOYSA-N 2 0 279.428 2.755 20 0 CFADRP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)c1ccc(Cl)cc1 ZINC000925527865 618877596 /nfs/dbraw/zinc/87/75/96/618877596.db2.gz ADGDVEZGEMTBMH-LSDHHAIUSA-N 2 0 295.858 2.673 20 0 CFADRP CC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1F ZINC000925529536 618881501 /nfs/dbraw/zinc/88/15/01/618881501.db2.gz FHFSFLDCKNUDID-KCXAZCMYSA-N 2 0 292.398 2.843 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCCC3(CCC3)O1)C2 ZINC000930602537 618885620 /nfs/dbraw/zinc/88/56/20/618885620.db2.gz WCRGPGCSFNLWNN-IRXDYDNUSA-N 2 0 292.467 2.896 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](C3CCCC3)CC1)[NH2+]2 ZINC000925534839 618888701 /nfs/dbraw/zinc/88/87/01/618888701.db2.gz QCGVIBNAKPJSQY-OXXUSNJHSA-N 2 0 291.483 2.512 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000925536508 618889773 /nfs/dbraw/zinc/88/97/73/618889773.db2.gz FFYGPIOVIDVMQK-YJBOKZPZSA-N 2 0 287.451 2.541 20 0 CFADRP c1ccc(NCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925538087 618893290 /nfs/dbraw/zinc/89/32/90/618893290.db2.gz QTBBUXPYRLOIHK-ROUUACIJSA-N 2 0 287.451 2.856 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925544125 618904044 /nfs/dbraw/zinc/90/40/44/618904044.db2.gz YNOWLGJJPNKQHQ-VHDGCEQUSA-N 2 0 261.413 2.508 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925560495 618925060 /nfs/dbraw/zinc/92/50/60/618925060.db2.gz YDKOJQDPDBYJCH-IXDOHACOSA-N 3 0 293.499 2.619 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C[C@H]1CCOC1 ZINC000925687347 618930979 /nfs/dbraw/zinc/93/09/79/618930979.db2.gz JGGRMRPBYRMKHM-BHYGNILZSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925690494 618934970 /nfs/dbraw/zinc/93/49/70/618934970.db2.gz GNPDDWQDDGGFFG-SJORKVTESA-N 2 0 287.451 2.684 20 0 CFADRP N[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925693111 618938226 /nfs/dbraw/zinc/93/82/26/618938226.db2.gz OLLYHOGXOWRLOA-MSOLQXFVSA-N 2 0 283.419 2.756 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1cccnc1 ZINC000925694396 618942426 /nfs/dbraw/zinc/94/24/26/618942426.db2.gz UCNSDWAYLMLFOT-PMPSAXMXSA-N 2 0 287.451 2.725 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000925699983 618952345 /nfs/dbraw/zinc/95/23/45/618952345.db2.gz QVCONONUJZQOLY-CRAIPNDOSA-N 2 0 289.467 2.977 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925702063 618954996 /nfs/dbraw/zinc/95/49/96/618954996.db2.gz KEEIBLBACCMWQJ-HUUCEWRRSA-N 2 0 275.440 2.737 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925702359 618955374 /nfs/dbraw/zinc/95/53/74/618955374.db2.gz OIRGCYCASIFHKH-KBXCAEBGSA-N 2 0 283.419 2.584 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925702361 618955377 /nfs/dbraw/zinc/95/53/77/618955377.db2.gz OIRGCYCASIFHKH-KSSFIOAISA-N 2 0 283.419 2.584 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)C12CCC2 ZINC000925705765 618960347 /nfs/dbraw/zinc/96/03/47/618960347.db2.gz LRXJGEUBOISCBH-SJORKVTESA-N 2 0 281.403 2.637 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C)[NH2+]2 ZINC000925710497 618964218 /nfs/dbraw/zinc/96/42/18/618964218.db2.gz LDQKZTBCINSLMW-ULXLPNHUSA-N 2 0 250.430 2.930 20 0 CFADRP CCC(CC)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893400505 618968398 /nfs/dbraw/zinc/96/83/98/618968398.db2.gz FMGLPXJFJVTNAS-DLBZAZTESA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313027728 618972285 /nfs/dbraw/zinc/97/22/85/618972285.db2.gz GPQLXSWRRFSVGL-IAGOWNOFSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925717347 618974671 /nfs/dbraw/zinc/97/46/71/618974671.db2.gz JGTSIJAXVYJYFR-SJORKVTESA-N 2 0 273.424 2.648 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000931436102 618974707 /nfs/dbraw/zinc/97/47/07/618974707.db2.gz FWSRXPHLIIOMQD-VYDXJSESSA-N 2 0 256.393 2.557 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCC2SCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925718263 618975746 /nfs/dbraw/zinc/97/57/46/618975746.db2.gz YUEULWPZIHDRGT-WXHSDQCUSA-N 2 0 286.510 2.549 20 0 CFADRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1CCC2 ZINC000257690103 618991095 /nfs/dbraw/zinc/99/10/95/618991095.db2.gz NJAYPZRYNDLZHG-UHFFFAOYSA-N 2 0 270.420 2.751 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000925725503 619005419 /nfs/dbraw/zinc/00/54/19/619005419.db2.gz LHQBBVQTUNSHEL-FPCVCCKLSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3cccnc3c2)C12CCC2 ZINC000925725735 619006240 /nfs/dbraw/zinc/00/62/40/619006240.db2.gz NJAIFYUIZDLOBD-HOTGVXAUSA-N 2 0 267.376 2.594 20 0 CFADRP CCCCC[N@H+](CCCOC)CC1CC[NH+](C)CC1 ZINC000893474806 619011890 /nfs/dbraw/zinc/01/18/90/619011890.db2.gz FMIBWIVJZUWVBB-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000893474274 619012284 /nfs/dbraw/zinc/01/22/84/619012284.db2.gz ALSQOFOKFDUMER-QGZVFWFLSA-N 2 0 288.435 2.729 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000893474271 619012337 /nfs/dbraw/zinc/01/23/37/619012337.db2.gz ALSQOFOKFDUMER-KRWDZBQOSA-N 2 0 288.435 2.729 20 0 CFADRP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893479682 619014156 /nfs/dbraw/zinc/01/41/56/619014156.db2.gz YILZIKODNOKTOJ-WCQYABFASA-N 2 0 278.362 2.991 20 0 CFADRP C[C@H]1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC000893494981 619020076 /nfs/dbraw/zinc/02/00/76/619020076.db2.gz UBZJKTPDUXNWDV-GOEBONIOSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H]2CCCC[C@@H]12 ZINC000893496422 619020987 /nfs/dbraw/zinc/02/09/87/619020987.db2.gz BJZUOLCGMROJEC-KBMXLJTQSA-N 2 0 250.430 2.839 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(O)cc1 ZINC000093515952 619034596 /nfs/dbraw/zinc/03/45/96/619034596.db2.gz ZRGHHCUSHHMEHW-HOCLYGCPSA-N 2 0 276.424 2.835 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925732412 619040793 /nfs/dbraw/zinc/04/07/93/619040793.db2.gz GOFYDTUCYKUBCY-NSHDSACASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCC(C)(C)[NH3+])CCCN1Cc1ccccc1 ZINC000925736784 619046027 /nfs/dbraw/zinc/04/60/27/619046027.db2.gz CEFIXGKDLURLTR-WBVHZDCISA-N 2 0 289.467 2.757 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000925737170 619046731 /nfs/dbraw/zinc/04/67/31/619046731.db2.gz GTEIONANJJKITD-INIZCTEOSA-N 2 0 298.434 2.967 20 0 CFADRP FC1(F)CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925738828 619048756 /nfs/dbraw/zinc/04/87/56/619048756.db2.gz ZWHCVUQSAMYRMZ-ACJTYDJDSA-N 2 0 258.356 2.685 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)[C@@H]1OC ZINC000925740658 619051106 /nfs/dbraw/zinc/05/11/06/619051106.db2.gz KKRZJZDGEVEDCF-XQQFMLRXSA-N 2 0 256.434 2.543 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000925755315 619065601 /nfs/dbraw/zinc/06/56/01/619065601.db2.gz DHNGLJXHKUHTHM-ZDUSSCGKSA-N 2 0 274.408 2.981 20 0 CFADRP CCO[C@H]1C[C@H]([NH+]2CCC([NH3+])(CC)CC2)C12CCCC2 ZINC000925756291 619066397 /nfs/dbraw/zinc/06/63/97/619066397.db2.gz KHDXHMPYKSWVRO-GJZGRUSLSA-N 2 0 280.456 2.928 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(CC)CC2)C12CCCC2 ZINC000925756293 619066399 /nfs/dbraw/zinc/06/63/99/619066399.db2.gz KHDXHMPYKSWVRO-HUUCEWRRSA-N 2 0 280.456 2.928 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925765399 619076299 /nfs/dbraw/zinc/07/62/99/619076299.db2.gz BFCDMCPVZZEKFX-LRDDRELGSA-N 2 0 271.364 2.530 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249049910 619087630 /nfs/dbraw/zinc/08/76/30/619087630.db2.gz XGFPWIFDFOKBQL-JKSUJKDBSA-N 2 0 266.429 2.637 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000925774407 619091749 /nfs/dbraw/zinc/09/17/49/619091749.db2.gz NDYSLYMCHJKGHE-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000925782773 619105335 /nfs/dbraw/zinc/10/53/35/619105335.db2.gz MQIWWJDZQWATFS-GJZGRUSLSA-N 2 0 280.362 2.972 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000094370876 619106256 /nfs/dbraw/zinc/10/62/56/619106256.db2.gz XWGLCPDRGIBRCU-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000925784671 619110029 /nfs/dbraw/zinc/11/00/29/619110029.db2.gz JYMFIBWXDORKQD-TXCZRRACSA-N 2 0 273.424 2.553 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796756 619119254 /nfs/dbraw/zinc/11/92/54/619119254.db2.gz DGDGTCFKIKDIRQ-DVOMOZLQSA-N 2 0 289.423 2.541 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1Cl ZINC000925799219 619120756 /nfs/dbraw/zinc/12/07/56/619120756.db2.gz OCFPBIVLFZXJAD-IJLUTSLNSA-N 2 0 267.804 2.631 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000925800943 619121913 /nfs/dbraw/zinc/12/19/13/619121913.db2.gz HECNNIBNQGFDJU-TUVASFSCSA-N 2 0 250.430 2.918 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000925800937 619121987 /nfs/dbraw/zinc/12/19/87/619121987.db2.gz HECNNIBNQGFDJU-BARDWOONSA-N 2 0 250.430 2.918 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803439 619123700 /nfs/dbraw/zinc/12/37/00/619123700.db2.gz OLWUBVYGBIMACO-WTTBNOFXSA-N 2 0 276.424 2.598 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925805941 619126277 /nfs/dbraw/zinc/12/62/77/619126277.db2.gz AAMOVJHMUZAWHH-HNNXBMFYSA-N 2 0 256.434 2.561 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccnn1C ZINC000925806710 619126920 /nfs/dbraw/zinc/12/69/20/619126920.db2.gz GRXYTFQWFATWNW-AWEZNQCLSA-N 2 0 278.444 2.631 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808741 619127725 /nfs/dbraw/zinc/12/77/25/619127725.db2.gz DYZCHHIETYLIQC-JKSUJKDBSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2sccc21 ZINC000925816082 619134837 /nfs/dbraw/zinc/13/48/37/619134837.db2.gz DNCPDOHGKCDGCT-DOMZBBRYSA-N 2 0 293.480 2.699 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816130 619135410 /nfs/dbraw/zinc/13/54/10/619135410.db2.gz VQFVIPFEWIEDCT-YOEHRIQHSA-N 2 0 287.451 2.556 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cnn(C)c1 ZINC000925819758 619139723 /nfs/dbraw/zinc/13/97/23/619139723.db2.gz YWBOMQLWMPSSCE-CQSZACIVSA-N 2 0 278.444 2.631 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000925824987 619146560 /nfs/dbraw/zinc/14/65/60/619146560.db2.gz XRIQKXFUHWIDIT-ZLZJIPBDSA-N 3 0 293.499 2.891 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1cc(F)ccc1OC ZINC000925826807 619156137 /nfs/dbraw/zinc/15/61/37/619156137.db2.gz JQJITCQABJRXSN-ZFWWWQNUSA-N 2 0 298.402 2.629 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000925827592 619157862 /nfs/dbraw/zinc/15/78/62/619157862.db2.gz AIIVDZXDQWOWAH-CYDGBPFRSA-N 2 0 294.361 2.607 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000925834526 619165727 /nfs/dbraw/zinc/16/57/27/619165727.db2.gz ISOSHBJAJYXYKT-UONOGXRCSA-N 2 0 264.438 2.811 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925836028 619167231 /nfs/dbraw/zinc/16/72/31/619167231.db2.gz ZKOBOEIOSATLPK-FVCCEPFGSA-N 2 0 294.361 2.736 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094749109 619167659 /nfs/dbraw/zinc/16/76/59/619167659.db2.gz DZIQSHPPMIDAMN-XHSDSOJGSA-N 2 0 297.487 2.521 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000925838441 619171195 /nfs/dbraw/zinc/17/11/95/619171195.db2.gz MAECPUNDJRSBSB-KBUPBQIOSA-N 2 0 280.362 2.895 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841186 619174574 /nfs/dbraw/zinc/17/45/74/619174574.db2.gz HMIHNLOPQKZQPG-BPLDGKMQSA-N 2 0 264.438 2.801 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000925841058 619174742 /nfs/dbraw/zinc/17/47/42/619174742.db2.gz YSATZTSFMDNLFV-HUUCEWRRSA-N 2 0 287.407 2.786 20 0 CFADRP C(CC[NH2+][C@H]1CCCC12CCCC2)CCN1CC[NH2+]CC1 ZINC000925847460 619180539 /nfs/dbraw/zinc/18/05/39/619180539.db2.gz SGRMUGYHMHGGKA-KRWDZBQOSA-N 2 0 293.499 2.764 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000925860678 619187150 /nfs/dbraw/zinc/18/71/50/619187150.db2.gz JLZLEWBWUBKJPY-BYNSBNAKSA-N 2 0 280.481 2.782 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925862382 619188484 /nfs/dbraw/zinc/18/84/84/619188484.db2.gz ZWPJTRVSAPLPHT-NWDGAFQWSA-N 2 0 254.443 2.535 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875461 619196044 /nfs/dbraw/zinc/19/60/44/619196044.db2.gz HROPDIYXNQMYQS-BJJXKVORSA-N 2 0 264.388 2.864 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925876388 619196979 /nfs/dbraw/zinc/19/69/79/619196979.db2.gz WKDFOFDMXSYHBY-CTASWTNQSA-N 2 0 276.424 2.904 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000925882138 619202331 /nfs/dbraw/zinc/20/23/31/619202331.db2.gz XNWRCIKZMBKMKU-YXJHDRRASA-N 2 0 288.435 2.668 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCC(F)(F)CC1 ZINC000925883010 619203027 /nfs/dbraw/zinc/20/30/27/619203027.db2.gz RCNNESFFVDSRNL-LOWVWBTDSA-N 2 0 260.372 2.917 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)CO)ccc1OC ZINC000182566143 625328706 /nfs/dbraw/zinc/32/87/06/625328706.db2.gz BHIDRRCOSIMROA-KGLIPLIRSA-N 2 0 294.439 2.568 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000893910774 619242453 /nfs/dbraw/zinc/24/24/53/619242453.db2.gz KFYPUCROXSLHRY-HNNXBMFYSA-N 2 0 278.371 2.581 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(F)(F)F)C[C@@H]1C ZINC000878163151 619255614 /nfs/dbraw/zinc/25/56/14/619255614.db2.gz OAZIWQYBJDOMCP-RYUDHWBXSA-N 2 0 282.350 2.718 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924961408 619304586 /nfs/dbraw/zinc/30/45/86/619304586.db2.gz VQGWXIIVHQJCNT-KBAYOESNSA-N 2 0 294.483 2.902 20 0 CFADRP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C ZINC000261918451 619314423 /nfs/dbraw/zinc/31/44/23/619314423.db2.gz KDFFXAKCGYTXMB-XYPWUTKMSA-N 2 0 274.408 2.718 20 0 CFADRP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000261918559 619314516 /nfs/dbraw/zinc/31/45/16/619314516.db2.gz ZWYOSDRKFUPBMN-CJNGLKHVSA-N 2 0 262.397 2.775 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCSCc2ccccc2)C1 ZINC000261949806 619346059 /nfs/dbraw/zinc/34/60/59/619346059.db2.gz NVPIQTLCBPOYMT-OAHLLOKOSA-N 2 0 264.438 2.591 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261961783 619354501 /nfs/dbraw/zinc/35/45/01/619354501.db2.gz HJYOMODOADASGC-UHFFFAOYSA-N 2 0 297.402 2.516 20 0 CFADRP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925045859 619356005 /nfs/dbraw/zinc/35/60/05/619356005.db2.gz YUHMIAPBUVYWBU-YOEHRIQHSA-N 2 0 278.440 2.806 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925046379 619356457 /nfs/dbraw/zinc/35/64/57/619356457.db2.gz PTCQNGBFNKAFPZ-BBRMVZONSA-N 2 0 278.440 2.806 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccnnc1 ZINC000925048635 619357889 /nfs/dbraw/zinc/35/78/89/619357889.db2.gz JGFYMENMQHOMBZ-HNNXBMFYSA-N 2 0 276.428 2.783 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000894455911 619390907 /nfs/dbraw/zinc/39/09/07/619390907.db2.gz NOVUYZRCQKCLAF-AWEZNQCLSA-N 2 0 282.378 2.827 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(O)c(F)c3)C2)CC1 ZINC000894476188 619395752 /nfs/dbraw/zinc/39/57/52/619395752.db2.gz DGNPBGWGVMFAQL-HNNXBMFYSA-N 2 0 292.398 2.695 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC000894514901 619406750 /nfs/dbraw/zinc/40/67/50/619406750.db2.gz DQWHMFYHXDNENL-UHFFFAOYSA-N 2 0 260.372 2.838 20 0 CFADRP CCCSC[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000894544695 619414639 /nfs/dbraw/zinc/41/46/39/619414639.db2.gz JTJKHZOKKOYXGM-CYBMUJFWSA-N 2 0 290.542 2.935 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC000894643262 619435038 /nfs/dbraw/zinc/43/50/38/619435038.db2.gz WAJWPSQRPMTBBN-RDJZCZTQSA-N 2 0 282.472 2.638 20 0 CFADRP Cn1ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1C1CC1 ZINC000894729935 619451979 /nfs/dbraw/zinc/45/19/79/619451979.db2.gz BOUNIBZGBCXXRL-UHFFFAOYSA-N 2 0 278.444 2.508 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)Cc1ocnc1C ZINC000894779915 619465469 /nfs/dbraw/zinc/46/54/69/619465469.db2.gz RVRRJPSEUUOPBC-UHFFFAOYSA-N 2 0 276.384 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(Cl)cn1 ZINC000894782819 619465783 /nfs/dbraw/zinc/46/57/83/619465783.db2.gz NFZKMRTZUVTHMA-BXUZGUMPSA-N 2 0 267.804 2.507 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(Cl)cn2)C1 ZINC000894783797 619466747 /nfs/dbraw/zinc/46/67/47/619466747.db2.gz XUPTUNZRQOPXON-WFASDCNBSA-N 2 0 279.815 2.651 20 0 CFADRP CCOc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000894806611 619471191 /nfs/dbraw/zinc/47/11/91/619471191.db2.gz GUTQAZAEYYVHNF-UHFFFAOYSA-N 2 0 266.385 2.642 20 0 CFADRP Cc1cc(NCC2CC[NH+](C)CC2)ccc1C[NH+](C)C ZINC000894865902 619489870 /nfs/dbraw/zinc/48/98/70/619489870.db2.gz POQKVAFSWLRFOQ-UHFFFAOYSA-N 2 0 275.440 2.810 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000894907893 619510823 /nfs/dbraw/zinc/51/08/23/619510823.db2.gz WPPFICAIBYHXNY-UHFFFAOYSA-N 2 0 275.440 2.811 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000895009105 619525134 /nfs/dbraw/zinc/52/51/34/619525134.db2.gz QSDQINSUEOLPOR-HOTGVXAUSA-N 2 0 262.372 2.555 20 0 CFADRP CC(C)n1cc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cn1 ZINC000895555701 619554512 /nfs/dbraw/zinc/55/45/12/619554512.db2.gz AQOFVLTZHSMFAJ-OAHLLOKOSA-N 2 0 299.422 2.570 20 0 CFADRP CSC1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCC1 ZINC000895556679 619554771 /nfs/dbraw/zinc/55/47/71/619554771.db2.gz LUDAWRREJODYQR-CQSZACIVSA-N 2 0 291.464 2.878 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@]2(C)CCCS2)CCN1c1cc[nH+]cc1 ZINC000895556602 619554898 /nfs/dbraw/zinc/55/48/98/619554898.db2.gz LISHKKPGZMEGQE-GDBMZVCRSA-N 2 0 291.464 2.878 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000895587039 619561537 /nfs/dbraw/zinc/56/15/37/619561537.db2.gz GHFKKOAAVUSBHZ-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP COC1(C[NH+]2CCC(C)([NH+]3CCC3)CC2)CCCCC1 ZINC000895670995 619582719 /nfs/dbraw/zinc/58/27/19/619582719.db2.gz KMDHATIYHFBAPC-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP CO[C@](C)(C[N@H+](C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000895683209 619585777 /nfs/dbraw/zinc/58/57/77/619585777.db2.gz JCWKINOPLKIVGO-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP COc1cc2c(N[C@H]3CC[N@H+](C)[C@H]3C)cc[nH+]c2cc1F ZINC000895736632 619597138 /nfs/dbraw/zinc/59/71/38/619597138.db2.gz ODEPFXXITDAMFY-GWCFXTLKSA-N 2 0 289.354 2.887 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000896036743 619657178 /nfs/dbraw/zinc/65/71/78/619657178.db2.gz VOFFJAPYQAMCCT-SFHVURJKSA-N 2 0 294.483 2.857 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000896388191 619727853 /nfs/dbraw/zinc/72/78/53/619727853.db2.gz RUCHMVILLLOARJ-AQFXKWCLSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000896528737 619754276 /nfs/dbraw/zinc/75/42/76/619754276.db2.gz SKPJLWMRCBQVSS-HNNXBMFYSA-N 2 0 293.480 2.739 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243027 619862188 /nfs/dbraw/zinc/86/21/88/619862188.db2.gz JNYLEUBGJWDODZ-HNNXBMFYSA-N 2 0 260.425 2.857 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000925140610 619938530 /nfs/dbraw/zinc/93/85/30/619938530.db2.gz JZQACMLQXGOYKA-WBVHZDCISA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@H](C)C1 ZINC000925167394 620001226 /nfs/dbraw/zinc/00/12/26/620001226.db2.gz CCGIFIGMNIHROS-VAQLIOGMSA-N 2 0 268.470 2.733 20 0 CFADRP CC(C)CC[NH+]1CCC(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000079382856 620006902 /nfs/dbraw/zinc/00/69/02/620006902.db2.gz WJRSMIRKWLDRAD-UHFFFAOYSA-N 2 0 294.487 2.591 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)C(C)(C)CO)[N@H+](C)Cc1ccccc1 ZINC000925209866 620024355 /nfs/dbraw/zinc/02/43/55/620024355.db2.gz UKTDRBZUJCZISL-HOTGVXAUSA-N 2 0 292.467 2.894 20 0 CFADRP COC1(OC)CC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925228825 620048295 /nfs/dbraw/zinc/04/82/95/620048295.db2.gz JVMXPPMHRSVSOF-UYSNPLJNSA-N 2 0 296.455 2.525 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000925241002 620062409 /nfs/dbraw/zinc/06/24/09/620062409.db2.gz NBEAFQVEWVGJHI-BLLLJJGKSA-N 2 0 298.402 2.539 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000925242184 620063420 /nfs/dbraw/zinc/06/34/20/620063420.db2.gz XIUQVTBCHJLJJZ-GJZGRUSLSA-N 2 0 270.461 2.758 20 0 CFADRP CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925243202 620064787 /nfs/dbraw/zinc/06/47/87/620064787.db2.gz FBCJWNUGAZPGLC-CABCVRRESA-N 2 0 278.440 2.807 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000179121528 620160947 /nfs/dbraw/zinc/16/09/47/620160947.db2.gz WFTORWQDXJQNKU-NSHDSACASA-N 2 0 267.804 2.727 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)CC[N@@H+]1C ZINC000897476424 620182304 /nfs/dbraw/zinc/18/23/04/620182304.db2.gz RWBBUGQRINZIFQ-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000925303623 620238953 /nfs/dbraw/zinc/23/89/53/620238953.db2.gz OZSPTAGAVOFNIJ-INIZCTEOSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308245 620241621 /nfs/dbraw/zinc/24/16/21/620241621.db2.gz PDSNJQZOKMSNFM-HOTGVXAUSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CCO)C2CCCC2)CC1 ZINC000897885387 620297732 /nfs/dbraw/zinc/29/77/32/620297732.db2.gz IMFBNTGQQAWPIX-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc[nH+]1 ZINC000897957996 620311547 /nfs/dbraw/zinc/31/15/47/620311547.db2.gz GEJQBOXNDIWACP-RRQGHBQHSA-N 2 0 271.408 2.829 20 0 CFADRP COC1(C[NH+]2CCC([NH2+]C3CCC3)CC2)CCCC1 ZINC000897980599 620317976 /nfs/dbraw/zinc/31/79/76/620317976.db2.gz DIMXFGOSDQMILH-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)C[C@@H](C[NH+](C)C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000898315856 620372208 /nfs/dbraw/zinc/37/22/08/620372208.db2.gz AIESKICMRBYFEQ-INIZCTEOSA-N 2 0 283.504 2.815 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C1CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000924634677 620426752 /nfs/dbraw/zinc/42/67/52/620426752.db2.gz ZXCQLWBMWSALKO-DLBZAZTESA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924681069 620439338 /nfs/dbraw/zinc/43/93/38/620439338.db2.gz LEGUNFPXXPZFRD-QZTJIDSGSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cn(C)cn1 ZINC000924681540 620439385 /nfs/dbraw/zinc/43/93/85/620439385.db2.gz NXGALFNSPCOKSJ-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP CSC1CC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000924683742 620440192 /nfs/dbraw/zinc/44/01/92/620440192.db2.gz BFSXZCPXDOKLTI-WLYUNCDWSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924689009 620441127 /nfs/dbraw/zinc/44/11/27/620441127.db2.gz WEDLBDURBIPWML-RBSFLKMASA-N 2 0 291.443 2.528 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnnc1 ZINC000924689379 620441302 /nfs/dbraw/zinc/44/13/02/620441302.db2.gz XAUSCHKFWAPYDH-LSDHHAIUSA-N 2 0 276.428 2.639 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCO1 ZINC000927037206 620444845 /nfs/dbraw/zinc/44/48/45/620444845.db2.gz LXRLQVVNECEPJL-YHNBSYBMSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000924712459 620450593 /nfs/dbraw/zinc/45/05/93/620450593.db2.gz BGLRRWWRNFXWMP-OAGGEKHMSA-N 2 0 270.461 2.638 20 0 CFADRP COC[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000927096807 620452423 /nfs/dbraw/zinc/45/24/23/620452423.db2.gz HOWYPBZORHNKSG-CQSZACIVSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000924717460 620452481 /nfs/dbraw/zinc/45/24/81/620452481.db2.gz VCVYUIWVJJMWBC-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000924721292 620453846 /nfs/dbraw/zinc/45/38/46/620453846.db2.gz MVWOJAVEZCQAAY-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCOc2cccc(F)c2)CC1 ZINC000898445280 620466158 /nfs/dbraw/zinc/46/61/58/620466158.db2.gz QORRFLQZZDRZOF-UHFFFAOYSA-N 2 0 280.387 2.669 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000927158142 620510371 /nfs/dbraw/zinc/51/03/71/620510371.db2.gz BAXIXZZNCWDPEY-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H](NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000899266319 620537946 /nfs/dbraw/zinc/53/79/46/620537946.db2.gz RJHOQWMHKLXBEP-ZIAGYGMSSA-N 2 0 280.460 2.553 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)c1 ZINC000899321979 620543212 /nfs/dbraw/zinc/54/32/12/620543212.db2.gz BWBRIKMHBWXSEC-GOSISDBHSA-N 2 0 296.414 2.720 20 0 CFADRP [NH3+]C[C@H](c1nc(C2([NH3+])CCCC2)no1)C1CCCCCC1 ZINC000900005303 620621738 /nfs/dbraw/zinc/62/17/38/620621738.db2.gz FLHHIIDTCAMQOM-ZDUSSCGKSA-N 2 0 292.427 2.810 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3[NH2+]CC[C@@H]4CCCC[C@H]34)n2)CCCC1 ZINC000900005434 620621796 /nfs/dbraw/zinc/62/17/96/620621796.db2.gz JDDYGXLEGJCTBV-RWMBFGLXSA-N 2 0 290.411 2.638 20 0 CFADRP [NH3+]C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)C1CCCCCC1 ZINC000900010538 620622290 /nfs/dbraw/zinc/62/22/90/620622290.db2.gz SNUHSBJNCLCJKC-STQMWFEESA-N 2 0 278.400 2.507 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000902078568 620969680 /nfs/dbraw/zinc/96/96/80/620969680.db2.gz OAYQKAFXXUNLKF-HNNXBMFYSA-N 2 0 275.440 2.940 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000902064581 620972914 /nfs/dbraw/zinc/97/29/14/620972914.db2.gz VQWJAJVPMAREAX-AWEZNQCLSA-N 2 0 273.424 2.611 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000902067003 620973258 /nfs/dbraw/zinc/97/32/58/620973258.db2.gz HLHAJVKUHVUKGU-HOTGVXAUSA-N 2 0 292.471 2.751 20 0 CFADRP COCCC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902320932 621023914 /nfs/dbraw/zinc/02/39/14/621023914.db2.gz SHRCOZSRVLYSPM-HNNXBMFYSA-N 2 0 286.366 2.761 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2C[C@H]2Cc2ccccc2)C1 ZINC000902347005 621034298 /nfs/dbraw/zinc/03/42/98/621034298.db2.gz JRNWDFWSTPIBPF-IKGGRYGDSA-N 2 0 272.436 2.985 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902348293 621035110 /nfs/dbraw/zinc/03/51/10/621035110.db2.gz YQEUBZLNBDHYAK-ZACQAIPSSA-N 2 0 295.515 2.722 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1ccc(F)cc1 ZINC000902334063 621040660 /nfs/dbraw/zinc/04/06/60/621040660.db2.gz PQYGGTKMDFFXCK-DZGCQCFKSA-N 2 0 294.414 2.961 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902335657 621040836 /nfs/dbraw/zinc/04/08/36/621040836.db2.gz JNHAUPSOVOPYDG-UKRRQHHQSA-N 2 0 261.413 2.553 20 0 CFADRP C[C@@](O)(CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902376055 621046428 /nfs/dbraw/zinc/04/64/28/621046428.db2.gz HPEKEQWBFIDIAF-FUHWJXTLSA-N 2 0 290.451 2.652 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902377508 621047077 /nfs/dbraw/zinc/04/70/77/621047077.db2.gz RBTINVPDCABJDL-ABAIWWIYSA-N 2 0 286.366 2.759 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000902352890 621048939 /nfs/dbraw/zinc/04/89/39/621048939.db2.gz UHFWHWFIDWFLRR-AWEZNQCLSA-N 2 0 280.387 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000902358577 621051699 /nfs/dbraw/zinc/05/16/99/621051699.db2.gz DECOPOWLICAHMA-JTQLQIEISA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359832 621052257 /nfs/dbraw/zinc/05/22/57/621052257.db2.gz HEMAFXBWIPNDBL-HIFRSBDPSA-N 2 0 276.424 2.691 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](O)c1ccc(F)cc1 ZINC000902361155 621052901 /nfs/dbraw/zinc/05/29/01/621052901.db2.gz NUTUZSUOBNERQJ-VBNZEHGJSA-N 2 0 294.414 2.615 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902361855 621052998 /nfs/dbraw/zinc/05/29/98/621052998.db2.gz MQEYYOBSJRXKAN-HNNXBMFYSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902362455 621053283 /nfs/dbraw/zinc/05/32/83/621053283.db2.gz WYIGENISISFCMW-MRXNPFEDSA-N 2 0 283.504 2.863 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1 ZINC000902363377 621053941 /nfs/dbraw/zinc/05/39/41/621053941.db2.gz LVCUMYWKITYXTF-HUUCEWRRSA-N 2 0 276.424 2.822 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364075 621054414 /nfs/dbraw/zinc/05/44/14/621054414.db2.gz YSZQZXNOAGCONW-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2COc3ccccc32)C1 ZINC000902384582 621059701 /nfs/dbraw/zinc/05/97/01/621059701.db2.gz NKMFYOFSBVBLAA-UONOGXRCSA-N 2 0 274.408 2.530 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000902385851 621060466 /nfs/dbraw/zinc/06/04/66/621060466.db2.gz BODXKIOHOLBTDF-OAHLLOKOSA-N 2 0 261.413 2.566 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902387876 621061206 /nfs/dbraw/zinc/06/12/06/621061206.db2.gz MLRQCMRNAJAIMK-GFCCVEGCSA-N 2 0 252.427 2.924 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902388381 621061529 /nfs/dbraw/zinc/06/15/29/621061529.db2.gz PTIJYXUKBNARHJ-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)C1 ZINC000902394927 621064248 /nfs/dbraw/zinc/06/42/48/621064248.db2.gz YIKHTCLPBQWKJG-OAHLLOKOSA-N 2 0 287.451 2.913 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)C1 ZINC000902398928 621066559 /nfs/dbraw/zinc/06/65/59/621066559.db2.gz MBQGIIXMYSFSIP-RCBQFDQVSA-N 2 0 274.408 2.533 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000902400343 621066840 /nfs/dbraw/zinc/06/68/40/621066840.db2.gz QLSXUFAIRIRTNS-QPSCCSFWSA-N 2 0 250.430 2.790 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902400105 621066865 /nfs/dbraw/zinc/06/68/65/621066865.db2.gz YBVWJRISINOANT-QGZVFWFLSA-N 3 0 295.515 2.865 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000902402366 621067858 /nfs/dbraw/zinc/06/78/58/621067858.db2.gz CDHSYUJSNTWBGY-HOCLYGCPSA-N 2 0 273.424 2.901 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902402284 621068273 /nfs/dbraw/zinc/06/82/73/621068273.db2.gz KBSDJONFUTWKEW-UONOGXRCSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)CO[C@@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902402280 621068307 /nfs/dbraw/zinc/06/83/07/621068307.db2.gz KBSDJONFUTWKEW-KBPBESRZSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000902428530 621075686 /nfs/dbraw/zinc/07/56/86/621075686.db2.gz DYNAKNHXCIFZDZ-WDEREUQCSA-N 2 0 297.240 2.750 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000902428983 621076207 /nfs/dbraw/zinc/07/62/07/621076207.db2.gz IWJCUYRYULHNSQ-UWVGGRQHSA-N 2 0 256.777 2.564 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C1CC1 ZINC000902430198 621076410 /nfs/dbraw/zinc/07/64/10/621076410.db2.gz HTKGEMYAHQLALO-CJNGLKHVSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435867 621079457 /nfs/dbraw/zinc/07/94/57/621079457.db2.gz WICHDPMHMFKAJS-MOIQIXESSA-N 2 0 287.451 2.512 20 0 CFADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000902435798 621079522 /nfs/dbraw/zinc/07/95/22/621079522.db2.gz UZPKGZNCBYIYOG-NTZUZEMLSA-N 2 0 299.462 2.512 20 0 CFADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000902441565 621081063 /nfs/dbraw/zinc/08/10/63/621081063.db2.gz FBBVLJDANWNLDY-BHIYHBOVSA-N 2 0 278.399 2.758 20 0 CFADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2([NH3+])CC2)cc1F ZINC000902413849 621084273 /nfs/dbraw/zinc/08/42/73/621084273.db2.gz OUSYDUXSUMDQJB-UKRRQHHQSA-N 2 0 292.398 2.941 20 0 CFADRP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2c(c1)CCC2 ZINC000902473172 621085877 /nfs/dbraw/zinc/08/58/77/621085877.db2.gz TUMPFBFOCPKFIH-KLWIRTJPSA-N 2 0 256.393 2.719 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)C1 ZINC000902474238 621086147 /nfs/dbraw/zinc/08/61/47/621086147.db2.gz DHKHOLFCJKWPBJ-SRVCANOKSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cncs1 ZINC000902458131 621094897 /nfs/dbraw/zinc/09/48/97/621094897.db2.gz UBCUDODCZMVABC-DCAQKATOSA-N 2 0 253.415 2.700 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cncs1 ZINC000902458132 621094992 /nfs/dbraw/zinc/09/49/92/621094992.db2.gz UBCUDODCZMVABC-GARJFASQSA-N 2 0 253.415 2.700 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489939 621102201 /nfs/dbraw/zinc/10/22/01/621102201.db2.gz QIXKVQQCLSOQCB-NOLJZWGESA-N 2 0 284.407 2.569 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490777 621102218 /nfs/dbraw/zinc/10/22/18/621102218.db2.gz TZBRYQMPPKCFAO-FVQBIDKESA-N 2 0 264.388 2.720 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000902490920 621102315 /nfs/dbraw/zinc/10/23/15/621102315.db2.gz YJPFIEDHZFIYPB-NHCYSSNCSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902483513 621110317 /nfs/dbraw/zinc/11/03/17/621110317.db2.gz RCFBEBVMLDZUME-GHMZBOCLSA-N 2 0 252.324 2.839 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000902484110 621110464 /nfs/dbraw/zinc/11/04/64/621110464.db2.gz CUZVKGOVFVPDJF-PJODQICGSA-N 2 0 278.827 2.988 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000902486005 621111559 /nfs/dbraw/zinc/11/15/59/621111559.db2.gz DXBADXCZEOWMPW-QAETUUGQSA-N 2 0 258.409 2.725 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487607 621112549 /nfs/dbraw/zinc/11/25/49/621112549.db2.gz KYKWKWRKRYZRGI-ULQDDVLXSA-N 2 0 260.425 2.971 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489386 621113022 /nfs/dbraw/zinc/11/30/22/621113022.db2.gz POSGPUNJAMSANS-XFMPKHEZSA-N 2 0 262.397 2.514 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518379 621115831 /nfs/dbraw/zinc/11/58/31/621115831.db2.gz PYTQBAYTZPNDAL-CZUORRHYSA-N 2 0 280.387 2.572 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902719951 621156375 /nfs/dbraw/zinc/15/63/75/621156375.db2.gz AHOOQERKNKZDRB-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP C(CN1CCCC1)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902725903 621159025 /nfs/dbraw/zinc/15/90/25/621159025.db2.gz HWRWVWAWVVPEGP-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC000902752048 621164713 /nfs/dbraw/zinc/16/47/13/621164713.db2.gz FXMAXWZIIPKVAC-NVXWUHKLSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902779725 621172145 /nfs/dbraw/zinc/17/21/45/621172145.db2.gz ZEHDHCLKQCFBID-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP COC(=O)c1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)c(C)c1 ZINC000902780436 621172325 /nfs/dbraw/zinc/17/23/25/621172325.db2.gz JAAOAIMOHXEENO-AWEZNQCLSA-N 2 0 292.423 2.774 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902793520 621178320 /nfs/dbraw/zinc/17/83/20/621178320.db2.gz JRUFWLMLYNXAJP-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902795237 621178748 /nfs/dbraw/zinc/17/87/48/621178748.db2.gz ASGYECHBOFHPMP-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]CCCCn2ccnc2C)C1 ZINC000902819068 621181148 /nfs/dbraw/zinc/18/11/48/621181148.db2.gz QGQQFKBVWYMATP-CVEARBPZSA-N 2 0 279.428 2.909 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902839662 621188784 /nfs/dbraw/zinc/18/87/84/621188784.db2.gz UJPVVXRTHNMBNK-OFQRWUPVSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000902965910 621210788 /nfs/dbraw/zinc/21/07/88/621210788.db2.gz ACYDPHPCENTICY-MJBXVCDLSA-N 2 0 273.380 2.946 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCCC1 ZINC000902951620 621212868 /nfs/dbraw/zinc/21/28/68/621212868.db2.gz ONRWBAIGZXJIBU-SMLCLMEVSA-N 2 0 292.467 2.512 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000903018112 621222371 /nfs/dbraw/zinc/22/23/71/621222371.db2.gz XKIBRJWWUIYALD-HOCLYGCPSA-N 2 0 273.380 2.772 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C[NH+](C)C ZINC000902999154 621224375 /nfs/dbraw/zinc/22/43/75/621224375.db2.gz KYONTORUCPUDOM-DJIMGWMZSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903057311 621235823 /nfs/dbraw/zinc/23/58/23/621235823.db2.gz BKKVFJYMMKUWJE-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903057086 621235891 /nfs/dbraw/zinc/23/58/91/621235891.db2.gz BCXKHUXCHUBMRO-ZXFUBFMLSA-N 2 0 286.419 2.813 20 0 CFADRP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCCC1 ZINC000903064600 621238610 /nfs/dbraw/zinc/23/86/10/621238610.db2.gz DJHAKWVPVGSDMH-PDOIAVGCSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000903067513 621239436 /nfs/dbraw/zinc/23/94/36/621239436.db2.gz UAWHZKYUIWCKGT-HPFXQQBRSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903091024 621249410 /nfs/dbraw/zinc/24/94/10/621249410.db2.gz LOJQLUOGMSQVLG-HZPDHXFCSA-N 2 0 280.456 2.798 20 0 CFADRP CCOCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903072877 621250938 /nfs/dbraw/zinc/25/09/38/621250938.db2.gz LQMDICYMHCNVEO-VHRNVKJDSA-N 2 0 266.429 2.551 20 0 CFADRP OCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903105175 621255318 /nfs/dbraw/zinc/25/53/18/621255318.db2.gz RGCVGQRADOWAMG-ZXFUBFMLSA-N 2 0 292.467 2.677 20 0 CFADRP c1ccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903107570 621255965 /nfs/dbraw/zinc/25/59/65/621255965.db2.gz YDLAENMVGYZJSY-ZNXRZULTSA-N 2 0 285.435 2.846 20 0 CFADRP C[C@@H](C[C@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110209 621256427 /nfs/dbraw/zinc/25/64/27/621256427.db2.gz AWNINKPWRHOWCO-AEIJQKHESA-N 2 0 278.440 2.549 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C)C1 ZINC000903097628 621259697 /nfs/dbraw/zinc/25/96/97/621259697.db2.gz HETOZXDAUFCGSV-FLXSYLCISA-N 2 0 294.483 2.902 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000903124633 621261632 /nfs/dbraw/zinc/26/16/32/621261632.db2.gz HUFCBGLUIUHDIR-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC12CCCC2)C[NH+]1CCCC1 ZINC000903158897 621270441 /nfs/dbraw/zinc/27/04/41/621270441.db2.gz CORMGVKZGBNEPC-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP FCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOCC1 ZINC000903179250 621276469 /nfs/dbraw/zinc/27/64/69/621276469.db2.gz OOXCTSDEBCRDKF-VHRNVKJDSA-N 2 0 296.430 2.500 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1[NH3+] ZINC000251820133 621276482 /nfs/dbraw/zinc/27/64/82/621276482.db2.gz PEHSSOXSFGNEHK-CZUORRHYSA-N 2 0 269.392 2.794 20 0 CFADRP C[N@H+](CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)C1CC1 ZINC000903182209 621276872 /nfs/dbraw/zinc/27/68/72/621276872.db2.gz AJTUNMCVLHESMF-DODVFSASSA-N 3 0 291.483 2.608 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903185191 621278388 /nfs/dbraw/zinc/27/83/88/621278388.db2.gz IJAOYLCTWQCQRT-RHSMWYFYSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000903196530 621281752 /nfs/dbraw/zinc/28/17/52/621281752.db2.gz QFWUPDQNIGNGRJ-GTDBDLECSA-N 2 0 252.446 2.987 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903189658 621285908 /nfs/dbraw/zinc/28/59/08/621285908.db2.gz FSHTZUYBOMBHDK-CJHMKJBKSA-N 3 0 291.483 2.607 20 0 CFADRP COC1([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903190752 621286603 /nfs/dbraw/zinc/28/66/03/621286603.db2.gz ZDUTZNHXXYXJEZ-WYQXTGKHSA-N 2 0 278.440 2.691 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@H]3C[C@@H]1[C@H]1C[C@H]13)C2 ZINC000903214511 621290064 /nfs/dbraw/zinc/29/00/64/621290064.db2.gz VSDHYHNPTNWFDV-JDRBVUTASA-N 2 0 272.436 2.778 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903222280 621293180 /nfs/dbraw/zinc/29/31/80/621293180.db2.gz ZQLPSBUSPRQCRB-LHCMDFTLSA-N 2 0 292.467 2.939 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)[C@@H](C)C1 ZINC000903320060 621321647 /nfs/dbraw/zinc/32/16/47/621321647.db2.gz YWBDBPOQRNUUHD-IECFSIQFSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000163222541 621328238 /nfs/dbraw/zinc/32/82/38/621328238.db2.gz CLUPRBCINSLEAV-OAHLLOKOSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382543 621356078 /nfs/dbraw/zinc/35/60/78/621356078.db2.gz GFZXCYIXMZUZHE-KBMXLJTQSA-N 2 0 261.413 2.853 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903426338 621370527 /nfs/dbraw/zinc/37/05/27/621370527.db2.gz HPFNUUOLEKQAKP-KMFMINBZSA-N 2 0 274.408 2.688 20 0 CFADRP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903429271 621371050 /nfs/dbraw/zinc/37/10/50/621371050.db2.gz CFTWWVDSBHKGEF-HYVNUMGLSA-N 2 0 258.409 2.987 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903430611 621372113 /nfs/dbraw/zinc/37/21/13/621372113.db2.gz XRZWVHGHNHMVCM-NFAWXSAZSA-N 2 0 262.397 2.815 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000903433264 621372810 /nfs/dbraw/zinc/37/28/10/621372810.db2.gz XTGZIOFMLHNAGM-UAGQMJEPSA-N 2 0 276.399 2.960 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000903432688 621372852 /nfs/dbraw/zinc/37/28/52/621372852.db2.gz KRYLTKHJNSMLQX-UKPHBRMFSA-N 2 0 276.399 2.688 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432597 621372954 /nfs/dbraw/zinc/37/29/54/621372954.db2.gz GAAFOWILWPYXTP-HYVNUMGLSA-N 2 0 288.435 2.558 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903435436 621373514 /nfs/dbraw/zinc/37/35/14/621373514.db2.gz UCPNVBSCQZVVAH-CJNGLKHVSA-N 2 0 274.408 2.571 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)CO1 ZINC000903439509 621375720 /nfs/dbraw/zinc/37/57/20/621375720.db2.gz JDXANDDCSBNEHB-FSDCSDTHSA-N 2 0 274.408 2.576 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903439385 621375741 /nfs/dbraw/zinc/37/57/41/621375741.db2.gz IGSNZNZFHVWDPF-ILXRZTDVSA-N 2 0 274.408 2.612 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000903439691 621376534 /nfs/dbraw/zinc/37/65/34/621376534.db2.gz HTFMTWHCPKTUFL-QLOLRVAOSA-N 2 0 292.467 2.798 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903441484 621377662 /nfs/dbraw/zinc/37/76/62/621377662.db2.gz UREMYLOUSAMRSS-ZOBORPQBSA-N 2 0 256.459 2.720 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c(F)ccc(C)c2F)CC1 ZINC000903423594 621379178 /nfs/dbraw/zinc/37/91/78/621379178.db2.gz XXBHZVZGBGTDNZ-UHFFFAOYSA-N 2 0 268.351 2.705 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000903458579 621379864 /nfs/dbraw/zinc/37/98/64/621379864.db2.gz DQFMIBAKBCZZJZ-ONIAQPFYSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903424677 621380088 /nfs/dbraw/zinc/38/00/88/621380088.db2.gz BCBCUDLDTUSJRI-SWLSCSKDSA-N 2 0 257.381 2.727 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC(CC[NH3+])CC2)c1F ZINC000903460818 621380999 /nfs/dbraw/zinc/38/09/99/621380999.db2.gz JFDADRKUNQGFFT-UHFFFAOYSA-N 2 0 268.351 2.834 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000903460995 621381030 /nfs/dbraw/zinc/38/10/30/621381030.db2.gz LHALUEHOJFSZNS-RDJZCZTQSA-N 2 0 269.392 2.729 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C[C@@H]21 ZINC000903453973 621387187 /nfs/dbraw/zinc/38/71/87/621387187.db2.gz QNRODPRVRLQOPJ-QMIVOQANSA-N 2 0 284.394 2.599 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1F ZINC000903452666 621387341 /nfs/dbraw/zinc/38/73/41/621387341.db2.gz PUNNLBYSUZBYEB-UHFFFAOYSA-N 2 0 280.362 2.849 20 0 CFADRP CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903455975 621388692 /nfs/dbraw/zinc/38/86/92/621388692.db2.gz APZHVISIOAALTR-PBHICJAKSA-N 2 0 288.435 2.961 20 0 CFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456658 621388816 /nfs/dbraw/zinc/38/88/16/621388816.db2.gz IMVJUPRAJVMRHV-XOKHGSTOSA-N 2 0 258.409 2.679 20 0 CFADRP FC1(F)CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903470792 621389170 /nfs/dbraw/zinc/38/91/70/621389170.db2.gz CYISYBKPFTZLEF-VXGBXAGGSA-N 2 0 258.356 2.686 20 0 CFADRP C[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1CC[NH3+] ZINC000903496876 621394949 /nfs/dbraw/zinc/39/49/49/621394949.db2.gz IKIOCQINDMXHRN-HUUCEWRRSA-N 2 0 268.445 2.643 20 0 CFADRP C[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000903716619 621424725 /nfs/dbraw/zinc/42/47/25/621424725.db2.gz AGELAHFGLHMJOI-TYUFSLCMSA-N 2 0 294.361 2.688 20 0 CFADRP C[N@H+](CCOc1ccccc1F)C[C@H]1CCCC[NH2+]C1 ZINC000903719360 621425470 /nfs/dbraw/zinc/42/54/70/621425470.db2.gz YRAJSJFWRXIGRB-AWEZNQCLSA-N 2 0 280.387 2.526 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903718088 621425538 /nfs/dbraw/zinc/42/55/38/621425538.db2.gz ZKBRKNYXCKNHCH-UHFFFAOYSA-N 2 0 264.388 2.978 20 0 CFADRP C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723560 621426864 /nfs/dbraw/zinc/42/68/64/621426864.db2.gz INKNVTNUCZUVFL-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cs1 ZINC000903723291 621426890 /nfs/dbraw/zinc/42/68/90/621426890.db2.gz HHBJSCAWWZQEEC-HRCADAONSA-N 2 0 292.448 2.654 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903722294 621426920 /nfs/dbraw/zinc/42/69/20/621426920.db2.gz KGOGUMVXOFUIIW-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724241 621427359 /nfs/dbraw/zinc/42/73/59/621427359.db2.gz MOVJDWTYTGQBNW-JZXOWHBKSA-N 2 0 288.435 2.756 20 0 CFADRP C[N@H+](CCC1CCCCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727686 621428801 /nfs/dbraw/zinc/42/88/01/621428801.db2.gz XBDLIMJULSSEJK-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903730403 621429658 /nfs/dbraw/zinc/42/96/58/621429658.db2.gz WCZPIXVJRXVEPB-BRWVUGGUSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732599 621430298 /nfs/dbraw/zinc/43/02/98/621430298.db2.gz GSLLEOGZWBGNNG-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713143 621430667 /nfs/dbraw/zinc/43/06/67/621430667.db2.gz GHHQYGIXTQUEIS-LLVKDONJSA-N 2 0 286.778 2.529 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903713666 621430721 /nfs/dbraw/zinc/43/07/21/621430721.db2.gz YZQKZJVNHCPGOJ-ZDUSSCGKSA-N 2 0 250.361 2.588 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000903749197 621432605 /nfs/dbraw/zinc/43/26/05/621432605.db2.gz IBYURBLEVCHQJI-DLBZAZTESA-N 2 0 287.451 2.910 20 0 CFADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccccc1CF ZINC000903753718 621432954 /nfs/dbraw/zinc/43/29/54/621432954.db2.gz XPCMVBUUIRVHGS-JMSVASOKSA-N 2 0 250.361 2.632 20 0 CFADRP c1cncc(CC2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903752971 621433376 /nfs/dbraw/zinc/43/33/76/621433376.db2.gz REGWGPYFYXXIJX-GOSISDBHSA-N 2 0 287.451 2.726 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753312 621433413 /nfs/dbraw/zinc/43/34/13/621433413.db2.gz TWNOEDXMYLIQJT-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903735232 621433590 /nfs/dbraw/zinc/43/35/90/621433590.db2.gz YQOXUAIWNFFZAE-GVDBMIGSSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734107 621433780 /nfs/dbraw/zinc/43/37/80/621433780.db2.gz VJPRVCFFMRAIMR-CBZIJGRNSA-N 2 0 294.483 2.950 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCC[NH2+]C2)C1(C)C ZINC000903735376 621434187 /nfs/dbraw/zinc/43/41/87/621434187.db2.gz ZEYULXADPYTAJG-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903744704 621435392 /nfs/dbraw/zinc/43/53/92/621435392.db2.gz XFNZEHXWOXUFIT-MNOVXSKESA-N 2 0 286.778 2.527 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903744900 621435638 /nfs/dbraw/zinc/43/56/38/621435638.db2.gz YRMXGMTXADULFC-UHFFFAOYSA-N 2 0 264.388 2.978 20 0 CFADRP CC[C@@H](NC[C@@H]1CCCC[NH2+]C1)c1c(C)noc1C ZINC000903760223 621436143 /nfs/dbraw/zinc/43/61/43/621436143.db2.gz WEIDPTDVUGFVKB-ZIAGYGMSSA-N 2 0 265.401 2.722 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760238 621436246 /nfs/dbraw/zinc/43/62/46/621436246.db2.gz WJCYKLTWWKKUQH-BZSNNMDCSA-N 2 0 288.435 2.742 20 0 CFADRP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766872 621437419 /nfs/dbraw/zinc/43/74/19/621437419.db2.gz CDRBFRVUZWMSKJ-RCCFBDPRSA-N 2 0 292.467 2.800 20 0 CFADRP Cc1cc(C)cc(C[N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903756186 621438820 /nfs/dbraw/zinc/43/88/20/621438820.db2.gz PNGHORAWCODIMZ-QZTJIDSGSA-N 2 0 288.435 2.504 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903790880 621439137 /nfs/dbraw/zinc/43/91/37/621439137.db2.gz FQTDWIBJNVNUED-UBSAEIQESA-N 2 0 286.410 2.975 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000903794082 621439649 /nfs/dbraw/zinc/43/96/49/621439649.db2.gz ZVBCJXZHTWKSCD-QGZVFWFLSA-N 2 0 288.435 2.548 20 0 CFADRP Cc1ncccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794075 621439654 /nfs/dbraw/zinc/43/96/54/621439654.db2.gz ZNVRPXYVAOXDBL-UHFFFAOYSA-N 2 0 295.430 2.883 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC2CC=CC2)CC1 ZINC000903793147 621439686 /nfs/dbraw/zinc/43/96/86/621439686.db2.gz OOMXDZIKFPPCIY-UHFFFAOYSA-N 2 0 270.420 2.945 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@@H]1CCCC[NH2+]C1 ZINC000903778505 621440064 /nfs/dbraw/zinc/44/00/64/621440064.db2.gz NRPMEXGNMUBXLQ-CJNGLKHVSA-N 2 0 273.424 2.675 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)nc1 ZINC000903811073 621446950 /nfs/dbraw/zinc/44/69/50/621446950.db2.gz JHNNGPGQMRZUJY-MRXNPFEDSA-N 2 0 273.424 2.874 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccccc2)CCC1 ZINC000903810589 621447005 /nfs/dbraw/zinc/44/70/05/621447005.db2.gz FKCFSDKQZCEMCD-IAGOWNOFSA-N 2 0 288.435 2.704 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811034 621447044 /nfs/dbraw/zinc/44/70/44/621447044.db2.gz JAEGFOSLXWQTRL-INIZCTEOSA-N 3 0 281.488 2.879 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCOCC(F)(F)F)CCC1 ZINC000903814038 621448164 /nfs/dbraw/zinc/44/81/64/621448164.db2.gz JFTIKVDSMOINBF-LBPRGKRZSA-N 2 0 294.361 2.549 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818400 621448193 /nfs/dbraw/zinc/44/81/93/621448193.db2.gz KDLJLBHUSOPDAE-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1noc(C[C@@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000903825347 621449946 /nfs/dbraw/zinc/44/99/46/621449946.db2.gz ZKTBFIDZXYHQRR-HNNXBMFYSA-N 2 0 294.443 2.542 20 0 CFADRP C(C[N@@H+]1CCCSC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000903825674 621450347 /nfs/dbraw/zinc/45/03/47/621450347.db2.gz CKJJDNYDICXROY-OAHLLOKOSA-N 2 0 268.470 2.594 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903831268 621451517 /nfs/dbraw/zinc/45/15/17/621451517.db2.gz GCJDJCNZHNYRAR-AWEZNQCLSA-N 2 0 281.469 2.917 20 0 CFADRP C[C@@H]1CSCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903831281 621451558 /nfs/dbraw/zinc/45/15/58/621451558.db2.gz GOMOOZULXIAQRX-FFHGMXDLSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCN1c1ccccc1 ZINC000903830914 621451717 /nfs/dbraw/zinc/45/17/17/621451717.db2.gz BCEMSSNDBHXTPY-SJORKVTESA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1c1ccccc1 ZINC000903831597 621452114 /nfs/dbraw/zinc/45/21/14/621452114.db2.gz KKGYSZCFKJEXIU-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000903832310 621452276 /nfs/dbraw/zinc/45/22/76/621452276.db2.gz PYVBNLVPFHBKAV-AVOUXACISA-N 2 0 254.393 2.589 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccc(F)c(Cl)c1)C2 ZINC000903839235 621453018 /nfs/dbraw/zinc/45/30/18/621453018.db2.gz JJFZOJORPSGZIU-TUAOUCFPSA-N 2 0 298.789 2.670 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000903842920 621454470 /nfs/dbraw/zinc/45/44/70/621454470.db2.gz XQZKDWTUSXSPKC-HJWJTTGWSA-N 2 0 270.420 2.918 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOC1CCCCCC1)C2 ZINC000903843591 621454544 /nfs/dbraw/zinc/45/45/44/621454544.db2.gz ODTJDZBZAGYGOF-KKUMJFAQSA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000903844685 621454992 /nfs/dbraw/zinc/45/49/92/621454992.db2.gz AXTBYBHHQIYMFB-GUSZCTEKSA-N 2 0 256.393 2.876 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOc1ccc(Cl)cc1)C2 ZINC000903847022 621455527 /nfs/dbraw/zinc/45/55/27/621455527.db2.gz HWBUWGYFFBEIQV-CFVMTHIKSA-N 2 0 294.826 2.921 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1Cl)C2 ZINC000903850260 621455933 /nfs/dbraw/zinc/45/59/33/621455933.db2.gz NGBSJYVSSQMMBL-DRZSPHRISA-N 2 0 250.773 2.652 20 0 CFADRP C[C@]12CSC[C@H]1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903872357 621462234 /nfs/dbraw/zinc/46/22/34/621462234.db2.gz XLKOOEOEPWUGMD-USNXZVQNSA-N 2 0 280.481 2.592 20 0 CFADRP CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CCCCC1 ZINC000903873423 621462374 /nfs/dbraw/zinc/46/23/74/621462374.db2.gz QTQOJRVENNWLEO-OAHLLOKOSA-N 2 0 292.471 2.501 20 0 CFADRP C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000903914575 621465102 /nfs/dbraw/zinc/46/51/02/621465102.db2.gz JLKIAYLARIMDBQ-AVOUXACISA-N 2 0 250.430 2.885 20 0 CFADRP c1cc([C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cs1 ZINC000903896734 621466476 /nfs/dbraw/zinc/46/64/76/621466476.db2.gz DWNZNNMAHLOVQA-YPAMNDHTSA-N 2 0 292.448 2.652 20 0 CFADRP COCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[C@@H](C)C1 ZINC000903912749 621472442 /nfs/dbraw/zinc/47/24/42/621472442.db2.gz IWPDPIUWCLDPNI-ZCRFILTFSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1ccccc1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903919503 621473041 /nfs/dbraw/zinc/47/30/41/621473041.db2.gz DBYVUPLSLRFLOJ-UHFFFAOYSA-N 2 0 266.388 2.931 20 0 CFADRP Fc1cccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903922948 621473559 /nfs/dbraw/zinc/47/35/59/621473559.db2.gz HZKLSCGWVQUJHM-UHFFFAOYSA-N 2 0 270.351 2.761 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000903939382 621474173 /nfs/dbraw/zinc/47/41/73/621474173.db2.gz YYWISYPXYUZOSB-UHFFFAOYSA-N 2 0 292.814 2.743 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(CO)CCCC1 ZINC000903928160 621475945 /nfs/dbraw/zinc/47/59/45/621475945.db2.gz WOZSNKSDHLKEAM-NPYXIHBLSA-N 2 0 294.483 2.684 20 0 CFADRP Fc1ccc2c(c1)OCC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903935870 621477861 /nfs/dbraw/zinc/47/78/61/621477861.db2.gz VFKMYEBWFFCLTR-SFESLNEESA-N 2 0 290.382 2.551 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903939356 621478202 /nfs/dbraw/zinc/47/82/02/621478202.db2.gz XOSOPAQBEONFEM-UHFFFAOYSA-N 2 0 250.386 2.691 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918207 621478526 /nfs/dbraw/zinc/47/85/26/621478526.db2.gz VBNCEBXKIODZNP-AWEZNQCLSA-N 3 0 295.430 2.642 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903918264 621478583 /nfs/dbraw/zinc/47/85/83/621478583.db2.gz VYDMTNINIVHNIS-OKSWLAIDSA-N 2 0 259.397 2.649 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)[C@@H]1C ZINC000903957726 621478920 /nfs/dbraw/zinc/47/89/20/621478920.db2.gz SYRCDITVKPCVOZ-NDBYEHHHSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000903959160 621479808 /nfs/dbraw/zinc/47/98/08/621479808.db2.gz BXRWGVAWGQKMIK-GOSISDBHSA-N 2 0 287.451 2.788 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903940772 621481480 /nfs/dbraw/zinc/48/14/80/621481480.db2.gz DLDAZJVZFRPHHI-UHFFFAOYSA-N 2 0 250.386 2.691 20 0 CFADRP CCC1([NH3+])CCN([C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000903948607 621485526 /nfs/dbraw/zinc/48/55/26/621485526.db2.gz SFJWROBWCRVJGH-LSDHHAIUSA-N 2 0 267.461 2.501 20 0 CFADRP CCC1([NH3+])CCN([C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000903948604 621485687 /nfs/dbraw/zinc/48/56/87/621485687.db2.gz SFJWROBWCRVJGH-CABCVRRESA-N 2 0 267.461 2.501 20 0 CFADRP CCC1([NH3+])CCN([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000903948792 621486397 /nfs/dbraw/zinc/48/63/97/621486397.db2.gz UQTBCBTWNQVAOS-IRXDYDNUSA-N 2 0 287.451 2.683 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903949520 621486546 /nfs/dbraw/zinc/48/65/46/621486546.db2.gz BMHJLVRAWXUOAA-RHSMWYFYSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955722 621490028 /nfs/dbraw/zinc/49/00/28/621490028.db2.gz ASJLLEVAQIPZCF-WCQYABFASA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955721 621490089 /nfs/dbraw/zinc/49/00/89/621490089.db2.gz ASJLLEVAQIPZCF-DGCLKSJQSA-N 2 0 260.372 2.790 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955715 621490437 /nfs/dbraw/zinc/49/04/37/621490437.db2.gz AQKKUVHSHISNEM-AVGNSLFASA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)C[C@H]1CC[NH3+] ZINC000903977189 621493621 /nfs/dbraw/zinc/49/36/21/621493621.db2.gz LEYHXSXDIXNBQH-SDEBIZQBSA-N 2 0 280.362 2.895 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1F ZINC000903978157 621494024 /nfs/dbraw/zinc/49/40/24/621494024.db2.gz HIFNYPVTVCHBJY-TZMCWYRMSA-N 2 0 280.387 2.641 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903979062 621494031 /nfs/dbraw/zinc/49/40/31/621494031.db2.gz ULOJWZKGKFLGGO-HLLBOEOZSA-N 2 0 290.451 2.852 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc2cccnc12 ZINC000903977782 621494084 /nfs/dbraw/zinc/49/40/84/621494084.db2.gz ZJLDNBREICFTFQ-RHSMWYFYSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978692 621494161 /nfs/dbraw/zinc/49/41/61/621494161.db2.gz KQJUQTCILBOKKU-IIAWOOMASA-N 2 0 278.415 2.982 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967677 621496243 /nfs/dbraw/zinc/49/62/43/621496243.db2.gz KKGHOUPFOJERRK-HYVNUMGLSA-N 2 0 260.425 2.843 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC000903987635 621499621 /nfs/dbraw/zinc/49/96/21/621499621.db2.gz IBVVPDKHRCWKEF-ZDUSSCGKSA-N 2 0 281.831 2.813 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000903988478 621500328 /nfs/dbraw/zinc/50/03/28/621500328.db2.gz SQPYDCSJIQISNB-QLFBSQMISA-N 2 0 293.480 2.786 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904305828 621569593 /nfs/dbraw/zinc/56/95/93/621569593.db2.gz UOYOZJODNYJKTM-INIZCTEOSA-N 2 0 280.387 2.526 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC000904309314 621570070 /nfs/dbraw/zinc/57/00/70/621570070.db2.gz HGPORENDPMAHAL-LESCRADOSA-N 2 0 281.403 2.630 20 0 CFADRP C[C@]1(CN2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC000904307090 621570440 /nfs/dbraw/zinc/57/04/40/621570440.db2.gz KTFPBJNQEIXUQC-SFHVURJKSA-N 2 0 293.499 2.574 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)C1 ZINC000904314192 621571667 /nfs/dbraw/zinc/57/16/67/621571667.db2.gz SUZVJRZNZKQQNL-HYVNUMGLSA-N 2 0 292.398 2.544 20 0 CFADRP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCc2ccccc2C1 ZINC000904313647 621571845 /nfs/dbraw/zinc/57/18/45/621571845.db2.gz XNHFLUVBHASSSF-FHLIZLRMSA-N 2 0 272.436 2.993 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904322393 621574227 /nfs/dbraw/zinc/57/42/27/621574227.db2.gz BFFHTYCQWDKSGC-CRAIPNDOSA-N 2 0 288.435 2.874 20 0 CFADRP CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904324474 621575639 /nfs/dbraw/zinc/57/56/39/621575639.db2.gz HLGGHNYCASFYNS-MSOLQXFVSA-N 2 0 290.451 2.649 20 0 CFADRP Cc1ccc(C(C)(C)C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904325417 621576125 /nfs/dbraw/zinc/57/61/25/621576125.db2.gz YPEFOTHXCOVDPZ-FZNQNYSPSA-N 2 0 260.425 2.942 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC000904328208 621576401 /nfs/dbraw/zinc/57/64/01/621576401.db2.gz BIMPMTDJWUQXJR-GSJFWJNXSA-N 2 0 250.773 2.656 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904334582 621577494 /nfs/dbraw/zinc/57/74/94/621577494.db2.gz ZVOKUHRUGLVOSA-CQSZACIVSA-N 2 0 272.314 2.934 20 0 CFADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343309 621578821 /nfs/dbraw/zinc/57/88/21/621578821.db2.gz SQYDAJAYOJARLS-OWCLPIDISA-N 2 0 298.434 2.546 20 0 CFADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343310 621578880 /nfs/dbraw/zinc/57/88/80/621578880.db2.gz SQYDAJAYOJARLS-XHSDSOJGSA-N 2 0 298.434 2.546 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904367075 621583386 /nfs/dbraw/zinc/58/33/86/621583386.db2.gz VFBOFSGGQOURFD-INMHGKMJSA-N 2 0 282.472 2.807 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000904367447 621584147 /nfs/dbraw/zinc/58/41/47/621584147.db2.gz AVWFYHKAYUDGLH-XQLPTFJDSA-N 2 0 280.456 2.687 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000904372955 621584708 /nfs/dbraw/zinc/58/47/08/621584708.db2.gz KYDQYMASAHPSCE-TXEJJXNPSA-N 2 0 268.788 2.518 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000904364550 621585290 /nfs/dbraw/zinc/58/52/90/621585290.db2.gz YOVCROOFFYNAED-IRXDYDNUSA-N 2 0 275.440 2.801 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000904388383 621585891 /nfs/dbraw/zinc/58/58/91/621585891.db2.gz IFZUBTXGQPXWBO-RWMBFGLXSA-N 2 0 291.464 2.549 20 0 CFADRP CCC(C)(C)[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904376339 621586990 /nfs/dbraw/zinc/58/69/90/621586990.db2.gz PCKONACGDXPXID-OAHLLOKOSA-N 2 0 283.504 2.946 20 0 CFADRP CN(CC1=CCSC1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904379265 621587693 /nfs/dbraw/zinc/58/76/93/621587693.db2.gz SBBQXFAMEFIQFQ-CYBMUJFWSA-N 2 0 256.459 2.745 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000904383610 621588142 /nfs/dbraw/zinc/58/81/42/621588142.db2.gz ABVSWEBKNMBLJX-WMLDXEAASA-N 2 0 283.504 2.837 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904384556 621588234 /nfs/dbraw/zinc/58/82/34/621588234.db2.gz MJABFNLLTLLRGH-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP [NH3+]Cc1ccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1 ZINC000904384454 621588320 /nfs/dbraw/zinc/58/83/20/621588320.db2.gz KRJACBOFUIDOEW-DLBZAZTESA-N 2 0 267.376 2.572 20 0 CFADRP c1cn(C2CC2)c(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000904385436 621588663 /nfs/dbraw/zinc/58/86/63/621588663.db2.gz VUQXCUAAHBAGEI-HNNXBMFYSA-N 2 0 288.439 2.620 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405103 621590180 /nfs/dbraw/zinc/59/01/80/621590180.db2.gz CZYYOKQGVYCLRH-WBVHZDCISA-N 2 0 260.425 2.926 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904409969 621591266 /nfs/dbraw/zinc/59/12/66/621591266.db2.gz LAWMGUMOOZUHAX-CMPLNLGQSA-N 2 0 270.779 2.896 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904409390 621591377 /nfs/dbraw/zinc/59/13/77/621591377.db2.gz ATUHSTXVHSIRQK-INIZCTEOSA-N 2 0 298.434 2.660 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904410616 621591999 /nfs/dbraw/zinc/59/19/99/621591999.db2.gz DXFOJKYGEUXFDK-HIFRSBDPSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1C[NH3+] ZINC000904411614 621592457 /nfs/dbraw/zinc/59/24/57/621592457.db2.gz ODUUYMFHDBOWMW-KBPBESRZSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412443 621593054 /nfs/dbraw/zinc/59/30/54/621593054.db2.gz SMQITYAXNDAWHJ-HOCLYGCPSA-N 2 0 298.434 2.802 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1C[NH3+] ZINC000904412415 621593067 /nfs/dbraw/zinc/59/30/67/621593067.db2.gz VJYSWWSXNQLZBV-NWDGAFQWSA-N 2 0 276.355 2.989 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1C[NH3+] ZINC000904412416 621593226 /nfs/dbraw/zinc/59/32/26/621593226.db2.gz VJYSWWSXNQLZBV-RYUDHWBXSA-N 2 0 276.355 2.989 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000904412469 621593418 /nfs/dbraw/zinc/59/34/18/621593418.db2.gz UHODHVLCPNPWGJ-INIZCTEOSA-N 2 0 288.435 2.994 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000904412470 621593454 /nfs/dbraw/zinc/59/34/54/621593454.db2.gz UHODHVLCPNPWGJ-MRXNPFEDSA-N 2 0 288.435 2.994 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)[C@H]1CCOC1 ZINC000904416292 621594025 /nfs/dbraw/zinc/59/40/25/621594025.db2.gz KJMSVEGUVLKFGN-HOTGVXAUSA-N 2 0 280.456 2.515 20 0 CFADRP c1c(C[NH2+][C@@H]2CCCc3cccnc32)sc2c1C[NH2+]CC2 ZINC000904428952 621594514 /nfs/dbraw/zinc/59/45/14/621594514.db2.gz RTQBYBJHNNSOIP-OAHLLOKOSA-N 2 0 299.443 2.956 20 0 CFADRP COC(=O)CCC1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000904433103 621595362 /nfs/dbraw/zinc/59/53/62/621595362.db2.gz KGVVEYGDXJKOTO-LSDHHAIUSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000904420231 621596368 /nfs/dbraw/zinc/59/63/68/621596368.db2.gz HUUSYNBBWCAPCK-HYVNUMGLSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@]12C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000904464979 621597594 /nfs/dbraw/zinc/59/75/94/621597594.db2.gz WYIJFTMFQVCGDA-OCAOTOIVSA-N 2 0 274.452 2.885 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000904442716 621598760 /nfs/dbraw/zinc/59/87/60/621598760.db2.gz FOFRJBCRIRHSSU-UHFFFAOYSA-N 2 0 290.407 2.612 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C ZINC000904469585 621601063 /nfs/dbraw/zinc/60/10/63/621601063.db2.gz NHLIWYLFVSHEQZ-GUTXKFCHSA-N 2 0 261.413 2.804 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]C1CC(C[NH3+])C1)C(C)(C)C ZINC000904470508 621601297 /nfs/dbraw/zinc/60/12/97/621601297.db2.gz YPVMEXNGZOGZKK-SSDMNJCBSA-N 2 0 261.413 2.804 20 0 CFADRP CC(C)([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000904476897 621601952 /nfs/dbraw/zinc/60/19/52/621601952.db2.gz SOWYEWRFCQJJSZ-XJKCOSOUSA-N 2 0 273.424 2.680 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000905054220 621686993 /nfs/dbraw/zinc/68/69/93/621686993.db2.gz GLHMLDOEXSYFJM-FUHWJXTLSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH2+][C@@H](CC(C)C)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000905308030 621746954 /nfs/dbraw/zinc/74/69/54/621746954.db2.gz VEOXIABQKWDZKR-ZDUSSCGKSA-N 2 0 274.368 2.502 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000924805042 621938669 /nfs/dbraw/zinc/93/86/69/621938669.db2.gz YIDLMAIHUAZZIK-YOEHRIQHSA-N 2 0 276.424 2.968 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)C1 ZINC000924844723 622672581 /nfs/dbraw/zinc/67/25/81/622672581.db2.gz WSEBJSFAJCQKQN-YQQAZPJKSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000820806796 622760665 /nfs/dbraw/zinc/76/06/65/622760665.db2.gz RBJCBPXWQCTSMW-XJKSGUPXSA-N 2 0 288.391 2.725 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820810123 622761762 /nfs/dbraw/zinc/76/17/62/622761762.db2.gz PHKNFGOYHUKRCA-HNNXBMFYSA-N 3 0 289.467 2.741 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820809575 622762070 /nfs/dbraw/zinc/76/20/70/622762070.db2.gz DIKXPEQYOMHSJK-NVXWUHKLSA-N 3 0 289.467 2.741 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccnn1CC1CCC1 ZINC000924856367 622876643 /nfs/dbraw/zinc/87/66/43/622876643.db2.gz XDEXYRVTHJWULN-AWEZNQCLSA-N 2 0 278.444 2.676 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165067635 622979467 /nfs/dbraw/zinc/97/94/67/622979467.db2.gz AFBQENAIWXTTMF-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CCCC[NH+](C)C ZINC000045598262 622991008 /nfs/dbraw/zinc/99/10/08/622991008.db2.gz ZHJYQYKWOCRCOJ-UHFFFAOYSA-N 2 0 270.804 2.780 20 0 CFADRP COc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000057993969 623023958 /nfs/dbraw/zinc/02/39/58/623023958.db2.gz ILVCGKPKURKRIF-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2cccs2)C2CC2)C1 ZINC000227799034 623119290 /nfs/dbraw/zinc/11/92/90/623119290.db2.gz YWPDCWHAVFEXPM-NWDGAFQWSA-N 2 0 250.411 2.840 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncc4ccccc43)C[C@H]21 ZINC000227996905 623124489 /nfs/dbraw/zinc/12/44/89/623124489.db2.gz OOCBPFHLQINZOL-BMGDILEWSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@H]21 ZINC000228472842 623144786 /nfs/dbraw/zinc/14/47/86/623144786.db2.gz CJMQCIAYWLAPNI-APHBMKBZSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc4ccccc34)C[C@H]21 ZINC000228536103 623148293 /nfs/dbraw/zinc/14/82/93/623148293.db2.gz BDIKPDOCHHLHID-APHBMKBZSA-N 2 0 270.376 2.992 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CCSCC2)c2ccccc21 ZINC000229219529 623188964 /nfs/dbraw/zinc/18/89/64/623188964.db2.gz UCMBZRDTMGWPEN-CABCVRRESA-N 2 0 262.422 2.864 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822966547 623210634 /nfs/dbraw/zinc/21/06/34/623210634.db2.gz IZYLZMJYKNKJON-NWDGAFQWSA-N 2 0 279.255 2.986 20 0 CFADRP C[C@H](C[NH2+]C[C@H](O)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000062071606 623246566 /nfs/dbraw/zinc/24/65/66/623246566.db2.gz LHJMTGRWRZGZNS-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP COc1cccc(CN(C)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000062862395 623300168 /nfs/dbraw/zinc/30/01/68/623300168.db2.gz OLNFGAQZFKBHBM-INIZCTEOSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 ZINC000823742930 623389484 /nfs/dbraw/zinc/38/94/84/623389484.db2.gz ZLHWLOARXXAOQE-MIFYACCESA-N 2 0 285.391 2.918 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000823818548 623399881 /nfs/dbraw/zinc/39/98/81/623399881.db2.gz GISKUJCMSQOCBV-UHFFFAOYSA-N 2 0 285.794 2.696 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)nn1 ZINC000929507432 623450530 /nfs/dbraw/zinc/45/05/30/623450530.db2.gz WCRNEFDQYYKQHV-UHFFFAOYSA-N 2 0 290.455 2.646 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088432687 623467348 /nfs/dbraw/zinc/46/73/48/623467348.db2.gz NVJHUBPECCKTTM-UHFFFAOYSA-N 2 0 252.324 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000312162948 623497246 /nfs/dbraw/zinc/49/72/46/623497246.db2.gz UEHOUCJZXVRPDZ-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP CC(C)[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000824988446 623600650 /nfs/dbraw/zinc/60/06/50/623600650.db2.gz LPNVFECBKMYWMO-AKBNIOSXSA-N 2 0 280.456 2.652 20 0 CFADRP CCCC[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000915228958 624002859 /nfs/dbraw/zinc/00/28/59/624002859.db2.gz LNXSKKMPNAMLLR-UHFFFAOYSA-N 2 0 256.459 2.738 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CCC(=O)CC(C)C)C1 ZINC000827970703 624142529 /nfs/dbraw/zinc/14/25/29/624142529.db2.gz LTPARLRVMCCLFK-OAHLLOKOSA-N 2 0 268.445 2.655 20 0 CFADRP CCCOCc1ccccc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925475407 624654851 /nfs/dbraw/zinc/65/48/51/624654851.db2.gz MPIOANGATZGTAM-RHSMWYFYSA-N 2 0 276.424 2.843 20 0 CFADRP CCCCC[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000232956659 624913662 /nfs/dbraw/zinc/91/36/62/624913662.db2.gz SDVJOEXAEAYXTH-CQSZACIVSA-N 2 0 256.434 2.561 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CCCCC[NH3+])c1 ZINC000831464925 625031014 /nfs/dbraw/zinc/03/10/14/625031014.db2.gz AMORKSZWTKXZGW-UHFFFAOYSA-N 2 0 277.412 2.514 20 0 CFADRP CCNC(NCC(C)(C)[NH2+][C@H](C)c1ccccc1)=[NH+]CC ZINC000069672685 625205151 /nfs/dbraw/zinc/20/51/51/625205151.db2.gz NZJMOUPINFXCIE-CQSZACIVSA-N 2 0 290.455 2.691 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cncc3ccccc32)C[C@H]1C[NH3+] ZINC000253192338 625250190 /nfs/dbraw/zinc/25/01/90/625250190.db2.gz NCQVQJDFXTXDMW-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP CCCCNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052629 625793299 /nfs/dbraw/zinc/79/32/99/625793299.db2.gz ADYOXTDZKAWKDZ-HNNXBMFYSA-N 2 0 290.455 2.601 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnn2C2CCC2)c1 ZINC000921514958 625964531 /nfs/dbraw/zinc/96/45/31/625964531.db2.gz WONQVZFOXGTFRW-UHFFFAOYSA-N 2 0 298.434 2.960 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC[N@@H+]2C1 ZINC000773137046 626102012 /nfs/dbraw/zinc/10/20/12/626102012.db2.gz OSQOTBZCSSWFEB-RYPNDVFKSA-N 2 0 298.521 2.582 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921825086 626148043 /nfs/dbraw/zinc/14/80/43/626148043.db2.gz CNAPSYPHEPZBKT-KFWWJZLASA-N 2 0 288.501 2.607 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921920305 626178137 /nfs/dbraw/zinc/17/81/37/626178137.db2.gz KTFNWUNZFGVSMJ-USFGWYQBSA-N 2 0 294.483 2.902 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000921967985 626187772 /nfs/dbraw/zinc/18/77/72/626187772.db2.gz KCSDCSHAKLUOJA-KBPBESRZSA-N 2 0 254.443 2.512 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]CC3(C)CC[NH+](C)CC3)ccc2O1 ZINC000921978693 626190052 /nfs/dbraw/zinc/19/00/52/626190052.db2.gz UUAOJTRCMFTRLY-CQSZACIVSA-N 2 0 288.435 2.832 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000922147250 626217507 /nfs/dbraw/zinc/21/75/07/626217507.db2.gz PJQRZMSBFJTKSX-UHFFFAOYSA-N 2 0 298.862 2.981 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)ccc2O1 ZINC000922171190 626230025 /nfs/dbraw/zinc/23/00/25/626230025.db2.gz IYQKVEHRVBCLKK-AWEZNQCLSA-N 2 0 288.435 2.974 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccncc2)CC1 ZINC000922510140 626300381 /nfs/dbraw/zinc/30/03/81/626300381.db2.gz UAHJKUSMITYJTR-UHFFFAOYSA-N 2 0 273.424 2.968 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851727655 634492837 /nfs/dbraw/zinc/49/28/37/634492837.db2.gz UMDBITGIKJPDOT-MRXNPFEDSA-N 2 0 298.471 2.582 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1(C)C ZINC000922728154 626354756 /nfs/dbraw/zinc/35/47/56/626354756.db2.gz GQMVOFLVYCVALD-HBNTYKKESA-N 2 0 264.335 2.647 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1(C)C ZINC000922813355 626368820 /nfs/dbraw/zinc/36/88/20/626368820.db2.gz QJYFSVNWQPCHFE-LSDHHAIUSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)O1 ZINC000922844346 626378689 /nfs/dbraw/zinc/37/86/89/626378689.db2.gz COQIOBMICWPUPX-WJTFHPDPSA-N 2 0 266.429 2.549 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922844264 626378756 /nfs/dbraw/zinc/37/87/56/626378756.db2.gz AUVASBLDDOSLRL-YZUHTNEWSA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CO1 ZINC000922846547 626379457 /nfs/dbraw/zinc/37/94/57/626379457.db2.gz MTEHNZYAWPFGRN-PWUWZPNHSA-N 2 0 266.429 2.551 20 0 CFADRP Cn1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(Cl)n1 ZINC000922845994 626379470 /nfs/dbraw/zinc/37/94/70/626379470.db2.gz JFLNUTWONZORLD-UHFFFAOYSA-N 2 0 296.846 2.570 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)sn1 ZINC000922845173 626380754 /nfs/dbraw/zinc/38/07/54/626380754.db2.gz CKLNZFOYFTUAPA-UHFFFAOYSA-N 2 0 279.453 2.948 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c(C)c1 ZINC000922950773 626431739 /nfs/dbraw/zinc/43/17/39/626431739.db2.gz DBQTZYFDNKATDK-SFHVURJKSA-N 2 0 288.435 2.646 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1cccc(F)c1 ZINC000923298516 626464097 /nfs/dbraw/zinc/46/40/97/626464097.db2.gz UZRIIWBYDJBCAP-OAHLLOKOSA-N 2 0 252.377 2.673 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303696 626464374 /nfs/dbraw/zinc/46/43/74/626464374.db2.gz ILWHSKVYDMYDAN-SWLSCSKDSA-N 2 0 294.826 2.711 20 0 CFADRP CC(C)CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923304769 626464757 /nfs/dbraw/zinc/46/47/57/626464757.db2.gz GPILDKZYZACJQX-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304077 626464965 /nfs/dbraw/zinc/46/49/65/626464965.db2.gz CHMRJZFNHWNPOC-QGZVFWFLSA-N 2 0 288.435 2.523 20 0 CFADRP C[N@H+](CCC[NH2+]C1CC1)[C@H]1CCc2ccccc2C1 ZINC000923316482 626465040 /nfs/dbraw/zinc/46/50/40/626465040.db2.gz VBSKREAPALAVGT-KRWDZBQOSA-N 2 0 258.409 2.618 20 0 CFADRP c1cc([C@@H]2CCCN2CCC[NH2+]C2CC2)cc2c1OCO2 ZINC000923311616 626465718 /nfs/dbraw/zinc/46/57/18/626465718.db2.gz QMRXQEFXFXRFPA-HNNXBMFYSA-N 2 0 288.391 2.694 20 0 CFADRP CC(C)(C)C[N@H+](CCCO)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923311073 626465749 /nfs/dbraw/zinc/46/57/49/626465749.db2.gz GOHQYZRAYQAWQI-MQVJKMGUSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923321656 626466535 /nfs/dbraw/zinc/46/65/35/626466535.db2.gz HQBFUWCMMHONCQ-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366040 626468937 /nfs/dbraw/zinc/46/89/37/626468937.db2.gz YURPSNMSDQANBQ-FVAVCCDCSA-N 2 0 291.483 2.514 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1c(F)cccc1Cl ZINC000923378383 626469214 /nfs/dbraw/zinc/46/92/14/626469214.db2.gz KGKOIZOQRNSWLM-WDEREUQCSA-N 2 0 298.789 2.508 20 0 CFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1=CCSC1 ZINC000923398779 626470793 /nfs/dbraw/zinc/47/07/93/626470793.db2.gz WHQGRKNGSWZVFW-LQDVMPOASA-N 2 0 266.454 2.512 20 0 CFADRP CN(C[C@@H](O)c1ccc(F)c(F)c1)C1(C[NH3+])CCCCC1 ZINC000923423980 626471772 /nfs/dbraw/zinc/47/17/72/626471772.db2.gz UGVXMRAXBSKWMJ-OAHLLOKOSA-N 2 0 298.377 2.592 20 0 CFADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](CCC[NH2+]C1CC1)C2 ZINC000923424553 626471779 /nfs/dbraw/zinc/47/17/79/626471779.db2.gz HKCNNHDAODYXPQ-AAEUAGOBSA-N 2 0 276.346 2.793 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449727 626473830 /nfs/dbraw/zinc/47/38/30/626473830.db2.gz BRAJCAQUVFXFIA-OWCLPIDISA-N 2 0 280.456 2.643 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449726 626473899 /nfs/dbraw/zinc/47/38/99/626473899.db2.gz BRAJCAQUVFXFIA-OAGGEKHMSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000923480063 626475842 /nfs/dbraw/zinc/47/58/42/626475842.db2.gz UYMQEIBMTHMDIK-DJIMGWMZSA-N 2 0 274.408 2.577 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000923481272 626475997 /nfs/dbraw/zinc/47/59/97/626475997.db2.gz IIDMBYBFMSGDDL-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP Cc1ccc(-c2cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)on2)cc1 ZINC000923487286 626476000 /nfs/dbraw/zinc/47/60/00/626476000.db2.gz YPQZWZMJOHYHFC-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000923480091 626476031 /nfs/dbraw/zinc/47/60/31/626476031.db2.gz VDDDQQJLIOHZLD-BPLDGKMQSA-N 2 0 280.362 2.706 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000923482167 626476221 /nfs/dbraw/zinc/47/62/21/626476221.db2.gz CJIZGDUBWODRNX-LBPRGKRZSA-N 2 0 279.453 2.971 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC000923495866 626476500 /nfs/dbraw/zinc/47/65/00/626476500.db2.gz DSTSADPABIUXQG-AAEUAGOBSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496116 626476591 /nfs/dbraw/zinc/47/65/91/626476591.db2.gz GRXPPQSABFZZNE-NQBHXWOUSA-N 2 0 268.351 2.943 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492314 626476633 /nfs/dbraw/zinc/47/66/33/626476633.db2.gz BQIAAFJUKSWXRA-HOCLYGCPSA-N 2 0 276.424 2.545 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@@H]1C[NH3+] ZINC000923492074 626476659 /nfs/dbraw/zinc/47/66/59/626476659.db2.gz VRVBRJNYUHVHLX-NRSFXHEJSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@H]1C[NH3+] ZINC000923492076 626476780 /nfs/dbraw/zinc/47/67/80/626476780.db2.gz VRVBRJNYUHVHLX-UBDQQSCGSA-N 2 0 288.435 2.823 20 0 CFADRP CCCCc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923502735 626476878 /nfs/dbraw/zinc/47/68/78/626476878.db2.gz YVTCZJMZWHZDNS-CHWSQXEVSA-N 2 0 281.469 2.902 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@H]1C[NH3+] ZINC000923502619 626476895 /nfs/dbraw/zinc/47/68/95/626476895.db2.gz XUOOEFFRDGZLGA-AAEUAGOBSA-N 2 0 297.240 2.866 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC000923494876 626476911 /nfs/dbraw/zinc/47/69/11/626476911.db2.gz PVUHKCMPVJPWFT-ZWNOBZJWSA-N 2 0 252.427 2.782 20 0 CFADRP C[C@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923502676 626476971 /nfs/dbraw/zinc/47/69/71/626476971.db2.gz DGQHKBQXADZHOI-STQMWFEESA-N 2 0 282.815 2.636 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1C[NH3+] ZINC000923495110 626477043 /nfs/dbraw/zinc/47/70/43/626477043.db2.gz TUQWGPDLWYYRKV-GUYCJALGSA-N 2 0 258.409 2.592 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923496858 626477045 /nfs/dbraw/zinc/47/70/45/626477045.db2.gz JXRILILNQNZKFW-KGLIPLIRSA-N 2 0 294.464 2.704 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498933 626477090 /nfs/dbraw/zinc/47/70/90/626477090.db2.gz QXACRYPEMWTJRQ-NEPJUHHUSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@H]1C[NH3+] ZINC000923499312 626477269 /nfs/dbraw/zinc/47/72/69/626477269.db2.gz MSMGSSUHPKAPDK-NEPJUHHUSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H]1C[NH3+] ZINC000923500387 626477296 /nfs/dbraw/zinc/47/72/96/626477296.db2.gz OFUNDPPJSJHBEU-DZGCQCFKSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499285 626477342 /nfs/dbraw/zinc/47/73/42/626477342.db2.gz MJLNYUSXFUIRMR-WMZOPIPTSA-N 2 0 290.451 2.553 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500774 626477403 /nfs/dbraw/zinc/47/74/03/626477403.db2.gz YASTZZGCQVTKHF-LSDHHAIUSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)CC[C@@H]1C[NH3+] ZINC000923500288 626477496 /nfs/dbraw/zinc/47/74/96/626477496.db2.gz NEORYIJQMHIVEG-VXGBXAGGSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)CC[C@H]1C[NH3+] ZINC000923501341 626477541 /nfs/dbraw/zinc/47/75/41/626477541.db2.gz QSJOUFHWVDZTNI-NEPJUHHUSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923504682 626477570 /nfs/dbraw/zinc/47/75/70/626477570.db2.gz SSORRFUDRZQPEF-OLZOCXBDSA-N 2 0 282.815 2.636 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc2n1 ZINC000923518131 626478426 /nfs/dbraw/zinc/47/84/26/626478426.db2.gz UWFDYDOOGYKDRR-GOEBONIOSA-N 2 0 281.403 2.585 20 0 CFADRP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518495 626478429 /nfs/dbraw/zinc/47/84/29/626478429.db2.gz LMJYWOHCXJSHLF-FRRDWIJNSA-N 2 0 264.800 2.942 20 0 CFADRP C(C[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000923524977 626478579 /nfs/dbraw/zinc/47/85/79/626478579.db2.gz BVBYBYGSODLPSF-IAGOWNOFSA-N 2 0 262.441 2.887 20 0 CFADRP c1ccc(OCCCN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000923534103 626479053 /nfs/dbraw/zinc/47/90/53/626479053.db2.gz OBMICGRWVKYKAN-KRWDZBQOSA-N 2 0 274.408 2.674 20 0 CFADRP [NH3+]CC[C@@H]1CN(CCC[NH+]2CCCCC2)c2ccccc21 ZINC000923554463 626479502 /nfs/dbraw/zinc/47/95/02/626479502.db2.gz HTFLGQRWRMPQLM-MRXNPFEDSA-N 2 0 287.451 2.815 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000838908662 626513385 /nfs/dbraw/zinc/51/33/85/626513385.db2.gz ZXDOKHRZPKXLKW-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000925487504 634508208 /nfs/dbraw/zinc/50/82/08/634508208.db2.gz CWZSTDRGYSPQIL-ZIAGYGMSSA-N 2 0 250.361 2.821 20 0 CFADRP CO[C@@H]1CC[C@H]([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000851750407 634511311 /nfs/dbraw/zinc/51/13/11/634511311.db2.gz FCAXXYYSLCMNPH-JKSUJKDBSA-N 2 0 268.445 2.606 20 0 CFADRP CO[C@H]1CC[C@@H]([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000851750395 634511480 /nfs/dbraw/zinc/51/14/80/634511480.db2.gz FCAXXYYSLCMNPH-CVEARBPZSA-N 2 0 268.445 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOCc2ccccc2)[C@H](C)C1 ZINC000764697052 627085084 /nfs/dbraw/zinc/08/50/84/627085084.db2.gz ULNALDHOJZSUSH-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2F)[C@H](C)C1 ZINC000764930338 627107260 /nfs/dbraw/zinc/10/72/60/627107260.db2.gz SJLXYCTVJJKIJF-GDBMZVCRSA-N 2 0 294.414 2.915 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000765072662 627117465 /nfs/dbraw/zinc/11/74/65/627117465.db2.gz FBBUJDAQAIDXDM-WMLDXEAASA-N 2 0 258.409 2.914 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CC2)CC1 ZINC000765482789 627141487 /nfs/dbraw/zinc/14/14/87/627141487.db2.gz VCCHUJRWWXHFAZ-UHFFFAOYSA-N 2 0 283.375 2.528 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC2)CC1 ZINC000765505119 627143434 /nfs/dbraw/zinc/14/34/34/627143434.db2.gz SGGWVRMTDSAOLS-UHFFFAOYSA-N 2 0 297.402 2.918 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000765851354 627160880 /nfs/dbraw/zinc/16/08/80/627160880.db2.gz ZTBKHOKLXFFOFL-OAHLLOKOSA-N 2 0 289.467 2.963 20 0 CFADRP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)o1 ZINC000770348923 627515063 /nfs/dbraw/zinc/51/50/63/627515063.db2.gz AQFJMNQKEWGZET-GOEBONIOSA-N 2 0 262.397 2.813 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@@H](C)C1 ZINC000772951666 627761064 /nfs/dbraw/zinc/76/10/64/627761064.db2.gz VEGWGTQUWWANBB-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP CCOc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774235901 627906950 /nfs/dbraw/zinc/90/69/50/627906950.db2.gz HPYLGYAARBQTCA-ALOPSCKCSA-N 2 0 288.435 2.843 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000774845301 627970204 /nfs/dbraw/zinc/97/02/04/627970204.db2.gz FKULBSOIHDVOAW-INIZCTEOSA-N 2 0 266.429 2.731 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775366481 628016354 /nfs/dbraw/zinc/01/63/54/628016354.db2.gz XLDURFPUFBIKRC-AGIUHOORSA-N 2 0 288.526 2.543 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000779344636 628376256 /nfs/dbraw/zinc/37/62/56/628376256.db2.gz IZMKWPZZUCHBAQ-MRXNPFEDSA-N 2 0 290.451 2.779 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780285335 628450309 /nfs/dbraw/zinc/45/03/09/628450309.db2.gz ISPVOVKNGBIQFN-QGZVFWFLSA-N 2 0 272.436 2.990 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000783234218 628690543 /nfs/dbraw/zinc/69/05/43/628690543.db2.gz RDQWEZFPABVWHF-YOEHRIQHSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000783241912 628691620 /nfs/dbraw/zinc/69/16/20/628691620.db2.gz YFJRHIBUMRNJDI-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000783240172 628691684 /nfs/dbraw/zinc/69/16/84/628691684.db2.gz OKSRLENNDOOWNC-KSSFIOAISA-N 2 0 288.435 2.531 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000783244694 628692026 /nfs/dbraw/zinc/69/20/26/628692026.db2.gz HTJKWWWPFSOBBY-NHYWBVRUSA-N 2 0 250.361 2.775 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000783493260 628712999 /nfs/dbraw/zinc/71/29/99/628712999.db2.gz FQSDBSMDGKBLMX-HNNXBMFYSA-N 2 0 264.438 2.733 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788540445 629079965 /nfs/dbraw/zinc/07/99/65/629079965.db2.gz RLTPVFYQJKBOFU-RBSFLKMASA-N 2 0 291.439 2.806 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788594657 629084441 /nfs/dbraw/zinc/08/44/41/629084441.db2.gz OHJVBWSNOMJJQA-UONOGXRCSA-N 2 0 277.412 2.558 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788594655 629084658 /nfs/dbraw/zinc/08/46/58/629084658.db2.gz OHJVBWSNOMJJQA-KBPBESRZSA-N 2 0 277.412 2.558 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1)C(C)C ZINC000788607680 629086774 /nfs/dbraw/zinc/08/67/74/629086774.db2.gz BZUZHDMIJDQKHC-AWEZNQCLSA-N 2 0 279.428 2.947 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C)o1 ZINC000835063106 629366326 /nfs/dbraw/zinc/36/63/26/629366326.db2.gz UUMQPRUMFCODEU-UHFFFAOYSA-N 2 0 250.386 2.860 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000793002624 629475272 /nfs/dbraw/zinc/47/52/72/629475272.db2.gz ZPWSZDOTEAAJTD-OTBWCIGPSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@H](O)c1ccccc1 ZINC000794615758 629668644 /nfs/dbraw/zinc/66/86/44/629668644.db2.gz YVLMZCPEYYKJCZ-OKZBNKHCSA-N 2 0 290.451 2.819 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000796812158 629970987 /nfs/dbraw/zinc/97/09/87/629970987.db2.gz QSHFFKNQYQHFBA-RDBSUJKOSA-N 2 0 270.486 2.981 20 0 CFADRP Cn1c(Cl)cnc1C[NH2+]CCCCCCC[NH+](C)C ZINC000799334998 630299639 /nfs/dbraw/zinc/29/96/39/630299639.db2.gz KJUGQOXNCCHQQU-UHFFFAOYSA-N 2 0 286.851 2.675 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(Cl)n1C ZINC000799334720 630299768 /nfs/dbraw/zinc/29/97/68/630299768.db2.gz YPOWUQVSKUYXPB-ZDUSSCGKSA-N 2 0 298.862 2.818 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799725076 630340274 /nfs/dbraw/zinc/34/02/74/630340274.db2.gz CVEBLAKNLNUJDK-MRXNPFEDSA-N 2 0 283.504 2.961 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000800332144 630371849 /nfs/dbraw/zinc/37/18/49/630371849.db2.gz NBRDIWHLYKWLMO-INIZCTEOSA-N 2 0 296.842 2.647 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000800494826 630392740 /nfs/dbraw/zinc/39/27/40/630392740.db2.gz IQXHGWLZYCTPTR-LBPRGKRZSA-N 2 0 281.831 2.863 20 0 CFADRP C[C@@H]1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000802309256 630525786 /nfs/dbraw/zinc/52/57/86/630525786.db2.gz PPCZNFHXXJUOGK-HYCWQLOCSA-N 2 0 280.456 2.795 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000852750029 634822966 /nfs/dbraw/zinc/82/29/66/634822966.db2.gz LTJBOYWQMITBMH-QGZVFWFLSA-N 2 0 293.414 2.717 20 0 CFADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCCCC1 ZINC000852745203 634820357 /nfs/dbraw/zinc/82/03/57/634820357.db2.gz QCLUPBVOQKVNSB-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC000852753882 634825963 /nfs/dbraw/zinc/82/59/63/634825963.db2.gz UUJQDFRGTOWQDZ-UTUOFQBUSA-N 2 0 293.238 2.666 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000852760743 634826986 /nfs/dbraw/zinc/82/69/86/634826986.db2.gz MXWACBKOOLSLSX-QGZVFWFLSA-N 2 0 275.440 2.716 20 0 CFADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCCCCC[NH3+])cn1 ZINC000852759203 634827073 /nfs/dbraw/zinc/82/70/73/634827073.db2.gz LDJKEWGQGAIFOM-IAGOWNOFSA-N 2 0 292.471 2.630 20 0 CFADRP CCCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852760221 634827214 /nfs/dbraw/zinc/82/72/14/634827214.db2.gz CIXATCVWUTXLAU-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP C[NH+]1CCCC[C@@H]1CCC(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000803858772 630649402 /nfs/dbraw/zinc/64/94/02/630649402.db2.gz TZPCKAMHUFPTAG-CVEARBPZSA-N 2 0 296.455 2.669 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806150370 630774262 /nfs/dbraw/zinc/77/42/62/630774262.db2.gz QUVOURHFZHGLHS-CYBMUJFWSA-N 2 0 277.799 2.574 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000843127416 630807221 /nfs/dbraw/zinc/80/72/21/630807221.db2.gz PAWCPHXSJNPRFG-UHFFFAOYSA-N 2 0 272.339 2.897 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cn(C)cn3)CC2)CC1 ZINC000808400597 630986672 /nfs/dbraw/zinc/98/66/72/630986672.db2.gz QYLUVSAYINMIDL-UHFFFAOYSA-N 2 0 290.455 2.553 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)c1ccccc1 ZINC000808720478 631036436 /nfs/dbraw/zinc/03/64/36/631036436.db2.gz WGJWQPHAHIXSDY-KSSFIOAISA-N 2 0 288.435 2.573 20 0 CFADRP CC(C)CC1(C)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000808780617 631046864 /nfs/dbraw/zinc/04/68/64/631046864.db2.gz UTMNTHDFPJEQRI-INIZCTEOSA-N 2 0 282.472 2.591 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000104084812 631293484 /nfs/dbraw/zinc/29/34/84/631293484.db2.gz KGONHDHSBDIIAY-UHFFFAOYSA-N 2 0 294.414 2.868 20 0 CFADRP [NH3+]CCC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000841008304 631304632 /nfs/dbraw/zinc/30/46/32/631304632.db2.gz OIGSTWRQIVKNEC-UHFFFAOYSA-N 2 0 257.381 2.696 20 0 CFADRP CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841010377 631305376 /nfs/dbraw/zinc/30/53/76/631305376.db2.gz WBMLCVITSZMRBC-LZLYRXPVSA-N 2 0 290.451 2.738 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000841060683 631326712 /nfs/dbraw/zinc/32/67/12/631326712.db2.gz AUYZPXOAEXMGPK-ZFWWWQNUSA-N 2 0 262.397 2.542 20 0 CFADRP Clc1csc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000841079783 631333477 /nfs/dbraw/zinc/33/34/77/631333477.db2.gz NXFWCFSGVLZZQO-NSHDSACASA-N 2 0 256.802 2.633 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000841085809 631333690 /nfs/dbraw/zinc/33/36/90/631333690.db2.gz BLPKOWYQZLTYOG-KRWDZBQOSA-N 2 0 294.402 2.904 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)oc21 ZINC000841101631 631339903 /nfs/dbraw/zinc/33/99/03/631339903.db2.gz XBXSBSDFCGEBSG-OCCSQVGLSA-N 2 0 288.391 2.858 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000842218964 631566371 /nfs/dbraw/zinc/56/63/71/631566371.db2.gz TUFKKKRPKVZDCC-UHFFFAOYSA-N 2 0 295.386 2.852 20 0 CFADRP CC(C)[C@@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000840235627 631585709 /nfs/dbraw/zinc/58/57/09/631585709.db2.gz MZLRDDAPJXSMEU-CVEARBPZSA-N 2 0 296.455 2.524 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)no1 ZINC000842471727 631639576 /nfs/dbraw/zinc/63/95/76/631639576.db2.gz VHXOOBBNRQJFBT-HIFRSBDPSA-N 2 0 263.385 2.510 20 0 CFADRP Cc1cc(C2CC[NH+](CCCCCCC[NH3+])CC2)[nH]n1 ZINC000842479089 631642272 /nfs/dbraw/zinc/64/22/72/631642272.db2.gz VFXUNSSORULEJR-UHFFFAOYSA-N 2 0 278.444 2.807 20 0 CFADRP CCCCCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000842478616 631642317 /nfs/dbraw/zinc/64/23/17/631642317.db2.gz INZMNAVENAATDA-HOTGVXAUSA-N 2 0 268.445 2.785 20 0 CFADRP C[NH2+]C[C@H]1CCCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000843045403 631811579 /nfs/dbraw/zinc/81/15/79/631811579.db2.gz WNUBWHHKHVGAHT-CYBMUJFWSA-N 2 0 288.391 2.873 20 0 CFADRP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843056084 631818559 /nfs/dbraw/zinc/81/85/59/631818559.db2.gz YKYLPTHLAWJRRH-UHFFFAOYSA-N 2 0 284.407 2.778 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055272 631819253 /nfs/dbraw/zinc/81/92/53/631819253.db2.gz VDLZJSDXVDPOFC-UHFFFAOYSA-N 2 0 298.434 2.882 20 0 CFADRP CCOc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1OC ZINC000843056747 631820579 /nfs/dbraw/zinc/82/05/79/631820579.db2.gz YTABESHWHALIAV-UHFFFAOYSA-N 2 0 292.423 2.796 20 0 CFADRP CCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1OCC ZINC000843105461 631836546 /nfs/dbraw/zinc/83/65/46/631836546.db2.gz FYXFHVAVKDOZQR-UHFFFAOYSA-N 2 0 292.423 2.844 20 0 CFADRP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843118177 631840015 /nfs/dbraw/zinc/84/00/15/631840015.db2.gz AXGXFTTVKNWOEV-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000843119754 631841423 /nfs/dbraw/zinc/84/14/23/631841423.db2.gz IGKCRUBVYSCASH-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP COc1cccc2cc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)oc21 ZINC000843126611 631844683 /nfs/dbraw/zinc/84/46/83/631844683.db2.gz LTPSAOFFQWKYBD-HIFRSBDPSA-N 2 0 286.375 2.625 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]CCCCCC[NH3+] ZINC000843126512 631844762 /nfs/dbraw/zinc/84/47/62/631844762.db2.gz HTJNQADHGDEMBZ-UHFFFAOYSA-N 2 0 287.407 2.852 20 0 CFADRP C[N@H+](Cc1ccc(SC(F)F)cc1)C1CC([NH3+])C1 ZINC000843125474 631845846 /nfs/dbraw/zinc/84/58/46/631845846.db2.gz XGUSUDQCTUHQNR-UHFFFAOYSA-N 2 0 272.364 2.923 20 0 CFADRP [NH3+]CCCCCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000843127382 631846528 /nfs/dbraw/zinc/84/65/28/631846528.db2.gz OTZXUFQZBATUBV-UHFFFAOYSA-N 2 0 295.393 2.512 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000843127380 631846921 /nfs/dbraw/zinc/84/69/21/631846921.db2.gz QMBPRCSVZHSJCM-AWEZNQCLSA-N 2 0 279.815 2.557 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1C ZINC000843128137 631847652 /nfs/dbraw/zinc/84/76/52/631847652.db2.gz ICPWXLZFNGNAPM-OLZOCXBDSA-N 2 0 250.386 2.527 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCCC[NH3+] ZINC000843128801 631847800 /nfs/dbraw/zinc/84/78/00/631847800.db2.gz ZYZXNFGOGIMFEN-CQSZACIVSA-N 2 0 292.423 2.845 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000843129567 631848802 /nfs/dbraw/zinc/84/88/02/631848802.db2.gz PSGLLSHLHYAYNR-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP COc1cc(C[NH2+]CCCCCC[NH3+])ccc1C ZINC000843130143 631849190 /nfs/dbraw/zinc/84/91/90/631849190.db2.gz YRYNNSCVIBRARH-UHFFFAOYSA-N 2 0 250.386 2.612 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843128928 631849192 /nfs/dbraw/zinc/84/91/92/631849192.db2.gz ZNXYCBBECXCZNM-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843340385 631931156 /nfs/dbraw/zinc/93/11/56/631931156.db2.gz LQHMQSKDEQZNGM-KFFIEVIZSA-N 2 0 256.393 2.678 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342795 631932413 /nfs/dbraw/zinc/93/24/13/631932413.db2.gz UMPFHYDJJFDINI-ZBFHGGJFSA-N 2 0 264.413 2.871 20 0 CFADRP ClC1(Cl)C[C@H]1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843347625 631934601 /nfs/dbraw/zinc/93/46/01/631934601.db2.gz XOFJKHPPLNTGHU-SNVBAGLBSA-N 2 0 277.239 2.787 20 0 CFADRP CCc1cccc(OCC[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843353658 631935578 /nfs/dbraw/zinc/93/55/78/631935578.db2.gz HEUSEFYFVJDGAC-UHFFFAOYSA-N 2 0 276.424 2.830 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)no1 ZINC000843356845 631935672 /nfs/dbraw/zinc/93/56/72/631935672.db2.gz DYYPEQMCWFQFEZ-INIZCTEOSA-N 2 0 277.412 2.900 20 0 CFADRP Fc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843358162 631937438 /nfs/dbraw/zinc/93/74/38/631937438.db2.gz GVXONUXPFTZUMR-CYBMUJFWSA-N 2 0 262.372 2.615 20 0 CFADRP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377633 631940890 /nfs/dbraw/zinc/94/08/90/631940890.db2.gz GCYHTVPXQOKHRL-JKSUJKDBSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCF ZINC000843376380 631941123 /nfs/dbraw/zinc/94/11/23/631941123.db2.gz BZBLQJOZDJUGTK-HZPDHXFCSA-N 2 0 264.388 2.628 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843386507 631942784 /nfs/dbraw/zinc/94/27/84/631942784.db2.gz JPMBYXOWYFMTOC-KGLIPLIRSA-N 2 0 293.842 2.947 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000843388635 631943847 /nfs/dbraw/zinc/94/38/47/631943847.db2.gz UZJMVYCRVXQQNI-QWHCGFSZSA-N 2 0 279.815 2.557 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387913 631943959 /nfs/dbraw/zinc/94/39/59/631943959.db2.gz YGDMWAPELKYBMQ-IAGOWNOFSA-N 3 0 281.488 2.607 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCSCC1 ZINC000925485421 632128850 /nfs/dbraw/zinc/12/88/50/632128850.db2.gz CHRQOBOGPOLXAS-JKSUJKDBSA-N 2 0 282.497 2.888 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)CCCCCC[NH3+])cc1F ZINC000844188069 632132894 /nfs/dbraw/zinc/13/28/94/632132894.db2.gz NSNWFQFRTBCDOL-UHFFFAOYSA-N 2 0 295.402 2.735 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCN(Cc2cccs2)CC1 ZINC000844220886 632136440 /nfs/dbraw/zinc/13/64/40/632136440.db2.gz NVTRBAUFICFZRL-UHFFFAOYSA-N 2 0 295.496 2.775 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCC[NH3+])[C@H](C)C1 ZINC000844220749 632136645 /nfs/dbraw/zinc/13/66/45/632136645.db2.gz AKIHHUFWMMUHIR-CVEARBPZSA-N 3 0 269.477 2.558 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000844221546 632137167 /nfs/dbraw/zinc/13/71/67/632137167.db2.gz PSRVQPJUDRFONK-QGZVFWFLSA-N 3 0 281.488 2.703 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C[NH+](C)C)C1 ZINC000814871751 632143970 /nfs/dbraw/zinc/14/39/70/632143970.db2.gz ICCVLFGSXIZPRO-ZDUSSCGKSA-N 2 0 285.391 2.631 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000815627959 632300978 /nfs/dbraw/zinc/30/09/78/632300978.db2.gz OKJDJWPZVDLXPA-DGCLKSJQSA-N 2 0 252.377 2.982 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000844904045 632332253 /nfs/dbraw/zinc/33/22/53/632332253.db2.gz XQTABDHUYGFSNN-GHMZBOCLSA-N 2 0 264.335 2.826 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000844922529 632337595 /nfs/dbraw/zinc/33/75/95/632337595.db2.gz AJPMNPKNQMWSKL-DCAQKATOSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)nc1 ZINC000844923439 632337736 /nfs/dbraw/zinc/33/77/36/632337736.db2.gz RVJBRDNFAKCSRM-JTQLQIEISA-N 2 0 253.777 2.515 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000844922532 632338077 /nfs/dbraw/zinc/33/80/77/632338077.db2.gz AJPMNPKNQMWSKL-GMTAPVOTSA-N 2 0 265.228 2.691 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000844924195 632338737 /nfs/dbraw/zinc/33/87/37/632338737.db2.gz JPCZJEWZDYFBSY-MROQNXINSA-N 2 0 291.266 2.938 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844927016 632339712 /nfs/dbraw/zinc/33/97/12/632339712.db2.gz YODKMWHPAAONFI-GARJFASQSA-N 2 0 265.228 2.677 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCC2 ZINC000846176953 632654442 /nfs/dbraw/zinc/65/44/42/632654442.db2.gz KGZOZXQJWKETRC-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC[N@@H+]1C ZINC000846186790 632656260 /nfs/dbraw/zinc/65/62/60/632656260.db2.gz BVIHRLMLUYXLNW-FVCCEPFGSA-N 2 0 262.800 2.763 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000846187806 632657745 /nfs/dbraw/zinc/65/77/45/632657745.db2.gz LIEJIHAGVHBAJL-RLFYNMQTSA-N 2 0 290.451 2.603 20 0 CFADRP C[C@]1(c2ccccc2)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846217569 632662976 /nfs/dbraw/zinc/66/29/76/632662976.db2.gz DNAZJVDPEXDUSD-QGZVFWFLSA-N 2 0 276.424 2.753 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000846218955 632664387 /nfs/dbraw/zinc/66/43/87/632664387.db2.gz AGDVIXDUNMBWPJ-UHFFFAOYSA-N 2 0 268.351 2.842 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846222475 632666653 /nfs/dbraw/zinc/66/66/53/632666653.db2.gz DAVBNWZUNDDKNI-CQSZACIVSA-N 2 0 264.417 2.683 20 0 CFADRP Cc1cccc(CN2CC[NH+](CCCCCC[NH3+])CC2)c1 ZINC000846221804 632666666 /nfs/dbraw/zinc/66/66/66/632666666.db2.gz PFMZBUFPXNBXPL-UHFFFAOYSA-N 2 0 289.467 2.632 20 0 CFADRP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCCCCC[NH3+] ZINC000846222451 632667501 /nfs/dbraw/zinc/66/75/01/632667501.db2.gz CUDLHKKJRWBBRQ-YOEHRIQHSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCCCC[NH3+])c1nc(C2CC2)no1 ZINC000846224398 632668310 /nfs/dbraw/zinc/66/83/10/632668310.db2.gz WKFLHEPKBBGGCO-CYBMUJFWSA-N 2 0 280.416 2.753 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000846226550 632668870 /nfs/dbraw/zinc/66/88/70/632668870.db2.gz OYHBKENZOMCINE-XJKSGUPXSA-N 2 0 280.387 2.654 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817892004 632718155 /nfs/dbraw/zinc/71/81/55/632718155.db2.gz IPDVIRVSVONMPV-OKZBNKHCSA-N 2 0 282.387 2.763 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817889902 632718406 /nfs/dbraw/zinc/71/84/06/632718406.db2.gz QGEDYWGIRDJUBL-OKZBNKHCSA-N 2 0 282.387 2.763 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817890684 632718547 /nfs/dbraw/zinc/71/85/47/632718547.db2.gz XBRLDRXEJRRRDW-ZYSHUDEJSA-N 2 0 298.430 2.577 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817889568 632718647 /nfs/dbraw/zinc/71/86/47/632718647.db2.gz PMMMNOPEFPITHN-XMTFNYHQSA-N 2 0 288.435 2.539 20 0 CFADRP CCCCC[C@@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817894454 632720840 /nfs/dbraw/zinc/72/08/40/632720840.db2.gz ZATTVQKJFYKTFM-HUUCEWRRSA-N 2 0 298.471 2.866 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895322 632720903 /nfs/dbraw/zinc/72/09/03/632720903.db2.gz SWVDAUFRTSFLAU-IGJMFERPSA-N 2 0 291.222 2.742 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000817897412 632721502 /nfs/dbraw/zinc/72/15/02/632721502.db2.gz OLWQLLOADUXIDX-OAGGEKHMSA-N 2 0 275.440 2.679 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897728 632722008 /nfs/dbraw/zinc/72/20/08/632722008.db2.gz WKFOPTMELWSBDI-SJORKVTESA-N 2 0 279.472 2.501 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccccc1 ZINC000817901047 632724642 /nfs/dbraw/zinc/72/46/42/632724642.db2.gz RVWFIITYUILULR-DOTOQJQBSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817904617 632727034 /nfs/dbraw/zinc/72/70/34/632727034.db2.gz DWGSAQRDDVAJPK-KFZJALRRSA-N 2 0 294.414 2.615 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000817906251 632728122 /nfs/dbraw/zinc/72/81/22/632728122.db2.gz ZCCNRVYGQJLHJR-VZEFYGNVSA-N 2 0 294.414 2.887 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904944 632728520 /nfs/dbraw/zinc/72/85/20/632728520.db2.gz IIZZREWDKIHERV-MDASCCDHSA-N 2 0 298.430 2.851 20 0 CFADRP C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000817908590 632730165 /nfs/dbraw/zinc/73/01/65/632730165.db2.gz SWMAGHXUXRXVKS-QJPTWQEYSA-N 2 0 254.805 2.986 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817910601 632730171 /nfs/dbraw/zinc/73/01/71/632730171.db2.gz WLJOQXOGSITACY-KZNAEPCWSA-N 2 0 282.387 2.763 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817911622 632731003 /nfs/dbraw/zinc/73/10/03/632731003.db2.gz BHIGUMBDZQCZSI-LJIZCISZSA-N 2 0 292.423 2.602 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817913152 632731319 /nfs/dbraw/zinc/73/13/19/632731319.db2.gz GCDGQQGBJJALJE-HZPDHXFCSA-N 3 0 267.461 2.502 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000817914376 632731811 /nfs/dbraw/zinc/73/18/11/632731811.db2.gz VOZONSURTHLOGH-BMFZPTHFSA-N 2 0 296.480 2.856 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000817914794 632732124 /nfs/dbraw/zinc/73/21/24/632732124.db2.gz ZWESRJLQBMGZRA-JYJNAYRXSA-N 2 0 288.416 2.690 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000817915964 632732232 /nfs/dbraw/zinc/73/22/32/632732232.db2.gz SPZIJKHFQLVPOC-LRDDRELGSA-N 2 0 289.448 2.542 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914653 632732263 /nfs/dbraw/zinc/73/22/63/632732263.db2.gz WZONVJJUWKRHCX-IRXDYDNUSA-N 3 0 281.488 2.750 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)CCC2 ZINC000817921517 632734373 /nfs/dbraw/zinc/73/43/73/632734373.db2.gz AFJCOHCLZSBZIZ-ZKYQVNSYSA-N 2 0 279.453 2.807 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817922252 632735373 /nfs/dbraw/zinc/73/53/73/632735373.db2.gz CFKCSAIVOJIQGD-DOMZBBRYSA-N 2 0 284.831 2.655 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000817922868 632736007 /nfs/dbraw/zinc/73/60/07/632736007.db2.gz NKUNPWPGBKZSCF-MAZHCROVSA-N 2 0 296.842 2.655 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817925144 632737640 /nfs/dbraw/zinc/73/76/40/632737640.db2.gz RZEKCWPGKXCFDS-GDBMZVCRSA-N 2 0 276.424 2.521 20 0 CFADRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)c1ccccc1 ZINC000817928255 632738607 /nfs/dbraw/zinc/73/86/07/632738607.db2.gz ZIOAUFBTBRJMHJ-CIQAELJKSA-N 2 0 288.435 2.617 20 0 CFADRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)c1ccccc1 ZINC000817928258 632738703 /nfs/dbraw/zinc/73/87/03/632738703.db2.gz ZIOAUFBTBRJMHJ-ZFHLEULCSA-N 2 0 288.435 2.617 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1(Cl)Cl ZINC000817936107 632741778 /nfs/dbraw/zinc/74/17/78/632741778.db2.gz GOUQBXKCOVNMBK-HBNTYKKESA-N 2 0 265.228 2.677 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccnc(Cl)c1 ZINC000817947728 632749060 /nfs/dbraw/zinc/74/90/60/632749060.db2.gz PKMHZGPCQRPRSZ-GVXVVHGQSA-N 2 0 267.804 2.774 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1(C)C ZINC000817948265 632749525 /nfs/dbraw/zinc/74/95/25/632749525.db2.gz HZDIYNIDGIENRU-IRXDYDNUSA-N 2 0 290.451 2.870 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000817964819 632762898 /nfs/dbraw/zinc/76/28/98/632762898.db2.gz KAHMVKWBZYSCIY-LBPRGKRZSA-N 2 0 258.475 2.886 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCO2 ZINC000817965234 632764270 /nfs/dbraw/zinc/76/42/70/632764270.db2.gz RLTSHNUYKLVELG-CQSZACIVSA-N 2 0 260.381 2.544 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1C ZINC000817968106 632766498 /nfs/dbraw/zinc/76/64/98/632766498.db2.gz PCKYUKDXLOGJBI-AWEZNQCLSA-N 2 0 274.408 2.882 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H](C)C[NH3+])ccc1OC ZINC000817969906 632768285 /nfs/dbraw/zinc/76/82/85/632768285.db2.gz HYGQAVAJGHZQGP-KBPBESRZSA-N 2 0 293.455 2.535 20 0 CFADRP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H](C)[NH3+])CC2)cc1 ZINC000817974125 632773091 /nfs/dbraw/zinc/77/30/91/632773091.db2.gz ZAIRCYIDTUNQBY-NNGSBXSVSA-N 2 0 290.451 2.877 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976106 632774479 /nfs/dbraw/zinc/77/44/79/632774479.db2.gz GGXCJIMTLPBIFC-CJNGLKHVSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Br)nc1 ZINC000817977304 632775341 /nfs/dbraw/zinc/77/53/41/632775341.db2.gz HCMSNBYNAWJODQ-VHSXEESVSA-N 2 0 286.217 2.622 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817981315 632778023 /nfs/dbraw/zinc/77/80/23/632778023.db2.gz QYGHCBNTZNXAKI-DGCLKSJQSA-N 2 0 267.804 2.918 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817982278 632778690 /nfs/dbraw/zinc/77/86/90/632778690.db2.gz QPYSHWKPYQWTGN-KCQAQPDRSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCO2 ZINC000817985990 632782237 /nfs/dbraw/zinc/78/22/37/632782237.db2.gz OYFVOUDPUWCQIB-CZUORRHYSA-N 2 0 286.419 2.947 20 0 CFADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000818940829 632911212 /nfs/dbraw/zinc/91/12/12/632911212.db2.gz GXDCWGYNDMQEBL-KRWDZBQOSA-N 2 0 294.414 2.630 20 0 CFADRP C[C@H](C[NH2+]C[C@H](O)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000818967006 632917607 /nfs/dbraw/zinc/91/76/07/632917607.db2.gz PGIGUSXXIDWZGG-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000818984303 632921438 /nfs/dbraw/zinc/92/14/38/632921438.db2.gz DKLKCGOUWRDGGV-FUHWJXTLSA-N 2 0 290.451 2.738 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000818984222 632921500 /nfs/dbraw/zinc/92/15/00/632921500.db2.gz AWMZUGYUXIGFLL-WMLDXEAASA-N 2 0 294.414 2.569 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000818985177 632923039 /nfs/dbraw/zinc/92/30/39/632923039.db2.gz PZOFLVBAGAIZLW-YOEHRIQHSA-N 2 0 294.414 2.569 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000819102049 632965716 /nfs/dbraw/zinc/96/57/16/632965716.db2.gz GHUDHYHMLVAAIN-ZBFHGGJFSA-N 2 0 278.440 2.594 20 0 CFADRP C[C@H](CC[NH2+]CC1(O)CCCCC1)[NH+]1CCCCC1 ZINC000819231355 633028978 /nfs/dbraw/zinc/02/89/78/633028978.db2.gz UKOWWYFSRZEUNM-OAHLLOKOSA-N 2 0 268.445 2.536 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000819359712 633108447 /nfs/dbraw/zinc/10/84/47/633108447.db2.gz GSOMMLASJUYYMT-INIZCTEOSA-N 2 0 275.396 2.755 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000848568329 633292233 /nfs/dbraw/zinc/29/22/33/633292233.db2.gz GFQIVOFXGCZWME-QZTJIDSGSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000848599287 633297391 /nfs/dbraw/zinc/29/73/91/633297391.db2.gz HIHBVNISGUQLMS-LBPRGKRZSA-N 2 0 268.351 2.568 20 0 CFADRP C[NH2+][C@@H](C)c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000848618860 633299138 /nfs/dbraw/zinc/29/91/38/633299138.db2.gz WNPDAAKNMLINKC-LBPRGKRZSA-N 2 0 286.379 2.613 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C1 ZINC000848721988 633325757 /nfs/dbraw/zinc/32/57/57/633325757.db2.gz JYBKRJPMXKTHNM-MXWKQRLJSA-N 2 0 265.228 2.820 20 0 CFADRP COc1ccc2c(NC[C@H]3C[C@@H]([NH+](C)C)C3)cc[nH+]c2c1 ZINC000848753610 633336122 /nfs/dbraw/zinc/33/61/22/633336122.db2.gz JBHAOEHJFUPTCN-BETUJISGSA-N 2 0 285.391 2.996 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857252798 635957089 /nfs/dbraw/zinc/95/70/89/635957089.db2.gz DJCYXNOBDHUOCE-DCAQKATOSA-N 2 0 265.228 2.677 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000849008870 633457903 /nfs/dbraw/zinc/45/79/03/633457903.db2.gz GQBXDSKZQQOKKA-GOEBONIOSA-N 2 0 288.439 2.563 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000849008866 633458303 /nfs/dbraw/zinc/45/83/03/633458303.db2.gz GQBXDSKZQQOKKA-GDBMZVCRSA-N 2 0 288.439 2.563 20 0 CFADRP CCNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000849007855 633458315 /nfs/dbraw/zinc/45/83/15/633458315.db2.gz XWTDASYIEPXYHI-ZBFHGGJFSA-N 2 0 290.455 2.886 20 0 CFADRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+](C)C)cc1 ZINC000849030332 633470637 /nfs/dbraw/zinc/47/06/37/633470637.db2.gz LFAQFGLFULDAHA-CYBMUJFWSA-N 2 0 292.427 2.608 20 0 CFADRP CC[N@H+](CCCNC(=[NH2+])NC(C)(C)C)C1CCCCC1 ZINC000849046769 633479404 /nfs/dbraw/zinc/47/94/04/633479404.db2.gz LAVPDZAITJDIKN-UHFFFAOYSA-N 2 0 282.476 2.944 20 0 CFADRP Cc1ccc(NC(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000849050147 633480977 /nfs/dbraw/zinc/48/09/77/633480977.db2.gz UKUYZURVTGBFIH-OTVXOJSOSA-N 2 0 274.412 2.580 20 0 CFADRP CC(C)C[C@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCCC1 ZINC000849057255 633482198 /nfs/dbraw/zinc/48/21/98/633482198.db2.gz GDXMNANIRVPVME-MRXNPFEDSA-N 2 0 294.487 2.944 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849063716 633483010 /nfs/dbraw/zinc/48/30/10/633483010.db2.gz OVZSJKFDWSZOHN-CVEARBPZSA-N 2 0 294.487 2.897 20 0 CFADRP CCC1CCC(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000849066256 633483056 /nfs/dbraw/zinc/48/30/56/633483056.db2.gz LHZYJPCFTYGGBR-UYSNPLJNSA-N 2 0 294.487 2.801 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCCCCCC1 ZINC000849065656 633483248 /nfs/dbraw/zinc/48/32/48/633483248.db2.gz PICMFQRICMNPAI-INIZCTEOSA-N 2 0 294.487 2.945 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849107659 633485806 /nfs/dbraw/zinc/48/58/06/633485806.db2.gz IHEVALLWOLGAPV-OAHLLOKOSA-N 2 0 294.487 2.945 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C1CCCCC1 ZINC000849104768 633486072 /nfs/dbraw/zinc/48/60/72/633486072.db2.gz ZYMILZHTENGIAR-HRCADAONSA-N 2 0 292.471 2.553 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCC1 ZINC000849108497 633486795 /nfs/dbraw/zinc/48/67/95/633486795.db2.gz PGWQSXWROHOUMO-AWEZNQCLSA-N 2 0 282.476 2.799 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCO1 ZINC000849350808 633625837 /nfs/dbraw/zinc/62/58/37/633625837.db2.gz XEYWPYGAEZGMHN-CGTJXYLNSA-N 2 0 294.483 2.903 20 0 CFADRP C([NH2+][C@H]1CC[C@@H]1C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC000850581243 634060831 /nfs/dbraw/zinc/06/08/31/634060831.db2.gz DXBOZMFBFZMYJS-SJORKVTESA-N 2 0 262.441 2.887 20 0 CFADRP COc1ccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000853232061 634946800 /nfs/dbraw/zinc/94/68/00/634946800.db2.gz QSWXLWZHDLWYRB-LBPRGKRZSA-N 2 0 283.375 2.892 20 0 CFADRP CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000853248777 634951466 /nfs/dbraw/zinc/95/14/66/634951466.db2.gz YYBSWOUVEPPYSW-OAHLLOKOSA-N 2 0 297.487 2.535 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CON=C(N)CC1CC1 ZINC000853673716 635069921 /nfs/dbraw/zinc/06/99/21/635069921.db2.gz XJSRCSCYQUEETO-ZDUSSCGKSA-N 2 0 253.390 2.548 20 0 CFADRP Cc1ncsc1C[N@H+](C)CCCCCCC[NH3+] ZINC000111671132 635133909 /nfs/dbraw/zinc/13/39/09/635133909.db2.gz XXVFNADMVGWNHQ-UHFFFAOYSA-N 2 0 255.431 2.793 20 0 CFADRP CC[C@@H]([NH2+]C)c1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000854137464 635226051 /nfs/dbraw/zinc/22/60/51/635226051.db2.gz XBOXGGNLCBWYNB-CQSZACIVSA-N 2 0 297.362 2.652 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221045 635261498 /nfs/dbraw/zinc/26/14/98/635261498.db2.gz FFHBMPLRNHJXSA-ZMYBRWDISA-N 2 0 298.430 2.851 20 0 CFADRP COCc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000854230093 635266021 /nfs/dbraw/zinc/26/60/21/635266021.db2.gz GUWFGLDZMUDSHO-XJKSGUPXSA-N 2 0 294.439 2.866 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925489370 635654677 /nfs/dbraw/zinc/65/46/77/635654677.db2.gz KLEJSMGOTJVGHE-GJZGRUSLSA-N 2 0 275.440 2.748 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925489369 635654724 /nfs/dbraw/zinc/65/47/24/635654724.db2.gz KLEJSMGOTJVGHE-CABCVRRESA-N 2 0 275.440 2.748 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857065225 635922738 /nfs/dbraw/zinc/92/27/38/635922738.db2.gz KSHYPCJFAKFUQL-FOGDFJRCSA-N 2 0 277.239 2.643 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857846228 636030797 /nfs/dbraw/zinc/03/07/97/636030797.db2.gz ADCUAZANZCQSQK-ZBFHGGJFSA-N 2 0 290.455 2.889 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](Cn2ccnc2)C(C)(C)C)CC1(C)C ZINC000858104720 636126467 /nfs/dbraw/zinc/12/64/67/636126467.db2.gz UTZJQBXJDXYBMX-LSDHHAIUSA-N 2 0 292.471 2.760 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCN2CCc3ccccc32)CC1(C)C ZINC000858118413 636133022 /nfs/dbraw/zinc/13/30/22/636133022.db2.gz ZNXYPPGQDUXPBL-MRXNPFEDSA-N 2 0 287.451 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)CC1(C)C ZINC000858125581 636134471 /nfs/dbraw/zinc/13/44/71/636134471.db2.gz GWRJJYTZRGBHCZ-LBPRGKRZSA-N 2 0 258.475 2.981 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNc2cc[nH+]c(CO)c2)c1 ZINC000858359534 636206240 /nfs/dbraw/zinc/20/62/40/636206240.db2.gz HIBQIVRFSADFDH-UHFFFAOYSA-N 2 0 285.391 2.638 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858359280 636206525 /nfs/dbraw/zinc/20/65/25/636206525.db2.gz DRNMSMJKVWMXAC-WMLDXEAASA-N 2 0 297.402 2.821 20 0 CFADRP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158847638 650238798 /nfs/dbraw/zinc/23/87/98/650238798.db2.gz KPTSJLFGAQOOFZ-SJLPKXTDSA-N 2 0 288.435 2.790 20 0 CFADRP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH+]c(CO)c1 ZINC000858469546 636257508 /nfs/dbraw/zinc/25/75/08/636257508.db2.gz VWKKCCTXCSJESH-CQSZACIVSA-N 2 0 285.391 2.506 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCO[C@H]2CC2(F)F)cc1 ZINC000859212120 636505199 /nfs/dbraw/zinc/50/51/99/636505199.db2.gz GBGDQJMOSMDKFJ-HNNXBMFYSA-N 2 0 298.377 2.604 20 0 CFADRP CCO[C@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000859213356 636507629 /nfs/dbraw/zinc/50/76/29/636507629.db2.gz MXKQHOVCONKGHL-GOSISDBHSA-N 2 0 290.451 2.995 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C/C=C\Cl)cc1 ZINC000859214559 636508080 /nfs/dbraw/zinc/50/80/80/636508080.db2.gz KEVIEFZTMDRJTF-WTKPLQERSA-N 2 0 252.789 2.933 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2cccs2)C1 ZINC000081570170 636794456 /nfs/dbraw/zinc/79/44/56/636794456.db2.gz JZKROIVYGPIZGS-CQSZACIVSA-N 2 0 266.454 2.954 20 0 CFADRP C[N@H+](CCc1cccs1)C[C@H]1CCC[NH+](C)C1 ZINC000118841225 637315031 /nfs/dbraw/zinc/31/50/31/637315031.db2.gz ZIMGOFKZMLMFNR-ZDUSSCGKSA-N 2 0 252.427 2.564 20 0 CFADRP C1=CO[C@@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000188574993 650337836 /nfs/dbraw/zinc/33/78/36/650337836.db2.gz NHNRTCISZNDUOR-MRXNPFEDSA-N 2 0 264.413 2.676 20 0 CFADRP C1CC2(C1)[NH2+]CC[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000863483075 637674778 /nfs/dbraw/zinc/67/47/78/637674778.db2.gz QEPPFIXTTWLKTC-QGZVFWFLSA-N 2 0 291.483 2.658 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@@H](N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863483705 637675664 /nfs/dbraw/zinc/67/56/64/637675664.db2.gz YJSVWHZELXCDKF-QZTJIDSGSA-N 2 0 299.462 2.525 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863539560 637688878 /nfs/dbraw/zinc/68/88/78/637688878.db2.gz FBAURODFALZTGR-AWEZNQCLSA-N 2 0 261.413 2.684 20 0 CFADRP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000863544417 637691091 /nfs/dbraw/zinc/69/10/91/637691091.db2.gz SYDKTFBAHHTNDS-IMJJTQAJSA-N 2 0 294.439 2.539 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863549113 637693569 /nfs/dbraw/zinc/69/35/69/637693569.db2.gz ZYMOANOIPINPNF-HIFRSBDPSA-N 2 0 282.815 2.671 20 0 CFADRP C[C@H]([NH3+])CN(C)CCCOc1ccc2ccccc2c1 ZINC000863567876 637697440 /nfs/dbraw/zinc/69/74/40/637697440.db2.gz GKKXMPBBHPORQI-AWEZNQCLSA-N 2 0 272.392 2.888 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCC3(C1)CC[NH2+]CC3)CO2 ZINC000863642180 637722586 /nfs/dbraw/zinc/72/25/86/637722586.db2.gz UVGNDWGKXOKOFV-UHFFFAOYSA-N 2 0 284.403 2.538 20 0 CFADRP C[C@@]1(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000863651913 637725804 /nfs/dbraw/zinc/72/58/04/637725804.db2.gz OZVNVYULNVQIAO-WNRNVDISSA-N 2 0 270.420 2.722 20 0 CFADRP C[NH2+]C[C@H](O)c1cccc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC000863692641 637747815 /nfs/dbraw/zinc/74/78/15/637747815.db2.gz YHLJNICPEFZBBS-SFHVURJKSA-N 2 0 284.403 2.668 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)cc1 ZINC000863691613 637747938 /nfs/dbraw/zinc/74/79/38/637747938.db2.gz JFMVSCHSESYACT-OALUTQOASA-N 2 0 296.414 2.811 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2cnn(CC3CC[NH2+]CC3)c2)cc1 ZINC000863713764 637754302 /nfs/dbraw/zinc/75/43/02/637754302.db2.gz SHBACYCBCXPNEC-CYBMUJFWSA-N 2 0 284.407 2.569 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C12CCC2 ZINC000864090279 637870784 /nfs/dbraw/zinc/87/07/84/637870784.db2.gz DVHGYGYPJYGDAZ-OLZOCXBDSA-N 2 0 299.340 2.807 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865398026 638308562 /nfs/dbraw/zinc/30/85/62/638308562.db2.gz PIFWHXIGCYYFML-AWEZNQCLSA-N 2 0 278.444 2.818 20 0 CFADRP Fc1cccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cnc12 ZINC000865411309 638319304 /nfs/dbraw/zinc/31/93/04/638319304.db2.gz ASZDZTYTTKVGMI-CYBMUJFWSA-N 2 0 299.393 2.948 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865461589 638351664 /nfs/dbraw/zinc/35/16/64/638351664.db2.gz ZVNFIUXCKWILCG-LLVKDONJSA-N 2 0 287.329 2.666 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccc(O)c2)CC1 ZINC000865714854 638530478 /nfs/dbraw/zinc/53/04/78/638530478.db2.gz DQMDTQDKDWGEGA-UHFFFAOYSA-N 2 0 276.424 2.992 20 0 CFADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)nc1 ZINC000865716931 638532397 /nfs/dbraw/zinc/53/23/97/638532397.db2.gz IMPCXWQXSCRMBD-UHFFFAOYSA-N 2 0 275.440 2.990 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1(C)C ZINC000865759966 638558618 /nfs/dbraw/zinc/55/86/18/638558618.db2.gz WJONQMGOHGUKSM-HRCADAONSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865967318 638680855 /nfs/dbraw/zinc/68/08/55/638680855.db2.gz AWWMMDXYZVRXGQ-LLVKDONJSA-N 2 0 287.329 2.666 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866217773 638772441 /nfs/dbraw/zinc/77/24/41/638772441.db2.gz HCAPXFDPHUEFPG-OAHLLOKOSA-N 2 0 275.440 2.867 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000866228470 638774918 /nfs/dbraw/zinc/77/49/18/638774918.db2.gz HPFXZDQBMNFUAH-DOTOQJQBSA-N 2 0 272.436 3.000 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000866237622 638777035 /nfs/dbraw/zinc/77/70/35/638777035.db2.gz IKLIQBONNQGCOK-JKSUJKDBSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000866238342 638777442 /nfs/dbraw/zinc/77/74/42/638777442.db2.gz PGFPQTJNSALJCC-HYVNUMGLSA-N 2 0 273.424 2.619 20 0 CFADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866362033 638803773 /nfs/dbraw/zinc/80/37/73/638803773.db2.gz YGQUPJNCLFKLAJ-CABCVRRESA-N 2 0 263.429 2.721 20 0 CFADRP CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866362035 638803983 /nfs/dbraw/zinc/80/39/83/638803983.db2.gz YGQUPJNCLFKLAJ-HUUCEWRRSA-N 2 0 263.429 2.721 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)ccc12 ZINC000866371983 638807903 /nfs/dbraw/zinc/80/79/03/638807903.db2.gz NIZAJSLEOAOIIP-DLBZAZTESA-N 2 0 285.391 2.772 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000866384778 638810987 /nfs/dbraw/zinc/81/09/87/638810987.db2.gz OUHDMSQILLHVLW-LZWOXQAQSA-N 2 0 261.413 2.709 20 0 CFADRP COCC[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467460 638826023 /nfs/dbraw/zinc/82/60/23/638826023.db2.gz IPAWYHBZKXHYPP-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)c1cnn(C)c1 ZINC000866467430 638826274 /nfs/dbraw/zinc/82/62/74/638826274.db2.gz HSJJAZPSTWPBAS-QGZVFWFLSA-N 2 0 292.471 2.971 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000866470175 638826691 /nfs/dbraw/zinc/82/66/91/638826691.db2.gz UFFCVOCIGYNIDU-HNNXBMFYSA-N 2 0 290.455 2.508 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516721 638834465 /nfs/dbraw/zinc/83/44/65/638834465.db2.gz SVPKUVUNRXULMI-GULBITTBSA-N 2 0 290.455 2.650 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000866518426 638834843 /nfs/dbraw/zinc/83/48/43/638834843.db2.gz ZNWBPKNXRPTYHT-BBBYJDLNSA-N 2 0 276.428 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCC23CCOCC3)CC1 ZINC000866527637 638835571 /nfs/dbraw/zinc/83/55/71/638835571.db2.gz LKMNYYVRAYORRE-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)[C@H](C)C1 ZINC000866542021 638839083 /nfs/dbraw/zinc/83/90/83/638839083.db2.gz DQKHFFHMNAVXBW-NEPJUHHUSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1C ZINC000866561795 638844849 /nfs/dbraw/zinc/84/48/49/638844849.db2.gz LGJMVARNKNMUSZ-RYRKJORJSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H](c1ccc(F)cc1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585648 638848903 /nfs/dbraw/zinc/84/89/03/638848903.db2.gz ZPJFOYRCPXHHSJ-INWMFGNUSA-N 2 0 262.372 2.913 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc1Cl ZINC000866659643 638861905 /nfs/dbraw/zinc/86/19/05/638861905.db2.gz QGIYHHLYWVPTPI-LLVKDONJSA-N 2 0 267.804 2.603 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)OC1 ZINC000866665187 638862625 /nfs/dbraw/zinc/86/26/25/638862625.db2.gz DUDGTNVOCIVUPQ-BRWVUGGUSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705706 638868238 /nfs/dbraw/zinc/86/82/38/638868238.db2.gz HNTOCQMSPNOLRF-OAHLLOKOSA-N 2 0 281.469 2.691 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705580 638868448 /nfs/dbraw/zinc/86/84/48/638868448.db2.gz CVRPWAABUVAHKI-MRXNPFEDSA-N 2 0 270.461 2.746 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704239 638868461 /nfs/dbraw/zinc/86/84/61/638868461.db2.gz RWJFHRNKVVAJAB-KGLIPLIRSA-N 2 0 256.459 2.581 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CCCC1 ZINC000866709518 638869559 /nfs/dbraw/zinc/86/95/59/638869559.db2.gz RRGWJGCZMMFTTH-WBVHZDCISA-N 2 0 282.472 2.889 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@H+](CCC[NH3+])CC1 ZINC000866717438 638870058 /nfs/dbraw/zinc/87/00/58/638870058.db2.gz FHYZKDBNFWGRSZ-AWEZNQCLSA-N 2 0 262.397 2.614 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](CC)CC)[C@H]1CCCOC1 ZINC000872017247 641548226 /nfs/dbraw/zinc/54/82/26/641548226.db2.gz XMJKTKWEXOQBBP-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)CC ZINC000872021900 641552695 /nfs/dbraw/zinc/55/26/95/641552695.db2.gz FUKGYFRENCXFAL-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@H](CN[C@@H](C)c1cccc(O)c1F)C[NH+]1CCCC1 ZINC000872025885 641557043 /nfs/dbraw/zinc/55/70/43/641557043.db2.gz VIOMLRBEQZUSJS-STQMWFEESA-N 2 0 280.387 2.914 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872063543 641595169 /nfs/dbraw/zinc/59/51/69/641595169.db2.gz XFPAYVHAQIEVCZ-CYBMUJFWSA-N 2 0 298.402 2.540 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000872068036 641599659 /nfs/dbraw/zinc/59/96/59/641599659.db2.gz UXPHZLXIQIHUJV-MRXNPFEDSA-N 2 0 292.467 2.942 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H](O)c2ccccc2)CC1 ZINC000872134464 641662643 /nfs/dbraw/zinc/66/26/43/641662643.db2.gz BZHCZWVXKDGHFI-MSOLQXFVSA-N 2 0 290.451 2.963 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872143817 641670020 /nfs/dbraw/zinc/67/00/20/641670020.db2.gz RDWUSYQXXGGCQY-JTQLQIEISA-N 2 0 276.302 2.859 20 0 CFADRP Clc1ncsc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142980 641670245 /nfs/dbraw/zinc/67/02/45/641670245.db2.gz IDQWATLSHHBIDL-WDEREUQCSA-N 2 0 285.844 2.618 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000872143414 641670598 /nfs/dbraw/zinc/67/05/98/641670598.db2.gz RXMSJXJXLMJDGT-PMPSAXMXSA-N 2 0 280.456 2.513 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000872145275 641672466 /nfs/dbraw/zinc/67/24/66/641672466.db2.gz QZZQCSJWDQEZHK-IAGOWNOFSA-N 2 0 292.467 2.657 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146115 641673611 /nfs/dbraw/zinc/67/36/11/641673611.db2.gz GAVPXVZPGTWPAW-GJZGRUSLSA-N 2 0 290.455 2.712 20 0 CFADRP Cc1csc([C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000872147075 641674082 /nfs/dbraw/zinc/67/40/82/641674082.db2.gz CUHKKTDFVZUEAG-CQSZACIVSA-N 2 0 279.453 2.631 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872158277 641678553 /nfs/dbraw/zinc/67/85/53/641678553.db2.gz UPLOKHVLNCRJQO-SOLBZPMBSA-N 3 0 293.499 2.606 20 0 CFADRP Cn1cc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158437 641678830 /nfs/dbraw/zinc/67/88/30/641678830.db2.gz VEASIPOZMLOUPD-WMLDXEAASA-N 2 0 290.455 2.540 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000872227216 641709670 /nfs/dbraw/zinc/70/96/70/641709670.db2.gz BJAVKPKPZZUBKZ-BLDCVEFLSA-N 2 0 294.414 2.712 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](OC3CCC3)CC2)CC[NH2+]1 ZINC000872255298 641719646 /nfs/dbraw/zinc/71/96/46/641719646.db2.gz AVMMLIUWOHQNJF-VYDXJSESSA-N 2 0 280.456 2.798 20 0 CFADRP c1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(C2CC2)c[nH+]1 ZINC000872440872 641811633 /nfs/dbraw/zinc/81/16/33/641811633.db2.gz ALPUYRUNOBZIOC-AWEZNQCLSA-N 2 0 257.381 2.634 20 0 CFADRP CN(CCC[NH+]1CCCC1)c1cc[nH+]cc1C1CC1 ZINC000872530542 641845572 /nfs/dbraw/zinc/84/55/72/641845572.db2.gz DUZDTCFBRICVNB-UHFFFAOYSA-N 2 0 259.397 2.881 20 0 CFADRP CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211342 642068500 /nfs/dbraw/zinc/06/85/00/642068500.db2.gz ZBEVVJPJUSSXLT-INIZCTEOSA-N 2 0 294.464 2.521 20 0 CFADRP c1c(CN2CC[NH2+]Cc3ccccc32)sc2c1C[NH2+]CC2 ZINC000873210264 642068544 /nfs/dbraw/zinc/06/85/44/642068544.db2.gz ALQCGYUPDPBKLR-UHFFFAOYSA-N 2 0 299.443 2.504 20 0 CFADRP FC1(F)C[C@@]12CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873213798 642069752 /nfs/dbraw/zinc/06/97/52/642069752.db2.gz PUMGTKXIEYANDJ-CYBMUJFWSA-N 2 0 284.375 2.625 20 0 CFADRP C[C@@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccn1 ZINC000873213533 642070296 /nfs/dbraw/zinc/07/02/96/642070296.db2.gz GRJDYMGEGRGUIN-LBPRGKRZSA-N 2 0 287.432 2.682 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000873219995 642072512 /nfs/dbraw/zinc/07/25/12/642072512.db2.gz FHCIAYDJQLVTDV-KCXAZCMYSA-N 2 0 250.430 2.933 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C2 ZINC000873219805 642072846 /nfs/dbraw/zinc/07/28/46/642072846.db2.gz GADCNXGWMXFCJR-BBRMVZONSA-N 2 0 288.435 2.530 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1F ZINC000873219713 642072908 /nfs/dbraw/zinc/07/29/08/642072908.db2.gz FNSMDFBVRRRLHT-GFCCVEGCSA-N 2 0 280.387 2.702 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C2 ZINC000873219809 642073262 /nfs/dbraw/zinc/07/32/62/642073262.db2.gz GADCNXGWMXFCJR-CZUORRHYSA-N 2 0 288.435 2.530 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2cnccc2c1)C1CC[NH2+]CC1 ZINC000873220687 642073859 /nfs/dbraw/zinc/07/38/59/642073859.db2.gz RGZPVLGQFYXVNF-ZDUSSCGKSA-N 2 0 269.392 2.713 20 0 CFADRP CC(C)c1cnc(C[NH2+][C@H](C)C2CC[NH2+]CC2)s1 ZINC000873221484 642074035 /nfs/dbraw/zinc/07/40/35/642074035.db2.gz SWUTYTVPRFZHPG-LLVKDONJSA-N 2 0 267.442 2.744 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000873221031 642074289 /nfs/dbraw/zinc/07/42/89/642074289.db2.gz XWEHAXRQFGMBDA-SNVBAGLBSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000873222139 642075170 /nfs/dbraw/zinc/07/51/70/642075170.db2.gz BGKKSNFZAYECMD-AWEZNQCLSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ncsc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873224204 642077970 /nfs/dbraw/zinc/07/79/70/642077970.db2.gz XNLOWMGSUKOSDH-CQSZACIVSA-N 2 0 267.442 2.648 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000873227697 642079360 /nfs/dbraw/zinc/07/93/60/642079360.db2.gz MROIKJUFBBEQLN-ZQIUZPCESA-N 2 0 292.398 2.667 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc2cccnc12 ZINC000873228662 642079750 /nfs/dbraw/zinc/07/97/50/642079750.db2.gz HZECFGZCNOQXGU-FUHWJXTLSA-N 2 0 281.403 2.585 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)ccc2n1 ZINC000873229351 642081480 /nfs/dbraw/zinc/08/14/80/642081480.db2.gz UYIRXUIXSRFLDD-FUHWJXTLSA-N 2 0 281.403 2.585 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cc(-n2ccnc2)cs1 ZINC000873231695 642085589 /nfs/dbraw/zinc/08/55/89/642085589.db2.gz UIFQDPDRTPNOFK-UHFFFAOYSA-N 2 0 292.452 2.885 20 0 CFADRP CC(C)N(C)c1ccc(C[N@H+](C)CCCCCC[NH3+])cn1 ZINC000873231356 642085779 /nfs/dbraw/zinc/08/57/79/642085779.db2.gz HAASZOKXUIKKII-UHFFFAOYSA-N 2 0 292.471 2.877 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])c[nH]c2cc1F ZINC000873247563 642094056 /nfs/dbraw/zinc/09/40/56/642094056.db2.gz PLVGDEHHJOYLLW-BLLLJJGKSA-N 2 0 289.398 2.875 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c[nH]c2cc1F ZINC000873248117 642094048 /nfs/dbraw/zinc/09/40/48/642094048.db2.gz ZYBHQJQIOOJWJI-RYUDHWBXSA-N 2 0 277.387 2.873 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c[nH]c2cc1F ZINC000873248118 642094895 /nfs/dbraw/zinc/09/48/95/642094895.db2.gz ZYBHQJQIOOJWJI-VXGBXAGGSA-N 2 0 277.387 2.873 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1OC ZINC000873248582 642095231 /nfs/dbraw/zinc/09/52/31/642095231.db2.gz GRSBBMKQRSLZGJ-BZPMIXESSA-N 2 0 280.412 2.870 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248712 642095452 /nfs/dbraw/zinc/09/54/52/642095452.db2.gz FAZHSDCKVVAQNS-PQEBFOHHSA-N 2 0 258.409 2.824 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000873248840 642095769 /nfs/dbraw/zinc/09/57/69/642095769.db2.gz FGGGZMZUZMGYMX-XRGAULLZSA-N 2 0 274.408 2.559 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000873250935 642096319 /nfs/dbraw/zinc/09/63/19/642096319.db2.gz SBNOSCAWFPXASP-MWDXBVQZSA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000873250469 642096987 /nfs/dbraw/zinc/09/69/87/642096987.db2.gz GAEWUAPAVWYHRC-NOZJJQNGSA-N 2 0 288.313 2.644 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CCS2 ZINC000873250330 642097139 /nfs/dbraw/zinc/09/71/39/642097139.db2.gz PAKXVZUQGLNBKT-WDMOLILDSA-N 2 0 278.421 2.559 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000873251413 642098058 /nfs/dbraw/zinc/09/80/58/642098058.db2.gz MONJODFCAIGMOI-JBLDHEPKSA-N 2 0 250.411 2.625 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873251144 642098206 /nfs/dbraw/zinc/09/82/06/642098206.db2.gz JJYQXIYFIPQDDA-XQHKEYJVSA-N 2 0 276.346 2.848 20 0 CFADRP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000873252600 642098963 /nfs/dbraw/zinc/09/89/63/642098963.db2.gz SYZLAAWJMJDKLS-GARJFASQSA-N 2 0 253.415 2.654 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000873252819 642099016 /nfs/dbraw/zinc/09/90/16/642099016.db2.gz VYXCJMGIZWMYQM-SCDSUCTJSA-N 2 0 280.799 2.881 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873253433 642099117 /nfs/dbraw/zinc/09/91/17/642099117.db2.gz XNMKGRDVDHOOTB-QNWHQSFQSA-N 2 0 276.346 2.991 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255185 642101144 /nfs/dbraw/zinc/10/11/44/642101144.db2.gz CWFFALNBFPODNF-VGWMRTNUSA-N 2 0 273.424 2.743 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000873255824 642101661 /nfs/dbraw/zinc/10/16/61/642101661.db2.gz ISBPCIQADNZLLA-TUUVXOQKSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000873257184 642102445 /nfs/dbraw/zinc/10/24/45/642102445.db2.gz FIBZHNOSQLAFLA-CKYFFXLPSA-N 2 0 288.313 2.973 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000873256504 642102844 /nfs/dbraw/zinc/10/28/44/642102844.db2.gz NHTZZNSJXIGGAH-QVHKTLOISA-N 2 0 292.423 2.523 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000873258837 642103515 /nfs/dbraw/zinc/10/35/15/642103515.db2.gz WHIVXGMELQEQJK-WBIUFABUSA-N 2 0 268.351 2.989 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000873259195 642104223 /nfs/dbraw/zinc/10/42/23/642104223.db2.gz ZJBMZYUEGNELGN-RVMXOQNASA-N 2 0 250.411 2.929 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873260029 642104444 /nfs/dbraw/zinc/10/44/44/642104444.db2.gz QXZCTIANKKBQCV-MJXUCMMTSA-N 2 0 286.419 2.803 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1sccc1Br ZINC000873259159 642104465 /nfs/dbraw/zinc/10/44/65/642104465.db2.gz YIEXZSLNHVLHLK-IWSPIJDZSA-N 2 0 289.242 2.899 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cn1 ZINC000873260683 642105392 /nfs/dbraw/zinc/10/53/92/642105392.db2.gz FPYRJYGUEVELLG-MHDGFBEUSA-N 2 0 279.815 2.916 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262934 642106390 /nfs/dbraw/zinc/10/63/90/642106390.db2.gz DRMVOTQEXWMRLG-WISYIIOYSA-N 2 0 264.335 2.838 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)C1CC[NH2+]CC1 ZINC000873264320 642108055 /nfs/dbraw/zinc/10/80/55/642108055.db2.gz DDSMCFTYOVYRKM-LSDHHAIUSA-N 2 0 298.434 2.911 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000873264740 642108373 /nfs/dbraw/zinc/10/83/73/642108373.db2.gz QVWSZGITFJOXMP-QRJUGERDSA-N 2 0 280.456 2.699 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873266719 642110590 /nfs/dbraw/zinc/11/05/90/642110590.db2.gz POUAQTUEXWCOLR-MANSERQUSA-N 2 0 299.462 2.683 20 0 CFADRP C[C@@H]([NH2+][C@H](c1cncc(F)c1)C1CC1)C1CC[NH2+]CC1 ZINC000873268261 642110816 /nfs/dbraw/zinc/11/08/16/642110816.db2.gz BDTBFUXPCFPMGQ-BZNIZROVSA-N 2 0 277.387 2.650 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CCC2 ZINC000873268379 642111167 /nfs/dbraw/zinc/11/11/67/642111167.db2.gz VXFUKWUBGYLULI-ZWNOBZJWSA-N 2 0 279.453 2.807 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873269938 642111740 /nfs/dbraw/zinc/11/17/40/642111740.db2.gz MSEYUDZHMQRADL-GHMZBOCLSA-N 2 0 297.830 2.782 20 0 CFADRP C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271045 642112527 /nfs/dbraw/zinc/11/25/27/642112527.db2.gz DDXYZUOGUCRNDX-GDZNZVCISA-N 2 0 258.409 2.898 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)C1CC[NH2+]CC1 ZINC000873271943 642113594 /nfs/dbraw/zinc/11/35/94/642113594.db2.gz MTUQKNCBWXIZAY-ZUZCIYMTSA-N 2 0 280.362 2.930 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1noc2cc(F)ccc21 ZINC000873274100 642114509 /nfs/dbraw/zinc/11/45/09/642114509.db2.gz ABFWUQDTHQJNMI-JTQLQIEISA-N 2 0 265.332 2.574 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873281388 642117124 /nfs/dbraw/zinc/11/71/24/642117124.db2.gz IJVCSGODIOFQJQ-CMURFVSUSA-N 2 0 292.467 2.844 20 0 CFADRP CC[C@@H](NCc1cccc2ncccc12)[C@@H]1CCC[NH2+]1 ZINC000873283782 642117844 /nfs/dbraw/zinc/11/78/44/642117844.db2.gz KDFUXPBSOQXGMG-WBVHZDCISA-N 2 0 269.392 2.855 20 0 CFADRP c1cnc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000873284598 642118792 /nfs/dbraw/zinc/11/87/92/642118792.db2.gz UHAFOFCOUHSUEH-VNQPRFMTSA-N 2 0 281.403 2.713 20 0 CFADRP c1cnc2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000873284596 642119172 /nfs/dbraw/zinc/11/91/72/642119172.db2.gz UHAFOFCOUHSUEH-FVQBIDKESA-N 2 0 281.403 2.713 20 0 CFADRP c1cnc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000873284597 642119432 /nfs/dbraw/zinc/11/94/32/642119432.db2.gz UHAFOFCOUHSUEH-NUEKZKHPSA-N 2 0 281.403 2.713 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000873289324 642121839 /nfs/dbraw/zinc/12/18/39/642121839.db2.gz HIAMOFQZFYORAJ-GVDBMIGSSA-N 2 0 291.414 2.808 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873289646 642122075 /nfs/dbraw/zinc/12/20/75/642122075.db2.gz KCZQHSXQETYCHK-GXTWGEPZSA-N 2 0 280.437 2.557 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289499 642122182 /nfs/dbraw/zinc/12/21/82/642122182.db2.gz ITSABCQHQYXJQC-KBPBESRZSA-N 2 0 294.464 2.866 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873290782 642123024 /nfs/dbraw/zinc/12/30/24/642123024.db2.gz RZQVEHREGUJEBJ-CHWSQXEVSA-N 2 0 280.437 2.557 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873290605 642123043 /nfs/dbraw/zinc/12/30/43/642123043.db2.gz AROMTBGZYAYRQO-CABCVRRESA-N 2 0 294.464 2.948 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290039 642123094 /nfs/dbraw/zinc/12/30/94/642123094.db2.gz NMGUMSDVGQNKRX-CVEARBPZSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000873290002 642123176 /nfs/dbraw/zinc/12/31/76/642123176.db2.gz MXIRWFIDCWODDI-ZBFHGGJFSA-N 2 0 280.456 2.704 20 0 CFADRP C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290876 642123243 /nfs/dbraw/zinc/12/32/43/642123243.db2.gz BKXWPRXYYMMTPF-HZPDHXFCSA-N 2 0 292.467 2.848 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c(C)o1 ZINC000873291928 642123988 /nfs/dbraw/zinc/12/39/88/642123988.db2.gz OBDGSVXPNJLIGE-ZFWWWQNUSA-N 2 0 292.423 2.706 20 0 CFADRP C([NH2+][C@@H](C1CC1)C1CCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292029 642124112 /nfs/dbraw/zinc/12/41/12/642124112.db2.gz KSYYHMBPNMMTHW-DLBZAZTESA-N 2 0 292.467 2.704 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1C ZINC000873293786 642124611 /nfs/dbraw/zinc/12/46/11/642124611.db2.gz PFUQZJFOWCUUIL-QXSJWSMHSA-N 2 0 280.456 2.559 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000873293492 642124691 /nfs/dbraw/zinc/12/46/91/642124691.db2.gz KWYITTFTMCIAMD-JKSUJKDBSA-N 2 0 280.456 2.704 20 0 CFADRP CCCCCC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020520382 642423468 /nfs/dbraw/zinc/42/34/68/642423468.db2.gz CHEOTGYCIZNZGU-INIZCTEOSA-N 2 0 283.504 2.961 20 0 CFADRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000083052966 650758750 /nfs/dbraw/zinc/75/87/50/650758750.db2.gz SMOHVKGTMMDDER-UHFFFAOYSA-N 2 0 276.428 2.762 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000876992475 643096246 /nfs/dbraw/zinc/09/62/46/643096246.db2.gz VZJYVRWCDLRPCQ-VBHSOAQHSA-N 2 0 278.377 2.639 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877020071 643106207 /nfs/dbraw/zinc/10/62/07/643106207.db2.gz KDYKMEVMOJOUKJ-NWDGAFQWSA-N 2 0 279.255 2.890 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000877027324 643110173 /nfs/dbraw/zinc/11/01/73/643110173.db2.gz MWCKAPMYPLERGD-KRWDZBQOSA-N 2 0 260.425 2.777 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000877073610 643136078 /nfs/dbraw/zinc/13/60/78/643136078.db2.gz OGTUALNGBXPTSQ-SQNIBIBYSA-N 2 0 290.451 2.707 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(Cl)nn1 ZINC000877142738 643175468 /nfs/dbraw/zinc/17/54/68/643175468.db2.gz VCWQXPYMBSHGHG-LBPRGKRZSA-N 2 0 284.835 2.730 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000089145461 650828184 /nfs/dbraw/zinc/82/81/84/650828184.db2.gz CXPLMJOASMEUKU-CFVMTHIKSA-N 2 0 292.423 2.872 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000877479416 643295925 /nfs/dbraw/zinc/29/59/25/643295925.db2.gz UIEZVDZSIDUALE-CMPLNLGQSA-N 2 0 277.239 2.787 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000877481303 643298152 /nfs/dbraw/zinc/29/81/52/643298152.db2.gz CEZMLCZDODDJOV-NSHDSACASA-N 2 0 277.239 2.644 20 0 CFADRP CCC[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497072 643309554 /nfs/dbraw/zinc/30/95/54/643309554.db2.gz DOSNRDMIQPBUJG-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497303 643310079 /nfs/dbraw/zinc/31/00/79/643310079.db2.gz MTPFDCYWMNBDPE-HOTGVXAUSA-N 2 0 282.472 2.855 20 0 CFADRP CO[C@@](C)(C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000877525113 643329573 /nfs/dbraw/zinc/32/95/73/643329573.db2.gz REROHEGSLKDQBK-SFHVURJKSA-N 2 0 290.451 2.995 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CC2(Cl)Cl)CC[NH+](C)CC1 ZINC000877539013 643341020 /nfs/dbraw/zinc/34/10/20/643341020.db2.gz ITQWMHWHNQKFHK-SNVBAGLBSA-N 2 0 297.295 2.597 20 0 CFADRP CCC[C@@H](C)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877663857 643440528 /nfs/dbraw/zinc/44/05/28/643440528.db2.gz BXCKGMNVIXTLOR-OAHLLOKOSA-N 2 0 270.461 2.713 20 0 CFADRP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000877664656 643441189 /nfs/dbraw/zinc/44/11/89/643441189.db2.gz SUSIVZOXTAXYDN-KURKYZTESA-N 2 0 294.483 2.713 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccnc(F)c1)CC2 ZINC000877683788 643452183 /nfs/dbraw/zinc/45/21/83/643452183.db2.gz IQJAGBNRIIBWRK-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684362 643453435 /nfs/dbraw/zinc/45/34/35/643453435.db2.gz NPBUUVWYJNJEGG-HZPDHXFCSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877685063 643454308 /nfs/dbraw/zinc/45/43/08/643454308.db2.gz JXNBEGGUYMLWDW-UHFFFAOYSA-N 2 0 277.412 2.599 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@]12C[C@H]1CCCC2 ZINC000877686820 643455864 /nfs/dbraw/zinc/45/58/64/643455864.db2.gz YYYAMZVXEDQFBT-DAYGRLMNSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000877698478 643460939 /nfs/dbraw/zinc/46/09/39/643460939.db2.gz XJGJCPBIZCXKOE-IRXDYDNUSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718486 643482883 /nfs/dbraw/zinc/48/28/83/643482883.db2.gz KEMHEGJGUVHUSG-JKSUJKDBSA-N 2 0 272.436 2.896 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000877737456 643498214 /nfs/dbraw/zinc/49/82/14/643498214.db2.gz GHIYTJXIHOUWDL-KFKAGJAMSA-N 2 0 284.447 2.818 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000877739894 643505156 /nfs/dbraw/zinc/50/51/56/643505156.db2.gz IAVGBKKOYGNZNV-ZBFHGGJFSA-N 2 0 278.827 2.909 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000877739891 643506654 /nfs/dbraw/zinc/50/66/54/643506654.db2.gz IAVGBKKOYGNZNV-HOCLYGCPSA-N 2 0 278.827 2.909 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000877743065 643517211 /nfs/dbraw/zinc/51/72/11/643517211.db2.gz TVAOSTCOVJTFKJ-ZHALLVOQSA-N 2 0 299.462 2.539 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000877744054 643519594 /nfs/dbraw/zinc/51/95/94/643519594.db2.gz OJFOWBSSFAVZPQ-GDBMZVCRSA-N 2 0 269.392 2.694 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000877743582 643520968 /nfs/dbraw/zinc/52/09/68/643520968.db2.gz WXMHGLBMVIVFLF-SJLPKXTDSA-N 2 0 281.403 2.761 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000877744057 643522873 /nfs/dbraw/zinc/52/28/73/643522873.db2.gz OJFOWBSSFAVZPQ-ZBFHGGJFSA-N 2 0 269.392 2.694 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746784 643525646 /nfs/dbraw/zinc/52/56/46/643525646.db2.gz XBHBLTRWRCKSFP-DLBZAZTESA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)C[N@@H+](Cc1ccncc1)CC1CC[NH+](C)CC1 ZINC000877767182 643546746 /nfs/dbraw/zinc/54/67/46/643546746.db2.gz BLSNEOJJSYCBJR-UHFFFAOYSA-N 2 0 275.440 2.881 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000877794264 643559609 /nfs/dbraw/zinc/55/96/09/643559609.db2.gz INANJVACBPCTMF-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP COCC(C)(C)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000877804876 643567169 /nfs/dbraw/zinc/56/71/69/643567169.db2.gz DOQIEZFMVNSNEH-UHFFFAOYSA-N 2 0 291.439 2.703 20 0 CFADRP C(C1CC2(CCC2)C1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877970618 643671865 /nfs/dbraw/zinc/67/18/65/643671865.db2.gz QCDLWSAZPWZGEJ-UHFFFAOYSA-N 2 0 292.467 2.611 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCC2CC2)CC1 ZINC000878020714 643695646 /nfs/dbraw/zinc/69/56/46/643695646.db2.gz PHJZQOBQDQGRNK-IRXDYDNUSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCOC(F)(F)F)CC1 ZINC000878035077 643705570 /nfs/dbraw/zinc/70/55/70/643705570.db2.gz XVQVBMBOYVIYNK-UHFFFAOYSA-N 2 0 282.350 2.718 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878104752 643736964 /nfs/dbraw/zinc/73/69/64/643736964.db2.gz OSRPGFPWFDYPKW-OLZOCXBDSA-N 2 0 260.372 2.695 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878148227 643759431 /nfs/dbraw/zinc/75/94/31/643759431.db2.gz MSIIZTHQKTZYLP-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(F)(F)F)C[C@H]1C ZINC000878163149 643768783 /nfs/dbraw/zinc/76/87/83/643768783.db2.gz OAZIWQYBJDOMCP-NEPJUHHUSA-N 2 0 282.350 2.718 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC000878167013 643773840 /nfs/dbraw/zinc/77/38/40/643773840.db2.gz MAOMTGATYRZTNT-AWEZNQCLSA-N 2 0 250.430 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCC(C)(C)O2)[C@@H](C)C1 ZINC000878258862 643810713 /nfs/dbraw/zinc/81/07/13/643810713.db2.gz WEHAOOJFWBTFCS-XHSDSOJGSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC(C)(C)O2)[C@H](C)C1 ZINC000878258861 643810992 /nfs/dbraw/zinc/81/09/92/643810992.db2.gz WEHAOOJFWBTFCS-PMPSAXMXSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(F)(F)F)[C@@H](C)C1 ZINC000878258662 643811541 /nfs/dbraw/zinc/81/15/41/643811541.db2.gz TUKYTROETZWXDM-RYUDHWBXSA-N 2 0 282.350 2.575 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@@H](C)C1 ZINC000878259138 643812958 /nfs/dbraw/zinc/81/29/58/643812958.db2.gz ZRROVZUKDKTXRJ-WOYTXXSLSA-N 2 0 280.456 2.606 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000878512042 643922753 /nfs/dbraw/zinc/92/27/53/643922753.db2.gz JPCAPNQJHREXCV-HNNXBMFYSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878645887 643972768 /nfs/dbraw/zinc/97/27/68/643972768.db2.gz SESAARRHGWXMRZ-YOEHRIQHSA-N 2 0 280.456 2.608 20 0 CFADRP C=C/C=C\CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000878655758 643978514 /nfs/dbraw/zinc/97/85/14/643978514.db2.gz YRMDBHJYKKYWSX-UOXFBRONSA-N 2 0 278.440 2.692 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCC(C)(C)CO1)C2 ZINC000878663138 643981845 /nfs/dbraw/zinc/98/18/45/643981845.db2.gz WAQNJKKRWFUULR-WBVHZDCISA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000878864370 644054410 /nfs/dbraw/zinc/05/44/10/644054410.db2.gz ZKNKZZSHJOUYKP-GFCCVEGCSA-N 2 0 291.266 2.988 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCC(C)(C)O1)CC2 ZINC000879249870 644195010 /nfs/dbraw/zinc/19/50/10/644195010.db2.gz DHXNYEIODKCGSB-HNNXBMFYSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC000879250558 644195099 /nfs/dbraw/zinc/19/50/99/644195099.db2.gz WASWMJMCCBFALF-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCC[C@H]1CCOC1)CC2 ZINC000879251544 644196110 /nfs/dbraw/zinc/19/61/10/644196110.db2.gz XXMPHDXGUDCVPH-INIZCTEOSA-N 2 0 280.456 2.611 20 0 CFADRP Cc1cccc(CC[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879251314 644196167 /nfs/dbraw/zinc/19/61/67/644196167.db2.gz TWRYLTZNAAGQTE-UHFFFAOYSA-N 2 0 287.451 2.740 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCCO)[C@@H](C)C1 ZINC000247281912 650902157 /nfs/dbraw/zinc/90/21/57/650902157.db2.gz XNEYUNMBSACYKX-JKSUJKDBSA-N 2 0 270.461 2.591 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879572676 644329859 /nfs/dbraw/zinc/32/98/59/644329859.db2.gz IWZIVPWOBKCXRS-ZWKOTPCHSA-N 2 0 272.436 2.818 20 0 CFADRP Cc1ccccc1CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879576057 644332377 /nfs/dbraw/zinc/33/23/77/644332377.db2.gz PDLQRFKBLHLDGP-MSOLQXFVSA-N 2 0 272.436 2.954 20 0 CFADRP C[NH+]1CCN(C2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC000879597182 644344727 /nfs/dbraw/zinc/34/47/27/644344727.db2.gz XXHUOCDBFIVQGY-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)C[N@H+](C[C@H]1CC[C@H](C)O1)CC1CC[NH+](C)CC1 ZINC000879703770 644389311 /nfs/dbraw/zinc/38/93/11/644389311.db2.gz WYBMTTMLNYCDOQ-DOTOQJQBSA-N 2 0 282.472 2.854 20 0 CFADRP Cc1ccnc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879702969 644389623 /nfs/dbraw/zinc/38/96/23/644389623.db2.gz AOXXPUBDLNJBHK-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002463 644493505 /nfs/dbraw/zinc/49/35/05/644493505.db2.gz KWUCBMFQAHMKKS-NEPJUHHUSA-N 2 0 264.335 2.745 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cccs3)CC[C@H]21 ZINC000248179173 650925877 /nfs/dbraw/zinc/92/58/77/650925877.db2.gz WCOVJSFIXRZRTM-UKRRQHHQSA-N 2 0 264.438 2.707 20 0 CFADRP FC[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000880236912 644598921 /nfs/dbraw/zinc/59/89/21/644598921.db2.gz LSFXSUQYJJRQEV-GJZGRUSLSA-N 2 0 274.399 2.740 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000093210279 650935367 /nfs/dbraw/zinc/93/53/67/650935367.db2.gz ACKIPSXMRAMNIL-VXGBXAGGSA-N 2 0 270.323 2.648 20 0 CFADRP C[C@@H](CC[NH+]1CCC(F)CC1)[NH+]1CCC(F)CC1 ZINC000880240702 644604098 /nfs/dbraw/zinc/60/40/98/644604098.db2.gz JHAOBYNOLOFGSV-LBPRGKRZSA-N 2 0 260.372 2.633 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000880255137 644614847 /nfs/dbraw/zinc/61/48/47/644614847.db2.gz BLARLLQEIRLNHV-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@@H]1C[N@H+](CC2=CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259363 644617092 /nfs/dbraw/zinc/61/70/92/644617092.db2.gz RBHRYTYUWPIJAX-CQSZACIVSA-N 2 0 257.381 2.702 20 0 CFADRP C[C@H]1C[N@H+](CCCOC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880263014 644619098 /nfs/dbraw/zinc/61/90/98/644619098.db2.gz VUTUEKDPVGGMSG-HNNXBMFYSA-N 2 0 291.439 2.797 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000248587245 650939586 /nfs/dbraw/zinc/93/95/86/650939586.db2.gz YDVXYHBHGQPVPH-WMLDXEAASA-N 2 0 290.451 2.734 20 0 CFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000093452632 650940152 /nfs/dbraw/zinc/94/01/52/650940152.db2.gz CDIKIBCXPOVYEL-WCXIOVBPSA-N 2 0 286.419 2.500 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000093515522 650941566 /nfs/dbraw/zinc/94/15/66/650941566.db2.gz WPLLASUCHGRDPD-GDBMZVCRSA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1 ZINC000880372106 644673214 /nfs/dbraw/zinc/67/32/14/644673214.db2.gz SFUDCVUUNDXYEE-QZTJIDSGSA-N 2 0 290.451 2.699 20 0 CFADRP CO[C@@H](CC(C)C)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474150 644727752 /nfs/dbraw/zinc/72/77/52/644727752.db2.gz FBQJVOZRNTYZGP-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000094950172 650966002 /nfs/dbraw/zinc/96/60/02/650966002.db2.gz NMMVQEFRBKVYMK-CZUORRHYSA-N 2 0 264.388 2.797 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000129047059 645005607 /nfs/dbraw/zinc/00/56/07/645005607.db2.gz CAJQYCFNHKIXLG-DGCLKSJQSA-N 2 0 266.360 2.627 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250666517 650977703 /nfs/dbraw/zinc/97/77/03/650977703.db2.gz ZWKOBRHWEIZJKO-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000250837348 650980985 /nfs/dbraw/zinc/98/09/85/650980985.db2.gz CDIKIBCXPOVYEL-LTIDMASMSA-N 2 0 286.419 2.500 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000129223428 645124753 /nfs/dbraw/zinc/12/47/53/645124753.db2.gz YBSCPNXFXVKDSK-UHFFFAOYSA-N 2 0 270.364 2.703 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CCCC[C@H]2C[NH3+])([NH+](C)C)C1 ZINC000251698728 650992619 /nfs/dbraw/zinc/99/26/19/650992619.db2.gz HOLGCTLYJRPIIG-TWMKSMIVSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131039138 645610565 /nfs/dbraw/zinc/61/05/65/645610565.db2.gz PJXHIHXFUCCTBR-STQMWFEESA-N 2 0 258.365 2.992 20 0 CFADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000252909743 651028744 /nfs/dbraw/zinc/02/87/44/651028744.db2.gz AXZAAUWIZXTRRS-IGQOVBAYSA-N 2 0 256.459 2.638 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)N1CC[NH+](C)CC1 ZINC000883169746 645637168 /nfs/dbraw/zinc/63/71/68/645637168.db2.gz CEKHJBJTUIIHMA-IAGOWNOFSA-N 2 0 293.499 2.571 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCSC2)CC1 ZINC000131150566 645637460 /nfs/dbraw/zinc/63/74/60/645637460.db2.gz HISXFCHDZJYBCY-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP OC1CC[NH+](Cc2ccccc2C[NH2+]C2CCCC2)CC1 ZINC000304708465 651029968 /nfs/dbraw/zinc/02/99/68/651029968.db2.gz KMWZJMYRTHGPTN-UHFFFAOYSA-N 2 0 288.435 2.676 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883186257 645649361 /nfs/dbraw/zinc/64/93/61/645649361.db2.gz OEIGIZKMOBUCMQ-QGZVFWFLSA-N 2 0 293.499 2.572 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@@H](C)C1 ZINC000883249382 645696069 /nfs/dbraw/zinc/69/60/69/645696069.db2.gz DOFOIBIJKJZLCE-KKUMJFAQSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@H]2CCC[C@@H]21 ZINC000883249524 645697589 /nfs/dbraw/zinc/69/75/89/645697589.db2.gz JBUSQUHEZLGTAU-FZKCQIBNSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000883256652 645701446 /nfs/dbraw/zinc/70/14/46/645701446.db2.gz DXLIYUHFZRMGNN-AVGNSLFASA-N 2 0 272.383 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)F)[C@@H](C)C1 ZINC000883259053 645703430 /nfs/dbraw/zinc/70/34/30/645703430.db2.gz ZODUGVJVEKXNDO-NWDGAFQWSA-N 2 0 262.388 2.988 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000131392096 645718851 /nfs/dbraw/zinc/71/88/51/645718851.db2.gz SODPDOSUUMTALU-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)OCCc3ccccc32)CC[N@@H+]1C ZINC000883340656 645750583 /nfs/dbraw/zinc/75/05/83/645750583.db2.gz WBBBMPIRGFXMSH-HFTRVMKXSA-N 2 0 288.435 2.547 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883364864 645771444 /nfs/dbraw/zinc/77/14/44/645771444.db2.gz PLNFJMABSNBIPL-CVEARBPZSA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883365201 645771894 /nfs/dbraw/zinc/77/18/94/645771894.db2.gz WDKJWYSHKQXODR-CVEARBPZSA-N 2 0 266.429 2.552 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883415692 645810258 /nfs/dbraw/zinc/81/02/58/645810258.db2.gz BZQLXWYIUOSFSW-CGTJXYLNSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883418078 645813225 /nfs/dbraw/zinc/81/32/25/645813225.db2.gz WKRIPCZOYSMEMC-YNEHKIRRSA-N 2 0 260.372 2.871 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883425455 645818462 /nfs/dbraw/zinc/81/84/62/645818462.db2.gz UYMDOIRRUIQGCP-DZOHQFGASA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+]C1(C[NH2+]C[C@@H]2CCC[C@@H](c3ccccc3)O2)CCC1 ZINC000883425634 645820188 /nfs/dbraw/zinc/82/01/88/645820188.db2.gz ZGSIESWJXOGIGL-HOTGVXAUSA-N 2 0 274.408 2.768 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)CC[C@@H]1[NH3+] ZINC000883427057 645820886 /nfs/dbraw/zinc/82/08/86/645820886.db2.gz HIDBOTMEYJLWGQ-AGIUHOORSA-N 2 0 260.372 2.871 20 0 CFADRP CC1([NH3+])CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883425981 645821061 /nfs/dbraw/zinc/82/10/61/645821061.db2.gz GGHYUOVVQIPFRB-CVEARBPZSA-N 2 0 274.408 2.720 20 0 CFADRP FC1(F)CCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428070 645822394 /nfs/dbraw/zinc/82/23/94/645822394.db2.gz KXPBXYPWQSSLJK-KBPBESRZSA-N 2 0 272.383 2.887 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883430522 645823172 /nfs/dbraw/zinc/82/31/72/645823172.db2.gz WWUIZGCCMBDMQE-LPWJVIDDSA-N 2 0 260.372 2.788 20 0 CFADRP FC(F)(F)OCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000883429088 645824529 /nfs/dbraw/zinc/82/45/29/645824529.db2.gz KZICDJZLSKJTNL-STQMWFEESA-N 2 0 294.361 2.625 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000883435119 645829286 /nfs/dbraw/zinc/82/92/86/645829286.db2.gz KZFIFVXXDHJTAD-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000883448017 645837433 /nfs/dbraw/zinc/83/74/33/645837433.db2.gz ROZBDACZBLQANB-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C[N@H+](C[C@@H]1CC2(CCC2)CO1)C1(C[NH3+])CCCCC1 ZINC000883454853 645841117 /nfs/dbraw/zinc/84/11/17/645841117.db2.gz MYJZPVBFKZNCLM-AWEZNQCLSA-N 2 0 266.429 2.539 20 0 CFADRP C(C[N@@H+]1CCCC[C@H](C2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000883461939 645844392 /nfs/dbraw/zinc/84/43/92/645844392.db2.gz GLTQHPCVCURNCJ-RDJZCZTQSA-N 2 0 280.456 2.515 20 0 CFADRP c1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCN21 ZINC000883462311 645844947 /nfs/dbraw/zinc/84/49/47/645844947.db2.gz ODMTUFIENPRMMT-SFHVURJKSA-N 2 0 299.462 2.861 20 0 CFADRP C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000132008221 645862789 /nfs/dbraw/zinc/86/27/89/645862789.db2.gz YEBNYSJQJLCYSK-VXGBXAGGSA-N 2 0 252.789 2.990 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000800171343 646167158 /nfs/dbraw/zinc/16/71/58/646167158.db2.gz GCPINMWEMRPEMX-KKUMJFAQSA-N 2 0 284.444 2.523 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000800221688 646194347 /nfs/dbraw/zinc/19/43/47/646194347.db2.gz XFEANCAKBNVOCT-INIZCTEOSA-N 2 0 296.455 2.669 20 0 CFADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000884190608 646256022 /nfs/dbraw/zinc/25/60/22/646256022.db2.gz IMTLOYGXMIPQNL-OAHLLOKOSA-N 2 0 291.439 2.696 20 0 CFADRP OC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000134880020 646393644 /nfs/dbraw/zinc/39/36/44/646393644.db2.gz KWAGNRDFZVDUJF-WBVHZDCISA-N 2 0 292.467 2.630 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000885926748 646770529 /nfs/dbraw/zinc/77/05/29/646770529.db2.gz HVTLWVSMDSTULZ-RDJZCZTQSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886027838 646827361 /nfs/dbraw/zinc/82/73/61/646827361.db2.gz JBEMBZAQVSLEDX-CGTJXYLNSA-N 2 0 292.467 2.608 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000886057316 646847212 /nfs/dbraw/zinc/84/72/12/646847212.db2.gz LMIVHMCXMQSMMM-HYXAFXHYSA-N 2 0 260.356 2.690 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSC(F)(F)F)[C@@H](C)C1 ZINC000886069951 646854074 /nfs/dbraw/zinc/85/40/74/646854074.db2.gz MUIGUFJZUCJJHH-QWRGUYRKSA-N 2 0 284.391 2.902 20 0 CFADRP Cc1coc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000886127720 646885873 /nfs/dbraw/zinc/88/58/73/646885873.db2.gz QSFUFFWGLLOUJO-UHFFFAOYSA-N 2 0 250.386 2.944 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1C[C@@]12CCOC2)CC1CC[NH+](C)CC1 ZINC000886310063 646963240 /nfs/dbraw/zinc/96/32/40/646963240.db2.gz COOHQYGXYUDIPN-ZWKOTPCHSA-N 2 0 294.483 2.713 20 0 CFADRP COc1cc(C[NH+]2C[C@@H]3C[C@@H]3C2)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886349073 646982153 /nfs/dbraw/zinc/98/21/53/646982153.db2.gz XTAXMNNPAUNPHL-USTZCAOPSA-N 2 0 298.430 2.599 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886596470 647060765 /nfs/dbraw/zinc/06/07/65/647060765.db2.gz FXHGFGAEJQGEBT-FXQLRMTLSA-N 2 0 268.445 2.797 20 0 CFADRP c1cnc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000886601287 647062100 /nfs/dbraw/zinc/06/21/00/647062100.db2.gz OIHLLDZIKPVMNB-INIZCTEOSA-N 2 0 271.408 2.533 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000886601563 647062453 /nfs/dbraw/zinc/06/24/53/647062453.db2.gz WMRVOYTZRPJIOQ-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000886607356 647064281 /nfs/dbraw/zinc/06/42/81/647064281.db2.gz QDBYHJRNCITFSW-UHFFFAOYSA-N 2 0 280.456 2.678 20 0 CFADRP C[C@@H](CC(C)(C)O)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617709 647070362 /nfs/dbraw/zinc/07/03/62/647070362.db2.gz WGGQQOQEOUZMFV-UQPPLGOBSA-N 2 0 282.472 2.923 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617708 647070855 /nfs/dbraw/zinc/07/08/55/647070855.db2.gz WGGQQOQEOUZMFV-HPUBIQBYSA-N 2 0 282.472 2.923 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617379 647070918 /nfs/dbraw/zinc/07/09/18/647070918.db2.gz LULBXLSFYYIXGL-GTPINHCMSA-N 2 0 282.472 2.924 20 0 CFADRP CC[C@@H](C[C@@H](C)O)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886650032 647088632 /nfs/dbraw/zinc/08/86/32/647088632.db2.gz NVAFSXABUXVTCZ-XNIRIUNOSA-N 2 0 282.472 2.923 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)[C@H]2CCC[C@@H]21 ZINC000886730565 647123791 /nfs/dbraw/zinc/12/37/91/647123791.db2.gz GWFZXCCFVKZTCU-YVSFHVDLSA-N 2 0 292.467 2.798 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000220817487 647158464 /nfs/dbraw/zinc/15/84/64/647158464.db2.gz BYUZDUIRESAGRS-UHFFFAOYSA-N 2 0 288.313 2.945 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886839838 647159683 /nfs/dbraw/zinc/15/96/83/647159683.db2.gz NGUVPURWBUNVNW-HSFUPAIVSA-N 2 0 292.467 2.641 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000886840188 647159851 /nfs/dbraw/zinc/15/98/51/647159851.db2.gz VKWJIDGJTORPJO-WDEREUQCSA-N 2 0 282.375 2.561 20 0 CFADRP C([C@H]1CC[C@@H](C2CC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000886841618 647160778 /nfs/dbraw/zinc/16/07/78/647160778.db2.gz QWBZAUFCPJPYFU-KURKYZTESA-N 2 0 292.467 2.656 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000886857937 647162358 /nfs/dbraw/zinc/16/23/58/647162358.db2.gz GKQUZZHNZQKCQQ-HNNXBMFYSA-N 2 0 293.480 2.706 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000886874173 647165798 /nfs/dbraw/zinc/16/57/98/647165798.db2.gz HZGGOPDBDGHHFU-ZWKOTPCHSA-N 2 0 288.435 2.840 20 0 CFADRP C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886876080 647166151 /nfs/dbraw/zinc/16/61/51/647166151.db2.gz DTZZPNRDWROMIP-IKGGRYGDSA-N 2 0 262.441 2.888 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000887134193 647223770 /nfs/dbraw/zinc/22/37/70/647223770.db2.gz FBDZDVKEDBNTNK-GDBMZVCRSA-N 2 0 289.423 2.550 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000925498036 647855729 /nfs/dbraw/zinc/85/57/29/647855729.db2.gz AZNGXGQLLQGIMS-RTBURBONSA-N 2 0 298.430 2.660 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccnnc1 ZINC000924528590 647987816 /nfs/dbraw/zinc/98/78/16/647987816.db2.gz OBFJDRCATIHTTC-ZIAGYGMSSA-N 2 0 264.417 2.638 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)C[C@](C)(O)CC)CC1 ZINC000924577210 647998486 /nfs/dbraw/zinc/99/84/86/647998486.db2.gz HNRIATHAUFHXHO-GDBMZVCRSA-N 2 0 270.461 2.780 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924578067 647999250 /nfs/dbraw/zinc/99/92/50/647999250.db2.gz OROQPLXVIHBNRG-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]CCC[NH+]1CCCCC1 ZINC000924578658 647999702 /nfs/dbraw/zinc/99/97/02/647999702.db2.gz OMQJCFPGZLVOOT-CVEARBPZSA-N 2 0 270.461 2.782 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C(C)(C)CO ZINC000924580618 648000575 /nfs/dbraw/zinc/00/05/75/648000575.db2.gz WQHSCFFAVBLUTC-HNNXBMFYSA-N 2 0 278.440 2.505 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924629268 648012405 /nfs/dbraw/zinc/01/24/05/648012405.db2.gz OAVWLSFPLSXSJB-INIZCTEOSA-N 2 0 297.531 2.919 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924629213 648012655 /nfs/dbraw/zinc/01/26/55/648012655.db2.gz POZYDQWCYPPFPN-OOHWJJMZSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)N(C)C ZINC000924629979 648012894 /nfs/dbraw/zinc/01/28/94/648012894.db2.gz UXWOHXDIELHGNA-DLBZAZTESA-N 2 0 282.472 2.758 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924689794 648028015 /nfs/dbraw/zinc/02/80/15/648028015.db2.gz ZAIFUPPSIYPRGT-BZUAXINKSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000924687402 648028123 /nfs/dbraw/zinc/02/81/23/648028123.db2.gz OYISNZJHJCIDAA-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000924696340 648029353 /nfs/dbraw/zinc/02/93/53/648029353.db2.gz OMTSRNFLSZAOIJ-MSOLQXFVSA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924708734 648032071 /nfs/dbraw/zinc/03/20/71/648032071.db2.gz ZOXUJKLPMNRIMT-KGLIPLIRSA-N 2 0 276.428 2.601 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924711229 648032836 /nfs/dbraw/zinc/03/28/36/648032836.db2.gz GJVVMNRWZKANOQ-AEFFLSMTSA-N 2 0 292.467 2.656 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713891 648033328 /nfs/dbraw/zinc/03/33/28/648033328.db2.gz UHUALCNYUXCTRJ-YSVLISHTSA-N 2 0 260.425 2.805 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000924722309 648035575 /nfs/dbraw/zinc/03/55/75/648035575.db2.gz RXUAFIHTSHBEJB-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP C1CC([NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000924844099 648057967 /nfs/dbraw/zinc/05/79/67/648057967.db2.gz QJNPGKDSGKDXQQ-ROUUACIJSA-N 2 0 291.483 2.610 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924851748 648059765 /nfs/dbraw/zinc/05/97/65/648059765.db2.gz CSBJKEIZHIPTEJ-ZDUSSCGKSA-N 2 0 267.804 2.654 20 0 CFADRP Cc1nccn1CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924874459 648063780 /nfs/dbraw/zinc/06/37/80/648063780.db2.gz RVBHELJTEJBVJE-CQSZACIVSA-N 2 0 286.423 2.604 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924930677 648073495 /nfs/dbraw/zinc/07/34/95/648073495.db2.gz VOIIPJMULRPIMA-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924955151 648078477 /nfs/dbraw/zinc/07/84/77/648078477.db2.gz MCMQNADGVKKWMT-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924955135 648078523 /nfs/dbraw/zinc/07/85/23/648078523.db2.gz MYIQLXNFYOIUQP-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924955741 648079104 /nfs/dbraw/zinc/07/91/04/648079104.db2.gz SYIAYNMPEQNUHE-SJORKVTESA-N 2 0 282.472 2.639 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000924956431 648079585 /nfs/dbraw/zinc/07/95/85/648079585.db2.gz WMBFZEVUISYXKM-GOSISDBHSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCN(C)C1CCCC1 ZINC000924971039 648083067 /nfs/dbraw/zinc/08/30/67/648083067.db2.gz WBEVQNBWJPTAAF-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925040713 648092855 /nfs/dbraw/zinc/09/28/55/648092855.db2.gz KZBLSIRJKXUCFU-BBRMVZONSA-N 2 0 264.413 2.560 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000925152041 648117733 /nfs/dbraw/zinc/11/77/33/648117733.db2.gz QVXRUIYPDWGXAH-GOSISDBHSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CO[C@@H](C)[C@H]1C)C(C)C ZINC000925198063 648130259 /nfs/dbraw/zinc/13/02/59/648130259.db2.gz XYDRFDUFVANRKA-ILXRZTDVSA-N 2 0 256.434 2.508 20 0 CFADRP C[C@H]([NH2+][C@H](CCO)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925459448 648174527 /nfs/dbraw/zinc/17/45/27/648174527.db2.gz GMVJDVOKTUENMU-SUMWQHHRSA-N 2 0 276.424 2.560 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1 ZINC000925477837 648178915 /nfs/dbraw/zinc/17/89/15/648178915.db2.gz NCYDWMTXORCUEP-ROUUACIJSA-N 2 0 290.451 2.997 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925482752 648180216 /nfs/dbraw/zinc/18/02/16/648180216.db2.gz UJCLDQOGCAGDQS-GJZGRUSLSA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925485451 648180926 /nfs/dbraw/zinc/18/09/26/648180926.db2.gz NGWGQGHYOHFCIH-QLFBSQMISA-N 3 0 292.471 2.793 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCSC(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925484247 648181130 /nfs/dbraw/zinc/18/11/30/648181130.db2.gz DAVSWMYXMVCDPO-BDAKNGLRSA-N 2 0 270.364 2.735 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925488364 648182378 /nfs/dbraw/zinc/18/23/78/648182378.db2.gz SJGCFVILNBIIGH-HZPDHXFCSA-N 2 0 279.472 2.515 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925492039 648182493 /nfs/dbraw/zinc/18/24/93/648182493.db2.gz FDUIFNXVYHNMRB-HUUCEWRRSA-N 2 0 276.424 2.733 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925495204 648183558 /nfs/dbraw/zinc/18/35/58/648183558.db2.gz PZUAEBQQQNGKIJ-BPUTZDHNSA-N 2 0 274.408 2.622 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000925499901 648185008 /nfs/dbraw/zinc/18/50/08/648185008.db2.gz UVOWCFNBIHOWKR-PBHICJAKSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C12CCC2 ZINC000925502657 648186493 /nfs/dbraw/zinc/18/64/93/648186493.db2.gz GQTIQZHSXSEQSV-HZPDHXFCSA-N 2 0 287.382 2.709 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C12CCC2 ZINC000925502658 648186741 /nfs/dbraw/zinc/18/67/41/648186741.db2.gz GQTIQZHSXSEQSV-JKSUJKDBSA-N 2 0 287.382 2.709 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925501905 648186892 /nfs/dbraw/zinc/18/68/92/648186892.db2.gz FEUVCPAZYQWBBS-MGPQQGTHSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925504213 648187620 /nfs/dbraw/zinc/18/76/20/648187620.db2.gz NASWHHKTSNLSMD-GJZGRUSLSA-N 2 0 276.399 2.963 20 0 CFADRP c1ccc(OCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925504235 648187691 /nfs/dbraw/zinc/18/76/91/648187691.db2.gz NEBKDXXTLKAWIY-MSOLQXFVSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925507780 648188865 /nfs/dbraw/zinc/18/88/65/648188865.db2.gz NCWVXSBXJOGMHB-ONERCXAPSA-N 2 0 296.361 2.592 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCNc2ccccc2)C1 ZINC000925506340 648188893 /nfs/dbraw/zinc/18/88/93/648188893.db2.gz WAGMQLKJPHIMIE-GOEBONIOSA-N 2 0 275.440 2.984 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925507445 648189500 /nfs/dbraw/zinc/18/95/00/648189500.db2.gz BBCJCWYJQYUXBB-IAGOWNOFSA-N 2 0 298.434 2.594 20 0 CFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925507215 648189536 /nfs/dbraw/zinc/18/95/36/648189536.db2.gz UOGMDWOIBWCFAR-ZWKOTPCHSA-N 2 0 299.462 2.525 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C12CCC2 ZINC000925508807 648190622 /nfs/dbraw/zinc/19/06/22/648190622.db2.gz JRAYIAMBDGRGEB-RRFJBIMHSA-N 2 0 260.356 2.673 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925510687 648191486 /nfs/dbraw/zinc/19/14/86/648191486.db2.gz ZWCFQDBIQJZQKW-ZLKJLUDKSA-N 2 0 279.428 2.718 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925514637 648193577 /nfs/dbraw/zinc/19/35/77/648193577.db2.gz NWCZWOGDGDKEOA-QZTJIDSGSA-N 2 0 288.435 2.953 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2(C)CCOCC2)CC1 ZINC000925514621 648193725 /nfs/dbraw/zinc/19/37/25/648193725.db2.gz NSAPOEVDKFDBGU-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925514012 648193764 /nfs/dbraw/zinc/19/37/64/648193764.db2.gz CVWUOWFPGSSAAR-XJKSGUPXSA-N 2 0 276.424 2.919 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(-n2ccnc2)c1 ZINC000925517504 648195120 /nfs/dbraw/zinc/19/51/20/648195120.db2.gz VUESIGHAYWHNLL-JQFCIGGWSA-N 2 0 296.418 2.793 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2cccc(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925519322 648196739 /nfs/dbraw/zinc/19/67/39/648196739.db2.gz MFZYKOTZQGPBME-PMPSAXMXSA-N 2 0 276.399 2.734 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925520800 648197421 /nfs/dbraw/zinc/19/74/21/648197421.db2.gz SRNFQBFOWHHPJT-DLBZAZTESA-N 2 0 293.499 2.619 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528222 648201630 /nfs/dbraw/zinc/20/16/30/648201630.db2.gz ZULUIAIIILYEHF-DLBZAZTESA-N 2 0 289.467 2.744 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(-n2cccn2)c1 ZINC000925527767 648201833 /nfs/dbraw/zinc/20/18/33/648201833.db2.gz QNSZNWIZOGHHJX-IAOVAPTHSA-N 2 0 296.418 2.793 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925530142 648202498 /nfs/dbraw/zinc/20/24/98/648202498.db2.gz JYILFGKPNJUSNO-MGPQQGTHSA-N 2 0 268.470 2.925 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCC1 ZINC000925529875 648202602 /nfs/dbraw/zinc/20/26/02/648202602.db2.gz NATHQGOCCBPIRQ-FQESAXDCSA-N 2 0 292.467 2.558 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CCC2)cc1 ZINC000925532772 648203413 /nfs/dbraw/zinc/20/34/13/648203413.db2.gz HZVHSHOYTHHDRB-XWJBARJFSA-N 2 0 282.431 2.694 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C12CCC2 ZINC000925534897 648204861 /nfs/dbraw/zinc/20/48/61/648204861.db2.gz RCQPUSZJPIYGHQ-CVEARBPZSA-N 2 0 287.382 2.709 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000925536640 648205980 /nfs/dbraw/zinc/20/59/80/648205980.db2.gz PYDHQXPOXSZJKL-HZPDHXFCSA-N 2 0 262.397 2.625 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2SCCc3ccccc32)C12CCC2 ZINC000925540215 648206927 /nfs/dbraw/zinc/20/69/27/648206927.db2.gz BLMPSOJZKZRUSJ-ARFHVFGLSA-N 2 0 288.460 2.877 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(F)c1 ZINC000925542141 648207646 /nfs/dbraw/zinc/20/76/46/648207646.db2.gz NOJPGZPVZJUEEU-FVQBIDKESA-N 2 0 292.398 2.843 20 0 CFADRP C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000925546508 648210217 /nfs/dbraw/zinc/21/02/17/648210217.db2.gz OBPICOBEAIRTSK-CBZIJGRNSA-N 2 0 289.467 2.927 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)c[nH]c2c1 ZINC000925545118 648210750 /nfs/dbraw/zinc/21/07/50/648210750.db2.gz BNNQHJDYSFEZDV-SJORKVTESA-N 2 0 283.419 2.878 20 0 CFADRP COCCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925555731 648214318 /nfs/dbraw/zinc/21/43/18/648214318.db2.gz ITLWLMOBKWIEEM-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925555734 648214505 /nfs/dbraw/zinc/21/45/05/648214505.db2.gz ITLWLMOBKWIEEM-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2ccc(Cl)nc2)C[C@@H]([NH3+])C1 ZINC000925560118 648216378 /nfs/dbraw/zinc/21/63/78/648216378.db2.gz YOKRTBQGKFMAJK-OLZOCXBDSA-N 2 0 281.831 2.773 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925558717 648216558 /nfs/dbraw/zinc/21/65/58/648216558.db2.gz QNEWFFNYNRBYBC-IKGGRYGDSA-N 2 0 288.435 2.699 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(Cl)nc2)C1 ZINC000925560119 648216592 /nfs/dbraw/zinc/21/65/92/648216592.db2.gz YOKRTBQGKFMAJK-QWHCGFSZSA-N 2 0 281.831 2.773 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925562320 648217694 /nfs/dbraw/zinc/21/76/94/648217694.db2.gz HCVLQKNPXRNPTD-JYJNAYRXSA-N 2 0 288.435 2.930 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccccc1 ZINC000925562785 648218398 /nfs/dbraw/zinc/21/83/98/648218398.db2.gz YEZYENYOGHSMOQ-MRXNPFEDSA-N 2 0 273.355 2.791 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000925565648 648219429 /nfs/dbraw/zinc/21/94/29/648219429.db2.gz VPMBLHVSENFQLR-RYUDHWBXSA-N 2 0 268.351 2.960 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[NH2+]C2(C)C)n1 ZINC000925566480 648219578 /nfs/dbraw/zinc/21/95/78/648219578.db2.gz IGSDIAGRYCIVNY-LBPRGKRZSA-N 2 0 267.442 2.504 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925566023 648219630 /nfs/dbraw/zinc/21/96/30/648219630.db2.gz BPMUIPCJWHWRQN-STQMWFEESA-N 2 0 279.453 2.634 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925564121 648219888 /nfs/dbraw/zinc/21/98/88/648219888.db2.gz HDMPRMMZWFQWNV-IXDOHACOSA-N 2 0 288.435 2.952 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925576650 648224423 /nfs/dbraw/zinc/22/44/23/648224423.db2.gz YGNSRFZJGQENOB-SIXLDLHFSA-N 2 0 290.451 2.994 20 0 CFADRP CC[C@H](C)N(C)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925576881 648224680 /nfs/dbraw/zinc/22/46/80/648224680.db2.gz KWMDDHSXEHLAAT-RDJZCZTQSA-N 2 0 277.456 2.787 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925576648 648224695 /nfs/dbraw/zinc/22/46/95/648224695.db2.gz YGNSRFZJGQENOB-DZUCGIPZSA-N 2 0 290.451 2.994 20 0 CFADRP CC[C@@H](C)N(C)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925576882 648224850 /nfs/dbraw/zinc/22/48/50/648224850.db2.gz KWMDDHSXEHLAAT-WBVHZDCISA-N 2 0 277.456 2.787 20 0 CFADRP CC(C)C1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925578274 648225272 /nfs/dbraw/zinc/22/52/72/648225272.db2.gz BWIBZZOPARYRDQ-RDBSUJKOSA-N 2 0 250.430 2.789 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925585767 648228012 /nfs/dbraw/zinc/22/80/12/648228012.db2.gz WWZCQKQTECHBPA-OWCLPIDISA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925586604 648228173 /nfs/dbraw/zinc/22/81/73/648228173.db2.gz ZWVYCQIZEIZKDL-JKSUJKDBSA-N 2 0 258.409 2.705 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C1 ZINC000925589204 648229856 /nfs/dbraw/zinc/22/98/56/648229856.db2.gz WMJOPUPXHABHBA-QWHCGFSZSA-N 2 0 297.830 2.609 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)Oc1ccccc1 ZINC000925604178 648236142 /nfs/dbraw/zinc/23/61/42/648236142.db2.gz VFIICQAUGBXPLZ-MXASKKJJSA-N 2 0 288.435 2.820 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000925603937 648236311 /nfs/dbraw/zinc/23/63/11/648236311.db2.gz GLLOVZBGHJHKLC-VHSXEESVSA-N 2 0 252.324 2.825 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925609994 648239337 /nfs/dbraw/zinc/23/93/37/648239337.db2.gz CCTHYERUPUNWBY-KBPBESRZSA-N 2 0 270.461 2.813 20 0 CFADRP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925613852 648239915 /nfs/dbraw/zinc/23/99/15/648239915.db2.gz TZFFGBJOXHXEAR-FUHWJXTLSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925617894 648241276 /nfs/dbraw/zinc/24/12/76/648241276.db2.gz XODKZQBZOVJGES-MQYQWHSLSA-N 2 0 280.412 2.587 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925623333 648244824 /nfs/dbraw/zinc/24/48/24/648244824.db2.gz UKMGLXPSUQJUKT-OAHLLOKOSA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925622668 648245533 /nfs/dbraw/zinc/24/55/33/648245533.db2.gz MIQTXOPYQVSUGU-DLTWYDFYSA-N 2 0 282.472 2.540 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925624520 648245607 /nfs/dbraw/zinc/24/56/07/648245607.db2.gz YXDSQBUGZONIHL-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2Cc3ccccc3C2)C12CCC2 ZINC000925626855 648246052 /nfs/dbraw/zinc/24/60/52/648246052.db2.gz UBVRGUORUPRWSG-IAGOWNOFSA-N 2 0 270.420 2.651 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925625956 648246340 /nfs/dbraw/zinc/24/63/40/648246340.db2.gz JJAIICLYYFLBTA-ZNMIVQPWSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)ncn1 ZINC000925627787 648247985 /nfs/dbraw/zinc/24/79/85/648247985.db2.gz DZIPXUSTWFISDH-AWEZNQCLSA-N 2 0 284.407 2.697 20 0 CFADRP Cc1cncc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925628992 648248950 /nfs/dbraw/zinc/24/89/50/648248950.db2.gz JHURWVWOTUYGSE-IRXDYDNUSA-N 2 0 273.424 2.648 20 0 CFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631740 648251064 /nfs/dbraw/zinc/25/10/64/648251064.db2.gz JEBIOAFUTHSDBO-UXLLHSPISA-N 2 0 291.483 2.514 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@@H]([NH3+])C1 ZINC000925634050 648252847 /nfs/dbraw/zinc/25/28/47/648252847.db2.gz KSLBPGBUHSEGOB-CWVYHPPDSA-N 2 0 292.467 2.830 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cncc(F)c1 ZINC000925635583 648254049 /nfs/dbraw/zinc/25/40/49/648254049.db2.gz RWZYWQOQDAMGMF-LEWSCRJBSA-N 2 0 265.376 2.777 20 0 CFADRP C[C@H](CCN[C@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000925636378 648254075 /nfs/dbraw/zinc/25/40/75/648254075.db2.gz BUJXKHTVKTZMDZ-RYRKJORJSA-N 2 0 289.467 2.929 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2F)C12CCC2 ZINC000925637026 648254963 /nfs/dbraw/zinc/25/49/63/648254963.db2.gz GTCFCXVMRQKOQV-RYUDHWBXSA-N 2 0 284.325 2.506 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925638906 648255942 /nfs/dbraw/zinc/25/59/42/648255942.db2.gz HJJQKSLSUUOLQV-UTLUCORTSA-N 2 0 250.308 2.577 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000925646054 648259528 /nfs/dbraw/zinc/25/95/28/648259528.db2.gz SATPLJQPPPNORU-JKSUJKDBSA-N 2 0 260.381 2.749 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCOC(F)(F)F)c1ccccc1 ZINC000925648829 648260367 /nfs/dbraw/zinc/26/03/67/648260367.db2.gz GMQNEXBPJNOEJP-GFCCVEGCSA-N 2 0 276.302 2.593 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925651594 648261621 /nfs/dbraw/zinc/26/16/21/648261621.db2.gz GZYDRCOSYGJXTF-HOTGVXAUSA-N 2 0 273.424 2.868 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C12CCC2 ZINC000925652961 648263079 /nfs/dbraw/zinc/26/30/79/648263079.db2.gz JFMJRBIDEQYGMN-KBAYOESNSA-N 2 0 299.462 2.763 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](O)c1ccccc1 ZINC000925654969 648263690 /nfs/dbraw/zinc/26/36/90/648263690.db2.gz SVGRSFLJCSJOFD-VVLHAWIVSA-N 2 0 288.435 2.604 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925654612 648263836 /nfs/dbraw/zinc/26/38/36/648263836.db2.gz GFBQIJFESIHRPA-RNJOBUHISA-N 2 0 272.383 2.788 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925653647 648263877 /nfs/dbraw/zinc/26/38/77/648263877.db2.gz IVNGJWZZUOGVFV-USXIJHARSA-N 2 0 279.472 2.514 20 0 CFADRP FC1(F)CC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925653721 648264219 /nfs/dbraw/zinc/26/42/19/648264219.db2.gz ZBHAOYYATUSOSJ-CHWSQXEVSA-N 2 0 258.356 2.542 20 0 CFADRP CSC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925658816 648265974 /nfs/dbraw/zinc/26/59/74/648265974.db2.gz VNZPBEAIALDXEO-CQSZACIVSA-N 2 0 264.438 2.952 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925658738 648265998 /nfs/dbraw/zinc/26/59/98/648265998.db2.gz ZMBSTHAURZBTQG-AYIQCDPPSA-N 2 0 288.460 2.537 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925657502 648266017 /nfs/dbraw/zinc/26/60/17/648266017.db2.gz CNVQTUXYSJUBNB-PMPSAXMXSA-N 2 0 274.408 2.624 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925658739 648266615 /nfs/dbraw/zinc/26/66/15/648266615.db2.gz ZMBSTHAURZBTQG-GMBUGEKQSA-N 2 0 288.460 2.537 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C12CCC2 ZINC000925659693 648267464 /nfs/dbraw/zinc/26/74/64/648267464.db2.gz FPLUTXMZFIXPQT-RBSFLKMASA-N 2 0 276.811 2.667 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925661378 648268844 /nfs/dbraw/zinc/26/88/44/648268844.db2.gz CTDOBYKLYCAZOS-HZPDHXFCSA-N 2 0 280.456 2.561 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000925667073 648269808 /nfs/dbraw/zinc/26/98/08/648269808.db2.gz UEIDXYAPISAAHA-AVVWSFFYSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)ccc2[nH]1 ZINC000925670647 648271578 /nfs/dbraw/zinc/27/15/78/648271578.db2.gz MQQIFEOBSWACJK-CVEARBPZSA-N 2 0 269.392 2.836 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925671261 648272485 /nfs/dbraw/zinc/27/24/85/648272485.db2.gz BRHHCPSWNIOWCK-QLFBSQMISA-N 2 0 282.472 2.805 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1ccccc1 ZINC000925669048 648272567 /nfs/dbraw/zinc/27/25/67/648272567.db2.gz OCRCHFGKXKYEAP-LCGIIJARSA-N 2 0 276.424 2.604 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671729 648273030 /nfs/dbraw/zinc/27/30/30/648273030.db2.gz FGRPBDOITSGXST-KBPBESRZSA-N 2 0 270.461 2.935 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676819 648275315 /nfs/dbraw/zinc/27/53/15/648275315.db2.gz MBQQBRSVLKFNMB-NEPJUHHUSA-N 2 0 265.401 2.541 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccn1 ZINC000925679521 648277095 /nfs/dbraw/zinc/27/70/95/648277095.db2.gz JBTAMFCHCOBEEK-VNQPRFMTSA-N 2 0 287.451 2.725 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925683926 648278309 /nfs/dbraw/zinc/27/83/09/648278309.db2.gz BETHWGPXKSCXHG-MSOLQXFVSA-N 3 0 293.499 2.619 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925686305 648278977 /nfs/dbraw/zinc/27/89/77/648278977.db2.gz SXFKLCXQWJKTLW-GBJTYRQASA-N 2 0 268.445 2.830 20 0 CFADRP CC1(C)CCCN1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925685372 648279120 /nfs/dbraw/zinc/27/91/20/648279120.db2.gz LRVPGYLFYJHCQU-QGZVFWFLSA-N 2 0 289.467 2.931 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925686706 648279434 /nfs/dbraw/zinc/27/94/34/648279434.db2.gz VSVPJJHXAKSAOC-DIECFANBSA-N 2 0 288.435 2.794 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693781 648282645 /nfs/dbraw/zinc/28/26/45/648282645.db2.gz SAHFEGDFVUOHQG-LSDHHAIUSA-N 2 0 282.472 2.541 20 0 CFADRP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694945 648283399 /nfs/dbraw/zinc/28/33/99/648283399.db2.gz VLURYGMHSKKAIZ-IRXDYDNUSA-N 2 0 273.424 2.648 20 0 CFADRP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)CC(F)(F)F ZINC000925694210 648283874 /nfs/dbraw/zinc/28/38/74/648283874.db2.gz FJPVJXTYFHQYEF-ZJUUUORDSA-N 2 0 252.324 2.695 20 0 CFADRP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)CC(F)(F)F ZINC000925694837 648284386 /nfs/dbraw/zinc/28/43/86/648284386.db2.gz GDHHDCBARUFVNL-GHMZBOCLSA-N 2 0 264.335 2.839 20 0 CFADRP [NH3+]C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1 ZINC000925700483 648285468 /nfs/dbraw/zinc/28/54/68/648285468.db2.gz QISFDVNSMSGKDK-MSOLQXFVSA-N 2 0 295.430 2.714 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)c2nccn21 ZINC000925697205 648285550 /nfs/dbraw/zinc/28/55/50/648285550.db2.gz ZNXUWLXXXYERDM-KBMXLJTQSA-N 2 0 284.407 2.959 20 0 CFADRP [NH3+]C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1 ZINC000925700484 648285616 /nfs/dbraw/zinc/28/56/16/648285616.db2.gz QISFDVNSMSGKDK-QZTJIDSGSA-N 2 0 295.430 2.714 20 0 CFADRP C[C@@H](N)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000925703288 648286289 /nfs/dbraw/zinc/28/62/89/648286289.db2.gz CYIZJCSJSOVRNX-LHUBUQBQSA-N 2 0 275.440 2.537 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@H]1[C@@H]3[NH2+]C[C@H]4C[C@H]1C[C@H]34)CC2 ZINC000925706491 648288136 /nfs/dbraw/zinc/28/81/36/648288136.db2.gz KAUKSPDSKDDQLK-FBKDGTBUSA-N 2 0 282.378 2.540 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000925706286 648288908 /nfs/dbraw/zinc/28/89/08/648288908.db2.gz BYICQRHACGNIAL-SFHVURJKSA-N 3 0 283.419 2.715 20 0 CFADRP C[C@@]1(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(F)F ZINC000925709866 648290497 /nfs/dbraw/zinc/29/04/97/648290497.db2.gz OXXVUPUFXZGYTF-OWTLIXCDSA-N 2 0 272.383 2.788 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000925709910 648290756 /nfs/dbraw/zinc/29/07/56/648290756.db2.gz VJAGCQOGZRTOBF-SORZLVKCSA-N 2 0 280.481 2.625 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925712512 648292679 /nfs/dbraw/zinc/29/26/79/648292679.db2.gz HNDWTIBDKJDNMT-UMVBOHGHSA-N 2 0 261.413 2.508 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2SCCS2)C1 ZINC000925715022 648293695 /nfs/dbraw/zinc/29/36/95/648293695.db2.gz BIPKCCIUEASELU-QWRGUYRKSA-N 2 0 274.499 2.678 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925716189 648294540 /nfs/dbraw/zinc/29/45/40/648294540.db2.gz LROIAVORFJWRPC-NXEZZACHSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C1CCC(C2CCC2)CC1 ZINC000925717571 648296242 /nfs/dbraw/zinc/29/62/42/648296242.db2.gz UISBWFMIHDBABZ-WNPOUYCHSA-N 2 0 292.467 2.687 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925721643 648296552 /nfs/dbraw/zinc/29/65/52/648296552.db2.gz PPRZFKUZURXBFD-IHRRRGAJSA-N 2 0 272.383 2.790 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCCC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925719455 648297119 /nfs/dbraw/zinc/29/71/19/648297119.db2.gz RZEOQNWGPVEDHY-KBXIAJHMSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H]3CC[NH2+]C3(C)C)c[nH]c2cc1F ZINC000925721519 648297198 /nfs/dbraw/zinc/29/71/98/648297198.db2.gz DCVDFRLHFJQDNB-INIZCTEOSA-N 2 0 289.398 2.888 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)OCC ZINC000925723554 648298857 /nfs/dbraw/zinc/29/88/57/648298857.db2.gz RBUCUSLNYLWUJZ-IKGGRYGDSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726815 648299826 /nfs/dbraw/zinc/29/98/26/648299826.db2.gz WLAAPEUQSVCMQI-IRXDYDNUSA-N 3 0 289.467 2.834 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1noc2cc(F)ccc21 ZINC000925730927 648300906 /nfs/dbraw/zinc/30/09/06/648300906.db2.gz YJJXSWVRKUPIDU-BAYUOZKJSA-N 2 0 289.354 2.572 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925731090 648301333 /nfs/dbraw/zinc/30/13/33/648301333.db2.gz JOLIVVMEIRDYGY-DOMZBBRYSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925734574 648303291 /nfs/dbraw/zinc/30/32/91/648303291.db2.gz AVTSIPIEICCNAR-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742155 648306193 /nfs/dbraw/zinc/30/61/93/648306193.db2.gz PYLMPPDPFMETCM-CHWSQXEVSA-N 2 0 256.434 2.687 20 0 CFADRP CCC1(CC)[C@@H](OC)C[C@@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000925756607 648310132 /nfs/dbraw/zinc/31/01/32/648310132.db2.gz MPFYRDYGKVSAIO-KBPBESRZSA-N 2 0 268.445 2.783 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000925759648 648311511 /nfs/dbraw/zinc/31/15/11/648311511.db2.gz QHLJBENOJQABJU-CQSZACIVSA-N 2 0 299.422 2.532 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000925760562 648311607 /nfs/dbraw/zinc/31/16/07/648311607.db2.gz YLYLSTLMJIHLNA-CQSZACIVSA-N 2 0 289.423 2.607 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1sccc1Br ZINC000925762892 648312628 /nfs/dbraw/zinc/31/26/28/648312628.db2.gz OTLIYRCMTYJPKE-DTWKUNHWSA-N 2 0 291.258 2.769 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC2(CCC2)CO1 ZINC000925772245 648316125 /nfs/dbraw/zinc/31/61/25/648316125.db2.gz HJQIHLDUZYSWMA-MWDXBVQZSA-N 2 0 292.467 2.846 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000925772486 648316167 /nfs/dbraw/zinc/31/61/67/648316167.db2.gz ICWMEUIDQJFSID-NHIYQJMISA-N 2 0 266.429 2.584 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)c2ccccc21 ZINC000925774911 648317917 /nfs/dbraw/zinc/31/79/17/648317917.db2.gz YADUSJCABDCIRQ-HZMVEIRTSA-N 2 0 272.392 2.823 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925775134 648318019 /nfs/dbraw/zinc/31/80/19/648318019.db2.gz OJZKBPQPLAILOM-CABCVRRESA-N 2 0 294.414 2.872 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000925779372 648320327 /nfs/dbraw/zinc/32/03/27/648320327.db2.gz XVRQAWABSNOZET-QWHCGFSZSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925781164 648321471 /nfs/dbraw/zinc/32/14/71/648321471.db2.gz XLOPBJIBOSRNHR-CHWSQXEVSA-N 2 0 268.351 2.890 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000925783470 648322233 /nfs/dbraw/zinc/32/22/33/648322233.db2.gz OVJOCWRFKSXYQS-HOTGVXAUSA-N 2 0 294.389 2.842 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CCS2 ZINC000925786833 648323107 /nfs/dbraw/zinc/32/31/07/648323107.db2.gz VQLQAEVZXYZKKP-XUJVJEKNSA-N 2 0 292.448 2.677 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000925785913 648323252 /nfs/dbraw/zinc/32/32/52/648323252.db2.gz QIGQJHVCFRFRHV-IWCQGFGOSA-N 2 0 258.409 2.768 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C(C)C)cc1 ZINC000925787186 648324377 /nfs/dbraw/zinc/32/43/77/648324377.db2.gz WXDBTNIEZZYZEP-KMFMINBZSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000925791506 648325361 /nfs/dbraw/zinc/32/53/61/648325361.db2.gz RDOJZODAGOHCOE-ZETOZRRWSA-N 2 0 264.800 2.772 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1N(C)C ZINC000925793701 648325470 /nfs/dbraw/zinc/32/54/70/648325470.db2.gz ALPFSLPFJJSIOZ-MGPQQGTHSA-N 2 0 293.430 2.788 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925793646 648325758 /nfs/dbraw/zinc/32/57/58/648325758.db2.gz ZQQOHGSXNDSTBS-UTUOFQBUSA-N 2 0 252.427 2.817 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000925794266 648325776 /nfs/dbraw/zinc/32/57/76/648325776.db2.gz COUKHBCHTUCKSN-HFAKWTLXSA-N 2 0 280.362 2.787 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000925801103 648327490 /nfs/dbraw/zinc/32/74/90/648327490.db2.gz UCNNBFVGGOKGTG-BFYDXBDKSA-N 2 0 298.434 2.769 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000925804179 648327998 /nfs/dbraw/zinc/32/79/98/648327998.db2.gz DLIYECFYRZXIPE-MJFSBKNWSA-N 2 0 273.424 2.936 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000925803579 648328244 /nfs/dbraw/zinc/32/82/44/648328244.db2.gz RMXUXVCRNZTUBT-XNRPHZJLSA-N 2 0 296.842 2.863 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)C[C@@H]([NH3+])C1 ZINC000925805358 648329207 /nfs/dbraw/zinc/32/92/07/648329207.db2.gz HQWFLDQGCGSQDN-NOOOWODRSA-N 2 0 294.361 2.592 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCC2(c3ccccc3)CC2)C12CCC2 ZINC000925805260 648329315 /nfs/dbraw/zinc/32/93/15/648329315.db2.gz RNXDXEDLONYSJL-HOTGVXAUSA-N 2 0 270.420 2.968 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808738 648329949 /nfs/dbraw/zinc/32/99/49/648329949.db2.gz DYZCHHIETYLIQC-CVEARBPZSA-N 2 0 281.488 2.604 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925809664 648330833 /nfs/dbraw/zinc/33/08/33/648330833.db2.gz SJPLWZLWSAQIHI-QGZVFWFLSA-N 2 0 275.440 2.541 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2c[nH]c(=O)c3ccccc23)C1 ZINC000925813512 648332175 /nfs/dbraw/zinc/33/21/75/648332175.db2.gz UPBSKOANCXFEMB-ZIAGYGMSSA-N 2 0 299.418 2.936 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cnccn1 ZINC000925816682 648332697 /nfs/dbraw/zinc/33/26/97/648332697.db2.gz IQATWBZZIAWIIP-CQSZACIVSA-N 2 0 276.428 2.687 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000925815290 648332717 /nfs/dbraw/zinc/33/27/17/648332717.db2.gz VSNYHUBMYQUMJK-MRXNPFEDSA-N 2 0 269.392 2.509 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cnccn1 ZINC000925816681 648332802 /nfs/dbraw/zinc/33/28/02/648332802.db2.gz IQATWBZZIAWIIP-AWEZNQCLSA-N 2 0 276.428 2.687 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925820531 648333654 /nfs/dbraw/zinc/33/36/54/648333654.db2.gz DGBKYOGSOFNFSU-ONNAEPBLSA-N 2 0 262.441 2.931 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2nc3c(s2)CCC3)C[C@@H]([NH3+])C1 ZINC000925829312 648336667 /nfs/dbraw/zinc/33/66/67/648336667.db2.gz CALTUOMKCMVZFI-NEPJUHHUSA-N 2 0 293.480 2.670 20 0 CFADRP Fc1cccc(C2(C[NH2+][C@@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000925834439 648338262 /nfs/dbraw/zinc/33/82/62/648338262.db2.gz WSJUABOCWFWGOC-MRXNPFEDSA-N 2 0 276.399 2.979 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925834494 648338593 /nfs/dbraw/zinc/33/85/93/648338593.db2.gz XOCULYWBHXGCFM-QWHCGFSZSA-N 2 0 264.388 2.963 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925835469 648338614 /nfs/dbraw/zinc/33/86/14/648338614.db2.gz QALNDOUOPFBSCR-HIFRSBDPSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1nc2c(cccc2CCN[C@H]2CC[NH2+]C23CCCC3)o1 ZINC000925838940 648340616 /nfs/dbraw/zinc/34/06/16/648340616.db2.gz PCGVQOGSLYUFCA-INIZCTEOSA-N 2 0 299.418 2.943 20 0 CFADRP FC1(F)[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000925840960 648341104 /nfs/dbraw/zinc/34/11/04/648341104.db2.gz XYFKGJYYBAHQFO-YKUJZXIWSA-N 2 0 292.373 2.908 20 0 CFADRP C(CC[NH2+][C@@H](C1CC1)C1CCCC1)CCN1CC[NH2+]CC1 ZINC000925842341 648342071 /nfs/dbraw/zinc/34/20/71/648342071.db2.gz LVVZFCXOMLNCJL-GOSISDBHSA-N 2 0 293.499 2.620 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)CCO2 ZINC000925843515 648342095 /nfs/dbraw/zinc/34/20/95/648342095.db2.gz QRSUREXCTGFVKB-FSPWUOQZSA-N 2 0 286.419 2.804 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844123 648342261 /nfs/dbraw/zinc/34/22/61/648342261.db2.gz WAPJPPLXSIQLMM-ZTFGCOKTSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000925861677 648347532 /nfs/dbraw/zinc/34/75/32/648347532.db2.gz RUFOVVOQAKYLQP-BFHYXJOUSA-N 2 0 268.470 2.925 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000925872123 648351198 /nfs/dbraw/zinc/35/11/98/648351198.db2.gz PWOAWOBZGWPFOB-KFWWJZLASA-N 2 0 273.424 2.955 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000925872336 648351935 /nfs/dbraw/zinc/35/19/35/648351935.db2.gz SZBVPCNIICKFLM-GUYCJALGSA-N 2 0 296.418 2.972 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)no1 ZINC000925881973 648354514 /nfs/dbraw/zinc/35/45/14/648354514.db2.gz LXZZQELXXYXKQU-JLJPHGGASA-N 2 0 285.391 2.693 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)ccc1F ZINC000925883965 648355350 /nfs/dbraw/zinc/35/53/50/648355350.db2.gz ZQOHSKHYTAGWGB-LOWVWBTDSA-N 2 0 266.360 2.612 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccco1 ZINC000925887880 648356027 /nfs/dbraw/zinc/35/60/27/648356027.db2.gz OFRVACVGZAZEPQ-UNEWFSDZSA-N 2 0 270.376 2.989 20 0 CFADRP CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1CC1 ZINC000925887740 648356038 /nfs/dbraw/zinc/35/60/38/648356038.db2.gz LLKVDOOUUZEXFR-ZACQAIPSSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccncc1 ZINC000925887203 648356140 /nfs/dbraw/zinc/35/61/40/648356140.db2.gz VBISTRCBJKSMMC-JCGIZDLHSA-N 2 0 281.403 2.791 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccco1 ZINC000925887879 648356183 /nfs/dbraw/zinc/35/61/83/648356183.db2.gz OFRVACVGZAZEPQ-JLJPHGGASA-N 2 0 270.376 2.989 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cncs1 ZINC000925887422 648356382 /nfs/dbraw/zinc/35/63/82/648356382.db2.gz CNFWXPZNAAOAAQ-DUVNUKRYSA-N 2 0 287.432 2.853 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926113274 648407606 /nfs/dbraw/zinc/40/76/06/648407606.db2.gz DHEZNEOXZCAXKY-HZPDHXFCSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926126026 648411030 /nfs/dbraw/zinc/41/10/30/648411030.db2.gz ONABHJVRFHIYOD-HZSPNIEDSA-N 2 0 264.413 2.558 20 0 CFADRP C[C@H](CCN[C@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000926142952 648415474 /nfs/dbraw/zinc/41/54/74/648415474.db2.gz MFTCHJSAOIKWCF-FGTMMUONSA-N 2 0 293.499 2.857 20 0 CFADRP CC(C)(C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000926276314 648453368 /nfs/dbraw/zinc/45/33/68/648453368.db2.gz VZGWIBIUWKIKNK-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccns1 ZINC000926308722 648459552 /nfs/dbraw/zinc/45/95/52/648459552.db2.gz PDIXIUXWSDTUEV-LLVKDONJSA-N 2 0 265.426 2.668 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926335639 648465508 /nfs/dbraw/zinc/46/55/08/648465508.db2.gz BAQIMLXUIOAQSX-GQGLESIBSA-N 2 0 280.456 2.654 20 0 CFADRP C1CC([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]2CCOC2)C1 ZINC000926338555 648466522 /nfs/dbraw/zinc/46/65/22/648466522.db2.gz ZEYSENUAYBOJRO-FCCDEINASA-N 2 0 292.467 2.798 20 0 CFADRP C1CC([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]2CCOC2)C1 ZINC000926338551 648466739 /nfs/dbraw/zinc/46/67/39/648466739.db2.gz ZEYSENUAYBOJRO-BFWZDYSYSA-N 2 0 292.467 2.798 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000926444591 648489913 /nfs/dbraw/zinc/48/99/13/648489913.db2.gz SXDKFHIXMBLDLK-HUUCEWRRSA-N 2 0 263.429 2.723 20 0 CFADRP CSC1(C[NH2+][C@H](C)C2(Cl)CC2)CC[NH+](C)CC1 ZINC000926449277 648490786 /nfs/dbraw/zinc/49/07/86/648490786.db2.gz SODQLIUHJOWNBW-LLVKDONJSA-N 2 0 276.877 2.563 20 0 CFADRP C[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926456569 648495855 /nfs/dbraw/zinc/49/58/55/648495855.db2.gz JLANCAOSSAULLY-RDTXWAMCSA-N 2 0 290.451 2.950 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926487795 648505582 /nfs/dbraw/zinc/50/55/82/648505582.db2.gz PWRXFLZBVRSEBY-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)on1 ZINC000926488213 648506719 /nfs/dbraw/zinc/50/67/19/648506719.db2.gz WSJPMNRKLQUERE-CYBMUJFWSA-N 2 0 281.400 2.600 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926489962 648507984 /nfs/dbraw/zinc/50/79/84/648507984.db2.gz SAVZHUMMPSVCKQ-GUYCJALGSA-N 2 0 276.424 2.824 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCC1(F)F ZINC000926503780 648513262 /nfs/dbraw/zinc/51/32/62/648513262.db2.gz YHVFEYZKUYAUBZ-WJLOJVBCSA-N 2 0 272.383 2.742 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCCC[C@@H]1CCCO)C1CC1 ZINC000926560975 648533572 /nfs/dbraw/zinc/53/35/72/648533572.db2.gz VHGKJBJGZZJULN-WBVHZDCISA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566487 648535232 /nfs/dbraw/zinc/53/52/32/648535232.db2.gz BXXFHCCHOCWEJQ-ZBFHGGJFSA-N 2 0 275.396 2.754 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)ccc12 ZINC000926567748 648536427 /nfs/dbraw/zinc/53/64/27/648536427.db2.gz MWJCLWPPLRTERY-WBVHZDCISA-N 2 0 285.391 2.629 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000926571775 648537821 /nfs/dbraw/zinc/53/78/21/648537821.db2.gz BYZMCKQNKXHJTP-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000926573672 648539409 /nfs/dbraw/zinc/53/94/09/648539409.db2.gz PEHVIIGMXQNSEW-HPUBIQBYSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926574267 648539482 /nfs/dbraw/zinc/53/94/82/648539482.db2.gz ULQMDAGMVNWWKO-SMDDNHRTSA-N 2 0 265.401 2.674 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000926574128 648539662 /nfs/dbraw/zinc/53/96/62/648539662.db2.gz SFTCADRGARRBAN-IXDOHACOSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000926631788 648555565 /nfs/dbraw/zinc/55/55/65/648555565.db2.gz UXWQOOUTXAQESA-UHFFFAOYSA-N 2 0 290.451 2.779 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926646056 648560298 /nfs/dbraw/zinc/56/02/98/648560298.db2.gz UNUUEXZHGLELHM-IAGOWNOFSA-N 2 0 284.488 2.885 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000926644865 648560552 /nfs/dbraw/zinc/56/05/52/648560552.db2.gz KTFKFHMINNKCHR-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926645092 648560627 /nfs/dbraw/zinc/56/06/27/648560627.db2.gz NWYCQACWLDJBLO-HOTGVXAUSA-N 2 0 270.461 2.615 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)COCC2CC2)CC1 ZINC000926649240 648562463 /nfs/dbraw/zinc/56/24/63/648562463.db2.gz CAKICCKZQIGHSU-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000926665664 648566822 /nfs/dbraw/zinc/56/68/22/648566822.db2.gz JUGSTYUAYQXZPO-LNSITVRQSA-N 2 0 294.826 2.841 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926665828 648567034 /nfs/dbraw/zinc/56/70/34/648567034.db2.gz NBSDMVSCJUYGBA-CWLKWCNXSA-N 2 0 287.451 2.723 20 0 CFADRP C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926697813 648579880 /nfs/dbraw/zinc/57/98/80/648579880.db2.gz OJBRPYAMKAVZOS-IUODEOHRSA-N 2 0 298.377 2.823 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)CO1 ZINC000926737252 648596634 /nfs/dbraw/zinc/59/66/34/648596634.db2.gz DTQKQSHHUNGMCR-DVHLICQRSA-N 2 0 292.467 2.656 20 0 CFADRP CCn1nccc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926739789 648597470 /nfs/dbraw/zinc/59/74/70/648597470.db2.gz ZDRQZSXEFNDKBT-AWEZNQCLSA-N 2 0 286.423 2.815 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000926763500 648605905 /nfs/dbraw/zinc/60/59/05/648605905.db2.gz PNWLFWOPQIULSH-AIANPOQGSA-N 2 0 282.472 2.898 20 0 CFADRP CCC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926779351 648612163 /nfs/dbraw/zinc/61/21/63/648612163.db2.gz WMXYIDBALYLHFR-WMLDXEAASA-N 2 0 278.440 2.950 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000926791672 648617926 /nfs/dbraw/zinc/61/79/26/648617926.db2.gz VIVLDOQTXAJXNX-DZKIICNBSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000926791621 648618176 /nfs/dbraw/zinc/61/81/76/648618176.db2.gz SLMXZWWOXJTHDX-GJZGRUSLSA-N 2 0 282.472 2.758 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926803850 648622431 /nfs/dbraw/zinc/62/24/31/648622431.db2.gz HAYISBPHUCYCAF-FHWLQOOXSA-N 2 0 299.462 2.780 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCOC2(CCC2)C1 ZINC000926880658 648643434 /nfs/dbraw/zinc/64/34/34/648643434.db2.gz ZFDMDSJSYKHRER-FCLJQHQZSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCS[C@H](C)C2)CC1 ZINC000927030063 648688464 /nfs/dbraw/zinc/68/84/64/648688464.db2.gz HFFGSDTZQDWEII-OCCSQVGLSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCOC1 ZINC000927036820 648689729 /nfs/dbraw/zinc/68/97/29/648689729.db2.gz GSKDGAAYWNQTLG-NJINODPHSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C(C)C ZINC000927037760 648689736 /nfs/dbraw/zinc/68/97/36/648689736.db2.gz KTGSYTLOBSDDKC-HWOWSKLDSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCCO1 ZINC000927040608 648690465 /nfs/dbraw/zinc/69/04/65/648690465.db2.gz ZEJTZXJPZOGWNR-GYXIZQIFSA-N 2 0 280.456 2.941 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@H](C)C1 ZINC000927120616 648719631 /nfs/dbraw/zinc/71/96/31/648719631.db2.gz VRXXLRDRJHXLPS-BDXSIMOUSA-N 2 0 294.483 2.903 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000929275595 649021821 /nfs/dbraw/zinc/02/18/21/649021821.db2.gz KKGGTAOVGFPGRZ-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929288563 649024087 /nfs/dbraw/zinc/02/40/87/649024087.db2.gz RGDPPXRDTFMZAI-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000929718198 649105378 /nfs/dbraw/zinc/10/53/78/649105378.db2.gz CKPGZKBHNONRKF-IRXDYDNUSA-N 2 0 282.472 2.713 20 0 CFADRP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C(C)C ZINC000929762631 649115799 /nfs/dbraw/zinc/11/57/99/649115799.db2.gz IAORYDHLMBCVTJ-DLBZAZTESA-N 2 0 282.472 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccncc2)[C@@H](C)C1 ZINC000929998842 649162527 /nfs/dbraw/zinc/16/25/27/649162527.db2.gz HTHNANHZSLLEDV-GOEBONIOSA-N 2 0 293.480 2.836 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSc2ccncc2)[C@H](C)C1 ZINC000929998840 649163087 /nfs/dbraw/zinc/16/30/87/649163087.db2.gz HTHNANHZSLLEDV-GDBMZVCRSA-N 2 0 293.480 2.836 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC000930044893 649172994 /nfs/dbraw/zinc/17/29/94/649172994.db2.gz KTIVCDSYLLXHES-UHFFFAOYSA-N 2 0 293.499 2.523 20 0 CFADRP Cc1nnsc1[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000930145722 649193462 /nfs/dbraw/zinc/19/34/62/649193462.db2.gz LSBKJUUNGCCBCZ-ZDUSSCGKSA-N 2 0 296.484 2.961 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000931076365 649375949 /nfs/dbraw/zinc/37/59/49/649375949.db2.gz QQHWRXHFUMJLOO-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP C[NH+]1C[C@]2(C)CN(CCCCC(F)(F)F)C[C@@]2(C)C1 ZINC000931311438 649405356 /nfs/dbraw/zinc/40/53/56/649405356.db2.gz NKHQFUQJJRIPTA-CHWSQXEVSA-N 2 0 278.362 2.993 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314388 649406592 /nfs/dbraw/zinc/40/65/92/649406592.db2.gz NLQPZUCXAVAVNT-SQNIBIBYSA-N 2 0 293.499 2.523 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3OC3CC3)C[C@@H]2C1 ZINC000931437175 649427654 /nfs/dbraw/zinc/42/76/54/649427654.db2.gz NDFMEJNGNMASTH-ZBFHGGJFSA-N 2 0 286.419 2.611 20 0 CFADRP Cc1cc(Cl)ccc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479576 649438862 /nfs/dbraw/zinc/43/88/62/649438862.db2.gz TZNRNJIKZSQBBA-UHFFFAOYSA-N 2 0 296.842 2.537 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCc3nccc(N)c3C2)cc1 ZINC000931518165 649446906 /nfs/dbraw/zinc/44/69/06/649446906.db2.gz INLFOZJZVCMBEG-UHFFFAOYSA-N 2 0 281.403 2.963 20 0 CFADRP COc1cccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000931546168 649451147 /nfs/dbraw/zinc/45/11/47/649451147.db2.gz JIIUNXRRRMQBEC-HOTGVXAUSA-N 2 0 274.408 2.530 20 0 CFADRP COc1cccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000931546171 649451190 /nfs/dbraw/zinc/45/11/90/649451190.db2.gz JIIUNXRRRMQBEC-HZPDHXFCSA-N 2 0 274.408 2.530 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@@H]21 ZINC000931546608 649451384 /nfs/dbraw/zinc/45/13/84/649451384.db2.gz NDAMGAMPDXERJQ-RDJZCZTQSA-N 2 0 297.402 2.868 20 0 CFADRP COC[C@@H](C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C(C)C ZINC000931684083 649471377 /nfs/dbraw/zinc/47/13/77/649471377.db2.gz NSBGPWIDSFUWFD-JKSUJKDBSA-N 2 0 291.439 2.511 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC000931718734 649478197 /nfs/dbraw/zinc/47/81/97/649478197.db2.gz UMYYWUQFPZPOHC-RWMBFGLXSA-N 2 0 258.356 2.590 20 0 CFADRP Cc1ccc(NC(=O)CC[NH2+]C(C)(C)C)c(C[NH+](C)C)c1 ZINC000932807229 649644282 /nfs/dbraw/zinc/64/42/82/649644282.db2.gz KOVLDMKJDIUJQX-UHFFFAOYSA-N 2 0 291.439 2.773 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000934762668 649825729 /nfs/dbraw/zinc/82/57/29/649825729.db2.gz VQNNNINFZNFXKT-ZNMIVQPWSA-N 2 0 250.430 2.981 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934833069 649837185 /nfs/dbraw/zinc/83/71/85/649837185.db2.gz HXCUJPWUYZVQLE-BRWVUGGUSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2Cl)C[C@H]1CC[NH3+] ZINC000723895825 770709081 /nfs/dbraw/zinc/70/90/81/770709081.db2.gz ZYHHFGBJPBSHCL-VXGBXAGGSA-N 2 0 252.789 2.757 20 0 CFADRP Cn1c[nH+]cc1N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277769845 777807073 /nfs/dbraw/zinc/80/70/73/777807073.db2.gz WHCGWPJFPJZUSL-QGZVFWFLSA-N 2 0 288.439 2.655 20 0 CFADRP COCC[N@H+](Cc1c(C)cc(C)cc1C)C1CC[NH2+]CC1 ZINC001235946545 778621414 /nfs/dbraw/zinc/62/14/14/778621414.db2.gz LEPDPDXQOAQMNS-UHFFFAOYSA-N 2 0 290.451 2.812 20 0 CFADRP CC[N@H+](Cc1ccc(C)cc1)CC1(F)CC[NH2+]CC1 ZINC001236245178 778752154 /nfs/dbraw/zinc/75/21/54/778752154.db2.gz QKYIMRRUWBSWIN-UHFFFAOYSA-N 2 0 264.388 2.909 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(N)cc1 ZINC001168360558 778483267 /nfs/dbraw/zinc/48/32/67/778483267.db2.gz SPJLDKFJSIUBPY-ZDUSSCGKSA-N 2 0 273.424 2.794 20 0 CFADRP C(C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000094372487 779614578 /nfs/dbraw/zinc/61/45/78/779614578.db2.gz BCDCLPNTFDYTOG-HNNXBMFYSA-N 2 0 266.429 2.554 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC001203385125 769878922 /nfs/dbraw/zinc/87/89/22/769878922.db2.gz JYQJXLLDJKJERL-UHFFFAOYSA-N 2 0 264.800 2.868 20 0 CFADRP C[N@@H+]1CCC[C@H](CN2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001208603337 769909570 /nfs/dbraw/zinc/90/95/70/769909570.db2.gz BLUGGBBKIXTZQQ-SFHVURJKSA-N 2 0 293.499 2.526 20 0 CFADRP C[N@@H+]1CCC[C@H](CN2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001208612353 769911042 /nfs/dbraw/zinc/91/10/42/769911042.db2.gz MVZGFGMXFVUFEV-XHSDSOJGSA-N 2 0 250.430 2.983 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCCCC(=O)OC)CC1 ZINC001167078290 769921991 /nfs/dbraw/zinc/92/19/91/769921991.db2.gz PXZTYULXYILBQS-UHFFFAOYSA-N 2 0 298.471 2.774 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2Cc2cnccc2N)c1 ZINC001209730300 770130577 /nfs/dbraw/zinc/13/05/77/770130577.db2.gz FZYSXQJNPYDXMS-KRWDZBQOSA-N 2 0 283.375 2.840 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)[C@@H]1CC[NH3+] ZINC000721469751 770532110 /nfs/dbraw/zinc/53/21/10/770532110.db2.gz XJXBBITXGFRAIK-YVECIDJPSA-N 2 0 294.361 2.546 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@H]1CC[NH3+] ZINC000721469742 770532333 /nfs/dbraw/zinc/53/23/33/770532333.db2.gz XJXBBITXGFRAIK-VOAKCMCISA-N 2 0 294.361 2.546 20 0 CFADRP Cl/C=C\C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000588411433 770560863 /nfs/dbraw/zinc/56/08/63/770560863.db2.gz QFMVLWKDZCBFSF-KXFIGUGUSA-N 2 0 286.847 2.563 20 0 CFADRP CC[N@H+](CCn1ccnc1)Cc1ccc(F)c(OC)c1 ZINC001204562204 770581089 /nfs/dbraw/zinc/58/10/89/770581089.db2.gz FGNXUULJHSGIJI-UHFFFAOYSA-N 2 0 277.343 2.553 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723615417 770618756 /nfs/dbraw/zinc/61/87/56/770618756.db2.gz PHQAFAPLYFYMSU-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723617567 770619792 /nfs/dbraw/zinc/61/97/92/770619792.db2.gz CREMADMHGHYHPO-HLLBOEOZSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)c1 ZINC000723846806 770683077 /nfs/dbraw/zinc/68/30/77/770683077.db2.gz ZUPXBCVAFDLOSL-UHFFFAOYSA-N 2 0 275.440 2.895 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1CC[NH3+] ZINC000723891321 770708475 /nfs/dbraw/zinc/70/84/75/770708475.db2.gz NCYDHKVQAMXSNC-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723922904 770714131 /nfs/dbraw/zinc/71/41/31/770714131.db2.gz QZIVOVHYSKZLJL-GRYCIOLGSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]1CC[C@@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000399178821 770720630 /nfs/dbraw/zinc/72/06/30/770720630.db2.gz KTDCCMYZNQQBKY-KBAYOESNSA-N 2 0 287.451 2.554 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723978450 770731994 /nfs/dbraw/zinc/73/19/94/770731994.db2.gz GZHKMNBXUUNFDL-WBVHZDCISA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@H]1CCCOC1 ZINC000724015784 770753472 /nfs/dbraw/zinc/75/34/72/770753472.db2.gz WYOFXVSZADVVIH-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CC[NH+](CC2CCCCC2)CC1 ZINC001207276490 770873462 /nfs/dbraw/zinc/87/34/62/770873462.db2.gz YEFLPWVZSKAHKA-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP COc1cccc2cc(C[NH2+]CCCC[NH+](C)C)oc21 ZINC000045598315 770915433 /nfs/dbraw/zinc/91/54/33/770915433.db2.gz XRTYXVIKSRCIIX-UHFFFAOYSA-N 2 0 276.380 2.873 20 0 CFADRP CCCc1cc(-n2cccc2C[NH3+])nc(CCC)n1 ZINC001167585837 770941519 /nfs/dbraw/zinc/94/15/19/770941519.db2.gz FWBXBRACQAMEEN-UHFFFAOYSA-N 2 0 258.369 2.631 20 0 CFADRP [NH3+]Cc1cccn1-c1ccc(SC2CC[NH2+]CC2)cc1 ZINC001167600298 770966266 /nfs/dbraw/zinc/96/62/66/770966266.db2.gz PVNPXHKYJFQGIR-UHFFFAOYSA-N 2 0 287.432 2.780 20 0 CFADRP CCCCC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167619497 773191977 /nfs/dbraw/zinc/19/19/77/773191977.db2.gz FGBRUWJXLCYGDT-MRXNPFEDSA-N 2 0 297.487 2.537 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721541996 775142925 /nfs/dbraw/zinc/14/29/25/775142925.db2.gz PYKVLSMNSFVLGS-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721549341 775151231 /nfs/dbraw/zinc/15/12/31/775151231.db2.gz JUFHITAXNZSIQX-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721549343 775151621 /nfs/dbraw/zinc/15/16/21/775151621.db2.gz JUFHITAXNZSIQX-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721552731 775158188 /nfs/dbraw/zinc/15/81/88/775158188.db2.gz BKOWTNBDTWJFNR-GJZGRUSLSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224990644 775326428 /nfs/dbraw/zinc/32/64/28/775326428.db2.gz DDIPTPZRODZATO-HZPDHXFCSA-N 2 0 291.439 2.575 20 0 CFADRP CCCC[NH+](CCCC)CCCO[C@@H]1C[NH2+][C@@H]1C ZINC001217910569 775368979 /nfs/dbraw/zinc/36/89/79/775368979.db2.gz WKGXBXGTVKQONP-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000721603079 775426414 /nfs/dbraw/zinc/42/64/14/775426414.db2.gz MXWBHNRSVYTLPJ-HZSPNIEDSA-N 2 0 256.434 2.510 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721607114 775427340 /nfs/dbraw/zinc/42/73/40/775427340.db2.gz UCAANTXQLSFZLO-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721621695 775447629 /nfs/dbraw/zinc/44/76/29/775447629.db2.gz VTNJZNAEFBGHBP-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[N@@H+](C2CCC(C(F)(F)F)CC2)C[C@H]1C[NH3+] ZINC000708839395 775481666 /nfs/dbraw/zinc/48/16/66/775481666.db2.gz NELLIKDQEAHGSB-DMOGRIERSA-N 2 0 264.335 2.634 20 0 CFADRP C[C@H]([NH3+])c1ccc(OC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001218105842 775484229 /nfs/dbraw/zinc/48/42/29/775484229.db2.gz ACSDYYPDIGSCGY-LBPRGKRZSA-N 2 0 260.381 2.617 20 0 CFADRP C[C@H]1C[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C[C@H]1C[NH3+] ZINC000708852621 775519090 /nfs/dbraw/zinc/51/90/90/775519090.db2.gz KTJSUGDTFRSUSU-WDEREUQCSA-N 2 0 277.799 2.848 20 0 CFADRP c1cncc([C@@H]2CCCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC001207437225 775662554 /nfs/dbraw/zinc/66/25/54/775662554.db2.gz FBVZJHIROULLOY-INIZCTEOSA-N 2 0 259.397 2.608 20 0 CFADRP CSc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC000311230419 775796276 /nfs/dbraw/zinc/79/62/76/775796276.db2.gz QXCGJYVPUOKVIM-CQSZACIVSA-N 2 0 264.438 2.969 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1(Cl)CC1 ZINC000695638981 775900827 /nfs/dbraw/zinc/90/08/27/775900827.db2.gz QBVKNKDKBXJVKX-LLVKDONJSA-N 2 0 258.837 2.999 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1cc[nH+]c(N)c1 ZINC001226653147 775904809 /nfs/dbraw/zinc/90/48/09/775904809.db2.gz WPWSNVDAMVMLMI-RHSMWYFYSA-N 2 0 297.402 2.953 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001207478997 775924212 /nfs/dbraw/zinc/92/42/12/775924212.db2.gz ADWWFIDVLULJFQ-OAHLLOKOSA-N 2 0 256.409 2.932 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001207479484 775929745 /nfs/dbraw/zinc/92/97/45/775929745.db2.gz JOXGNJZJGTYKOB-HOTGVXAUSA-N 2 0 278.440 2.552 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001207479487 775930573 /nfs/dbraw/zinc/93/05/73/775930573.db2.gz JOXGNJZJGTYKOB-HZPDHXFCSA-N 2 0 278.440 2.552 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001207482950 775979116 /nfs/dbraw/zinc/97/91/16/775979116.db2.gz AAVZKKKAILHPGY-GOSISDBHSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000709377939 776074641 /nfs/dbraw/zinc/07/46/41/776074641.db2.gz VKKLAZACIKZCDD-UWVGGRQHSA-N 2 0 258.818 2.674 20 0 CFADRP c1cc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000709495564 776143504 /nfs/dbraw/zinc/14/35/04/776143504.db2.gz VSMRSOSSGBDJJU-QXULXFAOSA-N 2 0 257.381 2.502 20 0 CFADRP C[NH+](C)CC[C@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC001222504151 776160486 /nfs/dbraw/zinc/16/04/86/776160486.db2.gz NZEANQGRPIRYQV-KRWDZBQOSA-N 2 0 276.424 2.790 20 0 CFADRP Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)cnc1C1CC1 ZINC001222552632 776172309 /nfs/dbraw/zinc/17/23/09/776172309.db2.gz HGQRTUOYKJPSOB-UHFFFAOYSA-N 2 0 277.387 2.530 20 0 CFADRP Cc1nc2cc(O[C@H]3CC[N@@H+](C(C)C)C3)ccc2[nH]1 ZINC001228327397 776461314 /nfs/dbraw/zinc/46/13/14/776461314.db2.gz QTRLIOAQYUCVNQ-ZDUSSCGKSA-N 2 0 259.353 2.733 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c2ccccc21 ZINC000722327583 776473801 /nfs/dbraw/zinc/47/38/01/776473801.db2.gz CJDJXOQRLOCHEF-VZEFYGNVSA-N 2 0 272.392 2.678 20 0 CFADRP CCOC1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167824015 776542323 /nfs/dbraw/zinc/54/23/23/776542323.db2.gz AWGBQGKCRXEYAK-OAHLLOKOSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOCC1(C)C ZINC001167826134 776547774 /nfs/dbraw/zinc/54/77/74/776547774.db2.gz MTLNRBWVFDUZEW-CQSZACIVSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC001167827897 776555267 /nfs/dbraw/zinc/55/52/67/776555267.db2.gz ZDPKJKWONUTUJL-SJORKVTESA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001167833555 776570808 /nfs/dbraw/zinc/57/08/08/776570808.db2.gz CHURVXXOWJWGTG-HOTGVXAUSA-N 2 0 298.471 2.772 20 0 CFADRP CCN1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C(C)(C)C1 ZINC001167834709 776577755 /nfs/dbraw/zinc/57/77/55/776577755.db2.gz MCUPQRHPLADTNM-MRXNPFEDSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCN1CCCC1 ZINC001167836539 776585524 /nfs/dbraw/zinc/58/55/24/776585524.db2.gz FDWVKJNSGHZMPR-MRXNPFEDSA-N 2 0 269.477 2.525 20 0 CFADRP CC[C@@H]1COCC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167836771 776587080 /nfs/dbraw/zinc/58/70/80/776587080.db2.gz GWPNWNMBJKUGHW-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001167836798 776587580 /nfs/dbraw/zinc/58/75/80/776587580.db2.gz HJTUGUGCGXZNEP-KRWDZBQOSA-N 3 0 295.515 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOCC12CCC2 ZINC001167837525 776588386 /nfs/dbraw/zinc/58/83/86/776588386.db2.gz MDALITIHWWMTSQ-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)n1nc(C)c(C[NH2+]C)c1C ZINC001167837444 776588447 /nfs/dbraw/zinc/58/84/47/776588447.db2.gz KLFAGHKIZMIRLF-ZDUSSCGKSA-N 2 0 280.460 2.902 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001167838168 776588479 /nfs/dbraw/zinc/58/84/79/776588479.db2.gz RBRDLHGSJZKIOK-XHSDSOJGSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001167838165 776589166 /nfs/dbraw/zinc/58/91/66/776589166.db2.gz RBRDLHGSJZKIOK-ARFHVFGLSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001167838961 776593277 /nfs/dbraw/zinc/59/32/77/776593277.db2.gz XGHOXZQNIUWYNN-ZFWWWQNUSA-N 2 0 294.443 2.678 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001167841906 776609754 /nfs/dbraw/zinc/60/97/54/776609754.db2.gz UIQDWDMBNGFAKB-AWEZNQCLSA-N 2 0 291.439 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCOC2=O)CC1 ZINC001167842057 776609976 /nfs/dbraw/zinc/60/99/76/776609976.db2.gz WMELAPHMGMGHLD-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001167842441 776612681 /nfs/dbraw/zinc/61/26/81/776612681.db2.gz XIZSRJUPNCMBFE-HOTGVXAUSA-N 2 0 270.461 2.854 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)CC1 ZINC001207628541 776691131 /nfs/dbraw/zinc/69/11/31/776691131.db2.gz IUNREPZKCKYSJU-XHSDSOJGSA-N 2 0 260.425 2.616 20 0 CFADRP CCN(CC)c1ccc(C)c(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167884098 776716800 /nfs/dbraw/zinc/71/68/00/776716800.db2.gz QIUCTVMNRXFUGI-UHFFFAOYSA-N 2 0 291.443 2.516 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000453228673 776854331 /nfs/dbraw/zinc/85/43/31/776854331.db2.gz UTBBCEDBBDRHOU-QDIHITRGSA-N 2 0 278.440 2.551 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Oc1ccccc1C[NH+](C)C ZINC001229698926 776875234 /nfs/dbraw/zinc/87/52/34/776875234.db2.gz IODRBGDTPROZTO-CQSZACIVSA-N 2 0 264.413 2.857 20 0 CFADRP c1cncc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC001167917235 776894448 /nfs/dbraw/zinc/89/44/48/776894448.db2.gz LHYZPCKGBWWPKU-BCDXTJNWSA-N 2 0 285.435 2.682 20 0 CFADRP CC[NH+](CC)C[C@H](C)Oc1ccc(F)cc1C[NH+](C)C ZINC001229854385 776905180 /nfs/dbraw/zinc/90/51/80/776905180.db2.gz MQSONCKGKHFDDQ-ZDUSSCGKSA-N 2 0 282.403 2.996 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+]([C@H]2C[C@H]3C[C@H]3C2)C2CCOCC2)CC1 ZINC001167919023 776918540 /nfs/dbraw/zinc/91/85/40/776918540.db2.gz QOFBKAVOMPMMLT-COBZZHBQSA-N 2 0 278.440 2.536 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C2CCOCC2)CC1 ZINC001167919024 776918553 /nfs/dbraw/zinc/91/85/53/776918553.db2.gz QOFBKAVOMPMMLT-XMPIMCIVSA-N 2 0 278.440 2.536 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709971973 776949625 /nfs/dbraw/zinc/94/96/25/776949625.db2.gz QLNIVPXFDLCZSS-PBHICJAKSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709971099 776949797 /nfs/dbraw/zinc/94/97/97/776949797.db2.gz MJWFUWSRGQBADB-WMLDXEAASA-N 2 0 276.399 2.832 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000338324222 776952512 /nfs/dbraw/zinc/95/25/12/776952512.db2.gz OQSCJKWSDZHNPR-DLBZAZTESA-N 2 0 288.435 2.844 20 0 CFADRP CC[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2CN)C1 ZINC000721639085 777225537 /nfs/dbraw/zinc/22/55/37/777225537.db2.gz GORKQOJMLKGEOS-XOKHGSTOSA-N 2 0 258.409 2.951 20 0 CFADRP CC(C)Oc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001231532497 777253780 /nfs/dbraw/zinc/25/37/80/777253780.db2.gz DKTHQTCMEFOFMS-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(O)ccc3C)(C1)CCC2 ZINC001277544813 777288991 /nfs/dbraw/zinc/28/89/91/777288991.db2.gz AEWNABOEKMNXHX-DLBZAZTESA-N 2 0 274.408 2.855 20 0 CFADRP CCCCC[NH+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014368 777412674 /nfs/dbraw/zinc/41/26/74/777412674.db2.gz PABMWDANAQVNSC-UHFFFAOYSA-N 2 0 286.423 2.871 20 0 CFADRP c1c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)[nH]c2cc[nH+]cc12 ZINC001232015833 777414211 /nfs/dbraw/zinc/41/42/11/777414211.db2.gz MUTRWYVDSSRWIU-INIZCTEOSA-N 2 0 294.358 2.611 20 0 CFADRP CO[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232016173 777414422 /nfs/dbraw/zinc/41/44/22/777414422.db2.gz SODYUONVALRVJR-AWEZNQCLSA-N 2 0 259.353 2.564 20 0 CFADRP C[N@@H+]1CCN(Cc2cc3c[nH+]ccc3[nH]2)C2(CCCC2)C1 ZINC001232017874 777414601 /nfs/dbraw/zinc/41/46/01/777414601.db2.gz AHYIERGAZICCLA-UHFFFAOYSA-N 2 0 284.407 2.623 20 0 CFADRP c1c(C[NH+]2CCC3(CCCOC3)CC2)[nH]c2cc[nH+]cc12 ZINC001232017322 777415008 /nfs/dbraw/zinc/41/50/08/777415008.db2.gz PTTIREYIDQBKEV-UHFFFAOYSA-N 2 0 285.391 2.956 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@H]3CCO[C@H]3C1)C2 ZINC001167986482 777477060 /nfs/dbraw/zinc/47/70/60/777477060.db2.gz FRSQXTGBVVEWAM-WKUFJEKOSA-N 2 0 290.451 2.503 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204748673 777481680 /nfs/dbraw/zinc/48/16/80/777481680.db2.gz OZNAUKUIVRZNCX-CVEARBPZSA-N 2 0 268.445 2.809 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC001232279178 777506797 /nfs/dbraw/zinc/50/67/97/777506797.db2.gz OAMZNGRTGOUVJO-UHFFFAOYSA-N 2 0 299.418 2.714 20 0 CFADRP Cc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)cc(C)[nH+]1 ZINC001167990886 777520705 /nfs/dbraw/zinc/52/07/05/777520705.db2.gz AVIYHZDITGTAKU-UHFFFAOYSA-N 2 0 258.300 2.869 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@@]13CCOC3)C2 ZINC001167994959 777527024 /nfs/dbraw/zinc/52/70/24/777527024.db2.gz ROHUHGBIZHVLNM-WFFDWFOESA-N 2 0 290.451 2.647 20 0 CFADRP CO[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167994748 777527076 /nfs/dbraw/zinc/52/70/76/777527076.db2.gz MZQUBNDPHAMLOD-UJJTZGENSA-N 2 0 292.467 2.893 20 0 CFADRP CCC1(O)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994527 777527694 /nfs/dbraw/zinc/52/76/94/777527694.db2.gz HRTOGJYFEWWKSR-SJPCQFCGSA-N 2 0 292.467 2.629 20 0 CFADRP C[C@@H]1CC([NH2+]C(C)(C)CO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006296 777580200 /nfs/dbraw/zinc/58/02/00/777580200.db2.gz MUXXDULACHEBPY-HUUCEWRRSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006715 777581225 /nfs/dbraw/zinc/58/12/25/777581225.db2.gz OJQURJSEMUENMG-MVJTYMMSSA-N 2 0 288.435 2.807 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000339096388 777583660 /nfs/dbraw/zinc/58/36/60/777583660.db2.gz MNBIPTGYUCLVNV-VQHPVUNQSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+](Cc1cc2ccoc2cn1)CC1CC[NH+](C)CC1 ZINC001232550924 777598192 /nfs/dbraw/zinc/59/81/92/777598192.db2.gz LEYXUVZQJNDLMC-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@H]2C1 ZINC001232640261 777627849 /nfs/dbraw/zinc/62/78/49/777627849.db2.gz LNUAGFKKIYYZRS-QZTJIDSGSA-N 2 0 284.447 2.949 20 0 CFADRP C[C@H]1CC(n2cc(C[NH3+])cn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012976 777628565 /nfs/dbraw/zinc/62/85/65/777628565.db2.gz GNYBKVMUJHTMOY-GJZGRUSLSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@H](CO)C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168014571 777642651 /nfs/dbraw/zinc/64/26/51/777642651.db2.gz LYGDSTCYZBENCS-ARFHVFGLSA-N 2 0 290.451 2.646 20 0 CFADRP C[C@@H]1CC([NH2+]CCCC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015206 777647440 /nfs/dbraw/zinc/64/74/40/777647440.db2.gz PNFOUHIWUDGKOG-HZPDHXFCSA-N 3 0 289.467 2.757 20 0 CFADRP CC[NH+](CC)C1CCN(Cc2ccc(CCO)cc2)CC1 ZINC001232778056 777662052 /nfs/dbraw/zinc/66/20/52/777662052.db2.gz REZORXWDRQPSSD-UHFFFAOYSA-N 2 0 290.451 2.528 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@H]2C1 ZINC001232913895 777720589 /nfs/dbraw/zinc/72/05/89/777720589.db2.gz YFHGKJSQGPMIPP-QZTJIDSGSA-N 2 0 295.430 2.861 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3cc4cccnc4s3)C2)CC1 ZINC001233349549 777905946 /nfs/dbraw/zinc/90/59/46/777905946.db2.gz XODQEXVJEYZBHZ-UHFFFAOYSA-N 2 0 287.432 2.824 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CCO1 ZINC001168083900 777981530 /nfs/dbraw/zinc/98/15/30/777981530.db2.gz NSHSEMXTIUGXQZ-KQTLUZQSSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001168086396 777992981 /nfs/dbraw/zinc/99/29/81/777992981.db2.gz FSYRVHUJSULOQZ-CHWSQXEVSA-N 2 0 268.445 2.795 20 0 CFADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168092124 778020210 /nfs/dbraw/zinc/02/02/10/778020210.db2.gz FDNXELMVLYHGGH-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168092861 778025942 /nfs/dbraw/zinc/02/59/42/778025942.db2.gz JNZCCCRIMFFUKQ-GDBMZVCRSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001168102556 778045992 /nfs/dbraw/zinc/04/59/92/778045992.db2.gz GOEYCWSVAUEGLR-GOEBONIOSA-N 2 0 266.429 2.504 20 0 CFADRP CC[C@H](C)[N@@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277808598 778082084 /nfs/dbraw/zinc/08/20/84/778082084.db2.gz ZUXBXLQPQVHUHV-IRXDYDNUSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC001168143685 778154597 /nfs/dbraw/zinc/15/45/97/778154597.db2.gz QMHQHGHSDHAOBG-WMLDXEAASA-N 2 0 285.391 2.872 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc3c1CC[NH+](C)C3)C2 ZINC001234420556 778221884 /nfs/dbraw/zinc/22/18/84/778221884.db2.gz UOCKYGXVGLAQMQ-MUJYYYPQSA-N 2 0 286.419 2.679 20 0 CFADRP CC1(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CC[NH2+]CC1 ZINC001168185022 778226614 /nfs/dbraw/zinc/22/66/14/778226614.db2.gz AGKHUUSGXPWIBT-HNNXBMFYSA-N 2 0 259.397 2.665 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168230287 778260296 /nfs/dbraw/zinc/26/02/96/778260296.db2.gz LNGBOYKZKAASLL-QGZVFWFLSA-N 2 0 288.435 2.626 20 0 CFADRP C[N@@H+]1CCC2(C1)CC[NH+](CCCOc1ccccc1)CC2 ZINC001277870625 778268724 /nfs/dbraw/zinc/26/87/24/778268724.db2.gz WAKHWZLQXBVRQS-UHFFFAOYSA-N 2 0 288.435 2.873 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234970551 778343292 /nfs/dbraw/zinc/34/32/92/778343292.db2.gz JDCJKFIWHQDPTK-GVDBMIGSSA-N 2 0 280.456 2.679 20 0 CFADRP CCOc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979805 778345393 /nfs/dbraw/zinc/34/53/93/778345393.db2.gz SBEAUWGEMNKWEA-IYBDPMFKSA-N 2 0 296.414 2.890 20 0 CFADRP Clc1cccc(CCN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234994160 778347453 /nfs/dbraw/zinc/34/74/53/778347453.db2.gz PTARUSOWLSRFCT-INIZCTEOSA-N 2 0 278.827 2.958 20 0 CFADRP Cc1cccc(F)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234997742 778348019 /nfs/dbraw/zinc/34/80/19/778348019.db2.gz FYFCOCZVORNAAL-INIZCTEOSA-N 2 0 262.372 2.710 20 0 CFADRP CC[N@H+]([C@@H]1Cc2ccc(OC)cc2C1)C1CCN(C)CC1 ZINC001168272912 778355407 /nfs/dbraw/zinc/35/54/07/778355407.db2.gz JOZMZGOBVAOQNG-QGZVFWFLSA-N 2 0 288.435 2.579 20 0 CFADRP Cc1cc(CN2CCC3(C[NH2+]C3)C2)cc(C)c1Cl ZINC001235027230 778358978 /nfs/dbraw/zinc/35/89/78/778358978.db2.gz YKZLFXIDVCJTLN-UHFFFAOYSA-N 2 0 264.800 2.752 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235033495 778360502 /nfs/dbraw/zinc/36/05/02/778360502.db2.gz PGOKXIQLEFZSOG-OAHLLOKOSA-N 2 0 264.438 2.886 20 0 CFADRP CCOc1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1CC ZINC001235034053 778360926 /nfs/dbraw/zinc/36/09/26/778360926.db2.gz SXXPSMYHDRPRAS-GOSISDBHSA-N 2 0 288.435 2.833 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1C ZINC001235094432 778378412 /nfs/dbraw/zinc/37/84/12/778378412.db2.gz XKJWMXOCBVWVNF-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCOc1ccc(C)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC001235106459 778382567 /nfs/dbraw/zinc/38/25/67/778382567.db2.gz OQHBMRNBSJXQLM-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCCc1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC001235110872 778384879 /nfs/dbraw/zinc/38/48/79/778384879.db2.gz NJRPNLIJWODMSW-UHFFFAOYSA-N 2 0 258.409 2.967 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CNCCO3)C2)c(C)c1 ZINC001235113543 778386579 /nfs/dbraw/zinc/38/65/79/778386579.db2.gz DIJYESSONOIOQS-SFHVURJKSA-N 2 0 288.435 2.566 20 0 CFADRP CCN1CCc2ccc(C[N@@H+]3CCCC34CC[NH2+]CC4)cc21 ZINC001235146056 778396501 /nfs/dbraw/zinc/39/65/01/778396501.db2.gz YDYCURDNQIGRKT-UHFFFAOYSA-N 2 0 299.462 2.787 20 0 CFADRP c1ccc2c(c1)CCC21CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001235152398 778399014 /nfs/dbraw/zinc/39/90/14/778399014.db2.gz MPZHAPWKNYDXDI-INIZCTEOSA-N 2 0 284.447 2.966 20 0 CFADRP C[NH+](C)CC1(CN2CCCC[C@]23CCC[NH2+]C3)CCCC1 ZINC001235175509 778403652 /nfs/dbraw/zinc/40/36/52/778403652.db2.gz WVTXHBZEMIMDCS-GOSISDBHSA-N 2 0 293.499 2.717 20 0 CFADRP c1ccc(CCCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235186921 778406608 /nfs/dbraw/zinc/40/66/08/778406608.db2.gz PIIJQXHXIUDJAD-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP C[NH+](C)C1CCC([N@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001168294662 778410716 /nfs/dbraw/zinc/41/07/16/778410716.db2.gz AKOGLWNMFQTGHI-UHFFFAOYSA-N 3 0 281.488 2.843 20 0 CFADRP C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298377 778411524 /nfs/dbraw/zinc/41/15/24/778411524.db2.gz QBTMXNRAFAIRRV-GTPINHCMSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168295255 778411810 /nfs/dbraw/zinc/41/18/10/778411810.db2.gz ZOYCYICZIMELKS-MRLCAUJQSA-N 3 0 295.515 2.817 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001168297568 778412070 /nfs/dbraw/zinc/41/20/70/778412070.db2.gz CZOOGRKPSHQHRJ-UHFFFAOYSA-N 2 0 297.487 2.860 20 0 CFADRP CC(=O)c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168300359 778416143 /nfs/dbraw/zinc/41/61/43/778416143.db2.gz VODKNMLXLBRYCY-UHFFFAOYSA-N 2 0 274.408 2.852 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc4oc5ccccc5c4c3)C[C@H]21 ZINC001235210518 778416994 /nfs/dbraw/zinc/41/69/94/778416994.db2.gz LIXYDLOZUHHRLI-HWWDLCQESA-N 2 0 278.355 2.975 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ccc(O)cc3C2)CC1 ZINC001168304263 778418435 /nfs/dbraw/zinc/41/84/35/778418435.db2.gz RHZUBBFBDOIGHP-AQFXKWCLSA-N 2 0 288.435 2.712 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cncn2CC2CCC2)CC1 ZINC001168305580 778419711 /nfs/dbraw/zinc/41/97/11/778419711.db2.gz OGBRSVPZFKWUGS-UHFFFAOYSA-N 2 0 290.455 2.646 20 0 CFADRP Cc1cc(C)cc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235223948 778420769 /nfs/dbraw/zinc/42/07/69/778420769.db2.gz HNXMBJQEMFUSKG-GJZGRUSLSA-N 2 0 298.352 2.887 20 0 CFADRP CCC(=O)C(C)(C)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233187 778423570 /nfs/dbraw/zinc/42/35/70/778423570.db2.gz OORRCRLYIAEMPP-OAHLLOKOSA-N 2 0 280.456 2.846 20 0 CFADRP OCc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235234363 778424097 /nfs/dbraw/zinc/42/40/97/778424097.db2.gz YDDXCRGHOQVMSS-SFHVURJKSA-N 2 0 288.435 2.533 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235233832 778424244 /nfs/dbraw/zinc/42/42/44/778424244.db2.gz UFMSLPUYLSJSFW-HNNXBMFYSA-N 2 0 290.455 2.635 20 0 CFADRP CCOC(=O)C[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168313397 778425321 /nfs/dbraw/zinc/42/53/21/778425321.db2.gz BJOXWIGESTYGGO-QQFBHYJXSA-N 2 0 296.455 2.524 20 0 CFADRP COc1ccoc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236289 778425506 /nfs/dbraw/zinc/42/55/06/778425506.db2.gz DOQOSCDXOGEKHL-CQSZACIVSA-N 2 0 278.396 2.642 20 0 CFADRP COc1cccc2c1OC[C@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168314259 778425544 /nfs/dbraw/zinc/42/55/44/778425544.db2.gz ADTPXIXCEUGFMG-SSDMNJCBSA-N 2 0 290.407 2.591 20 0 CFADRP COc1cccc2c1OC[C@@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168314258 778425819 /nfs/dbraw/zinc/42/58/19/778425819.db2.gz ADTPXIXCEUGFMG-PIMMBPRGSA-N 2 0 290.407 2.591 20 0 CFADRP Cc1nc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1F ZINC001235236951 778426234 /nfs/dbraw/zinc/42/62/34/778426234.db2.gz IBWYASAZLRHVBA-QGZVFWFLSA-N 2 0 291.414 2.883 20 0 CFADRP C[NH+](C)C1CCC([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001168315497 778426579 /nfs/dbraw/zinc/42/65/79/778426579.db2.gz WQESWGZMOBEIKJ-VTXSZYRJSA-N 2 0 272.383 2.836 20 0 CFADRP CCn1ccc2c1cccc2CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235238854 778426807 /nfs/dbraw/zinc/42/68/07/778426807.db2.gz BFHFTDDDMGHVRS-CRAIPNDOSA-N 2 0 283.419 2.974 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2(C(=O)OC(C)(C)C)CC2)CC1 ZINC001168316508 778427872 /nfs/dbraw/zinc/42/78/72/778427872.db2.gz ZGLMHMWIWZCTNC-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001168324348 778432181 /nfs/dbraw/zinc/43/21/81/778432181.db2.gz MKOYEAWGXYYBAB-VOMCLLRMSA-N 2 0 264.335 2.743 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCC(c3ncccn3)CC2)CC1 ZINC001168324206 778432240 /nfs/dbraw/zinc/43/22/40/778432240.db2.gz KDBCIRAIHCANCZ-UHFFFAOYSA-N 2 0 288.439 2.529 20 0 CFADRP CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])c1 ZINC001235256275 778434733 /nfs/dbraw/zinc/43/47/33/778434733.db2.gz RDFZXGZRYLBJLT-BPUTZDHNSA-N 2 0 258.409 2.906 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272490 778441068 /nfs/dbraw/zinc/44/10/68/778441068.db2.gz QASKZARJBRKDMY-WBVHZDCISA-N 2 0 281.403 2.661 20 0 CFADRP [NH3+]Cc1cnc2c(ccn2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168355983 778455717 /nfs/dbraw/zinc/45/57/17/778455717.db2.gz HRXKBQSYUMNQLX-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@H](C2C[NH2+]C2)C1)CC(C)(C)C ZINC001235336791 778457825 /nfs/dbraw/zinc/45/78/25/778457825.db2.gz BBDGILUPGQZWBM-KBPBESRZSA-N 2 0 252.446 2.990 20 0 CFADRP CC1=C[C@@H](C)[C@H](C[NH+]2CCC(C3C[NH2+]C3)CC2)CC1 ZINC001235336220 778458962 /nfs/dbraw/zinc/45/89/62/778458962.db2.gz UHZYNHNHPGSUQG-ZBFHGGJFSA-N 2 0 262.441 2.910 20 0 CFADRP CCCOc1ccccc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235336415 778459629 /nfs/dbraw/zinc/45/96/29/778459629.db2.gz XRKOVDSPOJCLLK-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP c1cc(C2CC2)ccc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235340987 778460098 /nfs/dbraw/zinc/46/00/98/778460098.db2.gz WTKWLBZXEBJIDM-UHFFFAOYSA-N 2 0 270.420 2.995 20 0 CFADRP CCn1ccc2c1cccc2CN(C)[C@H]1CCC[NH2+]C1 ZINC001235342040 778460619 /nfs/dbraw/zinc/46/06/19/778460619.db2.gz GSUHHKISKIBBKV-HNNXBMFYSA-N 2 0 271.408 2.845 20 0 CFADRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001277939088 778466029 /nfs/dbraw/zinc/46/60/29/778466029.db2.gz YORGPWSZIIVMEJ-CABCVRRESA-N 2 0 299.503 2.589 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873226904 778470779 /nfs/dbraw/zinc/47/07/79/778470779.db2.gz DRLMPUWPBDIYKU-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](CCCC1CCCC1)C2 ZINC001235409018 778479756 /nfs/dbraw/zinc/47/97/56/778479756.db2.gz VRKDEYFSLBIBLG-CVEARBPZSA-N 2 0 268.420 2.980 20 0 CFADRP CNc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235420690 778485530 /nfs/dbraw/zinc/48/55/30/778485530.db2.gz AIVCOTMHHHAKKV-IAGOWNOFSA-N 2 0 287.451 2.940 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)CCN2 ZINC001235420779 778486170 /nfs/dbraw/zinc/48/61/70/778486170.db2.gz BCPQKTAFCIEQAG-HOTGVXAUSA-N 2 0 299.462 2.866 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC001235430021 778486684 /nfs/dbraw/zinc/48/66/84/778486684.db2.gz VYGTWODCDBIKHK-SJORKVTESA-N 2 0 288.435 2.912 20 0 CFADRP Nc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430287 778487294 /nfs/dbraw/zinc/48/72/94/778487294.db2.gz WNYQBVUBPKOTSK-GJZGRUSLSA-N 2 0 291.414 2.620 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCCC2)CC1CC[NH2+]CC1 ZINC001235433069 778487956 /nfs/dbraw/zinc/48/79/56/778487956.db2.gz GBKJFHGSQPMPCH-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP Oc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432408 778488332 /nfs/dbraw/zinc/48/83/32/778488332.db2.gz XLWKEWKPCHEDMF-UONOGXRCSA-N 2 0 292.398 2.743 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697877664 778491626 /nfs/dbraw/zinc/49/16/26/778491626.db2.gz MFTVNPBKSGHPQQ-STQMWFEESA-N 2 0 252.377 2.687 20 0 CFADRP C[C@@H](CC[NH2+]Cc1cccc2cnccc21)[NH+](C)C ZINC000697903976 778517284 /nfs/dbraw/zinc/51/72/84/778517284.db2.gz MQXRSIUKLSMJKA-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3ccncc3)C[C@@H]2C1 ZINC001235621829 778524593 /nfs/dbraw/zinc/52/45/93/778524593.db2.gz VIBCKKMOZIVTRI-HDICACEKSA-N 2 0 293.414 2.742 20 0 CFADRP C(CN1CCCC[C@H]1CC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC001235677724 778533958 /nfs/dbraw/zinc/53/39/58/778533958.db2.gz IDQZLUOIKISCEJ-MSOLQXFVSA-N 2 0 293.499 2.859 20 0 CFADRP CCN1CCc2ccc(C[NH+]3CCC(C[NH2+]C)CC3)cc21 ZINC001235680284 778534384 /nfs/dbraw/zinc/53/43/84/778534384.db2.gz UKVUDSYQYOCLHK-UHFFFAOYSA-N 2 0 287.451 2.500 20 0 CFADRP CC1(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001235688402 778536945 /nfs/dbraw/zinc/53/69/45/778536945.db2.gz PPPLWWFBQHDDIQ-INIZCTEOSA-N 2 0 292.398 2.669 20 0 CFADRP Cc1ccccc1O[C@H]1CCC[N@H+](CCCCC[NH3+])C1 ZINC001235691587 778539358 /nfs/dbraw/zinc/53/93/58/778539358.db2.gz KXOMUPKUGUHMNE-INIZCTEOSA-N 2 0 276.424 2.967 20 0 CFADRP c1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc2c1NCC2 ZINC001235705933 778543334 /nfs/dbraw/zinc/54/33/34/778543334.db2.gz OYKPFYGYDHLWEM-UHFFFAOYSA-N 2 0 299.462 2.866 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC001235710157 778543471 /nfs/dbraw/zinc/54/34/71/778543471.db2.gz NEFMUCSLIAIIJI-UHFFFAOYSA-N 2 0 280.387 2.546 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1C ZINC001235714617 778545984 /nfs/dbraw/zinc/54/59/84/778545984.db2.gz ZGJSFPMBAMWTEL-UHFFFAOYSA-N 2 0 258.409 2.797 20 0 CFADRP COc1cc(C)ccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235713831 778546161 /nfs/dbraw/zinc/54/61/61/778546161.db2.gz HIPIYDRQTZEEIL-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cccc(CC[N@@H+](C)Cc2ccc3n2CC[NH2+]C3)c1 ZINC001235839136 778575000 /nfs/dbraw/zinc/57/50/00/778575000.db2.gz KQSCKMOJRLSQGE-UHFFFAOYSA-N 2 0 283.419 2.574 20 0 CFADRP c1cc2c(c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c1)CCN2 ZINC001235888508 778591284 /nfs/dbraw/zinc/59/12/84/778591284.db2.gz QFDKZJHGIDVVCS-QGZVFWFLSA-N 2 0 285.435 2.619 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235929413 778613823 /nfs/dbraw/zinc/61/38/23/778613823.db2.gz OIQAQWYJZIXSLU-ZBFHGGJFSA-N 2 0 296.414 2.890 20 0 CFADRP c1ccc2c(c1)cccc2C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929382 778613880 /nfs/dbraw/zinc/61/38/80/778613880.db2.gz NNNQVEGLKFTLLJ-WBVHZDCISA-N 2 0 266.388 2.881 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235938868 778618367 /nfs/dbraw/zinc/61/83/67/778618367.db2.gz MANBWIXXVQYUMS-NVXWUHKLSA-N 2 0 288.435 2.824 20 0 CFADRP CCCc1ccc(C[N@H+](CCOC)C2CC[NH2+]CC2)cc1 ZINC001235945010 778620135 /nfs/dbraw/zinc/62/01/35/778620135.db2.gz QBRILUHAKWWBSQ-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP CCOc1ccc(C)cc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC001235951772 778624076 /nfs/dbraw/zinc/62/40/76/778624076.db2.gz SLBQXYQNSVRMDE-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH2+]2 ZINC000721883678 778625538 /nfs/dbraw/zinc/62/55/38/778625538.db2.gz VFPDLVYWSIPTAS-GTDBDLECSA-N 2 0 280.456 2.699 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCc1cccc(Cl)c1)C2 ZINC001235958478 778627043 /nfs/dbraw/zinc/62/70/43/778627043.db2.gz FZJBBKLYGKMCIZ-AGGWBTHJSA-N 2 0 264.800 2.552 20 0 CFADRP CCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958472 778627130 /nfs/dbraw/zinc/62/71/30/778627130.db2.gz FRMMPWXUYZSGCG-SCAQPMJSSA-N 2 0 274.408 2.645 20 0 CFADRP c1ccc(CC[NH+]2CCC([NH2+]CC3CSC3)CC2)cc1 ZINC000698014654 778628270 /nfs/dbraw/zinc/62/82/70/778628270.db2.gz CLEIKEDUBHVUFS-UHFFFAOYSA-N 2 0 290.476 2.646 20 0 CFADRP CCC(CC)[N@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235959854 778628602 /nfs/dbraw/zinc/62/86/02/778628602.db2.gz LSKDZORUJYEPOY-UHFFFAOYSA-N 2 0 289.467 2.712 20 0 CFADRP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c2nccnc2c1 ZINC001168368791 778628735 /nfs/dbraw/zinc/62/87/35/778628735.db2.gz PKHJLYNHMOZAGZ-UHFFFAOYSA-N 2 0 296.418 2.594 20 0 CFADRP CCOc1ccc(C)c(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC001235960053 778629327 /nfs/dbraw/zinc/62/93/27/778629327.db2.gz UMFQHABUYRMCTA-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(OC)c1 ZINC001235963639 778630744 /nfs/dbraw/zinc/63/07/44/778630744.db2.gz WYSCXVPTEMUWAV-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001235976659 778636095 /nfs/dbraw/zinc/63/60/95/778636095.db2.gz BKDLJFIQVSCTFD-FUHWJXTLSA-N 2 0 270.420 2.922 20 0 CFADRP [NH3+][C@]12CC[C@H]1C[N@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001235976661 778636124 /nfs/dbraw/zinc/63/61/24/778636124.db2.gz BKDLJFIQVSCTFD-WMZOPIPTSA-N 2 0 270.420 2.922 20 0 CFADRP CC(C)(C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236005613 778650897 /nfs/dbraw/zinc/65/08/97/778650897.db2.gz KUYDEAPWBUEJAY-WBVHZDCISA-N 2 0 258.409 2.506 20 0 CFADRP CC(C)(O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001236006121 778650936 /nfs/dbraw/zinc/65/09/36/778650936.db2.gz NOYCZRBKKZCKRB-OAHLLOKOSA-N 2 0 268.445 2.534 20 0 CFADRP CCc1ccccc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236008276 778652844 /nfs/dbraw/zinc/65/28/44/778652844.db2.gz AEQKEQWPYYOUMG-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP COc1c(C)cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1C ZINC001236008962 778653028 /nfs/dbraw/zinc/65/30/28/778653028.db2.gz JVAXMYHRDXXWPI-UHFFFAOYSA-N 2 0 288.435 2.888 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@H+](CCC3C[NH2+]C3)C2)cc1 ZINC001236009001 778653057 /nfs/dbraw/zinc/65/30/57/778653057.db2.gz OVIBIIQNVNPHOX-HNNXBMFYSA-N 2 0 276.399 2.690 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001168372139 778692443 /nfs/dbraw/zinc/69/24/43/778692443.db2.gz UPKRQIDCEKSTPX-YJBOKZPZSA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236111135 778698747 /nfs/dbraw/zinc/69/87/47/778698747.db2.gz IPDGSNFUYWIESH-SFHVURJKSA-N 2 0 287.451 2.717 20 0 CFADRP CC1(C)C[NH+](Cc2cc3c(s2)C[NH2+]CC3)CC(C)(C)O1 ZINC001236153655 778720293 /nfs/dbraw/zinc/72/02/93/778720293.db2.gz KZARMHWNKHDGSR-UHFFFAOYSA-N 2 0 294.464 2.783 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccccc2C(C)(C)[NH3+])cn1 ZINC001236155966 778720469 /nfs/dbraw/zinc/72/04/69/778720469.db2.gz LLOBGZNZXVCFGI-UHFFFAOYSA-N 2 0 286.423 2.696 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2(CC2)C1 ZINC001236154290 778720535 /nfs/dbraw/zinc/72/05/35/778720535.db2.gz PLCDLTFGEFMXLW-ZDUSSCGKSA-N 2 0 256.393 2.707 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc(C3([NH3+])CCC3)cc2)cn1 ZINC001236153138 778720539 /nfs/dbraw/zinc/72/05/39/778720539.db2.gz PZTKERZAFYPUIN-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1CC1C[NH2+]C1 ZINC001236190959 778731469 /nfs/dbraw/zinc/73/14/69/778731469.db2.gz IIRBXVACAFVWCK-MRXNPFEDSA-N 2 0 255.365 2.524 20 0 CFADRP C[N@H+](C[C@@H]1CC1(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168387344 778765763 /nfs/dbraw/zinc/76/57/63/778765763.db2.gz FAJUMPZQVJZUSV-AWEZNQCLSA-N 2 0 250.430 2.839 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CO1 ZINC001236307624 778769778 /nfs/dbraw/zinc/76/97/78/778769778.db2.gz LTLSEAQJIWTTHY-KFWWJZLASA-N 2 0 266.429 2.613 20 0 CFADRP c1ccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccnc2c1 ZINC001236315271 778774026 /nfs/dbraw/zinc/77/40/26/778774026.db2.gz YTZUTSQECVYSQE-GASCZTMLSA-N 2 0 281.403 2.666 20 0 CFADRP Fc1ccc(F)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236314417 778774108 /nfs/dbraw/zinc/77/41/08/778774108.db2.gz DLAUFZJGIBFIBN-PHIMTYICSA-N 2 0 284.325 2.535 20 0 CFADRP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315700 778775835 /nfs/dbraw/zinc/77/58/35/778775835.db2.gz MQOSODZEYDAQQO-IYBDPMFKSA-N 2 0 288.435 2.905 20 0 CFADRP COc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236317343 778776415 /nfs/dbraw/zinc/77/64/15/778776415.db2.gz WDAJNPLEKRYKCF-OKILXGFUSA-N 2 0 299.418 2.608 20 0 CFADRP CSc1ncc(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321857 778778935 /nfs/dbraw/zinc/77/89/35/778778935.db2.gz RCZHJTYOHXHETL-OKILXGFUSA-N 2 0 291.464 2.543 20 0 CFADRP c1nc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2s1 ZINC001236321147 778779594 /nfs/dbraw/zinc/77/95/94/778779594.db2.gz GGVJJCAOBFSFKZ-OKILXGFUSA-N 2 0 287.432 2.728 20 0 CFADRP C[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001168392644 778779871 /nfs/dbraw/zinc/77/98/71/778779871.db2.gz REEKOWBHLREGRE-KGLIPLIRSA-N 2 0 250.430 2.981 20 0 CFADRP CC[NH+](CC)Cc1ccc(F)c(-c2cnc(C[NH3+])nc2)c1 ZINC001236325776 778782238 /nfs/dbraw/zinc/78/22/38/778782238.db2.gz NKBLGZGWIZCKAW-UHFFFAOYSA-N 2 0 288.370 2.583 20 0 CFADRP [NH3+][C@H]1CCc2ccc(-c3cccc4c3CC[NH2+]C4)cc21 ZINC001236356894 778790500 /nfs/dbraw/zinc/79/05/00/778790500.db2.gz DCZPEUDOEUDKMT-SFHVURJKSA-N 2 0 264.372 2.945 20 0 CFADRP CC(C)[N@H+](CCC[NH3+])[C@H]1CCc2cc(F)ccc2C1 ZINC001168399896 778798731 /nfs/dbraw/zinc/79/87/31/778798731.db2.gz FHKGGDGELUQBAG-INIZCTEOSA-N 2 0 264.388 2.742 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400375 778800249 /nfs/dbraw/zinc/80/02/49/778800249.db2.gz NHGXKVYDUOBLFX-GUYCJALGSA-N 2 0 276.399 2.614 20 0 CFADRP CCOc1cc(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)ccc1C ZINC001236411527 778806385 /nfs/dbraw/zinc/80/63/85/778806385.db2.gz NDOMBMUWMLFVDD-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CC1(C)CC[NH2+]CC1)CCC2 ZINC001236433347 778827142 /nfs/dbraw/zinc/82/71/42/778827142.db2.gz HBRDXJGEZUBHLG-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP [NH3+]Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001236434936 778827747 /nfs/dbraw/zinc/82/77/47/778827747.db2.gz ZRYCFFMTXYPFLL-SFHVURJKSA-N 2 0 288.435 2.926 20 0 CFADRP C[NH2+]CCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452341 778832597 /nfs/dbraw/zinc/83/25/97/778832597.db2.gz DZUHJRVEUYMJLZ-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP CCOCC[N@H+](Cc1cccc(CC)c1)C1CC[NH2+]CC1 ZINC001236462763 778835480 /nfs/dbraw/zinc/83/54/80/778835480.db2.gz WMECWRUAGJPKTM-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP CCOCC[N@H+](Cc1ccccc1CC)C1CC[NH2+]CC1 ZINC001236461647 778835549 /nfs/dbraw/zinc/83/55/49/778835549.db2.gz NYCMRXRZTAYFBL-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H](C)[NH2+][C@H](C)C3)cc21 ZINC001236583519 778885847 /nfs/dbraw/zinc/88/58/47/778885847.db2.gz YACMXVQDJZIROZ-HUUCEWRRSA-N 2 0 299.462 2.870 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN(C1CCC1)C1CC[NH2+]CC1 ZINC001236634050 778900087 /nfs/dbraw/zinc/90/00/87/778900087.db2.gz PEMIJJRPOVLFTQ-UHFFFAOYSA-N 2 0 293.499 2.905 20 0 CFADRP c1cc2c(c(C[N@H+](C3CCC3)C3CC[NH2+]CC3)c1)NCC2 ZINC001236649461 778903487 /nfs/dbraw/zinc/90/34/87/778903487.db2.gz YDJJCBDABCHVAL-UHFFFAOYSA-N 2 0 285.435 2.761 20 0 CFADRP [NH3+][C@H](CN([C@@H]1CC[NH2+]C1)C1CCCCC1)c1ccccc1 ZINC001236649817 778903770 /nfs/dbraw/zinc/90/37/70/778903770.db2.gz ZYWRTKGBDWLVIH-QZTJIDSGSA-N 2 0 287.451 2.683 20 0 CFADRP C[C@H](CO)C[N@@H+]1CCC[C@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277999008 778914125 /nfs/dbraw/zinc/91/41/25/778914125.db2.gz WNDXOPXZJAFPGC-WMZOPIPTSA-N 2 0 294.483 2.735 20 0 CFADRP CC[NH2+]CCN(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714381 778919015 /nfs/dbraw/zinc/91/90/15/778919015.db2.gz OAALVDHOQLSPHP-IYARVYRRSA-N 3 0 289.467 2.676 20 0 CFADRP CC[C@@H]([NH3+])C[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714925 778920010 /nfs/dbraw/zinc/92/00/10/778920010.db2.gz PMTUGHMFBJRNRC-KZNAEPCWSA-N 3 0 289.467 2.804 20 0 CFADRP Cc1cccc(C[N@H+](CCCC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236727031 778921416 /nfs/dbraw/zinc/92/14/16/778921416.db2.gz OXJRKLNPTBDOOD-IYARVYRRSA-N 3 0 289.467 2.806 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4occc43)C[C@@H]2C1 ZINC001236738023 778924664 /nfs/dbraw/zinc/92/46/64/778924664.db2.gz RAJJWIWGADNQOS-HIFRSBDPSA-N 2 0 270.376 2.816 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@@H]2CCC[NH2+]2)CC2CCCCC2)CC1 ZINC001236755830 778929563 /nfs/dbraw/zinc/92/95/63/778929563.db2.gz QZOSTGBHEMPKHJ-BZSNNMDCSA-N 2 0 293.499 2.891 20 0 CFADRP Cc1cc(F)cc(Cl)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236826977 778955228 /nfs/dbraw/zinc/95/52/28/778955228.db2.gz DMSPNCOUOMMCHK-ZBINZKHDSA-N 2 0 282.790 2.957 20 0 CFADRP CCC[N@H+](CCCc1cccc(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236830838 778957523 /nfs/dbraw/zinc/95/75/23/778957523.db2.gz OXUHZMWGOGWFII-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP CCC[N@H+](CCc1cccc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236832705 778957849 /nfs/dbraw/zinc/95/78/49/778957849.db2.gz XCCFVWUNHIERBG-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP CCC[N@@H+](Cc1cccc2c1ccn2C)C[C@H]1CC[NH2+]C1 ZINC001236836349 778960249 /nfs/dbraw/zinc/96/02/49/778960249.db2.gz VDYISBPSRZEOSB-HNNXBMFYSA-N 2 0 285.435 3.000 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836185 778961092 /nfs/dbraw/zinc/96/10/92/778961092.db2.gz SPIRGPIGFIGQTG-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[N@@H+](Cc1cc2ccccc2n1C)C[C@H]1CC[NH2+]C1 ZINC001236836512 778961127 /nfs/dbraw/zinc/96/11/27/778961127.db2.gz WPTCPUHXZPGRFE-HNNXBMFYSA-N 2 0 285.435 3.000 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)CCCN2)C[C@H]1CC[NH2+]C1 ZINC001236843840 778963409 /nfs/dbraw/zinc/96/34/09/778963409.db2.gz RIGPCVWJEPIIMN-INIZCTEOSA-N 2 0 287.451 2.866 20 0 CFADRP CCCC[C@H](CC)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236923978 778981371 /nfs/dbraw/zinc/98/13/71/778981371.db2.gz NKJGLBVAQCZRSA-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CC2(CN(CCC[NH+](C)C)C2)C1 ZINC001278049740 779007670 /nfs/dbraw/zinc/00/76/70/779007670.db2.gz PMUSWMOEPJIIDZ-QGZVFWFLSA-N 2 0 295.515 2.772 20 0 CFADRP FC1(C[N@@H+]2CCC3(C2)CCCCC3)CC[NH2+]CC1 ZINC001237204802 779048843 /nfs/dbraw/zinc/04/88/43/779048843.db2.gz PBSJMIAAENDPQD-UHFFFAOYSA-N 2 0 254.393 2.734 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H](N)C[C@H]1C ZINC001237204041 779049225 /nfs/dbraw/zinc/04/92/25/779049225.db2.gz PSJDWZQQAYCYCE-CABCVRRESA-N 2 0 284.444 2.702 20 0 CFADRP C[NH+]1CCC(C2CC[NH+](Cc3cccc(N)c3)CC2)CC1 ZINC001237221212 779052415 /nfs/dbraw/zinc/05/24/15/779052415.db2.gz HGJMLPNDKOWRTO-UHFFFAOYSA-N 2 0 287.451 2.823 20 0 CFADRP [NH3+]CCCCC[NH+]1CCC2(CCNc3ccccc32)CC1 ZINC001237320479 779074675 /nfs/dbraw/zinc/07/46/75/779074675.db2.gz WWHCDBNANISTRI-UHFFFAOYSA-N 2 0 287.451 2.965 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC001237379259 779085846 /nfs/dbraw/zinc/08/58/46/779085846.db2.gz ACJMTWSCEGWQDN-NVXWUHKLSA-N 2 0 288.435 2.886 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1C ZINC001237379261 779086262 /nfs/dbraw/zinc/08/62/62/779086262.db2.gz ACJMTWSCEGWQDN-RDJZCZTQSA-N 2 0 288.435 2.886 20 0 CFADRP COc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237383832 779089285 /nfs/dbraw/zinc/08/92/85/779089285.db2.gz RXRLBKWEWRUICG-FUHWJXTLSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)cc1O ZINC001237389355 779092474 /nfs/dbraw/zinc/09/24/74/779092474.db2.gz FYZNHOMSXBAVJX-HOCLYGCPSA-N 2 0 274.408 2.583 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)s1 ZINC001237391332 779093949 /nfs/dbraw/zinc/09/39/49/779093949.db2.gz KZICSXAGCGVKCT-DZGCQCFKSA-N 2 0 264.438 2.939 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1c1ccc(C(=O)OC)cc1 ZINC001237410164 779101188 /nfs/dbraw/zinc/10/11/88/779101188.db2.gz JQGPVQILUCKLBY-INIZCTEOSA-N 2 0 290.407 2.610 20 0 CFADRP Fc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ncccc12 ZINC001237414407 779102421 /nfs/dbraw/zinc/10/24/21/779102421.db2.gz LWGUAMBLIYPFQC-DYVFJYSZSA-N 2 0 299.393 2.948 20 0 CFADRP c1cc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2)n[nH]1 ZINC001237418283 779104467 /nfs/dbraw/zinc/10/44/67/779104467.db2.gz XRCOJXUHXXRYKO-IRXDYDNUSA-N 2 0 296.418 2.651 20 0 CFADRP CCc1n[nH]cc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001237651754 779156514 /nfs/dbraw/zinc/15/65/14/779156514.db2.gz WYHUZUHQIXECDN-UHFFFAOYSA-N 2 0 290.455 2.526 20 0 CFADRP COc1ccc(C)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001237712598 779166325 /nfs/dbraw/zinc/16/63/25/779166325.db2.gz CJHTXOFZPREHIB-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP COc1ccc(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001237713599 779167034 /nfs/dbraw/zinc/16/70/34/779167034.db2.gz MSKAXGZCMQSVDP-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095000 779171328 /nfs/dbraw/zinc/17/13/28/779171328.db2.gz SOQZXADIYAXYAV-CABCVRRESA-N 2 0 270.461 2.767 20 0 CFADRP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095009 779171720 /nfs/dbraw/zinc/17/17/20/779171720.db2.gz SOQZXADIYAXYAV-HUUCEWRRSA-N 2 0 270.461 2.767 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cnc(C4CC4)s3)C2)CC1 ZINC001237790913 779177912 /nfs/dbraw/zinc/17/79/12/779177912.db2.gz FJKCQFZYXJSURR-UHFFFAOYSA-N 2 0 291.464 2.938 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001168455181 779182593 /nfs/dbraw/zinc/18/25/93/779182593.db2.gz DGVISQCBORRPTI-CZUORRHYSA-N 2 0 264.388 2.831 20 0 CFADRP COCC1C[NH+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237880171 779199036 /nfs/dbraw/zinc/19/90/36/779199036.db2.gz DKJYQJDTBHJTQU-UHFFFAOYSA-N 2 0 286.419 2.766 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CCC[N@H+](C)CC3)cc21 ZINC001237880956 779199102 /nfs/dbraw/zinc/19/91/02/779199102.db2.gz LAZWUXDVSOXQQU-UHFFFAOYSA-N 2 0 299.462 2.825 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)CC3COC3)cc21 ZINC001237887723 779199921 /nfs/dbraw/zinc/19/99/21/779199921.db2.gz XHIWZTVVNFAOQZ-UHFFFAOYSA-N 2 0 286.419 2.766 20 0 CFADRP Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000699227166 779224092 /nfs/dbraw/zinc/22/40/92/779224092.db2.gz QTXLEPLCWLCAEZ-YHWZYXNKSA-N 2 0 250.411 2.677 20 0 CFADRP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168473882 779250766 /nfs/dbraw/zinc/25/07/66/779250766.db2.gz PCJCNGMDKJDPEK-AWEZNQCLSA-N 2 0 294.414 2.587 20 0 CFADRP c1[nH+]cn2c1cccc2C[NH+]1CC2CCC(CC2)C1 ZINC001238105148 779254862 /nfs/dbraw/zinc/25/48/62/779254862.db2.gz DKKWPSUCDJGBEJ-UHFFFAOYSA-N 2 0 255.365 2.956 20 0 CFADRP c1[nH+]cn2c1cccc2CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001238113408 779256906 /nfs/dbraw/zinc/25/69/06/779256906.db2.gz KMQKCOPFGXWVKA-KRWDZBQOSA-N 2 0 298.434 2.785 20 0 CFADRP COc1c(C)cnc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c1C ZINC001238178572 779270662 /nfs/dbraw/zinc/27/06/62/779270662.db2.gz QLGJZRDQOUOTTJ-AWEZNQCLSA-N 2 0 291.439 2.622 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(-c4cc[nH]n4)c3)C2)C1 ZINC001238202214 779280096 /nfs/dbraw/zinc/28/00/96/779280096.db2.gz GNXXFALUCZSGBM-SFHVURJKSA-N 2 0 296.418 2.604 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3[nH]cc(Cl)c32)C[C@H]1C[NH3+] ZINC001205136083 779304004 /nfs/dbraw/zinc/30/40/04/779304004.db2.gz MDPPXYJGFLJAAF-CMPLNLGQSA-N 2 0 277.799 2.848 20 0 CFADRP c1ccc(OCCN2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235175854 779326095 /nfs/dbraw/zinc/32/60/95/779326095.db2.gz XWDQJPCICIFREG-QGZVFWFLSA-N 2 0 274.408 2.674 20 0 CFADRP CC(C)Cc1ccc(CN2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254535 779333995 /nfs/dbraw/zinc/33/39/95/779333995.db2.gz BWSWUFSWLRUVPU-SJORKVTESA-N 2 0 258.409 2.679 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000715250831 779352163 /nfs/dbraw/zinc/35/21/63/779352163.db2.gz BNIOAXKOVOXJSA-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccnc3c(Cl)cccc23)C[C@H]1C[NH3+] ZINC001205151618 779354532 /nfs/dbraw/zinc/35/45/32/779354532.db2.gz XIGJWGVPWBPKGP-WCQYABFASA-N 2 0 289.810 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715268756 779377942 /nfs/dbraw/zinc/37/79/42/779377942.db2.gz GPWLKGPMXHEKNB-YESZJQIVSA-N 3 0 283.504 2.959 20 0 CFADRP CC1=CC[C@H](CC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)C1(C)C ZINC001235928879 779409515 /nfs/dbraw/zinc/40/95/15/779409515.db2.gz DVKSYHOOPMTAQP-BZUAXINKSA-N 2 0 262.441 2.910 20 0 CFADRP C[Si](C)(C)c1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235926331 779409692 /nfs/dbraw/zinc/40/96/92/779409692.db2.gz YPHXIHFNPIWLHS-HNNXBMFYSA-N 2 0 276.500 2.545 20 0 CFADRP COCC[N@H+](C[C@@H]1CCC(C)=C[C@@H]1C)C1CC[NH2+]CC1 ZINC001235945319 779413736 /nfs/dbraw/zinc/41/37/36/779413736.db2.gz FKRMIXWHINJVRM-HOTGVXAUSA-N 2 0 280.456 2.679 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1)c1ccccc1 ZINC001235981961 779419706 /nfs/dbraw/zinc/41/97/06/779419706.db2.gz ZFVWHRUTEARFHV-RDJZCZTQSA-N 2 0 258.409 2.777 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235981958 779419766 /nfs/dbraw/zinc/41/97/66/779419766.db2.gz ZFVWHRUTEARFHV-DOTOQJQBSA-N 2 0 258.409 2.777 20 0 CFADRP c1cc(C2=CCC[NH2+]CC2)ncc1C[NH+]1CCCCC1 ZINC001238949618 779424266 /nfs/dbraw/zinc/42/42/66/779424266.db2.gz HUOHNFMWSOWVPZ-UHFFFAOYSA-N 2 0 271.408 2.834 20 0 CFADRP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC001236833660 779644461 /nfs/dbraw/zinc/64/44/61/779644461.db2.gz ZMUFBQRPSGBQJG-WHOFXGATSA-N 2 0 264.800 2.818 20 0 CFADRP Cc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)c1 ZINC001239811741 779792177 /nfs/dbraw/zinc/79/21/77/779792177.db2.gz DXCSKFMNJKRWBM-UHFFFAOYSA-N 2 0 267.376 2.775 20 0 CFADRP COc1cncc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001239932478 779869255 /nfs/dbraw/zinc/86/92/55/779869255.db2.gz SDHKIFFSOYHOEK-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP [NH3+]CC[C@H]1CN(c2[nH+]ccc3c2CCN3)c2ccccc21 ZINC001168544567 779923624 /nfs/dbraw/zinc/92/36/24/779923624.db2.gz KGZOAWJNJWKJSW-LBPRGKRZSA-N 2 0 280.375 2.634 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211459 779924514 /nfs/dbraw/zinc/92/45/14/779924514.db2.gz UWQVQXSUPQUNIV-IAGOWNOFSA-N 2 0 282.472 2.935 20 0 CFADRP [NH3+]CC[C@@H]1CN(c2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC001168548581 779933207 /nfs/dbraw/zinc/93/32/07/779933207.db2.gz ICDVOBXUJKDTEI-CQSZACIVSA-N 2 0 279.387 2.874 20 0 CFADRP COC[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000721920400 779973001 /nfs/dbraw/zinc/97/30/01/779973001.db2.gz PCJPYNPOKFNIPQ-DLBZAZTESA-N 2 0 282.472 2.617 20 0 CFADRP Cc1c(C)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1Cl ZINC001205249368 780044784 /nfs/dbraw/zinc/04/47/84/780044784.db2.gz XHTUAJZWHVALNK-MRXNPFEDSA-N 2 0 296.842 2.633 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2cc3c(nn2)C[NH2+]C3)cc1 ZINC001240366567 780116438 /nfs/dbraw/zinc/11/64/38/780116438.db2.gz PWXCMYLPHPMKOG-UHFFFAOYSA-N 2 0 282.391 2.635 20 0 CFADRP [NH3+]CC1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 ZINC001205026171 780130292 /nfs/dbraw/zinc/13/02/92/780130292.db2.gz LWIQRJOAZLXVRW-UHFFFAOYSA-N 2 0 286.341 2.919 20 0 CFADRP [NH3+][C@@H]1CCc2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc21 ZINC001240457682 780179442 /nfs/dbraw/zinc/17/94/42/780179442.db2.gz BJPIFOBSSCVTRA-GOSISDBHSA-N 2 0 264.372 2.945 20 0 CFADRP [NH3+]CCc1ccccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240457373 780179595 /nfs/dbraw/zinc/17/95/95/780179595.db2.gz SKKUMHINRWPMQJ-UHFFFAOYSA-N 2 0 252.361 2.501 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2=CC[NH2+]CC2)nc1 ZINC001240466054 780183210 /nfs/dbraw/zinc/18/32/10/780183210.db2.gz PCQJFYSEHNUYEN-CQSZACIVSA-N 2 0 271.408 2.833 20 0 CFADRP c1cc(C2=CCC[NH2+]C2)cc2c1C1(CC2)CC[NH2+]CC1 ZINC001240659243 780332479 /nfs/dbraw/zinc/33/24/79/780332479.db2.gz NVFRMSSRYKVBMQ-UHFFFAOYSA-N 2 0 268.404 2.631 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000453087489 780413876 /nfs/dbraw/zinc/41/38/76/780413876.db2.gz QBHBROTVFQWKMU-CVEARBPZSA-N 2 0 278.440 2.551 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C12CCC2 ZINC000453112763 780415179 /nfs/dbraw/zinc/41/51/79/780415179.db2.gz FPECHOPBKFAHJI-RBSFLKMASA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3ccccc3CC[NH3+])cc2)CC1 ZINC001240854117 780477385 /nfs/dbraw/zinc/47/73/85/780477385.db2.gz FZNNFIMZBFXPFE-UHFFFAOYSA-N 2 0 295.430 2.607 20 0 CFADRP C(c1cc(C[NH+]2CCCCC2)ccn1)=C1CC[NH2+]CC1 ZINC001240874296 780492129 /nfs/dbraw/zinc/49/21/29/780492129.db2.gz QHWAJQUKQLRULJ-UHFFFAOYSA-N 2 0 271.408 2.834 20 0 CFADRP C[NH+](C)CCCCNc1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC001161735718 780494030 /nfs/dbraw/zinc/49/40/30/780494030.db2.gz BJYNPGSHSFHKMK-MRXNPFEDSA-N 2 0 275.440 2.859 20 0 CFADRP CN1CCC([N@H+](C)[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168718779 780494186 /nfs/dbraw/zinc/49/41/86/780494186.db2.gz RZORQJIEPMVIAA-CQSZACIVSA-N 2 0 278.827 2.833 20 0 CFADRP C(c1ccc([C@H]2CCC[NH2+]C2)cc1)=C1CC[NH2+]CC1 ZINC001240878417 780497263 /nfs/dbraw/zinc/49/72/63/780497263.db2.gz IOHFMMGAHKURFJ-KRWDZBQOSA-N 2 0 256.393 2.920 20 0 CFADRP C(c1ccc(C2CC[NH2+]CC2)cc1)=C1CC[NH2+]CC1 ZINC001240878203 780497678 /nfs/dbraw/zinc/49/76/78/780497678.db2.gz NCUSPFKQTSWOBU-UHFFFAOYSA-N 2 0 256.393 2.920 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2cccc(O)c2)CC1 ZINC001240926543 780526329 /nfs/dbraw/zinc/52/63/29/780526329.db2.gz AGRIBINVDILVAK-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN([C@@H]3Cc4cccc(Cl)c4C3)C2)C1 ZINC001168739882 780587865 /nfs/dbraw/zinc/58/78/65/780587865.db2.gz RHAIPRDZQCKBFF-PBHICJAKSA-N 2 0 290.838 2.835 20 0 CFADRP C[NH+]1CCC2(C[NH+]([C@@H]3Cc4cccc(Cl)c4C3)C2)CC1 ZINC001168741579 780594787 /nfs/dbraw/zinc/59/47/87/780594787.db2.gz ZRUVANDBOXUXOJ-CQSZACIVSA-N 2 0 290.838 2.835 20 0 CFADRP C[N@H+]1CC=C(c2ccc(C3CC[NH2+]CC3)cc2)CC1 ZINC001241322350 780779840 /nfs/dbraw/zinc/77/98/40/780779840.db2.gz MDQBYMYGABXVMT-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000701503883 780810310 /nfs/dbraw/zinc/81/03/10/780810310.db2.gz XYOAYNHXSUCNBE-WLYUNCDWSA-N 2 0 266.429 2.551 20 0 CFADRP [NH3+]Cc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)ncn1 ZINC001241386962 780841609 /nfs/dbraw/zinc/84/16/09/780841609.db2.gz PBMVCOSHCAHPSI-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP Nc1cc[nH+]c(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001241500405 780945566 /nfs/dbraw/zinc/94/55/66/780945566.db2.gz MOXPRZRYTSMJMA-UHFFFAOYSA-N 2 0 265.360 2.953 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000703002850 780976200 /nfs/dbraw/zinc/97/62/00/780976200.db2.gz IVARUMNSFYNXJY-FHERZECASA-N 2 0 270.461 2.780 20 0 CFADRP C[N@@H+]1CCC=C(c2cc(C[NH+]3CCCCC3)ccn2)C1 ZINC001241567129 780983548 /nfs/dbraw/zinc/98/35/48/780983548.db2.gz MGKMADSFFVCULV-UHFFFAOYSA-N 2 0 271.408 2.786 20 0 CFADRP C[C@H](c1ccncc1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703865305 781071305 /nfs/dbraw/zinc/07/13/05/781071305.db2.gz GPJNOJDMKKFIRN-WPXLMEDKSA-N 2 0 259.397 2.605 20 0 CFADRP Cc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)c(C[NH+](C)C)c1 ZINC001241777455 781124338 /nfs/dbraw/zinc/12/43/38/781124338.db2.gz ICZMDPRAEKSBGA-UHFFFAOYSA-N 2 0 298.434 2.845 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)C12CCC2 ZINC000705800745 781146076 /nfs/dbraw/zinc/14/60/76/781146076.db2.gz IELICWCRHKPIKN-KBPBESRZSA-N 2 0 264.800 2.742 20 0 CFADRP c1nc2cc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)ccc2s1 ZINC001241868224 781159121 /nfs/dbraw/zinc/15/91/21/781159121.db2.gz JUCFPLKYKXIBLW-UHFFFAOYSA-N 2 0 296.399 2.768 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001241910940 781176092 /nfs/dbraw/zinc/17/60/92/781176092.db2.gz MAWSCBGHHQAZKY-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP [NH3+]Cc1ccc(-c2cncc(C[NH+]3CCCC3)c2)cc1 ZINC001241916523 781179947 /nfs/dbraw/zinc/17/99/47/781179947.db2.gz AQEKVKHBAMDOGZ-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP Nc1[nH+]ccn1Cc1cccc(-c2ccc(C[NH3+])cc2)c1 ZINC001241917746 781180663 /nfs/dbraw/zinc/18/06/63/781180663.db2.gz RYOCNTBTXLWTOF-UHFFFAOYSA-N 2 0 278.359 2.639 20 0 CFADRP CSC1CC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000706835490 781204645 /nfs/dbraw/zinc/20/46/45/781204645.db2.gz PDAGPWJACUESOH-UHFFFAOYSA-N 2 0 256.459 2.779 20 0 CFADRP C[C@@H]([NH3+])c1ccccc1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001241981781 781214804 /nfs/dbraw/zinc/21/48/04/781214804.db2.gz GQVVGLMGHREADW-OAHLLOKOSA-N 2 0 295.430 2.779 20 0 CFADRP CS[C@@H]1CCCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000707286469 781243791 /nfs/dbraw/zinc/24/37/91/781243791.db2.gz YLUJYWPHWUXCCV-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(C3=CCOCC3)cc2)CC1 ZINC001242077598 781268165 /nfs/dbraw/zinc/26/81/65/781268165.db2.gz XIXCKYXZBOQYEQ-UHFFFAOYSA-N 2 0 286.419 2.661 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000708362855 781272312 /nfs/dbraw/zinc/27/23/12/781272312.db2.gz VBPORLYEMGINCV-HZPDHXFCSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1csc(C2CC2)n1 ZINC000708837248 781282437 /nfs/dbraw/zinc/28/24/37/781282437.db2.gz SJRBBBNHPKFHHA-UHFFFAOYSA-N 2 0 253.415 2.629 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccc3[nH]c(N)[nH+]c3c2)cc1 ZINC001242151104 781303054 /nfs/dbraw/zinc/30/30/54/781303054.db2.gz WXZKITONTWMXGT-UHFFFAOYSA-N 2 0 296.374 2.753 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1)[NH2+]2 ZINC000709329363 781309542 /nfs/dbraw/zinc/30/95/42/781309542.db2.gz JKYSLXBFJCUQEX-MLGHIDQZSA-N 2 0 258.356 2.683 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000709638183 781317247 /nfs/dbraw/zinc/31/72/47/781317247.db2.gz OCHKBXSUIQIEBU-LBPRGKRZSA-N 2 0 264.335 2.650 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)sn1 ZINC000709839822 781319395 /nfs/dbraw/zinc/31/93/95/781319395.db2.gz YEWXUEZRCPYKOD-SOUVJXGZSA-N 2 0 279.453 2.586 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C(C)(C)O1 ZINC000709890417 781321048 /nfs/dbraw/zinc/32/10/48/781321048.db2.gz GKCVNHOYTHMPDB-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](C1CCCCC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710159513 781329212 /nfs/dbraw/zinc/32/92/12/781329212.db2.gz OLCDIKXVCSVGKF-NSHDSACASA-N 2 0 279.453 2.929 20 0 CFADRP c1cc(C[NH2+][C@]23C[C@H]2CCCC3)c2c(c1)C[NH2+]CC2 ZINC000710346760 781333549 /nfs/dbraw/zinc/33/35/49/781333549.db2.gz RWVJSLVHYUGVKK-NVXWUHKLSA-N 2 0 256.393 2.755 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1nc(-c2cccs2)no1 ZINC000710706525 781335449 /nfs/dbraw/zinc/33/54/49/781335449.db2.gz WSDPKCPCOJMFQG-UHFFFAOYSA-N 2 0 294.424 2.749 20 0 CFADRP CO[C@H](C[N@H+](C)CCCCCC[NH3+])c1ccccc1 ZINC000710768522 781338354 /nfs/dbraw/zinc/33/83/54/781338354.db2.gz WSDWNBJRANXZQP-MRXNPFEDSA-N 2 0 264.413 2.825 20 0 CFADRP Cc1ccc(OCC[N@H+](C)CCCCCC[NH3+])cc1 ZINC000710804039 781340276 /nfs/dbraw/zinc/34/02/76/781340276.db2.gz KLNOAAKTTNEZIJ-UHFFFAOYSA-N 2 0 264.413 2.825 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000711831946 781474210 /nfs/dbraw/zinc/47/42/10/781474210.db2.gz FYPPZCUWTRGBBC-JQFCIGGWSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ncc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1N ZINC001242412925 781477834 /nfs/dbraw/zinc/47/78/34/781477834.db2.gz MUFSRBLBUILONP-UHFFFAOYSA-N 2 0 296.418 2.562 20 0 CFADRP CCCNc1cc(C)[nH+]c(NCC(C)(C)C[NH+](C)C)n1 ZINC001168763241 781511820 /nfs/dbraw/zinc/51/18/20/781511820.db2.gz SPLZSISURZDPLP-UHFFFAOYSA-N 2 0 279.432 2.607 20 0 CFADRP c1cc(-c2ccc(C[NH+]3CCCC3)cn2)cc2c1C[NH2+]C2 ZINC001242674037 781689738 /nfs/dbraw/zinc/68/97/38/781689738.db2.gz KSORQRUIUMKIBM-UHFFFAOYSA-N 2 0 279.387 2.948 20 0 CFADRP c1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc2c1C[NH2+]CCO2 ZINC001242689211 781698308 /nfs/dbraw/zinc/69/83/08/781698308.db2.gz PAKCQTIKTPHFGA-INIZCTEOSA-N 2 0 299.418 2.595 20 0 CFADRP C[NH2+]Cc1ccc(-c2cncc(C[NH+](C)C)c2)cc1 ZINC001242994473 781907630 /nfs/dbraw/zinc/90/76/30/781907630.db2.gz ZGAWLUFCNJNNLV-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc(CN3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001242993871 781908423 /nfs/dbraw/zinc/90/84/23/781908423.db2.gz KKVMWSLLQLYYQQ-LJQANCHMSA-N 2 0 295.430 2.606 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000258987725 289996120 /nfs/dbraw/zinc/99/61/20/289996120.db2.gz LLHJLDWKZHSOKL-KRWDZBQOSA-N 2 0 260.425 2.974 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1C ZINC000273041906 192028998 /nfs/dbraw/zinc/02/89/98/192028998.db2.gz HUWJOPGUOXVQRB-AWEZNQCLSA-N 2 0 264.413 2.996 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273073183 192037414 /nfs/dbraw/zinc/03/74/14/192037414.db2.gz NQTSSEIGWWDRTR-GJZGRUSLSA-N 2 0 276.424 2.996 20 0 CFADRP FCCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423142452 282952395 /nfs/dbraw/zinc/95/23/95/282952395.db2.gz VGKACXBLXYMTFY-HOCLYGCPSA-N 2 0 278.371 2.582 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595011714 349549469 /nfs/dbraw/zinc/54/94/69/349549469.db2.gz LHRFAHHXUSJSRJ-ZIAGYGMSSA-N 2 0 276.465 2.788 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CSCCF)[NH+]1CCCCC1 ZINC000595030755 349557371 /nfs/dbraw/zinc/55/73/71/349557371.db2.gz AESKKDVMZAHZJK-UONOGXRCSA-N 2 0 276.465 2.932 20 0 CFADRP C[C@H](CSCCF)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000595003088 349544529 /nfs/dbraw/zinc/54/45/29/349544529.db2.gz CWQJONIASJUZHK-CQSZACIVSA-N 2 0 276.465 2.789 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595053634 349566541 /nfs/dbraw/zinc/56/65/41/349566541.db2.gz XFMABSIXWTVUCY-AVOUXACISA-N 2 0 296.455 2.569 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546973 282953018 /nfs/dbraw/zinc/95/30/18/282953018.db2.gz ZUMIASUDGBRWRT-GJZGRUSLSA-N 2 0 254.393 2.804 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cncc(F)c1 ZINC000125426837 187184032 /nfs/dbraw/zinc/18/40/32/187184032.db2.gz NNKVTNVLJQFCTL-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000063158996 290640864 /nfs/dbraw/zinc/64/08/64/290640864.db2.gz ZKAONXVRSBXFOP-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423023756 290022773 /nfs/dbraw/zinc/02/27/73/290022773.db2.gz KMYPZGUWRPMXMD-XGUBFFRZSA-N 2 0 268.445 2.700 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1C ZINC000422916838 529494720 /nfs/dbraw/zinc/49/47/20/529494720.db2.gz BQHGENPIAZPYHK-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000354155377 282188206 /nfs/dbraw/zinc/18/82/06/282188206.db2.gz LRNAHPZEMJACFL-STQMWFEESA-N 2 0 279.815 2.964 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000070183550 346907389 /nfs/dbraw/zinc/90/73/89/346907389.db2.gz ACJUXLQPYSZBBP-UHFFFAOYSA-N 2 0 284.350 2.849 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000070188158 346908082 /nfs/dbraw/zinc/90/80/82/346908082.db2.gz VITGVNIUNKUQTF-UHFFFAOYSA-N 2 0 287.382 2.935 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833273 529545100 /nfs/dbraw/zinc/54/51/00/529545100.db2.gz RLPOAHKHAXQDCP-PMRDEQMMSA-N 2 0 258.409 2.880 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422834461 282194854 /nfs/dbraw/zinc/19/48/54/282194854.db2.gz HLLJXUNBCZJAEC-FLXSYLCISA-N 3 0 293.499 2.760 20 0 CFADRP CC[C@H]([NH2+]CCc1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000422781824 529606198 /nfs/dbraw/zinc/60/61/98/529606198.db2.gz LBRWNBOESRDWNB-IRXDYDNUSA-N 2 0 260.425 2.966 20 0 CFADRP CC[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422895633 529611571 /nfs/dbraw/zinc/61/15/71/529611571.db2.gz WKGHBRAQODAWFN-ULQDDVLXSA-N 2 0 281.488 2.617 20 0 CFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414800595 529595276 /nfs/dbraw/zinc/59/52/76/529595276.db2.gz SETBFBIIFYFCIG-ZFWWWQNUSA-N 2 0 291.439 2.539 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423269321 529624012 /nfs/dbraw/zinc/62/40/12/529624012.db2.gz FKKYFDFZRLQWOT-NWANDNLSSA-N 2 0 261.413 2.812 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422752804 529629893 /nfs/dbraw/zinc/62/98/93/529629893.db2.gz HJICWSXKNNHXRX-IRXDYDNUSA-N 2 0 260.425 2.899 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453069616 536796133 /nfs/dbraw/zinc/79/61/33/536796133.db2.gz CAICGIFOCARDBS-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(F)cc1F ZINC000422761269 529654092 /nfs/dbraw/zinc/65/40/92/529654092.db2.gz LSLZKBSESJGLEQ-WFASDCNBSA-N 2 0 286.366 2.759 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422855076 529655974 /nfs/dbraw/zinc/65/59/74/529655974.db2.gz DILFWTHNUWDYJI-ARFHVFGLSA-N 2 0 294.464 2.557 20 0 CFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000414163050 529633487 /nfs/dbraw/zinc/63/34/87/529633487.db2.gz MTVWVFFYOPMVMK-KBMXLJTQSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423112381 529665168 /nfs/dbraw/zinc/66/51/68/529665168.db2.gz XJHMRAHQXBPGMS-SCRDCRAPSA-N 2 0 280.412 2.870 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000422992490 282235038 /nfs/dbraw/zinc/23/50/38/282235038.db2.gz CRSUKOSANBDKDK-CWRNSKLLSA-N 2 0 270.461 2.948 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])CCO1 ZINC000423043292 282246688 /nfs/dbraw/zinc/24/66/88/282246688.db2.gz OEXKZQUNNYLHGW-CFVMTHIKSA-N 2 0 256.434 2.687 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])OC ZINC000422998560 282273284 /nfs/dbraw/zinc/27/32/84/282273284.db2.gz QSGIVVKGCYSTQI-XHSDSOJGSA-N 2 0 270.461 2.935 20 0 CFADRP CCc1ccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000422736698 529723683 /nfs/dbraw/zinc/72/36/83/529723683.db2.gz YPQDDKXORKWKBO-ZQIUZPCESA-N 2 0 277.456 2.567 20 0 CFADRP CCc1ncc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cn1 ZINC000414288840 529755214 /nfs/dbraw/zinc/75/52/14/529755214.db2.gz QMUICOBNDOWVOQ-UHFFFAOYSA-N 2 0 290.455 2.641 20 0 CFADRP CCc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000414293315 529755396 /nfs/dbraw/zinc/75/53/96/529755396.db2.gz VSFOUFYTCDTZKX-HNNXBMFYSA-N 2 0 290.455 2.783 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422721148 529791765 /nfs/dbraw/zinc/79/17/65/529791765.db2.gz USTUFIMMUKFTQL-CVEARBPZSA-N 2 0 261.413 2.502 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(F)cc1 ZINC000127985189 187345324 /nfs/dbraw/zinc/34/53/24/187345324.db2.gz XIFXYZRHZAONAS-NFAWXSAZSA-N 2 0 280.387 2.665 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@H]2C2CC2)C[C@H](C)O1 ZINC000348062585 539346581 /nfs/dbraw/zinc/34/65/81/539346581.db2.gz KUWPETNIMOGOPN-HDEZJCGLSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000119905253 539366579 /nfs/dbraw/zinc/36/65/79/539366579.db2.gz YPHHEZZDOGBNIG-SNVBAGLBSA-N 2 0 267.442 2.580 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000422702932 529918064 /nfs/dbraw/zinc/91/80/64/529918064.db2.gz LUCWZEKKMWPYJY-ZWKOTPCHSA-N 2 0 287.451 2.985 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348114184 539386483 /nfs/dbraw/zinc/38/64/83/539386483.db2.gz GGRHXMKZLJOGRS-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423208573 529971541 /nfs/dbraw/zinc/97/15/41/529971541.db2.gz ZGPALRNTHDWMHM-OAHLLOKOSA-N 2 0 266.816 2.860 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cn1 ZINC000348252988 539389657 /nfs/dbraw/zinc/38/96/57/539389657.db2.gz GDHRBVNSAMUYCE-INIZCTEOSA-N 2 0 270.380 2.505 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000414829719 529985157 /nfs/dbraw/zinc/98/51/57/529985157.db2.gz BIIOBOWMCWBMHP-SNVBAGLBSA-N 2 0 254.805 2.902 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414836475 529985369 /nfs/dbraw/zinc/98/53/69/529985369.db2.gz JKLDMPRATDETNJ-CQSZACIVSA-N 2 0 276.424 2.953 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414853713 529985418 /nfs/dbraw/zinc/98/54/18/529985418.db2.gz SVIJEZLDYOSSRS-OAHLLOKOSA-N 2 0 298.434 2.795 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(C)c(Br)s1 ZINC000414829048 529985428 /nfs/dbraw/zinc/98/54/28/529985428.db2.gz AHFBUSYNQXQCCA-MRVPVSSYSA-N 2 0 291.258 2.764 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414831102 529985700 /nfs/dbraw/zinc/98/57/00/529985700.db2.gz CADHKNMNYKBFNN-NEPJUHHUSA-N 2 0 299.256 2.825 20 0 CFADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423159885 529998651 /nfs/dbraw/zinc/99/86/51/529998651.db2.gz YQEQVBICECNQEA-IAGOWNOFSA-N 2 0 287.451 2.511 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423278182 529999292 /nfs/dbraw/zinc/99/92/92/529999292.db2.gz QRRMLGXIMQDADW-RYUDHWBXSA-N 2 0 282.453 2.923 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423266547 529999371 /nfs/dbraw/zinc/99/93/71/529999371.db2.gz DGKCXSWTEGSGEK-XHDPSFHLSA-N 2 0 250.361 2.722 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000423267838 529999699 /nfs/dbraw/zinc/99/96/99/529999699.db2.gz FKELHNUOHHSCNN-GXFFZTMASA-N 2 0 252.377 2.949 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423281944 529999849 /nfs/dbraw/zinc/99/98/49/529999849.db2.gz VZCSWFKLCXWOMI-NSNWQYSKSA-N 2 0 276.424 2.632 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423266179 530000108 /nfs/dbraw/zinc/00/01/08/530000108.db2.gz CYSOOQZZGJNARP-CWRNSKLLSA-N 2 0 276.424 2.678 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226015797 539422504 /nfs/dbraw/zinc/42/25/04/539422504.db2.gz JKHJZGXDPDCNPC-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP CCC1(CC)C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000262141058 282373791 /nfs/dbraw/zinc/37/37/91/282373791.db2.gz ZBOKOQFHQJEZNH-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127364424 187300677 /nfs/dbraw/zinc/30/06/77/187300677.db2.gz DJVZFYMFQKVYCA-JKSUJKDBSA-N 2 0 289.467 2.536 20 0 CFADRP C[C@H]([NH2+]C1CC=CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000122028464 539448702 /nfs/dbraw/zinc/44/87/02/539448702.db2.gz ZBPBTNYTCSFPFT-AWEZNQCLSA-N 2 0 274.408 2.996 20 0 CFADRP CCC[NH+]1CCC(NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000129472386 539459438 /nfs/dbraw/zinc/45/94/38/539459438.db2.gz CTBKWLBUSKYEDT-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1C ZINC000127394164 187302616 /nfs/dbraw/zinc/30/26/16/187302616.db2.gz IHZRUTJPHPMSSZ-RDJZCZTQSA-N 2 0 289.467 2.590 20 0 CFADRP CCC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295107172 199348607 /nfs/dbraw/zinc/34/86/07/199348607.db2.gz UWPZNOLNUYPZJN-ZWKOTPCHSA-N 2 0 290.451 2.601 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)ccc2n1 ZINC000097862705 232182085 /nfs/dbraw/zinc/18/20/85/232182085.db2.gz KMXRHCBGPHOCRM-ZFWWWQNUSA-N 2 0 269.392 2.712 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Cc1cccs1 ZINC000167447346 232260049 /nfs/dbraw/zinc/26/00/49/232260049.db2.gz YNOGIFJCEAADCF-BFHYXJOUSA-N 2 0 266.454 2.999 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127494696 187311142 /nfs/dbraw/zinc/31/11/42/187311142.db2.gz BKXCIFURNCZCKV-SJORKVTESA-N 2 0 289.467 2.590 20 0 CFADRP CC(C)[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CC1 ZINC000123939838 539513198 /nfs/dbraw/zinc/51/31/98/539513198.db2.gz SVOPGXKSDIYCEC-UHFFFAOYSA-N 2 0 258.409 2.953 20 0 CFADRP CCc1ccc(C)[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000668478350 539520315 /nfs/dbraw/zinc/52/03/15/539520315.db2.gz NJSOVOUSOBQHJW-GJZGRUSLSA-N 2 0 259.397 2.991 20 0 CFADRP CC[C@@H](O)CC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090189318 539527504 /nfs/dbraw/zinc/52/75/04/539527504.db2.gz AWRKTGFQDNSILP-DLBZAZTESA-N 2 0 290.451 2.790 20 0 CFADRP [NH3+]C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000020266904 346243993 /nfs/dbraw/zinc/24/39/93/346243993.db2.gz YGCMFPHOLCDUAJ-UHFFFAOYSA-N 2 0 268.788 2.532 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000032105927 346300649 /nfs/dbraw/zinc/30/06/49/346300649.db2.gz HQEINPNVALYGHP-CYBMUJFWSA-N 2 0 250.386 2.515 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1sccc1Br ZINC000037715571 346333116 /nfs/dbraw/zinc/33/31/16/346333116.db2.gz UFOLQCDZKDAGJU-MRVPVSSYSA-N 2 0 277.231 2.900 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000668504962 539541124 /nfs/dbraw/zinc/54/11/24/539541124.db2.gz XJDPHUYVIWNGKD-GFCCVEGCSA-N 2 0 288.420 2.858 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596648055 349968034 /nfs/dbraw/zinc/96/80/34/349968034.db2.gz HEIPBCXDGJEMQC-CABCVRRESA-N 2 0 296.455 2.750 20 0 CFADRP CCSC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000596649628 349968645 /nfs/dbraw/zinc/96/86/45/349968645.db2.gz DEEWQIQMIUZNBB-UKRRQHHQSA-N 2 0 278.465 2.820 20 0 CFADRP CC(C)CCOCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056521783 346610841 /nfs/dbraw/zinc/61/08/41/346610841.db2.gz WNXFTEFMOODIQL-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000086332658 347484573 /nfs/dbraw/zinc/48/45/73/347484573.db2.gz IUMGHZDBUQLRHZ-JTQLQIEISA-N 2 0 258.818 2.833 20 0 CFADRP COCc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000088553593 347505576 /nfs/dbraw/zinc/50/55/76/347505576.db2.gz XKIKKZMFVJUHEX-QGZVFWFLSA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000091335704 347583228 /nfs/dbraw/zinc/58/32/28/347583228.db2.gz WUIWEKLYCJNEPF-ZBFHGGJFSA-N 2 0 261.413 2.710 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccnc2ccccc12 ZINC000113701145 347767871 /nfs/dbraw/zinc/76/78/71/347767871.db2.gz VPJRWZXKACUIIK-GUYCJALGSA-N 2 0 269.392 2.937 20 0 CFADRP C[N@H+](Cc1ccnc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000113701097 347767960 /nfs/dbraw/zinc/76/79/60/347767960.db2.gz RBYJUOHRSUHUGW-XYPWUTKMSA-N 2 0 281.403 2.950 20 0 CFADRP c1ccc2c(c1)-c1ccccc1C2[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107855361 347736593 /nfs/dbraw/zinc/73/65/93/347736593.db2.gz DZHUDTQDKRHCPA-KBPBESRZSA-N 2 0 276.383 2.908 20 0 CFADRP Cc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112119911 347758365 /nfs/dbraw/zinc/75/83/65/347758365.db2.gz KSSQIZPOJZWFAU-UHFFFAOYSA-N 2 0 267.376 2.712 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000120959223 347808897 /nfs/dbraw/zinc/80/88/97/347808897.db2.gz AHOUQPPHPVRQJW-HZPDHXFCSA-N 2 0 272.436 2.675 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000120959055 347809295 /nfs/dbraw/zinc/80/92/95/347809295.db2.gz AHOUQPPHPVRQJW-CVEARBPZSA-N 2 0 272.436 2.675 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000128626086 187381033 /nfs/dbraw/zinc/38/10/33/187381033.db2.gz SVSZFZMACPCWCN-MRXNPFEDSA-N 2 0 262.372 2.889 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000126892612 347837774 /nfs/dbraw/zinc/83/77/74/347837774.db2.gz KZYBWLOFDQUZAQ-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP CCCC[N@H+](C)CC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132238891 347883616 /nfs/dbraw/zinc/88/36/16/347883616.db2.gz ZPMQTPBKJCVELP-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cccc(OC)c2F)C1 ZINC000192956949 539592228 /nfs/dbraw/zinc/59/22/28/539592228.db2.gz XCBJTYJDMLCJAW-AWEZNQCLSA-N 2 0 294.414 2.998 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000163395938 348033495 /nfs/dbraw/zinc/03/34/95/348033495.db2.gz COHSXNCWDHOQDM-ZFWWWQNUSA-N 2 0 269.392 2.652 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CCCOCC1)Cc1ccccc1 ZINC000086869572 179363279 /nfs/dbraw/zinc/36/32/79/179363279.db2.gz FOONPZUQLUSWFA-KRWDZBQOSA-N 2 0 276.424 2.667 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000228496408 348195653 /nfs/dbraw/zinc/19/56/53/348195653.db2.gz WARTWCQEWCLGCG-HZMBPMFUSA-N 2 0 280.799 2.587 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000250319760 348286888 /nfs/dbraw/zinc/28/68/88/348286888.db2.gz MYJXYCNYVGATAM-ARFHVFGLSA-N 2 0 280.456 2.512 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000252683831 348297603 /nfs/dbraw/zinc/29/76/03/348297603.db2.gz FGVDMZTWNDKVAP-HIFRSBDPSA-N 2 0 262.397 2.787 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000300077336 348366144 /nfs/dbraw/zinc/36/61/44/348366144.db2.gz AYWPNOMERVLVGJ-IMJJTQAJSA-N 2 0 250.430 2.910 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000310059489 348408636 /nfs/dbraw/zinc/40/86/36/348408636.db2.gz JHZAKWCASJXHFG-ZDUSSCGKSA-N 2 0 252.427 2.788 20 0 CFADRP COCc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000128889604 187397393 /nfs/dbraw/zinc/39/73/93/187397393.db2.gz KYMYUQBWJQCOOG-AGUYFDCRSA-N 2 0 278.396 2.531 20 0 CFADRP CC(C)CC1(C[NH2+]C[C@H](O)CN(C)C2CC2)CCCC1 ZINC000312436800 348417955 /nfs/dbraw/zinc/41/79/55/348417955.db2.gz SVWVSZWBBFWXDD-INIZCTEOSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000125719717 539641873 /nfs/dbraw/zinc/64/18/73/539641873.db2.gz CDKXXQIPEGHULU-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000672617021 539641564 /nfs/dbraw/zinc/64/15/64/539641564.db2.gz UOLGNUZATYKVAB-AWEZNQCLSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC(F)(F)F ZINC000402505597 348582248 /nfs/dbraw/zinc/58/22/48/348582248.db2.gz BBARPUYCEZTFOM-HBNTYKKESA-N 2 0 252.324 2.825 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404272971 348590591 /nfs/dbraw/zinc/59/05/91/348590591.db2.gz LUMKUVAYRGIYLV-GJZGRUSLSA-N 2 0 284.444 2.559 20 0 CFADRP C[C@@H](Nc1cc[nH+]c2ccccc12)C1CC[NH+](C)CC1 ZINC000396453696 348557594 /nfs/dbraw/zinc/55/75/94/348557594.db2.gz INXDSQKBPXNXOK-CYBMUJFWSA-N 2 0 269.392 2.799 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000560954336 539660890 /nfs/dbraw/zinc/66/08/90/539660890.db2.gz QPOILEOXUVWATM-STQMWFEESA-N 2 0 254.324 2.984 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000126017204 539660960 /nfs/dbraw/zinc/66/09/60/539660960.db2.gz LZXFOOINBZHYJX-GOEBONIOSA-N 3 0 283.504 2.673 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C)C3(CCC3)C2)CC[NH2+]1 ZINC000414753823 297253131 /nfs/dbraw/zinc/25/31/31/297253131.db2.gz FFKTVPUIHJDVDT-ZNMIVQPWSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC12CCCC2 ZINC000584714303 348707898 /nfs/dbraw/zinc/70/78/98/348707898.db2.gz HBVWJRBWDUVTNL-IUODEOHRSA-N 2 0 259.397 2.832 20 0 CFADRP C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000672623120 539671492 /nfs/dbraw/zinc/67/14/92/539671492.db2.gz QHMOZFJGHXJICI-OIKLOGQESA-N 2 0 264.335 2.647 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000589636165 348843556 /nfs/dbraw/zinc/84/35/56/348843556.db2.gz AZEMCQGXBRUFKG-UHFFFAOYSA-N 2 0 294.402 2.914 20 0 CFADRP C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)C1CC[NH+](C)CC1 ZINC000092805430 539682953 /nfs/dbraw/zinc/68/29/53/539682953.db2.gz SJKCEDTVEAKYAA-GFCCVEGCSA-N 2 0 252.446 2.989 20 0 CFADRP C[C@H](O)C1([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000668700650 539703496 /nfs/dbraw/zinc/70/34/96/539703496.db2.gz UNKMRSIGWAXYHJ-YCPHGPKFSA-N 2 0 280.456 2.533 20 0 CFADRP Fc1ccccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591082666 348985402 /nfs/dbraw/zinc/98/54/02/348985402.db2.gz IUUZJTRGEXIBPW-AWEZNQCLSA-N 2 0 259.328 2.859 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000590786258 348949174 /nfs/dbraw/zinc/94/91/74/348949174.db2.gz LAPIJFAJUHBOSE-UHFFFAOYSA-N 2 0 296.377 2.618 20 0 CFADRP c1ccc(CSCC[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000591281827 349006258 /nfs/dbraw/zinc/00/62/58/349006258.db2.gz MTLIDQXIFJMGJM-OAHLLOKOSA-N 2 0 276.449 2.652 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)c(C)c1 ZINC000414052383 233154871 /nfs/dbraw/zinc/15/48/71/233154871.db2.gz KYAAGYHWWRKYBG-CYBMUJFWSA-N 2 0 250.386 2.606 20 0 CFADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn[nH]c3)c2)CC1 ZINC000591711913 349039481 /nfs/dbraw/zinc/03/94/81/349039481.db2.gz CFNVLEHJTMCVBO-UHFFFAOYSA-N 2 0 298.434 2.931 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)nc1C ZINC000414171470 233186183 /nfs/dbraw/zinc/18/61/83/233186183.db2.gz UZFSGZVOQGZYIW-BBWFWOEESA-N 2 0 273.424 2.661 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(O)c1 ZINC000414181778 233188924 /nfs/dbraw/zinc/18/89/24/233188924.db2.gz MWNLKVWELQHYBB-KGLIPLIRSA-N 2 0 262.397 2.775 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593318779 349246581 /nfs/dbraw/zinc/24/65/81/349246581.db2.gz HHXUKJNROOAUJB-CABCVRRESA-N 2 0 296.455 2.607 20 0 CFADRP O[C@H]1CC[N@@H+](C2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000668738488 539739240 /nfs/dbraw/zinc/73/92/40/539739240.db2.gz DOLRCWNMSZDTBP-SFHVURJKSA-N 2 0 294.483 2.878 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739158 539741917 /nfs/dbraw/zinc/74/19/17/539741917.db2.gz JLSWSKSBBNMPRD-RYQLBKOJSA-N 2 0 292.467 2.510 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414502837 233274540 /nfs/dbraw/zinc/27/45/40/233274540.db2.gz VFKYDPBINWHWMY-FZMZJTMJSA-N 2 0 288.420 2.559 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414674654 233322452 /nfs/dbraw/zinc/32/24/52/233322452.db2.gz DYRXLMWFMNKLPZ-CVEARBPZSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCSc1ccc(F)cc1 ZINC000131919381 539771704 /nfs/dbraw/zinc/77/17/04/539771704.db2.gz ARXCGKBHNRENDM-DGCLKSJQSA-N 2 0 268.401 2.729 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccccc3OC[C@H]2C)CC[NH2+]1 ZINC000414752828 233342557 /nfs/dbraw/zinc/34/25/57/233342557.db2.gz CUGADQVEBHIKKH-KFWWJZLASA-N 2 0 274.408 2.658 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414709231 233335382 /nfs/dbraw/zinc/33/53/82/233335382.db2.gz PTNGGDRGWBMTJL-RYRKJORJSA-N 2 0 287.451 2.951 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)sc1C ZINC000414716988 233337562 /nfs/dbraw/zinc/33/75/62/233337562.db2.gz YQHKCCZTSWAWKH-GXFFZTMASA-N 2 0 281.469 2.973 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000132332615 539775667 /nfs/dbraw/zinc/77/56/67/539775667.db2.gz IASGIJAFNOBNDQ-RHSMWYFYSA-N 2 0 260.425 2.864 20 0 CFADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414787118 233350759 /nfs/dbraw/zinc/35/07/59/233350759.db2.gz YVMFKCAXFLXACD-WBVHZDCISA-N 2 0 258.409 2.739 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788199 233350896 /nfs/dbraw/zinc/35/08/96/233350896.db2.gz WKVHHDLVBMIFRK-OLZOCXBDSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788552 233352437 /nfs/dbraw/zinc/35/24/37/233352437.db2.gz XATPPVAXXFGNIW-RDJZCZTQSA-N 2 0 258.409 2.817 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000414791133 233352468 /nfs/dbraw/zinc/35/24/68/233352468.db2.gz AZCTVJMJKHCQMV-GJZGRUSLSA-N 2 0 264.438 2.637 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789001 233352669 /nfs/dbraw/zinc/35/26/69/233352669.db2.gz XQTDPCWOXFTNBR-CVEARBPZSA-N 2 0 290.455 2.594 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414810418 233360689 /nfs/dbraw/zinc/36/06/89/233360689.db2.gz NWDKFBZXKDGONO-CYBMUJFWSA-N 2 0 294.402 2.952 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000414809734 233361358 /nfs/dbraw/zinc/36/13/58/233361358.db2.gz MWGGBPUVIWHLEY-CYBMUJFWSA-N 2 0 286.423 2.948 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414817814 233365040 /nfs/dbraw/zinc/36/50/40/233365040.db2.gz TXSQKZVPWFGCFI-OKDNKWQNSA-N 3 0 287.451 2.717 20 0 CFADRP Clc1csc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414829043 233369649 /nfs/dbraw/zinc/36/96/49/233369649.db2.gz AFXWCMZQWSYUCT-SNVBAGLBSA-N 2 0 258.818 2.881 20 0 CFADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1F ZINC000105454466 186057694 /nfs/dbraw/zinc/05/76/94/186057694.db2.gz XCZMSAFELJMGAN-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000105454841 186057802 /nfs/dbraw/zinc/05/78/02/186057802.db2.gz AHVVYUJCFJBKCO-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@H]1CCc2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)sc2C1 ZINC000414832580 233371810 /nfs/dbraw/zinc/37/18/10/233371810.db2.gz FFUCIORWUGFMKH-QWHCGFSZSA-N 2 0 293.480 2.747 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414836211 233372444 /nfs/dbraw/zinc/37/24/44/233372444.db2.gz UMVJYDFYVNORHV-REOARJMMSA-N 2 0 256.393 2.663 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000414838883 233374194 /nfs/dbraw/zinc/37/41/94/233374194.db2.gz LUFYYYFZDZQZPS-RHSMWYFYSA-N 2 0 288.435 2.532 20 0 CFADRP Clc1ccsc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843076 233375308 /nfs/dbraw/zinc/37/53/08/233375308.db2.gz PPAJBQWBSNYXJH-SNVBAGLBSA-N 2 0 258.818 2.881 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414869231 233384531 /nfs/dbraw/zinc/38/45/31/233384531.db2.gz AIOOWBGSXSJMAV-NEPJUHHUSA-N 2 0 286.366 2.794 20 0 CFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414877955 233386852 /nfs/dbraw/zinc/38/68/52/233386852.db2.gz GQBMOPGRBCLTFW-NSHDSACASA-N 2 0 292.814 2.661 20 0 CFADRP C[C@H](C[NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000414892398 233390361 /nfs/dbraw/zinc/39/03/61/233390361.db2.gz PPIJLLZJGABJNS-YGRLFVJLSA-N 2 0 297.240 2.880 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895671 233391966 /nfs/dbraw/zinc/39/19/66/233391966.db2.gz YNITXJAQEMFHMM-QMTHXVAHSA-N 2 0 252.789 2.598 20 0 CFADRP C[C@@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000414897994 233392652 /nfs/dbraw/zinc/39/26/52/233392652.db2.gz AORFWHAUICWBAW-NVXWUHKLSA-N 2 0 260.425 2.845 20 0 CFADRP CCN(CC)C[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442762837 539786056 /nfs/dbraw/zinc/78/60/56/539786056.db2.gz FVFXQBYXHBLBEG-UONOGXRCSA-N 2 0 285.435 2.955 20 0 CFADRP CCN(CC)C[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442762841 539786403 /nfs/dbraw/zinc/78/64/03/539786403.db2.gz FVFXQBYXHBLBEG-ZIAGYGMSSA-N 2 0 285.435 2.955 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414852001 233378109 /nfs/dbraw/zinc/37/81/09/233378109.db2.gz OYQYQIWCGNKWCU-ZDUSSCGKSA-N 2 0 250.361 2.613 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000414852627 233378306 /nfs/dbraw/zinc/37/83/06/233378306.db2.gz WDXKXICXMIBBFV-YESZJQIVSA-N 2 0 258.409 2.739 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414855230 233379456 /nfs/dbraw/zinc/37/94/56/233379456.db2.gz WFGQNRIDPSVOSH-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP c1c2ccccc2oc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414855179 233379539 /nfs/dbraw/zinc/37/95/39/233379539.db2.gz VWJRSLHLCZZBEX-CYBMUJFWSA-N 2 0 258.365 2.912 20 0 CFADRP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414856198 233380553 /nfs/dbraw/zinc/38/05/53/233380553.db2.gz OAZIJDADBGWRGV-XIRDDKMYSA-N 2 0 258.409 2.912 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920264 233399470 /nfs/dbraw/zinc/39/94/70/233399470.db2.gz YWBPDAITGDUAGQ-DOTOQJQBSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000414920928 233399862 /nfs/dbraw/zinc/39/98/62/233399862.db2.gz ZMGUVCVOGUSZCR-DOMZBBRYSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000415011271 233435446 /nfs/dbraw/zinc/43/54/46/233435446.db2.gz HGDNYHAQCPMBDW-LBPRGKRZSA-N 2 0 292.452 2.756 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022818 233439366 /nfs/dbraw/zinc/43/93/66/233439366.db2.gz JTLCVFYPDWYMRA-HDJSIYSDSA-N 2 0 264.388 2.989 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000414984203 233424571 /nfs/dbraw/zinc/42/45/71/233424571.db2.gz ABAYYMQKTYXVIH-GXTWGEPZSA-N 2 0 252.789 2.947 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCCC(F)(F)F)CC[NH2+]CC1 ZINC000414983160 233424652 /nfs/dbraw/zinc/42/46/52/233424652.db2.gz YVNFYTDKRPSVES-LBPRGKRZSA-N 2 0 296.377 2.713 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415040200 233443928 /nfs/dbraw/zinc/44/39/28/233443928.db2.gz OPZOGBRWWBMOFE-RISCZKNCSA-N 2 0 252.789 2.865 20 0 CFADRP C[C@H](CSCCF)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599074307 350371487 /nfs/dbraw/zinc/37/14/87/350371487.db2.gz PQLVEXHHIGDCPK-OCCSQVGLSA-N 2 0 274.449 2.684 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000415032638 233441967 /nfs/dbraw/zinc/44/19/67/233441967.db2.gz IAYMTBURBHFBIW-PSASIEDQSA-N 2 0 289.242 2.728 20 0 CFADRP CCC[C@@H](C)CCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000599294195 350407942 /nfs/dbraw/zinc/40/79/42/350407942.db2.gz CNXLALNPSRIIQT-QZTJIDSGSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1nc2c(s1)CCC2 ZINC000415107584 233468469 /nfs/dbraw/zinc/46/84/69/233468469.db2.gz JFJUOCOIYXUSPY-GRYCIOLGSA-N 2 0 279.453 2.671 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000415086123 233461988 /nfs/dbraw/zinc/46/19/88/233461988.db2.gz RFFMKKJBIJXAGO-UHFFFAOYSA-N 2 0 254.324 2.572 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785334 539802967 /nfs/dbraw/zinc/80/29/67/539802967.db2.gz PGHUYMJKASTZOB-AWEZNQCLSA-N 2 0 282.453 2.599 20 0 CFADRP CC(C)C(C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000668785192 539803015 /nfs/dbraw/zinc/80/30/15/539803015.db2.gz NMWSAJVWTSXWIJ-INIZCTEOSA-N 2 0 284.488 2.957 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000110650445 186310945 /nfs/dbraw/zinc/31/09/45/186310945.db2.gz ZZTYBEQCPBBVPW-GFCCVEGCSA-N 2 0 282.815 2.778 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000110644486 186308319 /nfs/dbraw/zinc/30/83/19/186308319.db2.gz NFHXERKHEXQRPK-ZDUSSCGKSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1C ZINC000110645389 186308798 /nfs/dbraw/zinc/30/87/98/186308798.db2.gz BDLHLPARNDAMAL-ZDUSSCGKSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(Cl)c1OC ZINC000110830771 186327756 /nfs/dbraw/zinc/32/77/56/186327756.db2.gz SSQWFTYOYPEAQH-UHFFFAOYSA-N 2 0 298.814 2.528 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1c(C)noc1C ZINC000565225586 290285037 /nfs/dbraw/zinc/28/50/37/290285037.db2.gz GBFWCKKEAIFWIT-AVGNSLFASA-N 2 0 251.374 2.602 20 0 CFADRP CSC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000602922042 351067265 /nfs/dbraw/zinc/06/72/65/351067265.db2.gz ONXANWFTNBTIFC-CYBMUJFWSA-N 2 0 256.459 2.688 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000607957065 351382243 /nfs/dbraw/zinc/38/22/43/351382243.db2.gz ZVQQHJQBWAZRJW-CJNGLKHVSA-N 2 0 271.408 2.988 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cccnc3c2)CC[N@@H+]1C ZINC000608061475 351392559 /nfs/dbraw/zinc/39/25/59/351392559.db2.gz VZVFJNZGRQAWRW-CJNGLKHVSA-N 2 0 269.392 2.807 20 0 CFADRP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CC1(C)C ZINC000668814648 539821447 /nfs/dbraw/zinc/82/14/47/539821447.db2.gz QCFQNPRSDDULAB-ZDUSSCGKSA-N 2 0 270.380 2.745 20 0 CFADRP CC[C@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000291710761 198066770 /nfs/dbraw/zinc/06/67/70/198066770.db2.gz LJEMAEKSDGGHJO-INIZCTEOSA-N 2 0 278.440 2.505 20 0 CFADRP COC(=O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121870210 187002222 /nfs/dbraw/zinc/00/22/22/187002222.db2.gz HDEWIPRRQITWJI-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122613090 187041425 /nfs/dbraw/zinc/04/14/25/187041425.db2.gz DCCCBLGJJXYJAM-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccn(C)c2)CC1 ZINC000123299754 187083493 /nfs/dbraw/zinc/08/34/93/187083493.db2.gz LUKYVWQZEQWXDN-UHFFFAOYSA-N 2 0 263.429 2.627 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000123577322 187099483 /nfs/dbraw/zinc/09/94/83/187099483.db2.gz QWXVCQBDSLABHH-CYBMUJFWSA-N 2 0 258.365 2.783 20 0 CFADRP CCn1cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000123588468 187100043 /nfs/dbraw/zinc/10/00/43/187100043.db2.gz IFIPQRDPYISGBT-AWEZNQCLSA-N 2 0 286.423 2.815 20 0 CFADRP COc1ccc(OC)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123838731 187111198 /nfs/dbraw/zinc/11/11/98/187111198.db2.gz QVSRSXDACJNJFD-DZGCQCFKSA-N 2 0 292.423 2.618 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](COC)C(C)C)c1 ZINC000123974997 187116803 /nfs/dbraw/zinc/11/68/03/187116803.db2.gz VBKOWRZWWJMEJG-QGZVFWFLSA-N 2 0 278.440 2.899 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000134114430 539826586 /nfs/dbraw/zinc/82/65/86/539826586.db2.gz RHJVOZOXFMWVBJ-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000134161857 539828311 /nfs/dbraw/zinc/82/83/11/539828311.db2.gz NRGUIERZFVRGIW-MSOLQXFVSA-N 2 0 293.499 2.596 20 0 CFADRP O[C@@H](C[NH2+]C[C@@H]1CCCCN1C1CC1)CC1CCCC1 ZINC000571277447 383679092 /nfs/dbraw/zinc/67/90/92/383679092.db2.gz ISHXTASWQJDVAC-DLBZAZTESA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(F)c2F)CC[N@@H+]1C ZINC000271518884 191189360 /nfs/dbraw/zinc/18/93/60/191189360.db2.gz UOHSKOLTDOFDBU-YPMHNXCESA-N 2 0 268.351 2.580 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000271541919 191201645 /nfs/dbraw/zinc/20/16/45/191201645.db2.gz YRHVVECFDFBMJJ-XUJVJEKNSA-N 2 0 282.378 2.826 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccs1 ZINC000271567407 191217310 /nfs/dbraw/zinc/21/73/10/191217310.db2.gz YDOZYEBMKFZENC-AEGPPILISA-N 2 0 294.464 2.777 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000227499207 539952669 /nfs/dbraw/zinc/95/26/69/539952669.db2.gz PKMLQRFKOHIWBH-MJBXVCDLSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000221780607 539957721 /nfs/dbraw/zinc/95/77/21/539957721.db2.gz FQHIEEOKRRQCAW-UHFFFAOYSA-N 2 0 286.423 2.692 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000233474751 539958591 /nfs/dbraw/zinc/95/85/91/539958591.db2.gz DXDXQGLWJZLHJL-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000302714478 539958793 /nfs/dbraw/zinc/95/87/93/539958793.db2.gz YUJYEVIRYXRGRY-OWCLPIDISA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC1(F)F ZINC000666444684 539966771 /nfs/dbraw/zinc/96/67/71/539966771.db2.gz JLEBGACVZOIJHN-WFASDCNBSA-N 2 0 298.377 2.760 20 0 CFADRP COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152721485 188038975 /nfs/dbraw/zinc/03/89/75/188038975.db2.gz ZJOVFQREBOCBHH-CABCVRRESA-N 2 0 294.439 2.703 20 0 CFADRP CC[C@H](COC)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152861447 188048998 /nfs/dbraw/zinc/04/89/98/188048998.db2.gz MWKJUEUCMCUSKQ-GDBMZVCRSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000155283947 188196377 /nfs/dbraw/zinc/19/63/77/188196377.db2.gz PSCBRNLAEKDIFB-BBRMVZONSA-N 2 0 276.399 2.930 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000155021341 188177596 /nfs/dbraw/zinc/17/75/96/188177596.db2.gz DFESAYGSCCBASU-ZIAGYGMSSA-N 2 0 295.858 2.627 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1 ZINC000234766954 539990153 /nfs/dbraw/zinc/99/01/53/539990153.db2.gz HNVKVWCJIHQPKK-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC000156939059 188288593 /nfs/dbraw/zinc/28/85/93/188288593.db2.gz IUTKZWPBQVXLBV-BFYDXBDKSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000157580865 188325831 /nfs/dbraw/zinc/32/58/31/188325831.db2.gz MMPUHAHWODFWEK-IIDMSEBBSA-N 2 0 298.434 2.691 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621620596 353385294 /nfs/dbraw/zinc/38/52/94/353385294.db2.gz BJPRAJVICGVUPX-AWEZNQCLSA-N 2 0 289.423 2.514 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000621778017 353423634 /nfs/dbraw/zinc/42/36/34/353423634.db2.gz JVNIKLYQQUYPQA-HNNXBMFYSA-N 2 0 291.439 2.529 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621733997 353411796 /nfs/dbraw/zinc/41/17/96/353411796.db2.gz CMLTXILHPBRBDY-LLVKDONJSA-N 2 0 260.372 2.884 20 0 CFADRP CN(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158891355 188399358 /nfs/dbraw/zinc/39/93/58/188399358.db2.gz NUOWLJBGOQCOFN-WMZOPIPTSA-N 2 0 287.451 2.539 20 0 CFADRP C[C@H](C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1)c1ccc(F)cc1 ZINC000622003880 353463371 /nfs/dbraw/zinc/46/33/71/353463371.db2.gz GUOGEHUPQZUZJI-XPKDYRNWSA-N 2 0 262.372 2.742 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000622043861 353468449 /nfs/dbraw/zinc/46/84/49/353468449.db2.gz NYZSJCZZRAJTFU-KOLCDFICSA-N 2 0 269.339 2.545 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000622044639 353468762 /nfs/dbraw/zinc/46/87/62/353468762.db2.gz NQTNGSZJKOOCPV-KKUMJFAQSA-N 2 0 261.413 2.743 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623352499 353622220 /nfs/dbraw/zinc/62/22/20/353622220.db2.gz CXAUVLLNZTZXCL-UHFFFAOYSA-N 2 0 286.423 2.773 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623353475 353622815 /nfs/dbraw/zinc/62/28/15/353622815.db2.gz MXPCDIMSGJORRX-JKSUJKDBSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623360106 353624966 /nfs/dbraw/zinc/62/49/66/353624966.db2.gz VMTKIMGQKPXTOU-HNNXBMFYSA-N 2 0 291.439 2.831 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)CC1(C)C ZINC000623363031 353625756 /nfs/dbraw/zinc/62/57/56/353625756.db2.gz VJLMRSJXESCHAJ-LBPRGKRZSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000623363765 353625792 /nfs/dbraw/zinc/62/57/92/353625792.db2.gz FAQYSFBBAWOMJA-CQSZACIVSA-N 2 0 286.423 2.775 20 0 CFADRP C[N@@H+]1CC[C@@H](NCc2ccc(F)cc2F)CC1(C)C ZINC000623385040 353631592 /nfs/dbraw/zinc/63/15/92/353631592.db2.gz ZEMDNPVMHKGSJB-CYBMUJFWSA-N 2 0 268.351 2.927 20 0 CFADRP Cc1csc([C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623398732 353634732 /nfs/dbraw/zinc/63/47/32/353634732.db2.gz NKLDOVNWUFASSR-RYUDHWBXSA-N 2 0 267.442 2.975 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623417816 353639167 /nfs/dbraw/zinc/63/91/67/353639167.db2.gz RAWWGFQJGMHILS-HOTGVXAUSA-N 2 0 281.488 2.713 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623447994 353647419 /nfs/dbraw/zinc/64/74/19/353647419.db2.gz JKHVBYMWCIEMNN-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623482169 353653653 /nfs/dbraw/zinc/65/36/53/353653653.db2.gz DZVXVMDNZUKMAW-KFWWJZLASA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623454149 353648452 /nfs/dbraw/zinc/64/84/52/353648452.db2.gz VFZXPPWCZMZIMB-ZIAGYGMSSA-N 2 0 266.429 2.551 20 0 CFADRP COc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623335771 353616586 /nfs/dbraw/zinc/61/65/86/353616586.db2.gz CPNRZPGFOJEGEI-CQSZACIVSA-N 2 0 262.397 2.658 20 0 CFADRP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623338504 353618357 /nfs/dbraw/zinc/61/83/57/353618357.db2.gz CKIJWGLPAQEZMR-IRXDYDNUSA-N 2 0 289.467 2.752 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623341782 353619057 /nfs/dbraw/zinc/61/90/57/353619057.db2.gz QXFFIJAAMSRYPD-CQSZACIVSA-N 2 0 286.423 2.917 20 0 CFADRP CCOC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623504850 353658871 /nfs/dbraw/zinc/65/88/71/353658871.db2.gz BLRXFHYUCGQWCC-KGLIPLIRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccnn1C ZINC000623504327 353658925 /nfs/dbraw/zinc/65/89/25/353658925.db2.gz JONNUSVFRJZNGR-CABCVRRESA-N 2 0 292.471 2.622 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCSC2)CC1(C)C ZINC000623525554 353663288 /nfs/dbraw/zinc/66/32/88/353663288.db2.gz RKPCSEVGLSDVNT-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](CO)C(C)C ZINC000623539568 353667695 /nfs/dbraw/zinc/66/76/95/353667695.db2.gz UPJQOJPUHWPWRP-HRCADAONSA-N 2 0 284.488 2.738 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)CC1(C)C ZINC000623539294 353667725 /nfs/dbraw/zinc/66/77/25/353667725.db2.gz IXTLZYSOBSBADO-RYUDHWBXSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cc(F)c(F)c(F)c2)C1 ZINC000623656155 353696712 /nfs/dbraw/zinc/69/67/12/353696712.db2.gz ODHQISZUVDHTNQ-LLVKDONJSA-N 2 0 286.341 2.925 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CO2 ZINC000623608548 353685013 /nfs/dbraw/zinc/68/50/13/353685013.db2.gz QCDMYZTYERFKAW-LSDHHAIUSA-N 2 0 288.435 2.761 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623655527 353697390 /nfs/dbraw/zinc/69/73/90/353697390.db2.gz YXTXWXXMAWJEMA-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623484770 353654395 /nfs/dbraw/zinc/65/43/95/353654395.db2.gz BESBJDGKBTUCHH-AAVRWANBSA-N 2 0 268.445 2.508 20 0 CFADRP COCc1csc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623657756 353699102 /nfs/dbraw/zinc/69/91/02/353699102.db2.gz YGMVVFOUIICUMV-CYBMUJFWSA-N 2 0 282.453 2.716 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC1(C)C ZINC000623741366 353716082 /nfs/dbraw/zinc/71/60/82/353716082.db2.gz OZTZSPJKOXHNIC-FQLMCAECSA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623808207 353728797 /nfs/dbraw/zinc/72/87/97/353728797.db2.gz HSMSIVOXLQXJSF-BRWVUGGUSA-N 2 0 288.435 2.807 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000623970118 353771732 /nfs/dbraw/zinc/77/17/32/353771732.db2.gz FAWVDDRWQPWITN-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000623970119 353772139 /nfs/dbraw/zinc/77/21/39/353772139.db2.gz FAWVDDRWQPWITN-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCCO1 ZINC000623853494 353739948 /nfs/dbraw/zinc/73/99/48/353739948.db2.gz ZYXZRYGYZFAMSH-TZMCWYRMSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000675766296 540009655 /nfs/dbraw/zinc/00/96/55/540009655.db2.gz IWKXFTVYIJIVHJ-NJAFHUGGSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)[C@@H]1CCCCO1 ZINC000624077998 353799711 /nfs/dbraw/zinc/79/97/11/353799711.db2.gz KUMQLZDPZFTTHC-UAGQMJEPSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)[C@H]1CCCCO1 ZINC000624077999 353799881 /nfs/dbraw/zinc/79/98/81/353799881.db2.gz KUMQLZDPZFTTHC-USXIJHARSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624077799 353800039 /nfs/dbraw/zinc/80/00/39/353800039.db2.gz CENITWGNPLBGRO-HOCLYGCPSA-N 2 0 268.445 2.534 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121607 353810415 /nfs/dbraw/zinc/81/04/15/353810415.db2.gz YWGSNRYITXCMNW-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120307 353810436 /nfs/dbraw/zinc/81/04/36/353810436.db2.gz WALUHGUBGAUCIF-HOTGVXAUSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122597 353811828 /nfs/dbraw/zinc/81/18/28/353811828.db2.gz WNZZDOQQBZUJIV-CABCVRRESA-N 2 0 261.413 2.773 20 0 CFADRP Cc1csc([C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000624122928 353812174 /nfs/dbraw/zinc/81/21/74/353812174.db2.gz BHDJPWHJQGOKIG-OLZOCXBDSA-N 2 0 267.442 2.834 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCC[N@H+](C)C3)C[C@H]2C1 ZINC000624123553 353813186 /nfs/dbraw/zinc/81/31/86/353813186.db2.gz NYGHVRNEKRSWFJ-ZOFXXKQRSA-N 2 0 280.456 2.512 20 0 CFADRP C/C=C\C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000624197190 353832169 /nfs/dbraw/zinc/83/21/69/353832169.db2.gz DIIWMHAIMNSCAA-GEXIGZQTSA-N 2 0 262.397 2.854 20 0 CFADRP C[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)C[C@H]2C[C@H]2C1 ZINC000624199437 353832607 /nfs/dbraw/zinc/83/26/07/353832607.db2.gz OQAXJRWMZXEHMP-QLPKVWCKSA-N 2 0 262.441 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)[C@@H](C)C1 ZINC000624313361 353860270 /nfs/dbraw/zinc/86/02/70/353860270.db2.gz KZYSSMNUJVJKST-KKUMJFAQSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000624298645 353856246 /nfs/dbraw/zinc/85/62/46/353856246.db2.gz WDBVJZFFOOBIGB-LLLHUVSDSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](C)C1(F)F ZINC000625652735 354080699 /nfs/dbraw/zinc/08/06/99/354080699.db2.gz GBZZLFRBEKPJFX-XQQFMLRXSA-N 2 0 260.372 2.694 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547159 282997187 /nfs/dbraw/zinc/99/71/87/282997187.db2.gz FURJJWNUECQGKJ-MRXNPFEDSA-N 2 0 260.356 2.712 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256938 282997447 /nfs/dbraw/zinc/99/74/47/282997447.db2.gz GTBHGKSODFBLEJ-MLGOLLRUSA-N 2 0 262.372 2.792 20 0 CFADRP CC[N@H+](CCC(C)(C)O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062348 354183577 /nfs/dbraw/zinc/18/35/77/354183577.db2.gz PICZXFQVYXZAHV-UHFFFAOYSA-N 2 0 278.440 2.731 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)C(C)(C)C ZINC000626063687 354184302 /nfs/dbraw/zinc/18/43/02/354184302.db2.gz MMSOTHUCCDLRQI-KRWDZBQOSA-N 2 0 292.467 2.977 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)CC1 ZINC000271740572 191299383 /nfs/dbraw/zinc/29/93/83/191299383.db2.gz VGSFEYYEKGCVHO-GUYCJALGSA-N 2 0 294.414 2.712 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccccc21 ZINC000165961755 188634480 /nfs/dbraw/zinc/63/44/80/188634480.db2.gz WPNYOCOSTXOFPN-RDJZCZTQSA-N 2 0 276.424 2.620 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628134091 354442838 /nfs/dbraw/zinc/44/28/38/354442838.db2.gz DJFGKTHFSCARCN-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628152742 354449161 /nfs/dbraw/zinc/44/91/61/354449161.db2.gz MNZOBZQORAEIQP-UHFFFAOYSA-N 2 0 286.423 2.727 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000628203291 354474875 /nfs/dbraw/zinc/47/48/75/354474875.db2.gz BIUSFNFRFCWFIJ-SJORKVTESA-N 2 0 282.472 2.905 20 0 CFADRP Cc1ncc(C[NH2+]CCCCC[NH+]2CCCCC2)o1 ZINC000628212273 354478793 /nfs/dbraw/zinc/47/87/93/354478793.db2.gz FCFYDPXRPMPMPE-UHFFFAOYSA-N 2 0 265.401 2.729 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628214034 354479954 /nfs/dbraw/zinc/47/99/54/354479954.db2.gz ILCIMHLBQBZHGI-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000628213787 354480100 /nfs/dbraw/zinc/48/01/00/354480100.db2.gz XWQCSSJTRSHDEQ-KZNAEPCWSA-N 2 0 295.515 2.676 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628323178 354545917 /nfs/dbraw/zinc/54/59/17/354545917.db2.gz FQQCTEBUBCGHPT-LBPRGKRZSA-N 2 0 262.388 2.988 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC000628232614 354491248 /nfs/dbraw/zinc/49/12/48/354491248.db2.gz GJTDNEPOUGWWCF-LBPRGKRZSA-N 2 0 267.417 2.892 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000628322679 354545044 /nfs/dbraw/zinc/54/50/44/354545044.db2.gz IMAXFGKFHQHLHW-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(C4CC4)o3)C2)CC1 ZINC000628280116 354517901 /nfs/dbraw/zinc/51/79/01/354517901.db2.gz QUYDDJNVQJHYOY-OAHLLOKOSA-N 2 0 289.423 2.716 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000628425908 354586183 /nfs/dbraw/zinc/58/61/83/354586183.db2.gz YVNACVUAUSEATO-ZBFHGGJFSA-N 2 0 276.424 2.645 20 0 CFADRP CCCC1CCC(C[NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629388232 354799259 /nfs/dbraw/zinc/79/92/59/354799259.db2.gz OXXWNHYYVJIXOL-UHFFFAOYSA-N 2 0 268.445 2.690 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629389482 354800240 /nfs/dbraw/zinc/80/02/40/354800240.db2.gz YMMGVAHJAFRGEG-IRXDYDNUSA-N 2 0 288.435 2.729 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCOCCC[NH3+])cc1 ZINC000629399425 354802888 /nfs/dbraw/zinc/80/28/88/354802888.db2.gz GIIFLAYJSMOLGD-IRXDYDNUSA-N 2 0 276.424 2.586 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000629401405 354803248 /nfs/dbraw/zinc/80/32/48/354803248.db2.gz AGSMEHYJPWCHAD-RYQLBKOJSA-N 2 0 290.451 2.784 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000629406850 354804049 /nfs/dbraw/zinc/80/40/49/354804049.db2.gz ZHFGERFIGBTMRU-HOCLYGCPSA-N 2 0 296.842 2.802 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000629530694 354833822 /nfs/dbraw/zinc/83/38/22/354833822.db2.gz NNVDIJSCKDAIQS-INIZCTEOSA-N 2 0 276.424 2.506 20 0 CFADRP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000629509085 354822964 /nfs/dbraw/zinc/82/29/64/354822964.db2.gz IMMHWRZWNDBUMA-UHFFFAOYSA-N 2 0 275.440 2.938 20 0 CFADRP CCC[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])OCC ZINC000629515937 354825850 /nfs/dbraw/zinc/82/58/50/354825850.db2.gz VZPCLDKYZGYOOT-UAGQMJEPSA-N 2 0 278.440 2.740 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000629521934 354827872 /nfs/dbraw/zinc/82/78/72/354827872.db2.gz YOUCNVPUIPPHAH-TZMCWYRMSA-N 2 0 261.413 2.683 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629522644 354828506 /nfs/dbraw/zinc/82/85/06/354828506.db2.gz FTURIYJDSCKPHC-KCXAZCMYSA-N 2 0 262.397 2.518 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc2c(s1)CCCC2 ZINC000629524786 354829492 /nfs/dbraw/zinc/82/94/92/354829492.db2.gz PNXXVIHZXSUDLB-GFCCVEGCSA-N 2 0 294.464 2.785 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000629524935 354829819 /nfs/dbraw/zinc/82/98/19/354829819.db2.gz VPRXGTTUXRWHEO-GJZGRUSLSA-N 2 0 275.440 2.917 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000629525408 354829854 /nfs/dbraw/zinc/82/98/54/354829854.db2.gz YLSGCMVBNXUBFL-LSDHHAIUSA-N 2 0 275.440 2.775 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000629524130 354830092 /nfs/dbraw/zinc/83/00/92/354830092.db2.gz LYYZOUGMEHJJSW-SIGVMEELSA-N 2 0 292.467 2.689 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000629527792 354832029 /nfs/dbraw/zinc/83/20/29/354832029.db2.gz GAOKYFAXVYZABM-PQEBFOHHSA-N 2 0 273.424 2.838 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000629527791 354832158 /nfs/dbraw/zinc/83/21/58/354832158.db2.gz GAOKYFAXVYZABM-MXASKKJJSA-N 2 0 273.424 2.838 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000629530170 354832690 /nfs/dbraw/zinc/83/26/90/354832690.db2.gz XHPSAPIROOCHJY-INIZCTEOSA-N 2 0 296.842 2.933 20 0 CFADRP COCc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000629648019 354875265 /nfs/dbraw/zinc/87/52/65/354875265.db2.gz FDCVEHZJTKCEOX-KRWDZBQOSA-N 2 0 288.391 2.996 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CC1=Cc3ccccc3OC1)CC[NH2+]CC2 ZINC000629649860 354876549 /nfs/dbraw/zinc/87/65/49/354876549.db2.gz INIUCINATXAOKH-OAHLLOKOSA-N 2 0 298.430 2.926 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000629651511 354877382 /nfs/dbraw/zinc/87/73/82/354877382.db2.gz IPOXXLQUHRYVJQ-CYBMUJFWSA-N 2 0 272.392 2.522 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000629532620 354835003 /nfs/dbraw/zinc/83/50/03/354835003.db2.gz JXWMAPUHKGBADB-MNOVXSKESA-N 2 0 277.387 2.873 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629534931 354835546 /nfs/dbraw/zinc/83/55/46/354835546.db2.gz BYVRSCTZXORVFU-NSHDSACASA-N 2 0 290.329 2.721 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(-c2ccncc2)c1 ZINC000629534830 354835750 /nfs/dbraw/zinc/83/57/50/354835750.db2.gz BVONOCUZUHXOSD-HNNXBMFYSA-N 2 0 299.418 2.765 20 0 CFADRP CCSc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629537062 354836719 /nfs/dbraw/zinc/83/67/19/354836719.db2.gz IXAQDWBDAWWJDM-ZDUSSCGKSA-N 2 0 282.453 2.815 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629537596 354836832 /nfs/dbraw/zinc/83/68/32/354836832.db2.gz KGIRTHGQQVXGDU-SJORKVTESA-N 2 0 276.424 2.826 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000629537813 354837092 /nfs/dbraw/zinc/83/70/92/354837092.db2.gz KXCXQIUWDAOPHC-KRWDZBQOSA-N 2 0 276.424 2.873 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000629539176 354837843 /nfs/dbraw/zinc/83/78/43/354837843.db2.gz OTFCTBUEZFSPEZ-IBGZPJMESA-N 2 0 298.430 2.925 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629539112 354837925 /nfs/dbraw/zinc/83/79/25/354837925.db2.gz QTEXIGGQXZJEBB-DPYKFYPSSA-N 2 0 273.424 2.936 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000629652682 354878119 /nfs/dbraw/zinc/87/81/19/354878119.db2.gz CFPMQEQMEVABEF-QGZVFWFLSA-N 2 0 278.440 2.594 20 0 CFADRP CCO[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000629543658 354840459 /nfs/dbraw/zinc/84/04/59/354840459.db2.gz CUOSOELFXJFYAT-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP CCO[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000629543659 354840569 /nfs/dbraw/zinc/84/05/69/354840569.db2.gz CUOSOELFXJFYAT-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000629544481 354841650 /nfs/dbraw/zinc/84/16/50/354841650.db2.gz ITLAIGDEGFMLSF-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000629546819 354842874 /nfs/dbraw/zinc/84/28/74/354842874.db2.gz XUGFWZWRDMLCPG-PQEBFOHHSA-N 2 0 258.409 2.738 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629547573 354843829 /nfs/dbraw/zinc/84/38/29/354843829.db2.gz BWZMFOYJKGHXHK-ZIAGYGMSSA-N 2 0 269.392 2.964 20 0 CFADRP c1ccc2c(c1)C=C(C[NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)CO2 ZINC000629654512 354878396 /nfs/dbraw/zinc/87/83/96/354878396.db2.gz QGPLKYKOTXEXNX-GOSISDBHSA-N 2 0 298.430 2.784 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCC2)CC[C@H]1C(F)(F)F ZINC000629560598 354848328 /nfs/dbraw/zinc/84/83/28/354848328.db2.gz DWVSVPLBRHIASD-VXGBXAGGSA-N 2 0 264.335 2.636 20 0 CFADRP CCOCC[N@H+](CCC[NH2+]C)[C@H]1CCc2ccccc21 ZINC000629576479 354848855 /nfs/dbraw/zinc/84/88/55/354848855.db2.gz VOBIONAUOBTZBF-KRWDZBQOSA-N 2 0 276.424 2.622 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000629572088 354849180 /nfs/dbraw/zinc/84/91/80/354849180.db2.gz VXCWXXIGPGMNRR-LBPRGKRZSA-N 2 0 270.804 2.569 20 0 CFADRP C[N@H+](CCCc1cccc2ccccc21)CCOCC[NH3+] ZINC000629578116 354850511 /nfs/dbraw/zinc/85/05/11/354850511.db2.gz GRVOWIOYMXXRJR-UHFFFAOYSA-N 2 0 286.419 2.680 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000629592432 354853972 /nfs/dbraw/zinc/85/39/72/354853972.db2.gz CNKOIILNSRVIDF-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595191 354854648 /nfs/dbraw/zinc/85/46/48/354854648.db2.gz NOFOQEQPMQVDTN-FPMFFAJLSA-N 2 0 260.372 2.599 20 0 CFADRP Nc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC000629730265 354910640 /nfs/dbraw/zinc/91/06/40/354910640.db2.gz FIEXEMWJAAZWSM-UHFFFAOYSA-N 2 0 281.403 2.859 20 0 CFADRP CC(C)CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657299 354880573 /nfs/dbraw/zinc/88/05/73/354880573.db2.gz VXQAPIQRXNCIIH-RYUDHWBXSA-N 2 0 266.351 2.882 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423299277 295892456 /nfs/dbraw/zinc/89/24/56/295892456.db2.gz BOQAARGNZKLRFK-JYBOHDQNSA-N 2 0 266.351 2.928 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271770086 191315184 /nfs/dbraw/zinc/31/51/84/191315184.db2.gz BINONIJURRUUJT-UHFFFAOYSA-N 2 0 290.455 2.606 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1N(C)C ZINC000271833403 191355181 /nfs/dbraw/zinc/35/51/81/191355181.db2.gz FJKVLXKOBMUSQE-CQSZACIVSA-N 2 0 273.424 2.665 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)on1 ZINC000631042042 355261133 /nfs/dbraw/zinc/26/11/33/355261133.db2.gz FVRDNQOVMUNNII-KBPBESRZSA-N 2 0 279.428 2.831 20 0 CFADRP C[NH+](C)CCCNCc1ccccc1CC(F)(F)F ZINC000631032121 355256162 /nfs/dbraw/zinc/25/61/62/355256162.db2.gz UVUSMMXZSWYPJN-UHFFFAOYSA-N 2 0 274.330 2.833 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000271856792 191371155 /nfs/dbraw/zinc/37/11/55/191371155.db2.gz YLIRVQFGKWDOES-IRXDYDNUSA-N 2 0 276.424 2.574 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000271865925 191376760 /nfs/dbraw/zinc/37/67/60/191376760.db2.gz LKRQVLNTOBNKIK-LLVKDONJSA-N 2 0 266.335 2.877 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)nc1 ZINC000271871540 191380888 /nfs/dbraw/zinc/38/08/88/191380888.db2.gz MXEVJRMRPNNDJV-LLVKDONJSA-N 2 0 265.788 2.648 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC000631113448 355299345 /nfs/dbraw/zinc/29/93/45/355299345.db2.gz MJMYCKDXCLMKLP-UHFFFAOYSA-N 2 0 290.382 2.647 20 0 CFADRP COc1cncc(C[NH2+]CCCCC[NH+]2CCCC2)c1C ZINC000631145019 355314195 /nfs/dbraw/zinc/31/41/95/355314195.db2.gz ZLBCUSJFNFTEQX-UHFFFAOYSA-N 2 0 291.439 2.754 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000631245446 355371907 /nfs/dbraw/zinc/37/19/07/355371907.db2.gz MCJKCNNCOSGSPD-IXDOHACOSA-N 2 0 292.467 2.942 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631570273 355493193 /nfs/dbraw/zinc/49/31/93/355493193.db2.gz RVMLZILTTDWMNY-RKVPGOIHSA-N 2 0 286.419 2.899 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631573622 355494938 /nfs/dbraw/zinc/49/49/38/355494938.db2.gz ZRYOTAJGHKSUOR-QZWWFDLISA-N 2 0 292.467 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631564281 355489349 /nfs/dbraw/zinc/48/93/49/355489349.db2.gz HVFVKJBRENLJDV-SJORKVTESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CCN1C ZINC000631653429 355533934 /nfs/dbraw/zinc/53/39/34/355533934.db2.gz HXEYNSKNZNWZOV-SVGFKBNWSA-N 2 0 274.408 2.589 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCOC1 ZINC000631664248 355536444 /nfs/dbraw/zinc/53/64/44/355536444.db2.gz NCTJCHBPEIVWCC-KBAYOESNSA-N 2 0 288.435 2.523 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661595 355536604 /nfs/dbraw/zinc/53/66/04/355536604.db2.gz ACYBGDYJVSUYOY-LISAXSMJSA-N 2 0 290.451 2.768 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCOC1 ZINC000631664250 355536846 /nfs/dbraw/zinc/53/68/46/355536846.db2.gz NCTJCHBPEIVWCC-NXHRZFHOSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1C[NH3+] ZINC000631828755 355596909 /nfs/dbraw/zinc/59/69/09/355596909.db2.gz XISVECFYPKAWAA-KEYYUXOJSA-N 2 0 288.435 2.565 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000631829569 355596967 /nfs/dbraw/zinc/59/69/67/355596967.db2.gz UQTCISIHYGJKAG-OAHLLOKOSA-N 2 0 287.451 2.971 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000631827708 355597477 /nfs/dbraw/zinc/59/74/77/355597477.db2.gz UWZWKKVIAUQERP-IHRRRGAJSA-N 2 0 272.383 2.743 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889596 355615882 /nfs/dbraw/zinc/61/58/82/355615882.db2.gz IAKPSDPYTDGJQE-DLBZAZTESA-N 2 0 288.435 2.702 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837604 355601439 /nfs/dbraw/zinc/60/14/39/355601439.db2.gz VFLSZOJNONAIHU-CJNGLKHVSA-N 2 0 276.424 2.845 20 0 CFADRP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631839532 355603202 /nfs/dbraw/zinc/60/32/02/355603202.db2.gz HIKIXPAIEJAFCC-UKRRQHHQSA-N 2 0 262.397 2.500 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C)s1 ZINC000631887610 355614085 /nfs/dbraw/zinc/61/40/85/355614085.db2.gz PJYAOBXRINPCEX-UKRRQHHQSA-N 2 0 264.438 2.939 20 0 CFADRP Fc1ccc(SCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631890676 355617046 /nfs/dbraw/zinc/61/70/46/355617046.db2.gz RSHIKDMVEQBDGX-CZUORRHYSA-N 2 0 294.439 2.992 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000453311581 283138071 /nfs/dbraw/zinc/13/80/71/283138071.db2.gz GNAAODZQNLJADU-WCXIOVBPSA-N 2 0 292.467 2.798 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000334846835 540253808 /nfs/dbraw/zinc/25/38/08/540253808.db2.gz ROBOADJIGVPBFI-OLZOCXBDSA-N 2 0 262.328 2.931 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2s1 ZINC000334849668 540254064 /nfs/dbraw/zinc/25/40/64/540254064.db2.gz YEZHZKSRHQIFIQ-OLZOCXBDSA-N 2 0 275.421 2.964 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000273815922 192318185 /nfs/dbraw/zinc/31/81/85/192318185.db2.gz BXONQORCJWCKKI-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000567915242 290504877 /nfs/dbraw/zinc/50/48/77/290504877.db2.gz LVXHYWDXGLHBDF-NWDGAFQWSA-N 2 0 268.788 2.578 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000333288277 283263568 /nfs/dbraw/zinc/26/35/68/283263568.db2.gz NYFCUXPDTYCWKZ-BFHYXJOUSA-N 2 0 279.428 2.592 20 0 CFADRP C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)[C@@H](C[NH3+])C1 ZINC000420258351 290593004 /nfs/dbraw/zinc/59/30/04/290593004.db2.gz KCRZFBSVPIPYTE-WCQYABFASA-N 2 0 273.355 2.938 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068113 540282410 /nfs/dbraw/zinc/28/24/10/540282410.db2.gz OBMAZHSZQSBTMM-IRXDYDNUSA-N 2 0 288.435 2.980 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065417 540282516 /nfs/dbraw/zinc/28/25/16/540282516.db2.gz BQHUSAGGZLVTPS-IKGGRYGDSA-N 2 0 270.420 2.933 20 0 CFADRP C[NH+](C)CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000339070286 540283979 /nfs/dbraw/zinc/28/39/79/540283979.db2.gz KYQLLPRPEJBNKF-JYJNAYRXSA-N 2 0 281.488 2.569 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000355222481 540297263 /nfs/dbraw/zinc/29/72/63/540297263.db2.gz NOFKGDMFRMAAEI-DLBZAZTESA-N 2 0 288.435 2.920 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000233757272 540300025 /nfs/dbraw/zinc/30/00/25/540300025.db2.gz LKISTORWUGGOPH-CVEARBPZSA-N 2 0 274.408 2.583 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000234068526 540307288 /nfs/dbraw/zinc/30/72/88/540307288.db2.gz RSIFUUNBWIGGDF-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CCC[NH2+]C1 ZINC000422927309 299267708 /nfs/dbraw/zinc/26/77/08/299267708.db2.gz GBFXPJINDDMHBM-NJFDFINFSA-N 2 0 262.441 2.789 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449383809 283320844 /nfs/dbraw/zinc/32/08/44/283320844.db2.gz KFZKNSYFJVPWPI-SFHVURJKSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000235368121 540363294 /nfs/dbraw/zinc/36/32/94/540363294.db2.gz NLAHNUZXCNCAGY-IJLUTSLNSA-N 2 0 264.335 2.649 20 0 CFADRP COCc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000151227324 540368535 /nfs/dbraw/zinc/36/85/35/540368535.db2.gz QGKADMVYJCVXKQ-ZDUSSCGKSA-N 2 0 294.414 2.792 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@H](C)C1 ZINC000294831323 199203590 /nfs/dbraw/zinc/20/35/90/199203590.db2.gz QANRFNBXVHQXMQ-HUUCEWRRSA-N 2 0 275.440 2.679 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)on1 ZINC000420320478 236616438 /nfs/dbraw/zinc/61/64/38/236616438.db2.gz QHRZQVOJCVPAJM-UONOGXRCSA-N 2 0 263.385 2.510 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000193983997 295974818 /nfs/dbraw/zinc/97/48/18/295974818.db2.gz YPUJTMMUKYZWSL-VVLHAWIVSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420385816 236634657 /nfs/dbraw/zinc/63/46/57/236634657.db2.gz IEBQGYMENSCYTG-ZTFGCOKTSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000297299035 299286398 /nfs/dbraw/zinc/28/63/98/299286398.db2.gz HNIDYVQCKSVOGV-AWEZNQCLSA-N 2 0 260.425 2.942 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2ccccc21 ZINC000423455618 283417803 /nfs/dbraw/zinc/41/78/03/283417803.db2.gz CTNWAQJLPAMBDP-ZBAHALTISA-N 2 0 256.393 2.779 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccncn1 ZINC000453067228 299289161 /nfs/dbraw/zinc/28/91/61/299289161.db2.gz XJUQKXMGJPOMLT-CABCVRRESA-N 2 0 276.428 2.782 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(N)ccc32)CC1 ZINC000094075421 540442119 /nfs/dbraw/zinc/44/21/19/540442119.db2.gz OUXCWNLJKIYAKQ-KRWDZBQOSA-N 2 0 273.424 2.720 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000094528212 540451682 /nfs/dbraw/zinc/45/16/82/540451682.db2.gz UHZVLKLFQDTOIV-UHFFFAOYSA-N 2 0 258.409 2.995 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000094472613 540452003 /nfs/dbraw/zinc/45/20/03/540452003.db2.gz YMQAAMUVFHFDFJ-OCCSQVGLSA-N 2 0 256.459 2.735 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC23CCC3)CC1 ZINC000669703123 540517244 /nfs/dbraw/zinc/51/72/44/540517244.db2.gz INUKDUJGGQXHBX-MRXNPFEDSA-N 2 0 286.423 2.578 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422737358 237151057 /nfs/dbraw/zinc/15/10/57/237151057.db2.gz XMALXXGLFKZCPB-HRCADAONSA-N 2 0 294.826 2.587 20 0 CFADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H](C)C2C[NH2+]C2)c1C ZINC000422739404 237151859 /nfs/dbraw/zinc/15/18/59/237151859.db2.gz LDFBNRDZWMQERS-CYBMUJFWSA-N 2 0 271.408 2.791 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422737356 237152581 /nfs/dbraw/zinc/15/25/81/237152581.db2.gz XMALXXGLFKZCPB-ARFHVFGLSA-N 2 0 294.826 2.587 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000422710587 237129074 /nfs/dbraw/zinc/12/90/74/237129074.db2.gz LOBKIMUACWLGFG-GDBMZVCRSA-N 2 0 278.440 2.696 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000422710756 237129179 /nfs/dbraw/zinc/12/91/79/237129179.db2.gz LOBKIMUACWLGFG-ZBFHGGJFSA-N 2 0 278.440 2.696 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CCCCC1)C1CC[NH+](C)CC1 ZINC000152690920 540510236 /nfs/dbraw/zinc/51/02/36/540510236.db2.gz RNBPCYZCWQTWLB-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000422713627 237131268 /nfs/dbraw/zinc/13/12/68/237131268.db2.gz KDOANYQASDAFRS-BFHYXJOUSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422720746 237135293 /nfs/dbraw/zinc/13/52/93/237135293.db2.gz SZXINNXWUCJZQH-WFASDCNBSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1C[NH2+]C1 ZINC000422722934 237139308 /nfs/dbraw/zinc/13/93/08/237139308.db2.gz ZCXHKTJRBBIHCD-ZBEGNZNMSA-N 2 0 262.372 2.864 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422769713 237184214 /nfs/dbraw/zinc/18/42/14/237184214.db2.gz PFODEOZYRWLVPN-UONOGXRCSA-N 2 0 269.392 2.964 20 0 CFADRP C[C@@H](COc1ccc(F)cc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422769601 237184250 /nfs/dbraw/zinc/18/42/50/237184250.db2.gz VRGDMULJPBURQD-RAQOOLMWSA-N 2 0 296.361 2.605 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000422772017 237189140 /nfs/dbraw/zinc/18/91/40/237189140.db2.gz XVHWLTCHTUOCQI-UHOFOFEASA-N 2 0 295.858 2.660 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000422775147 237192251 /nfs/dbraw/zinc/19/22/51/237192251.db2.gz AIOTUOXQMFZREU-JSGCOSHPSA-N 2 0 293.842 2.506 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000422744504 237157738 /nfs/dbraw/zinc/15/77/38/237157738.db2.gz KECYFSOZQZNUML-DGXTUMSLSA-N 2 0 268.445 2.545 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@H]1[NH3+] ZINC000251583567 540541070 /nfs/dbraw/zinc/54/10/70/540541070.db2.gz CKKVFMNFHQNRHN-UKRRQHHQSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422744100 237159426 /nfs/dbraw/zinc/15/94/26/237159426.db2.gz SHALONGNFKCARB-CWLKWCNXSA-N 2 0 287.451 2.552 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422748494 237161941 /nfs/dbraw/zinc/16/19/41/237161941.db2.gz UTCRHEYOKCGSJD-HRCADAONSA-N 2 0 294.826 2.587 20 0 CFADRP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422751145 237166420 /nfs/dbraw/zinc/16/64/20/237166420.db2.gz FFJNYEOHUQFVKY-IMJJTQAJSA-N 2 0 292.398 2.715 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422773749 237191550 /nfs/dbraw/zinc/19/15/50/237191550.db2.gz UXIGYAJXXLUHQJ-KGLIPLIRSA-N 2 0 268.401 2.528 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774314 237191604 /nfs/dbraw/zinc/19/16/04/237191604.db2.gz WOJBLULFYYLKII-YOEHRIQHSA-N 2 0 288.435 2.953 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000422757668 237173941 /nfs/dbraw/zinc/17/39/41/237173941.db2.gz IAGYGLZUKZKCQF-HUUCEWRRSA-N 2 0 250.361 2.618 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422760224 237176538 /nfs/dbraw/zinc/17/65/38/237176538.db2.gz GNYJUBBBRMIJII-QWHCGFSZSA-N 2 0 270.829 2.902 20 0 CFADRP CC1(C)CCC(O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000251130738 540534141 /nfs/dbraw/zinc/53/41/41/540534141.db2.gz GVTPUDBIISTUCT-GJZGRUSLSA-N 2 0 280.456 2.534 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422801552 237223816 /nfs/dbraw/zinc/22/38/16/237223816.db2.gz FWIVEMJVLAKDPL-VPSFDDGASA-N 2 0 270.420 2.979 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1F ZINC000422799628 237224213 /nfs/dbraw/zinc/22/42/13/237224213.db2.gz XSTUCLQAWIBXIN-FZQKWOKYSA-N 2 0 254.324 2.538 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@H]1[NH3+] ZINC000251771914 540551269 /nfs/dbraw/zinc/55/12/69/540551269.db2.gz MMYYVBPAWHTBPJ-GDBMZVCRSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2cc(C)ccc2C)CC[C@H]1[NH3+] ZINC000251842830 540552826 /nfs/dbraw/zinc/55/28/26/540552826.db2.gz QZHNPQLDLNUEGV-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Oc1ccccc1F ZINC000422778409 237196262 /nfs/dbraw/zinc/19/62/62/237196262.db2.gz ANVKTQFRRKXBTK-BPLDGKMQSA-N 2 0 280.387 2.843 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])c[nH]c21 ZINC000422780280 237197465 /nfs/dbraw/zinc/19/74/65/237197465.db2.gz JHXNYWAOZZZHNP-BBRMVZONSA-N 2 0 271.408 2.736 20 0 CFADRP COc1cccc(O[C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422781490 237203644 /nfs/dbraw/zinc/20/36/44/237203644.db2.gz FDMXUYKOTWTMSU-NFOMZHRRSA-N 2 0 292.423 2.570 20 0 CFADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422785560 237204730 /nfs/dbraw/zinc/20/47/30/237204730.db2.gz PKWGAIATAGPEKD-DOTOQJQBSA-N 2 0 277.456 2.705 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422784675 237205433 /nfs/dbraw/zinc/20/54/33/237205433.db2.gz QCWKUAUMGUKVPB-OBJOEFQTSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1F ZINC000422788348 237208262 /nfs/dbraw/zinc/20/82/62/237208262.db2.gz NBLMRYZTVRBXOJ-NFAWXSAZSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1F ZINC000422788347 237210110 /nfs/dbraw/zinc/21/01/10/237210110.db2.gz NBLMRYZTVRBXOJ-GZBFAFLISA-N 2 0 280.387 2.571 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790155 237212773 /nfs/dbraw/zinc/21/27/73/237212773.db2.gz PCTGEYSWGIYSDD-ZWKOTPCHSA-N 2 0 287.451 2.642 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422792895 237215016 /nfs/dbraw/zinc/21/50/16/237215016.db2.gz ZZPYTVJPRRLHNB-JQFCIGGWSA-N 2 0 290.451 2.826 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422793733 237216049 /nfs/dbraw/zinc/21/60/49/237216049.db2.gz SRGYZJRYULMZOU-BFYDXBDKSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422794572 237217117 /nfs/dbraw/zinc/21/71/17/237217117.db2.gz ZBQPYJNXACJHIN-QAPCUYQASA-N 2 0 287.451 2.513 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422795528 237217391 /nfs/dbraw/zinc/21/73/91/237217391.db2.gz VWPHLWCDRSEOLW-KFWWJZLASA-N 2 0 292.423 2.570 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000422816174 237243721 /nfs/dbraw/zinc/24/37/21/237243721.db2.gz ZHIDZUHORLITLY-SOUVJXGZSA-N 2 0 270.461 2.948 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422818880 237246326 /nfs/dbraw/zinc/24/63/26/237246326.db2.gz HHMHGQXLSJZUAA-WFASDCNBSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1cc(CN2CCC[C@H]([NH+](C)C)CC2)cs1 ZINC000297055622 200073668 /nfs/dbraw/zinc/07/36/68/200073668.db2.gz YUDALBIFBYYNGN-AWEZNQCLSA-N 2 0 252.427 2.973 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCOc1ccc(F)cc1 ZINC000422825977 237255163 /nfs/dbraw/zinc/25/51/63/237255163.db2.gz BGEXHKUBECFHDR-STQMWFEESA-N 2 0 268.376 2.700 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831068 237255913 /nfs/dbraw/zinc/25/59/13/237255913.db2.gz SJEFTULOQKZLJK-ZIAGYGMSSA-N 3 0 295.496 2.676 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000422806438 237230148 /nfs/dbraw/zinc/23/01/48/237230148.db2.gz KRENWEHXKDWCLU-IAGOWNOFSA-N 2 0 296.430 2.736 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422809727 237233177 /nfs/dbraw/zinc/23/31/77/237233177.db2.gz QHYAIUSJSPDGSO-OKZBNKHCSA-N 2 0 288.435 2.843 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422809722 237234350 /nfs/dbraw/zinc/23/43/50/237234350.db2.gz QHHYMJAGYZAJFS-JKSUJKDBSA-N 2 0 262.397 2.583 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422814362 237239041 /nfs/dbraw/zinc/23/90/41/237239041.db2.gz UMUWCZJNRPWKIR-JKSUJKDBSA-N 2 0 258.409 2.968 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000422814628 237240680 /nfs/dbraw/zinc/24/06/80/237240680.db2.gz VQRFPNVOFQFZBR-DLBZAZTESA-N 2 0 278.440 2.770 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422814491 237240717 /nfs/dbraw/zinc/24/07/17/237240717.db2.gz VDBQACMGYLMPPN-WMZOPIPTSA-N 2 0 284.403 2.936 20 0 CFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)n1 ZINC000422861148 237282301 /nfs/dbraw/zinc/28/23/01/237282301.db2.gz MHPNRDBTFGTAJK-ROUUACIJSA-N 2 0 298.434 2.501 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422866871 237286391 /nfs/dbraw/zinc/28/63/91/237286391.db2.gz RIOJSNIPTHEEGX-MLGOLLRUSA-N 2 0 264.388 2.654 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950945 540595888 /nfs/dbraw/zinc/59/58/88/540595888.db2.gz SCLXGOMCFFABLA-CQSZACIVSA-N 2 0 262.422 2.640 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422840989 237264518 /nfs/dbraw/zinc/26/45/18/237264518.db2.gz CLTPRNMRBGMJLG-CZUORRHYSA-N 2 0 271.408 2.749 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)c[nH]c2c1 ZINC000422842398 237267509 /nfs/dbraw/zinc/26/75/09/237267509.db2.gz FTGHNNDIMKYPFY-WMLDXEAASA-N 2 0 285.435 2.997 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422843501 237268127 /nfs/dbraw/zinc/26/81/27/237268127.db2.gz INLVBWSMJUFJLS-HUUCEWRRSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422844144 237269235 /nfs/dbraw/zinc/26/92/35/237269235.db2.gz KYJKINLSLPQQIL-INIZCTEOSA-N 2 0 290.451 2.842 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422848573 237270222 /nfs/dbraw/zinc/27/02/22/237270222.db2.gz AVIVFXWFZKHSPQ-XYPWUTKMSA-N 2 0 262.372 2.549 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2s1 ZINC000666857704 540587753 /nfs/dbraw/zinc/58/77/53/540587753.db2.gz FYDUAWBBEIHWEP-CYBMUJFWSA-N 2 0 275.421 2.836 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422849412 237273879 /nfs/dbraw/zinc/27/38/79/237273879.db2.gz BXOHKIMWJUJHMS-CVEARBPZSA-N 2 0 264.388 2.926 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)sc1C ZINC000422888004 237308843 /nfs/dbraw/zinc/30/88/43/237308843.db2.gz BVOKFEVASJXOKX-RRFJBIMHSA-N 2 0 293.480 2.813 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)C[C@H](C)[NH3+])n1 ZINC000422890833 237313313 /nfs/dbraw/zinc/31/33/13/237313313.db2.gz TWYDHJGRSKQUOO-QWHCGFSZSA-N 2 0 286.423 2.705 20 0 CFADRP C[C@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422979275 299295201 /nfs/dbraw/zinc/29/52/01/299295201.db2.gz IXRPEFRHTAXBOZ-KSSFIOAISA-N 2 0 288.435 2.668 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422899774 237324810 /nfs/dbraw/zinc/32/48/10/237324810.db2.gz PDWRCYKOPKENDU-OAHLLOKOSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422905896 237325984 /nfs/dbraw/zinc/32/59/84/237325984.db2.gz ZSLMEKPXJSRDRP-CVEARBPZSA-N 2 0 289.467 2.675 20 0 CFADRP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422905888 237326297 /nfs/dbraw/zinc/32/62/97/237326297.db2.gz ZRWDEAZHOPOONO-HUUCEWRRSA-N 2 0 264.413 2.788 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422909913 237333020 /nfs/dbraw/zinc/33/30/20/237333020.db2.gz PKMNIWXOKNNMPK-QRTARXTBSA-N 2 0 258.409 2.837 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422913255 237336541 /nfs/dbraw/zinc/33/65/41/237336541.db2.gz XZSYJYUBPJFIEO-UONOGXRCSA-N 2 0 262.422 2.781 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422913157 237336837 /nfs/dbraw/zinc/33/68/37/237336837.db2.gz PBXSULPDZPAUHR-RWSFTLGLSA-N 2 0 282.815 2.614 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422920003 237351353 /nfs/dbraw/zinc/35/13/53/237351353.db2.gz LLYQKDYWKQLYOJ-DDTOSNHZSA-N 2 0 268.788 2.577 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422946036 237373900 /nfs/dbraw/zinc/37/39/00/237373900.db2.gz ODJIPUYXXHCHSK-VXGBXAGGSA-N 2 0 297.830 2.774 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422926336 237356768 /nfs/dbraw/zinc/35/67/68/237356768.db2.gz WMGRQBPCYBACBA-SDDRHHMPSA-N 2 0 270.804 2.823 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(O)cc2)C1 ZINC000679393212 540632178 /nfs/dbraw/zinc/63/21/78/540632178.db2.gz HXANSPKJEFTEDY-HNNXBMFYSA-N 2 0 276.424 2.994 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422917154 237343934 /nfs/dbraw/zinc/34/39/34/237343934.db2.gz CQNZAJMOBNTDTG-WFASDCNBSA-N 2 0 268.376 2.620 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000297411059 200181161 /nfs/dbraw/zinc/18/11/61/200181161.db2.gz NUJPHKJCQLIZQU-KRWDZBQOSA-N 2 0 273.424 2.563 20 0 CFADRP Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422951957 237381746 /nfs/dbraw/zinc/38/17/46/237381746.db2.gz AYXIGMVVOCZUSL-VYDXJSESSA-N 2 0 292.471 2.728 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953772 237382439 /nfs/dbraw/zinc/38/24/39/237382439.db2.gz GHNRUXJGPHJZJD-HOTGVXAUSA-N 2 0 291.464 2.527 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953773 237383600 /nfs/dbraw/zinc/38/36/00/237383600.db2.gz GHNRUXJGPHJZJD-HZPDHXFCSA-N 2 0 291.464 2.527 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422957414 237385891 /nfs/dbraw/zinc/38/58/91/237385891.db2.gz TZUQJWKHIBNYEZ-HOTGVXAUSA-N 2 0 299.418 2.721 20 0 CFADRP C[C@@H](CCC[NH3+])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957456 237386145 /nfs/dbraw/zinc/38/61/45/237386145.db2.gz UGHCTTCLECJCEY-AWEZNQCLSA-N 2 0 293.480 2.775 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000422960559 237389058 /nfs/dbraw/zinc/38/90/58/237389058.db2.gz WWIJBMDZJFHMCW-GXTWGEPZSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422967090 237396510 /nfs/dbraw/zinc/39/65/10/237396510.db2.gz SHPXBKUEUBQDHZ-MSOLQXFVSA-N 2 0 298.434 2.583 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000422989969 237421135 /nfs/dbraw/zinc/42/11/35/237421135.db2.gz MSOLDWWTUAIJQT-CQSZACIVSA-N 2 0 286.423 2.788 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423014075 237437989 /nfs/dbraw/zinc/43/79/89/237437989.db2.gz OCGAWQSSTILPNW-DOTOQJQBSA-N 2 0 294.414 2.929 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423048696 237479438 /nfs/dbraw/zinc/47/94/38/237479438.db2.gz IKFZJPAGBOAGPP-DLBZAZTESA-N 2 0 288.435 2.843 20 0 CFADRP Fc1cccc(NCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423029010 237457753 /nfs/dbraw/zinc/45/77/53/237457753.db2.gz HHRAWPHOLXVNQU-XYPWUTKMSA-N 2 0 277.387 2.500 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423075587 237509192 /nfs/dbraw/zinc/50/91/92/237509192.db2.gz OVRAIONPHLWWKD-VWYCJHECSA-N 2 0 252.324 2.838 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1O ZINC000297663834 200255907 /nfs/dbraw/zinc/25/59/07/200255907.db2.gz OAONYFPGJRBNJF-HUUCEWRRSA-N 2 0 292.423 2.753 20 0 CFADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000403845615 540674394 /nfs/dbraw/zinc/67/43/94/540674394.db2.gz QPVXXMFAQWJSGS-SJORKVTESA-N 2 0 288.435 2.722 20 0 CFADRP C[N@@H+](Cc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000258782041 540673326 /nfs/dbraw/zinc/67/33/26/540673326.db2.gz BJBUTZPERQOVMI-CQSZACIVSA-N 2 0 254.377 2.881 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404341681 540677784 /nfs/dbraw/zinc/67/77/84/540677784.db2.gz DYWOOXCSZKTOGQ-HYVNUMGLSA-N 2 0 276.424 2.823 20 0 CFADRP Clc1cccc(CC[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000298220175 200364322 /nfs/dbraw/zinc/36/43/22/200364322.db2.gz AGKBRQIJEYQCIW-UHFFFAOYSA-N 2 0 296.842 2.585 20 0 CFADRP CC[N@H+](CCC[NH2+]C)[C@@H](C)c1cccc(OC)c1 ZINC000435876679 240363035 /nfs/dbraw/zinc/36/30/35/240363035.db2.gz ZHOVRDQBDUKOBW-ZDUSSCGKSA-N 2 0 250.386 2.688 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H](c2cnn(C)c2)c2ccccc2)CC[N@@H+]1C ZINC000346881770 540693022 /nfs/dbraw/zinc/69/30/22/540693022.db2.gz XSMOIUNLKWXWEJ-JLSDUUJJSA-N 2 0 298.434 2.582 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000162082028 540702834 /nfs/dbraw/zinc/70/28/34/540702834.db2.gz AKZWBLSKZUESLP-GOEBONIOSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422850862 299308594 /nfs/dbraw/zinc/30/85/94/299308594.db2.gz OHXHDRHBGSUTRD-HOSYDEDBSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@@H](c1ccccn1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000177201688 189036353 /nfs/dbraw/zinc/03/63/53/189036353.db2.gz CTOVUIAVZBOPBW-AWEZNQCLSA-N 2 0 261.413 2.806 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000177291170 189042032 /nfs/dbraw/zinc/04/20/32/189042032.db2.gz OGXUZEYTRFIHLS-NVXWUHKLSA-N 2 0 272.436 2.939 20 0 CFADRP c1[nH]nc2cc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)ccc12 ZINC000671301086 540707262 /nfs/dbraw/zinc/70/72/62/540707262.db2.gz FMDBNLYNDQOQHX-UHFFFAOYSA-N 2 0 298.434 2.569 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000219315547 540731222 /nfs/dbraw/zinc/73/12/22/540731222.db2.gz XIGKYGCMRCBXKM-MSOLQXFVSA-N 2 0 290.451 2.881 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCOc1ccccc1)C2 ZINC000383303237 540733298 /nfs/dbraw/zinc/73/32/98/540733298.db2.gz NXQMDTCHZAAAKL-RDJZCZTQSA-N 2 0 274.408 2.516 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCC1 ZINC000178186758 189096307 /nfs/dbraw/zinc/09/63/07/189096307.db2.gz GNXLBALVCUQGKT-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc([S@](C)=O)cc1 ZINC000178413631 189114275 /nfs/dbraw/zinc/11/42/75/189114275.db2.gz DHPJPHGEPXPQAA-VLIAUNLRSA-N 2 0 294.464 2.561 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000411762296 540789421 /nfs/dbraw/zinc/78/94/21/540789421.db2.gz XBOCIBRYTVGQEX-BRWVUGGUSA-N 2 0 256.393 2.570 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422771471 296021012 /nfs/dbraw/zinc/02/10/12/296021012.db2.gz YFNWTLGJWXXTMU-MNOVXSKESA-N 2 0 263.360 2.565 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000178683463 189137127 /nfs/dbraw/zinc/13/71/27/189137127.db2.gz AZCMZGYXWGYMCE-RHSMWYFYSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000385685596 540818207 /nfs/dbraw/zinc/81/82/07/540818207.db2.gz CACKYUVEAYQEIU-KRWDZBQOSA-N 2 0 295.515 2.817 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CCC[NH2+]C)C12CCCCC2 ZINC000435879496 240364365 /nfs/dbraw/zinc/36/43/65/240364365.db2.gz KNXNLPPVRJUWDZ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000332300155 283584108 /nfs/dbraw/zinc/58/41/08/283584108.db2.gz NCJGXGJXGNXERO-TYNCELHUSA-N 2 0 260.381 2.629 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H]2CCCOC2)C1 ZINC000674301688 540819939 /nfs/dbraw/zinc/81/99/39/540819939.db2.gz FQEZQRATUPPRQV-BRWVUGGUSA-N 2 0 280.456 2.752 20 0 CFADRP Fc1cccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178957766 189157141 /nfs/dbraw/zinc/15/71/41/189157141.db2.gz YOESRJUFKAENOU-MRXNPFEDSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000423094069 238197670 /nfs/dbraw/zinc/19/76/70/238197670.db2.gz JFRTYFBUUQTTLJ-HVZNVFPESA-N 2 0 250.430 2.931 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098708 238199951 /nfs/dbraw/zinc/19/99/51/238199951.db2.gz DJLWAMPTOWDRNO-UONOGXRCSA-N 2 0 277.799 2.764 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccccn2)CCC1 ZINC000423100098 238200687 /nfs/dbraw/zinc/20/06/87/238200687.db2.gz BLPGAZFOBYSHIN-AWEZNQCLSA-N 2 0 261.413 2.610 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)c2ccccc21 ZINC000423097582 238200771 /nfs/dbraw/zinc/20/07/71/238200771.db2.gz JLQZPTDTBWGEAL-QGTPRVQTSA-N 2 0 288.435 2.910 20 0 CFADRP c1ccc(OCC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178965404 189157624 /nfs/dbraw/zinc/15/76/24/189157624.db2.gz YXQVCSRHDSNHSJ-UHFFFAOYSA-N 2 0 288.435 2.777 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423122457 238213060 /nfs/dbraw/zinc/21/30/60/238213060.db2.gz CHDKNTJPVGZYBW-IRXDYDNUSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122885 238213140 /nfs/dbraw/zinc/21/31/40/238213140.db2.gz LKECXXXZDIXRIJ-WMHQRMGPSA-N 2 0 262.397 2.622 20 0 CFADRP FC(F)(F)c1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000423121727 238213229 /nfs/dbraw/zinc/21/32/29/238213229.db2.gz BHCDMTMNOLYBEA-FUNVUKJBSA-N 2 0 299.340 2.516 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414925348 540830888 /nfs/dbraw/zinc/83/08/88/540830888.db2.gz LQDWFUKKOLBCJY-LMSBXDPUSA-N 2 0 293.499 2.889 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000414925776 540831199 /nfs/dbraw/zinc/83/11/99/540831199.db2.gz MCLBOAIIKUVFKS-VXGBXAGGSA-N 2 0 256.752 2.839 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OC ZINC000414925772 540831288 /nfs/dbraw/zinc/83/12/88/540831288.db2.gz MBSAPYDYUMULSZ-VXGBXAGGSA-N 2 0 298.814 2.717 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414922018 540831372 /nfs/dbraw/zinc/83/13/72/540831372.db2.gz GAKSHHJISAKAGS-HZPDHXFCSA-N 2 0 284.407 2.745 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414930053 540831449 /nfs/dbraw/zinc/83/14/49/540831449.db2.gz SJBGTGGZCGABIY-YESZJQIVSA-N 2 0 294.414 2.633 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000423126839 238218101 /nfs/dbraw/zinc/21/81/01/238218101.db2.gz OXNNNHLUTZDXBC-SOUVJXGZSA-N 2 0 264.413 2.697 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000414932911 540831678 /nfs/dbraw/zinc/83/16/78/540831678.db2.gz WEMUXSYPNMYNMK-QEJZJMRPSA-N 2 0 294.414 2.872 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423127872 238218837 /nfs/dbraw/zinc/21/88/37/238218837.db2.gz PVEXGDVJWLNPTL-ZIAGYGMSSA-N 2 0 256.434 2.546 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)c2ccccc21 ZINC000423129531 238219048 /nfs/dbraw/zinc/21/90/48/238219048.db2.gz FDYYZQPOPAYAIF-ZTFGCOKTSA-N 2 0 288.435 2.910 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414934870 540832026 /nfs/dbraw/zinc/83/20/26/540832026.db2.gz YGSXOHWXTSSQEI-RRFJBIMHSA-N 2 0 289.423 2.572 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423101964 238202656 /nfs/dbraw/zinc/20/26/56/238202656.db2.gz WSCBXZNKAKVYGV-FDYHWXHSSA-N 2 0 250.361 2.787 20 0 CFADRP CCCC[C@H](CC)CC[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045178 540833234 /nfs/dbraw/zinc/83/32/34/540833234.db2.gz STZHDDCJIHAKDT-GJZGRUSLSA-N 2 0 256.434 2.561 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423107657 238204941 /nfs/dbraw/zinc/20/49/41/238204941.db2.gz LFPCHMPHNQETAS-WRQOLXDDSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179103717 189169961 /nfs/dbraw/zinc/16/99/61/189169961.db2.gz ORZWHFJGVORXDU-VXGBXAGGSA-N 2 0 279.815 2.870 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118233 238209715 /nfs/dbraw/zinc/20/97/15/238209715.db2.gz ZMBOVDNZVQXUOY-VPZVSGPOSA-N 2 0 288.435 2.522 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCCCC1 ZINC000423139087 238227082 /nfs/dbraw/zinc/22/70/82/238227082.db2.gz KGKVLVSLOLLOHI-HUUCEWRRSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423138763 238227481 /nfs/dbraw/zinc/22/74/81/238227481.db2.gz TZOXKIABGCPWJB-KBPBESRZSA-N 2 0 260.406 2.913 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423142562 238228119 /nfs/dbraw/zinc/22/81/19/238228119.db2.gz AOGFNSPIWZENPS-HLLBOEOZSA-N 2 0 258.409 2.824 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000423144097 238231961 /nfs/dbraw/zinc/23/19/61/238231961.db2.gz YLLLGNBUJJPMLK-AWEZNQCLSA-N 2 0 263.429 2.775 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423148622 238232912 /nfs/dbraw/zinc/23/29/12/238232912.db2.gz WEBJEISIBVQNCF-QWRGUYRKSA-N 2 0 250.361 2.919 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423147252 238234236 /nfs/dbraw/zinc/23/42/36/238234236.db2.gz RMRQYTFMDIMWEO-CXAGYDPISA-N 2 0 276.424 2.969 20 0 CFADRP FC1(F)CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423151070 238235724 /nfs/dbraw/zinc/23/57/24/238235724.db2.gz ZTAGTXPGSOAAEB-ACJTYDJDSA-N 2 0 258.356 2.685 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423148751 238236759 /nfs/dbraw/zinc/23/67/59/238236759.db2.gz WLLGWMVDWTVPJS-WPUCRFQZSA-N 2 0 292.398 2.545 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670266560 540847793 /nfs/dbraw/zinc/84/77/93/540847793.db2.gz KZYBPMGBTMCQAV-MRXNPFEDSA-N 2 0 283.504 2.676 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423134431 238221961 /nfs/dbraw/zinc/22/19/61/238221961.db2.gz RVSSITMVSBKPNT-XJKSGUPXSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423134429 238222023 /nfs/dbraw/zinc/22/20/23/238222023.db2.gz RVSSITMVSBKPNT-CJNGLKHVSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000449083186 291241309 /nfs/dbraw/zinc/24/13/09/291241309.db2.gz SFHUUSHYVGSLTD-QKPAOTATSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423136746 238223815 /nfs/dbraw/zinc/22/38/15/238223815.db2.gz HLCUFZUYPMXJLK-LSDHHAIUSA-N 2 0 293.430 2.759 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423134712 238224571 /nfs/dbraw/zinc/22/45/71/238224571.db2.gz DZKFVWHRZBMQLP-UHFFFAOYSA-N 2 0 275.440 2.775 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423138772 238225719 /nfs/dbraw/zinc/22/57/19/238225719.db2.gz UAYPPFAKVXKNLY-DTWKUNHWSA-N 2 0 276.302 2.643 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577412373 540852451 /nfs/dbraw/zinc/85/24/51/540852451.db2.gz OYVKWYOMIBUHEK-UONOGXRCSA-N 2 0 264.438 2.811 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000423173413 238253336 /nfs/dbraw/zinc/25/33/36/238253336.db2.gz YMSBDHOROIWTJO-IYYTYJHQSA-N 2 0 268.763 2.533 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000423180969 238258700 /nfs/dbraw/zinc/25/87/00/238258700.db2.gz LAONSDGUUWRRGI-MELADBBJSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCC[NH3+])sc1Br ZINC000423182143 238258788 /nfs/dbraw/zinc/25/87/88/238258788.db2.gz GLUPZUUCZMYWKX-QMMMGPOBSA-N 2 0 277.231 2.818 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc12 ZINC000423170489 238250609 /nfs/dbraw/zinc/25/06/09/238250609.db2.gz MEWKFDOXSBAMCO-RCCFBDPRSA-N 3 0 298.434 2.735 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCCCCC1 ZINC000423200027 238273625 /nfs/dbraw/zinc/27/36/25/238273625.db2.gz LLENPMAUTJHUFD-XHSDSOJGSA-N 2 0 292.467 2.975 20 0 CFADRP c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000423208261 238279088 /nfs/dbraw/zinc/27/90/88/238279088.db2.gz HQPXRIDINAWUBZ-USXIJHARSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423226204 238289264 /nfs/dbraw/zinc/28/92/64/238289264.db2.gz PTAQKJSXEIRCJO-ZIBATOQPSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423226203 238289546 /nfs/dbraw/zinc/28/95/46/238289546.db2.gz PTAQKJSXEIRCJO-ZETOZRRWSA-N 2 0 250.361 2.776 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423227049 238291097 /nfs/dbraw/zinc/29/10/97/238291097.db2.gz UEFNQDVMWFQQHM-YXAMBPQSSA-N 2 0 262.397 2.514 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])ccc1OC(F)F ZINC000423230556 238294314 /nfs/dbraw/zinc/29/43/14/238294314.db2.gz JKSWKOUXXWUENK-UWVGGRQHSA-N 2 0 288.338 2.685 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166360276 540889814 /nfs/dbraw/zinc/88/98/14/540889814.db2.gz ZQKDRFWHMKRVKU-DLBZAZTESA-N 2 0 288.435 2.899 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166391821 540895086 /nfs/dbraw/zinc/89/50/86/540895086.db2.gz BYDQBQGGJSSXGF-JKSUJKDBSA-N 2 0 292.398 2.811 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423220589 238284729 /nfs/dbraw/zinc/28/47/29/238284729.db2.gz YIXXFPTXZOIKKW-DTTOXWODSA-N 2 0 288.435 2.776 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000423246483 238306059 /nfs/dbraw/zinc/30/60/59/238306059.db2.gz KENCFLGAKQCYBH-NEPJUHHUSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423254170 238310548 /nfs/dbraw/zinc/31/05/48/238310548.db2.gz XJTDVOPWFRTFCY-RYUDHWBXSA-N 2 0 252.789 2.990 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000155942640 540910801 /nfs/dbraw/zinc/91/08/01/540910801.db2.gz FERYPMNZFZSULV-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ncc[nH]1 ZINC000353436521 540910880 /nfs/dbraw/zinc/91/08/80/540910880.db2.gz CHEXZHAZVSADNG-ZNMIVQPWSA-N 2 0 278.444 2.818 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ncc[nH]1 ZINC000353459783 540911302 /nfs/dbraw/zinc/91/13/02/540911302.db2.gz IWNCZUYLWUTSPJ-AWEZNQCLSA-N 2 0 264.417 2.572 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423261414 238318365 /nfs/dbraw/zinc/31/83/65/238318365.db2.gz SGGNELSQYVYTEG-KGLIPLIRSA-N 2 0 293.430 2.932 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666079378 540917399 /nfs/dbraw/zinc/91/73/99/540917399.db2.gz FAHFHPKMYSDYEV-CYBMUJFWSA-N 2 0 266.816 2.739 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000156527915 540932951 /nfs/dbraw/zinc/93/29/51/540932951.db2.gz ANHVLOOATCGIQE-DZGCQCFKSA-N 2 0 280.412 2.595 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423309404 238363852 /nfs/dbraw/zinc/36/38/52/238363852.db2.gz ZMYBVEBCYMTXPJ-GOSISDBHSA-N 2 0 266.388 2.779 20 0 CFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H](C)C[NH3+])CC2 ZINC000423310172 238365511 /nfs/dbraw/zinc/36/55/11/238365511.db2.gz RHDSQLWXBDDRPB-NOZJJQNGSA-N 2 0 297.240 2.929 20 0 CFADRP [NH3+][C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423314656 238367736 /nfs/dbraw/zinc/36/77/36/238367736.db2.gz HLXJWDGCDFKLKE-RDGPPVDQSA-N 2 0 299.462 2.509 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423285044 238346137 /nfs/dbraw/zinc/34/61/37/238346137.db2.gz ZFBUWQSNTUKPIQ-MLGOLLRUSA-N 2 0 292.398 2.801 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423293584 238350114 /nfs/dbraw/zinc/35/01/14/238350114.db2.gz AFOSFAOABJHVBL-WDEREUQCSA-N 2 0 272.339 2.842 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423294868 238353259 /nfs/dbraw/zinc/35/32/59/238353259.db2.gz CZJQJCPLGFXGMD-RKDXNWHRSA-N 2 0 276.302 2.673 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423299931 238357130 /nfs/dbraw/zinc/35/71/30/238357130.db2.gz QOBRFIVHIBLQQZ-HTQZYQBOSA-N 2 0 277.231 2.756 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423299933 238357539 /nfs/dbraw/zinc/35/75/39/238357539.db2.gz QOBRFIVHIBLQQZ-SFYZADRCSA-N 2 0 277.231 2.756 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423329185 238380035 /nfs/dbraw/zinc/38/00/35/238380035.db2.gz FCMAXDPGMZUHCH-WDEREUQCSA-N 2 0 288.313 2.845 20 0 CFADRP CCC[NH+]1CCC(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000158641515 540975469 /nfs/dbraw/zinc/97/54/69/540975469.db2.gz QYXJHOJBPFBQCE-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCC[NH3+])C1 ZINC000423334327 238385794 /nfs/dbraw/zinc/38/57/94/238385794.db2.gz SRFZWBCBIPKEIX-CABCVRRESA-N 2 0 261.413 2.745 20 0 CFADRP c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423334879 238385905 /nfs/dbraw/zinc/38/59/05/238385905.db2.gz GCPVZRMCTNYHBJ-DLBZAZTESA-N 2 0 256.393 2.832 20 0 CFADRP c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423334882 238386713 /nfs/dbraw/zinc/38/67/13/238386713.db2.gz GCPVZRMCTNYHBJ-IRXDYDNUSA-N 2 0 256.393 2.832 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125541 540979185 /nfs/dbraw/zinc/97/91/85/540979185.db2.gz NNGTWGDPSKACHG-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423346843 238397060 /nfs/dbraw/zinc/39/70/60/238397060.db2.gz QJJBGFVZLIMLPB-NVXWUHKLSA-N 2 0 275.440 2.772 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423341749 238390335 /nfs/dbraw/zinc/39/03/35/238390335.db2.gz KGCXXTJCOZWIBS-HNNXBMFYSA-N 2 0 296.418 2.502 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423344301 238392371 /nfs/dbraw/zinc/39/23/71/238392371.db2.gz XOUMMYGRSJRVLK-SWLSCSKDSA-N 2 0 250.361 2.866 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344969 238393086 /nfs/dbraw/zinc/39/30/86/238393086.db2.gz NKDGRUNGMHIQQZ-ZDUSSCGKSA-N 2 0 260.381 2.656 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423345909 238394257 /nfs/dbraw/zinc/39/42/57/238394257.db2.gz ONDGUWMRKCLBHU-CYBMUJFWSA-N 2 0 262.372 2.656 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423472078 238476493 /nfs/dbraw/zinc/47/64/93/238476493.db2.gz XFRNZGDKLVZXOW-GZBFAFLISA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(-c2ccccc2)nn1C ZINC000423493509 238493524 /nfs/dbraw/zinc/49/35/24/238493524.db2.gz BQMMRHRTGFKYFY-SQWLQELKSA-N 2 0 298.434 2.865 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000423480528 238483769 /nfs/dbraw/zinc/48/37/69/238483769.db2.gz NKCAMKFQPZNGQZ-DZGCQCFKSA-N 2 0 292.423 2.887 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423490902 238490934 /nfs/dbraw/zinc/49/09/34/238490934.db2.gz ITUBKIQLKBGTHG-RLCCDNCMSA-N 2 0 262.372 2.994 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1Cl ZINC000423541112 238522849 /nfs/dbraw/zinc/52/28/49/238522849.db2.gz RHZAIEFMNLCJRR-LLVKDONJSA-N 2 0 295.814 2.704 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746759 541064748 /nfs/dbraw/zinc/06/47/48/541064748.db2.gz GGZQUBYEGHQWBI-RYUDHWBXSA-N 2 0 289.379 2.526 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2(N(C)C)CC2)c1 ZINC000666219693 541073084 /nfs/dbraw/zinc/07/30/84/541073084.db2.gz XBXPFYRKFJMLHP-UHFFFAOYSA-N 2 0 289.423 2.561 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(CO)c1 ZINC000183953850 189372579 /nfs/dbraw/zinc/37/25/79/189372579.db2.gz LPQNQMFRFKCCGY-HNNXBMFYSA-N 2 0 290.451 2.952 20 0 CFADRP Cc1cc(NCC2C[NH+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000716189175 781946391 /nfs/dbraw/zinc/94/63/91/781946391.db2.gz ODVVIEIYUFJMBB-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000184275809 189381409 /nfs/dbraw/zinc/38/14/09/189381409.db2.gz SCSGHCZNCMCYBL-KGLIPLIRSA-N 2 0 259.397 2.525 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1C ZINC000184462659 189386729 /nfs/dbraw/zinc/38/67/29/189386729.db2.gz KKCNOWVQHCKONB-CZUORRHYSA-N 2 0 279.403 2.700 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000671765122 541127137 /nfs/dbraw/zinc/12/71/37/541127137.db2.gz MUXWSPNSZUQIKJ-OAHLLOKOSA-N 2 0 275.440 2.643 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC000666701963 541133726 /nfs/dbraw/zinc/13/37/26/541133726.db2.gz QMMXZZPXRDGMHE-JKIFEVAISA-N 2 0 292.398 2.667 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857977 541151365 /nfs/dbraw/zinc/15/13/65/541151365.db2.gz RRVZNEXYJUCNAA-TZMCWYRMSA-N 2 0 252.427 2.801 20 0 CFADRP COc1ccc(CN[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000666855223 541151994 /nfs/dbraw/zinc/15/19/94/541151994.db2.gz GHVTVKHSPUSYNY-LBPRGKRZSA-N 2 0 268.788 2.580 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950873 541165220 /nfs/dbraw/zinc/16/52/20/541165220.db2.gz OJXSLMNQSMYMOS-CYBMUJFWSA-N 2 0 268.763 2.711 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950819 541165403 /nfs/dbraw/zinc/16/54/03/541165403.db2.gz JUILGBPCORZIPN-ZDUSSCGKSA-N 2 0 284.325 2.937 20 0 CFADRP c1cncc(-c2cccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c2)c1 ZINC000666952192 541165874 /nfs/dbraw/zinc/16/58/74/541165874.db2.gz JUJGIMSYPZWVLX-GOSISDBHSA-N 2 0 293.414 2.980 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666952511 541165897 /nfs/dbraw/zinc/16/58/97/541165897.db2.gz ZBDQMJRHHZDSQG-CYBMUJFWSA-N 2 0 250.411 2.542 20 0 CFADRP Clc1cc2c(c(C[NH2+][C@H]3CC34CC[NH2+]CC4)c1)OCC2 ZINC000666952341 541166029 /nfs/dbraw/zinc/16/60/29/541166029.db2.gz RYEUZUOUARADNG-AWEZNQCLSA-N 2 0 292.810 2.507 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000666953576 541166600 /nfs/dbraw/zinc/16/66/00/541166600.db2.gz BLAMSZLHCZAKLQ-QMCVQRASSA-N 2 0 270.420 2.910 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666953871 541166626 /nfs/dbraw/zinc/16/66/26/541166626.db2.gz JUXRYBACGHBMLE-SNVBAGLBSA-N 2 0 290.354 2.999 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666953517 541166684 /nfs/dbraw/zinc/16/66/84/541166684.db2.gz AJDAQHBCJAWGOZ-CYBMUJFWSA-N 2 0 268.763 2.711 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000666956299 541167269 /nfs/dbraw/zinc/16/72/69/541167269.db2.gz JOBCRIGJCRWDCX-JYJNAYRXSA-N 2 0 288.435 2.907 20 0 CFADRP COc1cccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1F ZINC000666968950 541168958 /nfs/dbraw/zinc/16/89/58/541168958.db2.gz MBCNZTZHZCGVGB-ZFWWWQNUSA-N 2 0 292.398 2.798 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995775 541171143 /nfs/dbraw/zinc/17/11/43/541171143.db2.gz ZUTBQCRXFOPKRF-ZBFHGGJFSA-N 2 0 288.435 2.891 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996702 541172375 /nfs/dbraw/zinc/17/23/75/541172375.db2.gz AJOANWXFLSCEAN-LSDHHAIUSA-N 2 0 286.419 2.817 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C[C@H]1C[NH3+] ZINC000667039974 541177628 /nfs/dbraw/zinc/17/76/28/541177628.db2.gz CELYKVFWKXAZGA-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP COCC(C)(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000426057176 239160786 /nfs/dbraw/zinc/16/07/86/239160786.db2.gz GYLVTIJBZHDPMF-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CC1 ZINC000667462624 541236547 /nfs/dbraw/zinc/23/65/47/541236547.db2.gz OQYATKKJUOCKSL-UHFFFAOYSA-N 2 0 270.380 2.889 20 0 CFADRP CCOc1ccc(CN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000667516903 541247623 /nfs/dbraw/zinc/24/76/23/541247623.db2.gz MGTYHMXXFHNXNE-UHFFFAOYSA-N 2 0 276.424 2.920 20 0 CFADRP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)C ZINC000667534542 541251038 /nfs/dbraw/zinc/25/10/38/541251038.db2.gz DFXVSXYDYAKNEE-UHFFFAOYSA-N 2 0 258.369 2.745 20 0 CFADRP Cc1ncc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)n1C ZINC000667592996 541264837 /nfs/dbraw/zinc/26/48/37/541264837.db2.gz MVQBVZLDFZSTRQ-OAHLLOKOSA-N 2 0 299.374 2.794 20 0 CFADRP c1coc([C@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000667618966 541270250 /nfs/dbraw/zinc/27/02/50/541270250.db2.gz ORISEPPXKJLCOW-AWEZNQCLSA-N 2 0 294.358 2.850 20 0 CFADRP Cc1ncc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)n1C ZINC000667662276 541282293 /nfs/dbraw/zinc/28/22/93/541282293.db2.gz DBXXXUVAKKXOHQ-KDOFPFPSSA-N 2 0 299.418 2.999 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428030316 239362443 /nfs/dbraw/zinc/36/24/43/239362443.db2.gz HTDWWXWFTXVIGU-SJORKVTESA-N 2 0 258.409 2.611 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1CCCCC1 ZINC000667767656 541308336 /nfs/dbraw/zinc/30/83/36/541308336.db2.gz PVBINUYXVQITIG-DOTOQJQBSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000076371921 541310497 /nfs/dbraw/zinc/31/04/97/541310497.db2.gz RFDNSSSVUKOXSP-KRWDZBQOSA-N 2 0 289.467 2.834 20 0 CFADRP C(CC[NH2+][C@@H]1CO[C@H](C2CC2)C1)CC[NH+]1CCCCC1 ZINC000667838646 541326152 /nfs/dbraw/zinc/32/61/52/541326152.db2.gz ZHZAKVURGVNRGJ-IRXDYDNUSA-N 2 0 280.456 2.800 20 0 CFADRP C1CC1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000667896591 541336908 /nfs/dbraw/zinc/33/69/08/541336908.db2.gz WMMIWCLGMHBNFR-WBVHZDCISA-N 2 0 278.440 2.551 20 0 CFADRP Cc1ncc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)n1C ZINC000667959060 541352620 /nfs/dbraw/zinc/35/26/20/541352620.db2.gz COCICGVITISUCJ-KOLCDFICSA-N 2 0 275.318 2.891 20 0 CFADRP Clc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431019602 239838109 /nfs/dbraw/zinc/83/81/09/239838109.db2.gz QXAIWZOMGARZSG-UHFFFAOYSA-N 2 0 294.826 2.794 20 0 CFADRP Cc1ncc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)n1C ZINC000668074249 541378764 /nfs/dbraw/zinc/37/87/64/541378764.db2.gz RAYFEXDUPWVUMT-INIZCTEOSA-N 2 0 287.407 2.578 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668159513 541389678 /nfs/dbraw/zinc/38/96/78/541389678.db2.gz YNKPRLRCGNSYKC-HJOIGYKYSA-N 2 0 288.435 2.916 20 0 CFADRP CN1CC[NH+](CC2(C)CC[NH+](CC3(C)CCC3)CC2)CC1 ZINC000432838250 240055835 /nfs/dbraw/zinc/05/58/35/240055835.db2.gz CACQEEIWNGQBSX-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000435373578 240305337 /nfs/dbraw/zinc/30/53/37/240305337.db2.gz VFJZRFJPPHDDNT-NWDGAFQWSA-N 2 0 274.364 2.611 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000435373579 240306340 /nfs/dbraw/zinc/30/63/40/240306340.db2.gz VFJZRFJPPHDDNT-RYUDHWBXSA-N 2 0 274.364 2.611 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435388634 240308861 /nfs/dbraw/zinc/30/88/61/240308861.db2.gz IABHFGVPBGPYTI-UKRRQHHQSA-N 2 0 294.414 2.554 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C2CC[NH2+]CC2)cc1F ZINC000435386370 240309644 /nfs/dbraw/zinc/30/96/44/240309644.db2.gz WNIBZSVMSCQWAQ-CYBMUJFWSA-N 2 0 294.414 2.697 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1C ZINC000435122827 240290499 /nfs/dbraw/zinc/29/04/99/240290499.db2.gz CJPMNBZVQZVDQR-QWHCGFSZSA-N 2 0 288.395 2.584 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000437783340 240592457 /nfs/dbraw/zinc/59/24/57/240592457.db2.gz ZXQSASVLYROFRH-UHFFFAOYSA-N 2 0 291.414 2.785 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000275857053 193148299 /nfs/dbraw/zinc/14/82/99/193148299.db2.gz MCCNZMVTPDSOJE-CYBMUJFWSA-N 2 0 262.372 2.608 20 0 CFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442866343 241011473 /nfs/dbraw/zinc/01/14/73/241011473.db2.gz ICPLZPXKTJKCKX-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876706 241013095 /nfs/dbraw/zinc/01/30/95/241013095.db2.gz QDZMPSDOFIRVOC-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876704 241013490 /nfs/dbraw/zinc/01/34/90/241013490.db2.gz QDZMPSDOFIRVOC-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443056539 241032552 /nfs/dbraw/zinc/03/25/52/241032552.db2.gz CWUIICXMQRYMFY-AWEZNQCLSA-N 2 0 294.464 2.848 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000443628604 241079933 /nfs/dbraw/zinc/07/99/33/241079933.db2.gz RPSSUFPLPOWUSI-UHFFFAOYSA-N 2 0 266.351 2.993 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCN(C)c2ccccc2)C[C@H]1C ZINC000444297674 241133825 /nfs/dbraw/zinc/13/38/25/241133825.db2.gz ZBPURHCRYLBQHF-AEFFLSMTSA-N 2 0 289.467 2.927 20 0 CFADRP Fc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000673709347 541506714 /nfs/dbraw/zinc/50/67/14/541506714.db2.gz OVNZRJWXKYTOSV-UHFFFAOYSA-N 2 0 285.366 2.933 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000446740377 241319953 /nfs/dbraw/zinc/31/99/53/241319953.db2.gz CUZYKFXRIATWKN-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[C@H](C)[NH+]1CC(O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000447316252 241368028 /nfs/dbraw/zinc/36/80/28/241368028.db2.gz XBPWQYWNXFYDML-GEEKYZPCSA-N 2 0 282.472 2.873 20 0 CFADRP CC[C@@H]1C[C@@H](C)C[NH+]1C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1CC ZINC000447316683 241368078 /nfs/dbraw/zinc/36/80/78/241368078.db2.gz ZXZZMYMELWAFEA-JJTUDDRGSA-N 2 0 282.472 2.588 20 0 CFADRP c1[nH]nc2c1cccc2C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884096 241334898 /nfs/dbraw/zinc/33/48/98/241334898.db2.gz MNDNBPFRUPBKOO-UHFFFAOYSA-N 2 0 284.407 2.527 20 0 CFADRP Cc1cccn2c(C[NH2+]CC3CC[NH+](C4CC4)CC3)cnc12 ZINC000446887550 241337149 /nfs/dbraw/zinc/33/71/49/241337149.db2.gz VOPMJINEKHVCLJ-UHFFFAOYSA-N 2 0 298.434 2.607 20 0 CFADRP Cc1cccc2ncc(C[NH2+]CC3CC[NH+](C4CC4)CC3)n21 ZINC000446915588 241337909 /nfs/dbraw/zinc/33/79/09/241337909.db2.gz WMCWXTFVLKHNLJ-UHFFFAOYSA-N 2 0 298.434 2.607 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCOCC[NH+](C)C ZINC000447592736 241389686 /nfs/dbraw/zinc/38/96/86/241389686.db2.gz NKEAUIZFLQBTRX-KRWDZBQOSA-N 2 0 296.430 2.561 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)C2CCC2)o1 ZINC000447601719 241392985 /nfs/dbraw/zinc/39/29/85/241392985.db2.gz QVFFFHHQCRINCQ-INIZCTEOSA-N 2 0 280.412 2.597 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)o1 ZINC000447604943 241394621 /nfs/dbraw/zinc/39/46/21/241394621.db2.gz FDSNMEKTBFOXSJ-UKRRQHHQSA-N 2 0 293.455 2.573 20 0 CFADRP Cc1ccc2ncc(C[NH2+]Cc3cnc(C)cc3C)n2c1 ZINC000449733603 242124191 /nfs/dbraw/zinc/12/41/91/242124191.db2.gz IWYGDPMEQFAIPM-UHFFFAOYSA-N 2 0 280.375 2.944 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(C)(C)C)[C@@H](C)C1 ZINC000674909703 541605333 /nfs/dbraw/zinc/60/53/33/541605333.db2.gz RNMSEFSENSFWLD-GJZGRUSLSA-N 2 0 270.461 2.854 20 0 CFADRP CC(C)(C)OCCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000674909795 541605604 /nfs/dbraw/zinc/60/56/04/541605604.db2.gz UWZQYNIJMKNGSH-ZDUSSCGKSA-N 2 0 265.401 2.794 20 0 CFADRP CC[C@@H](C[NH+]1CCCC1)Nc1cc[nH+]c2ccccc12 ZINC000675150814 541620380 /nfs/dbraw/zinc/62/03/80/541620380.db2.gz AWLDPGLNFHCUIO-AWEZNQCLSA-N 2 0 269.392 2.943 20 0 CFADRP COc1ccnc(N2CC[NH+](CC3=CCCCC3)CC2)c1 ZINC000450359055 242377642 /nfs/dbraw/zinc/37/76/42/242377642.db2.gz UWLNLMRAMSQPKI-UHFFFAOYSA-N 2 0 287.407 2.713 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCCOC1 ZINC000355068175 296117646 /nfs/dbraw/zinc/11/76/46/296117646.db2.gz QDNLOYRZKNKDDL-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000675478465 541661397 /nfs/dbraw/zinc/66/13/97/541661397.db2.gz XSCSAJNNZYPGIX-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2ccc(O)cc2CC1 ZINC000675494146 541662182 /nfs/dbraw/zinc/66/21/82/541662182.db2.gz NNUXZMFPFXULGS-KRWDZBQOSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnccn1 ZINC000247195859 296121920 /nfs/dbraw/zinc/12/19/20/296121920.db2.gz VZOPGUKTFURZMZ-LSDHHAIUSA-N 2 0 276.428 2.639 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000675743453 541687630 /nfs/dbraw/zinc/68/76/30/541687630.db2.gz KKZTZLZCKXCKAI-OAHLLOKOSA-N 2 0 281.488 2.713 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000675735563 541685815 /nfs/dbraw/zinc/68/58/15/541685815.db2.gz QRTVXFYSSLICLW-DOMZBBRYSA-N 2 0 292.398 2.753 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1F ZINC000675811749 541697317 /nfs/dbraw/zinc/69/73/17/541697317.db2.gz HRPZTCNVSKUJPI-CYBMUJFWSA-N 2 0 294.414 2.697 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCN1CCC(OC)CC1 ZINC000675776593 541692264 /nfs/dbraw/zinc/69/22/64/541692264.db2.gz BWZOZTKGYOHQKK-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453057692 243381263 /nfs/dbraw/zinc/38/12/63/243381263.db2.gz IUFLCDRTRDCNBV-YJBOKZPZSA-N 2 0 293.499 2.571 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000675897748 541705843 /nfs/dbraw/zinc/70/58/43/541705843.db2.gz YLLOBWVWUFWMJB-SJLPKXTDSA-N 2 0 287.451 2.669 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOC(C)(C)C)CC[C@H]21 ZINC000675897623 541705045 /nfs/dbraw/zinc/70/50/45/541705045.db2.gz KOOOKNALCJSPOG-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453596603 243612892 /nfs/dbraw/zinc/61/28/92/243612892.db2.gz LYEITEAJEAZBNX-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1COc2ccccc21 ZINC000415086231 296129422 /nfs/dbraw/zinc/12/94/22/296129422.db2.gz RUCYEFMXXOYYRZ-KQTLUZQSSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1ccc2[nH]c(C[NH2+][C@H](C)C3CC[NH+](C)CC3)nc2c1 ZINC000675924483 541709062 /nfs/dbraw/zinc/70/90/62/541709062.db2.gz JRRAMFQMMVTGOZ-CYBMUJFWSA-N 2 0 286.423 2.691 20 0 CFADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423419915 291446762 /nfs/dbraw/zinc/44/67/62/291446762.db2.gz JBAUTYHWSDMDRD-QCODTGAPSA-N 2 0 250.430 2.920 20 0 CFADRP COC1CCC(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675931838 541710766 /nfs/dbraw/zinc/71/07/66/541710766.db2.gz NVHNTIAAASRLPB-HLIUYOAVSA-N 2 0 268.445 2.512 20 0 CFADRP COC1CCC(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675931839 541710790 /nfs/dbraw/zinc/71/07/90/541710790.db2.gz NVHNTIAAASRLPB-VQCLRJIVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000456286411 244126265 /nfs/dbraw/zinc/12/62/65/244126265.db2.gz VKIKOISKSCLKNB-CVEARBPZSA-N 2 0 289.423 2.514 20 0 CFADRP O[C@H](C[NH2+][C@H](c1ccccc1)C1CCC1)C[NH+]1CCCC1 ZINC000676702058 541778600 /nfs/dbraw/zinc/77/86/00/541778600.db2.gz PEBMZJNMVYMFJW-QZTJIDSGSA-N 2 0 288.435 2.574 20 0 CFADRP O[C@@H](C[NH2+][C@H](c1ccccc1)C1CCC1)C[NH+]1CCCC1 ZINC000676702061 541778782 /nfs/dbraw/zinc/77/87/82/541778782.db2.gz PEBMZJNMVYMFJW-ZWKOTPCHSA-N 2 0 288.435 2.574 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000155021234 296146986 /nfs/dbraw/zinc/14/69/86/296146986.db2.gz DFESAYGSCCBASU-UONOGXRCSA-N 2 0 295.858 2.627 20 0 CFADRP COc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000276608050 193399341 /nfs/dbraw/zinc/39/93/41/193399341.db2.gz DNTNPIGMJJKAFA-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H](CCN1CCOCC1)[NH2+]CCc1cccc(Cl)c1 ZINC000459481502 245194377 /nfs/dbraw/zinc/19/43/77/245194377.db2.gz QLQMBYSOXHVLTP-AWEZNQCLSA-N 2 0 296.842 2.583 20 0 CFADRP COc1cccc(C[C@@H]([NH2+][C@@H]2CCCN(C)C2)C2CC2)c1 ZINC000677129142 541824505 /nfs/dbraw/zinc/82/45/05/541824505.db2.gz HAHJVGVFGZRCLT-SJLPKXTDSA-N 2 0 288.435 2.700 20 0 CFADRP C[N@@H+](Cc1ccc(C2CC2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000459522116 245208362 /nfs/dbraw/zinc/20/83/62/245208362.db2.gz VEAQTUWKDSUGRJ-HNNXBMFYSA-N 2 0 258.409 2.948 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657395 245259554 /nfs/dbraw/zinc/25/95/54/245259554.db2.gz IFUNDSDTVCHNLO-GOEBONIOSA-N 2 0 273.380 2.629 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000459658499 245261699 /nfs/dbraw/zinc/26/16/99/245261699.db2.gz KPGZEXATIHWBQD-DAXOMENPSA-N 2 0 285.391 2.628 20 0 CFADRP CCc1ncc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459723735 245284838 /nfs/dbraw/zinc/28/48/38/245284838.db2.gz CRYOGARHAWUHGC-GFCCVEGCSA-N 2 0 267.442 2.527 20 0 CFADRP CC(C)n1ccnc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000677474954 541864795 /nfs/dbraw/zinc/86/47/95/541864795.db2.gz FLBMUBXBIAVLJC-MRXNPFEDSA-N 2 0 290.455 2.628 20 0 CFADRP CC(C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000034823191 372513878 /nfs/dbraw/zinc/51/38/78/372513878.db2.gz JWKLMCXJYJJDLQ-UHFFFAOYSA-N 2 0 281.831 2.590 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000036907576 372609869 /nfs/dbraw/zinc/60/98/69/372609869.db2.gz SZRHRTPCNJLWLV-WWGRRREGSA-N 2 0 264.388 2.687 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000036907661 372610102 /nfs/dbraw/zinc/61/01/02/372610102.db2.gz XTZAVAASVPORRW-CKEIUWERSA-N 2 0 276.424 2.556 20 0 CFADRP CCOCc1ccccc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000037762182 372699545 /nfs/dbraw/zinc/69/95/45/372699545.db2.gz CYAASFPSHZIWQS-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP CC(C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000037634879 372678031 /nfs/dbraw/zinc/67/80/31/372678031.db2.gz OHFHAPIXDKAZCL-UHFFFAOYSA-N 2 0 289.467 2.582 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1 ZINC000037643763 372678827 /nfs/dbraw/zinc/67/88/27/372678827.db2.gz HUCMMSQKPMEKGT-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037643742 372679465 /nfs/dbraw/zinc/67/94/65/372679465.db2.gz VGHALWGAKSYKBP-ZDUSSCGKSA-N 2 0 297.240 2.881 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000037644144 372681056 /nfs/dbraw/zinc/68/10/56/372681056.db2.gz BEDKIEAJRUWOFF-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649338 372685301 /nfs/dbraw/zinc/68/53/01/372685301.db2.gz LESGKKXNZNIRBN-CHWSQXEVSA-N 2 0 262.372 2.961 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649167 372685500 /nfs/dbraw/zinc/68/55/00/372685500.db2.gz KRXPSWXPVIRZRW-GOEBONIOSA-N 2 0 288.435 2.787 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(C(=O)OCC)CC2)CC1 ZINC000037788199 372709378 /nfs/dbraw/zinc/70/93/78/372709378.db2.gz VDYJWCSHHCOGKZ-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)s1 ZINC000038003352 372757956 /nfs/dbraw/zinc/75/79/56/372757956.db2.gz NYVWYRPSVHOUAU-SSDOTTSWSA-N 2 0 263.204 2.510 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000041665299 372857602 /nfs/dbraw/zinc/85/76/02/372857602.db2.gz AAWUNLQXSXVRJC-SFHVURJKSA-N 2 0 296.414 2.796 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000042337815 372908348 /nfs/dbraw/zinc/90/83/48/372908348.db2.gz MATNMDSTGXMARI-INIZCTEOSA-N 2 0 296.842 2.837 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000045663692 373026695 /nfs/dbraw/zinc/02/66/95/373026695.db2.gz KAYQORDDFPJLFK-CQSZACIVSA-N 2 0 294.439 2.566 20 0 CFADRP COc1cc(C[NH2+]CCCC[NH+](C)C)ccc1OC(C)C ZINC000045598415 373022916 /nfs/dbraw/zinc/02/29/16/373022916.db2.gz OQTCRMMUZPKBOU-UHFFFAOYSA-N 2 0 294.439 2.914 20 0 CFADRP CCC[N@H+](CCOCCC(C)C)C1CC[NH2+]CC1 ZINC000049267764 373281803 /nfs/dbraw/zinc/28/18/03/373281803.db2.gz XXUCXZLPANPKHU-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000051756209 373408312 /nfs/dbraw/zinc/40/83/12/373408312.db2.gz PBVQWRDLSXZLKE-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000051756175 373408541 /nfs/dbraw/zinc/40/85/41/373408541.db2.gz JUPCJAPVMUCBGE-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051919491 373417403 /nfs/dbraw/zinc/41/74/03/373417403.db2.gz VXNVNELZIHMZTH-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP Cc1cccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000051918868 373418826 /nfs/dbraw/zinc/41/88/26/373418826.db2.gz UNPIYIAQILZRRH-KRWDZBQOSA-N 2 0 287.451 2.507 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1ccccc1 ZINC000052092064 373434566 /nfs/dbraw/zinc/43/45/66/373434566.db2.gz WYMGIMKZXGOOTR-BFYDXBDKSA-N 2 0 276.424 2.774 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000053658861 373483661 /nfs/dbraw/zinc/48/36/61/373483661.db2.gz XPPRSDRSBIRXSP-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000053658957 373484575 /nfs/dbraw/zinc/48/45/75/373484575.db2.gz AGELZQJMVAYIKA-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000060717458 373703177 /nfs/dbraw/zinc/70/31/77/373703177.db2.gz WMISZRPZDWUWQS-UHFFFAOYSA-N 2 0 282.378 2.971 20 0 CFADRP CC(C)[N@H+](Cc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911792 373772969 /nfs/dbraw/zinc/77/29/69/373772969.db2.gz RBTKEYITWDCPFX-AWEZNQCLSA-N 2 0 252.427 2.958 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000062050385 373743759 /nfs/dbraw/zinc/74/37/59/373743759.db2.gz ASMXRXPPTQBPKO-ZFWWWQNUSA-N 2 0 264.388 2.688 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000062078397 373746589 /nfs/dbraw/zinc/74/65/89/373746589.db2.gz APNOHEMHVBIBGO-HZPDHXFCSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCO2)C[NH+]1CCCC1 ZINC000062077456 373747554 /nfs/dbraw/zinc/74/75/54/373747554.db2.gz ZSEPPWDGMKAHCW-ZIAGYGMSSA-N 2 0 290.407 2.798 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000063158808 373788744 /nfs/dbraw/zinc/78/87/44/373788744.db2.gz WJEZGOXHKWICPM-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000070074214 374121581 /nfs/dbraw/zinc/12/15/81/374121581.db2.gz GAAAOLJVEBBVJZ-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000070074063 374121621 /nfs/dbraw/zinc/12/16/21/374121621.db2.gz ZALXIJAQOWVQRL-MRXNPFEDSA-N 2 0 269.392 2.938 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000070170576 374134731 /nfs/dbraw/zinc/13/47/31/374134731.db2.gz XQYFFMSUHNBZOI-AWEZNQCLSA-N 2 0 285.391 2.902 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000070148433 374127525 /nfs/dbraw/zinc/12/75/25/374127525.db2.gz OTUXMACEDDQQSQ-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169470 374135716 /nfs/dbraw/zinc/13/57/16/374135716.db2.gz VENNOAMZLHAMRE-QWHCGFSZSA-N 2 0 250.361 2.948 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171832 374137815 /nfs/dbraw/zinc/13/78/15/374137815.db2.gz WICXACXRDSZZQF-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000070171615 374137965 /nfs/dbraw/zinc/13/79/65/374137965.db2.gz WIOQTYVXAYQLQZ-WCQYABFASA-N 2 0 284.350 2.847 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000070171616 374138184 /nfs/dbraw/zinc/13/81/84/374138184.db2.gz WIOQTYVXAYQLQZ-DGCLKSJQSA-N 2 0 284.350 2.847 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490761500 246022400 /nfs/dbraw/zinc/02/24/00/246022400.db2.gz SILOMVIXLPJDRW-AWEZNQCLSA-N 2 0 260.425 2.995 20 0 CFADRP Brc1csc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000070600601 374199230 /nfs/dbraw/zinc/19/92/30/374199230.db2.gz LNGASJGHOFUZCC-SECBINFHSA-N 2 0 289.242 2.600 20 0 CFADRP Brc1csc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000070600560 374199564 /nfs/dbraw/zinc/19/95/64/374199564.db2.gz KHVDBFDAUSFGJZ-SNVBAGLBSA-N 2 0 289.242 2.742 20 0 CFADRP C[C@H](CN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C[NH+](C)C ZINC000491594786 246085367 /nfs/dbraw/zinc/08/53/67/246085367.db2.gz TYRSYRMVSGFLNU-NUJGCVRESA-N 2 0 289.467 2.609 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000334146088 206074523 /nfs/dbraw/zinc/07/45/23/206074523.db2.gz BKNVKEXRZFAXJC-HNNXBMFYSA-N 2 0 293.480 2.924 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)CN1C1CC1 ZINC000678016289 541936282 /nfs/dbraw/zinc/93/62/82/541936282.db2.gz UBRLJMFTKRXSJN-YCPHGPKFSA-N 2 0 280.456 2.797 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cscn2)CC1 ZINC000678114991 541954741 /nfs/dbraw/zinc/95/47/41/541954741.db2.gz SVAWVESTRWNVOA-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678207995 541972268 /nfs/dbraw/zinc/97/22/68/541972268.db2.gz BUEFCPPMBRVRDX-UHFFFAOYSA-N 2 0 286.423 2.727 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000080510033 374658499 /nfs/dbraw/zinc/65/84/99/374658499.db2.gz HJFXMUDAYFTXOC-ZDUSSCGKSA-N 2 0 288.435 2.959 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000085220451 374798449 /nfs/dbraw/zinc/79/84/49/374798449.db2.gz MDHTWYVKWWAUDA-UHFFFAOYSA-N 2 0 291.620 2.931 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000089146005 374874590 /nfs/dbraw/zinc/87/45/90/374874590.db2.gz VLIGLZQXHFILOB-IINYFYTJSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000089150562 374875559 /nfs/dbraw/zinc/87/55/59/374875559.db2.gz PXZWKTKMVULPEM-MFKMUULPSA-N 2 0 256.752 2.696 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000088868405 374863754 /nfs/dbraw/zinc/86/37/54/374863754.db2.gz VGYJBKLNIIPNPR-AWEZNQCLSA-N 2 0 279.453 2.724 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000089552284 374923218 /nfs/dbraw/zinc/92/32/18/374923218.db2.gz AUXVUHKJZWPHJX-BFQNTYOBSA-N 2 0 298.377 2.662 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678264102 541990058 /nfs/dbraw/zinc/99/00/58/541990058.db2.gz LBJAZQSGOQSIEY-CQSZACIVSA-N 2 0 258.409 2.948 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000092739727 375147351 /nfs/dbraw/zinc/14/73/51/375147351.db2.gz XKVCMPBVCOJJRN-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CC2 ZINC000092836861 375162734 /nfs/dbraw/zinc/16/27/34/375162734.db2.gz MGEIJXKRHQAJBL-BLLLJJGKSA-N 2 0 262.397 2.612 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CC2 ZINC000092836865 375163084 /nfs/dbraw/zinc/16/30/84/375163084.db2.gz MGEIJXKRHQAJBL-LRDDRELGSA-N 2 0 262.397 2.612 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC2 ZINC000092835315 375163186 /nfs/dbraw/zinc/16/31/86/375163186.db2.gz UJEGGOFWHSZTHG-MRXNPFEDSA-N 2 0 276.424 2.860 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC000093133430 375191219 /nfs/dbraw/zinc/19/12/19/375191219.db2.gz LJLLPTGTGPXALH-DAWZGUTISA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000093639482 375277264 /nfs/dbraw/zinc/27/72/64/375277264.db2.gz HYTSXRATLPVRDH-RHSMWYFYSA-N 2 0 276.424 2.857 20 0 CFADRP CC(C)OCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093514057 375261843 /nfs/dbraw/zinc/26/18/43/375261843.db2.gz COWNZVPQXZYYJX-LSDHHAIUSA-N 2 0 256.434 2.702 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000093516415 375262258 /nfs/dbraw/zinc/26/22/58/375262258.db2.gz HNEBHUOXFTXNSB-GDBMZVCRSA-N 2 0 261.413 2.790 20 0 CFADRP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000093942173 375332560 /nfs/dbraw/zinc/33/25/60/375332560.db2.gz JUVVEXLDMLWGDI-BQFCYCMXSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@H+](CCc1cccs1)CC1CC[NH2+]CC1 ZINC000094024896 375335288 /nfs/dbraw/zinc/33/52/88/375335288.db2.gz VHSJVXZTIVKNPT-UHFFFAOYSA-N 2 0 252.427 2.612 20 0 CFADRP CC[N@@H+](Cc1cccc(F)c1)CC1CC[NH2+]CC1 ZINC000094011264 375335744 /nfs/dbraw/zinc/33/57/44/375335744.db2.gz BVKZNEJJRORDCZ-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010799 375335755 /nfs/dbraw/zinc/33/57/55/375335755.db2.gz FKERKCWFJQQZMV-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070213 375338205 /nfs/dbraw/zinc/33/82/05/375338205.db2.gz LBGXYWXFUKVEAX-CYBMUJFWSA-N 2 0 280.387 2.717 20 0 CFADRP Cc1cccc([C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094070688 375339892 /nfs/dbraw/zinc/33/98/92/375339892.db2.gz LUEXLPWCHVDPFM-OAHLLOKOSA-N 2 0 276.424 2.886 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522037 375364727 /nfs/dbraw/zinc/36/47/27/375364727.db2.gz GMQJOFYQCVQJLT-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224198341 296229621 /nfs/dbraw/zinc/22/96/21/296229621.db2.gz YKQOIEWDVCFIET-QWRGUYRKSA-N 2 0 288.313 2.927 20 0 CFADRP CC[C@H](CNCC1=Cc2ccccc2OC1)[NH+]1CCCC1 ZINC000102421600 375674089 /nfs/dbraw/zinc/67/40/89/375674089.db2.gz XZMQHVXNCOGIRG-QGZVFWFLSA-N 2 0 286.419 2.926 20 0 CFADRP CC[C@H](C[N@H+](CCO)C1CCN(C)CC1)c1ccccc1 ZINC000505302501 247134836 /nfs/dbraw/zinc/13/48/36/247134836.db2.gz VYNMFLBZESQNNE-MRXNPFEDSA-N 2 0 290.451 2.569 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000513495153 247223358 /nfs/dbraw/zinc/22/33/58/247223358.db2.gz LYNYTIDQSKUWDN-NJAFHUGGSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000513697344 247224659 /nfs/dbraw/zinc/22/46/59/247224659.db2.gz MNUBRQNDNWWEPR-KZNAEPCWSA-N 2 0 288.435 2.836 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678698109 542059469 /nfs/dbraw/zinc/05/94/69/542059469.db2.gz NFRMZJMHBXMPDA-ZDUSSCGKSA-N 2 0 266.454 2.919 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000111695889 375863900 /nfs/dbraw/zinc/86/39/00/375863900.db2.gz FETLEJNHGJWCJG-HUUCEWRRSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000111635983 375860864 /nfs/dbraw/zinc/86/08/64/375860864.db2.gz HHUFOHBCJAPJBG-FMKPAKJESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000111695887 375863128 /nfs/dbraw/zinc/86/31/28/375863128.db2.gz FETLEJNHGJWCJG-LSDHHAIUSA-N 2 0 262.397 2.515 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000678774165 542067836 /nfs/dbraw/zinc/06/78/36/542067836.db2.gz FNDJAHWVCQRQFN-HOTGVXAUSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000113515764 376020494 /nfs/dbraw/zinc/02/04/94/376020494.db2.gz MVTNXGFOCCLHNO-QGZVFWFLSA-N 2 0 290.451 2.956 20 0 CFADRP Cc1nc(CC[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000119402052 376408678 /nfs/dbraw/zinc/40/86/78/376408678.db2.gz IPFRYOQCSVMMOS-UHFFFAOYSA-N 2 0 281.469 2.658 20 0 CFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000278105969 193834314 /nfs/dbraw/zinc/83/43/14/193834314.db2.gz APFAJMOOLYJUID-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000120925073 376724279 /nfs/dbraw/zinc/72/42/79/376724279.db2.gz QCYXVWQMSDAJKU-CQSZACIVSA-N 2 0 264.413 2.561 20 0 CFADRP C[C@@H]1C[C@@H](NCCC[NH+](C)C2CCCCC2)C[N@@H+]1C1CC1 ZINC000120779360 376691954 /nfs/dbraw/zinc/69/19/54/376691954.db2.gz LTEVLQIUQVBXMB-HZPDHXFCSA-N 2 0 293.499 2.856 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000120850231 376706104 /nfs/dbraw/zinc/70/61/04/376706104.db2.gz AFYVBKRQHAXQFT-AEFFLSMTSA-N 2 0 289.467 2.611 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000120954292 376732271 /nfs/dbraw/zinc/73/22/71/376732271.db2.gz GOEKJKKVHCQCQG-PBHICJAKSA-N 2 0 294.414 2.792 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCOC1 ZINC000120954606 376732474 /nfs/dbraw/zinc/73/24/74/376732474.db2.gz GOEKJKKVHCQCQG-YOEHRIQHSA-N 2 0 294.414 2.792 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)O ZINC000679014763 542109044 /nfs/dbraw/zinc/10/90/44/542109044.db2.gz AFCVZBQHUGBTDK-ZDUSSCGKSA-N 2 0 268.445 2.533 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)CCOc2cccc(F)c2)CCN1C ZINC000123751289 376975263 /nfs/dbraw/zinc/97/52/63/376975263.db2.gz MNUHCCIQBDVADO-UKRRQHHQSA-N 2 0 280.387 2.619 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000121829706 376915593 /nfs/dbraw/zinc/91/55/93/376915593.db2.gz ABBFPRIKMAFYBD-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](COC)C2CC2)c1 ZINC000124013751 377008140 /nfs/dbraw/zinc/00/81/40/377008140.db2.gz BNZQGIWLYYKOMF-QGZVFWFLSA-N 2 0 276.424 2.653 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000124888835 377100127 /nfs/dbraw/zinc/10/01/27/377100127.db2.gz ALCDYWGWKCANIN-UHFFFAOYSA-N 2 0 270.804 2.650 20 0 CFADRP CSCC[C@H](C)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000125231268 377130214 /nfs/dbraw/zinc/13/02/14/377130214.db2.gz AWVPQNVESQJBDM-AWEZNQCLSA-N 2 0 258.475 2.936 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000125292488 377138470 /nfs/dbraw/zinc/13/84/70/377138470.db2.gz VVGWHINRZSKXOE-SJLPKXTDSA-N 2 0 290.451 2.708 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](COC)C(C)C)CC1 ZINC000126342756 377223568 /nfs/dbraw/zinc/22/35/68/377223568.db2.gz BEONNFBFWNVAHP-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)C1CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529523939 383719367 /nfs/dbraw/zinc/71/93/67/383719367.db2.gz GOKMNTGVRDABTP-UHFFFAOYSA-N 2 0 257.381 2.694 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000125994309 377206311 /nfs/dbraw/zinc/20/63/11/377206311.db2.gz KHHHBBVSDFEBRN-GOEBONIOSA-N 2 0 290.455 2.508 20 0 CFADRP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000127315950 377275423 /nfs/dbraw/zinc/27/54/23/377275423.db2.gz NKGWCISIWGXLOQ-IAGOWNOFSA-N 2 0 289.467 2.590 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000128453776 377339339 /nfs/dbraw/zinc/33/93/39/377339339.db2.gz ZPMBBLRYWOMZNA-KRWDZBQOSA-N 2 0 286.423 2.678 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127872888 377305237 /nfs/dbraw/zinc/30/52/37/377305237.db2.gz HZDCURZQOAEUDC-WBMJQRKESA-N 2 0 289.398 2.779 20 0 CFADRP C[C@@H]1CC[N@H+](CCN(C)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000129438892 377427005 /nfs/dbraw/zinc/42/70/05/377427005.db2.gz FNZUWMSZGPNZFK-AEFFLSMTSA-N 2 0 298.434 2.902 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)CC2 ZINC000129610785 377452082 /nfs/dbraw/zinc/45/20/82/377452082.db2.gz GEHMGZUIVNYNMF-KBRIMQKVSA-N 2 0 288.435 2.625 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)CC2 ZINC000129611168 377452311 /nfs/dbraw/zinc/45/23/11/377452311.db2.gz GEHMGZUIVNYNMF-XYPHTWIQSA-N 2 0 288.435 2.625 20 0 CFADRP C[C@H]1C[C@@H](NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000129820308 377475403 /nfs/dbraw/zinc/47/54/03/377475403.db2.gz KRIGURFCJMBOCW-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000679334138 542170980 /nfs/dbraw/zinc/17/09/80/542170980.db2.gz IHECIFWPWUURAA-CVEARBPZSA-N 2 0 270.461 2.782 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000130221083 377523870 /nfs/dbraw/zinc/52/38/70/377523870.db2.gz ZYASOGWEZSRXQH-RKVPGOIHSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1F ZINC000679360531 542180131 /nfs/dbraw/zinc/18/01/31/542180131.db2.gz VDNKRLDMBNEWRB-PBHICJAKSA-N 2 0 294.414 2.807 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)N(C)C1CC1 ZINC000130827418 377617682 /nfs/dbraw/zinc/61/76/82/377617682.db2.gz RNQAERZFHQXHIX-CZUORRHYSA-N 2 0 258.409 2.616 20 0 CFADRP CC(C)[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000131501232 377720572 /nfs/dbraw/zinc/72/05/72/377720572.db2.gz XBDYYBXCIUTJMT-INIZCTEOSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)CC[N@@H+]1C ZINC000131548965 377726766 /nfs/dbraw/zinc/72/67/66/377726766.db2.gz KMKNOQZQMPEHNO-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000131575206 377731988 /nfs/dbraw/zinc/73/19/88/377731988.db2.gz NTQRXAFKXUOIGG-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000132052034 377796273 /nfs/dbraw/zinc/79/62/73/377796273.db2.gz NGCYPVLYYRANHZ-BFYDXBDKSA-N 2 0 275.440 2.807 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000133910879 377966942 /nfs/dbraw/zinc/96/69/42/377966942.db2.gz BSVQVARALVPWCC-OLZOCXBDSA-N 2 0 252.377 2.687 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000134003171 377975521 /nfs/dbraw/zinc/97/55/21/377975521.db2.gz LLUFTDRBPFMVBL-DLBZAZTESA-N 2 0 280.456 2.681 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCOC ZINC000348311759 284683722 /nfs/dbraw/zinc/68/37/22/284683722.db2.gz IVISGONUCGWKHC-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP C1C[C@H]([NH2+]C2CCSCC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000136358015 378196396 /nfs/dbraw/zinc/19/63/96/378196396.db2.gz VRTFFFQDMNSLKN-ZNMIVQPWSA-N 2 0 268.470 2.782 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000136394742 378197390 /nfs/dbraw/zinc/19/73/90/378197390.db2.gz WTCYWSVZBNEGNO-UHFFFAOYSA-N 2 0 282.815 2.706 20 0 CFADRP C[C@@H]([NH2+]Cc1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151082897 378292684 /nfs/dbraw/zinc/29/26/84/378292684.db2.gz IAEBQGHXKTYENH-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCOC1 ZINC000151089823 378292291 /nfs/dbraw/zinc/29/22/91/378292291.db2.gz WXYKDOYAMZEUNE-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000151355415 378320147 /nfs/dbraw/zinc/32/01/47/378320147.db2.gz UHCDXCLGQJOZJE-MRXNPFEDSA-N 2 0 289.423 2.561 20 0 CFADRP CCCCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000152217085 378403315 /nfs/dbraw/zinc/40/33/15/378403315.db2.gz ZFPOJOGBUGDNFC-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cncs1 ZINC000152762621 378444170 /nfs/dbraw/zinc/44/41/70/378444170.db2.gz UOJPYQPZZCIRMA-LLVKDONJSA-N 2 0 276.409 2.569 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000152843298 378450949 /nfs/dbraw/zinc/45/09/49/378450949.db2.gz RWEDKWBFQCGXIC-YOEHRIQHSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCOC2)CCCN1Cc1ccccc1 ZINC000152949776 378462454 /nfs/dbraw/zinc/46/24/54/378462454.db2.gz OUHFJODZTIQMCU-QZTJIDSGSA-N 2 0 288.435 2.810 20 0 CFADRP Cc1cnn(CCCCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152490318 378420710 /nfs/dbraw/zinc/42/07/10/378420710.db2.gz GUNUEEZDZMQADT-QGZVFWFLSA-N 2 0 292.471 2.635 20 0 CFADRP O=C1CC[C@@H]([NH2+][C@@H]2CCc3nc[nH]c3C2)c2ccccc2N1 ZINC000329771238 378495666 /nfs/dbraw/zinc/49/56/66/378495666.db2.gz GRFYYZOOCWWNDI-BXUZGUMPSA-N 2 0 296.374 2.980 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)o1 ZINC000154332080 378559414 /nfs/dbraw/zinc/55/94/14/378559414.db2.gz NEBSRBSNKNESRE-OAHLLOKOSA-N 2 0 293.455 2.520 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000154533830 378575662 /nfs/dbraw/zinc/57/56/62/378575662.db2.gz ZIEGPPSCFCTDQC-XIRDDKMYSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000155125527 378611343 /nfs/dbraw/zinc/61/13/43/378611343.db2.gz VTFLTVQRJLPMDO-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000331364437 378677862 /nfs/dbraw/zinc/67/78/62/378677862.db2.gz BVZFMHDWGYUKHD-GRYCIOLGSA-N 2 0 279.453 2.800 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334847432 295313649 /nfs/dbraw/zinc/31/36/49/295313649.db2.gz MRGDWTDEBDVHBM-HIFRSBDPSA-N 2 0 266.429 2.585 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)CCC(=O)OC(C)(C)C ZINC000161538955 378854645 /nfs/dbraw/zinc/85/46/45/378854645.db2.gz AFJPGGSMNFBTOB-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cccn2C)C1 ZINC000161662892 378864233 /nfs/dbraw/zinc/86/42/33/378864233.db2.gz BWKUUGGNCWPLMM-OAHLLOKOSA-N 2 0 263.429 2.627 20 0 CFADRP CC[N@H+](CCn1ccnc1)[C@@H](C)c1cccc(O)c1 ZINC000161967427 378884482 /nfs/dbraw/zinc/88/44/82/378884482.db2.gz GFHMCSQJARDRFD-ZDUSSCGKSA-N 2 0 259.353 2.672 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)CCn1ccnc1 ZINC000162229962 378902820 /nfs/dbraw/zinc/90/28/20/378902820.db2.gz FTYUCDVORJUAMF-UHFFFAOYSA-N 2 0 279.771 2.547 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000162918316 378943755 /nfs/dbraw/zinc/94/37/55/378943755.db2.gz LHJTYHQSPIPOJQ-HNNXBMFYSA-N 2 0 298.434 2.867 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000163289242 378964578 /nfs/dbraw/zinc/96/45/78/378964578.db2.gz BLEGJRGXDLMVFL-KBPBESRZSA-N 2 0 293.430 2.884 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1F ZINC000335270979 378999868 /nfs/dbraw/zinc/99/98/68/378999868.db2.gz WSJLFGAIKQGPIW-GASCZTMLSA-N 2 0 262.372 2.566 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147876 284736559 /nfs/dbraw/zinc/73/65/59/284736559.db2.gz FKRNUJHAKKCIQN-QZTJIDSGSA-N 3 0 289.467 2.745 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)CCCC1 ZINC000421823036 284740293 /nfs/dbraw/zinc/74/02/93/284740293.db2.gz YNSLVHFVGVNPHO-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1F ZINC000165925885 379044532 /nfs/dbraw/zinc/04/45/32/379044532.db2.gz MWWOISORMKVPAW-ZIAGYGMSSA-N 2 0 282.403 2.833 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000334296046 379048508 /nfs/dbraw/zinc/04/85/08/379048508.db2.gz XVZATIANFCNSMF-FCCDEINASA-N 3 0 293.499 2.569 20 0 CFADRP CO[C@H]1CCN(Cc2ccc(C(C)(C)C)s2)[C@@H](C[NH3+])C1 ZINC000167164326 379068707 /nfs/dbraw/zinc/06/87/07/379068707.db2.gz BJPFUBKPXKZMSW-OLZOCXBDSA-N 2 0 296.480 2.984 20 0 CFADRP C[NH+](C)CCc1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000166738640 379060669 /nfs/dbraw/zinc/06/06/69/379060669.db2.gz LYQHSQPLPSMMOW-UHFFFAOYSA-N 2 0 291.439 2.638 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000335310975 379061309 /nfs/dbraw/zinc/06/13/09/379061309.db2.gz HPYKFOGOHANCJH-PBHICJAKSA-N 2 0 274.408 2.784 20 0 CFADRP CC(C)c1ncc(CN2CC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC000335321112 379083288 /nfs/dbraw/zinc/08/32/88/379083288.db2.gz HOLHEWLFYVXIBV-HNNXBMFYSA-N 2 0 279.453 2.794 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc2cccnc12 ZINC000335333832 379110149 /nfs/dbraw/zinc/11/01/49/379110149.db2.gz HTRWYCCMTIFRIB-CZUORRHYSA-N 2 0 269.392 2.712 20 0 CFADRP C(=C/c1ccccc1)\CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334323991 379093701 /nfs/dbraw/zinc/09/37/01/379093701.db2.gz ZVILQNKVDVUVAI-IOMDMTNGSA-N 2 0 256.393 2.775 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000335414074 379248928 /nfs/dbraw/zinc/24/89/28/379248928.db2.gz FEBCNARDECGWLG-UHFFFAOYSA-N 2 0 262.372 2.886 20 0 CFADRP Cc1nn(C(C)C)cc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334423073 379271168 /nfs/dbraw/zinc/27/11/68/379271168.db2.gz FDZMHXANJHFAGQ-KRWDZBQOSA-N 2 0 290.455 2.690 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C/C=C/c2ccncc2)C1 ZINC000334428514 379281048 /nfs/dbraw/zinc/28/10/48/379281048.db2.gz SNOJNERNLUQHOL-BPTRJATKSA-N 2 0 271.408 2.511 20 0 CFADRP Cn1c2c(cccc2F)nc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000334437968 379298199 /nfs/dbraw/zinc/29/81/99/379298199.db2.gz IYACBAMIQOSWEI-GFCCVEGCSA-N 2 0 290.386 2.633 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335484327 379381545 /nfs/dbraw/zinc/38/15/45/379381545.db2.gz UUZJBGMHTYYKGV-IAGOWNOFSA-N 2 0 258.409 2.973 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000335499150 379406078 /nfs/dbraw/zinc/40/60/78/379406078.db2.gz AQBCDIQZLXVWJN-RPFQZYLTSA-N 2 0 266.335 2.812 20 0 CFADRP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000335502757 379412998 /nfs/dbraw/zinc/41/29/98/379412998.db2.gz YZJQBVZNFOVSCJ-SFHVURJKSA-N 2 0 298.430 2.898 20 0 CFADRP CCc1ncc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335543092 379483003 /nfs/dbraw/zinc/48/30/03/379483003.db2.gz IOLYJCGRBRETCZ-GFCCVEGCSA-N 2 0 279.453 2.670 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC000334548046 379503189 /nfs/dbraw/zinc/50/31/89/379503189.db2.gz LUGMVBCJFYZWBB-CQSZACIVSA-N 2 0 272.383 2.840 20 0 CFADRP Clc1cccc(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000335562392 379515957 /nfs/dbraw/zinc/51/59/57/379515957.db2.gz VNCRCVPWABTUJR-UHFFFAOYSA-N 2 0 250.773 2.668 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000335633578 379632004 /nfs/dbraw/zinc/63/20/04/379632004.db2.gz KLRHHVQAPQOYRD-KGLIPLIRSA-N 2 0 250.411 2.570 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000335635183 379636678 /nfs/dbraw/zinc/63/66/78/379636678.db2.gz QOCRMEGQGSNIIJ-UONOGXRCSA-N 2 0 279.453 2.581 20 0 CFADRP CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000334610270 379620122 /nfs/dbraw/zinc/62/01/22/379620122.db2.gz VLFPKIYPZABAEK-MZBDJJRSSA-N 2 0 259.397 2.705 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000335669963 379692917 /nfs/dbraw/zinc/69/29/17/379692917.db2.gz KBGFMXYKRGLXQY-POSLAHMBSA-N 2 0 262.319 2.544 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335665530 379683076 /nfs/dbraw/zinc/68/30/76/379683076.db2.gz KVBDWIDAJPOINM-IAGOWNOFSA-N 2 0 292.467 2.896 20 0 CFADRP c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)oc1-c1ccccc1 ZINC000334711022 379807948 /nfs/dbraw/zinc/80/79/48/379807948.db2.gz YOACCPPEMMKNHV-UHFFFAOYSA-N 2 0 297.402 2.917 20 0 CFADRP CSCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000173781592 379776470 /nfs/dbraw/zinc/77/64/70/379776470.db2.gz RKHGKTWXBLHYQA-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000335800820 379911732 /nfs/dbraw/zinc/91/17/32/379911732.db2.gz LJQFXQDNWRTEBF-AWEZNQCLSA-N 2 0 283.419 2.567 20 0 CFADRP Cc1ccn2c(CN3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)cnc2c1 ZINC000334750309 379880007 /nfs/dbraw/zinc/88/00/07/379880007.db2.gz PWQCIXJYRHEEFT-HOTGVXAUSA-N 2 0 298.434 2.701 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC000334819603 379929027 /nfs/dbraw/zinc/92/90/27/379929027.db2.gz PSLMYRHQLGGSEY-OLZOCXBDSA-N 2 0 262.372 2.572 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3cccc(F)c3C2)CC[NH2+]1 ZINC000334857835 379934744 /nfs/dbraw/zinc/93/47/44/379934744.db2.gz OWUSXWQGEKOOJY-OLZOCXBDSA-N 2 0 262.372 2.572 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010837 379955713 /nfs/dbraw/zinc/95/57/13/379955713.db2.gz QXVIMPJZHIQJEL-HZPDHXFCSA-N 2 0 280.456 2.975 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000335180757 379991310 /nfs/dbraw/zinc/99/13/10/379991310.db2.gz UAFWOUSUTJKZSZ-UONOGXRCSA-N 2 0 268.470 2.688 20 0 CFADRP Fc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000335242592 380068780 /nfs/dbraw/zinc/06/87/80/380068780.db2.gz SSSBFRJVOOFQFX-ZDUSSCGKSA-N 2 0 262.372 2.574 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000335250891 380081814 /nfs/dbraw/zinc/08/18/14/380081814.db2.gz URMNLNWFQCKXJL-SJORKVTESA-N 2 0 287.451 2.587 20 0 CFADRP COc1ccc2oc(CN3CC[C@H]([NH3+])[C@H](C)C3)cc2c1 ZINC000335227232 380040980 /nfs/dbraw/zinc/04/09/80/380040980.db2.gz AQLSOHBFGCUJGB-ABAIWWIYSA-N 2 0 274.364 2.611 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335227623 380042373 /nfs/dbraw/zinc/04/23/73/380042373.db2.gz PFDQUPJJBLFYKA-MWLCHTKSSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@H]1C[C@H](NCc2sccc2Br)CC[NH2+]1 ZINC000335256818 380092306 /nfs/dbraw/zinc/09/23/06/380092306.db2.gz GILSKKRZKMLPOK-DTWKUNHWSA-N 2 0 289.242 2.741 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc2cccnc12 ZINC000335260650 380098480 /nfs/dbraw/zinc/09/84/80/380098480.db2.gz NZAJFKKXSUVIGQ-XJKSGUPXSA-N 2 0 269.392 2.773 20 0 CFADRP COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000176222812 380197680 /nfs/dbraw/zinc/19/76/80/380197680.db2.gz CZBVEKXKAOSYCW-INIZCTEOSA-N 2 0 290.451 2.913 20 0 CFADRP c1cc([C@H]2CCCCC[N@H+]2CC2CC[NH2+]CC2)ccn1 ZINC000336054974 380259204 /nfs/dbraw/zinc/25/92/04/380259204.db2.gz SRRBXPZNWQJHBW-QGZVFWFLSA-N 2 0 273.424 2.998 20 0 CFADRP c1cc([C@@H]2CCCCC[N@H+]2CC2CC[NH2+]CC2)ccn1 ZINC000336054973 380259368 /nfs/dbraw/zinc/25/93/68/380259368.db2.gz SRRBXPZNWQJHBW-KRWDZBQOSA-N 2 0 273.424 2.998 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CCCOC)CC1 ZINC000177947770 380395755 /nfs/dbraw/zinc/39/57/55/380395755.db2.gz GCLTXXRPUUVGJR-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178242007 380426914 /nfs/dbraw/zinc/42/69/14/380426914.db2.gz HXRQJUXOMGPHLB-GJZGRUSLSA-N 2 0 281.488 2.569 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C(C)(C)C)c2)CC1 ZINC000336537589 380433473 /nfs/dbraw/zinc/43/34/73/380433473.db2.gz YGUGRRPRNDHOAM-UHFFFAOYSA-N 2 0 290.455 2.698 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H](C)O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279093044 194281565 /nfs/dbraw/zinc/28/15/65/194281565.db2.gz NOUKEPHSDZEKJV-LZLYRXPVSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178038372 380403633 /nfs/dbraw/zinc/40/36/33/380403633.db2.gz XITJEGIDMLGSPN-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000336528518 380419111 /nfs/dbraw/zinc/41/91/11/380419111.db2.gz YYWNSISDDNCLLD-UHFFFAOYSA-N 2 0 265.426 2.512 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1(CC)CC ZINC000178977163 380498759 /nfs/dbraw/zinc/49/87/59/380498759.db2.gz WXYZJFIHYMZPDL-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000178980060 380498944 /nfs/dbraw/zinc/49/89/44/380498944.db2.gz UGBYOPCAYDIFAU-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336604941 380535294 /nfs/dbraw/zinc/53/52/94/380535294.db2.gz HESPUDPBHHQYDP-CQSZACIVSA-N 2 0 264.438 2.878 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000336788232 380633709 /nfs/dbraw/zinc/63/37/09/380633709.db2.gz GPUYOIYINIMCOO-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP Cc1sccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336681651 380590061 /nfs/dbraw/zinc/59/00/61/380590061.db2.gz DWYILRUHDVPMNU-KBPBESRZSA-N 2 0 250.411 2.773 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1sccc1Br ZINC000336690236 380594812 /nfs/dbraw/zinc/59/48/12/380594812.db2.gz OMEPBIFRGQTZPJ-QMMMGPOBSA-N 2 0 277.231 2.728 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000336714877 380605135 /nfs/dbraw/zinc/60/51/35/380605135.db2.gz WKPCKQHTENAROP-ZJUUUORDSA-N 2 0 271.202 2.695 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000336713317 380606381 /nfs/dbraw/zinc/60/63/81/380606381.db2.gz MSLPKMSRFYPXAO-DOTOQJQBSA-N 2 0 276.424 2.666 20 0 CFADRP CC(C)SCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336723779 380614906 /nfs/dbraw/zinc/61/49/06/380614906.db2.gz YXIDAYBKZIPPDI-UHFFFAOYSA-N 2 0 258.475 2.933 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000180455748 380662684 /nfs/dbraw/zinc/66/26/84/380662684.db2.gz XHPINYSEOQSBNF-QLFBSQMISA-N 2 0 256.434 2.510 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180789293 380699209 /nfs/dbraw/zinc/69/92/09/380699209.db2.gz JVGJJXPZNWIOTH-UHFFFAOYSA-N 2 0 290.455 2.811 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000295339052 380797511 /nfs/dbraw/zinc/79/75/11/380797511.db2.gz HVYQXOILRDZTFB-IUODEOHRSA-N 2 0 264.438 2.589 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000341184287 380820511 /nfs/dbraw/zinc/82/05/11/380820511.db2.gz IVDAFLMFNSOGPI-UHFFFAOYSA-N 2 0 296.842 2.992 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346999268 380863588 /nfs/dbraw/zinc/86/35/88/380863588.db2.gz FXJISJDCIPWOAI-HIFRSBDPSA-N 2 0 284.407 2.636 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000346998570 380863680 /nfs/dbraw/zinc/86/36/80/380863680.db2.gz DDSVABOSHXZKEZ-GFCCVEGCSA-N 2 0 292.471 2.814 20 0 CFADRP C[N@H+](CCC[NH2+]CC[C@@H]1CCOC1)Cc1ccccc1 ZINC000400622838 380864379 /nfs/dbraw/zinc/86/43/79/380864379.db2.gz PGCGHDQVMYBRHF-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP C[C@H]([C@H]1CC[NH2+]C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000400697354 380864784 /nfs/dbraw/zinc/86/47/84/380864784.db2.gz BGQOZJCESZXVLA-QAPCUYQASA-N 2 0 272.436 2.939 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000181700476 380865617 /nfs/dbraw/zinc/86/56/17/380865617.db2.gz WJVDLCNRORPBNX-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400996517 380866535 /nfs/dbraw/zinc/86/65/35/380866535.db2.gz JCUHPCCCJBSRON-QMCVQRASSA-N 2 0 288.435 2.604 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000295458999 380868802 /nfs/dbraw/zinc/86/88/02/380868802.db2.gz QRQPJZGCDAFIDY-CZIKEKGBSA-N 2 0 288.435 2.662 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401156946 380868965 /nfs/dbraw/zinc/86/89/65/380868965.db2.gz ROFGQWXDAWIGDY-HWMZRRJGSA-N 2 0 256.393 2.652 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401030868 380869380 /nfs/dbraw/zinc/86/93/80/380869380.db2.gz WSEHYINEBQDBEW-DRPJVOAASA-N 2 0 274.408 2.734 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000401108362 380869793 /nfs/dbraw/zinc/86/97/93/380869793.db2.gz FZFADSKQRUCRSM-SPWCGHHHSA-N 2 0 292.398 2.873 20 0 CFADRP CC1CCC([N@H+](C[C@H]2CCCO2)CC(C)(C)[NH3+])CC1 ZINC000347006415 380870704 /nfs/dbraw/zinc/87/07/04/380870704.db2.gz QDSNBJUVGTUAOS-YMAMQOFZSA-N 2 0 268.445 2.783 20 0 CFADRP c1c2ccccc2nn1[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000367989960 380876721 /nfs/dbraw/zinc/87/67/21/380876721.db2.gz QIHZEKNPNYLFJF-KRWDZBQOSA-N 2 0 298.434 2.769 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000347011366 380877325 /nfs/dbraw/zinc/87/73/25/380877325.db2.gz JSNQWYOPUIWKRR-GJZGRUSLSA-N 2 0 297.487 2.534 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000181557824 380827295 /nfs/dbraw/zinc/82/72/95/380827295.db2.gz CJISIDYAOPFODI-QXSJWSMHSA-N 2 0 280.456 2.512 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346976830 380838321 /nfs/dbraw/zinc/83/83/21/380838321.db2.gz KFBSMLXYVNUNBV-WBVHZDCISA-N 2 0 273.424 2.563 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181615353 380843961 /nfs/dbraw/zinc/84/39/61/380843961.db2.gz WWILDHMDRDUGPC-UKRRQHHQSA-N 2 0 262.397 2.576 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CCOC1CCC1)CC2)C1CC1 ZINC000367877472 380844104 /nfs/dbraw/zinc/84/41/04/380844104.db2.gz ZKSLCWVFLULONG-OAHLLOKOSA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)([NH3+])CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000346982327 380844547 /nfs/dbraw/zinc/84/45/47/380844547.db2.gz NKULTICRAPUASI-NSHDSACASA-N 2 0 268.788 2.530 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000367903175 380852779 /nfs/dbraw/zinc/85/27/79/380852779.db2.gz MRXBYYWBNRUYLH-QAPCUYQASA-N 2 0 292.467 2.966 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000346991442 380853856 /nfs/dbraw/zinc/85/38/56/380853856.db2.gz XFAXKMNYJBACLB-KBPBESRZSA-N 2 0 299.503 2.636 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346991527 380854905 /nfs/dbraw/zinc/85/49/05/380854905.db2.gz SZYKPMHNNMFBKO-SFHVURJKSA-N 3 0 295.515 2.820 20 0 CFADRP C[C@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400429885 380858722 /nfs/dbraw/zinc/85/87/22/380858722.db2.gz BJVXIXCTQVIICE-SZMVWBNQSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000400514595 380861376 /nfs/dbraw/zinc/86/13/76/380861376.db2.gz GEKJYFVLUMXLEX-RYRKJORJSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347086258 380929766 /nfs/dbraw/zinc/92/97/66/380929766.db2.gz BZVNTKCURXKTIH-HNNXBMFYSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368017617 380885614 /nfs/dbraw/zinc/88/56/14/380885614.db2.gz NHALWCHYDGMMHB-GUDVDZBRSA-N 2 0 299.462 2.739 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000368017618 380887160 /nfs/dbraw/zinc/88/71/60/380887160.db2.gz NHALWCHYDGMMHB-QRVBRYPASA-N 2 0 299.462 2.739 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000402565804 380888099 /nfs/dbraw/zinc/88/80/99/380888099.db2.gz MCWYBVUWAFXXAQ-SDDRHHMPSA-N 2 0 266.351 2.895 20 0 CFADRP COC1CC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000347048179 380904261 /nfs/dbraw/zinc/90/42/61/380904261.db2.gz CSKILHUUCBMMMP-UHFFFAOYSA-N 2 0 288.435 2.666 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)C1(C)C ZINC000181823337 380905128 /nfs/dbraw/zinc/90/51/28/380905128.db2.gz XNNOJKDIRRZREW-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000341299523 380914554 /nfs/dbraw/zinc/91/45/54/380914554.db2.gz DCLOIHFJRVUBGL-INIZCTEOSA-N 2 0 292.471 2.970 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCNc2ccccn2)C1(C)C ZINC000181867161 380921749 /nfs/dbraw/zinc/92/17/49/380921749.db2.gz UOHJMNOMFUYSMY-KBPBESRZSA-N 2 0 277.412 2.677 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCNc2ccccn2)[C@H]2CCCO[C@@H]21 ZINC000181867037 380921851 /nfs/dbraw/zinc/92/18/51/380921851.db2.gz MHGHIFARTWLDTE-KBMXLJTQSA-N 2 0 289.423 2.677 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000347128179 380959447 /nfs/dbraw/zinc/95/94/47/380959447.db2.gz ZQQXKJRTOUTIEK-CQSZACIVSA-N 2 0 269.392 2.585 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000353931932 380965396 /nfs/dbraw/zinc/96/53/96/380965396.db2.gz RBYJKJCQXOVMKU-SJORKVTESA-N 2 0 273.424 2.539 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000353931930 380965917 /nfs/dbraw/zinc/96/59/17/380965917.db2.gz RBYJKJCQXOVMKU-IAGOWNOFSA-N 2 0 273.424 2.539 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(c3ncccc3C)CC2)CC1 ZINC000368257172 380971184 /nfs/dbraw/zinc/97/11/84/380971184.db2.gz BKHQOASMERQWMR-UHFFFAOYSA-N 2 0 287.451 2.886 20 0 CFADRP COc1cccc(CN(C)C2CC[NH2+]CC2)c1OC(C)C ZINC000347163211 380978041 /nfs/dbraw/zinc/97/80/41/380978041.db2.gz IGPBEDWSLBGVCV-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353954259 380982720 /nfs/dbraw/zinc/98/27/20/380982720.db2.gz JRJBFIVGIWGLNM-MNOVXSKESA-N 2 0 264.335 2.649 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347095888 380935090 /nfs/dbraw/zinc/93/50/90/380935090.db2.gz INVSGJAZUCUTOR-MRXNPFEDSA-N 2 0 281.403 2.790 20 0 CFADRP COCc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)o1 ZINC000353901014 380943339 /nfs/dbraw/zinc/94/33/39/380943339.db2.gz PCEGPACFHYBGID-UHFFFAOYSA-N 2 0 275.352 2.529 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@](C)(O)C3CC3)CC2)C1 ZINC000358717164 381031943 /nfs/dbraw/zinc/03/19/43/381031943.db2.gz QHQPZDHWPAUKKB-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP C[NH2+]C[C@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000347189417 380991143 /nfs/dbraw/zinc/99/11/43/380991143.db2.gz DJMHPMZPYZQOHZ-CYBMUJFWSA-N 2 0 287.432 2.851 20 0 CFADRP Cc1[nH+]ccc(N(C)CCC[NH+]2CCCC2)c1Cl ZINC000358671654 381005408 /nfs/dbraw/zinc/00/54/08/381005408.db2.gz CSYKHCYOKPHXKC-UHFFFAOYSA-N 2 0 267.804 2.966 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCOC)CC1)CC(C)C ZINC000358747963 381051866 /nfs/dbraw/zinc/05/18/66/381051866.db2.gz UVCXOBMJSQAZCT-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000358755253 381060478 /nfs/dbraw/zinc/06/04/78/381060478.db2.gz NWQQFMQORZMZSC-MRXNPFEDSA-N 2 0 290.455 2.509 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1(C)CC1 ZINC000182266317 381044423 /nfs/dbraw/zinc/04/44/23/381044423.db2.gz WPNLIKMFFNHMDZ-PBHICJAKSA-N 2 0 288.435 2.531 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000368608333 381082903 /nfs/dbraw/zinc/08/29/03/381082903.db2.gz NOOLWOIKQXAAJV-MJBXVCDLSA-N 2 0 268.470 2.735 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000182399856 381083442 /nfs/dbraw/zinc/08/34/42/381083442.db2.gz AAUIPIURZOEUDG-QGZVFWFLSA-N 2 0 294.414 2.761 20 0 CFADRP C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ncc[nH]1 ZINC000368614955 381085715 /nfs/dbraw/zinc/08/57/15/381085715.db2.gz ORQVKSMUQPJVKO-NSHDSACASA-N 2 0 285.326 2.585 20 0 CFADRP C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ncc[nH]1 ZINC000368614951 381086401 /nfs/dbraw/zinc/08/64/01/381086401.db2.gz ORQVKSMUQPJVKO-LLVKDONJSA-N 2 0 285.326 2.585 20 0 CFADRP Cc1cccc(CN(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000347372579 381105766 /nfs/dbraw/zinc/10/57/66/381105766.db2.gz XJRCEXFKLPGYCL-UHFFFAOYSA-N 2 0 261.413 2.695 20 0 CFADRP COc1ccccc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354100423 381079574 /nfs/dbraw/zinc/07/95/74/381079574.db2.gz MJNHMBXESNBRGG-MRXNPFEDSA-N 2 0 288.435 2.859 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000354205319 381139762 /nfs/dbraw/zinc/13/97/62/381139762.db2.gz AJAWYTIBXOTFBX-BBWFWOEESA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCOC)C[C@@H]1C ZINC000354218204 381146476 /nfs/dbraw/zinc/14/64/76/381146476.db2.gz AKSSYELJJMCWSP-GJZGRUSLSA-N 2 0 256.434 2.608 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347437161 381149941 /nfs/dbraw/zinc/14/99/41/381149941.db2.gz LAHFKLVMBWQAPM-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCn2ccnc2)CC1 ZINC000182773060 381154541 /nfs/dbraw/zinc/15/45/41/381154541.db2.gz HKESLKJNBORUPL-UHFFFAOYSA-N 2 0 292.471 2.717 20 0 CFADRP CC(C)CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000368922069 381164056 /nfs/dbraw/zinc/16/40/56/381164056.db2.gz VZKSVGOSSDSPRT-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CCCCO1 ZINC000347475297 381175912 /nfs/dbraw/zinc/17/59/12/381175912.db2.gz VWFKGKVISBAGBO-NXHRZFHOSA-N 2 0 292.467 2.894 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000347495578 381186896 /nfs/dbraw/zinc/18/68/96/381186896.db2.gz ZAWIPGVWSSFDQZ-PMPSAXMXSA-N 2 0 268.445 2.608 20 0 CFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000295990863 381200646 /nfs/dbraw/zinc/20/06/46/381200646.db2.gz LWKZTPBIYRUEFV-ROUUACIJSA-N 2 0 290.451 2.660 20 0 CFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000295990873 381201440 /nfs/dbraw/zinc/20/14/40/381201440.db2.gz LWKZTPBIYRUEFV-ZWKOTPCHSA-N 2 0 290.451 2.660 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000183073556 381208588 /nfs/dbraw/zinc/20/85/88/381208588.db2.gz MVLFECKHZSUVPN-JKSUJKDBSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]([NH2+]CC1=CCCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100277 381215345 /nfs/dbraw/zinc/21/53/45/381215345.db2.gz HFSSZWSZXBHAPH-ZBFHGGJFSA-N 2 0 278.440 2.576 20 0 CFADRP C[C@H]([NH2+]CCN1CCC(O)CC1)c1cccc2ccccc21 ZINC000296092476 381251224 /nfs/dbraw/zinc/25/12/24/381251224.db2.gz YEEKTSHHJSZXAS-HNNXBMFYSA-N 2 0 298.430 2.947 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cn1 ZINC000347632331 381266078 /nfs/dbraw/zinc/26/60/78/381266078.db2.gz AYTJILGHJFSHFN-AWEZNQCLSA-N 2 0 270.380 2.747 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnccc2C)CC1 ZINC000354460527 381285769 /nfs/dbraw/zinc/28/57/69/381285769.db2.gz LTHVHXUTIDABMU-UHFFFAOYSA-N 2 0 261.413 2.602 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000296261266 381324509 /nfs/dbraw/zinc/32/45/09/381324509.db2.gz DIXSZEZSVHPKGA-CQSZACIVSA-N 2 0 261.413 2.602 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000347736321 381325241 /nfs/dbraw/zinc/32/52/41/381325241.db2.gz GDLRLGMFSMATDN-CRAIPNDOSA-N 2 0 289.467 2.567 20 0 CFADRP CC(C)[C@H]([NH2+]CCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000359282572 381326346 /nfs/dbraw/zinc/32/63/46/381326346.db2.gz XMZLYRZWJFBBEN-HNNXBMFYSA-N 2 0 291.395 2.772 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C(C)C ZINC000290171697 381328080 /nfs/dbraw/zinc/32/80/80/381328080.db2.gz DUDPNLGKSWNGSI-MRXNPFEDSA-N 2 0 293.455 2.936 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290176657 381331687 /nfs/dbraw/zinc/33/16/87/381331687.db2.gz FBYPWBQGYDZGSR-BPQIPLTHSA-N 2 0 288.435 2.666 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000354552631 381336684 /nfs/dbraw/zinc/33/66/84/381336684.db2.gz SMOZMSAHODVVKP-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP COCCC[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183953808 381345860 /nfs/dbraw/zinc/34/58/60/381345860.db2.gz HRRCYOGYOHHNGX-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000354581975 381350881 /nfs/dbraw/zinc/35/08/81/381350881.db2.gz YMVMAVJRWBWFTE-UHFFFAOYSA-N 2 0 262.372 2.740 20 0 CFADRP C[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000342491521 381357661 /nfs/dbraw/zinc/35/76/61/381357661.db2.gz CPWJCUIHGSPTSC-INIZCTEOSA-N 2 0 290.451 2.833 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290305665 381376316 /nfs/dbraw/zinc/37/63/16/381376316.db2.gz BSMDXTXNHCQWMR-MSOLQXFVSA-N 2 0 288.435 2.749 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(C)c1O ZINC000290384045 381405710 /nfs/dbraw/zinc/40/57/10/381405710.db2.gz IHTIVYFMAFEPBG-IAGOWNOFSA-N 2 0 288.435 2.925 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000370208237 381405949 /nfs/dbraw/zinc/40/59/49/381405949.db2.gz QNSOHVATJHQMAX-HUUCEWRRSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000296467961 381407918 /nfs/dbraw/zinc/40/79/18/381407918.db2.gz NPFXYMODLORGBR-YQQAZPJKSA-N 2 0 275.440 2.641 20 0 CFADRP CC(C)=CC[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000370082071 381381108 /nfs/dbraw/zinc/38/11/08/381381108.db2.gz JAQUHWUYAINRKB-UHFFFAOYSA-N 2 0 288.439 2.960 20 0 CFADRP Cn1cc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C)cn1 ZINC000342559029 381395898 /nfs/dbraw/zinc/39/58/98/381395898.db2.gz FJDUFKWHRLMTTH-XHSDSOJGSA-N 2 0 290.455 2.724 20 0 CFADRP C[C@H](CC1CC1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290370282 381402403 /nfs/dbraw/zinc/40/24/03/381402403.db2.gz RHTHVDOGJGNFFY-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP COCCC[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184497762 381423990 /nfs/dbraw/zinc/42/39/90/381423990.db2.gz QIUWADZVEMVFBK-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]CC2CCOCC2)[C@@H]1c1ccccc1 ZINC000370310662 381426671 /nfs/dbraw/zinc/42/66/71/381426671.db2.gz RPEVYLBPMPODCB-MSOLQXFVSA-N 2 0 288.435 2.696 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000296517780 381430185 /nfs/dbraw/zinc/43/01/85/381430185.db2.gz RWHIIWXKRQGMBJ-BBRMVZONSA-N 2 0 287.432 2.773 20 0 CFADRP COC(=O)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000347961696 381436603 /nfs/dbraw/zinc/43/66/03/381436603.db2.gz NSEDRUSTOMDNAY-CVEARBPZSA-N 2 0 296.455 2.572 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000342618068 381437080 /nfs/dbraw/zinc/43/70/80/381437080.db2.gz SIUAVGOLYYDWQW-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000342616741 381437236 /nfs/dbraw/zinc/43/72/36/381437236.db2.gz QNPLRPRXNHFEQD-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000342633094 381445537 /nfs/dbraw/zinc/44/55/37/381445537.db2.gz WYMOEKFUDHSBPH-OAHLLOKOSA-N 2 0 283.504 2.817 20 0 CFADRP CCC1CC([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000342695577 381483965 /nfs/dbraw/zinc/48/39/65/381483965.db2.gz BATLXGNAYFLSBS-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2CC)[C@H](C)C1 ZINC000348121952 381463709 /nfs/dbraw/zinc/46/37/09/381463709.db2.gz KAPWTXRDFLEXOG-LTIDMASMSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccs2)C1 ZINC000290530976 381467233 /nfs/dbraw/zinc/46/72/33/381467233.db2.gz QRVADGPFTYWLNB-OCCSQVGLSA-N 2 0 250.411 2.664 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@H]1c1cccs1 ZINC000370758470 381507823 /nfs/dbraw/zinc/50/78/23/381507823.db2.gz SZNZVZJWWPORGD-HOCLYGCPSA-N 2 0 292.448 2.677 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000370879543 381509159 /nfs/dbraw/zinc/50/91/59/381509159.db2.gz UPMKWPKBOYXMEZ-DLBZAZTESA-N 2 0 293.499 2.810 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000184997300 381509627 /nfs/dbraw/zinc/50/96/27/381509627.db2.gz KCJCEHDEGZHGLH-PBHICJAKSA-N 2 0 273.424 2.997 20 0 CFADRP CCOCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354901995 381514036 /nfs/dbraw/zinc/51/40/36/381514036.db2.gz SQUSFNAHXMKVPM-UHFFFAOYSA-N 2 0 291.439 2.656 20 0 CFADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1F ZINC000290580454 381488292 /nfs/dbraw/zinc/48/82/92/381488292.db2.gz UNEZYOOXSRFIGO-BBRMVZONSA-N 2 0 264.388 2.906 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000342703845 381490467 /nfs/dbraw/zinc/49/04/67/381490467.db2.gz QRCTUFYYWBNACW-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000359591961 381492859 /nfs/dbraw/zinc/49/28/59/381492859.db2.gz MTBRQQBDBRJGLQ-SWLSCSKDSA-N 2 0 266.816 2.812 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000370730835 381499144 /nfs/dbraw/zinc/49/91/44/381499144.db2.gz QWSIOOCYNDZFSU-RBSFLKMASA-N 2 0 250.430 2.885 20 0 CFADRP COCC[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371107736 381549464 /nfs/dbraw/zinc/54/94/64/381549464.db2.gz PGJZJEAZWGATKF-KRWDZBQOSA-N 2 0 276.424 2.619 20 0 CFADRP CCn1cc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000297514046 381563380 /nfs/dbraw/zinc/56/33/80/381563380.db2.gz WCEYOLZNNCEXOE-AWEZNQCLSA-N 2 0 299.422 2.618 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cn1 ZINC000342818355 381565320 /nfs/dbraw/zinc/56/53/20/381565320.db2.gz NVXKTYABSJCPOP-DLBZAZTESA-N 2 0 274.408 2.966 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414202966 381571430 /nfs/dbraw/zinc/57/14/30/381571430.db2.gz ZQIPDYRCCUWCEA-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000297796784 381571630 /nfs/dbraw/zinc/57/16/30/381571630.db2.gz XCPBQVRAKGRNJZ-MRXNPFEDSA-N 2 0 291.439 2.701 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414693610 381599378 /nfs/dbraw/zinc/59/93/78/381599378.db2.gz CMEKPIBXPDQOJI-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414710209 381600443 /nfs/dbraw/zinc/60/04/43/381600443.db2.gz PSBIFKYHXPDMQA-FSZRXZPDSA-N 2 0 288.435 2.699 20 0 CFADRP C[N@H+](C1CC([NH3+])C1)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414764769 381604798 /nfs/dbraw/zinc/60/47/98/381604798.db2.gz ATEHSIDUDGOCFB-XGHPGWEVSA-N 2 0 258.409 2.918 20 0 CFADRP C[N@H+](C1CC([NH3+])C1)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414764768 381605036 /nfs/dbraw/zinc/60/50/36/381605036.db2.gz ATEHSIDUDGOCFB-ODZFXCKXSA-N 2 0 258.409 2.918 20 0 CFADRP C(C1CCCCC1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783247 381605691 /nfs/dbraw/zinc/60/56/91/381605691.db2.gz PRTLPUKDXCUHIC-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414684252 381597454 /nfs/dbraw/zinc/59/74/54/381597454.db2.gz VCCMFNPUKLCIDA-KEYYUXOJSA-N 2 0 258.409 2.994 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000414836947 381608189 /nfs/dbraw/zinc/60/81/89/381608189.db2.gz JWBMIKBQNBYKBP-PBHICJAKSA-N 2 0 258.409 2.523 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCC3)CC2)C1 ZINC000414876977 381609021 /nfs/dbraw/zinc/60/90/21/381609021.db2.gz MCZJWTVQIVGPNS-GDBMZVCRSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882103 381609149 /nfs/dbraw/zinc/60/91/49/381609149.db2.gz BNMVKLRBESWZQC-QMTHXVAHSA-N 2 0 286.341 2.963 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414897356 381612135 /nfs/dbraw/zinc/61/21/35/381612135.db2.gz DTJMGTSGLSCQEJ-GJZGRUSLSA-N 2 0 250.430 2.935 20 0 CFADRP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000371393280 381612420 /nfs/dbraw/zinc/61/24/20/381612420.db2.gz NJXSKUAQVABPLJ-YHUYYLMFSA-N 2 0 268.445 2.512 20 0 CFADRP CC1([NH2+]Cc2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000414938395 381629260 /nfs/dbraw/zinc/62/92/60/381629260.db2.gz IPDIFYKDGHPYON-UHFFFAOYSA-N 2 0 270.323 2.520 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000414943643 381634190 /nfs/dbraw/zinc/63/41/90/381634190.db2.gz FQSKKMYBRPHSIW-AAEUAGOBSA-N 2 0 297.240 2.988 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000414941981 381634255 /nfs/dbraw/zinc/63/42/55/381634255.db2.gz DEKNQWDCEMHNJU-WISYIIOYSA-N 2 0 264.335 2.838 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414944317 381635664 /nfs/dbraw/zinc/63/56/64/381635664.db2.gz PPBPWSXJBMVLHQ-GUYCJALGSA-N 2 0 274.408 2.563 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000414944646 381635956 /nfs/dbraw/zinc/63/59/56/381635956.db2.gz HGFVQHJUNMSSKY-GUTXKFCHSA-N 2 0 294.414 2.743 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414944316 381636645 /nfs/dbraw/zinc/63/66/45/381636645.db2.gz GPBUQYXWWBZCOW-SCRDCRAPSA-N 2 0 252.427 2.799 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000414948106 381637956 /nfs/dbraw/zinc/63/79/56/381637956.db2.gz XOPAIJOIJXQJIV-CLCXKQKWSA-N 2 0 297.446 2.817 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414947387 381638092 /nfs/dbraw/zinc/63/80/92/381638092.db2.gz KTMYFHCELCNELX-DGCLKSJQSA-N 2 0 250.411 2.639 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000414941258 381631877 /nfs/dbraw/zinc/63/18/77/381631877.db2.gz LHMCKONXYPFOQK-XHDPSFHLSA-N 2 0 284.806 2.999 20 0 CFADRP CC1([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000414943942 381633638 /nfs/dbraw/zinc/63/36/38/381633638.db2.gz OPVFEYILZIPPOB-UHFFFAOYSA-N 2 0 288.313 2.817 20 0 CFADRP CC[NH2+][C@H](C)CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414955219 381647875 /nfs/dbraw/zinc/64/78/75/381647875.db2.gz LZQPAELZLQPABJ-MRXNPFEDSA-N 2 0 291.483 2.732 20 0 CFADRP CN(C[C@H]1CCC[N@@H+]1CCCn1ccnc1)c1ccccc1 ZINC000371478261 381638737 /nfs/dbraw/zinc/63/87/37/381638737.db2.gz VGABFVNDHBSIOX-GOSISDBHSA-N 2 0 298.434 2.874 20 0 CFADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414949608 381640759 /nfs/dbraw/zinc/64/07/59/381640759.db2.gz FBUKADQPFYTAGY-RYRKJORJSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414950741 381641631 /nfs/dbraw/zinc/64/16/31/381641631.db2.gz GLWHPVGWTIWSEU-GXFFZTMASA-N 2 0 288.313 2.673 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371519065 381650325 /nfs/dbraw/zinc/65/03/25/381650325.db2.gz JXUUKRGOHSJZAR-ZACQAIPSSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414950912 381643445 /nfs/dbraw/zinc/64/34/45/381643445.db2.gz PENCDFHJCSCWQC-AHCXZYCDSA-N 2 0 293.499 2.760 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414959081 381654805 /nfs/dbraw/zinc/65/48/05/381654805.db2.gz PKCOTQZYEWQLQG-DYVFJYSZSA-N 2 0 284.403 2.936 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000414960780 381656945 /nfs/dbraw/zinc/65/69/45/381656945.db2.gz ARLLEEYDWDUBNU-HUUCEWRRSA-N 2 0 278.444 2.517 20 0 CFADRP FC(F)Oc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414963935 381659980 /nfs/dbraw/zinc/65/99/80/381659980.db2.gz DNEVKCWLSZXZCY-CYBMUJFWSA-N 2 0 284.350 2.910 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000414968568 381666064 /nfs/dbraw/zinc/66/60/64/381666064.db2.gz INOLJEBZJHASFG-INIZCTEOSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414969984 381666079 /nfs/dbraw/zinc/66/60/79/381666079.db2.gz ZRILSPDWCOTNSX-MFKMUULPSA-N 2 0 288.313 2.673 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC3CC3)CC2)C[C@H](C)O1 ZINC000359900470 381667368 /nfs/dbraw/zinc/66/73/68/381667368.db2.gz NRJXLYZMWHHMAR-IYBDPMFKSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(C2CCC2)C1 ZINC000348702153 381674281 /nfs/dbraw/zinc/67/42/81/381674281.db2.gz DVXJLSFYSBOLPC-UHFFFAOYSA-N 2 0 282.391 2.808 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976016 381671365 /nfs/dbraw/zinc/67/13/65/381671365.db2.gz PJPDPZKCNNCOCS-LBPRGKRZSA-N 2 0 282.815 2.970 20 0 CFADRP CN1CC[C@H]([NH2+]CCc2ccccn2)[C@@H]1c1ccccc1 ZINC000298555610 381671705 /nfs/dbraw/zinc/67/17/05/381671705.db2.gz OSDLSTYJOFBJPU-ROUUACIJSA-N 2 0 281.403 2.659 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414958022 381652495 /nfs/dbraw/zinc/65/24/95/381652495.db2.gz CPVVXEWAWFYPEE-MNOVXSKESA-N 2 0 252.324 2.839 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1Br ZINC000414960235 381653269 /nfs/dbraw/zinc/65/32/69/381653269.db2.gz XZNZKLVNWFMSEG-YPMHNXCESA-N 2 0 297.240 2.988 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000415015994 381709703 /nfs/dbraw/zinc/70/97/03/381709703.db2.gz ORXGPLFVHUBLCC-LBPRGKRZSA-N 2 0 290.386 2.823 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ncccc12 ZINC000415015046 381710120 /nfs/dbraw/zinc/71/01/20/381710120.db2.gz XUFWJVFQXUWDSU-DOTOQJQBSA-N 2 0 299.393 2.852 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000291219525 381711448 /nfs/dbraw/zinc/71/14/48/381711448.db2.gz NIFWBDAKEYSYGY-CZUORRHYSA-N 2 0 274.408 2.701 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415016788 381711753 /nfs/dbraw/zinc/71/17/53/381711753.db2.gz CZDPMOBDOLUONA-JTQLQIEISA-N 2 0 256.777 2.566 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000415017110 381711806 /nfs/dbraw/zinc/71/18/06/381711806.db2.gz DTKMKPHUYPGOGD-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415018063 381711926 /nfs/dbraw/zinc/71/19/26/381711926.db2.gz GFWHSLHIDBPGJY-KBPBESRZSA-N 2 0 264.413 2.733 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(-c2ccnn2C)c1 ZINC000415018931 381713059 /nfs/dbraw/zinc/71/30/59/381713059.db2.gz HMIAXBQQWJQWOG-CQSZACIVSA-N 2 0 286.423 2.613 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000415019009 381713376 /nfs/dbraw/zinc/71/33/76/381713376.db2.gz VGTHWVBTSYYALC-LLVKDONJSA-N 2 0 255.431 2.874 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000415019027 381713559 /nfs/dbraw/zinc/71/35/59/381713559.db2.gz VITVYDMBZVENFN-SECBINFHSA-N 2 0 260.303 2.711 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000415019063 381713985 /nfs/dbraw/zinc/71/39/85/381713985.db2.gz VMTHFOZZTMDBSO-CYBMUJFWSA-N 2 0 290.386 2.619 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(F)c2cccnc12 ZINC000415021297 381715418 /nfs/dbraw/zinc/71/54/18/381715418.db2.gz YGANVOMHUPUDAH-GFCCVEGCSA-N 2 0 275.371 2.981 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414981534 381674988 /nfs/dbraw/zinc/67/49/88/381674988.db2.gz XZFXEGVWTNIQAQ-MRXNPFEDSA-N 2 0 287.382 2.996 20 0 CFADRP CC[C@@H]([NH3+])CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414981397 381675157 /nfs/dbraw/zinc/67/51/57/381675157.db2.gz BPMNCNQOGWYJKR-CQSZACIVSA-N 2 0 295.858 2.631 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414980638 381675511 /nfs/dbraw/zinc/67/55/11/381675511.db2.gz AQPLLCKUBDZMTF-NWDGAFQWSA-N 2 0 297.830 2.692 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000414987329 381681801 /nfs/dbraw/zinc/68/18/01/381681801.db2.gz DMVDZUVNFAJONF-TZMCWYRMSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000415022398 381716431 /nfs/dbraw/zinc/71/64/31/381716431.db2.gz LPNSNZQIVOPVEH-OAHLLOKOSA-N 2 0 299.418 2.878 20 0 CFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355217508 381684547 /nfs/dbraw/zinc/68/45/47/381684547.db2.gz WZQIQQSLUVTRTI-OKZBNKHCSA-N 2 0 288.435 2.679 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+]CCCCCOc1ccccc1 ZINC000414995597 381687615 /nfs/dbraw/zinc/68/76/15/381687615.db2.gz WGNADKAADGKKDL-CQSZACIVSA-N 2 0 250.386 2.563 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414994114 381687694 /nfs/dbraw/zinc/68/76/94/381687694.db2.gz DCFXHFQCEZMQKD-DLBZAZTESA-N 2 0 258.409 2.727 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000414996446 381688696 /nfs/dbraw/zinc/68/86/96/381688696.db2.gz GIHGFTQYCFDELS-HOTGVXAUSA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000414996441 381688883 /nfs/dbraw/zinc/68/88/83/381688883.db2.gz GIHGFTQYCFDELS-CVEARBPZSA-N 2 0 287.451 2.763 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000414997014 381689986 /nfs/dbraw/zinc/68/99/86/381689986.db2.gz GZSFTEKMLYTUTA-RBSFLKMASA-N 2 0 278.444 2.502 20 0 CFADRP CC(C)c1ncc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414998988 381691858 /nfs/dbraw/zinc/69/18/58/381691858.db2.gz RJDPRWHJHLFXGR-VXGBXAGGSA-N 2 0 267.442 2.874 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000415003421 381696684 /nfs/dbraw/zinc/69/66/84/381696684.db2.gz GAFLFWDRPQSDAF-SWLSCSKDSA-N 2 0 282.790 2.957 20 0 CFADRP COC1(C[NH2+]CCN2CCC[C@H](C)C2)CCCCC1 ZINC000359955692 381697660 /nfs/dbraw/zinc/69/76/60/381697660.db2.gz ACDMRQDPWRCKSH-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415005137 381698128 /nfs/dbraw/zinc/69/81/28/381698128.db2.gz YZMMLPSEVXLMHI-QWHCGFSZSA-N 2 0 284.350 2.895 20 0 CFADRP CC(C)c1nccn1[C@H]1CCCN(Cc2ccon2)C1 ZINC000371769163 381698460 /nfs/dbraw/zinc/69/84/60/381698460.db2.gz GXTNQYJLQZYSQO-AWEZNQCLSA-N 2 0 274.368 2.832 20 0 CFADRP CCCn1nc(C)c(C[NH2+][C@@H](C)CCCC[NH3+])c1C ZINC000415009251 381703176 /nfs/dbraw/zinc/70/31/76/381703176.db2.gz FCYXRDQJORFHKZ-LBPRGKRZSA-N 2 0 266.433 2.517 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415009060 381703200 /nfs/dbraw/zinc/70/32/00/381703200.db2.gz FHVDAMHFMHTBMQ-TUAOUCFPSA-N 2 0 297.830 2.691 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000415009891 381705179 /nfs/dbraw/zinc/70/51/79/381705179.db2.gz ONFJILPKWILIJF-OKZBNKHCSA-N 2 0 270.420 2.522 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343436698 381707805 /nfs/dbraw/zinc/70/78/05/381707805.db2.gz CBULAHFEDWRGAP-MRXNPFEDSA-N 2 0 277.387 2.603 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415040252 381728431 /nfs/dbraw/zinc/72/84/31/381728431.db2.gz OUIJVXDABDCNKJ-PWSUYJOCSA-N 2 0 270.323 2.505 20 0 CFADRP c1ccc(OCCCCC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415072805 381758471 /nfs/dbraw/zinc/75/84/71/381758471.db2.gz MWOZHPDONCICSO-MRXNPFEDSA-N 2 0 276.424 2.967 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000360023057 381732401 /nfs/dbraw/zinc/73/24/01/381732401.db2.gz QXVBAYSJWSITRP-DZGCQCFKSA-N 2 0 275.421 2.859 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415048731 381735097 /nfs/dbraw/zinc/73/50/97/381735097.db2.gz XGVKJQJGIBGYHJ-ZFWWWQNUSA-N 2 0 262.397 2.691 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415055274 381741246 /nfs/dbraw/zinc/74/12/46/381741246.db2.gz OABOYCDATSWBNH-RDTXWAMCSA-N 2 0 298.434 2.802 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415056109 381742576 /nfs/dbraw/zinc/74/25/76/381742576.db2.gz PVFVQUZSJLPEFH-RDTXWAMCSA-N 2 0 298.434 2.802 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057118 381743330 /nfs/dbraw/zinc/74/33/30/381743330.db2.gz QWECDNZDJCJPJV-GTPINHCMSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000415058234 381744469 /nfs/dbraw/zinc/74/44/69/381744469.db2.gz UXUPMXJRXBZRFF-IAQYHMDHSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000415058832 381745025 /nfs/dbraw/zinc/74/50/25/381745025.db2.gz INPOCGBODZAIBC-CYBMUJFWSA-N 2 0 279.403 2.643 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415059379 381745631 /nfs/dbraw/zinc/74/56/31/381745631.db2.gz WUFGLQIWNNZGJI-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000360042581 381746646 /nfs/dbraw/zinc/74/66/46/381746646.db2.gz XIOCRTAIKCUKAP-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CCCOc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OC ZINC000415063867 381748654 /nfs/dbraw/zinc/74/86/54/381748654.db2.gz PPBDLYBDUQUYSR-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC[NH2+]C1CC1 ZINC000415064029 381749712 /nfs/dbraw/zinc/74/97/12/381749712.db2.gz BKJNJXLOFWXQGC-CYBMUJFWSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCCC[NH2+]C3CC3)CC2)C1 ZINC000415064520 381749831 /nfs/dbraw/zinc/74/98/31/381749831.db2.gz CTQARENILJUNPD-YJBOKZPZSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348874011 381750842 /nfs/dbraw/zinc/75/08/42/381750842.db2.gz GYNWGKITUMUWSG-QTXGHNMQSA-N 2 0 294.483 2.996 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCC[NH2+]C3CC3)ccc2n1 ZINC000415065145 381751840 /nfs/dbraw/zinc/75/18/40/381751840.db2.gz FNBXIIDYXORUOH-UHFFFAOYSA-N 2 0 269.392 2.775 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415069578 381753633 /nfs/dbraw/zinc/75/36/33/381753633.db2.gz PCQHIEMRAPYXLH-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H]([NH2+]CCc1ccccn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298826603 381757387 /nfs/dbraw/zinc/75/73/87/381757387.db2.gz GQCDZSAHHHWPBN-CVEARBPZSA-N 2 0 287.451 2.867 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@@H](C)CCC[NH3+])O[C@H](C)C2 ZINC000415025968 381718436 /nfs/dbraw/zinc/71/84/36/381718436.db2.gz SHDCVUMMTJEEHM-QWHCGFSZSA-N 2 0 292.423 2.626 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415030333 381721275 /nfs/dbraw/zinc/72/12/75/381721275.db2.gz FQIGWZXKZJQZBB-QWHCGFSZSA-N 2 0 258.365 2.958 20 0 CFADRP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029734 381721908 /nfs/dbraw/zinc/72/19/08/381721908.db2.gz BIYCNMMUJGSIIX-ZWKOTPCHSA-N 2 0 290.451 2.756 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038517 381726961 /nfs/dbraw/zinc/72/69/61/381726961.db2.gz HWLPPFIHYQIOSU-IAGOWNOFSA-N 2 0 258.409 2.959 20 0 CFADRP CCCC[C@@H](CC)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000348974463 381781411 /nfs/dbraw/zinc/78/14/11/381781411.db2.gz LPRYNKQAPXGZGQ-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415102281 381782998 /nfs/dbraw/zinc/78/29/98/381782998.db2.gz IOPRMFVOIRCQAQ-OCCSQVGLSA-N 2 0 264.438 2.886 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415103274 381783478 /nfs/dbraw/zinc/78/34/78/381783478.db2.gz DAGYBOUTUXXVHX-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000415111283 381787109 /nfs/dbraw/zinc/78/71/09/381787109.db2.gz UHJQULRCFKCAKG-CABCVRRESA-N 2 0 270.461 2.527 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2cnccc2C(C)(C)C)CC[NH2+]1 ZINC000415119364 381790134 /nfs/dbraw/zinc/79/01/34/381790134.db2.gz HSTRSBHZYZEVSZ-KBPBESRZSA-N 2 0 275.440 2.857 20 0 CFADRP CC[N@H+](Cc1cncn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000349014280 381793173 /nfs/dbraw/zinc/79/31/73/381793173.db2.gz WMXAJFXRMTVNDA-UHFFFAOYSA-N 2 0 286.423 2.504 20 0 CFADRP C[C@H]1CC[N@H+](CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000415122752 381795093 /nfs/dbraw/zinc/79/50/93/381795093.db2.gz IPHRNJVAPKDGPR-JKSUJKDBSA-N 2 0 276.424 2.762 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H]1CC=CCC1 ZINC000349022683 381795709 /nfs/dbraw/zinc/79/57/09/381795709.db2.gz DFXVMMOMXBJZNA-QZTJIDSGSA-N 2 0 293.499 2.691 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C[C@@H]1C[NH3+] ZINC000415127845 381796501 /nfs/dbraw/zinc/79/65/01/381796501.db2.gz NIIFYWYTHVUJAO-YOEHRIQHSA-N 2 0 288.435 2.892 20 0 CFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415074730 381760944 /nfs/dbraw/zinc/76/09/44/381760944.db2.gz AQWUFWJHOJVVBF-OAGGEKHMSA-N 2 0 298.434 2.547 20 0 CFADRP COc1cccc(CCC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415075033 381761336 /nfs/dbraw/zinc/76/13/36/381761336.db2.gz DSAVMCJJWLZFCR-GDBMZVCRSA-N 2 0 276.424 2.606 20 0 CFADRP COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423090053 284919673 /nfs/dbraw/zinc/91/96/73/284919673.db2.gz WPSBGDKDFJHBCP-RYQLBKOJSA-N 2 0 290.451 2.754 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCOc1cccc(Cl)c1 ZINC000415079135 381765965 /nfs/dbraw/zinc/76/59/65/381765965.db2.gz HIIARNAPLUAYAE-TZMCWYRMSA-N 2 0 282.815 2.839 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415082576 381767476 /nfs/dbraw/zinc/76/74/76/381767476.db2.gz LZOHRESMXRAPRH-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP CC[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000415081710 381767580 /nfs/dbraw/zinc/76/75/80/381767580.db2.gz NFATYFJFQAZDSN-HZPDHXFCSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000415083293 381768160 /nfs/dbraw/zinc/76/81/60/381768160.db2.gz MWGGNTLFKGCWDY-QWRGUYRKSA-N 2 0 272.845 2.922 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(C)CC1 ZINC000355425753 381769560 /nfs/dbraw/zinc/76/95/60/381769560.db2.gz PMSNSNSFYZYHOK-YZUHTNEWSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415083914 381769693 /nfs/dbraw/zinc/76/96/93/381769693.db2.gz OCLCNKOBRIGNET-ZACQAIPSSA-N 2 0 288.435 2.884 20 0 CFADRP c1ccc2cc(OCC[NH2+]C3CC[NH2+]CC3)ccc2c1 ZINC000415086878 381772746 /nfs/dbraw/zinc/77/27/46/381772746.db2.gz SAXMGWQPTLVDHL-UHFFFAOYSA-N 2 0 270.376 2.560 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415087527 381773716 /nfs/dbraw/zinc/77/37/16/381773716.db2.gz UVYHKUKGLHNZMZ-MAUKXSAKSA-N 2 0 298.434 2.552 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415087525 381773872 /nfs/dbraw/zinc/77/38/72/381773872.db2.gz UVYHKUKGLHNZMZ-CRAIPNDOSA-N 2 0 298.434 2.552 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000415089760 381775321 /nfs/dbraw/zinc/77/53/21/381775321.db2.gz WXNWSPNQYKRQFC-QWRGUYRKSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)Cc1cccs1 ZINC000415090364 381776715 /nfs/dbraw/zinc/77/67/15/381776715.db2.gz ZCQAPACAXLVSHS-BFHYXJOUSA-N 2 0 266.454 2.904 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1C[NH3+] ZINC000415129777 381799886 /nfs/dbraw/zinc/79/98/86/381799886.db2.gz PRLOUNLHXZCDHJ-RHSMWYFYSA-N 2 0 288.435 2.892 20 0 CFADRP CC(C)(C)CCN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415130934 381799910 /nfs/dbraw/zinc/79/99/10/381799910.db2.gz XZMLGHSOVRIJGX-DZGCQCFKSA-N 2 0 264.388 2.988 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415091017 381777260 /nfs/dbraw/zinc/77/72/60/381777260.db2.gz YNWWOTLCXVCKKT-AGIUHOORSA-N 2 0 280.387 2.873 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000415091995 381777825 /nfs/dbraw/zinc/77/78/25/381777825.db2.gz RQHIACDITMTWFN-TZMCWYRMSA-N 2 0 280.387 2.702 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1nc(C2CCCCC2)no1 ZINC000415094020 381779600 /nfs/dbraw/zinc/77/96/00/381779600.db2.gz DEGZOSOKMIFJBO-LBPRGKRZSA-N 2 0 292.427 2.768 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000361372854 381824454 /nfs/dbraw/zinc/82/44/54/381824454.db2.gz ABDYQEVZDLUUIG-XMTFNYHQSA-N 2 0 294.483 2.876 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+]CC1(SC)CCC1 ZINC000356290389 381839696 /nfs/dbraw/zinc/83/96/96/381839696.db2.gz BIGRBSFRXNAMNM-ZDUSSCGKSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCOc3ccccc32)CCN1C ZINC000372399172 381806474 /nfs/dbraw/zinc/80/64/74/381806474.db2.gz CXIYNFUMVMNZDI-BZUAXINKSA-N 2 0 288.435 2.967 20 0 CFADRP OCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000372419862 381813059 /nfs/dbraw/zinc/81/30/59/381813059.db2.gz FIZXXSAJZPKPPA-YOEHRIQHSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000186346456 381887198 /nfs/dbraw/zinc/88/71/98/381887198.db2.gz UXSYLFQMQISSRH-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343677194 381883688 /nfs/dbraw/zinc/88/36/88/381883688.db2.gz CRGKBBWFTBFXHH-DZKIICNBSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000343618615 381845888 /nfs/dbraw/zinc/84/58/88/381845888.db2.gz TZQREZDIWBQNDW-WGGGBPLMSA-N 2 0 268.445 2.508 20 0 CFADRP CCc1cnc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349199122 381846158 /nfs/dbraw/zinc/84/61/58/381846158.db2.gz YKPMKCZBSMYWML-AWEZNQCLSA-N 2 0 293.480 2.869 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000349217291 381852145 /nfs/dbraw/zinc/85/21/45/381852145.db2.gz MKWGFTOBUBLUOS-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP CCCC[C@H](CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349317691 381886285 /nfs/dbraw/zinc/88/62/85/381886285.db2.gz ANUMIEWQPOTWBO-HOTGVXAUSA-N 2 0 269.477 2.571 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000356834116 381868630 /nfs/dbraw/zinc/86/86/30/381868630.db2.gz FWTDLCQPEOSWFP-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000356847057 381868848 /nfs/dbraw/zinc/86/88/48/381868848.db2.gz NSQHINPTNZJRIB-UHFFFAOYSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000356837035 381868980 /nfs/dbraw/zinc/86/89/80/381868980.db2.gz HMFJXIBZOMSZBO-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356848860 381869138 /nfs/dbraw/zinc/86/91/38/381869138.db2.gz PEEBUBDKDLGWLF-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000356845328 381869229 /nfs/dbraw/zinc/86/92/29/381869229.db2.gz MWFQMPKHAIPCJD-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000186423123 381907604 /nfs/dbraw/zinc/90/76/04/381907604.db2.gz ONUFHOMVJMPEGS-JLSDUUJJSA-N 2 0 294.483 2.923 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1ccc(C)c(OC)c1 ZINC000349384955 381920628 /nfs/dbraw/zinc/92/06/28/381920628.db2.gz QMXONPKGVXDJKN-UHFFFAOYSA-N 2 0 264.413 2.777 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](CC)CCC[NH+]2CCCC2)CCO1 ZINC000349387817 381922605 /nfs/dbraw/zinc/92/26/05/381922605.db2.gz WVGYXZJFKLLIJR-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP FC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000292972861 381928571 /nfs/dbraw/zinc/92/85/71/381928571.db2.gz GPMYYGSUOSNBQW-HNNXBMFYSA-N 2 0 259.328 2.806 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000372926449 381892639 /nfs/dbraw/zinc/89/26/39/381892639.db2.gz JJCGYBVOSAPZEH-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP COc1cc2c(N[C@@H](C)C[NH+](C)C)cc[nH+]c2cc1F ZINC000343809380 381955717 /nfs/dbraw/zinc/95/57/17/381955717.db2.gz RHVXDHLUXMBDSI-JTQLQIEISA-N 2 0 277.343 2.745 20 0 CFADRP [NH3+]CCOCC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000357027070 381973091 /nfs/dbraw/zinc/97/30/91/381973091.db2.gz JICNCOUOPYJFTH-UHFFFAOYSA-N 2 0 298.430 2.707 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000186592017 381958263 /nfs/dbraw/zinc/95/82/63/381958263.db2.gz MVHGJCFKUQDVLN-GJZGRUSLSA-N 2 0 293.430 2.502 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186605241 381962289 /nfs/dbraw/zinc/96/22/89/381962289.db2.gz OEPJMIDOZAEYLC-UKRRQHHQSA-N 2 0 295.496 2.733 20 0 CFADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1nc3ccccc3o1)C2 ZINC000373203516 381946933 /nfs/dbraw/zinc/94/69/33/381946933.db2.gz QESRFIMYUDMNNY-QWHCGFSZSA-N 2 0 296.374 2.998 20 0 CFADRP C=Cn1cc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000373202281 381947267 /nfs/dbraw/zinc/94/72/67/381947267.db2.gz HOOULBGEYVELJQ-MSOLQXFVSA-N 2 0 296.418 2.766 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000357000379 381953301 /nfs/dbraw/zinc/95/33/01/381953301.db2.gz VTUWOXPSAFTMME-RCCFBDPRSA-N 2 0 294.483 2.855 20 0 CFADRP CC(C)([NH2+]CCOCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000357104471 382009654 /nfs/dbraw/zinc/00/96/54/382009654.db2.gz MFAUFEPSEDGCCE-UHFFFAOYSA-N 2 0 291.222 2.793 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1c(C)cccc1C ZINC000350261164 382010130 /nfs/dbraw/zinc/01/01/30/382010130.db2.gz FPUHJQYWNJJDAA-UHFFFAOYSA-N 2 0 278.440 2.751 20 0 CFADRP CSCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186776206 382010319 /nfs/dbraw/zinc/01/03/19/382010319.db2.gz HBPOGHBWRHUNDG-ZIAGYGMSSA-N 2 0 256.459 2.736 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000350265981 382010222 /nfs/dbraw/zinc/01/02/22/382010222.db2.gz LXHKIVZWZVMNAF-CVEARBPZSA-N 2 0 270.461 2.761 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccccc1Cl ZINC000350349211 382011679 /nfs/dbraw/zinc/01/16/79/382011679.db2.gz CFIMYWSGWGFYGV-UHFFFAOYSA-N 2 0 284.831 2.788 20 0 CFADRP [NH3+]CCOCC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000357034025 381980375 /nfs/dbraw/zinc/98/03/75/381980375.db2.gz UUWSXFLSUGEITO-UHFFFAOYSA-N 2 0 284.403 2.780 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000186789051 382015372 /nfs/dbraw/zinc/01/53/72/382015372.db2.gz LDPHHHRJJALKSA-BZZMCLGOSA-N 2 0 294.483 2.923 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000417332469 382043582 /nfs/dbraw/zinc/04/35/82/382043582.db2.gz NXCDFIVQKPHYFZ-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000374783087 382055760 /nfs/dbraw/zinc/05/57/60/382055760.db2.gz YRCYUGREYJLBKS-RBSFLKMASA-N 2 0 282.497 2.934 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343930701 382026802 /nfs/dbraw/zinc/02/68/02/382026802.db2.gz MGXGYZGOJYKAHY-GDBMZVCRSA-N 2 0 291.439 2.690 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1(CC)CC ZINC000344017766 382070410 /nfs/dbraw/zinc/07/04/10/382070410.db2.gz LDBQSXRGDKYYOD-QLFBSQMISA-N 2 0 270.461 2.900 20 0 CFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000343948374 382033911 /nfs/dbraw/zinc/03/39/11/382033911.db2.gz YBYLGFPJYBHKRC-MRXNPFEDSA-N 2 0 291.439 2.690 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H]1CCCCO1)CC2)C1CC1 ZINC000374284842 382040987 /nfs/dbraw/zinc/04/09/87/382040987.db2.gz BABDIYSVBUKYPT-WBVHZDCISA-N 2 0 292.467 2.752 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCCC[NH+](C)C)C[C@H]1OC ZINC000344071702 382108124 /nfs/dbraw/zinc/10/81/24/382108124.db2.gz KKMYORRKZPJODH-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c(C)c1Cl ZINC000357335020 382115841 /nfs/dbraw/zinc/11/58/41/382115841.db2.gz JTDWSIIRYCYNGG-LBPRGKRZSA-N 2 0 267.804 2.752 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000344082319 382116100 /nfs/dbraw/zinc/11/61/00/382116100.db2.gz OVMDGDZXZXLPNN-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000344085220 382118626 /nfs/dbraw/zinc/11/86/26/382118626.db2.gz PIPUGSRZTWGNFG-DJIMGWMZSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240457 382072141 /nfs/dbraw/zinc/07/21/41/382072141.db2.gz UOWAWJLAWSQMKU-KBAYOESNSA-N 2 0 290.451 2.648 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC(C(C)C)C(C)C)C2)CC1 ZINC000375302657 382079114 /nfs/dbraw/zinc/07/91/14/382079114.db2.gz MMNNIXVJRRWOCG-KRWDZBQOSA-N 2 0 295.515 2.626 20 0 CFADRP CCC(CC)[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000344032251 382081216 /nfs/dbraw/zinc/08/12/16/382081216.db2.gz PSUNKOVHWRQIJV-UHFFFAOYSA-N 2 0 283.504 2.913 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCCF)C[C@H]1n1ccnc1 ZINC000375373286 382084698 /nfs/dbraw/zinc/08/46/98/382084698.db2.gz KZAGLHDSWPDKBB-ZIAGYGMSSA-N 2 0 253.365 2.906 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C[NH+](C)C ZINC000293335976 382085151 /nfs/dbraw/zinc/08/51/51/382085151.db2.gz GHSBQQDSNUAUEM-NHYWBVRUSA-N 2 0 250.361 2.600 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357376105 382140445 /nfs/dbraw/zinc/14/04/45/382140445.db2.gz OQNFLTTXNHTAES-INIZCTEOSA-N 2 0 297.487 2.619 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccccc1 ZINC000344124868 382144392 /nfs/dbraw/zinc/14/43/92/382144392.db2.gz HNFJHKILPBCAOI-UHFFFAOYSA-N 2 0 292.386 2.908 20 0 CFADRP C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCO[C@H]12 ZINC000187274456 382145166 /nfs/dbraw/zinc/14/51/66/382145166.db2.gz NUSBMGKDQFVLLR-KZNAEPCWSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000344128954 382146912 /nfs/dbraw/zinc/14/69/12/382146912.db2.gz JVORGDNKGHCLPH-GJVDQKBNSA-N 2 0 280.456 2.510 20 0 CFADRP CCc1cc(NCCC[NH+]2CCC(C)CC2)nc(C)n1 ZINC000301332818 382151521 /nfs/dbraw/zinc/15/15/21/382151521.db2.gz FHIWSOAZQHFFLG-UHFFFAOYSA-N 2 0 276.428 2.881 20 0 CFADRP Cc1nccn1CCCC[N@H+](CCO)CC1CCCCC1 ZINC000362586408 382161325 /nfs/dbraw/zinc/16/13/25/382161325.db2.gz GWWBEHRKMLIFDQ-UHFFFAOYSA-N 2 0 293.455 2.846 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C2CC2)C1 ZINC000344152862 382162725 /nfs/dbraw/zinc/16/27/25/382162725.db2.gz XCAIWLUPPCMTDO-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000344211721 382201896 /nfs/dbraw/zinc/20/18/96/382201896.db2.gz DVOKEFZKPDFFSR-MHABSNSOSA-N 2 0 258.409 2.646 20 0 CFADRP CCC1(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)COC1 ZINC000344212716 382202561 /nfs/dbraw/zinc/20/25/61/382202561.db2.gz MKNDEVUOLOWNOC-WBVHZDCISA-N 2 0 288.435 2.838 20 0 CFADRP CC[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302058801 382204857 /nfs/dbraw/zinc/20/48/57/382204857.db2.gz BOZNEQHIQJXTTE-UHFFFAOYSA-N 2 0 269.392 2.994 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](OC)[C@@H](C)CC)CC1 ZINC000362977088 382223704 /nfs/dbraw/zinc/22/37/04/382223704.db2.gz ONAAIGINOVQEHM-ZFWWWQNUSA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@H](CC(C)C)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000419180806 382235719 /nfs/dbraw/zinc/23/57/19/382235719.db2.gz APYHLSWZFDYBGO-MRXNPFEDSA-N 2 0 270.461 2.852 20 0 CFADRP Cc1cc(NC[C@H]2CCCC[N@H+]2CC(C)C)cc[nH+]1 ZINC000357687362 382278266 /nfs/dbraw/zinc/27/82/66/382278266.db2.gz VVDFCTYTPFYCRI-MRXNPFEDSA-N 2 0 261.413 2.734 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OC2CCC2)CC1 ZINC000419310042 382280383 /nfs/dbraw/zinc/28/03/83/382280383.db2.gz WWYFKCXAMXVBIE-CQSZACIVSA-N 2 0 266.429 2.504 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000419213019 382245448 /nfs/dbraw/zinc/24/54/48/382245448.db2.gz HZCGBDNSFBMWCJ-DLBZAZTESA-N 2 0 282.472 2.711 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000419213020 382245473 /nfs/dbraw/zinc/24/54/73/382245473.db2.gz HZCGBDNSFBMWCJ-IAGOWNOFSA-N 2 0 282.472 2.711 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000363861013 382250122 /nfs/dbraw/zinc/25/01/22/382250122.db2.gz MCYYTYMVHVAAEO-RDJZCZTQSA-N 2 0 294.483 2.782 20 0 CFADRP CCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000187707869 382252783 /nfs/dbraw/zinc/25/27/83/382252783.db2.gz IXAGDZKYGLJXLF-GDBMZVCRSA-N 2 0 295.496 2.815 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000187707814 382253142 /nfs/dbraw/zinc/25/31/42/382253142.db2.gz IXAGDZKYGLJXLF-HOCLYGCPSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccc1F)C1CC[NH+](C)CC1 ZINC000680353763 542311165 /nfs/dbraw/zinc/31/11/65/542311165.db2.gz NIKVIWPDCGXQLC-AWEZNQCLSA-N 2 0 293.430 2.948 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1F)C[NH+](C)C ZINC000293749621 382262933 /nfs/dbraw/zinc/26/29/33/382262933.db2.gz RGIQVHVLHHGGNV-STQMWFEESA-N 2 0 252.377 2.544 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCCCCC2)CC1 ZINC000344631267 382270377 /nfs/dbraw/zinc/27/03/77/382270377.db2.gz PZXVLPRNCOXIHI-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000345219517 382291638 /nfs/dbraw/zinc/29/16/38/382291638.db2.gz PZIZOPCRIAHSNK-HZMVEIRTSA-N 2 0 281.488 2.569 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000357747696 382304937 /nfs/dbraw/zinc/30/49/37/382304937.db2.gz JJFSJSZSRRDGHE-CABCVRRESA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H](F)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352402837 382310800 /nfs/dbraw/zinc/31/08/00/382310800.db2.gz QLGJVXJWWYDGIL-OIISXLGYSA-N 2 0 276.399 2.798 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000377656354 382312278 /nfs/dbraw/zinc/31/22/78/382312278.db2.gz XNZVNZVQFABSIR-GOSISDBHSA-N 2 0 297.402 2.871 20 0 CFADRP CCN(CC)CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000377668288 382313856 /nfs/dbraw/zinc/31/38/56/382313856.db2.gz DZJCKARCLXSUHO-IAGOWNOFSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2)C[NH+](C)C ZINC000293874666 382317835 /nfs/dbraw/zinc/31/78/35/382317835.db2.gz YJSGXKWQKUILJI-ZIAGYGMSSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH+](C)C ZINC000188093818 382342669 /nfs/dbraw/zinc/34/26/69/382342669.db2.gz HHSHWBPMUKPGCT-LBPRGKRZSA-N 2 0 299.256 2.921 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420292291 382343109 /nfs/dbraw/zinc/34/31/09/382343109.db2.gz PCWFZZOZUZCSCT-JSGCOSHPSA-N 2 0 299.418 2.718 20 0 CFADRP Cc1ccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420300119 382351861 /nfs/dbraw/zinc/35/18/61/382351861.db2.gz HFCXCCIMDCKAHF-MRXNPFEDSA-N 2 0 288.435 2.838 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420300932 382352174 /nfs/dbraw/zinc/35/21/74/382352174.db2.gz ICXHUCZQQYOZDD-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420301257 382352349 /nfs/dbraw/zinc/35/23/49/382352349.db2.gz IOSHMIXRNNNYCY-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420304378 382354684 /nfs/dbraw/zinc/35/46/84/382354684.db2.gz OJAGZSXCBPJHQA-RDJZCZTQSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420303823 382354696 /nfs/dbraw/zinc/35/46/96/382354696.db2.gz NPQYFHKPVLHGJB-UONOGXRCSA-N 2 0 262.397 2.775 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420305986 382355561 /nfs/dbraw/zinc/35/55/61/382355561.db2.gz QFNWVQQAXQBPQZ-NVXWUHKLSA-N 2 0 288.435 2.874 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@H]12 ZINC000420305841 382356029 /nfs/dbraw/zinc/35/60/29/382356029.db2.gz KOHFUYDEDOFKOW-VJUNAUMWSA-N 2 0 274.383 2.872 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)C[C@H]21 ZINC000420307840 382357215 /nfs/dbraw/zinc/35/72/15/382357215.db2.gz MVECHCDLTYYSKH-ZLKJLUDKSA-N 2 0 299.340 2.660 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000358710598 296329089 /nfs/dbraw/zinc/32/90/89/296329089.db2.gz FYRMXRYBJXUAEF-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CC[C@H]1CCCO1)CC2)C1CC1 ZINC000364968344 382359415 /nfs/dbraw/zinc/35/94/15/382359415.db2.gz DBOHHNUYASGZOL-NVXWUHKLSA-N 2 0 292.467 2.752 20 0 CFADRP OCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303409721 382360088 /nfs/dbraw/zinc/36/00/88/382360088.db2.gz VQPNWNISMBADMF-QGZVFWFLSA-N 2 0 282.472 2.737 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000365056908 382361052 /nfs/dbraw/zinc/36/10/52/382361052.db2.gz XASZJZQSSXRGSC-BRWVUGGUSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420313639 382362147 /nfs/dbraw/zinc/36/21/47/382362147.db2.gz YHJAIGGHCDKOFS-INIZCTEOSA-N 2 0 260.425 2.987 20 0 CFADRP COc1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420317097 382365094 /nfs/dbraw/zinc/36/50/94/382365094.db2.gz NBURZLPKTCKSOS-CQSZACIVSA-N 2 0 274.408 2.659 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000420316686 382365235 /nfs/dbraw/zinc/36/52/35/382365235.db2.gz MDMXILLTIXMVBV-SJLPKXTDSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420316125 382365329 /nfs/dbraw/zinc/36/53/29/382365329.db2.gz XVQWOBPDOHIQAW-GHMZBOCLSA-N 2 0 286.778 2.527 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)on1 ZINC000420320475 382366210 /nfs/dbraw/zinc/36/62/10/382366210.db2.gz QHRZQVOJCVPAJM-KBPBESRZSA-N 2 0 263.385 2.510 20 0 CFADRP C[N@H+](CCCOc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420322098 382368380 /nfs/dbraw/zinc/36/83/80/382368380.db2.gz RWYRYKMUAFIPOF-MRXNPFEDSA-N 2 0 276.424 2.777 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000365264529 382368859 /nfs/dbraw/zinc/36/88/59/382368859.db2.gz GNKPUWKUYNIJCS-MRXNPFEDSA-N 2 0 299.418 2.775 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420322399 382369004 /nfs/dbraw/zinc/36/90/04/382369004.db2.gz DZGOQGTYFLEOGJ-IRXDYDNUSA-N 2 0 288.435 2.777 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000420326855 382370413 /nfs/dbraw/zinc/37/04/13/382370413.db2.gz XYLNRGGEZZSEDA-OAHLLOKOSA-N 2 0 276.424 2.860 20 0 CFADRP c1csc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420326417 382370478 /nfs/dbraw/zinc/37/04/78/382370478.db2.gz XJZHYOSZRNBTNC-HUUCEWRRSA-N 2 0 294.464 2.729 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000420326812 382371129 /nfs/dbraw/zinc/37/11/29/382371129.db2.gz XTWOZGHDTMRBIL-ZFWWWQNUSA-N 2 0 264.413 2.714 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000346459602 382373053 /nfs/dbraw/zinc/37/30/53/382373053.db2.gz MHDYPHGUQQXIAQ-YVSFHVDLSA-N 2 0 282.472 2.902 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420339914 382374924 /nfs/dbraw/zinc/37/49/24/382374924.db2.gz ZJFFOXOXXSEXDD-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP c1cc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420347615 382377189 /nfs/dbraw/zinc/37/71/89/382377189.db2.gz YVRAPUZVXKCCFV-GASCZTMLSA-N 2 0 264.438 2.612 20 0 CFADRP COc1ccccc1CCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420355390 382380774 /nfs/dbraw/zinc/38/07/74/382380774.db2.gz DVMXWWSUKKPESG-MRXNPFEDSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000420364428 382385682 /nfs/dbraw/zinc/38/56/82/382385682.db2.gz CVZZXQWOOHQPBO-GFCCVEGCSA-N 2 0 285.457 2.543 20 0 CFADRP Clc1ccccc1O[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420365722 382387316 /nfs/dbraw/zinc/38/73/16/382387316.db2.gz FHKAEMQNUCEKOO-UONOGXRCSA-N 2 0 294.826 2.793 20 0 CFADRP [NH3+]CC[C@H]1CCCCN1Cc1cnc([C@@H]2CCCO2)s1 ZINC000352541596 382388194 /nfs/dbraw/zinc/38/81/94/382388194.db2.gz ZRZCBXAPSCZJRL-OCCSQVGLSA-N 2 0 295.452 2.698 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541040 382388402 /nfs/dbraw/zinc/38/84/02/382388402.db2.gz SUGZTNIKEZRFAS-WMZOPIPTSA-N 2 0 272.436 2.941 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000365406968 382388879 /nfs/dbraw/zinc/38/88/79/382388879.db2.gz XHAOYTZIUVWZIC-OAHLLOKOSA-N 2 0 298.471 2.915 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420369350 382388929 /nfs/dbraw/zinc/38/89/29/382388929.db2.gz IRQFXKLEDAMNHQ-RYUDHWBXSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000420398612 382398401 /nfs/dbraw/zinc/39/84/01/382398401.db2.gz HBDDLNZXMGPVNL-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000352545965 382390159 /nfs/dbraw/zinc/39/01/59/382390159.db2.gz NVRUBYRSMKZWAA-INIZCTEOSA-N 2 0 284.407 2.576 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000420373977 382391113 /nfs/dbraw/zinc/39/11/13/382391113.db2.gz ZTYLXLHXZXGKDT-CQSZACIVSA-N 2 0 282.815 2.697 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420397384 382398601 /nfs/dbraw/zinc/39/86/01/382398601.db2.gz GBGVFZXUHZVLPD-BQFCYCMXSA-N 2 0 288.435 2.744 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420378444 382394205 /nfs/dbraw/zinc/39/42/05/382394205.db2.gz UJMXFQOFMXDWCC-NEPJUHHUSA-N 2 0 284.350 2.938 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000420296463 382347039 /nfs/dbraw/zinc/34/70/39/382347039.db2.gz DQJWCBBQSSVLDC-BQFCYCMXSA-N 2 0 288.435 2.756 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000377799535 382347472 /nfs/dbraw/zinc/34/74/72/382347472.db2.gz VUHNBFVWCLYIFC-SPUZQDLCSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000346629497 382444199 /nfs/dbraw/zinc/44/41/99/382444199.db2.gz AZWSVQZQHFNACF-DGCLKSJQSA-N 2 0 279.453 2.970 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000346638219 382448705 /nfs/dbraw/zinc/44/87/05/382448705.db2.gz IGGLBFATHAXVFV-UHFFFAOYSA-N 2 0 298.434 2.660 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420405086 382400048 /nfs/dbraw/zinc/40/00/48/382400048.db2.gz SSEBBBVFXKOQLI-CRAIPNDOSA-N 2 0 287.451 2.717 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)[C@H](C)C1 ZINC000357997099 382401934 /nfs/dbraw/zinc/40/19/34/382401934.db2.gz USWKDULOEKBUDD-CZUORRHYSA-N 2 0 280.387 2.524 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nc(C2CC2)no1 ZINC000420414053 382403379 /nfs/dbraw/zinc/40/33/79/382403379.db2.gz UFQSSUBVYFZXMO-GXTWGEPZSA-N 2 0 292.427 2.623 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000346547716 382407270 /nfs/dbraw/zinc/40/72/70/382407270.db2.gz CNIJIEOMTYVWCC-BLLLJJGKSA-N 2 0 280.387 2.544 20 0 CFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCO[C@H](C)C1)CC2 ZINC000352607946 382413684 /nfs/dbraw/zinc/41/36/84/382413684.db2.gz BXWLBKNWBRILHM-VQHPVUNQSA-N 2 0 280.456 2.749 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000294097808 382413861 /nfs/dbraw/zinc/41/38/61/382413861.db2.gz FBOJHDZVVAGOTH-CQSZACIVSA-N 2 0 288.435 2.930 20 0 CFADRP CC(C)[C@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378184682 382414535 /nfs/dbraw/zinc/41/45/35/382414535.db2.gz VVJOHZADJWYYBK-INIZCTEOSA-N 2 0 295.515 2.817 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@@H](C)C1 ZINC000346564188 382416489 /nfs/dbraw/zinc/41/64/89/382416489.db2.gz MUPWCLIUDZMHBL-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000352617629 382419230 /nfs/dbraw/zinc/41/92/30/382419230.db2.gz GLICZWOFWRCHCM-FPCVCCKLSA-N 2 0 268.445 2.606 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OC(C)C ZINC000346646520 382452616 /nfs/dbraw/zinc/45/26/16/382452616.db2.gz OHKACRVDPQVKFN-ZFWWWQNUSA-N 2 0 292.423 2.652 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000346645522 382453254 /nfs/dbraw/zinc/45/32/54/382453254.db2.gz DSROFVOCMWLPQR-HNNXBMFYSA-N 2 0 282.472 2.761 20 0 CFADRP Fc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000358102092 382453323 /nfs/dbraw/zinc/45/33/23/382453323.db2.gz VNFZXCNOSAALOO-OFQRWUPVSA-N 2 0 290.382 2.866 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1C ZINC000378402498 382456042 /nfs/dbraw/zinc/45/60/42/382456042.db2.gz LWQGHMCPHUKJFS-RHSMWYFYSA-N 2 0 298.434 2.659 20 0 CFADRP [NH3+]CC1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000346655049 382456939 /nfs/dbraw/zinc/45/69/39/382456939.db2.gz PPQJEAUFWFLAON-UPHRSURJSA-N 2 0 266.335 2.649 20 0 CFADRP CCCOc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346669895 382463861 /nfs/dbraw/zinc/46/38/61/382463861.db2.gz JENLJOWQWQUAKV-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000346679954 382467482 /nfs/dbraw/zinc/46/74/82/382467482.db2.gz MMCAUQLWGFQEPL-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(C)c1)CC(C)C ZINC000358142500 382467911 /nfs/dbraw/zinc/46/79/11/382467911.db2.gz ZPCZHUXRPCKWDM-MRXNPFEDSA-N 2 0 263.429 2.980 20 0 CFADRP COc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1OC(C)C ZINC000346690605 382474310 /nfs/dbraw/zinc/47/43/10/382474310.db2.gz UFHHZHDRZUYQQC-UHFFFAOYSA-N 2 0 292.423 2.653 20 0 CFADRP Clc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000308466091 382478115 /nfs/dbraw/zinc/47/81/15/382478115.db2.gz XTHYHFGPYQFECO-AWEZNQCLSA-N 2 0 278.827 2.956 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000346694524 382478545 /nfs/dbraw/zinc/47/85/45/382478545.db2.gz URWROZQLTUMMLV-KBPBESRZSA-N 2 0 284.407 2.554 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000366281302 382496518 /nfs/dbraw/zinc/49/65/18/382496518.db2.gz JORKBWXEZULPFU-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000309858516 382490866 /nfs/dbraw/zinc/49/08/66/382490866.db2.gz GGBSUMWKQZXTKJ-HNNXBMFYSA-N 2 0 278.440 2.912 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc2cccnc12 ZINC000346813786 382526135 /nfs/dbraw/zinc/52/61/35/382526135.db2.gz AZPOJDOJLBWDDG-ULQDDVLXSA-N 2 0 281.403 2.712 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000381926399 382526359 /nfs/dbraw/zinc/52/63/59/382526359.db2.gz OWVYHSKKUSRLCA-AGIUHOORSA-N 2 0 260.372 2.884 20 0 CFADRP CCOC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000311699931 382507391 /nfs/dbraw/zinc/50/73/91/382507391.db2.gz LUTIJHPQGYVBGW-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP Clc1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000380292214 382512591 /nfs/dbraw/zinc/51/25/91/382512591.db2.gz FPRGYRCURQCFOV-OKILXGFUSA-N 2 0 294.826 2.650 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCC3CCOCC3)C2)C1 ZINC000366483546 382518114 /nfs/dbraw/zinc/51/81/14/382518114.db2.gz QDYVUPUHYRGBGW-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP c1ccc(C[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346841896 382539532 /nfs/dbraw/zinc/53/95/32/382539532.db2.gz HQIMSXIRGKZWEG-IAGOWNOFSA-N 2 0 258.409 2.551 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3cnc(C4CCC4)s3)C[C@H]12 ZINC000346843204 382539851 /nfs/dbraw/zinc/53/98/51/382539851.db2.gz XMMIKCCZZFRMTM-FPMFFAJLSA-N 2 0 277.437 2.580 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000383275947 382541373 /nfs/dbraw/zinc/54/13/73/382541373.db2.gz ZQYCTBKIGYUSCR-MELADBBJSA-N 2 0 272.383 2.932 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000366722759 382543702 /nfs/dbraw/zinc/54/37/02/382543702.db2.gz YGGGRSREGGXHFP-SFHVURJKSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CC(F)(F)C1 ZINC000383485480 382544828 /nfs/dbraw/zinc/54/48/28/382544828.db2.gz FGSPITLEPGUKFK-YPMHNXCESA-N 2 0 260.372 2.932 20 0 CFADRP Fc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346855654 382545392 /nfs/dbraw/zinc/54/53/92/382545392.db2.gz OMAIDKFJHWGHEA-NVXWUHKLSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353452208 382546478 /nfs/dbraw/zinc/54/64/78/382546478.db2.gz YYKZUOBUNURNED-BRSBDYLESA-N 2 0 293.499 2.713 20 0 CFADRP C[N@H+](CCOCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000384025206 382549000 /nfs/dbraw/zinc/54/90/00/382549000.db2.gz XAIMBIAVYYDMSH-INIZCTEOSA-N 2 0 276.424 2.525 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCCOCc2ccccc2)CC[NH2+]1 ZINC000384038954 382549022 /nfs/dbraw/zinc/54/90/22/382549022.db2.gz HMUJYSAGOJXGBF-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)c2ccccc21 ZINC000384115120 382549164 /nfs/dbraw/zinc/54/91/64/382549164.db2.gz IEEFXMNUEYINFX-KCPJHIHWSA-N 2 0 262.422 2.864 20 0 CFADRP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000384328906 382552437 /nfs/dbraw/zinc/55/24/37/382552437.db2.gz SYVGNSFGLQWHTO-OKZBNKHCSA-N 2 0 288.435 2.765 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC000346871434 382553164 /nfs/dbraw/zinc/55/31/64/382553164.db2.gz VHYRCMYKGZHTEB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP COCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000384393114 382553864 /nfs/dbraw/zinc/55/38/64/382553864.db2.gz YRDSGTYIILTWTH-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384561102 382554944 /nfs/dbraw/zinc/55/49/44/382554944.db2.gz HSZXDHLOBJWEGR-ZQDZILKHSA-N 2 0 256.434 2.652 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000353517284 382556905 /nfs/dbraw/zinc/55/69/05/382556905.db2.gz JUNNESUYBPYSBZ-LSDHHAIUSA-N 2 0 256.409 2.836 20 0 CFADRP C[N@H+](CCCOc1ccc(Cl)cc1)C1CC([NH3+])C1 ZINC000384699636 382557283 /nfs/dbraw/zinc/55/72/83/382557283.db2.gz AHYKLDAOSMZAMO-UHFFFAOYSA-N 2 0 268.788 2.530 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000367598824 382576939 /nfs/dbraw/zinc/57/69/39/382576939.db2.gz GNCBHDQATXBRFQ-IKGGRYGDSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000346887256 382559705 /nfs/dbraw/zinc/55/97/05/382559705.db2.gz SCICBTULRCTNJG-XJKSGUPXSA-N 2 0 279.403 2.558 20 0 CFADRP Cc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000385100914 382565297 /nfs/dbraw/zinc/56/52/97/382565297.db2.gz HPZFEWMZKUZNQQ-GJZGRUSLSA-N 2 0 262.372 2.851 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000358341405 382577395 /nfs/dbraw/zinc/57/73/95/382577395.db2.gz NLRYNKHKXQIHMZ-RCCFBDPRSA-N 2 0 293.499 2.713 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CN2CCCC[C@H]2CO1 ZINC000367412195 382569097 /nfs/dbraw/zinc/56/90/97/382569097.db2.gz HDAJRPHSHYZWDL-BQFCYCMXSA-N 2 0 286.419 2.517 20 0 CFADRP OC1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000367438878 382569193 /nfs/dbraw/zinc/56/91/93/382569193.db2.gz PYVFXZUWOSBLIA-UHFFFAOYSA-N 2 0 280.456 2.678 20 0 CFADRP COc1cc(C)cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358329797 382571354 /nfs/dbraw/zinc/57/13/54/382571354.db2.gz PCAFTORZXUMSEA-HOTGVXAUSA-N 2 0 274.408 2.720 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@H]2CCC[C@H]21 ZINC000353601529 382572817 /nfs/dbraw/zinc/57/28/17/382572817.db2.gz AUXBAEBQYGZXQD-ZJPYXAASSA-N 2 0 294.483 2.638 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346823812 382530620 /nfs/dbraw/zinc/53/06/20/382530620.db2.gz FVHDWSCPPSMJSZ-CFVMTHIKSA-N 2 0 293.480 2.901 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353255228 382530949 /nfs/dbraw/zinc/53/09/49/382530949.db2.gz WPZSJCQURFTBRU-MJBXVCDLSA-N 2 0 259.397 2.849 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000353243219 382531462 /nfs/dbraw/zinc/53/14/62/382531462.db2.gz LJZALYGPTGDGPV-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000382527589 382532089 /nfs/dbraw/zinc/53/20/89/382532089.db2.gz XYYGMFSWFYIEFP-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346831305 382532833 /nfs/dbraw/zinc/53/28/33/382532833.db2.gz KRDZXPYJBQTNTD-UAGQMJEPSA-N 2 0 296.418 2.554 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346831303 382533162 /nfs/dbraw/zinc/53/31/62/382533162.db2.gz KRDZXPYJBQTNTD-BHYGNILZSA-N 2 0 296.418 2.554 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000382696799 382534235 /nfs/dbraw/zinc/53/42/35/382534235.db2.gz KKPIPTZFRMVPTJ-MRXNPFEDSA-N 2 0 289.467 2.581 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCOC2CCC2)CC1 ZINC000346834807 382534396 /nfs/dbraw/zinc/53/43/96/382534396.db2.gz XYWPHXZULJVFHL-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000382899822 382537254 /nfs/dbraw/zinc/53/72/54/382537254.db2.gz SHHSIGHQVOKVRL-GDBMZVCRSA-N 2 0 260.425 2.894 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@H]21 ZINC000346840300 382537705 /nfs/dbraw/zinc/53/77/05/382537705.db2.gz TYYOBRUNGYFVMS-DJIMGWMZSA-N 2 0 296.418 2.636 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358353268 382584092 /nfs/dbraw/zinc/58/40/92/382584092.db2.gz JVCBKWLAXMCUAD-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cccc(O)c2)CC[NH+](C)CC1 ZINC000353626041 382584568 /nfs/dbraw/zinc/58/45/68/382584568.db2.gz TTYGPVIEQISORI-CYBMUJFWSA-N 2 0 294.464 2.870 20 0 CFADRP CSC1(C[NH2+][C@H](C)CC2CC2)CC[NH+](C)CC1 ZINC000353624770 382585014 /nfs/dbraw/zinc/58/50/14/382585014.db2.gz DPNUYONQOBVZES-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccccn2)CC[NH+](C)CC1 ZINC000353628337 382585601 /nfs/dbraw/zinc/58/56/01/382585601.db2.gz WWWLHAGFGCFRDW-CYBMUJFWSA-N 2 0 279.453 2.560 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000358363141 382588012 /nfs/dbraw/zinc/58/80/12/382588012.db2.gz GCVXXMBDFFFIMB-BFHYXJOUSA-N 2 0 258.475 2.694 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000346971305 382592426 /nfs/dbraw/zinc/59/24/26/382592426.db2.gz GTCNNGLLODNRKQ-QXSJWSMHSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358377614 382593406 /nfs/dbraw/zinc/59/34/06/382593406.db2.gz JDWPHFVSCIDFML-TWMKSMIVSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000295246747 382598104 /nfs/dbraw/zinc/59/81/04/382598104.db2.gz PUJLJZSIRJWUED-SUMWQHHRSA-N 2 0 297.402 2.681 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000397404089 382633222 /nfs/dbraw/zinc/63/32/22/382633222.db2.gz SGVNZWUEMMJCMJ-MROQNXINSA-N 2 0 260.372 2.727 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000387785436 382601520 /nfs/dbraw/zinc/60/15/20/382601520.db2.gz FCLLSGTWLXTAGV-OLMNGRFOSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000388740946 382609476 /nfs/dbraw/zinc/60/94/76/382609476.db2.gz JJGPQAZNEICVQE-BZUAXINKSA-N 2 0 269.477 2.616 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295292797 382609653 /nfs/dbraw/zinc/60/96/53/382609653.db2.gz DUDPDOBOLYYKQN-INIZCTEOSA-N 2 0 290.451 2.736 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)ccc2F)C1 ZINC000295293939 382609860 /nfs/dbraw/zinc/60/98/60/382609860.db2.gz JHYKKEBLXZFNNU-AWEZNQCLSA-N 2 0 294.414 2.998 20 0 CFADRP Cc1nc2ccccn2c1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000353736145 382620937 /nfs/dbraw/zinc/62/09/37/382620937.db2.gz FZYLADMKGPJIRT-HOCLYGCPSA-N 2 0 298.434 2.701 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CN1Cc1ccccc1 ZINC000189561482 382624760 /nfs/dbraw/zinc/62/47/60/382624760.db2.gz CDLGSBYDSIJYGX-JQHSSLGASA-N 2 0 286.419 2.932 20 0 CFADRP Cc1cncc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000189896850 382644293 /nfs/dbraw/zinc/64/42/93/382644293.db2.gz OXRRBFREMKWNSC-KRWDZBQOSA-N 2 0 273.424 2.840 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000336848600 382734640 /nfs/dbraw/zinc/73/46/40/382734640.db2.gz LJOKBWMVZHHFOK-ZFWWWQNUSA-N 2 0 294.439 2.942 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000191406430 382699883 /nfs/dbraw/zinc/69/98/83/382699883.db2.gz AECXTOWILYTCSG-UHFFFAOYSA-N 2 0 289.467 2.535 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000192245301 382705876 /nfs/dbraw/zinc/70/58/76/382705876.db2.gz POLIQPIYAACDJT-KBPBESRZSA-N 2 0 266.433 2.581 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000192245299 382705934 /nfs/dbraw/zinc/70/59/34/382705934.db2.gz POLIQPIYAACDJT-KGLIPLIRSA-N 2 0 266.433 2.581 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000192454535 382709107 /nfs/dbraw/zinc/70/91/07/382709107.db2.gz QLLUDYADIWSQCC-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000192784900 382712203 /nfs/dbraw/zinc/71/22/03/382712203.db2.gz VIAZEPWXHQBDHT-KRWDZBQOSA-N 2 0 289.467 2.753 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2sccc2Cl)CC1 ZINC000193087125 382715521 /nfs/dbraw/zinc/71/55/21/382715521.db2.gz RKEJAPQORIZJKT-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP CCC(CC)C[NH+]1CCN(c2cc(OC)ccn2)CC1 ZINC000336825694 382723246 /nfs/dbraw/zinc/72/32/46/382723246.db2.gz BKURDLHZDDBKKD-UHFFFAOYSA-N 2 0 277.412 2.648 20 0 CFADRP CC(C)c1nnc([C@@H](C)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]1 ZINC000575115343 382727547 /nfs/dbraw/zinc/72/75/47/382727547.db2.gz YSKWDOQTCMGLQJ-MCIONIFRSA-N 2 0 293.459 2.890 20 0 CFADRP Cc1ccc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000575119756 382727625 /nfs/dbraw/zinc/72/76/25/382727625.db2.gz IZQUYRJCHBHRBA-DLBZAZTESA-N 2 0 258.409 2.972 20 0 CFADRP C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)CC1CCOCC1 ZINC000336837006 382729639 /nfs/dbraw/zinc/72/96/39/382729639.db2.gz YEFPBGSEDOZLJC-UHFFFAOYSA-N 2 0 280.456 2.659 20 0 CFADRP CCN(CC)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000336838060 382730450 /nfs/dbraw/zinc/73/04/50/382730450.db2.gz MRMBDPXXHQPGHT-RDJZCZTQSA-N 2 0 277.456 2.787 20 0 CFADRP CC[N@@H+]1CC[C@H](CN[C@@H](COC)c2ccc(Cl)cc2)C1 ZINC000193980459 382731261 /nfs/dbraw/zinc/73/12/61/382731261.db2.gz DHONXMZBAZXJDD-CJNGLKHVSA-N 2 0 296.842 2.959 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000575235284 382732439 /nfs/dbraw/zinc/73/24/39/382732439.db2.gz AVDJVEVHPUEAGR-CABCVRRESA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000336845814 382733750 /nfs/dbraw/zinc/73/37/50/382733750.db2.gz FJEXNDVIOPQZQL-SJORKVTESA-N 2 0 292.471 2.619 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000337125797 382763984 /nfs/dbraw/zinc/76/39/84/382763984.db2.gz FMMBUKZJIJWFHE-INIZCTEOSA-N 2 0 282.472 2.713 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC000337175428 382771828 /nfs/dbraw/zinc/77/18/28/382771828.db2.gz ISTUSAHAZNVABC-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C1(C)C ZINC000575522452 382773352 /nfs/dbraw/zinc/77/33/52/382773352.db2.gz QKYPMEWJLBPCCP-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000220105895 382795144 /nfs/dbraw/zinc/79/51/44/382795144.db2.gz YEUBMXZJPGPTJG-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C)cc1 ZINC000219321864 382793109 /nfs/dbraw/zinc/79/31/09/382793109.db2.gz NIEBUZGCOPEZJI-MRXNPFEDSA-N 2 0 264.413 2.614 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228475460 382846910 /nfs/dbraw/zinc/84/69/10/382846910.db2.gz IZWAKQVVOPFNNB-GVDBMIGSSA-N 2 0 258.409 2.808 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229620178 382852768 /nfs/dbraw/zinc/85/27/68/382852768.db2.gz PAQHGPXQPRSGTK-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000575744668 382797675 /nfs/dbraw/zinc/79/76/75/382797675.db2.gz FFSQKAYBWUDOAF-DLBZAZTESA-N 2 0 291.439 2.863 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221276691 382798386 /nfs/dbraw/zinc/79/83/86/382798386.db2.gz ZUCTWWPKVHCXPP-WFASDCNBSA-N 2 0 250.361 2.818 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000337315151 382800152 /nfs/dbraw/zinc/80/01/52/382800152.db2.gz IXBSTFHQPQVQPH-SFHVURJKSA-N 2 0 293.499 2.691 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000229033975 382849935 /nfs/dbraw/zinc/84/99/35/382849935.db2.gz KAELCGCRBFZKOO-STQMWFEESA-N 2 0 250.361 2.693 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000337327632 382802236 /nfs/dbraw/zinc/80/22/36/382802236.db2.gz DJBFHFLVMXRMLG-HNNXBMFYSA-N 2 0 258.450 2.898 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000337331004 382803469 /nfs/dbraw/zinc/80/34/69/382803469.db2.gz HIEVRXRTEWKHFD-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000337335914 382804689 /nfs/dbraw/zinc/80/46/89/382804689.db2.gz LUNCFPYGVITCMP-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP COc1ccsc1[C@H](C)NCCC[NH2+]C(C)C ZINC000576146624 382812097 /nfs/dbraw/zinc/81/20/97/382812097.db2.gz XRVRBIUKWCWKFQ-NSHDSACASA-N 2 0 256.415 2.795 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]CCOCC[NH2+][C@H]1CCC1(C)C ZINC000576169563 382812794 /nfs/dbraw/zinc/81/27/94/382812794.db2.gz KRTDWTVSMPYWGF-OKILXGFUSA-N 2 0 268.445 2.559 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CC12CCSCC2 ZINC000576217944 382814520 /nfs/dbraw/zinc/81/45/20/382814520.db2.gz JHQDFWKMTXETFZ-HNNXBMFYSA-N 2 0 294.508 2.984 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000576227483 382814963 /nfs/dbraw/zinc/81/49/63/382814963.db2.gz XTODLBBHDPEKEA-HNNXBMFYSA-N 2 0 296.418 2.704 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000337420453 382818067 /nfs/dbraw/zinc/81/80/67/382818067.db2.gz WEJQMTLNNPOGEZ-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000337455539 382823708 /nfs/dbraw/zinc/82/37/08/382823708.db2.gz HNQBCZSVSUADEV-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000577191855 382851330 /nfs/dbraw/zinc/85/13/30/382851330.db2.gz YRJUHUNSPHXVQA-IUCAKERBSA-N 2 0 293.358 2.564 20 0 CFADRP CC(C)[NH+](CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000576515234 382825543 /nfs/dbraw/zinc/82/55/43/382825543.db2.gz FPBSTQDZMUTUNF-HZPDHXFCSA-N 2 0 297.487 2.519 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(O)c1 ZINC000226345417 382827132 /nfs/dbraw/zinc/82/71/32/382827132.db2.gz AQLRTURTEQQSLW-CYBMUJFWSA-N 2 0 262.397 2.775 20 0 CFADRP COc1ccccc1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000226435550 382828434 /nfs/dbraw/zinc/82/84/34/382828434.db2.gz TUCLDHXQVRIHFB-AWEZNQCLSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226435724 382828756 /nfs/dbraw/zinc/82/87/56/382828756.db2.gz UBIYEYGMPZBQLW-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000226434410 382828905 /nfs/dbraw/zinc/82/89/05/382828905.db2.gz ZQRKAACGKUNMGB-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C)n(C)n2)CC1 ZINC000337505960 382833616 /nfs/dbraw/zinc/83/36/16/382833616.db2.gz FLAJWKMOORIDKZ-CQSZACIVSA-N 2 0 278.444 2.501 20 0 CFADRP c1ccc(-c2ncc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000576725825 382834399 /nfs/dbraw/zinc/83/43/99/382834399.db2.gz ISNCSOVAILIUIJ-HNNXBMFYSA-N 2 0 296.418 2.623 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000227189672 382834898 /nfs/dbraw/zinc/83/48/98/382834898.db2.gz JAJREYGRIFIOAF-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP CCOc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227330662 382835628 /nfs/dbraw/zinc/83/56/28/382835628.db2.gz LTDYZEXMCVQZBN-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000337516686 382835710 /nfs/dbraw/zinc/83/57/10/382835710.db2.gz MARQOFMUNFPDBY-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000227496837 382837197 /nfs/dbraw/zinc/83/71/97/382837197.db2.gz QHASGQXEFRFKRK-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CO)c1 ZINC000227457525 382837222 /nfs/dbraw/zinc/83/72/22/382837222.db2.gz BRTWACGCLZHZBH-RHSMWYFYSA-N 2 0 276.424 2.579 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000576861453 382838733 /nfs/dbraw/zinc/83/87/33/382838733.db2.gz RBZIIQUWIGXZAA-HNNXBMFYSA-N 2 0 291.439 2.690 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@H]21 ZINC000230046795 382855267 /nfs/dbraw/zinc/85/52/67/382855267.db2.gz MHYZOMMBGCQXGL-OKZBNKHCSA-N 2 0 270.420 2.735 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(CC[NH3+])CC1 ZINC000577381395 382857338 /nfs/dbraw/zinc/85/73/38/382857338.db2.gz WSUMASJICWUFSF-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577626852 382865345 /nfs/dbraw/zinc/86/53/45/382865345.db2.gz VQHPGLSIVYBALD-QLFBSQMISA-N 2 0 262.397 2.622 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626730 382865422 /nfs/dbraw/zinc/86/54/22/382865422.db2.gz QIXTZRCRGBAQSL-MSOLQXFVSA-N 3 0 287.451 2.642 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000233449107 382871106 /nfs/dbraw/zinc/87/11/06/382871106.db2.gz QFSPPJYSFSFVOQ-UHFFFAOYSA-N 2 0 290.451 2.922 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000577833411 382871992 /nfs/dbraw/zinc/87/19/92/382871992.db2.gz IYMVANXJFVPZCO-UHFFFAOYSA-N 2 0 295.430 2.922 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1nccs1 ZINC000234057106 382872843 /nfs/dbraw/zinc/87/28/43/382872843.db2.gz WXGFZOLHFNZAOW-SRVKXCTJSA-N 2 0 253.415 2.572 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000234269459 382873473 /nfs/dbraw/zinc/87/34/73/382873473.db2.gz CUSGOMXVXZCEIO-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP Cc1ccc(F)c(C[N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000234286687 382873556 /nfs/dbraw/zinc/87/35/56/382873556.db2.gz IHPVISSJKPICPB-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CCOCC1 ZINC000235113228 382876748 /nfs/dbraw/zinc/87/67/48/382876748.db2.gz CYHQMGWCJTUMST-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422946909 532960499 /nfs/dbraw/zinc/96/04/99/532960499.db2.gz PRSCPCFEAOAMFE-STQMWFEESA-N 2 0 294.464 2.621 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000337985968 382889366 /nfs/dbraw/zinc/88/93/66/382889366.db2.gz MYWYEJPOANCRSQ-ILXRZTDVSA-N 2 0 256.409 2.836 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337988885 382890615 /nfs/dbraw/zinc/89/06/15/382890615.db2.gz OYOHBQKABXNPMT-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[NH+](C)C ZINC000337990878 382890988 /nfs/dbraw/zinc/89/09/88/382890988.db2.gz FLWZSXUYHFPGDI-LBPRGKRZSA-N 2 0 270.367 2.827 20 0 CFADRP CCc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000578198339 382899487 /nfs/dbraw/zinc/89/94/87/382899487.db2.gz OYRDSVVVPDGEKJ-INIZCTEOSA-N 2 0 290.451 2.840 20 0 CFADRP COCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000338010151 382900225 /nfs/dbraw/zinc/90/02/25/382900225.db2.gz YGBCVMBDYNACNB-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP c1ccc(-c2ncc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000578330179 382912088 /nfs/dbraw/zinc/91/20/88/382912088.db2.gz QITMABVXBULJCM-KRWDZBQOSA-N 2 0 296.418 2.765 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1Br ZINC000422826709 532963953 /nfs/dbraw/zinc/96/39/53/532963953.db2.gz LWCGLGUIXANDTD-MNOVXSKESA-N 2 0 285.229 2.707 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000442709041 382947185 /nfs/dbraw/zinc/94/71/85/382947185.db2.gz NAWVEGUVFQSPRG-HIFPTAJRSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000422955475 532964349 /nfs/dbraw/zinc/96/43/49/532964349.db2.gz MDFXPRFXRVILII-ZJUUUORDSA-N 2 0 258.768 2.737 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766615 382953307 /nfs/dbraw/zinc/95/33/07/382953307.db2.gz LBUXYLNSCUNHRN-REOARJMMSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746738 532964552 /nfs/dbraw/zinc/96/45/52/532964552.db2.gz XCWKUBAZLYUNAE-MNOVXSKESA-N 2 0 269.458 2.699 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423139180 532964679 /nfs/dbraw/zinc/96/46/79/532964679.db2.gz ZDBOVIYPNJZDEJ-MNOVXSKESA-N 2 0 250.361 2.919 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792604 532964974 /nfs/dbraw/zinc/96/49/74/532964974.db2.gz XIDXUNOETIYLOK-BDAKNGLRSA-N 2 0 291.226 2.516 20 0 CFADRP COC1([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)CCCC1 ZINC000421806326 382929563 /nfs/dbraw/zinc/92/95/63/382929563.db2.gz YYODIHBYQQOADL-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)CCCC1 ZINC000421820513 382932952 /nfs/dbraw/zinc/93/29/52/382932952.db2.gz MPRDVEWHWXUROJ-AWEZNQCLSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCN(C)c1ccccc1 ZINC000422739962 532963334 /nfs/dbraw/zinc/96/33/34/532963334.db2.gz MJUHUKOGWVELIX-CABCVRRESA-N 2 0 263.429 2.618 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000442931201 382963607 /nfs/dbraw/zinc/96/36/07/382963607.db2.gz VMAMFGMXLJGEOH-LLVKDONJSA-N 2 0 287.329 2.661 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)n1 ZINC000422641299 382974596 /nfs/dbraw/zinc/97/45/96/382974596.db2.gz XKOSHPABNFVAFH-RBOXIYTFSA-N 2 0 261.413 2.504 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422703786 382975196 /nfs/dbraw/zinc/97/51/96/382975196.db2.gz IQRNZUURJUBKAD-HOCLYGCPSA-N 2 0 260.425 2.990 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422706106 382975802 /nfs/dbraw/zinc/97/58/02/382975802.db2.gz DKFWXBXOHIZJJR-FXUDXRNXSA-N 2 0 268.445 2.559 20 0 CFADRP c1nc2cc(C[NH2+]CCCCC[NH+]3CCCC3)ccc2[nH]1 ZINC000549868389 383016492 /nfs/dbraw/zinc/01/64/92/383016492.db2.gz WKUAGIHUUSEZOQ-UHFFFAOYSA-N 2 0 286.423 2.919 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422747580 382977496 /nfs/dbraw/zinc/97/74/96/382977496.db2.gz QNHJRJBKAUBYEQ-IUODEOHRSA-N 2 0 299.409 2.675 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000422769436 382977622 /nfs/dbraw/zinc/97/76/22/382977622.db2.gz UVCBFTZUYQCQHV-RHSMWYFYSA-N 2 0 269.392 2.888 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422782743 382979858 /nfs/dbraw/zinc/97/98/58/382979858.db2.gz MBIGUMLCEWTDLD-KURKYZTESA-N 2 0 289.467 2.705 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000548773265 382981076 /nfs/dbraw/zinc/98/10/76/382981076.db2.gz ILGHHMQUXDNUQC-DOTOQJQBSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)C[C@H](C)[NH3+] ZINC000422830816 382982018 /nfs/dbraw/zinc/98/20/18/382982018.db2.gz DCGUKONJTKCFFM-FZKCQIBNSA-N 2 0 269.477 2.602 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC[C@H]1C ZINC000422856536 382983368 /nfs/dbraw/zinc/98/33/68/382983368.db2.gz GGBVMAIXGWJXTJ-ZACQAIPSSA-N 2 0 281.488 2.761 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338302357 382983539 /nfs/dbraw/zinc/98/35/39/382983539.db2.gz DHWOQWWCXRZUSH-SJORKVTESA-N 2 0 298.471 2.583 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422838666 382983606 /nfs/dbraw/zinc/98/36/06/382983606.db2.gz OUXILQPMHPJZSL-CQSZACIVSA-N 3 0 267.461 2.501 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422840478 382983786 /nfs/dbraw/zinc/98/37/86/382983786.db2.gz BOCLRNMRGYGVFZ-HOTGVXAUSA-N 2 0 288.435 2.976 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])c[nH]c2c1 ZINC000422850564 382983918 /nfs/dbraw/zinc/98/39/18/382983918.db2.gz WCFUPPNMNSLANI-XJKSGUPXSA-N 2 0 271.408 2.736 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422839463 382983944 /nfs/dbraw/zinc/98/39/44/382983944.db2.gz QCRSIMGXQJQLGX-SJLPKXTDSA-N 3 0 295.515 2.865 20 0 CFADRP Cc1ccc2c(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc(O)c2n1 ZINC000338305595 382984045 /nfs/dbraw/zinc/98/40/45/382984045.db2.gz SLQGHPHHQNSSKH-AWEZNQCLSA-N 2 0 299.418 2.632 20 0 CFADRP CC[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422865565 382985589 /nfs/dbraw/zinc/98/55/89/382985589.db2.gz YOINAMCZDJWPQW-HYVNUMGLSA-N 2 0 279.472 2.514 20 0 CFADRP COCCC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000422886113 382987017 /nfs/dbraw/zinc/98/70/17/382987017.db2.gz HQOYFSRRWFMPED-CVEARBPZSA-N 2 0 274.408 2.928 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(C(C)C)CC1 ZINC000422891449 382987363 /nfs/dbraw/zinc/98/73/63/382987363.db2.gz KNUOKKNZMBJLEY-YMAMQOFZSA-N 2 0 256.434 2.545 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422914381 382988481 /nfs/dbraw/zinc/98/84/81/382988481.db2.gz TXVNLUIHYACYON-YESZJQIVSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000422922978 382988638 /nfs/dbraw/zinc/98/86/38/382988638.db2.gz UVVULAQWSDGHJV-BRXULGCHSA-N 2 0 262.397 2.657 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000422951396 382989351 /nfs/dbraw/zinc/98/93/51/382989351.db2.gz YKPSEOMQADOONK-KWBADKCTSA-N 2 0 268.788 2.879 20 0 CFADRP Oc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422973313 382990856 /nfs/dbraw/zinc/99/08/56/382990856.db2.gz OARHSLYATCCVGX-YESZJQIVSA-N 2 0 288.435 2.835 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000422976814 382992287 /nfs/dbraw/zinc/99/22/87/382992287.db2.gz DWWGFTCESCTJAU-ZIAGYGMSSA-N 2 0 299.418 2.967 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422977454 382992322 /nfs/dbraw/zinc/99/23/22/382992322.db2.gz FMEAPEXXTCSNNF-FGTMMUONSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1 ZINC000422975654 382992432 /nfs/dbraw/zinc/99/24/32/382992432.db2.gz BRXFSCOTLAZDRA-IJEWVQPXSA-N 2 0 262.397 2.561 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422977378 382992768 /nfs/dbraw/zinc/99/27/68/382992768.db2.gz JYHYSROYPCEMMA-BZUAXINKSA-N 2 0 282.472 2.828 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422978928 382993964 /nfs/dbraw/zinc/99/39/64/382993964.db2.gz KZJPLLDCOLECEW-WBVHZDCISA-N 2 0 292.467 2.866 20 0 CFADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422978607 382994223 /nfs/dbraw/zinc/99/42/23/382994223.db2.gz ZTFBTRGYVIJSIE-GVDBMIGSSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H]1CCCC[NH+](CC(O)C[N@H+]2CCCC[C@@H](C)C2)C1 ZINC000447304527 382995408 /nfs/dbraw/zinc/99/54/08/382995408.db2.gz WIZRWQYZXJTPCC-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1 ZINC000422981712 382995575 /nfs/dbraw/zinc/99/55/75/382995575.db2.gz PBOSFGWRLPESDH-KBPBESRZSA-N 2 0 250.386 2.561 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H](C)[C@@H]1OC ZINC000422984324 382996217 /nfs/dbraw/zinc/99/62/17/382996217.db2.gz AIFBABOHDWUILK-WCMAUXFHSA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000579238787 382996134 /nfs/dbraw/zinc/99/61/34/382996134.db2.gz XDAGGMUMCCISRZ-QZTJIDSGSA-N 2 0 272.436 2.894 20 0 CFADRP C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422989452 382998356 /nfs/dbraw/zinc/99/83/56/382998356.db2.gz LVMSHCMQTLVYTG-BBRMVZONSA-N 2 0 276.399 2.879 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1COC2 ZINC000422988036 382998602 /nfs/dbraw/zinc/99/86/02/382998602.db2.gz HXHUJZACFOKGLX-KZNAEPCWSA-N 2 0 286.419 2.727 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000422992549 382999778 /nfs/dbraw/zinc/99/97/78/382999778.db2.gz RIOKZVJGACQXPP-SJORKVTESA-N 2 0 298.434 2.930 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000422996280 383001110 /nfs/dbraw/zinc/00/11/10/383001110.db2.gz SOCSNLLBGZKHIR-DXCKQFNASA-N 2 0 291.439 2.703 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000422995062 383001530 /nfs/dbraw/zinc/00/15/30/383001530.db2.gz WYALYJNYBTYVHD-NXNVCVFFSA-N 2 0 276.424 2.840 20 0 CFADRP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422994098 383001555 /nfs/dbraw/zinc/00/15/55/383001555.db2.gz GUPDAEKWCUKOTH-JCGIZDLHSA-N 2 0 288.435 2.883 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2ccccn2)c2ccccc21 ZINC000422996122 383001771 /nfs/dbraw/zinc/00/17/71/383001771.db2.gz KYFWCZJIMBLFIE-SJORKVTESA-N 2 0 267.376 2.749 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCOCc2ccc(Cl)cc2)CC1 ZINC000422997190 383002223 /nfs/dbraw/zinc/00/22/23/383002223.db2.gz AVMLMXPJQUMHCH-UHFFFAOYSA-N 2 0 296.842 2.964 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000423001345 383003912 /nfs/dbraw/zinc/00/39/12/383003912.db2.gz HYWKHIDCFWBVEP-KGLIPLIRSA-N 2 0 282.815 2.968 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422999546 383004518 /nfs/dbraw/zinc/00/45/18/383004518.db2.gz SPXSENMPJNGABF-DOTOQJQBSA-N 2 0 276.424 2.735 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000245549481 383005869 /nfs/dbraw/zinc/00/58/69/383005869.db2.gz ZHNSMHHOAZYOPQ-BRWVUGGUSA-N 2 0 294.483 2.903 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423002491 383006178 /nfs/dbraw/zinc/00/61/78/383006178.db2.gz ZARFSJZAVUJIDZ-RCCFBDPRSA-N 2 0 287.451 2.915 20 0 CFADRP CC(C)CSCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423009302 383009461 /nfs/dbraw/zinc/00/94/61/383009461.db2.gz COACLTONAPYWMJ-GOEBONIOSA-N 2 0 280.481 2.924 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423012660 383010168 /nfs/dbraw/zinc/01/01/68/383010168.db2.gz DKPYWBZMXZHRKT-MSQAHXEGSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423027567 383018403 /nfs/dbraw/zinc/01/84/03/383018403.db2.gz RMMIIXMHRDKQHS-TZMCWYRMSA-N 2 0 295.496 2.961 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1nc(-c2ccccc2)no1 ZINC000423008415 383010379 /nfs/dbraw/zinc/01/03/79/383010379.db2.gz ADUQAIOKFWWNAI-AGIUHOORSA-N 2 0 288.395 2.556 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423013841 383011002 /nfs/dbraw/zinc/01/10/02/383011002.db2.gz NMNJDMPSFDTDMA-IAGOWNOFSA-N 2 0 258.409 2.509 20 0 CFADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423013621 383011505 /nfs/dbraw/zinc/01/15/05/383011505.db2.gz GKZKUNAUKPHWKE-ZWKOTPCHSA-N 2 0 298.434 2.704 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423013843 383011691 /nfs/dbraw/zinc/01/16/91/383011691.db2.gz NMNJDMPSFDTDMA-SJORKVTESA-N 2 0 258.409 2.509 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245612693 383014976 /nfs/dbraw/zinc/01/49/76/383014976.db2.gz LSWLBZMHBGTWIV-GDBMZVCRSA-N 2 0 276.424 2.739 20 0 CFADRP C[C@@H]([NH2+]CCC1Cc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000423018760 383015545 /nfs/dbraw/zinc/01/55/45/383015545.db2.gz ZQLIOTUTCIUXSH-CXAGYDPISA-N 2 0 258.409 2.522 20 0 CFADRP CCCc1csc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000578918813 382965974 /nfs/dbraw/zinc/96/59/74/382965974.db2.gz JJYQUAHYOZMFOM-JSGCOSHPSA-N 2 0 281.469 2.868 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000423046513 383028348 /nfs/dbraw/zinc/02/83/48/383028348.db2.gz FLEFMSOMGVTXIB-UONOGXRCSA-N 2 0 269.392 2.964 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)C[C@H]1OCc1ccccc1 ZINC000423045747 383028991 /nfs/dbraw/zinc/02/89/91/383028991.db2.gz CLCGUUZRPWIBAC-IAGOWNOFSA-N 2 0 288.435 2.712 20 0 CFADRP CCC(CC)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000423049004 383029708 /nfs/dbraw/zinc/02/97/08/383029708.db2.gz XBXBRPUBJKVSRJ-NFFSZXGFSA-N 2 0 280.456 2.843 20 0 CFADRP CC(C)c1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000423048083 383030399 /nfs/dbraw/zinc/03/03/99/383030399.db2.gz HQCJYASGDVMBRQ-RRQGHBQHSA-N 2 0 276.424 2.652 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423055229 383032978 /nfs/dbraw/zinc/03/29/78/383032978.db2.gz CXLRTGLZTANZNA-INIZCTEOSA-N 2 0 275.440 2.763 20 0 CFADRP c1ccc([C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423053465 383033237 /nfs/dbraw/zinc/03/32/37/383033237.db2.gz SKDMPUBITOAEGF-VTEPJNGRSA-N 2 0 286.419 2.779 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCF)C[C@H]1c1ccccc1 ZINC000551086145 383034586 /nfs/dbraw/zinc/03/45/86/383034586.db2.gz MOQIKZQBWGVCHB-CABCVRRESA-N 2 0 250.361 2.771 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423394453 383080817 /nfs/dbraw/zinc/08/08/17/383080817.db2.gz ZSCHNQPYWARYPT-HYVNUMGLSA-N 2 0 260.425 2.984 20 0 CFADRP COCCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423063499 383036654 /nfs/dbraw/zinc/03/66/54/383036654.db2.gz OUWHURPSUWANQD-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)[C@H](C)C2 ZINC000423390750 383078448 /nfs/dbraw/zinc/07/84/48/383078448.db2.gz KJRSTTWFNXCFEB-DLTLXFJOSA-N 2 0 258.409 2.816 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423069184 383039787 /nfs/dbraw/zinc/03/97/87/383039787.db2.gz ANDNQPRNXSDQHC-DLBZAZTESA-N 2 0 287.451 2.843 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423067266 383039900 /nfs/dbraw/zinc/03/99/00/383039900.db2.gz GSBUNRTVTHTLAK-YCUKKYJWSA-N 2 0 274.408 2.926 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423069356 383040157 /nfs/dbraw/zinc/04/01/57/383040157.db2.gz AUVOWWMCQMKIAI-GOEBONIOSA-N 2 0 261.413 2.726 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000448026854 383040421 /nfs/dbraw/zinc/04/04/21/383040421.db2.gz KEMLSTJZIOCIAE-INIZCTEOSA-N 2 0 295.515 2.959 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@@H]2CCCO[C@H]21 ZINC000245863983 383041763 /nfs/dbraw/zinc/04/17/63/383041763.db2.gz IGEBQSHDZLBVLO-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423088152 383041813 /nfs/dbraw/zinc/04/18/13/383041813.db2.gz RAYQHHPUQGNJNA-UHOFOFEASA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423111854 383042909 /nfs/dbraw/zinc/04/29/09/383042909.db2.gz WUBMTADXFVFSHV-VBNZEHGJSA-N 2 0 295.858 2.673 20 0 CFADRP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579694051 383043290 /nfs/dbraw/zinc/04/32/90/383043290.db2.gz SORNIJWCMSQYBC-CHWSQXEVSA-N 2 0 262.372 2.744 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423388977 383078785 /nfs/dbraw/zinc/07/87/85/383078785.db2.gz URNHVYMUCSBGHF-GFCCVEGCSA-N 2 0 297.393 2.521 20 0 CFADRP C[C@H]([NH2+]CC[C@@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423139681 383045118 /nfs/dbraw/zinc/04/51/18/383045118.db2.gz WGVLQJGPOLQOSM-FZMZJTMJSA-N 2 0 286.341 2.920 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423143190 383045432 /nfs/dbraw/zinc/04/54/32/383045432.db2.gz CNVDLMTXHCLNTO-OBJOEFQTSA-N 2 0 262.422 2.593 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000423147941 383045527 /nfs/dbraw/zinc/04/55/27/383045527.db2.gz UCTADJZVMWXWMS-UPJWGTAASA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423139683 383045653 /nfs/dbraw/zinc/04/56/53/383045653.db2.gz WGVLQJGPOLQOSM-SMDDNHRTSA-N 2 0 286.341 2.920 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000423163389 383046310 /nfs/dbraw/zinc/04/63/10/383046310.db2.gz RAANSRFIYJUARH-GUTXKFCHSA-N 2 0 261.413 2.673 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423155197 383046353 /nfs/dbraw/zinc/04/63/53/383046353.db2.gz KQPQBYWGOMOWLE-ZACQAIPSSA-N 2 0 280.456 2.800 20 0 CFADRP CSCC1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000423165470 383046384 /nfs/dbraw/zinc/04/63/84/383046384.db2.gz XZYOFOBHDWDKPI-FEWQNLEASA-N 2 0 270.486 2.886 20 0 CFADRP CSCC1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423165473 383046629 /nfs/dbraw/zinc/04/66/29/383046629.db2.gz XZYOFOBHDWDKPI-LQULJDIASA-N 2 0 270.486 2.886 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423187027 383049302 /nfs/dbraw/zinc/04/93/02/383049302.db2.gz KTLWYTGFYBPQFS-UKRRQHHQSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000338784352 383050942 /nfs/dbraw/zinc/05/09/42/383050942.db2.gz XNUVKWNJZBRCJK-ARKGTOAJSA-N 2 0 268.445 2.652 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C23CCC3)C1 ZINC000245948529 383052419 /nfs/dbraw/zinc/05/24/19/383052419.db2.gz WCBLBGCQCLHLMX-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1OCC ZINC000423255993 383052753 /nfs/dbraw/zinc/05/27/53/383052753.db2.gz BEAMHNFRLCXUBY-ZIAGYGMSSA-N 2 0 294.439 2.990 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423256872 383053099 /nfs/dbraw/zinc/05/30/99/383053099.db2.gz GKTFRZOQWBCIHT-SOUVJXGZSA-N 2 0 268.445 2.558 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423279447 383055256 /nfs/dbraw/zinc/05/52/56/383055256.db2.gz SNXVHOSRJGXVRR-HNNXBMFYSA-N 2 0 272.436 2.913 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000338797575 383055448 /nfs/dbraw/zinc/05/54/48/383055448.db2.gz YGKYBHKLLUPJOA-QZTJIDSGSA-N 2 0 296.499 2.884 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H](C)C[NH3+] ZINC000423299917 383056915 /nfs/dbraw/zinc/05/69/15/383056915.db2.gz CRDZBHNXTWGYHO-ABAIWWIYSA-N 2 0 262.397 2.602 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@@H]1CCc2ccc(OC)cc21 ZINC000423297320 383057212 /nfs/dbraw/zinc/05/72/12/383057212.db2.gz JTJJFMAVJSKYMQ-XJKSGUPXSA-N 2 0 262.397 2.790 20 0 CFADRP CC(C)c1[nH+]c(CNC(C)(C)C[NH+](C)C)c2ccccn21 ZINC000579845937 383059161 /nfs/dbraw/zinc/05/91/61/383059161.db2.gz LHVUUPDZGDADOP-UHFFFAOYSA-N 2 0 288.439 2.888 20 0 CFADRP Cc1nocc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000552030067 383065406 /nfs/dbraw/zinc/06/54/06/383065406.db2.gz CNOARSUGUXFKFQ-UHFFFAOYSA-N 2 0 265.401 2.535 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423367941 383065712 /nfs/dbraw/zinc/06/57/12/383065712.db2.gz ZEHQWFIMDJSOAL-ZIAGYGMSSA-N 2 0 262.397 2.796 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CCSCC1 ZINC000423368251 383067224 /nfs/dbraw/zinc/06/72/24/383067224.db2.gz DGECFGYNIROBKB-GFCCVEGCSA-N 2 0 276.449 2.911 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@@H]2CCCO[C@@H]21 ZINC000423371024 383068541 /nfs/dbraw/zinc/06/85/41/383068541.db2.gz AELRTFMZOASDIP-YJNKXOJESA-N 2 0 280.456 2.558 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423370646 383068889 /nfs/dbraw/zinc/06/88/89/383068889.db2.gz UMWRDCPNERTCOG-RHSMWYFYSA-N 2 0 298.434 2.973 20 0 CFADRP COCC1(C[NH2+][C@H](C2CC2)C2CCCC2)CC[NH2+]CC1 ZINC000423395190 383080309 /nfs/dbraw/zinc/08/03/09/383080309.db2.gz ACBLRFCYYJADTL-INIZCTEOSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH2+]1 ZINC000423379220 383071959 /nfs/dbraw/zinc/07/19/59/383071959.db2.gz MQOVUEYZDIYLOY-DJSGYFEHSA-N 2 0 262.372 2.933 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423378499 383072636 /nfs/dbraw/zinc/07/26/36/383072636.db2.gz LDKMMXCZVQOAGB-FITYOTRXSA-N 2 0 258.409 2.909 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423396384 383080668 /nfs/dbraw/zinc/08/06/68/383080668.db2.gz UATDGQQEOILXAS-YDHLFZDLSA-N 2 0 262.397 2.876 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423030705 383020219 /nfs/dbraw/zinc/02/02/19/383020219.db2.gz UEPNJPXZVKJHQR-GFCCVEGCSA-N 2 0 276.380 2.512 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000423031230 383021058 /nfs/dbraw/zinc/02/10/58/383021058.db2.gz KTRWAEGTAROBSK-ZFWWWQNUSA-N 2 0 279.403 2.748 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423032371 383021489 /nfs/dbraw/zinc/02/14/89/383021489.db2.gz MHGINBZZXZWTIE-PBHICJAKSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@H](CCN[C@H]1CCCCC[C@H]1[NH3+])[NH+]1CCCCC1 ZINC000423037676 383023100 /nfs/dbraw/zinc/02/31/00/383023100.db2.gz WOLLEHXIRGEIEG-OAGGEKHMSA-N 2 0 267.461 2.501 20 0 CFADRP Fc1ccccc1NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423038031 383025401 /nfs/dbraw/zinc/02/54/01/383025401.db2.gz XPTWLOHRHFGHMW-PBWFPOADSA-N 2 0 277.387 2.500 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000423038769 383025407 /nfs/dbraw/zinc/02/54/07/383025407.db2.gz OZABJLOFTJKNSM-WXHSDQCUSA-N 2 0 267.442 2.805 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1c(C)cccc1C ZINC000423042282 383025671 /nfs/dbraw/zinc/02/56/71/383025671.db2.gz YXQZFHJKTOYRQZ-GJZGRUSLSA-N 2 0 264.413 2.708 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1OC ZINC000423490323 383119589 /nfs/dbraw/zinc/11/95/89/383119589.db2.gz HTYNCDBXRQZQLZ-IPYPFGDCSA-N 2 0 262.397 2.863 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OC)cc1 ZINC000423492302 383120256 /nfs/dbraw/zinc/12/02/56/383120256.db2.gz MMMGHGVCXLVXHT-BJJXKVORSA-N 2 0 262.397 2.863 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC)cc1 ZINC000423492303 383120316 /nfs/dbraw/zinc/12/03/16/383120316.db2.gz MMMGHGVCXLVXHT-INWMFGNUSA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccn1 ZINC000423493906 383120565 /nfs/dbraw/zinc/12/05/65/383120565.db2.gz RHRGPYVBMMAPNN-LZWOXQAQSA-N 2 0 261.413 2.886 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000423492177 383120774 /nfs/dbraw/zinc/12/07/74/383120774.db2.gz LZMBRICCFYMFOD-ZMLRMANQSA-N 2 0 267.442 2.792 20 0 CFADRP COCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423497585 383121455 /nfs/dbraw/zinc/12/14/55/383121455.db2.gz GZTMPRPQKRSVCW-HOCLYGCPSA-N 2 0 264.413 2.871 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423501086 383124152 /nfs/dbraw/zinc/12/41/52/383124152.db2.gz KXFGWHQPUAMOOX-JLSDUUJJSA-N 2 0 287.451 2.539 20 0 CFADRP COC(=O)c1csc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000423502681 383124309 /nfs/dbraw/zinc/12/43/09/383124309.db2.gz MEMQXUHTFITDAK-ZWNOBZJWSA-N 2 0 296.436 2.703 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000423511360 383125384 /nfs/dbraw/zinc/12/53/84/383125384.db2.gz QBRVAZGVZMKFIZ-WPGHFRTFSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423516122 383125422 /nfs/dbraw/zinc/12/54/22/383125422.db2.gz ATMNLAFICPSNAZ-MEDUHNTESA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527792 383126120 /nfs/dbraw/zinc/12/61/20/383126120.db2.gz MTOWAMBHSHFQOO-XLNGHYISSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536375 383126413 /nfs/dbraw/zinc/12/64/13/383126413.db2.gz HOPALBAVVCDJET-HNNXBMFYSA-N 2 0 258.409 2.825 20 0 CFADRP CC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000501973768 383138490 /nfs/dbraw/zinc/13/84/90/383138490.db2.gz GFPYIEBAJZRMBY-KBMXLJTQSA-N 2 0 261.413 2.805 20 0 CFADRP CCSCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554558707 383141632 /nfs/dbraw/zinc/14/16/32/383141632.db2.gz LMBBGGNNWZNFEW-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000247096588 383142590 /nfs/dbraw/zinc/14/25/90/383142590.db2.gz PTCGRTCFPSPGEO-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000247095955 383142805 /nfs/dbraw/zinc/14/28/05/383142805.db2.gz OHPNNJYLZRHFKS-KYJSFNMBSA-N 2 0 290.451 2.866 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCC=C(C)C)CC[NH2+]CC1 ZINC000423399231 383082234 /nfs/dbraw/zinc/08/22/34/383082234.db2.gz UHIGDQDPQXJCCW-HNNXBMFYSA-N 2 0 268.445 2.727 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423402661 383083220 /nfs/dbraw/zinc/08/32/20/383083220.db2.gz ROLJVTRNTMFBPF-NJAFHUGGSA-N 2 0 290.451 2.815 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1(CC)CC ZINC000423399789 383083399 /nfs/dbraw/zinc/08/33/99/383083399.db2.gz VBYPTAGRMCCSDV-ZQDZILKHSA-N 2 0 268.445 2.830 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423403532 383084502 /nfs/dbraw/zinc/08/45/02/383084502.db2.gz YGWOACQZWFCORN-NYTXWWLZSA-N 2 0 276.424 2.917 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000423406215 383085676 /nfs/dbraw/zinc/08/56/76/383085676.db2.gz ULMUOLFLERDCIU-MDZLAQPJSA-N 2 0 252.427 2.959 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424117 383090462 /nfs/dbraw/zinc/09/04/62/383090462.db2.gz MNDYTCFFNUDUKX-KKUMJFAQSA-N 2 0 261.413 2.806 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000423422331 383090560 /nfs/dbraw/zinc/09/05/60/383090560.db2.gz KYDOVNVNSKWHBT-BFYDXBDKSA-N 2 0 298.434 2.854 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000423427019 383091810 /nfs/dbraw/zinc/09/18/10/383091810.db2.gz FMAYJZJTKDLKDF-BBRMVZONSA-N 2 0 291.439 2.615 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000423426036 383091893 /nfs/dbraw/zinc/09/18/93/383091893.db2.gz OWBZBUVUNQMHFY-KLHDSHLOSA-N 2 0 282.472 2.933 20 0 CFADRP CCc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C(C)C)cc1 ZINC000423425495 383091989 /nfs/dbraw/zinc/09/19/89/383091989.db2.gz GXDPOJJFDIMRKF-VVLHAWIVSA-N 2 0 258.409 2.754 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423429748 383092592 /nfs/dbraw/zinc/09/25/92/383092592.db2.gz KNNDNYGMDUUONE-KGLIPLIRSA-N 2 0 263.429 2.921 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423429768 383092598 /nfs/dbraw/zinc/09/25/98/383092598.db2.gz KOJPGYHFZKJRDY-GHMZBOCLSA-N 2 0 284.425 2.703 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000423432781 383093464 /nfs/dbraw/zinc/09/34/64/383093464.db2.gz JIEBOOBRMIVRMP-XFBWCDHKSA-N 2 0 262.372 2.864 20 0 CFADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000552931195 383094322 /nfs/dbraw/zinc/09/43/22/383094322.db2.gz GJTHKXUGKAGBJN-SJORKVTESA-N 2 0 280.456 2.677 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423433189 383094593 /nfs/dbraw/zinc/09/45/93/383094593.db2.gz NABCHDXFMLWWIK-KLHDSHLOSA-N 2 0 268.445 2.689 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C(C)C)cc1 ZINC000423435225 383094990 /nfs/dbraw/zinc/09/49/90/383094990.db2.gz DMFUGIQHKSIKFU-TYNCELHUSA-N 2 0 250.386 2.718 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C(C)C ZINC000423441545 383096861 /nfs/dbraw/zinc/09/68/61/383096861.db2.gz PGJRANAOHKJAIS-ISTRZQFTSA-N 2 0 290.455 2.811 20 0 CFADRP CC1(C)CCc2ccccc2[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423440411 383096913 /nfs/dbraw/zinc/09/69/13/383096913.db2.gz SXVRIZHPTZPIIQ-TWMKSMIVSA-N 2 0 270.420 2.898 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423444119 383098088 /nfs/dbraw/zinc/09/80/88/383098088.db2.gz AVWNFHOWBOSCOM-LBPRGKRZSA-N 2 0 297.393 2.651 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccs1 ZINC000423445348 383099041 /nfs/dbraw/zinc/09/90/41/383099041.db2.gz RURVOZMCDWGBEY-WCFLWFBJSA-N 2 0 250.411 2.787 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423455965 383102212 /nfs/dbraw/zinc/10/22/12/383102212.db2.gz NCSPWVOESHDDJL-BXUZGUMPSA-N 2 0 253.365 2.635 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423457666 383103089 /nfs/dbraw/zinc/10/30/89/383103089.db2.gz JADBNCJAECNMQE-GZBFAFLISA-N 2 0 290.407 2.626 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423460251 383104060 /nfs/dbraw/zinc/10/40/60/383104060.db2.gz MEDZDOYOCFCALP-NOLJZWGESA-N 2 0 289.423 2.813 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)[C@@H]1OC ZINC000423462331 383104092 /nfs/dbraw/zinc/10/40/92/383104092.db2.gz DORYVOWHHBJYGX-LJIZCISZSA-N 2 0 282.472 2.933 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423460249 383104168 /nfs/dbraw/zinc/10/41/68/383104168.db2.gz MEDZDOYOCFCALP-DUVNUKRYSA-N 2 0 289.423 2.813 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423460250 383104188 /nfs/dbraw/zinc/10/41/88/383104188.db2.gz MEDZDOYOCFCALP-JGGQBBKZSA-N 2 0 289.423 2.813 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000423462372 383104397 /nfs/dbraw/zinc/10/43/97/383104397.db2.gz PAAOSDCIFKNZOA-GZBFAFLISA-N 2 0 264.417 2.632 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cnn1C(C)C ZINC000423463920 383104998 /nfs/dbraw/zinc/10/49/98/383104998.db2.gz GAZNAJUBSZAIAS-QEJZJMRPSA-N 2 0 278.444 2.941 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423464857 383106459 /nfs/dbraw/zinc/10/64/59/383106459.db2.gz RGPFTEUUDHZZCW-ZENOOKHLSA-N 2 0 274.408 2.790 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423474571 383110830 /nfs/dbraw/zinc/11/08/30/383110830.db2.gz RHFWXJUDYNSLJL-ZYHUDNBSSA-N 2 0 274.330 2.963 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000423477475 383112058 /nfs/dbraw/zinc/11/20/58/383112058.db2.gz JZKIIVDTGUKAMF-KGLIPLIRSA-N 2 0 292.423 2.887 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423483045 383113789 /nfs/dbraw/zinc/11/37/89/383113789.db2.gz PRMQFGLWVVZVKK-CABCVRRESA-N 2 0 275.440 2.935 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000338998758 383114398 /nfs/dbraw/zinc/11/43/98/383114398.db2.gz DHUPEOVEXHQYFA-QGZVFWFLSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423482037 383114380 /nfs/dbraw/zinc/11/43/80/383114380.db2.gz XMOYODXPKFUJEZ-FXUDXRNXSA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423486109 383116562 /nfs/dbraw/zinc/11/65/62/383116562.db2.gz BMLHRAXWBCPZMI-GJZGRUSLSA-N 2 0 270.461 2.805 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C1CCCCC1 ZINC000339003820 383117372 /nfs/dbraw/zinc/11/73/72/383117372.db2.gz ZLYJQMAEKYZTEG-INIZCTEOSA-N 2 0 296.499 2.981 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(C)o1 ZINC000519381381 383212643 /nfs/dbraw/zinc/21/26/43/383212643.db2.gz CGCPDUZIGPWOBW-USXIJHARSA-N 2 0 291.439 2.734 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1conc1C ZINC000339177093 383177015 /nfs/dbraw/zinc/17/70/15/383177015.db2.gz MSRIURCHUNISDL-LBPRGKRZSA-N 2 0 253.390 2.583 20 0 CFADRP CCC([NH3+])(CC)CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424085729 383177742 /nfs/dbraw/zinc/17/77/42/383177742.db2.gz ZMJJHUNVEVZFIF-OAHLLOKOSA-N 2 0 297.487 2.698 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449107167 383178123 /nfs/dbraw/zinc/17/81/23/383178123.db2.gz OTNXSZJRXUHIQL-ZFWWWQNUSA-N 2 0 250.386 2.532 20 0 CFADRP Cc1nocc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000339181351 383180457 /nfs/dbraw/zinc/18/04/57/383180457.db2.gz FMIGNCWIPPMALA-CYBMUJFWSA-N 2 0 265.401 2.727 20 0 CFADRP Cc1nocc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339185782 383181160 /nfs/dbraw/zinc/18/11/60/383181160.db2.gz ZCOGPVPJTMDJDD-KBPBESRZSA-N 2 0 279.428 2.831 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000519387747 383212978 /nfs/dbraw/zinc/21/29/78/383212978.db2.gz VJKVCQULGHPDDJ-MRXNPFEDSA-N 2 0 296.430 2.774 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449209316 383183723 /nfs/dbraw/zinc/18/37/23/383183723.db2.gz PHOGTQIIMLZQFT-ZJIFWQFVSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+](Cc1cccc2ccoc21)C[C@H]1CC[NH+](C)C1 ZINC000449262035 383188713 /nfs/dbraw/zinc/18/87/13/383188713.db2.gz AYFHYLVRGSCJAM-ZDUSSCGKSA-N 2 0 258.365 2.816 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000517746830 383192202 /nfs/dbraw/zinc/19/22/02/383192202.db2.gz CLYZEEKYUKBFJG-DLBZAZTESA-N 2 0 282.472 2.590 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339413105 383195061 /nfs/dbraw/zinc/19/50/61/383195061.db2.gz SXLWYOHKVOMQTR-HNNXBMFYSA-N 2 0 262.397 2.516 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339413241 383195315 /nfs/dbraw/zinc/19/53/15/383195315.db2.gz VWCZOYXGTWXPSG-INIZCTEOSA-N 2 0 276.424 2.777 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424366117 383205212 /nfs/dbraw/zinc/20/52/12/383205212.db2.gz IJAXHZFHLTVQQT-WRWGMCAJSA-N 2 0 264.335 2.967 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000247169995 383149731 /nfs/dbraw/zinc/14/97/31/383149731.db2.gz RDINDNBXCBKOTN-MAUKXSAKSA-N 2 0 298.434 2.692 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCO)CC1 ZINC000449065887 383159108 /nfs/dbraw/zinc/15/91/08/383159108.db2.gz XEYLTLKOVJAQFY-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495440 296343132 /nfs/dbraw/zinc/34/31/32/296343132.db2.gz LQGCCXZLSZMUFC-OAGGEKHMSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000566791851 383212108 /nfs/dbraw/zinc/21/21/08/383212108.db2.gz UOFACACIUXZHHB-SUYBPPKGSA-N 2 0 286.423 2.744 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000449403977 383267877 /nfs/dbraw/zinc/26/78/77/383267877.db2.gz SMMNOPNNCSGQIJ-MAUKXSAKSA-N 2 0 292.467 2.966 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000449403975 383268440 /nfs/dbraw/zinc/26/84/40/383268440.db2.gz SMMNOPNNCSGQIJ-CRAIPNDOSA-N 2 0 292.467 2.966 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000567373292 383269730 /nfs/dbraw/zinc/26/97/30/383269730.db2.gz FKDQSDSTOQHEFC-ZWKOTPCHSA-N 2 0 291.483 2.587 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cs1 ZINC000520734209 383271005 /nfs/dbraw/zinc/27/10/05/383271005.db2.gz NGJHMLRKHGGQLL-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000566833300 383215746 /nfs/dbraw/zinc/21/57/46/383215746.db2.gz WPBJQZZTEQGTFE-HIFRSBDPSA-N 2 0 264.438 2.707 20 0 CFADRP CC(C)n1nccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339500198 383218711 /nfs/dbraw/zinc/21/87/11/383218711.db2.gz YFQPOROIAUEZBL-UHFFFAOYSA-N 2 0 278.444 2.820 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3cccnc3o2)C1 ZINC000449327878 383219408 /nfs/dbraw/zinc/21/94/08/383219408.db2.gz DGUVEOQUPMWZPL-ZBFHGGJFSA-N 2 0 285.391 2.744 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1nccs1 ZINC000422910791 532977369 /nfs/dbraw/zinc/97/73/69/532977369.db2.gz JGUJBSLLMRWMSL-UKRRQHHQSA-N 2 0 289.448 2.624 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000567074049 383238939 /nfs/dbraw/zinc/23/89/39/383238939.db2.gz FIJRIOWYEYPHGL-AEFFLSMTSA-N 2 0 290.451 2.617 20 0 CFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000567074050 383239220 /nfs/dbraw/zinc/23/92/20/383239220.db2.gz FIJRIOWYEYPHGL-FUHWJXTLSA-N 2 0 290.451 2.617 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000567109005 383242485 /nfs/dbraw/zinc/24/24/85/383242485.db2.gz MEOUEOYTSATDFW-DOMZBBRYSA-N 2 0 275.396 2.519 20 0 CFADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567890108 383327109 /nfs/dbraw/zinc/32/71/09/383327109.db2.gz MOJNKZRRNGXXDN-DLBZAZTESA-N 2 0 296.414 2.760 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000567894570 383327422 /nfs/dbraw/zinc/32/74/22/383327422.db2.gz FKNBULCHVIYIHV-KRWDZBQOSA-N 2 0 252.361 2.922 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000567915272 383330812 /nfs/dbraw/zinc/33/08/12/383330812.db2.gz MNQQJNGUOUDOAJ-XDYICZGBSA-N 2 0 264.344 2.507 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000339835389 383334994 /nfs/dbraw/zinc/33/49/94/383334994.db2.gz WVTSLMQZPXYGPN-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000634733275 383335382 /nfs/dbraw/zinc/33/53/82/383335382.db2.gz BMFFLPIHMBFYTH-HNNXBMFYSA-N 2 0 258.409 2.522 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000634733349 383335574 /nfs/dbraw/zinc/33/55/74/383335574.db2.gz DBOLFKSCDBHBEF-IRXDYDNUSA-N 2 0 272.436 2.912 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000634733091 383335617 /nfs/dbraw/zinc/33/56/17/383335617.db2.gz WZHKUYVNPFLVHO-ZNMIVQPWSA-N 2 0 268.445 2.558 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734122 383337070 /nfs/dbraw/zinc/33/70/70/383337070.db2.gz XLIOEKSORIVNTL-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000449510168 383345968 /nfs/dbraw/zinc/34/59/68/383345968.db2.gz KRYPSFVSOGWYPB-SJORKVTESA-N 2 0 284.488 2.738 20 0 CFADRP OCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248731150 383285538 /nfs/dbraw/zinc/28/55/38/383285538.db2.gz LIOFOEKSBUKCQJ-NNZMDNLPSA-N 2 0 288.435 2.544 20 0 CFADRP C(C[N@@H+]1CC[C@H](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000339685788 383287160 /nfs/dbraw/zinc/28/71/60/383287160.db2.gz HKSAKRPRZJQIHC-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@]2(C)CCCC[C@H]2C)CC1 ZINC000459608893 383291707 /nfs/dbraw/zinc/29/17/07/383291707.db2.gz IMJVGTYKBKOEDB-QZTJIDSGSA-N 2 0 295.515 2.961 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000459730705 383295029 /nfs/dbraw/zinc/29/50/29/383295029.db2.gz FEKMMOZSTKVPTH-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339719844 383296663 /nfs/dbraw/zinc/29/66/63/383296663.db2.gz VQNNNINFZNFXKT-QLFBSQMISA-N 2 0 250.430 2.981 20 0 CFADRP [NH3+]C[C@@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)C1CC1 ZINC000567638484 383296986 /nfs/dbraw/zinc/29/69/86/383296986.db2.gz GAYWKAQQUHPXTQ-FUHWJXTLSA-N 2 0 296.418 2.577 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000567638905 383297072 /nfs/dbraw/zinc/29/70/72/383297072.db2.gz UYVHNBDQOUHLOJ-WDEREUQCSA-N 2 0 252.324 2.697 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000567654804 383298701 /nfs/dbraw/zinc/29/87/01/383298701.db2.gz DCBKAMDLTVYCQF-WQVCFCJDSA-N 2 0 259.397 2.640 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)[C@H](C)C1 ZINC000248861250 383299347 /nfs/dbraw/zinc/29/93/47/383299347.db2.gz AMEKDZSUEPMNHF-HYVNUMGLSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248906250 383306670 /nfs/dbraw/zinc/30/66/70/383306670.db2.gz UWKNDLJEYLUTLH-OWCLPIDISA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634680168 383309869 /nfs/dbraw/zinc/30/98/69/383309869.db2.gz MYNNOJZHDYISNT-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1nc(C2(NCCc3ccncc3C)CCCC2)no1 ZINC000567760275 383313689 /nfs/dbraw/zinc/31/36/89/383313689.db2.gz QBZYRGWDZZJCSC-UHFFFAOYSA-N 2 0 286.379 2.683 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1OC ZINC000248991569 383315056 /nfs/dbraw/zinc/31/50/56/383315056.db2.gz NNQBCGAORZIIEV-BMRXWSCTSA-N 2 0 280.456 2.795 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC2(CCC2)C1 ZINC000449472857 383315251 /nfs/dbraw/zinc/31/52/51/383315251.db2.gz AUZYZWPVHGLDBH-OWCLPIDISA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000248997029 383315224 /nfs/dbraw/zinc/31/52/24/383315224.db2.gz PGEYVEAEIZUWFT-NUIAMIPMSA-N 2 0 293.499 2.569 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000567786195 383315456 /nfs/dbraw/zinc/31/54/56/383315456.db2.gz NQWOTDVMDZEGAP-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000521993057 383319659 /nfs/dbraw/zinc/31/96/59/383319659.db2.gz WQYZXFZLRQXLSS-JKSUJKDBSA-N 2 0 267.461 2.548 20 0 CFADRP CSC1(C[NH2+][C@H](C(C)C)C2CC2)CC[NH+](C)CC1 ZINC000522040162 383323692 /nfs/dbraw/zinc/32/36/92/383323692.db2.gz ZSXKLGDHYXVJEO-CQSZACIVSA-N 2 0 270.486 2.838 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000567870903 383324806 /nfs/dbraw/zinc/32/48/06/383324806.db2.gz WROYYJRNOAKRCV-UHFFFAOYSA-N 2 0 296.414 2.803 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CCOC1(C)C)C(C)C ZINC000340251691 383392383 /nfs/dbraw/zinc/39/23/83/383392383.db2.gz UCUBHWNCLCRRQY-AWEZNQCLSA-N 2 0 256.434 2.652 20 0 CFADRP C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000251858534 383397462 /nfs/dbraw/zinc/39/74/62/383397462.db2.gz SFALZHVSVOWIKM-IUODEOHRSA-N 2 0 271.364 2.511 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000478917432 383398158 /nfs/dbraw/zinc/39/81/58/383398158.db2.gz LICFRFRDZIEKGQ-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000568415085 383401368 /nfs/dbraw/zinc/40/13/68/383401368.db2.gz GJHIFGOKYINZEI-CHWSQXEVSA-N 2 0 267.442 2.634 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568413114 383401497 /nfs/dbraw/zinc/40/14/97/383401497.db2.gz UYLFIZNPSXREBN-LSDHHAIUSA-N 2 0 264.438 2.909 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000568415086 383401984 /nfs/dbraw/zinc/40/19/84/383401984.db2.gz GJHIFGOKYINZEI-OLZOCXBDSA-N 2 0 267.442 2.634 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423255803 532983440 /nfs/dbraw/zinc/98/34/40/532983440.db2.gz CUMQINXUVGQTJB-KBPBESRZSA-N 2 0 292.423 2.744 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000568075466 383356511 /nfs/dbraw/zinc/35/65/11/383356511.db2.gz YVSLEWPTPMGVHJ-SHWKFHJASA-N 2 0 292.427 2.511 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000468559353 383362283 /nfs/dbraw/zinc/36/22/83/383362283.db2.gz HNWJCWXAQMMBLC-HOTGVXAUSA-N 2 0 282.472 2.636 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249957817 383368040 /nfs/dbraw/zinc/36/80/40/383368040.db2.gz CLRHAOPXTAHJQA-DOTOQJQBSA-N 2 0 281.488 2.748 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340174691 383368666 /nfs/dbraw/zinc/36/86/66/383368666.db2.gz SSPKPPDACLVXPO-KRWDZBQOSA-N 2 0 293.499 2.715 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000568181504 383369300 /nfs/dbraw/zinc/36/93/00/383369300.db2.gz VDRZAQFVCLWXHQ-IRXDYDNUSA-N 2 0 290.451 2.567 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000425338815 383374137 /nfs/dbraw/zinc/37/41/37/383374137.db2.gz QIKJKPNNWSIYDW-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250340535 383374681 /nfs/dbraw/zinc/37/46/81/383374681.db2.gz CDEJSUSRTJJDPN-OKZBNKHCSA-N 2 0 287.451 2.506 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250544153 383377840 /nfs/dbraw/zinc/37/78/40/383377840.db2.gz XKYDACOGXVRODD-KZNAEPCWSA-N 2 0 288.435 2.966 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568248351 383381431 /nfs/dbraw/zinc/38/14/31/383381431.db2.gz OIKLSCBGLAAJTK-ROUUACIJSA-N 2 0 289.467 2.886 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C1 ZINC000568247866 383381583 /nfs/dbraw/zinc/38/15/83/383381583.db2.gz ZKVWCXXAMDOEJM-QWRGUYRKSA-N 2 0 286.778 2.717 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1 ZINC000340208715 383381982 /nfs/dbraw/zinc/38/19/82/383381982.db2.gz GGOYXKONLHMUOL-HRCADAONSA-N 2 0 298.471 2.818 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250965274 383383746 /nfs/dbraw/zinc/38/37/46/383383746.db2.gz BUHWYLCZDXOTPH-UAGQMJEPSA-N 2 0 288.435 2.843 20 0 CFADRP C(COC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251074254 383384645 /nfs/dbraw/zinc/38/46/45/383384645.db2.gz GDOQWWKYOQYNTP-BRWVUGGUSA-N 2 0 280.456 2.846 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000474734601 383384759 /nfs/dbraw/zinc/38/47/59/383384759.db2.gz UMSDUAJEOBFFRL-QZTJIDSGSA-N 2 0 296.499 2.885 20 0 CFADRP Cc1nc(CNCc2cccc(-n3ccnc3)c2)[nH]c1C ZINC000568273638 383385829 /nfs/dbraw/zinc/38/58/29/383385829.db2.gz VORHMVJTXLXASQ-UHFFFAOYSA-N 2 0 281.363 2.502 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000634955505 383423047 /nfs/dbraw/zinc/42/30/47/383423047.db2.gz ISMBWDFTWFATKJ-UHFFFAOYSA-N 2 0 285.391 2.676 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)on1 ZINC000450468744 383423304 /nfs/dbraw/zinc/42/33/04/383423304.db2.gz PCHDZAFCEUCBAV-GOEBONIOSA-N 2 0 293.455 2.974 20 0 CFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H]1CCCC[NH+]1C(C)C ZINC000450478219 383427799 /nfs/dbraw/zinc/42/77/99/383427799.db2.gz DYGYYAHMBIXERV-KURKYZTESA-N 2 0 293.499 2.808 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC2CCOCC2)CC1 ZINC000568711953 383428656 /nfs/dbraw/zinc/42/86/56/383428656.db2.gz KRPITGZBSOBNKX-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703353 383429280 /nfs/dbraw/zinc/42/92/80/383429280.db2.gz ZUKIFFNJCUYLCS-BMFZPTHFSA-N 2 0 276.399 2.973 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1ccncc1F ZINC000340469535 383429780 /nfs/dbraw/zinc/42/97/80/383429780.db2.gz KJLBLLWZLCZOEO-LBPRGKRZSA-N 2 0 253.365 2.602 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428469694 383481008 /nfs/dbraw/zinc/48/10/08/383481008.db2.gz WBAKVUOGHZBAAQ-HNNXBMFYSA-N 2 0 290.455 2.900 20 0 CFADRP C[C@@H](C[N@H+](C)CCC[NH3+])c1cccc(Br)c1 ZINC000568749500 383432659 /nfs/dbraw/zinc/43/26/59/383432659.db2.gz OYVUWAHJVLUCLT-NSHDSACASA-N 2 0 285.229 2.833 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473904 383432818 /nfs/dbraw/zinc/43/28/18/383432818.db2.gz FDIMUMQVKCZEDB-MRXNPFEDSA-N 2 0 278.444 2.517 20 0 CFADRP CCc1nc(C)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000428255820 383438236 /nfs/dbraw/zinc/43/82/36/383438236.db2.gz LRCWUPPDDFBASC-OAHLLOKOSA-N 2 0 291.439 2.853 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000340491426 383441214 /nfs/dbraw/zinc/44/12/14/383441214.db2.gz ZTSRQFIVRQBENU-QGZVFWFLSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc2nccnc2c1 ZINC000634986181 383444931 /nfs/dbraw/zinc/44/49/31/383444931.db2.gz ODWMULNGXVMCLZ-CQSZACIVSA-N 2 0 284.407 2.592 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253184076 383447000 /nfs/dbraw/zinc/44/70/00/383447000.db2.gz HBRKALGIEKSUAP-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340508949 383448695 /nfs/dbraw/zinc/44/86/95/383448695.db2.gz IVFIRBSUJSZPBL-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc2s1 ZINC000634999204 383455960 /nfs/dbraw/zinc/45/59/60/383455960.db2.gz REQOITRGXPMQTI-ZWNOBZJWSA-N 2 0 275.421 2.631 20 0 CFADRP COc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)ccc2c1 ZINC000634999841 383457732 /nfs/dbraw/zinc/45/77/32/383457732.db2.gz ANGQOFMWICRAET-CXAGYDPISA-N 2 0 284.403 2.875 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000635003486 383459486 /nfs/dbraw/zinc/45/94/86/383459486.db2.gz DLIIJZYQFYUBBQ-HFBAOOFYSA-N 2 0 277.387 2.779 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000635004453 383460570 /nfs/dbraw/zinc/46/05/70/383460570.db2.gz OSGJTNHMDGTCLD-OJDYBEQGSA-N 2 0 296.361 2.654 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1N(C)C ZINC000635007136 383462944 /nfs/dbraw/zinc/46/29/44/383462944.db2.gz USAYEKZQWPTYEL-KKUMJFAQSA-N 2 0 275.440 2.921 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635008096 383464167 /nfs/dbraw/zinc/46/41/67/383464167.db2.gz QPJLOMIKJJUCIL-SJORKVTESA-N 2 0 260.425 2.971 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000635008947 383465170 /nfs/dbraw/zinc/46/51/70/383465170.db2.gz FQGBIAHWWQUUPC-KKUMJFAQSA-N 2 0 250.430 2.933 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000635009313 383465174 /nfs/dbraw/zinc/46/51/74/383465174.db2.gz UPCARKFELGYZSJ-RHSMWYFYSA-N 2 0 286.423 2.514 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000635008949 383465276 /nfs/dbraw/zinc/46/52/76/383465276.db2.gz FQGBIAHWWQUUPC-SOUVJXGZSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(O)c1 ZINC000635009620 383465580 /nfs/dbraw/zinc/46/55/80/383465580.db2.gz JGLASZXJDHQDMJ-ZDUSSCGKSA-N 2 0 282.387 2.889 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(O)c1 ZINC000635009619 383465724 /nfs/dbraw/zinc/46/57/24/383465724.db2.gz JGLASZXJDHQDMJ-CYBMUJFWSA-N 2 0 282.387 2.889 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000635009214 383465875 /nfs/dbraw/zinc/46/58/75/383465875.db2.gz XIKYIHYBBPJVTR-CABCVRRESA-N 2 0 261.413 2.901 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000635010391 383466494 /nfs/dbraw/zinc/46/64/94/383466494.db2.gz ZOSUMEYAPKVLDE-QZTJIDSGSA-N 2 0 290.451 2.741 20 0 CFADRP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635011381 383467465 /nfs/dbraw/zinc/46/74/65/383467465.db2.gz NMRIKMKSGTUIJE-DZGCQCFKSA-N 2 0 261.413 2.819 20 0 CFADRP CC[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000635012230 383467933 /nfs/dbraw/zinc/46/79/33/383467933.db2.gz JVPGVVACKPMLPQ-JYJNAYRXSA-N 2 0 280.456 2.846 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)s1 ZINC000635012567 383468171 /nfs/dbraw/zinc/46/81/71/383468171.db2.gz WKWAWGGECDRFAG-LLVKDONJSA-N 2 0 287.432 2.948 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(CO)c1 ZINC000635012081 383468682 /nfs/dbraw/zinc/46/86/82/383468682.db2.gz SZMZZDVXBOLLDE-AWEZNQCLSA-N 2 0 296.414 2.675 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000635013105 383469375 /nfs/dbraw/zinc/46/93/75/383469375.db2.gz ZJDIRWHFHCBMNP-AWEZNQCLSA-N 2 0 281.403 2.887 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635013146 383469406 /nfs/dbraw/zinc/46/94/06/383469406.db2.gz RAMLKPKHIVMODC-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012850 383469685 /nfs/dbraw/zinc/46/96/85/383469685.db2.gz WFZOBLZEIMOPBE-UONOGXRCSA-N 2 0 261.413 2.819 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012848 383469857 /nfs/dbraw/zinc/46/98/57/383469857.db2.gz WFZOBLZEIMOPBE-KGLIPLIRSA-N 2 0 261.413 2.819 20 0 CFADRP CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635024291 383474739 /nfs/dbraw/zinc/47/47/39/383474739.db2.gz VXCXJPOUNWUYIF-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)C1CC[NH+](C)CC1 ZINC000635024329 383474800 /nfs/dbraw/zinc/47/48/00/383474800.db2.gz WLWUKCITQFNHNB-GDBMZVCRSA-N 2 0 287.451 2.906 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000635024374 383474899 /nfs/dbraw/zinc/47/48/99/383474899.db2.gz XIIIZWUOWPDWQP-CABCVRRESA-N 2 0 255.365 2.594 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000428464156 383478601 /nfs/dbraw/zinc/47/86/01/383478601.db2.gz TYSKMYZEZVZIFX-BQFCYCMXSA-N 2 0 290.451 2.912 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(COC)CCC2)[C@H](C)C1 ZINC000340438155 383419754 /nfs/dbraw/zinc/41/97/54/383419754.db2.gz AAGJWJSUJWVYIJ-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000480748610 383420314 /nfs/dbraw/zinc/42/03/14/383420314.db2.gz XSSXWYIGMQPSPY-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000261707171 383547101 /nfs/dbraw/zinc/54/71/01/383547101.db2.gz DIALHNRRXNCHRN-UHFFFAOYSA-N 2 0 286.379 2.780 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261719938 383548102 /nfs/dbraw/zinc/54/81/02/383548102.db2.gz FSIWRFFNKTXAEJ-DJIMGWMZSA-N 2 0 258.409 2.864 20 0 CFADRP CC[C@H](C)c1nnc([C@@H](C)NC2CC[NH+](C(C)C)CC2)[nH]1 ZINC000488470022 383548280 /nfs/dbraw/zinc/54/82/80/383548280.db2.gz ZZBXGYQXJZRJGJ-QWHCGFSZSA-N 2 0 293.459 2.842 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261724461 383548766 /nfs/dbraw/zinc/54/87/66/383548766.db2.gz QLMXCYGTLWWLEC-KRWDZBQOSA-N 2 0 292.423 2.525 20 0 CFADRP COc1ccc2cc(CN3CC[C@H]([NH3+])[C@@H]3C)ccc2c1 ZINC000261736740 383549583 /nfs/dbraw/zinc/54/95/83/383549583.db2.gz LPRDARLRFORZAT-SJCJKPOMSA-N 2 0 270.376 2.770 20 0 CFADRP C/C(Cl)=C\C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000528349607 383498343 /nfs/dbraw/zinc/49/83/43/383498343.db2.gz IFYQTHMPQJNKTR-YIXHJXPBSA-N 2 0 256.821 2.937 20 0 CFADRP CCOC(=O)CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000260172444 383504940 /nfs/dbraw/zinc/50/49/40/383504940.db2.gz TZXJFKZDCAFQNA-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP CC1(C)CC(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000528369480 383505628 /nfs/dbraw/zinc/50/56/28/383505628.db2.gz ZRICLFLZNMLBJJ-UHFFFAOYSA-N 2 0 294.483 2.857 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569566717 383512807 /nfs/dbraw/zinc/51/28/07/383512807.db2.gz XKUPZYQJKBKVQJ-KMFMINBZSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000261569812 383514792 /nfs/dbraw/zinc/51/47/92/383514792.db2.gz KBAPFYGFHOSOKD-CQSZACIVSA-N 2 0 254.324 2.795 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000261569790 383515132 /nfs/dbraw/zinc/51/51/32/383515132.db2.gz KBAPFYGFHOSOKD-AWEZNQCLSA-N 2 0 254.324 2.795 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000261590973 383521934 /nfs/dbraw/zinc/52/19/34/383521934.db2.gz UYAASEQTTGXLRC-GWCFXTLKSA-N 2 0 283.213 2.537 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488419814 383534015 /nfs/dbraw/zinc/53/40/15/383534015.db2.gz KNNQXSNHXBQHHR-LJISPDSOSA-N 2 0 252.446 2.989 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261751343 383551931 /nfs/dbraw/zinc/55/19/31/383551931.db2.gz CDQYBNVPSCRSRI-QGZVFWFLSA-N 2 0 290.455 2.736 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(-c2ccnn2C)c1 ZINC000261749274 383552007 /nfs/dbraw/zinc/55/20/07/383552007.db2.gz CCIHKSFHECPLCT-HUUCEWRRSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000261651662 383537260 /nfs/dbraw/zinc/53/72/60/383537260.db2.gz YITSUEHKGLEARG-DYVFJYSZSA-N 2 0 254.377 2.927 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000569938062 383552026 /nfs/dbraw/zinc/55/20/26/383552026.db2.gz RKWGKJUOMPUITI-INIZCTEOSA-N 2 0 284.407 2.775 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000341043553 383541431 /nfs/dbraw/zinc/54/14/31/383541431.db2.gz RTSPRZCJBZTAPP-ZWKOTPCHSA-N 2 0 290.451 2.820 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000429552249 383542797 /nfs/dbraw/zinc/54/27/97/383542797.db2.gz JBOXCRKJANNZKP-RCBQFDQVSA-N 2 0 289.423 2.943 20 0 CFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000569936949 383552430 /nfs/dbraw/zinc/55/24/30/383552430.db2.gz DRVSBQKEVLPVGB-WMZOPIPTSA-N 2 0 292.467 2.937 20 0 CFADRP Cc1cccc2nc(Cn3cnc4c3CCCC4)cn21 ZINC000450979024 383575620 /nfs/dbraw/zinc/57/56/20/383575620.db2.gz NYAGSIQMESPHTK-UHFFFAOYSA-N 2 0 266.348 2.766 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261906035 383577739 /nfs/dbraw/zinc/57/77/39/383577739.db2.gz WYHIEPNKTUTRPA-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261934647 383581724 /nfs/dbraw/zinc/58/17/24/383581724.db2.gz LYKZQHVSMJMETP-KRWDZBQOSA-N 2 0 274.408 2.646 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000570217238 383582695 /nfs/dbraw/zinc/58/26/95/383582695.db2.gz XIPBLWDIIYQSNN-UHFFFAOYSA-N 2 0 275.440 2.821 20 0 CFADRP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(-c2ccncc2)c1 ZINC000261943007 383582750 /nfs/dbraw/zinc/58/27/50/383582750.db2.gz DZEMYXNDULSXLW-IBGZPJMESA-N 2 0 293.414 2.934 20 0 CFADRP COc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)ccc1SC ZINC000261943022 383583239 /nfs/dbraw/zinc/58/32/39/383583239.db2.gz DZMYQSKCFWNDIN-INIZCTEOSA-N 2 0 292.448 2.603 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000261944953 383584783 /nfs/dbraw/zinc/58/47/83/383584783.db2.gz NGEUFLQQVKJXOY-UHFFFAOYSA-N 2 0 278.444 2.594 20 0 CFADRP Cc1nc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2s1 ZINC000261959797 383586827 /nfs/dbraw/zinc/58/68/27/383586827.db2.gz PCLSBJLVCRXUEL-UHFFFAOYSA-N 2 0 275.421 2.775 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3scnc3C3CC3)C[C@H]21 ZINC000261965515 383588253 /nfs/dbraw/zinc/58/82/53/383588253.db2.gz PUZOXTCVINNUDS-YNEHKIRRSA-N 2 0 277.437 2.580 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1[NH3+] ZINC000261969998 383589167 /nfs/dbraw/zinc/58/91/67/383589167.db2.gz QEAJBPLOKPLNEK-SUMWQHHRSA-N 2 0 274.408 2.645 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261991337 383591569 /nfs/dbraw/zinc/59/15/69/383591569.db2.gz SKHIDBIFIGMUOB-SMDDNHRTSA-N 2 0 282.815 2.908 20 0 CFADRP C[C@]1(C[NH+]2CCC(c3ccc(O)cc3)CC2)CC[NH2+]C1 ZINC000261992973 383592414 /nfs/dbraw/zinc/59/24/14/383592414.db2.gz KMFWWIPGJOGSIA-KRWDZBQOSA-N 2 0 274.408 2.571 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000262000950 383592432 /nfs/dbraw/zinc/59/24/32/383592432.db2.gz UCYISLASDNXCEQ-ZIAGYGMSSA-N 2 0 264.388 2.861 20 0 CFADRP Cc1nc([C@H]2CCCN2C[C@H]2CCC[NH2+]C2)cs1 ZINC000262029328 383595817 /nfs/dbraw/zinc/59/58/17/383595817.db2.gz WZIGNNHZBXZANB-GXTWGEPZSA-N 2 0 265.426 2.588 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000262028174 383596427 /nfs/dbraw/zinc/59/64/27/383596427.db2.gz WWXVZRZHDYGNHV-CYBMUJFWSA-N 2 0 280.387 2.785 20 0 CFADRP c1ccc(OCCCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430925761 383612361 /nfs/dbraw/zinc/61/23/61/383612361.db2.gz DSPOLMDAJJULCS-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP Cc1ccc([C@]2(C)CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000262050247 383599427 /nfs/dbraw/zinc/59/94/27/383599427.db2.gz ZLVMFXBUWIWIDB-GOSISDBHSA-N 2 0 272.436 2.958 20 0 CFADRP C[C@@]1(C[N@H+](CCc2ccc(F)cc2)C2CC2)CC[NH2+]C1 ZINC000262090681 383604109 /nfs/dbraw/zinc/60/41/09/383604109.db2.gz UUDJQHDYFAXHKL-QGZVFWFLSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261755437 383553966 /nfs/dbraw/zinc/55/39/66/383553966.db2.gz CLVARJNBACTFEQ-OLZOCXBDSA-N 2 0 264.388 2.988 20 0 CFADRP CC1(C)Cc2cccc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)c2O1 ZINC000261787331 383559924 /nfs/dbraw/zinc/55/99/24/383559924.db2.gz XNMKZDGYRJKHKH-HOCLYGCPSA-N 2 0 286.419 2.584 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000261787861 383561459 /nfs/dbraw/zinc/56/14/59/383561459.db2.gz FZHIHHMJIYNERS-XUJVJEKNSA-N 2 0 250.361 2.598 20 0 CFADRP Cc1ccc([C@]2(C)CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261821132 383565445 /nfs/dbraw/zinc/56/54/45/383565445.db2.gz IHSHLVRISNAXPZ-SJLPKXTDSA-N 2 0 272.436 2.958 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1CC(F)(F)C1 ZINC000423160484 532993030 /nfs/dbraw/zinc/99/30/30/532993030.db2.gz HLLKDMSXPRJKSE-DOMZBBRYSA-N 2 0 282.378 2.970 20 0 CFADRP Cc1ccc(SCC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1C ZINC000430919352 383611054 /nfs/dbraw/zinc/61/10/54/383611054.db2.gz KQYSPQMMVBWJIJ-AWEZNQCLSA-N 2 0 264.438 2.676 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)C1 ZINC000570826592 383640022 /nfs/dbraw/zinc/64/00/22/383640022.db2.gz HTIJQWVNFVTBAI-RBSFLKMASA-N 2 0 293.480 2.745 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[NH2+]C(C)C ZINC000570918470 383646987 /nfs/dbraw/zinc/64/69/87/383646987.db2.gz ORHWZNSWYAZIQT-CQSZACIVSA-N 2 0 280.387 2.799 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430940760 383613711 /nfs/dbraw/zinc/61/37/11/383613711.db2.gz QYWFHJXFTYKVFC-INIZCTEOSA-N 2 0 268.404 2.924 20 0 CFADRP CSc1ccc(OCC[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430936673 383614273 /nfs/dbraw/zinc/61/42/73/383614273.db2.gz VRPMSCZLHDHDAO-ZDUSSCGKSA-N 2 0 294.464 2.847 20 0 CFADRP COc1cccc(CCC[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430952455 383615189 /nfs/dbraw/zinc/61/51/89/383615189.db2.gz ZAFPZRVPOISAJV-AWEZNQCLSA-N 2 0 276.424 2.687 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430948245 383615455 /nfs/dbraw/zinc/61/54/55/383615455.db2.gz HRWMDSWWNZGZTM-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262318585 383616844 /nfs/dbraw/zinc/61/68/44/383616844.db2.gz DWBXBBGSRPARRD-KBPBESRZSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430957184 383616949 /nfs/dbraw/zinc/61/69/49/383616949.db2.gz RDDHRGAWNQKWFF-HNNXBMFYSA-N 2 0 284.403 2.889 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430970880 383617286 /nfs/dbraw/zinc/61/72/86/383617286.db2.gz IYDXBRAHSJQOOG-PBHICJAKSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430974355 383618112 /nfs/dbraw/zinc/61/81/12/383618112.db2.gz YWXIHJLWQHZZAO-SWLSCSKDSA-N 2 0 266.816 2.942 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000570626377 383619389 /nfs/dbraw/zinc/61/93/89/383619389.db2.gz KNGGVJJNFIDWGW-LTDKPHRXSA-N 2 0 290.451 2.613 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431014835 383623313 /nfs/dbraw/zinc/62/33/13/383623313.db2.gz PYJHEQSIFDYTAY-UHFFFAOYSA-N 2 0 288.435 2.839 20 0 CFADRP CC(C)C[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075024 383628075 /nfs/dbraw/zinc/62/80/75/383628075.db2.gz ZTPWZOVQCLGGTJ-GFCCVEGCSA-N 2 0 280.416 2.664 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087827 383629346 /nfs/dbraw/zinc/62/93/46/383629346.db2.gz CBZALGHTKDOPOP-NWDGAFQWSA-N 2 0 294.443 2.958 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000571226077 383675532 /nfs/dbraw/zinc/67/55/32/383675532.db2.gz IESWQCOUXFXNCM-JONQDZQNSA-N 2 0 268.445 2.830 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000572056291 383750885 /nfs/dbraw/zinc/75/08/85/383750885.db2.gz WXTHRDIMCOFMTG-CVEARBPZSA-N 2 0 276.424 2.884 20 0 CFADRP C(C[C@H]1CCOC1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000645808527 383755493 /nfs/dbraw/zinc/75/54/93/383755493.db2.gz VCBQXQCAIHNMQB-DLBZAZTESA-N 2 0 280.456 2.611 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccncn2)CC1 ZINC000453131989 383779209 /nfs/dbraw/zinc/77/92/09/383779209.db2.gz PTWPFPJXLNVBKX-OAHLLOKOSA-N 2 0 290.455 2.885 20 0 CFADRP Cc1cnc(CCN2CCC[C@H]([NH2+]C(C)C)C2)c(C)c1 ZINC000645827487 383761747 /nfs/dbraw/zinc/76/17/47/383761747.db2.gz GIQVNYXFKVEVSZ-INIZCTEOSA-N 2 0 275.440 2.703 20 0 CFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCC1 ZINC000453101238 383766412 /nfs/dbraw/zinc/76/64/12/383766412.db2.gz NNJFLKIEJGZSFO-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CCC1 ZINC000453107234 383768485 /nfs/dbraw/zinc/76/84/85/383768485.db2.gz KVWVVXPXGIHRQI-SJLPKXTDSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000453134485 383780337 /nfs/dbraw/zinc/78/03/37/383780337.db2.gz IRZCAAGMDZPRGP-HDMKZQKVSA-N 2 0 287.451 2.865 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000571106076 383665499 /nfs/dbraw/zinc/66/54/99/383665499.db2.gz WCWFOTDPNHVQHA-RBSFLKMASA-N 2 0 279.428 2.522 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCC2(OC)CCC2)CC1 ZINC000640015477 383672407 /nfs/dbraw/zinc/67/24/07/383672407.db2.gz JVARHUGYPBPOTE-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CCO[C@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)C1CC1 ZINC000640016085 383672834 /nfs/dbraw/zinc/67/28/34/383672834.db2.gz SMHFQAGUPZMWLF-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)nc1 ZINC000572712688 383809033 /nfs/dbraw/zinc/80/90/33/383809033.db2.gz QZPYGNXZMDZCSR-SFHVURJKSA-N 2 0 299.393 2.899 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000453236234 383811584 /nfs/dbraw/zinc/81/15/84/383811584.db2.gz MVYKMRZXSXTLJB-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccncc1 ZINC000453257440 383818897 /nfs/dbraw/zinc/81/88/97/383818897.db2.gz RYDJXMPTSMBMBQ-HNNXBMFYSA-N 2 0 293.480 2.950 20 0 CFADRP CC[C@H](C[N@H+](C)CCCC[NH+]1CCCCC1)OC ZINC000640534572 383819665 /nfs/dbraw/zinc/81/96/65/383819665.db2.gz PVJSJFOPQATKGV-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000640534089 383820169 /nfs/dbraw/zinc/82/01/69/383820169.db2.gz LICYGDBSHPRLDJ-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCn1cc(Cl)cn1 ZINC000640534112 383820250 /nfs/dbraw/zinc/82/02/50/383820250.db2.gz MDCFWIPUQJZQPA-UHFFFAOYSA-N 2 0 298.862 2.734 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000453138348 383780974 /nfs/dbraw/zinc/78/09/74/383780974.db2.gz QOSLYZSAFVCSDH-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1cnc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000645911477 383790075 /nfs/dbraw/zinc/79/00/75/383790075.db2.gz PCNNHLVDZNJVKH-SJPCQFCGSA-N 2 0 287.451 2.798 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000572571438 383794415 /nfs/dbraw/zinc/79/44/15/383794415.db2.gz BLXKGFNXURURFQ-QGZVFWFLSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436289378 383800545 /nfs/dbraw/zinc/80/05/45/383800545.db2.gz HYRSPCOMRWPTED-NXHRZFHOSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000453318401 383842484 /nfs/dbraw/zinc/84/24/84/383842484.db2.gz LQHPXBKJEVOGLL-XUXIUFHCSA-N 2 0 272.383 2.884 20 0 CFADRP CCc1nc(C[NH2+]CCCC[N@H+](C)C2CC2)cs1 ZINC000453592248 383863225 /nfs/dbraw/zinc/86/32/25/383863225.db2.gz DNVZWEDLLCNKFD-UHFFFAOYSA-N 2 0 267.442 2.670 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C1CC1 ZINC000453594376 383864957 /nfs/dbraw/zinc/86/49/57/383864957.db2.gz IIYFZALCOKYMEU-UHFFFAOYSA-N 2 0 288.395 2.634 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453599365 383868330 /nfs/dbraw/zinc/86/83/30/383868330.db2.gz QTFVRHFFGMHVMX-UHFFFAOYSA-N 2 0 278.444 2.736 20 0 CFADRP Cn1cnc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)ccc21 ZINC000453601077 383868656 /nfs/dbraw/zinc/86/86/56/383868656.db2.gz UFJYDDSDEZGPCU-UHFFFAOYSA-N 2 0 286.423 2.537 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646104322 383872290 /nfs/dbraw/zinc/87/22/90/383872290.db2.gz AADAKBHDLVXJPS-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@H](c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104531 383875221 /nfs/dbraw/zinc/87/52/21/383875221.db2.gz PSFPFEQBFMEKOW-QGZVFWFLSA-N 2 0 288.435 2.934 20 0 CFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000573137182 383878275 /nfs/dbraw/zinc/87/82/75/383878275.db2.gz GIFRFXLDGRCTIZ-MKVSYHDVSA-N 2 0 292.423 2.631 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000531716053 383910389 /nfs/dbraw/zinc/91/03/89/383910389.db2.gz WBBWPKZQNNCIAW-IWCQGFGOSA-N 2 0 258.409 2.862 20 0 CFADRP Fc1ccccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265448284 383919523 /nfs/dbraw/zinc/91/95/23/383919523.db2.gz BOYAIOPXPWJVHD-UHFFFAOYSA-N 2 0 259.328 2.928 20 0 CFADRP C[C@@H](CF)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000646215067 383920229 /nfs/dbraw/zinc/92/02/29/383920229.db2.gz UWHKXXNXSMKYJD-DZKIICNBSA-N 2 0 264.388 2.845 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C1 ZINC000573220590 383895496 /nfs/dbraw/zinc/89/54/96/383895496.db2.gz GRQUXYJLRRMKTC-MJVIPROJSA-N 2 0 264.344 2.509 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000422816803 533020861 /nfs/dbraw/zinc/02/08/61/533020861.db2.gz BMMCRZTYUJRPCD-FMKPAKJESA-N 2 0 270.461 2.935 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCCN1CC)C1CCOCC1 ZINC000532225284 383995347 /nfs/dbraw/zinc/99/53/47/383995347.db2.gz KJDUXBVDBKEHKQ-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000573479217 383937153 /nfs/dbraw/zinc/93/71/53/383937153.db2.gz UOHAGJGPBISVTQ-JKSUJKDBSA-N 2 0 290.451 2.777 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000573488791 383938931 /nfs/dbraw/zinc/93/89/31/383938931.db2.gz CPPGYPNEKYZECB-ZIAGYGMSSA-N 2 0 286.423 2.611 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000531936469 383944140 /nfs/dbraw/zinc/94/41/40/383944140.db2.gz KPCLJKDWNWQEJJ-MAUKXSAKSA-N 2 0 290.451 2.948 20 0 CFADRP CC(C)c1[nH+]c(CN(C)CCC[NH+](C)C)c2ccccn21 ZINC000573569933 383953960 /nfs/dbraw/zinc/95/39/60/383953960.db2.gz GVZIDERNWRETST-UHFFFAOYSA-N 2 0 288.439 2.841 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000531984606 383956891 /nfs/dbraw/zinc/95/68/91/383956891.db2.gz XFFHFAFBDZAXPC-DOTOQJQBSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)C1 ZINC000573863002 384003718 /nfs/dbraw/zinc/00/37/18/384003718.db2.gz WWSKSEYRTXNLDX-PMPSAXMXSA-N 2 0 273.424 2.515 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2c(OC)cccc2OC)CC1 ZINC000573988045 384026177 /nfs/dbraw/zinc/02/61/77/384026177.db2.gz WUTZPDNIDYFPSF-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000574159515 384053431 /nfs/dbraw/zinc/05/34/31/384053431.db2.gz YVTLTTPXPSFEIU-FGTMMUONSA-N 2 0 288.435 2.830 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000574158127 384053523 /nfs/dbraw/zinc/05/35/23/384053523.db2.gz KZPIRZAMXGOVHU-SFHVURJKSA-N 2 0 288.435 2.703 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2occc2C)CC1 ZINC000266152814 384096731 /nfs/dbraw/zinc/09/67/31/384096731.db2.gz KVZQJEUSGBZIDZ-UHFFFAOYSA-N 2 0 250.386 2.800 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641167606 384117898 /nfs/dbraw/zinc/11/78/98/384117898.db2.gz RYSCMHGNMLLQSF-UKRRQHHQSA-N 2 0 293.459 2.587 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)[C@@H](CO)C(C)C ZINC000574489642 384104595 /nfs/dbraw/zinc/10/45/95/384104595.db2.gz XKFMXWLZNCLHQD-IXDOHACOSA-N 2 0 284.488 2.740 20 0 CFADRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)C(C)(C)C[NH+](C)C ZINC000574512770 384108269 /nfs/dbraw/zinc/10/82/69/384108269.db2.gz WVOATQCLUYVHSX-AWEZNQCLSA-N 2 0 291.439 2.581 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2sccc2C)[C@@H](C)C1 ZINC000266144828 384093740 /nfs/dbraw/zinc/09/37/40/384093740.db2.gz VLBQIERJGZVRPR-QWHCGFSZSA-N 2 0 252.427 2.876 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000574584576 384120666 /nfs/dbraw/zinc/12/06/66/384120666.db2.gz IENINWLTXFKROB-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP COC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423148921 533036888 /nfs/dbraw/zinc/03/68/88/533036888.db2.gz GTIROEKCTKVUFL-DYEKYZERSA-N 2 0 284.831 2.785 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]CC2(C)CC2)c1 ZINC000574893080 384161493 /nfs/dbraw/zinc/16/14/93/384161493.db2.gz YOYZZTSYWBOORX-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP COc1cccc2c(NC[C@@H](C)[NH+](C)C)ccnc12 ZINC000277151164 384215257 /nfs/dbraw/zinc/21/52/57/384215257.db2.gz RMFPAWCNIDJTAZ-LLVKDONJSA-N 2 0 259.353 2.605 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)C1CC1 ZINC000266937125 384264178 /nfs/dbraw/zinc/26/41/78/384264178.db2.gz AZMQRMDELWOQAK-QGZVFWFLSA-N 2 0 290.451 2.505 20 0 CFADRP CO[C@](C)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000637905288 384264591 /nfs/dbraw/zinc/26/45/91/384264591.db2.gz KNNGNSXBVAQJBR-QGZVFWFLSA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@](C)(OC)C2CC2)CC1 ZINC000637906272 384266789 /nfs/dbraw/zinc/26/67/89/384266789.db2.gz TYZQEBSDZOZPDL-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CSc1ccc(C[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)o1 ZINC000641703745 384276554 /nfs/dbraw/zinc/27/65/54/384276554.db2.gz CXTSVCQXLBCNQE-STQMWFEESA-N 2 0 298.452 2.590 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641737615 384305638 /nfs/dbraw/zinc/30/56/38/384305638.db2.gz YNCHEXMCROAMON-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000637959166 384308761 /nfs/dbraw/zinc/30/87/61/384308761.db2.gz YHVJJUFEGGIYCL-UHFFFAOYSA-N 2 0 293.430 2.960 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000641732305 384302038 /nfs/dbraw/zinc/30/20/38/384302038.db2.gz HIHADTLQKNTOGZ-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641774263 384340331 /nfs/dbraw/zinc/34/03/31/384340331.db2.gz NYINVWBOXQPFLT-KRWDZBQOSA-N 2 0 288.435 2.574 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc2ccccc2c1 ZINC000267271092 384341676 /nfs/dbraw/zinc/34/16/76/384341676.db2.gz SJAUIRGJRVQGSF-HNAYVOBHSA-N 2 0 297.446 2.736 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc2ccccc2c1 ZINC000267271087 384341959 /nfs/dbraw/zinc/34/19/59/384341959.db2.gz SJAUIRGJRVQGSF-BEFAXECRSA-N 2 0 297.446 2.736 20 0 CFADRP CC[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000641797322 384362596 /nfs/dbraw/zinc/36/25/96/384362596.db2.gz ARJPOTBXIHIGQG-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP CCc1nc(C)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000641798524 384364173 /nfs/dbraw/zinc/36/41/73/384364173.db2.gz NNKRTQHTNRVXLO-UONOGXRCSA-N 2 0 277.412 2.509 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)ncn2C)[C@@H]1CCC[NH2+]CC1 ZINC000435382546 285104469 /nfs/dbraw/zinc/10/44/69/285104469.db2.gz DRIAJGADELPMOT-OAHLLOKOSA-N 2 0 286.423 2.537 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(F)cc2cccnc21 ZINC000641801138 384368979 /nfs/dbraw/zinc/36/89/79/384368979.db2.gz AKXSOGHJBFCKAA-KGLIPLIRSA-N 2 0 273.355 2.589 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277738921 384391923 /nfs/dbraw/zinc/39/19/23/384391923.db2.gz KAEMGOAXBRFZFD-HNNXBMFYSA-N 2 0 294.414 2.725 20 0 CFADRP COc1cc(OC)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1Cl ZINC000423228672 533059509 /nfs/dbraw/zinc/05/95/09/533059509.db2.gz DOOWDJVEGORQLB-VHSXEESVSA-N 2 0 286.803 2.745 20 0 CFADRP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423330465 533059990 /nfs/dbraw/zinc/05/99/90/533059990.db2.gz FZVVZDSKQIKUBF-NWDGAFQWSA-N 2 0 250.411 2.669 20 0 CFADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000638092713 384408534 /nfs/dbraw/zinc/40/85/34/384408534.db2.gz MAGPURWXAWVPFC-JTQLQIEISA-N 2 0 286.379 2.767 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)OC ZINC000638109120 384420554 /nfs/dbraw/zinc/42/05/54/384420554.db2.gz CMPOJIJWXBAHSC-VGWMRTNUSA-N 2 0 270.461 2.852 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000641818040 384378780 /nfs/dbraw/zinc/37/87/80/384378780.db2.gz CCOMLUMAFFQQOH-OAHLLOKOSA-N 2 0 291.439 2.757 20 0 CFADRP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000277732759 384390076 /nfs/dbraw/zinc/39/00/76/384390076.db2.gz JTORMTGBVNGQFA-HNNXBMFYSA-N 2 0 294.414 2.725 20 0 CFADRP CC[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC000642651239 384445293 /nfs/dbraw/zinc/44/52/93/384445293.db2.gz PHTRPNHCSVHHGA-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC[C@@](C)(C[N@H+](C)CC[C@H]1CCCC[NH+]1C)OC ZINC000638116807 384429188 /nfs/dbraw/zinc/42/91/88/384429188.db2.gz GXEANFHKTOFVIZ-CABCVRRESA-N 2 0 256.434 2.608 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3nccnc3c2)CCN1C ZINC000638118312 384431998 /nfs/dbraw/zinc/43/19/98/384431998.db2.gz XDTYXZAWRNKWCU-DZGCQCFKSA-N 2 0 284.407 2.544 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3nccnc3c2)CCN1C ZINC000638118314 384432440 /nfs/dbraw/zinc/43/24/40/384432440.db2.gz XDTYXZAWRNKWCU-UKRRQHHQSA-N 2 0 284.407 2.544 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCc2csc(C(C)C)n2)C1 ZINC000343951309 220280002 /nfs/dbraw/zinc/28/00/02/220280002.db2.gz MODKJNCBJJYOHH-OCCSQVGLSA-N 2 0 281.469 2.739 20 0 CFADRP CO[C@](C)(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000638177179 384472587 /nfs/dbraw/zinc/47/25/87/384472587.db2.gz ANHKHPIWGRCBIP-FHLIZLRMSA-N 2 0 292.467 2.750 20 0 CFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000643009746 384475341 /nfs/dbraw/zinc/47/53/41/384475341.db2.gz GQPDHHVWELGSQT-MFKMUULPSA-N 2 0 289.354 2.556 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000638181883 384476085 /nfs/dbraw/zinc/47/60/85/384476085.db2.gz ZDMCXEIWILNEDS-YJBOKZPZSA-N 2 0 296.418 2.546 20 0 CFADRP Fc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC000638186489 384479461 /nfs/dbraw/zinc/47/94/61/384479461.db2.gz VEMXHNYAIQWVFD-ZIAGYGMSSA-N 2 0 270.351 2.630 20 0 CFADRP Fc1cccc([C@@H]2CC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000643058192 384488226 /nfs/dbraw/zinc/48/82/26/384488226.db2.gz LNVCXWAIBVZHKL-BBRMVZONSA-N 2 0 262.372 2.962 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000278326679 384530440 /nfs/dbraw/zinc/53/04/40/384530440.db2.gz ASCWGHHZQRLURF-HNNXBMFYSA-N 2 0 284.831 2.959 20 0 CFADRP C[N@H+](CCC[NH2+]C1CC(n2cccn2)C1)Cc1ccccc1 ZINC000638311191 384548837 /nfs/dbraw/zinc/54/88/37/384548837.db2.gz XBAODRUDACYJFA-UHFFFAOYSA-N 2 0 298.434 2.698 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@@H](C)N1CCCC[C@@H]1C)C1CC1 ZINC000638359923 384582144 /nfs/dbraw/zinc/58/21/44/384582144.db2.gz FIYMLBUAEUVFQI-SQWLQELKSA-N 2 0 268.445 2.654 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000638362427 384587024 /nfs/dbraw/zinc/58/70/24/384587024.db2.gz ZVASRBWCUJAAIW-QRNKSROTSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000638381271 384608088 /nfs/dbraw/zinc/60/80/88/384608088.db2.gz KVYHQXKUJACVBA-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP CC[C@@](C)(C[NH2+]Cc1cccc(OCC[NH+](C)C)c1)OC ZINC000638380777 384608652 /nfs/dbraw/zinc/60/86/52/384608652.db2.gz DTEZRIRTTNIUKO-KRWDZBQOSA-N 2 0 294.439 2.532 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000638367076 384592292 /nfs/dbraw/zinc/59/22/92/384592292.db2.gz CCURYUVNDJLTCW-DLBZAZTESA-N 2 0 258.409 2.754 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CS1 ZINC000638371344 384598079 /nfs/dbraw/zinc/59/80/79/384598079.db2.gz QUDSSXOYJZCQHT-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638372787 384600500 /nfs/dbraw/zinc/60/05/00/384600500.db2.gz XWXGUCQYWUYIKN-NUWOQIAWSA-N 2 0 290.455 2.544 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000643499045 384663038 /nfs/dbraw/zinc/66/30/38/384663038.db2.gz PCCFMKXNCGZYFW-ABAIWWIYSA-N 2 0 250.361 2.648 20 0 CFADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000643499607 384665371 /nfs/dbraw/zinc/66/53/71/384665371.db2.gz GLVNLJJNJHWQBN-LJQANCHMSA-N 2 0 297.446 2.786 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000643499142 384665838 /nfs/dbraw/zinc/66/58/38/384665838.db2.gz XULNEUCUNRLRFM-CQSZACIVSA-N 2 0 252.789 2.917 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(C)C ZINC000643456917 384637146 /nfs/dbraw/zinc/63/71/46/384637146.db2.gz VIBLNWSICVOUGP-SOUVJXGZSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(C)c1 ZINC000643457090 384637638 /nfs/dbraw/zinc/63/76/38/384637638.db2.gz SUKXNBGPHGINFF-RYQLBKOJSA-N 2 0 290.451 2.578 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643462014 384642364 /nfs/dbraw/zinc/64/23/64/384642364.db2.gz UJRYPPCKSOHDHI-GUYJKWIASA-N 2 0 260.381 2.536 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643462015 384642760 /nfs/dbraw/zinc/64/27/60/384642760.db2.gz UJRYPPCKSOHDHI-KNPMLCFXSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460333 384642919 /nfs/dbraw/zinc/64/29/19/384642919.db2.gz RIMPXBYVDOGCQT-RKVPGOIHSA-N 2 0 283.419 2.733 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000643464510 384644141 /nfs/dbraw/zinc/64/41/41/384644141.db2.gz LSQTXAMABGEWGH-DOTOQJQBSA-N 2 0 275.440 2.833 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469234 384651026 /nfs/dbraw/zinc/65/10/26/384651026.db2.gz BOUBYEAFZFNLAC-GJZGRUSLSA-N 2 0 299.422 2.990 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000643474180 384653188 /nfs/dbraw/zinc/65/31/88/384653188.db2.gz MNDJHQRQKOFMJY-NNCLKIPCSA-N 2 0 294.483 2.971 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643478095 384654628 /nfs/dbraw/zinc/65/46/28/384654628.db2.gz ZHQWINDEJIIYDE-JLSDUUJJSA-N 2 0 272.436 2.912 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1F ZINC000643477589 384655338 /nfs/dbraw/zinc/65/53/38/384655338.db2.gz PMMHLSFIVWMEPC-WCQYABFASA-N 2 0 266.360 2.627 20 0 CFADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000643493739 384661475 /nfs/dbraw/zinc/66/14/75/384661475.db2.gz GFWRFLZYNIZXQI-VKJFTORMSA-N 2 0 290.451 2.994 20 0 CFADRP COc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)sn1 ZINC000638527875 384723715 /nfs/dbraw/zinc/72/37/15/384723715.db2.gz FQXVRENXJMUKFV-UHFFFAOYSA-N 2 0 297.468 2.898 20 0 CFADRP CO[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)C1CC1 ZINC000638527907 384724115 /nfs/dbraw/zinc/72/41/15/384724115.db2.gz LBLRLXQRVFWVEF-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CCC[NH2+]C1CC1 ZINC000643545038 384724182 /nfs/dbraw/zinc/72/41/82/384724182.db2.gz VSKPRBXWYOQIJI-LBPRGKRZSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545406 384724948 /nfs/dbraw/zinc/72/49/48/384724948.db2.gz MHJPUTGMBZTDFB-GFCCVEGCSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc2ccccc2n1C ZINC000638462927 384678625 /nfs/dbraw/zinc/67/86/25/384678625.db2.gz AQRMTQLLQQZSAQ-CYBMUJFWSA-N 2 0 259.397 2.608 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000643512412 384681682 /nfs/dbraw/zinc/68/16/82/384681682.db2.gz VQVOJEXFTNQSJL-UGUYLWEFSA-N 2 0 290.455 2.553 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000643511247 384682457 /nfs/dbraw/zinc/68/24/57/384682457.db2.gz CCEJMNXXQOZUSR-ZYHUDNBSSA-N 2 0 277.368 2.557 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000643512087 384683080 /nfs/dbraw/zinc/68/30/80/384683080.db2.gz KFRKLTIAESITOJ-DLOVCJGASA-N 2 0 253.415 2.620 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000643521977 384686573 /nfs/dbraw/zinc/68/65/73/384686573.db2.gz GCICAJVQRHSLGS-PWSUYJOCSA-N 2 0 267.442 2.807 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643547422 384726483 /nfs/dbraw/zinc/72/64/83/384726483.db2.gz FFXSGXGGZQDJOB-HUUCEWRRSA-N 2 0 259.397 2.797 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000643522332 384689381 /nfs/dbraw/zinc/68/93/81/384689381.db2.gz LRLXZRLKKBEPQQ-PVAVHDDUSA-N 2 0 273.424 2.840 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000643522329 384689549 /nfs/dbraw/zinc/68/95/49/384689549.db2.gz LRLXZRLKKBEPQQ-DJIMGWMZSA-N 2 0 273.424 2.840 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000643524151 384691171 /nfs/dbraw/zinc/69/11/71/384691171.db2.gz PNJOXTPUCGYONU-ZETOZRRWSA-N 2 0 266.335 2.812 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000268912307 384691890 /nfs/dbraw/zinc/69/18/90/384691890.db2.gz NBIVLWGSCDEYQP-HIFRSBDPSA-N 2 0 282.453 2.636 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000643523136 384692273 /nfs/dbraw/zinc/69/22/73/384692273.db2.gz YEKKWGWXYSEGQF-GOEBONIOSA-N 2 0 298.434 2.880 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000643524207 384693521 /nfs/dbraw/zinc/69/35/21/384693521.db2.gz VVBZDQBOAHFZLF-WWGRRREGSA-N 2 0 274.408 2.932 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000643524333 384694515 /nfs/dbraw/zinc/69/45/15/384694515.db2.gz ICOSQEYMAQOTCF-ZACQAIPSSA-N 2 0 258.409 2.794 20 0 CFADRP C[C@@H]([NH3+])CN[C@@H](C)c1ccc(Br)s1 ZINC000643525748 384694590 /nfs/dbraw/zinc/69/45/90/384694590.db2.gz DBWYMOCZURAEBC-RQJHMYQMSA-N 2 0 263.204 2.508 20 0 CFADRP [NH3+]C[C@@H](N[C@@H]1CCn2ccnc21)c1ccc2ccccc2c1 ZINC000643525145 384694773 /nfs/dbraw/zinc/69/47/73/384694773.db2.gz ZUYISAWQLGTVJG-IAGOWNOFSA-N 2 0 292.386 2.771 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](C)[NH3+] ZINC000643527626 384698211 /nfs/dbraw/zinc/69/82/11/384698211.db2.gz PMTYTZXDEUTCSV-GXTWGEPZSA-N 2 0 252.427 2.740 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000643528947 384703385 /nfs/dbraw/zinc/70/33/85/384703385.db2.gz RQJVJZSALMSPLH-IUCAKERBSA-N 2 0 261.196 2.861 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000643529003 384703738 /nfs/dbraw/zinc/70/37/38/384703738.db2.gz SMJLSESSKSOLLX-BPNCWPANSA-N 2 0 252.789 2.913 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2[NH2+]CCc3ccccc32)c2ccccc21 ZINC000643531657 384703988 /nfs/dbraw/zinc/70/39/88/384703988.db2.gz BPLJPQXLDRDZOG-GUDVDZBRSA-N 2 0 293.414 2.608 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CCCN2)C1CC[NH+](C)CC1 ZINC000643532055 384704389 /nfs/dbraw/zinc/70/43/89/384704389.db2.gz BNRHXBVNUQUPTE-CQSZACIVSA-N 2 0 287.451 2.865 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CCCN2)C1CC[NH+](C)CC1 ZINC000643532054 384704458 /nfs/dbraw/zinc/70/44/58/384704458.db2.gz BNRHXBVNUQUPTE-AWEZNQCLSA-N 2 0 287.451 2.865 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCC2 ZINC000643534290 384705774 /nfs/dbraw/zinc/70/57/74/384705774.db2.gz PVDSMNPAXHNDOV-GUYCJALGSA-N 2 0 270.420 2.968 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000643533824 384705855 /nfs/dbraw/zinc/70/58/55/384705855.db2.gz FTAWEZQCKZHGPY-DGCLKSJQSA-N 2 0 250.411 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CCC(F)(F)CC1 ZINC000643534742 384707216 /nfs/dbraw/zinc/70/72/16/384707216.db2.gz BKLGRHAETLBELS-YPMHNXCESA-N 2 0 272.383 2.932 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534810 384707904 /nfs/dbraw/zinc/70/79/04/384707904.db2.gz DDGJLSYKVYOTHP-RBSFLKMASA-N 2 0 280.456 2.702 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535971 384709290 /nfs/dbraw/zinc/70/92/90/384709290.db2.gz QJGUQKOHZJDUFZ-ZYHUDNBSSA-N 2 0 266.410 2.549 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535970 384709807 /nfs/dbraw/zinc/70/98/07/384709807.db2.gz QJGUQKOHZJDUFZ-PWSUYJOCSA-N 2 0 266.410 2.549 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535942 384709949 /nfs/dbraw/zinc/70/99/49/384709949.db2.gz QBKWLHNRTBQSJE-HOTGVXAUSA-N 2 0 288.460 2.749 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1C(C)C ZINC000643536767 384710704 /nfs/dbraw/zinc/71/07/04/384710704.db2.gz WIUYWVXHFYKOHH-SWLSCSKDSA-N 2 0 276.428 2.565 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000643536109 384712052 /nfs/dbraw/zinc/71/20/52/384712052.db2.gz RCQWFDYMARUZPJ-BXKDBHETSA-N 2 0 265.426 2.553 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643539270 384719584 /nfs/dbraw/zinc/71/95/84/384719584.db2.gz VDOAHYPDEQJCHJ-YMTOWFKASA-N 2 0 254.324 2.669 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000643542629 384721854 /nfs/dbraw/zinc/72/18/54/384721854.db2.gz UREWZBWDVMQIMN-YNEHKIRRSA-N 2 0 252.427 2.786 20 0 CFADRP CN(Cc1ccnn1-c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000279820294 384774381 /nfs/dbraw/zinc/77/43/81/384774381.db2.gz LZBHJUVWOOLYAP-MRXNPFEDSA-N 2 0 298.434 2.646 20 0 CFADRP COCC1(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CCC1 ZINC000638602556 384775503 /nfs/dbraw/zinc/77/55/03/384775503.db2.gz DJRXTQREIVJFIR-AWEZNQCLSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@](C)(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)OC ZINC000638602322 384775597 /nfs/dbraw/zinc/77/55/97/384775597.db2.gz BQGXQLJDNSMWGF-DZGCQCFKSA-N 2 0 258.450 2.758 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000643549109 384728909 /nfs/dbraw/zinc/72/89/09/384728909.db2.gz BAZCWSGXIQBMDW-AKHDSKFASA-N 2 0 284.447 2.912 20 0 CFADRP C[C@H](C[NH2+]C[C@@H](C)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000638548468 384737342 /nfs/dbraw/zinc/73/73/42/384737342.db2.gz BXYVGCMVLNJYMU-IAGOWNOFSA-N 2 0 295.515 2.676 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638562652 384741930 /nfs/dbraw/zinc/74/19/30/384741930.db2.gz AIOACLQNYZTYQF-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP CCC[C@H](C[NH2+]CC1CC[NH+](CCC)CC1)OC ZINC000638562813 384742130 /nfs/dbraw/zinc/74/21/30/384742130.db2.gz CCHSFBIJACPOQQ-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2CCSCC2)CC1 ZINC000638563218 384742360 /nfs/dbraw/zinc/74/23/60/384742360.db2.gz KAIYEZLWYCYFTO-UHFFFAOYSA-N 2 0 270.486 2.841 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000638564884 384744050 /nfs/dbraw/zinc/74/40/50/384744050.db2.gz KGAZSWYZHWEGOH-DGCLKSJQSA-N 2 0 260.372 2.742 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638565535 384744253 /nfs/dbraw/zinc/74/42/53/384744253.db2.gz PBVAMTDTCIFWHT-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423239878 533086762 /nfs/dbraw/zinc/08/67/62/533086762.db2.gz BTWKRVMLUGOWIT-WFASDCNBSA-N 2 0 282.815 2.617 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638666157 384822206 /nfs/dbraw/zinc/82/22/06/384822206.db2.gz IGEUIEVKRTVURI-HOCLYGCPSA-N 2 0 282.472 2.780 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000638682332 384831804 /nfs/dbraw/zinc/83/18/04/384831804.db2.gz ULZAYBFPDRVXHV-HZPDHXFCSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C1CC[NH+](C)CC1 ZINC000643899930 384784566 /nfs/dbraw/zinc/78/45/66/384784566.db2.gz UAFRQZJHLXMUGC-KCXAZCMYSA-N 2 0 250.430 2.743 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000644522333 384917763 /nfs/dbraw/zinc/91/77/63/384917763.db2.gz OBTMFGFUKUCQNO-MAUKXSAKSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000644532463 384921147 /nfs/dbraw/zinc/92/11/47/384921147.db2.gz RSUORPNSZODSRI-HOTGVXAUSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)[C@H](C)O ZINC000644532462 384921514 /nfs/dbraw/zinc/92/15/14/384921514.db2.gz RSUORPNSZODSRI-CVEARBPZSA-N 2 0 290.451 2.922 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)C1 ZINC000638788599 384921510 /nfs/dbraw/zinc/92/15/10/384921510.db2.gz LZHBQPWZDAJKHX-MGPQQGTHSA-N 2 0 274.399 2.988 20 0 CFADRP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000638836977 384968291 /nfs/dbraw/zinc/96/82/91/384968291.db2.gz MXWYZCXKOANCOC-UHFFFAOYSA-N 2 0 288.420 2.544 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000638837603 384970341 /nfs/dbraw/zinc/97/03/41/384970341.db2.gz VJGOGYRRGBJTNS-HIFRSBDPSA-N 2 0 291.464 2.782 20 0 CFADRP CCC[C@@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638852010 384987196 /nfs/dbraw/zinc/98/71/96/384987196.db2.gz TVUMDZMZJIMJIE-INIZCTEOSA-N 2 0 264.413 2.653 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cnccc2C)[C@H](C)C1 ZINC000289244924 197274181 /nfs/dbraw/zinc/27/41/81/197274181.db2.gz AYKGTUDMNCDVNC-SJLPKXTDSA-N 2 0 289.467 2.985 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000270183862 385005946 /nfs/dbraw/zinc/00/59/46/385005946.db2.gz BWBYSYVRKVRMJB-INIZCTEOSA-N 2 0 276.399 2.989 20 0 CFADRP CN1CC[C@H]([NH2+]C2CC(n3cccn3)C2)[C@H]1c1ccccc1 ZINC000638830722 384961593 /nfs/dbraw/zinc/96/15/93/384961593.db2.gz GGZFHZDKYANATE-ZGUYJTEBSA-N 2 0 296.418 2.622 20 0 CFADRP CN1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)[C@@H]1c1ccccc1 ZINC000638830720 384961999 /nfs/dbraw/zinc/96/19/99/384961999.db2.gz GGZFHZDKYANATE-HIEASXQVSA-N 2 0 296.418 2.622 20 0 CFADRP CO[C@@H](C[NH2+]CC1(C)CC[NH+](C)CC1)C1CCCC1 ZINC000638954605 385056005 /nfs/dbraw/zinc/05/60/05/385056005.db2.gz DDBPTHYHSPVVMR-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969381 385061824 /nfs/dbraw/zinc/06/18/24/385061824.db2.gz GONNDFPLONBIRD-ZMSDIMECSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638969309 385061860 /nfs/dbraw/zinc/06/18/60/385061860.db2.gz UZHLVZOIMLTGFB-WKILWMFISA-N 2 0 297.487 2.522 20 0 CFADRP COc1cc(C)nc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000270243045 385027690 /nfs/dbraw/zinc/02/76/90/385027690.db2.gz HWVPAVRINKPWFR-UHFFFAOYSA-N 2 0 286.379 2.501 20 0 CFADRP COc1cccc(C)c1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000638919087 385030819 /nfs/dbraw/zinc/03/08/19/385030819.db2.gz XUVYATGTLSDUOS-ZBFHGGJFSA-N 2 0 274.408 2.530 20 0 CFADRP CSC1(C[NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000289235713 197271082 /nfs/dbraw/zinc/27/10/82/197271082.db2.gz KOWSAOPRTMZONK-UHFFFAOYSA-N 2 0 278.465 2.994 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000270517503 385132357 /nfs/dbraw/zinc/13/23/57/385132357.db2.gz SOIUKZLHZXGPTR-DOTOQJQBSA-N 2 0 274.408 2.611 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(Cc2ccc3nccnc3c2)CC1 ZINC000639104413 385196137 /nfs/dbraw/zinc/19/61/37/385196137.db2.gz ORZZHWGTJXZZRJ-OAHLLOKOSA-N 2 0 284.407 2.546 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639117105 385214495 /nfs/dbraw/zinc/21/44/95/385214495.db2.gz CSZOEASCCTVCFW-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP C([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCSCC1 ZINC000639125486 385225074 /nfs/dbraw/zinc/22/50/74/385225074.db2.gz XGFVCMAJHBHDPF-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP CC(C)C1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000645199607 385239038 /nfs/dbraw/zinc/23/90/38/385239038.db2.gz UGNCBBJOEWRIBZ-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CC1CCSCC1 ZINC000639190287 385305087 /nfs/dbraw/zinc/30/50/87/385305087.db2.gz SZICVQPPRHGEQH-DZGCQCFKSA-N 2 0 268.470 2.688 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639204369 385324518 /nfs/dbraw/zinc/32/45/18/385324518.db2.gz SIEIJFBHAVADCJ-MJGOQNOKSA-N 2 0 299.462 2.541 20 0 CFADRP CC[C@H](C)[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639163885 385267310 /nfs/dbraw/zinc/26/73/10/385267310.db2.gz XYMDCGSVQOESQL-SRXPKIRMSA-N 2 0 268.445 2.605 20 0 CFADRP c1cc2cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000282338775 385287520 /nfs/dbraw/zinc/28/75/20/385287520.db2.gz OQWCLCKSWWUOJS-IAGOWNOFSA-N 2 0 283.419 2.927 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCSCC2)C1 ZINC000639180837 385293482 /nfs/dbraw/zinc/29/34/82/385293482.db2.gz ZJSVELPXKHUGCJ-LSDHHAIUSA-N 2 0 268.470 2.546 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(O)c1 ZINC000282509248 385330197 /nfs/dbraw/zinc/33/01/97/385330197.db2.gz YTFUMIIAGNNWDP-ZDUSSCGKSA-N 2 0 274.408 2.917 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)C2CCC2)CC1 ZINC000639229355 385356024 /nfs/dbraw/zinc/35/60/24/385356024.db2.gz VDZHDXHBZUGWOV-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639247561 385378143 /nfs/dbraw/zinc/37/81/43/385378143.db2.gz WAZVYKXIOKXHPK-ZDUSSCGKSA-N 2 0 270.461 2.636 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCCc2cnccc2C)C1 ZINC000289046741 197220813 /nfs/dbraw/zinc/22/08/13/197220813.db2.gz BBQGCJMQABYHRY-INIZCTEOSA-N 2 0 275.440 2.644 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000271452694 385383115 /nfs/dbraw/zinc/38/31/15/385383115.db2.gz OORKUHSWAWCLBC-ZDUSSCGKSA-N 2 0 259.397 2.667 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCSCC3)C2)C1 ZINC000639207305 385327941 /nfs/dbraw/zinc/32/79/41/385327941.db2.gz GJOOPRNYHDCONH-OAHLLOKOSA-N 2 0 268.470 2.547 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(F)cn1 ZINC000414195393 533116930 /nfs/dbraw/zinc/11/69/30/533116930.db2.gz UUNMGTBTWHEPTO-OLZOCXBDSA-N 2 0 295.402 2.612 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000639282899 385410109 /nfs/dbraw/zinc/41/01/09/385410109.db2.gz MVGUAHQLCHTJCR-GPANFISMSA-N 2 0 294.483 2.638 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCCCC1 ZINC000639312994 385439779 /nfs/dbraw/zinc/43/97/79/385439779.db2.gz PRDAWMYMTBQPJB-VNQPRFMTSA-N 2 0 268.445 2.512 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1F ZINC000423024388 533118637 /nfs/dbraw/zinc/11/86/37/533118637.db2.gz LQZYVJCLTVRHFZ-WDEREUQCSA-N 2 0 254.349 2.612 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000272039800 385433269 /nfs/dbraw/zinc/43/32/69/385433269.db2.gz QCSCKDSOPGZWLK-GOEBONIOSA-N 2 0 275.440 2.951 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(O)c2OC)[C@H](C)C1 ZINC000272257994 385490662 /nfs/dbraw/zinc/49/06/62/385490662.db2.gz JPDDLEMXCIGPPI-UKRRQHHQSA-N 2 0 292.423 2.563 20 0 CFADRP CC[C@](C)(C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375072 385492001 /nfs/dbraw/zinc/49/20/01/385492001.db2.gz PXQIJNVKNIHWCO-MRXNPFEDSA-N 2 0 268.445 2.752 20 0 CFADRP CO[C@H](CC(C)C)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375239 385492094 /nfs/dbraw/zinc/49/20/94/385492094.db2.gz RNGFMGIDMPNKSF-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000639375815 385493140 /nfs/dbraw/zinc/49/31/40/385493140.db2.gz GDAOFGBJJZCTSE-INIZCTEOSA-N 2 0 280.456 2.896 20 0 CFADRP CN(C/C=C/c1ccc(F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395548 385513447 /nfs/dbraw/zinc/51/34/47/385513447.db2.gz BVCLFOODZQBRKV-RCAFFNEUSA-N 2 0 274.383 2.865 20 0 CFADRP CN(Cc1cc2ccccc2[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395818 385513682 /nfs/dbraw/zinc/51/36/82/385513682.db2.gz FMZBFROESBWSLQ-KRWDZBQOSA-N 2 0 269.392 2.694 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272403810 385529264 /nfs/dbraw/zinc/52/92/64/385529264.db2.gz FBYPWBQGYDZGSR-CGTJXYLNSA-N 2 0 288.435 2.666 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000272447809 385539538 /nfs/dbraw/zinc/53/95/38/385539538.db2.gz BXOLWDKRSPLIKV-WMZOPIPTSA-N 2 0 299.418 2.855 20 0 CFADRP COCCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272495304 385552467 /nfs/dbraw/zinc/55/24/67/385552467.db2.gz NGFDTRQDLFNWAD-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H](CC[NH2+]C1CCC(O)CC1)[N@H+](C)Cc1ccccc1 ZINC000286237461 385576447 /nfs/dbraw/zinc/57/64/47/385576447.db2.gz TVHFPQJWXUBBPC-ZLPCBKJTSA-N 2 0 290.451 2.790 20 0 CFADRP Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1F ZINC000272539031 385560786 /nfs/dbraw/zinc/56/07/86/385560786.db2.gz BUVREWXZYNXQKP-GDBMZVCRSA-N 2 0 262.372 2.660 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286205114 385571787 /nfs/dbraw/zinc/57/17/87/385571787.db2.gz RVUDAGXMZUDUHN-FUHWJXTLSA-N 2 0 289.467 2.672 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC[C@@H](O)c2ccccc2)CC1 ZINC000286206514 385571948 /nfs/dbraw/zinc/57/19/48/385571948.db2.gz ATLUJRFYSSATKY-GOSISDBHSA-N 2 0 290.451 2.916 20 0 CFADRP C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579756 385593240 /nfs/dbraw/zinc/59/32/40/385593240.db2.gz KMVBKFKSPBSGGT-ZFWWWQNUSA-N 2 0 289.423 2.530 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000122331839 413004919 /nfs/dbraw/zinc/00/49/19/413004919.db2.gz BKKDKLCKPOOPQW-ZOWXZIJZSA-N 2 0 250.361 2.946 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000272723857 385596645 /nfs/dbraw/zinc/59/66/45/385596645.db2.gz GEPUQROHEQNIRL-CHWSQXEVSA-N 2 0 277.412 2.636 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000639546176 385578862 /nfs/dbraw/zinc/57/88/62/385578862.db2.gz JOJIDBUQNHIOQK-FUHWJXTLSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(F)c(C)c2)CC[C@@H]1[NH3+] ZINC000122280188 413004361 /nfs/dbraw/zinc/00/43/61/413004361.db2.gz BAOSCIRKQMTMJA-ZFWWWQNUSA-N 2 0 250.361 2.693 20 0 CFADRP COc1ccc([C@@H]([NH2+][C@@H](C)CCC[NH3+])C2CC2)cc1 ZINC000422947247 533133573 /nfs/dbraw/zinc/13/35/73/533133573.db2.gz XXKXXNQPGTXKOG-LRDDRELGSA-N 2 0 262.397 2.863 20 0 CFADRP C1=C[C@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000639683479 385659059 /nfs/dbraw/zinc/65/90/59/385659059.db2.gz ZUZOXAMOZRFIKH-HNNXBMFYSA-N 2 0 257.381 2.702 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)CC1 ZINC000639756243 385697340 /nfs/dbraw/zinc/69/73/40/385697340.db2.gz SJXHGHKPAVRYIF-INIZCTEOSA-N 2 0 292.467 2.896 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757322 385697554 /nfs/dbraw/zinc/69/75/54/385697554.db2.gz FZVJZKCHPHNUBI-AWEZNQCLSA-N 2 0 259.397 2.560 20 0 CFADRP Cc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760671 385699045 /nfs/dbraw/zinc/69/90/45/385699045.db2.gz ZHLKUSMMIUJQMA-UHFFFAOYSA-N 2 0 258.409 2.913 20 0 CFADRP COCC1(C[NH2+]Cc2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000414955888 533140199 /nfs/dbraw/zinc/14/01/99/533140199.db2.gz NVWXWOPRCVPXFR-UHFFFAOYSA-N 2 0 298.430 2.946 20 0 CFADRP COCC1(C[NH2+]C[C@H](C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000414970377 533140238 /nfs/dbraw/zinc/14/02/38/533140238.db2.gz HOQMVYBKZGWKPT-AWEZNQCLSA-N 2 0 294.414 2.535 20 0 CFADRP COCCCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981329 385801753 /nfs/dbraw/zinc/80/17/53/385801753.db2.gz JYPQKQIYJRRSPF-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP CCO[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000639984451 385805879 /nfs/dbraw/zinc/80/58/79/385805879.db2.gz VQMRCYUDZWKIJW-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000274610658 385833772 /nfs/dbraw/zinc/83/37/72/385833772.db2.gz KBJZLUXDUGNESV-LSDHHAIUSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000287173638 385795202 /nfs/dbraw/zinc/79/52/02/385795202.db2.gz CHNPODJFUDDROI-NJAFHUGGSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccn(-c2ccccc2)n1 ZINC000275318434 385975222 /nfs/dbraw/zinc/97/52/22/385975222.db2.gz XHOSGSAWFNUQPR-QAPCUYQASA-N 2 0 298.434 2.644 20 0 CFADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)CCC[NH3+] ZINC000123282525 413010975 /nfs/dbraw/zinc/01/09/75/413010975.db2.gz UKROPNHZEBPPLK-JTQLQIEISA-N 2 0 276.302 2.927 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(CO)c1 ZINC000276979026 386097763 /nfs/dbraw/zinc/09/77/63/386097763.db2.gz YWFSJPWXMJYQTG-HNNXBMFYSA-N 2 0 290.451 2.952 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000423254980 533166531 /nfs/dbraw/zinc/16/65/31/533166531.db2.gz AFSGBUKFZPCSFR-QWHCGFSZSA-N 2 0 280.387 2.875 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401025500 533175288 /nfs/dbraw/zinc/17/52/88/533175288.db2.gz UETMAOGJOOIRCK-QCEMKRCNSA-N 2 0 274.408 2.734 20 0 CFADRP COc1ccc([C@H](CCC(C)C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305533 533177268 /nfs/dbraw/zinc/17/72/68/533177268.db2.gz RAVBTXUYCUAFDC-KRWDZBQOSA-N 2 0 276.424 2.982 20 0 CFADRP Cc1cccc(NCC[NH+]2Cc3ccccc3C2)n1 ZINC000681208107 542424722 /nfs/dbraw/zinc/42/47/22/542424722.db2.gz UUGAUDDWEVMMGE-UHFFFAOYSA-N 2 0 253.349 2.818 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000681400250 542448776 /nfs/dbraw/zinc/44/87/76/542448776.db2.gz DMFNCIXYZVIQHU-OIISXLGYSA-N 2 0 282.472 2.900 20 0 CFADRP COc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C(C)C)cc1 ZINC000423349193 533194660 /nfs/dbraw/zinc/19/46/60/533194660.db2.gz VZFGIXMDUMAYPI-QGZVFWFLSA-N 2 0 274.408 2.902 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281229185 195157881 /nfs/dbraw/zinc/15/78/81/195157881.db2.gz MEPCUNIWOYJLOA-OAHLLOKOSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000129062246 413027749 /nfs/dbraw/zinc/02/77/49/413027749.db2.gz YJABGCJINZWCBZ-JQWIXIFHSA-N 2 0 288.313 2.897 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000129171772 413028066 /nfs/dbraw/zinc/02/80/66/413028066.db2.gz HEMXGYRZRAUPLN-CMPLNLGQSA-N 2 0 253.415 2.553 20 0 CFADRP COc1ccc(CC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281464882 195250592 /nfs/dbraw/zinc/25/05/92/195250592.db2.gz VOYMAHIGXIREAE-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423134544 285286467 /nfs/dbraw/zinc/28/64/67/285286467.db2.gz MLTWONSESWKOMW-XLAORIBOSA-N 2 0 294.483 2.686 20 0 CFADRP Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000379134719 781980227 /nfs/dbraw/zinc/98/02/27/781980227.db2.gz QIJAGGLCDZJBTP-YHWZYXNKSA-N 2 0 250.411 2.771 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000682143381 542525485 /nfs/dbraw/zinc/52/54/85/542525485.db2.gz FMAOLXKFBFBQPV-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000682156543 542528236 /nfs/dbraw/zinc/52/82/36/542528236.db2.gz PXFVTVNMVCWIMS-LAQRGFTBSA-N 2 0 270.420 2.648 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179443978 260049163 /nfs/dbraw/zinc/04/91/63/260049163.db2.gz QPBJIEHDFQNPEO-YOEHRIQHSA-N 2 0 258.409 2.918 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200414 542570976 /nfs/dbraw/zinc/57/09/76/542570976.db2.gz ZSMOTNAVGBREBF-INIZCTEOSA-N 2 0 289.467 2.672 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](Cc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423418949 533237098 /nfs/dbraw/zinc/23/70/98/533237098.db2.gz VJPNMNUNMRWKFT-ZWKOTPCHSA-N 2 0 290.451 2.612 20 0 CFADRP COc1ncccc1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423143313 533256524 /nfs/dbraw/zinc/25/65/24/533256524.db2.gz WZJSFKQRZBHUGV-GDBMZVCRSA-N 2 0 291.439 2.533 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000157960249 285399191 /nfs/dbraw/zinc/39/91/91/285399191.db2.gz ZYHBVRZRMWTOFC-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000682671996 542578432 /nfs/dbraw/zinc/57/84/32/542578432.db2.gz SGCLSSNPOYVTHO-AQFXKWCLSA-N 2 0 287.451 2.728 20 0 CFADRP C[C@@H]1CCC[C@@](CNC2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000314141126 296455123 /nfs/dbraw/zinc/45/51/23/296455123.db2.gz LLKOZDKBSAZMMO-CRAIPNDOSA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH3+])CCS2 ZINC000423343238 533296446 /nfs/dbraw/zinc/29/64/46/533296446.db2.gz ZRUZFAZTPBHJSL-CYBMUJFWSA-N 2 0 266.410 2.561 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423321491 533312907 /nfs/dbraw/zinc/31/29/07/533312907.db2.gz GFDNDMSDZRVLBV-AWEZNQCLSA-N 2 0 292.398 2.801 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000422813283 533340203 /nfs/dbraw/zinc/34/02/03/533340203.db2.gz ZFSURIXTBUNIID-SNVBAGLBSA-N 2 0 270.323 2.691 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)cc2c1 ZINC000415027018 533356780 /nfs/dbraw/zinc/35/67/80/533356780.db2.gz APYCTACGUNFTLC-YPMHNXCESA-N 2 0 274.364 2.658 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422949761 533364074 /nfs/dbraw/zinc/36/40/74/533364074.db2.gz WGQWFKHSASAEKT-XYPWUTKMSA-N 2 0 288.435 2.845 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422865607 533364601 /nfs/dbraw/zinc/36/46/01/533364601.db2.gz YTJNFZJCGJKTDG-STQMWFEESA-N 2 0 294.439 2.697 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422814432 533365185 /nfs/dbraw/zinc/36/51/85/533365185.db2.gz UTLYPSHSERICEV-ZBFHGGJFSA-N 2 0 258.409 2.838 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423341751 533366634 /nfs/dbraw/zinc/36/66/34/533366634.db2.gz KGCXXTJCOZWIBS-OAHLLOKOSA-N 2 0 296.418 2.502 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnccc1N ZINC000422874190 533378135 /nfs/dbraw/zinc/37/81/35/533378135.db2.gz CGCGOXUUEDTGKL-HUUCEWRRSA-N 2 0 290.455 2.657 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000423316002 533378515 /nfs/dbraw/zinc/37/85/15/533378515.db2.gz BKGXJDHIMATMPB-SSDOTTSWSA-N 2 0 267.320 2.551 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccncc1 ZINC000423288935 533448199 /nfs/dbraw/zinc/44/81/99/533448199.db2.gz ABQWVRTYKDPHAU-QWHCGFSZSA-N 2 0 255.365 2.952 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@H]1CCCOC1 ZINC000423288964 533448622 /nfs/dbraw/zinc/44/86/22/533448622.db2.gz ADNNWVKTMBRBDT-ZENOOKHLSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccn1 ZINC000423292250 533449132 /nfs/dbraw/zinc/44/91/32/533449132.db2.gz METYXLVDNNQOSY-QWHCGFSZSA-N 2 0 255.365 2.952 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)C1C[NH2+]C1 ZINC000422879047 533449150 /nfs/dbraw/zinc/44/91/50/533449150.db2.gz KCDZCLNOWUCKMZ-OAHLLOKOSA-N 2 0 296.414 2.963 20 0 CFADRP C[C@@H](C1C[NH2+]C1)[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000423162015 533391795 /nfs/dbraw/zinc/39/17/95/533391795.db2.gz OQVSZIVPAQPZAR-LBPRGKRZSA-N 2 0 294.389 2.827 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423371281 533400642 /nfs/dbraw/zinc/40/06/42/533400642.db2.gz QCYUXZMVPJJGKH-YHUYYLMFSA-N 2 0 296.455 2.748 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423238679 533402339 /nfs/dbraw/zinc/40/23/39/533402339.db2.gz ANUVJRYTPPEYGE-ZIAGYGMSSA-N 2 0 258.409 2.826 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000423301710 533408365 /nfs/dbraw/zinc/40/83/65/533408365.db2.gz UQPFURBUWKAVIJ-VHSXEESVSA-N 2 0 276.302 2.831 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000422735958 533409948 /nfs/dbraw/zinc/40/99/48/533409948.db2.gz FQEORINNARBTKR-LALPHHSUSA-N 2 0 250.361 2.659 20 0 CFADRP C[C@@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422729582 533416424 /nfs/dbraw/zinc/41/64/24/533416424.db2.gz KXYOYGXSQFENPI-XYPHTWIQSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423203358 533419949 /nfs/dbraw/zinc/41/99/49/533419949.db2.gz CHZHLXUQAUFIEI-ZIAGYGMSSA-N 2 0 258.409 2.826 20 0 CFADRP COc1ccc(C2CCC([NH2+]C[C@@H](C)C[NH3+])CC2)cc1 ZINC000414878655 533430605 /nfs/dbraw/zinc/43/06/05/533430605.db2.gz OOGRPEQHUUQQNQ-HLIUYOAVSA-N 2 0 276.424 2.906 20 0 CFADRP COc1ccc(C2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414882083 533431976 /nfs/dbraw/zinc/43/19/76/533431976.db2.gz LXCLKHNTYPOXJK-BCLQGDPASA-N 2 0 274.408 2.673 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000414064486 533461733 /nfs/dbraw/zinc/46/17/33/533461733.db2.gz DYEPEAOZMWEPCK-FMKPAKJESA-N 2 0 276.424 2.761 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422728959 533475399 /nfs/dbraw/zinc/47/53/99/533475399.db2.gz BCUUYJODGIIWCP-DOTOQJQBSA-N 2 0 276.424 2.735 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422730114 533476962 /nfs/dbraw/zinc/47/69/62/533476962.db2.gz DGWCXXOWISFWGY-PBHICJAKSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1nc(-c2ccncc2)cs1 ZINC000422915249 533496490 /nfs/dbraw/zinc/49/64/90/533496490.db2.gz XUKKZWCGUNTHFJ-NWDGAFQWSA-N 2 0 290.436 2.983 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000422810341 533496826 /nfs/dbraw/zinc/49/68/26/533496826.db2.gz ROWIFOHJZNAWPA-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)CCCC[NH3+])c(Cl)c1 ZINC000422888490 533498230 /nfs/dbraw/zinc/49/82/30/533498230.db2.gz NAOFCVBPBUIDQG-LBPRGKRZSA-N 2 0 284.831 2.998 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)CCC[NH3+])c(Cl)c1 ZINC000422889770 533500398 /nfs/dbraw/zinc/50/03/98/533500398.db2.gz QPMXIRJVBCIPNL-LLVKDONJSA-N 2 0 270.804 2.608 20 0 CFADRP C[C@H](C1C[NH2+]C1)[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423151486 533591202 /nfs/dbraw/zinc/59/12/02/533591202.db2.gz DIYOGRMTBRHWHB-GFCCVEGCSA-N 2 0 294.389 2.827 20 0 CFADRP C[C@H](C1C[NH2+]C1)[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000423162014 533591834 /nfs/dbraw/zinc/59/18/34/533591834.db2.gz OQVSZIVPAQPZAR-GFCCVEGCSA-N 2 0 294.389 2.827 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000422925650 533532905 /nfs/dbraw/zinc/53/29/05/533532905.db2.gz BXINICMZQJUKPN-NXEZZACHSA-N 2 0 288.313 2.844 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccc(Cl)cc1 ZINC000422710812 533537676 /nfs/dbraw/zinc/53/76/76/533537676.db2.gz GDBCMYPPNPJXSR-LBPRGKRZSA-N 2 0 270.804 2.826 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(F)c1 ZINC000422781129 533537875 /nfs/dbraw/zinc/53/78/75/533537875.db2.gz DSKWUVAFPLESJD-STQMWFEESA-N 2 0 268.376 2.700 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218741 533540793 /nfs/dbraw/zinc/54/07/93/533540793.db2.gz VXWQMFYDNFJYEH-CRAIPNDOSA-N 2 0 288.435 2.606 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422958404 533547705 /nfs/dbraw/zinc/54/77/05/533547705.db2.gz XPNMMBGTVQRTTB-KGLIPLIRSA-N 2 0 264.413 2.733 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116960 533553609 /nfs/dbraw/zinc/55/36/09/533553609.db2.gz SFWULMSZICRGME-LBPRGKRZSA-N 2 0 277.387 2.957 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422842969 533553972 /nfs/dbraw/zinc/55/39/72/533553972.db2.gz ZXQVCJVLSKJEKE-NSHDSACASA-N 2 0 263.360 2.567 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422832282 533554126 /nfs/dbraw/zinc/55/41/26/533554126.db2.gz FMRKRKHRCKSITC-SWLSCSKDSA-N 2 0 264.438 2.734 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000422915250 533554683 /nfs/dbraw/zinc/55/46/83/533554683.db2.gz XUKKZWCGUNTHFJ-RYUDHWBXSA-N 2 0 290.436 2.983 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423107409 533555006 /nfs/dbraw/zinc/55/50/06/533555006.db2.gz PVMAEHOHTDOONW-HNNXBMFYSA-N 2 0 299.418 2.878 20 0 CFADRP COc1cccc(OC)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422114020 533629129 /nfs/dbraw/zinc/62/91/29/533629129.db2.gz ACVQSXVRUKMJCC-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000422869909 533642728 /nfs/dbraw/zinc/64/27/28/533642728.db2.gz BAJUCVABOWFDAS-ZLMZNLFFSA-N 2 0 299.462 2.522 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414849088 533654324 /nfs/dbraw/zinc/65/43/24/533654324.db2.gz HDBCWGKGALLCRP-ZFWWWQNUSA-N 2 0 264.388 2.736 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1OCCC(C)C ZINC000414881786 533666037 /nfs/dbraw/zinc/66/60/37/533666037.db2.gz SSFCEOTXGLCOTF-AWEZNQCLSA-N 2 0 294.439 2.805 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCSC(C)C ZINC000342071152 130234983 /nfs/dbraw/zinc/23/49/83/130234983.db2.gz KALFINLGDLZAJC-UHFFFAOYSA-N 2 0 290.436 2.807 20 0 CFADRP CCc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342082350 130243338 /nfs/dbraw/zinc/24/33/38/130243338.db2.gz IHMMZMNZTKLGPC-BZSNNMDCSA-N 2 0 272.436 2.851 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000191515994 130248239 /nfs/dbraw/zinc/24/82/39/130248239.db2.gz DDFKUMJBOJMPOW-YPMHNXCESA-N 2 0 268.351 2.580 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000191516006 130248334 /nfs/dbraw/zinc/24/83/34/130248334.db2.gz DDFKUMJBOJMPOW-AAEUAGOBSA-N 2 0 268.351 2.580 20 0 CFADRP O[C@@H](C[NH2+]C1CCC2(CCCCC2)CC1)C[NH+]1CCCC1 ZINC000342126372 130283314 /nfs/dbraw/zinc/28/33/14/130283314.db2.gz JHYSVIBPVKFWRQ-KRWDZBQOSA-N 2 0 294.483 2.926 20 0 CFADRP Cc1ccc(CCC[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000355610236 130317722 /nfs/dbraw/zinc/31/77/22/130317722.db2.gz RLJLYVNUGUJVJY-UHFFFAOYSA-N 2 0 287.451 2.929 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423446060 296470566 /nfs/dbraw/zinc/47/05/66/296470566.db2.gz SKZPUGWPVZFWPQ-FHXAZYNBSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000237479637 131035273 /nfs/dbraw/zinc/03/52/73/131035273.db2.gz QRGCZFZDMQASLZ-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000249371125 131121711 /nfs/dbraw/zinc/12/17/11/131121711.db2.gz BIEATBNATGDVKZ-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250269830 131125411 /nfs/dbraw/zinc/12/54/11/131125411.db2.gz ZVOHLHHWPALBSC-CVEARBPZSA-N 2 0 262.372 2.585 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccco2)C1 ZINC000252440246 131134517 /nfs/dbraw/zinc/13/45/17/131134517.db2.gz YXMXCZVFFNLNKH-ZIAGYGMSSA-N 2 0 250.386 2.532 20 0 CFADRP COc1cccc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000262272339 131206896 /nfs/dbraw/zinc/20/68/96/131206896.db2.gz SPDHYKCEXVKJPS-UHFFFAOYSA-N 2 0 288.435 2.874 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000266785197 131776862 /nfs/dbraw/zinc/77/68/62/131776862.db2.gz OCFQHWWRBASAPD-ZDUSSCGKSA-N 2 0 294.464 2.516 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000164651138 542708687 /nfs/dbraw/zinc/70/86/87/542708687.db2.gz GRWIWFBRBAKUDT-QGZVFWFLSA-N 3 0 295.515 2.963 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000683694226 542711777 /nfs/dbraw/zinc/71/17/77/542711777.db2.gz QYGYAWNWVKGQLM-MRXNPFEDSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)C1CC[NH+](C)CC1 ZINC000683695024 542711785 /nfs/dbraw/zinc/71/17/85/542711785.db2.gz YPWBQKMEMHGEQB-AWEZNQCLSA-N 2 0 287.451 2.780 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683723114 542715481 /nfs/dbraw/zinc/71/54/81/542715481.db2.gz OPYFWMSCEJXIAD-QGZVFWFLSA-N 2 0 288.435 2.714 20 0 CFADRP C[C@@H]1C[C@H](NCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268707723 132053378 /nfs/dbraw/zinc/05/33/78/132053378.db2.gz IYHOUUHXQOSAMS-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000268746842 132060359 /nfs/dbraw/zinc/06/03/59/132060359.db2.gz AWHCDPZLGSZUAG-KBPBESRZSA-N 2 0 274.408 2.709 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268751161 132061038 /nfs/dbraw/zinc/06/10/38/132061038.db2.gz CLBXYJVATZKADL-HOTGVXAUSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000268786874 132065831 /nfs/dbraw/zinc/06/58/31/132065831.db2.gz DBSSFMIHZPKZQU-IOASZLSFSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000268843290 132075224 /nfs/dbraw/zinc/07/52/24/132075224.db2.gz NZQSYKZUGMSUQI-BPQIPLTHSA-N 2 0 288.435 2.523 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000268859730 132078401 /nfs/dbraw/zinc/07/84/01/132078401.db2.gz JBUPTUOPWJKNBI-HUUCEWRRSA-N 2 0 294.439 2.530 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)COC2 ZINC000268864944 132079796 /nfs/dbraw/zinc/07/97/96/132079796.db2.gz ZPUMRUXSIXNJCJ-KGLIPLIRSA-N 2 0 286.419 2.852 20 0 CFADRP CC(C)[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000268912215 132087389 /nfs/dbraw/zinc/08/73/89/132087389.db2.gz UIWNTMJIGLBCIC-HNNXBMFYSA-N 2 0 278.440 2.804 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000268998247 132097669 /nfs/dbraw/zinc/09/76/69/132097669.db2.gz KYEOPBSCVULJDN-OAHLLOKOSA-N 2 0 294.439 2.532 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000361956512 285526215 /nfs/dbraw/zinc/52/62/15/285526215.db2.gz KGONJMZMIKUPLK-AWEZNQCLSA-N 2 0 299.443 2.862 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300079015 393465061 /nfs/dbraw/zinc/46/50/61/393465061.db2.gz PUOYEKYHQBABHZ-IMJJTQAJSA-N 2 0 250.430 2.910 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000373772356 393471429 /nfs/dbraw/zinc/47/14/29/393471429.db2.gz TZGKRSRZBPQKBX-YESZJQIVSA-N 2 0 282.472 2.734 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000181745791 393499324 /nfs/dbraw/zinc/49/93/24/393499324.db2.gz SJPJWVODIVANIQ-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000031994734 393511639 /nfs/dbraw/zinc/51/16/39/393511639.db2.gz RQJDLHSWUPYXCB-QGZVFWFLSA-N 2 0 258.409 2.650 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC000376518335 393520751 /nfs/dbraw/zinc/52/07/51/393520751.db2.gz GCNYTADOIRDWPE-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC1CCC1 ZINC000376513540 393520961 /nfs/dbraw/zinc/52/09/61/393520961.db2.gz FMTBVYWSNMPPQB-OAHLLOKOSA-N 2 0 266.429 2.506 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000035647854 393522329 /nfs/dbraw/zinc/52/23/29/393522329.db2.gz MYZLJLFNPZIFSX-HNNXBMFYSA-N 2 0 278.440 2.948 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000036907577 393525723 /nfs/dbraw/zinc/52/57/23/393525723.db2.gz SZRHRTPCNJLWLV-XJKCOSOUSA-N 2 0 264.388 2.687 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000042395419 393552997 /nfs/dbraw/zinc/55/29/97/393552997.db2.gz JQVUAMJPKYDRCE-UHFFFAOYSA-N 2 0 288.435 2.923 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000684387360 542797967 /nfs/dbraw/zinc/79/79/67/542797967.db2.gz IMIXOZHQYYFQNT-BRWVUGGUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381059479 393560688 /nfs/dbraw/zinc/56/06/88/393560688.db2.gz KEHQPUFIKLPFSY-SJORKVTESA-N 2 0 290.451 2.505 20 0 CFADRP CC(C)[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000684362920 542793353 /nfs/dbraw/zinc/79/33/53/542793353.db2.gz YAFTWQWOJZQPMJ-ZACQAIPSSA-N 2 0 258.409 2.577 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccsc1 ZINC000042600029 393555130 /nfs/dbraw/zinc/55/51/30/393555130.db2.gz CVHLSDDYILWNPC-MBNYWOFBSA-N 2 0 252.427 2.609 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000684370299 542794532 /nfs/dbraw/zinc/79/45/32/542794532.db2.gz RSDPREISSLMHAI-IAGOWNOFSA-N 2 0 273.424 2.539 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000684388876 542798560 /nfs/dbraw/zinc/79/85/60/542798560.db2.gz ILFOIPCSJUPNJV-DLBZAZTESA-N 2 0 276.424 2.795 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000188112775 393561257 /nfs/dbraw/zinc/56/12/57/393561257.db2.gz NHJFDIGFQKVEJV-LZWOXQAQSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000382965301 393572659 /nfs/dbraw/zinc/57/26/59/393572659.db2.gz ZAHUOQUHJFXUFV-ZBFHGGJFSA-N 2 0 269.392 2.794 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@H](C)C2CC[NH+](C)CC2)o1 ZINC000165320344 542817647 /nfs/dbraw/zinc/81/76/47/542817647.db2.gz FOCZURUITRKQOE-CJNGLKHVSA-N 2 0 294.439 2.849 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400187140 393599794 /nfs/dbraw/zinc/59/97/94/393599794.db2.gz DKWDARVBKIPZQT-QAPCUYQASA-N 2 0 290.451 2.912 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400187141 393600028 /nfs/dbraw/zinc/60/00/28/393600028.db2.gz DKWDARVBKIPZQT-YJBOKZPZSA-N 2 0 290.451 2.912 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400221048 393600151 /nfs/dbraw/zinc/60/01/51/393600151.db2.gz WWQKUEAKCRDQTO-AEFFLSMTSA-N 2 0 288.435 2.523 20 0 CFADRP CO[C@H](C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400187139 393600230 /nfs/dbraw/zinc/60/02/30/393600230.db2.gz DKWDARVBKIPZQT-MAUKXSAKSA-N 2 0 290.451 2.912 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401108012 393602883 /nfs/dbraw/zinc/60/28/83/393602883.db2.gz FTLZEZCYPMTXNR-PWNZVWSESA-N 2 0 292.398 2.873 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401958466 393606925 /nfs/dbraw/zinc/60/69/25/393606925.db2.gz SAAWAJJJSYUPEV-MAUKXSAKSA-N 2 0 288.435 2.666 20 0 CFADRP COCC1(C[NH2+]C(C)(C)CCC[NH+](C)C)CCC1 ZINC000387324191 393590461 /nfs/dbraw/zinc/59/04/61/393590461.db2.gz NIXLYCVPRKZNLQ-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP COCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834289 393680341 /nfs/dbraw/zinc/68/03/41/393680341.db2.gz LSNSIBCGRKIYCR-MRXNPFEDSA-N 2 0 268.445 2.611 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000404786332 393621681 /nfs/dbraw/zinc/62/16/81/393621681.db2.gz YLHPCQXUXMHTBT-IUCAKERBSA-N 2 0 289.242 2.726 20 0 CFADRP COCCCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075859930 393681745 /nfs/dbraw/zinc/68/17/45/393681745.db2.gz KBUQAFLFVUDLIM-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335036987 393636206 /nfs/dbraw/zinc/63/62/06/393636206.db2.gz YSGASFRNIOQVJI-NUWOQIAWSA-N 2 0 293.499 2.617 20 0 CFADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335158329 393647462 /nfs/dbraw/zinc/64/74/62/393647462.db2.gz SZTFZGNIWVIGOQ-AWEZNQCLSA-N 2 0 250.773 2.669 20 0 CFADRP COc1ncccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000193460545 393652358 /nfs/dbraw/zinc/65/23/58/393652358.db2.gz XNDDGFQPHBEVFE-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC000335258923 393656018 /nfs/dbraw/zinc/65/60/18/393656018.db2.gz WAYWGFRQSGQQSQ-STQMWFEESA-N 2 0 262.372 2.572 20 0 CFADRP O[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411145064 393673627 /nfs/dbraw/zinc/67/36/27/393673627.db2.gz BFEOWORWLOSHIY-SFHVURJKSA-N 2 0 288.435 2.629 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)nn1C ZINC000337395722 393761567 /nfs/dbraw/zinc/76/15/67/393761567.db2.gz NFTXUSJGQBWFAB-INIZCTEOSA-N 2 0 292.471 2.891 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000088455595 393761649 /nfs/dbraw/zinc/76/16/49/393761649.db2.gz SGPKSNIPSOOECK-UHFFFAOYSA-N 2 0 250.430 2.885 20 0 CFADRP CCOCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336699714 393746835 /nfs/dbraw/zinc/74/68/35/393746835.db2.gz DCOFKPCSYIEVSX-GOSISDBHSA-N 2 0 290.451 2.867 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSC(C)C)C[C@@H]1C ZINC000336706058 393748103 /nfs/dbraw/zinc/74/81/03/393748103.db2.gz MWKORYGFXDCHRS-UONOGXRCSA-N 2 0 258.475 2.933 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CCCO1 ZINC000336813700 393749510 /nfs/dbraw/zinc/74/95/10/393749510.db2.gz VGLZHQWLOUBQPY-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411414443 393710868 /nfs/dbraw/zinc/71/08/68/393710868.db2.gz BITGFRUNQXBYFY-QAPCUYQASA-N 2 0 288.435 2.628 20 0 CFADRP Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)sc1C ZINC000088579456 393763765 /nfs/dbraw/zinc/76/37/65/393763765.db2.gz YXQBHQOHRHEZPP-UHFFFAOYSA-N 2 0 281.469 2.924 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000224972546 393768251 /nfs/dbraw/zinc/76/82/51/393768251.db2.gz REFXWMOLYIIJQC-OAGGEKHMSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227055270 393771569 /nfs/dbraw/zinc/77/15/69/393771569.db2.gz BLRILDUIRYLUDD-NILFDRSVSA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227054008 393771893 /nfs/dbraw/zinc/77/18/93/393771893.db2.gz HJXNRRUSUVEJLL-XJKSGUPXSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)CCN1C ZINC000338002483 393772724 /nfs/dbraw/zinc/77/27/24/393772724.db2.gz VSSYHSSYDRYKKY-TUVASFSCSA-N 2 0 256.409 2.977 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093451377 393798943 /nfs/dbraw/zinc/79/89/43/393798943.db2.gz UPPMQYQLHLOJKA-KSZLIROESA-N 2 0 293.499 2.619 20 0 CFADRP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000093491314 393800255 /nfs/dbraw/zinc/80/02/55/393800255.db2.gz NLNRGABAPVTUKM-IXDOHACOSA-N 2 0 290.455 2.564 20 0 CFADRP C[C@H]1SCC[N@H+](CCC[NH3+])[C@H]1c1ccccc1 ZINC000414706018 393802474 /nfs/dbraw/zinc/80/24/74/393802474.db2.gz OFMIXEFCYMCEFW-TZMCWYRMSA-N 2 0 250.411 2.514 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3c(F)cc(F)cc3C2)CC[NH2+]1 ZINC000414716461 393803705 /nfs/dbraw/zinc/80/37/05/393803705.db2.gz ZWGCVHJHIXOLLD-NWDGAFQWSA-N 2 0 280.362 2.711 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2)[C@@H](C)C1 ZINC000245439374 393804084 /nfs/dbraw/zinc/80/40/84/393804084.db2.gz SUHPKASJZMSLFC-DOTOQJQBSA-N 2 0 276.424 2.728 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3ccc(F)c(F)c3C2)CC[NH2+]1 ZINC000414755698 393804589 /nfs/dbraw/zinc/80/45/89/393804589.db2.gz PJLSIPWNXKXKDQ-NWDGAFQWSA-N 2 0 280.362 2.711 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC000414772808 393806015 /nfs/dbraw/zinc/80/60/15/393806015.db2.gz CMVCALVAXPNJSS-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414953227 393807968 /nfs/dbraw/zinc/80/79/68/393807968.db2.gz JIZBSKVDFGPPGQ-VWYCJHECSA-N 2 0 252.324 2.695 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC000424270134 393807919 /nfs/dbraw/zinc/80/79/19/393807919.db2.gz QCLMOXMBNDLTRO-JQKHNHIHSA-N 2 0 292.467 2.654 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000424282770 393813287 /nfs/dbraw/zinc/81/32/87/393813287.db2.gz AJOASOZKYCUZKF-CHWSQXEVSA-N 2 0 286.778 2.717 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067987 393815247 /nfs/dbraw/zinc/81/52/47/393815247.db2.gz IUQIZWKQCMLVQA-VNQPRFMTSA-N 2 0 274.408 2.540 20 0 CFADRP Cc1cccc(OCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424294444 393816245 /nfs/dbraw/zinc/81/62/45/393816245.db2.gz QJZDLILXJJWUMZ-MRXNPFEDSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340210446 393838682 /nfs/dbraw/zinc/83/86/82/393838682.db2.gz QTRZMDULXHXHOG-BPQIPLTHSA-N 3 0 289.467 2.752 20 0 CFADRP CN1CC[C@H]([NH2+]CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC000340210945 393838777 /nfs/dbraw/zinc/83/87/77/393838777.db2.gz YKXHEWTWSUIBRQ-ROUUACIJSA-N 2 0 289.467 2.753 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000339410688 393823945 /nfs/dbraw/zinc/82/39/45/393823945.db2.gz SCRVDPRCNVAUPJ-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOC2)C3)cc1 ZINC000245713733 393824094 /nfs/dbraw/zinc/82/40/94/393824094.db2.gz NPVNLGWESNCJRD-ZJPYXAASSA-N 2 0 286.419 2.561 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOC2)C3)cc1 ZINC000245713726 393824104 /nfs/dbraw/zinc/82/41/04/393824104.db2.gz NPVNLGWESNCJRD-TVFCKZIOSA-N 2 0 286.419 2.561 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868344 393867961 /nfs/dbraw/zinc/86/79/61/393867961.db2.gz KKUAZFWELPBBAM-IAGOWNOFSA-N 2 0 258.409 2.836 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248555401 393911218 /nfs/dbraw/zinc/91/12/18/393911218.db2.gz KLEQODVQCBLXDW-QZWWFDLISA-N 2 0 280.456 2.797 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000425353708 393877462 /nfs/dbraw/zinc/87/74/62/393877462.db2.gz JBGXHMBFDLNJMP-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CCC1(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCOCC1 ZINC000459726354 393887134 /nfs/dbraw/zinc/88/71/34/393887134.db2.gz BRVRYXLYBRXYKL-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246868256 393888462 /nfs/dbraw/zinc/88/84/62/393888462.db2.gz CUKAEZHAESSBOI-CYGHRXIMSA-N 2 0 290.451 2.613 20 0 CFADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344156993 393895909 /nfs/dbraw/zinc/89/59/09/393895909.db2.gz XKZNYWWSOMNKFN-IRXDYDNUSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367710 393840002 /nfs/dbraw/zinc/84/00/02/393840002.db2.gz NLVKCQCBWFYVFN-NILFDRSVSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424362794 393840041 /nfs/dbraw/zinc/84/00/41/393840041.db2.gz AXEOJSHAOJCEJI-BPLDGKMQSA-N 2 0 290.407 2.596 20 0 CFADRP Cc1c(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)cnn1C ZINC000340316512 393841752 /nfs/dbraw/zinc/84/17/52/393841752.db2.gz SWIDEATWLZQASH-QZTJIDSGSA-N 2 0 298.434 2.654 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424378560 393841742 /nfs/dbraw/zinc/84/17/42/393841742.db2.gz TWEZCTVATYNVHS-KBXIAJHMSA-N 2 0 268.445 2.686 20 0 CFADRP CC(C)Cn1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000424370305 393842089 /nfs/dbraw/zinc/84/20/89/393842089.db2.gz CDUPBMNPMPAEHS-OAHLLOKOSA-N 2 0 290.455 2.503 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000246067793 393845214 /nfs/dbraw/zinc/84/52/14/393845214.db2.gz SHEWWYWDWKUEKP-CVEARBPZSA-N 2 0 292.471 2.973 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000246109140 393847463 /nfs/dbraw/zinc/84/74/63/393847463.db2.gz JQVIBRXKOUBTKU-LZLYRXPVSA-N 2 0 295.515 2.817 20 0 CFADRP C([C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229455 393854327 /nfs/dbraw/zinc/85/43/27/393854327.db2.gz GFOMDXNMKCCVHF-IRXDYDNUSA-N 2 0 280.456 2.753 20 0 CFADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342100451 393861335 /nfs/dbraw/zinc/86/13/35/393861335.db2.gz OJAPXGZQWAFFAT-INIZCTEOSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773083 542852330 /nfs/dbraw/zinc/85/23/30/542852330.db2.gz ATPSKQOHLOQZPG-WBVHZDCISA-N 2 0 282.472 2.924 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000346436917 393929494 /nfs/dbraw/zinc/92/94/94/393929494.db2.gz FYWFOBOVJJHWAC-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCOC3CCCCCC3)C2)C1 ZINC000429003606 393933157 /nfs/dbraw/zinc/93/31/57/393933157.db2.gz WPUPNLBEKDAUMI-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCOC3CCCCCC3)C2)C1 ZINC000429003609 393933188 /nfs/dbraw/zinc/93/31/88/393933188.db2.gz WPUPNLBEKDAUMI-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@H]1CCCCO1 ZINC000347456115 393940147 /nfs/dbraw/zinc/94/01/47/393940147.db2.gz CMHCTWHQWZQRSB-IAGOWNOFSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2cccs2)CC[NH2+]C1 ZINC000261976458 393951580 /nfs/dbraw/zinc/95/15/80/393951580.db2.gz ITWSXAROBYDDDO-JSGCOSHPSA-N 2 0 250.411 2.885 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120968442 393944657 /nfs/dbraw/zinc/94/46/57/393944657.db2.gz AHDVRNYAGQNZQA-IXDOHACOSA-N 2 0 283.504 2.674 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474732411 393945458 /nfs/dbraw/zinc/94/54/58/393945458.db2.gz MUOYKPCIXVQXQX-SQNIBIBYSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000258987729 393946474 /nfs/dbraw/zinc/94/64/74/393946474.db2.gz LLHJLDWKZHSOKL-QGZVFWFLSA-N 2 0 260.425 2.974 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000474930548 393947613 /nfs/dbraw/zinc/94/76/13/393947613.db2.gz XNAFGTGNOUVPTJ-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)SCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261545595 393947924 /nfs/dbraw/zinc/94/79/24/393947924.db2.gz GBNLMTWOHUGKRA-KBPBESRZSA-N 2 0 250.411 2.862 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000261556350 393948438 /nfs/dbraw/zinc/94/84/38/393948438.db2.gz BXVSJLLTZXZQJS-WROUDLAPSA-N 2 0 250.430 2.917 20 0 CFADRP CCCCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435681333 394018906 /nfs/dbraw/zinc/01/89/06/394018906.db2.gz KEZMJVLKJRHFQF-HNNXBMFYSA-N 2 0 290.455 2.554 20 0 CFADRP CC[C@H]1CC[N@@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000430195375 393966006 /nfs/dbraw/zinc/96/60/06/393966006.db2.gz IDZWEQVBJOJYBU-KRWDZBQOSA-N 2 0 287.451 2.813 20 0 CFADRP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC000481990453 393967547 /nfs/dbraw/zinc/96/75/47/393967547.db2.gz JJRVSZIYJVQRKF-OTJKEOIZSA-N 2 0 252.446 2.989 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000482872044 393967603 /nfs/dbraw/zinc/96/76/03/393967603.db2.gz IHIRLAANHUVSFU-YESZJQIVSA-N 2 0 284.488 2.884 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(OC)CCCCC2)C1 ZINC000483289187 393968415 /nfs/dbraw/zinc/96/84/15/393968415.db2.gz LSHJVTOBFMDDHA-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CC1(OC)CCCC1 ZINC000349359220 393968547 /nfs/dbraw/zinc/96/85/47/393968547.db2.gz ZGOGULWXAVMHMS-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1Cc1ccccc1 ZINC000271846916 394023526 /nfs/dbraw/zinc/02/35/26/394023526.db2.gz HVKWIROILJUHNB-QFBILLFUSA-N 2 0 299.462 2.501 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000486926839 393971605 /nfs/dbraw/zinc/97/16/05/393971605.db2.gz PLEOFFAQBMKVBE-DZGCQCFKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C/c1ccncc1 ZINC000486974674 393976837 /nfs/dbraw/zinc/97/68/37/393976837.db2.gz SJTRDRXEICVVSF-RRGWEWPQSA-N 2 0 273.424 2.949 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C/c1ccncc1 ZINC000486974670 393976981 /nfs/dbraw/zinc/97/69/81/393976981.db2.gz SJTRDRXEICVVSF-IEXSPKMKSA-N 2 0 273.424 2.949 20 0 CFADRP CCn1cncc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417700492 393994540 /nfs/dbraw/zinc/99/45/40/393994540.db2.gz LKZQNYZWAAICRO-KRWDZBQOSA-N 2 0 298.434 2.609 20 0 CFADRP C[N@H+](CCc1c(F)cccc1Cl)CC(C)(C)C[NH3+] ZINC000430566336 393994765 /nfs/dbraw/zinc/99/47/65/393994765.db2.gz RSGYZNZNAHHDTP-UHFFFAOYSA-N 2 0 272.795 2.938 20 0 CFADRP Cc1nc(CN(C)CCCn2ccnc2)nc2ccccc12 ZINC000124467006 393995394 /nfs/dbraw/zinc/99/53/94/393995394.db2.gz QPCZMCSNMFEYCT-UHFFFAOYSA-N 2 0 295.390 2.657 20 0 CFADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000430598016 393998226 /nfs/dbraw/zinc/99/82/26/393998226.db2.gz NGNFNYUQBMGFFE-LLVKDONJSA-N 2 0 292.408 2.662 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000487319835 393998412 /nfs/dbraw/zinc/99/84/12/393998412.db2.gz HRHVREGZUNHJLL-KSLSASGISA-N 2 0 259.397 2.557 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000269071569 394001190 /nfs/dbraw/zinc/00/11/90/394001190.db2.gz MVURXURXKAIAFS-DYVFJYSZSA-N 2 0 294.414 2.759 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n(C)n1 ZINC000417878371 394005731 /nfs/dbraw/zinc/00/57/31/394005731.db2.gz RZDLZACAZGMWGH-GASCZTMLSA-N 2 0 292.471 2.576 20 0 CFADRP CC(C)COC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351649416 394005715 /nfs/dbraw/zinc/00/57/15/394005715.db2.gz VAQNSYZJYGOQJG-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CC1(C)C ZINC000487554734 394011543 /nfs/dbraw/zinc/01/15/43/394011543.db2.gz FHADJRBEFJKIDU-ZFWWWQNUSA-N 2 0 291.439 2.546 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cccc2c1OCO2)CC1CCCC1 ZINC000352546452 394015371 /nfs/dbraw/zinc/01/53/71/394015371.db2.gz VITMOSOHNNVTNX-UHFFFAOYSA-N 2 0 290.407 2.756 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000127093858 394042960 /nfs/dbraw/zinc/04/29/60/394042960.db2.gz FIGYBPYUBRIVRF-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000130068789 394100926 /nfs/dbraw/zinc/10/09/26/394100926.db2.gz RBFPBBQROWNPPJ-MELADBBJSA-N 2 0 292.423 2.837 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127608325 394053264 /nfs/dbraw/zinc/05/32/64/394053264.db2.gz LSEYCZCGIZRIIU-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278528191 394061476 /nfs/dbraw/zinc/06/14/76/394061476.db2.gz UJYJFWHPYQFCAU-UHFFFAOYSA-N 2 0 262.372 2.790 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000128029941 394061777 /nfs/dbraw/zinc/06/17/77/394061777.db2.gz WTPKHBCETOWVDY-WMLDXEAASA-N 2 0 296.430 2.876 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358300474 394102221 /nfs/dbraw/zinc/10/22/21/394102221.db2.gz PBDXTBYQSULTDH-MXWKQRLJSA-N 2 0 284.391 2.600 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(SC)CCC2)C1 ZINC000356112770 394074332 /nfs/dbraw/zinc/07/43/32/394074332.db2.gz PGICLBQYAAJTOL-AWEZNQCLSA-N 2 0 270.486 2.936 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130144573 394103692 /nfs/dbraw/zinc/10/36/92/394103692.db2.gz MFGMHMJFQAGGHL-BHYGNILZSA-N 2 0 288.435 2.843 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000129122212 394082941 /nfs/dbraw/zinc/08/29/41/394082941.db2.gz ZJZLOWABXPYFNG-KBPBESRZSA-N 2 0 258.475 2.934 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129272010 394085042 /nfs/dbraw/zinc/08/50/42/394085042.db2.gz WJMPQZIXMCETDV-QWHCGFSZSA-N 2 0 296.377 2.665 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353514751 394031736 /nfs/dbraw/zinc/03/17/36/394031736.db2.gz CXHPGRAPSIPXKJ-CWQOZTLDSA-N 2 0 293.499 2.712 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353623621 394033380 /nfs/dbraw/zinc/03/33/80/394033380.db2.gz OMUQESAETQRPQE-AWEZNQCLSA-N 2 0 288.501 2.609 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000419234718 394034631 /nfs/dbraw/zinc/03/46/31/394034631.db2.gz IIECDUXCESTAOY-CGTJXYLNSA-N 2 0 294.483 2.996 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000358377875 394105985 /nfs/dbraw/zinc/10/59/85/394105985.db2.gz UIPAKLOUXZGYTJ-OAOYMFHYSA-N 2 0 299.462 2.504 20 0 CFADRP CCc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000420252133 394105997 /nfs/dbraw/zinc/10/59/97/394105997.db2.gz AHIBVNVZJHVGQA-UONOGXRCSA-N 2 0 281.403 2.843 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358380091 394106099 /nfs/dbraw/zinc/10/60/99/394106099.db2.gz WOJUAXYVNVDXFL-WZRBSPASSA-N 2 0 260.372 2.883 20 0 CFADRP CCC1(C[NH2+]CC2(C)CC[NH+](C)CC2)CCOCC1 ZINC000358484378 394108802 /nfs/dbraw/zinc/10/88/02/394108802.db2.gz QRBWXMOSQOHHRT-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000358777855 394112545 /nfs/dbraw/zinc/11/25/45/394112545.db2.gz SSXSXDRKNPWINS-CABCVRRESA-N 2 0 268.470 2.877 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000420281052 394115048 /nfs/dbraw/zinc/11/50/48/394115048.db2.gz LZRNHNZKVFAWBQ-KGLIPLIRSA-N 2 0 269.392 2.895 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420282064 394115933 /nfs/dbraw/zinc/11/59/33/394115933.db2.gz AMBAIWUDCURTLE-ZBFHGGJFSA-N 2 0 276.424 2.687 20 0 CFADRP Cc1c[nH+]ccc1NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000358941183 394116281 /nfs/dbraw/zinc/11/62/81/394116281.db2.gz XPRHUVKCODQLQD-ZIAGYGMSSA-N 2 0 261.413 2.592 20 0 CFADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420382536 394118118 /nfs/dbraw/zinc/11/81/18/394118118.db2.gz PXRTUZDPMKYSSZ-DLBZAZTESA-N 2 0 299.422 2.525 20 0 CFADRP C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000420363349 394118224 /nfs/dbraw/zinc/11/82/24/394118224.db2.gz HVQXTVLONIGCGC-KRWDZBQOSA-N 2 0 280.456 2.801 20 0 CFADRP C(C[N@@H+]1CCO[C@H](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000420383324 394119756 /nfs/dbraw/zinc/11/97/56/394119756.db2.gz ZFTCKVYIXUEMKV-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP CN(Cc1ccccc1)[C@H](C[NH2+]CC1(C)COC1)C1CC1 ZINC000286017199 394180285 /nfs/dbraw/zinc/18/02/85/394180285.db2.gz PRBVTSRABVHGCM-QGZVFWFLSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000131288853 394129316 /nfs/dbraw/zinc/12/93/16/394129316.db2.gz UOYBLLINACUXIN-KRWDZBQOSA-N 2 0 273.424 2.840 20 0 CFADRP CC(C)OCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284411692 394137727 /nfs/dbraw/zinc/13/77/27/394137727.db2.gz XGILNHXSFHWILA-IAGOWNOFSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@@H]1CC[C@@]2(CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000359566448 394137858 /nfs/dbraw/zinc/13/78/58/394137858.db2.gz VQVJCENFRLBHFS-BZUAXINKSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441384139 394137982 /nfs/dbraw/zinc/13/79/82/394137982.db2.gz MXIHPNHRNVAQQA-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000359928186 394142920 /nfs/dbraw/zinc/14/29/20/394142920.db2.gz ZHFNOSDSPRMYEB-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000359928187 394143353 /nfs/dbraw/zinc/14/33/53/394143353.db2.gz ZHFNOSDSPRMYEB-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP CCC[N@@H+]1Cc2cccc(NC(=O)/C=C\c3ncc[nH]3)c2C1 ZINC000493107522 394149707 /nfs/dbraw/zinc/14/97/07/394149707.db2.gz QDURDEQJPPSJSW-SREVYHEPSA-N 2 0 296.374 2.787 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308655 394183984 /nfs/dbraw/zinc/18/39/84/394183984.db2.gz GPJVUOLQINGKBN-AQIKHJSRSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000422780897 394255648 /nfs/dbraw/zinc/25/56/48/394255648.db2.gz KYXAEDDKJMVDJG-UWVGGRQHSA-N 2 0 260.303 2.921 20 0 CFADRP C[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)CC1CCOCC1 ZINC000421366159 394203360 /nfs/dbraw/zinc/20/33/60/394203360.db2.gz BRYOZWWAIKPBCX-ODIFPOPNSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000421377755 394209369 /nfs/dbraw/zinc/20/93/69/394209369.db2.gz UGUXJVMJGWSDPP-UHFFFAOYSA-N 2 0 299.418 2.903 20 0 CFADRP Cc1c(Cl)c(C[NH2+]C(C)(C)CCC[NH+](C)C)nn1C ZINC000421386135 394214986 /nfs/dbraw/zinc/21/49/86/394214986.db2.gz RJHSAIFFYWFFOZ-UHFFFAOYSA-N 2 0 286.851 2.592 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422824317 394256898 /nfs/dbraw/zinc/25/68/98/394256898.db2.gz NLNLCZUEBOAIMB-WMLDXEAASA-N 2 0 279.472 2.501 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289177514 394215814 /nfs/dbraw/zinc/21/58/14/394215814.db2.gz IBAPTXDIMRPDAT-YOEHRIQHSA-N 2 0 276.424 2.793 20 0 CFADRP c1cc2cccc(C[NH2+][C@@H]3CCN(C4CC4)C3)c2o1 ZINC000449131790 394223894 /nfs/dbraw/zinc/22/38/94/394223894.db2.gz PQBSIGCYQCLYQD-CQSZACIVSA-N 2 0 256.349 2.759 20 0 CFADRP Cc1cnc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000449131692 394223999 /nfs/dbraw/zinc/22/39/99/394223999.db2.gz OWIYOGKLKQUEOH-CYBMUJFWSA-N 2 0 267.442 2.662 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCC12CCC2 ZINC000449148725 394229420 /nfs/dbraw/zinc/22/94/20/394229420.db2.gz KZWNWDJBUJJDMI-CVEARBPZSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422882648 394258046 /nfs/dbraw/zinc/25/80/46/394258046.db2.gz PIWNVTLNBAXRCA-ZJPYXAASSA-N 2 0 295.515 2.865 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000449180265 394244619 /nfs/dbraw/zinc/24/46/19/394244619.db2.gz ZHFOIKDCAMLTDH-ZMSDIMECSA-N 2 0 282.472 2.900 20 0 CFADRP CCCN(CC)CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421838244 394245990 /nfs/dbraw/zinc/24/59/90/394245990.db2.gz UZWNYIJRSJYYIA-INIZCTEOSA-N 2 0 275.440 2.651 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCC1 ZINC000449188677 394247312 /nfs/dbraw/zinc/24/73/12/394247312.db2.gz NYMRFSACLMOHHZ-BZSNNMDCSA-N 2 0 294.483 2.923 20 0 CFADRP C1=C(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422961138 394259722 /nfs/dbraw/zinc/25/97/22/394259722.db2.gz ARXVLYOFNBEFRX-GVDBMIGSSA-N 2 0 278.440 2.624 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000362379404 394184399 /nfs/dbraw/zinc/18/43/99/394184399.db2.gz IGAQWXUVWPAKGE-AWEZNQCLSA-N 2 0 274.408 2.579 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000133989162 394186819 /nfs/dbraw/zinc/18/68/19/394186819.db2.gz CHCKUFGNIIKBKX-HOTGVXAUSA-N 2 0 268.445 2.537 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422807522 394255258 /nfs/dbraw/zinc/25/52/58/394255258.db2.gz JWQNIZOQJVDXHX-QLFBSQMISA-N 2 0 256.434 2.558 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422978926 394260067 /nfs/dbraw/zinc/26/00/67/394260067.db2.gz KZJPLLDCOLECEW-NVXWUHKLSA-N 2 0 292.467 2.866 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423032784 394260773 /nfs/dbraw/zinc/26/07/73/394260773.db2.gz NDIGWXCUCFDTRX-OMNBBPDLSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCc2ccccc21 ZINC000423018459 394261295 /nfs/dbraw/zinc/26/12/95/394261295.db2.gz QYQAAZFSUFFDSJ-BPQIPLTHSA-N 2 0 272.436 2.998 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000423025422 394261338 /nfs/dbraw/zinc/26/13/38/394261338.db2.gz ODQVOVBVNZWKOF-KBXIAJHMSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000423068678 394263135 /nfs/dbraw/zinc/26/31/35/394263135.db2.gz KMYPXDXGJRGASE-BRWVUGGUSA-N 2 0 282.472 2.661 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000423074253 394264550 /nfs/dbraw/zinc/26/45/50/394264550.db2.gz UEPPOQGQISAWOR-MNOVXSKESA-N 2 0 272.339 2.546 20 0 CFADRP CCC[C@H](C)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050941 394265752 /nfs/dbraw/zinc/26/57/52/394265752.db2.gz IWPLOEUDWBBWBK-RDJZCZTQSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000423085168 394267591 /nfs/dbraw/zinc/26/75/91/394267591.db2.gz JUQJRTQNENFWNV-QMMMGPOBSA-N 2 0 262.731 2.835 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423084220 394267692 /nfs/dbraw/zinc/26/76/92/394267692.db2.gz HCINKABVGCTLSJ-RYRKJORJSA-N 2 0 287.451 2.620 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423089302 394268631 /nfs/dbraw/zinc/26/86/31/394268631.db2.gz SAJVZHUUBNUCMN-BHYGNILZSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091126 394269733 /nfs/dbraw/zinc/26/97/33/394269733.db2.gz ZLGPIYJHKXAXJD-HUUCEWRRSA-N 2 0 275.440 2.618 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000423092736 394269775 /nfs/dbraw/zinc/26/97/75/394269775.db2.gz DDVFUXNDQGILJS-HIFRSBDPSA-N 2 0 293.455 2.687 20 0 CFADRP COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423090047 394269796 /nfs/dbraw/zinc/26/97/96/394269796.db2.gz WPSBGDKDFJHBCP-BPQIPLTHSA-N 2 0 290.451 2.754 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423116679 394270631 /nfs/dbraw/zinc/27/06/31/394270631.db2.gz QZJGSEQBAAYRFY-FRRDWIJNSA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000423197347 394273602 /nfs/dbraw/zinc/27/36/02/394273602.db2.gz ZAUNDZSYYXXIIK-LLVKDONJSA-N 2 0 259.180 2.919 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449391863 394274432 /nfs/dbraw/zinc/27/44/32/394274432.db2.gz IQLXIIGVSMTKIZ-HOTGVXAUSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000449382936 394275082 /nfs/dbraw/zinc/27/50/82/394275082.db2.gz DVWRUHVPGVFTKD-YESZJQIVSA-N 2 0 293.499 2.712 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423373369 394278925 /nfs/dbraw/zinc/27/89/25/394278925.db2.gz RZRBPUIWVWWVFB-GZBFAFLISA-N 2 0 290.407 2.551 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423373690 394279120 /nfs/dbraw/zinc/27/91/20/394279120.db2.gz RZRBPUIWVWWVFB-UMVBOHGHSA-N 2 0 290.407 2.551 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423401432 394279488 /nfs/dbraw/zinc/27/94/88/394279488.db2.gz WDMDOLRXRDYMHK-WCQGTBRESA-N 2 0 253.777 2.656 20 0 CFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CC2 ZINC000423431192 394281363 /nfs/dbraw/zinc/28/13/63/394281363.db2.gz LNSVPMPLAPUHQM-WFASDCNBSA-N 2 0 292.423 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423465300 394282899 /nfs/dbraw/zinc/28/28/99/394282899.db2.gz HPELQNHKBKKQHY-SOUVJXGZSA-N 2 0 275.440 2.921 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423504729 394284554 /nfs/dbraw/zinc/28/45/54/394284554.db2.gz GJBBZWQXXFZMPH-VGAKTEPXSA-N 2 0 293.499 2.617 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000423508055 394285307 /nfs/dbraw/zinc/28/53/07/394285307.db2.gz NIGJGWGCRHYWGI-CQDKDKBSSA-N 2 0 282.815 2.745 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(F)c1F ZINC000423506867 394285590 /nfs/dbraw/zinc/28/55/90/394285590.db2.gz MLRZXUAVZKLPNP-GARJFASQSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423510600 394285981 /nfs/dbraw/zinc/28/59/81/394285981.db2.gz MQUQPFWZEIIRIW-CZUORRHYSA-N 2 0 272.396 2.551 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000423518659 394287998 /nfs/dbraw/zinc/28/79/98/394287998.db2.gz VCHBXLFCVOXAPK-IHRRRGAJSA-N 2 0 262.397 2.782 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000423523641 394289189 /nfs/dbraw/zinc/28/91/89/394289189.db2.gz YWMFGCXYLDNRKM-SRABZTEZSA-N 2 0 288.435 2.950 20 0 CFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000423522690 394289283 /nfs/dbraw/zinc/28/92/83/394289283.db2.gz XYZPSJZKSOOBCR-BGTYHANMSA-N 2 0 287.451 2.539 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000423520616 394289405 /nfs/dbraw/zinc/28/94/05/394289405.db2.gz FGTBTVCOUHJYOU-AWEZNQCLSA-N 2 0 284.407 2.665 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526453 394289913 /nfs/dbraw/zinc/28/99/13/394289913.db2.gz ZJDNRDGAHVOXQG-AOCRQIFASA-N 2 0 293.499 2.927 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCOC1 ZINC000423524703 394290556 /nfs/dbraw/zinc/29/05/56/394290556.db2.gz JWNFPLZWAKFICL-ALKVMWCTSA-N 2 0 292.467 2.545 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC)c(OC)c1 ZINC000423532301 394292106 /nfs/dbraw/zinc/29/21/06/394292106.db2.gz VBQKDHZNUZDVGJ-OAHLLOKOSA-N 2 0 292.423 2.887 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423532815 394292116 /nfs/dbraw/zinc/29/21/16/394292116.db2.gz VWQGJRCYDALBGS-ZIAGYGMSSA-N 2 0 276.424 2.919 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000153803957 394292332 /nfs/dbraw/zinc/29/23/32/394292332.db2.gz DIOZZTOSVRUIHV-GUYCJALGSA-N 2 0 294.414 2.617 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000153771164 394292801 /nfs/dbraw/zinc/29/28/01/394292801.db2.gz GMDKMVXFXLYCFK-CQSZACIVSA-N 2 0 282.453 2.683 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536102 394293015 /nfs/dbraw/zinc/29/30/15/394293015.db2.gz GNTAOSWNALJPSR-ZDUSSCGKSA-N 2 0 262.372 2.656 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423535054 394293140 /nfs/dbraw/zinc/29/31/40/394293140.db2.gz BTSKLTHSLDXSCV-CYBMUJFWSA-N 2 0 296.336 2.991 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423537470 394293728 /nfs/dbraw/zinc/29/37/28/394293728.db2.gz KAPQCBVZJCZDAV-MRXNPFEDSA-N 2 0 290.382 2.939 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538430 394293802 /nfs/dbraw/zinc/29/38/02/394293802.db2.gz GHWQAEKACNTEGF-LEOABGAYSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539339 394293840 /nfs/dbraw/zinc/29/38/40/394293840.db2.gz BFSVFXQHOVCDHF-VDHUWJSZSA-N 2 0 287.451 2.771 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423540104 394293878 /nfs/dbraw/zinc/29/38/78/394293878.db2.gz CXCLYPVLLVTNBJ-OVYGPGRDSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537541 394294086 /nfs/dbraw/zinc/29/40/86/394294086.db2.gz KIXAPTRHCXPMCJ-AWEZNQCLSA-N 2 0 298.434 2.783 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538997 394294111 /nfs/dbraw/zinc/29/41/11/394294111.db2.gz HLOQSIVDUQTMTR-SYAUCNOPSA-N 2 0 276.399 2.734 20 0 CFADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423537707 394294286 /nfs/dbraw/zinc/29/42/86/394294286.db2.gz KROJWMJGYJPPNQ-AWEZNQCLSA-N 2 0 263.360 2.571 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423541087 394294785 /nfs/dbraw/zinc/29/47/85/394294785.db2.gz FDHVUQDOEAKYIY-ZJIFWQFVSA-N 2 0 268.445 2.844 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000423552463 394296551 /nfs/dbraw/zinc/29/65/51/394296551.db2.gz UZAFWSLFPXZQSY-JZAWBGDQSA-N 2 0 294.483 2.948 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000423551882 394296606 /nfs/dbraw/zinc/29/66/06/394296606.db2.gz UPNMXWLLTNKCJF-CYUUQNCZSA-N 2 0 292.398 2.873 20 0 CFADRP c1cncc([C@H]2CCC[C@H]([NH2+]CCC[NH2+]C3CC3)C2)c1 ZINC000423553059 394296672 /nfs/dbraw/zinc/29/66/72/394296672.db2.gz KEMZUMVHLFPEJW-YOEHRIQHSA-N 2 0 273.424 2.840 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000423556258 394297364 /nfs/dbraw/zinc/29/73/64/394297364.db2.gz YTXBYFDRPXMRQR-IGQOVBAYSA-N 2 0 292.398 2.873 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)s1 ZINC000154915412 394305163 /nfs/dbraw/zinc/30/51/63/394305163.db2.gz BKYDJJKMSJGZAB-JSGCOSHPSA-N 2 0 295.496 2.651 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000155825491 394323749 /nfs/dbraw/zinc/32/37/49/394323749.db2.gz XJWLSNFDPJPSSN-IKGGRYGDSA-N 2 0 283.504 2.814 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(C)C)[C@@H]1CCCO1 ZINC000450727516 394328257 /nfs/dbraw/zinc/32/82/57/394328257.db2.gz MPVJMHFPSHVCMY-JYJNAYRXSA-N 2 0 268.445 2.797 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cs1 ZINC000157072377 394341157 /nfs/dbraw/zinc/34/11/57/394341157.db2.gz JLUSVTIXKVXDOZ-GXTWGEPZSA-N 2 0 281.469 2.568 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000157454827 394346198 /nfs/dbraw/zinc/34/61/98/394346198.db2.gz JCZPSMJDQAPKMG-UONOGXRCSA-N 2 0 264.388 2.688 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000453368124 394391447 /nfs/dbraw/zinc/39/14/47/394391447.db2.gz UKTZZHIEAYYJEN-PLTIAYLTSA-N 2 0 286.419 2.897 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000157892435 394351770 /nfs/dbraw/zinc/35/17/70/394351770.db2.gz WIQGYJGOCFUDQD-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000158677102 394360036 /nfs/dbraw/zinc/36/00/36/394360036.db2.gz XFHXVBGFZKAXOZ-TWMKSMIVSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCC2CCCC2)[C@@H](C)C1 ZINC000453384106 394393506 /nfs/dbraw/zinc/39/35/06/394393506.db2.gz CLSBKAIUTBBGLA-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528114831 394393485 /nfs/dbraw/zinc/39/34/85/394393485.db2.gz BRHPJSXJHGGCJD-OAHLLOKOSA-N 2 0 259.397 2.631 20 0 CFADRP CC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000451847128 394377938 /nfs/dbraw/zinc/37/79/38/394377938.db2.gz SFDFRONPZZTINB-SJORKVTESA-N 2 0 281.488 2.665 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000453062141 394381484 /nfs/dbraw/zinc/38/14/84/394381484.db2.gz QAZXZUVKTZDWQR-KGLIPLIRSA-N 2 0 264.417 2.715 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000178408696 394388159 /nfs/dbraw/zinc/38/81/59/394388159.db2.gz FEYBTXIKHXQIRO-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527663411 394396382 /nfs/dbraw/zinc/39/63/82/394396382.db2.gz ZPPDHXUIKVCAPI-DACLVMHWSA-N 2 0 292.467 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000453404548 394397870 /nfs/dbraw/zinc/39/78/70/394397870.db2.gz DLGILWFKHFFNOL-IHRRRGAJSA-N 2 0 272.383 2.884 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000453406420 394398295 /nfs/dbraw/zinc/39/82/95/394398295.db2.gz FXJPPQZLRALXJA-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453410751 394399832 /nfs/dbraw/zinc/39/98/32/394399832.db2.gz VBTJBAAXWKADOF-JKSUJKDBSA-N 2 0 280.456 2.798 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CC2 ZINC000280216638 542897690 /nfs/dbraw/zinc/89/76/90/542897690.db2.gz ULLLJBJPTSYAEA-SWLSCSKDSA-N 2 0 292.423 2.621 20 0 CFADRP COc1ccccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527805295 394410411 /nfs/dbraw/zinc/41/04/11/394410411.db2.gz GLLQPQWGSXEXMG-INIZCTEOSA-N 2 0 274.408 2.802 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C)C1 ZINC000527924339 394426402 /nfs/dbraw/zinc/42/64/02/394426402.db2.gz GKXVDRYNCHSSSK-SUJAAXHWSA-N 2 0 250.430 2.743 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000527924380 394426411 /nfs/dbraw/zinc/42/64/11/394426411.db2.gz HEOOWAQOVWINJF-OAGGEKHMSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)[C@@]1(C)CCCO1 ZINC000527944354 394429412 /nfs/dbraw/zinc/42/94/12/394429412.db2.gz CUFQDYITXIAHJT-USXIJHARSA-N 2 0 280.456 2.941 20 0 CFADRP CCCn1ccnc1CCCN(C)c1ncccc1OC ZINC000527984549 394435581 /nfs/dbraw/zinc/43/55/81/394435581.db2.gz ZNWXECQHEKWLJU-UHFFFAOYSA-N 2 0 288.395 2.766 20 0 CFADRP c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530178366 394471884 /nfs/dbraw/zinc/47/18/84/394471884.db2.gz KNKKADRDEHVTFL-KRWDZBQOSA-N 2 0 285.435 2.530 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178849 394472337 /nfs/dbraw/zinc/47/23/37/394472337.db2.gz RROWHDSLLXYJLY-ZBFHGGJFSA-N 2 0 258.409 2.882 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000530179192 394473408 /nfs/dbraw/zinc/47/34/08/394473408.db2.gz QLHJQRQELFYOJW-KBAYOESNSA-N 2 0 299.462 2.524 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000530208618 394480612 /nfs/dbraw/zinc/48/06/12/394480612.db2.gz GBOLWNWFZNCHLP-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP COCCC1CC[NH+]([C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000530214916 394482759 /nfs/dbraw/zinc/48/27/59/394482759.db2.gz YXEZVGGMRDFJPW-CQSZACIVSA-N 2 0 291.439 2.658 20 0 CFADRP C[C@@H]([NH2+]CC1CCc2ccccc2CC1)[C@@H]1CCC[NH2+]1 ZINC000530214296 394483126 /nfs/dbraw/zinc/48/31/26/394483126.db2.gz XEGUBQKYRONUIT-KDOFPFPSSA-N 2 0 272.436 2.912 20 0 CFADRP FC(F)(F)c1ncccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000530221183 394487682 /nfs/dbraw/zinc/48/76/82/394487682.db2.gz OGDGMRDGCQBYJS-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000530221835 394488730 /nfs/dbraw/zinc/48/87/30/394488730.db2.gz YODHMTIOPTWQQD-IJEWVQPXSA-N 2 0 259.397 2.782 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2(C)CCC(F)(F)CC2)CC[NH2+]1 ZINC000530244762 394494950 /nfs/dbraw/zinc/49/49/50/394494950.db2.gz NHFGSPXTYABDAW-NWDGAFQWSA-N 2 0 260.372 2.932 20 0 CFADRP COc1ccc(C(C)(C)[NH2+]CC2CC[NH2+]CC2)cc1F ZINC000530244933 394495074 /nfs/dbraw/zinc/49/50/74/394495074.db2.gz REARELNIQBYGKG-UHFFFAOYSA-N 2 0 280.387 2.659 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000530386927 394510743 /nfs/dbraw/zinc/51/07/43/394510743.db2.gz WPQSGUMSRUPNJT-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000536854636 394573109 /nfs/dbraw/zinc/57/31/09/394573109.db2.gz ZAHLHZGIJCCDOW-XBVQOTNRSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537306705 394579583 /nfs/dbraw/zinc/57/95/83/394579583.db2.gz KGFXIQBIWZIWHF-GFCCVEGCSA-N 2 0 250.411 2.531 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000535797042 394545645 /nfs/dbraw/zinc/54/56/45/394545645.db2.gz DCURJMNSCPUCCP-UHFFFAOYSA-N 2 0 286.423 2.727 20 0 CFADRP CC(C)[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccnc1 ZINC000538115993 394598119 /nfs/dbraw/zinc/59/81/19/394598119.db2.gz GYBTYDQVFJVLRW-HOCLYGCPSA-N 2 0 261.413 2.710 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000539053964 394620536 /nfs/dbraw/zinc/62/05/36/394620536.db2.gz JXOABVMOGISTET-RHSMWYFYSA-N 2 0 290.451 2.903 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1cccs1 ZINC000539067367 394621940 /nfs/dbraw/zinc/62/19/40/394621940.db2.gz SANTVDSTMBCFJW-OCCSQVGLSA-N 2 0 252.427 2.611 20 0 CFADRP CC[C@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000542464632 394704615 /nfs/dbraw/zinc/70/46/15/394704615.db2.gz CNGXJLGOKVJADP-XUWVNRHRSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCCCC1 ZINC000544357649 394756594 /nfs/dbraw/zinc/75/65/94/394756594.db2.gz VWCHIVDADNQSRV-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP COCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000532290189 542961822 /nfs/dbraw/zinc/96/18/22/542961822.db2.gz LEEGPFTUIQDEIT-IXDOHACOSA-N 2 0 282.472 2.998 20 0 CFADRP c1cc2cnccc2c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000061125343 542966117 /nfs/dbraw/zinc/96/61/17/542966117.db2.gz CXIGMVQEVBWORZ-CQSZACIVSA-N 2 0 281.403 2.809 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125332 542966146 /nfs/dbraw/zinc/96/61/46/542966146.db2.gz RERYJAGZFLFBMQ-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166754727 542966792 /nfs/dbraw/zinc/96/67/92/542966792.db2.gz JDNJSXYKYGBBSR-DLBZAZTESA-N 2 0 281.488 2.712 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CN1C1CC1 ZINC000556726653 395011265 /nfs/dbraw/zinc/01/12/65/395011265.db2.gz BORLYRQKNIVBJN-SUMWQHHRSA-N 2 0 270.420 2.616 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000556870753 395022608 /nfs/dbraw/zinc/02/26/08/395022608.db2.gz HNSFHHFCDNMKRU-UHFFFAOYSA-N 2 0 268.351 2.927 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000556892600 395022862 /nfs/dbraw/zinc/02/28/62/395022862.db2.gz KVRURSMKIOJKKB-QLFBSQMISA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC000554722146 394957673 /nfs/dbraw/zinc/95/76/73/394957673.db2.gz IVSYWGLFYAQWDH-ZNMIVQPWSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000557171578 395032071 /nfs/dbraw/zinc/03/20/71/395032071.db2.gz VLWNVQXKXYCBQZ-BBRMVZONSA-N 2 0 297.402 2.605 20 0 CFADRP CC(C)(C)OC(=O)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000557495400 395037018 /nfs/dbraw/zinc/03/70/18/395037018.db2.gz BXOHHVCUBYWQDS-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000648484828 395169193 /nfs/dbraw/zinc/16/91/93/395169193.db2.gz HFTQESGTYDUUFU-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000180043620 543010317 /nfs/dbraw/zinc/01/03/17/543010317.db2.gz MLQGLNSMUBKLJI-GFCCVEGCSA-N 2 0 272.396 2.631 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648590342 395209242 /nfs/dbraw/zinc/20/92/42/395209242.db2.gz TVNOWOCUJIDFOF-QLFBSQMISA-N 2 0 256.434 2.654 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648590238 395209591 /nfs/dbraw/zinc/20/95/91/395209591.db2.gz TVNOWOCUJIDFOF-KKUMJFAQSA-N 2 0 256.434 2.654 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000648594419 395212732 /nfs/dbraw/zinc/21/27/32/395212732.db2.gz JFGGRUWIPFEKQB-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000647345085 395307870 /nfs/dbraw/zinc/30/78/70/395307870.db2.gz DHEOTKPNEMMKHH-CXAGYDPISA-N 2 0 294.414 2.569 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482845 395354857 /nfs/dbraw/zinc/35/48/57/395354857.db2.gz CLNSGTKZEYIEBI-GQCTYLIASA-N 2 0 286.419 2.925 20 0 CFADRP c1ccc(CN(CC[C@H]2CCOC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000647493797 395358312 /nfs/dbraw/zinc/35/83/12/395358312.db2.gz QMEQOOMTQNJEAE-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP CC[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647498816 395364179 /nfs/dbraw/zinc/36/41/79/395364179.db2.gz RIAVXBXJURVNBZ-PUFASFLSSA-N 2 0 262.372 2.898 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1[NH3+] ZINC000647498878 395364594 /nfs/dbraw/zinc/36/45/94/395364594.db2.gz SNKSBDMEVLYCSF-UKRRQHHQSA-N 2 0 298.377 2.890 20 0 CFADRP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000647518617 395372688 /nfs/dbraw/zinc/37/26/88/395372688.db2.gz SMAWVQXBYGFISL-PWSUYJOCSA-N 2 0 264.335 2.649 20 0 CFADRP Fc1ccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000647518149 395372904 /nfs/dbraw/zinc/37/29/04/395372904.db2.gz ILQMBQYAOVKHAP-CYBMUJFWSA-N 2 0 262.372 2.794 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647532994 395377031 /nfs/dbraw/zinc/37/70/31/395377031.db2.gz JJMKGKPHENSCIY-KKUMJFAQSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000647535630 395381039 /nfs/dbraw/zinc/38/10/39/395381039.db2.gz BGUJKYVHJWPYCC-SNVBAGLBSA-N 2 0 258.818 2.962 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000647541297 395383356 /nfs/dbraw/zinc/38/33/56/395383356.db2.gz XZQYCBVFAWPDAP-QGZVFWFLSA-N 2 0 269.392 2.938 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543575 395385016 /nfs/dbraw/zinc/38/50/16/395385016.db2.gz PSBWUAZLMFUPNV-UONOGXRCSA-N 2 0 293.480 2.917 20 0 CFADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647546454 395386783 /nfs/dbraw/zinc/38/67/83/395386783.db2.gz KXBKAHYEYHFQBI-ZGMNHVEMSA-N 2 0 259.397 2.506 20 0 CFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000647546866 395387287 /nfs/dbraw/zinc/38/72/87/395387287.db2.gz FGZTZWZOQCBVKX-LBPRGKRZSA-N 2 0 290.411 2.596 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549583 395388037 /nfs/dbraw/zinc/38/80/37/395388037.db2.gz ITNJTGLYFVOQEL-IJLUTSLNSA-N 2 0 282.790 2.957 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549315 395388564 /nfs/dbraw/zinc/38/85/64/395388564.db2.gz SNPSQVXFKTYIEI-HLPPOEQASA-N 2 0 292.398 2.571 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc2n1 ZINC000647552036 395390506 /nfs/dbraw/zinc/39/05/06/395390506.db2.gz BJUPJANGCZJIHR-YPMHNXCESA-N 2 0 257.381 2.759 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2ncccc2C(F)(F)F)cc1 ZINC000647553242 395391798 /nfs/dbraw/zinc/39/17/98/395391798.db2.gz LWHFCKGNRNKLHE-UHFFFAOYSA-N 2 0 295.308 2.849 20 0 CFADRP Cc1cccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)c1 ZINC000647553035 395392064 /nfs/dbraw/zinc/39/20/64/395392064.db2.gz USYCXPDNGCYUAI-UHFFFAOYSA-N 2 0 258.409 2.963 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1OC(C)C ZINC000647552770 395392341 /nfs/dbraw/zinc/39/23/41/395392341.db2.gz VRCGTYKPHXPMHW-STQMWFEESA-N 2 0 280.412 2.698 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000647882189 395451779 /nfs/dbraw/zinc/45/17/79/395451779.db2.gz UEKCSMJRLXDECI-QGZVFWFLSA-N 2 0 274.408 2.919 20 0 CFADRP CC[N@H+](CCC1CC[NH2+]CC1)CCC(F)(F)F ZINC000647883503 395452149 /nfs/dbraw/zinc/45/21/49/395452149.db2.gz XIOPCXBGPCCWPG-UHFFFAOYSA-N 2 0 252.324 2.650 20 0 CFADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884372 395452302 /nfs/dbraw/zinc/45/23/02/395452302.db2.gz HXXBTOXPFLQJNK-ZBFHGGJFSA-N 2 0 274.408 2.832 20 0 CFADRP c1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)CC2CCOCC2)cc1 ZINC000647885002 395452325 /nfs/dbraw/zinc/45/23/25/395452325.db2.gz WDADWGOOLNWOLX-GOSISDBHSA-N 2 0 288.435 2.525 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](OCC)C1(C)C ZINC000647888101 395453464 /nfs/dbraw/zinc/45/34/64/395453464.db2.gz MMISYJZQVLEFOC-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886770 395453594 /nfs/dbraw/zinc/45/35/94/395453594.db2.gz RLHDPEDRVDUXIO-HRCADAONSA-N 2 0 258.409 2.782 20 0 CFADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886801 395453613 /nfs/dbraw/zinc/45/36/13/395453613.db2.gz WXLWOYLWOSBCAK-UMVBOHGHSA-N 2 0 262.372 2.613 20 0 CFADRP CC1([NH3+])CC[NH+](CCSc2ccccc2)CC1 ZINC000647925652 395459294 /nfs/dbraw/zinc/45/92/94/395459294.db2.gz RPUXCCNONGVWEL-UHFFFAOYSA-N 2 0 250.411 2.592 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647934312 395460728 /nfs/dbraw/zinc/46/07/28/395460728.db2.gz ADPKUORTLOEAOI-OCCSQVGLSA-N 2 0 264.438 2.968 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647936569 395461551 /nfs/dbraw/zinc/46/15/51/395461551.db2.gz HHKRHCUBLTUHOF-NVXWUHKLSA-N 2 0 276.424 2.687 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976338 395471745 /nfs/dbraw/zinc/47/17/45/395471745.db2.gz NGZBEAUMWZKJAU-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786446 395428105 /nfs/dbraw/zinc/42/81/05/395428105.db2.gz PGEZNPPADRVIHK-QLFBSQMISA-N 2 0 270.376 2.911 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786499 395428151 /nfs/dbraw/zinc/42/81/51/395428151.db2.gz QVXAOKHCEOQRPQ-FVQBIDKESA-N 2 0 274.408 2.563 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647788551 395428688 /nfs/dbraw/zinc/42/86/88/395428688.db2.gz LWOMDWPPTBEBSS-ZMSDIMECSA-N 2 0 270.420 2.696 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647788549 395428861 /nfs/dbraw/zinc/42/88/61/395428861.db2.gz LWOMDWPPTBEBSS-HLLBOEOZSA-N 2 0 270.420 2.696 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC(C)C ZINC000647787934 395428884 /nfs/dbraw/zinc/42/88/84/395428884.db2.gz BEBWIELRSOUFPC-FJIDUMEYSA-N 2 0 295.515 2.721 20 0 CFADRP c1ccc(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788737 395428894 /nfs/dbraw/zinc/42/88/94/395428894.db2.gz PNBGYSIMBCOEEY-RCCFBDPRSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647788851 395428922 /nfs/dbraw/zinc/42/89/22/395428922.db2.gz SPQKRNPALMNPLT-QBPKDAKJSA-N 2 0 288.435 2.740 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788344 395428977 /nfs/dbraw/zinc/42/89/77/395428977.db2.gz ICINMOGMUDULNG-LTIDMASMSA-N 2 0 288.435 2.740 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000647791713 395429551 /nfs/dbraw/zinc/42/95/51/395429551.db2.gz KWHXZQPHTVPUKY-KLHDSHLOSA-N 2 0 280.456 2.559 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647791525 395429922 /nfs/dbraw/zinc/42/99/22/395429922.db2.gz GQPPMGSOUQJIFN-DUQPFJRNSA-N 2 0 270.420 2.910 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647791528 395429971 /nfs/dbraw/zinc/42/99/71/395429971.db2.gz GQPPMGSOUQJIFN-UYTYNIKBSA-N 2 0 270.420 2.910 20 0 CFADRP Clc1cccc2c1OC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647792031 395430248 /nfs/dbraw/zinc/43/02/48/395430248.db2.gz RPHLYWMKXAYKST-OHTBPHCPSA-N 2 0 292.810 2.751 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000647793753 395430336 /nfs/dbraw/zinc/43/03/36/395430336.db2.gz HCBVOYDIJFIICM-OKZBNKHCSA-N 2 0 284.447 2.769 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793400 395430388 /nfs/dbraw/zinc/43/03/88/395430388.db2.gz WNTHSYZWWOWTEJ-XQHKEYJVSA-N 2 0 258.356 2.542 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647791874 395430529 /nfs/dbraw/zinc/43/05/29/395430529.db2.gz OYQXYQHMHZJQMT-OFQRWUPVSA-N 2 0 286.419 2.662 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000647793852 395431271 /nfs/dbraw/zinc/43/12/71/395431271.db2.gz JVNRAQIRNPDVLI-FMKGYKFTSA-N 2 0 279.453 2.533 20 0 CFADRP c1cc2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000647796501 395432214 /nfs/dbraw/zinc/43/22/14/395432214.db2.gz BGOPZANSPBEURY-GVDBMIGSSA-N 2 0 283.419 2.688 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000647796980 395432461 /nfs/dbraw/zinc/43/24/61/395432461.db2.gz TWKPFPOONXEXMZ-DJIMGWMZSA-N 2 0 283.419 2.954 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796740 395432576 /nfs/dbraw/zinc/43/25/76/395432576.db2.gz LTVPZRRZSMODQY-HRCADAONSA-N 2 0 276.399 2.736 20 0 CFADRP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799574 395433461 /nfs/dbraw/zinc/43/34/61/395433461.db2.gz LCMWEDNXNIFBFQ-ZLVKTETGSA-N 2 0 274.383 2.601 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CC(F)F ZINC000647801207 395434272 /nfs/dbraw/zinc/43/42/72/395434272.db2.gz QYJHGFIQZGWJRY-SCRDCRAPSA-N 2 0 270.367 2.826 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000647801603 395434955 /nfs/dbraw/zinc/43/49/55/395434955.db2.gz YXBAHENKOUIADV-SVGFKBNWSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(c2ccccc2F)CCC1 ZINC000647802434 395435733 /nfs/dbraw/zinc/43/57/33/395435733.db2.gz LJXJFOTXQQXHBV-VXGBXAGGSA-N 2 0 250.361 2.920 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000647802841 395435743 /nfs/dbraw/zinc/43/57/43/395435743.db2.gz VNVXLWYLJCVZNL-INIZCTEOSA-N 2 0 276.424 2.718 20 0 CFADRP CCc1cccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814227 395438521 /nfs/dbraw/zinc/43/85/21/395438521.db2.gz DJPWSZQZLKRBSK-UHFFFAOYSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815336 395439313 /nfs/dbraw/zinc/43/93/13/395439313.db2.gz ZZIGNSXGHALGKG-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000649411586 395489131 /nfs/dbraw/zinc/48/91/31/395489131.db2.gz IXGIYBTXCACCHF-KRWDZBQOSA-N 3 0 293.499 2.574 20 0 CFADRP c1csc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649413906 395489177 /nfs/dbraw/zinc/48/91/77/395489177.db2.gz RIFINWALKNNGOF-UHFFFAOYSA-N 2 0 293.480 2.650 20 0 CFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(F)F ZINC000648052217 395491175 /nfs/dbraw/zinc/49/11/75/395491175.db2.gz VHEDSALILFNPHR-LBPRGKRZSA-N 2 0 283.366 2.931 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000649965080 395596411 /nfs/dbraw/zinc/59/64/11/395596411.db2.gz YVDNWSPGRZGECS-KLHDSHLOSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000649903668 395588500 /nfs/dbraw/zinc/58/85/00/395588500.db2.gz SQTQKHNEFJKGJO-CHWSQXEVSA-N 2 0 258.356 2.592 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CO)CCC3)CC2)C1 ZINC000183234223 543036413 /nfs/dbraw/zinc/03/64/13/543036413.db2.gz BKNAJCOSENFHDP-NVXWUHKLSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)OCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186635443 543053238 /nfs/dbraw/zinc/05/32/38/543053238.db2.gz XLZYBIVIIKDUCH-OAHLLOKOSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382033481 543093491 /nfs/dbraw/zinc/09/34/91/543093491.db2.gz FMODIYUAKYAPPO-DOTOQJQBSA-N 2 0 290.451 2.505 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000312525686 413091523 /nfs/dbraw/zinc/09/15/23/413091523.db2.gz PCWNBAYACOIVLM-RDJZCZTQSA-N 2 0 274.408 2.646 20 0 CFADRP C[C@H]([NH2+]CCOCC1CCCC1)C1CC[NH+](C)CC1 ZINC000313268417 413094082 /nfs/dbraw/zinc/09/40/82/413094082.db2.gz LXJYJVKIMJXKKW-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP OCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000372419860 296549247 /nfs/dbraw/zinc/54/92/47/296549247.db2.gz FIZXXSAJZPKPPA-RHSMWYFYSA-N 2 0 280.456 2.534 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000401027239 413160246 /nfs/dbraw/zinc/16/02/46/413160246.db2.gz VCDOSUPCXPWNPE-GMTAPVOTSA-N 2 0 270.829 2.879 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401061169 413160895 /nfs/dbraw/zinc/16/08/95/413160895.db2.gz XAYYCJAMFUXFGY-CGTJXYLNSA-N 2 0 288.435 2.701 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CC2CCC1CC2 ZINC000401037721 413161219 /nfs/dbraw/zinc/16/12/19/413161219.db2.gz NQUSJIWKGMGQAT-HPDBQLEWSA-N 2 0 262.441 2.790 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000401027243 413161261 /nfs/dbraw/zinc/16/12/61/413161261.db2.gz VCDOSUPCXPWNPE-OUAUKWLOSA-N 2 0 270.829 2.879 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401112544 413159544 /nfs/dbraw/zinc/15/95/44/413159544.db2.gz HCFFUWPVZVAUEK-YESZJQIVSA-N 2 0 258.409 2.597 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)COC1CCCCC1 ZINC000401049867 413159709 /nfs/dbraw/zinc/15/97/09/413159709.db2.gz XQNJIJVBUFUQKQ-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400999674 413159852 /nfs/dbraw/zinc/15/98/52/413159852.db2.gz GHAWJBUAUQZASW-YNEHKIRRSA-N 2 0 250.411 2.534 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401006406 413159875 /nfs/dbraw/zinc/15/98/75/413159875.db2.gz JTPOHLXFFPPRLH-OWCLPIDISA-N 2 0 274.408 2.563 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401124821 413159923 /nfs/dbraw/zinc/15/99/23/413159923.db2.gz KSRFWVDMTOTDSZ-IACUBPJLSA-N 2 0 296.361 2.766 20 0 CFADRP COC1(C[NH2+]CCC[N@H+](C)C(C)C)CCCCC1 ZINC000319114923 292121114 /nfs/dbraw/zinc/12/11/14/292121114.db2.gz AJGQKIKZJCYZMM-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)C[C@@H](CNc1[nH+]ccc2[nH]ccc21)[NH+](C)C ZINC000663378788 413168730 /nfs/dbraw/zinc/16/87/30/413168730.db2.gz FRVXBGHMPSNGSP-LBPRGKRZSA-N 2 0 260.385 2.951 20 0 CFADRP CO[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000393299704 397544724 /nfs/dbraw/zinc/54/47/24/397544724.db2.gz HDKFQICAOJRDCZ-WFVVYAPDSA-N 2 0 274.408 2.589 20 0 CFADRP CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228537095 397624201 /nfs/dbraw/zinc/62/42/01/397624201.db2.gz FDHSSOQENBPRFB-NUEKZKHPSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402754396 413173525 /nfs/dbraw/zinc/17/35/25/413173525.db2.gz BMSMQNUMVCAHTL-NOLJZWGESA-N 2 0 262.372 2.948 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c(F)c1 ZINC000650755956 397884755 /nfs/dbraw/zinc/88/47/55/397884755.db2.gz QGLLZHFVDKPLSL-INIZCTEOSA-N 2 0 292.398 2.723 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000650762523 397886886 /nfs/dbraw/zinc/88/68/86/397886886.db2.gz CODVCAVEMRBNQF-HZPDHXFCSA-N 2 0 250.430 2.935 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000650761773 397886976 /nfs/dbraw/zinc/88/69/76/397886976.db2.gz KOMUHZUMOJKPMN-KRWDZBQOSA-N 2 0 274.408 2.749 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650762460 397887057 /nfs/dbraw/zinc/88/70/57/397887057.db2.gz AZLFJRDRXVVMAF-MRXNPFEDSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762520 397887203 /nfs/dbraw/zinc/88/72/03/397887203.db2.gz CLYLRGMINLPHRS-SNVBAGLBSA-N 2 0 252.324 2.697 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000650761689 397887324 /nfs/dbraw/zinc/88/73/24/397887324.db2.gz HWVQICNOBXFIMY-UHFFFAOYSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC000650703650 397860042 /nfs/dbraw/zinc/86/00/42/397860042.db2.gz KGCGTLOPGFEHTR-UKRRQHHQSA-N 2 0 258.409 2.653 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000650705714 397860470 /nfs/dbraw/zinc/86/04/70/397860470.db2.gz STRFFMLKTPQKPJ-UAGQMJEPSA-N 2 0 292.398 2.544 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706777 397860791 /nfs/dbraw/zinc/86/07/91/397860791.db2.gz SBJLGOZBJBTBSK-RRFJBIMHSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@H]1C[NH3+] ZINC000650704363 397860838 /nfs/dbraw/zinc/86/08/38/397860838.db2.gz VHTUYDHUUCYODM-XJKSGUPXSA-N 2 0 258.409 2.592 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707644 397860872 /nfs/dbraw/zinc/86/08/72/397860872.db2.gz KAVFIYKQGSAIRT-YHUYYLMFSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1F ZINC000650763471 397887788 /nfs/dbraw/zinc/88/77/88/397887788.db2.gz AMGLGBKGVLKLSF-GFCCVEGCSA-N 2 0 250.361 2.866 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC000650708391 397861658 /nfs/dbraw/zinc/86/16/58/397861658.db2.gz ZBPSNWLGLIMUFO-BRWVUGGUSA-N 2 0 280.456 2.785 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707775 397861708 /nfs/dbraw/zinc/86/17/08/397861708.db2.gz MXOJKUYYWMONBG-SOUVJXGZSA-N 2 0 268.445 2.641 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762927 397887871 /nfs/dbraw/zinc/88/78/71/397887871.db2.gz NPUVXWDKWSNHOL-KRWDZBQOSA-N 2 0 273.424 2.913 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000650709663 397863150 /nfs/dbraw/zinc/86/31/50/397863150.db2.gz KZGABTVVIOMGPF-WMZOPIPTSA-N 2 0 288.435 2.906 20 0 CFADRP CC[C@@H](OCC[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000650710334 397863199 /nfs/dbraw/zinc/86/31/99/397863199.db2.gz MKJKYYZSFYWVPE-SJORKVTESA-N 2 0 276.424 2.744 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763275 397887943 /nfs/dbraw/zinc/88/79/43/397887943.db2.gz WJGMZZJVSZKQKO-WMLDXEAASA-N 2 0 276.424 2.742 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000650712243 397864529 /nfs/dbraw/zinc/86/45/29/397864529.db2.gz XPKMNODPEPVXCP-WMLDXEAASA-N 2 0 275.440 2.772 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000650712175 397864544 /nfs/dbraw/zinc/86/45/44/397864544.db2.gz UNUGVZDSAGNNJU-UHFFFAOYSA-N 2 0 272.314 2.924 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650712246 397864922 /nfs/dbraw/zinc/86/49/22/397864922.db2.gz XREDLMIZJWCYNE-CJNGLKHVSA-N 2 0 278.444 2.722 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650713066 397865078 /nfs/dbraw/zinc/86/50/78/397865078.db2.gz CVCMBZSPXCLTRX-RDJZCZTQSA-N 3 0 287.451 2.541 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000650714037 397865516 /nfs/dbraw/zinc/86/55/16/397865516.db2.gz OKOULADYBZVNIR-UHFFFAOYSA-N 2 0 256.752 2.698 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000650714348 397865855 /nfs/dbraw/zinc/86/58/55/397865855.db2.gz ZSMRRGVAFMOGDM-UHFFFAOYSA-N 2 0 256.752 2.698 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1C[NH3+] ZINC000650714457 397865965 /nfs/dbraw/zinc/86/59/65/397865965.db2.gz GFOYURIPTRAYCK-UKRRQHHQSA-N 2 0 290.432 2.697 20 0 CFADRP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717532 397867823 /nfs/dbraw/zinc/86/78/23/397867823.db2.gz DKSJPRRYESWWTQ-AWEZNQCLSA-N 2 0 250.361 2.953 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(F)c1F ZINC000650719389 397869167 /nfs/dbraw/zinc/86/91/67/397869167.db2.gz OEPYNSUDIBAMHK-UHFFFAOYSA-N 2 0 276.330 2.974 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000650719905 397869222 /nfs/dbraw/zinc/86/92/22/397869222.db2.gz AHEUJXAPAWVVBQ-CRAIPNDOSA-N 3 0 289.467 2.806 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721962 397870238 /nfs/dbraw/zinc/87/02/38/397870238.db2.gz HIIFOWNPBNTGTI-KURKYZTESA-N 2 0 288.435 2.856 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000650722077 397870262 /nfs/dbraw/zinc/87/02/62/397870262.db2.gz KAYSJDVHTMKDEY-BRWVUGGUSA-N 2 0 292.398 2.687 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764435 397888558 /nfs/dbraw/zinc/88/85/58/397888558.db2.gz YORQMFDRTJAGAT-CQSZACIVSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764252 397888611 /nfs/dbraw/zinc/88/86/11/397888611.db2.gz UPKGRYRDEMGKMM-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722834 397871061 /nfs/dbraw/zinc/87/10/61/397871061.db2.gz CCBSCXVWLKYEIX-JONQDZQNSA-N 2 0 268.445 2.783 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763829 397888616 /nfs/dbraw/zinc/88/86/16/397888616.db2.gz KHRRXNTZJVRXFQ-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccs2)C1 ZINC000650722490 397871246 /nfs/dbraw/zinc/87/12/46/397871246.db2.gz VTJVXYHKAVXVTA-BPLDGKMQSA-N 2 0 280.437 2.609 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650764402 397888685 /nfs/dbraw/zinc/88/86/85/397888685.db2.gz XQDICUALJYWQSD-KRWDZBQOSA-N 2 0 258.409 2.523 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000650740395 397874906 /nfs/dbraw/zinc/87/49/06/397874906.db2.gz LXPMOQOYACTOIV-IAGOWNOFSA-N 2 0 283.504 2.865 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740960 397875155 /nfs/dbraw/zinc/87/51/55/397875155.db2.gz VCGMTQONEKRKEE-XJKSGUPXSA-N 2 0 276.399 2.964 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000650741038 397876105 /nfs/dbraw/zinc/87/61/05/397876105.db2.gz WOUHDRJUQPEXBV-IRXDYDNUSA-N 2 0 275.440 2.699 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000650742057 397876481 /nfs/dbraw/zinc/87/64/81/397876481.db2.gz QJKRMFTWZSYTBU-VQJWOFKYSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000650742058 397876678 /nfs/dbraw/zinc/87/66/78/397876678.db2.gz QJKRMFTWZSYTBU-XLWJZTARSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000650743096 397877529 /nfs/dbraw/zinc/87/75/29/397877529.db2.gz MAFPCSOXBBPPNN-JTQLQIEISA-N 2 0 254.324 2.744 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000650744088 397878252 /nfs/dbraw/zinc/87/82/52/397878252.db2.gz GAQFZSCHUVBKKV-CQSZACIVSA-N 2 0 290.407 2.628 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000650745420 397878944 /nfs/dbraw/zinc/87/89/44/397878944.db2.gz GNAAQMUYHDPYDZ-OAHLLOKOSA-N 2 0 262.372 2.922 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000650746399 397879519 /nfs/dbraw/zinc/87/95/19/397879519.db2.gz BJPZXWHYOKJHTH-OAHLLOKOSA-N 2 0 259.397 2.641 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000650746392 397879592 /nfs/dbraw/zinc/87/95/92/397879592.db2.gz BEVYXEOPWOYRND-GDBMZVCRSA-N 2 0 273.424 2.826 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1OC ZINC000650747396 397880007 /nfs/dbraw/zinc/88/00/07/397880007.db2.gz ZIEOBSGBTMDMKV-ZDUSSCGKSA-N 2 0 292.423 2.792 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650753407 397883696 /nfs/dbraw/zinc/88/36/96/397883696.db2.gz MTFFAGHVTDTDJN-CABCVRRESA-N 2 0 280.387 2.578 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@H]2CCCO[C@@H]21 ZINC000650754809 397883765 /nfs/dbraw/zinc/88/37/65/397883765.db2.gz RSZDHBQWKDTNIT-BMFZPTHFSA-N 2 0 292.398 2.578 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000660244907 413178729 /nfs/dbraw/zinc/17/87/29/413178729.db2.gz USAZWLNKSAHMOU-UHFFFAOYSA-N 2 0 292.471 2.754 20 0 CFADRP c1cc2c(cc[nH+]c2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000663396502 413181767 /nfs/dbraw/zinc/18/17/67/413181767.db2.gz CLNJKQXCMGRBAJ-RYUDHWBXSA-N 2 0 256.353 2.602 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422991084 296576207 /nfs/dbraw/zinc/57/62/07/296576207.db2.gz PESWRGWRRNFAGT-IDTSGUGQSA-N 2 0 270.420 2.550 20 0 CFADRP COC1([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)CCCC1 ZINC000421878407 292144863 /nfs/dbraw/zinc/14/48/63/292144863.db2.gz NGXNKKYTWKEPLH-NFOMZHRRSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000404395461 413201804 /nfs/dbraw/zinc/20/18/04/413201804.db2.gz OGCQSUGLQJTSIH-GDBMZVCRSA-N 2 0 262.397 2.515 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404410877 413201828 /nfs/dbraw/zinc/20/18/28/413201828.db2.gz XJKGSPXNHXJUNK-CJNGLKHVSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1cc(CO)cc(NCC[N@@H+](C)C2CCCCC2)n1 ZINC000663440860 413206289 /nfs/dbraw/zinc/20/62/89/413206289.db2.gz RPFXSSWBHSUMEK-UHFFFAOYSA-N 2 0 277.412 2.559 20 0 CFADRP Cc1ccc(OCCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422854503 292167282 /nfs/dbraw/zinc/16/72/82/292167282.db2.gz AWYCADUMMJODHC-UHFFFAOYSA-N 2 0 276.424 2.871 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000356100196 155162248 /nfs/dbraw/zinc/16/22/48/155162248.db2.gz ACWJKQSOYCOSFX-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP CCOC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000336815312 286009290 /nfs/dbraw/zinc/00/92/90/286009290.db2.gz HMVNHYSXJBRVGF-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422913156 286019857 /nfs/dbraw/zinc/01/98/57/286019857.db2.gz PBXSULPDZPAUHR-PGUXBMHVSA-N 2 0 282.815 2.614 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467466 413223579 /nfs/dbraw/zinc/22/35/79/413223579.db2.gz FYVGFQHEHFCZFP-WMZOPIPTSA-N 2 0 294.483 2.903 20 0 CFADRP c1nc2ccccn2c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786470 413224833 /nfs/dbraw/zinc/22/48/33/413224833.db2.gz SWULNQJMHBLSFG-INIZCTEOSA-N 2 0 298.434 2.546 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465789 413224850 /nfs/dbraw/zinc/22/48/50/413224850.db2.gz LMLKVJKVSVSXNW-BZUAXINKSA-N 2 0 250.430 2.887 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000090457482 286050245 /nfs/dbraw/zinc/05/02/45/286050245.db2.gz CSFAOSOKYZMRBU-JYJNAYRXSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000656787717 413228444 /nfs/dbraw/zinc/22/84/44/413228444.db2.gz SJTNOWAAUYQNTO-LSDHHAIUSA-N 2 0 258.409 2.741 20 0 CFADRP Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000656787716 413228469 /nfs/dbraw/zinc/22/84/69/413228469.db2.gz SJTNOWAAUYQNTO-HUUCEWRRSA-N 2 0 258.409 2.741 20 0 CFADRP COCC(C)(C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261584715 292198783 /nfs/dbraw/zinc/19/87/83/292198783.db2.gz SNXBFTJCKHTRKP-ZIAGYGMSSA-N 2 0 256.434 2.559 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786977 413229205 /nfs/dbraw/zinc/22/92/05/413229205.db2.gz YUVJATAPKCRGPY-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)c(-c2cnn(C)c2)c1 ZINC000656788650 413230135 /nfs/dbraw/zinc/23/01/35/413230135.db2.gz AIKYJMXHNUDPHG-UHFFFAOYSA-N 2 0 298.434 2.757 20 0 CFADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000656787381 413231800 /nfs/dbraw/zinc/23/18/00/413231800.db2.gz JUCHAAWQXMUCCT-HNNXBMFYSA-N 2 0 272.436 2.822 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)[C@@H](C)C1 ZINC000656791708 413236930 /nfs/dbraw/zinc/23/69/30/413236930.db2.gz LHGXHSWMRAIUOR-AFAVFJNCSA-N 2 0 273.424 2.576 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423442376 296625830 /nfs/dbraw/zinc/62/58/30/296625830.db2.gz PUSJDHNNVASLPW-GVDBMIGSSA-N 2 0 286.419 2.878 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000663498377 413242462 /nfs/dbraw/zinc/24/24/62/413242462.db2.gz BHZSFHSTLWHJQM-CYBMUJFWSA-N 2 0 292.452 2.612 20 0 CFADRP CO[C@]1(C)C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359196563 286166939 /nfs/dbraw/zinc/16/69/39/286166939.db2.gz UOGURQWNJSWYNL-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000446952305 286171705 /nfs/dbraw/zinc/17/17/05/286171705.db2.gz NAAZUJSRHCTHJM-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000166014471 286198324 /nfs/dbraw/zinc/19/83/24/286198324.db2.gz RMPYTMSGPVLXBZ-KKUMJFAQSA-N 2 0 270.461 2.758 20 0 CFADRP CCc1nnc(C[NH2+]CCCc2ccc(C)nc2)s1 ZINC000356520730 155291686 /nfs/dbraw/zinc/29/16/86/155291686.db2.gz JCOXDPIFFAZRKT-UHFFFAOYSA-N 2 0 276.409 2.526 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414968405 292247635 /nfs/dbraw/zinc/24/76/35/292247635.db2.gz FQCPIYDBKHGFPX-HZPDHXFCSA-N 2 0 280.456 2.561 20 0 CFADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCCC[C@@H]1C ZINC000660368433 413268093 /nfs/dbraw/zinc/26/80/93/413268093.db2.gz ROSVFRDNBOZNDL-ARFHVFGLSA-N 2 0 270.461 2.588 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000574100025 413274013 /nfs/dbraw/zinc/27/40/13/413274013.db2.gz LCASWRLXWKFBOW-HOTGVXAUSA-N 2 0 258.409 2.968 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261634196 292281804 /nfs/dbraw/zinc/28/18/04/292281804.db2.gz DMJLMDCLTFWCDE-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000356839610 155389468 /nfs/dbraw/zinc/38/94/68/155389468.db2.gz IZJDEDKRFLSIGZ-PWSUYJOCSA-N 2 0 286.341 2.719 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C12CCCC2 ZINC000085680934 286385293 /nfs/dbraw/zinc/38/52/93/286385293.db2.gz JKQCQLXYWIJURK-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCN(c4ccccc4)C3)ccc12 ZINC000656980592 413284204 /nfs/dbraw/zinc/28/42/04/413284204.db2.gz GPHJUTRNSUTXPZ-INIZCTEOSA-N 2 0 292.386 2.703 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1(CC)CC ZINC000423510725 286399282 /nfs/dbraw/zinc/39/92/82/286399282.db2.gz PRSPZSXUQGRJJN-APIJFGDWSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348034226 154292157 /nfs/dbraw/zinc/29/21/57/154292157.db2.gz BRQCZXLNSDYAPB-JQHSSLGASA-N 2 0 290.451 2.504 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348101785 154320034 /nfs/dbraw/zinc/32/00/34/154320034.db2.gz KZRYTGGMMKNAKR-IAGOWNOFSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C[C@H](C)O1 ZINC000348107766 154322386 /nfs/dbraw/zinc/32/23/86/154322386.db2.gz QYNILBJZRZVHNG-XUWVNRHRSA-N 2 0 282.472 2.900 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261648738 292307473 /nfs/dbraw/zinc/30/74/73/292307473.db2.gz QMXXWPWBEFBVGP-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348113575 154326469 /nfs/dbraw/zinc/32/64/69/154326469.db2.gz XMTGCWHNMRTCCK-ZWKOTPCHSA-N 2 0 288.435 2.905 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348143913 154339333 /nfs/dbraw/zinc/33/93/33/154339333.db2.gz ARTVPQUEWALSMN-IRXDYDNUSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)[C@H]1CCCC[C@H]1O ZINC000348177931 154350860 /nfs/dbraw/zinc/35/08/60/154350860.db2.gz YWSSWLZMLCDRDN-JKSUJKDBSA-N 2 0 262.397 2.558 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CCCOC3)CC2)C1 ZINC000348202648 154361006 /nfs/dbraw/zinc/36/10/06/154361006.db2.gz ASPPITZWLLZVCC-QAPCUYQASA-N 2 0 292.467 2.966 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348227420 154370209 /nfs/dbraw/zinc/37/02/09/154370209.db2.gz DJINPUWSLZJZEX-CUSZFKRNSA-N 2 0 290.451 2.646 20 0 CFADRP CC[NH+](CC)CCN(CC[C@H]1CCC[N@@H+]1C)CC(C)C ZINC000348275734 154391213 /nfs/dbraw/zinc/39/12/13/154391213.db2.gz XTOLIUOGNWSDPF-QGZVFWFLSA-N 2 0 283.504 2.771 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000123028900 292308241 /nfs/dbraw/zinc/30/82/41/292308241.db2.gz OMJXIHJUSZPKGC-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)OC1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000352558778 154612276 /nfs/dbraw/zinc/61/22/76/154612276.db2.gz ZGRQEGJWDGEFGY-UHFFFAOYSA-N 2 0 280.456 2.939 20 0 CFADRP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)C(C)(C)C[NH+](C)C ZINC000663661989 413304484 /nfs/dbraw/zinc/30/44/84/413304484.db2.gz RNAIJDUFZASFDR-LLVKDONJSA-N 2 0 260.385 2.951 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000227495545 286490342 /nfs/dbraw/zinc/49/03/42/286490342.db2.gz FVYOUSBRYGCDKP-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)[C@H](CNc1cc[nH+]c(C)c1)CC(C)C ZINC000358142499 155644496 /nfs/dbraw/zinc/64/44/96/155644496.db2.gz ZPCZHUXRPCKWDM-INIZCTEOSA-N 2 0 263.429 2.980 20 0 CFADRP CCC1(CC)C[NH+](C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000651136674 413314613 /nfs/dbraw/zinc/31/46/13/413314613.db2.gz ALUUXROHNHUUSJ-QGZVFWFLSA-N 2 0 290.451 2.601 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)C(F)(F)F ZINC000359138503 156001212 /nfs/dbraw/zinc/00/12/12/156001212.db2.gz VLNJRPAMBWLAJW-JTQLQIEISA-N 2 0 298.312 2.864 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359184883 156017093 /nfs/dbraw/zinc/01/70/93/156017093.db2.gz DMMSCEHIRHIQBV-QGZVFWFLSA-N 2 0 288.435 2.874 20 0 CFADRP c1cc([C@H]2CN(CCC3CC[NH2+]CC3)CCO2)cs1 ZINC000359191013 156019349 /nfs/dbraw/zinc/01/93/49/156019349.db2.gz NWXIRKPHJALFQV-OAHLLOKOSA-N 2 0 280.437 2.511 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362913557 156113540 /nfs/dbraw/zinc/11/35/40/156113540.db2.gz NZWALRUHJHUDHL-INIZCTEOSA-N 2 0 293.499 2.572 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362924209 156117130 /nfs/dbraw/zinc/11/71/30/156117130.db2.gz OCFAZDIZYZQNRP-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000363977846 156211279 /nfs/dbraw/zinc/21/12/79/156211279.db2.gz WEGMYKMAKVVBJJ-ARFHVFGLSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]3CCCCC[C@@H]32)CC1 ZINC000367050748 156272597 /nfs/dbraw/zinc/27/25/97/156272597.db2.gz SBHGKWJUSHJUPM-MSOLQXFVSA-N 2 0 293.499 2.667 20 0 CFADRP Cn1ccnc1[C@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000367132491 156285270 /nfs/dbraw/zinc/28/52/70/156285270.db2.gz CEBIZWACBYMKSP-DLBZAZTESA-N 2 0 299.418 2.723 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]CC3(C)COC3)CC2)CC1 ZINC000367216172 156298855 /nfs/dbraw/zinc/29/88/55/156298855.db2.gz ATYVJEBCTOFUGK-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000423375845 286540614 /nfs/dbraw/zinc/54/06/14/286540614.db2.gz YAJDPGCLSATSOD-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000367356167 156318628 /nfs/dbraw/zinc/31/86/28/156318628.db2.gz KGAIBLYBCRQSNG-UHFFFAOYSA-N 2 0 273.424 2.649 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@@H]2CCC[C@H]21 ZINC000367598072 156357925 /nfs/dbraw/zinc/35/79/25/156357925.db2.gz UVXHKKLBHNTYNO-MELADBBJSA-N 2 0 279.815 2.697 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367603028 156360196 /nfs/dbraw/zinc/36/01/96/156360196.db2.gz XSOJIPZKRRMVAD-KURKYZTESA-N 2 0 288.435 2.700 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000164515079 286539413 /nfs/dbraw/zinc/53/94/13/286539413.db2.gz SHUFLWPYAHWVHV-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CCC2)CC[N@@H+]1C ZINC000367711473 156380359 /nfs/dbraw/zinc/38/03/59/156380359.db2.gz CRGWESULKFOWRI-CABCVRRESA-N 2 0 273.424 2.576 20 0 CFADRP C(C[NH+]1CCCCC1)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371198224 156744062 /nfs/dbraw/zinc/74/40/62/156744062.db2.gz LSZSWBQORWFVEI-GOSISDBHSA-N 2 0 293.499 2.670 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256849 304858120 /nfs/dbraw/zinc/85/81/20/304858120.db2.gz GHWHNXQOJHDIIQ-WMLDXEAASA-N 2 0 273.424 2.913 20 0 CFADRP c1ccc(C2=CC[NH2+]CC2)c(C[C@H]2CCCC[NH2+]2)c1 ZINC000653510196 413340480 /nfs/dbraw/zinc/34/04/80/413340480.db2.gz QIJWJQNLYJMFIM-MRXNPFEDSA-N 2 0 256.393 2.748 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1cncs1)CC2)C1CC1 ZINC000374284209 157092462 /nfs/dbraw/zinc/09/24/62/157092462.db2.gz RWPAIRWYGJKSOQ-CYBMUJFWSA-N 2 0 291.464 2.839 20 0 CFADRP CC(C)OCCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374294052 157094487 /nfs/dbraw/zinc/09/44/87/157094487.db2.gz JDVYNJSYJWGTGE-INIZCTEOSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)OCCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374294053 157094993 /nfs/dbraw/zinc/09/49/93/157094993.db2.gz JDVYNJSYJWGTGE-MRXNPFEDSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000375840138 157293235 /nfs/dbraw/zinc/29/32/35/157293235.db2.gz OOIIXMQDLSVKKG-COXVUDFISA-N 2 0 294.389 2.970 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376515212 157365242 /nfs/dbraw/zinc/36/52/42/157365242.db2.gz ONWRAQXGGXYHQJ-ZAWLATJESA-N 2 0 282.431 2.742 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000261544701 286696128 /nfs/dbraw/zinc/69/61/28/286696128.db2.gz ZCIOBACGHGWGRA-FQUUOJAGSA-N 2 0 256.459 2.768 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)CO1 ZINC000657284265 413394848 /nfs/dbraw/zinc/39/48/48/413394848.db2.gz MMEZZYZJGNVCPR-RBSFLKMASA-N 2 0 256.434 2.654 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CO1 ZINC000657297023 413414761 /nfs/dbraw/zinc/41/47/61/413414761.db2.gz ZIEXSNBTOOKIFH-IRXDYDNUSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000423007864 298391702 /nfs/dbraw/zinc/39/17/02/298391702.db2.gz YVWYGKCNCBRJEM-IPYPFGDCSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422972831 298391899 /nfs/dbraw/zinc/39/18/99/298391899.db2.gz AMJYDUSUFMJZHI-ZBFHGGJFSA-N 2 0 264.413 2.607 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423023896 298399997 /nfs/dbraw/zinc/39/99/97/298399997.db2.gz KSGCJHBWZHGFAR-ABAIWWIYSA-N 2 0 250.361 2.920 20 0 CFADRP Cc1ccccc1C[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000261875628 161542501 /nfs/dbraw/zinc/54/25/01/161542501.db2.gz VSGLLKIYEBGXCP-HNNXBMFYSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663903969 413431247 /nfs/dbraw/zinc/43/12/47/413431247.db2.gz AXBLESKLGGOXSS-CHWSQXEVSA-N 2 0 270.380 2.626 20 0 CFADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000340475696 161597719 /nfs/dbraw/zinc/59/77/19/161597719.db2.gz NBKONRLDQYXLML-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CO1 ZINC000657311327 413432292 /nfs/dbraw/zinc/43/22/92/413432292.db2.gz JTUSYPXUYYIIAU-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000657314166 413432420 /nfs/dbraw/zinc/43/24/20/413432420.db2.gz WURMJZWZOLOFFE-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1[nH+]c2ccccc2c(NCC[NH+]2CCCC2)c1C ZINC000343512826 161790133 /nfs/dbraw/zinc/79/01/33/161790133.db2.gz ONNIDQPDZHWKQD-UHFFFAOYSA-N 2 0 269.392 2.781 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000344395902 162036028 /nfs/dbraw/zinc/03/60/28/162036028.db2.gz WPIGDNSIOZQJAG-HLLBOEOZSA-N 2 0 289.467 2.656 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)CC[N@@H+]1C ZINC000344623007 162083513 /nfs/dbraw/zinc/08/35/13/162083513.db2.gz HFWRZMJJSYDZHH-DNKIIHMASA-N 2 0 262.372 2.911 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000345146017 162188288 /nfs/dbraw/zinc/18/82/88/162188288.db2.gz TZHFPOAPYTWDJI-IAGOWNOFSA-N 2 0 256.393 2.642 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000345154242 162190774 /nfs/dbraw/zinc/19/07/74/162190774.db2.gz IAXCTMHDADZXMH-YVSFHVDLSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCC1 ZINC000346158872 162335824 /nfs/dbraw/zinc/33/58/24/162335824.db2.gz ASTFNFLNNXNHGO-UHFFFAOYSA-N 2 0 270.380 2.950 20 0 CFADRP CC(C)CN(C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346198840 162350074 /nfs/dbraw/zinc/35/00/74/162350074.db2.gz FNHWDCXTZSQZFS-UHFFFAOYSA-N 2 0 281.469 2.997 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1F ZINC000346326244 162383937 /nfs/dbraw/zinc/38/39/37/162383937.db2.gz KFSNIEXLIGRDBB-QWHCGFSZSA-N 2 0 298.352 2.863 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000346991499 162575862 /nfs/dbraw/zinc/57/58/62/162575862.db2.gz XFAXKMNYJBACLB-ZIAGYGMSSA-N 2 0 299.503 2.636 20 0 CFADRP CN(C)c1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347059432 162591883 /nfs/dbraw/zinc/59/18/83/162591883.db2.gz WZQJGJNSSWHYIS-KRWDZBQOSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1cnc2n1CCC2 ZINC000657324123 413447453 /nfs/dbraw/zinc/44/74/53/413447453.db2.gz UGXOXYUNWDTMTG-NSHDSACASA-N 2 0 261.394 2.612 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000347120123 162606466 /nfs/dbraw/zinc/60/64/66/162606466.db2.gz VLDHVJKAPUEDGK-LLVKDONJSA-N 2 0 290.436 2.697 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000347119126 162606937 /nfs/dbraw/zinc/60/69/37/162606937.db2.gz YJNFURRILMKNFK-NSHDSACASA-N 2 0 284.350 2.847 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000349683772 163002975 /nfs/dbraw/zinc/00/29/75/163002975.db2.gz IMQXPGNVCFXQNQ-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)C1CCCC1 ZINC000349716694 163007192 /nfs/dbraw/zinc/00/71/92/163007192.db2.gz ADVSIAIWHBKABF-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(C)C)CC1 ZINC000349833244 163022376 /nfs/dbraw/zinc/02/23/76/163022376.db2.gz RWLQMXFOYWILHI-UHFFFAOYSA-N 2 0 289.467 2.916 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CCOCC1 ZINC000349932457 163038566 /nfs/dbraw/zinc/03/85/66/163038566.db2.gz JACVGWINGKJJHT-XIRDDKMYSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000350019478 163051232 /nfs/dbraw/zinc/05/12/32/163051232.db2.gz VNTPPDIGGLYSDC-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP CN(C)c1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350144706 163062271 /nfs/dbraw/zinc/06/22/71/163062271.db2.gz FKCPOIFUKYDDPQ-UHFFFAOYSA-N 2 0 275.440 2.526 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000350147315 163062645 /nfs/dbraw/zinc/06/26/45/163062645.db2.gz PIBRQBOZQYUUIZ-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000350148366 163063736 /nfs/dbraw/zinc/06/37/36/163063736.db2.gz RCAPYHZXSCHKPG-UHFFFAOYSA-N 2 0 290.455 2.729 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000350183275 163065718 /nfs/dbraw/zinc/06/57/18/163065718.db2.gz FSKVPMIBDXWSNN-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423297157 298529577 /nfs/dbraw/zinc/52/95/77/298529577.db2.gz IZLOBRIJGKMUCS-CXAGYDPISA-N 2 0 288.435 2.964 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1SC ZINC000351493088 163133544 /nfs/dbraw/zinc/13/35/44/163133544.db2.gz LTLRVDCNPNTQKF-MJBXVCDLSA-N 2 0 292.448 2.586 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(F)cc1 ZINC000351546788 163143193 /nfs/dbraw/zinc/14/31/93/163143193.db2.gz ZZUBHVPMOGKUQA-SJORKVTESA-N 2 0 294.414 2.568 20 0 CFADRP CC(C)COC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351649415 163165485 /nfs/dbraw/zinc/16/54/85/163165485.db2.gz VAQNSYZJYGOQJG-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP FCCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000351730164 163183287 /nfs/dbraw/zinc/18/32/87/163183287.db2.gz LQXCKVIKNUANSX-UHFFFAOYSA-N 2 0 286.435 2.561 20 0 CFADRP CCc1nocc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351810945 163196488 /nfs/dbraw/zinc/19/64/88/163196488.db2.gz OICBEPOBDLLLKU-DYVFJYSZSA-N 2 0 289.423 2.686 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000351849084 163204298 /nfs/dbraw/zinc/20/42/98/163204298.db2.gz FJKAFYAAPLJYQU-TZMCWYRMSA-N 2 0 266.816 2.942 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](CC(C)C)C(=O)OC)CC1 ZINC000351858305 163205988 /nfs/dbraw/zinc/20/59/88/163205988.db2.gz VOJZCNBGOLXMQZ-INIZCTEOSA-N 2 0 298.471 2.628 20 0 CFADRP CSc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000352848518 163252121 /nfs/dbraw/zinc/25/21/21/163252121.db2.gz WDLJJCHCLJVYPW-UHFFFAOYSA-N 2 0 268.451 2.822 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2CCCC2)C[C@H]1C ZINC000352856213 163254024 /nfs/dbraw/zinc/25/40/24/163254024.db2.gz CNINNICPEXUFNM-HYVNUMGLSA-N 2 0 282.472 2.732 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000352929156 163271369 /nfs/dbraw/zinc/27/13/69/163271369.db2.gz BRDYTKUSDFBMDM-JQHSSLGASA-N 2 0 293.499 2.594 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C)on2)CC1 ZINC000353430923 163362414 /nfs/dbraw/zinc/36/24/14/163362414.db2.gz XFDVBRFQKYXPOV-ZDUSSCGKSA-N 2 0 265.401 2.756 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000353431175 163363075 /nfs/dbraw/zinc/36/30/75/163363075.db2.gz LEVAJZULUDFVPY-JYJNAYRXSA-N 2 0 297.487 2.532 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000353443643 163365736 /nfs/dbraw/zinc/36/57/36/163365736.db2.gz AABHQTNUSKBXKZ-UHFFFAOYSA-N 2 0 275.440 2.596 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnccc2C)CC1 ZINC000353445072 163367614 /nfs/dbraw/zinc/36/76/14/163367614.db2.gz GDBATYDSHMSMIE-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353499540 163377887 /nfs/dbraw/zinc/37/78/87/163377887.db2.gz VEVXXIHRDMDCLK-KURKYZTESA-N 3 0 293.499 2.571 20 0 CFADRP OC1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000353517581 163382932 /nfs/dbraw/zinc/38/29/32/163382932.db2.gz JBZBVMVEDGWFSV-UHFFFAOYSA-N 2 0 268.445 2.536 20 0 CFADRP Cc1ccn2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)nc2c1 ZINC000353514448 163383252 /nfs/dbraw/zinc/38/32/52/163383252.db2.gz GWCALZUTIXHXEX-BRWVUGGUSA-N 2 0 298.434 2.605 20 0 CFADRP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422834005 287013411 /nfs/dbraw/zinc/01/34/11/287013411.db2.gz HHXICIYRAALACF-RHSMWYFYSA-N 2 0 279.472 2.514 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CO1 ZINC000657335255 413463990 /nfs/dbraw/zinc/46/39/90/413463990.db2.gz AWSUNKKEXSXKMN-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1CCOCC1 ZINC000423530646 287018345 /nfs/dbraw/zinc/01/83/45/287018345.db2.gz ROXNXOJMDFXKPP-HKUAFEEUSA-N 2 0 292.467 2.545 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnccn1 ZINC000247156838 287022444 /nfs/dbraw/zinc/02/24/44/287022444.db2.gz TZDDXWHQRVOIEG-HUUCEWRRSA-N 2 0 276.428 2.782 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000247096601 287022559 /nfs/dbraw/zinc/02/25/59/287022559.db2.gz PTCGRTCFPSPGEO-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1(C)CC1 ZINC000247008218 287022915 /nfs/dbraw/zinc/02/29/15/287022915.db2.gz MBMKIAQCCUMGKW-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660651572 413468109 /nfs/dbraw/zinc/46/81/09/413468109.db2.gz AZYNDYKZPHALSG-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422964507 287032525 /nfs/dbraw/zinc/03/25/25/287032525.db2.gz LYUUMNPZZUNMGP-PMPSAXMXSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422727911 287037343 /nfs/dbraw/zinc/03/73/43/287037343.db2.gz DSEWVWKQQMAKSP-RBSFLKMASA-N 2 0 293.480 2.615 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CCC(F)(F)CC1 ZINC000423387046 287059962 /nfs/dbraw/zinc/05/99/62/287059962.db2.gz SHVRNCDPNOBXRE-NQBHXWOUSA-N 2 0 260.372 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422911353 287064830 /nfs/dbraw/zinc/06/48/30/287064830.db2.gz KMTAILVLEASVEF-KBRIMQKVSA-N 2 0 258.409 2.738 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423406364 287107907 /nfs/dbraw/zinc/10/79/07/287107907.db2.gz KNODRFMOZTUONY-ARFHVFGLSA-N 2 0 282.472 2.807 20 0 CFADRP C[C@@H](c1cccnc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000372562757 287154353 /nfs/dbraw/zinc/15/43/53/287154353.db2.gz FVHMOQOCOZDIAZ-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC000660658161 413473496 /nfs/dbraw/zinc/47/34/96/413473496.db2.gz DBRBJEWLHIHXHJ-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1ccccc1C(C)(C)[NH3+] ZINC001168769723 782018306 /nfs/dbraw/zinc/01/83/06/782018306.db2.gz XNIRNYNZAXIEDP-UHFFFAOYSA-N 2 0 263.429 2.880 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000284341546 196034470 /nfs/dbraw/zinc/03/44/70/196034470.db2.gz MTUDZYDKGXYFKS-IAGOWNOFSA-N 2 0 288.435 2.531 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000020128437 171015210 /nfs/dbraw/zinc/01/52/10/171015210.db2.gz NDNURXKOGQFWMJ-QGZVFWFLSA-N 2 0 293.430 2.504 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000660661102 413476032 /nfs/dbraw/zinc/47/60/32/413476032.db2.gz BRRQDOHSPDFAJI-KZNAEPCWSA-N 2 0 270.420 2.960 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000660662419 413476087 /nfs/dbraw/zinc/47/60/87/413476087.db2.gz KBMLFLKUUCUCCK-YYIAUSFCSA-N 2 0 262.441 2.840 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1F)C2 ZINC000660659435 413479202 /nfs/dbraw/zinc/47/92/02/413479202.db2.gz PLFDKNKOVBVLNP-INIZCTEOSA-N 2 0 280.362 2.883 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCc1cccc(F)c1F)C2 ZINC000660664148 413483799 /nfs/dbraw/zinc/48/37/99/413483799.db2.gz QFPOZLCZHDCIHT-QGZVFWFLSA-N 2 0 294.389 2.925 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000657377317 413519858 /nfs/dbraw/zinc/51/98/58/413519858.db2.gz BZYAJXSIJIUEIX-SWLSCSKDSA-N 2 0 282.453 2.714 20 0 CFADRP Cc1cc(C(F)(F)F)cc(NCC2([NH+](C)C)CC2)n1 ZINC000664020156 413521544 /nfs/dbraw/zinc/52/15/44/413521544.db2.gz BATJFDMIFKXITH-UHFFFAOYSA-N 2 0 273.302 2.915 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000657387582 413540715 /nfs/dbraw/zinc/54/07/15/413540715.db2.gz XINBDONUXBTBME-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCCO1 ZINC000653874808 413551606 /nfs/dbraw/zinc/55/16/06/413551606.db2.gz LDOJWKGNVCQOPA-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674354 413561201 /nfs/dbraw/zinc/56/12/01/413561201.db2.gz LSNOTGRWYCVUBF-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651676545 413561245 /nfs/dbraw/zinc/56/12/45/413561245.db2.gz DMOSDLUCSYKMHV-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651674942 413561972 /nfs/dbraw/zinc/56/19/72/413561972.db2.gz GBRXBZNFIMKTNN-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000660778635 413559205 /nfs/dbraw/zinc/55/92/05/413559205.db2.gz GBJUNVDORYJKEJ-DGADGQDISA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651709090 413582868 /nfs/dbraw/zinc/58/28/68/413582868.db2.gz KHIJVGMZLVQKLB-SOLBZPMBSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCSCC1 ZINC000035120909 287268353 /nfs/dbraw/zinc/26/83/53/287268353.db2.gz NBJSYUPUMOCZHF-CYBMUJFWSA-N 2 0 256.459 2.736 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](COC)CC(C)(C)C)[C@@H](C)C1 ZINC000651721746 413590807 /nfs/dbraw/zinc/59/08/07/413590807.db2.gz PEHIMYFLNPILTO-KKUMJFAQSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000660825114 413595929 /nfs/dbraw/zinc/59/59/29/413595929.db2.gz SQHLZFWZSFXAJC-JYJNAYRXSA-N 2 0 284.488 2.834 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000651732107 413599964 /nfs/dbraw/zinc/59/99/64/413599964.db2.gz JIECEHPMFGIALD-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)C[C@](C)(O)CNCc1cccc(C2CCCC2)c1 ZINC000657415588 413572641 /nfs/dbraw/zinc/57/26/41/413572641.db2.gz LSRURCSNBMHYQY-GOSISDBHSA-N 2 0 290.451 2.746 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](COC)CC(C)(C)C)C1 ZINC000651692468 413573962 /nfs/dbraw/zinc/57/39/62/413573962.db2.gz GQAXULKMGDFARW-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]C[C@H](C)C[NH+](C)C)cc21 ZINC000657471648 413651606 /nfs/dbraw/zinc/65/16/06/413651606.db2.gz BSRUJTOUJQJJCW-LBPRGKRZSA-N 2 0 259.397 2.764 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCF)CC1 ZINC000285409639 196276447 /nfs/dbraw/zinc/27/64/47/196276447.db2.gz XPUFIXQKFCHUMM-UHFFFAOYSA-N 2 0 264.388 2.989 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000651753595 413614436 /nfs/dbraw/zinc/61/44/36/413614436.db2.gz YBCCWTDKSYMZEQ-BZUAXINKSA-N 2 0 270.461 2.902 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000657493378 413680924 /nfs/dbraw/zinc/68/09/24/413680924.db2.gz CPOPIPAVFMEQJJ-UHFFFAOYSA-N 2 0 290.455 2.650 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000657492199 413681706 /nfs/dbraw/zinc/68/17/06/413681706.db2.gz UJEJBJIVXFIJET-AWEZNQCLSA-N 2 0 290.455 2.509 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657505428 413696981 /nfs/dbraw/zinc/69/69/81/413696981.db2.gz YWDXAOHPXGJNOA-BJHJDKERSA-N 2 0 275.421 2.726 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000657523388 413702420 /nfs/dbraw/zinc/70/24/20/413702420.db2.gz HNRXVLSUOZKOAG-CQSZACIVSA-N 2 0 250.361 2.788 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000657525232 413704853 /nfs/dbraw/zinc/70/48/53/413704853.db2.gz VSAWBFKYVPOSMT-KRWDZBQOSA-N 2 0 298.434 2.835 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657534728 413716894 /nfs/dbraw/zinc/71/68/94/413716894.db2.gz CVDZLSLCEDZVRL-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000657612701 413791322 /nfs/dbraw/zinc/79/13/22/413791322.db2.gz CUBAQZLIWOLFHS-UHFFFAOYSA-N 2 0 273.424 2.683 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000657613645 413792703 /nfs/dbraw/zinc/79/27/03/413792703.db2.gz OXAKIOWAOCRIJD-AWEZNQCLSA-N 2 0 273.424 2.682 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657574173 413764073 /nfs/dbraw/zinc/76/40/73/413764073.db2.gz FMTQLELDIVYVKK-GJZGRUSLSA-N 2 0 282.472 2.780 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000661230984 413834498 /nfs/dbraw/zinc/83/44/98/413834498.db2.gz GPGOQHJOYHFRDE-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC1CC1 ZINC000657714207 413887003 /nfs/dbraw/zinc/88/70/03/413887003.db2.gz HPJZNJJPLYDRDM-INIZCTEOSA-N 2 0 294.483 2.782 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285568082 196329589 /nfs/dbraw/zinc/32/95/89/196329589.db2.gz VXEGLUITKNIQQW-AWEZNQCLSA-N 2 0 258.365 2.864 20 0 CFADRP c1cc2nccc(NC[C@H]3CCC[N@H+](CC4CC4)C3)c2cn1 ZINC000664679577 413898003 /nfs/dbraw/zinc/89/80/03/413898003.db2.gz UJXXMJYPTWIEQP-OAHLLOKOSA-N 2 0 296.418 2.586 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCCC(F)(F)F)C2 ZINC000652352794 413899950 /nfs/dbraw/zinc/89/99/50/413899950.db2.gz XSGCRGBZDDRKDZ-RYUDHWBXSA-N 2 0 264.335 2.780 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346216 413900795 /nfs/dbraw/zinc/90/07/95/413900795.db2.gz WPIWQFMXFRIZOZ-UBDQQSCGSA-N 2 0 288.435 2.966 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)n1 ZINC000652356054 413907910 /nfs/dbraw/zinc/90/79/10/413907910.db2.gz RCJLTMZJLWVPMS-LRDDRELGSA-N 2 0 261.413 2.648 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657869831 414016744 /nfs/dbraw/zinc/01/67/44/414016744.db2.gz AGPCHJXVTXBPLK-NSHDSACASA-N 2 0 262.388 2.988 20 0 CFADRP Oc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657811479 413957419 /nfs/dbraw/zinc/95/74/19/413957419.db2.gz CZYAPGTYMCKHRG-UHFFFAOYSA-N 2 0 274.408 2.604 20 0 CFADRP Cc1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cs1 ZINC000657811363 413957723 /nfs/dbraw/zinc/95/77/23/413957723.db2.gz AEJGSOIRFGOSDW-UHFFFAOYSA-N 2 0 279.453 2.663 20 0 CFADRP Cc1cnccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657814467 413959994 /nfs/dbraw/zinc/95/99/94/413959994.db2.gz IYGMWIAJSOHYKE-UHFFFAOYSA-N 2 0 273.424 2.602 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(OCC)CC2)CC1 ZINC000657823860 413973104 /nfs/dbraw/zinc/97/31/04/413973104.db2.gz PRHRQULDYCSPGT-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1COC2(CCC2)C1)Cc1ccccc1 ZINC000657823658 413973632 /nfs/dbraw/zinc/97/36/32/413973632.db2.gz JNGXZOSLXPMCEJ-QGZVFWFLSA-N 2 0 288.435 2.810 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657836787 413986732 /nfs/dbraw/zinc/98/67/32/413986732.db2.gz BMNGDDINXQDLDI-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C(F)F ZINC000657840883 413991676 /nfs/dbraw/zinc/99/16/76/413991676.db2.gz XODIQTFSRMZXBA-TUAOUCFPSA-N 2 0 260.372 2.883 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657838294 413992551 /nfs/dbraw/zinc/99/25/51/413992551.db2.gz QKJDMEPHLRYNKE-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]CCc1cccs1)C1CC[NH+](C)CC1 ZINC000037210067 173031490 /nfs/dbraw/zinc/03/14/90/173031490.db2.gz ZRKCILHHOUBUGP-GFCCVEGCSA-N 2 0 252.427 2.611 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000661672848 414124695 /nfs/dbraw/zinc/12/46/95/414124695.db2.gz QJQUFMLQSHKQLO-OAHLLOKOSA-N 2 0 270.461 2.590 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000658038829 414127791 /nfs/dbraw/zinc/12/77/91/414127791.db2.gz TZUPEYAAFHBVHP-HSBZDZAISA-N 2 0 256.459 2.735 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccn2)[C@@H](C)C1 ZINC000658062678 414143269 /nfs/dbraw/zinc/14/32/69/414143269.db2.gz PHNFFGVYZIFOMO-DZKIICNBSA-N 2 0 261.413 2.505 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658064550 414148827 /nfs/dbraw/zinc/14/88/27/414148827.db2.gz POKGRVYREZYATA-CQSZACIVSA-N 2 0 273.424 2.649 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000658064629 414150693 /nfs/dbraw/zinc/15/06/93/414150693.db2.gz FBRVXKLNHXLDHT-JLJPHGGASA-N 2 0 299.418 2.833 20 0 CFADRP FCC1(CF)CC([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000658034218 414119977 /nfs/dbraw/zinc/11/99/77/414119977.db2.gz DVMNVMKHTFTWCI-UHFFFAOYSA-N 2 0 265.307 2.512 20 0 CFADRP COCc1csc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000665263930 414222074 /nfs/dbraw/zinc/22/20/74/414222074.db2.gz YHTQDPQYRICBPW-JSGCOSHPSA-N 2 0 268.426 2.502 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)O1 ZINC000665265323 414222256 /nfs/dbraw/zinc/22/22/56/414222256.db2.gz VIAMVESWSUBJHP-UHDSXZAQSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665268863 414227337 /nfs/dbraw/zinc/22/73/37/414227337.db2.gz WZQPBQRYLQDORU-HLLBOEOZSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000665267459 414227749 /nfs/dbraw/zinc/22/77/49/414227749.db2.gz XAEHMORPPRRMKH-CABCVRRESA-N 2 0 267.461 2.501 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000665274879 414229560 /nfs/dbraw/zinc/22/95/60/414229560.db2.gz ZVWZUOSWOURWPG-HTXFPXQUSA-N 2 0 284.394 2.932 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000665274478 414230818 /nfs/dbraw/zinc/23/08/18/414230818.db2.gz QVXRWQLJWDXARG-CQLXCSJHSA-N 2 0 258.356 2.814 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658143445 414234235 /nfs/dbraw/zinc/23/42/35/414234235.db2.gz YGOXVXGDFPDDIR-KBXCAEBGSA-N 2 0 288.435 2.531 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000665275085 414234242 /nfs/dbraw/zinc/23/42/42/414234242.db2.gz BRXBBWDTDLSCDV-QBPKDAKJSA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275603 414235106 /nfs/dbraw/zinc/23/51/06/414235106.db2.gz NQWJRJPQFZNRAY-DGCLKSJQSA-N 2 0 275.421 2.556 20 0 CFADRP C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc2ccccc2n1 ZINC000665277464 414238028 /nfs/dbraw/zinc/23/80/28/414238028.db2.gz BZWKISIMSSCLKS-SFYCDEOASA-N 2 0 267.376 2.637 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237515 414196879 /nfs/dbraw/zinc/19/68/79/414196879.db2.gz CESVQSWHKNUZBW-DRZSPHRISA-N 2 0 294.361 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)C1 ZINC000665238906 414196894 /nfs/dbraw/zinc/19/68/94/414196894.db2.gz HIQGICQINRARMH-NQBHXWOUSA-N 2 0 294.361 2.736 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665238711 414197421 /nfs/dbraw/zinc/19/74/21/414197421.db2.gz AZNWFXXIDZMRIM-OKZBNKHCSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)C1 ZINC000665239015 414197521 /nfs/dbraw/zinc/19/75/21/414197521.db2.gz KFDCEKUAGFGUEN-LPQFYEMYSA-N 2 0 250.430 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](OC2CCCC2)C(F)(F)F)C1 ZINC000665238907 414197580 /nfs/dbraw/zinc/19/75/80/414197580.db2.gz HIQGICQINRARMH-NTZNESFSSA-N 2 0 294.361 2.736 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2o1 ZINC000665237507 414198482 /nfs/dbraw/zinc/19/84/82/414198482.db2.gz CCAZWIVHTAIPAV-OWCLPIDISA-N 2 0 270.376 2.911 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCCC1 ZINC000665246262 414204313 /nfs/dbraw/zinc/20/43/13/414204313.db2.gz AJTKMOIATBPQBV-GOEBONIOSA-N 2 0 273.424 2.969 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)oc1C ZINC000658108109 414205892 /nfs/dbraw/zinc/20/58/92/414205892.db2.gz PJVYNJGBALAMQC-GJZGRUSLSA-N 2 0 295.471 2.819 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000658108325 414207532 /nfs/dbraw/zinc/20/75/32/414207532.db2.gz MWTZSJKQKROMDJ-GJZGRUSLSA-N 2 0 295.446 2.748 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000665245260 414207440 /nfs/dbraw/zinc/20/74/40/414207440.db2.gz CTCMOAFXFQDUSO-RCCFBDPRSA-N 2 0 272.436 2.824 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(-n2cccn2)cc1 ZINC000665248822 414209036 /nfs/dbraw/zinc/20/90/36/414209036.db2.gz DANXDYQWVQHHKF-AWEZNQCLSA-N 2 0 284.407 2.794 20 0 CFADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000658109725 414211098 /nfs/dbraw/zinc/21/10/98/414211098.db2.gz VNXRQNBEGNKDEI-IRXDYDNUSA-N 2 0 291.483 2.918 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)COc1c(F)cccc1F ZINC000665262133 414218410 /nfs/dbraw/zinc/21/84/10/414218410.db2.gz UWNPABMIAOZRLG-RYUDHWBXSA-N 2 0 286.366 2.839 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279821 414244325 /nfs/dbraw/zinc/24/43/25/414244325.db2.gz NAJWAKMACGCFRI-GARNVTTQSA-N 2 0 285.435 2.758 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1(CO)CC1 ZINC000658161446 414245377 /nfs/dbraw/zinc/24/53/77/414245377.db2.gz SZZQJMVUUHGPKR-HLLBOEOZSA-N 2 0 294.483 2.780 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1ccco1 ZINC000665282821 414247132 /nfs/dbraw/zinc/24/71/32/414247132.db2.gz CJHZVOTUOCAPCP-LBPRGKRZSA-N 2 0 273.380 2.725 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(C)cccc21 ZINC000665283440 414248681 /nfs/dbraw/zinc/24/86/81/414248681.db2.gz NXZCXEYPXVOOQP-WMLDXEAASA-N 2 0 276.424 2.716 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000665283276 414249053 /nfs/dbraw/zinc/24/90/53/414249053.db2.gz KNVSZNMYTPLWIF-ARFHVFGLSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1(CO)CC1 ZINC000658162353 414251536 /nfs/dbraw/zinc/25/15/36/414251536.db2.gz WOQCCAAGQODNJZ-VYDXJSESSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283694 414251981 /nfs/dbraw/zinc/25/19/81/414251981.db2.gz SFOKUAYTXTUZDU-MLUKBADYSA-N 2 0 280.456 2.687 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000665294008 414263256 /nfs/dbraw/zinc/26/32/56/414263256.db2.gz GRFLKSOGWWJPFF-ZFWWWQNUSA-N 2 0 262.397 2.611 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170939 414264037 /nfs/dbraw/zinc/26/40/37/414264037.db2.gz UTSGVWLCOJQNLL-YQQAZPJKSA-N 2 0 276.424 2.522 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1C ZINC000665294342 414264124 /nfs/dbraw/zinc/26/41/24/414264124.db2.gz MTWXNPLJOVBFSC-GFCCVEGCSA-N 2 0 250.386 2.611 20 0 CFADRP CNC[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000665298517 414271853 /nfs/dbraw/zinc/27/18/53/414271853.db2.gz XHNFHBRKLKLRSB-FAEJEUNOSA-N 2 0 289.467 2.627 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC000665300424 414272394 /nfs/dbraw/zinc/27/23/94/414272394.db2.gz BKQXQPHTMGQTCM-GRYCIOLGSA-N 2 0 278.362 2.943 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299577 414273937 /nfs/dbraw/zinc/27/39/37/414273937.db2.gz PMDKKSBUEDTURW-XHSDSOJGSA-N 2 0 296.418 2.577 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661864799 414276505 /nfs/dbraw/zinc/27/65/05/414276505.db2.gz PPHSPEUYYHKQOD-DLBZAZTESA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661864815 414276586 /nfs/dbraw/zinc/27/65/86/414276586.db2.gz PPHSPEUYYHKQOD-SJORKVTESA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3ccccc23)CC[N@@H+]1C ZINC000658211688 414283650 /nfs/dbraw/zinc/28/36/50/414283650.db2.gz BCZZOVXYVVQCNJ-HOCLYGCPSA-N 2 0 285.435 2.793 20 0 CFADRP COCc1csc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000658209786 414283906 /nfs/dbraw/zinc/28/39/06/414283906.db2.gz SLWZCBMRDKATBK-LBPRGKRZSA-N 2 0 282.453 2.714 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878881 414291927 /nfs/dbraw/zinc/29/19/27/414291927.db2.gz RJCCGWJNSAEYQS-ZACQAIPSSA-N 2 0 280.456 2.752 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000658315178 414370828 /nfs/dbraw/zinc/37/08/28/414370828.db2.gz MLYCXSMWGSQBOF-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@H]2CCC[C@H]21 ZINC000658324712 414375671 /nfs/dbraw/zinc/37/56/71/414375671.db2.gz CGWIDAJHUUFLKE-OWCLPIDISA-N 2 0 262.397 2.675 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000658329325 414379368 /nfs/dbraw/zinc/37/93/68/414379368.db2.gz LBEWKCREAZEIMB-HYVNUMGLSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000658330686 414380874 /nfs/dbraw/zinc/38/08/74/414380874.db2.gz UOZOSZHKOJZYGW-NPYXIHBLSA-N 2 0 280.456 2.797 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655717176 414385596 /nfs/dbraw/zinc/38/55/96/414385596.db2.gz WJZWAMBCDNGGOY-HIFRSBDPSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655716746 414387488 /nfs/dbraw/zinc/38/74/88/414387488.db2.gz MXUZGQVQGYBGSU-RBSFLKMASA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655719831 414389414 /nfs/dbraw/zinc/38/94/14/414389414.db2.gz NDCUYILANKLYPW-UKRRQHHQSA-N 2 0 270.486 2.982 20 0 CFADRP C(CC[NH+]1CC[C@@H]2C[C@@H]2C1)CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972418 414321590 /nfs/dbraw/zinc/32/15/90/414321590.db2.gz QFBIHJKXGCHLLI-WNKDZCFJSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000655760905 414413166 /nfs/dbraw/zinc/41/31/66/414413166.db2.gz AKUTZHMTZMSHTN-JSGCOSHPSA-N 2 0 268.470 2.735 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655786266 414432312 /nfs/dbraw/zinc/43/23/12/414432312.db2.gz OOAIQBFJLQGNHU-IAGOWNOFSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349037018 287282582 /nfs/dbraw/zinc/28/25/82/287282582.db2.gz QOAJGUVUPORHAZ-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCC1CC1)CC1CC1 ZINC000662179406 414445161 /nfs/dbraw/zinc/44/51/61/414445161.db2.gz OFHOJINIFFCWJX-MRXNPFEDSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805156 414449382 /nfs/dbraw/zinc/44/93/82/414449382.db2.gz JQLYCBOOFLWYEQ-BARDWOONSA-N 2 0 268.445 2.508 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000655804856 414449742 /nfs/dbraw/zinc/44/97/42/414449742.db2.gz DLLLETNAYQXYCJ-VNQPRFMTSA-N 2 0 261.413 2.709 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000655803947 414449861 /nfs/dbraw/zinc/44/98/61/414449861.db2.gz JMQZNVKXUIUASB-HHARLNAUSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000655805615 414450851 /nfs/dbraw/zinc/45/08/51/414450851.db2.gz QFDWDZIWHUHTQZ-MCIONIFRSA-N 2 0 286.423 2.564 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000655806721 414451112 /nfs/dbraw/zinc/45/11/12/414451112.db2.gz ZVXYXPYSVNZHTR-OZVIIMIRSA-N 2 0 262.372 2.743 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806965 414451294 /nfs/dbraw/zinc/45/12/94/414451294.db2.gz FNGALXQBORKTBT-MELADBBJSA-N 2 0 262.397 2.686 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655825682 414462106 /nfs/dbraw/zinc/46/21/06/414462106.db2.gz LYGAOSJDPNHRFU-GASCZTMLSA-N 2 0 262.397 2.515 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000655826534 414462531 /nfs/dbraw/zinc/46/25/31/414462531.db2.gz HMYGNGLMMQKCLE-BJHJDKERSA-N 2 0 290.436 2.568 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662243486 414471142 /nfs/dbraw/zinc/47/11/42/414471142.db2.gz CIPCHAMKYCWZLD-STQMWFEESA-N 2 0 289.448 2.898 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000662243237 414471659 /nfs/dbraw/zinc/47/16/59/414471659.db2.gz HBUQZISMISKVMY-KMFMINBZSA-N 2 0 258.409 2.776 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352188 414397833 /nfs/dbraw/zinc/39/78/33/414397833.db2.gz DSLQJFRSUDIQGS-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@]1(C)CCCO1 ZINC000658353022 414397842 /nfs/dbraw/zinc/39/78/42/414397842.db2.gz JERZQTWAJGWOLB-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352190 414398491 /nfs/dbraw/zinc/39/84/91/414398491.db2.gz DSLQJFRSUDIQGS-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CCn1cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000658352971 414398826 /nfs/dbraw/zinc/39/88/26/414398826.db2.gz AQPWQWDEQPURHI-AWEZNQCLSA-N 2 0 290.455 2.676 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000658354453 414400528 /nfs/dbraw/zinc/40/05/28/414400528.db2.gz CWHCWKRHOMNOGT-DLBZAZTESA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248441 414475581 /nfs/dbraw/zinc/47/55/81/414475581.db2.gz BSYZHBAXPJSVFK-SFHVURJKSA-N 2 0 296.414 2.793 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)on1 ZINC000662251518 414475642 /nfs/dbraw/zinc/47/56/42/414475642.db2.gz DOPROSPHYNGGRW-KRWDZBQOSA-N 2 0 297.402 2.966 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)ccn1 ZINC000655848523 414476054 /nfs/dbraw/zinc/47/60/54/414476054.db2.gz HGZAXPTUWLBVPR-BPUTZDHNSA-N 2 0 289.423 2.758 20 0 CFADRP CCC1CCC([N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)CC1 ZINC000662252438 414476685 /nfs/dbraw/zinc/47/66/85/414476685.db2.gz OGBDDWQPXBQOAZ-VMBOVVBDSA-N 2 0 292.467 2.941 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000655849158 414476795 /nfs/dbraw/zinc/47/67/95/414476795.db2.gz PPRPSEXYEOZKLG-XUWVNRHRSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251072 414476911 /nfs/dbraw/zinc/47/69/11/414476911.db2.gz XIWMNDGTBSUASJ-WFASDCNBSA-N 2 0 294.826 2.854 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccncc1 ZINC000655849000 414477206 /nfs/dbraw/zinc/47/72/06/414477206.db2.gz ODUZXXOSZMCSTN-BPUTZDHNSA-N 2 0 259.397 2.749 20 0 CFADRP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250763 414477801 /nfs/dbraw/zinc/47/78/01/414477801.db2.gz NNMIUJMXBRITQU-QWHCGFSZSA-N 2 0 294.826 2.854 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252870 414477867 /nfs/dbraw/zinc/47/78/67/414477867.db2.gz QPYDDWMFTZGERX-QGZVFWFLSA-N 2 0 288.435 2.666 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@H]2CCC[C@H]21 ZINC000655853259 414480756 /nfs/dbraw/zinc/48/07/56/414480756.db2.gz UDZIOZAWMRGQFK-VVLHAWIVSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259379 414481623 /nfs/dbraw/zinc/48/16/23/414481623.db2.gz WOJMUGGPQDQWRP-INIZCTEOSA-N 2 0 288.435 2.508 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662267892 414484470 /nfs/dbraw/zinc/48/44/70/414484470.db2.gz ZUPFJEICUBEOPB-AEFFLSMTSA-N 2 0 270.420 2.792 20 0 CFADRP CC1([NH3+])CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662271115 414486941 /nfs/dbraw/zinc/48/69/41/414486941.db2.gz RHAHQKRSFJKTAX-HNNXBMFYSA-N 2 0 258.409 2.920 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662273044 414488774 /nfs/dbraw/zinc/48/87/74/414488774.db2.gz KFRVGTOGQJVBCA-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000662272770 414489303 /nfs/dbraw/zinc/48/93/03/414489303.db2.gz PLVHDVZLQFNLIM-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP CO[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000662273229 414489416 /nfs/dbraw/zinc/48/94/16/414489416.db2.gz KRAWNHDZBXGMSD-BBWFWOEESA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000662274495 414491206 /nfs/dbraw/zinc/49/12/06/414491206.db2.gz USGAHGCSJVQJAB-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP COc1cccc(SCC[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000662275985 414491502 /nfs/dbraw/zinc/49/15/02/414491502.db2.gz GMCIRNYOSUGRRL-HNNXBMFYSA-N 2 0 294.464 2.765 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000662276482 414492962 /nfs/dbraw/zinc/49/29/62/414492962.db2.gz NJJSFAJLTZWKBJ-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281288 414494239 /nfs/dbraw/zinc/49/42/39/414494239.db2.gz MGCPFUUICPCIGR-HZPDHXFCSA-N 2 0 266.429 2.561 20 0 CFADRP C[C@H]1CC[N@H+](CCc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000662283457 414494327 /nfs/dbraw/zinc/49/43/27/414494327.db2.gz TZQALXHUYGAULV-STQMWFEESA-N 2 0 289.448 2.756 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662282203 414494554 /nfs/dbraw/zinc/49/45/54/414494554.db2.gz DKSUJIYPEGQASL-BZUAXINKSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CC[C@H]3C[C@H]3C1)CC[NH2+]CC2 ZINC000662283486 414494697 /nfs/dbraw/zinc/49/46/97/414494697.db2.gz OWKUQVCXMDJIJI-LVQVYYBASA-N 2 0 262.441 2.887 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CCCCC1 ZINC000662283569 414494769 /nfs/dbraw/zinc/49/47/69/414494769.db2.gz ATXPGPDBDRURIT-BBWFWOEESA-N 2 0 280.456 2.643 20 0 CFADRP Cc1ccccc1[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662283184 414494922 /nfs/dbraw/zinc/49/49/22/414494922.db2.gz RUJIXUYQPKPRCA-WBVHZDCISA-N 2 0 288.435 2.803 20 0 CFADRP FC1(F)C[C@]12CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662283754 414494952 /nfs/dbraw/zinc/49/49/52/414494952.db2.gz KJDOZVYXPOIWBI-HNNXBMFYSA-N 2 0 278.346 2.563 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCSc1ccc(F)cc1 ZINC000662283474 414495177 /nfs/dbraw/zinc/49/51/77/414495177.db2.gz OQWAJTMVYOUKFL-ZIAGYGMSSA-N 2 0 268.401 2.777 20 0 CFADRP CO[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CCCCC1 ZINC000662283571 414495868 /nfs/dbraw/zinc/49/58/68/414495868.db2.gz ATXPGPDBDRURIT-ULQDDVLXSA-N 2 0 280.456 2.643 20 0 CFADRP CC(C)CCOCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290949 414497594 /nfs/dbraw/zinc/49/75/94/414497594.db2.gz ALTOYGVMVSOTTK-KRWDZBQOSA-N 2 0 282.472 2.761 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293376 414498139 /nfs/dbraw/zinc/49/81/39/414498139.db2.gz KMJFNZCURUKHKX-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CCC1 ZINC000662295715 414499108 /nfs/dbraw/zinc/49/91/08/414499108.db2.gz WOQSCVRAOGKOKB-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C1CCC1 ZINC000662295216 414499606 /nfs/dbraw/zinc/49/96/06/414499606.db2.gz UIJIPXUSNHMHHY-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1F ZINC000662303092 414500482 /nfs/dbraw/zinc/50/04/82/414500482.db2.gz SBMYWLIUNSNHJB-XJKSGUPXSA-N 2 0 292.398 2.633 20 0 CFADRP COc1ccc([C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1F ZINC000662305248 414501217 /nfs/dbraw/zinc/50/12/17/414501217.db2.gz FXBFKCAUMZMRMR-DOMZBBRYSA-N 2 0 278.371 2.581 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000662305687 414502879 /nfs/dbraw/zinc/50/28/79/414502879.db2.gz JWEMDZJVXAFHGC-ZDUSSCGKSA-N 2 0 292.427 2.666 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312982 414503955 /nfs/dbraw/zinc/50/39/55/414503955.db2.gz IWPUEIUTXDFVMJ-HUUCEWRRSA-N 2 0 256.434 2.641 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000662310281 414503964 /nfs/dbraw/zinc/50/39/64/414503964.db2.gz JIKXFUNXQNDYKE-HOCLYGCPSA-N 2 0 294.414 2.809 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2noc3c2CCCC3)[C@@H]1CCC[NH3+] ZINC000662312891 414504012 /nfs/dbraw/zinc/50/40/12/414504012.db2.gz HILNTGTZCUAUJA-CZUORRHYSA-N 2 0 291.439 2.893 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662316546 414505436 /nfs/dbraw/zinc/50/54/36/414505436.db2.gz VMUIETWVIOUSOW-YESZJQIVSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)[C@@H]1CCC[NH3+] ZINC000662317860 414505766 /nfs/dbraw/zinc/50/57/66/414505766.db2.gz UFPLUPBAMQOLAX-NVXWUHKLSA-N 3 0 281.488 2.606 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC23CCC(CC2)C3)CCO1 ZINC000662324570 414506849 /nfs/dbraw/zinc/50/68/49/414506849.db2.gz YAKGYOBFVNYOBG-CGZBRXJRSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662322617 414507233 /nfs/dbraw/zinc/50/72/33/414507233.db2.gz WHRXOQAMXSKYQF-SJLPKXTDSA-N 2 0 290.451 2.833 20 0 CFADRP CC[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327310 414507284 /nfs/dbraw/zinc/50/72/84/414507284.db2.gz MYQWBDGRTKWNCL-CYBMUJFWSA-N 2 0 290.455 2.855 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)CCO1 ZINC000662323721 414507920 /nfs/dbraw/zinc/50/79/20/414507920.db2.gz PTATZYFEZFQXRV-AEFFLSMTSA-N 2 0 288.435 2.717 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656196922 414531521 /nfs/dbraw/zinc/53/15/21/414531521.db2.gz WGKDEZQVZMUGBM-KBPBESRZSA-N 2 0 276.424 2.832 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000656196763 414532180 /nfs/dbraw/zinc/53/21/80/414532180.db2.gz FDKXOJJXXAYAEL-YYIAUSFCSA-N 2 0 292.398 2.905 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198077 414532870 /nfs/dbraw/zinc/53/28/70/414532870.db2.gz CYNTVPSYIHWRBI-JLVJUDLZSA-N 2 0 254.418 2.582 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000656199727 414533885 /nfs/dbraw/zinc/53/38/85/414533885.db2.gz BQGISCMDLPPIRW-DLBZAZTESA-N 2 0 287.451 2.937 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656200579 414533947 /nfs/dbraw/zinc/53/39/47/414533947.db2.gz AGNRVTLAIPJZAR-XMTFNYHQSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]1 ZINC000656200750 414534479 /nfs/dbraw/zinc/53/44/79/414534479.db2.gz CYUKXYCUSWDYMY-WZRBSPASSA-N 2 0 260.372 2.931 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1CCC[NH2+]1 ZINC000656200738 414534744 /nfs/dbraw/zinc/53/47/44/414534744.db2.gz CYUKXYCUSWDYMY-GMXVVIOVSA-N 2 0 260.372 2.931 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC(C)(C)C ZINC000659861612 414595635 /nfs/dbraw/zinc/59/56/35/414595635.db2.gz YDMGMPZYFIOINV-HUUCEWRRSA-N 2 0 270.461 2.588 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CCC1 ZINC000659877145 414602957 /nfs/dbraw/zinc/60/29/57/414602957.db2.gz QQQZKXCTAAMFJE-KRWDZBQOSA-N 2 0 282.472 2.854 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000659909608 414612751 /nfs/dbraw/zinc/61/27/51/414612751.db2.gz OPYUXQNMXFMBFO-KURKYZTESA-N 2 0 293.499 2.525 20 0 CFADRP C(CC1CCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000659949498 414628376 /nfs/dbraw/zinc/62/83/76/414628376.db2.gz XVPVBTOOSQMBIJ-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1c[nH+]ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000334771872 292979602 /nfs/dbraw/zinc/97/96/02/292979602.db2.gz XPNPEPCPPYWIPI-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000656269378 414554397 /nfs/dbraw/zinc/55/43/97/414554397.db2.gz PRTNVXBDBROHQE-OTVXOJSOSA-N 2 0 266.816 2.812 20 0 CFADRP CC[C@H](CC(F)F)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000659845714 414581463 /nfs/dbraw/zinc/58/14/63/414581463.db2.gz XDHFIZUNVUMADY-GFCCVEGCSA-N 2 0 262.388 2.941 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659974801 414638770 /nfs/dbraw/zinc/63/87/70/414638770.db2.gz JOFASCCZBBWEKS-LVQVYYBASA-N 2 0 250.430 2.696 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659974797 414638812 /nfs/dbraw/zinc/63/88/12/414638812.db2.gz JOFASCCZBBWEKS-JONQDZQNSA-N 2 0 250.430 2.696 20 0 CFADRP C(CC1CCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000659949500 414628591 /nfs/dbraw/zinc/62/85/91/414628591.db2.gz XVPVBTOOSQMBIJ-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000659983791 414642123 /nfs/dbraw/zinc/64/21/23/414642123.db2.gz VWKKNQIKQIGTIR-TVFCKZIOSA-N 2 0 295.515 2.769 20 0 CFADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656697283 414642613 /nfs/dbraw/zinc/64/26/13/414642613.db2.gz AGIZNAMKIRWGFD-ARFHVFGLSA-N 2 0 270.461 2.588 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414901770 287288715 /nfs/dbraw/zinc/28/87/15/287288715.db2.gz GUUGFNHMEBUHGW-NUJGCVRESA-N 2 0 293.499 2.761 20 0 CFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000659994932 414645610 /nfs/dbraw/zinc/64/56/10/414645610.db2.gz PWTHSABCINCTOH-FJIDUMEYSA-N 2 0 293.499 2.523 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCC2)[C@H](C)C1 ZINC000660082151 414660408 /nfs/dbraw/zinc/66/04/08/414660408.db2.gz KXJXTPHUKRPMHU-HYVNUMGLSA-N 2 0 282.472 2.854 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115453 414664689 /nfs/dbraw/zinc/66/46/89/414664689.db2.gz OLRWFXAIKVHQDW-CGTJXYLNSA-N 2 0 292.467 2.750 20 0 CFADRP CC(C)=CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000660115595 414665333 /nfs/dbraw/zinc/66/53/33/414665333.db2.gz CLFFQUYDCGSKHG-ARFHVFGLSA-N 2 0 266.429 2.526 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668099 174366784 /nfs/dbraw/zinc/36/67/84/174366784.db2.gz QLPGSECFOOCNDZ-FUHWJXTLSA-N 2 0 295.515 2.959 20 0 CFADRP CCCC(CCC)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770009 174399358 /nfs/dbraw/zinc/39/93/58/174399358.db2.gz WQQZUPJFNMTGEY-QGZVFWFLSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)N1CC[NH+](C)CC1 ZINC000040770050 174399567 /nfs/dbraw/zinc/39/95/67/174399567.db2.gz OSYXQGQCHFZCBH-ZACQAIPSSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000040770138 174399964 /nfs/dbraw/zinc/39/99/64/174399964.db2.gz PYUSZZFMUBOSPJ-AEFFLSMTSA-N 2 0 289.467 2.609 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663343822 414676104 /nfs/dbraw/zinc/67/61/04/414676104.db2.gz FZXLDCYETPMQQP-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344840 414676134 /nfs/dbraw/zinc/67/61/34/414676134.db2.gz YPOORWMYEDVUPK-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344484 414676157 /nfs/dbraw/zinc/67/61/57/414676157.db2.gz UMPKVENSIYMJNY-BRWVUGGUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344037 414676441 /nfs/dbraw/zinc/67/64/41/414676441.db2.gz MQNYYNYNXQJFJD-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663346603 414677909 /nfs/dbraw/zinc/67/79/09/414677909.db2.gz AMWQFJLIZKEOCW-QGZVFWFLSA-N 2 0 258.409 2.898 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000246091524 287295130 /nfs/dbraw/zinc/29/51/30/287295130.db2.gz IPVZEMVTNVRXKF-XDNAFOTISA-N 2 0 295.515 2.674 20 0 CFADRP CCOc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044515299 175189853 /nfs/dbraw/zinc/18/98/53/175189853.db2.gz DFUYEPFPEATNII-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534081 175196806 /nfs/dbraw/zinc/19/68/06/175196806.db2.gz NQWVBYWKJYWUKA-UONOGXRCSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534079 175197233 /nfs/dbraw/zinc/19/72/33/175197233.db2.gz NQWVBYWKJYWUKA-KGLIPLIRSA-N 2 0 250.386 2.532 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044533833 175197489 /nfs/dbraw/zinc/19/74/89/175197489.db2.gz PDUCTWJMBAFOQY-ZFWWWQNUSA-N 2 0 289.423 2.637 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)C[NH+]1CCCC1 ZINC000070938938 176013086 /nfs/dbraw/zinc/01/30/86/176013086.db2.gz UWJOLUYHMHCXAI-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000393652778 270308141 /nfs/dbraw/zinc/30/81/41/270308141.db2.gz QSPXHGDSOLRGSF-YHUYYLMFSA-N 2 0 282.472 2.684 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422882932 287347912 /nfs/dbraw/zinc/34/79/12/287347912.db2.gz PPRRJZQDXABITK-IXDOHACOSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C)CC2)CC1 ZINC000447165140 287354625 /nfs/dbraw/zinc/35/46/25/287354625.db2.gz DVLAGRRTPCZHSZ-BJWYYQGGSA-N 2 0 282.472 2.591 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000344593035 289888867 /nfs/dbraw/zinc/88/88/67/289888867.db2.gz PNPNFQSHVVFGDG-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400906071 420503391 /nfs/dbraw/zinc/50/33/91/420503391.db2.gz BBTPGEGTMAOJHZ-CYUUQNCZSA-N 2 0 278.465 2.965 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916264 420501650 /nfs/dbraw/zinc/50/16/50/420501650.db2.gz KROVCJXTFVEGRH-SJORKVTESA-N 2 0 258.409 2.959 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517390280 260175577 /nfs/dbraw/zinc/17/55/77/260175577.db2.gz FTXDDRYKQPPSSI-HUUCEWRRSA-N 2 0 262.397 2.623 20 0 CFADRP CC[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)[C@H]1CCOC1 ZINC000312941052 260223613 /nfs/dbraw/zinc/22/36/13/260223613.db2.gz ZWZKGHUYKKSXQQ-YESZJQIVSA-N 2 0 276.424 2.694 20 0 CFADRP CSC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161636840 261103073 /nfs/dbraw/zinc/10/30/73/261103073.db2.gz HHFKIFPDTRDYLJ-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000390228441 262160459 /nfs/dbraw/zinc/16/04/59/262160459.db2.gz DOXDKZQCQVTCLP-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390579288 262222359 /nfs/dbraw/zinc/22/23/59/262222359.db2.gz HOVCRJRMXBFYFJ-IRXDYDNUSA-N 2 0 276.424 2.700 20 0 CFADRP Fc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000320845282 265042794 /nfs/dbraw/zinc/04/27/94/265042794.db2.gz HBTASXVMTJHYRY-GASCZTMLSA-N 2 0 299.393 2.805 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000519138991 265330080 /nfs/dbraw/zinc/33/00/80/265330080.db2.gz OLHKDGYATJAQAZ-FPCVCCKLSA-N 2 0 290.455 2.553 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000514660662 266031543 /nfs/dbraw/zinc/03/15/43/266031543.db2.gz IAYAYXMBOQFVSD-ZDUSSCGKSA-N 2 0 252.427 2.844 20 0 CFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414876396 533687222 /nfs/dbraw/zinc/68/72/22/533687222.db2.gz LINUPSXIKIXBTJ-LLVKDONJSA-N 2 0 295.814 2.528 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H](C)C2)CC1 ZINC000192803567 270234725 /nfs/dbraw/zinc/23/47/25/270234725.db2.gz ZHHNUDYRHDSMOL-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP CCCCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C(C)C ZINC000227800284 270258272 /nfs/dbraw/zinc/25/82/72/270258272.db2.gz XTYFMZXAAYPYGS-ROUUACIJSA-N 2 0 292.467 2.818 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237155507 270264899 /nfs/dbraw/zinc/26/48/99/270264899.db2.gz QYUVLSNQKZDYLU-DYVFJYSZSA-N 2 0 297.402 2.681 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000258950491 270274641 /nfs/dbraw/zinc/27/46/41/270274641.db2.gz KLMCGBPIKZHZOV-CVEARBPZSA-N 2 0 260.425 2.996 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000258867278 270274941 /nfs/dbraw/zinc/27/49/41/270274941.db2.gz AKJOHBXIDDRHFK-CQSZACIVSA-N 2 0 262.397 2.565 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000313257102 270290314 /nfs/dbraw/zinc/29/03/14/270290314.db2.gz USWBLSALHAYTRI-GVDBMIGSSA-N 2 0 280.456 2.704 20 0 CFADRP CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1CCCC1 ZINC000313387186 270290684 /nfs/dbraw/zinc/29/06/84/270290684.db2.gz IIDZLHMBMLDMIM-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP C[N@H+](CCNc1nc2ccccc2[nH]1)Cc1ccccc1 ZINC000342709248 270302595 /nfs/dbraw/zinc/30/25/95/270302595.db2.gz LTHRYMINYNGTHZ-UHFFFAOYSA-N 2 0 280.375 2.529 20 0 CFADRP c1nn(Cc2ccccc2)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000390179268 270305855 /nfs/dbraw/zinc/30/58/55/270305855.db2.gz JGFPNXUJQOQXHD-SFHVURJKSA-N 2 0 298.434 2.553 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000393652780 270308108 /nfs/dbraw/zinc/30/81/08/270308108.db2.gz QSPXHGDSOLRGSF-ZJIFWQFVSA-N 2 0 282.472 2.684 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000395367150 270312122 /nfs/dbraw/zinc/31/21/22/270312122.db2.gz ZXWPRMNTLNDIMJ-HHTDUIENSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2COC(C)(C)C2)CN1Cc1ccccc1 ZINC000396609073 270315231 /nfs/dbraw/zinc/31/52/31/270315231.db2.gz SPPCLKXQGOQDQF-DJIMGWMZSA-N 2 0 288.435 2.807 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000397264320 270316413 /nfs/dbraw/zinc/31/64/13/270316413.db2.gz IPGSBUNUCIMYAJ-VHSXEESVSA-N 2 0 289.242 2.728 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(OC)c1 ZINC000397234237 270316631 /nfs/dbraw/zinc/31/66/31/270316631.db2.gz AMCBOZMRDMGMLY-IPYPFGDCSA-N 2 0 292.423 2.509 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000397250191 270316847 /nfs/dbraw/zinc/31/68/47/270316847.db2.gz CFLNFEAILLQPDM-NFAWXSAZSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000397253658 270316941 /nfs/dbraw/zinc/31/69/41/270316941.db2.gz DQJUNLACYJSGDI-YRGRVCCFSA-N 2 0 250.361 2.631 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398057367 270321539 /nfs/dbraw/zinc/32/15/39/270321539.db2.gz AKFXMVDERJFOFK-JZXOWHBKSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@@H]([NH2+]CCc1csc2ccccc12)C1C[NH2+]C1 ZINC000422931427 270332463 /nfs/dbraw/zinc/33/24/63/270332463.db2.gz BQYFLSDGRSDMMT-LLVKDONJSA-N 2 0 260.406 2.641 20 0 CFADRP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422930850 270332468 /nfs/dbraw/zinc/33/24/68/270332468.db2.gz WGCYZLRKXWTUPH-HZPDHXFCSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@@H](C[C@@H]1CCCO1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459395535 270337674 /nfs/dbraw/zinc/33/76/74/270337674.db2.gz HYFCANCBRRCORB-YOEHRIQHSA-N 2 0 289.423 2.598 20 0 CFADRP CC[NH2+]CCCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000514824941 270354942 /nfs/dbraw/zinc/35/49/42/270354942.db2.gz IJBJFTRKNRSPQI-AEFFLSMTSA-N 2 0 289.467 2.629 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000515674398 270374113 /nfs/dbraw/zinc/37/41/13/270374113.db2.gz MYLNQJCEGIEFQF-NUEKZKHPSA-N 2 0 250.430 2.885 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000516045976 270377092 /nfs/dbraw/zinc/37/70/92/270377092.db2.gz BDYPGFKKWHZQIV-XEZPLFJOSA-N 2 0 274.408 2.790 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000516821941 270388571 /nfs/dbraw/zinc/38/85/71/270388571.db2.gz AGIBEOXEYFTQNI-GFCCVEGCSA-N 2 0 284.806 2.953 20 0 CFADRP C[C@H]1CCN(CC[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000516997609 270393931 /nfs/dbraw/zinc/39/39/31/270393931.db2.gz INQSGUJADVHHJB-WMLDXEAASA-N 2 0 290.476 2.948 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1 ZINC000530232183 270777567 /nfs/dbraw/zinc/77/75/67/270777567.db2.gz OIWUOMIBWQKJTN-GXTWGEPZSA-N 2 0 298.377 2.857 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241744 270779432 /nfs/dbraw/zinc/77/94/32/270779432.db2.gz QJHNQFLVLXCOFR-WBVHZDCISA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647413 280153356 /nfs/dbraw/zinc/15/33/56/280153356.db2.gz YLTDSGNJAAQJHU-HNNXBMFYSA-N 2 0 256.434 2.657 20 0 CFADRP CCc1nc2ccccc2n1C1CC[NH+](CCC[NH3+])CC1 ZINC000420370604 273775032 /nfs/dbraw/zinc/77/50/32/273775032.db2.gz JTEDRSSVBUYGQY-UHFFFAOYSA-N 2 0 286.423 2.584 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000423327574 274137085 /nfs/dbraw/zinc/13/70/85/274137085.db2.gz LLAPBQGRARFVFN-IAGOWNOFSA-N 2 0 274.408 2.662 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)C2 ZINC000414897722 274152064 /nfs/dbraw/zinc/15/20/64/274152064.db2.gz FIYMWMLBEWCAKF-OAHLLOKOSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000211836086 274208702 /nfs/dbraw/zinc/20/87/02/274208702.db2.gz XMDGUPBIEIOBJZ-XHDPSFHLSA-N 2 0 266.816 2.737 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)[C@H](C)[NH3+] ZINC000423449440 274259273 /nfs/dbraw/zinc/25/92/73/274259273.db2.gz RLRZSDSCYKQJKK-IMSIIYSGSA-N 2 0 297.240 2.632 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000271518430 274339741 /nfs/dbraw/zinc/33/97/41/274339741.db2.gz PYBYMVCNRVMFJH-FMKPAKJESA-N 2 0 275.440 2.571 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCc3cc(N)ccc32)CC[NH2+]1 ZINC000332374726 274385943 /nfs/dbraw/zinc/38/59/43/274385943.db2.gz RJOHLJKQKMESLE-IIYDPXPESA-N 2 0 273.424 2.624 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261618 274415390 /nfs/dbraw/zinc/41/53/90/274415390.db2.gz SNJRWEHGEOVGML-CKEIUWERSA-N 2 0 258.409 2.899 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423461475 274475575 /nfs/dbraw/zinc/47/55/75/274475575.db2.gz SUGUJEZVCKXXRH-RHSMWYFYSA-N 2 0 298.434 2.967 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423256515 274513013 /nfs/dbraw/zinc/51/30/13/274513013.db2.gz FLGNFCBEQIPBAI-UONOGXRCSA-N 2 0 286.423 2.614 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCc3c2cccc3F)CCC[NH2+]C1 ZINC000423331505 274651397 /nfs/dbraw/zinc/65/13/97/274651397.db2.gz ONKQFURWYZVOLV-HOTGVXAUSA-N 2 0 262.372 2.792 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423558545 274777324 /nfs/dbraw/zinc/77/73/24/274777324.db2.gz NZGUUDKXLOZWFH-QGZVFWFLSA-N 2 0 256.393 2.882 20 0 CFADRP c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000232486596 275069288 /nfs/dbraw/zinc/06/92/88/275069288.db2.gz QCPSEWRRYVZERR-OKZBNKHCSA-N 2 0 270.420 2.664 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000414971075 275069989 /nfs/dbraw/zinc/06/99/89/275069989.db2.gz VTWBHVAWWPXRGD-SJORKVTESA-N 2 0 258.409 2.666 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCc4ccccc4C3)ccc12 ZINC000297550203 275077515 /nfs/dbraw/zinc/07/75/15/275077515.db2.gz POSXVFSSOFXKEK-QGZVFWFLSA-N 2 0 277.371 2.981 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645423 275391117 /nfs/dbraw/zinc/39/11/17/275391117.db2.gz ALYMEVHEJJJLCE-HNNXBMFYSA-N 2 0 268.470 2.690 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCO1 ZINC000423042864 275590526 /nfs/dbraw/zinc/59/05/26/275590526.db2.gz MLDXTRDSFFBHMM-SOUVJXGZSA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449195919 275627244 /nfs/dbraw/zinc/62/72/44/275627244.db2.gz WZKTUENMRDZXSG-BZUAXINKSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423250792 275746624 /nfs/dbraw/zinc/74/66/24/275746624.db2.gz VLJLPPHONZFQEB-FHLIZLRMSA-N 2 0 289.467 2.930 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000344640602 275941408 /nfs/dbraw/zinc/94/14/08/275941408.db2.gz MAYPJYHHPUOCAV-GJZGRUSLSA-N 2 0 282.472 2.636 20 0 CFADRP CCC1(C)CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000447594483 275960606 /nfs/dbraw/zinc/96/06/06/275960606.db2.gz ZDMBICSTZBWZLH-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000422996587 276002397 /nfs/dbraw/zinc/00/23/97/276002397.db2.gz TWVGJGXEJIAQBJ-HMDCTGQHSA-N 2 0 280.456 2.700 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000453105101 276003935 /nfs/dbraw/zinc/00/39/35/276003935.db2.gz GTGICQKHYJDBJQ-UKRRQHHQSA-N 2 0 276.428 2.601 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(C)C2)CC1 ZINC000338958441 276013220 /nfs/dbraw/zinc/01/32/20/276013220.db2.gz RTACMOJQQPTGRE-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414800653 276021479 /nfs/dbraw/zinc/02/14/79/276021479.db2.gz SKVPVTHMRNCOJR-OUAUKWLOSA-N 2 0 252.324 2.680 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CS1 ZINC000488454950 276033567 /nfs/dbraw/zinc/03/35/67/276033567.db2.gz JPGBUPOTADFXCC-UONOGXRCSA-N 2 0 258.475 2.836 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414934572 276042537 /nfs/dbraw/zinc/04/25/37/276042537.db2.gz FGLUMRXWCNXGIP-UAGQMJEPSA-N 2 0 260.425 2.985 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414934574 276042560 /nfs/dbraw/zinc/04/25/60/276042560.db2.gz FGLUMRXWCNXGIP-USXIJHARSA-N 2 0 260.425 2.985 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422743505 276075914 /nfs/dbraw/zinc/07/59/14/276075914.db2.gz RPMLTYNJWOAAQB-QAPCUYQASA-N 2 0 289.467 2.759 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143642 276094437 /nfs/dbraw/zinc/09/44/37/276094437.db2.gz DODUHWSNUNUWDE-CJNGLKHVSA-N 2 0 296.361 2.877 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422694763 276110383 /nfs/dbraw/zinc/11/03/83/276110383.db2.gz OMUDQOIYWLXKES-YJBOKZPZSA-N 2 0 289.467 2.616 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133997003 276199379 /nfs/dbraw/zinc/19/93/79/276199379.db2.gz NTJHFDBVADMYQU-KURKYZTESA-N 2 0 293.499 2.594 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000337985973 276221817 /nfs/dbraw/zinc/22/18/17/276221817.db2.gz MYWYEJPOANCRSQ-RBSFLKMASA-N 2 0 256.409 2.836 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000360414676 276222251 /nfs/dbraw/zinc/22/22/51/276222251.db2.gz RSYKEDKMRSLQJW-PBFPGSCMSA-N 2 0 276.399 2.990 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000453410573 276229758 /nfs/dbraw/zinc/22/97/58/276229758.db2.gz IAXNCODLAJKOMU-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Oc3ccccc3[C@H]2C)[C@H](C)C1 ZINC000368280532 276229784 /nfs/dbraw/zinc/22/97/84/276229784.db2.gz IWDSUVPFJPSKKK-AHEZYBDSSA-N 2 0 288.435 2.871 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000090176559 276229827 /nfs/dbraw/zinc/22/98/27/276229827.db2.gz PMORCQLCXPPWQO-COXVUDFISA-N 2 0 294.414 2.833 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000164498124 276234220 /nfs/dbraw/zinc/23/42/20/276234220.db2.gz ACJHTVOKEDDCIE-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCO[C@H](CC)C2)C1 ZINC000356998164 276247870 /nfs/dbraw/zinc/24/78/70/276247870.db2.gz SQGXLPAPKHNTSG-YESZJQIVSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423107283 276262173 /nfs/dbraw/zinc/26/21/73/276262173.db2.gz KNBIPESZALFYND-XKQJLSEDSA-N 2 0 273.424 2.595 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000365064749 276263559 /nfs/dbraw/zinc/26/35/59/276263559.db2.gz AXQYBBHYSXOCJN-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000192550206 276308497 /nfs/dbraw/zinc/30/84/97/276308497.db2.gz VPAJFYFTVSYZQW-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355616280 276330805 /nfs/dbraw/zinc/33/08/05/276330805.db2.gz ZLOFDULHCQZNIQ-OTBWCIGPSA-N 2 0 280.456 2.798 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000311955567 276334790 /nfs/dbraw/zinc/33/47/90/276334790.db2.gz KLCAVOPHXRLLHZ-CQSZACIVSA-N 2 0 264.413 2.830 20 0 CFADRP CCO[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1C ZINC000451535003 276338857 /nfs/dbraw/zinc/33/88/57/276338857.db2.gz YDTVSHWYIMFUNJ-OWCLPIDISA-N 2 0 268.445 2.608 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)C12CCCC2 ZINC000423186153 276344638 /nfs/dbraw/zinc/34/46/38/276344638.db2.gz WNCWXLILRYLXRS-HUUCEWRRSA-N 2 0 280.456 2.975 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C12CCCC2 ZINC000246764657 276345462 /nfs/dbraw/zinc/34/54/62/276345462.db2.gz AUEDVUKOZYELIF-DJIMGWMZSA-N 2 0 292.467 2.798 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000193426777 276358656 /nfs/dbraw/zinc/35/86/56/276358656.db2.gz HMETXVCNPAFSIX-DJIMGWMZSA-N 2 0 276.424 2.837 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])CC(F)(F)F ZINC000402548580 276626883 /nfs/dbraw/zinc/62/68/83/276626883.db2.gz DBUCVUXRCWKKIY-GARJFASQSA-N 2 0 252.324 2.682 20 0 CFADRP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000093942326 276637920 /nfs/dbraw/zinc/63/79/20/276637920.db2.gz TXJIJFZPLXDYGY-BZSNNMDCSA-N 2 0 295.515 2.818 20 0 CFADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H](C)[NH+](C)C ZINC000443449628 276657102 /nfs/dbraw/zinc/65/71/02/276657102.db2.gz SWQOHSYIFJYARK-GFCCVEGCSA-N 2 0 271.408 2.890 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000335149317 277023075 /nfs/dbraw/zinc/02/30/75/277023075.db2.gz XFRKCIUZIZKKCS-UHFFFAOYSA-N 2 0 270.420 2.786 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000044515887 277026906 /nfs/dbraw/zinc/02/69/06/277026906.db2.gz WQIQNRCHRBLQLB-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369203459 277036698 /nfs/dbraw/zinc/03/66/98/277036698.db2.gz LKGPTEQXYQLSTH-UHFFFAOYSA-N 2 0 258.409 2.994 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000374927720 277043692 /nfs/dbraw/zinc/04/36/92/277043692.db2.gz MTWUZMUPFUYJKU-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459813067 277044427 /nfs/dbraw/zinc/04/44/27/277044427.db2.gz WDUYUXJPCXTUQD-FGTMMUONSA-N 2 0 294.483 2.734 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000459789210 277073333 /nfs/dbraw/zinc/07/33/33/277073333.db2.gz QLFBDICVMQYHMF-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000459791745 277073896 /nfs/dbraw/zinc/07/38/96/277073896.db2.gz RTSNALTXFVILEH-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423221911 277083699 /nfs/dbraw/zinc/08/36/99/277083699.db2.gz YRDGLTVKEJYKMU-ZENOOKHLSA-N 2 0 289.423 2.684 20 0 CFADRP CC(C)(C)C1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415045159 277133759 /nfs/dbraw/zinc/13/37/59/277133759.db2.gz SRBZXDAUGMUDBI-NRXISQOPSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415128224 277140032 /nfs/dbraw/zinc/14/00/32/277140032.db2.gz RXQWDPVFYMJXTL-HUUCEWRRSA-N 2 0 268.445 2.641 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)[C@H]2CCC[C@H]21 ZINC000453405145 277171759 /nfs/dbraw/zinc/17/17/59/277171759.db2.gz DXRUTJFEAVOPLG-LVQVYYBASA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353601527 277171898 /nfs/dbraw/zinc/17/18/98/277171898.db2.gz AUXBAEBQYGZXQD-OWSLCNJRSA-N 2 0 294.483 2.638 20 0 CFADRP COCC(C)(C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000494080514 277196643 /nfs/dbraw/zinc/19/66/43/277196643.db2.gz SVOKKPLBLUFOOS-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)C[C@@H]2C1 ZINC000194539945 277198800 /nfs/dbraw/zinc/19/88/00/277198800.db2.gz VCYSNELKPAGPCA-NBMJBFSESA-N 2 0 284.447 2.990 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000247097389 277203243 /nfs/dbraw/zinc/20/32/43/277203243.db2.gz OMJXIHJUSZPKGC-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CC[C@@H](C)C1 ZINC000362151504 277217083 /nfs/dbraw/zinc/21/70/83/277217083.db2.gz TUAXLECDOIREAU-PMPSAXMXSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000374783083 277223173 /nfs/dbraw/zinc/22/31/73/277223173.db2.gz YRCYUGREYJLBKS-QLFBSQMISA-N 2 0 282.497 2.934 20 0 CFADRP COC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCCC1 ZINC000446880866 277247471 /nfs/dbraw/zinc/24/74/71/277247471.db2.gz JQSZKULSBFHCBU-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000423267839 277274686 /nfs/dbraw/zinc/27/46/86/277274686.db2.gz FKELHNUOHHSCNN-MFKMUULPSA-N 2 0 252.377 2.949 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1SC ZINC000423266161 277274782 /nfs/dbraw/zinc/27/47/82/277274782.db2.gz CYIUQMDSMGOUIM-NEPJUHHUSA-N 2 0 252.427 2.915 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423274913 277274861 /nfs/dbraw/zinc/27/48/61/277274861.db2.gz MNDYWRRBHZCBGY-MLGOLLRUSA-N 2 0 262.397 2.518 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435391302 277275681 /nfs/dbraw/zinc/27/56/81/277275681.db2.gz RYNQHIOUQGHJKL-WBVHZDCISA-N 2 0 260.425 2.797 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000268982559 277325338 /nfs/dbraw/zinc/32/53/38/277325338.db2.gz PFOIVNLKAMMJTH-ARFHVFGLSA-N 2 0 278.440 2.910 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000359939689 277325888 /nfs/dbraw/zinc/32/58/88/277325888.db2.gz DLOZVHZNLOQXMQ-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000449625133 277333328 /nfs/dbraw/zinc/33/33/28/277333328.db2.gz AXNUTLADRGQZPF-SWLSCSKDSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093453015 277357527 /nfs/dbraw/zinc/35/75/27/277357527.db2.gz NOOBIOBCIYACIJ-OAGGEKHMSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159523644 277386756 /nfs/dbraw/zinc/38/67/56/277386756.db2.gz YRUUZAWZTPPZIG-AWEZNQCLSA-N 2 0 256.459 2.592 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000423228607 277394873 /nfs/dbraw/zinc/39/48/73/277394873.db2.gz DIFIGVJAXDYURG-SSDMNJCBSA-N 2 0 290.407 2.551 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423120618 277480550 /nfs/dbraw/zinc/48/05/50/277480550.db2.gz HIKGKFCYKRZEGF-NVXWUHKLSA-N 2 0 292.467 2.987 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340233515 277577224 /nfs/dbraw/zinc/57/72/24/277577224.db2.gz DLXSBFNIJKNPRD-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(C)CC[NH+](C)CC3)C[C@H]2C1 ZINC000424279524 277763646 /nfs/dbraw/zinc/76/36/46/277763646.db2.gz KGGPSSRYQAXITM-GEEKYZPCSA-N 2 0 280.456 2.512 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089143055 277920142 /nfs/dbraw/zinc/92/01/42/277920142.db2.gz AWROUDSMUFLGJR-ZENOOKHLSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC000438088973 278002437 /nfs/dbraw/zinc/00/24/37/278002437.db2.gz SJQAYQHSTWDSNE-BBWFWOEESA-N 2 0 282.472 2.761 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000192438171 278031887 /nfs/dbraw/zinc/03/18/87/278031887.db2.gz MMJYGFLHEMRESH-MRXNPFEDSA-N 2 0 288.435 2.628 20 0 CFADRP COc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037161 278048914 /nfs/dbraw/zinc/04/89/14/278048914.db2.gz GMNQLAHATFCOOB-ZBFHGGJFSA-N 2 0 274.408 2.659 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000134009201 278121762 /nfs/dbraw/zinc/12/17/62/278121762.db2.gz RBQYROISRNPUQL-CHWSQXEVSA-N 2 0 250.411 2.862 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422865220 278140452 /nfs/dbraw/zinc/14/04/52/278140452.db2.gz OMFLMBBXBSXJII-XHDPSFHLSA-N 2 0 282.428 2.906 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157380424 278187097 /nfs/dbraw/zinc/18/70/97/278187097.db2.gz GNUDBPCBKOMHKE-XOKHGSTOSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@H](C[NH+]1C[C@H](C)[C@@H](C)C1)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464831149 278196232 /nfs/dbraw/zinc/19/62/32/278196232.db2.gz JOEJYUAIHBFJHT-QMHWVQJVSA-N 2 0 252.446 2.798 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C[NH+]1CCCCC1 ZINC000157414819 278210330 /nfs/dbraw/zinc/21/03/30/278210330.db2.gz UITJTIPJPDAWMU-FHLIZLRMSA-N 2 0 287.451 2.843 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423353651 278227484 /nfs/dbraw/zinc/22/74/84/278227484.db2.gz BVRDECXTRJWWHW-BLLLJJGKSA-N 2 0 261.413 2.753 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423298177 278245593 /nfs/dbraw/zinc/24/55/93/278245593.db2.gz NLJJFVWSRXIOKC-GXFFZTMASA-N 2 0 268.788 2.738 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000335495014 278270508 /nfs/dbraw/zinc/27/05/08/278270508.db2.gz GWMAWKTYPUFOJM-WCQYABFASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000110643955 278305165 /nfs/dbraw/zinc/30/51/65/278305165.db2.gz NCDNHQBVBDGDFQ-NEPJUHHUSA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)(C)CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328008 278313481 /nfs/dbraw/zinc/31/34/81/278313481.db2.gz MDLTTZGYKNBZSM-AWEZNQCLSA-N 2 0 268.445 2.500 20 0 CFADRP CC(C)(C)CCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328009 278313568 /nfs/dbraw/zinc/31/35/68/278313568.db2.gz MDLTTZGYKNBZSM-CQSZACIVSA-N 2 0 268.445 2.500 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1(C(=O)OC)CCC1 ZINC000421888686 288034042 /nfs/dbraw/zinc/03/40/42/288034042.db2.gz WWHXAQXUOCIZNC-NRXISQOPSA-N 2 0 296.455 2.571 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1c(C)nn(C)c1C ZINC000422798979 288034190 /nfs/dbraw/zinc/03/41/90/288034190.db2.gz UMMSHJRYOVIVMZ-NRXISQOPSA-N 2 0 278.444 2.595 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nc2c(s1)CCCC2 ZINC000333789780 278334360 /nfs/dbraw/zinc/33/43/60/278334360.db2.gz FZOYVRYRBSJKTB-VOMCLLRMSA-N 2 0 279.453 2.942 20 0 CFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1c[nH+]ccc1N ZINC000422750280 278339476 /nfs/dbraw/zinc/33/94/76/278339476.db2.gz AKHUZKIQMFCGJM-UONOGXRCSA-N 2 0 290.455 2.655 20 0 CFADRP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CCOCC1 ZINC000423280914 278347810 /nfs/dbraw/zinc/34/78/10/278347810.db2.gz TXWFKZPXFLPNPL-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nccc2ccccc21 ZINC000423206569 278351025 /nfs/dbraw/zinc/35/10/25/278351025.db2.gz GDOVQMKCEYLJSC-ZIAGYGMSSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000488579634 278355939 /nfs/dbraw/zinc/35/59/39/278355939.db2.gz JXEVGWLIEQTBGV-KBUPBQIOSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423130611 278356050 /nfs/dbraw/zinc/35/60/50/278356050.db2.gz GWVFHEXWSSJOTM-IWCQGFGOSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1Oc2ccccc2[C@H]1C ZINC000422918666 278363528 /nfs/dbraw/zinc/36/35/28/278363528.db2.gz IASUMPCCKMBDOP-WKIHFJMMSA-N 2 0 262.397 2.655 20 0 CFADRP CC1(C)Cc2occc2[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000423240664 278399981 /nfs/dbraw/zinc/39/99/81/278399981.db2.gz CNWBCRGVHATFJE-TZMCWYRMSA-N 2 0 262.397 2.882 20 0 CFADRP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353948074 278460520 /nfs/dbraw/zinc/46/05/20/278460520.db2.gz RGNPDRUZFFBSFX-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000251765669 278540206 /nfs/dbraw/zinc/54/02/06/278540206.db2.gz UPPMQYQLHLOJKA-KZNAEPCWSA-N 2 0 293.499 2.619 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000246764106 278540330 /nfs/dbraw/zinc/54/03/30/278540330.db2.gz ARHSSRNBSCHNSS-GVDBMIGSSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000423388312 288070564 /nfs/dbraw/zinc/07/05/64/288070564.db2.gz IOAWAHLUXLXRFK-AEGPPILISA-N 2 0 292.423 2.743 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000423388314 288090217 /nfs/dbraw/zinc/09/02/17/288090217.db2.gz IOAWAHLUXLXRFK-QEJZJMRPSA-N 2 0 292.423 2.743 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC1CC[NH+](C(C)C)CC1 ZINC000449385884 278981763 /nfs/dbraw/zinc/98/17/63/278981763.db2.gz RPRHQAOCIIDUAY-SFHVURJKSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340198 279021573 /nfs/dbraw/zinc/02/15/73/279021573.db2.gz VLXIKVZJQSFXOU-CZUORRHYSA-N 2 0 258.409 2.899 20 0 CFADRP CC[NH+](CC)CCCN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419373066 279092883 /nfs/dbraw/zinc/09/28/83/279092883.db2.gz MDDKQQATZGNSKQ-UHFFFAOYSA-N 2 0 269.477 2.525 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451829245 279093075 /nfs/dbraw/zinc/09/30/75/279093075.db2.gz ARDXBDDAEFNUTD-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061571133 279101269 /nfs/dbraw/zinc/10/12/69/279101269.db2.gz CCBPLLSGYFBUGV-ZIAGYGMSSA-N 2 0 258.475 2.982 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841730 279120700 /nfs/dbraw/zinc/12/07/00/279120700.db2.gz WSWUAPFUIFGSRU-OTBWCIGPSA-N 3 0 281.488 2.747 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422839826 279121172 /nfs/dbraw/zinc/12/11/72/279121172.db2.gz RMQPCVKEIZMWNC-BBWFWOEESA-N 3 0 281.488 2.619 20 0 CFADRP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352488468 279130006 /nfs/dbraw/zinc/13/00/06/279130006.db2.gz QOJBRQABPXBBMM-CQSZACIVSA-N 2 0 284.407 2.642 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000360244946 279134013 /nfs/dbraw/zinc/13/40/13/279134013.db2.gz ITYFGSNXBOHQKK-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000246007447 288107249 /nfs/dbraw/zinc/10/72/49/288107249.db2.gz KMLQFHLXRCKCLG-AAVRWANBSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000188674844 279151601 /nfs/dbraw/zinc/15/16/01/279151601.db2.gz NMZFYJXETICOCZ-GVDBMIGSSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000036908010 288102003 /nfs/dbraw/zinc/10/20/03/288102003.db2.gz WBYIIEYMNTXENR-OWCLPIDISA-N 2 0 281.488 2.569 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000339286720 279153172 /nfs/dbraw/zinc/15/31/72/279153172.db2.gz NOEKEFRGIZFVOO-AWEZNQCLSA-N 2 0 276.428 2.529 20 0 CFADRP C[C@@]1(C[NH2+][C@H](C2CC2)C2CCCC2)CCC[NH2+]C1 ZINC000423337503 279162864 /nfs/dbraw/zinc/16/28/64/279162864.db2.gz KFDUEUYKOZIGNI-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414739392 279177184 /nfs/dbraw/zinc/17/71/84/279177184.db2.gz PXFVTVNMVCWIMS-CIRFHOKZSA-N 2 0 270.420 2.648 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353400212 279248049 /nfs/dbraw/zinc/24/80/49/279248049.db2.gz DXBPKCLQFQTKGO-LXTVHRRPSA-N 2 0 296.455 2.569 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415009688 279255064 /nfs/dbraw/zinc/25/50/64/279255064.db2.gz FOIYRIUHOBQFJE-JFIYKMOQSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000310885479 279256003 /nfs/dbraw/zinc/25/60/03/279256003.db2.gz OMIHLZMNRLNYMK-SNVBAGLBSA-N 2 0 260.303 2.922 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423145288 279256186 /nfs/dbraw/zinc/25/61/86/279256186.db2.gz JYBUYINNPLEBMU-IAQYHMDHSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000049553255 279257742 /nfs/dbraw/zinc/25/77/42/279257742.db2.gz NDBTUEFUCUGWPI-UONOGXRCSA-N 2 0 264.413 2.643 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000222912183 279258021 /nfs/dbraw/zinc/25/80/21/279258021.db2.gz PTJYDQFZRWNSAB-OAHLLOKOSA-N 2 0 275.440 2.585 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423015157 279269210 /nfs/dbraw/zinc/26/92/10/279269210.db2.gz KATQLGQCXFGLRR-KBRIMQKVSA-N 2 0 288.435 2.910 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2ccccc21)C[NH+]1CCCC1 ZINC000062077391 279350964 /nfs/dbraw/zinc/35/09/64/279350964.db2.gz WNBMRPIFFOGAKT-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000340514155 279354960 /nfs/dbraw/zinc/35/49/60/279354960.db2.gz HJIKGECPGYHRMT-BZUAXINKSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000430961442 279393910 /nfs/dbraw/zinc/39/39/10/279393910.db2.gz DGQYCGANZZGYTP-IJEWVQPXSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1CCC[NH2+]C1 ZINC000423206396 279508409 /nfs/dbraw/zinc/50/84/09/279508409.db2.gz BZYPFOASFUINOL-SMLCLMEVSA-N 2 0 280.456 2.559 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C12CCCC2 ZINC000422811419 279875459 /nfs/dbraw/zinc/87/54/59/279875459.db2.gz VWCPYGZBXKPILZ-XUWVNRHRSA-N 2 0 280.456 2.831 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000447568816 279919247 /nfs/dbraw/zinc/91/92/47/279919247.db2.gz MTNLBHOUNCBXIU-CVEARBPZSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CC[NH2+]1 ZINC000335485279 279965156 /nfs/dbraw/zinc/96/51/56/279965156.db2.gz ZCBFFCMBWFGLCD-GUYCJALGSA-N 2 0 258.409 2.664 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346979922 280042969 /nfs/dbraw/zinc/04/29/69/280042969.db2.gz OJMBAEKNEKAPOT-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300831 280123438 /nfs/dbraw/zinc/12/34/38/280123438.db2.gz KTBBKICSXDKAIE-RYUDHWBXSA-N 2 0 280.362 2.884 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000332324698 280144105 /nfs/dbraw/zinc/14/41/05/280144105.db2.gz LCQCGIAYJAERCO-PMPSAXMXSA-N 2 0 268.445 2.567 20 0 CFADRP C[C@]1(C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC[NH2+]C1 ZINC000261681896 280155369 /nfs/dbraw/zinc/15/53/69/280155369.db2.gz AILKCSKSYLLSCA-INIZCTEOSA-N 2 0 256.393 2.533 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCO[C@H]1C1CC1 ZINC000423054569 280158849 /nfs/dbraw/zinc/15/88/49/280158849.db2.gz UZDLUYPAULEZDI-XWTMOSNGSA-N 2 0 286.419 2.926 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414739396 280174576 /nfs/dbraw/zinc/17/45/76/280174576.db2.gz PXFVTVNMVCWIMS-MVJTYMMSSA-N 2 0 270.420 2.648 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCC([NH3+])CC1)c1cccnc1 ZINC000415091071 280253550 /nfs/dbraw/zinc/25/35/50/280253550.db2.gz YRZHUMWCQQGHKL-GPANFISMSA-N 2 0 261.413 2.681 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000181739058 280265047 /nfs/dbraw/zinc/26/50/47/280265047.db2.gz DAXJIOHBACEJEO-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000430709443 280328923 /nfs/dbraw/zinc/32/89/23/280328923.db2.gz NIWAXBXRQKSZJT-MLHJIOFPSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423521526 280335258 /nfs/dbraw/zinc/33/52/58/280335258.db2.gz XAVKKQYXNSHYLU-WHOFXGATSA-N 2 0 265.376 2.635 20 0 CFADRP Cn1nccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000130376118 280702728 /nfs/dbraw/zinc/70/27/28/280702728.db2.gz WKWRUVUABAIBAE-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185516788 280837147 /nfs/dbraw/zinc/83/71/47/280837147.db2.gz VFTSZIJQENEYSY-UHFFFAOYSA-N 2 0 280.387 2.743 20 0 CFADRP Cc1ccsc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185895719 280841112 /nfs/dbraw/zinc/84/11/12/280841112.db2.gz ZXHPOTRTLXDDIW-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000186568644 280848157 /nfs/dbraw/zinc/84/81/57/280848157.db2.gz NXHPJYSLHQOVHI-GJZGRUSLSA-N 2 0 293.455 2.519 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000423517647 280933546 /nfs/dbraw/zinc/93/35/46/280933546.db2.gz BPVQNJUPPFJRMZ-NNOTVXIQSA-N 2 0 262.441 2.918 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C)c2)[C@@H](C)C1 ZINC000246886719 281000224 /nfs/dbraw/zinc/00/02/24/281000224.db2.gz DMIWXYXGOVUWSS-DOTOQJQBSA-N 2 0 260.425 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246889452 281000271 /nfs/dbraw/zinc/00/02/71/281000271.db2.gz FIGYBPYUBRIVRF-LUKYLMHMSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246940828 281000916 /nfs/dbraw/zinc/00/09/16/281000916.db2.gz HQNTYVSDDLOXOB-BDXSIMOUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000247196767 281007238 /nfs/dbraw/zinc/00/72/38/281007238.db2.gz USZRBKFJHVRMGC-DLBZAZTESA-N 2 0 283.504 2.815 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000247929069 281016958 /nfs/dbraw/zinc/01/69/58/281016958.db2.gz BWCWKGNPULCBPI-DOTOQJQBSA-N 2 0 290.451 2.866 20 0 CFADRP CCCC[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000247971805 281017493 /nfs/dbraw/zinc/01/74/93/281017493.db2.gz JMKIJQOCQJJRMQ-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248143605 281018771 /nfs/dbraw/zinc/01/87/71/281018771.db2.gz PXVAZCHGVDOYTA-NJAFHUGGSA-N 2 0 296.499 2.741 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000248582241 281027522 /nfs/dbraw/zinc/02/75/22/281027522.db2.gz FOHQFDDBVHUNAI-GFQSEFKGSA-N 2 0 281.469 2.873 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248604506 281028548 /nfs/dbraw/zinc/02/85/48/281028548.db2.gz VWASZHPQPCLMRG-XOSAIJSUSA-N 2 0 280.456 2.533 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000248660353 281030406 /nfs/dbraw/zinc/03/04/06/281030406.db2.gz VXRQCUXADYUBGU-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000250780766 281070595 /nfs/dbraw/zinc/07/05/95/281070595.db2.gz SEHZHMAWGDOFQW-MLHJIOFPSA-N 2 0 295.515 2.863 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000268737217 281116471 /nfs/dbraw/zinc/11/64/71/281116471.db2.gz WDUOBRVUABIGRB-NJAFHUGGSA-N 2 0 288.435 2.666 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000271179113 281120381 /nfs/dbraw/zinc/12/03/81/281120381.db2.gz JEQQXZKMDSAYLR-CQSZACIVSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000422951748 281134028 /nfs/dbraw/zinc/13/40/28/281134028.db2.gz AAGMVPXVKXUIAX-DOMZBBRYSA-N 2 0 262.397 2.844 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCC12CCC2)N1CC[NH+](C)CC1 ZINC000394728451 281195042 /nfs/dbraw/zinc/19/50/42/281195042.db2.gz GAELKWRPAUVOEW-IRXDYDNUSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000397050341 281200343 /nfs/dbraw/zinc/20/03/43/281200343.db2.gz SKOAPEWCAZLJGH-SDDRHHMPSA-N 2 0 264.335 2.791 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000396989081 281200552 /nfs/dbraw/zinc/20/05/52/281200552.db2.gz BEHYDJSSLAATNE-FIQHERPVSA-N 2 0 266.351 2.893 20 0 CFADRP Brc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cs1 ZINC000398188591 281205286 /nfs/dbraw/zinc/20/52/86/281205286.db2.gz JKJRQRLNPRWSOZ-SECBINFHSA-N 2 0 289.242 2.600 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000420372159 281220330 /nfs/dbraw/zinc/22/03/30/281220330.db2.gz LFZYWJKLROKGGL-CQSZACIVSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422929721 281222316 /nfs/dbraw/zinc/22/23/16/281222316.db2.gz RFMAVLOJFBZJHH-QWRGUYRKSA-N 2 0 298.814 2.717 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422929828 281222508 /nfs/dbraw/zinc/22/25/08/281222508.db2.gz AEGOYDJTRXPLSV-TZMCWYRMSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422929720 281222600 /nfs/dbraw/zinc/22/26/00/281222600.db2.gz RFMAVLOJFBZJHH-MNOVXSKESA-N 2 0 298.814 2.717 20 0 CFADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccc21 ZINC000423009968 281223057 /nfs/dbraw/zinc/22/30/57/281223057.db2.gz FFHFTBXOXHQJCU-XJKSGUPXSA-N 2 0 289.423 2.591 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423011765 281223063 /nfs/dbraw/zinc/22/30/63/281223063.db2.gz JHFNAFMVRWOPSR-OOHWJJMZSA-N 2 0 290.451 2.981 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000423009593 281223185 /nfs/dbraw/zinc/22/31/85/281223185.db2.gz VWMQYKKXPYBFIR-KYOSRNDESA-N 2 0 250.386 2.639 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423011211 281223221 /nfs/dbraw/zinc/22/32/21/281223221.db2.gz AQOYLRXNOBLQDS-ZQIUZPCESA-N 2 0 260.425 2.996 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423011322 281223288 /nfs/dbraw/zinc/22/32/88/281223288.db2.gz IPVMDDBLDVOHKM-CYBMUJFWSA-N 2 0 277.412 2.620 20 0 CFADRP CC1(C)CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423009801 281223291 /nfs/dbraw/zinc/22/32/91/281223291.db2.gz DXVWNOHHPXBEGL-YESZJQIVSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423009800 281223310 /nfs/dbraw/zinc/22/33/10/281223310.db2.gz DXVWNOHHPXBEGL-IXDOHACOSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424374123 281227480 /nfs/dbraw/zinc/22/74/80/281227480.db2.gz YNPUCKHEWMYAOE-HPBDAGMYSA-N 2 0 293.499 2.889 20 0 CFADRP Fc1cnccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000449344373 281241998 /nfs/dbraw/zinc/24/19/98/281241998.db2.gz QKQQAPMEOOOVJJ-UHFFFAOYSA-N 2 0 265.376 2.576 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459446650 281264117 /nfs/dbraw/zinc/26/41/17/281264117.db2.gz IQEWPSRSGOZNTL-SFHVURJKSA-N 2 0 293.499 2.713 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC000302251911 281279325 /nfs/dbraw/zinc/27/93/25/281279325.db2.gz AOLWPBWUDRBZBC-JTQLQIEISA-N 2 0 252.324 2.697 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000516449715 281303705 /nfs/dbraw/zinc/30/37/05/281303705.db2.gz LEDYBWJRMQOUSR-MRXNPFEDSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422908149 281334356 /nfs/dbraw/zinc/33/43/56/281334356.db2.gz YGGYJBFOKURGEF-GOEBONIOSA-N 2 0 258.409 2.744 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527654948 281338184 /nfs/dbraw/zinc/33/81/84/281338184.db2.gz XPHKUZKNXQTOCW-KCXAZCMYSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000335758127 281366995 /nfs/dbraw/zinc/36/69/95/281366995.db2.gz XTZBRUPYHKGEHL-JKSUJKDBSA-N 2 0 258.409 2.784 20 0 CFADRP CC1(C[NH2+][C@H]2CCCOc3ccccc32)CC[NH2+]CC1 ZINC000335026766 281573985 /nfs/dbraw/zinc/57/39/85/281573985.db2.gz ZFGQCGWOFVNWNP-HNNXBMFYSA-N 2 0 274.408 2.880 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296874 288362009 /nfs/dbraw/zinc/36/20/09/288362009.db2.gz VUJZTLIBAZESDY-OIISXLGYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296871 288370744 /nfs/dbraw/zinc/37/07/44/288370744.db2.gz VUJZTLIBAZESDY-DJIMGWMZSA-N 2 0 280.456 2.798 20 0 CFADRP c1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000556935007 281953742 /nfs/dbraw/zinc/95/37/42/281953742.db2.gz KNNWNKPEBBJCHR-CQSZACIVSA-N 2 0 284.407 2.556 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000558698556 281992260 /nfs/dbraw/zinc/99/22/60/281992260.db2.gz KEQQRTMGZHBQQO-ARFHVFGLSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1COc2ccccc2C1)C(C)(C)C ZINC000559767369 282010061 /nfs/dbraw/zinc/01/00/61/282010061.db2.gz RZHQDOGOKVDHLC-WBVHZDCISA-N 2 0 290.451 2.946 20 0 CFADRP CC(C)C[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000559873335 282011837 /nfs/dbraw/zinc/01/18/37/282011837.db2.gz RPGCPJFIAZTOKL-SJORKVTESA-N 2 0 281.488 2.521 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CCc2cccc(C)c2)CC1 ZINC000560113992 282015626 /nfs/dbraw/zinc/01/56/26/282015626.db2.gz YWZOYRUBVZOYTN-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000560545826 282033733 /nfs/dbraw/zinc/03/37/33/282033733.db2.gz XDCURSSEPGSPKE-RCCFBDPRSA-N 2 0 272.436 3.000 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000560583296 282035357 /nfs/dbraw/zinc/03/53/57/282035357.db2.gz XHNADIOIGXJUOQ-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)C(C)C ZINC000159168271 289989289 /nfs/dbraw/zinc/98/92/89/289989289.db2.gz ZXPPAUPCTWIUNJ-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000423108209 288502361 /nfs/dbraw/zinc/50/23/61/288502361.db2.gz FSIPOKWLFBSHEJ-YIDVYQOGSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]C1 ZINC000261759908 289164539 /nfs/dbraw/zinc/16/45/39/289164539.db2.gz LGQDTJVOBUNIDO-JKSUJKDBSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@@]1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]C1 ZINC000261921301 289164570 /nfs/dbraw/zinc/16/45/70/289164570.db2.gz BRBZVHKPMDFOBW-QZTJIDSGSA-N 2 0 293.499 2.574 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000234262824 289170169 /nfs/dbraw/zinc/17/01/69/289170169.db2.gz LYCKWHUFXLJCNC-QGZVFWFLSA-N 2 0 290.451 2.967 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000245543207 289309619 /nfs/dbraw/zinc/30/96/19/289309619.db2.gz AADZXIYQECUDOV-UTSKFRMZSA-N 2 0 292.467 2.797 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000247127636 289309722 /nfs/dbraw/zinc/30/97/22/289309722.db2.gz QCJHHRNFJLNVEX-MJBXVCDLSA-N 2 0 268.445 2.795 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1cccs1 ZINC000422753816 289364656 /nfs/dbraw/zinc/36/46/56/289364656.db2.gz GNHJLKHNDMHVMT-MGPQQGTHSA-N 2 0 281.469 2.600 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000346598348 289689328 /nfs/dbraw/zinc/68/93/28/289689328.db2.gz JBQFPGBESHLUTP-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000251138918 289693094 /nfs/dbraw/zinc/69/30/94/289693094.db2.gz VZFNARHWBBHASO-VSZNYVQBSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000246880698 289695276 /nfs/dbraw/zinc/69/52/76/289695276.db2.gz KISHBGKOOCVZGU-QBPKDAKJSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000449129362 289696298 /nfs/dbraw/zinc/69/62/98/289696298.db2.gz BUMRDTQLQICPKU-XDNAFOTISA-N 2 0 295.515 2.674 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000353517283 289876940 /nfs/dbraw/zinc/87/69/40/289876940.db2.gz JUNNESUYBPYSBZ-HUUCEWRRSA-N 2 0 256.409 2.836 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158897987 289983699 /nfs/dbraw/zinc/98/36/99/289983699.db2.gz LUXCDFXXMXQZGX-SJORKVTESA-N 2 0 282.472 2.804 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccn1 ZINC000159016292 289986098 /nfs/dbraw/zinc/98/60/98/289986098.db2.gz KKAUDTQQPQDIFL-OAHLLOKOSA-N 2 0 261.413 2.854 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)C(C)C ZINC000159168118 289988923 /nfs/dbraw/zinc/98/89/23/289988923.db2.gz ZXPPAUPCTWIUNJ-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1F ZINC000089144740 290004874 /nfs/dbraw/zinc/00/48/74/290004874.db2.gz CDIBEJDTAGTSNA-YWPYICTPSA-N 2 0 250.361 2.994 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000314999849 290019253 /nfs/dbraw/zinc/01/92/53/290019253.db2.gz ZUKNMZSCAPFCEK-GOEBONIOSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)C1CCC(F)(F)CC1 ZINC000423516940 290025042 /nfs/dbraw/zinc/02/50/42/290025042.db2.gz UGBOTVUQWFVUCA-GMXVVIOVSA-N 2 0 260.372 2.917 20 0 CFADRP Fc1c(Cl)cccc1CN1CCN(c2ncc[nH]2)CC1 ZINC000562510316 290049092 /nfs/dbraw/zinc/04/90/92/290049092.db2.gz VMLMCBCALGYKOV-UHFFFAOYSA-N 2 0 294.761 2.524 20 0 CFADRP c1nc(C2CC2)sc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000562748391 290073368 /nfs/dbraw/zinc/07/33/68/290073368.db2.gz PTJYMHCXMVPVOM-GFCCVEGCSA-N 2 0 265.426 2.642 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000562748081 290073441 /nfs/dbraw/zinc/07/34/41/290073441.db2.gz NUZHAVBRTOWOEV-KURKYZTESA-N 2 0 287.451 2.587 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)(C)CC ZINC000562779193 290075363 /nfs/dbraw/zinc/07/53/63/290075363.db2.gz SHTSRUOUXDNIFW-UONOGXRCSA-N 2 0 258.450 2.758 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000562955531 290085119 /nfs/dbraw/zinc/08/51/19/290085119.db2.gz AGKQFLILIBLSLV-XJKSGUPXSA-N 2 0 274.408 2.662 20 0 CFADRP c1c[nH]c([C@H]([NH2+]CC2CC[NH2+]CC2)C2CCCCC2)n1 ZINC000562956006 290085130 /nfs/dbraw/zinc/08/51/30/290085130.db2.gz RWLUYSATRFJSFW-OAHLLOKOSA-N 2 0 276.428 2.620 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000562956149 290085394 /nfs/dbraw/zinc/08/53/94/290085394.db2.gz IZHXWQDUQXZKDV-YOEHRIQHSA-N 2 0 294.414 2.883 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000562958669 290085958 /nfs/dbraw/zinc/08/59/58/290085958.db2.gz KJDNTSKFWVVAJE-OLZOCXBDSA-N 2 0 289.423 2.739 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000562960379 290086570 /nfs/dbraw/zinc/08/65/70/290086570.db2.gz NJSMEWFVQIWKDL-NSHDSACASA-N 2 0 259.397 2.690 20 0 CFADRP FC(F)(F)Cn1ccnc1CSCC1CC[NH2+]CC1 ZINC000563078488 290100910 /nfs/dbraw/zinc/10/09/10/290100910.db2.gz BXWNTUQLGBJGTQ-UHFFFAOYSA-N 2 0 293.358 2.678 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C1 ZINC000563423368 290148494 /nfs/dbraw/zinc/14/84/94/290148494.db2.gz GRQUXYJLRRMKTC-UHIISALHSA-N 2 0 264.344 2.509 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000563422697 290148589 /nfs/dbraw/zinc/14/85/89/290148589.db2.gz AOKLQCMAHSUWDO-HRCADAONSA-N 2 0 267.461 2.501 20 0 CFADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422779264 290174271 /nfs/dbraw/zinc/17/42/71/290174271.db2.gz FPMMZSDQLMOXTP-USXIJHARSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000564201156 290196190 /nfs/dbraw/zinc/19/61/90/290196190.db2.gz WUIRGRDYQDZJIY-AWEZNQCLSA-N 2 0 292.423 2.714 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC(C)(C)C2)CC1 ZINC000564264301 290199977 /nfs/dbraw/zinc/19/99/77/290199977.db2.gz NQUOPLTZSZQSHY-CQSZACIVSA-N 2 0 288.439 2.824 20 0 CFADRP c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)[C@H]21 ZINC000564318647 290202604 /nfs/dbraw/zinc/20/26/04/290202604.db2.gz BUPLZKWFDLZUHN-IPMKNSEASA-N 2 0 282.431 2.789 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000564329446 290203496 /nfs/dbraw/zinc/20/34/96/290203496.db2.gz IDOXRERVXDZCTD-ZDUSSCGKSA-N 2 0 255.365 2.700 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2c1 ZINC000564453517 290209938 /nfs/dbraw/zinc/20/99/38/290209938.db2.gz OPUQGTPPSMUSSF-GHMZBOCLSA-N 2 0 262.353 2.657 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000375896356 290215588 /nfs/dbraw/zinc/21/55/88/290215588.db2.gz WABXRKYZRBILBT-IXDOHACOSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000564822697 290236765 /nfs/dbraw/zinc/23/67/65/290236765.db2.gz ITQLVWBSLOACGH-RBSFLKMASA-N 2 0 268.470 2.594 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973348 290253710 /nfs/dbraw/zinc/25/37/10/290253710.db2.gz BIPKSUJBBXBFET-PBHICJAKSA-N 3 0 275.440 2.546 20 0 CFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)CC12CCCCC2 ZINC000565173253 290276614 /nfs/dbraw/zinc/27/66/14/290276614.db2.gz QPDKEJLNYOXIOT-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000565357454 290296652 /nfs/dbraw/zinc/29/66/52/290296652.db2.gz YVLQZNWSJOBDHD-BBRMVZONSA-N 2 0 274.408 2.755 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000565468388 290303194 /nfs/dbraw/zinc/30/31/94/290303194.db2.gz MIDQLJFZWJCHQO-RANZSIQMSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000565481427 290304080 /nfs/dbraw/zinc/30/40/80/290304080.db2.gz VFHMBVTWYXQUDH-CABCVRRESA-N 2 0 299.418 2.876 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000565539625 290308249 /nfs/dbraw/zinc/30/82/49/290308249.db2.gz XPCJTTPLWWHUMA-MRXNPFEDSA-N 2 0 289.423 2.655 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cn1 ZINC000565548648 290309585 /nfs/dbraw/zinc/30/95/85/290309585.db2.gz LTDIHALYTMUCGI-DLOVCJGASA-N 2 0 298.228 2.765 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000566091017 290347182 /nfs/dbraw/zinc/34/71/82/290347182.db2.gz UREFVZVLKMKCNO-ROUUACIJSA-N 2 0 298.434 2.837 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000566230086 290360334 /nfs/dbraw/zinc/36/03/34/290360334.db2.gz GAWIIYFXHXHINJ-ZIAGYGMSSA-N 2 0 286.423 2.611 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000566230206 290360697 /nfs/dbraw/zinc/36/06/97/290360697.db2.gz RBJFOAPCQIURCZ-QWRGUYRKSA-N 2 0 272.339 2.546 20 0 CFADRP Cc1ccc(C[C@@H]2CCCN(CC(C)(C)[NH3+])C2)cc1 ZINC000566230629 290360984 /nfs/dbraw/zinc/36/09/84/290360984.db2.gz UWGZPEOJATUIEW-INIZCTEOSA-N 2 0 260.425 2.987 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(F)c1 ZINC000566316599 290370793 /nfs/dbraw/zinc/37/07/93/290370793.db2.gz GHDCFHFRCLUTHE-JOCQHMNTSA-N 2 0 280.387 2.689 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000566475964 290391833 /nfs/dbraw/zinc/39/18/33/290391833.db2.gz RLDKCMQADJSERF-PMRDFSHISA-N 2 0 273.424 2.790 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1F ZINC000566481185 290392678 /nfs/dbraw/zinc/39/26/78/290392678.db2.gz AZSLIXMKPVDHCG-HZSPNIEDSA-N 2 0 280.387 2.843 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1nccc2ccccc21 ZINC000566908887 290425786 /nfs/dbraw/zinc/42/57/86/290425786.db2.gz CNYNGNOINYMRKX-ZDUSSCGKSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000567029036 290433506 /nfs/dbraw/zinc/43/35/06/290433506.db2.gz ONCQTCNETIQSNQ-MDASCCDHSA-N 2 0 297.446 2.960 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000567603928 290475902 /nfs/dbraw/zinc/47/59/02/290475902.db2.gz BRABTFBUXUNVRE-QWHCGFSZSA-N 2 0 250.386 2.689 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000568835647 290572064 /nfs/dbraw/zinc/57/20/64/290572064.db2.gz XCGOADXPMGWQHZ-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360498767 293090580 /nfs/dbraw/zinc/09/05/80/293090580.db2.gz DCJOMSHVPMCOMB-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000359620641 293090916 /nfs/dbraw/zinc/09/09/16/293090916.db2.gz RARHFCLYHQGTBS-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000422821150 293096896 /nfs/dbraw/zinc/09/68/96/293096896.db2.gz UOYHHBSJOVRMOL-HZSPNIEDSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000446741328 293147434 /nfs/dbraw/zinc/14/74/34/293147434.db2.gz MDIKXKCXNJPKIP-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000261975156 293189416 /nfs/dbraw/zinc/18/94/16/293189416.db2.gz QRXCOFLPXQSOBG-MRXNPFEDSA-N 2 0 296.842 2.959 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422943662 533693592 /nfs/dbraw/zinc/69/35/92/533693592.db2.gz QXFCMSKDDZJLSI-VNQPRFMTSA-N 2 0 292.398 2.845 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537142 293576639 /nfs/dbraw/zinc/57/66/39/293576639.db2.gz JICUIEBCCDHLLN-RHSMWYFYSA-N 2 0 274.408 2.662 20 0 CFADRP CO[C@H](C)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000182397482 294265655 /nfs/dbraw/zinc/26/56/55/294265655.db2.gz CSPPRUYPIVVGAU-OAHLLOKOSA-N 2 0 291.439 2.655 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474349 294317076 /nfs/dbraw/zinc/31/70/76/294317076.db2.gz OQXPFDCQKCAWEA-LNCBFAARSA-N 2 0 294.414 2.532 20 0 CFADRP FC(F)(F)SCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000231938521 294671829 /nfs/dbraw/zinc/67/18/29/294671829.db2.gz PYVYLOHGTZVTEV-MXWKQRLJSA-N 2 0 282.375 2.750 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000252788464 294674052 /nfs/dbraw/zinc/67/40/52/294674052.db2.gz RATRYSDIKUNLCI-GRYCIOLGSA-N 2 0 264.335 2.839 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCCCC1 ZINC000335007132 295209109 /nfs/dbraw/zinc/20/91/09/295209109.db2.gz FLIOUPIRVMMDJV-CQSZACIVSA-N 2 0 266.429 2.587 20 0 CFADRP [NH3+]C1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000085126227 295212144 /nfs/dbraw/zinc/21/21/44/295212144.db2.gz OUPKZZUVJQWDHD-UHFFFAOYSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+]CCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000414705237 295229487 /nfs/dbraw/zinc/22/94/87/295229487.db2.gz WTMJZGMRQPJXID-UHFFFAOYSA-N 2 0 274.408 2.715 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000090339905 295237452 /nfs/dbraw/zinc/23/74/52/295237452.db2.gz XTYWLSFMMDFSKD-JGGQBBKZSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1 ZINC000420305625 295240989 /nfs/dbraw/zinc/24/09/89/295240989.db2.gz PRAANJHRWPYKEM-UMVBOHGHSA-N 2 0 294.464 2.563 20 0 CFADRP COc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C(C)C)cc1 ZINC000422789964 295244571 /nfs/dbraw/zinc/24/45/71/295244571.db2.gz STQDVAJTIPFKGP-MRXNPFEDSA-N 2 0 262.397 2.734 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422815755 295273471 /nfs/dbraw/zinc/27/34/71/295273471.db2.gz YIOPVOMLISVHPC-GDBMZVCRSA-N 2 0 258.409 2.825 20 0 CFADRP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)cc1 ZINC000262107544 295277419 /nfs/dbraw/zinc/27/74/19/295277419.db2.gz WBUKWWQOFGUFFK-ILXRZTDVSA-N 2 0 298.390 2.789 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000332300160 295313807 /nfs/dbraw/zinc/31/38/07/295313807.db2.gz NCJGXGJXGNXERO-XUJVJEKNSA-N 2 0 260.381 2.629 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423389362 297107757 /nfs/dbraw/zinc/10/77/57/297107757.db2.gz JKBIIXFUQTUKQM-UHOFOFEASA-N 2 0 259.397 2.510 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000423015293 298392890 /nfs/dbraw/zinc/39/28/90/298392890.db2.gz QRAYJKXNCGORPP-PVAVHDDUSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000423054486 298783802 /nfs/dbraw/zinc/78/38/02/298783802.db2.gz UQVOZRZSYJOWBB-WRWGMCAJSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000423025784 298884924 /nfs/dbraw/zinc/88/49/24/298884924.db2.gz MLYVJTTXOQKSIT-LSDHHAIUSA-N 2 0 276.424 2.841 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000423162044 298983349 /nfs/dbraw/zinc/98/33/49/298983349.db2.gz KCQFXNLTGLEKDJ-LJISPDSOSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000423443885 298992435 /nfs/dbraw/zinc/99/24/35/298992435.db2.gz KXHNEGCNMVYQPM-LWWSYDQCSA-N 2 0 250.361 2.787 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)c2sccc21 ZINC000453222899 300072864 /nfs/dbraw/zinc/07/28/64/300072864.db2.gz OLGSSQZVGYFGIK-JSGCOSHPSA-N 2 0 282.453 2.854 20 0 CFADRP C[C@H]1C[N@H+](CCC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000376863189 300253759 /nfs/dbraw/zinc/25/37/59/300253759.db2.gz AMWVQGJGJNGCRG-HNNXBMFYSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423242043 301891793 /nfs/dbraw/zinc/89/17/93/301891793.db2.gz DWGJLVXXZAWOEG-ZBFHGGJFSA-N 2 0 274.408 2.798 20 0 CFADRP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422998573 302108317 /nfs/dbraw/zinc/10/83/17/302108317.db2.gz QTASGFPMMOOYOX-QGPMSJSTSA-N 2 0 288.435 2.883 20 0 CFADRP Cc1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192611564 302386731 /nfs/dbraw/zinc/38/67/31/302386731.db2.gz RTMZZFANGQJRAH-OAHLLOKOSA-N 2 0 259.397 2.845 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422749091 528914119 /nfs/dbraw/zinc/91/41/19/528914119.db2.gz XMLGVWDYGSICEJ-ZQDZILKHSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000422908261 302588282 /nfs/dbraw/zinc/58/82/82/302588282.db2.gz CXTMGWONGJEBEJ-CYBMUJFWSA-N 2 0 298.434 2.766 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335213464 303132690 /nfs/dbraw/zinc/13/26/90/303132690.db2.gz BHOGZFZUNCCAAY-DZGCQCFKSA-N 2 0 278.371 2.771 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000335499447 303133196 /nfs/dbraw/zinc/13/31/96/303133196.db2.gz FNZVKORFHPPCKU-HNNXBMFYSA-N 2 0 276.355 2.549 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000423335745 303375649 /nfs/dbraw/zinc/37/56/49/303375649.db2.gz UELVFJANRCAIGV-HOTGVXAUSA-N 2 0 280.387 2.764 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423119118 303399834 /nfs/dbraw/zinc/39/98/34/303399834.db2.gz DGXIABSLQZXAME-XEZPLFJOSA-N 2 0 296.842 2.523 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423148861 303402389 /nfs/dbraw/zinc/40/23/89/303402389.db2.gz WTRPTYWLIOMZKX-GZBFAFLISA-N 2 0 276.449 2.983 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000332303024 303482102 /nfs/dbraw/zinc/48/21/02/303482102.db2.gz LNZOYMZSVQXWSB-LSDHHAIUSA-N 2 0 268.445 2.569 20 0 CFADRP Clc1ccc(CCN[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000716248090 782066248 /nfs/dbraw/zinc/06/62/48/782066248.db2.gz QBZWBEGGMKKVPD-LLVKDONJSA-N 2 0 273.207 2.878 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414858360 533697242 /nfs/dbraw/zinc/69/72/42/533697242.db2.gz ROLWUBJNXJWUKH-YPMHNXCESA-N 2 0 282.815 2.826 20 0 CFADRP COc1cc(C)nc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414801298 533700532 /nfs/dbraw/zinc/70/05/32/533700532.db2.gz AAMLCPSKNJPFGH-ZDUSSCGKSA-N 2 0 285.391 2.708 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1Cl ZINC000422946162 533701886 /nfs/dbraw/zinc/70/18/86/533701886.db2.gz WACRUFRUAZCSLF-FZMZJTMJSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H](CN[C@H](C)c1cscn1)C[NH+]1CCCC1 ZINC000162371451 322363726 /nfs/dbraw/zinc/36/37/26/322363726.db2.gz HBMGWBJPXLDDPV-VXGBXAGGSA-N 2 0 253.415 2.526 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000164620821 322383526 /nfs/dbraw/zinc/38/35/26/322383526.db2.gz RXOPQYWUWDCLQS-QZTJIDSGSA-N 3 0 295.515 2.963 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000166141615 322386509 /nfs/dbraw/zinc/38/65/09/322386509.db2.gz XVFNIBVENVOAFX-SFHVURJKSA-N 2 0 290.451 2.930 20 0 CFADRP Fc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000570663896 322544569 /nfs/dbraw/zinc/54/45/69/322544569.db2.gz PTDZPNLPZGVCCU-CYBMUJFWSA-N 2 0 254.324 2.587 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000571176383 322573551 /nfs/dbraw/zinc/57/35/51/322573551.db2.gz MHXNFCPAHHPFTN-KBPBESRZSA-N 2 0 269.392 2.713 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCOCC1 ZINC000571265204 322576816 /nfs/dbraw/zinc/57/68/16/322576816.db2.gz UCFLAMYSLCGBRX-MRXNPFEDSA-N 2 0 273.380 2.629 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000572900396 322636274 /nfs/dbraw/zinc/63/62/74/322636274.db2.gz CASVFMAQFKWXMS-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000572951336 322637983 /nfs/dbraw/zinc/63/79/83/322637983.db2.gz DZLLDQWJWCNCHH-QRTARXTBSA-N 2 0 290.476 2.995 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000573020178 322641228 /nfs/dbraw/zinc/64/12/28/322641228.db2.gz BXUSEQZZWGHUPT-CGEFAEBTSA-N 2 0 274.408 2.799 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000573021614 322641716 /nfs/dbraw/zinc/64/17/16/322641716.db2.gz FXEZVIIEFWOMCQ-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000573593174 322662102 /nfs/dbraw/zinc/66/21/02/322662102.db2.gz CYJODCUYXGBWMI-KFWWJZLASA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000574269567 322686840 /nfs/dbraw/zinc/68/68/40/322686840.db2.gz BVRJELCBWCEDQB-LBPRGKRZSA-N 2 0 295.386 2.604 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1(C)C ZINC000574452743 322693127 /nfs/dbraw/zinc/69/31/27/322693127.db2.gz ONMZIPSJWBNSIB-CVEARBPZSA-N 2 0 276.424 2.827 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000574501388 322695011 /nfs/dbraw/zinc/69/50/11/322695011.db2.gz CQYQYKDFXYXHNI-GXFFZTMASA-N 2 0 254.324 2.572 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000574982553 322713412 /nfs/dbraw/zinc/71/34/12/322713412.db2.gz BPALDEOSKQANTI-JCYILVPMSA-N 2 0 282.472 2.638 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C1(CC)CC ZINC000181392741 323810177 /nfs/dbraw/zinc/81/01/77/323810177.db2.gz FJITVZOCHHRDIN-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@H](OCC)C2(C)C)CC1 ZINC000181695778 323821134 /nfs/dbraw/zinc/82/11/34/323821134.db2.gz WUJVDTBZLXLUNI-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@@H](C)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000187826717 324002674 /nfs/dbraw/zinc/00/26/74/324002674.db2.gz AZJPUGWJWPSXOO-HNNXBMFYSA-N 2 0 256.434 2.515 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000191805164 324054756 /nfs/dbraw/zinc/05/47/56/324054756.db2.gz MNEZJLZOJPHXOL-SFHVURJKSA-N 2 0 290.451 2.700 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000576598114 324636589 /nfs/dbraw/zinc/63/65/89/324636589.db2.gz FWAANSDXCSLGCH-IRXDYDNUSA-N 3 0 281.488 2.604 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000577351857 324726393 /nfs/dbraw/zinc/72/63/93/324726393.db2.gz AWTSHUWLYYZRFR-AWEZNQCLSA-N 2 0 284.407 2.751 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577730906 324772845 /nfs/dbraw/zinc/77/28/45/324772845.db2.gz CDHYXAOINMWYBB-KRWDZBQOSA-N 2 0 282.387 2.931 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000578231145 324830719 /nfs/dbraw/zinc/83/07/19/324830719.db2.gz KAWAGAIGFPDDFX-KRWDZBQOSA-N 2 0 286.419 2.972 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000578347455 324842737 /nfs/dbraw/zinc/84/27/37/324842737.db2.gz UPLLUGGBURMJJE-LLVKDONJSA-N 2 0 272.339 2.938 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000579795242 324979752 /nfs/dbraw/zinc/97/97/52/324979752.db2.gz KLRFAYDQAPQXAO-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP CN(CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000580068607 325004128 /nfs/dbraw/zinc/00/41/28/325004128.db2.gz OHDZVQXXMBHYFB-QGZVFWFLSA-N 2 0 289.467 2.929 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@H]1OC ZINC000580075349 325004707 /nfs/dbraw/zinc/00/47/07/325004707.db2.gz GKBKIGGHGQNVQJ-HZPDHXFCSA-N 2 0 276.424 2.829 20 0 CFADRP COCC[NH2+]C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000580439449 325036687 /nfs/dbraw/zinc/03/66/87/325036687.db2.gz GBGDYUHXSCHANR-GOSISDBHSA-N 2 0 288.435 2.764 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cn2ccccc2n1 ZINC000580784679 325064520 /nfs/dbraw/zinc/06/45/20/325064520.db2.gz ZGLKEGRQCYYVAJ-CABCVRRESA-N 2 0 286.423 2.717 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000580946205 325076738 /nfs/dbraw/zinc/07/67/38/325076738.db2.gz KRDUPXUQQOCZGE-CQSZACIVSA-N 2 0 291.439 2.610 20 0 CFADRP CO[C@H](C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581194898 325099801 /nfs/dbraw/zinc/09/98/01/325099801.db2.gz JHFOPFXGXVWBIR-HIFRSBDPSA-N 2 0 296.480 2.845 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000581200976 325100190 /nfs/dbraw/zinc/10/01/90/325100190.db2.gz WKEWRAAIQNOVDV-UONOGXRCSA-N 2 0 250.361 2.536 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581200015 325100621 /nfs/dbraw/zinc/10/06/21/325100621.db2.gz LIDACASHMFKQBM-RBSFLKMASA-N 2 0 262.397 2.622 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000581363983 325114513 /nfs/dbraw/zinc/11/45/13/325114513.db2.gz DFWASXSMYGUTND-GFCCVEGCSA-N 2 0 254.805 2.860 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000581601811 325135661 /nfs/dbraw/zinc/13/56/61/325135661.db2.gz BTIKYPOMYKQVDJ-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP CCn1c(C[NH2+][C@@H](C)CCCC[NH3+])nc2ccccc21 ZINC000581931366 325160511 /nfs/dbraw/zinc/16/05/11/325160511.db2.gz QNXYMEOOPRUDHW-ZDUSSCGKSA-N 2 0 274.412 2.663 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000581982317 325165077 /nfs/dbraw/zinc/16/50/77/325165077.db2.gz UWMYUMWKSUZUDA-KRWDZBQOSA-N 2 0 286.419 2.924 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSCc1ccccc1 ZINC000582414367 325203049 /nfs/dbraw/zinc/20/30/49/325203049.db2.gz CDTCYWJBHIEGSU-QWHCGFSZSA-N 2 0 252.427 2.635 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000582526245 325211781 /nfs/dbraw/zinc/21/17/81/325211781.db2.gz GZGHWOCPCKVWIM-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1ccc([C@@H]2CC[N@@H+](CCc3cncn3C)C2)cc1 ZINC000582890865 325242993 /nfs/dbraw/zinc/24/29/93/325242993.db2.gz ZSDQOZJDMPYUAD-MRXNPFEDSA-N 2 0 269.392 2.761 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)ccn1 ZINC000582914205 325245190 /nfs/dbraw/zinc/24/51/90/325245190.db2.gz DGDPPZSMQWVCCW-ZDUSSCGKSA-N 2 0 277.412 2.615 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000583392126 325284289 /nfs/dbraw/zinc/28/42/89/325284289.db2.gz VKTJWOGNYKIUQX-DMRZNYOFSA-N 2 0 262.372 2.931 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000583434777 325286625 /nfs/dbraw/zinc/28/66/25/325286625.db2.gz WQAKVFOHSJTGFP-IPYPFGDCSA-N 2 0 277.412 2.749 20 0 CFADRP Cc1cnccc1CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000583627799 325299807 /nfs/dbraw/zinc/29/98/07/325299807.db2.gz BDBQQFSAZYLTCQ-UHFFFAOYSA-N 2 0 275.440 2.737 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCCCCOc2ccccc2)C1 ZINC000583630795 325300239 /nfs/dbraw/zinc/30/02/39/325300239.db2.gz UMAPUDBRYFLNMY-MRXNPFEDSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC(C)(C)C1 ZINC000583928884 325319423 /nfs/dbraw/zinc/31/94/23/325319423.db2.gz WUKWEVYRVGSXBO-CJNGLKHVSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583950594 325321062 /nfs/dbraw/zinc/32/10/62/325321062.db2.gz KCVBNWOITJUULQ-WCXIOVBPSA-N 2 0 282.472 2.900 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422718741 533711154 /nfs/dbraw/zinc/71/11/54/533711154.db2.gz XMBNGCBLCDDCQI-DNOWBOINSA-N 2 0 262.397 2.863 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000360006572 500683997 /nfs/dbraw/zinc/68/39/97/500683997.db2.gz KAMLCPXYHFCADJ-ZDUSSCGKSA-N 2 0 299.846 2.744 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422890850 500895503 /nfs/dbraw/zinc/89/55/03/500895503.db2.gz UBFLLNSXRFVGAC-CWQOZTLDSA-N 2 0 293.499 2.760 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)[C@@H](C)C1 ZINC000305768423 521721065 /nfs/dbraw/zinc/72/10/65/521721065.db2.gz KKIGWAVIDBGXQL-LUKYLMHMSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000164202770 521976018 /nfs/dbraw/zinc/97/60/18/521976018.db2.gz KWPPYCZFNYAFTN-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)CC(C)(C)C[NH3+])cc1F ZINC000414653703 533744498 /nfs/dbraw/zinc/74/44/98/533744498.db2.gz BIRRVSOKBDTHJX-CYBMUJFWSA-N 2 0 296.430 2.930 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)c1OC ZINC000423272279 533759503 /nfs/dbraw/zinc/75/95/03/533759503.db2.gz JVXJXHAVOJNJIY-DOMZBBRYSA-N 2 0 294.439 2.516 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000414342451 533756116 /nfs/dbraw/zinc/75/61/16/533756116.db2.gz PPRUWYUEIQXXKK-IKICRFKJSA-N 2 0 288.435 2.729 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000414786401 533787055 /nfs/dbraw/zinc/78/70/55/533787055.db2.gz BAJRXZUHDIUHMB-WFASDCNBSA-N 2 0 282.403 2.586 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414857036 533813417 /nfs/dbraw/zinc/81/34/17/533813417.db2.gz OSJXDESLFOFFOH-JKSUJKDBSA-N 2 0 287.451 2.633 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414828120 533828159 /nfs/dbraw/zinc/82/81/59/533828159.db2.gz IKSZEBXIIBDYKI-DOTOQJQBSA-N 2 0 260.425 2.905 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422850702 533837269 /nfs/dbraw/zinc/83/72/69/533837269.db2.gz DHLFEMPERBLBAV-WDEREUQCSA-N 2 0 270.417 2.904 20 0 CFADRP C[C@H]([NH2+]CC1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423103921 533837898 /nfs/dbraw/zinc/83/78/98/533837898.db2.gz AWVBXCMVRQNXNV-DXCHVLGVSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C[C@H]2CCCO2)C2CCCC2)CC[NH2+]1 ZINC000414709363 533839865 /nfs/dbraw/zinc/83/98/65/533839865.db2.gz QZUIOJUUGBXKLV-BFYDXBDKSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CSc2ccccc21 ZINC000423142620 533846514 /nfs/dbraw/zinc/84/65/14/533846514.db2.gz AUTYINGLQJMQRC-OLZOCXBDSA-N 2 0 264.438 2.983 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423155470 533846614 /nfs/dbraw/zinc/84/66/14/533846614.db2.gz LEJLXFBIJJWGHA-CYBMUJFWSA-N 2 0 290.386 2.619 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(F)cc(F)cc1F ZINC000423132646 533847082 /nfs/dbraw/zinc/84/70/82/533847082.db2.gz JQTPPBIYNHEGQX-SECBINFHSA-N 2 0 260.303 2.711 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422732749 533847103 /nfs/dbraw/zinc/84/71/03/533847103.db2.gz QHIPGBBIQVRUBP-CJNGLKHVSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@H]([NH2+]CCCCOCCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422719609 533844180 /nfs/dbraw/zinc/84/41/80/533844180.db2.gz LYNYAXMZOKICJC-FUHWJXTLSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)COc1cccc(F)c1 ZINC000422738814 533850744 /nfs/dbraw/zinc/85/07/44/533850744.db2.gz JZUJRHFPTULLDL-CHWSQXEVSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422807344 533849050 /nfs/dbraw/zinc/84/90/50/533849050.db2.gz MJNXFJWIDRCROT-MRXNPFEDSA-N 3 0 289.467 2.890 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831406 533868600 /nfs/dbraw/zinc/86/86/00/533868600.db2.gz SQDKYSMYLYOWDE-CQSZACIVSA-N 3 0 295.496 2.677 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000422833369 533867273 /nfs/dbraw/zinc/86/72/73/533867273.db2.gz GOSQZMKLUQVJEW-NHYWBVRUSA-N 2 0 275.371 2.580 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1F ZINC000422853654 533867661 /nfs/dbraw/zinc/86/76/61/533867661.db2.gz SMGOINSBDAESGL-GFCCVEGCSA-N 2 0 252.377 2.820 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)N[C@H](C)c1ccccc1 ZINC000422725326 533867956 /nfs/dbraw/zinc/86/79/56/533867956.db2.gz BCHPDBJSGANHAN-HUUCEWRRSA-N 2 0 277.456 2.833 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422892813 533867986 /nfs/dbraw/zinc/86/79/86/533867986.db2.gz NXBAMHLPAKQFEP-LLVKDONJSA-N 2 0 290.329 2.845 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[NH2+]1 ZINC000422768357 533868061 /nfs/dbraw/zinc/86/80/61/533868061.db2.gz ULDHXVJKPBNRJP-LRDDRELGSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422700204 533868500 /nfs/dbraw/zinc/86/85/00/533868500.db2.gz BRVRXDDOQWPBDE-CQSZACIVSA-N 2 0 293.430 2.507 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000415018201 533871202 /nfs/dbraw/zinc/87/12/02/533871202.db2.gz GPSRNMJYQICOBC-CYBMUJFWSA-N 2 0 278.444 2.685 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000422814946 533871217 /nfs/dbraw/zinc/87/12/17/533871217.db2.gz WNRKHLXLICKDRU-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000422810340 533871222 /nfs/dbraw/zinc/87/12/22/533871222.db2.gz ROWIFOHJZNAWPA-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000414111029 533871393 /nfs/dbraw/zinc/87/13/93/533871393.db2.gz IRDXKSOYPHZWII-RVKKMQEKSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc(-c2ccncc2)cs1 ZINC000422915251 533873334 /nfs/dbraw/zinc/87/33/34/533873334.db2.gz XUKKZWCGUNTHFJ-VXGBXAGGSA-N 2 0 290.436 2.983 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422758754 533873526 /nfs/dbraw/zinc/87/35/26/533873526.db2.gz JWQDUXYRUHFNLI-HIFRSBDPSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000422955225 533873536 /nfs/dbraw/zinc/87/35/36/533873536.db2.gz IZBPRXHIADCAHT-RKDXNWHRSA-N 2 0 260.303 2.882 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422832281 533870121 /nfs/dbraw/zinc/87/01/21/533870121.db2.gz FMRKRKHRCKSITC-IUODEOHRSA-N 2 0 264.438 2.734 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423128141 533870348 /nfs/dbraw/zinc/87/03/48/533870348.db2.gz KHBLZTNULDVQBG-LLVKDONJSA-N 2 0 250.361 2.920 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000422890997 533874142 /nfs/dbraw/zinc/87/41/42/533874142.db2.gz UGWQZOBQXGYDEF-IUODEOHRSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423132153 533902017 /nfs/dbraw/zinc/90/20/17/533902017.db2.gz OSCAXARMMBNXTN-XKQJLSEDSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1C[C@H]1C ZINC000414080036 533931576 /nfs/dbraw/zinc/93/15/76/533931576.db2.gz UFGPWRXIPRKEOL-KEYYUXOJSA-N 2 0 276.424 2.761 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423262261 533942558 /nfs/dbraw/zinc/94/25/58/533942558.db2.gz URTJUTFWTNYCHJ-UKRRQHHQSA-N 2 0 278.444 2.813 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423221278 533942986 /nfs/dbraw/zinc/94/29/86/533942986.db2.gz ZPTDACJHBCOCFM-TZMCWYRMSA-N 2 0 278.444 2.597 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH3+])cnn1-c1ccc(F)cc1 ZINC000423317278 533944790 /nfs/dbraw/zinc/94/47/90/533944790.db2.gz APHBFTASOKDFOD-GFCCVEGCSA-N 2 0 290.386 2.709 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423206896 533955365 /nfs/dbraw/zinc/95/53/65/533955365.db2.gz CLVNHVTXBHCHQI-VNHYZAJKSA-N 2 0 292.471 2.985 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422759990 533958684 /nfs/dbraw/zinc/95/86/84/533958684.db2.gz LITZAVOGQYRUHO-BEUHCMRWSA-N 2 0 254.443 2.533 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422747390 533977260 /nfs/dbraw/zinc/97/72/60/533977260.db2.gz QBWXYIYHLRLGPU-NWANDNLSSA-N 2 0 288.391 2.583 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000425337914 533986242 /nfs/dbraw/zinc/98/62/42/533986242.db2.gz ALXFWWMGCHNCMB-UONOGXRCSA-N 2 0 258.475 2.979 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414911618 533989202 /nfs/dbraw/zinc/98/92/02/533989202.db2.gz WYFMPVHWPNASAM-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000425344005 533994436 /nfs/dbraw/zinc/99/44/36/533994436.db2.gz INORYCUZJIIHOD-YNEHKIRRSA-N 2 0 258.475 2.836 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414903450 534001465 /nfs/dbraw/zinc/00/14/65/534001465.db2.gz JWNOPXLIKJEEOV-TZMCWYRMSA-N 2 0 252.427 2.801 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000425365874 534003262 /nfs/dbraw/zinc/00/32/62/534003262.db2.gz YUMKBAFZHJHAAK-HUUCEWRRSA-N 2 0 282.428 2.871 20 0 CFADRP COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423164425 534013528 /nfs/dbraw/zinc/01/35/28/534013528.db2.gz OOFNLZIRQBDAKV-QWHCGFSZSA-N 2 0 282.403 2.872 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423159560 534015904 /nfs/dbraw/zinc/01/59/04/534015904.db2.gz FXOKYFXZPZFPDD-RVSPLBMKSA-N 2 0 294.414 2.872 20 0 CFADRP COc1ccccc1CCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420346321 534026775 /nfs/dbraw/zinc/02/67/75/534026775.db2.gz WIFBNCFPSARUJL-UHFFFAOYSA-N 2 0 288.435 2.703 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422769570 534047296 /nfs/dbraw/zinc/04/72/96/534047296.db2.gz VHMVZHIUGGOYHB-ZDUSSCGKSA-N 2 0 299.418 2.751 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414883430 534048758 /nfs/dbraw/zinc/04/87/58/534048758.db2.gz UWLJQXUVDPZRHA-SNVBAGLBSA-N 2 0 263.772 2.573 20 0 CFADRP C[C@@H](C[NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000414828235 534059777 /nfs/dbraw/zinc/05/97/77/534059777.db2.gz IMRKMUDATNISIK-STQMWFEESA-N 2 0 250.361 2.518 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000414906888 534060235 /nfs/dbraw/zinc/06/02/35/534060235.db2.gz PVVJQXBNFVPQAP-CYBMUJFWSA-N 2 0 297.240 2.989 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422839001 534069570 /nfs/dbraw/zinc/06/95/70/534069570.db2.gz PKXICYLUIBLJMR-WBMJQRKESA-N 2 0 289.398 2.827 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422920663 534071327 /nfs/dbraw/zinc/07/13/27/534071327.db2.gz MNMWBMKSIDJNFU-IWCQGFGOSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732042 534071359 /nfs/dbraw/zinc/07/13/59/534071359.db2.gz NDHZIWBSWDFJHY-CZUORRHYSA-N 2 0 271.408 2.688 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422935930 534072467 /nfs/dbraw/zinc/07/24/67/534072467.db2.gz BCGGRURSXUENCO-DOMZBBRYSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000422798593 534076586 /nfs/dbraw/zinc/07/65/86/534076586.db2.gz RXLVLLGWJVWSRX-DCAQKATOSA-N 2 0 256.340 2.784 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(OC(C)C)c1 ZINC000422872555 534077039 /nfs/dbraw/zinc/07/70/39/534077039.db2.gz HNRONXWSDJTKCD-AWEZNQCLSA-N 2 0 264.413 2.999 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(OC(C)C)c1 ZINC000422878641 534078433 /nfs/dbraw/zinc/07/84/33/534078433.db2.gz TZPPWAPGNIMVHL-KGLIPLIRSA-N 2 0 264.413 2.998 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000425359375 534112901 /nfs/dbraw/zinc/11/29/01/534112901.db2.gz PTZBIBVHMHVWDW-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000425338813 534115866 /nfs/dbraw/zinc/11/58/66/534115866.db2.gz QIKJKPNNWSIYDW-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843100 534117906 /nfs/dbraw/zinc/11/79/06/534117906.db2.gz PPQMBEQAWSMXIK-LSDHHAIUSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@]1(C[NH2+]CCSCc2ccccc2)CCC[NH2+]C1 ZINC000414917903 534176247 /nfs/dbraw/zinc/17/62/47/534176247.db2.gz SJLLQCXERSLCAM-INIZCTEOSA-N 2 0 278.465 2.899 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770725 534176644 /nfs/dbraw/zinc/17/66/44/534176644.db2.gz XBJABHZNBHIFQN-YDHLFZDLSA-N 2 0 279.403 2.510 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000450400440 535965769 /nfs/dbraw/zinc/96/57/69/535965769.db2.gz GSLFVKNLBGFEFS-CQSZACIVSA-N 2 0 266.816 2.766 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000415009519 534203745 /nfs/dbraw/zinc/20/37/45/534203745.db2.gz UEZQCVLGXJMGBK-GXTWGEPZSA-N 2 0 288.395 2.585 20 0 CFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422880360 534219236 /nfs/dbraw/zinc/21/92/36/534219236.db2.gz WVBZULJBZGVMBA-UWVGGRQHSA-N 2 0 288.338 2.512 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423282091 534338243 /nfs/dbraw/zinc/33/82/43/534338243.db2.gz UVUMNLKBFIBHKF-GVXVVHGQSA-N 2 0 296.436 2.703 20 0 CFADRP Cc1ccn2c(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cnc2c1 ZINC000414801824 534348576 /nfs/dbraw/zinc/34/85/76/534348576.db2.gz AQFFKQNTIIDDED-AWEZNQCLSA-N 2 0 294.402 2.952 20 0 CFADRP C(C[N@@H+]1CCSC2(CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000334786556 518392028 /nfs/dbraw/zinc/39/20/28/518392028.db2.gz VQKJRUMJWCJOCP-AWEZNQCLSA-N 2 0 268.470 2.738 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000422750851 534350894 /nfs/dbraw/zinc/35/08/94/534350894.db2.gz DRNNAWDDRFPHOO-CQSZACIVSA-N 2 0 292.471 2.618 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000422760040 534350955 /nfs/dbraw/zinc/35/09/55/534350955.db2.gz PVHFMPWFESNZAJ-CYBMUJFWSA-N 2 0 285.391 2.578 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423118435 534377658 /nfs/dbraw/zinc/37/76/58/534377658.db2.gz AOHOCLDUEBJUDT-RKJHCZSYSA-N 2 0 276.346 2.838 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836261 518875095 /nfs/dbraw/zinc/87/50/95/518875095.db2.gz FHWVIVIFDRRUHY-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)(CCO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305129693 519223110 /nfs/dbraw/zinc/22/31/10/519223110.db2.gz JMKTVDASISFEMI-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000335043125 519301663 /nfs/dbraw/zinc/30/16/63/519301663.db2.gz NTGWJIXXSNFEBL-CYBMUJFWSA-N 2 0 297.240 2.633 20 0 CFADRP Fc1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415011651 534437980 /nfs/dbraw/zinc/43/79/80/534437980.db2.gz RBQOPXDJQAPCTB-GXTWGEPZSA-N 2 0 282.790 2.957 20 0 CFADRP Fc1c(Cl)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824162 534438855 /nfs/dbraw/zinc/43/88/55/534438855.db2.gz AJHVDCZIXQGUFU-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCOC[C@@H]1C)C(C)C ZINC000192613587 519643715 /nfs/dbraw/zinc/64/37/15/519643715.db2.gz FPUSKEKMDTYBOP-LSDHHAIUSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[N@@H+](CCc1nccs1)CC[C@@H]1CCC[NH+]1C ZINC000163418599 519651376 /nfs/dbraw/zinc/65/13/76/519651376.db2.gz BQZLOHMOXJLOGW-AWEZNQCLSA-N 2 0 281.469 2.880 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCc2ccncc2)CC1 ZINC000360437639 519670436 /nfs/dbraw/zinc/67/04/36/519670436.db2.gz NLIITLPBDRANNK-UHFFFAOYSA-N 2 0 275.440 2.819 20 0 CFADRP CC(C)CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000338690967 519691772 /nfs/dbraw/zinc/69/17/72/519691772.db2.gz WFJQLBXUYDRJPK-SFHVURJKSA-N 2 0 295.515 2.817 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414841376 534445051 /nfs/dbraw/zinc/44/50/51/534445051.db2.gz NTTYQGHTEUSCDR-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000164890278 519805105 /nfs/dbraw/zinc/80/51/05/519805105.db2.gz WCPLRRNZDFCACC-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCOCc1ccccc1 ZINC000310026899 519817681 /nfs/dbraw/zinc/81/76/81/519817681.db2.gz VRBURLHZQHLCBL-QGZVFWFLSA-N 2 0 278.440 2.899 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCCS2)CC1 ZINC000158032606 519846680 /nfs/dbraw/zinc/84/66/80/519846680.db2.gz BROXQEJQAGCDEI-CQSZACIVSA-N 2 0 256.459 2.736 20 0 CFADRP CCCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000077278864 520076308 /nfs/dbraw/zinc/07/63/08/520076308.db2.gz CBSXUTGJCBDCOY-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc2n1 ZINC000097861557 534469018 /nfs/dbraw/zinc/46/90/18/534469018.db2.gz AJIIFNPWHMRMBW-ZDUSSCGKSA-N 2 0 271.408 2.973 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000165946050 520292730 /nfs/dbraw/zinc/29/27/30/520292730.db2.gz WKEZKOARJUVDOZ-MAUKXSAKSA-N 2 0 290.451 2.929 20 0 CFADRP c1ccc(N2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414837629 534492447 /nfs/dbraw/zinc/49/24/47/534492447.db2.gz KPPFJWGKFINUCB-MRXNPFEDSA-N 2 0 287.451 2.635 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000334841451 520498789 /nfs/dbraw/zinc/49/87/89/520498789.db2.gz IJAAYZYMNSSADP-HNNXBMFYSA-N 2 0 258.365 2.911 20 0 CFADRP CC1(C)C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C(C)(C)O1 ZINC000334872609 520556360 /nfs/dbraw/zinc/55/63/60/520556360.db2.gz YCMMNECNBAUMPF-AWEZNQCLSA-N 2 0 273.380 2.770 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423255085 534501089 /nfs/dbraw/zinc/50/10/89/534501089.db2.gz ASEHMGQBRLDBGU-YJBOKZPZSA-N 2 0 296.418 2.545 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328469885 520607659 /nfs/dbraw/zinc/60/76/59/520607659.db2.gz ZDKYSRLGBBHXGE-IRXDYDNUSA-N 2 0 288.435 2.666 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000360994825 520624641 /nfs/dbraw/zinc/62/46/41/520624641.db2.gz GKRADBBZMQSXHK-LSDHHAIUSA-N 2 0 270.461 2.900 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC000230937802 520637228 /nfs/dbraw/zinc/63/72/28/520637228.db2.gz XTDQMEMRSKLCGC-ZDUSSCGKSA-N 2 0 267.392 2.821 20 0 CFADRP c1cncc(-c2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2)c1 ZINC000414822793 534507468 /nfs/dbraw/zinc/50/74/68/534507468.db2.gz COXAIYYOIMPANE-INIZCTEOSA-N 2 0 281.403 2.838 20 0 CFADRP CC1(C[NH+]2CCOCC2)CC[NH+](CC2CCCC2)CC1 ZINC000362005167 520700998 /nfs/dbraw/zinc/70/09/98/520700998.db2.gz SREGMERTFDOEND-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCCn2ccnc2C)C1 ZINC000162074695 520726907 /nfs/dbraw/zinc/72/69/07/520726907.db2.gz LMFOQFLABOFBDY-KRWDZBQOSA-N 2 0 292.471 2.635 20 0 CFADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000192648317 520866753 /nfs/dbraw/zinc/86/67/53/520866753.db2.gz YLDIBNVDMIBOOA-FBVQUNGASA-N 2 0 295.515 2.958 20 0 CFADRP CCCC[C@@H](CC)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000069378360 521037625 /nfs/dbraw/zinc/03/76/25/521037625.db2.gz WJKKKHXWJAFJSU-IAGOWNOFSA-N 2 0 283.504 2.817 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1C ZINC000157966167 521081662 /nfs/dbraw/zinc/08/16/62/521081662.db2.gz SJVYDUGPHIAXOE-DLBZAZTESA-N 2 0 289.467 2.751 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cs1 ZINC000414185956 534542371 /nfs/dbraw/zinc/54/23/71/534542371.db2.gz OUZGRJUCDMATQS-DGCLKSJQSA-N 2 0 267.442 2.834 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCC1 ZINC000423339484 534547185 /nfs/dbraw/zinc/54/71/85/534547185.db2.gz VFKBPHWWRYFEAO-UHFFFAOYSA-N 2 0 266.429 2.728 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227870958 521717801 /nfs/dbraw/zinc/71/78/01/521717801.db2.gz VMOUNHDBNYHNOK-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCC(C)C)C[C@@H]1C ZINC000360676506 521719582 /nfs/dbraw/zinc/71/95/82/521719582.db2.gz PCLJTCICIPMBDB-JYJNAYRXSA-N 2 0 270.461 2.588 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(COC)c2)[C@@H](C)C1 ZINC000246500481 521720725 /nfs/dbraw/zinc/72/07/25/521720725.db2.gz HQFYXBGVABOWGF-YJBOKZPZSA-N 2 0 290.451 2.995 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338689067 521762431 /nfs/dbraw/zinc/76/24/31/521762431.db2.gz PVCBDURUXAMZGB-UHFFFAOYSA-N 2 0 293.499 2.571 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000226744384 521794641 /nfs/dbraw/zinc/79/46/41/521794641.db2.gz TUUVYGHDVHSYNC-UHFFFAOYSA-N 2 0 296.798 2.754 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190969965 521847542 /nfs/dbraw/zinc/84/75/42/521847542.db2.gz IUXQDLKBACOSSC-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cc(F)ccc2F)CC1 ZINC000422833887 534593344 /nfs/dbraw/zinc/59/33/44/534593344.db2.gz ZCRDOKKNVPTCSN-UHFFFAOYSA-N 2 0 268.351 2.614 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCOc2ccc(F)cc2)CC1 ZINC000422780498 534594620 /nfs/dbraw/zinc/59/46/20/534594620.db2.gz KEVZMITVFWDQFY-UHFFFAOYSA-N 2 0 280.387 2.702 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000430624292 534597351 /nfs/dbraw/zinc/59/73/51/534597351.db2.gz OVPSHSJNLOREIF-UHFFFAOYSA-N 2 0 289.354 2.651 20 0 CFADRP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334998304 522093833 /nfs/dbraw/zinc/09/38/33/522093833.db2.gz OTFLSDMYPVLPNM-WBMJQRKESA-N 2 0 262.372 2.744 20 0 CFADRP COc1cc(C)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000156751929 522192556 /nfs/dbraw/zinc/19/25/56/522192556.db2.gz KFIZKLVBBGXKHJ-OAHLLOKOSA-N 2 0 294.439 2.817 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000415052893 534620425 /nfs/dbraw/zinc/62/04/25/534620425.db2.gz LXNGYTCRSVEBLJ-DZGCQCFKSA-N 2 0 264.438 2.809 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246499321 522243439 /nfs/dbraw/zinc/24/34/39/522243439.db2.gz SLEAHCYPHZDXFV-JKIFEVAISA-N 2 0 276.424 2.822 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000234736308 522289000 /nfs/dbraw/zinc/28/90/00/522289000.db2.gz FLDZKPXHRJRFCT-CVEARBPZSA-N 2 0 282.403 2.866 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000234740670 522289331 /nfs/dbraw/zinc/28/93/31/522289331.db2.gz RCTPOHHXQFZILA-SMDDNHRTSA-N 2 0 270.804 2.745 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000156234116 522354268 /nfs/dbraw/zinc/35/42/68/522354268.db2.gz XIMMHEGNGJPJSK-CRAIPNDOSA-N 2 0 290.451 2.912 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309942754 522779105 /nfs/dbraw/zinc/77/91/05/522779105.db2.gz BOTUWYMCSXOURD-JWTNVVGKSA-N 2 0 288.435 2.808 20 0 CFADRP C[N@H+](CCCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000339414987 522794182 /nfs/dbraw/zinc/79/41/82/522794182.db2.gz LHSLRSROQWNJJV-QGZVFWFLSA-N 2 0 288.435 2.628 20 0 CFADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(C)cc1 ZINC000233899139 522943031 /nfs/dbraw/zinc/94/30/31/522943031.db2.gz DEVOAAICWIQHGR-HZPDHXFCSA-N 2 0 264.413 2.790 20 0 CFADRP CCc1oc2ccccc2c1C[NH+]1CCC([NH3+])CC1 ZINC000334841178 523009002 /nfs/dbraw/zinc/00/90/02/523009002.db2.gz GRDMUDWQBBRWNA-UHFFFAOYSA-N 2 0 258.365 2.918 20 0 CFADRP CCn1cc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000163088821 523355981 /nfs/dbraw/zinc/35/59/81/523355981.db2.gz UHEIBTFVZGUGKU-KRWDZBQOSA-N 2 0 290.455 2.567 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138778 523487375 /nfs/dbraw/zinc/48/73/75/523487375.db2.gz MHPALTGHLSMCMA-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774920 534716117 /nfs/dbraw/zinc/71/61/17/534716117.db2.gz YXYHHFKRKPGOJJ-ZIAGYGMSSA-N 2 0 264.800 2.841 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423243372 534727357 /nfs/dbraw/zinc/72/73/57/534727357.db2.gz WFWMAZKHWBKSNM-SJORKVTESA-N 2 0 258.409 2.658 20 0 CFADRP CN1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@H]1c1ccccc1 ZINC000340314382 523747578 /nfs/dbraw/zinc/74/75/78/523747578.db2.gz ANYYXKBPWHDYGV-OALUTQOASA-N 2 0 299.462 2.673 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)CC1 ZINC000336413360 523788427 /nfs/dbraw/zinc/78/84/27/523788427.db2.gz SEPFALDESBIMCW-UHFFFAOYSA-N 2 0 284.407 2.623 20 0 CFADRP CCc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000336186542 523797760 /nfs/dbraw/zinc/79/77/60/523797760.db2.gz YIAQEIYZRXAVII-BBRMVZONSA-N 2 0 259.397 2.565 20 0 CFADRP CCc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)cc[nH+]1 ZINC000336201555 523798317 /nfs/dbraw/zinc/79/83/17/523798317.db2.gz WHVQDYJUMLENLB-MRXNPFEDSA-N 2 0 259.397 2.566 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309741753 523897531 /nfs/dbraw/zinc/89/75/31/523897531.db2.gz SDRWVDSUWRSRGT-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000314103884 523898899 /nfs/dbraw/zinc/89/88/99/523898899.db2.gz HKTPQXRVBQOQEN-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1ccccc1 ZINC000363425665 523962508 /nfs/dbraw/zinc/96/25/08/523962508.db2.gz FOYLGSQGHZHFCH-DLBZAZTESA-N 2 0 269.392 2.797 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049554020 523982239 /nfs/dbraw/zinc/98/22/39/523982239.db2.gz CMUHRMJRWRJVTF-CABCVRRESA-N 2 0 278.440 2.946 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCCCc3ccccc3)C[C@@H]2C1 ZINC000193614064 524016494 /nfs/dbraw/zinc/01/64/94/524016494.db2.gz ZEZPILYBMYFBIK-CALCHBBNSA-N 2 0 258.409 2.503 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC000086595758 524023037 /nfs/dbraw/zinc/02/30/37/524023037.db2.gz RBHJLDLPVPGVKX-UHFFFAOYSA-N 2 0 268.788 2.519 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000360963954 524047093 /nfs/dbraw/zinc/04/70/93/524047093.db2.gz JKFOULJAZYOGAP-HRCADAONSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193937064 524047224 /nfs/dbraw/zinc/04/72/24/524047224.db2.gz HOOIRPCDUXLHEZ-QLFBSQMISA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000053931795 524049856 /nfs/dbraw/zinc/04/98/56/524049856.db2.gz VAEYJLDEQRPDCT-UHFFFAOYSA-N 2 0 274.408 2.533 20 0 CFADRP COc1cccc([C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336126624 524087341 /nfs/dbraw/zinc/08/73/41/524087341.db2.gz BGVRYGYJYCOIHE-CQSZACIVSA-N 2 0 274.408 2.832 20 0 CFADRP COc1cccc([C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336126622 524148531 /nfs/dbraw/zinc/14/85/31/524148531.db2.gz BGVRYGYJYCOIHE-AWEZNQCLSA-N 2 0 274.408 2.832 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000084132319 524263511 /nfs/dbraw/zinc/26/35/11/524263511.db2.gz SBWMVIZBECJCBD-KRWDZBQOSA-N 2 0 258.409 2.797 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000158841319 524264650 /nfs/dbraw/zinc/26/46/50/524264650.db2.gz RUFVEOVNVDVSJH-QGZVFWFLSA-N 2 0 292.471 2.908 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(O)CCC3)CC2)C1 ZINC000305121539 524301233 /nfs/dbraw/zinc/30/12/33/524301233.db2.gz JROKMLSZQKKVQP-GDBMZVCRSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262238096 524311708 /nfs/dbraw/zinc/31/17/08/524311708.db2.gz VYVBAUXCCHDBBT-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1C ZINC000334867986 524389177 /nfs/dbraw/zinc/38/91/77/524389177.db2.gz HFWZDMYRYOPLDJ-MSOLQXFVSA-N 2 0 288.435 2.632 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357038901 524389741 /nfs/dbraw/zinc/38/97/41/524389741.db2.gz AHLRLMPRLUIUAV-KRWDZBQOSA-N 2 0 258.409 2.817 20 0 CFADRP COc1ccccc1CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000182502465 524397724 /nfs/dbraw/zinc/39/77/24/524397724.db2.gz ZUUGWMUAHJTCAY-MRXNPFEDSA-N 2 0 290.451 2.901 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158516809 524408481 /nfs/dbraw/zinc/40/84/81/524408481.db2.gz RDAGQHJBXXQLEV-SJORKVTESA-N 2 0 258.409 2.911 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC000157027276 524437742 /nfs/dbraw/zinc/43/77/42/524437742.db2.gz GQKNFFCNHSWAMJ-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000334981526 524453585 /nfs/dbraw/zinc/45/35/85/524453585.db2.gz REZFVBJMBIVBHA-RDJZCZTQSA-N 2 0 273.424 2.520 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000311809164 524453882 /nfs/dbraw/zinc/45/38/82/524453882.db2.gz IEQIEIGEDAOFHS-OWCLPIDISA-N 2 0 269.477 2.604 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000088196228 524500379 /nfs/dbraw/zinc/50/03/79/524500379.db2.gz LJBAKWKQMDAIFC-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2)C[NH+](C)C ZINC000314084804 524500376 /nfs/dbraw/zinc/50/03/76/524500376.db2.gz YTLTYMQEBRPHDA-ZIAGYGMSSA-N 2 0 292.423 2.696 20 0 CFADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)CC12CCC2 ZINC000361987922 524502903 /nfs/dbraw/zinc/50/29/03/524502903.db2.gz CSBROYKJHAXULK-OAHLLOKOSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335024530 524529821 /nfs/dbraw/zinc/52/98/21/524529821.db2.gz ZBJIUGXYARDNRR-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000360948445 524564026 /nfs/dbraw/zinc/56/40/26/524564026.db2.gz SRVVINDDTZVPFN-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)CC(C)(C)C ZINC000300274317 524621305 /nfs/dbraw/zinc/62/13/05/524621305.db2.gz GMUCOISOJUDGLF-QLFBSQMISA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CCO)C(C)(C)C ZINC000300716397 524621334 /nfs/dbraw/zinc/62/13/34/524621334.db2.gz XQKMILIBHBBUJW-QLFBSQMISA-N 2 0 270.461 2.684 20 0 CFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422840561 534800830 /nfs/dbraw/zinc/80/08/30/534800830.db2.gz BSTLERIXUXGTGG-VXGBXAGGSA-N 2 0 290.386 2.535 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH3+] ZINC000235483903 524688067 /nfs/dbraw/zinc/68/80/67/524688067.db2.gz AMUAGLLMAMGLDL-LLVKDONJSA-N 2 0 285.229 2.709 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000149606964 524697000 /nfs/dbraw/zinc/69/70/00/524697000.db2.gz LJZCZBFEUBZDPY-XOKHGSTOSA-N 2 0 276.399 2.973 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CC[NH3+])sc1Br ZINC000220544659 524775265 /nfs/dbraw/zinc/77/52/65/524775265.db2.gz YYSARKWFZQZBQP-MRVPVSSYSA-N 2 0 277.231 2.646 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1Cl ZINC000334858742 524771304 /nfs/dbraw/zinc/77/13/04/524771304.db2.gz UPJWDYSXZHMZGB-SMDDNHRTSA-N 2 0 252.789 2.736 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1F ZINC000334844822 524771741 /nfs/dbraw/zinc/77/17/41/524771741.db2.gz VQKZCQKDEMNILC-CQSZACIVSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000361757776 524783543 /nfs/dbraw/zinc/78/35/43/524783543.db2.gz ZJVLTNDJHRBJIP-INMHGKMJSA-N 2 0 276.424 2.692 20 0 CFADRP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000334980920 524823198 /nfs/dbraw/zinc/82/31/98/524823198.db2.gz QXDGBJRJSDBEPQ-NVXWUHKLSA-N 2 0 288.435 2.743 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000311372619 524826701 /nfs/dbraw/zinc/82/67/01/524826701.db2.gz JNZPJXKMXVABNK-AWEZNQCLSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CCCO ZINC000227922319 524846264 /nfs/dbraw/zinc/84/62/64/524846264.db2.gz FJQBJUAPLPUHOQ-GJZGRUSLSA-N 2 0 270.461 2.686 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000360882617 524902241 /nfs/dbraw/zinc/90/22/41/524902241.db2.gz HZDCURZQOAEUDC-MLGOLLRUSA-N 2 0 289.398 2.779 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000361482417 524921561 /nfs/dbraw/zinc/92/15/61/524921561.db2.gz XSFVIBMWSIKJGE-LSDHHAIUSA-N 2 0 276.424 2.916 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000360687300 524924630 /nfs/dbraw/zinc/92/46/30/524924630.db2.gz BIKAVCAUTZCFCU-WMLDXEAASA-N 2 0 283.419 2.850 20 0 CFADRP C[C@H]1C[C@H](Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000155938684 524930393 /nfs/dbraw/zinc/93/03/93/524930393.db2.gz CVWLYWMVJRJUSL-GOEBONIOSA-N 2 0 291.439 2.522 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)c[nH]c21 ZINC000361771786 524936848 /nfs/dbraw/zinc/93/68/48/524936848.db2.gz XKWKHXZQSDSCEK-PBHICJAKSA-N 2 0 285.435 2.949 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)c[nH]c21 ZINC000361771794 524937039 /nfs/dbraw/zinc/93/70/39/524937039.db2.gz XKWKHXZQSDSCEK-RHSMWYFYSA-N 2 0 285.435 2.949 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3CC3)CC2)C[C@@H](C)O1 ZINC000156657676 524942078 /nfs/dbraw/zinc/94/20/78/524942078.db2.gz DPRRYBGIVLMQLV-HUUCEWRRSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339409232 525013255 /nfs/dbraw/zinc/01/32/55/525013255.db2.gz XYDMQJLSDJXLMX-HZPDHXFCSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000361482414 525265176 /nfs/dbraw/zinc/26/51/76/525265176.db2.gz XSFVIBMWSIKJGE-CABCVRRESA-N 2 0 276.424 2.916 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000133123756 525296783 /nfs/dbraw/zinc/29/67/83/525296783.db2.gz MONUEDPRYLKNBD-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192907435 525323337 /nfs/dbraw/zinc/32/33/37/525323337.db2.gz PHOJZEYWHOCYLU-MGNMYUMUSA-N 2 0 288.435 2.977 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1Br ZINC000235513291 525335068 /nfs/dbraw/zinc/33/50/68/525335068.db2.gz WWUCDBQQRTWXII-VIFPVBQESA-N 2 0 289.192 2.978 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cncs2)CC[NH+](C)CC1 ZINC000353638276 525335559 /nfs/dbraw/zinc/33/55/59/525335559.db2.gz AXBOPVAQFAKOOH-NSHDSACASA-N 2 0 285.482 2.621 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000168666907 525409861 /nfs/dbraw/zinc/40/98/61/525409861.db2.gz VRCDDEJQQDYVJN-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nccs1 ZINC000227498029 525418670 /nfs/dbraw/zinc/41/86/70/525418670.db2.gz VOJQTSOJTSHPCH-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)CC[N@@H+]1C ZINC000151306061 525443215 /nfs/dbraw/zinc/44/32/15/525443215.db2.gz TXCRLVIMGAPUTL-CRAIPNDOSA-N 2 0 298.434 2.504 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cn[nH]c1 ZINC000340473637 525455873 /nfs/dbraw/zinc/45/58/73/525455873.db2.gz JJVVVKAJTBMKOS-AWEZNQCLSA-N 2 0 284.407 2.856 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc(C)c1F ZINC000335033265 525458941 /nfs/dbraw/zinc/45/89/41/525458941.db2.gz FIDAYHUCNROGDA-GFCCVEGCSA-N 2 0 250.361 2.845 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc(C)c1F ZINC000361894865 525461317 /nfs/dbraw/zinc/46/13/17/525461317.db2.gz ZDLCDRGEFFHMOV-CQSZACIVSA-N 2 0 294.414 2.550 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000312915846 525592677 /nfs/dbraw/zinc/59/26/77/525592677.db2.gz LNZSUJWZFMYWER-QWHCGFSZSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000049554286 525596005 /nfs/dbraw/zinc/59/60/05/525596005.db2.gz SAVNAVLAAYLVHI-QWHCGFSZSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(-n2ccnc2)cc1 ZINC000049553722 525596263 /nfs/dbraw/zinc/59/62/63/525596263.db2.gz FYBBAFXLRXLZSH-LSDHHAIUSA-N 2 0 286.423 2.863 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000051630799 525693899 /nfs/dbraw/zinc/69/38/99/525693899.db2.gz SXFAZTNEINOHDZ-KDOFPFPSSA-N 2 0 272.436 2.864 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334866549 525844453 /nfs/dbraw/zinc/84/44/53/525844453.db2.gz XMPDDRHPIJQIQY-HOCLYGCPSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979804 526072517 /nfs/dbraw/zinc/07/25/17/526072517.db2.gz ISRXJECKJMWEDB-DZGCQCFKSA-N 2 0 292.398 2.574 20 0 CFADRP COc1cccc(Cl)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000228760506 526095868 /nfs/dbraw/zinc/09/58/68/526095868.db2.gz IDSAROXNLYROMX-UHFFFAOYSA-N 2 0 268.788 2.519 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000364939480 526096397 /nfs/dbraw/zinc/09/63/97/526096397.db2.gz WHIJLQQLJORNDJ-MRXNPFEDSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070654 526096922 /nfs/dbraw/zinc/09/69/22/526096922.db2.gz YASOFQHTNQIAEE-CQSZACIVSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979837 526107341 /nfs/dbraw/zinc/10/73/41/526107341.db2.gz JSUOLDSZJRUECT-UONOGXRCSA-N 2 0 292.398 2.574 20 0 CFADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000360883642 526115355 /nfs/dbraw/zinc/11/53/55/526115355.db2.gz ONWJTZSRQIVPGL-GXTWGEPZSA-N 2 0 287.382 2.999 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000334998442 526160031 /nfs/dbraw/zinc/16/00/31/526160031.db2.gz QOVNNIBZERFONT-AAEUAGOBSA-N 2 0 250.411 2.578 20 0 CFADRP C=Cc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423140553 526272251 /nfs/dbraw/zinc/27/22/51/526272251.db2.gz MPFGOYXBGVERSS-UHFFFAOYSA-N 2 0 258.409 2.979 20 0 CFADRP FCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309953557 526284401 /nfs/dbraw/zinc/28/44/01/526284401.db2.gz HMGPJBVYQCRIJZ-IRXDYDNUSA-N 2 0 276.399 2.800 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000309717061 526469594 /nfs/dbraw/zinc/46/95/94/526469594.db2.gz LCZRZSPTARRSCS-ROUUACIJSA-N 2 0 288.435 2.525 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000309724489 526469908 /nfs/dbraw/zinc/46/99/08/526469908.db2.gz NCISAERAZWUCMN-IAGOWNOFSA-N 2 0 290.476 2.851 20 0 CFADRP c1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047972736 526484846 /nfs/dbraw/zinc/48/48/46/526484846.db2.gz SIGZOWSVRJJENX-UHFFFAOYSA-N 2 0 288.435 2.873 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193043431 526563852 /nfs/dbraw/zinc/56/38/52/526563852.db2.gz LXJZVFWORLYHHF-KQMXJJGSSA-N 2 0 277.412 2.610 20 0 CFADRP c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320809456 526626823 /nfs/dbraw/zinc/62/68/23/526626823.db2.gz DFOOBAMHVNXLMP-IYBDPMFKSA-N 2 0 297.402 2.773 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422759212 526683228 /nfs/dbraw/zinc/68/32/28/526683228.db2.gz KMQNZUWNCFINDN-XUWVNRHRSA-N 2 0 282.472 2.935 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423173029 526814221 /nfs/dbraw/zinc/81/42/21/526814221.db2.gz WRJWXIKINSQJMC-BBRMVZONSA-N 2 0 275.440 2.986 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414842988 526823382 /nfs/dbraw/zinc/82/33/82/526823382.db2.gz ZYWBMCYIQNGINR-NSHDSACASA-N 2 0 267.442 2.530 20 0 CFADRP CC(C)(C)c1nc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cs1 ZINC000414825383 526865731 /nfs/dbraw/zinc/86/57/31/526865731.db2.gz CCGHEPZQCZFYMM-NSHDSACASA-N 2 0 267.442 2.530 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cs1 ZINC000227498700 527062533 /nfs/dbraw/zinc/06/25/33/527062533.db2.gz QXWYMIHIQMLPTG-NSHDSACASA-N 2 0 267.442 2.834 20 0 CFADRP Cc1nc2ccc(C[N@@H+](C)C3CC([NH3+])C3)cc2s1 ZINC000334866710 527138215 /nfs/dbraw/zinc/13/82/15/527138215.db2.gz BYATZPQVYSKNCN-UHFFFAOYSA-N 2 0 261.394 2.526 20 0 CFADRP Cc1nc2ccc(C[NH2+]C3(C)CC[NH2+]CC3)cc2s1 ZINC000335175465 527138282 /nfs/dbraw/zinc/13/82/82/527138282.db2.gz VVRIUKCMTSMDBE-UHFFFAOYSA-N 2 0 275.421 2.836 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227808570 527176999 /nfs/dbraw/zinc/17/69/99/527176999.db2.gz ODBMRXIVEQIXQQ-UHFFFAOYSA-N 2 0 297.649 2.993 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccn1 ZINC000423146969 527178328 /nfs/dbraw/zinc/17/83/28/527178328.db2.gz QVOWFVYUTWONQU-KGLIPLIRSA-N 2 0 261.413 2.609 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339407357 527194060 /nfs/dbraw/zinc/19/40/60/527194060.db2.gz JTRFVOWHINHETI-MRXNPFEDSA-N 2 0 276.424 2.906 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000227116705 527210798 /nfs/dbraw/zinc/21/07/98/527210798.db2.gz CLOBHTJGRYGTSJ-DLBZAZTESA-N 2 0 287.451 2.546 20 0 CFADRP CC(C)([NH3+])C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423288268 527255416 /nfs/dbraw/zinc/25/54/16/527255416.db2.gz RHXOGKNHWXYFBM-UHFFFAOYSA-N 2 0 254.418 2.584 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@H]21 ZINC000228471410 527353761 /nfs/dbraw/zinc/35/37/61/527353761.db2.gz YCAZQHALJGUTMC-KBRIMQKVSA-N 2 0 292.398 2.654 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000334846214 527406643 /nfs/dbraw/zinc/40/66/43/527406643.db2.gz NKVQWBGLKYJPTQ-GJZGRUSLSA-N 2 0 255.365 2.594 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014285 527470378 /nfs/dbraw/zinc/47/03/78/527470378.db2.gz WJTRNNNJEFNLOB-BDLCJYEQSA-N 2 0 256.393 2.678 20 0 CFADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)COC1CCCCC1 ZINC000422776352 527484377 /nfs/dbraw/zinc/48/43/77/527484377.db2.gz AGQBUVHQQVQQSM-YIONKMFJSA-N 2 0 266.429 2.598 20 0 CFADRP C(C[C@@H]1CC[NH2+]C1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423239202 527487866 /nfs/dbraw/zinc/48/78/66/527487866.db2.gz AYGZAPZBTKAGJC-UQPPLGOBSA-N 2 0 280.456 2.846 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423162409 527492000 /nfs/dbraw/zinc/49/20/00/527492000.db2.gz LDJHHNYLUQFSFQ-VIQHNZTISA-N 2 0 262.441 2.933 20 0 CFADRP Nc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000261625330 527516894 /nfs/dbraw/zinc/51/68/94/527516894.db2.gz CQWNVQWNOIUMOY-QGZVFWFLSA-N 2 0 273.424 2.719 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000335151081 527568517 /nfs/dbraw/zinc/56/85/17/527568517.db2.gz BDHRUXQKBHMJON-IYBDPMFKSA-N 2 0 282.391 2.664 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]([NH3+])C2CC2)CC1 ZINC000423311562 527647157 /nfs/dbraw/zinc/64/71/57/527647157.db2.gz BZQWYQDWWJAOAA-INIZCTEOSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCCC1 ZINC000422867075 527695097 /nfs/dbraw/zinc/69/50/97/527695097.db2.gz RNMFNKVLPMPXPW-OWCLPIDISA-N 2 0 282.472 2.935 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417969919 527718024 /nfs/dbraw/zinc/71/80/24/527718024.db2.gz OXVDHWLANGTWSV-BZSNNMDCSA-N 2 0 290.451 2.737 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)cc2C)C1 ZINC000414079583 527814143 /nfs/dbraw/zinc/81/41/43/527814143.db2.gz TTWAFJPZHZAYQM-LSDHHAIUSA-N 2 0 276.424 2.996 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000161866855 527833164 /nfs/dbraw/zinc/83/31/64/527833164.db2.gz YGBUMESUJFUPPE-SJORKVTESA-N 2 0 281.488 2.525 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH2+]C)C12CCCCC2 ZINC000423276727 527835706 /nfs/dbraw/zinc/83/57/06/527835706.db2.gz OXIBXDMOTVRIOF-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422738926 527849504 /nfs/dbraw/zinc/84/95/04/527849504.db2.gz KLIHLSMYKRIQBF-ROUUACIJSA-N 3 0 289.467 2.745 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)C[C@H]1Oc1ccccc1 ZINC000423340544 527866748 /nfs/dbraw/zinc/86/67/48/527866748.db2.gz XJQMQDVAQORQCY-HUUCEWRRSA-N 2 0 274.408 2.704 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@H]1Oc1ccccc1 ZINC000423325632 527870864 /nfs/dbraw/zinc/87/08/64/527870864.db2.gz QJMCJXZIJYQHSW-ARFHVFGLSA-N 2 0 274.408 2.559 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423118617 527894583 /nfs/dbraw/zinc/89/45/83/527894583.db2.gz BNKDEARKOKJZTK-XUWVNRHRSA-N 2 0 274.408 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C12CCCCC2 ZINC000423267708 527939590 /nfs/dbraw/zinc/93/95/90/527939590.db2.gz FPAFNESULLSWST-QLFBSQMISA-N 2 0 268.445 2.687 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459740955 536524542 /nfs/dbraw/zinc/52/45/42/536524542.db2.gz URKSZHAZJRCKNA-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP CC1(C[NH2+]C/C=C\c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000414899542 527980177 /nfs/dbraw/zinc/98/01/77/527980177.db2.gz HGQRKCVKIRXIPA-IHWYPQMZSA-N 2 0 280.362 2.957 20 0 CFADRP CC1(C[NH2+]Cc2cccc(OC(F)F)c2)CC[NH2+]CC1 ZINC000414897368 527982629 /nfs/dbraw/zinc/98/26/29/527982629.db2.gz DUMJBHGOWRFHGV-UHFFFAOYSA-N 2 0 284.350 2.767 20 0 CFADRP CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000414868107 528064165 /nfs/dbraw/zinc/06/41/65/528064165.db2.gz HIKVKBMUGOQMRJ-AQFXKWCLSA-N 2 0 258.409 2.838 20 0 CFADRP CC(C)COC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414693937 528080198 /nfs/dbraw/zinc/08/01/98/528080198.db2.gz SCPRNNUXSXGVCU-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(CC)CC ZINC000422831787 528096413 /nfs/dbraw/zinc/09/64/13/528096413.db2.gz DZQKVVGWVPCCOY-FVPDABNVSA-N 2 0 280.456 2.843 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1(C)C ZINC000423198320 528096923 /nfs/dbraw/zinc/09/69/23/528096923.db2.gz FFZKQVUEXMVEEP-KGLIPLIRSA-N 2 0 268.445 2.831 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423326473 528098471 /nfs/dbraw/zinc/09/84/71/528098471.db2.gz KQATYRNGFLQZTN-AWEZNQCLSA-N 2 0 291.439 2.558 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000035451200 528111704 /nfs/dbraw/zinc/11/17/04/528111704.db2.gz ZSCQCXGYVGAFJZ-CQSZACIVSA-N 2 0 252.402 2.922 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414693051 528123299 /nfs/dbraw/zinc/12/32/99/528123299.db2.gz DHEOXZXBZYPMGL-NQNKBUKLSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422826690 528162943 /nfs/dbraw/zinc/16/29/43/528162943.db2.gz LTRXIDYYZAZGNX-PBHICJAKSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422826692 528163205 /nfs/dbraw/zinc/16/32/05/528163205.db2.gz LTRXIDYYZAZGNX-WMLDXEAASA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)COc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414823373 528172283 /nfs/dbraw/zinc/17/22/83/528172283.db2.gz DCUMZJXKXHKUFB-INIZCTEOSA-N 2 0 276.424 2.811 20 0 CFADRP CC(C)COc1cccc(C[NH2+]CC[C@H](C)[NH3+])c1 ZINC000414820219 528172554 /nfs/dbraw/zinc/17/25/54/528172554.db2.gz JGBZOOFAFHBOFY-ZDUSSCGKSA-N 2 0 250.386 2.548 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000422840622 528172876 /nfs/dbraw/zinc/17/28/76/528172876.db2.gz UFBNBCNFBXTNCT-HRCADAONSA-N 3 0 269.477 2.604 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)C1CC1 ZINC000425433778 528173228 /nfs/dbraw/zinc/17/32/28/528173228.db2.gz OEODIAQCMZRKNA-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000414917445 528173925 /nfs/dbraw/zinc/17/39/25/528173925.db2.gz QOLSGYSDRHZMCS-MRXNPFEDSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422697832 528194587 /nfs/dbraw/zinc/19/45/87/528194587.db2.gz WJIPTXXQUNGFOZ-YJBOKZPZSA-N 2 0 289.467 2.759 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@H](C)CCC[NH3+] ZINC000422959326 528205412 /nfs/dbraw/zinc/20/54/12/528205412.db2.gz ROYKCNAJJXJSTB-CQSZACIVSA-N 2 0 264.413 2.906 20 0 CFADRP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301325 528210875 /nfs/dbraw/zinc/21/08/75/528210875.db2.gz HHQPMPOZRYUZQL-QZTJIDSGSA-N 2 0 288.435 2.919 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000442921435 528215347 /nfs/dbraw/zinc/21/53/47/528215347.db2.gz NFYYIUCCTKOJGT-LBPRGKRZSA-N 2 0 267.442 2.827 20 0 CFADRP CCC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423262057 528220271 /nfs/dbraw/zinc/22/02/71/528220271.db2.gz UDEKIPXLESGHCF-HOCLYGCPSA-N 2 0 261.413 2.902 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000422966005 528228874 /nfs/dbraw/zinc/22/88/74/528228874.db2.gz MOHUGNDTVFSHBD-CPFNUKBASA-N 3 0 293.499 2.747 20 0 CFADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422877302 528242828 /nfs/dbraw/zinc/24/28/28/528242828.db2.gz HMYBXOOBGWFBNW-QWHCGFSZSA-N 2 0 262.397 2.732 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422881833 528245270 /nfs/dbraw/zinc/24/52/70/528245270.db2.gz ZFSRRWLUAZKNDW-OLZOCXBDSA-N 2 0 250.386 2.609 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422874115 528246877 /nfs/dbraw/zinc/24/68/77/528246877.db2.gz MYCZITOGKDMLGR-ZFWWWQNUSA-N 2 0 262.397 2.611 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCCN(CC[NH2+]C(C)(C)C)C2)CC1 ZINC000414692800 528250429 /nfs/dbraw/zinc/25/04/29/528250429.db2.gz QNXARYXKPFSQSX-QGZVFWFLSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422707951 528257740 /nfs/dbraw/zinc/25/77/40/528257740.db2.gz BBZSHPWASCNDLX-HIFRSBDPSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cs1 ZINC000422903690 528273892 /nfs/dbraw/zinc/27/38/92/528273892.db2.gz OWEKARXCANWJMU-JSGCOSHPSA-N 2 0 281.469 2.787 20 0 CFADRP CCOc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1OC ZINC000415083101 528275201 /nfs/dbraw/zinc/27/52/01/528275201.db2.gz FFQQMQZJNBCJPL-UHFFFAOYSA-N 2 0 292.423 2.701 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccsc1 ZINC000422867616 528281033 /nfs/dbraw/zinc/28/10/33/528281033.db2.gz SOJSKMDDYHGVEM-DZGCQCFKSA-N 2 0 283.485 2.848 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1OC ZINC000414977256 528281349 /nfs/dbraw/zinc/28/13/49/528281349.db2.gz QVWWXUOOZPFLFJ-MRXNPFEDSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000414804212 528284386 /nfs/dbraw/zinc/28/43/86/528284386.db2.gz OJWMBXZOTKUIJT-GJZGRUSLSA-N 2 0 292.423 2.701 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000414804210 528284721 /nfs/dbraw/zinc/28/47/21/528284721.db2.gz OJWMBXZOTKUIJT-CABCVRRESA-N 2 0 292.423 2.701 20 0 CFADRP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414985836 528317471 /nfs/dbraw/zinc/31/74/71/528317471.db2.gz BOMXJILMPGNGTL-STQMWFEESA-N 2 0 296.484 2.596 20 0 CFADRP CC(C)c1ncc(C[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000414910275 528351922 /nfs/dbraw/zinc/35/19/22/528351922.db2.gz SQNOJMVOLLNHAC-UHFFFAOYSA-N 2 0 267.442 2.746 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414969876 528455773 /nfs/dbraw/zinc/45/57/73/528455773.db2.gz JUHXYKRIFMJCML-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCOC2)CC1 ZINC000164487168 528462504 /nfs/dbraw/zinc/46/25/04/528462504.db2.gz AGHYWOJTBZFHMU-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](CC)[C@H]2CCOC2)CC1 ZINC000164487509 528462741 /nfs/dbraw/zinc/46/27/41/528462741.db2.gz AGHYWOJTBZFHMU-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000422847014 528465217 /nfs/dbraw/zinc/46/52/17/528465217.db2.gz QSVCTJYAWDDKPP-FGTMMUONSA-N 2 0 295.515 2.850 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422903666 528466082 /nfs/dbraw/zinc/46/60/82/528466082.db2.gz OTWHWNAANNHOJJ-CJNGLKHVSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH3+] ZINC000423196961 528475673 /nfs/dbraw/zinc/47/56/73/528475673.db2.gz XASVPRLGPPLXCA-JTQLQIEISA-N 2 0 256.777 2.738 20 0 CFADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423304543 528475704 /nfs/dbraw/zinc/47/57/04/528475704.db2.gz YXYQZKPEVCIAGW-QWRGUYRKSA-N 2 0 270.804 2.984 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414867254 528509128 /nfs/dbraw/zinc/50/91/28/528509128.db2.gz IAONZFPNEMPIHR-NVXWUHKLSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000414791503 528598063 /nfs/dbraw/zinc/59/80/63/528598063.db2.gz BJMFKYAFVLBKHC-FMKPAKJESA-N 2 0 278.444 2.502 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC)C(C)(C)C)CC[NH2+]CC1 ZINC000422858673 528610047 /nfs/dbraw/zinc/61/00/47/528610047.db2.gz IROJEBCUOHQXJL-ZIAGYGMSSA-N 2 0 298.471 2.722 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C[C@@H](C)CC)CC[NH2+]CC1 ZINC000422919188 528614969 /nfs/dbraw/zinc/61/49/69/528614969.db2.gz JSYZSBYWVLWLLC-ZNMIVQPWSA-N 2 0 298.471 2.722 20 0 CFADRP CCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422859441 528618224 /nfs/dbraw/zinc/61/82/24/528618224.db2.gz KEHDBOGBJVXNFC-KGLIPLIRSA-N 2 0 264.413 2.999 20 0 CFADRP CCCc1ccc([C@@H]([NH2+]CCOCC[NH3+])C(C)C)cc1 ZINC000420368222 528628162 /nfs/dbraw/zinc/62/81/62/528628162.db2.gz HSLKFSGLVKBKKK-KRWDZBQOSA-N 2 0 278.440 2.901 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427120388 528634749 /nfs/dbraw/zinc/63/47/49/528634749.db2.gz BPKPCQYUPALTPU-IRXDYDNUSA-N 2 0 258.409 2.823 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCC1 ZINC000422940516 528636918 /nfs/dbraw/zinc/63/69/18/528636918.db2.gz NKEGGIACWHIZJJ-GJZGRUSLSA-N 2 0 268.445 2.561 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000422820523 528638268 /nfs/dbraw/zinc/63/82/68/528638268.db2.gz RALPRWUOGSIHHK-MGPQQGTHSA-N 2 0 256.434 2.687 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000422816677 528642149 /nfs/dbraw/zinc/64/21/49/528642149.db2.gz FRNRSRIHZCHKDE-ZOBORPQBSA-N 2 0 256.434 2.686 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1(C)C ZINC000423509215 528643003 /nfs/dbraw/zinc/64/30/03/528643003.db2.gz OGTFMNYCTOMQFP-ZQDZILKHSA-N 2 0 268.445 2.687 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423321084 528652195 /nfs/dbraw/zinc/65/21/95/528652195.db2.gz GCEJWIRRHPVKNW-GJZGRUSLSA-N 2 0 282.472 2.950 20 0 CFADRP CCCc1csc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414786808 528662396 /nfs/dbraw/zinc/66/23/96/528662396.db2.gz UWMZRUUNIRKELC-UONOGXRCSA-N 2 0 293.480 2.917 20 0 CFADRP CCCc1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000414763253 528666561 /nfs/dbraw/zinc/66/65/61/528666561.db2.gz BOZTVVXFSXZXHI-BETUJISGSA-N 2 0 279.453 2.527 20 0 CFADRP CCCc1csc(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000415008222 528670312 /nfs/dbraw/zinc/67/03/12/528670312.db2.gz CZOQXRABGMGVOE-LLVKDONJSA-N 2 0 255.431 2.703 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1OC ZINC000414883659 528675932 /nfs/dbraw/zinc/67/59/32/528675932.db2.gz NEGGWKSNWOHDPL-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1OC ZINC000414884483 528676230 /nfs/dbraw/zinc/67/62/30/528676230.db2.gz NLANCDFQQBXLFS-CYBMUJFWSA-N 2 0 280.412 2.559 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422893877 528688524 /nfs/dbraw/zinc/68/85/24/528688524.db2.gz BELXDKUGVMALBJ-STQMWFEESA-N 2 0 250.386 2.691 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000414905940 528688924 /nfs/dbraw/zinc/68/89/24/528688924.db2.gz ALNTUCMTYSZBAS-HNNXBMFYSA-N 2 0 292.423 2.716 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000422711903 528690392 /nfs/dbraw/zinc/69/03/92/528690392.db2.gz HSANGHCVKBOTKX-IBEHDNSVSA-N 2 0 268.445 2.543 20 0 CFADRP CCOc1ccccc1C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414669986 528722726 /nfs/dbraw/zinc/72/27/26/528722726.db2.gz CIQCNZPUJYIOBU-LSDHHAIUSA-N 2 0 276.424 2.905 20 0 CFADRP CCOc1ccccc1C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414669981 528723996 /nfs/dbraw/zinc/72/39/96/528723996.db2.gz CIQCNZPUJYIOBU-GJZGRUSLSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423157217 528780194 /nfs/dbraw/zinc/78/01/94/528780194.db2.gz UYCKTQRFWYDCEP-FZKCQIBNSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422869248 528836874 /nfs/dbraw/zinc/83/68/74/528836874.db2.gz WZVXFJXOQZXRBE-LSDHHAIUSA-N 3 0 277.456 2.742 20 0 CFADRP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000415003833 528876782 /nfs/dbraw/zinc/87/67/82/528876782.db2.gz XPPJQZJLJJTXBN-GJZGRUSLSA-N 2 0 278.444 2.517 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1COC(C)(C)C1)C(C)C ZINC000417937712 528885114 /nfs/dbraw/zinc/88/51/14/528885114.db2.gz IQQRPEITVJTRLV-CQSZACIVSA-N 2 0 256.434 2.652 20 0 CFADRP CCC[C@@H](C)[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321776 528886698 /nfs/dbraw/zinc/88/66/98/528886698.db2.gz RRLNRHGDORHRCS-HIFRSBDPSA-N 2 0 264.413 2.858 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422749493 528914073 /nfs/dbraw/zinc/91/40/73/528914073.db2.gz ZKWYGTQWWXTUFW-YLFCFFPRSA-N 2 0 282.472 2.950 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000423291445 528948647 /nfs/dbraw/zinc/94/86/47/528948647.db2.gz IINABAWQLLBOKE-UHFFFAOYSA-N 2 0 280.416 2.511 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423289713 528951263 /nfs/dbraw/zinc/95/12/63/528951263.db2.gz BQDMMJWAFRBWEN-SJORKVTESA-N 2 0 289.467 2.929 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423289351 528956066 /nfs/dbraw/zinc/95/60/66/528956066.db2.gz WYDGTJMBLNVFDT-KBPBESRZSA-N 2 0 270.461 2.933 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423300397 528957834 /nfs/dbraw/zinc/95/78/34/528957834.db2.gz RMNVHYNZGKFHCF-NXHRZFHOSA-N 2 0 289.467 2.757 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423300393 528958559 /nfs/dbraw/zinc/95/85/59/528958559.db2.gz RMNVHYNZGKFHCF-JQHSSLGASA-N 2 0 289.467 2.757 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425343471 528968138 /nfs/dbraw/zinc/96/81/38/528968138.db2.gz IKOJDPPYYXIENY-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247079 529028882 /nfs/dbraw/zinc/02/88/82/529028882.db2.gz KQXHVFHZZNJASU-WMZOPIPTSA-N 2 0 290.451 2.817 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000423468148 529122345 /nfs/dbraw/zinc/12/23/45/529122345.db2.gz JLLGKKNIKCFRIK-BPUTZDHNSA-N 2 0 261.413 2.886 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193123602 529143513 /nfs/dbraw/zinc/14/35/13/529143513.db2.gz OTLQSJROYYDBOK-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177213309 529143877 /nfs/dbraw/zinc/14/38/77/529143877.db2.gz PLRJECOXFKHISX-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000162754420 529160846 /nfs/dbraw/zinc/16/08/46/529160846.db2.gz DZRGQQOSIRVQPX-ZWKOTPCHSA-N 2 0 290.451 2.913 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423246030 529169173 /nfs/dbraw/zinc/16/91/73/529169173.db2.gz JQMRYMWHWKDCSD-IUODEOHRSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423216980 529179434 /nfs/dbraw/zinc/17/94/34/529179434.db2.gz SUZFNRKCBBQFQA-XJKSGUPXSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422950723 529207499 /nfs/dbraw/zinc/20/74/99/529207499.db2.gz WOQTXDOIUTZWCI-LSDHHAIUSA-N 2 0 290.407 2.641 20 0 CFADRP CCS[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422831822 529227889 /nfs/dbraw/zinc/22/78/89/529227889.db2.gz FEZAVZASEVIAHV-WQGXVZNYSA-N 2 0 268.470 2.923 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000423162515 529248301 /nfs/dbraw/zinc/24/83/01/529248301.db2.gz TZGZQWPIYQXTRA-MKBNYLNASA-N 2 0 279.428 2.560 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])OC ZINC000423159391 529248554 /nfs/dbraw/zinc/24/85/54/529248554.db2.gz PAAPONAWPUCMPK-FSDCSDTHSA-N 2 0 278.440 2.596 20 0 CFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422913285 529297905 /nfs/dbraw/zinc/29/79/05/529297905.db2.gz YCYFKGDNYRNVPC-KLAILNCOSA-N 2 0 295.515 2.994 20 0 CFADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(F)c1 ZINC000422851917 529361215 /nfs/dbraw/zinc/36/12/15/529361215.db2.gz PSAAJECAFBEVTC-VFSICIBPSA-N 2 0 292.398 2.856 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Oc1ccccc1Cl ZINC000422838003 529368043 /nfs/dbraw/zinc/36/80/43/529368043.db2.gz NMGOOUWVIAHYTJ-WCQYABFASA-N 2 0 282.815 2.695 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Oc1ccccc1C ZINC000422919053 529368081 /nfs/dbraw/zinc/36/80/81/529368081.db2.gz JABWUICEZNWMFN-QLFBSQMISA-N 2 0 264.413 2.868 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Oc1ccccc1C ZINC000422919055 529370127 /nfs/dbraw/zinc/37/01/27/529370127.db2.gz JABWUICEZNWMFN-RRFJBIMHSA-N 2 0 264.413 2.868 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422919299 529370706 /nfs/dbraw/zinc/37/07/06/529370706.db2.gz JMWVMWNYEVPZGU-INMHGKMJSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1F ZINC000422819362 529371055 /nfs/dbraw/zinc/37/10/55/529371055.db2.gz MVHJPXQVCRRADA-FMKPAKJESA-N 2 0 294.414 2.961 20 0 CFADRP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443056231 535123681 /nfs/dbraw/zinc/12/36/81/535123681.db2.gz CJKNNQGEXNRLQV-CHWSQXEVSA-N 2 0 280.416 2.534 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(CC)c2)C1 ZINC000450362963 535262281 /nfs/dbraw/zinc/26/22/81/535262281.db2.gz SOKOYCHBFUTBBO-AWEZNQCLSA-N 2 0 261.413 2.812 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449648193 535323335 /nfs/dbraw/zinc/32/33/35/535323335.db2.gz QITAPUPBNIKPDB-JKSUJKDBSA-N 2 0 297.487 2.522 20 0 CFADRP CCOc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459747043 535510957 /nfs/dbraw/zinc/51/09/57/535510957.db2.gz ZQCHIOIKCIRKDE-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CCCCC2)CC1 ZINC000449744165 535671366 /nfs/dbraw/zinc/67/13/66/535671366.db2.gz FHCSOUKDWQWCSJ-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000449746305 535672072 /nfs/dbraw/zinc/67/20/72/535672072.db2.gz RCZDRVBFLZJOPQ-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453084088 535698875 /nfs/dbraw/zinc/69/88/75/535698875.db2.gz NEXCXFJXMJNSOH-GOSISDBHSA-N 2 0 293.499 2.572 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449131210 535718799 /nfs/dbraw/zinc/71/87/99/535718799.db2.gz KVFGCSXNBOMFGN-CVEARBPZSA-N 2 0 283.504 2.674 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459564768 535751264 /nfs/dbraw/zinc/75/12/64/535751264.db2.gz SWNOYLQGGGOJQM-IAGOWNOFSA-N 2 0 289.423 2.598 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000442752602 535994038 /nfs/dbraw/zinc/99/40/38/535994038.db2.gz DXBBOQDINOFZHB-AWEZNQCLSA-N 2 0 286.379 2.613 20 0 CFADRP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341876095 536730786 /nfs/dbraw/zinc/73/07/86/536730786.db2.gz MSHKLZBQRQXJPV-ZFWWWQNUSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000268787623 537012747 /nfs/dbraw/zinc/01/27/47/537012747.db2.gz FHXYXHVWZHDIID-HUUCEWRRSA-N 2 0 288.435 2.799 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OCC ZINC000666855272 545559008 /nfs/dbraw/zinc/55/90/08/545559008.db2.gz IJHGNVJTVQKMFI-HNNXBMFYSA-N 2 0 292.423 2.716 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3cc(OC)ccc32)C[C@H]1C ZINC000754079544 574069953 /nfs/dbraw/zinc/06/99/53/574069953.db2.gz JOTWEPFBYGTYBE-CYBMUJFWSA-N 2 0 285.391 2.774 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC000671302777 574084392 /nfs/dbraw/zinc/08/43/92/574084392.db2.gz IOROSQBYGJDIBS-NSHDSACASA-N 2 0 299.365 2.503 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754784583 574120285 /nfs/dbraw/zinc/12/02/85/574120285.db2.gz HGCUFGDQEKUMJT-SJORKVTESA-N 3 0 281.488 2.715 20 0 CFADRP CCCC[C@@H](CC)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415112256 574208068 /nfs/dbraw/zinc/20/80/68/574208068.db2.gz RWUVFPDAMXSTAD-CABCVRRESA-N 2 0 256.434 2.643 20 0 CFADRP C[C@@H]([NH2+][C@H]1COCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396440190 574292425 /nfs/dbraw/zinc/29/24/25/574292425.db2.gz KPKFCPCCLXNUOK-DYVFJYSZSA-N 2 0 274.408 2.578 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CSC3)C2)cc1 ZINC000396459616 574355197 /nfs/dbraw/zinc/35/51/97/574355197.db2.gz PBGHOMRBDFJTJT-HNNXBMFYSA-N 2 0 276.449 2.604 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000743249371 574355855 /nfs/dbraw/zinc/35/58/55/574355855.db2.gz YRTMTSLUUJVBNG-INIZCTEOSA-N 2 0 290.451 2.927 20 0 CFADRP COCc1cc([C@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1OC ZINC000051693809 618049269 /nfs/dbraw/zinc/04/92/69/618049269.db2.gz QFKNXHOENSRJIK-JQRITLKVSA-N 2 0 292.423 2.762 20 0 CFADRP CCC[NH+]1CCC(CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000092277762 617632132 /nfs/dbraw/zinc/63/21/32/617632132.db2.gz AKKGOCZAEWAALD-UHFFFAOYSA-N 2 0 294.487 2.736 20 0 CFADRP CC(C)[NH+]1CCC(N(C)c2cc(N)[nH+]cc2Cl)CC1 ZINC000891682301 617708098 /nfs/dbraw/zinc/70/80/98/617708098.db2.gz GZLDBUCGFLVYRL-UHFFFAOYSA-N 2 0 282.819 2.626 20 0 CFADRP CC(C)CSCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734748 617764063 /nfs/dbraw/zinc/76/40/63/617764063.db2.gz CMDUAOYFPJKCNW-LSDHHAIUSA-N 2 0 270.486 2.649 20 0 CFADRP CC1CC[NH+](CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000251729952 617767533 /nfs/dbraw/zinc/76/75/33/617767533.db2.gz QKUZYUZNEUUGEG-RCCFBDPRSA-N 2 0 293.499 2.619 20 0 CFADRP COC1CCC(C[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000891876165 617797045 /nfs/dbraw/zinc/79/70/45/617797045.db2.gz LRPHVIBTGMPJTE-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000062050394 617832118 /nfs/dbraw/zinc/83/21/18/617832118.db2.gz FSCILTDPTXODRZ-CYBMUJFWSA-N 2 0 264.388 2.688 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308153 617859564 /nfs/dbraw/zinc/85/95/64/617859564.db2.gz MTUPEPBVCZFXEQ-DLBZAZTESA-N 2 0 280.456 2.512 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000234683874 617894162 /nfs/dbraw/zinc/89/41/62/617894162.db2.gz LCLKXGFDRBRKAC-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)o2)C[C@H]1C ZINC000892102189 617949932 /nfs/dbraw/zinc/94/99/32/617949932.db2.gz CVTMBTHTIFOLMV-CHWSQXEVSA-N 2 0 266.385 2.593 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCC(OC)CC2)C[C@H]1C ZINC000892104493 617951928 /nfs/dbraw/zinc/95/19/28/617951928.db2.gz RZIBERLYSKOFEG-GYXIZQIFSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(F)c(C)c2)[C@H](C)C1 ZINC000892106136 617953209 /nfs/dbraw/zinc/95/32/09/617953209.db2.gz RLUVOSFOQINZCC-UKRRQHHQSA-N 2 0 279.403 2.691 20 0 CFADRP CC(C)CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000892154588 617976234 /nfs/dbraw/zinc/97/62/34/617976234.db2.gz ZWCBSVSYLRMQBJ-ROUUACIJSA-N 2 0 295.515 2.771 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158173337 618033710 /nfs/dbraw/zinc/03/37/10/618033710.db2.gz ODBPFEFUCYRVDP-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2ccnc2)cc1 ZINC000051692695 618048261 /nfs/dbraw/zinc/04/82/61/618048261.db2.gz QCPYRBQRSGWKQT-JEYLPNPQSA-N 2 0 284.407 2.793 20 0 CFADRP CSCCCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000235108126 618085747 /nfs/dbraw/zinc/08/57/47/618085747.db2.gz XWKYIVNRSHIUJN-UHFFFAOYSA-N 2 0 258.475 2.841 20 0 CFADRP Cc1cc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1C(C)C ZINC000050248844 618102665 /nfs/dbraw/zinc/10/26/65/618102665.db2.gz BQXJJBHFCHOLLQ-HNNXBMFYSA-N 2 0 276.424 2.778 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000926114168 618113243 /nfs/dbraw/zinc/11/32/43/618113243.db2.gz KYHYGBLVXUQBJI-AWEZNQCLSA-N 2 0 290.455 2.991 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000926115650 618116413 /nfs/dbraw/zinc/11/64/13/618116413.db2.gz WLELUPKKRFOCCS-HZPDHXFCSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C1CCC2(CC1)OCCO2)C(C)C ZINC000161613727 618146091 /nfs/dbraw/zinc/14/60/91/618146091.db2.gz HLQQHYRNTUQCGN-UHFFFAOYSA-N 2 0 298.471 2.771 20 0 CFADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@H]1CCCC[NH+]1C(C)C ZINC000933252513 618177091 /nfs/dbraw/zinc/17/70/91/618177091.db2.gz XLBHVUITNKADRC-QZTJIDSGSA-N 2 0 295.515 2.911 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000926545144 618193496 /nfs/dbraw/zinc/19/34/96/618193496.db2.gz UHBNAGAYBHBKNW-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000308399978 618201211 /nfs/dbraw/zinc/20/12/11/618201211.db2.gz VTFWTQOSMWNKBR-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](Cc1ccc(F)cc1F)C1CCC([NH3+])CC1 ZINC000091844359 618202326 /nfs/dbraw/zinc/20/23/26/618202326.db2.gz QYJCAQRXIVBCQL-UHFFFAOYSA-N 2 0 254.324 2.667 20 0 CFADRP C1C[C@H]([NH2+][C@H]2CCCSC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000252979655 618214367 /nfs/dbraw/zinc/21/43/67/618214367.db2.gz IUVPCJVSKDMVBR-XQLPTFJDSA-N 2 0 268.470 2.782 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926572655 618216857 /nfs/dbraw/zinc/21/68/57/618216857.db2.gz GJXMNTHUEZSZSJ-BZUAXINKSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309691242 618232745 /nfs/dbraw/zinc/23/27/45/618232745.db2.gz CVSMKJOBQFIAEB-OIISXLGYSA-N 2 0 258.409 2.897 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000893940990 618247257 /nfs/dbraw/zinc/24/72/57/618247257.db2.gz MMOBHFUBIQBPAE-LBPRGKRZSA-N 2 0 278.362 2.991 20 0 CFADRP C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)[C@@H]1C1CCCCC1 ZINC000925576615 618259939 /nfs/dbraw/zinc/25/99/39/618259939.db2.gz YAKYBPUJAYWSIL-OGEQHFGCSA-N 2 0 260.425 2.541 20 0 CFADRP Cc1cccc(NCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925580271 618264273 /nfs/dbraw/zinc/26/42/73/618264273.db2.gz QXHVHBVKTSJYIV-KRWDZBQOSA-N 2 0 298.434 2.872 20 0 CFADRP CC[C@@H](O)CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925580492 618264981 /nfs/dbraw/zinc/26/49/81/618264981.db2.gz LACGRIDNRYZSBP-CVEARBPZSA-N 2 0 264.413 2.607 20 0 CFADRP CC[C@H](O)CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925580495 618265006 /nfs/dbraw/zinc/26/50/06/618265006.db2.gz LACGRIDNRYZSBP-JKSUJKDBSA-N 2 0 264.413 2.607 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000925585855 618271784 /nfs/dbraw/zinc/27/17/84/618271784.db2.gz AMZRPESRAGDCMV-SJORKVTESA-N 2 0 289.467 2.970 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262112404 618276422 /nfs/dbraw/zinc/27/64/22/618276422.db2.gz WOHAFBKMYHUVNQ-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000894038526 618283092 /nfs/dbraw/zinc/28/30/92/618283092.db2.gz ZJUZBBZDMRFCCR-INIZCTEOSA-N 2 0 276.424 2.920 20 0 CFADRP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893304399 618287803 /nfs/dbraw/zinc/28/78/03/618287803.db2.gz NBUQMUFDAZEALL-CXAGYDPISA-N 2 0 294.414 2.833 20 0 CFADRP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925601469 618288230 /nfs/dbraw/zinc/28/82/30/618288230.db2.gz ZUCFXVIQMFSPBJ-OAGGEKHMSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000892459312 618298097 /nfs/dbraw/zinc/29/80/97/618298097.db2.gz AIYVOKMAIIJCIK-UHFFFAOYSA-N 2 0 290.451 2.948 20 0 CFADRP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894060823 618298204 /nfs/dbraw/zinc/29/82/04/618298204.db2.gz ZLCYNMVGHYZUTB-QGZVFWFLSA-N 2 0 296.455 2.526 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615301 618320792 /nfs/dbraw/zinc/32/07/92/618320792.db2.gz YUHZIJZLDMBELQ-WMZOPIPTSA-N 2 0 289.467 2.788 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000925617084 618325571 /nfs/dbraw/zinc/32/55/71/618325571.db2.gz PSOODLRGMKNHFR-INIZCTEOSA-N 2 0 276.424 2.751 20 0 CFADRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000066243095 618325602 /nfs/dbraw/zinc/32/56/02/618325602.db2.gz ACTMFDKZCAEKJT-KGLIPLIRSA-N 2 0 274.412 2.886 20 0 CFADRP CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924860631 618326163 /nfs/dbraw/zinc/32/61/63/618326163.db2.gz CVUHFUHBNKIJFE-YOEHRIQHSA-N 2 0 278.440 2.806 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924861883 618328897 /nfs/dbraw/zinc/32/88/97/618328897.db2.gz OFRJXQIABPLNII-HPUBIQBYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH3+])[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000925622586 618341225 /nfs/dbraw/zinc/34/12/25/618341225.db2.gz RCIFSVUXXYZHDR-PBHICJAKSA-N 2 0 289.467 2.927 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925623758 618344380 /nfs/dbraw/zinc/34/43/80/618344380.db2.gz SNQZMSYFIJOKGG-OIISXLGYSA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925624099 618345752 /nfs/dbraw/zinc/34/57/52/618345752.db2.gz VAFGAQVSJOJMKI-CVEARBPZSA-N 2 0 283.504 2.991 20 0 CFADRP CCC[NH+]1CCC(NCc2ccc(OCC)o2)CC1 ZINC000893323859 618346549 /nfs/dbraw/zinc/34/65/49/618346549.db2.gz LTQGFTJGLDHYJA-UHFFFAOYSA-N 2 0 266.385 2.642 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925628194 618354040 /nfs/dbraw/zinc/35/40/40/618354040.db2.gz HFCFZQMMQOHSBV-QLFBSQMISA-N 2 0 268.445 2.700 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925632310 618362368 /nfs/dbraw/zinc/36/23/68/618362368.db2.gz WQADNXDYOGHXEM-UONOGXRCSA-N 2 0 280.387 2.830 20 0 CFADRP CC(=O)OC[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000893327396 618364196 /nfs/dbraw/zinc/36/41/96/618364196.db2.gz IICFQGDKNHHMMK-AWEZNQCLSA-N 2 0 292.423 2.568 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925636078 618368978 /nfs/dbraw/zinc/36/89/78/618368978.db2.gz QAQQUYXGVVAEHI-IRXDYDNUSA-N 2 0 290.451 2.853 20 0 CFADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cnc1F ZINC000893330563 618378994 /nfs/dbraw/zinc/37/89/94/618378994.db2.gz KJFZYPXDTLCNQT-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)CCCCCC[NH3+] ZINC000237030504 618388038 /nfs/dbraw/zinc/38/80/38/618388038.db2.gz RGEBTVATWYBJRW-UHFFFAOYSA-N 2 0 277.412 2.644 20 0 CFADRP C[C@H]([NH2+]CC1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924883874 618393263 /nfs/dbraw/zinc/39/32/63/618393263.db2.gz ZSJVHHRXVXRRAJ-AWEZNQCLSA-N 2 0 276.424 2.825 20 0 CFADRP CN(C)C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925646283 618393206 /nfs/dbraw/zinc/39/32/06/618393206.db2.gz XTACJQVMIXQFLM-MRXNPFEDSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@@H]1CC(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C[C@@H](C)O1 ZINC000925652723 618406014 /nfs/dbraw/zinc/40/60/14/618406014.db2.gz AEUXSRJPZPXMQY-KJWYOANISA-N 2 0 294.483 2.948 20 0 CFADRP C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925655504 618410773 /nfs/dbraw/zinc/41/07/73/618410773.db2.gz VOYODYCOEDZUBE-KBPBESRZSA-N 2 0 291.439 2.546 20 0 CFADRP CC(C)(C)N1CC[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000926682124 618412619 /nfs/dbraw/zinc/41/26/19/618412619.db2.gz GKUUQLURRZIRBA-TUBUQKNSSA-N 2 0 280.456 2.797 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C[C@@H]([NH3+])C1 ZINC000925660278 618420793 /nfs/dbraw/zinc/42/07/93/618420793.db2.gz KKJUZGQYLRTFJT-QLFBSQMISA-N 2 0 280.456 2.831 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000925660456 618422892 /nfs/dbraw/zinc/42/28/92/618422892.db2.gz QVSXVKWUFUNUHK-FLOBVVSRSA-N 2 0 285.435 2.566 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925664469 618430235 /nfs/dbraw/zinc/43/02/35/618430235.db2.gz FEXJMBIPXRJPPS-YESZJQIVSA-N 2 0 290.451 2.832 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894181008 618430444 /nfs/dbraw/zinc/43/04/44/618430444.db2.gz NLCBRDLLKGSCJA-XHSDSOJGSA-N 2 0 282.472 2.759 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C1 ZINC000925668115 618435056 /nfs/dbraw/zinc/43/50/56/618435056.db2.gz USPYOIGHISNMOH-LSDHHAIUSA-N 2 0 286.423 2.601 20 0 CFADRP Cc1ccnc(N)c1CNc1ccc(N2CCCC2)cn1 ZINC000894198783 618438324 /nfs/dbraw/zinc/43/83/24/618438324.db2.gz BXGHZDHKEGJSDW-UHFFFAOYSA-N 2 0 283.379 2.580 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CSC3)CC2)C1 ZINC000877634976 618451529 /nfs/dbraw/zinc/45/15/29/618451529.db2.gz XFUSUZAXAVMCDL-SWLSCSKDSA-N 2 0 268.470 2.735 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C12CCC2 ZINC000925680316 618459437 /nfs/dbraw/zinc/45/94/37/618459437.db2.gz QDLCJOXHAUNFMI-KBPBESRZSA-N 2 0 298.789 2.717 20 0 CFADRP C[NH+]1CCC(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000895231563 618484994 /nfs/dbraw/zinc/48/49/94/618484994.db2.gz MITYLMWSMQFOGE-UHFFFAOYSA-N 2 0 296.455 2.524 20 0 CFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895295032 618514156 /nfs/dbraw/zinc/51/41/56/618514156.db2.gz YNHBEWMHJVGJKB-KBPBESRZSA-N 2 0 292.423 2.666 20 0 CFADRP CCc1noc(C2CCC([NH2+]CC[C@@H](C)[NH+](C)C)CC2)n1 ZINC000895296194 618517898 /nfs/dbraw/zinc/51/78/98/618517898.db2.gz AEFXCLOFSJEBBB-IYXRBSQSSA-N 2 0 294.443 2.588 20 0 CFADRP CCc1ccc(C)[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895329470 618535257 /nfs/dbraw/zinc/53/52/57/618535257.db2.gz HGOPQEYBYMEPJV-GOOCMWNKSA-N 2 0 259.397 2.990 20 0 CFADRP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)n1 ZINC000895375857 618558875 /nfs/dbraw/zinc/55/88/75/618558875.db2.gz FCZMEKKOJQIWAX-CJNGLKHVSA-N 2 0 291.439 2.648 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccn1C ZINC000895375735 618559041 /nfs/dbraw/zinc/55/90/41/618559041.db2.gz DGTUNVNYLOGQLN-HOCLYGCPSA-N 2 0 263.429 2.577 20 0 CFADRP C[C@H]([NH2+]CC1CSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895422201 618582817 /nfs/dbraw/zinc/58/28/17/618582817.db2.gz VJSKVSVAUWOWBX-YOEHRIQHSA-N 2 0 290.476 2.850 20 0 CFADRP CC(C)[C@@H](O)[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000895436913 618584599 /nfs/dbraw/zinc/58/45/99/618584599.db2.gz FLBHZHVDDVPEPB-ZWKOTPCHSA-N 2 0 290.451 2.676 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000926752839 618634898 /nfs/dbraw/zinc/63/48/98/618634898.db2.gz BYGODMLXVXZZGR-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)nc1 ZINC000892584066 618642710 /nfs/dbraw/zinc/64/27/10/618642710.db2.gz HFNIAMDAYFYMEJ-OAHLLOKOSA-N 2 0 291.439 2.692 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000070189831 625280594 /nfs/dbraw/zinc/28/05/94/625280594.db2.gz HLPAVCCJOVJWFA-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924578072 618651253 /nfs/dbraw/zinc/65/12/53/618651253.db2.gz OXKUHMKYVVAJCX-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)nc3c2CCCC3)C1 ZINC000892614719 618655299 /nfs/dbraw/zinc/65/52/99/618655299.db2.gz SDZOOJTXVHCWEA-OAHLLOKOSA-N 2 0 287.451 2.700 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]CC2(CCCOC)CCC2)C1 ZINC000892615044 618655543 /nfs/dbraw/zinc/65/55/43/618655543.db2.gz VKXHMAPPIDFJHU-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166328629 618704695 /nfs/dbraw/zinc/70/46/95/618704695.db2.gz HGCUFGDQEKUMJT-IAGOWNOFSA-N 3 0 281.488 2.715 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)Cn2ccnc2)c2c(n1)CCCC2 ZINC000892710693 618725338 /nfs/dbraw/zinc/72/53/38/618725338.db2.gz DFVGYCBQEINFFH-CQSZACIVSA-N 2 0 298.434 2.891 20 0 CFADRP COc1ccccc1C1(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000892782825 618745471 /nfs/dbraw/zinc/74/54/71/618745471.db2.gz WOXOTUYLGGNVRH-UHFFFAOYSA-N 2 0 288.435 2.658 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000852107936 618762727 /nfs/dbraw/zinc/76/27/27/618762727.db2.gz RXIJHYXQFVRVIZ-AWEZNQCLSA-N 2 0 250.411 2.666 20 0 CFADRP Cc1ccccc1OCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892919844 618770265 /nfs/dbraw/zinc/77/02/65/618770265.db2.gz QUDXMGRXPAPFJP-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000892936608 618773789 /nfs/dbraw/zinc/77/37/89/618773789.db2.gz IGHSQBRPIPXHOU-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892939351 618774689 /nfs/dbraw/zinc/77/46/89/618774689.db2.gz ZCSUWXJSVPTVFH-UHFFFAOYSA-N 3 0 289.467 2.570 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000892944012 618776782 /nfs/dbraw/zinc/77/67/82/618776782.db2.gz MRRJRBMYOXARSW-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@H]1CCC[C@@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000784534959 618780440 /nfs/dbraw/zinc/78/04/40/618780440.db2.gz YWGZSNTXLHCYRP-ZWKOTPCHSA-N 2 0 295.515 2.820 20 0 CFADRP CCc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000893006846 618801670 /nfs/dbraw/zinc/80/16/70/618801670.db2.gz FCPXLUHHBPSDQD-UHFFFAOYSA-N 2 0 260.425 2.723 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924618327 618808309 /nfs/dbraw/zinc/80/83/09/618808309.db2.gz XXHQXOSLVQIGDI-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000893077746 618823089 /nfs/dbraw/zinc/82/30/89/618823089.db2.gz KLIZEHSYCLZRQN-INIZCTEOSA-N 2 0 296.842 2.959 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccccc1F ZINC000893087235 618825317 /nfs/dbraw/zinc/82/53/17/618825317.db2.gz AJBIWQCAXCJWLI-ZDUSSCGKSA-N 2 0 280.387 2.524 20 0 CFADRP CC(C)OCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925505390 618833630 /nfs/dbraw/zinc/83/36/30/618833630.db2.gz NTIZSGFVLWTVFN-CVEARBPZSA-N 2 0 268.445 2.559 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCCC1 ZINC000925508709 618841802 /nfs/dbraw/zinc/84/18/02/618841802.db2.gz IQJSPBBQIUUFHB-LSDHHAIUSA-N 2 0 281.488 2.747 20 0 CFADRP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCCC1 ZINC000925508700 618841892 /nfs/dbraw/zinc/84/18/92/618841892.db2.gz IQJSPBBQIUUFHB-CABCVRRESA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)[NH+](CCN[C@H](c1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000925509644 618844680 /nfs/dbraw/zinc/84/46/80/618844680.db2.gz NKHRYBGYYCAJGN-RDJZCZTQSA-N 2 0 277.456 2.783 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)C12CCC2 ZINC000925511067 618849343 /nfs/dbraw/zinc/84/93/43/618849343.db2.gz FOBZHIWPVXZCHR-NCOADZHNSA-N 2 0 286.419 2.766 20 0 CFADRP Cc1cccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925514956 618853808 /nfs/dbraw/zinc/85/38/08/618853808.db2.gz BWUWBXRGTBSWLK-PMPSAXMXSA-N 2 0 258.409 2.861 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925515862 618854650 /nfs/dbraw/zinc/85/46/50/618854650.db2.gz JNIQOXKOYNJGGI-CVEARBPZSA-N 3 0 281.488 2.604 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)C[C@@H]([NH3+])C1 ZINC000925516685 618855997 /nfs/dbraw/zinc/85/59/97/618855997.db2.gz IMZQPNWSUZEEEQ-QLFBSQMISA-N 2 0 296.842 2.869 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC1CCCCC1 ZINC000925519769 618857987 /nfs/dbraw/zinc/85/79/87/618857987.db2.gz NOZYBADDLIMBLY-OAHLLOKOSA-N 2 0 266.429 2.600 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925520605 618858957 /nfs/dbraw/zinc/85/89/57/618858957.db2.gz RZHLQBSRAZWFAS-SFHVURJKSA-N 2 0 299.462 2.657 20 0 CFADRP C(CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[NH+]1CCCCC1 ZINC000925520752 618859123 /nfs/dbraw/zinc/85/91/23/618859123.db2.gz SMFUZOXUSHOEEQ-QZTJIDSGSA-N 2 0 293.499 2.620 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925520404 618859182 /nfs/dbraw/zinc/85/91/82/618859182.db2.gz GCWXRMDUGODBJZ-JKSUJKDBSA-N 2 0 258.409 2.705 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[NH2+]C3(C)C)c[nH]c21 ZINC000925523607 618864740 /nfs/dbraw/zinc/86/47/40/618864740.db2.gz ULNQYDUUOBQNET-OAHLLOKOSA-N 2 0 271.408 2.749 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000925524087 618866716 /nfs/dbraw/zinc/86/67/16/618866716.db2.gz QNAJTJXROWUCMM-FUHWJXTLSA-N 2 0 295.515 2.815 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925526252 618871683 /nfs/dbraw/zinc/87/16/83/618871683.db2.gz MITBFLLGWSMUOU-QZTJIDSGSA-N 2 0 293.499 2.620 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCN1CCCCCC1)c1ccccc1 ZINC000925528079 618876741 /nfs/dbraw/zinc/87/67/41/618876741.db2.gz YKTLUQZMWOPFIG-GOSISDBHSA-N 2 0 289.467 2.932 20 0 CFADRP Cc1ccc(OC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000312124876 618886099 /nfs/dbraw/zinc/88/60/99/618886099.db2.gz YQKZLRBHGXXLFZ-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+](C)C ZINC000925536685 618889905 /nfs/dbraw/zinc/88/99/05/618889905.db2.gz QMXOVNINZRINJR-KZNAEPCWSA-N 2 0 295.515 2.721 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCCO)ccc1OC ZINC000182190513 618891526 /nfs/dbraw/zinc/89/15/26/618891526.db2.gz HCRTUEGIMSLACX-AWEZNQCLSA-N 2 0 294.439 2.570 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925541827 618901518 /nfs/dbraw/zinc/90/15/18/618901518.db2.gz KGMSFAQLVGXXNH-UAQNWJKASA-N 2 0 280.481 2.637 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925543098 618902995 /nfs/dbraw/zinc/90/29/95/618902995.db2.gz QKKAWISPLKYWMM-BFHYXJOUSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893267810 618918006 /nfs/dbraw/zinc/91/80/06/618918006.db2.gz NYZXMBTZGOVFMY-GUYCJALGSA-N 2 0 294.414 2.569 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925556270 618921000 /nfs/dbraw/zinc/92/10/00/618921000.db2.gz GRBNVAKYRRHOEZ-YYIAUSFCSA-N 3 0 293.499 2.604 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[C@@H]1CCOC1 ZINC000925687348 618931262 /nfs/dbraw/zinc/93/12/62/618931262.db2.gz JGGRMRPBYRMKHM-DJIMGWMZSA-N 2 0 280.456 2.561 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000925687950 618931700 /nfs/dbraw/zinc/93/17/00/618931700.db2.gz NERDDPZXEBGYBE-YESZJQIVSA-N 2 0 276.424 2.607 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc2c1C[NH2+]C2 ZINC000925698177 618951649 /nfs/dbraw/zinc/95/16/49/618951649.db2.gz CQXDFPZDQIITPM-OALUTQOASA-N 3 0 299.462 2.548 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C12CCC2 ZINC000925702581 618956061 /nfs/dbraw/zinc/95/60/61/618956061.db2.gz ORQBPUUXWPEHMJ-OIISXLGYSA-N 2 0 285.435 2.663 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925702922 618956387 /nfs/dbraw/zinc/95/63/87/618956387.db2.gz BIRPGCLJBXHIPZ-HNNXBMFYSA-N 3 0 287.451 2.661 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000925703858 618957905 /nfs/dbraw/zinc/95/79/05/618957905.db2.gz VQRVNILLWLULSM-NXEZZACHSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1(F)F ZINC000925705416 618959825 /nfs/dbraw/zinc/95/98/25/618959825.db2.gz BTBPKRUGFNNFLS-BFHYXJOUSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1(F)F ZINC000925705419 618959887 /nfs/dbraw/zinc/95/98/87/618959887.db2.gz BTBPKRUGFNNFLS-HZSPNIEDSA-N 2 0 272.383 2.790 20 0 CFADRP c1cc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)co1 ZINC000925707408 618961970 /nfs/dbraw/zinc/96/19/70/618961970.db2.gz ITJBCUMVNQRFDD-HOTGVXAUSA-N 2 0 262.397 2.580 20 0 CFADRP CC(C)(C)N1CC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710928 618964449 /nfs/dbraw/zinc/96/44/49/618964449.db2.gz YGTOYDDDAWNEDW-IAGOWNOFSA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)(C)N1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710932 618964519 /nfs/dbraw/zinc/96/45/19/618964519.db2.gz YGTOYDDDAWNEDW-IRXDYDNUSA-N 2 0 289.467 2.929 20 0 CFADRP COCc1csc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925709980 618964705 /nfs/dbraw/zinc/96/47/05/618964705.db2.gz PTXDXQOULZZJHY-OLZOCXBDSA-N 2 0 282.453 2.890 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000925711178 618965019 /nfs/dbraw/zinc/96/50/19/618965019.db2.gz XEMZIGBUQFGGDI-YJNKXOJESA-N 2 0 250.430 2.918 20 0 CFADRP Cc1cccc2c1[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000925712466 618966782 /nfs/dbraw/zinc/96/67/82/618966782.db2.gz VGAQTIBFGPQLFJ-INIZCTEOSA-N 2 0 256.393 2.834 20 0 CFADRP COc1cccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1C ZINC000925715906 618973546 /nfs/dbraw/zinc/97/35/46/618973546.db2.gz KDTMFYJDEWQNOB-PVAVHDDUSA-N 2 0 288.435 2.870 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1COCC1(C)C)C1CCCCC1 ZINC000313103158 618974941 /nfs/dbraw/zinc/97/49/41/618974941.db2.gz IEJBJSPOKIYKPU-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[C@@H](CCO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925723563 618993120 /nfs/dbraw/zinc/99/31/20/618993120.db2.gz BJSDDFGOCSRDMW-JKSUJKDBSA-N 2 0 264.413 2.607 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCC[C@@H]21 ZINC000893496410 619020289 /nfs/dbraw/zinc/02/02/89/619020289.db2.gz BJZUOLCGMROJEC-FVQBIDKESA-N 2 0 250.430 2.839 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093488535 619030026 /nfs/dbraw/zinc/03/00/26/619030026.db2.gz HHCHMZFDGVRVFL-FGTMMUONSA-N 2 0 293.499 2.760 20 0 CFADRP CS[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)(C)C ZINC000893518087 619032301 /nfs/dbraw/zinc/03/23/01/619032301.db2.gz CSCILHYRIBDKFD-CYBMUJFWSA-N 2 0 258.475 2.696 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000093521169 619034917 /nfs/dbraw/zinc/03/49/17/619034917.db2.gz LJZGCGYRRGHYAL-PVAVHDDUSA-N 2 0 288.435 2.891 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCSCCC(F)(F)F)C12CCC2 ZINC000925734142 619043934 /nfs/dbraw/zinc/04/39/34/619043934.db2.gz NWDRPQMLYRUMGY-ZJUUUORDSA-N 2 0 282.375 2.532 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000925735771 619045039 /nfs/dbraw/zinc/04/50/39/619045039.db2.gz XPTJOXPLKUBODZ-ROYPNMTOSA-N 2 0 292.467 2.545 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752247 619056185 /nfs/dbraw/zinc/05/61/85/619056185.db2.gz UJLSQYFHMRYFOC-PWSUYJOCSA-N 2 0 279.453 2.785 20 0 CFADRP CC(C)(C)[C@H]1CC[C@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752245 619056263 /nfs/dbraw/zinc/05/62/63/619056263.db2.gz UJLSQYFHMRYFOC-CMPLNLGQSA-N 2 0 279.453 2.785 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)CCc2ccco2)CC1 ZINC000925760241 619069613 /nfs/dbraw/zinc/06/96/13/619069613.db2.gz VVZLLARGFBPFTD-CYBMUJFWSA-N 2 0 250.386 2.804 20 0 CFADRP C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC[NH2+]CC1 ZINC000094024673 619072777 /nfs/dbraw/zinc/07/27/77/619072777.db2.gz WTKXMPALFHTUIS-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)n1 ZINC000925764071 619074153 /nfs/dbraw/zinc/07/41/53/619074153.db2.gz FXQHUVCHIZYQIZ-MRVWCRGKSA-N 2 0 279.815 2.521 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC2(CCC2)CO1 ZINC000925775102 619093527 /nfs/dbraw/zinc/09/35/27/619093527.db2.gz OBIYBKHSHVGTAG-QZWWFDLISA-N 2 0 292.467 2.846 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000094368447 619105431 /nfs/dbraw/zinc/10/54/31/619105431.db2.gz UWSCCNDODLKHQA-CABCVRRESA-N 2 0 278.440 2.552 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H]1C[NH2+]C[C@H]1C ZINC000925783339 619107024 /nfs/dbraw/zinc/10/70/24/619107024.db2.gz JTTLCGQSSJCQFJ-HFBAOOFYSA-N 2 0 274.408 2.615 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cnn1-c1ccccc1 ZINC000925788724 619113148 /nfs/dbraw/zinc/11/31/48/619113148.db2.gz BSHJNUKFQCYUPW-FMKPAKJESA-N 2 0 298.434 2.687 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925790357 619114826 /nfs/dbraw/zinc/11/48/26/619114826.db2.gz HLYSMHHQTZZXGR-IPYPFGDCSA-N 2 0 262.397 2.591 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000925791851 619116882 /nfs/dbraw/zinc/11/68/82/619116882.db2.gz SPZIWJOWXDNFGP-UHOFOFEASA-N 2 0 274.408 2.518 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000925800941 619121837 /nfs/dbraw/zinc/12/18/37/619121837.db2.gz HECNNIBNQGFDJU-QPSCCSFWSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801792 619122225 /nfs/dbraw/zinc/12/22/25/619122225.db2.gz XGOXUVJUGOKGGA-FRRDWIJNSA-N 2 0 258.475 2.742 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C(C1CCC1)C1CCC1 ZINC000925802432 619122745 /nfs/dbraw/zinc/12/27/45/619122745.db2.gz GPNHPEPYEHRHDV-IUODEOHRSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000925808023 619127675 /nfs/dbraw/zinc/12/76/75/619127675.db2.gz MITDFFJZVBMJLH-RDJZCZTQSA-N 3 0 281.488 2.667 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCCC1 ZINC000925809956 619128472 /nfs/dbraw/zinc/12/84/72/619128472.db2.gz LPJAFFCWXXVJFO-KRWDZBQOSA-N 2 0 281.488 2.748 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925809775 619128485 /nfs/dbraw/zinc/12/84/85/619128485.db2.gz WNWUIYQJBUMQHR-NVXWUHKLSA-N 3 0 281.488 2.619 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811977 619130763 /nfs/dbraw/zinc/13/07/63/619130763.db2.gz LOYOSIADUTVSOR-WBVHZDCISA-N 2 0 281.488 2.604 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816123 619135425 /nfs/dbraw/zinc/13/54/25/619135425.db2.gz VQFVIPFEWIEDCT-PBHICJAKSA-N 2 0 287.451 2.556 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)nc1 ZINC000925819842 619139975 /nfs/dbraw/zinc/13/99/75/619139975.db2.gz CEYSTZQLBVJEPK-KLZNWCGWSA-N 2 0 271.408 2.510 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822162 619141669 /nfs/dbraw/zinc/14/16/69/619141669.db2.gz JDTSQPUUAYUUDQ-NALMEZQBSA-N 3 0 293.499 2.761 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000925827615 619157471 /nfs/dbraw/zinc/15/74/71/619157471.db2.gz AIIVDZXDQWOWAH-RNJOBUHISA-N 2 0 294.361 2.607 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925827916 619157961 /nfs/dbraw/zinc/15/79/61/619157961.db2.gz YEAMXMUCEYQPGX-BZZMCLGOSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925832370 619163093 /nfs/dbraw/zinc/16/30/93/619163093.db2.gz OVOHMSILWSSTFC-ZRUFSTJUSA-N 2 0 264.335 2.680 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925836031 619167292 /nfs/dbraw/zinc/16/72/92/619167292.db2.gz ZKOBOEIOSATLPK-RNJOBUHISA-N 2 0 294.361 2.736 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925838006 619169218 /nfs/dbraw/zinc/16/92/18/619169218.db2.gz JYRNJFGPAFILHT-ZGKBOVNRSA-N 2 0 280.362 2.765 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000261544702 619169899 /nfs/dbraw/zinc/16/98/99/619169899.db2.gz ZCIOBACGHGWGRA-IGQOVBAYSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000261555674 619170204 /nfs/dbraw/zinc/17/02/04/619170204.db2.gz BQBBUSSQABLJFY-MRVWCRGKSA-N 2 0 262.422 2.811 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000261574047 619171997 /nfs/dbraw/zinc/17/19/97/619171997.db2.gz WUDKQQMRQCESFL-OAHLLOKOSA-N 2 0 262.397 2.563 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842014 619175136 /nfs/dbraw/zinc/17/51/36/619175136.db2.gz WIMONWRWXLOXGG-XOYOTBSWSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)OCO2 ZINC000925842365 619175245 /nfs/dbraw/zinc/17/52/45/619175245.db2.gz MHIMFMSWFXZTIR-JCURWCKSSA-N 2 0 288.391 2.598 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842674 619175748 /nfs/dbraw/zinc/17/57/48/619175748.db2.gz BOXOVRSKWHGMMY-SJORKVTESA-N 2 0 281.488 2.620 20 0 CFADRP COCC1(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CCC1 ZINC000261610952 619177462 /nfs/dbraw/zinc/17/74/62/619177462.db2.gz SKFAMUBBJYCEHP-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261634223 619182132 /nfs/dbraw/zinc/18/21/32/619182132.db2.gz DRNKQXQNAPCILH-YLFCFFPRSA-N 2 0 281.488 2.617 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852694 619183486 /nfs/dbraw/zinc/18/34/86/619183486.db2.gz FVYPBTGPOBJVFY-HUUCEWRRSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925856244 619185438 /nfs/dbraw/zinc/18/54/38/619185438.db2.gz DXXXOKFCVODHPO-SOEBMCCKSA-N 3 0 279.472 2.514 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925856380 619185761 /nfs/dbraw/zinc/18/57/61/619185761.db2.gz FMERNRSXDNADBU-QLOLRVAOSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925861697 619187426 /nfs/dbraw/zinc/18/74/26/619187426.db2.gz RWXGHYHHZLSSCM-CHWSQXEVSA-N 2 0 256.459 2.912 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnccc1N ZINC000925860921 619187611 /nfs/dbraw/zinc/18/76/11/619187611.db2.gz MDMYZATWXCXDCD-TUBUQKNSSA-N 2 0 288.439 2.552 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925861702 619187615 /nfs/dbraw/zinc/18/76/15/619187615.db2.gz RWXGHYHHZLSSCM-STQMWFEESA-N 2 0 256.459 2.912 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000925861880 619188037 /nfs/dbraw/zinc/18/80/37/619188037.db2.gz USJYGSGIBBPYSJ-YIYPIFLZSA-N 2 0 256.459 2.781 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925871967 619193351 /nfs/dbraw/zinc/19/33/51/619193351.db2.gz MLYFGIBLYNSSNY-VQHPVUNQSA-N 2 0 285.435 2.969 20 0 CFADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])C2)n1 ZINC000925873689 619194626 /nfs/dbraw/zinc/19/46/26/619194626.db2.gz RIPBTIZNEWXDNJ-ZOBORPQBSA-N 2 0 292.427 2.518 20 0 CFADRP COC[C@H](C[NH2+][C@H](c1ccccc1)[C@@H](C)N)C(C)C ZINC000925873584 619194704 /nfs/dbraw/zinc/19/47/04/619194704.db2.gz JSZRWJXGUYBKCV-KBMXLJTQSA-N 2 0 264.413 2.583 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cccc2c1OCC2 ZINC000925874634 619195557 /nfs/dbraw/zinc/19/55/57/619195557.db2.gz LSBUVOQOYMGWLW-CBHXASLJSA-N 2 0 286.419 2.617 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(C)c1OC ZINC000925879840 619200477 /nfs/dbraw/zinc/20/04/77/619200477.db2.gz DMUYDRGKAXHCMX-LBPRGKRZSA-N 2 0 280.412 2.619 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879699 619200526 /nfs/dbraw/zinc/20/05/26/619200526.db2.gz INXUDPABPIDEBX-WWGRRREGSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCS2 ZINC000925882492 619202319 /nfs/dbraw/zinc/20/23/19/619202319.db2.gz NHBFAPHUPMDJLH-XUJVJEKNSA-N 2 0 292.448 2.949 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ocnc2C)CC1 ZINC000893939730 619248402 /nfs/dbraw/zinc/24/84/02/619248402.db2.gz GLMMPHKHEBRFKB-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP CCC[NH+](CCC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667472281 619265433 /nfs/dbraw/zinc/26/54/33/619265433.db2.gz BAWXPPPZAIFKFV-UHFFFAOYSA-N 2 0 258.369 2.889 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000894242125 619277820 /nfs/dbraw/zinc/27/78/20/619277820.db2.gz SNDDRFGZGYFXOE-MRXNPFEDSA-N 2 0 276.424 2.653 20 0 CFADRP CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924910657 619277867 /nfs/dbraw/zinc/27/78/67/619277867.db2.gz VKMMVPXFIUQARR-KBPBESRZSA-N 2 0 264.413 2.824 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924956733 619301825 /nfs/dbraw/zinc/30/18/25/619301825.db2.gz YFXTZKRXFFQDIX-CYBMUJFWSA-N 2 0 290.407 2.798 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924964163 619306558 /nfs/dbraw/zinc/30/65/58/619306558.db2.gz JKPCGYAGIPENIC-JKSUJKDBSA-N 2 0 283.504 2.529 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000924965497 619308349 /nfs/dbraw/zinc/30/83/49/619308349.db2.gz XRESTXRRDAUKBC-ZDUSSCGKSA-N 2 0 276.428 2.601 20 0 CFADRP CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924995060 619322870 /nfs/dbraw/zinc/32/28/70/619322870.db2.gz ZUTXURUFOORSPV-CZUORRHYSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCSCc1ccccc1 ZINC000261940614 619336220 /nfs/dbraw/zinc/33/62/20/619336220.db2.gz MODLLWMNNRCLNC-UKRRQHHQSA-N 2 0 264.438 2.589 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC2(C1)CCCC2 ZINC000925022508 619339583 /nfs/dbraw/zinc/33/95/83/619339583.db2.gz GXIPPQYFGGTPSU-INIZCTEOSA-N 2 0 280.456 2.536 20 0 CFADRP CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925045856 619355916 /nfs/dbraw/zinc/35/59/16/619355916.db2.gz YUHMIAPBUVYWBU-PBHICJAKSA-N 2 0 278.440 2.806 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261994404 619360601 /nfs/dbraw/zinc/36/06/01/619360601.db2.gz KQMQNPREWUCKRS-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1(CC)CC ZINC000262016423 619373060 /nfs/dbraw/zinc/37/30/60/619373060.db2.gz MSHGVBLCRDPJTO-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@H+](Cc1ccc(N(C)CC)nc1)C1CC[NH2+]CC1 ZINC000262023364 619378518 /nfs/dbraw/zinc/37/85/18/619378518.db2.gz WIPABQWOIOLOSQ-UHFFFAOYSA-N 2 0 290.455 2.502 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000894478964 619396941 /nfs/dbraw/zinc/39/69/41/619396941.db2.gz HAWXGFFJAGRALX-IIIMJFFVSA-N 2 0 294.483 2.855 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000894515619 619406336 /nfs/dbraw/zinc/40/63/36/619406336.db2.gz WNLGFMYYRHUIKF-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP COc1cc(CC[NH2+]CC2CC[NH+](C)CC2)ccc1Cl ZINC000894646987 619435404 /nfs/dbraw/zinc/43/54/04/619435404.db2.gz NCHXKYRXVIRGIN-UHFFFAOYSA-N 2 0 296.842 2.823 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000894731708 619452358 /nfs/dbraw/zinc/45/23/58/619452358.db2.gz UJJFOKBKGZHEQN-AAEUAGOBSA-N 2 0 291.277 2.870 20 0 CFADRP CSc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000894783800 619466597 /nfs/dbraw/zinc/46/65/97/619466597.db2.gz XUXXVGDBYQCRDE-OCCSQVGLSA-N 2 0 280.437 2.918 20 0 CFADRP CCCSC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894860581 619487591 /nfs/dbraw/zinc/48/75/91/619487591.db2.gz FCUAPZCJDPMMNZ-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894861440 619488495 /nfs/dbraw/zinc/48/84/95/619488495.db2.gz ULQUZHXWDRHKLU-INIZCTEOSA-N 2 0 292.471 2.902 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925095985 619503298 /nfs/dbraw/zinc/50/32/98/619503298.db2.gz XKVDPDKVANBOTC-HDWXEKECSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000925101777 619517793 /nfs/dbraw/zinc/51/77/93/619517793.db2.gz JQYCSCKYKBMTQN-BJCAYOAGSA-N 2 0 294.483 2.758 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000925101779 619517868 /nfs/dbraw/zinc/51/78/68/619517868.db2.gz JQYCSCKYKBMTQN-PQAIKRCPSA-N 2 0 294.483 2.758 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](C3CCCC3)C2)CC1 ZINC000894972404 619519031 /nfs/dbraw/zinc/51/90/31/619519031.db2.gz BESSGFRMAOUUFB-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](C3CCCC3)C2)CC1 ZINC000894972406 619519382 /nfs/dbraw/zinc/51/93/82/619519382.db2.gz BESSGFRMAOUUFB-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)CC1 ZINC000895009150 619525258 /nfs/dbraw/zinc/52/52/58/619525258.db2.gz SNPLEKGZSVWJPT-UHFFFAOYSA-N 2 0 298.471 2.676 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000895587568 619561505 /nfs/dbraw/zinc/56/15/05/619561505.db2.gz ZIYGDDLJMCXNAZ-AWEZNQCLSA-N 2 0 282.378 2.829 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000895671054 619582752 /nfs/dbraw/zinc/58/27/52/619582752.db2.gz MOMLUCDFOYLWQC-UHFFFAOYSA-N 2 0 284.447 2.962 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cnc1F ZINC000895823576 619615302 /nfs/dbraw/zinc/61/53/02/619615302.db2.gz RDPWHWCNOZYROC-UHFFFAOYSA-N 2 0 279.403 2.882 20 0 CFADRP Cc1csc([C@@H]2CC[N@@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC000895938512 619640232 /nfs/dbraw/zinc/64/02/32/619640232.db2.gz HHUFZSTVJWPTNK-CQSZACIVSA-N 2 0 279.453 2.583 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]CC1CCSCC1)c1cccnc1 ZINC000896717184 619797422 /nfs/dbraw/zinc/79/74/22/619797422.db2.gz PDPBJHSGVDUFRN-INIZCTEOSA-N 2 0 293.480 2.807 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(F)(C3CC3)CC2)CC1 ZINC000896945744 619902443 /nfs/dbraw/zinc/90/24/43/619902443.db2.gz JJVHDGIMJGTWFF-UHFFFAOYSA-N 2 0 254.393 2.542 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2nccn2C2CC2)CC1 ZINC000896952200 619903876 /nfs/dbraw/zinc/90/38/76/619903876.db2.gz VFPZHJSCYZBSPM-UHFFFAOYSA-N 2 0 288.439 2.715 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000925140609 619938551 /nfs/dbraw/zinc/93/85/51/619938551.db2.gz JZQACMLQXGOYKA-RDJZCZTQSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925151657 619981121 /nfs/dbraw/zinc/98/11/21/619981121.db2.gz NDEXTLGEQZNAFG-QZTJIDSGSA-N 2 0 293.499 2.715 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000163275792 620005835 /nfs/dbraw/zinc/00/58/35/620005835.db2.gz YJKHATGXEFTCTD-RYUDHWBXSA-N 2 0 267.804 2.727 20 0 CFADRP CCON1CCC([NH2+]CCC[NH+](C(C)C)C(C)C)CC1 ZINC000925197897 620020028 /nfs/dbraw/zinc/02/00/28/620020028.db2.gz WTAHDUYIBXUMMA-UHFFFAOYSA-N 2 0 285.476 2.501 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1cccc2c1OCO2 ZINC000925231021 620053707 /nfs/dbraw/zinc/05/37/07/620053707.db2.gz GONDWVIDDDOQJI-CYBMUJFWSA-N 2 0 299.374 2.963 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000925241005 620062350 /nfs/dbraw/zinc/06/23/50/620062350.db2.gz NBEAFQVEWVGJHI-MLGOLLRUSA-N 2 0 298.402 2.539 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000897453067 620174615 /nfs/dbraw/zinc/17/46/15/620174615.db2.gz ZYTHCLWZOKYODJ-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841006191 620212704 /nfs/dbraw/zinc/21/27/04/620212704.db2.gz CKTBOSARXQWLPK-CVEARBPZSA-N 2 0 298.434 2.692 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC000897621848 620261308 /nfs/dbraw/zinc/26/13/08/620261308.db2.gz WRCOMDJVENZRSV-BDXSIMOUSA-N 2 0 270.420 2.674 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000841035022 620266513 /nfs/dbraw/zinc/26/65/13/620266513.db2.gz IFFQPOPDEJUDQH-UHFFFAOYSA-N 2 0 258.340 2.617 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)[C@@H](C)C1 ZINC000897795027 620286206 /nfs/dbraw/zinc/28/62/06/620286206.db2.gz LUBNKYLONCOTRS-MJBXVCDLSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC34CC(O)C4)CC2)C1 ZINC000897848496 620293380 /nfs/dbraw/zinc/29/33/80/620293380.db2.gz MSEFAQMDVHATKD-ZQAWHEJCSA-N 2 0 292.467 2.533 20 0 CFADRP COC1CCC(C[NH+]2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000897982745 620318208 /nfs/dbraw/zinc/31/82/08/620318208.db2.gz QQJPPWQWZNOPGP-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C(C(C)C)C(C)C)CC1 ZINC000924661572 620435257 /nfs/dbraw/zinc/43/52/57/620435257.db2.gz NQNUSRXWWWBPGO-QGZVFWFLSA-N 2 0 297.531 2.920 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccnnc1 ZINC000924682279 620439347 /nfs/dbraw/zinc/43/93/47/620439347.db2.gz BSEMBYQSCPTTLZ-XHSDSOJGSA-N 2 0 290.455 2.885 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000927037243 620444862 /nfs/dbraw/zinc/44/48/62/620444862.db2.gz MGKADIIXBKXNBA-GMRIPVOYSA-N 2 0 278.440 2.551 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000927037248 620444992 /nfs/dbraw/zinc/44/49/92/620444992.db2.gz MGKADIIXBKXNBA-YZUHTNEWSA-N 2 0 278.440 2.551 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924698301 620445038 /nfs/dbraw/zinc/44/50/38/620445038.db2.gz YFJIOJXJIJTMDF-LVQVYYBASA-N 2 0 268.445 2.533 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713803 620451138 /nfs/dbraw/zinc/45/11/38/620451138.db2.gz TWWFULDRTWOMBH-IRXDYDNUSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924726671 620455597 /nfs/dbraw/zinc/45/55/97/620455597.db2.gz PWADBEDXDAWEGG-HOCLYGCPSA-N 2 0 276.424 2.825 20 0 CFADRP COC(=O)C1(CCCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000898408484 620460686 /nfs/dbraw/zinc/46/06/86/620460686.db2.gz RFSGLYCKMPTVTG-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000898444234 620465686 /nfs/dbraw/zinc/46/56/86/620465686.db2.gz HYKZSKMEGHFLBR-HZPDHXFCSA-N 2 0 292.398 2.811 20 0 CFADRP C[C@@H](NC(=[NH2+])NCCCCC[NH+]1CCCCC1)C1CC1 ZINC000899267521 620537559 /nfs/dbraw/zinc/53/75/59/620537559.db2.gz PUGCOGVLYMTTLE-CQSZACIVSA-N 2 0 280.460 2.555 20 0 CFADRP [NH3+]C[C@@H](c1nc(C2([NH3+])CCCC2)no1)C1CCCCCC1 ZINC000900005302 620621587 /nfs/dbraw/zinc/62/15/87/620621587.db2.gz FLHHIIDTCAMQOM-CYBMUJFWSA-N 2 0 292.427 2.810 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)ccc2NC)C1 ZINC000902092290 620976940 /nfs/dbraw/zinc/97/69/40/620976940.db2.gz CVZPEQOCPNPDPH-HNNXBMFYSA-N 2 0 275.440 2.858 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902321307 621024060 /nfs/dbraw/zinc/02/40/60/621024060.db2.gz UETKIILNKCLELO-OAHLLOKOSA-N 2 0 276.424 2.606 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000902301932 621026709 /nfs/dbraw/zinc/02/67/09/621026709.db2.gz NAGAYUFDUOMVFP-JKSUJKDBSA-N 2 0 275.440 2.999 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCCNc2ccccn2)C1 ZINC000902316280 621030982 /nfs/dbraw/zinc/03/09/82/621030982.db2.gz BOGGJGOOJQJDJM-OAHLLOKOSA-N 2 0 290.455 2.642 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc(Cl)nc2)C1 ZINC000902345841 621034265 /nfs/dbraw/zinc/03/42/65/621034265.db2.gz BDIWAACXFIZGSY-ZDUSSCGKSA-N 2 0 281.831 2.645 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCCS1 ZINC000902345860 621034288 /nfs/dbraw/zinc/03/42/88/621034288.db2.gz MUOOIAMILPSRGW-GXTWGEPZSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346966 621034535 /nfs/dbraw/zinc/03/45/35/621034535.db2.gz NOHZYESELYBBDF-HYVNUMGLSA-N 2 0 290.451 2.866 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902328359 621037901 /nfs/dbraw/zinc/03/79/01/621037901.db2.gz HHCURPBGPMRDBX-HNNXBMFYSA-N 2 0 276.424 2.742 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCOCC1 ZINC000902332881 621039951 /nfs/dbraw/zinc/03/99/51/621039951.db2.gz GVBNZJKGXSDMFU-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccsc1 ZINC000902334587 621040135 /nfs/dbraw/zinc/04/01/35/621040135.db2.gz QZSDZCRTWXXDQZ-HUUCEWRRSA-N 2 0 295.496 2.719 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1cccc(F)c1 ZINC000902334431 621040279 /nfs/dbraw/zinc/04/02/79/621040279.db2.gz TXHFXHVEBAKWJX-HIFRSBDPSA-N 2 0 294.414 2.961 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)C1 ZINC000902338516 621042087 /nfs/dbraw/zinc/04/20/87/621042087.db2.gz MLDFETIAOWTTIZ-OAHLLOKOSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000902338198 621042324 /nfs/dbraw/zinc/04/23/24/621042324.db2.gz MGMRDYYXMCEKOX-BZUAXINKSA-N 2 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000902373150 621044777 /nfs/dbraw/zinc/04/47/77/621044777.db2.gz AEWWMFKFTOAQEY-CHWSQXEVSA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC[C@@H]2CCCCO2)C1 ZINC000902373825 621045810 /nfs/dbraw/zinc/04/58/10/621045810.db2.gz FYQXPYBIGLLJKI-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902375702 621046565 /nfs/dbraw/zinc/04/65/65/621046565.db2.gz XUIRBEMJWKVZTP-WCQYABFASA-N 2 0 281.469 2.923 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccnn1C ZINC000902378206 621047003 /nfs/dbraw/zinc/04/70/03/621047003.db2.gz VJMJGVYDEYZYTL-GJZGRUSLSA-N 2 0 292.471 2.528 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000902358585 621051956 /nfs/dbraw/zinc/05/19/56/621051956.db2.gz DECOPOWLICAHMA-SNVBAGLBSA-N 2 0 252.324 2.697 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000902365106 621054355 /nfs/dbraw/zinc/05/43/55/621054355.db2.gz WTPBQZQNEDGKSJ-KRWDZBQOSA-N 2 0 272.436 2.769 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1C ZINC000902406346 621054879 /nfs/dbraw/zinc/05/48/79/621054879.db2.gz SFTMKMVPUNCLGZ-DAXOMENPSA-N 2 0 274.408 2.924 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)C1 ZINC000902385847 621060094 /nfs/dbraw/zinc/06/00/94/621060094.db2.gz AOXVJGQKEJPKJD-HZPDHXFCSA-N 2 0 282.472 2.543 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000902389176 621061717 /nfs/dbraw/zinc/06/17/17/621061717.db2.gz VPGOTWKMGDMVRH-NWDGAFQWSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1cnc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000902390809 621062147 /nfs/dbraw/zinc/06/21/47/621062147.db2.gz BORMKWFZRPQZHA-HNNXBMFYSA-N 2 0 275.440 2.609 20 0 CFADRP Cc1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)nc1C ZINC000902391657 621062694 /nfs/dbraw/zinc/06/26/94/621062694.db2.gz YZLDFRITHHAXON-CQSZACIVSA-N 2 0 261.413 2.566 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CO1 ZINC000902392774 621063208 /nfs/dbraw/zinc/06/32/08/621063208.db2.gz LZSHBQWQEPYEMJ-FFSVYQOJSA-N 2 0 298.377 2.902 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902392834 621063255 /nfs/dbraw/zinc/06/32/55/621063255.db2.gz KGGVNAPSONITRA-CZUORRHYSA-N 3 0 275.440 2.574 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)C1 ZINC000902400851 621067464 /nfs/dbraw/zinc/06/74/64/621067464.db2.gz WMKLMTQVVBSFGL-GDBMZVCRSA-N 2 0 273.424 2.624 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402931 621068591 /nfs/dbraw/zinc/06/85/91/621068591.db2.gz POAILPDBIOGCTH-ARILJUKYSA-N 2 0 250.430 2.646 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902403270 621068715 /nfs/dbraw/zinc/06/87/15/621068715.db2.gz QSTATXCCYSMPOP-UONOGXRCSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902416464 621070723 /nfs/dbraw/zinc/07/07/23/621070723.db2.gz ONODNONLWHBUPP-CYBMUJFWSA-N 2 0 289.423 2.608 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000902428905 621076038 /nfs/dbraw/zinc/07/60/38/621076038.db2.gz HWULLMMBCLLFKG-MFKMUULPSA-N 2 0 268.788 2.566 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CCOCC1 ZINC000902431511 621077907 /nfs/dbraw/zinc/07/79/07/621077907.db2.gz MGTPEXZRCDYHBS-DZGCQCFKSA-N 2 0 268.445 2.546 20 0 CFADRP N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000902436516 621079853 /nfs/dbraw/zinc/07/98/53/621079853.db2.gz YYZMQPVYBJBSBT-IPMKNSEASA-N 2 0 295.430 2.681 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCON)CC1 ZINC000902414863 621085312 /nfs/dbraw/zinc/08/53/12/621085312.db2.gz FAZQKFKARUQIAR-UHFFFAOYSA-N 2 0 285.476 2.536 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902447619 621089966 /nfs/dbraw/zinc/08/99/66/621089966.db2.gz ULFOWHVLZPGFCH-PRTUASRFSA-N 2 0 291.464 2.926 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902453421 621092943 /nfs/dbraw/zinc/09/29/43/621092943.db2.gz CPVFFKGMQXYNNH-RWMBFGLXSA-N 2 0 260.372 2.919 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCS1 ZINC000902454756 621093744 /nfs/dbraw/zinc/09/37/44/621093744.db2.gz VAUSZAVLOQBUAM-IGQOVBAYSA-N 2 0 268.470 2.638 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)[C@H]2CCC[C@@H]12 ZINC000902455763 621094172 /nfs/dbraw/zinc/09/41/72/621094172.db2.gz MSIQNOYOSYRDQB-QUSNUVHPSA-N 2 0 262.441 2.933 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)c2ccccc21 ZINC000902462352 621096603 /nfs/dbraw/zinc/09/66/03/621096603.db2.gz UZZAMRXYMKUQLV-NKKGCODLSA-N 2 0 284.403 2.680 20 0 CFADRP Cc1noc(C2CCC([NH2+]C[C@H]3CCCCC[NH2+]3)CC2)n1 ZINC000902482974 621109687 /nfs/dbraw/zinc/10/96/87/621109687.db2.gz OGNLSMTXPUUZHW-YMAMQOFZSA-N 2 0 292.427 2.526 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CCS2 ZINC000902484106 621110331 /nfs/dbraw/zinc/11/03/31/621110331.db2.gz CQOKAAHAGTUCPG-MJVIPROJSA-N 2 0 278.421 2.559 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483516 621110396 /nfs/dbraw/zinc/11/03/96/621110396.db2.gz RCFBEBVMLDZUME-QWRGUYRKSA-N 2 0 252.324 2.839 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1OC ZINC000902484751 621110955 /nfs/dbraw/zinc/11/09/55/621110955.db2.gz HIIXIYFBBMLNCV-RGCMKSIDSA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902485152 621111081 /nfs/dbraw/zinc/11/10/81/621111081.db2.gz ICWQXETUCWUUQS-MWQQHZPXSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486144 621111684 /nfs/dbraw/zinc/11/16/84/621111684.db2.gz QFDYUSBVLIMRRH-JKOKRWQUSA-N 2 0 286.341 2.963 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000902486815 621112150 /nfs/dbraw/zinc/11/21/50/621112150.db2.gz CHQVOQVGMXNTKD-GAJTVXKRSA-N 2 0 250.773 2.654 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902487383 621112772 /nfs/dbraw/zinc/11/27/72/621112772.db2.gz UGZAPVAKJFZERC-KLHDSHLOSA-N 2 0 273.424 2.743 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CCCS2 ZINC000902488490 621112789 /nfs/dbraw/zinc/11/27/89/621112789.db2.gz YSVWVXHDNMQKIN-HUBLWGQQSA-N 2 0 292.448 2.949 20 0 CFADRP CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000902520837 621116357 /nfs/dbraw/zinc/11/63/57/621116357.db2.gz PMDOVHCCTFIFFC-YNEHKIRRSA-N 2 0 250.430 2.789 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902724958 621158315 /nfs/dbraw/zinc/15/83/15/621158315.db2.gz MRSNFENPERIJQV-IAGOWNOFSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)C1 ZINC000902753000 621165175 /nfs/dbraw/zinc/16/51/75/621165175.db2.gz NMLHQMPMHBGUIM-ZMSDIMECSA-N 2 0 288.435 2.558 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000902793347 621178210 /nfs/dbraw/zinc/17/82/10/621178210.db2.gz HYVHPJUCFAKTFL-HNNXBMFYSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000902796316 621179661 /nfs/dbraw/zinc/17/96/61/621179661.db2.gz LRCBXLLTHRUDIU-HZPDHXFCSA-N 2 0 298.434 2.865 20 0 CFADRP C(C[NH+]1CCCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903062019 621237489 /nfs/dbraw/zinc/23/74/89/621237489.db2.gz MTQHWBNYLRNWNL-ZNXRZULTSA-N 2 0 291.483 2.610 20 0 CFADRP CC(=O)OCc1cccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000903083315 621246390 /nfs/dbraw/zinc/24/63/90/621246390.db2.gz DSFAJFLWQWSJLW-ZIAGYGMSSA-N 2 0 292.423 2.741 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903091025 621249297 /nfs/dbraw/zinc/24/92/97/621249297.db2.gz LOJQLUOGMSQVLG-JKSUJKDBSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903070851 621250370 /nfs/dbraw/zinc/25/03/70/621250370.db2.gz YFSHSRZYBOUMHQ-JONQDZQNSA-N 2 0 250.430 2.887 20 0 CFADRP CSCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903097716 621251662 /nfs/dbraw/zinc/25/16/62/621251662.db2.gz ISAKMWZMXVEHOE-YPRXJGMQSA-N 2 0 268.470 2.875 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903106096 621255372 /nfs/dbraw/zinc/25/53/72/621255372.db2.gz DZAPXAUCPQDZDC-FCDAJCOYSA-N 2 0 291.483 2.607 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903091625 621257027 /nfs/dbraw/zinc/25/70/27/621257027.db2.gz XQNYLWHISZZKJF-KRWDZBQOSA-N 2 0 273.424 2.854 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903125928 621261550 /nfs/dbraw/zinc/26/15/50/621261550.db2.gz ACRVDVTYWPVYAY-YQAQFAQXSA-N 2 0 294.483 2.777 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@H]1C ZINC000903132541 621264186 /nfs/dbraw/zinc/26/41/86/621264186.db2.gz RUDHYUXEZZSJOC-HOSILWTGSA-N 2 0 250.430 2.909 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CCOC12CCCC2)[NH+]1CCCCC1 ZINC000903146896 621268620 /nfs/dbraw/zinc/26/86/20/621268620.db2.gz CATGDTPGVSRRSI-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)(C)O ZINC000903159187 621270455 /nfs/dbraw/zinc/27/04/55/621270455.db2.gz WSPYKYJEKJZBED-WDVRLDOZSA-N 2 0 280.456 2.529 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@@H]2CCC[C@@H]21 ZINC000903164763 621272233 /nfs/dbraw/zinc/27/22/33/621272233.db2.gz PMPAYUXSANMLHU-NEXGVSGLSA-N 2 0 262.441 2.885 20 0 CFADRP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCCO1 ZINC000903225989 621287236 /nfs/dbraw/zinc/28/72/36/621287236.db2.gz JETKECWJKYLFMZ-YQAQFAQXSA-N 2 0 278.440 2.693 20 0 CFADRP FC1(F)C[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903205402 621287750 /nfs/dbraw/zinc/28/77/50/621287750.db2.gz HXNLUGLNQGRDCZ-WDFAYWTNSA-N 2 0 270.367 2.779 20 0 CFADRP C([NH2+][C@@H]1CCOC12CCCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000903206880 621287801 /nfs/dbraw/zinc/28/78/01/621287801.db2.gz UQKQNRFOWITTHH-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000903211574 621289589 /nfs/dbraw/zinc/28/95/89/621289589.db2.gz HCDJJNQUYUEOCY-HWOWSKLDSA-N 2 0 280.456 2.941 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@H]3C[C@@H]1[C@@H]1C[C@@H]13)C2 ZINC000903214513 621290104 /nfs/dbraw/zinc/29/01/04/621290104.db2.gz VSDHYHNPTNWFDV-PRSAHLJOSA-N 2 0 272.436 2.778 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000903244182 621295583 /nfs/dbraw/zinc/29/55/83/621295583.db2.gz NTYWPUQQAPYXCP-ILXRZTDVSA-N 2 0 250.430 2.885 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903266184 621306494 /nfs/dbraw/zinc/30/64/94/621306494.db2.gz VVUCMKQEVWOMPB-BDFJQQSHSA-N 2 0 292.467 2.675 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(CO)cc2C)[C@H](C)C1 ZINC000903309619 621327461 /nfs/dbraw/zinc/32/74/61/621327461.db2.gz WFLITAOXOQMVLH-CRAIPNDOSA-N 2 0 290.451 2.616 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000903354361 621345615 /nfs/dbraw/zinc/34/56/15/621345615.db2.gz TYHBWANAGXTGMS-KGLIPLIRSA-N 2 0 298.471 2.817 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000903426758 621370268 /nfs/dbraw/zinc/37/02/68/621370268.db2.gz MXYLSNNAHFFDHZ-CABCVRRESA-N 2 0 274.408 2.787 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000903429609 621371017 /nfs/dbraw/zinc/37/10/17/621371017.db2.gz IZSVOULJDSOSSK-VNQPRFMTSA-N 2 0 276.449 2.632 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000903429867 621371892 /nfs/dbraw/zinc/37/18/92/621371892.db2.gz KFJVMRZTOQQQOE-NUEKZKHPSA-N 2 0 276.449 2.904 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000903431071 621371905 /nfs/dbraw/zinc/37/19/05/621371905.db2.gz LFERDDZUGAJJEH-UKPHBRMFSA-N 2 0 276.399 2.688 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433209 621372638 /nfs/dbraw/zinc/37/26/38/621372638.db2.gz UWYVQFNLHFPJFS-PVAVHDDUSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000903432672 621372750 /nfs/dbraw/zinc/37/27/50/621372750.db2.gz JXVPPTBULULKAT-WBVHZDCISA-N 2 0 288.435 2.633 20 0 CFADRP COc1c(C)cc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1C ZINC000903435882 621374006 /nfs/dbraw/zinc/37/40/06/621374006.db2.gz ZGWGPUZQYRKGJJ-ZBFHGGJFSA-N 2 0 276.424 2.871 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000903439786 621376392 /nfs/dbraw/zinc/37/63/92/621376392.db2.gz HTFMTWHCPKTUFL-UMQBVGHOSA-N 2 0 292.467 2.798 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000903439702 621376478 /nfs/dbraw/zinc/37/64/78/621376478.db2.gz LVZNVDSHMRXUBM-UIBIWLFHSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000903440114 621376826 /nfs/dbraw/zinc/37/68/26/621376826.db2.gz TWNXNBJQFVIKMB-RJZRQDKASA-N 2 0 280.437 2.637 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903420680 621377816 /nfs/dbraw/zinc/37/78/16/621377816.db2.gz FMZKVZIUWGYPAW-BPLDGKMQSA-N 2 0 280.362 2.706 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903424676 621379823 /nfs/dbraw/zinc/37/98/23/621379823.db2.gz BCBCUDLDTUSJRI-IUODEOHRSA-N 2 0 257.381 2.727 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903461017 621381415 /nfs/dbraw/zinc/38/14/15/621381415.db2.gz MBMMWYRXNVNMPT-UHFFFAOYSA-N 2 0 257.381 2.729 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC3 ZINC000903463717 621382110 /nfs/dbraw/zinc/38/21/10/621382110.db2.gz JYXRALWLARGQDX-KGLIPLIRSA-N 2 0 283.419 2.962 20 0 CFADRP Cc1ccc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c(C)c1 ZINC000903464962 621383159 /nfs/dbraw/zinc/38/31/59/621383159.db2.gz ZYQNJCKOISESJS-SJORKVTESA-N 2 0 287.451 2.553 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)C[C@@H]21 ZINC000903446115 621384521 /nfs/dbraw/zinc/38/45/21/621384521.db2.gz UDLXFUHWULQKEF-LXFSFDBISA-N 2 0 284.394 2.742 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903447621 621385721 /nfs/dbraw/zinc/38/57/21/621385721.db2.gz ZUVFQEAOOYUCLF-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000903454014 621387347 /nfs/dbraw/zinc/38/73/47/621387347.db2.gz RJGYIEUKXVAVDP-BBWFWOEESA-N 2 0 282.472 2.617 20 0 CFADRP c1cc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2[nH]1 ZINC000903453127 621387501 /nfs/dbraw/zinc/38/75/01/621387501.db2.gz ZYEJLKNPLWOQGO-QGZVFWFLSA-N 2 0 269.392 2.743 20 0 CFADRP Cc1nc([C@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000903455293 621388124 /nfs/dbraw/zinc/38/81/24/621388124.db2.gz SLMLOLQWKSZVPY-MBNYWOFBSA-N 2 0 265.426 2.716 20 0 CFADRP CC[N@H+](CCC1CCN(C[C@H]2CCC[NH2+]2)CC1)CC(C)C ZINC000903457052 621388673 /nfs/dbraw/zinc/38/86/73/621388673.db2.gz LSSPHVWYMDQEFJ-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457436 621388708 /nfs/dbraw/zinc/38/87/08/621388708.db2.gz SNEHCOMZBHQQQI-HIFRSBDPSA-N 2 0 284.407 2.636 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482042 621392459 /nfs/dbraw/zinc/39/24/59/621392459.db2.gz VGXXQHWGLXBWEE-XUJVJEKNSA-N 2 0 259.397 2.649 20 0 CFADRP Cc1ccccc1CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496765 621394584 /nfs/dbraw/zinc/39/45/84/621394584.db2.gz BYPOQFWEJITGSU-NVXWUHKLSA-N 2 0 260.425 2.844 20 0 CFADRP c1csc(C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000903565163 621396749 /nfs/dbraw/zinc/39/67/49/621396749.db2.gz DZTQUBWKMYZERU-HNNXBMFYSA-N 2 0 293.480 2.787 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000903575397 621398190 /nfs/dbraw/zinc/39/81/90/621398190.db2.gz MYFCQFJEJBLOPG-HNNXBMFYSA-N 2 0 261.413 2.539 20 0 CFADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000903717535 621424990 /nfs/dbraw/zinc/42/49/90/621424990.db2.gz REBUHDTXAYNJBR-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[N@@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718427 621425134 /nfs/dbraw/zinc/42/51/34/621425134.db2.gz MHTIFLOCDPTDFX-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP Cc1cc([C@H]2CCCN2C[C@H]2CCCC[NH2+]C2)no1 ZINC000903723551 621426637 /nfs/dbraw/zinc/42/66/37/621426637.db2.gz IKLWBBPZAOLSBZ-DZGCQCFKSA-N 2 0 263.385 2.510 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903723025 621426909 /nfs/dbraw/zinc/42/69/09/621426909.db2.gz SDZJZOAIPVVCGY-OAHLLOKOSA-N 2 0 264.388 2.690 20 0 CFADRP C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723559 621427039 /nfs/dbraw/zinc/42/70/39/621427039.db2.gz INKNVTNUCZUVFL-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724246 621427345 /nfs/dbraw/zinc/42/73/45/621427345.db2.gz MOVJDWTYTGQBNW-XYJFISCASA-N 2 0 288.435 2.756 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC2(CCCCC2)CC1 ZINC000903727565 621428026 /nfs/dbraw/zinc/42/80/26/621428026.db2.gz VGFSGQAPVKCMOQ-AEFFLSMTSA-N 2 0 292.467 2.801 20 0 CFADRP CCC1(C)CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725836 621428132 /nfs/dbraw/zinc/42/81/32/621428132.db2.gz IBQXBMOWHMDMPY-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903725636 621428222 /nfs/dbraw/zinc/42/82/22/621428222.db2.gz DYDPZVIHLCIAKJ-YOEHRIQHSA-N 2 0 274.408 2.919 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729005 621428653 /nfs/dbraw/zinc/42/86/53/621428653.db2.gz JCYXZFPSEDXUKA-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903729181 621429369 /nfs/dbraw/zinc/42/93/69/621429369.db2.gz KFZCSPPZAQEUKL-KBPBESRZSA-N 2 0 262.397 2.775 20 0 CFADRP CC(C)[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730614 621429698 /nfs/dbraw/zinc/42/96/98/621429698.db2.gz XZUROCNJYXUCOE-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732598 621430184 /nfs/dbraw/zinc/43/01/84/621430184.db2.gz GSLLEOGZWBGNNG-BBWFWOEESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccccc1CF ZINC000903753719 621433229 /nfs/dbraw/zinc/43/32/29/621433229.db2.gz XPCMVBUUIRVHGS-LALPHHSUSA-N 2 0 250.361 2.632 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903752033 621433261 /nfs/dbraw/zinc/43/32/61/621433261.db2.gz OZZHJKUXPKLCFT-NVXWUHKLSA-N 2 0 273.424 2.662 20 0 CFADRP C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751507 621433390 /nfs/dbraw/zinc/43/33/90/621433390.db2.gz GASMHNPXBBPAAK-BHYGNILZSA-N 2 0 280.456 2.656 20 0 CFADRP CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903763279 621436739 /nfs/dbraw/zinc/43/67/39/621436739.db2.gz JOYITHJYSRPMGI-ZACQAIPSSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766856 621437068 /nfs/dbraw/zinc/43/70/68/621437068.db2.gz SMAFQBCDMSUCMV-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903758524 621438852 /nfs/dbraw/zinc/43/88/52/621438852.db2.gz LRMJJMSPMAHWOO-OAGGEKHMSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903756911 621438856 /nfs/dbraw/zinc/43/88/56/621438856.db2.gz XDMDGFBSQMZXBE-CABCVRRESA-N 2 0 276.428 2.553 20 0 CFADRP CCCCOCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794327 621439647 /nfs/dbraw/zinc/43/96/47/621439647.db2.gz QMNNOMLINGYNJI-UHFFFAOYSA-N 2 0 290.451 2.796 20 0 CFADRP c1ccc2c(c1)C[N@H+](C[C@@H]1CCCC[NH2+]C1)C[C@@H]1CCCN21 ZINC000903784249 621441420 /nfs/dbraw/zinc/44/14/20/621441420.db2.gz MMSRTWBLJFEYCQ-AEFFLSMTSA-N 2 0 299.462 2.861 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000903783547 621441581 /nfs/dbraw/zinc/44/15/81/621441581.db2.gz ZABKDELDSGTVEU-STQMWFEESA-N 2 0 286.778 2.573 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788292 621442483 /nfs/dbraw/zinc/44/24/83/621442483.db2.gz HVONLFLASFHOSD-GOEBONIOSA-N 2 0 258.409 2.851 20 0 CFADRP COCCCCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814600 621442940 /nfs/dbraw/zinc/44/29/40/621442940.db2.gz NMWZRSXSZOJNDN-HNNXBMFYSA-N 2 0 268.445 2.787 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCc2ccns2)CCC1 ZINC000903810385 621446443 /nfs/dbraw/zinc/44/64/43/621446443.db2.gz BYUFVLYISMKDDP-CQSZACIVSA-N 2 0 279.453 2.669 20 0 CFADRP [NH3+]CC1([C@@H]2CCCCN2CCC[NH+]2CCCCC2)CCC1 ZINC000903811289 621446702 /nfs/dbraw/zinc/44/67/02/621446702.db2.gz KVJNQGBAQKHSBN-KRWDZBQOSA-N 2 0 293.499 2.846 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccncc2)CCC1 ZINC000903811062 621447092 /nfs/dbraw/zinc/44/70/92/621447092.db2.gz JBZQIIFOOJLQJD-HNNXBMFYSA-N 2 0 259.397 2.565 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2C[C@H]3CCC[C@@H]3O2)CCC1 ZINC000903811271 621447188 /nfs/dbraw/zinc/44/71/88/621447188.db2.gz KRKIPGPAXPSBLI-QZWWFDLISA-N 2 0 292.467 2.928 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@@H]2CCCCO2)CCC1 ZINC000903812653 621447450 /nfs/dbraw/zinc/44/74/50/621447450.db2.gz VPHXKACEUWRAHR-LSDHHAIUSA-N 2 0 266.429 2.539 20 0 CFADRP Cc1cncc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903813249 621447755 /nfs/dbraw/zinc/44/77/55/621447755.db2.gz ZMWHIJHJBRDWCG-MRXNPFEDSA-N 2 0 273.424 2.874 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC000903811859 621447856 /nfs/dbraw/zinc/44/78/56/621447856.db2.gz OTFRCZVKXNKHDZ-GJZGRUSLSA-N 2 0 280.456 2.785 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818399 621448495 /nfs/dbraw/zinc/44/84/95/621448495.db2.gz KDLJLBHUSOPDAE-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000903829931 621451409 /nfs/dbraw/zinc/45/14/09/621451409.db2.gz OGYKRRIQZFZZTC-DZGCQCFKSA-N 2 0 261.413 2.676 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C ZINC000903829856 621451587 /nfs/dbraw/zinc/45/15/87/621451587.db2.gz MQFXHMADZNYYQJ-IJEWVQPXSA-N 2 0 275.440 2.922 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000903831933 621452058 /nfs/dbraw/zinc/45/20/58/621452058.db2.gz OMNGRXSKOOPJNX-HNSVSWJLSA-N 2 0 268.420 2.979 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000903844687 621454953 /nfs/dbraw/zinc/45/49/53/621454953.db2.gz AXTBYBHHQIYMFB-PWXKEOIMSA-N 2 0 256.393 2.876 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892007 621461674 /nfs/dbraw/zinc/46/16/74/621461674.db2.gz FRJVHSUMHRYWCJ-HMQMGEFJSA-N 2 0 280.456 2.798 20 0 CFADRP Cn1cccc1[C@@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878190 621462804 /nfs/dbraw/zinc/46/28/04/621462804.db2.gz SHNYBAIMZMEKMI-BTFYYFJDSA-N 2 0 273.424 2.693 20 0 CFADRP Cn1cccc1[C@H]1CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878191 621462901 /nfs/dbraw/zinc/46/29/01/621462901.db2.gz SHNYBAIMZMEKMI-UCMJJCQDSA-N 2 0 273.424 2.693 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903878124 621462936 /nfs/dbraw/zinc/46/29/36/621462936.db2.gz RJUDNRBSWXRMDW-ALOPSCKCSA-N 2 0 288.435 2.836 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903918751 621473038 /nfs/dbraw/zinc/47/30/38/621473038.db2.gz GVSDRTWBUQIOKY-ONQFOCNCSA-N 3 0 287.451 2.587 20 0 CFADRP C[C@@H](COc1cccc(F)c1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921850 621473854 /nfs/dbraw/zinc/47/38/54/621473854.db2.gz RHCLQSYAZKGFCL-WYQXTGKHSA-N 2 0 292.398 2.713 20 0 CFADRP CC[C@@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Oc1ccccc1C ZINC000903923359 621474391 /nfs/dbraw/zinc/47/43/91/621474391.db2.gz ROUIGJAFIBHEMB-STQMWFEESA-N 2 0 286.366 2.725 20 0 CFADRP COCc1cccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903926015 621475082 /nfs/dbraw/zinc/47/50/82/621475082.db2.gz RBFDKYZXFWOXCR-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000903938888 621475616 /nfs/dbraw/zinc/47/56/16/621475616.db2.gz OTBIWZXFUMZOHG-UHFFFAOYSA-N 2 0 290.329 2.845 20 0 CFADRP Cc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1Br ZINC000903938914 621476551 /nfs/dbraw/zinc/47/65/51/621476551.db2.gz QDSLZJIZMJHPRZ-UHFFFAOYSA-N 2 0 285.229 2.975 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+]CC1C[C@H]3CC[C@@H](C1)[NH2+]3)N2 ZINC000903932095 621476594 /nfs/dbraw/zinc/47/65/94/621476594.db2.gz MDZIXBWYZUADAV-QDZFIJTISA-N 2 0 299.462 2.924 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000903939354 621478224 /nfs/dbraw/zinc/47/82/24/621478224.db2.gz XORWMWDKGSYHIP-UHFFFAOYSA-N 2 0 262.397 2.617 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957722 621479061 /nfs/dbraw/zinc/47/90/61/621479061.db2.gz SXSWPIQEHWGRQW-RYUDHWBXSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)CCCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957723 621479332 /nfs/dbraw/zinc/47/93/32/621479332.db2.gz SXSWPIQEHWGRQW-VXGBXAGGSA-N 2 0 260.372 2.790 20 0 CFADRP c1csc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903960206 621480280 /nfs/dbraw/zinc/48/02/80/621480280.db2.gz YXAIWTJPEPIOCN-AWEZNQCLSA-N 2 0 250.411 2.714 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000903947070 621485303 /nfs/dbraw/zinc/48/53/03/621485303.db2.gz MSNDZZLCYSKJQJ-UHFFFAOYSA-N 2 0 284.407 2.576 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000903947822 621485599 /nfs/dbraw/zinc/48/55/99/621485599.db2.gz IQHXTLPCZTXFEV-DLBZAZTESA-N 2 0 280.456 2.515 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000903948772 621486532 /nfs/dbraw/zinc/48/65/32/621486532.db2.gz UKTXYLIRAOFJOZ-INIZCTEOSA-N 3 0 269.477 2.558 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000903973771 621492393 /nfs/dbraw/zinc/49/23/93/621492393.db2.gz FVQWJCNOSZLNOX-ZWNOBZJWSA-N 2 0 252.427 2.700 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000903978405 621494169 /nfs/dbraw/zinc/49/41/69/621494169.db2.gz OMRCEUQUSSYPJD-UMVBOHGHSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979013 621494309 /nfs/dbraw/zinc/49/43/09/621494309.db2.gz RXBINPWVKGARNE-VNHYZAJKSA-N 2 0 266.454 2.904 20 0 CFADRP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964582 621495806 /nfs/dbraw/zinc/49/58/06/621495806.db2.gz LQCXSDRUVNQRCV-OLZOCXBDSA-N 2 0 272.392 2.940 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000903964686 621495848 /nfs/dbraw/zinc/49/58/48/621495848.db2.gz STQWJDSMXUFHJZ-BSWAZPDLSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000903963889 621495869 /nfs/dbraw/zinc/49/58/69/621495869.db2.gz ITRKASPLBOUPSA-MWQQHZPXSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986934 621498892 /nfs/dbraw/zinc/49/88/92/621498892.db2.gz TZMZMSYIOMZYFD-ZLZJIPBDSA-N 3 0 293.499 2.904 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000903986394 621499084 /nfs/dbraw/zinc/49/90/84/621499084.db2.gz IYUJNAKHNLVBLZ-KLAILNCOSA-N 3 0 279.472 2.515 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccccn2)CCC[NH2+]C1 ZINC000904308766 621570044 /nfs/dbraw/zinc/57/00/44/621570044.db2.gz WNVHNRJFAIUMDA-CVEARBPZSA-N 2 0 259.397 2.608 20 0 CFADRP CC[N@H+](CCc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311883 621570972 /nfs/dbraw/zinc/57/09/72/621570972.db2.gz KCSVFJPWUHFWDB-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000904316416 621572266 /nfs/dbraw/zinc/57/22/66/621572266.db2.gz OIJKZBLEPBZHHW-UAGQMJEPSA-N 2 0 276.399 2.960 20 0 CFADRP C[N@H+](CCC1CCOCC1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904322492 621574316 /nfs/dbraw/zinc/57/43/16/621574316.db2.gz DARYZSDNNDWSJQ-HNNXBMFYSA-N 2 0 270.461 2.889 20 0 CFADRP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000904322720 621574539 /nfs/dbraw/zinc/57/45/39/621574539.db2.gz ILMNXTPLVSYUKQ-BARDWOONSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@H]1C[C@H](N(C)C[C@@H]([NH3+])CCC(C)(C)C)CC[N@@H+]1C ZINC000904323389 621574857 /nfs/dbraw/zinc/57/48/57/621574857.db2.gz PHQGCWMDKPBIEN-QLFBSQMISA-N 2 0 269.477 2.555 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000904323137 621574935 /nfs/dbraw/zinc/57/49/35/621574935.db2.gz NFCJWIFOWZUPON-FMKPAKJESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@]1(C[NH+]2CCC(C3CCOCC3)CC2)CCC[NH2+]C1 ZINC000904324524 621575293 /nfs/dbraw/zinc/57/52/93/621575293.db2.gz JLCKUTXHTYVGJX-QGZVFWFLSA-N 2 0 280.456 2.515 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904324946 621575311 /nfs/dbraw/zinc/57/53/11/621575311.db2.gz NOBGIVRQVYCADC-JKSUJKDBSA-N 2 0 283.504 2.804 20 0 CFADRP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000904324397 621575378 /nfs/dbraw/zinc/57/53/78/621575378.db2.gz WXTWPRPHUPTGJD-SDDRHHMPSA-N 2 0 267.442 2.744 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904324121 621575395 /nfs/dbraw/zinc/57/53/95/621575395.db2.gz VNZUWZCYSLOXDF-FOCJUVANSA-N 2 0 262.372 2.946 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CCC[NH2+]C1 ZINC000904325305 621575552 /nfs/dbraw/zinc/57/55/52/621575552.db2.gz VNIGIVOBKQQQSY-QZTJIDSGSA-N 2 0 287.451 2.953 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904326494 621576082 /nfs/dbraw/zinc/57/60/82/621576082.db2.gz KTDUYPPMCCQWBD-LXTVHRRPSA-N 2 0 268.445 2.639 20 0 CFADRP CCCOc1ccc2c(c1)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904326527 621576296 /nfs/dbraw/zinc/57/62/96/621576296.db2.gz LUTCCZNRJQKUFK-AKAXFMLLSA-N 2 0 274.408 2.571 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](COc3ccccc3)C2)CCC[NH2+]C1 ZINC000904330782 621576965 /nfs/dbraw/zinc/57/69/65/621576965.db2.gz CHJITXJIVQYZOA-FUHWJXTLSA-N 2 0 288.435 2.777 20 0 CFADRP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341838 621577915 /nfs/dbraw/zinc/57/79/15/621577915.db2.gz XBSUNDNLMJDURJ-MCYUEQNJSA-N 2 0 282.815 2.743 20 0 CFADRP C[C@@]1(C[NH+]2CCC(Cc3cccnc3)CC2)CCC[NH2+]C1 ZINC000904341541 621578413 /nfs/dbraw/zinc/57/84/13/621578413.db2.gz OKKLAXMLIFJPIN-GOSISDBHSA-N 2 0 287.451 2.726 20 0 CFADRP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904344943 621578594 /nfs/dbraw/zinc/57/85/94/621578594.db2.gz BMGBMUOURJEJKV-XJNFMUPTSA-N 2 0 258.409 2.910 20 0 CFADRP COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]2C ZINC000904345671 621579253 /nfs/dbraw/zinc/57/92/53/621579253.db2.gz ILHBYJPFJGOMBF-PWNZVWSESA-N 2 0 274.408 2.740 20 0 CFADRP COc1ccc2c(c1)C[C@@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]2C ZINC000904345669 621579716 /nfs/dbraw/zinc/57/97/16/621579716.db2.gz ILHBYJPFJGOMBF-BHPKHCPMSA-N 2 0 274.408 2.740 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904348544 621580460 /nfs/dbraw/zinc/58/04/60/621580460.db2.gz RKYXNUDUSFDORE-QEORTHHSSA-N 2 0 274.408 2.742 20 0 CFADRP C[NH2+]Cc1ccccc1NC[C@H]([NH3+])CCC(C)(C)C ZINC000904352765 621580991 /nfs/dbraw/zinc/58/09/91/621580991.db2.gz ADRVAXOGIPTKRD-CQSZACIVSA-N 2 0 263.429 2.972 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000904359158 621582174 /nfs/dbraw/zinc/58/21/74/621582174.db2.gz ZNJUCXMRNZPLEI-PMPSAXMXSA-N 2 0 281.488 2.604 20 0 CFADRP CC1CCC(OC2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000904339250 621582357 /nfs/dbraw/zinc/58/23/57/621582357.db2.gz ZFBZEHOLGBAIHW-IRHLINNNSA-N 2 0 280.456 2.783 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359371 621582454 /nfs/dbraw/zinc/58/24/54/621582454.db2.gz LGAPFLQESURMEJ-GSJFWJNXSA-N 2 0 283.213 2.584 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC000904362045 621583214 /nfs/dbraw/zinc/58/32/14/621583214.db2.gz GMAXLHCUAPYXAG-KLPPZKSPSA-N 2 0 272.314 2.575 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904367076 621583284 /nfs/dbraw/zinc/58/32/84/621583284.db2.gz VFBOFSGGQOURFD-UXLLHSPISA-N 2 0 282.472 2.807 20 0 CFADRP CC1(C)[C@H](c2ccccc2)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372317 621584737 /nfs/dbraw/zinc/58/47/37/621584737.db2.gz AYNPQXZYTXUVRN-IMJJTQAJSA-N 2 0 258.409 2.992 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904373368 621584808 /nfs/dbraw/zinc/58/48/08/621584808.db2.gz DANSPZMZHXDFME-MAZHCROVSA-N 2 0 262.372 2.526 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)C1 ZINC000904372286 621584880 /nfs/dbraw/zinc/58/48/80/621584880.db2.gz AJLZUKPEQIGMMP-HYVNUMGLSA-N 2 0 270.420 2.993 20 0 CFADRP CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904374957 621584979 /nfs/dbraw/zinc/58/49/79/621584979.db2.gz ZBLJZYKHMXHNCM-KBXIAJHMSA-N 2 0 250.430 2.872 20 0 CFADRP C[C@@]1(C[NH2+]CCc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000904364140 621585389 /nfs/dbraw/zinc/58/53/89/621585389.db2.gz SDVDZUJTQQPPBB-CYBMUJFWSA-N 2 0 272.845 2.923 20 0 CFADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904366437 621586062 /nfs/dbraw/zinc/58/60/62/621586062.db2.gz KONACVRMIARJJK-DOMZBBRYSA-N 2 0 294.487 2.711 20 0 CFADRP Cc1cccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1C ZINC000904389643 621586615 /nfs/dbraw/zinc/58/66/15/621586615.db2.gz PRKMLYXDWAGMTK-KRWDZBQOSA-N 2 0 288.435 2.633 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CNc2ccccc2C1 ZINC000904376494 621587094 /nfs/dbraw/zinc/58/70/94/621587094.db2.gz UOFZRUFBHBCVNT-LSDHHAIUSA-N 2 0 275.440 2.766 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904383944 621588162 /nfs/dbraw/zinc/58/81/62/621588162.db2.gz DNQIUXRNVBANPW-UQPPLGOBSA-N 3 0 283.504 2.993 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000904381216 621588259 /nfs/dbraw/zinc/58/82/59/621588259.db2.gz LPXLSJWVSNQKQN-CQSZACIVSA-N 2 0 291.439 2.734 20 0 CFADRP COC(=O)c1ccc(C[N@H+](C)CCCCCC[NH3+])cc1C ZINC000904384332 621588386 /nfs/dbraw/zinc/58/83/86/621588386.db2.gz ITVAVEBIHYJCLF-UHFFFAOYSA-N 2 0 292.423 2.733 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000904405125 621590137 /nfs/dbraw/zinc/59/01/37/621590137.db2.gz FCHRFRMZJGPSTJ-CYBMUJFWSA-N 2 0 287.432 2.981 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc2cccnc12 ZINC000904405069 621590241 /nfs/dbraw/zinc/59/02/41/621590241.db2.gz ILMRQYSJRHXUCH-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP Cn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(C2CCCCC2)n1 ZINC000904405786 621590256 /nfs/dbraw/zinc/59/02/56/621590256.db2.gz PMPXVKSPMUMGHP-CQSZACIVSA-N 2 0 290.455 2.639 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000904405865 621590318 /nfs/dbraw/zinc/59/03/18/621590318.db2.gz QPSMCONAGTUZMB-QWHCGFSZSA-N 2 0 250.361 2.600 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000904405054 621590383 /nfs/dbraw/zinc/59/03/83/621590383.db2.gz HZEJGGHVNCVFDF-UDSFMNFJSA-N 2 0 266.335 2.649 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000904405441 621590457 /nfs/dbraw/zinc/59/04/57/621590457.db2.gz IOWNXACUFAGVHR-LBPRGKRZSA-N 2 0 279.453 2.971 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)ccc2O1 ZINC000904405033 621590613 /nfs/dbraw/zinc/59/06/13/621590613.db2.gz HHRYEFNCILEUQI-CYBMUJFWSA-N 2 0 274.408 2.571 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncc(C(C)(C)C)s2)CC[C@@H]1C[NH3+] ZINC000904409763 621590972 /nfs/dbraw/zinc/59/09/72/621590972.db2.gz HWMARDDUNOKPRR-NWDGAFQWSA-N 2 0 281.469 2.857 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC000904409635 621591101 /nfs/dbraw/zinc/59/11/01/621591101.db2.gz FAILDTVXADLGLO-QWHCGFSZSA-N 2 0 288.391 2.858 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410176 621591597 /nfs/dbraw/zinc/59/15/97/621591597.db2.gz CWKQAUJHRWKMIP-STQMWFEESA-N 2 0 281.469 2.758 20 0 CFADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410538 621591765 /nfs/dbraw/zinc/59/17/65/621591765.db2.gz HGHNVWBKTSPZEL-ZFWWWQNUSA-N 2 0 299.418 2.660 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1OC(C)C ZINC000904410222 621591940 /nfs/dbraw/zinc/59/19/40/621591940.db2.gz MPZPTGFRLNTUGL-AWEZNQCLSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@H]1C[NH3+] ZINC000904411878 621592488 /nfs/dbraw/zinc/59/24/88/621592488.db2.gz PJIZTCAADVHVOM-QWRGUYRKSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@H]1C[NH3+] ZINC000904411490 621592502 /nfs/dbraw/zinc/59/25/02/621592502.db2.gz KZAPDONNXGQATN-HOCLYGCPSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1C[NH3+] ZINC000904411488 621592844 /nfs/dbraw/zinc/59/28/44/621592844.db2.gz KZAPDONNXGQATN-GDBMZVCRSA-N 2 0 288.435 2.892 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC ZINC000904412314 621593074 /nfs/dbraw/zinc/59/30/74/621593074.db2.gz RZKOCJQOKNGWJH-DZGCQCFKSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@H]1C[NH3+] ZINC000904412700 621593501 /nfs/dbraw/zinc/59/35/01/621593501.db2.gz XZJGNJSGZAMGDZ-HIFRSBDPSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@@H]1C[NH3+] ZINC000904412579 621593504 /nfs/dbraw/zinc/59/35/04/621593504.db2.gz WRQSOMZSSGGIDQ-ZIAGYGMSSA-N 2 0 269.392 2.652 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904428965 621594923 /nfs/dbraw/zinc/59/49/23/621594923.db2.gz SEFQLDQAQOOZSB-YPAMNDHTSA-N 2 0 271.408 2.579 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420225 621596432 /nfs/dbraw/zinc/59/64/32/621596432.db2.gz HKLMWYNIIHSHCI-DLBZAZTESA-N 2 0 288.435 2.777 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC000904443890 621598999 /nfs/dbraw/zinc/59/89/99/621598999.db2.gz JFAITPJRIDOVMG-SLEUVZQESA-N 2 0 278.371 2.627 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000904473237 621600993 /nfs/dbraw/zinc/60/09/93/621600993.db2.gz QCJTYUCLHPYGOW-FVAVCCDCSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)([NH3+])c1ccc(NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904473784 621601706 /nfs/dbraw/zinc/60/17/06/621601706.db2.gz CZOBNALWBGXVRA-INIZCTEOSA-N 2 0 261.413 2.682 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000904474817 621601865 /nfs/dbraw/zinc/60/18/65/621601865.db2.gz KZMMYVMLELUDFY-HUUCEWRRSA-N 2 0 298.434 2.897 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000904475516 621601883 /nfs/dbraw/zinc/60/18/83/621601883.db2.gz LGOQJYLJHPRELL-KRWDZBQOSA-N 2 0 276.424 2.559 20 0 CFADRP Nc1cc[nH+]cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000904767441 621641821 /nfs/dbraw/zinc/64/18/21/621641821.db2.gz VFNTVARSBWOEPD-UHFFFAOYSA-N 2 0 253.349 2.757 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000905179672 621712136 /nfs/dbraw/zinc/71/21/36/621712136.db2.gz LHFUTRJUOXXSOQ-VMWRSERWSA-N 2 0 290.451 2.738 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000905267400 621730649 /nfs/dbraw/zinc/73/06/49/621730649.db2.gz LFXWJXGLDHKOHN-SFHVURJKSA-N 2 0 290.451 2.884 20 0 CFADRP C1C[NH2+][C@@H](c2noc([C@H]3CCCCC34CC[NH2+]CC4)n2)C1 ZINC000905304267 621745992 /nfs/dbraw/zinc/74/59/92/621745992.db2.gz JWKJDDWTXMOMOY-CHWSQXEVSA-N 2 0 290.411 2.522 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000905600727 621795554 /nfs/dbraw/zinc/79/55/54/621795554.db2.gz MLQALKNENHFZHU-LXPRWKDFSA-N 2 0 294.483 2.924 20 0 CFADRP C[NH+](C)CCc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)cc1 ZINC000906170669 621942918 /nfs/dbraw/zinc/94/29/18/621942918.db2.gz JVVNVPAUENUADX-KRWDZBQOSA-N 2 0 296.418 2.672 20 0 CFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924825484 622346862 /nfs/dbraw/zinc/34/68/62/622346862.db2.gz QQRRVGKZXLWNHH-NVXWUHKLSA-N 2 0 298.434 2.643 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@](C)(C[NH3+])CC(C)C)c1 ZINC000911682036 622534347 /nfs/dbraw/zinc/53/43/47/622534347.db2.gz GLJBYWNOLDUVII-KRWDZBQOSA-N 2 0 291.439 2.746 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]2([NH3+])C[C@@H]2c2ccccc2)cc1 ZINC000911846870 622563500 /nfs/dbraw/zinc/56/35/00/622563500.db2.gz OMFITMTYGSCJEO-XZOAIXRZSA-N 2 0 295.386 2.530 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]23CC[NH2+][C@H]2CCCC3)cc1 ZINC000911845450 622563607 /nfs/dbraw/zinc/56/36/07/622563607.db2.gz KTEVWXMWJTUUIB-ISTRZQFTSA-N 2 0 287.407 2.567 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000819953991 622583288 /nfs/dbraw/zinc/58/32/88/622583288.db2.gz ZCFATJSNCWHTPE-SCLBCKFNSA-N 2 0 297.402 2.774 20 0 CFADRP C[C@@H]([NH2+]CCCn1cccn1)c1cccc(C[NH+](C)C)c1 ZINC000820806404 622760935 /nfs/dbraw/zinc/76/09/35/622760935.db2.gz HRHQODBHFWMOOJ-OAHLLOKOSA-N 2 0 286.423 2.686 20 0 CFADRP Oc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820808998 622762308 /nfs/dbraw/zinc/76/23/08/622762308.db2.gz RFLNCLYWFZBNGQ-ZXFUBFMLSA-N 2 0 286.419 2.682 20 0 CFADRP CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811510 622763671 /nfs/dbraw/zinc/76/36/71/622763671.db2.gz RIQLCQJGLYDRSN-BBRMVZONSA-N 2 0 264.413 2.824 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCO1 ZINC000820829621 622768916 /nfs/dbraw/zinc/76/89/16/622768916.db2.gz KPFPKHVPECBOHT-GARPMUOSSA-N 2 0 278.440 2.691 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H](C)O1 ZINC000820829751 622768947 /nfs/dbraw/zinc/76/89/47/622768947.db2.gz MGIKBHSEEXXAAG-STMZJRGBSA-N 2 0 278.440 2.690 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820830625 622770158 /nfs/dbraw/zinc/77/01/58/622770158.db2.gz XHKGPLZKACGFAP-CPUCHLNUSA-N 2 0 276.424 2.966 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000227673670 623115418 /nfs/dbraw/zinc/11/54/18/623115418.db2.gz SMRAHRNYMXDVTE-QAPCUYQASA-N 2 0 290.451 2.948 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CSCCS2)c2ccccc21 ZINC000229587232 623213156 /nfs/dbraw/zinc/21/31/56/623213156.db2.gz KPWUOYDKVBMQSB-LERXQTSPSA-N 2 0 280.462 2.569 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)CC1CC[NH2+]CC1 ZINC000062014556 623244144 /nfs/dbraw/zinc/24/41/44/623244144.db2.gz QSTDXZYMMNISOM-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000062071574 623247081 /nfs/dbraw/zinc/24/70/81/623247081.db2.gz DZYYZCKMXNZLGL-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062078691 623247096 /nfs/dbraw/zinc/24/70/96/623247096.db2.gz ZBPHGEQAFYXYIS-CVEARBPZSA-N 2 0 290.451 2.948 20 0 CFADRP C[Si](C)(C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172578644 623290730 /nfs/dbraw/zinc/29/07/30/623290730.db2.gz JVQHWWBNQNISKB-AWEZNQCLSA-N 2 0 254.494 2.814 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCSC(C)(C)CC2)CC[NH2+]1 ZINC000231053034 623321321 /nfs/dbraw/zinc/32/13/21/623321321.db2.gz DLZJPSASRDMCMJ-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccnc(Cl)c3F)CC[C@H]21 ZINC000823489984 623333614 /nfs/dbraw/zinc/33/36/14/623333614.db2.gz ROPPTQJANLNBPL-WCQYABFASA-N 2 0 297.805 2.790 20 0 CFADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000823596831 623356907 /nfs/dbraw/zinc/35/69/07/623356907.db2.gz WIGBODVOLUNOSG-ZWKOTPCHSA-N 2 0 288.435 2.574 20 0 CFADRP OCCCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173881268 623372418 /nfs/dbraw/zinc/37/24/18/623372418.db2.gz IBZCFEKKALTROP-KRWDZBQOSA-N 2 0 282.472 2.737 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCCC[C@H]1C ZINC000823825419 623400868 /nfs/dbraw/zinc/40/08/68/623400868.db2.gz NSWWYMVAKUJONB-HMDCTGQHSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000823841650 623403537 /nfs/dbraw/zinc/40/35/37/623403537.db2.gz HSBMFXMNSPBWII-GJZGRUSLSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000232548649 623426772 /nfs/dbraw/zinc/42/67/72/623426772.db2.gz AOWNFRIPCCBDFK-SOUVJXGZSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1c(C)noc1C ZINC000788025873 623463754 /nfs/dbraw/zinc/46/37/54/623463754.db2.gz VOYUXHIQNVQQHE-CQSZACIVSA-N 2 0 265.401 2.674 20 0 CFADRP Cc1cnccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000824332018 623491566 /nfs/dbraw/zinc/49/15/66/623491566.db2.gz CUGJAGJRYCHVGC-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000929637023 623498118 /nfs/dbraw/zinc/49/81/18/623498118.db2.gz ALLFFMVJHVWQGZ-BHDPWAOGSA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccnc1Cl ZINC000824914518 623587097 /nfs/dbraw/zinc/58/70/97/623587097.db2.gz TVLOYDQTZPCACJ-UHFFFAOYSA-N 2 0 269.820 2.945 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000824913995 623587326 /nfs/dbraw/zinc/58/73/26/623587326.db2.gz LLVULCUYZVMTKI-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP c1sc(C2CC2)nc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262023611 623708510 /nfs/dbraw/zinc/70/85/10/623708510.db2.gz NIHLVKJZKFBIDP-UHFFFAOYSA-N 2 0 277.437 2.596 20 0 CFADRP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(N)n1)CC(C)C ZINC000914572014 623899777 /nfs/dbraw/zinc/89/97/77/623899777.db2.gz GFQOMDVGBLGJEL-ZDUSSCGKSA-N 2 0 279.432 2.536 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000829233749 624406172 /nfs/dbraw/zinc/40/61/72/624406172.db2.gz FTWKIGWUEBHSDS-RYUDHWBXSA-N 2 0 279.255 2.986 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925473894 624629599 /nfs/dbraw/zinc/62/95/99/624629599.db2.gz GRHWVDKRWHHAJN-CRAIPNDOSA-N 2 0 289.467 2.759 20 0 CFADRP C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000089892831 624639035 /nfs/dbraw/zinc/63/90/35/624639035.db2.gz GVQSHUOKRQBJJS-SFHVURJKSA-N 2 0 293.499 2.670 20 0 CFADRP CCCC[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000920409824 624720117 /nfs/dbraw/zinc/72/01/17/624720117.db2.gz JNMVQECDDXBNNF-OAHLLOKOSA-N 2 0 276.424 2.797 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070149978 625274050 /nfs/dbraw/zinc/27/40/50/625274050.db2.gz MLPBLNLPMQCAEJ-HNNXBMFYSA-N 2 0 262.397 2.577 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccnc(Cl)c1 ZINC000817960364 625964780 /nfs/dbraw/zinc/96/47/80/625964780.db2.gz YIWKVTSWNXLFFO-JQWIXIFHSA-N 2 0 255.793 2.759 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000921527451 625978091 /nfs/dbraw/zinc/97/80/91/625978091.db2.gz NJGZUNYTZUIDCU-UMVBOHGHSA-N 2 0 268.470 2.735 20 0 CFADRP COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000921537638 625980111 /nfs/dbraw/zinc/98/01/11/625980111.db2.gz NIIHWSBSGXKVIU-IRXDYDNUSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@@H](CNCc1c(Cl)n[nH]c1C1CC1)C[NH+]1CCCC1 ZINC000921553015 625985669 /nfs/dbraw/zinc/98/56/69/625985669.db2.gz PIONGFZZDLNNEY-NSHDSACASA-N 2 0 296.846 2.762 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](SC)C2)C1 ZINC000921580670 625989765 /nfs/dbraw/zinc/98/97/65/625989765.db2.gz FKVBZLAKAHZXNN-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000921686695 626078732 /nfs/dbraw/zinc/07/87/32/626078732.db2.gz OFYDJXDLLJLSMT-CQSZACIVSA-N 2 0 288.435 2.832 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921920303 626178299 /nfs/dbraw/zinc/17/82/99/626178299.db2.gz KTFNWUNZFGVSMJ-BFYMFYIXSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CCCC1 ZINC000921997139 626193195 /nfs/dbraw/zinc/19/31/95/626193195.db2.gz ALVXWSLOKGFQMI-YESZJQIVSA-N 2 0 294.483 2.903 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCc3nccn3C2)C1 ZINC000922026679 626198110 /nfs/dbraw/zinc/19/81/10/626198110.db2.gz WNWYYCVHRWUZKD-MELADBBJSA-N 2 0 279.453 2.709 20 0 CFADRP COc1cccc(CN2CCC([NH+](C)C)CC2)c1C ZINC000929261023 626202432 /nfs/dbraw/zinc/20/24/32/626202432.db2.gz XMIWTBHETVQGBY-UHFFFAOYSA-N 2 0 262.397 2.530 20 0 CFADRP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n(C2CCC2)n1 ZINC000922147502 626218230 /nfs/dbraw/zinc/21/82/30/626218230.db2.gz ZGGQZGFXKYCDQO-UHFFFAOYSA-N 2 0 290.455 2.964 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000922181773 626233227 /nfs/dbraw/zinc/23/32/27/626233227.db2.gz ZBCPXXHSRMKQRJ-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)ccc2O1 ZINC000922284166 626259814 /nfs/dbraw/zinc/25/98/14/626259814.db2.gz NUHZFPSWEPXQKV-ZBFHGGJFSA-N 2 0 288.435 2.832 20 0 CFADRP CCC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922393413 626283390 /nfs/dbraw/zinc/28/33/90/626283390.db2.gz KPPZXAOKVBXRSH-PNKHAZJDSA-N 2 0 296.499 2.882 20 0 CFADRP Cn1cccc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922509013 626300292 /nfs/dbraw/zinc/30/02/92/626300292.db2.gz GVXYCYLOVPGCAV-UHFFFAOYSA-N 2 0 275.440 2.912 20 0 CFADRP COCC(C)(C)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922844271 626378617 /nfs/dbraw/zinc/37/86/17/626378617.db2.gz BCHXYXOGZIEJFV-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000922845612 626379368 /nfs/dbraw/zinc/37/93/68/626379368.db2.gz FIUNSUWZCHRQRW-UHFFFAOYSA-N 2 0 288.439 2.715 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CN1C1CC1 ZINC000922846618 626379422 /nfs/dbraw/zinc/37/94/22/626379422.db2.gz COPUPSLWTADECZ-CTMQZQKCSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CN1C1CC1 ZINC000922846620 626379435 /nfs/dbraw/zinc/37/94/35/626379435.db2.gz COPUPSLWTADECZ-UERKLNTKSA-N 2 0 291.483 2.608 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccns2)CC1 ZINC000922846882 626379907 /nfs/dbraw/zinc/37/99/07/626379907.db2.gz RTDFVVBZVBHVDG-UHFFFAOYSA-N 2 0 265.426 2.640 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C[C@H](C)O1 ZINC000922844878 626380439 /nfs/dbraw/zinc/38/04/39/626380439.db2.gz JEHWWFAQAYASJL-ZVTHOSHGSA-N 2 0 280.456 2.939 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1(C)C ZINC000922896426 626420431 /nfs/dbraw/zinc/42/04/31/626420431.db2.gz NSZCXMZFXQXPFB-JYJNAYRXSA-N 2 0 280.456 2.654 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922952679 626430018 /nfs/dbraw/zinc/43/00/18/626430018.db2.gz HBYWXKFCIBNBAU-JQHSSLGASA-N 2 0 292.467 2.822 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c(C)c1 ZINC000922950770 626431626 /nfs/dbraw/zinc/43/16/26/626431626.db2.gz DBQTZYFDNKATDK-GOSISDBHSA-N 2 0 288.435 2.646 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2([C@H]3CCCCO3)CC2)CC1(C)C ZINC000923027984 626443041 /nfs/dbraw/zinc/44/30/41/626443041.db2.gz LZXUYNNJHFLNTC-ZIAGYGMSSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+](Cc1cccc2ccccc21)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923300119 626463366 /nfs/dbraw/zinc/46/33/66/626463366.db2.gz ARKJKBGRVOERCP-QGZVFWFLSA-N 2 0 296.414 2.650 20 0 CFADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923299783 626463408 /nfs/dbraw/zinc/46/34/08/626463408.db2.gz ZMPHKZQCTQJOPN-SFHVURJKSA-N 2 0 296.414 2.650 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000923293939 626463627 /nfs/dbraw/zinc/46/36/27/626463627.db2.gz AWUGFHQLQKEFCA-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923297665 626463803 /nfs/dbraw/zinc/46/38/03/626463803.db2.gz JAIKPXIZUGLTSS-QGZVFWFLSA-N 2 0 288.435 2.586 20 0 CFADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923312410 626464766 /nfs/dbraw/zinc/46/47/66/626464766.db2.gz KTBQTAPKEPEFFP-ZWKOTPCHSA-N 2 0 288.435 2.717 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923308945 626465630 /nfs/dbraw/zinc/46/56/30/626465630.db2.gz KJIUHDXEGWQYOF-QGZVFWFLSA-N 2 0 288.435 2.844 20 0 CFADRP CC(C)CO[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923319093 626465637 /nfs/dbraw/zinc/46/56/37/626465637.db2.gz UKINUWZOZZMEGO-NPYXIHBLSA-N 2 0 280.456 2.654 20 0 CFADRP C([C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923309839 626465777 /nfs/dbraw/zinc/46/57/77/626465777.db2.gz VSBCBVHGZLXUQC-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP C([C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923309841 626466014 /nfs/dbraw/zinc/46/60/14/626466014.db2.gz VSBCBVHGZLXUQC-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC[C@@H]1CCCC[NH+]1C ZINC000923324423 626466418 /nfs/dbraw/zinc/46/64/18/626466418.db2.gz HGGKUKOULOXGIS-FBVQUNGASA-N 3 0 293.499 2.713 20 0 CFADRP c1n[nH]cc1C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923323431 626466549 /nfs/dbraw/zinc/46/65/49/626466549.db2.gz YPMIJHKEBWUSKG-FUCXHRTASA-N 2 0 288.439 2.510 20 0 CFADRP CCCCCC[C@@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923357730 626468435 /nfs/dbraw/zinc/46/84/35/626468435.db2.gz QOYGFYQVVVNTCB-IAGOWNOFSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000923362182 626469262 /nfs/dbraw/zinc/46/92/62/626469262.db2.gz KZEBENYYAXUQSU-UONOGXRCSA-N 2 0 291.439 2.794 20 0 CFADRP CCCCCC[C@@H](O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923382966 626469756 /nfs/dbraw/zinc/46/97/56/626469756.db2.gz FPZANJQHXGNLCH-HZPDHXFCSA-N 2 0 282.472 2.782 20 0 CFADRP C(C[N@@H+]1CC[C@H]2CSC[C@@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413787 626471343 /nfs/dbraw/zinc/47/13/43/626471343.db2.gz IBUITANKZPMKJJ-NYGOIYDISA-N 2 0 280.481 2.592 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456417 626473593 /nfs/dbraw/zinc/47/35/93/626473593.db2.gz PFGRWERNTBPTRZ-HOCLYGCPSA-N 2 0 274.408 2.577 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000923456500 626473627 /nfs/dbraw/zinc/47/36/27/626473627.db2.gz QPPNWXJPCHIDGR-OAHLLOKOSA-N 2 0 294.826 2.670 20 0 CFADRP [NH3+]CC[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000923480145 626475861 /nfs/dbraw/zinc/47/58/61/626475861.db2.gz FTUYJVAIHLGCMA-XHDPSFHLSA-N 2 0 264.800 2.998 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000923479857 626475935 /nfs/dbraw/zinc/47/59/35/626475935.db2.gz DQHVZTQYQVXPSH-LLVKDONJSA-N 2 0 286.391 2.728 20 0 CFADRP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)o1 ZINC000923484396 626476288 /nfs/dbraw/zinc/47/62/88/626476288.db2.gz YWTRDDFTZVCTFP-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000923484645 626476291 /nfs/dbraw/zinc/47/62/91/626476291.db2.gz ABVWNQJGOPEEPK-OAHLLOKOSA-N 2 0 262.397 2.516 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000923482047 626476318 /nfs/dbraw/zinc/47/63/18/626476318.db2.gz XHMXWNLYAPYOFQ-GFCCVEGCSA-N 2 0 268.351 2.568 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923496430 626476443 /nfs/dbraw/zinc/47/64/43/626476443.db2.gz IFFPWZQSKYLHST-TZMCWYRMSA-N 2 0 287.382 2.791 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496458 626476539 /nfs/dbraw/zinc/47/65/39/626476539.db2.gz ACJRAXCYPIJDPD-CVEARBPZSA-N 2 0 276.424 2.599 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496027 626476545 /nfs/dbraw/zinc/47/65/45/626476545.db2.gz YXVHDJSNJGLXGX-NEPJUHHUSA-N 2 0 282.815 2.765 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000923488778 626476551 /nfs/dbraw/zinc/47/65/51/626476551.db2.gz GSMJDZFOWCFMAE-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)CC[C@H]1C[NH3+] ZINC000923492964 626476657 /nfs/dbraw/zinc/47/66/57/626476657.db2.gz ZWBLAMJZYMMFJT-FRRDWIJNSA-N 2 0 260.372 2.729 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC000923491487 626476726 /nfs/dbraw/zinc/47/67/26/626476726.db2.gz SMPFHIRZMCDNSY-WMLDXEAASA-N 2 0 296.418 2.560 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492312 626476734 /nfs/dbraw/zinc/47/67/34/626476734.db2.gz BQIAAFJUKSWXRA-GDBMZVCRSA-N 2 0 276.424 2.545 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497512 626477134 /nfs/dbraw/zinc/47/71/34/626477134.db2.gz LGOZGBVDTGMXAU-STQMWFEESA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496953 626477166 /nfs/dbraw/zinc/47/71/66/626477166.db2.gz KPMUYLIPCGQZRC-GRYCIOLGSA-N 2 0 268.351 2.943 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500338 626477328 /nfs/dbraw/zinc/47/73/28/626477328.db2.gz WUNRZLWOEDRZCP-NVXWUHKLSA-N 2 0 260.425 2.844 20 0 CFADRP CCCc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1 ZINC000923499810 626477477 /nfs/dbraw/zinc/47/74/77/626477477.db2.gz UGRZHRWNHCIQLN-VXGBXAGGSA-N 2 0 267.442 2.512 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499367 626477513 /nfs/dbraw/zinc/47/75/13/626477513.db2.gz SFBKHXHCSILFNP-BZPMIXESSA-N 2 0 250.361 2.803 20 0 CFADRP COCCCCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505210 626477710 /nfs/dbraw/zinc/47/77/10/626477710.db2.gz MZUWCBNSQJYHJB-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP Cc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923507807 626477842 /nfs/dbraw/zinc/47/78/42/626477842.db2.gz RSANUPQYLUFLIG-KRWDZBQOSA-N 2 0 287.451 2.992 20 0 CFADRP c1cc(CC[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)sn1 ZINC000923507736 626477897 /nfs/dbraw/zinc/47/78/97/626477897.db2.gz RBBFQAAGAVQMEJ-CQSZACIVSA-N 2 0 293.480 2.787 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)sn1 ZINC000923507556 626477905 /nfs/dbraw/zinc/47/79/05/626477905.db2.gz QSTMQFCNQCUASS-CYBMUJFWSA-N 2 0 279.453 2.745 20 0 CFADRP Cl/C=C\C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508454 626477970 /nfs/dbraw/zinc/47/79/70/626477970.db2.gz VMGPNTJKXVBBSY-WPRPQAPASA-N 2 0 256.821 2.841 20 0 CFADRP C[C@@]1(Cc2cccs2)CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923530720 626478761 /nfs/dbraw/zinc/47/87/61/626478761.db2.gz IOBBYOCYNOHUSC-HIFRSBDPSA-N 2 0 264.438 2.755 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000838851526 626510797 /nfs/dbraw/zinc/51/07/97/626510797.db2.gz WVRYQHWBYGEFIJ-HNNXBMFYSA-N 2 0 298.471 2.772 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000838851528 626510826 /nfs/dbraw/zinc/51/08/26/626510826.db2.gz WVRYQHWBYGEFIJ-OAHLLOKOSA-N 2 0 298.471 2.772 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000838899300 626514847 /nfs/dbraw/zinc/51/48/47/626514847.db2.gz FXUCTMGIILWCMZ-UHFFFAOYSA-N 2 0 298.471 2.676 20 0 CFADRP O[C@H](CN1CCCC[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000762634615 626927405 /nfs/dbraw/zinc/92/74/05/626927405.db2.gz QEGJHZKRXGTGOZ-ROUUACIJSA-N 2 0 288.435 2.670 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC12CCCCC2 ZINC000765087428 627118397 /nfs/dbraw/zinc/11/83/97/627118397.db2.gz LXJZUDDECNPOKD-IAGOWNOFSA-N 2 0 294.483 2.735 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)C1CCOCC1 ZINC000765250164 627126314 /nfs/dbraw/zinc/12/63/14/627126314.db2.gz BJRSZYBUPOSKMY-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000765252054 627126510 /nfs/dbraw/zinc/12/65/10/627126510.db2.gz PURYIMHBACJDDW-HUUCEWRRSA-N 2 0 281.444 2.949 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)cc1 ZINC000765770639 627156680 /nfs/dbraw/zinc/15/66/80/627156680.db2.gz OQCZTKHBTCNQLY-BBRMVZONSA-N 2 0 284.407 2.535 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1Cl ZINC000765786021 627157609 /nfs/dbraw/zinc/15/76/09/627157609.db2.gz YMLHHOPTXSYWPW-NSHDSACASA-N 2 0 267.804 2.727 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCOC1 ZINC000766514414 627206669 /nfs/dbraw/zinc/20/66/69/627206669.db2.gz VQPGXWQXCNKBDX-XNIRIUNOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCSC2)C1 ZINC000769013461 627395795 /nfs/dbraw/zinc/39/57/95/627395795.db2.gz NREJTPRVSGWIRQ-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000851885833 634572008 /nfs/dbraw/zinc/57/20/08/634572008.db2.gz MJPMPTMVZHJERR-HZPDHXFCSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000772949545 627760749 /nfs/dbraw/zinc/76/07/49/627760749.db2.gz CGRLGUIMMLIYET-IAGOWNOFSA-N 2 0 288.435 2.980 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000772949548 627760842 /nfs/dbraw/zinc/76/08/42/627760842.db2.gz CGRLGUIMMLIYET-IRXDYDNUSA-N 2 0 288.435 2.980 20 0 CFADRP CCN(C)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774174449 627898782 /nfs/dbraw/zinc/89/87/82/627898782.db2.gz SDIMAANDFPVYOY-ALOPSCKCSA-N 2 0 287.451 2.858 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1nccn1C ZINC000775398199 628020104 /nfs/dbraw/zinc/02/01/04/628020104.db2.gz YCUADVRNEBATJB-QQFBHYJXSA-N 2 0 290.455 2.868 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000776365592 628136218 /nfs/dbraw/zinc/13/62/18/628136218.db2.gz WYATWDJDDIGGDI-OLZOCXBDSA-N 2 0 293.480 2.842 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000779340366 628374972 /nfs/dbraw/zinc/37/49/72/628374972.db2.gz CAMICIHZDILIHQ-MRXNPFEDSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000779342390 628375352 /nfs/dbraw/zinc/37/53/52/628375352.db2.gz RJDKZVBYVJAHBY-HOTGVXAUSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000779340957 628375690 /nfs/dbraw/zinc/37/56/90/628375690.db2.gz NADCVQUKQGGGHL-MRXNPFEDSA-N 2 0 290.451 2.923 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCOC1 ZINC000780052263 628429411 /nfs/dbraw/zinc/42/94/11/628429411.db2.gz KFMGZCAFANVXCY-KRWDZBQOSA-N 2 0 282.472 2.713 20 0 CFADRP CCOCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000782961963 628666509 /nfs/dbraw/zinc/66/65/09/628666509.db2.gz MLCFNANTHJTOPD-HOCLYGCPSA-N 2 0 292.423 2.632 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000783241907 628691853 /nfs/dbraw/zinc/69/18/53/628691853.db2.gz YFJRHIBUMRNJDI-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788594656 629084820 /nfs/dbraw/zinc/08/48/20/629084820.db2.gz OHJVBWSNOMJJQA-KGLIPLIRSA-N 2 0 277.412 2.558 20 0 CFADRP C[C@H](CC[NH2+][C@H](C)c1cc[nH]c(=O)c1)[NH+]1CCCCC1 ZINC000788736307 629096181 /nfs/dbraw/zinc/09/61/81/629096181.db2.gz FMZPNAWPMQDWNZ-ZIAGYGMSSA-N 2 0 277.412 2.702 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](O)c2ccccc2)C[C@H]1C ZINC000795926275 629851668 /nfs/dbraw/zinc/85/16/68/629851668.db2.gz FFMRSCQNNLFFBC-BPQIPLTHSA-N 2 0 290.451 2.915 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796794557 629968233 /nfs/dbraw/zinc/96/82/33/629968233.db2.gz VBADGHOAORZIIG-BRWVUGGUSA-N 2 0 291.439 2.686 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000796812156 629970939 /nfs/dbraw/zinc/97/09/39/629970939.db2.gz QSHFFKNQYQHFBA-MELADBBJSA-N 2 0 270.486 2.981 20 0 CFADRP Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(C)o1 ZINC000796817144 629971373 /nfs/dbraw/zinc/97/13/73/629971373.db2.gz OZCYKOVFGABEAI-UHFFFAOYSA-N 2 0 250.386 2.859 20 0 CFADRP CCc1ccc([C@@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797014354 630004331 /nfs/dbraw/zinc/00/43/31/630004331.db2.gz BWMAQTMOEQBRFV-KDOFPFPSSA-N 2 0 290.451 2.602 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925487654 634780813 /nfs/dbraw/zinc/78/08/13/634780813.db2.gz NFERGMNAHSRDCM-UXLLHSPISA-N 2 0 289.467 2.846 20 0 CFADRP C[NH+](C)CCCCC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000839824993 630071476 /nfs/dbraw/zinc/07/14/76/630071476.db2.gz VQHOGIVFGCKZNU-UHFFFAOYSA-N 2 0 295.402 2.558 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178138 630283774 /nfs/dbraw/zinc/28/37/74/630283774.db2.gz MYFHKZBQBVFFBB-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP CCC[C@@H](C(=O)OCC)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178000 630283909 /nfs/dbraw/zinc/28/39/09/630283909.db2.gz IMSWNIBHFYESGQ-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000800966956 630418881 /nfs/dbraw/zinc/41/88/81/630418881.db2.gz GGKFSFZTWKJXIH-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](CCO)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000800988917 630420603 /nfs/dbraw/zinc/42/06/03/630420603.db2.gz RAHCILJODKGHDX-NVXWUHKLSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000800992623 630421151 /nfs/dbraw/zinc/42/11/51/630421151.db2.gz JCPCLHDRZNPVDP-YJBOKZPZSA-N 2 0 290.451 2.657 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000852743781 634819522 /nfs/dbraw/zinc/81/95/22/634819522.db2.gz KCLCJBCQWPQFFY-HOCLYGCPSA-N 2 0 258.409 2.777 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852759132 634827042 /nfs/dbraw/zinc/82/70/42/634827042.db2.gz KDQCJXLUZMMSJX-MRXNPFEDSA-N 2 0 268.445 2.787 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000841009133 631303979 /nfs/dbraw/zinc/30/39/79/631303979.db2.gz IRKIOCQELUALKM-IAGOWNOFSA-N 2 0 276.424 2.704 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000841029010 631311270 /nfs/dbraw/zinc/31/12/70/631311270.db2.gz DGIZYCHOBQJFLX-JKSUJKDBSA-N 2 0 276.424 2.919 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032134 631311874 /nfs/dbraw/zinc/31/18/74/631311874.db2.gz MLPRQYJIXXXPLE-GQCTYLIASA-N 2 0 296.414 2.999 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000841032817 631314024 /nfs/dbraw/zinc/31/40/24/631314024.db2.gz ZCEREIYASLCRFV-QGZVFWFLSA-N 2 0 296.414 2.844 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CCCCC1 ZINC000841040426 631317905 /nfs/dbraw/zinc/31/79/05/631317905.db2.gz QQAXAQLLGNCGMF-FRRDWIJNSA-N 2 0 286.510 2.617 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841049497 631321002 /nfs/dbraw/zinc/32/10/02/631321002.db2.gz SNASJTWZPNSIHR-VIFPVBQESA-N 2 0 278.343 2.983 20 0 CFADRP COc1c(C)cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1C ZINC000841056133 631324071 /nfs/dbraw/zinc/32/40/71/631324071.db2.gz CNRCUPXBYZYVNF-QGZVFWFLSA-N 2 0 276.424 2.791 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000841057750 631324480 /nfs/dbraw/zinc/32/44/80/631324480.db2.gz NGPYJSULAIZZRN-CABCVRRESA-N 2 0 255.365 2.594 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)ccc2O1 ZINC000841058540 631325474 /nfs/dbraw/zinc/32/54/74/631325474.db2.gz SLRCLZFXUXKRMI-CABCVRRESA-N 2 0 274.408 2.760 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000841057755 631325876 /nfs/dbraw/zinc/32/58/76/631325876.db2.gz NGPYJSULAIZZRN-LSDHHAIUSA-N 2 0 255.365 2.594 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H]3CC34CC[NH2+]CC4)oc21 ZINC000841079334 631333389 /nfs/dbraw/zinc/33/33/89/631333389.db2.gz MSAOEMNXOSLZCN-HNNXBMFYSA-N 2 0 286.375 2.673 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)ccc2O1 ZINC000841085110 631333931 /nfs/dbraw/zinc/33/39/31/631333931.db2.gz UMSJUXZRKUKJBC-WFASDCNBSA-N 2 0 274.408 2.617 20 0 CFADRP CCCCn1nc(C)c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1Cl ZINC000841084442 631334600 /nfs/dbraw/zinc/33/46/00/631334600.db2.gz JKRATZHXEIYDHD-OLZOCXBDSA-N 2 0 298.862 2.862 20 0 CFADRP CCCCC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088081 631335223 /nfs/dbraw/zinc/33/52/23/631335223.db2.gz WGCBDLNHRCRVLD-GTPINHCMSA-N 2 0 281.488 2.761 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000841095073 631338412 /nfs/dbraw/zinc/33/84/12/631338412.db2.gz HNJVXIIKXVYKSF-QZTJIDSGSA-N 2 0 284.403 2.605 20 0 CFADRP C[C@@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000840236558 631605722 /nfs/dbraw/zinc/60/57/22/631605722.db2.gz WFDOMYQBKLXOOT-HOTGVXAUSA-N 2 0 296.455 2.669 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1COC2 ZINC000842472794 631638993 /nfs/dbraw/zinc/63/89/93/631638993.db2.gz LKDBIQYWMCPHKJ-GOSISDBHSA-N 2 0 286.419 2.681 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000842471649 631639622 /nfs/dbraw/zinc/63/96/22/631639622.db2.gz OQNBSROGRLQCGM-OAHLLOKOSA-N 2 0 292.423 2.667 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H](O)c1ccc(C)cc1 ZINC000842472926 631639804 /nfs/dbraw/zinc/63/98/04/631639804.db2.gz LFHVGRVNIOSXFY-WMZOPIPTSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000842476195 631640295 /nfs/dbraw/zinc/64/02/95/631640295.db2.gz JATNTLDBNIBMSN-FUHWJXTLSA-N 3 0 293.499 2.844 20 0 CFADRP Cn1ccnc1[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000842476368 631640464 /nfs/dbraw/zinc/64/04/64/631640464.db2.gz MUPMNAFYPKZBQJ-OAHLLOKOSA-N 2 0 278.444 2.509 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000842476235 631641041 /nfs/dbraw/zinc/64/10/41/631641041.db2.gz JVBGHLGNZCVAKV-HNNXBMFYSA-N 2 0 261.413 2.780 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)CO1 ZINC000842678027 631702725 /nfs/dbraw/zinc/70/27/25/631702725.db2.gz RKMRMQCUDCGMEE-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1cc(CN(C2CC2)C2CC[NH2+]CC2)cnc1Cl ZINC000843044095 631811749 /nfs/dbraw/zinc/81/17/49/631811749.db2.gz SPGLFJLHLSQZOB-UHFFFAOYSA-N 2 0 279.815 2.760 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000843055328 631818416 /nfs/dbraw/zinc/81/84/16/631818416.db2.gz YTLCHZNDKSQGPA-UHFFFAOYSA-N 2 0 261.413 2.524 20 0 CFADRP C[N@H+](Cc1nccc2ccccc21)C1CCC([NH3+])CC1 ZINC000843055685 631818681 /nfs/dbraw/zinc/81/86/81/631818681.db2.gz KMXQHDZVEZXFQA-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000843104035 631835277 /nfs/dbraw/zinc/83/52/77/631835277.db2.gz FPXWQFQYXDHNPD-UHFFFAOYSA-N 2 0 273.355 2.733 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000843125744 631845205 /nfs/dbraw/zinc/84/52/05/631845205.db2.gz HBUVWOKWOBAIEZ-RRFJBIMHSA-N 2 0 262.372 2.612 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000843127530 631846983 /nfs/dbraw/zinc/84/69/83/631846983.db2.gz PSJCXTGPFVLTPV-UHFFFAOYSA-N 2 0 275.371 2.983 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000843127855 631847494 /nfs/dbraw/zinc/84/74/94/631847494.db2.gz RKTPXZQRNREBCK-HNNXBMFYSA-N 2 0 266.816 2.916 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCCCC[NH3+] ZINC000843128699 631847553 /nfs/dbraw/zinc/84/75/53/631847553.db2.gz ZNGQHEFYWKAFBY-CQSZACIVSA-N 2 0 288.439 2.993 20 0 CFADRP COc1ccc(C[NH2+]CCCCCC[NH3+])cc1Cl ZINC000843128105 631847685 /nfs/dbraw/zinc/84/76/85/631847685.db2.gz UGCRCBZUPUZNIR-UHFFFAOYSA-N 2 0 270.804 2.957 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CCCCCC[NH3+] ZINC000843128983 631847998 /nfs/dbraw/zinc/84/79/98/631847998.db2.gz NRCUXMYVMFNKLL-UHFFFAOYSA-N 2 0 250.386 2.612 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CCCCCC[NH3+])n1 ZINC000843128151 631848005 /nfs/dbraw/zinc/84/80/05/631848005.db2.gz URLUVVBRRJZAKB-CQSZACIVSA-N 2 0 266.433 2.504 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843128492 631848243 /nfs/dbraw/zinc/84/82/43/631848243.db2.gz WLHDQVFKRVYHIW-AWEZNQCLSA-N 2 0 264.413 2.735 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCCCCC[NH3+])C2 ZINC000843130168 631849168 /nfs/dbraw/zinc/84/91/68/631849168.db2.gz ZDYOXGGSRVXXBV-HNNXBMFYSA-N 2 0 276.424 2.661 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843339967 631930740 /nfs/dbraw/zinc/93/07/40/631930740.db2.gz GEAGVWOUJJLBSL-QMIVOQANSA-N 2 0 294.464 2.538 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000843341077 631931405 /nfs/dbraw/zinc/93/14/05/631931405.db2.gz YZCWBTQALHIVCF-LOWDOPEQSA-N 2 0 291.266 2.938 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843341647 631932153 /nfs/dbraw/zinc/93/21/53/631932153.db2.gz KTUHTVOZSDVLFO-LSDHHAIUSA-N 2 0 270.461 2.935 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342792 631932277 /nfs/dbraw/zinc/93/22/77/631932277.db2.gz UMPFHYDJJFDINI-GOEBONIOSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCCCC[NH3+])CCC2 ZINC000843341955 631932386 /nfs/dbraw/zinc/93/23/86/631932386.db2.gz LZJIPVHLBJAMCF-LBPRGKRZSA-N 2 0 267.442 2.938 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843343616 631933847 /nfs/dbraw/zinc/93/38/47/631933847.db2.gz WFULCOCFPIRZSZ-HNNXBMFYSA-N 2 0 291.439 2.821 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009499 650040973 /nfs/dbraw/zinc/04/09/73/650040973.db2.gz ILDSCZGMIKJQTR-XHSDSOJGSA-N 2 0 290.455 2.514 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843387702 631942353 /nfs/dbraw/zinc/94/23/53/631942353.db2.gz IBFKUAQHEANLCL-IAGOWNOFSA-N 2 0 288.435 2.695 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843387696 631942365 /nfs/dbraw/zinc/94/23/65/631942365.db2.gz IBFKUAQHEANLCL-DLBZAZTESA-N 2 0 288.435 2.695 20 0 CFADRP Cc1ccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843387027 631942756 /nfs/dbraw/zinc/94/27/56/631942756.db2.gz NRBJWZMOMYXZPP-QGZVFWFLSA-N 2 0 288.435 2.695 20 0 CFADRP Clc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000843385752 631942811 /nfs/dbraw/zinc/94/28/11/631942811.db2.gz VSDSFOKGCWCRDS-CYBMUJFWSA-N 2 0 279.815 2.557 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H]2CCC=CO2)[C@H](c2ccccc2)C1 ZINC000843426585 631954585 /nfs/dbraw/zinc/95/45/85/631954585.db2.gz ATHYFXBXGPKOIR-SQNIBIBYSA-N 2 0 286.419 2.614 20 0 CFADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)C[NH+](C)C ZINC000813877467 631971681 /nfs/dbraw/zinc/97/16/81/631971681.db2.gz WOIRXFHSKNJAFO-YJBOKZPZSA-N 2 0 290.451 2.942 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCC[NH3+])[C@@H](C)C1 ZINC000844220750 632136606 /nfs/dbraw/zinc/13/66/06/632136606.db2.gz AKIHHUFWMMUHIR-HOTGVXAUSA-N 3 0 269.477 2.558 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C[NH+](C)C)C1 ZINC000814871750 632144208 /nfs/dbraw/zinc/14/42/08/632144208.db2.gz ICCVLFGSXIZPRO-CYBMUJFWSA-N 2 0 285.391 2.631 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000815586532 632293014 /nfs/dbraw/zinc/29/30/14/632293014.db2.gz LFMYQDUGISLRNP-GPANFISMSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H](C[C@H]1CCOC1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000815647256 632304297 /nfs/dbraw/zinc/30/42/97/632304297.db2.gz DJNGDGLCOVNBKU-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)n(C)n1 ZINC000815647929 632304423 /nfs/dbraw/zinc/30/44/23/632304423.db2.gz YWIUOWBHPWZOSH-OAHLLOKOSA-N 2 0 278.444 2.645 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]Cc2ccccc2C[NH2+]C)CCO1 ZINC000844904501 632331879 /nfs/dbraw/zinc/33/18/79/632331879.db2.gz OHSLCNPDNCHIFA-PBHICJAKSA-N 2 0 276.424 2.701 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000844922440 632333059 /nfs/dbraw/zinc/33/30/59/632333059.db2.gz FGNZEJDPIINEQS-UTUOFQBUSA-N 2 0 250.789 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000844922534 632337710 /nfs/dbraw/zinc/33/77/10/632337710.db2.gz AJPMNPKNQMWSKL-MXWKQRLJSA-N 2 0 265.228 2.691 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000844924193 632339105 /nfs/dbraw/zinc/33/91/05/632339105.db2.gz JPCZJEWZDYFBSY-FVCCEPFGSA-N 2 0 291.266 2.938 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000844926235 632339461 /nfs/dbraw/zinc/33/94/61/632339461.db2.gz YBUCCXSOHONWIE-UKRRQHHQSA-N 2 0 250.361 2.809 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000844926943 632339732 /nfs/dbraw/zinc/33/97/32/632339732.db2.gz WVUYERKBASKMRA-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP CC(C)C[N@H+](C)CCCNCc1ccc2c[nH]nc2c1 ZINC000845995540 632609986 /nfs/dbraw/zinc/60/99/86/632609986.db2.gz DOEMILUEPLWKMF-UHFFFAOYSA-N 2 0 274.412 2.630 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCC2 ZINC000846176952 632653907 /nfs/dbraw/zinc/65/39/07/632653907.db2.gz KGZOZXQJWKETRC-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000846177169 632653963 /nfs/dbraw/zinc/65/39/63/632653963.db2.gz NBWZXCHNMBNHDQ-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000846218520 632663830 /nfs/dbraw/zinc/66/38/30/632663830.db2.gz WGSOCUKNVPPUMC-MRXNPFEDSA-N 2 0 262.397 2.579 20 0 CFADRP C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCCCC[NH3+] ZINC000846218840 632664854 /nfs/dbraw/zinc/66/48/54/632664854.db2.gz YNDZHAFSNLSZJT-DOTOQJQBSA-N 2 0 276.424 2.968 20 0 CFADRP CC[N@H+](CCCCCC[NH3+])CCc1nccs1 ZINC000846220732 632667309 /nfs/dbraw/zinc/66/73/09/632667309.db2.gz OLPKVMGKNDBYCJ-UHFFFAOYSA-N 2 0 255.431 2.527 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCc3cccs3)C2)C1 ZINC000846225239 632668387 /nfs/dbraw/zinc/66/83/87/632668387.db2.gz LNOXMLLXJGPXPV-SQWLQELKSA-N 2 0 294.464 2.509 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCc2cccs2)C1 ZINC000846226729 632668842 /nfs/dbraw/zinc/66/88/42/632668842.db2.gz AVWHKHTWCNPXOY-KBMXLJTQSA-N 2 0 294.464 2.651 20 0 CFADRP C[C@@H]([NH2+]C(C1CCCC1)C1CCCC1)C1C[NH2+]C1 ZINC000817892556 632718574 /nfs/dbraw/zinc/71/85/74/632718574.db2.gz BAEPTMSGSNGVDP-GFCCVEGCSA-N 2 0 250.430 2.933 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)CC[NH2+]CC1 ZINC000817894331 632719457 /nfs/dbraw/zinc/71/94/57/632719457.db2.gz LNFLYDRMFJMWKG-KBPBESRZSA-N 2 0 298.471 2.580 20 0 CFADRP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817894991 632720459 /nfs/dbraw/zinc/72/04/59/632720459.db2.gz QBSIQZSVPOTMFV-WMLDXEAASA-N 2 0 294.439 2.614 20 0 CFADRP CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817896816 632720531 /nfs/dbraw/zinc/72/05/31/632720531.db2.gz VFNHYKXZWPOPIX-QWRGUYRKSA-N 2 0 267.442 2.641 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000817895064 632720895 /nfs/dbraw/zinc/72/08/95/632720895.db2.gz UGTWHNDQORHGTC-VXGBXAGGSA-N 2 0 293.436 2.701 20 0 CFADRP C1C[C@H]2CC([NH2+]C3CCC([NH+]4CCCCC4)CC3)C[C@@H]1[NH2+]2 ZINC000817898734 632722835 /nfs/dbraw/zinc/72/28/35/632722835.db2.gz AYMYNWQWJROZPA-FUDRRUEFSA-N 3 0 291.483 2.656 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817899953 632723819 /nfs/dbraw/zinc/72/38/19/632723819.db2.gz QXPYXNRBQAXOIF-UKRRQHHQSA-N 2 0 280.387 2.572 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000817899558 632723940 /nfs/dbraw/zinc/72/39/40/632723940.db2.gz HAQQMPLJCFZAPT-RCCFBDPRSA-N 2 0 287.451 2.999 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000817906253 632728158 /nfs/dbraw/zinc/72/81/58/632728158.db2.gz ZCCNRVYGQJLHJR-ZCPGHIKRSA-N 2 0 294.414 2.887 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000817907484 632729008 /nfs/dbraw/zinc/72/90/08/632729008.db2.gz PNQHQBLEWDWQIJ-RDJZCZTQSA-N 2 0 276.424 2.742 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000817914400 632731766 /nfs/dbraw/zinc/73/17/66/632731766.db2.gz WCJGNILHNJIBCF-NWANDNLSSA-N 2 0 280.412 2.522 20 0 CFADRP C[C@H]1CCNC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914151 632732469 /nfs/dbraw/zinc/73/24/69/632732469.db2.gz RUPGSDBRAYECTN-IRXDYDNUSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl ZINC000817918197 632733416 /nfs/dbraw/zinc/73/34/16/632733416.db2.gz JVWSGGQYNIMPNE-RUMNANIHSA-N 2 0 288.794 2.616 20 0 CFADRP CSCCCCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817921907 632734888 /nfs/dbraw/zinc/73/48/88/632734888.db2.gz KLRGOOWGOQLJLB-KBPBESRZSA-N 2 0 258.475 2.888 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817922762 632735447 /nfs/dbraw/zinc/73/54/47/632735447.db2.gz LNZRHGWOZNAHEQ-WFASDCNBSA-N 2 0 284.831 2.655 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817922254 632735778 /nfs/dbraw/zinc/73/57/78/632735778.db2.gz CFKCSAIVOJIQGD-SWLSCSKDSA-N 2 0 284.831 2.655 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922878 632735798 /nfs/dbraw/zinc/73/57/98/632735798.db2.gz NPOGOWRDWAAQLG-VNCIIQTRSA-N 2 0 288.435 2.534 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922966 632735846 /nfs/dbraw/zinc/73/58/46/632735846.db2.gz OPSWUZTWEMDVPW-HOBHPSKFSA-N 2 0 276.424 2.532 20 0 CFADRP C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936422 632739633 /nfs/dbraw/zinc/73/96/33/632739633.db2.gz JZYHYQRZHMMKHF-VWYCJHECSA-N 2 0 265.228 2.691 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000817929339 632739825 /nfs/dbraw/zinc/73/98/25/632739825.db2.gz NODCMDJHBZGGDK-GVDBMIGSSA-N 2 0 276.424 2.532 20 0 CFADRP Fc1cnc(Cl)c(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817933587 632740768 /nfs/dbraw/zinc/74/07/68/632740768.db2.gz LETAQKKPEPBLGS-BFHYXJOUSA-N 2 0 297.805 2.884 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1(Cl)Cl ZINC000817936109 632741734 /nfs/dbraw/zinc/74/17/34/632741734.db2.gz GOUQBXKCOVNMBK-OUAUKWLOSA-N 2 0 265.228 2.677 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000817947534 632749662 /nfs/dbraw/zinc/74/96/62/632749662.db2.gz PKMHZGPCQRPRSZ-DMDPSCGWSA-N 2 0 267.804 2.774 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1C ZINC000817954088 632754038 /nfs/dbraw/zinc/75/40/38/632754038.db2.gz BKTUZZHNCDBCBZ-CABCVRRESA-N 2 0 276.424 2.962 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc2c(c1)CCO2 ZINC000817964214 632762949 /nfs/dbraw/zinc/76/29/49/632762949.db2.gz ZRPXOBNXKCZOLE-DOMZBBRYSA-N 2 0 262.397 2.790 20 0 CFADRP COCc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968775 632767716 /nfs/dbraw/zinc/76/77/16/632767716.db2.gz MGROIUMKGTUMBX-CZUORRHYSA-N 2 0 292.423 2.634 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817970348 632768277 /nfs/dbraw/zinc/76/82/77/632768277.db2.gz RSRMILZACPVYDT-NUEKZKHPSA-N 2 0 284.407 2.793 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCO2 ZINC000817976374 632774220 /nfs/dbraw/zinc/77/42/20/632774220.db2.gz KWCCGRIPEYHGAS-NVXWUHKLSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccnc1Cl ZINC000817976116 632774629 /nfs/dbraw/zinc/77/46/29/632774629.db2.gz GKSQIEULONHAJW-JQWIXIFHSA-N 2 0 265.788 2.528 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccnc(Cl)c1 ZINC000817976916 632774883 /nfs/dbraw/zinc/77/48/83/632774883.db2.gz WVJHEYVNASWMFF-CMPLNLGQSA-N 2 0 265.788 2.528 20 0 CFADRP COCc1cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OC ZINC000817978015 632775406 /nfs/dbraw/zinc/77/54/06/632775406.db2.gz TZDMJWLTEANZPX-CHWSQXEVSA-N 2 0 280.412 2.620 20 0 CFADRP COc1cccc2cc(CN3CC[C@@H]([NH3+])C[C@@H]3C)oc21 ZINC000846701562 632777655 /nfs/dbraw/zinc/77/76/55/632777655.db2.gz CJTDJOYTFRFEHC-WCQYABFASA-N 2 0 274.364 2.753 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817981444 632777792 /nfs/dbraw/zinc/77/77/92/632777792.db2.gz JRGSIQRMOKBKAM-OFQRWUPVSA-N 2 0 284.407 2.650 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cnn1-c1ccccc1 ZINC000817982490 632778676 /nfs/dbraw/zinc/77/86/76/632778676.db2.gz TZALWTNBBSCCNK-BPUTZDHNSA-N 2 0 298.434 2.959 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)nc1 ZINC000817982684 632779731 /nfs/dbraw/zinc/77/97/31/632779731.db2.gz VJWRUBJTINQQKN-NHCYSSNCSA-N 2 0 253.777 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccnc1Cl ZINC000817982652 632779816 /nfs/dbraw/zinc/77/98/16/632779816.db2.gz VCJKIOMPWGQPKC-GARJFASQSA-N 2 0 253.777 2.513 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817985216 632781678 /nfs/dbraw/zinc/78/16/78/632781678.db2.gz HNZLBNGTWCFYPY-LLVKDONJSA-N 2 0 265.788 2.695 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccnc1Cl ZINC000817986849 632782091 /nfs/dbraw/zinc/78/20/91/632782091.db2.gz USANZEPWDVXTFR-ZDEQEGDKSA-N 2 0 279.815 2.774 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)CCO2 ZINC000818617399 632880833 /nfs/dbraw/zinc/88/08/33/632880833.db2.gz DYSPBKCCAGXZOA-OWCLPIDISA-N 2 0 274.408 2.932 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000818959876 632915744 /nfs/dbraw/zinc/91/57/44/632915744.db2.gz VFZDIODDJKNXTJ-WMZOPIPTSA-N 2 0 290.451 2.822 20 0 CFADRP CCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000818963100 632916887 /nfs/dbraw/zinc/91/68/87/632916887.db2.gz GIHMWZWTCLVYSE-XHSDSOJGSA-N 2 0 268.445 2.534 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000818985176 632922701 /nfs/dbraw/zinc/92/27/01/632922701.db2.gz PZOFLVBAGAIZLW-WMLDXEAASA-N 2 0 294.414 2.569 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000818985174 632923173 /nfs/dbraw/zinc/92/31/73/632923173.db2.gz PZOFLVBAGAIZLW-PBHICJAKSA-N 2 0 294.414 2.569 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000819103532 632965571 /nfs/dbraw/zinc/96/55/71/632965571.db2.gz YWTHTVOEQPEVLI-WFASDCNBSA-N 2 0 298.858 2.939 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000819101726 632965637 /nfs/dbraw/zinc/96/56/37/632965637.db2.gz CPSDQBVZOVXNLH-RDJZCZTQSA-N 2 0 292.467 2.903 20 0 CFADRP CC(C)[NH+](CCC[NH2+]CC1(O)CCCCC1)C(C)C ZINC000819125325 632975783 /nfs/dbraw/zinc/97/57/83/632975783.db2.gz HZCPXQQXKJPNTB-UHFFFAOYSA-N 2 0 270.461 2.780 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccccc2F)CCCC1 ZINC000819226583 633026712 /nfs/dbraw/zinc/02/67/12/633026712.db2.gz GXJLOOCFDKGEJK-INIZCTEOSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000819356435 633103940 /nfs/dbraw/zinc/10/39/40/633103940.db2.gz YHUXSXFWPZIBKD-SFHVURJKSA-N 2 0 288.435 2.635 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000819355788 633104941 /nfs/dbraw/zinc/10/49/41/633104941.db2.gz VQFLTJBUPCXNJE-GOSISDBHSA-N 2 0 288.435 2.635 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000819366514 633133048 /nfs/dbraw/zinc/13/30/48/633133048.db2.gz RCYJBLZYHYWQIT-SJLPKXTDSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCO2 ZINC000848557204 633288683 /nfs/dbraw/zinc/28/86/83/633288683.db2.gz GNGJYPVJKCRZAP-HEHGZKQESA-N 2 0 274.408 2.612 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000848599286 633297773 /nfs/dbraw/zinc/29/77/73/633297773.db2.gz HIHBVNISGUQLMS-GFCCVEGCSA-N 2 0 268.351 2.568 20 0 CFADRP C[NH2+][C@@H](C)c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000848620817 633299687 /nfs/dbraw/zinc/29/96/87/633299687.db2.gz HAWQYBSKIXHBSB-LBPRGKRZSA-N 2 0 286.379 2.613 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848716893 633322597 /nfs/dbraw/zinc/32/25/97/633322597.db2.gz KTXMTFANGYIBFV-YESZJQIVSA-N 2 0 290.451 2.877 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCCCC2)c1 ZINC000848982592 633415626 /nfs/dbraw/zinc/41/56/26/633415626.db2.gz GCODPYPDHLCDSJ-UHFFFAOYSA-N 2 0 274.412 2.807 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+](CC)CC)cc1 ZINC000848982878 633415895 /nfs/dbraw/zinc/41/58/95/633415895.db2.gz BQXALCSXMKZSFJ-AWEZNQCLSA-N 2 0 290.455 2.941 20 0 CFADRP Cc1ccc(CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000848983929 633416686 /nfs/dbraw/zinc/41/66/86/633416686.db2.gz SUKNDKRUCUHPAQ-MRXNPFEDSA-N 2 0 290.455 2.585 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@H](C)CC ZINC000848998461 633453662 /nfs/dbraw/zinc/45/36/62/633453662.db2.gz KIJQSWLITIEIHK-ZIAGYGMSSA-N 2 0 268.449 2.553 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849027983 633468546 /nfs/dbraw/zinc/46/85/46/633468546.db2.gz UARWBHFASDSSGL-LBPRGKRZSA-N 2 0 296.365 2.775 20 0 CFADRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000849039170 633475051 /nfs/dbraw/zinc/47/50/51/633475051.db2.gz LIQPKYXCFFWUEK-UHFFFAOYSA-N 2 0 290.411 2.506 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000849040904 633476616 /nfs/dbraw/zinc/47/66/16/633476616.db2.gz FSGQTNXVZGTTQD-OAHLLOKOSA-N 2 0 288.439 2.917 20 0 CFADRP CCN(CC)C(=[NH2+])NCCC[N@H+](CC)C1CCCCC1 ZINC000849046414 633479499 /nfs/dbraw/zinc/47/94/99/633479499.db2.gz GBFAWGPQDXFABK-UHFFFAOYSA-N 2 0 282.476 2.897 20 0 CFADRP CCc1cccc(NC(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000849049215 633480727 /nfs/dbraw/zinc/48/07/27/633480727.db2.gz OPQBIRDXDFHAAC-OTVXOJSOSA-N 2 0 274.412 2.525 20 0 CFADRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)CC(C)C ZINC000849054502 633481595 /nfs/dbraw/zinc/48/15/95/633481595.db2.gz KFLBUCYMPYYHQM-HOTGVXAUSA-N 2 0 296.503 2.999 20 0 CFADRP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849106069 633486165 /nfs/dbraw/zinc/48/61/65/633486165.db2.gz RRYUSCJMZLTJSX-INIZCTEOSA-N 2 0 294.487 2.944 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc12 ZINC000849349556 633626007 /nfs/dbraw/zinc/62/60/07/633626007.db2.gz CYBZSARIIUVYFK-QGZVFWFLSA-N 2 0 298.434 2.775 20 0 CFADRP COc1cncc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000850222161 633900794 /nfs/dbraw/zinc/90/07/94/633900794.db2.gz RHXARJSZYKYZCI-OAHLLOKOSA-N 2 0 291.439 2.548 20 0 CFADRP c1[nH]nc2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)ccc12 ZINC000850419711 633984551 /nfs/dbraw/zinc/98/45/51/633984551.db2.gz HCAPIZPOXMZLCI-UHFFFAOYSA-N 2 0 298.434 2.775 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850438680 633993130 /nfs/dbraw/zinc/99/31/30/633993130.db2.gz CMNXRDISZSMABT-RRFJBIMHSA-N 2 0 298.471 2.817 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483815 634013541 /nfs/dbraw/zinc/01/35/41/634013541.db2.gz VDIHXXMNZIQAJR-QZTJIDSGSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCC2SCCS2)CC1 ZINC000853022793 634879741 /nfs/dbraw/zinc/87/97/41/634879741.db2.gz FJDPOFNDXNBIGG-UHFFFAOYSA-N 2 0 274.499 2.504 20 0 CFADRP Cc1csc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000853093067 634901614 /nfs/dbraw/zinc/90/16/14/634901614.db2.gz ATMPFRYSRBTJLB-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000853248682 634951347 /nfs/dbraw/zinc/95/13/47/634951347.db2.gz IMAVAUVAXWCWCX-APHBMKBZSA-N 2 0 274.408 2.932 20 0 CFADRP COc1ccc2c(NCC[C@@H](C)[NH+](C)C)cc[nH+]c2c1 ZINC000853798972 635110824 /nfs/dbraw/zinc/11/08/24/635110824.db2.gz MOVCQWYDLKZFCI-GFCCVEGCSA-N 2 0 273.380 2.996 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H](O)c2cccc3ccccc32)CC1 ZINC000854220965 635261640 /nfs/dbraw/zinc/26/16/40/635261640.db2.gz CZTQCDQLJDFTLQ-KJXMEXGPSA-N 2 0 298.430 2.980 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221044 635261802 /nfs/dbraw/zinc/26/18/02/635261802.db2.gz FFHBMPLRNHJXSA-NIKGAXFTSA-N 2 0 298.430 2.851 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000854230218 635267157 /nfs/dbraw/zinc/26/71/57/635267157.db2.gz JZQVANNKZVQGMJ-RHSMWYFYSA-N 2 0 286.423 2.896 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000925489091 635585370 /nfs/dbraw/zinc/58/53/70/635585370.db2.gz NFOCFQDOBGCDKM-LSDHHAIUSA-N 2 0 264.388 2.864 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C1 ZINC000925489834 635731500 /nfs/dbraw/zinc/73/15/00/635731500.db2.gz RSOVEIJBHOLPPV-JKSUJKDBSA-N 2 0 288.435 2.660 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000925491567 635968155 /nfs/dbraw/zinc/96/81/55/635968155.db2.gz DIQYVSBLBZOPLG-SJORKVTESA-N 2 0 287.451 2.554 20 0 CFADRP CC[NH+](CC)[C@H](CNc1cc[nH+]c(CO)c1)c1ccco1 ZINC000858366927 636210236 /nfs/dbraw/zinc/21/02/36/636210236.db2.gz DSKBLUYISDWKGR-OAHLLOKOSA-N 2 0 289.379 2.662 20 0 CFADRP CC(C)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000048327008 650262967 /nfs/dbraw/zinc/26/29/67/650262967.db2.gz IPYXXYJQZXJZMB-UHFFFAOYSA-N 2 0 289.467 2.834 20 0 CFADRP Cc1c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccnc1F ZINC000862367504 637338757 /nfs/dbraw/zinc/33/87/57/637338757.db2.gz KXPVECHAKTWNSK-INIZCTEOSA-N 2 0 291.414 2.693 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000863539561 637688464 /nfs/dbraw/zinc/68/84/64/637688464.db2.gz FBAURODFALZTGR-CQSZACIVSA-N 2 0 261.413 2.684 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000863690138 637747210 /nfs/dbraw/zinc/74/72/10/637747210.db2.gz LIJQOWLOHULEMB-CQSZACIVSA-N 2 0 296.418 2.638 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865447972 638341700 /nfs/dbraw/zinc/34/17/00/638341700.db2.gz VJGAJDGEORVBND-GHMZBOCLSA-N 2 0 285.313 2.561 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)cc1 ZINC000865698714 638522329 /nfs/dbraw/zinc/52/23/29/638522329.db2.gz GDSUGXYQEYQENY-DLBZAZTESA-N 2 0 294.414 2.997 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCSCC2)CC1 ZINC000865714865 638530828 /nfs/dbraw/zinc/53/08/28/638530828.db2.gz DYTRBBZIRVTMKM-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccoc2)CC1 ZINC000865716623 638531764 /nfs/dbraw/zinc/53/17/64/638531764.db2.gz BXHSTTUACVESPU-UHFFFAOYSA-N 2 0 250.386 2.880 20 0 CFADRP c1cc(C[NH2+]CC[C@@H]2CCCS2)n(-c2cc[nH+]cc2)n1 ZINC000865726261 638539027 /nfs/dbraw/zinc/53/90/27/638539027.db2.gz VASYYUAZNTVWDV-HNNXBMFYSA-N 2 0 288.420 2.643 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765194 638561958 /nfs/dbraw/zinc/56/19/58/638561958.db2.gz ZPYCCCMAAUHTJG-UHFFFAOYSA-N 2 0 292.471 2.892 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccncc2F)CC1 ZINC000865765420 638562212 /nfs/dbraw/zinc/56/22/12/638562212.db2.gz UCYMZIJHEBMUGG-UHFFFAOYSA-N 2 0 265.376 2.573 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865806986 638584976 /nfs/dbraw/zinc/58/49/76/638584976.db2.gz VOABEMVMGUCSQF-WBVHZDCISA-N 2 0 287.451 2.636 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866248144 638779637 /nfs/dbraw/zinc/77/96/37/638779637.db2.gz LPHMOCMBEABHIW-RDJZCZTQSA-N 2 0 275.440 2.724 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000866262910 638783621 /nfs/dbraw/zinc/78/36/21/638783621.db2.gz IKTSYKKFLDKHRL-WBVHZDCISA-N 2 0 260.425 2.857 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000866280429 638788486 /nfs/dbraw/zinc/78/84/86/638788486.db2.gz AADZXIYQECUDOV-NRKLIOEPSA-N 2 0 292.467 2.797 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000866309491 638794792 /nfs/dbraw/zinc/79/47/92/638794792.db2.gz PCPPVAJNSVZFIG-YOTSKQKMSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000866397653 638814537 /nfs/dbraw/zinc/81/45/37/638814537.db2.gz IJBTUQCOOHNAHG-DOTOQJQBSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000866467278 638826107 /nfs/dbraw/zinc/82/61/07/638826107.db2.gz BUBFGSCNJNNWHT-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCOCC2)CC1 ZINC000866467831 638826285 /nfs/dbraw/zinc/82/62/85/638826285.db2.gz RNWDSYQBWPUBBE-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP COCC[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467459 638826289 /nfs/dbraw/zinc/82/62/89/638826289.db2.gz IPAWYHBZKXHYPP-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000866518029 638834416 /nfs/dbraw/zinc/83/44/16/638834416.db2.gz RERVDYRYOJIDPV-NPCAHTBFSA-N 2 0 276.428 2.571 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517342 638834439 /nfs/dbraw/zinc/83/44/39/638834439.db2.gz HBCOFEYNLWAEST-VQCLRJIVSA-N 2 0 276.428 2.699 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)[C@H](C)C1 ZINC000866517037 638834535 /nfs/dbraw/zinc/83/45/35/638834535.db2.gz VGISFCQFJYVOLQ-KZYLPZIUSA-N 3 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)[C@H](C)C1 ZINC000866542029 638839457 /nfs/dbraw/zinc/83/94/57/638839457.db2.gz DQKHFFHMNAVXBW-VXGBXAGGSA-N 2 0 262.388 2.988 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2c3ccccc3CN2C)CC1 ZINC000866561634 638844664 /nfs/dbraw/zinc/84/46/64/638844664.db2.gz IIBIVMQQAYZODK-GOSISDBHSA-N 2 0 287.451 2.637 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866584063 638849261 /nfs/dbraw/zinc/84/92/61/638849261.db2.gz GTECDLNBCMUEEN-SNPRPXQTSA-N 2 0 264.438 2.705 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)nc1Cl ZINC000866660572 638861919 /nfs/dbraw/zinc/86/19/19/638861919.db2.gz HFDXBPGEGNMHLR-UHFFFAOYSA-N 2 0 267.804 2.745 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1Cl ZINC000866665884 638863346 /nfs/dbraw/zinc/86/33/46/638863346.db2.gz JUSKULGRFJVTJG-ZIAGYGMSSA-N 2 0 293.842 2.865 20 0 CFADRP CC1(C)CC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)OC1 ZINC000866668671 638863582 /nfs/dbraw/zinc/86/35/82/638863582.db2.gz HSZCWCKUUKIHKV-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP CC(=O)Nc1cccc2c1C[N@H+](CCCCCC[NH3+])CC2 ZINC000866684436 638865173 /nfs/dbraw/zinc/86/51/73/638865173.db2.gz MSOQTPFZOMLTBI-UHFFFAOYSA-N 2 0 289.423 2.522 20 0 CFADRP COc1ccc([C@@H]2C[N@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000866703010 638867712 /nfs/dbraw/zinc/86/77/12/638867712.db2.gz IHJRLHKCQYWRMT-KRWDZBQOSA-N 2 0 292.423 2.588 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOc2ccccc2)C1 ZINC000866704956 638868055 /nfs/dbraw/zinc/86/80/55/638868055.db2.gz RGLCMEZFWMPUCD-KRWDZBQOSA-N 2 0 276.424 2.762 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866705988 638868499 /nfs/dbraw/zinc/86/84/99/638868499.db2.gz DOPWYKPOYGURFL-MRXNPFEDSA-N 2 0 261.413 2.587 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000866706157 638869139 /nfs/dbraw/zinc/86/91/39/638869139.db2.gz ADJWIDZYIVIVKK-WMLDXEAASA-N 2 0 282.472 2.889 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707378 638869143 /nfs/dbraw/zinc/86/91/43/638869143.db2.gz NELOJKLQIKQFBY-XJKSGUPXSA-N 2 0 261.413 2.840 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C1CCCC1 ZINC000866709517 638869683 /nfs/dbraw/zinc/86/96/83/638869683.db2.gz RRGWJGCZMMFTTH-RDJZCZTQSA-N 2 0 282.472 2.889 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)ccn1 ZINC000866710581 638869857 /nfs/dbraw/zinc/86/98/57/638869857.db2.gz ZKULZRHSIDCACM-INIZCTEOSA-N 2 0 261.413 2.587 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000866717700 638870019 /nfs/dbraw/zinc/87/00/19/638870019.db2.gz MWLBNOBHQONCOP-HOTGVXAUSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000866721346 638870510 /nfs/dbraw/zinc/87/05/10/638870510.db2.gz VCJAGRDTCXZOFX-RDJZCZTQSA-N 2 0 273.424 2.917 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000123726875 641393709 /nfs/dbraw/zinc/39/37/09/641393709.db2.gz JAYVVTFQJXBDLD-INIZCTEOSA-N 2 0 289.423 2.594 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCCOC1 ZINC000872018489 641549156 /nfs/dbraw/zinc/54/91/56/641549156.db2.gz MJSDFZZUWMWQDT-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCCOC1 ZINC000872018490 641549304 /nfs/dbraw/zinc/54/93/04/641549304.db2.gz MJSDFZZUWMWQDT-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CC ZINC000872033693 641564599 /nfs/dbraw/zinc/56/45/99/641564599.db2.gz DRRKASJBPZFBCA-WBVHZDCISA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(O)ccc1F ZINC000872035932 641568876 /nfs/dbraw/zinc/56/88/76/641568876.db2.gz ZWNGRZQVTLWJHO-LLVKDONJSA-N 2 0 266.360 2.524 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000872039980 641574279 /nfs/dbraw/zinc/57/42/79/641574279.db2.gz VMLMLSZUMWIICN-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)CC ZINC000872041066 641575417 /nfs/dbraw/zinc/57/54/17/641575417.db2.gz PJTZUBGJSXMALU-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(O)c1F ZINC000872080766 641614838 /nfs/dbraw/zinc/61/48/38/641614838.db2.gz ZLJRKLLGFSCGOK-OLZOCXBDSA-N 2 0 280.387 2.914 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000872115167 641646114 /nfs/dbraw/zinc/64/61/14/641646114.db2.gz IGNOFEZHJFVBSQ-XHSDSOJGSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000872132603 641660122 /nfs/dbraw/zinc/66/01/22/641660122.db2.gz IQMVPDKRIHTLIY-JCGIZDLHSA-N 2 0 290.451 2.819 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC000872134515 641662067 /nfs/dbraw/zinc/66/20/67/641662067.db2.gz WSUYLLQJZCHBEO-IXDOHACOSA-N 2 0 290.451 2.961 20 0 CFADRP Fc1ccc(O[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000872146524 641674133 /nfs/dbraw/zinc/67/41/33/641674133.db2.gz PPTZVTNQSNFCSN-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146369 641674758 /nfs/dbraw/zinc/67/47/58/641674758.db2.gz MIICPGSCAFKZKS-GJZGRUSLSA-N 2 0 290.455 2.712 20 0 CFADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155197 641675160 /nfs/dbraw/zinc/67/51/60/641675160.db2.gz NLLZAFYNARCOPV-CVEARBPZSA-N 2 0 297.487 2.617 20 0 CFADRP Cc1ccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])cc1F ZINC000872155646 641677140 /nfs/dbraw/zinc/67/71/40/641677140.db2.gz XJNDSCCDVXYTDN-UHFFFAOYSA-N 2 0 295.402 2.524 20 0 CFADRP CCOCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156074 641677598 /nfs/dbraw/zinc/67/75/98/641677598.db2.gz DJLADHGFHOGZKP-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP COCCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158941 641678926 /nfs/dbraw/zinc/67/89/26/641678926.db2.gz ZMGGNZLEYURADH-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872158276 641679351 /nfs/dbraw/zinc/67/93/51/641679351.db2.gz UPLOKHVLNCRJQO-LZLYRXPVSA-N 3 0 293.499 2.606 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000872222900 641707640 /nfs/dbraw/zinc/70/76/40/641707640.db2.gz IEZMFKZDLPPICU-KRWDZBQOSA-N 2 0 284.488 2.884 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000872228556 641709857 /nfs/dbraw/zinc/70/98/57/641709857.db2.gz JQIURQYJAJHKOA-AQFXKWCLSA-N 2 0 294.414 2.712 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000872251055 641717458 /nfs/dbraw/zinc/71/74/58/641717458.db2.gz FFKLCZFDLZFLBC-MRXNPFEDSA-N 2 0 276.424 2.701 20 0 CFADRP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254321 641719083 /nfs/dbraw/zinc/71/90/83/641719083.db2.gz ZMVNTBUPWVIBEP-UWVGGRQHSA-N 2 0 252.324 2.695 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]cc3C3CC3)C2)C1 ZINC000872552542 641850789 /nfs/dbraw/zinc/85/07/89/641850789.db2.gz KDLFEOLBGBHSHV-QGZVFWFLSA-N 2 0 271.408 2.881 20 0 CFADRP CCOC[C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873205294 642065449 /nfs/dbraw/zinc/06/54/49/642065449.db2.gz MAEYMFQPLHDSBP-ZDUSSCGKSA-N 2 0 294.464 2.642 20 0 CFADRP C[C@H]([NH2+]Cc1cc(Cl)cs1)C1CC[NH2+]CC1 ZINC000873219878 642071530 /nfs/dbraw/zinc/07/15/30/642071530.db2.gz GWCNEHVCIOPRGD-VIFPVBQESA-N 2 0 258.818 2.879 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000873219996 642072843 /nfs/dbraw/zinc/07/28/43/642072843.db2.gz FHCIAYDJQLVTDV-UHOFOFEASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873219695 642073098 /nfs/dbraw/zinc/07/30/98/642073098.db2.gz FFPBONZUVGSVNI-UWVGGRQHSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)C1CC[NH2+]CC1 ZINC000873221111 642073709 /nfs/dbraw/zinc/07/37/09/642073709.db2.gz LKKGVHOFIGBQHC-SECBINFHSA-N 2 0 272.314 2.582 20 0 CFADRP C[C@@H]([NH2+]Cc1cscc1Cl)C1CC[NH2+]CC1 ZINC000873221323 642073924 /nfs/dbraw/zinc/07/39/24/642073924.db2.gz PPRZPJBCUSVKSC-SECBINFHSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220174 642074212 /nfs/dbraw/zinc/07/42/12/642074212.db2.gz LCMQIFWOURMHBG-CHWSQXEVSA-N 2 0 264.388 2.734 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH2+]CC1 ZINC000873221364 642074221 /nfs/dbraw/zinc/07/42/21/642074221.db2.gz RMHKVTQPSIZWMB-CYBMUJFWSA-N 2 0 288.435 2.878 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221114 642074429 /nfs/dbraw/zinc/07/44/29/642074429.db2.gz LMQJPVDVEVTMNE-GFCCVEGCSA-N 2 0 292.471 2.733 20 0 CFADRP C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CC[NH2+]CC1 ZINC000873222265 642074911 /nfs/dbraw/zinc/07/49/11/642074911.db2.gz JBVGJDYVFJELBI-ZDUSSCGKSA-N 2 0 284.407 2.554 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223814 642076479 /nfs/dbraw/zinc/07/64/79/642076479.db2.gz SSSIBPDGHBXXBM-KRWDZBQOSA-N 2 0 292.471 2.969 20 0 CFADRP COc1ccsc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223892 642078607 /nfs/dbraw/zinc/07/86/07/642078607.db2.gz UESAKYCIFKZRIY-OAHLLOKOSA-N 2 0 282.453 2.954 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC000873228845 642078993 /nfs/dbraw/zinc/07/89/93/642078993.db2.gz XHVVKBHCFSTANR-KFWWJZLASA-N 2 0 258.409 2.994 20 0 CFADRP COCCC1([NH2+]Cc2ccc(C)c(Cl)c2)CC[NH2+]CC1 ZINC000873225722 642079165 /nfs/dbraw/zinc/07/91/65/642079165.db2.gz YLMIMWABJGSWBG-UHFFFAOYSA-N 2 0 296.842 2.897 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cccc2c1NCC2 ZINC000873231264 642083907 /nfs/dbraw/zinc/08/39/07/642083907.db2.gz BQODARRQRAGYQF-UHFFFAOYSA-N 2 0 261.413 2.606 20 0 CFADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232265 642084929 /nfs/dbraw/zinc/08/49/29/642084929.db2.gz NWTCDUOJBHAQMJ-PBHICJAKSA-N 2 0 290.455 2.838 20 0 CFADRP CC(=O)Nc1ccccc1C[N@H+](C)CCCCCC[NH3+] ZINC000873231892 642085087 /nfs/dbraw/zinc/08/50/87/642085087.db2.gz XKAWOPBYQVWEAQ-UHFFFAOYSA-N 2 0 277.412 2.596 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232203 642085523 /nfs/dbraw/zinc/08/55/23/642085523.db2.gz MXSKHLVAOOWQRJ-INMHGKMJSA-N 2 0 282.472 2.889 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1nccn1-c1ccccc1 ZINC000873231328 642085537 /nfs/dbraw/zinc/08/55/37/642085537.db2.gz GIYGMGLSNJPBFI-UHFFFAOYSA-N 2 0 286.423 2.823 20 0 CFADRP Cc1nc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873233037 642086706 /nfs/dbraw/zinc/08/67/06/642086706.db2.gz WZXBKARMIIBONH-AWEZNQCLSA-N 2 0 279.453 2.854 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC2=CCCOC2)C1)C1CCCC1 ZINC000873232292 642086830 /nfs/dbraw/zinc/08/68/30/642086830.db2.gz OKMAVPBTDIIMAJ-QAPCUYQASA-N 2 0 292.467 2.953 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000873242772 642092323 /nfs/dbraw/zinc/09/23/23/642092323.db2.gz SLRZOKHOGPACEU-HNNXBMFYSA-N 3 0 269.477 2.604 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1OC ZINC000873248585 642095469 /nfs/dbraw/zinc/09/54/69/642095469.db2.gz GRSBBMKQRSLZGJ-SCRDCRAPSA-N 2 0 280.412 2.870 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000873249456 642096106 /nfs/dbraw/zinc/09/61/06/642096106.db2.gz ACRHNMAXUSQZDN-KKZNHRDASA-N 2 0 256.752 2.867 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000873251696 642097501 /nfs/dbraw/zinc/09/75/01/642097501.db2.gz NNAUQWZEMBBJJA-MJEQTWJJSA-N 2 0 285.366 2.637 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252939 642098597 /nfs/dbraw/zinc/09/85/97/642098597.db2.gz SSNSLLWDJSYBQK-ATIWLJMLSA-N 2 0 292.467 2.559 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873253435 642098696 /nfs/dbraw/zinc/09/86/96/642098696.db2.gz XNMKGRDVDHOOTB-WUHRBBMRSA-N 2 0 276.346 2.991 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000873253203 642099297 /nfs/dbraw/zinc/09/92/97/642099297.db2.gz UZIUXOOORVFSPG-QJPTWQEYSA-N 2 0 296.402 2.650 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253806 642100022 /nfs/dbraw/zinc/10/00/22/642100022.db2.gz FMDGMMOOGZGJCV-NFAWXSAZSA-N 2 0 262.397 2.863 20 0 CFADRP COCCC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000873255762 642101896 /nfs/dbraw/zinc/10/18/96/642101896.db2.gz HYIWEZPRHYDDMO-DAXOMENPSA-N 2 0 280.387 2.620 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256131 642101933 /nfs/dbraw/zinc/10/19/33/642101933.db2.gz LXXRDCBESLGJCV-MWQQHZPXSA-N 2 0 258.409 2.958 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000873257581 642102507 /nfs/dbraw/zinc/10/25/07/642102507.db2.gz UIIWHZXSCQJRJD-QBPKDAKJSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000873257443 642102561 /nfs/dbraw/zinc/10/25/61/642102561.db2.gz HRRXIANJKXOZGR-NHCYSSNCSA-N 2 0 270.323 2.676 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000873256508 642102655 /nfs/dbraw/zinc/10/26/55/642102655.db2.gz NHTZZNSJXIGGAH-XFMPKHEZSA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000873257626 642103366 /nfs/dbraw/zinc/10/33/66/642103366.db2.gz JDMGFBUHPKVRLV-GMTAPVOTSA-N 2 0 288.313 2.973 20 0 CFADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000873258186 642103504 /nfs/dbraw/zinc/10/35/04/642103504.db2.gz NOOAWDYHENIROJ-DCAQKATOSA-N 2 0 298.814 2.745 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000873257706 642103587 /nfs/dbraw/zinc/10/35/87/642103587.db2.gz WWAPRESQLINUMT-GBIKHYSHSA-N 2 0 266.385 2.690 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cn1 ZINC000873260684 642105472 /nfs/dbraw/zinc/10/54/72/642105472.db2.gz FPYRJYGUEVELLG-VTPLQMEGSA-N 2 0 279.815 2.916 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262266 642106544 /nfs/dbraw/zinc/10/65/44/642106544.db2.gz WPRQKIYKCTZHNP-OWLYRPNTSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000873263317 642107145 /nfs/dbraw/zinc/10/71/45/642107145.db2.gz IBAGBTZNKKLOFS-YTQIUSBHSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)C1CC[NH2+]CC1 ZINC000873267269 642109920 /nfs/dbraw/zinc/10/99/20/642109920.db2.gz AVMBNINZMJVPMO-QLJPJBMISA-N 2 0 280.362 2.930 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CCC2 ZINC000873268378 642110950 /nfs/dbraw/zinc/11/09/50/642110950.db2.gz VXFUKWUBGYLULI-MFKMUULPSA-N 2 0 279.453 2.807 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268725 642111084 /nfs/dbraw/zinc/11/10/84/642111084.db2.gz ZGHQLNXMYBKHMU-DYVFJYSZSA-N 2 0 258.409 2.960 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000873268618 642111176 /nfs/dbraw/zinc/11/11/76/642111176.db2.gz FWJRCUQGGCYJOG-CJNGLKHVSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CC[NH2+]CC1 ZINC000873268038 642111208 /nfs/dbraw/zinc/11/12/08/642111208.db2.gz PPIZSRICDVWISU-BDJLRTHQSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000873271588 642112608 /nfs/dbraw/zinc/11/26/08/642112608.db2.gz IYMVVPZREICPKP-QWRGUYRKSA-N 2 0 267.804 2.774 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000873271742 642112740 /nfs/dbraw/zinc/11/27/40/642112740.db2.gz KHAKVGWIPJTAGL-UWVGGRQHSA-N 2 0 267.442 2.799 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000873271974 642113456 /nfs/dbraw/zinc/11/34/56/642113456.db2.gz NZPZLNQHLXCSLT-QWRGUYRKSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000873271878 642113738 /nfs/dbraw/zinc/11/37/38/642113738.db2.gz NEOZPTWTLCKGFZ-KBXCAEBGSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000873274467 642114163 /nfs/dbraw/zinc/11/41/63/642114163.db2.gz VFPKRQUVCPHWCJ-WBAXXEDZSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000873274459 642114440 /nfs/dbraw/zinc/11/44/40/642114440.db2.gz VFPKRQUVCPHWCJ-FHLIZLRMSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000873275162 642115356 /nfs/dbraw/zinc/11/53/56/642115356.db2.gz IVWFUXFJEGLOOH-ZIAGYGMSSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873290784 642123224 /nfs/dbraw/zinc/12/32/24/642123224.db2.gz RZQVEHREGUJEBJ-QWHCGFSZSA-N 2 0 280.437 2.557 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291495 642123686 /nfs/dbraw/zinc/12/36/86/642123686.db2.gz WLDYYQCRRPOLEU-KBPBESRZSA-N 2 0 294.464 2.948 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291158 642123730 /nfs/dbraw/zinc/12/37/30/642123730.db2.gz UVIFXEHAAFQHDK-RDJZCZTQSA-N 2 0 288.435 2.804 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291306 642124139 /nfs/dbraw/zinc/12/41/39/642124139.db2.gz JMBGPMDUQGPUDF-KFWWJZLASA-N 2 0 280.456 2.559 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)oc1C ZINC000873294584 642125991 /nfs/dbraw/zinc/12/59/91/642125991.db2.gz XAAHFLXUEISXRP-HIFRSBDPSA-N 2 0 292.423 2.706 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294092 642126003 /nfs/dbraw/zinc/12/60/03/642126003.db2.gz SOUBANFUMXNGLT-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000876945360 643074772 /nfs/dbraw/zinc/07/47/72/643074772.db2.gz BCFOZCDMCSAALW-GHMZBOCLSA-N 2 0 265.228 2.502 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CC1(Cl)Cl)C[NH+]1CCCCC1 ZINC000876948496 643076593 /nfs/dbraw/zinc/07/65/93/643076593.db2.gz NAYFHCNGOXLJMK-VXGBXAGGSA-N 2 0 279.255 2.892 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876988903 643095229 /nfs/dbraw/zinc/09/52/29/643095229.db2.gz PSKFILOJNWYFIN-QWRGUYRKSA-N 2 0 265.228 2.502 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877019348 643106294 /nfs/dbraw/zinc/10/62/94/643106294.db2.gz KOFKTMJTSNOZRZ-UHFFFAOYSA-N 2 0 273.833 2.618 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000877036466 643114781 /nfs/dbraw/zinc/11/47/81/643114781.db2.gz RHCAWBYDFHRNQA-TWGQIWQCSA-N 2 0 288.435 2.525 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000877143647 643176316 /nfs/dbraw/zinc/17/63/16/643176316.db2.gz UMPMIOFVWLEBCB-LIRRHRJNSA-N 2 0 290.388 2.785 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2(C)CCCC2)CCO1 ZINC000877642055 643427053 /nfs/dbraw/zinc/42/70/53/643427053.db2.gz FHLCJAKDEXHYQX-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP COCC[N@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000877664835 643441997 /nfs/dbraw/zinc/44/19/97/643441997.db2.gz YPBSTIYYRHLTHP-UHFFFAOYSA-N 2 0 290.451 2.519 20 0 CFADRP C[NH+](C)C[C@@H]1C[NH+](CC2CCCCCC2)C[C@H]1C[NH+](C)C ZINC000877669466 643443963 /nfs/dbraw/zinc/44/39/63/643443963.db2.gz KMYOHIDSGXWJIZ-QZTJIDSGSA-N 3 0 295.515 2.628 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000877682663 643450831 /nfs/dbraw/zinc/45/08/31/643450831.db2.gz SHNAYVNZGQINQO-CVEARBPZSA-N 2 0 277.387 2.921 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3c(n1)CCC3)CC2 ZINC000877684489 643453151 /nfs/dbraw/zinc/45/31/51/643453151.db2.gz ONTBFCQSUOJODJ-UHFFFAOYSA-N 2 0 299.462 2.878 20 0 CFADRP CO[C@H](CC(C)C)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684722 643453387 /nfs/dbraw/zinc/45/33/87/643453387.db2.gz UTMRSIWJENNTTC-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684327 643453413 /nfs/dbraw/zinc/45/34/13/643453413.db2.gz MGZYYPGAXFCSGB-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC(CC)([NH+](C)C)CC2)CCO1 ZINC000877691070 643456681 /nfs/dbraw/zinc/45/66/81/643456681.db2.gz ZIAFZHBSBKYUPA-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP c1cn(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000126664437 643458840 /nfs/dbraw/zinc/45/88/40/643458840.db2.gz IAQBOCOBUUQWMS-SJLPKXTDSA-N 2 0 296.418 2.589 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000877698479 643460286 /nfs/dbraw/zinc/46/02/86/643460286.db2.gz XJGJCPBIZCXKOE-SJORKVTESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CC1(F)F ZINC000877711385 643477166 /nfs/dbraw/zinc/47/71/66/643477166.db2.gz GOPFDKIYBIORBX-GMKTYKIGSA-N 2 0 260.372 2.883 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718474 643482128 /nfs/dbraw/zinc/48/21/28/643482128.db2.gz JVIAETZVPXLGAB-JKSUJKDBSA-N 2 0 290.451 2.663 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC000877737895 643498186 /nfs/dbraw/zinc/49/81/86/643498186.db2.gz ITDPPPSZSKWFFG-YJBOKZPZSA-N 2 0 281.403 2.761 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccc(F)cc1 ZINC000877738769 643504066 /nfs/dbraw/zinc/50/40/66/643504066.db2.gz CYYRLWRFMSGVFS-KMFMINBZSA-N 2 0 276.399 2.955 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877742933 643516101 /nfs/dbraw/zinc/51/61/01/643516101.db2.gz HOKLWLFSQIOKES-STQMWFEESA-N 2 0 250.411 2.583 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877742902 643517093 /nfs/dbraw/zinc/51/70/93/643517093.db2.gz SEEPVITUWKBYLV-OIISXLGYSA-N 2 0 258.409 2.816 20 0 CFADRP Cc1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n(C)n1 ZINC000877767414 643546702 /nfs/dbraw/zinc/54/67/02/643546702.db2.gz HOHCUROFUJSYBK-UHFFFAOYSA-N 2 0 292.471 2.528 20 0 CFADRP CC(C)C[N@H+](CCC[C@H]1CCO1)CC1CC[NH+](C)CC1 ZINC000877767485 643546757 /nfs/dbraw/zinc/54/67/57/643546757.db2.gz KSACEDHDFFEOIA-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP COCC(C)(C)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794044 643559938 /nfs/dbraw/zinc/55/99/38/643559938.db2.gz DNOVBTBKHQHQPD-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CO[C@H](C[NH+]1CCC(C)([NH+]2CCCCC2)CC1)C1CC1 ZINC000877794902 643561195 /nfs/dbraw/zinc/56/11/95/643561195.db2.gz VIDSSLOZMTZLFR-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000877959898 643664882 /nfs/dbraw/zinc/66/48/82/643664882.db2.gz UUXJURVKQWDQMV-ZDUSSCGKSA-N 2 0 268.445 2.606 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877967638 643669453 /nfs/dbraw/zinc/66/94/53/643669453.db2.gz CUSVZNXFHAXQPU-KRWDZBQOSA-N 2 0 292.467 2.753 20 0 CFADRP FC(F)(F)OCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968099 643669751 /nfs/dbraw/zinc/66/97/51/643669751.db2.gz ITGOTIYYLZGANK-UHFFFAOYSA-N 2 0 294.361 2.721 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000877988383 643681142 /nfs/dbraw/zinc/68/11/42/643681142.db2.gz FZTZPIPZMWWODU-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000878106586 643738055 /nfs/dbraw/zinc/73/80/55/643738055.db2.gz IYHYYUYCKWYBIQ-KZNAEPCWSA-N 2 0 296.499 2.980 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)OC1 ZINC000878123523 643748570 /nfs/dbraw/zinc/74/85/70/643748570.db2.gz AXEXZRLQHJWPTI-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878156134 643764189 /nfs/dbraw/zinc/76/41/89/643764189.db2.gz IPIUXGPCPLGXME-MHORFTMASA-N 2 0 292.467 2.608 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878159089 643766668 /nfs/dbraw/zinc/76/66/68/643766668.db2.gz DNTHSPBXAQLNCB-LUKYLMHMSA-N 2 0 280.456 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)C[C@H]1C ZINC000878162292 643768977 /nfs/dbraw/zinc/76/89/77/643768977.db2.gz CYAKMNKUOQIUIF-PMPSAXMXSA-N 2 0 280.456 2.750 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878164638 643770569 /nfs/dbraw/zinc/77/05/69/643770569.db2.gz LNQZJYKWZFNVSW-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CC4(CCC4)C3)CC[C@H]21 ZINC000878198166 643789376 /nfs/dbraw/zinc/78/93/76/643789376.db2.gz UGNYUXUKVFQOHE-HZPDHXFCSA-N 2 0 262.441 2.983 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC(C)(C)OC1(C)C)C2 ZINC000878661820 643981152 /nfs/dbraw/zinc/98/11/52/643981152.db2.gz HSKJXZLESCMBGW-MAUKXSAKSA-N 2 0 294.483 2.998 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCSC(C)(C)C)C2)CC1 ZINC000878863698 644054473 /nfs/dbraw/zinc/05/44/73/644054473.db2.gz BYOCAQRMHODPSJ-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000878864276 644054806 /nfs/dbraw/zinc/05/48/06/644054806.db2.gz WYIFHZGTSYSEAI-GFCCVEGCSA-N 2 0 291.266 2.988 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1 ZINC000879208635 644176419 /nfs/dbraw/zinc/17/64/19/644176419.db2.gz CAXXSDHCNRPDKD-HZPDHXFCSA-N 2 0 280.456 2.894 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCC(C)(C)CO1)CC2 ZINC000879251200 644194597 /nfs/dbraw/zinc/19/45/97/644194597.db2.gz QOZLWKKOLUKSCP-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091847132 650909535 /nfs/dbraw/zinc/90/95/35/650909535.db2.gz KSHQLMQAWPKGCA-UHFFFAOYSA-N 2 0 262.397 2.576 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879580005 644335519 /nfs/dbraw/zinc/33/55/19/644335519.db2.gz DAPGZFMEWVJMMN-JZXOWHBKSA-N 2 0 270.420 2.742 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580762 644337332 /nfs/dbraw/zinc/33/73/32/644337332.db2.gz KFXOLONHCRAACY-IRXDYDNUSA-N 2 0 288.435 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000879582533 644338774 /nfs/dbraw/zinc/33/87/74/644338774.db2.gz SHEKPRITGHNMKQ-NVXWUHKLSA-N 2 0 276.399 2.784 20 0 CFADRP CC(C)C[N@H+](C[C@H](O)C(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879703609 644389179 /nfs/dbraw/zinc/38/91/79/644389179.db2.gz PYQUEZPSQXYZSG-INIZCTEOSA-N 2 0 284.488 2.693 20 0 CFADRP FC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000880236739 644599406 /nfs/dbraw/zinc/59/94/06/644599406.db2.gz HDNMQJWHPWKIFC-POHSLCEDSA-N 2 0 286.410 2.906 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000093215269 650935399 /nfs/dbraw/zinc/93/53/99/650935399.db2.gz BEYOSQMOHJIZER-UBHSHLNASA-N 2 0 278.396 2.624 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258618 644616912 /nfs/dbraw/zinc/61/69/12/644616912.db2.gz BFONORLKASAHBF-HUUCEWRRSA-N 2 0 282.391 2.748 20 0 CFADRP COC1(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCC1 ZINC000880259067 644617325 /nfs/dbraw/zinc/61/73/25/644617325.db2.gz MBYGFKTXZJBOCY-OAHLLOKOSA-N 2 0 289.423 2.551 20 0 CFADRP C=C/C=C\CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259438 644617715 /nfs/dbraw/zinc/61/77/15/644617715.db2.gz SXHNZCOFDIIGAN-FOSCPCJNSA-N 2 0 257.381 2.724 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880474179 644728670 /nfs/dbraw/zinc/72/86/70/644728670.db2.gz FQANGBUMYKOUFV-IAGOWNOFSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)CC[N@@H+]1C ZINC000248782255 650945856 /nfs/dbraw/zinc/94/58/56/650945856.db2.gz IARVSSVLYWWQEN-DVOMOZLQSA-N 2 0 296.842 2.620 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880579456 644776676 /nfs/dbraw/zinc/77/66/76/644776676.db2.gz WPLRKEXVPAFRIR-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249049907 650953507 /nfs/dbraw/zinc/95/35/07/650953507.db2.gz XGFPWIFDFOKBQL-HZPDHXFCSA-N 2 0 266.429 2.637 20 0 CFADRP Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250114225 650971350 /nfs/dbraw/zinc/97/13/50/650971350.db2.gz LNPLLHVWSWVBES-GVDBMIGSSA-N 2 0 276.399 2.879 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250179366 650972148 /nfs/dbraw/zinc/97/21/48/650972148.db2.gz UJRULYJVDSWOPL-RCCFBDPRSA-N 2 0 288.435 2.843 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250827344 650980672 /nfs/dbraw/zinc/98/06/72/650980672.db2.gz YOOOKIFINMVKOU-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000250997192 650982494 /nfs/dbraw/zinc/98/24/94/650982494.db2.gz OEEJZLUZBOCKCB-HUUCEWRRSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCSC1 ZINC000252180811 650999961 /nfs/dbraw/zinc/99/99/61/650999961.db2.gz PZPUSAPPDXYPLQ-KGLIPLIRSA-N 2 0 256.459 2.736 20 0 CFADRP Cc1c[nH+]ccc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000882820586 645470936 /nfs/dbraw/zinc/47/09/36/645470936.db2.gz UBJHNTYOLDDMLS-AWEZNQCLSA-N 2 0 268.364 2.500 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1F ZINC000252847176 651026945 /nfs/dbraw/zinc/02/69/45/651026945.db2.gz FWPDLODVCQEJIU-DZKIICNBSA-N 2 0 262.372 2.693 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883172873 645640008 /nfs/dbraw/zinc/64/00/08/645640008.db2.gz WLGNMOPUNRESDS-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)CC[C@H]1C ZINC000883217191 645670972 /nfs/dbraw/zinc/67/09/72/645670972.db2.gz DHYABTNQHUGVEJ-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@H]1CCCSC1 ZINC000131263309 645679421 /nfs/dbraw/zinc/67/94/21/645679421.db2.gz AQJMNNSUEGEBME-AWEZNQCLSA-N 2 0 258.475 2.984 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCCSC1 ZINC000131373723 645716449 /nfs/dbraw/zinc/71/64/49/645716449.db2.gz LKMDWIVOTXYHLD-CQSZACIVSA-N 2 0 258.475 2.984 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000131392291 645719001 /nfs/dbraw/zinc/71/90/01/645719001.db2.gz SODPDOSUUMTALU-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)C1CC[NH+](C)CC1 ZINC000883326068 645742481 /nfs/dbraw/zinc/74/24/81/645742481.db2.gz RMTGBKANFQUROO-LLVKDONJSA-N 2 0 282.815 2.866 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883364486 645771468 /nfs/dbraw/zinc/77/14/68/645771468.db2.gz HPGBBGRFNNTVIR-WBVHZDCISA-N 2 0 280.456 2.941 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883415841 645809865 /nfs/dbraw/zinc/80/98/65/645809865.db2.gz FZCMKBUSXFSODD-QZTJIDSGSA-N 2 0 288.435 2.968 20 0 CFADRP [NH3+]C1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883415453 645809982 /nfs/dbraw/zinc/80/99/82/645809982.db2.gz WBQRDMJNIPEFDV-SJORKVTESA-N 2 0 274.408 2.720 20 0 CFADRP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](CC2CC[NH2+]CC2)C1 ZINC000883412926 645810146 /nfs/dbraw/zinc/81/01/46/645810146.db2.gz UBMRZOWMRMUMNJ-YOEHRIQHSA-N 2 0 256.393 2.920 20 0 CFADRP CC1(C)CCC[C@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)O1 ZINC000883428065 645821934 /nfs/dbraw/zinc/82/19/34/645821934.db2.gz KWEIRXONYDUAIE-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)O1 ZINC000883430078 645823660 /nfs/dbraw/zinc/82/36/60/645823660.db2.gz MRPJDUNLQUEEAY-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCCC(C)(C)O1)CC[NH2+]CC2 ZINC000883434331 645828341 /nfs/dbraw/zinc/82/83/41/645828341.db2.gz NNCJZWNYGFSDGU-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000883435269 645829347 /nfs/dbraw/zinc/82/93/47/645829347.db2.gz NRSPRUWQGNMDGT-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP CO[C@@]1(C(F)(F)F)CC[N@H+](CCCCCCC[NH3+])C1 ZINC000883448112 645837296 /nfs/dbraw/zinc/83/72/96/645837296.db2.gz UTRGRQZNEGGYSS-LBPRGKRZSA-N 2 0 282.350 2.549 20 0 CFADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447758 645837485 /nfs/dbraw/zinc/83/74/85/645837485.db2.gz KSLSLWLYAMPYGX-INIZCTEOSA-N 3 0 290.455 2.501 20 0 CFADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000884038005 646131082 /nfs/dbraw/zinc/13/10/82/646131082.db2.gz UEEQZZNLILXJHK-SMDDNHRTSA-N 2 0 277.412 2.654 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC000135371757 646525921 /nfs/dbraw/zinc/52/59/21/646525921.db2.gz RGCFHMOUIMROPX-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCOC2CCCCC2)CC1 ZINC000885957926 646783076 /nfs/dbraw/zinc/78/30/76/646783076.db2.gz ANFJRNXOCUWBAD-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1n[nH]c(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1C ZINC000885988787 646798517 /nfs/dbraw/zinc/79/85/17/646798517.db2.gz OFTQVLUNCBKFJD-UHFFFAOYSA-N 2 0 290.386 2.517 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C/C=C\c2cccc(F)c2)CC[N@@H+]1C ZINC000886000105 646805156 /nfs/dbraw/zinc/80/51/56/646805156.db2.gz VGZJLJKHSSFDJQ-COVNITIESA-N 2 0 262.372 2.911 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886019350 646821531 /nfs/dbraw/zinc/82/15/31/646821531.db2.gz RQBBWWMFWGAUCL-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886032769 646832103 /nfs/dbraw/zinc/83/21/03/646832103.db2.gz NMRMVQYWTOBATL-SJORKVTESA-N 2 0 280.456 2.750 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)CO3)CC[C@H]21 ZINC000886044293 646839623 /nfs/dbraw/zinc/83/96/23/646839623.db2.gz VIUVUJAGJROPED-IXDOHACOSA-N 2 0 292.467 2.752 20 0 CFADRP Cc1coc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000886054818 646845932 /nfs/dbraw/zinc/84/59/32/646845932.db2.gz MHLWPJUNOXDNCJ-UHFFFAOYSA-N 2 0 285.391 2.989 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)CO2)[C@@H](C)C1 ZINC000886070769 646854220 /nfs/dbraw/zinc/85/42/20/646854220.db2.gz XGTOKGRWDQHHMG-BBWFWOEESA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOC3CCCCC3)C2)C1 ZINC000886217946 646925607 /nfs/dbraw/zinc/92/56/07/646925607.db2.gz KXMNEENJLQQYBT-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886305918 646960490 /nfs/dbraw/zinc/96/04/90/646960490.db2.gz UIPAZYOACMADKP-IAGOWNOFSA-N 2 0 292.467 2.753 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000886311693 646964080 /nfs/dbraw/zinc/96/40/80/646964080.db2.gz BYVLOORTQVBFMI-HNNXBMFYSA-N 2 0 294.414 2.839 20 0 CFADRP CCC[C@@](C)(O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886526529 647030023 /nfs/dbraw/zinc/03/00/23/647030023.db2.gz NLLXQTVNGPYOJC-OFLPRAFFSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000886533351 647033439 /nfs/dbraw/zinc/03/34/39/647033439.db2.gz ZEAWTMAPNMNGMV-NALMEZQBSA-N 2 0 293.499 2.856 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000886555561 647045605 /nfs/dbraw/zinc/04/56/05/647045605.db2.gz WEQJMJOESOXYRO-WXFZTKORSA-N 2 0 280.456 2.677 20 0 CFADRP c1cnc2c(c1)CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000886615183 647068967 /nfs/dbraw/zinc/06/89/67/647068967.db2.gz ADBUABLDISMTQQ-MRXNPFEDSA-N 2 0 273.424 2.925 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H](C)O ZINC000886620528 647071821 /nfs/dbraw/zinc/07/18/21/647071821.db2.gz MKMNTNJZQDABTH-CIDNJEQPSA-N 2 0 268.445 2.533 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886620956 647072477 /nfs/dbraw/zinc/07/24/77/647072477.db2.gz XKSLZGCXDREDJT-CKDBGZEDSA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000886621064 647072654 /nfs/dbraw/zinc/07/26/54/647072654.db2.gz ZULGQPXWWFWDHD-ZLZJIPBDSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cnn(C)c1 ZINC000886623464 647073705 /nfs/dbraw/zinc/07/37/05/647073705.db2.gz DWCASRLUNKHVHS-INIZCTEOSA-N 2 0 283.379 2.555 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000886626813 647075281 /nfs/dbraw/zinc/07/52/81/647075281.db2.gz LLLGKZMZBCVFRP-ZLZJIPBDSA-N 2 0 294.483 2.924 20 0 CFADRP CCCN1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886638380 647081455 /nfs/dbraw/zinc/08/14/55/647081455.db2.gz SCXQDAPSBHGBRT-LXPRWKDFSA-N 3 0 293.499 2.857 20 0 CFADRP CCOC(=O)CCCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886710872 647118657 /nfs/dbraw/zinc/11/86/57/647118657.db2.gz IABJHLVFUDXREP-UHFFFAOYSA-N 2 0 296.455 2.670 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2OC)[C@H](C)C1 ZINC000886721655 647122682 /nfs/dbraw/zinc/12/26/82/647122682.db2.gz GHMXKAFRFPQJJM-CJNGLKHVSA-N 2 0 294.414 2.697 20 0 CFADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000886857934 647162749 /nfs/dbraw/zinc/16/27/49/647162749.db2.gz GILLVKJSZTZRLW-AGIUHOORSA-N 2 0 276.346 2.650 20 0 CFADRP Fc1cccc(F)c1[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000886859905 647163054 /nfs/dbraw/zinc/16/30/54/647163054.db2.gz JQMOKTIPZJGKRM-OLZOCXBDSA-N 2 0 280.362 2.754 20 0 CFADRP COc1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886874555 647165028 /nfs/dbraw/zinc/16/50/28/647165028.db2.gz QGBHGTWJYDBBRX-KRWDZBQOSA-N 2 0 274.408 2.661 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000886874524 647165638 /nfs/dbraw/zinc/16/56/38/647165638.db2.gz PSCHAPCUDPKDLC-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000886876107 647166271 /nfs/dbraw/zinc/16/62/71/647166271.db2.gz INNGFSNWMJAVAK-WBVHZDCISA-N 2 0 280.456 2.800 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876147 647167015 /nfs/dbraw/zinc/16/70/15/647167015.db2.gz PAOGXDOBKKOEPQ-IRXDYDNUSA-N 2 0 292.467 2.944 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(F)cc1 ZINC000925497383 647843029 /nfs/dbraw/zinc/84/30/29/647843029.db2.gz WGVUPQBAFFOBSU-JXKRQKLTSA-N 2 0 274.383 2.515 20 0 CFADRP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C1(Br)CC1 ZINC000924952314 648077514 /nfs/dbraw/zinc/07/75/14/648077514.db2.gz VCZUCJAJABBHSN-VXGBXAGGSA-N 2 0 291.277 2.868 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000924584321 648001158 /nfs/dbraw/zinc/00/11/58/648001158.db2.gz VXEUQWPEJVXLGD-RVKKMQEKSA-N 2 0 288.435 2.795 20 0 CFADRP CC(C)CC[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000924593185 648003104 /nfs/dbraw/zinc/00/31/04/648003104.db2.gz WIEXZTYURVYQOX-UHFFFAOYSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000924618306 648009804 /nfs/dbraw/zinc/00/98/04/648009804.db2.gz XHZPXLAPSMGJSI-AWEZNQCLSA-N 2 0 278.444 2.989 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000924686072 648026543 /nfs/dbraw/zinc/02/65/43/648026543.db2.gz KJKDMWUHJSISGZ-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn(C)cn1 ZINC000924684705 648026978 /nfs/dbraw/zinc/02/69/78/648026978.db2.gz MTHIKPHXNVGRKV-OAGGEKHMSA-N 2 0 292.471 2.829 20 0 CFADRP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CO1 ZINC000924695521 648028676 /nfs/dbraw/zinc/02/86/76/648028676.db2.gz LVPDEDFSNIBEKV-GJEMEMOUSA-N 2 0 278.440 2.551 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000924696342 648030063 /nfs/dbraw/zinc/03/00/63/648030063.db2.gz OMTSRNFLSZAOIJ-QZTJIDSGSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(Cl)CC1 ZINC000924704370 648031423 /nfs/dbraw/zinc/03/14/23/648031423.db2.gz NSGKHWUVUJOHGP-ZDUSSCGKSA-N 2 0 296.842 2.877 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1(Br)CC1 ZINC000924717679 648034628 /nfs/dbraw/zinc/03/46/28/648034628.db2.gz WDWLOTVBDFHSHW-NWDGAFQWSA-N 2 0 289.261 2.624 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1(Br)CC1)C[NH+]1CCCC1 ZINC000924717678 648035010 /nfs/dbraw/zinc/03/50/10/648035010.db2.gz WDWLOTVBDFHSHW-NEPJUHHUSA-N 2 0 289.261 2.624 20 0 CFADRP C[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)C[NH+]1CCCCC1 ZINC000924722720 648035645 /nfs/dbraw/zinc/03/56/45/648035645.db2.gz UGHIIWKWHUFNPL-XNIRIUNOSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000924829848 648055377 /nfs/dbraw/zinc/05/53/77/648055377.db2.gz SRKHHPCZVZEHDS-RHSMWYFYSA-N 2 0 276.424 2.651 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000924953458 648077944 /nfs/dbraw/zinc/07/79/44/648077944.db2.gz BXKQINJVXXIYCE-ZDUSSCGKSA-N 2 0 277.412 2.560 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+]C1CCN(OCC)CC1 ZINC000924960738 648080525 /nfs/dbraw/zinc/08/05/25/648080525.db2.gz RJDZVGRBQPBPGD-QGZVFWFLSA-N 2 0 297.487 2.647 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)N(C)C1CC1 ZINC000924965788 648082018 /nfs/dbraw/zinc/08/20/18/648082018.db2.gz BFNQFNVNMOUUAZ-GJZGRUSLSA-N 2 0 289.467 2.882 20 0 CFADRP Cc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000925008023 648087219 /nfs/dbraw/zinc/08/72/19/648087219.db2.gz AXNSIJHXWIGMMY-ZBFHGGJFSA-N 2 0 258.409 2.914 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ncnn21 ZINC000925047669 648094460 /nfs/dbraw/zinc/09/44/60/648094460.db2.gz BKAWKCXESBLQEL-HUUCEWRRSA-N 2 0 291.443 2.530 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(OC)ccn2)CC1 ZINC000925152741 648118435 /nfs/dbraw/zinc/11/84/35/648118435.db2.gz SNUXZDFVDILBLG-AWEZNQCLSA-N 2 0 291.439 2.863 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C(C)(C)CO ZINC000925228241 648136587 /nfs/dbraw/zinc/13/65/87/648136587.db2.gz HFBGBGJTLCLRGL-FHERZECASA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000925304400 648153761 /nfs/dbraw/zinc/15/37/61/648153761.db2.gz UCDJGPCGVFWLLY-UHFFFAOYSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)C[C@@H](C)O)CC1 ZINC000925462462 648175248 /nfs/dbraw/zinc/17/52/48/648175248.db2.gz KGJVBJOCZBCZSM-OAHLLOKOSA-N 2 0 284.488 2.884 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccc(F)cc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925476265 648178396 /nfs/dbraw/zinc/17/83/96/648178396.db2.gz HGUZMMPWUKAACN-VNQPRFMTSA-N 2 0 294.389 2.874 20 0 CFADRP CC1(C)[C@H]([NH2+]CCSC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925486652 648180974 /nfs/dbraw/zinc/18/09/74/648180974.db2.gz SGKZBANVOPYZHT-KXUCPTDWSA-N 2 0 282.375 2.606 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000925489576 648182266 /nfs/dbraw/zinc/18/22/66/648182266.db2.gz KURKAXFIYWNQIZ-RBSFLKMASA-N 2 0 258.409 2.822 20 0 CFADRP c1ccc([C@H](CN[C@@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)cc1 ZINC000925491528 648182516 /nfs/dbraw/zinc/18/25/16/648182516.db2.gz DFPPFACFULGIJB-ZWKOTPCHSA-N 2 0 299.462 2.698 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925504286 648188011 /nfs/dbraw/zinc/18/80/11/648188011.db2.gz LKAHICMCIOKVKD-HZSPNIEDSA-N 2 0 295.496 2.846 20 0 CFADRP COCc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1F ZINC000925509276 648190782 /nfs/dbraw/zinc/19/07/82/648190782.db2.gz MUZNXKKPVNRRTH-CABCVRRESA-N 2 0 294.414 2.968 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2ccccc2F)C[C@@H]([NH3+])C1 ZINC000925510233 648191433 /nfs/dbraw/zinc/19/14/33/648191433.db2.gz UVJFRFLXIHPUGD-KGLIPLIRSA-N 2 0 264.388 2.864 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCOc2ccccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510532 648191439 /nfs/dbraw/zinc/19/14/39/648191439.db2.gz WNTOHQDVQJJGCH-KCXAZCMYSA-N 2 0 292.398 2.571 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2cccs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925509957 648191697 /nfs/dbraw/zinc/19/16/97/648191697.db2.gz QQYGBRPIMDDIHG-HZSPNIEDSA-N 2 0 264.438 2.657 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925513117 648192543 /nfs/dbraw/zinc/19/25/43/648192543.db2.gz HRTNBLRKAYEGDZ-QGZVFWFLSA-N 2 0 289.467 2.759 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)C2)cc1 ZINC000925513387 648192547 /nfs/dbraw/zinc/19/25/47/648192547.db2.gz IZEHDVUQKWIBAF-RYQLBKOJSA-N 2 0 299.462 2.823 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C12CCC2 ZINC000925515422 648193780 /nfs/dbraw/zinc/19/37/80/648193780.db2.gz IFYBSYFQUQWJDT-CBBWQLFWSA-N 2 0 280.456 2.830 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)C1 ZINC000925520388 648196434 /nfs/dbraw/zinc/19/64/34/648196434.db2.gz FYIIREAYXKZTAB-GVDBMIGSSA-N 2 0 290.451 2.648 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCC2 ZINC000925529626 648202511 /nfs/dbraw/zinc/20/25/11/648202511.db2.gz ZYKSRIAWNDJEKB-ZWKOTPCHSA-N 3 0 299.462 2.642 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)COC1CCCC1 ZINC000925533184 648204878 /nfs/dbraw/zinc/20/48/78/648204878.db2.gz YKZUHLAWPNNMTM-OAHLLOKOSA-N 2 0 266.429 2.600 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+](C)C ZINC000925536683 648205620 /nfs/dbraw/zinc/20/56/20/648205620.db2.gz QMXOVNINZRINJR-FGTMMUONSA-N 2 0 295.515 2.721 20 0 CFADRP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925540810 648207943 /nfs/dbraw/zinc/20/79/43/648207943.db2.gz RBTJWSCLKXLDSE-NWDGAFQWSA-N 2 0 279.428 2.795 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccncc1 ZINC000925540561 648208085 /nfs/dbraw/zinc/20/80/85/648208085.db2.gz CVXCTGCFNQUMHJ-DRPJVOAASA-N 2 0 273.424 2.551 20 0 CFADRP COC1CCC(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925542837 648209247 /nfs/dbraw/zinc/20/92/47/648209247.db2.gz PSYOIONIDWQVLY-GQKFXUNGSA-N 2 0 268.445 2.687 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925542839 648209676 /nfs/dbraw/zinc/20/96/76/648209676.db2.gz PSYOIONIDWQVLY-RAFNIBEQSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cc(F)cc(F)c1 ZINC000925545137 648210376 /nfs/dbraw/zinc/21/03/76/648210376.db2.gz BWYBDHKKWKMXKF-RJAIZQQDSA-N 2 0 280.362 2.613 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000925547419 648211704 /nfs/dbraw/zinc/21/17/04/648211704.db2.gz UZJRUJOEYUNMSU-FVQBIDKESA-N 2 0 295.496 2.861 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925553190 648213470 /nfs/dbraw/zinc/21/34/70/648213470.db2.gz OKKVKXWAYDRJBB-DLBZAZTESA-N 3 0 295.515 2.994 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925553184 648213525 /nfs/dbraw/zinc/21/35/25/648213525.db2.gz OGWUNJUGQAAYJZ-BRWVUGGUSA-N 3 0 295.515 2.994 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925554855 648214571 /nfs/dbraw/zinc/21/45/71/648214571.db2.gz DJGAUBXNVOHOFH-ZTEIYONCSA-N 2 0 292.467 2.533 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925557841 648215315 /nfs/dbraw/zinc/21/53/15/648215315.db2.gz PXDVHAQQBQDQLO-NUEKZKHPSA-N 2 0 272.392 2.542 20 0 CFADRP COCCC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000925567389 648220855 /nfs/dbraw/zinc/22/08/55/648220855.db2.gz JWDPMCWAXCERLN-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925570935 648222568 /nfs/dbraw/zinc/22/25/68/648222568.db2.gz ZHGVKMZSEXVBOC-YJBOKZPZSA-N 2 0 289.467 2.757 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)C12CCC2 ZINC000925579257 648225842 /nfs/dbraw/zinc/22/58/42/648225842.db2.gz KPHZEXLVGHWDHF-HZPDHXFCSA-N 2 0 296.418 2.506 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCCO1 ZINC000925580090 648225862 /nfs/dbraw/zinc/22/58/62/648225862.db2.gz JRZMZVKZBYHJJF-HUUCEWRRSA-N 2 0 280.456 2.846 20 0 CFADRP C(CC1CCC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925582095 648226769 /nfs/dbraw/zinc/22/67/69/648226769.db2.gz XAZGYJBSBDXGIG-HOTGVXAUSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2ccc(F)cc2)C[C@@H]([NH3+])C1 ZINC000925585023 648227350 /nfs/dbraw/zinc/22/73/50/648227350.db2.gz RISBCHNAORFRKU-KGLIPLIRSA-N 2 0 280.387 2.700 20 0 CFADRP C1CCC([C@H]2C[NH2+]CC[C@@H]2[NH2+]C2CCSCC2)C1 ZINC000925589630 648230601 /nfs/dbraw/zinc/23/06/01/648230601.db2.gz AITZQZKNRJFEQN-CABCVRRESA-N 2 0 268.470 2.640 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925596453 648232641 /nfs/dbraw/zinc/23/26/41/648232641.db2.gz MYKMBJQFYNHIBI-ILXRZTDVSA-N 2 0 250.430 2.790 20 0 CFADRP c1ccc([C@H]2C[C@H](N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925605045 648236586 /nfs/dbraw/zinc/23/65/86/648236586.db2.gz OCTUITDOWPHQTQ-JYJNAYRXSA-N 2 0 256.393 2.807 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925606066 648237529 /nfs/dbraw/zinc/23/75/29/648237529.db2.gz LJKGESIVKVWTNA-QGZVFWFLSA-N 3 0 277.456 2.787 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925607087 648237635 /nfs/dbraw/zinc/23/76/35/648237635.db2.gz NGWZDAJIEAGQGR-HRCADAONSA-N 2 0 276.424 2.524 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925614126 648239676 /nfs/dbraw/zinc/23/96/76/648239676.db2.gz AQGYUEIKKQNUPL-IRXDYDNUSA-N 2 0 293.499 2.619 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615557 648240107 /nfs/dbraw/zinc/24/01/07/648240107.db2.gz OKQWLDKKIXJPDM-PGOFDVKTSA-N 2 0 268.445 2.566 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000925616500 648241763 /nfs/dbraw/zinc/24/17/63/648241763.db2.gz MJCGCFAAZPQDFU-RRFJBIMHSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925618349 648242256 /nfs/dbraw/zinc/24/22/56/648242256.db2.gz ZREKSFOFZBPERA-RBGFHDKUSA-N 2 0 280.456 2.556 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CCCN[C@@H]2C)c1 ZINC000925621328 648244328 /nfs/dbraw/zinc/24/43/28/648244328.db2.gz HCINDQMICOHLQI-CZUORRHYSA-N 2 0 276.424 2.703 20 0 CFADRP Cc1cnccc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925626915 648246902 /nfs/dbraw/zinc/24/69/02/648246902.db2.gz VDCXIBBSUBKDDK-MSOLQXFVSA-N 2 0 287.451 2.690 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627597 648247832 /nfs/dbraw/zinc/24/78/32/648247832.db2.gz WJTRNHKVJPFZIC-RBGFHDKUSA-N 2 0 294.483 2.946 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000925630900 648250429 /nfs/dbraw/zinc/25/04/29/648250429.db2.gz SIMXGASPDGNLDN-RCRILGIPSA-N 2 0 284.447 2.897 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)C[C@@H]([NH3+])C1 ZINC000925637299 648254608 /nfs/dbraw/zinc/25/46/08/648254608.db2.gz ZBACXUJLUGZBGN-QLFBSQMISA-N 2 0 296.455 2.558 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925637435 648255044 /nfs/dbraw/zinc/25/50/44/648255044.db2.gz LDRREONPAWQFTA-JOCBIADPSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](CCN[C@H]1CC[NH2+]C12CCCC2)[NH+]1CCCCC1 ZINC000925637919 648255778 /nfs/dbraw/zinc/25/57/78/648255778.db2.gz UTRGONDQFLBWJH-CVEARBPZSA-N 2 0 279.472 2.515 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C12CCC2 ZINC000925638556 648255933 /nfs/dbraw/zinc/25/59/33/648255933.db2.gz DPCSXUCSCJOFEY-OLZOCXBDSA-N 2 0 266.335 2.984 20 0 CFADRP C[C@@H](CCN[C@H]1CC[NH2+]C12CCCC2)[NH+]1CCCCC1 ZINC000925637920 648256394 /nfs/dbraw/zinc/25/63/94/648256394.db2.gz UTRGONDQFLBWJH-HOTGVXAUSA-N 2 0 279.472 2.515 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CCCCC1 ZINC000925643245 648257953 /nfs/dbraw/zinc/25/79/53/648257953.db2.gz JMRTZFAKNBPFJR-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000925645222 648258840 /nfs/dbraw/zinc/25/88/40/648258840.db2.gz OWYHIUOUYYOAFA-CBYVUKHWSA-N 2 0 290.382 2.755 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925645721 648259329 /nfs/dbraw/zinc/25/93/29/648259329.db2.gz RVRITUUHVMHQHX-HOTGVXAUSA-N 2 0 290.451 2.910 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)cn(C)c2c1 ZINC000925645340 648259372 /nfs/dbraw/zinc/25/93/72/648259372.db2.gz PUCCJQUUBBVVKY-QZTJIDSGSA-N 2 0 297.446 2.889 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925650928 648261405 /nfs/dbraw/zinc/26/14/05/648261405.db2.gz SMLNBSDJXPZKPN-NILFDRSVSA-N 2 0 294.826 2.967 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000925650990 648261546 /nfs/dbraw/zinc/26/15/46/648261546.db2.gz UKEYKSHOFSQIBG-RDJZCZTQSA-N 2 0 289.467 2.787 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925649838 648261655 /nfs/dbraw/zinc/26/16/55/648261655.db2.gz PICQHXJAYSEHBN-ILXRZTDVSA-N 2 0 292.471 2.655 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925654610 648264070 /nfs/dbraw/zinc/26/40/70/648264070.db2.gz GFBQIJFESIHRPA-QNWHQSFQSA-N 2 0 272.383 2.788 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925656732 648265609 /nfs/dbraw/zinc/26/56/09/648265609.db2.gz KYCOBTDMBCYRDK-KGLIPLIRSA-N 2 0 268.470 2.640 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925657499 648266873 /nfs/dbraw/zinc/26/68/73/648266873.db2.gz CNVQTUXYSJUBNB-OWCLPIDISA-N 2 0 274.408 2.624 20 0 CFADRP CCSCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925662551 648268769 /nfs/dbraw/zinc/26/87/69/648268769.db2.gz JFVOZEWFDXJNQQ-CABCVRRESA-N 2 0 270.486 2.888 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925664308 648269506 /nfs/dbraw/zinc/26/95/06/648269506.db2.gz CVJINQOBYGGROL-HOCLYGCPSA-N 2 0 275.440 2.818 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)c1ccccc1 ZINC000925669047 648270634 /nfs/dbraw/zinc/27/06/34/648270634.db2.gz OCRCHFGKXKYEAP-HNKHHVNMSA-N 2 0 276.424 2.604 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925667824 648270934 /nfs/dbraw/zinc/27/09/34/648270934.db2.gz DTCRIBOBAJDWHH-CABCVRRESA-N 2 0 276.449 2.909 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925670155 648271606 /nfs/dbraw/zinc/27/16/06/648271606.db2.gz IWMLVBBWWUNIPV-YESZJQIVSA-N 2 0 290.451 2.778 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925674879 648274763 /nfs/dbraw/zinc/27/47/63/648274763.db2.gz DUVUJRRHBVWUNL-ILXRZTDVSA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccn1 ZINC000925679520 648277290 /nfs/dbraw/zinc/27/72/90/648277290.db2.gz JBTAMFCHCOBEEK-KBMXLJTQSA-N 2 0 287.451 2.725 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925681220 648277301 /nfs/dbraw/zinc/27/73/01/648277301.db2.gz UGJPTHNYZADWPO-RWCUPDDMSA-N 2 0 282.431 2.693 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1(O)CCCC1 ZINC000925688593 648281843 /nfs/dbraw/zinc/28/18/43/648281843.db2.gz FDHLGMANHYRKGU-CQSZACIVSA-N 2 0 280.456 2.582 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)O1 ZINC000925696880 648283481 /nfs/dbraw/zinc/28/34/81/648283481.db2.gz VAZRPJFKZOPADW-FVQBIDKESA-N 2 0 262.397 2.624 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925696640 648283521 /nfs/dbraw/zinc/28/35/21/648283521.db2.gz AAAJACAWQDSHAO-OAHLLOKOSA-N 3 0 263.429 2.574 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C[C@@H]([NH3+])C1 ZINC000925701659 648286128 /nfs/dbraw/zinc/28/61/28/648286128.db2.gz CXOPCFOMWSEBFF-ILXRZTDVSA-N 2 0 273.424 2.519 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925704357 648287136 /nfs/dbraw/zinc/28/71/36/648287136.db2.gz GJSUQIYCWDWBED-OPQOLIRYSA-N 3 0 293.499 2.617 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925703998 648287338 /nfs/dbraw/zinc/28/73/38/648287338.db2.gz GJIMEGQPPLJCFM-KFWWJZLASA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925707200 648289262 /nfs/dbraw/zinc/28/92/62/648289262.db2.gz CYCJQKPXYAZCPY-QZTJIDSGSA-N 3 0 295.515 2.722 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925708696 648289759 /nfs/dbraw/zinc/28/97/59/648289759.db2.gz RRUMQJCOGHHKSK-GVDBMIGSSA-N 2 0 293.499 2.617 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCC(F)CC1 ZINC000925707192 648289928 /nfs/dbraw/zinc/28/99/28/648289928.db2.gz CTOYWNXEGFOECP-LIFJSUHQSA-N 2 0 254.393 2.620 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710698 648290458 /nfs/dbraw/zinc/29/04/58/648290458.db2.gz XOIXQSGGUILDJW-IAGOWNOFSA-N 2 0 275.440 2.541 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1noc2ccccc21 ZINC000925711868 648291485 /nfs/dbraw/zinc/29/14/85/648291485.db2.gz FAYOGWRNUQIAJP-PHDAOHEYSA-N 2 0 299.418 2.866 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)C12CCC2 ZINC000925711263 648291872 /nfs/dbraw/zinc/29/18/72/648291872.db2.gz ZDAYGPSPKOUTCK-CABCVRRESA-N 2 0 256.349 2.792 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccn1 ZINC000925714481 648293646 /nfs/dbraw/zinc/29/36/46/648293646.db2.gz RMDINXPFWKQDOD-QGPMSJSTSA-N 2 0 287.451 2.943 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925722607 648297885 /nfs/dbraw/zinc/29/78/85/648297885.db2.gz MLJOAPRWVHDPOJ-DLBZAZTESA-N 3 0 295.515 2.993 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)CO2 ZINC000925723337 648298010 /nfs/dbraw/zinc/29/80/10/648298010.db2.gz PYWVTABRNDKVRU-ZNMIVQPWSA-N 2 0 288.435 2.794 20 0 CFADRP CC1(C)CC[C@H](CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[NH2+]C1 ZINC000925725368 648299013 /nfs/dbraw/zinc/29/90/13/648299013.db2.gz JZDLTEYMFLLVTA-IXDOHACOSA-N 2 0 293.499 2.523 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000925731551 648300801 /nfs/dbraw/zinc/30/08/01/648300801.db2.gz TVZSRXCACDOKKG-ATIWLJMLSA-N 2 0 292.467 2.702 20 0 CFADRP CCSc1ccc(C[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000925733490 648301938 /nfs/dbraw/zinc/30/19/38/648301938.db2.gz VWYHUQGNWPZUEZ-AWEZNQCLSA-N 2 0 282.453 2.642 20 0 CFADRP c1cc(CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)sn1 ZINC000925731910 648302541 /nfs/dbraw/zinc/30/25/41/648302541.db2.gz NKIJKPGFRRJEQV-HOCLYGCPSA-N 2 0 287.432 2.769 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000925733591 648302566 /nfs/dbraw/zinc/30/25/66/648302566.db2.gz KNPJLOUFZFFFAF-CAOSSQGBSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC(C)(C)[NH3+] ZINC000925736515 648303464 /nfs/dbraw/zinc/30/34/64/648303464.db2.gz BAURMOMZMUAOAW-INIZCTEOSA-N 2 0 278.440 2.945 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)C1 ZINC000925735094 648303594 /nfs/dbraw/zinc/30/35/94/648303594.db2.gz SNEZLDVFEMSEPD-RRFJBIMHSA-N 2 0 280.456 2.689 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(CC)CC ZINC000925740007 648305319 /nfs/dbraw/zinc/30/53/19/648305319.db2.gz FYGXVVIEQAAQJP-STQMWFEESA-N 2 0 256.434 2.687 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CCC(C)(C)[NH3+])C2CC2)c1 ZINC000925739631 648305330 /nfs/dbraw/zinc/30/53/30/648305330.db2.gz BGCGCSKLTRBCBV-MRXNPFEDSA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000925740291 648305539 /nfs/dbraw/zinc/30/55/39/648305539.db2.gz HVQMCIMJXDLLMH-CQSZACIVSA-N 2 0 291.395 2.948 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])ccc1OC ZINC000925740494 648305678 /nfs/dbraw/zinc/30/56/78/648305678.db2.gz IIUQNRBGXQPIBA-GFCCVEGCSA-N 2 0 280.412 2.620 20 0 CFADRP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H](C1CC1)C1CCCC1)C2 ZINC000925748762 648308209 /nfs/dbraw/zinc/30/82/09/648308209.db2.gz CRZAIIDTHVVBTF-INIZCTEOSA-N 2 0 291.464 2.929 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH+]1CCC([NH3+])(CC)CC1 ZINC000925756609 648308240 /nfs/dbraw/zinc/30/82/40/648308240.db2.gz MPFYRDYGKVSAIO-UONOGXRCSA-N 2 0 268.445 2.783 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925759931 648311709 /nfs/dbraw/zinc/31/17/09/648311709.db2.gz JCGXTRZBZFBJLR-INIZCTEOSA-N 3 0 275.440 2.670 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925766411 648313559 /nfs/dbraw/zinc/31/35/59/648313559.db2.gz RMUJKERLJVUEHZ-UGYDUONOSA-N 2 0 262.441 2.931 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925769803 648314681 /nfs/dbraw/zinc/31/46/81/648314681.db2.gz RFOROHMLZNQVEH-SCRDCRAPSA-N 2 0 278.396 2.624 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@@H]1CCCOC1 ZINC000925770426 648314980 /nfs/dbraw/zinc/31/49/80/648314980.db2.gz TUIFESXHPDPJHG-VBQJREDUSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1c2ccccc2CC[C@H]1F ZINC000925773327 648315673 /nfs/dbraw/zinc/31/56/73/648315673.db2.gz XSOKSWLEKKWYNQ-VZEFYGNVSA-N 2 0 276.399 2.990 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1c2ccccc2CC[C@H]1F ZINC000925773325 648316465 /nfs/dbraw/zinc/31/64/65/648316465.db2.gz XSOKSWLEKKWYNQ-VDNDLQMASA-N 2 0 276.399 2.990 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775007 648317445 /nfs/dbraw/zinc/31/74/45/648317445.db2.gz BQPPRDUEANTLDG-UKRRQHHQSA-N 2 0 280.362 2.817 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000925776516 648318469 /nfs/dbraw/zinc/31/84/69/648318469.db2.gz KXZBJQSHHZGANR-ZIAGYGMSSA-N 2 0 272.383 2.790 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775957 648319212 /nfs/dbraw/zinc/31/92/12/648319212.db2.gz IOVLBWWDHMHNAY-QJPTWQEYSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCC=CCC1 ZINC000925780227 648319600 /nfs/dbraw/zinc/31/96/00/648319600.db2.gz PPZPOGFAVNERGA-GFCCVEGCSA-N 2 0 259.397 2.998 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925781166 648320782 /nfs/dbraw/zinc/32/07/82/648320782.db2.gz XLOPBJIBOSRNHR-OLZOCXBDSA-N 2 0 268.351 2.890 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925786140 648322867 /nfs/dbraw/zinc/32/28/67/648322867.db2.gz VZGSVUZBVMSVAA-QWHCGFSZSA-N 2 0 260.372 2.956 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000925785912 648323117 /nfs/dbraw/zinc/32/31/17/648323117.db2.gz QIGQJHVCFRFRHV-BSWAZPDLSA-N 2 0 258.409 2.768 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000925794300 648325453 /nfs/dbraw/zinc/32/54/53/648325453.db2.gz DDKIXFKTHZHQCV-GIPNMCIBSA-N 2 0 267.442 2.656 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925794420 648326314 /nfs/dbraw/zinc/32/63/14/648326314.db2.gz FBAPLRPPAIHFEE-DVOMOZLQSA-N 2 0 289.423 2.541 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000925795673 648326680 /nfs/dbraw/zinc/32/66/80/648326680.db2.gz HYNULBOHDROKGS-GLKRBJQHSA-N 2 0 280.362 2.787 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000925803581 648328132 /nfs/dbraw/zinc/32/81/32/648328132.db2.gz ROPQWJHUUNQCFA-BMFZPTHFSA-N 2 0 290.455 2.866 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cnn1C(C)(C)C ZINC000925803807 648328172 /nfs/dbraw/zinc/32/81/72/648328172.db2.gz VTBRPKPBWFDJNY-VNHYZAJKSA-N 2 0 292.471 2.843 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)oc1C ZINC000925802805 648328267 /nfs/dbraw/zinc/32/82/67/648328267.db2.gz JIULUPTTYAIXSD-MBNYWOFBSA-N 2 0 250.386 2.793 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000925804002 648328294 /nfs/dbraw/zinc/32/82/94/648328294.db2.gz XOIKUNXGNZAICS-UNEWFSDZSA-N 2 0 273.424 2.758 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc2ncccc2c1 ZINC000925812097 648330860 /nfs/dbraw/zinc/33/08/60/648330860.db2.gz GWANJTHPUCLVIE-AWEZNQCLSA-N 2 0 271.408 2.884 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809741 648330951 /nfs/dbraw/zinc/33/09/51/648330951.db2.gz WECWPUCSQKQBOV-OQSMONGASA-N 3 0 293.499 2.652 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc2ncccc2c1 ZINC000925814815 648331555 /nfs/dbraw/zinc/33/15/55/648331555.db2.gz QMWSOGAEGPOZJC-GIOYIUAESA-N 2 0 295.430 2.883 20 0 CFADRP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816484 648333016 /nfs/dbraw/zinc/33/30/16/648333016.db2.gz HEQMBIUOCOOITQ-DOTOQJQBSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925820465 648333544 /nfs/dbraw/zinc/33/35/44/648333544.db2.gz CSZIEKUDGBUVKR-RZZCCWGQSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925824765 648334536 /nfs/dbraw/zinc/33/45/36/648334536.db2.gz VMRFIEDADHIPOA-FPUJPIJZSA-N 2 0 298.430 2.876 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925829183 648336258 /nfs/dbraw/zinc/33/62/58/648336258.db2.gz MWTOTZJIQPQLDH-FVCCEPFGSA-N 2 0 294.361 2.736 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC1CC=CC1 ZINC000925831419 648336986 /nfs/dbraw/zinc/33/69/86/648336986.db2.gz IYZQEHKLCROOTP-GFCCVEGCSA-N 2 0 259.397 2.856 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925831725 648337140 /nfs/dbraw/zinc/33/71/40/648337140.db2.gz LYSQOPYQPDUNMY-IEECTRCBSA-N 2 0 276.346 2.695 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cnc3ccccc3c2)C1 ZINC000925834322 648338130 /nfs/dbraw/zinc/33/81/30/648338130.db2.gz VSNBREGNHVTXAN-CVEARBPZSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925834492 648338304 /nfs/dbraw/zinc/33/83/04/648338304.db2.gz XOCULYWBHXGCFM-OLZOCXBDSA-N 2 0 264.388 2.963 20 0 CFADRP c1ccc2c(c1)CCN2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925838220 648339362 /nfs/dbraw/zinc/33/93/62/648339362.db2.gz WFRVVEJDPJONAH-KZNAEPCWSA-N 2 0 299.462 2.559 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843327 648342411 /nfs/dbraw/zinc/34/24/11/648342411.db2.gz DZIZMCYMHIZGJQ-QGZVFWFLSA-N 2 0 281.488 2.786 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCS2 ZINC000925856341 648347219 /nfs/dbraw/zinc/34/72/19/648347219.db2.gz FIAKOBAFWNZPSF-STQMWFEESA-N 2 0 266.454 2.679 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925860746 648347934 /nfs/dbraw/zinc/34/79/34/648347934.db2.gz KQZOTSHTODTGMG-CLWVCHIJSA-N 2 0 278.465 2.819 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000925861678 648348197 /nfs/dbraw/zinc/34/81/97/648348197.db2.gz RUFOVVOQAKYLQP-HZSPNIEDSA-N 2 0 268.470 2.925 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cnn1C(C)C ZINC000925883963 648355579 /nfs/dbraw/zinc/35/55/79/648355579.db2.gz ZNPCLZQXWVQRLU-BNOWGMLFSA-N 2 0 264.417 2.550 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925893903 648357742 /nfs/dbraw/zinc/35/77/42/648357742.db2.gz SALHHURFHFYZHQ-CJNGLKHVSA-N 2 0 289.423 2.601 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1(Br)CC1 ZINC000926113525 648407299 /nfs/dbraw/zinc/40/72/99/648407299.db2.gz HESDINLPNGZMAH-NSHDSACASA-N 2 0 289.261 2.624 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000926115408 648408600 /nfs/dbraw/zinc/40/86/00/648408600.db2.gz UWCRQTPVJSQIMJ-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOC(C)C)CC1 ZINC000926157526 648419290 /nfs/dbraw/zinc/41/92/90/648419290.db2.gz YCPKUGGBQSOXLG-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926224946 648440245 /nfs/dbraw/zinc/44/02/45/648440245.db2.gz SSSRKMDZUOGUAC-VBNZEHGJSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000926224601 648440323 /nfs/dbraw/zinc/44/03/23/648440323.db2.gz IUJOOTCIQRDKQT-DOTOQJQBSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926230715 648442801 /nfs/dbraw/zinc/44/28/01/648442801.db2.gz WLGBBRHBGHCAEW-RHSMWYFYSA-N 2 0 298.434 2.610 20 0 CFADRP OCCC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308750 648459931 /nfs/dbraw/zinc/45/99/31/648459931.db2.gz PHPBCYRLXUWYCY-SJLPKXTDSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000926487406 648505719 /nfs/dbraw/zinc/50/57/19/648505719.db2.gz NVFLYEXUDXYJPT-AWEZNQCLSA-N 2 0 277.412 2.704 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926538078 648524585 /nfs/dbraw/zinc/52/45/85/648524585.db2.gz BNMDRYUVENHKGC-YOEHRIQHSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc2c1OCO2 ZINC000926561405 648534628 /nfs/dbraw/zinc/53/46/28/648534628.db2.gz XWPRWJUIZRAAPG-ZDUSSCGKSA-N 2 0 290.407 2.940 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926566486 648535503 /nfs/dbraw/zinc/53/55/03/648535503.db2.gz BXXFHCCHOCWEJQ-HOCLYGCPSA-N 2 0 275.396 2.754 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568397 648537186 /nfs/dbraw/zinc/53/71/86/648537186.db2.gz XMRKLHZFRIINMX-RDJZCZTQSA-N 2 0 287.407 2.755 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000926571776 648538073 /nfs/dbraw/zinc/53/80/73/648538073.db2.gz BYZMCKQNKXHJTP-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000926575046 648539507 /nfs/dbraw/zinc/53/95/07/648539507.db2.gz XBJWYMSKTMSDGL-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000926645507 648560447 /nfs/dbraw/zinc/56/04/47/648560447.db2.gz QCPVURHQCKBLAC-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1(CO)CC1 ZINC000926692686 648578106 /nfs/dbraw/zinc/57/81/06/648578106.db2.gz JJPVFVWNXJRYQC-UONOGXRCSA-N 2 0 276.424 2.560 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926709099 648584839 /nfs/dbraw/zinc/58/48/39/648584839.db2.gz ZAUSAACFGWDILJ-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)CO1 ZINC000926737254 648596305 /nfs/dbraw/zinc/59/63/05/648596305.db2.gz DTQKQSHHUNGMCR-SEEUUAMPSA-N 2 0 292.467 2.656 20 0 CFADRP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926757269 648604314 /nfs/dbraw/zinc/60/43/14/648604314.db2.gz DAIXMQNNLCPXTF-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000926782698 648613303 /nfs/dbraw/zinc/61/33/03/648613303.db2.gz HISXERZFMIYOEF-SQWLQELKSA-N 2 0 268.445 2.652 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926796486 648619536 /nfs/dbraw/zinc/61/95/36/648619536.db2.gz KLTUPZDDBZSEHF-SAGYGOJTSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H]1C ZINC000926889408 648647183 /nfs/dbraw/zinc/64/71/83/648647183.db2.gz PVHINJWWRIOJID-QSFKDOLUSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cnc3ccccc3c2)CC1 ZINC000926921827 648659420 /nfs/dbraw/zinc/65/94/20/648659420.db2.gz XZEDCAJWBCQCEQ-UHFFFAOYSA-N 2 0 283.419 2.851 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000926947434 648667733 /nfs/dbraw/zinc/66/77/33/648667733.db2.gz DFVAHKWMBNBYJF-ADEWGFFLSA-N 2 0 264.335 2.505 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000926971800 648674108 /nfs/dbraw/zinc/67/41/08/648674108.db2.gz MWLGLDOYIRMLOT-WFASDCNBSA-N 2 0 287.407 2.751 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CCC(C)([NH+]4CCC4)CC3)C2)CO1 ZINC000927039655 648690287 /nfs/dbraw/zinc/69/02/87/648690287.db2.gz VDHKOAYLKQQTNI-CZVCLPBNSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC[N@@H+]1C ZINC000927115034 648717604 /nfs/dbraw/zinc/71/76/04/648717604.db2.gz KZFJLRGRNSJUBQ-BPQIPLTHSA-N 2 0 288.435 2.765 20 0 CFADRP COC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000929718196 649105193 /nfs/dbraw/zinc/10/51/93/649105193.db2.gz CKPGZKBHNONRKF-IAGOWNOFSA-N 2 0 282.472 2.713 20 0 CFADRP CN(CCSc1ccncc1)CC[C@H]1CCCC[N@@H+]1C ZINC000929721962 649106089 /nfs/dbraw/zinc/10/60/89/649106089.db2.gz HUQBNFVCXISUEC-OAHLLOKOSA-N 2 0 293.480 2.980 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)C(C)C)C[C@@H]1C ZINC000929782335 649121060 /nfs/dbraw/zinc/12/10/60/649121060.db2.gz UWPQJEUMLZZMFH-JYJNAYRXSA-N 2 0 270.461 2.710 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cccc(F)c3)CC[C@@H]21 ZINC000929842940 649138018 /nfs/dbraw/zinc/13/80/18/649138018.db2.gz FSASDJISLWDABV-WBVHZDCISA-N 2 0 276.399 2.784 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930061613 649176177 /nfs/dbraw/zinc/17/61/77/649176177.db2.gz TYORFBYICHBLCA-AIANPOQGSA-N 2 0 262.441 2.981 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3CC(C)C3)CC2)CC1 ZINC000930129665 649190161 /nfs/dbraw/zinc/19/01/61/649190161.db2.gz BAHYRSAREPXHGW-UHFFFAOYSA-N 2 0 293.499 2.523 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000930130483 649191122 /nfs/dbraw/zinc/19/11/22/649191122.db2.gz NBVWFESEEPJOFL-SJORKVTESA-N 2 0 293.499 2.523 20 0 CFADRP CC[C@H](CO)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000930179712 649199656 /nfs/dbraw/zinc/19/96/56/649199656.db2.gz ODMTWZIYINZXFA-QGZVFWFLSA-N 2 0 284.488 2.837 20 0 CFADRP COC[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000930309484 649227866 /nfs/dbraw/zinc/22/78/66/649227866.db2.gz JKIXFHQUNUUTBN-INIZCTEOSA-N 2 0 282.472 2.713 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806840 649328569 /nfs/dbraw/zinc/32/85/69/649328569.db2.gz YZNBWXNKBYRYMR-CABCVRRESA-N 2 0 259.397 2.640 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000931356292 649414380 /nfs/dbraw/zinc/41/43/80/649414380.db2.gz VLTWGEGEZMJIQV-KFWWJZLASA-N 2 0 250.430 2.839 20 0 CFADRP C[C@H](c1ccc(F)cc1F)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434054 649426351 /nfs/dbraw/zinc/42/63/51/649426351.db2.gz NQEJRXHRSYTJIF-FRRDWIJNSA-N 2 0 280.362 2.909 20 0 CFADRP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931434898 649426633 /nfs/dbraw/zinc/42/66/33/649426633.db2.gz AJMVUMJSYCTYSI-HYVNUMGLSA-N 2 0 258.409 2.940 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC000931434402 649426806 /nfs/dbraw/zinc/42/68/06/649426806.db2.gz TTZCKNJGQCCYAA-KGLIPLIRSA-N 2 0 296.361 2.672 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441237 649427800 /nfs/dbraw/zinc/42/78/00/649427800.db2.gz DWTJLOZLJJQUKE-XUWVNRHRSA-N 2 0 250.430 2.696 20 0 CFADRP CCc1ncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000931465975 649434812 /nfs/dbraw/zinc/43/48/12/649434812.db2.gz BFWIUMOUUDWUGO-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000931471740 649436469 /nfs/dbraw/zinc/43/64/69/649436469.db2.gz OPRHNVFSTLRTII-ZSHCYNCHSA-N 2 0 282.472 2.996 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486385 649439549 /nfs/dbraw/zinc/43/95/49/649439549.db2.gz ZFGPOLNSDFAQPY-MRXNPFEDSA-N 2 0 294.414 2.665 20 0 CFADRP Nc1cc[nH+]c2c1CN(C[C@@H]1CCCC3(CCC3)O1)CC2 ZINC000931516365 649445261 /nfs/dbraw/zinc/44/52/61/649445261.db2.gz MIIWNAVDDHYPCG-ZDUSSCGKSA-N 2 0 287.407 2.514 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000933733793 649718647 /nfs/dbraw/zinc/71/86/47/649718647.db2.gz WIJWDWZCEBXSQE-MJBXVCDLSA-N 2 0 272.383 2.695 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934775811 649829622 /nfs/dbraw/zinc/82/96/22/649829622.db2.gz OTTLQVLQXCXEAV-KFWWJZLASA-N 2 0 268.470 2.546 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421799159 651097057 /nfs/dbraw/zinc/09/70/57/651097057.db2.gz DHIRDGIIAMBCNF-HNNXBMFYSA-N 2 0 275.440 2.506 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000722535681 770466635 /nfs/dbraw/zinc/46/66/35/770466635.db2.gz PRQRPZYTHRRDPE-DMRZNYOFSA-N 2 0 250.430 2.790 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000723690852 770650236 /nfs/dbraw/zinc/65/02/36/770650236.db2.gz BAQBSNSPOBYXRB-LLVKDONJSA-N 2 0 254.324 2.795 20 0 CFADRP CCN1CCC([N@H+](C)Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232864077 777697050 /nfs/dbraw/zinc/69/70/50/777697050.db2.gz BNUBUFMILHWXSM-UHFFFAOYSA-N 2 0 287.407 2.790 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235947433 778622065 /nfs/dbraw/zinc/62/20/65/778622065.db2.gz BDYZUEBUMGOJJS-KBPBESRZSA-N 2 0 250.430 2.744 20 0 CFADRP CC1(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]CC1 ZINC001236372573 778795484 /nfs/dbraw/zinc/79/54/84/778795484.db2.gz QEYIQWQZTJZPTA-MRXNPFEDSA-N 3 0 293.499 2.620 20 0 CFADRP CC(C)(C)C[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168366241 778556374 /nfs/dbraw/zinc/55/63/74/778556374.db2.gz MCHBCMBIEQCGHV-KRWDZBQOSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@H](C)C1 ZINC001235819626 778567283 /nfs/dbraw/zinc/56/72/83/778567283.db2.gz GBJIXASBJRHZIF-ZIAGYGMSSA-N 2 0 250.430 2.887 20 0 CFADRP CCCCOc1ncc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1C ZINC001235925117 778611213 /nfs/dbraw/zinc/61/12/13/778611213.db2.gz BBBGWMJGGYQQMS-INIZCTEOSA-N 2 0 291.439 2.882 20 0 CFADRP CCOc1ccc(C)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925557 778611491 /nfs/dbraw/zinc/61/14/91/778611491.db2.gz UZOCZZIEBLXDGZ-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000700095055 780658963 /nfs/dbraw/zinc/65/89/63/780658963.db2.gz QNEZKDZLBGJUPK-BTTYYORXSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H]1CCCO1 ZINC001207887683 769827654 /nfs/dbraw/zinc/82/76/54/769827654.db2.gz PKZGYFGRDFQMHZ-XHSDSOJGSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001208113432 769853553 /nfs/dbraw/zinc/85/35/53/769853553.db2.gz ILWMAUCBIORCOK-HUUCEWRRSA-N 2 0 250.430 2.983 20 0 CFADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001208113414 769854274 /nfs/dbraw/zinc/85/42/74/769854274.db2.gz ILWMAUCBIORCOK-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP COc1c(Cl)cccc1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771839 769899868 /nfs/dbraw/zinc/89/98/68/769899868.db2.gz YEIDNYKHTSJXPV-VXGBXAGGSA-N 2 0 282.815 2.908 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001208903770 769961512 /nfs/dbraw/zinc/96/15/12/769961512.db2.gz VHKYMQLBROADSP-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209422011 770075585 /nfs/dbraw/zinc/07/55/85/770075585.db2.gz RKTLGASUOTWFRG-WCVJEAGWSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@H]1CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001209843982 770142020 /nfs/dbraw/zinc/14/20/20/770142020.db2.gz ADXCIEMZGZISFW-AWEZNQCLSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723616183 770618448 /nfs/dbraw/zinc/61/84/48/770618448.db2.gz UPYVVCPFCPOJIG-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723618185 770620562 /nfs/dbraw/zinc/62/05/62/770620562.db2.gz HWMUSEMTUBEVNS-OWCLPIDISA-N 2 0 280.456 2.513 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000723623028 770622845 /nfs/dbraw/zinc/62/28/45/770622845.db2.gz YPWJPBXXLQNVQG-GVDBMIGSSA-N 2 0 280.456 2.657 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723639105 770632566 /nfs/dbraw/zinc/63/25/66/770632566.db2.gz RDHMOZOGAUUQCL-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000723638638 770633303 /nfs/dbraw/zinc/63/33/03/770633303.db2.gz XWTODESKCWNESG-QCODTGAPSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000723655596 770640658 /nfs/dbraw/zinc/64/06/58/770640658.db2.gz QDVOSRPROSKOGM-HNNXBMFYSA-N 2 0 277.412 2.503 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1Br ZINC000723675215 770648453 /nfs/dbraw/zinc/64/84/53/770648453.db2.gz SGHAUVCNJHINPK-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)ccc2n1 ZINC000723699116 770651759 /nfs/dbraw/zinc/65/17/59/770651759.db2.gz NNLKZMOYOWZBFR-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)ccc2n1 ZINC000723699117 770652076 /nfs/dbraw/zinc/65/20/76/770652076.db2.gz NNLKZMOYOWZBFR-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1cc(C)nc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000723846374 770683480 /nfs/dbraw/zinc/68/34/80/770683480.db2.gz RIGQQLXWKZSUJB-XJKSGUPXSA-N 2 0 261.413 2.648 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723891348 770707793 /nfs/dbraw/zinc/70/77/93/770707793.db2.gz LWRPUJGYSLMFKY-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1CC[NH3+] ZINC000723902012 770710282 /nfs/dbraw/zinc/71/02/82/770710282.db2.gz LLNYSPZGQDLONT-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1Cl ZINC000723921398 770714946 /nfs/dbraw/zinc/71/49/46/770714946.db2.gz CAMVCIYCCVYKKY-DGCLKSJQSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921376 770715580 /nfs/dbraw/zinc/71/55/80/770715580.db2.gz GRUKFYTXUDCGFN-GRYCIOLGSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]1CC[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[NH2+]1 ZINC000399178829 770720405 /nfs/dbraw/zinc/72/04/05/770720405.db2.gz KTDCCMYZNQQBKY-NXHRZFHOSA-N 2 0 287.451 2.554 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000690737592 770884313 /nfs/dbraw/zinc/88/43/13/770884313.db2.gz KWSITLUNTBYDHV-NSHDSACASA-N 2 0 283.213 2.620 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001207288874 770910340 /nfs/dbraw/zinc/91/03/40/770910340.db2.gz WVOIFTYDPGCDIB-UHFFFAOYSA-N 2 0 289.467 2.924 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000167773548 770955047 /nfs/dbraw/zinc/95/50/47/770955047.db2.gz YXFVZKVSQHNVLJ-WBVHZDCISA-N 2 0 260.425 2.926 20 0 CFADRP CCCCC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167619496 773191561 /nfs/dbraw/zinc/19/15/61/773191561.db2.gz FGBRUWJXLCYGDT-INIZCTEOSA-N 2 0 297.487 2.537 20 0 CFADRP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]ccc2c1CCN2 ZINC001167624469 773195532 /nfs/dbraw/zinc/19/55/32/773195532.db2.gz XKRCHHQAVWHBSS-UHFFFAOYSA-N 2 0 274.412 2.534 20 0 CFADRP C[C@H]([NH3+])c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cn1 ZINC001167628713 773198920 /nfs/dbraw/zinc/19/89/20/773198920.db2.gz XTLIMWHYHBYWSA-NSHDSACASA-N 2 0 276.428 2.586 20 0 CFADRP c1ccc2c(c1)NC[C@H]1C[N@@H+](CCC3CC[NH2+]CC3)C[C@H]21 ZINC001224118969 775105116 /nfs/dbraw/zinc/10/51/16/775105116.db2.gz NXXYZCRBIIBFAL-RDJZCZTQSA-N 2 0 285.435 2.517 20 0 CFADRP C[N@H+](CCOC(C)(C)C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000690104055 775142644 /nfs/dbraw/zinc/14/26/44/775142644.db2.gz BGVBPHDUSSPNPA-GOOCMWNKSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721547789 775150561 /nfs/dbraw/zinc/15/05/61/775150561.db2.gz BQKYWWBKLSWZKD-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCCCC1 ZINC000405253257 775198797 /nfs/dbraw/zinc/19/87/97/775198797.db2.gz JEWLQBNGFDVZCK-CHWSQXEVSA-N 2 0 268.470 2.912 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC000405324786 775203979 /nfs/dbraw/zinc/20/39/79/775203979.db2.gz WLLKXJJISKWFIW-UHTWSYAYSA-N 2 0 250.411 2.977 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)CCO2 ZINC000693922439 775259474 /nfs/dbraw/zinc/25/94/74/775259474.db2.gz ZYZJHAYQMAYMBO-CJNGLKHVSA-N 2 0 274.408 2.756 20 0 CFADRP C[N@@H+]1CCC[C@H]1CO[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001224817733 775281355 /nfs/dbraw/zinc/28/13/55/775281355.db2.gz YNQABTSFBIOTRW-ZWKOTPCHSA-N 2 0 288.435 2.762 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](C(C)(C)C)CC1 ZINC001224931499 775309502 /nfs/dbraw/zinc/30/95/02/775309502.db2.gz GYBOINXIIYSWIW-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)CC1 ZINC001207399969 775369832 /nfs/dbraw/zinc/36/98/32/775369832.db2.gz ZOGDPMBRYBGXRY-IYBDPMFKSA-N 2 0 270.420 2.915 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721607112 775427201 /nfs/dbraw/zinc/42/72/01/775427201.db2.gz UCAANTXQLSFZLO-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(N2CCC3(CCC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC001277064161 775556486 /nfs/dbraw/zinc/55/64/86/775556486.db2.gz GSYHDWINLAUGLV-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000924596768 775672390 /nfs/dbraw/zinc/67/23/90/775672390.db2.gz BWFDENXNPGQSKF-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP CCCC[NH+](CCCC)CCNc1cc(C[NH2+]C)ncn1 ZINC001167733259 775864575 /nfs/dbraw/zinc/86/45/75/775864575.db2.gz QHOOJJYTOSMQCH-UHFFFAOYSA-N 2 0 293.459 2.510 20 0 CFADRP CCCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397492499 776017610 /nfs/dbraw/zinc/01/76/10/776017610.db2.gz LPASLBYMJNIRAN-UHFFFAOYSA-N 2 0 290.451 2.793 20 0 CFADRP CC(C)[N@H+](CCC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC001207488017 776033442 /nfs/dbraw/zinc/03/34/42/776033442.db2.gz BVWUJACLBAFBHC-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCC[C@]12CCC[NH2+]C2 ZINC001222237786 776039692 /nfs/dbraw/zinc/03/96/92/776039692.db2.gz SZNSEAWIKYUDCP-KRWDZBQOSA-N 2 0 279.472 2.517 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccn2cc(N)nc2c1 ZINC001167751699 776081912 /nfs/dbraw/zinc/08/19/12/776081912.db2.gz MBBNMQIHMOZZIK-ZDUSSCGKSA-N 2 0 287.411 2.593 20 0 CFADRP c1cncc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709490030 776144073 /nfs/dbraw/zinc/14/40/73/776144073.db2.gz IGKPQPOMXKVZDQ-VFSICIBPSA-N 2 0 257.381 2.502 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccc3c(c2)COC32C[NH2+]C2)cc1 ZINC001204653821 776365508 /nfs/dbraw/zinc/36/55/08/776365508.db2.gz DZCOABCAVODWKM-UHFFFAOYSA-N 2 0 294.398 2.744 20 0 CFADRP Clc1ccc([C@H]2C[C@@H]2CN2CCC[NH2+]CC2)cc1 ZINC001204654979 776451975 /nfs/dbraw/zinc/45/19/75/776451975.db2.gz LENNVZLRLSWCHB-UKRRQHHQSA-N 2 0 264.800 2.739 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722337487 776488007 /nfs/dbraw/zinc/48/80/07/776488007.db2.gz LWIAWEWAROSNJJ-BSWAZPDLSA-N 2 0 280.456 2.844 20 0 CFADRP CCOC(OCC)c1cccc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167914125 776520479 /nfs/dbraw/zinc/52/04/79/776520479.db2.gz HWJVXXMKZBEGBG-UHFFFAOYSA-N 2 0 297.424 2.797 20 0 CFADRP CC1(C)CCc2cc(CN3CCC[NH2+]CC3)ccc2O1 ZINC001204666962 776539701 /nfs/dbraw/zinc/53/97/01/776539701.db2.gz AWFWJBHTYRUFBV-UHFFFAOYSA-N 2 0 274.408 2.586 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)C1CCOCC1 ZINC001167826584 776547894 /nfs/dbraw/zinc/54/78/94/776547894.db2.gz QTOSQGLCDWZEAW-OAHLLOKOSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001167825936 776548140 /nfs/dbraw/zinc/54/81/40/776548140.db2.gz LSFFNDSWNKRKHM-ZQDZILKHSA-N 2 0 256.409 2.929 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C(=O)OC)C1 ZINC001167833357 776568173 /nfs/dbraw/zinc/56/81/73/776568173.db2.gz AIEBUEQCTLXFBX-PMPSAXMXSA-N 2 0 298.471 2.628 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001167833904 776571756 /nfs/dbraw/zinc/57/17/56/776571756.db2.gz FORLCRZLDPCKSJ-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001167833961 776572630 /nfs/dbraw/zinc/57/26/30/776572630.db2.gz GOFCOBJXYGNAKE-WCVJEAGWSA-N 2 0 296.455 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001167834069 776573589 /nfs/dbraw/zinc/57/35/89/776573589.db2.gz HEPYOTBSYBPZMC-BRWVUGGUSA-N 2 0 282.472 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001167836639 776584769 /nfs/dbraw/zinc/58/47/69/776584769.db2.gz GLIVXPJGWVBRHG-ZQDZILKHSA-N 2 0 256.409 2.644 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC001167836238 776587173 /nfs/dbraw/zinc/58/71/73/776587173.db2.gz YGGIPUWHKWEELM-JKSUJKDBSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1C(C)=O ZINC001167836198 776587681 /nfs/dbraw/zinc/58/76/81/776587681.db2.gz XHJKFOJAYKNVTM-ZFWWWQNUSA-N 2 0 254.418 2.550 20 0 CFADRP CCN1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C[C@H]1C ZINC001167836221 776587709 /nfs/dbraw/zinc/58/77/09/776587709.db2.gz XUFKNHWASOGSLU-HZPDHXFCSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001167838076 776588370 /nfs/dbraw/zinc/58/83/70/776588370.db2.gz PIJPLJLEGKRZAT-HRCADAONSA-N 2 0 269.477 2.521 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(c2cccnc2)C1 ZINC001167838075 776589420 /nfs/dbraw/zinc/58/94/20/776589420.db2.gz PIIBKTSQLFTHCR-OAHLLOKOSA-N 2 0 275.440 2.991 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001167838959 776592673 /nfs/dbraw/zinc/59/26/73/776592673.db2.gz XGHOXZQNIUWYNN-HIFRSBDPSA-N 2 0 294.443 2.678 20 0 CFADRP COc1c(F)cccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001143530257 776661469 /nfs/dbraw/zinc/66/14/69/776661469.db2.gz PCIZTQAJHAFJDB-UHFFFAOYSA-N 2 0 292.398 2.752 20 0 CFADRP CCCCc1cccc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167884104 776717308 /nfs/dbraw/zinc/71/73/08/776717308.db2.gz RCHIOXHVSJHAJA-UHFFFAOYSA-N 2 0 262.401 2.704 20 0 CFADRP C([NH2+][C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001167910361 776832529 /nfs/dbraw/zinc/83/25/29/776832529.db2.gz SNGBVHQZFWUUOD-PIIMJCKOSA-N 2 0 292.467 2.513 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229657821 776867117 /nfs/dbraw/zinc/86/71/17/776867117.db2.gz PCUXRDKPWPSMLS-KRWDZBQOSA-N 2 0 276.424 2.652 20 0 CFADRP C[NH+](C)Cc1ccccc1OC1CC[NH+](C2CC2)CC1 ZINC001229698402 776874458 /nfs/dbraw/zinc/87/44/58/776874458.db2.gz ACWGYMTXABILKV-UHFFFAOYSA-N 2 0 274.408 2.754 20 0 CFADRP CC(C)[NH+]1CCC(Oc2ccccc2C[NH+](C)C)CC1 ZINC001229698465 776874488 /nfs/dbraw/zinc/87/44/88/776874488.db2.gz BBXQHONSXUCAHL-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229703335 776876626 /nfs/dbraw/zinc/87/66/26/776876626.db2.gz YVGMMZRZWNTUBP-INIZCTEOSA-N 2 0 276.424 3.000 20 0 CFADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229837769 776900236 /nfs/dbraw/zinc/90/02/36/776900236.db2.gz SJLHFYOXXNJKNR-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP CC[N@@H+]1CCC[C@@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858630 776906487 /nfs/dbraw/zinc/90/64/87/776906487.db2.gz PIFQJWWRCYXFNO-OAHLLOKOSA-N 2 0 280.387 2.750 20 0 CFADRP C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709971102 776949334 /nfs/dbraw/zinc/94/93/34/776949334.db2.gz MJWFUWSRGQBADB-YOEHRIQHSA-N 2 0 276.399 2.832 20 0 CFADRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167952056 777197201 /nfs/dbraw/zinc/19/72/01/777197201.db2.gz MPYQEPHFDDQWKY-BCDXTJNWSA-N 2 0 293.499 2.525 20 0 CFADRP FC1CC[NH+](C2CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167953683 777225234 /nfs/dbraw/zinc/22/52/34/777225234.db2.gz VREXAJGYVRRSLV-VIKVFOODSA-N 2 0 266.404 2.683 20 0 CFADRP CC1(C)CC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2CN)C1 ZINC000721640588 777226079 /nfs/dbraw/zinc/22/60/79/777226079.db2.gz KXSPXQFSDTWLMP-JKSUJKDBSA-N 2 0 258.409 2.951 20 0 CFADRP c1c(C[NH2+]C2CCCCC2)sc2c1C[NH2+]CC2 ZINC000688049479 777291263 /nfs/dbraw/zinc/29/12/63/777291263.db2.gz TWWLTYOFHMZWST-UHFFFAOYSA-N 2 0 250.411 2.816 20 0 CFADRP COCc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)o1 ZINC001231691850 777308432 /nfs/dbraw/zinc/30/84/32/777308432.db2.gz SKJIYWZGRHEIIC-UHFFFAOYSA-N 2 0 294.439 2.978 20 0 CFADRP C[NH+](C)CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961359 777318864 /nfs/dbraw/zinc/31/88/64/777318864.db2.gz IUIKXNCFWMUBQR-AYHJJNSGSA-N 3 0 293.499 2.713 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)c(O)c1)CC1CC[NH+](C)CC1 ZINC001231739250 777320318 /nfs/dbraw/zinc/32/03/18/777320318.db2.gz YZBYAYKFXOPJSN-UHFFFAOYSA-N 2 0 282.815 2.819 20 0 CFADRP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168406774 777339126 /nfs/dbraw/zinc/33/91/26/777339126.db2.gz IMWLHGFLJLBHJE-OFLPRAFFSA-N 2 0 276.399 2.885 20 0 CFADRP [NH3+]Cc1cccn1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963884 777388318 /nfs/dbraw/zinc/38/83/18/777388318.db2.gz GYAFGGTWLXJLAS-MZBDJJRSSA-N 2 0 259.397 2.525 20 0 CFADRP Cc1nc([C@@H]2CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)no1 ZINC001232011906 777410489 /nfs/dbraw/zinc/41/04/89/777410489.db2.gz PDPZAONXJZVLOU-GFCCVEGCSA-N 2 0 297.362 2.634 20 0 CFADRP COC1(C)CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232010805 777410890 /nfs/dbraw/zinc/41/08/90/777410890.db2.gz BWNYHYZGJMHJPX-UHFFFAOYSA-N 2 0 259.353 2.564 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)no1 ZINC001232011907 777410924 /nfs/dbraw/zinc/41/09/24/777410924.db2.gz PDPZAONXJZVLOU-LBPRGKRZSA-N 2 0 297.362 2.634 20 0 CFADRP CO[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232016174 777414336 /nfs/dbraw/zinc/41/43/36/777414336.db2.gz SODYUONVALRVJR-CQSZACIVSA-N 2 0 259.353 2.564 20 0 CFADRP CO[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001232019148 777415027 /nfs/dbraw/zinc/41/50/27/777415027.db2.gz WSHPMGFKUMBARE-SMDDNHRTSA-N 2 0 259.353 2.562 20 0 CFADRP COc1cccc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c21 ZINC001232035052 777418932 /nfs/dbraw/zinc/41/89/32/777418932.db2.gz BPKOGNIGZWARAV-HIFRSBDPSA-N 2 0 299.418 2.560 20 0 CFADRP Cc1ccnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167968851 777428919 /nfs/dbraw/zinc/42/89/19/777428919.db2.gz VYQCADKJVSVTEX-YQQQUEKLSA-N 2 0 299.462 2.928 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1C[C@@]13CCCOC3)C2 ZINC001167977838 777446567 /nfs/dbraw/zinc/44/65/67/777446567.db2.gz GFIDUWDOQXQZST-OOHRUWKFSA-N 2 0 290.451 2.551 20 0 CFADRP O[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167979157 777446806 /nfs/dbraw/zinc/44/68/06/777446806.db2.gz XBGDGJPPJPHZMC-KSCFCBMPSA-N 2 0 292.467 2.533 20 0 CFADRP CO[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167981744 777449865 /nfs/dbraw/zinc/44/98/65/777449865.db2.gz HYRYHXSWOFAYCB-NBPJSUKFSA-N 2 0 292.467 2.939 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)CC2CC2)c1 ZINC001232145355 777450884 /nfs/dbraw/zinc/45/08/84/777450884.db2.gz QLOCSMLAZMKTPZ-UHFFFAOYSA-N 2 0 250.361 2.729 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC001232146651 777451096 /nfs/dbraw/zinc/45/10/96/777451096.db2.gz XCQIWJJAYXBWKL-UHFFFAOYSA-N 2 0 294.414 2.888 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001232145539 777451150 /nfs/dbraw/zinc/45/11/50/777451150.db2.gz BABOAOQKZQPNFV-KRWDZBQOSA-N 2 0 292.398 2.642 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001232145244 777451301 /nfs/dbraw/zinc/45/13/01/777451301.db2.gz ZGUIHSKUZMOINQ-QGZVFWFLSA-N 2 0 292.398 2.642 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001232147191 777451733 /nfs/dbraw/zinc/45/17/33/777451733.db2.gz LMLRTWZTKXAMLY-CWRNSKLLSA-N 2 0 280.362 2.820 20 0 CFADRP Cc1ccnc(C)c1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167985119 777468477 /nfs/dbraw/zinc/46/84/77/777468477.db2.gz AABZKALHJONRFD-UHFFFAOYSA-N 2 0 281.359 2.849 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCCC3(COC3)C1)C2 ZINC001167988914 777504482 /nfs/dbraw/zinc/50/44/82/777504482.db2.gz VDWGMEIOYMICLB-SJPCQFCGSA-N 2 0 290.451 2.504 20 0 CFADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001167990535 777520854 /nfs/dbraw/zinc/52/08/54/777520854.db2.gz VCUFNSUNIVMLQM-AWEZNQCLSA-N 2 0 299.353 2.677 20 0 CFADRP C[C@H]1CC([NH2+]CCCCO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168004935 777573082 /nfs/dbraw/zinc/57/30/82/777573082.db2.gz CFMQTPWAAIPYBL-HOTGVXAUSA-N 2 0 290.451 2.790 20 0 CFADRP CC[C@H](CO)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005787 777577561 /nfs/dbraw/zinc/57/75/61/777577561.db2.gz KIPPTDMXDNOQLF-YQQAZPJKSA-N 2 0 290.451 2.789 20 0 CFADRP COc1cc(Cl)ccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001232502095 777586756 /nfs/dbraw/zinc/58/67/56/777586756.db2.gz NGMHKLFLMQJFDD-UHFFFAOYSA-N 2 0 294.826 2.876 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc4ncsc4c3)C2)C1 ZINC001232742875 777655605 /nfs/dbraw/zinc/65/56/05/777655605.db2.gz FPBQGIBMWJJPAU-MRXNPFEDSA-N 2 0 287.432 2.824 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(O)c3Cl)C2)CC1 ZINC001232788695 777669351 /nfs/dbraw/zinc/66/93/51/777669351.db2.gz ITOQZGHFHLUVRA-UHFFFAOYSA-N 2 0 294.826 2.963 20 0 CFADRP CCCn1cnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC001232798722 777673963 /nfs/dbraw/zinc/67/39/63/777673963.db2.gz DZNBQTQLWCVBSA-UHFFFAOYSA-N 2 0 290.455 2.601 20 0 CFADRP C[C@@H]1C[C@@H](NC2(C[NH3+])CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168035028 777753061 /nfs/dbraw/zinc/75/30/61/777753061.db2.gz SDYWOZXIKQCZMS-SCAQPMJSSA-N 2 0 287.451 2.509 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000341663093 777886938 /nfs/dbraw/zinc/88/69/38/777886938.db2.gz WKFFUYBQIHPFFA-UHFFFAOYSA-N 2 0 282.472 2.996 20 0 CFADRP CCC[NH+]1C[C@H]2CN(Cc3ccc(N)cc3Cl)C[C@@H]2C1 ZINC001233377397 777921826 /nfs/dbraw/zinc/92/18/26/777921826.db2.gz CPFVUUVBWJSCFM-KBPBESRZSA-N 2 0 293.842 2.696 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)c2ccccc2)CCO1 ZINC001168075910 777946729 /nfs/dbraw/zinc/94/67/29/777946729.db2.gz RVBBIZTXYREPTG-HYVNUMGLSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CCO1 ZINC001168076694 777949628 /nfs/dbraw/zinc/94/96/28/777949628.db2.gz ZUVRANINAMWQSA-YPMHNXCESA-N 2 0 254.418 2.534 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CCO1 ZINC001168076691 777950006 /nfs/dbraw/zinc/95/00/06/777950006.db2.gz ZUVRANINAMWQSA-AAEUAGOBSA-N 2 0 254.418 2.534 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC(N)(c3ccccc3F)CC2)CCO1 ZINC001168092969 778025918 /nfs/dbraw/zinc/02/59/18/778025918.db2.gz KBSMDELIGNZSJI-UONOGXRCSA-N 2 0 292.398 2.643 20 0 CFADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168101431 778043486 /nfs/dbraw/zinc/04/34/86/778043486.db2.gz LNUOVYIPURENBL-KLHDSHLOSA-N 2 0 268.445 2.782 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168104441 778048170 /nfs/dbraw/zinc/04/81/70/778048170.db2.gz UPVPDOHXAJOKNW-LVQVYYBASA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@@H](C)[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277805939 778068361 /nfs/dbraw/zinc/06/83/61/778068361.db2.gz AYUFHNFTBFGXDR-OAHLLOKOSA-N 2 0 290.455 2.886 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2CCO[C@H](C)C2)CC1 ZINC001168127254 778115705 /nfs/dbraw/zinc/11/57/05/778115705.db2.gz DYLQEORAKNHBLK-ZBFHGGJFSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCO1 ZINC001168128013 778117506 /nfs/dbraw/zinc/11/75/06/778117506.db2.gz LMUWVPUUKVEOQG-ZACQAIPSSA-N 2 0 280.456 2.894 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cnc(C2CC2)c(C)c1 ZINC001277828124 778153901 /nfs/dbraw/zinc/15/39/01/778153901.db2.gz IVJUVSDDSWXQHC-ALOPSCKCSA-N 2 0 285.435 2.982 20 0 CFADRP CC1CCC([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168204550 778251051 /nfs/dbraw/zinc/25/10/51/778251051.db2.gz YBBWHFIOWRXMTA-MDPANVJJSA-N 2 0 266.429 2.536 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001168245466 778269878 /nfs/dbraw/zinc/26/98/78/778269878.db2.gz ZPKMJRBHMUAEOH-ZACQAIPSSA-N 2 0 288.435 2.625 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000721251821 778291675 /nfs/dbraw/zinc/29/16/75/778291675.db2.gz CPSYYAAGAABDOF-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000302585280 778306863 /nfs/dbraw/zinc/30/68/63/778306863.db2.gz GSYDRASOLRQHPE-UHFFFAOYSA-N 2 0 258.312 2.505 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234970541 778342325 /nfs/dbraw/zinc/34/23/25/778342325.db2.gz JDCJKFIWHQDPTK-BRWVUGGUSA-N 2 0 280.456 2.679 20 0 CFADRP Cc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)o1 ZINC001234980459 778345556 /nfs/dbraw/zinc/34/55/56/778345556.db2.gz XYDKPMPAEOULGG-CALCHBBNSA-N 2 0 282.387 2.906 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000721253353 778347166 /nfs/dbraw/zinc/34/71/66/778347166.db2.gz HDZDREIRDDFVQQ-SDKNFDLMSA-N 2 0 266.429 2.549 20 0 CFADRP Fc1ccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001234995417 778348288 /nfs/dbraw/zinc/34/82/88/778348288.db2.gz WXSIUIATOWIKFX-KRWDZBQOSA-N 2 0 276.399 2.834 20 0 CFADRP FC(F)(F)c1ccccc1CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030082 778358529 /nfs/dbraw/zinc/35/85/29/778358529.db2.gz FLECIDYBZBCVSD-HNNXBMFYSA-N 2 0 298.352 2.933 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c1CCN2 ZINC001235038524 778363845 /nfs/dbraw/zinc/36/38/45/778363845.db2.gz NILOAMBGPIJMAB-SFHVURJKSA-N 2 0 285.435 2.763 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235087031 778375652 /nfs/dbraw/zinc/37/56/52/778375652.db2.gz UODXJEOXVRPIJL-GDBMZVCRSA-N 2 0 270.420 2.779 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3cccc(N4CCCC4)c3)C2)CC1 ZINC001235099010 778379256 /nfs/dbraw/zinc/37/92/56/778379256.db2.gz OEDQBDWBOAPWEY-UHFFFAOYSA-N 2 0 299.462 2.814 20 0 CFADRP COc1cc(C)c(CN2CCC[C@@]23CC[NH2+]C3)cc1C ZINC001235111749 778384643 /nfs/dbraw/zinc/38/46/43/778384643.db2.gz ULSWGCMTFXMUBG-KRWDZBQOSA-N 2 0 274.408 2.640 20 0 CFADRP C(C[NH2+]C1CCCCC1)C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235135569 778395249 /nfs/dbraw/zinc/39/52/49/778395249.db2.gz OABSTTZFWJMMCX-UHFFFAOYSA-N 3 0 293.499 2.764 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCCC34CC[NH2+]CC4)c1)CCC2 ZINC001235144439 778396314 /nfs/dbraw/zinc/39/63/14/778396314.db2.gz OYHGGEHOHFLLHE-UHFFFAOYSA-N 2 0 270.420 2.893 20 0 CFADRP Oc1ccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235154411 778398679 /nfs/dbraw/zinc/39/86/79/778398679.db2.gz LMSDCMVEVUQAEY-KRWDZBQOSA-N 2 0 292.398 2.885 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC001235184709 778405643 /nfs/dbraw/zinc/40/56/43/778405643.db2.gz LYDFXRKKZTZGIS-SJORKVTESA-N 2 0 281.403 2.519 20 0 CFADRP CC(C)(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC001235192875 778409846 /nfs/dbraw/zinc/40/98/46/778409846.db2.gz GAOZHQZCBBWRIQ-HZPDHXFCSA-N 2 0 272.436 2.896 20 0 CFADRP COc1ncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235228448 778421619 /nfs/dbraw/zinc/42/16/19/778421619.db2.gz MTPUEWDLNYZTDV-AWEZNQCLSA-N 2 0 295.452 2.506 20 0 CFADRP c1cn2cccc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c2n1 ZINC001235228317 778421809 /nfs/dbraw/zinc/42/18/09/778421809.db2.gz LLTBRCKBYGSDNK-QGZVFWFLSA-N 2 0 298.434 2.688 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001235225357 778421903 /nfs/dbraw/zinc/42/19/03/778421903.db2.gz TWFZDXJBAFVONA-IRXDYDNUSA-N 2 0 299.462 2.718 20 0 CFADRP c1cn2ccc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)cc2n1 ZINC001235226204 778422141 /nfs/dbraw/zinc/42/21/41/778422141.db2.gz AJCVFGMZIOXFIF-KRWDZBQOSA-N 2 0 298.434 2.688 20 0 CFADRP c1[nH]nc2cccc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c12 ZINC001235226310 778422215 /nfs/dbraw/zinc/42/22/15/778422215.db2.gz BVFNDMFSEGLLGW-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP C1=CO[C@H](C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235231237 778423168 /nfs/dbraw/zinc/42/31/68/778423168.db2.gz DPBACAHGMHZXHD-HOTGVXAUSA-N 2 0 264.413 2.533 20 0 CFADRP c1cncc(CCC[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235231261 778423194 /nfs/dbraw/zinc/42/31/94/778423194.db2.gz DTMPSGFPWVOWFV-SFHVURJKSA-N 2 0 287.451 2.868 20 0 CFADRP Cc1cncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232217 778424146 /nfs/dbraw/zinc/42/41/46/778424146.db2.gz WFANNUICOKQTDU-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2cc(F)cc(F)c2)CC1 ZINC001168314319 778425530 /nfs/dbraw/zinc/42/55/30/778425530.db2.gz DKLWKKWUQJKXGZ-UHFFFAOYSA-N 2 0 296.361 2.610 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc2c1C[NH2+]C2 ZINC001235236759 778426687 /nfs/dbraw/zinc/42/66/87/778426687.db2.gz IAGPCOXZKKKCPE-IBGZPJMESA-N 3 0 299.462 2.644 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc([C@@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001168315466 778427046 /nfs/dbraw/zinc/42/70/46/778427046.db2.gz PZLBBGMBWPDVFV-INIZCTEOSA-N 2 0 288.439 2.743 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC001168316091 778429095 /nfs/dbraw/zinc/42/90/95/778429095.db2.gz VMTAFLIZSHTUIG-ZGRYLRDCSA-N 3 0 281.488 2.568 20 0 CFADRP Cc1ccnc2cccc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)c12 ZINC001235247249 778430665 /nfs/dbraw/zinc/43/06/65/778430665.db2.gz BZQJZWNLCBYQON-CRAIPNDOSA-N 2 0 281.403 2.856 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccc3occc31)C2 ZINC001235248128 778430826 /nfs/dbraw/zinc/43/08/26/778430826.db2.gz NZTRHPMXUXDAHS-CZUORRHYSA-N 2 0 256.349 2.746 20 0 CFADRP CSC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324503 778432428 /nfs/dbraw/zinc/43/24/28/778432428.db2.gz QCPTWNGMZFBGNS-UHFFFAOYSA-N 2 0 256.459 2.687 20 0 CFADRP COCC[C@H]1CCCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168323396 778433232 /nfs/dbraw/zinc/43/32/32/778433232.db2.gz XXWOPPCFXFFWFS-HWOWSKLDSA-N 2 0 268.445 2.750 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235270819 778440414 /nfs/dbraw/zinc/44/04/14/778440414.db2.gz NIMDZXRWUJFLKP-NVXWUHKLSA-N 2 0 288.435 2.804 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]12 ZINC001235282616 778442277 /nfs/dbraw/zinc/44/22/77/778442277.db2.gz BUFNHLKSFYXRLF-REPLKXPHSA-N 2 0 276.383 2.647 20 0 CFADRP [NH3+]CCc1nc2ccccc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168353347 778447086 /nfs/dbraw/zinc/44/70/86/778447086.db2.gz LKRYDIZALSBLPB-UHFFFAOYSA-N 2 0 298.434 2.584 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)c2c(c1)CCCC2 ZINC001235339132 778459111 /nfs/dbraw/zinc/45/91/11/778459111.db2.gz DDIKNJCZKSKKCI-OAHLLOKOSA-N 2 0 270.420 2.607 20 0 CFADRP CCN1CCc2ccc(C[NH+]3CCC(C4C[NH2+]C4)CC3)cc21 ZINC001235338093 778459152 /nfs/dbraw/zinc/45/91/52/778459152.db2.gz BDKLBXONQMYEQB-UHFFFAOYSA-N 2 0 299.462 2.500 20 0 CFADRP Cc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc(C)c1F ZINC001235338253 778459429 /nfs/dbraw/zinc/45/94/29/778459429.db2.gz FBODHUIKYISAQU-UHFFFAOYSA-N 2 0 276.399 2.874 20 0 CFADRP c1cc2c(c(C[NH+]3CCC(C4C[NH2+]C4)CC3)c1)CCC2 ZINC001235340043 778460464 /nfs/dbraw/zinc/46/04/64/778460464.db2.gz LKWAGHMSMUHYAL-UHFFFAOYSA-N 2 0 270.420 2.607 20 0 CFADRP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349553 778465337 /nfs/dbraw/zinc/46/53/37/778465337.db2.gz QPKKIKDHPFNVHJ-DZJNRPSUSA-N 2 0 270.420 2.722 20 0 CFADRP Cc1ccnc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168358264 778465891 /nfs/dbraw/zinc/46/58/91/778465891.db2.gz OSBMYGIUURNTNQ-UHFFFAOYSA-N 2 0 287.451 2.787 20 0 CFADRP CC(C)(O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168358758 778469845 /nfs/dbraw/zinc/46/98/45/778469845.db2.gz UQWKRDBROKDZFI-WKILWMFISA-N 2 0 294.483 2.780 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235371465 778470848 /nfs/dbraw/zinc/47/08/48/778470848.db2.gz ZXXPOMJSLAZWHH-MWDXBVQZSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F)c1ccccc1 ZINC001235400364 778475443 /nfs/dbraw/zinc/47/54/43/778475443.db2.gz CLQPDCYHMPBHPA-DJIMGWMZSA-N 2 0 276.399 2.814 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000721254853 778475656 /nfs/dbraw/zinc/47/56/56/778475656.db2.gz OBLLOFKFNLTJSQ-CVEARBPZSA-N 2 0 268.445 2.797 20 0 CFADRP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001235400692 778476594 /nfs/dbraw/zinc/47/65/94/778476594.db2.gz DLPKAQYBSMSTTH-ZWKOTPCHSA-N 2 0 288.410 2.699 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235405427 778478801 /nfs/dbraw/zinc/47/88/01/778478801.db2.gz OSPLGMTWTFQPDI-IRXDYDNUSA-N 2 0 276.399 2.827 20 0 CFADRP Nc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430288 778486574 /nfs/dbraw/zinc/48/65/74/778486574.db2.gz WNYQBVUBPKOTSK-HUUCEWRRSA-N 2 0 291.414 2.620 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697877662 778491142 /nfs/dbraw/zinc/49/11/42/778491142.db2.gz MFTVNPBKSGHPQQ-OLZOCXBDSA-N 2 0 252.377 2.687 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000721256788 778493447 /nfs/dbraw/zinc/49/34/47/778493447.db2.gz WWKRTOPWNLDJJV-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(N)c1 ZINC001168363134 778516681 /nfs/dbraw/zinc/51/66/81/778516681.db2.gz UFYJPLWLXTUZOP-ZDUSSCGKSA-N 2 0 273.424 2.794 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697907706 778522707 /nfs/dbraw/zinc/52/27/07/778522707.db2.gz GAEYQFFPYRQVIC-KGLIPLIRSA-N 2 0 264.413 2.643 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000697920695 778525829 /nfs/dbraw/zinc/52/58/29/778525829.db2.gz QWWRYRQHCGAKJQ-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP FC1(C[N@@H+]2CCC[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001235663338 778530548 /nfs/dbraw/zinc/53/05/48/778530548.db2.gz GAULGUCUNVEGEY-INIZCTEOSA-N 2 0 276.399 2.958 20 0 CFADRP Cc1ccccc1O[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235676112 778532416 /nfs/dbraw/zinc/53/24/16/778532416.db2.gz WOLABJLRNPQZQQ-IAGOWNOFSA-N 2 0 288.435 2.980 20 0 CFADRP COc1ccc(C2CC[NH+](CCCC[NH3+])CC2)cc1 ZINC001235674851 778532536 /nfs/dbraw/zinc/53/25/36/778532536.db2.gz QRQVFPROHNMIMC-UHFFFAOYSA-N 2 0 262.397 2.614 20 0 CFADRP C(CN1CCCC[C@@H]1CC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC001235677726 778533887 /nfs/dbraw/zinc/53/38/87/778533887.db2.gz IDQZLUOIKISCEJ-QZTJIDSGSA-N 2 0 293.499 2.859 20 0 CFADRP C[NH2+]CCCN1CCCC[C@H]1c1ccccc1F ZINC001235681264 778536054 /nfs/dbraw/zinc/53/60/54/778536054.db2.gz XASMMMNSNGPYOG-HNNXBMFYSA-N 2 0 250.361 2.962 20 0 CFADRP Fc1ccc(O[C@H]2CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235687111 778537355 /nfs/dbraw/zinc/53/73/55/778537355.db2.gz DYEGFQQSDVPWMT-RDJZCZTQSA-N 2 0 292.398 2.811 20 0 CFADRP Cc1ccc(O[C@H]2CCC[N@H+](CCCC[NH3+])C2)cc1 ZINC001235687820 778537403 /nfs/dbraw/zinc/53/74/03/778537403.db2.gz JCUYAWBMLCQWDT-INIZCTEOSA-N 2 0 262.397 2.577 20 0 CFADRP Fc1ccc(O[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235688405 778538275 /nfs/dbraw/zinc/53/82/75/778538275.db2.gz PPTZVTNQSNFCSN-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP Fc1ccc(O[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235688404 778538575 /nfs/dbraw/zinc/53/85/75/778538575.db2.gz PPTZVTNQSNFCSN-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP CC1(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH2+]CC1 ZINC001235693712 778539785 /nfs/dbraw/zinc/53/97/85/778539785.db2.gz ZYDXGUNZTOFOOK-QGZVFWFLSA-N 2 0 288.435 2.920 20 0 CFADRP CC[N@H+](Cc1ccccc1)C1CC[NH+](CCCC[NH3+])CC1 ZINC001235711767 778544560 /nfs/dbraw/zinc/54/45/60/778544560.db2.gz ADCYKQMTBCGFIK-UHFFFAOYSA-N 3 0 289.467 2.712 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCCCC1)CCC1CC[NH2+]CC1 ZINC001235715809 778545576 /nfs/dbraw/zinc/54/55/76/778545576.db2.gz XUDCZJPCJXSKOC-UHFFFAOYSA-N 3 0 281.488 2.620 20 0 CFADRP CCC(CC)[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168366062 778548659 /nfs/dbraw/zinc/54/86/59/778548659.db2.gz JKSQYVOUXKHKDG-KRWDZBQOSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC001235771349 778554369 /nfs/dbraw/zinc/55/43/69/778554369.db2.gz LDGRKYTYDTXIRS-AWEZNQCLSA-N 2 0 284.444 2.702 20 0 CFADRP CCOc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccc1F ZINC001235805881 778563407 /nfs/dbraw/zinc/56/34/07/778563407.db2.gz KSWBZQCCPSBPTI-UHFFFAOYSA-N 2 0 292.398 2.752 20 0 CFADRP [NH3+]CCCCCCN1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC001235812604 778565605 /nfs/dbraw/zinc/56/56/05/778565605.db2.gz RVMKFZOGJPFMON-INIZCTEOSA-N 2 0 295.858 2.805 20 0 CFADRP [NH3+]CCCCCCN1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC001235812605 778565731 /nfs/dbraw/zinc/56/57/31/778565731.db2.gz RVMKFZOGJPFMON-MRXNPFEDSA-N 2 0 295.858 2.805 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001235825663 778569822 /nfs/dbraw/zinc/56/98/22/778569822.db2.gz POMQWWOCZKKCOX-GFCCVEGCSA-N 2 0 252.789 2.868 20 0 CFADRP C[N@H+](CCc1cccc(Cl)c1)CC1(F)CC[NH2+]CC1 ZINC001235839439 778575132 /nfs/dbraw/zinc/57/51/32/778575132.db2.gz RWHCMOVPCUGNKK-UHFFFAOYSA-N 2 0 284.806 2.906 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001235864519 778584552 /nfs/dbraw/zinc/58/45/52/778584552.db2.gz IKDAJVFWRCZDCS-CQSZACIVSA-N 2 0 268.401 2.655 20 0 CFADRP [NH3+]CCN(CC[NH3+])Cc1cccc2c3ccccc3sc21 ZINC001235876847 778587650 /nfs/dbraw/zinc/58/76/50/778587650.db2.gz DTWJBLJFYVBEIV-UHFFFAOYSA-N 2 0 299.443 2.774 20 0 CFADRP CC(C)C[C@H]1CN(Cc2cccc(-n3ccnc3)c2)CC[NH2+]1 ZINC001235881337 778588515 /nfs/dbraw/zinc/58/85/15/778588515.db2.gz MQWNSPPBQXSRNU-KRWDZBQOSA-N 2 0 298.434 2.692 20 0 CFADRP [NH3+]CCC1C[NH+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC001235918747 778608787 /nfs/dbraw/zinc/60/87/87/778608787.db2.gz KLPGHCJRNBDCCW-UHFFFAOYSA-N 2 0 262.441 2.874 20 0 CFADRP CCCCOc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235934566 778615371 /nfs/dbraw/zinc/61/53/71/778615371.db2.gz BPMOCJLTVNPLON-IRXDYDNUSA-N 2 0 288.435 2.907 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235936312 778616263 /nfs/dbraw/zinc/61/62/63/778616263.db2.gz GMSWYYPWTZTLSK-SJORKVTESA-N 2 0 258.409 2.851 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235934695 778616988 /nfs/dbraw/zinc/61/69/88/778616988.db2.gz CSQOEWZRIOGBJA-RDJZCZTQSA-N 2 0 281.403 2.519 20 0 CFADRP c1ccn(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235936942 778617784 /nfs/dbraw/zinc/61/77/84/778617784.db2.gz HMYMDVBQIGSEDP-IAGOWNOFSA-N 2 0 281.403 2.519 20 0 CFADRP Cc1c(Cl)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC001235942819 778618953 /nfs/dbraw/zinc/61/89/53/778618953.db2.gz YEABFIDBASKETC-LSDHHAIUSA-N 2 0 278.827 2.998 20 0 CFADRP Cc1c(Cl)ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1C ZINC001235942814 778619142 /nfs/dbraw/zinc/61/91/42/778619142.db2.gz YEABFIDBASKETC-GJZGRUSLSA-N 2 0 278.827 2.998 20 0 CFADRP c1cc2n(c1C[N@@H+]1CC[C@@H](C3CCCCC3)C1)CC[NH2+]C2 ZINC001235949537 778624135 /nfs/dbraw/zinc/62/41/35/778624135.db2.gz OAXJIRNHYWJHSK-MRXNPFEDSA-N 2 0 287.451 2.994 20 0 CFADRP CC1=C[C@H](C)[C@@H](C[N@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001235952468 778625062 /nfs/dbraw/zinc/62/50/62/778625062.db2.gz XTWIXDNTSZGRJQ-ARFHVFGLSA-N 2 0 250.430 2.910 20 0 CFADRP C[N@@H+](Cc1ccccc1-n1cccc1)C[C@H]1CCC[NH2+]C1 ZINC001235957274 778627446 /nfs/dbraw/zinc/62/74/46/778627446.db2.gz LSDYIEVUKXDZTM-INIZCTEOSA-N 2 0 283.419 2.909 20 0 CFADRP CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958781 778628413 /nfs/dbraw/zinc/62/84/13/778628413.db2.gz DWAJECMGKCXABV-BJWYYQGGSA-N 2 0 258.409 2.808 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001235960061 778629284 /nfs/dbraw/zinc/62/92/84/778629284.db2.gz VBFRLZCXRKPDDI-IZZQQSIFSA-N 2 0 299.462 2.846 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1CC ZINC001235960333 778629922 /nfs/dbraw/zinc/62/99/22/778629922.db2.gz UAINAJGTCVTOPI-ALXJQNPVSA-N 2 0 288.435 2.817 20 0 CFADRP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001235963909 778630809 /nfs/dbraw/zinc/63/08/09/778630809.db2.gz XYPPQNKHWLZMPC-BRWVUGGUSA-N 2 0 298.471 2.628 20 0 CFADRP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CCCC[NH3+] ZINC001235963921 778631995 /nfs/dbraw/zinc/63/19/95/778631995.db2.gz YASGSYATHXNAQC-GJZGRUSLSA-N 2 0 256.434 2.989 20 0 CFADRP c1ccc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236006519 778651628 /nfs/dbraw/zinc/65/16/28/778651628.db2.gz PGWBWRUYSYLFQW-UXHICEINSA-N 2 0 292.426 2.702 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCc2ccccc2)C1 ZINC001236066346 778679749 /nfs/dbraw/zinc/67/97/49/778679749.db2.gz ICTQUTKYTUCMSC-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP CCn1ccc2c1cccc2C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC001236067594 778679754 /nfs/dbraw/zinc/67/97/54/778679754.db2.gz QBACUBRNKNPWEE-CQSZACIVSA-N 2 0 271.408 2.703 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236072602 778680863 /nfs/dbraw/zinc/68/08/63/778680863.db2.gz SUAZRFRRQSGHIK-CQSZACIVSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@H](CC[N@@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1)CC(C)(C)C ZINC001236077794 778683128 /nfs/dbraw/zinc/68/31/28/778683128.db2.gz CMMBAYFUEXRHFG-NVXWUHKLSA-N 2 0 295.515 2.804 20 0 CFADRP C[C@@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348316481 778688581 /nfs/dbraw/zinc/68/85/81/778688581.db2.gz IOJHBEFBMNFUOE-RLHTVVPMSA-N 2 0 288.435 2.541 20 0 CFADRP F[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373847 778702765 /nfs/dbraw/zinc/70/27/65/778702765.db2.gz VTIIYXXJRYQLMJ-CQSZACIVSA-N 2 0 254.393 2.685 20 0 CFADRP CCCC[C@H]1CN(Cc2cc3c[nH+]ccc3[nH]2)CC[NH2+]1 ZINC001236135761 778708914 /nfs/dbraw/zinc/70/89/14/778708914.db2.gz BKIRNJOVKJSJHD-AWEZNQCLSA-N 2 0 272.396 2.527 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN(C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236236278 778746477 /nfs/dbraw/zinc/74/64/77/778746477.db2.gz JHBCHVPVSXDVLW-KRWDZBQOSA-N 2 0 279.472 2.515 20 0 CFADRP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCCCC[NH3+] ZINC001236253063 778754673 /nfs/dbraw/zinc/75/46/73/778754673.db2.gz JTDVHBKQBYRHIY-SFHVURJKSA-N 2 0 289.467 2.712 20 0 CFADRP C[N@H+](C[C@H]1CC1(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168387345 778765381 /nfs/dbraw/zinc/76/53/81/778765381.db2.gz FAJUMPZQVJZUSV-CQSZACIVSA-N 2 0 250.430 2.839 20 0 CFADRP CC1(C)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168390300 778770937 /nfs/dbraw/zinc/77/09/37/778770937.db2.gz GRURZFQBRPFKRP-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)s1 ZINC001236315513 778773931 /nfs/dbraw/zinc/77/39/31/778773931.db2.gz JUALYQRSSGRWMQ-OKILXGFUSA-N 2 0 264.438 2.796 20 0 CFADRP c1ccc(C[C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168391088 778774446 /nfs/dbraw/zinc/77/44/46/778774446.db2.gz MCBDGRGDCZSXRF-LJQANCHMSA-N 2 0 299.462 2.963 20 0 CFADRP Cn1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc2ccccc21 ZINC001236321093 778778125 /nfs/dbraw/zinc/77/81/25/778778125.db2.gz VNLIYTFMQCJPQZ-IYBDPMFKSA-N 2 0 283.419 2.610 20 0 CFADRP Fc1cccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccnc12 ZINC001236321840 778778969 /nfs/dbraw/zinc/77/89/69/778778969.db2.gz NOHJXCRWRVHWGO-OKILXGFUSA-N 2 0 299.393 2.805 20 0 CFADRP C[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001168392646 778779914 /nfs/dbraw/zinc/77/99/14/778779914.db2.gz REEKOWBHLREGRE-ZIAGYGMSSA-N 2 0 250.430 2.981 20 0 CFADRP COC(C)(C)[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392574 778780776 /nfs/dbraw/zinc/78/07/76/778780776.db2.gz QJRCXDBVNLMUBT-MRXNPFEDSA-N 2 0 280.456 2.750 20 0 CFADRP Nc1ccc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC001236335713 778784955 /nfs/dbraw/zinc/78/49/55/778784955.db2.gz LRJGKJXNRDUXOW-UHFFFAOYSA-N 2 0 287.451 2.838 20 0 CFADRP C[NH+](C)CCOc1ccccc1-c1cccc2c1CC[NH2+]C2 ZINC001236355532 778789542 /nfs/dbraw/zinc/78/95/42/778789542.db2.gz XEGIULXKVAWLIH-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@H]1CCc2cc(F)ccc2C1 ZINC001168399922 778799293 /nfs/dbraw/zinc/79/92/93/778799293.db2.gz GAISPHYHQZMQFS-INIZCTEOSA-N 2 0 264.388 2.744 20 0 CFADRP CC[N@H+](CCCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236407176 778805535 /nfs/dbraw/zinc/80/55/35/778805535.db2.gz CXHFEXZOCLFMDV-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC(C)=C[C@@H]1C ZINC001236408747 778805808 /nfs/dbraw/zinc/80/58/08/778805808.db2.gz RYXCLZJDSOJYIE-ARFHVFGLSA-N 2 0 250.430 2.910 20 0 CFADRP COC(C)(C)CCC[C@H](C)CC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410736 778806414 /nfs/dbraw/zinc/80/64/14/778806414.db2.gz KJKSDPRRRNOVMY-CAOSSQGBSA-N 2 0 282.472 2.758 20 0 CFADRP CCOc1ccc(C)c(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)c1 ZINC001236412114 778806629 /nfs/dbraw/zinc/80/66/29/778806629.db2.gz RCKBEZSOSRMAFZ-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2cc(C[NH3+])ccn2)cc1 ZINC001236423727 778818412 /nfs/dbraw/zinc/81/84/12/778818412.db2.gz ATRIXJOGLRRMRZ-UHFFFAOYSA-N 2 0 269.392 2.953 20 0 CFADRP CC1(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]CC1 ZINC001236541499 778871379 /nfs/dbraw/zinc/87/13/79/778871379.db2.gz LTTXPMYUUBSUJM-QAQDUYKDSA-N 3 0 293.499 2.748 20 0 CFADRP CC[NH2+]CCN(Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554569 778875850 /nfs/dbraw/zinc/87/58/50/778875850.db2.gz LHTZMKCFLMXIIL-IYARVYRRSA-N 2 0 289.467 2.676 20 0 CFADRP CC(C)C[N@H+](Cc1cccc(C[NH3+])c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554879 778875956 /nfs/dbraw/zinc/87/59/56/778875956.db2.gz ZRLSJNQSPDSALS-IYARVYRRSA-N 3 0 289.467 2.873 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236565870 778877416 /nfs/dbraw/zinc/87/74/16/778877416.db2.gz QLBOLHPCWAWXTI-BFYDXBDKSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+]Cc1cccc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236654748 778904910 /nfs/dbraw/zinc/90/49/10/778904910.db2.gz QSEVOGHJZICBEB-GOSISDBHSA-N 2 0 287.451 2.642 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(F)c(O)c1)CC2 ZINC001236709135 778918581 /nfs/dbraw/zinc/91/85/81/778918581.db2.gz VLAFHRBDUGKXNF-UHFFFAOYSA-N 2 0 292.398 2.839 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCO)Cc2ccc(F)cc2)CC1 ZINC001236741226 778926112 /nfs/dbraw/zinc/92/61/12/778926112.db2.gz ALQZTNKDDOGTSW-QAQDUYKDSA-N 2 0 294.414 2.670 20 0 CFADRP [NH3+]CCCC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236743238 778927131 /nfs/dbraw/zinc/92/71/31/778927131.db2.gz UPGDIGVIFMFMMD-QAQDUYKDSA-N 3 0 293.430 2.637 20 0 CFADRP CCOC(=O)C[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236756604 778928503 /nfs/dbraw/zinc/92/85/03/778928503.db2.gz YIUXHIAXZVNTSY-WKILWMFISA-N 2 0 296.455 2.702 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CC[NH2+]C2)CC2CCCCC2)CC1 ZINC001236756292 778929409 /nfs/dbraw/zinc/92/94/09/778929409.db2.gz UCRWBJKOEUVXNG-KZNAEPCWSA-N 3 0 293.499 2.748 20 0 CFADRP CCC(CC)[N@H+](Cc1cccc(N)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236789902 778936928 /nfs/dbraw/zinc/93/69/28/778936928.db2.gz AILQCOLIICIRAD-SAZUREKKSA-N 2 0 290.455 2.924 20 0 CFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1C ZINC001236818987 778951920 /nfs/dbraw/zinc/95/19/20/778951920.db2.gz LNJQWSILABEBKZ-BHYGNILZSA-N 2 0 288.435 2.790 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236831345 778957617 /nfs/dbraw/zinc/95/76/17/778957617.db2.gz QOMDFFZHQZPJFX-UAGQMJEPSA-N 2 0 258.409 2.727 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)cc1C)C[C@H]1CC[NH2+]C1 ZINC001236836519 778960458 /nfs/dbraw/zinc/96/04/58/778960458.db2.gz WSKARMDEKQSPAU-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CC[C@H]([NH3+])C[N@H+](C)CCCCCCCCCC(=O)OC ZINC001236859707 778968106 /nfs/dbraw/zinc/96/81/06/778968106.db2.gz LMGULPKIOWIMAQ-HNNXBMFYSA-N 2 0 286.460 2.949 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1ccccc1N1CCCCC1 ZINC001236869184 778969089 /nfs/dbraw/zinc/96/90/89/778969089.db2.gz VFIHNSNZSKKZNZ-INIZCTEOSA-N 2 0 275.440 2.846 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCCCC34CC4)c2)CC1 ZINC001236888266 778974071 /nfs/dbraw/zinc/97/40/71/778974071.db2.gz AMPQWQAHFGOYCV-UHFFFAOYSA-N 2 0 299.462 2.957 20 0 CFADRP C[NH+](C)CCN(CCCC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001236925376 778981527 /nfs/dbraw/zinc/98/15/27/778981527.db2.gz XLMAEGODGVWAFY-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP c1ccc(CC[C@H]2CCC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1 ZINC001236948448 778984696 /nfs/dbraw/zinc/98/46/96/778984696.db2.gz FCAQBCWXMBYUNS-YRXWBPOGSA-N 2 0 284.447 2.797 20 0 CFADRP c1ccc(CC[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC001236950646 778984954 /nfs/dbraw/zinc/98/49/54/778984954.db2.gz OBBXQKZGXXZOCJ-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP [NH3+]CCCCN1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001237041207 778996119 /nfs/dbraw/zinc/99/61/19/778996119.db2.gz DTZRGXSCDKHWHL-AWEZNQCLSA-N 2 0 268.351 2.850 20 0 CFADRP C[NH+](C)CCCN[C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001278048699 779005275 /nfs/dbraw/zinc/00/52/75/779005275.db2.gz AECOWRBCOBLWCI-ZWKOTPCHSA-N 2 0 293.499 2.905 20 0 CFADRP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CNCCO2 ZINC001237144038 779024064 /nfs/dbraw/zinc/02/40/64/779024064.db2.gz UECGXRCKPGQPEM-LJQANCHMSA-N 2 0 296.414 2.713 20 0 CFADRP C[C@@H]1OC2(CC[NH+](CCCC[NH3+])CC2)c2ccccc21 ZINC001237145394 779025995 /nfs/dbraw/zinc/02/59/95/779025995.db2.gz NQCDRDJHFPWBNH-AWEZNQCLSA-N 2 0 274.408 2.808 20 0 CFADRP Cc1cc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1O ZINC001237154104 779028600 /nfs/dbraw/zinc/02/86/00/779028600.db2.gz JEKBUGNVUBBFLI-MRXNPFEDSA-N 2 0 274.408 2.807 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001237187475 779042101 /nfs/dbraw/zinc/04/21/01/779042101.db2.gz HMEJZIMINKUEBA-QGZVFWFLSA-N 2 0 276.399 2.844 20 0 CFADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])C[C@@](C)(C(F)F)O1 ZINC000698847067 779068256 /nfs/dbraw/zinc/06/82/56/779068256.db2.gz YETXOWIIHNTCFV-JSGCOSHPSA-N 2 0 278.387 2.640 20 0 CFADRP [NH3+][C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)CCCN3)CC2 ZINC001237356944 779083285 /nfs/dbraw/zinc/08/32/85/779083285.db2.gz PIXVTHXIXLJDMH-QGZVFWFLSA-N 2 0 285.435 2.748 20 0 CFADRP c1cc2c(cccc2C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)[nH]1 ZINC001237384017 779088876 /nfs/dbraw/zinc/08/88/76/779088876.db2.gz TYHVJFIWSLOSRH-ZBFHGGJFSA-N 2 0 269.392 2.742 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)OCc1ccccc1 ZINC001237384732 779089525 /nfs/dbraw/zinc/08/95/25/779089525.db2.gz XTSKWIGMFRYZCC-JQHSSLGASA-N 2 0 288.435 2.666 20 0 CFADRP c1cc2c(cccc2C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)[nH]1 ZINC001237384015 779089903 /nfs/dbraw/zinc/08/99/03/779089903.db2.gz TYHVJFIWSLOSRH-HOCLYGCPSA-N 2 0 269.392 2.742 20 0 CFADRP Cn1ccc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237394835 779094690 /nfs/dbraw/zinc/09/46/90/779094690.db2.gz WKNYJOSWZFMMOZ-DLBZAZTESA-N 2 0 283.419 2.752 20 0 CFADRP Cn1ccc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc21 ZINC001237394836 779095499 /nfs/dbraw/zinc/09/54/99/779095499.db2.gz WKNYJOSWZFMMOZ-IAGOWNOFSA-N 2 0 283.419 2.752 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237400916 779095984 /nfs/dbraw/zinc/09/59/84/779095984.db2.gz BCOLYJJTXXWWIQ-IRXDYDNUSA-N 2 0 258.409 2.823 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400915 779096378 /nfs/dbraw/zinc/09/63/78/779096378.db2.gz BCOLYJJTXXWWIQ-IAGOWNOFSA-N 2 0 258.409 2.823 20 0 CFADRP CC(C)c1cccc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001237462826 779114167 /nfs/dbraw/zinc/11/41/67/779114167.db2.gz OYNPQGLCFLRRIV-UHFFFAOYSA-N 2 0 291.483 2.735 20 0 CFADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168444914 779143760 /nfs/dbraw/zinc/14/37/60/779143760.db2.gz ICECUOLZPSVORQ-BPQIPLTHSA-N 2 0 288.410 2.567 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(F)ccc4C3)C2)C1 ZINC001168446036 779150774 /nfs/dbraw/zinc/15/07/74/779150774.db2.gz OABBNFJBEVPKPT-ROUUACIJSA-N 2 0 288.410 2.711 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001205094157 779166396 /nfs/dbraw/zinc/16/63/96/779166396.db2.gz JEYSHXZUISFOAB-LBPRGKRZSA-N 2 0 288.313 2.898 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001205094871 779169909 /nfs/dbraw/zinc/16/99/09/779169909.db2.gz RHHCKFXLZRTZSU-KRWDZBQOSA-N 2 0 287.451 2.716 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC(C)([NH+](C)C)C3)cc21 ZINC001237886616 779200141 /nfs/dbraw/zinc/20/01/41/779200141.db2.gz PBYUITZSRBGYFL-UHFFFAOYSA-N 2 0 299.462 2.824 20 0 CFADRP [NH3+][C@@H]1CCCN(Cc2cc(F)ccc2Cl)CC1 ZINC001205101725 779210517 /nfs/dbraw/zinc/21/05/17/779210517.db2.gz JVPXAAOTTNNGPJ-GFCCVEGCSA-N 2 0 256.752 2.792 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](CCc1c[nH]c3ccccc13)CC2 ZINC001278166045 779214532 /nfs/dbraw/zinc/21/45/32/779214532.db2.gz BIFDSSPQSJKCJL-UHFFFAOYSA-N 2 0 283.419 2.738 20 0 CFADRP C[N@H+](CCOCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699234646 779224756 /nfs/dbraw/zinc/22/47/56/779224756.db2.gz QVEOMURVLMLLSU-AYHJJNSGSA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)(C)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263996 779229627 /nfs/dbraw/zinc/22/96/27/779229627.db2.gz NEUFPPYSPNBIMB-NUDNTCICSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccccc1C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699287841 779237306 /nfs/dbraw/zinc/23/73/06/779237306.db2.gz JFZQRCWYSZIWIU-ZXFUBFMLSA-N 2 0 258.409 2.957 20 0 CFADRP CCOc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)ccc1C ZINC001238077463 779248315 /nfs/dbraw/zinc/24/83/15/779248315.db2.gz QNLLGIHYQLCWTJ-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP Cc1ccc([C@H](C)CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC001205131383 779286842 /nfs/dbraw/zinc/28/68/42/779286842.db2.gz WZIRRHXNRRGZAX-MBNYWOFBSA-N 2 0 250.386 2.608 20 0 CFADRP Clc1ccc(CCCN2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235037225 779304595 /nfs/dbraw/zinc/30/45/95/779304595.db2.gz DMNIERYYLZLTAK-LSDHHAIUSA-N 2 0 264.800 2.709 20 0 CFADRP c1cc2c(cc1C[NH+]1CC3(C1)CCCC3)C[NH2+]CC2 ZINC001235026817 779304310 /nfs/dbraw/zinc/30/43/10/779304310.db2.gz TVBPUJQOBGSCHI-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC001205136120 779306779 /nfs/dbraw/zinc/30/67/79/779306779.db2.gz PFNZQBQVFTVDHB-NWDGAFQWSA-N 2 0 252.427 2.727 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](CCCc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC001235211665 779329198 /nfs/dbraw/zinc/32/91/98/779329198.db2.gz ZNVRKGAPYBRVEJ-YABSGUDNSA-N 2 0 285.218 2.815 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OC(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC001205145769 779344776 /nfs/dbraw/zinc/34/47/76/779344776.db2.gz GDNGMHMCJGRYJH-DZGCQCFKSA-N 2 0 276.424 2.891 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000715259928 779351579 /nfs/dbraw/zinc/35/15/79/779351579.db2.gz BVJKZPWYFGAZTK-HZPDHXFCSA-N 2 0 281.488 2.712 20 0 CFADRP COc1cc(C)c(C)cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001238767518 779386013 /nfs/dbraw/zinc/38/60/13/779386013.db2.gz QNDBAPWEZWUZNF-SFHVURJKSA-N 2 0 288.435 2.840 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)c1 ZINC001235929826 779409418 /nfs/dbraw/zinc/40/94/18/779409418.db2.gz UUKALFCBBGGRKE-CVEARBPZSA-N 2 0 258.409 2.653 20 0 CFADRP COCC[N@H+](C[C@H]1CCC(C)=C[C@@H]1C)C1CC[NH2+]CC1 ZINC001235945327 779413377 /nfs/dbraw/zinc/41/33/77/779413377.db2.gz FKRMIXWHINJVRM-JKSUJKDBSA-N 2 0 280.456 2.679 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235947437 779414553 /nfs/dbraw/zinc/41/45/53/779414553.db2.gz BDYZUEBUMGOJJS-ZIAGYGMSSA-N 2 0 250.430 2.744 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCC2)C[C@H]1CCC[NH2+]C1 ZINC001235958501 779415229 /nfs/dbraw/zinc/41/52/29/779415229.db2.gz GPCDVGOPNYLFQO-AWEZNQCLSA-N 2 0 258.409 2.607 20 0 CFADRP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CCC1C[NH2+]C1 ZINC001235962109 779415943 /nfs/dbraw/zinc/41/59/43/779415943.db2.gz LKXDQKPLMRRDLM-HZPDHXFCSA-N 2 0 268.445 2.859 20 0 CFADRP Cc1cc(C)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001239525666 779607965 /nfs/dbraw/zinc/60/79/65/779607965.db2.gz ZECJYDCMHOKIRT-UHFFFAOYSA-N 2 0 267.376 2.775 20 0 CFADRP Cc1csc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237380293 779682389 /nfs/dbraw/zinc/68/23/89/779682389.db2.gz GLMYPBOBKZWUBP-GXTWGEPZSA-N 2 0 250.411 2.630 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC001239685174 779709883 /nfs/dbraw/zinc/70/98/83/779709883.db2.gz YBSGHJFPSLGOKK-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP c1cc2cnccc2c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001240009025 779908533 /nfs/dbraw/zinc/90/85/33/779908533.db2.gz HKCQIJBNSICAKF-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205210305 779914878 /nfs/dbraw/zinc/91/48/78/779914878.db2.gz NRFDARSNPDJCER-QGZUEGPWSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205211934 779926870 /nfs/dbraw/zinc/92/68/70/779926870.db2.gz WYLATLWIEPUQBM-SFHVURJKSA-N 2 0 290.451 2.660 20 0 CFADRP c1cc(-c2ccc3c(n2)CC[NH2+]C3)ccc1C[NH+]1CCCC1 ZINC001240045137 779926961 /nfs/dbraw/zinc/92/69/61/779926961.db2.gz LTGKCJATNFTNJW-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP CCCn1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cn1 ZINC001240133838 779957968 /nfs/dbraw/zinc/95/79/68/779957968.db2.gz DYAQEKDVGOBGRV-UHFFFAOYSA-N 2 0 298.434 2.883 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000721918700 779966383 /nfs/dbraw/zinc/96/63/83/779966383.db2.gz LGAQKZYDSVWYDG-IRXDYDNUSA-N 2 0 282.472 2.617 20 0 CFADRP CCC1(Nc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C[NH2+]C1 ZINC001168582134 780002498 /nfs/dbraw/zinc/00/24/98/780002498.db2.gz ITKOURNLMVQXMP-UHFFFAOYSA-N 2 0 271.408 2.852 20 0 CFADRP C[N@H+](Cc1ccc(-c2ccc3c(c2)CC[NH2+]C3)nc1)C1CC1 ZINC001240454909 780175986 /nfs/dbraw/zinc/17/59/86/780175986.db2.gz XEKUHNCKZQNBKS-UHFFFAOYSA-N 2 0 293.414 2.989 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168675794 780266235 /nfs/dbraw/zinc/26/62/35/780266235.db2.gz HQOLMNVNLGEZKY-AWEZNQCLSA-N 2 0 278.827 2.739 20 0 CFADRP C[N@@H+]1CCCC[C@H]1c1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240656471 780331472 /nfs/dbraw/zinc/33/14/72/780331472.db2.gz APORQDOMDNFDJB-INIZCTEOSA-N 2 0 257.381 2.615 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000453107204 780414780 /nfs/dbraw/zinc/41/47/80/780414780.db2.gz KPQVQBNNCHYCMH-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000453119921 780415098 /nfs/dbraw/zinc/41/50/98/780415098.db2.gz MWSFOMJCUZXJNI-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)ccc2O1 ZINC000922180719 780456601 /nfs/dbraw/zinc/45/66/01/780456601.db2.gz HDPNKJDZEFLSKC-LSDHHAIUSA-N 2 0 288.435 2.832 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3c[nH+]cc4cc[nH]c43)cc2)CC1 ZINC001240851898 780478142 /nfs/dbraw/zinc/47/81/42/780478142.db2.gz CYJAYKJRSMJVAC-UHFFFAOYSA-N 2 0 292.386 2.982 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001240854623 780479142 /nfs/dbraw/zinc/47/91/42/780479142.db2.gz LUMTZQZMZGMMTE-AWEZNQCLSA-N 2 0 296.418 2.520 20 0 CFADRP C[NH+](C)CCC[N@H+](C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168718219 780493107 /nfs/dbraw/zinc/49/31/07/780493107.db2.gz NHEWEYHPMKTKDI-ZDUSSCGKSA-N 2 0 266.816 2.691 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168741760 780595715 /nfs/dbraw/zinc/59/57/15/780595715.db2.gz AGYYNYFFUXGLTG-ZNMIVQPWSA-N 2 0 290.838 2.691 20 0 CFADRP COc1cc(C)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1C ZINC001241136046 780661174 /nfs/dbraw/zinc/66/11/74/780661174.db2.gz OLUPIILOOHHQKZ-UHFFFAOYSA-N 2 0 297.402 2.784 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000700314535 780676928 /nfs/dbraw/zinc/67/69/28/780676928.db2.gz VFLUBUAXKRNDIA-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000700313417 780676978 /nfs/dbraw/zinc/67/69/78/780676978.db2.gz NUKVPIQYEOMILM-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000700583942 780700754 /nfs/dbraw/zinc/70/07/54/780700754.db2.gz NDMIWRHPDZQMQP-CABCVRRESA-N 2 0 278.440 2.946 20 0 CFADRP C[N@H+]1CC=C(c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)CC1 ZINC001241330739 780784652 /nfs/dbraw/zinc/78/46/52/780784652.db2.gz YBKBBBPCKXBRJA-UHFFFAOYSA-N 3 0 299.462 2.576 20 0 CFADRP [NH3+]Cc1ccnc(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001241500850 780945956 /nfs/dbraw/zinc/94/59/56/780945956.db2.gz UVFBYDOUIAFJAD-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP CC1(O)CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000703002063 780976304 /nfs/dbraw/zinc/97/63/04/780976304.db2.gz BLEMIJXEJJMRBH-UHFFFAOYSA-N 2 0 268.445 2.579 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc([C@H]3CCC[NH2+]C3)cc2)C1 ZINC001241570303 780986826 /nfs/dbraw/zinc/98/68/26/780986826.db2.gz GYGMYBSVJPURCJ-INIZCTEOSA-N 2 0 256.393 2.873 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703592122 781036012 /nfs/dbraw/zinc/03/60/12/781036012.db2.gz GRZJKRUGQONPBO-ZNMIVQPWSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000703806356 781064464 /nfs/dbraw/zinc/06/44/64/781064464.db2.gz UQAJRTDDBXUAHD-PFSRBDOWSA-N 2 0 266.429 2.582 20 0 CFADRP CCCOc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001241747733 781107997 /nfs/dbraw/zinc/10/79/97/781107997.db2.gz LIJYHQOKWOXRON-UHFFFAOYSA-N 2 0 297.402 2.947 20 0 CFADRP CC(C)([NH3+])c1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC001241777049 781124320 /nfs/dbraw/zinc/12/43/20/781124320.db2.gz JSHRIRWLXPKYOJ-UHFFFAOYSA-N 2 0 284.407 2.668 20 0 CFADRP [NH3+]C1(c2ccccc2-c2cnn(C3CC[NH2+]CC3)c2)CCC1 ZINC001241777289 781124328 /nfs/dbraw/zinc/12/43/28/781124328.db2.gz NFZMJTQQEMZKCA-UHFFFAOYSA-N 2 0 296.418 2.813 20 0 CFADRP c1cc(N2CC[NH2+]CC2)cc(-c2ccc3c(c2)CCCN3)[nH+]1 ZINC001241836564 781149907 /nfs/dbraw/zinc/14/99/07/781149907.db2.gz WJVLGUYUVUICFS-UHFFFAOYSA-N 2 0 294.402 2.516 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000705968758 781154702 /nfs/dbraw/zinc/15/47/02/781154702.db2.gz CDDNSQOQBLMIIE-HIFRSBDPSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000706456865 781175293 /nfs/dbraw/zinc/17/52/93/781175293.db2.gz RKIYUZQIKXZABN-PHIMTYICSA-N 2 0 250.411 2.767 20 0 CFADRP [NH3+]Cc1ccc(-c2cc(N3CCCC3)cc[nH+]2)cc1 ZINC001241912154 781177808 /nfs/dbraw/zinc/17/78/08/781177808.db2.gz IPXMCQFAEQMLPK-UHFFFAOYSA-N 2 0 253.349 2.808 20 0 CFADRP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000706544785 781186735 /nfs/dbraw/zinc/18/67/35/781186735.db2.gz QMSFGJZDBMTMHM-DSJMHWKBSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1cc(-c2ccccc2CN2CC[NH2+]CC2)cc(C)n1 ZINC001241996665 781223429 /nfs/dbraw/zinc/22/34/29/781223429.db2.gz YCMABCFAEXLIPW-UHFFFAOYSA-N 2 0 281.403 2.771 20 0 CFADRP [NH3+]C1(c2ccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CCC1 ZINC001242023437 781237530 /nfs/dbraw/zinc/23/75/30/781237530.db2.gz CATBYUCUQGQYQQ-CVEARBPZSA-N 2 0 254.377 2.932 20 0 CFADRP [NH3+]C1(c2ccccc2C2=C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001242025071 781238611 /nfs/dbraw/zinc/23/86/11/781238611.db2.gz IFARRVHQTHWRDQ-KGLIPLIRSA-N 2 0 254.377 2.932 20 0 CFADRP Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(C[NH+](C)C)c1 ZINC001242027800 781241079 /nfs/dbraw/zinc/24/10/79/781241079.db2.gz LWQBLHHALYAOBF-CVEARBPZSA-N 2 0 256.393 2.964 20 0 CFADRP CO[C@@H](C)c1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001242033371 781244231 /nfs/dbraw/zinc/24/42/31/781244231.db2.gz XGUUQKQDMPUXCS-AWEZNQCLSA-N 2 0 297.402 2.866 20 0 CFADRP Cc1cc(N)ncc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001242095637 781276825 /nfs/dbraw/zinc/27/68/25/781276825.db2.gz KLEXCWXKLJXDQI-UHFFFAOYSA-N 2 0 296.418 2.562 20 0 CFADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@]12C[C@H]1CCCC2 ZINC000708887423 781283764 /nfs/dbraw/zinc/28/37/64/781283764.db2.gz WLKRTIQTYDNDQZ-LXJPTTPGSA-N 2 0 260.425 2.541 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@]12C[C@H]1CCCC2 ZINC000709158556 781290041 /nfs/dbraw/zinc/29/00/41/781290041.db2.gz RWXLXCLTILVLKR-IMJJTQAJSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)CC(C)(C)C ZINC000709157955 781290067 /nfs/dbraw/zinc/29/00/67/781290067.db2.gz AEBRTPBQTQNMPU-AWEZNQCLSA-N 2 0 270.461 2.889 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709656021 781296509 /nfs/dbraw/zinc/29/65/09/781296509.db2.gz LVAGTQSIBMDQFR-ZDUSSCGKSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1c(N)cc[nH+]c1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242147839 781300972 /nfs/dbraw/zinc/30/09/72/781300972.db2.gz OGGYEJJCKPFVCN-UHFFFAOYSA-N 2 0 271.364 2.580 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709824815 781319160 /nfs/dbraw/zinc/31/91/60/781319160.db2.gz GMIITGUXQNWMMP-TZMCWYRMSA-N 2 0 286.341 2.872 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)(C)C ZINC000709856974 781320213 /nfs/dbraw/zinc/32/02/13/781320213.db2.gz YASCXAXOXXYJMM-GMTAPVOTSA-N 2 0 266.351 2.738 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709921189 781322809 /nfs/dbraw/zinc/32/28/09/781322809.db2.gz VNPHTSFGKOZJCH-HOTGVXAUSA-N 2 0 278.440 2.554 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cccc(Cl)n1 ZINC000710759779 781337558 /nfs/dbraw/zinc/33/75/58/781337558.db2.gz OTNOSYNVYONFRS-UHFFFAOYSA-N 2 0 255.793 2.686 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cc(F)cc(F)c1 ZINC000710781201 781339502 /nfs/dbraw/zinc/33/95/02/781339502.db2.gz MZCKZAACAPHHMC-UHFFFAOYSA-N 2 0 256.340 2.916 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](CC)CO1 ZINC000710896699 781344352 /nfs/dbraw/zinc/34/43/52/781344352.db2.gz CWPBQQVSYBILJC-KBPBESRZSA-N 2 0 294.464 2.783 20 0 CFADRP CCC1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCC1 ZINC000710938472 781348093 /nfs/dbraw/zinc/34/80/93/781348093.db2.gz DMJZYRVJUYWCFX-UHFFFAOYSA-N 2 0 250.411 2.816 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711170734 781393030 /nfs/dbraw/zinc/39/30/30/781393030.db2.gz VZRXIALITXSTOK-FZKCQIBNSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)s1 ZINC000711356001 781414765 /nfs/dbraw/zinc/41/47/65/781414765.db2.gz HKPRPNXNLZMAMQ-PSOPSSQASA-N 2 0 279.453 2.943 20 0 CFADRP c1cc2cccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)c2[nH]1 ZINC001242359882 781435195 /nfs/dbraw/zinc/43/51/95/781435195.db2.gz QCEXDWLOTXRSCD-UHFFFAOYSA-N 2 0 278.359 2.640 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711732040 781467865 /nfs/dbraw/zinc/46/78/65/781467865.db2.gz NDNFDSLSKFTMAA-CQSZACIVSA-N 2 0 278.444 2.818 20 0 CFADRP c1cc(-c2ccc([C@H]3CCC[NH2+]3)cn2)cc2c1C[NH2+]C2 ZINC001242674454 781689242 /nfs/dbraw/zinc/68/92/42/781689242.db2.gz VYSHOVPLGMRTJZ-MRXNPFEDSA-N 2 0 265.360 2.776 20 0 CFADRP [NH3+]Cc1cccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC001242689151 781697800 /nfs/dbraw/zinc/69/78/00/781697800.db2.gz WWRQMUUTVGYVML-OAHLLOKOSA-N 2 0 257.381 2.572 20 0 CFADRP C[NH2+]Cc1ccc(-c2cc([C@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC001242989856 781902283 /nfs/dbraw/zinc/90/22/83/781902283.db2.gz BNVMLIIQZKBLCU-INIZCTEOSA-N 2 0 296.418 2.638 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001242996079 781910747 /nfs/dbraw/zinc/91/07/47/781910747.db2.gz TVVFXSZPEMUZCT-UHFFFAOYSA-N 2 0 299.418 2.799 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000124508278 187140886 /nfs/dbraw/zinc/14/08/86/187140886.db2.gz XKZIHNSPZNJGKW-CPUCHLNUSA-N 2 0 294.414 2.913 20 0 CFADRP CSCCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594944507 349522843 /nfs/dbraw/zinc/52/28/43/349522843.db2.gz JHNGHAJDCZLALG-UHFFFAOYSA-N 2 0 290.436 2.890 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000290108307 197598343 /nfs/dbraw/zinc/59/83/43/197598343.db2.gz IKTUTRZTKIAEJO-QLFBSQMISA-N 2 0 294.439 2.701 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000595033993 349558109 /nfs/dbraw/zinc/55/81/09/349558109.db2.gz OBHXCQBRRYRMBI-AWEZNQCLSA-N 2 0 298.471 2.676 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105845 349583063 /nfs/dbraw/zinc/58/30/63/349583063.db2.gz ZLZKAUTUBJPHHW-ZDUSSCGKSA-N 2 0 288.476 2.789 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414899028 529430869 /nfs/dbraw/zinc/43/08/69/529430869.db2.gz GPQNBPOKOMDRQH-MRXNPFEDSA-N 2 0 260.425 2.987 20 0 CFADRP CCC(CC)[N@H+](CCOC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000232853870 282184129 /nfs/dbraw/zinc/18/41/29/282184129.db2.gz WJTAGFOGLYEOCF-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423179244 529495767 /nfs/dbraw/zinc/49/57/67/529495767.db2.gz JKCDFJHXPZYYJJ-GMTAPVOTSA-N 2 0 252.324 2.695 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414828728 529567488 /nfs/dbraw/zinc/56/74/88/529567488.db2.gz MKOGMLYJJNZSNU-XYPWUTKMSA-N 2 0 274.408 2.630 20 0 CFADRP CC[C@H]([NH2+]CC1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422806426 529593120 /nfs/dbraw/zinc/59/31/20/529593120.db2.gz IHKAAZOCOYUNHK-HOTGVXAUSA-N 2 0 258.409 2.838 20 0 CFADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423328060 529594659 /nfs/dbraw/zinc/59/46/59/529594659.db2.gz RXDXVRXTYRBZJZ-ZDUSSCGKSA-N 2 0 288.313 2.845 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423251208 529605453 /nfs/dbraw/zinc/60/54/53/529605453.db2.gz RPGAWSLWKCIORT-BBRMVZONSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000414190591 529605666 /nfs/dbraw/zinc/60/56/66/529605666.db2.gz RIZGDYAWFSLYBI-ZBFHGGJFSA-N 2 0 261.413 2.854 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423238376 529605708 /nfs/dbraw/zinc/60/57/08/529605708.db2.gz ACHOKSSUHWNZBL-BBRMVZONSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000414083034 529610530 /nfs/dbraw/zinc/61/05/30/529610530.db2.gz VPPQIFIDYXNGJH-IKGGRYGDSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)[C@@H]1CCOC1 ZINC000423291856 529629289 /nfs/dbraw/zinc/62/92/89/529629289.db2.gz KEFLRXKGDULXKE-WQVCFCJDSA-N 2 0 262.397 2.611 20 0 CFADRP CC[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422895634 529618358 /nfs/dbraw/zinc/61/83/58/529618358.db2.gz WKGHBRAQODAWFN-YESZJQIVSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)c1ccccc1 ZINC000422785960 529649380 /nfs/dbraw/zinc/64/93/80/529649380.db2.gz PWHURNABEWJDQA-BBRMVZONSA-N 2 0 260.425 2.940 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000422763364 529650185 /nfs/dbraw/zinc/65/01/85/529650185.db2.gz NIPVVZUMCDSXAT-XUJVJEKNSA-N 2 0 250.386 2.862 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422950720 529656687 /nfs/dbraw/zinc/65/66/87/529656687.db2.gz WOQTXDOIUTZWCI-CABCVRRESA-N 2 0 290.407 2.641 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000422992495 282234968 /nfs/dbraw/zinc/23/49/68/282234968.db2.gz CRSUKOSANBDKDK-VNQPRFMTSA-N 2 0 270.461 2.948 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000423042406 282247438 /nfs/dbraw/zinc/24/74/38/282247438.db2.gz LBPNRGVQBOZEHU-GBOPCIDUSA-N 2 0 256.434 2.686 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126670086 187254677 /nfs/dbraw/zinc/25/46/77/187254677.db2.gz CMNFQJPXIUHWRU-MRXNPFEDSA-N 2 0 289.467 2.568 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000127780144 282248541 /nfs/dbraw/zinc/24/85/41/282248541.db2.gz PMKQVAFSZKRYJS-RBSFLKMASA-N 2 0 293.480 2.567 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000423219121 529706661 /nfs/dbraw/zinc/70/66/61/529706661.db2.gz WEPBIMOOLQDSHX-VXGBXAGGSA-N 2 0 252.427 2.961 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000358339665 282273399 /nfs/dbraw/zinc/27/33/99/282273399.db2.gz JNEXRILGUGGUTG-IMJJTQAJSA-N 2 0 270.461 2.758 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000423556831 529722138 /nfs/dbraw/zinc/72/21/38/529722138.db2.gz ZGZHRIJSYQVONR-REWJHTLYSA-N 2 0 262.397 2.881 20 0 CFADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422727667 529723587 /nfs/dbraw/zinc/72/35/87/529723587.db2.gz CZJJZQMJSBMOHR-KURKYZTESA-N 2 0 289.467 2.569 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300709689 282281732 /nfs/dbraw/zinc/28/17/32/282281732.db2.gz MDFAKODPMRZWJA-YLFCFFPRSA-N 2 0 282.472 2.684 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348065362 539347649 /nfs/dbraw/zinc/34/76/49/539347649.db2.gz QKMPVIVBJAAEDI-IAGOWNOFSA-N 2 0 288.435 2.905 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422751097 529891805 /nfs/dbraw/zinc/89/18/05/529891805.db2.gz CEOUWYRATJKULZ-SJORKVTESA-N 2 0 275.440 2.763 20 0 CFADRP O[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000128122856 187353268 /nfs/dbraw/zinc/35/32/68/187353268.db2.gz VSFGBIGEBXCKTL-OAGGEKHMSA-N 2 0 294.826 2.590 20 0 CFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1F ZINC000128229642 187358118 /nfs/dbraw/zinc/35/81/18/187358118.db2.gz DNARQDKEBVMPKR-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000423281401 290718092 /nfs/dbraw/zinc/71/80/92/290718092.db2.gz VKSLRKUVJAZTRZ-BBRMVZONSA-N 2 0 276.424 2.962 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423202244 529971375 /nfs/dbraw/zinc/97/13/75/529971375.db2.gz QKHUPOVRZMJKER-ZDUSSCGKSA-N 2 0 250.386 2.734 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000075007874 347047660 /nfs/dbraw/zinc/04/76/60/347047660.db2.gz FPVOBFMERDRKOZ-INIZCTEOSA-N 2 0 280.456 2.918 20 0 CFADRP C[NH2+]CCC[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414861618 529970907 /nfs/dbraw/zinc/97/09/07/529970907.db2.gz SHLYXNBTNBFJCG-NSHDSACASA-N 2 0 285.229 2.752 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000414861956 529971033 /nfs/dbraw/zinc/97/10/33/529971033.db2.gz UGEDCTGZFWIORD-UHFFFAOYSA-N 2 0 285.391 2.881 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414843084 529985232 /nfs/dbraw/zinc/98/52/32/529985232.db2.gz PPCBXWWVYFYCHG-LLVKDONJSA-N 2 0 292.814 2.675 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414848807 529985254 /nfs/dbraw/zinc/98/52/54/529985254.db2.gz XLWBXBDJCVYCAP-SNVBAGLBSA-N 2 0 276.302 2.530 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423285583 529985944 /nfs/dbraw/zinc/98/59/44/529985944.db2.gz ZPVBZNZFAGEMGK-GHMZBOCLSA-N 2 0 285.229 2.955 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000423285268 529986050 /nfs/dbraw/zinc/98/60/50/529986050.db2.gz ZHCMNEOGISHMJH-DYVFJYSZSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414848365 529986106 /nfs/dbraw/zinc/98/61/06/529986106.db2.gz WUTGKWMWZFPTDM-VXGBXAGGSA-N 2 0 297.830 2.502 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423280021 529986421 /nfs/dbraw/zinc/98/64/21/529986421.db2.gz UBNMZIJYAQEZOV-NXEZZACHSA-N 2 0 258.768 2.985 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000414845774 529998589 /nfs/dbraw/zinc/99/85/89/529998589.db2.gz SRFNWGGKSRUBMO-ZDUSSCGKSA-N 2 0 272.392 2.794 20 0 CFADRP C[C@@H]([NH2+]CC(C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000088455761 539404720 /nfs/dbraw/zinc/40/47/20/539404720.db2.gz JPSNAKPBMIHYFQ-GFCCVEGCSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000668299896 539416726 /nfs/dbraw/zinc/41/67/26/539416726.db2.gz WSBCTNWNMODBRQ-YOEHRIQHSA-N 2 0 282.391 2.950 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000354862927 282389620 /nfs/dbraw/zinc/38/96/20/282389620.db2.gz XKFADGUEYXHUIB-FUHWJXTLSA-N 2 0 294.483 2.591 20 0 CFADRP C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000129519718 539460949 /nfs/dbraw/zinc/46/09/49/539460949.db2.gz HPXOJWHWWKFRAE-OAHLLOKOSA-N 2 0 298.434 2.692 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCCC1 ZINC000348428116 539466352 /nfs/dbraw/zinc/46/63/52/539466352.db2.gz XVLIVIYKCFCZSN-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000105480664 232187704 /nfs/dbraw/zinc/18/77/04/232187704.db2.gz QIAFVQDXWBZMDB-RISCZKNCSA-N 2 0 297.240 2.879 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000111361847 232191717 /nfs/dbraw/zinc/19/17/17/232191717.db2.gz SQYIAJIWOBRADV-JTQLQIEISA-N 2 0 255.431 2.752 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154624324 232226441 /nfs/dbraw/zinc/22/64/41/232226441.db2.gz SCZHTHWXCDINKJ-KGLIPLIRSA-N 2 0 262.397 2.830 20 0 CFADRP C[C@@H](CCCO)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090188870 539527192 /nfs/dbraw/zinc/52/71/92/539527192.db2.gz QWEYRRYHTCGRAH-DOTOQJQBSA-N 2 0 290.451 2.790 20 0 CFADRP CC[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000032105929 346300349 /nfs/dbraw/zinc/30/03/49/346300349.db2.gz HQEINPNVALYGHP-ZDUSSCGKSA-N 2 0 250.386 2.515 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000037644239 346332575 /nfs/dbraw/zinc/33/25/75/346332575.db2.gz ZTASRPJGYWJMEZ-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP COc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000040623516 346346953 /nfs/dbraw/zinc/34/69/53/346346953.db2.gz JQQAIDZPYLGFDN-AWEZNQCLSA-N 2 0 280.387 2.654 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000130252799 539540256 /nfs/dbraw/zinc/54/02/56/539540256.db2.gz XLTIDIPLTXAUES-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)no2)CC1 ZINC000052209694 346517248 /nfs/dbraw/zinc/51/72/48/346517248.db2.gz ADKJRQVNPAXGNB-UHFFFAOYSA-N 2 0 279.428 2.927 20 0 CFADRP CC[C@@H]([NH2+]CCC1(CSC)CC1)[C@@H]1CCC[NH2+]1 ZINC000596651368 349968389 /nfs/dbraw/zinc/96/83/89/349968389.db2.gz OXCPOBMTRZIFAJ-OLZOCXBDSA-N 2 0 256.459 2.640 20 0 CFADRP CC(C)[N@H+](C)CC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077173990 347170713 /nfs/dbraw/zinc/17/07/13/347170713.db2.gz AVIVWLQZQHXDJL-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@@](C)(O)C[NH+](C)C)c1C ZINC000273307379 192106222 /nfs/dbraw/zinc/10/62/22/192106222.db2.gz HVZANLCMFVCJMP-QGZVFWFLSA-N 2 0 287.407 2.576 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[C@H]1CCOC1 ZINC000402128560 232683120 /nfs/dbraw/zinc/68/31/20/232683120.db2.gz GUZBRJHSWMIJFZ-PMPSAXMXSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090217791 347545937 /nfs/dbraw/zinc/54/59/37/347545937.db2.gz JDWPHFVSCIDFML-VQHPVUNQSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000091670359 347594804 /nfs/dbraw/zinc/59/48/04/347594804.db2.gz PWRDJEASORIQBN-DOTOQJQBSA-N 2 0 258.409 2.816 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000090220202 347546289 /nfs/dbraw/zinc/54/62/89/347546289.db2.gz XMNGPFSUXZKFEL-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090543948 347551827 /nfs/dbraw/zinc/55/18/27/347551827.db2.gz AJEKALBPDSXCCL-QBPKDAKJSA-N 2 0 280.456 2.534 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092753104 347644745 /nfs/dbraw/zinc/64/47/45/347644745.db2.gz QSPRQEKAXKTJBX-ZDUSSCGKSA-N 2 0 279.403 2.993 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000092797078 347647395 /nfs/dbraw/zinc/64/73/95/347647395.db2.gz JKTZRBOFJAQDPH-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000094009751 347689783 /nfs/dbraw/zinc/68/97/83/347689783.db2.gz GVWYCEGCFUPLOM-LBPRGKRZSA-N 2 0 266.816 2.860 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000113701085 347767935 /nfs/dbraw/zinc/76/79/35/347767935.db2.gz CRAORNXXFLFBJN-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCCCCC2)CC1 ZINC000105451408 347728744 /nfs/dbraw/zinc/72/87/44/347728744.db2.gz CHSWNNJQAUECCW-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1cc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1C(C)C ZINC000107573060 347736335 /nfs/dbraw/zinc/73/63/35/347736335.db2.gz OJMQTCDLEIWMJT-HOTGVXAUSA-N 2 0 288.435 2.648 20 0 CFADRP C[NH2+]C[C@H]1CCCN1CCCOc1ccc(Cl)cc1 ZINC000123619822 347820587 /nfs/dbraw/zinc/82/05/87/347820587.db2.gz KLCKQNAFTROAMD-CQSZACIVSA-N 2 0 282.815 2.793 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000124570135 347824857 /nfs/dbraw/zinc/82/48/57/347824857.db2.gz PJXUOFVDMGLUBS-UKRRQHHQSA-N 2 0 262.397 2.785 20 0 CFADRP CC[C@@H]([NH3+])C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000130439081 347871228 /nfs/dbraw/zinc/87/12/28/347871228.db2.gz PBJIIEFLCAOBHE-OAHLLOKOSA-N 2 0 289.423 2.724 20 0 CFADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1Cl ZINC000086585870 179309780 /nfs/dbraw/zinc/30/97/80/179309780.db2.gz IVQINSVKXWCXLH-UHFFFAOYSA-N 2 0 270.804 2.780 20 0 CFADRP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000133008349 347888290 /nfs/dbraw/zinc/88/82/90/347888290.db2.gz ZNYINBAQVDGDQJ-OLZOCXBDSA-N 2 0 276.449 2.658 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000158655407 348007711 /nfs/dbraw/zinc/00/77/11/348007711.db2.gz BHJLERGFCSBLTI-FLXSYLCISA-N 2 0 295.515 2.673 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000225339120 348176716 /nfs/dbraw/zinc/17/67/16/348176716.db2.gz QITNQDBAXZPRLQ-UHFFFAOYSA-N 2 0 273.833 2.618 20 0 CFADRP c1ccc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000215933850 348163021 /nfs/dbraw/zinc/16/30/21/348163021.db2.gz PPUVDDXPGANUJA-OAHLLOKOSA-N 2 0 258.409 2.866 20 0 CFADRP c1ccc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000215933895 348163067 /nfs/dbraw/zinc/16/30/67/348163067.db2.gz PPUVDDXPGANUJA-HNNXBMFYSA-N 2 0 258.409 2.866 20 0 CFADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000349132331 539604967 /nfs/dbraw/zinc/60/49/67/539604967.db2.gz RPMXRTFXNWSJFP-LBPRGKRZSA-N 2 0 288.420 2.744 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(F)c1 ZINC000226348763 348182144 /nfs/dbraw/zinc/18/21/44/348182144.db2.gz GAUWKEIRHCFWEV-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000564426125 290208515 /nfs/dbraw/zinc/20/85/15/290208515.db2.gz CMZFZADQTZMDNU-RYRKJORJSA-N 2 0 288.435 2.756 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C12CCC2 ZINC000250514788 348288047 /nfs/dbraw/zinc/28/80/47/348288047.db2.gz OKGHWHNVSLBWFH-OWCLPIDISA-N 2 0 280.456 2.654 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000128846490 187394588 /nfs/dbraw/zinc/39/45/88/187394588.db2.gz GTJJMSHODGPAAW-CYBMUJFWSA-N 2 0 272.314 2.937 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536798 348368915 /nfs/dbraw/zinc/36/89/15/348368915.db2.gz YLMXJWXTEVTGAO-DYVFJYSZSA-N 2 0 274.408 2.701 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000312712262 348420215 /nfs/dbraw/zinc/42/02/15/348420215.db2.gz FKVSKCLEUGNSGM-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccccc1C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000317154937 348432786 /nfs/dbraw/zinc/43/27/86/348432786.db2.gz XJHAHCXEQACWBE-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP Cc1cc(C)c([C@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000313376954 348422799 /nfs/dbraw/zinc/42/27/99/348422799.db2.gz DZBORBIXYNKPEG-JKSUJKDBSA-N 2 0 276.424 2.722 20 0 CFADRP CCOC(=O)C1CCC([NH2+][C@@H](C)CN2CCCCC2)CC1 ZINC000314261814 348425327 /nfs/dbraw/zinc/42/53/27/348425327.db2.gz WXQFKPZHTASOAY-FHERZECASA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)C1CC[NH+](C)CC1 ZINC000130668308 539643336 /nfs/dbraw/zinc/64/33/36/539643336.db2.gz PCCNKWNUSNCROX-BLLLJJGKSA-N 2 0 274.408 2.699 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000130972604 539653140 /nfs/dbraw/zinc/65/31/40/539653140.db2.gz PRDMMDAAVDUGJD-CYBMUJFWSA-N 2 0 258.365 2.864 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000090724038 539655664 /nfs/dbraw/zinc/65/56/64/539655664.db2.gz MVCQNTOYSFWEIF-CQSZACIVSA-N 2 0 276.424 2.824 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000584705539 348706927 /nfs/dbraw/zinc/70/69/27/348706927.db2.gz IHIHUKYWARYEOH-HNNXBMFYSA-N 2 0 287.451 2.734 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000397395238 539696368 /nfs/dbraw/zinc/69/63/68/539696368.db2.gz GCMLFBIBGHWHTI-HDEZJCGLSA-N 2 0 276.424 2.679 20 0 CFADRP C1=C(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000668690101 539696978 /nfs/dbraw/zinc/69/69/78/539696978.db2.gz LGPWMPUEUKDPKN-UHFFFAOYSA-N 2 0 257.381 2.750 20 0 CFADRP Cn1ccnc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590836333 348956616 /nfs/dbraw/zinc/95/66/16/348956616.db2.gz FERFQDKRDGIOHF-QGZVFWFLSA-N 2 0 298.434 2.737 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000414111025 233169618 /nfs/dbraw/zinc/16/96/18/233169618.db2.gz IRDXKSOYPHZWII-IIDMSEBBSA-N 2 0 290.451 2.804 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000591712866 349039412 /nfs/dbraw/zinc/03/94/12/349039412.db2.gz YSZFXWNMNBCBTQ-HNNXBMFYSA-N 2 0 286.423 2.773 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000127170414 539714526 /nfs/dbraw/zinc/71/45/26/539714526.db2.gz XSMIYEGYMQKKFA-VXGBXAGGSA-N 2 0 268.401 2.587 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414171172 233185845 /nfs/dbraw/zinc/18/58/45/233185845.db2.gz CSJCZFGODLBEOW-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)nc1C ZINC000414171480 233186111 /nfs/dbraw/zinc/18/61/11/233186111.db2.gz UZFSGZVOQGZYIW-GVDBMIGSSA-N 2 0 273.424 2.661 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000564822389 290236217 /nfs/dbraw/zinc/23/62/17/290236217.db2.gz KCZZKDUVZTYMLS-MRXNPFEDSA-N 2 0 278.465 2.995 20 0 CFADRP CSC1(C[NH2+]C2CCC(F)(F)CC2)CC[NH+](C)CC1 ZINC000592368077 349110235 /nfs/dbraw/zinc/11/02/35/349110235.db2.gz GPPQARPUVIIRLW-UHFFFAOYSA-N 2 0 292.439 2.981 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592470730 349126704 /nfs/dbraw/zinc/12/67/04/349126704.db2.gz FWLJAVFSCIIVKT-RBSFLKMASA-N 2 0 270.486 2.743 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000397969199 539728860 /nfs/dbraw/zinc/72/88/60/539728860.db2.gz LXUOMJHAEDEODX-GXTWGEPZSA-N 2 0 256.459 2.590 20 0 CFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@@H]1C ZINC000593645837 349302862 /nfs/dbraw/zinc/30/28/62/349302862.db2.gz KGABXOPIIVHKQA-PMPSAXMXSA-N 2 0 298.471 2.532 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739159 539741453 /nfs/dbraw/zinc/74/14/53/539741453.db2.gz JLSWSKSBBNMPRD-SZMVWBNQSA-N 2 0 292.467 2.510 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cnc(C)n2C)C1 ZINC000597026484 350017880 /nfs/dbraw/zinc/01/78/80/350017880.db2.gz IVEVYVHNMAAJGQ-GXTWGEPZSA-N 2 0 267.442 2.835 20 0 CFADRP CSC1(C[NH2+][C@H]2CCN(C(C)(C)C)C2)CCC1 ZINC000597178704 350045134 /nfs/dbraw/zinc/04/51/34/350045134.db2.gz FFJCKYLSCJSERW-LBPRGKRZSA-N 2 0 256.459 2.735 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@]2(C)C(=O)OCC)CC1 ZINC000597244198 350071050 /nfs/dbraw/zinc/07/10/50/350071050.db2.gz ZMXSHJBGNOCUJY-DOTOQJQBSA-N 2 0 296.455 2.572 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000597247896 350071827 /nfs/dbraw/zinc/07/18/27/350071827.db2.gz HYPYDPCOSHJTHH-CABCVRRESA-N 2 0 268.470 2.592 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000090721745 180031555 /nfs/dbraw/zinc/03/15/55/180031555.db2.gz BMNKZAMQZRDCKB-YPMHNXCESA-N 2 0 284.350 2.860 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](OC)c2ccccc2)CC1 ZINC000131397860 539758771 /nfs/dbraw/zinc/75/87/71/539758771.db2.gz WZPMKUKZTMKXRA-QGZVFWFLSA-N 2 0 276.424 2.838 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000091007111 180085659 /nfs/dbraw/zinc/08/56/59/180085659.db2.gz BBBVTPXRSYXIJJ-CQSZACIVSA-N 2 0 251.418 2.625 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)C ZINC000090937012 180067931 /nfs/dbraw/zinc/06/79/31/180067931.db2.gz DSILMWNZVNDNJS-CYBMUJFWSA-N 2 0 279.428 2.546 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414664951 233319269 /nfs/dbraw/zinc/31/92/69/233319269.db2.gz DBTGCHGGQSDKHP-SPUZQDLCSA-N 2 0 272.436 2.924 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414688052 233325980 /nfs/dbraw/zinc/32/59/80/233325980.db2.gz CVCTVDNYMSRLLL-INMHGKMJSA-N 2 0 273.424 2.561 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC000414704092 233333279 /nfs/dbraw/zinc/33/32/79/233333279.db2.gz KFKGYPKUWATBOV-APIJFGDWSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414696465 233330873 /nfs/dbraw/zinc/33/08/73/233330873.db2.gz HRGFDTDRPHFOQF-RVKKMQEKSA-N 2 0 272.436 2.864 20 0 CFADRP Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414753124 233342445 /nfs/dbraw/zinc/34/24/45/233342445.db2.gz LSKFBBQXMVNILU-ZIAGYGMSSA-N 2 0 264.388 2.954 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000132259426 539774426 /nfs/dbraw/zinc/77/44/26/539774426.db2.gz JSVNGSISRONZKN-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414801313 233357654 /nfs/dbraw/zinc/35/76/54/233357654.db2.gz TZFIMLRNRMYYBY-AAEUAGOBSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000414795296 233355030 /nfs/dbraw/zinc/35/50/30/233355030.db2.gz GMODAKMXDJHDMA-RISCZKNCSA-N 2 0 254.324 2.572 20 0 CFADRP c1ccc(COc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)nc1 ZINC000414797508 233355061 /nfs/dbraw/zinc/35/50/61/233355061.db2.gz YUKGZNUUSYMXRF-UHFFFAOYSA-N 2 0 297.402 2.502 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414798332 233356132 /nfs/dbraw/zinc/35/61/32/233356132.db2.gz QENBFEJFZQMUDU-ROUUACIJSA-N 2 0 281.403 2.966 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000414800455 233356353 /nfs/dbraw/zinc/35/63/53/233356353.db2.gz IDGQEOWYHARHKE-LLVKDONJSA-N 2 0 252.427 2.666 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414801317 233357200 /nfs/dbraw/zinc/35/72/00/233357200.db2.gz TZFIMLRNRMYYBY-DGCLKSJQSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414801323 233357424 /nfs/dbraw/zinc/35/74/24/233357424.db2.gz TZFIMLRNRMYYBY-WCQYABFASA-N 2 0 270.323 2.505 20 0 CFADRP c1ccc(CSCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414774150 233346896 /nfs/dbraw/zinc/34/68/96/233346896.db2.gz YHQIXVGQNIAKMP-CALCHBBNSA-N 2 0 290.476 2.851 20 0 CFADRP Fc1cc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414782710 233350082 /nfs/dbraw/zinc/35/00/82/233350082.db2.gz ORRZPBPRTJECOM-RYUDHWBXSA-N 2 0 298.352 2.925 20 0 CFADRP C[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414786057 233350349 /nfs/dbraw/zinc/35/03/49/233350349.db2.gz WMNJAGQLQIJCTA-LLVKDONJSA-N 2 0 297.240 2.722 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788553 233352325 /nfs/dbraw/zinc/35/23/25/233352325.db2.gz XATPPVAXXFGNIW-WBVHZDCISA-N 2 0 258.409 2.817 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000414790480 233352338 /nfs/dbraw/zinc/35/23/38/233352338.db2.gz GRMAQGLVIGJPSW-TZMCWYRMSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000414802654 233357942 /nfs/dbraw/zinc/35/79/42/233357942.db2.gz KZZRLTBUYCLBNJ-NSHDSACASA-N 2 0 297.830 2.692 20 0 CFADRP CCn1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000414808957 233360576 /nfs/dbraw/zinc/36/05/76/233360576.db2.gz SVQCUCFNDGSGDG-ZFWWWQNUSA-N 2 0 286.423 2.663 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414810615 233360647 /nfs/dbraw/zinc/36/06/47/233360647.db2.gz VKBIWTKSXGNLKK-YJBOKZPZSA-N 2 0 298.434 2.788 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000414809735 233361215 /nfs/dbraw/zinc/36/12/15/233361215.db2.gz MWGGBPUVIWHLEY-ZDUSSCGKSA-N 2 0 286.423 2.948 20 0 CFADRP Cc1ncccc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414809007 233361510 /nfs/dbraw/zinc/36/15/10/233361510.db2.gz LQYPJZUQVNAKJN-GFCCVEGCSA-N 2 0 255.365 2.700 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000414812220 233362510 /nfs/dbraw/zinc/36/25/10/233362510.db2.gz XGCCSYCAOWZUMG-JSGCOSHPSA-N 2 0 252.789 2.865 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000414815876 233363118 /nfs/dbraw/zinc/36/31/18/233363118.db2.gz YQSZNCJVBHVQHH-CYBMUJFWSA-N 2 0 294.402 2.883 20 0 CFADRP FC(F)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414821283 233365922 /nfs/dbraw/zinc/36/59/22/233365922.db2.gz AVHFXRPCWYQUSY-PBWFPOADSA-N 2 0 266.335 2.997 20 0 CFADRP c1ccc(CSCC[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414829081 233369710 /nfs/dbraw/zinc/36/97/10/233369710.db2.gz AKICOCOTJLCHRX-OAHLLOKOSA-N 2 0 278.465 2.899 20 0 CFADRP c1ccc(OCC2CC2)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414831188 233369947 /nfs/dbraw/zinc/36/99/47/233369947.db2.gz MTZRLWAWCFVUTD-AWEZNQCLSA-N 2 0 274.408 2.565 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000105454219 186058139 /nfs/dbraw/zinc/05/81/39/186058139.db2.gz QTAJGBVVGMTLCD-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414849082 233377093 /nfs/dbraw/zinc/37/70/93/233377093.db2.gz HDBCWGKGALLCRP-HIFRSBDPSA-N 2 0 264.388 2.736 20 0 CFADRP Fc1cccc(N2CCCC2)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835888 233372806 /nfs/dbraw/zinc/37/28/06/233372806.db2.gz SAJBGOUDJKDFTR-CQSZACIVSA-N 2 0 291.414 2.515 20 0 CFADRP c1oc2ccccc2c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414837873 233373007 /nfs/dbraw/zinc/37/30/07/233373007.db2.gz WFLJVFNCMLYANY-PBWFPOADSA-N 2 0 256.349 2.805 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414840176 233374099 /nfs/dbraw/zinc/37/40/99/233374099.db2.gz YCKNGGFDMDBFLC-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP c1cc(CCC[NH2+]CC[C@@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000414846221 233375521 /nfs/dbraw/zinc/37/55/21/233375521.db2.gz UJXMFHVENNNKAQ-INIZCTEOSA-N 2 0 288.435 2.533 20 0 CFADRP Cc1cc(Br)ccc1CN[C@@H]1CCC[NH2+]C1 ZINC000414870282 233384964 /nfs/dbraw/zinc/38/49/64/233384964.db2.gz SCFBXGZNUPXMDO-CYBMUJFWSA-N 2 0 283.213 2.599 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000414872891 233386495 /nfs/dbraw/zinc/38/64/95/233386495.db2.gz GMRXXHPKDOPVAO-HYVNUMGLSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCC3)CC2)C1 ZINC000414876978 233386893 /nfs/dbraw/zinc/38/68/93/233386893.db2.gz MCZJWTVQIVGPNS-GOEBONIOSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000414885845 233389486 /nfs/dbraw/zinc/38/94/86/233389486.db2.gz GUBLJORGMGPZCN-ARFHVFGLSA-N 2 0 262.372 2.789 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+][C@@H](C)CC[NH3+] ZINC000414890618 233390234 /nfs/dbraw/zinc/39/02/34/233390234.db2.gz UHAAXLFMDOHANT-LBPRGKRZSA-N 2 0 258.365 2.675 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000414892458 233390481 /nfs/dbraw/zinc/39/04/81/233390481.db2.gz PWRMTSUPNYZDIQ-QMTHXVAHSA-N 2 0 252.789 2.770 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897393 233391261 /nfs/dbraw/zinc/39/12/61/233391261.db2.gz DXXISPWQZZAWNP-OAHLLOKOSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc3ncccc3c2)CCC[NH2+]C1 ZINC000414897395 233391793 /nfs/dbraw/zinc/39/17/93/233391793.db2.gz DXXNYVWBYNJDES-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414898073 233392440 /nfs/dbraw/zinc/39/24/40/233392440.db2.gz FVOPWWYGTXNRRJ-OAHLLOKOSA-N 2 0 250.361 2.613 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CCCC[NH3+] ZINC000414898280 233392543 /nfs/dbraw/zinc/39/25/43/233392543.db2.gz DNGQSMOVABDXAT-LBPRGKRZSA-N 2 0 252.427 2.668 20 0 CFADRP Cc1nc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)cc2s1 ZINC000414903294 233394136 /nfs/dbraw/zinc/39/41/36/233394136.db2.gz JPUPYGCKOOEUGJ-CYBMUJFWSA-N 2 0 275.421 2.836 20 0 CFADRP C[C@]1(C[NH2+]Cc2cccc(Br)c2)CCC[NH2+]C1 ZINC000414907298 233394982 /nfs/dbraw/zinc/39/49/82/233394982.db2.gz QGRJQTJISUBEFC-AWEZNQCLSA-N 2 0 297.240 2.928 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(OCC(F)F)cc2)CCC[NH2+]C1 ZINC000414911470 233397689 /nfs/dbraw/zinc/39/76/89/233397689.db2.gz UBWRRYINFMAZQH-MRXNPFEDSA-N 2 0 298.377 2.810 20 0 CFADRP Fc1cc(F)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000414849353 233377386 /nfs/dbraw/zinc/37/73/86/233377386.db2.gz LRRBSQWSQBWQMV-JTQLQIEISA-N 2 0 272.314 2.583 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414851916 233377893 /nfs/dbraw/zinc/37/78/93/233377893.db2.gz JNOPDTXVIHWEID-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000414853084 233379441 /nfs/dbraw/zinc/37/94/41/233379441.db2.gz KRLANSQUVSXIQA-OLZOCXBDSA-N 2 0 258.365 2.911 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414853052 233379583 /nfs/dbraw/zinc/37/95/83/233379583.db2.gz KOJSJEQIQMOJOF-STQMWFEESA-N 2 0 250.361 2.612 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415017496 233437233 /nfs/dbraw/zinc/43/72/33/233437233.db2.gz SAYRFKUILNIVEZ-OAHLLOKOSA-N 2 0 286.423 2.788 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)CC1(C)C ZINC000598966418 350351178 /nfs/dbraw/zinc/35/11/78/350351178.db2.gz XBMXBHVFRKIHBN-CYBMUJFWSA-N 2 0 284.444 2.571 20 0 CFADRP CCSCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966251 350351186 /nfs/dbraw/zinc/35/11/86/350351186.db2.gz USGITUXQMHZITA-CHWSQXEVSA-N 2 0 258.475 2.981 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000598974437 350352660 /nfs/dbraw/zinc/35/26/60/350352660.db2.gz LXYWIMSNBUJEDJ-LBPRGKRZSA-N 2 0 256.459 2.735 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414998521 233429539 /nfs/dbraw/zinc/42/95/39/233429539.db2.gz IBXHSNWTBSYFNE-WFASDCNBSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000415051343 233447834 /nfs/dbraw/zinc/44/78/34/233447834.db2.gz ZFZDUBJDANQIFZ-GJZGRUSLSA-N 2 0 264.438 2.637 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415072542 233455880 /nfs/dbraw/zinc/45/58/80/233455880.db2.gz WNNJRMAOKYSZLX-AWEZNQCLSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH2+]CC1)Cc1cccs1 ZINC000415080244 233459426 /nfs/dbraw/zinc/45/94/26/233459426.db2.gz JBCUNIRLMBRVOW-LBPRGKRZSA-N 2 0 252.427 2.516 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000415026967 233441000 /nfs/dbraw/zinc/44/10/00/233441000.db2.gz AGJOIGCYXOHGJA-ZBFHGGJFSA-N 2 0 274.408 2.692 20 0 CFADRP COC(=O)CCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360166 350423279 /nfs/dbraw/zinc/42/32/79/350423279.db2.gz SPOMWRVEDKAVOW-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CCc2cccc(Cl)c2)CC[NH2+]1 ZINC000415085081 233461688 /nfs/dbraw/zinc/46/16/88/233461688.db2.gz HVOLMNLYHGQDBU-TZMCWYRMSA-N 2 0 266.816 2.860 20 0 CFADRP CC(C)[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+](C)C ZINC000599966732 350501357 /nfs/dbraw/zinc/50/13/57/350501357.db2.gz DHHYQLOGGAUICI-HNNXBMFYSA-N 2 0 286.379 2.601 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600169110 350529254 /nfs/dbraw/zinc/52/92/54/350529254.db2.gz QIMDUKRSFATZAS-ZNMIVQPWSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784485 539802780 /nfs/dbraw/zinc/80/27/80/539802780.db2.gz DKDKQWBTYPWZKM-GOEBONIOSA-N 2 0 296.480 2.722 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000109069723 186242364 /nfs/dbraw/zinc/24/23/64/186242364.db2.gz ABOBNAIDXXTLJI-SWLSCSKDSA-N 2 0 250.361 2.564 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](CCCCCn2cccn2)CC1 ZINC000108369123 186214594 /nfs/dbraw/zinc/21/45/94/186214594.db2.gz FMHXFEPWAVCIGH-UHFFFAOYSA-N 2 0 278.444 2.516 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000110648574 186310186 /nfs/dbraw/zinc/31/01/86/186310186.db2.gz POTWEEFVXOFKQG-ZDUSSCGKSA-N 2 0 285.391 2.901 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000608067449 351394402 /nfs/dbraw/zinc/39/44/02/351394402.db2.gz CLNWNDSEWKLKIZ-ZBFHGGJFSA-N 2 0 276.424 2.824 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccs1 ZINC000120902154 186934580 /nfs/dbraw/zinc/93/45/80/186934580.db2.gz QTUVDNJNBZRBDS-CABCVRRESA-N 2 0 295.496 2.672 20 0 CFADRP CCCCOCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123345120 187085850 /nfs/dbraw/zinc/08/58/50/187085850.db2.gz XBWUGUOQZNBFKF-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000123596927 187100764 /nfs/dbraw/zinc/10/07/64/187100764.db2.gz DVLGEMAYFQQRAA-ABAIWWIYSA-N 2 0 258.365 2.910 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123645542 187102744 /nfs/dbraw/zinc/10/27/44/187102744.db2.gz DHQJVGXUOULVAD-IIDMSEBBSA-N 3 0 289.467 2.567 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2cn1 ZINC000232484929 539844013 /nfs/dbraw/zinc/84/40/13/539844013.db2.gz WNEIBWOCPBFCRQ-QZTJIDSGSA-N 2 0 281.403 2.951 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CCC[NH+]1CCCC1 ZINC000135425156 539857155 /nfs/dbraw/zinc/85/71/55/539857155.db2.gz CNWLFIIFLYFPCL-OAHLLOKOSA-N 2 0 274.408 2.628 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292053791 198147692 /nfs/dbraw/zinc/14/76/92/198147692.db2.gz BTWRIZUWJGYYGY-QGZVFWFLSA-N 2 0 258.409 2.777 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000292147963 198180827 /nfs/dbraw/zinc/18/08/27/198180827.db2.gz NFGINBAOFSFVMW-GOSISDBHSA-N 2 0 281.403 2.762 20 0 CFADRP Cc1ccccc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000094182858 539926056 /nfs/dbraw/zinc/92/60/56/539926056.db2.gz DHZAAEXQNGHMIT-OAHLLOKOSA-N 2 0 260.425 2.857 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000292196121 198198677 /nfs/dbraw/zinc/19/86/77/198198677.db2.gz RXMLFDCRMODWAA-QGZVFWFLSA-N 2 0 258.409 2.831 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292196082 198198907 /nfs/dbraw/zinc/19/89/07/198198907.db2.gz RXEKUMVJMBJOII-QGZVFWFLSA-N 2 0 258.409 2.831 20 0 CFADRP COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152698174 188036563 /nfs/dbraw/zinc/03/65/63/188036563.db2.gz YLWOOKYCKHBWLK-CABCVRRESA-N 2 0 294.439 2.703 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000422701097 295855210 /nfs/dbraw/zinc/85/52/10/295855210.db2.gz BHJOTRQIODFXQY-WMLDXEAASA-N 2 0 269.392 2.888 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422751935 295854848 /nfs/dbraw/zinc/85/48/48/295854848.db2.gz DHRYGYHNBIRJME-SWLSCSKDSA-N 2 0 283.847 2.660 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccccc1 ZINC000153742127 188100449 /nfs/dbraw/zinc/10/04/49/188100449.db2.gz BAOHGOUCFZQARW-MRXNPFEDSA-N 2 0 264.413 2.696 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccs2)CC1 ZINC000154480676 188145230 /nfs/dbraw/zinc/14/52/30/188145230.db2.gz UFKDMSGBEPWSNG-OAHLLOKOSA-N 2 0 295.496 2.816 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000154216333 188130356 /nfs/dbraw/zinc/13/03/56/188130356.db2.gz MGEMELMJEHCQCG-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000566230204 290360687 /nfs/dbraw/zinc/36/06/87/290360687.db2.gz RBJFOAPCQIURCZ-GHMZBOCLSA-N 2 0 272.339 2.546 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000234254082 539986901 /nfs/dbraw/zinc/98/69/01/539986901.db2.gz UIZZNCVEXYQBRG-UHFFFAOYSA-N 2 0 271.408 2.912 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000155021021 188176913 /nfs/dbraw/zinc/17/69/13/188176913.db2.gz DFESAYGSCCBASU-KBPBESRZSA-N 2 0 295.858 2.627 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCn1ccnc1)CCS2 ZINC000155629941 188217557 /nfs/dbraw/zinc/21/75/57/188217557.db2.gz FUWKHBONQICIHW-ZDUSSCGKSA-N 2 0 277.368 2.849 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000234347311 539987491 /nfs/dbraw/zinc/98/74/91/539987491.db2.gz GADYIWSHDVKLEQ-OAHLLOKOSA-N 2 0 269.392 2.666 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000234769014 539990776 /nfs/dbraw/zinc/99/07/76/539990776.db2.gz BOAPDQCMXZMKSO-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000234837458 539995139 /nfs/dbraw/zinc/99/51/39/539995139.db2.gz LGRAQOYUJXIKDC-OCCSQVGLSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCCC[NH+](C)C ZINC000157477465 188320177 /nfs/dbraw/zinc/32/01/77/188320177.db2.gz HPPCOKKRQRRWFL-CYBMUJFWSA-N 2 0 252.377 2.688 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000235719191 540002676 /nfs/dbraw/zinc/00/26/76/540002676.db2.gz JGPFWYIYDOURQD-SUMWQHHRSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccn1 ZINC000158558865 188382324 /nfs/dbraw/zinc/38/23/24/188382324.db2.gz DKVSVIOXFSBBSJ-CQSZACIVSA-N 2 0 269.392 2.994 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000622043562 353468413 /nfs/dbraw/zinc/46/84/13/353468413.db2.gz DKJCXZQTSWUIAL-RFQIPJPRSA-N 2 0 272.383 2.932 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)c2ccccc21 ZINC000622044057 353468751 /nfs/dbraw/zinc/46/87/51/353468751.db2.gz SSJXCPSHEWFVAG-ZWKOPEQDSA-N 2 0 252.308 2.766 20 0 CFADRP CN(CCC[NH2+]Cc1cccc(C2CC2)c1)CC[NH+](C)C ZINC000623087561 353585597 /nfs/dbraw/zinc/58/55/97/353585597.db2.gz YMERVVWNIWYYCR-UHFFFAOYSA-N 2 0 289.467 2.537 20 0 CFADRP Cc1ccc(C[NH2+]CCCN(C)CC[NH+](C)C)c(Cl)c1 ZINC000623087402 353586116 /nfs/dbraw/zinc/58/61/16/353586116.db2.gz PNGXKRMAKZDAOO-UHFFFAOYSA-N 2 0 297.874 2.622 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623403317 353635437 /nfs/dbraw/zinc/63/54/37/353635437.db2.gz RMIDSPPOKYLTOE-HIFRSBDPSA-N 2 0 276.424 2.786 20 0 CFADRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1Cl ZINC000623404353 353635847 /nfs/dbraw/zinc/63/58/47/353635847.db2.gz YKSGHSOSXAEDTL-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623403319 353635988 /nfs/dbraw/zinc/63/59/88/353635988.db2.gz RMIDSPPOKYLTOE-ZFWWWQNUSA-N 2 0 276.424 2.786 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)CC1(C)C ZINC000623416551 353637894 /nfs/dbraw/zinc/63/78/94/353637894.db2.gz ZAAWIUFACKRZTN-ZDUSSCGKSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623425161 353640568 /nfs/dbraw/zinc/64/05/68/353640568.db2.gz SRNJPGKZJQCYCD-YONAWACDSA-N 2 0 294.483 2.900 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1(C)C ZINC000623431108 353642403 /nfs/dbraw/zinc/64/24/03/353642403.db2.gz TVLVWSHHNHJZLE-YJNKXOJESA-N 2 0 280.456 2.652 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623437652 353644863 /nfs/dbraw/zinc/64/48/63/353644863.db2.gz RXWPNQWWZXPFJP-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623437653 353645003 /nfs/dbraw/zinc/64/50/03/353645003.db2.gz RXWPNQWWZXPFJP-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623441404 353645655 /nfs/dbraw/zinc/64/56/55/353645655.db2.gz RSDVAYAHGYKDDR-SHARSMKWSA-N 2 0 268.445 2.654 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623447993 353647384 /nfs/dbraw/zinc/64/73/84/353647384.db2.gz JKHVBYMWCIEMNN-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623341738 353619187 /nfs/dbraw/zinc/61/91/87/353619187.db2.gz PMJCEEXSHOHMEA-HZPDHXFCSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCCCO2)CC1(C)C ZINC000623493177 353656642 /nfs/dbraw/zinc/65/66/42/353656642.db2.gz XPYIFPMWFBAWDN-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC1(C)C ZINC000623494392 353656698 /nfs/dbraw/zinc/65/66/98/353656698.db2.gz OSUUPCXDYOFULT-ZOBUZTSGSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)CC1(C)C ZINC000623523909 353662442 /nfs/dbraw/zinc/66/24/42/353662442.db2.gz ULACIJSUQXFJAT-OAHLLOKOSA-N 2 0 287.451 2.966 20 0 CFADRP CCc1nc(C)c(CN[C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623531173 353664945 /nfs/dbraw/zinc/66/49/45/353664945.db2.gz LIVDUVCNSMKCET-LBPRGKRZSA-N 2 0 265.401 2.508 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)CC1(C)C ZINC000623534135 353666206 /nfs/dbraw/zinc/66/62/06/353666206.db2.gz ZEPQXCOWQCVYCM-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623536729 353666846 /nfs/dbraw/zinc/66/68/46/353666846.db2.gz ACBUNGCBXOBDEC-MELADBBJSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccn2)CC1(C)C ZINC000623536357 353666925 /nfs/dbraw/zinc/66/69/25/353666925.db2.gz TTZCBJGMTCWYOK-CQSZACIVSA-N 2 0 275.440 2.822 20 0 CFADRP Cc1cc(C)c(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623542437 353668576 /nfs/dbraw/zinc/66/85/76/353668576.db2.gz ANSWSLQQPSAMMA-HNNXBMFYSA-N 2 0 261.413 2.661 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)CC1(C)C ZINC000623559438 353671824 /nfs/dbraw/zinc/67/18/24/353671824.db2.gz ASGUTMHXFYEIIC-JKSUJKDBSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623562519 353672545 /nfs/dbraw/zinc/67/25/45/353672545.db2.gz USWBBUZXXCJQNO-KBPBESRZSA-N 2 0 261.413 2.648 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562911 353672784 /nfs/dbraw/zinc/67/27/84/353672784.db2.gz HJCSXPNVPHAYAN-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc(C)cc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656034 353696679 /nfs/dbraw/zinc/69/66/79/353696679.db2.gz LKOYGMOHEHYFTD-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP Cn1ncc(C2CCC2)c1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623571725 353675311 /nfs/dbraw/zinc/67/53/11/353675311.db2.gz GGZGDUZEIFNMSI-AWEZNQCLSA-N 2 0 290.455 2.650 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1(C)C ZINC000623573108 353675368 /nfs/dbraw/zinc/67/53/68/353675368.db2.gz XZPZVJGTPVXLJI-MNOVXSKESA-N 2 0 260.372 2.740 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cnn(-c3ccccc3)c2)C1 ZINC000623655688 353696841 /nfs/dbraw/zinc/69/68/41/353696841.db2.gz BWZUCBRWJYBNPO-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000623654580 353695486 /nfs/dbraw/zinc/69/54/86/353695486.db2.gz CWDPEKFBRPZSBZ-CQSZACIVSA-N 2 0 250.361 2.647 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000623655111 353695928 /nfs/dbraw/zinc/69/59/28/353695928.db2.gz OOLHXXAWJJAQNZ-CQSZACIVSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623491249 353656188 /nfs/dbraw/zinc/65/61/88/353656188.db2.gz LAGHHZQZKJOILC-RYUDHWBXSA-N 2 0 267.442 2.709 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000623657524 353697763 /nfs/dbraw/zinc/69/77/63/353697763.db2.gz SUWPSCZEPKODJK-CVEARBPZSA-N 2 0 288.435 2.874 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657672 353697826 /nfs/dbraw/zinc/69/78/26/353697826.db2.gz WJUWHSPFDHTLQH-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000623657418 353697979 /nfs/dbraw/zinc/69/79/79/353697979.db2.gz QEMGHPQDWANEHZ-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000623657340 353698415 /nfs/dbraw/zinc/69/84/15/353698415.db2.gz OGJJCBWDQQBUPZ-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C/C=C\C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000623739041 353714943 /nfs/dbraw/zinc/71/49/43/353714943.db2.gz GKYBRSUFHPRUSK-PLNGDYQASA-N 2 0 287.451 2.883 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623887897 353749990 /nfs/dbraw/zinc/74/99/90/353749990.db2.gz QNIHOYYSIIRPEL-CYBMUJFWSA-N 2 0 279.453 2.842 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000623899625 353753427 /nfs/dbraw/zinc/75/34/27/353753427.db2.gz NXTJJKQRIWCPNG-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC000623959484 353769721 /nfs/dbraw/zinc/76/97/21/353769721.db2.gz RSMFTQWRXXYMLI-JYJNAYRXSA-N 2 0 268.445 2.798 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3scnc32)CC1 ZINC000624002722 353780928 /nfs/dbraw/zinc/78/09/28/353780928.db2.gz CMMLSOLBOKFDGX-BPCQOVAHSA-N 2 0 279.453 2.983 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623857644 353741752 /nfs/dbraw/zinc/74/17/52/353741752.db2.gz SSRSOACOJDZKCT-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624078055 353799752 /nfs/dbraw/zinc/79/97/52/353799752.db2.gz NRLYHQRXWPMVEO-ZFWWWQNUSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1csc([C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000624122927 353811766 /nfs/dbraw/zinc/81/17/66/353811766.db2.gz BHDJPWHJQGOKIG-CHWSQXEVSA-N 2 0 267.442 2.834 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000624123368 353812608 /nfs/dbraw/zinc/81/26/08/353812608.db2.gz KTOLNNORRZULHU-GJZGRUSLSA-N 2 0 297.446 2.957 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000624123122 353812897 /nfs/dbraw/zinc/81/28/97/353812897.db2.gz GCOGHMJQTDGVLG-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000624123374 353813140 /nfs/dbraw/zinc/81/31/40/353813140.db2.gz KXGUIKPMYYBRAW-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP CCSc1ccccc1[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228323 353841451 /nfs/dbraw/zinc/84/14/51/353841451.db2.gz OOARDJJOMIQLQH-UONOGXRCSA-N 2 0 294.464 2.516 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000624200394 353833212 /nfs/dbraw/zinc/83/32/12/353833212.db2.gz KFHWEJHLDKBYCY-FQMQPWHVSA-N 2 0 262.441 2.885 20 0 CFADRP CC(C)(C)C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1 ZINC000624229206 353841789 /nfs/dbraw/zinc/84/17/89/353841789.db2.gz PNFWWOZPBZGLSX-IAGOWNOFSA-N 2 0 290.451 2.820 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000624032938 353789865 /nfs/dbraw/zinc/78/98/65/353789865.db2.gz KRVDCRIENTYPKJ-QGBVMSHASA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000161136832 188510556 /nfs/dbraw/zinc/51/05/56/188510556.db2.gz HLDMSCNILUGFER-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)C1CC[NH+](C)CC1 ZINC000624313902 353860317 /nfs/dbraw/zinc/86/03/17/353860317.db2.gz XWQOCNOSPHUZHE-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP CCO[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000625081649 353974950 /nfs/dbraw/zinc/97/49/50/353974950.db2.gz COUQVQFNEVTMGA-QGZVFWFLSA-N 2 0 280.456 2.609 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000625179022 353989056 /nfs/dbraw/zinc/98/90/56/353989056.db2.gz PLWOGZIQLTZQCR-SJORKVTESA-N 2 0 280.456 2.752 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](OCC)C2CC2)CC1 ZINC000625207456 353995087 /nfs/dbraw/zinc/99/50/87/353995087.db2.gz KLEDXAQSCNUMQK-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000625252724 354004808 /nfs/dbraw/zinc/00/48/08/354004808.db2.gz IYAJKXHZEPEIEE-ROUUACIJSA-N 2 0 295.515 2.915 20 0 CFADRP C(=C\c1ccccc1)\CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625434739 354044462 /nfs/dbraw/zinc/04/44/62/354044462.db2.gz GTOZJZVRYMDNQY-YWEYNIOJSA-N 2 0 253.349 2.871 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@]1(C)CCCS1 ZINC000628140146 354444368 /nfs/dbraw/zinc/44/43/68/354444368.db2.gz BGHBOTXSTLBFAV-ZIAGYGMSSA-N 2 0 256.459 2.546 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000628202709 354475513 /nfs/dbraw/zinc/47/55/13/354475513.db2.gz DXBKDYFFWSUMPK-ZDUSSCGKSA-N 2 0 265.401 2.585 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000628203289 354475607 /nfs/dbraw/zinc/47/56/07/354475607.db2.gz BIUSFNFRFCWFIJ-IAGOWNOFSA-N 2 0 282.472 2.905 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000628202924 354475682 /nfs/dbraw/zinc/47/56/82/354475682.db2.gz MVBIGBPJTOHZMH-KBPBESRZSA-N 2 0 279.428 2.831 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000628202926 354475704 /nfs/dbraw/zinc/47/57/04/354475704.db2.gz MVBIGBPJTOHZMH-ZIAGYGMSSA-N 2 0 279.428 2.831 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628208468 354476928 /nfs/dbraw/zinc/47/69/28/354476928.db2.gz ONDSUZJJAJBHQU-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628221012 354483801 /nfs/dbraw/zinc/48/38/01/354483801.db2.gz RFFHDKIRNDHUHI-UHFFFAOYSA-N 2 0 277.412 2.764 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628425225 354586057 /nfs/dbraw/zinc/58/60/57/354586057.db2.gz DZQKROOQNIKMOO-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cccc(Cl)c1F ZINC000629529775 354832910 /nfs/dbraw/zinc/83/29/10/354832910.db2.gz MPOYOBYWQUFNNA-ZDUSSCGKSA-N 2 0 288.794 2.756 20 0 CFADRP CCC[C@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629387074 354799123 /nfs/dbraw/zinc/79/91/23/354799123.db2.gz BLPOLFMDJBRMHL-MRXNPFEDSA-N 2 0 276.424 2.668 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000629390322 354800168 /nfs/dbraw/zinc/80/01/68/354800168.db2.gz OCYMGNSGGOXQJZ-LAVFITLUSA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389493 354800259 /nfs/dbraw/zinc/80/02/59/354800259.db2.gz YUMPXBHIMJPTOH-CABCVRRESA-N 2 0 268.445 2.689 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000629391562 354801040 /nfs/dbraw/zinc/80/10/40/354801040.db2.gz AIPMSPHGYCKSDO-HNNXBMFYSA-N 2 0 278.440 2.568 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000629392971 354801512 /nfs/dbraw/zinc/80/15/12/354801512.db2.gz WYARGCWQYNZVHL-SJORKVTESA-N 2 0 276.424 2.538 20 0 CFADRP C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C[NH2+]1 ZINC000629397099 354802603 /nfs/dbraw/zinc/80/26/03/354802603.db2.gz SNOPMCMUAMMJOS-XYVMCAHJSA-N 2 0 293.499 2.760 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000629530748 354833686 /nfs/dbraw/zinc/83/36/86/354833686.db2.gz PYDPIKFGFZSTTQ-INIZCTEOSA-N 2 0 261.413 2.684 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000629530674 354833951 /nfs/dbraw/zinc/83/39/51/354833951.db2.gz NFZJNKYQETVBMF-ZDUSSCGKSA-N 2 0 276.380 2.628 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629517355 354825757 /nfs/dbraw/zinc/82/57/57/354825757.db2.gz MWCLWNQXFBHZOR-QWRGUYRKSA-N 2 0 264.335 2.982 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)c2sccc21 ZINC000629520665 354827856 /nfs/dbraw/zinc/82/78/56/354827856.db2.gz LVFCRCZWLAIWFO-AAEUAGOBSA-N 2 0 280.437 2.784 20 0 CFADRP CCO[C@H](C[N@H+](CCC[NH3+])Cc1ccccc1)C1CC1 ZINC000629529058 354832716 /nfs/dbraw/zinc/83/27/16/354832716.db2.gz QPICQYACGZXCQA-QGZVFWFLSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]C[C@H]1CN(Cc2cccs2)CC[C@H]1C(F)(F)F ZINC000629656997 354879548 /nfs/dbraw/zinc/87/95/48/354879548.db2.gz SHUJZPWABSMXAQ-GXSJLCMTSA-N 2 0 278.343 2.707 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000629648146 354875274 /nfs/dbraw/zinc/87/52/74/354875274.db2.gz PUSHWLFFHXYALL-ZDUSSCGKSA-N 2 0 255.365 2.700 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629535621 354835543 /nfs/dbraw/zinc/83/55/43/354835543.db2.gz CZDKHXMHDBKIBL-CABCVRRESA-N 2 0 256.434 2.546 20 0 CFADRP CCc1ccc([C@@H]([NH2+]CCOCCC[NH3+])C(C)C)cc1 ZINC000629536365 354836025 /nfs/dbraw/zinc/83/60/25/354836025.db2.gz GUQFRVNERIVFPW-KRWDZBQOSA-N 2 0 278.440 2.901 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629537588 354836992 /nfs/dbraw/zinc/83/69/92/354836992.db2.gz KGIRTHGQQVXGDU-IAGOWNOFSA-N 2 0 276.424 2.826 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c2ccccc21 ZINC000629538694 354837577 /nfs/dbraw/zinc/83/75/77/354837577.db2.gz OMFFTBQYDBSVNN-CYBMUJFWSA-N 2 0 290.382 2.995 20 0 CFADRP CC(C)[C@@H]([NH2+]CCOCCC[NH3+])c1cc(F)ccc1F ZINC000629538648 354837687 /nfs/dbraw/zinc/83/76/87/354837687.db2.gz NZLIMKCSOLVVNY-OAHLLOKOSA-N 2 0 286.366 2.617 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000629654452 354878108 /nfs/dbraw/zinc/87/81/08/354878108.db2.gz RBNPRDFSJVMGRI-QZTJIDSGSA-N 2 0 290.451 2.665 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOCCC[NH3+])C[C@H]1c1ccccc1 ZINC000629540564 354838843 /nfs/dbraw/zinc/83/88/43/354838843.db2.gz VWRPCVOXLMZXGC-JKSUJKDBSA-N 2 0 276.424 2.524 20 0 CFADRP COC1(C[N@H+](CCC[NH3+])CC2CCCC2)CCCC1 ZINC000629653498 354878236 /nfs/dbraw/zinc/87/82/36/354878236.db2.gz JRMWRWAYWOFGOG-UHFFFAOYSA-N 2 0 268.445 2.787 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)CO2 ZINC000629652879 354878334 /nfs/dbraw/zinc/87/83/34/354878334.db2.gz FEGGPBNYFFNHLN-ZWKOTPCHSA-N 2 0 298.430 2.784 20 0 CFADRP Fc1ccc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629550594 354844458 /nfs/dbraw/zinc/84/44/58/354844458.db2.gz OSAKERHMOVUUMT-GXTWGEPZSA-N 2 0 280.362 2.754 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551938 354845904 /nfs/dbraw/zinc/84/59/04/354845904.db2.gz YBANZKNWODAYKA-ZJUUUORDSA-N 2 0 278.343 2.984 20 0 CFADRP Clc1ccc([C@H]2CC[C@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629552996 354846157 /nfs/dbraw/zinc/84/61/57/354846157.db2.gz DRJAATRKXJZAGZ-AEGPPILISA-N 2 0 264.800 2.928 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000629566842 354848619 /nfs/dbraw/zinc/84/86/19/354848619.db2.gz IRZOFIVZPOXARV-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP CC(C)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629573177 354849030 /nfs/dbraw/zinc/84/90/30/354849030.db2.gz CSMAHCBLRLXTMH-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CCOCC[NH2+]C ZINC000629571781 354849074 /nfs/dbraw/zinc/84/90/74/354849074.db2.gz QLGCPSARTIOMNW-HNNXBMFYSA-N 2 0 286.366 2.584 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000629567349 354849391 /nfs/dbraw/zinc/84/93/91/354849391.db2.gz DCQLDGZEBWRLJN-UHFFFAOYSA-N 2 0 272.392 2.508 20 0 CFADRP C[N@H+](CCOCC[NH3+])C1c2ccccc2-c2ccccc21 ZINC000629578963 354850261 /nfs/dbraw/zinc/85/02/61/354850261.db2.gz YCWARIZOVUZWRX-UHFFFAOYSA-N 2 0 282.387 2.664 20 0 CFADRP C(CC1CCC1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591750 354853423 /nfs/dbraw/zinc/85/34/23/354853423.db2.gz MQEIKCWORBWXSK-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)Cc1cc(-c2nc3c(s2)C[NH2+]CC3)ccc1F ZINC000629737890 354916622 /nfs/dbraw/zinc/91/66/22/354916622.db2.gz BRVSFURJLUWUIP-UHFFFAOYSA-N 2 0 291.395 2.657 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246287620 540048622 /nfs/dbraw/zinc/04/86/22/540048622.db2.gz CAHWBHYTFMQOMQ-GOEBONIOSA-N 2 0 276.424 2.700 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000333276291 540072472 /nfs/dbraw/zinc/07/24/72/540072472.db2.gz LMSXYCHKZUKKCO-DVOMOZLQSA-N 2 0 259.397 2.793 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000178261167 540088609 /nfs/dbraw/zinc/08/86/09/540088609.db2.gz YJVOFKHQAUTEJQ-SJKOYZFVSA-N 2 0 295.386 2.532 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC000178315199 540089220 /nfs/dbraw/zinc/08/92/20/540089220.db2.gz VHBPUHJZQSGRRE-DEORAPPZSA-N 2 0 292.467 2.939 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000271839252 191358486 /nfs/dbraw/zinc/35/84/86/191358486.db2.gz GLFJTSUZLZTOCF-QGZVFWFLSA-N 2 0 256.393 2.989 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C(C)C ZINC000667895758 540126137 /nfs/dbraw/zinc/12/61/37/540126137.db2.gz ACHLYSTULFGCKG-JKSUJKDBSA-N 2 0 268.445 2.652 20 0 CFADRP CSc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271877028 191384417 /nfs/dbraw/zinc/38/44/17/191384417.db2.gz ZPXLXMPAUPEMIW-UHFFFAOYSA-N 2 0 262.422 2.760 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042290 355260997 /nfs/dbraw/zinc/26/09/97/355260997.db2.gz IJAPJICUTDJRHW-GASCZTMLSA-N 2 0 291.439 2.635 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000271854814 191370697 /nfs/dbraw/zinc/37/06/97/191370697.db2.gz HXKZIMCTEOGIRA-UHFFFAOYSA-N 2 0 256.802 2.753 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000631158595 355321087 /nfs/dbraw/zinc/32/10/87/355321087.db2.gz XYWPQZPSGOBUAQ-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H](CC[NH2+]Cc1ccc(=O)[nH]c1)[N@H+](C)Cc1ccccc1 ZINC000631084203 355283777 /nfs/dbraw/zinc/28/37/77/355283777.db2.gz XPTJGKLMPGKPKA-OAHLLOKOSA-N 2 0 299.418 2.787 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1(C)C ZINC000631253181 355375688 /nfs/dbraw/zinc/37/56/88/355375688.db2.gz FBPUBBXBJLBUJR-ARFHVFGLSA-N 2 0 280.456 2.797 20 0 CFADRP CCC[C@@H](CCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000631197899 355345117 /nfs/dbraw/zinc/34/51/17/355345117.db2.gz FXEVERDKRXEOAQ-HNNXBMFYSA-N 2 0 282.472 2.924 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000631228300 355362751 /nfs/dbraw/zinc/36/27/51/355362751.db2.gz XNKNHCLCTUSRDM-NVXWUHKLSA-N 2 0 282.391 2.998 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCc2ncccc21)C[NH+]1CCCC1 ZINC000631570430 355493099 /nfs/dbraw/zinc/49/30/99/355493099.db2.gz VJKGTHHWKMMVAW-YOEHRIQHSA-N 2 0 273.424 2.781 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631570271 355493261 /nfs/dbraw/zinc/49/32/61/355493261.db2.gz RVMLZILTTDWMNY-MPGHIAIKSA-N 2 0 286.419 2.899 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000631565408 355490108 /nfs/dbraw/zinc/49/01/08/355490108.db2.gz FPNUVCWOOVWYEB-CXAGYDPISA-N 2 0 271.408 2.533 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631650980 355533122 /nfs/dbraw/zinc/53/31/22/355533122.db2.gz GZNRAPBLZNZJQR-YOEHRIQHSA-N 2 0 273.424 2.781 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCSC(C)(C)C)C2)C1 ZINC000368318679 283107103 /nfs/dbraw/zinc/10/71/03/283107103.db2.gz SRXPFJKFIGSBMF-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631617698 355516409 /nfs/dbraw/zinc/51/64/09/355516409.db2.gz VPZUHVWPHSWNNR-JYJNAYRXSA-N 2 0 292.467 2.656 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000631643894 355529042 /nfs/dbraw/zinc/52/90/42/355529042.db2.gz JABKEFRLVMMZGC-QEORTHHSSA-N 2 0 274.408 2.612 20 0 CFADRP c1ccc(SCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887390 355614952 /nfs/dbraw/zinc/61/49/52/355614952.db2.gz NFHGFANXHBKRCK-GDBMZVCRSA-N 2 0 276.449 2.853 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(C)n1 ZINC000631826622 355596924 /nfs/dbraw/zinc/59/69/24/355596924.db2.gz SDVGRABVVFURDZ-OAHLLOKOSA-N 2 0 261.413 2.710 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)[C@@H]1CCC[NH3+] ZINC000631828968 355597340 /nfs/dbraw/zinc/59/73/40/355597340.db2.gz CTEBQORJVZMPQT-TZMCWYRMSA-N 2 0 292.427 2.677 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000631827709 355597490 /nfs/dbraw/zinc/59/74/90/355597490.db2.gz UWZWKKVIAUQERP-MELADBBJSA-N 2 0 272.383 2.743 20 0 CFADRP COc1cccc(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000631835722 355600113 /nfs/dbraw/zinc/60/01/13/355600113.db2.gz FAQZSESUTRDKEJ-QGZVFWFLSA-N 2 0 288.435 2.559 20 0 CFADRP Fc1ccccc1OC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000631836482 355600279 /nfs/dbraw/zinc/60/02/79/355600279.db2.gz ZZQPQKSHEZCSFB-UHFFFAOYSA-N 2 0 292.398 2.669 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840527 355603044 /nfs/dbraw/zinc/60/30/44/355603044.db2.gz SYTUZBMIRYQPOU-UXIGCNINSA-N 2 0 250.361 2.803 20 0 CFADRP Fc1cccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890649 355616132 /nfs/dbraw/zinc/61/61/32/355616132.db2.gz RAGSWHWGXOCNJI-RDJZCZTQSA-N 2 0 276.399 2.832 20 0 CFADRP CCC(CC)(CC)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000679839074 540176803 /nfs/dbraw/zinc/17/68/03/540176803.db2.gz GCKLMLSKUWYWTC-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3O)CC2)C1 ZINC000631740831 355571722 /nfs/dbraw/zinc/57/17/22/355571722.db2.gz JQTZTLLLQUFHSU-SIXLDLHFSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888630 355614476 /nfs/dbraw/zinc/61/44/76/355614476.db2.gz YDKLCTUHSCHSJQ-NCOADZHNSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166548215 540193540 /nfs/dbraw/zinc/19/35/40/540193540.db2.gz OBWCZDMJYRCHPW-ZIAGYGMSSA-N 2 0 279.453 2.519 20 0 CFADRP CC(C)(C(=O)Nc1cccc(C[NH3+])c1)[C@@H]([NH3+])c1ccccc1 ZINC000669508374 540211911 /nfs/dbraw/zinc/21/19/11/540211911.db2.gz PQQFEYZOQXIIHC-INIZCTEOSA-N 2 0 297.402 2.810 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](CC[NH+](C)C)OCC)c1cccnc1 ZINC000273575680 192211559 /nfs/dbraw/zinc/21/15/59/192211559.db2.gz LSYIOCQTVCTOIT-IAGOWNOFSA-N 2 0 293.455 2.869 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000336335841 283169985 /nfs/dbraw/zinc/16/99/85/283169985.db2.gz JKSHQDFEONSBFW-SJORKVTESA-N 2 0 292.467 2.896 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)ccc2n1 ZINC000334847370 540254136 /nfs/dbraw/zinc/25/41/36/540254136.db2.gz MEICZPFTIILQJO-HZPDHXFCSA-N 2 0 269.392 2.903 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c(F)c1 ZINC000568007277 290514311 /nfs/dbraw/zinc/51/43/11/290514311.db2.gz FPMBUZJGHJMRIJ-UHFFFAOYSA-N 2 0 274.339 2.583 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2SCCc3ccccc32)C1 ZINC000568247820 290539644 /nfs/dbraw/zinc/53/96/44/290539644.db2.gz YENZWRLZHNRWCE-IJEWVQPXSA-N 2 0 276.449 2.877 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000333332527 283263558 /nfs/dbraw/zinc/26/35/58/283263558.db2.gz WMGBELUVMSNPHE-RRFJBIMHSA-N 2 0 293.455 2.982 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000569083181 290585625 /nfs/dbraw/zinc/58/56/25/290585625.db2.gz WPHHLXUKZWGHBT-CQSZACIVSA-N 2 0 284.407 2.556 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073766 540281602 /nfs/dbraw/zinc/28/16/02/540281602.db2.gz FBVYCNUBNPXIKL-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339074102 540281869 /nfs/dbraw/zinc/28/18/69/540281869.db2.gz JDNJSXYKYGBBSR-IRXDYDNUSA-N 2 0 281.488 2.712 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339077184 540282983 /nfs/dbraw/zinc/28/29/83/540282983.db2.gz ZQKDRFWHMKRVKU-IRXDYDNUSA-N 2 0 288.435 2.899 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1cccc(F)c1 ZINC000339075572 540283152 /nfs/dbraw/zinc/28/31/52/540283152.db2.gz PJYGAJZIYNIPCN-BMFZPTHFSA-N 2 0 292.398 2.809 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000234100985 540308214 /nfs/dbraw/zinc/30/82/14/540308214.db2.gz RSIFUUNBWIGGDF-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C(CC[NH+]1C[C@@H]2C[C@H]1CS2)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792824 540319754 /nfs/dbraw/zinc/31/97/54/540319754.db2.gz JXBLXQKOWCSODS-AJNGGQMLSA-N 2 0 298.521 2.536 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429362567 283320708 /nfs/dbraw/zinc/32/07/08/283320708.db2.gz MRWWXKKHLJHHBM-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP Fc1ccc(CC[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420297066 236604516 /nfs/dbraw/zinc/60/45/16/236604516.db2.gz FHBUAGGOZIENOF-HNNXBMFYSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1ccccc1CCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420354895 236625160 /nfs/dbraw/zinc/62/51/60/236625160.db2.gz DHHYDHZQKWYRBY-INIZCTEOSA-N 2 0 260.425 2.905 20 0 CFADRP Cc1ccncc1CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377562 236788733 /nfs/dbraw/zinc/78/87/33/236788733.db2.gz SXJUOTUGIVMSRP-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678428489 540432955 /nfs/dbraw/zinc/43/29/55/540432955.db2.gz UAZYXKRNFMKHMR-KGLIPLIRSA-N 2 0 261.413 2.771 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000335601256 283426736 /nfs/dbraw/zinc/42/67/36/283426736.db2.gz JNOLXRCODKNIPC-HFLCMSJXSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000049156050 540464901 /nfs/dbraw/zinc/46/49/01/540464901.db2.gz RWYDVNIOMPMKPS-QWHCGFSZSA-N 2 0 266.454 2.999 20 0 CFADRP C[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000094472985 540451317 /nfs/dbraw/zinc/45/13/17/540451317.db2.gz ATHCBVFTRXSIFF-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)CCO[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000350732441 540483722 /nfs/dbraw/zinc/48/37/22/540483722.db2.gz NXSFCNWTEOYXAL-IAGOWNOFSA-N 2 0 282.472 2.998 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422698435 237120875 /nfs/dbraw/zinc/12/08/75/237120875.db2.gz ZHFJUFJMVYYFSD-FGTMMUONSA-N 2 0 288.435 2.550 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422730217 237143743 /nfs/dbraw/zinc/14/37/43/237143743.db2.gz JHGDKCJLVYNODV-RDJZCZTQSA-N 2 0 271.408 2.960 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000422738061 237151212 /nfs/dbraw/zinc/15/12/12/237151212.db2.gz JBHVZHTWBVXZMJ-QBYUYEEZSA-N 2 0 275.440 2.537 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703121 237122355 /nfs/dbraw/zinc/12/23/55/237122355.db2.gz MCJHPANQHBHWOY-JQHSSLGASA-N 2 0 290.451 2.741 20 0 CFADRP C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)[C@H]1CCCC[NH2+]1 ZINC000422703916 237124629 /nfs/dbraw/zinc/12/46/29/237124629.db2.gz ODMNCQKSNHOLME-UONOGXRCSA-N 2 0 286.423 2.616 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C)cc1 ZINC000422703426 237124815 /nfs/dbraw/zinc/12/48/15/237124815.db2.gz HRQZQMYNTBVBOO-MRXNPFEDSA-N 2 0 278.440 2.616 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422704406 237125074 /nfs/dbraw/zinc/12/50/74/237125074.db2.gz KNVKCSVTYWJIQD-NWDGAFQWSA-N 2 0 252.377 2.819 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000422708978 237130045 /nfs/dbraw/zinc/13/00/45/237130045.db2.gz COVHRXPESWGBEE-IAGOWNOFSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422715372 237131168 /nfs/dbraw/zinc/13/11/68/237131168.db2.gz JEUFVFWOSRBVNY-GJZGRUSLSA-N 2 0 299.418 2.876 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnccc1N ZINC000422716201 237131712 /nfs/dbraw/zinc/13/17/12/237131712.db2.gz NDCLVYAKBWKYJU-HNNXBMFYSA-N 2 0 290.455 2.801 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422720744 237135559 /nfs/dbraw/zinc/13/55/59/237135559.db2.gz SZXINNXWUCJZQH-IUODEOHRSA-N 2 0 282.815 2.826 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422726021 237137148 /nfs/dbraw/zinc/13/71/48/237137148.db2.gz YYQPPDKLPAASIJ-QZTJIDSGSA-N 2 0 290.451 2.743 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000422726371 237139815 /nfs/dbraw/zinc/13/98/15/237139815.db2.gz DSORMKXYSUHRTC-ZNMIVQPWSA-N 2 0 277.456 2.831 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422728126 237140505 /nfs/dbraw/zinc/14/05/05/237140505.db2.gz FDMHIQMSRUUMOW-MYSGWJLTSA-N 2 0 256.393 2.937 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727686 237142657 /nfs/dbraw/zinc/14/26/57/237142657.db2.gz DCLPOXPHDRYHGY-DTWKUNHWSA-N 2 0 289.192 2.804 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422768476 237184592 /nfs/dbraw/zinc/18/45/92/237184592.db2.gz NXOFUKVVWCDUFL-QWHCGFSZSA-N 2 0 252.427 2.803 20 0 CFADRP Fc1ccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000422752781 237166757 /nfs/dbraw/zinc/16/67/57/237166757.db2.gz DCKLWUICHJYSPT-YIONKMFJSA-N 2 0 287.382 2.722 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000679017020 540527455 /nfs/dbraw/zinc/52/74/55/540527455.db2.gz SHPBOMVZJIHPFS-YCPHGPKFSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422760983 237176581 /nfs/dbraw/zinc/17/65/81/237176581.db2.gz QSOJDVAQPVQVEC-CWRNSKLLSA-N 2 0 294.464 2.511 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795397 237218801 /nfs/dbraw/zinc/21/88/01/237218801.db2.gz VKPVLSGKHZAKFC-ROUUACIJSA-N 2 0 287.451 2.642 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422795529 237219499 /nfs/dbraw/zinc/21/94/99/237219499.db2.gz VWPHLWCDRSEOLW-QLFBSQMISA-N 2 0 292.423 2.570 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CC[C@H]1[NH3+] ZINC000251692653 540549103 /nfs/dbraw/zinc/54/91/03/540549103.db2.gz ILOUTSGZVSXBPJ-HUUCEWRRSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422796579 237220624 /nfs/dbraw/zinc/22/06/24/237220624.db2.gz YOEGCQPIGLEXBQ-HLLBOEOZSA-N 2 0 276.424 2.869 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422796905 237222497 /nfs/dbraw/zinc/22/24/97/237222497.db2.gz ZJDXIDOWDAUZDC-BZUAXINKSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1[NH3+] ZINC000251758823 540550661 /nfs/dbraw/zinc/55/06/61/540550661.db2.gz LUGSBRMXSMWFQE-MLGOLLRUSA-N 2 0 287.382 2.933 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422777134 237196090 /nfs/dbraw/zinc/19/60/90/237196090.db2.gz FKEBXTYLQDCQGQ-RDJZCZTQSA-N 2 0 260.425 2.824 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422777374 237196359 /nfs/dbraw/zinc/19/63/59/237196359.db2.gz FKVGOWJAKZUTHG-SWLSCSKDSA-N 2 0 266.816 2.860 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000251914113 540554794 /nfs/dbraw/zinc/55/47/94/540554794.db2.gz XYAJVNRKGYFZRV-JMSVASOKSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251929359 540555368 /nfs/dbraw/zinc/55/53/68/540555368.db2.gz YPLVPVAAFHZDDX-BXUZGUMPSA-N 2 0 268.401 2.587 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422780925 237200116 /nfs/dbraw/zinc/20/01/16/237200116.db2.gz LATKOBRKOPFRSP-GUTXKFCHSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422781102 237200399 /nfs/dbraw/zinc/20/03/99/237200399.db2.gz DQNAUUMXUMNPCF-XQQFMLRXSA-N 2 0 252.427 2.883 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422783245 237201837 /nfs/dbraw/zinc/20/18/37/237201837.db2.gz NWYRFNWOOWEULO-KCXAZCMYSA-N 2 0 262.397 2.658 20 0 CFADRP COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422783312 237202749 /nfs/dbraw/zinc/20/27/49/237202749.db2.gz HEUCPOVCJWMBNJ-KBPBESRZSA-N 2 0 280.412 2.570 20 0 CFADRP COc1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422784708 237205247 /nfs/dbraw/zinc/20/52/47/237205247.db2.gz JACTVTIQDZRLPU-ROUUACIJSA-N 2 0 298.386 2.808 20 0 CFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422786932 237207694 /nfs/dbraw/zinc/20/76/94/237207694.db2.gz PIHOBBLTTNPUSN-FJNPEDAXSA-N 2 0 298.434 2.702 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422788886 237208840 /nfs/dbraw/zinc/20/88/40/237208840.db2.gz NVQVMHBXPLBDLY-CPUCHLNUSA-N 2 0 292.423 2.570 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422790628 237211976 /nfs/dbraw/zinc/21/19/76/237211976.db2.gz XQLIJRFVYHDDKI-ZQIUZPCESA-N 2 0 276.424 2.919 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422791083 237213146 /nfs/dbraw/zinc/21/31/46/237213146.db2.gz YDRVUKMFZZJYKK-OCCSQVGLSA-N 2 0 252.789 2.600 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Sc1ccccc1 ZINC000422793127 237215447 /nfs/dbraw/zinc/21/54/47/237215447.db2.gz RRNOEXNVBULNKJ-OCVGTWLNSA-N 2 0 294.464 2.509 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422792925 237215551 /nfs/dbraw/zinc/21/55/51/237215551.db2.gz DYCPWJLGRRFFJI-VHSXEESVSA-N 2 0 260.303 2.921 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422815973 237242703 /nfs/dbraw/zinc/24/27/03/237242703.db2.gz YVYCUMBOKUPCGH-HOCLYGCPSA-N 2 0 258.409 2.696 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000666746537 540576621 /nfs/dbraw/zinc/57/66/21/540576621.db2.gz YMJKNSOINBFFJV-RDJZCZTQSA-N 2 0 269.392 2.842 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422823915 237253144 /nfs/dbraw/zinc/25/31/44/237253144.db2.gz MRGQPQSZPBWMOJ-OAHLLOKOSA-N 2 0 298.858 2.961 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252417367 540562440 /nfs/dbraw/zinc/56/24/40/540562440.db2.gz RHFUFPLRPSDZSE-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422829240 237257273 /nfs/dbraw/zinc/25/72/73/237257273.db2.gz PTBCTMJKHRSBDW-HUUCEWRRSA-N 2 0 254.418 2.585 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422809728 237234043 /nfs/dbraw/zinc/23/40/43/237234043.db2.gz QHYAIUSJSPDGSO-RCCFBDPRSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422810734 237235614 /nfs/dbraw/zinc/23/56/14/237235614.db2.gz UTFPXNXRLDPUCF-STQMWFEESA-N 2 0 289.423 2.641 20 0 CFADRP c1ccc2c(c1)ccnc2C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666902409 540590001 /nfs/dbraw/zinc/59/00/01/540590001.db2.gz OPXMEJLVDJKTRR-OAHLLOKOSA-N 2 0 269.392 2.857 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N(C)c1ccccc1 ZINC000422863311 237281292 /nfs/dbraw/zinc/28/12/92/237281292.db2.gz ONPRUGOUVYDSNK-INMHGKMJSA-N 2 0 275.440 2.618 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422864765 237285516 /nfs/dbraw/zinc/28/55/16/237285516.db2.gz VYDAHHUKYWQRKK-ZBFHGGJFSA-N 2 0 260.425 2.990 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953857 540596456 /nfs/dbraw/zinc/59/64/56/540596456.db2.gz JNRFCPCUBUIZCI-CJNGLKHVSA-N 2 0 276.399 2.879 20 0 CFADRP Fc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000666952374 540596674 /nfs/dbraw/zinc/59/66/74/540596674.db2.gz TXUXNFUPXKDXQO-ZDUSSCGKSA-N 2 0 268.763 2.711 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422838531 237265311 /nfs/dbraw/zinc/26/53/11/237265311.db2.gz OSAQZGOURXRMNO-IAQYHMDHSA-N 2 0 275.371 2.567 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422878638 237299337 /nfs/dbraw/zinc/29/93/37/237299337.db2.gz JKXNTDOAXZSTTQ-VPSFDDGASA-N 3 0 279.472 2.514 20 0 CFADRP C[C@@]1(C[NH2+]C[C@@H]2CCOc3ccccc32)CCC[NH2+]C1 ZINC000666843149 540586616 /nfs/dbraw/zinc/58/66/16/540586616.db2.gz BTWWWXJUFMHMDA-WMLDXEAASA-N 2 0 274.408 2.532 20 0 CFADRP CC1(C[NH2+]Cc2nccc3ccccc32)CC[NH2+]CC1 ZINC000666839683 540586652 /nfs/dbraw/zinc/58/66/52/540586652.db2.gz XNHYYKMOYDPEFU-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)CCC[NH3+])c[nH]c2c1 ZINC000422847587 237270837 /nfs/dbraw/zinc/27/08/37/237270837.db2.gz RVPMLSJAXKMKFK-CYBMUJFWSA-N 2 0 259.397 2.736 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422849415 237273916 /nfs/dbraw/zinc/27/39/16/237273916.db2.gz BXOHKIMWJUJHMS-JKSUJKDBSA-N 2 0 264.388 2.926 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422884225 237305234 /nfs/dbraw/zinc/30/52/34/237305234.db2.gz DOLJYNNKKLTZSO-YQQAZPJKSA-N 2 0 260.425 2.965 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ncoc2-c2ccccc2)CC1 ZINC000422888858 237307738 /nfs/dbraw/zinc/30/77/38/237307738.db2.gz DUCACLGINRYZBZ-UHFFFAOYSA-N 2 0 285.391 2.949 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422887770 237310134 /nfs/dbraw/zinc/31/01/34/237310134.db2.gz ZJMNRWWIYALAGD-IXDOHACOSA-N 3 0 281.488 2.748 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(C)cc1C ZINC000422890597 237312136 /nfs/dbraw/zinc/31/21/36/237312136.db2.gz SNAYSSHHGWOIJI-NVXWUHKLSA-N 2 0 278.440 2.578 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422892441 237317512 /nfs/dbraw/zinc/31/75/12/237317512.db2.gz YOZGIUGCIGUNKO-ZWNOBZJWSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422979273 299294805 /nfs/dbraw/zinc/29/48/05/299294805.db2.gz IXRPEFRHTAXBOZ-KBXCAEBGSA-N 2 0 288.435 2.668 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422819892 283467404 /nfs/dbraw/zinc/46/74/04/283467404.db2.gz JGCNRDVRESMBGR-MAUKXSAKSA-N 2 0 293.499 2.891 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000422922543 237354920 /nfs/dbraw/zinc/35/49/20/237354920.db2.gz TXLSPKUKCUDEFE-TZMCWYRMSA-N 2 0 268.376 2.539 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422923596 237356755 /nfs/dbraw/zinc/35/67/55/237356755.db2.gz WSNOVDAGHPDNMG-JTNHKYCSSA-N 2 0 270.804 2.743 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422946392 237374179 /nfs/dbraw/zinc/37/41/79/237374179.db2.gz WQQKZRXIJQNCSK-UPJWGTAASA-N 2 0 280.412 2.870 20 0 CFADRP CC1(C)C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000158863680 540633140 /nfs/dbraw/zinc/63/31/40/540633140.db2.gz KZYAJAJTELHCSU-UHFFFAOYSA-N 2 0 276.449 2.660 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422938703 237369907 /nfs/dbraw/zinc/36/99/07/237369907.db2.gz DZWZEXPEMUVADY-RCBQFDQVSA-N 2 0 296.842 2.615 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422946391 237374592 /nfs/dbraw/zinc/37/45/92/237374592.db2.gz WQQKZRXIJQNCSK-AVGNSLFASA-N 2 0 280.412 2.870 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422940300 237372208 /nfs/dbraw/zinc/37/22/08/237372208.db2.gz GVLSOGNNKKPWLP-ZFWWWQNUSA-N 2 0 266.816 2.990 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422917151 237345453 /nfs/dbraw/zinc/34/54/53/237345453.db2.gz CQNZAJMOBNTDTG-DOMZBBRYSA-N 2 0 268.376 2.620 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422917022 237346087 /nfs/dbraw/zinc/34/60/87/237346087.db2.gz FHIHEBLTMPXCJK-NCOADZHNSA-N 2 0 258.409 2.867 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422919234 237348425 /nfs/dbraw/zinc/34/84/25/237348425.db2.gz JHLWGZUABYXMCH-OWCLPIDISA-N 2 0 280.387 2.763 20 0 CFADRP COCC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000679368370 540626108 /nfs/dbraw/zinc/62/61/08/540626108.db2.gz JAJICNMXUBVOLJ-GOEBONIOSA-N 2 0 294.439 2.986 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422948212 237377477 /nfs/dbraw/zinc/37/74/77/237377477.db2.gz QXXKIVPEOKMPST-CABCVRRESA-N 2 0 262.397 2.623 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422948526 237379360 /nfs/dbraw/zinc/37/93/60/237379360.db2.gz SDHJEALYXCDLMX-WDEREUQCSA-N 2 0 272.339 2.546 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000422951751 237382829 /nfs/dbraw/zinc/38/28/29/237382829.db2.gz AAGMVPXVKXUIAX-WFASDCNBSA-N 2 0 262.397 2.844 20 0 CFADRP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385532 200171635 /nfs/dbraw/zinc/17/16/35/200171635.db2.gz AWNZVBLZUSGPGF-DGCLKSJQSA-N 2 0 299.296 2.534 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957699 237387305 /nfs/dbraw/zinc/38/73/05/237387305.db2.gz UXZCLDWVUUOWDZ-UONOGXRCSA-N 2 0 293.480 2.773 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422955106 237388048 /nfs/dbraw/zinc/38/80/48/237388048.db2.gz KWUCZPJPHGGXID-RDTXWAMCSA-N 2 0 299.418 2.887 20 0 CFADRP Cc1ccc(SC[C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423044459 237474323 /nfs/dbraw/zinc/47/43/23/237474323.db2.gz AOABMRQXJCRUBR-QWHCGFSZSA-N 2 0 264.438 2.673 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423030817 237457125 /nfs/dbraw/zinc/45/71/25/237457125.db2.gz WKUJGXYATNJLIV-NWDGAFQWSA-N 2 0 299.821 2.775 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423029541 237457845 /nfs/dbraw/zinc/45/78/45/237457845.db2.gz IHJBHJXTJVANHZ-DZGCQCFKSA-N 2 0 279.403 2.735 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCOC4(CCC4)C3)ccc12 ZINC000297537806 200222297 /nfs/dbraw/zinc/22/22/97/200222297.db2.gz OMFOXPXYWGLSTO-CQSZACIVSA-N 2 0 271.364 2.526 20 0 CFADRP C[C@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422727909 299305796 /nfs/dbraw/zinc/30/57/96/299305796.db2.gz DSEWVWKQQMAKSP-KKUMJFAQSA-N 2 0 293.480 2.615 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000162069320 540702180 /nfs/dbraw/zinc/70/21/80/540702180.db2.gz SROOTLUVLGPXLT-LSDHHAIUSA-N 2 0 274.408 2.756 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000104132756 296016326 /nfs/dbraw/zinc/01/63/26/296016326.db2.gz PIXIAVJIHKYOPN-VXGBXAGGSA-N 2 0 250.361 2.946 20 0 CFADRP CN1CC[NH+](CCCC[NH2+]CCC2CCCCC2)CC1 ZINC000682997237 540735148 /nfs/dbraw/zinc/73/51/48/540735148.db2.gz HTPSRIKQUSVMCR-UHFFFAOYSA-N 2 0 281.488 2.574 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000177986387 189083468 /nfs/dbraw/zinc/08/34/68/189083468.db2.gz BDXLLIIPYSWFLS-OFQRWUPVSA-N 2 0 276.424 2.822 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CCC1 ZINC000178173405 189095302 /nfs/dbraw/zinc/09/53/02/189095302.db2.gz UUIKAXAFJDTEIY-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423342553 299312139 /nfs/dbraw/zinc/31/21/39/299312139.db2.gz NFTLLZDJXCJQNA-YOEHRIQHSA-N 2 0 275.440 2.793 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000178457834 189118114 /nfs/dbraw/zinc/11/81/14/189118114.db2.gz BJBCQNGHXMWKIR-JHNDHUHGSA-N 2 0 276.424 2.692 20 0 CFADRP c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000411280777 540780107 /nfs/dbraw/zinc/78/01/07/540780107.db2.gz GAOOYOTZFFCBRC-KBAYOESNSA-N 2 0 270.420 2.960 20 0 CFADRP C[NH2+]CCCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000435877014 240364412 /nfs/dbraw/zinc/36/44/12/240364412.db2.gz MPZJONIVKLIVTM-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000414924369 540830440 /nfs/dbraw/zinc/83/04/40/540830440.db2.gz KAJDIHPMWFBELP-QWRGUYRKSA-N 2 0 256.752 2.839 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000178974680 189159259 /nfs/dbraw/zinc/15/92/59/189159259.db2.gz CCNGIMLYISTRQS-QAPCUYQASA-N 2 0 288.435 2.756 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCCC1 ZINC000386103718 540829835 /nfs/dbraw/zinc/82/98/35/540829835.db2.gz RTGWEMOXYOYWBL-XUWVNRHRSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423101626 238202010 /nfs/dbraw/zinc/20/20/10/238202010.db2.gz WDYBUHVIXACJSL-BHYGNILZSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423096822 238198322 /nfs/dbraw/zinc/19/83/22/238198322.db2.gz IEFLBGKQVOARTR-BBRMVZONSA-N 2 0 271.408 2.688 20 0 CFADRP c1nn2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423097020 238200805 /nfs/dbraw/zinc/20/08/05/238200805.db2.gz AAUAFTBIBFONNI-BRWVUGGUSA-N 2 0 298.434 2.735 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423131159 238219810 /nfs/dbraw/zinc/21/98/10/238219810.db2.gz ZKVFXXINLWRUHC-HZMVEIRTSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423101965 238202489 /nfs/dbraw/zinc/20/24/89/238202489.db2.gz WSCBXZNKAKVYGV-RNJOBUHISA-N 2 0 250.361 2.787 20 0 CFADRP CCCC[C@H](CC)CC[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045180 540833365 /nfs/dbraw/zinc/83/33/65/540833365.db2.gz STZHDDCJIHAKDT-LSDHHAIUSA-N 2 0 256.434 2.561 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415036693 540833392 /nfs/dbraw/zinc/83/33/92/540833392.db2.gz GCKNLINETQXSSL-ZIAGYGMSSA-N 2 0 291.464 2.985 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[NH3+])C2)cc1F ZINC000423112261 238205799 /nfs/dbraw/zinc/20/57/99/238205799.db2.gz JMBSMZRZYINRJS-NZBPQXDJSA-N 2 0 278.371 2.550 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)c2ccccc21 ZINC000423129530 238220905 /nfs/dbraw/zinc/22/09/05/238220905.db2.gz FDYYZQPOPAYAIF-QGTPRVQTSA-N 2 0 288.435 2.910 20 0 CFADRP C[C@@H]1CC(CC[NH2+]C2CCC(C[NH3+])CC2)C[C@@H](C)O1 ZINC000423117386 238209794 /nfs/dbraw/zinc/20/97/94/238209794.db2.gz VFCVINYMTCEWDH-NOZYUVCASA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000423117886 238211356 /nfs/dbraw/zinc/21/13/56/238211356.db2.gz XRBGAQPOQHPPPT-OTTFEQOBSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423139232 238226632 /nfs/dbraw/zinc/22/66/32/238226632.db2.gz UXQAPUVJRXSGDY-GLQYFDAESA-N 2 0 298.377 2.640 20 0 CFADRP Cc1cc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000423142784 238228993 /nfs/dbraw/zinc/22/89/93/238228993.db2.gz VXHITMMZYLEVRY-NEPJUHHUSA-N 2 0 254.805 2.906 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)(C)C ZINC000670265038 540845726 /nfs/dbraw/zinc/84/57/26/540845726.db2.gz GRVBIBLVRZEQGZ-IKGGRYGDSA-N 2 0 295.515 2.626 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000423147372 238234308 /nfs/dbraw/zinc/23/43/08/238234308.db2.gz RVNJGUSPXINFHH-WBMJQRKESA-N 2 0 298.377 2.686 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)(C)C ZINC000670265039 540846180 /nfs/dbraw/zinc/84/61/80/540846180.db2.gz GRVBIBLVRZEQGZ-IXDOHACOSA-N 2 0 295.515 2.626 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423152541 238235813 /nfs/dbraw/zinc/23/58/13/238235813.db2.gz LTBJNPJINBPCFG-ZBFHGGJFSA-N 2 0 264.388 2.784 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000423156063 238238873 /nfs/dbraw/zinc/23/88/73/238238873.db2.gz LZLBTXDMBZZIKD-NWDGAFQWSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423155647 238239982 /nfs/dbraw/zinc/23/99/82/238239982.db2.gz JQPBVXFHNIOIFE-NXEZZACHSA-N 2 0 274.767 2.573 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423132362 238221655 /nfs/dbraw/zinc/22/16/55/238221655.db2.gz ULWOEDJGMBJOSI-ZDUSSCGKSA-N 2 0 293.455 2.952 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000423133828 238222016 /nfs/dbraw/zinc/22/20/16/238222016.db2.gz DDUMAELQIQYORK-DZGCQCFKSA-N 2 0 266.816 2.908 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H](C)C(C)(C)C ZINC000670268578 540849823 /nfs/dbraw/zinc/84/98/23/540849823.db2.gz RKFYOTAGWQCVEH-UONOGXRCSA-N 2 0 258.450 2.615 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000684387361 540841333 /nfs/dbraw/zinc/84/13/33/540841333.db2.gz IMIXOZHQYYFQNT-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(Br)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000423174214 238253585 /nfs/dbraw/zinc/25/35/85/238253585.db2.gz BQRINOGWVAOBRZ-NSHDSACASA-N 2 0 285.229 2.975 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423184204 238262083 /nfs/dbraw/zinc/26/20/83/238262083.db2.gz NFPCVERDAFARDJ-GADNRMJZSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200390 238273560 /nfs/dbraw/zinc/27/35/60/238273560.db2.gz MDCTWHMXRHCTNU-CYBMUJFWSA-N 2 0 250.386 2.852 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423206895 238277516 /nfs/dbraw/zinc/27/75/16/238277516.db2.gz CLVNHVTXBHCHQI-KCQAQPDRSA-N 2 0 292.471 2.985 20 0 CFADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)COC1CCCC1 ZINC000166399902 540895414 /nfs/dbraw/zinc/89/54/14/540895414.db2.gz XTKADLPCAOJCSD-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])oc21 ZINC000423226232 238288953 /nfs/dbraw/zinc/28/89/53/238288953.db2.gz PVOWDTIDKKMSCV-WDEREUQCSA-N 2 0 262.353 2.829 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423227966 238291245 /nfs/dbraw/zinc/29/12/45/238291245.db2.gz XSGBLHZFJLDKAR-CFVMTHIKSA-N 2 0 262.397 2.559 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000179630650 189208384 /nfs/dbraw/zinc/20/83/84/189208384.db2.gz HLZVAXPSWQZVEZ-INIZCTEOSA-N 2 0 260.425 2.995 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)o1 ZINC000423219237 238284839 /nfs/dbraw/zinc/28/48/39/238284839.db2.gz SZBAKBKUVIGHAQ-DYEKYZERSA-N 2 0 250.386 2.935 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Br)cc1F ZINC000423222940 238286431 /nfs/dbraw/zinc/28/64/31/238286431.db2.gz DHLIPNVTPWFEHS-DTWKUNHWSA-N 2 0 289.192 2.976 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423239204 238299940 /nfs/dbraw/zinc/29/99/40/238299940.db2.gz AYMMRFGPZRICRM-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP COCCc1nc(C)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000423221630 238287268 /nfs/dbraw/zinc/28/72/68/238287268.db2.gz XFLZYVNADWJBKE-QFWMXSHPSA-N 2 0 297.468 2.561 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)c(Br)c1 ZINC000423239050 238300897 /nfs/dbraw/zinc/30/08/97/238300897.db2.gz VWQZULKJRCQNJG-DTWKUNHWSA-N 2 0 289.192 2.976 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000423246485 238306487 /nfs/dbraw/zinc/30/64/87/238306487.db2.gz KENCFLGAKQCYBH-RYUDHWBXSA-N 2 0 284.350 2.938 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423247727 238306823 /nfs/dbraw/zinc/30/68/23/238306823.db2.gz LRHCXNSIXJHRGX-DOTOQJQBSA-N 2 0 258.409 2.597 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423254396 238310337 /nfs/dbraw/zinc/31/03/37/238310337.db2.gz XYCXIKIRTYHXNO-IUODEOHRSA-N 2 0 282.815 2.617 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423254430 238311061 /nfs/dbraw/zinc/31/10/61/238311061.db2.gz YBDBHVVPBLDTCT-KGLIPLIRSA-N 2 0 269.392 2.885 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)nc1 ZINC000423252704 238311270 /nfs/dbraw/zinc/31/12/70/238311270.db2.gz UJASPUYRCODJSO-KSSFIOAISA-N 2 0 299.393 2.899 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)o1 ZINC000423255875 238312496 /nfs/dbraw/zinc/31/24/96/238312496.db2.gz DCAKUDJORJIUMY-GXTWGEPZSA-N 2 0 250.386 2.937 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260811 238316515 /nfs/dbraw/zinc/31/65/15/238316515.db2.gz QTZFLRFBGXBHDX-RYUDHWBXSA-N 2 0 268.426 2.797 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423265199 238321106 /nfs/dbraw/zinc/32/11/06/238321106.db2.gz ZNWVPNUZWWNRDJ-KGLIPLIRSA-N 2 0 274.408 2.757 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)oc1C ZINC000423267454 238325089 /nfs/dbraw/zinc/32/50/89/238325089.db2.gz FBTCTPSEDVRPPG-TZMCWYRMSA-N 2 0 250.386 2.937 20 0 CFADRP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CCOCC1 ZINC000423280913 238341056 /nfs/dbraw/zinc/34/10/56/238341056.db2.gz TXWFKZPXFLPNPL-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423299382 238356713 /nfs/dbraw/zinc/35/67/13/238356713.db2.gz PZQBYGNHCXWBED-KGLIPLIRSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000423299384 238357598 /nfs/dbraw/zinc/35/75/98/238357598.db2.gz PZQBYGNHCXWBED-ZIAGYGMSSA-N 2 0 269.392 2.994 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423303076 238357936 /nfs/dbraw/zinc/35/79/36/238357936.db2.gz WMNNLSPUISEYHS-WDEREUQCSA-N 2 0 290.436 2.759 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423302529 238358216 /nfs/dbraw/zinc/35/82/16/238358216.db2.gz VRGAEZBLIPXWMJ-NEPJUHHUSA-N 2 0 290.386 2.565 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423301510 238358487 /nfs/dbraw/zinc/35/84/87/238358487.db2.gz UBHPFIBNNGWKNR-YGRLFVJLSA-N 2 0 252.789 2.976 20 0 CFADRP CCc1nc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000157158830 540943578 /nfs/dbraw/zinc/94/35/78/540943578.db2.gz LXBVXRYBHNXQPQ-LBPRGKRZSA-N 2 0 281.469 2.568 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000158207334 540968870 /nfs/dbraw/zinc/96/88/70/540968870.db2.gz BXVYXHXIUZVRKW-QGZVFWFLSA-N 3 0 295.515 2.818 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000158188177 540969089 /nfs/dbraw/zinc/96/90/89/540969089.db2.gz QJKNIOQSGGTQGS-BLLLJJGKSA-N 2 0 262.372 2.744 20 0 CFADRP Clc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CCC2)cc1 ZINC000423326776 238378431 /nfs/dbraw/zinc/37/84/31/238378431.db2.gz RCWGFJKXNIJILW-HNNXBMFYSA-N 2 0 264.800 2.990 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CCC[NH2+]C1 ZINC000423328347 238380783 /nfs/dbraw/zinc/38/07/83/238380783.db2.gz DMAKWVZUBPNEAF-ZNMIVQPWSA-N 2 0 256.409 2.884 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC000423334335 238386273 /nfs/dbraw/zinc/38/62/73/238386273.db2.gz SRFZWBCBIPKEIX-LSDHHAIUSA-N 2 0 261.413 2.745 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337072 238387631 /nfs/dbraw/zinc/38/76/31/238387631.db2.gz ACMMREJPZYGMSK-MORSLUCNSA-N 2 0 286.419 2.697 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000157902907 540964206 /nfs/dbraw/zinc/96/42/06/540964206.db2.gz LMKPODFHGYLAGG-QGZVFWFLSA-N 3 0 295.515 2.963 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158114744 540967192 /nfs/dbraw/zinc/96/71/92/540967192.db2.gz ZFRUGRVNYLLBQJ-YOEHRIQHSA-N 2 0 258.409 2.914 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(F)c1F ZINC000423345958 238395308 /nfs/dbraw/zinc/39/53/08/238395308.db2.gz OSAPSOMORGHMSB-JTQLQIEISA-N 2 0 252.308 2.535 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000423473262 238479729 /nfs/dbraw/zinc/47/97/29/238479729.db2.gz GNCNFGNJKUOZOO-JSGCOSHPSA-N 2 0 276.380 2.598 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000423488003 238489482 /nfs/dbraw/zinc/48/94/82/238489482.db2.gz DBCUMMAHPGCMEK-GZBFAFLISA-N 2 0 290.407 2.626 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739757 541063113 /nfs/dbraw/zinc/06/31/13/541063113.db2.gz NEJHIFVOFXUCJJ-GFCCVEGCSA-N 2 0 289.379 2.670 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746301 541064036 /nfs/dbraw/zinc/06/40/36/541064036.db2.gz HTOHRWRRQKDTPQ-NSHDSACASA-N 2 0 289.379 2.526 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000184460490 189386500 /nfs/dbraw/zinc/38/65/00/189386500.db2.gz HLNCANPCXFKEQC-JKIFEVAISA-N 2 0 293.430 2.946 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1C ZINC000184462680 189386554 /nfs/dbraw/zinc/38/65/54/189386554.db2.gz KKCNOWVQHCKONB-XJKSGUPXSA-N 2 0 279.403 2.700 20 0 CFADRP CC[C@@H](C)Oc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OC ZINC000666831937 541149132 /nfs/dbraw/zinc/14/91/32/541149132.db2.gz MRZOJHMJSQUUSZ-CHWSQXEVSA-N 2 0 280.412 2.699 20 0 CFADRP c1ccc(OCCCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666858127 541153658 /nfs/dbraw/zinc/15/36/58/541153658.db2.gz YIURHWFUUWTSGS-HNNXBMFYSA-N 2 0 262.397 2.577 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000666743440 541137243 /nfs/dbraw/zinc/13/72/43/541137243.db2.gz IQLFLRFFGZRIHT-PWSUYJOCSA-N 2 0 287.329 2.708 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(C2CC2)s1 ZINC000666937668 541163931 /nfs/dbraw/zinc/16/39/31/541163931.db2.gz YSDPPYJCAUYIIY-SNVBAGLBSA-N 2 0 253.415 2.628 20 0 CFADRP CC1(C)CCC(C[NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666952155 541166036 /nfs/dbraw/zinc/16/60/36/541166036.db2.gz HXUAKVLQHFUBIP-CQSZACIVSA-N 2 0 250.430 2.935 20 0 CFADRP c1ccc(OCCCCC[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953832 541166650 /nfs/dbraw/zinc/16/66/50/541166650.db2.gz IPNUQKWXAMFZPU-KRWDZBQOSA-N 2 0 288.435 2.967 20 0 CFADRP c1ccc(OCCCC[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954536 541167052 /nfs/dbraw/zinc/16/70/52/541167052.db2.gz XMNIIGMAXWPTPZ-INIZCTEOSA-N 2 0 274.408 2.577 20 0 CFADRP c1ccc([C@@H]2C[C@H](N[C@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]2)cc1 ZINC000666993906 541170601 /nfs/dbraw/zinc/17/06/01/541170601.db2.gz SGGSLDCUWUUNKJ-SQNIBIBYSA-N 3 0 299.462 2.744 20 0 CFADRP CN(C)c1ccccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998528 541171875 /nfs/dbraw/zinc/17/18/75/541171875.db2.gz ZIRBCFWVTZHQTI-OAHLLOKOSA-N 2 0 273.424 2.517 20 0 CFADRP Fc1cccc(F)c1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998421 541172285 /nfs/dbraw/zinc/17/22/85/541172285.db2.gz STOKKVTVAMBPPO-LLVKDONJSA-N 2 0 266.335 2.729 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666901575 541157957 /nfs/dbraw/zinc/15/79/57/541157957.db2.gz LQVXBBOKSXFZFS-BBRMVZONSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@H](C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)C(C)(C)C ZINC000667054138 541178407 /nfs/dbraw/zinc/17/84/07/541178407.db2.gz OFLPSANLGNLHEQ-KBMXLJTQSA-N 2 0 282.472 2.887 20 0 CFADRP CCCO[C@H]1CCC[N@H+](Cc2cnc3n2CCC3)CC1 ZINC000667618351 541269425 /nfs/dbraw/zinc/26/94/25/541269425.db2.gz VYNDBSUFEKNMTK-HNNXBMFYSA-N 2 0 277.412 2.610 20 0 CFADRP Cc1ncc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)n1C ZINC000667662277 541282143 /nfs/dbraw/zinc/28/21/43/541282143.db2.gz DBXXXUVAKKXOHQ-KSSFIOAISA-N 2 0 299.418 2.999 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc1F ZINC000667870127 541331477 /nfs/dbraw/zinc/33/14/77/541331477.db2.gz ONAXTUQMCOQYAH-NVXWUHKLSA-N 2 0 292.398 2.544 20 0 CFADRP C1CC1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000667891753 541335699 /nfs/dbraw/zinc/33/56/99/541335699.db2.gz WUYJEMNXTYDMJP-FUHWJXTLSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667890332 541335736 /nfs/dbraw/zinc/33/57/36/541335736.db2.gz CXPPUHCXLVIHPC-ZWKOTPCHSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1ncc(C[N@H+](C)CC2(c3ccccc3)CC2)n1C ZINC000668026864 541369788 /nfs/dbraw/zinc/36/97/88/541369788.db2.gz ACJSLIBCTWRIRW-UHFFFAOYSA-N 2 0 269.392 2.892 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423451191 283792164 /nfs/dbraw/zinc/79/21/64/283792164.db2.gz IDFSCTSAJIKVNC-SOUVJXGZSA-N 2 0 284.444 2.606 20 0 CFADRP [NH3+]CCC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000437791846 541386250 /nfs/dbraw/zinc/38/62/50/541386250.db2.gz HTHOVYAXZNMQED-UHFFFAOYSA-N 2 0 288.366 2.843 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000432865892 240059865 /nfs/dbraw/zinc/05/98/65/240059865.db2.gz JPYOGLHYIRYSHG-KRWDZBQOSA-N 2 0 284.488 2.837 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000433124420 240106989 /nfs/dbraw/zinc/10/69/89/240106989.db2.gz CEFIJGUSLZKQCB-HOCLYGCPSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000433171519 240114531 /nfs/dbraw/zinc/11/45/31/240114531.db2.gz ANQMOKGKISCBOA-IXDOHACOSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@H+](Cc1cccc(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435388491 240310074 /nfs/dbraw/zinc/31/00/74/240310074.db2.gz FZAKXJYZCDMVEI-OAHLLOKOSA-N 2 0 262.397 2.659 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487276228 541434617 /nfs/dbraw/zinc/43/46/17/541434617.db2.gz WQHDMGJWZLCPOH-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000435390125 240310566 /nfs/dbraw/zinc/31/05/66/240310566.db2.gz ACUSRAGPVYVFFD-HUUCEWRRSA-N 2 0 260.425 2.924 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435432574 240315402 /nfs/dbraw/zinc/31/54/02/240315402.db2.gz NTFDMTGLXHAEEG-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442872108 241009643 /nfs/dbraw/zinc/00/96/43/241009643.db2.gz JCSWYMLCYISHKG-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000442880687 241012379 /nfs/dbraw/zinc/01/23/79/241012379.db2.gz XTOSFXJUWNPPKO-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442924695 241020320 /nfs/dbraw/zinc/02/03/20/241020320.db2.gz SSKFZDJHBROYPN-DOTOQJQBSA-N 2 0 260.425 2.926 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000443199900 241047945 /nfs/dbraw/zinc/04/79/45/241047945.db2.gz RSENBXALCUNXCV-YJBOKZPZSA-N 2 0 289.467 2.670 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000444610571 241154475 /nfs/dbraw/zinc/15/44/75/241154475.db2.gz PTCSTHPKLFVMOR-SJORKVTESA-N 2 0 280.456 2.611 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC3([NH+](C)C)CCC3)c2c1 ZINC000445603286 241225674 /nfs/dbraw/zinc/22/56/74/241225674.db2.gz BWICKPRRUZQWCS-UHFFFAOYSA-N 2 0 269.392 2.861 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446886578 241336834 /nfs/dbraw/zinc/33/68/34/241336834.db2.gz HDYDNWOIHBEBIU-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccsc1 ZINC000447593431 241389045 /nfs/dbraw/zinc/38/90/45/241389045.db2.gz RVDFKKKSXXDACV-CQSZACIVSA-N 2 0 270.442 2.757 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601853 241391808 /nfs/dbraw/zinc/39/18/08/241391808.db2.gz RMMVAXGSMCRSJN-SUMWQHHRSA-N 2 0 294.414 2.617 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000447602512 241392574 /nfs/dbraw/zinc/39/25/74/241392574.db2.gz UTIHGPOKHLIFTG-SJORKVTESA-N 2 0 294.414 2.630 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CCSCC1 ZINC000423269859 299369215 /nfs/dbraw/zinc/36/92/15/299369215.db2.gz FZWKXDNVVOPBOG-FPMFFAJLSA-N 2 0 256.459 2.625 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000449619090 242068961 /nfs/dbraw/zinc/06/89/61/242068961.db2.gz NFXCRBXSQPAKGX-HZPDHXFCSA-N 2 0 289.423 2.642 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000449619089 242069526 /nfs/dbraw/zinc/06/95/26/242069526.db2.gz NFXCRBXSQPAKGX-HOTGVXAUSA-N 2 0 289.423 2.642 20 0 CFADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)O ZINC000449543995 242016040 /nfs/dbraw/zinc/01/60/40/242016040.db2.gz PPZQFWWDWGWDRE-ATLSCFEFSA-N 2 0 290.451 2.646 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000449555288 242026490 /nfs/dbraw/zinc/02/64/90/242026490.db2.gz QSUIPGBJUPAUIN-SUMWQHHRSA-N 2 0 276.399 2.749 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[NH+](C)C ZINC000449557986 242030216 /nfs/dbraw/zinc/03/02/16/242030216.db2.gz UBEOHCXPFQFGOL-YQQAZPJKSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCC[NH2+]C1 ZINC000423346074 291390569 /nfs/dbraw/zinc/39/05/69/291390569.db2.gz PMHPVDSFTPBEHK-VQHPVUNQSA-N 2 0 280.456 2.561 20 0 CFADRP CCc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000450260186 242328347 /nfs/dbraw/zinc/32/83/47/242328347.db2.gz IVWFJJFPZSEIQR-INIZCTEOSA-N 2 0 259.397 2.709 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(CC)c2)C1 ZINC000450362964 242377659 /nfs/dbraw/zinc/37/76/59/242377659.db2.gz SOKOYCHBFUTBBO-CQSZACIVSA-N 2 0 261.413 2.812 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1Cl)C1C[NH2+]C1 ZINC000422727280 296117052 /nfs/dbraw/zinc/11/70/52/296117052.db2.gz HARCWTZCDYZJHX-SNVBAGLBSA-N 2 0 284.806 2.954 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnn(C)c1 ZINC000247204626 296121947 /nfs/dbraw/zinc/12/19/47/296121947.db2.gz WMZWUXNZZDLMCV-HUUCEWRRSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1nccc2ccccc21 ZINC000423390342 299388530 /nfs/dbraw/zinc/38/85/30/299388530.db2.gz KBCKSDPFHJJBPH-HEHGZKQESA-N 2 0 269.392 2.883 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000675783540 541693707 /nfs/dbraw/zinc/69/37/07/541693707.db2.gz JWVMSJMKFWSFLH-WBVHZDCISA-N 2 0 287.451 2.512 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000453057700 243380214 /nfs/dbraw/zinc/38/02/14/243380214.db2.gz IUKCHILPMIFBQT-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000453057698 243380454 /nfs/dbraw/zinc/38/04/54/243380454.db2.gz IUKCHILPMIFBQT-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C(C)(C)C ZINC000453057699 243380576 /nfs/dbraw/zinc/38/05/76/243380576.db2.gz IUKCHILPMIFBQT-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453056979 243381461 /nfs/dbraw/zinc/38/14/61/243381461.db2.gz CYYCBSPVCQTWGB-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875916 541702043 /nfs/dbraw/zinc/70/20/43/541702043.db2.gz UUSKNSYFNDEOKH-DLBZAZTESA-N 2 0 293.499 2.879 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1CCCN1CCOC)C(C)(C)C ZINC000453092727 243397664 /nfs/dbraw/zinc/39/76/64/243397664.db2.gz NYYYNKIAEOKVES-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)C(C)(C)C ZINC000453092729 243399075 /nfs/dbraw/zinc/39/90/75/243399075.db2.gz NYYYNKIAEOKVES-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675831886 541699326 /nfs/dbraw/zinc/69/93/26/541699326.db2.gz SFFDLUMIKGJXGP-OWCLPIDISA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1c[nH+]ccc1N ZINC000422896679 296127287 /nfs/dbraw/zinc/12/72/87/296127287.db2.gz YQHMPUKOKMYDOQ-DYVFJYSZSA-N 2 0 290.455 2.655 20 0 CFADRP C[C@@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422706435 296128278 /nfs/dbraw/zinc/12/82/78/296128278.db2.gz DZKQFZHIRGPQFE-XYPHTWIQSA-N 2 0 293.430 2.549 20 0 CFADRP CO[C@H](C)c1nc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000675929711 541710899 /nfs/dbraw/zinc/71/08/99/541710899.db2.gz CGNCZZUQLMQNAJ-NWDGAFQWSA-N 2 0 297.468 2.670 20 0 CFADRP CO[C@@H](C)c1nc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000675929710 541710928 /nfs/dbraw/zinc/71/09/28/541710928.db2.gz CGNCZZUQLMQNAJ-NEPJUHHUSA-N 2 0 297.468 2.670 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1N(C)C ZINC000423544706 299395872 /nfs/dbraw/zinc/39/58/72/299395872.db2.gz OTFHDLVFCSIEGN-CAOSSQGBSA-N 2 0 287.451 2.791 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccccc2C)CC1 ZINC000161651518 541730298 /nfs/dbraw/zinc/73/02/98/541730298.db2.gz SJTHSFNMVVQDLM-UHFFFAOYSA-N 2 0 276.424 2.838 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cs1 ZINC000226326168 189772115 /nfs/dbraw/zinc/77/21/15/189772115.db2.gz GSFPPBAGGGABHV-JSGCOSHPSA-N 2 0 281.469 2.894 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000676716800 541782492 /nfs/dbraw/zinc/78/24/92/541782492.db2.gz XPTSXWLHPBSGOB-OWCLPIDISA-N 2 0 282.472 2.996 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000269030390 541800710 /nfs/dbraw/zinc/80/07/10/541800710.db2.gz ROHDDBWMOUHRFU-OAHLLOKOSA-N 2 0 250.361 2.744 20 0 CFADRP C([NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000676901905 541804255 /nfs/dbraw/zinc/80/42/55/541804255.db2.gz MNIIOWNAPBWJPY-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP c1n[nH]cc1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000459373911 245159904 /nfs/dbraw/zinc/15/99/04/245159904.db2.gz KVARGHLVXKGUHO-UHFFFAOYSA-N 2 0 290.455 2.540 20 0 CFADRP Cc1csc(CCCC[NH2+]C2CCN(C3CC3)CC2)n1 ZINC000459399707 245164095 /nfs/dbraw/zinc/16/40/95/245164095.db2.gz HCKRRFUIQHJUNH-UHFFFAOYSA-N 2 0 293.480 2.991 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459541874 245211815 /nfs/dbraw/zinc/21/18/15/245211815.db2.gz NEVOZMOLPJVQIL-MRXNPFEDSA-N 2 0 284.488 2.885 20 0 CFADRP CCC1(C)C[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000459629834 245250997 /nfs/dbraw/zinc/25/09/97/245250997.db2.gz FJPJTVHPVYTDBF-UHFFFAOYSA-N 2 0 270.380 2.808 20 0 CFADRP CCC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCOCC1 ZINC000459660367 245262940 /nfs/dbraw/zinc/26/29/40/245262940.db2.gz NWEHYXROHSCMRQ-UHFFFAOYSA-N 2 0 273.380 2.631 20 0 CFADRP c1ccc2c(c1)CCCN2CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677237902 541837271 /nfs/dbraw/zinc/83/72/71/541837271.db2.gz QITHRVXLQSYHPE-ROUUACIJSA-N 2 0 299.462 2.656 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677237428 541837731 /nfs/dbraw/zinc/83/77/31/541837731.db2.gz HFPFKCUQLQSMNP-SJORKVTESA-N 2 0 288.435 2.899 20 0 CFADRP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235910 296165868 /nfs/dbraw/zinc/16/58/68/296165868.db2.gz WHWVVIDLXUUHLO-KQTLUZQSSA-N 2 0 282.497 2.981 20 0 CFADRP COc1ccc(F)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459730602 245292322 /nfs/dbraw/zinc/29/23/22/245292322.db2.gz DXZXYJAGWCZBLQ-ZDUSSCGKSA-N 2 0 280.387 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000459747017 245300460 /nfs/dbraw/zinc/30/04/60/245300460.db2.gz ZNESKZYFVKMLNO-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459721794 245284191 /nfs/dbraw/zinc/28/41/91/245284191.db2.gz AXRCZACOOJYRKT-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC000459722546 245285016 /nfs/dbraw/zinc/28/50/16/245285016.db2.gz BSFXFEFATSIXGI-ZDUSSCGKSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCc1cncn1C ZINC000459770875 245316529 /nfs/dbraw/zinc/31/65/29/245316529.db2.gz SSGYDZHHESHYIK-ZDUSSCGKSA-N 2 0 275.371 2.665 20 0 CFADRP C[C@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC1CCOCC1 ZINC000459783470 245324007 /nfs/dbraw/zinc/32/40/07/245324007.db2.gz NHIYPNANTWUEAK-RDJZCZTQSA-N 2 0 282.472 2.761 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002498193 371730237 /nfs/dbraw/zinc/73/02/37/371730237.db2.gz LACWBQUDWIOOLD-ZDUSSCGKSA-N 2 0 266.404 2.934 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2ccccc2C)C1 ZINC000011888842 371934625 /nfs/dbraw/zinc/93/46/25/371934625.db2.gz ZZRJXNQZUCPZCD-INIZCTEOSA-N 2 0 260.425 2.859 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(O)cc1 ZINC000019912838 372207642 /nfs/dbraw/zinc/20/76/42/372207642.db2.gz NSWCXZJHBSCOFG-CQSZACIVSA-N 2 0 262.397 2.746 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000019905796 372206636 /nfs/dbraw/zinc/20/66/36/372206636.db2.gz NXNGPTIJLFKZHY-ZDUSSCGKSA-N 2 0 264.413 2.934 20 0 CFADRP CCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000034824201 372514919 /nfs/dbraw/zinc/51/49/19/372514919.db2.gz LUGOXEURRRQBPK-UHFFFAOYSA-N 2 0 275.440 2.718 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000036908680 372609745 /nfs/dbraw/zinc/60/97/45/372609745.db2.gz ZNPGIWLEHAUWCO-XJKCOSOUSA-N 2 0 264.388 2.687 20 0 CFADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037042948 372641076 /nfs/dbraw/zinc/64/10/76/372641076.db2.gz YHOISZMOXVWSSO-CZUORRHYSA-N 2 0 291.439 2.840 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037648871 372685432 /nfs/dbraw/zinc/68/54/32/372685432.db2.gz HZMKPAHGZPDJJW-LSDHHAIUSA-N 2 0 288.435 2.700 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000037679546 372688240 /nfs/dbraw/zinc/68/82/40/372688240.db2.gz JJWKLNBAPBVZNJ-JJRVBVJISA-N 2 0 276.424 2.904 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000037714979 372691902 /nfs/dbraw/zinc/69/19/02/372691902.db2.gz OPRHIHXQJAKSNZ-ZDUSSCGKSA-N 2 0 250.386 2.863 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+]CCCC[NH3+])oc21 ZINC000037715236 372692120 /nfs/dbraw/zinc/69/21/20/372692120.db2.gz QWUKUWSPJPIDOX-NSHDSACASA-N 2 0 262.353 2.831 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037715120 372692349 /nfs/dbraw/zinc/69/23/49/372692349.db2.gz TYIWFXCELKEISB-SNVBAGLBSA-N 2 0 276.302 2.975 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037715119 372692601 /nfs/dbraw/zinc/69/26/01/372692601.db2.gz TYIWFXCELKEISB-JTQLQIEISA-N 2 0 276.302 2.975 20 0 CFADRP CCCCOc1ccc(C[NH2+]CCCC[NH3+])cc1 ZINC000037715164 372692961 /nfs/dbraw/zinc/69/29/61/372692961.db2.gz LDLHSNKZXWXXJU-UHFFFAOYSA-N 2 0 250.386 2.694 20 0 CFADRP Cc1cnccc1CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000571320892 383684245 /nfs/dbraw/zinc/68/42/45/383684245.db2.gz WGQZIOMYYRURAT-UHFFFAOYSA-N 2 0 289.467 2.986 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CC2CCOCC2)C1 ZINC000349968564 284353350 /nfs/dbraw/zinc/35/33/50/284353350.db2.gz HQBFSPBJKRHHRZ-NVXWUHKLSA-N 2 0 282.472 2.713 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000045664116 373026308 /nfs/dbraw/zinc/02/63/08/373026308.db2.gz YNKXBSVZIFIMLB-AWEZNQCLSA-N 2 0 264.413 2.996 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1sccc1Br ZINC000045697273 373030175 /nfs/dbraw/zinc/03/01/75/373030175.db2.gz MIFZVIRBGMCQFC-UHFFFAOYSA-N 2 0 291.258 2.942 20 0 CFADRP C[N@H+](CCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000048570615 373199844 /nfs/dbraw/zinc/19/98/44/373199844.db2.gz ZRFLICUDLBEMLS-SJPCQFCGSA-N 2 0 258.409 2.834 20 0 CFADRP COc1ccccc1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919500 373417732 /nfs/dbraw/zinc/41/77/32/373417732.db2.gz VYQWPAMXZSSZQC-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP [NH3+]CCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058032275 373625914 /nfs/dbraw/zinc/62/59/14/373625914.db2.gz NPIUMIBCOKKAJS-UHFFFAOYSA-N 2 0 275.421 2.825 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc(C)c1O ZINC000057994167 373620717 /nfs/dbraw/zinc/62/07/17/373620717.db2.gz RKQAMBBLCVULPG-ZDUSSCGKSA-N 2 0 276.424 2.831 20 0 CFADRP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000057993929 373620751 /nfs/dbraw/zinc/62/07/51/373620751.db2.gz LOTJDCITXPFLDY-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000057993930 373620763 /nfs/dbraw/zinc/62/07/63/373620763.db2.gz LOTJDCITXPFLDY-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000063158830 373788445 /nfs/dbraw/zinc/78/84/45/373788445.db2.gz VIVUWPVPOAIMBD-ZDUSSCGKSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@H](c1ccccn1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197564 373794082 /nfs/dbraw/zinc/79/40/82/373794082.db2.gz LVDSSLUEEXUCSI-CJNGLKHVSA-N 2 0 259.397 2.607 20 0 CFADRP Fc1ccc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197482 373795385 /nfs/dbraw/zinc/79/53/85/373795385.db2.gz HCXIVAQWFZHDKP-MRXNPFEDSA-N 2 0 280.362 2.929 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OC(F)F ZINC000571431288 383695101 /nfs/dbraw/zinc/69/51/01/383695101.db2.gz PVHSLMVVUCDAEJ-UWVGGRQHSA-N 2 0 288.338 2.512 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000070170531 374135121 /nfs/dbraw/zinc/13/51/21/374135121.db2.gz PLIVERPNCGMYSH-CQSZACIVSA-N 2 0 285.391 2.902 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169541 374135946 /nfs/dbraw/zinc/13/59/46/374135946.db2.gz VOKRSDXKRISJSK-ZIAGYGMSSA-N 2 0 262.397 2.817 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169413 374136162 /nfs/dbraw/zinc/13/61/62/374136162.db2.gz YPIKRYHPTOYUCN-CQSZACIVSA-N 2 0 262.397 2.646 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000070174575 374141775 /nfs/dbraw/zinc/14/17/75/374141775.db2.gz IJZLFNVDAHADJG-KGLIPLIRSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000070344095 374168896 /nfs/dbraw/zinc/16/88/96/374168896.db2.gz VCARMYLATNPUPJ-DOTOQJQBSA-N 2 0 276.424 2.666 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000070358651 374170388 /nfs/dbraw/zinc/17/03/88/374170388.db2.gz OBEKNFKHQRWUPW-GJZGRUSLSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000491025155 246035963 /nfs/dbraw/zinc/03/59/63/246035963.db2.gz VSXIGKKUXQHFML-LRDDRELGSA-N 2 0 278.827 2.955 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000070477313 374185148 /nfs/dbraw/zinc/18/51/48/374185148.db2.gz ZXXWRFXUSAPGSW-ZIAGYGMSSA-N 2 0 264.417 2.638 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC000070477311 374186303 /nfs/dbraw/zinc/18/63/03/374186303.db2.gz ZXXWRFXUSAPGSW-KGLIPLIRSA-N 2 0 264.417 2.638 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000070499599 374187495 /nfs/dbraw/zinc/18/74/95/374187495.db2.gz LGDJZTPJDNADLW-JWTNVVGKSA-N 2 0 270.420 2.890 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cscn2)CC1 ZINC000678114990 541954354 /nfs/dbraw/zinc/95/43/54/541954354.db2.gz SVAWVESTRWNVOA-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP CC(C)Oc1ncccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000048760502 541960471 /nfs/dbraw/zinc/96/04/71/541960471.db2.gz ZKXVLVMMIQMGFP-CQSZACIVSA-N 2 0 291.439 2.689 20 0 CFADRP C[C@@H](C1CC1)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678144581 541961846 /nfs/dbraw/zinc/96/18/46/541961846.db2.gz NCTAGGFDHMXRFN-AWEZNQCLSA-N 2 0 276.424 2.857 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCS1 ZINC000251224664 189969492 /nfs/dbraw/zinc/96/94/92/189969492.db2.gz OYESMMBNTXGHNQ-MGPQQGTHSA-N 2 0 256.459 2.782 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080509136 374658413 /nfs/dbraw/zinc/65/84/13/374658413.db2.gz AETCYFCKXBCSFS-UHFFFAOYSA-N 2 0 276.424 2.832 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083429117 374744409 /nfs/dbraw/zinc/74/44/09/374744409.db2.gz PNHHJGYTDLVSNX-OAHLLOKOSA-N 2 0 257.381 2.742 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000084220139 374769840 /nfs/dbraw/zinc/76/98/40/374769840.db2.gz WBRYKEGIVWYQLV-SCZZXKLOSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000089145782 374872698 /nfs/dbraw/zinc/87/26/98/374872698.db2.gz GZNORCOWLWSRRS-SMDDNHRTSA-N 2 0 254.324 2.572 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089139891 374873578 /nfs/dbraw/zinc/87/35/78/374873578.db2.gz YFPMMMIPZDEQGZ-GUTXKFCHSA-N 2 0 262.397 2.863 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089145325 374873591 /nfs/dbraw/zinc/87/35/91/374873591.db2.gz CLRHAOPXTAHJQA-WBVHZDCISA-N 2 0 281.488 2.748 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000089146003 374874922 /nfs/dbraw/zinc/87/49/22/374874922.db2.gz VLIGLZQXHFILOB-YGRLFVJLSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089147656 374875670 /nfs/dbraw/zinc/87/56/70/374875670.db2.gz XATZLTBNQNEHGO-TZMCWYRMSA-N 2 0 252.789 2.600 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000088163952 374834736 /nfs/dbraw/zinc/83/47/36/374834736.db2.gz AURLGBZTGABFNC-FFHGMXDLSA-N 2 0 259.397 2.748 20 0 CFADRP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1O ZINC000088164236 374835204 /nfs/dbraw/zinc/83/52/04/374835204.db2.gz LFOMWLIXFFGBAZ-GOOCMWNKSA-N 2 0 290.407 2.506 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000089549889 374923528 /nfs/dbraw/zinc/92/35/28/374923528.db2.gz XIHYFIHXNJGCME-RVKKMQEKSA-N 2 0 290.451 2.946 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092561136 375123447 /nfs/dbraw/zinc/12/34/47/375123447.db2.gz KNQYHWORHVXZCX-MSOLQXFVSA-N 2 0 295.515 2.820 20 0 CFADRP CCC(CC)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC(C)C ZINC000093309100 375206135 /nfs/dbraw/zinc/20/61/35/375206135.db2.gz FXPVSDNEXGSNRP-UHFFFAOYSA-N 2 0 282.432 2.910 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC000093402761 375228672 /nfs/dbraw/zinc/22/86/72/375228672.db2.gz ZHCAMBSOVYOJHV-MJBXVCDLSA-N 2 0 297.468 2.683 20 0 CFADRP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)CC(C)(C)C[NH3+] ZINC000093874340 375327923 /nfs/dbraw/zinc/32/79/23/375327923.db2.gz CRPMEECLCPYVPE-UHFFFAOYSA-N 2 0 298.814 2.528 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCCCC1 ZINC000093516711 375263295 /nfs/dbraw/zinc/26/32/95/375263295.db2.gz MKLFGBCINPAICH-GJZGRUSLSA-N 2 0 268.445 2.582 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000094950122 375396935 /nfs/dbraw/zinc/39/69/35/375396935.db2.gz WEUMGLZYOVWSAF-ALOPSCKCSA-N 2 0 276.399 2.891 20 0 CFADRP C[N@@H+](Cc1nc2ccccc2s1)CC1CC[NH2+]CC1 ZINC000094024267 375335394 /nfs/dbraw/zinc/33/53/94/375335394.db2.gz VOQLJRBQQCBWKD-UHFFFAOYSA-N 2 0 275.421 2.728 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338771 375351836 /nfs/dbraw/zinc/35/18/36/375351836.db2.gz MWGCYRJQHALMGT-CJNGLKHVSA-N 2 0 262.397 2.645 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094338772 375352199 /nfs/dbraw/zinc/35/21/99/375352199.db2.gz MWGCYRJQHALMGT-CZUORRHYSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094341263 375353804 /nfs/dbraw/zinc/35/38/04/375353804.db2.gz FOPAUCKFXIXOTP-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP COc1ccc(C[NH2+]CCCC[NH3+])c2ccccc12 ZINC000094692368 375372961 /nfs/dbraw/zinc/37/29/61/375372961.db2.gz HFKUULKAOLHWPD-UHFFFAOYSA-N 2 0 258.365 2.677 20 0 CFADRP COCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229207 375722618 /nfs/dbraw/zinc/72/26/18/375722618.db2.gz RXRIGHPRMQJSNT-MRXNPFEDSA-N 2 0 268.445 2.611 20 0 CFADRP CCOC(=O)CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229600 375722714 /nfs/dbraw/zinc/72/27/14/375722714.db2.gz MEHKETUERPDQED-MRXNPFEDSA-N 2 0 296.455 2.528 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000513697342 247225688 /nfs/dbraw/zinc/22/56/88/247225688.db2.gz MNUBRQNDNWWEPR-KSZLIROESA-N 2 0 288.435 2.836 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000104135352 375768696 /nfs/dbraw/zinc/76/86/96/375768696.db2.gz SKEPGMAOGKMSLH-JTQLQIEISA-N 2 0 254.324 2.524 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1F ZINC000104142165 375770388 /nfs/dbraw/zinc/77/03/88/375770388.db2.gz SRVAJAIHIKNCQO-GFCCVEGCSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000678609849 542054126 /nfs/dbraw/zinc/05/41/26/542054126.db2.gz YWWNKIBVYRZUEK-CWRNSKLLSA-N 2 0 282.472 2.900 20 0 CFADRP CCCCn1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000678698087 542059409 /nfs/dbraw/zinc/05/94/09/542059409.db2.gz MVNFCJVJLWBCLV-AWEZNQCLSA-N 2 0 292.471 2.812 20 0 CFADRP c1cc(N2CCC([NH2+]CCOC3CCCC3)CC2)cc[nH+]1 ZINC000111634482 375859933 /nfs/dbraw/zinc/85/99/33/375859933.db2.gz FFVLYOWEGMILLW-UHFFFAOYSA-N 2 0 289.423 2.599 20 0 CFADRP COCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113933863 376040759 /nfs/dbraw/zinc/04/07/59/376040759.db2.gz CEGPUFFQRUNYEN-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnc(C)c2)[C@H](C)C1 ZINC000119182688 376367389 /nfs/dbraw/zinc/36/73/89/376367389.db2.gz VQHFMUKGIPVTDP-DOMZBBRYSA-N 2 0 290.411 2.584 20 0 CFADRP C[N@H+](CCOC(C)(C)C)Cc1cccc2nccn21 ZINC000678834575 542080556 /nfs/dbraw/zinc/08/05/56/542080556.db2.gz FFJCJPNWCOJRAI-UHFFFAOYSA-N 2 0 261.369 2.581 20 0 CFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000119880995 376496167 /nfs/dbraw/zinc/49/61/67/376496167.db2.gz GCJAETPGIBMMPM-LRFDDAOPSA-N 2 0 296.842 2.646 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCO[C@H]1C ZINC000119932703 376508859 /nfs/dbraw/zinc/50/88/59/376508859.db2.gz WZVUTJBRQPCOFW-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)C1CC[NH+](C)CC1 ZINC000678926317 542093955 /nfs/dbraw/zinc/09/39/55/542093955.db2.gz HVPAZOAYDYPPAV-LLVKDONJSA-N 2 0 267.804 2.555 20 0 CFADRP C[C@H]([NH2+]C1(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000679031519 542112743 /nfs/dbraw/zinc/11/27/43/542112743.db2.gz DWQYKXHOJCGFNE-AWEZNQCLSA-N 2 0 258.409 2.996 20 0 CFADRP COC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000121267861 376794052 /nfs/dbraw/zinc/79/40/52/376794052.db2.gz HAMQEAKWJPXGAY-WBAXXEDZSA-N 2 0 288.435 2.522 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(CO)c1)C[NH+]1CCCCC1 ZINC000121351535 376812897 /nfs/dbraw/zinc/81/28/97/376812897.db2.gz LZYBZDIPOJUYNB-CVEARBPZSA-N 2 0 290.451 2.952 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000121376694 376817757 /nfs/dbraw/zinc/81/77/57/376817757.db2.gz XJMYBXDSZHJTLZ-HOCLYGCPSA-N 2 0 293.455 2.512 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000571669293 383716268 /nfs/dbraw/zinc/71/62/68/383716268.db2.gz DWZFSOZGUVHMSB-KBPBESRZSA-N 2 0 250.386 2.561 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121695695 376886111 /nfs/dbraw/zinc/88/61/11/376886111.db2.gz LJJKHRIATZPHOC-ZACQAIPSSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000131335338 284606926 /nfs/dbraw/zinc/60/69/26/284606926.db2.gz JXBMJYUWCXAMOG-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000345357662 284609334 /nfs/dbraw/zinc/60/93/34/284609334.db2.gz PTEJPOIPYFDKMV-SOUVJXGZSA-N 2 0 278.444 2.989 20 0 CFADRP Cc1ccccc1OCCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124759125 377084662 /nfs/dbraw/zinc/08/46/62/377084662.db2.gz FVSQYQGPEJTMBY-INIZCTEOSA-N 2 0 276.424 2.790 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000571696603 383718527 /nfs/dbraw/zinc/71/85/27/383718527.db2.gz CKLXSGFYOBZMQB-QZTJIDSGSA-N 2 0 290.451 2.820 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cn1 ZINC000125460259 377159077 /nfs/dbraw/zinc/15/90/77/377159077.db2.gz YPFICVBJROQQCC-AWEZNQCLSA-N 2 0 278.444 2.847 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C12CCC2 ZINC000125497183 377162600 /nfs/dbraw/zinc/16/26/00/377162600.db2.gz ACRYRFXITSRTPF-ARFHVFGLSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CCOCC1 ZINC000126023555 377208965 /nfs/dbraw/zinc/20/89/65/377208965.db2.gz NIKLEZREIFLLRY-DZGCQCFKSA-N 2 0 270.461 2.758 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000126215535 377216884 /nfs/dbraw/zinc/21/68/84/377216884.db2.gz OUVVUMALHXHMTG-INIZCTEOSA-N 2 0 292.398 2.971 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCOC1 ZINC000125973615 377204424 /nfs/dbraw/zinc/20/44/24/377204424.db2.gz WKYJXJSBAZEATQ-KFWWJZLASA-N 2 0 270.461 2.758 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccs1 ZINC000128365938 377331683 /nfs/dbraw/zinc/33/16/83/377331683.db2.gz MMTYABHPQPYVEX-OAHLLOKOSA-N 2 0 295.496 2.816 20 0 CFADRP FCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000127648642 377294992 /nfs/dbraw/zinc/29/49/92/377294992.db2.gz IEIKGEWEFQOOLD-HNNXBMFYSA-N 2 0 256.409 2.934 20 0 CFADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)COC1CCCCC1 ZINC000127786745 377302217 /nfs/dbraw/zinc/30/22/17/377302217.db2.gz ZSVLQTLQNPXEKF-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129026731 377374485 /nfs/dbraw/zinc/37/44/85/377374485.db2.gz VHPLIVZIDRGNLP-ZDUSSCGKSA-N 2 0 262.372 2.708 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC2 ZINC000129425067 377424508 /nfs/dbraw/zinc/42/45/08/377424508.db2.gz ZSLLHPGNJRRCAA-INIZCTEOSA-N 2 0 290.451 2.730 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129544568 377443247 /nfs/dbraw/zinc/44/32/47/377443247.db2.gz DBCJBCQUSNDYPA-ZNMIVQPWSA-N 2 0 292.423 2.535 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130167750 377519524 /nfs/dbraw/zinc/51/95/24/377519524.db2.gz YLLOWSDIZDAYTP-HZSPNIEDSA-N 2 0 264.438 2.896 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000358987426 284639551 /nfs/dbraw/zinc/63/95/51/284639551.db2.gz MIONQNRROABWGS-IRXDYDNUSA-N 2 0 282.472 2.927 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338015472 284640762 /nfs/dbraw/zinc/64/07/62/284640762.db2.gz ULRKNVYSUXNNLE-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC=CCC2)CC1 ZINC000679357389 542177628 /nfs/dbraw/zinc/17/76/28/542177628.db2.gz LSLGLABKJNSMMX-UHFFFAOYSA-N 2 0 299.462 2.981 20 0 CFADRP CCOc1cccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)n1 ZINC000130489896 377565391 /nfs/dbraw/zinc/56/53/91/377565391.db2.gz YUJSJKXJKGJKOE-GDBMZVCRSA-N 2 0 291.439 2.642 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000679394252 542186784 /nfs/dbraw/zinc/18/67/84/542186784.db2.gz ZYHJHRPGPYCGTN-BBRMVZONSA-N 2 0 262.397 2.554 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000340464697 284652916 /nfs/dbraw/zinc/65/29/16/284652916.db2.gz SETRRNQVYFMHJS-OAHLLOKOSA-N 2 0 270.461 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C)c2)[C@H](C)C1 ZINC000130721846 377600122 /nfs/dbraw/zinc/60/01/22/377600122.db2.gz DMIWXYXGOVUWSS-WBVHZDCISA-N 2 0 260.425 2.857 20 0 CFADRP COCC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000679575804 542210874 /nfs/dbraw/zinc/21/08/74/542210874.db2.gz RVOICSWJVMMPBD-DZGCQCFKSA-N 2 0 280.412 2.677 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)C[NH+]1CCCC1 ZINC000529531990 383721969 /nfs/dbraw/zinc/72/19/69/383721969.db2.gz OAOZRTDGPRQINA-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP c1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000130990535 377642120 /nfs/dbraw/zinc/64/21/20/377642120.db2.gz GXGZCUOZEZLLIN-JKSUJKDBSA-N 2 0 274.408 2.672 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000131144871 377665547 /nfs/dbraw/zinc/66/55/47/377665547.db2.gz SUJQBOVSCPTNSD-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CC[N@@H+]1C ZINC000131549619 377727134 /nfs/dbraw/zinc/72/71/34/377727134.db2.gz KMKNOQZQMPEHNO-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CCc4ccsc4C3)cn2)cn1 ZINC000132717640 377869284 /nfs/dbraw/zinc/86/92/84/377869284.db2.gz QQVNWKSBPPDRFC-UHFFFAOYSA-N 2 0 296.399 2.887 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679722973 542230922 /nfs/dbraw/zinc/23/09/22/542230922.db2.gz ITXVDEKHZUDIDV-PMPSAXMXSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)CC(C)C ZINC000132908953 377886961 /nfs/dbraw/zinc/88/69/61/377886961.db2.gz AQAPHDXNJNMZIE-BRWVUGGUSA-N 2 0 283.504 2.815 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)CC(C)C ZINC000132909324 377887059 /nfs/dbraw/zinc/88/70/59/377887059.db2.gz AQAPHDXNJNMZIE-IXDOHACOSA-N 2 0 283.504 2.815 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000133089384 377902127 /nfs/dbraw/zinc/90/21/27/377902127.db2.gz YLAXPISGWMLVKI-RDJZCZTQSA-N 2 0 260.425 2.797 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000133968166 377972879 /nfs/dbraw/zinc/97/28/79/377972879.db2.gz KMLQFHLXRCKCLG-MQYQWHSLSA-N 2 0 256.459 2.590 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529536895 383724374 /nfs/dbraw/zinc/72/43/74/383724374.db2.gz AAJKOVZFFKDRJG-LBPRGKRZSA-N 2 0 290.398 2.511 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000348371763 284691047 /nfs/dbraw/zinc/69/10/47/284691047.db2.gz HTBHTVSCBGNCBE-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CN1C1CC1 ZINC000151085297 378292201 /nfs/dbraw/zinc/29/22/01/378292201.db2.gz BCUDYJKXDHYLTE-JSGCOSHPSA-N 2 0 269.392 2.883 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC)[C@@H](C)C1 ZINC000152167609 378401310 /nfs/dbraw/zinc/40/13/10/378401310.db2.gz KWBGRVBBAKEYLK-KKUMJFAQSA-N 2 0 256.434 2.512 20 0 CFADRP C(C[NH+]1C[C@@H]2CCC[C@H]2C1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152879873 378454955 /nfs/dbraw/zinc/45/49/55/378454955.db2.gz JYVBQSUPTFPPNQ-LUKYLMHMSA-N 2 0 262.441 2.840 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000152615490 378432987 /nfs/dbraw/zinc/43/29/87/378432987.db2.gz PYUKKVWAUGCMDN-AEFFLSMTSA-N 2 0 293.499 2.594 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000152664865 378437585 /nfs/dbraw/zinc/43/75/85/378437585.db2.gz KOQFJIZMOMHICD-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2CCCC2)CC1 ZINC000153934828 378524518 /nfs/dbraw/zinc/52/45/18/378524518.db2.gz TXIXIIXYRMIUQU-CALCHBBNSA-N 2 0 293.499 2.667 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)cn2)C1 ZINC000154263106 378552808 /nfs/dbraw/zinc/55/28/08/378552808.db2.gz IBJYMVDDWQWNBU-OAHLLOKOSA-N 2 0 261.413 2.554 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccs1 ZINC000154377548 378561541 /nfs/dbraw/zinc/56/15/41/378561541.db2.gz AWFLVBSUUPJINA-OAHLLOKOSA-N 2 0 295.496 2.816 20 0 CFADRP Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000154038048 378532995 /nfs/dbraw/zinc/53/29/95/378532995.db2.gz UPQZCZKZHVAVFP-SJLPKXTDSA-N 2 0 285.435 2.839 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000156165987 378637310 /nfs/dbraw/zinc/63/73/10/378637310.db2.gz AQUHWDPZYIKSGM-NJAFHUGGSA-N 2 0 289.467 2.609 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000155127054 378613473 /nfs/dbraw/zinc/61/34/73/378613473.db2.gz FFIKOBFNFOWHOJ-UONOGXRCSA-N 2 0 295.496 2.597 20 0 CFADRP COC[C@H](C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000155407504 378625185 /nfs/dbraw/zinc/62/51/85/378625185.db2.gz ZMDROMVDXCEUIF-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000331483170 378693977 /nfs/dbraw/zinc/69/39/77/378693977.db2.gz FAGFULDQBFDORK-LERXQTSPSA-N 2 0 265.401 2.645 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000331800578 378716129 /nfs/dbraw/zinc/71/61/29/378716129.db2.gz JWYBQTIYPMJWFI-IJLUTSLNSA-N 2 0 279.453 2.942 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000333184662 378818956 /nfs/dbraw/zinc/81/89/56/378818956.db2.gz SQWLHDBERPVFME-HUUCEWRRSA-N 2 0 267.461 2.548 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccn1C ZINC000161662367 378863576 /nfs/dbraw/zinc/86/35/76/378863576.db2.gz BXGXQNZZAUFAOB-OAHLLOKOSA-N 2 0 263.429 2.769 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000161734724 378868535 /nfs/dbraw/zinc/86/85/35/378868535.db2.gz XKUZBXKBSWELDL-ROUUACIJSA-N 2 0 293.499 2.811 20 0 CFADRP FC1(F)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000334185797 378902144 /nfs/dbraw/zinc/90/21/44/378902144.db2.gz CEQFDIDBGXRMOG-CHWSQXEVSA-N 2 0 258.356 2.781 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000162647303 378922946 /nfs/dbraw/zinc/92/29/46/378922946.db2.gz APFFWDBXTLVGAJ-IXDOHACOSA-N 2 0 273.424 2.790 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000163481591 378976626 /nfs/dbraw/zinc/97/66/26/378976626.db2.gz XXMZLXFMAXGXKB-OLZOCXBDSA-N 2 0 258.365 2.850 20 0 CFADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000162952686 378944621 /nfs/dbraw/zinc/94/46/21/378944621.db2.gz KQVINAXQHYNZDC-HOTGVXAUSA-N 2 0 290.455 2.658 20 0 CFADRP C1C[C@@H]2C[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[N@@H+]2C1 ZINC000334226074 378949533 /nfs/dbraw/zinc/94/95/33/378949533.db2.gz MTNAXEIHQQBQCE-DLBZAZTESA-N 2 0 292.467 2.942 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000163271984 378961949 /nfs/dbraw/zinc/96/19/49/378961949.db2.gz CKZUPWDRNPJIGE-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000163395900 378969704 /nfs/dbraw/zinc/96/97/04/378969704.db2.gz UEERETGLDYSLDS-QGPPMGRFSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000163417265 378971419 /nfs/dbraw/zinc/97/14/19/378971419.db2.gz UKXQVMHKPRGBSX-QMTHXVAHSA-N 2 0 252.427 2.782 20 0 CFADRP C[N@@H+]1CCCC12CC[NH+](CCc1ccccc1)CC2 ZINC000334243768 378972741 /nfs/dbraw/zinc/97/27/41/378972741.db2.gz PVGSYOWYHILBCW-UHFFFAOYSA-N 2 0 258.409 2.789 20 0 CFADRP COCCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000163614280 378982856 /nfs/dbraw/zinc/98/28/56/378982856.db2.gz ULMHFYDUEXJOGB-QGZVFWFLSA-N 2 0 276.424 2.619 20 0 CFADRP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335270261 378998058 /nfs/dbraw/zinc/99/80/58/378998058.db2.gz UBRQGJRWOPYLMP-IYBDPMFKSA-N 2 0 296.418 2.508 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1F)CC[NH2+]CC2 ZINC000335275524 379009752 /nfs/dbraw/zinc/00/97/52/379009752.db2.gz CDZPNLPNZIAZNK-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP Cc1ccc(CNC2CC[NH2+]CC2)c(Br)c1 ZINC000335278784 379016352 /nfs/dbraw/zinc/01/63/52/379016352.db2.gz PDQNFPQEVIXVQI-UHFFFAOYSA-N 2 0 283.213 2.599 20 0 CFADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000421827856 284739622 /nfs/dbraw/zinc/73/96/22/284739622.db2.gz ZVEFMNVDNCEOSS-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000278640136 194080577 /nfs/dbraw/zinc/08/05/77/194080577.db2.gz HTBWELXBAXMWHE-HNNXBMFYSA-N 2 0 276.428 2.728 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335282119 379022318 /nfs/dbraw/zinc/02/23/18/379022318.db2.gz RJDGCGGORQNTTB-LBPRGKRZSA-N 2 0 277.412 2.509 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000335282222 379022785 /nfs/dbraw/zinc/02/27/85/379022785.db2.gz URUFSWIEUBJFEL-ZDUSSCGKSA-N 2 0 292.398 2.798 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000165956435 379046262 /nfs/dbraw/zinc/04/62/62/379046262.db2.gz XNIOIKBRWSLRAW-NVXWUHKLSA-N 2 0 276.424 2.696 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000165978000 379047302 /nfs/dbraw/zinc/04/73/02/379047302.db2.gz DATAJUSJPGJBNX-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000335304653 379049154 /nfs/dbraw/zinc/04/91/54/379049154.db2.gz XFLAUPLDOXWNAA-VXGBXAGGSA-N 2 0 260.372 2.790 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000166066368 379049302 /nfs/dbraw/zinc/04/93/02/379049302.db2.gz KTZSQORHBLLJSQ-DZGCQCFKSA-N 2 0 282.428 2.849 20 0 CFADRP [NH3+]C[C@H]1CCCN1Cc1cc(Cl)cc2cccnc21 ZINC000335335206 379111424 /nfs/dbraw/zinc/11/14/24/379111424.db2.gz GSLUGVUSUSWWSJ-CQSZACIVSA-N 2 0 275.783 2.811 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000571872877 383734385 /nfs/dbraw/zinc/73/43/85/383734385.db2.gz JRPZHEJEPCWPSN-HOCLYGCPSA-N 2 0 261.413 2.697 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C/C=C/c2ccncc2)C1 ZINC000334428516 379280942 /nfs/dbraw/zinc/28/09/42/379280942.db2.gz SNOJNERNLUQHOL-GYEHXSMASA-N 2 0 271.408 2.511 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000334452250 379322815 /nfs/dbraw/zinc/32/28/15/379322815.db2.gz XZRKSFHVMQFIJG-MLGOLLRUSA-N 2 0 287.382 2.946 20 0 CFADRP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335463619 379339870 /nfs/dbraw/zinc/33/98/70/379339870.db2.gz YVPBQEIZBYUJQU-CQSZACIVSA-N 2 0 295.224 2.636 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171390525 379297144 /nfs/dbraw/zinc/29/71/44/379297144.db2.gz BDYZKFNCAHQDHY-SFHVURJKSA-N 2 0 290.451 2.772 20 0 CFADRP CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000335520295 379443636 /nfs/dbraw/zinc/44/36/36/379443636.db2.gz QPZRNAZODQJKKR-TZMCWYRMSA-N 2 0 262.397 2.882 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000571902164 383737733 /nfs/dbraw/zinc/73/77/33/383737733.db2.gz WHTGADJIHCTZGI-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551575 379496742 /nfs/dbraw/zinc/49/67/42/379496742.db2.gz JSXMAESTVYEJMD-LBPRGKRZSA-N 2 0 271.191 2.790 20 0 CFADRP CCc1cccc(F)c1CN1CCC2(CC[NH2+]2)CC1 ZINC000334588039 379581417 /nfs/dbraw/zinc/58/14/17/379581417.db2.gz QSFZMZXOBXFQSH-UHFFFAOYSA-N 2 0 262.372 2.716 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000335633580 379631945 /nfs/dbraw/zinc/63/19/45/379631945.db2.gz KLRHHVQAPQOYRD-ZIAGYGMSSA-N 2 0 250.411 2.570 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635220 379636521 /nfs/dbraw/zinc/63/65/21/379636521.db2.gz RYAKBWVKNQAAKG-KGLIPLIRSA-N 2 0 264.438 2.878 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635221 379637213 /nfs/dbraw/zinc/63/72/13/379637213.db2.gz RYAKBWVKNQAAKG-UONOGXRCSA-N 2 0 264.438 2.878 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1F ZINC000335637157 379639835 /nfs/dbraw/zinc/63/98/35/379639835.db2.gz WPNOJPKGACVTDW-STQMWFEESA-N 2 0 280.362 2.786 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[NH2+]1 ZINC000335641024 379647705 /nfs/dbraw/zinc/64/77/05/379647705.db2.gz PRERCACCQQXXPV-DGCLKSJQSA-N 2 0 273.355 2.604 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000173889442 379795328 /nfs/dbraw/zinc/79/53/28/379795328.db2.gz HOMACKPACYRZQR-KRWDZBQOSA-N 2 0 260.425 2.893 20 0 CFADRP COC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000174002083 379812830 /nfs/dbraw/zinc/81/28/30/379812830.db2.gz PTSSLBOKXVXYFG-HNNXBMFYSA-N 2 0 276.424 2.523 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1CCC1 ZINC000335033277 379958727 /nfs/dbraw/zinc/95/87/27/379958727.db2.gz FOJTZJRKKHWHCM-DOTOQJQBSA-N 2 0 272.392 2.632 20 0 CFADRP Cc1cc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)ccc1F ZINC000335206172 380006127 /nfs/dbraw/zinc/00/61/27/380006127.db2.gz QBEKLYIJYRPOPU-KRWDZBQOSA-N 2 0 292.398 2.507 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000335253670 380087905 /nfs/dbraw/zinc/08/79/05/380087905.db2.gz TTYMVNIOEXCOPK-UHFFFAOYSA-N 2 0 290.455 2.833 20 0 CFADRP c1cc2n(c1)CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]2c1ccccc1 ZINC000336053416 380258517 /nfs/dbraw/zinc/25/85/17/380258517.db2.gz SBZFFCUJZXZGHD-LJQANCHMSA-N 2 0 295.430 2.893 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000336005198 380224231 /nfs/dbraw/zinc/22/42/31/380224231.db2.gz XXDLXQBCBHSZKB-ZDUSSCGKSA-N 2 0 259.328 2.504 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177212945 380317202 /nfs/dbraw/zinc/31/72/02/380317202.db2.gz MXFCRMGRNQZAEN-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C1CCCCC1 ZINC000177211590 380317279 /nfs/dbraw/zinc/31/72/79/380317279.db2.gz QVQSFNFXFPRNBV-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP COCC1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CCC1 ZINC000261610948 284824474 /nfs/dbraw/zinc/82/44/74/284824474.db2.gz SKFAMUBBJYCEHP-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000336268414 380304113 /nfs/dbraw/zinc/30/41/13/380304113.db2.gz JKWZEWZXIOMUPH-KBPBESRZSA-N 2 0 272.383 2.840 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861455 284824923 /nfs/dbraw/zinc/82/49/23/284824923.db2.gz MRQQVLIRZDLAFR-FVQBIDKESA-N 2 0 295.496 2.861 20 0 CFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000177206923 380314540 /nfs/dbraw/zinc/31/45/40/380314540.db2.gz DTGIYKDAFRBDRZ-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1C ZINC000178501500 380457843 /nfs/dbraw/zinc/45/78/43/380457843.db2.gz BZNOOWLWNACEGW-QAPCUYQASA-N 2 0 298.434 2.504 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000178400138 380448861 /nfs/dbraw/zinc/44/88/61/380448861.db2.gz WOPAGGZWVYVFBW-IUODEOHRSA-N 2 0 280.460 2.746 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccoc1 ZINC000178041497 380404209 /nfs/dbraw/zinc/40/42/09/380404209.db2.gz YNPXWHKSLZWJNQ-ZNMIVQPWSA-N 2 0 280.412 2.820 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc2c1OCO2 ZINC000178972203 380496193 /nfs/dbraw/zinc/49/61/93/380496193.db2.gz LAGCHZSUCFVWQO-OAHLLOKOSA-N 2 0 288.391 2.552 20 0 CFADRP c1csc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178956086 380496776 /nfs/dbraw/zinc/49/67/76/380496776.db2.gz SGPZPESVDYSRBW-OAHLLOKOSA-N 2 0 294.464 2.729 20 0 CFADRP COCCC[C@H](C)[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000178509813 380459750 /nfs/dbraw/zinc/45/97/50/380459750.db2.gz AFJNQMAOGIMRQL-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP C[NH+](CCOCC[N@@H+](C)C1CCCC1)C1CCCC1 ZINC000178592426 380468749 /nfs/dbraw/zinc/46/87/49/380468749.db2.gz WXUWBPVUJYXRBH-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)n1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000179551128 380557217 /nfs/dbraw/zinc/55/72/17/380557217.db2.gz DEWIUXZYZHZSEK-UHFFFAOYSA-N 2 0 278.444 2.628 20 0 CFADRP Cc1[nH+]ccc(NC[C@H](C)C[NH+]2CCCC2)c1Cl ZINC000336791651 380638367 /nfs/dbraw/zinc/63/83/67/380638367.db2.gz OIZNDDMHXXOOLD-NSHDSACASA-N 2 0 267.804 2.609 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCSC(C)C)CC1 ZINC000336714667 380605807 /nfs/dbraw/zinc/60/58/07/380605807.db2.gz SCYWPCHDBVMJKI-UHFFFAOYSA-N 2 0 258.475 2.934 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2scnc2C)C[C@@H]1C ZINC000336801615 380654847 /nfs/dbraw/zinc/65/48/47/380654847.db2.gz QSMIKLNNOAEJGY-JSGCOSHPSA-N 2 0 281.469 2.799 20 0 CFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000295343013 380800374 /nfs/dbraw/zinc/80/03/74/380800374.db2.gz BKPMKTPYNCBXRH-QGZVFWFLSA-N 2 0 297.402 2.695 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1(CC)CC ZINC000181527183 380816728 /nfs/dbraw/zinc/81/67/28/380816728.db2.gz OPFVAYHAXLCHEK-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1(CC)CC ZINC000181527163 380818018 /nfs/dbraw/zinc/81/80/18/380818018.db2.gz OPFVAYHAXLCHEK-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP CSCC1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400729956 380864733 /nfs/dbraw/zinc/86/47/33/380864733.db2.gz QHGAZAWQLIORLH-ABXWRUBCSA-N 2 0 256.459 2.638 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000181698922 380865852 /nfs/dbraw/zinc/86/58/52/380865852.db2.gz UVJGFVRODLFXNP-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000400986826 380866724 /nfs/dbraw/zinc/86/67/24/380866724.db2.gz ZNFJGXLRDBDKRI-OIMNJJJWSA-N 2 0 250.411 2.787 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401003904 380867144 /nfs/dbraw/zinc/86/71/44/380867144.db2.gz ILVMBVZQEBJVSS-JLNYLFASSA-N 2 0 260.381 2.635 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401068156 380869449 /nfs/dbraw/zinc/86/94/49/380869449.db2.gz JFZJJCNSHILXBO-KVDYFSNESA-N 2 0 282.497 2.886 20 0 CFADRP CCC[N@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH2+]CC1 ZINC000347004415 380870636 /nfs/dbraw/zinc/87/06/36/380870636.db2.gz NRWVKGYFJVOVKD-UHFFFAOYSA-N 2 0 272.396 2.527 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346974202 380835548 /nfs/dbraw/zinc/83/55/48/380835548.db2.gz IQWQQEDOVJNJDQ-INMHGKMJSA-N 2 0 258.409 2.864 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2NCC3)[C@H](C)C1 ZINC000346982283 380844372 /nfs/dbraw/zinc/84/43/72/380844372.db2.gz NDPSPSIWRJLVHU-RHSMWYFYSA-N 2 0 287.451 2.817 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346986032 380849870 /nfs/dbraw/zinc/84/98/70/380849870.db2.gz RMPFYJYZGIROFT-VYDXJSESSA-N 2 0 258.409 2.864 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000358456185 380855904 /nfs/dbraw/zinc/85/59/04/380855904.db2.gz AWHKYMWEWCWILM-BVIKNXMNSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+]CCCn1ccc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400439503 380858692 /nfs/dbraw/zinc/85/86/92/380858692.db2.gz MASDZTRFFAQDPA-HOCLYGCPSA-N 2 0 271.408 2.762 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400443337 380859150 /nfs/dbraw/zinc/85/91/50/380859150.db2.gz MZCVBPUDEPQVQF-BFYDXBDKSA-N 2 0 276.424 2.712 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000400434772 380859273 /nfs/dbraw/zinc/85/92/73/380859273.db2.gz KXXHITMWAUXMEV-INMHGKMJSA-N 2 0 276.424 2.569 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000358561242 380926849 /nfs/dbraw/zinc/92/68/49/380926849.db2.gz GCEUKJYIFGLODM-PMPSAXMXSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000347086751 380929261 /nfs/dbraw/zinc/92/92/61/380929261.db2.gz FCERZGNPSQPGPB-CYBMUJFWSA-N 2 0 284.407 2.636 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000181740451 380881704 /nfs/dbraw/zinc/88/17/04/380881704.db2.gz UPMPZKGYYLQYJB-IKGGRYGDSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000181746076 380883550 /nfs/dbraw/zinc/88/35/50/380883550.db2.gz GRYIZVGWHKNKSB-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181757126 380886698 /nfs/dbraw/zinc/88/66/98/380886698.db2.gz BGDHVEDKXLOECO-KBPBESRZSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000402565802 380887871 /nfs/dbraw/zinc/88/78/71/380887871.db2.gz MCWYBVUWAFXXAQ-GRYCIOLGSA-N 2 0 266.351 2.895 20 0 CFADRP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH3+])C3)s2)cc1 ZINC000347031552 380892950 /nfs/dbraw/zinc/89/29/50/380892950.db2.gz ADQJXNRDPAFAKW-CYBMUJFWSA-N 2 0 287.432 2.899 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512967 380895088 /nfs/dbraw/zinc/89/50/88/380895088.db2.gz UTPFUNVAKBAZFP-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)COc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000347066270 380919118 /nfs/dbraw/zinc/91/91/18/380919118.db2.gz LOHLDLWOBCDMDL-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347071537 380921421 /nfs/dbraw/zinc/92/14/21/380921421.db2.gz QFQHFVKXSCGFJC-OAHLLOKOSA-N 2 0 267.376 2.529 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000368213407 380956480 /nfs/dbraw/zinc/95/64/80/380956480.db2.gz ALJKOGDKVYKIGU-HNNXBMFYSA-N 2 0 282.497 2.936 20 0 CFADRP CSC1(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CCC1 ZINC000368228327 380962550 /nfs/dbraw/zinc/96/25/50/380962550.db2.gz VQRBZSOUWTVTSI-ILXRZTDVSA-N 2 0 280.481 2.688 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000353928144 380963081 /nfs/dbraw/zinc/96/30/81/380963081.db2.gz BQJNHVNNDISZIS-CYBMUJFWSA-N 2 0 270.461 2.615 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000353929597 380964185 /nfs/dbraw/zinc/96/41/85/380964185.db2.gz NHKOFYHFBZHXOT-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353954561 380985507 /nfs/dbraw/zinc/98/55/07/380985507.db2.gz JRJBFIVGIWGLNM-WDEREUQCSA-N 2 0 264.335 2.649 20 0 CFADRP C[N@H+](Cc1cccc(-n2cccn2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347142638 380968230 /nfs/dbraw/zinc/96/82/30/380968230.db2.gz WWXZSMMIWZZHNM-BYICEURKSA-N 2 0 296.418 2.587 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000368265215 380975628 /nfs/dbraw/zinc/97/56/28/380975628.db2.gz RCUWXYRDYXYPGA-OWCLPIDISA-N 2 0 287.451 2.740 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000347100712 380937106 /nfs/dbraw/zinc/93/71/06/380937106.db2.gz LXHSNJOMQSMCSP-UHFFFAOYSA-N 2 0 298.377 2.762 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347110146 380944419 /nfs/dbraw/zinc/94/44/19/380944419.db2.gz PWMARVWVRFZTPB-GFCCVEGCSA-N 2 0 274.339 2.866 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(F)cn1 ZINC000287809495 380945223 /nfs/dbraw/zinc/94/52/23/380945223.db2.gz UPOGNUFHWGNATO-GFCCVEGCSA-N 2 0 295.402 2.612 20 0 CFADRP CC(C)OC1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000368442088 381026165 /nfs/dbraw/zinc/02/61/65/381026165.db2.gz NWPLUNOWBBDCKB-UHFFFAOYSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000295703251 381026552 /nfs/dbraw/zinc/02/65/52/381026552.db2.gz MLXWJPHJUCUGMV-IAQYHMDHSA-N 2 0 282.428 2.728 20 0 CFADRP Oc1ccc(CC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000368445434 381027399 /nfs/dbraw/zinc/02/73/99/381027399.db2.gz KXZBRGOKOAXTME-UHFFFAOYSA-N 2 0 288.435 2.931 20 0 CFADRP C[NH2+]C[C@@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000347189420 380991208 /nfs/dbraw/zinc/99/12/08/380991208.db2.gz DJMHPMZPYZQOHZ-ZDUSSCGKSA-N 2 0 287.432 2.851 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000347201499 381000500 /nfs/dbraw/zinc/00/05/00/381000500.db2.gz KANUMNXNOUTOEW-MAUKXSAKSA-N 3 0 298.434 2.692 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000347285849 381048730 /nfs/dbraw/zinc/04/87/30/381048730.db2.gz DSNAJDBQLWBJNU-OLZOCXBDSA-N 2 0 252.377 2.859 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCO2 ZINC000182306643 381057836 /nfs/dbraw/zinc/05/78/36/381057836.db2.gz JLPFUYLJWJFSOM-TZMCWYRMSA-N 2 0 276.380 2.550 20 0 CFADRP CC(C)(CCCO)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000368583771 381074220 /nfs/dbraw/zinc/07/42/20/381074220.db2.gz PUWJALJJUADTBD-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000358755252 381059795 /nfs/dbraw/zinc/05/97/95/381059795.db2.gz NWQQFMQORZMZSC-INIZCTEOSA-N 2 0 290.455 2.509 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000295735090 381042968 /nfs/dbraw/zinc/04/29/68/381042968.db2.gz OMPRQFOAFMWLKV-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000368609029 381082742 /nfs/dbraw/zinc/08/27/42/381082742.db2.gz USQLJKSDFDXXAP-BHYGNILZSA-N 2 0 276.399 2.831 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000368609032 381083745 /nfs/dbraw/zinc/08/37/45/381083745.db2.gz USQLJKSDFDXXAP-XIRDDKMYSA-N 2 0 276.399 2.831 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1nccn1C ZINC000182454870 381090560 /nfs/dbraw/zinc/09/05/60/381090560.db2.gz SGXOCTAFJCQSJY-INIZCTEOSA-N 2 0 292.471 2.973 20 0 CFADRP CC[NH+](CC)CCN(CCOC)c1cc[nH+]c(C)c1Cl ZINC000354164012 381116423 /nfs/dbraw/zinc/11/64/23/381116423.db2.gz OKDRMRFUGTZYEC-UHFFFAOYSA-N 2 0 299.846 2.838 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354166502 381118268 /nfs/dbraw/zinc/11/82/68/381118268.db2.gz LMZHWYBUJRSJQH-WMZOPIPTSA-N 2 0 294.483 2.857 20 0 CFADRP Cc1ncsc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354100752 381078234 /nfs/dbraw/zinc/07/82/34/381078234.db2.gz ONOGMCDUGDRZRB-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP COc1cc2c(NCC[N@H+](C)C3CC3)cc[nH+]c2cc1F ZINC000358924617 381158510 /nfs/dbraw/zinc/15/85/10/381158510.db2.gz CUKKUZRHDJMHCU-UHFFFAOYSA-N 2 0 289.354 2.889 20 0 CFADRP CC[NH+](CC)CC1CCN(c2cc[nH+]cc2C)CC1 ZINC000358930912 381162435 /nfs/dbraw/zinc/16/24/35/381162435.db2.gz JWCYBNHIZZOCBW-UHFFFAOYSA-N 2 0 261.413 2.948 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000182958090 381191054 /nfs/dbraw/zinc/19/10/54/381191054.db2.gz GYTNXHWGLLDTCR-ROUUACIJSA-N 2 0 293.499 2.526 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369420394 381256574 /nfs/dbraw/zinc/25/65/74/381256574.db2.gz UTDASMRIVWPTAG-FGTMMUONSA-N 2 0 294.483 2.999 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000359038223 381228101 /nfs/dbraw/zinc/22/81/01/381228101.db2.gz RCRKECDZBZLTCI-JQHSSLGASA-N 2 0 290.451 2.564 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000183200035 381234706 /nfs/dbraw/zinc/23/47/06/381234706.db2.gz FOHQFDDBVHUNAI-OWTLIXCDSA-N 2 0 281.469 2.873 20 0 CFADRP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359190245 381287152 /nfs/dbraw/zinc/28/71/52/381287152.db2.gz NCIDQARVTPTGQJ-INIZCTEOSA-N 2 0 290.455 2.564 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000359225897 381296986 /nfs/dbraw/zinc/29/69/86/381296986.db2.gz VCKUXQOHSQVVBA-YJBOKZPZSA-N 2 0 288.435 2.838 20 0 CFADRP CCC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000359229563 381299510 /nfs/dbraw/zinc/29/95/10/381299510.db2.gz YBFYJGNLELNJDH-GVDBMIGSSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccco2)CC1 ZINC000359116217 381274609 /nfs/dbraw/zinc/27/46/09/381274609.db2.gz PRBHTOZTKWNGLG-UHFFFAOYSA-N 2 0 250.386 2.675 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000347736324 381326228 /nfs/dbraw/zinc/32/62/28/381326228.db2.gz GDLRLGMFSMATDN-QAPCUYQASA-N 2 0 289.467 2.567 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000290189966 381335718 /nfs/dbraw/zinc/33/57/18/381335718.db2.gz ZZVHQHSTALNQPX-UHFFFAOYSA-N 2 0 290.455 2.608 20 0 CFADRP CCN(Cc1cncn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183753714 381315814 /nfs/dbraw/zinc/31/58/14/381315814.db2.gz CVCSURBYYJCGHC-KRWDZBQOSA-N 2 0 298.434 2.517 20 0 CFADRP C([NH2+][C@H]1CCSC1)[C@H]1CCCN1C1CCCCC1 ZINC000369722626 381320651 /nfs/dbraw/zinc/32/06/51/381320651.db2.gz SMSXIAYOECNTCW-DZGCQCFKSA-N 2 0 268.470 2.879 20 0 CFADRP Nc1cccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000359316562 381345400 /nfs/dbraw/zinc/34/54/00/381345400.db2.gz XCJXRTSETSJRGL-UHFFFAOYSA-N 2 0 269.392 2.620 20 0 CFADRP Cc1cnc(CN2CCC[C@@H]2CNc2cccc(C)n2)o1 ZINC000369900878 381349343 /nfs/dbraw/zinc/34/93/43/381349343.db2.gz RHXUTFPNSIVSBE-CQSZACIVSA-N 2 0 286.379 2.763 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(F)cccc1CC ZINC000354581222 381351702 /nfs/dbraw/zinc/35/17/02/381351702.db2.gz WULJDNHYXMVBNP-OAHLLOKOSA-N 2 0 296.430 2.835 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000296364758 381363306 /nfs/dbraw/zinc/36/33/06/381363306.db2.gz JPRTXOQHZYHSJO-UHFFFAOYSA-N 2 0 289.423 2.644 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000370130252 381388863 /nfs/dbraw/zinc/38/88/63/381388863.db2.gz CNFAQTLZYHBROS-OKZBNKHCSA-N 2 0 290.451 2.533 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(CCCc2cnccc2C)C[C@@H]1C ZINC000347870006 381391496 /nfs/dbraw/zinc/39/14/96/381391496.db2.gz FMWFNQMWYHLDCJ-HOTGVXAUSA-N 2 0 275.440 2.737 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(CCCc2cnccc2C)C[C@H]1C ZINC000347870007 381392040 /nfs/dbraw/zinc/39/20/40/381392040.db2.gz FMWFNQMWYHLDCJ-HZPDHXFCSA-N 2 0 275.440 2.737 20 0 CFADRP Cc1ccccc1OCC[NH+]1CCC(n2ccnc2)CC1 ZINC000370191399 381401915 /nfs/dbraw/zinc/40/19/15/381401915.db2.gz LLFZULCYCQPKEP-UHFFFAOYSA-N 2 0 285.391 2.907 20 0 CFADRP Cc1ccc(F)c(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290494790 381450579 /nfs/dbraw/zinc/45/05/79/381450579.db2.gz OTWJSVHWVCYPMT-CZUORRHYSA-N 2 0 264.388 2.906 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000348262740 381475614 /nfs/dbraw/zinc/47/56/14/381475614.db2.gz KGSHKJOJVQYFQY-MHORFTMASA-N 2 0 293.499 2.808 20 0 CFADRP COCCN1CC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000342689792 381479815 /nfs/dbraw/zinc/47/98/15/381479815.db2.gz OLUFXWNDLHILHS-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1c[nH+]ccc1N1CCC([NH2+]C2CCCC2)CC1 ZINC000370554244 381468049 /nfs/dbraw/zinc/46/80/49/381468049.db2.gz NHWSDICIICRVIN-UHFFFAOYSA-N 2 0 259.397 2.891 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)[C@H](C)C1 ZINC000342735936 381509382 /nfs/dbraw/zinc/50/93/82/381509382.db2.gz PVSNUECPJDJKCQ-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332050 381511776 /nfs/dbraw/zinc/51/17/76/381511776.db2.gz TWGDPZXTAJKTOQ-CALCHBBNSA-N 2 0 258.409 2.706 20 0 CFADRP COc1ccccc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000290591133 381491205 /nfs/dbraw/zinc/49/12/05/381491205.db2.gz VHKXRPZYUPVZCC-GOEBONIOSA-N 2 0 274.408 2.611 20 0 CFADRP CC[N@H+](CCCc1cnccc1C)C[C@H]1CCCO1 ZINC000289049676 197221135 /nfs/dbraw/zinc/22/11/35/197221135.db2.gz IFXMWCGACXQWAS-MRXNPFEDSA-N 2 0 262.397 2.824 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342838508 381577255 /nfs/dbraw/zinc/57/72/55/381577255.db2.gz OSIDWPWGKDDNGA-HOCLYGCPSA-N 2 0 288.435 2.905 20 0 CFADRP CCSCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298028795 381577900 /nfs/dbraw/zinc/57/79/00/381577900.db2.gz FPLMSMNJBXVYHG-UHFFFAOYSA-N 2 0 279.453 2.783 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000359686281 381556887 /nfs/dbraw/zinc/55/68/87/381556887.db2.gz GDFNDQOTUAEDBJ-KRWDZBQOSA-N 2 0 276.424 2.573 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1(C)C ZINC000185185484 381557756 /nfs/dbraw/zinc/55/77/56/381557756.db2.gz AEXGMBZZEZOGFF-KGLIPLIRSA-N 2 0 270.461 2.756 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000185196934 381561372 /nfs/dbraw/zinc/56/13/72/381561372.db2.gz UPUTZNRYVLIPHM-BPUTZDHNSA-N 2 0 280.456 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000185200628 381563130 /nfs/dbraw/zinc/56/31/30/381563130.db2.gz GDWQCZASHGJMEA-KFWWJZLASA-N 2 0 268.445 2.510 20 0 CFADRP CCOC[C@H]([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000348437837 381569178 /nfs/dbraw/zinc/56/91/78/381569178.db2.gz GBLKXKHTYVIQQX-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)(O)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297671966 381569028 /nfs/dbraw/zinc/56/90/28/381569028.db2.gz OQTBDBKSTPKZIW-UHFFFAOYSA-N 2 0 299.418 2.518 20 0 CFADRP CCN(CC)CC[N@H+](CC(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414697332 381600260 /nfs/dbraw/zinc/60/02/60/381600260.db2.gz GVYZQUMQFUYVBX-IAGOWNOFSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000414713339 381600579 /nfs/dbraw/zinc/60/05/79/381600579.db2.gz OWIGDOWUZCLMDJ-XQQFMLRXSA-N 2 0 267.442 2.567 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](CC(F)F)CC2CCC2)CC[NH2+]1 ZINC000414739266 381602772 /nfs/dbraw/zinc/60/27/72/381602772.db2.gz CBIDMNMGTOWNQD-DGCLKSJQSA-N 2 0 260.372 2.742 20 0 CFADRP CS[C@H]1CN(c2cc[nH+]c(C)c2Cl)C[C@H]1[NH+](C)C ZINC000355086422 381603859 /nfs/dbraw/zinc/60/38/59/381603859.db2.gz DCZLFZDYUCZKDK-NEPJUHHUSA-N 2 0 285.844 2.525 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000414756555 381604113 /nfs/dbraw/zinc/60/41/13/381604113.db2.gz QWXNHORCRZSRLQ-KRWDZBQOSA-N 2 0 258.409 2.705 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414787131 381605138 /nfs/dbraw/zinc/60/51/38/381605138.db2.gz VAABZGPNQSRURK-LSDHHAIUSA-N 2 0 276.399 2.956 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414831333 381606875 /nfs/dbraw/zinc/60/68/75/381606875.db2.gz NDQWGESBRJMGGX-UONOGXRCSA-N 2 0 278.465 2.929 20 0 CFADRP C[C@H]1C[C@@H](CN2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414682724 381597390 /nfs/dbraw/zinc/59/73/90/381597390.db2.gz RUGMHAVDZMYAPW-WMZOPIPTSA-N 2 0 293.499 2.572 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414846261 381608208 /nfs/dbraw/zinc/60/82/08/381608208.db2.gz UMJJUGCLKVYXRB-CWRNSKLLSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414828768 381608326 /nfs/dbraw/zinc/60/83/26/381608326.db2.gz MSJNQIWPFCYCIS-NVXWUHKLSA-N 2 0 260.425 2.905 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414862037 381609435 /nfs/dbraw/zinc/60/94/35/381609435.db2.gz UJQJLVQBRMMDAK-ZDUSSCGKSA-N 2 0 271.408 2.533 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414853807 381609561 /nfs/dbraw/zinc/60/95/61/381609561.db2.gz TXXOYRIICJFDOU-AXFHLTTASA-N 2 0 252.324 2.553 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414907418 381611602 /nfs/dbraw/zinc/61/16/02/381611602.db2.gz ASQFDOYXUSDHTP-LMSBXDPUSA-N 2 0 293.499 2.617 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000414925490 381612692 /nfs/dbraw/zinc/61/26/92/381612692.db2.gz LVRDYDQYVRHRKE-MNOVXSKESA-N 2 0 288.313 2.787 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000414927258 381615599 /nfs/dbraw/zinc/61/55/99/381615599.db2.gz ONAUSCOFLIYBCO-STQMWFEESA-N 2 0 266.360 2.584 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000414927260 381616341 /nfs/dbraw/zinc/61/63/41/381616341.db2.gz ONLLYNUWBXPWQR-GJZGRUSLSA-N 2 0 262.397 2.705 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000355109311 381617481 /nfs/dbraw/zinc/61/74/81/381617481.db2.gz AWVFHXAIZPLTHM-UBDQQSCGSA-N 2 0 294.483 2.923 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414928176 381618828 /nfs/dbraw/zinc/61/88/28/381618828.db2.gz PXSLIAOFKJOYFG-NEPJUHHUSA-N 2 0 268.788 2.708 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000414931894 381622703 /nfs/dbraw/zinc/62/27/03/381622703.db2.gz VAAUHCQONDJXCO-KCPJHIHWSA-N 2 0 250.361 2.789 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414936729 381626617 /nfs/dbraw/zinc/62/66/17/381626617.db2.gz ZJWMGSUUAKVVMF-JKSUJKDBSA-N 2 0 298.434 2.849 20 0 CFADRP C[C@H]1[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C[C@@H]1c1ccccc1 ZINC000414943339 381634137 /nfs/dbraw/zinc/63/41/37/381634137.db2.gz NRGFUWSLFPWADG-DRANZPFZSA-N 2 0 258.409 2.766 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414945291 381636056 /nfs/dbraw/zinc/63/60/56/381636056.db2.gz PWMDCCSSMHRVBE-ZWKOTPCHSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414945109 381636330 /nfs/dbraw/zinc/63/63/30/381636330.db2.gz HWCMYAWNJOWTCU-ZENOOKHLSA-N 2 0 264.388 2.877 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414945122 381636469 /nfs/dbraw/zinc/63/64/69/381636469.db2.gz QZDAGPDAMSMVJC-IPYPFGDCSA-N 2 0 278.465 2.927 20 0 CFADRP CSc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000414946070 381636530 /nfs/dbraw/zinc/63/65/30/381636530.db2.gz SKPRYVQRTOMXLO-UHFFFAOYSA-N 2 0 250.411 2.640 20 0 CFADRP CC1([NH2+]C/C=C\c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000414944790 381636711 /nfs/dbraw/zinc/63/67/11/381636711.db2.gz QKNUXDVKKVKOSL-IHWYPQMZSA-N 2 0 266.335 2.710 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000414955643 381647523 /nfs/dbraw/zinc/64/75/23/381647523.db2.gz MIVBQCUYQSSYGE-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCCC(C)C)CCC[NH2+]1 ZINC000414952203 381642296 /nfs/dbraw/zinc/64/22/96/381642296.db2.gz HXVDQWOAJMKIOJ-GJZGRUSLSA-N 2 0 256.434 2.559 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414961619 381655636 /nfs/dbraw/zinc/65/56/36/381655636.db2.gz BIJYLQQKXKLQET-ZDUSSCGKSA-N 2 0 281.469 2.963 20 0 CFADRP c1ccc(OCCCC[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414960520 381655943 /nfs/dbraw/zinc/65/59/43/381655943.db2.gz HAINPZNVKXHGME-MRXNPFEDSA-N 2 0 276.424 2.967 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414961955 381658465 /nfs/dbraw/zinc/65/84/65/381658465.db2.gz RXAPSNVANDMFOF-YOEHRIQHSA-N 2 0 276.424 2.953 20 0 CFADRP Fc1cccc(F)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414963074 381658831 /nfs/dbraw/zinc/65/88/31/381658831.db2.gz COHKQRBLTJERDY-LLVKDONJSA-N 2 0 254.324 2.587 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@@H]1COc2ccccc21 ZINC000185553838 381664948 /nfs/dbraw/zinc/66/49/48/381664948.db2.gz DPXRESWMOMPUHS-DZKIICNBSA-N 2 0 274.408 2.625 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414974604 381669329 /nfs/dbraw/zinc/66/93/29/381669329.db2.gz NTFIWISSHZABHE-HNNXBMFYSA-N 2 0 262.397 2.625 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414976376 381671188 /nfs/dbraw/zinc/67/11/88/381671188.db2.gz PRSVYZAWVQWCOV-ZDUSSCGKSA-N 2 0 284.350 2.766 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976015 381671250 /nfs/dbraw/zinc/67/12/50/381671250.db2.gz PJPDPZKCNNCOCS-GFCCVEGCSA-N 2 0 282.815 2.970 20 0 CFADRP C[NH2+]Cc1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414979175 381672606 /nfs/dbraw/zinc/67/26/06/381672606.db2.gz TZBSITRHBYMHTP-IXDOHACOSA-N 2 0 273.424 2.739 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414978163 381673271 /nfs/dbraw/zinc/67/32/71/381673271.db2.gz SHKXDMHZRQQPET-LWAXHKBTSA-N 2 0 274.408 2.830 20 0 CFADRP CCCC(CCC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414978790 381673598 /nfs/dbraw/zinc/67/35/98/381673598.db2.gz TXUOPOJGZVMYDN-UHFFFAOYSA-N 2 0 256.434 2.561 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415016146 381710365 /nfs/dbraw/zinc/71/03/65/381710365.db2.gz ZUIIIXBPPSXEGI-DRPJVOAASA-N 2 0 250.430 2.790 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H](C)CCC[NH3+])s1 ZINC000415015918 381710538 /nfs/dbraw/zinc/71/05/38/381710538.db2.gz BNSZSUXABHTPPM-NSHDSACASA-N 2 0 255.431 2.559 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nccn1Cc1ccccc1 ZINC000415017209 381711166 /nfs/dbraw/zinc/71/11/66/381711166.db2.gz RLHQUPSKBNCKIO-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1Br ZINC000415018882 381713139 /nfs/dbraw/zinc/71/31/39/381713139.db2.gz HGIFKFCTFZICLP-LLVKDONJSA-N 2 0 285.229 2.975 20 0 CFADRP CCn1nc(C[NH2+][C@H](C)CCCC[NH3+])c2ccccc21 ZINC000415019381 381713168 /nfs/dbraw/zinc/71/31/68/381713168.db2.gz VPDQVXIHFITMNE-CYBMUJFWSA-N 2 0 274.412 2.663 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000415018640 381713467 /nfs/dbraw/zinc/71/34/67/381713467.db2.gz URGZKKQRCJHEBS-MRVPVSSYSA-N 2 0 281.347 2.769 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000415018500 381713548 /nfs/dbraw/zinc/71/35/48/381713548.db2.gz GUZSVHCEWQERCS-CQSZACIVSA-N 2 0 269.392 2.966 20 0 CFADRP CN(C)c1ccccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022253 381714923 /nfs/dbraw/zinc/71/49/23/381714923.db2.gz ISZGMTHSISIBKS-SHTZXODSSA-N 2 0 275.440 2.607 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000415022126 381714986 /nfs/dbraw/zinc/71/49/86/381714986.db2.gz VGAJJZWFLIPFLM-UTUOFQBUSA-N 2 0 286.366 2.934 20 0 CFADRP CCCn1nc(C)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1C ZINC000414979511 381674726 /nfs/dbraw/zinc/67/47/26/381674726.db2.gz VIIOCWJLMROGPT-HNNXBMFYSA-N 2 0 278.444 2.532 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414985522 381680102 /nfs/dbraw/zinc/68/01/02/381680102.db2.gz GIISWLTXLBBIQG-DOOHLRMFSA-N 2 0 296.361 2.894 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000414987317 381681813 /nfs/dbraw/zinc/68/18/13/381681813.db2.gz DMVDZUVNFAJONF-GXTWGEPZSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414989135 381683680 /nfs/dbraw/zinc/68/36/80/381683680.db2.gz GTBQMLYUGJYMAW-IUODEOHRSA-N 2 0 250.361 2.741 20 0 CFADRP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414997968 381688621 /nfs/dbraw/zinc/68/86/21/381688621.db2.gz QHPQUPJLDAIXCE-HIFRSBDPSA-N 2 0 292.423 2.619 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000414996450 381689520 /nfs/dbraw/zinc/68/95/20/381689520.db2.gz GIHGFTQYCFDELS-HZPDHXFCSA-N 2 0 287.451 2.763 20 0 CFADRP CCOCC[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000185640908 381691386 /nfs/dbraw/zinc/69/13/86/381691386.db2.gz WBERIZUPOKTVEJ-UHFFFAOYSA-N 2 0 299.418 2.702 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415001682 381692805 /nfs/dbraw/zinc/69/28/05/381692805.db2.gz VLDWOTHUUXXEOZ-CABCVRRESA-N 2 0 292.471 2.862 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000415024120 381716897 /nfs/dbraw/zinc/71/68/97/381716897.db2.gz OJFRPYPAFFIMPE-JTQLQIEISA-N 2 0 255.431 2.658 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000415003105 381694160 /nfs/dbraw/zinc/69/41/60/381694160.db2.gz WOGQHVDVSHHNFA-HIFRSBDPSA-N 2 0 292.423 2.701 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000359951192 381695611 /nfs/dbraw/zinc/69/56/11/381695611.db2.gz YOCZDYAKXPKVLJ-BRWVUGGUSA-N 3 0 281.488 2.571 20 0 CFADRP C1CC1[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415003253 381695920 /nfs/dbraw/zinc/69/59/20/381695920.db2.gz FPDURYGBFGXEGR-WCXIOVBPSA-N 2 0 262.441 2.933 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415005482 381698935 /nfs/dbraw/zinc/69/89/35/381698935.db2.gz ZEXFNPPOMJGLPB-NWDGAFQWSA-N 2 0 282.815 2.956 20 0 CFADRP Clc1ccsc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006281 381699199 /nfs/dbraw/zinc/69/91/99/381699199.db2.gz KHIVMUDGISJOGV-CMPLNLGQSA-N 2 0 270.829 2.879 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757956 381699487 /nfs/dbraw/zinc/69/94/87/381699487.db2.gz ZLMGBPZUOQYGAQ-HIFRSBDPSA-N 2 0 264.388 2.818 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757955 381699594 /nfs/dbraw/zinc/69/95/94/381699594.db2.gz ZLMGBPZUOQYGAQ-DZGCQCFKSA-N 2 0 264.388 2.818 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000415007416 381701258 /nfs/dbraw/zinc/70/12/58/381701258.db2.gz BNYPHWYFLJOEDI-CQSZACIVSA-N 2 0 286.423 2.694 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000415010999 381704058 /nfs/dbraw/zinc/70/40/58/381704058.db2.gz VOLWKVCSPKGKFE-IUCAKERBSA-N 2 0 293.358 2.769 20 0 CFADRP CCCc1csc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415010021 381704213 /nfs/dbraw/zinc/70/42/13/381704213.db2.gz UQGKAXFKKOFZPF-NWDGAFQWSA-N 2 0 267.442 2.703 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000415012720 381706014 /nfs/dbraw/zinc/70/60/14/381706014.db2.gz UCSOSJIODHVLHK-JCGIZDLHSA-N 2 0 272.436 2.843 20 0 CFADRP CC(C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415013221 381706527 /nfs/dbraw/zinc/70/65/27/381706527.db2.gz YARQEXCPVSJJDA-DZGCQCFKSA-N 2 0 250.361 2.517 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000415039758 381727983 /nfs/dbraw/zinc/72/79/83/381727983.db2.gz OCRPDNSYMUHZGK-WCQYABFASA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000415040311 381729146 /nfs/dbraw/zinc/72/91/46/381729146.db2.gz OYCFQGBBJZOEDH-KOLCDFICSA-N 2 0 288.313 2.644 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415041904 381730586 /nfs/dbraw/zinc/73/05/86/381730586.db2.gz QGIPVLBICILKIF-IVMMDQJWSA-N 2 0 264.388 2.864 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000415042869 381731109 /nfs/dbraw/zinc/73/11/09/381731109.db2.gz RJJRMJPEJKYPTH-JQWIXIFHSA-N 2 0 268.788 2.566 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415042263 381731249 /nfs/dbraw/zinc/73/12/49/381731249.db2.gz QKVMHWADPIRLPK-IRXDYDNUSA-N 2 0 276.424 2.538 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057840 381743504 /nfs/dbraw/zinc/74/35/04/381743504.db2.gz UNTCRJRRBSJXLP-RHSMWYFYSA-N 2 0 276.424 2.891 20 0 CFADRP CC[C@H]1C[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000348869794 381747103 /nfs/dbraw/zinc/74/71/03/381747103.db2.gz PBLPTJUQGZPNAW-BJCAYOAGSA-N 2 0 280.456 2.749 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415060627 381747481 /nfs/dbraw/zinc/74/74/81/381747481.db2.gz XCNXOOIWJQWSKS-RZZCCWGQSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415064386 381748499 /nfs/dbraw/zinc/74/84/99/381748499.db2.gz CKWNOZCHGJWXMM-TZMCWYRMSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[NH2+]C3CC3)CC2)C1 ZINC000415064514 381749411 /nfs/dbraw/zinc/74/94/11/381749411.db2.gz CTQARENILJUNPD-CRAIPNDOSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1ccc(NC[C@H]([NH3+])CC(C)C)c(C[NH+](C)C)c1 ZINC000415066242 381751764 /nfs/dbraw/zinc/75/17/64/381751764.db2.gz AFPKMDFBSNLVSN-OAHLLOKOSA-N 2 0 263.429 2.842 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000415067996 381754381 /nfs/dbraw/zinc/75/43/81/381754381.db2.gz LXDPRPYGBJMBGS-JQWIXIFHSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000415069942 381755774 /nfs/dbraw/zinc/75/57/74/381755774.db2.gz YARUNRDVLABQMF-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415024803 381718572 /nfs/dbraw/zinc/71/85/72/381718572.db2.gz PPDULMBRDCMYBX-ZDUSSCGKSA-N 2 0 250.386 2.692 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)s2)o1 ZINC000415032199 381723342 /nfs/dbraw/zinc/72/33/42/381723342.db2.gz HREGVFTYCNIDCZ-NEPJUHHUSA-N 2 0 291.420 2.929 20 0 CFADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035815 381724802 /nfs/dbraw/zinc/72/48/02/381724802.db2.gz KZVCDRABFKMNOQ-PLPKTUSISA-N 2 0 276.811 2.784 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000415034179 381725148 /nfs/dbraw/zinc/72/51/48/381725148.db2.gz JOYMSZDIYCTBPQ-GXFFZTMASA-N 2 0 272.314 2.922 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1F ZINC000415037377 381725992 /nfs/dbraw/zinc/72/59/92/381725992.db2.gz KZVSSEKXBOSKPX-LRDDRELGSA-N 2 0 294.414 2.743 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000415103390 381783268 /nfs/dbraw/zinc/78/32/68/381783268.db2.gz KBVIIIPOEMPXKX-MRXNPFEDSA-N 2 0 264.388 2.734 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415105878 381784654 /nfs/dbraw/zinc/78/46/54/381784654.db2.gz GTDFMSMNENVXIL-BFYDXBDKSA-N 2 0 275.440 2.913 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000415108842 381786103 /nfs/dbraw/zinc/78/61/03/381786103.db2.gz PGOBCXPJZONJGK-BBRMVZONSA-N 3 0 293.430 2.508 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000415111621 381786421 /nfs/dbraw/zinc/78/64/21/381786421.db2.gz RHNHUXVWGAOENA-LBPRGKRZSA-N 2 0 267.442 2.541 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415107884 381787193 /nfs/dbraw/zinc/78/71/93/381787193.db2.gz PPSSRGHTFGVWDA-NWDGAFQWSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000415118127 381790460 /nfs/dbraw/zinc/79/04/60/381790460.db2.gz GWJLBGNVEJHSIN-RYRKJORJSA-N 2 0 288.435 2.918 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415119049 381790665 /nfs/dbraw/zinc/79/06/65/381790665.db2.gz KKVWFGIWRSUCJU-CABCVRRESA-N 2 0 292.423 2.584 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415122444 381791896 /nfs/dbraw/zinc/79/18/96/381791896.db2.gz IGGIKMXOOJQDCA-HOCLYGCPSA-N 2 0 298.434 2.597 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1F ZINC000415121672 381792730 /nfs/dbraw/zinc/79/27/30/381792730.db2.gz ZDLZDEZVDRHBNS-JSGCOSHPSA-N 2 0 250.361 2.754 20 0 CFADRP Cc1[nH+]ccc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1Cl ZINC000355671606 381792964 /nfs/dbraw/zinc/79/29/64/381792964.db2.gz PZBFNOWCWZGKOE-ZDUSSCGKSA-N 2 0 267.804 2.820 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC000415120478 381793059 /nfs/dbraw/zinc/79/30/59/381793059.db2.gz GDMLDPYIXMREQY-GXTWGEPZSA-N 2 0 288.391 2.858 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415124253 381794188 /nfs/dbraw/zinc/79/41/88/381794188.db2.gz KAPGTHUMWUABMS-INMHGKMJSA-N 2 0 260.425 2.782 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000360945082 381795247 /nfs/dbraw/zinc/79/52/47/381795247.db2.gz CRUGICKRBRTPAN-GDBMZVCRSA-N 2 0 288.435 2.657 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+]C1CCC([NH3+])CC1 ZINC000415128275 381796516 /nfs/dbraw/zinc/79/65/16/381796516.db2.gz STRXJGBNNYDNAF-UHFFFAOYSA-N 2 0 261.413 2.739 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360973287 381797970 /nfs/dbraw/zinc/79/79/70/381797970.db2.gz BIEBVTSALBWKFW-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415078601 381763448 /nfs/dbraw/zinc/76/34/48/381763448.db2.gz GQVBXDQKFVNRHO-QWHCGFSZSA-N 2 0 252.427 2.516 20 0 CFADRP FC(F)(F)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372170239 381767391 /nfs/dbraw/zinc/76/73/91/381767391.db2.gz QHZULKYGTAXMRC-WCQYABFASA-N 2 0 276.346 2.888 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(Cn3cccn3)c2)CC1 ZINC000415081929 381767635 /nfs/dbraw/zinc/76/76/35/381767635.db2.gz LIQGWUUUBXSBMX-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)ccc1F ZINC000415082830 381768408 /nfs/dbraw/zinc/76/84/08/381768408.db2.gz MDQTXDBBYXBLRY-TZMCWYRMSA-N 2 0 250.361 2.754 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415083912 381769504 /nfs/dbraw/zinc/76/95/04/381769504.db2.gz OCLCNKOBRIGNET-BRWVUGGUSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000415083997 381769552 /nfs/dbraw/zinc/76/95/52/381769552.db2.gz ONQAAOQLLCKZMQ-HOSILWTGSA-N 2 0 274.408 2.671 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000415084651 381769898 /nfs/dbraw/zinc/76/98/98/381769898.db2.gz HFBMQDKXNAPXEB-KRWDZBQOSA-N 2 0 298.434 2.721 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)ccc1C ZINC000415087682 381773307 /nfs/dbraw/zinc/77/33/07/381773307.db2.gz WITWPQUWHQBTGD-DZGCQCFKSA-N 2 0 262.397 2.624 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000415091477 381776807 /nfs/dbraw/zinc/77/68/07/381776807.db2.gz QELQEKGRELYXSZ-UHFFFAOYSA-N 2 0 266.816 2.990 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000415091016 381777629 /nfs/dbraw/zinc/77/76/29/381777629.db2.gz YNTDAZAVPQICQN-JKSUJKDBSA-N 2 0 261.413 2.553 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415091694 381777902 /nfs/dbraw/zinc/77/79/02/381777902.db2.gz ZPUYGBXVKYMGFJ-ZIAGYGMSSA-N 2 0 264.388 2.654 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292788335 381835180 /nfs/dbraw/zinc/83/51/80/381835180.db2.gz MBWAIXIOEYBVOZ-KRWDZBQOSA-N 2 0 258.409 2.831 20 0 CFADRP COC1(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCCCC1 ZINC000361550006 381842350 /nfs/dbraw/zinc/84/23/50/381842350.db2.gz QMDAZETZCOORHL-HUUCEWRRSA-N 2 0 268.445 2.750 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CCC(C)C)CC1 ZINC000361232594 381810938 /nfs/dbraw/zinc/81/09/38/381810938.db2.gz OXDYHBHLHMLHOV-QGZVFWFLSA-N 2 0 284.488 2.837 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349195635 381844052 /nfs/dbraw/zinc/84/40/52/381844052.db2.gz TXULITOIRIYQSL-INIZCTEOSA-N 2 0 290.455 2.628 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H]1c1cnn(C)c1C ZINC000372810540 381874316 /nfs/dbraw/zinc/87/43/16/381874316.db2.gz SUKPFXYACCUHNP-MRXNPFEDSA-N 2 0 278.444 2.597 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCOC1 ZINC000356901899 381895560 /nfs/dbraw/zinc/89/55/60/381895560.db2.gz QMMGQLXNXDZHCF-KKUMJFAQSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000372904498 381888401 /nfs/dbraw/zinc/88/84/01/381888401.db2.gz KAVNCIIYIXHXSC-HNNXBMFYSA-N 2 0 289.423 2.527 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349322966 381889714 /nfs/dbraw/zinc/88/97/14/381889714.db2.gz ZFRDNHWQJQZRDK-ROUUACIJSA-N 2 0 293.499 2.548 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1NCc1csc(-c2ccco2)n1 ZINC000356891165 381890005 /nfs/dbraw/zinc/89/00/05/381890005.db2.gz HYZNKUKUNMPTAQ-WCQYABFASA-N 2 0 291.420 2.833 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186590566 381957854 /nfs/dbraw/zinc/95/78/54/381957854.db2.gz MCLRVFAHKGDURH-IRXDYDNUSA-N 2 0 289.467 2.672 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186597904 381960124 /nfs/dbraw/zinc/96/01/24/381960124.db2.gz CDJMLUHFEFJZQV-IAGOWNOFSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1nc3ccccc3o1)C2 ZINC000373203511 381948200 /nfs/dbraw/zinc/94/82/00/381948200.db2.gz QESRFIMYUDMNNY-CHWSQXEVSA-N 2 0 296.374 2.998 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000356992704 381948869 /nfs/dbraw/zinc/94/88/69/381948869.db2.gz NLDPBPSBTXKMSN-BRWVUGGUSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000186574205 381952362 /nfs/dbraw/zinc/95/23/62/381952362.db2.gz CCHVLSAYMAEMOE-SFHVURJKSA-N 2 0 290.451 2.912 20 0 CFADRP CCCC1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186583959 381954492 /nfs/dbraw/zinc/95/44/92/381954492.db2.gz NVXSNJZJIOUGBW-WWDZGPRUSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@H+](CCOCC[NH3+])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000357083845 382000996 /nfs/dbraw/zinc/00/09/96/382000996.db2.gz QMCCTJDOXGAKDE-KRWDZBQOSA-N 2 0 296.430 2.690 20 0 CFADRP CC[N@H+](CCOCC[NH3+])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000357083848 382001043 /nfs/dbraw/zinc/00/10/43/382001043.db2.gz QMCCTJDOXGAKDE-QGZVFWFLSA-N 2 0 296.430 2.690 20 0 CFADRP Cc1ccccc1C[N@H+](CCOCC[NH3+])Cc1ccccc1 ZINC000357085272 382003183 /nfs/dbraw/zinc/00/31/83/382003183.db2.gz QUCMKVDSDQZTGC-UHFFFAOYSA-N 2 0 298.430 2.973 20 0 CFADRP [NH3+]CCOCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000357090394 382005037 /nfs/dbraw/zinc/00/50/37/382005037.db2.gz VIJHPVREGLCIKN-UHFFFAOYSA-N 2 0 294.414 2.588 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000350262412 382010295 /nfs/dbraw/zinc/01/02/95/382010295.db2.gz ZIQXURNWIOJIPX-HOTGVXAUSA-N 2 0 266.429 2.528 20 0 CFADRP Cc1sccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000293158579 382013366 /nfs/dbraw/zinc/01/33/66/382013366.db2.gz FLTGZAZQNAUVMO-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP [NH3+]CCOCC[NH+](Cc1cccs1)Cc1cccs1 ZINC000357031561 381977777 /nfs/dbraw/zinc/97/77/77/381977777.db2.gz QHVNCPNSHQAMLW-UHFFFAOYSA-N 2 0 296.461 2.787 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000349664423 381983560 /nfs/dbraw/zinc/98/35/60/381983560.db2.gz LQJNUFSAAXHGET-AWEZNQCLSA-N 2 0 268.401 2.597 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000349668401 381983677 /nfs/dbraw/zinc/98/36/77/381983677.db2.gz QXDGNGSMLPHSHW-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC/C=C/CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000373347429 381984052 /nfs/dbraw/zinc/98/40/52/381984052.db2.gz LSLOXKVVMNMXMH-YHGKZGMESA-N 2 0 266.429 2.526 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357041801 381984992 /nfs/dbraw/zinc/98/49/92/381984992.db2.gz DFOIJKYTYKHNNG-INIZCTEOSA-N 2 0 288.435 2.907 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357052607 381988877 /nfs/dbraw/zinc/98/88/77/381988877.db2.gz NZFPLXVBPAYOTE-CYBMUJFWSA-N 2 0 279.453 2.527 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)CC(C)C ZINC000417327522 382041347 /nfs/dbraw/zinc/04/13/47/382041347.db2.gz BOAVVRJEHZLSNN-HNNXBMFYSA-N 2 0 270.461 2.900 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)CC(C)C ZINC000417327535 382041636 /nfs/dbraw/zinc/04/16/36/382041636.db2.gz BOAVVRJEHZLSNN-OAHLLOKOSA-N 2 0 270.461 2.900 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cncc(OC)c2)CC1 ZINC000343975682 382044823 /nfs/dbraw/zinc/04/48/23/382044823.db2.gz JDSZDMFOGKBFKE-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CCC[C@H](CC)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343989855 382052473 /nfs/dbraw/zinc/05/24/73/382052473.db2.gz POIHHUDMSUCATO-HNNXBMFYSA-N 2 0 279.428 2.690 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000417358859 382055772 /nfs/dbraw/zinc/05/57/72/382055772.db2.gz UTKRXZBZQDNAHF-DOTOQJQBSA-N 2 0 293.499 2.713 20 0 CFADRP CCC[NH+]1CCC(CNc2nc3ccccc3[nH]2)CC1 ZINC000357216378 382061257 /nfs/dbraw/zinc/06/12/57/382061257.db2.gz FQNRJOGFHRFKBX-UHFFFAOYSA-N 2 0 272.396 2.519 20 0 CFADRP CN(CC[N@H+](C)CC1CCCCCC1)C1CC[NH+](C)CC1 ZINC000186873768 382034464 /nfs/dbraw/zinc/03/44/64/382034464.db2.gz IIOOIIFTXCLPJR-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000417304350 382035232 /nfs/dbraw/zinc/03/52/32/382035232.db2.gz FGJTXIOFZPUZQW-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C12CCC2 ZINC000344081268 382117212 /nfs/dbraw/zinc/11/72/12/382117212.db2.gz XACFUBYGSPJCGN-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C12CCC2 ZINC000344081267 382117332 /nfs/dbraw/zinc/11/73/32/382117332.db2.gz XACFUBYGSPJCGN-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000344085224 382119091 /nfs/dbraw/zinc/11/90/91/382119091.db2.gz PIPUGSRZTWGNFG-OIISXLGYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCSCC1 ZINC000186993545 382070905 /nfs/dbraw/zinc/07/09/05/382070905.db2.gz ABSBTMWZTNYZJI-STQMWFEESA-N 2 0 268.470 2.592 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCSCC1 ZINC000186993575 382071079 /nfs/dbraw/zinc/07/10/79/382071079.db2.gz ABSBTMWZTNYZJI-QWHCGFSZSA-N 2 0 268.470 2.592 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000417851026 382081398 /nfs/dbraw/zinc/08/13/98/382081398.db2.gz YCZTUYNANAKEES-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP Cc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1C ZINC000344050609 382093108 /nfs/dbraw/zinc/09/31/08/382093108.db2.gz HQYLSOORVPOPSW-UHFFFAOYSA-N 2 0 291.483 2.619 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ncccc2C)CC1 ZINC000357300102 382094688 /nfs/dbraw/zinc/09/46/88/382094688.db2.gz CVQOHEONWQPQOG-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP Cc1sccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293559388 382174926 /nfs/dbraw/zinc/17/49/26/382174926.db2.gz FXWFYPSREBLPFO-OAHLLOKOSA-N 2 0 264.438 2.974 20 0 CFADRP Cc1sccc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000293585097 382186040 /nfs/dbraw/zinc/18/60/40/382186040.db2.gz NXWDXFIYIOONKV-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000352041356 382144724 /nfs/dbraw/zinc/14/47/24/382144724.db2.gz XIDFAPJSYGCHQS-FPCVCCKLSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000293516908 382154583 /nfs/dbraw/zinc/15/45/83/382154583.db2.gz AROSSIIFHZVXGP-OAHLLOKOSA-N 2 0 264.438 2.974 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc(O)c1Cl ZINC000293521601 382156136 /nfs/dbraw/zinc/15/61/36/382156136.db2.gz BCAIKIQTHIEADY-YPMHNXCESA-N 2 0 282.815 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000352067848 382158170 /nfs/dbraw/zinc/15/81/70/382158170.db2.gz FQBSZUOSSCLMGL-VVLHAWIVSA-N 2 0 282.472 2.758 20 0 CFADRP C[NH+](C)C1(CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000419006162 382214303 /nfs/dbraw/zinc/21/43/03/382214303.db2.gz HFHMUSIFONTITO-UHFFFAOYSA-N 2 0 259.328 2.880 20 0 CFADRP Cc1cc(N2CC[NH+](CCc3ccccc3)CC2)cc[nH+]1 ZINC000302228307 382221077 /nfs/dbraw/zinc/22/10/77/382221077.db2.gz VJMDEVJXYGPNCG-UHFFFAOYSA-N 2 0 281.403 2.755 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000362978283 382224335 /nfs/dbraw/zinc/22/43/35/382224335.db2.gz YPHUQXMAZXSITG-RRFJBIMHSA-N 2 0 256.434 2.558 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCO1 ZINC000680338959 542306893 /nfs/dbraw/zinc/30/68/93/542306893.db2.gz MLVIWJDJKUKXOD-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000345052560 382281404 /nfs/dbraw/zinc/28/14/04/382281404.db2.gz XHYJOHWVNWTNOY-BZZMCLGOSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000187887580 382288834 /nfs/dbraw/zinc/28/88/34/382288834.db2.gz LDPHHHRJJALKSA-UBDQQSCGSA-N 2 0 294.483 2.923 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000377283628 382248166 /nfs/dbraw/zinc/24/81/66/382248166.db2.gz SKWLVZMRHLKSBO-VDHUWJSZSA-N 2 0 288.435 2.664 20 0 CFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000680351466 542310415 /nfs/dbraw/zinc/31/04/15/542310415.db2.gz WLODZFPHTBSHFT-HOCLYGCPSA-N 2 0 294.439 2.547 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C1CCN(CCO)CC1 ZINC000357645983 382263749 /nfs/dbraw/zinc/26/37/49/382263749.db2.gz GYQYMRAZKBADOB-ZDUSSCGKSA-N 2 0 296.842 2.790 20 0 CFADRP CO[C@H](CC(C)C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000419269396 382265254 /nfs/dbraw/zinc/26/52/54/382265254.db2.gz BQIAJDAEZVVDGM-VFSICIBPSA-N 2 0 268.445 2.605 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000302554666 382267040 /nfs/dbraw/zinc/26/70/40/382267040.db2.gz KSSJMHDQOYTVHX-DZGCQCFKSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CCCCCC3)C2)CC[N@@H+]1C ZINC000364458587 382318186 /nfs/dbraw/zinc/31/81/86/382318186.db2.gz NPTIFKUSUDVRHQ-IKGGRYGDSA-N 2 0 293.499 2.856 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnccc2C)C1 ZINC000357787576 382322465 /nfs/dbraw/zinc/32/24/65/382322465.db2.gz ZCHHUAODLODVJG-GJZGRUSLSA-N 2 0 261.413 2.773 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000188112825 382346158 /nfs/dbraw/zinc/34/61/58/382346158.db2.gz NHJFDIGFQKVEJV-SQWLQELKSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ncc([C@@H](C)NCC(C)(C)C[NH+]2CCCC2)c(C)n1 ZINC000357837523 382343829 /nfs/dbraw/zinc/34/38/29/382343829.db2.gz UNILXOLMDCAYIV-CYBMUJFWSA-N 2 0 290.455 2.866 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420298804 382349264 /nfs/dbraw/zinc/34/92/64/382349264.db2.gz HWAIBFCCLMQLHI-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420297899 382349748 /nfs/dbraw/zinc/34/97/48/382349748.db2.gz GNCBFYYYOVUHDI-NXOAAHMSSA-N 2 0 294.483 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000420299658 382349903 /nfs/dbraw/zinc/34/99/03/382349903.db2.gz JEZKRXFLJXRBNN-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP Fc1cccc(C[C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420298385 382350271 /nfs/dbraw/zinc/35/02/71/382350271.db2.gz FCPFCQBJIUGSSE-PBHICJAKSA-N 2 0 276.399 2.832 20 0 CFADRP c1ccc([C@@H]2CSCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420299068 382350383 /nfs/dbraw/zinc/35/03/83/382350383.db2.gz GFBXUSBNOPJCSR-ZBFHGGJFSA-N 2 0 276.449 2.776 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](c2ccsc2)O1 ZINC000420301610 382351815 /nfs/dbraw/zinc/35/18/15/382351815.db2.gz LQMGYGKLJOWXCQ-IPYPFGDCSA-N 2 0 280.437 2.510 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420299986 382352119 /nfs/dbraw/zinc/35/21/19/382352119.db2.gz GYBDSINAJKIRQW-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420301206 382352195 /nfs/dbraw/zinc/35/21/95/382352195.db2.gz IMIBXTAOIIRWSN-OAHLLOKOSA-N 2 0 294.414 2.916 20 0 CFADRP CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420304009 382354476 /nfs/dbraw/zinc/35/44/76/382354476.db2.gz IGPMBQKDULHTLI-YESZJQIVSA-N 2 0 258.409 2.808 20 0 CFADRP COc1ccc(C[N@H+](C[C@H](C)[NH3+])[C@@H](C)C2CC2)cc1 ZINC000420302925 382354552 /nfs/dbraw/zinc/35/45/52/382354552.db2.gz JZXPYSOXDVBEKX-STQMWFEESA-N 2 0 262.397 2.643 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCOC1 ZINC000357862529 382354758 /nfs/dbraw/zinc/35/47/58/382354758.db2.gz YNUHSJNCWHEOEF-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420306201 382355426 /nfs/dbraw/zinc/35/54/26/382355426.db2.gz ABLVNNJVJSOGGQ-CRAIPNDOSA-N 2 0 287.451 2.889 20 0 CFADRP Cc1csc([C@@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420306197 382356400 /nfs/dbraw/zinc/35/64/00/382356400.db2.gz ABHZHABJOHBJRD-KBPBESRZSA-N 2 0 279.453 2.978 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420308422 382358279 /nfs/dbraw/zinc/35/82/79/382358279.db2.gz SDVCHMCXTUTIFS-IAGOWNOFSA-N 2 0 260.425 2.939 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@@H](C)CCSC)cc1 ZINC000420307595 382358715 /nfs/dbraw/zinc/35/87/15/382358715.db2.gz RMOMFYHADWHYPJ-ZFWWWQNUSA-N 2 0 296.480 2.811 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420312673 382359869 /nfs/dbraw/zinc/35/98/69/382359869.db2.gz OSKVYICEVXZNIT-OAHLLOKOSA-N 2 0 276.424 2.689 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313575 382362748 /nfs/dbraw/zinc/36/27/48/382362748.db2.gz YCBWRFILZNEXFJ-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420316532 382363623 /nfs/dbraw/zinc/36/36/23/382363623.db2.gz YIIYUEITFBLVOJ-DETPVDSQSA-N 2 0 262.372 2.872 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(OC(F)F)cc1 ZINC000420316126 382364056 /nfs/dbraw/zinc/36/40/56/382364056.db2.gz MMHAYBHOHZCTHK-LBPRGKRZSA-N 2 0 284.350 2.719 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420316536 382364091 /nfs/dbraw/zinc/36/40/91/382364091.db2.gz YIIYUEITFBLVOJ-NORZTCDRSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414827715 296329165 /nfs/dbraw/zinc/32/91/65/296329165.db2.gz HOSVXCRDCFMANX-RYRKJORJSA-N 3 0 293.499 2.619 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000420321143 382365883 /nfs/dbraw/zinc/36/58/83/382365883.db2.gz QUSLEMXYXUPNOC-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@H+](CCCc1ccsc1)[C@H]1CCC[NH2+]CC1 ZINC000420320654 382367215 /nfs/dbraw/zinc/36/72/15/382367215.db2.gz YUTBKUACQWCWRI-AWEZNQCLSA-N 2 0 252.427 2.755 20 0 CFADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420324368 382368443 /nfs/dbraw/zinc/36/84/43/382368443.db2.gz VCKBRDJOBBPQRN-SNRMKQJTSA-N 2 0 298.430 2.610 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420324005 382368937 /nfs/dbraw/zinc/36/89/37/382368937.db2.gz UWMORVRRQHHQBM-YOEHRIQHSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCc2c1cccc2Cl ZINC000420321744 382369014 /nfs/dbraw/zinc/36/90/14/382369014.db2.gz RPKOZLNHMMJVHK-JRPNMDOOSA-N 2 0 264.800 2.996 20 0 CFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420321986 382369069 /nfs/dbraw/zinc/36/90/69/382369069.db2.gz DORSSDGTEREUPX-BFHYXJOUSA-N 2 0 292.427 2.576 20 0 CFADRP c1ccc(C[C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420322179 382369083 /nfs/dbraw/zinc/36/90/83/382369083.db2.gz SDJROUUAEXVDFD-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cs1 ZINC000420322282 382369293 /nfs/dbraw/zinc/36/92/93/382369293.db2.gz SJPVVOLIAVSRGF-GXTWGEPZSA-N 2 0 250.411 2.885 20 0 CFADRP CC[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321758 382369368 /nfs/dbraw/zinc/36/93/68/382369368.db2.gz RPWDZPCRDFCUSE-HUUCEWRRSA-N 2 0 262.397 2.612 20 0 CFADRP c1csc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420326419 382370973 /nfs/dbraw/zinc/37/09/73/382370973.db2.gz XJZHYOSZRNBTNC-LSDHHAIUSA-N 2 0 294.464 2.729 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420326452 382371585 /nfs/dbraw/zinc/37/15/85/382371585.db2.gz XLICABIGJJNTQK-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP c1csc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCCC2)n1 ZINC000420326796 382371682 /nfs/dbraw/zinc/37/16/82/382371682.db2.gz XRSBVMDMICNTIP-GFCCVEGCSA-N 2 0 265.426 2.502 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420325813 382371783 /nfs/dbraw/zinc/37/17/83/382371783.db2.gz WTNLWHCKTWVTLC-QGZVFWFLSA-N 3 0 295.515 2.820 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330574 382372661 /nfs/dbraw/zinc/37/26/61/382372661.db2.gz AWFPVUGHCIVMDJ-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP CCc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000420330342 382373042 /nfs/dbraw/zinc/37/30/42/382373042.db2.gz HWTWCJFSKQHEFV-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420339917 382374468 /nfs/dbraw/zinc/37/44/68/382374468.db2.gz ZJFFOXOXXSEXDD-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000420339877 382375638 /nfs/dbraw/zinc/37/56/38/382375638.db2.gz ZEXMQEKTYOWHAC-UONOGXRCSA-N 2 0 291.439 2.794 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000346471897 382377014 /nfs/dbraw/zinc/37/70/14/382377014.db2.gz DNUBWQKWFNZVPO-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345465 382377175 /nfs/dbraw/zinc/37/71/75/382377175.db2.gz VMRQTIIRQMNULO-MWDXBVQZSA-N 2 0 280.456 2.513 20 0 CFADRP Clc1cccc(O[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420352297 382379057 /nfs/dbraw/zinc/37/90/57/382379057.db2.gz AADPJDTZENKXMB-CZUORRHYSA-N 2 0 294.826 2.793 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420354308 382379451 /nfs/dbraw/zinc/37/94/51/382379451.db2.gz CQNYYELLSOBRDJ-MRXNPFEDSA-N 2 0 276.424 2.742 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000420359406 382381821 /nfs/dbraw/zinc/38/18/21/382381821.db2.gz KLCAWPKONUPSEX-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352533985 382382616 /nfs/dbraw/zinc/38/26/16/382382616.db2.gz BWGQAVKHASMRNS-BVBGJJFLSA-N 2 0 274.408 2.912 20 0 CFADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420363149 382384995 /nfs/dbraw/zinc/38/49/95/382384995.db2.gz BFQAUWRKBTYPCL-VKJFTORMSA-N 2 0 288.435 2.700 20 0 CFADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420364151 382385131 /nfs/dbraw/zinc/38/51/31/382385131.db2.gz CSJBPPSJZJXAAP-CVEARBPZSA-N 2 0 298.434 2.500 20 0 CFADRP C[NH+](C)CCOc1cc(C[NH2+]CCC(C)(C)C)ccn1 ZINC000188296432 382385609 /nfs/dbraw/zinc/38/56/09/382385609.db2.gz DSWWTHJJLJODBI-UHFFFAOYSA-N 2 0 279.428 2.548 20 0 CFADRP [NH3+]CC[C@H]1CCCCN1Cc1cnc([C@H]2CCCO2)s1 ZINC000352541597 382388072 /nfs/dbraw/zinc/38/80/72/382388072.db2.gz ZRZCBXAPSCZJRL-TZMCWYRMSA-N 2 0 295.452 2.698 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(F)cc(F)c1 ZINC000420365416 382388122 /nfs/dbraw/zinc/38/81/22/382388122.db2.gz SDANICTVXZGGLT-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420367418 382389409 /nfs/dbraw/zinc/38/94/09/382389409.db2.gz VUMGDGKTQGPWOX-RDJZCZTQSA-N 2 0 273.424 2.563 20 0 CFADRP CCCC1CCC(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000352544729 382390543 /nfs/dbraw/zinc/39/05/43/382390543.db2.gz COKCHFFGJBKSHE-ABHNRTSZSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000420370018 382390747 /nfs/dbraw/zinc/39/07/47/382390747.db2.gz JINKCOVBWILDFS-VXGBXAGGSA-N 2 0 252.789 2.990 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000420369535 382391225 /nfs/dbraw/zinc/39/12/25/382391225.db2.gz XRZMZVCJXBJRQX-HNNXBMFYSA-N 2 0 298.434 2.898 20 0 CFADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420375283 382393094 /nfs/dbraw/zinc/39/30/94/382393094.db2.gz PCEVMJWQNNBBMI-HZPDHXFCSA-N 2 0 290.455 2.820 20 0 CFADRP Cc1ccccc1-c1cccc(CN2CCO[C@H](C[NH3+])C2)c1 ZINC000357972538 382395173 /nfs/dbraw/zinc/39/51/73/382395173.db2.gz VMAFDSYHPMGBPK-GOSISDBHSA-N 2 0 296.414 2.822 20 0 CFADRP CN(C)c1cc[nH+]cc1CNCc1ccc(Cl)o1 ZINC000680539381 542336170 /nfs/dbraw/zinc/33/61/70/542336170.db2.gz BWRKMASBMRBZSC-UHFFFAOYSA-N 2 0 265.744 2.684 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420296352 382347327 /nfs/dbraw/zinc/34/73/27/382347327.db2.gz DJTNHFFDRBAVPM-CAOSSQGBSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420295476 382347354 /nfs/dbraw/zinc/34/73/54/382347354.db2.gz AOZUTJPALZLWLA-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP C(C[NH+]1CCC(OC2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420296040 382347998 /nfs/dbraw/zinc/34/79/98/382347998.db2.gz CXEGIZXKTHKMJS-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP OC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000305142800 382426891 /nfs/dbraw/zinc/42/68/91/382426891.db2.gz QTBCNDRDNAGYJJ-UHFFFAOYSA-N 2 0 280.456 2.678 20 0 CFADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000365635063 382427765 /nfs/dbraw/zinc/42/77/65/382427765.db2.gz ZGWNWUCXDJJWPX-LBPRGKRZSA-N 2 0 261.394 2.861 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000358048330 382428743 /nfs/dbraw/zinc/42/87/43/382428743.db2.gz PMVPKFQHNBFALL-MSOLQXFVSA-N 2 0 270.420 2.618 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c1 ZINC000358068197 382436928 /nfs/dbraw/zinc/43/69/28/382436928.db2.gz YTSCLLVVKYLDGC-CRAIPNDOSA-N 2 0 289.467 2.567 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000365807539 382448512 /nfs/dbraw/zinc/44/85/12/382448512.db2.gz VIYATIZFYQMUJJ-DLBZAZTESA-N 2 0 292.467 2.798 20 0 CFADRP Cn1cc(CN2CCC[C@H]([NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000365473015 382399128 /nfs/dbraw/zinc/39/91/28/382399128.db2.gz ZNCOAGUWNHLSLP-HNNXBMFYSA-N 2 0 292.471 2.634 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420404560 382399834 /nfs/dbraw/zinc/39/98/34/382399834.db2.gz MDQCRJZARMQONO-HOCLYGCPSA-N 2 0 276.424 2.681 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420405434 382400224 /nfs/dbraw/zinc/40/02/24/382400224.db2.gz MVTVPUXPBYVUPV-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000420408754 382401265 /nfs/dbraw/zinc/40/12/65/382401265.db2.gz PUFXHQMKWFNQEM-GOEBONIOSA-N 2 0 276.424 2.545 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1F ZINC000420408575 382401956 /nfs/dbraw/zinc/40/19/56/382401956.db2.gz PONIDNSSMFLKDY-QWHCGFSZSA-N 2 0 250.361 2.784 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000358001153 382404288 /nfs/dbraw/zinc/40/42/88/382404288.db2.gz DMBZRQVUXGIAFS-JQWIXIFHSA-N 2 0 272.845 2.874 20 0 CFADRP C([C@H]1CCSC1)[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000365518448 382406827 /nfs/dbraw/zinc/40/68/27/382406827.db2.gz WDAJJDMXWHNLQQ-CABCVRRESA-N 2 0 268.470 2.690 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000358014869 382408751 /nfs/dbraw/zinc/40/87/51/382408751.db2.gz CUKNAECXSVFJJA-WMLDXEAASA-N 2 0 294.414 2.915 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346551876 382409047 /nfs/dbraw/zinc/40/90/47/382409047.db2.gz HKRRPMSFDYEDDY-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H]2Cc3ccccc3O2)C1 ZINC000378161186 382409703 /nfs/dbraw/zinc/40/97/03/382409703.db2.gz PUIMQRKMZYAQJR-NVXWUHKLSA-N 2 0 288.435 2.654 20 0 CFADRP Cc1ccccc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000378182476 382413692 /nfs/dbraw/zinc/41/36/92/382413692.db2.gz IUDNYYFZQAYNRB-SJORKVTESA-N 2 0 258.409 2.911 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000352608112 382414789 /nfs/dbraw/zinc/41/47/89/382414789.db2.gz FSHHUNAUDPAMRW-OWCLPIDISA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000346573660 382419806 /nfs/dbraw/zinc/41/98/06/382419806.db2.gz PGRKJICHOUBQCI-KBRIMQKVSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1Cl ZINC000346684552 382471268 /nfs/dbraw/zinc/47/12/68/382471268.db2.gz GYUFLOMOYNMPKQ-UHFFFAOYSA-N 2 0 252.789 2.819 20 0 CFADRP CCCCOc1ccc(CN2CCC[NH2+]CC2)cc1OC ZINC000346640200 382449654 /nfs/dbraw/zinc/44/96/54/382449654.db2.gz KVVNXDUDCFUVBJ-UHFFFAOYSA-N 2 0 292.423 2.669 20 0 CFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000346643127 382451676 /nfs/dbraw/zinc/45/16/76/382451676.db2.gz NJVQHFWMYNNASD-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CC[C@@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352705589 382452998 /nfs/dbraw/zinc/45/29/98/382452998.db2.gz QPKLSOKISOQHFO-QGZVFWFLSA-N 2 0 289.467 2.535 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(C)(C)O)C2)CC1 ZINC000365899574 382455432 /nfs/dbraw/zinc/45/54/32/382455432.db2.gz AWSNLYUDKPIJHR-INIZCTEOSA-N 2 0 282.472 2.591 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000352712114 382455940 /nfs/dbraw/zinc/45/59/40/382455940.db2.gz CDGSNZLBNBEKQA-MKBNYLNASA-N 2 0 292.398 2.968 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346661489 382459742 /nfs/dbraw/zinc/45/97/42/382459742.db2.gz BDLYJKUPYQLRHQ-GJZGRUSLSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000352727718 382462026 /nfs/dbraw/zinc/46/20/26/382462026.db2.gz SYPVZCHLPSQHQM-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000346671595 382464583 /nfs/dbraw/zinc/46/45/83/382464583.db2.gz KALKRHPCVIHROZ-GOEBONIOSA-N 2 0 281.403 2.918 20 0 CFADRP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000365980000 382466957 /nfs/dbraw/zinc/46/69/57/382466957.db2.gz ZDHJBLSMRWRQST-WMZOPIPTSA-N 2 0 296.418 2.914 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000346681320 382469752 /nfs/dbraw/zinc/46/97/52/382469752.db2.gz DGZZSTMLJPLSHS-UHFFFAOYSA-N 2 0 279.453 2.971 20 0 CFADRP Cc1[nH+]ccc(NCC2CC[NH+](C)CC2)c1Cl ZINC000310411209 382495860 /nfs/dbraw/zinc/49/58/60/382495860.db2.gz OXWIEXDXGAYMAC-UHFFFAOYSA-N 2 0 253.777 2.797 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000346691446 382474414 /nfs/dbraw/zinc/47/44/14/382474414.db2.gz VTHUJFNOJYSFQN-HOCLYGCPSA-N 2 0 281.403 2.918 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000346693866 382477858 /nfs/dbraw/zinc/47/78/58/382477858.db2.gz QEIBOCUDSSMEIW-QGZVFWFLSA-N 2 0 286.423 2.678 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000352881481 382478945 /nfs/dbraw/zinc/47/89/45/382478945.db2.gz ZPPZAJIBTNNZFQ-JKSUJKDBSA-N 2 0 270.461 2.734 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000346695169 382479777 /nfs/dbraw/zinc/47/97/77/382479777.db2.gz YQISNRIQOYFWNH-KSSFIOAISA-N 2 0 281.403 2.918 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294261931 382483698 /nfs/dbraw/zinc/48/36/98/382483698.db2.gz QYMQFRKRIVLMFI-IAGOWNOFSA-N 2 0 289.423 2.598 20 0 CFADRP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000382138558 382529014 /nfs/dbraw/zinc/52/90/14/382529014.db2.gz OHGFWRKIMHSZFY-OIISXLGYSA-N 2 0 258.409 2.987 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000381483354 382522143 /nfs/dbraw/zinc/52/21/43/382522143.db2.gz FUNBQKBWKIHQSV-UPJWGTAASA-N 2 0 258.356 2.638 20 0 CFADRP Cn1cc(CCC[NH2+]CCC[N@H+](C)C2CCCCC2)cn1 ZINC000314888873 382527548 /nfs/dbraw/zinc/52/75/48/382527548.db2.gz MHWVFYJRTWVERP-UHFFFAOYSA-N 2 0 292.471 2.597 20 0 CFADRP CCCN(CC[C@H]1CCC[N@@H+]1C)CC[NH+]1CCCCC1 ZINC000353153673 382500090 /nfs/dbraw/zinc/50/00/90/382500090.db2.gz ZMJGLJBBROMRMD-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP Cc1[nH+]ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000310950469 382500470 /nfs/dbraw/zinc/50/04/70/382500470.db2.gz YSGPYLCJQSGBDD-NSHDSACASA-N 2 0 265.788 2.940 20 0 CFADRP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311730171 382507092 /nfs/dbraw/zinc/50/70/92/382507092.db2.gz QXRRAXXXUWJYRL-MELADBBJSA-N 2 0 262.372 2.818 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379621117 382508267 /nfs/dbraw/zinc/50/82/67/382508267.db2.gz FBKRBYVPBQMDDA-RYRKJORJSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](C[NH2+]C1CC2(C1)CCCCC2)CN1CC[NH+](C)CC1 ZINC000421331284 382510734 /nfs/dbraw/zinc/51/07/34/382510734.db2.gz ZYUYPEPKCGVTHM-MRXNPFEDSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC2(C1)CCCCC2 ZINC000421338782 382511344 /nfs/dbraw/zinc/51/13/44/382511344.db2.gz FSBCDURAJWZHNS-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353179339 382515711 /nfs/dbraw/zinc/51/57/11/382515711.db2.gz ZPRHQMCYHWUEAD-ZDUSSCGKSA-N 2 0 274.412 2.945 20 0 CFADRP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1CCC2 ZINC000380805008 382516108 /nfs/dbraw/zinc/51/61/08/382516108.db2.gz XJTXIHAVOPLBKK-HDICACEKSA-N 2 0 270.420 2.607 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000358236326 382519238 /nfs/dbraw/zinc/51/92/38/382519238.db2.gz ZWWFDBOFEHSRHV-KSSFIOAISA-N 2 0 272.436 2.864 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCCO1 ZINC000346839483 382538215 /nfs/dbraw/zinc/53/82/15/382538215.db2.gz TYRQHEOZGHDVMW-QSJFSLAZSA-N 2 0 280.456 2.797 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000346844148 382540890 /nfs/dbraw/zinc/54/08/90/382540890.db2.gz YWBHKRUGHLQHSI-HIFRSBDPSA-N 2 0 288.391 2.552 20 0 CFADRP COc1c(C)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000346845340 382541190 /nfs/dbraw/zinc/54/11/90/382541190.db2.gz MYLQHKOJNMQYNP-ULQDDVLXSA-N 2 0 288.435 2.871 20 0 CFADRP c1oc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383417895 382542986 /nfs/dbraw/zinc/54/29/86/382542986.db2.gz OXNHXBUQNBTTMY-OKILXGFUSA-N 2 0 270.376 2.864 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346856384 382546776 /nfs/dbraw/zinc/54/67/76/382546776.db2.gz VWTSJWDZMWSERT-OWYFMNJBSA-N 2 0 250.430 2.872 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC000346863009 382550051 /nfs/dbraw/zinc/55/00/51/382550051.db2.gz LRZUIKPVCOWWSE-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCOCc2ccccc2)CC[NH2+]1 ZINC000384153780 382550457 /nfs/dbraw/zinc/55/04/57/382550457.db2.gz JWXJJWONZCPZSV-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366878501 382552058 /nfs/dbraw/zinc/55/20/58/382552058.db2.gz FLKLZPLGIPLFBG-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353494803 382553609 /nfs/dbraw/zinc/55/36/09/382553609.db2.gz FLXYJCUXLZWOIV-XDNAFOTISA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)CC(C)(C)C)N1CC[NH+](C)CC1 ZINC000384637796 382556320 /nfs/dbraw/zinc/55/63/20/382556320.db2.gz AILYZUFHDLPMNF-HOTGVXAUSA-N 2 0 283.504 2.673 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C2(C)CC2)CC[NH+](C)CC1 ZINC000353610443 382576795 /nfs/dbraw/zinc/57/67/95/382576795.db2.gz MPLCYLFAMKHDIA-LBPRGKRZSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367307963 382563708 /nfs/dbraw/zinc/56/37/08/382563708.db2.gz AKFGZKMDPNYWNW-CQSZACIVSA-N 2 0 250.430 2.839 20 0 CFADRP OC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000353596446 382569684 /nfs/dbraw/zinc/56/96/84/382569684.db2.gz RCFUSUUSNRNETB-ARWYELJZSA-N 2 0 280.456 2.677 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@H]2CCC[C@H]21 ZINC000353601015 382572905 /nfs/dbraw/zinc/57/29/05/382572905.db2.gz AAMPVCUJPWAJRH-SOLBZPMBSA-N 2 0 298.434 2.568 20 0 CFADRP C[C@H]1CN(CCC[NH2+][C@@H]2CCC23CCCC3)C[C@H](C)O1 ZINC000189049017 382532226 /nfs/dbraw/zinc/53/22/26/382532226.db2.gz YSWFWEKHLSVVRA-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000353279219 382532775 /nfs/dbraw/zinc/53/27/75/382532775.db2.gz QXQXSIUZHXWBER-BBWFWOEESA-N 2 0 292.467 2.677 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]12 ZINC000346828967 382533527 /nfs/dbraw/zinc/53/35/27/382533527.db2.gz NXSCPBMPYMWZQH-RCCFBDPRSA-N 2 0 293.414 2.918 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC12CCCC2)N1CC[NH+](C)CC1 ZINC000189058728 382533930 /nfs/dbraw/zinc/53/39/30/382533930.db2.gz PKSGMUJXOBJSPD-IRXDYDNUSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346831642 382534181 /nfs/dbraw/zinc/53/41/81/382534181.db2.gz QJJYCRVEZAQKSK-YUTCNCBUSA-N 2 0 279.453 2.826 20 0 CFADRP CC[C@](C)(C[NH2+]CCC[N@@H+]1CCCC[C@H]1C)OC ZINC000319586040 382534843 /nfs/dbraw/zinc/53/48/43/382534843.db2.gz HQAJXTHLHZHZBD-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Cl ZINC000346840696 382537386 /nfs/dbraw/zinc/53/73/86/382537386.db2.gz GGXSLOFRTWITJS-GUTXKFCHSA-N 2 0 264.800 2.818 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346838779 382537742 /nfs/dbraw/zinc/53/77/42/382537742.db2.gz RJCAEJAOUYRWNI-SIUPPRGNSA-N 2 0 288.435 2.858 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@@H]21 ZINC000346840296 382537799 /nfs/dbraw/zinc/53/77/99/382537799.db2.gz TYYOBRUNGYFVMS-BHYGNILZSA-N 2 0 296.418 2.636 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000367747556 382585447 /nfs/dbraw/zinc/58/54/47/382585447.db2.gz UJXBGPIKJHKKNJ-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000367739926 382585686 /nfs/dbraw/zinc/58/56/86/382585686.db2.gz YGQCUZLSLKXHCA-OKZBNKHCSA-N 2 0 270.420 2.616 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)[C@H]2CCC[C@@H]21 ZINC000353631603 382587222 /nfs/dbraw/zinc/58/72/22/382587222.db2.gz MERQWEFAYHFJGK-SQNIBIBYSA-N 2 0 286.419 2.679 20 0 CFADRP CCCc1nc2ccccc2n1C[C@@H](O)C[N@H+](C)C(C)C ZINC000386713384 382591465 /nfs/dbraw/zinc/59/14/65/382591465.db2.gz QKLZYVQQRXCELP-AWEZNQCLSA-N 2 0 289.423 2.690 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000358369266 382591993 /nfs/dbraw/zinc/59/19/93/382591993.db2.gz PSKXGPCYPLFGLV-KSSFIOAISA-N 2 0 298.434 2.517 20 0 CFADRP COc1ccccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387291877 382597156 /nfs/dbraw/zinc/59/71/56/382597156.db2.gz IIAKSEDFIROKCO-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000353656045 382597176 /nfs/dbraw/zinc/59/71/76/382597176.db2.gz ZJFMWKMPENCQSL-SFHVURJKSA-N 2 0 287.451 2.740 20 0 CFADRP CC(C)n1cncc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387375659 382598269 /nfs/dbraw/zinc/59/82/69/382598269.db2.gz XKKBYMXDQRMIIN-UHFFFAOYSA-N 2 0 266.433 2.674 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000387499242 382598840 /nfs/dbraw/zinc/59/88/40/382598840.db2.gz FUIMMJGAQIIOJX-HNNXBMFYSA-N 2 0 291.439 2.711 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000295261673 382601782 /nfs/dbraw/zinc/60/17/82/382601782.db2.gz UZUYRGWNVIKADW-NWDGAFQWSA-N 2 0 270.367 2.998 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000353676816 382601945 /nfs/dbraw/zinc/60/19/45/382601945.db2.gz WVFDTVBTAPAPJF-KXNHARMFSA-N 2 0 264.335 2.647 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@@]1(C)C[NH3+] ZINC000388555332 382607606 /nfs/dbraw/zinc/60/76/06/382607606.db2.gz XQBFXYGPHFUQCU-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000388740951 382609258 /nfs/dbraw/zinc/60/92/58/382609258.db2.gz JJGPQAZNEICVQE-PMPSAXMXSA-N 2 0 269.477 2.616 20 0 CFADRP CCC(CC)(CC)C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000391297706 382620571 /nfs/dbraw/zinc/62/05/71/382620571.db2.gz SIOHEBNRTHVFIQ-UHFFFAOYSA-N 2 0 270.461 2.809 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000392202447 382621781 /nfs/dbraw/zinc/62/17/81/382621781.db2.gz ABGKCUQPHUKFKZ-UHFFFAOYSA-N 2 0 255.365 2.519 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(F)c1F)C1CC[NH+](C)CC1 ZINC000396443118 382631371 /nfs/dbraw/zinc/63/13/71/382631371.db2.gz BFASJHYIHGMXKD-LLVKDONJSA-N 2 0 268.351 2.785 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367638665 382579114 /nfs/dbraw/zinc/57/91/14/382579114.db2.gz POMSNYUQIMKVJQ-RCCFBDPRSA-N 2 0 293.499 2.569 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC000358345822 382579602 /nfs/dbraw/zinc/57/96/02/382579602.db2.gz OZOFPFAFLPWNKN-NVXWUHKLSA-N 2 0 272.436 2.939 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358345440 382580355 /nfs/dbraw/zinc/58/03/55/382580355.db2.gz ZLDCUDSKIJTBGB-YESZJQIVSA-N 2 0 281.488 2.569 20 0 CFADRP CC1(C)C[N@H+](CCn2ccnc2)CC[C@H]1C(F)(F)F ZINC000190177324 382656012 /nfs/dbraw/zinc/65/60/12/382656012.db2.gz HPSIXRSXCAEUJU-LLVKDONJSA-N 2 0 275.318 2.794 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(OC)ns1 ZINC000399105691 382637509 /nfs/dbraw/zinc/63/75/09/382637509.db2.gz JHRMTQVAOBNDBY-GFCCVEGCSA-N 2 0 285.457 2.752 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000191840365 382702805 /nfs/dbraw/zinc/70/28/05/382702805.db2.gz UILWFLVTADTTEQ-HOTGVXAUSA-N 2 0 278.444 2.688 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000192020323 382704212 /nfs/dbraw/zinc/70/42/12/382704212.db2.gz JXHWEWMXGSUNBW-JWTNVVGKSA-N 2 0 297.402 2.668 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422786228 532950926 /nfs/dbraw/zinc/95/09/26/532950926.db2.gz KLIBOGOMLMADJN-WLYUNCDWSA-N 2 0 292.423 2.570 20 0 CFADRP CCO[C@@H](C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000193426298 382719717 /nfs/dbraw/zinc/71/97/17/382719717.db2.gz LKHYNFMZFFXLDT-ZVZYQTTQSA-N 2 0 288.435 2.979 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1 ZINC000575051843 382725218 /nfs/dbraw/zinc/72/52/18/382725218.db2.gz NSZMSCZTDCYSHC-BZUAXINKSA-N 2 0 273.424 2.743 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(OC)c1 ZINC000336832806 382726790 /nfs/dbraw/zinc/72/67/90/382726790.db2.gz FTEIOZFWVRNSCO-STQMWFEESA-N 2 0 280.412 2.872 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194027961 382732906 /nfs/dbraw/zinc/73/29/06/382732906.db2.gz GBKFSVFIPLRWRF-QBPKDAKJSA-N 2 0 292.467 2.654 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000195231557 382764677 /nfs/dbraw/zinc/76/46/77/382764677.db2.gz KLWXOFDAKZRVAP-GOSISDBHSA-N 2 0 297.402 2.609 20 0 CFADRP Cc1cc(C)cc([C@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000219324214 382793711 /nfs/dbraw/zinc/79/37/11/382793711.db2.gz LEAABFOAKZOVGY-HNNXBMFYSA-N 2 0 264.413 2.532 20 0 CFADRP C[N@H+](CCCCC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000337171469 382771303 /nfs/dbraw/zinc/77/13/03/382771303.db2.gz FWRRVOHTHAFENT-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CCC[C@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000337210758 382778018 /nfs/dbraw/zinc/77/80/18/382778018.db2.gz CXFUMRZJUFADNT-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP CC[C@H]1CC[C@H](C)[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337288039 382794818 /nfs/dbraw/zinc/79/48/18/382794818.db2.gz AMSWRSHVGSHQGB-IRXDYDNUSA-N 2 0 281.488 2.665 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000194255731 382738779 /nfs/dbraw/zinc/73/87/79/382738779.db2.gz SYNUWEVCTOMRKX-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP C=Cn1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000194356428 382741827 /nfs/dbraw/zinc/74/18/27/382741827.db2.gz LMXAVSYTTUDOQJ-UHFFFAOYSA-N 2 0 290.455 2.831 20 0 CFADRP CSc1ccccc1[C@H](C)[NH2+]CCn1ccnc1 ZINC000194834291 382755425 /nfs/dbraw/zinc/75/54/25/382755425.db2.gz ZRMXAIWHSSCZIC-LBPRGKRZSA-N 2 0 261.394 2.956 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219316862 382793317 /nfs/dbraw/zinc/79/33/17/382793317.db2.gz ZTOQQEORVMPZGO-OAHLLOKOSA-N 2 0 294.439 2.703 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@H]21 ZINC000228475686 382847019 /nfs/dbraw/zinc/84/70/19/382847019.db2.gz OXDRUHVLLPYKHL-UMVBOHGHSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(F)c3F)C[C@H]21 ZINC000228475648 382847169 /nfs/dbraw/zinc/84/71/69/382847169.db2.gz BRJGZHRWIYKAFY-ZKYQVNSYSA-N 2 0 266.335 2.524 20 0 CFADRP CSc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414861414 532957462 /nfs/dbraw/zinc/95/74/62/532957462.db2.gz WPFPOCZQKKOCAS-GXTWGEPZSA-N 2 0 264.438 2.886 20 0 CFADRP Cc1nc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)[nH]c1C ZINC000577125118 382848931 /nfs/dbraw/zinc/84/89/31/382848931.db2.gz MFMWSLDTOKLQPJ-UHFFFAOYSA-N 2 0 292.471 2.874 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220337684 382796035 /nfs/dbraw/zinc/79/60/35/382796035.db2.gz FLWAIEXGGNGGNS-CMPLNLGQSA-N 2 0 288.313 2.754 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221880703 382799826 /nfs/dbraw/zinc/79/98/26/382799826.db2.gz DCCCBLGJJXYJAM-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP C([NH2+][C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000221846063 382799940 /nfs/dbraw/zinc/79/99/40/382799940.db2.gz UIZLIEYAUHVURZ-KEMJDWOPSA-N 2 0 274.452 2.885 20 0 CFADRP CC(C)COCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337324914 382801815 /nfs/dbraw/zinc/80/18/15/382801815.db2.gz UUPNZQMQCAUHDK-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000222370273 382801862 /nfs/dbraw/zinc/80/18/62/382801862.db2.gz YKEJXMYVRUKDDG-KZNAEPCWSA-N 2 0 290.451 2.615 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000229033956 382850036 /nfs/dbraw/zinc/85/00/36/382850036.db2.gz KAELCGCRBFZKOO-QWHCGFSZSA-N 2 0 250.361 2.693 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000337327633 382802082 /nfs/dbraw/zinc/80/20/82/382802082.db2.gz DJBFHFLVMXRMLG-OAHLLOKOSA-N 2 0 258.450 2.898 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000337343421 382806470 /nfs/dbraw/zinc/80/64/70/382806470.db2.gz SHNVSLXPQWDVCM-UHFFFAOYSA-N 2 0 276.424 2.833 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000337345926 382806917 /nfs/dbraw/zinc/80/69/17/382806917.db2.gz VPDYNFDJKADLKJ-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cccc2c1ccnc2NCCN1CCOC[C@H]1C ZINC000576103216 382810500 /nfs/dbraw/zinc/81/05/00/382810500.db2.gz ONEIQTGNBGYXTP-CQSZACIVSA-N 2 0 285.391 2.676 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)oc1C ZINC000337373654 382811031 /nfs/dbraw/zinc/81/10/31/382811031.db2.gz AAZFNYZMZUEMQJ-CQSZACIVSA-N 2 0 293.455 2.573 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000337384712 382813240 /nfs/dbraw/zinc/81/32/40/382813240.db2.gz GZRUIJQILFIYAG-CABCVRRESA-N 2 0 293.455 2.573 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC(OCc2ccccc2)C1 ZINC000576218916 382814476 /nfs/dbraw/zinc/81/44/76/382814476.db2.gz CECGCPIOUHWASK-OOHWJJMZSA-N 2 0 276.424 2.841 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CC12CCSCC2 ZINC000576217945 382814638 /nfs/dbraw/zinc/81/46/38/382814638.db2.gz JHQDFWKMTXETFZ-OAHLLOKOSA-N 2 0 294.508 2.984 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000576227484 382814904 /nfs/dbraw/zinc/81/49/04/382814904.db2.gz XTODLBBHDPEKEA-OAHLLOKOSA-N 2 0 296.418 2.704 20 0 CFADRP CC[C@H](C)[N@H+](C)C[C@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000337397530 382815144 /nfs/dbraw/zinc/81/51/44/382815144.db2.gz GFPYIEBAJZRMBY-NUEKZKHPSA-N 2 0 261.413 2.805 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000225396971 382815378 /nfs/dbraw/zinc/81/53/78/382815378.db2.gz OKDYZMXPXMSGCS-JJRVBVJISA-N 2 0 276.424 2.651 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000337406132 382816388 /nfs/dbraw/zinc/81/63/88/382816388.db2.gz SPMHAFYIZWLMHU-ULQDDVLXSA-N 2 0 282.472 2.903 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000337406129 382816498 /nfs/dbraw/zinc/81/64/98/382816498.db2.gz SPMHAFYIZWLMHU-IKGGRYGDSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000337412292 382817183 /nfs/dbraw/zinc/81/71/83/382817183.db2.gz WZSQOGUURRFRGB-DZGCQCFKSA-N 2 0 280.460 2.890 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000337434421 382820546 /nfs/dbraw/zinc/82/05/46/382820546.db2.gz WBZRCUZAJWWCPB-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000337455537 382823852 /nfs/dbraw/zinc/82/38/52/382823852.db2.gz HNQBCZSVSUADEV-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226435312 382828796 /nfs/dbraw/zinc/82/87/96/382828796.db2.gz DJMKWYSNRSEWBI-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C)n(C)n2)CC1 ZINC000337496803 382832313 /nfs/dbraw/zinc/83/23/13/382832313.db2.gz YRHCDAVIIKRZRD-CQSZACIVSA-N 2 0 278.444 2.501 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227066780 382832558 /nfs/dbraw/zinc/83/25/58/382832558.db2.gz KSWAZEOHKNQRIE-WMLDXEAASA-N 2 0 292.423 2.523 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000227295380 382835295 /nfs/dbraw/zinc/83/52/95/382835295.db2.gz XVVXKPYRMHFDNI-NVXWUHKLSA-N 2 0 285.435 2.571 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)oc1C ZINC000337514775 382835621 /nfs/dbraw/zinc/83/56/21/382835621.db2.gz LATKPTPTYKMWMM-LBPRGKRZSA-N 2 0 250.386 2.889 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2F)CC1 ZINC000227328109 382835776 /nfs/dbraw/zinc/83/57/76/382835776.db2.gz YUXJUPCNVXJFBG-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000337551519 382840650 /nfs/dbraw/zinc/84/06/50/382840650.db2.gz OVCXTDNJNMWPFV-BBRMVZONSA-N 2 0 271.408 2.640 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000337551522 382840718 /nfs/dbraw/zinc/84/07/18/382840718.db2.gz OVCXTDNJNMWPFV-CZUORRHYSA-N 2 0 271.408 2.640 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228193282 382845684 /nfs/dbraw/zinc/84/56/84/382845684.db2.gz VLCMMBIQHPYSFB-XYPHTWIQSA-N 2 0 274.408 2.540 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000229936401 382854354 /nfs/dbraw/zinc/85/43/54/382854354.db2.gz QAEJOXDJOZCVLY-OKZBNKHCSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1ncc(C[NH2+]CCC[C@@H](C)CO)n1-c1ccccc1 ZINC000230160649 382856769 /nfs/dbraw/zinc/85/67/69/382856769.db2.gz DSAVJBDGYNRKAN-CQSZACIVSA-N 2 0 287.407 2.679 20 0 CFADRP C/C(=C/c1ccccc1)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000236697599 382909151 /nfs/dbraw/zinc/90/91/51/382909151.db2.gz ZBSJUXMZCSVNRY-PEZBUJJGSA-N 2 0 288.435 2.526 20 0 CFADRP OCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000577482204 382860469 /nfs/dbraw/zinc/86/04/69/382860469.db2.gz JZIAJJZCKHQAHQ-RCCFBDPRSA-N 2 0 288.435 2.579 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000232612325 382868929 /nfs/dbraw/zinc/86/89/29/382868929.db2.gz FNFJRWRZOPYPJV-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000235413431 382881064 /nfs/dbraw/zinc/88/10/64/382881064.db2.gz TULIQSIADOECEL-HLLBOEOZSA-N 2 0 258.409 2.864 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578323649 382910784 /nfs/dbraw/zinc/91/07/84/382910784.db2.gz RFZDXWMVCXJWFV-SJORKVTESA-N 2 0 288.435 2.614 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414915790 532960966 /nfs/dbraw/zinc/96/09/66/532960966.db2.gz NDBCSUXDKWAETI-ZDUSSCGKSA-N 2 0 250.411 2.640 20 0 CFADRP COCC(C)(C)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000494375929 382912148 /nfs/dbraw/zinc/91/21/48/382912148.db2.gz HDAQICIAMRGERV-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000494926640 382943159 /nfs/dbraw/zinc/94/31/59/382943159.db2.gz VDWCXLIIXDQFCF-JKIFEVAISA-N 2 0 276.424 2.761 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000535052880 382946666 /nfs/dbraw/zinc/94/66/66/382946666.db2.gz PTPNRHMOAOXTMI-QGZVFWFLSA-N 3 0 281.488 2.523 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000442710348 382947096 /nfs/dbraw/zinc/94/70/96/382947096.db2.gz PUXNXCDVANMNHO-PNESKVBLSA-N 2 0 272.383 2.884 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(C/C=C\c2ccncc2)C1 ZINC000494990439 382950868 /nfs/dbraw/zinc/95/08/68/382950868.db2.gz AEZIPQKGDCWNEK-KEGWNNHHSA-N 2 0 273.424 2.759 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000442751148 382952252 /nfs/dbraw/zinc/95/22/52/382952252.db2.gz BRWZSPVCSXENFS-CHWSQXEVSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535086008 382952816 /nfs/dbraw/zinc/95/28/16/382952816.db2.gz IRXGSCNLOXXAEI-HOTGVXAUSA-N 2 0 296.499 2.980 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@@H]2CCC[C@@H]21 ZINC000421869944 382954971 /nfs/dbraw/zinc/95/49/71/382954971.db2.gz FETYKTFXUKBORA-VGWMRTNUSA-N 2 0 294.508 2.982 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442782320 382955732 /nfs/dbraw/zinc/95/57/32/382955732.db2.gz QSSJTABGJNTGRV-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000495060062 382956694 /nfs/dbraw/zinc/95/66/94/382956694.db2.gz PXZVDBSDWJEPKF-CPUCHLNUSA-N 2 0 273.424 2.932 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727685 532964744 /nfs/dbraw/zinc/96/47/44/532964744.db2.gz DCLPOXPHDRYHGY-BDAKNGLRSA-N 2 0 289.192 2.804 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cn1 ZINC000578868246 382961701 /nfs/dbraw/zinc/96/17/01/382961701.db2.gz VVMZXSLFAIFITQ-HNNXBMFYSA-N 2 0 273.355 2.920 20 0 CFADRP Cc1cc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc(C)n1 ZINC000421893160 382962887 /nfs/dbraw/zinc/96/28/87/382962887.db2.gz WVPDKCNXDCLAKX-DJSGYFEHSA-N 2 0 261.413 2.517 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000494748348 382925913 /nfs/dbraw/zinc/92/59/13/382925913.db2.gz XZJURSWLLZPZRY-INIZCTEOSA-N 2 0 288.435 2.702 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCCC2)C1 ZINC000421824481 382934465 /nfs/dbraw/zinc/93/44/65/382934465.db2.gz IYIHBXYRXUWICZ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422697595 382974852 /nfs/dbraw/zinc/97/48/52/382974852.db2.gz VGOZCSSQCQKZCW-QZTJIDSGSA-N 3 0 289.467 2.745 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422727977 382975883 /nfs/dbraw/zinc/97/58/83/382975883.db2.gz IKPUJFIQXXUNOQ-FHLIZLRMSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000422752286 382977869 /nfs/dbraw/zinc/97/78/69/382977869.db2.gz CMQIARDRDFMRJW-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000422758760 382978053 /nfs/dbraw/zinc/97/80/53/382978053.db2.gz KRAOQGQOPMFXEF-ZOBUZTSGSA-N 2 0 298.434 2.911 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000422754776 382978302 /nfs/dbraw/zinc/97/83/02/382978302.db2.gz GDXBMJBDPZRWER-CVEARBPZSA-N 2 0 268.445 2.975 20 0 CFADRP Cc1ccc([C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775204 382978996 /nfs/dbraw/zinc/97/89/96/382978996.db2.gz ANSFONZVBVINMG-NXHRZFHOSA-N 2 0 289.467 2.718 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422784850 382979487 /nfs/dbraw/zinc/97/94/87/382979487.db2.gz MNMFAERIJUPBRB-HUUCEWRRSA-N 2 0 286.423 2.594 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422793133 382979510 /nfs/dbraw/zinc/97/95/10/382979510.db2.gz RRSTZGIDOHTFSC-YHUYYLMFSA-N 2 0 260.381 2.678 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000422787669 382979923 /nfs/dbraw/zinc/97/99/23/382979923.db2.gz UWEOKBPEINOAFD-BLLLJJGKSA-N 2 0 262.397 2.790 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](CC)CC)C1CCOCC1 ZINC000338294622 382980329 /nfs/dbraw/zinc/98/03/29/382980329.db2.gz CFEMVUIYVOLFFD-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422805872 382980737 /nfs/dbraw/zinc/98/07/37/382980737.db2.gz JXUACGVCJAHSAR-LESCRADOSA-N 2 0 288.435 2.660 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422811727 382980876 /nfs/dbraw/zinc/98/08/76/382980876.db2.gz WKEGAZPRINDNGK-DLBZAZTESA-N 2 0 281.488 2.891 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)C[C@H](C)[NH3+])C1CCCC1 ZINC000422817845 382982273 /nfs/dbraw/zinc/98/22/73/382982273.db2.gz DXZHPDQIAISPJY-GZBFAFLISA-N 2 0 256.434 2.687 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422829340 382982384 /nfs/dbraw/zinc/98/23/84/382982384.db2.gz HHTJQAGWNBXXRA-BQFCYCMXSA-N 2 0 287.451 2.620 20 0 CFADRP Cc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422824444 382982522 /nfs/dbraw/zinc/98/25/22/382982522.db2.gz HGEXSAUIEZDCJN-BQFCYCMXSA-N 2 0 289.467 2.847 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422842321 382983161 /nfs/dbraw/zinc/98/31/61/382983161.db2.gz YBHDKNBHNQOXIL-CSMYWGQOSA-N 2 0 267.376 2.747 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843010 382983452 /nfs/dbraw/zinc/98/34/52/382983452.db2.gz GRYOALXWJOSZOG-BBRMVZONSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422838634 382983977 /nfs/dbraw/zinc/98/39/77/382983977.db2.gz XWEUJNWNKYPGRE-JQHSSLGASA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422848546 382984182 /nfs/dbraw/zinc/98/41/82/382984182.db2.gz KDQMONSEVRGSQN-KXNHARMFSA-N 2 0 264.335 2.825 20 0 CFADRP CC[NH+](CC)CCCN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000338309531 382986785 /nfs/dbraw/zinc/98/67/85/382986785.db2.gz VOMYVVANYRFMDT-HOTGVXAUSA-N 2 0 269.477 2.523 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422901810 382987353 /nfs/dbraw/zinc/98/73/53/382987353.db2.gz CKNDQLLSYBMIRO-ZOBUZTSGSA-N 2 0 258.409 2.824 20 0 CFADRP CN(CC[NH2+][C@H]1CCC12CCOCC2)C1CCCCC1 ZINC000548861158 382988198 /nfs/dbraw/zinc/98/81/98/382988198.db2.gz MPKPHYDVLIRUBW-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000422939046 382988396 /nfs/dbraw/zinc/98/83/96/382988396.db2.gz FLOXRXQVXXUBDU-CABCVRRESA-N 2 0 254.418 2.585 20 0 CFADRP CC(C)COC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccco1 ZINC000422971493 382990615 /nfs/dbraw/zinc/99/06/15/382990615.db2.gz IUCRINYROYONKA-KBPBESRZSA-N 2 0 268.401 2.710 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000548885313 382990620 /nfs/dbraw/zinc/99/06/20/382990620.db2.gz ULVUITNVCXDCIN-KFWWJZLASA-N 2 0 256.409 2.836 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccco1 ZINC000422977139 382992207 /nfs/dbraw/zinc/99/22/07/382992207.db2.gz WFHGWGNSEDSLFH-OWCLPIDISA-N 2 0 293.455 2.640 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422977111 382992652 /nfs/dbraw/zinc/99/26/52/382992652.db2.gz JMVONTAFQVIOCA-UHOFOFEASA-N 2 0 262.397 2.573 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CCC[NH+]1CCCCC1)CO2 ZINC000338327557 382993345 /nfs/dbraw/zinc/99/33/45/382993345.db2.gz ZBWYXZIZYZSJPA-KRWDZBQOSA-N 2 0 288.435 2.846 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000422981895 382995474 /nfs/dbraw/zinc/99/54/74/382995474.db2.gz PNRFACJPBBIVTM-CYBMUJFWSA-N 2 0 295.430 2.914 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccccc2Cl)CC1)C1C[NH2+]C1 ZINC000423023086 383017643 /nfs/dbraw/zinc/01/76/43/383017643.db2.gz IWZQHEWSRSTSQE-LLVKDONJSA-N 2 0 264.800 2.569 20 0 CFADRP CC(C)CN1CCCC[C@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000447575863 382998174 /nfs/dbraw/zinc/99/81/74/382998174.db2.gz VGUUNMMLHJWQAE-QAETUUGQSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)CN1CCCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000447575862 382998640 /nfs/dbraw/zinc/99/86/40/382998640.db2.gz VGUUNMMLHJWQAE-NXOAAHMSSA-N 2 0 294.483 2.900 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447849569 383017859 /nfs/dbraw/zinc/01/78/59/383017859.db2.gz QKKSFBZZIXRHTC-UHFFFAOYSA-N 2 0 272.396 2.508 20 0 CFADRP COc1cccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000422989987 382999106 /nfs/dbraw/zinc/99/91/06/382999106.db2.gz BIGIRHFSQUHBPQ-GOEBONIOSA-N 2 0 291.439 2.533 20 0 CFADRP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCOC2)cc1 ZINC000422996090 383001154 /nfs/dbraw/zinc/00/11/54/383001154.db2.gz SETWMGUAYLPPKT-HVVXOQGOSA-N 2 0 286.419 2.637 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ccccn1 ZINC000422995548 383001255 /nfs/dbraw/zinc/00/12/55/383001255.db2.gz KISSFHOROBXYNQ-MAUKXSAKSA-N 2 0 283.419 2.562 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422995892 383001927 /nfs/dbraw/zinc/00/19/27/383001927.db2.gz ZUXINNBWUXFJSC-DOTOQJQBSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000423001347 383004402 /nfs/dbraw/zinc/00/44/02/383004402.db2.gz HYWKHIDCFWBVEP-ZIAGYGMSSA-N 2 0 282.815 2.968 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423002492 383005383 /nfs/dbraw/zinc/00/53/83/383005383.db2.gz JJTIVYVOMIWFIO-FZMZJTMJSA-N 2 0 282.815 2.956 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423004010 383007071 /nfs/dbraw/zinc/00/70/71/383007071.db2.gz OBAQKMNEOCQHJP-PVAVHDDUSA-N 2 0 292.467 2.578 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000423004968 383007346 /nfs/dbraw/zinc/00/73/46/383007346.db2.gz LEOJHIPNCNZZAZ-CZUORRHYSA-N 2 0 299.418 2.851 20 0 CFADRP C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000423012227 383009514 /nfs/dbraw/zinc/00/95/14/383009514.db2.gz CNHRNGDIMKIFHH-XJKSGUPXSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000423007866 383009892 /nfs/dbraw/zinc/00/98/92/383009892.db2.gz YVWYGKCNCBRJEM-UMVBOHGHSA-N 2 0 262.397 2.658 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1c(C)noc1C ZINC000423012962 383011699 /nfs/dbraw/zinc/01/16/99/383011699.db2.gz LQIZHVUCSIRNKB-ZWNOBZJWSA-N 2 0 253.390 2.850 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000579408766 383012722 /nfs/dbraw/zinc/01/27/22/383012722.db2.gz PIHZJNUQLKHAMM-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423017855 383013417 /nfs/dbraw/zinc/01/34/17/383013417.db2.gz XGDGJODBLBRBTF-MAUKXSAKSA-N 2 0 298.434 2.724 20 0 CFADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423019081 383015210 /nfs/dbraw/zinc/01/52/10/383015210.db2.gz TWPIAVFCRQGIRP-JJRVBVJISA-N 2 0 294.439 2.878 20 0 CFADRP COCC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000338389474 383015850 /nfs/dbraw/zinc/01/58/50/383015850.db2.gz TZEWXFSNLYNIGB-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)c3ccccc32)CC[N@@H+]1C ZINC000245732486 383028727 /nfs/dbraw/zinc/02/87/27/383028727.db2.gz IYNWGKCJQIOQTK-BZUAXINKSA-N 2 0 287.451 2.682 20 0 CFADRP COCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245728464 383028821 /nfs/dbraw/zinc/02/88/21/383028821.db2.gz PWRBKLYPEIHGMV-BCDXTJNWSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423046139 383029004 /nfs/dbraw/zinc/02/90/04/383029004.db2.gz DHDWLUNDNCIOKG-LBPRGKRZSA-N 2 0 277.387 2.577 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH]nc2C(C)(C)C)[C@@H](C)C1 ZINC000245735362 383029539 /nfs/dbraw/zinc/02/95/39/383029539.db2.gz KPRHYYUQLUBLPM-DZGCQCFKSA-N 2 0 292.471 2.869 20 0 CFADRP COCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C)o1 ZINC000423049489 383030085 /nfs/dbraw/zinc/03/00/85/383030085.db2.gz XUCHKXGMOLJLND-GXTWGEPZSA-N 2 0 268.401 2.773 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CSc1ccc(C)cc1 ZINC000423051706 383031455 /nfs/dbraw/zinc/03/14/55/383031455.db2.gz OAWDJFRCRZJKNK-HUUCEWRRSA-N 2 0 296.480 2.819 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423054721 383032639 /nfs/dbraw/zinc/03/26/39/383032639.db2.gz UUNQFCDQUBVVEN-NWDGAFQWSA-N 2 0 277.387 2.575 20 0 CFADRP CC(C)c1[nH+]c(CN(C)Cc2nccn2C)c2ccccn21 ZINC000550954778 383032982 /nfs/dbraw/zinc/03/29/82/383032982.db2.gz FSRUJAWOYYYFPS-UHFFFAOYSA-N 2 0 297.406 2.823 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423053618 383033107 /nfs/dbraw/zinc/03/31/07/383033107.db2.gz AVPAPNGBHBGBQT-UONOGXRCSA-N 2 0 263.429 2.747 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423053614 383033154 /nfs/dbraw/zinc/03/31/54/383033154.db2.gz AVPAPNGBHBGBQT-KBPBESRZSA-N 2 0 263.429 2.747 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423056311 383034307 /nfs/dbraw/zinc/03/43/07/383034307.db2.gz XYWVRPWMZWQHFF-XQLPTFJDSA-N 2 0 268.445 2.699 20 0 CFADRP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423055707 383034679 /nfs/dbraw/zinc/03/46/79/383034679.db2.gz WHZYRMQINGJWSR-OLMNPRSZSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423055661 383034783 /nfs/dbraw/zinc/03/47/83/383034783.db2.gz WUUOEDFTFBDYNK-DARAHFNDSA-N 2 0 262.397 2.622 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423058847 383035155 /nfs/dbraw/zinc/03/51/55/383035155.db2.gz KJOSMXLAHBXACQ-MNOVXSKESA-N 2 0 285.229 2.973 20 0 CFADRP COCCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423063501 383036634 /nfs/dbraw/zinc/03/66/34/383036634.db2.gz OUWHURPSUWANQD-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423062718 383036953 /nfs/dbraw/zinc/03/69/53/383036953.db2.gz UVBGDVKSUKVSST-GDBMZVCRSA-N 2 0 275.440 2.748 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423065896 383038489 /nfs/dbraw/zinc/03/84/89/383038489.db2.gz VNSLTOOTLCIFGL-BQFCYCMXSA-N 2 0 289.467 2.757 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423064667 383038886 /nfs/dbraw/zinc/03/88/86/383038886.db2.gz ZKKNMBFIQKILFQ-NSHDSACASA-N 2 0 285.229 2.975 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423069137 383039451 /nfs/dbraw/zinc/03/94/51/383039451.db2.gz DHYLXDSNYDWSOL-XDNAFOTISA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000423068679 383039665 /nfs/dbraw/zinc/03/96/65/383039665.db2.gz KMYPXDXGJRGASE-GVDBMIGSSA-N 2 0 282.472 2.661 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000423079644 383041114 /nfs/dbraw/zinc/04/11/14/383041114.db2.gz RDIUJQUWHAXHPW-XYQBIQKZSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[C@H]1C ZINC000423092958 383041429 /nfs/dbraw/zinc/04/14/29/383041429.db2.gz FAGUBQKJIXWILE-SISKNIMQSA-N 2 0 294.483 2.805 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1F ZINC000579701093 383043602 /nfs/dbraw/zinc/04/36/02/383043602.db2.gz BWVLFVBYIXCMPT-HNNXBMFYSA-N 2 0 250.361 2.866 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423122819 383043726 /nfs/dbraw/zinc/04/37/26/383043726.db2.gz DEJUHCHMPDCPPC-RWMBFGLXSA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423148860 383045419 /nfs/dbraw/zinc/04/54/19/383045419.db2.gz WTRPTYWLIOMZKX-GUTXKFCHSA-N 2 0 276.449 2.983 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158800 383046249 /nfs/dbraw/zinc/04/62/49/383046249.db2.gz DJQKTBQDPVJANJ-IAGOWNOFSA-N 3 0 273.424 2.595 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423155190 383046542 /nfs/dbraw/zinc/04/65/42/383046542.db2.gz KQPQBYWGOMOWLE-BRWVUGGUSA-N 2 0 280.456 2.800 20 0 CFADRP CSCC1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000423165471 383046751 /nfs/dbraw/zinc/04/67/51/383046751.db2.gz XZYOFOBHDWDKPI-FGZQJIAISA-N 2 0 270.486 2.886 20 0 CFADRP COCC1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423180865 383047502 /nfs/dbraw/zinc/04/75/02/383047502.db2.gz KPQCXTRITSSWNU-SMELUJQZSA-N 2 0 274.408 2.926 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)C1(C)C ZINC000423183433 383047521 /nfs/dbraw/zinc/04/75/21/383047521.db2.gz RTYUSQZZZZXBGG-KBPBESRZSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1(C)C ZINC000423183434 383047945 /nfs/dbraw/zinc/04/79/45/383047945.db2.gz RTYUSQZZZZXBGG-KGLIPLIRSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])CC(F)(F)F ZINC000423189465 383048782 /nfs/dbraw/zinc/04/87/82/383048782.db2.gz REHYEBWNKUGJIZ-HBNTYKKESA-N 2 0 252.324 2.825 20 0 CFADRP COc1ccccc1[C@H]([NH2+]CCC[NH3+])C1CCCC1 ZINC000423197499 383048984 /nfs/dbraw/zinc/04/89/84/383048984.db2.gz ZPSXMHPFAUXQBT-MRXNPFEDSA-N 2 0 262.397 2.865 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1(C)C ZINC000423183436 383049037 /nfs/dbraw/zinc/04/90/37/383049037.db2.gz RTYUSQZZZZXBGG-ZIAGYGMSSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nccc2ccccc21 ZINC000423206568 383050529 /nfs/dbraw/zinc/05/05/29/383050529.db2.gz GDOVQMKCEYLJSC-UONOGXRCSA-N 2 0 269.392 2.885 20 0 CFADRP C[NH2+]CCN[C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423223612 383051860 /nfs/dbraw/zinc/05/18/60/383051860.db2.gz GXUADZYDVVKAGS-BXKDBHETSA-N 2 0 283.213 2.806 20 0 CFADRP C[C@@H]1C[C@@H](NCC[NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000423265905 383054143 /nfs/dbraw/zinc/05/41/43/383054143.db2.gz BJNBBYHZVPGPMT-GDBMZVCRSA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000338797578 383054938 /nfs/dbraw/zinc/05/49/38/383054938.db2.gz YGKYBHKLLUPJOA-ZWKOTPCHSA-N 2 0 296.499 2.884 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000338797573 383055058 /nfs/dbraw/zinc/05/50/58/383055058.db2.gz YGKYBHKLLUPJOA-MSOLQXFVSA-N 2 0 296.499 2.884 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423282717 383055640 /nfs/dbraw/zinc/05/56/40/383055640.db2.gz WUNCBSMJKBGLHF-WCQYABFASA-N 2 0 250.386 2.510 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000245987167 383056325 /nfs/dbraw/zinc/05/63/25/383056325.db2.gz QFFLPCVINHKJLK-HZPDHXFCSA-N 2 0 278.444 2.516 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423300717 383056558 /nfs/dbraw/zinc/05/65/58/383056558.db2.gz FAVBMRVITMBKEG-NOZJJQNGSA-N 2 0 283.213 2.621 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000552275104 383079461 /nfs/dbraw/zinc/07/94/61/383079461.db2.gz LAXRGPVBDKHEIH-GBESFXJTSA-N 2 0 284.447 2.864 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CCCc2nc(C)sc21 ZINC000423297201 383056997 /nfs/dbraw/zinc/05/69/97/383056997.db2.gz JDLXBLDUMDDSGL-YPMHNXCESA-N 2 0 267.442 2.936 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000423291136 383057024 /nfs/dbraw/zinc/05/70/24/383057024.db2.gz GZNRXCFPUVGIDW-RUGDWHBFSA-N 3 0 287.451 2.669 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349461 383060074 /nfs/dbraw/zinc/06/00/74/383060074.db2.gz VQMSXRVGVUOJAN-PBHICJAKSA-N 2 0 292.398 2.801 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000423357713 383062019 /nfs/dbraw/zinc/06/20/19/383062019.db2.gz SQQWPIMHDKIEPL-SJORKVTESA-N 2 0 286.419 2.742 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357627 383062674 /nfs/dbraw/zinc/06/26/74/383062674.db2.gz MKWIMMXJROVGNS-BZUAXINKSA-N 2 0 296.455 2.620 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423363683 383064712 /nfs/dbraw/zinc/06/47/12/383064712.db2.gz ASXWBNWOYPSAER-IFIJOSMWSA-N 2 0 274.408 2.803 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000423363816 383065145 /nfs/dbraw/zinc/06/51/45/383065145.db2.gz BWGLDMPWPZQECU-KDOFPFPSSA-N 2 0 285.435 2.947 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423363556 383065264 /nfs/dbraw/zinc/06/52/64/383065264.db2.gz AOUQEVWOWOWKJM-DZKIICNBSA-N 2 0 292.423 2.503 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000423391088 383080122 /nfs/dbraw/zinc/08/01/22/383080122.db2.gz PGQRZHYVNXZFPO-DLBZAZTESA-N 2 0 274.408 2.583 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423368103 383067730 /nfs/dbraw/zinc/06/77/30/383067730.db2.gz CXNRPTGAMMVXSI-LJISPDSOSA-N 2 0 268.445 2.830 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370360 383068443 /nfs/dbraw/zinc/06/84/43/383068443.db2.gz FTDNNMDPZCFFBT-NVXWUHKLSA-N 2 0 274.408 2.585 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@H](C)C1 ZINC000246275812 383070472 /nfs/dbraw/zinc/07/04/72/383070472.db2.gz BBDLXBPPRXYTLE-ZOWXZIJZSA-N 2 0 279.428 2.715 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000423375850 383071457 /nfs/dbraw/zinc/07/14/57/383071457.db2.gz YAJDPGCLSATSOD-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423382860 383075024 /nfs/dbraw/zinc/07/50/24/383075024.db2.gz JXRJNPBPZIMKKV-ZDUSSCGKSA-N 2 0 274.408 2.585 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423030710 383019820 /nfs/dbraw/zinc/01/98/20/383019820.db2.gz UFNUFGAMLZCHRD-RRFJBIMHSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423030819 383019914 /nfs/dbraw/zinc/01/99/14/383019914.db2.gz WKUJGXYATNJLIV-VXGBXAGGSA-N 2 0 299.821 2.775 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423032422 383021481 /nfs/dbraw/zinc/02/14/81/383021481.db2.gz MRGHXKZGYQMNEC-PBHICJAKSA-N 2 0 288.435 2.847 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000423035983 383023774 /nfs/dbraw/zinc/02/37/74/383023774.db2.gz KFAKFJPMLJMUCD-MNOVXSKESA-N 2 0 290.436 2.760 20 0 CFADRP C[C@H](CCN[C@@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000423037677 383024062 /nfs/dbraw/zinc/02/40/62/383024062.db2.gz WOLLEHXIRGEIEG-OWCLPIDISA-N 2 0 267.461 2.501 20 0 CFADRP Fc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(F)c1F ZINC000423038941 383024508 /nfs/dbraw/zinc/02/45/08/383024508.db2.gz DPTYGLFECVLBTH-FOSCPWQOSA-N 2 0 284.325 2.519 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423042299 383026585 /nfs/dbraw/zinc/02/65/85/383026585.db2.gz YZHSFGMOFXUEIO-APYUEPQZSA-N 2 0 280.387 2.761 20 0 CFADRP CC1=CC[N@H+](CCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423040494 383026630 /nfs/dbraw/zinc/02/66/30/383026630.db2.gz UINOBTOZRFBDSW-MOPGFXCFSA-N 2 0 299.462 2.721 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000423042060 383026695 /nfs/dbraw/zinc/02/66/95/383026695.db2.gz YLBKSJCCLUAZJP-BBRMVZONSA-N 2 0 291.439 2.849 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338685993 383027061 /nfs/dbraw/zinc/02/70/61/383027061.db2.gz ASWMPVYUSCUDRU-BPQIPLTHSA-N 2 0 290.451 2.737 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423493275 383120223 /nfs/dbraw/zinc/12/02/23/383120223.db2.gz PVYGMVMYMNFUCS-CFVMTHIKSA-N 2 0 290.407 2.626 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423492513 383120270 /nfs/dbraw/zinc/12/02/70/383120270.db2.gz NHYQSNFVAOZGDU-ZWKOTPCHSA-N 2 0 290.451 2.612 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000423492874 383120742 /nfs/dbraw/zinc/12/07/42/383120742.db2.gz OWYGMBOURDSHNI-SRVKXCTJSA-N 2 0 266.360 2.612 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000423493401 383120763 /nfs/dbraw/zinc/12/07/63/383120763.db2.gz PWXLAGOPUFILLQ-UMNHJUIQSA-N 2 0 254.324 2.743 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423498093 383122860 /nfs/dbraw/zinc/12/28/60/383122860.db2.gz ZXTKDUWTABJZKQ-MJBXVCDLSA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000423498642 383122904 /nfs/dbraw/zinc/12/29/04/383122904.db2.gz HALXJRPREVUNTM-UXIGCNINSA-N 2 0 278.371 2.756 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000423500723 383124362 /nfs/dbraw/zinc/12/43/62/383124362.db2.gz IQSKFVOPYBHRDX-CQDKDKBSSA-N 2 0 282.815 2.745 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246975347 383127186 /nfs/dbraw/zinc/12/71/86/383127186.db2.gz JSHHLGBNMCMNLG-VWPFQQQWSA-N 2 0 276.424 2.642 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423558431 383127506 /nfs/dbraw/zinc/12/75/06/383127506.db2.gz SNUWHZPZPYEMNP-HIFUNWJGSA-N 2 0 250.430 2.789 20 0 CFADRP COC1(CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CCC1 ZINC000339037028 383127731 /nfs/dbraw/zinc/12/77/31/383127731.db2.gz CIRHJWOPEOENSG-ZDUSSCGKSA-N 2 0 263.385 2.548 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)CCC1 ZINC000339040124 383129366 /nfs/dbraw/zinc/12/93/66/383129366.db2.gz CTTQKLWZWYXCFJ-HUUCEWRRSA-N 2 0 277.412 2.725 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000246999401 383130637 /nfs/dbraw/zinc/13/06/37/383130637.db2.gz KOLKHWUEHYWMRM-ZACQAIPSSA-N 2 0 281.488 2.713 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000247022955 383133972 /nfs/dbraw/zinc/13/39/72/383133972.db2.gz NBLFXUBEUDXINF-VQFNDLOPSA-N 2 0 295.515 2.674 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066853 383138864 /nfs/dbraw/zinc/13/88/64/383138864.db2.gz IFNXKMVSXFRUSD-IRXDYDNUSA-N 2 0 288.435 2.763 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000247084149 383141417 /nfs/dbraw/zinc/14/14/17/383141417.db2.gz PBHABCHQPWUHNG-KGLIPLIRSA-N 2 0 290.407 2.798 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000423394441 383081214 /nfs/dbraw/zinc/08/12/14/383081214.db2.gz ZRHVAFZACHOUNC-DYVFJYSZSA-N 2 0 276.424 2.604 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423400181 383083419 /nfs/dbraw/zinc/08/34/19/383083419.db2.gz PZJXLOWCKJMRHK-IMJJTQAJSA-N 2 0 274.408 2.796 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C2CC2)c1 ZINC000423403564 383084256 /nfs/dbraw/zinc/08/42/56/383084256.db2.gz YODZBSOXLLMBKM-OWQGQXMQSA-N 2 0 288.435 2.746 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cc(F)ccc2F)CC[NH2+]CC1 ZINC000423407022 383085065 /nfs/dbraw/zinc/08/50/65/383085065.db2.gz LOIOUYURHBQBKS-LBPRGKRZSA-N 2 0 298.377 2.632 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423406843 383085459 /nfs/dbraw/zinc/08/54/59/383085459.db2.gz ZFQPAQODWFYGEZ-CWRNSKLLSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CN)c1ccc2ccccc2c1 ZINC000423405366 383085671 /nfs/dbraw/zinc/08/56/71/383085671.db2.gz TUNSKZPPNYHYQN-SUMWQHHRSA-N 2 0 271.408 2.557 20 0 CFADRP COCC1(C[NH2+][C@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000423409103 383086538 /nfs/dbraw/zinc/08/65/38/383086538.db2.gz PMPQTGQLHYKLPN-KRWDZBQOSA-N 2 0 290.451 2.990 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc2c1CCCN2 ZINC000423416866 383089263 /nfs/dbraw/zinc/08/92/63/383089263.db2.gz RKQSFEYMOVLPOD-ZDUSSCGKSA-N 2 0 261.413 2.652 20 0 CFADRP COC[C@]1(C[NH2+][C@H](CCC(C)C)C2CC2)CCC[NH2+]1 ZINC000423418597 383089806 /nfs/dbraw/zinc/08/98/06/383089806.db2.gz UYSSASUPQQLISJ-HZPDHXFCSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cncc(F)c1 ZINC000423423697 383090622 /nfs/dbraw/zinc/09/06/22/383090622.db2.gz MJXFBZFROQFVOC-JHJVBQTASA-N 2 0 265.376 2.636 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423785 383090669 /nfs/dbraw/zinc/09/06/69/383090669.db2.gz FFEMUROEQCOONH-FQOPFDEGSA-N 2 0 264.800 2.639 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423432088 383094159 /nfs/dbraw/zinc/09/41/59/383094159.db2.gz QPOWSIHOSIVQJB-SOUVJXGZSA-N 2 0 256.434 2.559 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC000423436995 383096065 /nfs/dbraw/zinc/09/60/65/383096065.db2.gz QFAGCBHPMOJVPT-HRCADAONSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423448370 383100005 /nfs/dbraw/zinc/10/00/05/383100005.db2.gz QDRGLSUTXTYDAM-UGQVUOCMSA-N 2 0 276.424 2.696 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000423451186 383100857 /nfs/dbraw/zinc/10/08/57/383100857.db2.gz IDFSCTSAJIKVNC-ILXRZTDVSA-N 2 0 284.444 2.606 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423455492 383101797 /nfs/dbraw/zinc/10/17/97/383101797.db2.gz CNGWUTPISSIODR-DDHJSBNISA-N 2 0 262.397 2.558 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OC ZINC000423455608 383101832 /nfs/dbraw/zinc/10/18/32/383101832.db2.gz CTHURCWTIXDUDB-FVCCEPFGSA-N 2 0 280.412 2.521 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423454208 383101872 /nfs/dbraw/zinc/10/18/72/383101872.db2.gz LJEBJRYKCMVTBN-DOMZBBRYSA-N 2 0 278.396 2.641 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1Cl ZINC000423456476 383102853 /nfs/dbraw/zinc/10/28/53/383102853.db2.gz NRNLKFFZZLFLRW-ZJUUUORDSA-N 2 0 271.792 2.522 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423458712 383102980 /nfs/dbraw/zinc/10/29/80/383102980.db2.gz HBOXPRPMQSIQLG-ZTJZGAFRSA-N 2 0 262.397 2.513 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423456853 383103168 /nfs/dbraw/zinc/10/31/68/383103168.db2.gz DUZCJNDWTXJWOF-YCPHGPKFSA-N 2 0 264.413 2.553 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccccc3)CC[C@H]21 ZINC000246790307 383103464 /nfs/dbraw/zinc/10/34/64/383103464.db2.gz ITBITZPNRHVAFO-IAGOWNOFSA-N 2 0 258.409 2.645 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)[C@H]1OC ZINC000423462334 383104523 /nfs/dbraw/zinc/10/45/23/383104523.db2.gz DORYVOWHHBJYGX-ZVDSWSACSA-N 2 0 282.472 2.933 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000423462786 383105316 /nfs/dbraw/zinc/10/53/16/383105316.db2.gz PLWQHKKVAMRJCA-OBJOEFQTSA-N 2 0 276.380 2.583 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000423462892 383105550 /nfs/dbraw/zinc/10/55/50/383105550.db2.gz UTMQJSMGKSNOHS-YUMQZZPRSA-N 2 0 292.246 2.684 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1 ZINC000423469164 383106951 /nfs/dbraw/zinc/10/69/51/383106951.db2.gz YOHYXBCJKICMKV-OLZOCXBDSA-N 2 0 250.386 2.782 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423468304 383107398 /nfs/dbraw/zinc/10/73/98/383107398.db2.gz YECBEBKHEZYITA-IIAWOOMASA-N 2 0 261.413 2.825 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000423470849 383108008 /nfs/dbraw/zinc/10/80/08/383108008.db2.gz DMTBBRKLGRLLMO-AAEUAGOBSA-N 2 0 297.830 2.926 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000423473261 383109499 /nfs/dbraw/zinc/10/94/99/383109499.db2.gz GNCNFGNJKUOZOO-GXTWGEPZSA-N 2 0 276.380 2.598 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474343 383110958 /nfs/dbraw/zinc/11/09/58/383110958.db2.gz OQXPFDCQKCAWEA-GZIXRCOHSA-N 2 0 294.414 2.532 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000246836399 383111555 /nfs/dbraw/zinc/11/15/55/383111555.db2.gz AQXSIPXQGJPRIK-LRDDRELGSA-N 2 0 282.378 2.827 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423480517 383112982 /nfs/dbraw/zinc/11/29/82/383112982.db2.gz WDWPFAQRABMZIY-HIFRSBDPSA-N 2 0 266.816 2.988 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423479501 383113022 /nfs/dbraw/zinc/11/30/22/383113022.db2.gz VMOJKSKXIBUBBO-OUAUKWLOSA-N 2 0 256.340 2.611 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423485161 383115669 /nfs/dbraw/zinc/11/56/69/383115669.db2.gz AQCHIOXSQJCJHX-BFHYXJOUSA-N 2 0 262.397 2.782 20 0 CFADRP c1csc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)c1 ZINC000423488128 383118412 /nfs/dbraw/zinc/11/84/12/383118412.db2.gz DLRWDFQGMBFVRN-GDBMZVCRSA-N 2 0 294.464 2.948 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423492008 383118912 /nfs/dbraw/zinc/11/89/12/383118912.db2.gz LDBGGEYHJFPWTF-OFQRWUPVSA-N 2 0 284.407 2.650 20 0 CFADRP C[C@H](CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449091508 383170718 /nfs/dbraw/zinc/17/07/18/383170718.db2.gz JWZVTHPXDVNZJR-AWEZNQCLSA-N 2 0 284.488 2.884 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422805779 532971980 /nfs/dbraw/zinc/97/19/80/532971980.db2.gz JNNJGBUBHGKPKI-ZWNOBZJWSA-N 2 0 268.401 2.765 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000517356042 383177916 /nfs/dbraw/zinc/17/79/16/383177916.db2.gz BLDFPCSHXZXCJL-WQVCFCJDSA-N 2 0 295.858 2.530 20 0 CFADRP C[C@](O)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000517459599 383183125 /nfs/dbraw/zinc/18/31/25/383183125.db2.gz AZCUXZMZKIHQRM-SFHVURJKSA-N 2 0 294.483 2.782 20 0 CFADRP C[N@@H+](Cc1cccc2ccoc21)C[C@@H]1CC[NH+](C)C1 ZINC000449262034 383188447 /nfs/dbraw/zinc/18/84/47/383188447.db2.gz AYFHYLVRGSCJAM-CYBMUJFWSA-N 2 0 258.365 2.816 20 0 CFADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424152905 383192356 /nfs/dbraw/zinc/19/23/56/383192356.db2.gz JGPSYTXYUBEVHD-GOEBONIOSA-N 2 0 297.487 2.521 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449271241 383192658 /nfs/dbraw/zinc/19/26/58/383192658.db2.gz SKGLQDGTZMWPIJ-CVEARBPZSA-N 2 0 290.451 2.707 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437896 383196815 /nfs/dbraw/zinc/19/68/15/383196815.db2.gz QOAVUIVBRRTROU-FGTMMUONSA-N 2 0 294.483 2.999 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339437208 383197203 /nfs/dbraw/zinc/19/72/03/383197203.db2.gz FWNLMOBGXVCKBV-MSOLQXFVSA-N 2 0 288.435 2.792 20 0 CFADRP CC(C)(CCC[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424180803 383199389 /nfs/dbraw/zinc/19/93/89/383199389.db2.gz WLKUTZSGHGNIQA-HNNXBMFYSA-N 2 0 297.487 2.698 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCCOC(C)(C)C)C2)C1 ZINC000339441499 383199809 /nfs/dbraw/zinc/19/98/09/383199809.db2.gz YOGNGCFAHVFBSC-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc2ccccc21 ZINC000449289467 383201856 /nfs/dbraw/zinc/20/18/56/383201856.db2.gz SPYBGQZWWMOMTP-CALCHBBNSA-N 2 0 296.414 2.842 20 0 CFADRP Cc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424287448 383203136 /nfs/dbraw/zinc/20/31/36/383203136.db2.gz IUBIAOAZJWVMAH-HNNXBMFYSA-N 2 0 258.409 2.959 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000518637890 383205786 /nfs/dbraw/zinc/20/57/86/383205786.db2.gz ZWUOKDQTJMEUMK-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000248009908 383206377 /nfs/dbraw/zinc/20/63/77/383206377.db2.gz LDQRCWZABSOUOI-AHCXZYCDSA-N 2 0 290.451 2.819 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC)c2)[C@@H](C)C1 ZINC000247169753 383149646 /nfs/dbraw/zinc/14/96/46/383149646.db2.gz RBDQZRVOIXCKTL-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000624217443 383152602 /nfs/dbraw/zinc/15/26/02/383152602.db2.gz SDUOZJQNPBUCBU-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP COCC1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000449066917 383158799 /nfs/dbraw/zinc/15/87/99/383158799.db2.gz GSVKAQMBAOWIHU-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C(C[NH2+][C@@H]1CCOC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000449069074 383159753 /nfs/dbraw/zinc/15/97/53/383159753.db2.gz VUBPSFFTVHCJLJ-OAHLLOKOSA-N 2 0 266.429 2.554 20 0 CFADRP Cc1cnc(CCN(C)CC[C@H]2CCCC[N@@H+]2C)s1 ZINC000339130486 383160623 /nfs/dbraw/zinc/16/06/23/383160623.db2.gz CHUBMPAGILHBPV-CQSZACIVSA-N 2 0 281.469 2.800 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449078739 383164473 /nfs/dbraw/zinc/16/44/73/383164473.db2.gz MVUWLFAZERSLHF-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449080434 383166487 /nfs/dbraw/zinc/16/64/87/383166487.db2.gz WEEHEZOGSHUFQV-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)O1 ZINC000449083183 383168267 /nfs/dbraw/zinc/16/82/67/383168267.db2.gz SFHUUSHYVGSLTD-FXUDXRNXSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)C1 ZINC000567487381 383281108 /nfs/dbraw/zinc/28/11/08/383281108.db2.gz LKDIBZCGOFATRE-LSDHHAIUSA-N 2 0 282.815 2.716 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ncc(C)s2)[C@@H](C)C1 ZINC000248528853 383253741 /nfs/dbraw/zinc/25/37/41/383253741.db2.gz WJGWOOKTXPLLMD-OBJOEFQTSA-N 2 0 281.469 2.875 20 0 CFADRP C(CC[NH2+]C[C@H]1CCSC1)CC[NH+]1CCCC1 ZINC000339497608 383217230 /nfs/dbraw/zinc/21/72/30/383217230.db2.gz IDKHUSYXJFVEGS-CQSZACIVSA-N 2 0 256.459 2.595 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000566850589 383218030 /nfs/dbraw/zinc/21/80/30/383218030.db2.gz JHFAXXCPTIPISL-MAUKXSAKSA-N 2 0 290.451 2.613 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2)[C@@H](C)C1 ZINC000248200780 383219632 /nfs/dbraw/zinc/21/96/32/383219632.db2.gz YQFSNNTXSDEFSH-RDJZCZTQSA-N 2 0 275.440 2.809 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000519535569 383222182 /nfs/dbraw/zinc/22/21/82/383222182.db2.gz GDLTVGQOFRQBAA-UHFFFAOYSA-N 2 0 278.787 2.511 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000566909008 383223987 /nfs/dbraw/zinc/22/39/87/383223987.db2.gz XHAXDDPDPRKODY-WUHRBBMRSA-N 2 0 276.371 2.515 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCSCC(C)C)C1 ZINC000339515869 383228086 /nfs/dbraw/zinc/22/80/86/383228086.db2.gz UNRSJFVQIJEJIC-UONOGXRCSA-N 2 0 258.475 2.696 20 0 CFADRP C(CC[NH2+][C@H]1CCOC2(CCC2)C1)CC[NH+]1CCCC1 ZINC000449342858 383229240 /nfs/dbraw/zinc/22/92/40/383229240.db2.gz FSUWTBKDPPUIML-INIZCTEOSA-N 2 0 280.456 2.944 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000248437080 383241851 /nfs/dbraw/zinc/24/18/51/383241851.db2.gz GUFIFTMNTDUNJN-KSSFIOAISA-N 2 0 288.435 2.531 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000248438157 383243508 /nfs/dbraw/zinc/24/35/08/383243508.db2.gz BSNPJPJQEHYYDN-LSDHHAIUSA-N 2 0 296.455 2.524 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000339818534 383328422 /nfs/dbraw/zinc/32/84/22/383328422.db2.gz CTVSIEKMBLLWBT-CVEARBPZSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732620 383333622 /nfs/dbraw/zinc/33/36/22/383333622.db2.gz KMPXEGIVQMCTLG-CYBMUJFWSA-N 2 0 278.444 2.575 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732520 383333817 /nfs/dbraw/zinc/33/38/17/383333817.db2.gz IJGFDOOXPMNYHJ-OAHLLOKOSA-N 2 0 275.440 2.620 20 0 CFADRP COc1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732622 383333886 /nfs/dbraw/zinc/33/38/86/383333886.db2.gz KNIYGETVVLHYOQ-AWEZNQCLSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634732234 383334263 /nfs/dbraw/zinc/33/42/63/383334263.db2.gz BFEMHVFSFXYOOY-LBPRGKRZSA-N 2 0 252.427 2.924 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000634732339 383334326 /nfs/dbraw/zinc/33/43/26/383334326.db2.gz DCDXFKOOTIMKFM-GFCCVEGCSA-N 2 0 279.453 2.888 20 0 CFADRP COc1ccsc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732567 383334459 /nfs/dbraw/zinc/33/44/59/383334459.db2.gz JIALKWFNHVWENK-NSHDSACASA-N 2 0 268.426 2.625 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000634732325 383334509 /nfs/dbraw/zinc/33/45/09/383334509.db2.gz CWWBOQXBHQLBJL-INIZCTEOSA-N 2 0 298.434 2.945 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000634732879 383335144 /nfs/dbraw/zinc/33/51/44/383335144.db2.gz RDPKGKLJCUKKQG-GJZGRUSLSA-N 2 0 288.435 2.921 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449427803 383288355 /nfs/dbraw/zinc/28/83/55/383288355.db2.gz PLTXTWOLMDKKCD-MVJTYMMSSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc(C3CC3)s1)CC[NH2+]CC2 ZINC000567604582 383291347 /nfs/dbraw/zinc/29/13/47/383291347.db2.gz FFWDXKDDKNWRDB-LBPRGKRZSA-N 2 0 291.464 2.985 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000248814784 383292708 /nfs/dbraw/zinc/29/27/08/383292708.db2.gz AEGNSWFEHQRUQT-KBAYOESNSA-N 2 0 288.435 2.666 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248823546 383293845 /nfs/dbraw/zinc/29/38/45/383293845.db2.gz FODFDIFOKFJCGG-LUGNKYPNSA-N 2 0 268.470 2.875 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248823550 383294026 /nfs/dbraw/zinc/29/40/26/383294026.db2.gz FODFDIFOKFJCGG-VAQLIOGMSA-N 2 0 268.470 2.875 20 0 CFADRP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000248829433 383294941 /nfs/dbraw/zinc/29/49/41/383294941.db2.gz DUQLGPHUOYAEGN-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449440517 383295376 /nfs/dbraw/zinc/29/53/76/383295376.db2.gz ZWPKPPYMNHVRCI-KBAYOESNSA-N 2 0 288.435 2.666 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459796056 383297852 /nfs/dbraw/zinc/29/78/52/383297852.db2.gz VZRWKTTWSZUOPS-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000459790106 383298299 /nfs/dbraw/zinc/29/82/99/383298299.db2.gz QUGDVXOLABEWGN-CRAIPNDOSA-N 2 0 272.436 2.865 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000459794876 383298317 /nfs/dbraw/zinc/29/83/17/383298317.db2.gz UUUIZSHNEXEGCI-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248855470 383298838 /nfs/dbraw/zinc/29/88/38/383298838.db2.gz CXAHVQFBSAYKQY-QZTJIDSGSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H](C)O ZINC000567677324 383300253 /nfs/dbraw/zinc/30/02/53/383300253.db2.gz QCIHEKCJGLXIKG-XHSDSOJGSA-N 2 0 290.451 2.920 20 0 CFADRP C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)O1 ZINC000248880106 383301336 /nfs/dbraw/zinc/30/13/36/383301336.db2.gz GELSBTOPBISYJK-OKZBNKHCSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000567681514 383301729 /nfs/dbraw/zinc/30/17/29/383301729.db2.gz ULJIQFRHUMWYQJ-DLBZAZTESA-N 2 0 282.472 2.638 20 0 CFADRP C1=CO[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248991729 383314872 /nfs/dbraw/zinc/31/48/72/383314872.db2.gz NQUQDGMSPRXMGG-BHYGNILZSA-N 2 0 276.424 2.628 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2ncccc12 ZINC000634688580 383320423 /nfs/dbraw/zinc/32/04/23/383320423.db2.gz WYIBTKLMPJRXOF-OCCSQVGLSA-N 2 0 255.365 2.546 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC000249039790 383320887 /nfs/dbraw/zinc/32/08/87/383320887.db2.gz ULNAHJFQVPQOPR-QHEDDYRISA-N 2 0 292.467 2.939 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249051706 383321932 /nfs/dbraw/zinc/32/19/32/383321932.db2.gz XPRHAPQDINCJFO-CCNLRDMRSA-N 2 0 299.462 2.652 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000567870760 383325419 /nfs/dbraw/zinc/32/54/19/383325419.db2.gz LNXLYOJRHHOHSS-PVAVHDDUSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251559775 383390008 /nfs/dbraw/zinc/39/00/08/383390008.db2.gz SAMSLYXRBIQXTA-XQQFMLRXSA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000568321012 383390779 /nfs/dbraw/zinc/39/07/79/383390779.db2.gz WNUVEMGYTVYXJL-DLBZAZTESA-N 2 0 296.499 2.981 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccncc2F)CC1 ZINC000340247559 383391907 /nfs/dbraw/zinc/39/19/07/383391907.db2.gz PMNKHVWSBAPCCY-CYBMUJFWSA-N 2 0 279.403 2.993 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477920685 383392242 /nfs/dbraw/zinc/39/22/42/383392242.db2.gz GJXHRFKSMUQQTF-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450412092 383398271 /nfs/dbraw/zinc/39/82/71/383398271.db2.gz ONXYIXWHZHAGAD-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP C(C[NH+]1CC[C@H]2CCC[C@@H]21)OCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426475675 383401384 /nfs/dbraw/zinc/40/13/84/383401384.db2.gz YYUVHLFJJFXJMH-MHORFTMASA-N 2 0 292.467 2.752 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568413112 383401484 /nfs/dbraw/zinc/40/14/84/383401484.db2.gz UYLFIZNPSXREBN-GJZGRUSLSA-N 2 0 264.438 2.909 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568413111 383401783 /nfs/dbraw/zinc/40/17/83/383401783.db2.gz UYLFIZNPSXREBN-CABCVRRESA-N 2 0 264.438 2.909 20 0 CFADRP O=C1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000450444590 383413329 /nfs/dbraw/zinc/41/33/29/383413329.db2.gz XRLZDPHRVROKQQ-MRXNPFEDSA-N 2 0 278.440 2.554 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000449739203 383362978 /nfs/dbraw/zinc/36/29/78/383362978.db2.gz JGBVSSICRNECFX-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250324108 383374755 /nfs/dbraw/zinc/37/47/55/383374755.db2.gz NPQUMMXPXCZAAX-WBMJQRKESA-N 2 0 278.827 2.739 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)C[NH+]1CCCCC1 ZINC000340191188 383375119 /nfs/dbraw/zinc/37/51/19/383375119.db2.gz IAUAUQPHXCCXAQ-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000250773951 383379937 /nfs/dbraw/zinc/37/99/37/383379937.db2.gz XLXOKGGUGJUJRS-DAXOMENPSA-N 2 0 280.362 2.975 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568247099 383381794 /nfs/dbraw/zinc/38/17/94/383381794.db2.gz BRCLAANRSTZLBA-GUTXKFCHSA-N 2 0 260.381 2.596 20 0 CFADRP CSCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250927402 383382744 /nfs/dbraw/zinc/38/27/44/383382744.db2.gz BEJRLPOTSUYAAB-MGPQQGTHSA-N 2 0 256.459 2.640 20 0 CFADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250964404 383383677 /nfs/dbraw/zinc/38/36/77/383383677.db2.gz VZALLHFSFUBBLM-BFHYXJOUSA-N 2 0 279.453 2.852 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468236 383423717 /nfs/dbraw/zinc/42/37/17/383423717.db2.gz NOFZUPNWXDFIOP-BRWVUGGUSA-N 2 0 281.488 2.664 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+][C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000340459510 383424578 /nfs/dbraw/zinc/42/45/78/383424578.db2.gz UXAGDJUMDIMJLZ-QMCVQRASSA-N 2 0 258.409 2.862 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000252673572 383425779 /nfs/dbraw/zinc/42/57/79/383425779.db2.gz KUAZAQSAAASKHH-BZSNNMDCSA-N 2 0 270.420 2.760 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000568713819 383428574 /nfs/dbraw/zinc/42/85/74/383428574.db2.gz DNAOBUWWSWFLRS-QZTJIDSGSA-N 2 0 296.499 2.981 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000568713820 383428896 /nfs/dbraw/zinc/42/88/96/383428896.db2.gz DNAOBUWWSWFLRS-ROUUACIJSA-N 2 0 296.499 2.981 20 0 CFADRP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252702789 383429053 /nfs/dbraw/zinc/42/90/53/383429053.db2.gz IQKPDHKDIPYSRZ-QJPTWQEYSA-N 2 0 264.335 2.839 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000526118363 383432294 /nfs/dbraw/zinc/43/22/94/383432294.db2.gz WVOXOLGGCJXVBL-MRXNPFEDSA-N 2 0 268.445 2.654 20 0 CFADRP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C1CC1 ZINC000340475786 383434326 /nfs/dbraw/zinc/43/43/26/383434326.db2.gz AVQOBWKTEIMKNN-INIZCTEOSA-N 2 0 290.455 2.727 20 0 CFADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000340478569 383437710 /nfs/dbraw/zinc/43/77/10/383437710.db2.gz RYJYCYGXWPBIFN-INIZCTEOSA-N 2 0 278.444 2.727 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450498932 383439326 /nfs/dbraw/zinc/43/93/26/383439326.db2.gz HRGXUTKYEDULPV-RCCFBDPRSA-N 2 0 293.499 2.665 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252978323 383441007 /nfs/dbraw/zinc/44/10/07/383441007.db2.gz BHKNMWDYNSBBDY-VBNZEHGJSA-N 2 0 262.372 2.693 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc2nccnc2c1)C1CC1 ZINC000634983264 383441701 /nfs/dbraw/zinc/44/17/01/383441701.db2.gz IWZWASCTXNKIDC-UHFFFAOYSA-N 2 0 284.407 2.594 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1C[NH3+] ZINC000253177138 383446929 /nfs/dbraw/zinc/44/69/29/383446929.db2.gz ASXCWAORHCLUKW-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000253196436 383448446 /nfs/dbraw/zinc/44/84/46/383448446.db2.gz SVHAGQIRNIJTIY-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000253192120 383448564 /nfs/dbraw/zinc/44/85/64/383448564.db2.gz MWCSSXRUTGXWGZ-DGCLKSJQSA-N 2 0 284.350 2.705 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000253290699 383450260 /nfs/dbraw/zinc/45/02/60/383450260.db2.gz QAEJOXDJOZCVLY-KZNAEPCWSA-N 3 0 293.499 2.619 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000634995959 383450611 /nfs/dbraw/zinc/45/06/11/383450611.db2.gz VAVBUYBRDRPZAK-JKSUJKDBSA-N 2 0 296.418 2.690 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)n2)cc1 ZINC000634995537 383450784 /nfs/dbraw/zinc/45/07/84/383450784.db2.gz HWBHJAVVOFDCNE-BBRMVZONSA-N 2 0 296.418 2.548 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)s1 ZINC000635004814 383460415 /nfs/dbraw/zinc/46/04/15/383460415.db2.gz GJVOUGRJDJTUBR-OIKLOGQESA-N 2 0 253.415 2.620 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000635005022 383461269 /nfs/dbraw/zinc/46/12/69/383461269.db2.gz GVKAMLPXAAOHFL-IJEWVQPXSA-N 2 0 273.424 2.706 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635005726 383461693 /nfs/dbraw/zinc/46/16/93/383461693.db2.gz JSHPBZXAXZPXSR-YCPHGPKFSA-N 2 0 273.424 2.564 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635006143 383462409 /nfs/dbraw/zinc/46/24/09/383462409.db2.gz LGHRRKYSHNJVTF-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)no1 ZINC000340535449 383463023 /nfs/dbraw/zinc/46/30/23/383463023.db2.gz NOZFMKPZKVKPJH-KFWWJZLASA-N 2 0 295.427 2.523 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c(C)n1 ZINC000635008614 383464198 /nfs/dbraw/zinc/46/41/98/383464198.db2.gz FQJCNSNVOVGMGS-GFCCVEGCSA-N 2 0 296.418 2.590 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008047 383464336 /nfs/dbraw/zinc/46/43/36/383464336.db2.gz YHFOCURMFBXYCB-BFYDXBDKSA-N 2 0 275.440 2.900 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000635008169 383464497 /nfs/dbraw/zinc/46/44/97/383464497.db2.gz QWLIWPMKVDFGAE-SQNIBIBYSA-N 2 0 290.451 2.740 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008080 383464700 /nfs/dbraw/zinc/46/47/00/383464700.db2.gz ZBIUPEJLFYNGPG-KLHDSHLOSA-N 2 0 290.455 2.553 20 0 CFADRP CCn1cc([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000635009315 383465710 /nfs/dbraw/zinc/46/57/10/383465710.db2.gz UPCARKFELGYZSJ-YOEHRIQHSA-N 2 0 286.423 2.514 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000635009747 383466034 /nfs/dbraw/zinc/46/60/34/383466034.db2.gz ZGLRAKVCCFYUQS-UMVBOHGHSA-N 2 0 292.423 2.872 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000635008893 383466266 /nfs/dbraw/zinc/46/62/66/383466266.db2.gz FMRLBNWGBZODSP-JSGCOSHPSA-N 2 0 276.428 2.522 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635011389 383466534 /nfs/dbraw/zinc/46/65/34/383466534.db2.gz NMRIKMKSGTUIJE-UKRRQHHQSA-N 2 0 261.413 2.819 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000635010301 383466977 /nfs/dbraw/zinc/46/69/77/383466977.db2.gz JKXRSBSXMUAHMD-UKRRQHHQSA-N 2 0 278.444 2.893 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1([C@H]2CCCCO2)CCC1 ZINC000635011020 383467020 /nfs/dbraw/zinc/46/70/20/383467020.db2.gz CKQPLJSWRDFNPT-VFSICIBPSA-N 2 0 278.440 2.598 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cncs1 ZINC000635011028 383467425 /nfs/dbraw/zinc/46/74/25/383467425.db2.gz LVAHQFIYNPVNSZ-QWRGUYRKSA-N 2 0 253.415 2.572 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012203 383467676 /nfs/dbraw/zinc/46/76/76/383467676.db2.gz SFPCMKZARUOTHX-JSGCOSHPSA-N 2 0 250.386 2.578 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000635011749 383468046 /nfs/dbraw/zinc/46/80/46/383468046.db2.gz GTMNVCMACLGRSE-QBPKDAKJSA-N 2 0 292.467 2.704 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1O ZINC000635012322 383468246 /nfs/dbraw/zinc/46/82/46/383468246.db2.gz SMGDDKPSGUNVNG-OCCSQVGLSA-N 2 0 292.423 2.830 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cn1 ZINC000635012559 383468501 /nfs/dbraw/zinc/46/85/01/383468501.db2.gz WCXQQAJKCWOJJB-GFCCVEGCSA-N 2 0 285.366 2.717 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012846 383469809 /nfs/dbraw/zinc/46/98/09/383469809.db2.gz WFZOBLZEIMOPBE-KBPBESRZSA-N 2 0 261.413 2.819 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635021965 383473220 /nfs/dbraw/zinc/47/32/20/383473220.db2.gz QKXWRXYLZBRAFM-CVEARBPZSA-N 2 0 269.392 2.842 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CNc3ccccc32)CC1 ZINC000635020883 383473234 /nfs/dbraw/zinc/47/32/34/383473234.db2.gz NFIDGIRXJKZIQV-CQSZACIVSA-N 2 0 273.424 2.660 20 0 CFADRP CCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000568635137 383421469 /nfs/dbraw/zinc/42/14/69/383421469.db2.gz OJPWNLFNOAOYES-ALOPSCKCSA-N 2 0 258.409 2.964 20 0 CFADRP C[C@]1(C[NH+]2CCC(OCc3ccccc3)CC2)CC[NH2+]C1 ZINC000261714534 383546836 /nfs/dbraw/zinc/54/68/36/383546836.db2.gz DZNUPEKGWIMZND-SFHVURJKSA-N 2 0 288.435 2.667 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1CCC2 ZINC000257674828 383496720 /nfs/dbraw/zinc/49/67/20/383496720.db2.gz JKAOTBDCYPWUMY-GOSISDBHSA-N 2 0 270.420 2.751 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000257738001 383497417 /nfs/dbraw/zinc/49/74/17/383497417.db2.gz YJNJEXYAMZBGNT-UHFFFAOYSA-N 2 0 250.411 2.632 20 0 CFADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(CC[C@@H]2CCCC[NH+]2C)C[C@@H](C)C1 ZINC000429018389 383503372 /nfs/dbraw/zinc/50/33/72/383503372.db2.gz GZKDSMLLHKTARK-ZJPYXAASSA-N 2 0 293.499 2.523 20 0 CFADRP Cc1nc2ccc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc2s1 ZINC000261745737 383550562 /nfs/dbraw/zinc/55/05/62/383550562.db2.gz BTCQTBUDSMTRFX-GXFFZTMASA-N 2 0 275.421 2.774 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000261558017 383511232 /nfs/dbraw/zinc/51/12/32/383511232.db2.gz SCXIWEUXQQXGJN-RNCFNFMXSA-N 2 0 256.752 2.567 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261561054 383513933 /nfs/dbraw/zinc/51/39/33/383513933.db2.gz UZPJFGZRDKBMOO-CQSZACIVSA-N 2 0 250.411 2.579 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2ccccc2F)C1 ZINC000569591268 383516930 /nfs/dbraw/zinc/51/69/30/383516930.db2.gz ZJDMGNOMXMJGEQ-KGLIPLIRSA-N 2 0 250.361 2.618 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(Cl)cc1 ZINC000261580028 383519466 /nfs/dbraw/zinc/51/94/66/383519466.db2.gz PXCGKZMEVGWCOQ-AWEZNQCLSA-N 2 0 270.804 2.682 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000261590009 383522184 /nfs/dbraw/zinc/52/21/84/383522184.db2.gz UHNLDXXIISSPET-VWYCJHECSA-N 2 0 285.229 2.705 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CCC[NH+]2CCCCC2)CCC1 ZINC000429361764 383522422 /nfs/dbraw/zinc/52/24/22/383522422.db2.gz FSCOGCJMOWUCRF-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000261594951 383524385 /nfs/dbraw/zinc/52/43/85/383524385.db2.gz XVVSIRIAJWHBNK-MFKMUULPSA-N 2 0 283.213 2.537 20 0 CFADRP OCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261596633 383524998 /nfs/dbraw/zinc/52/49/98/383524998.db2.gz LSSZMKQDPHBQIS-KZNAEPCWSA-N 2 0 288.435 2.579 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000261623497 383531034 /nfs/dbraw/zinc/53/10/34/383531034.db2.gz CKDQHZXZLYABQG-GOSISDBHSA-N 2 0 284.403 2.889 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(N)c2)C[C@H]1C ZINC000261648009 383534998 /nfs/dbraw/zinc/53/49/98/383534998.db2.gz HHCZPJYYNGQKKA-CZUORRHYSA-N 2 0 261.413 2.573 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C2CC2)c1 ZINC000261651561 383536634 /nfs/dbraw/zinc/53/66/34/383536634.db2.gz YHCUUAKXZJCEMV-IAGOWNOFSA-N 2 0 256.393 2.605 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CS1 ZINC000488429173 383536630 /nfs/dbraw/zinc/53/66/30/383536630.db2.gz BWKMTVZXIBTQQB-BARDWOONSA-N 2 0 270.486 2.979 20 0 CFADRP Cc1nc2ccc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000261745746 383552050 /nfs/dbraw/zinc/55/20/50/383552050.db2.gz BTCQTBUDSMTRFX-ZWNOBZJWSA-N 2 0 275.421 2.774 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000488442877 383540193 /nfs/dbraw/zinc/54/01/93/383540193.db2.gz UTGKKEZPHSIGKG-KBAYOESNSA-N 2 0 272.436 2.797 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)CC1 ZINC000429544770 383541803 /nfs/dbraw/zinc/54/18/03/383541803.db2.gz ACZULQPNJJQSDM-OAHLLOKOSA-N 2 0 270.461 2.998 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488454814 383544794 /nfs/dbraw/zinc/54/47/94/383544794.db2.gz JKAWZHKZSALHHA-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@]1(C[NH+]2CCC(c3ccccc3)CC2)CC[NH2+]C1 ZINC000261869339 383572384 /nfs/dbraw/zinc/57/23/84/383572384.db2.gz OLIIWXMZJQJRIL-QGZVFWFLSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000422939341 532993377 /nfs/dbraw/zinc/99/33/77/532993377.db2.gz RCLMSMVPCPYNTA-CJNGLKHVSA-N 2 0 258.409 2.725 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261868865 383572777 /nfs/dbraw/zinc/57/27/77/383572777.db2.gz YRWMBQWZKADSKW-QWHCGFSZSA-N 2 0 284.325 2.747 20 0 CFADRP [NH3+]CC[C@H]1CCCN(Cc2ncc(C(F)(F)F)s2)C1 ZINC000261949759 383584125 /nfs/dbraw/zinc/58/41/25/383584125.db2.gz NUCATRDZKBLWHB-SECBINFHSA-N 2 0 293.358 2.723 20 0 CFADRP CCc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)s1 ZINC000570248029 383586437 /nfs/dbraw/zinc/58/64/37/383586437.db2.gz HPRVUSUPNQRMKB-UHFFFAOYSA-N 2 0 297.512 2.626 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3scnc3C3CC3)C[C@@H]21 ZINC000261965512 383587376 /nfs/dbraw/zinc/58/73/76/383587376.db2.gz PUZOXTCVINNUDS-FRRDWIJNSA-N 2 0 277.437 2.580 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261966938 383588971 /nfs/dbraw/zinc/58/89/71/383588971.db2.gz PZACCXFADFLWGA-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cccc2c(NC[C@H](C)C[NH+](C)C)c(C)c[nH+]c12 ZINC000489004252 383590727 /nfs/dbraw/zinc/59/07/27/383590727.db2.gz AVDSTLWYSYNZPX-LBPRGKRZSA-N 2 0 271.408 2.883 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000430924584 383611994 /nfs/dbraw/zinc/61/19/94/383611994.db2.gz JLFOGCVARIGMMY-GJZGRUSLSA-N 2 0 292.423 2.523 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000262005208 383593797 /nfs/dbraw/zinc/59/37/97/383593797.db2.gz UNPWWJXSIUUKIJ-HNNXBMFYSA-N 2 0 278.465 2.981 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000262009286 383593889 /nfs/dbraw/zinc/59/38/89/383593889.db2.gz UVSMNVZQIUNUNN-ZBFHGGJFSA-N 2 0 278.465 2.979 20 0 CFADRP c1sc(CN2CC[C@@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000262017738 383594394 /nfs/dbraw/zinc/59/43/94/383594394.db2.gz MXKCEMBJQZRSQN-QGZVFWFLSA-N 2 0 299.443 2.996 20 0 CFADRP Cc1nc2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc2s1 ZINC000262013882 383594585 /nfs/dbraw/zinc/59/45/85/383594585.db2.gz VKGDXPAGFOQDGY-ZWNOBZJWSA-N 2 0 275.421 2.774 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262013837 383594816 /nfs/dbraw/zinc/59/48/16/383594816.db2.gz VJWKERAZFAHGHS-LXZKKBNFSA-N 2 0 276.399 2.947 20 0 CFADRP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262014921 383594954 /nfs/dbraw/zinc/59/49/54/383594954.db2.gz MPLHWQVEAFWNJE-PNBKFKSVSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262038250 383598790 /nfs/dbraw/zinc/59/87/90/383598790.db2.gz OWFAPFXCXCDUTL-QGZVFWFLSA-N 2 0 258.409 2.661 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000262048818 383599625 /nfs/dbraw/zinc/59/96/25/383599625.db2.gz ZJKQAPUUJSFWJN-OAHLLOKOSA-N 2 0 298.434 2.740 20 0 CFADRP CCn1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC000262060629 383601391 /nfs/dbraw/zinc/60/13/91/383601391.db2.gz DVRQNQZGZYTYIL-CWRNSKLLSA-N 2 0 298.434 2.615 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262093967 383604006 /nfs/dbraw/zinc/60/40/06/383604006.db2.gz VAWRIZJCGRLDRW-IAGOWNOFSA-N 2 0 258.409 2.650 20 0 CFADRP COc1ccc(Cl)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000262094936 383604311 /nfs/dbraw/zinc/60/43/11/383604311.db2.gz HTJVGEINPJWXJQ-UHFFFAOYSA-N 2 0 268.788 2.519 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000262118972 383607466 /nfs/dbraw/zinc/60/74/66/383607466.db2.gz LQWQTWOKCUGFNA-HZUKXOBISA-N 2 0 294.826 2.908 20 0 CFADRP C[C@H]1C[C@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488528280 383555173 /nfs/dbraw/zinc/55/51/73/383555173.db2.gz APKYMDWSWLLXJO-HOCLYGCPSA-N 2 0 273.424 2.886 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261770143 383556871 /nfs/dbraw/zinc/55/68/71/383556871.db2.gz DOJSRDFTXRFWGF-BPQIPLTHSA-N 2 0 272.436 2.939 20 0 CFADRP COc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)c2ccccc12 ZINC000261785208 383559710 /nfs/dbraw/zinc/55/97/10/383559710.db2.gz PWZXAVDPLPHBHS-LRDDRELGSA-N 2 0 270.376 2.770 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000261787859 383561225 /nfs/dbraw/zinc/56/12/25/383561225.db2.gz FZHIHHMJIYNERS-TYNCELHUSA-N 2 0 250.361 2.598 20 0 CFADRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1C ZINC000261801990 383563397 /nfs/dbraw/zinc/56/33/97/383563397.db2.gz GZOLCBGLHDUJLA-CYBMUJFWSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1ccc(CN2CCC[C@H](C[NH2+]C)C2)cc1F ZINC000261809271 383564587 /nfs/dbraw/zinc/56/45/87/383564587.db2.gz HNMKIXBXQDYRCS-CQSZACIVSA-N 2 0 280.387 2.656 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC(C)(C)C1)C2 ZINC000528517155 383566174 /nfs/dbraw/zinc/56/61/74/383566174.db2.gz MYCLRAHAKSFRHG-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261827634 383567517 /nfs/dbraw/zinc/56/75/17/383567517.db2.gz UMXNIOUNSQJUOB-KGLIPLIRSA-N 2 0 270.376 2.783 20 0 CFADRP CC(C)Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000488733856 383570381 /nfs/dbraw/zinc/57/03/81/383570381.db2.gz KHUSNVBNCYHTAQ-HDICACEKSA-N 2 0 272.436 2.879 20 0 CFADRP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261863535 383571467 /nfs/dbraw/zinc/57/14/67/383571467.db2.gz YDGDDTYALNPKFP-DOTOQJQBSA-N 2 0 266.388 2.881 20 0 CFADRP Brc1ccsc1CNCCC[NH+]1CCC1 ZINC000570985925 383652683 /nfs/dbraw/zinc/65/26/83/383652683.db2.gz UGVVXDPJSYDHOC-UHFFFAOYSA-N 2 0 289.242 2.696 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263174478 383655749 /nfs/dbraw/zinc/65/57/49/383655749.db2.gz GATBUHKALPYSLK-NVXWUHKLSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430933801 383613386 /nfs/dbraw/zinc/61/33/86/383613386.db2.gz JVUDRFYNDNORNY-ZDUSSCGKSA-N 2 0 252.789 2.553 20 0 CFADRP CC(C)c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000430949104 383615322 /nfs/dbraw/zinc/61/53/22/383615322.db2.gz BJGVYIIHEMRGDW-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP COCC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000262315416 383616043 /nfs/dbraw/zinc/61/60/43/383616043.db2.gz ZRFCDFXVPVNTQM-HNNXBMFYSA-N 2 0 276.424 2.696 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccccc2)CC1 ZINC000570579146 383616108 /nfs/dbraw/zinc/61/61/08/383616108.db2.gz CESODMCNUWYPQY-ZWKOTPCHSA-N 2 0 290.451 2.569 20 0 CFADRP Fc1ccc(OCCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431024564 383623657 /nfs/dbraw/zinc/62/36/57/383623657.db2.gz POZHTOFTOAMOJW-UHFFFAOYSA-N 2 0 292.398 2.670 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000570673776 383624582 /nfs/dbraw/zinc/62/45/82/383624582.db2.gz VKIQWFKSHUUTKQ-INIZCTEOSA-N 2 0 262.397 2.747 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087826 383629392 /nfs/dbraw/zinc/62/93/92/383629392.db2.gz CBZALGHTKDOPOP-NEPJUHHUSA-N 2 0 294.443 2.958 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C1(C)C ZINC000451501505 383629482 /nfs/dbraw/zinc/62/94/82/383629482.db2.gz PDFLEIPIJVVRNC-QLFBSQMISA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000432985493 383751647 /nfs/dbraw/zinc/75/16/47/383751647.db2.gz NMUBXNBHFGUQCT-DAWZGUTISA-N 2 0 293.499 2.571 20 0 CFADRP C(C[C@H]1CCOC1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000645807142 383754200 /nfs/dbraw/zinc/75/42/00/383754200.db2.gz BYORBSLIVANXCU-IRXDYDNUSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[NH+]1CCCC1 ZINC000453102002 383765716 /nfs/dbraw/zinc/76/57/16/383765716.db2.gz YZNJJWDIMXKEPL-MRXNPFEDSA-N 2 0 275.440 2.868 20 0 CFADRP CCOC1CC(CC[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000530492444 383771517 /nfs/dbraw/zinc/77/15/17/383771517.db2.gz BFNPYPJMMZNUDF-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@H](C)C1 ZINC000645860904 383773186 /nfs/dbraw/zinc/77/31/86/383773186.db2.gz OWZOCKJCEQRMNJ-NVXWUHKLSA-N 2 0 280.456 2.823 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)Cc1cnccn1)C(C)C ZINC000453121239 383774037 /nfs/dbraw/zinc/77/40/37/383774037.db2.gz OEMUQHPQUSTDCR-OAHLLOKOSA-N 2 0 278.444 2.506 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000530623504 383778303 /nfs/dbraw/zinc/77/83/03/383778303.db2.gz VYWSJDIPUVDMKQ-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000572374142 383778403 /nfs/dbraw/zinc/77/84/03/383778403.db2.gz BMFKHWVZRASAPW-MGPQQGTHSA-N 2 0 286.423 2.614 20 0 CFADRP CSc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423093735 533005339 /nfs/dbraw/zinc/00/53/39/533005339.db2.gz AFWKKEOBQGFJBI-WDEREUQCSA-N 2 0 250.411 2.667 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCCCn2cccn2)CC1 ZINC000640018280 383674520 /nfs/dbraw/zinc/67/45/20/383674520.db2.gz SNNUDZCRNPPASQ-UHFFFAOYSA-N 2 0 292.471 2.860 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000645949208 383803265 /nfs/dbraw/zinc/80/32/65/383803265.db2.gz UJUPLEUMADHJDZ-IRXDYDNUSA-N 2 0 280.456 2.753 20 0 CFADRP CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436310523 383804186 /nfs/dbraw/zinc/80/41/86/383804186.db2.gz RLPWADHOAJYQSZ-SFHVURJKSA-N 2 0 293.499 2.857 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000453213749 383804383 /nfs/dbraw/zinc/80/43/83/383804383.db2.gz AWOSTQQKHPWOAB-QGZVFWFLSA-N 2 0 292.471 2.763 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436405458 383812375 /nfs/dbraw/zinc/81/23/75/383812375.db2.gz AJTKQCSINWFZJS-UHFFFAOYSA-N 2 0 273.355 2.659 20 0 CFADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533080 383819307 /nfs/dbraw/zinc/81/93/07/383819307.db2.gz BXUNGKIWQVYDAQ-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@@H](C[N@H+](C)CCCC[NH+]1CCCCC1)OC ZINC000640534571 383819894 /nfs/dbraw/zinc/81/98/94/383819894.db2.gz PVJSJFOPQATKGV-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000640534090 383820177 /nfs/dbraw/zinc/82/01/77/383820177.db2.gz LICYGDBSHPRLDJ-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CCC[NH2+]C)C1(CC)CC ZINC000435885321 383781328 /nfs/dbraw/zinc/78/13/28/383781328.db2.gz IORSVRWFNJVKLF-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH2+]CCCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000435870361 383781577 /nfs/dbraw/zinc/78/15/77/383781577.db2.gz FIYCKGSLXPNPRQ-SWLSCSKDSA-N 2 0 250.361 2.818 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cs1 ZINC000453139588 383782058 /nfs/dbraw/zinc/78/20/58/383782058.db2.gz RTERDDCOPFWYKM-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436230295 383789878 /nfs/dbraw/zinc/78/98/78/383789878.db2.gz HMJQBZVVWWHRMR-UHFFFAOYSA-N 2 0 275.371 2.738 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000436267117 383795030 /nfs/dbraw/zinc/79/50/30/383795030.db2.gz BVCLYFSEZVRREF-OAHLLOKOSA-N 2 0 291.439 2.834 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000436286150 383800575 /nfs/dbraw/zinc/80/05/75/383800575.db2.gz RJBZLWQVMCMCEY-HIFRSBDPSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296876 383801572 /nfs/dbraw/zinc/80/15/72/383801572.db2.gz VUJZTLIBAZESDY-PVAVHDDUSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H]2CCC[C@@H]21 ZINC000453292216 383839917 /nfs/dbraw/zinc/83/99/17/383839917.db2.gz OSVXPTLKRPCBMZ-JYJNAYRXSA-N 2 0 287.451 2.822 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]([NH3+])c1ccccc1 ZINC000572969866 383849375 /nfs/dbraw/zinc/84/93/75/383849375.db2.gz CXJPLYKMBMEZIK-HYVNUMGLSA-N 2 0 275.440 2.587 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453385715 383849882 /nfs/dbraw/zinc/84/98/82/383849882.db2.gz DHVIXARNYIXORS-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C1CC1 ZINC000453392388 383850320 /nfs/dbraw/zinc/85/03/20/383850320.db2.gz FDERTRLDBXIDCH-DGCLKSJQSA-N 2 0 294.361 2.560 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000414519483 533016087 /nfs/dbraw/zinc/01/60/87/533016087.db2.gz BFWFPCLLMORVQB-CQSZACIVSA-N 2 0 289.423 2.598 20 0 CFADRP Cc1ccn2c(C[NH2+]CCCC[N@@H+](C)C3CC3)cnc2c1 ZINC000453590073 383863041 /nfs/dbraw/zinc/86/30/41/383863041.db2.gz AFQRGDAYXRVSJC-UHFFFAOYSA-N 2 0 286.423 2.607 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453598173 383867446 /nfs/dbraw/zinc/86/74/46/383867446.db2.gz PGUMXYHJUSCVSV-UHFFFAOYSA-N 2 0 275.440 2.787 20 0 CFADRP COc1cc(C)c(C[NH2+]CCCC[N@H+](C)C2CC2)c(C)n1 ZINC000453596536 383868258 /nfs/dbraw/zinc/86/82/58/383868258.db2.gz LRRMPHPJPRALQZ-UHFFFAOYSA-N 2 0 291.439 2.671 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1C=CCCCCC1)CCO2 ZINC000646106780 383874189 /nfs/dbraw/zinc/87/41/89/383874189.db2.gz SCUHJBYPQBVQMP-MRXNPFEDSA-N 2 0 278.440 2.672 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346906 412971354 /nfs/dbraw/zinc/97/13/54/412971354.db2.gz AUYLSFPORJJJLG-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422844605 533020158 /nfs/dbraw/zinc/02/01/58/533020158.db2.gz MIODWPUETXOVAT-FZMZJTMJSA-N 2 0 298.427 2.706 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423105264 533022339 /nfs/dbraw/zinc/02/23/39/533022339.db2.gz YUOIVHDNIZODDG-PVAVHDDUSA-N 2 0 294.414 2.805 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCCCCC1)C1CCOCC1 ZINC000532198601 383989350 /nfs/dbraw/zinc/98/93/50/383989350.db2.gz DEQHRJUMYYEFKR-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000532212243 383992380 /nfs/dbraw/zinc/99/23/80/383992380.db2.gz PZJJQGRRPZYEDA-IAGOWNOFSA-N 2 0 282.472 2.782 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000438081626 383943514 /nfs/dbraw/zinc/94/35/14/383943514.db2.gz SFOKZYADYYUZLQ-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP CCC(CC)[C@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000438081631 383943943 /nfs/dbraw/zinc/94/39/43/383943943.db2.gz SFOKZYADYYUZLQ-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531962867 383948828 /nfs/dbraw/zinc/94/88/28/383948828.db2.gz ARWLZHJUBOHEDY-STQMWFEESA-N 2 0 289.423 2.562 20 0 CFADRP CN(C)C1(C[NH2+]C(C2CC2)C2CC2)Cc2ccccc2C1 ZINC000531979933 383950629 /nfs/dbraw/zinc/95/06/29/383950629.db2.gz SNMMSXHUXBTUFI-UHFFFAOYSA-N 2 0 284.447 2.864 20 0 CFADRP CC[C@H]([NH2+]CCCNc1ccccn1)C1CCOCC1 ZINC000531977540 383951738 /nfs/dbraw/zinc/95/17/38/383951738.db2.gz CGSCERQKZARLLW-HNNXBMFYSA-N 2 0 277.412 2.678 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000438175154 383963254 /nfs/dbraw/zinc/96/32/54/383963254.db2.gz HTTHVYKUMKBJIC-ULQDDVLXSA-N 2 0 282.472 2.903 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000573998447 384025560 /nfs/dbraw/zinc/02/55/60/384025560.db2.gz WPXCWJAZNISGSK-WBVHZDCISA-N 2 0 278.440 2.594 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000574010310 384027560 /nfs/dbraw/zinc/02/75/60/384027560.db2.gz UQFUCCCMOSZLCC-MTSZKFMLSA-N 2 0 282.472 2.900 20 0 CFADRP COC1([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000414519480 533027016 /nfs/dbraw/zinc/02/70/16/533027016.db2.gz BFWFPCLLMORVQB-AWEZNQCLSA-N 2 0 289.423 2.598 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])ccc1C(F)(F)F ZINC000574205056 384060617 /nfs/dbraw/zinc/06/06/17/384060617.db2.gz RMALOLRHSPRDCU-UHFFFAOYSA-N 2 0 260.303 2.794 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000574200085 384061352 /nfs/dbraw/zinc/06/13/52/384061352.db2.gz JRFLIRZOHIOLQT-IAGOWNOFSA-N 2 0 273.424 2.745 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)n1 ZINC000574307888 384077783 /nfs/dbraw/zinc/07/77/83/384077783.db2.gz CBQLGHBBMPZXQX-CVSAEHQPSA-N 2 0 292.427 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2sccc2C)[C@@H](C)C1 ZINC000266144831 384093423 /nfs/dbraw/zinc/09/34/23/384093423.db2.gz VLBQIERJGZVRPR-STQMWFEESA-N 2 0 252.427 2.876 20 0 CFADRP [NH3+][C@H]1CCC[C@H](NCc2coc(-c3cccs3)n2)C1 ZINC000574652039 384129414 /nfs/dbraw/zinc/12/94/14/384129414.db2.gz USLLXKALAOBYPZ-QWRGUYRKSA-N 2 0 277.393 2.763 20 0 CFADRP COC[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423153605 533036788 /nfs/dbraw/zinc/03/67/88/533036788.db2.gz NKTYZEGIGKDLDR-JSGCOSHPSA-N 2 0 284.831 2.787 20 0 CFADRP CC[N@H+](Cc1c(C)nc2ccccn21)[C@@H]1CCC[NH2+]CC1 ZINC000435616338 285092128 /nfs/dbraw/zinc/09/21/28/285092128.db2.gz SAFSXMWXLBSDOM-OAHLLOKOSA-N 2 0 286.423 2.607 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000637808580 384198461 /nfs/dbraw/zinc/19/84/61/384198461.db2.gz KABIXGMPEIYBNX-UHFFFAOYSA-N 2 0 291.439 2.713 20 0 CFADRP CC(C)(C)c1ccnc(NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000641615288 384241122 /nfs/dbraw/zinc/24/11/22/384241122.db2.gz LCEJTGGREKTOAG-HNNXBMFYSA-N 2 0 291.439 2.638 20 0 CFADRP CC(=O)Nc1cccc(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277254924 384244163 /nfs/dbraw/zinc/24/41/63/384244163.db2.gz QNVHJOILSUGCPE-KRWDZBQOSA-N 2 0 289.423 2.561 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(Cc2cc(F)ccc2F)CC1 ZINC000277254705 384244577 /nfs/dbraw/zinc/24/45/77/384244577.db2.gz QLLOCKWIIKUJFE-CQSZACIVSA-N 2 0 268.351 2.881 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637904684 384264475 /nfs/dbraw/zinc/26/44/75/384264475.db2.gz FWWHKHCZBPAOTN-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641708376 384279910 /nfs/dbraw/zinc/27/99/10/384279910.db2.gz YVDAUBKBWDNQEA-QZTJIDSGSA-N 2 0 295.515 2.963 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641716594 384288191 /nfs/dbraw/zinc/28/81/91/384288191.db2.gz NBNJWZDLAZRXHY-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000637999843 384343118 /nfs/dbraw/zinc/34/31/18/384343118.db2.gz PCHFOJFMICZZOZ-UKRRQHHQSA-N 2 0 256.434 2.510 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000641800854 384367185 /nfs/dbraw/zinc/36/71/85/384367185.db2.gz HHFZMLQDSGOCAL-OLZOCXBDSA-N 2 0 286.778 2.573 20 0 CFADRP COc1cccc(SCC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000641801954 384371381 /nfs/dbraw/zinc/37/13/81/384371381.db2.gz WJTOXYIEPCFEPE-ZIAGYGMSSA-N 2 0 280.437 2.503 20 0 CFADRP CSc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000641761989 384328502 /nfs/dbraw/zinc/32/85/02/384328502.db2.gz AQYOEJFSHCTCOT-UHFFFAOYSA-N 2 0 268.426 2.964 20 0 CFADRP Cn1c(CN2CC[C@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000638075154 384394101 /nfs/dbraw/zinc/39/41/01/384394101.db2.gz CGQOJQJDQSPDKB-CQSZACIVSA-N 2 0 271.408 2.562 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccn1 ZINC000267451740 384394360 /nfs/dbraw/zinc/39/43/60/384394360.db2.gz RQLLPEHFHNYKOT-LBPRGKRZSA-N 2 0 276.771 2.838 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638077911 384396346 /nfs/dbraw/zinc/39/63/46/384396346.db2.gz YGQVJMNNGCASHV-AWEZNQCLSA-N 2 0 269.392 2.618 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277855718 384424188 /nfs/dbraw/zinc/42/41/88/384424188.db2.gz MVGPZZJUPWELPM-HNNXBMFYSA-N 2 0 294.414 2.725 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nccnc3c2)[C@H](C)C1 ZINC000638113811 384425506 /nfs/dbraw/zinc/42/55/06/384425506.db2.gz DSYHBWJPNQXIAG-RDTXWAMCSA-N 2 0 298.434 2.792 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCSCC2)[C@H](C)C1 ZINC000638115702 384427929 /nfs/dbraw/zinc/42/79/29/384427929.db2.gz VJYFHIAVCQRMRX-HIFRSBDPSA-N 2 0 270.486 2.792 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCSCC2)[C@@H](C)C1 ZINC000638115704 384428723 /nfs/dbraw/zinc/42/87/23/384428723.db2.gz VJYFHIAVCQRMRX-ZFWWWQNUSA-N 2 0 270.486 2.792 20 0 CFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643031023 384479497 /nfs/dbraw/zinc/47/94/97/384479497.db2.gz FXRCFMKCEXQUET-XHDPSFHLSA-N 2 0 271.339 2.562 20 0 CFADRP CCc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc2[nH+]1 ZINC000643031772 384480646 /nfs/dbraw/zinc/48/06/46/384480646.db2.gz XXJNKXLSVXTXLY-DYVFJYSZSA-N 2 0 281.403 2.985 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643057809 384488333 /nfs/dbraw/zinc/48/83/33/384488333.db2.gz AKQOLPSVKMNUOR-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000278296755 384521782 /nfs/dbraw/zinc/52/17/82/384521782.db2.gz CDJNGQFILJVVCJ-AWEZNQCLSA-N 2 0 292.398 2.798 20 0 CFADRP Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)nc(C2CC2)n1 ZINC000268150683 384546029 /nfs/dbraw/zinc/54/60/29/384546029.db2.gz MPEKKFMUKQEXFZ-QMTHXVAHSA-N 2 0 272.396 2.557 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000278404357 384560013 /nfs/dbraw/zinc/56/00/13/384560013.db2.gz ODEAKPUXNSOFEG-OAHLLOKOSA-N 2 0 264.438 2.591 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638339651 384569682 /nfs/dbraw/zinc/56/96/82/384569682.db2.gz HFAKPKSFPOOAMW-GOEBONIOSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[C@@H](C[NH2+]CCC1CCOCC1)[NH+]1CCCC1 ZINC000638354303 384577232 /nfs/dbraw/zinc/57/72/32/384577232.db2.gz ZKTAGJCCAWDWTO-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)(C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1 ZINC000638359083 384580744 /nfs/dbraw/zinc/58/07/44/384580744.db2.gz MGADQRDHHJKFSS-OAHLLOKOSA-N 2 0 288.435 2.918 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638359312 384583216 /nfs/dbraw/zinc/58/32/16/384583216.db2.gz JKGUSOKGBGSTND-QZTJIDSGSA-N 2 0 290.451 2.738 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000638360614 384585403 /nfs/dbraw/zinc/58/54/03/384585403.db2.gz XIEQCZAPYZGAPW-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNCc2c(C)cccc2OC)C1 ZINC000638410092 384632476 /nfs/dbraw/zinc/63/24/76/384632476.db2.gz WCKMWGUPLCQUGQ-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638381054 384608257 /nfs/dbraw/zinc/60/82/57/384608257.db2.gz IGMZLRUOCINVEU-OAHLLOKOSA-N 2 0 276.424 2.775 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000638381065 384608845 /nfs/dbraw/zinc/60/88/45/384608845.db2.gz IJQWJIDJMXYNQY-HOTGVXAUSA-N 2 0 272.436 2.723 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C)OC ZINC000643357091 384609208 /nfs/dbraw/zinc/60/92/08/384609208.db2.gz GAKIPLRVCQSKJH-CQSZACIVSA-N 2 0 264.413 2.605 20 0 CFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000638366250 384591349 /nfs/dbraw/zinc/59/13/49/384591349.db2.gz LZLDLQMSTTZNMM-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000638367747 384592435 /nfs/dbraw/zinc/59/24/35/384592435.db2.gz XVVWUKLXECYKGV-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@](C)(C[NH2+]CCCC[NH+]1CCC(C)CC1)OC ZINC000638371086 384596337 /nfs/dbraw/zinc/59/63/37/384596337.db2.gz OUHWYNKRKYSNPV-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCC[C@H]2CCO2)C1 ZINC000638371429 384597921 /nfs/dbraw/zinc/59/79/21/384597921.db2.gz RQJBMUKVWXYGJA-XHSDSOJGSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)C1CC[NH+](C)CC1 ZINC000643349297 384602377 /nfs/dbraw/zinc/60/23/77/384602377.db2.gz OEMHIHMXDGSIIU-ZFWWWQNUSA-N 2 0 282.497 2.840 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000643500756 384665714 /nfs/dbraw/zinc/66/57/14/384665714.db2.gz ZTJCOWPZIWNSFO-CHWSQXEVSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000638412236 384634670 /nfs/dbraw/zinc/63/46/70/384634670.db2.gz NMTUDPVUBIYTFH-HNNXBMFYSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000643451823 384635111 /nfs/dbraw/zinc/63/51/11/384635111.db2.gz FAXRQGOLAAVLHE-LZLYRXPVSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453239 384635465 /nfs/dbraw/zinc/63/54/65/384635465.db2.gz RKQWQUKBRSWGLQ-XQQFMLRXSA-N 2 0 297.393 2.507 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453526 384635634 /nfs/dbraw/zinc/63/56/34/384635634.db2.gz JUMDUUYKSOKRTB-WFASDCNBSA-N 2 0 281.403 2.839 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000643457273 384638080 /nfs/dbraw/zinc/63/80/80/384638080.db2.gz PUAUKWCTFKJDRW-WBVHZDCISA-N 2 0 286.423 2.732 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])nc21 ZINC000643458881 384639950 /nfs/dbraw/zinc/63/99/50/384639950.db2.gz SGSLSIFPAOBBOS-ZIAGYGMSSA-N 2 0 287.407 2.786 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457582 384640748 /nfs/dbraw/zinc/64/07/48/384640748.db2.gz OPYHAJYEWVDIID-UONOGXRCSA-N 2 0 277.799 2.833 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638423076 384642769 /nfs/dbraw/zinc/64/27/69/384642769.db2.gz NNXIVDVSJWDWDB-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCC(=O)N2 ZINC000643463418 384644331 /nfs/dbraw/zinc/64/43/31/384644331.db2.gz JZBAHNCYZRCJQM-AEZOWIDVSA-N 2 0 299.418 2.505 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000643464511 384644969 /nfs/dbraw/zinc/64/49/69/384644969.db2.gz LSQTXAMABGEWGH-NVXWUHKLSA-N 2 0 275.440 2.833 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)OC ZINC000638427208 384645257 /nfs/dbraw/zinc/64/52/57/384645257.db2.gz UTNLMXJMWYPHSB-BBRMVZONSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CC1(F)F ZINC000638425977 384645848 /nfs/dbraw/zinc/64/58/48/384645848.db2.gz PRVYDSINGDTANJ-GWCFXTLKSA-N 2 0 258.356 2.637 20 0 CFADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCCCO1 ZINC000643466617 384646845 /nfs/dbraw/zinc/64/68/45/384646845.db2.gz IKXDNJSZPLBIAY-YMAMQOFZSA-N 2 0 268.445 2.689 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CC(C)C ZINC000638428266 384647474 /nfs/dbraw/zinc/64/74/74/384647474.db2.gz ZJXIVSRWUFCYJB-INIZCTEOSA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](CC(C)C)OC)CC1 ZINC000638428985 384647647 /nfs/dbraw/zinc/64/76/47/384647647.db2.gz GENNUVUTEMCAPV-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000643467427 384648424 /nfs/dbraw/zinc/64/84/24/384648424.db2.gz CAPWKFKXMAHDFY-HOCLYGCPSA-N 2 0 261.413 2.901 20 0 CFADRP CCC1(O)CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000643474169 384652793 /nfs/dbraw/zinc/65/27/93/384652793.db2.gz LLZSSPYCIPIQAM-FQXVJMBOSA-N 2 0 290.451 2.618 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000643475964 384654356 /nfs/dbraw/zinc/65/43/56/384654356.db2.gz ZAZWZMHPLOAKBL-PRLABOORSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643475710 384654912 /nfs/dbraw/zinc/65/49/12/384654912.db2.gz BYZLYOIVAMQJGD-QDIHITRGSA-N 2 0 268.445 2.972 20 0 CFADRP c1ccc2c(c1)CC[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000643477952 384654999 /nfs/dbraw/zinc/65/49/99/384654999.db2.gz GVTWYLDUSARPFC-DTWYCDNDSA-N 2 0 270.420 2.664 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000643541938 384722941 /nfs/dbraw/zinc/72/29/41/384722941.db2.gz VHLZUACSGQOKDB-GXFFZTMASA-N 2 0 267.442 2.943 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCO2 ZINC000643546002 384724374 /nfs/dbraw/zinc/72/43/74/384724374.db2.gz GYPRSKQXRSHOHE-OCCSQVGLSA-N 2 0 288.391 2.741 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545193 384725548 /nfs/dbraw/zinc/72/55/48/384725548.db2.gz LRRFVZHCJDYOHC-OLZOCXBDSA-N 2 0 252.427 2.801 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000643509184 384680574 /nfs/dbraw/zinc/68/05/74/384680574.db2.gz DCGMERCILYQWOD-ZUZCIYMTSA-N 2 0 266.335 2.541 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643522708 384688818 /nfs/dbraw/zinc/68/88/18/384688818.db2.gz SEDXRCUZGHFOPX-IWCQGFGOSA-N 2 0 258.409 2.910 20 0 CFADRP c1cncc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000643522520 384689265 /nfs/dbraw/zinc/68/92/65/384689265.db2.gz OKRGBTNSVPIBPY-HOTGVXAUSA-N 2 0 259.397 2.655 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000643523137 384691021 /nfs/dbraw/zinc/69/10/21/384691021.db2.gz YEKKWGWXYSEGQF-HOCLYGCPSA-N 2 0 298.434 2.880 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000643523058 384691830 /nfs/dbraw/zinc/69/18/30/384691830.db2.gz VXLCLXVXCMEJMI-UKRRQHHQSA-N 2 0 276.428 2.791 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000643528271 384699169 /nfs/dbraw/zinc/69/91/69/384699169.db2.gz GGSRDGYERZWNHP-GARJFASQSA-N 2 0 263.410 2.725 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000643529889 384703177 /nfs/dbraw/zinc/70/31/77/384703177.db2.gz UKTDNNGVWPYGFJ-CORIIIEPSA-N 2 0 266.816 2.988 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000643530897 384703562 /nfs/dbraw/zinc/70/35/62/384703562.db2.gz RBFOWXGKIUFHFO-AWEZNQCLSA-N 2 0 296.480 2.675 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534506 384705666 /nfs/dbraw/zinc/70/56/66/384705666.db2.gz WGTULRPGDJTRTI-CZUORRHYSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)COC2 ZINC000643533657 384706153 /nfs/dbraw/zinc/70/61/53/384706153.db2.gz AOAFKZIBNXPOFU-BLLLJJGKSA-N 2 0 272.392 2.510 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534812 384707207 /nfs/dbraw/zinc/70/72/07/384707207.db2.gz DDGJLSYKVYOTHP-SOUVJXGZSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534644 384707236 /nfs/dbraw/zinc/70/72/36/384707236.db2.gz ZFJONARFIWXSBQ-HOTGVXAUSA-N 2 0 256.393 2.714 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534699 384707242 /nfs/dbraw/zinc/70/72/42/384707242.db2.gz AHDCUFOCGTXIAC-RRFJBIMHSA-N 2 0 280.456 2.558 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534541 384707750 /nfs/dbraw/zinc/70/77/50/384707750.db2.gz XJAYGHGSYCRHPN-XHDPSFHLSA-N 2 0 278.371 2.627 20 0 CFADRP C1[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C12CC[NH2+]CC2 ZINC000643535637 384709108 /nfs/dbraw/zinc/70/91/08/384709108.db2.gz HELDBFDVIFXZGY-BDVYOWHSSA-N 2 0 292.467 2.989 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643535080 384709249 /nfs/dbraw/zinc/70/92/49/384709249.db2.gz IQOQOVGHAPOXDE-ZYHUDNBSSA-N 2 0 279.453 2.807 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535168 384709346 /nfs/dbraw/zinc/70/93/46/384709346.db2.gz JVTQDOAABCPHMT-QWHCGFSZSA-N 2 0 277.437 2.561 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535432 384709713 /nfs/dbraw/zinc/70/97/13/384709713.db2.gz MGHWZDLJJAVLTI-CPUCHLNUSA-N 2 0 288.435 2.919 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000643535698 384709985 /nfs/dbraw/zinc/70/99/85/384709985.db2.gz HTFLQOBBVRLHIX-CJNGLKHVSA-N 2 0 274.408 2.796 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536709 384711169 /nfs/dbraw/zinc/71/11/69/384711169.db2.gz VZIDQMNTWRNKER-LSDHHAIUSA-N 2 0 259.397 2.655 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1N(C)C ZINC000643536180 384711286 /nfs/dbraw/zinc/71/12/86/384711286.db2.gz SESGVIOEPWMWTK-BBRMVZONSA-N 2 0 273.424 2.545 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1N(C)C ZINC000643536027 384711769 /nfs/dbraw/zinc/71/17/69/384711769.db2.gz QMERFMZCCQDQAS-MLGOLLRUSA-N 2 0 291.414 2.684 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536614 384711946 /nfs/dbraw/zinc/71/19/46/384711946.db2.gz SODZHTHOQABVDS-QGZVFWFLSA-N 2 0 270.420 2.666 20 0 CFADRP CCC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536706 384711971 /nfs/dbraw/zinc/71/19/71/384711971.db2.gz VZIDQMNTWRNKER-CABCVRRESA-N 2 0 259.397 2.655 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC34CC[NH2+]CC4)C2)c1 ZINC000643536891 384713646 /nfs/dbraw/zinc/71/36/46/384713646.db2.gz XXGWMJPGWWEWMS-HYVNUMGLSA-N 2 0 285.435 2.840 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536990 384714087 /nfs/dbraw/zinc/71/40/87/384714087.db2.gz ZUHLQJBLVCPBJP-GDBMZVCRSA-N 2 0 273.424 2.525 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541835 384721747 /nfs/dbraw/zinc/72/17/47/384721747.db2.gz GDIWXZKFBVLLHD-STQMWFEESA-N 2 0 252.427 2.801 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541833 384722143 /nfs/dbraw/zinc/72/21/43/384722143.db2.gz GDIWXZKFBVLLHD-OLZOCXBDSA-N 2 0 252.427 2.801 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C1CC(n2cccn2)C1)C(C)(C)C ZINC000638604675 384777605 /nfs/dbraw/zinc/77/76/05/384777605.db2.gz LNGJANVDUGRIBK-YMAMQOFZSA-N 2 0 278.444 2.543 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000638564885 384743880 /nfs/dbraw/zinc/74/38/80/384743880.db2.gz KGAZSWYZHWEGOH-WCQYABFASA-N 2 0 260.372 2.742 20 0 CFADRP CO[C@H](C[NH2+]CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000638566400 384746087 /nfs/dbraw/zinc/74/60/87/384746087.db2.gz HRRNVROVURTZOT-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638565930 384746237 /nfs/dbraw/zinc/74/62/37/384746237.db2.gz WEEGETBCCKVWBQ-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000643808174 384767617 /nfs/dbraw/zinc/76/76/17/384767617.db2.gz UZJGECYQRGOGCE-MUJYYYPQSA-N 2 0 274.408 2.515 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638692610 384837872 /nfs/dbraw/zinc/83/78/72/384837872.db2.gz JTEPYZYIFZIXLZ-YPMHNXCESA-N 2 0 260.372 2.742 20 0 CFADRP CCC[C@@H](C[NH2+]CCC1CC[NH+](CC)CC1)OC ZINC000638693266 384840251 /nfs/dbraw/zinc/84/02/51/384840251.db2.gz QWIVIECXALOJHU-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)[C@H]1CC1(F)F ZINC000638700754 384847859 /nfs/dbraw/zinc/84/78/59/384847859.db2.gz KTBJADGYNZGWIQ-JVGWCMFKSA-N 2 0 258.356 2.635 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787841 384918615 /nfs/dbraw/zinc/91/86/15/384918615.db2.gz LPLBDGQYDCVTKF-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP c1cncc([C@H]([NH2+]CCC[NH+]2CCCC2)C2CCC2)c1 ZINC000280247143 384944435 /nfs/dbraw/zinc/94/44/35/384944435.db2.gz IPYZLEKVWWGGDS-QGZVFWFLSA-N 2 0 273.424 2.998 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000337457390 285145520 /nfs/dbraw/zinc/14/55/20/285145520.db2.gz JMSGYBYCXQFXEA-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)CC(C)C ZINC000638852001 384986940 /nfs/dbraw/zinc/98/69/40/384986940.db2.gz SLBIFJBIIQCMIT-QGZVFWFLSA-N 2 0 278.440 2.899 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CC1(F)F ZINC000638851395 384987320 /nfs/dbraw/zinc/98/73/20/384987320.db2.gz JWYVZKZINKFMBS-SMDDNHRTSA-N 2 0 268.351 2.882 20 0 CFADRP Cn1c(CCC[NH2+]CCC[C@H]2CCO2)nc2ccccc21 ZINC000638870379 385003698 /nfs/dbraw/zinc/00/36/98/385003698.db2.gz CVPPASUTFPGAPJ-AWEZNQCLSA-N 2 0 287.407 2.665 20 0 CFADRP Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(F)c1 ZINC000638917728 385031074 /nfs/dbraw/zinc/03/10/74/385031074.db2.gz HRPSFCQOOIPNQZ-XJKSGUPXSA-N 2 0 262.372 2.660 20 0 CFADRP CCOC1CC(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)C1 ZINC000639038105 385110048 /nfs/dbraw/zinc/11/00/48/385110048.db2.gz OTDVBZNKBVCKKU-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@](C)(C[NH2+]CC[C@H](C)[NH+]1CCCCC1)OC ZINC000639039045 385111860 /nfs/dbraw/zinc/11/18/60/385111860.db2.gz ZFGVNYMNKCZLJS-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270485506 385120013 /nfs/dbraw/zinc/12/00/13/385120013.db2.gz OPTRWCOYKZIGQU-QGZVFWFLSA-N 2 0 288.435 2.859 20 0 CFADRP CCC[C@H](C[NH2+]CC1(C[NH+](C)C)CCCC1)OC ZINC000639046222 385121728 /nfs/dbraw/zinc/12/17/28/385121728.db2.gz KAVPXDVTPAPFQX-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000270395634 385086968 /nfs/dbraw/zinc/08/69/68/385086968.db2.gz UDWKYPLCULTJCN-INIZCTEOSA-N 2 0 291.439 2.581 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CC2CCSCC2)CC1 ZINC000639106145 385197626 /nfs/dbraw/zinc/19/76/26/385197626.db2.gz WBBUKDSEIGOWHT-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)[C@H]1CC1(F)F ZINC000639107550 385200467 /nfs/dbraw/zinc/20/04/67/385200467.db2.gz SBFHOYLXGCWYCZ-CYZMBNFOSA-N 2 0 258.356 2.637 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423330959 533107784 /nfs/dbraw/zinc/10/77/84/533107784.db2.gz NZVAHXWXVBKEEQ-CJNGLKHVSA-N 2 0 262.397 2.736 20 0 CFADRP C([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000639109087 385204339 /nfs/dbraw/zinc/20/43/39/385204339.db2.gz POHKYSGNLNGBCY-OWCLPIDISA-N 2 0 262.441 2.887 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000639166055 385270124 /nfs/dbraw/zinc/27/01/24/385270124.db2.gz XAUZOSZPUIZABL-UHFFFAOYSA-N 2 0 294.483 2.780 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000282291317 385273638 /nfs/dbraw/zinc/27/36/38/385273638.db2.gz BZKPTJOOACQERD-KZNAEPCWSA-N 2 0 288.435 2.553 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000639169997 385274830 /nfs/dbraw/zinc/27/48/30/385274830.db2.gz NKNNSTXMPZVNCH-HNNXBMFYSA-N 2 0 285.435 2.998 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@](C)(CC)OC ZINC000639174572 385280991 /nfs/dbraw/zinc/28/09/91/385280991.db2.gz CHTGXZTXKLBSOP-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)CCC1CCOCC1 ZINC000639175374 385282080 /nfs/dbraw/zinc/28/20/80/385282080.db2.gz KXLLTNGQXPJWFO-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176649 385284477 /nfs/dbraw/zinc/28/44/77/385284477.db2.gz IRIVJVFNYYVKDE-XIRDDKMYSA-N 2 0 282.472 2.711 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282532937 385335921 /nfs/dbraw/zinc/33/59/21/385335921.db2.gz QPKGZNYEYOKGJZ-RDJZCZTQSA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639222753 385348664 /nfs/dbraw/zinc/34/86/64/385348664.db2.gz NPBFLOWUTAGIFC-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1F ZINC000423255342 533116901 /nfs/dbraw/zinc/11/69/01/533116901.db2.gz BSNLQXZWLDBFFT-OLZOCXBDSA-N 2 0 280.387 2.875 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCN1C(C)(C)C)OC ZINC000639303486 385430559 /nfs/dbraw/zinc/43/05/59/385430559.db2.gz RDLYKAYZTLOUHE-IHRRRGAJSA-N 2 0 256.434 2.510 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000283111377 385437071 /nfs/dbraw/zinc/43/70/71/385437071.db2.gz MOXDUTZJPBDCDH-DLBZAZTESA-N 2 0 276.424 2.790 20 0 CFADRP Cc1n[nH]cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212333 385475718 /nfs/dbraw/zinc/47/57/18/385475718.db2.gz QGXNNHBKORBYLG-YOEHRIQHSA-N 2 0 298.434 2.718 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)C1CCCC1 ZINC000639353710 385476358 /nfs/dbraw/zinc/47/63/58/385476358.db2.gz YZYOFGZKRMLESF-IRXDYDNUSA-N 2 0 280.456 2.798 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCC2CCOCC2)CC1 ZINC000639379036 385496969 /nfs/dbraw/zinc/49/69/69/385496969.db2.gz LKTVNFJLNJEDDZ-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000639390388 385510494 /nfs/dbraw/zinc/51/04/94/385510494.db2.gz CDZFEVUNGHDMQX-CHWSQXEVSA-N 2 0 285.313 2.591 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272422773 385533516 /nfs/dbraw/zinc/53/35/16/385533516.db2.gz GTTMRAUAIWYYBE-DOTOQJQBSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H]([NH2+]CCCCCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604422 385574047 /nfs/dbraw/zinc/57/40/47/385574047.db2.gz YYGUPLGUHQJSBZ-WMZOPIPTSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272610855 385575523 /nfs/dbraw/zinc/57/55/23/385575523.db2.gz ZWPKPPYMNHVRCI-SZMVWBNQSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000639489188 385557969 /nfs/dbraw/zinc/55/79/69/385557969.db2.gz PBUGWYQCVZKEKF-VSZNYVQBSA-N 2 0 294.483 2.998 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286195345 385569961 /nfs/dbraw/zinc/56/99/61/385569961.db2.gz RKKZGIHUDCTMFW-FUHWJXTLSA-N 2 0 289.467 2.672 20 0 CFADRP CC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639553592 385580768 /nfs/dbraw/zinc/58/07/68/385580768.db2.gz OUBGVMOHIXSSRK-UHFFFAOYSA-N 2 0 286.419 2.564 20 0 CFADRP Cc1nccn1CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286310144 385586258 /nfs/dbraw/zinc/58/62/58/385586258.db2.gz XBVMPKXFQKPJDI-OAHLLOKOSA-N 2 0 287.411 2.826 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272678542 385586879 /nfs/dbraw/zinc/58/68/79/385586879.db2.gz RNOFFINTFZBMSV-SOLBZPMBSA-N 2 0 290.451 2.912 20 0 CFADRP COc1ccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422784421 533133238 /nfs/dbraw/zinc/13/32/38/533133238.db2.gz MAZTVOWQBZNESG-LRDDRELGSA-N 2 0 262.397 2.590 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2)CC[C@@H]1[NH3+] ZINC000122392140 413005650 /nfs/dbraw/zinc/00/56/50/413005650.db2.gz ILOUTSGZVSXBPJ-CABCVRRESA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000122689103 413007384 /nfs/dbraw/zinc/00/73/84/413007384.db2.gz PDRURWCFRISDJL-YOEHRIQHSA-N 2 0 292.423 2.523 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCc3noc4ccccc43)C2)CC1 ZINC000639756137 385697503 /nfs/dbraw/zinc/69/75/03/385697503.db2.gz QPKSKMXLLYZQNX-UHFFFAOYSA-N 2 0 299.418 2.788 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2cc(C)cc(C)c2)CC[C@@H]1[NH3+] ZINC000122707551 413008900 /nfs/dbraw/zinc/00/89/00/413008900.db2.gz LVWQUXVSNZLGDH-RDJZCZTQSA-N 2 0 276.424 2.741 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000414700770 533144792 /nfs/dbraw/zinc/14/47/92/533144792.db2.gz VMGMDSOSJIGAKK-HLLBOEOZSA-N 2 0 288.435 2.873 20 0 CFADRP COC1(CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000639984118 385805029 /nfs/dbraw/zinc/80/50/29/385805029.db2.gz PNVNICBCPDSHEX-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP CC(C)C[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288562018 197112765 /nfs/dbraw/zinc/11/27/65/197112765.db2.gz MJNTZKWVGGAMLV-HNNXBMFYSA-N 2 0 293.455 2.936 20 0 CFADRP CCC[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000276932126 386083150 /nfs/dbraw/zinc/08/31/50/386083150.db2.gz OLDOMJPHOPSIEG-LSDHHAIUSA-N 2 0 282.453 2.636 20 0 CFADRP C[N@H+](CCC[NH3+])CCOc1c(Cl)cccc1Cl ZINC000123292593 413011410 /nfs/dbraw/zinc/01/14/10/413011410.db2.gz BSXOPFAESUJESP-UHFFFAOYSA-N 2 0 277.195 2.653 20 0 CFADRP C[C@]1(C[NH2+]CCC[NH+]2CCCCC2)CCCS1 ZINC000124307934 413013320 /nfs/dbraw/zinc/01/33/20/413013320.db2.gz FYGYFEMDCGEJDL-CQSZACIVSA-N 2 0 256.459 2.738 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1O ZINC000414197448 533167433 /nfs/dbraw/zinc/16/74/33/533167433.db2.gz VTRMJKOPCQFYTQ-KBPBESRZSA-N 2 0 292.423 2.783 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000423241170 533175750 /nfs/dbraw/zinc/17/57/50/533175750.db2.gz UQULQPIUASXDRO-IPYPFGDCSA-N 2 0 292.423 2.537 20 0 CFADRP OC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000487491552 285236090 /nfs/dbraw/zinc/23/60/90/285236090.db2.gz LSJUPMOAZPJCEI-KRWDZBQOSA-N 2 0 294.483 2.880 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000414180076 285236614 /nfs/dbraw/zinc/23/66/14/285236614.db2.gz LJLIYBZNTOPQJJ-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP OC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000363538327 285239169 /nfs/dbraw/zinc/23/91/69/285239169.db2.gz QWKIFIZUZVMOSC-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOC1CCCC1 ZINC000093516525 184686658 /nfs/dbraw/zinc/68/66/58/184686658.db2.gz ZCPXCFBATOATQD-HUUCEWRRSA-N 2 0 268.445 2.846 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC12CCCC2 ZINC000189119460 285290443 /nfs/dbraw/zinc/29/04/43/285290443.db2.gz AEDQGBWHSSEXNN-CVEARBPZSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000390646750 262233976 /nfs/dbraw/zinc/23/39/76/262233976.db2.gz IQMUXSLUBXKQIH-FDYHWXHSSA-N 2 0 260.372 2.740 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(CC)(CC)CC)C2)CC1 ZINC000360679903 285334342 /nfs/dbraw/zinc/33/43/42/285334342.db2.gz ITDZHAUAUBRZBT-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000228533501 262340776 /nfs/dbraw/zinc/34/07/76/262340776.db2.gz DISOTCFJPPCERY-NILFDRSVSA-N 2 0 264.438 2.870 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200412 542570945 /nfs/dbraw/zinc/57/09/45/542570945.db2.gz ZSMOTNAVGBREBF-MRXNPFEDSA-N 2 0 289.467 2.672 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108165 781992563 /nfs/dbraw/zinc/99/25/63/781992563.db2.gz MWDLVXKYDJPXRA-MRXNPFEDSA-N 2 0 257.381 2.615 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000020200349 542575567 /nfs/dbraw/zinc/57/55/67/542575567.db2.gz KDOVSLUFFARDAL-KRWDZBQOSA-N 2 0 289.467 2.753 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000359428777 285371516 /nfs/dbraw/zinc/37/15/16/285371516.db2.gz HSZHHRRHTUOREV-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000423023576 285374009 /nfs/dbraw/zinc/37/40/09/285374009.db2.gz KBJUSUGAZMJPGU-QRTARXTBSA-N 2 0 276.424 2.654 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCC[NH3+])CCS2 ZINC000423469216 533292000 /nfs/dbraw/zinc/29/20/00/533292000.db2.gz YQUSAGNHTVRPFG-RISCZKNCSA-N 2 0 280.437 2.949 20 0 CFADRP C[C@@H]([NH2+]CCCSc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422757448 533388644 /nfs/dbraw/zinc/38/86/44/533388644.db2.gz MUMWHPFSEMOMJR-HIFRSBDPSA-N 2 0 264.438 2.899 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422949153 533366363 /nfs/dbraw/zinc/36/63/63/533366363.db2.gz UFISVFYZPMLZBS-CHWSQXEVSA-N 2 0 264.413 2.688 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000422857910 533366498 /nfs/dbraw/zinc/36/64/98/533366498.db2.gz HOGPOFVZQLWLNF-CYBMUJFWSA-N 2 0 294.439 2.698 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C2CC2)c1 ZINC000423175758 533383000 /nfs/dbraw/zinc/38/30/00/533383000.db2.gz BCBXZDDQWLZYSP-OAHLLOKOSA-N 2 0 287.451 2.510 20 0 CFADRP COc1ccc2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000414841237 533330285 /nfs/dbraw/zinc/33/02/85/533330285.db2.gz ZBHVGXMOZNWDDF-HNNXBMFYSA-N 2 0 284.403 2.938 20 0 CFADRP COc1ccc2cc(C[NH2+][C@@H](C)CC[NH3+])ccc2c1 ZINC000414873836 533331357 /nfs/dbraw/zinc/33/13/57/533331357.db2.gz AAKPWVQZVKTEOL-LBPRGKRZSA-N 2 0 258.365 2.675 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000414861964 533452188 /nfs/dbraw/zinc/45/21/88/533452188.db2.gz XBHASABKTSSMBU-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423244967 533403610 /nfs/dbraw/zinc/40/36/10/533403610.db2.gz IEGRBEPYVQTUFA-VXGBXAGGSA-N 2 0 279.453 2.672 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)c(Br)c1 ZINC000423298279 533408668 /nfs/dbraw/zinc/40/86/68/533408668.db2.gz NXDQMNRERXXRPN-DTWKUNHWSA-N 2 0 289.192 2.834 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423485164 533416699 /nfs/dbraw/zinc/41/66/99/533416699.db2.gz AQCHIOXSQJCJHX-MELADBBJSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422839323 533420396 /nfs/dbraw/zinc/42/03/96/533420396.db2.gz ZVXQOYDWPMLBDV-RYRKJORJSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422906122 533428904 /nfs/dbraw/zinc/42/89/04/533428904.db2.gz JEPZWDVKQGJKGH-JZXOWHBKSA-N 2 0 289.467 2.627 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCC[C@@H]3[NH3+])CCCC2)c1 ZINC000422891240 533436393 /nfs/dbraw/zinc/43/63/93/533436393.db2.gz UXLRUDVHWHDRQM-IRXDYDNUSA-N 2 0 288.435 2.976 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000423120477 533436584 /nfs/dbraw/zinc/43/65/84/533436584.db2.gz GVTYHCKJSKXXIL-RHSMWYFYSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000422775149 533521488 /nfs/dbraw/zinc/52/14/88/533521488.db2.gz AIOTUOXQMFZREU-TZMCWYRMSA-N 2 0 293.842 2.506 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)CCCC[NH3+])c(Cl)c1 ZINC000422888489 533500282 /nfs/dbraw/zinc/50/02/82/533500282.db2.gz NAOFCVBPBUIDQG-GFCCVEGCSA-N 2 0 284.831 2.998 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414825323 533506154 /nfs/dbraw/zinc/50/61/54/533506154.db2.gz HFAJNFCPOIUPQY-KTFSGNIMSA-N 2 0 288.435 2.889 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414917714 533508896 /nfs/dbraw/zinc/50/88/96/533508896.db2.gz QXUPKZPSUFBUBV-ZBFHGGJFSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414891642 533580209 /nfs/dbraw/zinc/58/02/09/533580209.db2.gz VWKHPTAPZRKDQW-JTQLQIEISA-N 2 0 278.787 2.557 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414877837 533580244 /nfs/dbraw/zinc/58/02/44/533580244.db2.gz GMUMKKHAQKKJMV-NSHDSACASA-N 2 0 262.328 2.913 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1cccc(F)c1 ZINC000422902432 533537953 /nfs/dbraw/zinc/53/79/53/533537953.db2.gz DDOAASMKNVIYGT-ZDUSSCGKSA-N 2 0 252.377 2.865 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422868017 533541012 /nfs/dbraw/zinc/54/10/12/533541012.db2.gz UHNLXJSEBRYUMX-QWHCGFSZSA-N 2 0 297.393 2.651 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795706 533554380 /nfs/dbraw/zinc/55/43/80/533554380.db2.gz WGESHWSIXRPRDI-INIZCTEOSA-N 3 0 289.467 2.890 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422944974 533554413 /nfs/dbraw/zinc/55/44/13/533554413.db2.gz MKWHQIMNPMQHNX-NSHDSACASA-N 2 0 272.339 2.548 20 0 CFADRP c1cc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)cc2c1C[NH2+]C2 ZINC000423397528 285441908 /nfs/dbraw/zinc/44/19/08/285441908.db2.gz TUMQUTZXYHVPFT-SJORKVTESA-N 2 0 256.393 2.958 20 0 CFADRP CCn1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000682778890 542591377 /nfs/dbraw/zinc/59/13/77/542591377.db2.gz SBTVSBSMVFOHOT-INIZCTEOSA-N 2 0 263.429 2.814 20 0 CFADRP CCc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342082353 130243392 /nfs/dbraw/zinc/24/33/92/130243392.db2.gz IHMMZMNZTKLGPC-RCCFBDPRSA-N 2 0 272.436 2.851 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342099526 130260497 /nfs/dbraw/zinc/26/04/97/130260497.db2.gz JTIVUKWZMCCLBU-BBWFWOEESA-N 2 0 288.435 2.823 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191643457 130269536 /nfs/dbraw/zinc/26/95/36/130269536.db2.gz HLXOCVGKINBGEO-RRFJBIMHSA-N 2 0 294.439 2.701 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191657502 130272971 /nfs/dbraw/zinc/27/29/71/130272971.db2.gz IKTUTRZTKIAEJO-ZNMIVQPWSA-N 2 0 294.439 2.701 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCOC[C@H]1C ZINC000683018334 542628768 /nfs/dbraw/zinc/62/87/68/542628768.db2.gz QVFVAKAIOHIQDL-OAHLLOKOSA-N 2 0 285.391 2.792 20 0 CFADRP Cc1[nH+]ccc(NCC(C)(C)C[NH+]2CCCC2)c1Cl ZINC000355678298 130333775 /nfs/dbraw/zinc/33/37/75/130333775.db2.gz ZNWWKTSDGMKHSY-UHFFFAOYSA-N 2 0 281.831 2.999 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)o1 ZINC000020439433 542632943 /nfs/dbraw/zinc/63/29/43/542632943.db2.gz XBLSCFFBIWTNML-AWEZNQCLSA-N 2 0 293.455 2.573 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000342153607 130344864 /nfs/dbraw/zinc/34/48/64/130344864.db2.gz ZNTMFCGNMQRUEV-DOMZBBRYSA-N 2 0 292.423 2.585 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000366764181 130354623 /nfs/dbraw/zinc/35/46/23/130354623.db2.gz UTZPTTDAXJBOCX-GJZGRUSLSA-N 2 0 292.471 2.624 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccsc2)C[C@H](C)O1 ZINC000237669258 131051598 /nfs/dbraw/zinc/05/15/98/131051598.db2.gz IXCZBTRVZHBWHD-OKILXGFUSA-N 2 0 282.453 2.727 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000249371098 131120797 /nfs/dbraw/zinc/12/07/97/131120797.db2.gz BEDKIEAJRUWOFF-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000249379303 131120856 /nfs/dbraw/zinc/12/08/56/131120856.db2.gz OMNHRMYDFXMJDZ-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000249381867 131121764 /nfs/dbraw/zinc/12/17/64/131121764.db2.gz RVQKJPQCOSMUQM-CHWSQXEVSA-N 2 0 280.387 2.827 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC000249383558 131121931 /nfs/dbraw/zinc/12/19/31/131121931.db2.gz VYIORWXQRWPHKA-KGLIPLIRSA-N 2 0 274.408 2.614 20 0 CFADRP CCc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250259140 131124570 /nfs/dbraw/zinc/12/45/70/131124570.db2.gz ASZQJVPAIQONKI-IRXDYDNUSA-N 2 0 258.409 2.965 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250405277 131125605 /nfs/dbraw/zinc/12/56/05/131125605.db2.gz SUPIZUPWVGTIHY-ROUUACIJSA-N 2 0 288.435 2.940 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000252439507 131134395 /nfs/dbraw/zinc/13/43/95/131134395.db2.gz PNCFRVOFOIQNCM-HUUCEWRRSA-N 2 0 276.424 2.558 20 0 CFADRP Fc1ccc(F)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673741 131136062 /nfs/dbraw/zinc/13/60/62/131136062.db2.gz LSFPXJGQHUKXLH-KBPBESRZSA-N 2 0 266.335 2.681 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000268769224 132062880 /nfs/dbraw/zinc/06/28/80/132062880.db2.gz RXIUMTOEMMXHBL-CWRNSKLLSA-N 2 0 295.496 2.671 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000414836956 285508053 /nfs/dbraw/zinc/50/80/53/285508053.db2.gz JWBMIKBQNBYKBP-YOEHRIQHSA-N 2 0 258.409 2.523 20 0 CFADRP COCCCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783971 132065787 /nfs/dbraw/zinc/06/57/87/132065787.db2.gz RDNRHSXBPDHIHL-HNNXBMFYSA-N 2 0 294.439 2.704 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848748 132076874 /nfs/dbraw/zinc/07/68/74/132076874.db2.gz GUAMJPDJGODBCK-LZLYRXPVSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CCC1 ZINC000268913462 132087511 /nfs/dbraw/zinc/08/75/11/132087511.db2.gz UNUHVCMVRRAHCQ-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)[C@@H](C)C1 ZINC000268998112 132098151 /nfs/dbraw/zinc/09/81/51/132098151.db2.gz OHWDPJXJCUTZCE-SZMVWBNQSA-N 2 0 290.451 2.820 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683927845 542745278 /nfs/dbraw/zinc/74/52/78/542745278.db2.gz OIUWPPUSKPKSAS-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000373241741 393464421 /nfs/dbraw/zinc/46/44/21/393464421.db2.gz XWLXOJHBQQNXFU-ZCMCUDBQSA-N 2 0 294.483 2.946 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccn1 ZINC000179467173 393466556 /nfs/dbraw/zinc/46/65/56/393466556.db2.gz BTDYBEXNZFTJKN-OAGGEKHMSA-N 2 0 291.439 2.622 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000300415882 393467352 /nfs/dbraw/zinc/46/73/52/393467352.db2.gz YSTOOHSDNMEWAS-KFWWJZLASA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@H]3O)CC2)C1 ZINC000305125946 393500413 /nfs/dbraw/zinc/50/04/13/393500413.db2.gz LDPHHHRJJALKSA-LAVFITLUSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000314157123 393525592 /nfs/dbraw/zinc/52/55/92/393525592.db2.gz JJQYBECFIUGWSN-IRXDYDNUSA-N 2 0 288.435 2.614 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000037786509 393535694 /nfs/dbraw/zinc/53/56/94/393535694.db2.gz KOEUSSJLELITDB-IIAWOOMASA-N 2 0 281.488 2.568 20 0 CFADRP CCC(CC)C[N@H+](CC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402171 393560850 /nfs/dbraw/zinc/56/08/50/393560850.db2.gz RWJRZOHWDFODFX-UHFFFAOYSA-N 2 0 268.405 2.522 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000380896763 393558897 /nfs/dbraw/zinc/55/88/97/393558897.db2.gz LXURXQXEAMXTMA-AIEDFZFUSA-N 2 0 268.470 2.781 20 0 CFADRP CO[C@H](C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000380906312 393559177 /nfs/dbraw/zinc/55/91/77/393559177.db2.gz OEMFIRBFRUHDHO-JKSUJKDBSA-N 2 0 264.413 2.679 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000222051941 413066280 /nfs/dbraw/zinc/06/62/80/413066280.db2.gz FOXGBBPSWSBJGZ-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000684370502 542794746 /nfs/dbraw/zinc/79/47/46/542794746.db2.gz WMCPOBBEZUISQU-LUKYLMHMSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000684395477 542799998 /nfs/dbraw/zinc/79/99/98/542799998.db2.gz CPSPXXLFNLUJRN-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000684395480 542800303 /nfs/dbraw/zinc/80/03/03/542800303.db2.gz CPSPXXLFNLUJRN-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCCC1 ZINC000394544770 393595974 /nfs/dbraw/zinc/59/59/74/393595974.db2.gz WWOOOIFVVIDPEA-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCCC1 ZINC000394544772 393596185 /nfs/dbraw/zinc/59/61/85/393596185.db2.gz WWOOOIFVVIDPEA-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@H](C[NH2+]CCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400159672 393599735 /nfs/dbraw/zinc/59/97/35/393599735.db2.gz FZNNBTYOICZRFD-QGZVFWFLSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401000745 393602626 /nfs/dbraw/zinc/60/26/26/393602626.db2.gz MMVQODFHDITLDZ-ZOBORPQBSA-N 2 0 264.438 2.657 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403364747 393612954 /nfs/dbraw/zinc/61/29/54/393612954.db2.gz NIGKFRACGDBLKN-OWCLPIDISA-N 2 0 250.430 2.744 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403377925 393612983 /nfs/dbraw/zinc/61/29/83/393612983.db2.gz PPXPWWPVJUIVKZ-KFWWJZLASA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)[C@@H]1CC[NH3+] ZINC000404328016 393617269 /nfs/dbraw/zinc/61/72/69/393617269.db2.gz NUDLSIDRQRECHK-FRRDWIJNSA-N 2 0 260.372 2.871 20 0 CFADRP CC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC[NH2+]CC1 ZINC000335023299 393635705 /nfs/dbraw/zinc/63/57/05/393635705.db2.gz KFNRQICVFLRVFW-OAHLLOKOSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684556907 542825638 /nfs/dbraw/zinc/82/56/38/542825638.db2.gz PFWUOKHIMNSFGD-AEFFLSMTSA-N 2 0 290.451 2.649 20 0 CFADRP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1C ZINC000194233965 393683876 /nfs/dbraw/zinc/68/38/76/393683876.db2.gz XUHNUHGNTATBGL-AWEZNQCLSA-N 2 0 276.424 2.825 20 0 CFADRP C=Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000194011307 393671939 /nfs/dbraw/zinc/67/19/39/393671939.db2.gz BVAUJNAQHLRNOT-UHFFFAOYSA-N 2 0 276.428 2.537 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2F)[C@H](C)C1 ZINC000081096049 393731263 /nfs/dbraw/zinc/73/12/63/393731263.db2.gz ZIIYHEXERVAPLS-GDBMZVCRSA-N 2 0 294.414 2.867 20 0 CFADRP CC(C)C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684565098 542827187 /nfs/dbraw/zinc/82/71/87/542827187.db2.gz CTNQLJSHUSJBQO-UHFFFAOYSA-N 2 0 285.391 2.718 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000221349176 393762109 /nfs/dbraw/zinc/76/21/09/393762109.db2.gz RAHCTMFJNVENQV-GUYCJALGSA-N 2 0 274.408 2.614 20 0 CFADRP CC[C@@H](CO)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411774953 393746929 /nfs/dbraw/zinc/74/69/29/393746929.db2.gz QDFMFONQCROTFI-SFHVURJKSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@@]1(O)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411337872 393701104 /nfs/dbraw/zinc/70/11/04/393701104.db2.gz VZNVSERLQZZXTL-GOSISDBHSA-N 2 0 288.435 2.629 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336319885 393728893 /nfs/dbraw/zinc/72/88/93/393728893.db2.gz VBQVYLPBUIBIQP-QGZVFWFLSA-N 2 0 256.393 2.834 20 0 CFADRP C[C@@H]1C[C@H](Nc2cc[nH+]c3c(O)cccc23)CC[N@@H+]1C ZINC000684575402 542829861 /nfs/dbraw/zinc/82/98/61/542829861.db2.gz HITOLKICVGZHNX-VXGBXAGGSA-N 2 0 271.364 2.835 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)oc1C ZINC000337514808 393767814 /nfs/dbraw/zinc/76/78/14/393767814.db2.gz LBMWATYYBOTQPE-GDBMZVCRSA-N 2 0 294.439 2.784 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000090457480 393777708 /nfs/dbraw/zinc/77/77/08/393777708.db2.gz CSFAOSOKYZMRBU-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684571226 542829050 /nfs/dbraw/zinc/82/90/50/542829050.db2.gz XMYQHLRLIWETID-CYBMUJFWSA-N 2 0 285.391 2.907 20 0 CFADRP C[N@@H+](Cc1cnc(C2CC2)s1)CC1CC[NH+](C)CC1 ZINC000093089282 393794545 /nfs/dbraw/zinc/79/45/45/393794545.db2.gz NNRPVJCAYLNTJP-UHFFFAOYSA-N 2 0 279.453 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000093215875 393796832 /nfs/dbraw/zinc/79/68/32/393796832.db2.gz FVXLXELVXZKHTE-MNOVXSKESA-N 2 0 256.752 2.839 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414217822 393797320 /nfs/dbraw/zinc/79/73/20/393797320.db2.gz CVPLOBYGSIEDTD-ONIAQPFYSA-N 2 0 286.419 2.515 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000093215873 393797411 /nfs/dbraw/zinc/79/74/11/393797411.db2.gz FVXLXELVXZKHTE-GHMZBOCLSA-N 2 0 256.752 2.839 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC000414691813 393802686 /nfs/dbraw/zinc/80/26/86/393802686.db2.gz JQYGYOFCNPHLFN-QLFBSQMISA-N 2 0 258.409 2.994 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825946 393805745 /nfs/dbraw/zinc/80/57/45/393805745.db2.gz DJUZHPOCGAFYGS-NSHDSACASA-N 2 0 272.314 2.795 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414813631 393805937 /nfs/dbraw/zinc/80/59/37/393805937.db2.gz UJPYEMDRODRAMW-UHFFFAOYSA-N 2 0 297.487 2.521 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC3 ZINC000414890314 393808922 /nfs/dbraw/zinc/80/89/22/393808922.db2.gz MKXZBUFSIJAHFT-XJKSGUPXSA-N 2 0 283.419 2.661 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415106914 393812394 /nfs/dbraw/zinc/81/23/94/393812394.db2.gz OFPQUVLVBFLMBQ-LMSBXDPUSA-N 2 0 288.435 2.742 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415092717 393812408 /nfs/dbraw/zinc/81/24/08/393812408.db2.gz AVXZCOULUGDFDJ-ULQDDVLXSA-N 2 0 276.424 2.727 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424283532 393813432 /nfs/dbraw/zinc/81/34/32/393813432.db2.gz BAHIMJKWFURXAS-OEAJRASXSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424283127 393813492 /nfs/dbraw/zinc/81/34/92/393813492.db2.gz ATGGRUVEUQYMFJ-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP Clc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072845 393814801 /nfs/dbraw/zinc/81/48/01/393814801.db2.gz YFKPPMRUAJTNDG-GJZGRUSLSA-N 2 0 294.826 2.935 20 0 CFADRP Clc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072843 393814830 /nfs/dbraw/zinc/81/48/30/393814830.db2.gz YFKPPMRUAJTNDG-CABCVRRESA-N 2 0 294.826 2.935 20 0 CFADRP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073814 393816082 /nfs/dbraw/zinc/81/60/82/393816082.db2.gz FKKILVPAFBZFKM-VYDXJSESSA-N 2 0 275.440 2.563 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000424299622 393817294 /nfs/dbraw/zinc/81/72/94/393817294.db2.gz FEQJRXASJYJBCA-ZIAGYGMSSA-N 2 0 295.814 2.528 20 0 CFADRP Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000339405364 393822667 /nfs/dbraw/zinc/82/26/67/393822667.db2.gz BGEONHVOYHJFIQ-GFCCVEGCSA-N 2 0 254.805 2.936 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424321362 393827818 /nfs/dbraw/zinc/82/78/18/393827818.db2.gz IMDKOPPQSJNTHX-UONOGXRCSA-N 2 0 298.471 2.674 20 0 CFADRP Cc1ccc(C)c(OCCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424330939 393831111 /nfs/dbraw/zinc/83/11/11/393831111.db2.gz IWYVMPTWKJVOSV-HZPDHXFCSA-N 2 0 276.424 2.932 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246393001 393865330 /nfs/dbraw/zinc/86/53/30/393865330.db2.gz BFHPTWXJUWHTII-WMZOPIPTSA-N 3 0 295.515 2.961 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000425399610 393878610 /nfs/dbraw/zinc/87/86/10/393878610.db2.gz PGVSXOKOXODQNS-FUHWJXTLSA-N 2 0 294.483 2.855 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000424364689 393840334 /nfs/dbraw/zinc/84/03/34/393840334.db2.gz DZDBPWNJEAKDRK-APHBMKBZSA-N 2 0 294.414 2.872 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424364660 393840767 /nfs/dbraw/zinc/84/07/67/393840767.db2.gz DVGRAJVCKNNSBS-IIAWOOMASA-N 2 0 289.423 2.572 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424380381 393842209 /nfs/dbraw/zinc/84/22/09/393842209.db2.gz XBXUEHVZBDVDJW-QKPAOTATSA-N 2 0 296.455 2.748 20 0 CFADRP CCOC1(C)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000428726601 393909877 /nfs/dbraw/zinc/90/98/77/393909877.db2.gz VZKALWHWLJQMKI-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000342100452 393861120 /nfs/dbraw/zinc/86/11/20/393861120.db2.gz OJAPXGZQWAFFAT-MRXNPFEDSA-N 2 0 282.472 2.782 20 0 CFADRP Oc1cccc2c(NCC[N@H+]3CC=CCC3)cc[nH+]c12 ZINC000684598669 542834358 /nfs/dbraw/zinc/83/43/58/542834358.db2.gz AKCDHJBGPVIBQF-UHFFFAOYSA-N 2 0 269.348 2.614 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429014557 393933662 /nfs/dbraw/zinc/93/36/62/393933662.db2.gz YZHNXZAURYTFIV-ZWKOTPCHSA-N 2 0 288.435 2.792 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1 ZINC000346995921 393935434 /nfs/dbraw/zinc/93/54/34/393935434.db2.gz VQJCXFQGTCSFNW-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347440555 393940439 /nfs/dbraw/zinc/94/04/39/393940439.db2.gz OMIJDYBPPLVHPX-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000253284772 393941209 /nfs/dbraw/zinc/94/12/09/393941209.db2.gz NDTBZNYJBBEPFW-IPYPFGDCSA-N 2 0 276.449 2.806 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000261550216 393948587 /nfs/dbraw/zinc/94/85/87/393948587.db2.gz MXNSQWJMESSJDM-LYYZXLFJSA-N 2 0 250.430 2.933 20 0 CFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC1(C)C ZINC000417332465 393949866 /nfs/dbraw/zinc/94/98/66/393949866.db2.gz NXCDFIVQKPHYFZ-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)OCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272387128 394027093 /nfs/dbraw/zinc/02/70/93/394027093.db2.gz CIBBZYSWXVQBMS-WMZOPIPTSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000352608110 394016369 /nfs/dbraw/zinc/01/63/69/394016369.db2.gz FSHHUNAUDPAMRW-BZUAXINKSA-N 2 0 268.445 2.608 20 0 CFADRP Clc1ccc2c(c1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000262011136 393952418 /nfs/dbraw/zinc/95/24/18/393952418.db2.gz VDRGNVJXWGBYNK-UHFFFAOYSA-N 2 0 264.800 2.698 20 0 CFADRP C[C@@H]1CCSCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000429778094 393953597 /nfs/dbraw/zinc/95/35/97/393953597.db2.gz YNPKVPAHPWHVSG-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000271702768 394022655 /nfs/dbraw/zinc/02/26/55/394022655.db2.gz SVNTVDAUEZDARC-HIFRSBDPSA-N 2 0 262.397 2.830 20 0 CFADRP C(CC1CCCC1)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000122234235 393965967 /nfs/dbraw/zinc/96/59/67/393965967.db2.gz KBHMYEFPLUHFDB-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000264684473 393968152 /nfs/dbraw/zinc/96/81/52/393968152.db2.gz VXFSONIPETYCNN-CYBMUJFWSA-N 2 0 255.365 2.765 20 0 CFADRP C(=C\c1ccncc1)\C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000486929548 393972361 /nfs/dbraw/zinc/97/23/61/393972361.db2.gz BAIDEYOVAMGHPI-UPHRSURJSA-N 2 0 271.408 2.559 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H]2CCSC2)C1 ZINC000486978816 393977733 /nfs/dbraw/zinc/97/77/33/393977733.db2.gz HTJAHLQAZKKMQG-KFWWJZLASA-N 2 0 270.486 2.697 20 0 CFADRP C(=C/c1ccncc1)\C[NH2+]CCC[NH+]1CCCCC1 ZINC000486981125 393977750 /nfs/dbraw/zinc/97/77/50/393977750.db2.gz QIXQHSDAVMKNEG-GQCTYLIASA-N 2 0 259.397 2.560 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H]2CCSC2)C1 ZINC000486978819 393977788 /nfs/dbraw/zinc/97/77/88/393977788.db2.gz HTJAHLQAZKKMQG-ZNMIVQPWSA-N 2 0 270.486 2.697 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430535428 393991362 /nfs/dbraw/zinc/99/13/62/393991362.db2.gz AMHDNSHDDDQJBM-GOEBONIOSA-N 2 0 276.424 2.687 20 0 CFADRP CC(C)c1cccc(NC(=O)CN[C@](C)(C[NH3+])C(C)C)c1 ZINC000430564921 393993869 /nfs/dbraw/zinc/99/38/69/393993869.db2.gz DIVYGXNPWVSTEF-QGZVFWFLSA-N 2 0 291.439 2.712 20 0 CFADRP COc1cccc(CCC[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430569506 393994511 /nfs/dbraw/zinc/99/45/11/393994511.db2.gz IXWSRUPLDIERQG-KRWDZBQOSA-N 2 0 278.440 2.933 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@H]1CCSC1)C(C)C ZINC000487301201 393995976 /nfs/dbraw/zinc/99/59/76/393995976.db2.gz XQLMCWBZVSZIQI-CQSZACIVSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSc1ccccc1 ZINC000124634000 393996843 /nfs/dbraw/zinc/99/68/43/393996843.db2.gz YEOCAACRSNCUQU-OLZOCXBDSA-N 2 0 250.411 2.590 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC000430620017 393999715 /nfs/dbraw/zinc/99/97/15/393999715.db2.gz BQJWLIYWFOJJMG-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000269071579 394000917 /nfs/dbraw/zinc/00/09/17/394000917.db2.gz MVURXURXKAIAFS-SUMWQHHRSA-N 2 0 294.414 2.759 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000430694408 394005440 /nfs/dbraw/zinc/00/54/40/394005440.db2.gz KHPOENRDMCJPOX-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@H]1CC1(C)C ZINC000487554727 394011448 /nfs/dbraw/zinc/01/14/48/394011448.db2.gz FHADJRBEFJKIDU-DZGCQCFKSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000432789555 394012482 /nfs/dbraw/zinc/01/24/82/394012482.db2.gz SXGOTVVIAMTBPD-BZUAXINKSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(Cl)cs1 ZINC000487576128 394014260 /nfs/dbraw/zinc/01/42/60/394014260.db2.gz RXFAETAYMUKRHW-UHFFFAOYSA-N 2 0 290.860 2.850 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccs2)CN1C1CC1 ZINC000128363535 394068078 /nfs/dbraw/zinc/06/80/78/394068078.db2.gz ZULDPWQOHHUFMS-NEPJUHHUSA-N 2 0 250.411 2.505 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437781112 394074428 /nfs/dbraw/zinc/07/44/28/394074428.db2.gz FGIXJMOSFVYBRY-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000357025135 394084000 /nfs/dbraw/zinc/08/40/00/394084000.db2.gz YQNYPMVHILFZEB-CWQOZTLDSA-N 2 0 294.483 2.996 20 0 CFADRP C[NH2+]C[C@H](C)CNc1ccnc2c(OC)cccc12 ZINC000420216651 394097294 /nfs/dbraw/zinc/09/72/94/394097294.db2.gz XBRGNDAXKMXKIQ-NSHDSACASA-N 2 0 259.353 2.511 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000126542948 394030721 /nfs/dbraw/zinc/03/07/21/394030721.db2.gz SDNFORMHVLPRFV-WBMJQRKESA-N 2 0 290.838 2.881 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000353515276 394031611 /nfs/dbraw/zinc/03/16/11/394031611.db2.gz HXJURTVGXAUWQL-VVLHAWIVSA-N 2 0 282.472 2.900 20 0 CFADRP COCCC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000282004376 394108699 /nfs/dbraw/zinc/10/86/99/394108699.db2.gz QRKPGZBXAHFLFJ-IRXDYDNUSA-N 2 0 294.414 2.977 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000420281050 394114753 /nfs/dbraw/zinc/11/47/53/394114753.db2.gz LZRNHNZKVFAWBQ-KBPBESRZSA-N 2 0 269.392 2.895 20 0 CFADRP CC(C)c1cc(N2CC[NH2+]C(C)(C)C2)nc(C(C)C)n1 ZINC000420283364 394115688 /nfs/dbraw/zinc/11/56/88/394115688.db2.gz TWBICJDJKATHRA-UHFFFAOYSA-N 2 0 276.428 2.912 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381774 394118317 /nfs/dbraw/zinc/11/83/17/394118317.db2.gz CPUQESFBQDYKRT-WBVHZDCISA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCc2cccc3ccccc32)CCCO1 ZINC000420383157 394119050 /nfs/dbraw/zinc/11/90/50/394119050.db2.gz FFQSEBOBWHYASF-SFHVURJKSA-N 2 0 298.430 2.822 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000284410752 394137382 /nfs/dbraw/zinc/13/73/82/394137382.db2.gz NXTCOKCUHMWHEX-HZPDHXFCSA-N 2 0 285.391 2.977 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@@H](C)CCOC)[NH+]1CCCC1 ZINC000132336307 394152536 /nfs/dbraw/zinc/15/25/36/394152536.db2.gz VMBJSFNIOVMDSW-GOEBONIOSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H](CSC)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132397408 394154553 /nfs/dbraw/zinc/15/45/53/394154553.db2.gz SVPAGJDHRFFHGI-SWHYSGLUSA-N 2 0 250.411 2.862 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C ZINC000133077610 394168714 /nfs/dbraw/zinc/16/87/14/394168714.db2.gz KYXUVCPYBPXSSO-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421372166 394206468 /nfs/dbraw/zinc/20/64/68/394206468.db2.gz KOEPYLXABWMCDE-UHFFFAOYSA-N 2 0 278.444 2.735 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000421374902 394208405 /nfs/dbraw/zinc/20/84/05/394208405.db2.gz IBYHYYHEHIKFAM-INIZCTEOSA-N 2 0 289.467 2.964 20 0 CFADRP Cc1cccn2c(C[NH2+]C3CCC([NH+](C)C)CC3)cnc12 ZINC000421378851 394210882 /nfs/dbraw/zinc/21/08/82/394210882.db2.gz WHDLFOKVDSVYLP-UHFFFAOYSA-N 2 0 286.423 2.605 20 0 CFADRP COc1cccc(F)c1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000135146999 394212208 /nfs/dbraw/zinc/21/22/08/394212208.db2.gz ZKSLFSQRXJFZNX-RWMBFGLXSA-N 2 0 280.387 2.968 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000449078389 394214259 /nfs/dbraw/zinc/21/42/59/394214259.db2.gz UVPBBALOFXQHPC-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CCCCCC3)C2)CC[N@@H+]1C ZINC000364458586 394215697 /nfs/dbraw/zinc/21/56/97/394215697.db2.gz NPTIFKUSUDVRHQ-BRWVUGGUSA-N 2 0 293.499 2.856 20 0 CFADRP Cc1cccc(CC[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000449128809 394222155 /nfs/dbraw/zinc/22/21/55/394222155.db2.gz AWFYMTVIPDRGHI-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000449130665 394223118 /nfs/dbraw/zinc/22/31/18/394223118.db2.gz ZYRLVYRNVGAURH-SMDDNHRTSA-N 2 0 277.412 2.669 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449131360 394223901 /nfs/dbraw/zinc/22/39/01/394223901.db2.gz MBMRQLNFMDINNV-CQSZACIVSA-N 2 0 264.413 2.922 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422877667 394257900 /nfs/dbraw/zinc/25/79/00/394257900.db2.gz IAPNSBFSRRZCTJ-MHORFTMASA-N 3 0 295.515 2.865 20 0 CFADRP CSCCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000365641912 394232561 /nfs/dbraw/zinc/23/25/61/394232561.db2.gz HHNAXUATHSQGBR-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000449161282 394235960 /nfs/dbraw/zinc/23/59/60/394235960.db2.gz FEZNVXVMXBCORE-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449166462 394238016 /nfs/dbraw/zinc/23/80/16/394238016.db2.gz DARQKHGNKDUNBD-AWEZNQCLSA-N 2 0 264.413 2.922 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC000421819514 394243681 /nfs/dbraw/zinc/24/36/81/394243681.db2.gz HNGPZQPJRGXUOO-KRWDZBQOSA-N 2 0 287.451 2.795 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CC1 ZINC000422924573 394259031 /nfs/dbraw/zinc/25/90/31/394259031.db2.gz ZAUIPAXIEQDOKS-RDJZCZTQSA-N 2 0 272.392 2.632 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000449186077 394246520 /nfs/dbraw/zinc/24/65/20/394246520.db2.gz HGLJNIFVHPUKCG-ILMPWQCYSA-N 2 0 294.483 2.779 20 0 CFADRP CS[C@H](C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422942978 394259271 /nfs/dbraw/zinc/25/92/71/394259271.db2.gz XHQRCGMDDXALBU-IVMMDQJWSA-N 2 0 292.448 2.583 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449209312 394253138 /nfs/dbraw/zinc/25/31/38/394253138.db2.gz PHOGTQIIMLZQFT-KLHDSHLOSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422708013 394253180 /nfs/dbraw/zinc/25/31/80/394253180.db2.gz BEEXVSLMJBZZEI-DLBZAZTESA-N 3 0 281.488 2.763 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422741304 394254029 /nfs/dbraw/zinc/25/40/29/394254029.db2.gz PKQYWRDXFKCLGH-JSGCOSHPSA-N 2 0 286.341 2.965 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000362635070 394189614 /nfs/dbraw/zinc/18/96/14/394189614.db2.gz AERYJGMOASYHJB-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449229567 394259843 /nfs/dbraw/zinc/25/98/43/394259843.db2.gz CEFJVZBWAHJQDC-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP CC[C@@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771625 394255521 /nfs/dbraw/zinc/25/55/21/394255521.db2.gz XNIGPRPHBOCRML-OAGGEKHMSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423031098 394260976 /nfs/dbraw/zinc/26/09/76/394260976.db2.gz WOTXXAFBUHEDMV-QPSCCSFWSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000423041984 394262496 /nfs/dbraw/zinc/26/24/96/394262496.db2.gz KAXHVVDAYUYRHT-MJVIPROJSA-N 2 0 266.360 2.755 20 0 CFADRP CO[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(F)(F)F ZINC000423065404 394262812 /nfs/dbraw/zinc/26/28/12/394262812.db2.gz BGGHFIHRYPVUHA-YNEHKIRRSA-N 2 0 288.313 2.688 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423068987 394263066 /nfs/dbraw/zinc/26/30/66/394263066.db2.gz LBXXSRSCMNNHHP-VHDGCEQUSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423072397 394263532 /nfs/dbraw/zinc/26/35/32/394263532.db2.gz HEJUCSPHARSFRT-HUBLWGQQSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423075580 394264593 /nfs/dbraw/zinc/26/45/93/394264593.db2.gz OVRAIONPHLWWKD-AXFHLTTASA-N 2 0 252.324 2.838 20 0 CFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423076565 394265501 /nfs/dbraw/zinc/26/55/01/394265501.db2.gz ZGQWHVUSABJBQJ-AYOQOUSVSA-N 2 0 296.414 2.633 20 0 CFADRP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2c(s1)CCC2 ZINC000151934505 394266569 /nfs/dbraw/zinc/26/65/69/394266569.db2.gz CIVBJKLQVGXHRE-NSHDSACASA-N 2 0 252.427 2.839 20 0 CFADRP Cc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cs1 ZINC000449253117 394268507 /nfs/dbraw/zinc/26/85/07/394268507.db2.gz XMUGHFDAAKGRST-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000423087402 394268869 /nfs/dbraw/zinc/26/88/69/394268869.db2.gz POCRAUTXHHDIOO-MRVPVSSYSA-N 2 0 278.293 2.850 20 0 CFADRP Fc1ccccc1[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423093443 394270044 /nfs/dbraw/zinc/27/00/44/394270044.db2.gz HLZRVMOUPPPQBT-KWIKQGISSA-N 2 0 274.383 2.944 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423116570 394270643 /nfs/dbraw/zinc/27/06/43/394270643.db2.gz QLALQPCRFNGLQQ-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000368388815 394272076 /nfs/dbraw/zinc/27/20/76/394272076.db2.gz SZSQMNZVPKCIFM-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000423146589 394272299 /nfs/dbraw/zinc/27/22/99/394272299.db2.gz AXVDIWVVRXLLDN-AEGPPILISA-N 2 0 282.378 2.970 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[NH3+])c1 ZINC000423184005 394272752 /nfs/dbraw/zinc/27/27/52/394272752.db2.gz SWZDDUOAOCGMAP-JTQLQIEISA-N 2 0 258.312 2.596 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CC2([NH3+])CCCCC2)C[C@@H]1OC ZINC000423181739 394272919 /nfs/dbraw/zinc/27/29/19/394272919.db2.gz PKJRECDLXVEBND-KBPBESRZSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423212628 394273579 /nfs/dbraw/zinc/27/35/79/394273579.db2.gz ISOICDCBMWHGCC-QEORTHHSSA-N 2 0 274.408 2.747 20 0 CFADRP CCCC[C@H](C(=O)OC)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000368535313 394273975 /nfs/dbraw/zinc/27/39/75/394273975.db2.gz VSKKCXQOVPQEFK-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP CC(C)C1CCC([NH2+]C[C@@H]2CCCN2CCCO)CC1 ZINC000449385152 394274943 /nfs/dbraw/zinc/27/49/43/394274943.db2.gz DYDBFDYZDMMRSQ-JCYILVPMSA-N 2 0 282.472 2.638 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000423391714 394279583 /nfs/dbraw/zinc/27/95/83/394279583.db2.gz POXLFLULJJZCGX-GPCCPHFNSA-N 2 0 266.335 2.812 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423376028 394279788 /nfs/dbraw/zinc/27/97/88/394279788.db2.gz IZPJPPFBGOGIJC-DCAQKATOSA-N 2 0 254.399 2.677 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423402128 394280723 /nfs/dbraw/zinc/28/07/23/394280723.db2.gz RHGWOIWRDVJRFC-PVAVHDDUSA-N 2 0 260.425 2.841 20 0 CFADRP Cc1c[nH+]ccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000369530155 394281231 /nfs/dbraw/zinc/28/12/31/394281231.db2.gz GNQTYSBSBVDYSA-HDICACEKSA-N 2 0 293.414 2.958 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423443628 394281968 /nfs/dbraw/zinc/28/19/68/394281968.db2.gz QMGXEFNKSBWWHV-USXIJHARSA-N 2 0 291.414 2.896 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C[NH+](C)C ZINC000293282439 394282077 /nfs/dbraw/zinc/28/20/77/394282077.db2.gz CVTXULXIPNPADX-IAQYHMDHSA-N 2 0 250.361 2.600 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423445597 394282418 /nfs/dbraw/zinc/28/24/18/394282418.db2.gz MUUIYVSOSVFBQU-QWQRMKEZSA-N 2 0 287.451 2.863 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000153402612 394283123 /nfs/dbraw/zinc/28/31/23/394283123.db2.gz GVFKMTPLDWGDJQ-FGTMMUONSA-N 3 0 295.515 2.815 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423496982 394283927 /nfs/dbraw/zinc/28/39/27/394283927.db2.gz YBKUVDKQYSZEHQ-IIAWOOMASA-N 2 0 274.408 2.926 20 0 CFADRP CCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC1 ZINC000423502973 394284505 /nfs/dbraw/zinc/28/45/05/394284505.db2.gz DHZANJBWSYEQIQ-ABHNRTSZSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CN1C1CC1 ZINC000423512531 394286165 /nfs/dbraw/zinc/28/61/65/394286165.db2.gz UWPPXUJUQOAPOS-QGPMSJSTSA-N 3 0 287.451 2.681 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423510599 394286208 /nfs/dbraw/zinc/28/62/08/394286208.db2.gz MQUQPFWZEIIRIW-CJNGLKHVSA-N 2 0 272.396 2.551 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000423516984 394288170 /nfs/dbraw/zinc/28/81/70/394288170.db2.gz UHWXKDWZHNSTBA-UWWQBHOKSA-N 2 0 281.403 2.888 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nn1C ZINC000423519794 394289100 /nfs/dbraw/zinc/28/91/00/394289100.db2.gz QNTFMHZICIJCDE-HOCLYGCPSA-N 2 0 286.423 2.859 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000153741050 394290186 /nfs/dbraw/zinc/29/01/86/394290186.db2.gz VQJMRIYZSDYGSP-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC)c(OC)c1 ZINC000423532300 394292209 /nfs/dbraw/zinc/29/22/09/394292209.db2.gz VBQKDHZNUZDVGJ-HNNXBMFYSA-N 2 0 292.423 2.887 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000153787377 394292439 /nfs/dbraw/zinc/29/24/39/394292439.db2.gz LPYJZABKUKGVMO-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000423536784 394293086 /nfs/dbraw/zinc/29/30/86/394293086.db2.gz BABTWPZGYPXJBM-IWGURSETSA-N 2 0 292.467 2.559 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423534563 394293335 /nfs/dbraw/zinc/29/33/35/394293335.db2.gz AEDAUNQWBJDINP-HOTGVXAUSA-N 2 0 280.456 2.870 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537411 394293901 /nfs/dbraw/zinc/29/39/01/394293901.db2.gz CWTLBFBDOSLLRW-AFIMGQEJSA-N 2 0 270.420 2.960 20 0 CFADRP c1cncc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)C2CCC2)c1 ZINC000423539865 394294011 /nfs/dbraw/zinc/29/40/11/394294011.db2.gz PMBYCJLGSUYBKJ-KRWDZBQOSA-N 2 0 271.408 2.822 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537909 394294026 /nfs/dbraw/zinc/29/40/26/394294026.db2.gz DVNJSNQSKLAYJC-VNAATALASA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538433 394294052 /nfs/dbraw/zinc/29/40/52/394294052.db2.gz GHWQAEKACNTEGF-SUJAAXHWSA-N 2 0 250.430 2.789 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423542377 394294776 /nfs/dbraw/zinc/29/47/76/394294776.db2.gz AUFFBYADOMDPDZ-OXXUSNJHSA-N 2 0 288.435 2.919 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CCC[NH2+]C3CC3)C2)c1 ZINC000423553056 394296294 /nfs/dbraw/zinc/29/62/94/394296294.db2.gz KEMZUMVHLFPEJW-PBHICJAKSA-N 2 0 273.424 2.840 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000423556265 394297244 /nfs/dbraw/zinc/29/72/44/394297244.db2.gz YTXBYFDRPXMRQR-XDQVBPFNSA-N 2 0 292.398 2.873 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)c1 ZINC000423559154 394297428 /nfs/dbraw/zinc/29/74/28/394297428.db2.gz OLNRRGWUHYOSQB-GOSISDBHSA-N 2 0 288.435 2.748 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000423566284 394298295 /nfs/dbraw/zinc/29/82/95/394298295.db2.gz TYRAFDYRWWGTEF-XHSDSOJGSA-N 2 0 296.455 2.620 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(CC)CC ZINC000423571344 394299138 /nfs/dbraw/zinc/29/91/38/394299138.db2.gz XJASEBVYQPKBNF-HUUCEWRRSA-N 2 0 268.445 2.702 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000154883410 394304050 /nfs/dbraw/zinc/30/40/50/394304050.db2.gz KTNSEOZUQHYFRT-AEFFLSMTSA-N 2 0 289.467 2.753 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493917017 394336505 /nfs/dbraw/zinc/33/65/05/394336505.db2.gz OKANHYPWQSRSFG-RDJZCZTQSA-N 2 0 288.435 2.702 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000155740820 394322295 /nfs/dbraw/zinc/32/22/95/394322295.db2.gz YOPUIXMMARDHMV-DLBZAZTESA-N 2 0 289.467 2.672 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCC(F)(F)C1 ZINC000450911865 394343204 /nfs/dbraw/zinc/34/32/04/394343204.db2.gz WXQRZKAZVSXNLC-CYBMUJFWSA-N 2 0 260.372 2.840 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000450981549 394343962 /nfs/dbraw/zinc/34/39/62/394343962.db2.gz IYGWKHMTEGMEJF-FGTMMUONSA-N 2 0 293.499 2.808 20 0 CFADRP CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451021097 394347605 /nfs/dbraw/zinc/34/76/05/394347605.db2.gz BDKMDFIYQWDXSF-UONOGXRCSA-N 2 0 277.412 2.789 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158157971 394354949 /nfs/dbraw/zinc/35/49/49/394354949.db2.gz HNHNLWMBTQHBDD-JKIFEVAISA-N 2 0 258.409 2.851 20 0 CFADRP C[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1C ZINC000166317489 394369773 /nfs/dbraw/zinc/36/97/73/394369773.db2.gz PNFYBRWIBFMUAT-NVXWUHKLSA-N 2 0 293.499 2.856 20 0 CFADRP CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000451273618 394372197 /nfs/dbraw/zinc/37/21/97/394372197.db2.gz VYLCWCHZSZQGDF-FUHWJXTLSA-N 2 0 299.418 2.774 20 0 CFADRP FCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453231417 394382581 /nfs/dbraw/zinc/38/25/81/394382581.db2.gz YFGRHQAQSNYVRR-BBWFWOEESA-N 2 0 276.399 2.989 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000527298428 394385157 /nfs/dbraw/zinc/38/51/57/394385157.db2.gz WVYRCRPEJIRKIO-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCO1 ZINC000453323516 394385553 /nfs/dbraw/zinc/38/55/53/394385553.db2.gz UKMZHTJDLWABMZ-ZKXLYKBJSA-N 2 0 294.483 2.900 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC2)[C@H](C)C1 ZINC000178332293 394387307 /nfs/dbraw/zinc/38/73/07/394387307.db2.gz CPRDGJRZUJDKCG-VYDXJSESSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000453341924 394387768 /nfs/dbraw/zinc/38/77/68/394387768.db2.gz HOPYQNRVYHWGOM-ZFWWWQNUSA-N 2 0 264.388 2.749 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000178413753 394387821 /nfs/dbraw/zinc/38/78/21/394387821.db2.gz DAIDPPBPHFGHQZ-MRXNPFEDSA-N 2 0 274.408 2.976 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000453341922 394388059 /nfs/dbraw/zinc/38/80/59/394388059.db2.gz HOPYQNRVYHWGOM-HIFRSBDPSA-N 2 0 264.388 2.749 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527646699 394395499 /nfs/dbraw/zinc/39/54/99/394395499.db2.gz WVRPCUGVTMTOPK-VRKREXBASA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527663412 394396301 /nfs/dbraw/zinc/39/63/01/394396301.db2.gz ZPPDHXUIKVCAPI-KNCCTNLNSA-N 2 0 292.467 2.512 20 0 CFADRP CCOC(=O)C1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453397922 394396584 /nfs/dbraw/zinc/39/65/84/394396584.db2.gz KELXXZSKDVLIDU-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccncc2Cl)C1 ZINC000527720640 394399697 /nfs/dbraw/zinc/39/96/97/394399697.db2.gz OLAXTPPRLUDEBF-GFCCVEGCSA-N 2 0 267.804 2.557 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nccs1 ZINC000453418513 394400606 /nfs/dbraw/zinc/40/06/06/394400606.db2.gz YGFASKMJAUSBCK-LLVKDONJSA-N 2 0 253.415 2.668 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453416101 394400638 /nfs/dbraw/zinc/40/06/38/394400638.db2.gz JUZHDDMXUKZSJS-WZRBSPASSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453416096 394400835 /nfs/dbraw/zinc/40/08/35/394400835.db2.gz JUZHDDMXUKZSJS-NQBHXWOUSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453431970 394403338 /nfs/dbraw/zinc/40/33/38/394403338.db2.gz RYKOIVNBCJXJJA-TUVASFSCSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C ZINC000685455288 542916584 /nfs/dbraw/zinc/91/65/84/542916584.db2.gz LXJYPPBUKFIZPE-MRXNPFEDSA-N 2 0 295.515 2.628 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)CC2 ZINC000528002337 394437840 /nfs/dbraw/zinc/43/78/40/394437840.db2.gz PXLBLRAHHHQBIK-FUHWJXTLSA-N 2 0 299.462 2.936 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H]2CCC[C@@H]21 ZINC000527921685 394425879 /nfs/dbraw/zinc/42/58/79/394425879.db2.gz PHPJTAPGCHQCJD-JHMPBIJASA-N 2 0 262.441 2.885 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)OCC ZINC000527930807 394427587 /nfs/dbraw/zinc/42/75/87/394427587.db2.gz LITHENGVUOOVMG-ZNMIVQPWSA-N 2 0 256.434 2.512 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2n1 ZINC000527964973 394433042 /nfs/dbraw/zinc/43/30/42/394433042.db2.gz WAQFEWUBAWPRQJ-XYJFISCASA-N 2 0 298.434 2.536 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]21 ZINC000530210297 394480686 /nfs/dbraw/zinc/48/06/86/394480686.db2.gz JDWCUCLNJQQSJN-RLKDUZNASA-N 2 0 288.822 2.851 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530210023 394480933 /nfs/dbraw/zinc/48/09/33/394480933.db2.gz KHFSHLZNQNGCDK-IASZTOCISA-N 2 0 272.436 2.971 20 0 CFADRP C(C[C@H]1CCCOC1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000530207993 394480992 /nfs/dbraw/zinc/48/09/92/394480992.db2.gz FOKZATOCQMTWFO-TWMKSMIVSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]([NH2+]CC1CCc2ccccc2CC1)[C@@H]1CCC[NH2+]1 ZINC000530214297 394482649 /nfs/dbraw/zinc/48/26/49/394482649.db2.gz XEGUBQKYRONUIT-KSSFIOAISA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213532 394482769 /nfs/dbraw/zinc/48/27/69/394482769.db2.gz ADNCFOBDHZHUPA-ZBFHGGJFSA-N 2 0 273.424 2.667 20 0 CFADRP c1ccc2c(c1)CCC(C[NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000530214831 394482965 /nfs/dbraw/zinc/48/29/65/394482965.db2.gz YJSSQWINDNCURS-GOSISDBHSA-N 2 0 272.436 2.913 20 0 CFADRP FC(F)C1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530216121 394483921 /nfs/dbraw/zinc/48/39/21/394483921.db2.gz MRKAGVCPOGLRQH-HTAVTVPLSA-N 2 0 258.356 2.685 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000530218396 394486431 /nfs/dbraw/zinc/48/64/31/394486431.db2.gz FYXWLORKLSJPSR-ZBFHGGJFSA-N 2 0 275.371 2.627 20 0 CFADRP COCCC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000530221498 394488430 /nfs/dbraw/zinc/48/84/30/394488430.db2.gz FCWJVGHOIXCBRG-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226333 394491196 /nfs/dbraw/zinc/49/11/96/394491196.db2.gz ZUJVKPNPBJXSKF-SJORKVTESA-N 2 0 270.420 2.882 20 0 CFADRP CC(C)CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247665 394496773 /nfs/dbraw/zinc/49/67/73/394496773.db2.gz BOKORKRVFOQLHN-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000530386926 394510813 /nfs/dbraw/zinc/51/08/13/394510813.db2.gz WPQSGUMSRUPNJT-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)[C@@H](C)C1 ZINC000539074112 394622171 /nfs/dbraw/zinc/62/21/71/394622171.db2.gz UVSJXHVGDSBFPV-KBXCAEBGSA-N 2 0 272.436 2.721 20 0 CFADRP C[C@H](CC[NH2+]Cc1ccc2[nH]cnc2c1)[NH+]1CCCCC1 ZINC000541371296 394672072 /nfs/dbraw/zinc/67/20/72/394672072.db2.gz VHDNDJZWLDTKFK-CQSZACIVSA-N 2 0 286.423 2.917 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccn(C)n1 ZINC000541744811 394682929 /nfs/dbraw/zinc/68/29/29/394682929.db2.gz OEHQCXLUUUCLIU-INIZCTEOSA-N 2 0 292.471 2.973 20 0 CFADRP CCc1ccc(CN2CC[C@H](C[NH+](C)C)C2)s1 ZINC000541908882 394690823 /nfs/dbraw/zinc/69/08/23/394690823.db2.gz JLTUQOIUZSDXLO-GFCCVEGCSA-N 2 0 252.427 2.694 20 0 CFADRP C[NH+](CC(C)(C)C)CC1(C[N@H+](C)CC(C)(C)C)COC1 ZINC000543857568 394746007 /nfs/dbraw/zinc/74/60/07/394746007.db2.gz BQEINFCTDJMZAU-UHFFFAOYSA-N 2 0 284.488 2.959 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000544579400 394765186 /nfs/dbraw/zinc/76/51/86/394765186.db2.gz QULHXYFADVDQJM-JKSUJKDBSA-N 2 0 292.471 2.973 20 0 CFADRP CC(C)N(C)C[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000685658008 542938962 /nfs/dbraw/zinc/93/89/62/542938962.db2.gz JWGMELSOJPHZBY-OLZOCXBDSA-N 2 0 254.443 2.997 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000547308690 394857133 /nfs/dbraw/zinc/85/71/33/394857133.db2.gz MDPYFUOCSXMYJS-AWEZNQCLSA-N 2 0 296.842 2.992 20 0 CFADRP C[C@@H]1C[C@H](Nc2cc[nH+]c3c(O)cccc23)C[N@@H+]1C1CC1 ZINC000685909827 542956702 /nfs/dbraw/zinc/95/67/02/542956702.db2.gz FZZXROHVONNUOK-NEPJUHHUSA-N 2 0 283.375 2.978 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CN1C1CC1 ZINC000556726651 395011130 /nfs/dbraw/zinc/01/11/30/395011130.db2.gz BORLYRQKNIVBJN-DYVFJYSZSA-N 2 0 270.420 2.616 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)[C@H]2CCC[C@H]21 ZINC000556867845 395022200 /nfs/dbraw/zinc/02/22/00/395022200.db2.gz JLMAOFHNLYNSHK-HYVNUMGLSA-N 2 0 262.441 2.885 20 0 CFADRP CC[C@H]1CCC[C@@H](CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)C1 ZINC000556925750 395025430 /nfs/dbraw/zinc/02/54/30/395025430.db2.gz APXRXRMPXIRWMF-XWTMOSNGSA-N 2 0 294.483 2.998 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554881672 394961625 /nfs/dbraw/zinc/96/16/25/394961625.db2.gz BTYBOPYOEKUYIQ-ZWKOTPCHSA-N 2 0 290.451 2.564 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc21 ZINC000555239547 394969221 /nfs/dbraw/zinc/96/92/21/394969221.db2.gz RNNSMQYBQOCBFX-YESZJQIVSA-N 2 0 298.434 2.536 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@H]3CCC[C@H](C)C3)[C@H]2C1 ZINC000555592958 394977118 /nfs/dbraw/zinc/97/71/18/394977118.db2.gz LPWGXJCHBPTUSD-LUKYLMHMSA-N 2 0 280.456 2.608 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000558151879 395053131 /nfs/dbraw/zinc/05/31/31/395053131.db2.gz DIJXFCDSSHLGDU-IKGGRYGDSA-N 2 0 283.504 2.674 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000558152811 395053202 /nfs/dbraw/zinc/05/32/02/395053202.db2.gz XTZVIOYQHZYOSQ-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP c1ccc(O[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000648403301 395127842 /nfs/dbraw/zinc/12/78/42/395127842.db2.gz QCUHPHHOWAOGAD-QGZVFWFLSA-N 2 0 274.408 2.529 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000179954607 543008692 /nfs/dbraw/zinc/00/86/92/543008692.db2.gz MFTSCSLFRVDJDZ-STQMWFEESA-N 2 0 266.433 2.879 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCO1 ZINC000648483960 395168128 /nfs/dbraw/zinc/16/81/28/395168128.db2.gz WCLADAXKXLISTN-CKUJCDMFSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648494677 395173280 /nfs/dbraw/zinc/17/32/80/395173280.db2.gz SLVIQPJNCKXKQY-SFHVURJKSA-N 2 0 270.420 2.786 20 0 CFADRP c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1C[NH+]1CCCC1 ZINC000647144702 395173943 /nfs/dbraw/zinc/17/39/43/395173943.db2.gz DQNQPTQKBVXIEP-HNNXBMFYSA-N 2 0 298.390 2.757 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC000648658686 395238804 /nfs/dbraw/zinc/23/88/04/395238804.db2.gz ROKCWYFYKQHROM-BBRMVZONSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647179930 395204596 /nfs/dbraw/zinc/20/45/96/395204596.db2.gz WEWIUXMRCZDODI-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@H](CCO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647185019 395209221 /nfs/dbraw/zinc/20/92/21/395209221.db2.gz LTPALKLKGLDPLK-NVXWUHKLSA-N 2 0 288.435 2.544 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000647190083 395213015 /nfs/dbraw/zinc/21/30/15/395213015.db2.gz HGWUDNVXTGLHKH-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647309475 395284519 /nfs/dbraw/zinc/28/45/19/395284519.db2.gz WGBMAVTYASEKEC-NFOMZHRRSA-N 2 0 290.455 2.743 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@@H]2CCC[C@H]21 ZINC000647312814 395285586 /nfs/dbraw/zinc/28/55/86/395285586.db2.gz OYYYEDFHRBDHHE-AIEDFZFUSA-N 2 0 254.393 2.730 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000647324937 395291686 /nfs/dbraw/zinc/29/16/86/395291686.db2.gz NUGSIRMHFPFHGG-RKTXRCNFSA-N 2 0 258.409 2.862 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000648744773 395295306 /nfs/dbraw/zinc/29/53/06/395295306.db2.gz PMSUOVZHLCJTEF-DLBZAZTESA-N 2 0 284.488 2.740 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn2cccc(F)c2n1 ZINC000648753070 395297930 /nfs/dbraw/zinc/29/79/30/395297930.db2.gz NZBDOVZNUNFMEQ-UHFFFAOYSA-N 2 0 292.402 2.683 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[C@H]1C ZINC000647249186 395256262 /nfs/dbraw/zinc/25/62/62/395256262.db2.gz HULUYLZCZTZDHW-PEZLKRJXSA-N 2 0 272.436 2.966 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647248793 395256530 /nfs/dbraw/zinc/25/65/30/395256530.db2.gz FPPARNGETRVYJN-XKQJLSEDSA-N 2 0 258.409 2.720 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480497 395353510 /nfs/dbraw/zinc/35/35/10/395353510.db2.gz POCWPKJJPVNWRF-DOTOQJQBSA-N 2 0 287.451 2.717 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482683 395354821 /nfs/dbraw/zinc/35/48/21/395354821.db2.gz XYRJUMOMTANKCO-CQSZACIVSA-N 2 0 286.419 2.769 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000647485213 395357580 /nfs/dbraw/zinc/35/75/80/395357580.db2.gz FXISKUJMCCNMRU-OAHLLOKOSA-N 2 0 269.392 2.666 20 0 CFADRP c1ccc(CN(CC[C@@H]2CCOC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000647493795 395358530 /nfs/dbraw/zinc/35/85/30/395358530.db2.gz QMEQOOMTQNJEAE-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@@H]1[NH3+] ZINC000647497233 395360046 /nfs/dbraw/zinc/36/00/46/395360046.db2.gz AKKAXSSCBSQAPF-GUYCJALGSA-N 2 0 269.392 2.794 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000647503319 395365806 /nfs/dbraw/zinc/36/58/06/395365806.db2.gz LNECYNCOGIJXAP-UHFFFAOYSA-N 2 0 293.480 2.843 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000647509986 395367167 /nfs/dbraw/zinc/36/71/67/395367167.db2.gz UHLPQTCBWZTREC-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000647516314 395370724 /nfs/dbraw/zinc/37/07/24/395370724.db2.gz FUKKPPLJMUPNKC-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000336614433 289066372 /nfs/dbraw/zinc/06/63/72/289066372.db2.gz IEEHZHCKHHTAHB-RUXDESIVSA-N 2 0 268.445 2.795 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647535764 395381242 /nfs/dbraw/zinc/38/12/42/395381242.db2.gz JEDUHXRNBMOAET-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP CCOc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)nc1 ZINC000647541390 395383595 /nfs/dbraw/zinc/38/35/95/395383595.db2.gz KIXSXPLNYOGYSB-UHFFFAOYSA-N 2 0 291.439 2.821 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543573 395384704 /nfs/dbraw/zinc/38/47/04/395384704.db2.gz PSBWUAZLMFUPNV-KBPBESRZSA-N 2 0 293.480 2.917 20 0 CFADRP Cc1ccncc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543689 395385486 /nfs/dbraw/zinc/38/54/86/395385486.db2.gz RDTUDEAPUWZAMX-CVEARBPZSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C(C)(C)C ZINC000647545805 395385793 /nfs/dbraw/zinc/38/57/93/395385793.db2.gz XCNGKDBEEDGMGJ-QLFBSQMISA-N 2 0 252.446 2.990 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(C)(C)C ZINC000647545806 395385913 /nfs/dbraw/zinc/38/59/13/395385913.db2.gz XCNGKDBEEDGMGJ-RBSFLKMASA-N 2 0 252.446 2.990 20 0 CFADRP CC1(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCC1 ZINC000647543850 395386092 /nfs/dbraw/zinc/38/60/92/395386092.db2.gz SVOPLIWONVKJBR-GJZGRUSLSA-N 2 0 250.430 2.888 20 0 CFADRP c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCCN2 ZINC000647546998 395386955 /nfs/dbraw/zinc/38/69/55/395386955.db2.gz JRUKRQVBKUAOLS-YESZJQIVSA-N 2 0 285.435 2.522 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000647548605 395387207 /nfs/dbraw/zinc/38/72/07/395387207.db2.gz KGKMWYUBWWMMTN-SOUVJXGZSA-N 2 0 292.398 2.702 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647550373 395389166 /nfs/dbraw/zinc/38/91/66/395389166.db2.gz NLKIMIFWOBUBPD-DMRKSPOLSA-N 2 0 294.483 2.805 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000647549891 395389593 /nfs/dbraw/zinc/38/95/93/395389593.db2.gz WOOIETBCVCBPIG-HPBDAGMYSA-N 2 0 287.451 2.799 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000647549890 395389669 /nfs/dbraw/zinc/38/96/69/395389669.db2.gz WOOIETBCVCBPIG-DDBAPUKQSA-N 2 0 287.451 2.799 20 0 CFADRP Cc1ccc(C[N@@H+](CC2CC2)C[C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000647552676 395390861 /nfs/dbraw/zinc/39/08/61/395390861.db2.gz QKFLTZBFVVXXKX-RDJZCZTQSA-N 2 0 287.451 2.990 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000647552776 395391731 /nfs/dbraw/zinc/39/17/31/395391731.db2.gz WLZIVZOQUYJODB-VHSXEESVSA-N 2 0 276.302 2.801 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000647553336 395392012 /nfs/dbraw/zinc/39/20/12/395392012.db2.gz UJRZSLQLWAMYBZ-MOPGFXCFSA-N 2 0 295.430 2.728 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1 ZINC000648845363 395336970 /nfs/dbraw/zinc/33/69/70/395336970.db2.gz AGFFMGLJDSPJDO-WMZOPIPTSA-N 2 0 288.435 2.763 20 0 CFADRP c1ccc(CC[C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647876114 395449122 /nfs/dbraw/zinc/44/91/22/395449122.db2.gz QDQHTISPWGLJDM-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647881183 395450951 /nfs/dbraw/zinc/45/09/51/395450951.db2.gz OHEMJXWPBFHBPC-GUYCJALGSA-N 2 0 256.393 2.748 20 0 CFADRP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCOCC[NH3+] ZINC000647882130 395451319 /nfs/dbraw/zinc/45/13/19/395451319.db2.gz MPDDLYTWCLLFJU-AWEZNQCLSA-N 2 0 272.392 2.808 20 0 CFADRP c1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647883446 395451764 /nfs/dbraw/zinc/45/17/64/395451764.db2.gz QIAWFGBCPTYAFF-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884370 395452318 /nfs/dbraw/zinc/45/23/18/395452318.db2.gz HXXBTOXPFLQJNK-GOEBONIOSA-N 2 0 274.408 2.832 20 0 CFADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884098 395452441 /nfs/dbraw/zinc/45/24/41/395452441.db2.gz HJWHRVCFDXBNFH-NVXWUHKLSA-N 2 0 258.409 2.611 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000647889384 395453330 /nfs/dbraw/zinc/45/33/30/395453330.db2.gz LVTLRQBOBCMANO-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CCCC2CC[NH2+]CC2)C1(C)C ZINC000647886754 395453542 /nfs/dbraw/zinc/45/35/42/395453542.db2.gz QDAHLWVSLTYIIV-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1SCC[N@H+](C[C@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000647886066 395453622 /nfs/dbraw/zinc/45/36/22/395453622.db2.gz NIGFGBDUJGIKTA-DZKIICNBSA-N 2 0 276.449 2.775 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000647890072 395454004 /nfs/dbraw/zinc/45/40/04/395454004.db2.gz LXNHRTHUAIOSOO-DVOMOZLQSA-N 2 0 262.372 2.818 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890805 395454144 /nfs/dbraw/zinc/45/41/44/395454144.db2.gz XQGGEHUJKRWUKL-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000647910778 395455982 /nfs/dbraw/zinc/45/59/82/395455982.db2.gz FJJARNPSFDMYHX-ZIAGYGMSSA-N 2 0 256.459 2.546 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000647990182 395474029 /nfs/dbraw/zinc/47/40/29/395474029.db2.gz BNZRXUASQMTEED-HNNXBMFYSA-N 2 0 262.397 2.515 20 0 CFADRP CCC[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245845 395460182 /nfs/dbraw/zinc/46/01/82/395460182.db2.gz KSIZPJBDIAFECZ-KRWDZBQOSA-N 2 0 282.472 2.735 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccsc2)CC[C@@H]1[NH3+] ZINC000647934470 395460698 /nfs/dbraw/zinc/46/06/98/395460698.db2.gz GPUJWGMIAYGAMQ-KBPBESRZSA-N 2 0 252.427 2.740 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000647971947 395471030 /nfs/dbraw/zinc/47/10/30/395471030.db2.gz CROLMVYLJOGZBC-YESZJQIVSA-N 2 0 284.488 2.882 20 0 CFADRP CO[C@H](Cc1ccccc1)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000649308801 395471427 /nfs/dbraw/zinc/47/14/27/395471427.db2.gz HXZXFLPECROGEL-GOSISDBHSA-N 2 0 290.451 2.518 20 0 CFADRP c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)oc1C1CC1 ZINC000647977836 395471468 /nfs/dbraw/zinc/47/14/68/395471468.db2.gz IRQWWEHGOKGTAF-CABCVRRESA-N 2 0 289.423 2.764 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000647786494 395427891 /nfs/dbraw/zinc/42/78/91/395427891.db2.gz QTIXQMFJAQZMII-DNNBLBMLSA-N 2 0 276.399 2.907 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647785971 395428140 /nfs/dbraw/zinc/42/81/40/395428140.db2.gz GZAYBDLSTPMWCU-BRWVUGGUSA-N 2 0 288.435 2.606 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786355 395428175 /nfs/dbraw/zinc/42/81/75/395428175.db2.gz NNDRKBOMVHTZKL-GVDBMIGSSA-N 2 0 288.435 2.524 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788345 395428724 /nfs/dbraw/zinc/42/87/24/395428724.db2.gz ICINMOGMUDULNG-QBPKDAKJSA-N 2 0 288.435 2.740 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000647791613 395429528 /nfs/dbraw/zinc/42/95/28/395429528.db2.gz ISIRWGXENRJWBB-BZUAXINKSA-N 2 0 280.456 2.561 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCO2 ZINC000647791426 395429536 /nfs/dbraw/zinc/42/95/36/395429536.db2.gz CSVQEBGNJSZASF-KLZCAUPSSA-N 2 0 290.382 2.627 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000647793713 395430183 /nfs/dbraw/zinc/43/01/83/395430183.db2.gz GAGNRXMNBCWQFF-RKTXRCNFSA-N 2 0 271.408 2.510 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794144 395431152 /nfs/dbraw/zinc/43/11/52/395431152.db2.gz SBKNXDIQNMMFSQ-MELADBBJSA-N 2 0 264.438 2.658 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794730 395431340 /nfs/dbraw/zinc/43/13/40/395431340.db2.gz BXKVWIYZTBPHBT-KSWRQPAISA-N 2 0 280.456 2.558 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000647796586 395432128 /nfs/dbraw/zinc/43/21/28/395432128.db2.gz FVCYXASUQCWQIM-BZUAXINKSA-N 2 0 283.419 2.688 20 0 CFADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795295 395432134 /nfs/dbraw/zinc/43/21/34/395432134.db2.gz MYXBUNPSDDNAOC-JFILPPLUSA-N 2 0 290.382 2.627 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000647797123 395432465 /nfs/dbraw/zinc/43/24/65/395432465.db2.gz ZMENFYSELXETLI-LYHPXFHOSA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798633 395432814 /nfs/dbraw/zinc/43/28/14/395432814.db2.gz UNQIFQCEGZNWIL-MHVQSMCWSA-N 2 0 250.430 2.789 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647796650 395432819 /nfs/dbraw/zinc/43/28/19/395432819.db2.gz IDAMXBBMDJGGCJ-HRCADAONSA-N 2 0 290.476 2.929 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647798828 395433915 /nfs/dbraw/zinc/43/39/15/395433915.db2.gz XZFSKSIXSVRTOZ-KZNAEPCWSA-N 2 0 270.420 2.850 20 0 CFADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000647799768 395433983 /nfs/dbraw/zinc/43/39/83/395433983.db2.gz QFTSMMYYSQMVBX-XLWJZTARSA-N 2 0 254.393 2.777 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978754 395472338 /nfs/dbraw/zinc/47/23/38/395472338.db2.gz XQZSDDOTUQODNZ-BZUAXINKSA-N 2 0 273.424 2.854 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800662 395434546 /nfs/dbraw/zinc/43/45/46/395434546.db2.gz IOYSXLDUDOHHMA-YLFCFFPRSA-N 2 0 258.409 2.897 20 0 CFADRP c1ccc([C@H]2C[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000647801399 395434911 /nfs/dbraw/zinc/43/49/11/395434911.db2.gz UMVJYDFYVNORHV-CTVHLWBWSA-N 2 0 256.393 2.663 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000647800723 395435008 /nfs/dbraw/zinc/43/50/08/395435008.db2.gz JLDGVKCZAFGXCV-VQHPVUNQSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647804093 395437046 /nfs/dbraw/zinc/43/70/46/395437046.db2.gz IRKMGVCFPSHBLY-DOERSZECSA-N 2 0 259.397 2.688 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2CC(C)C)[C@@H](C)C1 ZINC000648010116 395479859 /nfs/dbraw/zinc/47/98/59/395479859.db2.gz LIOXRXWDDWTQTE-DOTOQJQBSA-N 2 0 292.471 2.701 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000649411921 395489522 /nfs/dbraw/zinc/48/95/22/395489522.db2.gz VAILLPASJPRTNB-GOSISDBHSA-N 2 0 293.499 2.717 20 0 CFADRP CN1CC[N@H+](CCCC2CC[NH2+]CC2)Cc2ccccc21 ZINC000649412436 395489587 /nfs/dbraw/zinc/48/95/87/395489587.db2.gz LEUUSVPPNQCDSO-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000649417721 395490759 /nfs/dbraw/zinc/49/07/59/395490759.db2.gz CCLGJFWBWQEMDM-GJZGRUSLSA-N 2 0 277.412 2.503 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCCC(C)(C)C1)CCO2 ZINC000648071821 395497161 /nfs/dbraw/zinc/49/71/61/395497161.db2.gz VYTGLOQRIIXZOR-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@H]1CCC[C@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072200 395497504 /nfs/dbraw/zinc/49/75/04/395497504.db2.gz QXTLFSFTDIRKKR-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H](CCO)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000649870780 395583572 /nfs/dbraw/zinc/58/35/72/395583572.db2.gz JKWXLCHOOAPUEY-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000649903670 395588828 /nfs/dbraw/zinc/58/88/28/395588828.db2.gz SQTQKHNEFJKGJO-QWHCGFSZSA-N 2 0 258.356 2.592 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000355919556 155132730 /nfs/dbraw/zinc/13/27/30/155132730.db2.gz WYYSMESEXAHEDO-KRWDZBQOSA-N 2 0 295.515 2.911 20 0 CFADRP COC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000187714269 543059773 /nfs/dbraw/zinc/05/97/73/543059773.db2.gz BVWBQSVYXOPRLR-INIZCTEOSA-N 2 0 290.451 2.771 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)O ZINC000310006651 413084370 /nfs/dbraw/zinc/08/43/70/413084370.db2.gz ICMOKBQVCUYRPT-SOLBZPMBSA-N 2 0 290.451 2.648 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000311573548 413089038 /nfs/dbraw/zinc/08/90/38/413089038.db2.gz MWZBFRGODULYCA-HOCLYGCPSA-N 2 0 276.449 2.969 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000340288611 292077329 /nfs/dbraw/zinc/07/73/29/292077329.db2.gz UMFBUNOXQZUNMU-ZDUSSCGKSA-N 2 0 256.434 2.510 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459800653 289112120 /nfs/dbraw/zinc/11/21/20/289112120.db2.gz KOLIDTKVUXLWDE-KGLIPLIRSA-N 2 0 270.461 2.900 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401028516 413160554 /nfs/dbraw/zinc/16/05/54/413160554.db2.gz KFZCORKPWOXTCM-IJEWVQPXSA-N 2 0 278.827 2.860 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401025973 413159558 /nfs/dbraw/zinc/15/95/58/413159558.db2.gz UJWZDXHMMHIWRN-SGMGOOAPSA-N 2 0 250.411 2.534 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401133467 413159686 /nfs/dbraw/zinc/15/96/86/413159686.db2.gz PBEZWFRZDNWFJC-GBJTYRQASA-N 2 0 250.430 2.790 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000401163029 413163058 /nfs/dbraw/zinc/16/30/58/413163058.db2.gz UBVHTRHTRVVRLH-RWMBFGLXSA-N 2 0 282.790 2.957 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917792 397551187 /nfs/dbraw/zinc/55/11/87/397551187.db2.gz KMEWAVXIBYTWNZ-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)C[C@H](CNc1[nH+]ccc2[nH]ccc21)[NH+](C)C ZINC000663378787 413169155 /nfs/dbraw/zinc/16/91/55/413169155.db2.gz FRVXBGHMPSNGSP-GFCCVEGCSA-N 2 0 260.385 2.951 20 0 CFADRP C[NH+](C)CCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000390448963 397542474 /nfs/dbraw/zinc/54/24/74/397542474.db2.gz ZAXULAZTKZOYDQ-HNNXBMFYSA-N 2 0 260.425 2.723 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000390756738 397543851 /nfs/dbraw/zinc/54/38/51/397543851.db2.gz WUZPZUMIQURZCX-DJIMGWMZSA-N 2 0 290.476 2.992 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000186504841 292122746 /nfs/dbraw/zinc/12/27/46/292122746.db2.gz KMFAODSPRSOBIF-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000347117519 397657287 /nfs/dbraw/zinc/65/72/87/397657287.db2.gz URWLACUMXFBPJL-DJIMGWMZSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)c2ccccc21 ZINC000223696478 397622674 /nfs/dbraw/zinc/62/26/74/397622674.db2.gz MKMIQVZVMLTXQR-APHBMKBZSA-N 2 0 260.381 2.680 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000228812697 397624753 /nfs/dbraw/zinc/62/47/53/397624753.db2.gz XHPINYSEOQSBNF-SOUVJXGZSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285555392 397632635 /nfs/dbraw/zinc/63/26/35/397632635.db2.gz GWWDTLVAAHUBOD-AOCRQIFASA-N 2 0 290.451 2.790 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cncs1 ZINC000650757988 397885295 /nfs/dbraw/zinc/88/52/95/397885295.db2.gz GEZKRMMXPPRLLL-NSHDSACASA-N 2 0 261.394 2.713 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C12CCC2 ZINC000650757450 397885318 /nfs/dbraw/zinc/88/53/18/397885318.db2.gz XIYPGUUNPLAOPU-SJORKVTESA-N 2 0 288.435 2.843 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@H]1CCCC[NH2+]1 ZINC000650759455 397885331 /nfs/dbraw/zinc/88/53/31/397885331.db2.gz JWDHXOFQXFWBKD-HYVNUMGLSA-N 2 0 287.451 2.924 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](COC)C1CCCC1 ZINC000650757325 397885539 /nfs/dbraw/zinc/88/55/39/397885539.db2.gz UPYRTDYZLAUUKT-KRWDZBQOSA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650762535 397886929 /nfs/dbraw/zinc/88/69/29/397886929.db2.gz CYYOMAFPHGYHNV-JKSUJKDBSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000650762613 397886978 /nfs/dbraw/zinc/88/69/78/397886978.db2.gz GBRKDXPAUDIZIU-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762141 397887153 /nfs/dbraw/zinc/88/71/53/397887153.db2.gz UYIXTMNUWSCJIX-OAHLLOKOSA-N 2 0 275.440 2.772 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762140 397887198 /nfs/dbraw/zinc/88/71/98/397887198.db2.gz UYIXTMNUWSCJIX-HNNXBMFYSA-N 2 0 275.440 2.772 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703472 397859664 /nfs/dbraw/zinc/85/96/64/397859664.db2.gz AXEROPHATJVUFW-YOEHRIQHSA-N 2 0 258.409 2.782 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708844 397861750 /nfs/dbraw/zinc/86/17/50/397861750.db2.gz QHWYCXSKGNRVRO-MWDXBVQZSA-N 2 0 282.472 2.887 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709379 397861792 /nfs/dbraw/zinc/86/17/92/397861792.db2.gz XDXFKTORYICETG-AKKGJHILSA-N 2 0 286.419 2.769 20 0 CFADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707877 397861940 /nfs/dbraw/zinc/86/19/40/397861940.db2.gz OSGNZUILGKBZRH-ARFHVFGLSA-N 2 0 268.445 2.641 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc3cnccc3c1)C2 ZINC000650709955 397862943 /nfs/dbraw/zinc/86/29/43/397862943.db2.gz ZFAHJPRTHHRRRV-ROUUACIJSA-N 2 0 281.403 2.796 20 0 CFADRP Cc1cccc2ncc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n21 ZINC000650710893 397863952 /nfs/dbraw/zinc/86/39/52/397863952.db2.gz CDQSZLGJPIFEDL-BBRMVZONSA-N 2 0 286.423 2.592 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1C ZINC000650711877 397864086 /nfs/dbraw/zinc/86/40/86/397864086.db2.gz HEFHUILTRXMEII-CZUORRHYSA-N 2 0 276.424 2.953 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711122 397864098 /nfs/dbraw/zinc/86/40/98/397864098.db2.gz JHURQSQJEDKJIE-AAEUAGOBSA-N 2 0 267.442 2.655 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)n1 ZINC000650763174 397888004 /nfs/dbraw/zinc/88/80/04/397888004.db2.gz TUWJEFPEGRTKPX-CYBMUJFWSA-N 2 0 261.413 2.739 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000650715097 397865468 /nfs/dbraw/zinc/86/54/68/397865468.db2.gz PDGLMQKIZRZASY-JJRVBVJISA-N 2 0 258.409 2.960 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000650717926 397867515 /nfs/dbraw/zinc/86/75/15/397867515.db2.gz QWVBFFMBGPBUIA-GOEBONIOSA-N 2 0 280.387 2.578 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717728 397867721 /nfs/dbraw/zinc/86/77/21/397867721.db2.gz KMXYGHDIRCKUKE-XHDPSFHLSA-N 2 0 250.361 2.953 20 0 CFADRP CC1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650718162 397868464 /nfs/dbraw/zinc/86/84/64/397868464.db2.gz ZXYLXHHKNAAYAL-UHFFFAOYSA-N 2 0 250.361 2.953 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763759 397888423 /nfs/dbraw/zinc/88/84/23/397888423.db2.gz JCDQLFIHQJPZOF-KRWDZBQOSA-N 2 0 258.409 2.962 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)cc1F ZINC000650720583 397869067 /nfs/dbraw/zinc/86/90/67/397869067.db2.gz UYCURZGVGXQEDQ-UHFFFAOYSA-N 2 0 288.366 2.844 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@H]1CCC[NH2+]CC1)N2 ZINC000650721260 397870629 /nfs/dbraw/zinc/87/06/29/397870629.db2.gz YZQSJVNKAVYPTF-JKSUJKDBSA-N 2 0 273.424 2.535 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764241 397888582 /nfs/dbraw/zinc/88/85/82/397888582.db2.gz UEKIXKJJRCRBPN-LBPRGKRZSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763760 397888607 /nfs/dbraw/zinc/88/86/07/397888607.db2.gz JCDQLFIHQJPZOF-QGZVFWFLSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724473 397871661 /nfs/dbraw/zinc/87/16/61/397871661.db2.gz HAOWHJQPYPHQMF-KBPBESRZSA-N 2 0 276.399 2.787 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000650740787 397874832 /nfs/dbraw/zinc/87/48/32/397874832.db2.gz RHAWHLROGMFWSO-FUHWJXTLSA-N 2 0 291.483 2.512 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000650741036 397875425 /nfs/dbraw/zinc/87/54/25/397875425.db2.gz WOUHDRJUQPEXBV-DLBZAZTESA-N 2 0 275.440 2.699 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650742730 397876611 /nfs/dbraw/zinc/87/66/11/397876611.db2.gz CLRINXWBSMKLCN-ZDUSSCGKSA-N 2 0 262.397 2.865 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)ccc1F ZINC000650744923 397878117 /nfs/dbraw/zinc/87/81/17/397878117.db2.gz YCRPNIAUQXUUCW-JTQLQIEISA-N 2 0 254.324 2.744 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000650744213 397878339 /nfs/dbraw/zinc/87/83/39/397878339.db2.gz INAKAUZVBWQTBO-SECBINFHSA-N 2 0 272.314 2.884 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(CC)CC ZINC000650745704 397878674 /nfs/dbraw/zinc/87/86/74/397878674.db2.gz MBRLJEXLPVFATG-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745342 397878707 /nfs/dbraw/zinc/87/87/07/397878707.db2.gz DQSOFYPIGIIYBJ-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccn1 ZINC000650745556 397878726 /nfs/dbraw/zinc/87/87/26/397878726.db2.gz JHKOMYXPWMOTMU-OAHLLOKOSA-N 2 0 261.413 2.887 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752524 397882394 /nfs/dbraw/zinc/88/23/94/397882394.db2.gz SQOJCVJCWJARMA-GFCCVEGCSA-N 2 0 276.355 2.988 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccc(CO)c1 ZINC000650754642 397883674 /nfs/dbraw/zinc/88/36/74/397883674.db2.gz NKTWZPONRJEMEN-GFCCVEGCSA-N 2 0 288.366 2.628 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650753409 397883760 /nfs/dbraw/zinc/88/37/60/397883760.db2.gz MTFFAGHVTDTDJN-HUUCEWRRSA-N 2 0 280.387 2.578 20 0 CFADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CC1 ZINC000650753433 397883961 /nfs/dbraw/zinc/88/39/61/397883961.db2.gz NDLVACCPBILHLT-HNNXBMFYSA-N 2 0 250.361 2.809 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC000403510625 413180377 /nfs/dbraw/zinc/18/03/77/413180377.db2.gz BVCHFNRSRXLTDH-OFQRWUPVSA-N 2 0 271.408 2.829 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404424572 413201634 /nfs/dbraw/zinc/20/16/34/413201634.db2.gz KUHZOWNXMHELBZ-WMLDXEAASA-N 2 0 276.424 2.782 20 0 CFADRP COc1ccccc1OCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404383347 413203315 /nfs/dbraw/zinc/20/33/15/413203315.db2.gz NKGFULYAALVKPK-LSDHHAIUSA-N 2 0 292.423 2.523 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000356127387 155169284 /nfs/dbraw/zinc/16/92/84/155169284.db2.gz OHXUJRVXCVVJLK-NVXWUHKLSA-N 2 0 294.483 2.757 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404920983 413218021 /nfs/dbraw/zinc/21/80/21/413218021.db2.gz YBYZYXBMWUGKHR-GJZGRUSLSA-N 2 0 258.409 2.648 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCCF)CC2)C1 ZINC000663463068 413219565 /nfs/dbraw/zinc/21/95/65/413219565.db2.gz VZNNKUDAPWUIMJ-GOEBONIOSA-N 2 0 286.435 2.605 20 0 CFADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404987527 413220128 /nfs/dbraw/zinc/22/01/28/413220128.db2.gz FHHRELOVHYAZGC-LSDHHAIUSA-N 2 0 258.409 2.648 20 0 CFADRP c1cc(N2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc[nH+]1 ZINC000459774938 296604820 /nfs/dbraw/zinc/60/48/20/296604820.db2.gz UTGOMXKTZJFUAZ-XKQJLSEDSA-N 2 0 271.408 2.829 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466126 413223896 /nfs/dbraw/zinc/22/38/96/413223896.db2.gz OJDIEZXRRZAMLU-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP C(C1CCCC1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783988 413224659 /nfs/dbraw/zinc/22/46/59/413224659.db2.gz XBGUIEKOAPBOPJ-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP CC1(C)CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466813 413226097 /nfs/dbraw/zinc/22/60/97/413226097.db2.gz XRMJRCHAOVNEOQ-AWEZNQCLSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000663467548 413226422 /nfs/dbraw/zinc/22/64/22/413226422.db2.gz GPIPKEPWMCUZAZ-GDBMZVCRSA-N 2 0 250.430 2.887 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)[C@@H](C)C1 ZINC000453291360 286058951 /nfs/dbraw/zinc/05/89/51/286058951.db2.gz PMZLCCFHUWSMSJ-OFQRWUPVSA-N 2 0 268.445 2.512 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)C1 ZINC000165476851 286059464 /nfs/dbraw/zinc/05/94/64/286059464.db2.gz BFHAUNZMZVIXRH-CHWSQXEVSA-N 2 0 296.377 2.665 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423120237 292193742 /nfs/dbraw/zinc/19/37/42/292193742.db2.gz GLXWIMBDTYAKKN-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467980 413228576 /nfs/dbraw/zinc/22/85/76/413228576.db2.gz JNLBUUDDZYWGLL-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP Clc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000656786859 413229957 /nfs/dbraw/zinc/22/99/57/413229957.db2.gz BRIIRBXMSIXEEA-CYBMUJFWSA-N 2 0 293.842 2.508 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656788854 413233963 /nfs/dbraw/zinc/23/39/63/413233963.db2.gz DXUQPBMVEGMSME-DOTOQJQBSA-N 2 0 287.451 2.683 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC[NH2+]1 ZINC000656790805 413235456 /nfs/dbraw/zinc/23/54/56/413235456.db2.gz BBLABDKDKMDZGZ-NCOADZHNSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH3+])CCCC2)C1 ZINC000656788857 413236653 /nfs/dbraw/zinc/23/66/53/413236653.db2.gz DXUQPBMVEGMSME-WBVHZDCISA-N 2 0 287.451 2.683 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OC ZINC000356347864 155234968 /nfs/dbraw/zinc/23/49/68/155234968.db2.gz ZYWYRFUHYHSIHL-KLHDSHLOSA-N 2 0 268.445 2.702 20 0 CFADRP CCCOc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000663497599 413239700 /nfs/dbraw/zinc/23/97/00/413239700.db2.gz CPRHZKNGPHMOGI-OAHLLOKOSA-N 2 0 294.439 2.947 20 0 CFADRP CO[C@]1(C)C[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000420305840 286166858 /nfs/dbraw/zinc/16/68/58/286166858.db2.gz QBWVAPDNSPVOKL-OFQRWUPVSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000663499268 413243823 /nfs/dbraw/zinc/24/38/23/413243823.db2.gz HUILGGHTJAEXOV-OAHLLOKOSA-N 2 0 276.424 2.863 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000663501509 413245070 /nfs/dbraw/zinc/24/50/70/413245070.db2.gz WYYZNVOIQQWGNK-PBHCIXSXSA-N 2 0 270.420 2.739 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC[NH2+]1 ZINC000663500310 413245479 /nfs/dbraw/zinc/24/54/79/413245479.db2.gz JQVPZYYNHMXYLI-RYRKJORJSA-N 2 0 287.451 2.585 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663501926 413245784 /nfs/dbraw/zinc/24/57/84/413245784.db2.gz ZORYPSOXHFYVAA-MKFDVMFOSA-N 2 0 270.420 2.838 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663501925 413246567 /nfs/dbraw/zinc/24/65/67/413246567.db2.gz ZORYPSOXHFYVAA-FZBQFSLMSA-N 2 0 270.420 2.838 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499009 413246644 /nfs/dbraw/zinc/24/66/44/413246644.db2.gz UKZBJGAZHSQTHJ-OOHWJJMZSA-N 2 0 258.409 2.597 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663502713 413248653 /nfs/dbraw/zinc/24/86/53/413248653.db2.gz KRXGQEYASZPZJH-DZGCQCFKSA-N 2 0 294.439 2.598 20 0 CFADRP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCOCC[NH3+])cc1 ZINC000357086393 292237569 /nfs/dbraw/zinc/23/75/69/292237569.db2.gz LTKYHYCADDSSQI-RDJZCZTQSA-N 2 0 276.424 2.743 20 0 CFADRP C[NH2+]C[C@H](C)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000663508800 413255020 /nfs/dbraw/zinc/25/50/20/413255020.db2.gz DUUFLMUKLRYQJV-ZDUSSCGKSA-N 2 0 295.858 2.502 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000453363814 292247658 /nfs/dbraw/zinc/24/76/58/292247658.db2.gz CAKUXFUAPFJJQD-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)CC[NH2+]CC1 ZINC000423413498 292249791 /nfs/dbraw/zinc/24/97/91/292249791.db2.gz ZEVYQUCOUVOEPV-CVEARBPZSA-N 2 0 282.472 2.807 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000423400641 292249053 /nfs/dbraw/zinc/24/90/53/292249053.db2.gz FVSSMCVEMSXAOH-OAGGEKHMSA-N 2 0 282.472 2.807 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423221399 286284079 /nfs/dbraw/zinc/28/40/79/286284079.db2.gz ZTJYDRRYHNGPEK-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCCCC2 ZINC000422922467 286289678 /nfs/dbraw/zinc/28/96/78/286289678.db2.gz SVWHQZXYYJXWMH-BZUAXINKSA-N 2 0 280.456 2.846 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834088 286292036 /nfs/dbraw/zinc/29/20/36/286292036.db2.gz HKBIZEHMNMDFIA-KBUPBQIOSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cn1 ZINC000356778777 155364922 /nfs/dbraw/zinc/36/49/22/155364922.db2.gz HUZXGXLOMRWVRZ-CQSZACIVSA-N 2 0 278.444 2.847 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000423252818 286355178 /nfs/dbraw/zinc/35/51/78/286355178.db2.gz UVBFWWVIHMIEOB-KGLIPLIRSA-N 2 0 262.397 2.654 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261770866 286378253 /nfs/dbraw/zinc/37/82/53/286378253.db2.gz MOOZYKQIJAJXJA-SJORKVTESA-N 2 0 274.408 2.832 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)C12CCCC2 ZINC000423186155 286384539 /nfs/dbraw/zinc/38/45/39/286384539.db2.gz WNCWXLILRYLXRS-LSDHHAIUSA-N 2 0 280.456 2.975 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C12CCCC2 ZINC000423463441 286388979 /nfs/dbraw/zinc/38/89/79/286388979.db2.gz FZXWZBADIYSKPT-LVQVYYBASA-N 2 0 280.456 2.831 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]C[C@@H]3CCOc4ccccc43)ccc12 ZINC000656985070 413284268 /nfs/dbraw/zinc/28/42/68/413284268.db2.gz WGOJGIHQEVXINC-HNNXBMFYSA-N 2 0 293.370 2.990 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422780556 286398172 /nfs/dbraw/zinc/39/81/72/286398172.db2.gz KHUXCNZZUVPXLF-JZAWBGDQSA-N 2 0 292.467 2.844 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C12CCCC2 ZINC000250510498 286401340 /nfs/dbraw/zinc/40/13/40/286401340.db2.gz NQKCSYVRZUDDKY-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000343090511 154110869 /nfs/dbraw/zinc/11/08/69/154110869.db2.gz FGVSKRHOAINXPD-DZGCQCFKSA-N 2 0 264.438 2.709 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000343270638 154162560 /nfs/dbraw/zinc/16/25/60/154162560.db2.gz FMLUJJWTZLDOER-HFTRVMKXSA-N 2 0 270.420 2.864 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000348016767 154288787 /nfs/dbraw/zinc/28/87/87/154288787.db2.gz NFKADSJKOQHKPW-MRXNPFEDSA-N 2 0 283.504 2.532 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348065246 154303698 /nfs/dbraw/zinc/30/36/98/154303698.db2.gz BNZWTHDFCKSUPA-ILXRZTDVSA-N 2 0 270.461 2.758 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000348069219 154305398 /nfs/dbraw/zinc/30/53/98/154305398.db2.gz FGTXICUWBDCLJY-CQSZACIVSA-N 2 0 268.470 2.736 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000348073103 154306758 /nfs/dbraw/zinc/30/67/58/154306758.db2.gz ZIGCJXGFPLPNEC-GDBMZVCRSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1cnc([C@H](C)[NH2+]CCCc2cnccc2C)o1 ZINC000348107413 154322562 /nfs/dbraw/zinc/32/25/62/154322562.db2.gz AEEZMVJSIIUOPF-ZDUSSCGKSA-N 2 0 259.353 2.970 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c(F)cn1 ZINC000348115604 154326437 /nfs/dbraw/zinc/32/64/37/154326437.db2.gz HZWYTZCLOMIPMF-LBPRGKRZSA-N 2 0 295.402 2.612 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCCC1 ZINC000422883410 292309032 /nfs/dbraw/zinc/30/90/32/292309032.db2.gz BYNDUEYMVAQDAZ-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000352612652 154626914 /nfs/dbraw/zinc/62/69/14/154626914.db2.gz QCWIJMYWEHNDNZ-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1C[C@H](Nc2nccc3c(N)cccc32)CC[N@@H+]1C ZINC000663661417 413304160 /nfs/dbraw/zinc/30/41/60/413304160.db2.gz PHPNIGMTQOXRBT-VXGBXAGGSA-N 2 0 270.380 2.712 20 0 CFADRP C[C@H](c1ccccn1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000355746738 155075277 /nfs/dbraw/zinc/07/52/77/155075277.db2.gz RQMDTHUGDAVUCB-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000355750229 155076571 /nfs/dbraw/zinc/07/65/71/155076571.db2.gz LLUPXGIFSRBANE-AWEZNQCLSA-N 2 0 296.842 2.992 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C12CCCC2 ZINC000085680941 286491749 /nfs/dbraw/zinc/49/17/49/286491749.db2.gz JKQCQLXYWIJURK-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)c1[nH+]ccc2[nH]ccc21 ZINC000663667904 413308733 /nfs/dbraw/zinc/30/87/33/413308733.db2.gz IQYBDXIXHNZQRQ-CYBMUJFWSA-N 2 0 272.396 2.874 20 0 CFADRP COc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1C ZINC000359195432 156020682 /nfs/dbraw/zinc/02/06/82/156020682.db2.gz SRGWOJXWHFNADX-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)[nH]n1 ZINC000360201217 156051119 /nfs/dbraw/zinc/05/11/19/156051119.db2.gz XXWOFIWZZFQVAK-MRXNPFEDSA-N 2 0 290.455 2.772 20 0 CFADRP C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1cncc(F)c1 ZINC000361129161 156067815 /nfs/dbraw/zinc/06/78/15/156067815.db2.gz DHAHSUNZUIHPED-WFASDCNBSA-N 2 0 265.376 2.746 20 0 CFADRP CC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000362775850 156084540 /nfs/dbraw/zinc/08/45/40/156084540.db2.gz RRKAELVTDAFZJJ-QZTJIDSGSA-N 2 0 290.451 2.744 20 0 CFADRP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363812349 156194715 /nfs/dbraw/zinc/19/47/15/156194715.db2.gz DAQNJYWJABTXTR-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000364783109 156224287 /nfs/dbraw/zinc/22/42/87/156224287.db2.gz BVQPIVRJBACIBS-SJORKVTESA-N 2 0 280.456 2.752 20 0 CFADRP C(C[NH+]1CC[C@@H](C2CC2)C1)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000367044837 156270108 /nfs/dbraw/zinc/27/01/08/156270108.db2.gz HXAJUQHMRPZTFX-IAGOWNOFSA-N 2 0 262.441 2.840 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C/C=C/Cl)CC2)C1CC1 ZINC000367310403 156311640 /nfs/dbraw/zinc/31/16/40/156311640.db2.gz RAVILCJTXLVQEK-VRMVNXKISA-N 2 0 268.832 2.935 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000367322541 156313669 /nfs/dbraw/zinc/31/36/69/156313669.db2.gz SUNHBBSKDHCPHR-QZTJIDSGSA-N 2 0 288.435 2.981 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@H]2CCC[C@@H]21 ZINC000367598073 156357089 /nfs/dbraw/zinc/35/70/89/156357089.db2.gz UVXHKKLBHNTYNO-RDBSUJKOSA-N 2 0 279.815 2.697 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]2CCC[C@@H]21 ZINC000367602667 156359926 /nfs/dbraw/zinc/35/99/26/156359926.db2.gz VHTYFFPFDXLNOL-JYJNAYRXSA-N 2 0 262.372 2.788 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000367619598 156363621 /nfs/dbraw/zinc/36/36/21/156363621.db2.gz XABXWSLXIIQPNC-IRKLFDGPSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000367618746 156364128 /nfs/dbraw/zinc/36/41/28/156364128.db2.gz UIVSYYNIJVUUGB-KCXAZCMYSA-N 2 0 280.362 2.927 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CCC2)CC[N@@H+]1C ZINC000367711475 156379770 /nfs/dbraw/zinc/37/97/70/156379770.db2.gz CRGWESULKFOWRI-GJZGRUSLSA-N 2 0 273.424 2.576 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+]([C@@H]2CCOC2)CC1 ZINC000374256613 157089329 /nfs/dbraw/zinc/08/93/29/157089329.db2.gz ACFXXDZMDQDGRX-ZWKOTPCHSA-N 2 0 288.435 2.762 20 0 CFADRP CC(C)c1nccn1[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000374273249 157090352 /nfs/dbraw/zinc/09/03/52/157090352.db2.gz SHJNNDMKFOAZSZ-INIZCTEOSA-N 2 0 289.423 2.990 20 0 CFADRP CC(C)c1nccn1[C@H]1CCCN(Cc2cncnc2)C1 ZINC000374274332 157091552 /nfs/dbraw/zinc/09/15/52/157091552.db2.gz YILSUWCSSGHBCA-HNNXBMFYSA-N 2 0 285.395 2.634 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC3CCOCC3)CC[C@H]21 ZINC000375067778 157190976 /nfs/dbraw/zinc/19/09/76/157190976.db2.gz DQIOQGXDRYUGML-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375789989 157284124 /nfs/dbraw/zinc/28/41/24/157284124.db2.gz VNFFKGDISSZMJZ-BRWVUGGUSA-N 2 0 288.435 2.966 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375789999 157284935 /nfs/dbraw/zinc/28/49/35/157284935.db2.gz VNFFKGDISSZMJZ-ZACQAIPSSA-N 2 0 288.435 2.966 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000375854487 157297266 /nfs/dbraw/zinc/29/72/66/157297266.db2.gz USOXSHHZZYCXEK-KFWWJZLASA-N 2 0 293.480 2.765 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC000375901928 157303361 /nfs/dbraw/zinc/30/33/61/157303361.db2.gz DFTONKIOVPCXAE-GOSISDBHSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1nccn1CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376510819 157366781 /nfs/dbraw/zinc/36/67/81/157366781.db2.gz HLQAYBAZNJUGJN-CZUORRHYSA-N 2 0 270.380 2.670 20 0 CFADRP CC[NH+](CC)CCN1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000376508151 157366970 /nfs/dbraw/zinc/36/69/70/157366970.db2.gz ZNAWWYMDUUHAPR-MRXNPFEDSA-N 2 0 293.499 2.525 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000651225630 413360128 /nfs/dbraw/zinc/36/01/28/413360128.db2.gz ZADLMAPXPODOIT-OAHLLOKOSA-N 2 0 272.436 2.865 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000235069222 286657626 /nfs/dbraw/zinc/65/76/26/286657626.db2.gz KJEIDKXIVFPQPA-QWHCGFSZSA-N 2 0 256.459 2.782 20 0 CFADRP CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)c(C)c1 ZINC000657292335 413405127 /nfs/dbraw/zinc/40/51/27/413405127.db2.gz IFGATRRFFCMBCG-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422796217 533677674 /nfs/dbraw/zinc/67/76/74/533677674.db2.gz XUNDJTJSFJONRG-CPUCHLNUSA-N 2 0 292.423 2.570 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415010543 298378691 /nfs/dbraw/zinc/37/86/91/298378691.db2.gz VEWBUAOXBAMKSY-GMTAPVOTSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423037430 298391813 /nfs/dbraw/zinc/39/18/13/298391813.db2.gz BPXOMAFSVMEUNZ-OWCLPIDISA-N 3 0 281.488 2.747 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000657307253 413426101 /nfs/dbraw/zinc/42/61/01/413426101.db2.gz DSRDAEGNPVMJIO-MSOLQXFVSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000422780168 298399454 /nfs/dbraw/zinc/39/94/54/298399454.db2.gz JBJXQZPNVZQCTM-KCXAZCMYSA-N 2 0 280.387 2.763 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000423462890 298399609 /nfs/dbraw/zinc/39/96/09/298399609.db2.gz UTMQJSMGKSNOHS-SFYZADRCSA-N 2 0 292.246 2.684 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660615289 413434789 /nfs/dbraw/zinc/43/47/89/413434789.db2.gz FFXJCTSYOUAIFP-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000657310885 413433603 /nfs/dbraw/zinc/43/36/03/413433603.db2.gz QULVCSMMOSMRIX-KZNAEPCWSA-N 2 0 295.515 2.961 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)c(C)c1 ZINC000657316132 413435382 /nfs/dbraw/zinc/43/53/82/413435382.db2.gz ZBOASYDEURPXCU-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000343523362 161790855 /nfs/dbraw/zinc/79/08/55/161790855.db2.gz FWTRZVWOTYKINF-OAHLLOKOSA-N 2 0 292.398 2.753 20 0 CFADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc2cccnc12 ZINC000344359316 162022363 /nfs/dbraw/zinc/02/23/63/162022363.db2.gz PENGQVMNIQQWTD-UHFFFAOYSA-N 2 0 281.403 2.895 20 0 CFADRP CC(C)c1ncc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000344686433 162098106 /nfs/dbraw/zinc/09/81/06/162098106.db2.gz RQFARVHFNCFQSG-NWDGAFQWSA-N 2 0 267.442 2.839 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000344980976 162157715 /nfs/dbraw/zinc/15/77/15/162157715.db2.gz YKKYLPYSPVXRPV-HZPDHXFCSA-N 2 0 294.464 2.611 20 0 CFADRP CC[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000345185643 162196612 /nfs/dbraw/zinc/19/66/12/162196612.db2.gz DJADODQHAYPWGK-HNNXBMFYSA-N 2 0 250.361 2.790 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000345867853 162267379 /nfs/dbraw/zinc/26/73/79/162267379.db2.gz VPOUDBQBXZCJRG-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000346187948 162344619 /nfs/dbraw/zinc/34/46/19/162344619.db2.gz BWYDIEYTLNILGO-OAHLLOKOSA-N 2 0 282.391 2.808 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1F ZINC000346326245 162382239 /nfs/dbraw/zinc/38/22/39/162382239.db2.gz KFSNIEXLIGRDBB-STQMWFEESA-N 2 0 298.352 2.863 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000347012406 162583275 /nfs/dbraw/zinc/58/32/75/162583275.db2.gz HODXRWWQICHCKE-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422768037 533677952 /nfs/dbraw/zinc/67/79/52/533677952.db2.gz SXENONRWMYHIDN-OAGGEKHMSA-N 2 0 281.488 2.604 20 0 CFADRP COC1CC([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347201560 162624889 /nfs/dbraw/zinc/62/48/89/162624889.db2.gz KHOZKNMLMDWJJP-PJPHBNEVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000657325571 413448971 /nfs/dbraw/zinc/44/89/71/413448971.db2.gz KAMYNGKBCGGPNC-BRWVUGGUSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000350145255 163062431 /nfs/dbraw/zinc/06/24/31/163062431.db2.gz WGDZHQJZWBZNFS-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000350867338 163111504 /nfs/dbraw/zinc/11/15/04/163111504.db2.gz FWUGVPRRCNTSAG-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000351220106 163122457 /nfs/dbraw/zinc/12/24/57/163122457.db2.gz DECVDJVNKLJDLQ-UONOGXRCSA-N 2 0 256.459 2.688 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)CN(C)C1CC1 ZINC000351444765 163128712 /nfs/dbraw/zinc/12/87/12/163128712.db2.gz PNTHBMBFCWXBDL-GOSISDBHSA-N 2 0 290.451 2.600 20 0 CFADRP CCc1nocc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000351662481 163170677 /nfs/dbraw/zinc/17/06/77/163170677.db2.gz YPCLFZGRXRCPOB-AWEZNQCLSA-N 2 0 277.412 2.545 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000352693444 163223668 /nfs/dbraw/zinc/22/36/68/163223668.db2.gz LEJCAQHNZPKGNQ-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352798609 163236368 /nfs/dbraw/zinc/23/63/68/163236368.db2.gz VESINCOVGDLVCY-LQULJDIASA-N 2 0 268.445 2.795 20 0 CFADRP CCCN(CCC[NH+]1CCCCC1)CC[NH+]1CCCC1 ZINC000352881073 163259815 /nfs/dbraw/zinc/25/98/15/163259815.db2.gz CVHWCXXFDQTRAF-UHFFFAOYSA-N 2 0 281.488 2.670 20 0 CFADRP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000352927966 163272251 /nfs/dbraw/zinc/27/22/51/163272251.db2.gz BKIMLNSMMCTCIY-DOTOQJQBSA-N 2 0 258.409 2.829 20 0 CFADRP CCC[NH+](CCC)CCCNc1ccnc(C2CC2)n1 ZINC000352939475 163273817 /nfs/dbraw/zinc/27/38/17/163273817.db2.gz KLCMOJYPXBVJLU-UHFFFAOYSA-N 2 0 276.428 2.700 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(Cl)o2)CC[NH+](C)CC1 ZINC000353219931 163319393 /nfs/dbraw/zinc/31/93/93/163319393.db2.gz MYZOWRMMQYCROJ-UHFFFAOYSA-N 2 0 288.844 2.850 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC000353237365 163323573 /nfs/dbraw/zinc/32/35/73/163323573.db2.gz VLPPFEZTOLTBEU-HDICACEKSA-N 2 0 270.420 2.948 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[NH+](C)C ZINC000353448028 163367995 /nfs/dbraw/zinc/36/79/95/163367995.db2.gz NKOBLUUGRNJGAZ-GFCCVEGCSA-N 2 0 270.367 2.827 20 0 CFADRP COCc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000353446775 163368119 /nfs/dbraw/zinc/36/81/19/163368119.db2.gz KVJYRBQUKBTIRQ-UHFFFAOYSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(O)CC1 ZINC000353458348 163369529 /nfs/dbraw/zinc/36/95/29/163369529.db2.gz BZMYRZVPUBUEOF-QQFBHYJXSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(O)c1 ZINC000353519511 163385734 /nfs/dbraw/zinc/38/57/34/163385734.db2.gz MPZYJPDUIAVNHG-GRTSSRMGSA-N 2 0 262.397 2.916 20 0 CFADRP CCOC1CC(C[N@H+](C)CCCN(C)Cc2ccco2)C1 ZINC000353541041 163388881 /nfs/dbraw/zinc/38/88/81/163388881.db2.gz GLYJOEOAXHZUMB-UHFFFAOYSA-N 2 0 294.439 2.848 20 0 CFADRP CN(CCC[N@H+](C)CCCCF)Cc1ccco1 ZINC000353541470 163389449 /nfs/dbraw/zinc/38/94/49/163389449.db2.gz IDDMTFAYKYHAEM-UHFFFAOYSA-N 2 0 256.365 2.783 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCOCC1 ZINC000355061315 287017301 /nfs/dbraw/zinc/01/73/01/287017301.db2.gz JEESRYNEMFFPDU-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCCCCC2)CC1 ZINC000653727545 413466596 /nfs/dbraw/zinc/46/65/96/413466596.db2.gz CSCRJWQAHCAAHP-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1(C)CC1 ZINC000247008205 287022951 /nfs/dbraw/zinc/02/29/51/287022951.db2.gz MBMKIAQCCUMGKW-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CCOC1 ZINC000120764194 287023316 /nfs/dbraw/zinc/02/33/16/287023316.db2.gz HKVUMLQLLSZWMG-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CCOC1 ZINC000120763866 287023490 /nfs/dbraw/zinc/02/34/90/287023490.db2.gz HKVUMLQLLSZWMG-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000247187233 287023525 /nfs/dbraw/zinc/02/35/25/287023525.db2.gz VPMBEENAXNMOQZ-OWCLPIDISA-N 2 0 292.471 2.829 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423153743 287028613 /nfs/dbraw/zinc/02/86/13/287028613.db2.gz GVLZNQDJQJEDOC-DUQPFJRNSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235911 287072106 /nfs/dbraw/zinc/07/21/06/287072106.db2.gz WHWVVIDLXUUHLO-NYTXWWLZSA-N 2 0 282.497 2.981 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336677703 297188022 /nfs/dbraw/zinc/18/80/22/297188022.db2.gz AAEWGLPGNONKFK-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657345022 413476075 /nfs/dbraw/zinc/47/60/75/413476075.db2.gz HIPJHZJPEKMRNL-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657353907 413485409 /nfs/dbraw/zinc/48/54/09/413485409.db2.gz KZUDYYBGBXRHIM-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000653766618 413490862 /nfs/dbraw/zinc/49/08/62/413490862.db2.gz MBMQMKRJEZCQAK-HNNXBMFYSA-N 2 0 279.453 2.570 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000651492020 413504196 /nfs/dbraw/zinc/50/41/96/413504196.db2.gz YRGBZKMVUHOITB-NSHDSACASA-N 2 0 267.442 2.977 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CCCC(C)(C)C)CC1 ZINC000660697761 413504213 /nfs/dbraw/zinc/50/42/13/413504213.db2.gz KPTHMDRYWDYGCY-UHFFFAOYSA-N 2 0 284.488 2.885 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](OC2CCC2)C1 ZINC000653814621 413518868 /nfs/dbraw/zinc/51/88/68/413518868.db2.gz QEMJQLOLUXOWQP-DOTOQJQBSA-N 2 0 280.456 2.894 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000657377113 413520296 /nfs/dbraw/zinc/52/02/96/413520296.db2.gz YQDMQTXBNUTNSR-GDBMZVCRSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651674945 413560296 /nfs/dbraw/zinc/56/02/96/413560296.db2.gz GBRXBZNFIMKTNN-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676864 413560418 /nfs/dbraw/zinc/56/04/18/413560418.db2.gz QFQDVYORDDWTGU-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000651682396 413566574 /nfs/dbraw/zinc/56/65/74/413566574.db2.gz YCWQQQGZRZTAQU-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CCC[NH+]1CCCC1 ZINC000035451609 172204996 /nfs/dbraw/zinc/20/49/96/172204996.db2.gz KDLOURUXBQQNSX-CQSZACIVSA-N 2 0 250.386 2.676 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)CC(C)(C)C)C1 ZINC000651685774 413569380 /nfs/dbraw/zinc/56/93/80/413569380.db2.gz DIKLSLWSAYFIDB-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CO1 ZINC000657412988 413569430 /nfs/dbraw/zinc/56/94/30/413569430.db2.gz FWQSQFJBMLKWGR-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)CC(C)(C)C)C1 ZINC000651685773 413571465 /nfs/dbraw/zinc/57/14/65/413571465.db2.gz DIKLSLWSAYFIDB-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705795 413582006 /nfs/dbraw/zinc/58/20/06/413582006.db2.gz GOKBIXPHXNOUCZ-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP CC1(C)CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657423877 413586751 /nfs/dbraw/zinc/58/67/51/413586751.db2.gz OHWCLOCUQYMYDP-CYBMUJFWSA-N 2 0 270.380 2.936 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000651713885 413587464 /nfs/dbraw/zinc/58/74/64/413587464.db2.gz IPDOZZMZCNTORJ-BRWVUGGUSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000651733864 413597901 /nfs/dbraw/zinc/59/79/01/413597901.db2.gz VHLZCFUQJPTBEZ-UBDQQSCGSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000651733705 413598282 /nfs/dbraw/zinc/59/82/82/413598282.db2.gz QOGCCONZSLTKDM-XLAORIBOSA-N 2 0 294.483 2.923 20 0 CFADRP FC(F)(F)C1CC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657466561 413642793 /nfs/dbraw/zinc/64/27/93/413642793.db2.gz IWGHQEIUYPCQMC-UHFFFAOYSA-N 2 0 296.296 2.698 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NCc1nccn1C(C)C ZINC000657470389 413644215 /nfs/dbraw/zinc/64/42/15/413644215.db2.gz GSIKUADLRAEYQG-CQSZACIVSA-N 2 0 266.433 2.674 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794365 413645265 /nfs/dbraw/zinc/64/52/65/413645265.db2.gz WFCHHEXMRNFLJT-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NCc1nccn1C(C)C ZINC000657471092 413651144 /nfs/dbraw/zinc/65/11/44/413651144.db2.gz YRNUUFQQHZIWAS-CQSZACIVSA-N 2 0 266.433 2.674 20 0 CFADRP Cc1cc(NCC[C@H](C)[NH+](C)C)c2ccccc2[nH+]1 ZINC000664244640 413651688 /nfs/dbraw/zinc/65/16/88/413651688.db2.gz SWUQIDYYMKLAEB-ZDUSSCGKSA-N 2 0 257.381 2.717 20 0 CFADRP Cc1cc(NCC[C@@H](C)[NH+](C)C)c2ccccc2[nH+]1 ZINC000664244639 413652002 /nfs/dbraw/zinc/65/20/02/413652002.db2.gz SWUQIDYYMKLAEB-CYBMUJFWSA-N 2 0 257.381 2.717 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657482731 413667387 /nfs/dbraw/zinc/66/73/87/413667387.db2.gz GHNGPJHSRLMZQV-BBRMVZONSA-N 2 0 270.380 2.649 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccnn1CC1CC1 ZINC000657482203 413669238 /nfs/dbraw/zinc/66/92/38/413669238.db2.gz SRHSNIQNYFBXRG-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651750364 413613149 /nfs/dbraw/zinc/61/31/49/413613149.db2.gz FKLCOVXNMUFIIQ-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651833692 413678866 /nfs/dbraw/zinc/67/88/66/413678866.db2.gz LIWJOJUPZCHLIL-UHFFFAOYSA-N 2 0 273.380 2.790 20 0 CFADRP COC1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000651865997 413685385 /nfs/dbraw/zinc/68/53/85/413685385.db2.gz PSPCGRXYUONRLN-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccoc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535590 413717923 /nfs/dbraw/zinc/71/79/23/413717923.db2.gz PNOCMZUUTQSLMP-UHFFFAOYSA-N 2 0 292.423 2.569 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661161938 413793868 /nfs/dbraw/zinc/79/38/68/413793868.db2.gz BUVPBVNBZGLWST-OAHLLOKOSA-N 2 0 262.397 2.943 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657617630 413795384 /nfs/dbraw/zinc/79/53/84/413795384.db2.gz XDBCUXPKWPOMAI-AAJLLMFJSA-N 2 0 270.420 2.931 20 0 CFADRP CC[C@@H](C)[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000661103262 413753386 /nfs/dbraw/zinc/75/33/86/413753386.db2.gz FPEXMFLUZFEZOD-MRXNPFEDSA-N 2 0 269.477 2.523 20 0 CFADRP c1ccc(O[C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657647591 413819007 /nfs/dbraw/zinc/81/90/07/413819007.db2.gz MINWRBWUTILVFZ-CUSZFKRNSA-N 2 0 286.419 2.813 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000657662155 413831630 /nfs/dbraw/zinc/83/16/30/413831630.db2.gz UQUVVVQANDDSIK-DLBZAZTESA-N 2 0 297.446 2.937 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC000652222867 413834408 /nfs/dbraw/zinc/83/44/08/413834408.db2.gz ZKBRGTVVYJUDLG-HNNXBMFYSA-N 2 0 293.455 2.589 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)CCCC1 ZINC000652221953 413836537 /nfs/dbraw/zinc/83/65/37/413836537.db2.gz APXLLLASUVBAMP-HNNXBMFYSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000652222047 413837173 /nfs/dbraw/zinc/83/71/73/413837173.db2.gz DHJZBGUGIDCOIG-XHSDSOJGSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657670080 413844985 /nfs/dbraw/zinc/84/49/85/413844985.db2.gz JQYBREIRSBEGHK-XQQFMLRXSA-N 2 0 258.356 2.638 20 0 CFADRP CC[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000657679796 413847831 /nfs/dbraw/zinc/84/78/31/413847831.db2.gz FNJNVQXYXFWAQR-MRXNPFEDSA-N 2 0 270.380 2.854 20 0 CFADRP C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000652246752 413848400 /nfs/dbraw/zinc/84/84/00/413848400.db2.gz YIHYAOVBUHECDW-SUMWQHHRSA-N 2 0 280.456 2.512 20 0 CFADRP Clc1cnccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664679516 413897729 /nfs/dbraw/zinc/89/77/29/413897729.db2.gz SABFHRHJDVRKFU-CYBMUJFWSA-N 2 0 279.815 2.691 20 0 CFADRP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355177 413904229 /nfs/dbraw/zinc/90/42/29/413904229.db2.gz QQYIKZXPPLQLMC-DYVFJYSZSA-N 2 0 289.423 2.594 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1=CCCC1 ZINC000657749947 413904666 /nfs/dbraw/zinc/90/46/66/413904666.db2.gz VDANADMNOGYTHY-UHFFFAOYSA-N 2 0 268.364 2.776 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000652358490 413904763 /nfs/dbraw/zinc/90/47/63/413904763.db2.gz KKZNIFAPPBJDLR-HNNXBMFYSA-N 2 0 264.388 2.832 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@H]3CCCSCC3)CC2)C1 ZINC000657857754 414010768 /nfs/dbraw/zinc/01/07/68/414010768.db2.gz WEMBWYQJWAFDSU-ZDUSSCGKSA-N 2 0 268.470 2.879 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657871982 414017568 /nfs/dbraw/zinc/01/75/68/414017568.db2.gz LUBKANQKXSKHLS-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP COc1ccsc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812873 413961905 /nfs/dbraw/zinc/96/19/05/413961905.db2.gz JCGSDXXGDGJIGV-UHFFFAOYSA-N 2 0 294.464 2.968 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813239 413962127 /nfs/dbraw/zinc/96/21/27/413962127.db2.gz LGVAEVVVKNVYLQ-QZTJIDSGSA-N 2 0 294.483 2.902 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657823602 413973018 /nfs/dbraw/zinc/97/30/18/413973018.db2.gz ICSGAVIXXHPUJF-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cnccc2o1 ZINC000657834527 413987548 /nfs/dbraw/zinc/98/75/48/413987548.db2.gz KUKVSCPBYBWBOQ-QWHCGFSZSA-N 2 0 285.391 2.963 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657845333 413995655 /nfs/dbraw/zinc/99/56/55/413995655.db2.gz VPLOADKZQSJPSX-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)C[NH+]1CCCCC1 ZINC000657841811 413996876 /nfs/dbraw/zinc/99/68/76/413996876.db2.gz GQXLEYYRGWWSLL-ZDUSSCGKSA-N 2 0 274.399 2.786 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657902993 414042066 /nfs/dbraw/zinc/04/20/66/414042066.db2.gz QMDIOOYGGIMHSN-VXGBXAGGSA-N 2 0 280.403 2.613 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000037221923 173041355 /nfs/dbraw/zinc/04/13/55/173041355.db2.gz UJHYDZQXTLUBHG-LBPRGKRZSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2occc21)C1CC[NH+](C)CC1 ZINC000037221759 173041527 /nfs/dbraw/zinc/04/15/27/173041527.db2.gz DOCMZUUXSYFAMD-SWLSCSKDSA-N 2 0 262.397 2.977 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2occc21)C1CC[NH+](C)CC1 ZINC000037221761 173042329 /nfs/dbraw/zinc/04/23/29/173042329.db2.gz DOCMZUUXSYFAMD-WFASDCNBSA-N 2 0 262.397 2.977 20 0 CFADRP C[C@@H]([NH2+]CCc1noc2ccccc21)C1CC[NH+](C)CC1 ZINC000658065402 414148372 /nfs/dbraw/zinc/14/83/72/414148372.db2.gz AVCOHWZYRVQLAG-CYBMUJFWSA-N 2 0 287.407 2.690 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCC1 ZINC000658069659 414153047 /nfs/dbraw/zinc/15/30/47/414153047.db2.gz QAFGEHRKJFIDAE-AWEZNQCLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C(F)F ZINC000657992173 414093613 /nfs/dbraw/zinc/09/36/13/414093613.db2.gz CTKWISJJMDSOPH-OLZOCXBDSA-N 2 0 292.414 2.757 20 0 CFADRP FCC1(CF)CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000657994315 414095252 /nfs/dbraw/zinc/09/52/52/414095252.db2.gz SCCCUAWKXNHDBJ-UHFFFAOYSA-N 2 0 272.383 2.538 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263152 414222957 /nfs/dbraw/zinc/22/29/57/414222957.db2.gz GUYZGPGQKZSABJ-LAVFITLUSA-N 2 0 288.435 2.537 20 0 CFADRP CC1(C)CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658138027 414226403 /nfs/dbraw/zinc/22/64/03/414226403.db2.gz LXDKMNOIGGCIAJ-QGZVFWFLSA-N 2 0 288.435 2.531 20 0 CFADRP CCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139125 414227226 /nfs/dbraw/zinc/22/72/26/414227226.db2.gz LDGHNGQDGAWHQA-PBHICJAKSA-N 2 0 276.424 2.531 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C/C=C/CO)CC1 ZINC000658141084 414234491 /nfs/dbraw/zinc/23/44/91/414234491.db2.gz WEPCBNVDFKXUMO-VOTSOKGWSA-N 2 0 282.472 2.804 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658091293 414183232 /nfs/dbraw/zinc/18/32/32/414183232.db2.gz RBRLKNJKQVIMEQ-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658090485 414184575 /nfs/dbraw/zinc/18/45/75/414184575.db2.gz KNWOAXVJJLZRDU-BBRMVZONSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000658092462 414189958 /nfs/dbraw/zinc/18/99/58/414189958.db2.gz ZXZDJQVUGPPYHZ-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000665232065 414191788 /nfs/dbraw/zinc/19/17/88/414191788.db2.gz FENDRGROPKKIBY-QWHCGFSZSA-N 2 0 284.407 2.698 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000665236070 414191979 /nfs/dbraw/zinc/19/19/79/414191979.db2.gz GRCJTKNJYMTNBL-YLFCFFPRSA-N 2 0 293.499 2.760 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665236032 414191997 /nfs/dbraw/zinc/19/19/97/414191997.db2.gz FVEBUICWHYTOKR-XYPHTWIQSA-N 2 0 274.408 2.926 20 0 CFADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665235433 414192080 /nfs/dbraw/zinc/19/20/80/414192080.db2.gz VXGSDDXOLMGLFL-XJKCOSOUSA-N 2 0 264.388 2.795 20 0 CFADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000665234917 414192726 /nfs/dbraw/zinc/19/27/26/414192726.db2.gz MGSMCKPDNYOMLQ-RCBQFDQVSA-N 2 0 264.388 2.877 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000665234431 414194054 /nfs/dbraw/zinc/19/40/54/414194054.db2.gz CQGUWRPXTFCLDG-TYNCELHUSA-N 2 0 252.377 2.862 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665235034 414194778 /nfs/dbraw/zinc/19/47/78/414194778.db2.gz OQWOLYHIDPCJJV-RCBQFDQVSA-N 2 0 264.388 2.925 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)noc2c1 ZINC000665232157 414194954 /nfs/dbraw/zinc/19/49/54/414194954.db2.gz HGVPMLQBLMMPGM-BMFZPTHFSA-N 2 0 299.418 2.881 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000665246754 414206601 /nfs/dbraw/zinc/20/66/01/414206601.db2.gz MVPJVPKZAGRNLB-SJORKVTESA-N 2 0 260.425 2.953 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCCC1)CCC2 ZINC000665249809 414209647 /nfs/dbraw/zinc/20/96/47/414209647.db2.gz ZSGXEPFJHRRURB-INIZCTEOSA-N 2 0 274.408 2.934 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000665280212 414242405 /nfs/dbraw/zinc/24/24/05/414242405.db2.gz WCRCFFXWIQVSIZ-GXTWGEPZSA-N 2 0 280.412 2.728 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000665281226 414245059 /nfs/dbraw/zinc/24/50/59/414245059.db2.gz XUOOCNDGWQPJGI-CVEARBPZSA-N 2 0 278.465 2.980 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282144 414246890 /nfs/dbraw/zinc/24/68/90/414246890.db2.gz RMICYQOXIBUXLO-ZIAGYGMSSA-N 2 0 280.387 2.785 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000665282796 414247654 /nfs/dbraw/zinc/24/76/54/414247654.db2.gz BZBYRJMJFBDVPH-NUEKZKHPSA-N 2 0 268.445 2.559 20 0 CFADRP CC1CC([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658164986 414253234 /nfs/dbraw/zinc/25/32/34/414253234.db2.gz GZPDNWICBQSDKS-UHFFFAOYSA-N 2 0 273.424 2.682 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283639 414254856 /nfs/dbraw/zinc/25/48/56/414254856.db2.gz RMAJTYWQCJZZBS-VDHUWJSZSA-N 2 0 294.483 2.950 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000658170660 414258452 /nfs/dbraw/zinc/25/84/52/414258452.db2.gz BWXBQZLKAPNKBN-HLLBOEOZSA-N 2 0 276.424 2.522 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000665300425 414272010 /nfs/dbraw/zinc/27/20/10/414272010.db2.gz BKQXQPHTMGQTCM-IJLUTSLNSA-N 2 0 278.362 2.943 20 0 CFADRP CC1(C)C[C@]1(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000665300980 414273444 /nfs/dbraw/zinc/27/34/44/414273444.db2.gz LKHTWMNLXGMCIT-VYDXJSESSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000665301261 414276613 /nfs/dbraw/zinc/27/66/13/414276613.db2.gz SHSOBFRPRGWSDJ-VHSXEESVSA-N 2 0 252.324 2.695 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000658209910 414284631 /nfs/dbraw/zinc/28/46/31/414284631.db2.gz KNIARRNFWCBCMT-XHSDSOJGSA-N 2 0 294.464 2.857 20 0 CFADRP O=C1CCCC12CC[NH+](CCCN1CCCCC1)CC2 ZINC000661956770 414310590 /nfs/dbraw/zinc/31/05/90/414310590.db2.gz AAHXQESMTYOYND-UHFFFAOYSA-N 2 0 278.440 2.698 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658282946 414341066 /nfs/dbraw/zinc/34/10/66/414341066.db2.gz JDUUTJQUKAHQRS-GFCCVEGCSA-N 2 0 260.372 2.742 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655680665 414354810 /nfs/dbraw/zinc/35/48/10/414354810.db2.gz QNXNOSYHGQBHSB-CABCVRRESA-N 2 0 278.444 2.818 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655690656 414366378 /nfs/dbraw/zinc/36/63/78/414366378.db2.gz HMIVPSNZZNMZSV-HZPDHXFCSA-N 2 0 290.455 2.962 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C1CCCC1 ZINC000658316446 414371125 /nfs/dbraw/zinc/37/11/25/414371125.db2.gz QFNSZHHQVUQTBD-YLFCFFPRSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@H](C)SC1)C[NH+]1CCCCC1 ZINC000655698151 414372792 /nfs/dbraw/zinc/37/27/92/414372792.db2.gz XWDSQZNVUASDOB-ILXRZTDVSA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000658328852 414379330 /nfs/dbraw/zinc/37/93/30/414379330.db2.gz HVKYAWVZFYTMJH-WMLDXEAASA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658330030 414379406 /nfs/dbraw/zinc/37/94/06/414379406.db2.gz BRLDYYDCGKXYDD-LLLHUVSDSA-N 2 0 280.456 2.797 20 0 CFADRP c1cn2c(n1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CCC2 ZINC000655712952 414383312 /nfs/dbraw/zinc/38/33/12/414383312.db2.gz WNSGWCGIPRYYDS-INIZCTEOSA-N 2 0 290.455 2.964 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000655760906 414417071 /nfs/dbraw/zinc/41/70/71/414417071.db2.gz AKUTZHMTZMSHTN-OCCSQVGLSA-N 2 0 268.470 2.735 20 0 CFADRP CC1(C)CCCC[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662149716 414435441 /nfs/dbraw/zinc/43/54/41/414435441.db2.gz QACAHIXVCPTHQM-NVXWUHKLSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805124 414449005 /nfs/dbraw/zinc/44/90/05/414449005.db2.gz CSGNHFAZQQLIOM-DUVNUKRYSA-N 2 0 264.388 2.687 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccncc1Cl ZINC000655803190 414449147 /nfs/dbraw/zinc/44/91/47/414449147.db2.gz MTMHUIKPUYTZRG-SDDRHHMPSA-N 2 0 267.804 2.726 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000655804355 414449349 /nfs/dbraw/zinc/44/93/49/414449349.db2.gz WGRVVFIAYSJOET-WLOAISHVSA-N 2 0 260.372 2.740 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000655804973 414449503 /nfs/dbraw/zinc/44/95/03/414449503.db2.gz HHGFQGUUFDRWMY-YUTCNCBUSA-N 2 0 265.376 2.602 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cnn1C(C)C ZINC000655803645 414449576 /nfs/dbraw/zinc/44/95/76/414449576.db2.gz BEUAJYVBAYJYMK-AEGPPILISA-N 2 0 278.444 2.763 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1F ZINC000655804923 414449635 /nfs/dbraw/zinc/44/96/35/414449635.db2.gz GFHZSAUDWVLUMO-SGMGOOAPSA-N 2 0 280.387 2.825 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000655804281 414449829 /nfs/dbraw/zinc/44/98/29/414449829.db2.gz ROQCTGSCRPWLSI-XGUBFFRZSA-N 2 0 282.472 2.898 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655805131 414449872 /nfs/dbraw/zinc/44/98/72/414449872.db2.gz CUYGFTPEDMJZHI-WQAKAFBOSA-N 2 0 267.442 2.751 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000655806968 414450938 /nfs/dbraw/zinc/45/09/38/414450938.db2.gz FOZQMKSSYRVPIG-SLEUVZQESA-N 2 0 250.361 2.817 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000655812290 414455325 /nfs/dbraw/zinc/45/53/25/414455325.db2.gz OCNMTERQBHOVSM-ZACQAIPSSA-N 2 0 288.435 2.966 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000655826668 414462846 /nfs/dbraw/zinc/46/28/46/414462846.db2.gz XDMHSZDPFNRSRA-XBXGTLAGSA-N 2 0 297.240 2.879 20 0 CFADRP C[N@H+](CCC[NH3+])CCSc1cccc(Cl)c1 ZINC000662244973 414473860 /nfs/dbraw/zinc/47/38/60/414473860.db2.gz KOOOHSYDEQWNGI-UHFFFAOYSA-N 2 0 258.818 2.713 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3CC2CC[NH2+]CC2)cc1 ZINC000662232118 414466882 /nfs/dbraw/zinc/46/68/82/414466882.db2.gz WBKIPSAKHGWYHZ-UHFFFAOYSA-N 2 0 256.393 2.607 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662243484 414471527 /nfs/dbraw/zinc/47/15/27/414471527.db2.gz CIPCHAMKYCWZLD-OLZOCXBDSA-N 2 0 289.448 2.898 20 0 CFADRP CCn1ccnc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353593 414397725 /nfs/dbraw/zinc/39/77/25/414397725.db2.gz PRCOJOCFAQBENA-CQSZACIVSA-N 2 0 290.455 2.676 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)nn1C ZINC000658353906 414398574 /nfs/dbraw/zinc/39/85/74/414398574.db2.gz TYCVGSIVERLYAJ-CQSZACIVSA-N 2 0 290.455 2.501 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358022 414402350 /nfs/dbraw/zinc/40/23/50/414402350.db2.gz XNQAVQQCGQWQKA-CYBMUJFWSA-N 2 0 290.455 2.501 20 0 CFADRP C([NH2+]C(C1CC1)C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC000658358002 414403631 /nfs/dbraw/zinc/40/36/31/414403631.db2.gz XDUKRDXMUQAKSE-UHFFFAOYSA-N 2 0 262.441 2.887 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c(C)c1 ZINC000662250614 414476113 /nfs/dbraw/zinc/47/61/13/414476113.db2.gz JIRJQVXORQSBKG-JKSUJKDBSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250788 414476777 /nfs/dbraw/zinc/47/67/77/414476777.db2.gz NVZHHGFWTRKBNZ-WFASDCNBSA-N 2 0 294.826 2.854 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000655849156 414477539 /nfs/dbraw/zinc/47/75/39/414477539.db2.gz PPRPSEXYEOZKLG-FZKCQIBNSA-N 2 0 266.429 2.551 20 0 CFADRP C([C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662254187 414479028 /nfs/dbraw/zinc/47/90/28/414479028.db2.gz NLGFDOBJOIRGTB-DLBZAZTESA-N 2 0 292.467 2.942 20 0 CFADRP CC(C)C[C@H]1CCCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256429 414479097 /nfs/dbraw/zinc/47/90/97/414479097.db2.gz LLQRYEVZFGHXMD-CVEARBPZSA-N 2 0 280.456 2.798 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662258000 414482747 /nfs/dbraw/zinc/48/27/47/414482747.db2.gz HIICQXCUTBFZDJ-SJORKVTESA-N 2 0 286.419 2.638 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259331 414482799 /nfs/dbraw/zinc/48/27/99/414482799.db2.gz VDFHREGRUZMWDJ-ZNMIVQPWSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662266529 414484423 /nfs/dbraw/zinc/48/44/23/414484423.db2.gz MWMXYOOGIVXMIC-CWRNSKLLSA-N 2 0 258.409 2.776 20 0 CFADRP c1ccc(COCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000662272227 414488641 /nfs/dbraw/zinc/48/86/41/414488641.db2.gz CTFUGJAMGVEEDB-GOSISDBHSA-N 2 0 288.435 2.525 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000662273499 414488800 /nfs/dbraw/zinc/48/88/00/414488800.db2.gz NPNOYZVGKADSJI-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662272007 414489157 /nfs/dbraw/zinc/48/91/57/414489157.db2.gz BCMLZNUJARAYMP-MSOLQXFVSA-N 2 0 288.435 2.525 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1CC[NH3+])C1CCCCC1 ZINC000662271855 414489594 /nfs/dbraw/zinc/48/95/94/414489594.db2.gz AQLGUKAWARYPOZ-JKSUJKDBSA-N 2 0 268.445 2.785 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000662274065 414490308 /nfs/dbraw/zinc/49/03/08/414490308.db2.gz SZDKQFBURQITAO-ZWKOTPCHSA-N 2 0 288.435 2.696 20 0 CFADRP CO[C@H](CN(CC[NH3+])CCc1ccccc1)C1CCCC1 ZINC000662274318 414490639 /nfs/dbraw/zinc/49/06/39/414490639.db2.gz UYNBPELOQVFGCR-GOSISDBHSA-N 2 0 290.451 2.695 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274719 414490906 /nfs/dbraw/zinc/49/09/06/414490906.db2.gz KVAVNFDRNROETJ-HZSPNIEDSA-N 2 0 274.399 2.989 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276030 414491274 /nfs/dbraw/zinc/49/12/74/414491274.db2.gz IPVYZWWOJCKIBU-NRKLIOEPSA-N 2 0 262.441 2.887 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662276224 414492372 /nfs/dbraw/zinc/49/23/72/414492372.db2.gz HKNXICULRGUENQ-TZMCWYRMSA-N 2 0 260.372 2.743 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662276221 414493407 /nfs/dbraw/zinc/49/34/07/414493407.db2.gz HKNXICULRGUENQ-GXTWGEPZSA-N 2 0 260.372 2.743 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662276222 414493426 /nfs/dbraw/zinc/49/34/26/414493426.db2.gz HKNXICULRGUENQ-JSGCOSHPSA-N 2 0 260.372 2.743 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281286 414494225 /nfs/dbraw/zinc/49/42/25/414494225.db2.gz MGCPFUUICPCIGR-CVEARBPZSA-N 2 0 266.429 2.561 20 0 CFADRP CO[C@@H](C[NH+]1CCC(CC[NH3+])CC1)C1CCCCC1 ZINC000662282546 414494998 /nfs/dbraw/zinc/49/49/98/414494998.db2.gz CBDRUSTXKYJAML-INIZCTEOSA-N 2 0 268.445 2.643 20 0 CFADRP C(C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662287426 414497086 /nfs/dbraw/zinc/49/70/86/414497086.db2.gz ZUBVEAVNZUQDOI-IAGOWNOFSA-N 2 0 292.467 2.942 20 0 CFADRP CC[C@@H](C)[N@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000662290279 414497099 /nfs/dbraw/zinc/49/70/99/414497099.db2.gz OPKPPCOMWDITSV-HIFRSBDPSA-N 2 0 264.413 2.858 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293374 414497470 /nfs/dbraw/zinc/49/74/70/414497470.db2.gz KMJFNZCURUKHKX-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC000662286178 414498061 /nfs/dbraw/zinc/49/80/61/414498061.db2.gz PIQGTAADLVZMJR-BBWFWOEESA-N 2 0 280.456 2.785 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000662296134 414499706 /nfs/dbraw/zinc/49/97/06/414499706.db2.gz XYQCVFOMQOXUFM-DZGCQCFKSA-N 2 0 277.412 2.756 20 0 CFADRP c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CC[NH2+]C2)cc1 ZINC000662303674 414501085 /nfs/dbraw/zinc/50/10/85/414501085.db2.gz ANBVLUZYBOPVJC-LTBNCBHWSA-N 2 0 286.419 2.670 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000662307812 414502868 /nfs/dbraw/zinc/50/28/68/414502868.db2.gz ZNHKMJYLFZFQPF-GOEBONIOSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cccnc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316088 414504985 /nfs/dbraw/zinc/50/49/85/414504985.db2.gz JUVHMEWWKUBUNE-GDBMZVCRSA-N 2 0 261.413 2.729 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319063 414505042 /nfs/dbraw/zinc/50/50/42/414505042.db2.gz JYOGWPFGXFSWST-SFHVURJKSA-N 2 0 290.451 2.846 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662317482 414505056 /nfs/dbraw/zinc/50/50/56/414505056.db2.gz PYPJLZUKFYBHFM-AEFFLSMTSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nc1 ZINC000662317478 414505944 /nfs/dbraw/zinc/50/59/44/414505944.db2.gz QSMZKTCXQOTSKY-GDBMZVCRSA-N 2 0 261.413 2.729 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)[C@@H]1CCC[NH3+] ZINC000662314395 414506241 /nfs/dbraw/zinc/50/62/41/414506241.db2.gz OTLZWYNHFYKVNA-GDBMZVCRSA-N 2 0 292.471 2.978 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662322887 414507459 /nfs/dbraw/zinc/50/74/59/414507459.db2.gz NLEYXOHPTSPEJN-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC(C)(C)C)CCO1 ZINC000662323583 414507734 /nfs/dbraw/zinc/50/77/34/414507734.db2.gz OARBLTLLIHAZSH-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP C([C@@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662322392 414507887 /nfs/dbraw/zinc/50/78/87/414507887.db2.gz LUGSGCICSXPBAR-GDBMZVCRSA-N 2 0 250.430 2.888 20 0 CFADRP CC1CCC(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662324863 414508202 /nfs/dbraw/zinc/50/82/02/414508202.db2.gz ZJSLQJUHOONEEK-OFLPRAFFSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000662376111 414526719 /nfs/dbraw/zinc/52/67/19/414526719.db2.gz UPTMNFZBCGYLBZ-UHFFFAOYSA-N 2 0 295.386 2.604 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C)o1 ZINC000656197847 414531635 /nfs/dbraw/zinc/53/16/35/414531635.db2.gz BVZZSARISJWLLG-MJBXVCDLSA-N 2 0 266.385 2.525 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656196036 414531643 /nfs/dbraw/zinc/53/16/43/414531643.db2.gz UXAKNORUBKPXHD-BHYGNILZSA-N 2 0 289.467 2.975 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Nc1ccccc1 ZINC000656198091 414532042 /nfs/dbraw/zinc/53/20/42/414532042.db2.gz DKLFNGJVUQRHIA-XIRDDKMYSA-N 2 0 275.440 2.983 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c[nH]c21 ZINC000656196914 414532267 /nfs/dbraw/zinc/53/22/67/414532267.db2.gz UQPKMOIQIJOMNV-HUUCEWRRSA-N 2 0 271.408 2.878 20 0 CFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000656201081 414533508 /nfs/dbraw/zinc/53/35/08/414533508.db2.gz JSBFDJCMIDQBDJ-OCCSQVGLSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656200577 414533687 /nfs/dbraw/zinc/53/36/87/414533687.db2.gz AGNRVTLAIPJZAR-XDNAFOTISA-N 3 0 293.499 2.904 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)c1 ZINC000656200344 414534015 /nfs/dbraw/zinc/53/40/15/414534015.db2.gz MGCNPHKUWCYWSG-APWZRJJASA-N 2 0 297.446 2.789 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)C1 ZINC000656200371 414534364 /nfs/dbraw/zinc/53/43/64/414534364.db2.gz KTAWHTCFJSVDPU-MGPQQGTHSA-N 2 0 292.448 2.789 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000656201859 414535059 /nfs/dbraw/zinc/53/50/59/414535059.db2.gz SZRGVLAFACOXEJ-WCQYABFASA-N 2 0 278.387 2.544 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@@H]1CCCCO1 ZINC000656202190 414535521 /nfs/dbraw/zinc/53/55/21/414535521.db2.gz ZVZKFSSLIXSMFL-JQFCIGGWSA-N 2 0 291.439 2.847 20 0 CFADRP CC(C)=CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000659867321 414596243 /nfs/dbraw/zinc/59/62/43/414596243.db2.gz WLGDSSDERHTZHK-HDICACEKSA-N 2 0 293.499 2.833 20 0 CFADRP CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000659880390 414604851 /nfs/dbraw/zinc/60/48/51/414604851.db2.gz AUTSYZQRQXEROG-SQWLQELKSA-N 2 0 270.461 2.587 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCCC2)C1 ZINC000659920253 414615470 /nfs/dbraw/zinc/61/54/70/414615470.db2.gz JFBCKPINIHZEJR-MRXNPFEDSA-N 2 0 282.472 2.734 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)nc(C)n2)CC1 ZINC000659842946 414581376 /nfs/dbraw/zinc/58/13/76/414581376.db2.gz IYAZNVQTTGIAAW-UHFFFAOYSA-N 2 0 290.455 2.647 20 0 CFADRP CCC[C@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659970576 414635336 /nfs/dbraw/zinc/63/53/36/414635336.db2.gz KNFMCQQZTKMXEX-JKSUJKDBSA-N 2 0 270.461 2.590 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659982425 414639241 /nfs/dbraw/zinc/63/92/41/414639241.db2.gz MKSCMTXBWRIWMB-KSZLIROESA-N 2 0 295.515 2.628 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCC1 ZINC000659956816 414632516 /nfs/dbraw/zinc/63/25/16/414632516.db2.gz NGMNLXHKVBSJQO-NVXWUHKLSA-N 2 0 280.456 2.609 20 0 CFADRP c1cc(N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc[nH+]1 ZINC000660003065 414648528 /nfs/dbraw/zinc/64/85/28/414648528.db2.gz DLIYHPQAAXUWJZ-OAGGEKHMSA-N 2 0 271.408 2.640 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000659989297 414644398 /nfs/dbraw/zinc/64/43/98/414644398.db2.gz HVOVMKIYANCAIB-STQMWFEESA-N 2 0 262.388 2.941 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000660065346 414656712 /nfs/dbraw/zinc/65/67/12/414656712.db2.gz VFSBJQWQCOPJQW-OAGGEKHMSA-N 2 0 284.488 2.882 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCC2)[C@H](C)C1 ZINC000660082152 414660260 /nfs/dbraw/zinc/66/02/60/414660260.db2.gz KXJXTPHUKRPMHU-PVAVHDDUSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)c1cccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000663316011 414671431 /nfs/dbraw/zinc/67/14/31/414671431.db2.gz RTLGCTREEBRWPY-INIZCTEOSA-N 2 0 289.467 2.536 20 0 CFADRP CC(C)c1cccc(C[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000663315039 414671749 /nfs/dbraw/zinc/67/17/49/414671749.db2.gz PPXHIEAYZVCESZ-UHFFFAOYSA-N 2 0 289.467 2.537 20 0 CFADRP C[C@@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152670 414672026 /nfs/dbraw/zinc/67/20/26/414672026.db2.gz BQOXSTFAYIFTKK-AEFFLSMTSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)=CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000660128193 414667445 /nfs/dbraw/zinc/66/74/45/414667445.db2.gz TWGSDSFCEMPPGL-JWTNVVGKSA-N 2 0 291.483 2.586 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC000040640568 174364592 /nfs/dbraw/zinc/36/45/92/174364592.db2.gz YOTKBTSVWYRITB-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746906 174391842 /nfs/dbraw/zinc/39/18/42/174391842.db2.gz CMVLSNZWAFLYBN-XYPWUTKMSA-N 2 0 274.408 2.589 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746907 174391960 /nfs/dbraw/zinc/39/19/60/174391960.db2.gz CCIIJUYHQDICQM-XYPWUTKMSA-N 2 0 274.408 2.589 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000040770132 174399748 /nfs/dbraw/zinc/39/97/48/174399748.db2.gz PYUSZZFMUBOSPJ-FUHWJXTLSA-N 2 0 289.467 2.609 20 0 CFADRP COCC1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343652 414676533 /nfs/dbraw/zinc/67/65/33/414676533.db2.gz AIEZXZKRXGQEBI-ADKAHSJRSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000663343908 414676964 /nfs/dbraw/zinc/67/69/64/414676964.db2.gz JOXBYCXGONLEOX-KBMXLJTQSA-N 2 0 282.497 2.982 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344038 414677025 /nfs/dbraw/zinc/67/70/25/414677025.db2.gz MQNYYNYNXQJFJD-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP c1nc2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)ccc2[nH]1 ZINC000663346947 414677504 /nfs/dbraw/zinc/67/75/04/414677504.db2.gz YJRCCXJDRUFUBI-MRXNPFEDSA-N 2 0 298.434 2.775 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423405087 287295201 /nfs/dbraw/zinc/29/52/01/287295201.db2.gz JBOZHENYMCOEKF-OAGGEKHMSA-N 2 0 282.472 2.807 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511757 175187944 /nfs/dbraw/zinc/18/79/44/175187944.db2.gz NNMJHHAVQICNGQ-HNNXBMFYSA-N 2 0 250.361 2.948 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)o1 ZINC000044516157 175189850 /nfs/dbraw/zinc/18/98/50/175189850.db2.gz PKLJIAYTLGQXMG-GFCCVEGCSA-N 2 0 250.386 2.889 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000044516745 175190441 /nfs/dbraw/zinc/19/04/41/175190441.db2.gz LIRJEDBJZVZHAF-UHFFFAOYSA-N 2 0 290.436 2.570 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000044516768 175190524 /nfs/dbraw/zinc/19/05/24/175190524.db2.gz URQWSSLTHCAAJE-CYBMUJFWSA-N 2 0 274.408 2.614 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044528041 175192708 /nfs/dbraw/zinc/19/27/08/175192708.db2.gz NXTGFOFJWIZJKF-HNNXBMFYSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341172014 287299672 /nfs/dbraw/zinc/29/96/72/287299672.db2.gz CYBMMASJUOLQNU-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[NH+](C)C ZINC000045663364 175382193 /nfs/dbraw/zinc/38/21/93/175382193.db2.gz XSYHWLBOHDEFKQ-CQSZACIVSA-N 2 0 292.423 2.668 20 0 CFADRP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000071142389 176040301 /nfs/dbraw/zinc/04/03/01/176040301.db2.gz ADGAYEWLPBBTLA-VXGBXAGGSA-N 2 0 284.350 2.890 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495439 287319043 /nfs/dbraw/zinc/31/90/43/287319043.db2.gz LQGCCXZLSZMUFC-BZUAXINKSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249110036 287348131 /nfs/dbraw/zinc/34/81/31/287348131.db2.gz QRSFAGZXPLSNDI-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H]1C ZINC000415004356 287411265 /nfs/dbraw/zinc/41/12/65/287411265.db2.gz HRAWLTVGWRSOKC-XVLPMQGWSA-N 2 0 250.430 2.789 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(C)(C)C ZINC000417909743 227151852 /nfs/dbraw/zinc/15/18/52/227151852.db2.gz DGGCTEXLEPZYBB-STQMWFEESA-N 2 0 256.434 2.510 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)n(C)n1 ZINC000417965103 227237153 /nfs/dbraw/zinc/23/71/53/227237153.db2.gz RAUQZBWXIZERCD-UHFFFAOYSA-N 2 0 292.471 2.576 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000400998742 420503500 /nfs/dbraw/zinc/50/35/00/420503500.db2.gz ALELSWLYRJLLHI-KCQAQPDRSA-N 2 0 250.430 2.790 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)COC1CCCCC1 ZINC000401049868 420504175 /nfs/dbraw/zinc/50/41/75/420504175.db2.gz XQNJIJVBUFUQKQ-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400923825 420502446 /nfs/dbraw/zinc/50/24/46/420502446.db2.gz GUIIZAODXDVSNO-KCQAQPDRSA-N 2 0 250.430 2.790 20 0 CFADRP COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397478136 270318498 /nfs/dbraw/zinc/31/84/98/270318498.db2.gz JESSQQUOPUFAQX-NFAWXSAZSA-N 2 0 262.397 2.500 20 0 CFADRP [NH3+]CCCCC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000517747547 260034204 /nfs/dbraw/zinc/03/42/04/260034204.db2.gz XDWQMYDGJDMGJM-UHFFFAOYSA-N 2 0 285.347 2.941 20 0 CFADRP c1nc(C2CC2)sc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000521044146 260039321 /nfs/dbraw/zinc/03/93/21/260039321.db2.gz ROMQYALTMXLVOQ-UHFFFAOYSA-N 2 0 277.437 2.596 20 0 CFADRP CCn1c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)nc2ccccc21 ZINC000517892139 260315054 /nfs/dbraw/zinc/31/50/54/260315054.db2.gz IGBPRVXHGVBTBX-UONOGXRCSA-N 2 0 286.423 2.663 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC(F)F ZINC000422814189 533685431 /nfs/dbraw/zinc/68/54/31/533685431.db2.gz TYMQDZNCYWLNRX-ZJUUUORDSA-N 2 0 288.338 2.512 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000391212299 262390503 /nfs/dbraw/zinc/39/05/03/262390503.db2.gz QHGPHIGPHZWLHG-SOUVJXGZSA-N 2 0 293.480 2.894 20 0 CFADRP Cc1cccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063200041 262446992 /nfs/dbraw/zinc/44/69/92/262446992.db2.gz AZWHOXOAXZGZHZ-SFHVURJKSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000090077724 649861229 /nfs/dbraw/zinc/86/12/29/649861229.db2.gz OQFFFMPMYNCQOH-BLLLJJGKSA-N 2 0 296.842 2.693 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000314694478 265178342 /nfs/dbraw/zinc/17/83/42/265178342.db2.gz AUMJPXMZHAAETD-WMZOPIPTSA-N 2 0 288.435 2.756 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000093488576 265182502 /nfs/dbraw/zinc/18/25/02/265182502.db2.gz LYSPPOHMYZKDIO-ZJPYXAASSA-N 2 0 295.515 2.863 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000519138994 265330155 /nfs/dbraw/zinc/33/01/55/265330155.db2.gz OLHKDGYATJAQAZ-WCVJEAGWSA-N 2 0 290.455 2.553 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000519155393 265343143 /nfs/dbraw/zinc/34/31/43/265343143.db2.gz DJKHGQAZFVPUSD-CABCVRRESA-N 2 0 299.418 2.876 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[NH+]1CCCCCC1 ZINC000192466012 270232024 /nfs/dbraw/zinc/23/20/24/270232024.db2.gz JNKQRTNIJHRKSV-ZACQAIPSSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194293121 270243882 /nfs/dbraw/zinc/24/38/82/270243882.db2.gz UYLDVWVTECVDOL-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237226939 270265697 /nfs/dbraw/zinc/26/56/97/270265697.db2.gz CYBLBBZDUAUNFX-CVEARBPZSA-N 2 0 289.423 2.642 20 0 CFADRP c1cn(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000250248491 270273106 /nfs/dbraw/zinc/27/31/06/270273106.db2.gz NLNRGABAPVTUKM-GVDBMIGSSA-N 2 0 290.455 2.564 20 0 CFADRP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000250248487 270273146 /nfs/dbraw/zinc/27/31/46/270273146.db2.gz NLNRGABAPVTUKM-BRWVUGGUSA-N 2 0 290.455 2.564 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCc1ccc2ccccc2c1 ZINC000258677718 270274377 /nfs/dbraw/zinc/27/43/77/270274377.db2.gz DNEXWTXKWPPRBI-UHFFFAOYSA-N 2 0 256.393 2.924 20 0 CFADRP c1ccc2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000258959087 270274688 /nfs/dbraw/zinc/27/46/88/270274688.db2.gz JHONQVZENWRQFH-OAHLLOKOSA-N 2 0 254.377 2.929 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000258948187 270274875 /nfs/dbraw/zinc/27/48/75/270274875.db2.gz IKTHCBBXBNMRQB-HNNXBMFYSA-N 2 0 262.397 2.563 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000391219502 270306162 /nfs/dbraw/zinc/30/61/62/270306162.db2.gz YFYXSKSYQFWJKJ-RBSFLKMASA-N 2 0 293.480 2.976 20 0 CFADRP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000395093838 270311103 /nfs/dbraw/zinc/31/11/03/270311103.db2.gz RSSQEOHAXMSWHO-AEFFLSMTSA-N 3 0 289.467 2.629 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CCCC[NH3+] ZINC000395215591 270312068 /nfs/dbraw/zinc/31/20/68/270312068.db2.gz KESGJMHOJPIMPO-UHFFFAOYSA-N 2 0 271.202 2.586 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000397250194 270316826 /nfs/dbraw/zinc/31/68/26/270316826.db2.gz CFLNFEAILLQPDM-YDHLFZDLSA-N 2 0 292.423 2.509 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000397392409 270318004 /nfs/dbraw/zinc/31/80/04/270318004.db2.gz OGEKMAAHRYGIHE-KFWWJZLASA-N 2 0 270.486 2.886 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1C ZINC000397426410 270318179 /nfs/dbraw/zinc/31/81/79/270318179.db2.gz XUOZHAFVWMGNLA-NOLJZWGESA-N 2 0 276.424 2.809 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397487236 270318429 /nfs/dbraw/zinc/31/84/29/270318429.db2.gz WDYBBLSRUQGDKI-YDHLFZDLSA-N 2 0 264.388 2.939 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000422931314 270332414 /nfs/dbraw/zinc/33/24/14/270332414.db2.gz BNDZZKLWIQIHDK-XHDPSFHLSA-N 2 0 250.361 2.920 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459381905 270336899 /nfs/dbraw/zinc/33/68/99/270336899.db2.gz VVUJSGAMZQJBAA-UHFFFAOYSA-N 2 0 276.424 2.622 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H](C)C2 ZINC000514930743 270358093 /nfs/dbraw/zinc/35/80/93/270358093.db2.gz PGOXLBVJEDSBCU-SUMWQHHRSA-N 2 0 258.409 2.818 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000515053367 270361486 /nfs/dbraw/zinc/36/14/86/270361486.db2.gz UEKPDQWOSXNKAZ-YESZJQIVSA-N 2 0 291.439 2.734 20 0 CFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)CC(F)(F)F ZINC000515166493 270364339 /nfs/dbraw/zinc/36/43/39/270364339.db2.gz RYALEMOLGUBUFO-ZDUSSCGKSA-N 2 0 296.377 2.546 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OCC(C)C ZINC000516062540 270377376 /nfs/dbraw/zinc/37/73/76/270377376.db2.gz CPWRIEFEMWAZHS-ZIAGYGMSSA-N 2 0 294.439 2.945 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)CO2 ZINC000516173910 270378021 /nfs/dbraw/zinc/37/80/21/270378021.db2.gz MAPYZMHFHOFVJQ-CXAGYDPISA-N 2 0 297.402 2.941 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)c2ccccc21 ZINC000516273605 270379353 /nfs/dbraw/zinc/37/93/53/270379353.db2.gz FTKZRTOBHGXOHU-DLBZAZTESA-N 2 0 292.386 2.840 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000516254037 270379575 /nfs/dbraw/zinc/37/95/75/270379575.db2.gz PEVXSPWSXZAWLD-OAHLLOKOSA-N 2 0 287.451 2.734 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCC1CCC1 ZINC000517024156 270395655 /nfs/dbraw/zinc/39/56/55/270395655.db2.gz KDNFNVOVAQNSSO-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000527639418 270513676 /nfs/dbraw/zinc/51/36/76/270513676.db2.gz CLRDZSSMPNOCSA-VRKREXBASA-N 2 0 250.430 2.743 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000530623510 270802802 /nfs/dbraw/zinc/80/28/02/270802802.db2.gz VYWSJDIPUVDMKQ-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP CC[C@@H]([NH2+]CCCNc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000423026131 273722173 /nfs/dbraw/zinc/72/21/73/273722173.db2.gz AOCIIPWOXIXBAZ-ZBFHGGJFSA-N 2 0 279.403 2.748 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC[NH2+]CC1 ZINC000423397995 274017957 /nfs/dbraw/zinc/01/79/57/274017957.db2.gz COQDZMLPXVZEON-PBHICJAKSA-N 2 0 288.435 2.841 20 0 CFADRP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000423173741 274154383 /nfs/dbraw/zinc/15/43/83/274154383.db2.gz ZXICLXBKRVWHIL-FSPWUOQZSA-N 2 0 294.398 2.897 20 0 CFADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423225326 274236184 /nfs/dbraw/zinc/23/61/84/274236184.db2.gz MHFHWHGVFIXOQV-MNOVXSKESA-N 2 0 256.340 2.613 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1nccs1 ZINC000423035349 274238294 /nfs/dbraw/zinc/23/82/94/274238294.db2.gz JFRNETAYTMBXJM-UMVBOHGHSA-N 2 0 289.448 2.795 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000338779126 274283226 /nfs/dbraw/zinc/28/32/26/274283226.db2.gz SUAIFEXAAMTNNP-DEQQHWRFSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527788 274287349 /nfs/dbraw/zinc/28/73/49/274287349.db2.gz MTOWAMBHSHFQOO-BSWAZPDLSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423385711 274377919 /nfs/dbraw/zinc/37/79/19/274377919.db2.gz GXXOXDZPCVWYHL-KMUNFCNLSA-N 2 0 264.800 2.915 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423376199 274412540 /nfs/dbraw/zinc/41/25/40/274412540.db2.gz KVWINCBRRTTXSP-JDOCFBBISA-N 2 0 262.372 2.789 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261621 274415347 /nfs/dbraw/zinc/41/53/47/274415347.db2.gz SNJRWEHGEOVGML-JKIFEVAISA-N 2 0 258.409 2.899 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423552450 274416171 /nfs/dbraw/zinc/41/61/71/274416171.db2.gz UYBSNXBAOQHNQE-AEWXESQOSA-N 2 0 270.420 2.898 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423479854 274514166 /nfs/dbraw/zinc/51/41/66/274514166.db2.gz VHUYLGPCVNHMPO-MJBXVCDLSA-N 2 0 286.423 2.741 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000422758758 274517992 /nfs/dbraw/zinc/51/79/92/274517992.db2.gz KRAOQGQOPMFXEF-YQQAZPJKSA-N 2 0 298.434 2.911 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1=CC[NH2+]CC1)CC3 ZINC000335502706 274765530 /nfs/dbraw/zinc/76/55/30/274765530.db2.gz WKKPUGPRWMSSNL-HNNXBMFYSA-N 2 0 295.430 2.843 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCOCC[NH+](C)C)CCC2 ZINC000447594314 274773881 /nfs/dbraw/zinc/77/38/81/274773881.db2.gz YDCZOKASSKHASE-KRWDZBQOSA-N 2 0 276.424 2.540 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000414844122 274882012 /nfs/dbraw/zinc/88/20/12/274882012.db2.gz RAHPOTHSJQJTAG-WBMJQRKESA-N 2 0 278.827 2.787 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423196766 274945567 /nfs/dbraw/zinc/94/55/67/274945567.db2.gz WEGRSWNIPVMCOT-LBPRGKRZSA-N 2 0 274.286 2.511 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423240256 275069645 /nfs/dbraw/zinc/06/96/45/275069645.db2.gz BYRSROXYSRBLFG-CZUORRHYSA-N 2 0 276.449 2.606 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422920046 275690489 /nfs/dbraw/zinc/69/04/89/275690489.db2.gz LKLNOKAQRBRFHJ-KNIAUWFNSA-N 2 0 268.445 2.545 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423283089 275725277 /nfs/dbraw/zinc/72/52/77/275725277.db2.gz XBLZDKYPCDPLHF-YLFCFFPRSA-N 2 0 280.456 2.561 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423239901 275860453 /nfs/dbraw/zinc/86/04/53/275860453.db2.gz BURHAGYZEBOOHX-XJKSGUPXSA-N 2 0 258.409 2.998 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000352843653 275921592 /nfs/dbraw/zinc/92/15/92/275921592.db2.gz BJRXSCVAWSRWFK-JQHSSLGASA-N 2 0 294.483 2.661 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093513874 275941243 /nfs/dbraw/zinc/94/12/43/275941243.db2.gz UYPAOWVOCBYEME-RDJZCZTQSA-N 2 0 281.488 2.760 20 0 CFADRP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCOCC[NH3+] ZINC000357069080 276025397 /nfs/dbraw/zinc/02/53/97/276025397.db2.gz GVXFEYPNBBGIDI-OAHLLOKOSA-N 2 0 284.831 2.944 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423253674 276056641 /nfs/dbraw/zinc/05/66/41/276056641.db2.gz ZHUIQNZOPZUYKK-COXVUDFISA-N 2 0 275.440 2.540 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000357319337 276073592 /nfs/dbraw/zinc/07/35/92/276073592.db2.gz BMZLSMWWUKBOTH-LBPRGKRZSA-N 2 0 267.804 2.821 20 0 CFADRP CC1(C)CC([NH2+][C@@H]2CCCc3n[nH]cc32)CC(C)(C)[NH2+]1 ZINC000335136256 276100510 /nfs/dbraw/zinc/10/05/10/276100510.db2.gz PZIYXSZBNKJHDU-CYBMUJFWSA-N 2 0 276.428 2.686 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000334313449 276114429 /nfs/dbraw/zinc/11/44/29/276114429.db2.gz WQFHOTXXPJAYGR-HOTGVXAUSA-N 2 0 280.456 2.894 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCOC(C)(C)C1 ZINC000351925533 276134364 /nfs/dbraw/zinc/13/43/64/276134364.db2.gz LIHRMWDLDGXCJF-GJZGRUSLSA-N 2 0 268.445 2.750 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000152615789 276180227 /nfs/dbraw/zinc/18/02/27/276180227.db2.gz PYUKKVWAUGCMDN-FUHWJXTLSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000134180275 276180243 /nfs/dbraw/zinc/18/02/43/276180243.db2.gz QBDYQGVQBHZWNY-RCCFBDPRSA-N 2 0 294.483 2.805 20 0 CFADRP CC1CC[NH+](CC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000361770296 276196437 /nfs/dbraw/zinc/19/64/37/276196437.db2.gz WMIUAWHDCCKUIL-QZTJIDSGSA-N 2 0 294.483 2.734 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422885069 276196540 /nfs/dbraw/zinc/19/65/40/276196540.db2.gz TXFWLQJFAPOQRW-UHFFFAOYSA-N 3 0 281.488 2.606 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC000336838538 276199097 /nfs/dbraw/zinc/19/90/97/276199097.db2.gz QOSZMPHZZAJCLF-MSOLQXFVSA-N 2 0 294.483 2.857 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@@H](C)C1 ZINC000355140199 276216789 /nfs/dbraw/zinc/21/67/89/276216789.db2.gz XRTPNHMVXADDHU-ORBLRFAASA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000090217825 276217156 /nfs/dbraw/zinc/21/71/56/276217156.db2.gz RBCCUISPCZNWQV-YYIAUSFCSA-N 2 0 282.472 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)C1 ZINC000360414677 276221802 /nfs/dbraw/zinc/22/18/02/276221802.db2.gz RSYKEDKMRSLQJW-XNJGSVPQSA-N 2 0 276.399 2.990 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCOC)CCC2)[C@@H](C)C1 ZINC000246895020 276228415 /nfs/dbraw/zinc/22/84/15/276228415.db2.gz DZIXPHHRGBGPPT-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000268710602 276231310 /nfs/dbraw/zinc/23/13/10/276231310.db2.gz GPOJPQTYNONSSW-WBAXXEDZSA-N 2 0 272.436 2.864 20 0 CFADRP CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159076997 276236358 /nfs/dbraw/zinc/23/63/58/276236358.db2.gz KYCKLBFLBRIJOC-SJORKVTESA-N 2 0 258.409 2.993 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000365064746 276263495 /nfs/dbraw/zinc/26/34/95/276263495.db2.gz AXQYBBHYSXOCJN-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000336805941 276323358 /nfs/dbraw/zinc/32/33/58/276323358.db2.gz XPONCWUHEAOLMC-ZBFHGGJFSA-N 2 0 268.445 2.608 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000157614774 276335490 /nfs/dbraw/zinc/33/54/90/276335490.db2.gz TZONZRDDMABXQX-UAGQMJEPSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(C)(C)OC)C[C@H]1C ZINC000336784560 276394250 /nfs/dbraw/zinc/39/42/50/276394250.db2.gz ROFMDLZIPWPSFK-ZIAGYGMSSA-N 2 0 256.434 2.606 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)[C@H](C)C1 ZINC000186504899 276395925 /nfs/dbraw/zinc/39/59/25/276395925.db2.gz QKRYFFKEIMXCMX-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422829246 276397471 /nfs/dbraw/zinc/39/74/71/276397471.db2.gz BOAZJPPNVUBHFJ-XJFOESAGSA-N 2 0 256.459 2.781 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420305285 276398760 /nfs/dbraw/zinc/39/87/60/276398760.db2.gz PHAFBKSIJJYKGW-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423142888 276436926 /nfs/dbraw/zinc/43/69/26/276436926.db2.gz BNTHNXOFDBALTO-YUELXQCFSA-N 2 0 276.449 2.996 20 0 CFADRP CC[C@H](CSC)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423017246 287909630 /nfs/dbraw/zinc/90/96/30/287909630.db2.gz OEJLSDWFYHJIQN-ZYHUDNBSSA-N 2 0 267.442 2.641 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000429982922 276754722 /nfs/dbraw/zinc/75/47/22/276754722.db2.gz FKLXMUNOPJGJOP-UHFFFAOYSA-N 2 0 250.361 2.788 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000340281706 276758617 /nfs/dbraw/zinc/75/86/17/276758617.db2.gz HDJMJSQIJPMUSN-CYBMUJFWSA-N 2 0 260.372 2.695 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](CC2CCCCCC2)CC1 ZINC000353516346 276792063 /nfs/dbraw/zinc/79/20/63/276792063.db2.gz GSVYHLSYCQNOKD-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C(C[NH2+]C1CCC2(CCOCC2)CC1)C[C@H]1CCC[NH2+]1 ZINC000414964544 276811102 /nfs/dbraw/zinc/81/11/02/276811102.db2.gz DTZBABNLDDEVSE-OAHLLOKOSA-N 2 0 280.456 2.848 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337998567 276885482 /nfs/dbraw/zinc/88/54/82/276885482.db2.gz VLRDSPNIRFKIQC-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000125321782 277026284 /nfs/dbraw/zinc/02/62/84/277026284.db2.gz KDBDZHAOSSXAOJ-GOSISDBHSA-N 2 0 272.436 2.865 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348248718 277026717 /nfs/dbraw/zinc/02/67/17/277026717.db2.gz TZZQJSQYFHYQHJ-SJORKVTESA-N 2 0 258.409 2.722 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000128537637 277051498 /nfs/dbraw/zinc/05/14/98/277051498.db2.gz NVAQRVJBWNEJKE-ZWKOTPCHSA-N 2 0 293.499 2.572 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000459790110 277053271 /nfs/dbraw/zinc/05/32/71/277053271.db2.gz QUGDVXOLABEWGN-YJBOKZPZSA-N 2 0 272.436 2.865 20 0 CFADRP C[NH+]1CCN(CCC[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000129228422 277105334 /nfs/dbraw/zinc/10/53/34/277105334.db2.gz DTWIGLKKYJWUOK-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]C2CC3(C2)CCCCC3)CC1(C)C ZINC000421350708 277106219 /nfs/dbraw/zinc/10/62/19/277106219.db2.gz BDOVLYQEFPCZPM-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1(C)C ZINC000442888127 277106678 /nfs/dbraw/zinc/10/66/78/277106678.db2.gz FBAKWCFGCKTCTF-SJORKVTESA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccccc43)C[C@H]21 ZINC000375047988 277147020 /nfs/dbraw/zinc/14/70/20/277147020.db2.gz GHNXQUBNUUSEMW-CXAGYDPISA-N 2 0 267.376 2.765 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000353385084 277171074 /nfs/dbraw/zinc/17/10/74/277171074.db2.gz JOXDTCQBNJBFSM-YESZJQIVSA-N 2 0 280.456 2.798 20 0 CFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423522693 277173024 /nfs/dbraw/zinc/17/30/24/277173024.db2.gz XYZPSJZKSOOBCR-XOYOTBSWSA-N 2 0 287.451 2.539 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353626167 277173063 /nfs/dbraw/zinc/17/30/63/277173063.db2.gz XOQZXIAPAUGPAE-FXUDXRNXSA-N 2 0 278.440 2.551 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C[C@@H]2C1 ZINC000194540212 277198838 /nfs/dbraw/zinc/19/88/38/277198838.db2.gz VCYSNELKPAGPCA-UKBAYJJMSA-N 2 0 284.447 2.990 20 0 CFADRP COC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000246475649 277247787 /nfs/dbraw/zinc/24/77/87/277247787.db2.gz QHUVPPVPYSXGIY-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)(C)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000444607644 277258522 /nfs/dbraw/zinc/25/85/22/277258522.db2.gz JLMBUUBLUJTRPB-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000346691097 277266145 /nfs/dbraw/zinc/26/61/45/277266145.db2.gz VDYBOJQMRCGOBU-UHFFFAOYSA-N 2 0 278.444 2.529 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000423255587 277282527 /nfs/dbraw/zinc/28/25/27/277282527.db2.gz AIASCPCKVYUVCK-XKQJLSEDSA-N 2 0 294.414 2.881 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423266220 277282764 /nfs/dbraw/zinc/28/27/64/277282764.db2.gz DANDGLTUFXSJPK-DZGCQCFKSA-N 2 0 262.397 2.654 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423012436 277286604 /nfs/dbraw/zinc/28/66/04/277286604.db2.gz DAFMTIRQCAQYPB-LVQVYYBASA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)(C[C@H]1CCC[N@@H+]([C@H]2CCC[NH2+]CC2)C1)C(N)=O ZINC000333858338 277305081 /nfs/dbraw/zinc/30/50/81/277305081.db2.gz RMCHDHGVFAXMDY-KGLIPLIRSA-N 2 0 281.444 2.792 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423473096 277334255 /nfs/dbraw/zinc/33/42/55/277334255.db2.gz NQKBPRCJPFCTHA-DIECFANBSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000370730837 277337819 /nfs/dbraw/zinc/33/78/19/277337819.db2.gz QWSIOOCYNDZFSU-ZNMIVQPWSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)C1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422924998 277337848 /nfs/dbraw/zinc/33/78/48/277337848.db2.gz ZQKMFERWZPNTLP-HOCLYGCPSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374837688 277374431 /nfs/dbraw/zinc/37/44/31/277374431.db2.gz JWASXFJHJUJHCO-UHFFFAOYSA-N 2 0 261.413 2.886 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340308092 277392401 /nfs/dbraw/zinc/39/24/01/277392401.db2.gz WSQXUUVQRYGKBO-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000246339818 277397024 /nfs/dbraw/zinc/39/70/24/277397024.db2.gz GSFHKUPZLYLHKI-BSDSXHPESA-N 2 0 295.515 2.673 20 0 CFADRP CSC1(C[NH2+]C2CCC(C)CC2)CC[NH+](C)CC1 ZINC000353197503 277507511 /nfs/dbraw/zinc/50/75/11/277507511.db2.gz WPVDWTXLIGYEKK-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000185219615 277697088 /nfs/dbraw/zinc/69/70/88/277697088.db2.gz KLVGGTIXUKGTNL-HOTGVXAUSA-N 2 0 282.472 2.900 20 0 CFADRP C1CC1[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000423551760 277757619 /nfs/dbraw/zinc/75/76/19/277757619.db2.gz OZNFZRJUCBEHDV-HZMVEIRTSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2sccc21 ZINC000423193894 277780834 /nfs/dbraw/zinc/78/08/34/277780834.db2.gz XHUBWPJQNLOXJD-UKRRQHHQSA-N 2 0 293.480 2.571 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422881475 278003586 /nfs/dbraw/zinc/00/35/86/278003586.db2.gz NUVJWYJVNCQGCX-VVLHAWIVSA-N 2 0 281.488 2.604 20 0 CFADRP COc1ccc2oc([C@@H](C)[NH2+]CCC[NH3+])c(C)c2c1 ZINC000423197034 278005421 /nfs/dbraw/zinc/00/54/21/278005421.db2.gz XNMBGLFRIAPROS-LLVKDONJSA-N 2 0 262.353 2.749 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000352609576 278011257 /nfs/dbraw/zinc/01/12/57/278011257.db2.gz UUWQMJAYZFWJEU-BRWVUGGUSA-N 2 0 280.456 2.752 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000414967132 278034412 /nfs/dbraw/zinc/03/44/12/278034412.db2.gz POOBAZPIQLLBEV-HOTGVXAUSA-N 2 0 288.435 2.674 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423253679 278049673 /nfs/dbraw/zinc/04/96/73/278049673.db2.gz ZHUIQNZOPZUYKK-XKQJLSEDSA-N 2 0 275.440 2.540 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037648872 278050753 /nfs/dbraw/zinc/05/07/53/278050753.db2.gz HZMKPAHGZPDJJW-HUUCEWRRSA-N 2 0 288.435 2.700 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704367 278059920 /nfs/dbraw/zinc/05/99/20/278059920.db2.gz NBTYNXIWYGXMPI-ARFHVFGLSA-N 2 0 288.435 2.873 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000368608330 278125831 /nfs/dbraw/zinc/12/58/31/278125831.db2.gz NOOLWOIKQXAAJV-BFHYXJOUSA-N 2 0 268.470 2.735 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422920199 278126355 /nfs/dbraw/zinc/12/63/55/278126355.db2.gz LUMAUNBXAMAGBQ-CABCVRRESA-N 2 0 292.448 2.633 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000425352862 278147478 /nfs/dbraw/zinc/14/74/78/278147478.db2.gz IHIKSJPCAOKARB-BFHYXJOUSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423431148 278168984 /nfs/dbraw/zinc/16/89/84/278168984.db2.gz LJPMPHSBXZYETM-RBSFLKMASA-N 2 0 278.444 2.553 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422986332 278169028 /nfs/dbraw/zinc/16/90/28/278169028.db2.gz BZNDTFIZXFHZEE-ZFVVBOAOSA-N 2 0 258.409 2.679 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000246880719 278210095 /nfs/dbraw/zinc/21/00/95/278210095.db2.gz KISHBGKOOCVZGU-VQHPVUNQSA-N 2 0 294.483 2.902 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423069187 278215773 /nfs/dbraw/zinc/21/57/73/278215773.db2.gz ANDNQPRNXSDQHC-SJORKVTESA-N 2 0 287.451 2.843 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCSC1 ZINC000136355778 278216324 /nfs/dbraw/zinc/21/63/24/278216324.db2.gz PHKKVEPOQHZFKY-HZSPNIEDSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@H](F)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423139904 278223216 /nfs/dbraw/zinc/22/32/16/278223216.db2.gz WVGHVROIXOJKJM-BJJXKVORSA-N 2 0 278.371 2.580 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000310885477 278228046 /nfs/dbraw/zinc/22/80/46/278228046.db2.gz OMIHLZMNRLNYMK-JTQLQIEISA-N 2 0 260.303 2.922 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423126995 278228932 /nfs/dbraw/zinc/22/89/32/278228932.db2.gz BNPHHHXLUIOLCR-FUJDEKNSSA-N 2 0 288.435 2.522 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423163041 278240410 /nfs/dbraw/zinc/24/04/10/278240410.db2.gz MFYOFNCGUPYOEP-YLFCFFPRSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000057994397 278285531 /nfs/dbraw/zinc/28/55/31/278285531.db2.gz JCGJBQPKKXBWJL-MAUKXSAKSA-N 2 0 272.436 2.865 20 0 CFADRP C[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C[NH+](C)C ZINC000293387564 278285975 /nfs/dbraw/zinc/28/59/75/278285975.db2.gz IRTBQBNGETVVGS-BBRMVZONSA-N 2 0 261.413 2.710 20 0 CFADRP C[C@@H]([NH2+]C1CCc2ccccc2CC1)[C@@H]1CC[NH2+]C1 ZINC000335174887 278336875 /nfs/dbraw/zinc/33/68/75/278336875.db2.gz CMSKDYRUFDZCCY-CZUORRHYSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340187174 278341975 /nfs/dbraw/zinc/34/19/75/278341975.db2.gz UIJAWUXOJWCDKT-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423304194 278342078 /nfs/dbraw/zinc/34/20/78/278342078.db2.gz NMFGRKGGMYLLBB-WDEREUQCSA-N 2 0 275.421 2.597 20 0 CFADRP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423063588 278353733 /nfs/dbraw/zinc/35/37/33/278353733.db2.gz PGRVZGNHDRLCJJ-ZWNOBZJWSA-N 2 0 272.314 2.530 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000335495013 278368633 /nfs/dbraw/zinc/36/86/33/278368633.db2.gz GWMAWKTYPUFOJM-DGCLKSJQSA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422882114 288039344 /nfs/dbraw/zinc/03/93/44/288039344.db2.gz PAKIYEKUINXFTI-ULQDDVLXSA-N 3 0 281.488 2.761 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671518 278540196 /nfs/dbraw/zinc/54/01/96/278540196.db2.gz ARHSSRNBSCHNSS-ZACQAIPSSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423118291 278562118 /nfs/dbraw/zinc/56/21/18/278562118.db2.gz ZVYQLTVUCYWRHY-AGIUHOORSA-N 2 0 260.372 2.790 20 0 CFADRP CCC1([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335009751 278646460 /nfs/dbraw/zinc/64/64/60/278646460.db2.gz HXVSFJZJPNWKNU-PBHICJAKSA-N 2 0 272.392 2.775 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000229599510 288076670 /nfs/dbraw/zinc/07/66/70/288076670.db2.gz NDTBZNYJBBEPFW-NFAWXSAZSA-N 2 0 276.449 2.806 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000422763366 288078490 /nfs/dbraw/zinc/07/84/90/288078490.db2.gz NIPVVZUMCDSXAT-ZOWXZIJZSA-N 2 0 250.386 2.862 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000415113081 278964869 /nfs/dbraw/zinc/96/48/69/278964869.db2.gz SJCOQNDVTYSURS-XHBSWPGZSA-N 2 0 262.372 2.791 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474716853 279026951 /nfs/dbraw/zinc/02/69/51/279026951.db2.gz ZWRMQNBDWVZXQZ-BZSNNMDCSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000422979955 279082425 /nfs/dbraw/zinc/08/24/25/279082425.db2.gz NYVMAGQOZXXNKD-SJKOYZFVSA-N 2 0 297.402 2.892 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415115703 279094143 /nfs/dbraw/zinc/09/41/43/279094143.db2.gz XDVULTQFFFQPCI-XIRDDKMYSA-N 2 0 282.472 2.887 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358322208 288104451 /nfs/dbraw/zinc/10/44/51/288104451.db2.gz SMMJDPYEVHUGRB-NDBYEHHHSA-N 2 0 260.372 2.883 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Cl)cc1 ZINC000350319636 279109068 /nfs/dbraw/zinc/10/90/68/279109068.db2.gz PYMQQWQNLWHYIU-UHFFFAOYSA-N 2 0 284.831 2.788 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422839827 279123146 /nfs/dbraw/zinc/12/31/46/279123146.db2.gz RMQPCVKEIZMWNC-GVDBMIGSSA-N 3 0 281.488 2.619 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351323031 279124683 /nfs/dbraw/zinc/12/46/83/279124683.db2.gz DTQMEZKLVALQFJ-IRXDYDNUSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@@H]1c2ccccc2CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359185626 279133673 /nfs/dbraw/zinc/13/36/73/279133673.db2.gz GJXFZWCQWUCFJB-CQSZACIVSA-N 2 0 258.409 2.995 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000347437147 279135272 /nfs/dbraw/zinc/13/52/72/279135272.db2.gz KXHGNOIJPPYFFT-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422780710 279139005 /nfs/dbraw/zinc/13/90/05/279139005.db2.gz DFSUUPGXYDZQSG-MAUKXSAKSA-N 2 0 289.467 2.616 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422731076 279165153 /nfs/dbraw/zinc/16/51/53/279165153.db2.gz KTRGUSSWJQNXBO-YQQAZPJKSA-N 2 0 277.456 2.785 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000414690626 279179477 /nfs/dbraw/zinc/17/94/77/279179477.db2.gz NEDVMCKGIDXQEX-BZSNNMDCSA-N 2 0 295.515 2.946 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000415074898 279180454 /nfs/dbraw/zinc/18/04/54/279180454.db2.gz AMYKCZHODHPXIC-YDHLFZDLSA-N 2 0 262.397 2.514 20 0 CFADRP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccn1 ZINC000423493905 279194973 /nfs/dbraw/zinc/19/49/73/279194973.db2.gz RHRGPYVBMMAPNN-FMKPAKJESA-N 2 0 261.413 2.886 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000344449663 279252635 /nfs/dbraw/zinc/25/26/35/279252635.db2.gz QEMDZKBJJQBGFP-CQSZACIVSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423433191 279254718 /nfs/dbraw/zinc/25/47/18/279254718.db2.gz NABCHDXFMLWWIK-QKPAOTATSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423445533 279254893 /nfs/dbraw/zinc/25/48/93/279254893.db2.gz YAOCCOCINXBIRI-IUODEOHRSA-N 2 0 262.397 2.877 20 0 CFADRP C[C@H](CC[NH+](C)C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000049553803 279258560 /nfs/dbraw/zinc/25/85/60/279258560.db2.gz ZVIPPNCQKIDXIU-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)C[NH+](C)C ZINC000293327434 279350323 /nfs/dbraw/zinc/35/03/23/279350323.db2.gz FVLIJCRSDBZWGZ-IAQYHMDHSA-N 2 0 250.361 2.600 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000353243217 279355336 /nfs/dbraw/zinc/35/53/36/279355336.db2.gz LJZALYGPTGDGPV-BRWVUGGUSA-N 2 0 282.472 2.902 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000154511551 279356260 /nfs/dbraw/zinc/35/62/60/279356260.db2.gz TXKOBOVYUMTMQN-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COc2ccccc2C1 ZINC000262216953 279367974 /nfs/dbraw/zinc/36/79/74/279367974.db2.gz MGIADODKVXDAGO-PVAVHDDUSA-N 2 0 288.435 2.891 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000245639909 279369494 /nfs/dbraw/zinc/36/94/94/279369494.db2.gz YEXFRUZYAWHJTJ-OKZBNKHCSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423423327 279370148 /nfs/dbraw/zinc/37/01/48/279370148.db2.gz CAGINOVRMZEORK-MISXGVKJSA-N 2 0 277.412 2.586 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423147410 279370872 /nfs/dbraw/zinc/37/08/72/279370872.db2.gz RXQAAXGPKZYUAD-FIXISWKDSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000157226008 279381781 /nfs/dbraw/zinc/38/17/81/279381781.db2.gz ZNOFHMHAEWFLMQ-KGLIPLIRSA-N 2 0 276.399 2.831 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422914272 279384150 /nfs/dbraw/zinc/38/41/50/279384150.db2.gz SOLFYZDHGQXVMI-MAUKXSAKSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423227005 279399952 /nfs/dbraw/zinc/39/99/52/279399952.db2.gz TWHODRMXXNULPQ-XHDPSFHLSA-N 2 0 257.381 2.872 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423423326 279402158 /nfs/dbraw/zinc/40/21/58/279402158.db2.gz CAGINOVRMZEORK-COPLHBTASA-N 2 0 277.412 2.586 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000423126683 279402564 /nfs/dbraw/zinc/40/25/64/279402564.db2.gz SIHGPEYFKXGEFT-ZQIUZPCESA-N 2 0 288.435 2.796 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000415067997 279439022 /nfs/dbraw/zinc/43/90/22/279439022.db2.gz LXDPRPYGBJMBGS-PWSUYJOCSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1nc2c(s1)CCCC2 ZINC000333789777 279453329 /nfs/dbraw/zinc/45/33/29/279453329.db2.gz FZOYVRYRBSJKTB-UNXYVOJBSA-N 2 0 279.453 2.942 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335499464 279465670 /nfs/dbraw/zinc/46/56/70/279465670.db2.gz FXPPFBTWGAAGNM-OAHLLOKOSA-N 2 0 276.355 2.549 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423037292 279545118 /nfs/dbraw/zinc/54/51/18/279545118.db2.gz MOTMBHZTNFPOKU-SJWGOKEGSA-N 2 0 292.398 2.776 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423326896 279710066 /nfs/dbraw/zinc/71/00/66/279710066.db2.gz KTFFBERNGLYOTC-KBPBESRZSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423188940 279748786 /nfs/dbraw/zinc/74/87/86/279748786.db2.gz ZWIQULKKKSZFGO-MAUKXSAKSA-N 2 0 287.451 2.510 20 0 CFADRP C[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429400976 288182089 /nfs/dbraw/zinc/18/20/89/288182089.db2.gz FBQOUZXOSSNEPL-SJORKVTESA-N 2 0 293.499 2.667 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)CC[N@@H+]1C ZINC000335010996 280011940 /nfs/dbraw/zinc/01/19/40/280011940.db2.gz DJLHJHNZCJLHFO-DZGCQCFKSA-N 2 0 273.424 2.617 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000335499472 280025775 /nfs/dbraw/zinc/02/57/75/280025775.db2.gz GPEBJSUAEKEGOG-ZBEGNZNMSA-N 2 0 260.356 2.568 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC[NH2+]C1 ZINC000414898141 280158247 /nfs/dbraw/zinc/15/82/47/280158247.db2.gz AQZORSGVICCFSD-XHSDSOJGSA-N 2 0 250.430 2.935 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422882116 280186232 /nfs/dbraw/zinc/18/62/32/280186232.db2.gz PAKIYEKUINXFTI-ZACQAIPSSA-N 3 0 281.488 2.761 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488717 280453736 /nfs/dbraw/zinc/45/37/36/280453736.db2.gz VOMJVEOSNUTTIK-CJNGLKHVSA-N 2 0 274.408 2.891 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000121182750 280620769 /nfs/dbraw/zinc/62/07/69/280620769.db2.gz NGJQKYOFJBSYKW-MSOLQXFVSA-N 2 0 295.515 2.985 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000121678564 280623543 /nfs/dbraw/zinc/62/35/43/280623543.db2.gz VEFYOQCVKNSJJC-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)CC2 ZINC000423062395 280628331 /nfs/dbraw/zinc/62/83/31/280628331.db2.gz MVVSOHNEVGYZTH-SJCJKPOMSA-N 2 0 258.409 2.995 20 0 CFADRP CCn1nccc1C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000125070265 280641540 /nfs/dbraw/zinc/64/15/40/280641540.db2.gz LJZHYPQDTNHNMN-AWEZNQCLSA-N 2 0 266.433 2.503 20 0 CFADRP CC(C)[C@H](C[NH2+]CCC1CCCCC1)N1CC[NH+](C)CC1 ZINC000127350682 280663178 /nfs/dbraw/zinc/66/31/78/280663178.db2.gz LIHAQBXYGOSIDS-SFHVURJKSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000181163161 280817607 /nfs/dbraw/zinc/81/76/07/280817607.db2.gz VHLIXRULVSXLHR-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000186423087 280847215 /nfs/dbraw/zinc/84/72/15/280847215.db2.gz ONUFHOMVJMPEGS-OLMNPRSZSA-N 2 0 294.483 2.923 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000219315576 280933058 /nfs/dbraw/zinc/93/30/58/280933058.db2.gz XIGKYGCMRCBXKM-ZWKOTPCHSA-N 2 0 290.451 2.881 20 0 CFADRP CC[C@H](C)C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245692694 280959186 /nfs/dbraw/zinc/95/91/86/280959186.db2.gz XLNZONCVVBIFKA-KKUMJFAQSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422815300 280970430 /nfs/dbraw/zinc/97/04/30/280970430.db2.gz XGQUZLUSMJWXNC-SQNIBIBYSA-N 2 0 288.435 2.947 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423031101 280975953 /nfs/dbraw/zinc/97/59/53/280975953.db2.gz WOTXXAFBUHEDMV-ZQDZILKHSA-N 2 0 268.445 2.700 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246875389 281000212 /nfs/dbraw/zinc/00/02/12/281000212.db2.gz DSGCKJFMLHOANI-FUHWJXTLSA-N 2 0 272.436 2.939 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C)c2)[C@@H](C)C1 ZINC000246886738 281000292 /nfs/dbraw/zinc/00/02/92/281000292.db2.gz DMIWXYXGOVUWSS-RDJZCZTQSA-N 2 0 260.425 2.857 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000246940844 281001525 /nfs/dbraw/zinc/00/15/25/281001525.db2.gz HQNTYVSDDLOXOB-BRWVUGGUSA-N 2 0 295.515 2.674 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000246948840 281002101 /nfs/dbraw/zinc/00/21/01/281002101.db2.gz HHXWWYQJEUZTPS-YRGRVCCFSA-N 2 0 281.469 2.566 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246944145 281002110 /nfs/dbraw/zinc/00/21/10/281002110.db2.gz HTVJDTPEOFHKQJ-SQNIBIBYSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)([NH+](C)C)C1 ZINC000247067624 281004685 /nfs/dbraw/zinc/00/46/85/281004685.db2.gz ODHAJKPVMOEKKK-QZWWFDLISA-N 2 0 281.488 2.569 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248056085 281017599 /nfs/dbraw/zinc/01/75/99/281017599.db2.gz XMKKKHUULDTNEA-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000248696056 281031498 /nfs/dbraw/zinc/03/14/98/281031498.db2.gz KWRSGTRUMWCZDI-UKRRQHHQSA-N 2 0 292.471 2.939 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)CC3 ZINC000335562256 281034830 /nfs/dbraw/zinc/03/48/30/281034830.db2.gz ATPSSLSKQQCOMW-GXTWGEPZSA-N 2 0 283.419 2.531 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC[C@H]3CCC[NH2+]3)c2c1 ZINC000420234896 281038295 /nfs/dbraw/zinc/03/82/95/281038295.db2.gz HVEAHTHQUOWFOT-CYBMUJFWSA-N 2 0 255.365 2.519 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000248937042 281041118 /nfs/dbraw/zinc/04/11/18/281041118.db2.gz CEVGMJALRJEGOF-JKSUJKDBSA-N 2 0 266.429 2.506 20 0 CFADRP C[C@@H](N[C@@H](C)c1ccnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248993685 281043856 /nfs/dbraw/zinc/04/38/56/281043856.db2.gz OEJOYNPVNIQVCZ-ILXRZTDVSA-N 2 0 290.455 2.724 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000249162595 281050637 /nfs/dbraw/zinc/05/06/37/281050637.db2.gz ZJSOXSMPVHLCMA-SJORKVTESA-N 2 0 290.476 2.994 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000249162592 281050655 /nfs/dbraw/zinc/05/06/55/281050655.db2.gz ZJSOXSMPVHLCMA-IRXDYDNUSA-N 2 0 290.476 2.994 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000437103391 281069645 /nfs/dbraw/zinc/06/96/45/281069645.db2.gz JPEPYAFDAXYTDE-HLLBOEOZSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423496372 281078663 /nfs/dbraw/zinc/07/86/63/281078663.db2.gz WQXFIWAXWQCQKN-YCPHGPKFSA-N 2 0 274.408 2.926 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423450758 281096290 /nfs/dbraw/zinc/09/62/90/281096290.db2.gz XMXIUJZFZVMCDJ-OKZBNKHCSA-N 2 0 270.420 2.960 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000259098593 281111557 /nfs/dbraw/zinc/11/15/57/281111557.db2.gz SAQVERSVIBZBBT-KBPBESRZSA-N 2 0 260.406 2.913 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000268925896 281118181 /nfs/dbraw/zinc/11/81/81/281118181.db2.gz PYWQDDTZCZBWPD-BFYDXBDKSA-N 2 0 276.424 2.664 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000296259436 281142335 /nfs/dbraw/zinc/14/23/35/281142335.db2.gz DFEBQTNSAOAYMF-MXSMSXNCSA-N 2 0 290.451 2.562 20 0 CFADRP Clc1sccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000312751115 281155319 /nfs/dbraw/zinc/15/53/19/281155319.db2.gz WBVAYWKOCFRSQG-JTQLQIEISA-N 2 0 258.818 2.881 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1F ZINC000353397954 281176064 /nfs/dbraw/zinc/17/60/64/281176064.db2.gz YRMABQNNPBDKDA-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000397037234 281200568 /nfs/dbraw/zinc/20/05/68/281200568.db2.gz GJCRSEXJMKUXEB-DCAQKATOSA-N 2 0 252.324 2.695 20 0 CFADRP c1ccc(COCCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420371141 281219503 /nfs/dbraw/zinc/21/95/03/281219503.db2.gz LLXQLPPUYNVVAE-GOSISDBHSA-N 2 0 288.435 2.669 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H](C)C2)cc1 ZINC000420371668 281219534 /nfs/dbraw/zinc/21/95/34/281219534.db2.gz KWLMYARKQAEAIQ-GDBMZVCRSA-N 2 0 276.424 2.860 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000420372528 281220162 /nfs/dbraw/zinc/22/01/62/281220162.db2.gz YCDUPPMAGXWGBR-CQSZACIVSA-N 2 0 282.815 2.697 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422929821 281222322 /nfs/dbraw/zinc/22/23/22/281222322.db2.gz AEGOYDJTRXPLSV-GXTWGEPZSA-N 2 0 278.396 2.626 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422929983 281222579 /nfs/dbraw/zinc/22/25/79/281222579.db2.gz APIJDBPSCDHNNM-WMZOPIPTSA-N 2 0 298.430 2.922 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423011324 281223096 /nfs/dbraw/zinc/22/30/96/281223096.db2.gz IPVMDDBLDVOHKM-ZDUSSCGKSA-N 2 0 277.412 2.620 20 0 CFADRP c1ccc2c(c1)CC(CC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000423010674 281223203 /nfs/dbraw/zinc/22/32/03/281223203.db2.gz HAQSCLBSWBHOOY-JWTNVVGKSA-N 2 0 270.420 2.664 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424371596 281227512 /nfs/dbraw/zinc/22/75/12/281227512.db2.gz DOOQQIPPKLMRNJ-HOTGVXAUSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCC1 ZINC000453103718 281249272 /nfs/dbraw/zinc/24/92/72/281249272.db2.gz CQVOGFDRDRPMJK-SFHVURJKSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459387340 281260644 /nfs/dbraw/zinc/26/06/44/281260644.db2.gz COWJJHMVZAJUOL-OWCLPIDISA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459454576 281265658 /nfs/dbraw/zinc/26/56/58/281265658.db2.gz URQSNLASZAPTKN-INIZCTEOSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423333565 281270177 /nfs/dbraw/zinc/27/01/77/281270177.db2.gz QBAAUTXGKOUKFC-INIZCTEOSA-N 2 0 258.409 2.962 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000516229140 281301022 /nfs/dbraw/zinc/30/10/22/281301022.db2.gz WTKPMVOYOQJGTC-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000515711790 281296725 /nfs/dbraw/zinc/29/67/25/281296725.db2.gz AMVPORNZGBZRQC-VNQPRFMTSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000516449714 281303571 /nfs/dbraw/zinc/30/35/71/281303571.db2.gz LEDYBWJRMQOUSR-INIZCTEOSA-N 2 0 262.397 2.736 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000527652994 281337018 /nfs/dbraw/zinc/33/70/18/281337018.db2.gz HVJZWMOJNZJEIS-UHFFFAOYSA-N 2 0 281.831 2.947 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000374189128 281417370 /nfs/dbraw/zinc/41/73/70/281417370.db2.gz QHACJIPSFWQURZ-JKSUJKDBSA-N 2 0 275.440 2.958 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000531706579 281439301 /nfs/dbraw/zinc/43/93/01/281439301.db2.gz HSBIMXTWUBGTRZ-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP COC(=O)CC1([NH2+]CCC[NH+]2CCCCC2)CCCCC1 ZINC000548392719 281782078 /nfs/dbraw/zinc/78/20/78/281782078.db2.gz MZHUSVHQLDKVDV-UHFFFAOYSA-N 2 0 296.455 2.718 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000558698557 281992267 /nfs/dbraw/zinc/99/22/67/281992267.db2.gz KEQQRTMGZHBQQO-XHSDSOJGSA-N 2 0 250.430 2.887 20 0 CFADRP CCc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)cc[nH+]1 ZINC000560193954 282017554 /nfs/dbraw/zinc/01/75/54/282017554.db2.gz XQHJNWVDZRLCMK-UHFFFAOYSA-N 2 0 261.413 2.955 20 0 CFADRP C[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](C)C3)c2)C1 ZINC000560187034 282017687 /nfs/dbraw/zinc/01/76/87/282017687.db2.gz AOVZRLQHXLFIFE-GJZGRUSLSA-N 2 0 273.424 2.765 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152455783 282034617 /nfs/dbraw/zinc/03/46/17/282034617.db2.gz CFZGISFRHLJSJD-JSGCOSHPSA-N 2 0 291.464 2.903 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCC2 ZINC000335486554 282034772 /nfs/dbraw/zinc/03/47/72/282034772.db2.gz HNGHHLZLENZJGF-WFASDCNBSA-N 2 0 279.453 2.808 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000560582773 282035389 /nfs/dbraw/zinc/03/53/89/282035389.db2.gz HNHQXVOAPNFKBP-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000560892059 282043930 /nfs/dbraw/zinc/04/39/30/282043930.db2.gz JHELGFMRZINNQH-HZPDHXFCSA-N 2 0 276.424 2.612 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000560896829 282043944 /nfs/dbraw/zinc/04/39/44/282043944.db2.gz BRRJQIDMQAJKGR-RYUDHWBXSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000562058376 282065729 /nfs/dbraw/zinc/06/57/29/282065729.db2.gz OEWKCIBNHYILBT-UGFHNGPFSA-N 2 0 298.377 2.931 20 0 CFADRP Cc1cc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000562246679 282069027 /nfs/dbraw/zinc/06/90/27/282069027.db2.gz MUDRDCADNKJZGU-PBHICJAKSA-N 2 0 269.392 2.915 20 0 CFADRP Cc1cc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000562246681 282069354 /nfs/dbraw/zinc/06/93/54/282069354.db2.gz MUDRDCADNKJZGU-WMLDXEAASA-N 2 0 269.392 2.915 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423549476 288599676 /nfs/dbraw/zinc/59/96/76/288599676.db2.gz SDRGADXBXIXRRP-ARLBYUKCSA-N 2 0 273.424 2.683 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000422709909 289460058 /nfs/dbraw/zinc/46/00/58/289460058.db2.gz LEPPMUZAAXHBEC-CZUORRHYSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000415104872 289728725 /nfs/dbraw/zinc/72/87/25/289728725.db2.gz LODGUWKZUKRRDZ-ZHCJQAHYSA-N 2 0 292.467 2.844 20 0 CFADRP c1csc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000035052758 289822660 /nfs/dbraw/zinc/82/26/60/289822660.db2.gz BLZVWRCGOBBBNQ-UHFFFAOYSA-N 2 0 290.436 2.714 20 0 CFADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCOC1 ZINC000334891763 289934660 /nfs/dbraw/zinc/93/46/60/289934660.db2.gz OOVKZRBRKWPPMX-QWHCGFSZSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000334873406 289938482 /nfs/dbraw/zinc/93/84/82/289938482.db2.gz JAEWNUSHLKFPDM-LSDHHAIUSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423250894 289961603 /nfs/dbraw/zinc/96/16/03/289961603.db2.gz REWLDUCKAWZDRV-NWDGAFQWSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1N(C)C ZINC000423385552 290020200 /nfs/dbraw/zinc/02/02/00/290020200.db2.gz RAKCYBOBTIUJPN-HZSPNIEDSA-N 2 0 261.413 2.544 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403330833 290027113 /nfs/dbraw/zinc/02/71/13/290027113.db2.gz FZFYRRNBZRQIHP-DZTUFKMZSA-N 2 0 262.441 2.933 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@H]2CC=CCC2)CC1 ZINC000538421076 290036731 /nfs/dbraw/zinc/03/67/31/290036731.db2.gz HIRUBDIVMBRZGW-HNNXBMFYSA-N 2 0 286.423 2.602 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCSCC1 ZINC000353927406 290053984 /nfs/dbraw/zinc/05/39/84/290053984.db2.gz IPCLHAVKOUHJSB-AEGPPILISA-N 2 0 268.470 2.735 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000562679134 290065802 /nfs/dbraw/zinc/06/58/02/290065802.db2.gz MWDUVEBHPRAXMS-UHFFFAOYSA-N 2 0 287.451 2.734 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000562809309 290076890 /nfs/dbraw/zinc/07/68/90/290076890.db2.gz MUVYGNNJKQKAQG-KRWDZBQOSA-N 2 0 297.402 2.825 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000562956077 290085345 /nfs/dbraw/zinc/08/53/45/290085345.db2.gz CRQRWFXYGPDJTL-UONOGXRCSA-N 2 0 294.439 2.785 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000563135366 290107438 /nfs/dbraw/zinc/10/74/38/290107438.db2.gz LEGGDXLFVUJHKT-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000563136222 290107463 /nfs/dbraw/zinc/10/74/63/290107463.db2.gz MTXFBAGCBKGHIZ-SFHVURJKSA-N 2 0 288.435 2.888 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000563422145 290148585 /nfs/dbraw/zinc/14/85/85/290148585.db2.gz VCGCYQASCQGXIU-HNNXBMFYSA-N 2 0 298.434 2.864 20 0 CFADRP COC(=O)CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000563423389 290148632 /nfs/dbraw/zinc/14/86/32/290148632.db2.gz GGEVCLAQLYWJLD-JYJNAYRXSA-N 2 0 290.407 2.540 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2Cc3ccccc3C2)C1 ZINC000563424891 290149240 /nfs/dbraw/zinc/14/92/40/290149240.db2.gz MYFSWYXTGJSXPS-DLBZAZTESA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000563427598 290150019 /nfs/dbraw/zinc/15/00/19/290150019.db2.gz YNJKSYQHNHYIIZ-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000563444823 290152857 /nfs/dbraw/zinc/15/28/57/290152857.db2.gz RGQXMMGLKLTHCE-UONOGXRCSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000563616111 290163757 /nfs/dbraw/zinc/16/37/57/290163757.db2.gz ZHHAUOCINYDHCH-LLVKDONJSA-N 2 0 261.413 2.936 20 0 CFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000564203472 290196186 /nfs/dbraw/zinc/19/61/86/290196186.db2.gz GEGKHMJPPIUTGN-YJBOKZPZSA-N 2 0 290.451 2.615 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC(C)(C)C2)CC1 ZINC000564264300 290199787 /nfs/dbraw/zinc/19/97/87/290199787.db2.gz NQUOPLTZSZQSHY-AWEZNQCLSA-N 2 0 288.439 2.824 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000564416131 290207812 /nfs/dbraw/zinc/20/78/12/290207812.db2.gz YUOYEEYONQWEFS-AEFFLSMTSA-N 2 0 293.499 2.596 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000564722402 290226486 /nfs/dbraw/zinc/22/64/86/290226486.db2.gz LNJRABGZQPMSNV-OLZOCXBDSA-N 2 0 296.377 2.544 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564722721 290226684 /nfs/dbraw/zinc/22/66/84/290226684.db2.gz REYJZQPQEDOKAE-FSPWUOQZSA-N 2 0 288.435 2.776 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423497763 290227488 /nfs/dbraw/zinc/22/74/88/290227488.db2.gz ZIMOHEIADJGDBP-XEZPLFJOSA-N 2 0 296.842 2.800 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226907 290285565 /nfs/dbraw/zinc/28/55/65/290285565.db2.gz RSSXSJLIGCQQCN-BJJXKVORSA-N 2 0 259.397 2.506 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)C1 ZINC000566020017 290342439 /nfs/dbraw/zinc/34/24/39/290342439.db2.gz ABBKARLXYCGWJA-QLFBSQMISA-N 2 0 291.414 2.654 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566089420 290346881 /nfs/dbraw/zinc/34/68/81/290346881.db2.gz RPMVBARWTTYEGD-IUODEOHRSA-N 2 0 298.377 2.808 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000566089300 290347092 /nfs/dbraw/zinc/34/70/92/290347092.db2.gz UJQSGGAPQUGYHY-OPFPJEHXSA-N 2 0 264.417 2.632 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000566089117 290347236 /nfs/dbraw/zinc/34/72/36/290347236.db2.gz QDIHNQVGXCDHJR-DOTOQJQBSA-N 2 0 283.419 2.884 20 0 CFADRP Cc1ccc(C[C@H]2CCCN(CC(C)(C)[NH3+])C2)cc1 ZINC000566230630 290360926 /nfs/dbraw/zinc/36/09/26/290360926.db2.gz UWGZPEOJATUIEW-MRXNPFEDSA-N 2 0 260.425 2.987 20 0 CFADRP Fc1cccc(CN2CCN(c3ncc[nH]3)CC2)c1Cl ZINC000566415281 290380101 /nfs/dbraw/zinc/38/01/01/290380101.db2.gz AHWBBTFJUBOLCR-UHFFFAOYSA-N 2 0 294.761 2.524 20 0 CFADRP CC[N@H+](CCCc1cncn1C)CCc1cccs1 ZINC000566419142 290381934 /nfs/dbraw/zinc/38/19/34/290381934.db2.gz QJSNTZHAFJPTDH-UHFFFAOYSA-N 2 0 277.437 2.979 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094365741 290387285 /nfs/dbraw/zinc/38/72/85/290387285.db2.gz LSLNRORWFIPUCP-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000566529175 290397688 /nfs/dbraw/zinc/39/76/88/290397688.db2.gz FJEABCYJRWFZDZ-WLYUNCDWSA-N 2 0 268.445 2.652 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 ZINC000566614305 290404807 /nfs/dbraw/zinc/40/48/07/290404807.db2.gz BTVOIYPABLFNSL-SFHVURJKSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000567102475 290438352 /nfs/dbraw/zinc/43/83/52/290438352.db2.gz CQSWYMHBWLYCBV-LBPRGKRZSA-N 2 0 286.366 2.938 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000567471810 290466138 /nfs/dbraw/zinc/46/61/38/290466138.db2.gz HYOBRDXFIPSEDM-CYBMUJFWSA-N 2 0 273.424 2.993 20 0 CFADRP Cc1[nH+]c2ccccc2c(N[C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000568089216 290523053 /nfs/dbraw/zinc/52/30/53/290523053.db2.gz MMVMHZVOXIFDDB-MNOVXSKESA-N 2 0 257.381 2.811 20 0 CFADRP COc1ccc(C2([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000569019774 290582983 /nfs/dbraw/zinc/58/29/83/290582983.db2.gz OHNRDPCTSHLIRJ-KGLIPLIRSA-N 2 0 260.381 2.544 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000480037136 293089870 /nfs/dbraw/zinc/08/98/70/293089870.db2.gz PRNCTFDLHQEUGD-ZDUSSCGKSA-N 2 0 270.461 2.946 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000371519962 293154317 /nfs/dbraw/zinc/15/43/17/293154317.db2.gz PAQKJZCNDDFEHU-SQNIBIBYSA-N 2 0 290.451 2.940 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423545936 293440030 /nfs/dbraw/zinc/44/00/30/293440030.db2.gz PPRUBXQGZCRFJD-KYEXWDHISA-N 2 0 291.464 2.807 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000360837334 294235752 /nfs/dbraw/zinc/23/57/52/294235752.db2.gz PGNNNYMPRXOACW-CABCVRRESA-N 2 0 294.439 2.703 20 0 CFADRP Cn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(-c2ccccc2)n1 ZINC000423030412 294241250 /nfs/dbraw/zinc/24/12/50/294241250.db2.gz JPIWZUSXVGEYNP-RDJZCZTQSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCC(C)(C)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372112937 297073930 /nfs/dbraw/zinc/07/39/30/297073930.db2.gz LZFZTUZYKQTYJP-IKGGRYGDSA-N 2 0 293.499 2.523 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414840220 533693830 /nfs/dbraw/zinc/69/38/30/533693830.db2.gz YGTRAGOWVIIREE-JSGCOSHPSA-N 2 0 252.427 2.658 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422913155 294474348 /nfs/dbraw/zinc/47/43/48/294474348.db2.gz PBXSULPDZPAUHR-HFAKWTLXSA-N 2 0 282.815 2.614 20 0 CFADRP FCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000423146633 294723907 /nfs/dbraw/zinc/72/39/07/294723907.db2.gz AZXOUUPTVWJMRL-HRCADAONSA-N 2 0 298.446 2.653 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549159 295108967 /nfs/dbraw/zinc/10/89/67/295108967.db2.gz HLCGOHBXNNYPAO-CQSZACIVSA-N 2 0 274.408 2.964 20 0 CFADRP C[C@H]1CCC[C@](CNC(=O)CCCCCC[NH3+])([NH+](C)C)C1 ZINC000040670689 299909022 /nfs/dbraw/zinc/90/90/22/299909022.db2.gz ZRIVBBIBQUJUHF-RDJZCZTQSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCCCC1 ZINC000423174995 295209275 /nfs/dbraw/zinc/20/92/75/295209275.db2.gz CNXXPOWEAKOLGI-KFWWJZLASA-N 2 0 278.440 2.585 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000160092220 295237463 /nfs/dbraw/zinc/23/74/63/295237463.db2.gz XTYWLSFMMDFSKD-DUVNUKRYSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423392225 295239746 /nfs/dbraw/zinc/23/97/46/295239746.db2.gz LMEKXHGJZONKBK-VWPFQQQWSA-N 2 0 276.424 2.775 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423110549 295248405 /nfs/dbraw/zinc/24/84/05/295248405.db2.gz PCTZQEXTKAZCTO-QWRGUYRKSA-N 2 0 264.335 2.826 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423110547 295268264 /nfs/dbraw/zinc/26/82/64/295268264.db2.gz PCTZQEXTKAZCTO-GHMZBOCLSA-N 2 0 264.335 2.826 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH3+])CCCS2 ZINC000423330613 295274043 /nfs/dbraw/zinc/27/40/43/295274043.db2.gz PJWVZOGHKSWERI-CQSZACIVSA-N 2 0 280.437 2.951 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000423015873 295297337 /nfs/dbraw/zinc/29/73/37/295297337.db2.gz LQLYCZROVUGHCK-NXEZZACHSA-N 2 0 270.364 2.532 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000423368276 295306359 /nfs/dbraw/zinc/30/63/59/295306359.db2.gz DGYBKBMUFODHSO-UMVBOHGHSA-N 2 0 278.371 2.899 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000332300151 295306607 /nfs/dbraw/zinc/30/66/07/295306607.db2.gz NCJGXGJXGNXERO-LALPHHSUSA-N 2 0 260.381 2.629 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000422754778 295332869 /nfs/dbraw/zinc/33/28/69/295332869.db2.gz GDXBMJBDPZRWER-HOTGVXAUSA-N 2 0 268.445 2.975 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422730211 295332963 /nfs/dbraw/zinc/33/29/63/295332963.db2.gz JHGDKCJLVYNODV-DOTOQJQBSA-N 2 0 271.408 2.960 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261595674 295365121 /nfs/dbraw/zinc/36/51/21/295365121.db2.gz IGLHBQBMJLJZEC-PMPSAXMXSA-N 2 0 290.451 2.946 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400996516 295365364 /nfs/dbraw/zinc/36/53/64/295365364.db2.gz JCUHPCCCJBSRON-PQEBFOHHSA-N 2 0 288.435 2.604 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423382087 297109754 /nfs/dbraw/zinc/10/97/54/297109754.db2.gz DFRQVSNNXPOKNA-DAXOMENPSA-N 2 0 276.449 2.605 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414703279 297395958 /nfs/dbraw/zinc/39/59/58/297395958.db2.gz JLSQLLXZRYMLLW-GDBMZVCRSA-N 2 0 275.440 2.573 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)[C@@H](C)O1 ZINC000423499095 297444314 /nfs/dbraw/zinc/44/43/14/297444314.db2.gz ALYJZFGQRSOZHH-VDERGJSUSA-N 2 0 262.397 2.622 20 0 CFADRP C[C@@]1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCC[NH2+]C1 ZINC000423345976 297900064 /nfs/dbraw/zinc/90/00/64/297900064.db2.gz PIFPBOREOHUGQG-IAGOWNOFSA-N 2 0 273.424 2.902 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422962262 298398706 /nfs/dbraw/zinc/39/87/06/298398706.db2.gz CJHHWRIOVLAJMC-ZBFHGGJFSA-N 2 0 278.440 2.506 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422730342 298398722 /nfs/dbraw/zinc/39/87/22/298398722.db2.gz JQJZFYAREAYSHU-KGLIPLIRSA-N 2 0 281.469 2.602 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000422902308 298398795 /nfs/dbraw/zinc/39/87/95/298398795.db2.gz MSOFCTCVFKULMD-HYVNUMGLSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340233521 298619016 /nfs/dbraw/zinc/61/90/16/298619016.db2.gz DLXSBFNIJKNPRD-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000246880737 298787204 /nfs/dbraw/zinc/78/72/04/298787204.db2.gz KISHBGKOOCVZGU-YYIAUSFCSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000449124301 299004795 /nfs/dbraw/zinc/00/47/95/299004795.db2.gz FZMLHNGKNONRFO-WHOFXGATSA-N 2 0 275.396 2.552 20 0 CFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)C[NH3+])CCCO2 ZINC000423300430 301443833 /nfs/dbraw/zinc/44/38/33/301443833.db2.gz RPKCHIAJLPPRLG-ABAIWWIYSA-N 2 0 262.397 2.702 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000415085236 301977257 /nfs/dbraw/zinc/97/72/57/301977257.db2.gz SDPAHPSGHQURDS-JKSUJKDBSA-N 2 0 276.424 2.660 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000415112342 302093991 /nfs/dbraw/zinc/09/39/91/302093991.db2.gz RTFBBWLBIXVLDR-OAHLLOKOSA-N 2 0 258.409 2.616 20 0 CFADRP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000420390613 302182756 /nfs/dbraw/zinc/18/27/56/302182756.db2.gz ABCOIKQZBUMHJP-SFHVURJKSA-N 2 0 289.467 2.577 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058874 302201984 /nfs/dbraw/zinc/20/19/84/302201984.db2.gz KMVJAMDYHLZATG-AHCXZYCDSA-N 2 0 289.467 2.716 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000423056477 302208689 /nfs/dbraw/zinc/20/86/89/302208689.db2.gz FYBYUEACVVKTAE-JKQORVJESA-N 2 0 277.456 2.702 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000178974685 302220746 /nfs/dbraw/zinc/22/07/46/302220746.db2.gz CCNGIMLYISTRQS-CRAIPNDOSA-N 2 0 288.435 2.756 20 0 CFADRP FC(F)(F)SCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261580358 303116086 /nfs/dbraw/zinc/11/60/86/303116086.db2.gz PYVYLOHGTZVTEV-GMTAPVOTSA-N 2 0 282.375 2.750 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149163 303128813 /nfs/dbraw/zinc/12/88/13/303128813.db2.gz XGZSSUYHCUOVBL-HWMZRRJGSA-N 2 0 290.382 2.723 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423239214 303133108 /nfs/dbraw/zinc/13/31/08/303133108.db2.gz AZMWWFVYKOJPSW-DOMZBBRYSA-N 2 0 278.371 2.629 20 0 CFADRP Fc1cccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178957757 303134760 /nfs/dbraw/zinc/13/47/60/303134760.db2.gz YOESRJUFKAENOU-INIZCTEOSA-N 2 0 262.372 2.962 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000422884955 303371000 /nfs/dbraw/zinc/37/10/00/303371000.db2.gz GDWPCOSCBWWVDF-SLTAFYQDSA-N 2 0 274.408 2.660 20 0 CFADRP [NH3+]CCCN(CCC[NH+]1CCCCC1)CC1CCCC1 ZINC000420321449 303377850 /nfs/dbraw/zinc/37/78/50/303377850.db2.gz VFAWQOBJKMDEGO-UHFFFAOYSA-N 2 0 281.488 2.703 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000423002192 303408405 /nfs/dbraw/zinc/40/84/05/303408405.db2.gz YMGISRHXZGZKFA-JKSUJKDBSA-N 2 0 258.409 2.726 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334848815 303486061 /nfs/dbraw/zinc/48/60/61/303486061.db2.gz KXUQJFHYAOIWKS-GJZGRUSLSA-N 2 0 280.456 2.833 20 0 CFADRP OCC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000162460984 304827252 /nfs/dbraw/zinc/82/72/52/304827252.db2.gz SFBCCTLBEYINHL-KRWDZBQOSA-N 2 0 282.472 2.783 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423535620 304854809 /nfs/dbraw/zinc/85/48/09/304854809.db2.gz DSLLXBJZRPMLOZ-GOSISDBHSA-N 2 0 270.420 2.907 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnccn1 ZINC000164625237 322383270 /nfs/dbraw/zinc/38/32/70/322383270.db2.gz PZCDIVUINIAFAS-OAHLLOKOSA-N 2 0 276.428 2.783 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000164867313 322383789 /nfs/dbraw/zinc/38/37/89/322383789.db2.gz WWEGAYNYAQINFW-MWDXBVQZSA-N 2 0 281.488 2.569 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000166201734 322386069 /nfs/dbraw/zinc/38/60/69/322386069.db2.gz CALCPQCVYPZAPW-QZTJIDSGSA-N 2 0 272.436 2.938 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168317530 322389068 /nfs/dbraw/zinc/38/90/68/322389068.db2.gz FIMGEQAWSNSXHF-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000569673894 322488944 /nfs/dbraw/zinc/48/89/44/322488944.db2.gz VAZLHVZCCMHQME-SMDDNHRTSA-N 2 0 290.436 2.745 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000569744829 322494081 /nfs/dbraw/zinc/49/40/81/322494081.db2.gz QAKPXYFLYSTIDQ-ILXRZTDVSA-N 2 0 293.842 2.778 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000569835986 322500097 /nfs/dbraw/zinc/50/00/97/322500097.db2.gz QEGGZKXZRPAOGK-ZDUSSCGKSA-N 2 0 260.381 2.574 20 0 CFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000570626375 322541983 /nfs/dbraw/zinc/54/19/83/322541983.db2.gz KNGGVJJNFIDWGW-IWCVFHTOSA-N 2 0 290.451 2.613 20 0 CFADRP COc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000571313122 322579044 /nfs/dbraw/zinc/57/90/44/322579044.db2.gz UYKDNXPUCQGATL-QGZVFWFLSA-N 2 0 274.408 2.736 20 0 CFADRP C[C@H]([NH3+])c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000571432604 322583368 /nfs/dbraw/zinc/58/33/68/322583368.db2.gz PTJWQYRYPXNFQI-AWEZNQCLSA-N 2 0 262.397 2.961 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000573371486 322653739 /nfs/dbraw/zinc/65/37/39/322653739.db2.gz CXEMQIORFVPUDB-RCCFBDPRSA-N 3 0 287.451 2.546 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H](C)O ZINC000573479211 322658100 /nfs/dbraw/zinc/65/81/00/322658100.db2.gz UOHAGJGPBISVTQ-CVEARBPZSA-N 2 0 290.451 2.777 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573815582 322670157 /nfs/dbraw/zinc/67/01/57/322670157.db2.gz SJPBNMPWSDQMPA-QAETUUGQSA-N 3 0 281.488 2.747 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000574031779 322677917 /nfs/dbraw/zinc/67/79/17/322677917.db2.gz ZQMIDTMXSNUGMX-XHSDSOJGSA-N 2 0 262.397 2.641 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000182958044 323890692 /nfs/dbraw/zinc/89/06/92/323890692.db2.gz GYTNXHWGLLDTCR-QZTJIDSGSA-N 2 0 293.499 2.526 20 0 CFADRP COC[C@@H](C)C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000188568573 324018190 /nfs/dbraw/zinc/01/81/90/324018190.db2.gz UZXSWOHWSDVAME-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H]1c1ccccc1 ZINC000191951163 324055881 /nfs/dbraw/zinc/05/58/81/324055881.db2.gz FNWRPESUCQOSGH-IRXDYDNUSA-N 2 0 276.424 2.838 20 0 CFADRP C[N@@H+]1CCC[C@H](CNCc2cnc(-c3ccco3)s2)C1 ZINC000193095682 324068879 /nfs/dbraw/zinc/06/88/79/324068879.db2.gz OMSGDEOGUBLPIE-GFCCVEGCSA-N 2 0 291.420 2.835 20 0 CFADRP CCC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211951125 324110036 /nfs/dbraw/zinc/11/00/36/324110036.db2.gz QGEWXSUOVPKVEP-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCCSC1 ZINC000384160409 324443667 /nfs/dbraw/zinc/44/36/67/324443667.db2.gz RJPCENPJLCOSNM-BYNSBNAKSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000386153473 324474677 /nfs/dbraw/zinc/47/46/77/324474677.db2.gz SPHXKNLXLVPZRP-PBHICJAKSA-N 2 0 291.439 2.570 20 0 CFADRP COC(=O)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000387273510 324490363 /nfs/dbraw/zinc/49/03/63/324490363.db2.gz DWKFAEUSPJLCPN-UHFFFAOYSA-N 2 0 292.423 2.683 20 0 CFADRP OCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000577482200 324741616 /nfs/dbraw/zinc/74/16/16/324741616.db2.gz JZIAJJZCKHQAHQ-FGTMMUONSA-N 2 0 288.435 2.579 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000577484384 324742766 /nfs/dbraw/zinc/74/27/66/324742766.db2.gz QPBOTWZWECWEHM-YLVFBTJISA-N 2 0 273.424 2.936 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578237145 324831362 /nfs/dbraw/zinc/83/13/62/324831362.db2.gz BCXSIQQFAQAHGJ-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP c1ccc(-c2ncc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000578330182 324840592 /nfs/dbraw/zinc/84/05/92/324840592.db2.gz QITMABVXBULJCM-QGZVFWFLSA-N 2 0 296.418 2.765 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000579461627 324952153 /nfs/dbraw/zinc/95/21/53/324952153.db2.gz KVDAQCDKPBNUJJ-WBVHZDCISA-N 2 0 276.424 2.744 20 0 CFADRP c1nc(C2CC2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000579473216 324953139 /nfs/dbraw/zinc/95/31/39/324953139.db2.gz LQNPFRUQQLQREV-CQSZACIVSA-N 2 0 291.464 2.842 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1OC ZINC000580075347 325004756 /nfs/dbraw/zinc/00/47/56/325004756.db2.gz GKBKIGGHGQNVQJ-CVEARBPZSA-N 2 0 276.424 2.829 20 0 CFADRP C1CC2(CCOCC2)[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000580218876 325018283 /nfs/dbraw/zinc/01/82/83/325018283.db2.gz HDSSVDMFHCLTJL-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP Fc1ccc(/C=C\C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000580311200 325024006 /nfs/dbraw/zinc/02/40/06/325024006.db2.gz AVLQVCCWVFQEDO-QZLXFXEDSA-N 2 0 274.383 2.770 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000580326743 325026665 /nfs/dbraw/zinc/02/66/65/325026665.db2.gz YKFUARPOEDBMIZ-VXGBXAGGSA-N 2 0 262.397 2.616 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000580551661 325045161 /nfs/dbraw/zinc/04/51/61/325045161.db2.gz XUVWSKYRUAAGNZ-AWEZNQCLSA-N 2 0 284.407 2.556 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000580620198 325051265 /nfs/dbraw/zinc/05/12/65/325051265.db2.gz WVVZPSVAKTUFPK-ARFHVFGLSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000580777184 325063247 /nfs/dbraw/zinc/06/32/47/325063247.db2.gz LUJLLCZKJMWWRB-NVXWUHKLSA-N 2 0 294.483 2.639 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cn2ccccc2n1 ZINC000580784680 325064527 /nfs/dbraw/zinc/06/45/27/325064527.db2.gz ZGLKEGRQCYYVAJ-GJZGRUSLSA-N 2 0 286.423 2.717 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1cccc(OC2CCCC2)c1 ZINC000581011970 325082860 /nfs/dbraw/zinc/08/28/60/325082860.db2.gz ULVPQLXGGTZDAE-UHFFFAOYSA-N 2 0 262.397 2.789 20 0 CFADRP F[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000581131668 325093793 /nfs/dbraw/zinc/09/37/93/325093793.db2.gz YLHNNWUMCYZHFF-DZGCQCFKSA-N 2 0 254.393 2.731 20 0 CFADRP Cc1nc(C2([NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)CCCCC2)no1 ZINC000581238611 325102762 /nfs/dbraw/zinc/10/27/62/325102762.db2.gz YHUCVNHTVLDRMF-JSGCOSHPSA-N 2 0 292.427 2.515 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000581440190 325122310 /nfs/dbraw/zinc/12/23/10/325122310.db2.gz YKHBGLRLHPGVLW-JTQLQIEISA-N 2 0 285.229 2.975 20 0 CFADRP CSc1ccccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000581553664 325131498 /nfs/dbraw/zinc/13/14/98/325131498.db2.gz ZPBMRFMKGAYYCC-UHFFFAOYSA-N 2 0 264.438 2.969 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000581661126 325140247 /nfs/dbraw/zinc/14/02/47/325140247.db2.gz NWJBUTUAYFUJSQ-JTQLQIEISA-N 2 0 254.324 2.615 20 0 CFADRP C[C@@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000582600317 325217926 /nfs/dbraw/zinc/21/79/26/325217926.db2.gz RLHFLSXMZGXORR-UHOFOFEASA-N 2 0 295.858 2.673 20 0 CFADRP C[C@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000582600318 325218030 /nfs/dbraw/zinc/21/80/30/325218030.db2.gz RLHFLSXMZGXORR-VBNZEHGJSA-N 2 0 295.858 2.673 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000582660482 325223442 /nfs/dbraw/zinc/22/34/42/325223442.db2.gz YOCJYEUNOSNWBH-FCCDEINASA-N 2 0 288.435 2.841 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000582659986 325223462 /nfs/dbraw/zinc/22/34/62/325223462.db2.gz BZNDVRJGWRLONY-CYBMUJFWSA-N 2 0 295.402 2.521 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000582857008 325241138 /nfs/dbraw/zinc/24/11/38/325241138.db2.gz WMUIUZJSVFORAF-RCCFBDPRSA-N 2 0 290.451 2.884 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000583137908 325262882 /nfs/dbraw/zinc/26/28/82/325262882.db2.gz RBDXHTZNKKKNBJ-GXTWGEPZSA-N 2 0 264.438 2.844 20 0 CFADRP CCCOc1cccc(CN(C)CCC[NH+](C)C)c1 ZINC000583255795 325272350 /nfs/dbraw/zinc/27/23/50/325272350.db2.gz APJUTDCEYFCXFH-UHFFFAOYSA-N 2 0 264.413 2.859 20 0 CFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(CC[NH3+])CC1 ZINC000583325576 325277826 /nfs/dbraw/zinc/27/78/26/325277826.db2.gz RDPKTZYBVCHSAD-HNNXBMFYSA-N 2 0 260.425 2.926 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000583515676 325293930 /nfs/dbraw/zinc/29/39/30/325293930.db2.gz NTAYLYZJSUGKRO-KSZLIROESA-N 2 0 288.435 2.966 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000583823380 325313662 /nfs/dbraw/zinc/31/36/62/325313662.db2.gz VKQHQZCWHKZJQZ-ROUUACIJSA-N 3 0 289.467 2.888 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CO1 ZINC000584231818 325339814 /nfs/dbraw/zinc/33/98/14/325339814.db2.gz RWQNKEXOGPZIRI-OHFALNGGSA-N 2 0 280.456 2.797 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000584361301 329102464 /nfs/dbraw/zinc/10/24/64/329102464.db2.gz KMMOZUKNYWSWPS-ZNMIVQPWSA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246067317 519677986 /nfs/dbraw/zinc/67/79/86/519677986.db2.gz ZQQFNFVKTPBGNN-HUUCEWRRSA-N 2 0 298.471 2.817 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000361239793 519777440 /nfs/dbraw/zinc/77/74/40/519777440.db2.gz YEWMKYOGQFKRGS-OAGGEKHMSA-N 2 0 282.472 2.900 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCOCC(F)(F)F)CC1 ZINC000158077392 519844111 /nfs/dbraw/zinc/84/41/11/519844111.db2.gz MIYAZOVWIRQYEO-UHFFFAOYSA-N 2 0 296.377 2.762 20 0 CFADRP CC(C)([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccnc(Cl)c1 ZINC001154989886 782143648 /nfs/dbraw/zinc/14/36/48/782143648.db2.gz WIWAILDBRSPPCE-VXGBXAGGSA-N 2 0 267.804 2.830 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1Br ZINC000423167326 533730796 /nfs/dbraw/zinc/73/07/96/533730796.db2.gz SCIYRSIHDDGSDA-GHMZBOCLSA-N 2 0 285.229 2.973 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423178236 533754674 /nfs/dbraw/zinc/75/46/74/533754674.db2.gz IDQOSZGTAJGQBM-QXRTWZOPSA-N 2 0 288.435 2.919 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423188793 533755300 /nfs/dbraw/zinc/75/53/00/533755300.db2.gz QJSVJEMXTSKPON-HLSYRSCKSA-N 2 0 262.397 2.514 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423181662 533756960 /nfs/dbraw/zinc/75/69/60/533756960.db2.gz LIUFFMGEPALVKE-FZCLSBEQSA-N 2 0 288.435 2.906 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000415012563 533761274 /nfs/dbraw/zinc/76/12/74/533761274.db2.gz JJXFEMFNBXNNAV-UONOGXRCSA-N 2 0 294.439 2.742 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1C ZINC000422791218 533769622 /nfs/dbraw/zinc/76/96/22/533769622.db2.gz VSVZROWZRBTWBG-HZPDHXFCSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414871565 533771673 /nfs/dbraw/zinc/77/16/73/533771673.db2.gz DERODBSZALSXMG-NSHDSACASA-N 2 0 262.328 2.770 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422894472 533792886 /nfs/dbraw/zinc/79/28/86/533792886.db2.gz CIYLEBTYQXYAQS-LBPRGKRZSA-N 2 0 282.815 2.615 20 0 CFADRP C[C@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)C1C[NH2+]C1 ZINC000423096460 533793948 /nfs/dbraw/zinc/79/39/48/533793948.db2.gz OWSIFHSGXHWVAP-ISAOAKOHSA-N 2 0 282.790 2.865 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423166170 533806504 /nfs/dbraw/zinc/80/65/04/533806504.db2.gz QTUJNTBCPYVPHU-FGTMMUONSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(-n2cccn2)c1 ZINC000415087868 533806992 /nfs/dbraw/zinc/80/69/92/533806992.db2.gz VLKOUACYLSZPKG-JEYLPNPQSA-N 2 0 284.407 2.793 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000422704880 533807818 /nfs/dbraw/zinc/80/78/18/533807818.db2.gz QNDMLCUGYYQFDX-IRXDYDNUSA-N 2 0 260.425 2.953 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC(F)(F)F)cc1 ZINC000422808532 533812709 /nfs/dbraw/zinc/81/27/09/533812709.db2.gz OGZMQPQUNKSXHV-JTQLQIEISA-N 2 0 288.313 2.988 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCOc2ccccc2F)CC[NH2+]1 ZINC000414682715 533835748 /nfs/dbraw/zinc/83/57/48/533835748.db2.gz RUDBUVOHRDZGCG-ZIAGYGMSSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422739897 533840598 /nfs/dbraw/zinc/84/05/98/533840598.db2.gz AQHQQEKZQZVGFM-DFBDCSAJSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2ccccc2F)CC1 ZINC000422939890 533842921 /nfs/dbraw/zinc/84/29/21/533842921.db2.gz GGIBEFOGHZGCIJ-GFCCVEGCSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000422880729 533845409 /nfs/dbraw/zinc/84/54/09/533845409.db2.gz MNJLAAGJSWRRNS-JKSUJKDBSA-N 3 0 269.477 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000422707986 533845656 /nfs/dbraw/zinc/84/56/56/533845656.db2.gz BDCXLEYUOXDPBP-HZPDHXFCSA-N 2 0 289.467 2.540 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)c1ccccc1 ZINC000422867210 533846590 /nfs/dbraw/zinc/84/65/90/533846590.db2.gz RVJNUVUSDQJDLU-CABCVRRESA-N 2 0 263.429 2.618 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422800484 533847387 /nfs/dbraw/zinc/84/73/87/533847387.db2.gz BYAFIYSWGXZTLM-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422955259 533844517 /nfs/dbraw/zinc/84/45/17/533844517.db2.gz LHCHARCLOPTFAU-GFCCVEGCSA-N 2 0 281.469 2.672 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000422964762 533850459 /nfs/dbraw/zinc/85/04/59/533850459.db2.gz JJHRXRAECLTTLS-BXUZGUMPSA-N 2 0 266.360 2.756 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414805841 533861123 /nfs/dbraw/zinc/86/11/23/533861123.db2.gz YUVLQDYNRMRBLZ-GXFFZTMASA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)N[C@@H](C)c1ccccc1 ZINC000422725287 533868692 /nfs/dbraw/zinc/86/86/92/533868692.db2.gz BCHPDBJSGANHAN-CABCVRRESA-N 2 0 277.456 2.833 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCSCc1ccccc1F ZINC000422754883 533868200 /nfs/dbraw/zinc/86/82/00/533868200.db2.gz BACFQAXJSOPULA-GFCCVEGCSA-N 2 0 270.417 2.776 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[NH2+]1 ZINC000422832795 533867983 /nfs/dbraw/zinc/86/79/83/533867983.db2.gz FYVKVSLRYRZDIO-BLLLJJGKSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415025963 533871827 /nfs/dbraw/zinc/87/18/27/533871827.db2.gz SGJJJMOFPKXERR-SNVBAGLBSA-N 2 0 253.415 2.628 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000422740171 533869055 /nfs/dbraw/zinc/86/90/55/533869055.db2.gz AXJKXLUYVBINAC-HZPDHXFCSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422737093 533869945 /nfs/dbraw/zinc/86/99/45/533869945.db2.gz HKRKXJHENUEIIU-LLVKDONJSA-N 2 0 269.458 2.700 20 0 CFADRP C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422891151 533879471 /nfs/dbraw/zinc/87/94/71/533879471.db2.gz KDOXYWKIWAARCF-UAGQMJEPSA-N 2 0 281.488 2.617 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)ccc1C ZINC000415087687 533901072 /nfs/dbraw/zinc/90/10/72/533901072.db2.gz WITWPQUWHQBTGD-UKRRQHHQSA-N 2 0 262.397 2.624 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1C ZINC000414808674 533905726 /nfs/dbraw/zinc/90/57/26/533905726.db2.gz SMSCTKKYZAGDBM-GJZGRUSLSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000414857190 533915794 /nfs/dbraw/zinc/91/57/94/533915794.db2.gz PCBUJAULQZHFQI-AAEUAGOBSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccnn1C ZINC000192619509 533917327 /nfs/dbraw/zinc/91/73/27/533917327.db2.gz XKFZQKVSCUEGKZ-HNNXBMFYSA-N 2 0 298.434 2.867 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414778513 533930687 /nfs/dbraw/zinc/93/06/87/533930687.db2.gz IYLNKLJLEOIXLK-CVEARBPZSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000414849002 533932025 /nfs/dbraw/zinc/93/20/25/533932025.db2.gz HAHVQMBLRNCXKT-DZGCQCFKSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422841725 533967411 /nfs/dbraw/zinc/96/74/11/533967411.db2.gz WSQTVNMCPOEFEJ-BGTYHANMSA-N 2 0 287.451 2.509 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422690888 533968649 /nfs/dbraw/zinc/96/86/49/533968649.db2.gz HGYYVEBCCOPVTN-DCAQKATOSA-N 2 0 254.349 2.611 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000422885311 533972753 /nfs/dbraw/zinc/97/27/53/533972753.db2.gz UDXPLVSYKHSHDS-UWVGGRQHSA-N 2 0 270.323 2.547 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000422735062 533975282 /nfs/dbraw/zinc/97/52/82/533975282.db2.gz UKRVQHYVTSZHHG-OBJOEFQTSA-N 2 0 250.361 2.864 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423248276 533982075 /nfs/dbraw/zinc/98/20/75/533982075.db2.gz MUUZCUSTXQZKMB-OLZOCXBDSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425916659 533988881 /nfs/dbraw/zinc/98/88/81/533988881.db2.gz BQXBKDWMSOHHLT-UONOGXRCSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]CCC[NH2+]C1CC1 ZINC000415073619 533991544 /nfs/dbraw/zinc/99/15/44/533991544.db2.gz YXISTZGSDNHGNH-OAHLLOKOSA-N 2 0 260.425 2.987 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000425342414 533989829 /nfs/dbraw/zinc/98/98/29/533989829.db2.gz HENUGJUFWDUZJJ-LSDHHAIUSA-N 2 0 282.428 2.871 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000425365875 533990163 /nfs/dbraw/zinc/99/01/63/533990163.db2.gz YUMKBAFZHJHAAK-LSDHHAIUSA-N 2 0 282.428 2.871 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422843401 534000689 /nfs/dbraw/zinc/00/06/89/534000689.db2.gz IDJBJEWWLXRLAL-GDBMZVCRSA-N 2 0 288.435 2.834 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422755951 534046329 /nfs/dbraw/zinc/04/63/29/534046329.db2.gz IHLCNOYMAMWADS-QAPCUYQASA-N 2 0 298.430 2.786 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414871564 534048543 /nfs/dbraw/zinc/04/85/43/534048543.db2.gz DERODBSZALSXMG-LLVKDONJSA-N 2 0 262.328 2.770 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414871066 534049058 /nfs/dbraw/zinc/04/90/58/534049058.db2.gz CTBFRVJGDIYVGP-LLVKDONJSA-N 2 0 282.815 2.813 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1F ZINC000422787011 534054465 /nfs/dbraw/zinc/05/44/65/534054465.db2.gz LMDBRURXACDCOB-HSBZDZAISA-N 2 0 280.387 2.700 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000414831207 534059776 /nfs/dbraw/zinc/05/97/76/534059776.db2.gz MVKXBIFUGCFNQG-LBPRGKRZSA-N 2 0 252.789 2.738 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423248595 534064897 /nfs/dbraw/zinc/06/48/97/534064897.db2.gz NNEPNHPJGLQZJJ-WQGACYEGSA-N 2 0 262.372 2.648 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000422936535 534068612 /nfs/dbraw/zinc/06/86/12/534068612.db2.gz IOHOOXKLWDAUHJ-PWSUYJOCSA-N 2 0 272.845 2.922 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422760190 534069888 /nfs/dbraw/zinc/06/98/88/534069888.db2.gz KPDWJVCEKFLLDT-DOMZBBRYSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000422773702 534069993 /nfs/dbraw/zinc/06/99/93/534069993.db2.gz UQNKCALOYXNAHO-HIFRSBDPSA-N 2 0 264.438 2.756 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422773013 534070256 /nfs/dbraw/zinc/07/02/56/534070256.db2.gz XSWBALKBIYPPFM-RISCZKNCSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735959 534076285 /nfs/dbraw/zinc/07/62/85/534076285.db2.gz FQEORINNARBTKR-SLEUVZQESA-N 2 0 250.361 2.659 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1)C[NH+](C)C ZINC000425941333 534078000 /nfs/dbraw/zinc/07/80/00/534078000.db2.gz JUYOSFDYZKLHHG-KBPBESRZSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423176543 534082609 /nfs/dbraw/zinc/08/26/09/534082609.db2.gz GJCRSEXJMKUXEB-GMTAPVOTSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422957762 534083475 /nfs/dbraw/zinc/08/34/75/534083475.db2.gz NWWZZJDWPVTONY-HTXMLKAHSA-N 2 0 256.393 2.793 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])ccc2[nH]1 ZINC000423102257 534093015 /nfs/dbraw/zinc/09/30/15/534093015.db2.gz DSLHNZYXBLKTBJ-UKRRQHHQSA-N 2 0 257.381 2.693 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422818070 534122604 /nfs/dbraw/zinc/12/26/04/534122604.db2.gz FKJVXFOZHMWKNG-YCPHGPKFSA-N 2 0 278.440 2.978 20 0 CFADRP COC(=O)c1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414811191 534141861 /nfs/dbraw/zinc/14/18/61/534141861.db2.gz PCPIRAXZASEJNV-CYBMUJFWSA-N 2 0 298.386 2.783 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422880290 534147472 /nfs/dbraw/zinc/14/74/72/534147472.db2.gz WQWCUOZAIYMRAA-LBPRGKRZSA-N 2 0 252.427 2.934 20 0 CFADRP C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411539600 534148039 /nfs/dbraw/zinc/14/80/39/534148039.db2.gz YIGYFQBWJJAPLT-HOTGVXAUSA-N 2 0 290.451 2.779 20 0 CFADRP CSc1cc(C)ccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415088606 534148144 /nfs/dbraw/zinc/14/81/44/534148144.db2.gz VNWXLBHGJRPQPF-UHFFFAOYSA-N 2 0 264.438 2.806 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000414877321 534148165 /nfs/dbraw/zinc/14/81/65/534148165.db2.gz MKJOEBNQKBOKFY-JQWIXIFHSA-N 2 0 297.830 2.550 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781479 534158317 /nfs/dbraw/zinc/15/83/17/534158317.db2.gz MZDKVRKADQXAAY-CABCVRRESA-N 2 0 276.399 2.956 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423132960 534175763 /nfs/dbraw/zinc/17/57/63/534175763.db2.gz PWMJLBIXIKWZGJ-UHXUCMFUSA-N 2 0 250.361 2.787 20 0 CFADRP CSc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423096272 534200500 /nfs/dbraw/zinc/20/05/00/534200500.db2.gz OLIZLFADUVASOS-VXGBXAGGSA-N 2 0 252.427 2.666 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423168296 534208504 /nfs/dbraw/zinc/20/85/04/534208504.db2.gz UFROACQUENKMIY-JKSUJKDBSA-N 3 0 281.488 2.761 20 0 CFADRP CCc1ccc(CC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435613949 536168328 /nfs/dbraw/zinc/16/83/28/536168328.db2.gz LJBUSMVZZUMHPG-KRWDZBQOSA-N 2 0 260.425 2.865 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637989 518179209 /nfs/dbraw/zinc/17/92/09/518179209.db2.gz WJINSEMMBMUTSI-BZUAXINKSA-N 2 0 293.499 2.569 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423461878 534338183 /nfs/dbraw/zinc/33/81/83/534338183.db2.gz CYBICGVVIMGMBU-GVXVVHGQSA-N 2 0 296.436 2.703 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226066569 518695137 /nfs/dbraw/zinc/69/51/37/518695137.db2.gz NDYNHIMHABQTBW-GLQYFDAESA-N 2 0 262.397 2.518 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC1CCCC1 ZINC000423094388 534389737 /nfs/dbraw/zinc/38/97/37/534389737.db2.gz BPIQCRMNIVUZIP-BSDSXHPESA-N 2 0 294.483 2.686 20 0 CFADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000231075982 518956677 /nfs/dbraw/zinc/95/66/77/518956677.db2.gz LDOKANLVLLIKPZ-KFWWJZLASA-N 2 0 262.397 2.518 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414829134 534403865 /nfs/dbraw/zinc/40/38/65/534403865.db2.gz KDXWQKHTQJFAJV-LBPRGKRZSA-N 2 0 288.313 2.674 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423356109 534412317 /nfs/dbraw/zinc/41/23/17/534412317.db2.gz PZAGPYSKYGTIFA-RYUDHWBXSA-N 2 0 262.319 2.617 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422933954 534415777 /nfs/dbraw/zinc/41/57/77/534415777.db2.gz IZSBDWOMLZJQFG-MYSGWJLTSA-N 2 0 256.393 2.855 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414805815 534419343 /nfs/dbraw/zinc/41/93/43/534419343.db2.gz AYJYOWPKKKQPCV-ZDUSSCGKSA-N 2 0 255.365 2.700 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423118916 534434555 /nfs/dbraw/zinc/43/45/55/534434555.db2.gz CQKQIQLYQWNVTI-QKGCVVFFSA-N 2 0 254.393 2.777 20 0 CFADRP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000414826722 534441402 /nfs/dbraw/zinc/44/14/02/534441402.db2.gz JJYPXBUDUCHLOU-JTQLQIEISA-N 2 0 290.304 2.934 20 0 CFADRP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000414915007 534442361 /nfs/dbraw/zinc/44/23/61/534442361.db2.gz LSCINHQSQWGILW-NSHDSACASA-N 2 0 288.313 2.659 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000192609133 519653747 /nfs/dbraw/zinc/65/37/47/519653747.db2.gz IRCPFAIIONUPSO-NVXWUHKLSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363795031 519663743 /nfs/dbraw/zinc/66/37/43/519663743.db2.gz XOXAXIFRKGFYAZ-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000052380779 519726854 /nfs/dbraw/zinc/72/68/54/519726854.db2.gz KSTUBAQNKRKRHX-HUUCEWRRSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000150936721 519749270 /nfs/dbraw/zinc/74/92/70/519749270.db2.gz JDJKMJVPLWWPOB-AWEZNQCLSA-N 2 0 264.413 2.934 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000066152393 519762822 /nfs/dbraw/zinc/76/28/22/519762822.db2.gz RYDYISGTNHMKNI-INIZCTEOSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000361239795 519777418 /nfs/dbraw/zinc/77/74/18/519777418.db2.gz YEWMKYOGQFKRGS-PMPSAXMXSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000222022527 519795193 /nfs/dbraw/zinc/79/51/93/519795193.db2.gz ODYJOOGDDXABCC-VSZNYVQBSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346914 519805796 /nfs/dbraw/zinc/80/57/96/519805796.db2.gz IDFSHIWXRWVRJD-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340230452 519843172 /nfs/dbraw/zinc/84/31/72/519843172.db2.gz IXFZVNPAOSIOAJ-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000361440800 519846671 /nfs/dbraw/zinc/84/66/71/519846671.db2.gz RABKOYLCWLSMQV-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423534560 534453065 /nfs/dbraw/zinc/45/30/65/534453065.db2.gz ADYNMFQFAIKDKA-KRWDZBQOSA-N 2 0 272.392 2.669 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414846331 534460293 /nfs/dbraw/zinc/46/02/93/534460293.db2.gz GWCVFLOGUNMIEU-BQTXGFLSSA-N 2 0 262.372 2.818 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422735916 534461332 /nfs/dbraw/zinc/46/13/32/534461332.db2.gz WYJINOZVBFVKCH-YIONKMFJSA-N 2 0 269.392 2.583 20 0 CFADRP CCCCCCNC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000361802662 520080758 /nfs/dbraw/zinc/08/07/58/520080758.db2.gz CLPKZPZIIKHGMB-GOOCMWNKSA-N 2 0 280.460 2.553 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC[C@H]3CCC[NH2+]3)ccc2n1 ZINC000414900386 534468082 /nfs/dbraw/zinc/46/80/82/534468082.db2.gz DHYJNWVNAZOWLV-MRXNPFEDSA-N 2 0 269.392 2.775 20 0 CFADRP CC1(C)CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000336131662 520285610 /nfs/dbraw/zinc/28/56/10/520285610.db2.gz LSBCKMBSOIRKJK-HOTGVXAUSA-N 2 0 280.456 2.533 20 0 CFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422942790 534484070 /nfs/dbraw/zinc/48/40/70/534484070.db2.gz QBLIJHCYCIBGOX-BRWVUGGUSA-N 2 0 292.398 2.715 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C12CCCCC2 ZINC000312472824 520427597 /nfs/dbraw/zinc/42/75/97/520427597.db2.gz HAOLMFGRGXUXNG-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC(O)C[N@@H+](CC)CC1CCC1)CC1CCC1 ZINC000361480918 520437698 /nfs/dbraw/zinc/43/76/98/520437698.db2.gz HTMRPGCNEMGDSX-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423211319 534498694 /nfs/dbraw/zinc/49/86/94/534498694.db2.gz KXNGJDRHXUNXNJ-BLLLJJGKSA-N 2 0 262.372 2.792 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000085380164 520574511 /nfs/dbraw/zinc/57/45/11/520574511.db2.gz RGDBJYCUTTUFQT-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000191894796 520605660 /nfs/dbraw/zinc/60/56/60/520605660.db2.gz GLWHPECPKUKLJV-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000360994820 520624294 /nfs/dbraw/zinc/62/42/94/520624294.db2.gz GKRADBBZMQSXHK-GJZGRUSLSA-N 2 0 270.461 2.900 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000355650318 520630504 /nfs/dbraw/zinc/63/05/04/520630504.db2.gz NAFTXJOYRLFNOP-CQSZACIVSA-N 2 0 277.412 2.648 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000423242210 534511625 /nfs/dbraw/zinc/51/16/25/534511625.db2.gz DYXVUVMNGIZXDS-UXLLHSPISA-N 2 0 273.424 2.697 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000300697138 521096411 /nfs/dbraw/zinc/09/64/11/521096411.db2.gz MAOXJCWCVNZSDP-LTIDMASMSA-N 2 0 282.472 2.686 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000311015618 521223226 /nfs/dbraw/zinc/22/32/26/521223226.db2.gz KSIGFHDDDQHMKW-QWHCGFSZSA-N 2 0 250.386 2.863 20 0 CFADRP Cc1occc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000414275068 534578598 /nfs/dbraw/zinc/57/85/98/534578598.db2.gz VYFYCUYVZVPCPC-UHFFFAOYSA-N 2 0 258.365 2.939 20 0 CFADRP CCC[N@H+](CCc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000088103053 521670810 /nfs/dbraw/zinc/67/08/10/521670810.db2.gz CZFQPXMSGLXVIE-UHFFFAOYSA-N 2 0 288.435 2.628 20 0 CFADRP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000193024525 521691251 /nfs/dbraw/zinc/69/12/51/521691251.db2.gz SUVGDKJZUCMJCH-MQVJKMGUSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000155712113 521694715 /nfs/dbraw/zinc/69/47/15/521694715.db2.gz IGFPFIXHJMEGNT-CABCVRRESA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(SC)CCC2)[C@H](C)C1 ZINC000356118773 521720046 /nfs/dbraw/zinc/72/00/46/521720046.db2.gz YECIOGVNPJUYEU-KGLIPLIRSA-N 2 0 270.486 2.934 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000246389149 521721125 /nfs/dbraw/zinc/72/11/25/521721125.db2.gz AQUHWDPZYIKSGM-RYQLBKOJSA-N 2 0 289.467 2.609 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCc2ncc(-c3ccccc3)o2)C1 ZINC000363408532 521878356 /nfs/dbraw/zinc/87/83/56/521878356.db2.gz DOQHEFWGWALHAI-OAHLLOKOSA-N 2 0 299.418 2.768 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000088782533 521985429 /nfs/dbraw/zinc/98/54/29/521985429.db2.gz YFIMQGVALMAMSW-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000414905405 534605484 /nfs/dbraw/zinc/60/54/84/534605484.db2.gz OHDAGCQQZLNHIJ-UHFFFAOYSA-N 2 0 291.420 2.551 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000423332905 534606708 /nfs/dbraw/zinc/60/67/08/534606708.db2.gz RKLFXXLKJKPJRF-MRXNPFEDSA-N 2 0 273.355 2.639 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000414746619 534607660 /nfs/dbraw/zinc/60/76/60/534607660.db2.gz SNNNLKOCNHTQFJ-NJZAAPMLSA-N 2 0 279.453 2.977 20 0 CFADRP [NH3+]CCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423195469 534616251 /nfs/dbraw/zinc/61/62/51/534616251.db2.gz SPUDBEGKGFGDOG-MRXNPFEDSA-N 2 0 289.810 2.957 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423191170 534616300 /nfs/dbraw/zinc/61/63/00/534616300.db2.gz ONCSKRSETJYAGH-AWEZNQCLSA-N 2 0 297.240 2.709 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000234742486 522287804 /nfs/dbraw/zinc/28/78/04/522287804.db2.gz JXRIKQMDHRFVQP-GXTWGEPZSA-N 2 0 276.380 2.837 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000234752217 522289089 /nfs/dbraw/zinc/28/90/89/522289089.db2.gz JXRIKQMDHRFVQP-TZMCWYRMSA-N 2 0 276.380 2.837 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353525994 522309937 /nfs/dbraw/zinc/30/99/37/522309937.db2.gz ZRBAMEUAOKCCNA-LXPRWKDFSA-N 2 0 290.451 2.707 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000158160261 522579680 /nfs/dbraw/zinc/57/96/80/522579680.db2.gz NXCOTXWBOXFSIH-KRWDZBQOSA-N 2 0 292.471 2.973 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414746268 534655047 /nfs/dbraw/zinc/65/50/47/534655047.db2.gz YUNRZACXSJTUGP-PVAVHDDUSA-N 2 0 258.409 2.851 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000195138632 522742395 /nfs/dbraw/zinc/74/23/95/522742395.db2.gz RNPDVRYVUGBMIB-ROUUACIJSA-N 2 0 290.451 2.769 20 0 CFADRP C[N@H+](CCCCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000340712768 522743253 /nfs/dbraw/zinc/74/32/53/522743253.db2.gz QFMACDZCVORMNW-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000155602270 522858944 /nfs/dbraw/zinc/85/89/44/522858944.db2.gz VBACWRCXOGZFJQ-FUHWJXTLSA-N 2 0 289.467 2.753 20 0 CFADRP C[N@@H+](Cc1ccc(F)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000164213355 523242580 /nfs/dbraw/zinc/24/25/80/523242580.db2.gz OPBMXNRPKZEPLD-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000360837335 523400494 /nfs/dbraw/zinc/40/04/94/523400494.db2.gz PGNNNYMPRXOACW-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422773751 534714931 /nfs/dbraw/zinc/71/49/31/534714931.db2.gz UXIGYAJXXLUHQJ-ZIAGYGMSSA-N 2 0 268.401 2.528 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422750147 534715500 /nfs/dbraw/zinc/71/55/00/534715500.db2.gz ACMUWUSCYMCUQV-HUUCEWRRSA-N 2 0 257.381 2.501 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000356834124 523752328 /nfs/dbraw/zinc/75/23/28/523752328.db2.gz FWTDLCQPEOSWFP-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000420396717 534732353 /nfs/dbraw/zinc/73/23/53/534732353.db2.gz WEOIRNPCMSKFQX-IRXDYDNUSA-N 2 0 280.456 2.785 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](C2CCCCC2)CC1 ZINC000361679187 523792038 /nfs/dbraw/zinc/79/20/38/523792038.db2.gz UTYVQMTZLQHKKE-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933184 523876115 /nfs/dbraw/zinc/87/61/15/523876115.db2.gz KNVFOVMJCMIZTJ-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309706594 523899158 /nfs/dbraw/zinc/89/91/58/523899158.db2.gz HZNJFEHXWYBRMF-UXLLHSPISA-N 2 0 276.424 2.522 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(C)n1 ZINC000423290032 534750642 /nfs/dbraw/zinc/75/06/42/534750642.db2.gz CALLYVGKXPAOHY-VXGBXAGGSA-N 2 0 284.407 2.964 20 0 CFADRP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000335271954 524038513 /nfs/dbraw/zinc/03/85/13/524038513.db2.gz YEKRVKRTNPWPQK-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000364849709 524047322 /nfs/dbraw/zinc/04/73/22/524047322.db2.gz BXISNGWOSVLRHH-BZUAXINKSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000191029310 524051395 /nfs/dbraw/zinc/05/13/95/524051395.db2.gz AEAZEASAOUFHRE-SFHVURJKSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000310017750 524137871 /nfs/dbraw/zinc/13/78/71/524137871.db2.gz PEHVLFWJOJTRHK-NUJGCVRESA-N 2 0 289.467 2.757 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000361162237 524228015 /nfs/dbraw/zinc/22/80/15/524228015.db2.gz ALIAXNGPKLSTFZ-MRXNPFEDSA-N 2 0 274.408 2.614 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cn1 ZINC000334839176 524240417 /nfs/dbraw/zinc/24/04/17/524240417.db2.gz YAKJKZGNFXGHCK-JKSUJKDBSA-N 2 0 287.451 2.958 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010081 524312744 /nfs/dbraw/zinc/31/27/44/524312744.db2.gz MXTRLYJRHAAKER-GOEBONIOSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]1CC[C@H](C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)O1 ZINC000365097649 524405651 /nfs/dbraw/zinc/40/56/51/524405651.db2.gz PGRSNVXVOUPRLA-FUHWJXTLSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000336786037 524457839 /nfs/dbraw/zinc/45/78/39/524457839.db2.gz AZCCROAIOSHSKE-JTQLQIEISA-N 2 0 260.303 2.922 20 0 CFADRP C[C@@H](CC[NH+](C)C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000049551835 524474458 /nfs/dbraw/zinc/47/44/58/524474458.db2.gz IDMXKRYCEWRMRH-INIZCTEOSA-N 2 0 289.467 2.581 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000088194988 524499894 /nfs/dbraw/zinc/49/98/94/524499894.db2.gz KNSIAGRHSPKYIL-CVEARBPZSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000085676521 524501194 /nfs/dbraw/zinc/50/11/94/524501194.db2.gz CHKGIQFZZFWQKS-QXSJWSMHSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000163818482 524513644 /nfs/dbraw/zinc/51/36/44/524513644.db2.gz LCIZHXGUQMNMGU-DYVFJYSZSA-N 2 0 258.409 2.592 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335017531 524529771 /nfs/dbraw/zinc/52/97/71/524529771.db2.gz YTAWTNVIZLVKFZ-CZUORRHYSA-N 2 0 273.424 2.522 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229591507 524563203 /nfs/dbraw/zinc/56/32/03/524563203.db2.gz OKIKBMZRSREIFQ-GUYCJALGSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000311132040 524583532 /nfs/dbraw/zinc/58/35/32/524583532.db2.gz WTECDBZIBPZVAQ-UWVGGRQHSA-N 2 0 258.312 2.533 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414696905 534794051 /nfs/dbraw/zinc/79/40/51/534794051.db2.gz BRNYCRMTBRMKRS-JQWIXIFHSA-N 2 0 267.442 2.664 20 0 CFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415020585 534801653 /nfs/dbraw/zinc/80/16/53/534801653.db2.gz JNRRVUIOOYJUEE-LBPRGKRZSA-N 2 0 290.386 2.537 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422885416 534802000 /nfs/dbraw/zinc/80/20/00/534802000.db2.gz YOOYGDDZEAAUKH-DLBZAZTESA-N 2 0 288.435 2.513 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334856605 524693291 /nfs/dbraw/zinc/69/32/91/524693291.db2.gz ISGVJFZSPOVJDV-FZMZJTMJSA-N 2 0 260.406 2.989 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000334853646 524694513 /nfs/dbraw/zinc/69/45/13/524694513.db2.gz FPMXLUKFEPMOFH-NHYWBVRUSA-N 2 0 289.810 2.976 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000149606569 524697848 /nfs/dbraw/zinc/69/78/48/524697848.db2.gz LJZCZBFEUBZDPY-KBRIMQKVSA-N 2 0 276.399 2.973 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000422912261 534802962 /nfs/dbraw/zinc/80/29/62/534802962.db2.gz VRPJHDFLMANAIK-KBPBESRZSA-N 2 0 281.469 2.894 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000422911103 534803634 /nfs/dbraw/zinc/80/36/34/534803634.db2.gz SEQIGUDHYDBRTJ-UONOGXRCSA-N 2 0 281.469 2.881 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000159048687 524739837 /nfs/dbraw/zinc/73/98/37/524739837.db2.gz PSMXTKQZGRYZSG-JKSUJKDBSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000159048448 524740960 /nfs/dbraw/zinc/74/09/60/524740960.db2.gz PSMXTKQZGRYZSG-HOTGVXAUSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc2cccnc12 ZINC000334856138 524772421 /nfs/dbraw/zinc/77/24/21/524772421.db2.gz GEWWKIZRRVARBO-XJKSGUPXSA-N 2 0 269.392 2.631 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414803341 534807169 /nfs/dbraw/zinc/80/71/69/534807169.db2.gz NQRLXUOUXZZVJL-HOCLYGCPSA-N 2 0 292.471 2.862 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2(C)Cc3ccccc3C2)CC[NH2+]1 ZINC000334845329 524780187 /nfs/dbraw/zinc/78/01/87/524780187.db2.gz FVGQOMLJPZLYSK-KBPBESRZSA-N 2 0 258.409 2.522 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000227376330 524782445 /nfs/dbraw/zinc/78/24/45/524782445.db2.gz UGNGCWXCOSDGNI-JSGCOSHPSA-N 2 0 250.361 2.706 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000168673981 524848117 /nfs/dbraw/zinc/84/81/17/524848117.db2.gz PEEYDIVBQOGUAX-WCQYABFASA-N 2 0 273.355 2.543 20 0 CFADRP Cc1cccc2c(NCC[N@@H+](C)C3CC3)c(C)c[nH+]c12 ZINC000360643398 524964999 /nfs/dbraw/zinc/96/49/99/524964999.db2.gz BIOCAGNNAPAUOA-UHFFFAOYSA-N 2 0 269.392 2.780 20 0 CFADRP Cc1cccc2c(NCC3=CC[N@H+](C)CC3)c(C)c[nH+]c12 ZINC000360864424 524965338 /nfs/dbraw/zinc/96/53/38/524965338.db2.gz MQTHNPRMFJNKKC-UHFFFAOYSA-N 2 0 281.403 2.947 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000334853643 525096300 /nfs/dbraw/zinc/09/63/00/525096300.db2.gz FPMXLUKFEPMOFH-IAQYHMDHSA-N 2 0 289.810 2.976 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000334853925 525137642 /nfs/dbraw/zinc/13/76/42/525137642.db2.gz JLQJYUMFPKLAJM-MSOLQXFVSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334853929 525141033 /nfs/dbraw/zinc/14/10/33/525141033.db2.gz JLQJYUMFPKLAJM-ZWKOTPCHSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000335007639 525244258 /nfs/dbraw/zinc/24/42/58/525244258.db2.gz HRXKQVIGRQSDIJ-JKSUJKDBSA-N 2 0 262.372 2.874 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423289495 534843700 /nfs/dbraw/zinc/84/37/00/534843700.db2.gz BDUTUXPQZQARMO-NWDGAFQWSA-N 2 0 272.396 2.599 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000155938793 525277441 /nfs/dbraw/zinc/27/74/41/525277441.db2.gz CVWLYWMVJRJUSL-ZBFHGGJFSA-N 2 0 291.439 2.522 20 0 CFADRP Cc1ccccc1O[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192907422 525322061 /nfs/dbraw/zinc/32/20/61/525322061.db2.gz PHOJZEYWHOCYLU-XYTVBORESA-N 2 0 288.435 2.977 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1F ZINC000311144876 525328740 /nfs/dbraw/zinc/32/87/40/525328740.db2.gz LXFVNZLBPQCBSN-QWRGUYRKSA-N 2 0 254.349 2.612 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000235146190 525335994 /nfs/dbraw/zinc/33/59/94/525335994.db2.gz KNCJWWMZZWNHMN-MELADBBJSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000231786891 525452764 /nfs/dbraw/zinc/45/27/64/525452764.db2.gz NDQMZFQGLHTDOS-LLVKDONJSA-N 2 0 288.794 2.708 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1F ZINC000335006662 525476098 /nfs/dbraw/zinc/47/60/98/525476098.db2.gz MFAZGFMUSRUJGM-OCCSQVGLSA-N 2 0 250.361 2.927 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1F ZINC000335032529 525529936 /nfs/dbraw/zinc/52/99/36/525529936.db2.gz MFAZGFMUSRUJGM-JSGCOSHPSA-N 2 0 250.361 2.927 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370623981 525568420 /nfs/dbraw/zinc/56/84/20/525568420.db2.gz FDLFEPTYPHLOAP-UONOGXRCSA-N 2 0 293.480 2.567 20 0 CFADRP C[C@@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)C1C[NH2+]C1 ZINC000335069855 525695253 /nfs/dbraw/zinc/69/52/53/525695253.db2.gz RZMYCSIXNNJPGE-WBMJQRKESA-N 2 0 258.409 2.898 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCC[NH3+] ZINC000423315395 534878079 /nfs/dbraw/zinc/87/80/79/534878079.db2.gz AQUDMHUFSGWOKU-SNVBAGLBSA-N 2 0 255.431 2.964 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423223920 534879426 /nfs/dbraw/zinc/87/94/26/534879426.db2.gz HXBCLEULOWKWAX-UWVGGRQHSA-N 2 0 255.431 2.963 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423297212 534879447 /nfs/dbraw/zinc/87/94/47/534879447.db2.gz JESXFVINKGBUJD-UWVGGRQHSA-N 2 0 255.431 2.820 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309850588 525852735 /nfs/dbraw/zinc/85/27/35/525852735.db2.gz ZZISUTYYMLAPLH-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357087382 526045095 /nfs/dbraw/zinc/04/50/95/526045095.db2.gz NJJIFXOBGHFHII-LBPRGKRZSA-N 2 0 282.815 2.841 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)c[nH]c2c1 ZINC000360945725 526124613 /nfs/dbraw/zinc/12/46/13/526124613.db2.gz FVLONTBBTPMEEY-YOEHRIQHSA-N 2 0 285.435 2.949 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000334859544 526166717 /nfs/dbraw/zinc/16/67/17/526166717.db2.gz ZSOIOUGOHLGIAH-BXUZGUMPSA-N 2 0 297.240 2.845 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)ccc2n1 ZINC000228689258 526230631 /nfs/dbraw/zinc/23/06/31/526230631.db2.gz KMXRHCBGPHOCRM-UKRRQHHQSA-N 2 0 269.392 2.712 20 0 CFADRP FC1(F)CC(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000336187786 526272682 /nfs/dbraw/zinc/27/26/82/526272682.db2.gz SUOLJEMJQWVCIO-CQSZACIVSA-N 2 0 272.383 2.982 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000336400747 526331298 /nfs/dbraw/zinc/33/12/98/526331298.db2.gz CGJDEFGLLMVSJL-AWEZNQCLSA-N 2 0 280.362 2.786 20 0 CFADRP C[NH2+]CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000237285794 536442117 /nfs/dbraw/zinc/44/21/17/536442117.db2.gz MCDUTXUUYVEHDI-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000050599559 526497804 /nfs/dbraw/zinc/49/78/04/526497804.db2.gz CGRDFXICUNIXAI-KRWDZBQOSA-N 2 0 258.409 2.866 20 0 CFADRP c1coc(-c2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)no2)c1 ZINC000336129269 526560676 /nfs/dbraw/zinc/56/06/76/526560676.db2.gz ZMBUNXWKWXSEKQ-UHFFFAOYSA-N 2 0 287.363 2.510 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000334856160 526789214 /nfs/dbraw/zinc/78/92/14/526789214.db2.gz GTJSYLHXYLTPJV-ABAIWWIYSA-N 2 0 258.365 2.829 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423165632 526811579 /nfs/dbraw/zinc/81/15/79/526811579.db2.gz BIDADVCIIZNGNY-SWLSCSKDSA-N 2 0 261.413 2.596 20 0 CFADRP CC(C)(C)c1nc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000414857041 526865005 /nfs/dbraw/zinc/86/50/05/526865005.db2.gz ZPPMRBYIYZRARE-LBPRGKRZSA-N 2 0 281.469 2.920 20 0 CFADRP Clc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311210121 526988718 /nfs/dbraw/zinc/98/87/18/526988718.db2.gz KZGYMYRWPSTYGD-BETUJISGSA-N 2 0 264.800 2.771 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423334089 527084629 /nfs/dbraw/zinc/08/46/29/527084629.db2.gz QLDBCIHHSFTJMK-ZDUSSCGKSA-N 2 0 289.423 2.685 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCCCCC1 ZINC000335061509 527132698 /nfs/dbraw/zinc/13/26/98/527132698.db2.gz XFJATLYAHFAKNN-OAHLLOKOSA-N 2 0 280.456 2.977 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cccc3cnccc32)CC1 ZINC000061125623 527141890 /nfs/dbraw/zinc/14/18/90/527141890.db2.gz SFQXPDQLUUZESU-UHFFFAOYSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+]CC1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000339411946 527165712 /nfs/dbraw/zinc/16/57/12/527165712.db2.gz BRVZLUOYYWIMQH-UHFFFAOYSA-N 2 0 276.424 2.906 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(Br)ccc1Cl ZINC000236210020 527177531 /nfs/dbraw/zinc/17/75/31/527177531.db2.gz GPMNYJDMXQXGID-UHFFFAOYSA-N 2 0 291.620 2.931 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000160314931 527177172 /nfs/dbraw/zinc/17/71/72/527177172.db2.gz LAJDSZXOMLHGNS-UHFFFAOYSA-N 2 0 263.772 2.717 20 0 CFADRP Cc1nc2ccccn2c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334789782 527177490 /nfs/dbraw/zinc/17/74/90/527177490.db2.gz CJJUWBDYAPRNMN-INIZCTEOSA-N 2 0 298.434 2.607 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000414342066 527177959 /nfs/dbraw/zinc/17/79/59/527177959.db2.gz WWOLKMPOZHKCEB-CVEARBPZSA-N 2 0 273.424 2.576 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000070170533 527194819 /nfs/dbraw/zinc/19/48/19/527194819.db2.gz GDNRQZMQFAOPEV-CQSZACIVSA-N 2 0 280.387 2.655 20 0 CFADRP CC(C)([NH3+])CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414806789 527255057 /nfs/dbraw/zinc/25/50/57/527255057.db2.gz QIDWUCBYMJFOPG-UHFFFAOYSA-N 2 0 295.858 2.631 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423282596 527256465 /nfs/dbraw/zinc/25/64/65/527256465.db2.gz CVHHPKNWHQLTHZ-GJZGRUSLSA-N 2 0 296.842 2.757 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@@H]21 ZINC000312231845 527353670 /nfs/dbraw/zinc/35/36/70/527353670.db2.gz LASXCDQOSHRHKO-IXDOHACOSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@@H]12 ZINC000339406431 527368007 /nfs/dbraw/zinc/36/80/07/527368007.db2.gz HYVUYGDCNNETPM-DJIMGWMZSA-N 2 0 274.408 2.515 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000334866283 527402212 /nfs/dbraw/zinc/40/22/12/527402212.db2.gz UZVVCJMTPGWCFS-IRXDYDNUSA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159337077 527406655 /nfs/dbraw/zinc/40/66/55/527406655.db2.gz SPYAGBKEUXTNOR-GJZGRUSLSA-N 2 0 255.365 2.594 20 0 CFADRP C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)CC[NH+]1CCCCC1 ZINC000422721384 527479095 /nfs/dbraw/zinc/47/90/95/527479095.db2.gz VGCPETAPRWMNLB-SJPCQFCGSA-N 3 0 279.472 2.515 20 0 CFADRP Cc1ncsc1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000172533992 527486700 /nfs/dbraw/zinc/48/67/00/527486700.db2.gz DXERXRIYPDEWRZ-UHFFFAOYSA-N 2 0 293.480 2.802 20 0 CFADRP OCCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305335083 527545314 /nfs/dbraw/zinc/54/53/14/527545314.db2.gz NUEHKSMMOHGLLD-KURKYZTESA-N 2 0 288.435 2.717 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CSC1(C)C ZINC000338476966 527569636 /nfs/dbraw/zinc/56/96/36/527569636.db2.gz HJRDJLFZGQTNMA-CQSZACIVSA-N 2 0 288.420 2.559 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422838534 527725635 /nfs/dbraw/zinc/72/56/35/527725635.db2.gz OSDQPMAYSWOFCD-MSOLQXFVSA-N 3 0 295.515 2.852 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827608 527731239 /nfs/dbraw/zinc/73/12/39/527731239.db2.gz SJZOSCLMSWXWFD-KBMXLJTQSA-N 2 0 268.445 2.702 20 0 CFADRP CCC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCOCC1 ZINC000422815305 527753919 /nfs/dbraw/zinc/75/39/19/527753919.db2.gz XHGPLPHPHPJNHO-CYBMUJFWSA-N 2 0 291.439 2.706 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@H](C)C1 ZINC000414337014 527799039 /nfs/dbraw/zinc/79/90/39/527799039.db2.gz PPPPRKRTCIXSNZ-GDBMZVCRSA-N 2 0 275.440 2.679 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000178594137 527800240 /nfs/dbraw/zinc/80/02/40/527800240.db2.gz NZEIQIDDALGQJS-CZUORRHYSA-N 2 0 294.414 2.697 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422721135 527832857 /nfs/dbraw/zinc/83/28/57/527832857.db2.gz URHPKMJOORWIRG-CHQKBHSXSA-N 2 0 268.445 2.545 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422716536 527833045 /nfs/dbraw/zinc/83/30/45/527833045.db2.gz NJENXSZONOGUIA-YXYCDRMUSA-N 2 0 294.483 2.950 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H](C)C1 ZINC000414337017 527879697 /nfs/dbraw/zinc/87/96/97/527879697.db2.gz PPPPRKRTCIXSNZ-HOCLYGCPSA-N 2 0 275.440 2.679 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423338103 527894852 /nfs/dbraw/zinc/89/48/52/527894852.db2.gz VQYBKYSSRNFURL-LSDHHAIUSA-N 2 0 262.397 2.561 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)C12CCCCC2 ZINC000423315551 527937132 /nfs/dbraw/zinc/93/71/32/527937132.db2.gz AXAYNPGNEYJTSX-UONOGXRCSA-N 2 0 266.429 2.585 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(CC)CC ZINC000422840376 527952894 /nfs/dbraw/zinc/95/28/94/527952894.db2.gz SQTQLGHGMAITPQ-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422877037 527960882 /nfs/dbraw/zinc/96/08/82/527960882.db2.gz HFYOKAQXKRICGU-GOEBONIOSA-N 2 0 289.423 2.642 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000423246737 527974251 /nfs/dbraw/zinc/97/42/51/527974251.db2.gz PWRLQSDXGKGBCW-JCGIZDLHSA-N 2 0 289.467 2.740 20 0 CFADRP CC1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC[NH2+]CC1 ZINC000414895982 527981956 /nfs/dbraw/zinc/98/19/56/527981956.db2.gz AGCCZTIIOJSBBU-UHFFFAOYSA-N 2 0 272.314 2.583 20 0 CFADRP CCC[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000177272800 528050073 /nfs/dbraw/zinc/05/00/73/528050073.db2.gz OFDWZFDZCSLJGY-YESZJQIVSA-N 2 0 281.488 2.665 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422715628 528058573 /nfs/dbraw/zinc/05/85/73/528058573.db2.gz SKYPAAFCXICPBQ-UHFFFAOYSA-N 3 0 269.477 2.606 20 0 CFADRP CCCN(CCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000414707331 528071864 /nfs/dbraw/zinc/07/18/64/528071864.db2.gz PHQJFCCJAOODIY-SFHVURJKSA-N 2 0 289.467 2.712 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000423170260 528085435 /nfs/dbraw/zinc/08/54/35/528085435.db2.gz XQGLUXPCSGCSIC-XUWVNRHRSA-N 2 0 268.445 2.843 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000155336772 528115779 /nfs/dbraw/zinc/11/57/79/528115779.db2.gz AFUOQRZGHADUBU-CQSZACIVSA-N 2 0 263.429 2.990 20 0 CFADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423099491 528125390 /nfs/dbraw/zinc/12/53/90/528125390.db2.gz AQFNJUGYUCZTBX-ZIAGYGMSSA-N 2 0 276.424 2.775 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423482038 528132296 /nfs/dbraw/zinc/13/22/96/528132296.db2.gz XMOYODXPKFUJEZ-LVQVYYBASA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000414825490 528135292 /nfs/dbraw/zinc/13/52/92/528135292.db2.gz CHQYPJWICOZXMU-OLMNPRSZSA-N 2 0 289.467 2.930 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1(C)C ZINC000423198319 528141566 /nfs/dbraw/zinc/14/15/66/528141566.db2.gz FFZKQVUEXMVEEP-KBPBESRZSA-N 2 0 268.445 2.831 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCC2 ZINC000423206949 528141730 /nfs/dbraw/zinc/14/17/30/528141730.db2.gz XIVYWIASSDPZBU-GJZGRUSLSA-N 2 0 280.456 2.975 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000423250064 528144536 /nfs/dbraw/zinc/14/45/36/528144536.db2.gz ULBYBDVGYPVBBX-ZTFGCOKTSA-N 2 0 289.467 2.882 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422862270 528152768 /nfs/dbraw/zinc/15/27/68/528152768.db2.gz POXUUNKUUDHPKO-OAHLLOKOSA-N 2 0 278.440 2.981 20 0 CFADRP CC(C)COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414912100 528154724 /nfs/dbraw/zinc/15/47/24/528154724.db2.gz XVMBIOOWYWYTPG-MRXNPFEDSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414803371 528155958 /nfs/dbraw/zinc/15/59/58/528155958.db2.gz WPVOVGBEPKFYPY-WBVHZDCISA-N 2 0 276.424 2.938 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348600 528160607 /nfs/dbraw/zinc/16/06/07/528160607.db2.gz ULBVDWMVOFVJCT-QGZVFWFLSA-N 2 0 258.409 2.907 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414966339 528162861 /nfs/dbraw/zinc/16/28/61/528162861.db2.gz WKGOMOUPLIQJEY-CZUORRHYSA-N 2 0 262.397 2.561 20 0 CFADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423300624 528163657 /nfs/dbraw/zinc/16/36/57/528163657.db2.gz SBWLIZWTZNQPDN-ZIAGYGMSSA-N 2 0 264.413 2.967 20 0 CFADRP CC(C)COc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000414782996 528169798 /nfs/dbraw/zinc/16/97/98/528169798.db2.gz YJINUABTADIUKQ-UHFFFAOYSA-N 2 0 262.397 2.643 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000422840410 528172230 /nfs/dbraw/zinc/17/22/30/528172230.db2.gz SUJQNTQQKOWGBH-ULQDDVLXSA-N 3 0 283.504 2.994 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422898697 528174061 /nfs/dbraw/zinc/17/40/61/528174061.db2.gz MSUTZQYUWVXRJW-ZIAGYGMSSA-N 2 0 264.413 2.937 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H](C)CC[NH3+])c1 ZINC000414878294 528174140 /nfs/dbraw/zinc/17/41/40/528174140.db2.gz HABBULVXPGRLPO-CYBMUJFWSA-N 2 0 250.386 2.548 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828865 528178797 /nfs/dbraw/zinc/17/87/97/528178797.db2.gz JQNLCRLCOJBFCE-LBPRGKRZSA-N 2 0 282.815 2.828 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422744174 528185069 /nfs/dbraw/zinc/18/50/69/528185069.db2.gz VPPGWDZRIOFCKH-HOCLYGCPSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000414875661 528195501 /nfs/dbraw/zinc/19/55/01/528195501.db2.gz KEJRNRHQGMGTCZ-UONOGXRCSA-N 2 0 291.439 2.712 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414817908 528195543 /nfs/dbraw/zinc/19/55/43/528195543.db2.gz CAHIWQUNQFGTTG-UONOGXRCSA-N 2 0 291.439 2.854 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422688042 528195908 /nfs/dbraw/zinc/19/59/08/528195908.db2.gz CJCUILTYXBOCTN-OAHLLOKOSA-N 3 0 277.456 2.745 20 0 CFADRP CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000423181961 528215676 /nfs/dbraw/zinc/21/56/76/528215676.db2.gz KALAMWJBDHNTDH-INIZCTEOSA-N 2 0 262.397 2.878 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000417304349 528219372 /nfs/dbraw/zinc/21/93/72/528219372.db2.gz FGJTXIOFZPUZQW-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423107083 528235771 /nfs/dbraw/zinc/23/57/71/528235771.db2.gz KLSCZOWAXIXUFS-ZACQAIPSSA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)Oc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764044 528251088 /nfs/dbraw/zinc/25/10/88/528251088.db2.gz CYEQNSAMMRWGFX-IYBDPMFKSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422712749 528255471 /nfs/dbraw/zinc/25/54/71/528255471.db2.gz IUZPTWUSGIWZAP-GDBMZVCRSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422707953 528255669 /nfs/dbraw/zinc/25/56/69/528255669.db2.gz BBZSHPWASCNDLX-UKRRQHHQSA-N 2 0 262.397 2.691 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000422862776 528282456 /nfs/dbraw/zinc/28/24/56/528282456.db2.gz OCQUNKSCOHYDKX-VNQPRFMTSA-N 2 0 295.496 2.719 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414846971 528282546 /nfs/dbraw/zinc/28/25/46/528282546.db2.gz FOGBVTYEJUCPOL-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414846969 528283547 /nfs/dbraw/zinc/28/35/47/528283547.db2.gz FOGBVTYEJUCPOL-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP CCN(CC)c1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414814586 528318412 /nfs/dbraw/zinc/31/84/12/528318412.db2.gz ZIWBMTYZKKBGPQ-JSGCOSHPSA-N 2 0 296.484 2.596 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414796539 528459930 /nfs/dbraw/zinc/45/99/30/528459930.db2.gz HTCXHUNTTADDTR-GDBMZVCRSA-N 2 0 262.397 2.692 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000414821755 528464435 /nfs/dbraw/zinc/46/44/35/528464435.db2.gz LSGQEVRGPBCQGC-TZMCWYRMSA-N 2 0 280.387 2.702 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422844259 528465391 /nfs/dbraw/zinc/46/53/91/528465391.db2.gz LISCWKQOBQSZKF-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000423103533 528465771 /nfs/dbraw/zinc/46/57/71/528465771.db2.gz LBOBSMJSXHBHFC-OCCSQVGLSA-N 2 0 282.815 2.956 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422740134 528469780 /nfs/dbraw/zinc/46/97/80/528469780.db2.gz MMMFYRAVSNFKIQ-HZPDHXFCSA-N 2 0 269.477 2.748 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423341332 528487363 /nfs/dbraw/zinc/48/73/63/528487363.db2.gz CHAXIVACJIDUFS-GOSISDBHSA-N 2 0 288.435 2.737 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423267017 528530970 /nfs/dbraw/zinc/53/09/70/528530970.db2.gz FCAPYTOTZFQYNJ-NHYWBVRUSA-N 2 0 270.367 2.859 20 0 CFADRP CC(C)C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000423249697 528571590 /nfs/dbraw/zinc/57/15/90/528571590.db2.gz PKYTUTSDMYVMBS-HOCLYGCPSA-N 2 0 261.413 2.758 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCCCC2)n1 ZINC000414849993 528597762 /nfs/dbraw/zinc/59/77/62/528597762.db2.gz YPNVRRVSVSXMSR-CQSZACIVSA-N 2 0 278.444 2.646 20 0 CFADRP CCCOc1c(C[NH2+][C@@H](C)CC[NH3+])cccc1OCC ZINC000414877456 528611955 /nfs/dbraw/zinc/61/19/55/528611955.db2.gz FXSXIAXKLDGBEF-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP CCCOc1c(C[NH2+]C[C@@H](C)C[NH3+])cccc1OCC ZINC000414882255 528612389 /nfs/dbraw/zinc/61/23/89/528612389.db2.gz SYOWXHBNKPNXDH-ZDUSSCGKSA-N 2 0 280.412 2.559 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CC(C)(C)C)CC[NH2+]CC1 ZINC000423164103 528613801 /nfs/dbraw/zinc/61/38/01/528613801.db2.gz NVUKTTZZWIYTIP-KGLIPLIRSA-N 2 0 298.471 2.722 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423213785 528636889 /nfs/dbraw/zinc/63/68/89/528636889.db2.gz OBFGRXMMHDXWAW-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1(C)C ZINC000423274154 528641854 /nfs/dbraw/zinc/64/18/54/528641854.db2.gz LLRIVZUXYZWVEQ-HZSPNIEDSA-N 2 0 256.434 2.543 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422805434 528646361 /nfs/dbraw/zinc/64/63/61/528646361.db2.gz GTXPANYSSSDWOI-CVEARBPZSA-N 2 0 276.424 2.910 20 0 CFADRP CCOc1cccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000414816246 528655153 /nfs/dbraw/zinc/65/51/53/528655153.db2.gz ZPWLIUIUOHTRSW-CYBMUJFWSA-N 2 0 285.391 2.790 20 0 CFADRP CCCc1csc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414786806 528662275 /nfs/dbraw/zinc/66/22/75/528662275.db2.gz UWMZRUUNIRKELC-KBPBESRZSA-N 2 0 293.480 2.917 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422779845 528688923 /nfs/dbraw/zinc/68/89/23/528688923.db2.gz JGTMLEKQLSRSSK-DZGCQCFKSA-N 2 0 262.397 2.878 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414921774 528689599 /nfs/dbraw/zinc/68/95/99/528689599.db2.gz FVCLIOOJNLMYHZ-CABCVRRESA-N 2 0 292.423 2.844 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000422711907 528690337 /nfs/dbraw/zinc/69/03/37/528690337.db2.gz HSANGHCVKBOTKX-ZVDSWSACSA-N 2 0 268.445 2.543 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423293821 528721076 /nfs/dbraw/zinc/72/10/76/528721076.db2.gz AVCNLLVGQLBPBK-QWHCGFSZSA-N 2 0 250.386 2.721 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423293820 528725400 /nfs/dbraw/zinc/72/54/00/528725400.db2.gz AVCNLLVGQLBPBK-OLZOCXBDSA-N 2 0 250.386 2.721 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422741027 528733161 /nfs/dbraw/zinc/73/31/61/528733161.db2.gz OVODUWPEUIPBKI-ZFWWWQNUSA-N 2 0 262.397 2.692 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423157218 528779841 /nfs/dbraw/zinc/77/98/41/528779841.db2.gz UYCKTQRFWYDCEP-JJXSEGSLSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423151901 528795322 /nfs/dbraw/zinc/79/53/22/528795322.db2.gz KTDAXFJOGHPRDU-BSWAZPDLSA-N 2 0 260.425 2.827 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422859015 528838533 /nfs/dbraw/zinc/83/85/33/528838533.db2.gz JIPSKEPWSMSRDJ-YJBOKZPZSA-N 2 0 289.467 2.614 20 0 CFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422870715 528844279 /nfs/dbraw/zinc/84/42/79/528844279.db2.gz XYWDEHHAUBPNPO-HUUCEWRRSA-N 2 0 294.439 2.626 20 0 CFADRP CCCn1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000414809338 528844886 /nfs/dbraw/zinc/84/48/86/528844886.db2.gz MFCDKEYSNZEFBN-CYBMUJFWSA-N 2 0 272.396 2.603 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422818550 528855868 /nfs/dbraw/zinc/85/58/68/528855868.db2.gz KQBUZLOAMNAMRO-KSZLIROESA-N 2 0 295.515 2.994 20 0 CFADRP CC(C)[NH+](CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000422768652 528907069 /nfs/dbraw/zinc/90/70/69/528907069.db2.gz ZLISRRXLOAZMHE-WMZOPIPTSA-N 2 0 291.483 2.653 20 0 CFADRP CCCC[C@H](CCC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422869674 528920540 /nfs/dbraw/zinc/92/05/40/528920540.db2.gz WQSGQHVVDKXFAL-CAOSSQGBSA-N 2 0 270.461 2.935 20 0 CFADRP CCCC[C@H](CCC)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422869677 528920883 /nfs/dbraw/zinc/92/08/83/528920883.db2.gz WQSGQHVVDKXFAL-YHUYYLMFSA-N 2 0 270.461 2.935 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414813639 528948025 /nfs/dbraw/zinc/94/80/25/528948025.db2.gz UKPMTGQRBWTANT-ZDUSSCGKSA-N 2 0 256.434 2.546 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000423289257 528949715 /nfs/dbraw/zinc/94/97/15/528949715.db2.gz WPHSDAKRWMEDOJ-AWEZNQCLSA-N 2 0 291.439 2.535 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423286623 528951899 /nfs/dbraw/zinc/95/18/99/528951899.db2.gz HTLWKGPBXFZMAJ-SOUVJXGZSA-N 2 0 268.445 2.689 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414812716 528954599 /nfs/dbraw/zinc/95/45/99/528954599.db2.gz RMWQHVNFKOTESM-RDJZCZTQSA-N 2 0 289.467 2.614 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423287476 528956156 /nfs/dbraw/zinc/95/61/56/528956156.db2.gz MNUHRHKKVJTRKH-RDJZCZTQSA-N 2 0 289.467 2.757 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425343470 528969782 /nfs/dbraw/zinc/96/97/82/528969782.db2.gz IKOJDPPYYXIENY-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000427869071 528980432 /nfs/dbraw/zinc/98/04/32/528980432.db2.gz RTGRGGOZUDTWOK-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP CCCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423175653 528991744 /nfs/dbraw/zinc/99/17/44/528991744.db2.gz FHLFQFYHLWYOKM-SFHVURJKSA-N 2 0 289.467 2.803 20 0 CFADRP CCC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423262056 529007786 /nfs/dbraw/zinc/00/77/86/529007786.db2.gz UDEKIPXLESGHCF-GOEBONIOSA-N 2 0 261.413 2.902 20 0 CFADRP CCC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423257745 529008222 /nfs/dbraw/zinc/00/82/22/529008222.db2.gz KVGFHTFZWJMBBW-LSDHHAIUSA-N 2 0 261.413 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422739769 529024004 /nfs/dbraw/zinc/02/40/04/529024004.db2.gz LUFYIBVKDBEQSU-JLSDUUJJSA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422733997 529024675 /nfs/dbraw/zinc/02/46/75/529024675.db2.gz BWAYLCNZBDSZPQ-ZJPYXAASSA-N 3 0 293.499 2.617 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422838858 529042975 /nfs/dbraw/zinc/04/29/75/529042975.db2.gz YIXRZVFRBICJDH-YOEHRIQHSA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)[C@H]([NH3+])CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414802826 529067791 /nfs/dbraw/zinc/06/77/91/529067791.db2.gz VZCSFVCLKIPPMO-QGZVFWFLSA-N 2 0 291.483 2.718 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2([NH3+])CCCCC2)C[C@@H]1OC ZINC000423181740 529108056 /nfs/dbraw/zinc/10/80/56/529108056.db2.gz PKJRECDLXVEBND-KGLIPLIRSA-N 2 0 268.445 2.831 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H]1OC ZINC000422936113 529110981 /nfs/dbraw/zinc/11/09/81/529110981.db2.gz IAPDQOHDCQQSBJ-TUVASFSCSA-N 2 0 268.445 2.687 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCC[NH3+])[C@@H](C)[C@@H]1OC ZINC000422988806 529111711 /nfs/dbraw/zinc/11/17/11/529111711.db2.gz LHUSANMTCWJJCG-SYQHCUMBSA-N 2 0 256.434 2.543 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)c(F)c1 ZINC000423299595 529122859 /nfs/dbraw/zinc/12/28/59/529122859.db2.gz BYMXNYJIVLQOCO-YGRLFVJLSA-N 2 0 256.340 2.846 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423521522 529126013 /nfs/dbraw/zinc/12/60/13/529126013.db2.gz XAVKKQYXNSHYLU-KYOSRNDESA-N 2 0 265.376 2.635 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000423181314 529161346 /nfs/dbraw/zinc/16/13/46/529161346.db2.gz OTTOBYALSBVIBN-GFCCVEGCSA-N 2 0 258.312 2.678 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(C)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422776143 529168646 /nfs/dbraw/zinc/16/86/46/529168646.db2.gz DDQUNAXZZHLCEZ-CVEARBPZSA-N 2 0 276.424 2.666 20 0 CFADRP CCc1cccc(Cl)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414826167 529170843 /nfs/dbraw/zinc/17/08/43/529170843.db2.gz DXAHSZQNNQGHMD-LBPRGKRZSA-N 2 0 266.816 2.992 20 0 CFADRP CC[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422895631 529172808 /nfs/dbraw/zinc/17/28/08/529172808.db2.gz WKGHBRAQODAWFN-IKGGRYGDSA-N 2 0 281.488 2.617 20 0 CFADRP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415010990 529174586 /nfs/dbraw/zinc/17/45/86/529174586.db2.gz VLTILGDRNFJRBA-OCCSQVGLSA-N 2 0 264.388 2.995 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422838093 529176023 /nfs/dbraw/zinc/17/60/23/529176023.db2.gz WCMSZRTYCRJSJP-JQHSSLGASA-N 2 0 287.451 2.633 20 0 CFADRP CC[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422962118 529179022 /nfs/dbraw/zinc/17/90/22/529179022.db2.gz DWKIZDBFUCJRQM-OWCLPIDISA-N 2 0 291.439 2.537 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414702747 529191241 /nfs/dbraw/zinc/19/12/41/529191241.db2.gz JEGWTBZXPQGNAG-MELADBBJSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000422816963 529199101 /nfs/dbraw/zinc/19/91/01/529199101.db2.gz BUDDKWMFKFMHGI-IINYFYTJSA-N 2 0 252.789 2.989 20 0 CFADRP CC[C@H](C)[C@@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431068054 529202897 /nfs/dbraw/zinc/20/28/97/529202897.db2.gz GWHJWFVFTOPIER-WDEREUQCSA-N 2 0 280.416 2.662 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1F ZINC000422821556 529368205 /nfs/dbraw/zinc/36/82/05/529368205.db2.gz WZVNAMAXVCLOBP-RWMBFGLXSA-N 2 0 268.376 2.699 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422931877 529368251 /nfs/dbraw/zinc/36/82/51/529368251.db2.gz YHUWBQQXRKENNZ-SMDDNHRTSA-N 2 0 282.815 2.695 20 0 CFADRP CC[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)[NH+]1CCCC1 ZINC000422962538 529368394 /nfs/dbraw/zinc/36/83/94/529368394.db2.gz GANQGRVAJFSLLD-GVDBMIGSSA-N 2 0 281.488 2.761 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)CC(F)(F)F ZINC000423173801 529369845 /nfs/dbraw/zinc/36/98/45/529369845.db2.gz ACUHLNQOGIXLSN-GRYCIOLGSA-N 2 0 266.351 2.943 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000435386691 534945681 /nfs/dbraw/zinc/94/56/81/534945681.db2.gz VDEPPVGSPGYSDV-NUEKZKHPSA-N 2 0 286.419 2.569 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453087659 534947365 /nfs/dbraw/zinc/94/73/65/534947365.db2.gz IWHIUOYYGTWBNE-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)n1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000342092185 535060675 /nfs/dbraw/zinc/06/06/75/535060675.db2.gz WGJLBUHQDYMROW-HNNXBMFYSA-N 2 0 293.459 2.603 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CC2CC(F)(F)C2)CC1 ZINC000450341155 535153015 /nfs/dbraw/zinc/15/30/15/535153015.db2.gz ZBQWHCOMACOZLV-UHFFFAOYSA-N 2 0 260.372 2.836 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000268417194 535163883 /nfs/dbraw/zinc/16/38/83/535163883.db2.gz KFMSKNLCUNZTEJ-RMKNXTFCSA-N 2 0 288.435 2.525 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](CC)[NH+](CC)CC)c1 ZINC000269192500 535482481 /nfs/dbraw/zinc/48/24/81/535482481.db2.gz RVTAJOATBDIUHP-MRXNPFEDSA-N 2 0 291.439 2.855 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000444592872 535496626 /nfs/dbraw/zinc/49/66/26/535496626.db2.gz HJAPMOBKPQVPRW-KRWDZBQOSA-N 2 0 298.471 2.583 20 0 CFADRP CCOc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459747045 535511204 /nfs/dbraw/zinc/51/12/04/535511204.db2.gz ZQCHIOIKCIRKDE-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000449746308 535671522 /nfs/dbraw/zinc/67/15/22/535671522.db2.gz RCZDRVBFLZJOPQ-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435368524 535785514 /nfs/dbraw/zinc/78/55/14/535785514.db2.gz AZRLCGYKLPYKIM-KRWDZBQOSA-N 2 0 298.434 2.836 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CC(C)(C)C2)cc1 ZINC000433167268 535904105 /nfs/dbraw/zinc/90/41/05/535904105.db2.gz MSDDGQXDQCWKNP-UHFFFAOYSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000459730474 536384124 /nfs/dbraw/zinc/38/41/24/536384124.db2.gz KENHULJXACRONQ-GFCCVEGCSA-N 2 0 279.453 2.842 20 0 CFADRP COc1ccc(C[C@H](C)C[NH+]2CCC(C[NH3+])CC2)cc1F ZINC000435369192 536516641 /nfs/dbraw/zinc/51/66/41/536516641.db2.gz DCXBFQFUCQTBAF-ZDUSSCGKSA-N 2 0 294.414 2.684 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000449560953 536692851 /nfs/dbraw/zinc/69/28/51/536692851.db2.gz QYGCQJNPBYEDFB-FFHGMXDLSA-N 2 0 266.429 2.549 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490555672 536797228 /nfs/dbraw/zinc/79/72/28/536797228.db2.gz MOULACNXIYZCCE-UHFFFAOYSA-N 2 0 290.451 2.623 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000540155648 545520272 /nfs/dbraw/zinc/52/02/72/545520272.db2.gz AHDYMZJLHZCACS-JKIFEVAISA-N 2 0 276.424 2.822 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000568162086 545569057 /nfs/dbraw/zinc/56/90/57/545569057.db2.gz NYQMIESSDCOONC-CHWSQXEVSA-N 2 0 280.437 2.599 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000163809777 545588472 /nfs/dbraw/zinc/58/84/72/545588472.db2.gz AGYWUMALJQPHSM-XJKSGUPXSA-N 2 0 261.413 2.853 20 0 CFADRP O[C@H](C[NH2+]C(C1CCCC1)C1CCCC1)C[NH+]1CCCC1 ZINC000754144430 574077159 /nfs/dbraw/zinc/07/71/59/574077159.db2.gz QTDFOTMPDFHAOU-QGZVFWFLSA-N 2 0 294.483 2.782 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000754785410 574120251 /nfs/dbraw/zinc/12/02/51/574120251.db2.gz LDDCMNAKNUEMCI-OWCLPIDISA-N 2 0 294.826 2.590 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1OCCc2ccccc21 ZINC000738312352 574164419 /nfs/dbraw/zinc/16/44/19/574164419.db2.gz QTSZNVRFJZKSIN-SFHVURJKSA-N 2 0 288.435 2.574 20 0 CFADRP Cc1cccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000415115064 574207953 /nfs/dbraw/zinc/20/79/53/574207953.db2.gz YHKNQBJMBVRNDO-WBVHZDCISA-N 2 0 275.440 2.833 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000756116698 574210704 /nfs/dbraw/zinc/21/07/04/574210704.db2.gz NVNFCAOOSNNJMP-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CCCCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000749115651 574280873 /nfs/dbraw/zinc/28/08/73/574280873.db2.gz JTOSKXRZTIYBFG-GJZGRUSLSA-N 2 0 284.444 2.524 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000749349943 574290344 /nfs/dbraw/zinc/29/03/44/574290344.db2.gz DNKYDRYDDBXMDE-UTUOFQBUSA-N 2 0 279.255 2.842 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CCCSC1)[NH+]1CCCCC1 ZINC000753592650 574405793 /nfs/dbraw/zinc/40/57/93/574405793.db2.gz ZUVIOEISZOAYMJ-KBPBESRZSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCCSC1)[NH+]1CCCCC1 ZINC000753592682 574405824 /nfs/dbraw/zinc/40/58/24/574405824.db2.gz ZUVIOEISZOAYMJ-KGLIPLIRSA-N 2 0 256.459 2.736 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccc1Cl ZINC000234694899 617899260 /nfs/dbraw/zinc/89/92/60/617899260.db2.gz KJMOLLDMXWNRSD-OCCSQVGLSA-N 2 0 284.831 2.615 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158173174 618034055 /nfs/dbraw/zinc/03/40/55/618034055.db2.gz ODBPFEFUCYRVDP-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CC3(C[NH+](C)C)CCCC3)C2)CO1 ZINC000926170099 617627527 /nfs/dbraw/zinc/62/75/27/617627527.db2.gz IFBWKSXXKMXQSH-HPUBIQBYSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[N@@H+](Cc1ccco1)CC1CC[NH+](C)CC1 ZINC000891582157 617675376 /nfs/dbraw/zinc/67/53/76/617675376.db2.gz CDTMIBDROMKERJ-UHFFFAOYSA-N 2 0 250.386 2.832 20 0 CFADRP Cc1cc(F)ncc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000891611588 617685130 /nfs/dbraw/zinc/68/51/30/617685130.db2.gz QOIJIUCMBFMMRE-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP CC[N@H+](CCc1cccs1)CC1CC[NH+](C)CC1 ZINC000891690715 617711943 /nfs/dbraw/zinc/71/19/43/617711943.db2.gz COFCTLHCFHSWLQ-UHFFFAOYSA-N 2 0 266.454 2.954 20 0 CFADRP Cc1nc2c(n1CC[C@@H]1CCCC[N@H+]1C)CCCC2 ZINC000234375664 617739153 /nfs/dbraw/zinc/73/91/53/617739153.db2.gz LPNOBZTZGNHFMU-AWEZNQCLSA-N 2 0 261.413 2.945 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)Nc1cc(N)[nH+]cc1Cl ZINC000891794101 617757047 /nfs/dbraw/zinc/75/70/47/617757047.db2.gz UKEYUTOZFVIREP-SNVBAGLBSA-N 2 0 268.792 2.604 20 0 CFADRP C[N@@H+]1C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@]2(C)C1 ZINC000933737572 617765248 /nfs/dbraw/zinc/76/52/48/617765248.db2.gz BFFZWZQLWVVJKB-PBHICJAKSA-N 2 0 270.376 2.816 20 0 CFADRP Nc1cc(N2CCC([NH+]3CCCCC3)CC2)c(Cl)c[nH+]1 ZINC000891891737 617806215 /nfs/dbraw/zinc/80/62/15/617806215.db2.gz CTNNEJZYWKRBPA-UHFFFAOYSA-N 2 0 294.830 2.772 20 0 CFADRP C[NH+]1CCC(CN2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000891906142 617818491 /nfs/dbraw/zinc/81/84/91/617818491.db2.gz FIWRAHHIGCGRAP-KRWDZBQOSA-N 2 0 292.398 2.541 20 0 CFADRP Fc1ccc(/C=C/C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261990553 617848697 /nfs/dbraw/zinc/84/86/97/617848697.db2.gz KFROKRNOFYTWPY-OWOJBTEDSA-N 2 0 274.383 2.914 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000892007402 617912448 /nfs/dbraw/zinc/91/24/48/617912448.db2.gz IDZDSYFMMRZIKN-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)CCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000892045275 617925637 /nfs/dbraw/zinc/92/56/37/617925637.db2.gz TZLFJTPFAYZSLG-UHFFFAOYSA-N 2 0 270.461 2.591 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000892098711 617948398 /nfs/dbraw/zinc/94/83/98/617948398.db2.gz MOXOQKQUTAJUDF-AQFXKWCLSA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2CCC(OC)CC2)C1 ZINC000892121953 617961059 /nfs/dbraw/zinc/96/10/59/617961059.db2.gz WHWKTLKBGJQNET-CGZBRXJRSA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892144659 617973536 /nfs/dbraw/zinc/97/35/36/617973536.db2.gz NWVYJUJZFYXABU-INIZCTEOSA-N 2 0 292.471 2.854 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000892200706 617995987 /nfs/dbraw/zinc/99/59/87/617995987.db2.gz HHFFLJHMRKFVKT-CYBMUJFWSA-N 2 0 258.475 2.792 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(OC)c1 ZINC000051693626 618048963 /nfs/dbraw/zinc/04/89/63/618048963.db2.gz FSLOWXXHUJRJIT-PNESKVBLSA-N 2 0 278.396 2.624 20 0 CFADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050245455 618102276 /nfs/dbraw/zinc/10/22/76/618102276.db2.gz XGOQACOWXMSAFW-ZDUSSCGKSA-N 2 0 270.376 2.629 20 0 CFADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261634221 618155783 /nfs/dbraw/zinc/15/57/83/618155783.db2.gz DRNKQXQNAPCILH-MWDXBVQZSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H](CCCO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926507839 618164940 /nfs/dbraw/zinc/16/49/40/618164940.db2.gz LWHQCKRTTVRCAD-HUUCEWRRSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158784335 618175836 /nfs/dbraw/zinc/17/58/36/618175836.db2.gz PMPKBWBVOIXEEH-AWEZNQCLSA-N 2 0 288.501 2.609 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000052709677 618190529 /nfs/dbraw/zinc/19/05/29/618190529.db2.gz RSIJHKNRSCGBIH-UHFFFAOYSA-N 2 0 267.804 2.509 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926553464 618199163 /nfs/dbraw/zinc/19/91/63/618199163.db2.gz SWVBEWCIEJYTDY-DYVFJYSZSA-N 2 0 276.424 2.560 20 0 CFADRP C[N@H+](Cc1ccc(F)c(F)c1)C1CCC([NH3+])CC1 ZINC000091844813 618202507 /nfs/dbraw/zinc/20/25/07/618202507.db2.gz JJENUWCTULDEIR-UHFFFAOYSA-N 2 0 254.324 2.667 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000308393752 618207391 /nfs/dbraw/zinc/20/73/91/618207391.db2.gz NAVRZKAZUGOTHX-HZPDHXFCSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000926559282 618207856 /nfs/dbraw/zinc/20/78/56/618207856.db2.gz MLSKSQAACFKACP-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926560591 618209682 /nfs/dbraw/zinc/20/96/82/618209682.db2.gz SJPWJYFWWBQMIE-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(OC)n1 ZINC000926568794 618215294 /nfs/dbraw/zinc/21/52/94/618215294.db2.gz WEYJJGWMNJKBPE-OAHLLOKOSA-N 2 0 296.374 2.979 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000926600147 618227124 /nfs/dbraw/zinc/22/71/24/618227124.db2.gz UFJACRMMQCUSDG-RDJZCZTQSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185757482 618246764 /nfs/dbraw/zinc/24/67/64/618246764.db2.gz NJLXZYGFZOKTAR-JDRGJFMNSA-N 2 0 256.821 2.982 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925567003 618248412 /nfs/dbraw/zinc/24/84/12/618248412.db2.gz MYLOQBJNVMOBGN-PMPSAXMXSA-N 2 0 293.499 2.747 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925575524 618256899 /nfs/dbraw/zinc/25/68/99/618256899.db2.gz VMISMMDBLYUCER-UAGQMJEPSA-N 2 0 275.440 2.539 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924527494 618260251 /nfs/dbraw/zinc/26/02/51/618260251.db2.gz SUSZYHIFFUOEFI-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP Clc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000092366765 618263463 /nfs/dbraw/zinc/26/34/63/618263463.db2.gz GVRAPHPONBSCRE-CQSZACIVSA-N 2 0 279.815 2.699 20 0 CFADRP Cc1cc(CNCC(C)(C)C[NH+]2CCCC2)cnc1F ZINC000894001394 618269034 /nfs/dbraw/zinc/26/90/34/618269034.db2.gz WBKQDFQHOLJOTK-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CCC(C[NH+](C)C)CC3)C2)CO1 ZINC000925594648 618280785 /nfs/dbraw/zinc/28/07/85/618280785.db2.gz LQXCTNRVVKDXCX-SIGVMEELSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000894039464 618284045 /nfs/dbraw/zinc/28/40/45/618284045.db2.gz TUSZPEFQBXVNDA-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(CNCCC[NH+]2CCC(C)CC2)cnc1F ZINC000892460177 618296813 /nfs/dbraw/zinc/29/68/13/618296813.db2.gz NULZGPMNAGLSFG-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)C1 ZINC000925608248 618301286 /nfs/dbraw/zinc/30/12/86/618301286.db2.gz UQABVXTVXIEPCK-HZPDHXFCSA-N 2 0 298.434 2.868 20 0 CFADRP CCC[C@@](C)(O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925611096 618309875 /nfs/dbraw/zinc/30/98/75/618309875.db2.gz KFYWNWLZDQZDBD-HZPDHXFCSA-N 2 0 264.413 2.607 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925614595 618314985 /nfs/dbraw/zinc/31/49/85/618314985.db2.gz CYKDJKSRCFNDQO-KBPBESRZSA-N 2 0 256.434 2.558 20 0 CFADRP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925110976 618320643 /nfs/dbraw/zinc/32/06/43/618320643.db2.gz JVNRVTNQCMHEMT-DVOMOZLQSA-N 2 0 296.480 2.511 20 0 CFADRP Cc1ncc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)s1 ZINC000925618095 618327246 /nfs/dbraw/zinc/32/72/46/618327246.db2.gz SNMABHUPSYJHGF-CVEARBPZSA-N 2 0 293.480 2.752 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1ccncc1)c1ccccc1 ZINC000925617969 618329591 /nfs/dbraw/zinc/32/95/91/618329591.db2.gz YODLGWQACSCRIT-KRWDZBQOSA-N 2 0 269.392 2.694 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(OC)o1 ZINC000893321677 618339993 /nfs/dbraw/zinc/33/99/93/618339993.db2.gz GKMSXXYYHCRMKK-CYBMUJFWSA-N 2 0 268.401 2.888 20 0 CFADRP COC[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C)o1 ZINC000925622031 618340176 /nfs/dbraw/zinc/34/01/76/618340176.db2.gz IJVHNHSTCDYANL-RDBSUJKOSA-N 2 0 280.412 2.771 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCSC(C)(C)CC2)CC1 ZINC000894111701 618345857 /nfs/dbraw/zinc/34/58/57/618345857.db2.gz KEPFNOLWQLIYQY-UHFFFAOYSA-N 2 0 256.459 2.546 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)C12CCC2 ZINC000925625015 618347802 /nfs/dbraw/zinc/34/78/02/618347802.db2.gz FRKOZVJYHKKDSB-HUUCEWRRSA-N 2 0 294.826 2.716 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925626282 618349131 /nfs/dbraw/zinc/34/91/31/618349131.db2.gz PIBCDFFAZIVMRR-STQMWFEESA-N 2 0 256.459 2.625 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCSCC(F)(F)F)C1 ZINC000925627861 618354130 /nfs/dbraw/zinc/35/41/30/618354130.db2.gz ALCUZVROYFKQJU-VHSXEESVSA-N 2 0 284.391 2.778 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCSCC(F)(F)F)C1 ZINC000925627860 618354506 /nfs/dbraw/zinc/35/45/06/618354506.db2.gz ALCUZVROYFKQJU-UWVGGRQHSA-N 2 0 284.391 2.778 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000895136799 618365237 /nfs/dbraw/zinc/36/52/37/618365237.db2.gz KFHQHABRZUYXOG-STQMWFEESA-N 2 0 291.277 2.727 20 0 CFADRP C[C@@H](CCO)C1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925635138 618367557 /nfs/dbraw/zinc/36/75/57/618367557.db2.gz MMEFHWCRFDFUGT-XUWVNRHRSA-N 2 0 294.483 2.541 20 0 CFADRP CCN(CC)[C@H](CNC(=[NH2+])NC(C)C)c1ccccc1 ZINC000052040986 618369318 /nfs/dbraw/zinc/36/93/18/618369318.db2.gz BSRFFNQRFUTZHZ-OAHLLOKOSA-N 2 0 276.428 2.592 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)CC1 ZINC000895144008 618378040 /nfs/dbraw/zinc/37/80/40/618378040.db2.gz FSFRWCYBESWZIZ-UHFFFAOYSA-N 2 0 294.336 2.695 20 0 CFADRP CC[N@H+](CCC[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000895145317 618379806 /nfs/dbraw/zinc/37/98/06/618379806.db2.gz QWQHKWWYOCUCCN-UHFFFAOYSA-N 3 0 295.515 2.963 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000926665524 618381371 /nfs/dbraw/zinc/38/13/71/618381371.db2.gz GOECPCICFMGPTP-UKPHBRMFSA-N 2 0 273.424 2.853 20 0 CFADRP Cc1cc(F)ncc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000893331061 618384661 /nfs/dbraw/zinc/38/46/61/618384661.db2.gz LVNWRRAOEUYJDB-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925645722 618388774 /nfs/dbraw/zinc/38/87/74/618388774.db2.gz RVRITUUHVMHQHX-HZPDHXFCSA-N 2 0 290.451 2.910 20 0 CFADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894142728 618391986 /nfs/dbraw/zinc/39/19/86/618391986.db2.gz QCOMKFIZRWTJPC-ZYHUDNBSSA-N 2 0 264.335 2.601 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000894144103 618394532 /nfs/dbraw/zinc/39/45/32/618394532.db2.gz MTMHCVADQDDRGS-ZWKOTPCHSA-N 2 0 290.451 2.820 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925648446 618395171 /nfs/dbraw/zinc/39/51/71/618395171.db2.gz BOTALPLGERIUTE-XAWIXRBMSA-N 2 0 294.483 2.950 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC(C)(O)CC2)c1 ZINC000893334090 618395903 /nfs/dbraw/zinc/39/59/03/618395903.db2.gz XNXBDRWXHFBRGF-UHFFFAOYSA-N 2 0 276.424 2.531 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925649825 618400630 /nfs/dbraw/zinc/40/06/30/618400630.db2.gz OWEGUEOIXGNTTG-INIZCTEOSA-N 2 0 278.440 2.997 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000311051229 618401386 /nfs/dbraw/zinc/40/13/86/618401386.db2.gz QSBUOKAPOAOZTB-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP CCOC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925650864 618402008 /nfs/dbraw/zinc/40/20/08/618402008.db2.gz ZPDRSFLZUGSJCY-MJBXVCDLSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000235724108 618422418 /nfs/dbraw/zinc/42/24/18/618422418.db2.gz ZUKSWYWWVWTZRD-GXTWGEPZSA-N 2 0 250.361 2.646 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000261764993 618422629 /nfs/dbraw/zinc/42/26/29/618422629.db2.gz OALFPJYSYZBYIG-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000925662476 618426166 /nfs/dbraw/zinc/42/61/66/618426166.db2.gz IVBYHLIQXOWKTO-IWCVFHTOSA-N 2 0 287.451 2.681 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261775918 618426978 /nfs/dbraw/zinc/42/69/78/618426978.db2.gz DZYZYMVXQFDYIC-CJNGLKHVSA-N 2 0 274.408 2.645 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc[nH]2)c1 ZINC000894191293 618436694 /nfs/dbraw/zinc/43/66/94/618436694.db2.gz IMXWUJGWIGGPHC-UHFFFAOYSA-N 2 0 272.396 2.541 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2COc3ccccc32)C1 ZINC000925668891 618437274 /nfs/dbraw/zinc/43/72/74/618437274.db2.gz LKQJZQZBRBGIJO-BFHYXJOUSA-N 2 0 274.408 2.658 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C1 ZINC000925671865 618443047 /nfs/dbraw/zinc/44/30/47/618443047.db2.gz SDRBDVYCNZANST-LSDHHAIUSA-N 2 0 287.451 2.999 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000926697511 618444708 /nfs/dbraw/zinc/44/47/08/618444708.db2.gz JYKLFJSWRKAUGB-AWEZNQCLSA-N 2 0 290.398 2.511 20 0 CFADRP FC1(F)CCCC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925672303 618444813 /nfs/dbraw/zinc/44/48/13/618444813.db2.gz HAZZTLBNLBWTJE-XDSHMYFISA-N 2 0 284.394 2.788 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925674880 618445475 /nfs/dbraw/zinc/44/54/75/618445475.db2.gz DUVUJRRHBVWUNL-KFWWJZLASA-N 2 0 269.477 2.602 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000925677426 618454130 /nfs/dbraw/zinc/45/41/30/618454130.db2.gz PQYJHKSALFFZBR-AEFFLSMTSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C12CCC2 ZINC000925678181 618455740 /nfs/dbraw/zinc/45/57/40/618455740.db2.gz DBHFUFWKQQQAQX-DJIMGWMZSA-N 2 0 270.420 2.966 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(C(C)(C)C)C1)[NH2+]2 ZINC000925678257 618456070 /nfs/dbraw/zinc/45/60/70/618456070.db2.gz UAEPXVKTOUILIX-SEAGRDHOSA-N 2 0 250.430 2.930 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C12CCC2 ZINC000925678570 618456136 /nfs/dbraw/zinc/45/61/36/618456136.db2.gz VWYUXGVMLDUROS-JONQDZQNSA-N 2 0 256.393 2.650 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1)[NH2+]2 ZINC000925678258 618456278 /nfs/dbraw/zinc/45/62/78/618456278.db2.gz UAEPXVKTOUILIX-ZVYKTRIMSA-N 2 0 250.430 2.930 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000925679035 618456299 /nfs/dbraw/zinc/45/62/99/618456299.db2.gz HEZOITVCWDVDKF-KCXRBIIJSA-N 2 0 299.340 2.706 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925678714 618456831 /nfs/dbraw/zinc/45/68/31/618456831.db2.gz WXOWVMIJYLEEMY-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C12CCC2 ZINC000925680319 618459672 /nfs/dbraw/zinc/45/96/72/618459672.db2.gz QDLCJOXHAUNFMI-KGLIPLIRSA-N 2 0 298.789 2.717 20 0 CFADRP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)C1CCCCC1 ZINC000066245362 618471573 /nfs/dbraw/zinc/47/15/73/618471573.db2.gz ZWLDQFBXWNZVOM-HNNXBMFYSA-N 2 0 280.460 2.553 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC1(F)F ZINC000925684064 618472294 /nfs/dbraw/zinc/47/22/94/618472294.db2.gz ZAKGSRXFOVEWPC-HXFVIYLFSA-N 2 0 258.356 2.527 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCCO1 ZINC000895223795 618483909 /nfs/dbraw/zinc/48/39/09/618483909.db2.gz BVPCLFUBZFAERN-AQBKWJQSSA-N 2 0 266.429 2.549 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294541 618514029 /nfs/dbraw/zinc/51/40/29/618514029.db2.gz QSIHPCCGHXWWOU-CHWSQXEVSA-N 2 0 254.443 2.999 20 0 CFADRP C[C@@H](CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000895296199 618517811 /nfs/dbraw/zinc/51/78/11/618517811.db2.gz AJVKWHGYXPDLQN-RYRKJORJSA-N 2 0 295.515 2.959 20 0 CFADRP Cc1ncccc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895376783 618555714 /nfs/dbraw/zinc/55/57/14/618555714.db2.gz JSIJIRCRHKLKJP-PBHICJAKSA-N 2 0 275.440 2.942 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000895376691 618556126 /nfs/dbraw/zinc/55/61/26/618556126.db2.gz IFSSLIRXQSFXAP-GOEBONIOSA-N 2 0 263.429 2.577 20 0 CFADRP COCCCC1(C[NH2+]CC[C@@H](C)[NH+](C)C)CCC1 ZINC000895427678 618576681 /nfs/dbraw/zinc/57/66/81/618576681.db2.gz DCCPOAFLHXGJCF-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000895421648 618582171 /nfs/dbraw/zinc/58/21/71/618582171.db2.gz RFSFMSIEFLOKNO-CZUORRHYSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000895421646 618582277 /nfs/dbraw/zinc/58/22/77/618582277.db2.gz RFSFMSIEFLOKNO-BBRMVZONSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924571294 618619669 /nfs/dbraw/zinc/61/96/69/618619669.db2.gz FGYRWMOIPHWHOA-HOTGVXAUSA-N 2 0 275.440 2.867 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000892586566 618643867 /nfs/dbraw/zinc/64/38/67/618643867.db2.gz LNMYANASOOGNQC-HZPDHXFCSA-N 2 0 280.362 2.724 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000924580052 618660717 /nfs/dbraw/zinc/66/07/17/618660717.db2.gz SQAQENNOEPJRDV-GOSISDBHSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]Cc1cn2ccnc2s1 ZINC000892732945 618735441 /nfs/dbraw/zinc/73/54/41/618735441.db2.gz SSKVCOMIGUFBNV-UHFFFAOYSA-N 2 0 294.468 2.998 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000309623520 618738013 /nfs/dbraw/zinc/73/80/13/618738013.db2.gz PQGKWJPXAMKHMQ-JTQLQIEISA-N 2 0 265.228 2.643 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000892745514 618738434 /nfs/dbraw/zinc/73/84/34/618738434.db2.gz RCNWLFWSZRBWND-CYBMUJFWSA-N 2 0 264.388 2.861 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1 ZINC000892748276 618739254 /nfs/dbraw/zinc/73/92/54/618739254.db2.gz DBFMNIHHNQKCNZ-KGLIPLIRSA-N 2 0 297.402 2.916 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000892935689 618773033 /nfs/dbraw/zinc/77/30/33/618773033.db2.gz AJVBCNOSUSNTRA-UHFFFAOYSA-N 2 0 294.468 2.627 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2CCC(OC)CC2)CC1 ZINC000892935715 618773242 /nfs/dbraw/zinc/77/32/42/618773242.db2.gz BGOZKGRWQSEKEJ-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](NCCC(C)(C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309786369 618774399 /nfs/dbraw/zinc/77/43/99/618774399.db2.gz NBFZWBXFLXKIDZ-RDJZCZTQSA-N 2 0 289.467 2.614 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000314075153 618774914 /nfs/dbraw/zinc/77/49/14/618774914.db2.gz BMRLRINDHYELTE-HNNXBMFYSA-N 2 0 286.419 2.628 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000314075156 618774975 /nfs/dbraw/zinc/77/49/75/618774975.db2.gz BMRLRINDHYELTE-OAHLLOKOSA-N 2 0 286.419 2.628 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(OCC(F)F)c2)CC1 ZINC000892944199 618776635 /nfs/dbraw/zinc/77/66/35/618776635.db2.gz HIWPNVJQPRQHCR-UHFFFAOYSA-N 2 0 298.377 2.762 20 0 CFADRP Cc1ccccc1O[C@@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000893061932 618817384 /nfs/dbraw/zinc/81/73/84/618817384.db2.gz PQPJDELVOBGYBA-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cn3ccnc3s2)CC1 ZINC000893066088 618818909 /nfs/dbraw/zinc/81/89/09/618818909.db2.gz GJWKTGQYKAEQLF-UHFFFAOYSA-N 2 0 292.452 2.607 20 0 CFADRP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925505393 618833667 /nfs/dbraw/zinc/83/36/67/618833667.db2.gz NTIZSGFVLWTVFN-JKSUJKDBSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925509437 618843791 /nfs/dbraw/zinc/84/37/91/618843791.db2.gz WJIPPDNGHGFJBF-VDNDLQMASA-N 2 0 288.435 2.606 20 0 CFADRP c1ccc(SCCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925510347 618847092 /nfs/dbraw/zinc/84/70/92/618847092.db2.gz VCLAREKNPHRXCH-AYIQCDPPSA-N 2 0 288.460 2.755 20 0 CFADRP C[NH+](C)C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925512583 618851122 /nfs/dbraw/zinc/85/11/22/618851122.db2.gz DDRLITFYUFDGEQ-ZACQAIPSSA-N 2 0 289.467 2.785 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925516223 618855310 /nfs/dbraw/zinc/85/53/10/618855310.db2.gz WIGZGNTUVWGMCU-BMFZPTHFSA-N 2 0 274.408 2.622 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C[C@@H]([NH3+])C1 ZINC000925516674 618855698 /nfs/dbraw/zinc/85/56/98/618855698.db2.gz IMZQPNWSUZEEEQ-ILXRZTDVSA-N 2 0 296.842 2.869 20 0 CFADRP CC(C)COCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N ZINC000925522246 618861341 /nfs/dbraw/zinc/86/13/41/618861341.db2.gz YNFQFGURATXFBW-GDBMZVCRSA-N 2 0 264.413 2.727 20 0 CFADRP Cc1cccc([C@@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925523842 618866100 /nfs/dbraw/zinc/86/61/00/618866100.db2.gz VLQHLAPLHBNYSA-HOCLYGCPSA-N 2 0 258.409 2.973 20 0 CFADRP CC(C)c1nnc(C[NH2+]C2CCC(C[NH+](C)C)CC2)s1 ZINC000893186936 618872050 /nfs/dbraw/zinc/87/20/50/618872050.db2.gz IRVIRWXQQHNQSZ-UHFFFAOYSA-N 2 0 296.484 2.872 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)nc21 ZINC000925526688 618872758 /nfs/dbraw/zinc/87/27/58/618872758.db2.gz JYGYGBRNTZCAPZ-ZIAGYGMSSA-N 2 0 285.391 2.538 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925527169 618873721 /nfs/dbraw/zinc/87/37/21/618873721.db2.gz MTKJZPJCCXFHRJ-CABCVRRESA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccccc1 ZINC000925527802 618876592 /nfs/dbraw/zinc/87/65/92/618876592.db2.gz QWRCLYZYBHADRC-QGZVFWFLSA-N 2 0 290.451 2.999 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925528517 618879706 /nfs/dbraw/zinc/87/97/06/618879706.db2.gz VNHREXFPMMUHMU-SJORKVTESA-N 2 0 296.499 2.933 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925530521 618882609 /nfs/dbraw/zinc/88/26/09/618882609.db2.gz SEVAZNKMATVPPM-ULQDDVLXSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925534954 618887647 /nfs/dbraw/zinc/88/76/47/618887647.db2.gz ALXNDGXEHMMULP-ZBFHGGJFSA-N 2 0 281.488 2.602 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000925543495 618904056 /nfs/dbraw/zinc/90/40/56/618904056.db2.gz UYXPMIRNBLXXGY-HRCADAONSA-N 2 0 276.424 2.870 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925551133 618912210 /nfs/dbraw/zinc/91/22/10/618912210.db2.gz QMZBPJYFKLHIDS-JKSUJKDBSA-N 2 0 274.408 2.623 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925563846 618927344 /nfs/dbraw/zinc/92/73/44/618927344.db2.gz WMMDTKOXYQGVOY-SJORKVTESA-N 2 0 273.424 2.648 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000309996016 618929101 /nfs/dbraw/zinc/92/91/01/618929101.db2.gz BSTQWEFFVPWVKC-IAGOWNOFSA-N 2 0 276.424 2.666 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194214477 618933450 /nfs/dbraw/zinc/93/34/50/618933450.db2.gz GPSWRAADLBGUIP-MRXNPFEDSA-N 2 0 266.429 2.781 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CS1 ZINC000925692741 618938236 /nfs/dbraw/zinc/93/82/36/618938236.db2.gz AVKSZEXVYAISJQ-VHDGCEQUSA-N 2 0 264.438 2.950 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695455 618945377 /nfs/dbraw/zinc/94/53/77/618945377.db2.gz RINFDAKLPXEOKJ-VNQPRFMTSA-N 2 0 273.424 2.652 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925695877 618947730 /nfs/dbraw/zinc/94/77/30/618947730.db2.gz XWAOEFRJAQMSGL-QZTJIDSGSA-N 2 0 287.451 2.956 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NCC[C@@H]1CCc2ccccc2N1 ZINC000925701568 618955055 /nfs/dbraw/zinc/95/50/55/618955055.db2.gz BHQYUFCUUKGLTE-HOCLYGCPSA-N 2 0 273.424 2.534 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925703028 618956656 /nfs/dbraw/zinc/95/66/56/618956656.db2.gz RZRRFWSWKZNAJT-LIBFEPKXSA-N 2 0 289.250 2.546 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925703029 618956782 /nfs/dbraw/zinc/95/67/82/618956782.db2.gz RZRRFWSWKZNAJT-MCDVFOBDSA-N 2 0 289.250 2.546 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc(C)n1 ZINC000925704921 618959056 /nfs/dbraw/zinc/95/90/56/618959056.db2.gz INHFPMQGMLLOPW-ROUUACIJSA-N 2 0 287.451 2.956 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925706797 618961035 /nfs/dbraw/zinc/96/10/35/618961035.db2.gz KNDHNICNYPOXNV-HUUCEWRRSA-N 2 0 261.413 2.573 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925706569 618961357 /nfs/dbraw/zinc/96/13/57/618961357.db2.gz LSPWGTODJWVONK-UONOGXRCSA-N 2 0 290.455 2.683 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1(F)F ZINC000925707678 618962002 /nfs/dbraw/zinc/96/20/02/618962002.db2.gz QFMLZJFZHXHLHX-OUAUKWLOSA-N 2 0 260.372 2.773 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CCC(F)CC1 ZINC000925708314 618962394 /nfs/dbraw/zinc/96/23/94/618962394.db2.gz SESJWMCVMFYNBK-FDZXDKCCSA-N 2 0 254.393 2.763 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)O1 ZINC000925711694 618965170 /nfs/dbraw/zinc/96/51/70/618965170.db2.gz VDULYPFVRAWXLS-SIXLDLHFSA-N 2 0 280.456 2.702 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925713988 618969035 /nfs/dbraw/zinc/96/90/35/618969035.db2.gz ZUUCUHBEZVOKGO-ZACQAIPSSA-N 3 0 289.467 2.962 20 0 CFADRP Nc1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925714687 618970902 /nfs/dbraw/zinc/97/09/02/618970902.db2.gz UUOOMVJSIFTWGN-KRWDZBQOSA-N 2 0 269.392 2.839 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925717339 618974779 /nfs/dbraw/zinc/97/47/79/618974779.db2.gz JGTSIJAXVYJYFR-DLBZAZTESA-N 2 0 273.424 2.648 20 0 CFADRP Cc1ccc(CCN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000257671754 618988590 /nfs/dbraw/zinc/98/85/90/618988590.db2.gz IPOKIQSQVILRIW-QGZVFWFLSA-N 2 0 258.409 2.756 20 0 CFADRP Fc1cccc(CCCN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000257707199 618993060 /nfs/dbraw/zinc/99/30/60/618993060.db2.gz RPZWGDAZPHCWSN-INIZCTEOSA-N 2 0 262.372 2.586 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1CCSC1 ZINC000925724970 619003131 /nfs/dbraw/zinc/00/31/31/619003131.db2.gz OOXAWRMCRPEFQH-DYALKNRASA-N 2 0 268.470 2.625 20 0 CFADRP C[C@H]1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC000893494982 619019986 /nfs/dbraw/zinc/01/99/86/619019986.db2.gz UBZJKTPDUXNWDV-HOCLYGCPSA-N 2 0 250.430 2.840 20 0 CFADRP Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451661 619024124 /nfs/dbraw/zinc/02/41/24/619024124.db2.gz LNPLLHVWSWVBES-BBWFWOEESA-N 2 0 276.399 2.879 20 0 CFADRP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093450899 619024193 /nfs/dbraw/zinc/02/41/93/619024193.db2.gz LOTDKLNWBGYSDR-OIISXLGYSA-N 2 0 276.399 2.879 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925730096 619031429 /nfs/dbraw/zinc/03/14/29/619031429.db2.gz NBWZABVUFWBDNZ-IRXDYDNUSA-N 2 0 291.414 2.666 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925730094 619031508 /nfs/dbraw/zinc/03/15/08/619031508.db2.gz NBWZABVUFWBDNZ-DLBZAZTESA-N 2 0 291.414 2.666 20 0 CFADRP CCSc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000925733448 619042536 /nfs/dbraw/zinc/04/25/36/619042536.db2.gz UQHIWXJUNBYHII-OCCSQVGLSA-N 2 0 264.438 2.886 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000925738031 619048103 /nfs/dbraw/zinc/04/81/03/619048103.db2.gz MDCZWMCNFLAYAF-HIFRSBDPSA-N 2 0 261.413 2.825 20 0 CFADRP COC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(Cl)c1 ZINC000925737764 619048375 /nfs/dbraw/zinc/04/83/75/619048375.db2.gz KVQOYZQFTSSTEV-CYBMUJFWSA-N 2 0 270.804 2.745 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000925740275 619049952 /nfs/dbraw/zinc/04/99/52/619049952.db2.gz HNVQUVVMFUNNBZ-GDBMZVCRSA-N 2 0 276.424 2.871 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893598030 619084797 /nfs/dbraw/zinc/08/47/97/619084797.db2.gz QYIBZMNPODIGGF-WAAKLRNESA-N 2 0 264.335 2.932 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777180 619098843 /nfs/dbraw/zinc/09/88/43/619098843.db2.gz OPWHYTSXGAINMP-UTUOFQBUSA-N 2 0 260.372 2.646 20 0 CFADRP CC(C)N(C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094372108 619106670 /nfs/dbraw/zinc/10/66/70/619106670.db2.gz FAIHUCSOEULIOL-OAHLLOKOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cnn(-c2ccccc2)c1 ZINC000317206458 619108048 /nfs/dbraw/zinc/10/80/48/619108048.db2.gz JCNLQWVUHJVMOD-LSDHHAIUSA-N 2 0 295.390 2.808 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785859 619110855 /nfs/dbraw/zinc/11/08/55/619110855.db2.gz PGGCLLPLEJEFOX-YCPHGPKFSA-N 2 0 274.408 2.654 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925786619 619111408 /nfs/dbraw/zinc/11/14/08/619111408.db2.gz XGCKFBDJURTEIB-GHMZBOCLSA-N 2 0 274.380 2.952 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000925791894 619116898 /nfs/dbraw/zinc/11/68/98/619116898.db2.gz SRXUQIWDRYVLRE-XWIASGKRSA-N 2 0 252.427 2.871 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000925802785 619123235 /nfs/dbraw/zinc/12/32/35/619123235.db2.gz IWBYCILQYGUOLQ-HPFXQQBRSA-N 2 0 287.451 2.943 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803437 619123706 /nfs/dbraw/zinc/12/37/06/619123706.db2.gz OLWUBVYGBIMACO-SRABZTEZSA-N 2 0 276.424 2.598 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925803525 619123948 /nfs/dbraw/zinc/12/39/48/619123948.db2.gz ZLDWNRNSKWPCFN-VAQLIOGMSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000925804029 619124008 /nfs/dbraw/zinc/12/40/08/619124008.db2.gz YAVGIWFPYWSYMK-IOASZLSFSA-N 2 0 274.408 2.605 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C2CC2)c1 ZINC000925817416 619135895 /nfs/dbraw/zinc/13/58/95/619135895.db2.gz RPHSLHQQLONGEP-CQSZACIVSA-N 2 0 287.451 2.638 20 0 CFADRP C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000925822855 619143843 /nfs/dbraw/zinc/14/38/43/619143843.db2.gz ORRXJODYZPSJPO-BJJXKVORSA-N 2 0 259.397 2.510 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000893654251 619146301 /nfs/dbraw/zinc/14/63/01/619146301.db2.gz UVFHYHIJPQEECL-YJBOKZPZSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925826342 619151361 /nfs/dbraw/zinc/15/13/61/619151361.db2.gz MZVCAHWGTLKQPS-BFYDXBDKSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925833872 619165028 /nfs/dbraw/zinc/16/50/28/619165028.db2.gz LDJZZBZOHWCYHT-GRYCIOLGSA-N 2 0 282.350 2.594 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261585856 619173495 /nfs/dbraw/zinc/17/34/95/619173495.db2.gz TZHUVYCQBQRUMS-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261591484 619173774 /nfs/dbraw/zinc/17/37/74/619173774.db2.gz LXUPHJOAIZQFRY-IAGOWNOFSA-N 2 0 256.393 2.749 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261596531 619174288 /nfs/dbraw/zinc/17/42/88/619174288.db2.gz KJJVLDBTEHOWGA-BRWVUGGUSA-N 3 0 293.499 2.619 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844024 619176503 /nfs/dbraw/zinc/17/65/03/619176503.db2.gz IMLPFNBIXPFCDT-MRXNPFEDSA-N 2 0 281.488 2.620 20 0 CFADRP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000925848964 619182305 /nfs/dbraw/zinc/18/23/05/619182305.db2.gz MCPIIHNGGCVQRD-GOSISDBHSA-N 2 0 289.467 2.803 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925862384 619188631 /nfs/dbraw/zinc/18/86/31/619188631.db2.gz ZWPJTRVSAPLPHT-RYUDHWBXSA-N 2 0 254.443 2.535 20 0 CFADRP CCC[N@H+](CC)CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261657298 619189140 /nfs/dbraw/zinc/18/91/40/619189140.db2.gz WJXVHSKWCZXSFS-BRWVUGGUSA-N 2 0 281.488 2.619 20 0 CFADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCCCC[C@@H]3[NH3+])C2)n1 ZINC000925873519 619194368 /nfs/dbraw/zinc/19/43/68/619194368.db2.gz RIPBTIZNEWXDNJ-RFGFWPKPSA-N 2 0 292.427 2.518 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000925875244 619195800 /nfs/dbraw/zinc/19/58/00/619195800.db2.gz DMDAJNFUXQPAJT-HYVNUMGLSA-N 2 0 290.451 2.979 20 0 CFADRP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000925875670 619196172 /nfs/dbraw/zinc/19/61/72/619196172.db2.gz LPINJAOUGRSENB-UTUOFQBUSA-N 2 0 296.386 2.621 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000925875783 619196443 /nfs/dbraw/zinc/19/64/43/619196443.db2.gz NJXNBQQRJHTRFW-UIBIWLFHSA-N 3 0 293.499 2.747 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880743 619201221 /nfs/dbraw/zinc/20/12/21/619201221.db2.gz OBQQMOLHADIZBY-RYQLBKOJSA-N 2 0 288.435 2.798 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000925882136 619202316 /nfs/dbraw/zinc/20/23/16/619202316.db2.gz XNWRCIKZMBKMKU-LESCRADOSA-N 2 0 288.435 2.668 20 0 CFADRP CC[N@H+](CCNC1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000924909675 619276141 /nfs/dbraw/zinc/27/61/41/619276141.db2.gz PEASYNIBXRKWPV-UHFFFAOYSA-N 2 0 283.504 2.817 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)C2(Br)CC2)CC1 ZINC000924954245 619300211 /nfs/dbraw/zinc/30/02/11/619300211.db2.gz IFHUTVPSFHBCTR-LLVKDONJSA-N 2 0 289.261 2.624 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000924960686 619304016 /nfs/dbraw/zinc/30/40/16/619304016.db2.gz QQVGCBTUKWRGAQ-QWHCGFSZSA-N 2 0 258.837 2.856 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924962798 619305449 /nfs/dbraw/zinc/30/54/49/619305449.db2.gz GPACUBOCXNWPIA-WMZOPIPTSA-N 2 0 287.451 2.724 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000925013243 619333128 /nfs/dbraw/zinc/33/31/28/619333128.db2.gz ZTJKOCQKLBIIBY-RYRKJORJSA-N 2 0 287.451 2.724 20 0 CFADRP c1nc(C2CCC2)sc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261949841 619346314 /nfs/dbraw/zinc/34/63/14/619346314.db2.gz FTZJWMVHKTXLHP-UHFFFAOYSA-N 2 0 291.464 2.986 20 0 CFADRP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925046731 619356337 /nfs/dbraw/zinc/35/63/37/619356337.db2.gz RKXGRCFADDEDTO-DOTOQJQBSA-N 2 0 284.488 2.884 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894375757 619356808 /nfs/dbraw/zinc/35/68/08/619356808.db2.gz NPMKVJQXIVGJGK-ROUUACIJSA-N 2 0 295.515 2.820 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894375741 619356857 /nfs/dbraw/zinc/35/68/57/619356857.db2.gz NPMKVJQXIVGJGK-MSOLQXFVSA-N 2 0 295.515 2.820 20 0 CFADRP Cc1nn(C(C)C)c(C)c1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000894457304 619390202 /nfs/dbraw/zinc/39/02/02/619390202.db2.gz XXVOEIVIZAAVOD-MRXNPFEDSA-N 2 0 292.471 2.901 20 0 CFADRP COC1CCC(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)CC1 ZINC000894495872 619402861 /nfs/dbraw/zinc/40/28/61/619402861.db2.gz MILDGKBBZYUYMQ-MYBQVCMBSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc3c2NCCC3)CC1 ZINC000894565359 619420177 /nfs/dbraw/zinc/42/01/77/619420177.db2.gz FEEHQUCQKYXGRL-KRWDZBQOSA-N 2 0 287.451 2.961 20 0 CFADRP CCc1onc(C)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000894626567 619432542 /nfs/dbraw/zinc/43/25/42/619432542.db2.gz XGEOYDWOGIFPED-UHFFFAOYSA-N 2 0 279.428 2.901 20 0 CFADRP Cc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cnc1F ZINC000894730375 619452048 /nfs/dbraw/zinc/45/20/48/619452048.db2.gz GMIXBHUTJUSJHC-UHFFFAOYSA-N 2 0 267.392 2.739 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@H]1C[C@]1(C)Br ZINC000894731711 619452374 /nfs/dbraw/zinc/45/23/74/619452374.db2.gz UJJFOKBKGZHEQN-YPMHNXCESA-N 2 0 291.277 2.870 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894742550 619455610 /nfs/dbraw/zinc/45/56/10/619455610.db2.gz IHABTOLZJVMKMZ-RLAWYHOSSA-N 2 0 256.459 2.733 20 0 CFADRP Cc1coc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000894780020 619465395 /nfs/dbraw/zinc/46/53/95/619465395.db2.gz VEYNHUWIVLLECL-OAHLLOKOSA-N 2 0 262.397 2.752 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(C)(CC(F)(F)F)C2)CC1 ZINC000894839938 619479599 /nfs/dbraw/zinc/47/95/99/619479599.db2.gz LEMULGXWXOZMLU-UHFFFAOYSA-N 2 0 264.335 2.603 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000894977240 619520497 /nfs/dbraw/zinc/52/04/97/619520497.db2.gz IXXBDLSHDRYPRQ-IKWCTNDRSA-N 2 0 289.261 2.622 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](C)COC)CC1 ZINC000895554120 619553790 /nfs/dbraw/zinc/55/37/90/619553790.db2.gz RCXPUAKCLTURCK-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP COC1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CCCC1 ZINC000895556892 619554671 /nfs/dbraw/zinc/55/46/71/619554671.db2.gz MIAZCKFEXXFSJR-OAHLLOKOSA-N 2 0 289.423 2.551 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+]CC2CC[NH+](C)CC2)nc1 ZINC000895586279 619560890 /nfs/dbraw/zinc/56/08/90/619560890.db2.gz YTEZFRFGIDMPSO-UHFFFAOYSA-N 2 0 275.440 2.599 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCC=CO1 ZINC000895682134 619585390 /nfs/dbraw/zinc/58/53/90/619585390.db2.gz BCHKXGLFWMTVJE-INIZCTEOSA-N 2 0 266.429 2.877 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCSC1 ZINC000895683835 619585667 /nfs/dbraw/zinc/58/56/67/619585667.db2.gz UIRRKWYCBRKAJE-OAHLLOKOSA-N 2 0 270.486 2.937 20 0 CFADRP COCCCC1(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC000895846200 619621239 /nfs/dbraw/zinc/62/12/39/619621239.db2.gz ZSEVYNCIYDEJSZ-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP FC1(F)CCC[C@@H]1CCN1CCC2(CC[NH2+]2)CC1 ZINC000883433380 619757574 /nfs/dbraw/zinc/75/75/74/619757574.db2.gz OPOHXJPUXZSUCV-GFCCVEGCSA-N 2 0 258.356 2.640 20 0 CFADRP CCc1nnc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)s1 ZINC000896951702 619903433 /nfs/dbraw/zinc/90/34/33/619903433.db2.gz RANZRBXXZOXLMI-UHFFFAOYSA-N 2 0 294.468 2.597 20 0 CFADRP C[C@H]([NH2+]CCCn1ccnc1)c1ccc(Cl)cc1[O-] ZINC000144739048 620012235 /nfs/dbraw/zinc/01/22/35/620012235.db2.gz OXLOKFVTFLYOBL-NSHDSACASA-N 2 0 279.771 2.983 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000925232712 620057258 /nfs/dbraw/zinc/05/72/58/620057258.db2.gz LNSJZKIOXNMBNC-ZMSDIMECSA-N 2 0 282.472 2.758 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc(C)c21 ZINC000925239556 620061809 /nfs/dbraw/zinc/06/18/09/620061809.db2.gz GBWGDEAIOLWTFO-IRXDYDNUSA-N 2 0 290.451 2.929 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)C(C)(C)C ZINC000925242186 620063500 /nfs/dbraw/zinc/06/35/00/620063500.db2.gz XIUQVTBCHJLJJZ-LSDHHAIUSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+](C)C)c1 ZINC000925266050 620109396 /nfs/dbraw/zinc/10/93/96/620109396.db2.gz WLBOKBDVHIAKFV-SUMWQHHRSA-N 2 0 298.434 2.679 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCC(C)(C)CO2)CC1 ZINC000897476887 620182699 /nfs/dbraw/zinc/18/26/99/620182699.db2.gz YPYXCOKZYISYMP-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@](O)(CC)CCC(F)(F)F)CC1 ZINC000897524076 620204353 /nfs/dbraw/zinc/20/43/53/620204353.db2.gz QNMWSTXWAHTURC-CYBMUJFWSA-N 2 0 296.377 2.544 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308243 620241514 /nfs/dbraw/zinc/24/15/14/620241514.db2.gz PDSNJQZOKMSNFM-CVEARBPZSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C(C)(C)[C@H]2CCCCO2)CC1(C)C ZINC000865744550 620257684 /nfs/dbraw/zinc/25/76/84/620257684.db2.gz ZFIMIDTVEKVAOR-ZIAGYGMSSA-N 2 0 268.445 2.797 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc[nH+]1 ZINC000897957994 620311832 /nfs/dbraw/zinc/31/18/32/620311832.db2.gz GEJQBOXNDIWACP-KBRIMQKVSA-N 2 0 271.408 2.829 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898010994 620316882 /nfs/dbraw/zinc/31/68/82/620316882.db2.gz LMMNVWWOCIANSY-OBHHBEAMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@]1(C[NH+]2CCC([NH2+]C3CCC3)CC2)CCCS1 ZINC000897983156 620318391 /nfs/dbraw/zinc/31/83/91/620318391.db2.gz ZVDDSAXROHXCAR-OAHLLOKOSA-N 2 0 268.470 2.879 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@H]2CCC(F)(F)C2)CC1 ZINC000898016699 620323733 /nfs/dbraw/zinc/32/37/33/620323733.db2.gz AFIXBGLGIRHSRM-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP COc1ccc(CN(C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898309887 620370745 /nfs/dbraw/zinc/37/07/45/620370745.db2.gz PNXWRQJOPABNIS-UHFFFAOYSA-N 2 0 264.413 2.715 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866706021 620416247 /nfs/dbraw/zinc/41/62/47/620416247.db2.gz DZYOEKKXSJMRRC-OAHLLOKOSA-N 2 0 281.469 2.957 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000924634684 620427028 /nfs/dbraw/zinc/42/70/28/620427028.db2.gz ZXCQLWBMWSALKO-SJORKVTESA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1COC[C@@H]1C ZINC000924658244 620434800 /nfs/dbraw/zinc/43/48/00/620434800.db2.gz PBMWTLSZOWWYFC-YOEHRIQHSA-N 2 0 276.424 2.651 20 0 CFADRP C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)c1ncco1 ZINC000924684353 620440129 /nfs/dbraw/zinc/44/01/29/620440129.db2.gz FCYWOXOIKVCBPH-UONOGXRCSA-N 2 0 265.401 2.980 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000924685717 620440558 /nfs/dbraw/zinc/44/05/58/620440558.db2.gz PPRKKAVQKZEFRL-QKPAOTATSA-N 2 0 282.472 2.615 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000924688813 620441160 /nfs/dbraw/zinc/44/11/60/620441160.db2.gz VWGIONDDYPMMFV-FZKCQIBNSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000924689380 620441324 /nfs/dbraw/zinc/44/13/24/620441324.db2.gz XAWCUCDOFUMEFS-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000927030761 620442943 /nfs/dbraw/zinc/44/29/43/620442943.db2.gz KMJDGOHRGOENSP-BZPMIXESSA-N 2 0 256.459 2.590 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCS[C@@H](C)C2)CC1 ZINC000927033490 620443726 /nfs/dbraw/zinc/44/37/26/620443726.db2.gz SVIBGEFFSFLIAB-JSGCOSHPSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000924721337 620453537 /nfs/dbraw/zinc/45/35/37/620453537.db2.gz NQTPHRLLJUBFOS-QAPCUYQASA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000924721289 620453878 /nfs/dbraw/zinc/45/38/78/620453878.db2.gz MVWOJAVEZCQAAY-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924752317 620529349 /nfs/dbraw/zinc/52/93/49/620529349.db2.gz MWKPCWCYPNEVPJ-WCVJEAGWSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)cc1 ZINC000899324012 620543842 /nfs/dbraw/zinc/54/38/42/620543842.db2.gz WXIGXBLAZAKUES-APPDUMDISA-N 2 0 252.361 2.799 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)cc1F ZINC000899323893 620543989 /nfs/dbraw/zinc/54/39/89/620543989.db2.gz VTSGBMODKPUJAE-BONVTDFDSA-N 2 0 270.351 2.938 20 0 CFADRP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000899911329 620612371 /nfs/dbraw/zinc/61/23/71/620612371.db2.gz SDSHTXCGSQTASM-HNNXBMFYSA-N 2 0 294.826 2.544 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000902067181 620974042 /nfs/dbraw/zinc/97/40/42/620974042.db2.gz UPWIFORYTTUAEQ-OAHLLOKOSA-N 2 0 278.444 2.505 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320667 621023749 /nfs/dbraw/zinc/02/37/49/621023749.db2.gz QUPAFSZWHLBIOT-GJZGRUSLSA-N 2 0 292.471 2.666 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902319460 621023801 /nfs/dbraw/zinc/02/38/01/621023801.db2.gz LRXSZQUTXBTBEN-HZPDHXFCSA-N 2 0 281.488 2.619 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C1 ZINC000902321843 621028536 /nfs/dbraw/zinc/02/85/36/621028536.db2.gz XWCNSNDCEFEQDH-INIZCTEOSA-N 2 0 288.435 2.532 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344067 621033525 /nfs/dbraw/zinc/03/35/25/621033525.db2.gz AYIVVKDKDRJKPA-OAHLLOKOSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000902347007 621034290 /nfs/dbraw/zinc/03/42/90/621034290.db2.gz JRNWDFWSTPIBPF-ULQDDVLXSA-N 2 0 272.436 2.985 20 0 CFADRP [NH3+]CCCC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1F ZINC000902347749 621035037 /nfs/dbraw/zinc/03/50/37/621035037.db2.gz VBLDPPUWCBZYIC-CZUORRHYSA-N 2 0 298.377 2.904 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902322075 621035892 /nfs/dbraw/zinc/03/58/92/621035892.db2.gz YNSKRQVEADOUHW-OAGGEKHMSA-N 2 0 282.472 2.950 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326185 621036671 /nfs/dbraw/zinc/03/66/71/621036671.db2.gz BLXSAZGXBAITPL-OAHLLOKOSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902328369 621037671 /nfs/dbraw/zinc/03/76/71/621037671.db2.gz JHMYYIUBHNHFJP-BXUZGUMPSA-N 2 0 279.428 2.590 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902328376 621037832 /nfs/dbraw/zinc/03/78/32/621037832.db2.gz JHMYYIUBHNHFJP-FZMZJTMJSA-N 2 0 279.428 2.590 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329693 621038512 /nfs/dbraw/zinc/03/85/12/621038512.db2.gz SLVBJFSOAMTKGX-HOTGVXAUSA-N 2 0 281.488 2.619 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902335997 621040827 /nfs/dbraw/zinc/04/08/27/621040827.db2.gz VQDFDVNXOFMBEC-CABCVRRESA-N 2 0 270.461 2.805 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOc2ccc(F)cc2F)C1 ZINC000902337700 621042054 /nfs/dbraw/zinc/04/20/54/621042054.db2.gz RGOGQHODJVBKJA-ZDUSSCGKSA-N 2 0 298.377 2.711 20 0 CFADRP C[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000902338199 621042135 /nfs/dbraw/zinc/04/21/35/621042135.db2.gz MGMRDYYXMCEKOX-OAGGEKHMSA-N 2 0 281.488 2.617 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902338122 621042217 /nfs/dbraw/zinc/04/22/17/621042217.db2.gz LHNDDQDETPMNIJ-INIZCTEOSA-N 2 0 260.425 2.905 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000902373151 621045089 /nfs/dbraw/zinc/04/50/89/621045089.db2.gz AEWWMFKFTOAQEY-OLZOCXBDSA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000902373648 621045651 /nfs/dbraw/zinc/04/56/51/621045651.db2.gz YQABYSADYGRORL-LBPRGKRZSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H](CCN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+]1CCCCC1 ZINC000902374486 621045876 /nfs/dbraw/zinc/04/58/76/621045876.db2.gz MYIMMPMYHOKTIJ-HOTGVXAUSA-N 2 0 281.488 2.619 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902375704 621046200 /nfs/dbraw/zinc/04/62/00/621046200.db2.gz XUIRBEMJWKVZTP-YPMHNXCESA-N 2 0 281.469 2.923 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902375696 621046561 /nfs/dbraw/zinc/04/65/61/621046561.db2.gz XUIRBEMJWKVZTP-AAEUAGOBSA-N 2 0 281.469 2.923 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nccs1 ZINC000902375454 621046661 /nfs/dbraw/zinc/04/66/61/621046661.db2.gz VVKISBMNXXULRQ-RYUDHWBXSA-N 2 0 267.442 2.614 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000902353248 621049370 /nfs/dbraw/zinc/04/93/70/621049370.db2.gz XWUOWVOCSLCOFH-HNNXBMFYSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)C1 ZINC000902361664 621053237 /nfs/dbraw/zinc/05/32/37/621053237.db2.gz OJWPXGWSPYSPMA-LBPRGKRZSA-N 2 0 298.377 2.711 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362887 621053911 /nfs/dbraw/zinc/05/39/11/621053911.db2.gz SVASNEORBRGFPG-PVAVHDDUSA-N 2 0 290.451 2.519 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2([C@H]3CCCCO3)CCC2)C1 ZINC000902405895 621055131 /nfs/dbraw/zinc/05/51/31/621055131.db2.gz LIXRBVYPCOAAGM-HUUCEWRRSA-N 2 0 280.456 2.846 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902385582 621060275 /nfs/dbraw/zinc/06/02/75/621060275.db2.gz WBOTZWFZBBUDPX-IAGOWNOFSA-N 2 0 290.451 2.650 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386425 621060802 /nfs/dbraw/zinc/06/08/02/621060802.db2.gz DLSXTVYMDFIDSJ-NEPJUHHUSA-N 2 0 296.377 2.712 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1(Cl)Cl ZINC000902388347 621061680 /nfs/dbraw/zinc/06/16/80/621061680.db2.gz PGAYYWPEGFTIBZ-ZYHUDNBSSA-N 2 0 279.255 2.938 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000902389486 621062030 /nfs/dbraw/zinc/06/20/30/621062030.db2.gz USMUWLKIWJCJEO-CVEARBPZSA-N 2 0 288.435 2.666 20 0 CFADRP [NH3+]CCCC[C@H](NCC1([NH3+])CCC1)c1ccc(F)cc1F ZINC000902391965 621062807 /nfs/dbraw/zinc/06/28/07/621062807.db2.gz CWDLBBUELQYJRO-HNNXBMFYSA-N 3 0 297.393 2.606 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391144 621062824 /nfs/dbraw/zinc/06/28/24/621062824.db2.gz CNJIVXPMFDXMQA-ZIAGYGMSSA-N 2 0 270.461 2.805 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccn1 ZINC000902393480 621063201 /nfs/dbraw/zinc/06/32/01/621063201.db2.gz SAJYPWIBLHHCBZ-KGLIPLIRSA-N 2 0 261.413 2.553 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)C1 ZINC000902394907 621063930 /nfs/dbraw/zinc/06/39/30/621063930.db2.gz XSSOPGASRJEGRX-KBPBESRZSA-N 2 0 282.497 2.888 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902394082 621064311 /nfs/dbraw/zinc/06/43/11/621064311.db2.gz VRHTWIQCBRQUSC-CYBMUJFWSA-N 2 0 270.486 2.888 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H]2CNc3ccccc32)C1 ZINC000902394849 621064290 /nfs/dbraw/zinc/06/42/90/621064290.db2.gz DYIOJOLUOHEUTB-HUUCEWRRSA-N 2 0 287.451 2.954 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC2SCCS2)C1 ZINC000902395748 621065120 /nfs/dbraw/zinc/06/51/20/621065120.db2.gz FJMJRGIQIFWZOJ-NSHDSACASA-N 2 0 274.499 2.550 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000902398455 621066055 /nfs/dbraw/zinc/06/60/55/621066055.db2.gz PRJUXWQUBFBYDK-CABCVRRESA-N 2 0 288.435 2.666 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC000902398856 621066158 /nfs/dbraw/zinc/06/61/58/621066158.db2.gz KGRHTUFJKWKEME-WDEREUQCSA-N 2 0 279.255 2.938 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)OCC ZINC000902400550 621067489 /nfs/dbraw/zinc/06/74/89/621067489.db2.gz SULWFDPJXUNUTM-UONOGXRCSA-N 2 0 256.434 2.559 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000902400374 621067568 /nfs/dbraw/zinc/06/75/68/621067568.db2.gz RAUFOXSEAZAEJT-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000902402367 621068268 /nfs/dbraw/zinc/06/82/68/621068268.db2.gz CDHSYUJSNTWBGY-ZBFHGGJFSA-N 2 0 273.424 2.901 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000902403502 621068624 /nfs/dbraw/zinc/06/86/24/621068624.db2.gz HPBGRFYSKVKQEE-VHDGCEQUSA-N 2 0 262.397 2.924 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902403271 621068966 /nfs/dbraw/zinc/06/89/66/621068966.db2.gz QSTATXCCYSMPOP-ZIAGYGMSSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428685 621076167 /nfs/dbraw/zinc/07/61/67/621076167.db2.gz GDVOKOPRQHACQU-KGLIPLIRSA-N 2 0 256.434 2.689 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])OC1 ZINC000902428967 621076222 /nfs/dbraw/zinc/07/62/22/621076222.db2.gz IQTOKTVAPOTXCY-RBSFLKMASA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000902429367 621076478 /nfs/dbraw/zinc/07/64/78/621076478.db2.gz JWXYYKAGWKTUPC-RRFJBIMHSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000902429368 621076824 /nfs/dbraw/zinc/07/68/24/621076824.db2.gz JWXYYKAGWKTUPC-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902431550 621077762 /nfs/dbraw/zinc/07/77/62/621077762.db2.gz SSCCUMWUVPMCJA-XMTFNYHQSA-N 2 0 294.483 2.686 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CCC(F)(F)CC1 ZINC000902443555 621082239 /nfs/dbraw/zinc/08/22/39/621082239.db2.gz LASXRRPODIHXJD-PWSUYJOCSA-N 2 0 260.372 2.788 20 0 CFADRP COc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CCC2 ZINC000902472874 621085563 /nfs/dbraw/zinc/08/55/63/621085563.db2.gz KCKKXVBGNGQBIH-VDNDLQMASA-N 2 0 272.392 2.555 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902476244 621087459 /nfs/dbraw/zinc/08/74/59/621087459.db2.gz NTZBOFLVDXQZIL-FLXSYLCISA-N 2 0 270.420 2.880 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902449253 621091081 /nfs/dbraw/zinc/09/10/81/621091081.db2.gz NETVAUJRRLTMRC-PVAVHDDUSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000902450346 621091499 /nfs/dbraw/zinc/09/14/99/621091499.db2.gz CYKRXQRNRSEHHV-AVGNSLFASA-N 2 0 256.459 2.781 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902453420 621093231 /nfs/dbraw/zinc/09/32/31/621093231.db2.gz CPVFFKGMQXYNNH-FRRDWIJNSA-N 2 0 260.372 2.919 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000902455775 621094230 /nfs/dbraw/zinc/09/42/30/621094230.db2.gz YYGBSQGQTWMNIB-STQMWFEESA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000902457397 621094750 /nfs/dbraw/zinc/09/47/50/621094750.db2.gz RQQPLPXXLCJQIQ-FRRDWIJNSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902458977 621095565 /nfs/dbraw/zinc/09/55/65/621095565.db2.gz AHNSZZRHSZWPRM-LJISPDSOSA-N 2 0 280.456 2.700 20 0 CFADRP C1CCC(OC2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)C1 ZINC000902466260 621099138 /nfs/dbraw/zinc/09/91/38/621099138.db2.gz LOCPZPZFVLFUIJ-ROYRJEJKSA-N 2 0 278.440 2.739 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902471256 621101783 /nfs/dbraw/zinc/10/17/83/621101783.db2.gz LITPDGPWRPYTKP-QFACEVIFSA-N 2 0 299.462 2.522 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902490000 621102112 /nfs/dbraw/zinc/10/21/12/621102112.db2.gz QRCPXFWJDQKMRX-YUSALJHKSA-N 2 0 267.442 2.963 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489977 621102318 /nfs/dbraw/zinc/10/23/18/621102318.db2.gz QLROZJZDDMMADP-DSZLRUIBSA-N 2 0 262.372 2.776 20 0 CFADRP Cc1ncccc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000902513635 621109356 /nfs/dbraw/zinc/10/93/56/621109356.db2.gz NALKEJDAHUHMRH-MSOLQXFVSA-N 2 0 287.451 2.690 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482693 621109881 /nfs/dbraw/zinc/10/98/81/621109881.db2.gz MVVDBSGTEHOLNP-WBVHZDCISA-N 2 0 275.440 2.915 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)ccc1SC ZINC000902485981 621111555 /nfs/dbraw/zinc/11/15/55/621111555.db2.gz DJZGOQUAKXKWFK-NQBHXWOUSA-N 2 0 280.437 2.805 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Br)cs1 ZINC000902486354 621111727 /nfs/dbraw/zinc/11/17/27/621111727.db2.gz QIHMLSXCROEKOM-NRPADANISA-N 2 0 289.242 2.899 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000902486644 621111988 /nfs/dbraw/zinc/11/19/88/621111988.db2.gz RFWXXZRXVHNQQT-ZCFLAXBTSA-N 2 0 266.429 2.584 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488258 621112566 /nfs/dbraw/zinc/11/25/66/621112566.db2.gz XLDAQEGVFJOAHI-ULQDDVLXSA-N 2 0 276.424 2.555 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000902487840 621112581 /nfs/dbraw/zinc/11/25/81/621112581.db2.gz UXXDCNNQOJIRRD-ZQIUZPCESA-N 2 0 296.418 2.577 20 0 CFADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000902487462 621112686 /nfs/dbraw/zinc/11/26/86/621112686.db2.gz GXFDZWYDLCMQPD-GLXFQSAKSA-N 2 0 254.324 2.743 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000902487300 621112728 /nfs/dbraw/zinc/11/27/28/621112728.db2.gz SOTOKDHYJNXGQK-WCXIOVBPSA-N 2 0 258.409 2.725 20 0 CFADRP c1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)ccn1 ZINC000902513941 621115058 /nfs/dbraw/zinc/11/50/58/621115058.db2.gz JDHLRJSUUBDAPK-MWDXBVQZSA-N 2 0 271.408 2.510 20 0 CFADRP CCNc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000902594012 621126520 /nfs/dbraw/zinc/12/65/20/621126520.db2.gz ACVYYVZEWGJSNQ-HNNXBMFYSA-N 2 0 275.440 2.940 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000902597893 621132217 /nfs/dbraw/zinc/13/22/17/621132217.db2.gz ZMGLYWQQSCEGOM-OAHLLOKOSA-N 2 0 275.440 2.858 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902720667 621156622 /nfs/dbraw/zinc/15/66/22/621156622.db2.gz LXTFWNKOVNTHCQ-OIGKAMSRSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1COc2ccccc2C1 ZINC000902721472 621157119 /nfs/dbraw/zinc/15/71/19/621157119.db2.gz YAQRMAIEPXXZLA-GOEBONIOSA-N 2 0 290.451 2.804 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902753015 621165271 /nfs/dbraw/zinc/16/52/71/621165271.db2.gz NTGIAVGRJPJPRN-HZPDHXFCSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902780681 621172121 /nfs/dbraw/zinc/17/21/21/621172121.db2.gz NWFQLWVBUAWPET-IIAWOOMASA-N 2 0 276.424 2.556 20 0 CFADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cn(C)nn1 ZINC000902793969 621178283 /nfs/dbraw/zinc/17/82/83/621178283.db2.gz PJLWYNNILSAQMZ-OAHLLOKOSA-N 2 0 293.459 2.512 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902830830 621185821 /nfs/dbraw/zinc/18/58/21/621185821.db2.gz RJZVIVKSARHUSN-QXDIGNSFSA-N 2 0 294.483 2.898 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902950753 621212435 /nfs/dbraw/zinc/21/24/35/621212435.db2.gz IMXXAFNKSWBYOP-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000903018220 621222257 /nfs/dbraw/zinc/22/22/57/621222257.db2.gz ZCRHDEFREMNRQD-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1 ZINC000902999459 621225129 /nfs/dbraw/zinc/22/51/29/621225129.db2.gz OWZJEZKJUKCBBS-GXTWGEPZSA-N 2 0 292.423 2.630 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000903043251 621232945 /nfs/dbraw/zinc/23/29/45/621232945.db2.gz SSDGJJHRAIOXMM-HYVNUMGLSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903057428 621235839 /nfs/dbraw/zinc/23/58/39/621235839.db2.gz HPAWTRSWTOVUOO-ZNXRZULTSA-N 2 0 293.499 2.853 20 0 CFADRP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000903083312 621246420 /nfs/dbraw/zinc/24/64/20/621246420.db2.gz DSFAJFLWQWSJLW-KBPBESRZSA-N 2 0 292.423 2.741 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C)CN1CC[NH+](C)CC1 ZINC000903090836 621249015 /nfs/dbraw/zinc/24/90/15/621249015.db2.gz IBWGULWFENEKAX-DUQPFJRNSA-N 2 0 295.515 2.530 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903070852 621250289 /nfs/dbraw/zinc/25/02/89/621250289.db2.gz YFSHSRZYBOUMHQ-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903107270 621256110 /nfs/dbraw/zinc/25/61/10/621256110.db2.gz PMDOHFQWRDFXAK-RBSFLKMASA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000903124635 621261871 /nfs/dbraw/zinc/26/18/71/621261871.db2.gz HUFCBGLUIUHDIR-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP CCOCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903126950 621262181 /nfs/dbraw/zinc/26/21/81/621262181.db2.gz FZOVKKWFJIQXAJ-ZXFUBFMLSA-N 2 0 292.467 2.941 20 0 CFADRP CCOC(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OCC ZINC000903158575 621270408 /nfs/dbraw/zinc/27/04/08/621270408.db2.gz UOHIXXOVHGRGEK-VHRNVKJDSA-N 2 0 296.455 2.523 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@@H](C)C1 ZINC000903161192 621271359 /nfs/dbraw/zinc/27/13/59/621271359.db2.gz CZJKJHMPNNAHAB-IXIBIKRGSA-N 2 0 282.497 2.981 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903177398 621275690 /nfs/dbraw/zinc/27/56/90/621275690.db2.gz MHXURRALEYNFEW-AIDGVLJZSA-N 2 0 280.456 2.795 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(F)cc1F ZINC000841075665 621276391 /nfs/dbraw/zinc/27/63/91/621276391.db2.gz LOOWTOMVRNAFCP-FFMGESDNSA-N 2 0 280.362 2.613 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903185193 621278712 /nfs/dbraw/zinc/27/87/12/621278712.db2.gz IJAOYLCTWQCQRT-YOEHRIQHSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCOC12CCCCC2)C1CC[NH+](C)CC1 ZINC000903275148 621310460 /nfs/dbraw/zinc/31/04/60/621310460.db2.gz WZLNNQBSHRECON-GDBMZVCRSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1[C@@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC[N@@H+]1C ZINC000903299573 621314432 /nfs/dbraw/zinc/31/44/32/621314432.db2.gz BIZJFMLKRXJSTK-LMSBXDPUSA-N 2 0 293.499 2.712 20 0 CFADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC000903353734 621345043 /nfs/dbraw/zinc/34/50/43/621345043.db2.gz NPRNYTZLORAEJP-AVOUXACISA-N 2 0 296.455 2.569 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000903353974 621345951 /nfs/dbraw/zinc/34/59/51/621345951.db2.gz QBXDFNUMVBPVLR-RRFJBIMHSA-N 2 0 298.471 2.674 20 0 CFADRP C[C@](C[NH3+])([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C1CC1 ZINC000903426843 621370189 /nfs/dbraw/zinc/37/01/89/621370189.db2.gz PNRBHUQKZBNCEQ-RBSFLKMASA-N 2 0 280.362 2.752 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)C1CC[NH+](C)CC1 ZINC000903428795 621371532 /nfs/dbraw/zinc/37/15/32/621371532.db2.gz QOAQRPWZAYSXKY-CXAGYDPISA-N 2 0 273.424 2.853 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCc2ccc(F)cc2)C2CC2)C1 ZINC000903437562 621374829 /nfs/dbraw/zinc/37/48/29/621374829.db2.gz JSLYGLOTRNFILV-GOEBONIOSA-N 2 0 276.399 2.960 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC3(CC2)OCc2ccccc23)C1 ZINC000903440484 621377412 /nfs/dbraw/zinc/37/74/12/621377412.db2.gz ZTPZMZPDARMDCD-GOEBONIOSA-N 2 0 286.419 2.635 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903421699 621378572 /nfs/dbraw/zinc/37/85/72/621378572.db2.gz RVUXBVCTUYJAPJ-HUUCEWRRSA-N 2 0 280.362 2.706 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000903458556 621379572 /nfs/dbraw/zinc/37/95/72/621379572.db2.gz DDWBNGPESZCCKQ-FZCLSBEQSA-N 2 0 288.435 2.599 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903424675 621379617 /nfs/dbraw/zinc/37/96/17/621379617.db2.gz BCBCUDLDTUSJRI-DOMZBBRYSA-N 2 0 257.381 2.727 20 0 CFADRP C[C@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C[NH3+] ZINC000903458692 621380401 /nfs/dbraw/zinc/38/04/01/621380401.db2.gz HFRIPNHIIZETAS-LCGIIJARSA-N 2 0 294.389 2.952 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1C[NH3+] ZINC000903459289 621380417 /nfs/dbraw/zinc/38/04/17/621380417.db2.gz GAYSMDAGRPBGDN-WWGRRREGSA-N 2 0 271.408 2.973 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C[NH3+] ZINC000903458691 621380554 /nfs/dbraw/zinc/38/05/54/621380554.db2.gz HFRIPNHIIZETAS-DTZQCDIJSA-N 2 0 294.389 2.952 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2(c3cccc(F)c3)CCC2)C1 ZINC000903460678 621381324 /nfs/dbraw/zinc/38/13/24/621381324.db2.gz HUQQAHKTEOHFNJ-SWLSCSKDSA-N 2 0 262.372 2.922 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)c1 ZINC000903464055 621381725 /nfs/dbraw/zinc/38/17/25/621381725.db2.gz XZLMAACDNWZEOU-VKJFTORMSA-N 2 0 288.435 2.514 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461841 621381811 /nfs/dbraw/zinc/38/18/11/621381811.db2.gz YUYANJCTWPBFOX-BFHYXJOUSA-N 2 0 290.398 2.640 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442725 621382841 /nfs/dbraw/zinc/38/28/41/621382841.db2.gz ZWLVECOVDKKRMZ-MHORFTMASA-N 3 0 293.499 2.700 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000903446678 621384595 /nfs/dbraw/zinc/38/45/95/621384595.db2.gz ZUPYYRCEYVWXBL-QLFBSQMISA-N 2 0 261.413 2.804 20 0 CFADRP FC1(F)CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903470791 621389023 /nfs/dbraw/zinc/38/90/23/621389023.db2.gz CYISYBKPFTZLEF-RYUDHWBXSA-N 2 0 258.356 2.686 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470411 621389142 /nfs/dbraw/zinc/38/91/42/621389142.db2.gz BDXRMAXDUQOMBO-NEPJUHHUSA-N 2 0 258.356 2.686 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)C1 ZINC000903476123 621390695 /nfs/dbraw/zinc/39/06/95/621390695.db2.gz OCGCGOBHNGCOIK-SQWLQELKSA-N 2 0 266.429 2.537 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C(C)(C)O1 ZINC000903481672 621391923 /nfs/dbraw/zinc/39/19/23/621391923.db2.gz JJXKWIJFTJQUSV-ZIAGYGMSSA-N 2 0 280.456 2.844 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481749 621391939 /nfs/dbraw/zinc/39/19/39/621391939.db2.gz LQPNGTDXDWZNAY-AEFFLSMTSA-N 2 0 290.451 2.607 20 0 CFADRP CC1(C)C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C(C)(C)O1 ZINC000903481671 621392054 /nfs/dbraw/zinc/39/20/54/621392054.db2.gz JJXKWIJFTJQUSV-UONOGXRCSA-N 2 0 280.456 2.844 20 0 CFADRP FC1(F)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482111 621392300 /nfs/dbraw/zinc/39/23/00/621392300.db2.gz XPDRPGUSMABEHK-VXGBXAGGSA-N 2 0 258.356 2.686 20 0 CFADRP FC1(F)CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482108 621392336 /nfs/dbraw/zinc/39/23/36/621392336.db2.gz XPDRPGUSMABEHK-NEPJUHHUSA-N 2 0 258.356 2.686 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000903482025 621392596 /nfs/dbraw/zinc/39/25/96/621392596.db2.gz UTPUGWUTLMINME-VOAKCMCISA-N 2 0 276.346 2.506 20 0 CFADRP ClC1(Cl)C[C@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483988 621393068 /nfs/dbraw/zinc/39/30/68/621393068.db2.gz NKBOPJKCEPIXEL-GHMZBOCLSA-N 2 0 277.239 2.835 20 0 CFADRP C[C@@H]1CN(Cc2noc(C3CCCCC3)n2)C[C@H]1CC[NH3+] ZINC000903498805 621393892 /nfs/dbraw/zinc/39/38/92/621393892.db2.gz FDCRPOGZBGSHJN-TZMCWYRMSA-N 2 0 292.427 2.534 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1CC[NH3+] ZINC000903499646 621394192 /nfs/dbraw/zinc/39/41/92/621394192.db2.gz XOFGDGXCWQWSRA-UPJWGTAASA-N 2 0 260.372 2.729 20 0 CFADRP C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903566677 621396449 /nfs/dbraw/zinc/39/64/49/621396449.db2.gz XTZAXPBQCHNTKE-INMHGKMJSA-N 2 0 258.409 2.864 20 0 CFADRP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000903566081 621396499 /nfs/dbraw/zinc/39/64/99/621396499.db2.gz ZLVMQIFHVMIYIC-DZGCQCFKSA-N 2 0 272.392 2.632 20 0 CFADRP CC(C)C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccn1 ZINC000903575382 621398575 /nfs/dbraw/zinc/39/85/75/621398575.db2.gz MDQJCAIQASMPGI-UHFFFAOYSA-N 2 0 275.440 2.929 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC000903707819 621423727 /nfs/dbraw/zinc/42/37/27/621423727.db2.gz HQHZCGZPZKDUGN-GOOCMWNKSA-N 2 0 254.393 2.589 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718655 621425572 /nfs/dbraw/zinc/42/55/72/621425572.db2.gz QIYYWCNCMOHYJG-COXVUDFISA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]2CCCC[C@H]12 ZINC000903721999 621426400 /nfs/dbraw/zinc/42/64/00/621426400.db2.gz GXGHIBQERNKYEQ-ILOCAZANSA-N 2 0 292.467 2.656 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cs1 ZINC000903723292 621426802 /nfs/dbraw/zinc/42/68/02/621426802.db2.gz HHBJSCAWWZQEEC-JYJNAYRXSA-N 2 0 292.448 2.654 20 0 CFADRP Cc1cc([C@@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)no1 ZINC000903723552 621426855 /nfs/dbraw/zinc/42/68/55/621426855.db2.gz IKLWBBPZAOLSBZ-HIFRSBDPSA-N 2 0 263.385 2.510 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722269 621426956 /nfs/dbraw/zinc/42/69/56/621426956.db2.gz JXBNASZPVABBFC-GOSISDBHSA-N 2 0 290.451 2.567 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000903723007 621426984 /nfs/dbraw/zinc/42/69/84/621426984.db2.gz RWVKEXYCTFVKGX-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP CCC(CC)C[N@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724356 621427594 /nfs/dbraw/zinc/42/75/94/621427594.db2.gz MXVHGIKPGBLLLS-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)C(C)C ZINC000903726941 621428186 /nfs/dbraw/zinc/42/81/86/621428186.db2.gz PERJUEZKKUAZLO-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)ccc2O1 ZINC000841077631 621428417 /nfs/dbraw/zinc/42/84/17/621428417.db2.gz AJDIKXFHHFJHHD-MRXNPFEDSA-N 2 0 286.419 2.632 20 0 CFADRP C(C1CC1)[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903725763 621428421 /nfs/dbraw/zinc/42/84/21/621428421.db2.gz GWTABGBHJJATBQ-ROUUACIJSA-N 2 0 292.467 2.800 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000903728614 621428814 /nfs/dbraw/zinc/42/88/14/621428814.db2.gz CNZJYBNAQOEXLG-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[N@H+](C[C@H]1CCCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000903728615 621429042 /nfs/dbraw/zinc/42/90/42/621429042.db2.gz CNZJYBNAQOEXLG-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732601 621430089 /nfs/dbraw/zinc/43/00/89/621430089.db2.gz GSLLEOGZWBGNNG-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903746123 621431735 /nfs/dbraw/zinc/43/17/35/621431735.db2.gz FRFLWZHJAUKWDI-YNEHKIRRSA-N 2 0 294.361 2.547 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903749198 621432522 /nfs/dbraw/zinc/43/25/22/621432522.db2.gz IBYURBLEVCHQJI-IAGOWNOFSA-N 2 0 287.451 2.910 20 0 CFADRP FCc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903751725 621433415 /nfs/dbraw/zinc/43/34/15/621433415.db2.gz MFLBBBKVTURZKY-INIZCTEOSA-N 2 0 262.372 2.732 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1C ZINC000903760773 621436036 /nfs/dbraw/zinc/43/60/36/621436036.db2.gz YKLQQRFVBPQAOP-LZLYRXPVSA-N 2 0 288.435 2.723 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000903763730 621436816 /nfs/dbraw/zinc/43/68/16/621436816.db2.gz LPVDPNFHXSJGON-OAHLLOKOSA-N 2 0 280.456 2.515 20 0 CFADRP C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903765476 621437018 /nfs/dbraw/zinc/43/70/18/621437018.db2.gz IEPKMRFWUCBQPR-OKZBNKHCSA-N 2 0 292.467 2.800 20 0 CFADRP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767634 621437281 /nfs/dbraw/zinc/43/72/81/621437281.db2.gz YJFRVAQUXIVVDF-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)O1 ZINC000903792539 621439024 /nfs/dbraw/zinc/43/90/24/621439024.db2.gz DHTRABZAJVFRDV-NVXWUHKLSA-N 2 0 288.435 2.546 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cn1 ZINC000903792510 621439197 /nfs/dbraw/zinc/43/91/97/621439197.db2.gz CMTLYVHYBHIMCM-UHFFFAOYSA-N 2 0 295.430 2.883 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000903790736 621439237 /nfs/dbraw/zinc/43/92/37/621439237.db2.gz YCDZIHDJIULBJE-UHFFFAOYSA-N 3 0 269.477 2.593 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000903784387 621441585 /nfs/dbraw/zinc/44/15/85/621441585.db2.gz NCUSMMBBPPMLFS-FUHWJXTLSA-N 2 0 294.483 2.905 20 0 CFADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903786634 621442452 /nfs/dbraw/zinc/44/24/52/621442452.db2.gz NFGFXESPFYGTTN-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)ccn1 ZINC000903811793 621447127 /nfs/dbraw/zinc/44/71/27/621447127.db2.gz NNVPUAHATFVFMZ-MRXNPFEDSA-N 2 0 273.424 2.874 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H]2CC[C@H](C3CC3)O2)CCC1 ZINC000903812994 621447536 /nfs/dbraw/zinc/44/75/36/621447536.db2.gz WWIYGOGXKSMAFI-ZACQAIPSSA-N 2 0 292.467 2.928 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC000903811858 621447645 /nfs/dbraw/zinc/44/76/45/621447645.db2.gz OTFRCZVKXNKHDZ-CABCVRRESA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+]CCCN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000903831071 621451498 /nfs/dbraw/zinc/45/14/98/621451498.db2.gz CRTNDTWUXJJEHK-UHFFFAOYSA-N 2 0 280.799 2.584 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCN1c1ccccc1 ZINC000903830912 621451534 /nfs/dbraw/zinc/45/15/34/621451534.db2.gz BCEMSSNDBHXTPY-IAGOWNOFSA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2Cc3cccc(Cl)c3C2)C1 ZINC000903829120 621451626 /nfs/dbraw/zinc/45/16/26/621451626.db2.gz AGYOPZXFZJDWML-CMPLNLGQSA-N 2 0 250.773 2.783 20 0 CFADRP C[C@H]1CSCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903829812 621451705 /nfs/dbraw/zinc/45/17/05/621451705.db2.gz LJALLEMOHSOVLP-ZDUSSCGKSA-N 2 0 276.449 2.660 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000903829933 621451779 /nfs/dbraw/zinc/45/17/79/621451779.db2.gz OGYKRRIQZFZZTC-UKRRQHHQSA-N 2 0 261.413 2.676 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000903842923 621454384 /nfs/dbraw/zinc/45/43/84/621454384.db2.gz XQZKDWTUSXSPKC-SVGFKBNWSA-N 2 0 270.420 2.918 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C(F)F)cc1)C2 ZINC000903843206 621454489 /nfs/dbraw/zinc/45/44/89/621454489.db2.gz FHGDZSFWHDSBTN-UBHSHLNASA-N 2 0 266.335 2.936 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOc1ccc(Cl)cc1)C2 ZINC000903847024 621455367 /nfs/dbraw/zinc/45/53/67/621455367.db2.gz HWBUWGYFFBEIQV-QEJZJMRPSA-N 2 0 294.826 2.921 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000903864128 621459546 /nfs/dbraw/zinc/45/95/46/621459546.db2.gz RZSUGKDSSOBRHS-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CCN1CCC[C@@]12CC[NH2+]C2 ZINC000903869895 621461081 /nfs/dbraw/zinc/46/10/81/621461081.db2.gz KIDLWHJRAJRTSQ-AEFFLSMTSA-N 2 0 270.420 2.934 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892044 621462125 /nfs/dbraw/zinc/46/21/25/621462125.db2.gz GAFHAGYUQFXFBS-WYQXTGKHSA-N 2 0 274.408 2.916 20 0 CFADRP c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903872869 621462411 /nfs/dbraw/zinc/46/24/11/621462411.db2.gz KPTDXNSNMBRFFD-SFHVURJKSA-N 2 0 281.403 2.998 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903877085 621462829 /nfs/dbraw/zinc/46/28/29/621462829.db2.gz LDTDWJHQTMJDTP-ALOPSCKCSA-N 2 0 288.435 2.836 20 0 CFADRP c1ccc([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000903883990 621463881 /nfs/dbraw/zinc/46/38/81/621463881.db2.gz OAKHCYMAYFILGT-UCMJJCQDSA-N 2 0 271.408 2.749 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903886885 621464711 /nfs/dbraw/zinc/46/47/11/621464711.db2.gz VLRGUKLYUZCZTG-FUCXHRTASA-N 2 0 286.419 2.584 20 0 CFADRP Cc1cc(C)cc(CN(C)C[C@@H]([NH3+])CC(F)F)c1 ZINC000903915461 621467636 /nfs/dbraw/zinc/46/76/36/621467636.db2.gz YYPYAZVZWBKTBV-ZDUSSCGKSA-N 2 0 256.340 2.718 20 0 CFADRP CCC[C@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908704 621470823 /nfs/dbraw/zinc/47/08/23/621470823.db2.gz OKQPQPHLAAHNIX-WBVHZDCISA-N 2 0 292.471 2.501 20 0 CFADRP c1ccc([C@@H]2COCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903910987 621471372 /nfs/dbraw/zinc/47/13/72/621471372.db2.gz UIJJXZILFWNMPN-ONQFOCNCSA-N 2 0 286.419 2.591 20 0 CFADRP CCC1CCC([N@H+](CCO)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903912251 621471399 /nfs/dbraw/zinc/47/13/99/621471399.db2.gz CDJIDNBHIWJVNZ-DDEIOVDASA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1sccc1Cl ZINC000903978903 621494287 /nfs/dbraw/zinc/49/42/87/621494287.db2.gz OQXZSJLVKOSXKL-NXEZZACHSA-N 2 0 258.818 2.737 20 0 CFADRP Clc1ccccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922827 621473929 /nfs/dbraw/zinc/47/39/29/621473929.db2.gz FPWCITBXYYJSRQ-QXMXGUDHSA-N 2 0 264.800 2.960 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903925976 621474876 /nfs/dbraw/zinc/47/48/76/621474876.db2.gz QINJIUYDPPUGBM-LBPRGKRZSA-N 2 0 268.351 2.599 20 0 CFADRP c1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000903929607 621475787 /nfs/dbraw/zinc/47/57/87/621475787.db2.gz HMTRDJGRQYJEQB-DQYPLSBCSA-N 2 0 256.393 2.611 20 0 CFADRP C[C@@]1([NH2+]Cc2cccc3c2CC[NH2+]C3)CC=CCC1 ZINC000903929584 621475844 /nfs/dbraw/zinc/47/58/44/621475844.db2.gz GYKZFKQMVGUTTM-QGZVFWFLSA-N 2 0 256.393 2.921 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930296 621476047 /nfs/dbraw/zinc/47/60/47/621476047.db2.gz WPRQKIYKCTZHNP-MIGBEJBISA-N 2 0 287.451 2.913 20 0 CFADRP [NH3+][C@@H](CC(F)F)CN1CCC2(CCSCC2)CC1 ZINC000903933905 621477443 /nfs/dbraw/zinc/47/74/43/621477443.db2.gz APHKAZODPWGEHU-NSHDSACASA-N 2 0 278.412 2.578 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000903937335 621477841 /nfs/dbraw/zinc/47/78/41/621477841.db2.gz IJTUIFVVEBFPHJ-MMNRESRNSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)([NH3+])CC[NH2+]CCSCc1ccccc1 ZINC000903939771 621481767 /nfs/dbraw/zinc/48/17/67/621481767.db2.gz MDIAAFBYXLGLTC-UHFFFAOYSA-N 2 0 252.427 2.637 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000903946039 621483797 /nfs/dbraw/zinc/48/37/97/621483797.db2.gz GNFGZUYZYHDTOY-UHFFFAOYSA-N 2 0 298.434 2.790 20 0 CFADRP CCC1([NH3+])CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000903946569 621484674 /nfs/dbraw/zinc/48/46/74/621484674.db2.gz VRIJNOGRZDJJDQ-UHFFFAOYSA-N 2 0 288.435 2.757 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000903948407 621485739 /nfs/dbraw/zinc/48/57/39/621485739.db2.gz PUSZUYMVZOEDIG-IAGOWNOFSA-N 3 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)CC[NH2+]1 ZINC000903948342 621485895 /nfs/dbraw/zinc/48/58/95/621485895.db2.gz OAGLZQUCEUYIIF-OMNBBPDLSA-N 2 0 276.399 2.990 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000903948406 621485897 /nfs/dbraw/zinc/48/58/97/621485897.db2.gz PUSZUYMVZOEDIG-DLBZAZTESA-N 3 0 281.488 2.572 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC000903949139 621486205 /nfs/dbraw/zinc/48/62/05/621486205.db2.gz YSPVXXINIAFJPK-OAHLLOKOSA-N 2 0 288.435 2.756 20 0 CFADRP CCC1([NH3+])CCN([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000903948790 621486324 /nfs/dbraw/zinc/48/63/24/621486324.db2.gz UQTBCBTWNQVAOS-DLBZAZTESA-N 2 0 287.451 2.683 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956012 621490159 /nfs/dbraw/zinc/49/01/59/621490159.db2.gz FIEXUKCWKPWVKA-AAEUAGOBSA-N 2 0 286.341 2.591 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000903955698 621490456 /nfs/dbraw/zinc/49/04/56/621490456.db2.gz AKYMCAXJVOJANI-UKRRQHHQSA-N 2 0 282.378 2.700 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956014 621490485 /nfs/dbraw/zinc/49/04/85/621490485.db2.gz FIEXUKCWKPWVKA-WCQYABFASA-N 2 0 286.341 2.591 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955720 621490572 /nfs/dbraw/zinc/49/05/72/621490572.db2.gz ASJLLEVAQIPZCF-AAEUAGOBSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956217 621490864 /nfs/dbraw/zinc/49/08/64/621490864.db2.gz IZORGRVEDLOGOA-ZFWWWQNUSA-N 2 0 282.378 2.760 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956214 621490976 /nfs/dbraw/zinc/49/09/76/621490976.db2.gz IZORGRVEDLOGOA-DZGCQCFKSA-N 2 0 282.378 2.760 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000903956243 621491073 /nfs/dbraw/zinc/49/10/73/621491073.db2.gz JTKMQMQQWCIXPF-MCIONIFRSA-N 2 0 272.383 2.790 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903973385 621492163 /nfs/dbraw/zinc/49/21/63/621492163.db2.gz BKNOAILJLSOPDS-GDBMZVCRSA-N 2 0 276.424 2.809 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973839 621492275 /nfs/dbraw/zinc/49/22/75/621492275.db2.gz GOXQWVFGNLQPCI-WQELODFKSA-N 2 0 274.408 2.544 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2cnccc21 ZINC000903974169 621492416 /nfs/dbraw/zinc/49/24/16/621492416.db2.gz KSSKQPRCMUQURA-ZIAGYGMSSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000903973415 621492471 /nfs/dbraw/zinc/49/24/71/621492471.db2.gz CTYOYPMDJUFWPE-BVUBDWEXSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc2ccccc2c1 ZINC000903974863 621493077 /nfs/dbraw/zinc/49/30/77/621493077.db2.gz UOBGHZOKRNSRGD-CZUORRHYSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000903974757 621493176 /nfs/dbraw/zinc/49/31/76/621493176.db2.gz RODIUCJXLZCTBY-BFYDXBDKSA-N 2 0 260.425 2.700 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977345 621493576 /nfs/dbraw/zinc/49/35/76/621493576.db2.gz PIDWWOMXIOZEMF-QAOXIVLQSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000903978861 621493987 /nfs/dbraw/zinc/49/39/87/621493987.db2.gz NJHZCTIUXUNROM-ZYHUDNBSSA-N 2 0 270.779 2.814 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977736 621494331 /nfs/dbraw/zinc/49/43/31/621494331.db2.gz XZUAEJCSLKHGPV-IUODEOHRSA-N 2 0 292.471 2.672 20 0 CFADRP c1ccc([C@@]23C[C@@H]2C[N@@H+](CC2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000903978486 621494376 /nfs/dbraw/zinc/49/43/76/621494376.db2.gz HAGPKMAWXWZPEA-UMAJGDAASA-N 2 0 282.431 2.791 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000903964249 621495748 /nfs/dbraw/zinc/49/57/48/621495748.db2.gz GICZHIFEBYVWFR-KDOFPFPSSA-N 2 0 281.403 2.694 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000903964864 621495892 /nfs/dbraw/zinc/49/58/92/621495892.db2.gz SUMHYQYJSQTVRN-PWSUYJOCSA-N 2 0 288.313 2.530 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000903967350 621496195 /nfs/dbraw/zinc/49/61/95/621496195.db2.gz HXSIGEJGQKQGEL-QKEWWQLBSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000903967738 621496272 /nfs/dbraw/zinc/49/62/72/621496272.db2.gz MPKNMVFDDLMNNI-NOOOWODRSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000903968049 621496443 /nfs/dbraw/zinc/49/64/43/621496443.db2.gz QHBALGDCEAQXBW-YRGRVCCFSA-N 2 0 266.816 2.889 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)[C@@H]1CCCO1 ZINC000904362579 621583443 /nfs/dbraw/zinc/58/34/43/621583443.db2.gz OLWRTIUHDXGLJE-IHRRRGAJSA-N 2 0 256.434 2.687 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904299654 621568434 /nfs/dbraw/zinc/56/84/34/621568434.db2.gz KUKJFLWUBFRORS-UHFFFAOYSA-N 2 0 272.314 2.934 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1[NH3+] ZINC000904301054 621568933 /nfs/dbraw/zinc/56/89/33/621568933.db2.gz FKGIKIXQXXSIGW-HOCLYGCPSA-N 2 0 274.408 2.571 20 0 CFADRP C[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000904307016 621569674 /nfs/dbraw/zinc/56/96/74/621569674.db2.gz ICWWYULXPCFIOZ-DLBZAZTESA-N 2 0 258.409 2.995 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccccn2)CCC[NH2+]C1 ZINC000904308767 621570395 /nfs/dbraw/zinc/57/03/95/621570395.db2.gz WNVHNRJFAIUMDA-HOTGVXAUSA-N 2 0 259.397 2.608 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311509 621570766 /nfs/dbraw/zinc/57/07/66/621570766.db2.gz DQNCVZSIEFXUQF-INIZCTEOSA-N 2 0 264.388 2.690 20 0 CFADRP CC[C@H]1c2ccsc2CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312193 621571016 /nfs/dbraw/zinc/57/10/16/621571016.db2.gz OHTOVDYBFBBEBP-LOWVWBTDSA-N 2 0 250.411 2.795 20 0 CFADRP Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312672 621571157 /nfs/dbraw/zinc/57/11/57/621571157.db2.gz MXGKCIROORYBOJ-JKIFEVAISA-N 2 0 298.434 2.838 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000904314177 621571816 /nfs/dbraw/zinc/57/18/16/621571816.db2.gz SOEHDWJARYAXHR-BJHJDKERSA-N 2 0 296.361 2.545 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904317604 621573025 /nfs/dbraw/zinc/57/30/25/621573025.db2.gz IIGWIADWUNMAEH-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904321905 621574112 /nfs/dbraw/zinc/57/41/12/621574112.db2.gz JVXKFYVSEGJTPJ-VNQPRFMTSA-N 2 0 276.449 2.822 20 0 CFADRP CCC[N@H+](CCc1cccc(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322321 621574361 /nfs/dbraw/zinc/57/43/61/621574361.db2.gz WRAZOWXQPVRWMF-FZNQNYSPSA-N 2 0 264.388 2.818 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3cccc(Br)c3C2)C1 ZINC000904321701 621574420 /nfs/dbraw/zinc/57/44/20/621574420.db2.gz CLWRTARJVOLSNT-KLPPZKSPSA-N 2 0 295.224 2.545 20 0 CFADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322596 621574529 /nfs/dbraw/zinc/57/45/29/621574529.db2.gz DZQFMMVOJDKSOH-MPTQWLOMSA-N 2 0 262.372 2.946 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCCCC2 ZINC000904324069 621574652 /nfs/dbraw/zinc/57/46/52/621574652.db2.gz TZXAOEBXALHXCC-QKPAOTATSA-N 2 0 280.456 2.783 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]([NH3+])CCC(C)(C)C)[C@H](C)C1 ZINC000904323132 621574799 /nfs/dbraw/zinc/57/47/99/621574799.db2.gz NBVCMEDBQMHZOG-OAGGEKHMSA-N 2 0 283.504 2.802 20 0 CFADRP C[C@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904324120 621575540 /nfs/dbraw/zinc/57/55/40/621575540.db2.gz VNZUWZCYSLOXDF-BCUIYNNISA-N 2 0 262.372 2.946 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904326020 621576138 /nfs/dbraw/zinc/57/61/38/621576138.db2.gz BWUMRLNZGQNWJH-ZNMIVQPWSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1C ZINC000904340331 621578050 /nfs/dbraw/zinc/57/80/50/621578050.db2.gz HIVOAAREGIYFCT-SOUVJXGZSA-N 2 0 269.477 2.555 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3cc(Br)ccc3C2)C1 ZINC000904343295 621578768 /nfs/dbraw/zinc/57/87/68/621578768.db2.gz SHAGAKKICPCUPQ-WJONMLJTSA-N 2 0 295.224 2.545 20 0 CFADRP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904344942 621578975 /nfs/dbraw/zinc/57/89/75/621578975.db2.gz BMGBMUOURJEJKV-SRABZTEZSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000904346051 621579241 /nfs/dbraw/zinc/57/92/41/621579241.db2.gz PRDXWQGIZINLIK-IAGOWNOFSA-N 2 0 292.398 2.669 20 0 CFADRP CCC[N@H+](CCc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346451 621579831 /nfs/dbraw/zinc/57/98/31/621579831.db2.gz VBXDJALKVARWSK-BETUJISGSA-N 2 0 252.427 2.740 20 0 CFADRP c1cc2c(cc1C[NH+]1CCC3(CC[NH2+]C3)CC1)CCCO2 ZINC000904350636 621580366 /nfs/dbraw/zinc/58/03/66/621580366.db2.gz NXYKAQPSLCALKM-UHFFFAOYSA-N 2 0 286.419 2.587 20 0 CFADRP C[NH2+]Cc1ccccc1NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904352764 621581316 /nfs/dbraw/zinc/58/13/16/621581316.db2.gz ADRVAXOGIPTKRD-AWEZNQCLSA-N 2 0 263.429 2.972 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000904359156 621582126 /nfs/dbraw/zinc/58/21/26/621582126.db2.gz ZNJUCXMRNZPLEI-OWCLPIDISA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359953 621582316 /nfs/dbraw/zinc/58/23/16/621582316.db2.gz VGXSHIHCOYOVSE-GMXVVIOVSA-N 2 0 297.240 2.707 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1 ZINC000904358288 621583494 /nfs/dbraw/zinc/58/34/94/621583494.db2.gz JMYDHUSWSQDZHD-MRXNPFEDSA-N 2 0 284.407 2.788 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904388762 621586551 /nfs/dbraw/zinc/58/65/51/621586551.db2.gz OJRQWWZPXKSCBV-ADKAHSJRSA-N 3 0 293.499 2.763 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000904376736 621587115 /nfs/dbraw/zinc/58/71/15/621587115.db2.gz DEMRYKOEOFSDRP-GOEBONIOSA-N 2 0 275.440 2.999 20 0 CFADRP Cc1c(Cl)ccc2c1C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904383817 621588379 /nfs/dbraw/zinc/58/83/79/621588379.db2.gz FALJJUZLOIBPGF-BJHJDKERSA-N 2 0 264.800 2.744 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000904384444 621588400 /nfs/dbraw/zinc/58/84/00/621588400.db2.gz KOGSPWNBSFRRFS-KBPBESRZSA-N 2 0 269.477 2.508 20 0 CFADRP COC(=O)CC[C@@H]1CCCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904385558 621588725 /nfs/dbraw/zinc/58/87/25/621588725.db2.gz YYQICRAVRZEZSH-GJZGRUSLSA-N 2 0 298.471 2.805 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CCC[NH2+]C1 ZINC000904385758 621588809 /nfs/dbraw/zinc/58/88/09/621588809.db2.gz DMIBKNFQRLISSJ-ZWKOTPCHSA-N 2 0 294.483 2.905 20 0 CFADRP C[C@@]1(C[NH+]2CCC(Cc3nccs3)CC2)CCC[NH2+]C1 ZINC000904385188 621588823 /nfs/dbraw/zinc/58/88/23/621588823.db2.gz UWAMCJASZMHYMQ-MRXNPFEDSA-N 2 0 293.480 2.787 20 0 CFADRP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904385553 621588891 /nfs/dbraw/zinc/58/88/91/621588891.db2.gz YRYAIUZTHUFXJT-KRWDZBQOSA-N 2 0 271.408 2.989 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000904386330 621589462 /nfs/dbraw/zinc/58/94/62/621589462.db2.gz WSRCFKJBMHSJAT-DOTOQJQBSA-N 2 0 281.488 2.606 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904405965 621590424 /nfs/dbraw/zinc/59/04/24/621590424.db2.gz BLPLBGPSGBZELS-JTQLQIEISA-N 2 0 272.314 2.934 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000904409916 621590906 /nfs/dbraw/zinc/59/09/06/621590906.db2.gz KQKJLPWNTNOTPQ-OCCSQVGLSA-N 2 0 280.387 2.641 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C[NH3+] ZINC000904409910 621591344 /nfs/dbraw/zinc/59/13/44/621591344.db2.gz BAMPPHBWHUKTFM-AAEUAGOBSA-N 2 0 294.826 2.692 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904410414 621591786 /nfs/dbraw/zinc/59/17/86/621591786.db2.gz DIDYAKNPMMTSDV-HIFRSBDPSA-N 2 0 262.397 2.502 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410328 621591932 /nfs/dbraw/zinc/59/19/32/621591932.db2.gz DSJVXLOXIBYWES-SWLSCSKDSA-N 2 0 292.471 2.672 20 0 CFADRP C[C@H]1CN(Cc2cc(F)c(F)cc2F)CC[C@@H]1C[NH3+] ZINC000904410498 621591989 /nfs/dbraw/zinc/59/19/89/621591989.db2.gz GEONHQCGFVIKDK-VHSXEESVSA-N 2 0 272.314 2.521 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904410415 621592008 /nfs/dbraw/zinc/59/20/08/621592008.db2.gz DIDYAKNPMMTSDV-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000904411492 621592640 /nfs/dbraw/zinc/59/26/40/621592640.db2.gz KZWYMYKRMCFZJS-GXTWGEPZSA-N 2 0 298.377 2.747 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904412439 621593117 /nfs/dbraw/zinc/59/31/17/621593117.db2.gz SHAJDECQDMBDAU-HOCLYGCPSA-N 2 0 298.434 2.802 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904412150 621593520 /nfs/dbraw/zinc/59/35/20/621593520.db2.gz RCQSZVQNFINZFL-NEPJUHHUSA-N 2 0 267.442 2.683 20 0 CFADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000904420161 621596244 /nfs/dbraw/zinc/59/62/44/621596244.db2.gz DWNLGDZTYLDNHK-HYVNUMGLSA-N 2 0 258.409 2.722 20 0 CFADRP CC(C)[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000904419177 621596400 /nfs/dbraw/zinc/59/64/00/621596400.db2.gz PHVLEMGQSIMUGC-DJIMGWMZSA-N 2 0 260.425 2.953 20 0 CFADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccccc1 ZINC000904468691 621600604 /nfs/dbraw/zinc/60/06/04/621600604.db2.gz FEYLWRSCONPMKQ-CSNJMZFVSA-N 2 0 299.462 2.728 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000904473238 621601318 /nfs/dbraw/zinc/60/13/18/621601318.db2.gz QCJTYUCLHPYGOW-OOHRUWKFSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1cc(-c2ccc([C@H](C)N3CC[NH2+]CC3)cc2)cc(N)[nH+]1 ZINC000904846945 621657052 /nfs/dbraw/zinc/65/70/52/621657052.db2.gz ZUZKOCRZDMYKSS-AWEZNQCLSA-N 2 0 296.418 2.605 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000905134382 621707898 /nfs/dbraw/zinc/70/78/98/621707898.db2.gz UMICZQPODFOVAW-GOEBONIOSA-N 2 0 278.440 2.594 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000905209637 621724038 /nfs/dbraw/zinc/72/40/38/621724038.db2.gz RCQIBUANYBWMAU-FUHWJXTLSA-N 2 0 290.451 2.883 20 0 CFADRP CCCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000906528259 621998269 /nfs/dbraw/zinc/99/82/69/621998269.db2.gz VQTLOCZGMGGLRJ-QGZVFWFLSA-N 2 0 276.424 2.533 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(-c3cnco3)cc2)CC1 ZINC000906541607 622002405 /nfs/dbraw/zinc/00/24/05/622002405.db2.gz UVFCYKOXCKKEBW-UHFFFAOYSA-N 2 0 285.391 2.773 20 0 CFADRP [NH3+]Cc1cccc(NC(=O)[C@@H](C[NH3+])C2CCCCCC2)c1 ZINC000911648543 622533141 /nfs/dbraw/zinc/53/31/41/622533141.db2.gz LPBUTOABYALYTK-INIZCTEOSA-N 2 0 289.423 2.629 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C1(Cl)CC1 ZINC000924842705 622571402 /nfs/dbraw/zinc/57/14/02/622571402.db2.gz HTBPZAKDYKSHLD-NSHDSACASA-N 2 0 256.821 2.753 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000820811670 622763549 /nfs/dbraw/zinc/76/35/49/622763549.db2.gz UKRWYRYHDIYDNV-UONOGXRCSA-N 2 0 286.423 2.894 20 0 CFADRP C[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cccc(C[NH+](C)C)c1 ZINC000820823773 622766775 /nfs/dbraw/zinc/76/67/75/622766775.db2.gz PACXLGWIYDDIFQ-PJSUUKDQSA-N 2 0 296.480 2.556 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924851775 622791495 /nfs/dbraw/zinc/79/14/95/622791495.db2.gz GLKNGQPPZZAVNS-GJZGRUSLSA-N 3 0 277.456 2.739 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CCCCCCC1 ZINC000821362728 622904534 /nfs/dbraw/zinc/90/45/34/622904534.db2.gz OTTFKJDZSHXERY-MRXNPFEDSA-N 2 0 270.461 2.732 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000044515271 622918633 /nfs/dbraw/zinc/91/86/33/622918633.db2.gz NWLKKOKUAQXPDX-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3(C)CCCC3)CC[C@H]21 ZINC000876812552 622960401 /nfs/dbraw/zinc/96/04/01/622960401.db2.gz MPTDCWBVGQGPPY-LSDHHAIUSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@H]([NH2+]CCCCn1ccnc1)c1ccc2c(c1)CCO2 ZINC000045106325 622964863 /nfs/dbraw/zinc/96/48/63/622964863.db2.gz DGHAVQOEEQDVRQ-AWEZNQCLSA-N 2 0 285.391 2.949 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000057994546 623025549 /nfs/dbraw/zinc/02/55/49/623025549.db2.gz AFTBQBMNRNPRAG-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCC[NH+]2CCCCCC2)c2ccccc21 ZINC000157419149 623032499 /nfs/dbraw/zinc/03/24/99/623032499.db2.gz XUFFHJYVVJZHQA-SJORKVTESA-N 2 0 273.424 2.597 20 0 CFADRP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538398 623111669 /nfs/dbraw/zinc/11/16/69/623111669.db2.gz PZGSJUCOYVKGPE-IAOVAPTHSA-N 2 0 275.440 2.697 20 0 CFADRP Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822597338 623132417 /nfs/dbraw/zinc/13/24/17/623132417.db2.gz NNRKXFKPZXLACL-CYBMUJFWSA-N 2 0 298.390 2.665 20 0 CFADRP C[NH+](C)[C@H]1CCCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822966548 623211041 /nfs/dbraw/zinc/21/10/41/623211041.db2.gz IZYLZMJYKNKJON-RYUDHWBXSA-N 2 0 279.255 2.986 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230286808 623270736 /nfs/dbraw/zinc/27/07/36/623270736.db2.gz SHRJHKZNRLCXTG-SJORKVTESA-N 2 0 282.387 2.972 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc4ccccc43)C[C@@H]21 ZINC000230330873 623272634 /nfs/dbraw/zinc/27/26/34/623272634.db2.gz OOCBPFHLQINZOL-FHLIZLRMSA-N 2 0 281.403 2.794 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000062839049 623299006 /nfs/dbraw/zinc/29/90/06/623299006.db2.gz VVYJJABIECJOEF-UHFFFAOYSA-N 2 0 267.442 2.800 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000063165923 623328820 /nfs/dbraw/zinc/32/88/20/623328820.db2.gz XURDXCCLQZOLKP-UHFFFAOYSA-N 2 0 287.382 2.805 20 0 CFADRP c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197789 623332862 /nfs/dbraw/zinc/33/28/62/623332862.db2.gz HCLQQRDBCWCYDS-CQSZACIVSA-N 2 0 250.411 2.712 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCCCCCO)CC1 ZINC000173559890 623357939 /nfs/dbraw/zinc/35/79/39/623357939.db2.gz KOJZGJCWZXZIGZ-UHFFFAOYSA-N 2 0 270.461 2.593 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNCc2ccnc(Cl)c2F)C1 ZINC000823697119 623379322 /nfs/dbraw/zinc/37/93/22/623379322.db2.gz FSOMGTXSPLMMTI-LLVKDONJSA-N 2 0 285.794 2.696 20 0 CFADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000823813200 623400028 /nfs/dbraw/zinc/40/00/28/623400028.db2.gz WRNNJSJLSJUSNG-MRXNPFEDSA-N 2 0 295.515 2.959 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C[C@@H]21 ZINC000929696781 623514285 /nfs/dbraw/zinc/51/42/85/623514285.db2.gz PBXATQCMNSKBFP-ZQDZILKHSA-N 2 0 284.394 2.695 20 0 CFADRP Cc1cc(C)nc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000929782267 623671085 /nfs/dbraw/zinc/67/10/85/623671085.db2.gz LJGCBGGHNKGDGO-ZBFHGGJFSA-N 2 0 261.413 2.613 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnc(Cl)c1 ZINC000152444681 623708527 /nfs/dbraw/zinc/70/85/27/623708527.db2.gz UXXMPTJVZORKAZ-NEPJUHHUSA-N 2 0 279.815 2.870 20 0 CFADRP COc1cncc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000825916410 623768832 /nfs/dbraw/zinc/76/88/32/623768832.db2.gz NILSIKZPATYZQD-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP CCCC[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000915228645 624002102 /nfs/dbraw/zinc/00/21/02/624002102.db2.gz OYJMFWXSOHUALR-UHFFFAOYSA-N 2 0 289.467 2.584 20 0 CFADRP CC(C)[NH+](CCSC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000917389792 624338979 /nfs/dbraw/zinc/33/89/79/624338979.db2.gz RJLPGQREIVMNTJ-AWEZNQCLSA-N 2 0 258.475 2.933 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2COc3ccccc3C2)C1 ZINC000925475531 624655171 /nfs/dbraw/zinc/65/51/71/624655171.db2.gz VHTUUDJNINOOJC-NUEKZKHPSA-N 2 0 288.435 2.733 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCNc2ccccn2)C1 ZINC000925475701 624657873 /nfs/dbraw/zinc/65/78/73/624657873.db2.gz GXXGVEAUQWXTDE-LSDHHAIUSA-N 3 0 290.455 2.769 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000830206276 624670146 /nfs/dbraw/zinc/67/01/46/624670146.db2.gz JDVKYLVRDCRNAM-MRXNPFEDSA-N 2 0 290.451 2.736 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925480057 624720151 /nfs/dbraw/zinc/72/01/51/624720151.db2.gz ULXQSTYDVRZFGZ-ZIAGYGMSSA-N 2 0 294.414 2.872 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000832164856 625235549 /nfs/dbraw/zinc/23/55/49/625235549.db2.gz CFRDMWVTUOIXAH-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921540371 625981261 /nfs/dbraw/zinc/98/12/61/625981261.db2.gz GVYTWDFZCQLTOL-HUUCEWRRSA-N 2 0 291.439 2.635 20 0 CFADRP Cc1cnc(Cl)c(CNC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000921553786 625985610 /nfs/dbraw/zinc/98/56/10/625985610.db2.gz WWHHAVBQYCFFBG-CYBMUJFWSA-N 2 0 281.831 2.865 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](SC)C2)C1 ZINC000921580668 625989675 /nfs/dbraw/zinc/98/96/75/625989675.db2.gz FKVBZLAKAHZXNN-ILXRZTDVSA-N 2 0 270.486 2.982 20 0 CFADRP O=c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc[nH]1 ZINC000921623771 626001220 /nfs/dbraw/zinc/00/12/20/626001220.db2.gz VMZNEZYARCTONL-UHFFFAOYSA-N 2 0 289.423 2.531 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000085129803 626036728 /nfs/dbraw/zinc/03/67/28/626036728.db2.gz IMKUNOKLPBUVIN-WNYYMSAVSA-N 2 0 264.335 2.967 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000921978232 626189746 /nfs/dbraw/zinc/18/97/46/626189746.db2.gz AOYBQJVJLMCHMT-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922140050 626216267 /nfs/dbraw/zinc/21/62/67/626216267.db2.gz GURGZDMYANVOFW-WCXIOVBPSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnn(C2CCC2)c1)C1CC1 ZINC000922172064 626230477 /nfs/dbraw/zinc/23/04/77/626230477.db2.gz PPVOUNUSZGVTCS-UHFFFAOYSA-N 2 0 276.428 2.572 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000922181103 626232641 /nfs/dbraw/zinc/23/26/41/626232641.db2.gz MYIPLVUVGCIUSF-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2snnc2C)CC1 ZINC000929277903 626237563 /nfs/dbraw/zinc/23/75/63/626237563.db2.gz XKBPDIYSNOCTMG-CYBMUJFWSA-N 2 0 296.484 2.961 20 0 CFADRP C[C@@H](c1ccc(F)nc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282493 626244478 /nfs/dbraw/zinc/24/44/78/626244478.db2.gz KHJRVYZJUKXSLJ-LBPRGKRZSA-N 2 0 265.376 2.555 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)[NH+](C)C ZINC000922254397 626252984 /nfs/dbraw/zinc/25/29/84/626252984.db2.gz JSQHSZGIIVUUKU-DJIMGWMZSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCC(C)C)C2)[C@@H]1C(C)C ZINC000922396069 626283196 /nfs/dbraw/zinc/28/31/96/626283196.db2.gz ZWUZWNDLHFTDHF-BDXSIMOUSA-N 2 0 296.499 2.882 20 0 CFADRP CCC[C@H](O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922819431 626373211 /nfs/dbraw/zinc/37/32/11/626373211.db2.gz BVUBFUFJBHOZAN-KRWDZBQOSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CN1C1CC1 ZINC000922846619 626379573 /nfs/dbraw/zinc/37/95/73/626379573.db2.gz COPUPSLWTADECZ-JBCIKUTRSA-N 2 0 291.483 2.608 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)nc1 ZINC000922846941 626380113 /nfs/dbraw/zinc/38/01/13/626380113.db2.gz HSBKRHVCORYFKE-UHFFFAOYSA-N 2 0 273.424 2.887 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2([C@H]3CCCCO3)CC2)CC1(C)C ZINC000923027983 626443065 /nfs/dbraw/zinc/44/30/65/626443065.db2.gz LZXUYNNJHFLNTC-UONOGXRCSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298105 626464122 /nfs/dbraw/zinc/46/41/22/626464122.db2.gz LXGRIEKFWBNVBN-RDJZCZTQSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303695 626464328 /nfs/dbraw/zinc/46/43/28/626464328.db2.gz ILWHSKVYDMYDAN-IUODEOHRSA-N 2 0 294.826 2.711 20 0 CFADRP Oc1ccc2c(c1)C[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923307469 626464465 /nfs/dbraw/zinc/46/44/65/626464465.db2.gz SXJRDCXAPUAIMH-FUCXHRTASA-N 2 0 286.419 2.671 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CC1)Cc1ccc(OC)cc1 ZINC000923306129 626464742 /nfs/dbraw/zinc/46/47/42/626464742.db2.gz HIAPAHAISQZPII-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923312586 626464833 /nfs/dbraw/zinc/46/48/33/626464833.db2.gz KPKAUQVQBQRIDB-AWEZNQCLSA-N 2 0 256.459 2.736 20 0 CFADRP CCC(CC)[N@H+](CC(C)C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923314458 626465317 /nfs/dbraw/zinc/46/53/17/626465317.db2.gz HZMDZFDUNBXWCU-OAHLLOKOSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccc(C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C(C)C)s1 ZINC000923309126 626465549 /nfs/dbraw/zinc/46/55/49/626465549.db2.gz RWULDNHNBQPMGD-AWEZNQCLSA-N 2 0 294.464 2.645 20 0 CFADRP Oc1cccc(C[N@H+](CCC[NH2+]C2CC2)CC2CC2)c1 ZINC000923309558 626465812 /nfs/dbraw/zinc/46/58/12/626465812.db2.gz SCDHNUBOZIOKBQ-UHFFFAOYSA-N 2 0 274.408 2.746 20 0 CFADRP COc1cc(CN(C)CCC[NH2+]C2CC2)ccc1SC ZINC000923310435 626465896 /nfs/dbraw/zinc/46/58/96/626465896.db2.gz HFJRFQPJTZPOOC-UHFFFAOYSA-N 2 0 294.464 2.991 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923321665 626466359 /nfs/dbraw/zinc/46/63/59/626466359.db2.gz HQBFUWCMMHONCQ-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP C(C[N@@H+]1CCNCC12CCCCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923326800 626466824 /nfs/dbraw/zinc/46/68/24/626466824.db2.gz LBRZTAOEOVUJRL-ALOPSCKCSA-N 2 0 291.483 2.515 20 0 CFADRP CC[N@H+](CCc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000923334442 626467040 /nfs/dbraw/zinc/46/70/40/626467040.db2.gz DDTKYLFMTRICFR-MRXNPFEDSA-N 2 0 264.388 2.832 20 0 CFADRP C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366041 626468808 /nfs/dbraw/zinc/46/88/08/626468808.db2.gz YURPSNMSDQANBQ-KKGYMGPXSA-N 2 0 291.483 2.514 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000923361369 626469377 /nfs/dbraw/zinc/46/93/77/626469377.db2.gz JFLDAOBRALWXBS-SJORKVTESA-N 2 0 292.467 2.785 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCCO2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923372955 626469397 /nfs/dbraw/zinc/46/93/97/626469397.db2.gz KSNRQOZNLYPJMB-ONQFOCNCSA-N 2 0 292.467 2.798 20 0 CFADRP FC1(F)C[C@]12CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923393046 626470538 /nfs/dbraw/zinc/47/05/38/626470538.db2.gz MSIRLJZYXCQHRQ-GSPSYOTPSA-N 2 0 270.367 2.638 20 0 CFADRP Cc1nc(CN2C[C@H](C)[C@@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923411578 626471263 /nfs/dbraw/zinc/47/12/63/626471263.db2.gz NQTAUQJMTUYIOK-JQWIXIFHSA-N 2 0 281.469 2.776 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000923415196 626471636 /nfs/dbraw/zinc/47/16/36/626471636.db2.gz OZQCMHQGQDPGHF-NVXWUHKLSA-N 2 0 294.414 2.556 20 0 CFADRP C[C@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)CC(C)(C)C ZINC000923444266 626473318 /nfs/dbraw/zinc/47/33/18/626473318.db2.gz IDEGYVHXKFCROH-LSDHHAIUSA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000923458350 626473909 /nfs/dbraw/zinc/47/39/09/626473909.db2.gz OHGKFAPWARRPIT-OAHLLOKOSA-N 2 0 294.826 2.670 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923449896 626473957 /nfs/dbraw/zinc/47/39/57/626473957.db2.gz CWJCDFDAWKICBR-KRWDZBQOSA-N 2 0 288.435 2.633 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452912 626474059 /nfs/dbraw/zinc/47/40/59/626474059.db2.gz UAIMVABZMGTGSI-AWEZNQCLSA-N 2 0 268.445 2.643 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000923478978 626475804 /nfs/dbraw/zinc/47/58/04/626475804.db2.gz KYQXSIXDWPIWGS-BPQIPLTHSA-N 2 0 288.435 2.968 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000923480067 626475969 /nfs/dbraw/zinc/47/59/69/626475969.db2.gz UYMQEIBMTHMDIK-OIISXLGYSA-N 2 0 274.408 2.577 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000923483147 626476279 /nfs/dbraw/zinc/47/62/79/626476279.db2.gz MFNRGPHTXUYMBE-NSHDSACASA-N 2 0 286.778 2.529 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000923485763 626476304 /nfs/dbraw/zinc/47/63/04/626476304.db2.gz LKWJSYJTJZHJPV-HNNXBMFYSA-N 2 0 284.403 2.889 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000923485764 626476320 /nfs/dbraw/zinc/47/63/20/626476320.db2.gz LKWJSYJTJZHJPV-OAHLLOKOSA-N 2 0 284.403 2.889 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000923483742 626476337 /nfs/dbraw/zinc/47/63/37/626476337.db2.gz QSXNJWJJCJPBMM-GFCCVEGCSA-N 2 0 289.354 2.651 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923493828 626476671 /nfs/dbraw/zinc/47/66/71/626476671.db2.gz IQYXGAAZUXLMMX-KGLIPLIRSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@H]1C[NH3+] ZINC000923490988 626476823 /nfs/dbraw/zinc/47/68/23/626476823.db2.gz POPFHTPLLMEBSU-KGLIPLIRSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1C[N@H+](Cc2sccc2Cl)CC[C@H]1C[NH3+] ZINC000923494920 626476943 /nfs/dbraw/zinc/47/69/43/626476943.db2.gz QNHYXDGVYMKQQO-UWVGGRQHSA-N 2 0 258.818 2.818 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923502596 626476975 /nfs/dbraw/zinc/47/69/75/626476975.db2.gz CJIQBKXXLOEIIH-CVEARBPZSA-N 2 0 276.424 2.599 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497511 626477076 /nfs/dbraw/zinc/47/70/76/626477076.db2.gz LGOZGBVDTGMXAU-QWHCGFSZSA-N 2 0 264.438 2.825 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000923499791 626477433 /nfs/dbraw/zinc/47/74/33/626477433.db2.gz UEXUEOPRCDYWPB-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923500674 626477442 /nfs/dbraw/zinc/47/74/42/626477442.db2.gz WRWWKNMCKAOTBI-ZJUUUORDSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC000923499852 626477508 /nfs/dbraw/zinc/47/75/08/626477508.db2.gz UUWHMBJBHNDLJI-DZGCQCFKSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506870 626477833 /nfs/dbraw/zinc/47/78/33/626477833.db2.gz MNVYFKHQZDUJBY-VYDXJSESSA-N 2 0 280.456 2.656 20 0 CFADRP Nc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923507517 626477917 /nfs/dbraw/zinc/47/79/17/626477917.db2.gz OUQQCCNRXNWTEO-INIZCTEOSA-N 2 0 287.451 2.871 20 0 CFADRP Cc1nocc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507799 626477931 /nfs/dbraw/zinc/47/79/31/626477931.db2.gz RHABZKLAGDYZRR-AWEZNQCLSA-N 2 0 277.412 2.585 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CCC2 ZINC000923518220 626478314 /nfs/dbraw/zinc/47/83/14/626478314.db2.gz BRDXONCXSSALLZ-JJRVBVJISA-N 2 0 274.383 2.744 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519101 626478355 /nfs/dbraw/zinc/47/83/55/626478355.db2.gz PFPIUJZMOAHANN-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP C(C[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000923526751 626478590 /nfs/dbraw/zinc/47/85/90/626478590.db2.gz UFQILLSCKBGUNV-KBRIMQKVSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522353 626478702 /nfs/dbraw/zinc/47/87/02/626478702.db2.gz UPDGCEWXHQVKDH-FPMFFAJLSA-N 2 0 264.800 2.942 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000923549840 626479597 /nfs/dbraw/zinc/47/95/97/626479597.db2.gz QJLRJDSVXRJHKS-RDJZCZTQSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838872852 626512290 /nfs/dbraw/zinc/51/22/90/626512290.db2.gz QDUIERHPVHCENO-CRAIPNDOSA-N 2 0 294.483 2.734 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838926357 626515858 /nfs/dbraw/zinc/51/58/58/626515858.db2.gz DJNIVQWSBYVUGA-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP CO[C@H]1CC[C@H]([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000851750397 634511142 /nfs/dbraw/zinc/51/11/42/634511142.db2.gz FCAXXYYSLCMNPH-HOTGVXAUSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000763415472 626987085 /nfs/dbraw/zinc/98/70/85/626987085.db2.gz RQJYLKMWKKPXGH-BARDWOONSA-N 2 0 294.464 2.777 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)nc1)C1CC[NH+](C)CC1 ZINC000765127823 627119765 /nfs/dbraw/zinc/11/97/65/627119765.db2.gz UNKCGZXISIWIBA-NSHDSACASA-N 2 0 267.804 2.555 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)C1CCOCC1 ZINC000765250166 627126493 /nfs/dbraw/zinc/12/64/93/627126493.db2.gz BJRSZYBUPOSKMY-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000765307157 627130158 /nfs/dbraw/zinc/13/01/58/627130158.db2.gz WXQGOIHZAFCYEP-UONOGXRCSA-N 2 0 276.424 2.560 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3C2)[C@H](C)C1 ZINC000765334601 627131263 /nfs/dbraw/zinc/13/12/63/627131263.db2.gz PQZFSSIRZOMEBT-INMHGKMJSA-N 2 0 288.435 2.558 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000765849131 627161123 /nfs/dbraw/zinc/16/11/23/627161123.db2.gz NAOMFSGGRBPWBD-RDJZCZTQSA-N 2 0 289.467 2.963 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cc(C)cc(C)c2)CC1 ZINC000766127200 627179842 /nfs/dbraw/zinc/17/98/42/627179842.db2.gz CEJWHIGCTKSNFY-UHFFFAOYSA-N 2 0 260.425 2.920 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)oc2C)CC1 ZINC000767353576 627244600 /nfs/dbraw/zinc/24/46/00/627244600.db2.gz HGWIRAJGIVZJBV-UHFFFAOYSA-N 2 0 250.386 2.718 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccoc2)cc1 ZINC000769003137 627394545 /nfs/dbraw/zinc/39/45/45/627394545.db2.gz AVIYXOHGPHUKCA-UHFFFAOYSA-N 2 0 258.365 2.973 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000769013444 627395919 /nfs/dbraw/zinc/39/59/19/627395919.db2.gz SODPDOSUUMTALU-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000769518916 627451006 /nfs/dbraw/zinc/45/10/06/627451006.db2.gz HIKDMGHTIKEXKQ-GJZGRUSLSA-N 2 0 286.423 2.863 20 0 CFADRP COC1CC([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000769527020 627452357 /nfs/dbraw/zinc/45/23/57/627452357.db2.gz KUTXSAILJULNDU-UHFFFAOYSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000775022749 627985502 /nfs/dbraw/zinc/98/55/02/627985502.db2.gz GDHTVDDUGVXPRW-UHFFFAOYSA-N 2 0 262.397 2.860 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000776365585 628136272 /nfs/dbraw/zinc/13/62/72/628136272.db2.gz WYATWDJDDIGGDI-CHWSQXEVSA-N 2 0 293.480 2.842 20 0 CFADRP C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000779086308 628351164 /nfs/dbraw/zinc/35/11/64/628351164.db2.gz PTZGNMPWTPCBEB-MAUKXSAKSA-N 2 0 290.451 2.604 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000779342388 628375657 /nfs/dbraw/zinc/37/56/57/628375657.db2.gz RJDKZVBYVJAHBY-CVEARBPZSA-N 2 0 290.451 2.779 20 0 CFADRP C(CCC[NH2+]C1CSC1)CCC[NH+]1CCCC1 ZINC000780879742 628502058 /nfs/dbraw/zinc/50/20/58/628502058.db2.gz UXNYSKYEYKUPFX-UHFFFAOYSA-N 2 0 256.459 2.738 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C1CC(OC(C)(C)C)C1)C2 ZINC000852107348 634660799 /nfs/dbraw/zinc/66/07/99/634660799.db2.gz KZTSKCMYPAZYLZ-DQPZFDDXSA-N 2 0 280.456 2.750 20 0 CFADRP OCCCCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000781524301 628557019 /nfs/dbraw/zinc/55/70/19/628557019.db2.gz JYCSICUIUNGUNV-UHFFFAOYSA-N 2 0 282.472 2.926 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782182996 628611271 /nfs/dbraw/zinc/61/12/71/628611271.db2.gz HRCDDAWLTOQEHP-JKSUJKDBSA-N 2 0 282.472 2.854 20 0 CFADRP C[C@H](C1CC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000782194436 628613011 /nfs/dbraw/zinc/61/30/11/628613011.db2.gz YJUFHGDJOCQJRF-OAHLLOKOSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000783221832 628687865 /nfs/dbraw/zinc/68/78/65/628687865.db2.gz DHLSRAAXYGFIPQ-RISCZKNCSA-N 2 0 259.328 2.900 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000783243825 628692406 /nfs/dbraw/zinc/69/24/06/628692406.db2.gz DUQUQLLQBYENHP-CZUORRHYSA-N 2 0 259.397 2.686 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000783652294 628730899 /nfs/dbraw/zinc/73/08/99/628730899.db2.gz RRRZPGYXUSANTO-JKSUJKDBSA-N 2 0 280.456 2.608 20 0 CFADRP CCOC(CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)OCC ZINC000786969539 628987114 /nfs/dbraw/zinc/98/71/14/628987114.db2.gz GHKAKZVGUWEMAY-UHFFFAOYSA-N 2 0 286.460 2.628 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000787285990 629004799 /nfs/dbraw/zinc/00/47/99/629004799.db2.gz NLXYHSCRQRWTLW-HNNXBMFYSA-N 2 0 286.423 2.865 20 0 CFADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc[nH]c(=O)c1 ZINC000788612864 629086355 /nfs/dbraw/zinc/08/63/55/629086355.db2.gz WGRCKIJGTALJSN-OCCSQVGLSA-N 2 0 279.428 2.804 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@H](O)c1ccccc1 ZINC000794615755 629668798 /nfs/dbraw/zinc/66/87/98/629668798.db2.gz YVLMZCPEYYKJCZ-FGTMMUONSA-N 2 0 290.451 2.819 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCCCCCCO)C2)CC1 ZINC000799178779 630284305 /nfs/dbraw/zinc/28/43/05/630284305.db2.gz KHNTUQVQZCVBBC-UHFFFAOYSA-N 2 0 282.472 2.737 20 0 CFADRP ClC(Cl)=CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000852748807 634822923 /nfs/dbraw/zinc/82/29/23/634822923.db2.gz DVHWKOZCNYYJTK-NSHDSACASA-N 2 0 263.212 2.627 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC(c2ccon2)CC1 ZINC000852761369 634828211 /nfs/dbraw/zinc/82/82/11/634828211.db2.gz VGOMOCAQJBWEEH-UHFFFAOYSA-N 2 0 265.401 2.763 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806135550 630771672 /nfs/dbraw/zinc/77/16/72/630771672.db2.gz LJNZEFMOKUMRPC-GFCCVEGCSA-N 2 0 267.804 2.654 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806150371 630774521 /nfs/dbraw/zinc/77/45/21/630774521.db2.gz QUVOURHFZHGLHS-ZDUSSCGKSA-N 2 0 277.799 2.574 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000843128727 630827887 /nfs/dbraw/zinc/82/78/87/630827887.db2.gz NMFGVEIEYBTYNB-UHFFFAOYSA-N 2 0 272.339 2.897 20 0 CFADRP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000840807752 631227654 /nfs/dbraw/zinc/22/76/54/631227654.db2.gz FQZVSRLBWMJXRR-OCCSQVGLSA-N 2 0 279.428 2.928 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000809606529 631244659 /nfs/dbraw/zinc/24/46/59/631244659.db2.gz WAFSHVOOAMHUIO-DLBZAZTESA-N 2 0 273.424 2.539 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000809632845 631251377 /nfs/dbraw/zinc/25/13/77/631251377.db2.gz YHXVBADFHUPKLD-OLZOCXBDSA-N 2 0 299.484 2.797 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CC1CCC2(CC1)OCCO2 ZINC000809757431 631282348 /nfs/dbraw/zinc/28/23/48/631282348.db2.gz SSTLWNNXYVTHNH-UHFFFAOYSA-N 2 0 298.471 2.583 20 0 CFADRP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ncc(CN(C)C)s1 ZINC000809768239 631284218 /nfs/dbraw/zinc/28/42/18/631284218.db2.gz FSOMLWKUCOYBFK-RYUDHWBXSA-N 2 0 267.442 2.968 20 0 CFADRP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncc(CN(C)C)s1 ZINC000809768238 631285269 /nfs/dbraw/zinc/28/52/69/631285269.db2.gz FSOMLWKUCOYBFK-NWDGAFQWSA-N 2 0 267.442 2.968 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031990 631312416 /nfs/dbraw/zinc/31/24/16/631312416.db2.gz FQNCHFRTTIIRQT-HNNXBMFYSA-N 2 0 298.430 2.917 20 0 CFADRP C[C@H]1CC[NH2+]C[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841059199 631325280 /nfs/dbraw/zinc/32/52/80/631325280.db2.gz MXLTXAKIWFDMDV-MAUKXSAKSA-N 2 0 293.499 2.619 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1C ZINC000841072083 631331045 /nfs/dbraw/zinc/33/10/45/631331045.db2.gz FWJNFRZIJJRNQM-HNNXBMFYSA-N 2 0 276.424 2.790 20 0 CFADRP Cc1cn[nH]c1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000810142024 631333514 /nfs/dbraw/zinc/33/35/14/631333514.db2.gz AEGANTTYJUMWKS-UHFFFAOYSA-N 2 0 278.444 2.854 20 0 CFADRP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000841095072 631338219 /nfs/dbraw/zinc/33/82/19/631338219.db2.gz HNJVXIIKXVYKSF-MSOLQXFVSA-N 2 0 284.403 2.605 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000841096181 631338249 /nfs/dbraw/zinc/33/82/49/631338249.db2.gz SMDVFGXXBXOUKT-DNOPENIRSA-N 2 0 298.430 2.980 20 0 CFADRP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCCCCCC[NH3+] ZINC000842472604 631639529 /nfs/dbraw/zinc/63/95/29/631639529.db2.gz FWWYPUPZLXNQHT-SJORKVTESA-N 2 0 297.487 2.617 20 0 CFADRP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000043532883 650018851 /nfs/dbraw/zinc/01/88/51/650018851.db2.gz LRHDGZGVJREBFO-OAHLLOKOSA-N 2 0 297.406 2.616 20 0 CFADRP c1csc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000842474270 631641222 /nfs/dbraw/zinc/64/12/22/631641222.db2.gz LVELOCHVRLHZBK-UKRRQHHQSA-N 2 0 264.438 2.755 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCc2cccs2)CC1 ZINC000842477722 631642315 /nfs/dbraw/zinc/64/23/15/631642315.db2.gz AHXLEPCZKQEGRY-HOTGVXAUSA-N 2 0 294.464 2.509 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)oc21 ZINC000843046826 631812867 /nfs/dbraw/zinc/81/28/67/631812867.db2.gz BLEBTYUKTQFNFF-LBPRGKRZSA-N 2 0 274.364 2.612 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000843048451 631813192 /nfs/dbraw/zinc/81/31/92/631813192.db2.gz WLKUGWWXZPPLDA-NSHDSACASA-N 2 0 272.364 2.782 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055744 631818373 /nfs/dbraw/zinc/81/83/73/631818373.db2.gz NPDMJBODRAPYLH-UHFFFAOYSA-N 2 0 292.471 2.957 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000843105604 631836833 /nfs/dbraw/zinc/83/68/33/631836833.db2.gz YYCKOMRNXLPLPT-UHFFFAOYSA-N 2 0 265.426 2.770 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843119016 631840242 /nfs/dbraw/zinc/84/02/42/631840242.db2.gz SQDWCYZBATWXQP-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843128915 631847730 /nfs/dbraw/zinc/84/77/30/631847730.db2.gz ZGDWEUQJAJQCRN-KGLIPLIRSA-N 2 0 293.842 2.947 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CCCCCC[NH3+] ZINC000843128110 631848085 /nfs/dbraw/zinc/84/80/85/631848085.db2.gz HPVUWGDOYKZXQM-UHFFFAOYSA-N 2 0 286.423 2.789 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843128916 631848780 /nfs/dbraw/zinc/84/87/80/631848780.db2.gz ZGDWEUQJAJQCRN-UONOGXRCSA-N 2 0 293.842 2.947 20 0 CFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCCCCC[NH3+])c1 ZINC000843129530 631849250 /nfs/dbraw/zinc/84/92/50/631849250.db2.gz PKJHJJDTKSFGFX-UHFFFAOYSA-N 2 0 298.814 2.735 20 0 CFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000843339898 631930166 /nfs/dbraw/zinc/93/01/66/631930166.db2.gz JGNOUNXPUPZZRA-JFGNBEQYSA-N 2 0 284.325 2.582 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843341201 631931313 /nfs/dbraw/zinc/93/13/13/631931313.db2.gz HJGQQJBVHWRVJW-HUUCEWRRSA-N 2 0 278.444 2.555 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843340568 631931608 /nfs/dbraw/zinc/93/16/08/631931608.db2.gz BVLCOQPDRRVJSW-NSHDSACASA-N 2 0 256.415 2.926 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCCCC[NH3+])cc1OC ZINC000843341465 631931653 /nfs/dbraw/zinc/93/16/53/631931653.db2.gz FNHKKDTZJSCZJL-CYBMUJFWSA-N 2 0 280.412 2.874 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000843343232 631932196 /nfs/dbraw/zinc/93/21/96/631932196.db2.gz XTCDNULSCOPMFX-HNNXBMFYSA-N 2 0 272.396 2.608 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355815 631935420 /nfs/dbraw/zinc/93/54/20/631935420.db2.gz YCJCHZKRDCVNGM-UHFFFAOYSA-N 2 0 276.424 2.966 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009275 650040811 /nfs/dbraw/zinc/04/08/11/650040811.db2.gz ILDSCZGMIKJQTR-OAGGEKHMSA-N 2 0 290.455 2.514 20 0 CFADRP C[NH2+]CCC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000843358454 631936577 /nfs/dbraw/zinc/93/65/77/631936577.db2.gz NPCDTYNEDPBVRQ-MRXNPFEDSA-N 2 0 296.842 2.695 20 0 CFADRP CC1([NH3+])CC[NH+](CCOC2CCCCCC2)CC1 ZINC000843375357 631941607 /nfs/dbraw/zinc/94/16/07/631941607.db2.gz JQFKEORZYVVBIZ-UHFFFAOYSA-N 2 0 254.418 2.539 20 0 CFADRP COc1ccc2c(NC[C@H](C)C[NH+](C)C)cc[nH+]c2c1 ZINC000813613869 631942004 /nfs/dbraw/zinc/94/20/04/631942004.db2.gz GSJZJXHIEXXKJA-LBPRGKRZSA-N 2 0 273.380 2.853 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843387534 631942423 /nfs/dbraw/zinc/94/24/23/631942423.db2.gz GYLBTNQNRHCADE-AGIUHOORSA-N 2 0 291.266 2.892 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(-c2ccccc2)c1 ZINC000156173469 650046147 /nfs/dbraw/zinc/04/61/47/650046147.db2.gz DFSFYECKVPSGDX-OAHLLOKOSA-N 2 0 286.423 2.865 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000844223722 632137489 /nfs/dbraw/zinc/13/74/89/632137489.db2.gz AJWLBRAXUQHCPV-KGLIPLIRSA-N 2 0 277.412 2.620 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000844922149 632336769 /nfs/dbraw/zinc/33/67/69/632336769.db2.gz BAYPWHALQGQRHV-YVECIDJPSA-N 2 0 262.800 2.669 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@]1(F)Cl ZINC000844922185 632337047 /nfs/dbraw/zinc/33/70/47/632337047.db2.gz BNRKEMOJNVGRNL-POQQGIQPSA-N 2 0 274.811 2.669 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000844922528 632337988 /nfs/dbraw/zinc/33/79/88/632337988.db2.gz AJPMNPKNQMWSKL-AXFHLTTASA-N 2 0 265.228 2.691 20 0 CFADRP C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@H]1CCCC[NH2+]1 ZINC000844923916 632338000 /nfs/dbraw/zinc/33/80/00/632338000.db2.gz UZCMLYOFFQOIRE-UMSGYPCISA-N 2 0 262.800 2.811 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000844925673 632338533 /nfs/dbraw/zinc/33/85/33/632338533.db2.gz DWAVUVAUKRUZHA-CYBMUJFWSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CN[C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925485540 632354571 /nfs/dbraw/zinc/35/45/71/632354571.db2.gz CYTOGKPVOQXJJN-ZBFHGGJFSA-N 2 0 289.467 2.846 20 0 CFADRP Cc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)o1 ZINC000816642291 632499885 /nfs/dbraw/zinc/49/98/85/632499885.db2.gz VMSWJBAQSMLVPQ-MRXNPFEDSA-N 2 0 262.397 2.814 20 0 CFADRP CCC[N@H+](CCCCCC[NH3+])C[C@@H]1CCCCO1 ZINC000846218320 632664581 /nfs/dbraw/zinc/66/45/81/632664581.db2.gz QQYWVRYLIUHIBG-HNNXBMFYSA-N 2 0 256.434 2.787 20 0 CFADRP C[N@H+](CCCCCC[NH3+])[C@@H](CCO)c1ccccc1 ZINC000846218237 632664777 /nfs/dbraw/zinc/66/47/77/632664777.db2.gz NRXODJZGQPQFLT-INIZCTEOSA-N 2 0 264.413 2.561 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219062 632665059 /nfs/dbraw/zinc/66/50/59/632665059.db2.gz FARYMCVILLVGBG-KGLIPLIRSA-N 2 0 256.434 2.641 20 0 CFADRP C[C@@H](C[N@H+](C)CCCCCC[NH3+])c1nccs1 ZINC000846220569 632665321 /nfs/dbraw/zinc/66/53/21/632665321.db2.gz LFRITONBDBCWTG-LBPRGKRZSA-N 2 0 255.431 2.698 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846219939 632665386 /nfs/dbraw/zinc/66/53/86/632665386.db2.gz DBWQBBOOGZOHSX-UHFFFAOYSA-N 3 0 269.477 2.559 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000846220852 632666712 /nfs/dbraw/zinc/66/67/12/632666712.db2.gz WJLWCJGYJYUEEI-UHFFFAOYSA-N 2 0 297.393 2.606 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CCCCCCC1 ZINC000817888893 632716936 /nfs/dbraw/zinc/71/69/36/632716936.db2.gz KQGXVSMLVOIRAR-CWRNSKLLSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817892102 632718635 /nfs/dbraw/zinc/71/86/35/632718635.db2.gz QTIKOUBAWMBHBV-KBPBESRZSA-N 2 0 289.423 2.591 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000817892005 632718640 /nfs/dbraw/zinc/71/86/40/632718640.db2.gz IPDVIRVSVONMPV-RCCFBDPRSA-N 2 0 282.387 2.763 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000817894384 632719534 /nfs/dbraw/zinc/71/95/34/632719534.db2.gz NBVBLVPVLXJLAB-JJRVBVJISA-N 2 0 276.424 2.870 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000817894386 632719718 /nfs/dbraw/zinc/71/97/18/632719718.db2.gz NBVBLVPVLXJLAB-ZQIUZPCESA-N 2 0 276.424 2.870 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000817894065 632720012 /nfs/dbraw/zinc/72/00/12/632720012.db2.gz XMZVTXOOXLCUNX-KBAYOESNSA-N 2 0 290.451 2.929 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCNc1ccccc1 ZINC000817899954 632723837 /nfs/dbraw/zinc/72/38/37/632723837.db2.gz IZAUDGNDBAMENL-CYBMUJFWSA-N 2 0 284.407 2.611 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817900924 632724307 /nfs/dbraw/zinc/72/43/07/632724307.db2.gz RGFAUEVYTVCMNJ-AQEOSJORSA-N 3 0 293.499 2.904 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902413 632725923 /nfs/dbraw/zinc/72/59/23/632725923.db2.gz QFBCTXKHMOGTEC-OLZOCXBDSA-N 2 0 267.804 2.527 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817904619 632726825 /nfs/dbraw/zinc/72/68/25/632726825.db2.gz DWGSAQRDDVAJPK-RMHZUWNSSA-N 2 0 294.414 2.615 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000817905860 632727679 /nfs/dbraw/zinc/72/76/79/632727679.db2.gz OSUZJINLIAINLF-GXFFZTMASA-N 2 0 288.794 2.620 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817908061 632729285 /nfs/dbraw/zinc/72/92/85/632729285.db2.gz NDZRKQKLORSQGO-FGTMMUONSA-N 2 0 288.435 2.550 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817907682 632729295 /nfs/dbraw/zinc/72/92/95/632729295.db2.gz QPUJRSZVFDQNQP-NVXWUHKLSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000817912519 632730845 /nfs/dbraw/zinc/73/08/45/632730845.db2.gz APTITBUNUZCOFW-VXGBXAGGSA-N 2 0 273.380 2.724 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(Cl)nc1 ZINC000817924424 632736567 /nfs/dbraw/zinc/73/65/67/632736567.db2.gz XMKMFVQENMKFIP-WDEREUQCSA-N 2 0 255.793 2.903 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1Cl ZINC000817923370 632736574 /nfs/dbraw/zinc/73/65/74/632736574.db2.gz XCTISBFFFMVTDH-OAGGEKHMSA-N 2 0 296.842 2.797 20 0 CFADRP C[C@](O)(CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000817923598 632736663 /nfs/dbraw/zinc/73/66/63/632736663.db2.gz CYFMVXKOUDKWCD-BBWFWOEESA-N 2 0 276.424 2.534 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817928113 632738522 /nfs/dbraw/zinc/73/85/22/632738522.db2.gz YFXRAINWHJDSTO-QMTHXVAHSA-N 2 0 288.794 2.620 20 0 CFADRP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)c1ccccc1 ZINC000817927242 632739117 /nfs/dbraw/zinc/73/91/17/632739117.db2.gz HXNBLVJBIRNPIX-VQTPCSAVSA-N 2 0 288.435 2.761 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1C ZINC000817941405 632745187 /nfs/dbraw/zinc/74/51/87/632745187.db2.gz QACVAAPSZOAGGI-CQSZACIVSA-N 2 0 276.424 2.962 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817941344 632745414 /nfs/dbraw/zinc/74/54/14/632745414.db2.gz TVGLFBXQPXFZPR-AWEZNQCLSA-N 2 0 298.434 2.831 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000817942863 632746488 /nfs/dbraw/zinc/74/64/88/632746488.db2.gz GNZJLNMRCUIMOV-CYBMUJFWSA-N 2 0 250.386 2.736 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000817946805 632748670 /nfs/dbraw/zinc/74/86/70/632748670.db2.gz FCDRMWZOIJVDIA-AGIUHOORSA-N 2 0 258.475 2.884 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000817949535 632750104 /nfs/dbraw/zinc/75/01/04/632750104.db2.gz RZEGICUZEZSSKO-QGZVFWFLSA-N 2 0 288.435 2.627 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cn1 ZINC000817948942 632750664 /nfs/dbraw/zinc/75/06/64/632750664.db2.gz MOWPKNYPPLFJKS-AWEZNQCLSA-N 2 0 286.423 2.816 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000817954940 632755068 /nfs/dbraw/zinc/75/50/68/632755068.db2.gz NHWQLLXMINBOIY-OLZOCXBDSA-N 2 0 250.361 2.784 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccnc1Cl ZINC000817961103 632760292 /nfs/dbraw/zinc/76/02/92/632760292.db2.gz UPWLJDIYOPNDPX-GMXVVIOVSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817964427 632762837 /nfs/dbraw/zinc/76/28/37/632762837.db2.gz CLVXRPINMDOIPW-ZDUSSCGKSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817968812 632767408 /nfs/dbraw/zinc/76/74/08/632767408.db2.gz MWUNDLFWHRYVNS-DLBZAZTESA-N 2 0 260.425 2.985 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969648 632768527 /nfs/dbraw/zinc/76/85/27/632768527.db2.gz FVJMJXOJRWKOQB-OAGGEKHMSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccnc(Cl)c1 ZINC000817970503 632770215 /nfs/dbraw/zinc/77/02/15/632770215.db2.gz XTLXHTMQBOWXER-DLOVCJGASA-N 2 0 253.777 2.656 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817975402 632773235 /nfs/dbraw/zinc/77/32/35/632773235.db2.gz MZLYQDAGJLUGBD-GHMZBOCLSA-N 2 0 255.793 2.903 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817975404 632773798 /nfs/dbraw/zinc/77/37/98/632773798.db2.gz MZLYQDAGJLUGBD-QWRGUYRKSA-N 2 0 255.793 2.903 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000817977305 632774890 /nfs/dbraw/zinc/77/48/90/632774890.db2.gz HCMSNBYNAWJODQ-ZJUUUORDSA-N 2 0 286.217 2.622 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976872 632774949 /nfs/dbraw/zinc/77/49/49/632774949.db2.gz VZODBFLTPXMAGM-NWDGAFQWSA-N 2 0 256.459 2.638 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976976 632775175 /nfs/dbraw/zinc/77/51/75/632775175.db2.gz YAEBNCYTFJCTFB-JKSUJKDBSA-N 2 0 256.393 2.714 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000817976874 632775369 /nfs/dbraw/zinc/77/53/69/632775369.db2.gz VZODBFLTPXMAGM-VXGBXAGGSA-N 2 0 256.459 2.638 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817980973 632777801 /nfs/dbraw/zinc/77/78/01/632777801.db2.gz GBPJIFPMGLWNAD-RCBQFDQVSA-N 2 0 274.408 2.790 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984138 632781343 /nfs/dbraw/zinc/78/13/43/632781343.db2.gz OBCVGKUIEKYFJC-CYBMUJFWSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000817984938 632781379 /nfs/dbraw/zinc/78/13/79/632781379.db2.gz CQYLMFOGZDATGQ-XJFOESAGSA-N 2 0 270.486 2.884 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1Cl ZINC000817986848 632782328 /nfs/dbraw/zinc/78/23/28/632782328.db2.gz USANZEPWDVXTFR-WUHRBBMRSA-N 2 0 279.815 2.774 20 0 CFADRP COC(OC)c1ccc(F)c(C[NH2+]CCCC[NH+](C)C)c1 ZINC000818184596 632809143 /nfs/dbraw/zinc/80/91/43/632809143.db2.gz SBKGMYDJBRPZKB-UHFFFAOYSA-N 2 0 298.402 2.549 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000818959123 632915759 /nfs/dbraw/zinc/91/57/59/632915759.db2.gz DHSCTJPPSQXZQW-SFHVURJKSA-N 2 0 290.451 2.822 20 0 CFADRP C[C@H](C[NH2+]C[C@@H](O)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000818967007 632917338 /nfs/dbraw/zinc/91/73/38/632917338.db2.gz PGIGUSXXIDWZGG-CZUORRHYSA-N 2 0 296.842 2.695 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000818984468 632921727 /nfs/dbraw/zinc/92/17/27/632921727.db2.gz IEEJYNJBPWDDBK-RHSMWYFYSA-N 2 0 294.414 2.569 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000818989066 632924155 /nfs/dbraw/zinc/92/41/55/632924155.db2.gz HULCEEVRTHGWOD-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]CC1(O)CCCCC1)C(C)(C)C ZINC000819080415 632957009 /nfs/dbraw/zinc/95/70/09/632957009.db2.gz FWDPGEGOOGVGIP-AWEZNQCLSA-N 2 0 270.461 2.638 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000819102046 632964739 /nfs/dbraw/zinc/96/47/39/632964739.db2.gz GHUDHYHMLVAAIN-GDBMZVCRSA-N 2 0 278.440 2.594 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000819105473 632966475 /nfs/dbraw/zinc/96/64/75/632966475.db2.gz MQVGDUAWBSOLPU-QOKNQOGYSA-N 2 0 298.430 2.946 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccccc2C)CC1 ZINC000819106114 632966853 /nfs/dbraw/zinc/96/68/53/632966853.db2.gz MWCCGZXZSDDAFI-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000819183415 633001309 /nfs/dbraw/zinc/00/13/09/633001309.db2.gz WKVCTRHFAZQSPH-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819184534 633004629 /nfs/dbraw/zinc/00/46/29/633004629.db2.gz DEPNFPWSJOWXBA-IMRCBTMISA-N 2 0 294.414 2.569 20 0 CFADRP CCCCCC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000819219358 633024508 /nfs/dbraw/zinc/02/45/08/633024508.db2.gz CLVMKHVBKSIXRG-ZBFHGGJFSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000819227799 633028445 /nfs/dbraw/zinc/02/84/45/633028445.db2.gz FCAXSQLKMDSSHU-YOEHRIQHSA-N 2 0 294.414 2.713 20 0 CFADRP C[C@@H](CC[NH2+]CC1(O)CCCCC1)[NH+]1CCCCC1 ZINC000819231354 633028466 /nfs/dbraw/zinc/02/84/66/633028466.db2.gz UKOWWYFSRZEUNM-HNNXBMFYSA-N 2 0 268.445 2.536 20 0 CFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000819334118 633089503 /nfs/dbraw/zinc/08/95/03/633089503.db2.gz VLKGROXGKUQPJS-KRWDZBQOSA-N 2 0 294.414 2.715 20 0 CFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000819334587 633090023 /nfs/dbraw/zinc/09/00/23/633090023.db2.gz ZSEMLMKQHWEYCS-KRWDZBQOSA-N 2 0 294.414 2.715 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000857252656 635957260 /nfs/dbraw/zinc/95/72/60/635957260.db2.gz HVCQWWWTOOLVAP-AXFHLTTASA-N 2 0 265.228 2.691 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000857254243 635957284 /nfs/dbraw/zinc/95/72/84/635957284.db2.gz XHWYKVQPTOLYHY-VWYCJHECSA-N 2 0 265.228 2.691 20 0 CFADRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC2CCC2)cc1 ZINC000848982977 633415725 /nfs/dbraw/zinc/41/57/25/633415725.db2.gz PZQFGGRXEWDCPE-UHFFFAOYSA-N 2 0 288.439 2.695 20 0 CFADRP CC(C)[C@@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCCCC1 ZINC000848984162 633416882 /nfs/dbraw/zinc/41/68/82/633416882.db2.gz UPVZVLMGYLKLDC-OAHLLOKOSA-N 2 0 280.460 2.553 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NC1CCC1 ZINC000848985417 633417230 /nfs/dbraw/zinc/41/72/30/633417230.db2.gz XHWOABBMCVJDGA-UHFFFAOYSA-N 2 0 288.439 2.693 20 0 CFADRP CC(C)CNC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997118 633452126 /nfs/dbraw/zinc/45/21/26/633452126.db2.gz VCYLZNMLBNXJHV-UHFFFAOYSA-N 2 0 282.476 2.803 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000849003198 633454821 /nfs/dbraw/zinc/45/48/21/633454821.db2.gz UTVRLSJRJMNISH-LSDHHAIUSA-N 2 0 290.455 2.809 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)c1 ZINC000849016584 633462671 /nfs/dbraw/zinc/46/26/71/633462671.db2.gz UMSZSVKJPFYELV-UHFFFAOYSA-N 2 0 288.439 2.972 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCC2CC[NH+](C3CC3)CC2)c1 ZINC000849022966 633465572 /nfs/dbraw/zinc/46/55/72/633465572.db2.gz YVYBDZOJMFDKDC-UHFFFAOYSA-N 2 0 286.423 2.806 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000849024362 633466030 /nfs/dbraw/zinc/46/60/30/633466030.db2.gz VTWGEROKKZXXTN-AWEZNQCLSA-N 2 0 274.412 2.743 20 0 CFADRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCCCC1 ZINC000849026175 633467855 /nfs/dbraw/zinc/46/78/55/633467855.db2.gz MJYGJTCXAHGZRP-INIZCTEOSA-N 2 0 292.471 2.794 20 0 CFADRP CCc1cccc(NC(=[NH2+])NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000849040690 633476779 /nfs/dbraw/zinc/47/67/79/633476779.db2.gz BZQPPSWUZOCECO-HNNXBMFYSA-N 2 0 288.439 2.917 20 0 CFADRP CC(C)C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000849053364 633481675 /nfs/dbraw/zinc/48/16/75/633481675.db2.gz BFXJACCWHAHTKM-HOTGVXAUSA-N 2 0 294.487 2.753 20 0 CFADRP Cc1csc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000850420850 633985736 /nfs/dbraw/zinc/98/57/36/633985736.db2.gz RRNILOLBKNBTHE-UHFFFAOYSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850440033 633993541 /nfs/dbraw/zinc/99/35/41/633993541.db2.gz RQMSUSJEGWQHOK-JHJVBQTASA-N 2 0 262.438 2.540 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000850500541 634020154 /nfs/dbraw/zinc/02/01/54/634020154.db2.gz HQHCZSPMUWRIJD-CABCVRRESA-N 2 0 271.493 2.673 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850517047 634027634 /nfs/dbraw/zinc/02/76/34/634027634.db2.gz REYRTRJXCUPJAR-RHSMWYFYSA-N 2 0 273.424 2.682 20 0 CFADRP C[C@@H]1CCC[N@H+](CCC2SCCS2)[C@H]1CC[NH3+] ZINC000853022868 634879967 /nfs/dbraw/zinc/87/99/67/634879967.db2.gz GLSYYEPDHLRCIV-NEPJUHHUSA-N 2 0 274.499 2.632 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000853093071 634901463 /nfs/dbraw/zinc/90/14/63/634901463.db2.gz AVFMGCBJGRCXAY-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000853248685 634951208 /nfs/dbraw/zinc/95/12/08/634951208.db2.gz IMAVAUVAXWCWCX-RCBQFDQVSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221626 635261758 /nfs/dbraw/zinc/26/17/58/635261758.db2.gz QPWYPAHFLSGODL-RDTXWAMCSA-N 2 0 286.419 2.980 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1SCCS1 ZINC000854230184 635266398 /nfs/dbraw/zinc/26/63/98/635266398.db2.gz JGBSHGWIOWXJDJ-OCCSQVGLSA-N 2 0 296.505 2.731 20 0 CFADRP O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000854229346 635266549 /nfs/dbraw/zinc/26/65/49/635266549.db2.gz LULFRWDDTDEOOQ-HSFUPAIVSA-N 2 0 286.419 2.675 20 0 CFADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(C)C)C2)ccn1 ZINC000856552009 635832920 /nfs/dbraw/zinc/83/29/20/635832920.db2.gz FOHKOOVJDHUBRZ-KRWDZBQOSA-N 2 0 291.439 2.642 20 0 CFADRP CCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597872 635835191 /nfs/dbraw/zinc/83/51/91/635835191.db2.gz COCOQRKPVSXLLA-QGZVFWFLSA-N 2 0 291.439 2.785 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)CCCCCC[NH3+] ZINC000857087848 635927839 /nfs/dbraw/zinc/92/78/39/635927839.db2.gz WPMFJWHGRQPOBK-UHFFFAOYSA-N 2 0 279.428 2.658 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857845736 636030556 /nfs/dbraw/zinc/03/05/56/636030556.db2.gz RDNBJGGNADCBJW-HIFRSBDPSA-N 2 0 278.444 2.887 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1ccc(F)cc1 ZINC000858138639 636136531 /nfs/dbraw/zinc/13/65/31/636136531.db2.gz GUOFAMNOFJRTCI-VBNZEHGJSA-N 2 0 294.414 2.710 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1ccc(F)cc1 ZINC000858138636 636136973 /nfs/dbraw/zinc/13/69/73/636136973.db2.gz GUOFAMNOFJRTCI-APHBMKBZSA-N 2 0 294.414 2.710 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1ccc(F)cc1 ZINC000858138638 636137190 /nfs/dbraw/zinc/13/71/90/636137190.db2.gz GUOFAMNOFJRTCI-RCBQFDQVSA-N 2 0 294.414 2.710 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2Cl)CC1(C)C ZINC000858142785 636138054 /nfs/dbraw/zinc/13/80/54/636138054.db2.gz MIUQGSURBNFLPP-SWLSCSKDSA-N 2 0 296.842 2.836 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)CC1(C)C ZINC000858155332 636142968 /nfs/dbraw/zinc/14/29/68/636142968.db2.gz HEHGCIFVQCVPAD-GJZGRUSLSA-N 2 0 296.455 2.525 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)CC1(C)C ZINC000858155293 636143043 /nfs/dbraw/zinc/14/30/43/636143043.db2.gz HEHGCIFVQCVPAD-CABCVRRESA-N 2 0 296.455 2.525 20 0 CFADRP CCC[C@H](C)CCC[C@@H](C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000858405897 636222455 /nfs/dbraw/zinc/22/24/55/636222455.db2.gz UMBUAQYVHLNUIT-XHSDSOJGSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000047892297 650248436 /nfs/dbraw/zinc/24/84/36/650248436.db2.gz MRALPSXASCAVPI-GOSISDBHSA-N 2 0 289.467 2.611 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2cscn2)cc1 ZINC000859212102 636505596 /nfs/dbraw/zinc/50/55/96/636505596.db2.gz FEDDWJFHSHARPE-UHFFFAOYSA-N 2 0 289.448 2.879 20 0 CFADRP OCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000090080599 650276708 /nfs/dbraw/zinc/27/67/08/650276708.db2.gz IAGZGUPHSRAIMS-QGZVFWFLSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCCCCCC[NH+](C)C)o1 ZINC000862275456 637307527 /nfs/dbraw/zinc/30/75/27/637307527.db2.gz VAIDVHCNKKXRTO-UHFFFAOYSA-N 2 0 267.417 2.893 20 0 CFADRP CCOC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000862343328 637326434 /nfs/dbraw/zinc/32/64/34/637326434.db2.gz KGGDJLRETJIVGS-CQSZACIVSA-N 2 0 296.455 2.572 20 0 CFADRP FC(F)C1CC([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000862522879 637406041 /nfs/dbraw/zinc/40/60/41/637406041.db2.gz KKZVDIHHFMZVHB-XIVSLSHWSA-N 2 0 258.356 2.637 20 0 CFADRP FC(F)(F)c1ncccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863541182 637688169 /nfs/dbraw/zinc/68/81/69/637688169.db2.gz HFBITPIBVCNXDN-UHFFFAOYSA-N 2 0 299.340 2.676 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000863540383 637688642 /nfs/dbraw/zinc/68/86/42/637688642.db2.gz SYYYLPLHHPNLRC-AWEZNQCLSA-N 2 0 275.440 2.938 20 0 CFADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](CC[C@H]4CC[NH2+]C4)C[C@H]32)cc1 ZINC000863556460 637694953 /nfs/dbraw/zinc/69/49/53/637694953.db2.gz DCSJAOHTKDYMLE-LAVFITLUSA-N 2 0 270.420 2.722 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cnn(CC3CC[NH2+]CC3)c2)c1 ZINC000863691335 637747064 /nfs/dbraw/zinc/74/70/64/637747064.db2.gz AQJUSKIALSXHGT-UHFFFAOYSA-N 2 0 298.434 2.611 20 0 CFADRP c1nc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1C1CC1 ZINC000865460262 638350054 /nfs/dbraw/zinc/35/00/54/638350054.db2.gz JAUAQCWQWLSMGF-UHFFFAOYSA-N 2 0 290.455 2.964 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000865595750 638448149 /nfs/dbraw/zinc/44/81/49/638448149.db2.gz PCZIALBYNLLEKT-UHFFFAOYSA-N 2 0 285.794 2.838 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccncc2)CC1 ZINC000865715047 638530703 /nfs/dbraw/zinc/53/07/03/638530703.db2.gz HZXGHGOCKPKSBH-UHFFFAOYSA-N 2 0 261.413 2.682 20 0 CFADRP Cc1noc(C)c1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865715349 638531379 /nfs/dbraw/zinc/53/13/79/638531379.db2.gz PUPZQIJREGMAPV-UHFFFAOYSA-N 2 0 279.428 2.892 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000865717180 638532569 /nfs/dbraw/zinc/53/25/69/638532569.db2.gz RLWCVOQSCINTND-IIAWOOMASA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCO1 ZINC000865744170 638548483 /nfs/dbraw/zinc/54/84/83/638548483.db2.gz NXIAVWCPCAVOEH-KFWWJZLASA-N 2 0 266.429 2.551 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000865765899 638562101 /nfs/dbraw/zinc/56/21/01/638562101.db2.gz RIGUXMLUOHTQKA-UHFFFAOYSA-N 2 0 290.407 2.768 20 0 CFADRP CCOc1cncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000865765176 638562499 /nfs/dbraw/zinc/56/24/99/638562499.db2.gz ZMUSQZUQJYYSIN-UHFFFAOYSA-N 2 0 291.439 2.833 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865806984 638584807 /nfs/dbraw/zinc/58/48/07/638584807.db2.gz VOABEMVMGUCSQF-RDJZCZTQSA-N 2 0 287.451 2.636 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](Nc3cc[nH+]c(CO)c3)C2)cc1 ZINC000866116225 638745355 /nfs/dbraw/zinc/74/53/55/638745355.db2.gz JTRGXPUYQJMNEN-KRWDZBQOSA-N 2 0 297.402 2.569 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000866238346 638777434 /nfs/dbraw/zinc/77/74/34/638777434.db2.gz PGFPQTJNSALJCC-PVAVHDDUSA-N 2 0 273.424 2.619 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866248143 638779608 /nfs/dbraw/zinc/77/96/08/638779608.db2.gz LPHMOCMBEABHIW-NVXWUHKLSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000866369387 638806735 /nfs/dbraw/zinc/80/67/35/638806735.db2.gz LBTPXPCTYOTPTC-HNNXBMFYSA-N 2 0 275.440 2.867 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866373512 638808226 /nfs/dbraw/zinc/80/82/26/638808226.db2.gz OOOZNYWIQZGJTD-PVAVHDDUSA-N 2 0 280.456 2.656 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866403298 638815928 /nfs/dbraw/zinc/81/59/28/638815928.db2.gz RUQMMXXPVAPQBX-AWEZNQCLSA-N 2 0 268.470 2.594 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)C[C@H]2CCOC2)CC1 ZINC000866467416 638826287 /nfs/dbraw/zinc/82/62/87/638826287.db2.gz HKXVFLPFLMGXOG-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000866467863 638826307 /nfs/dbraw/zinc/82/63/07/638826307.db2.gz SGGPADOLFSDSQW-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000866470176 638826799 /nfs/dbraw/zinc/82/67/99/638826799.db2.gz UFFCVOCIGYNIDU-OAHLLOKOSA-N 2 0 290.455 2.508 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@]1(C)CCCO1 ZINC000866516841 638834371 /nfs/dbraw/zinc/83/43/71/638834371.db2.gz DAMSTKOXQUOIGO-SLTXQBBLSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@]1(C)CCCO1 ZINC000866516838 638834424 /nfs/dbraw/zinc/83/44/24/638834424.db2.gz DAMSTKOXQUOIGO-LBDPXKHJSA-N 2 0 268.445 2.797 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000866524266 638834774 /nfs/dbraw/zinc/83/47/74/638834774.db2.gz AVJGRGQKZJNICK-OTVXOJSOSA-N 2 0 296.455 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000866537025 638838084 /nfs/dbraw/zinc/83/80/84/638838084.db2.gz JZBFFICWPAMLPG-RDJZCZTQSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000866540441 638839034 /nfs/dbraw/zinc/83/90/34/638839034.db2.gz ZOKHIJHJDZRQJS-ADHGMGHFSA-N 2 0 292.467 2.512 20 0 CFADRP Cc1cc(C)c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)n1 ZINC000866664717 638862866 /nfs/dbraw/zinc/86/28/66/638862866.db2.gz KPYCFEJUJBTBGV-RBUKOAKNSA-N 2 0 295.430 2.934 20 0 CFADRP [NH3+]CCCN(Cc1coc(C2CC2)n1)CC1CCCC1 ZINC000866664704 638862880 /nfs/dbraw/zinc/86/28/80/638862880.db2.gz KHSFFTBZEDHOMY-UHFFFAOYSA-N 2 0 277.412 2.893 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)OC1 ZINC000866665972 638863109 /nfs/dbraw/zinc/86/31/09/638863109.db2.gz JOYBVHZIJQLGEH-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCC[NH2+]C1 ZINC000866717514 638870044 /nfs/dbraw/zinc/87/00/44/638870044.db2.gz HCPDNVFGGIPPEJ-AWEZNQCLSA-N 2 0 257.381 2.599 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)OC1CCCCCC1 ZINC000866715701 638870136 /nfs/dbraw/zinc/87/01/36/638870136.db2.gz FCVBMYAVPVHBBR-NVXWUHKLSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]CCCCCCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000866721756 638870423 /nfs/dbraw/zinc/87/04/23/638870423.db2.gz YRJFZFYXQHTQBP-HNNXBMFYSA-N 2 0 275.440 2.533 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000121993409 638919001 /nfs/dbraw/zinc/91/90/01/638919001.db2.gz AHTXAFUAPKPZSK-ZFWWWQNUSA-N 2 0 264.388 2.688 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CCCOC1 ZINC000872028348 641558978 /nfs/dbraw/zinc/55/89/78/641558978.db2.gz JHPORVSLMXEWSU-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C(C)(C)CC ZINC000872032201 641562218 /nfs/dbraw/zinc/56/22/18/641562218.db2.gz QDXGEDRDKKUVRL-CVEARBPZSA-N 2 0 283.504 2.674 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C(C)(C)CC ZINC000872032203 641563067 /nfs/dbraw/zinc/56/30/67/641563067.db2.gz QDXGEDRDKKUVRL-HZPDHXFCSA-N 2 0 283.504 2.674 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)CC ZINC000872033404 641564628 /nfs/dbraw/zinc/56/46/28/641564628.db2.gz GRBVEPKQBPYZRT-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)CC ZINC000872041065 641575668 /nfs/dbraw/zinc/57/56/68/641575668.db2.gz PJTZUBGJSXMALU-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000872069699 641601217 /nfs/dbraw/zinc/60/12/17/641601217.db2.gz SQUBHTDPOAIMFV-VXLLPVPCSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCOC1 ZINC000872079499 641612676 /nfs/dbraw/zinc/61/26/76/641612676.db2.gz NTVXAYXNAHQHBU-GOEBONIOSA-N 2 0 273.380 2.629 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000872088894 641622792 /nfs/dbraw/zinc/62/27/92/641622792.db2.gz WJFJJDKZSYOCEZ-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000872104974 641635765 /nfs/dbraw/zinc/63/57/65/641635765.db2.gz WEMKRBVTFARABK-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)OC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000872114832 641646053 /nfs/dbraw/zinc/64/60/53/641646053.db2.gz CMZHCNCWELKFBQ-AWEZNQCLSA-N 2 0 268.445 2.797 20 0 CFADRP c1ccc(NC2CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000872134930 641663899 /nfs/dbraw/zinc/66/38/99/641663899.db2.gz ZZWJIXGXOJZDID-CPFNUKBASA-N 2 0 285.435 2.846 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000872141653 641669516 /nfs/dbraw/zinc/66/95/16/641669516.db2.gz MSUUZDRZLJLICO-LBPRGKRZSA-N 2 0 291.439 2.749 20 0 CFADRP Clc1ncsc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000872142977 641670340 /nfs/dbraw/zinc/67/03/40/641670340.db2.gz IDQWATLSHHBIDL-GHMZBOCLSA-N 2 0 285.844 2.618 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146116 641674030 /nfs/dbraw/zinc/67/40/30/641674030.db2.gz GAVPXVZPGTWPAW-HUUCEWRRSA-N 2 0 290.455 2.712 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154893 641675576 /nfs/dbraw/zinc/67/55/76/641675576.db2.gz DQPJSSRWWVMCDP-GHMZBOCLSA-N 2 0 287.329 2.751 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCC(=O)Nc1ccc(F)cc1 ZINC000872155424 641675727 /nfs/dbraw/zinc/67/57/27/641675727.db2.gz RKCISUAJLLTIFP-UHFFFAOYSA-N 2 0 295.402 2.605 20 0 CFADRP CCOCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156071 641677264 /nfs/dbraw/zinc/67/72/64/641677264.db2.gz DJLADHGFHOGZKP-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP COC(=O)c1cc(C[N@H+](C)CCCCCC[NH3+])c(C)s1 ZINC000872155880 641677486 /nfs/dbraw/zinc/67/74/86/641677486.db2.gz ZLXDEOMIMJAARX-UHFFFAOYSA-N 2 0 298.452 2.794 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCCF)C1)C1CCCC1 ZINC000872156459 641678028 /nfs/dbraw/zinc/67/80/28/641678028.db2.gz JYWIGYFDCVBAKN-DZGCQCFKSA-N 2 0 256.409 2.966 20 0 CFADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158895 641679247 /nfs/dbraw/zinc/67/92/47/641679247.db2.gz YWROISZVBXSVIG-HOCLYGCPSA-N 2 0 296.455 2.559 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000872222901 641707418 /nfs/dbraw/zinc/70/74/18/641707418.db2.gz IEZMFKZDLPPICU-QGZVFWFLSA-N 2 0 284.488 2.884 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000872227176 641709605 /nfs/dbraw/zinc/70/96/05/641709605.db2.gz BAAQQGPOYKIMBJ-AQFXKWCLSA-N 2 0 294.414 2.712 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]cc3C3CC3)C2)C1 ZINC000872552541 641851112 /nfs/dbraw/zinc/85/11/12/641851112.db2.gz KDLFEOLBGBHSHV-KRWDZBQOSA-N 2 0 271.408 2.881 20 0 CFADRP CC(C)[NH+](CCCNC(=[NH2+])N1CCC(C)CC1)C(C)C ZINC000080624360 650698763 /nfs/dbraw/zinc/69/87/63/650698763.db2.gz SDXZNWHNXYZHOZ-UHFFFAOYSA-N 2 0 282.476 2.542 20 0 CFADRP C[C@H](c1ccccn1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206677 642067434 /nfs/dbraw/zinc/06/74/34/642067434.db2.gz IVRJVZGZZBSTMD-GFCCVEGCSA-N 2 0 287.432 2.982 20 0 CFADRP Fc1cccc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873211639 642068848 /nfs/dbraw/zinc/06/88/48/642068848.db2.gz QXDORBONQCOMFK-UHFFFAOYSA-N 2 0 276.380 2.823 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000873216630 642071137 /nfs/dbraw/zinc/07/11/37/642071137.db2.gz VTGNVFNXNCYMKN-RBUKOAKNSA-N 2 0 293.414 2.759 20 0 CFADRP C[C@@H]([NH2+]Cc1nccc2ccccc21)C1CC[NH2+]CC1 ZINC000873221594 642074932 /nfs/dbraw/zinc/07/49/32/642074932.db2.gz YCIIGPFMAUZPFD-CYBMUJFWSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccs1)C1CC[NH2+]CC1 ZINC000873221787 642075004 /nfs/dbraw/zinc/07/50/04/642075004.db2.gz QBPWBZQDLQJWGJ-LLVKDONJSA-N 2 0 290.436 2.616 20 0 CFADRP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000873222131 642075197 /nfs/dbraw/zinc/07/51/97/642075197.db2.gz ASKISHFMMNULDX-JDGPPOGSSA-N 2 0 280.362 2.956 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1F ZINC000873221627 642075327 /nfs/dbraw/zinc/07/53/27/642075327.db2.gz ZBHOMNPZQBXEPW-GFCCVEGCSA-N 2 0 250.361 2.612 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000873223496 642075958 /nfs/dbraw/zinc/07/59/58/642075958.db2.gz OWBLDCNDQKDGBV-WMZOPIPTSA-N 3 0 295.515 2.674 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222443 642076337 /nfs/dbraw/zinc/07/63/37/642076337.db2.gz SUWAHLIWGFGOBQ-LBPRGKRZSA-N 2 0 250.361 2.612 20 0 CFADRP COCCC1([NH2+]Cc2ccc(SC)cc2)CC[NH2+]CC1 ZINC000873224601 642077856 /nfs/dbraw/zinc/07/78/56/642077856.db2.gz HLQHEUCWDRGBLI-UHFFFAOYSA-N 2 0 294.464 2.657 20 0 CFADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231975 642084786 /nfs/dbraw/zinc/08/47/86/642084786.db2.gz HZSJTVOGYAUHCF-CGTJXYLNSA-N 2 0 295.515 2.837 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232456 642086584 /nfs/dbraw/zinc/08/65/84/642086584.db2.gz QEEAULPYPSEKHP-WBVHZDCISA-N 3 0 295.515 2.994 20 0 CFADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232814 642087371 /nfs/dbraw/zinc/08/73/71/642087371.db2.gz YYMRTSWMSFYXFO-ZBFHGGJFSA-N 2 0 290.455 2.838 20 0 CFADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH2+]C1 ZINC000873238260 642090177 /nfs/dbraw/zinc/09/01/77/642090177.db2.gz YRNFOWJZQFUXQC-LTIDMASMSA-N 2 0 293.499 2.665 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000873243565 642092281 /nfs/dbraw/zinc/09/22/81/642092281.db2.gz YJLIPYNPJNHOFA-NVXWUHKLSA-N 3 0 281.488 2.617 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248838 642095515 /nfs/dbraw/zinc/09/55/15/642095515.db2.gz FGGGZMZUZMGYMX-LQKXBSAESA-N 2 0 274.408 2.559 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248914 642095543 /nfs/dbraw/zinc/09/55/43/642095543.db2.gz GYZRDVLNERRUBV-SGMGOOAPSA-N 2 0 258.365 2.691 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249254 642095911 /nfs/dbraw/zinc/09/59/11/642095911.db2.gz JOGRIKUPDACHNF-QKCSRTOESA-N 2 0 297.240 2.707 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873250483 642097052 /nfs/dbraw/zinc/09/70/52/642097052.db2.gz GBAFXOPVIVJSRR-XQHKEYJVSA-N 2 0 276.346 2.861 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000873251235 642097518 /nfs/dbraw/zinc/09/75/18/642097518.db2.gz KPEMMAFTPCNHSH-ISTRZQFTSA-N 2 0 286.419 2.716 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000873252303 642097881 /nfs/dbraw/zinc/09/78/81/642097881.db2.gz NHABKGRVJXFKPW-WDEREUQCSA-N 2 0 288.313 2.787 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000873252885 642098804 /nfs/dbraw/zinc/09/88/04/642098804.db2.gz WYOLTFIJQFWLEN-MJEQTWJJSA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000873253720 642099981 /nfs/dbraw/zinc/09/99/81/642099981.db2.gz DAMYWICHLFBNTP-LJWDBELGSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253704 642100120 /nfs/dbraw/zinc/10/01/20/642100120.db2.gz CSLQSNNOZFFYDR-LSSIXWDNSA-N 2 0 262.372 2.776 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253805 642100249 /nfs/dbraw/zinc/10/02/49/642100249.db2.gz FMDGMMOOGZGJCV-KCQAQPDRSA-N 2 0 262.397 2.863 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255443 642100867 /nfs/dbraw/zinc/10/08/67/642100867.db2.gz GZEOCIOXUFENOR-YUSALJHKSA-N 2 0 267.442 2.963 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CCCS2 ZINC000873254947 642101024 /nfs/dbraw/zinc/10/10/24/642101024.db2.gz CBHIXEGMOWJZQB-LALPHHSUSA-N 2 0 292.448 2.949 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1C ZINC000873254829 642101087 /nfs/dbraw/zinc/10/10/87/642101087.db2.gz AAUCXWAMDGTSRS-IHRRRGAJSA-N 2 0 262.397 2.700 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256134 642101534 /nfs/dbraw/zinc/10/15/34/642101534.db2.gz LXXRDCBESLGJCV-QSPRXWTASA-N 2 0 258.409 2.958 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255731 642101844 /nfs/dbraw/zinc/10/18/44/642101844.db2.gz JFLSXWCZLWGHGJ-NOLJZWGESA-N 2 0 284.407 2.569 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000873255715 642101899 /nfs/dbraw/zinc/10/18/99/642101899.db2.gz ISSUMKCWGTVPML-BHDSKKPTSA-N 2 0 295.224 2.763 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C2CC2)c1 ZINC000873256747 642102467 /nfs/dbraw/zinc/10/24/67/642102467.db2.gz PYUPXVGWZGDFHO-DJIMGWMZSA-N 2 0 258.409 2.643 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000873256657 642102665 /nfs/dbraw/zinc/10/26/65/642102665.db2.gz BWSOIUGLFBHJCA-PBFPGSCMSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1Br ZINC000873258732 642103525 /nfs/dbraw/zinc/10/35/25/642103525.db2.gz TUZMQQIKPAHHJL-DCAQKATOSA-N 2 0 283.213 2.837 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873259891 642104043 /nfs/dbraw/zinc/10/40/43/642104043.db2.gz ODWXOOLWIHAMHL-UTNFCUCBSA-N 2 0 274.383 2.933 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCO2 ZINC000873259772 642104609 /nfs/dbraw/zinc/10/46/09/642104609.db2.gz KYUVELLJXWFPGH-CLROSIBMSA-N 2 0 286.419 2.803 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260141 642105170 /nfs/dbraw/zinc/10/51/70/642105170.db2.gz UALVZZGKTJARRQ-MHEUCROKSA-N 2 0 264.438 2.799 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262669 642106659 /nfs/dbraw/zinc/10/66/59/642106659.db2.gz BCVRZVWMOIQPQQ-XFIYOXNOSA-N 2 0 280.456 2.700 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000873264742 642107941 /nfs/dbraw/zinc/10/79/41/642107941.db2.gz QVWSZGITFJOXMP-YIDVYQOGSA-N 2 0 280.456 2.699 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000873267825 642110091 /nfs/dbraw/zinc/11/00/91/642110091.db2.gz KHAKVGWIPJTAGL-ZJUUUORDSA-N 2 0 267.442 2.799 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269450 642111581 /nfs/dbraw/zinc/11/15/81/642111581.db2.gz QACQIAZCMJCPCY-OLZOCXBDSA-N 2 0 261.413 2.683 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CC2 ZINC000873270168 642111871 /nfs/dbraw/zinc/11/18/71/642111871.db2.gz PGHKXDOIGHKTMR-SJCJKPOMSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873270171 642111891 /nfs/dbraw/zinc/11/18/91/642111891.db2.gz YFJGFHGFLDWGOW-GHMZBOCLSA-N 2 0 268.426 2.795 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC[NH2+]CC1 ZINC000873269881 642111938 /nfs/dbraw/zinc/11/19/38/642111938.db2.gz LSRZRHIBHZCRLV-MEDUHNTESA-N 2 0 262.372 2.791 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000873271092 642112792 /nfs/dbraw/zinc/11/27/92/642112792.db2.gz DPICRFTUQNBYIX-STQMWFEESA-N 2 0 292.471 2.985 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873271513 642112871 /nfs/dbraw/zinc/11/28/71/642112871.db2.gz IIBREYNPUBNDKM-AEGPPILISA-N 2 0 268.445 2.556 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000873271955 642113447 /nfs/dbraw/zinc/11/34/47/642113447.db2.gz NITVDTXJDIFLTA-LRDDRELGSA-N 2 0 279.403 2.896 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873271931 642113473 /nfs/dbraw/zinc/11/34/73/642113473.db2.gz MLYCJKZQFDEWHY-XJKSGUPXSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H]([NH2+][C@H](c1cccnc1)C1CCC1)C1CC[NH2+]CC1 ZINC000873272268 642113567 /nfs/dbraw/zinc/11/35/67/642113567.db2.gz RFCHABWOOWUXIE-GUYCJALGSA-N 2 0 273.424 2.901 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000873280586 642116844 /nfs/dbraw/zinc/11/68/44/642116844.db2.gz BONWHJRRUZOGFT-VIFPVBQESA-N 2 0 296.358 2.610 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c2ccccc21 ZINC000873282178 642117241 /nfs/dbraw/zinc/11/72/41/642117241.db2.gz QZNJMGIGDAHACL-RTLLQYERSA-N 2 0 272.392 2.678 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c2ccccc21 ZINC000873282175 642117317 /nfs/dbraw/zinc/11/73/17/642117317.db2.gz QZNJMGIGDAHACL-CJQITXGSSA-N 2 0 272.392 2.678 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283470 642118089 /nfs/dbraw/zinc/11/80/89/642118089.db2.gz URWKGLAOGXQKLJ-HTQZYQBOSA-N 2 0 295.736 2.969 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288933 642122189 /nfs/dbraw/zinc/12/21/89/642122189.db2.gz CSVOKSRZRIOLNG-CVEARBPZSA-N 2 0 280.456 2.870 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C)C1 ZINC000873293417 642124916 /nfs/dbraw/zinc/12/49/16/642124916.db2.gz MBYVHDVLUOHDEF-WCVJEAGWSA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293878 642124967 /nfs/dbraw/zinc/12/49/67/642124967.db2.gz RFNOKGAPAQTWMC-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H](NC1CC(Nc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000873295935 642126387 /nfs/dbraw/zinc/12/63/87/642126387.db2.gz SPPSNILHRJDAJK-YJNKEBTESA-N 2 0 273.424 2.750 20 0 CFADRP Cc1nccnc1[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000873295808 642126983 /nfs/dbraw/zinc/12/69/83/642126983.db2.gz QJXOSVFWQIMCOB-QEJZJMRPSA-N 2 0 276.428 2.746 20 0 CFADRP c1ccc(NC2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000873296256 642127825 /nfs/dbraw/zinc/12/78/25/642127825.db2.gz WBBRCTCZTZFHSS-ZFKNDCOASA-N 2 0 285.435 2.607 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000876811908 643021190 /nfs/dbraw/zinc/02/11/90/643021190.db2.gz IHHMKBRGZGRPEX-KBPBESRZSA-N 2 0 270.486 2.934 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000876934017 643070737 /nfs/dbraw/zinc/07/07/37/643070737.db2.gz CEPZKHAXPAKBKB-UHFFFAOYSA-N 2 0 296.846 2.732 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]CC1CC[NH+](C)CC1 ZINC000126280442 643088991 /nfs/dbraw/zinc/08/89/91/643088991.db2.gz YJSMOXDYEARXAC-GFCCVEGCSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000126301446 643110495 /nfs/dbraw/zinc/11/04/95/643110495.db2.gz JMFCXOOVGLPGOH-LLVKDONJSA-N 2 0 267.804 2.727 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000877090928 643147731 /nfs/dbraw/zinc/14/77/31/643147731.db2.gz YGZRJIYEURJBEW-IRXDYDNUSA-N 2 0 294.483 2.924 20 0 CFADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000877138004 643170636 /nfs/dbraw/zinc/17/06/36/643170636.db2.gz HCSWYUMAYWIWER-ORAYPTAESA-N 2 0 288.372 2.561 20 0 CFADRP C[NH+](C)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877461509 643281666 /nfs/dbraw/zinc/28/16/66/643281666.db2.gz BPZNJKWGWGHFDA-AEFFLSMTSA-N 2 0 287.451 2.506 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089139942 650828557 /nfs/dbraw/zinc/82/85/57/650828557.db2.gz MKNGNXRRKRERJW-UKRRQHHQSA-N 2 0 266.816 2.990 20 0 CFADRP CC[C@](C)(C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497348 643310059 /nfs/dbraw/zinc/31/00/59/643310059.db2.gz OBUWTWVWNNJXTF-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[C@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000877525282 643330039 /nfs/dbraw/zinc/33/00/39/643330039.db2.gz XVXQNTNCYPQCCI-QGZVFWFLSA-N 2 0 278.440 2.995 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000877528471 643332552 /nfs/dbraw/zinc/33/25/52/643332552.db2.gz BDQYPRSOLBFQNV-OLZOCXBDSA-N 2 0 291.266 2.844 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)s1)CC1CC[NH+](C)CC1 ZINC000877665397 643441945 /nfs/dbraw/zinc/44/19/45/643441945.db2.gz UHCMZBITCWOSMQ-UHFFFAOYSA-N 2 0 296.480 2.847 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000877697019 643459313 /nfs/dbraw/zinc/45/93/13/643459313.db2.gz FNQUHOYNWSRBHX-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CCOC[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718828 643482608 /nfs/dbraw/zinc/48/26/08/643482608.db2.gz VHBYNVRSPBNJFD-INIZCTEOSA-N 2 0 290.451 2.665 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000877737455 643498646 /nfs/dbraw/zinc/49/86/46/643498646.db2.gz GHIYTJXIHOUWDL-IPELMVKDSA-N 2 0 284.447 2.818 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877738193 643500596 /nfs/dbraw/zinc/50/05/96/643500596.db2.gz AMJGIZZBGIJHLI-UWWQBHOKSA-N 2 0 288.435 2.825 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000877738677 643504037 /nfs/dbraw/zinc/50/40/37/643504037.db2.gz CKHVIHBSJJLJAW-IAGOWNOFSA-N 2 0 258.409 2.564 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)C1CCCCC1 ZINC000877741638 643509777 /nfs/dbraw/zinc/50/97/77/643509777.db2.gz WKKQHVFUEOJMPH-YESZJQIVSA-N 2 0 280.456 2.608 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742929 643517264 /nfs/dbraw/zinc/51/72/64/643517264.db2.gz HOKLWLFSQIOKES-OLZOCXBDSA-N 2 0 250.411 2.583 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877744894 643525110 /nfs/dbraw/zinc/52/51/10/643525110.db2.gz YSGQWEIMMMVRPS-SJORKVTESA-N 2 0 258.409 2.829 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000877746106 643526249 /nfs/dbraw/zinc/52/62/49/643526249.db2.gz HYSBYUAVXMPFAQ-DLBZAZTESA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000877968464 643669839 /nfs/dbraw/zinc/66/98/39/643669839.db2.gz MPJLJWNVYYNZPX-OKZBNKHCSA-N 2 0 294.483 2.998 20 0 CFADRP C(CC1CC1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878132647 643753309 /nfs/dbraw/zinc/75/33/09/643753309.db2.gz AXKNYAVROMUWJE-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[N@H+](CCCOC(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000878136454 643755191 /nfs/dbraw/zinc/75/51/91/643755191.db2.gz ZRFQEUBJVOYXPU-GFCCVEGCSA-N 2 0 282.350 2.719 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878167696 643773304 /nfs/dbraw/zinc/77/33/04/643773304.db2.gz XXNMGSHBWSVINA-HUUCEWRRSA-N 2 0 282.472 2.854 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878167252 643773860 /nfs/dbraw/zinc/77/38/60/643773860.db2.gz QYEGLBJWDJWOFK-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC1(C)CCC[C@@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000878190419 643786097 /nfs/dbraw/zinc/78/60/97/643786097.db2.gz HENYBLRZQBFAEO-INIZCTEOSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CC(C)(C)C ZINC000878247795 643806780 /nfs/dbraw/zinc/80/67/80/643806780.db2.gz IBBNXMYMPNWCJR-DLBZAZTESA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)CC(C)(C)C ZINC000878247798 643806952 /nfs/dbraw/zinc/80/69/52/643806952.db2.gz IBBNXMYMPNWCJR-SJORKVTESA-N 2 0 295.515 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)[C@H](C)C1 ZINC000878258509 643810784 /nfs/dbraw/zinc/81/07/84/643810784.db2.gz RIRBGDMDDGAQGQ-PMPSAXMXSA-N 2 0 280.456 2.608 20 0 CFADRP CO[C@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000878295453 643825864 /nfs/dbraw/zinc/82/58/64/643825864.db2.gz AYCLCQYGGXZAHV-HDICACEKSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[C@@H](O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000878296104 643827239 /nfs/dbraw/zinc/82/72/39/643827239.db2.gz MJKWBXAXTPYJMC-SFHVURJKSA-N 2 0 296.499 2.981 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878328758 643842356 /nfs/dbraw/zinc/84/23/56/643842356.db2.gz NZQILTAFIFYWEB-UHFFFAOYSA-N 2 0 296.377 2.967 20 0 CFADRP C=C/C=C/CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000878447385 643899103 /nfs/dbraw/zinc/89/91/03/643899103.db2.gz MCGPKNURTIADAX-YMPXZSTISA-N 2 0 280.456 2.845 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878513265 643921945 /nfs/dbraw/zinc/92/19/45/643921945.db2.gz YUSIMSRWQGLTAJ-LSDHHAIUSA-N 2 0 268.445 2.750 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878652413 643975914 /nfs/dbraw/zinc/97/59/14/643975914.db2.gz PSCNDBVAVJQUNJ-JKSUJKDBSA-N 2 0 278.440 2.506 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)CC(C)(C)C ZINC000878994320 644102779 /nfs/dbraw/zinc/10/27/79/644102779.db2.gz WSISVGFRZQFYPB-GDBMZVCRSA-N 2 0 282.472 2.590 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1C[C@@H](OC)C1 ZINC000879058492 644128846 /nfs/dbraw/zinc/12/88/46/644128846.db2.gz OVBHCTICADHFAB-HDICACEKSA-N 2 0 290.451 2.995 20 0 CFADRP COCC[N@H+](CC1CC2(CCC2)C1)CC1CC[NH+](C)CC1 ZINC000879127353 644152074 /nfs/dbraw/zinc/15/20/74/644152074.db2.gz WHWZZZIMNMHNQG-UHFFFAOYSA-N 2 0 294.483 2.857 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879243355 644188998 /nfs/dbraw/zinc/18/89/98/644188998.db2.gz JTNGWGDFCGHMOU-KZNAEPCWSA-N 2 0 288.435 2.669 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245743 644192113 /nfs/dbraw/zinc/19/21/13/644192113.db2.gz MVTBCOKKEIGTOB-ROUUACIJSA-N 2 0 290.451 2.916 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC(C)(C)CO1)CC2 ZINC000879250957 644195006 /nfs/dbraw/zinc/19/50/06/644195006.db2.gz NOFVPSHFQXSABR-HNNXBMFYSA-N 2 0 280.456 2.609 20 0 CFADRP CCC(F)(F)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250500 644195080 /nfs/dbraw/zinc/19/50/80/644195080.db2.gz GMTHWIHUFRTKBQ-UHFFFAOYSA-N 2 0 260.372 2.840 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)CC1CCCC1)CC2 ZINC000879250143 644195094 /nfs/dbraw/zinc/19/50/94/644195094.db2.gz NMKQXYWEVSWDLL-QGZVFWFLSA-N 2 0 294.483 2.735 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545244 650902946 /nfs/dbraw/zinc/90/29/46/650902946.db2.gz DWRNDLDEBFIEBU-OCCSQVGLSA-N 2 0 252.789 2.899 20 0 CFADRP Cc1ccccc1CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576060 644331091 /nfs/dbraw/zinc/33/10/91/644331091.db2.gz PDLQRFKBLHLDGP-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879580379 644337218 /nfs/dbraw/zinc/33/72/18/644337218.db2.gz GQFVZRDQGLMYQH-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1ncc(C[NH2+]C2CCC([NH3+])CC2)n1-c1ccccc1 ZINC000092129005 650915186 /nfs/dbraw/zinc/91/51/86/650915186.db2.gz JYOJFMVUYPKQNJ-UHFFFAOYSA-N 2 0 284.407 2.540 20 0 CFADRP Cc1oncc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704686 644389513 /nfs/dbraw/zinc/38/95/13/644389513.db2.gz SQAXSSIESYLNDX-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP Cc1conc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879706539 644390651 /nfs/dbraw/zinc/39/06/51/644390651.db2.gz YPECAMKBKNHKCT-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1CCO[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879706594 644391129 /nfs/dbraw/zinc/39/11/29/644391129.db2.gz ZOKVBGDQAKIKFT-RDJZCZTQSA-N 2 0 282.472 2.711 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@H](C)CSC(C)(C)C ZINC000248065289 650922626 /nfs/dbraw/zinc/92/26/26/650922626.db2.gz ZIHRZDQHKOBVKJ-OLZOCXBDSA-N 2 0 258.475 2.981 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000879947976 644469006 /nfs/dbraw/zinc/46/90/06/644469006.db2.gz REOGSABGYUNINP-HZPDHXFCSA-N 2 0 280.456 2.630 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000879952737 644472187 /nfs/dbraw/zinc/47/21/87/644472187.db2.gz ZUADQVLMFRLDIZ-MRXNPFEDSA-N 2 0 280.456 2.896 20 0 CFADRP COC(=O)CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000880038752 644511202 /nfs/dbraw/zinc/51/12/02/644511202.db2.gz NRLVIVYEJSEXQC-HOTGVXAUSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258596 644615737 /nfs/dbraw/zinc/61/57/37/644615737.db2.gz AXHWEYCHJHBJKK-GDBMZVCRSA-N 2 0 289.423 2.550 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880259242 644617272 /nfs/dbraw/zinc/61/72/72/644617272.db2.gz ODBNJDGLCAXEMV-GFCCVEGCSA-N 2 0 281.350 2.637 20 0 CFADRP CC(CC[NH+]1CC[C@@H](CF)C1)CC[N@@H+]1CC[C@@H](CF)C1 ZINC000880299021 644639222 /nfs/dbraw/zinc/63/92/22/644639222.db2.gz CGENBCBEGAMJJJ-HOTGVXAUSA-N 2 0 288.426 2.986 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554125 644765515 /nfs/dbraw/zinc/76/55/15/644765515.db2.gz SXGUGZHVKMOVDJ-MSOLQXFVSA-N 2 0 299.462 2.955 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000128615464 644839354 /nfs/dbraw/zinc/83/93/54/644839354.db2.gz SLSLPVTXQKYILL-UONOGXRCSA-N 2 0 256.459 2.733 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000094950169 650965669 /nfs/dbraw/zinc/96/56/69/650965669.db2.gz NMMVQEFRBKVYMK-BBRMVZONSA-N 2 0 264.388 2.797 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000129037512 644983037 /nfs/dbraw/zinc/98/30/37/644983037.db2.gz TYFVFGWUVBRDSW-ZBFHGGJFSA-N 2 0 262.397 2.878 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000249937909 650969915 /nfs/dbraw/zinc/96/99/15/650969915.db2.gz GRQKINUQZRFYSD-MWDXBVQZSA-N 2 0 281.488 2.617 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129236107 645126317 /nfs/dbraw/zinc/12/63/17/645126317.db2.gz QSSHUWFEGDEHKQ-YPMHNXCESA-N 2 0 250.411 2.857 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251169336 650985099 /nfs/dbraw/zinc/98/50/99/650985099.db2.gz DTGUTGYJASHXSZ-LTIDMASMSA-N 2 0 279.472 2.514 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000251230250 650985501 /nfs/dbraw/zinc/98/55/01/650985501.db2.gz AWROUDSMUFLGJR-HEHGZKQESA-N 2 0 292.423 2.872 20 0 CFADRP C([NH2+]C1CCC2(CCCC2)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000129431777 645193233 /nfs/dbraw/zinc/19/32/33/645193233.db2.gz UTNBDPOKTVCRSU-IAGOWNOFSA-N 2 0 292.467 2.942 20 0 CFADRP Cc1c[nH+]ccc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000882820587 645470721 /nfs/dbraw/zinc/47/07/21/645470721.db2.gz UBJHNTYOLDDMLS-CQSZACIVSA-N 2 0 268.364 2.500 20 0 CFADRP Cc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc[nH+]1 ZINC000882821414 645470766 /nfs/dbraw/zinc/47/07/66/645470766.db2.gz UXHJBXMUHMOLQO-CQSZACIVSA-N 2 0 268.364 2.500 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882960197 645530259 /nfs/dbraw/zinc/53/02/59/645530259.db2.gz CNNDWGJCEYCPAR-QLPKVWCKSA-N 2 0 280.456 2.656 20 0 CFADRP Nc1cnccc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000882981447 645539303 /nfs/dbraw/zinc/53/93/03/645539303.db2.gz LZDNWWRYEOUHNJ-UHFFFAOYSA-N 2 0 290.455 2.800 20 0 CFADRP CC(C)[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000252841508 651026883 /nfs/dbraw/zinc/02/68/83/651026883.db2.gz CDMDMJAFPRGACA-PNRVRQOCSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000883186125 645648214 /nfs/dbraw/zinc/64/82/14/645648214.db2.gz LVOHCMJWQKXXGB-BRWVUGGUSA-N 2 0 295.515 2.674 20 0 CFADRP C([C@H]1CCCO1)N1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883189634 645651220 /nfs/dbraw/zinc/65/12/20/645651220.db2.gz MCTOJLKKGMPCDJ-IAGOWNOFSA-N 2 0 292.467 2.942 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)CO2)[C@@H](C)C1 ZINC000883249383 645696381 /nfs/dbraw/zinc/69/63/81/645696381.db2.gz DOFOIBIJKJZLCE-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[C@@H]21 ZINC000883249525 645697341 /nfs/dbraw/zinc/69/73/41/645697341.db2.gz JBUSQUHEZLGTAU-VGWMRTNUSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000131461624 645728591 /nfs/dbraw/zinc/72/85/91/645728591.db2.gz CYBAQFFLKHZAPX-VXGBXAGGSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000131462007 645728715 /nfs/dbraw/zinc/72/87/15/645728715.db2.gz CYBAQFFLKHZAPX-NEPJUHHUSA-N 2 0 273.355 2.543 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCCSC1)C(C)C ZINC000131654121 645779095 /nfs/dbraw/zinc/77/90/95/645779095.db2.gz UEHKIGDSYMEWPH-CQSZACIVSA-N 2 0 258.475 2.981 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883417630 645811412 /nfs/dbraw/zinc/81/14/12/645811412.db2.gz IEKBAQOYVHNGAF-DZOHQFGASA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883425042 645819349 /nfs/dbraw/zinc/81/93/49/645819349.db2.gz KBWCNALXGWBWGT-RKTXRCNFSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883427027 645820746 /nfs/dbraw/zinc/82/07/46/645820746.db2.gz GPVJNCFYRMWPLE-SZMVWBNQSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883428301 645822231 /nfs/dbraw/zinc/82/22/31/645822231.db2.gz QPDJGLDBCKYAGH-GVDBMIGSSA-N 2 0 274.408 2.577 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883428142 645822257 /nfs/dbraw/zinc/82/22/57/645822257.db2.gz MQOIWDLLOFLZPX-KZNAEPCWSA-N 2 0 288.435 2.968 20 0 CFADRP CC1(C)CCC[C@H](CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)O1 ZINC000883428377 645822583 /nfs/dbraw/zinc/82/25/83/645822583.db2.gz SCHLIXFRNOLXFJ-IXDOHACOSA-N 2 0 288.435 2.761 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)O1 ZINC000883428724 645822705 /nfs/dbraw/zinc/82/27/05/645822705.db2.gz BGRAXZKDCCDUNF-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1[NH3+] ZINC000883430229 645823234 /nfs/dbraw/zinc/82/32/34/645823234.db2.gz PUIFZLQDCPSUDB-XBVQOTNRSA-N 2 0 274.408 2.576 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CCC3)O1)CC[NH2+]CC2 ZINC000883433880 645828462 /nfs/dbraw/zinc/82/84/62/645828462.db2.gz AWAUGKKVDGNHKI-CABCVRRESA-N 2 0 278.440 2.552 20 0 CFADRP CC1(C)CC[NH2+]CC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883439510 645832746 /nfs/dbraw/zinc/83/27/46/645832746.db2.gz SZPOCZUBRZJJDZ-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000883439552 645833154 /nfs/dbraw/zinc/83/31/54/645833154.db2.gz UTFFOCRTLXSICV-GDBMZVCRSA-N 2 0 280.456 2.785 20 0 CFADRP c1ccc([C@@H]2CSCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000883460974 645843391 /nfs/dbraw/zinc/84/33/91/645843391.db2.gz LOKKNKMCQNEPEI-HOCLYGCPSA-N 2 0 276.449 2.776 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000883461235 645843623 /nfs/dbraw/zinc/84/36/23/645843623.db2.gz QGSKBRGZXPIDLJ-HNNXBMFYSA-N 2 0 264.438 2.776 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000883460870 645843637 /nfs/dbraw/zinc/84/36/37/645843637.db2.gz IPQWUVAEODDALE-UHFFFAOYSA-N 2 0 268.351 2.842 20 0 CFADRP [NH3+]CCCCCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000883462787 645845011 /nfs/dbraw/zinc/84/50/11/645845011.db2.gz ZUDGWIPIKMSVEZ-KRWDZBQOSA-N 2 0 287.451 2.990 20 0 CFADRP C(C[N@@H+]1CCCC[C@H](C2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000883462590 645845198 /nfs/dbraw/zinc/84/51/98/645845198.db2.gz UYSNHIHRMFGXMF-AEFFLSMTSA-N 2 0 294.483 2.905 20 0 CFADRP c1ccc2c(c1)C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCN21 ZINC000883462310 645845724 /nfs/dbraw/zinc/84/57/24/645845724.db2.gz ODMTUFIENPRMMT-GOSISDBHSA-N 2 0 299.462 2.861 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000883464489 645846195 /nfs/dbraw/zinc/84/61/95/645846195.db2.gz OGNRUHVELQVFDK-CZUORRHYSA-N 2 0 273.424 2.911 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000132140603 645882044 /nfs/dbraw/zinc/88/20/44/645882044.db2.gz WWPSUPGFWSQHDO-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c(C)c1 ZINC000925481926 645993225 /nfs/dbraw/zinc/99/32/25/645993225.db2.gz OYSQUUBBYSYGCP-HZPDHXFCSA-N 2 0 258.409 2.705 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000800171345 646168000 /nfs/dbraw/zinc/16/80/00/646168000.db2.gz GCPINMWEMRPEMX-ZNMIVQPWSA-N 2 0 284.444 2.523 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCS1 ZINC000134093192 646281249 /nfs/dbraw/zinc/28/12/49/646281249.db2.gz JYDSVARAXYVDHU-LXTVHRRPSA-N 2 0 268.470 2.782 20 0 CFADRP CC[NH+]1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885901941 646764475 /nfs/dbraw/zinc/76/44/75/646764475.db2.gz WYXVSHYRVRWCRB-GQCTYLIASA-N 2 0 262.372 2.913 20 0 CFADRP Cc1coc(CNCc2ccc(-n3ccnc3C)nc2)c1 ZINC000885929066 646771120 /nfs/dbraw/zinc/77/11/20/646771120.db2.gz JKVPMDLZRKBCKV-UHFFFAOYSA-N 2 0 282.347 2.767 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885975308 646792089 /nfs/dbraw/zinc/79/20/89/646792089.db2.gz PPWGNZAYQIJJCB-BYPUDFOVSA-N 2 0 262.372 2.770 20 0 CFADRP C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886018571 646820989 /nfs/dbraw/zinc/82/09/89/646820989.db2.gz CUBUEVDNMDUQRJ-OIISXLGYSA-N 2 0 262.441 2.840 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@H]1CCC2(CCC2)CO1 ZINC000886019351 646821093 /nfs/dbraw/zinc/82/10/93/646821093.db2.gz RQBBWWMFWGAUCL-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886030131 646828125 /nfs/dbraw/zinc/82/81/25/646828125.db2.gz GWQCSLSELZTVIN-UAGQMJEPSA-N 2 0 280.456 2.608 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000886138208 646889923 /nfs/dbraw/zinc/88/99/23/646889923.db2.gz DMPLMNFBQULQAN-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886305919 646960739 /nfs/dbraw/zinc/96/07/39/646960739.db2.gz UIPAZYOACMADKP-IRXDYDNUSA-N 2 0 292.467 2.753 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886305917 646960848 /nfs/dbraw/zinc/96/08/48/646960848.db2.gz UIPAZYOACMADKP-DLBZAZTESA-N 2 0 292.467 2.753 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886314452 646965598 /nfs/dbraw/zinc/96/55/98/646965598.db2.gz YPTCTQZCVMDYOO-WMZOPIPTSA-N 2 0 292.467 2.753 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886314449 646966141 /nfs/dbraw/zinc/96/61/41/646966141.db2.gz YPTCTQZCVMDYOO-AEFFLSMTSA-N 2 0 292.467 2.753 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1C[C@@]12CCOC2 ZINC000886319447 646968043 /nfs/dbraw/zinc/96/80/43/646968043.db2.gz FDBDNPXQBNVCAP-IAGOWNOFSA-N 2 0 280.456 2.611 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886491772 647018112 /nfs/dbraw/zinc/01/81/12/647018112.db2.gz QKSKEAOVRAIXOI-LXPRWKDFSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886503027 647021935 /nfs/dbraw/zinc/02/19/35/647021935.db2.gz YKVTYJPFFJPPGL-KLAILNCOSA-N 2 0 290.455 2.658 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000886533286 647033186 /nfs/dbraw/zinc/03/31/86/647033186.db2.gz YGTKVJGHUYALKV-XNIRIUNOSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886543930 647041424 /nfs/dbraw/zinc/04/14/24/647041424.db2.gz YBTWXKYSYBSSQS-KBAYOESNSA-N 2 0 290.451 2.771 20 0 CFADRP CCOC1CC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886596977 647060318 /nfs/dbraw/zinc/06/03/18/647060318.db2.gz SPSFHALQRBZESR-UHFFFAOYSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000886599265 647061289 /nfs/dbraw/zinc/06/12/89/647061289.db2.gz VDRFWVPAFUISCK-KZYLPZIUSA-N 2 0 280.456 2.534 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCOCC(F)F)CC1 ZINC000886598898 647061294 /nfs/dbraw/zinc/06/12/94/647061294.db2.gz MHHKIYWUKQYVLM-UHFFFAOYSA-N 2 0 290.398 2.655 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886608823 647065345 /nfs/dbraw/zinc/06/53/45/647065345.db2.gz GJKSEQAIXKKFAP-GTPINHCMSA-N 2 0 282.472 2.638 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886612215 647066724 /nfs/dbraw/zinc/06/67/24/647066724.db2.gz FXHGFGAEJQGEBT-WXLSXGNJSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](CCO)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886616100 647068738 /nfs/dbraw/zinc/06/87/38/647068738.db2.gz UYZFTNVNRXLZSU-GTPINHCMSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H](C)O ZINC000886620531 647072391 /nfs/dbraw/zinc/07/23/91/647072391.db2.gz MKMNTNJZQDABTH-YHNBSYBMSA-N 2 0 268.445 2.533 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886623915 647074280 /nfs/dbraw/zinc/07/42/80/647074280.db2.gz SPSFHALQRBZESR-HPZPOOBXSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccnn1C ZINC000886648465 647087233 /nfs/dbraw/zinc/08/72/33/647087233.db2.gz UOQJQOSSIQMYKR-HPUBIQBYSA-N 2 0 290.455 2.868 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000886694638 647114867 /nfs/dbraw/zinc/11/48/67/647114867.db2.gz ZZTVVTDQIWVLEG-QWEMONOLSA-N 2 0 262.441 2.741 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000886693719 647115100 /nfs/dbraw/zinc/11/51/00/647115100.db2.gz GZQZHGZQNXQNTP-CMXYNOPPSA-N 2 0 250.430 2.598 20 0 CFADRP CC[NH+](CC)CCCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716210 647120309 /nfs/dbraw/zinc/12/03/09/647120309.db2.gz RLSKGDJASJVUEJ-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CC2(COC)CCC2)CC1 ZINC000886717674 647120726 /nfs/dbraw/zinc/12/07/26/647120726.db2.gz GDZXLKGTNUZCTK-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000886717767 647120773 /nfs/dbraw/zinc/12/07/73/647120773.db2.gz IBEBAZHRKCOFEF-UHFFFAOYSA-N 2 0 272.383 2.982 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000886718253 647121363 /nfs/dbraw/zinc/12/13/63/647121363.db2.gz UZMYWZBMZHKQOC-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839476 647159671 /nfs/dbraw/zinc/15/96/71/647159671.db2.gz FOCJWACLOXAYMH-WCXIOVBPSA-N 2 0 262.441 2.887 20 0 CFADRP FC1(F)CC[C@@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886874194 647165555 /nfs/dbraw/zinc/16/55/55/647165555.db2.gz INPNJAMNHHQMGP-KGLIPLIRSA-N 2 0 272.383 2.887 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874903 647165987 /nfs/dbraw/zinc/16/59/87/647165987.db2.gz ZUWQLDGBEURHHC-QGZVFWFLSA-N 2 0 296.455 2.576 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)c(C)c1)C[C@@H]1CCC[NH2+]C1 ZINC000886880735 647166602 /nfs/dbraw/zinc/16/66/02/647166602.db2.gz AWIMNUBKQKAWOO-GOSISDBHSA-N 2 0 290.451 2.751 20 0 CFADRP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(C)n1 ZINC000887134477 647223171 /nfs/dbraw/zinc/22/31/71/647223171.db2.gz KHIXNTWRDACJLG-HNNXBMFYSA-N 2 0 296.418 2.804 20 0 CFADRP CC(C)SCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134251 647223712 /nfs/dbraw/zinc/22/37/12/647223712.db2.gz GESSTYMFIJDWIN-AWEZNQCLSA-N 2 0 279.453 2.734 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000887134194 647223995 /nfs/dbraw/zinc/22/39/95/647223995.db2.gz FBDZDVKEDBNTNK-GOEBONIOSA-N 2 0 289.423 2.550 20 0 CFADRP C=C/C=C\CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136331 647225056 /nfs/dbraw/zinc/22/50/56/647225056.db2.gz QEKXFKAVOJMGAM-XVWMLYKFSA-N 2 0 257.381 2.724 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000104132758 647549056 /nfs/dbraw/zinc/54/90/56/647549056.db2.gz PIXIAVJIHKYOPN-RYUDHWBXSA-N 2 0 250.361 2.946 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925495912 647867183 /nfs/dbraw/zinc/86/71/83/647867183.db2.gz SRUOXTNREZIIOF-LTIDMASMSA-N 2 0 288.435 2.740 20 0 CFADRP CN(CCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925495938 647867668 /nfs/dbraw/zinc/86/76/68/647867668.db2.gz SUNUXWASNGDCTQ-DLBZAZTESA-N 2 0 287.451 2.763 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925496092 647869745 /nfs/dbraw/zinc/86/97/45/647869745.db2.gz XFNBCQMQFQGROR-KGLIPLIRSA-N 2 0 262.397 2.691 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000930310054 647896788 /nfs/dbraw/zinc/89/67/88/647896788.db2.gz REZAGOKIJPIUSE-FVQHAEBGSA-N 2 0 294.483 2.998 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924524510 647986591 /nfs/dbraw/zinc/98/65/91/647986591.db2.gz CBEAWOBNKQTVMH-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924526955 647987271 /nfs/dbraw/zinc/98/72/71/647987271.db2.gz IPSKSEHQLXNDJC-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924583299 648000878 /nfs/dbraw/zinc/00/08/78/648000878.db2.gz RPQNGXMPSLATOQ-MSOLQXFVSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1ccnn1C1CCC1 ZINC000924617484 648009259 /nfs/dbraw/zinc/00/92/59/648009259.db2.gz ONKSBJOESDWNLE-AWEZNQCLSA-N 2 0 278.444 2.989 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924627482 648011838 /nfs/dbraw/zinc/01/18/38/648011838.db2.gz BGOFODNHJPAUOV-SJORKVTESA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)N(C)C ZINC000924629982 648012473 /nfs/dbraw/zinc/01/24/73/648012473.db2.gz UXWOHXDIELHGNA-SJORKVTESA-N 2 0 282.472 2.758 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000924657449 648020552 /nfs/dbraw/zinc/02/05/52/648020552.db2.gz CWVLEWMTYMOZCZ-KRWDZBQOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@@H]1C ZINC000924681574 648025531 /nfs/dbraw/zinc/02/55/31/648025531.db2.gz PFNVUTBDVQVXEQ-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)CO1 ZINC000924683120 648025596 /nfs/dbraw/zinc/02/55/96/648025596.db2.gz FFTWTAHEOQYBPA-VBWXLCSBSA-N 2 0 294.483 2.902 20 0 CFADRP COc1cccc(CC[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000924681799 648025623 /nfs/dbraw/zinc/02/56/23/648025623.db2.gz AJYYABDKKLNSEN-ZWKOTPCHSA-N 2 0 288.435 2.844 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000924687725 648027518 /nfs/dbraw/zinc/02/75/18/648027518.db2.gz OYISNZJHJCIDAA-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP C1C[C@H]2C[C@H]([NH2+][C@H]3CCOC34CCCCC4)CC[N@@H+]2C1 ZINC000924695445 648028508 /nfs/dbraw/zinc/02/85/08/648028508.db2.gz KKAYSOYRZCXUSE-PMPSAXMXSA-N 2 0 278.440 2.695 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924711234 648032882 /nfs/dbraw/zinc/03/28/82/648032882.db2.gz GJVVMNRWZKANOQ-SJLPKXTDSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924716655 648034553 /nfs/dbraw/zinc/03/45/53/648034553.db2.gz JCBHCAJEQBQSCH-KSSFIOAISA-N 2 0 289.467 2.739 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1cc[nH]c(=O)c1)C[NH+]1CCCCC1 ZINC000924722858 648035523 /nfs/dbraw/zinc/03/55/23/648035523.db2.gz VEDBEXAGPWJLFG-ZIAGYGMSSA-N 2 0 277.412 2.560 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cc[nH]c(=O)c1 ZINC000924722855 648035745 /nfs/dbraw/zinc/03/57/45/648035745.db2.gz VEDBEXAGPWJLFG-UONOGXRCSA-N 2 0 277.412 2.560 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)C[C@@](C)(O)CC)C1 ZINC000924754599 648042211 /nfs/dbraw/zinc/04/22/11/648042211.db2.gz UKHVZWRAHRUQLQ-OAGGEKHMSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000924761013 648043843 /nfs/dbraw/zinc/04/38/43/648043843.db2.gz NGTAGWGTPDBLRT-RRQGHBQHSA-N 2 0 276.424 2.702 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000924929379 648073547 /nfs/dbraw/zinc/07/35/47/648073547.db2.gz FRLZUZBFBDFXMP-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C[C@H](CN(C)C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924951720 648077686 /nfs/dbraw/zinc/07/76/86/648077686.db2.gz SCBUUFAUJCDTKO-HPUBIQBYSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(OC)n1 ZINC000924953507 648077851 /nfs/dbraw/zinc/07/78/51/648077851.db2.gz CHVHNPPANICIOT-HNNXBMFYSA-N 2 0 291.439 2.863 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924955629 648078671 /nfs/dbraw/zinc/07/86/71/648078671.db2.gz PSZGVHHJFNDROP-QZTJIDSGSA-N 2 0 293.499 2.715 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000924955738 648078798 /nfs/dbraw/zinc/07/87/98/648078798.db2.gz SYIAYNMPEQNUHE-DLBZAZTESA-N 2 0 282.472 2.639 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924962792 648081059 /nfs/dbraw/zinc/08/10/59/648081059.db2.gz GPACUBOCXNWPIA-AEFFLSMTSA-N 2 0 287.451 2.724 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CCc3c2nccc3Cl)CC[N@@H+]1C ZINC000925144064 648115856 /nfs/dbraw/zinc/11/58/56/648115856.db2.gz SOYIVZCORWHOLR-GYSYKLTISA-N 2 0 279.815 2.795 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000925213877 648133198 /nfs/dbraw/zinc/13/31/98/648133198.db2.gz CIXQANZLPNXYKS-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000925213878 648133742 /nfs/dbraw/zinc/13/37/42/648133742.db2.gz CIXQANZLPNXYKS-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000925267413 648146992 /nfs/dbraw/zinc/14/69/92/648146992.db2.gz HSKUUSNZDNNYBU-QAPCUYQASA-N 2 0 293.499 2.569 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925442327 648169814 /nfs/dbraw/zinc/16/98/14/648169814.db2.gz IBSVJOGYLVYFDV-FUHWJXTLSA-N 2 0 287.451 2.859 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1 ZINC000925477834 648179090 /nfs/dbraw/zinc/17/90/90/648179090.db2.gz NCYDWMTXORCUEP-MSOLQXFVSA-N 2 0 290.451 2.997 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1 ZINC000925477835 648179436 /nfs/dbraw/zinc/17/94/36/648179436.db2.gz NCYDWMTXORCUEP-QZTJIDSGSA-N 2 0 290.451 2.997 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925492442 648182460 /nfs/dbraw/zinc/18/24/60/648182460.db2.gz ISNLHQDPVCQIOE-BYCMXARLSA-N 2 0 262.372 2.789 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@H]2CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925498078 648184558 /nfs/dbraw/zinc/18/45/58/648184558.db2.gz BXGLEHUQYKULNK-ZWKOTPCHSA-N 2 0 299.462 2.525 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925502866 648186809 /nfs/dbraw/zinc/18/68/09/648186809.db2.gz JDHKCFVLBDDHIL-HZPDHXFCSA-N 2 0 258.409 2.651 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925503959 648188123 /nfs/dbraw/zinc/18/81/23/648188123.db2.gz OIZXLEJIGKDYEM-XUWVNRHRSA-N 2 0 293.499 2.602 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505043 648188830 /nfs/dbraw/zinc/18/88/30/648188830.db2.gz PJSVELUWFUGUAT-MGPQQGTHSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000925507494 648189457 /nfs/dbraw/zinc/18/94/57/648189457.db2.gz CBIQRAGWVWHIPX-WBVHZDCISA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccc(F)c1 ZINC000925507043 648189666 /nfs/dbraw/zinc/18/96/66/648189666.db2.gz YTOFPKKFCFSBSG-NCZBFZFDSA-N 2 0 288.410 2.689 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(C)C ZINC000925509960 648191533 /nfs/dbraw/zinc/19/15/33/648191533.db2.gz QRMCUFTZGUCSAE-QZTJIDSGSA-N 2 0 295.515 2.863 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511653 648191680 /nfs/dbraw/zinc/19/16/80/648191680.db2.gz RCVSHYXCLBWDEA-GDBMZVCRSA-N 2 0 281.488 2.747 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925510685 648191724 /nfs/dbraw/zinc/19/17/24/648191724.db2.gz ZWCFQDBIQJZQKW-GDLCADMTSA-N 2 0 279.428 2.718 20 0 CFADRP C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925518099 648195152 /nfs/dbraw/zinc/19/51/52/648195152.db2.gz DDGSCQDUPLPWIC-LAPQFRIASA-N 2 0 296.480 2.556 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925520362 648196046 /nfs/dbraw/zinc/19/60/46/648196046.db2.gz RRXYKPGTMZQMSK-NVXWUHKLSA-N 2 0 275.440 2.541 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)C12CCC2 ZINC000925520437 648197105 /nfs/dbraw/zinc/19/71/05/648197105.db2.gz VQBOYOKEFYWDEI-UAGQMJEPSA-N 2 0 270.420 2.966 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925525688 648200215 /nfs/dbraw/zinc/20/02/15/648200215.db2.gz DQECVDINSNNVIM-ZIAGYGMSSA-N 2 0 270.461 2.671 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccsc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925526005 648200593 /nfs/dbraw/zinc/20/05/93/648200593.db2.gz FJCHOHIFRYBIEX-HZSPNIEDSA-N 2 0 264.438 2.657 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925527860 648201051 /nfs/dbraw/zinc/20/10/51/648201051.db2.gz RULMPYUBHDNCHS-KKUMJFAQSA-N 2 0 270.461 2.527 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925531144 648203616 /nfs/dbraw/zinc/20/36/16/648203616.db2.gz XOJXLRZIQOTIMP-OAGGEKHMSA-N 2 0 280.456 2.831 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1nccs1)c1ccccc1 ZINC000925534801 648204215 /nfs/dbraw/zinc/20/42/15/648204215.db2.gz PPTFEFITMNAMCP-CQSZACIVSA-N 2 0 275.421 2.755 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)C12CCC2 ZINC000925533547 648204700 /nfs/dbraw/zinc/20/47/00/648204700.db2.gz NNDUWRGXLMWJMA-HUUCEWRRSA-N 2 0 256.393 2.578 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925544610 648210530 /nfs/dbraw/zinc/21/05/30/648210530.db2.gz BUIUEYUMRMIAAG-CRAIPNDOSA-N 2 0 289.467 2.757 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)c1ccsc1 ZINC000925547421 648211718 /nfs/dbraw/zinc/21/17/18/648211718.db2.gz UZJRUJOEYUNMSU-VNQPRFMTSA-N 2 0 295.496 2.861 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)C1 ZINC000925547223 648211784 /nfs/dbraw/zinc/21/17/84/648211784.db2.gz ARBFJCYNWGXOKQ-BZUAXINKSA-N 2 0 287.451 2.761 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)s1 ZINC000925554762 648214517 /nfs/dbraw/zinc/21/45/17/648214517.db2.gz AUANAUOQHKZAKQ-OLZOCXBDSA-N 2 0 281.469 2.798 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000925555310 648214672 /nfs/dbraw/zinc/21/46/72/648214672.db2.gz GNCNPOCHSNXHMY-BRWVUGGUSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000925559748 648216393 /nfs/dbraw/zinc/21/63/93/648216393.db2.gz JQWBVJCVYQNLGX-QJESEZNXSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925560490 648217298 /nfs/dbraw/zinc/21/72/98/648217298.db2.gz YDKOJQDPDBYJCH-BBWFWOEESA-N 2 0 293.499 2.619 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C12CCC2 ZINC000925561505 648217874 /nfs/dbraw/zinc/21/78/74/648217874.db2.gz JYWITTXPCSCMCO-HUUCEWRRSA-N 2 0 274.383 2.717 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCCC1 ZINC000925567483 648220649 /nfs/dbraw/zinc/22/06/49/648220649.db2.gz KOJSORUSJSPBKZ-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925576928 648224566 /nfs/dbraw/zinc/22/45/66/648224566.db2.gz ZEMYMZDRWWVCMP-MSOLQXFVSA-N 2 0 289.467 2.931 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCOc2cccc(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925583086 648227418 /nfs/dbraw/zinc/22/74/18/648227418.db2.gz DFOVJASYUOJXBN-PMPSAXMXSA-N 2 0 292.398 2.571 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925606065 648237203 /nfs/dbraw/zinc/23/72/03/648237203.db2.gz LJKGESIVKVWTNA-KRWDZBQOSA-N 3 0 277.456 2.787 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000925608848 648237383 /nfs/dbraw/zinc/23/73/83/648237383.db2.gz KRXKNZMSXQQKRU-INIZCTEOSA-N 3 0 281.488 2.763 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000925608849 648238122 /nfs/dbraw/zinc/23/81/22/648238122.db2.gz KRXKNZMSXQQKRU-MRXNPFEDSA-N 3 0 281.488 2.763 20 0 CFADRP C[C@H]1NCCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000925610167 648238777 /nfs/dbraw/zinc/23/87/77/648238777.db2.gz ZEMGHEKSOCEILW-IAGOWNOFSA-N 2 0 281.488 2.763 20 0 CFADRP CCC(O)(CC)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925616447 648241020 /nfs/dbraw/zinc/24/10/20/648241020.db2.gz MNNXOVGEPKHRBO-OAHLLOKOSA-N 2 0 264.413 2.607 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925620333 648242384 /nfs/dbraw/zinc/24/23/84/648242384.db2.gz ULJMHLJZKBEBKU-SJORKVTESA-N 2 0 296.418 2.540 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)c1cccc(F)c1 ZINC000925621292 648243814 /nfs/dbraw/zinc/24/38/14/648243814.db2.gz ZXCRXXAUVPDGOP-SRMUXQRQSA-N 2 0 294.414 2.743 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925621792 648244363 /nfs/dbraw/zinc/24/43/63/648244363.db2.gz GKUDRJNIWRFQCO-MRXNPFEDSA-N 2 0 278.440 2.855 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925622673 648244844 /nfs/dbraw/zinc/24/48/44/648244844.db2.gz MIQTXOPYQVSUGU-WBTNSWJXSA-N 2 0 282.472 2.540 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCC2Cc3ccccc3C2)C12CCC2 ZINC000925626854 648246704 /nfs/dbraw/zinc/24/67/04/648246704.db2.gz UBVRGUORUPRWSG-DLBZAZTESA-N 2 0 270.420 2.651 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925629583 648248640 /nfs/dbraw/zinc/24/86/40/648248640.db2.gz KIJFHRISACATCU-KSYCFECVSA-N 2 0 292.398 2.761 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000925629650 648249019 /nfs/dbraw/zinc/24/90/19/648249019.db2.gz LPARQHJEWPVQPE-MRXNPFEDSA-N 2 0 270.420 2.666 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925636665 648254788 /nfs/dbraw/zinc/25/47/88/648254788.db2.gz ZQVWPVLEQXEYDJ-YIYPIFLZSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925636523 648254803 /nfs/dbraw/zinc/25/48/03/648254803.db2.gz CKNIHYZRKGMBCU-KBXIAJHMSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000925641256 648256761 /nfs/dbraw/zinc/25/67/61/648256761.db2.gz LPILINUCJYJAFP-USXIJHARSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000925643553 648258067 /nfs/dbraw/zinc/25/80/67/648258067.db2.gz WRANSTZEEUNCQN-LLLHUVSDSA-N 2 0 287.451 2.537 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCCCC1 ZINC000925643246 648258172 /nfs/dbraw/zinc/25/81/72/648258172.db2.gz JMRTZFAKNBPFJR-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925645281 648259629 /nfs/dbraw/zinc/25/96/29/648259629.db2.gz PFGGVZCQYIZJHD-SLBVQIDZSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C12CCC2 ZINC000925647652 648260123 /nfs/dbraw/zinc/26/01/23/648260123.db2.gz ZWBOWPAXFHDHGG-LSDHHAIUSA-N 2 0 256.393 2.621 20 0 CFADRP FC1(F)CC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925653723 648263723 /nfs/dbraw/zinc/26/37/23/648263723.db2.gz ZBHAOYYATUSOSJ-QWHCGFSZSA-N 2 0 258.356 2.542 20 0 CFADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925655103 648263626 /nfs/dbraw/zinc/26/36/26/648263626.db2.gz PSODZVNHEYGDBV-IRXDYDNUSA-N 2 0 291.483 2.658 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCCC1 ZINC000925656014 648265259 /nfs/dbraw/zinc/26/52/59/648265259.db2.gz CYPQYSCHLWLVQM-HPFXQQBRSA-N 2 0 294.483 2.684 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925661377 648268315 /nfs/dbraw/zinc/26/83/15/648268315.db2.gz CTDOBYKLYCAZOS-HOTGVXAUSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000925662475 648268700 /nfs/dbraw/zinc/26/87/00/648268700.db2.gz IVBYHLIQXOWKTO-AGERRDQYSA-N 2 0 287.451 2.681 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925669771 648272544 /nfs/dbraw/zinc/27/25/44/648272544.db2.gz XMELHLCDJRWHHR-CVEARBPZSA-N 2 0 282.472 2.807 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925680979 648277200 /nfs/dbraw/zinc/27/72/00/648277200.db2.gz SBVFSYWBWWIZRB-CHWSQXEVSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000925684120 648278026 /nfs/dbraw/zinc/27/80/26/648278026.db2.gz ZZNFUGSEVYYZCS-IJLUTSLNSA-N 2 0 260.372 2.917 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925688696 648281423 /nfs/dbraw/zinc/28/14/23/648281423.db2.gz GYPNRIVCCNJZMH-HUUCEWRRSA-N 2 0 262.372 2.536 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925691252 648281479 /nfs/dbraw/zinc/28/14/79/648281479.db2.gz NRDQHAQLJOTWAL-HJWJTTGWSA-N 2 0 286.419 2.658 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccnc1 ZINC000925692655 648282831 /nfs/dbraw/zinc/28/28/31/648282831.db2.gz ORNNCQNYVYVMJZ-HUUCEWRRSA-N 2 0 275.440 2.855 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1(O)CCCC1 ZINC000925695919 648283384 /nfs/dbraw/zinc/28/33/84/648283384.db2.gz YMSDAPUPSCTJEK-KGLIPLIRSA-N 2 0 282.472 2.813 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[C@H](C)O1 ZINC000925695563 648284148 /nfs/dbraw/zinc/28/41/48/648284148.db2.gz IBRIXFIWDIHHHC-PEHHYFEISA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCCc3cc(N)ccc31)[NH2+]2 ZINC000925700787 648285628 /nfs/dbraw/zinc/28/56/28/648285628.db2.gz WLPPCYYCBJJVGR-IIIYPXSQSA-N 2 0 285.435 2.765 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CN2 ZINC000925704552 648287314 /nfs/dbraw/zinc/28/73/14/648287314.db2.gz YJDBUQHDNWXYGK-LNLFQRSKSA-N 2 0 299.462 2.781 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CC12CCSCC2 ZINC000925710588 648290482 /nfs/dbraw/zinc/29/04/82/648290482.db2.gz XCUYPQVWFJDLHP-KBPBESRZSA-N 2 0 280.481 2.784 20 0 CFADRP C[C@H]([NH3+])[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000925710360 648290515 /nfs/dbraw/zinc/29/05/15/648290515.db2.gz WUZZDZPZOXIDPI-CWRNSKLLSA-N 2 0 275.440 2.537 20 0 CFADRP C[C@@]1(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(F)F ZINC000925709861 648290536 /nfs/dbraw/zinc/29/05/36/648290536.db2.gz OXXVUPUFXZGYTF-GFQSEFKGSA-N 2 0 272.383 2.788 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925715458 648294324 /nfs/dbraw/zinc/29/43/24/648294324.db2.gz DNBYWUYAAXGKOX-STQMWFEESA-N 2 0 280.387 2.830 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000925715821 648294666 /nfs/dbraw/zinc/29/46/66/648294666.db2.gz HXJXOOADIHANEH-DLBZAZTESA-N 3 0 293.499 2.604 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)C12CCC2 ZINC000925715769 648295200 /nfs/dbraw/zinc/29/52/00/648295200.db2.gz MAEDTAIHHFVGAK-CABCVRRESA-N 2 0 287.432 2.698 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1CC1(F)F ZINC000925719649 648296497 /nfs/dbraw/zinc/29/64/97/648296497.db2.gz BFPOCAOYNOQOMY-HXFVIYLFSA-N 2 0 258.356 2.527 20 0 CFADRP CCC[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OCC ZINC000925722422 648297963 /nfs/dbraw/zinc/29/79/63/648297963.db2.gz IHWMSOAHWCHILK-XGUBFFRZSA-N 2 0 268.445 2.558 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OCC ZINC000925722420 648298190 /nfs/dbraw/zinc/29/81/90/648298190.db2.gz IHWMSOAHWCHILK-KBXIAJHMSA-N 2 0 268.445 2.558 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925725255 648298946 /nfs/dbraw/zinc/29/89/46/648298946.db2.gz IEPOCCIMNZIODK-WCZJQEMASA-N 2 0 299.462 2.952 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC(F)F ZINC000925732476 648302110 /nfs/dbraw/zinc/30/21/10/648302110.db2.gz BTRKIUDLEZXZRQ-GRYCIOLGSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cnccc1N ZINC000925733831 648302523 /nfs/dbraw/zinc/30/25/23/648302523.db2.gz LIODPCOLOBIGAY-VIFPVBQESA-N 2 0 255.312 2.580 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)C1 ZINC000925735093 648303609 /nfs/dbraw/zinc/30/36/09/648303609.db2.gz SNEZLDVFEMSEPD-RBSFLKMASA-N 2 0 280.456 2.689 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000925738332 648304095 /nfs/dbraw/zinc/30/40/95/648304095.db2.gz QKKZMHKHICHPPQ-CABCVRRESA-N 2 0 276.424 2.950 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1OC ZINC000925739301 648304701 /nfs/dbraw/zinc/30/47/01/648304701.db2.gz VBMKIMHHNUAVNT-GFCCVEGCSA-N 2 0 294.439 2.660 20 0 CFADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000925740711 648305371 /nfs/dbraw/zinc/30/53/71/648305371.db2.gz JYTQKPOXOFNSJN-ZDUSSCGKSA-N 2 0 280.412 2.872 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)n1 ZINC000925764048 648312213 /nfs/dbraw/zinc/31/22/13/648312213.db2.gz FXQHUVCHIZYQIZ-FPMFFAJLSA-N 2 0 279.815 2.521 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925768961 648313503 /nfs/dbraw/zinc/31/35/03/648313503.db2.gz MZPNTNKTWHCXNA-GUTXKFCHSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000925770610 648314922 /nfs/dbraw/zinc/31/49/22/648314922.db2.gz JJGNDJQGYHMGQL-RDJZCZTQSA-N 2 0 286.423 2.732 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)C[C@@H]([NH3+])C1 ZINC000925774287 648316880 /nfs/dbraw/zinc/31/68/80/648316880.db2.gz MCAHCVKOOKSAJU-ILXRZTDVSA-N 2 0 280.456 2.831 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000925783469 648322130 /nfs/dbraw/zinc/32/21/30/648322130.db2.gz OVJOCWRFKSXYQS-CVEARBPZSA-N 2 0 294.389 2.842 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925784244 648322402 /nfs/dbraw/zinc/32/24/02/648322402.db2.gz IHNYXCDHLSFPAZ-LTIDMASMSA-N 2 0 287.451 2.861 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1SC ZINC000925792150 648326013 /nfs/dbraw/zinc/32/60/13/648326013.db2.gz UMHLEYSNBXPOIG-BZPMIXESSA-N 2 0 294.464 2.923 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(-c2ccccc2)c1 ZINC000925801752 648327029 /nfs/dbraw/zinc/32/70/29/648327029.db2.gz WZXAYCQKHJWGIP-BZUAXINKSA-N 2 0 298.434 2.769 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799168 648327059 /nfs/dbraw/zinc/32/70/59/648327059.db2.gz MVFLFTRJQHYMPE-MCIONIFRSA-N 2 0 266.454 2.904 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000925799378 648327210 /nfs/dbraw/zinc/32/72/10/648327210.db2.gz UMRPZLVHUODPMQ-UNEWFSDZSA-N 2 0 290.476 2.852 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000925801104 648327447 /nfs/dbraw/zinc/32/74/47/648327447.db2.gz UCNNBFVGGOKGTG-HLLBOEOZSA-N 2 0 298.434 2.769 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802264 648328107 /nfs/dbraw/zinc/32/81/07/648328107.db2.gz ZWOXCFCRKBFGLS-JHJVBQTASA-N 2 0 252.427 2.514 20 0 CFADRP COC[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CC1 ZINC000925806216 648328929 /nfs/dbraw/zinc/32/89/29/648328929.db2.gz BNNRAQKHKYZPPR-MRXNPFEDSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805917 648329212 /nfs/dbraw/zinc/32/92/12/648329212.db2.gz WSAGQUKPRIVRQL-ZBFHGGJFSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H](C)O1 ZINC000925806379 648329292 /nfs/dbraw/zinc/32/92/92/648329292.db2.gz CNNXYMXCBDREKH-YCPHGPKFSA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H]2CCO[C@@H]21 ZINC000925809040 648329829 /nfs/dbraw/zinc/32/98/29/648329829.db2.gz QULJHYARVQFASL-BBWFWOEESA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925808597 648329930 /nfs/dbraw/zinc/32/99/30/648329930.db2.gz ZBVXUEDHNSJPSK-GDBMZVCRSA-N 2 0 273.424 2.568 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H]2CCO[C@H]21 ZINC000925809042 648330300 /nfs/dbraw/zinc/33/03/00/648330300.db2.gz QULJHYARVQFASL-BRWVUGGUSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2nccn2C1)c1ccnn1CC1CCC1 ZINC000925812110 648330892 /nfs/dbraw/zinc/33/08/92/648330892.db2.gz HBKCZVNSXGQCPF-HIFRSBDPSA-N 2 0 299.422 2.545 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925809376 648330912 /nfs/dbraw/zinc/33/09/12/648330912.db2.gz UJLVUYFKODQZGC-HOCLYGCPSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)CCO1 ZINC000925809113 648330996 /nfs/dbraw/zinc/33/09/96/648330996.db2.gz SHUBJSVJCJFPFD-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814293 648331965 /nfs/dbraw/zinc/33/19/65/648331965.db2.gz KEDIBANBEOHSFB-YOEHRIQHSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cc(N(C)C)cc[nH+]1 ZINC000925813338 648332252 /nfs/dbraw/zinc/33/22/52/648332252.db2.gz SLRBEERCODGJJD-CABCVRRESA-N 2 0 290.455 2.548 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925824772 648334393 /nfs/dbraw/zinc/33/43/93/648334393.db2.gz VSPKEEFSIVFVIP-MJXYYGLJSA-N 2 0 259.397 2.544 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@]12CCC[C@H]1OCC2 ZINC000925830100 648336722 /nfs/dbraw/zinc/33/67/22/648336722.db2.gz FMFLGLMGSSQWHB-UYTYNIKBSA-N 2 0 292.467 2.846 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925831727 648337539 /nfs/dbraw/zinc/33/75/39/648337539.db2.gz LYSQOPYQPDUNMY-KIJLLGNVSA-N 2 0 276.346 2.695 20 0 CFADRP c1ccc2ncc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000925835201 648338628 /nfs/dbraw/zinc/33/86/28/648338628.db2.gz NLDRAFBDOGJULJ-SJPCQFCGSA-N 2 0 281.403 2.650 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000925838042 648339422 /nfs/dbraw/zinc/33/94/22/648339422.db2.gz JPKVBJMWRDUHOQ-OWCLPIDISA-N 2 0 299.418 2.656 20 0 CFADRP c1ccc([C@@H]2C[C@@H](NC[C@]34CCC[C@H]3[NH2+]CC4)CC[NH2+]2)cc1 ZINC000925837265 648339522 /nfs/dbraw/zinc/33/95/22/648339522.db2.gz DKHTXTRUZIDPRX-INDMIFKZSA-N 2 0 299.462 2.602 20 0 CFADRP COc1ccccc1[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839717 648340407 /nfs/dbraw/zinc/34/04/07/648340407.db2.gz CPCSVJQOABQRIS-KBRIMQKVSA-N 2 0 274.408 2.878 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844187 648342103 /nfs/dbraw/zinc/34/21/03/648342103.db2.gz IVTCGCHILCDEFT-SJORKVTESA-N 2 0 281.488 2.620 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925862266 648347737 /nfs/dbraw/zinc/34/77/37/648347737.db2.gz ZKBPDVUDGJYDNY-GMRIPVOYSA-N 3 0 279.472 2.643 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000925877181 648353303 /nfs/dbraw/zinc/35/33/03/648353303.db2.gz NQRJCDHTQWSATQ-BYCMXARLSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925879595 648353735 /nfs/dbraw/zinc/35/37/35/648353735.db2.gz AENUCQLZEYERQJ-RHSMWYFYSA-N 2 0 276.424 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)nc1 ZINC000925882292 648354393 /nfs/dbraw/zinc/35/43/93/648354393.db2.gz KERHWOBESGDZHX-UMNHJUIQSA-N 2 0 253.777 2.513 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925883059 648354397 /nfs/dbraw/zinc/35/43/97/648354397.db2.gz SWDZEBKRODIHNZ-BARDWOONSA-N 2 0 268.445 2.543 20 0 CFADRP CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nccn1C ZINC000925886172 648356256 /nfs/dbraw/zinc/35/62/56/648356256.db2.gz COOFTLCMLDHKEM-NUJGCVRESA-N 2 0 298.434 2.520 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cn2c(n1)CCCC2 ZINC000926113933 648408151 /nfs/dbraw/zinc/40/81/51/648408151.db2.gz JXEVXZDLRGIBEI-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP C[C@H](CCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000926142961 648415705 /nfs/dbraw/zinc/41/57/05/648415705.db2.gz MFTCHJSAOIKWCF-SQNIBIBYSA-N 2 0 293.499 2.857 20 0 CFADRP CC(C)OCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926153035 648418201 /nfs/dbraw/zinc/41/82/01/648418201.db2.gz BDESXPMZELDUMH-AWEZNQCLSA-N 2 0 264.413 2.824 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926169113 648423547 /nfs/dbraw/zinc/42/35/47/648423547.db2.gz YNOUCTYWMXOEFQ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926275832 648453478 /nfs/dbraw/zinc/45/34/78/648453478.db2.gz RAOHXWAQYKEPEN-HNNXBMFYSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1(Cl)CC1 ZINC000926274447 648453619 /nfs/dbraw/zinc/45/36/19/648453619.db2.gz HKSKABRJXHCMOA-LBPRGKRZSA-N 2 0 258.837 2.858 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CSC2(C)C)CC1 ZINC000926375101 648475032 /nfs/dbraw/zinc/47/50/32/648475032.db2.gz ISBBBBXKENKLMK-CQSZACIVSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]([NH2+]CC1=CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926427386 648484032 /nfs/dbraw/zinc/48/40/32/648484032.db2.gz ZGDZZGYPBRSBEY-AWEZNQCLSA-N 2 0 274.408 2.746 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)C[NH+](C)C ZINC000926469133 648499281 /nfs/dbraw/zinc/49/92/81/648499281.db2.gz FIEIUJHRVDCGJZ-VYDXJSESSA-N 2 0 275.440 2.580 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C1CC1 ZINC000926560627 648533959 /nfs/dbraw/zinc/53/39/59/648533959.db2.gz UCXZQDLLKGNEDU-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926560945 648534067 /nfs/dbraw/zinc/53/40/67/648534067.db2.gz UQDIARLTKSOGCT-CQSZACIVSA-N 2 0 277.412 2.824 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(O)cc(F)c1 ZINC000926573196 648538316 /nfs/dbraw/zinc/53/83/16/648538316.db2.gz JGSXJJMSUNNIIQ-QWHCGFSZSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnn(C2CCC2)c1 ZINC000926571707 648538577 /nfs/dbraw/zinc/53/85/77/648538577.db2.gz AOYVVONUZXPLSX-CABCVRRESA-N 2 0 290.455 2.991 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1(Cl)CC1 ZINC000926581080 648541373 /nfs/dbraw/zinc/54/13/73/648541373.db2.gz GLPDDAIUEWUSST-SNPRPXQTSA-N 2 0 293.842 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(C[NH+](C)C)c1 ZINC000926596166 648546872 /nfs/dbraw/zinc/54/68/72/648546872.db2.gz NQAQNTMRTBEZCN-YXJHDRRASA-N 2 0 290.451 2.950 20 0 CFADRP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926644783 648560467 /nfs/dbraw/zinc/56/04/67/648560467.db2.gz ORXVCYSEOHXEJR-DOTOQJQBSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C2CCC2)c1 ZINC000926665569 648566941 /nfs/dbraw/zinc/56/69/41/648566941.db2.gz HZVZIMOFMZMWCY-IOASZLSFSA-N 2 0 276.428 2.599 20 0 CFADRP C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926680970 648573507 /nfs/dbraw/zinc/57/35/07/648573507.db2.gz SXWGBWFYBPXZAE-CXAGYDPISA-N 2 0 276.424 2.560 20 0 CFADRP CC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926686638 648576402 /nfs/dbraw/zinc/57/64/02/648576402.db2.gz WWGKLPYQIGFKPT-WZYMTQMTSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000926713524 648586672 /nfs/dbraw/zinc/58/66/72/648586672.db2.gz XUAOQWFRSFHZJY-HONBEQNRSA-N 2 0 284.394 2.884 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926733619 648595178 /nfs/dbraw/zinc/59/51/78/648595178.db2.gz WDGFRXAMNMVCDJ-QZTJIDSGSA-N 2 0 294.483 2.759 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1(Cl)CC1 ZINC000926733630 648595752 /nfs/dbraw/zinc/59/57/52/648595752.db2.gz WENFHWSPCNLIGT-LBPRGKRZSA-N 2 0 270.848 2.858 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc[nH]c(=O)c1 ZINC000926739782 648597040 /nfs/dbraw/zinc/59/70/40/648597040.db2.gz ZCBSCVCMAMVTSM-ZFWWWQNUSA-N 2 0 289.423 2.560 20 0 CFADRP C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926766778 648607723 /nfs/dbraw/zinc/60/77/23/648607723.db2.gz DZRPEIFOUCACIZ-MORSLUCNSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926766779 648607809 /nfs/dbraw/zinc/60/78/09/648607809.db2.gz DZRPEIFOUCACIZ-VHSSKADRSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926783149 648614254 /nfs/dbraw/zinc/61/42/54/648614254.db2.gz PFHSNZOHFGHDSO-OEUWWYETSA-N 2 0 276.424 2.965 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000926791630 648617888 /nfs/dbraw/zinc/61/78/88/648617888.db2.gz SWVGYOPUEJVURU-CQSZACIVSA-N 2 0 276.428 2.638 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000927013220 648682649 /nfs/dbraw/zinc/68/26/49/648682649.db2.gz CTQWYWCHTWIUCU-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCC2(CCC2)O1 ZINC000927018196 648684220 /nfs/dbraw/zinc/68/42/20/648684220.db2.gz OSKAKOXBYPNNIJ-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038366 648689603 /nfs/dbraw/zinc/68/96/03/648689603.db2.gz PWSSXDVDMCRLIK-NPCAHTBFSA-N 2 0 266.429 2.551 20 0 CFADRP COCCC[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037253 648689760 /nfs/dbraw/zinc/68/97/60/648689760.db2.gz IQLWUIYBUIGIEO-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C)[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H]2CCO[C@@H]21 ZINC000927040702 648690358 /nfs/dbraw/zinc/69/03/58/648690358.db2.gz ZVUFXXUWIQCRSG-BFKWJSRZSA-N 2 0 292.467 2.797 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H]2CCO[C@H]21 ZINC000927040269 648690386 /nfs/dbraw/zinc/69/03/86/648690386.db2.gz ZVUFXXUWIQCRSG-HNCZQISISA-N 2 0 292.467 2.797 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCCO1 ZINC000927040610 648690619 /nfs/dbraw/zinc/69/06/19/648690619.db2.gz ZEJTZXJPZOGWNR-ORBLRFAASA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@H]2CCC[C@@H]21 ZINC000927089471 648706817 /nfs/dbraw/zinc/70/68/17/648706817.db2.gz BKPCPDRCUGXVKC-IKGGRYGDSA-N 2 0 286.419 2.584 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000927099039 648711096 /nfs/dbraw/zinc/71/10/96/648711096.db2.gz MBYRIJBHTLBFMH-PEUVFPKISA-N 2 0 280.456 2.510 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@@H](C)C1 ZINC000927120617 648719227 /nfs/dbraw/zinc/71/92/27/648719227.db2.gz VRXXLRDRJHXLPS-MHORFTMASA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)[C@@H]2CCC[C@@H]21 ZINC000927131598 648723529 /nfs/dbraw/zinc/72/35/29/648723529.db2.gz XPGUMWWRXZFRRY-QAETUUGQSA-N 2 0 292.467 2.941 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C/C=C(/C)COC)CC1 ZINC000929278392 649021716 /nfs/dbraw/zinc/02/17/16/649021716.db2.gz XUDAIGCUZUCOQX-CHHVJCJISA-N 2 0 268.445 2.633 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000929656414 649087963 /nfs/dbraw/zinc/08/79/63/649087963.db2.gz DCPYEQLKSMSHDE-JCYILVPMSA-N 2 0 294.483 2.591 20 0 CFADRP CCc1onc(C)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929686133 649097171 /nfs/dbraw/zinc/09/71/71/649097171.db2.gz FXOHUKUURAFYAC-HNNXBMFYSA-N 2 0 291.439 2.996 20 0 CFADRP C[N@H+](CCCc1cccnc1)CC[C@@H]1CCCC[NH+]1C ZINC000929721756 649106150 /nfs/dbraw/zinc/10/61/50/649106150.db2.gz FVPDYOWTKJCEFC-KRWDZBQOSA-N 2 0 275.440 2.820 20 0 CFADRP c1cncc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000929719506 649106347 /nfs/dbraw/zinc/10/63/47/649106347.db2.gz OWCLXSYBZRSCAU-GOSISDBHSA-N 2 0 287.451 2.822 20 0 CFADRP CCC[NH+]1CCC(N(C)C[C@@H](O)c2cccc(C)c2)CC1 ZINC000929778286 649118941 /nfs/dbraw/zinc/11/89/41/649118941.db2.gz SJZSGYIFRVJMSE-GOSISDBHSA-N 2 0 290.451 2.835 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000929779272 649119871 /nfs/dbraw/zinc/11/98/71/649119871.db2.gz YDSREMSKGMZNPL-ZSHCYNCHSA-N 2 0 282.472 2.996 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(C)(F)F)CC[C@@H]21 ZINC000929849325 649138815 /nfs/dbraw/zinc/13/88/15/649138815.db2.gz XFRUSFOEOXBORZ-STQMWFEESA-N 2 0 260.372 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)C(C)C)[C@@H](C)C1 ZINC000929998754 649162491 /nfs/dbraw/zinc/16/24/91/649162491.db2.gz GSBOUMOYQOFEJY-JYJNAYRXSA-N 2 0 270.461 2.567 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000930139451 649192128 /nfs/dbraw/zinc/19/21/28/649192128.db2.gz MXFNRLMGSQYZOR-MRXNPFEDSA-N 2 0 289.423 2.560 20 0 CFADRP CC[C@@H](CO)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000930179710 649199630 /nfs/dbraw/zinc/19/96/30/649199630.db2.gz ODMTWZIYINZXFA-KRWDZBQOSA-N 2 0 284.488 2.837 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000930315487 649228885 /nfs/dbraw/zinc/22/88/85/649228885.db2.gz KQPZOVJGTQILTA-AWEZNQCLSA-N 2 0 290.398 2.609 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCOC2CC2)CC1 ZINC000930437681 649247552 /nfs/dbraw/zinc/24/75/52/649247552.db2.gz DXLLFRRHVVOMIG-UHFFFAOYSA-N 2 0 297.402 2.536 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000930557624 649273235 /nfs/dbraw/zinc/27/32/35/649273235.db2.gz HIEROWZIIICVJH-QGZVFWFLSA-N 2 0 274.408 2.531 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000930602685 649284675 /nfs/dbraw/zinc/28/46/75/649284675.db2.gz XBBYRMLZWZGWIW-XGUBFFRZSA-N 2 0 284.394 2.695 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434055 649427043 /nfs/dbraw/zinc/42/70/43/649427043.db2.gz NQEJRXHRSYTJIF-RWMBFGLXSA-N 2 0 280.362 2.909 20 0 CFADRP C[C@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441238 649427931 /nfs/dbraw/zinc/42/79/31/649427931.db2.gz DWTJLOZLJJQUKE-YHUYYLMFSA-N 2 0 250.430 2.696 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000931442154 649428964 /nfs/dbraw/zinc/42/89/64/649428964.db2.gz WLPVEYDKNGDFHP-KSZLIROESA-N 2 0 284.447 2.990 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCC3(F)F)C[C@@H]2C1 ZINC000931442349 649429000 /nfs/dbraw/zinc/42/90/00/649429000.db2.gz DEEQHFRATPPICL-HZSPNIEDSA-N 2 0 272.383 2.695 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000931481303 649438684 /nfs/dbraw/zinc/43/86/84/649438684.db2.gz GTNNEYWEIQELSG-UHFFFAOYSA-N 2 0 298.377 2.513 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485339 649439505 /nfs/dbraw/zinc/43/95/05/649439505.db2.gz FBKUPHSCZKNXSO-MRXNPFEDSA-N 2 0 276.424 2.526 20 0 CFADRP C[C@@H](C[N@@H+]1CCc2nccc(N)c2C1)c1ccccc1 ZINC000931513551 649444527 /nfs/dbraw/zinc/44/45/27/649444527.db2.gz ZCWLDJSAPXOGRP-ZDUSSCGKSA-N 2 0 267.376 2.826 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@H]1CCCC1(F)F ZINC000931718015 649478470 /nfs/dbraw/zinc/47/84/70/649478470.db2.gz RDBZIIRDJJSODH-HZSPNIEDSA-N 2 0 272.383 2.980 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1COC(C)(C)C ZINC000932171228 649558213 /nfs/dbraw/zinc/55/82/13/649558213.db2.gz WQHCXEYBGQFTKL-CABCVRRESA-N 2 0 268.445 2.750 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H](c2ccccn2)C2CC2)[nH]1 ZINC000932386734 649590495 /nfs/dbraw/zinc/59/04/95/649590495.db2.gz UGMZPCLRBYZXCH-OAHLLOKOSA-N 2 0 256.353 2.662 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696815 649816687 /nfs/dbraw/zinc/81/66/87/649816687.db2.gz UZFCVOOURPCBAM-JKSUJKDBSA-N 2 0 259.397 2.607 20 0 CFADRP Nc1ncccc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC001243473913 782222317 /nfs/dbraw/zinc/22/23/17/782222317.db2.gz OWRJQQUMJFGAEQ-UHFFFAOYSA-N 2 0 283.375 2.805 20 0 CFADRP C([NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000723637716 770631126 /nfs/dbraw/zinc/63/11/26/770631126.db2.gz SVYVDEAILPOVPQ-OAGGEKHMSA-N 2 0 250.430 2.935 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001233054220 777781577 /nfs/dbraw/zinc/78/15/77/777781577.db2.gz GDRVERLJJNCLJI-UHFFFAOYSA-N 2 0 292.398 2.839 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CC2(CN(c3c[nH+]cn3C)C2)C1 ZINC001277765648 777803441 /nfs/dbraw/zinc/80/34/41/777803441.db2.gz MRCGDQFXFGXJLQ-HNNXBMFYSA-N 2 0 290.455 2.759 20 0 CFADRP CN(C)C1=NOC2(C1)CCN(Cc1ccc(Cl)o1)CC2 ZINC001233315277 777877608 /nfs/dbraw/zinc/87/76/08/777877608.db2.gz FYFNMCWHDKQSHZ-UHFFFAOYSA-N 2 0 297.786 2.563 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CCC[C@@H]3C[NH3+])cc21 ZINC001236252120 778753776 /nfs/dbraw/zinc/75/37/76/778753776.db2.gz DSDMZDZBYQSBAG-MRXNPFEDSA-N 2 0 285.435 2.611 20 0 CFADRP C(C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001236371871 778795199 /nfs/dbraw/zinc/79/51/99/778795199.db2.gz NVQYBDOLMRFZCI-SJORKVTESA-N 3 0 293.499 2.620 20 0 CFADRP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235820693 778567313 /nfs/dbraw/zinc/56/73/13/778567313.db2.gz RGVPFYJVFRXTLE-JKSUJKDBSA-N 2 0 287.451 2.717 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cccn1-c1ccccc1F ZINC001235925255 778611282 /nfs/dbraw/zinc/61/12/82/778611282.db2.gz NGKHKDAYRVRGIC-AWEZNQCLSA-N 2 0 287.382 2.930 20 0 CFADRP CN1CCC[C@H](C[N@H+](C)CCC(=O)c2ccccc2)C1 ZINC000705111433 769824194 /nfs/dbraw/zinc/82/41/94/769824194.db2.gz PRNGCVDTJWWESG-HNNXBMFYSA-N 2 0 274.408 2.533 20 0 CFADRP Cc1c[nH+]c(N2CC3(CC[NH2+]CC3)c3ccccc32)cc1N ZINC001167069167 769905514 /nfs/dbraw/zinc/90/55/14/769905514.db2.gz AXVJMGAXVMPJMA-UHFFFAOYSA-N 2 0 294.402 2.745 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@H](c3ccccc3)C2)C1 ZINC001208607244 769909994 /nfs/dbraw/zinc/90/99/94/769909994.db2.gz KTLDGYQLYARWMK-NVXWUHKLSA-N 2 0 258.409 2.818 20 0 CFADRP Cc1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c(N)c1 ZINC001167072252 769913163 /nfs/dbraw/zinc/91/31/63/769913163.db2.gz YAEYBVKXWKUZHA-UHFFFAOYSA-N 2 0 294.402 2.745 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH+](CCC2CCCC2)CC1 ZINC001208693823 769925182 /nfs/dbraw/zinc/92/51/82/769925182.db2.gz CWYOAMSNHHFURN-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP C[N@H+]1CC=C(Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001208844135 769946055 /nfs/dbraw/zinc/94/60/55/769946055.db2.gz MEUKFGLMQOHYJU-UHFFFAOYSA-N 2 0 271.408 2.914 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1C ZINC001206805207 769971478 /nfs/dbraw/zinc/97/14/78/769971478.db2.gz AUIOEPUPKNHMKJ-GDBMZVCRSA-N 2 0 276.424 2.953 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1C ZINC001206805218 769972083 /nfs/dbraw/zinc/97/20/83/769972083.db2.gz AUIOEPUPKNHMKJ-ZBFHGGJFSA-N 2 0 276.424 2.953 20 0 CFADRP CCOc1cc(C)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206811420 770013714 /nfs/dbraw/zinc/01/37/14/770013714.db2.gz UIGBKCBMRDWSBQ-LSDHHAIUSA-N 2 0 276.424 2.953 20 0 CFADRP COc1c(C)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812230 770023676 /nfs/dbraw/zinc/02/36/76/770023676.db2.gz YJHVALGHNIHBEZ-KGLIPLIRSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H]1CC(C[NH+]2CCC(n3ccnc3)CC2)C[C@@H](C)O1 ZINC001209397956 770054104 /nfs/dbraw/zinc/05/41/04/770054104.db2.gz MBDWKBKBELCJME-ZIAGYGMSSA-N 2 0 277.412 2.724 20 0 CFADRP Cc1c[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1C ZINC001167208064 770141867 /nfs/dbraw/zinc/14/18/67/770141867.db2.gz MLXJYSKEBZBSAR-MJGOQNOKSA-N 2 0 293.414 2.676 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(N[C@H]3CC[N@H+](C)C3)cc21 ZINC001167281249 770206598 /nfs/dbraw/zinc/20/65/98/770206598.db2.gz PYIHVLQMINWQDR-HNNXBMFYSA-N 2 0 271.408 2.804 20 0 CFADRP c1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c2c([nH+]1)CCC2 ZINC001210706704 770351883 /nfs/dbraw/zinc/35/18/83/770351883.db2.gz ZCKCFZPGKNLARH-OAHLLOKOSA-N 2 0 283.419 2.936 20 0 CFADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)oc1C ZINC001204535808 770417967 /nfs/dbraw/zinc/41/79/67/770417967.db2.gz YTUPHJHXEQFKFP-UHFFFAOYSA-N 2 0 250.386 2.670 20 0 CFADRP CCC[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721445271 770434992 /nfs/dbraw/zinc/43/49/92/770434992.db2.gz DJWBUFCQRPMXIT-OLZOCXBDSA-N 2 0 294.361 2.560 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693375046 770564291 /nfs/dbraw/zinc/56/42/91/770564291.db2.gz YRDCMAOWQRARAQ-RNJOBUHISA-N 2 0 260.372 2.583 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@@H](O)c2ccccc2)CC1 ZINC000383514440 770573775 /nfs/dbraw/zinc/57/37/75/770573775.db2.gz GBLKQANPXQONJB-QGZVFWFLSA-N 2 0 276.424 2.574 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723639107 770632506 /nfs/dbraw/zinc/63/25/06/770632506.db2.gz RDHMOZOGAUUQCL-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691546 770650759 /nfs/dbraw/zinc/65/07/59/770650759.db2.gz PVVPBKMRZGGQJJ-WDEREUQCSA-N 2 0 254.324 2.697 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000723691720 770650810 /nfs/dbraw/zinc/65/08/10/770650810.db2.gz SCOOUJYHEQHSIH-LBPRGKRZSA-N 2 0 254.324 2.795 20 0 CFADRP CS[C@@H]1CC[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707300510 770654714 /nfs/dbraw/zinc/65/47/14/770654714.db2.gz GOBWXVWYTGKLIF-ARQSVGKCSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000723890275 770706748 /nfs/dbraw/zinc/70/67/48/770706748.db2.gz CYWDIHUIMVXMRE-DGCLKSJQSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1CC[NH3+] ZINC000723922487 770714459 /nfs/dbraw/zinc/71/44/59/770714459.db2.gz NYLPEROREHUOLR-MWLCHTKSSA-N 2 0 272.314 2.521 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCCOC1 ZINC000723958155 770721507 /nfs/dbraw/zinc/72/15/07/770721507.db2.gz ZNWGFGGHQXJKKR-VDNDLQMASA-N 2 0 274.408 2.926 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000723969452 770726593 /nfs/dbraw/zinc/72/65/93/770726593.db2.gz QQIHGXKMJABHCA-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000723969454 770726674 /nfs/dbraw/zinc/72/66/74/770726674.db2.gz QQIHGXKMJABHCA-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723978448 770732229 /nfs/dbraw/zinc/73/22/29/770732229.db2.gz GZHKMNBXUUNFDL-NVXWUHKLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCCC[NH2+]1 ZINC000403586081 770796058 /nfs/dbraw/zinc/79/60/58/770796058.db2.gz VWSALHXGELPIBK-RKFYDKJMSA-N 2 0 254.443 2.533 20 0 CFADRP C1=CCC(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000724201797 770812243 /nfs/dbraw/zinc/81/22/43/770812243.db2.gz JBOSIOQKCRMTLO-UHFFFAOYSA-N 2 0 271.408 2.996 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000690738799 770883512 /nfs/dbraw/zinc/88/35/12/770883512.db2.gz IGDZWIZGTQYQQM-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP CC[NH+]1C[C@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001207350287 773216544 /nfs/dbraw/zinc/21/65/44/773216544.db2.gz JTPAVLZVTKXWAO-KBPBESRZSA-N 2 0 272.383 2.695 20 0 CFADRP C(CC1SCCS1)[NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000693779073 773249196 /nfs/dbraw/zinc/24/91/96/773249196.db2.gz CPJDTGYYWPEONB-AGIUHOORSA-N 2 0 286.510 2.693 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000382289642 775148031 /nfs/dbraw/zinc/14/80/31/775148031.db2.gz PSEJKNUTMHRKTI-AVVWSFFYSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721549339 775151386 /nfs/dbraw/zinc/15/13/86/775151386.db2.gz JUFHITAXNZSIQX-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CCCCC1 ZINC000405253264 775199508 /nfs/dbraw/zinc/19/95/08/775199508.db2.gz JEWLQBNGFDVZCK-STQMWFEESA-N 2 0 268.470 2.912 20 0 CFADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000708470556 775223078 /nfs/dbraw/zinc/22/30/78/775223078.db2.gz SYKFYBTUPZKJMK-QGZVFWFLSA-N 2 0 258.409 2.736 20 0 CFADRP C[N@@H+]1CC[C@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832769 775285208 /nfs/dbraw/zinc/28/52/08/775285208.db2.gz XCKRHJAHPXGPEO-MSOLQXFVSA-N 2 0 288.435 2.619 20 0 CFADRP C[NH+](C)Cc1ccccc1N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277003640 775288574 /nfs/dbraw/zinc/28/85/74/775288574.db2.gz GVYOOPQDDJAGBG-SFHVURJKSA-N 2 0 287.451 2.670 20 0 CFADRP C[NH2+][C@H]1CC[C@H](OCCCCC2CC[NH2+]CC2)CC1 ZINC001217824134 775305877 /nfs/dbraw/zinc/30/58/77/775305877.db2.gz PNIXYJXJVVJPCD-WKILWMFISA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)[C@H]1CC[NH3+] ZINC000694000544 775335411 /nfs/dbraw/zinc/33/54/11/775335411.db2.gz OGNOYNYYLPMBQT-LRDDRELGSA-N 2 0 272.396 2.512 20 0 CFADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708851994 775518711 /nfs/dbraw/zinc/51/87/11/775518711.db2.gz WIZMZSHZVPSHDI-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP Cc1ccc(Cl)c(C)c1NC(=[NH2+])SCC[NH3+] ZINC001167913503 775662557 /nfs/dbraw/zinc/66/25/57/775662557.db2.gz YZPIPZDIGJDFGI-UHFFFAOYSA-N 2 0 257.790 2.995 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CCc1ccccc1OC ZINC001207459824 775782750 /nfs/dbraw/zinc/78/27/50/775782750.db2.gz BJUULPWSEXKNDP-UHFFFAOYSA-N 2 0 278.440 2.901 20 0 CFADRP CCCC[NH+](CCCC)CCNc1ccnc(C[NH3+])c1 ZINC001167733509 775865894 /nfs/dbraw/zinc/86/58/94/775865894.db2.gz XUYOABLNHSMJAK-UHFFFAOYSA-N 2 0 278.444 2.854 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H]1CCCOC1 ZINC001207471373 775891150 /nfs/dbraw/zinc/89/11/50/775891150.db2.gz IARBIXYAASSDAD-ULQDDVLXSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226651749 775903884 /nfs/dbraw/zinc/90/38/84/775903884.db2.gz BANYMYWSCYOUQM-HIFRSBDPSA-N 2 0 298.390 2.663 20 0 CFADRP CCC[NH+]1C[C@@H]2C[NH+](CCc3ccc(OC)cc3)C[C@H]2C1 ZINC001207479260 775924912 /nfs/dbraw/zinc/92/49/12/775924912.db2.gz RPLOCVCEBGWYAY-IAGOWNOFSA-N 2 0 288.435 2.511 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC2(CC2)CC1 ZINC000695745055 775972434 /nfs/dbraw/zinc/97/24/34/775972434.db2.gz QHRSBLKYUDWQSK-OWCLPIDISA-N 2 0 262.441 2.935 20 0 CFADRP Cc1c(N)cc[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167751823 776081623 /nfs/dbraw/zinc/08/16/23/776081623.db2.gz PHLOHTCHHMSRBN-LBPRGKRZSA-N 2 0 262.401 2.649 20 0 CFADRP CC(C)(C)c1cc(C[NH+]2CCC(F)(C[NH3+])CC2)ccn1 ZINC001222542549 776169898 /nfs/dbraw/zinc/16/98/98/776169898.db2.gz HMIXZHBTZGFMJH-UHFFFAOYSA-N 2 0 279.403 2.642 20 0 CFADRP COC(=N)c1cccc(NCc2ccc(N)nc2C)c1 ZINC001167786963 776403851 /nfs/dbraw/zinc/40/38/51/776403851.db2.gz MPTIPHGOPCGDRP-UHFFFAOYSA-N 2 0 270.336 2.556 20 0 CFADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001228559244 776521867 /nfs/dbraw/zinc/52/18/67/776521867.db2.gz NZWISNFCHPPFQV-BZUAXINKSA-N 2 0 297.487 2.534 20 0 CFADRP CCCOC1C[NH+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167823862 776540725 /nfs/dbraw/zinc/54/07/25/776540725.db2.gz ADNFKHPBQGSADY-CQSZACIVSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC001167825451 776544871 /nfs/dbraw/zinc/54/48/71/776544871.db2.gz JEMNDERMOIJYHY-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP CCOC(=O)[C@H]1CCCC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167826131 776548022 /nfs/dbraw/zinc/54/80/22/776548022.db2.gz MSTIDYQQIWJWEK-HZPDHXFCSA-N 2 0 298.471 2.915 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925784659 776551800 /nfs/dbraw/zinc/55/18/00/776551800.db2.gz JYLACCHUJPJMKZ-KMFMINBZSA-N 2 0 278.415 2.838 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001167833553 776570319 /nfs/dbraw/zinc/57/03/19/776570319.db2.gz CHURVXXOWJWGTG-CVEARBPZSA-N 2 0 298.471 2.772 20 0 CFADRP CCN1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)[C@H](C)C1 ZINC001167835853 776583752 /nfs/dbraw/zinc/58/37/52/776583752.db2.gz UQKYERMOJYPZID-JKSUJKDBSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C ZINC001167838089 776588332 /nfs/dbraw/zinc/58/83/32/776588332.db2.gz PNDMNIDEWGMCGQ-XHSDSOJGSA-N 2 0 298.471 2.770 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC001167838306 776589442 /nfs/dbraw/zinc/58/94/42/776589442.db2.gz STIWUMRESBEIGC-CVEARBPZSA-N 2 0 270.461 2.591 20 0 CFADRP CCOC(=O)C[N@H+]([C@H](C)CCC[NH+](CC)CC)C1CC1 ZINC001167841905 776608828 /nfs/dbraw/zinc/60/88/28/776608828.db2.gz UHIDKZKESLRPPX-CQSZACIVSA-N 2 0 284.444 2.524 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)n1ccc2c1CC[NH2+]C2 ZINC001167842916 776614117 /nfs/dbraw/zinc/61/41/17/776614117.db2.gz ZPRIKKMNROXJDB-AWEZNQCLSA-N 2 0 263.429 2.817 20 0 CFADRP C[NH+](C)Cc1ccc(Br)c(NC=[NH2+])c1 ZINC001167871063 776691838 /nfs/dbraw/zinc/69/18/38/776691838.db2.gz GQSCVSWJZKKOID-UHFFFAOYSA-N 2 0 256.147 2.530 20 0 CFADRP C[NH+](C)Cc1ccc(CSCC[NH2+][C@H]2C[C@H]3C[C@H]3C2)o1 ZINC001167891299 776727469 /nfs/dbraw/zinc/72/74/69/776727469.db2.gz MAJKJFHRLIRBOS-WDNDVIMCSA-N 2 0 294.464 2.963 20 0 CFADRP Cc1cc(Cl)cc(C)c1NC(=[NH2+])SCC[NH3+] ZINC001167915405 776852757 /nfs/dbraw/zinc/85/27/57/776852757.db2.gz UJMYZURICFGIGJ-UHFFFAOYSA-N 2 0 257.790 2.995 20 0 CFADRP C[NH+](C)Cc1ccc(OC2CCC([NH+](C)C)CC2)cc1 ZINC001225331411 776971698 /nfs/dbraw/zinc/97/16/98/776971698.db2.gz CNKCSRHNILPJIU-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP COc1cc(F)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001231607417 777279182 /nfs/dbraw/zinc/27/91/82/777279182.db2.gz ZVCLJMPBMKXOTE-UHFFFAOYSA-N 2 0 292.398 2.752 20 0 CFADRP c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)nc1 ZINC001167960458 777298068 /nfs/dbraw/zinc/29/80/68/777298068.db2.gz YWJGYSYJYBQHNW-AYHJJNSGSA-N 2 0 285.435 2.619 20 0 CFADRP C(C[C@@H]1CCCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964377 777391673 /nfs/dbraw/zinc/39/16/73/777391673.db2.gz QAZPSCLDMACTKU-FBVQUNGASA-N 2 0 292.467 2.941 20 0 CFADRP COCC[C@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014094 777412156 /nfs/dbraw/zinc/41/21/56/777412156.db2.gz JXSUWSZDVJIPIW-OAHLLOKOSA-N 2 0 273.380 2.954 20 0 CFADRP CCC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCOCC1 ZINC001232015126 777412401 /nfs/dbraw/zinc/41/24/01/777412401.db2.gz BEXWAASUNOWYRD-UHFFFAOYSA-N 2 0 273.380 2.954 20 0 CFADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017754 777414807 /nfs/dbraw/zinc/41/48/07/777414807.db2.gz VZMKCOGWNTWYIM-YIONKMFJSA-N 2 0 271.364 2.705 20 0 CFADRP CC(C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981894 777449836 /nfs/dbraw/zinc/44/98/36/777449836.db2.gz OICCOCODARJLGU-XYPWUTKMSA-N 2 0 250.430 2.980 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC001232148150 777451575 /nfs/dbraw/zinc/45/15/75/777451575.db2.gz WZGXEWKMALMGSC-KRWDZBQOSA-N 2 0 294.414 2.888 20 0 CFADRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1cncc(C3CC3)c1)CC2 ZINC001277624835 777461341 /nfs/dbraw/zinc/46/13/41/777461341.db2.gz JEJQFFUJXXHLNO-UHFFFAOYSA-N 2 0 285.435 2.877 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@]3(CCOC3)C1)C2 ZINC001167985061 777468413 /nfs/dbraw/zinc/46/84/13/777468413.db2.gz UDBJIWDZSOFBKU-WFFDWFOESA-N 2 0 290.451 2.504 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@@]3(CCCO3)C1)C2 ZINC001167985072 777468648 /nfs/dbraw/zinc/46/86/48/777468648.db2.gz UKKXTTLVHIBYGI-WFFDWFOESA-N 2 0 290.451 2.647 20 0 CFADRP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994939 777527130 /nfs/dbraw/zinc/52/71/30/777527130.db2.gz QSBXIMWPHITJHM-RCRKSNOSSA-N 2 0 278.415 2.824 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC3(CCO3)CC1)C2 ZINC001167995157 777527278 /nfs/dbraw/zinc/52/72/78/777527278.db2.gz XZEXJUQBGKYJLA-SJPCQFCGSA-N 2 0 290.451 2.647 20 0 CFADRP CCO[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995387 777529678 /nfs/dbraw/zinc/52/96/78/777529678.db2.gz DBTWOMBJNDTIHN-UJJTZGENSA-N 2 0 292.467 2.893 20 0 CFADRP C[N@H+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995838 777532325 /nfs/dbraw/zinc/53/23/25/777532325.db2.gz RSOLNSQIZVUOPP-DFNIBXOVSA-N 2 0 299.462 2.961 20 0 CFADRP CC(=O)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167996198 777535498 /nfs/dbraw/zinc/53/54/98/777535498.db2.gz ZBYGUZUWXZFLBC-JWTNVVGKSA-N 2 0 290.451 2.693 20 0 CFADRP C[C@H]1CC([NH2+]CC2(O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168004972 777573318 /nfs/dbraw/zinc/57/33/18/777573318.db2.gz CVAIJGGFJOWZPS-GJZGRUSLSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]1C[C@@H](n2cncc2C[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006188 777579654 /nfs/dbraw/zinc/57/96/54/777579654.db2.gz MIOPMEGIHHNNKJ-SCAQPMJSSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006712 777581514 /nfs/dbraw/zinc/58/15/14/777581514.db2.gz OJQURJSEMUENMG-CYGHRXIMSA-N 2 0 288.435 2.807 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc3ccoc3cn2)CC1 ZINC001232550278 777598205 /nfs/dbraw/zinc/59/82/05/777598205.db2.gz INFVTFAPBAOGJY-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cc(OCC)ccn1 ZINC001232587316 777610139 /nfs/dbraw/zinc/61/01/39/777610139.db2.gz DXLBUGHUNMUYQP-UHFFFAOYSA-N 2 0 279.428 2.644 20 0 CFADRP c1nc2cccc(CN3CCC([NH+]4CCC4)CC3)c2s1 ZINC001232738086 777654080 /nfs/dbraw/zinc/65/40/80/777654080.db2.gz RNEXIZDWCNROKN-UHFFFAOYSA-N 2 0 287.432 2.966 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc3ncsc3c1)CC2 ZINC001232743313 777654732 /nfs/dbraw/zinc/65/47/32/777654732.db2.gz RGHLFOMDWRNQLY-UHFFFAOYSA-N 2 0 287.432 2.824 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1ccnc(Cl)c1C ZINC001232754516 777659157 /nfs/dbraw/zinc/65/91/57/777659157.db2.gz GHHXLAGWMWMCAS-UHFFFAOYSA-N 2 0 269.820 2.817 20 0 CFADRP C[C@H]1CC(NC2CC([NH3+])C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024743 777710457 /nfs/dbraw/zinc/71/04/57/777710457.db2.gz IMVBGDKOTWSTPS-GPIMWBBRSA-N 2 0 287.451 2.507 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCC(C)=C[C@@H]2C)C1 ZINC001205001021 777729752 /nfs/dbraw/zinc/72/97/52/777729752.db2.gz NGTBVUWVIPPGIE-HRCADAONSA-N 2 0 250.430 2.910 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2ncoc2c1 ZINC001232943648 777732477 /nfs/dbraw/zinc/73/24/77/777732477.db2.gz GPRJCSLXHYNTBK-UHFFFAOYSA-N 2 0 275.396 2.992 20 0 CFADRP CCC[NH+]1C[C@@H]2CN(Cc3ccc(N)cc3Cl)C[C@H]2C1 ZINC001233377399 777921338 /nfs/dbraw/zinc/92/13/38/777921338.db2.gz CPFVUUVBWJSCFM-ZIAGYGMSSA-N 2 0 293.842 2.696 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CCO1 ZINC001168073513 777937506 /nfs/dbraw/zinc/93/75/06/777937506.db2.gz CRPVZZDZBMJJIZ-ZFWWWQNUSA-N 2 0 254.418 2.537 20 0 CFADRP COCC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000697016289 777979401 /nfs/dbraw/zinc/97/94/01/777979401.db2.gz MZWXEOZZLMCSLX-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@@](C)([NH3+])C3)cc21 ZINC001204801058 777987575 /nfs/dbraw/zinc/98/75/75/777987575.db2.gz JAXGFBMESHPKRR-GOSISDBHSA-N 2 0 285.435 2.611 20 0 CFADRP Cc1cccnc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714417219 778022253 /nfs/dbraw/zinc/02/22/53/778022253.db2.gz JZENCTIYSAAHFE-UHFFFAOYSA-N 2 0 261.413 2.587 20 0 CFADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168093183 778025050 /nfs/dbraw/zinc/02/50/50/778025050.db2.gz UPVPDOHXAJOKNW-YHNBSYBMSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094032 778030278 /nfs/dbraw/zinc/03/02/78/778030278.db2.gz RFOQPQNFDAUUFC-XOUADPBQSA-N 2 0 266.429 2.678 20 0 CFADRP C[C@H]1C[C@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094981 778031902 /nfs/dbraw/zinc/03/19/02/778031902.db2.gz YMHIMIRPHABTGW-QCEMKRCNSA-N 2 0 266.429 2.536 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CCO1 ZINC001168100418 778040104 /nfs/dbraw/zinc/04/01/04/778040104.db2.gz CEXBZYMNTPQWGC-NUJGCVRESA-N 2 0 292.467 2.964 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001168120611 778092956 /nfs/dbraw/zinc/09/29/56/778092956.db2.gz XKAUZSRXIGXIEL-WBVHZDCISA-N 2 0 292.467 2.894 20 0 CFADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168145529 778158862 /nfs/dbraw/zinc/15/88/62/778158862.db2.gz SXLNATWJNDWRRO-GOEBONIOSA-N 2 0 289.423 2.516 20 0 CFADRP CC1CCC([N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC001168220281 778256420 /nfs/dbraw/zinc/25/64/20/778256420.db2.gz VAQWBBXPARBPKE-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C2 ZINC001168248765 778272274 /nfs/dbraw/zinc/27/22/74/778272274.db2.gz OZZBFUYGUXPWEQ-KRWDZBQOSA-N 2 0 288.435 2.628 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000721251116 778292776 /nfs/dbraw/zinc/29/27/76/778292776.db2.gz APRYWENXMPCOHS-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC13CCCC3)CC[NH2+]C2 ZINC001234974127 778343717 /nfs/dbraw/zinc/34/37/17/778343717.db2.gz IIAJPXBNRGXHCK-UHFFFAOYSA-N 2 0 256.393 2.851 20 0 CFADRP CCOc1cc(F)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234997394 778348513 /nfs/dbraw/zinc/34/85/13/778348513.db2.gz BWZHYFHMGKVWAA-KRWDZBQOSA-N 2 0 292.398 2.800 20 0 CFADRP CCOc1cc(F)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234997396 778348705 /nfs/dbraw/zinc/34/87/05/778348705.db2.gz BWZHYFHMGKVWAA-QGZVFWFLSA-N 2 0 292.398 2.800 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)NCCC2 ZINC001234998706 778349609 /nfs/dbraw/zinc/34/96/09/778349609.db2.gz JBKLAAZDWFFDPM-SFHVURJKSA-N 2 0 285.435 2.620 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235024518 778357246 /nfs/dbraw/zinc/35/72/46/778357246.db2.gz NGBPHMXPGKNHRQ-UHFFFAOYSA-N 2 0 258.409 2.648 20 0 CFADRP C[N@@H+]1CCC2(C1)CC[NH+](CCC(=O)c1ccccc1)CC2 ZINC001277917593 778358916 /nfs/dbraw/zinc/35/89/16/778358916.db2.gz XXDDOCMERCXYBC-UHFFFAOYSA-N 2 0 286.419 2.677 20 0 CFADRP COc1cc(C)c(CN2CC[C@H]3[NH2+]C[C@H]3C2)cc1C(C)C ZINC001235030111 778359535 /nfs/dbraw/zinc/35/95/35/778359535.db2.gz GIHTVZSSELOPKF-DOTOQJQBSA-N 2 0 288.435 2.921 20 0 CFADRP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2c(c1)CCCC2 ZINC001235031131 778360784 /nfs/dbraw/zinc/36/07/84/778360784.db2.gz COVRNJXJCODLHS-SFHVURJKSA-N 2 0 270.420 2.751 20 0 CFADRP CCN1CCc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc21 ZINC001235106033 778382578 /nfs/dbraw/zinc/38/25/78/778382578.db2.gz JZERULCSCOPREB-UHFFFAOYSA-N 2 0 299.462 2.645 20 0 CFADRP CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC001235104560 778383293 /nfs/dbraw/zinc/38/32/93/778383293.db2.gz SUZMLEGKIOAWRN-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCCCC34CC[NH2+]CC4)c1)CCN2 ZINC001235190129 778408256 /nfs/dbraw/zinc/40/82/56/778408256.db2.gz DUYFGDOFIMOLOQ-UHFFFAOYSA-N 2 0 285.435 2.763 20 0 CFADRP CN(C)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168295135 778410850 /nfs/dbraw/zinc/41/08/50/778410850.db2.gz VLMODYCXIJUCRD-ABHNRTSZSA-N 2 0 289.467 2.752 20 0 CFADRP COc1ccc(OCC[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168294939 778410921 /nfs/dbraw/zinc/41/09/21/778410921.db2.gz IXVYJQDEQRXUJH-UHFFFAOYSA-N 2 0 292.423 2.536 20 0 CFADRP Cc1csc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235227965 778421707 /nfs/dbraw/zinc/42/17/07/778421707.db2.gz GTHWPOPJHCGWJO-AWEZNQCLSA-N 2 0 279.453 2.806 20 0 CFADRP CCCn1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235226319 778421840 /nfs/dbraw/zinc/42/18/40/778421840.db2.gz BWSINHLTHGASJO-QGZVFWFLSA-N 2 0 290.455 2.647 20 0 CFADRP c1cc2cccc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)n2n1 ZINC001235230143 778422673 /nfs/dbraw/zinc/42/26/73/778422673.db2.gz OASBDZHPJQEAAV-SFHVURJKSA-N 2 0 298.434 2.688 20 0 CFADRP CCOC(C)(C)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232428 778423627 /nfs/dbraw/zinc/42/36/27/778423627.db2.gz IOEPTKYFTKAMSE-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cccc(C2(C[NH2+]C3CCC([NH+](C)C)CC3)CC2)n1 ZINC001168312291 778424372 /nfs/dbraw/zinc/42/43/72/778424372.db2.gz OODFEJBXLZYCNM-UHFFFAOYSA-N 2 0 287.451 2.884 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc([C@@H]3CC[N@H+](C)C3)cc2)C1 ZINC001168317889 778428940 /nfs/dbraw/zinc/42/89/40/778428940.db2.gz UTJIJHCVBPVDJX-OAHLLOKOSA-N 2 0 273.424 2.610 20 0 CFADRP Cc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)sc1C ZINC001235246510 778430229 /nfs/dbraw/zinc/43/02/29/778430229.db2.gz YEYVMUUUXMNZQI-TZMCWYRMSA-N 2 0 250.411 2.678 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(F)c3ccoc31)C2 ZINC001235247326 778430352 /nfs/dbraw/zinc/43/03/52/778430352.db2.gz GBSUXYVNZDRCBW-MLGOLLRUSA-N 2 0 274.339 2.885 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC001168323054 778431298 /nfs/dbraw/zinc/43/12/98/778431298.db2.gz OOQLMGHSQSQVBP-ABHNRTSZSA-N 2 0 293.499 2.810 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CC(Oc3ccccc3)C2)CC1 ZINC001168324223 778432286 /nfs/dbraw/zinc/43/22/86/778432286.db2.gz KXAOXHMTNSNFID-UHFFFAOYSA-N 2 0 274.408 2.622 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2c(c1)CCCC2 ZINC001235266915 778440309 /nfs/dbraw/zinc/44/03/09/778440309.db2.gz HSOVSNGLQWZXFA-WMZOPIPTSA-N 2 0 270.420 2.749 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272472 778441734 /nfs/dbraw/zinc/44/17/34/778441734.db2.gz QASKZARJBRKDMY-DOTOQJQBSA-N 2 0 281.403 2.661 20 0 CFADRP CCOC(=O)CCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168357513 778460613 /nfs/dbraw/zinc/46/06/13/778460613.db2.gz DUIMWTRPSVSENZ-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1CC ZINC001235343027 778461188 /nfs/dbraw/zinc/46/11/88/778461188.db2.gz ZTRZMKJNVLCAKB-INIZCTEOSA-N 2 0 288.435 2.689 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)CC(C)(C)C ZINC001235369499 778471028 /nfs/dbraw/zinc/47/10/28/778471028.db2.gz RNAAZNFWPOXKHI-LISAXSMJSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(C)c1 ZINC001235400787 778476615 /nfs/dbraw/zinc/47/66/15/778476615.db2.gz FELJZWBHAUVCTL-SJORKVTESA-N 2 0 276.399 2.827 20 0 CFADRP Fc1ccccc1CCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235408452 778479818 /nfs/dbraw/zinc/47/98/18/778479818.db2.gz VGILLABXRUNPTE-SJORKVTESA-N 2 0 294.389 2.782 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235514383 778510760 /nfs/dbraw/zinc/51/07/60/778510760.db2.gz ITABJMUXRPTBAS-UHFFFAOYSA-N 2 0 294.830 2.990 20 0 CFADRP Cc1ccnc(CN2CCC3(C[NH+](C)C3)CC2)c1Cl ZINC001235589742 778521821 /nfs/dbraw/zinc/52/18/21/778521821.db2.gz YKFNLOJXTAUNID-UHFFFAOYSA-N 2 0 279.815 2.571 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000697908427 778522664 /nfs/dbraw/zinc/52/26/64/778522664.db2.gz JFSRWDPDWYOJKM-KGLIPLIRSA-N 2 0 264.413 2.556 20 0 CFADRP CC(C)(Cc1ccncc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168364950 778529135 /nfs/dbraw/zinc/52/91/35/778529135.db2.gz KJSPVJJUXWBJNH-UHFFFAOYSA-N 2 0 287.451 2.867 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001277959796 778529689 /nfs/dbraw/zinc/52/96/89/778529689.db2.gz VSWZYRGVGDPQKF-IRXDYDNUSA-N 2 0 296.499 2.981 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235664715 778530647 /nfs/dbraw/zinc/53/06/47/778530647.db2.gz KVDBUVZNKQUQAJ-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP OCCCCCCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365699 778535811 /nfs/dbraw/zinc/53/58/11/778535811.db2.gz FBVXWHHEZRCOFH-UHFFFAOYSA-N 2 0 282.472 2.783 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@H]1C ZINC001235695393 778540675 /nfs/dbraw/zinc/54/06/75/778540675.db2.gz SOGBUYCIQYOMSB-KBPBESRZSA-N 2 0 258.409 2.953 20 0 CFADRP Cc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)ccc1O ZINC001235706332 778543267 /nfs/dbraw/zinc/54/32/67/778543267.db2.gz SNEGPIMSSLJDHP-UHFFFAOYSA-N 2 0 288.435 2.912 20 0 CFADRP CCOc1ncc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1C ZINC001235716406 778545562 /nfs/dbraw/zinc/54/55/62/778545562.db2.gz ALKISEJUBJPQGM-UHFFFAOYSA-N 2 0 291.439 2.610 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(F)c(F)cc1F ZINC001235716908 778545997 /nfs/dbraw/zinc/54/59/97/778545997.db2.gz MLMSBMWSESKVCZ-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP COc1c(C)ccc(F)c1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235718279 778547189 /nfs/dbraw/zinc/54/71/89/778547189.db2.gz VTJOFEYNQXMLHG-UHFFFAOYSA-N 2 0 294.414 2.964 20 0 CFADRP CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC001235771350 778554285 /nfs/dbraw/zinc/55/42/85/778554285.db2.gz LDGRKYTYDTXIRS-CQSZACIVSA-N 2 0 284.444 2.702 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001235808388 778564408 /nfs/dbraw/zinc/56/44/08/778564408.db2.gz CILCIACUCDGWFG-CQSZACIVSA-N 2 0 250.411 2.515 20 0 CFADRP CC1=CC[C@H](CC[N@@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC001235840811 778576105 /nfs/dbraw/zinc/57/61/05/778576105.db2.gz ASQFCYMUCCJTJT-HUUCEWRRSA-N 2 0 250.430 2.910 20 0 CFADRP COc1ccccc1CC[N@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001235840895 778576195 /nfs/dbraw/zinc/57/61/95/778576195.db2.gz CMTCHZZZMCIYPV-MRXNPFEDSA-N 2 0 276.424 2.702 20 0 CFADRP COc1cccc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC001235840560 778576311 /nfs/dbraw/zinc/57/63/11/778576311.db2.gz PNYNJWYJHYLUBG-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP Cc1c(Cl)ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c1C ZINC001235842579 778577548 /nfs/dbraw/zinc/57/75/48/778577548.db2.gz OZRGNKDMMBYYDG-ZDUSSCGKSA-N 2 0 266.816 2.998 20 0 CFADRP CC[C@H]([NH3+])CN1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001235882527 778589441 /nfs/dbraw/zinc/58/94/41/778589441.db2.gz MWXLZYUJFMMBDL-OCCSQVGLSA-N 2 0 297.240 2.976 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235928699 778612621 /nfs/dbraw/zinc/61/26/21/778612621.db2.gz CHSKMRLSIWDINY-UONOGXRCSA-N 2 0 298.352 2.789 20 0 CFADRP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925960 778612723 /nfs/dbraw/zinc/61/27/23/778612723.db2.gz TXXVLCALAYWPTG-AWEZNQCLSA-N 2 0 252.789 2.962 20 0 CFADRP c1ccc(CCCCC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235929419 778613913 /nfs/dbraw/zinc/61/39/13/778613913.db2.gz OMNIBRAHHHIDGT-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929291 778613942 /nfs/dbraw/zinc/61/39/42/778613942.db2.gz KTIDNRFVSNQMBI-KBPBESRZSA-N 2 0 298.352 2.789 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)c1Cl ZINC001235935010 778616526 /nfs/dbraw/zinc/61/65/26/778616526.db2.gz CFALTOPGCCLPTJ-LSDHHAIUSA-N 2 0 278.827 2.998 20 0 CFADRP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1C ZINC001235936786 778618364 /nfs/dbraw/zinc/61/83/64/778618364.db2.gz HEYPOZNOMUYFEH-NVXWUHKLSA-N 2 0 258.409 2.653 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235942036 778618870 /nfs/dbraw/zinc/61/88/70/778618870.db2.gz XUDIUDBPBVQTLW-IRXDYDNUSA-N 2 0 258.409 2.680 20 0 CFADRP CC(C)COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958905 778628100 /nfs/dbraw/zinc/62/81/00/778628100.db2.gz LTXLNBUHTXKWAX-ALXJQNPVSA-N 2 0 288.435 2.891 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCCCC13CC3)CC[NH2+]C2 ZINC001235959429 778628481 /nfs/dbraw/zinc/62/84/81/778628481.db2.gz JLOAYVSJPVWOQR-UHFFFAOYSA-N 2 0 256.393 2.851 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(C)c1F ZINC001235958783 778628830 /nfs/dbraw/zinc/62/88/30/778628830.db2.gz DWIDYGUGEUQZCY-MIFYACCESA-N 2 0 262.372 2.612 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](CC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC001235960654 778629908 /nfs/dbraw/zinc/62/99/08/778629908.db2.gz WILUFSBLUWWGQW-ROUUACIJSA-N 2 0 288.435 2.635 20 0 CFADRP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CCC1C[NH2+]C1 ZINC001235962106 778630815 /nfs/dbraw/zinc/63/08/15/778630815.db2.gz LKXDQKPLMRRDLM-CVEARBPZSA-N 2 0 268.445 2.859 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001235973048 778634629 /nfs/dbraw/zinc/63/46/29/778634629.db2.gz KJPCDZJJPURESY-HNNXBMFYSA-N 2 0 282.815 2.922 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[NH+]2CCC3(CC[C@H](F)C3)CC2)CO1 ZINC001235985357 778641100 /nfs/dbraw/zinc/64/11/00/778641100.db2.gz KGQQLMJRXJMHQK-KBPBESRZSA-N 2 0 284.419 2.705 20 0 CFADRP c1cc(C[NH+]2CC3(C2)CCCCC3)cc(N2CC[NH2+]CC2)c1 ZINC001235994766 778645541 /nfs/dbraw/zinc/64/55/41/778645541.db2.gz XETDPAKOQORBJV-UHFFFAOYSA-N 2 0 299.462 2.862 20 0 CFADRP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@@H+](CC2CCCC2)C3)cc1 ZINC001236005629 778650601 /nfs/dbraw/zinc/65/06/01/778650601.db2.gz LPMQYIPGINTFSZ-MSOLQXFVSA-N 2 0 270.420 2.650 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001236007513 778651815 /nfs/dbraw/zinc/65/18/15/778651815.db2.gz DPADRVXFDGDTJJ-HNNXBMFYSA-N 2 0 264.388 2.819 20 0 CFADRP Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1C ZINC001236009938 778653729 /nfs/dbraw/zinc/65/37/29/778653729.db2.gz ZRRWIXLRRQEEOS-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001236067603 778679206 /nfs/dbraw/zinc/67/92/06/778679206.db2.gz QMINUSCBWXJCRW-AWEZNQCLSA-N 2 0 258.409 2.607 20 0 CFADRP CC[NH2+]CCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001236089171 778686430 /nfs/dbraw/zinc/68/64/30/778686430.db2.gz QIPDGLJIKZWPEB-UHFFFAOYSA-N 2 0 297.446 2.567 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC001236092086 778687490 /nfs/dbraw/zinc/68/74/90/778687490.db2.gz GENWTEBPMBRATH-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168372098 778691224 /nfs/dbraw/zinc/69/12/24/778691224.db2.gz TURVPEIPZXIGAL-UHFFFAOYSA-N 3 0 293.499 2.571 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2-n2cccc2)CCC[NH2+]1 ZINC001236100505 778692939 /nfs/dbraw/zinc/69/29/39/778692939.db2.gz KGFORNGZKLJSGJ-HNNXBMFYSA-N 2 0 269.392 2.661 20 0 CFADRP CCCC[C@@H]1CN(CC2(C[NH+](C)C)CCCC2)CC[NH2+]1 ZINC001236135416 778708787 /nfs/dbraw/zinc/70/87/87/778708787.db2.gz OHPNQTVTOBYXBM-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@]1(CF)CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374365 778708927 /nfs/dbraw/zinc/70/89/27/778708927.db2.gz ZXFXQYKPAPDVQB-HNNXBMFYSA-N 2 0 254.393 2.542 20 0 CFADRP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001236191007 778732022 /nfs/dbraw/zinc/73/20/22/778732022.db2.gz IZKSMUUVIKXKEM-KBXCAEBGSA-N 2 0 299.418 2.683 20 0 CFADRP C[NH2+]C1CCC([N@H+](C)Cc2c(F)ccc(N)c2F)CC1 ZINC001236213368 778738705 /nfs/dbraw/zinc/73/87/05/778738705.db2.gz QJPMWXRZYZUAMH-UHFFFAOYSA-N 2 0 283.366 2.509 20 0 CFADRP [NH3+]C1CCC([N@H+](CCCCCO)Cc2ccccc2)CC1 ZINC001236227818 778746166 /nfs/dbraw/zinc/74/61/66/778746166.db2.gz MRLZWSBMEYSKPO-UHFFFAOYSA-N 2 0 290.451 2.921 20 0 CFADRP C(C1CC1)[NH+]1CCC(N2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001168378142 778746855 /nfs/dbraw/zinc/74/68/55/778746855.db2.gz LSRVHWVXMCJPPY-HOTGVXAUSA-N 2 0 262.441 2.983 20 0 CFADRP c1cc([C@@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC001168380434 778752442 /nfs/dbraw/zinc/75/24/42/778752442.db2.gz SMDAKWXCGBKJSX-QGZVFWFLSA-N 2 0 285.435 2.745 20 0 CFADRP CCC[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)CC(C)C ZINC001236266201 778757665 /nfs/dbraw/zinc/75/76/65/778757665.db2.gz ZWNZMFIHDNICTE-UHFFFAOYSA-N 2 0 289.467 2.964 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288275 778761828 /nfs/dbraw/zinc/76/18/28/778761828.db2.gz YJQPPTNJRVKSPS-GDBMZVCRSA-N 2 0 258.409 2.897 20 0 CFADRP CC[N@@H+](CCc1ccc(OC)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC001236303932 778769028 /nfs/dbraw/zinc/76/90/28/778769028.db2.gz WEBFWQYQJWNIGM-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP c1cc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2[nH]1 ZINC001236314405 778774051 /nfs/dbraw/zinc/77/40/51/778774051.db2.gz DBPPQBANTWNOMJ-IYBDPMFKSA-N 2 0 269.392 2.599 20 0 CFADRP CCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314650 778774509 /nfs/dbraw/zinc/77/45/09/778774509.db2.gz QWKSKKGKOZNKKR-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1F ZINC001236316491 778775196 /nfs/dbraw/zinc/77/51/96/778775196.db2.gz SZMJBDMHYZAFOJ-PHIMTYICSA-N 2 0 284.325 2.535 20 0 CFADRP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cs1 ZINC001236315757 778775417 /nfs/dbraw/zinc/77/54/17/778775417.db2.gz NELVQGWTEIASNT-BETUJISGSA-N 2 0 279.453 2.698 20 0 CFADRP c1ccc2c(c1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168391602 778775822 /nfs/dbraw/zinc/77/58/22/778775822.db2.gz MEZOOTQFCOPJMM-UHFFFAOYSA-N 2 0 284.447 2.962 20 0 CFADRP COc1c(C)ccc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320796 778777265 /nfs/dbraw/zinc/77/72/65/778777265.db2.gz GMZRVOPRDLXLFK-OKILXGFUSA-N 2 0 292.398 2.574 20 0 CFADRP Fc1cc(F)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1 ZINC001236320619 778777551 /nfs/dbraw/zinc/77/75/51/778777551.db2.gz RRSTXYMKSSKBCB-PHIMTYICSA-N 2 0 284.325 2.535 20 0 CFADRP CCN1CCc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc21 ZINC001236321613 778778856 /nfs/dbraw/zinc/77/88/56/778778856.db2.gz NMARTSPJDHPMIJ-HDICACEKSA-N 2 0 299.462 2.500 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(F)c1F ZINC001236322131 778779504 /nfs/dbraw/zinc/77/95/04/778779504.db2.gz QOMSXYANSIIYIU-OKILXGFUSA-N 2 0 280.362 2.705 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)cc1F ZINC001236322491 778779567 /nfs/dbraw/zinc/77/95/67/778779567.db2.gz YWEVXFKWQICJRC-BETUJISGSA-N 2 0 280.362 2.705 20 0 CFADRP [NH3+][C@H]1CCc2c1cccc2-c1cccc2c1CC[NH2+]C2 ZINC001236359395 778790722 /nfs/dbraw/zinc/79/07/22/778790722.db2.gz NEVRLWHOHYPJKA-SFHVURJKSA-N 2 0 264.372 2.945 20 0 CFADRP CC(C)[N@H+](CCC[NH3+])[C@@H]1CCc2cc(F)ccc2C1 ZINC001168399897 778797989 /nfs/dbraw/zinc/79/79/89/778797989.db2.gz FHKGGDGELUQBAG-MRXNPFEDSA-N 2 0 264.388 2.742 20 0 CFADRP CCOc1cc(C[N@H+](CC)C[C@H]2CC[NH2+]C2)ccc1C ZINC001236411524 778806455 /nfs/dbraw/zinc/80/64/55/778806455.db2.gz NDOMBMUWMLFVDD-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccccc2CC[NH3+])c1 ZINC001236423861 778818694 /nfs/dbraw/zinc/81/86/94/778818694.db2.gz FIINRJIYQCLVQW-UHFFFAOYSA-N 2 0 254.377 2.916 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H](C)[NH2+][C@@H](C)C3)cc21 ZINC001236426034 778821897 /nfs/dbraw/zinc/82/18/97/778821897.db2.gz YACMXVQDJZIROZ-GJZGRUSLSA-N 2 0 299.462 2.870 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2cc3c(nn2)CC[NH2+]C3)cc1 ZINC001236427815 778822541 /nfs/dbraw/zinc/82/25/41/778822541.db2.gz HLIRXIBYDZZJEQ-UHFFFAOYSA-N 2 0 296.418 2.535 20 0 CFADRP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2CC[C@@H]2C[NH2+]CCO2)c1 ZINC001236427990 778822875 /nfs/dbraw/zinc/82/28/75/778822875.db2.gz FPYHRWDHAZGDHL-MSOLQXFVSA-N 2 0 288.435 2.819 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC001236434334 778828127 /nfs/dbraw/zinc/82/81/27/778828127.db2.gz OUDZAHDWFKSQRB-HNNXBMFYSA-N 2 0 288.435 2.833 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2c[nH+]ccc2N)cc1 ZINC001236436786 778829002 /nfs/dbraw/zinc/82/90/02/778829002.db2.gz LKJOPCPKMASFIP-UHFFFAOYSA-N 2 0 255.365 2.907 20 0 CFADRP CC(C)(C)CN(CC[C@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001236458048 778834627 /nfs/dbraw/zinc/83/46/27/778834627.db2.gz PXEQWRLRZHBIOV-OAHLLOKOSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236473386 778839919 /nfs/dbraw/zinc/83/99/19/778839919.db2.gz HSHZDXOYZZIXEQ-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCC2)C[C@@H]2CCCCN2)CC1 ZINC001236542684 778871390 /nfs/dbraw/zinc/87/13/90/778871390.db2.gz ZSUXVPRUCVUCEM-ULQDDVLXSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCC[NH2+]2)CC2CC2)CC1 ZINC001236553568 778875227 /nfs/dbraw/zinc/87/52/27/778875227.db2.gz ZFUSZTLVRGDOEQ-ULQDDVLXSA-N 3 0 279.472 2.501 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555653 778875524 /nfs/dbraw/zinc/87/55/24/778875524.db2.gz LMKZTJQXUXUWIE-IYARVYRRSA-N 3 0 289.467 2.676 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001236566108 778877747 /nfs/dbraw/zinc/87/77/47/778877747.db2.gz BSUOMFJZCBOMTO-JFIYKMOQSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001236604856 778890926 /nfs/dbraw/zinc/89/09/26/778890926.db2.gz QDDBLHWVFMTSJF-QGZVFWFLSA-N 2 0 258.409 2.736 20 0 CFADRP [NH3+]CCCCCCN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646668 778902031 /nfs/dbraw/zinc/90/20/31/778902031.db2.gz HVGWUNNKLYBWJU-INIZCTEOSA-N 2 0 267.461 2.502 20 0 CFADRP C(CN([C@H]1CC[NH2+]C1)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC001236648391 778903654 /nfs/dbraw/zinc/90/36/54/778903654.db2.gz RDJCPAHXCAKMRX-WBVHZDCISA-N 2 0 279.472 2.515 20 0 CFADRP c1[nH+]cn2c1cccc2CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236662619 778906739 /nfs/dbraw/zinc/90/67/39/778906739.db2.gz LHDJYJXKBMIRLL-QGZVFWFLSA-N 2 0 298.434 2.831 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236715596 778920850 /nfs/dbraw/zinc/92/08/50/778920850.db2.gz WAODYYCGINKICI-IYARVYRRSA-N 3 0 289.467 2.676 20 0 CFADRP CC[NH2+]CCN(Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236727703 778921540 /nfs/dbraw/zinc/92/15/40/778921540.db2.gz YJHFDMBYRZSMKP-IYARVYRRSA-N 2 0 289.467 2.676 20 0 CFADRP CN1CCC[C@H]2C[N@H+](Cc3cccc4occc43)C[C@H]21 ZINC001236737315 778925276 /nfs/dbraw/zinc/92/52/76/778925276.db2.gz DEENSBBSQNZTFP-GOEBONIOSA-N 2 0 270.376 2.959 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC001236832636 778957792 /nfs/dbraw/zinc/95/77/92/778957792.db2.gz WHHDPRFHOWYDLH-YESZJQIVSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833472 778958923 /nfs/dbraw/zinc/95/89/23/778958923.db2.gz BXGQQUQQKMUNHK-OAHLLOKOSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236835397 778959407 /nfs/dbraw/zinc/95/94/07/778959407.db2.gz NAPGIRKDHUTBHY-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[N@@H+](Cc1cccc(OCC)c1)C[C@H]1CC[NH2+]C1 ZINC001236833860 778959632 /nfs/dbraw/zinc/95/96/32/778959632.db2.gz CUNUOBNLOFJYKI-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC001236836928 778960930 /nfs/dbraw/zinc/96/09/30/778960930.db2.gz ZHSQQCYFZOMFGE-HNNXBMFYSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cccc(O[C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)n1 ZINC001236846127 778963685 /nfs/dbraw/zinc/96/36/85/778963685.db2.gz BUDDFSBLSLSOAR-MRXNPFEDSA-N 2 0 291.439 2.752 20 0 CFADRP CCC[N@@H+](Cc1cccc2c1CCC2)C[C@H]1CC[NH2+]C1 ZINC001236845054 778963720 /nfs/dbraw/zinc/96/37/20/778963720.db2.gz YLHGFBDLOJDTGU-HNNXBMFYSA-N 2 0 272.436 2.997 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1ccc(OC)c(C(C)C)c1 ZINC001236868820 778968586 /nfs/dbraw/zinc/96/85/86/778968586.db2.gz PSXNJZPKMWKPKH-AWEZNQCLSA-N 2 0 264.413 2.988 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCCC3(C)C)c2)CC1 ZINC001236888207 778973981 /nfs/dbraw/zinc/97/39/81/778973981.db2.gz XQABMXBJUHNDSS-UHFFFAOYSA-N 2 0 287.451 2.813 20 0 CFADRP C[NH+]1CCN(c2cccc(C[NH+]3CC4(C3)CCCC4)c2)CC1 ZINC001236887575 778974041 /nfs/dbraw/zinc/97/40/41/778974041.db2.gz OBPRDLMKLUIMCP-UHFFFAOYSA-N 2 0 299.462 2.814 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CC4CCC3CC4)c2)CC1 ZINC001236888261 778974121 /nfs/dbraw/zinc/97/41/21/778974121.db2.gz AKZFOJNDAXNNDK-UHFFFAOYSA-N 2 0 299.462 2.813 20 0 CFADRP CC[C@H](C)[N@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236891330 778975454 /nfs/dbraw/zinc/97/54/54/778975454.db2.gz JHMZCCSMKDQECQ-HNNXBMFYSA-N 2 0 275.440 2.669 20 0 CFADRP C[NH+](C)CCN(CC1(C)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001236922101 778980913 /nfs/dbraw/zinc/98/09/13/778980913.db2.gz DDGBGDJAUUTNAE-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)=CCC[C@H](C)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236925023 778982708 /nfs/dbraw/zinc/98/27/08/778982708.db2.gz VTGIRXNONZGETL-ROUUACIJSA-N 2 0 295.515 2.985 20 0 CFADRP CN(C)c1cccc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237153016 779027281 /nfs/dbraw/zinc/02/72/81/779027281.db2.gz AVULJAHJPBBGMT-GOSISDBHSA-N 2 0 287.451 2.859 20 0 CFADRP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCCC[NH3+] ZINC001237188125 779042060 /nfs/dbraw/zinc/04/20/60/779042060.db2.gz NEXFVZCSOJDMLV-LLVKDONJSA-N 2 0 297.240 2.935 20 0 CFADRP CC1(C)N[C@@H](CC[N@@H+]2CCC3(C2)CCCCC3)CO1 ZINC001237204066 779049124 /nfs/dbraw/zinc/04/91/24/779049124.db2.gz KHWMNTJMVAWMGX-AWEZNQCLSA-N 2 0 266.429 2.757 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168438454 779075302 /nfs/dbraw/zinc/07/53/02/779075302.db2.gz MWJKFLBFOQVYLF-SFHVURJKSA-N 2 0 290.426 2.957 20 0 CFADRP [NH3+][C@H]1CCC12CC[NH+](Cc1ccc3c(c1)NCCC3)CC2 ZINC001237359015 779083666 /nfs/dbraw/zinc/08/36/66/779083666.db2.gz LWAUAJPRIABMQT-KRWDZBQOSA-N 2 0 285.435 2.748 20 0 CFADRP Fc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237373996 779084421 /nfs/dbraw/zinc/08/44/21/779084421.db2.gz AJUWHUXRIVUUKD-DOTOQJQBSA-N 2 0 276.399 2.832 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1C ZINC001237379262 779086103 /nfs/dbraw/zinc/08/61/03/779086103.db2.gz ACJMTWSCEGWQDN-WBVHZDCISA-N 2 0 288.435 2.886 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382167 779087209 /nfs/dbraw/zinc/08/72/09/779087209.db2.gz LZDZSFGRISHFOX-IAGOWNOFSA-N 2 0 288.435 2.702 20 0 CFADRP c1cc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2[nH]1 ZINC001237381168 779087576 /nfs/dbraw/zinc/08/75/76/779087576.db2.gz IEZRZBZOZIZTQX-JKSUJKDBSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237384171 779089969 /nfs/dbraw/zinc/08/99/69/779089969.db2.gz VELBFOBMUQGLQP-HOCLYGCPSA-N 2 0 262.397 2.595 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)c4cccnc34)C[C@@H]2C1 ZINC001237425525 779105812 /nfs/dbraw/zinc/10/58/12/779105812.db2.gz NMDDBDFIWLCXFO-HIFRSBDPSA-N 2 0 299.393 2.757 20 0 CFADRP CCc1n[nH]cc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001237651175 779156225 /nfs/dbraw/zinc/15/62/25/779156225.db2.gz MUDUXEIDDRJLGG-UHFFFAOYSA-N 2 0 278.444 2.524 20 0 CFADRP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c2c1 ZINC001205093509 779161216 /nfs/dbraw/zinc/16/12/16/779161216.db2.gz BFSVMMGYGPBSEH-CQSZACIVSA-N 2 0 257.381 2.790 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001168453202 779179601 /nfs/dbraw/zinc/17/96/01/779179601.db2.gz ALNOEWGFWWABJI-TUKIKUTGSA-N 2 0 250.361 2.616 20 0 CFADRP COc1ccoc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001237873068 779198086 /nfs/dbraw/zinc/19/80/86/779198086.db2.gz BJVAAGONHUQBDS-UHFFFAOYSA-N 2 0 278.396 2.596 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C)C3(C)COC3)cc21 ZINC001237884753 779200112 /nfs/dbraw/zinc/20/01/12/779200112.db2.gz FBINJJKJBSAEOA-UHFFFAOYSA-N 2 0 286.419 2.909 20 0 CFADRP Cc1sccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001237969422 779218686 /nfs/dbraw/zinc/21/86/86/779218686.db2.gz WRCPEYRPBXWLGY-UHFFFAOYSA-N 2 0 250.411 2.584 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001168467475 779223527 /nfs/dbraw/zinc/22/35/27/779223527.db2.gz JYVRJSXKLFCOLW-AWEZNQCLSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699264506 779229505 /nfs/dbraw/zinc/22/95/05/779229505.db2.gz SBVHXBSLVBRETK-LYNDAMRFSA-N 2 0 250.430 2.883 20 0 CFADRP FC(F)(F)[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699305756 779240994 /nfs/dbraw/zinc/24/09/94/779240994.db2.gz RCOFDJVMCZOQIH-FOIKRFTLSA-N 2 0 276.346 2.791 20 0 CFADRP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124027 779270483 /nfs/dbraw/zinc/27/04/83/779270483.db2.gz IZIQMYBFGFLWNU-OAHLLOKOSA-N 2 0 262.397 2.625 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238210063 779282127 /nfs/dbraw/zinc/28/21/27/779282127.db2.gz NGWHVMRHVVNJPM-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP Cc1ccc([C@@H](C)CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC001205131384 779287111 /nfs/dbraw/zinc/28/71/11/779287111.db2.gz WZIRRHXNRRGZAX-SGMGOOAPSA-N 2 0 250.386 2.608 20 0 CFADRP C[C@H]1C[N@H+](CCCc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC001205131255 779287930 /nfs/dbraw/zinc/28/79/30/779287930.db2.gz VUIVFAVHJXSIPV-GXTWGEPZSA-N 2 0 266.816 2.799 20 0 CFADRP C(C[NH+]1CCCCC1)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232084 779331797 /nfs/dbraw/zinc/33/17/97/779331797.db2.gz GXYFLYWWEGVZQY-SFHVURJKSA-N 3 0 293.499 2.717 20 0 CFADRP CC1=C[C@@H](C)[C@H](C[N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001235433622 779352931 /nfs/dbraw/zinc/35/29/31/779352931.db2.gz LAZPGUNJDFYAIY-ZBFHGGJFSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001168498202 779357847 /nfs/dbraw/zinc/35/78/47/779357847.db2.gz QZAFRXMMCXIDAV-WMLDXEAASA-N 2 0 276.399 2.784 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2c[nH+]cc3cc[nH]c32)cn1 ZINC001239208122 779471622 /nfs/dbraw/zinc/47/16/22/779471622.db2.gz QMJTYRGKIWMEDF-UHFFFAOYSA-N 2 0 283.379 2.768 20 0 CFADRP C[C@@H]([NH3+])c1ccccc1-c1ccc(CN2CCOCC2)nc1 ZINC001239597969 779649279 /nfs/dbraw/zinc/64/92/79/779649279.db2.gz MCSJMYBXLJOXCG-CQSZACIVSA-N 2 0 297.402 2.601 20 0 CFADRP c1cc(C[NH+]2CCCCC2)cc(-c2cc3c(nn2)C[NH2+]C3)c1 ZINC001240162018 779980440 /nfs/dbraw/zinc/98/04/40/779980440.db2.gz QURXEZMWMGADMA-UHFFFAOYSA-N 2 0 294.402 2.733 20 0 CFADRP C[C@H]([NH3+])c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001168601179 780031580 /nfs/dbraw/zinc/03/15/80/780031580.db2.gz LLXXZSYUMXLUKK-RCBQFDQVSA-N 2 0 261.413 2.991 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCC(C)C ZINC001168614203 780060881 /nfs/dbraw/zinc/06/08/81/780060881.db2.gz DRZOXBPDDUBYGT-UHFFFAOYSA-N 2 0 299.503 2.641 20 0 CFADRP C[NH2+]Cc1cc(-c2ccc(C[NH2+]C(C)(C)C)cc2)ncn1 ZINC001240366937 780116501 /nfs/dbraw/zinc/11/65/01/780116501.db2.gz WYYSVEFFEZMMEV-UHFFFAOYSA-N 2 0 284.407 2.751 20 0 CFADRP c1cc2c(c(-c3ccc4c(c3)CC[NH2+]C4)c1)C[NH2+]C2 ZINC001240456767 780178478 /nfs/dbraw/zinc/17/84/78/780178478.db2.gz OPXCFJLYMZMLLY-UHFFFAOYSA-N 2 0 250.345 2.603 20 0 CFADRP c1nc2cc(C3=CC[NH2+]CC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001240468516 780185953 /nfs/dbraw/zinc/18/59/53/780185953.db2.gz SRHZANYCHILCLD-MRXNPFEDSA-N 2 0 296.418 2.728 20 0 CFADRP CC[NH+](CC)Cc1cc(OC)ccc1C1=CC[NH2+]CC1 ZINC001240470438 780187344 /nfs/dbraw/zinc/18/73/44/780187344.db2.gz HKTDWWTUQMQRGU-UHFFFAOYSA-N 2 0 274.408 2.914 20 0 CFADRP CCn1nccc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001240710663 780381186 /nfs/dbraw/zinc/38/11/86/780381186.db2.gz PUSAIBPVIJNFKI-UHFFFAOYSA-N 2 0 298.434 2.741 20 0 CFADRP Clc1cccc2c1C[C@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001168702457 780411004 /nfs/dbraw/zinc/41/10/04/780411004.db2.gz UMTHPTNLTLYLDC-CQSZACIVSA-N 2 0 290.838 2.883 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C12CCC2 ZINC000453184163 780420305 /nfs/dbraw/zinc/42/03/05/780420305.db2.gz ZPMBQGXTKUHVPI-BRWVUGGUSA-N 2 0 294.483 2.902 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422753900 780433529 /nfs/dbraw/zinc/43/35/29/780433529.db2.gz IZJBCBAUYBBSPC-YYUOFMGYSA-N 2 0 280.456 2.546 20 0 CFADRP CC[NH+](CC)Cc1ccncc1C=C1CC[NH2+]CC1 ZINC001240879266 780497354 /nfs/dbraw/zinc/49/73/54/780497354.db2.gz NAEXRPYUSTUCBX-UHFFFAOYSA-N 2 0 259.397 2.690 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000700822063 780727366 /nfs/dbraw/zinc/72/73/66/780727366.db2.gz BAFMZQOUOGOLMH-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@H+]1CC=C(c2ccc(OC3CC[NH2+]CC3)cc2)CC1 ZINC001241322545 780782188 /nfs/dbraw/zinc/78/21/88/780782188.db2.gz PIGAZYMVGLCOBR-UHFFFAOYSA-N 2 0 272.392 2.536 20 0 CFADRP Cc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)c(F)c1 ZINC001241354022 780803758 /nfs/dbraw/zinc/80/37/58/780803758.db2.gz ZFUWFCRKCJVNOA-UHFFFAOYSA-N 2 0 271.339 2.606 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000702001881 780867021 /nfs/dbraw/zinc/86/70/21/780867021.db2.gz GNCYTFNFMZSLHC-LSDHHAIUSA-N 2 0 273.405 2.856 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c2c(c1)C[NH2+]CC2 ZINC000704281288 781094643 /nfs/dbraw/zinc/09/46/43/781094643.db2.gz WDDZYGALQUVBPE-CVEARBPZSA-N 2 0 288.460 2.802 20 0 CFADRP CC[NH+]1CCN(c2ccc(-c3[nH+]ccc(N)c3C)cc2)CC1 ZINC001241741195 781105414 /nfs/dbraw/zinc/10/54/14/781105414.db2.gz YEKWJDJJZYIVKA-UHFFFAOYSA-N 2 0 296.418 2.781 20 0 CFADRP c1nn(C2CC[NH2+]CC2)cc1-c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001241777894 781125282 /nfs/dbraw/zinc/12/52/82/781125282.db2.gz VERDJOUDUIJPEA-MRXNPFEDSA-N 2 0 296.418 2.552 20 0 CFADRP C[NH+](C)CCCOc1ccc(-c2ccc(C[NH3+])cc2)cn1 ZINC001241915199 781178908 /nfs/dbraw/zinc/17/89/08/781178908.db2.gz SHLRDIBPVZYBIU-UHFFFAOYSA-N 2 0 285.391 2.538 20 0 CFADRP C[C@@H]([NH3+])c1cccc(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001241980915 781214664 /nfs/dbraw/zinc/21/46/64/781214664.db2.gz IQHOXDUPDQBBCZ-OAHLLOKOSA-N 2 0 295.430 2.779 20 0 CFADRP C[NH+](C)CCOc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC001242027487 781241089 /nfs/dbraw/zinc/24/10/89/781241089.db2.gz CICPZGYJBNDEJH-CABCVRRESA-N 2 0 290.382 2.674 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242150550 781302891 /nfs/dbraw/zinc/30/28/91/781302891.db2.gz SUXPHJJZRWEBHQ-UHFFFAOYSA-N 2 0 282.387 2.897 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C[NH3+] ZINC000709755245 781307369 /nfs/dbraw/zinc/30/73/69/781307369.db2.gz NIFCGWMZMINUHQ-CBBWQLFWSA-N 2 0 282.472 2.885 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCc3ccccc3C1)[NH2+]2 ZINC000709388418 781310318 /nfs/dbraw/zinc/31/03/18/781310318.db2.gz PPMZBRCRSOFAID-COWMOVNHSA-N 2 0 270.420 2.663 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)S3)[NH2+]2 ZINC000709451400 781311441 /nfs/dbraw/zinc/31/14/41/781311441.db2.gz MZHSMDYIZMCAPF-VBUQHDRCSA-N 2 0 266.454 2.532 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccns1 ZINC000709774889 781311931 /nfs/dbraw/zinc/31/19/31/781311931.db2.gz IYTLABBQHKXYLZ-STQMWFEESA-N 2 0 267.442 2.586 20 0 CFADRP C[N@H+](CCCCCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000710760931 781337833 /nfs/dbraw/zinc/33/78/33/781337833.db2.gz VKSHQTQXUWQHJT-QGZVFWFLSA-N 2 0 260.425 2.995 20 0 CFADRP COc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1C ZINC000710835083 781340540 /nfs/dbraw/zinc/34/05/40/781340540.db2.gz RWBKXQXZCMTTSU-UHFFFAOYSA-N 2 0 264.413 2.955 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710666223 781346248 /nfs/dbraw/zinc/34/62/48/781346248.db2.gz WILVVFVNRSTJOB-OAHLLOKOSA-N 2 0 270.461 2.591 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711841218 781476016 /nfs/dbraw/zinc/47/60/16/781476016.db2.gz POUOWYBTSCHAQZ-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP c1cnc(-c2ccc3c(c2)C[NH2+]C3)c(C[NH+]2CCCC2)c1 ZINC001242677002 781692966 /nfs/dbraw/zinc/69/29/66/781692966.db2.gz WXVCCKATJFDNHU-UHFFFAOYSA-N 2 0 279.387 2.948 20 0 CFADRP [NH3+]Cc1ccc(C2=CC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC001242692783 781699830 /nfs/dbraw/zinc/69/98/30/781699830.db2.gz NLFLUENHLGKZNW-INIZCTEOSA-N 2 0 257.381 2.572 20 0 CFADRP C[N@H+](CCCn1ccnc1)Cc1ccc(-n2ccnc2)cc1 ZINC000124342962 187133107 /nfs/dbraw/zinc/13/31/07/187133107.db2.gz IHPZSKWJVAUBRQ-UHFFFAOYSA-N 2 0 295.390 2.591 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000353251885 282084107 /nfs/dbraw/zinc/08/41/07/282084107.db2.gz RBLYLDCKELCCMP-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397125 282090149 /nfs/dbraw/zinc/09/01/49/282090149.db2.gz MNYFJVGAWBKSBV-HZPDHXFCSA-N 2 0 298.434 2.607 20 0 CFADRP C[C@H](CC[NH2+]CC1=CCCOC1)[N@H+](C)Cc1ccccc1 ZINC000127675757 187325745 /nfs/dbraw/zinc/32/57/45/187325745.db2.gz XYPGANZDYWKKIE-MRXNPFEDSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1C ZINC000127750412 187331288 /nfs/dbraw/zinc/33/12/88/187331288.db2.gz LWHVNCWKBVVZKF-IUODEOHRSA-N 2 0 289.398 2.922 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595011953 349549318 /nfs/dbraw/zinc/54/93/18/349549318.db2.gz DKHZOXMIYNKVLJ-ZDUSSCGKSA-N 2 0 276.465 2.932 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595013847 349550156 /nfs/dbraw/zinc/55/01/56/349550156.db2.gz UBWXTUCZZWDRMT-AWEZNQCLSA-N 2 0 298.471 2.676 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000595004825 349543795 /nfs/dbraw/zinc/54/37/95/349543795.db2.gz UKNNOHCJJIJOKX-HNNXBMFYSA-N 2 0 298.471 2.820 20 0 CFADRP C[C@H](CSCCF)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000595052570 349565875 /nfs/dbraw/zinc/56/58/75/349565875.db2.gz RUVYCFARPFQKCW-LLVKDONJSA-N 2 0 267.373 2.515 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000595064584 349572556 /nfs/dbraw/zinc/57/25/56/349572556.db2.gz CKKLBOWDCXUQRE-RRFJBIMHSA-N 2 0 282.497 2.982 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125337602 187180089 /nfs/dbraw/zinc/18/00/89/187180089.db2.gz NAGYWFSFJVEXRM-BBWFWOEESA-N 2 0 258.409 2.863 20 0 CFADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423170546 529389771 /nfs/dbraw/zinc/38/97/71/529389771.db2.gz YCVMDJSOWAJNHR-OVYGPGRDSA-N 2 0 280.456 2.558 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000125494092 187187726 /nfs/dbraw/zinc/18/77/26/187187726.db2.gz ZMYFOOWLYUWMJY-OAHLLOKOSA-N 2 0 269.392 2.618 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CCC[NH+](C)C)cc1C ZINC000273133318 192052353 /nfs/dbraw/zinc/05/23/53/192052353.db2.gz CEIKUDFNPGESQJ-AWEZNQCLSA-N 2 0 264.413 2.914 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CCC[NH+](C)C)cc1C ZINC000273133320 192053004 /nfs/dbraw/zinc/05/30/04/192053004.db2.gz CEIKUDFNPGESQJ-CQSZACIVSA-N 2 0 264.413 2.914 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414858036 529425935 /nfs/dbraw/zinc/42/59/35/529425935.db2.gz HMZMZFWLYBICCF-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449167457 282190485 /nfs/dbraw/zinc/19/04/85/282190485.db2.gz ALOLUFCMEIECAB-RBSFLKMASA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000070171509 346907133 /nfs/dbraw/zinc/90/71/33/346907133.db2.gz OKDHXHFCZZIJIL-KBPBESRZSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414821268 529540105 /nfs/dbraw/zinc/54/01/05/529540105.db2.gz ASPTXPHYZDRWNX-IRXDYDNUSA-N 2 0 260.425 2.905 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414898725 529544974 /nfs/dbraw/zinc/54/49/74/529544974.db2.gz BXQKACRAUMZUMB-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H](C)CCC[NH3+])c[nH]c21 ZINC000422914403 529554828 /nfs/dbraw/zinc/55/48/28/529554828.db2.gz UALBIJJLSVHHBV-CYBMUJFWSA-N 2 0 273.424 2.990 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])c[nH]c21 ZINC000422912593 529554847 /nfs/dbraw/zinc/55/48/47/529554847.db2.gz NMCZPIWGTGKASL-YOEHRIQHSA-N 2 0 285.435 2.990 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422834464 282194633 /nfs/dbraw/zinc/19/46/33/282194633.db2.gz HLLJXUNBCZJAEC-OBVSXPTNSA-N 3 0 293.499 2.760 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(F)c1 ZINC000423396849 529591517 /nfs/dbraw/zinc/59/15/17/529591517.db2.gz BKZYJIKJQMXMQG-INIZCTEOSA-N 2 0 294.414 2.883 20 0 CFADRP CC[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422729046 529606269 /nfs/dbraw/zinc/60/62/69/529606269.db2.gz HHTHKORDNONXBC-RDJZCZTQSA-N 2 0 271.408 2.831 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423246029 529606340 /nfs/dbraw/zinc/60/63/40/529606340.db2.gz JQMRYMWHWKDCSD-DOMZBBRYSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccccc1OC(F)F ZINC000423295019 529610196 /nfs/dbraw/zinc/61/01/96/529610196.db2.gz DGMGBQXIUUYYRR-JQWIXIFHSA-N 2 0 272.339 2.924 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C)c1ccc(OC(F)F)cc1 ZINC000423191193 529598271 /nfs/dbraw/zinc/59/82/71/529598271.db2.gz SJPHJENXGOAOSG-ZDUSSCGKSA-N 2 0 272.339 2.938 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cnn(C)c1 ZINC000423292997 529629625 /nfs/dbraw/zinc/62/96/25/529629625.db2.gz PHDYKCGZEDXJLL-LRDDRELGSA-N 2 0 272.396 2.681 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cnn(C)c1 ZINC000423292999 529629694 /nfs/dbraw/zinc/62/96/94/529629694.db2.gz PHDYKCGZEDXJLL-WBMJQRKESA-N 2 0 272.396 2.681 20 0 CFADRP CCc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422766503 529630192 /nfs/dbraw/zinc/63/01/92/529630192.db2.gz XLYCGJFHGZMJDE-UHFFFAOYSA-N 2 0 260.425 2.899 20 0 CFADRP CC[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423096261 529614469 /nfs/dbraw/zinc/61/44/69/529614469.db2.gz OLFUXFZPABTJGK-BZSNNMDCSA-N 2 0 293.499 2.904 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423279398 529618031 /nfs/dbraw/zinc/61/80/31/529618031.db2.gz SJMREMFQIDFMGU-DOMZBBRYSA-N 2 0 250.386 2.591 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000422867179 529657930 /nfs/dbraw/zinc/65/79/30/529657930.db2.gz RTFLGOIOJFVQHM-RISCZKNCSA-N 2 0 252.427 2.788 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000422763362 529664990 /nfs/dbraw/zinc/66/49/90/529664990.db2.gz NIPVVZUMCDSXAT-JMSVASOKSA-N 2 0 250.386 2.862 20 0 CFADRP C[C@H](CSCCF)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596093991 349792922 /nfs/dbraw/zinc/79/29/22/349792922.db2.gz FXQIIJXPJJHKNH-HIFRSBDPSA-N 2 0 288.476 2.789 20 0 CFADRP CCc1cnccc1[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423014219 529677489 /nfs/dbraw/zinc/67/74/89/529677489.db2.gz HVSMOQQZDWBKQO-DNOWBOINSA-N 2 0 261.413 2.812 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000423042351 282247422 /nfs/dbraw/zinc/24/74/22/282247422.db2.gz KSSXNYHNBUWVCI-JJXSEGSLSA-N 2 0 268.445 2.687 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000422772015 282248650 /nfs/dbraw/zinc/24/86/50/282248650.db2.gz XVHWLTCHTUOCQI-APHBMKBZSA-N 2 0 295.858 2.660 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230493478 282282074 /nfs/dbraw/zinc/28/20/74/282282074.db2.gz YNXKZHKAHMBMQG-OWCLPIDISA-N 2 0 262.397 2.518 20 0 CFADRP CCc1nc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cs1 ZINC000422701667 529746721 /nfs/dbraw/zinc/74/67/21/529746721.db2.gz CGHLOCPZQICBFO-UNXYVOJBSA-N 2 0 267.442 2.874 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127942355 187342490 /nfs/dbraw/zinc/34/24/90/187342490.db2.gz KAKGGLASGUKYFG-HYVNUMGLSA-N 2 0 288.435 2.930 20 0 CFADRP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422558455 529754542 /nfs/dbraw/zinc/75/45/42/529754542.db2.gz AQPRJCRGMZJRII-UTUOFQBUSA-N 2 0 267.442 2.511 20 0 CFADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2ccccc2n1 ZINC000422802828 529772732 /nfs/dbraw/zinc/77/27/32/529772732.db2.gz DZYGIBCJRDBZAF-CZUORRHYSA-N 2 0 298.434 2.518 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422914379 529794999 /nfs/dbraw/zinc/79/49/99/529794999.db2.gz TXVNLUIHYACYON-GVDBMIGSSA-N 2 0 287.451 2.763 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H]2CCC[C@H]21 ZINC000414347774 529807233 /nfs/dbraw/zinc/80/72/33/529807233.db2.gz NFFJSBGDGLWLEV-XPABHHOTSA-N 2 0 260.381 2.598 20 0 CFADRP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422804535 529917771 /nfs/dbraw/zinc/91/77/71/529917771.db2.gz FJJWUGQDGFWRNT-ZWKOTPCHSA-N 2 0 281.403 2.857 20 0 CFADRP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000120463973 539385265 /nfs/dbraw/zinc/38/52/65/539385265.db2.gz MKPAADHYQOVFER-YOEHRIQHSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423198149 529971581 /nfs/dbraw/zinc/97/15/81/529971581.db2.gz DKBFRAZIGYQRNV-AWEZNQCLSA-N 2 0 256.340 2.861 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414860941 529971191 /nfs/dbraw/zinc/97/11/91/529971191.db2.gz QWIFMQPAAASACQ-AWEZNQCLSA-N 2 0 291.439 2.726 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423205912 529971221 /nfs/dbraw/zinc/97/12/21/529971221.db2.gz WCXIKWBKURNASX-NSHDSACASA-N 2 0 268.426 2.677 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000423201638 529971298 /nfs/dbraw/zinc/97/12/98/529971298.db2.gz PIJSESMJGILRKH-CYBMUJFWSA-N 2 0 297.240 2.944 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414843936 529985134 /nfs/dbraw/zinc/98/51/34/529985134.db2.gz QTGJLFYBJSVFLW-NEPJUHHUSA-N 2 0 254.805 2.889 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414836913 529985171 /nfs/dbraw/zinc/98/51/71/529985171.db2.gz JTLDAFJZULXFDI-SNVBAGLBSA-N 2 0 276.302 2.530 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414829039 529985174 /nfs/dbraw/zinc/98/51/74/529985174.db2.gz AFQGQFCQFMLSIV-OAHLLOKOSA-N 2 0 299.418 2.606 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414839698 529985185 /nfs/dbraw/zinc/98/51/85/529985185.db2.gz MKAVLOVRBSSEDY-LLVKDONJSA-N 2 0 277.799 2.833 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423280998 529985505 /nfs/dbraw/zinc/98/55/05/529985505.db2.gz VFZHJORSUBHDHN-NEPJUHHUSA-N 2 0 252.427 2.915 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423256015 529985558 /nfs/dbraw/zinc/98/55/58/529985558.db2.gz BGLZGYOCYJZVDX-MNOVXSKESA-N 2 0 263.410 2.802 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000423278180 529985666 /nfs/dbraw/zinc/98/56/66/529985666.db2.gz QRRMLGXIMQDADW-NEPJUHHUSA-N 2 0 282.453 2.923 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423277281 529986405 /nfs/dbraw/zinc/98/64/05/529986405.db2.gz PPVKOJMDKLYVPV-WBMJQRKESA-N 2 0 262.397 2.518 20 0 CFADRP C[N@H+](Cc1cccc(OC2CCCC2)c1)C1CC([NH3+])C1 ZINC000414781208 529995481 /nfs/dbraw/zinc/99/54/81/529995481.db2.gz VNZAMLXNNVIIBK-UHFFFAOYSA-N 2 0 274.408 2.930 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414844961 529998792 /nfs/dbraw/zinc/99/87/92/529998792.db2.gz RYPDDIQFEXDUQO-VIFPVBQESA-N 2 0 278.293 2.790 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000414849732 529998851 /nfs/dbraw/zinc/99/88/51/529998851.db2.gz YLAGYAIKLDQSBZ-JTQLQIEISA-N 2 0 260.303 2.651 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414849747 529998891 /nfs/dbraw/zinc/99/88/91/529998891.db2.gz YMPFTZHAHDBOKX-STQMWFEESA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414836473 529998925 /nfs/dbraw/zinc/99/89/25/529998925.db2.gz JKLDMPRATDETNJ-AWEZNQCLSA-N 2 0 276.424 2.953 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423266546 530000219 /nfs/dbraw/zinc/00/02/19/530000219.db2.gz DGKCXSWTEGSGEK-NHYWBVRUSA-N 2 0 250.361 2.722 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000097862599 530001556 /nfs/dbraw/zinc/00/15/56/530001556.db2.gz WZQOPENKIGSOMT-MRXNPFEDSA-N 2 0 283.419 2.975 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000121110351 539400075 /nfs/dbraw/zinc/40/00/75/539400075.db2.gz QZWVHEYVTFYDDZ-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)s1 ZINC000226014997 539422328 /nfs/dbraw/zinc/42/23/28/539422328.db2.gz KFEFKIQCQNTADC-SMDDNHRTSA-N 2 0 252.427 2.870 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000336827355 282389558 /nfs/dbraw/zinc/38/95/58/282389558.db2.gz CHGGZMSLKAAMAW-HZPDHXFCSA-N 2 0 280.456 2.608 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(C)s1 ZINC000127365421 187300935 /nfs/dbraw/zinc/30/09/35/187300935.db2.gz WNPHIPCWUQQHCZ-GXTWGEPZSA-N 2 0 295.496 2.651 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246374138 282392304 /nfs/dbraw/zinc/39/23/04/282392304.db2.gz JPPGDAPXEAGVDD-MCYUEQNJSA-N 2 0 279.428 2.713 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)ccc2n1 ZINC000097862714 232182280 /nfs/dbraw/zinc/18/22/80/232182280.db2.gz FKDHNFDICAEESB-CXAGYDPISA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000089552288 539470237 /nfs/dbraw/zinc/47/02/37/539470237.db2.gz VYVPSZHNYUHPCL-LBPRGKRZSA-N 2 0 298.377 2.664 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000154570131 232226418 /nfs/dbraw/zinc/22/64/18/232226418.db2.gz OCRNRHCZIVWHGQ-WBVHZDCISA-N 2 0 260.425 3.000 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Cc1cccs1 ZINC000167447445 232260140 /nfs/dbraw/zinc/26/01/40/232260140.db2.gz YNOGIFJCEAADCF-MELADBBJSA-N 2 0 266.454 2.999 20 0 CFADRP Cc1cccnc1CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000295120611 199356022 /nfs/dbraw/zinc/35/60/22/199356022.db2.gz XHNNEMQMCMFFCF-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000123961527 539513426 /nfs/dbraw/zinc/51/34/26/539513426.db2.gz JKKHUOBZVGDCQP-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000668474541 539518420 /nfs/dbraw/zinc/51/84/20/539518420.db2.gz CCRRIXLBETVINM-SZMVWBNQSA-N 2 0 295.515 2.817 20 0 CFADRP c1ccc(C(c2ccccc2)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320603 539528077 /nfs/dbraw/zinc/52/80/77/539528077.db2.gz GEIOVLGODYHJOG-ROUUACIJSA-N 2 0 278.399 2.927 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000127579609 187316851 /nfs/dbraw/zinc/31/68/51/187316851.db2.gz HQSFXUWPVQVXMX-KBPBESRZSA-N 2 0 295.858 2.627 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CC[NH+](C)C)C[C@@H]1OC ZINC000344030975 282459827 /nfs/dbraw/zinc/45/98/27/282459827.db2.gz ZYRWKRAMAIRWOC-MCIONIFRSA-N 2 0 256.434 2.510 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649014 346332688 /nfs/dbraw/zinc/33/26/88/346332688.db2.gz FPPXGVLAMZQDPG-GDBMZVCRSA-N 2 0 288.435 2.700 20 0 CFADRP C[NH+]1CCN(C[C@H]([NH2+]CC(C)(C)C)c2ccccc2)CC1 ZINC000034064048 346315255 /nfs/dbraw/zinc/31/52/55/346315255.db2.gz HRFGWUHQWKDINZ-KRWDZBQOSA-N 2 0 289.467 2.611 20 0 CFADRP CCSC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000596650312 349968413 /nfs/dbraw/zinc/96/84/13/349968413.db2.gz HFCZZRNMWZZPOB-LLVKDONJSA-N 2 0 279.453 2.785 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000062708576 346690275 /nfs/dbraw/zinc/69/02/75/346690275.db2.gz VAWDOKDZSBQIGI-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP Clc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000334844065 282533164 /nfs/dbraw/zinc/53/31/64/282533164.db2.gz SOURZNJRAQROSJ-OAHLLOKOSA-N 2 0 264.800 2.917 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000090909537 347561829 /nfs/dbraw/zinc/56/18/29/347561829.db2.gz ZWZBLUNQWMIMIZ-MPGHIAIKSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000090919131 347562713 /nfs/dbraw/zinc/56/27/13/347562713.db2.gz DTAMLXWANMQUFQ-WBMJQRKESA-N 2 0 294.389 2.926 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000090456964 347550178 /nfs/dbraw/zinc/55/01/78/347550178.db2.gz RUTSWPUYAAGLPA-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000094009774 347690073 /nfs/dbraw/zinc/69/00/73/347690073.db2.gz BWNKTADKMCHIHS-SNVBAGLBSA-N 2 0 254.324 2.615 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000094010160 347690221 /nfs/dbraw/zinc/69/02/21/347690221.db2.gz XFZYRXQWRMYKFR-VXGBXAGGSA-N 2 0 264.335 2.697 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000093216235 347665936 /nfs/dbraw/zinc/66/59/36/347665936.db2.gz PAXNMSDVRIHSBG-DRZSPHRISA-N 2 0 252.427 2.847 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000124570540 347824900 /nfs/dbraw/zinc/82/49/00/347824900.db2.gz PJXUOFVDMGLUBS-HIFRSBDPSA-N 2 0 262.397 2.785 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000116387094 347787050 /nfs/dbraw/zinc/78/70/50/347787050.db2.gz ZRWCXVNCMYUCPK-DLBZAZTESA-N 2 0 260.425 2.939 20 0 CFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000130305484 347869298 /nfs/dbraw/zinc/86/92/98/347869298.db2.gz LGFRCBRNHHOCKN-XJKSGUPXSA-N 2 0 289.423 2.594 20 0 CFADRP CCSCC[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000132299675 347883201 /nfs/dbraw/zinc/88/32/01/347883201.db2.gz UPUCVUBBWVTIFW-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000090578264 539591372 /nfs/dbraw/zinc/59/13/72/539591372.db2.gz UEVPZHQLUQFLLE-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(Cl)c(Br)c1 ZINC000137208828 347912894 /nfs/dbraw/zinc/91/28/94/347912894.db2.gz MMJVIDBIAUKSQV-UHFFFAOYSA-N 2 0 291.620 2.883 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(Cc2cccc(OC)c2F)C1 ZINC000192956962 539592676 /nfs/dbraw/zinc/59/26/76/539592676.db2.gz XCBJTYJDMLCJAW-CQSZACIVSA-N 2 0 294.414 2.998 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000226683638 348184793 /nfs/dbraw/zinc/18/47/93/348184793.db2.gz JLZRCWOANKSXGA-HZPDHXFCSA-N 2 0 290.451 2.946 20 0 CFADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(F)c1 ZINC000228601805 348196471 /nfs/dbraw/zinc/19/64/71/348196471.db2.gz HTFIVFXSTVRVRW-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229060903 348198624 /nfs/dbraw/zinc/19/86/24/348198624.db2.gz QLARAQPPXXEEHI-ZBFHGGJFSA-N 2 0 276.424 2.892 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248874163 348278557 /nfs/dbraw/zinc/27/85/57/348278557.db2.gz IUQKLKCHPFAUCF-PBHICJAKSA-N 2 0 273.424 2.865 20 0 CFADRP COc1ccc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000317116872 348432928 /nfs/dbraw/zinc/43/29/28/348432928.db2.gz RXCMDVVQINLUIE-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337184 348422471 /nfs/dbraw/zinc/42/24/71/348422471.db2.gz AQNHHOFCLOLFDE-GDBMZVCRSA-N 2 0 284.403 2.950 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000314886538 348427925 /nfs/dbraw/zinc/42/79/25/348427925.db2.gz IKVRCHRCGYKJAH-QGZVFWFLSA-N 2 0 298.434 2.692 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC(F)(F)F ZINC000402505592 348582275 /nfs/dbraw/zinc/58/22/75/348582275.db2.gz BBARPUYCEZTFOM-AXFHLTTASA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000222018175 539652211 /nfs/dbraw/zinc/65/22/11/539652211.db2.gz OOVNNYKFSCOPIU-SNPRPXQTSA-N 2 0 264.438 2.896 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000130972808 539653256 /nfs/dbraw/zinc/65/32/56/539653256.db2.gz PRDMMDAAVDUGJD-ZDUSSCGKSA-N 2 0 258.365 2.864 20 0 CFADRP CC(C)O[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000584838309 348721084 /nfs/dbraw/zinc/72/10/84/348721084.db2.gz QZPSGGXGLYHJIW-QGZVFWFLSA-N 2 0 285.391 2.872 20 0 CFADRP CC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091929280 539670716 /nfs/dbraw/zinc/67/07/16/539670716.db2.gz OITVLYAGLXRQQH-OAHLLOKOSA-N 2 0 276.424 2.859 20 0 CFADRP OCCCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000588935610 348804712 /nfs/dbraw/zinc/80/47/12/348804712.db2.gz FCZFDWMXLYYZCZ-UHFFFAOYSA-N 2 0 282.472 2.737 20 0 CFADRP C[C@@H](O)C1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000668699474 539702001 /nfs/dbraw/zinc/70/20/01/539702001.db2.gz PABGLYOWTXVPFZ-IIAWOOMASA-N 2 0 280.456 2.533 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414057815 233155509 /nfs/dbraw/zinc/15/55/09/233155509.db2.gz GHOZIRZSXVBYLE-OAHLLOKOSA-N 2 0 294.439 2.623 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414173785 233187121 /nfs/dbraw/zinc/18/71/21/233187121.db2.gz GCECWCHIQHEFIT-LSDHHAIUSA-N 2 0 261.413 2.773 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592470729 349126411 /nfs/dbraw/zinc/12/64/11/349126411.db2.gz FWLJAVFSCIIVKT-QLFBSQMISA-N 2 0 270.486 2.743 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(F)cn1 ZINC000414195398 233192900 /nfs/dbraw/zinc/19/29/00/233192900.db2.gz UUNMGTBTWHEPTO-STQMWFEESA-N 2 0 295.402 2.612 20 0 CFADRP CC[N@H+](CCSC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000592530279 349136333 /nfs/dbraw/zinc/13/63/33/349136333.db2.gz PICSFEVXGRNYMS-UHFFFAOYSA-N 2 0 290.436 2.761 20 0 CFADRP CC(C)OC(=O)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000594042467 349360931 /nfs/dbraw/zinc/36/09/31/349360931.db2.gz FERRFXVCUXNCKI-MRXNPFEDSA-N 2 0 298.471 2.818 20 0 CFADRP CC1(C)CCC[C@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668739653 539743698 /nfs/dbraw/zinc/74/36/98/539743698.db2.gz OCSJDMIDXCDDCB-RDJZCZTQSA-N 2 0 294.483 2.734 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090578250 180008294 /nfs/dbraw/zinc/00/82/94/180008294.db2.gz IJUKMYJBHMOMSO-DAYGRLMNSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000090720231 180030232 /nfs/dbraw/zinc/03/02/32/180030232.db2.gz YKDZKHUDPFOHPZ-FZMZJTMJSA-N 2 0 252.789 2.912 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414664952 233318353 /nfs/dbraw/zinc/31/83/53/233318353.db2.gz DBTGCHGGQSDKHP-UBDQQSCGSA-N 2 0 272.436 2.924 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC[NH+](C)C ZINC000091262517 180116386 /nfs/dbraw/zinc/11/63/86/180116386.db2.gz JADZCFYAHMRDPR-LBPRGKRZSA-N 2 0 254.805 2.812 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3nccs3)C2)CC[NH2+]1 ZINC000414688005 233326314 /nfs/dbraw/zinc/32/63/14/233326314.db2.gz COPDPYAXVJUDOS-HZSPNIEDSA-N 2 0 279.453 2.711 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414697558 233330138 /nfs/dbraw/zinc/33/01/38/233330138.db2.gz RGHWOAWXOTVYEZ-CPUCHLNUSA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSc1ccc(F)cc1 ZINC000131919819 539771663 /nfs/dbraw/zinc/77/16/63/539771663.db2.gz ARXCGKBHNRENDM-YPMHNXCESA-N 2 0 268.401 2.729 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccsc3)C2)CC[NH2+]1 ZINC000414711935 233334995 /nfs/dbraw/zinc/33/49/95/233334995.db2.gz TWXNYIAFXFIMDC-NFAWXSAZSA-N 2 0 280.437 2.510 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)sc1C ZINC000414716987 233337437 /nfs/dbraw/zinc/33/74/37/233337437.db2.gz YQHKCCZTSWAWKH-GWCFXTLKSA-N 2 0 281.469 2.973 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000414801825 233357186 /nfs/dbraw/zinc/35/71/86/233357186.db2.gz MHEWQDBQSHDIDT-WBVHZDCISA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414803265 233357301 /nfs/dbraw/zinc/35/73/01/233357301.db2.gz NMLSAMMRVSCUCK-DZGCQCFKSA-N 2 0 285.391 2.548 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000414754759 233343226 /nfs/dbraw/zinc/34/32/26/233343226.db2.gz ODDZNTURLLEMCF-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(F)c1F ZINC000414773550 233346454 /nfs/dbraw/zinc/34/64/54/233346454.db2.gz DNKVQQLRYRAOAZ-STQMWFEESA-N 2 0 298.352 2.925 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414775060 233346781 /nfs/dbraw/zinc/34/67/81/233346781.db2.gz GBRZCTVJSBGJLY-HUUCEWRRSA-N 2 0 292.398 2.656 20 0 CFADRP c1sc(C2CC2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784267 233350475 /nfs/dbraw/zinc/35/04/75/233350475.db2.gz RBFQIYXSPMRULX-ZIAGYGMSSA-N 2 0 291.464 2.842 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000414791373 233352034 /nfs/dbraw/zinc/35/20/34/233352034.db2.gz QHMUGGXPOGINLR-LLVKDONJSA-N 2 0 297.240 2.894 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789013 233352174 /nfs/dbraw/zinc/35/21/74/233352174.db2.gz XQTDPCWOXFTNBR-JKSUJKDBSA-N 2 0 290.455 2.594 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000414792331 233353405 /nfs/dbraw/zinc/35/34/05/233353405.db2.gz CDHGXVUBFJXLAG-RNCFNFMXSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000414807495 233360052 /nfs/dbraw/zinc/36/00/52/233360052.db2.gz RBNMVEVNKCDELE-YMTOWFKASA-N 2 0 272.314 2.711 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414812174 233362629 /nfs/dbraw/zinc/36/26/29/233362629.db2.gz XAXUZWSHEJUQJT-GOEBONIOSA-N 2 0 284.407 2.684 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414822220 233365323 /nfs/dbraw/zinc/36/53/23/233365323.db2.gz MVEXSOBCXRWWPZ-NWDGAFQWSA-N 2 0 252.427 2.666 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825331 233367402 /nfs/dbraw/zinc/36/74/02/233367402.db2.gz HGHBJGUMAOOVOE-YIBTVLSRSA-N 2 0 264.335 2.980 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414827873 233369489 /nfs/dbraw/zinc/36/94/89/233369489.db2.gz YOXZOAZLLCVNLH-VNHYZAJKSA-N 2 0 264.388 2.907 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414834609 233371520 /nfs/dbraw/zinc/37/15/20/233371520.db2.gz SWTJHHBUOUSHIB-GFCCVEGCSA-N 2 0 297.240 2.847 20 0 CFADRP Cc1nc2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2s1 ZINC000414832305 233371637 /nfs/dbraw/zinc/37/16/37/233371637.db2.gz ONNQKCOPNBIKBR-LBPRGKRZSA-N 2 0 275.421 2.694 20 0 CFADRP c1sc(C[NH2+]CC[C@@H]2CC[NH2+]C2)nc1-c1ccccc1 ZINC000414832802 233372094 /nfs/dbraw/zinc/37/20/94/233372094.db2.gz OYNKJHKCLYHJFP-ZDUSSCGKSA-N 2 0 287.432 2.899 20 0 CFADRP c1nc(C2CCCC2)sc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414841049 233373305 /nfs/dbraw/zinc/37/33/05/233373305.db2.gz XQMSMFUUBSESOU-GFCCVEGCSA-N 2 0 279.453 2.890 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843836 233375187 /nfs/dbraw/zinc/37/51/87/233375187.db2.gz CZCQGKCYNHMQDT-ZDUSSCGKSA-N 2 0 250.361 2.613 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414845057 233375498 /nfs/dbraw/zinc/37/54/98/233375498.db2.gz LMHAVEDJRWTQDT-BBWFWOEESA-N 2 0 258.409 2.739 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414847285 233376226 /nfs/dbraw/zinc/37/62/26/233376226.db2.gz IPYCHTDOQJFARP-ZDUSSCGKSA-N 2 0 287.382 2.853 20 0 CFADRP COCCNCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000414869922 233384778 /nfs/dbraw/zinc/38/47/78/233384778.db2.gz GNYZPEQDPQZNPJ-GDBMZVCRSA-N 2 0 296.842 2.802 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH3+])sc1Br ZINC000414901197 233393508 /nfs/dbraw/zinc/39/35/08/233393508.db2.gz IQCXDKKMQPDHTO-UHFFFAOYSA-N 2 0 277.231 2.648 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000414911349 233397715 /nfs/dbraw/zinc/39/77/15/233397715.db2.gz DVSMBGBGAONZRD-JKSUJKDBSA-N 2 0 274.408 2.835 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000414855229 233379162 /nfs/dbraw/zinc/37/91/62/233379162.db2.gz WFGQNRIDPSVOSH-FGTMMUONSA-N 2 0 272.436 2.987 20 0 CFADRP c1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414856194 233380167 /nfs/dbraw/zinc/38/01/67/233380167.db2.gz OAZIJDADBGWRGV-HYVNUMGLSA-N 2 0 258.409 2.912 20 0 CFADRP Cc1ccc(CCC[NH2+]CC2([NH3+])CCCCCC2)cn1 ZINC000414860720 233382166 /nfs/dbraw/zinc/38/21/66/233382166.db2.gz QJFPFZDEQJSXBB-UHFFFAOYSA-N 2 0 275.440 2.964 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043300 180311110 /nfs/dbraw/zinc/31/11/10/180311110.db2.gz KHHRIEQFFSUWAK-ZIAGYGMSSA-N 2 0 264.438 2.973 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000415007259 233434800 /nfs/dbraw/zinc/43/48/00/233434800.db2.gz BCRDPGZQBFFTKO-NSHDSACASA-N 2 0 282.815 2.882 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCSCC(F)(F)F)CC1(C)C ZINC000598974594 350352757 /nfs/dbraw/zinc/35/27/57/350352757.db2.gz QMTZNDWGZLXHRZ-SNVBAGLBSA-N 2 0 284.391 2.744 20 0 CFADRP CSCc1cnc(CNC[C@H]2CCCC[N@H+](C)C2)s1 ZINC000598994487 350356324 /nfs/dbraw/zinc/35/63/24/350356324.db2.gz ORBZKDQMGPKEPV-GFCCVEGCSA-N 2 0 299.509 2.828 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000415041084 233444482 /nfs/dbraw/zinc/44/44/82/233444482.db2.gz PNMLQFDMMZSRHF-ZWNOBZJWSA-N 2 0 283.213 2.666 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599071805 350370987 /nfs/dbraw/zinc/37/09/87/350370987.db2.gz TYNWJLCYNTYAJZ-LSDHHAIUSA-N 2 0 298.471 2.676 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000415026955 233441406 /nfs/dbraw/zinc/44/14/06/233441406.db2.gz AFQLINHVCULSFN-GXSJLCMTSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000415035014 233442661 /nfs/dbraw/zinc/44/26/61/233442661.db2.gz KGLUUYGYJWJJQF-RKDXNWHRSA-N 2 0 289.242 2.728 20 0 CFADRP CSC1(C[NH2+]C[C@]2(C)CCCS2)CC[NH+](C)CC1 ZINC000600166699 350527611 /nfs/dbraw/zinc/52/76/11/350527611.db2.gz ZIWORPFLIGPFRI-ZDUSSCGKSA-N 2 0 288.526 2.689 20 0 CFADRP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600174067 350530952 /nfs/dbraw/zinc/53/09/52/350530952.db2.gz KFPJQZOXAFVRHE-JKIFEVAISA-N 2 0 296.455 2.571 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC000109788158 186272666 /nfs/dbraw/zinc/27/26/66/186272666.db2.gz QTTXYVQFKNWWCM-UHFFFAOYSA-N 2 0 276.424 2.872 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000110976237 186338690 /nfs/dbraw/zinc/33/86/90/186338690.db2.gz HVJOOMNDWSVPRO-AWEZNQCLSA-N 2 0 250.361 2.566 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(C)(C)CC)CC[NH2+]CC1 ZINC000602023614 350835008 /nfs/dbraw/zinc/83/50/08/350835008.db2.gz YRILCRKCPLQXJY-AWEZNQCLSA-N 2 0 298.471 2.724 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000602966815 351073504 /nfs/dbraw/zinc/07/35/04/351073504.db2.gz RUDRZTSVCCYLJK-UHFFFAOYSA-N 2 0 298.471 2.916 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000565237959 290287722 /nfs/dbraw/zinc/28/77/22/290287722.db2.gz MNSLGYMIFBEIMB-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CC1(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)COC1 ZINC000608492337 351442150 /nfs/dbraw/zinc/44/21/50/351442150.db2.gz NIYBOJSZYHUNIU-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000608497596 351445435 /nfs/dbraw/zinc/44/54/35/351445435.db2.gz HEWTYVKBFPQQMD-KRWDZBQOSA-N 2 0 287.451 2.670 20 0 CFADRP C[C@H]([NH2+]CCSCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000611337533 351669861 /nfs/dbraw/zinc/66/98/61/351669861.db2.gz HBCNIYAEXLJRKI-JTQLQIEISA-N 2 0 284.391 2.602 20 0 CFADRP CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000121899955 187003413 /nfs/dbraw/zinc/00/34/13/187003413.db2.gz ROMBBLSYJLKEEM-DOTOQJQBSA-N 2 0 290.451 2.790 20 0 CFADRP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000123086629 187070265 /nfs/dbraw/zinc/07/02/65/187070265.db2.gz ZPQFBXKHKMKXOU-GOSISDBHSA-N 2 0 288.435 2.797 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000250630847 303116788 /nfs/dbraw/zinc/11/67/88/303116788.db2.gz CUPNYQZOIXLHEO-QJPTWQEYSA-N 2 0 264.335 2.697 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000122745313 187049375 /nfs/dbraw/zinc/04/93/75/187049375.db2.gz ZVFCTUBOQBKINX-CQSZACIVSA-N 2 0 278.444 2.676 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000122773495 187050583 /nfs/dbraw/zinc/05/05/83/187050583.db2.gz UUMOSKBGDMHBPQ-ZDUSSCGKSA-N 2 0 279.403 2.993 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000122791291 187052181 /nfs/dbraw/zinc/05/21/81/187052181.db2.gz ZJVLTNDJHRBJIP-UXLLHSPISA-N 2 0 276.424 2.692 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000122874804 187057148 /nfs/dbraw/zinc/05/71/48/187057148.db2.gz JJCXDGIPQGJBPR-AWEZNQCLSA-N 2 0 288.435 2.787 20 0 CFADRP COCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000124254633 187128631 /nfs/dbraw/zinc/12/86/31/187128631.db2.gz YPFXTSDCEDKNQM-INIZCTEOSA-N 2 0 290.451 2.974 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)[C@H](C)C1 ZINC000271471254 191157355 /nfs/dbraw/zinc/15/73/55/191157355.db2.gz ITOGGEOYFGJSOG-NRSFXHEJSA-N 2 0 272.436 2.938 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292264801 198222964 /nfs/dbraw/zinc/22/29/64/198222964.db2.gz YYQCVHXBFIXPJN-GOSISDBHSA-N 2 0 272.436 2.819 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152721378 188038504 /nfs/dbraw/zinc/03/85/04/188038504.db2.gz ZJOVFQREBOCBHH-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000154322769 188135630 /nfs/dbraw/zinc/13/56/30/188135630.db2.gz QRQLPRKLKHEUIG-KRWDZBQOSA-N 2 0 289.467 2.673 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C)c2ccccc2)[C@H](C)C1 ZINC000154366522 188137844 /nfs/dbraw/zinc/13/78/44/188137844.db2.gz QGMPBFXFTPHBCJ-AEFFLSMTSA-N 2 0 289.467 2.833 20 0 CFADRP C[C@@H](CC[N@@H+]1C[C@H](C)[C@H](C)C1)[NH+]1C[C@H](C)[C@H](C)C1 ZINC000431598698 539983867 /nfs/dbraw/zinc/98/38/67/539983867.db2.gz XIUCEZDTBVWUOQ-NPJQDHAYSA-N 2 0 252.446 2.941 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000155127387 188185977 /nfs/dbraw/zinc/18/59/77/188185977.db2.gz FFIKOBFNFOWHOJ-KGLIPLIRSA-N 2 0 295.496 2.597 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000156146255 188245007 /nfs/dbraw/zinc/24/50/07/188245007.db2.gz KPMCGMFBWUJQFZ-HPFXQQBRSA-N 2 0 289.467 2.830 20 0 CFADRP Clc1cccc(CCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000621248879 353307829 /nfs/dbraw/zinc/30/78/29/353307829.db2.gz BFAFUVRVHWQDNF-GASCZTMLSA-N 2 0 278.827 2.814 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccncc1 ZINC000156538631 188267135 /nfs/dbraw/zinc/26/71/35/188267135.db2.gz KRUXZDGOUBGTRH-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000156707549 188277072 /nfs/dbraw/zinc/27/70/72/188277072.db2.gz KGQSTKMVFNKOSW-AWEZNQCLSA-N 2 0 261.413 2.854 20 0 CFADRP c1cc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000157139448 188299283 /nfs/dbraw/zinc/29/92/83/188299283.db2.gz WYCJZCBQXJTGPC-KRWDZBQOSA-N 2 0 273.424 2.574 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000566316327 290370803 /nfs/dbraw/zinc/37/08/03/290370803.db2.gz QAZVRAILFPCVAK-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cc(C[N@H+](CCC[NH3+])CC2CCCC2)ccn1 ZINC000621775028 353422309 /nfs/dbraw/zinc/42/23/09/353422309.db2.gz DBGOADGTFZUWOD-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP Cc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158517560 188380078 /nfs/dbraw/zinc/38/00/78/188380078.db2.gz CLFSAECGMKZXJG-AEFFLSMTSA-N 2 0 288.435 2.790 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000622044049 353468398 /nfs/dbraw/zinc/46/83/98/353468398.db2.gz SIVPKELLNAPYJA-WUHRBBMRSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC1(F)F ZINC000622043880 353468608 /nfs/dbraw/zinc/46/86/08/353468608.db2.gz OOLJZHNZUMZESD-IACUBPJLSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000622044640 353469154 /nfs/dbraw/zinc/46/91/54/353469154.db2.gz NQTNGSZJKOOCPV-SOUVJXGZSA-N 2 0 261.413 2.743 20 0 CFADRP Cn1cncc1CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000623085864 353585210 /nfs/dbraw/zinc/58/52/10/353585210.db2.gz JYNIHDOSQBUDAE-NSCUHMNNSA-N 2 0 277.318 2.544 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353501 353623093 /nfs/dbraw/zinc/62/30/93/353623093.db2.gz NUCKYVBLGNBVOG-CVEARBPZSA-N 2 0 283.504 2.815 20 0 CFADRP C[N@@H+]1CC[C@@H](NCc2ccc(F)c(F)c2)CC1(C)C ZINC000623376754 353628961 /nfs/dbraw/zinc/62/89/61/353628961.db2.gz AVXOPGWOVOISEP-GFCCVEGCSA-N 2 0 268.351 2.927 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1(C)C ZINC000623381717 353630690 /nfs/dbraw/zinc/63/06/90/353630690.db2.gz CKEZZZRCKWSARG-JSGCOSHPSA-N 2 0 289.423 2.627 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CC1(C)C ZINC000623381716 353630733 /nfs/dbraw/zinc/63/07/33/353630733.db2.gz CKEZZZRCKWSARG-GXTWGEPZSA-N 2 0 289.423 2.627 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623395870 353633390 /nfs/dbraw/zinc/63/33/90/353633390.db2.gz CEIQKZFXYFJCIP-GFCCVEGCSA-N 2 0 281.469 2.710 20 0 CFADRP Cc1ccc2nc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)cn2c1 ZINC000623402364 353635725 /nfs/dbraw/zinc/63/57/25/353635725.db2.gz IBDWRZALMCNHRY-AWEZNQCLSA-N 2 0 286.423 2.605 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)CC1(C)C ZINC000623408178 353636816 /nfs/dbraw/zinc/63/68/16/353636816.db2.gz MCRZSPIJQGIZIG-GFCCVEGCSA-N 2 0 298.377 2.806 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623436750 353643779 /nfs/dbraw/zinc/64/37/79/353643779.db2.gz CIDKQWYRDVJVHM-STQMWFEESA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)CC1(C)C ZINC000623438093 353644459 /nfs/dbraw/zinc/64/44/59/353644459.db2.gz LDDYNYWMUSEJIZ-AWEZNQCLSA-N 2 0 282.378 2.970 20 0 CFADRP Cn1cc([C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C(C)(C)C)cn1 ZINC000623439589 353645489 /nfs/dbraw/zinc/64/54/89/353645489.db2.gz PQARXUGJUYMUSP-CABCVRRESA-N 2 0 292.471 2.970 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623440696 353645642 /nfs/dbraw/zinc/64/56/42/353645642.db2.gz HAMJJWGGPCGECK-UKRRQHHQSA-N 2 0 261.413 2.648 20 0 CFADRP COc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623335770 353616450 /nfs/dbraw/zinc/61/64/50/353616450.db2.gz CPNRZPGFOJEGEI-AWEZNQCLSA-N 2 0 262.397 2.658 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623338503 353618382 /nfs/dbraw/zinc/61/83/82/353618382.db2.gz CKIJWGLPAQEZMR-IAGOWNOFSA-N 2 0 289.467 2.752 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCCCO2)CC1(C)C ZINC000623493175 353656980 /nfs/dbraw/zinc/65/69/80/353656980.db2.gz XPYIFPMWFBAWDN-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623536339 353666861 /nfs/dbraw/zinc/66/68/61/353666861.db2.gz SPPKKLKQJRNCAC-RYUDHWBXSA-N 2 0 296.377 2.806 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623549675 353669851 /nfs/dbraw/zinc/66/98/51/353669851.db2.gz LCADZJMAPYLWRH-XPKDYRNWSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc32)CC1(C)C ZINC000623562538 353672587 /nfs/dbraw/zinc/67/25/87/353672587.db2.gz VCXCQSFIAXFFNL-ZDUSSCGKSA-N 2 0 287.407 2.833 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1(C)C ZINC000623572221 353675043 /nfs/dbraw/zinc/67/50/43/353675043.db2.gz VMXBOSYVJDQRRX-PQEBFOHHSA-N 2 0 270.420 2.787 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1(C)C ZINC000623573110 353675283 /nfs/dbraw/zinc/67/52/83/353675283.db2.gz XZPZVJGTPVXLJI-WDEREUQCSA-N 2 0 260.372 2.740 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000623574975 353676045 /nfs/dbraw/zinc/67/60/45/353676045.db2.gz DAWZEBXAIKVPAR-UHFFFAOYSA-N 2 0 273.424 2.602 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623655156 353695861 /nfs/dbraw/zinc/69/58/61/353695861.db2.gz PLBBDVUWEBLRQO-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000623657527 353698110 /nfs/dbraw/zinc/69/81/10/353698110.db2.gz SUWPSCZEPKODJK-JKSUJKDBSA-N 2 0 288.435 2.874 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000623899623 353753376 /nfs/dbraw/zinc/75/33/76/353753376.db2.gz NXTJJKQRIWCPNG-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623999003 353780016 /nfs/dbraw/zinc/78/00/16/353780016.db2.gz IALZOJIKEQROED-STQMWFEESA-N 2 0 279.453 2.842 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCCCO1 ZINC000623853719 353741005 /nfs/dbraw/zinc/74/10/05/353741005.db2.gz FLLLUKUQPMLPEI-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422881052 290386249 /nfs/dbraw/zinc/38/62/49/290386249.db2.gz NFBSXAJFMSFLOZ-GTPINHCMSA-N 3 0 281.488 2.748 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121606 353810888 /nfs/dbraw/zinc/81/08/88/353810888.db2.gz YWGSNRYITXCMNW-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCCC1 ZINC000624124204 353813241 /nfs/dbraw/zinc/81/32/41/353813241.db2.gz ZTXZIZYESWGPSP-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCSc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624228904 353841874 /nfs/dbraw/zinc/84/18/74/353841874.db2.gz FVORNVSQGCWXBZ-UKRRQHHQSA-N 2 0 294.464 2.516 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC12CC2)C1CC[NH+](C)CC1 ZINC000624313903 353860437 /nfs/dbraw/zinc/86/04/37/353860437.db2.gz XWQOCNOSPHUZHE-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CS1 ZINC000449561303 535248499 /nfs/dbraw/zinc/24/84/99/535248499.db2.gz ULYLUXPABOSXLV-HKJOBYGYSA-N 2 0 268.470 2.731 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000625167617 353987290 /nfs/dbraw/zinc/98/72/90/353987290.db2.gz KORVIFSKVPULMV-INIZCTEOSA-N 2 0 284.488 2.981 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CC2)[C@@H](C)C1 ZINC000675779597 540014388 /nfs/dbraw/zinc/01/43/88/540014388.db2.gz XXZCCFVARXIOES-VYDXJSESSA-N 2 0 282.472 2.759 20 0 CFADRP C(=C/c1ccccc1)\CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625434738 354045395 /nfs/dbraw/zinc/04/53/95/354045395.db2.gz GTOZJZVRYMDNQY-XBXARRHUSA-N 2 0 253.349 2.871 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256939 282996325 /nfs/dbraw/zinc/99/63/25/282996325.db2.gz GTBHGKSODFBLEJ-WBMJQRKESA-N 2 0 262.372 2.792 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000566529174 290397596 /nfs/dbraw/zinc/39/75/96/290397596.db2.gz FJEABCYJRWFZDZ-NFOMZHRRSA-N 2 0 268.445 2.652 20 0 CFADRP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250128052 283013993 /nfs/dbraw/zinc/01/39/93/283013993.db2.gz YTDHEBCCTSFTKN-BZUAXINKSA-N 2 0 262.372 2.836 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3n[nH]cc32)[C@@H](C)C1 ZINC000628183340 354463591 /nfs/dbraw/zinc/46/35/91/354463591.db2.gz YAOMGYNOXNYGQY-GUYCJALGSA-N 2 0 286.423 2.725 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3n[nH]cc32)C1 ZINC000628186216 354466879 /nfs/dbraw/zinc/46/68/79/354466879.db2.gz BVQDGQKBYWSLHT-HNNXBMFYSA-N 2 0 298.434 2.727 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000628322678 354545680 /nfs/dbraw/zinc/54/56/80/354545680.db2.gz IMAXFGKFHQHLHW-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnc2ccccc2n1)C1CC1 ZINC000628304734 354533303 /nfs/dbraw/zinc/53/33/03/354533303.db2.gz OPOVASYLOLDWKB-UHFFFAOYSA-N 2 0 284.407 2.594 20 0 CFADRP c1ccc2nc(C[NH2+]CCCCC[NH+]3CCCC3)cnc2c1 ZINC000628295586 354525991 /nfs/dbraw/zinc/52/59/91/354525991.db2.gz BSLXYRDRXITHRL-UHFFFAOYSA-N 2 0 298.434 2.986 20 0 CFADRP COCC1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000628353330 354562914 /nfs/dbraw/zinc/56/29/14/354562914.db2.gz QZJOINBYOIOTOJ-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(C)c1O ZINC000628425855 354585989 /nfs/dbraw/zinc/58/59/89/354585989.db2.gz XQKHVPNMDYVKLG-OAHLLOKOSA-N 2 0 276.424 2.831 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000629530002 354832993 /nfs/dbraw/zinc/83/29/93/354832993.db2.gz SMTNJMGNHHHIRN-LJQANCHMSA-N 2 0 298.430 2.910 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000629530134 354833049 /nfs/dbraw/zinc/83/30/49/354833049.db2.gz WIWNIQFOWPPRHT-NSHDSACASA-N 2 0 268.788 2.606 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000629405833 354804172 /nfs/dbraw/zinc/80/41/72/354804172.db2.gz UQXWRIFNTOBGED-HOTGVXAUSA-N 2 0 296.842 2.802 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000629529997 354833176 /nfs/dbraw/zinc/83/31/76/354833176.db2.gz SLHHODYVOYINGP-GFCCVEGCSA-N 2 0 282.453 2.514 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000629530667 354833652 /nfs/dbraw/zinc/83/36/52/354833652.db2.gz NCAHXATZRXAWIX-KRWDZBQOSA-N 2 0 275.440 2.938 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629530572 354833832 /nfs/dbraw/zinc/83/38/32/354833832.db2.gz KDHOUTFURKERJG-HOCLYGCPSA-N 2 0 296.842 2.802 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CCOCC1 ZINC000629522091 354828039 /nfs/dbraw/zinc/82/80/39/354828039.db2.gz XJNWCHHYMUGHRE-INIZCTEOSA-N 2 0 299.418 2.643 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)CCCC[NH3+])nc1 ZINC000629522628 354828559 /nfs/dbraw/zinc/82/85/59/354828559.db2.gz FGVVYIGEECOGQQ-AWEZNQCLSA-N 2 0 263.429 2.775 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629524468 354829552 /nfs/dbraw/zinc/82/95/52/354829552.db2.gz MMTYJQQHZKQYKU-HIFRSBDPSA-N 2 0 274.408 2.641 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000629525766 354829586 /nfs/dbraw/zinc/82/95/86/354829586.db2.gz BGJLOHHVFSCGSW-BBWFWOEESA-N 2 0 258.409 2.738 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629525126 354829831 /nfs/dbraw/zinc/82/98/31/354829831.db2.gz SUAOMBUVZHFHHV-CVEARBPZSA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629525450 354829868 /nfs/dbraw/zinc/82/98/68/354829868.db2.gz USBFVJVEKQMAIY-KFWWJZLASA-N 2 0 268.445 2.545 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000629531042 354834244 /nfs/dbraw/zinc/83/42/44/354834244.db2.gz YEKWWQPKDVHNIM-SJORKVTESA-N 2 0 276.424 2.697 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000629528653 354831637 /nfs/dbraw/zinc/83/16/37/354831637.db2.gz GDGNMWKSDQKJCU-AWEZNQCLSA-N 2 0 290.407 2.936 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629528969 354832500 /nfs/dbraw/zinc/83/25/00/354832500.db2.gz OESHXGSJMFUHED-LLVKDONJSA-N 2 0 290.329 2.592 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000629650341 354876361 /nfs/dbraw/zinc/87/63/61/354876361.db2.gz RXPCVOGSDOJTTD-OAHLLOKOSA-N 2 0 292.423 2.638 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccccc2)o1 ZINC000629534555 354834622 /nfs/dbraw/zinc/83/46/22/354834622.db2.gz AOJVWMVDLZEEDV-AWEZNQCLSA-N 2 0 288.391 2.963 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000629532621 354834940 /nfs/dbraw/zinc/83/49/40/354834940.db2.gz JXWMAPUHKGBADB-QWRGUYRKSA-N 2 0 277.387 2.873 20 0 CFADRP CCc1ccc([C@H]([NH2+]CCOCCC[NH3+])C(C)C)cc1 ZINC000629536375 354835540 /nfs/dbraw/zinc/83/55/40/354835540.db2.gz GUQFRVNERIVFPW-QGZVFWFLSA-N 2 0 278.440 2.901 20 0 CFADRP CCC[C@@H]([NH2+]CCOCCC[NH3+])c1ccsc1 ZINC000629536321 354835617 /nfs/dbraw/zinc/83/56/17/354835617.db2.gz GHQIHPJSLTXTJZ-CYBMUJFWSA-N 2 0 256.415 2.544 20 0 CFADRP CCC[C@@H]([NH2+]CCOCCC[NH3+])C1CCCCC1 ZINC000629535080 354835899 /nfs/dbraw/zinc/83/58/99/354835899.db2.gz CIKCJDUNMPEBRI-OAHLLOKOSA-N 2 0 256.434 2.690 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2ccsc2S1 ZINC000629538798 354837493 /nfs/dbraw/zinc/83/74/93/354837493.db2.gz NCAZSIDSJCPXEC-CMPLNLGQSA-N 2 0 286.466 2.629 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc2c(s1)CCCC2 ZINC000629542300 354839433 /nfs/dbraw/zinc/83/94/33/354839433.db2.gz XZKXITITYGMVLP-GFCCVEGCSA-N 2 0 282.453 2.643 20 0 CFADRP CC(C)c1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629542030 354839487 /nfs/dbraw/zinc/83/94/87/354839487.db2.gz WZNOQIHXFOORQP-AWEZNQCLSA-N 2 0 264.413 2.826 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]CCOCCC[NH3+])C1CCCCC1 ZINC000629542191 354839583 /nfs/dbraw/zinc/83/95/83/354839583.db2.gz WNTRMUBJXXICPG-KBPBESRZSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543444 354840358 /nfs/dbraw/zinc/84/03/58/354840358.db2.gz BOYSVIUSMCZQBN-GVXVVHGQSA-N 2 0 299.821 2.773 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000629653946 354878267 /nfs/dbraw/zinc/87/82/67/354878267.db2.gz NRIRKVXMNBOMSQ-HUUCEWRRSA-N 2 0 292.423 2.638 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000629544185 354841979 /nfs/dbraw/zinc/84/19/79/354841979.db2.gz HUNVTYKRZUHEQI-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000629547996 354843355 /nfs/dbraw/zinc/84/33/55/354843355.db2.gz OJKNKZUGJOYJBG-BMFZPTHFSA-N 2 0 268.445 2.641 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000629549569 354844923 /nfs/dbraw/zinc/84/49/23/354844923.db2.gz SGDOMKBIPSKKKX-BZUAXINKSA-N 2 0 280.456 2.783 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551936 354845814 /nfs/dbraw/zinc/84/58/14/354845814.db2.gz YBANZKNWODAYKA-UWVGGRQHSA-N 2 0 278.343 2.984 20 0 CFADRP CCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563597 354848223 /nfs/dbraw/zinc/84/82/23/354848223.db2.gz GWPLYBOZTDSJAH-MNOVXSKESA-N 2 0 252.324 2.636 20 0 CFADRP CC(C)=CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565159 354848633 /nfs/dbraw/zinc/84/86/33/354848633.db2.gz VPECXWPBSXVRPD-VXGBXAGGSA-N 2 0 264.335 2.802 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000629571598 354849090 /nfs/dbraw/zinc/84/90/90/354849090.db2.gz YDFOSKCYHSOCMU-UHFFFAOYSA-N 2 0 296.414 2.924 20 0 CFADRP CC1(C)CC(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000629592290 354853353 /nfs/dbraw/zinc/85/33/53/354853353.db2.gz RRRPGFPCKIEGOU-INIZCTEOSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000629592386 354854315 /nfs/dbraw/zinc/85/43/15/354854315.db2.gz BMNLIDDEASSJAR-IYBDPMFKSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629663939 354883613 /nfs/dbraw/zinc/88/36/13/354883613.db2.gz HNAPMRCHECTYIY-XUWVNRHRSA-N 2 0 250.430 2.744 20 0 CFADRP CC(C)C[C@H](C[N@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629667843 354883924 /nfs/dbraw/zinc/88/39/24/354883924.db2.gz XNNFIKXOSKJYIU-QGZVFWFLSA-N 2 0 278.440 2.723 20 0 CFADRP C[NH2+]CCn1cc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)cn1 ZINC000629700736 354900004 /nfs/dbraw/zinc/90/00/04/354900004.db2.gz MWNWUOJYWSPCEG-HNNXBMFYSA-N 2 0 298.434 2.754 20 0 CFADRP C[NH2+][C@@H](CO)c1cccc(-c2cccc(C[NH+](C)C)c2)c1 ZINC000629706159 354902572 /nfs/dbraw/zinc/90/25/72/354902572.db2.gz FIGSTLBUCFTHLY-SFHVURJKSA-N 2 0 284.403 2.668 20 0 CFADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(CC[NH+](C)C)cc2)c1 ZINC000629732786 354913271 /nfs/dbraw/zinc/91/32/71/354913271.db2.gz XCIIBKVQOGNUHC-LJQANCHMSA-N 2 0 298.430 2.711 20 0 CFADRP C[NH+](C)Cc1ccc(F)c(-c2ccc([C@H]([NH3+])CO)cc2)c1 ZINC000629736766 354915446 /nfs/dbraw/zinc/91/54/46/354915446.db2.gz JZRJLTQAYDGOKL-QGZVFWFLSA-N 2 0 288.366 2.546 20 0 CFADRP CC(C)CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657300 354880428 /nfs/dbraw/zinc/88/04/28/354880428.db2.gz VXQAPIQRXNCIIH-VXGBXAGGSA-N 2 0 266.351 2.882 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000333326870 540075128 /nfs/dbraw/zinc/07/51/28/540075128.db2.gz VLPLBASPZDFMON-RBSFLKMASA-N 2 0 276.428 2.891 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC000178315243 540089277 /nfs/dbraw/zinc/08/92/77/540089277.db2.gz VHBPUHJZQSGRRE-XBKGKQEASA-N 2 0 292.467 2.939 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC000178315226 540089401 /nfs/dbraw/zinc/08/94/01/540089401.db2.gz VHBPUHJZQSGRRE-FGTAOJJYSA-N 2 0 292.467 2.939 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415086987 291057829 /nfs/dbraw/zinc/05/78/29/291057829.db2.gz SLVLJZUZUWXEOT-AAEUAGOBSA-N 2 0 297.240 2.927 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666227801 540101604 /nfs/dbraw/zinc/10/16/04/540101604.db2.gz JDSUVEWFWPRNLY-AAEUAGOBSA-N 2 0 260.372 2.740 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000290599471 540125064 /nfs/dbraw/zinc/12/50/64/540125064.db2.gz VWJWSSZUHVZRBV-DLBZAZTESA-N 2 0 288.435 2.920 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271876360 191383560 /nfs/dbraw/zinc/38/35/60/191383560.db2.gz LLRMSYRJLUNSKB-UHFFFAOYSA-N 2 0 274.408 2.825 20 0 CFADRP CC(C)n1ncnc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000631071830 355275635 /nfs/dbraw/zinc/27/56/35/355275635.db2.gz QMAIWCGPINFFJD-UHFFFAOYSA-N 2 0 293.459 2.605 20 0 CFADRP CC(C)n1ncnc1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000631043635 355262282 /nfs/dbraw/zinc/26/22/82/355262282.db2.gz ZNZYMXRDJSBVKH-OAHLLOKOSA-N 2 0 293.459 2.603 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(OC)cc1 ZINC000271883874 191387452 /nfs/dbraw/zinc/38/74/52/191387452.db2.gz QDQBPMGLFWBOIL-QGZVFWFLSA-N 2 0 274.408 2.998 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414931063 540129863 /nfs/dbraw/zinc/12/98/63/540129863.db2.gz UBOQWPDVVWNJKL-CHWSQXEVSA-N 2 0 250.361 2.748 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631159668 355321861 /nfs/dbraw/zinc/32/18/61/355321861.db2.gz BPUHKKQWOJGODN-UHFFFAOYSA-N 2 0 290.455 2.646 20 0 CFADRP c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000631185607 355337462 /nfs/dbraw/zinc/33/74/62/355337462.db2.gz PJFFGSTVDQXMGS-XDNAFOTISA-N 2 0 286.419 2.733 20 0 CFADRP COC1([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)CCC1 ZINC000666234110 540149125 /nfs/dbraw/zinc/14/91/25/540149125.db2.gz RIEBKJGYXLGCMI-AWEZNQCLSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631570276 355492980 /nfs/dbraw/zinc/49/29/80/355492980.db2.gz RVMLZILTTDWMNY-VKJFTORMSA-N 2 0 286.419 2.899 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000631576401 355496308 /nfs/dbraw/zinc/49/63/08/355496308.db2.gz HWOLSSJBPSRLOJ-MRXNPFEDSA-N 2 0 262.397 2.614 20 0 CFADRP c1cnc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000631564582 355489365 /nfs/dbraw/zinc/48/93/65/355489365.db2.gz UOUXDGPFABHZPN-INIZCTEOSA-N 2 0 259.397 2.535 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCOC1 ZINC000631664249 355537061 /nfs/dbraw/zinc/53/70/61/355537061.db2.gz NCTJCHBPEIVWCC-NJAFHUGGSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000631707702 355558362 /nfs/dbraw/zinc/55/83/62/355558362.db2.gz XQPFGLUVNOGCSO-MNOVXSKESA-N 2 0 267.442 2.832 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCCc2ncccc21)C1CC1 ZINC000631635972 355525520 /nfs/dbraw/zinc/52/55/20/355525520.db2.gz VWOBXTUKKDCXJQ-MRXNPFEDSA-N 2 0 273.424 2.923 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)n1 ZINC000631820895 355595374 /nfs/dbraw/zinc/59/53/74/355595374.db2.gz JTNOVEYNZZGFNG-ZDUSSCGKSA-N 2 0 261.413 2.566 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)n1 ZINC000631828561 355597132 /nfs/dbraw/zinc/59/71/32/355597132.db2.gz SDNUJWPOUNZISZ-PJODQICGSA-N 2 0 275.440 2.812 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000631827646 355597604 /nfs/dbraw/zinc/59/76/04/355597604.db2.gz SGPCQFYIEKGCOB-MJBXVCDLSA-N 2 0 272.383 2.886 20 0 CFADRP Fc1ccccc1OC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000631835500 355599256 /nfs/dbraw/zinc/59/92/56/355599256.db2.gz AUXURFFGXNVNFA-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836732 355600083 /nfs/dbraw/zinc/60/00/83/355600083.db2.gz GBFIXOBKVSXJSW-DZGCQCFKSA-N 2 0 275.440 2.794 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631839520 355602594 /nfs/dbraw/zinc/60/25/94/355602594.db2.gz HHCCPKGTIWALGN-CZUORRHYSA-N 2 0 254.377 2.866 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631841577 355604112 /nfs/dbraw/zinc/60/41/12/355604112.db2.gz MMTCCONIDRGJGX-ZYHUDNBSSA-N 2 0 272.314 2.732 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C)(F)CC2)cc1 ZINC000631867102 355608799 /nfs/dbraw/zinc/60/87/99/355608799.db2.gz JMTSKDVJBXKKIP-CQSZACIVSA-N 2 0 280.387 2.562 20 0 CFADRP c1ccc(OCCCC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868243 355610054 /nfs/dbraw/zinc/61/00/54/355610054.db2.gz BIOCNZVREZVYNH-WBVHZDCISA-N 2 0 274.408 2.577 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229247701 540176538 /nfs/dbraw/zinc/17/65/38/540176538.db2.gz PGDNGHARLYUECB-KKUMJFAQSA-N 2 0 266.429 2.537 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887661 355614275 /nfs/dbraw/zinc/61/42/75/355614275.db2.gz PMRBCICMVWGPJQ-IRXDYDNUSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc(SCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887391 355614867 /nfs/dbraw/zinc/61/48/67/355614867.db2.gz NFHGFANXHBKRCK-GOEBONIOSA-N 2 0 276.449 2.853 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000229366793 540180114 /nfs/dbraw/zinc/18/01/14/540180114.db2.gz ZKFFCFJTVRVVPL-ZACQAIPSSA-N 2 0 292.467 2.942 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)[C@H]2CCC[C@H]21 ZINC000343993209 283137960 /nfs/dbraw/zinc/13/79/60/283137960.db2.gz RUWJFIYANWAADW-MXASKKJJSA-N 2 0 286.419 2.625 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000353626170 283141330 /nfs/dbraw/zinc/14/13/30/283141330.db2.gz XOQZXIAPAUGPAE-LVQVYYBASA-N 2 0 278.440 2.551 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000417366034 283141573 /nfs/dbraw/zinc/14/15/73/283141573.db2.gz OKWJGINWRGPKDK-XDNAFOTISA-N 2 0 286.419 2.720 20 0 CFADRP CN1CC[C@H]([NH2+][C@H]2COCC2(C)C)C[C@@H]1c1ccccc1 ZINC000453353935 540228362 /nfs/dbraw/zinc/22/83/62/540228362.db2.gz IABHLCXPPQAHRY-BBWFWOEESA-N 2 0 288.435 2.837 20 0 CFADRP CCSCC[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000273643732 192243669 /nfs/dbraw/zinc/24/36/69/192243669.db2.gz BUMSWCSGDVRZIZ-UHFFFAOYSA-N 2 0 296.480 2.512 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc2cccnc12 ZINC000334847443 540254149 /nfs/dbraw/zinc/25/41/49/540254149.db2.gz MSQHEHJLHPJZQN-HOTGVXAUSA-N 2 0 269.392 2.903 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086896141 540255559 /nfs/dbraw/zinc/25/55/59/540255559.db2.gz FIXQCNCIRIUJMG-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422702839 283214228 /nfs/dbraw/zinc/21/42/28/283214228.db2.gz GBLBWDJFYGDMQW-HZPDHXFCSA-N 2 0 269.477 2.606 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000568740798 290568158 /nfs/dbraw/zinc/56/81/58/290568158.db2.gz QKFXBIFHEYZJSQ-PVTMVUMOSA-N 2 0 280.456 2.843 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336237414 540285797 /nfs/dbraw/zinc/28/57/97/540285797.db2.gz CKSLRAYQVOHGGR-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068114 540282590 /nfs/dbraw/zinc/28/25/90/540282590.db2.gz OBMAZHSZQSBTMM-SJORKVTESA-N 2 0 288.435 2.980 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1CCCCC1 ZINC000233897297 540304940 /nfs/dbraw/zinc/30/49/40/540304940.db2.gz BOOGTQYOSLZBAL-LSDHHAIUSA-N 2 0 256.434 2.689 20 0 CFADRP c1nc(C2CC2)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000459647636 540315045 /nfs/dbraw/zinc/31/50/45/540315045.db2.gz AYYSDUWOAUGNSG-UHFFFAOYSA-N 2 0 284.388 2.958 20 0 CFADRP C[C@H](C[NH2+]CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000294631587 199114558 /nfs/dbraw/zinc/11/45/58/199114558.db2.gz ALMYCJPYVQDRFK-LLVKDONJSA-N 2 0 256.340 2.610 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCC2)CC[N@@H+]1C ZINC000353957291 291145310 /nfs/dbraw/zinc/14/53/10/291145310.db2.gz OYCIIEMLUIVMHO-WDEREUQCSA-N 2 0 264.335 2.791 20 0 CFADRP Fc1cccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420328382 236620368 /nfs/dbraw/zinc/62/03/68/236620368.db2.gz ZGSOELFQKKKDNA-ZDUSSCGKSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000420311113 236613043 /nfs/dbraw/zinc/61/30/43/236613043.db2.gz GURAUWCQHITGLN-BFQNTYOBSA-N 2 0 262.372 2.872 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000294918750 199247737 /nfs/dbraw/zinc/24/77/37/199247737.db2.gz APYUOANHPQISHA-MRXNPFEDSA-N 2 0 275.440 2.848 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(O)cc2)c1 ZINC000237059291 540413084 /nfs/dbraw/zinc/41/30/84/540413084.db2.gz IFHOWMWGPPZJNX-UHFFFAOYSA-N 2 0 270.376 2.744 20 0 CFADRP C[C@H](NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400627871 299282328 /nfs/dbraw/zinc/28/23/28/299282328.db2.gz LAOLMCLZHLXKHG-IRXDYDNUSA-N 2 0 293.499 2.905 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000093211536 540426420 /nfs/dbraw/zinc/42/64/20/540426420.db2.gz VVFGQMDNJQEIHS-ZMLRMANQSA-N 2 0 254.324 2.885 20 0 CFADRP Cc1csc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000093516437 540431821 /nfs/dbraw/zinc/43/18/21/540431821.db2.gz CQXALZNEUFOYBA-OCCSQVGLSA-N 2 0 281.469 2.894 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000678586774 540460954 /nfs/dbraw/zinc/46/09/54/540460954.db2.gz DOFYIFGZIFRZND-IIDMSEBBSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000192678621 299290615 /nfs/dbraw/zinc/29/06/15/299290615.db2.gz ROBAEOGUYPHGQN-XHSDSOJGSA-N 2 0 292.471 2.829 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000094470717 540450766 /nfs/dbraw/zinc/45/07/66/540450766.db2.gz JLQAHNHIWKKBBM-IHRRRGAJSA-N 2 0 258.475 2.981 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCc2ccsc2)C[C@H]1C[NH3+] ZINC000422633587 237115471 /nfs/dbraw/zinc/11/54/71/237115471.db2.gz INADBYBVBONRJL-VNHYZAJKSA-N 2 0 266.454 2.986 20 0 CFADRP C[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000669688630 540487329 /nfs/dbraw/zinc/48/73/29/540487329.db2.gz YIMMNKNJWZKVPL-XBFCOCLRSA-N 2 0 298.352 2.960 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)ccc2n1 ZINC000097862695 540519761 /nfs/dbraw/zinc/51/97/61/540519761.db2.gz PHQOBYIYOIERMZ-BBRMVZONSA-N 2 0 269.392 2.855 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422738109 237150749 /nfs/dbraw/zinc/15/07/49/237150749.db2.gz JEGSJJMAERVORP-CVEARBPZSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422741960 237155412 /nfs/dbraw/zinc/15/54/12/237155412.db2.gz QLUOAKNYRBXOBT-ZIAGYGMSSA-N 2 0 290.451 2.949 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422742298 237156230 /nfs/dbraw/zinc/15/62/30/237156230.db2.gz RGGAMHBFHFFNFN-ACJLOTCBSA-N 2 0 299.418 2.887 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422703787 237126270 /nfs/dbraw/zinc/12/62/70/237126270.db2.gz IQRNZUURJUBKAD-ZBFHGGJFSA-N 2 0 260.425 2.990 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422718733 237136093 /nfs/dbraw/zinc/13/60/93/237136093.db2.gz PYEFHZXLEXKCKS-CABCVRRESA-N 2 0 282.815 2.968 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422770612 237186508 /nfs/dbraw/zinc/18/65/08/237186508.db2.gz UXEPGWQJQQCIII-LZVXQISVSA-N 2 0 285.391 2.957 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000422772666 237189131 /nfs/dbraw/zinc/18/91/31/237189131.db2.gz XLNGJWDZNWAZPL-UHFFFAOYSA-N 2 0 284.350 2.895 20 0 CFADRP C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422751567 237164882 /nfs/dbraw/zinc/16/48/82/237164882.db2.gz BOIGDSMBAACYJY-DCBWTQNWSA-N 2 0 298.377 2.839 20 0 CFADRP CSCCCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422750637 237166310 /nfs/dbraw/zinc/16/63/10/237166310.db2.gz DKFHPWGRBSABBB-NSHDSACASA-N 2 0 267.442 2.643 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422753060 237166938 /nfs/dbraw/zinc/16/69/38/237166938.db2.gz DHDOCJMLAMAMME-YSVLISHTSA-N 2 0 291.414 2.512 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422753433 237168481 /nfs/dbraw/zinc/16/84/81/237168481.db2.gz IHBFNMZRTDGTLY-CVEARBPZSA-N 2 0 262.397 2.623 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000422757665 237173175 /nfs/dbraw/zinc/17/31/75/237173175.db2.gz IAGYGLZUKZKCQF-CABCVRRESA-N 2 0 250.361 2.618 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000250644029 540530873 /nfs/dbraw/zinc/53/08/73/540530873.db2.gz IIINITAYMPVZOL-DLBZAZTESA-N 2 0 258.409 2.898 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000422760424 237176446 /nfs/dbraw/zinc/17/64/46/237176446.db2.gz MEGZENAJXIQAHH-FKJOKYEKSA-N 2 0 250.411 2.990 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422762651 237178173 /nfs/dbraw/zinc/17/81/73/237178173.db2.gz SIOODOJHRXDSAC-UKRRQHHQSA-N 2 0 264.438 2.886 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422794638 237217883 /nfs/dbraw/zinc/21/78/83/237217883.db2.gz UNTQTENFTRDPER-QQFBHYJXSA-N 2 0 276.424 2.869 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422796907 237220335 /nfs/dbraw/zinc/22/03/35/237220335.db2.gz ZJDXIDOWDAUZDC-OWCLPIDISA-N 2 0 276.424 2.869 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251709395 540549780 /nfs/dbraw/zinc/54/97/80/540549780.db2.gz JKHJZGXDPDCNPC-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422796581 237221947 /nfs/dbraw/zinc/22/19/47/237221947.db2.gz YOEGCQPIGLEXBQ-VYDXJSESSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1[NH3+] ZINC000251758820 540550785 /nfs/dbraw/zinc/55/07/85/540550785.db2.gz LUGSBRMXSMWFQE-BLLLJJGKSA-N 2 0 287.382 2.933 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422800483 237224255 /nfs/dbraw/zinc/22/42/55/237224255.db2.gz BYAFIYSWGXZTLM-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP COCc1ccccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422801865 237225091 /nfs/dbraw/zinc/22/50/91/237225091.db2.gz GJKWKVDXJMDWOC-CYBMUJFWSA-N 2 0 299.418 2.846 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1ccc(Cl)cc1 ZINC000422799817 237225777 /nfs/dbraw/zinc/22/57/77/237225777.db2.gz YPNXDAXVFZROQT-LERXQTSPSA-N 2 0 268.788 2.577 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000251841084 540552821 /nfs/dbraw/zinc/55/28/21/540552821.db2.gz QUUGVYHVBFERSV-GDBMZVCRSA-N 2 0 262.397 2.645 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422773748 237192656 /nfs/dbraw/zinc/19/26/56/237192656.db2.gz UXIGYAJXXLUHQJ-KBPBESRZSA-N 2 0 268.401 2.528 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C)CC[C@H]1[NH3+] ZINC000251863495 540553281 /nfs/dbraw/zinc/55/32/81/540553281.db2.gz TUKIFHMRVSBUOM-IUODEOHRSA-N 2 0 250.361 2.693 20 0 CFADRP COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422780008 237198669 /nfs/dbraw/zinc/19/86/69/237198669.db2.gz CSXQSPDJLMOREH-KBPBESRZSA-N 2 0 280.412 2.570 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422780930 237199627 /nfs/dbraw/zinc/19/96/27/237199627.db2.gz LATKOBRKOPFRSP-GZBFAFLISA-N 2 0 262.397 2.734 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)c2ccccc21 ZINC000422781870 237201306 /nfs/dbraw/zinc/20/13/06/237201306.db2.gz LGJNCQXMYREMFK-KFKAGJAMSA-N 2 0 296.414 2.887 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000422783087 237202347 /nfs/dbraw/zinc/20/23/47/237202347.db2.gz KNXYTHLLDJCEST-GJZGRUSLSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Cc1cccs1 ZINC000422784962 237206386 /nfs/dbraw/zinc/20/63/86/237206386.db2.gz QKBODUPOYMLPRH-GUTXKFCHSA-N 2 0 266.454 2.904 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)c[nH]c21 ZINC000422788699 237207673 /nfs/dbraw/zinc/20/76/73/237207673.db2.gz STALLWMOGMKHQO-GUYCJALGSA-N 2 0 285.435 2.997 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000251659885 540545075 /nfs/dbraw/zinc/54/50/75/540545075.db2.gz GZGWCSWWUJAFGO-CZUORRHYSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Cc1cccs1 ZINC000422791170 237213236 /nfs/dbraw/zinc/21/32/36/237213236.db2.gz YFVGBGVIRWWXNS-OUCADQQQSA-N 2 0 252.427 2.644 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(C)sc2C)CC[C@H]1[NH3+] ZINC000251664254 540546324 /nfs/dbraw/zinc/54/63/24/540546324.db2.gz HFEOSRUFZKHYMI-GXTWGEPZSA-N 2 0 252.427 2.924 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422793126 237215052 /nfs/dbraw/zinc/21/50/52/237215052.db2.gz RRNOEXNVBULNKJ-LUYZLQTOSA-N 2 0 294.464 2.509 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C[C@H]1C[NH3+] ZINC000253197241 540579194 /nfs/dbraw/zinc/57/91/94/540579194.db2.gz UNBDGTDPSDJCJR-CZUORRHYSA-N 2 0 258.409 2.981 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000422823913 237252370 /nfs/dbraw/zinc/25/23/70/237252370.db2.gz MRGQPQSZPBWMOJ-HNNXBMFYSA-N 2 0 298.858 2.961 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC[C@H]1O ZINC000422822429 237253232 /nfs/dbraw/zinc/25/32/32/237253232.db2.gz JZEVJNOSTGCXON-DUQPFJRNSA-N 2 0 294.483 2.828 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000252412653 540562601 /nfs/dbraw/zinc/56/26/01/540562601.db2.gz AKORBNWFWFHIJG-DLBZAZTESA-N 2 0 286.419 2.586 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415910 540562662 /nfs/dbraw/zinc/56/26/62/540562662.db2.gz MIGHMMUKCZUJMI-DOTOQJQBSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCOc1ccc(F)cc1 ZINC000422825976 237255054 /nfs/dbraw/zinc/25/50/54/237255054.db2.gz BGEXHKUBECFHDR-QWHCGFSZSA-N 2 0 268.376 2.700 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422829336 237257580 /nfs/dbraw/zinc/25/75/80/237257580.db2.gz HHRKQZWJUICYEC-QZTJIDSGSA-N 2 0 298.434 2.539 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000422806440 237229561 /nfs/dbraw/zinc/22/95/61/237229561.db2.gz KRENWEHXKDWCLU-SJORKVTESA-N 2 0 296.430 2.736 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252879705 540569345 /nfs/dbraw/zinc/56/93/45/540569345.db2.gz XYVXGSVGJKFZDW-RYQLBKOJSA-N 2 0 288.435 2.741 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422855650 237277084 /nfs/dbraw/zinc/27/70/84/237277084.db2.gz CXISWJNEDWAMRM-ROUUACIJSA-N 2 0 298.434 2.664 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000669846504 540590898 /nfs/dbraw/zinc/59/08/98/540590898.db2.gz KVDYTGXKBZWART-HZPDHXFCSA-N 2 0 299.478 2.520 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422860091 237279468 /nfs/dbraw/zinc/27/94/68/237279468.db2.gz HYEKATYTLGWGGK-RHSMWYFYSA-N 2 0 298.434 2.973 20 0 CFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)CCC[NH3+] ZINC000422860470 237280436 /nfs/dbraw/zinc/28/04/36/237280436.db2.gz MLWKXEJRLOQWPZ-LLVKDONJSA-N 2 0 297.830 2.694 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422865193 237286226 /nfs/dbraw/zinc/28/62/26/237286226.db2.gz OKFWIPMLVLFBQO-KGLIPLIRSA-N 2 0 286.423 2.959 20 0 CFADRP Cc1oc2ccccc2c1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945590 540595677 /nfs/dbraw/zinc/59/56/77/540595677.db2.gz ZFGCZAOHZNMTLY-RYUDHWBXSA-N 2 0 262.328 2.531 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952322 540595873 /nfs/dbraw/zinc/59/58/73/540595873.db2.gz QSSRZEMJEQQPFW-CQSZACIVSA-N 2 0 280.799 2.580 20 0 CFADRP Brc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666951960 540596114 /nfs/dbraw/zinc/59/61/14/540596114.db2.gz ABUXZURHHFFKAQ-CYBMUJFWSA-N 2 0 295.224 2.681 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000666950909 540596180 /nfs/dbraw/zinc/59/61/80/540596180.db2.gz QEIOACMORPCXNN-MRXNPFEDSA-N 2 0 258.409 2.844 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954042 540596369 /nfs/dbraw/zinc/59/63/69/540596369.db2.gz OKCNYTJUGKJRIC-BBRMVZONSA-N 2 0 276.399 2.879 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952147 540596606 /nfs/dbraw/zinc/59/66/06/540596606.db2.gz HTTYQNJCYJAWEV-MRXNPFEDSA-N 2 0 274.408 2.706 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422867522 237289800 /nfs/dbraw/zinc/28/98/00/237289800.db2.gz SQWMOTRZFCELQL-RDBSUJKOSA-N 2 0 286.423 2.957 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840663 237266243 /nfs/dbraw/zinc/26/62/43/237266243.db2.gz UIUVTJXFUPQGCY-KKUMJFAQSA-N 2 0 295.496 2.676 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842677 237268496 /nfs/dbraw/zinc/26/84/96/237268496.db2.gz YXBMGVKYXXXQDF-GXTWGEPZSA-N 2 0 281.831 2.636 20 0 CFADRP CC[C@@H](C)Oc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OC ZINC000666831939 540585976 /nfs/dbraw/zinc/58/59/76/540585976.db2.gz MRZOJHMJSQUUSZ-QWHCGFSZSA-N 2 0 280.412 2.699 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842678 237268891 /nfs/dbraw/zinc/26/88/91/237268891.db2.gz YXBMGVKYXXXQDF-JSGCOSHPSA-N 2 0 281.831 2.636 20 0 CFADRP C[C@@]1(C[NH2+]C[C@H]2CCOc3ccccc32)CCC[NH2+]C1 ZINC000666843148 540586399 /nfs/dbraw/zinc/58/63/99/540586399.db2.gz BTWWWXJUFMHMDA-RHSMWYFYSA-N 2 0 274.408 2.532 20 0 CFADRP C[C@]1(C[NH2+]C[C@@H]2CCOc3ccccc32)CCC[NH2+]C1 ZINC000666843150 540586500 /nfs/dbraw/zinc/58/65/00/540586500.db2.gz BTWWWXJUFMHMDA-YOEHRIQHSA-N 2 0 274.408 2.532 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)ccc2n1 ZINC000666857823 540587630 /nfs/dbraw/zinc/58/76/30/540587630.db2.gz KNRGUXIYMXGWNK-MRXNPFEDSA-N 2 0 269.392 2.775 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000666857944 540587950 /nfs/dbraw/zinc/58/79/50/540587950.db2.gz QRJOJTLZHDBNBC-JFIYKMOQSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000422849306 237272890 /nfs/dbraw/zinc/27/28/90/237272890.db2.gz LLCNYHGTDDLQKN-NEPJUHHUSA-N 2 0 252.377 2.819 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)C[C@H](C)[NH3+])n1 ZINC000422890834 237311683 /nfs/dbraw/zinc/31/16/83/237311683.db2.gz TWYDHJGRSKQUOO-STQMWFEESA-N 2 0 286.423 2.705 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422899099 237319314 /nfs/dbraw/zinc/31/93/14/237319314.db2.gz NTWONYHKMIGJPJ-HZPDHXFCSA-N 2 0 262.397 2.623 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422898260 237320838 /nfs/dbraw/zinc/32/08/38/237320838.db2.gz LOBMKLMFZFLPRO-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905686 237325812 /nfs/dbraw/zinc/32/58/12/237325812.db2.gz IRVCKHGYHYIPFV-HDDXRBDOSA-N 2 0 299.462 2.651 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422905618 237327780 /nfs/dbraw/zinc/32/77/80/237327780.db2.gz ZKJHHGSDVAVEES-KFWWJZLASA-N 2 0 264.413 2.786 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422924727 237357461 /nfs/dbraw/zinc/35/74/61/237357461.db2.gz BBPYHQCBQZLUOH-RYUDHWBXSA-N 2 0 288.313 2.597 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422935147 237361033 /nfs/dbraw/zinc/36/10/33/237361033.db2.gz DAKLFHRPDNYYGM-KGLIPLIRSA-N 2 0 295.814 2.528 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])o2)cs1 ZINC000422933558 237362151 /nfs/dbraw/zinc/36/21/51/237362151.db2.gz BGTFHPSEEWUXPY-AAEUAGOBSA-N 2 0 291.420 2.929 20 0 CFADRP C[C@@H]([NH2+]CCc1cccc2ccccc21)C1C[NH2+]C1 ZINC000422943821 237374294 /nfs/dbraw/zinc/37/42/94/237374294.db2.gz YRTBKPAGDJYUBU-CYBMUJFWSA-N 2 0 254.377 2.580 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422935934 237363120 /nfs/dbraw/zinc/36/31/20/237363120.db2.gz BCGGRURSXUENCO-WFASDCNBSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(F)c1F ZINC000297295928 200138301 /nfs/dbraw/zinc/13/83/01/200138301.db2.gz HJENXWYMWQMPLX-SNVBAGLBSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422936656 237369193 /nfs/dbraw/zinc/36/91/93/237369193.db2.gz FNAQELLVJMNMBX-QWRGUYRKSA-N 2 0 290.329 2.800 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000422940022 237371453 /nfs/dbraw/zinc/37/14/53/237371453.db2.gz MWYZMYMZYYNYFE-HTQZYQBOSA-N 2 0 277.231 2.726 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000422916920 237345558 /nfs/dbraw/zinc/34/55/58/237345558.db2.gz BXQMMADCKXZYMZ-VHSSKADRSA-N 2 0 284.403 2.682 20 0 CFADRP CCc1ncc(C[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000297408983 200179842 /nfs/dbraw/zinc/17/98/42/200179842.db2.gz CUMSDMBOLIZOKQ-UHFFFAOYSA-N 2 0 272.377 2.643 20 0 CFADRP Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000422951749 237383950 /nfs/dbraw/zinc/38/39/50/237383950.db2.gz AAGMVPXVKXUIAX-IUODEOHRSA-N 2 0 262.397 2.844 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957392 237386175 /nfs/dbraw/zinc/38/61/75/237386175.db2.gz TVJBAEBZQDIYOR-XHDPSFHLSA-N 2 0 284.806 2.999 20 0 CFADRP Fc1cccc2c1OCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422965323 237393636 /nfs/dbraw/zinc/39/36/36/237393636.db2.gz KSWKEUWHRDUBKT-OUEWMDHJSA-N 2 0 276.355 2.522 20 0 CFADRP CCOc1ncccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422964660 237394375 /nfs/dbraw/zinc/39/43/75/237394375.db2.gz MHUZUZZTMJLOOC-CVEARBPZSA-N 2 0 283.375 2.715 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCc2ccc(CO)c(F)c2)c2ccccc21 ZINC000422965411 237394518 /nfs/dbraw/zinc/39/45/18/237394518.db2.gz OMYUTMQJHJMLAO-IAGOWNOFSA-N 2 0 286.350 2.552 20 0 CFADRP c1cn2c(cccc2CN2CC(COc3ccccc3)C2)n1 ZINC000297468371 200201206 /nfs/dbraw/zinc/20/12/06/200201206.db2.gz SEDHKZQZSLTCQK-UHFFFAOYSA-N 2 0 293.370 2.845 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423030709 237459038 /nfs/dbraw/zinc/45/90/38/237459038.db2.gz UFNUFGAMLZCHRD-KKUMJFAQSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000037220953 540658898 /nfs/dbraw/zinc/65/88/98/540658898.db2.gz XZKUSQPDYQXPLY-SUMWQHHRSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000333184661 296000362 /nfs/dbraw/zinc/00/03/62/296000362.db2.gz SQWLHDBERPVFME-GJZGRUSLSA-N 3 0 267.461 2.548 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000333899590 283485482 /nfs/dbraw/zinc/48/54/82/283485482.db2.gz ZNRPQFIHEMAIBR-WWGRRREGSA-N 2 0 259.397 2.650 20 0 CFADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000258904223 540675007 /nfs/dbraw/zinc/67/50/07/540675007.db2.gz MRFUFZBSOIWUIF-OAHLLOKOSA-N 2 0 254.377 2.881 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000297763000 200277164 /nfs/dbraw/zinc/27/71/64/200277164.db2.gz OWGKPKPBJFJOPI-ZBFHGGJFSA-N 2 0 295.496 2.672 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000297762999 200277331 /nfs/dbraw/zinc/27/73/31/200277331.db2.gz OWGKPKPBJFJOPI-HOCLYGCPSA-N 2 0 295.496 2.672 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671296521 540686936 /nfs/dbraw/zinc/68/69/36/540686936.db2.gz SDQFOOAGXFFGDO-HOTGVXAUSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000177269971 189041084 /nfs/dbraw/zinc/04/10/84/189041084.db2.gz SWSBZXDWPIPAOJ-CYBMUJFWSA-N 2 0 262.397 2.515 20 0 CFADRP CN(c1ccccc1C[NH2+]CC1CC1)C1CC[NH+](C)CC1 ZINC000177560428 189056785 /nfs/dbraw/zinc/05/67/85/189056785.db2.gz AYADFLOOPBFOTB-UHFFFAOYSA-N 2 0 287.451 2.717 20 0 CFADRP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000177986401 189083454 /nfs/dbraw/zinc/08/34/54/189083454.db2.gz BDXLLIIPYSWFLS-DZKIICNBSA-N 2 0 276.424 2.822 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000231786937 540745231 /nfs/dbraw/zinc/74/52/31/540745231.db2.gz JQBDQBIYYKDJGT-KRWDZBQOSA-N 2 0 276.424 2.622 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000435877091 240363338 /nfs/dbraw/zinc/36/33/38/240363338.db2.gz NEUHMJZWQJUJIT-UHFFFAOYSA-N 2 0 286.423 2.551 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccsc1 ZINC000178378936 189112073 /nfs/dbraw/zinc/11/20/73/189112073.db2.gz ZVPRNNUHOQFAII-TZMCWYRMSA-N 2 0 270.442 2.756 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000435881211 240363979 /nfs/dbraw/zinc/36/39/79/240363979.db2.gz OBPMKKAALQFGHP-CQSZACIVSA-N 2 0 264.438 2.710 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000178683476 189137167 /nfs/dbraw/zinc/13/71/67/189137167.db2.gz AZCMZGYXWGYMCE-WMLDXEAASA-N 2 0 276.424 2.794 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000414910496 540830311 /nfs/dbraw/zinc/83/03/11/540830311.db2.gz CXTHQAZZMPXWEI-STQMWFEESA-N 2 0 288.370 2.575 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000414911302 540830361 /nfs/dbraw/zinc/83/03/61/540830361.db2.gz DUEPDRVXLHNUIP-DTSKHDKYSA-N 2 0 266.335 2.838 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423096086 238198534 /nfs/dbraw/zinc/19/85/34/238198534.db2.gz OAAJRUGIQRRHOS-NDLNZWKESA-N 2 0 268.351 2.926 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000423094059 238199029 /nfs/dbraw/zinc/19/90/29/238199029.db2.gz JDKHONYHVUIJSJ-ZNMIVQPWSA-N 2 0 294.414 2.805 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423103633 238201323 /nfs/dbraw/zinc/20/13/23/238201323.db2.gz XRQANEMKDDYZIT-BRXULGCHSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)CC1CC[NH2+]CC1 ZINC000178960759 189158035 /nfs/dbraw/zinc/15/80/35/189158035.db2.gz GYSLXYJHWDYLCQ-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423124424 238215008 /nfs/dbraw/zinc/21/50/08/238215008.db2.gz GRGKHFSEBZJDLU-CQSZACIVSA-N 2 0 260.425 2.779 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414907786 540830638 /nfs/dbraw/zinc/83/06/38/540830638.db2.gz BAQHPRUGZQYZEO-STQMWFEESA-N 2 0 284.350 2.690 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414925347 540831038 /nfs/dbraw/zinc/83/10/38/540831038.db2.gz LQDWFUKKOLBCJY-FZCLSBEQSA-N 2 0 293.499 2.889 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414925194 540831053 /nfs/dbraw/zinc/83/10/53/540831053.db2.gz LLPWNIQZHYJGRR-CABCVRRESA-N 2 0 292.423 2.844 20 0 CFADRP Cc1cc(CCN[C@H](C)[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423125585 238217349 /nfs/dbraw/zinc/21/73/49/238217349.db2.gz AGMDFOZTXVXRKN-IUODEOHRSA-N 2 0 266.816 2.921 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000414927284 540831430 /nfs/dbraw/zinc/83/14/30/540831430.db2.gz ORUQDSFNYDGNDM-NEPJUHHUSA-N 2 0 298.814 2.717 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000423126836 238218199 /nfs/dbraw/zinc/21/81/99/238218199.db2.gz OXNNNHLUTZDXBC-KKUMJFAQSA-N 2 0 264.413 2.697 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414934868 540831816 /nfs/dbraw/zinc/83/18/16/540831816.db2.gz YGSXOHWXTSSQEI-KKUMJFAQSA-N 2 0 289.423 2.572 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1SC ZINC000414931987 540831859 /nfs/dbraw/zinc/83/18/59/540831859.db2.gz VDNPVRJHUZFSDL-OLZOCXBDSA-N 2 0 280.437 2.777 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414934879 540831934 /nfs/dbraw/zinc/83/19/34/540831934.db2.gz YGSXOHWXTSSQEI-ZNMIVQPWSA-N 2 0 289.423 2.572 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000423129644 238219572 /nfs/dbraw/zinc/21/95/72/238219572.db2.gz XKBUJCUGKZTEOH-SMDDNHRTSA-N 2 0 270.804 2.745 20 0 CFADRP C[C@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422706425 299315850 /nfs/dbraw/zinc/31/58/50/299315850.db2.gz DZKQFZHIRGPQFE-IAOVAPTHSA-N 2 0 293.430 2.549 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1Cl ZINC000423139072 238226862 /nfs/dbraw/zinc/22/68/62/238226862.db2.gz KEZWDSUEVLFNLO-DUVNUKRYSA-N 2 0 296.842 2.533 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142859 238228527 /nfs/dbraw/zinc/22/85/27/238228527.db2.gz BLLYXSBMCZUAPG-RYPNDVFKSA-N 2 0 254.393 2.777 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423146020 238234382 /nfs/dbraw/zinc/23/43/82/238234382.db2.gz NNUQNKPAYVZEFP-KNXALSJPSA-N 2 0 262.372 2.920 20 0 CFADRP C[NH2+]CCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000435886230 240366915 /nfs/dbraw/zinc/36/69/15/240366915.db2.gz UUHNVHRUFZRAGR-UHFFFAOYSA-N 2 0 270.376 2.914 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000423152002 238235463 /nfs/dbraw/zinc/23/54/63/238235463.db2.gz FAABSCQEHZWSJB-LBPRGKRZSA-N 2 0 250.361 2.618 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152166 238235574 /nfs/dbraw/zinc/23/55/74/238235574.db2.gz DSPLTZPSMZWEEG-IINYFYTJSA-N 2 0 286.778 2.575 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423152147 238237556 /nfs/dbraw/zinc/23/75/56/238237556.db2.gz DQYZNUSZXCRAFL-CMPLNLGQSA-N 2 0 287.329 2.578 20 0 CFADRP Cc1ccc(F)c(CC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423152783 238239870 /nfs/dbraw/zinc/23/98/70/238239870.db2.gz MHVKPBNUNWNDGZ-UHFFFAOYSA-N 2 0 264.388 2.784 20 0 CFADRP COC[C@@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423153607 238239878 /nfs/dbraw/zinc/23/98/78/238239878.db2.gz NKTYZEGIGKDLDR-TZMCWYRMSA-N 2 0 284.831 2.787 20 0 CFADRP COC[C@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423153606 238240307 /nfs/dbraw/zinc/24/03/07/238240307.db2.gz NKTYZEGIGKDLDR-OCCSQVGLSA-N 2 0 284.831 2.787 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000423133829 238221944 /nfs/dbraw/zinc/22/19/44/238221944.db2.gz DDUMAELQIQYORK-HIFRSBDPSA-N 2 0 266.816 2.908 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)(C)C ZINC000670268465 540849319 /nfs/dbraw/zinc/84/93/19/540849319.db2.gz IPPIXWGJPHBHDX-AWEZNQCLSA-N 2 0 293.455 2.794 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423132866 238223046 /nfs/dbraw/zinc/22/30/46/238223046.db2.gz POBDIPUYCIZWCL-ULQDDVLXSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423136423 238224011 /nfs/dbraw/zinc/22/40/11/238224011.db2.gz ZAQKQNBVDFNRMD-NAZJXLNTSA-N 2 0 288.435 2.854 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000684387363 540841416 /nfs/dbraw/zinc/84/14/16/540841416.db2.gz IMIXOZHQYYFQNT-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP c1coc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423173781 238253817 /nfs/dbraw/zinc/25/38/17/238253817.db2.gz AAJLTMSEBHMILB-NJVJYBDUSA-N 2 0 260.381 2.646 20 0 CFADRP COC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423166508 238249049 /nfs/dbraw/zinc/24/90/49/238249049.db2.gz CXCDMNKJAJNOQK-GADNRMJZSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c2ccccc12 ZINC000423169294 238251468 /nfs/dbraw/zinc/25/14/68/238251468.db2.gz IXCOVNCXASZAAJ-NIKGAXFTSA-N 2 0 298.430 2.990 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423203658 238274681 /nfs/dbraw/zinc/27/46/81/238274681.db2.gz CTDZRYMQVCHQMD-NEPJUHHUSA-N 2 0 275.421 2.947 20 0 CFADRP COC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)C1CCCC1 ZINC000423208040 238278484 /nfs/dbraw/zinc/27/84/84/238278484.db2.gz YLDCAOLZPYTXMY-OAHLLOKOSA-N 2 0 268.445 2.833 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000387438688 540863924 /nfs/dbraw/zinc/86/39/24/540863924.db2.gz RTKZLHRXSJMPBH-FUHWJXTLSA-N 2 0 292.467 2.988 20 0 CFADRP COCCC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000423226043 238289821 /nfs/dbraw/zinc/28/98/21/238289821.db2.gz PFRXNCTVQNSLOF-SWLSCSKDSA-N 2 0 268.376 2.620 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccccc1OC(F)(F)F ZINC000423227817 238291503 /nfs/dbraw/zinc/29/15/03/238291503.db2.gz XCNHEHVCNQMCJG-VHSXEESVSA-N 2 0 276.302 2.973 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC[NH2+]2)C3)cc1 ZINC000423236645 238298707 /nfs/dbraw/zinc/29/87/07/238298707.db2.gz OUFKKGHICLTOIR-CADBVGFASA-N 2 0 299.462 2.524 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423217425 238283348 /nfs/dbraw/zinc/28/33/48/238283348.db2.gz UDTVITAZVZIWTF-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)N(C)c2ccccc2)CC1 ZINC000156124356 540917574 /nfs/dbraw/zinc/91/75/74/540917574.db2.gz XRGLPFOFTZMVKA-INIZCTEOSA-N 2 0 289.467 2.975 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423242971 238302855 /nfs/dbraw/zinc/30/28/55/238302855.db2.gz FYJHJBRUBYKVFK-KFWWJZLASA-N 2 0 276.424 2.776 20 0 CFADRP COCCC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423243557 238304106 /nfs/dbraw/zinc/30/41/06/238304106.db2.gz GNTPMYXAAVXSQG-WMLDXEAASA-N 2 0 294.414 2.883 20 0 CFADRP Fc1cccc2c1SCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249538 238308152 /nfs/dbraw/zinc/30/81/52/238308152.db2.gz OSLPDFPOCBSIMV-BXUZGUMPSA-N 2 0 280.412 2.952 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423253359 238311093 /nfs/dbraw/zinc/31/10/93/238311093.db2.gz VVENEWUUYDFANP-LBTBCDHLSA-N 2 0 288.435 2.776 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423262321 238316416 /nfs/dbraw/zinc/31/64/16/238316416.db2.gz VBMOHFZNVNYKNB-OLZOCXBDSA-N 2 0 250.361 2.866 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1C ZINC000423262504 238317544 /nfs/dbraw/zinc/31/75/44/238317544.db2.gz VNOOWBWHEAWZBK-SWLSCSKDSA-N 2 0 278.444 2.560 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423262323 238318172 /nfs/dbraw/zinc/31/81/72/238318172.db2.gz VBMOHFZNVNYKNB-STQMWFEESA-N 2 0 250.361 2.866 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423283182 238343036 /nfs/dbraw/zinc/34/30/36/238343036.db2.gz DUAWJCDNCKPKMA-VXGBXAGGSA-N 2 0 280.412 2.523 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1N(C)C ZINC000423283018 238343328 /nfs/dbraw/zinc/34/33/28/238343328.db2.gz VQMJPPDHMYIOKO-SQWLQELKSA-N 2 0 275.440 2.921 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[NH+](C)C)CC3 ZINC000179969572 189230122 /nfs/dbraw/zinc/23/01/22/189230122.db2.gz XWEICTTYUWKVAJ-AWEZNQCLSA-N 2 0 285.435 2.875 20 0 CFADRP COCCC[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423276573 238332029 /nfs/dbraw/zinc/33/20/29/238332029.db2.gz NDGZJIGUWVLJDE-AWEZNQCLSA-N 2 0 256.434 2.704 20 0 CFADRP [NH3+][C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423314653 238367309 /nfs/dbraw/zinc/36/73/09/238367309.db2.gz HLXJWDGCDFKLKE-AKHDSKFASA-N 2 0 299.462 2.509 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423314408 238367837 /nfs/dbraw/zinc/36/78/37/238367837.db2.gz HBLZLPNGCVPOPO-GAEVZRCVSA-N 2 0 274.408 2.514 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000157613885 540956158 /nfs/dbraw/zinc/95/61/58/540956158.db2.gz CTAAWAYGWQGXND-RDJZCZTQSA-N 2 0 274.383 2.887 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423297000 238352902 /nfs/dbraw/zinc/35/29/02/238352902.db2.gz IIAFTKPIUHTLCE-UEKVPHQBSA-N 2 0 250.361 2.634 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358115020 540959359 /nfs/dbraw/zinc/95/93/59/540959359.db2.gz VFVZUXWMRBLAAV-SJORKVTESA-N 2 0 288.435 2.844 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000423296735 238354844 /nfs/dbraw/zinc/35/48/44/238354844.db2.gz HPNVEELFYOIDCZ-NXEZZACHSA-N 2 0 276.302 2.831 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CC2 ZINC000157727056 540960620 /nfs/dbraw/zinc/96/06/20/540960620.db2.gz CNBAMEMOAWCOCT-WBVHZDCISA-N 2 0 274.383 2.887 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423298840 238356014 /nfs/dbraw/zinc/35/60/14/238356014.db2.gz OXTZLFLZYJHCLH-NXEZZACHSA-N 2 0 276.302 2.831 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423301708 238358467 /nfs/dbraw/zinc/35/84/67/238358467.db2.gz UQPFURBUWKAVIJ-NXEZZACHSA-N 2 0 276.302 2.831 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000685615261 540946321 /nfs/dbraw/zinc/94/63/21/540946321.db2.gz BWDPGCKCOSAOCG-SJLPKXTDSA-N 2 0 293.499 2.596 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000685615264 540946441 /nfs/dbraw/zinc/94/64/41/540946441.db2.gz BWDPGCKCOSAOCG-WMZOPIPTSA-N 2 0 293.499 2.596 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000423324806 238378482 /nfs/dbraw/zinc/37/84/82/238378482.db2.gz IZUZKTUZSSWIFG-LRDDRELGSA-N 2 0 280.387 2.875 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000390297915 540973436 /nfs/dbraw/zinc/97/34/36/540973436.db2.gz KBQCCXBEIKIIKH-UHFFFAOYSA-N 2 0 260.303 2.535 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC1(C)C ZINC000666090262 540976745 /nfs/dbraw/zinc/97/67/45/540976745.db2.gz SEYHBXFBSVEOGU-PVAVHDDUSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)oc1C ZINC000423320072 238372505 /nfs/dbraw/zinc/37/25/05/238372505.db2.gz FBNPKHCZONSVFZ-LBPRGKRZSA-N 2 0 250.386 2.937 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423336495 238389239 /nfs/dbraw/zinc/38/92/39/238389239.db2.gz HAAIUFMOEXYVQX-YVEFUNNKSA-N 2 0 274.383 2.958 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423341395 238390080 /nfs/dbraw/zinc/39/00/80/238390080.db2.gz CLVFFWXTTWUSHR-ZWKOTPCHSA-N 2 0 270.420 2.907 20 0 CFADRP C[C@@]1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCC[NH2+]C1 ZINC000423339614 238391276 /nfs/dbraw/zinc/39/12/76/238391276.db2.gz LJUOQUJZTGHHAI-HZPDHXFCSA-N 2 0 277.387 2.651 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423342122 238394304 /nfs/dbraw/zinc/39/43/04/238394304.db2.gz VBEVBRVVFSAHQX-NSHDSACASA-N 2 0 272.339 2.986 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423510598 238506187 /nfs/dbraw/zinc/50/61/87/238506187.db2.gz MQUQPFWZEIIRIW-BBRMVZONSA-N 2 0 272.396 2.551 20 0 CFADRP Cc1noc(C2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000423491290 238492103 /nfs/dbraw/zinc/49/21/03/238492103.db2.gz YXJCMPNXSNBMNV-SLTAFYQDSA-N 2 0 292.427 2.526 20 0 CFADRP COc1cccc(C[NH2+]CCC2CC[NH+](C)CC2)c1F ZINC000187573297 541050282 /nfs/dbraw/zinc/05/02/82/541050282.db2.gz WZAMRFNTXAFQRL-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423517268 238510219 /nfs/dbraw/zinc/51/02/19/238510219.db2.gz BLWXUEUCGNAJFG-IILICJAHSA-N 2 0 274.452 2.918 20 0 CFADRP C[C@H](CC[NH+](C)C)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424152908 238686700 /nfs/dbraw/zinc/68/67/00/238686700.db2.gz JGPSYTXYUBEVHD-ZBFHGGJFSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000666774599 541143257 /nfs/dbraw/zinc/14/32/57/541143257.db2.gz DENWZKXMLVIQOT-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666825476 541148183 /nfs/dbraw/zinc/14/81/83/541148183.db2.gz NECIWTWOYRDTMO-GFCCVEGCSA-N 2 0 298.390 2.518 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000666857609 541152740 /nfs/dbraw/zinc/15/27/40/541152740.db2.gz AWWKCFLUVNFPPH-QGZVFWFLSA-N 2 0 298.434 2.627 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666857901 541152792 /nfs/dbraw/zinc/15/27/92/541152792.db2.gz OXFSFXSGIFLAHK-ZDUSSCGKSA-N 2 0 256.752 2.711 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1CNCc1cccc(-n2cccn2)c1 ZINC000666869532 541154830 /nfs/dbraw/zinc/15/48/30/541154830.db2.gz VHSPWIANGUCGPM-QGZVFWFLSA-N 2 0 298.434 2.740 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2c1 ZINC000666743571 541137624 /nfs/dbraw/zinc/13/76/24/541137624.db2.gz DNNMQVNVFZFQJP-IUODEOHRSA-N 2 0 258.365 2.958 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000666920445 541160275 /nfs/dbraw/zinc/16/02/75/541160275.db2.gz HSSGLLCHACXPFW-RHSMWYFYSA-N 2 0 296.418 2.751 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950705 541165234 /nfs/dbraw/zinc/16/52/34/541165234.db2.gz BRZYEEQSPZNRAC-CYBMUJFWSA-N 2 0 284.325 2.937 20 0 CFADRP Brc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950794 541165492 /nfs/dbraw/zinc/16/54/92/541165492.db2.gz IDCLCSCDFOHLBA-ZDUSSCGKSA-N 2 0 295.224 2.681 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952146 541165877 /nfs/dbraw/zinc/16/58/77/541165877.db2.gz HTTYQNJCYJAWEV-INIZCTEOSA-N 2 0 274.408 2.706 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666952414 541165971 /nfs/dbraw/zinc/16/59/71/541165971.db2.gz VPAMUUGLKZHVFB-SNVBAGLBSA-N 2 0 256.802 2.633 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666952512 541166055 /nfs/dbraw/zinc/16/60/55/541166055.db2.gz ZBDQMJRHHZDSQG-ZDUSSCGKSA-N 2 0 250.411 2.542 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666953634 541166271 /nfs/dbraw/zinc/16/62/71/541166271.db2.gz CUDHXEWQXYZIBN-KBAYOESNSA-N 2 0 299.462 2.554 20 0 CFADRP Clc1sccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953630 541166577 /nfs/dbraw/zinc/16/65/77/541166577.db2.gz CRBVUTCUTHBLJE-SNVBAGLBSA-N 2 0 256.802 2.633 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954387 541166720 /nfs/dbraw/zinc/16/67/20/541166720.db2.gz VZTKQXYCARFQDR-HZPDHXFCSA-N 2 0 258.409 2.739 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000666975877 541169547 /nfs/dbraw/zinc/16/95/47/541169547.db2.gz CUCDMIDAWKWDBW-KRWDZBQOSA-N 2 0 294.402 2.904 20 0 CFADRP C[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C[NH+](C)C ZINC000425941381 239140362 /nfs/dbraw/zinc/14/03/62/239140362.db2.gz ZELZBJJYFMUADK-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc2cccnc12 ZINC000425999472 239154030 /nfs/dbraw/zinc/15/40/30/239154030.db2.gz PDXHYZOHFNVBCM-CALCHBBNSA-N 2 0 281.403 2.537 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C[C@@H]1C[NH3+] ZINC000667039973 541177926 /nfs/dbraw/zinc/17/79/26/541177926.db2.gz CELYKVFWKXAZGA-CJNGLKHVSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H](C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C(C)(C)C ZINC000667042281 541178365 /nfs/dbraw/zinc/17/83/65/541178365.db2.gz SEMMHZQSRLFWQR-VNQPRFMTSA-N 2 0 282.472 2.887 20 0 CFADRP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CCCC1 ZINC000667564237 541258276 /nfs/dbraw/zinc/25/82/76/541258276.db2.gz GJPRLXACCNPUTH-UHFFFAOYSA-N 2 0 270.380 2.889 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000430898382 541278689 /nfs/dbraw/zinc/27/86/89/541278689.db2.gz BZHSOPSOIJBMCU-QWHCGFSZSA-N 2 0 298.390 2.896 20 0 CFADRP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCC1 ZINC000667659035 541281545 /nfs/dbraw/zinc/28/15/45/541281545.db2.gz YEVGNEJCYATNHV-UHFFFAOYSA-N 2 0 256.353 2.642 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CO[C@H](C2CC2)C1)C1CCCCC1 ZINC000667767659 541308810 /nfs/dbraw/zinc/30/88/10/541308810.db2.gz PVBINUYXVQITIG-WBVHZDCISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786998 541314491 /nfs/dbraw/zinc/31/44/91/541314491.db2.gz GRMFIMQDQPAPFR-DJIMGWMZSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000548713564 370700058 /nfs/dbraw/zinc/70/00/58/370700058.db2.gz PFVITSZDQRCTFA-CQSZACIVSA-N 2 0 286.423 2.717 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667913133 541341085 /nfs/dbraw/zinc/34/10/85/541341085.db2.gz ZDACMOZKMDWXFE-MXPGSBBYSA-N 2 0 250.430 2.885 20 0 CFADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCC1 ZINC000322264607 541361348 /nfs/dbraw/zinc/36/13/48/541361348.db2.gz IGHIWKPKEOABTM-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000430925872 239822758 /nfs/dbraw/zinc/82/27/58/239822758.db2.gz FFTTXXFJOYJCDP-INIZCTEOSA-N 2 0 290.451 2.695 20 0 CFADRP CC[C@@](C)(C[NH2+]C1CC[NH+](CC(C)C)CC1)OC ZINC000322802265 541376783 /nfs/dbraw/zinc/37/67/83/541376783.db2.gz QOYGSAOIMRYCKW-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000435379776 240306282 /nfs/dbraw/zinc/30/62/82/240306282.db2.gz NKBLFGVSMYTNQJ-IUIKQTSFSA-N 2 0 286.375 2.611 20 0 CFADRP CC[N@H+](CCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435612790 240330563 /nfs/dbraw/zinc/33/05/63/240330563.db2.gz HLOPUVCUYUYGOT-HNNXBMFYSA-N 2 0 262.397 2.529 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435617343 240333112 /nfs/dbraw/zinc/33/31/12/240333112.db2.gz OYFLNNNZDWEHEG-INIZCTEOSA-N 2 0 276.424 2.838 20 0 CFADRP CC[N@H+](CCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622835 240333431 /nfs/dbraw/zinc/33/34/31/240333431.db2.gz AVMLBFGZXVFPSK-OAHLLOKOSA-N 2 0 280.387 2.669 20 0 CFADRP Cc1ccncc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000275335192 193003229 /nfs/dbraw/zinc/00/32/29/193003229.db2.gz WTCVXEYGHLAPJE-ROUUACIJSA-N 2 0 287.451 2.739 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438087439 240626977 /nfs/dbraw/zinc/62/69/77/240626977.db2.gz LFKCYTMUZHWOIH-HZPDHXFCSA-N 2 0 268.445 2.515 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000275835462 193142089 /nfs/dbraw/zinc/14/20/89/193142089.db2.gz IJIJWQZKENWYSK-MRXNPFEDSA-N 2 0 298.434 2.821 20 0 CFADRP C[C@H](CCC1CCCC1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876517 241013989 /nfs/dbraw/zinc/01/39/89/241013989.db2.gz RLPASXREWIDTFU-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000442924788 241021442 /nfs/dbraw/zinc/02/14/42/241021442.db2.gz YTTRPDRDVZBLQB-OAHLLOKOSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442924697 241021998 /nfs/dbraw/zinc/02/19/98/241021998.db2.gz SSKFZDJHBROYPN-NVXWUHKLSA-N 2 0 260.425 2.926 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@@H](C)[NH+](C)C)c1C ZINC000443446993 241063314 /nfs/dbraw/zinc/06/33/14/241063314.db2.gz NXOMPAFMDLLERZ-LLVKDONJSA-N 2 0 257.381 2.636 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCN(C)c2ccccc2)C[C@@H]1C ZINC000444297677 241133622 /nfs/dbraw/zinc/13/36/22/241133622.db2.gz ZBPURHCRYLBQHF-WMZOPIPTSA-N 2 0 289.467 2.927 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000445400673 241216723 /nfs/dbraw/zinc/21/67/23/241216723.db2.gz GPDKAJBKFGMVMM-JKSUJKDBSA-N 2 0 270.461 2.854 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446753020 241322730 /nfs/dbraw/zinc/32/27/30/241322730.db2.gz RADCKXGCTKYVDP-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446891250 241335392 /nfs/dbraw/zinc/33/53/92/241335392.db2.gz WBBXPZQATZOTSE-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1C(C)(C)C1(C)C ZINC000446966036 241342674 /nfs/dbraw/zinc/34/26/74/241342674.db2.gz MHBXHLLZAUPANE-HNNXBMFYSA-N 2 0 295.515 2.674 20 0 CFADRP Cc1cc([C@H]([NH2+]CCOCC[NH+](C)C)C2CC2)ccc1F ZINC000447598608 241391873 /nfs/dbraw/zinc/39/18/73/241391873.db2.gz VXSKXQXXSSZUQA-QGZVFWFLSA-N 2 0 294.414 2.753 20 0 CFADRP Cc1ccc2cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)oc2c1 ZINC000447598931 241392497 /nfs/dbraw/zinc/39/24/97/241392497.db2.gz IUSAPDFUXZHNBJ-CQSZACIVSA-N 2 0 290.407 2.970 20 0 CFADRP Cc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1F ZINC000449026938 241643592 /nfs/dbraw/zinc/64/35/92/241643592.db2.gz KOJPDZDXOBDNTD-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)C1CCC1 ZINC000449225463 241776770 /nfs/dbraw/zinc/77/67/70/241776770.db2.gz TYXVMFWSHDTDOT-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)CCO1 ZINC000449526918 242003933 /nfs/dbraw/zinc/00/39/33/242003933.db2.gz FXXWVYJOYQFDLU-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP Cn1cnc2cc(C[NH2+]C(C)(C)CCC[NH+](C)C)ccc21 ZINC000449527853 242005448 /nfs/dbraw/zinc/00/54/48/242005448.db2.gz LIJKXUSPZWSRFY-UHFFFAOYSA-N 2 0 288.439 2.783 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449529174 242006847 /nfs/dbraw/zinc/00/68/47/242006847.db2.gz VJMQIWDDMJYTJM-UHFFFAOYSA-N 2 0 280.460 2.982 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](C)O ZINC000449536153 242012246 /nfs/dbraw/zinc/01/22/46/242012246.db2.gz FARDFUODWXUEKI-CZUORRHYSA-N 2 0 268.445 2.533 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCCOC3)C2)CC1 ZINC000674303831 541557532 /nfs/dbraw/zinc/55/75/32/541557532.db2.gz YPBOCURGOOYWEG-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccncc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560125 242032330 /nfs/dbraw/zinc/03/23/30/242032330.db2.gz GKDBCMYSVHNGTF-ALOPSCKCSA-N 2 0 273.424 2.537 20 0 CFADRP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]([NH3+])c1ccccc1 ZINC000449669896 242099538 /nfs/dbraw/zinc/09/95/38/242099538.db2.gz WGTNLPAYGJGHRA-YVEFUNNKSA-N 2 0 295.386 2.564 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]3O)CC2)C1 ZINC000449737926 242126713 /nfs/dbraw/zinc/12/67/13/242126713.db2.gz VXQOMFITAXKRKW-CWLKWCNXSA-N 2 0 294.483 2.780 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742650 242130752 /nfs/dbraw/zinc/13/07/52/242130752.db2.gz PXJAMUHJNNBXAA-YOEHRIQHSA-N 2 0 282.391 2.711 20 0 CFADRP C[N@H+](CCCOC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000674909280 541603962 /nfs/dbraw/zinc/60/39/62/541603962.db2.gz NWNYLMBXBKEHPM-HNNXBMFYSA-N 2 0 270.461 2.998 20 0 CFADRP C1=C(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCC1 ZINC000450265894 242333745 /nfs/dbraw/zinc/33/37/45/242333745.db2.gz LUUBLJISJMOBQQ-UHFFFAOYSA-N 2 0 292.467 2.921 20 0 CFADRP CCc1cc(NCc2ccccc2OCC[NH+](C)C)cc[nH+]1 ZINC000450290520 242343589 /nfs/dbraw/zinc/34/35/89/242343589.db2.gz RHDTYEUEQBEZOU-UHFFFAOYSA-N 2 0 299.418 2.618 20 0 CFADRP CCc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc[nH+]1 ZINC000450213876 242310215 /nfs/dbraw/zinc/31/02/15/242310215.db2.gz IMFHAQONSSOSLD-MRXNPFEDSA-N 2 0 285.391 2.908 20 0 CFADRP CCc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc[nH+]1 ZINC000450213873 242311284 /nfs/dbraw/zinc/31/12/84/242311284.db2.gz IMFHAQONSSOSLD-INIZCTEOSA-N 2 0 285.391 2.908 20 0 CFADRP CCc1cc(NC[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000450216875 242311371 /nfs/dbraw/zinc/31/13/71/242311371.db2.gz OJRKMDSQSXQECX-QGZVFWFLSA-N 2 0 269.392 2.781 20 0 CFADRP CCc1cc(N2CC[C@@H](OCC[NH+](CC)CC)C2)cc[nH+]1 ZINC000450362289 242377726 /nfs/dbraw/zinc/37/77/26/242377726.db2.gz FXGGCUJYTRQNAL-QGZVFWFLSA-N 2 0 291.439 2.581 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCC1)C1C[NH2+]C1 ZINC000422900298 296120037 /nfs/dbraw/zinc/12/00/37/296120037.db2.gz ALEOFGAZYWYSBT-GFCCVEGCSA-N 2 0 278.827 2.959 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C1C[NH2+]C1 ZINC000422875096 296120282 /nfs/dbraw/zinc/12/02/82/296120282.db2.gz BTWGCMBBHPBPQU-CYBMUJFWSA-N 2 0 276.399 2.835 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)c1ccccc1Cl ZINC000675645458 541675550 /nfs/dbraw/zinc/67/55/50/541675550.db2.gz NESJOHKFPHOQPI-BYCMXARLSA-N 2 0 282.815 2.567 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccc1Cl ZINC000675645461 541675596 /nfs/dbraw/zinc/67/55/96/541675596.db2.gz NESJOHKFPHOQPI-TUKIKUTGSA-N 2 0 282.815 2.567 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc2c(s1)CCC2 ZINC000423399704 299388549 /nfs/dbraw/zinc/38/85/49/299388549.db2.gz PUWLFXJBPWJPCO-NTZNESFSSA-N 2 0 264.438 2.885 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000346560899 296121533 /nfs/dbraw/zinc/12/15/33/296121533.db2.gz PKVXKNTWPGBXFL-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP C(C[C@H]1CCCO1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000675742078 541687422 /nfs/dbraw/zinc/68/74/22/541687422.db2.gz IBYPCTGITTYULU-QGZVFWFLSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675765725 541689592 /nfs/dbraw/zinc/68/95/92/541689592.db2.gz OGKYLBWFGITJBK-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423480044 296124636 /nfs/dbraw/zinc/12/46/36/296124636.db2.gz MRMWEUPMEZKKHV-OCCSQVGLSA-N 2 0 256.459 2.640 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000453056981 243381676 /nfs/dbraw/zinc/38/16/76/243381676.db2.gz CYYCBSPVCQTWGB-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)(C)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675877076 541701752 /nfs/dbraw/zinc/70/17/52/541701752.db2.gz BTUXCXXYVLDYKB-KRWDZBQOSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000453087860 243395021 /nfs/dbraw/zinc/39/50/21/243395021.db2.gz QGQDSKNUIFEVOA-RDJZCZTQSA-N 2 0 287.451 2.867 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453412700 243566272 /nfs/dbraw/zinc/56/62/72/243566272.db2.gz WHNRJQDZEITMAO-VNQPRFMTSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000675925307 541709817 /nfs/dbraw/zinc/70/98/17/541709817.db2.gz LNIXOUMESNPZAV-CZUORRHYSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)[C@@H](C)C1 ZINC000675928948 541709929 /nfs/dbraw/zinc/70/99/29/541709929.db2.gz WPWYLHGZDQIRPJ-DZKIICNBSA-N 2 0 261.413 2.505 20 0 CFADRP COCc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000676715921 541781534 /nfs/dbraw/zinc/78/15/34/541781534.db2.gz NVYLVCNWSSCGBY-UHFFFAOYSA-N 2 0 297.402 2.550 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000422767962 296145138 /nfs/dbraw/zinc/14/51/38/296145138.db2.gz NKAGRLKAZMPLCR-OLZOCXBDSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000335155455 296161535 /nfs/dbraw/zinc/16/15/35/296161535.db2.gz IAQUVVJXSLFZND-WBMJQRKESA-N 2 0 258.409 2.997 20 0 CFADRP CC(C)OC1CC([NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000459306777 245129785 /nfs/dbraw/zinc/12/97/85/245129785.db2.gz RIAXSKMKPFBLID-UHFFFAOYSA-N 2 0 280.456 2.750 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459410102 245169082 /nfs/dbraw/zinc/16/90/82/245169082.db2.gz ORYPWTQGCSZROX-UHFFFAOYSA-N 2 0 288.439 2.566 20 0 CFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cn[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000677129375 541824661 /nfs/dbraw/zinc/82/46/61/541824661.db2.gz RGLWAWMHXCOAJO-DOTOQJQBSA-N 2 0 298.434 2.800 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)CC1CCOCC1 ZINC000459661065 245262403 /nfs/dbraw/zinc/26/24/03/245262403.db2.gz PNVOMKLEDAIYEH-AWEZNQCLSA-N 2 0 287.407 2.877 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000459746204 245301325 /nfs/dbraw/zinc/30/13/25/245301325.db2.gz ZBVCKVKOEISAFE-HNNXBMFYSA-N 2 0 298.434 2.898 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000459721810 245285294 /nfs/dbraw/zinc/28/52/94/245285294.db2.gz AYRGWBYBYYUUGJ-INIZCTEOSA-N 2 0 298.434 2.694 20 0 CFADRP Cc1ccc(CCC[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459793131 245329389 /nfs/dbraw/zinc/32/93/89/245329389.db2.gz SVNZUDPIWKUCCU-QGZVFWFLSA-N 2 0 275.440 2.644 20 0 CFADRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C2CCCCC2)n1 ZINC000331926515 204303345 /nfs/dbraw/zinc/30/33/45/204303345.db2.gz QCNQODYJGOAXFW-HOTGVXAUSA-N 2 0 290.455 2.827 20 0 CFADRP CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000034823850 372514114 /nfs/dbraw/zinc/51/41/14/372514114.db2.gz WTSRPNUFPCPCBB-UHFFFAOYSA-N 2 0 275.440 2.717 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034963838 372523148 /nfs/dbraw/zinc/52/31/48/372523148.db2.gz PTNYBFNEAXYRCV-UHFFFAOYSA-N 2 0 272.314 2.876 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036842661 372600647 /nfs/dbraw/zinc/60/06/47/372600647.db2.gz SKCZWFYOKJCEPL-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)OCO2 ZINC000036982018 372622558 /nfs/dbraw/zinc/62/25/58/372622558.db2.gz HCQZPRVNAIOFBI-JZIBPQBNSA-N 2 0 288.391 2.691 20 0 CFADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037042949 372641555 /nfs/dbraw/zinc/64/15/55/372641555.db2.gz YHOISZMOXVWSSO-XJKSGUPXSA-N 2 0 291.439 2.840 20 0 CFADRP CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037620490 372676084 /nfs/dbraw/zinc/67/60/84/372676084.db2.gz ZNTSFLIMYHEJHU-INIZCTEOSA-N 2 0 291.439 2.984 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2OC)C1 ZINC000037644024 372678602 /nfs/dbraw/zinc/67/86/02/372678602.db2.gz BKSFCRPFTUHCSX-GJZGRUSLSA-N 2 0 276.424 2.996 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649125 372684025 /nfs/dbraw/zinc/68/40/25/372684025.db2.gz XFTGRWUFZQXSRF-KBPBESRZSA-N 2 0 274.408 2.830 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649191 372684411 /nfs/dbraw/zinc/68/44/11/372684411.db2.gz VEYPFQIBELDSLL-KBPBESRZSA-N 2 0 274.408 2.830 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649336 372685367 /nfs/dbraw/zinc/68/53/67/372685367.db2.gz LESGKKXNZNIRBN-OLZOCXBDSA-N 2 0 262.372 2.961 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040227482 372783008 /nfs/dbraw/zinc/78/30/08/372783008.db2.gz AXCCFRMXQDPUMI-CYBMUJFWSA-N 2 0 283.213 2.765 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)c1cccs1)N1CC[NH+](C)CC1 ZINC000040770090 372787285 /nfs/dbraw/zinc/78/72/85/372787285.db2.gz HCJGMZXWBMRAOA-CABCVRRESA-N 2 0 295.496 2.671 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000333304528 205201546 /nfs/dbraw/zinc/20/15/46/205201546.db2.gz QPOIPRFOXAJEMV-HSFUPAIVSA-N 3 0 293.499 2.652 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000042439383 372924333 /nfs/dbraw/zinc/92/43/33/372924333.db2.gz OHEINBIDCQFAFV-UHFFFAOYSA-N 2 0 252.789 2.771 20 0 CFADRP C[N@@H+](Cc1ccccc1Cl)CC1CC[NH2+]CC1 ZINC000042437613 372924401 /nfs/dbraw/zinc/92/44/01/372924401.db2.gz FUPVEOTVJDARKY-UHFFFAOYSA-N 2 0 252.789 2.771 20 0 CFADRP Cc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000042895870 372966285 /nfs/dbraw/zinc/96/62/85/372966285.db2.gz ABFZWMYADLNZLI-MQVJKMGUSA-N 2 0 274.408 2.589 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000044530065 373004105 /nfs/dbraw/zinc/00/41/05/373004105.db2.gz CAWFSJPWVLLRFO-LBPRGKRZSA-N 2 0 273.355 2.545 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044533708 373005443 /nfs/dbraw/zinc/00/54/43/373005443.db2.gz ZGRGOPAYBCBZMR-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1F ZINC000045663160 373026706 /nfs/dbraw/zinc/02/67/06/373026706.db2.gz ZVZDFOJKIVENKU-NSHDSACASA-N 2 0 256.340 2.957 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000045662950 373027591 /nfs/dbraw/zinc/02/75/91/373027591.db2.gz MEOCAOAQCGMFQB-UHFFFAOYSA-N 2 0 289.467 2.582 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663359 373027729 /nfs/dbraw/zinc/02/77/29/373027729.db2.gz YQULYOFNLYSJKG-ZDUSSCGKSA-N 2 0 280.412 2.696 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000045598363 373023538 /nfs/dbraw/zinc/02/35/38/373023538.db2.gz OKFFVBDXXIUZIJ-UHFFFAOYSA-N 2 0 272.339 2.719 20 0 CFADRP CCCOc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000052921800 373458063 /nfs/dbraw/zinc/45/80/63/373458063.db2.gz SZTANIZABMSDJA-UHFFFAOYSA-N 2 0 262.397 2.646 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000053035141 373460811 /nfs/dbraw/zinc/46/08/11/373460811.db2.gz KEAPEJJCIVWQTP-AWEZNQCLSA-N 2 0 254.377 2.881 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717880 373703263 /nfs/dbraw/zinc/70/32/63/373703263.db2.gz FVVCTEYNYOMLFA-HSMVNMDESA-N 2 0 282.378 2.826 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000061626947 373723188 /nfs/dbraw/zinc/72/31/88/373723188.db2.gz DNZSDIBBCLJODV-GWCFXTLKSA-N 2 0 272.314 2.875 20 0 CFADRP Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000062051190 373742835 /nfs/dbraw/zinc/74/28/35/373742835.db2.gz LFBJSCHQNOVZMO-UHFFFAOYSA-N 2 0 282.391 2.544 20 0 CFADRP C[NH2+]CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000063166281 373788327 /nfs/dbraw/zinc/78/83/27/373788327.db2.gz GNXHHCRMNINAAT-UHFFFAOYSA-N 2 0 264.438 2.710 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000063158831 373788874 /nfs/dbraw/zinc/78/88/74/373788874.db2.gz VIVUWPVPOAIMBD-CYBMUJFWSA-N 2 0 262.397 2.688 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000063166049 373789090 /nfs/dbraw/zinc/78/90/90/373789090.db2.gz JIQOEMIFPNJEDN-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000070148539 374127100 /nfs/dbraw/zinc/12/71/00/374127100.db2.gz DWCTUKBUALUECZ-CYBMUJFWSA-N 2 0 284.350 2.991 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000070149609 374130015 /nfs/dbraw/zinc/13/00/15/374130015.db2.gz FXPYYQQRJCVAIJ-MRXNPFEDSA-N 2 0 284.407 2.576 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000070169582 374135315 /nfs/dbraw/zinc/13/53/15/374135315.db2.gz IHGYQIFBQIOLIV-LLVKDONJSA-N 2 0 254.324 2.526 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000070189041 374143463 /nfs/dbraw/zinc/14/34/63/374143463.db2.gz MKKKTXSNCJLWQY-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP Cc1ccc(C)c(OCC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000070188414 374143528 /nfs/dbraw/zinc/14/35/28/374143528.db2.gz AVSTVUCSWUKIGS-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000070498138 374187243 /nfs/dbraw/zinc/18/72/43/374187243.db2.gz MVHBLVDJBBMODK-ZDUSSCGKSA-N 2 0 258.409 2.735 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499120 374188345 /nfs/dbraw/zinc/18/83/45/374188345.db2.gz PAMFDJPQWFAQIM-OAHLLOKOSA-N 2 0 258.409 2.607 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070534435 374190945 /nfs/dbraw/zinc/19/09/45/374190945.db2.gz VTWUJMXFRMZLMR-ZIAGYGMSSA-N 2 0 262.397 2.645 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCOC1 ZINC000678151452 541962816 /nfs/dbraw/zinc/96/28/16/541962816.db2.gz MGNIZIIBKFBXFE-KRWDZBQOSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000678237309 541980611 /nfs/dbraw/zinc/98/06/11/541980611.db2.gz DPSNFZBCTLMNKH-CQSZACIVSA-N 2 0 294.464 2.564 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)O ZINC000080201545 374643749 /nfs/dbraw/zinc/64/37/49/374643749.db2.gz JOGXMMAVZRQRKB-UHFFFAOYSA-N 2 0 278.440 2.505 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510074 374658774 /nfs/dbraw/zinc/65/87/74/374658774.db2.gz OQHNLHCJKZWABD-ZFWWWQNUSA-N 2 0 288.435 2.959 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000089146121 374874812 /nfs/dbraw/zinc/87/48/12/374874812.db2.gz LFUIOFYYCZULEK-GXTWGEPZSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089147859 374874947 /nfs/dbraw/zinc/87/49/47/374874947.db2.gz ZHYOVVOGTIFESD-AAEUAGOBSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000089150564 374875408 /nfs/dbraw/zinc/87/54/08/374875408.db2.gz PXZWKTKMVULPEM-GWCFXTLKSA-N 2 0 256.752 2.696 20 0 CFADRP FC(F)(F)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000088421598 374846134 /nfs/dbraw/zinc/84/61/34/374846134.db2.gz ITUAQAPILMTJIX-UHFFFAOYSA-N 2 0 264.335 2.650 20 0 CFADRP FC(F)(F)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000088421594 374846200 /nfs/dbraw/zinc/84/62/00/374846200.db2.gz NMBFGKDEYIMXEY-LBPRGKRZSA-N 2 0 264.335 2.650 20 0 CFADRP COCc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000088568463 374855110 /nfs/dbraw/zinc/85/51/10/374855110.db2.gz JMBRGNSMOVWWTP-OAHLLOKOSA-N 2 0 276.424 2.655 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CCC1 ZINC000090456942 375016866 /nfs/dbraw/zinc/01/68/66/375016866.db2.gz DKOUAOAAYSNLHR-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253693 375098074 /nfs/dbraw/zinc/09/80/74/375098074.db2.gz NYNKMMNADARVMJ-AWEZNQCLSA-N 2 0 264.388 2.908 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000092836279 375162771 /nfs/dbraw/zinc/16/27/71/375162771.db2.gz DXDFQTLFOURNNW-CXAGYDPISA-N 2 0 274.408 2.614 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000093063476 375181155 /nfs/dbraw/zinc/18/11/55/375181155.db2.gz GEXZGGGBTQWOCJ-MRXNPFEDSA-N 2 0 289.467 2.570 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093451023 375243325 /nfs/dbraw/zinc/24/33/25/375243325.db2.gz KMMSWIKBDZTHAO-OWCLPIDISA-N 2 0 262.372 2.836 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COCC1CC1 ZINC000093488546 375253745 /nfs/dbraw/zinc/25/37/45/375253745.db2.gz COUQOXXLNLKRLW-ZACQAIPSSA-N 2 0 280.456 2.704 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(COC)cc2)[C@H](C)C1 ZINC000093638969 375277220 /nfs/dbraw/zinc/27/72/20/375277220.db2.gz IZADBVWQHAUNMX-QAPCUYQASA-N 2 0 290.451 2.995 20 0 CFADRP Cn1cccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093688737 375297315 /nfs/dbraw/zinc/29/73/15/375297315.db2.gz BUHMMZYJZHRJGS-UHFFFAOYSA-N 2 0 263.429 2.579 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093874134 375328181 /nfs/dbraw/zinc/32/81/81/375328181.db2.gz RLBBWBZCSDCXTK-UHFFFAOYSA-N 2 0 264.413 2.599 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccco1 ZINC000093514815 375261810 /nfs/dbraw/zinc/26/18/10/375261810.db2.gz NIQMBGZQBPKJEN-KGLIPLIRSA-N 2 0 250.386 2.723 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccncc1 ZINC000093515655 375262577 /nfs/dbraw/zinc/26/25/77/375262577.db2.gz LFLTVRRLCMBEPS-ZBFHGGJFSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccncc1 ZINC000093521203 375263524 /nfs/dbraw/zinc/26/35/24/375263524.db2.gz LFLTVRRLCMBEPS-GOEBONIOSA-N 2 0 261.413 2.525 20 0 CFADRP CC[N@@H+](Cc1c(F)cccc1F)CC1CC[NH2+]CC1 ZINC000094011411 375335759 /nfs/dbraw/zinc/33/57/59/375335759.db2.gz FRAYWKJINUTCLZ-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000094080158 375339717 /nfs/dbraw/zinc/33/97/17/375339717.db2.gz BGARBYHGZHKULR-QFWMXSHPSA-N 2 0 266.360 2.755 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C ZINC000094341407 375354021 /nfs/dbraw/zinc/35/40/21/375354021.db2.gz RLMKPNVQOHVIMY-NVXWUHKLSA-N 2 0 276.424 2.741 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2n[nH]c3ccccc32)[C@H](C)C1 ZINC000678277674 541997765 /nfs/dbraw/zinc/99/77/65/541997765.db2.gz MXDSEENZDHNMGP-CXAGYDPISA-N 2 0 286.423 2.725 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000678334103 542006893 /nfs/dbraw/zinc/00/68/93/542006893.db2.gz PIUXXJWMPYHTTO-GJZGRUSLSA-N 2 0 276.424 2.857 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000678611756 542054288 /nfs/dbraw/zinc/05/42/88/542054288.db2.gz KIWYFQPZMZXNOM-ZIAGYGMSSA-N 2 0 264.438 2.897 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCO1 ZINC000678599607 542049430 /nfs/dbraw/zinc/04/94/30/542049430.db2.gz YXANKJVINRZLNQ-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000111612048 375857768 /nfs/dbraw/zinc/85/77/68/375857768.db2.gz BUXMWJGDNQVUKB-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(O)(CC)CC2)CC1 ZINC000678770934 542066769 /nfs/dbraw/zinc/06/67/69/542066769.db2.gz XSNGHZWOKYUGQF-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP Cc1cc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)ccn1 ZINC000112298648 375898775 /nfs/dbraw/zinc/89/87/75/375898775.db2.gz RYVRFTBCMPJLKU-HNNXBMFYSA-N 2 0 275.396 2.839 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000678805827 542073854 /nfs/dbraw/zinc/07/38/54/542073854.db2.gz GBQLPTHRQSBPSD-INIZCTEOSA-N 2 0 292.471 2.971 20 0 CFADRP COC(=O)CCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000116402492 376186737 /nfs/dbraw/zinc/18/67/37/376186737.db2.gz VHTWSNMLMGWMIA-HZPDHXFCSA-N 2 0 296.455 2.526 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000678820602 542076807 /nfs/dbraw/zinc/07/68/07/542076807.db2.gz AMFNNPVXNBOVPV-MRXNPFEDSA-N 2 0 282.472 2.857 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841573 376320788 /nfs/dbraw/zinc/32/07/88/376320788.db2.gz TZGSKPJUOSAMQG-QGZVFWFLSA-N 2 0 298.434 2.646 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000119206125 376373460 /nfs/dbraw/zinc/37/34/60/376373460.db2.gz NOJRAUOUDIDCIK-ARFHVFGLSA-N 2 0 286.419 2.769 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000119206338 376373513 /nfs/dbraw/zinc/37/35/13/376373513.db2.gz NOJRAUOUDIDCIK-HRCADAONSA-N 2 0 286.419 2.769 20 0 CFADRP c1cnn([C@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000119940658 376509635 /nfs/dbraw/zinc/50/96/35/376509635.db2.gz MYJOAPLZHJOOHZ-IRXDYDNUSA-N 2 0 290.455 2.832 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCOCC2CC2)CC1 ZINC000119946733 376512244 /nfs/dbraw/zinc/51/22/44/376512244.db2.gz XCPQURQOVRQSLT-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CCOCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120213156 376570555 /nfs/dbraw/zinc/57/05/55/376570555.db2.gz KCCGXCIKIAHXNF-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000678923279 542092908 /nfs/dbraw/zinc/09/29/08/542092908.db2.gz DVWMBNFWAYEWCA-GVDBMIGSSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000679090638 542119952 /nfs/dbraw/zinc/11/99/52/542119952.db2.gz FRTRLSZNBWETOS-USXIJHARSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+](CC)CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093496047 284604631 /nfs/dbraw/zinc/60/46/31/284604631.db2.gz GAAPBALPNHYTNB-HOTGVXAUSA-N 2 0 269.477 2.619 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cnn(C)c1 ZINC000121650459 376876962 /nfs/dbraw/zinc/87/69/62/376876962.db2.gz OVBCTMZWHOYENY-MRXNPFEDSA-N 2 0 278.444 2.583 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CC2CC2)CC1 ZINC000122935971 376941935 /nfs/dbraw/zinc/94/19/35/376941935.db2.gz PQWBVBHZOCXHPP-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP C[C@H]1CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000122982260 376942747 /nfs/dbraw/zinc/94/27/47/376942747.db2.gz PCLVQOROJHZIEY-STQMWFEESA-N 2 0 268.445 2.795 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000037051567 284606919 /nfs/dbraw/zinc/60/69/19/284606919.db2.gz GXFFYIIJTFFZSP-ZBFHGGJFSA-N 2 0 292.471 2.898 20 0 CFADRP Cc1cnccc1CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000571674168 383716488 /nfs/dbraw/zinc/71/64/88/383716488.db2.gz OEPQKCNZTPNRQL-KRWDZBQOSA-N 2 0 287.451 2.596 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124474802 377054195 /nfs/dbraw/zinc/05/41/95/377054195.db2.gz NBLFXUBEUDXINF-HZPDHXFCSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000125292945 377138421 /nfs/dbraw/zinc/13/84/21/377138421.db2.gz VVGWHINRZSKXOE-AEFFLSMTSA-N 2 0 290.451 2.708 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000125475129 377157750 /nfs/dbraw/zinc/15/77/50/377157750.db2.gz ZFIYTYDGKVNTNZ-ZDUSSCGKSA-N 2 0 258.365 2.816 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000125724673 377185603 /nfs/dbraw/zinc/18/56/03/377185603.db2.gz FRIWOLNLOCQXLK-XHSDSOJGSA-N 2 0 276.424 2.692 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCOC1 ZINC000125930972 377201358 /nfs/dbraw/zinc/20/13/58/377201358.db2.gz NCERENYAUONPQD-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128305897 377330723 /nfs/dbraw/zinc/33/07/23/377330723.db2.gz MPWMSWGVGXASFE-KRWDZBQOSA-N 2 0 281.488 2.739 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000127475737 377284523 /nfs/dbraw/zinc/28/45/23/377284523.db2.gz SRVVINDDTZVPFN-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000127662938 377295940 /nfs/dbraw/zinc/29/59/40/377295940.db2.gz QLZRUOSQGBZPRY-INIZCTEOSA-N 2 0 290.455 2.583 20 0 CFADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccccc1Cl ZINC000128485627 377341516 /nfs/dbraw/zinc/34/15/16/377341516.db2.gz INCUYUCTZLHQEE-CYBMUJFWSA-N 2 0 297.830 2.584 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000129500974 377436633 /nfs/dbraw/zinc/43/66/33/377436633.db2.gz BQDLDQLNPOSTQA-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnc1 ZINC000129563844 377445369 /nfs/dbraw/zinc/44/53/69/377445369.db2.gz KFUDWEJAXDNMDK-MNOVXSKESA-N 2 0 261.291 2.718 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(OC)cc2)[C@H](C)C1 ZINC000130216401 377523613 /nfs/dbraw/zinc/52/36/13/377523613.db2.gz RXRFNACBUBPASL-CRAIPNDOSA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000349720837 284640753 /nfs/dbraw/zinc/64/07/53/284640753.db2.gz KKBIWLAARGQQJO-GFCCVEGCSA-N 2 0 299.484 2.769 20 0 CFADRP C[C@H](CCCCO)[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679343233 542173251 /nfs/dbraw/zinc/17/32/51/542173251.db2.gz XUAZNSTWPSUDIK-OWCLPIDISA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000131722878 377752375 /nfs/dbraw/zinc/75/23/75/377752375.db2.gz RAMYGBAHPNFOFJ-HUUCEWRRSA-N 2 0 284.403 2.888 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000132252467 377818245 /nfs/dbraw/zinc/81/82/45/377818245.db2.gz CEZYFRDAPQOHFZ-GFCCVEGCSA-N 2 0 272.314 2.795 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000132305123 377824618 /nfs/dbraw/zinc/82/46/18/377824618.db2.gz UQGSQVFLTCLFGW-UAGQMJEPSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132953112 377890058 /nfs/dbraw/zinc/89/00/58/377890058.db2.gz YPVJXADQSDDQMX-HOTGVXAUSA-N 2 0 276.424 2.694 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000133173414 377911720 /nfs/dbraw/zinc/91/17/20/377911720.db2.gz FPJWWECDSVIYEF-MRXNPFEDSA-N 2 0 296.455 2.670 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000134025615 377976608 /nfs/dbraw/zinc/97/66/08/377976608.db2.gz MRFYHMGWVUAZIN-CQSZACIVSA-N 2 0 256.459 2.736 20 0 CFADRP CC1CC[NH+](CC(=O)Nc2cccc(-n3ccnc3)c2)CC1 ZINC000134305596 378000697 /nfs/dbraw/zinc/00/06/97/378000697.db2.gz AGQJOHYAZWIQJZ-UHFFFAOYSA-N 2 0 298.390 2.543 20 0 CFADRP CSCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134917024 378063642 /nfs/dbraw/zinc/06/36/42/378063642.db2.gz GXVYEWUDEVBUPE-HIFRSBDPSA-N 2 0 268.470 2.688 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000135611230 378149691 /nfs/dbraw/zinc/14/96/91/378149691.db2.gz PNDDXOVDEDUMPA-IRXDYDNUSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCOc1ccccc1 ZINC000571772562 383725706 /nfs/dbraw/zinc/72/57/06/383725706.db2.gz DBBIKKWYUQBGBP-HUUCEWRRSA-N 2 0 262.397 2.657 20 0 CFADRP COC[C@H](C)[NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600552 378204434 /nfs/dbraw/zinc/20/44/34/378204434.db2.gz WGIJPDYIYIQBQQ-ZOBUZTSGSA-N 2 0 276.424 2.522 20 0 CFADRP c1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150807774 378272841 /nfs/dbraw/zinc/27/28/41/378272841.db2.gz GHDPEEUXNVOAJT-QGZVFWFLSA-N 2 0 288.435 2.873 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000150986275 378284591 /nfs/dbraw/zinc/28/45/91/378284591.db2.gz MRDSQHRFMFYLJB-HNNXBMFYSA-N 2 0 289.423 2.614 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCn1ccnc1)CC2 ZINC000149243070 378262462 /nfs/dbraw/zinc/26/24/62/378262462.db2.gz MXOZTWRWFMJPEL-MRXNPFEDSA-N 2 0 255.365 2.859 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000151134397 378298622 /nfs/dbraw/zinc/29/86/22/378298622.db2.gz DKNRUKROTFICOR-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](COC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000152859018 378453317 /nfs/dbraw/zinc/45/33/17/378453317.db2.gz VBLRQAYICTXCQM-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153960624 378526415 /nfs/dbraw/zinc/52/64/15/378526415.db2.gz RPKFJMHSHJHBHA-CALCHBBNSA-N 2 0 281.488 2.523 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154400036 378563239 /nfs/dbraw/zinc/56/32/39/378563239.db2.gz VVGRBUGFEDQVQO-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000154465597 378569645 /nfs/dbraw/zinc/56/96/45/378569645.db2.gz SSVMPLOSEVBSGE-INIZCTEOSA-N 2 0 268.445 2.534 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C)s1 ZINC000154518052 378574506 /nfs/dbraw/zinc/57/45/06/378574506.db2.gz KHWAGAGBLUOYAH-CMPLNLGQSA-N 2 0 267.442 2.759 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCO3)C2)CC1 ZINC000154731496 378591074 /nfs/dbraw/zinc/59/10/74/378591074.db2.gz PUTFRVGKVNYXRC-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154947503 378605528 /nfs/dbraw/zinc/60/55/28/378605528.db2.gz MRRSSHCFEHRXPV-IRXDYDNUSA-N 2 0 289.467 2.590 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000157615193 378655350 /nfs/dbraw/zinc/65/53/50/378655350.db2.gz TZONZRDDMABXQX-BHYGNILZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000157853447 378658923 /nfs/dbraw/zinc/65/89/23/378658923.db2.gz KOLKHWUEHYWMRM-BRWVUGGUSA-N 3 0 281.488 2.713 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000157984841 378662333 /nfs/dbraw/zinc/66/23/33/378662333.db2.gz QCBXDYOQEUQZNJ-YIYPIFLZSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1nc2c(c(NC[C@H]3CC[N@@H+](C4CC4)C3)n1)CCCC2 ZINC000679837080 542240430 /nfs/dbraw/zinc/24/04/30/542240430.db2.gz UBQGTVDFAIRSTL-CYBMUJFWSA-N 2 0 286.423 2.560 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000331419505 378686488 /nfs/dbraw/zinc/68/64/88/378686488.db2.gz WSBTWKHWNUCFAN-IJLUTSLNSA-N 2 0 279.453 2.800 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccn1)c1ccccn1 ZINC000159326199 378702655 /nfs/dbraw/zinc/70/26/55/378702655.db2.gz DRXRKKWSGJXFDI-ZDUSSCGKSA-N 2 0 256.353 2.629 20 0 CFADRP COCc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278522441 194026135 /nfs/dbraw/zinc/02/61/35/194026135.db2.gz SIJCYZIJUHYJIQ-UHFFFAOYSA-N 2 0 288.435 2.797 20 0 CFADRP FC1(F)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000334185810 378902779 /nfs/dbraw/zinc/90/27/79/378902779.db2.gz CEQFDIDBGXRMOG-QWHCGFSZSA-N 2 0 258.356 2.781 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000334212515 378932785 /nfs/dbraw/zinc/93/27/85/378932785.db2.gz RPEKNCVHZXCCDT-LBPRGKRZSA-N 2 0 252.789 2.737 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000162883423 378940756 /nfs/dbraw/zinc/94/07/56/378940756.db2.gz NMFWVGAGRXLJOC-IRXDYDNUSA-N 2 0 288.435 2.969 20 0 CFADRP CO[C@@H](C)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000679851002 542244437 /nfs/dbraw/zinc/24/44/37/542244437.db2.gz OKKCCKOGYGHLOE-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163458686 378974957 /nfs/dbraw/zinc/97/49/57/378974957.db2.gz RTCHRSAWVDPBMA-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000335265946 378990350 /nfs/dbraw/zinc/99/03/50/378990350.db2.gz YDCFRWFMHODCEZ-BBRMVZONSA-N 2 0 284.407 2.554 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]CCCNc1ccccn1 ZINC000163828222 378991910 /nfs/dbraw/zinc/99/19/10/378991910.db2.gz INXWYGXFVQUKFU-QGZVFWFLSA-N 2 0 299.418 2.731 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000335269939 378998235 /nfs/dbraw/zinc/99/82/35/378998235.db2.gz LFYIRUULIRONEK-MCIGGMRASA-N 2 0 264.335 2.839 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@H](C)C1 ZINC000164062274 379003913 /nfs/dbraw/zinc/00/39/13/379003913.db2.gz XBVBDPLWRBKJBI-WBVHZDCISA-N 2 0 276.424 2.775 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(C(N)=O)c1)CC[NH2+]CC2 ZINC000335279565 379017253 /nfs/dbraw/zinc/01/72/53/379017253.db2.gz TVWHZSZIUMHTHH-CYBMUJFWSA-N 2 0 287.407 2.534 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)cc1F ZINC000335279294 379017634 /nfs/dbraw/zinc/01/76/34/379017634.db2.gz PEHCVEYWNQEHLZ-NWSOVMFYSA-N 2 0 266.335 2.570 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000335279495 379017917 /nfs/dbraw/zinc/01/79/17/379017917.db2.gz PMHHXYHSOVENGC-LLVKDONJSA-N 2 0 279.453 2.724 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Br ZINC000335281215 379021197 /nfs/dbraw/zinc/02/11/97/379021197.db2.gz ZPUQALHIGVWLFA-UHFFFAOYSA-N 2 0 283.213 2.599 20 0 CFADRP Cc1cccc2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cn21 ZINC000335282914 379024042 /nfs/dbraw/zinc/02/40/42/379024042.db2.gz YIUUVRMCNPNVSS-OAHLLOKOSA-N 2 0 298.434 2.607 20 0 CFADRP C[NH2+][C@H]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C1 ZINC000335287368 379029309 /nfs/dbraw/zinc/02/93/09/379029309.db2.gz DLZIUMNMSHZUAP-ZDUSSCGKSA-N 2 0 255.365 2.650 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1F ZINC000165925643 379044099 /nfs/dbraw/zinc/04/40/99/379044099.db2.gz MWWOISORMKVPAW-UONOGXRCSA-N 2 0 282.403 2.833 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000335300745 379044783 /nfs/dbraw/zinc/04/47/83/379044783.db2.gz LIVKCEJAVFCEJC-KRWDZBQOSA-N 2 0 273.424 2.662 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC000334348409 379135111 /nfs/dbraw/zinc/13/51/11/379135111.db2.gz SPUNTAWVXWWJMK-MRXNPFEDSA-N 2 0 274.383 2.889 20 0 CFADRP CCc1cnc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000334380945 379196357 /nfs/dbraw/zinc/19/63/57/379196357.db2.gz DXGJWWXIXGNANE-HNNXBMFYSA-N 2 0 279.453 2.623 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cncnc2)c1 ZINC000171132332 379240082 /nfs/dbraw/zinc/24/00/82/379240082.db2.gz IWDIMQLEYAPOEU-UHFFFAOYSA-N 2 0 284.407 2.607 20 0 CFADRP C=Cn1cc(C[NH2+]CCCCCCC[NH+](C)C)cn1 ZINC000278919559 194213010 /nfs/dbraw/zinc/21/30/10/194213010.db2.gz UQFZSMVCQGRUCH-UHFFFAOYSA-N 2 0 264.417 2.585 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489681 379390790 /nfs/dbraw/zinc/39/07/90/379390790.db2.gz XGGANBVSXMNTPB-INIZCTEOSA-N 2 0 256.393 2.892 20 0 CFADRP CC1(c2ccccc2)CC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000335498467 379405845 /nfs/dbraw/zinc/40/58/45/379405845.db2.gz NKZWGGFGWJQSJD-BOAJJUGWSA-N 2 0 270.420 2.979 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2c1 ZINC000335544624 379486913 /nfs/dbraw/zinc/48/69/13/379486913.db2.gz UXPVSSLQIQPYRW-HNNXBMFYSA-N 2 0 298.434 2.607 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000172291098 379534858 /nfs/dbraw/zinc/53/48/58/379534858.db2.gz OWXDJXIMGYZGMB-HNNXBMFYSA-N 2 0 258.409 2.559 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCC2 ZINC000335565097 379519716 /nfs/dbraw/zinc/51/97/16/379519716.db2.gz NLXHEFSEVNRVAI-XIVSLSHWSA-N 2 0 265.426 2.688 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000335634388 379634911 /nfs/dbraw/zinc/63/49/11/379634911.db2.gz NUBRUIVFWYXEMS-GJZGRUSLSA-N 2 0 262.372 2.647 20 0 CFADRP Cc1cc(F)c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000335638680 379642738 /nfs/dbraw/zinc/64/27/38/379642738.db2.gz IVOJYYZRDYYOHJ-GHMZBOCLSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H]1CC([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@H](C)C1 ZINC000335643585 379651600 /nfs/dbraw/zinc/65/16/00/379651600.db2.gz QIJMNFHFCZTLJJ-RSIVFMTNSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1cc(Cl)cc(C)c1CN1CCCO[C@@H](C[NH3+])C1 ZINC000335639862 379645620 /nfs/dbraw/zinc/64/56/20/379645620.db2.gz MMKTYIWBVPLERB-AWEZNQCLSA-N 2 0 282.815 2.506 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335665529 379683350 /nfs/dbraw/zinc/68/33/50/379683350.db2.gz KVBDWIDAJPOINM-DLBZAZTESA-N 2 0 292.467 2.896 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000172828162 379653914 /nfs/dbraw/zinc/65/39/14/379653914.db2.gz FLLBQCKGTHHITI-UHFFFAOYSA-N 2 0 281.469 2.924 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000173899539 379795214 /nfs/dbraw/zinc/79/52/14/379795214.db2.gz RLJSYDIJUNWJAX-OAHLLOKOSA-N 2 0 294.414 2.868 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000335758126 379841041 /nfs/dbraw/zinc/84/10/41/379841041.db2.gz XTZBRUPYHKGEHL-HZPDHXFCSA-N 2 0 258.409 2.784 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(-c2ccncc2)c1 ZINC000335772488 379864298 /nfs/dbraw/zinc/86/42/98/379864298.db2.gz BFPSKQGIHLKTQS-RBUKOAKNSA-N 2 0 293.414 2.932 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717880 379930539 /nfs/dbraw/zinc/93/05/39/379930539.db2.gz OFPCKVLXNVUQMK-SFHVURJKSA-N 2 0 289.467 2.707 20 0 CFADRP Fc1cnccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000334762486 379902944 /nfs/dbraw/zinc/90/29/44/379902944.db2.gz VLBWZIOTKTYMKF-HNNXBMFYSA-N 2 0 277.387 2.671 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000335007786 379954732 /nfs/dbraw/zinc/95/47/32/379954732.db2.gz JQCBAZIKONMVGV-CABCVRRESA-N 2 0 264.800 2.998 20 0 CFADRP CC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335032536 379959454 /nfs/dbraw/zinc/95/94/54/379959454.db2.gz MHBLDLHYAQIXQR-WMLDXEAASA-N 2 0 272.392 2.632 20 0 CFADRP Cc1ncccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335871745 380029071 /nfs/dbraw/zinc/02/90/71/380029071.db2.gz NVUKBRFWVSWDII-KRWDZBQOSA-N 2 0 273.424 2.554 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335242621 380069159 /nfs/dbraw/zinc/06/91/59/380069159.db2.gz TTXKRQMBKCSZBB-ZFWWWQNUSA-N 2 0 260.381 2.632 20 0 CFADRP COc1ccc2oc(CN3CC[C@@H]([NH3+])[C@H](C)C3)cc2c1 ZINC000335227233 380040346 /nfs/dbraw/zinc/04/03/46/380040346.db2.gz AQLSOHBFGCUJGB-IAQYHMDHSA-N 2 0 274.364 2.611 20 0 CFADRP CCc1cnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000335991176 380205777 /nfs/dbraw/zinc/20/57/77/380205777.db2.gz XEIZLIODCGKVND-GXTWGEPZSA-N 2 0 279.453 2.622 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(-c2ccncc2)c1 ZINC000336022389 380251019 /nfs/dbraw/zinc/25/10/19/380251019.db2.gz QBLOZQFFWDLOPT-RBUKOAKNSA-N 2 0 293.414 2.790 20 0 CFADRP Cc1cnccc1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000645777147 383743794 /nfs/dbraw/zinc/74/37/94/383743794.db2.gz QLPKSAMJWCAPJL-UHFFFAOYSA-N 2 0 287.451 2.740 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nc1 ZINC000335997046 380214270 /nfs/dbraw/zinc/21/42/70/380214270.db2.gz HMIVWZSCCXDIRS-MRXNPFEDSA-N 2 0 273.424 2.554 20 0 CFADRP CCN(CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)CC(C)C ZINC000422831714 284822999 /nfs/dbraw/zinc/82/29/99/284822999.db2.gz UACJJPBNNIARRQ-JCYILVPMSA-N 2 0 283.504 2.850 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCc3ccc(C)cc32)CC[NH2+]CC1 ZINC000423399620 284824173 /nfs/dbraw/zinc/82/41/73/284824173.db2.gz FATYHNDQFKBKCK-QGZVFWFLSA-N 2 0 288.435 2.588 20 0 CFADRP CC[NH+](CC)CCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000177505970 380349189 /nfs/dbraw/zinc/34/91/89/380349189.db2.gz OTDOUZXVWJBGAI-INIZCTEOSA-N 2 0 269.477 2.525 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000178242345 380426163 /nfs/dbraw/zinc/42/61/63/380426163.db2.gz ZBBFEOPXBWSNEP-QGZVFWFLSA-N 2 0 281.488 2.569 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000178395827 380447004 /nfs/dbraw/zinc/44/70/04/380447004.db2.gz FGUZFEUAIUEHKX-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCCC1 ZINC000179097525 380508446 /nfs/dbraw/zinc/50/84/46/380508446.db2.gz HIIGUVFQYBFYCT-ZACQAIPSSA-N 2 0 292.467 2.800 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000178750733 380482670 /nfs/dbraw/zinc/48/26/70/380482670.db2.gz RZYJRXYHORLHEO-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC(N(C)Cc2cnn(C(C)C)c2)CC1 ZINC000179412318 380541791 /nfs/dbraw/zinc/54/17/91/380541791.db2.gz NSWZSFFUOCNSFT-UHFFFAOYSA-N 2 0 278.444 2.770 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000179584122 380560580 /nfs/dbraw/zinc/56/05/80/380560580.db2.gz KPXOZHOOQNWDEK-GJZGRUSLSA-N 2 0 280.456 2.750 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2nccn21 ZINC000179604942 380563112 /nfs/dbraw/zinc/56/31/12/380563112.db2.gz PRHISHYCDXQSMN-UHFFFAOYSA-N 2 0 295.342 2.695 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000336626008 380569363 /nfs/dbraw/zinc/56/93/63/380569363.db2.gz HXMNTUWVXCWFEA-OAHLLOKOSA-N 2 0 266.429 2.551 20 0 CFADRP CCC(CC)(C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000336790167 380638238 /nfs/dbraw/zinc/63/82/38/380638238.db2.gz KVIUISHBKMLKMB-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000336658903 380586751 /nfs/dbraw/zinc/58/67/51/380586751.db2.gz VJQGCCDBRWEFJZ-HNNXBMFYSA-N 2 0 284.403 2.950 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(C)C)C[C@H]1C ZINC000336701802 380599414 /nfs/dbraw/zinc/59/94/14/380599414.db2.gz GEOVPNNVOKJMET-HUUCEWRRSA-N 2 0 256.434 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000336706753 380601085 /nfs/dbraw/zinc/60/10/85/380601085.db2.gz JDHRSFZXLDUMIO-MRXNPFEDSA-N 2 0 289.467 2.758 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000336711915 380603775 /nfs/dbraw/zinc/60/37/75/380603775.db2.gz PZHVYEASRWGGHZ-MELADBBJSA-N 2 0 258.475 2.838 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000336810337 380670142 /nfs/dbraw/zinc/67/01/42/380670142.db2.gz ZPEJVIOMAODBBF-MRXNPFEDSA-N 2 0 268.445 2.644 20 0 CFADRP Cc1nc(C)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000336820892 380687022 /nfs/dbraw/zinc/68/70/22/380687022.db2.gz FUFCNYJENHDWDJ-OAHLLOKOSA-N 2 0 293.480 2.924 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCOC(C)C)CC1 ZINC000336800564 380653205 /nfs/dbraw/zinc/65/32/05/380653205.db2.gz MSXZDOQVPNQIKF-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc(C)sc2C)[C@@H](C)C1 ZINC000336802257 380654344 /nfs/dbraw/zinc/65/43/44/380654344.db2.gz SZMVPOTYIKLTCV-NHYWBVRUSA-N 2 0 281.469 2.922 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc(C)sc2C)[C@H](C)C1 ZINC000336802255 380655081 /nfs/dbraw/zinc/65/50/81/380655081.db2.gz SZMVPOTYIKLTCV-ABAIWWIYSA-N 2 0 281.469 2.922 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000572028778 383748862 /nfs/dbraw/zinc/74/88/62/383748862.db2.gz FXKMLOMRPNXGIX-NBOOPKSLSA-N 2 0 290.451 2.646 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181238541 380762221 /nfs/dbraw/zinc/76/22/21/380762221.db2.gz RYCPRSPIXRULCE-FXUDXRNXSA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000181123416 380744432 /nfs/dbraw/zinc/74/44/32/380744432.db2.gz BXIRJJZAGYPVTO-KRWDZBQOSA-N 2 0 289.467 2.535 20 0 CFADRP COc1ccc(F)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000295372422 380814862 /nfs/dbraw/zinc/81/48/62/380814862.db2.gz OLYVLKVSQULTCR-TZMCWYRMSA-N 2 0 280.387 2.749 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346997487 380863696 /nfs/dbraw/zinc/86/36/96/380863696.db2.gz WSYRFWRJOMBPGD-CRAIPNDOSA-N 2 0 287.451 2.889 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccs1 ZINC000400941762 380866900 /nfs/dbraw/zinc/86/69/00/380866900.db2.gz DAKJKRKLFJQQKN-UMSGYPCISA-N 2 0 250.411 2.787 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(CC)CC ZINC000181700318 380867156 /nfs/dbraw/zinc/86/71/56/380867156.db2.gz BFEBWZSSLMYSFK-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP c1cc2c(c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)NCC2 ZINC000347002311 380869201 /nfs/dbraw/zinc/86/92/01/380869201.db2.gz IWWPAKZDMHMKLO-MRXNPFEDSA-N 2 0 299.462 2.962 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C2(C)C)C1 ZINC000181557899 380827270 /nfs/dbraw/zinc/82/72/70/380827270.db2.gz YXWUJUUPZXPHKC-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000287423844 380829432 /nfs/dbraw/zinc/82/94/32/380829432.db2.gz KFNYOBRESSIMJI-LTCOOKNTSA-N 2 0 290.451 2.601 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287423841 380829617 /nfs/dbraw/zinc/82/96/17/380829617.db2.gz KFNYOBRESSIMJI-LBTBCDHLSA-N 2 0 290.451 2.601 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccsc2C)C1 ZINC000295411172 380836514 /nfs/dbraw/zinc/83/65/14/380836514.db2.gz ROURIFXXRHSCFC-ZDUSSCGKSA-N 2 0 252.427 2.830 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000346976827 380838073 /nfs/dbraw/zinc/83/80/73/380838073.db2.gz KFBSMLXYVNUNBV-NVXWUHKLSA-N 2 0 273.424 2.563 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346976828 380838375 /nfs/dbraw/zinc/83/83/75/380838375.db2.gz KFBSMLXYVNUNBV-RDJZCZTQSA-N 2 0 273.424 2.563 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346986030 380849814 /nfs/dbraw/zinc/84/98/14/380849814.db2.gz RMPFYJYZGIROFT-INMHGKMJSA-N 2 0 258.409 2.864 20 0 CFADRP Cc1scc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000399984665 380850174 /nfs/dbraw/zinc/85/01/74/380850174.db2.gz JCUWCBAQGPJDBR-CYBMUJFWSA-N 2 0 252.427 2.796 20 0 CFADRP c1ccc2c(c1)C[C@H]2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000367892321 380850779 /nfs/dbraw/zinc/85/07/79/380850779.db2.gz PQQVVVSPASKZDI-INIZCTEOSA-N 2 0 270.420 2.887 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000367903176 380852739 /nfs/dbraw/zinc/85/27/39/380852739.db2.gz MRXBYYWBNRUYLH-YJBOKZPZSA-N 2 0 292.467 2.966 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000400434770 380859988 /nfs/dbraw/zinc/85/99/88/380859988.db2.gz KXXHITMWAUXMEV-BFYDXBDKSA-N 2 0 276.424 2.569 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400439500 380860059 /nfs/dbraw/zinc/86/00/59/380860059.db2.gz MASDZTRFFAQDPA-GDBMZVCRSA-N 2 0 271.408 2.762 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2cccc(C)n2)CC1 ZINC000287540035 380860873 /nfs/dbraw/zinc/86/08/73/380860873.db2.gz PGSBQSZTUKTJQG-UHFFFAOYSA-N 2 0 275.440 2.787 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347088601 380929520 /nfs/dbraw/zinc/92/95/20/380929520.db2.gz DCGMISFAHSCZCC-AWEZNQCLSA-N 2 0 298.434 2.740 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000181740432 380881874 /nfs/dbraw/zinc/88/18/74/380881874.db2.gz UPMPZKGYYLQYJB-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000368009637 380884431 /nfs/dbraw/zinc/88/44/31/380884431.db2.gz XOAOYULJMGSBBH-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000402549346 380888087 /nfs/dbraw/zinc/88/80/87/380888087.db2.gz JKCDFJHXPZYYJJ-OUAUKWLOSA-N 2 0 252.324 2.695 20 0 CFADRP CCCCc1noc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358506984 380892208 /nfs/dbraw/zinc/89/22/08/380892208.db2.gz MJPBDIUDYMOZOE-CYBMUJFWSA-N 2 0 292.427 2.549 20 0 CFADRP c1ccc(SCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358514977 380899527 /nfs/dbraw/zinc/89/95/27/380899527.db2.gz YKBGEVAUCOFTLO-UHFFFAOYSA-N 2 0 276.449 2.854 20 0 CFADRP CCC(CC)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368051494 380903427 /nfs/dbraw/zinc/90/34/27/380903427.db2.gz NBPOPNUOPPXBLI-OAHLLOKOSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000404636612 380905063 /nfs/dbraw/zinc/90/50/63/380905063.db2.gz ZZXOSBMQMRFJBY-NVXWUHKLSA-N 2 0 267.376 2.667 20 0 CFADRP Cc1cnc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1C ZINC000341291588 380907468 /nfs/dbraw/zinc/90/74/68/380907468.db2.gz VIXXFRYXKHCGJG-UHFFFAOYSA-N 2 0 292.471 2.576 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347065335 380917812 /nfs/dbraw/zinc/91/78/12/380917812.db2.gz KKNAKJVDRQYXMS-TZMCWYRMSA-N 2 0 298.377 2.890 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347065333 380919288 /nfs/dbraw/zinc/91/92/88/380919288.db2.gz KKNAKJVDRQYXMS-JSGCOSHPSA-N 2 0 298.377 2.890 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2-c2cccnc2)C[N@@H+]1C1CC1 ZINC000368179673 380950158 /nfs/dbraw/zinc/95/01/58/380950158.db2.gz WWVFZDMSNQFQBG-UKRRQHHQSA-N 2 0 294.402 2.603 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cs1 ZINC000295577063 380952525 /nfs/dbraw/zinc/95/25/25/380952525.db2.gz DLDVRNLVGXHULP-CVEARBPZSA-N 2 0 294.464 2.524 20 0 CFADRP CSC1(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCC1 ZINC000368228330 380962273 /nfs/dbraw/zinc/96/22/73/380962273.db2.gz VQRBZSOUWTVTSI-RBSFLKMASA-N 2 0 280.481 2.688 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000182078618 380985593 /nfs/dbraw/zinc/98/55/93/380985593.db2.gz RSDDKKLVTJYABW-DOTOQJQBSA-N 2 0 260.425 2.749 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347160016 380975381 /nfs/dbraw/zinc/97/53/81/380975381.db2.gz GNJNEAMHWUCEAU-WBVHZDCISA-N 2 0 260.425 2.926 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2Oc3ccccc3[C@H]2C)[C@H](C)C1 ZINC000368280534 380980588 /nfs/dbraw/zinc/98/05/88/380980588.db2.gz IWDSUVPFJPSKKK-GZOSKZMVSA-N 2 0 288.435 2.871 20 0 CFADRP CCCCn1cc(CNC2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000341383764 380981565 /nfs/dbraw/zinc/98/15/65/380981565.db2.gz YBGUDMRFZFQHSB-UHFFFAOYSA-N 2 0 292.471 2.954 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000347173556 380984023 /nfs/dbraw/zinc/98/40/23/380984023.db2.gz PCGJQVSFYRWIIQ-UHFFFAOYSA-N 2 0 299.418 2.762 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000347110157 380944120 /nfs/dbraw/zinc/94/41/20/380944120.db2.gz PWMARVWVRFZTPB-LBPRGKRZSA-N 2 0 274.339 2.866 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000295703244 381026428 /nfs/dbraw/zinc/02/64/28/381026428.db2.gz MLXWJPHJUCUGMV-ABAIWWIYSA-N 2 0 282.428 2.728 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000182226709 381030010 /nfs/dbraw/zinc/03/00/10/381030010.db2.gz GUFIFTMNTDUNJN-KBXCAEBGSA-N 2 0 288.435 2.531 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(Cl)c1 ZINC000347183529 380989161 /nfs/dbraw/zinc/98/91/61/380989161.db2.gz XPXVCHSSLKJFGS-LLVKDONJSA-N 2 0 282.815 2.908 20 0 CFADRP O=C1CCC(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000336187933 296316090 /nfs/dbraw/zinc/31/60/90/296316090.db2.gz XFBKYPVHDIWJPK-MRXNPFEDSA-N 2 0 278.440 2.696 20 0 CFADRP C[NH2+]C[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000347199331 380999009 /nfs/dbraw/zinc/99/90/09/380999009.db2.gz IZPYDACZAFULRZ-CYBMUJFWSA-N 2 0 287.432 2.851 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000182271087 381046816 /nfs/dbraw/zinc/04/68/16/381046816.db2.gz GPKKFNCADPCMJH-KDOFPFPSSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000347285850 381047115 /nfs/dbraw/zinc/04/71/15/381047115.db2.gz DSNAJDBQLWBJNU-QWHCGFSZSA-N 2 0 252.377 2.859 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000358743266 381050686 /nfs/dbraw/zinc/05/06/86/381050686.db2.gz CANJSAKFKFAFKJ-ZBFHGGJFSA-N 2 0 292.471 2.754 20 0 CFADRP Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc(C2CC2)n1 ZINC000341499223 381051528 /nfs/dbraw/zinc/05/15/28/381051528.db2.gz LAFYMURITXGHMR-OCCSQVGLSA-N 2 0 288.439 2.617 20 0 CFADRP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358721592 381034007 /nfs/dbraw/zinc/03/40/07/381034007.db2.gz XHZLVURYUUWRPF-XJKSGUPXSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182243669 381036265 /nfs/dbraw/zinc/03/62/65/381036265.db2.gz WDLODSPYIMPVLZ-CRAIPNDOSA-N 2 0 290.451 2.777 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](C4CCC4)C3)cc2)cn1 ZINC000411874309 381042348 /nfs/dbraw/zinc/04/23/48/381042348.db2.gz MBWNFAKCVMJAHN-GOSISDBHSA-N 2 0 297.402 2.873 20 0 CFADRP CCc1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)o1 ZINC000354101482 381081674 /nfs/dbraw/zinc/08/16/74/381081674.db2.gz UPTSMNJGGXYAEN-INIZCTEOSA-N 2 0 294.439 2.775 20 0 CFADRP Cc1ccc(CCC[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000354125382 381093890 /nfs/dbraw/zinc/09/38/90/381093890.db2.gz RGUPTBULGQYHEN-OAHLLOKOSA-N 2 0 275.440 2.644 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000412037508 381115314 /nfs/dbraw/zinc/11/53/14/381115314.db2.gz HWJQQSHWCSWFCJ-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182682883 381137961 /nfs/dbraw/zinc/13/79/61/381137961.db2.gz RXPNEJYJLVYBBH-CQSZACIVSA-N 2 0 298.471 2.818 20 0 CFADRP CC1CCN(C(=[NH2+])NCC2([NH+](C)C)CCCCC2)CC1 ZINC000341629045 381138382 /nfs/dbraw/zinc/13/83/82/381138382.db2.gz JGYSIZCEWQYSJU-UHFFFAOYSA-N 2 0 280.460 2.507 20 0 CFADRP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCCCO1 ZINC000347456120 381163874 /nfs/dbraw/zinc/16/38/74/381163874.db2.gz CMHCTWHQWZQRSB-SJORKVTESA-N 2 0 280.456 2.753 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000295885965 381135759 /nfs/dbraw/zinc/13/57/59/381135759.db2.gz HWQAVSBGYLMYFF-AAEUAGOBSA-N 2 0 279.815 2.796 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000341684693 381170295 /nfs/dbraw/zinc/17/02/95/381170295.db2.gz QEDQCIDPQCPVCX-UHFFFAOYSA-N 2 0 267.442 2.540 20 0 CFADRP CN(CC[NH2+][C@H]1CCCc2nn(C)cc21)Cc1ccccc1 ZINC000358951444 381172310 /nfs/dbraw/zinc/17/23/10/381172310.db2.gz XVTLWWUQLWEDKY-KRWDZBQOSA-N 2 0 298.434 2.519 20 0 CFADRP C(CC1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000182964179 381190220 /nfs/dbraw/zinc/19/02/20/381190220.db2.gz DCUUSRNGEMXUON-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1c[nH]nc1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000289867724 381193694 /nfs/dbraw/zinc/19/36/94/381193694.db2.gz LOSYRZQDJZDFCP-UHFFFAOYSA-N 2 0 284.407 2.604 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000347531283 381204784 /nfs/dbraw/zinc/20/47/84/381204784.db2.gz VMDQYZAJZUPBMZ-ODIFPOPNSA-N 2 0 276.424 2.664 20 0 CFADRP CC[C@H]1CCC[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000183073647 381211600 /nfs/dbraw/zinc/21/16/00/381211600.db2.gz IREHFDNOGKBXBK-IRXDYDNUSA-N 2 0 296.499 2.981 20 0 CFADRP CC(C)N1CCc2nc(C[NH2+][C@@H]3CC[C@@H](F)C3)sc2C1 ZINC000342275184 381241492 /nfs/dbraw/zinc/24/14/92/381241492.db2.gz AKNUTUZFDVNPNP-VXGBXAGGSA-N 2 0 297.443 2.890 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000359244358 381306082 /nfs/dbraw/zinc/30/60/82/381306082.db2.gz NWXHAXWOEWKEBU-UHFFFAOYSA-N 2 0 289.423 2.563 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359210967 381289384 /nfs/dbraw/zinc/28/93/84/381289384.db2.gz FAGDKEZCDDOBEJ-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290091994 381296218 /nfs/dbraw/zinc/29/62/18/381296218.db2.gz HLXOCVGKINBGEO-RBSFLKMASA-N 2 0 294.439 2.701 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000296207672 381302864 /nfs/dbraw/zinc/30/28/64/381302864.db2.gz ZEHPNRSVZSOEJR-ZDUSSCGKSA-N 2 0 270.442 2.675 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369505216 381276573 /nfs/dbraw/zinc/27/65/73/381276573.db2.gz XOAMCHYRXQZISK-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP Cc1nccn1CCCC[NH2+]CCCc1cnccc1C ZINC000290198810 381339508 /nfs/dbraw/zinc/33/95/08/381339508.db2.gz CSUHMRJAFDGMFL-UHFFFAOYSA-N 3 0 286.423 2.898 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)[C@@H](C)c2cnn(C)c2)cn1 ZINC000354560754 381339875 /nfs/dbraw/zinc/33/98/75/381339875.db2.gz DBIXFGCDWAYVKY-AWEZNQCLSA-N 2 0 272.396 2.749 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000183702847 381309791 /nfs/dbraw/zinc/30/97/91/381309791.db2.gz PNTHJZBIHRBHJI-HUUCEWRRSA-N 2 0 298.471 2.817 20 0 CFADRP Cc1ncc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)n1-c1ccccc1 ZINC000369684040 381312586 /nfs/dbraw/zinc/31/25/86/381312586.db2.gz RMWBPMGSKPUUMP-MAUKXSAKSA-N 2 0 297.402 2.792 20 0 CFADRP CCN(Cc1cncn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183753696 381316027 /nfs/dbraw/zinc/31/60/27/381316027.db2.gz CVCSURBYYJCGHC-QGZVFWFLSA-N 2 0 298.434 2.517 20 0 CFADRP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369964501 381356149 /nfs/dbraw/zinc/35/61/49/381356149.db2.gz UJCHPJRQOUWTPK-ANWGSAMYSA-N 2 0 280.456 2.822 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(F)ccc2F)C1 ZINC000290291772 381372310 /nfs/dbraw/zinc/37/23/10/381372310.db2.gz ALKNVPIHFYAVGD-LRDDRELGSA-N 2 0 280.362 2.881 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000296467955 381408548 /nfs/dbraw/zinc/40/85/48/381408548.db2.gz NPFXYMODLORGBR-HLLBOEOZSA-N 2 0 275.440 2.641 20 0 CFADRP COc1ccccc1[C@H](CNc1cc[nH+]cc1C)[NH+](C)C ZINC000359379171 381384656 /nfs/dbraw/zinc/38/46/56/381384656.db2.gz NWHQUHHKTNXYEI-INIZCTEOSA-N 2 0 285.391 2.535 20 0 CFADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1cccs1 ZINC000370162459 381398085 /nfs/dbraw/zinc/39/80/85/381398085.db2.gz OUTBIDSAAATHOX-WCQYABFASA-N 2 0 294.468 2.653 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000370205254 381403028 /nfs/dbraw/zinc/40/30/28/381403028.db2.gz YRJVTBUJESIBHO-MSOLQXFVSA-N 2 0 272.436 2.954 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000296517787 381430477 /nfs/dbraw/zinc/43/04/77/381430477.db2.gz RWHIIWXKRQGMBJ-XJKSGUPXSA-N 2 0 287.432 2.773 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2c[nH]nc2c1 ZINC000290459829 381437148 /nfs/dbraw/zinc/43/71/48/381437148.db2.gz MZCBWIOOXREPHE-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342628223 381442696 /nfs/dbraw/zinc/44/26/96/381442696.db2.gz QUGDMJONTYMOLV-HZPDHXFCSA-N 2 0 276.424 2.774 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000359576765 381481375 /nfs/dbraw/zinc/48/13/75/381481375.db2.gz FUUQIDDFJTWJLA-NVXWUHKLSA-N 2 0 276.424 2.648 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccco2)C1 ZINC000370494460 381456635 /nfs/dbraw/zinc/45/66/35/381456635.db2.gz DWTORBRVAZGLGE-LSDHHAIUSA-N 2 0 262.397 2.943 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(C)c1O ZINC000290514867 381460371 /nfs/dbraw/zinc/46/03/71/381460371.db2.gz XFEGWHYTPQBBID-JKSUJKDBSA-N 2 0 276.424 2.971 20 0 CFADRP CC(C)(C)OCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000354818989 381469101 /nfs/dbraw/zinc/46/91/01/381469101.db2.gz NFLAFWXTWYOYNW-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000359617722 381511265 /nfs/dbraw/zinc/51/12/65/381511265.db2.gz ILHMUGLYRUDWOJ-KRWDZBQOSA-N 2 0 278.440 2.899 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348340748 381517603 /nfs/dbraw/zinc/51/76/03/381517603.db2.gz XMQNHZAPWYEWSK-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@H](C)[N@H+](C)CCNc1ccnc2ccncc21 ZINC000290672169 381519201 /nfs/dbraw/zinc/51/92/01/381519201.db2.gz RHTIQWISVLFWCW-LBPRGKRZSA-N 2 0 258.369 2.772 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000342700442 381488424 /nfs/dbraw/zinc/48/84/24/381488424.db2.gz QTYZARJWFHYFDO-HOTGVXAUSA-N 2 0 284.488 2.884 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)O ZINC000348306667 381496249 /nfs/dbraw/zinc/49/62/49/381496249.db2.gz ZJLBTBRUEXGMAL-LSDHHAIUSA-N 2 0 270.461 2.638 20 0 CFADRP CC[NH+](CC)CCCN1CCCC[C@@H]1c1ccnn1C ZINC000370708278 381496314 /nfs/dbraw/zinc/49/63/14/381496314.db2.gz HALNRJGPCMTIKY-MRXNPFEDSA-N 2 0 278.444 2.679 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000354878442 381501732 /nfs/dbraw/zinc/50/17/32/381501732.db2.gz GMYOMLQXLZVAMY-KRWDZBQOSA-N 2 0 282.472 2.732 20 0 CFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CC4)C[C@H]3C2)cc1 ZINC000348316379 381503054 /nfs/dbraw/zinc/50/30/54/381503054.db2.gz JPTNXRKBKOBUEE-HDICACEKSA-N 2 0 270.420 2.850 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1NCCC[NH+](C)C1CCCCC1 ZINC000359679821 381550975 /nfs/dbraw/zinc/55/09/75/381550975.db2.gz RMSPARHTBLLVKS-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)n1 ZINC000355042471 381579830 /nfs/dbraw/zinc/57/98/30/381579830.db2.gz SQCSRGBABRULIY-UHFFFAOYSA-N 2 0 289.423 2.541 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+]Cc1ccsc1Cl ZINC000359728179 381581827 /nfs/dbraw/zinc/58/18/27/381581827.db2.gz IHLSTZGTRDKIBD-GFCCVEGCSA-N 2 0 288.844 2.602 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000185190550 381558632 /nfs/dbraw/zinc/55/86/32/381558632.db2.gz TVUQVFXWKPMABL-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnoc2C)CC1 ZINC000185193243 381558785 /nfs/dbraw/zinc/55/87/85/381558785.db2.gz NJPRKHZKIHEMBT-UHFFFAOYSA-N 2 0 279.428 2.927 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ccc3c[nH]nc3c2)CC1 ZINC000342810201 381559196 /nfs/dbraw/zinc/55/91/96/381559196.db2.gz PFIJPKDQSZGAQE-UHFFFAOYSA-N 2 0 286.423 2.569 20 0 CFADRP C[C@@H]1CC[C@H]([N@H+](C)Cc2ncc(CN(C)C)s2)C1 ZINC000348416997 381560621 /nfs/dbraw/zinc/56/06/21/381560621.db2.gz XSSGZZBGTHLKEA-NEPJUHHUSA-N 2 0 267.442 2.825 20 0 CFADRP C[C@H]1CC[C@H]([N@H+](C)Cc2ncc(CN(C)C)s2)C1 ZINC000348417000 381561095 /nfs/dbraw/zinc/56/10/95/381561095.db2.gz XSSGZZBGTHLKEA-RYUDHWBXSA-N 2 0 267.442 2.825 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000185204236 381562994 /nfs/dbraw/zinc/56/29/94/381562994.db2.gz UWKNDLJEYLUTLH-OAGGEKHMSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC=C(C)C)CC1 ZINC000359699732 381565537 /nfs/dbraw/zinc/56/55/37/381565537.db2.gz JUBZOFQYKYOQNA-UHFFFAOYSA-N 2 0 287.451 2.884 20 0 CFADRP CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297630339 381567850 /nfs/dbraw/zinc/56/78/50/381567850.db2.gz LXNOAGAVEIIWPF-OAHLLOKOSA-N 2 0 299.418 2.518 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000414198176 381570803 /nfs/dbraw/zinc/57/08/03/381570803.db2.gz WFJHPVSFJZRIOE-NVXWUHKLSA-N 2 0 288.435 2.702 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCc1cccc(Cl)c1 ZINC000297773290 381572264 /nfs/dbraw/zinc/57/22/64/381572264.db2.gz VRYMKZBWAXVDMM-MRXNPFEDSA-N 2 0 298.858 2.829 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000414698718 381599464 /nfs/dbraw/zinc/59/94/64/381599464.db2.gz XUATYIIDJQCJHQ-SFHVURJKSA-N 2 0 295.515 2.948 20 0 CFADRP [NH3+]CCCN1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000414703096 381601020 /nfs/dbraw/zinc/60/10/20/381601020.db2.gz LPOHXWZJZVLUFA-NSHDSACASA-N 2 0 270.779 2.835 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C)C3(CCC3)C2)CC[NH2+]1 ZINC000414753819 381602964 /nfs/dbraw/zinc/60/29/64/381602964.db2.gz FFKTVPUIHJDVDT-RRFJBIMHSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414784171 381604267 /nfs/dbraw/zinc/60/42/67/381604267.db2.gz QVZVUVMUEFYMDC-OAGGEKHMSA-N 2 0 280.456 2.500 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](CC2CC2)CC2CCC2)CC[NH2+]1 ZINC000414764124 381605190 /nfs/dbraw/zinc/60/51/90/381605190.db2.gz NYJXERDHAWGMGS-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000185308524 381594173 /nfs/dbraw/zinc/59/41/73/381594173.db2.gz JVSUCOVSPDHFHS-MAZHCROVSA-N 2 0 296.842 2.620 20 0 CFADRP NC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000414930829 381620407 /nfs/dbraw/zinc/62/04/07/381620407.db2.gz BBTVTPUIPHPFIN-ABHNRTSZSA-N 2 0 283.419 2.699 20 0 CFADRP CSc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000298435304 381623585 /nfs/dbraw/zinc/62/35/85/381623585.db2.gz XNTMVMHLWAGIEP-UKRRQHHQSA-N 2 0 294.464 2.516 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCc2ccc(C)cc2)CCC[NH2+]1 ZINC000414934709 381625520 /nfs/dbraw/zinc/62/55/20/381625520.db2.gz AGZLURDZLUBEMN-SJLPKXTDSA-N 2 0 290.451 2.674 20 0 CFADRP CCSc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414936317 381627072 /nfs/dbraw/zinc/62/70/72/381627072.db2.gz GUWKFAAAVMVRFP-DOMZBBRYSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414945104 381637043 /nfs/dbraw/zinc/63/70/43/381637043.db2.gz HWCMYAWNJOWTCU-IOASZLSFSA-N 2 0 264.388 2.877 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414940461 381631467 /nfs/dbraw/zinc/63/14/67/381631467.db2.gz BNDULUSKFHWFSO-DZGCQCFKSA-N 2 0 262.397 2.704 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000414943645 381633308 /nfs/dbraw/zinc/63/33/08/381633308.db2.gz FQSKKMYBRPHSIW-DGCLKSJQSA-N 2 0 297.240 2.988 20 0 CFADRP CC(C)C[C@H]([NH3+])CN[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414943904 381633772 /nfs/dbraw/zinc/63/37/72/381633772.db2.gz ONNLBSLHOAILGZ-ROUUACIJSA-N 2 0 285.435 2.803 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000414947791 381638544 /nfs/dbraw/zinc/63/85/44/381638544.db2.gz WWXARRZFFSJCMH-DZGCQCFKSA-N 2 0 264.438 2.507 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000414948108 381638640 /nfs/dbraw/zinc/63/86/40/381638640.db2.gz XOPAIJOIJXQJIV-VCBZYWHSSA-N 2 0 297.446 2.817 20 0 CFADRP CC(C)(C)[NH2+]CCN[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414952618 381642734 /nfs/dbraw/zinc/64/27/34/381642734.db2.gz KRSGEQOWFXERPE-KRWDZBQOSA-N 2 0 285.435 2.817 20 0 CFADRP COC[C@]1(C[NH2+]CC[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414951046 381642769 /nfs/dbraw/zinc/64/27/69/381642769.db2.gz GHBVZNRQBMFTMK-NVXWUHKLSA-N 2 0 276.424 2.538 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCC2CCCC2)CC[NH2+]CC1 ZINC000414953153 381644199 /nfs/dbraw/zinc/64/41/99/381644199.db2.gz APDARCCQQZONIZ-OAHLLOKOSA-N 2 0 282.472 2.951 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414953224 381645527 /nfs/dbraw/zinc/64/55/27/381645527.db2.gz JIZBSKVDFGPPGQ-GMTAPVOTSA-N 2 0 252.324 2.695 20 0 CFADRP CC[C@H]([NH3+])C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414978989 381673677 /nfs/dbraw/zinc/67/36/77/381673677.db2.gz NAMGFNREFRUGIZ-GWCFXTLKSA-N 2 0 285.229 2.880 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414965247 381662460 /nfs/dbraw/zinc/66/24/60/381662460.db2.gz FELVROUPAGZVGG-KRWDZBQOSA-N 2 0 288.435 2.953 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414965967 381662475 /nfs/dbraw/zinc/66/24/75/381662475.db2.gz BGPJQAWUORXLKI-GJZGRUSLSA-N 2 0 270.461 2.807 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414965265 381662581 /nfs/dbraw/zinc/66/25/81/381662581.db2.gz FGNBFMURMCBENE-JZIMQPMSSA-N 2 0 280.362 2.956 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414965087 381662630 /nfs/dbraw/zinc/66/26/30/381662630.db2.gz MYLVESIHAUTQOK-BBWFWOEESA-N 2 0 258.409 2.912 20 0 CFADRP CCOc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1OC ZINC000414967203 381664479 /nfs/dbraw/zinc/66/44/79/381664479.db2.gz HAXNUWAJUSCQII-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414970639 381667540 /nfs/dbraw/zinc/66/75/40/381667540.db2.gz VOCYYYXTUDREIT-IXDOHACOSA-N 2 0 273.424 2.588 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414977326 381671350 /nfs/dbraw/zinc/67/13/50/381671350.db2.gz RGMKUMRDOHRVTL-AWEZNQCLSA-N 2 0 250.361 2.756 20 0 CFADRP COc1cc(C)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414977830 381673100 /nfs/dbraw/zinc/67/31/00/381673100.db2.gz RZNFSOBDNCCSTO-OAHLLOKOSA-N 2 0 292.423 2.634 20 0 CFADRP COCC1(C[NH2+]CCCC2CCCCC2)CC[NH2+]CC1 ZINC000414978001 381673305 /nfs/dbraw/zinc/67/33/05/381673305.db2.gz RXUZRBRVDMWLHT-UHFFFAOYSA-N 2 0 282.472 2.953 20 0 CFADRP CCOc1ccccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414978626 381673359 /nfs/dbraw/zinc/67/33/59/381673359.db2.gz TZSXJRZFVWHXED-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000414957571 381652508 /nfs/dbraw/zinc/65/25/08/381652508.db2.gz WBFCACQVILLUEQ-JQWIXIFHSA-N 2 0 288.313 2.815 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414959186 381654179 /nfs/dbraw/zinc/65/41/79/381654179.db2.gz PVGDANVBYNINLT-DJIMGWMZSA-N 2 0 260.425 2.985 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1 ZINC000415016187 381710534 /nfs/dbraw/zinc/71/05/34/381710534.db2.gz BTLIGLOOLWQQKR-GJZGRUSLSA-N 2 0 291.439 2.738 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1O ZINC000415018243 381711245 /nfs/dbraw/zinc/71/12/45/381711245.db2.gz UDRSTPNNERXGMN-KBPBESRZSA-N 2 0 294.439 2.829 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000415019428 381713029 /nfs/dbraw/zinc/71/30/29/381713029.db2.gz VWJBKCWENAWVTI-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715969 381713266 /nfs/dbraw/zinc/71/32/66/381713266.db2.gz GJEAYAZAFLJLGZ-HZPDHXFCSA-N 2 0 290.455 2.516 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1Br ZINC000415018883 381713636 /nfs/dbraw/zinc/71/36/36/381713636.db2.gz HGIFKFCTFZICLP-NSHDSACASA-N 2 0 285.229 2.975 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(F)cc2cccnc21 ZINC000415019868 381714759 /nfs/dbraw/zinc/71/47/59/381714759.db2.gz WTYOMOYRQAKMCL-GFCCVEGCSA-N 2 0 275.371 2.981 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1F ZINC000415021964 381715174 /nfs/dbraw/zinc/71/51/74/381715174.db2.gz ZBICGIDVIFBKJX-OLZOCXBDSA-N 2 0 252.377 2.864 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185605578 381679421 /nfs/dbraw/zinc/67/94/21/381679421.db2.gz BHVNWRJARUHWPY-UHFFFAOYSA-N 2 0 280.387 2.741 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414985389 381680029 /nfs/dbraw/zinc/68/00/29/381680029.db2.gz BHUKSZZGMQUMSV-YOEHRIQHSA-N 2 0 298.434 2.992 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414987897 381681745 /nfs/dbraw/zinc/68/17/45/381681745.db2.gz FDPSADXPPJGLEN-YPMHNXCESA-N 2 0 284.350 2.895 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415024126 381716457 /nfs/dbraw/zinc/71/64/57/381716457.db2.gz MVYXWOJFGAMBCI-JOCQHMNTSA-N 2 0 278.444 2.562 20 0 CFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355217506 381685235 /nfs/dbraw/zinc/68/52/35/381685235.db2.gz WZQIQQSLUVTRTI-FGTMMUONSA-N 2 0 288.435 2.679 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC1CCOCC1 ZINC000415022987 381716565 /nfs/dbraw/zinc/71/65/65/381716565.db2.gz JZQMWUWOKOENNT-DJIMGWMZSA-N 2 0 282.472 2.794 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(OC(F)F)c1 ZINC000415024322 381716617 /nfs/dbraw/zinc/71/66/17/381716617.db2.gz OSQSANWSXWGBAW-SNVBAGLBSA-N 2 0 288.338 2.514 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000414998429 381689388 /nfs/dbraw/zinc/68/93/88/381689388.db2.gz QPQVOENTULOMAE-HZMBPMFUSA-N 2 0 254.324 2.572 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414996401 381689719 /nfs/dbraw/zinc/68/97/19/381689719.db2.gz XRWNNVFESSYZQT-DGCLKSJQSA-N 2 0 286.366 2.936 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000348746558 381692714 /nfs/dbraw/zinc/69/27/14/381692714.db2.gz HNEGZALJDMHPTF-ZDUSSCGKSA-N 2 0 264.388 2.818 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415001801 381694756 /nfs/dbraw/zinc/69/47/56/381694756.db2.gz LPQGKXQZQNOPRY-INWMFGNUSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002779 381695083 /nfs/dbraw/zinc/69/50/83/381695083.db2.gz MLGZBCPVJIVHOW-JHJVBQTASA-N 2 0 293.480 2.875 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(c2ccccc2)CC1 ZINC000415022460 381717030 /nfs/dbraw/zinc/71/70/30/381717030.db2.gz ZPRUAKOHOBTBMB-OAHLLOKOSA-N 2 0 275.440 2.763 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC000415004984 381696112 /nfs/dbraw/zinc/69/61/12/381696112.db2.gz YOXOGLQVCHBYAW-QWRGUYRKSA-N 2 0 254.324 2.572 20 0 CFADRP CCCn1nc(C)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000415003835 381697199 /nfs/dbraw/zinc/69/71/99/381697199.db2.gz XPPJQZJLJJTXBN-LSDHHAIUSA-N 2 0 278.444 2.517 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415005575 381698525 /nfs/dbraw/zinc/69/85/25/381698525.db2.gz ZMFWLJHGUGTWRK-ZFWWWQNUSA-N 2 0 262.397 2.692 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415006117 381699220 /nfs/dbraw/zinc/69/92/20/381699220.db2.gz JZFYSOLUKHUQLL-LSDHHAIUSA-N 2 0 296.361 2.766 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415007831 381701272 /nfs/dbraw/zinc/70/12/72/381701272.db2.gz RRTYNEHKYNSESB-LZWOXQAQSA-N 2 0 276.424 2.733 20 0 CFADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cccnc2)cc1 ZINC000415009546 381702480 /nfs/dbraw/zinc/70/24/80/381702480.db2.gz UGPKLUHFKYXJCJ-AEFFLSMTSA-N 2 0 299.393 2.704 20 0 CFADRP CCCn1nc(C)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000415024133 381717323 /nfs/dbraw/zinc/71/73/23/381717323.db2.gz MWFWQOKWSJJJQM-WKILWMFISA-N 2 0 292.471 2.765 20 0 CFADRP C[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682073 381703741 /nfs/dbraw/zinc/70/37/41/381703741.db2.gz WNAUMDMGTKQLIU-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP CCCc1csc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415010022 381703921 /nfs/dbraw/zinc/70/39/21/381703921.db2.gz UQGKAXFKKOFZPF-RYUDHWBXSA-N 2 0 267.442 2.703 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415010602 381704103 /nfs/dbraw/zinc/70/41/03/381704103.db2.gz PKHCQZIGKXIYJM-JSYWMUGDSA-N 2 0 286.419 2.686 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000415040261 381728455 /nfs/dbraw/zinc/72/84/55/381728455.db2.gz OVDLBOYCYKJBGZ-NXEZZACHSA-N 2 0 256.752 2.696 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000415040674 381729311 /nfs/dbraw/zinc/72/93/11/381729311.db2.gz PCDYUAAEIVHREX-UKRRQHHQSA-N 2 0 292.423 2.701 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415042260 381730956 /nfs/dbraw/zinc/73/09/56/381730956.db2.gz QKVMHWADPIRLPK-DLBZAZTESA-N 2 0 276.424 2.538 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415042356 381731073 /nfs/dbraw/zinc/73/10/73/381731073.db2.gz QPOJNBMRGDVJRH-UKRRQHHQSA-N 2 0 262.397 2.692 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000415042799 381731276 /nfs/dbraw/zinc/73/12/76/381731276.db2.gz RFCPEMWBZBGTSO-RHSMWYFYSA-N 2 0 281.403 2.966 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000415044745 381732433 /nfs/dbraw/zinc/73/24/33/381732433.db2.gz BUTGLDXIYPYUSI-ZTFGCOKTSA-N 2 0 289.467 2.569 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044227 381732875 /nfs/dbraw/zinc/73/28/75/381732875.db2.gz ARFYGQPZUXHWQY-QPJJXVBHSA-N 2 0 299.462 2.506 20 0 CFADRP C(CC1CCCCC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415045870 381733110 /nfs/dbraw/zinc/73/31/10/381733110.db2.gz BXHVFQNPTNVIKC-UHFFFAOYSA-N 2 0 293.499 2.763 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415046839 381733355 /nfs/dbraw/zinc/73/33/55/381733355.db2.gz VJUUIJZMLMBSQI-NWDGAFQWSA-N 2 0 270.323 2.505 20 0 CFADRP CC(C)(C)c1nc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000415045931 381733500 /nfs/dbraw/zinc/73/35/00/381733500.db2.gz UQZNGIJHVIWRFA-QWRGUYRKSA-N 2 0 267.442 2.658 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000415049681 381736045 /nfs/dbraw/zinc/73/60/45/381736045.db2.gz XTRGGMTWMHZRDP-YYJSSNLHSA-N 2 0 264.335 2.825 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415051761 381736426 /nfs/dbraw/zinc/73/64/26/381736426.db2.gz ZRIXWSPNFYPUEG-BBRMVZONSA-N 2 0 284.407 2.602 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415055136 381740911 /nfs/dbraw/zinc/74/09/11/381740911.db2.gz MNGXWSOROMXCAS-MLGOLLRUSA-N 2 0 264.388 2.805 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)C(C)C ZINC000372061885 381745196 /nfs/dbraw/zinc/74/51/96/381745196.db2.gz ZRAYNDRBEYYFGJ-INIZCTEOSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)o1 ZINC000372065519 381746552 /nfs/dbraw/zinc/74/65/52/381746552.db2.gz QGLDJDNOWKSOSB-ARFHVFGLSA-N 2 0 292.423 2.740 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000372093444 381750429 /nfs/dbraw/zinc/75/04/29/381750429.db2.gz FFDZPYUGDOQLTQ-IRXDYDNUSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415068879 381753062 /nfs/dbraw/zinc/75/30/62/381753062.db2.gz NTISCLQCYBCDNN-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000415066669 381753455 /nfs/dbraw/zinc/75/34/55/381753455.db2.gz BCEMXKZLYIRTLH-WFASDCNBSA-N 2 0 250.361 2.661 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000343500475 381754351 /nfs/dbraw/zinc/75/43/51/381754351.db2.gz CUXVMGOMFAVPDE-YESZJQIVSA-N 2 0 281.488 2.571 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCC[NH2+]C1CC1)C2 ZINC000415068261 381754836 /nfs/dbraw/zinc/75/48/36/381754836.db2.gz MDLQISPYKLIMKT-OAHLLOKOSA-N 2 0 264.800 2.539 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415071656 381756747 /nfs/dbraw/zinc/75/67/47/381756747.db2.gz UAZBPJYCVHOIRN-UHFFFAOYSA-N 2 0 262.397 2.706 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415024552 381718240 /nfs/dbraw/zinc/71/82/40/381718240.db2.gz PAMHEKQQNSWSRF-ZDUSSCGKSA-N 2 0 272.396 2.602 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H](C)CCC[NH3+])ccc2n1 ZINC000415024827 381718319 /nfs/dbraw/zinc/71/83/19/381718319.db2.gz PQRCSTJWGXFYOZ-GFCCVEGCSA-N 2 0 257.381 2.760 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000415024727 381718322 /nfs/dbraw/zinc/71/83/22/381718322.db2.gz ODLBCULRNFTIHG-DARAHFNDSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000415026238 381718455 /nfs/dbraw/zinc/71/84/55/381718455.db2.gz SXWFZTCZJMTEHI-SNVBAGLBSA-N 2 0 250.317 2.789 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000415025814 381718508 /nfs/dbraw/zinc/71/85/08/381718508.db2.gz RTPVGFDHFBKAMK-OLZOCXBDSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C/C=C/c1ccc(F)cc1F ZINC000415027672 381719989 /nfs/dbraw/zinc/71/99/89/381719989.db2.gz XBSYHNBPOALTEH-JOAKQRRISA-N 2 0 254.324 2.695 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)CCC[NH3+])cc1F ZINC000415026621 381720156 /nfs/dbraw/zinc/72/01/56/381720156.db2.gz UZXPPBXQMUVUPM-CHWSQXEVSA-N 2 0 282.403 2.730 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2c1 ZINC000415027017 381720424 /nfs/dbraw/zinc/72/04/24/381720424.db2.gz APYCTACGUNFTLC-WCQYABFASA-N 2 0 274.364 2.658 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c1C ZINC000415028271 381721395 /nfs/dbraw/zinc/72/13/95/381721395.db2.gz YEWMQQWQLNCMJF-UONOGXRCSA-N 2 0 291.439 2.738 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cccc3c2CCCN3)CC1 ZINC000415033575 381722560 /nfs/dbraw/zinc/72/25/60/381722560.db2.gz KIGMZLJJIKANBX-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000415031124 381723069 /nfs/dbraw/zinc/72/30/69/381723069.db2.gz GMAGBIMZHKZSLF-DGCLKSJQSA-N 2 0 273.355 2.591 20 0 CFADRP COc1ccc2nc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)sc2c1 ZINC000415031542 381723088 /nfs/dbraw/zinc/72/30/88/381723088.db2.gz HAFFNALMZZCBCE-MNOVXSKESA-N 2 0 291.420 2.522 20 0 CFADRP CO[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1C ZINC000343459562 381725615 /nfs/dbraw/zinc/72/56/15/381725615.db2.gz DQCFDOCHJZBALW-WFASDCNBSA-N 2 0 291.420 2.791 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000415037958 381726791 /nfs/dbraw/zinc/72/67/91/381726791.db2.gz MXUAGYAYHXHYIH-SKDRFNHKSA-N 2 0 256.752 2.696 20 0 CFADRP CC(C)(O)CC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000372255413 381781286 /nfs/dbraw/zinc/78/12/86/381781286.db2.gz QJQNWLHINPKJQS-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000415106684 381784273 /nfs/dbraw/zinc/78/42/73/381784273.db2.gz NCZONJSSRQEVJJ-OAHLLOKOSA-N 2 0 258.409 2.758 20 0 CFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000348994565 381784300 /nfs/dbraw/zinc/78/43/00/381784300.db2.gz JUUJFWFLEHOIAK-AEFFLSMTSA-N 2 0 293.499 2.572 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1(CO)CCCC1 ZINC000415109377 381786904 /nfs/dbraw/zinc/78/69/04/381786904.db2.gz RCYDGNUDIPPKGW-PMPSAXMXSA-N 2 0 282.472 2.541 20 0 CFADRP C[C@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccc(F)cc1F ZINC000415116659 381789170 /nfs/dbraw/zinc/78/91/70/381789170.db2.gz UZACMTPOLNGGSY-ABAIWWIYSA-N 2 0 268.351 2.658 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cs1 ZINC000415118418 381790676 /nfs/dbraw/zinc/79/06/76/381790676.db2.gz WNHMAXMVCCRERZ-CHWSQXEVSA-N 2 0 281.469 2.929 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000415119858 381791053 /nfs/dbraw/zinc/79/10/53/381791053.db2.gz XYHGRGMZLZEZEI-GXTWGEPZSA-N 2 0 250.361 2.612 20 0 CFADRP CCOCc1ccccc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415119872 381791187 /nfs/dbraw/zinc/79/11/87/381791187.db2.gz XZRBSBVNCSWIJT-CABCVRRESA-N 2 0 276.424 2.701 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000415121983 381792744 /nfs/dbraw/zinc/79/27/44/381792744.db2.gz HXEFRYBYSJOCME-BLLLJJGKSA-N 2 0 276.424 2.729 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000415122749 381793090 /nfs/dbraw/zinc/79/30/90/381793090.db2.gz IPHRNJVAPKDGPR-CVEARBPZSA-N 2 0 276.424 2.762 20 0 CFADRP CO[C@@H](C)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000360837337 381794443 /nfs/dbraw/zinc/79/44/43/381794443.db2.gz PGNNNYMPRXOACW-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C[C@H]1C[NH3+] ZINC000415127843 381796298 /nfs/dbraw/zinc/79/62/98/381796298.db2.gz NIIFYWYTHVUJAO-WMLDXEAASA-N 2 0 288.435 2.892 20 0 CFADRP COc1cccc(CCC[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415075034 381760786 /nfs/dbraw/zinc/76/07/86/381760786.db2.gz DSAVMCJJWLZFCR-GOEBONIOSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415076038 381763167 /nfs/dbraw/zinc/76/31/67/381763167.db2.gz RGPPHLCMRXPTRI-UKRRQHHQSA-N 2 0 264.388 2.879 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000415078090 381763694 /nfs/dbraw/zinc/76/36/94/381763694.db2.gz IFYRKQOJSVRIRR-UHFFFAOYSA-N 2 0 268.788 2.708 20 0 CFADRP CC[C@@H](C[NH2+]CC1CC[NH2+]CC1)Oc1ccccc1C ZINC000415078423 381763843 /nfs/dbraw/zinc/76/38/43/381763843.db2.gz IOKIPFWGUKRLLU-INIZCTEOSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@]1(C[NH2+]CCOc2ccc3ccccc3c2)CC[NH2+]C1 ZINC000415079194 381765114 /nfs/dbraw/zinc/76/51/14/381765114.db2.gz HOWMVNLKNYIUQH-SFHVURJKSA-N 2 0 284.403 2.808 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2csc(-c3ccco3)n2)CC[NH2+]1 ZINC000415079534 381765217 /nfs/dbraw/zinc/76/52/17/381765217.db2.gz HXVHTLAKCVCJFC-RYUDHWBXSA-N 2 0 291.420 2.881 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000415079296 381765678 /nfs/dbraw/zinc/76/56/78/381765678.db2.gz WSBLOTVMXCRTNL-WOPDTQHZSA-N 2 0 264.335 2.839 20 0 CFADRP FC(F)(F)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372170240 381766897 /nfs/dbraw/zinc/76/68/97/381766897.db2.gz QHZULKYGTAXMRC-YPMHNXCESA-N 2 0 276.346 2.888 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000415081932 381767650 /nfs/dbraw/zinc/76/76/50/381767650.db2.gz LJMUJGJMZXEIJT-UHFFFAOYSA-N 3 0 295.515 2.852 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415082856 381768194 /nfs/dbraw/zinc/76/81/94/381768194.db2.gz OYTBPLKMFVTHDT-RYUDHWBXSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415084629 381769379 /nfs/dbraw/zinc/76/93/79/381769379.db2.gz HAYGPJNFUYMDAX-CZUORRHYSA-N 2 0 294.414 2.718 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CCCc2cccc(F)c2)CC[NH2+]1 ZINC000415084222 381769932 /nfs/dbraw/zinc/76/99/32/381769932.db2.gz GHDUSDNSGPLRLS-DZGCQCFKSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000415085139 381771249 /nfs/dbraw/zinc/77/12/49/381771249.db2.gz HYCYGETYDUPDFA-RYUDHWBXSA-N 2 0 284.806 2.999 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000415085028 381771314 /nfs/dbraw/zinc/77/13/14/381771314.db2.gz QAKMDGXJTKEZME-FXUDXRNXSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@]1(C[NH2+]CCc2ccc(F)cc2Cl)CC[NH2+]C1 ZINC000415085107 381772095 /nfs/dbraw/zinc/77/20/95/381772095.db2.gz HWSRPGZUHHDZER-CQSZACIVSA-N 2 0 270.779 2.611 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000415087242 381773267 /nfs/dbraw/zinc/77/32/67/381773267.db2.gz KSXMFRCSKWDCMF-UNXYVOJBSA-N 2 0 296.386 2.763 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(-n2cccn2)c1 ZINC000415087867 381773796 /nfs/dbraw/zinc/77/37/96/381773796.db2.gz VLKOUACYLSZPKG-IUDNXUCKSA-N 2 0 284.407 2.793 20 0 CFADRP COc1cc(CC[NH2+]C[C@@H]([NH3+])CC(C)C)ccc1C ZINC000415089444 381775948 /nfs/dbraw/zinc/77/59/48/381775948.db2.gz XTNYSGCJDCHODY-HNNXBMFYSA-N 2 0 264.413 2.509 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129959 381799851 /nfs/dbraw/zinc/79/98/51/381799851.db2.gz VUYIWPSDODJFSN-CVEARBPZSA-N 2 0 268.445 2.641 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000361372851 381823114 /nfs/dbraw/zinc/82/31/14/381823114.db2.gz ABDYQEVZDLUUIG-BRSBDYLESA-N 2 0 294.483 2.876 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000361386986 381823538 /nfs/dbraw/zinc/82/35/38/381823538.db2.gz RQGZGFFQOKVZQY-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000343593780 381824400 /nfs/dbraw/zinc/82/44/00/381824400.db2.gz GLHCGIOBMRXSMC-XWTMOSNGSA-N 2 0 295.515 2.674 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc4occc4c3)C2)C1 ZINC000292768630 381826704 /nfs/dbraw/zinc/82/67/04/381826704.db2.gz KDYIATYAHIDZDJ-QGZVFWFLSA-N 2 0 270.376 2.960 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CC1CC1)CC1CCC1 ZINC000361565471 381844951 /nfs/dbraw/zinc/84/49/51/381844951.db2.gz MMDKBOGPRQTRFQ-MRXNPFEDSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000361525554 381840754 /nfs/dbraw/zinc/84/07/54/381840754.db2.gz NTQRXAFKXUOIGG-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCc1ccncc1)CC2)C1CC1 ZINC000372843627 381879095 /nfs/dbraw/zinc/87/90/95/381879095.db2.gz XIIHQENQDVTYTN-KRWDZBQOSA-N 2 0 299.462 2.820 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000292820671 381850103 /nfs/dbraw/zinc/85/01/03/381850103.db2.gz PXSNGCVSMLSZAR-AWEZNQCLSA-N 2 0 250.411 2.584 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000361756517 381861750 /nfs/dbraw/zinc/86/17/50/381861750.db2.gz NKBNKWRKTODMKK-HRCADAONSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@H]1c1cnn(C)c1C ZINC000372810539 381873834 /nfs/dbraw/zinc/87/38/34/381873834.db2.gz SUKPFXYACCUHNP-INIZCTEOSA-N 2 0 278.444 2.597 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000356867984 381874404 /nfs/dbraw/zinc/87/44/04/381874404.db2.gz NBSXCLCEWBAXGH-ZDUSSCGKSA-N 2 0 261.413 2.636 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CCO2 ZINC000349342071 381897383 /nfs/dbraw/zinc/89/73/83/381897383.db2.gz CYWCSPWEYWOJOH-UHFFFAOYSA-N 2 0 288.435 2.929 20 0 CFADRP CCN(CCC[NH+](CC)CC)Cc1c(C)n[nH]c1C ZINC000349363541 381908926 /nfs/dbraw/zinc/90/89/26/381908926.db2.gz FHCBGLVCBBNZIO-UHFFFAOYSA-N 2 0 266.433 2.580 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000349385552 381920687 /nfs/dbraw/zinc/92/06/87/381920687.db2.gz XWLXOJHBQQNXFU-CONSUJBKSA-N 2 0 294.483 2.946 20 0 CFADRP CC(C)c1csc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000362129329 381921975 /nfs/dbraw/zinc/92/19/75/381921975.db2.gz LEVRLYKBFHLTRR-NWDGAFQWSA-N 2 0 267.442 2.696 20 0 CFADRP CC[N@H+](CCC1CC[NH+](Cc2cnc[nH]2)CC1)CC(C)C ZINC000349413037 381927904 /nfs/dbraw/zinc/92/79/04/381927904.db2.gz ZWKHZDDKQKPZLT-UHFFFAOYSA-N 2 0 292.471 2.990 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000299480542 381956088 /nfs/dbraw/zinc/95/60/88/381956088.db2.gz CSJSEWOKRFWGRM-INIZCTEOSA-N 2 0 289.423 2.561 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186598769 381960836 /nfs/dbraw/zinc/96/08/36/381960836.db2.gz QCBHMCOEOCCBBS-AOCRQIFASA-N 2 0 295.515 2.817 20 0 CFADRP Cc1nc(F)ccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000293041769 381962259 /nfs/dbraw/zinc/96/22/59/381962259.db2.gz QSQVSYDJIUBWMY-UHFFFAOYSA-N 2 0 279.403 2.885 20 0 CFADRP CC(C)OC1CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000186558808 381946498 /nfs/dbraw/zinc/94/64/98/381946498.db2.gz SOUVFADZDPIQLT-UHFFFAOYSA-N 2 0 268.445 2.795 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCO[C@@H]1C ZINC000186574376 381952336 /nfs/dbraw/zinc/95/23/36/381952336.db2.gz GJGHOMLDOQQIGC-NJAFHUGGSA-N 2 0 290.451 2.910 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC2(C)COC2)CC1)CC1CC1 ZINC000357091953 382005156 /nfs/dbraw/zinc/00/51/56/382005156.db2.gz XUSBSOUPVFDGLN-UHFFFAOYSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@@H](c1ccccc1)[N@H+](CCOCC[NH3+])CC1CCC1 ZINC000357103915 382008535 /nfs/dbraw/zinc/00/85/35/382008535.db2.gz LOINMAQVVVCARN-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCSC1 ZINC000373299159 381974603 /nfs/dbraw/zinc/97/46/03/381974603.db2.gz MIMUAYRIJRZTJG-HNNXBMFYSA-N 2 0 282.497 2.984 20 0 CFADRP COc1ccc([C@H]2CCCCC[N@@H+]2CCOCC[NH3+])cc1 ZINC000357031657 381978230 /nfs/dbraw/zinc/97/82/30/381978230.db2.gz REAUFGHIDBSXEA-QGZVFWFLSA-N 2 0 292.423 2.588 20 0 CFADRP COc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357038930 381982102 /nfs/dbraw/zinc/98/21/02/381982102.db2.gz AIWMNPGDWAWDSW-HNNXBMFYSA-N 2 0 274.408 2.517 20 0 CFADRP COc1ccsc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357043583 381984091 /nfs/dbraw/zinc/98/40/91/381984091.db2.gz GPSHQGABCHQESE-CYBMUJFWSA-N 2 0 280.437 2.578 20 0 CFADRP CC/C=C/CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000373347427 381984143 /nfs/dbraw/zinc/98/41/43/381984143.db2.gz LSLOXKVVMNMXMH-NTBLUZEKSA-N 2 0 266.429 2.526 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000357057658 381990357 /nfs/dbraw/zinc/99/03/57/381990357.db2.gz USGWZWBCODFGHT-GOSISDBHSA-N 2 0 287.451 2.644 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357057057 381990896 /nfs/dbraw/zinc/99/08/96/381990896.db2.gz TYETWJCXNFOQGG-OCCSQVGLSA-N 2 0 294.826 2.780 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357061285 381992807 /nfs/dbraw/zinc/99/28/07/381992807.db2.gz ZYCSYDMBJGYZAA-MRXNPFEDSA-N 2 0 274.408 2.517 20 0 CFADRP Fc1ccc(F)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357066712 381994912 /nfs/dbraw/zinc/99/49/12/381994912.db2.gz CCOPYWRDFRZCHR-ZDUSSCGKSA-N 2 0 280.362 2.786 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CC3)[C@H](C)C1 ZINC000417332268 382043669 /nfs/dbraw/zinc/04/36/69/382043669.db2.gz DARKXXKGMGXBIM-PMPSAXMXSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)C1 ZINC000343979038 382046562 /nfs/dbraw/zinc/04/65/62/382046562.db2.gz IPTKKLZLNIAQIV-DJIMGWMZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](F)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351723216 382059647 /nfs/dbraw/zinc/05/96/47/382059647.db2.gz YGGOSQXCHHSXKF-IHRRRGAJSA-N 2 0 256.409 2.977 20 0 CFADRP Cc1sccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000351807040 382063475 /nfs/dbraw/zinc/06/34/75/382063475.db2.gz GPRVCIMJKKGDMW-ARFHVFGLSA-N 2 0 294.464 2.740 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300698090 382066659 /nfs/dbraw/zinc/06/66/59/382066659.db2.gz UHNHFDGCEYRVMY-BZUAXINKSA-N 2 0 270.461 2.686 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCCC1 ZINC000343927927 382024623 /nfs/dbraw/zinc/02/46/23/382024623.db2.gz KDFNXSUSJQAEPA-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000351416883 382038482 /nfs/dbraw/zinc/03/84/82/382038482.db2.gz PVQGDXZPDHYREE-MSOLQXFVSA-N 2 0 293.499 2.669 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CC1(C)C ZINC000417314306 382038773 /nfs/dbraw/zinc/03/87/73/382038773.db2.gz QVZOCANFVAQNFZ-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000417320940 382039469 /nfs/dbraw/zinc/03/94/69/382039469.db2.gz KSPAGEAXJMBTEC-ULQDDVLXSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+]([C@@H]2CCOC2)CC1 ZINC000374256611 382039836 /nfs/dbraw/zinc/03/98/36/382039836.db2.gz ACFXXDZMDQDGRX-QZTJIDSGSA-N 2 0 288.435 2.762 20 0 CFADRP CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000186900013 382040657 /nfs/dbraw/zinc/04/06/57/382040657.db2.gz DSTSJQXCJSJWPF-MSOLQXFVSA-N 2 0 296.499 2.837 20 0 CFADRP Oc1cc(F)cc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000351993506 382113074 /nfs/dbraw/zinc/11/30/74/382113074.db2.gz AKYBAZPOZIKPMT-MRXNPFEDSA-N 2 0 288.322 2.580 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000344085223 382118421 /nfs/dbraw/zinc/11/84/21/382118421.db2.gz PIPUGSRZTWGNFG-HYVNUMGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000376122316 382121965 /nfs/dbraw/zinc/12/19/65/382121965.db2.gz HGHYYWRPMDXOKS-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP CN(CCC[N@H+](C)Cc1cccc(Cl)c1)CC[NH+](C)C ZINC000344028132 382076337 /nfs/dbraw/zinc/07/63/37/382076337.db2.gz CCTVXXJBXCLNHW-UHFFFAOYSA-N 2 0 297.874 2.655 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CCSCC1 ZINC000187028236 382079553 /nfs/dbraw/zinc/07/95/53/382079553.db2.gz ZQUFQHKRAQYOHD-UONOGXRCSA-N 2 0 270.486 2.840 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCOCC2(CCCC2)C1 ZINC000375400779 382084178 /nfs/dbraw/zinc/08/41/78/382084178.db2.gz DPIKZKIRMIGCDO-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(C)n1 ZINC000187072532 382091800 /nfs/dbraw/zinc/09/18/00/382091800.db2.gz UWEXDJHHSOVQNM-MRXNPFEDSA-N 2 0 273.424 2.616 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000344179770 382182701 /nfs/dbraw/zinc/18/27/01/382182701.db2.gz LSUGUMLANZOOHM-NXHRZFHOSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(CCCCO2)C1 ZINC000376467031 382137275 /nfs/dbraw/zinc/13/72/75/382137275.db2.gz CDHVYXCOUDRBGZ-HZPDHXFCSA-N 2 0 266.429 2.506 20 0 CFADRP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000352040547 382145320 /nfs/dbraw/zinc/14/53/20/382145320.db2.gz PJMDYSDLQMVPET-DOTOQJQBSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187316417 382153357 /nfs/dbraw/zinc/15/33/57/382153357.db2.gz KSUYYOKORLMKBX-CYBMUJFWSA-N 2 0 270.486 2.981 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000376670756 382163616 /nfs/dbraw/zinc/16/36/16/382163616.db2.gz IPKXFTGNJVCTLD-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C([C@H]1CCOC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344156981 382166558 /nfs/dbraw/zinc/16/65/58/382166558.db2.gz XKZNYWWSOMNKFN-DLBZAZTESA-N 2 0 280.456 2.611 20 0 CFADRP CC(C)(C)SCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000376766799 382172890 /nfs/dbraw/zinc/17/28/90/382172890.db2.gz YONWFCYZTPTITB-CQSZACIVSA-N 2 0 270.486 2.936 20 0 CFADRP Cc1ccnc(N(C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)c1 ZINC000362680480 382197469 /nfs/dbraw/zinc/19/74/69/382197469.db2.gz JHHHGEVMFBKUIC-SJLPKXTDSA-N 2 0 296.418 2.914 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000293627030 382203562 /nfs/dbraw/zinc/20/35/62/382203562.db2.gz JYXQAWQDHHFAQG-CHWSQXEVSA-N 2 0 280.412 2.552 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000357522472 382205587 /nfs/dbraw/zinc/20/55/87/382205587.db2.gz AXRMKNJVVAMFIS-INIZCTEOSA-N 2 0 276.424 2.729 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000293640088 382209868 /nfs/dbraw/zinc/20/98/68/382209868.db2.gz KSEQKSXOWYZPLN-YCPHGPKFSA-N 2 0 264.413 2.550 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000377135235 382223719 /nfs/dbraw/zinc/22/37/19/382223719.db2.gz ZULHCFKRFPWMPO-XSLAGTTESA-N 2 0 294.483 2.780 20 0 CFADRP CO[C@@H](CC(C)C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000419194734 382238449 /nfs/dbraw/zinc/23/84/49/382238449.db2.gz WXAVDWBDOUGBRD-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC2CCC2)CC1 ZINC000419292791 382276346 /nfs/dbraw/zinc/27/63/46/382276346.db2.gz ZPGJPYGAYOYFRC-OAHLLOKOSA-N 2 0 280.456 2.894 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000352342150 382280698 /nfs/dbraw/zinc/28/06/98/382280698.db2.gz OPFJLQZABYCXEQ-IAGOWNOFSA-N 2 0 290.451 2.820 20 0 CFADRP CO[C@H](CC(C)C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000419194736 382239543 /nfs/dbraw/zinc/23/95/43/382239543.db2.gz WXAVDWBDOUGBRD-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC)OC ZINC000419234647 382252602 /nfs/dbraw/zinc/25/26/02/382252602.db2.gz CAZIWJUDRJXNIV-XHSDSOJGSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000419236565 382255910 /nfs/dbraw/zinc/25/59/10/382255910.db2.gz FEFCIHFORCLXSC-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)cc2)CC[N@@H+]1C ZINC000344623009 382270996 /nfs/dbraw/zinc/27/09/96/382270996.db2.gz HFWRZMJJSYDZHH-IHLDYCTFSA-N 2 0 262.372 2.911 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420292294 382344088 /nfs/dbraw/zinc/34/40/88/382344088.db2.gz PCWFZZOZUZCSCT-TZMCWYRMSA-N 2 0 299.418 2.718 20 0 CFADRP c1ccc(C2CC([NH2+]CCCC[NH+]3CCCC3)C2)nc1 ZINC000377646124 382310619 /nfs/dbraw/zinc/31/06/19/382310619.db2.gz HNKPWCFMNLXDAV-UHFFFAOYSA-N 2 0 273.424 2.793 20 0 CFADRP CSc1ccccc1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420291882 382344435 /nfs/dbraw/zinc/34/44/35/382344435.db2.gz OGTCGZOILCWRIN-GXTWGEPZSA-N 2 0 264.438 2.968 20 0 CFADRP Cc1nocc1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000293888554 382323236 /nfs/dbraw/zinc/32/32/36/382323236.db2.gz KEHVHNQNVJQNCM-UHFFFAOYSA-N 2 0 277.368 2.530 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000420294550 382345395 /nfs/dbraw/zinc/34/53/95/382345395.db2.gz BBDSQWNOVWWUPL-VNHYZAJKSA-N 2 0 262.397 2.610 20 0 CFADRP OCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188037592 382330719 /nfs/dbraw/zinc/33/07/19/382330719.db2.gz IDMMUIIWJFVRCR-MAUKXSAKSA-N 2 0 294.483 2.924 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1C ZINC000377755421 382335557 /nfs/dbraw/zinc/33/55/57/382335557.db2.gz GKPBZMVCKLUSRU-JSGCOSHPSA-N 2 0 285.391 2.935 20 0 CFADRP OCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000188073997 382339891 /nfs/dbraw/zinc/33/98/91/382339891.db2.gz QVEFJYXTPZNSMT-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420288529 382341473 /nfs/dbraw/zinc/34/14/73/382341473.db2.gz HENWIACUNWPMMF-UHFFFAOYSA-N 2 0 252.324 2.650 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000302714480 382299710 /nfs/dbraw/zinc/29/97/10/382299710.db2.gz YUJYEVIRYXRGRY-XHSDSOJGSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000680469165 542327895 /nfs/dbraw/zinc/32/78/95/542327895.db2.gz FWFIEGQTMCUICE-WCQYABFASA-N 2 0 281.469 2.875 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420298877 382349643 /nfs/dbraw/zinc/34/96/43/382349643.db2.gz IEINMUKBKYHPDJ-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP Cc1ccccc1N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420298123 382350473 /nfs/dbraw/zinc/35/04/73/382350473.db2.gz GUEKIBVWWWKIFU-KRWDZBQOSA-N 2 0 287.451 2.507 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357854895 382351247 /nfs/dbraw/zinc/35/12/47/382351247.db2.gz RUDZAFZMOQZBEF-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000420302006 382351529 /nfs/dbraw/zinc/35/15/29/382351529.db2.gz LUGCZKNXMHKLHZ-UKRRQHHQSA-N 2 0 288.391 2.552 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420304915 382353212 /nfs/dbraw/zinc/35/32/12/382353212.db2.gz JLOWTIRJQYIAIL-ULQDDVLXSA-N 2 0 288.435 2.687 20 0 CFADRP Cc1csc([C@H]2CCCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420306199 382355481 /nfs/dbraw/zinc/35/54/81/382355481.db2.gz ABHZHABJOHBJRD-UONOGXRCSA-N 2 0 279.453 2.978 20 0 CFADRP C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420307115 382356483 /nfs/dbraw/zinc/35/64/83/382356483.db2.gz RCHAPUMPLYIKSX-KKUMJFAQSA-N 2 0 268.470 2.736 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420305984 382356538 /nfs/dbraw/zinc/35/65/38/382356538.db2.gz QFNWVQQAXQBPQZ-DOTOQJQBSA-N 2 0 288.435 2.874 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420305913 382356543 /nfs/dbraw/zinc/35/65/43/382356543.db2.gz KSDARQBKQWMOLX-NEPJUHHUSA-N 2 0 250.411 2.578 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000420310128 382357322 /nfs/dbraw/zinc/35/73/22/382357322.db2.gz PPFFDLVMZFPXHO-UHFFFAOYSA-N 2 0 290.436 2.513 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000420310865 382359752 /nfs/dbraw/zinc/35/97/52/382359752.db2.gz VGYDMGGKCPSSKH-QAPCUYQASA-N 2 0 272.436 2.865 20 0 CFADRP Cc1ccn(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000365059410 382360747 /nfs/dbraw/zinc/36/07/47/382360747.db2.gz XQOUDMJQKLOXOW-MRXNPFEDSA-N 2 0 290.455 2.703 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CCS1 ZINC000420314109 382361510 /nfs/dbraw/zinc/36/15/10/382361510.db2.gz YTUGOXXFDMGMHT-GOEBONIOSA-N 2 0 294.464 2.565 20 0 CFADRP COc1ccccc1CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420315753 382361947 /nfs/dbraw/zinc/36/19/47/382361947.db2.gz LJBKHYVBSXLOHX-SJPCQFCGSA-N 2 0 288.435 2.843 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccncc2)cc1 ZINC000680480352 542329910 /nfs/dbraw/zinc/32/99/10/542329910.db2.gz YOFKQUNLBBYKAH-UHFFFAOYSA-N 2 0 299.418 2.654 20 0 CFADRP c1csc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420318436 382364010 /nfs/dbraw/zinc/36/40/10/382364010.db2.gz OBDXTNJGXVVANG-KBPBESRZSA-N 2 0 279.453 2.712 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420316128 382364570 /nfs/dbraw/zinc/36/45/70/382364570.db2.gz XVQWOBPDOHIQAW-MNOVXSKESA-N 2 0 286.778 2.527 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420316234 382364725 /nfs/dbraw/zinc/36/47/25/382364725.db2.gz LXUAOBLVDHYUDD-KURKYZTESA-N 3 0 293.499 2.572 20 0 CFADRP CCc1cnc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420320369 382366253 /nfs/dbraw/zinc/36/62/53/382366253.db2.gz QBAIKPDXLFXRDS-LBPRGKRZSA-N 2 0 267.442 2.527 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000420321146 382367422 /nfs/dbraw/zinc/36/74/22/382367422.db2.gz QUSLEMXYXUPNOC-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP CCC[C@@H](C)[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321777 382368484 /nfs/dbraw/zinc/36/84/84/382368484.db2.gz RRLNRHGDORHRCS-UKRRQHHQSA-N 2 0 264.413 2.858 20 0 CFADRP c1csc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420322525 382369445 /nfs/dbraw/zinc/36/94/45/382369445.db2.gz SPSTXKHMFILRRR-ZDUSSCGKSA-N 2 0 279.453 2.712 20 0 CFADRP Fc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420326828 382371624 /nfs/dbraw/zinc/37/16/24/382371624.db2.gz XVRPPZBNKQZRQB-BBRMVZONSA-N 2 0 262.372 2.962 20 0 CFADRP Clc1cccc(O[C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420352291 382378095 /nfs/dbraw/zinc/37/80/95/382378095.db2.gz AADPJDTZENKXMB-BBRMVZONSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420362593 382383175 /nfs/dbraw/zinc/38/31/75/382383175.db2.gz AXDFWMJJMHOAHJ-RYUDHWBXSA-N 2 0 252.789 2.990 20 0 CFADRP CCOC(=O)C1([N@H+](C)CC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000420362434 382383381 /nfs/dbraw/zinc/38/33/81/382383381.db2.gz OHTIDYXYHKRLST-OAHLLOKOSA-N 2 0 296.455 2.574 20 0 CFADRP Clc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420363213 382385641 /nfs/dbraw/zinc/38/56/41/382385641.db2.gz BJZSQYRLSHFVSR-XHDPSFHLSA-N 2 0 264.800 2.990 20 0 CFADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420363143 382385671 /nfs/dbraw/zinc/38/56/71/382385671.db2.gz BFQAUWRKBTYPCL-IIDMSEBBSA-N 2 0 288.435 2.700 20 0 CFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1C ZINC000352539629 382387254 /nfs/dbraw/zinc/38/72/54/382387254.db2.gz BJRAZSUUBPROMI-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000346499769 382387511 /nfs/dbraw/zinc/38/75/11/382387511.db2.gz YJNDMIWRGMEZFT-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420365682 382387554 /nfs/dbraw/zinc/38/75/54/382387554.db2.gz FDYCKUAPJCNNDO-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000420365465 382387958 /nfs/dbraw/zinc/38/79/58/382387958.db2.gz SEEZTVOTOPDIMK-ZDUSSCGKSA-N 2 0 278.444 2.529 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420369353 382389234 /nfs/dbraw/zinc/38/92/34/382389234.db2.gz IRQFXKLEDAMNHQ-VXGBXAGGSA-N 2 0 284.350 2.938 20 0 CFADRP CCCC1CCC(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000352544732 382389898 /nfs/dbraw/zinc/38/98/98/382389898.db2.gz COKCHFFGJBKSHE-DAWZGUTISA-N 2 0 293.499 2.572 20 0 CFADRP c1cc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000420370806 382390608 /nfs/dbraw/zinc/39/06/08/382390608.db2.gz ZFHIFFASVBSOBX-HNNXBMFYSA-N 2 0 273.424 2.651 20 0 CFADRP C[C@@H](C1CCCCC1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000420370212 382390616 /nfs/dbraw/zinc/39/06/16/382390616.db2.gz YRKFIYSBDOOFLC-NSHDSACASA-N 2 0 280.416 2.664 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420376759 382392346 /nfs/dbraw/zinc/39/23/46/382392346.db2.gz REELEPJQVVITSS-SMDDNHRTSA-N 2 0 252.789 2.990 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420375279 382393466 /nfs/dbraw/zinc/39/34/66/382393466.db2.gz PCEVMJWQNNBBMI-CVEARBPZSA-N 2 0 290.455 2.820 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000420297325 382347437 /nfs/dbraw/zinc/34/74/37/382347437.db2.gz CXQJTTSCTMKHHR-KGLIPLIRSA-N 2 0 262.397 2.775 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420296354 382347923 /nfs/dbraw/zinc/34/79/23/382347923.db2.gz DJTNHFFDRBAVPM-JJXSEGSLSA-N 2 0 280.456 2.512 20 0 CFADRP Fc1ccccc1C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000420295438 382348137 /nfs/dbraw/zinc/34/81/37/382348137.db2.gz AIKOXDZRUJZIPS-ZDUSSCGKSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000346633480 382447634 /nfs/dbraw/zinc/44/76/34/382447634.db2.gz DWSFMFOZVGFHLR-PBHICJAKSA-N 2 0 281.403 2.918 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365637050 382429234 /nfs/dbraw/zinc/42/92/34/382429234.db2.gz OOWWZEMGVYOTHD-AOIWGVFYSA-N 2 0 299.462 2.669 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000305164797 382430375 /nfs/dbraw/zinc/43/03/75/382430375.db2.gz YCMOVPWYATYJPG-HUUCEWRRSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H](CCN1CCOCC1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000346632240 382445351 /nfs/dbraw/zinc/44/53/51/382445351.db2.gz MCHAFASHSXHICD-WCVJEAGWSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000420405401 382400197 /nfs/dbraw/zinc/40/01/97/382400197.db2.gz MUENFMAGBMMACC-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420403743 382400415 /nfs/dbraw/zinc/40/04/15/382400415.db2.gz RNKGWCBMSVYBPE-SJLPKXTDSA-N 2 0 288.435 2.920 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000420422807 382403299 /nfs/dbraw/zinc/40/32/99/382403299.db2.gz ZTCVCBRPTBDUPU-ZIAGYGMSSA-N 2 0 265.401 2.722 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000358001155 382403555 /nfs/dbraw/zinc/40/35/55/382403555.db2.gz DMBZRQVUXGIAFS-ZYHUDNBSSA-N 2 0 272.845 2.874 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420415716 382403815 /nfs/dbraw/zinc/40/38/15/382403815.db2.gz VCVREJDLTKOFKS-PBHICJAKSA-N 2 0 260.425 2.708 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346563792 382415629 /nfs/dbraw/zinc/41/56/29/382415629.db2.gz RGWPYLKMERNZHI-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP O[C@H](CC1CCCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000188640081 382447125 /nfs/dbraw/zinc/44/71/25/382447125.db2.gz ZQWCDXOHZXOBFR-GOSISDBHSA-N 2 0 294.483 2.735 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000346685024 382471248 /nfs/dbraw/zinc/47/12/48/382471248.db2.gz IBKOADQCGBUQIE-UHFFFAOYSA-N 2 0 281.403 2.919 20 0 CFADRP [NH3+][C@@H]1CCN(Cc2cccc(-c3ccccc3)c2)C1 ZINC000346643431 382452101 /nfs/dbraw/zinc/45/21/01/382452101.db2.gz MSMWNLWLEKPJIU-QGZVFWFLSA-N 2 0 252.361 2.887 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000346652291 382455648 /nfs/dbraw/zinc/45/56/48/382455648.db2.gz QIVZNVNJCKFZQA-OCCSQVGLSA-N 2 0 287.432 2.979 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1cnc(C2CCC2)s1 ZINC000346652014 382456201 /nfs/dbraw/zinc/45/62/01/382456201.db2.gz DJSWXKDUKCWZMU-QWRGUYRKSA-N 2 0 265.426 2.580 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cnc(C2CCC2)s1 ZINC000346652011 382456325 /nfs/dbraw/zinc/45/63/25/382456325.db2.gz DJSWXKDUKCWZMU-MNOVXSKESA-N 2 0 265.426 2.580 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000346682841 382468955 /nfs/dbraw/zinc/46/89/55/382468955.db2.gz PZUMHDCVEYYMSK-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000346682434 382469898 /nfs/dbraw/zinc/46/98/98/382469898.db2.gz DWCAWVYQVMIHEP-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000346742020 382495770 /nfs/dbraw/zinc/49/57/70/382495770.db2.gz KYLMQYLVKRJSOT-HJOIGYKYSA-N 2 0 270.420 2.933 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346692378 382476050 /nfs/dbraw/zinc/47/60/50/382476050.db2.gz YLXZNWXYIKEXPJ-CJNGLKHVSA-N 2 0 298.434 2.658 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1N(C)C ZINC000346692865 382476368 /nfs/dbraw/zinc/47/63/68/382476368.db2.gz JLDDJMNSRHJZCM-HNNXBMFYSA-N 2 0 263.429 2.558 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000352807754 382477057 /nfs/dbraw/zinc/47/70/57/382477057.db2.gz AARNQKVCGLYSPG-NVXWUHKLSA-N 2 0 294.483 2.804 20 0 CFADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000378527097 382479981 /nfs/dbraw/zinc/47/99/81/382479981.db2.gz CBLYDGHQOTWLAU-IRXDYDNUSA-N 2 0 294.483 2.780 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000308731314 382485384 /nfs/dbraw/zinc/48/53/84/382485384.db2.gz JOYNCZHMKDGBKS-BFHYXJOUSA-N 2 0 256.434 2.510 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1F ZINC000346807621 382522974 /nfs/dbraw/zinc/52/29/74/382522974.db2.gz TYHXBGJUPBSTEK-SLEUVZQESA-N 2 0 280.387 2.968 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000381930182 382526134 /nfs/dbraw/zinc/52/61/34/382526134.db2.gz WQUKTDAUOAXXEA-PVAVHDDUSA-N 2 0 258.409 2.864 20 0 CFADRP FC1(F)CC[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000311139887 382501776 /nfs/dbraw/zinc/50/17/76/382501776.db2.gz DJPHDAZVLUIHDZ-CYBMUJFWSA-N 2 0 272.383 2.886 20 0 CFADRP CCc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311617492 382506057 /nfs/dbraw/zinc/50/60/57/382506057.db2.gz GZHOACSSSYIRDW-IYBDPMFKSA-N 2 0 258.409 2.680 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311730169 382508163 /nfs/dbraw/zinc/50/81/63/382508163.db2.gz QXRRAXXXUWJYRL-MCIONIFRSA-N 2 0 262.372 2.818 20 0 CFADRP C[C@H](Cc1ccccc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311879914 382508924 /nfs/dbraw/zinc/50/89/24/382508924.db2.gz BIGCLIGWSPXSQM-XJKCOSOUSA-N 2 0 264.388 2.673 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000379751400 382509786 /nfs/dbraw/zinc/50/97/86/382509786.db2.gz MUOVEMOQEPEYCU-ZDUSSCGKSA-N 2 0 252.427 2.876 20 0 CFADRP Cc1ccc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312046906 382509962 /nfs/dbraw/zinc/50/99/62/382509962.db2.gz VOALKYDTXJAQCU-IYBDPMFKSA-N 2 0 258.409 2.735 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000346798489 382515342 /nfs/dbraw/zinc/51/53/42/382515342.db2.gz UWIVINQKZVBCDQ-UXLLHSPISA-N 2 0 260.425 2.998 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000294530943 382515314 /nfs/dbraw/zinc/51/53/14/382515314.db2.gz CPMOVMKUGZVINT-PBHICJAKSA-N 2 0 289.423 2.598 20 0 CFADRP C[C@@H]1[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCN1C ZINC000346797514 382515540 /nfs/dbraw/zinc/51/55/40/382515540.db2.gz OAACNTSHEZTNFB-LYRGGWFBSA-N 2 0 278.827 2.880 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000346798491 382515694 /nfs/dbraw/zinc/51/56/94/382515694.db2.gz UWIVINQKZVBCDQ-YQQAZPJKSA-N 2 0 260.425 2.998 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000312867760 382519091 /nfs/dbraw/zinc/51/90/91/382519091.db2.gz YQJJXZGCESNHAF-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000383009684 382538934 /nfs/dbraw/zinc/53/89/34/382538934.db2.gz AUZCNRUWIANFOF-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000358338947 382575860 /nfs/dbraw/zinc/57/58/60/382575860.db2.gz HWFCGWLDIWUZQD-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000346848824 382542340 /nfs/dbraw/zinc/54/23/40/382542340.db2.gz ODIVXUYLIDENOR-MRXNPFEDSA-N 2 0 287.451 2.718 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346847563 382542786 /nfs/dbraw/zinc/54/27/86/382542786.db2.gz PKUSAVDGAUXDFV-RHSMWYFYSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@H](CC1CCOCC1)CN(CC[NH3+])Cc1ccccc1 ZINC000346852487 382544145 /nfs/dbraw/zinc/54/41/45/382544145.db2.gz RTWJQEWBSZREQS-MRXNPFEDSA-N 2 0 290.451 2.900 20 0 CFADRP C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)C[NH+]1CCCC1 ZINC000327872679 382545269 /nfs/dbraw/zinc/54/52/69/382545269.db2.gz KFJUDFXNAMCHSN-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384119636 382548138 /nfs/dbraw/zinc/54/81/38/382548138.db2.gz NNQJRJVTEQOQMN-QZTJIDSGSA-N 2 0 290.451 2.899 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](Cc2ccccc2)OC)C1 ZINC000295097490 382576369 /nfs/dbraw/zinc/57/63/69/382576369.db2.gz SYPKPICIFGBMTL-ROUUACIJSA-N 2 0 290.451 2.518 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000346870184 382553400 /nfs/dbraw/zinc/55/34/00/382553400.db2.gz KYWYFSPDQRRZCU-DZGCQCFKSA-N 2 0 279.403 2.558 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CC(C)(C)C)N1CC[NH+](C)CC1 ZINC000384637800 382556276 /nfs/dbraw/zinc/55/62/76/382556276.db2.gz AILYZUFHDLPMNF-JKSUJKDBSA-N 2 0 283.504 2.673 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000346887251 382559475 /nfs/dbraw/zinc/55/94/75/382559475.db2.gz SCICBTULRCTNJG-BBRMVZONSA-N 2 0 279.403 2.558 20 0 CFADRP C[N@H+](CCOc1ccc2ccccc2c1)C1CC([NH3+])C1 ZINC000384929580 382562746 /nfs/dbraw/zinc/56/27/46/382562746.db2.gz CTZJKRHISSBXQG-UHFFFAOYSA-N 2 0 270.376 2.640 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000680637850 542343289 /nfs/dbraw/zinc/34/32/89/542343289.db2.gz UCUKNGNPUXIGMF-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CSCC1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000385467081 382570911 /nfs/dbraw/zinc/57/09/11/382570911.db2.gz XFIPUPNPRIQRED-SHARSMKWSA-N 2 0 282.497 2.982 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367602188 382577615 /nfs/dbraw/zinc/57/76/15/382577615.db2.gz RREHDNHWFUZOMR-BZUAXINKSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000385614221 382572440 /nfs/dbraw/zinc/57/24/40/382572440.db2.gz OITNFKUEYYVPMW-IUODEOHRSA-N 2 0 250.361 2.551 20 0 CFADRP CCOC(=O)C[C@@](C)([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000189241911 382572542 /nfs/dbraw/zinc/57/25/42/382572542.db2.gz OLSSBQRTFZPUOI-QGZVFWFLSA-N 2 0 298.471 2.820 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353255226 382531342 /nfs/dbraw/zinc/53/13/42/382531342.db2.gz WPZSJCQURFTBRU-IHRRRGAJSA-N 2 0 259.397 2.849 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346827222 382532167 /nfs/dbraw/zinc/53/21/67/382532167.db2.gz HWZSDHJEEDFIQF-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386486041 382590212 /nfs/dbraw/zinc/59/02/12/382590212.db2.gz SXWUHPZWNNAELV-IGQOVBAYSA-N 2 0 256.459 2.781 20 0 CFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)[NH3+] ZINC000346972669 382593264 /nfs/dbraw/zinc/59/32/64/382593264.db2.gz HKPFYGDWBYSQJU-QGZVFWFLSA-N 2 0 289.467 2.568 20 0 CFADRP CCc1ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)s1 ZINC000387258973 382596908 /nfs/dbraw/zinc/59/69/08/382596908.db2.gz BHMPDZUNYGOWJP-UHFFFAOYSA-N 2 0 269.458 2.916 20 0 CFADRP Cc1ncsc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387330687 382597149 /nfs/dbraw/zinc/59/71/49/382597149.db2.gz OKOSGTKIHUNUNZ-UHFFFAOYSA-N 2 0 255.431 2.662 20 0 CFADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000387280549 382597369 /nfs/dbraw/zinc/59/73/69/382597369.db2.gz GBKIWOHGLKYSMU-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000387785434 382601346 /nfs/dbraw/zinc/60/13/46/382601346.db2.gz FCLLSGTWLXTAGV-LYYZXLFJSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000389056286 382611663 /nfs/dbraw/zinc/61/16/63/382611663.db2.gz JTMHCLJJNCTAHI-UGUYLWEFSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000389949683 382616857 /nfs/dbraw/zinc/61/68/57/382616857.db2.gz RYXDUKHZCAENRX-LSDHHAIUSA-N 2 0 264.413 2.699 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])COCc1ccccc1 ZINC000389945232 382617287 /nfs/dbraw/zinc/61/72/87/382617287.db2.gz SYRMGECYVNCHDP-CABCVRRESA-N 2 0 264.413 2.556 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389804244 382617396 /nfs/dbraw/zinc/61/73/96/382617396.db2.gz UMAOWHBBBJAUOY-JZXOWHBKSA-N 2 0 289.467 2.614 20 0 CFADRP Cc1nc2ccccn2c1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000353736144 382621042 /nfs/dbraw/zinc/62/10/42/382621042.db2.gz FZYLADMKGPJIRT-GOEBONIOSA-N 2 0 298.434 2.701 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2)C[C@@H]1C ZINC000353743895 382622916 /nfs/dbraw/zinc/62/29/16/382622916.db2.gz DYWHXXIIXHWODF-GOEBONIOSA-N 2 0 276.424 3.000 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367631783 382578971 /nfs/dbraw/zinc/57/89/71/382578971.db2.gz FIKKUUPBFFRQRP-ZBFHGGJFSA-N 2 0 290.455 2.889 20 0 CFADRP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]cc1-c1cccnc1 ZINC000367635226 382579168 /nfs/dbraw/zinc/57/91/68/382579168.db2.gz ODCPONAVJBJAAB-AWEZNQCLSA-N 2 0 284.407 2.708 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000385865310 382579319 /nfs/dbraw/zinc/57/93/19/382579319.db2.gz XPHFAMFHFQNIGR-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367672018 382581651 /nfs/dbraw/zinc/58/16/51/382581651.db2.gz LRTLOCWYAFWSBY-MRXNPFEDSA-N 2 0 281.488 2.523 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cncc(C)c2)CC[NH+](C)CC1 ZINC000353622127 382582840 /nfs/dbraw/zinc/58/28/40/382582840.db2.gz LMVYNEBHJVIBPC-CQSZACIVSA-N 2 0 293.480 2.868 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190957001 382686138 /nfs/dbraw/zinc/68/61/38/382686138.db2.gz YNPBLWHTCMPALX-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190956362 382686232 /nfs/dbraw/zinc/68/62/32/382686232.db2.gz QJRFZWITXMTERU-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000399121970 382637818 /nfs/dbraw/zinc/63/78/18/382637818.db2.gz LHIVTAPXWFQGMJ-GUYCJALGSA-N 2 0 258.409 2.953 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000191166215 382694140 /nfs/dbraw/zinc/69/41/40/382694140.db2.gz RUGJSPHXMHIZDD-HIFRSBDPSA-N 2 0 290.455 2.907 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000191838354 382702841 /nfs/dbraw/zinc/70/28/41/382702841.db2.gz JRDFMBCDXFHGLH-ZBFHGGJFSA-N 2 0 276.424 2.873 20 0 CFADRP COC(=O)C1CCC([NH2+]CCC[NH+](C(C)C)C(C)C)CC1 ZINC000192443988 382708964 /nfs/dbraw/zinc/70/89/64/382708964.db2.gz YAFZHVSLERJLKE-UHFFFAOYSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000192454532 382709222 /nfs/dbraw/zinc/70/92/22/382709222.db2.gz QLLUDYADIWSQCC-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000192513804 382709723 /nfs/dbraw/zinc/70/97/23/382709723.db2.gz BLCMJTHHMNQTOV-OLZOCXBDSA-N 2 0 273.380 2.510 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000192550226 382710083 /nfs/dbraw/zinc/71/00/83/382710083.db2.gz VPAJFYFTVSYZQW-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(-n3ccnc3)cc1)C2 ZINC000192746712 382711828 /nfs/dbraw/zinc/71/18/28/382711828.db2.gz XKFIPANRVZPWBF-ZNXRZULTSA-N 2 0 296.418 2.587 20 0 CFADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C ZINC000192762089 382711957 /nfs/dbraw/zinc/71/19/57/382711957.db2.gz XSAIXQRCZFRSPY-MQVJKMGUSA-N 2 0 274.408 2.718 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(SC)CCC2)CC1 ZINC000193801930 382725751 /nfs/dbraw/zinc/72/57/51/382725751.db2.gz WZGINJWAVCDFLR-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP O[C@@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[NH+]1CCCC1 ZINC000336834423 382727764 /nfs/dbraw/zinc/72/77/64/382727764.db2.gz RGLOMDWGKUEXHA-JKSUJKDBSA-N 2 0 280.456 2.536 20 0 CFADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1C ZINC000193880057 382728292 /nfs/dbraw/zinc/72/82/92/382728292.db2.gz HKRRRCLURYZBKA-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193936575 382730425 /nfs/dbraw/zinc/73/04/25/382730425.db2.gz RNQICIPZXJLBCF-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCOC2)C1 ZINC000336841401 382731962 /nfs/dbraw/zinc/73/19/62/382731962.db2.gz ZXEPAYRIELTANK-KURKYZTESA-N 2 0 294.483 2.999 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219310528 382793411 /nfs/dbraw/zinc/79/34/11/382793411.db2.gz UDBHYSHJWMNKQS-QGZVFWFLSA-N 2 0 278.440 2.868 20 0 CFADRP CC(C)C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000219323239 382793719 /nfs/dbraw/zinc/79/37/19/382793719.db2.gz OCMNGDNXQCQKAF-KRWDZBQOSA-N 2 0 278.440 2.942 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC(C)(C)C)CC1 ZINC000337180032 382772821 /nfs/dbraw/zinc/77/28/21/382772821.db2.gz LWAPMFRUPLIKFJ-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337211277 382778240 /nfs/dbraw/zinc/77/82/40/382778240.db2.gz AIJJKNHTVNOMOO-WMZOPIPTSA-N 2 0 290.451 2.912 20 0 CFADRP Cc1cnn(CCCCC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337222981 382779935 /nfs/dbraw/zinc/77/99/35/382779935.db2.gz FYMKPBYACFLEQY-UHFFFAOYSA-N 2 0 292.471 2.780 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000220210274 382795423 /nfs/dbraw/zinc/79/54/23/382795423.db2.gz DFKBJXMECGZEEM-CHWSQXEVSA-N 2 0 250.361 2.693 20 0 CFADRP OCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000194210138 382737253 /nfs/dbraw/zinc/73/72/53/382737253.db2.gz LIOFOEKSBUKCQJ-AYHJJNSGSA-N 2 0 288.435 2.544 20 0 CFADRP C[NH+](CC(O)C[N@@H+](C)CC1CCCC1)CC1CCCC1 ZINC000194454936 382744731 /nfs/dbraw/zinc/74/47/31/382744731.db2.gz SZQIIWNVZJTMOQ-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1C ZINC000219307601 382793141 /nfs/dbraw/zinc/79/31/41/382793141.db2.gz IJPFBOLEOBPTSL-HNNXBMFYSA-N 2 0 264.413 2.532 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCCC1 ZINC000577161697 382849757 /nfs/dbraw/zinc/84/97/57/382849757.db2.gz CRQQBYFZVOONHV-OWCLPIDISA-N 2 0 279.472 2.548 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221910473 382799885 /nfs/dbraw/zinc/79/98/85/382799885.db2.gz NFZBRDZXZACGQR-OAHLLOKOSA-N 2 0 278.440 2.946 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000575860140 382801668 /nfs/dbraw/zinc/80/16/68/382801668.db2.gz POIPSZHRGNICAI-NSLUBLRVSA-N 2 0 260.381 2.677 20 0 CFADRP CCC1(C)CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337335597 382804366 /nfs/dbraw/zinc/80/43/66/382804366.db2.gz LYLQNGMSMBACND-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000337340120 382805589 /nfs/dbraw/zinc/80/55/89/382805589.db2.gz PCQBPOQPABRMHR-HUUCEWRRSA-N 2 0 256.434 2.654 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000576315359 382818248 /nfs/dbraw/zinc/81/82/48/382818248.db2.gz PMMLRHSXBPPEAS-JKSUJKDBSA-N 2 0 283.504 2.673 20 0 CFADRP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000576413835 382822305 /nfs/dbraw/zinc/82/23/05/382822305.db2.gz KLRSZRMCUAEBKG-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ncc(C[NH2+]CCc2ccc(OC(C)C)cc2)n1C ZINC000576530191 382825843 /nfs/dbraw/zinc/82/58/43/382825843.db2.gz QVJXJLGLQHHNJX-UHFFFAOYSA-N 2 0 287.407 2.848 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000226331859 382826724 /nfs/dbraw/zinc/82/67/24/382826724.db2.gz NRBVLQGYBUAQFU-SGMGOOAPSA-N 2 0 250.361 2.946 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CCC1 ZINC000337474556 382827152 /nfs/dbraw/zinc/82/71/52/382827152.db2.gz RHPBCXVVTRCBLS-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1nc(C)c([C@H](C)N(C)C[C@@H]2CCC[NH2+]C2)s1 ZINC000226439575 382828439 /nfs/dbraw/zinc/82/84/39/382828439.db2.gz JTHMIZYAPBQDLK-WCQYABFASA-N 2 0 267.442 2.752 20 0 CFADRP CN(Cc1nc2ccccc2s1)C[C@@H]1CCC[NH2+]C1 ZINC000226439334 382828470 /nfs/dbraw/zinc/82/84/70/382828470.db2.gz WESAVLKRKSJFPY-GFCCVEGCSA-N 2 0 275.421 2.728 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000226435381 382828685 /nfs/dbraw/zinc/82/86/85/382828685.db2.gz KYEWPKHMHVVRGP-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCO[C@H](C(C)C)C1)N1CCCC1 ZINC000227085267 382833018 /nfs/dbraw/zinc/83/30/18/382833018.db2.gz FFGAURNDANBQPQ-ZACQAIPSSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000227327160 382835709 /nfs/dbraw/zinc/83/57/09/382835709.db2.gz SPWZTWYIFTYEAV-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CSCCCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000229583410 382852340 /nfs/dbraw/zinc/85/23/40/382852340.db2.gz WHJGYHQZAISCJZ-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228153076 382845208 /nfs/dbraw/zinc/84/52/08/382845208.db2.gz ZNMMHBNXFXNUHL-WCQYABFASA-N 2 0 258.365 2.910 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441347471 382908883 /nfs/dbraw/zinc/90/88/83/382908883.db2.gz PKTRNZQTHNKVBA-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]21 ZINC000230048937 382855085 /nfs/dbraw/zinc/85/50/85/382855085.db2.gz FOGTWZMVRURUBO-BHYGNILZSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@@H]21 ZINC000230126874 382855934 /nfs/dbraw/zinc/85/59/34/382855934.db2.gz HOVSQSWKKSPBCR-RRQGHBQHSA-N 2 0 281.403 2.794 20 0 CFADRP C[C@@H]([NH3+])c1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000577351770 382856078 /nfs/dbraw/zinc/85/60/78/382856078.db2.gz HSLXZNBJZIQUTC-CQSZACIVSA-N 2 0 287.451 2.670 20 0 CFADRP CSc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414861726 532959527 /nfs/dbraw/zinc/95/95/27/532959527.db2.gz WPFPOCZQKKOCAS-TZMCWYRMSA-N 2 0 264.438 2.886 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414793252 532959546 /nfs/dbraw/zinc/95/95/46/532959546.db2.gz KAECGXUBPZKCKD-GXTWGEPZSA-N 2 0 250.411 2.626 20 0 CFADRP CCOC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000233724821 382871502 /nfs/dbraw/zinc/87/15/02/382871502.db2.gz SCRKJCXXAQJIGZ-QGZVFWFLSA-N 2 0 291.439 2.701 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000577861563 382873091 /nfs/dbraw/zinc/87/30/91/382873091.db2.gz FMIGBZJOESHDAR-KSZLIROESA-N 2 0 288.435 2.933 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000234252914 382873609 /nfs/dbraw/zinc/87/36/09/382873609.db2.gz QLZYWQMPQYQJAK-INIZCTEOSA-N 2 0 262.397 2.701 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CSc3ccccc32)C1 ZINC000577887435 382874479 /nfs/dbraw/zinc/87/44/79/382874479.db2.gz QWORMUZBHSWQSO-XQQFMLRXSA-N 2 0 262.422 2.735 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235044564 382876406 /nfs/dbraw/zinc/87/64/06/382876406.db2.gz CQHJGOHFAMOTRE-ZFWWWQNUSA-N 2 0 262.397 2.515 20 0 CFADRP CC[C@H](F)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000440762657 382879547 /nfs/dbraw/zinc/87/95/47/382879547.db2.gz IQYJHAKWJJLRPE-AWEZNQCLSA-N 2 0 274.424 2.557 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235374521 382879711 /nfs/dbraw/zinc/87/97/11/382879711.db2.gz JIVRPXKDANMGPN-BBRMVZONSA-N 2 0 250.430 2.910 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578005206 382881506 /nfs/dbraw/zinc/88/15/06/382881506.db2.gz QKNZJGAHMBUKGV-IPYPFGDCSA-N 2 0 292.471 2.985 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337998565 382894842 /nfs/dbraw/zinc/89/48/42/382894842.db2.gz VLRDSPNIRFKIQC-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP FCCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000338000261 382895590 /nfs/dbraw/zinc/89/55/90/382895590.db2.gz VPLXKBZFAJOAGZ-CABCVRRESA-N 2 0 256.409 2.980 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1(C)C ZINC000338014702 382902416 /nfs/dbraw/zinc/90/24/16/382902416.db2.gz WTFZQVDMQOUZKM-CVEARBPZSA-N 2 0 299.478 2.520 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)nc21 ZINC000578637762 382939327 /nfs/dbraw/zinc/93/93/27/382939327.db2.gz DPKPIFFAADTUSR-GXTWGEPZSA-N 2 0 287.407 2.656 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422946033 532964038 /nfs/dbraw/zinc/96/40/38/532964038.db2.gz ODJIPUYXXHCHSK-NEPJUHHUSA-N 2 0 297.830 2.774 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCSC1 ZINC000494971622 382948229 /nfs/dbraw/zinc/94/82/29/382948229.db2.gz HVLXYCVRGUVNLD-UONOGXRCSA-N 2 0 256.459 2.546 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000442742653 382950989 /nfs/dbraw/zinc/95/09/89/382950989.db2.gz DDVWTQSYVDEHCR-AGIUHOORSA-N 2 0 280.416 2.881 20 0 CFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535086009 382952018 /nfs/dbraw/zinc/95/20/18/382952018.db2.gz IRXGSCNLOXXAEI-HZPDHXFCSA-N 2 0 296.499 2.980 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766609 382953269 /nfs/dbraw/zinc/95/32/69/382953269.db2.gz LBUXYLNSCUNHRN-CTVHLWBWSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000442764599 382953433 /nfs/dbraw/zinc/95/34/33/382953433.db2.gz CTNHLPXZRXQOGB-RYUDHWBXSA-N 2 0 289.354 2.650 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442782316 382955129 /nfs/dbraw/zinc/95/51/29/382955129.db2.gz QSSJTABGJNTGRV-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000421873240 382955866 /nfs/dbraw/zinc/95/58/66/382955866.db2.gz HQRLLANMCBJVSM-LMWSTFAQSA-N 2 0 265.376 2.744 20 0 CFADRP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000578822149 382956950 /nfs/dbraw/zinc/95/69/50/382956950.db2.gz WVVILWXAWLHXIF-SFHVURJKSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000495080643 382959868 /nfs/dbraw/zinc/95/98/68/382959868.db2.gz DIHBVUCPBPHYMQ-ZJIFWQFVSA-N 2 0 252.446 2.989 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC[NH2+]1 ZINC000578846502 382959893 /nfs/dbraw/zinc/95/98/93/382959893.db2.gz DJKYMAWRJBRDGB-BFYDXBDKSA-N 2 0 276.399 2.945 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000495085097 382960087 /nfs/dbraw/zinc/96/00/87/382960087.db2.gz OBCCOARXTXCFRU-IIDMSEBBSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422752929 532964996 /nfs/dbraw/zinc/96/49/96/532964996.db2.gz BMKKQLRRKNXBOO-ZJUUUORDSA-N 2 0 258.312 2.503 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](SCC3CC[NH2+]CC3)C2)cc1 ZINC000578864307 382961788 /nfs/dbraw/zinc/96/17/88/382961788.db2.gz CXQWQZOBHLBDPP-QGZVFWFLSA-N 2 0 290.476 2.994 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442872107 382962315 /nfs/dbraw/zinc/96/23/15/382962315.db2.gz JCSWYMLCYISHKG-HZPDHXFCSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1nccn1CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534219978 382918816 /nfs/dbraw/zinc/91/88/16/382918816.db2.gz QLWMXNABXNDQAU-UHFFFAOYSA-N 2 0 292.471 2.634 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1cccs1 ZINC000578518514 382928137 /nfs/dbraw/zinc/92/81/37/382928137.db2.gz MYLDAVZTCRMSKT-TZMCWYRMSA-N 2 0 252.427 2.788 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578593302 382934697 /nfs/dbraw/zinc/93/46/97/382934697.db2.gz DLYZLBFKWPZZCN-QKPAOTATSA-N 2 0 268.445 2.652 20 0 CFADRP CCCCCn1cc(C[NH2+]C2CCC(C[NH3+])CC2)c(C)n1 ZINC000423020534 383016392 /nfs/dbraw/zinc/01/63/92/383016392.db2.gz BUZCORKFJPZZNX-UHFFFAOYSA-N 2 0 292.471 2.989 20 0 CFADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000422699608 382975134 /nfs/dbraw/zinc/97/51/34/382975134.db2.gz ASKVBRATYKNDPC-ROUUACIJSA-N 2 0 285.435 2.595 20 0 CFADRP COCC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000338389473 383016503 /nfs/dbraw/zinc/01/65/03/383016503.db2.gz TZEWXFSNLYNIGB-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422737112 382975596 /nfs/dbraw/zinc/97/55/96/382975596.db2.gz HMUFOYHHRONIFK-ROUUACIJSA-N 2 0 287.451 2.843 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000422752287 382978252 /nfs/dbraw/zinc/97/82/52/382978252.db2.gz CMQIARDRDFMRJW-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799905 382980313 /nfs/dbraw/zinc/98/03/13/382980313.db2.gz AGZVVSDCNNNARG-XUWVNRHRSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)CCCC[NH3+])c1 ZINC000423022836 383016795 /nfs/dbraw/zinc/01/67/95/383016795.db2.gz GBAZIHCSDLECOQ-AWEZNQCLSA-N 2 0 263.429 2.986 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799906 382980433 /nfs/dbraw/zinc/98/04/33/382980433.db2.gz AGZVVSDCNNNARG-YHUYYLMFSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000422801991 382980461 /nfs/dbraw/zinc/98/04/61/382980461.db2.gz GLWBGVCLTBOWRB-DOTOQJQBSA-N 2 0 281.488 2.619 20 0 CFADRP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422804532 382981008 /nfs/dbraw/zinc/98/10/08/382981008.db2.gz FJJWUGQDGFWRNT-MSOLQXFVSA-N 2 0 281.403 2.857 20 0 CFADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc21 ZINC000422797176 382981253 /nfs/dbraw/zinc/98/12/53/382981253.db2.gz LHWJNEZWVHRSJD-ATZDWAIDSA-N 2 0 299.462 2.985 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](C)CCC[NH3+])C1CCCC1 ZINC000422833618 382982630 /nfs/dbraw/zinc/98/26/30/382982630.db2.gz ZBBPJOVSWSXPDG-DZGCQCFKSA-N 2 0 256.434 2.689 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)CC1(O)CCCCCC1 ZINC000338302679 382983207 /nfs/dbraw/zinc/98/32/07/382983207.db2.gz SDXKCRHAORHBDB-UHFFFAOYSA-N 2 0 270.461 2.735 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422850865 382983341 /nfs/dbraw/zinc/98/33/41/382983341.db2.gz OHXHDRHBGSUTRD-UMNHJUIQSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422861846 382984268 /nfs/dbraw/zinc/98/42/68/382984268.db2.gz NADGEKPMUYVGDP-UYTYNIKBSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000422874977 382985493 /nfs/dbraw/zinc/98/54/93/382985493.db2.gz OJMLRUYFBZIULU-DZJNRPSUSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N(C)c1ccccc1 ZINC000422871119 382985810 /nfs/dbraw/zinc/98/58/10/382985810.db2.gz ZVCTWUFOZUBNEQ-DJIMGWMZSA-N 2 0 275.440 2.761 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422873478 382986047 /nfs/dbraw/zinc/98/60/47/382986047.db2.gz ANDBFAQHMCIQKC-XWTMOSNGSA-N 3 0 295.515 2.722 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422913991 382988378 /nfs/dbraw/zinc/98/83/78/382988378.db2.gz ZPHAZZZICUDMBM-DJIMGWMZSA-N 2 0 258.409 2.966 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCCC2)c2ccccc21 ZINC000423023558 383017320 /nfs/dbraw/zinc/01/73/20/383017320.db2.gz JYZXMDUCZIGOAD-XKQJLSEDSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422965840 382990057 /nfs/dbraw/zinc/99/00/57/382990057.db2.gz MCDDYGKTVSHQJT-GTPINHCMSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccc1O ZINC000422974218 382991142 /nfs/dbraw/zinc/99/11/42/382991142.db2.gz QNQZHTFPMYQRKQ-GOEBONIOSA-N 2 0 276.424 2.835 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000422976812 382992643 /nfs/dbraw/zinc/99/26/43/382992643.db2.gz DWWGFTCESCTJAU-UONOGXRCSA-N 2 0 299.418 2.967 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422979299 382993697 /nfs/dbraw/zinc/99/36/97/382993697.db2.gz JBDBBNRTSGNMKQ-IAGOWNOFSA-N 2 0 258.409 2.651 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422985860 382996487 /nfs/dbraw/zinc/99/64/87/382996487.db2.gz AQMBPCRSZLBYJM-NVXWUHKLSA-N 2 0 276.424 2.735 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422986877 382997398 /nfs/dbraw/zinc/99/73/98/382997398.db2.gz DOKCAKMUDQFZQT-WMLDXEAASA-N 2 0 298.434 2.658 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000422987717 382997473 /nfs/dbraw/zinc/99/74/73/382997473.db2.gz IXOUCQYMTPLWLP-CCRGXQTGSA-N 2 0 288.435 2.871 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000422994203 383001823 /nfs/dbraw/zinc/00/18/23/383001823.db2.gz UWLAGEDIDVUGQF-FOIPXRHGSA-N 2 0 288.435 2.984 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000422996768 383003380 /nfs/dbraw/zinc/00/33/80/383003380.db2.gz UJBJMDBZLPBKKI-BGTYHANMSA-N 2 0 290.451 2.738 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2n1 ZINC000423003082 383006070 /nfs/dbraw/zinc/00/60/70/383006070.db2.gz GVTDPWMXWKUHQY-BBRMVZONSA-N 2 0 299.418 2.721 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000423004513 383007216 /nfs/dbraw/zinc/00/72/16/383007216.db2.gz PHOIQDFYAIWBMH-ZDUSSCGKSA-N 2 0 264.413 2.690 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423012776 383009868 /nfs/dbraw/zinc/00/98/68/383009868.db2.gz LJGMOJLVDOPMGW-HDMKZQKVSA-N 2 0 290.451 2.994 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000549526899 383010036 /nfs/dbraw/zinc/01/00/36/383010036.db2.gz YNEYZYJGEMSHKY-AEFFLSMTSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000579461900 383018483 /nfs/dbraw/zinc/01/84/83/383018483.db2.gz HVHIBGRAVDQVCK-GTFHMKOESA-N 2 0 286.419 2.875 20 0 CFADRP C[C@H]([NH2+]CCC1Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000423014463 383011567 /nfs/dbraw/zinc/01/15/67/383011567.db2.gz PDQDCBLIXLXPDR-KBXCAEBGSA-N 2 0 272.436 2.912 20 0 CFADRP CSCc1cnc(CNC[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000549726406 383013738 /nfs/dbraw/zinc/01/37/38/383013738.db2.gz MZELIXZQLKSPKM-GFCCVEGCSA-N 2 0 299.509 2.826 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000423017782 383014375 /nfs/dbraw/zinc/01/43/75/383014375.db2.gz PNWWENMBHFOZCH-DLBZAZTESA-N 2 0 272.436 2.899 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000578906638 382966113 /nfs/dbraw/zinc/96/61/13/382966113.db2.gz QGIHCOPPIMMQGY-KWCYVHTRSA-N 2 0 282.815 2.967 20 0 CFADRP C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@H]1CCC[NH2+]1 ZINC000423047306 383029743 /nfs/dbraw/zinc/02/97/43/383029743.db2.gz GCLWSEZKLYETSI-MLGOLLRUSA-N 2 0 289.398 2.590 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000579567788 383029924 /nfs/dbraw/zinc/02/99/24/383029924.db2.gz GZCMNBNRTPJMQJ-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423049729 383031084 /nfs/dbraw/zinc/03/10/84/383031084.db2.gz KOSZAJLOXRHJBX-VNHYZAJKSA-N 2 0 276.424 2.831 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000423054484 383033316 /nfs/dbraw/zinc/03/33/16/383033316.db2.gz UQVOZRZSYJOWBB-WISYIIOYSA-N 2 0 264.335 2.695 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000423054769 383033452 /nfs/dbraw/zinc/03/34/52/383033452.db2.gz VCLYIPGSSGVVMS-BDAKNGLRSA-N 2 0 275.318 2.698 20 0 CFADRP C1CC1[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423056898 383034774 /nfs/dbraw/zinc/03/47/74/383034774.db2.gz YZWOCWIZIYFDOQ-JCECYMMASA-N 2 0 292.467 2.844 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000338747296 383037155 /nfs/dbraw/zinc/03/71/55/383037155.db2.gz UASCLDGDWZJWOS-OAHLLOKOSA-N 2 0 279.815 2.966 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423061922 383037358 /nfs/dbraw/zinc/03/73/58/383037358.db2.gz RZQCFGSXHINYSE-GJZGRUSLSA-N 2 0 264.438 2.767 20 0 CFADRP CCOC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000423067643 383039618 /nfs/dbraw/zinc/03/96/18/383039618.db2.gz HPONXYMJKGAXLC-CZUORRHYSA-N 2 0 279.428 2.560 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C)CCC(C)CC1 ZINC000423081052 383041106 /nfs/dbraw/zinc/04/11/06/383041106.db2.gz AXAASHJSKFPLBD-SHARSMKWSA-N 2 0 256.434 2.546 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@H]2CCCO[C@H]21 ZINC000245863987 383041611 /nfs/dbraw/zinc/04/16/11/383041611.db2.gz IGEBQSHDZLBVLO-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423079416 383041694 /nfs/dbraw/zinc/04/16/94/383041694.db2.gz AANWAOMBSKCCEJ-WBVHZDCISA-N 3 0 293.499 2.761 20 0 CFADRP C1C(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423103662 383042874 /nfs/dbraw/zinc/04/28/74/383042874.db2.gz XTGQXAQXKLPSJO-NUUXYWTLSA-N 2 0 291.483 2.514 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000423110376 383042984 /nfs/dbraw/zinc/04/29/84/383042984.db2.gz HSOBXCCMBIUJBS-LERXQTSPSA-N 2 0 299.365 2.660 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134865 383043682 /nfs/dbraw/zinc/04/36/82/383043682.db2.gz MPZLVKXMGBSPTD-ZWKOTPCHSA-N 3 0 287.451 2.987 20 0 CFADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423122391 383044100 /nfs/dbraw/zinc/04/41/00/383044100.db2.gz KNZKHGUHUBXJCV-QSPRXWTASA-N 2 0 286.419 2.673 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423147413 383045448 /nfs/dbraw/zinc/04/54/48/383045448.db2.gz RXQAAXGPKZYUAD-ZIBATOQPSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000423166729 383046447 /nfs/dbraw/zinc/04/64/47/383046447.db2.gz WAQJEWKZVYTRQZ-HIFRSBDPSA-N 2 0 261.413 2.675 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000423171235 383047467 /nfs/dbraw/zinc/04/74/67/383047467.db2.gz NRPNZWUBMPJUOL-FZKCQIBNSA-N 2 0 250.430 2.920 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000423172752 383047670 /nfs/dbraw/zinc/04/76/70/383047670.db2.gz VAVOOXIPTLPOOT-JJXSEGSLSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[NH3+])c2cccc(Br)c21 ZINC000423177196 383047880 /nfs/dbraw/zinc/04/78/80/383047880.db2.gz IIEPMDVZRFOURU-SKDRFNHKSA-N 2 0 283.213 2.936 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423180863 383047998 /nfs/dbraw/zinc/04/79/98/383047998.db2.gz KPQCXTRITSSWNU-DNDXXGFKSA-N 2 0 274.408 2.926 20 0 CFADRP CC(C)CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000338778374 383048029 /nfs/dbraw/zinc/04/80/29/383048029.db2.gz QEDZWMLHOYNFGJ-AEFFLSMTSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000338778377 383048273 /nfs/dbraw/zinc/04/82/73/383048273.db2.gz QEDZWMLHOYNFGJ-WMZOPIPTSA-N 2 0 295.515 2.817 20 0 CFADRP C(C[NH2+]C1CCC2(CCCCC2)CC1)CN1CC[NH2+]CC1 ZINC000423190146 383048499 /nfs/dbraw/zinc/04/84/99/383048499.db2.gz RVCCVZAOSLXGQI-UHFFFAOYSA-N 2 0 293.499 2.764 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C2CC[NH2+]CC2)C(C)C)cc1 ZINC000423193500 383049189 /nfs/dbraw/zinc/04/91/89/383049189.db2.gz WPQSWWDSEWALCR-QGZVFWFLSA-N 2 0 260.425 2.904 20 0 CFADRP c1cncc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423213778 383050458 /nfs/dbraw/zinc/05/04/58/383050458.db2.gz OAMOALZFGQFQHE-CZUORRHYSA-N 2 0 259.397 2.512 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214959 383050682 /nfs/dbraw/zinc/05/06/82/383050682.db2.gz PWGFORSIVNPAFB-BBRMVZONSA-N 2 0 276.449 2.606 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423242066 383053070 /nfs/dbraw/zinc/05/30/70/383053070.db2.gz YGSILNGZSKWIGR-HOJRLLLISA-N 2 0 262.397 2.622 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423256869 383053093 /nfs/dbraw/zinc/05/30/93/383053093.db2.gz GKTFRZOQWBCIHT-QLFBSQMISA-N 2 0 268.445 2.558 20 0 CFADRP Cc1nc(C)c([C@@H](C)N[C@H](C[NH3+])CC(C)C)s1 ZINC000423262008 383053757 /nfs/dbraw/zinc/05/37/57/383053757.db2.gz LJFNCUNBGZDTRF-PWSUYJOCSA-N 2 0 255.431 2.784 20 0 CFADRP C[C@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000423392676 383079346 /nfs/dbraw/zinc/07/93/46/383079346.db2.gz LPQZINZYCVSJNM-VHSSKADRSA-N 2 0 283.419 2.570 20 0 CFADRP C[C@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000423392675 383079417 /nfs/dbraw/zinc/07/94/17/383079417.db2.gz LPQZINZYCVSJNM-MORSLUCNSA-N 2 0 283.419 2.570 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423301174 383056949 /nfs/dbraw/zinc/05/69/49/383056949.db2.gz SQPVGWZOVVOVSA-QWRGUYRKSA-N 2 0 290.329 2.873 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000423288519 383057169 /nfs/dbraw/zinc/05/71/69/383057169.db2.gz SNOCASATCWBKRS-KGLIPLIRSA-N 2 0 261.413 2.743 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423324382 383058220 /nfs/dbraw/zinc/05/82/20/383058220.db2.gz PGMXVFXNRFTKAS-SJORKVTESA-N 2 0 260.425 2.889 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C12CCCC2 ZINC000423334769 383058263 /nfs/dbraw/zinc/05/82/63/383058263.db2.gz REFBABFKFLVWTI-CABCVRRESA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000246030368 383059387 /nfs/dbraw/zinc/05/93/87/383059387.db2.gz NMFVINBUYIZBEF-HOCLYGCPSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423347674 383060169 /nfs/dbraw/zinc/06/01/69/383060169.db2.gz RQOPFTOLONXFQU-SQWLQELKSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353968 383061257 /nfs/dbraw/zinc/06/12/57/383061257.db2.gz CIMYCHREHPXSJC-OFQRWUPVSA-N 2 0 276.424 2.919 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423359050 383062105 /nfs/dbraw/zinc/06/21/05/383062105.db2.gz JXSKHGPFDALHII-ZBFHGGJFSA-N 2 0 274.408 2.940 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423361609 383063366 /nfs/dbraw/zinc/06/33/66/383063366.db2.gz XGVOBTXUQNLXFK-SJORKVTESA-N 2 0 285.435 2.926 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423359427 383063433 /nfs/dbraw/zinc/06/34/33/383063433.db2.gz PFECLUTWBZWJRJ-DOMZBBRYSA-N 2 0 278.371 2.553 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423361604 383064018 /nfs/dbraw/zinc/06/40/18/383064018.db2.gz XGVOBTXUQNLXFK-DLBZAZTESA-N 2 0 285.435 2.926 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423363691 383064755 /nfs/dbraw/zinc/06/47/55/383064755.db2.gz ASXWBNWOYPSAER-QEORTHHSSA-N 2 0 274.408 2.803 20 0 CFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)s1 ZINC000579908848 383064876 /nfs/dbraw/zinc/06/48/76/383064876.db2.gz SDTDULUEFPNOBN-CYBMUJFWSA-N 2 0 296.480 2.955 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000423367355 383065750 /nfs/dbraw/zinc/06/57/50/383065750.db2.gz AFJRRAHXMCRJAT-GFJIZPEISA-N 2 0 256.459 2.638 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423371371 383068498 /nfs/dbraw/zinc/06/84/98/383068498.db2.gz VDRDFSRKXANYNR-ZBFHGGJFSA-N 2 0 262.372 2.935 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370361 383068910 /nfs/dbraw/zinc/06/89/10/383068910.db2.gz FTDNNMDPZCFFBT-RDJZCZTQSA-N 2 0 274.408 2.585 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000423382146 383074669 /nfs/dbraw/zinc/07/46/69/383074669.db2.gz DGNMQUSULBAFHI-WBAXXEDZSA-N 2 0 272.436 2.904 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423394259 383080775 /nfs/dbraw/zinc/08/07/75/383080775.db2.gz RWMNPWAUEWZGOQ-BQGCOEIASA-N 2 0 276.424 2.775 20 0 CFADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)c(C)s1 ZINC000070187458 412969014 /nfs/dbraw/zinc/96/90/14/412969014.db2.gz ZPQPPTUMRLGQQC-UHFFFAOYSA-N 2 0 252.427 2.926 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000423031568 383021097 /nfs/dbraw/zinc/02/10/97/383021097.db2.gz XDBKCKYBDIUKKC-BPUTZDHNSA-N 2 0 282.472 2.935 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)c2ccccc21 ZINC000423031937 383021154 /nfs/dbraw/zinc/02/11/54/383021154.db2.gz LTIKXYAZINUSNP-ATZDWAIDSA-N 2 0 296.414 2.715 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000423032215 383021255 /nfs/dbraw/zinc/02/12/55/383021255.db2.gz FBVOHAZWXFVNLS-GHMZBOCLSA-N 2 0 255.431 2.662 20 0 CFADRP CO[C@H](C[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000338549205 383021720 /nfs/dbraw/zinc/02/17/20/383021720.db2.gz NUHINEXESBHDHT-QGZVFWFLSA-N 2 0 276.424 2.648 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423033106 383022260 /nfs/dbraw/zinc/02/22/60/383022260.db2.gz WPXUACMUCMTXIM-DOTOQJQBSA-N 2 0 275.440 2.986 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423035061 383022597 /nfs/dbraw/zinc/02/25/97/383022597.db2.gz YLHSYPAJGVVPLL-HUBLWGQQSA-N 2 0 268.376 2.619 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H](C)CCC[NH3+])CCC1 ZINC000423034801 383022754 /nfs/dbraw/zinc/02/27/54/383022754.db2.gz IJZAXOZNHMCXIC-CQSZACIVSA-N 2 0 276.424 2.834 20 0 CFADRP CCc1nccn1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245693364 383023375 /nfs/dbraw/zinc/02/33/75/383023375.db2.gz WMATXWACXNFMDQ-CVEARBPZSA-N 3 0 290.455 2.567 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000423037287 383023831 /nfs/dbraw/zinc/02/38/31/383023831.db2.gz MOTMBHZTNFPOKU-DXEWXGHRSA-N 2 0 292.398 2.776 20 0 CFADRP Cc1ncc(C[NH2+]CCc2ccc3ccccc3n2)n1C ZINC000579495939 383023840 /nfs/dbraw/zinc/02/38/40/383023840.db2.gz RRUCXHWUWNKIGY-UHFFFAOYSA-N 2 0 280.375 2.609 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000423039197 383024736 /nfs/dbraw/zinc/02/47/36/383024736.db2.gz DWBGZKCQFCUPJS-KLHDSHLOSA-N 2 0 268.445 2.558 20 0 CFADRP CC[C@@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423040195 383024807 /nfs/dbraw/zinc/02/48/07/383024807.db2.gz SMEVWTUWDNOPRW-GKDVJIACSA-N 2 0 250.308 2.590 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423040723 383026201 /nfs/dbraw/zinc/02/62/01/383026201.db2.gz UXFNNZAOSKRPHK-ZNMIVQPWSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)c(F)c(F)c1 ZINC000423493722 383119938 /nfs/dbraw/zinc/11/99/38/383119938.db2.gz QWMSWSHCAXHWCS-ATZCPNFKSA-N 2 0 272.314 2.882 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C[C@@H]1c1ccccc1 ZINC000423492734 383120330 /nfs/dbraw/zinc/12/03/30/383120330.db2.gz OLVUSICEIBDITR-BRWVUGGUSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)c(F)c(F)c1 ZINC000423493723 383120456 /nfs/dbraw/zinc/12/04/56/383120456.db2.gz QWMSWSHCAXHWCS-IQJOONFLSA-N 2 0 272.314 2.882 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000423496026 383121687 /nfs/dbraw/zinc/12/16/87/383121687.db2.gz VVRJOXZPTGLOLR-OIISXLGYSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cc2n(n1)CCC2 ZINC000423499901 383122916 /nfs/dbraw/zinc/12/29/16/383122916.db2.gz BQARYDQQQJICBN-PBHICJAKSA-N 2 0 298.434 2.960 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CCCO1 ZINC000423500988 383124194 /nfs/dbraw/zinc/12/41/94/383124194.db2.gz CKAXJSBXLLUILX-NUEKZKHPSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1N(C)C ZINC000423505469 383125552 /nfs/dbraw/zinc/12/55/52/383125552.db2.gz LOUUDBQNDRQAKM-IHRRRGAJSA-N 2 0 261.413 2.531 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000423542371 383126684 /nfs/dbraw/zinc/12/66/84/383126684.db2.gz GHKUWMARYUVNCF-ROKHWSDSSA-N 2 0 268.470 2.627 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423549479 383127163 /nfs/dbraw/zinc/12/71/63/383127163.db2.gz SDRGADXBXIXRRP-QCEMKRCNSA-N 2 0 273.424 2.683 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)[C@@H]1CCC[NH2+]1 ZINC000423548866 383127835 /nfs/dbraw/zinc/12/78/35/383127835.db2.gz MZLSOALDSHDQKI-MJBXVCDLSA-N 2 0 268.470 2.640 20 0 CFADRP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000554444879 383135214 /nfs/dbraw/zinc/13/52/14/383135214.db2.gz YWEBCIMMLOLRJS-SJLPKXTDSA-N 2 0 294.483 2.902 20 0 CFADRP COCc1ccc(CN2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000339062264 383136258 /nfs/dbraw/zinc/13/62/58/383136258.db2.gz YMAYSBFAQHMKLL-UHFFFAOYSA-N 2 0 288.435 2.893 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000247091686 383141258 /nfs/dbraw/zinc/14/12/58/383141258.db2.gz PLXKWIUAVGBSAO-FZKCQIBNSA-N 2 0 282.472 2.758 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC000247085365 383141810 /nfs/dbraw/zinc/14/18/10/383141810.db2.gz REZHTBNGDBIIQM-ZFWWWQNUSA-N 2 0 262.397 2.576 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000554552901 383141794 /nfs/dbraw/zinc/14/17/94/383141794.db2.gz XXCWNTDWESKXNI-CQSZACIVSA-N 2 0 276.424 2.689 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423396382 383081162 /nfs/dbraw/zinc/08/11/62/383081162.db2.gz UATDGQQEOILXAS-KCQAQPDRSA-N 2 0 262.397 2.876 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000423399755 383083300 /nfs/dbraw/zinc/08/33/00/383083300.db2.gz UYHWNHJQRGATDB-GARJFASQSA-N 2 0 254.324 2.885 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1(CC)CC ZINC000423403629 383084304 /nfs/dbraw/zinc/08/43/04/383084304.db2.gz YRULKXTULZFLPO-ZQDZILKHSA-N 2 0 268.445 2.700 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1(CC)CC ZINC000423403627 383084408 /nfs/dbraw/zinc/08/44/08/383084408.db2.gz YRULKXTULZFLPO-CBBWQLFWSA-N 2 0 268.445 2.700 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C2CC2)c1 ZINC000423402844 383084581 /nfs/dbraw/zinc/08/45/81/383084581.db2.gz WSGQMKCSRFDJTL-BQFCYCMXSA-N 2 0 288.435 2.876 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000423407248 383086448 /nfs/dbraw/zinc/08/64/48/383086448.db2.gz ZPABOKHTMUQABR-ZACQAIPSSA-N 2 0 258.409 2.867 20 0 CFADRP COCC1(C[NH2+][C@H]2c3ccccc3C[C@H]2C)CC[NH2+]CC1 ZINC000423407710 383086805 /nfs/dbraw/zinc/08/68/05/383086805.db2.gz MZZCLQWJKOLNCU-RHSMWYFYSA-N 2 0 288.435 2.526 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCCCC23CCCC3)CCC[NH2+]1 ZINC000423408313 383087050 /nfs/dbraw/zinc/08/70/50/383087050.db2.gz ABXUANFIOBKLCQ-DOTOQJQBSA-N 2 0 280.456 2.848 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](CCC(C)C)C2CC2)CCC[NH2+]1 ZINC000423418598 383089924 /nfs/dbraw/zinc/08/99/24/383089924.db2.gz UYSSASUPQQLISJ-JKSUJKDBSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000423422580 383091199 /nfs/dbraw/zinc/09/11/99/383091199.db2.gz BLESCTHWWKSVDN-UYHISHBKSA-N 2 0 286.419 2.756 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423426486 383091704 /nfs/dbraw/zinc/09/17/04/383091704.db2.gz FEWNXTMRRFYUSC-NWANDNLSSA-N 2 0 291.464 2.807 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cn1 ZINC000423426374 383091764 /nfs/dbraw/zinc/09/17/64/383091764.db2.gz HRZIVIFXPRKYQY-AAEUAGOBSA-N 2 0 253.365 2.779 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423425358 383091899 /nfs/dbraw/zinc/09/18/99/383091899.db2.gz DNABZCAUOAAGDZ-JJXSEGSLSA-N 2 0 280.456 2.556 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CC1(C)C ZINC000423428885 383092829 /nfs/dbraw/zinc/09/28/29/383092829.db2.gz JQUYZVWOJXELLM-ZQDZILKHSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423429737 383092868 /nfs/dbraw/zinc/09/28/68/383092868.db2.gz KKSXOEVRGXQSMN-SWLSCSKDSA-N 2 0 290.386 2.745 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000423430282 383093430 /nfs/dbraw/zinc/09/34/30/383093430.db2.gz KWALGDAERXYEMM-RYUDHWBXSA-N 2 0 299.484 2.809 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423432327 383094155 /nfs/dbraw/zinc/09/41/55/383094155.db2.gz BDBXVCLJLNWLAV-CYBMUJFWSA-N 2 0 261.413 2.652 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423433576 383094910 /nfs/dbraw/zinc/09/49/10/383094910.db2.gz KAKFOLFUQJMQAL-IUODEOHRSA-N 2 0 291.439 2.978 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423441492 383096859 /nfs/dbraw/zinc/09/68/59/383096859.db2.gz PEQPORWSFPVUNQ-GVDBMIGSSA-N 2 0 256.393 2.652 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000423441959 383096884 /nfs/dbraw/zinc/09/68/84/383096884.db2.gz BLOSMNAQLBJMLU-HOTGVXAUSA-N 2 0 264.413 2.555 20 0 CFADRP CC[C@@H]([NH3+])CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423442388 383098192 /nfs/dbraw/zinc/09/81/92/383098192.db2.gz BRAZDEITJZKRPX-CQSZACIVSA-N 2 0 283.504 2.993 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1Cl ZINC000423443572 383098414 /nfs/dbraw/zinc/09/84/14/383098414.db2.gz VWSOOTLIJIOIJD-GHMZBOCLSA-N 2 0 285.819 2.912 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423444754 383098633 /nfs/dbraw/zinc/09/86/33/383098633.db2.gz XFGUUEIBEGSLDB-IAQYHMDHSA-N 2 0 265.376 2.779 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000584405503 383099770 /nfs/dbraw/zinc/09/97/70/383099770.db2.gz LMIYNZVCHKNSPV-SFHVURJKSA-N 2 0 290.451 2.779 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1OC ZINC000423450307 383100002 /nfs/dbraw/zinc/10/00/02/383100002.db2.gz HGHQGKLTOGXVNB-QWHCGFSZSA-N 2 0 294.439 2.660 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(OC)c1 ZINC000423448666 383100071 /nfs/dbraw/zinc/10/00/71/383100071.db2.gz FKKLHKVCERRRBC-DOMZBBRYSA-N 2 0 250.386 2.863 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449909 383100113 /nfs/dbraw/zinc/10/01/13/383100113.db2.gz WXOOQRHJWFIFFZ-BVPBIZIASA-N 2 0 288.435 2.740 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000423448184 383100127 /nfs/dbraw/zinc/10/01/27/383100127.db2.gz URQQZTFLLGFJHE-DDTOSNHZSA-N 2 0 250.411 2.787 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423450472 383100801 /nfs/dbraw/zinc/10/08/01/383100801.db2.gz TTXRGHKZEZMEFR-JKSUJKDBSA-N 2 0 273.424 2.652 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1F ZINC000423452007 383101082 /nfs/dbraw/zinc/10/10/82/383101082.db2.gz JGVCUIGWLIXLTI-ZWNOBZJWSA-N 2 0 288.794 2.884 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423455261 383102171 /nfs/dbraw/zinc/10/21/71/383102171.db2.gz CDINBQYGNLFBKS-WWDZGPRUSA-N 3 0 289.467 2.757 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ncc(Br)s1 ZINC000423462884 383105423 /nfs/dbraw/zinc/10/54/23/383105423.db2.gz UTMQJSMGKSNOHS-JGVFFNPUSA-N 2 0 292.246 2.684 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423473258 383109579 /nfs/dbraw/zinc/10/95/79/383109579.db2.gz GMRRIUAASZXLKG-UONOGXRCSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423475709 383110997 /nfs/dbraw/zinc/11/09/97/383110997.db2.gz RWTQIGQKXGFQGH-QEJZJMRPSA-N 2 0 262.397 2.559 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C[C@@H]1CCC[NH2+]1 ZINC000423481918 383113587 /nfs/dbraw/zinc/11/35/87/383113587.db2.gz ORSFQEPWHFXTLA-LTIDMASMSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000246861311 383113582 /nfs/dbraw/zinc/11/35/82/383113582.db2.gz CALVZAVOFOAVQR-SZMVWBNQSA-N 2 0 289.467 2.670 20 0 CFADRP COC1(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000339000351 383113679 /nfs/dbraw/zinc/11/36/79/383113679.db2.gz KWRADRHDLOQQPF-INIZCTEOSA-N 2 0 280.456 2.896 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(Cl)cc1 ZINC000423482690 383114495 /nfs/dbraw/zinc/11/44/95/383114495.db2.gz RUQPAQFWNMYNIQ-HOTGVXAUSA-N 2 0 295.858 2.674 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)CC[C@H]21 ZINC000246887275 383117385 /nfs/dbraw/zinc/11/73/85/383117385.db2.gz VDILXWLNYVGOGW-RHSMWYFYSA-N 2 0 294.389 2.923 20 0 CFADRP c1csc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)c1 ZINC000423488131 383117812 /nfs/dbraw/zinc/11/78/12/383117812.db2.gz DLRWDFQGMBFVRN-GOEBONIOSA-N 2 0 294.464 2.948 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423492007 383118738 /nfs/dbraw/zinc/11/87/38/383118738.db2.gz LDBGGEYHJFPWTF-LZWOXQAQSA-N 2 0 284.407 2.650 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491329 383118872 /nfs/dbraw/zinc/11/88/72/383118872.db2.gz ZANDPQDWMMVJBW-WFASDCNBSA-N 2 0 292.398 2.943 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000423492084 383118939 /nfs/dbraw/zinc/11/89/39/383118939.db2.gz LOCSVHJZLDWBLF-MBNYWOFBSA-N 2 0 262.422 2.941 20 0 CFADRP CN(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248125108 383212379 /nfs/dbraw/zinc/21/23/79/383212379.db2.gz NUOWLJBGOQCOFN-SJLPKXTDSA-N 2 0 287.451 2.539 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000449104895 383176922 /nfs/dbraw/zinc/17/69/22/383176922.db2.gz GUCMENPZPBGSKP-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000449103590 383177592 /nfs/dbraw/zinc/17/75/92/383177592.db2.gz QXFYMRRAGGWQIS-PMPSAXMXSA-N 2 0 294.439 2.690 20 0 CFADRP Cc1nocc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339185784 383181306 /nfs/dbraw/zinc/18/13/06/383181306.db2.gz ZCOGPVPJTMDJDD-ZIAGYGMSSA-N 2 0 279.428 2.831 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)O1 ZINC000449178331 383182480 /nfs/dbraw/zinc/18/24/80/383182480.db2.gz SHHLMTLFYIVENH-CKEIUWERSA-N 2 0 280.456 2.939 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H](N3CCCC3)[C@@H]2C)CCC1 ZINC000339197043 383183416 /nfs/dbraw/zinc/18/34/16/383183416.db2.gz FBOGTNPUXCKFIJ-GJZGRUSLSA-N 2 0 266.429 2.504 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccncc2C)CC1 ZINC000517500118 383183565 /nfs/dbraw/zinc/18/35/65/383183565.db2.gz BCPOZGUEQCUWEH-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCF)C1 ZINC000248128314 383213398 /nfs/dbraw/zinc/21/33/98/383213398.db2.gz OELPQHIMNGOQRY-CABCVRRESA-N 2 0 256.409 2.932 20 0 CFADRP C[NH+](C)C(C)(C)CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144789 383189230 /nfs/dbraw/zinc/18/92/30/383189230.db2.gz YBXHVIUBCMLATH-HNNXBMFYSA-N 2 0 297.487 2.521 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(CCOc3ccc(F)cc3)C2)C1 ZINC000339437491 383197089 /nfs/dbraw/zinc/19/70/89/383197089.db2.gz KNRHXWWAPVPMDG-KRWDZBQOSA-N 2 0 292.398 2.622 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3[NH3+])CC2)C1 ZINC000424362717 383205279 /nfs/dbraw/zinc/20/52/79/383205279.db2.gz ASKCCFIKWPHUQI-VDHUWJSZSA-N 2 0 293.499 2.889 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000248021300 383207583 /nfs/dbraw/zinc/20/75/83/383207583.db2.gz NWEMYBDMLSZPKB-DLBZAZTESA-N 2 0 289.467 2.975 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC000248052100 383208882 /nfs/dbraw/zinc/20/88/82/383208882.db2.gz WPCOGHOJMIJEFJ-GXTWGEPZSA-N 2 0 252.427 2.611 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000247182493 383150742 /nfs/dbraw/zinc/15/07/42/383150742.db2.gz ZGIAATIFXCOJMJ-HRCADAONSA-N 2 0 293.455 2.735 20 0 CFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H](C)C1 ZINC000247203111 383151848 /nfs/dbraw/zinc/15/18/48/383151848.db2.gz VFJQSVBFYRWSBM-MAUKXSAKSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)C1CCCC1 ZINC000449079914 383165501 /nfs/dbraw/zinc/16/55/01/383165501.db2.gz RAFCCUMSMRQIFB-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](C[NH+]1CCC(CC[NH3+])CC1)c1ccc(F)cc1 ZINC000516654091 383166369 /nfs/dbraw/zinc/16/63/69/383166369.db2.gz GEJDOYKSHJEWAH-CYBMUJFWSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000449082517 383166591 /nfs/dbraw/zinc/16/65/91/383166591.db2.gz NTTSLJGBUGLULW-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000449081826 383166692 /nfs/dbraw/zinc/16/66/92/383166692.db2.gz IGFFEUULFPOMOW-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)O1 ZINC000449083872 383168298 /nfs/dbraw/zinc/16/82/98/383168298.db2.gz VTYLDKNRQGIZTN-BQJWPVKWSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC(C)(F)F ZINC000423146486 532975358 /nfs/dbraw/zinc/97/53/58/532975358.db2.gz PNCSRXATGRXCHR-TZMCWYRMSA-N 2 0 270.367 2.970 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449383568 383252515 /nfs/dbraw/zinc/25/25/15/383252515.db2.gz IIUSMTNYJIBZRU-OKZBNKHCSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1cc(C[N@@H+](C)CCCc2cncn2C)ccc1F ZINC000520424010 383255354 /nfs/dbraw/zinc/25/53/54/383255354.db2.gz USLBLTNJBWEAHQ-UHFFFAOYSA-N 2 0 275.371 2.932 20 0 CFADRP C[C@H]1CC[N@H+](CCCc2cncn2C)CC12CCC2 ZINC000520603827 383265618 /nfs/dbraw/zinc/26/56/18/383265618.db2.gz CEKHZZXEPKIHKO-AWEZNQCLSA-N 2 0 261.413 2.865 20 0 CFADRP CC1=CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000520625732 383267982 /nfs/dbraw/zinc/26/79/82/383267982.db2.gz ATCXCGGRAJBJRT-CVEARBPZSA-N 2 0 278.440 2.576 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000567373290 383269782 /nfs/dbraw/zinc/26/97/82/383269782.db2.gz FKDQSDSTOQHEFC-QZTJIDSGSA-N 2 0 291.483 2.587 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccsc1 ZINC000422802821 532976046 /nfs/dbraw/zinc/97/60/46/532976046.db2.gz DZKWHCULXRJODE-CZUORRHYSA-N 2 0 274.433 2.839 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(F)c1 ZINC000248166061 383217090 /nfs/dbraw/zinc/21/70/90/383217090.db2.gz SZSGAMISKVPBHO-PBHICJAKSA-N 2 0 294.414 2.713 20 0 CFADRP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248168996 383217137 /nfs/dbraw/zinc/21/71/37/383217137.db2.gz UIOVCFPOCCHTFD-DLBZAZTESA-N 2 0 288.435 2.790 20 0 CFADRP c1[nH]nc2c1cccc2C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339498113 383217610 /nfs/dbraw/zinc/21/76/10/383217610.db2.gz PGUVCVAYUNRHRK-UHFFFAOYSA-N 2 0 286.423 2.919 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000566854552 383218048 /nfs/dbraw/zinc/21/80/48/383218048.db2.gz YERPDDHLHLQBEP-UHFFFAOYSA-N 2 0 297.402 2.720 20 0 CFADRP COCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248184193 383218437 /nfs/dbraw/zinc/21/84/37/383218437.db2.gz XAMAUTYRWFFSBY-ROUUACIJSA-N 2 0 288.435 2.619 20 0 CFADRP COC1(C[NH2+]CCCCC[NH+]2CCCC2)CCCC1 ZINC000339500678 383218782 /nfs/dbraw/zinc/21/87/82/383218782.db2.gz SDQABISCYVVBPJ-UHFFFAOYSA-N 2 0 268.445 2.801 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3cccnc3o2)C1 ZINC000449327877 383220050 /nfs/dbraw/zinc/22/00/50/383220050.db2.gz DGUVEOQUPMWZPL-HOCLYGCPSA-N 2 0 285.391 2.744 20 0 CFADRP COc1cc(C)ccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000449334695 383224074 /nfs/dbraw/zinc/22/40/74/383224074.db2.gz XRRLGOMNSVBDAF-WBVHZDCISA-N 2 0 288.435 2.920 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449338965 383226051 /nfs/dbraw/zinc/22/60/51/383226051.db2.gz TUMIKDASSZVXCI-HOTGVXAUSA-N 2 0 297.487 2.522 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000519595435 383228746 /nfs/dbraw/zinc/22/87/46/383228746.db2.gz FMTUVBHEGILRNH-OLZOCXBDSA-N 2 0 250.386 2.691 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248428130 383241390 /nfs/dbraw/zinc/24/13/90/383241390.db2.gz ANBADVOVNAMNGD-CJNGLKHVSA-N 2 0 292.398 2.971 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)[NH+]1CCCC1 ZINC000249159472 383332773 /nfs/dbraw/zinc/33/27/73/383332773.db2.gz YFDPFYNGEOMFMB-PVAVHDDUSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000634732326 383334080 /nfs/dbraw/zinc/33/40/80/383334080.db2.gz CWWBOQXBHQLBJL-MRXNPFEDSA-N 2 0 298.434 2.945 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000634733089 383335654 /nfs/dbraw/zinc/33/56/54/383335654.db2.gz WZHKUYVNPFLVHO-KFWWJZLASA-N 2 0 268.445 2.558 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CC2CC2)C1 ZINC000339675067 383282807 /nfs/dbraw/zinc/28/28/07/383282807.db2.gz BYQVYSAKBKMVNQ-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000567515902 383283412 /nfs/dbraw/zinc/28/34/12/383283412.db2.gz IWOCCSUAQVNRIC-SQNIBIBYSA-N 2 0 290.451 2.615 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000567515968 383283765 /nfs/dbraw/zinc/28/37/65/383283765.db2.gz OZRKWBGNFULPBF-YDHLFZDLSA-N 2 0 294.414 2.825 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000449439225 383294485 /nfs/dbraw/zinc/29/44/85/383294485.db2.gz ULYUTMUFUUXCQZ-DJIMGWMZSA-N 2 0 280.456 2.798 20 0 CFADRP COC1(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000459730704 383295136 /nfs/dbraw/zinc/29/51/36/383295136.db2.gz FEKMMOZSTKVPTH-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459775954 383296716 /nfs/dbraw/zinc/29/67/16/383296716.db2.gz JSGKYJFRXQMRAN-LVQVYYBASA-N 2 0 280.456 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@@H](C)C1 ZINC000248861251 383299779 /nfs/dbraw/zinc/29/97/79/383299779.db2.gz AMEKDZSUEPMNHF-XIRDDKMYSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248880259 383301822 /nfs/dbraw/zinc/30/18/22/383301822.db2.gz KLYRCTOFKWHUPC-ZCRFILTFSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248882170 383302630 /nfs/dbraw/zinc/30/26/30/383302630.db2.gz LBZISWMIUUDLON-UCHQMPSGSA-N 2 0 280.456 2.797 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CC2)C3)cc1 ZINC000248886226 383302645 /nfs/dbraw/zinc/30/26/45/383302645.db2.gz MFKXYVYDOGXHOC-BJWYYQGGSA-N 2 0 256.393 2.934 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000634679271 383308446 /nfs/dbraw/zinc/30/84/46/383308446.db2.gz PJFVCUGRERHFLI-CQSZACIVSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(C)(C)c1ccccc1 ZINC000567748562 383311883 /nfs/dbraw/zinc/31/18/83/383311883.db2.gz YFWGOFLKBZVQJR-SJORKVTESA-N 2 0 292.467 2.645 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000634683894 383313113 /nfs/dbraw/zinc/31/31/13/383313113.db2.gz BSXKSFZRKDEINC-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000249032533 383319329 /nfs/dbraw/zinc/31/93/29/383319329.db2.gz FLEAIRQBTPREPW-NVXWUHKLSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249031977 383319723 /nfs/dbraw/zinc/31/97/23/383319723.db2.gz RKMSOJNLAGDKDL-POGJWJPPSA-N 2 0 288.435 2.713 20 0 CFADRP CO[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249058361 383323155 /nfs/dbraw/zinc/32/31/55/383323155.db2.gz ZHAGUVOYIFRAIF-NRSFXHEJSA-N 2 0 288.435 2.807 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449482960 383323215 /nfs/dbraw/zinc/32/32/15/383323215.db2.gz FFQVEUFQKHTEFJ-KGLIPLIRSA-N 2 0 270.380 2.711 20 0 CFADRP COc1ccc(-c2ccncc2)cc1CN(C)CCC[NH3+] ZINC000567864634 383324206 /nfs/dbraw/zinc/32/42/06/383324206.db2.gz DZOIQFPUVBJSJG-UHFFFAOYSA-N 2 0 285.391 2.538 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000249088773 383325428 /nfs/dbraw/zinc/32/54/28/383325428.db2.gz JXXQNYQGYOVIQI-JQHSSLGASA-N 2 0 288.435 2.523 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CC[NH+](C)C)CC1 ZINC000450282629 383388867 /nfs/dbraw/zinc/38/88/67/383388867.db2.gz HBTQXUPAFSCCMG-GOSISDBHSA-N 2 0 295.515 2.913 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@]2(C)CCCO2)CC1 ZINC000340248809 383391755 /nfs/dbraw/zinc/39/17/55/383391755.db2.gz XFNMMSUSGAWDBU-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000340275376 383399364 /nfs/dbraw/zinc/39/93/64/383399364.db2.gz BVHRYMIXJDLHBZ-ROUUACIJSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000340275372 383399563 /nfs/dbraw/zinc/39/95/63/383399563.db2.gz BVHRYMIXJDLHBZ-QZTJIDSGSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@H]2CCCC[NH+]2C[C@H]1C ZINC000450416723 383400875 /nfs/dbraw/zinc/40/08/75/383400875.db2.gz HPBVKZIIKPHEED-KZNAEPCWSA-N 2 0 293.499 2.808 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2(C)CCC2)CC1 ZINC000340288591 383407260 /nfs/dbraw/zinc/40/72/60/383407260.db2.gz OONYYOUUBJWTSL-IRXDYDNUSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000340291659 383408315 /nfs/dbraw/zinc/40/83/15/383408315.db2.gz SDMMCMYRBJENGZ-LBPRGKRZSA-N 2 0 260.372 2.884 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)s1 ZINC000568511830 383409640 /nfs/dbraw/zinc/40/96/40/383409640.db2.gz XJVFBXQJGBHGCN-OAHLLOKOSA-N 2 0 264.438 2.940 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000340175382 383369469 /nfs/dbraw/zinc/36/94/69/383369469.db2.gz YFBHNNRPCPAESZ-HOCLYGCPSA-N 2 0 276.424 2.763 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000469970226 383373390 /nfs/dbraw/zinc/37/33/90/383373390.db2.gz YHZMBYISZIELAO-GOSISDBHSA-N 2 0 272.436 2.893 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250324105 383374450 /nfs/dbraw/zinc/37/44/50/383374450.db2.gz NPQUMMXPXCZAAX-LRDDRELGSA-N 2 0 278.827 2.739 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000470016759 383374510 /nfs/dbraw/zinc/37/45/10/383374510.db2.gz VKBCNMNKYAOSNE-RDJZCZTQSA-N 2 0 260.425 2.797 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250440591 383376119 /nfs/dbraw/zinc/37/61/19/383376119.db2.gz JXKKBDCDWCDOJX-GVDBMIGSSA-N 2 0 274.408 2.706 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000425353709 383376579 /nfs/dbraw/zinc/37/65/79/383376579.db2.gz JBGXHMBFDLNJMP-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000250641940 383378561 /nfs/dbraw/zinc/37/85/61/383378561.db2.gz ZURYTORQFYPPCY-LSDHHAIUSA-N 2 0 292.423 2.523 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000251021052 383384635 /nfs/dbraw/zinc/38/46/35/383384635.db2.gz NYJAHOBGKZWWAP-JYJNAYRXSA-N 2 0 258.409 2.824 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000251084361 383385126 /nfs/dbraw/zinc/38/51/26/383385126.db2.gz ZLAHMPFLQZPZOT-CVEARBPZSA-N 2 0 274.408 2.590 20 0 CFADRP CCOC(=O)CCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524812236 383387516 /nfs/dbraw/zinc/38/75/16/383387516.db2.gz ZYBKGUKDNDSUOE-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP Cc1ncc(C[NH2+][C@H]2CCCOc3ccccc32)n1C ZINC000568648857 383423866 /nfs/dbraw/zinc/42/38/66/383423866.db2.gz LHUXAUVESXLPHY-HNNXBMFYSA-N 2 0 271.364 2.732 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000568662395 383425386 /nfs/dbraw/zinc/42/53/86/383425386.db2.gz ALARFEWNUIFSSO-DZGCQCFKSA-N 2 0 278.444 2.946 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000568709003 383427654 /nfs/dbraw/zinc/42/76/54/383427654.db2.gz AXHATKBISJDDHW-ZOBUZTSGSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703354 383429001 /nfs/dbraw/zinc/42/90/01/383429001.db2.gz ZUKIFFNJCUYLCS-KBMXLJTQSA-N 2 0 276.399 2.973 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000568749185 383432632 /nfs/dbraw/zinc/43/26/32/383432632.db2.gz YSXZIBAQRNYQMF-HZPDHXFCSA-N 2 0 296.370 2.692 20 0 CFADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccn(C)n1 ZINC000340475771 383434216 /nfs/dbraw/zinc/43/42/16/383434216.db2.gz NMHZZUWOEWWRDW-OAHLLOKOSA-N 2 0 278.444 2.727 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)c2ccccc21 ZINC000252782073 383434381 /nfs/dbraw/zinc/43/43/81/383434381.db2.gz NEHCYDHNHMOTLM-XYPHTWIQSA-N 2 0 280.371 2.725 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000340475988 383434468 /nfs/dbraw/zinc/43/44/68/383434468.db2.gz DQLUQMCTWSDMCL-OAHLLOKOSA-N 2 0 278.444 2.820 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000340475074 383434892 /nfs/dbraw/zinc/43/48/92/383434892.db2.gz KGMVYLWCVWYQPX-FGTMMUONSA-N 3 0 293.499 2.715 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccon3)CC2)CC1 ZINC000634972995 383434847 /nfs/dbraw/zinc/43/48/47/383434847.db2.gz NAFTZQGAYQOAKN-UHFFFAOYSA-N 2 0 277.412 2.807 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340476888 383435562 /nfs/dbraw/zinc/43/55/62/383435562.db2.gz IWCUDHVAPXKYHC-AWEZNQCLSA-N 2 0 278.444 2.645 20 0 CFADRP Fc1cccc(CN(CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000634991421 383447143 /nfs/dbraw/zinc/44/71/43/383447143.db2.gz CWQVJZCTXWWGTB-UHFFFAOYSA-N 2 0 260.356 2.542 20 0 CFADRP CN(Cc1cccc(-c2ccc(N)cc2)n1)C1CC[NH2+]CC1 ZINC000634990800 383447168 /nfs/dbraw/zinc/44/71/68/383447168.db2.gz CULWPSCPWTTWAM-UHFFFAOYSA-N 2 0 296.418 2.515 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)N(C)CC12CC(C1)C[NH2+]2 ZINC000634991405 383447179 /nfs/dbraw/zinc/44/71/79/383447179.db2.gz CKIPASSXYXEFHR-NLTNOIMHSA-N 2 0 266.335 2.710 20 0 CFADRP C[C@@H]1CC[N@H+](CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000253176520 383447200 /nfs/dbraw/zinc/44/72/00/383447200.db2.gz AALGUAWXLXAOLK-ZIAGYGMSSA-N 2 0 264.438 2.695 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C[C@H]1C[NH3+] ZINC000253197344 383447912 /nfs/dbraw/zinc/44/79/12/383447912.db2.gz UUEVPRIFFQASDL-GXTWGEPZSA-N 2 0 287.382 2.791 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000340516126 383450774 /nfs/dbraw/zinc/45/07/74/383450774.db2.gz AXKXUEXYNNWJSF-GVDBMIGSSA-N 2 0 292.467 2.656 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000634998680 383453881 /nfs/dbraw/zinc/45/38/81/383453881.db2.gz JJAXUFORQHTSFR-GZBFAFLISA-N 2 0 294.414 2.540 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000484313051 383454991 /nfs/dbraw/zinc/45/49/91/383454991.db2.gz SWYGLFQUPRONRB-BZUAXINKSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000568974417 383455157 /nfs/dbraw/zinc/45/51/57/383455157.db2.gz QMBKJTHIDKXHHC-YJBOKZPZSA-N 2 0 290.451 2.994 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000484305213 383455364 /nfs/dbraw/zinc/45/53/64/383455364.db2.gz IAWKBGHNGYNCGG-FRFSOERESA-N 2 0 294.414 2.913 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1C[NH3+] ZINC000634999213 383455746 /nfs/dbraw/zinc/45/57/46/383455746.db2.gz RFRUPEIHEWTYKF-CZUORRHYSA-N 2 0 274.408 2.502 20 0 CFADRP CCc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000568990173 383456459 /nfs/dbraw/zinc/45/64/59/383456459.db2.gz GCVSOPJORDMSSJ-UHFFFAOYSA-N 2 0 290.451 2.574 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000634999673 383457823 /nfs/dbraw/zinc/45/78/23/383457823.db2.gz XRDNPVZQCAHWDD-RHSMWYFYSA-N 2 0 281.403 2.775 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000635003993 383459681 /nfs/dbraw/zinc/45/96/81/383459681.db2.gz GJVOUGRJDJTUBR-DLOVCJGASA-N 2 0 253.415 2.620 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000635002932 383459698 /nfs/dbraw/zinc/45/96/98/383459698.db2.gz BVOSFQUUGOGECD-SWLSCSKDSA-N 2 0 259.397 2.832 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003740 383460080 /nfs/dbraw/zinc/46/00/80/383460080.db2.gz BDKPXYCAFMIIHK-AVGNSLFASA-N 2 0 252.427 2.786 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000635004421 383460799 /nfs/dbraw/zinc/46/07/99/383460799.db2.gz DILNDUYYHIYKMF-LSDHHAIUSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005260 383461728 /nfs/dbraw/zinc/46/17/28/383461728.db2.gz ISXHEZCJRLBHTL-OBJOEFQTSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635005321 383462228 /nfs/dbraw/zinc/46/22/28/383462228.db2.gz HLTQATHWHYLKQF-LXZKKBNFSA-N 2 0 273.424 2.835 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423453134 532985096 /nfs/dbraw/zinc/98/50/96/532985096.db2.gz ADDKJZTYPDPBAD-MELADBBJSA-N 2 0 292.423 2.872 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccnc1 ZINC000635005392 383462460 /nfs/dbraw/zinc/46/24/60/383462460.db2.gz MUFDYPQSPRYGHS-FVQBIDKESA-N 2 0 261.413 2.886 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000569258924 383482603 /nfs/dbraw/zinc/48/26/03/383482603.db2.gz NOLUPIPCNSOJCH-HOTGVXAUSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(CO)c1 ZINC000635007144 383463288 /nfs/dbraw/zinc/46/32/88/383463288.db2.gz AFRCHJAHNBOXRW-CZUORRHYSA-N 2 0 276.424 2.608 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635008712 383464051 /nfs/dbraw/zinc/46/40/51/383464051.db2.gz SKANPPVDNFUHNA-YOEHRIQHSA-N 2 0 269.392 2.692 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007828 383464123 /nfs/dbraw/zinc/46/41/23/383464123.db2.gz BMTHMEIXKPJEIH-ZNMIVQPWSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cncc(F)c1 ZINC000635007814 383464730 /nfs/dbraw/zinc/46/47/30/383464730.db2.gz PKLQDWLEMIAGRQ-DYVFJYSZSA-N 2 0 287.382 2.831 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635009280 383465166 /nfs/dbraw/zinc/46/51/66/383465166.db2.gz XMBNGCBLCDDCQI-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635009829 383465536 /nfs/dbraw/zinc/46/55/36/383465536.db2.gz WKBUHHIFNUCDMJ-WMLDXEAASA-N 2 0 272.392 2.760 20 0 CFADRP Cc1cccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000635010777 383466764 /nfs/dbraw/zinc/46/67/64/383466764.db2.gz VKGIMNIYYPIQGB-OAHLLOKOSA-N 2 0 296.418 2.973 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cn1 ZINC000635012560 383467813 /nfs/dbraw/zinc/46/78/13/383467813.db2.gz WCXQQAJKCWOJJB-LBPRGKRZSA-N 2 0 285.366 2.717 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635012403 383467994 /nfs/dbraw/zinc/46/79/94/383467994.db2.gz MHLYEEFWPGUMLW-PMPSAXMXSA-N 2 0 280.456 2.975 20 0 CFADRP CC(C)(C)CC[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527244402 383468794 /nfs/dbraw/zinc/46/87/94/383468794.db2.gz NUSCLEUNHVNHJF-INIZCTEOSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635013148 383469676 /nfs/dbraw/zinc/46/96/76/383469676.db2.gz RAMLKPKHIVMODC-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013701 383469735 /nfs/dbraw/zinc/46/97/35/383469735.db2.gz HGYWVBGYKURRRN-IMJJTQAJSA-N 2 0 296.842 2.666 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569121554 383470590 /nfs/dbraw/zinc/47/05/90/383470590.db2.gz HCWCAVRUIJJDBZ-IXDOHACOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000635014255 383470770 /nfs/dbraw/zinc/47/07/70/383470770.db2.gz ZUULPZUZDBXJIX-RISCZKNCSA-N 2 0 256.340 2.943 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CNc3ccccc32)CC[N@@H+]1C ZINC000635021380 383473773 /nfs/dbraw/zinc/47/37/73/383473773.db2.gz OGHDNTKYEADDFC-KFWWJZLASA-N 2 0 273.424 2.658 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]n1 ZINC000569211789 383477020 /nfs/dbraw/zinc/47/70/20/383477020.db2.gz HTGGULYMBAVFMQ-IPYPFGDCSA-N 2 0 278.444 2.550 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)o1 ZINC000569228186 383479493 /nfs/dbraw/zinc/47/94/93/383479493.db2.gz MUQNFOPJTVRPDL-GDBMZVCRSA-N 2 0 271.364 2.568 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000450458059 383418310 /nfs/dbraw/zinc/41/83/10/383418310.db2.gz WYGQVKIMBAOAQK-ZDUSSCGKSA-N 2 0 272.383 2.695 20 0 CFADRP FC1(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525996884 383419396 /nfs/dbraw/zinc/41/93/96/383419396.db2.gz QQEZZZSLDYBJNM-OAHLLOKOSA-N 2 0 262.372 2.600 20 0 CFADRP Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000261722294 383547461 /nfs/dbraw/zinc/54/74/61/383547461.db2.gz RHPJLEWBVHHHGX-INIZCTEOSA-N 2 0 273.424 2.577 20 0 CFADRP Nc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000261722297 383548736 /nfs/dbraw/zinc/54/87/36/383548736.db2.gz RHPJLEWBVHHHGX-MRXNPFEDSA-N 2 0 273.424 2.577 20 0 CFADRP CN(Cc1ccc(F)cc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261730984 383549735 /nfs/dbraw/zinc/54/97/35/383549735.db2.gz HCVUWBRYMTWOED-AWEZNQCLSA-N 2 0 270.779 2.911 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257648516 383496534 /nfs/dbraw/zinc/49/65/34/383496534.db2.gz CSLWNCHRTUGBHG-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257648514 383496785 /nfs/dbraw/zinc/49/67/85/383496785.db2.gz CSLWNCHRTUGBHG-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000261542190 383509052 /nfs/dbraw/zinc/50/90/52/383509052.db2.gz NNYVELKBQGWTLG-DGCLKSJQSA-N 2 0 252.789 2.818 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000261562260 383512716 /nfs/dbraw/zinc/51/27/16/383512716.db2.gz BERKTSDUNLKELM-JTQLQIEISA-N 2 0 258.818 2.962 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1nccs1 ZINC000261565881 383512751 /nfs/dbraw/zinc/51/27/51/383512751.db2.gz FXMSWYQVMCQMFG-AAVRWANBSA-N 2 0 279.453 2.757 20 0 CFADRP C[C@H](c1nc(-c2cccs2)no1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261739262 383551112 /nfs/dbraw/zinc/55/11/12/383551112.db2.gz OXXYAMKRAYGZDY-YGRLFVJLSA-N 2 0 292.408 2.530 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000569670083 383524702 /nfs/dbraw/zinc/52/47/02/383524702.db2.gz QITUAQPRWMHOMG-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000261597839 383524699 /nfs/dbraw/zinc/52/46/99/383524699.db2.gz PEYNITPPYSLYEO-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2n1 ZINC000261750316 383551862 /nfs/dbraw/zinc/55/18/62/383551862.db2.gz TUOFWDVTLLDAMP-DLBZAZTESA-N 2 0 281.403 2.585 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)[C@H](C)C1 ZINC000429468208 383535719 /nfs/dbraw/zinc/53/57/19/383535719.db2.gz KIXWVHKHTBHPST-OCCSQVGLSA-N 2 0 290.398 2.511 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000261651657 383536980 /nfs/dbraw/zinc/53/69/80/383536980.db2.gz YITSUEHKGLEARG-CXAGYDPISA-N 2 0 254.377 2.927 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CS1 ZINC000488432548 383538017 /nfs/dbraw/zinc/53/80/17/383538017.db2.gz PQEMFBVKAZMQIS-KFWWJZLASA-N 2 0 270.486 2.838 20 0 CFADRP Fc1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261692557 383542744 /nfs/dbraw/zinc/54/27/44/383542744.db2.gz NNPQKBOHNOZDIG-MLGOLLRUSA-N 2 0 285.366 2.558 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[NH+](CC)CC ZINC000429553054 383543229 /nfs/dbraw/zinc/54/32/29/383543229.db2.gz MJJBZDPPPNYKNY-DOMZBBRYSA-N 2 0 277.412 2.765 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000429833905 383572437 /nfs/dbraw/zinc/57/24/37/383572437.db2.gz VJHPQLGWJNBJQG-ROUUACIJSA-N 2 0 287.451 2.739 20 0 CFADRP C[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430916714 383611296 /nfs/dbraw/zinc/61/12/96/383611296.db2.gz HURNKLPCILNJSG-DOMZBBRYSA-N 2 0 282.815 2.778 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450980800 383577391 /nfs/dbraw/zinc/57/73/91/383577391.db2.gz GNZKWNPIMUPGFK-SOABOVLPSA-N 2 0 293.499 2.806 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261924941 383579881 /nfs/dbraw/zinc/57/98/81/383579881.db2.gz ZBQNZDORUASVAT-HNNXBMFYSA-N 2 0 264.438 2.969 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ncc(C(C)(C)C)s1 ZINC000261920464 383580004 /nfs/dbraw/zinc/58/00/04/383580004.db2.gz KJKUSUOWVHCXGY-MNOVXSKESA-N 2 0 267.442 2.610 20 0 CFADRP CN(Cc1ccnn1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261921703 383580606 /nfs/dbraw/zinc/58/06/06/383580606.db2.gz KNMNRPYOXWTGPA-MVVMVCHASA-N 2 0 296.418 2.587 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261931959 383581621 /nfs/dbraw/zinc/58/16/21/383581621.db2.gz LQGTUSFDGAREPU-HNNXBMFYSA-N 2 0 258.409 2.661 20 0 CFADRP c1ccc(OCC2CC2)c(CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261950882 383584734 /nfs/dbraw/zinc/58/47/34/383584734.db2.gz FYDKCOTZYQVZJT-SFHVURJKSA-N 2 0 286.419 2.661 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261956195 383585940 /nfs/dbraw/zinc/58/59/40/383585940.db2.gz ORAKALIAEYEEBX-ZDUSSCGKSA-N 2 0 264.388 2.949 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCC4)C[C@@H]2C1 ZINC000430068660 383588477 /nfs/dbraw/zinc/58/84/77/383588477.db2.gz GMCYRGVSZUOXEK-HDICACEKSA-N 2 0 270.420 2.559 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1[NH3+] ZINC000261969989 383588811 /nfs/dbraw/zinc/58/88/11/383588811.db2.gz QEAJBPLOKPLNEK-CXAGYDPISA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2cccs2)CC[NH2+]C1 ZINC000261976456 383590337 /nfs/dbraw/zinc/59/03/37/383590337.db2.gz ITWSXAROBYDDDO-GXTWGEPZSA-N 2 0 250.411 2.885 20 0 CFADRP c1nc(C2CC2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000262000840 383592219 /nfs/dbraw/zinc/59/22/19/383592219.db2.gz UBBGKFJNJBOJEC-AWEZNQCLSA-N 2 0 291.464 2.985 20 0 CFADRP CCOc1c(Cl)cccc1CN(C)C1CC[NH2+]CC1 ZINC000262022060 383596490 /nfs/dbraw/zinc/59/64/90/383596490.db2.gz WGVXXFMRKFRUTH-UHFFFAOYSA-N 2 0 282.815 2.923 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451366199 383599229 /nfs/dbraw/zinc/59/92/29/383599229.db2.gz HXMSYMXNDIUHAW-XAJHFOFHSA-N 2 0 260.425 2.615 20 0 CFADRP C[NH2+]CC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000262047848 383600215 /nfs/dbraw/zinc/60/02/15/383600215.db2.gz ZFMRVGCVNCTBMY-UHFFFAOYSA-N 2 0 278.465 2.851 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)CC[NH2+]C1 ZINC000262072509 383602859 /nfs/dbraw/zinc/60/28/59/383602859.db2.gz SDYPBHOUMWXFEU-JKSUJKDBSA-N 2 0 262.372 2.962 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262100076 383604776 /nfs/dbraw/zinc/60/47/76/383604776.db2.gz VMCKIWHPZMZXIW-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1cccc([C@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262097080 383605002 /nfs/dbraw/zinc/60/50/02/383605002.db2.gz VHDSCSVEPCJDEF-DLBZAZTESA-N 2 0 258.409 2.784 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262100082 383605442 /nfs/dbraw/zinc/60/54/42/383605442.db2.gz VMCKIWHPZMZXIW-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1C ZINC000261751352 383552887 /nfs/dbraw/zinc/55/28/87/383552887.db2.gz CDTSIVVNNXFUGE-QGZVFWFLSA-N 2 0 288.435 2.968 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000261772182 383557007 /nfs/dbraw/zinc/55/70/07/383557007.db2.gz DTLIKASGBDGZLS-MRXNPFEDSA-N 2 0 278.465 2.851 20 0 CFADRP CC(C)[NH+](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)C(C)C ZINC000261775628 383558419 /nfs/dbraw/zinc/55/84/19/383558419.db2.gz WLGKABFQPNMNPF-INIZCTEOSA-N 2 0 297.487 2.519 20 0 CFADRP COc1cc(CN2CC[C@](C)(C[NH3+])C2)ccc1OC(C)C ZINC000261803224 383563443 /nfs/dbraw/zinc/56/34/43/383563443.db2.gz OFQMDHNPZSRCCX-QGZVFWFLSA-N 2 0 292.423 2.653 20 0 CFADRP CCCOc1cccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261807197 383564500 /nfs/dbraw/zinc/56/45/00/383564500.db2.gz RXIUZRTYSVTIFJ-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP c1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC21CC1 ZINC000261811418 383564646 /nfs/dbraw/zinc/56/46/46/383564646.db2.gz HTLXSXKXUNEMDL-UHFFFAOYSA-N 2 0 256.393 2.533 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000570054907 383566854 /nfs/dbraw/zinc/56/68/54/383566854.db2.gz DLSSJUPIFRXUQM-GXTWGEPZSA-N 2 0 282.815 2.921 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261857971 383571576 /nfs/dbraw/zinc/57/15/76/383571576.db2.gz XOCOFUOHZYQOLJ-CYBMUJFWSA-N 2 0 284.350 2.766 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263103889 383654627 /nfs/dbraw/zinc/65/46/27/383654627.db2.gz ZSHQQLRRWAKWNX-WBVHZDCISA-N 2 0 289.423 2.642 20 0 CFADRP FC(F)Oc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430951576 383615441 /nfs/dbraw/zinc/61/54/41/383615441.db2.gz VRIAVJYUKVOLEY-UHFFFAOYSA-N 2 0 296.361 2.864 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430960447 383616893 /nfs/dbraw/zinc/61/68/93/383616893.db2.gz JGNWYAFJXAKMCH-HOCLYGCPSA-N 2 0 276.424 2.687 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000570662953 383623192 /nfs/dbraw/zinc/62/31/92/383623192.db2.gz OIELYAMCZILTLP-HUUCEWRRSA-N 2 0 262.397 2.835 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000572056301 383750599 /nfs/dbraw/zinc/75/05/99/383750599.db2.gz WXTHRDIMCOFMTG-HOTGVXAUSA-N 2 0 276.424 2.884 20 0 CFADRP C(C[C@H]1CCOC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000645808529 383755320 /nfs/dbraw/zinc/75/53/20/383755320.db2.gz VCBQXQCAIHNMQB-IRXDYDNUSA-N 2 0 280.456 2.611 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645811456 383757153 /nfs/dbraw/zinc/75/71/53/383757153.db2.gz ZXGOWFCCEYABAF-MRXNPFEDSA-N 2 0 266.429 2.529 20 0 CFADRP CC1(C)CC([NH2+][C@@H]2CCOC(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000070346720 412970536 /nfs/dbraw/zinc/97/05/36/412970536.db2.gz CRUDZZFVJPKMLD-GFCCVEGCSA-N 2 0 268.445 2.843 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000645837806 383763466 /nfs/dbraw/zinc/76/34/66/383763466.db2.gz DONSKKWCZHVVES-RYRKJORJSA-N 2 0 292.467 2.752 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000645837805 383763753 /nfs/dbraw/zinc/76/37/53/383763753.db2.gz DONSKKWCZHVVES-NUJGCVRESA-N 2 0 292.467 2.752 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000264661839 383769974 /nfs/dbraw/zinc/76/99/74/383769974.db2.gz VUNGRHVZHSJLTP-DHZHZOJOSA-N 2 0 289.423 2.585 20 0 CFADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000422744505 533003519 /nfs/dbraw/zinc/00/35/19/533003519.db2.gz KECYFSOZQZNUML-OXGONZEZSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000571031930 383661128 /nfs/dbraw/zinc/66/11/28/383661128.db2.gz VKBZAFAYOYOCRA-QXSJWSMHSA-N 2 0 250.430 2.887 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(F)c1 ZINC000571171413 383670996 /nfs/dbraw/zinc/67/09/96/383670996.db2.gz JKMJGASPQFBRLX-ZDUSSCGKSA-N 2 0 289.354 2.937 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414497329 533010366 /nfs/dbraw/zinc/01/03/66/533010366.db2.gz SOPMVIPIXRTGNR-WDEREUQCSA-N 2 0 268.405 2.812 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cccnc1 ZINC000640530210 383818785 /nfs/dbraw/zinc/81/87/85/383818785.db2.gz ANNHLKFKIMBGEM-UHFFFAOYSA-N 2 0 261.413 2.780 20 0 CFADRP CCO[C@H](C[N@H+](C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000640534265 383819321 /nfs/dbraw/zinc/81/93/21/383819321.db2.gz OPLFSEXCDMHTBM-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP COC(C)(C)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533086 383819823 /nfs/dbraw/zinc/81/98/23/383819823.db2.gz CFSVKXNGBPARJA-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP COc1ccc(OCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422905285 533011363 /nfs/dbraw/zinc/01/13/63/533011363.db2.gz YYWKJNCFXKOJRJ-RHSMWYFYSA-N 2 0 292.423 2.571 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2s1 ZINC000572842213 383825787 /nfs/dbraw/zinc/82/57/87/383825787.db2.gz WGXFRACOBHPVJE-ZJUUUORDSA-N 2 0 263.410 2.820 20 0 CFADRP C1C[C@@H]2C[C@H]([NH+]3CCC[C@@]4(CCSC4)C3)CC[N@@H+]2C1 ZINC000453350365 383847794 /nfs/dbraw/zinc/84/77/94/383847794.db2.gz HXSHOZSLBKPNRX-BZUAXINKSA-N 2 0 280.481 2.832 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC000453392387 383849083 /nfs/dbraw/zinc/84/90/83/383849083.db2.gz FDERTRLDBXIDCH-AAEUAGOBSA-N 2 0 294.361 2.560 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000453386310 383850070 /nfs/dbraw/zinc/85/00/70/383850070.db2.gz ANQUKSGOGNZLLA-AWEZNQCLSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000572982339 383853916 /nfs/dbraw/zinc/85/39/16/383853916.db2.gz SPTAMIIGTSDYFR-IRXDYDNUSA-N 2 0 278.440 2.676 20 0 CFADRP COc1ccc(OC)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453594328 383864763 /nfs/dbraw/zinc/86/47/63/383864763.db2.gz IALFKJJDORFJOQ-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453598556 383867607 /nfs/dbraw/zinc/86/76/07/383867607.db2.gz PQNBRJSHVSZVNK-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CCC1(C[NH2+]CCCC[N@H+](C)C2CC2)CCOCC1 ZINC000453601046 383870197 /nfs/dbraw/zinc/87/01/97/383870197.db2.gz TUDPUTPLSMVCOM-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cc2cccnc2o1)C1CC1 ZINC000453603361 383871516 /nfs/dbraw/zinc/87/15/16/383871516.db2.gz XYHRBLRVYLGFRZ-UHFFFAOYSA-N 2 0 273.380 2.792 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000453604316 383872654 /nfs/dbraw/zinc/87/26/54/383872654.db2.gz ZEQJNUMHWUUYMF-UHFFFAOYSA-N 2 0 272.396 2.527 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000531707136 383907765 /nfs/dbraw/zinc/90/77/65/383907765.db2.gz AVQCLJVISQJEKQ-CYBMUJFWSA-N 2 0 289.423 2.564 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(C2CC2)s1 ZINC000573434378 383927893 /nfs/dbraw/zinc/92/78/93/383927893.db2.gz USWGUDSHLIQYNY-RISCZKNCSA-N 2 0 279.453 2.793 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccc(C)cc1C ZINC000422890598 533018959 /nfs/dbraw/zinc/01/89/59/533018959.db2.gz SNAYSSHHGWOIJI-RDJZCZTQSA-N 2 0 278.440 2.578 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423083715 533020123 /nfs/dbraw/zinc/02/01/23/533020123.db2.gz GLGNLFBCPLMSGD-HOCLYGCPSA-N 2 0 280.387 2.547 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1SC ZINC000423106457 533020526 /nfs/dbraw/zinc/02/05/26/533020526.db2.gz CVMWMDVDHKCAHB-OLZOCXBDSA-N 2 0 282.453 2.813 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532124845 383979561 /nfs/dbraw/zinc/97/95/61/383979561.db2.gz IHZXQXKQPWTGOR-ROUUACIJSA-N 2 0 293.499 2.811 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000532195638 383989219 /nfs/dbraw/zinc/98/92/19/383989219.db2.gz VSZNNWZBIYYGFA-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000532199239 383989522 /nfs/dbraw/zinc/98/95/22/383989522.db2.gz WIVFYKYXFLUFEE-PBHICJAKSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532194165 383990496 /nfs/dbraw/zinc/99/04/96/383990496.db2.gz OTAACOBUORWTRS-OLZOCXBDSA-N 2 0 298.390 2.507 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000573555595 383949194 /nfs/dbraw/zinc/94/91/94/383949194.db2.gz DMRPYAVVIYQOGF-SWLSCSKDSA-N 2 0 289.423 2.595 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000532620345 384052286 /nfs/dbraw/zinc/05/22/86/384052286.db2.gz SSINPOZPROACGF-STQMWFEESA-N 2 0 252.446 2.989 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000574010312 384028423 /nfs/dbraw/zinc/02/84/23/384028423.db2.gz UQFUCCCMOSZLCC-UYVKZUBASA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000532441395 384028505 /nfs/dbraw/zinc/02/85/05/384028505.db2.gz WGAKINUYSBDMCA-JSGCOSHPSA-N 2 0 298.377 2.903 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1CCOCC1 ZINC000532448186 384031289 /nfs/dbraw/zinc/03/12/89/384031289.db2.gz DLSBXMPIUKOFKW-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000574266674 384069244 /nfs/dbraw/zinc/06/92/44/384069244.db2.gz AHGWYWCECWVQSP-WMLDXEAASA-N 2 0 275.440 2.938 20 0 CFADRP Cc1nccc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000266194125 384109993 /nfs/dbraw/zinc/10/99/93/384109993.db2.gz HIWOIWWFFXUIER-OAHLLOKOSA-N 2 0 296.418 2.886 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CC(C)(C)C1 ZINC000574584215 384118684 /nfs/dbraw/zinc/11/86/84/384118684.db2.gz DFQOOOSERYTQSA-UHFFFAOYSA-N 2 0 270.380 2.854 20 0 CFADRP CC[C@@H](F)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000440515107 384093527 /nfs/dbraw/zinc/09/35/27/384093527.db2.gz YERMJZQZBJSPFZ-ZIAGYGMSSA-N 2 0 299.459 2.953 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC=C(c2ccccn2)C1 ZINC000574999350 384173585 /nfs/dbraw/zinc/17/35/85/384173585.db2.gz BAXPRHFMWJWTQS-INIZCTEOSA-N 2 0 271.408 2.655 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000266599571 384205722 /nfs/dbraw/zinc/20/57/22/384205722.db2.gz PXSGMXBQRXIUFQ-WMLDXEAASA-N 2 0 294.414 2.523 20 0 CFADRP CN(CCC[N@H+](C)Cc1ccco1)c1ccncc1F ZINC000641598823 384235574 /nfs/dbraw/zinc/23/55/74/384235574.db2.gz VVYHOQVLTORKPC-UHFFFAOYSA-N 2 0 277.343 2.772 20 0 CFADRP C[NH+](C)[C@H]1CCCN(Cc2cc(F)ccc2F)CC1 ZINC000277254702 384243837 /nfs/dbraw/zinc/24/38/37/384243837.db2.gz QLLOCKWIIKUJFE-AWEZNQCLSA-N 2 0 268.351 2.881 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)sn1 ZINC000637904614 384265649 /nfs/dbraw/zinc/26/56/49/384265649.db2.gz DRAZRXCLQXOCAD-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641707298 384278365 /nfs/dbraw/zinc/27/83/65/384278365.db2.gz IQVTTWWZAXBBGN-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000637963717 384313318 /nfs/dbraw/zinc/31/33/18/384313318.db2.gz BAIRLKIZYOFUDJ-MRXNPFEDSA-N 2 0 290.455 2.535 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000641707788 384279582 /nfs/dbraw/zinc/27/95/82/384279582.db2.gz KKSMWUIHTMPDPN-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCOCC2)CC1 ZINC000267027788 384282570 /nfs/dbraw/zinc/28/25/70/384282570.db2.gz KGKJTGYPHOEMCA-UHFFFAOYSA-N 2 0 297.402 2.536 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637928858 384285706 /nfs/dbraw/zinc/28/57/06/384285706.db2.gz ZLPTZRZDGUSBKJ-INIZCTEOSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1n[nH]cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267270708 384342509 /nfs/dbraw/zinc/34/25/09/384342509.db2.gz MJTKTBPEBPYZJN-RDTXWAMCSA-N 2 0 298.434 2.718 20 0 CFADRP COc1cccc(SCC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641801953 384371107 /nfs/dbraw/zinc/37/11/07/384371107.db2.gz WJTOXYIEPCFEPE-UONOGXRCSA-N 2 0 280.437 2.503 20 0 CFADRP CSc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802552 384371836 /nfs/dbraw/zinc/37/18/36/384371836.db2.gz MOIHMIBSOJKURV-CHWSQXEVSA-N 2 0 250.411 2.624 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277738926 384392496 /nfs/dbraw/zinc/39/24/96/384392496.db2.gz KAEMGOAXBRFZFD-OAHLLOKOSA-N 2 0 294.414 2.725 20 0 CFADRP Cc1ccc2nc(C[NH+]3CCC(c4ncc[nH]4)CC3)cn2c1 ZINC000267499437 384404285 /nfs/dbraw/zinc/40/42/85/384404285.db2.gz SIHSBHSAUIWTCO-UHFFFAOYSA-N 2 0 295.390 2.745 20 0 CFADRP CC[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000638104620 384418121 /nfs/dbraw/zinc/41/81/21/384418121.db2.gz LABJYRGVBUARFC-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000638106137 384418221 /nfs/dbraw/zinc/41/82/21/384418221.db2.gz ZWSYDIKFDKIMGK-ULQDDVLXSA-N 2 0 282.472 2.998 20 0 CFADRP C(C[C@@H]1CCO1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104290 384419494 /nfs/dbraw/zinc/41/94/94/384419494.db2.gz GDTOTUGPBXZFJT-HZPDHXFCSA-N 2 0 266.429 2.506 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)OC ZINC000638109117 384420624 /nfs/dbraw/zinc/42/06/24/384420624.db2.gz CMPOJIJWXBAHSC-JJXSEGSLSA-N 2 0 270.461 2.852 20 0 CFADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1Cl ZINC000423297429 533058393 /nfs/dbraw/zinc/05/83/93/533058393.db2.gz KGCLWUIZFIBEDT-UWVGGRQHSA-N 2 0 286.803 2.603 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)[C@@H](C)c2cnc(C)nc2C)C[C@H]1C ZINC000638111537 384423881 /nfs/dbraw/zinc/42/38/81/384423881.db2.gz UTGFOPVFFIESCG-INWMFGNUSA-N 2 0 290.455 2.959 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000277686197 384375231 /nfs/dbraw/zinc/37/52/31/384375231.db2.gz QAFRBYQUXAIYGC-DOMZBBRYSA-N 2 0 280.362 2.894 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641821566 384380580 /nfs/dbraw/zinc/38/05/80/384380580.db2.gz LRFIKLYDGOVOFL-UHFFFAOYSA-N 2 0 275.421 2.857 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000638112831 384425775 /nfs/dbraw/zinc/42/57/75/384425775.db2.gz NYIRFDCFEYQKAT-HNNXBMFYSA-N 2 0 250.430 2.840 20 0 CFADRP COc1cncc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000638118411 384430706 /nfs/dbraw/zinc/43/07/06/384430706.db2.gz UFVCOCLWQXCTLR-MRXNPFEDSA-N 2 0 291.439 2.705 20 0 CFADRP COc1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)s1 ZINC000638123659 384436014 /nfs/dbraw/zinc/43/60/14/384436014.db2.gz WSVBABAVRZVSNL-UHFFFAOYSA-N 2 0 297.468 2.706 20 0 CFADRP CO[C@@](C)(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000638124682 384438322 /nfs/dbraw/zinc/43/83/22/384438322.db2.gz UKFSWOKRDSCYBV-RDJZCZTQSA-N 2 0 280.456 2.609 20 0 CFADRP CCCc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000642621354 384443644 /nfs/dbraw/zinc/44/36/44/384443644.db2.gz FBPIXZUXQMHKTN-UHFFFAOYSA-N 2 0 290.451 2.841 20 0 CFADRP CCC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000638178139 384471754 /nfs/dbraw/zinc/47/17/54/384471754.db2.gz FYOQFVXLMZXECI-USXIJHARSA-N 2 0 280.456 2.750 20 0 CFADRP c1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sn1 ZINC000638184212 384478442 /nfs/dbraw/zinc/47/84/42/384478442.db2.gz YBSMNUHAHMMQED-IUODEOHRSA-N 2 0 277.437 2.592 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643030966 384479355 /nfs/dbraw/zinc/47/93/55/384479355.db2.gz DESNRMIYABQJTF-BBRMVZONSA-N 2 0 267.376 2.731 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643057810 384487643 /nfs/dbraw/zinc/48/76/43/384487643.db2.gz AKQOLPSVKMNUOR-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP c1ccc(O[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000643057203 384488100 /nfs/dbraw/zinc/48/81/00/384488100.db2.gz YQVULQGFMZNWSU-WMZOPIPTSA-N 2 0 288.435 2.920 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000643057178 384488152 /nfs/dbraw/zinc/48/81/52/384488152.db2.gz REUQCRHYCRIUOA-BBRMVZONSA-N 2 0 260.381 2.529 20 0 CFADRP C(C[NH+]1CCC(C2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000643058156 384488190 /nfs/dbraw/zinc/48/81/90/384488190.db2.gz IUYIKSHSRRNBQR-CQSZACIVSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])c(C(C)C)c1 ZINC000643075225 384492884 /nfs/dbraw/zinc/49/28/84/384492884.db2.gz QWYBWVMCMIMHLY-INIZCTEOSA-N 2 0 278.440 2.685 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000643296024 384554920 /nfs/dbraw/zinc/55/49/20/384554920.db2.gz JQIXFXVUOPRRNK-UHFFFAOYSA-N 2 0 293.480 2.984 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638294445 384537865 /nfs/dbraw/zinc/53/78/65/384537865.db2.gz QUXSQBFMXXMZDR-CQSZACIVSA-N 2 0 276.424 2.573 20 0 CFADRP C[N@H+](CCC[NH2+]CCC[C@H]1CCO1)C1CCCCC1 ZINC000638299917 384541561 /nfs/dbraw/zinc/54/15/61/384541561.db2.gz FNNZQYWXHUQSHK-INIZCTEOSA-N 2 0 268.445 2.800 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000570529870 322537800 /nfs/dbraw/zinc/53/78/00/322537800.db2.gz YYKIZXKMVYHRDS-BZUAXINKSA-N 2 0 268.445 2.831 20 0 CFADRP Cc1cnc(CNCCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000638365976 384590882 /nfs/dbraw/zinc/59/08/82/384590882.db2.gz JOXQUWVWOFRKRH-CYBMUJFWSA-N 2 0 265.401 2.585 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638411133 384632610 /nfs/dbraw/zinc/63/26/10/384632610.db2.gz LTWGUKVTEGKUFX-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC1(F)F ZINC000638381435 384608625 /nfs/dbraw/zinc/60/86/25/384608625.db2.gz LKABODVJRKEPHX-DOMZBBRYSA-N 2 0 298.377 2.760 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CC1(F)F ZINC000638381436 384608710 /nfs/dbraw/zinc/60/87/10/384608710.db2.gz LKABODVJRKEPHX-IUODEOHRSA-N 2 0 298.377 2.760 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000638385714 384612795 /nfs/dbraw/zinc/61/27/95/384612795.db2.gz JFUYYTMVICHLCF-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[NH2+]CCC1CCOCC1)C[NH+]1CCCCC1 ZINC000638389783 384615537 /nfs/dbraw/zinc/61/55/37/384615537.db2.gz DEXDUJKQJWMSHR-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccns1 ZINC000638367812 384592170 /nfs/dbraw/zinc/59/21/70/384592170.db2.gz YIFJBTHLDHSGHY-CYBMUJFWSA-N 2 0 267.442 2.887 20 0 CFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000638367741 384592508 /nfs/dbraw/zinc/59/25/08/384592508.db2.gz XVVWUKLXECYKGV-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC[C@H]2CCO2)C1 ZINC000638366304 384592853 /nfs/dbraw/zinc/59/28/53/384592853.db2.gz NHCRBPXVURVXTA-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000638367079 384593510 /nfs/dbraw/zinc/59/35/10/384593510.db2.gz CCURYUVNDJLTCW-IAGOWNOFSA-N 2 0 258.409 2.754 20 0 CFADRP COc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000638367903 384593731 /nfs/dbraw/zinc/59/37/31/384593731.db2.gz XDFQALGPHGWKOD-ZDUSSCGKSA-N 2 0 297.468 2.896 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccns2)C1 ZINC000638369324 384595111 /nfs/dbraw/zinc/59/51/11/384595111.db2.gz GAOQFLYUYKNVIU-KBPBESRZSA-N 2 0 281.469 2.991 20 0 CFADRP CCOC1CC(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000638370367 384596309 /nfs/dbraw/zinc/59/63/09/384596309.db2.gz CAHXFYSIVAPNKT-NUWOQIAWSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638371426 384598379 /nfs/dbraw/zinc/59/83/79/384598379.db2.gz RQJBMUKVWXYGJA-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)OC ZINC000638372782 384600972 /nfs/dbraw/zinc/60/09/72/384600972.db2.gz ZERVDDDSBJMFGN-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643498945 384663309 /nfs/dbraw/zinc/66/33/09/384663309.db2.gz ZIVAMRSRLMPDPW-AWEZNQCLSA-N 2 0 272.396 2.523 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCS2 ZINC000643497319 384663825 /nfs/dbraw/zinc/66/38/25/384663825.db2.gz GPQNMLGUHUHXDZ-HNNXBMFYSA-N 2 0 292.448 2.821 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000643497489 384663942 /nfs/dbraw/zinc/66/39/42/384663942.db2.gz YLKZCKROJZOWCJ-SFHVURJKSA-N 2 0 299.393 2.899 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453523 384635433 /nfs/dbraw/zinc/63/54/33/384635433.db2.gz JUMDUUYKSOKRTB-DOMZBBRYSA-N 2 0 281.403 2.839 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456589 384637346 /nfs/dbraw/zinc/63/73/46/384637346.db2.gz LFOODYCXOTYVNU-GXTWGEPZSA-N 2 0 286.341 2.965 20 0 CFADRP C[C@@H](NCC[NH2+]C1CC1)c1ccc(Cl)c(F)c1 ZINC000643507237 384674991 /nfs/dbraw/zinc/67/49/91/384674991.db2.gz WVOOUAIJWZDKLU-SECBINFHSA-N 2 0 256.752 2.882 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643459402 384639613 /nfs/dbraw/zinc/63/96/13/384639613.db2.gz ZBPZDGRIWSHNHK-IIAWOOMASA-N 2 0 276.424 2.919 20 0 CFADRP c1ccc(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000643458329 384639736 /nfs/dbraw/zinc/63/97/36/384639736.db2.gz MYIUZSIMRDVDBV-SJPCQFCGSA-N 2 0 258.409 2.882 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000643457521 384640438 /nfs/dbraw/zinc/64/04/38/384640438.db2.gz IKZOWHHPWBEGQH-OLZOCXBDSA-N 2 0 264.413 2.688 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CCCC[C@@H]3C[NH3+])nc21 ZINC000643458879 384641006 /nfs/dbraw/zinc/64/10/06/384641006.db2.gz SGSLSIFPAOBBOS-KGLIPLIRSA-N 2 0 287.407 2.786 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462851 384644645 /nfs/dbraw/zinc/64/46/45/384644645.db2.gz NAFJGIBPUIEOAM-GXTWGEPZSA-N 2 0 297.393 2.651 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CC1(F)F ZINC000638425978 384645939 /nfs/dbraw/zinc/64/59/39/384645939.db2.gz PRVYDSINGDTANJ-GXFFZTMASA-N 2 0 258.356 2.637 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466846 384646958 /nfs/dbraw/zinc/64/69/58/384646958.db2.gz SQDHGJLTHKYCGR-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000643469200 384650589 /nfs/dbraw/zinc/65/05/89/384650589.db2.gz XFOKUHXEDXBGNW-STQMWFEESA-N 2 0 262.372 2.793 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643475739 384654294 /nfs/dbraw/zinc/65/42/94/384654294.db2.gz HTDHILHOQZWTRI-PRLABOORSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643475711 384654772 /nfs/dbraw/zinc/65/47/72/384654772.db2.gz BYZLYOIVAMQJGD-SSHXOBKSSA-N 2 0 268.445 2.972 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643479687 384656323 /nfs/dbraw/zinc/65/63/23/384656323.db2.gz KBXOLNVXKUJUQP-DGCLKSJQSA-N 2 0 265.426 2.561 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000643544914 384724271 /nfs/dbraw/zinc/72/42/71/384724271.db2.gz QYYGQBHQQNMAFF-NNBWVPJWSA-N 2 0 292.467 2.687 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545793 384724826 /nfs/dbraw/zinc/72/48/26/384724826.db2.gz CJIMVFPXZQPJJB-CJNGLKHVSA-N 2 0 286.419 2.947 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545537 384725103 /nfs/dbraw/zinc/72/51/03/384725103.db2.gz STVCOYDUFCDKLR-AWEZNQCLSA-N 2 0 264.438 2.969 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCNC1CC1 ZINC000643507119 384676653 /nfs/dbraw/zinc/67/66/53/384676653.db2.gz SSVPUBCIXRMPEN-MRXNPFEDSA-N 2 0 264.388 2.734 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C2 ZINC000643509425 384680839 /nfs/dbraw/zinc/68/08/39/384680839.db2.gz UEAGDXXQOASJNY-YOEHRIQHSA-N 2 0 258.409 2.523 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000643512159 384682229 /nfs/dbraw/zinc/68/22/29/384682229.db2.gz WTLRAUVKNOQLES-OFQRWUPVSA-N 2 0 261.413 2.867 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000643512413 384682682 /nfs/dbraw/zinc/68/26/82/384682682.db2.gz VQVOJEXFTNQSJL-WCVJEAGWSA-N 2 0 290.455 2.553 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000643521662 384686609 /nfs/dbraw/zinc/68/66/09/384686609.db2.gz SNHPBIUXBLEQAR-IINYFYTJSA-N 2 0 254.324 2.758 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522116 384688305 /nfs/dbraw/zinc/68/83/05/384688305.db2.gz ICCBDGRYVGQWBP-GOEBONIOSA-N 2 0 274.408 2.940 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000643522243 384688704 /nfs/dbraw/zinc/68/87/04/384688704.db2.gz KKMZBQSBCLBMKB-BLLLJJGKSA-N 2 0 260.381 2.510 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522025 384688720 /nfs/dbraw/zinc/68/87/20/384688720.db2.gz GOZDBEVQBHDWJD-QWHCGFSZSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643522707 384688754 /nfs/dbraw/zinc/68/87/54/384688754.db2.gz SEDXRCUZGHFOPX-HJWJTTGWSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000643522036 384688925 /nfs/dbraw/zinc/68/89/25/384688925.db2.gz GRCORQXUWHQOIQ-JSGCOSHPSA-N 2 0 279.403 2.684 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522611 384689187 /nfs/dbraw/zinc/68/91/87/384689187.db2.gz QFSRFRPCZNZKRC-GDBMZVCRSA-N 2 0 276.449 2.749 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522023 384689338 /nfs/dbraw/zinc/68/93/38/384689338.db2.gz GOZDBEVQBHDWJD-CHWSQXEVSA-N 2 0 252.427 2.801 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522614 384689588 /nfs/dbraw/zinc/68/95/88/384689588.db2.gz QFSRFRPCZNZKRC-ZBFHGGJFSA-N 2 0 276.449 2.749 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523503 384691282 /nfs/dbraw/zinc/69/12/82/384691282.db2.gz XCBVDWOEKYLREI-ZDUSSCGKSA-N 2 0 270.376 2.994 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000643524020 384691444 /nfs/dbraw/zinc/69/14/44/384691444.db2.gz ZJXGUTRZARITNJ-SQWLQELKSA-N 2 0 289.423 2.572 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523110 384691898 /nfs/dbraw/zinc/69/18/98/384691898.db2.gz WVFNZXHEKHYQOM-CJNGLKHVSA-N 2 0 259.397 2.665 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000643523886 384692122 /nfs/dbraw/zinc/69/21/22/384692122.db2.gz KCWBQUIQXRPQKE-QEJZJMRPSA-N 2 0 290.407 2.768 20 0 CFADRP CC(C)COc1ccc([C@@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643526009 384694482 /nfs/dbraw/zinc/69/44/82/384694482.db2.gz MXVFMIJXAJTDNU-CHWSQXEVSA-N 2 0 250.386 2.719 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C12CCCC2 ZINC000643549005 384727170 /nfs/dbraw/zinc/72/71/70/384727170.db2.gz YXVKIPVNORXNPU-HRCADAONSA-N 2 0 292.467 2.989 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@H]2[NH2+]CCc3ccccc32)c2ccccc21 ZINC000643531656 384704332 /nfs/dbraw/zinc/70/43/32/384704332.db2.gz BPLJPQXLDRDZOG-CEXWTWQISA-N 2 0 293.414 2.608 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000643530898 384704571 /nfs/dbraw/zinc/70/45/71/384704571.db2.gz RBFOWXGKIUFHFO-CQSZACIVSA-N 2 0 296.480 2.675 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643534401 384705445 /nfs/dbraw/zinc/70/54/45/384705445.db2.gz TYKFYKVEVCTCON-IAGOWNOFSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643534196 384705912 /nfs/dbraw/zinc/70/59/12/384705912.db2.gz OEHFLXTUVKTWCO-IINYFYTJSA-N 2 0 266.335 2.758 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000643533937 384705959 /nfs/dbraw/zinc/70/59/59/384705959.db2.gz IGVKSBPJLLZDHI-YPMHNXCESA-N 2 0 250.411 2.849 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534638 384707282 /nfs/dbraw/zinc/70/72/82/384707282.db2.gz ZEMPUJSPGGJXEJ-CABCVRRESA-N 2 0 260.356 2.545 20 0 CFADRP FC(F)C1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000643535751 384709163 /nfs/dbraw/zinc/70/91/63/384709163.db2.gz IMVJQFYWXVFVAK-HTAVTVPLSA-N 2 0 258.356 2.542 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535968 384709426 /nfs/dbraw/zinc/70/94/26/384709426.db2.gz QJGUQKOHZJDUFZ-CMPLNLGQSA-N 2 0 266.410 2.549 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536024 384710837 /nfs/dbraw/zinc/71/08/37/384710837.db2.gz LZNYDBGFHSUIAF-MJBXVCDLSA-N 2 0 254.393 2.637 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000643536111 384711696 /nfs/dbraw/zinc/71/16/96/384711696.db2.gz RCQWFDYMARUZPJ-JOYOIKCWSA-N 2 0 265.426 2.553 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1C(C)(C)C1(C)C ZINC000643537133 384714108 /nfs/dbraw/zinc/71/41/08/384714108.db2.gz ZWNPXGNDYYCNSL-RYUDHWBXSA-N 2 0 250.430 2.789 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536987 384714236 /nfs/dbraw/zinc/71/42/36/384714236.db2.gz XSYJPWVCEWKSBB-ZIAGYGMSSA-N 2 0 278.346 2.684 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000643541879 384722089 /nfs/dbraw/zinc/72/20/89/384722089.db2.gz KETXSZDMBHATKT-PWSUYJOCSA-N 2 0 253.415 2.634 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541957 384722735 /nfs/dbraw/zinc/72/27/35/384722735.db2.gz ZUKWTNRXWFZFGW-CABCVRRESA-N 2 0 259.397 2.581 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]CCC[C@@H]1CCO1)C(C)(C)C ZINC000638605526 384777483 /nfs/dbraw/zinc/77/74/83/384777483.db2.gz PUZQDBSNXMIJNE-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[C@@H](C[NH2+]CC1CC[NH+](CCC)CC1)OC ZINC000638562809 384742199 /nfs/dbraw/zinc/74/21/99/384742199.db2.gz CCHSFBIJACPOQQ-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000638566543 384745869 /nfs/dbraw/zinc/74/58/69/384745869.db2.gz LPEOMNRAARDACF-AVGNSLFASA-N 2 0 260.372 2.740 20 0 CFADRP CC(C)n1cncc1CNc1cc(N(C)C)cc[nH+]1 ZINC000643770493 384758926 /nfs/dbraw/zinc/75/89/26/384758926.db2.gz GJZDJFIGIQRNRO-UHFFFAOYSA-N 2 0 259.357 2.537 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000638587876 384760427 /nfs/dbraw/zinc/76/04/27/384760427.db2.gz IEWQCGBYNNSHQN-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@]1(F)c1ccccc1)C1CC[NH+](C)CC1 ZINC000643908571 384788258 /nfs/dbraw/zinc/78/82/58/384788258.db2.gz FFTOOIYVNUTYGR-IAOVAPTHSA-N 2 0 276.399 2.944 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000638625692 384790888 /nfs/dbraw/zinc/79/08/88/384790888.db2.gz GZXVAKKLHVUWGL-HLLBOEOZSA-N 2 0 294.483 2.780 20 0 CFADRP CCC[C@@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)OC ZINC000638633814 384798418 /nfs/dbraw/zinc/79/84/18/384798418.db2.gz FAJMBTZJGAHHNV-HNNXBMFYSA-N 2 0 282.403 2.792 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C(C)C ZINC000638732889 384874191 /nfs/dbraw/zinc/87/41/91/384874191.db2.gz FRJCCBWDROZLMV-CVEARBPZSA-N 2 0 297.487 2.532 20 0 CFADRP C[C@H]([NH2+]CCN(C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280108821 384885694 /nfs/dbraw/zinc/88/56/94/384885694.db2.gz BFQCTRPGIDHOBD-NEPJUHHUSA-N 2 0 254.805 2.983 20 0 CFADRP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638702810 384851383 /nfs/dbraw/zinc/85/13/83/384851383.db2.gz SJVCTGLCUNOVEA-UONOGXRCSA-N 2 0 270.461 2.636 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000638723049 384866432 /nfs/dbraw/zinc/86/64/32/384866432.db2.gz XLLOZVQMIFJDKK-QGZVFWFLSA-N 2 0 282.472 2.759 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000423121364 533097279 /nfs/dbraw/zinc/09/72/79/533097279.db2.gz IMZUVCNTLCUMQL-GYSYKLTISA-N 2 0 270.804 2.743 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C)CCCCC2)CC1 ZINC000638759742 384896652 /nfs/dbraw/zinc/89/66/52/384896652.db2.gz LLJAXUJSSJAONZ-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638776468 384911544 /nfs/dbraw/zinc/91/15/44/384911544.db2.gz PRUPDVJZTHIDFK-ADHHOBDDSA-N 2 0 250.430 2.743 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000638787832 384919655 /nfs/dbraw/zinc/91/96/55/384919655.db2.gz JJLUFWUQSDNZNA-RDJZCZTQSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000644531229 384919734 /nfs/dbraw/zinc/91/97/34/384919734.db2.gz DSSILDCGNGPECI-OAHLLOKOSA-N 2 0 276.424 2.533 20 0 CFADRP Cc1noc(C2CCC([NH2+]CC(C)(C)C[NH+](C)C)CC2)n1 ZINC000644531551 384919918 /nfs/dbraw/zinc/91/99/18/384919918.db2.gz BQMHRBPRBIRAIQ-UHFFFAOYSA-N 2 0 294.443 2.582 20 0 CFADRP CC(C)(C[NH2+]C[C@H](O)CC1CCCC1)C[NH+]1CCCC1 ZINC000644631989 384969360 /nfs/dbraw/zinc/96/93/60/384969360.db2.gz MPIUHJVYBZKKGM-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638839036 384973531 /nfs/dbraw/zinc/97/35/31/384973531.db2.gz VIEXEXXLEZUTNE-UHFFFAOYSA-N 2 0 274.408 2.696 20 0 CFADRP Cn1c(CCC[NH2+]CCC[C@@H]2CCO2)nc2ccccc21 ZINC000638870380 385003526 /nfs/dbraw/zinc/00/35/26/385003526.db2.gz CVPPASUTFPGAPJ-CQSZACIVSA-N 2 0 287.407 2.665 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000638874401 385007165 /nfs/dbraw/zinc/00/71/65/385007165.db2.gz RYFCHLDLOCQQPU-IAGOWNOFSA-N 2 0 294.483 2.780 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638959952 385057806 /nfs/dbraw/zinc/05/78/06/385057806.db2.gz QDWZPIKTGJRIOO-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP CCC[C@@H](C[NH2+]CC[C@H](C)[NH+]1CCCCC1)OC ZINC000639039008 385111321 /nfs/dbraw/zinc/11/13/21/385111321.db2.gz XXUCKTCMAZXGIX-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP CO[C@](C)(C[NH2+]CC1(C[NH+](C)C)CCCC1)C1CC1 ZINC000639047441 385123922 /nfs/dbraw/zinc/12/39/22/385123922.db2.gz RMZYSGNGQXEBFC-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)(C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C[NH+]1CCCC1 ZINC000639101713 385192172 /nfs/dbraw/zinc/19/21/72/385192172.db2.gz CVBOIQQHWXMREI-QDMKHBRRSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000639102825 385195047 /nfs/dbraw/zinc/19/50/47/385195047.db2.gz MFMVSDMPVGDUBU-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000644989849 385153399 /nfs/dbraw/zinc/15/33/99/385153399.db2.gz OIPPJRUIMNAMRZ-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422768036 296386714 /nfs/dbraw/zinc/38/67/14/296386714.db2.gz SXENONRWMYHIDN-BZUAXINKSA-N 2 0 281.488 2.604 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CCCO1 ZINC000281177453 195136432 /nfs/dbraw/zinc/13/64/32/195136432.db2.gz HJKVOLPKQHZLBM-KRWDZBQOSA-N 2 0 285.391 2.873 20 0 CFADRP Cc1ccc(CC[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000639121263 385219229 /nfs/dbraw/zinc/21/92/29/385219229.db2.gz OUFPRACBUGHVCX-KRWDZBQOSA-N 2 0 290.451 2.628 20 0 CFADRP C[C@@H](c1ccncc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645186888 385230802 /nfs/dbraw/zinc/23/08/02/385230802.db2.gz SBSMUICAYRTFEI-GOEBONIOSA-N 2 0 259.397 2.560 20 0 CFADRP Cc1[nH]c2ncnc(N3CCC4(CCC[N@H+]4C)CC3)c2c1C ZINC000645204917 385242339 /nfs/dbraw/zinc/24/23/39/385242339.db2.gz ZXEYWLSOYATSMN-UHFFFAOYSA-N 2 0 299.422 2.639 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000571060166 322567347 /nfs/dbraw/zinc/56/73/47/322567347.db2.gz ARWGYUCWEJXUBL-RBSFLKMASA-N 2 0 282.815 2.887 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639163883 385268435 /nfs/dbraw/zinc/26/84/35/385268435.db2.gz XYMDCGSVQOESQL-DRFQVBMSSA-N 2 0 268.445 2.605 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000282308721 385279283 /nfs/dbraw/zinc/27/92/83/385279283.db2.gz KICKEZXAHJEAFJ-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@](C)(OC)C1CC1 ZINC000639175752 385283100 /nfs/dbraw/zinc/28/31/00/385283100.db2.gz PKTMWYOYSJGRJE-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@@H+](Cc1cccc2cc[nH]c21)C[C@@H]1CCC[NH+](C)C1 ZINC000271083498 385332238 /nfs/dbraw/zinc/33/22/38/385332238.db2.gz XXUFXUNTPWHLIK-CQSZACIVSA-N 2 0 271.408 2.942 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCC2(C)C)CC1 ZINC000639211448 385334081 /nfs/dbraw/zinc/33/40/81/385334081.db2.gz UWZJEQRKUPJAJY-CQSZACIVSA-N 2 0 282.472 2.638 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[NH3+])ccc1SC ZINC000423331699 533114281 /nfs/dbraw/zinc/11/42/81/533114281.db2.gz MTYWMTVWPNVBPB-LLVKDONJSA-N 2 0 268.426 2.807 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639222761 385348735 /nfs/dbraw/zinc/34/87/35/385348735.db2.gz NPBFLOWUTAGIFC-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000282676794 385367908 /nfs/dbraw/zinc/36/79/08/385367908.db2.gz JLILLQGTYIKSRG-HIFRSBDPSA-N 2 0 271.408 2.783 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccs1 ZINC000271567413 385385736 /nfs/dbraw/zinc/38/57/36/385385736.db2.gz YDOZYEBMKFZENC-QEJZJMRPSA-N 2 0 294.464 2.777 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271917326 385399993 /nfs/dbraw/zinc/39/99/93/385399993.db2.gz ZFIYCPXTGVFSNX-SFHVURJKSA-N 2 0 286.419 2.924 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271932044 385404527 /nfs/dbraw/zinc/40/45/27/385404527.db2.gz WVZGUVCZURFDNN-UHFFFAOYSA-N 2 0 296.418 2.737 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639285119 385412929 /nfs/dbraw/zinc/41/29/29/385412929.db2.gz BSHFOYWEVWMCSC-SQNIBIBYSA-N 2 0 290.451 2.737 20 0 CFADRP COc1cc(C[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)ccn1 ZINC000639290831 385418752 /nfs/dbraw/zinc/41/87/52/385418752.db2.gz WBCWIWBFCXERDY-OAHLLOKOSA-N 2 0 293.455 2.589 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(F)cn1 ZINC000414195386 533117947 /nfs/dbraw/zinc/11/79/47/533117947.db2.gz UUNMGTBTWHEPTO-CHWSQXEVSA-N 2 0 295.402 2.612 20 0 CFADRP CC[C@](C)(C[NH2+][C@H]1CCN(C2CCCCC2)C1)OC ZINC000639322977 385449188 /nfs/dbraw/zinc/44/91/88/385449188.db2.gz YAGSLDMUKNBLSI-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP C([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639339189 385465294 /nfs/dbraw/zinc/46/52/94/385465294.db2.gz ZPTOFTIAMFWTHB-WCXIOVBPSA-N 2 0 262.441 2.744 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2nc3ccccc3o2)C1 ZINC000639346224 385469966 /nfs/dbraw/zinc/46/99/66/385469966.db2.gz FEFRCXHQJBXELJ-ZDUSSCGKSA-N 2 0 273.380 2.649 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCN1C1CCCC1)OC ZINC000639351400 385473604 /nfs/dbraw/zinc/47/36/04/385473604.db2.gz FWGSNFSTOADAIM-IMJJTQAJSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)OC ZINC000639351398 385473861 /nfs/dbraw/zinc/47/38/61/385473861.db2.gz FWGSNFSTOADAIM-BPUTZDHNSA-N 2 0 268.445 2.654 20 0 CFADRP c1cc(N2CCC([NH2+][C@H]3CCCC34CC4)CC2)cc[nH+]1 ZINC000639361130 385480806 /nfs/dbraw/zinc/48/08/06/385480806.db2.gz SIVXHTAPNLINBD-INIZCTEOSA-N 2 0 271.408 2.973 20 0 CFADRP COC1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000639360012 385480935 /nfs/dbraw/zinc/48/09/35/385480935.db2.gz SCEGDKITIVRRPH-VFPGXZCRSA-N 2 0 288.435 2.522 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(O)c2OC)[C@@H](C)C1 ZINC000272257997 385490536 /nfs/dbraw/zinc/49/05/36/385490536.db2.gz JPDDLEMXCIGPPI-ZFWWWQNUSA-N 2 0 292.423 2.563 20 0 CFADRP CCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1O ZINC000283720677 385493054 /nfs/dbraw/zinc/49/30/54/385493054.db2.gz BBZSDTNXWZAQCT-DZGCQCFKSA-N 2 0 292.423 2.705 20 0 CFADRP Cc1scc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1C ZINC000639382488 385499191 /nfs/dbraw/zinc/49/91/91/385499191.db2.gz YQSGOADBMYDQBF-UHFFFAOYSA-N 2 0 296.480 2.690 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(C)sc2C)CC[C@@H]1[NH3+] ZINC000122237998 413002324 /nfs/dbraw/zinc/00/23/24/413002324.db2.gz HFEOSRUFZKHYMI-JSGCOSHPSA-N 2 0 252.427 2.924 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374345 385522296 /nfs/dbraw/zinc/52/22/96/385522296.db2.gz VGBCMZQRLSAEDP-UAGQMJEPSA-N 2 0 290.476 2.992 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284030394 385526506 /nfs/dbraw/zinc/52/65/06/385526506.db2.gz IJVFJQBSFJWPRD-GOSISDBHSA-N 2 0 288.435 2.619 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000272515908 385556591 /nfs/dbraw/zinc/55/65/91/385556591.db2.gz HCNVNIPSEYMDHH-AWEZNQCLSA-N 2 0 276.424 2.561 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000423239226 533131489 /nfs/dbraw/zinc/13/14/89/533131489.db2.gz BCFCLTGVVDHKTH-PBHICJAKSA-N 2 0 276.424 2.982 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000340248808 285185158 /nfs/dbraw/zinc/18/51/58/285185158.db2.gz XFNMMSUSGAWDBU-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2occc2c1 ZINC000286496831 385635545 /nfs/dbraw/zinc/63/55/45/385635545.db2.gz MEXNUDGXSDWJIE-INIZCTEOSA-N 2 0 290.407 2.879 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272770842 385608752 /nfs/dbraw/zinc/60/87/52/385608752.db2.gz SOUYRIZYFZYYBP-MRXNPFEDSA-N 2 0 290.382 2.891 20 0 CFADRP CO[C@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCC1 ZINC000639756490 385698118 /nfs/dbraw/zinc/69/81/18/385698118.db2.gz VXKZKXSFLGHLSW-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760180 385699684 /nfs/dbraw/zinc/69/96/84/385699684.db2.gz SZYPXFJQEFKWSX-UHFFFAOYSA-N 2 0 258.409 2.913 20 0 CFADRP Cc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000274367629 385779042 /nfs/dbraw/zinc/77/90/42/385779042.db2.gz PDNFSZDMUFNIPD-OKILXGFUSA-N 2 0 277.412 2.690 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C1CCC1 ZINC000639983188 385804102 /nfs/dbraw/zinc/80/41/02/385804102.db2.gz DRMPUCRVHNIJPL-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CC[C@H](C[NH+]1CCC(CC)([NH+]2CCCC2)CC1)OC ZINC000639986285 385806865 /nfs/dbraw/zinc/80/68/65/385806865.db2.gz LCJWDOCMWBKZQR-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000639988054 385808400 /nfs/dbraw/zinc/80/84/00/385808400.db2.gz MVARGBGBCGZUNE-HZPDHXFCSA-N 2 0 280.456 2.630 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000274610655 385833696 /nfs/dbraw/zinc/83/36/96/385833696.db2.gz KBJZLUXDUGNESV-HUUCEWRRSA-N 2 0 295.496 2.733 20 0 CFADRP CC[C@@H]1C[N@H+](CCSc2ccccc2)CC[C@@H]1[NH3+] ZINC000122890010 413009226 /nfs/dbraw/zinc/00/92/26/413009226.db2.gz SMUMRLGWVSQNEP-HIFRSBDPSA-N 2 0 264.438 2.838 20 0 CFADRP C[C@H](CCO)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977991 385905701 /nfs/dbraw/zinc/90/57/01/385905701.db2.gz YVFVFDSBCNFQPH-NUJGCVRESA-N 2 0 290.451 2.505 20 0 CFADRP Cc1ccsc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000275224589 385959411 /nfs/dbraw/zinc/95/94/11/385959411.db2.gz DEJCHONCTACDFB-QWHCGFSZSA-N 2 0 252.427 2.829 20 0 CFADRP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414767067 533156872 /nfs/dbraw/zinc/15/68/72/533156872.db2.gz JFNLCEVZGKPNLN-OIISXLGYSA-N 2 0 288.435 2.730 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355069172 285217672 /nfs/dbraw/zinc/21/76/72/285217672.db2.gz RCHUFUPDSCQLKA-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000178160498 285232933 /nfs/dbraw/zinc/23/29/33/285232933.db2.gz FPGYZRBSOHJIAI-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C1CC(C(F)F)C1)C(C)(C)C ZINC000681089425 542409296 /nfs/dbraw/zinc/40/92/96/542409296.db2.gz ANNBKIGZNQFFFI-MCIGGMRASA-N 2 0 262.388 2.986 20 0 CFADRP CC(C)c1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000681111656 542413322 /nfs/dbraw/zinc/41/33/22/542413322.db2.gz BWKYQAVKOBRGQN-IAGOWNOFSA-N 2 0 258.409 2.504 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000681112195 542413608 /nfs/dbraw/zinc/41/36/08/542413608.db2.gz BMUYGNGETHOJDO-UHFFFAOYSA-N 2 0 260.372 2.740 20 0 CFADRP COc1ccc([C@H]([NH2+]CC(C)(C)[NH3+])C(C)C)cc1 ZINC000423290135 533191466 /nfs/dbraw/zinc/19/14/66/533191466.db2.gz ZDCXGSCMLRSPMJ-CQSZACIVSA-N 2 0 250.386 2.719 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@@H](C)C[NH3+])C(C)C)cc1 ZINC000423298597 533195567 /nfs/dbraw/zinc/19/55/67/533195567.db2.gz OSJJHCHBAVOTEW-SWLSCSKDSA-N 2 0 250.386 2.577 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000423218168 533197536 /nfs/dbraw/zinc/19/75/36/533197536.db2.gz VFWYXJHOFJPBTM-WMLDXEAASA-N 2 0 276.424 2.982 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000422938850 533198150 /nfs/dbraw/zinc/19/81/50/533198150.db2.gz LARJWGGLGWEHDF-BFQNTYOBSA-N 2 0 262.397 2.862 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422892403 533211743 /nfs/dbraw/zinc/21/17/43/533211743.db2.gz YJGNZQINTDVQMZ-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CN(CCC[NH+]1CCCCC1)CCOC(C)(C)C ZINC000682029602 542507405 /nfs/dbraw/zinc/50/74/05/542507405.db2.gz ULHZTTLDBJZVPG-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000682028218 542507614 /nfs/dbraw/zinc/50/76/14/542507614.db2.gz ZCOCEKCJTGUGOA-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H]2CCCCC23CCCC3)CCC[NH2+]1 ZINC000423408321 285325285 /nfs/dbraw/zinc/32/52/85/285325285.db2.gz ABXUANFIOBKLCQ-WBVHZDCISA-N 2 0 280.456 2.848 20 0 CFADRP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000133030455 413039653 /nfs/dbraw/zinc/03/96/53/413039653.db2.gz HBGHZGPMSDZUHN-OLZOCXBDSA-N 2 0 276.449 2.658 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000682144028 542525883 /nfs/dbraw/zinc/52/58/83/542525883.db2.gz DHILIKPBNRGCMJ-MLGOLLRUSA-N 2 0 292.398 2.969 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200464 542570909 /nfs/dbraw/zinc/57/09/09/542570909.db2.gz RHINIAINRVMYAB-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccnn1C ZINC000682645265 542575624 /nfs/dbraw/zinc/57/56/24/542575624.db2.gz FPQYJQXFKVOWFS-INIZCTEOSA-N 2 0 292.471 2.622 20 0 CFADRP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000361968030 285372469 /nfs/dbraw/zinc/37/24/69/285372469.db2.gz YIZCUCXWGFNYAZ-KKUMJFAQSA-N 2 0 256.434 2.510 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(COC)CC2)[C@@H](C)C1 ZINC000449168319 285375853 /nfs/dbraw/zinc/37/58/53/285375853.db2.gz LZNZKZMJFHPRKW-SLTXQBBLSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000155059934 285376521 /nfs/dbraw/zinc/37/65/21/285376521.db2.gz PBUVPBUZTNEFHT-KFWWJZLASA-N 2 0 295.496 2.671 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000236586801 285389928 /nfs/dbraw/zinc/38/99/28/285389928.db2.gz NJZKXYZHIFWKOV-IIDMSEBBSA-N 2 0 286.419 2.986 20 0 CFADRP COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422720897 533269096 /nfs/dbraw/zinc/26/90/96/533269096.db2.gz UCZKLCBZPDLYBA-CHWSQXEVSA-N 2 0 294.464 2.684 20 0 CFADRP COC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000158676806 285399943 /nfs/dbraw/zinc/39/99/43/285399943.db2.gz QOYWLKGGJQJRIM-JYJNAYRXSA-N 2 0 270.461 2.615 20 0 CFADRP COC(=O)C1CCC([NH2+]CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000192447663 533280270 /nfs/dbraw/zinc/28/02/70/533280270.db2.gz KKWFMWPHLXEHBN-FHERZECASA-N 2 0 296.455 2.572 20 0 CFADRP COC(=O)C1CCC([NH2+]CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000192447664 533280367 /nfs/dbraw/zinc/28/03/67/533280367.db2.gz KKWFMWPHLXEHBN-QQFBHYJXSA-N 2 0 296.455 2.572 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000423324187 533289195 /nfs/dbraw/zinc/28/91/95/533289195.db2.gz IPFQUIFHSFNJBV-INIZCTEOSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423267594 533313315 /nfs/dbraw/zinc/31/33/15/533313315.db2.gz CTXCCJFIUFEJRQ-GLQYFDAESA-N 2 0 292.398 2.929 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423204413 533313702 /nfs/dbraw/zinc/31/37/02/533313702.db2.gz AOWLRYRWKUFPTB-ZOWXZIJZSA-N 2 0 292.398 2.799 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423340703 533366148 /nfs/dbraw/zinc/36/61/48/533366148.db2.gz CBRDPNATLTUFDR-CYBMUJFWSA-N 2 0 274.412 2.569 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423344966 533366581 /nfs/dbraw/zinc/36/65/81/533366581.db2.gz NJGJSGQKWSWRJR-SNVBAGLBSA-N 2 0 252.308 2.535 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422939843 533366826 /nfs/dbraw/zinc/36/68/26/533366826.db2.gz GCALIBFZVIUDCS-CYBMUJFWSA-N 2 0 264.413 2.690 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccccc1OC(F)(F)F ZINC000423186087 533379952 /nfs/dbraw/zinc/37/99/52/533379952.db2.gz WICXAIOVPGDYOX-SECBINFHSA-N 2 0 262.275 2.585 20 0 CFADRP C[C@@H](C1C[NH2+]C1)[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000423151487 533390332 /nfs/dbraw/zinc/39/03/32/533390332.db2.gz DIYOGRMTBRHWHB-LBPRGKRZSA-N 2 0 294.389 2.827 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422726370 533322655 /nfs/dbraw/zinc/32/26/55/533322655.db2.gz DSORMKXYSUHRTC-SOUVJXGZSA-N 2 0 277.456 2.831 20 0 CFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414876398 533447407 /nfs/dbraw/zinc/44/74/07/533447407.db2.gz LINUPSXIKIXBTJ-NSHDSACASA-N 2 0 295.814 2.528 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414824622 533447431 /nfs/dbraw/zinc/44/74/31/533447431.db2.gz QZUHYXXEFXYXDE-RHSMWYFYSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414183648 533453716 /nfs/dbraw/zinc/45/37/16/533453716.db2.gz NJJBSBXZTPUPOC-LBPRGKRZSA-N 2 0 289.379 2.544 20 0 CFADRP C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000422907871 533391305 /nfs/dbraw/zinc/39/13/05/533391305.db2.gz LPRJXDZTUFJJLI-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP COc1c(C)cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1C ZINC000420299862 533396070 /nfs/dbraw/zinc/39/60/70/533396070.db2.gz JPSGPZTVMJHKHM-OAHLLOKOSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423239635 533402970 /nfs/dbraw/zinc/40/29/70/533402970.db2.gz BOMPQUGAQPCWFN-VXGBXAGGSA-N 2 0 264.438 2.887 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@H]1CCC[NH2+]1 ZINC000422768063 533403971 /nfs/dbraw/zinc/40/39/71/533403971.db2.gz UCPIJCUNYCVQCS-IAQYHMDHSA-N 2 0 275.371 2.580 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423119766 533410459 /nfs/dbraw/zinc/41/04/59/533410459.db2.gz DQELTNFCCVKLCT-BXUZGUMPSA-N 2 0 286.341 2.605 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422944928 533457751 /nfs/dbraw/zinc/45/77/51/533457751.db2.gz MGSLAHWQIJREIH-IRXDYDNUSA-N 2 0 276.424 2.877 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423345323 533439116 /nfs/dbraw/zinc/43/91/16/533439116.db2.gz YSVSGSHXIUVZSB-CXAGYDPISA-N 2 0 274.408 2.757 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@H]1CCC[NH2+]C1 ZINC000414820841 533440476 /nfs/dbraw/zinc/44/04/76/533440476.db2.gz JZTUIZWRCHTYRH-ZJUUUORDSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(-n2cccn2)c1 ZINC000422814647 533498591 /nfs/dbraw/zinc/49/85/91/533498591.db2.gz VTZIQYVKQUPADV-MELADBBJSA-N 2 0 272.396 2.649 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(Cl)c1 ZINC000422887849 533501622 /nfs/dbraw/zinc/50/16/22/533501622.db2.gz LNVHLVTULNZIRU-WBMJQRKESA-N 2 0 296.842 2.869 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422801675 533501954 /nfs/dbraw/zinc/50/19/54/533501954.db2.gz CJSVPBZYYWVNJP-ZMSDIMECSA-N 2 0 298.434 2.911 20 0 CFADRP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422738331 533501976 /nfs/dbraw/zinc/50/19/76/533501976.db2.gz YKKDZTYDQUJPHD-DNVCBOLYSA-N 2 0 298.430 2.786 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CCOCC1 ZINC000423498607 533509066 /nfs/dbraw/zinc/50/90/66/533509066.db2.gz IINWGGUOVOITSN-PBHICJAKSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1C[NH2+]C1 ZINC000422762274 533512607 /nfs/dbraw/zinc/51/26/07/533512607.db2.gz MMJFAKLAPBKNOZ-MEBBXXQBSA-N 2 0 264.800 2.989 20 0 CFADRP C[C@@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)C1C[NH2+]C1 ZINC000422716392 533513344 /nfs/dbraw/zinc/51/33/44/533513344.db2.gz UMLFZQWGGZYODQ-WBMJQRKESA-N 2 0 294.414 2.817 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422765739 533517327 /nfs/dbraw/zinc/51/73/27/533517327.db2.gz LBLVJYOVRUMCFW-GFCCVEGCSA-N 2 0 285.391 2.708 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414876478 533580011 /nfs/dbraw/zinc/58/00/11/533580011.db2.gz DNOFZESSXSSJCX-ZDUSSCGKSA-N 2 0 262.397 2.835 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000422707985 533537653 /nfs/dbraw/zinc/53/76/53/533537653.db2.gz BDCXLEYUOXDPBP-HOTGVXAUSA-N 2 0 289.467 2.540 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423106918 533537730 /nfs/dbraw/zinc/53/77/30/533537730.db2.gz RRTOWAMASQSPRK-ZDUSSCGKSA-N 2 0 259.397 2.818 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cccc(Cl)c1 ZINC000422760189 533538292 /nfs/dbraw/zinc/53/82/92/533538292.db2.gz KOZUATOOVFQYOW-LBPRGKRZSA-N 2 0 254.805 2.990 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422951825 533553564 /nfs/dbraw/zinc/55/35/64/533553564.db2.gz AHACPJWOJQOYBE-NSHDSACASA-N 2 0 290.329 2.801 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422755906 533553933 /nfs/dbraw/zinc/55/39/33/533553933.db2.gz CAIYJYMOBSTBNJ-AWEZNQCLSA-N 2 0 269.392 2.966 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1cccc2ccccc21 ZINC000422934559 533554110 /nfs/dbraw/zinc/55/41/10/533554110.db2.gz COHMYZMNKZNBRS-AWEZNQCLSA-N 2 0 272.392 2.936 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423166420 533567830 /nfs/dbraw/zinc/56/78/30/533567830.db2.gz CNQVLRHYMLRVKB-OFQRWUPVSA-N 2 0 261.413 2.523 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH2+]CC1 ZINC000423181262 533653369 /nfs/dbraw/zinc/65/33/69/533653369.db2.gz JLUPGTJVUDJICC-NSHDSACASA-N 2 0 268.351 2.628 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000682734295 542584750 /nfs/dbraw/zinc/58/47/50/542584750.db2.gz PCVSNGQHUVDMKX-HLIUYOAVSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191657469 130272425 /nfs/dbraw/zinc/27/24/25/130272425.db2.gz IKTUTRZTKIAEJO-KKUMJFAQSA-N 2 0 294.439 2.701 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000355374861 130293660 /nfs/dbraw/zinc/29/36/60/130293660.db2.gz CONLJEBRECPRKU-CABCVRRESA-N 2 0 297.487 2.534 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000355385166 130298069 /nfs/dbraw/zinc/29/80/69/130298069.db2.gz WIBUUVRMAUUVFY-HNNXBMFYSA-N 2 0 297.487 2.535 20 0 CFADRP Cc1ccnc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000683017801 542628950 /nfs/dbraw/zinc/62/89/50/542628950.db2.gz QVYSFQDCZHHVEV-GOEBONIOSA-N 2 0 270.380 2.670 20 0 CFADRP CC1=CC[N@H+](CCNc2cc[nH+]c(C)c2Cl)CC1 ZINC000355677847 130332750 /nfs/dbraw/zinc/33/27/50/130332750.db2.gz DPLOVLXFRMDULG-UHFFFAOYSA-N 2 0 265.788 2.529 20 0 CFADRP Cc1[nH+]ccc(NCC2CC[NH+](C3CC3)CC2)c1Cl ZINC000355676944 130333764 /nfs/dbraw/zinc/33/37/64/130333764.db2.gz XQCXXSIEFSTCBK-UHFFFAOYSA-N 2 0 279.815 2.752 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000355682663 130336178 /nfs/dbraw/zinc/33/61/78/130336178.db2.gz QEVLJXWIONWVLH-KSZLIROESA-N 2 0 295.515 2.911 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000366764182 130354831 /nfs/dbraw/zinc/35/48/31/130354831.db2.gz UTZPTTDAXJBOCX-HUUCEWRRSA-N 2 0 292.471 2.624 20 0 CFADRP CC/C=C\CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000342230109 130402181 /nfs/dbraw/zinc/40/21/81/130402181.db2.gz LYGGKXXGWVQOKQ-PTZVLDCSSA-N 2 0 268.445 2.775 20 0 CFADRP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414905208 533671620 /nfs/dbraw/zinc/67/16/20/533671620.db2.gz ODMVKSBLABCXQZ-OAHLLOKOSA-N 2 0 282.815 2.828 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000359844955 130551861 /nfs/dbraw/zinc/55/18/61/130551861.db2.gz LCMDQVZMQVYYLL-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+](CC)CCCN1CCc2ccc(O)cc2CC1 ZINC000683141709 542645181 /nfs/dbraw/zinc/64/51/81/542645181.db2.gz MBXWPJXJNLDQRS-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP CC[NH+](CC)CCCN1CCOc2ccccc2C1 ZINC000683141849 542645522 /nfs/dbraw/zinc/64/55/22/542645522.db2.gz XAEPYRKWRRZCDC-UHFFFAOYSA-N 2 0 262.397 2.613 20 0 CFADRP CCc1cccc(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000353183436 130594366 /nfs/dbraw/zinc/59/43/66/130594366.db2.gz QLHORGVWKZEARG-UHFFFAOYSA-N 2 0 284.831 2.570 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227499541 130845340 /nfs/dbraw/zinc/84/53/40/130845340.db2.gz TUZQHBHTUSBGTM-CQSZACIVSA-N 2 0 264.413 2.922 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000227498437 130845594 /nfs/dbraw/zinc/84/55/94/130845594.db2.gz JASGYDGNYFKOHY-ZDUSSCGKSA-N 2 0 290.407 2.798 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000246180827 131091144 /nfs/dbraw/zinc/09/11/44/131091144.db2.gz CCNGIMLYISTRQS-MAUKXSAKSA-N 2 0 288.435 2.756 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC)[C@@H](C)C1 ZINC000248062523 131110578 /nfs/dbraw/zinc/11/05/78/131110578.db2.gz YSDBRZRPFSOFJM-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000249371137 131121389 /nfs/dbraw/zinc/12/13/89/131121389.db2.gz BKSFCRPFTUHCSX-CABCVRRESA-N 2 0 276.424 2.996 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccs1)N(C)C ZINC000249306816 131121469 /nfs/dbraw/zinc/12/14/69/131121469.db2.gz JUFJIXBKSYYNAC-APIJFGDWSA-N 2 0 295.496 2.669 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000249384329 131121528 /nfs/dbraw/zinc/12/15/28/131121528.db2.gz XCTSBUYTKOUMQX-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251042817 131128669 /nfs/dbraw/zinc/12/86/69/131128669.db2.gz MODWSSHKGHMYJX-IRXDYDNUSA-N 2 0 276.399 2.893 20 0 CFADRP CC(C)([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000263302502 131289392 /nfs/dbraw/zinc/28/93/92/131289392.db2.gz ZXOWXUCTTDMYTF-UHFFFAOYSA-N 2 0 289.423 2.738 20 0 CFADRP COCC[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000263862674 131347990 /nfs/dbraw/zinc/34/79/90/131347990.db2.gz WRWJFHMEXKLMNU-HNNXBMFYSA-N 2 0 294.439 2.532 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)C1CC[NH+](C)CC1 ZINC000683695025 542711982 /nfs/dbraw/zinc/71/19/82/542711982.db2.gz YPWBQKMEMHGEQB-CQSZACIVSA-N 2 0 287.451 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)C1 ZINC000268751165 132061331 /nfs/dbraw/zinc/06/13/31/132061331.db2.gz CLBXYJVATZKADL-JKSUJKDBSA-N 2 0 298.434 2.865 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CCOC)cc1 ZINC000268820895 132071608 /nfs/dbraw/zinc/07/16/08/132071608.db2.gz OBYZDJXQELOZAE-HNNXBMFYSA-N 2 0 294.439 2.704 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000268843293 132075830 /nfs/dbraw/zinc/07/58/30/132075830.db2.gz NZQSYKZUGMSUQI-NXHRZFHOSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccsc1 ZINC000268912308 132087410 /nfs/dbraw/zinc/08/74/10/132087410.db2.gz NBIVLWGSCDEYQP-UKRRQHHQSA-N 2 0 282.453 2.636 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1C ZINC000401009244 296486585 /nfs/dbraw/zinc/48/65/85/296486585.db2.gz GDQLQQGXGRHXKQ-FWXGHANASA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372777096 393456877 /nfs/dbraw/zinc/45/68/77/393456877.db2.gz SFCXOQAUHYFBDN-YESZJQIVSA-N 2 0 280.456 2.822 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000373772353 393471385 /nfs/dbraw/zinc/47/13/85/393471385.db2.gz TZGKRSRZBPQKBX-IKGGRYGDSA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000374374037 393495997 /nfs/dbraw/zinc/49/59/97/393495997.db2.gz KSTVZFKJRBNHHW-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cs1 ZINC000310151349 393519229 /nfs/dbraw/zinc/51/92/29/393519229.db2.gz FWWNAHFCLJYSKQ-LBPRGKRZSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000036908001 393525445 /nfs/dbraw/zinc/52/54/45/393525445.db2.gz WFTRNIMWEPNYCE-AHCXZYCDSA-N 2 0 289.467 2.608 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCCC2 ZINC000378454831 393545833 /nfs/dbraw/zinc/54/58/33/393545833.db2.gz LOLDIVPORUBZOM-SJORKVTESA-N 2 0 292.467 2.966 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1COc2ccccc21 ZINC000185604028 393534897 /nfs/dbraw/zinc/53/48/97/393534897.db2.gz DUQPKDZYPOVSQT-GOEBONIOSA-N 2 0 274.408 2.627 20 0 CFADRP CC[NH+]1CCC(NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000037901077 393537523 /nfs/dbraw/zinc/53/75/23/393537523.db2.gz ACQAXBVKJPWDQO-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000421852438 285548813 /nfs/dbraw/zinc/54/88/13/285548813.db2.gz IFSSLVRZKAVONB-QGZVFWFLSA-N 2 0 299.462 2.793 20 0 CFADRP CO[C@@H](C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000380906310 393558963 /nfs/dbraw/zinc/55/89/63/393558963.db2.gz OEMFIRBFRUHDHO-HOTGVXAUSA-N 2 0 264.413 2.679 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)c1ccccc1F ZINC000383746440 393575944 /nfs/dbraw/zinc/57/59/44/393575944.db2.gz LKVQDYYOSRFRGJ-UONOGXRCSA-N 2 0 282.403 2.520 20 0 CFADRP Cc1cccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000235743264 413069802 /nfs/dbraw/zinc/06/98/02/413069802.db2.gz PHMGIAFSMQXBLE-IRXDYDNUSA-N 2 0 287.451 2.505 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400221049 393599866 /nfs/dbraw/zinc/59/98/66/393599866.db2.gz WWQKUEAKCRDQTO-FUHWJXTLSA-N 2 0 288.435 2.523 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(O)cc1 ZINC000387312199 393590048 /nfs/dbraw/zinc/59/00/48/393590048.db2.gz LJSTYSVBFRUXIS-UHFFFAOYSA-N 2 0 250.386 2.602 20 0 CFADRP C1=CO[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000194078973 393677025 /nfs/dbraw/zinc/67/70/25/393677025.db2.gz NQUQDGMSPRXMGG-XIRDDKMYSA-N 2 0 276.424 2.628 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411177014 393679542 /nfs/dbraw/zinc/67/95/42/393679542.db2.gz GTFFWSONMVFLQH-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP CCC[N@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411171131 393680132 /nfs/dbraw/zinc/68/01/32/393680132.db2.gz YOTRRCXEFQFKQH-UHFFFAOYSA-N 2 0 290.451 2.877 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000336586818 393742389 /nfs/dbraw/zinc/74/23/89/393742389.db2.gz OKQUOTRTXJKZEJ-SWLSCSKDSA-N 2 0 268.470 2.735 20 0 CFADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1(CO)CC1 ZINC000411725645 393742749 /nfs/dbraw/zinc/74/27/49/393742749.db2.gz HGUKXPULUVREOJ-UHFFFAOYSA-N 2 0 288.435 2.629 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000221349228 393762070 /nfs/dbraw/zinc/76/20/70/393762070.db2.gz RAHCTMFJNVENQV-DYVFJYSZSA-N 2 0 274.408 2.614 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1Cc2ccccc2C1 ZINC000203784380 393749728 /nfs/dbraw/zinc/74/97/28/393749728.db2.gz SBJKGIVCJUBWPT-MRXNPFEDSA-N 2 0 258.409 2.570 20 0 CFADRP Oc1cccc2c(NC3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000684568327 542828556 /nfs/dbraw/zinc/82/85/56/542828556.db2.gz RIEGKKIKNIRWQC-UHFFFAOYSA-N 2 0 283.375 2.979 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000337246682 393755966 /nfs/dbraw/zinc/75/59/66/393755966.db2.gz HQMZBGAFHVTAJU-HUUCEWRRSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H](O)CC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411310059 393697480 /nfs/dbraw/zinc/69/74/80/393697480.db2.gz KTSXUKRGKNGOLP-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@]1(O)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411337873 393701616 /nfs/dbraw/zinc/70/16/16/393701616.db2.gz VZNVSERLQZZXTL-SFHVURJKSA-N 2 0 288.435 2.629 20 0 CFADRP C[C@@H]([NH2+]CCc1cncs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514495 393720852 /nfs/dbraw/zinc/72/08/52/393720852.db2.gz GLOPHWNSSVIXPH-KGLIPLIRSA-N 2 0 293.480 2.928 20 0 CFADRP Oc1cccc2c(N3CC[NH+](C4CCC4)CC3)cc[nH+]c12 ZINC000684574865 542829892 /nfs/dbraw/zinc/82/98/92/542829892.db2.gz GQFSKLJYBKJLSC-UHFFFAOYSA-N 2 0 283.375 2.615 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)oc1C ZINC000337514812 393767975 /nfs/dbraw/zinc/76/79/75/393767975.db2.gz LBMWATYYBOTQPE-HOCLYGCPSA-N 2 0 294.439 2.784 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226438937 393770842 /nfs/dbraw/zinc/77/08/42/393770842.db2.gz RUKOEGFPYRAWOC-IAGOWNOFSA-N 2 0 260.425 2.939 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227872132 393773738 /nfs/dbraw/zinc/77/37/38/393773738.db2.gz AEIQZKPKCZMFOJ-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000229664193 393777681 /nfs/dbraw/zinc/77/76/81/393777681.db2.gz SUUVTNDPMYBXIV-SWLSCSKDSA-N 2 0 257.381 2.740 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000090720668 393780904 /nfs/dbraw/zinc/78/09/04/393780904.db2.gz GGXPJCAMFCUKKA-ZFWWWQNUSA-N 2 0 269.392 2.807 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424339938 393836178 /nfs/dbraw/zinc/83/61/78/393836178.db2.gz FJQRFCIIWRYRJM-LLVKDONJSA-N 2 0 280.416 2.884 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000236661305 393786091 /nfs/dbraw/zinc/78/60/91/393786091.db2.gz WTZCFLRZDVTAPD-OAHLLOKOSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+][C@@H](CCc1nc(C2([NH3+])CCC2)no1)CC1CCCCC1 ZINC000424339770 393836459 /nfs/dbraw/zinc/83/64/59/393836459.db2.gz QYPSOGHESCTIGL-ZDUSSCGKSA-N 2 0 292.427 2.638 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@H]1OC ZINC000414203645 393797175 /nfs/dbraw/zinc/79/71/75/393797175.db2.gz ZQAUKKPZGSQRDI-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414677827 393802581 /nfs/dbraw/zinc/80/25/81/393802581.db2.gz PMOGEBKEKPREHL-CKEIUWERSA-N 2 0 292.398 2.587 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597467 393803365 /nfs/dbraw/zinc/80/33/65/393803365.db2.gz SLLCCFWYXOCRIC-CQSZACIVSA-N 2 0 264.438 2.974 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCO1 ZINC000414772809 393805802 /nfs/dbraw/zinc/80/58/02/393805802.db2.gz CMVCALVAXPNJSS-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424263233 393806677 /nfs/dbraw/zinc/80/66/77/393806677.db2.gz RJKJNVPBPNYFNM-GEEKYZPCSA-N 2 0 268.445 2.512 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000414844112 393806692 /nfs/dbraw/zinc/80/66/92/393806692.db2.gz RAHPOTHSJQJTAG-BLLLJJGKSA-N 2 0 278.827 2.787 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000415035593 393810303 /nfs/dbraw/zinc/81/03/03/393810303.db2.gz KXBJJWGVSOCGCZ-LMSBXDPUSA-N 2 0 287.451 2.539 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415004065 393810422 /nfs/dbraw/zinc/81/04/22/393810422.db2.gz HGEWVZIDYDQWPN-CAOSSQGBSA-N 2 0 250.430 2.789 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415080498 393811008 /nfs/dbraw/zinc/81/10/08/393811008.db2.gz LTROBPVQVUPWAJ-KRWDZBQOSA-N 2 0 276.424 2.662 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000415069940 393811074 /nfs/dbraw/zinc/81/10/74/393811074.db2.gz PREOHLWVDLOTKL-BPQIPLTHSA-N 2 0 287.451 2.554 20 0 CFADRP CCOCCC1(C[NH2+]CC[NH2+]C(C)(C)C)CCCC1 ZINC000415076748 393811093 /nfs/dbraw/zinc/81/10/93/393811093.db2.gz BCPPBIIANFHTRK-UHFFFAOYSA-N 2 0 270.461 2.951 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415092716 393812688 /nfs/dbraw/zinc/81/26/88/393812688.db2.gz AVXZCOULUGDFDJ-BBWFWOEESA-N 2 0 276.424 2.727 20 0 CFADRP COCc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424282788 393813450 /nfs/dbraw/zinc/81/34/50/393813450.db2.gz ANAHLMNWGPEZPW-HNNXBMFYSA-N 2 0 288.435 2.797 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424283535 393813545 /nfs/dbraw/zinc/81/35/45/393813545.db2.gz BAHIMJKWFURXAS-TUUVXOQKSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424332358 393832975 /nfs/dbraw/zinc/83/29/75/393832975.db2.gz SVOJSQQFKUGOQF-DRANZPFZSA-N 2 0 276.399 2.942 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000111695635 393886916 /nfs/dbraw/zinc/88/69/16/393886916.db2.gz INYJVDRCUJKSLV-DZGCQCFKSA-N 2 0 269.392 2.794 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000343992081 393892645 /nfs/dbraw/zinc/89/26/45/393892645.db2.gz RDBCDMFXQDRKCG-KKUMJFAQSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000468559352 393896283 /nfs/dbraw/zinc/89/62/83/393896283.db2.gz HNWJCWXAQMMBLC-CVEARBPZSA-N 2 0 282.472 2.636 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000344606622 393901264 /nfs/dbraw/zinc/90/12/64/393901264.db2.gz FGAIDPKBLQIOBJ-MBNYWOFBSA-N 2 0 252.427 2.875 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000116387077 393907731 /nfs/dbraw/zinc/90/77/31/393907731.db2.gz ILHJOIZDMPXZQN-KRWDZBQOSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424369121 393840854 /nfs/dbraw/zinc/84/08/54/393840854.db2.gz QRLWSEKWDFSWMX-DZOHQFGASA-N 2 0 287.451 2.681 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000340285798 393841089 /nfs/dbraw/zinc/84/10/89/393841089.db2.gz CBRUQUUGTBFLCQ-MSOLQXFVSA-N 2 0 295.515 2.913 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424382157 393842963 /nfs/dbraw/zinc/84/29/63/393842963.db2.gz ZYRWKWPNGKAMLZ-IXDOHACOSA-N 2 0 274.408 2.932 20 0 CFADRP CCC1(CC)C[N@H+](CC2CC[NH2+]CC2)CCS1 ZINC000261789304 393950685 /nfs/dbraw/zinc/95/06/85/393950685.db2.gz GADURSHMKBXPAC-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000429001130 393932694 /nfs/dbraw/zinc/93/26/94/393932694.db2.gz UFWHEXCXRHVGPM-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCCOC(C)(C)C)C2)C1 ZINC000429015085 393934231 /nfs/dbraw/zinc/93/42/31/393934231.db2.gz WYTZHXMHIVVSRR-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP OC[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417362942 393951090 /nfs/dbraw/zinc/95/10/90/393951090.db2.gz KIGAOUHEWQQUHM-IKGGRYGDSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000474480563 393943621 /nfs/dbraw/zinc/94/36/21/393943621.db2.gz DTWFCHPLCULPNJ-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000474482915 393943911 /nfs/dbraw/zinc/94/39/11/393943911.db2.gz QDZOHUBJZVUTDP-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474892389 393947497 /nfs/dbraw/zinc/94/74/97/393947497.db2.gz JGFUQMXEZPUVEK-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261583200 393947913 /nfs/dbraw/zinc/94/79/13/393947913.db2.gz HBSUFUCQHGFQFK-DLBZAZTESA-N 2 0 258.409 2.851 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000261648758 393949095 /nfs/dbraw/zinc/94/90/95/393949095.db2.gz QZVOBYWWYOTKCO-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)CC(C)C ZINC000417359702 393949857 /nfs/dbraw/zinc/94/98/57/393949857.db2.gz JCGUAYTZYXRQIV-HNNXBMFYSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000352608111 394016421 /nfs/dbraw/zinc/01/64/21/394016421.db2.gz FSHHUNAUDPAMRW-OAGGEKHMSA-N 2 0 268.445 2.608 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000121756177 393959418 /nfs/dbraw/zinc/95/94/18/393959418.db2.gz ZJZYPRUYNXMPSD-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP c1cn(Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)cn1 ZINC000486942821 393973305 /nfs/dbraw/zinc/97/33/05/393973305.db2.gz UMMQSJGPPBDSCL-INIZCTEOSA-N 2 0 287.432 2.774 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126254042 394024379 /nfs/dbraw/zinc/02/43/79/394024379.db2.gz GXNVRBCTEBMVIU-CXAGYDPISA-N 2 0 258.409 2.851 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCOC1 ZINC000123692550 393986296 /nfs/dbraw/zinc/98/62/96/393986296.db2.gz BSZDYXJZUZJAIT-IRXDYDNUSA-N 2 0 276.424 2.653 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000126316192 394025616 /nfs/dbraw/zinc/02/56/16/394025616.db2.gz KTVRXEOFJSHCMF-MRXNPFEDSA-N 2 0 274.408 2.832 20 0 CFADRP Cc1ccc(SCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000430613327 393999222 /nfs/dbraw/zinc/99/92/22/393999222.db2.gz VUCZVBOBKONEIG-UHFFFAOYSA-N 2 0 264.438 2.819 20 0 CFADRP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272387123 394026947 /nfs/dbraw/zinc/02/69/47/394026947.db2.gz CIBBZYSWXVQBMS-FUHWJXTLSA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000354166171 394042205 /nfs/dbraw/zinc/04/22/05/394042205.db2.gz JDRRXECBGUYFCZ-BBWFWOEESA-N 2 0 280.456 2.609 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](CC)CC1 ZINC000354467102 394047174 /nfs/dbraw/zinc/04/71/74/394047174.db2.gz RSDSLFQWKLPGTQ-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000130068986 394101097 /nfs/dbraw/zinc/10/10/97/394101097.db2.gz RBFPBBQROWNPPJ-RDBSUJKOSA-N 2 0 292.423 2.837 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCc2ccc(C)nc2)C1 ZINC000437341711 394053941 /nfs/dbraw/zinc/05/39/41/394053941.db2.gz HKDDWJXXUWPJMK-CVEARBPZSA-N 2 0 290.407 2.644 20 0 CFADRP CC1(C)CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000127769577 394055468 /nfs/dbraw/zinc/05/54/68/394055468.db2.gz VCTHLAIROQMDMB-DZGCQCFKSA-N 3 0 279.472 2.512 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000128028176 394061193 /nfs/dbraw/zinc/06/11/93/394061193.db2.gz XMKKKHUULDTNEA-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP COc1cccc(OC)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000419725124 394061782 /nfs/dbraw/zinc/06/17/82/394061782.db2.gz FUVCTEMPSANJAV-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437781113 394074714 /nfs/dbraw/zinc/07/47/14/394074714.db2.gz FGIXJMOSFVYBRY-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCO1 ZINC000356973427 394082506 /nfs/dbraw/zinc/08/25/06/394082506.db2.gz BCACLUUICUDHIZ-VQHPVUNQSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC000356998155 394083075 /nfs/dbraw/zinc/08/30/75/394083075.db2.gz SQGXLPAPKHNTSG-IKGGRYGDSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000353431180 394029985 /nfs/dbraw/zinc/02/99/85/394029985.db2.gz LEVAJZULUDFVPY-XHSDSOJGSA-N 2 0 297.487 2.532 20 0 CFADRP CCc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000420252134 394105775 /nfs/dbraw/zinc/10/57/75/394105775.db2.gz AHIBVNVZJHVGQA-ZIAGYGMSSA-N 2 0 281.403 2.843 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381772 394118568 /nfs/dbraw/zinc/11/85/68/394118568.db2.gz CPUQESFBQDYKRT-RDJZCZTQSA-N 2 0 274.408 2.529 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCOc1c(C)cccc1C ZINC000420384634 394119684 /nfs/dbraw/zinc/11/96/84/394119684.db2.gz DTFORQKKYBUHDY-UHFFFAOYSA-N 2 0 264.413 2.614 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(CN3CCOCC3)cc2)[C@@H]1C ZINC000420919625 394126085 /nfs/dbraw/zinc/12/60/85/394126085.db2.gz ZOVHIWMTGOWSIV-HZPDHXFCSA-N 2 0 288.435 2.749 20 0 CFADRP CC[C@H]1CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919434 394126397 /nfs/dbraw/zinc/12/63/97/394126397.db2.gz ZDLUXAAFWABMMR-INIZCTEOSA-N 2 0 288.435 2.751 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420919483 394126458 /nfs/dbraw/zinc/12/64/58/394126458.db2.gz ZJMCGNHBEKSDDU-JKSUJKDBSA-N 2 0 288.435 2.749 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1(C)C ZINC000442888125 394140415 /nfs/dbraw/zinc/14/04/15/394140415.db2.gz FBAKWCFGCKTCTF-IAGOWNOFSA-N 2 0 293.499 2.571 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000359948575 394143014 /nfs/dbraw/zinc/14/30/14/394143014.db2.gz BVXRTCBRRZXZPE-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)c1ccccc1 ZINC000132664744 394160269 /nfs/dbraw/zinc/16/02/69/394160269.db2.gz WCHVUHBMVHDOFG-MSOLQXFVSA-N 2 0 287.451 2.681 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000360840780 394160688 /nfs/dbraw/zinc/16/06/88/394160688.db2.gz OYTGVMVAECODDN-NVXWUHKLSA-N 2 0 272.436 2.956 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000133121409 394169458 /nfs/dbraw/zinc/16/94/58/394169458.db2.gz QBNKSBAHFOODNP-UAGQMJEPSA-N 2 0 283.504 2.673 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)[C@@H](C)C1 ZINC000363787292 394200594 /nfs/dbraw/zinc/20/05/94/394200594.db2.gz UIUDZVMUPUVEAO-WMLDXEAASA-N 2 0 298.434 2.897 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422812988 394256088 /nfs/dbraw/zinc/25/60/88/394256088.db2.gz YTYGJQKMNTWDBE-QRTARXTBSA-N 2 0 258.409 2.837 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000421371108 394206626 /nfs/dbraw/zinc/20/66/26/394206626.db2.gz JVFSWNHRUMKROP-ONEGZZNKSA-N 2 0 259.397 2.557 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000421377461 394209913 /nfs/dbraw/zinc/20/99/13/394209913.db2.gz RTXAUMHGJIEWPB-UHFFFAOYSA-N 2 0 273.380 2.790 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422834966 394256533 /nfs/dbraw/zinc/25/65/33/394256533.db2.gz IAGYIJWSSGVKTO-MSOLQXFVSA-N 3 0 295.515 2.865 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2c(F)ccc(O)c2F)CC1 ZINC000421380322 394210341 /nfs/dbraw/zinc/21/03/41/394210341.db2.gz YPBQDFCUIPXKRS-UHFFFAOYSA-N 2 0 284.350 2.633 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000421382536 394213353 /nfs/dbraw/zinc/21/33/53/394213353.db2.gz XYEBKGBONJFPOC-UHFFFAOYSA-N 2 0 290.455 2.961 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)CC(C)(C)C ZINC000449223018 394256795 /nfs/dbraw/zinc/25/67/95/394256795.db2.gz NLANPGPFCYYUDR-ZIAGYGMSSA-N 2 0 258.450 2.758 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449110558 394215952 /nfs/dbraw/zinc/21/59/52/394215952.db2.gz DXSJQUFLOKEZCH-AWEZNQCLSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C1CCOCC1 ZINC000422815188 394256928 /nfs/dbraw/zinc/25/69/28/394256928.db2.gz XFHQRBLWZWFQAX-SUMWQHHRSA-N 2 0 291.439 2.705 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)C1CCC1 ZINC000449110614 394216558 /nfs/dbraw/zinc/21/65/58/394216558.db2.gz FJBNSIYCQMZETJ-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C12CCCC2 ZINC000422813227 394256935 /nfs/dbraw/zinc/25/69/35/394256935.db2.gz YXZXOLVPDHLGCM-FJBKBRRZSA-N 2 0 280.456 2.831 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449112800 394217196 /nfs/dbraw/zinc/21/71/96/394217196.db2.gz SUPDFWOWNZMMCT-HLLBOEOZSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449127411 394222366 /nfs/dbraw/zinc/22/23/66/394222366.db2.gz WMTQOFXOZQADIB-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccsc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000290602964 394231662 /nfs/dbraw/zinc/23/16/62/394231662.db2.gz VZRCMYJWUMDTMW-ZIAGYGMSSA-N 2 0 264.438 2.973 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893620 394258227 /nfs/dbraw/zinc/25/82/27/394258227.db2.gz AKWHFBKEJPGJBV-VXGBXAGGSA-N 2 0 250.361 2.573 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000421821358 394243576 /nfs/dbraw/zinc/24/35/76/394243576.db2.gz RAOORFDNCHVGQI-YESZJQIVSA-N 2 0 285.435 2.545 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449195921 394249036 /nfs/dbraw/zinc/24/90/36/394249036.db2.gz WZKTUENMRDZXSG-OWCLPIDISA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422706427 394253355 /nfs/dbraw/zinc/25/33/55/394253355.db2.gz DZKQFZHIRGPQFE-JQFCIGGWSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422741727 394253957 /nfs/dbraw/zinc/25/39/57/394253957.db2.gz QGGSBUSMXCNYFK-YJBOKZPZSA-N 2 0 287.451 2.776 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422749868 394254071 /nfs/dbraw/zinc/25/40/71/394254071.db2.gz BFTVRFUIZPOOMD-DAXOMENPSA-N 2 0 262.397 2.926 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[C@@H]2COCCN2)cc1F ZINC000134098698 394188858 /nfs/dbraw/zinc/18/88/58/394188858.db2.gz YXSWBIRMBLFCSL-UMVBOHGHSA-N 2 0 280.387 2.552 20 0 CFADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421329264 394189237 /nfs/dbraw/zinc/18/92/37/394189237.db2.gz VAWGBZQEJBYNSY-QGZVFWFLSA-N 2 0 294.483 2.782 20 0 CFADRP CC[C@@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771627 394255230 /nfs/dbraw/zinc/25/52/30/394255230.db2.gz XNIGPRPHBOCRML-XHSDSOJGSA-N 2 0 281.488 2.617 20 0 CFADRP COc1cc(C)ccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000449232372 394260735 /nfs/dbraw/zinc/26/07/35/394260735.db2.gz UCOLJKHNONFXCN-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1c[nH+]ccc1N ZINC000423064362 394261962 /nfs/dbraw/zinc/26/19/62/394261962.db2.gz RGQUNRHBWJHRDT-ZUZCIYMTSA-N 2 0 287.338 2.808 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423072219 394263034 /nfs/dbraw/zinc/26/30/34/394263034.db2.gz PKMXVGJYCPFIAX-LSDHHAIUSA-N 2 0 270.461 2.828 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423070818 394263377 /nfs/dbraw/zinc/26/33/77/394263377.db2.gz DNWICTRJBNPZRL-CYBMUJFWSA-N 2 0 261.413 2.568 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423074466 394264651 /nfs/dbraw/zinc/26/46/51/394264651.db2.gz USVDBHQXGXPEEF-GOEBONIOSA-N 2 0 260.425 2.699 20 0 CFADRP CCO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423085287 394267634 /nfs/dbraw/zinc/26/76/34/394267634.db2.gz JRWJBBUBNJLCCS-WFVVYAPDSA-N 2 0 274.408 2.637 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000423089187 394268622 /nfs/dbraw/zinc/26/86/22/394268622.db2.gz UOKFEEMKANIPBP-KEPFICHZSA-N 2 0 268.445 2.545 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000423092738 394269370 /nfs/dbraw/zinc/26/93/70/394269370.db2.gz DDVFUXNDQGILJS-ZFWWWQNUSA-N 2 0 293.455 2.687 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000423092735 394269727 /nfs/dbraw/zinc/26/97/27/394269727.db2.gz DDVFUXNDQGILJS-DZGCQCFKSA-N 2 0 293.455 2.687 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423116825 394270323 /nfs/dbraw/zinc/27/03/23/394270323.db2.gz RRSTZGIDOHTFSC-JONQDZQNSA-N 2 0 260.381 2.678 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1=CCCC1 ZINC000423158944 394272166 /nfs/dbraw/zinc/27/21/66/394272166.db2.gz DTKONDYLJWLIIX-BRWVUGGUSA-N 2 0 292.467 2.870 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCCCC1 ZINC000423179909 394272716 /nfs/dbraw/zinc/27/27/16/394272716.db2.gz MYAVLSUROPGXTG-OWCLPIDISA-N 2 0 280.456 2.833 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H](C)O1 ZINC000423196335 394272761 /nfs/dbraw/zinc/27/27/61/394272761.db2.gz ZPEAODYIHUJZST-ASUKHRCTSA-N 2 0 260.381 2.534 20 0 CFADRP c1cncc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423246814 394274787 /nfs/dbraw/zinc/27/47/87/394274787.db2.gz KGTJYANJPRVATK-XJKSGUPXSA-N 2 0 259.397 2.512 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000423332300 394278275 /nfs/dbraw/zinc/27/82/75/394278275.db2.gz QTXMBKSNUPVGPP-JTQLQIEISA-N 2 0 280.803 2.616 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423365953 394278572 /nfs/dbraw/zinc/27/85/72/394278572.db2.gz KYBKICKTIFQEBT-RRFJBIMHSA-N 2 0 284.407 2.793 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423366005 394278797 /nfs/dbraw/zinc/27/87/97/394278797.db2.gz LCRVOVKCRWMKKL-GYSYKLTISA-N 2 0 278.371 2.681 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423399794 394279915 /nfs/dbraw/zinc/27/99/15/394279915.db2.gz VCKNTLOGBMPELK-CYZMBNFOSA-N 2 0 297.468 2.561 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423413033 394280409 /nfs/dbraw/zinc/28/04/09/394280409.db2.gz JHXJKNRVHQJLNW-HBUWYVDXSA-N 2 0 287.451 2.863 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423489370 394283522 /nfs/dbraw/zinc/28/35/22/394283522.db2.gz WHEMXFWWCBVCPY-XIRDDKMYSA-N 2 0 276.424 2.884 20 0 CFADRP C(C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000423478777 394283642 /nfs/dbraw/zinc/28/36/42/394283642.db2.gz LMAQATDONSESCC-LTIDMASMSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H](C)C2 ZINC000423507458 394285501 /nfs/dbraw/zinc/28/55/01/394285501.db2.gz MTYJIRIAQJKQSP-GKLJAUDBSA-N 2 0 258.409 2.945 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1C[C@H]1C ZINC000423515558 394287424 /nfs/dbraw/zinc/28/74/24/394287424.db2.gz AFLNKHLBDTUINL-RWTWZDQKSA-N 2 0 262.441 2.774 20 0 CFADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423515855 394288044 /nfs/dbraw/zinc/28/80/44/394288044.db2.gz VXKBUYRLYAPHJL-GQGLESIBSA-N 2 0 293.499 2.617 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423521544 394289012 /nfs/dbraw/zinc/28/90/12/394289012.db2.gz GERJILYOUYBYBM-LBPRGKRZSA-N 2 0 279.453 2.815 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000450267439 394289075 /nfs/dbraw/zinc/28/90/75/394289075.db2.gz XCQSCHDCJCJIIV-QZTJIDSGSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000450267438 394289397 /nfs/dbraw/zinc/28/93/97/394289397.db2.gz XCQSCHDCJCJIIV-MSOLQXFVSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1CCOCC1 ZINC000423530647 394291123 /nfs/dbraw/zinc/29/11/23/394291123.db2.gz ROXNXOJMDFXKPP-IPQZGBMFSA-N 2 0 292.467 2.545 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533010 394292176 /nfs/dbraw/zinc/29/21/76/394292176.db2.gz WIUJABWBMRCDIM-MMLUDYIGSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C1C(C)(C)C1(C)C ZINC000423535596 394292946 /nfs/dbraw/zinc/29/29/46/394292946.db2.gz DNMHQFOXGAWLPE-GFCCVEGCSA-N 2 0 250.430 2.957 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423540106 394293744 /nfs/dbraw/zinc/29/37/44/394293744.db2.gz CXCLYPVLLVTNBJ-UHDSXZAQSA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423538978 394294195 /nfs/dbraw/zinc/29/41/95/394294195.db2.gz OGPYNMIQTBGXPL-CVEARBPZSA-N 2 0 280.456 2.726 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423543361 394294654 /nfs/dbraw/zinc/29/46/54/394294654.db2.gz BQMSJOAEQJHPHK-OAHLLOKOSA-N 2 0 278.371 2.553 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423556911 394297370 /nfs/dbraw/zinc/29/73/70/394297370.db2.gz NAHSDHADZSEDPN-LSDHHAIUSA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000423701041 394310946 /nfs/dbraw/zinc/31/09/46/394310946.db2.gz USRGGXLIHYCOOQ-MRXNPFEDSA-N 2 0 287.407 2.526 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCCN1C(C)C)[C@@H]1CCCO1 ZINC000450727518 394328333 /nfs/dbraw/zinc/32/83/33/394328333.db2.gz MPVJMHFPSHVCMY-PMPSAXMXSA-N 2 0 268.445 2.797 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157378799 394344524 /nfs/dbraw/zinc/34/45/24/394344524.db2.gz NJCKFELVKQGSAL-QZTJIDSGSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cncc(F)c2)C1 ZINC000494615999 394360773 /nfs/dbraw/zinc/36/07/73/394360773.db2.gz XSYHRQBZOQRNJV-AWEZNQCLSA-N 2 0 279.403 2.822 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)c1ccccn1 ZINC000158978300 394362686 /nfs/dbraw/zinc/36/26/86/394362686.db2.gz TWAFDKOKKGIYDP-JKSUJKDBSA-N 2 0 291.439 2.623 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000453376715 394392371 /nfs/dbraw/zinc/39/23/71/394392371.db2.gz YTHDAVHYBQPLTO-GRDNDAEWSA-N 2 0 278.415 2.995 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159286368 394365161 /nfs/dbraw/zinc/36/51/61/394365161.db2.gz MKNYXRWXBTUXBZ-HOTGVXAUSA-N 2 0 269.392 2.637 20 0 CFADRP F[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@@H](F)C2)C1 ZINC000451202351 394368183 /nfs/dbraw/zinc/36/81/83/394368183.db2.gz XEASLOPYZAMNAN-HZPDHXFCSA-N 2 0 280.362 2.774 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000453387001 394394264 /nfs/dbraw/zinc/39/42/64/394394264.db2.gz AQIZOYXZBZMVGD-GVDBMIGSSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000453104915 394381676 /nfs/dbraw/zinc/38/16/76/394381676.db2.gz VTVAFIOUAFJKEY-FGTMMUONSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000525640076 394382755 /nfs/dbraw/zinc/38/27/55/394382755.db2.gz OFCRGFYPWWPASH-UHFFFAOYSA-N 2 0 296.499 2.980 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453306912 394383668 /nfs/dbraw/zinc/38/36/68/394383668.db2.gz KJXVEUPELGYEEE-KBAYOESNSA-N 2 0 287.451 2.785 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453306910 394383845 /nfs/dbraw/zinc/38/38/45/394383845.db2.gz KJXVEUPELGYEEE-CGTJXYLNSA-N 2 0 287.451 2.785 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527646700 394395407 /nfs/dbraw/zinc/39/54/07/394395407.db2.gz WVRPCUGVTMTOPK-XRGAULLZSA-N 2 0 250.430 2.743 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393851 394395783 /nfs/dbraw/zinc/39/57/83/394395783.db2.gz GNNLKTRMQAAAAS-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CCOCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821360 135077548 /nfs/dbraw/zinc/07/75/48/135077548.db2.gz JKATYNDCEGBHKC-UHFFFAOYSA-N 2 0 291.439 2.656 20 0 CFADRP COCC1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000453405242 394398428 /nfs/dbraw/zinc/39/84/28/394398428.db2.gz QEQRVOXVBHODLV-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1(CCO)CCCCC1)C1CC[NH+](C)CC1 ZINC000165695370 542895922 /nfs/dbraw/zinc/89/59/22/542895922.db2.gz NNIFGMRCLYTOQD-OAHLLOKOSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC000453406894 394398578 /nfs/dbraw/zinc/39/85/78/394398578.db2.gz GBOUIGBKYYQURK-AWEZNQCLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)O1 ZINC000453407689 394398996 /nfs/dbraw/zinc/39/89/96/394398996.db2.gz MJKUPHNZIOSNDQ-RHSMWYFYSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000453437831 394403729 /nfs/dbraw/zinc/40/37/29/394403729.db2.gz VFLICXHAFVCNKE-UHFFFAOYSA-N 2 0 260.372 2.884 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(O)cc1 ZINC000685462523 542918588 /nfs/dbraw/zinc/91/85/88/542918588.db2.gz DSFOPRNSCPDTSQ-UHFFFAOYSA-N 2 0 250.386 2.556 20 0 CFADRP COC1(C[NH2+]C[C@H]2CCN2C2CCCC2)CCCC1 ZINC000527812520 394412016 /nfs/dbraw/zinc/41/20/16/394412016.db2.gz USXULTVXDKAYSQ-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC12CC2 ZINC000527857051 394417547 /nfs/dbraw/zinc/41/75/47/394417547.db2.gz ZDVGREFZIKVHSW-GOEBONIOSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CC12CC2 ZINC000527892589 394422187 /nfs/dbraw/zinc/42/21/87/394422187.db2.gz KNUYQDRRKBNNCU-ZIAGYGMSSA-N 2 0 250.430 2.887 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000527924381 394426203 /nfs/dbraw/zinc/42/62/03/394426203.db2.gz HEOOWAQOVWINJF-XHSDSOJGSA-N 2 0 262.441 2.887 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527953004 394430887 /nfs/dbraw/zinc/43/08/87/394430887.db2.gz VNUYFZAEZQOPCQ-GOSISDBHSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccnc1 ZINC000528015497 394439471 /nfs/dbraw/zinc/43/94/71/394439471.db2.gz XZWJOALBBLCAAJ-CJNGLKHVSA-N 2 0 259.397 2.749 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)C1 ZINC000527979420 394434766 /nfs/dbraw/zinc/43/47/66/394434766.db2.gz GZZHLIGLQDSSBV-JWFMREHNSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179448 394473323 /nfs/dbraw/zinc/47/33/23/394473323.db2.gz VCWIDOPHGCVZIO-OCCSQVGLSA-N 2 0 264.438 2.943 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179072 394473456 /nfs/dbraw/zinc/47/34/56/394473456.db2.gz PDOKOMOSSPZSQM-NXEZZACHSA-N 2 0 250.308 2.592 20 0 CFADRP COc1cccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])OC)c1 ZINC000530207072 394479920 /nfs/dbraw/zinc/47/99/20/394479920.db2.gz CVZVSRRXEOWDFF-ULQDDVLXSA-N 2 0 292.423 2.632 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCC ZINC000530206621 394480007 /nfs/dbraw/zinc/48/00/07/394480007.db2.gz AXAHPPCFEAJSQF-QKPAOTATSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530208686 394481127 /nfs/dbraw/zinc/48/11/27/394481127.db2.gz GVCMAYLPHAWBHL-GPRLLCNNSA-N 2 0 276.811 2.695 20 0 CFADRP C(C[C@H]1CCCOC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000530207997 394481154 /nfs/dbraw/zinc/48/11/54/394481154.db2.gz FOKZATOCQMTWFO-YYIAUSFCSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCC1(C)C ZINC000530212137 394482062 /nfs/dbraw/zinc/48/20/62/394482062.db2.gz QYUFEIAKXGDGNT-XGUBFFRZSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000530214095 394483013 /nfs/dbraw/zinc/48/30/13/394483013.db2.gz XTMUADKRYIXHQU-BMGDILEWSA-N 2 0 290.451 2.727 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000530218388 394485804 /nfs/dbraw/zinc/48/58/04/394485804.db2.gz FYXWLORKLSJPSR-GDBMZVCRSA-N 2 0 275.371 2.627 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218348 394486449 /nfs/dbraw/zinc/48/64/49/394486449.db2.gz VYEPMIXUKNVWNF-HYVNUMGLSA-N 2 0 285.435 2.982 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000530224782 394489822 /nfs/dbraw/zinc/48/98/22/394489822.db2.gz YMSKKNUWPOXRRK-UONOGXRCSA-N 2 0 293.842 2.947 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000530227752 394491934 /nfs/dbraw/zinc/49/19/34/394491934.db2.gz ZSOPUMCZLAPIPS-CVEARBPZSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530227682 394492190 /nfs/dbraw/zinc/49/21/90/394492190.db2.gz YTBAPQLFTPMPAO-XZKWHVPCSA-N 2 0 260.381 2.533 20 0 CFADRP C[C@H](CN(C)Cc1nc(C(C)(C)[NH3+])no1)C1CCCCC1 ZINC000530233849 394493041 /nfs/dbraw/zinc/49/30/41/394493041.db2.gz JJYMBBVEELRIRJ-GFCCVEGCSA-N 2 0 294.443 2.912 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CC[NH2+]C1 ZINC000530242314 394494303 /nfs/dbraw/zinc/49/43/03/394494303.db2.gz BUCHSJDVPMKUMA-LSDHHAIUSA-N 2 0 264.800 2.917 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000530244712 394495168 /nfs/dbraw/zinc/49/51/68/394495168.db2.gz MXWQPCNTYAFBEH-RDBSUJKOSA-N 2 0 292.423 2.743 20 0 CFADRP C[C@@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000530249048 394496852 /nfs/dbraw/zinc/49/68/52/394496852.db2.gz SYYNPGKUEBPLLM-HOCLYGCPSA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)C2CC2)cn1 ZINC000528042119 394441879 /nfs/dbraw/zinc/44/18/79/394441879.db2.gz DAOJYQGYYGSVBG-YLQAJVPDSA-N 2 0 289.423 2.614 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000536841388 394572639 /nfs/dbraw/zinc/57/26/39/394572639.db2.gz ZWZBLUNQWMIMIZ-HDMKZQKVSA-N 2 0 290.451 2.804 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000539074119 394622237 /nfs/dbraw/zinc/62/22/37/394622237.db2.gz UVSJXHVGDSBFPV-RDTXWAMCSA-N 2 0 272.436 2.721 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000430595294 285586277 /nfs/dbraw/zinc/58/62/77/285586277.db2.gz UCQYRINARWROJB-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C)Cc1ccccc1 ZINC000543446790 394730442 /nfs/dbraw/zinc/73/04/42/394730442.db2.gz LQYYUYKBFQSYEW-HDMKZQKVSA-N 2 0 272.436 2.938 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000541740936 394682902 /nfs/dbraw/zinc/68/29/02/394682902.db2.gz LOZLNFPSGVQYDO-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccn(C)n1 ZINC000544579931 394765728 /nfs/dbraw/zinc/76/57/28/394765728.db2.gz YHVUXZJXVSCAGU-CABCVRRESA-N 2 0 280.460 2.971 20 0 CFADRP COCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000685665232 542940692 /nfs/dbraw/zinc/94/06/92/542940692.db2.gz IABJRWGBJXGFLT-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000166005027 542943209 /nfs/dbraw/zinc/94/32/09/542943209.db2.gz VCBSTMYGFZFSRU-RDJZCZTQSA-N 2 0 294.414 2.759 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1OC ZINC000165978625 542943398 /nfs/dbraw/zinc/94/33/98/542943398.db2.gz FWHNBPGOULWDCA-CYBMUJFWSA-N 2 0 292.423 2.524 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166085394 542945712 /nfs/dbraw/zinc/94/57/12/542945712.db2.gz LQCMAJZFQYVAET-IAGOWNOFSA-N 2 0 270.420 2.935 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166133460 542953487 /nfs/dbraw/zinc/95/34/87/542953487.db2.gz GWQOFCLVUGXDDE-ZHALLVOQSA-N 2 0 299.462 2.729 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnn1-c1ccccc1 ZINC000281532533 542954506 /nfs/dbraw/zinc/95/45/06/542954506.db2.gz IETRXCCPMJBNIC-HNNXBMFYSA-N 2 0 296.418 2.785 20 0 CFADRP COCC1([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483943 394934898 /nfs/dbraw/zinc/93/48/98/394934898.db2.gz HQGXNXKNIMQVCB-WBVHZDCISA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000556166231 394993276 /nfs/dbraw/zinc/99/32/76/394993276.db2.gz KLRNBMCHHFHMPY-ZFWWWQNUSA-N 2 0 250.386 2.531 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000556760072 395012891 /nfs/dbraw/zinc/01/28/91/395012891.db2.gz KJIKRQJUIFQRDB-OIISXLGYSA-N 2 0 258.409 2.722 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCc4ccccc4OC3)ccc12 ZINC000414194989 285590935 /nfs/dbraw/zinc/59/09/35/285590935.db2.gz WKFBOVOMMCRJEN-MRXNPFEDSA-N 2 0 293.370 2.818 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554881669 394961613 /nfs/dbraw/zinc/96/16/13/394961613.db2.gz BTYBOPYOEKUYIQ-ROUUACIJSA-N 2 0 290.451 2.564 20 0 CFADRP Cc1cccc(-c2n[nH]cc2CN(C)CCC[NH+](C)C)c1 ZINC000558415991 395059380 /nfs/dbraw/zinc/05/93/80/395059380.db2.gz GZWPVFIPTODXGD-UHFFFAOYSA-N 2 0 286.423 2.769 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000558968133 395079595 /nfs/dbraw/zinc/07/95/95/395079595.db2.gz BATOWHXHDVOWNY-FUHWJXTLSA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000557702845 395044774 /nfs/dbraw/zinc/04/47/74/395044774.db2.gz PXVXOFQKRSVAFP-BBWFWOEESA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCOC2)c1 ZINC000177979172 543000413 /nfs/dbraw/zinc/00/04/13/543000413.db2.gz RXTRQJSWTWPXDJ-QGZVFWFLSA-N 2 0 276.424 2.795 20 0 CFADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178982597 543004970 /nfs/dbraw/zinc/00/49/70/543004970.db2.gz CWXMVSSOTPYPRO-QGZVFWFLSA-N 2 0 287.451 2.717 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)CCO1 ZINC000648461120 395152996 /nfs/dbraw/zinc/15/29/96/395152996.db2.gz OANUOBIRQPZYNU-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000647248078 395254196 /nfs/dbraw/zinc/25/41/96/395254196.db2.gz YYTQLNCNTFDAGL-ZQDZILKHSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CO1 ZINC000647169089 395194640 /nfs/dbraw/zinc/19/46/40/395194640.db2.gz ZJTYLZBADRJGJF-CRAIPNDOSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CO1 ZINC000647169091 395194722 /nfs/dbraw/zinc/19/47/22/395194722.db2.gz ZJTYLZBADRJGJF-QAPCUYQASA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000648556107 395198269 /nfs/dbraw/zinc/19/82/69/395198269.db2.gz TYZWLMZNNOVXGI-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)CO1 ZINC000647186444 395208849 /nfs/dbraw/zinc/20/88/49/395208849.db2.gz MSWIHVANQANVPQ-NYTXWWLZSA-N 2 0 294.464 2.898 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648590239 395209634 /nfs/dbraw/zinc/20/96/34/395209634.db2.gz TVNOWOCUJIDFOF-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(F)(F)CC1 ZINC000647190518 395212999 /nfs/dbraw/zinc/21/29/99/395212999.db2.gz CTKSUIVNWMOQAR-CYBMUJFWSA-N 2 0 278.387 2.511 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000647196145 395216764 /nfs/dbraw/zinc/21/67/64/395216764.db2.gz QHGNNRWTBXOFQB-UHFFFAOYSA-N 2 0 292.471 2.749 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC(C)(F)F)cc1 ZINC000648608954 395222699 /nfs/dbraw/zinc/22/26/99/395222699.db2.gz VLTOYGUMGMZHFO-UHFFFAOYSA-N 2 0 286.366 2.762 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648731535 395289527 /nfs/dbraw/zinc/28/95/27/395289527.db2.gz WOVWNDNNOOSGCX-CVEARBPZSA-N 2 0 276.424 2.763 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC1 ZINC000647341794 395304289 /nfs/dbraw/zinc/30/42/89/395304289.db2.gz BTNJSSCNXGXVCU-GASCZTMLSA-N 2 0 268.445 2.795 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2CCC(F)CC2)CC1 ZINC000647349445 395308783 /nfs/dbraw/zinc/30/87/83/395308783.db2.gz PPRUSNAFBINCRH-UHFFFAOYSA-N 2 0 256.409 2.979 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4cnccc4c3)C[C@@H]21 ZINC000647511858 395367086 /nfs/dbraw/zinc/36/70/86/395367086.db2.gz NHBJIRCPXXNHPJ-FGTMMUONSA-N 2 0 281.403 2.794 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000647516404 395370489 /nfs/dbraw/zinc/37/04/89/395370489.db2.gz PBHGYFJSNCMVOQ-IRXDYDNUSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CC[NH2+]C1 ZINC000647537832 395380956 /nfs/dbraw/zinc/38/09/56/395380956.db2.gz OUBIOAATEAZNIY-HOTGVXAUSA-N 2 0 260.381 2.529 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000647535797 395381125 /nfs/dbraw/zinc/38/11/25/395381125.db2.gz OQIPNRUEFKODCR-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543077 395384109 /nfs/dbraw/zinc/38/41/09/395384109.db2.gz HJPHATIAFHRYBT-CVEARBPZSA-N 2 0 290.455 2.676 20 0 CFADRP Clc1cscc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000647542580 395384433 /nfs/dbraw/zinc/38/44/33/395384433.db2.gz PQCCPVAFSVAKCU-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543574 395384527 /nfs/dbraw/zinc/38/45/27/395384527.db2.gz PSBWUAZLMFUPNV-KGLIPLIRSA-N 2 0 293.480 2.917 20 0 CFADRP CC(C)(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000647542484 395384780 /nfs/dbraw/zinc/38/47/80/395384780.db2.gz XOVDUICLCUCHTF-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP C(C1CCCC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543652 395385457 /nfs/dbraw/zinc/38/54/57/395385457.db2.gz QVLWSYOCCSTRQV-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544187 395385631 /nfs/dbraw/zinc/38/56/31/395385631.db2.gz XZFLURXEDKVFCE-UONOGXRCSA-N 2 0 294.464 2.968 20 0 CFADRP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543755 395385932 /nfs/dbraw/zinc/38/59/32/395385932.db2.gz RQWIUUFHRCZUOX-HUUCEWRRSA-N 2 0 277.412 2.503 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000647548603 395386776 /nfs/dbraw/zinc/38/67/76/395386776.db2.gz KGKMWYUBWWMMTN-RBSFLKMASA-N 2 0 292.398 2.702 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000647549529 395388473 /nfs/dbraw/zinc/38/84/73/395388473.db2.gz GDEZNSFFCHHHGV-QLFBSQMISA-N 2 0 262.372 2.612 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CNC[C@H](C)C3)CC2)CC1 ZINC000647550888 395389284 /nfs/dbraw/zinc/38/92/84/395389284.db2.gz MXAGSMJGEFALNN-ZLZJIPBDSA-N 2 0 293.499 2.617 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CNC[C@H](C)C3)CC2)CC1 ZINC000647550887 395389540 /nfs/dbraw/zinc/38/95/40/395389540.db2.gz MXAGSMJGEFALNN-RZZCCWGQSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1O ZINC000647551373 395390385 /nfs/dbraw/zinc/39/03/85/395390385.db2.gz LBKUPSADAYLOAU-GVDBMIGSSA-N 2 0 288.435 2.529 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(C2CCC2)s1 ZINC000647552592 395390961 /nfs/dbraw/zinc/39/09/61/395390961.db2.gz JNZOVUFLVDZPQD-VHSXEESVSA-N 2 0 253.415 2.626 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc2n1 ZINC000647552035 395391003 /nfs/dbraw/zinc/39/10/03/395391003.db2.gz BJUPJANGCZJIHR-WCQYABFASA-N 2 0 257.381 2.759 20 0 CFADRP c1ccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647874788 395448913 /nfs/dbraw/zinc/44/89/13/395448913.db2.gz YPGGLEFGZYENHA-SFHVURJKSA-N 2 0 288.435 2.840 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000647878669 395450014 /nfs/dbraw/zinc/45/00/14/395450014.db2.gz WYUALOBIFGWCNF-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)on1 ZINC000647880414 395450072 /nfs/dbraw/zinc/45/00/72/395450072.db2.gz YIVDOZZSTZCTDD-HNNXBMFYSA-N 2 0 277.412 2.900 20 0 CFADRP CC(C)OC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647881185 395450844 /nfs/dbraw/zinc/45/08/44/395450844.db2.gz OITPVUXNRVDXKF-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647881147 395450909 /nfs/dbraw/zinc/45/09/09/395450909.db2.gz HESGDDMBVGORDG-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP COc1ccc(C[N@H+](C)CCCC2CC[NH2+]CC2)cc1O ZINC000647881523 395451271 /nfs/dbraw/zinc/45/12/71/395451271.db2.gz COPJDOORWPCSPL-UHFFFAOYSA-N 2 0 292.423 2.612 20 0 CFADRP CC1CCC(OC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000647884555 395452308 /nfs/dbraw/zinc/45/23/08/395452308.db2.gz DWWKUGBVXPIXKY-HWOWSKLDSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@@H](CCO)c1ccccc1 ZINC000647885796 395452379 /nfs/dbraw/zinc/45/23/79/395452379.db2.gz RAMZNWGSTVEEHH-SFHVURJKSA-N 2 0 290.451 2.822 20 0 CFADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886802 395453481 /nfs/dbraw/zinc/45/34/81/395453481.db2.gz WXLWOYLWOSBCAK-VNHYZAJKSA-N 2 0 262.372 2.613 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647886019 395453584 /nfs/dbraw/zinc/45/35/84/395453584.db2.gz FQSQUOSFLSPIAH-GXTWGEPZSA-N 2 0 266.816 2.812 20 0 CFADRP Clc1ccccc1OC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647988526 395473672 /nfs/dbraw/zinc/47/36/72/395473672.db2.gz WVAZPIOAFNMTET-ZDUSSCGKSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000647890074 395454277 /nfs/dbraw/zinc/45/42/77/395454277.db2.gz LXNHRTHUAIOSOO-WWGRRREGSA-N 2 0 262.372 2.818 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)ccn1 ZINC000647988037 395473774 /nfs/dbraw/zinc/47/37/74/395473774.db2.gz HYMFAELKUFUYHT-KRWDZBQOSA-N 2 0 273.424 2.998 20 0 CFADRP Cc1nc(C)c(CNC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000647924640 395458789 /nfs/dbraw/zinc/45/87/89/395458789.db2.gz YRSVEXPLSBJXKG-UHFFFAOYSA-N 2 0 265.401 2.690 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647934313 395460918 /nfs/dbraw/zinc/46/09/18/395460918.db2.gz ADPKUORTLOEAOI-TZMCWYRMSA-N 2 0 264.438 2.968 20 0 CFADRP Cc1cc(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)[nH]n1 ZINC000647991166 395474395 /nfs/dbraw/zinc/47/43/95/395474395.db2.gz FFUUEZXXBBEREE-UHFFFAOYSA-N 2 0 290.455 2.677 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](CC1CCCCC1)C1CC1 ZINC000647960011 395466579 /nfs/dbraw/zinc/46/65/79/395466579.db2.gz ZNTMMKNVJTWEGO-KRWDZBQOSA-N 2 0 282.472 2.732 20 0 CFADRP Cc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)CC2CC2)cn1 ZINC000647995439 395474727 /nfs/dbraw/zinc/47/47/27/395474727.db2.gz YOYMDZHHYFMWJZ-OAHLLOKOSA-N 2 0 273.424 2.602 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976856 395471615 /nfs/dbraw/zinc/47/16/15/395471615.db2.gz VGUDWNMBXBRXNT-HOTGVXAUSA-N 2 0 268.445 2.515 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786647 395427786 /nfs/dbraw/zinc/42/77/86/395427786.db2.gz UUEZRDKWVMVRHS-SLEUVZQESA-N 2 0 294.826 2.826 20 0 CFADRP Fc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647786670 395427887 /nfs/dbraw/zinc/42/78/87/395427887.db2.gz VJVPLYMFDMOIJT-CKEIUWERSA-N 2 0 288.410 2.835 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786783 395427959 /nfs/dbraw/zinc/42/79/59/395427959.db2.gz YNXQUWQVMUYNOU-HMDCTGQHSA-N 2 0 280.456 2.559 20 0 CFADRP Fc1cccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647786673 395427991 /nfs/dbraw/zinc/42/79/91/395427991.db2.gz VJVPLYMFDMOIJT-JKIFEVAISA-N 2 0 288.410 2.835 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1ccc(F)cc1 ZINC000647789010 395428873 /nfs/dbraw/zinc/42/88/73/395428873.db2.gz WVIQMVMWYNYSJQ-HGTKMLMNSA-N 2 0 292.398 2.571 20 0 CFADRP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C[C@H]2C1 ZINC000647787874 395428877 /nfs/dbraw/zinc/42/88/77/395428877.db2.gz AOAWUTVLZIAEGC-FFWIBEFTSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788347 395429009 /nfs/dbraw/zinc/42/90/09/395429009.db2.gz ICINMOGMUDULNG-YYIAUSFCSA-N 2 0 288.435 2.740 20 0 CFADRP Fc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647791659 395429557 /nfs/dbraw/zinc/42/95/57/395429557.db2.gz JRRDQQOGIPJGBL-XJKCOSOUSA-N 2 0 274.383 2.793 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790086 395429575 /nfs/dbraw/zinc/42/95/75/395429575.db2.gz RFDYZCOGYWEBDD-ZKXLYKBJSA-N 2 0 270.420 2.595 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790427 395429582 /nfs/dbraw/zinc/42/95/82/395429582.db2.gz YICKQVZRUWCLPJ-BRWVUGGUSA-N 2 0 288.435 2.953 20 0 CFADRP c1ccc(C2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647791529 395429688 /nfs/dbraw/zinc/42/96/88/395429688.db2.gz GQPPMGSOUQJIFN-YJNFJTPFSA-N 2 0 270.420 2.910 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647793044 395430315 /nfs/dbraw/zinc/43/03/15/395430315.db2.gz IYLDWNKYSQTGQH-AYDFFVQHSA-N 2 0 292.423 2.507 20 0 CFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647793109 395430339 /nfs/dbraw/zinc/43/03/39/395430339.db2.gz KUKZMAJYZYUORN-SGPHBRAGSA-N 2 0 274.408 2.881 20 0 CFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647792305 395430347 /nfs/dbraw/zinc/43/03/47/395430347.db2.gz YVWMCZXABNNSRU-KCQAQPDRSA-N 2 0 270.376 2.911 20 0 CFADRP Clc1cccc2c1OC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647792032 395430397 /nfs/dbraw/zinc/43/03/97/395430397.db2.gz RPHLYWMKXAYKST-YFCNSXCBSA-N 2 0 292.810 2.751 20 0 CFADRP Cc1csc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCC2)n1 ZINC000647792085 395430425 /nfs/dbraw/zinc/43/04/25/395430425.db2.gz SOUXKHOTGHVFQX-HZSPNIEDSA-N 2 0 291.464 2.808 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1F ZINC000647793758 395430536 /nfs/dbraw/zinc/43/05/36/395430536.db2.gz HFXFIQPOXGWXSY-RWMBFGLXSA-N 2 0 298.352 2.624 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000647793712 395430627 /nfs/dbraw/zinc/43/06/27/395430627.db2.gz GAGNRXMNBCWQFF-QMCVQRASSA-N 2 0 271.408 2.510 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791952 395430645 /nfs/dbraw/zinc/43/06/45/395430645.db2.gz QVSUPHULUUUJGU-IXDOHACOSA-N 2 0 288.435 2.660 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794333 395431430 /nfs/dbraw/zinc/43/14/30/395431430.db2.gz YJCCADWYIVWAEZ-RBSFLKMASA-N 2 0 291.414 2.605 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793933 395431520 /nfs/dbraw/zinc/43/15/20/395431520.db2.gz MOLQDVGRWZVPPF-HGHNZHKBSA-N 2 0 280.456 2.700 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798634 395432475 /nfs/dbraw/zinc/43/24/75/395432475.db2.gz UNQIFQCEGZNWIL-NLXSIGEOSA-N 2 0 250.430 2.789 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647798299 395432982 /nfs/dbraw/zinc/43/29/82/395432982.db2.gz PBCQIULUFSLWHT-TXTZMMAHSA-N 2 0 270.420 2.768 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000647801602 395434760 /nfs/dbraw/zinc/43/47/60/395434760.db2.gz YXBAHENKOUIADV-RKTXRCNFSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978757 395472378 /nfs/dbraw/zinc/47/23/78/395472378.db2.gz XQZSDDOTUQODNZ-PMPSAXMXSA-N 2 0 273.424 2.854 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000647800733 395434965 /nfs/dbraw/zinc/43/49/65/395434965.db2.gz JOLVAYLNTNQXHG-AGZZZRPFSA-N 2 0 258.409 2.897 20 0 CFADRP C[N@H+](CCC[NH3+])CCCOc1ccc2ccccc2c1 ZINC000647848053 395444781 /nfs/dbraw/zinc/44/47/81/395444781.db2.gz AYFWKZXDLHXHKD-UHFFFAOYSA-N 2 0 272.392 2.889 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000649413862 395489032 /nfs/dbraw/zinc/48/90/32/395489032.db2.gz NTRUCTXDDUJRBU-SFHVURJKSA-N 3 0 293.499 2.717 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068304 395496155 /nfs/dbraw/zinc/49/61/55/395496155.db2.gz PNQJLMVUGFIIRR-MXASKKJJSA-N 2 0 290.476 2.673 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000037413534 543029441 /nfs/dbraw/zinc/02/94/41/543029441.db2.gz OPZDZGNSMFTTTR-QWHCGFSZSA-N 2 0 290.407 2.796 20 0 CFADRP CCCc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193608151 543090675 /nfs/dbraw/zinc/09/06/75/543090675.db2.gz BCHQCVCWRFSPFQ-CALCHBBNSA-N 2 0 258.409 2.633 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000314156715 413096409 /nfs/dbraw/zinc/09/64/09/413096409.db2.gz HSSOSGQEFUNIJP-WMZOPIPTSA-N 2 0 281.403 2.796 20 0 CFADRP CCc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401148709 413160035 /nfs/dbraw/zinc/16/00/35/413160035.db2.gz OYKCHHVQRCCIFJ-IXDOHACOSA-N 2 0 258.409 2.727 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401061170 413160104 /nfs/dbraw/zinc/16/01/04/413160104.db2.gz XAYYCJAMFUXFGY-KBAYOESNSA-N 2 0 288.435 2.701 20 0 CFADRP Clc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401019593 413160952 /nfs/dbraw/zinc/16/09/52/413160952.db2.gz WPBJQDBLJYKAIQ-FPMFFAJLSA-N 2 0 264.800 2.818 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917673 397551236 /nfs/dbraw/zinc/55/12/36/397551236.db2.gz ZRSMBCNHYOGYIR-AEFFLSMTSA-N 2 0 288.435 2.702 20 0 CFADRP COc1ccc(Cl)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000042427727 397559670 /nfs/dbraw/zinc/55/96/70/397559670.db2.gz NQDKBLJLMSIIHP-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP C[NH+](C)CCC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000103269965 397594945 /nfs/dbraw/zinc/59/49/45/397594945.db2.gz UXDDKPDCRXXURS-UHFFFAOYSA-N 2 0 274.330 2.789 20 0 CFADRP c1sc2ccccc2c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000109119982 397598494 /nfs/dbraw/zinc/59/84/94/397598494.db2.gz YPSVZYUPEJOBBG-VXGBXAGGSA-N 2 0 258.390 2.553 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000228812678 397624858 /nfs/dbraw/zinc/62/48/58/397624858.db2.gz XHPINYSEOQSBNF-RRFJBIMHSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@@H]1CCCC[NH2+]1 ZINC000650759456 397885133 /nfs/dbraw/zinc/88/51/33/397885133.db2.gz JWDHXOFQXFWBKD-OIISXLGYSA-N 2 0 287.451 2.924 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C12CCC2 ZINC000650757447 397885189 /nfs/dbraw/zinc/88/51/89/397885189.db2.gz XIYPGUUNPLAOPU-DLBZAZTESA-N 2 0 288.435 2.843 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@H]1CCC[NH2+]1 ZINC000650760038 397885989 /nfs/dbraw/zinc/88/59/89/397885989.db2.gz VVKUDHHSWQRHRQ-VNQPRFMTSA-N 2 0 273.424 2.534 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000650762521 397886891 /nfs/dbraw/zinc/88/68/91/397886891.db2.gz CODVCAVEMRBNQF-CVEARBPZSA-N 2 0 250.430 2.935 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000650761657 397886900 /nfs/dbraw/zinc/88/69/00/397886900.db2.gz GSIJJVASZRSHKT-LLVKDONJSA-N 2 0 297.830 2.784 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650761931 397886925 /nfs/dbraw/zinc/88/69/25/397886925.db2.gz NWVGHGSFWOOOTE-INIZCTEOSA-N 2 0 292.398 2.801 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762514 397887053 /nfs/dbraw/zinc/88/70/53/397887053.db2.gz CKVRWXBGAYMOHD-QGZVFWFLSA-N 2 0 290.476 2.996 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761799 397887196 /nfs/dbraw/zinc/88/71/96/397887196.db2.gz KQRRDYWIWMTHRW-LSDHHAIUSA-N 2 0 256.409 2.884 20 0 CFADRP CC(C)CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707660 397860683 /nfs/dbraw/zinc/86/06/83/397860683.db2.gz KLAYEMLTEJTABZ-HRCADAONSA-N 2 0 268.445 2.641 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCC([NH2+]CCOC)CC2)C1 ZINC000650704770 397860693 /nfs/dbraw/zinc/86/06/93/397860693.db2.gz ZQMJBMKYGGVXHD-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705537 397860727 /nfs/dbraw/zinc/86/07/27/397860727.db2.gz KXVOYROWSMOZDT-BZSNNMDCSA-N 2 0 288.435 2.713 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708846 397861570 /nfs/dbraw/zinc/86/15/70/397861570.db2.gz QHWYCXSKGNRVRO-QAETUUGQSA-N 2 0 282.472 2.887 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC000650708392 397861755 /nfs/dbraw/zinc/86/17/55/397861755.db2.gz ZBPSNWLGLIMUFO-GVDBMIGSSA-N 2 0 280.456 2.785 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)s1 ZINC000650763310 397887862 /nfs/dbraw/zinc/88/78/62/397887862.db2.gz XMUSZLTVQIIPKY-JTQLQIEISA-N 2 0 267.442 2.800 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000650763253 397887884 /nfs/dbraw/zinc/88/78/84/397887884.db2.gz VWXNKQKOZMFARA-BBWFWOEESA-N 2 0 280.456 2.561 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000650709846 397862587 /nfs/dbraw/zinc/86/25/87/397862587.db2.gz STADGOXNVNOMOX-XSLAGTTESA-N 2 0 270.420 2.851 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000650763013 397887910 /nfs/dbraw/zinc/88/79/10/397887910.db2.gz OXRFQBDXQOUWIJ-CQSZACIVSA-N 2 0 265.376 2.651 20 0 CFADRP CC[C@H](OCC[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000650710333 397863280 /nfs/dbraw/zinc/86/32/80/397863280.db2.gz MKJKYYZSFYWVPE-IRXDYDNUSA-N 2 0 276.424 2.744 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(CC)CC ZINC000650763398 397887950 /nfs/dbraw/zinc/88/79/50/397887950.db2.gz ZBUZZXMZQRKSQQ-JKSUJKDBSA-N 2 0 282.472 2.950 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650762849 397887962 /nfs/dbraw/zinc/88/79/62/397887962.db2.gz LRGMAFHUEYPKPQ-KRWDZBQOSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)[C@@H]1CC[NH3+] ZINC000650711603 397864067 /nfs/dbraw/zinc/86/40/67/397864067.db2.gz YNZSLQMVKGFXDB-MAUKXSAKSA-N 2 0 298.434 2.822 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)[C@@H]1CC[NH3+] ZINC000650711522 397864273 /nfs/dbraw/zinc/86/42/73/397864273.db2.gz WIPXIHCCKQEWEP-CXAGYDPISA-N 2 0 299.418 2.890 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000650712163 397864504 /nfs/dbraw/zinc/86/45/04/397864504.db2.gz SXDTWZTZVRUKDW-UHFFFAOYSA-N 2 0 270.323 2.507 20 0 CFADRP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1Cl ZINC000650712543 397864560 /nfs/dbraw/zinc/86/45/60/397864560.db2.gz JLDJEACOWDPWDW-UHFFFAOYSA-N 2 0 268.788 2.567 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000650712691 397864947 /nfs/dbraw/zinc/86/49/47/397864947.db2.gz PXTGYHPNHAAOEP-UHFFFAOYSA-N 2 0 281.403 2.967 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2csc(Br)c2)CC1 ZINC000650712378 397865093 /nfs/dbraw/zinc/86/50/93/397865093.db2.gz BSXMHRXJFKQVFY-UHFFFAOYSA-N 2 0 289.242 2.729 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cc(Br)cs2)CC1 ZINC000650712139 397865124 /nfs/dbraw/zinc/86/51/24/397865124.db2.gz SDQPFHJOZUNSFK-UHFFFAOYSA-N 2 0 289.242 2.729 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715204 397866375 /nfs/dbraw/zinc/86/63/75/397866375.db2.gz UGVVEKPUXDHLQV-OIISXLGYSA-N 2 0 287.451 2.924 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C[NH3+])cc1F ZINC000650717130 397867866 /nfs/dbraw/zinc/86/78/66/397867866.db2.gz SHIQZHNVJYWYBD-CZUORRHYSA-N 2 0 293.430 2.685 20 0 CFADRP COc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650718738 397868121 /nfs/dbraw/zinc/86/81/21/397868121.db2.gz VNHZPCPWYKLORQ-UHFFFAOYSA-N 2 0 274.339 2.583 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OC)c1 ZINC000650718463 397868239 /nfs/dbraw/zinc/86/82/39/397868239.db2.gz NRDYUKIPRORNPR-UHFFFAOYSA-N 2 0 270.376 2.704 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1F ZINC000650718242 397868351 /nfs/dbraw/zinc/86/83/51/397868351.db2.gz DOOSKHBKQREIQT-UHFFFAOYSA-N 2 0 258.340 2.835 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cscc2Cl)CC1 ZINC000650721681 397870231 /nfs/dbraw/zinc/87/02/31/397870231.db2.gz XRQIGWNTBVZBHY-UHFFFAOYSA-N 2 0 258.818 2.962 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650721152 397870324 /nfs/dbraw/zinc/87/03/24/397870324.db2.gz SJTOQELBXCDQJV-DJIMGWMZSA-N 2 0 287.451 2.924 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000650764436 397888613 /nfs/dbraw/zinc/88/86/13/397888613.db2.gz YPLOQGLFXQVJDC-CYBMUJFWSA-N 2 0 274.408 2.757 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC000650723607 397871507 /nfs/dbraw/zinc/87/15/07/397871507.db2.gz QSUWHDUYLTZVDQ-PMPSAXMXSA-N 2 0 266.429 2.537 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc2ccsc21 ZINC000650739860 397873692 /nfs/dbraw/zinc/87/36/92/397873692.db2.gz ATUSRHNUZJLKFE-AWEZNQCLSA-N 2 0 278.421 2.745 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650741019 397875384 /nfs/dbraw/zinc/87/53/84/397875384.db2.gz WGSWFNOUONEMSR-TUKIKUTGSA-N 2 0 290.432 2.743 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650742258 397876713 /nfs/dbraw/zinc/87/67/13/397876713.db2.gz UOUPTVRZHIVBNZ-NVXWUHKLSA-N 2 0 281.488 2.748 20 0 CFADRP CC[N@H+](CCCN[C@@H](C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000650741954 397876745 /nfs/dbraw/zinc/87/67/45/397876745.db2.gz OMKBKWUANLSUEK-GJZGRUSLSA-N 2 0 269.477 2.747 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650742442 397876871 /nfs/dbraw/zinc/87/68/71/397876871.db2.gz YFWHQLRUZYJUFF-NVXWUHKLSA-N 2 0 281.488 2.619 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650743529 397877357 /nfs/dbraw/zinc/87/73/57/397877357.db2.gz VRDVQDFIJLFLLO-ZDUSSCGKSA-N 2 0 262.397 2.865 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744057 397878239 /nfs/dbraw/zinc/87/82/39/397878239.db2.gz FHQUHVUQPFBLOE-KBPBESRZSA-N 2 0 276.424 2.906 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)[C@@H]1OC ZINC000650745205 397879066 /nfs/dbraw/zinc/87/90/66/397879066.db2.gz BQBCPYRUCXXFJR-MCIONIFRSA-N 2 0 268.445 2.545 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1Cl ZINC000650747334 397880145 /nfs/dbraw/zinc/88/01/45/397880145.db2.gz XNTCBWZOPQCGBY-SNVBAGLBSA-N 2 0 283.803 2.523 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650752525 397882462 /nfs/dbraw/zinc/88/24/62/397882462.db2.gz SQOJCVJCWJARMA-LBPRGKRZSA-N 2 0 276.355 2.988 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@@H]2CCCO[C@H]21 ZINC000650754812 397883689 /nfs/dbraw/zinc/88/36/89/397883689.db2.gz RSZDHBQWKDTNIT-NUEKZKHPSA-N 2 0 292.398 2.578 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c(F)c1 ZINC000650756231 397884596 /nfs/dbraw/zinc/88/45/96/397884596.db2.gz XCKJEWHKTXTLEZ-HOCLYGCPSA-N 2 0 262.372 2.953 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CCCCC1 ZINC000421865680 292136184 /nfs/dbraw/zinc/13/61/84/292136184.db2.gz ZTHDJFCJLKSNIL-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H](CC)CO1 ZINC000403886796 413181868 /nfs/dbraw/zinc/18/18/68/413181868.db2.gz VLWBLBKKCLBOPU-QZTJIDSGSA-N 2 0 288.435 2.722 20 0 CFADRP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404278828 413192285 /nfs/dbraw/zinc/19/22/85/413192285.db2.gz OOBICKHTFVDUBZ-DYVFJYSZSA-N 2 0 289.423 2.594 20 0 CFADRP COC1([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000421831464 292149665 /nfs/dbraw/zinc/14/96/65/292149665.db2.gz LJQZLQMAQYFOKN-SOUVJXGZSA-N 2 0 268.445 2.797 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423082589 292153880 /nfs/dbraw/zinc/15/38/80/292153880.db2.gz DNCKGKPELSNPOK-JWMHWRSXSA-N 2 0 268.445 2.689 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404370216 413200368 /nfs/dbraw/zinc/20/03/68/413200368.db2.gz IPWDEDBHEJNYPF-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404401422 413201327 /nfs/dbraw/zinc/20/13/27/413201327.db2.gz RGHGTEZZZLCUTH-XJKSGUPXSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404401420 413203163 /nfs/dbraw/zinc/20/31/63/413203163.db2.gz RGHGTEZZZLCUTH-CJNGLKHVSA-N 2 0 262.397 2.645 20 0 CFADRP COC1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423166376 292160012 /nfs/dbraw/zinc/16/00/12/292160012.db2.gz CLXPVHBZKCPCGG-JWMHWRSXSA-N 2 0 268.445 2.844 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000356127386 155168467 /nfs/dbraw/zinc/16/84/67/155168467.db2.gz OHXUJRVXCVVJLK-DOTOQJQBSA-N 2 0 294.483 2.757 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000415086650 286011828 /nfs/dbraw/zinc/01/18/28/286011828.db2.gz SIOWGSNDANUGPK-VBNZEHGJSA-N 2 0 280.387 2.633 20 0 CFADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCc2ccccc21 ZINC000404864771 413219884 /nfs/dbraw/zinc/21/98/84/413219884.db2.gz AVMYAWURFAWFID-RHSMWYFYSA-N 2 0 258.409 2.648 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000279810152 286023100 /nfs/dbraw/zinc/02/31/00/286023100.db2.gz XFDLUSCMXUDDGY-PBHICJAKSA-N 2 0 274.408 2.614 20 0 CFADRP Cc1ncccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785543 413224049 /nfs/dbraw/zinc/22/40/49/413224049.db2.gz LTRAPIYSMVXPSY-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP CCOCCC1(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000415083864 286047834 /nfs/dbraw/zinc/04/78/34/286047834.db2.gz FXJWLHIZBWJYGI-HOTGVXAUSA-N 2 0 282.472 2.951 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783808 413226294 /nfs/dbraw/zinc/22/62/94/413226294.db2.gz ABNCLNPCSDIJJA-CQSZACIVSA-N 2 0 293.480 2.917 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000422883940 286049951 /nfs/dbraw/zinc/04/99/51/286049951.db2.gz DILONZDLCZITJD-CABCVRRESA-N 2 0 268.445 2.690 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663469836 413231329 /nfs/dbraw/zinc/23/13/29/413231329.db2.gz RBGLVALJBVYEJD-HOCLYGCPSA-N 2 0 273.424 2.854 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789571 413233546 /nfs/dbraw/zinc/23/35/46/413233546.db2.gz RBUOEGDBJOADJO-INIZCTEOSA-N 2 0 294.414 2.634 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1([NH3+])CCCC1 ZINC000656788824 413235767 /nfs/dbraw/zinc/23/57/67/413235767.db2.gz DCUXXVJTPQJZGR-CYBMUJFWSA-N 2 0 290.407 2.598 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000656791729 413237476 /nfs/dbraw/zinc/23/74/76/413237476.db2.gz JGORJLPPCMSPSM-MAUKXSAKSA-N 2 0 288.435 2.658 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414895574 292215232 /nfs/dbraw/zinc/21/52/32/292215232.db2.gz XWTHSESCYQTYMA-YESZJQIVSA-N 2 0 258.409 2.958 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663497667 413241289 /nfs/dbraw/zinc/24/12/89/413241289.db2.gz FATDUIKOEZYWIZ-CYBMUJFWSA-N 2 0 270.804 2.812 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663497659 413241195 /nfs/dbraw/zinc/24/11/95/413241195.db2.gz DTGUVCRKNGYWFG-DDJMYBDESA-N 2 0 262.397 2.671 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000663498787 413244082 /nfs/dbraw/zinc/24/40/82/413244082.db2.gz FXYZVTYUPKKCQQ-MRXNPFEDSA-N 2 0 292.471 2.931 20 0 CFADRP CO[C@]1(C)C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359196562 286164033 /nfs/dbraw/zinc/16/40/33/286164033.db2.gz UOGURQWNJSWYNL-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP CCOC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000300567410 286169663 /nfs/dbraw/zinc/16/96/63/286169663.db2.gz FTMSTIFTIQMHPV-XHSDSOJGSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C3CCC3)C2)CC[NH2+]1 ZINC000663500338 413244455 /nfs/dbraw/zinc/24/44/55/413244455.db2.gz KHNSICYVXVZTCM-FMKPAKJESA-N 2 0 250.430 2.887 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@@]1(C)CC[NH2+]C1 ZINC000663501816 413245980 /nfs/dbraw/zinc/24/59/80/413245980.db2.gz BBHYNOKXACLHMM-RDJZCZTQSA-N 2 0 258.409 2.648 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000663501695 413246072 /nfs/dbraw/zinc/24/60/72/413246072.db2.gz BHZIVGNSJJSBHE-CYBMUJFWSA-N 2 0 278.425 2.601 20 0 CFADRP COc1ccc2oc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc2c1 ZINC000663500954 413247212 /nfs/dbraw/zinc/24/72/12/413247212.db2.gz WVCZBSTWHXSDNF-OAHLLOKOSA-N 2 0 276.380 2.904 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1O ZINC000663504483 413248895 /nfs/dbraw/zinc/24/88/95/413248895.db2.gz YRLDFGMJSGVVPK-UKRRQHHQSA-N 2 0 294.439 2.685 20 0 CFADRP COCC1(C[NH2+]Cc2c(C)cc(C)cc2C)CC[NH2+]CC1 ZINC000414955872 292246082 /nfs/dbraw/zinc/24/60/82/292246082.db2.gz NUKHXFMIPPKYCW-UHFFFAOYSA-N 2 0 290.451 2.718 20 0 CFADRP C[NH2+]C[C@H](C)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000663514796 413256587 /nfs/dbraw/zinc/25/65/87/413256587.db2.gz TXQGJVVRLFIHOE-QWRGUYRKSA-N 2 0 274.330 2.834 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@H](C)Cc1ccccc1SC ZINC000663514129 413257128 /nfs/dbraw/zinc/25/71/28/413257128.db2.gz NJFNELXCCFPKDH-VXGBXAGGSA-N 2 0 252.427 2.537 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000423400639 292249102 /nfs/dbraw/zinc/24/91/02/292249102.db2.gz FVSSMCVEMSXAOH-ARFHVFGLSA-N 2 0 282.472 2.807 20 0 CFADRP C[NH2+]C[C@@H](C)NCCCc1c(F)cccc1Cl ZINC000663514894 413256886 /nfs/dbraw/zinc/25/68/86/413256886.db2.gz VMIZDFFIDITDOU-SNVBAGLBSA-N 2 0 258.768 2.609 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000250463256 286284370 /nfs/dbraw/zinc/28/43/70/286284370.db2.gz AOUUSGFAJQUFGD-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C12CCCC2 ZINC000085680939 286280470 /nfs/dbraw/zinc/28/04/70/286280470.db2.gz JKQCQLXYWIJURK-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423256908 286282629 /nfs/dbraw/zinc/28/26/29/286282629.db2.gz GOSGYFFLVAJRIB-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919589 286288328 /nfs/dbraw/zinc/28/83/28/286288328.db2.gz KCNDWHCDSKVAHM-CAOSSQGBSA-N 2 0 280.456 2.844 20 0 CFADRP COCC1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000414316100 292263393 /nfs/dbraw/zinc/26/33/93/292263393.db2.gz TUNPQRBFAKARSN-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000574100028 413274416 /nfs/dbraw/zinc/27/44/16/413274416.db2.gz LCASWRLXWKFBOW-JKSUJKDBSA-N 2 0 258.409 2.968 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367747352 292281793 /nfs/dbraw/zinc/28/17/93/292281793.db2.gz SAGKAKPVQCUOGH-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(C)c1OC ZINC000423388610 286370391 /nfs/dbraw/zinc/37/03/91/286370391.db2.gz UGYJLPUORODOFF-KWCYVHTRSA-N 2 0 292.423 2.803 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919595 286395570 /nfs/dbraw/zinc/39/55/70/286395570.db2.gz KCNDWHCDSKVAHM-YHUYYLMFSA-N 2 0 280.456 2.844 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000422800099 286396108 /nfs/dbraw/zinc/39/61/08/286396108.db2.gz ASYYEUXBCRNOCF-YHUYYLMFSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000343071382 154104114 /nfs/dbraw/zinc/10/41/14/154104114.db2.gz LZKZJOVFESNTGO-GXFFZTMASA-N 2 0 288.313 2.625 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000343157434 154128227 /nfs/dbraw/zinc/12/82/27/154128227.db2.gz IFOGSVOVVPSRQM-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cnc3ccc(C)cn23)C1(C)C ZINC000345700077 154243940 /nfs/dbraw/zinc/24/39/40/154243940.db2.gz JJECYMUGSVYZCN-VBNZEHGJSA-N 2 0 287.407 2.792 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000348052612 154298601 /nfs/dbraw/zinc/29/86/01/154298601.db2.gz YXLIGYOHCZYVHZ-IRXDYDNUSA-N 2 0 283.504 2.532 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000348100549 154319950 /nfs/dbraw/zinc/31/99/50/154319950.db2.gz FYTFUSKZFRICDU-NVXWUHKLSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000348100550 154320127 /nfs/dbraw/zinc/32/01/27/154320127.db2.gz FYTFUSKZFRICDU-RDJZCZTQSA-N 2 0 276.424 2.905 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348105411 154321388 /nfs/dbraw/zinc/32/13/88/154321388.db2.gz SITYQPYFYPSICL-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@@H]1CCC[NH+]1C ZINC000348187250 154354591 /nfs/dbraw/zinc/35/45/91/154354591.db2.gz PPKKPCORUDHQLT-AWEZNQCLSA-N 2 0 284.444 2.524 20 0 CFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@H]1C(F)F ZINC000348273591 154390196 /nfs/dbraw/zinc/39/01/96/154390196.db2.gz ACZDBPDPZONLPY-RZFFKMDDSA-N 2 0 295.377 2.535 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCCC1 ZINC000361979937 292307797 /nfs/dbraw/zinc/30/77/97/292307797.db2.gz DTBJTOYCUDRROG-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CC[C@H](C)F)CC1 ZINC000352030870 154449475 /nfs/dbraw/zinc/44/94/75/154449475.db2.gz XWGLLJRSMCKHAI-AWEZNQCLSA-N 2 0 274.424 2.557 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C1CCCC1 ZINC000166047010 286442859 /nfs/dbraw/zinc/44/28/59/286442859.db2.gz BUOPWRHWBAJKCY-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@H]1CC ZINC000181750663 286443107 /nfs/dbraw/zinc/44/31/07/286443107.db2.gz VUWOMYZZLRCWGR-OAGGEKHMSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C1CCCC1 ZINC000422823766 286446643 /nfs/dbraw/zinc/44/66/43/286446643.db2.gz MDQRWOQUWWXSBB-HYVNUMGLSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355597346 155051118 /nfs/dbraw/zinc/05/11/18/155051118.db2.gz FBQYQLIGKUHPCP-ODIFPOPNSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(CCC(F)(F)F)C1 ZINC000355876446 155105830 /nfs/dbraw/zinc/10/58/30/155105830.db2.gz BPSSOQNYXOOYFI-GFCCVEGCSA-N 2 0 264.335 2.603 20 0 CFADRP Cc1ccccc1C[C@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660425189 413306179 /nfs/dbraw/zinc/30/61/79/413306179.db2.gz RCRXFQCJENWLCA-FUHWJXTLSA-N 2 0 292.467 2.559 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC[NH+](C)C)CC2)CCO1 ZINC000357000421 155462057 /nfs/dbraw/zinc/46/20/57/155462057.db2.gz VYRJZONHEYHAJR-IAGOWNOFSA-N 2 0 282.472 2.855 20 0 CFADRP c1nc(C2CC2)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357043418 155480698 /nfs/dbraw/zinc/48/06/98/155480698.db2.gz GBJWGEMJWGXNBK-CQSZACIVSA-N 2 0 291.464 2.842 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000358014872 155602413 /nfs/dbraw/zinc/60/24/13/155602413.db2.gz CUKNAECXSVFJJA-YOEHRIQHSA-N 2 0 294.414 2.915 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCOC1 ZINC000360146150 156033181 /nfs/dbraw/zinc/03/31/81/156033181.db2.gz ABUSXFJSPWIJLD-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)COc1ccccc1CNC1CC[NH+](C)CC1 ZINC000360156007 156036517 /nfs/dbraw/zinc/03/65/17/156036517.db2.gz OMACSLBPXIHYQA-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362923560 156116171 /nfs/dbraw/zinc/11/61/71/156116171.db2.gz KIWDEQZSEQFSDM-OAHLLOKOSA-N 2 0 292.467 2.800 20 0 CFADRP Fc1ccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000362928461 156116736 /nfs/dbraw/zinc/11/67/36/156116736.db2.gz SNJUWVZUYCHUNR-LBPRGKRZSA-N 2 0 287.382 2.881 20 0 CFADRP C(C[NH+]1CC[C@H](C2CC2)C1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000367044839 156270308 /nfs/dbraw/zinc/27/03/08/156270308.db2.gz HXAJUQHMRPZTFX-IRXDYDNUSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@H](F)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367158480 156289347 /nfs/dbraw/zinc/28/93/47/156289347.db2.gz SELLOXZWCNDQAA-LSDHHAIUSA-N 2 0 256.409 2.932 20 0 CFADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1-c1cccnc1 ZINC000367325906 156315768 /nfs/dbraw/zinc/31/57/68/156315768.db2.gz GIRHDVLKSWXBKD-OAHLLOKOSA-N 2 0 296.418 2.922 20 0 CFADRP c1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cs1 ZINC000367472091 156336797 /nfs/dbraw/zinc/33/67/97/156336797.db2.gz CJFYXKNMCDXOPP-ILXRZTDVSA-N 2 0 262.422 2.664 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367593192 156355749 /nfs/dbraw/zinc/35/57/49/156355749.db2.gz GLPOEVXLQSUORJ-IKGGRYGDSA-N 2 0 274.408 2.528 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000367598336 156358103 /nfs/dbraw/zinc/35/81/03/156358103.db2.gz QJTJPVBDIGUWAS-RCCFBDPRSA-N 2 0 287.451 2.785 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367612683 156363120 /nfs/dbraw/zinc/36/31/20/156363120.db2.gz DVDKPBZMFHVLMK-BRWVUGGUSA-N 2 0 274.408 2.658 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cs1 ZINC000367757446 156388039 /nfs/dbraw/zinc/38/80/39/156388039.db2.gz UOGFCZPMGDRGAY-KFWWJZLASA-N 2 0 293.480 2.710 20 0 CFADRP CC(C)(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000653497466 413333521 /nfs/dbraw/zinc/33/35/21/413333521.db2.gz FMXMEDXVOGMXJK-UHFFFAOYSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)CC[N@@H+]1C ZINC000373905311 157045497 /nfs/dbraw/zinc/04/54/97/157045497.db2.gz PUCZEONGACCAKY-NUJGCVRESA-N 2 0 293.499 2.856 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000374064901 157063558 /nfs/dbraw/zinc/06/35/58/157063558.db2.gz ALSGYSIVWFSLTR-MSOLQXFVSA-N 2 0 295.515 2.628 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000374338534 157101226 /nfs/dbraw/zinc/10/12/26/157101226.db2.gz UPPOSQSVZVIVRO-ZIAGYGMSSA-N 2 0 256.459 2.544 20 0 CFADRP FC(F)(F)[C@H]1CC[N@H+](CCn2ccnc2)CC12CCC2 ZINC000374552904 157128612 /nfs/dbraw/zinc/12/86/12/157128612.db2.gz TXCNZNOSWJKOJY-LBPRGKRZSA-N 2 0 287.329 2.938 20 0 CFADRP Cn1cc([C@H](NCC[C@H]2CCC[N@@H+]2C)c2ccccc2)cn1 ZINC000374598913 157135597 /nfs/dbraw/zinc/13/55/97/157135597.db2.gz ZMWGDFNVFORIOR-QZTJIDSGSA-N 2 0 298.434 2.583 20 0 CFADRP Cn1cc([C@@H](NCC[C@@H]2CCC[N@@H+]2C)c2ccccc2)cn1 ZINC000374598914 157136097 /nfs/dbraw/zinc/13/60/97/157136097.db2.gz ZMWGDFNVFORIOR-ROUUACIJSA-N 2 0 298.434 2.583 20 0 CFADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000374675642 157147184 /nfs/dbraw/zinc/14/71/84/157147184.db2.gz DIWBCTYAQCHNLV-UONOGXRCSA-N 2 0 265.401 2.506 20 0 CFADRP C[C@H](CCCO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374894285 157169517 /nfs/dbraw/zinc/16/95/17/157169517.db2.gz MZBYBBGDMYOCCQ-NUJGCVRESA-N 2 0 290.451 2.648 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000375064824 157191709 /nfs/dbraw/zinc/19/17/09/157191709.db2.gz ZLRYDXDMUAKEGS-LJIGWXMPSA-N 2 0 292.471 2.827 20 0 CFADRP Cc1n[nH]cc1C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000375349816 157230293 /nfs/dbraw/zinc/23/02/93/157230293.db2.gz PTCHHYHSZWUOQI-MRXNPFEDSA-N 2 0 290.455 2.772 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)C[NH+]1CCCCC1 ZINC000375350297 157230835 /nfs/dbraw/zinc/23/08/35/157230835.db2.gz UWMKXSFYUIVSEM-JKSUJKDBSA-N 2 0 266.429 2.506 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000376128522 157326445 /nfs/dbraw/zinc/32/64/45/157326445.db2.gz JXORRUANVLPUSZ-UHFFFAOYSA-N 2 0 287.451 2.966 20 0 CFADRP C[C@H](Nc1cc[nH+]cc1-c1cccnc1)C(C)(C)C[NH+](C)C ZINC000376403041 157350394 /nfs/dbraw/zinc/35/03/94/157350394.db2.gz LTYQYUPDSNOBJF-AWEZNQCLSA-N 2 0 298.434 2.954 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651228237 413359165 /nfs/dbraw/zinc/35/91/65/413359165.db2.gz CKMSVDXKCLJAKG-HUUCEWRRSA-N 2 0 281.488 2.569 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651228238 413359998 /nfs/dbraw/zinc/35/99/98/413359998.db2.gz CKMSVDXKCLJAKG-LSDHHAIUSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@H+](CCc1noc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000653559222 413370728 /nfs/dbraw/zinc/37/07/28/413370728.db2.gz PINQYRPEKMAMHP-CQSZACIVSA-N 2 0 287.407 2.644 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)CCc1noc2ccccc21 ZINC000653587764 413386156 /nfs/dbraw/zinc/38/61/56/413386156.db2.gz RPWUASIQFHOFCR-UHFFFAOYSA-N 2 0 298.390 2.897 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657285233 413395337 /nfs/dbraw/zinc/39/53/37/413395337.db2.gz ZNTYQSPFULFBAQ-AWEZNQCLSA-N 2 0 293.459 2.603 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CO1 ZINC000657297301 413413182 /nfs/dbraw/zinc/41/31/82/413413182.db2.gz HJKICLAZOBWKJP-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(C)c1 ZINC000657296042 413413461 /nfs/dbraw/zinc/41/34/61/413413461.db2.gz OXHAGLCFAKCFSY-UHFFFAOYSA-N 2 0 276.424 2.969 20 0 CFADRP CC(C)(C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657300932 413417410 /nfs/dbraw/zinc/41/74/10/413417410.db2.gz PSZXCEITYXUGIN-UHFFFAOYSA-N 2 0 258.369 2.793 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)CC1 ZINC000657308633 413425483 /nfs/dbraw/zinc/42/54/83/413425483.db2.gz WCNHIABIIIHAHL-ZWKOTPCHSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000422780159 298400132 /nfs/dbraw/zinc/40/01/32/298400132.db2.gz JBJXQZPNVZQCTM-DAXOMENPSA-N 2 0 280.387 2.763 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)c(C)c1 ZINC000219322833 161534039 /nfs/dbraw/zinc/53/40/39/161534039.db2.gz JAZOKOSOGHBADC-HNNXBMFYSA-N 2 0 264.413 2.532 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663903970 413431562 /nfs/dbraw/zinc/43/15/62/413431562.db2.gz AXBLESKLGGOXSS-OLZOCXBDSA-N 2 0 270.380 2.626 20 0 CFADRP Cc1c[nH]c(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000657313460 413432094 /nfs/dbraw/zinc/43/20/94/413432094.db2.gz RKEKFOVKXRLVDT-OKILXGFUSA-N 2 0 278.444 2.566 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651378727 413433305 /nfs/dbraw/zinc/43/33/05/413433305.db2.gz VMBJWCTYKYGILO-AEFFLSMTSA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660615287 413434150 /nfs/dbraw/zinc/43/41/50/413434150.db2.gz FFXJCTSYOUAIFP-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000344476630 162052835 /nfs/dbraw/zinc/05/28/35/162052835.db2.gz OYWJHOGDOWGQQZ-RDTXWAMCSA-N 2 0 281.403 2.788 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089802 286913615 /nfs/dbraw/zinc/91/36/15/286913615.db2.gz WATAFIRUAIGOIW-UEKVPHQBSA-N 2 0 250.361 2.919 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)cnn1C(C)C ZINC000345289269 162218453 /nfs/dbraw/zinc/21/84/53/162218453.db2.gz CJZXODRFRVJAJH-ZDUSSCGKSA-N 2 0 266.433 2.765 20 0 CFADRP C[C@@H](C[NH2+]CCCC[NH+](C)C)c1ccc(F)cc1 ZINC000345395037 162240895 /nfs/dbraw/zinc/24/08/95/162240895.db2.gz TUXNWPXDIDZBNE-ZDUSSCGKSA-N 2 0 252.377 2.861 20 0 CFADRP CC(C)[N@@H+]1CCc2nc(CN3CC[C@H](C)C3)sc2C1 ZINC000346131230 162326319 /nfs/dbraw/zinc/32/63/19/162326319.db2.gz AAEMBFPBQKFLNY-LBPRGKRZSA-N 2 0 279.453 2.751 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc2cccnc12 ZINC000346205131 162351996 /nfs/dbraw/zinc/35/19/96/162351996.db2.gz QUTJYWLZYMGEDM-HNNXBMFYSA-N 2 0 283.419 2.927 20 0 CFADRP CCc1cnc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000346219916 162353633 /nfs/dbraw/zinc/35/36/33/162353633.db2.gz NKWBJLPAXIDGRE-OCCSQVGLSA-N 2 0 281.469 2.868 20 0 CFADRP C[N@H+](Cc1ccc[nH]1)Cc1cc(-n2ccnc2)cs1 ZINC000346214849 162355475 /nfs/dbraw/zinc/35/54/75/162355475.db2.gz ZEFFLPCQFOZLQH-UHFFFAOYSA-N 2 0 272.377 2.894 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000346274492 162369204 /nfs/dbraw/zinc/36/92/04/162369204.db2.gz GLCKNJSHUXNQND-LSDHHAIUSA-N 2 0 289.423 2.513 20 0 CFADRP [NH3+]CCCN(c1ccccc1F)[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346358580 162392909 /nfs/dbraw/zinc/39/29/09/162392909.db2.gz GVYFMFAQOPCFLU-HUUCEWRRSA-N 2 0 291.414 2.608 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000346373565 162394992 /nfs/dbraw/zinc/39/49/92/162394992.db2.gz SMHUMMNRAPEWFX-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@H]1CCCO1)C(C)C ZINC000346547699 162442069 /nfs/dbraw/zinc/44/20/69/162442069.db2.gz CJUPUWGQMBBWLT-HUUCEWRRSA-N 2 0 256.434 2.652 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000349695830 163005046 /nfs/dbraw/zinc/00/50/46/163005046.db2.gz SMXSBYCBIRKEGG-BNOWGMLFSA-N 2 0 279.453 2.771 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000349723897 163008959 /nfs/dbraw/zinc/00/89/59/163008959.db2.gz SFRARVCRRRDZBJ-CIDNJEQPSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000349724126 163009321 /nfs/dbraw/zinc/00/93/21/163009321.db2.gz UGBAESIGFKICLP-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CCOCC1 ZINC000349932456 163039214 /nfs/dbraw/zinc/03/92/14/163039214.db2.gz JACVGWINGKJJHT-USXIJHARSA-N 2 0 280.456 2.656 20 0 CFADRP COCc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000350184292 163065029 /nfs/dbraw/zinc/06/50/29/163065029.db2.gz NCOZHRSGKSGUHP-UHFFFAOYSA-N 2 0 292.423 2.734 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000350222644 163067231 /nfs/dbraw/zinc/06/72/31/163067231.db2.gz QKMAVIWDDXGUIT-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@H](C[NH2+]CC1(C)CC[NH+](C)CC1)CC1CCOCC1 ZINC000350357003 163073836 /nfs/dbraw/zinc/07/38/36/163073836.db2.gz OXAQXBALSAUHDW-HNNXBMFYSA-N 2 0 282.472 2.761 20 0 CFADRP Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)CN(C)C2CC2)c1 ZINC000351481228 163131366 /nfs/dbraw/zinc/13/13/66/163131366.db2.gz WPWUJVHWBUTHBI-QZTJIDSGSA-N 2 0 288.435 2.587 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)C[C@@H]12 ZINC000351475219 163131739 /nfs/dbraw/zinc/13/17/39/163131739.db2.gz HZEMVCOOXYHVHS-DAXOMENPSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]12 ZINC000351489469 163133428 /nfs/dbraw/zinc/13/34/28/163133428.db2.gz HGAVZXACRFTHBJ-FVQBIDKESA-N 2 0 299.443 2.979 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351488862 163134498 /nfs/dbraw/zinc/13/44/98/163134498.db2.gz GKTFGKYSJYZYRW-GVDBMIGSSA-N 2 0 288.435 2.741 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3cccc4ccccc43)C[C@H]12 ZINC000351501995 163135554 /nfs/dbraw/zinc/13/55/54/163135554.db2.gz YQLLHUUQEKKGQR-BPQIPLTHSA-N 2 0 296.414 2.888 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCOCC[NH+](C)C ZINC000351505139 163135961 /nfs/dbraw/zinc/13/59/61/163135961.db2.gz ZVFDVEQCVYHTTO-GOEBONIOSA-N 2 0 276.424 2.711 20 0 CFADRP C[NH+](C)C[C@H]1CCN(Cc2conc2Cc2ccccc2)C1 ZINC000351604809 163156842 /nfs/dbraw/zinc/15/68/42/163156842.db2.gz WWQQBYFOOKTWPZ-MRXNPFEDSA-N 2 0 299.418 2.649 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000351637724 163162739 /nfs/dbraw/zinc/16/27/39/163162739.db2.gz VMZDVDDBZIDKFT-MRXNPFEDSA-N 2 0 297.487 2.534 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000660642231 413455956 /nfs/dbraw/zinc/45/59/56/413455956.db2.gz NTTMLNCFVXWUMP-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1nocc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000351662981 163170666 /nfs/dbraw/zinc/17/06/66/163170666.db2.gz AJZPKWLWUNKCDR-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000351849067 163202936 /nfs/dbraw/zinc/20/29/36/163202936.db2.gz FJKAFYAAPLJYQU-GXTWGEPZSA-N 2 0 266.816 2.942 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCOC(C)(C)C1 ZINC000351925534 163216643 /nfs/dbraw/zinc/21/66/43/163216643.db2.gz LIHRMWDLDGXCJF-HUUCEWRRSA-N 2 0 268.445 2.750 20 0 CFADRP CCOC(=O)CCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000352248212 163219092 /nfs/dbraw/zinc/21/90/92/163219092.db2.gz XZXIORSROOCYPQ-UHFFFAOYSA-N 2 0 284.444 2.524 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352734821 163226810 /nfs/dbraw/zinc/22/68/10/163226810.db2.gz CSVRYYSYDWNASL-IHWYPQMZSA-N 2 0 278.346 2.830 20 0 CFADRP CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813864 163241045 /nfs/dbraw/zinc/24/10/45/163241045.db2.gz DIESGISWEOVMDZ-KRWDZBQOSA-N 2 0 258.409 2.994 20 0 CFADRP CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813865 163241434 /nfs/dbraw/zinc/24/14/34/163241434.db2.gz DIESGISWEOVMDZ-QGZVFWFLSA-N 2 0 258.409 2.994 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000352840562 163249002 /nfs/dbraw/zinc/24/90/02/163249002.db2.gz NTXWRFCINJDBNW-NVXWUHKLSA-N 2 0 280.456 2.681 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352839172 163249682 /nfs/dbraw/zinc/24/96/82/163249682.db2.gz IJTBEJVFJWXEOF-SJLPKXTDSA-N 2 0 293.499 2.596 20 0 CFADRP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000352888576 163262034 /nfs/dbraw/zinc/26/20/34/163262034.db2.gz VIPHVIUHVLRGMI-DLBZAZTESA-N 2 0 282.472 2.878 20 0 CFADRP C[N@H+](CC[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924980 163269717 /nfs/dbraw/zinc/26/97/17/163269717.db2.gz NRQMSZBQHHVFFH-VFSICIBPSA-N 2 0 266.429 2.503 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(OC)n2)CC1 ZINC000353133762 163313576 /nfs/dbraw/zinc/31/35/76/163313576.db2.gz AFFWONFCWNVAGX-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CSC1(C[NH2+]Cc2sccc2C)CC[NH+](C)CC1 ZINC000353222174 163319258 /nfs/dbraw/zinc/31/92/58/163319258.db2.gz QACWTGRAEMKLDA-UHFFFAOYSA-N 2 0 284.494 2.974 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C)on2)CC1 ZINC000353257379 163331674 /nfs/dbraw/zinc/33/16/74/163331674.db2.gz AZRSPEKSPVNGIQ-CYBMUJFWSA-N 2 0 265.401 2.756 20 0 CFADRP COCc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353438534 163365210 /nfs/dbraw/zinc/36/52/10/163365210.db2.gz HMICSVVBTPJRSC-UHFFFAOYSA-N 2 0 276.424 2.795 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](CC)c1nccn1C ZINC000353484306 163375491 /nfs/dbraw/zinc/37/54/91/163375491.db2.gz JMAJCXZOSISDFY-KGLIPLIRSA-N 2 0 266.433 2.581 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC(O)CC2)C1 ZINC000353504163 163380220 /nfs/dbraw/zinc/38/02/20/163380220.db2.gz QMKYLSYDHOJKIJ-FXQLRMTLSA-N 2 0 282.472 2.636 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000353514474 163381893 /nfs/dbraw/zinc/38/18/93/163381893.db2.gz GZPWOAKYVNDGGA-NEADZQPHSA-N 2 0 280.456 2.652 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353515307 163383077 /nfs/dbraw/zinc/38/30/77/163383077.db2.gz DPXDRGLXRQLNKC-UHFFFAOYSA-N 2 0 290.451 2.846 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cs1 ZINC000353529573 163386708 /nfs/dbraw/zinc/38/67/08/163386708.db2.gz QPHKEFPLSGONNN-PKSQDBQZSA-N 2 0 267.442 2.975 20 0 CFADRP CC[C@H](F)C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353550997 163393653 /nfs/dbraw/zinc/39/36/53/163393653.db2.gz QBMVUARQBDMGKN-ZDUSSCGKSA-N 2 0 256.365 2.781 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CC2)c1 ZINC000353576069 163399217 /nfs/dbraw/zinc/39/92/17/163399217.db2.gz MVGOYGAUIKVMQY-PBHICJAKSA-N 2 0 288.435 2.657 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccnc1 ZINC000245641972 287023506 /nfs/dbraw/zinc/02/35/06/287023506.db2.gz YVZQFTNESJACAX-BZUAXINKSA-N 2 0 291.439 2.622 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCC[C@H]1C ZINC000449303417 287028070 /nfs/dbraw/zinc/02/80/70/287028070.db2.gz MCIDVDSIUUVDIP-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000423407946 287069647 /nfs/dbraw/zinc/06/96/47/287069647.db2.gz WQHBKLIXQZCWGK-WZRBSPASSA-N 2 0 260.372 2.788 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423406366 287095556 /nfs/dbraw/zinc/09/55/56/287095556.db2.gz KNODRFMOZTUONY-OAGGEKHMSA-N 2 0 282.472 2.807 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000348100212 287102115 /nfs/dbraw/zinc/10/21/15/287102115.db2.gz CVNWRKHHVDBECH-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP Cc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653734 413473843 /nfs/dbraw/zinc/47/38/43/413473843.db2.gz VJRCLNULLGDTFI-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1Cl ZINC000284331532 196032569 /nfs/dbraw/zinc/03/25/69/196032569.db2.gz MHBWCVFGOIAWIC-LLVKDONJSA-N 2 0 295.814 2.656 20 0 CFADRP Cc1ccc(C)c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000020128450 171015340 /nfs/dbraw/zinc/01/53/40/171015340.db2.gz MPLAWTNBTCXGGE-KRWDZBQOSA-N 2 0 289.467 2.592 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000020130202 171019314 /nfs/dbraw/zinc/01/93/14/171019314.db2.gz CMUMOTSAPRKNNF-UHFFFAOYSA-N 2 0 286.423 2.500 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000020145280 171030517 /nfs/dbraw/zinc/03/05/17/171030517.db2.gz NEVOBGQCXACVJQ-UHFFFAOYSA-N 2 0 284.350 2.862 20 0 CFADRP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000020524024 171236369 /nfs/dbraw/zinc/23/63/69/171236369.db2.gz ZFWUKLPJORROLB-DKUMPPAJSA-N 2 0 293.480 2.566 20 0 CFADRP C[C@H](c1ccncc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659024 413479068 /nfs/dbraw/zinc/47/90/68/413479068.db2.gz LYMRTYQMSGNPNQ-ZBFHGGJFSA-N 2 0 259.397 2.560 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657348121 413481078 /nfs/dbraw/zinc/48/10/78/413481078.db2.gz LDRYTTHIHAWEGI-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP Cc1c[nH]c(CNC[C@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000657357777 413491654 /nfs/dbraw/zinc/49/16/54/413491654.db2.gz DAHJVPVGWJQZNS-MRXNPFEDSA-N 2 0 290.455 2.852 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CO1 ZINC000657362980 413502294 /nfs/dbraw/zinc/50/22/94/413502294.db2.gz DDTFZHNQWRXJGR-MJBXVCDLSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000660698326 413503499 /nfs/dbraw/zinc/50/34/99/413503499.db2.gz PJKNKRWJIBYGGQ-MRXNPFEDSA-N 2 0 284.488 2.741 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCCc2cccnc21)C1CC1 ZINC000651491427 413505899 /nfs/dbraw/zinc/50/58/99/413505899.db2.gz GUVZEGHRFQFNME-INIZCTEOSA-N 2 0 273.424 2.923 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000657385222 413536875 /nfs/dbraw/zinc/53/68/75/413536875.db2.gz SRJHFHOBHZQZMO-RDJZCZTQSA-N 2 0 280.456 2.941 20 0 CFADRP CCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657388014 413540962 /nfs/dbraw/zinc/54/09/62/413540962.db2.gz ADSURTUPBWBTCO-UHFFFAOYSA-N 2 0 256.353 2.547 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3cnccc3o2)CCN1C ZINC000651644541 413543999 /nfs/dbraw/zinc/54/39/99/413543999.db2.gz VESWAKAOEDCICP-OCCSQVGLSA-N 2 0 273.380 2.742 20 0 CFADRP FC1(F)CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657401337 413561434 /nfs/dbraw/zinc/56/14/34/413561434.db2.gz BQFTUZPCLINGHD-LBPRGKRZSA-N 2 0 292.333 2.935 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651676519 413562632 /nfs/dbraw/zinc/56/26/32/413562632.db2.gz CNALXBXZIIEBNK-ZWKOTPCHSA-N 2 0 295.515 2.963 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@]2(C)CC)CC1 ZINC000651677810 413564971 /nfs/dbraw/zinc/56/49/71/413564971.db2.gz VPLNQOZNKZZBMY-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000651706035 413580402 /nfs/dbraw/zinc/58/04/02/413580402.db2.gz PWQVCCCDGZPFCS-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000651732108 413597367 /nfs/dbraw/zinc/59/73/67/413597367.db2.gz JIECEHPMFGIALD-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651732336 413599161 /nfs/dbraw/zinc/59/91/61/413599161.db2.gz RROICFIQPKFNBW-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000651787600 413638138 /nfs/dbraw/zinc/63/81/38/413638138.db2.gz YMYLINZVSBXUPN-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000651823147 413669013 /nfs/dbraw/zinc/66/90/13/413669013.db2.gz YDXAJCSDXHGIBP-WIGRTHMWSA-N 2 0 268.445 2.652 20 0 CFADRP COc1c2ccccc2oc1CNCc1cnc2n1CCC2 ZINC000657447463 413616031 /nfs/dbraw/zinc/61/60/31/413616031.db2.gz YFHDXNSFLPTIFH-UHFFFAOYSA-N 2 0 297.358 2.874 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753576 413616636 /nfs/dbraw/zinc/61/66/36/413616636.db2.gz WJBGSPVKADONJN-DLBZAZTESA-N 2 0 281.488 2.571 20 0 CFADRP COCC1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000651865342 413683517 /nfs/dbraw/zinc/68/35/17/413683517.db2.gz VHIMWWBJYLJBQK-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H]1CO[C@@H](C)C1)C1CCCCC1 ZINC000651910046 413708250 /nfs/dbraw/zinc/70/82/50/413708250.db2.gz FNMBQGURJRBODR-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@H+](CCC[NH2+]C[C@@H](C)COC)C1CCCCC1 ZINC000651910252 413710494 /nfs/dbraw/zinc/71/04/94/413710494.db2.gz MNXCZTUACYCCND-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP CCC[C@H](C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535315 413718180 /nfs/dbraw/zinc/71/81/80/413718180.db2.gz JHRKZEPFAYTYIG-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000651928767 413719822 /nfs/dbraw/zinc/71/98/22/413719822.db2.gz SSXLCMKPSHOPEL-SFHVURJKSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000657613520 413792643 /nfs/dbraw/zinc/79/26/43/413792643.db2.gz MISLQNZQCOAINL-RKVPGOIHSA-N 2 0 287.451 2.928 20 0 CFADRP CC[C@@H](C)[NH+](CC)CC(O)C[N@@H+](CC)[C@H](C)CC ZINC000661107847 413760375 /nfs/dbraw/zinc/76/03/75/413760375.db2.gz NYTHMOXECWSGNX-ZIAGYGMSSA-N 2 0 258.450 2.588 20 0 CFADRP CCc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000657574523 413762769 /nfs/dbraw/zinc/76/27/69/413762769.db2.gz XSLAIEWZISBYIC-AWEZNQCLSA-N 2 0 297.512 2.672 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657593547 413777429 /nfs/dbraw/zinc/77/74/29/413777429.db2.gz AJAVMNOAORNHBW-OLMNPRSZSA-N 2 0 288.435 2.531 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000652042187 413787966 /nfs/dbraw/zinc/78/79/66/413787966.db2.gz MODDHXPCUJNKPZ-UHFFFAOYSA-N 2 0 282.391 2.998 20 0 CFADRP c1ccc(O[C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657647596 413818944 /nfs/dbraw/zinc/81/89/44/413818944.db2.gz MINWRBWUTILVFZ-YFHUEUNASA-N 2 0 286.419 2.813 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1ccccc1F)[C@H](C)O)C1CC[NH+](C)CC1 ZINC000652230523 413838916 /nfs/dbraw/zinc/83/89/16/413838916.db2.gz NNFLRZYBJVMEBS-IIYDPXPESA-N 2 0 294.414 2.568 20 0 CFADRP Cc1ccnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000664679818 413899921 /nfs/dbraw/zinc/89/99/21/413899921.db2.gz VHECVPUIKHSCNA-OAHLLOKOSA-N 2 0 259.397 2.924 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccccn1 ZINC000652341553 413901815 /nfs/dbraw/zinc/90/18/15/413901815.db2.gz ZBMMJTXZIGPXFJ-ZDUSSCGKSA-N 2 0 267.376 2.578 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000036993469 172855245 /nfs/dbraw/zinc/85/52/45/172855245.db2.gz BFANJHQGEGJHPH-CHWSQXEVSA-N 2 0 250.386 2.531 20 0 CFADRP COCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285590072 196336153 /nfs/dbraw/zinc/33/61/53/196336153.db2.gz OVRWADWBINHONC-GOSISDBHSA-N 2 0 288.435 2.621 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813705 413960909 /nfs/dbraw/zinc/96/09/09/413960909.db2.gz YGTLBOVJHQWGDX-AWEZNQCLSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cccn2c(C[NH2+][C@@H](c3ccccc3)[C@H](C)O)cnc12 ZINC000657814966 413961172 /nfs/dbraw/zinc/96/11/72/413961172.db2.gz GUDSLBVGJDTWLI-WMLDXEAASA-N 2 0 295.386 2.854 20 0 CFADRP Cc1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657814022 413962768 /nfs/dbraw/zinc/96/27/68/413962768.db2.gz FORXCMHXUVUJIA-UHFFFAOYSA-N 2 0 279.453 2.663 20 0 CFADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000657824372 413978975 /nfs/dbraw/zinc/97/89/75/413978975.db2.gz PUHWYYCVHVOJSY-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000657829303 413984424 /nfs/dbraw/zinc/98/44/24/413984424.db2.gz XZSFFQKQENZYEE-MRXNPFEDSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@H](C[NH2+]C1CC(CF)(CF)C1)N1CCCC[C@H]1C ZINC000657834965 413988046 /nfs/dbraw/zinc/98/80/46/413988046.db2.gz JLKBGIDDZRJLRH-CHWSQXEVSA-N 2 0 274.399 2.927 20 0 CFADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000657879136 414020749 /nfs/dbraw/zinc/02/07/49/414020749.db2.gz KGOXJFKZQHTBLB-NCOADZHNSA-N 2 0 294.483 2.638 20 0 CFADRP c1cc2n(n1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000657881179 414023589 /nfs/dbraw/zinc/02/35/89/414023589.db2.gz WWNJKRGMWJGDED-INIZCTEOSA-N 2 0 290.455 2.964 20 0 CFADRP C[N@H+](CC[C@@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285651026 196355044 /nfs/dbraw/zinc/35/50/44/196355044.db2.gz YLECUQCOURVQDS-UJJTZGENSA-N 2 0 288.435 2.667 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408308 173184925 /nfs/dbraw/zinc/18/49/25/173184925.db2.gz BWUVKCWPGIGJSD-LBPRGKRZSA-N 2 0 250.411 2.630 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067351 414153761 /nfs/dbraw/zinc/15/37/61/414153761.db2.gz MVUQOEAIRWELSN-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC[NH+](C2CCOCC2)CC1 ZINC000658071777 414154697 /nfs/dbraw/zinc/15/46/97/414154697.db2.gz ZCDNYHLUOJYEHT-CGTJXYLNSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1C ZINC000658127557 414220895 /nfs/dbraw/zinc/22/08/95/414220895.db2.gz NFNRYMNAHMSJFT-HOCLYGCPSA-N 2 0 283.419 2.850 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1C ZINC000658127560 414221188 /nfs/dbraw/zinc/22/11/88/414221188.db2.gz NFNRYMNAHMSJFT-ZBFHGGJFSA-N 2 0 283.419 2.850 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000665265130 414221243 /nfs/dbraw/zinc/22/12/43/414221243.db2.gz QFESLLZHRQGDDR-NSHDSACASA-N 2 0 291.222 2.837 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665265359 414221663 /nfs/dbraw/zinc/22/16/63/414221663.db2.gz WGKBWXSRUKSLBG-FPMFFAJLSA-N 2 0 268.351 2.580 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)co1 ZINC000665263871 414222153 /nfs/dbraw/zinc/22/21/53/414222153.db2.gz WWWVQLVGKMJNND-BZUAXINKSA-N 2 0 262.397 2.723 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1(F)F ZINC000665267171 414226397 /nfs/dbraw/zinc/22/63/97/414226397.db2.gz QWCJVSIJUIICDP-MQYQWHSLSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1(F)F ZINC000665267170 414226453 /nfs/dbraw/zinc/22/64/53/414226453.db2.gz QWCJVSIJUIICDP-DGAVXFQQSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH+]ccc1N ZINC000665267301 414226642 /nfs/dbraw/zinc/22/66/42/414226642.db2.gz UFXCOKPNXRLAQL-UONOGXRCSA-N 2 0 288.439 2.552 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137536 414226713 /nfs/dbraw/zinc/22/67/13/414226713.db2.gz JTXIZAIOCBUEHZ-SJORKVTESA-N 2 0 288.435 2.531 20 0 CFADRP CCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139128 414232365 /nfs/dbraw/zinc/23/23/65/414232365.db2.gz LDGHNGQDGAWHQA-YOEHRIQHSA-N 2 0 276.424 2.531 20 0 CFADRP C[C@H](CC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658140320 414233038 /nfs/dbraw/zinc/23/30/38/414233038.db2.gz PWBLXJLDSBRLGU-RDTXWAMCSA-N 2 0 288.435 2.531 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277728 414238584 /nfs/dbraw/zinc/23/85/84/414238584.db2.gz JYRFJAJPMDTDIC-WJEHIRDRSA-N 2 0 250.430 2.933 20 0 CFADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665232128 414193292 /nfs/dbraw/zinc/19/32/92/414193292.db2.gz GRQLPYOTZULUJD-GVDBMIGSSA-N 2 0 273.424 2.669 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665235035 414195014 /nfs/dbraw/zinc/19/50/14/414195014.db2.gz OQWOLYHIDPCJJV-VBNZEHGJSA-N 2 0 264.388 2.925 20 0 CFADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)C1 ZINC000665238865 414198157 /nfs/dbraw/zinc/19/81/57/414198157.db2.gz GHAXVIYDDKUREN-PYTCMNEWSA-N 2 0 294.483 2.805 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244492 414201919 /nfs/dbraw/zinc/20/19/19/414201919.db2.gz OXWVTKPVSJJQKN-SMDDNHRTSA-N 2 0 278.371 2.584 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000665246752 414204861 /nfs/dbraw/zinc/20/48/61/414204861.db2.gz MVPJVPKZAGRNLB-IAGOWNOFSA-N 2 0 260.425 2.953 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244899 414205213 /nfs/dbraw/zinc/20/52/13/414205213.db2.gz ZDNYUBYJLARGLD-LBPRGKRZSA-N 2 0 280.387 2.974 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000665258840 414217954 /nfs/dbraw/zinc/21/79/54/414217954.db2.gz MZSPIMZHRNDDBT-QMWOBKFGSA-N 2 0 276.399 2.905 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC(C)(C)F ZINC000665262364 414218231 /nfs/dbraw/zinc/21/82/31/414218231.db2.gz ZMSHGHCEOJYTRU-OCCSQVGLSA-N 2 0 252.377 2.673 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000665264793 414219905 /nfs/dbraw/zinc/21/99/05/414219905.db2.gz IHMKPQPPLOGYGX-USXIJHARSA-N 2 0 297.446 2.699 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1cccc2F ZINC000665280892 414242023 /nfs/dbraw/zinc/24/20/23/414242023.db2.gz OCEXFBQPBRZORC-CABCVRRESA-N 2 0 250.361 2.776 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281527 414244284 /nfs/dbraw/zinc/24/42/84/414244284.db2.gz FSKUAMMBDIDJMH-KFWWJZLASA-N 2 0 270.461 2.789 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000665281551 414245668 /nfs/dbraw/zinc/24/56/68/414245668.db2.gz GQOSLRBWBKQOMZ-QKPAOTATSA-N 2 0 268.445 2.545 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283315 414248452 /nfs/dbraw/zinc/24/84/52/414248452.db2.gz LJPRHZXEINNLRX-CABZTGNLSA-N 2 0 288.313 2.644 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000665282033 414248535 /nfs/dbraw/zinc/24/85/35/414248535.db2.gz PGDMVXUWPHOIPO-DLBZAZTESA-N 2 0 260.425 2.897 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000665281809 414249700 /nfs/dbraw/zinc/24/97/00/414249700.db2.gz LBZBOZJGVATQIS-HUUCEWRRSA-N 2 0 265.376 2.635 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665285989 414261438 /nfs/dbraw/zinc/26/14/38/414261438.db2.gz BVJHLHLXQYSHRM-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(c2ccccc2)CC1(C)C)C1C[NH2+]C1 ZINC000665299064 414271825 /nfs/dbraw/zinc/27/18/25/414271825.db2.gz FRLPCNFWUPOMDZ-DYVFJYSZSA-N 2 0 258.409 2.552 20 0 CFADRP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665300091 414271998 /nfs/dbraw/zinc/27/19/98/414271998.db2.gz YGFGXEHSGFKOKM-GMXVVIOVSA-N 2 0 299.340 2.578 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)F)[C@H](C)C1 ZINC000658192178 414275426 /nfs/dbraw/zinc/27/54/26/414275426.db2.gz AGSGBKMQKFQNFX-CABCVRRESA-N 2 0 288.451 2.851 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])CC(F)(F)F ZINC000665301304 414276333 /nfs/dbraw/zinc/27/63/33/414276333.db2.gz UGZXKOIFEWGCIQ-ZJUUUORDSA-N 2 0 252.324 2.682 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000665301074 414276517 /nfs/dbraw/zinc/27/65/17/414276517.db2.gz NVJPWPLUCAYGIC-QWRGUYRKSA-N 2 0 266.351 2.943 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@@H]2CCC[C@@H]21 ZINC000658218205 414291633 /nfs/dbraw/zinc/29/16/33/414291633.db2.gz CYJHGOKGKHFLSM-XDQVBPFNSA-N 2 0 272.383 2.884 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658225022 414295295 /nfs/dbraw/zinc/29/52/95/414295295.db2.gz RBUHFNRCFSHSST-AVGNSLFASA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000658222197 414296020 /nfs/dbraw/zinc/29/60/20/414296020.db2.gz QAEQCWPMOZGUHO-DGCLKSJQSA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658225025 414300743 /nfs/dbraw/zinc/30/07/43/414300743.db2.gz RBUHFNRCFSHSST-FRRDWIJNSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CC[NH+](C)CC1 ZINC000658281198 414336441 /nfs/dbraw/zinc/33/64/41/414336441.db2.gz NRIZUGSNWOCVDI-ZYHUDNBSSA-N 2 0 260.372 2.598 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CC[NH+](C)CC1 ZINC000658281194 414337205 /nfs/dbraw/zinc/33/72/05/414337205.db2.gz NRIZUGSNWOCVDI-CMPLNLGQSA-N 2 0 260.372 2.598 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)[C@H](C)C1 ZINC000658285765 414345407 /nfs/dbraw/zinc/34/54/07/414345407.db2.gz YEAUTUKQLZWGHY-GRYCIOLGSA-N 2 0 260.372 2.598 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655703138 414375850 /nfs/dbraw/zinc/37/58/50/414375850.db2.gz MBFJGJZPHHAHDY-OAHLLOKOSA-N 2 0 292.471 2.820 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658330027 414378140 /nfs/dbraw/zinc/37/81/40/414378140.db2.gz BRLDYYDCGKXYDD-DZUCGIPZSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000655720363 414389494 /nfs/dbraw/zinc/38/94/94/414389494.db2.gz UOXLUCQBHZVCRE-CQSZACIVSA-N 2 0 291.439 2.863 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000655774885 414424155 /nfs/dbraw/zinc/42/41/55/414424155.db2.gz KUIGLJPOLGJTIL-AAEUAGOBSA-N 2 0 261.394 2.708 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000655776834 414426296 /nfs/dbraw/zinc/42/62/96/414426296.db2.gz MHNKARRMZLELQM-NELGMTEASA-N 2 0 256.459 2.733 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655792502 414437544 /nfs/dbraw/zinc/43/75/44/414437544.db2.gz JUDFFUXHALDURJ-KGLIPLIRSA-N 2 0 258.475 2.838 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CCc1ccncc1C ZINC000662176475 414442662 /nfs/dbraw/zinc/44/26/62/414442662.db2.gz BBLUOUAQJQXHPJ-UHFFFAOYSA-N 2 0 263.429 2.643 20 0 CFADRP CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000655839931 414473252 /nfs/dbraw/zinc/47/32/52/414473252.db2.gz YYTQLNCNTFDAGL-APIJFGDWSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C2CCCC2)c1 ZINC000655804075 414449520 /nfs/dbraw/zinc/44/95/20/414449520.db2.gz OAFKAFYPWDULKP-CPUCHLNUSA-N 2 0 290.455 2.989 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655804748 414449527 /nfs/dbraw/zinc/44/95/27/414449527.db2.gz AGVWQKFHSIVYQP-FZKCQIBNSA-N 2 0 282.472 2.756 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804127 414449594 /nfs/dbraw/zinc/44/95/94/414449594.db2.gz QTPOBFIMSOWLPV-PVXIVEMSSA-N 2 0 292.398 2.751 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804126 414449647 /nfs/dbraw/zinc/44/96/47/414449647.db2.gz QTPOBFIMSOWLPV-GHJWDPDVSA-N 2 0 292.398 2.751 20 0 CFADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000662243957 414473361 /nfs/dbraw/zinc/47/33/61/414473361.db2.gz DVCRZIFBVGGTIF-KGLIPLIRSA-N 2 0 294.464 2.847 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000655805511 414450385 /nfs/dbraw/zinc/45/03/85/414450385.db2.gz ILLPWYGHJIGHFB-RHNCMZPLSA-N 3 0 293.499 2.713 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(CC)CC ZINC000655805422 414450546 /nfs/dbraw/zinc/45/05/46/414450546.db2.gz NLZYHWSBXKJWTB-XUWVNRHRSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806156 414450736 /nfs/dbraw/zinc/45/07/36/414450736.db2.gz ZXZKTBGFGCVXOW-YOKBYHGQSA-N 2 0 258.409 2.850 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000655806039 414451014 /nfs/dbraw/zinc/45/10/14/414451014.db2.gz XNOCNBMYKQEGBL-WQAKAFBOSA-N 2 0 267.442 2.751 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000655805365 414451055 /nfs/dbraw/zinc/45/10/55/414451055.db2.gz MTWZCHPJIKJCFV-BPQIPLTHSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805460 414451063 /nfs/dbraw/zinc/45/10/63/414451063.db2.gz HRKVIGRWIUFGAL-UPJWGTAASA-N 2 0 252.427 2.609 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1N(C)C ZINC000655805744 414451081 /nfs/dbraw/zinc/45/10/81/414451081.db2.gz RVPSEJDYKHEVLE-SOUVJXGZSA-N 2 0 275.440 2.743 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000655806812 414451724 /nfs/dbraw/zinc/45/17/24/414451724.db2.gz BUBXKJRSWYMYPJ-LXZKKBNFSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1nc2ccccc2n1C ZINC000655805618 414451802 /nfs/dbraw/zinc/45/18/02/414451802.db2.gz QFDWDZIWHUHTQZ-MELADBBJSA-N 2 0 286.423 2.564 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(CC)CC ZINC000655805419 414451888 /nfs/dbraw/zinc/45/18/88/414451888.db2.gz NLZYHWSBXKJWTB-FZKCQIBNSA-N 2 0 282.472 2.900 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655826039 414462424 /nfs/dbraw/zinc/46/24/24/414462424.db2.gz DQMNEILRTJAXFA-BETUJISGSA-N 2 0 282.815 2.778 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824737 414462611 /nfs/dbraw/zinc/46/26/11/414462611.db2.gz OCXHXTXRXKGJKM-WOVMCDHWSA-N 2 0 298.434 2.611 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000662236770 414467748 /nfs/dbraw/zinc/46/77/48/414467748.db2.gz HFBXBEZSHMNAGA-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC000662236773 414469125 /nfs/dbraw/zinc/46/91/25/414469125.db2.gz HFBXBEZSHMNAGA-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2nccn21 ZINC000658353108 414397945 /nfs/dbraw/zinc/39/79/45/414397945.db2.gz JYHSGISLNIUKJC-XJKSGUPXSA-N 2 0 288.439 2.601 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352184 414398263 /nfs/dbraw/zinc/39/82/63/414398263.db2.gz DSLQJFRSUDIQGS-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000658352400 414398910 /nfs/dbraw/zinc/39/89/10/414398910.db2.gz GBDZDOZLHUKBAU-IOASZLSFSA-N 2 0 250.430 2.743 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658355079 414399896 /nfs/dbraw/zinc/39/98/96/414399896.db2.gz AMQCJATZNSCDGX-UHFFFAOYSA-N 3 0 293.499 2.572 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccn(C)n1 ZINC000658356754 414401320 /nfs/dbraw/zinc/40/13/20/414401320.db2.gz PCDVBZJMRDNEGA-MRXNPFEDSA-N 2 0 290.455 2.583 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354635 414401598 /nfs/dbraw/zinc/40/15/98/414401598.db2.gz DWKJRMNUYNZMHE-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC000662245280 414474880 /nfs/dbraw/zinc/47/48/80/414474880.db2.gz JSTLUHBDOZSJRZ-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250221 414475849 /nfs/dbraw/zinc/47/58/49/414475849.db2.gz BAMMRYNJOUCFGD-DLBZAZTESA-N 2 0 286.419 2.653 20 0 CFADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1ccc(F)cc1 ZINC000662251637 414476501 /nfs/dbraw/zinc/47/65/01/414476501.db2.gz GZFUFAAKTSBEOZ-BBRMVZONSA-N 2 0 292.398 2.730 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cccnc1 ZINC000655848792 414476683 /nfs/dbraw/zinc/47/66/83/414476683.db2.gz KVVFSTJOSMZDSV-BPUTZDHNSA-N 2 0 259.397 2.749 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000655848761 414477625 /nfs/dbraw/zinc/47/76/25/414477625.db2.gz KDDGWEUNQQIOFA-OAGGEKHMSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256433 414479550 /nfs/dbraw/zinc/47/95/50/414479550.db2.gz LLQRYEVZFGHXMD-JKSUJKDBSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)C[C@@H]1COCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662254930 414480262 /nfs/dbraw/zinc/48/02/62/414480262.db2.gz MVSAKFBCMAXHPR-QGZVFWFLSA-N 2 0 288.435 2.579 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254558 414480289 /nfs/dbraw/zinc/48/02/89/414480289.db2.gz JPCHLRMGYIQNHO-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](CCc1nsc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000662266053 414485249 /nfs/dbraw/zinc/48/52/49/414485249.db2.gz DPAJBGMYYADKJR-ZDUSSCGKSA-N 2 0 289.448 2.913 20 0 CFADRP C(CC1CCC1)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662273481 414488889 /nfs/dbraw/zinc/48/88/89/414488889.db2.gz NDXGDDLSGGAFAR-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@H]1C[N@H+](CCSc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000662273353 414489343 /nfs/dbraw/zinc/48/93/43/414489343.db2.gz URKIUDAVAXCZRL-BBRMVZONSA-N 2 0 294.464 2.847 20 0 CFADRP c1ccc(COCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000662275437 414490721 /nfs/dbraw/zinc/49/07/21/414490721.db2.gz CJBNOZRVDWQMQN-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000662277077 414492819 /nfs/dbraw/zinc/49/28/19/414492819.db2.gz QSLYQRJQVJQABJ-RCCFBDPRSA-N 2 0 288.435 2.838 20 0 CFADRP CO[C@H](C[NH+]1CCC(CC[NH3+])CC1)C1CCCCC1 ZINC000662282547 414494379 /nfs/dbraw/zinc/49/43/79/414494379.db2.gz CBDRUSTXKYJAML-MRXNPFEDSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C[C@@H]1C[NH3+] ZINC000662283449 414494417 /nfs/dbraw/zinc/49/44/17/414494417.db2.gz TZQALXHUYGAULV-OLZOCXBDSA-N 2 0 289.448 2.756 20 0 CFADRP COc1cccc(SCC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000662283660 414495148 /nfs/dbraw/zinc/49/51/48/414495148.db2.gz INVKKDXZNWSMFJ-UHFFFAOYSA-N 2 0 294.464 2.848 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1noc2ccccc21 ZINC000655939978 414495261 /nfs/dbraw/zinc/49/52/61/414495261.db2.gz WRVJIQPIMFEFBK-ZDUSSCGKSA-N 2 0 273.380 2.574 20 0 CFADRP C[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000655939442 414495376 /nfs/dbraw/zinc/49/53/76/414495376.db2.gz GYZRDJKXSULYPV-STQMWFEESA-N 2 0 282.378 2.814 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655938637 414495560 /nfs/dbraw/zinc/49/55/60/414495560.db2.gz ZQYXHEJPLIPECS-UHFFFAOYSA-N 2 0 282.378 2.829 20 0 CFADRP CO[C@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000662283966 414495570 /nfs/dbraw/zinc/49/55/70/414495570.db2.gz SGRAOZBHYLMEDJ-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCc1noc3ccccc31)CC[NH2+]CC2 ZINC000655939161 414495700 /nfs/dbraw/zinc/49/57/00/414495700.db2.gz COJHNIGTIFCTEP-AWEZNQCLSA-N 2 0 299.418 2.834 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1noc2ccccc21 ZINC000655939977 414495928 /nfs/dbraw/zinc/49/59/28/414495928.db2.gz WRVJIQPIMFEFBK-CYBMUJFWSA-N 2 0 273.380 2.574 20 0 CFADRP C[NH2+]C[C@H]1CCN(Cc2cc(C(C)C)ccc2OC)C1 ZINC000655937643 414496215 /nfs/dbraw/zinc/49/62/15/414496215.db2.gz DNONQYVUZHQBOY-CQSZACIVSA-N 2 0 276.424 2.860 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CCCC1 ZINC000662286191 414496958 /nfs/dbraw/zinc/49/69/58/414496958.db2.gz PMDLFZWPLGXUAQ-VNQPRFMTSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)(CC[NH+]1CCC2(CC[NH2+]C2)CC1)C1CC1 ZINC000655941485 414497486 /nfs/dbraw/zinc/49/74/86/414497486.db2.gz VIXVYEHQXXNFJL-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000662299817 414498434 /nfs/dbraw/zinc/49/84/34/414498434.db2.gz XOCPXZXLXFYMSQ-CQSZACIVSA-N 2 0 283.419 2.916 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296498 414498917 /nfs/dbraw/zinc/49/89/17/414498917.db2.gz LDICTSIIRXRQJI-KRWDZBQOSA-N 2 0 282.472 2.761 20 0 CFADRP C([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662294984 414499600 /nfs/dbraw/zinc/49/96/00/414499600.db2.gz JDOVLPRMZREJBZ-LSDHHAIUSA-N 2 0 278.440 2.600 20 0 CFADRP [NH3+]C[C@H]1CCc2ccccc2N1CCCC1CC[NH2+]CC1 ZINC000662304887 414500873 /nfs/dbraw/zinc/50/08/73/414500873.db2.gz NNCMQNXPRQGAIE-QGZVFWFLSA-N 2 0 287.451 2.546 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCCCO2)CC1)C1CC[NH2+]CC1 ZINC000662311746 414503493 /nfs/dbraw/zinc/50/34/93/414503493.db2.gz DFKPMJUEKYHSJH-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP FCC[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662310236 414504050 /nfs/dbraw/zinc/50/40/50/414504050.db2.gz ILKTYTDOFNPECG-CQSZACIVSA-N 2 0 276.399 2.904 20 0 CFADRP C(C1CCC1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662318529 414505913 /nfs/dbraw/zinc/50/59/13/414505913.db2.gz BBOKZEXIYJDQDX-CVEARBPZSA-N 2 0 278.440 2.552 20 0 CFADRP CCCCc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662314596 414506053 /nfs/dbraw/zinc/50/60/53/414506053.db2.gz OLZVWPIKDSXWCB-ZIAGYGMSSA-N 2 0 294.443 2.752 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662326854 414506992 /nfs/dbraw/zinc/50/69/92/414506992.db2.gz DVHIGKLYCROQLQ-HDICACEKSA-N 2 0 292.467 2.659 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000662325205 414507542 /nfs/dbraw/zinc/50/75/42/414507542.db2.gz CQFAKWVJDIEZOX-RCCFBDPRSA-N 2 0 288.435 2.585 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCc2ccsc2)CCO1 ZINC000662325995 414507605 /nfs/dbraw/zinc/50/76/05/414507605.db2.gz SIBMBEXLHJUFHW-MRXNPFEDSA-N 2 0 296.480 2.723 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662325382 414507638 /nfs/dbraw/zinc/50/76/38/414507638.db2.gz MMRZTMPUHHJEKY-BRWVUGGUSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)CCO1 ZINC000662323725 414507709 /nfs/dbraw/zinc/50/77/09/414507709.db2.gz PTATZYFEZFQXRV-SJLPKXTDSA-N 2 0 288.435 2.717 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C[C@H]2CC2(C)C)cc1 ZINC000662331996 414508756 /nfs/dbraw/zinc/50/87/56/414508756.db2.gz RJPFWJSDWZNPTF-HUUCEWRRSA-N 2 0 276.424 2.715 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000656193291 414530029 /nfs/dbraw/zinc/53/00/29/414530029.db2.gz FERAPOWMNAXZMY-JXQTWKCFSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000656192967 414530232 /nfs/dbraw/zinc/53/02/32/414530232.db2.gz AFTWZPRPRFVOAD-ZIAGYGMSSA-N 2 0 252.789 2.742 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000656193891 414530611 /nfs/dbraw/zinc/53/06/11/414530611.db2.gz XGWIGBKOAYDRTH-CVEARBPZSA-N 2 0 281.488 2.891 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CCO2 ZINC000656198379 414531811 /nfs/dbraw/zinc/53/18/11/414531811.db2.gz RWTAGYQYRQKBLO-HEHGZKQESA-N 2 0 290.407 2.768 20 0 CFADRP COCC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C)o1 ZINC000656197845 414531993 /nfs/dbraw/zinc/53/19/93/414531993.db2.gz BVZZSARISJWLLG-IHRRRGAJSA-N 2 0 266.385 2.525 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@H]3C[C@@H]([NH+](C)C)C3)c2c1 ZINC000656212095 414539183 /nfs/dbraw/zinc/53/91/83/414539183.db2.gz ZLGGSNKUCPIXGA-OKILXGFUSA-N 2 0 269.392 2.717 20 0 CFADRP CCc1ccc([C@H]2CCCN2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000659938382 414622824 /nfs/dbraw/zinc/62/28/24/414622824.db2.gz KYMLYLSOEFVUIH-GOEBONIOSA-N 2 0 294.439 2.680 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659944343 414624905 /nfs/dbraw/zinc/62/49/05/414624905.db2.gz JHBDOGVLRFMOHM-DLBZAZTESA-N 2 0 280.456 2.752 20 0 CFADRP CC[C@@H](CC(F)F)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000659945489 414625029 /nfs/dbraw/zinc/62/50/29/414625029.db2.gz BLAUXBMYORRRTA-QWHCGFSZSA-N 2 0 262.388 2.941 20 0 CFADRP c1cc2cc(NC3CC[NH+]([C@@H]4CCOC4)CC3)ccc2c[nH+]1 ZINC000656263234 414552408 /nfs/dbraw/zinc/55/24/08/414552408.db2.gz FDESCVVAAOSGRR-GOSISDBHSA-N 2 0 297.402 2.900 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000656268781 414554148 /nfs/dbraw/zinc/55/41/48/414554148.db2.gz GYMMQJLCTZEFKE-YIYPIFLZSA-N 2 0 270.486 2.836 20 0 CFADRP C[C@H](CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[NH+](C)C ZINC000662634171 414581907 /nfs/dbraw/zinc/58/19/07/414581907.db2.gz QQMINNHVQYZHLG-ZBFHGGJFSA-N 2 0 297.487 2.521 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCC1 ZINC000659974452 414638450 /nfs/dbraw/zinc/63/84/50/414638450.db2.gz MGAHCBSWFZWCJB-SJLPKXTDSA-N 2 0 294.483 2.855 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCC[NH2+]C2)CC1 ZINC000414825819 287288502 /nfs/dbraw/zinc/28/85/02/287288502.db2.gz HUARFBPOECUSRI-RYRKJORJSA-N 2 0 293.499 2.619 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000660010675 414649019 /nfs/dbraw/zinc/64/90/19/414649019.db2.gz KTKMIPXZJROHGM-RCCFBDPRSA-N 2 0 294.483 2.998 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000659983792 414642573 /nfs/dbraw/zinc/64/25/73/414642573.db2.gz VWKKNQIKQIGTIR-XDNAFOTISA-N 2 0 295.515 2.769 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659989084 414643563 /nfs/dbraw/zinc/64/35/63/414643563.db2.gz BIWDDJWKDIZCQI-QXSJWSMHSA-N 2 0 250.430 2.696 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000659997113 414646172 /nfs/dbraw/zinc/64/61/72/414646172.db2.gz MBHVWDFBQHXMAP-NJAFHUGGSA-N 2 0 290.451 2.566 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000660083555 414660457 /nfs/dbraw/zinc/66/04/57/414660457.db2.gz UQUAVWDXUNLLKM-MHORFTMASA-N 2 0 295.515 2.626 20 0 CFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660014353 414650570 /nfs/dbraw/zinc/65/05/70/414650570.db2.gz SWRSZMRFAOSKHZ-JYJNAYRXSA-N 2 0 270.461 2.588 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040622198 174355225 /nfs/dbraw/zinc/35/52/25/174355225.db2.gz LKUISHLEAKJCHC-ZDUSSCGKSA-N 2 0 252.427 2.876 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040623243 174355466 /nfs/dbraw/zinc/35/54/66/174355466.db2.gz PGECSAXUZSAMMY-CRAIPNDOSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H]1CCC[C@@](CNC(=O)CCCCCC[NH3+])([NH+](C)C)C1 ZINC000040670683 174368929 /nfs/dbraw/zinc/36/89/29/174368929.db2.gz ZRIVBBIBQUJUHF-DOTOQJQBSA-N 2 0 297.487 2.522 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746843 174392373 /nfs/dbraw/zinc/39/23/73/174392373.db2.gz NYOHTDXKCWUTAB-XYPWUTKMSA-N 2 0 274.408 2.670 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000040770134 174399758 /nfs/dbraw/zinc/39/97/58/174399758.db2.gz PYUSZZFMUBOSPJ-WMZOPIPTSA-N 2 0 289.467 2.609 20 0 CFADRP C([NH2+][C@@H]1CCCSC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343981 414677122 /nfs/dbraw/zinc/67/71/22/414677122.db2.gz LIDBPVNXTLOBIQ-LSDHHAIUSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346221 414678018 /nfs/dbraw/zinc/67/80/18/414678018.db2.gz QYEXAFRMZDCSEZ-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663347391 414678313 /nfs/dbraw/zinc/67/83/13/414678313.db2.gz YNBCUVMPRYORNM-UHFFFAOYSA-N 2 0 258.369 2.848 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000044511886 175188131 /nfs/dbraw/zinc/18/81/31/175188131.db2.gz RCYUWWNORGICPU-UHFFFAOYSA-N 2 0 272.314 2.876 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000044511989 175188195 /nfs/dbraw/zinc/18/81/95/175188195.db2.gz LQKMXRUXLPYYCB-UHFFFAOYSA-N 2 0 288.313 2.756 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000044514261 175189207 /nfs/dbraw/zinc/18/92/07/175189207.db2.gz RZXNSFRFERNWPO-UHFFFAOYSA-N 2 0 271.364 2.512 20 0 CFADRP CCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044515152 175189892 /nfs/dbraw/zinc/18/98/92/175189892.db2.gz NCMMMBPQCRUMAW-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515611 175189911 /nfs/dbraw/zinc/18/99/11/175189911.db2.gz GDWCIGFJCUDBEN-OAHLLOKOSA-N 2 0 260.425 2.939 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000044534347 175197051 /nfs/dbraw/zinc/19/70/51/175197051.db2.gz XUEBIUPNKQSJPB-CQSZACIVSA-N 2 0 284.407 2.508 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCCC[NH+](C)C ZINC000045663502 175382333 /nfs/dbraw/zinc/38/23/33/175382333.db2.gz YHAYGVOZBPZSFO-AWEZNQCLSA-N 2 0 264.413 2.645 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]CCC[NH+]3CCCC3)ccc2O1 ZINC000071170140 176050874 /nfs/dbraw/zinc/05/08/74/176050874.db2.gz NHADVNHXCBYLIR-UHFFFAOYSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366545139 287395286 /nfs/dbraw/zinc/39/52/86/287395286.db2.gz OELFAINCSWABOS-BZUAXINKSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CCCC[C@H]2C[NH3+])([NH+](C)C)C1 ZINC000251698726 287501398 /nfs/dbraw/zinc/50/13/98/287501398.db2.gz HOLGCTLYJRPIIG-QZWWFDLISA-N 2 0 281.488 2.604 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193129515 228102553 /nfs/dbraw/zinc/10/25/53/228102553.db2.gz UWNUYLZUJDMKRT-HOCLYGCPSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400906074 420502979 /nfs/dbraw/zinc/50/29/79/420502979.db2.gz BBTPGEGTMAOJHZ-PMOUVXMZSA-N 2 0 278.465 2.965 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400977354 420503729 /nfs/dbraw/zinc/50/37/29/420503729.db2.gz SFSZNAYWMZBVTB-GRYCIOLGSA-N 2 0 284.856 2.922 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400981278 420502242 /nfs/dbraw/zinc/50/22/42/420502242.db2.gz UORCJXPODXXKBN-SOUVJXGZSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000400962319 420502635 /nfs/dbraw/zinc/50/26/35/420502635.db2.gz LOYXXPIAWJPNAI-MXASKKJJSA-N 2 0 258.409 2.768 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400906079 420502760 /nfs/dbraw/zinc/50/27/60/420502760.db2.gz BBTPGEGTMAOJHZ-ZGKBOVNRSA-N 2 0 278.465 2.965 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1OCCC(C)C ZINC000414883713 533684525 /nfs/dbraw/zinc/68/45/25/533684525.db2.gz NHPGGBWSASMQOW-AWEZNQCLSA-N 2 0 294.439 2.947 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000179443965 260049100 /nfs/dbraw/zinc/04/91/00/260049100.db2.gz QPBJIEHDFQNPEO-PBHICJAKSA-N 2 0 258.409 2.918 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000187719898 260163802 /nfs/dbraw/zinc/16/38/02/260163802.db2.gz RJBFSVCJIJOKMI-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP COc1cccc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312782902 260201680 /nfs/dbraw/zinc/20/16/80/260201680.db2.gz HXHPORLDXUUULA-CWRNSKLLSA-N 2 0 274.408 2.688 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312893896 260219030 /nfs/dbraw/zinc/21/90/30/260219030.db2.gz XEWIBEFHXFVVPB-RWMBFGLXSA-N 2 0 280.362 2.957 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313296440 260279331 /nfs/dbraw/zinc/27/93/31/260279331.db2.gz LFNLBZCTAPNGFJ-YCPHGPKFSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000051693362 260956492 /nfs/dbraw/zinc/95/64/92/260956492.db2.gz WTEKIFCJHBLTFB-XGNXJENSSA-N 2 0 278.396 2.624 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])c2ccccc12 ZINC000414878338 533685387 /nfs/dbraw/zinc/68/53/87/533685387.db2.gz HDJBPCUXAIJQNV-LBPRGKRZSA-N 2 0 258.365 2.675 20 0 CFADRP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390581860 262222829 /nfs/dbraw/zinc/22/28/29/262222829.db2.gz JEPZWDVKQGJKGH-XYJFISCASA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000390647279 262234251 /nfs/dbraw/zinc/23/42/51/262234251.db2.gz IQMUXSLUBXKQIH-NDBYEHHHSA-N 2 0 260.372 2.740 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2nccs2)c2ccccc21 ZINC000391137829 262383453 /nfs/dbraw/zinc/38/34/53/262383453.db2.gz PVKBGBMMSVVAMD-ZIAGYGMSSA-N 2 0 273.405 2.810 20 0 CFADRP Cc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000391157075 262384277 /nfs/dbraw/zinc/38/42/77/262384277.db2.gz AAMMBIPTQOKQES-UHFFFAOYSA-N 2 0 282.391 2.544 20 0 CFADRP CC(C)CCOCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200240 262447174 /nfs/dbraw/zinc/44/71/74/262447174.db2.gz XWOYYXMMUVNVSP-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000234802956 522669469 /nfs/dbraw/zinc/66/94/69/522669469.db2.gz GWWRUVMQDQBHSY-FZMZJTMJSA-N 2 0 270.804 2.745 20 0 CFADRP [NH3+]CC1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000011889084 265308641 /nfs/dbraw/zinc/30/86/41/265308641.db2.gz FLNFWMIKXOISQT-UHFFFAOYSA-N 2 0 266.816 2.943 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000519138992 265329730 /nfs/dbraw/zinc/32/97/30/265329730.db2.gz OLHKDGYATJAQAZ-FZKCQIBNSA-N 2 0 290.455 2.553 20 0 CFADRP CCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000225381899 270256111 /nfs/dbraw/zinc/25/61/11/270256111.db2.gz XBZNOXQSOOGZBU-VXGBXAGGSA-N 2 0 252.427 2.918 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237146313 270265251 /nfs/dbraw/zinc/26/52/51/270265251.db2.gz QYUVLSNQKZDYLU-SUMWQHHRSA-N 2 0 297.402 2.681 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@@H](O)C3(C)C)CC2)C1 ZINC000250098075 270271977 /nfs/dbraw/zinc/27/19/77/270271977.db2.gz QZEZQOAQBNGTDM-XLNGHYISSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@@H](O)C3(C)C)CC2)C1 ZINC000250098068 270272283 /nfs/dbraw/zinc/27/22/83/270272283.db2.gz QZEZQOAQBNGTDM-BSWAZPDLSA-N 2 0 294.483 2.779 20 0 CFADRP c1ccc(CCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000257676891 270274049 /nfs/dbraw/zinc/27/40/49/270274049.db2.gz JXXBFVKBNZBKHL-UHFFFAOYSA-N 2 0 258.409 2.695 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258950498 270274608 /nfs/dbraw/zinc/27/46/08/270274608.db2.gz KLMCGBPIKZHZOV-JKSUJKDBSA-N 2 0 260.425 2.996 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2COC(C)(C)C2)CN1Cc1ccccc1 ZINC000396609082 270314969 /nfs/dbraw/zinc/31/49/69/270314969.db2.gz SPPCLKXQGOQDQF-PVAVHDDUSA-N 2 0 288.435 2.807 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000397060663 270315771 /nfs/dbraw/zinc/31/57/71/270315771.db2.gz WYCLHOKKLANLFW-BRWVUGGUSA-N 2 0 273.424 2.709 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397250986 270316799 /nfs/dbraw/zinc/31/67/99/270316799.db2.gz COLVWWINMYSGIZ-GUTXKFCHSA-N 2 0 292.423 2.509 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397250992 270316901 /nfs/dbraw/zinc/31/69/01/270316901.db2.gz COLVWWINMYSGIZ-YDHLFZDLSA-N 2 0 292.423 2.509 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397404363 270318288 /nfs/dbraw/zinc/31/82/88/270318288.db2.gz LDTDHBQBMVNIQJ-YCPHGPKFSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]1C[NH3+] ZINC000397459673 270318661 /nfs/dbraw/zinc/31/86/61/270318661.db2.gz QEGDRISJHJJNRF-INMHGKMJSA-N 2 0 298.434 2.678 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398087257 270321436 /nfs/dbraw/zinc/32/14/36/270321436.db2.gz IGWXPVPJZPVRIA-JFIYKMOQSA-N 2 0 289.467 2.757 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)sc1Br ZINC000398353553 270321979 /nfs/dbraw/zinc/32/19/79/270321979.db2.gz KHZIMISPNYKSIB-SECBINFHSA-N 2 0 289.242 2.518 20 0 CFADRP COc1ccccc1[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccccn1 ZINC000423012123 270332683 /nfs/dbraw/zinc/33/26/83/270332683.db2.gz JZFZGGOGQHAICL-KDOFPFPSSA-N 2 0 299.418 2.897 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424376895 270333204 /nfs/dbraw/zinc/33/32/04/270333204.db2.gz QKALTDDKPVMOLO-TUVASFSCSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000514776428 270353225 /nfs/dbraw/zinc/35/32/25/270353225.db2.gz QTVQDUQZOLVCIO-HALDLXJZSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000515346009 270368420 /nfs/dbraw/zinc/36/84/20/270368420.db2.gz HRGAXSYMYFEBJC-KGLIPLIRSA-N 2 0 264.413 2.937 20 0 CFADRP CC(C)C(C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000515375660 270370621 /nfs/dbraw/zinc/37/06/21/270370621.db2.gz FIXGTGJVWOTJPJ-UHFFFAOYSA-N 2 0 283.504 2.530 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000516769080 270388023 /nfs/dbraw/zinc/38/80/23/270388023.db2.gz PARVYQCSTIXFND-HUUCEWRRSA-N 2 0 288.370 2.946 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000516914475 270391149 /nfs/dbraw/zinc/39/11/49/270391149.db2.gz XBIBBEPNRGIWCI-RRFJBIMHSA-N 2 0 274.408 2.530 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1C ZINC000521645395 270433666 /nfs/dbraw/zinc/43/36/66/270433666.db2.gz GZXZYPSWXXYIRV-HOTGVXAUSA-N 2 0 275.440 2.681 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)COC ZINC000527361315 270501899 /nfs/dbraw/zinc/50/18/99/270501899.db2.gz QGQLRCFUUVOBSJ-PMPSAXMXSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414858357 533687986 /nfs/dbraw/zinc/68/79/86/533687986.db2.gz ROLWUBJNXJWUKH-AAEUAGOBSA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527854100 270543963 /nfs/dbraw/zinc/54/39/63/270543963.db2.gz WDFTUTBJYQTCKI-DZGCQCFKSA-N 2 0 250.430 2.885 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527857506 270544468 /nfs/dbraw/zinc/54/44/68/270544468.db2.gz CDWOUXDOBLRROA-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP CCOC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC000530544574 270799503 /nfs/dbraw/zinc/79/95/03/270799503.db2.gz KAIZHAQZXQWGSR-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423277280 273963565 /nfs/dbraw/zinc/96/35/65/273963565.db2.gz PPVKOJMDKLYVPV-MLGOLLRUSA-N 2 0 262.397 2.518 20 0 CFADRP COCCC[N@@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000364298102 274021236 /nfs/dbraw/zinc/02/12/36/274021236.db2.gz DCRFYWVNRHVIIU-UHFFFAOYSA-N 2 0 299.418 2.783 20 0 CFADRP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375446884 274048022 /nfs/dbraw/zinc/04/80/22/274048022.db2.gz XYQFEURZNVWCLB-USXIJHARSA-N 2 0 276.424 2.694 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000414919104 274125625 /nfs/dbraw/zinc/12/56/25/274125625.db2.gz WAKGVRNVWJLZNX-FUHWJXTLSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH3+])CCCCC1)CC2 ZINC000414843458 274127033 /nfs/dbraw/zinc/12/70/33/274127033.db2.gz ODYUHLNNBSFGEZ-MRXNPFEDSA-N 2 0 288.435 2.804 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCS2 ZINC000423204204 274132635 /nfs/dbraw/zinc/13/26/35/274132635.db2.gz DDUFJFAMZRBHGH-DOMZBBRYSA-N 2 0 292.448 2.821 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423537622 274137886 /nfs/dbraw/zinc/13/78/86/274137886.db2.gz DJDLXIMZYWAHGM-OIPACUDHSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423203042 274210263 /nfs/dbraw/zinc/21/02/63/274210263.db2.gz BTXNUTJWCWTVJE-QWHCGFSZSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422751448 274263317 /nfs/dbraw/zinc/26/33/17/274263317.db2.gz FYWNJDWEZDNNMM-COXVUDFISA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422834568 274305349 /nfs/dbraw/zinc/30/53/49/274305349.db2.gz HWAMTNDYPRZINH-COXVUDFISA-N 2 0 290.476 2.995 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000361353928 274335880 /nfs/dbraw/zinc/33/58/80/274335880.db2.gz VLLLFZPGHBUGSS-UKPHBRMFSA-N 2 0 258.409 2.646 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423413032 274339417 /nfs/dbraw/zinc/33/94/17/274339417.db2.gz JHXJKNRVHQJLNW-GLJUWKHASA-N 2 0 287.451 2.863 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358055552 274339912 /nfs/dbraw/zinc/33/99/12/274339912.db2.gz BVLJMLGWPQCVAI-LBTNJELSSA-N 2 0 272.436 2.720 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000130731881 274392510 /nfs/dbraw/zinc/39/25/10/274392510.db2.gz WMQYYGGFJVSCQU-ILXRZTDVSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423123911 274475373 /nfs/dbraw/zinc/47/53/73/274475373.db2.gz FNGIMMRHHAROSF-ZWNOBZJWSA-N 2 0 284.350 2.896 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000423014971 274521878 /nfs/dbraw/zinc/52/18/78/274521878.db2.gz JREMBDFZXCRTEM-DDUYRFODSA-N 2 0 294.826 2.758 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2C[NH2+]C2)c2cccc(Br)c21 ZINC000335553038 274623887 /nfs/dbraw/zinc/62/38/87/274623887.db2.gz SJQHINCSCZAKIZ-ZANVPECISA-N 2 0 295.224 2.806 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC3 ZINC000334838286 274765905 /nfs/dbraw/zinc/76/59/05/274765905.db2.gz SRZISNMIYHSOGW-CABCVRRESA-N 2 0 297.446 2.923 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000131242957 287788274 /nfs/dbraw/zinc/78/82/74/287788274.db2.gz PKGBSQBJZFLSRO-HIFRSBDPSA-N 2 0 259.397 2.829 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420415246 274881825 /nfs/dbraw/zinc/88/18/25/274881825.db2.gz UXTOYGMOURUROV-MAZHCROVSA-N 2 0 294.826 2.759 20 0 CFADRP [NH3+]CC1(O)CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000335624363 274944817 /nfs/dbraw/zinc/94/48/17/274944817.db2.gz CMALPZIHLLXTAH-UHFFFAOYSA-N 2 0 294.398 2.542 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000335018332 274944859 /nfs/dbraw/zinc/94/48/59/274944859.db2.gz FPGACTRZCWUDRJ-ABIUDSBCSA-N 2 0 278.371 2.756 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccccc21 ZINC000268964056 275048666 /nfs/dbraw/zinc/04/86/66/275048666.db2.gz YDZZDFGSCHZLBF-WMZOPIPTSA-N 2 0 288.435 2.500 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423547959 275061263 /nfs/dbraw/zinc/06/12/63/275061263.db2.gz QQVHRVPUEIDAMG-ATNYBXOESA-N 2 0 286.419 2.747 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000414971072 275069884 /nfs/dbraw/zinc/06/98/84/275069884.db2.gz VTWBHVAWWPXRGD-DLBZAZTESA-N 2 0 258.409 2.666 20 0 CFADRP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353288251 275395798 /nfs/dbraw/zinc/39/57/98/275395798.db2.gz HCGNHSCXSRWUOW-AHCXZYCDSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](Cn2cccn2)C(C)C)CC1 ZINC000340474270 275570892 /nfs/dbraw/zinc/57/08/92/275570892.db2.gz MPEAAFHTNNKHBG-QGZVFWFLSA-N 2 0 292.471 2.618 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422923274 275690914 /nfs/dbraw/zinc/69/09/14/275690914.db2.gz VTEYSCJHHLGKDQ-ILXRZTDVSA-N 2 0 256.434 2.545 20 0 CFADRP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001932 275735891 /nfs/dbraw/zinc/73/58/91/275735891.db2.gz CUESOCFALHNIHP-YYIAUSFCSA-N 2 0 262.441 2.933 20 0 CFADRP CC1(C)C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423239899 275867680 /nfs/dbraw/zinc/86/76/80/275867680.db2.gz BURHAGYZEBOOHX-CJNGLKHVSA-N 2 0 258.409 2.998 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000134174148 275910163 /nfs/dbraw/zinc/91/01/63/275910163.db2.gz ZVSYRWRBQDRUPW-KURKYZTESA-N 2 0 294.483 2.661 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1cccnc1 ZINC000361922402 276018438 /nfs/dbraw/zinc/01/84/38/276018438.db2.gz IPYNXXDUIZQWRS-XIRDDKMYSA-N 2 0 275.440 2.751 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414934569 276042527 /nfs/dbraw/zinc/04/25/27/276042527.db2.gz FGLUMRXWCNXGIP-OIISXLGYSA-N 2 0 260.425 2.985 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450347979 276045835 /nfs/dbraw/zinc/04/58/35/276045835.db2.gz JMWWVTIJTFFSHR-SJORKVTESA-N 2 0 282.472 2.735 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422697831 276110233 /nfs/dbraw/zinc/11/02/33/276110233.db2.gz WJIPTXXQUNGFOZ-QAPCUYQASA-N 2 0 289.467 2.759 20 0 CFADRP CC1(C)C[C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000335056165 276148412 /nfs/dbraw/zinc/14/84/12/276148412.db2.gz CJBFIECOCWJEBC-INIZCTEOSA-N 2 0 256.393 2.918 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@H]2CCCO[C@H]21 ZINC000423371020 276163424 /nfs/dbraw/zinc/16/34/24/276163424.db2.gz AELRTFMZOASDIP-KBUPBQIOSA-N 2 0 280.456 2.558 20 0 CFADRP CC[N@@H+]1CCCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000357340249 276165145 /nfs/dbraw/zinc/16/51/45/276165145.db2.gz UCRAUNLLTWEFMF-UHFFFAOYSA-N 2 0 253.777 2.575 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000362201157 276225167 /nfs/dbraw/zinc/22/51/67/276225167.db2.gz OBZAEBUYNXBUMS-OIISXLGYSA-N 2 0 288.435 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H](C)C1 ZINC000348678799 276227859 /nfs/dbraw/zinc/22/78/59/276227859.db2.gz HKVNZOVDFPYRJA-YYJSSNLHSA-N 2 0 264.335 2.647 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](CO)c3ccccc32)[C@@H](C)C1 ZINC000364951227 276231199 /nfs/dbraw/zinc/23/11/99/276231199.db2.gz FEWXHNOPVLZUAO-DFEHZGFQSA-N 2 0 288.435 2.527 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000195117073 276252929 /nfs/dbraw/zinc/25/29/29/276252929.db2.gz LKCCLXNJNYIMAW-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1N(C)C ZINC000349342078 276253098 /nfs/dbraw/zinc/25/30/98/276253098.db2.gz DBTNXUSOZKWYAG-UHFFFAOYSA-N 2 0 277.456 2.916 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000420294563 276254486 /nfs/dbraw/zinc/25/44/86/276254486.db2.gz BFIFYPKRSAWDKB-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423107280 276262338 /nfs/dbraw/zinc/26/23/38/276262338.db2.gz KNBIPESZALFYND-IAOVAPTHSA-N 2 0 273.424 2.595 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000354669110 276333753 /nfs/dbraw/zinc/33/37/53/276333753.db2.gz KAGAGPRWLNSBGW-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449174569 276358520 /nfs/dbraw/zinc/35/85/20/276358520.db2.gz ZCLNQBWNROBURC-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000447556318 276358815 /nfs/dbraw/zinc/35/88/15/276358815.db2.gz FSCLVCBDSQQUCO-USXIJHARSA-N 2 0 276.424 2.694 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449130891 276384821 /nfs/dbraw/zinc/38/48/21/276384821.db2.gz IPIJUQVTYXVRDO-BRSBDYLESA-N 2 0 295.515 2.674 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H]([NH3+])CC(C)C)C1 ZINC000414715568 276399311 /nfs/dbraw/zinc/39/93/11/276399311.db2.gz YUJZMKFOHUIIBW-HZSPNIEDSA-N 2 0 258.475 2.966 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421378759 276464300 /nfs/dbraw/zinc/46/43/00/276464300.db2.gz WCGSCTMNHLXVME-LMPOIIKSSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401009910 276553765 /nfs/dbraw/zinc/55/37/65/276553765.db2.gz GLOIQEFTMZSXAT-DGADGQDISA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422721849 276569299 /nfs/dbraw/zinc/56/92/99/276569299.db2.gz WEWUWKXFTNFUDC-HDEZJCGLSA-N 2 0 276.424 2.522 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421840450 276782249 /nfs/dbraw/zinc/78/22/49/276782249.db2.gz ZEHSRFRDXZHIGG-IXDOHACOSA-N 2 0 287.451 2.791 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414813497 276811092 /nfs/dbraw/zinc/81/10/92/276811092.db2.gz QXCXVYYYYJUMKT-KZNAEPCWSA-N 2 0 293.499 2.809 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCSC1 ZINC000366745487 276813775 /nfs/dbraw/zinc/81/37/75/276813775.db2.gz NBGCYCHLJVIJMF-CYBMUJFWSA-N 2 0 268.470 2.736 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCCS1 ZINC000250878333 276814717 /nfs/dbraw/zinc/81/47/17/276814717.db2.gz URLHEDHPYTVXJX-CBBWQLFWSA-N 2 0 268.470 2.782 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000422927278 276853899 /nfs/dbraw/zinc/85/38/99/276853899.db2.gz YOPDWZSHVIBXPI-RZFLPCETSA-N 2 0 292.467 2.702 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000125321316 277026161 /nfs/dbraw/zinc/02/61/61/277026161.db2.gz ZRJCSKDPSQJQSY-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000334275494 277031703 /nfs/dbraw/zinc/03/17/03/277031703.db2.gz BXSYOOZZIMSINJ-ROUUACIJSA-N 2 0 287.451 2.506 20 0 CFADRP COC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159027779 277056616 /nfs/dbraw/zinc/05/66/16/277056616.db2.gz PTPVIHYSMNVJQF-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000459794878 277073346 /nfs/dbraw/zinc/07/33/46/277073346.db2.gz UUUIZSHNEXEGCI-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423480831 277083320 /nfs/dbraw/zinc/08/33/20/277083320.db2.gz WCRVMBAQJJCMFO-NOLJZWGESA-N 2 0 289.423 2.813 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000423221910 277083328 /nfs/dbraw/zinc/08/33/28/277083328.db2.gz YRDGLTVKEJYKMU-XEZPLFJOSA-N 2 0 289.423 2.684 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423480421 277083354 /nfs/dbraw/zinc/08/33/54/277083354.db2.gz WCRVMBAQJJCMFO-BJJXKVORSA-N 2 0 289.423 2.813 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423346734 277083445 /nfs/dbraw/zinc/08/34/45/277083445.db2.gz QBBTWSQTCZPCBO-GUYCJALGSA-N 2 0 289.423 2.685 20 0 CFADRP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423093007 277143140 /nfs/dbraw/zinc/14/31/40/277143140.db2.gz FEUDMAWTXKTLOB-UHOFOFEASA-N 2 0 276.424 2.908 20 0 CFADRP COC1(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCCC1 ZINC000359962125 277187589 /nfs/dbraw/zinc/18/75/89/277187589.db2.gz BOZNQNPMXZQORD-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414715050 277217272 /nfs/dbraw/zinc/21/72/72/277217272.db2.gz XBWNZWKWMGUPEL-AEFFLSMTSA-N 2 0 290.451 2.566 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422701429 277259958 /nfs/dbraw/zinc/25/99/58/277259958.db2.gz INBNWPQBQPFXBX-HNNXBMFYSA-N 2 0 296.842 2.715 20 0 CFADRP COC[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000158676943 277262124 /nfs/dbraw/zinc/26/21/24/277262124.db2.gz QOYWLKGGJQJRIM-OAGGEKHMSA-N 2 0 270.461 2.615 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000063159040 277265118 /nfs/dbraw/zinc/26/51/18/277265118.db2.gz GFLFDPVMMFOEJK-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422963224 277304474 /nfs/dbraw/zinc/30/44/74/277304474.db2.gz FIDPOSBBMMKBCC-BBWFWOEESA-N 2 0 290.451 2.506 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422746325 277332300 /nfs/dbraw/zinc/33/23/00/277332300.db2.gz ZHHFUMTUFFDNLC-BZUAXINKSA-N 2 0 262.397 2.624 20 0 CFADRP CO[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294261939 277336430 /nfs/dbraw/zinc/33/64/30/277336430.db2.gz QYMQFRKRIVLMFI-SJORKVTESA-N 2 0 289.423 2.598 20 0 CFADRP CC(C)C1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000441356230 277341314 /nfs/dbraw/zinc/34/13/14/277341314.db2.gz LPDVJSYXTODTSF-UHFFFAOYSA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000424305416 277351435 /nfs/dbraw/zinc/35/14/35/277351435.db2.gz SCCQNUXTKWSZGL-MDBPOYHNSA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000361924114 277353953 /nfs/dbraw/zinc/35/39/53/277353953.db2.gz GCZPWEBGUWZLEE-FUHWJXTLSA-N 3 0 295.515 2.674 20 0 CFADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423099882 277358042 /nfs/dbraw/zinc/35/80/42/277358042.db2.gz UNLKFVKNNYZFTG-FVQBIDKESA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422818971 277386246 /nfs/dbraw/zinc/38/62/46/277386246.db2.gz LVRVVIQQCMWKTP-QZTJIDSGSA-N 2 0 287.451 2.841 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000423111718 277391838 /nfs/dbraw/zinc/39/18/38/277391838.db2.gz JCWCNSOXFPUJEX-TZDAIYRESA-N 2 0 292.398 2.929 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340308094 277392408 /nfs/dbraw/zinc/39/24/08/277392408.db2.gz WSQXUUVQRYGKBO-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293788425 277430393 /nfs/dbraw/zinc/43/03/93/277430393.db2.gz UHUDLFMWWOOBPU-MJSCVDMRSA-N 2 0 290.451 2.975 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423492898 277451206 /nfs/dbraw/zinc/45/12/06/277451206.db2.gz OXTAOTNYRQXOOP-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423505493 277508992 /nfs/dbraw/zinc/50/89/92/277508992.db2.gz LRWDMUPOMFIKNT-HHTDUIENSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000449558744 277586893 /nfs/dbraw/zinc/58/68/93/277586893.db2.gz ZRJYGLQSVJPPBV-HLLBOEOZSA-N 2 0 281.488 2.569 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423394003 277848549 /nfs/dbraw/zinc/84/85/49/277848549.db2.gz ZEMGXYPNQGZWCQ-WBIUFABUSA-N 2 0 278.371 2.552 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000067452944 277889163 /nfs/dbraw/zinc/88/91/63/277889163.db2.gz GNFMFNHMEHNDNH-HUUCEWRRSA-N 2 0 294.414 2.805 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCC[NH3+] ZINC000423331423 277943371 /nfs/dbraw/zinc/94/33/71/277943371.db2.gz QJAKKDFSXWRBLC-OAHLLOKOSA-N 2 0 262.397 2.746 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000192454656 277943653 /nfs/dbraw/zinc/94/36/53/277943653.db2.gz BXHNQSQRAZHEKK-CRAIPNDOSA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(C)c2c1 ZINC000423298544 278005430 /nfs/dbraw/zinc/00/54/30/278005430.db2.gz OMTROWXASDYLSY-JQWIXIFHSA-N 2 0 276.380 2.995 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H](C)O1 ZINC000414260583 278012862 /nfs/dbraw/zinc/01/28/62/278012862.db2.gz GIDXOEVUNHNOEV-MGPQQGTHSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C3CCCCC3)C2)CC[N@@H+]1C ZINC000372060782 278029858 /nfs/dbraw/zinc/02/98/58/278029858.db2.gz LZHNARGJXZCPOM-ZACQAIPSSA-N 2 0 293.499 2.856 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423254306 278049967 /nfs/dbraw/zinc/04/99/67/278049967.db2.gz ZVORWHSEOIIFKZ-KURKYZTESA-N 2 0 289.467 2.917 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000353226615 278126153 /nfs/dbraw/zinc/12/61/53/278126153.db2.gz ZEUWPYVZLISZJO-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP CSCc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423104970 278140434 /nfs/dbraw/zinc/14/04/34/278140434.db2.gz HVCWTXZMWXSXCB-NWDGAFQWSA-N 2 0 252.427 2.765 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC12CCSCC2 ZINC000423541821 278169032 /nfs/dbraw/zinc/16/90/32/278169032.db2.gz FTACNTUPZNMOSD-CHWSQXEVSA-N 2 0 256.459 2.627 20 0 CFADRP CC1(C)CC(NC2CC[NH+](C3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000312944712 278191014 /nfs/dbraw/zinc/19/10/14/278191014.db2.gz QIBVTUWGVTUQKL-UHFFFAOYSA-N 2 0 279.472 2.512 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423069186 278215820 /nfs/dbraw/zinc/21/58/20/278215820.db2.gz ANDNQPRNXSDQHC-IRXDYDNUSA-N 2 0 287.451 2.843 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423423328 278226817 /nfs/dbraw/zinc/22/68/17/278226817.db2.gz CAGINOVRMZEORK-MJVIPROJSA-N 2 0 277.412 2.586 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000049554284 278229220 /nfs/dbraw/zinc/22/92/20/278229220.db2.gz SAVNAVLAAYLVHI-STQMWFEESA-N 2 0 262.397 2.612 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423306066 278245714 /nfs/dbraw/zinc/24/57/14/278245714.db2.gz LDDXDTLSSGDPTL-GXFFZTMASA-N 2 0 268.788 2.738 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000158692792 278258410 /nfs/dbraw/zinc/25/84/10/278258410.db2.gz AEMLOWCPJZAORI-JYJNAYRXSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)[C@@H]1CCCC[NH2+]1 ZINC000423560614 278260720 /nfs/dbraw/zinc/26/07/20/278260720.db2.gz VFWFKMMGYHCBBT-IHRRRGAJSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000423295331 278318994 /nfs/dbraw/zinc/31/89/94/278318994.db2.gz WPOXGBVWYBYJPG-MLGOLLRUSA-N 2 0 284.407 2.607 20 0 CFADRP CC(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335425356 278327374 /nfs/dbraw/zinc/32/73/74/278327374.db2.gz KCQITQUOJNXMPF-PBHICJAKSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCSCC1 ZINC000035120910 278331996 /nfs/dbraw/zinc/33/19/96/278331996.db2.gz NBJSYUPUMOCZHF-ZDUSSCGKSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000252137533 278332041 /nfs/dbraw/zinc/33/20/41/278332041.db2.gz LSLNRORWFIPUCP-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000261874413 278334597 /nfs/dbraw/zinc/33/45/97/278334597.db2.gz VPNPQFYPVYCSHU-VXGBXAGGSA-N 2 0 278.362 2.896 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCOC1 ZINC000356860369 278335368 /nfs/dbraw/zinc/33/53/68/278335368.db2.gz YVSBYIZQKMIPAG-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1COc2ccccc21 ZINC000185604045 278344578 /nfs/dbraw/zinc/34/45/78/278344578.db2.gz DUQPKDZYPOVSQT-GDBMZVCRSA-N 2 0 274.408 2.627 20 0 CFADRP C[C@@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422886380 278345663 /nfs/dbraw/zinc/34/56/63/278345663.db2.gz WPEPPCVXMOGVRI-RBSFLKMASA-N 2 0 290.455 2.513 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000187887610 278352342 /nfs/dbraw/zinc/35/23/42/278352342.db2.gz LDPHHHRJJALKSA-DKIMLUQUSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCOC1 ZINC000157943067 288039302 /nfs/dbraw/zinc/03/93/02/288039302.db2.gz RGZUBUGLONPNIZ-ULQDDVLXSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000414944004 278514993 /nfs/dbraw/zinc/51/49/93/278514993.db2.gz GCMFEWMSDMRXBN-ATLSCFEFSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000414906640 278515161 /nfs/dbraw/zinc/51/51/61/278515161.db2.gz AETNKHCBWTYWHZ-LMSBXDPUSA-N 2 0 293.499 2.617 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121040170 278540333 /nfs/dbraw/zinc/54/03/33/278540333.db2.gz NRMOPMWSYMBXPX-BBWFWOEESA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423188941 278609722 /nfs/dbraw/zinc/60/97/22/278609722.db2.gz ZWIQULKKKSZFGO-QAPCUYQASA-N 2 0 287.451 2.510 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422977377 278662599 /nfs/dbraw/zinc/66/25/99/278662599.db2.gz JYHYSROYPCEMMA-ARFHVFGLSA-N 2 0 282.472 2.828 20 0 CFADRP CC(C)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732556 278769328 /nfs/dbraw/zinc/76/93/28/278769328.db2.gz PBLLDUDZWJYFPX-DOTOQJQBSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000359951195 288076075 /nfs/dbraw/zinc/07/60/75/288076075.db2.gz YOCZDYAKXPKVLJ-ZACQAIPSSA-N 3 0 281.488 2.571 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826119 278936056 /nfs/dbraw/zinc/93/60/56/278936056.db2.gz IOBYHNWAGFNVJV-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152415025 279022053 /nfs/dbraw/zinc/02/20/53/279022053.db2.gz XOJFXTBFMPHNJD-QWQRMKEZSA-N 2 0 270.420 2.994 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474716855 279026765 /nfs/dbraw/zinc/02/67/65/279026765.db2.gz ZWRMQNBDWVZXQZ-OKZBNKHCSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422736811 279040850 /nfs/dbraw/zinc/04/08/50/279040850.db2.gz GVKHAIBWXLWYDF-ROUUACIJSA-N 2 0 289.467 2.888 20 0 CFADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348243948 279078039 /nfs/dbraw/zinc/07/80/39/279078039.db2.gz MGMPJIAKKJSPRV-WOPDTQHZSA-N 2 0 264.335 2.743 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000422736116 279079478 /nfs/dbraw/zinc/07/94/78/279079478.db2.gz XGHOICYVVPOPBO-GBIKHYSHSA-N 2 0 267.442 2.799 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000352716861 279092309 /nfs/dbraw/zinc/09/23/09/279092309.db2.gz HWTWLJSWBPNNIM-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H](O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182760391 288103666 /nfs/dbraw/zinc/10/36/66/288103666.db2.gz HOMPYVHGKWWIBC-INIZCTEOSA-N 2 0 270.461 2.591 20 0 CFADRP CC[NH+](CC)CCCN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429371284 279095188 /nfs/dbraw/zinc/09/51/88/279095188.db2.gz YIFYWWQNLZEVCQ-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085670536 279100230 /nfs/dbraw/zinc/10/02/30/279100230.db2.gz WZJIBXFIFZRZPP-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424263234 279100851 /nfs/dbraw/zinc/10/08/51/279100851.db2.gz RJKJNVPBPNYFNM-PLAPLOCASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1SC ZINC000425353916 279101697 /nfs/dbraw/zinc/10/16/97/279101697.db2.gz NMWZISGMSQGXFD-MJBXVCDLSA-N 2 0 258.475 2.981 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000447590317 279109058 /nfs/dbraw/zinc/10/90/58/279109058.db2.gz BTBNUKKZWZEURY-AWEZNQCLSA-N 2 0 282.428 2.905 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000070463874 279137352 /nfs/dbraw/zinc/13/73/52/279137352.db2.gz LNMWHBOIOADSBX-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000414919308 279163236 /nfs/dbraw/zinc/16/32/36/279163236.db2.gz WQWQTYJAHLYXTH-DLBZAZTESA-N 2 0 258.409 2.523 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000422926178 279255532 /nfs/dbraw/zinc/25/55/32/279255532.db2.gz CPYRMQQMBGSVCC-MFKMUULPSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000422947022 279256293 /nfs/dbraw/zinc/25/62/93/279256293.db2.gz PNDUNMLWORAKMW-ZWNOBZJWSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000158924670 279275381 /nfs/dbraw/zinc/27/53/81/279275381.db2.gz GSKBGRQNSJLTCH-OAHLLOKOSA-N 2 0 290.455 2.658 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1nccs1 ZINC000353691837 279349729 /nfs/dbraw/zinc/34/97/29/279349729.db2.gz UTXCRLIMZDUCKP-AAVRWANBSA-N 2 0 279.453 2.709 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423117424 279367958 /nfs/dbraw/zinc/36/79/58/279367958.db2.gz VKKGYVWGXBZNEE-IJEWVQPXSA-N 2 0 290.455 2.698 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422907780 279368884 /nfs/dbraw/zinc/36/88/84/279368884.db2.gz XNGULXDIVZUAMM-GUYJKWIASA-N 2 0 260.381 2.678 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422812840 279370125 /nfs/dbraw/zinc/37/01/25/279370125.db2.gz XBQCHDLOTSGKAH-QWHCGFSZSA-N 2 0 286.423 2.516 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000414843797 279439562 /nfs/dbraw/zinc/43/95/62/279439562.db2.gz CWRAQDFUNFAMFS-UTUOFQBUSA-N 2 0 264.335 2.697 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422819891 279650439 /nfs/dbraw/zinc/65/04/39/279650439.db2.gz JGCNRDVRESMBGR-CRAIPNDOSA-N 2 0 293.499 2.891 20 0 CFADRP CC(C)OCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093514058 279666382 /nfs/dbraw/zinc/66/63/82/279666382.db2.gz COWNZVPQXZYYJX-HUUCEWRRSA-N 2 0 256.434 2.702 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422993881 279667301 /nfs/dbraw/zinc/66/73/01/279667301.db2.gz UEUKDUBIZDAHIL-PNKHAZJDSA-N 2 0 270.420 2.822 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000423046782 279698423 /nfs/dbraw/zinc/69/84/23/279698423.db2.gz FSWDPCAFTKCJHD-PFSRBDOWSA-N 2 0 268.445 2.686 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000361027788 279698570 /nfs/dbraw/zinc/69/85/70/279698570.db2.gz ZRXZMDRPBGSBLE-LSDHHAIUSA-N 2 0 282.472 2.900 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCCC2 ZINC000085681067 279865549 /nfs/dbraw/zinc/86/55/49/279865549.db2.gz JJHKSQUXLYHCPB-PFSRBDOWSA-N 2 0 266.429 2.584 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423264812 279868756 /nfs/dbraw/zinc/86/87/56/279868756.db2.gz ZEDLIEWVSVYFCH-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000346562565 279899069 /nfs/dbraw/zinc/89/90/69/279899069.db2.gz QDJCFXMPFXOLKV-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000422822415 279900027 /nfs/dbraw/zinc/90/00/27/279900027.db2.gz JYFWLVMPPRBYNY-ARFHVFGLSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)CC[NH2+]1 ZINC000335485280 280008875 /nfs/dbraw/zinc/00/88/75/280008875.db2.gz ZCBFFCMBWFGLCD-SUMWQHHRSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335502746 280024730 /nfs/dbraw/zinc/02/47/30/280024730.db2.gz YIUMGAIILXYKPA-CECJLMQQSA-N 2 0 262.372 2.919 20 0 CFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367615192 280035959 /nfs/dbraw/zinc/03/59/59/280035959.db2.gz KIYOHRMFOLSSOG-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313578 280042762 /nfs/dbraw/zinc/04/27/62/280042762.db2.gz YCBWRFILZNEXFJ-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]1c2ccccc2CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420298855 280126045 /nfs/dbraw/zinc/12/60/45/280126045.db2.gz ICTCFANQHPIDLX-GJZGRUSLSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO[C@H]1C1CC1 ZINC000423054570 280158928 /nfs/dbraw/zinc/15/89/28/280158928.db2.gz UZDLUYPAULEZDI-ZJPYXAASSA-N 2 0 286.419 2.926 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000359621850 280187011 /nfs/dbraw/zinc/18/70/11/280187011.db2.gz QUTCPNNBKXFALL-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423096263 280190423 /nfs/dbraw/zinc/19/04/23/280190423.db2.gz OLFUXFZPABTJGK-KURKYZTESA-N 2 0 293.499 2.904 20 0 CFADRP CC(C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968321 280255356 /nfs/dbraw/zinc/25/53/56/280255356.db2.gz WIGDGBALZJGHAB-IKGGRYGDSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000423118430 289975145 /nfs/dbraw/zinc/97/51/45/289975145.db2.gz AOAKNXWATTXSJQ-UMSGYPCISA-N 2 0 278.362 2.943 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000430715587 280328993 /nfs/dbraw/zinc/32/89/93/280328993.db2.gz SNHHFPFIBLKDTE-FJIDUMEYSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000430709440 280329836 /nfs/dbraw/zinc/32/98/36/280329836.db2.gz NIWAXBXRQKSZJT-BSDSXHPESA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]1CCC[C@H](C[NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414977084 288225572 /nfs/dbraw/zinc/22/55/72/288225572.db2.gz QIVBOFBKQCBIPH-HOTGVXAUSA-N 2 0 282.472 2.809 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](C)COC ZINC000131701424 280722120 /nfs/dbraw/zinc/72/21/20/280722120.db2.gz QASWWMBCXPHBEL-HNNXBMFYSA-N 2 0 278.440 2.901 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000191809326 280905511 /nfs/dbraw/zinc/90/55/11/280905511.db2.gz IBSZKINSVINKRM-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCC1 ZINC000449195897 280931706 /nfs/dbraw/zinc/93/17/06/280931706.db2.gz WVJLKOCLVVXRFX-ULQDDVLXSA-N 2 0 280.456 2.533 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCO[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246889416 281000164 /nfs/dbraw/zinc/00/01/64/281000164.db2.gz FIGYBPYUBRIVRF-LTIDMASMSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000247007905 281002970 /nfs/dbraw/zinc/00/29/70/281002970.db2.gz KEFWFCZYDCKQKA-YCPHGPKFSA-N 2 0 294.414 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000247033151 281003521 /nfs/dbraw/zinc/00/35/21/281003521.db2.gz MIBISIHUECXILT-TVFCKZIOSA-N 3 0 295.515 2.959 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000247149460 281006283 /nfs/dbraw/zinc/00/62/83/281006283.db2.gz RJMUBHZAJSDCBJ-JQHSSLGASA-N 2 0 293.499 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2scnc2C)[C@@H](C)C1 ZINC000247239998 281008255 /nfs/dbraw/zinc/00/82/55/281008255.db2.gz SXLOZUYTUZQDPN-JSGCOSHPSA-N 2 0 281.469 2.656 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1(C)C ZINC000247262648 281008538 /nfs/dbraw/zinc/00/85/38/281008538.db2.gz ZHHBXAQRGJRQFI-JHZZJYKESA-N 2 0 268.445 2.508 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2sc(C)nc2C)[C@@H](C)C1 ZINC000247934375 281017448 /nfs/dbraw/zinc/01/74/48/281017448.db2.gz CIKDFGIKDRABDA-SMDDNHRTSA-N 2 0 281.469 2.622 20 0 CFADRP CCCCOCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000248058951 281017543 /nfs/dbraw/zinc/01/75/43/281017543.db2.gz XWORJUMJNCWHAW-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000248853131 281037559 /nfs/dbraw/zinc/03/75/59/281037559.db2.gz KFKWNHJMFDGFGH-KFWWJZLASA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccnn1C ZINC000249032826 281045377 /nfs/dbraw/zinc/04/53/77/281045377.db2.gz ROBAEOGUYPHGQN-BZUAXINKSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000249261997 281053216 /nfs/dbraw/zinc/05/32/16/281053216.db2.gz HDNWSTTWDPQPPE-MSOLQXFVSA-N 2 0 295.515 2.771 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249580934 281063374 /nfs/dbraw/zinc/06/33/74/281063374.db2.gz NIDNKJICFUZTID-ZIAGYGMSSA-N 2 0 262.397 2.775 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000249765706 281066665 /nfs/dbraw/zinc/06/66/65/281066665.db2.gz OSYXQGQCHFZCBH-XDNAFOTISA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000251401222 281072001 /nfs/dbraw/zinc/07/20/01/281072001.db2.gz LYSPPOHMYZKDIO-BRSBDYLESA-N 2 0 295.515 2.863 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268796430 281117172 /nfs/dbraw/zinc/11/71/72/281117172.db2.gz ILSGXSVOMRUQCE-IJEWVQPXSA-N 2 0 276.424 2.934 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423253531 281118243 /nfs/dbraw/zinc/11/82/43/281118243.db2.gz WASMPDMBQXHZBN-RHSMWYFYSA-N 2 0 258.409 2.962 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000269274633 281119494 /nfs/dbraw/zinc/11/94/94/281119494.db2.gz HXLGDHUONJCAGQ-UHFFFAOYSA-N 2 0 296.480 2.592 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H](C[NH+](C)C)C3)c2c1 ZINC000335929890 281169756 /nfs/dbraw/zinc/16/97/56/281169756.db2.gz GRILPNFSSDTZAG-AWEZNQCLSA-N 2 0 269.392 2.931 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])CC(F)(F)F ZINC000397011028 281200056 /nfs/dbraw/zinc/20/00/56/281200056.db2.gz OJMQORKAAYBVPG-DCAQKATOSA-N 2 0 252.324 2.682 20 0 CFADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(OC)c1 ZINC000395773258 281196288 /nfs/dbraw/zinc/19/62/88/281196288.db2.gz RVNCRQGDCYXNIV-UHFFFAOYSA-N 2 0 294.439 2.914 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1COC(C)(C)C1)Cc1ccccc1 ZINC000396853799 281197704 /nfs/dbraw/zinc/19/77/04/281197704.db2.gz OEBFICKOKBORJI-MRXNPFEDSA-N 2 0 276.424 2.666 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396856869 281198201 /nfs/dbraw/zinc/19/82/01/281198201.db2.gz SSEHJDYTVJLZQC-KGLIPLIRSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CS1 ZINC000397815900 281202277 /nfs/dbraw/zinc/20/22/77/281202277.db2.gz CINMAOVDIWZSHH-CAEXGNQWSA-N 2 0 268.470 2.781 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420371114 281219561 /nfs/dbraw/zinc/21/95/61/281219561.db2.gz KHHCLXUMICTSNM-HOTGVXAUSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420371660 281219588 /nfs/dbraw/zinc/21/95/88/281219588.db2.gz KVXIVSMEIIAJEG-SNRMKQJTSA-N 2 0 298.430 2.577 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420371118 281219601 /nfs/dbraw/zinc/21/96/01/281219601.db2.gz KHHCLXUMICTSNM-JKSUJKDBSA-N 2 0 268.445 2.515 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423009778 281223051 /nfs/dbraw/zinc/22/30/51/281223051.db2.gz DVLDOWYSPHOSNU-LSDHHAIUSA-N 2 0 278.440 2.981 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423010717 281223201 /nfs/dbraw/zinc/22/32/01/281223201.db2.gz HGHJBGMVFXSQFU-STQMWFEESA-N 2 0 288.395 2.557 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423009699 281223279 /nfs/dbraw/zinc/22/32/79/281223279.db2.gz DKOWZRKGTJSQLE-IHRRRGAJSA-N 2 0 264.413 2.589 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424374122 281227572 /nfs/dbraw/zinc/22/75/72/281227572.db2.gz YNPUCKHEWMYAOE-DZOHQFGASA-N 2 0 293.499 2.889 20 0 CFADRP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000093944543 281233369 /nfs/dbraw/zinc/23/33/69/281233369.db2.gz IPVZEMVTNVRXKF-BDXSIMOUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435393340 281234846 /nfs/dbraw/zinc/23/48/46/281234846.db2.gz IVHYVHLNTSMFLC-INIZCTEOSA-N 2 0 276.424 2.968 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437754662 281237488 /nfs/dbraw/zinc/23/74/88/281237488.db2.gz BNMUOUHUHXCLIZ-JCYILVPMSA-N 2 0 294.414 2.633 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC2CCCC2)C[C@@H]1C ZINC000459367922 281258687 /nfs/dbraw/zinc/25/86/87/281258687.db2.gz VSTQLNLVHFIDKL-RDJZCZTQSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459387338 281260661 /nfs/dbraw/zinc/26/06/61/281260661.db2.gz COWJJHMVZAJUOL-BZUAXINKSA-N 2 0 293.499 2.569 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459454567 281265484 /nfs/dbraw/zinc/26/54/84/281265484.db2.gz DPIXKOGJKWMFEO-CQSZACIVSA-N 2 0 290.455 2.954 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261391 281270269 /nfs/dbraw/zinc/27/02/69/281270269.db2.gz SCVLBMQJSGKHOH-YOEHRIQHSA-N 2 0 258.409 2.962 20 0 CFADRP Cc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000459600645 281270593 /nfs/dbraw/zinc/27/05/93/281270593.db2.gz UEPMXGJAQIUSSV-UHFFFAOYSA-N 2 0 296.418 2.586 20 0 CFADRP c1cc2cccc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)c2[nH]1 ZINC000514893108 281288608 /nfs/dbraw/zinc/28/86/08/281288608.db2.gz CJYNVZUUYLOQMW-CYBMUJFWSA-N 2 0 266.348 2.538 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cc2)n1 ZINC000515068615 281290720 /nfs/dbraw/zinc/29/07/20/281290720.db2.gz KXRFGGKAMHHKFJ-WMLDXEAASA-N 2 0 298.434 2.801 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000520521185 281309968 /nfs/dbraw/zinc/30/99/68/281309968.db2.gz DYLVTXOFDHUGSK-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000527361181 281330356 /nfs/dbraw/zinc/33/03/56/281330356.db2.gz QNCHBQOFHZUCHW-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527654949 281338148 /nfs/dbraw/zinc/33/81/48/281338148.db2.gz XPHKUZKNXQTOCW-RCBQFDQVSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)C[NH+]1CCCC1 ZINC000529531988 281402411 /nfs/dbraw/zinc/40/24/11/281402411.db2.gz OAOZRTDGPRQINA-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC(F)(F)C1 ZINC000529530109 281402855 /nfs/dbraw/zinc/40/28/55/281402855.db2.gz FIBUMZHIDLWJKK-NSHDSACASA-N 2 0 272.383 2.884 20 0 CFADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000532224844 281445768 /nfs/dbraw/zinc/44/57/68/281445768.db2.gz IRCYHMMWCVTVLQ-GJZGRUSLSA-N 2 0 299.503 2.589 20 0 CFADRP C[C@H](CCO)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000540606551 281588039 /nfs/dbraw/zinc/58/80/39/281588039.db2.gz LKABAMDZTZXAIS-OAHLLOKOSA-N 2 0 294.483 2.639 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(-n3cccn3)c2)CC1 ZINC000540942843 281594447 /nfs/dbraw/zinc/59/44/47/281594447.db2.gz SYCYKCNYFFEYOR-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP FC(F)(F)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554699209 281902237 /nfs/dbraw/zinc/90/22/37/281902237.db2.gz PTDTXEAZPANTQH-UHFFFAOYSA-N 2 0 264.335 2.793 20 0 CFADRP CC(C)C(C[NH2+]CCCC[NH+]1CCN(C)CC1)C(C)C ZINC000556392576 281933593 /nfs/dbraw/zinc/93/35/93/281933593.db2.gz LOBAKBAXNZUWBK-UHFFFAOYSA-N 2 0 283.504 2.532 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C1(C)C ZINC000560291372 282020582 /nfs/dbraw/zinc/02/05/82/282020582.db2.gz LQYYXOKUXRMJCM-KBUPBQIOSA-N 2 0 268.445 2.510 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000421371147 282048648 /nfs/dbraw/zinc/04/86/48/282048648.db2.gz KDOSIVNTFBDCTI-UHFFFAOYSA-N 2 0 273.833 2.759 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000560892056 282043609 /nfs/dbraw/zinc/04/36/09/282043609.db2.gz JHELGFMRZINNQH-HOTGVXAUSA-N 2 0 276.424 2.612 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000331828851 282045142 /nfs/dbraw/zinc/04/51/42/282045142.db2.gz QCUVELDRTMZYSY-OUCADQQQSA-N 2 0 279.453 2.936 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000334223970 282049273 /nfs/dbraw/zinc/04/92/73/282049273.db2.gz HDXBCXDRCBQUTI-SHARSMKWSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCCC1 ZINC000194176701 282075435 /nfs/dbraw/zinc/07/54/35/282075435.db2.gz RSWJCNKYHOYFLK-BZUAXINKSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]2C2CCCCC2)CC[NH2+]1 ZINC000415119192 288699239 /nfs/dbraw/zinc/69/92/39/288699239.db2.gz XDQPRKKWNZKOJV-LUYZLQTOSA-N 2 0 250.430 2.933 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000423040742 289094336 /nfs/dbraw/zinc/09/43/36/289094336.db2.gz VAVRSQNPGOKUFP-IAGOWNOFSA-N 2 0 287.451 2.843 20 0 CFADRP C[NH+](C)CC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000423040743 289095372 /nfs/dbraw/zinc/09/53/72/289095372.db2.gz VAVRSQNPGOKUFP-IRXDYDNUSA-N 2 0 287.451 2.843 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411170272 289106530 /nfs/dbraw/zinc/10/65/30/289106530.db2.gz AZEPMQYGJKPNQE-IRXDYDNUSA-N 2 0 276.399 2.955 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000269038327 289111770 /nfs/dbraw/zinc/11/17/70/289111770.db2.gz SUBBMFSMPAOACN-OAHLLOKOSA-N 2 0 262.397 2.832 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000353251886 289111893 /nfs/dbraw/zinc/11/18/93/289111893.db2.gz RBLYLDCKELCCMP-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1cccs1 ZINC000422753814 289365948 /nfs/dbraw/zinc/36/59/48/289365948.db2.gz GNHJLKHNDMHVMT-HZSPNIEDSA-N 2 0 281.469 2.600 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CCOCC1 ZINC000235476729 289735085 /nfs/dbraw/zinc/73/50/85/289735085.db2.gz CYHQMGWCJTUMST-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000154252161 289889980 /nfs/dbraw/zinc/88/99/80/289889980.db2.gz YWFDQAOWYVRUPR-KRWDZBQOSA-N 2 0 281.488 2.739 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155128801 289911570 /nfs/dbraw/zinc/91/15/70/289911570.db2.gz HPXPHWAUJXSKEL-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000305154012 290008280 /nfs/dbraw/zinc/00/82/80/290008280.db2.gz PNDSPXIHCBGZQF-MUDYYLEHSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000183186066 290017178 /nfs/dbraw/zinc/01/71/78/290017178.db2.gz INLKTFDYJJYCJI-YYIAUSFCSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423023752 290055691 /nfs/dbraw/zinc/05/56/91/290055691.db2.gz KMYPZGUWRPMXMD-AJNGGQMLSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@H]12 ZINC000562646523 290062506 /nfs/dbraw/zinc/06/25/06/290062506.db2.gz ODQKWDWDBDEQCU-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccncc2C)CC1 ZINC000562652552 290062834 /nfs/dbraw/zinc/06/28/34/290062834.db2.gz KKHBABUWNOOUEO-UHFFFAOYSA-N 2 0 261.413 2.602 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(C(=O)OC)cc1 ZINC000562956058 290085207 /nfs/dbraw/zinc/08/52/07/290085207.db2.gz ATUPAAGYPFVSDN-MRXNPFEDSA-N 2 0 292.423 2.902 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000562958827 290085976 /nfs/dbraw/zinc/08/59/76/290085976.db2.gz ZJUZNUHFCVBOAA-JSGCOSHPSA-N 2 0 284.350 2.548 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccncc2C)[C@H](C)C1 ZINC000563061383 290099282 /nfs/dbraw/zinc/09/92/82/290099282.db2.gz HLQDVNXTMGOHAK-WBVHZDCISA-N 2 0 275.440 2.595 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563423136 290148521 /nfs/dbraw/zinc/14/85/21/290148521.db2.gz CVDQSEDVXNKXIP-HZPDHXFCSA-N 2 0 262.397 2.583 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)C1 ZINC000563426676 290149818 /nfs/dbraw/zinc/14/98/18/290149818.db2.gz VTGJMFQWABTGEI-LSDHHAIUSA-N 2 0 257.381 2.570 20 0 CFADRP CC(C)[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000563435835 290151266 /nfs/dbraw/zinc/15/12/66/290151266.db2.gz QVWTXUMQFDISSG-HUUCEWRRSA-N 2 0 261.413 2.680 20 0 CFADRP COCC1(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000563623902 290164547 /nfs/dbraw/zinc/16/45/47/290164547.db2.gz XSMBHKYABXYRMP-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000563734589 290171723 /nfs/dbraw/zinc/17/17/23/290171723.db2.gz WNHMODBZWMUFCW-RYUDHWBXSA-N 2 0 267.442 2.669 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563735333 290172313 /nfs/dbraw/zinc/17/23/13/290172313.db2.gz ZCSMFMHFIIOWBY-ZBFHGGJFSA-N 2 0 289.423 2.785 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563804837 290175244 /nfs/dbraw/zinc/17/52/44/290175244.db2.gz LXBWBQWURTXZRN-RBSFLKMASA-N 2 0 264.413 2.955 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c21 ZINC000563977020 290188374 /nfs/dbraw/zinc/18/83/74/290188374.db2.gz XYFHCVBFTLZDJJ-HUUCEWRRSA-N 2 0 271.408 2.878 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000367602625 290214814 /nfs/dbraw/zinc/21/48/14/290214814.db2.gz VCMMCENFHZXQHY-ULQDDVLXSA-N 2 0 293.499 2.712 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000375896355 290215516 /nfs/dbraw/zinc/21/55/16/290215516.db2.gz WABXRKYZRBILBT-IKGGRYGDSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353626201 290224700 /nfs/dbraw/zinc/22/47/00/290224700.db2.gz XUJUSJLXGAMFRW-WCXIOVBPSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000564822063 290235773 /nfs/dbraw/zinc/23/57/73/290235773.db2.gz BSBWRIHFAMZELT-ZDUSSCGKSA-N 2 0 262.397 2.756 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000564822776 290236589 /nfs/dbraw/zinc/23/65/89/290236589.db2.gz NFAFAYOPIFLYCE-GFCCVEGCSA-N 2 0 279.403 2.542 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000564824518 290237071 /nfs/dbraw/zinc/23/70/71/290237071.db2.gz FSEPAPRGNLVWKX-ZIAGYGMSSA-N 2 0 264.413 2.732 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000564824688 290237300 /nfs/dbraw/zinc/23/73/00/290237300.db2.gz NUVFBPZGUBSXMB-ZIAGYGMSSA-N 2 0 264.413 2.827 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cc1F ZINC000564823925 290237544 /nfs/dbraw/zinc/23/75/44/290237544.db2.gz PHPHVCFUIVEAPK-IUCAKERBSA-N 2 0 289.192 2.804 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000565155418 290272727 /nfs/dbraw/zinc/27/27/27/290272727.db2.gz FARIYVQBBIOZCV-HUUCEWRRSA-N 2 0 262.397 2.576 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000565610357 290313749 /nfs/dbraw/zinc/31/37/49/290313749.db2.gz YQWPARYIORCFSU-NUWOQIAWSA-N 2 0 274.408 2.594 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000565710597 290318986 /nfs/dbraw/zinc/31/89/86/290318986.db2.gz XTLRJSFVURATOD-AWEZNQCLSA-N 2 0 286.423 2.831 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000565749807 290321761 /nfs/dbraw/zinc/32/17/61/290321761.db2.gz HDTNNGQEHWHNCS-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](NCCc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000566062427 290344021 /nfs/dbraw/zinc/34/40/21/290344021.db2.gz IKGTVYOAQRCESS-FZMZJTMJSA-N 2 0 284.350 2.561 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000566062626 290344170 /nfs/dbraw/zinc/34/41/70/290344170.db2.gz TWVSQAIWZBPANQ-VDSRIPIWSA-N 2 0 259.397 2.640 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566242082 290361703 /nfs/dbraw/zinc/36/17/03/290361703.db2.gz HFESUPNOHYTRFM-GOSISDBHSA-N 2 0 288.435 2.703 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367106056 290387240 /nfs/dbraw/zinc/38/72/40/290387240.db2.gz HLUIOZDWQORIGI-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C)c1csc(CN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000566482741 290393246 /nfs/dbraw/zinc/39/32/46/290393246.db2.gz QAYBEHKETQCDNQ-GHMZBOCLSA-N 2 0 267.442 2.800 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000567102478 290438150 /nfs/dbraw/zinc/43/81/50/290438150.db2.gz DZOAEVOYQZJLQC-MRXNPFEDSA-N 2 0 276.449 2.606 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000569019775 290583092 /nfs/dbraw/zinc/58/30/92/290583092.db2.gz OHNRDPCTSHLIRJ-UONOGXRCSA-N 2 0 260.381 2.544 20 0 CFADRP COC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000353402422 293146513 /nfs/dbraw/zinc/14/65/13/293146513.db2.gz IZYLZMWXJKHDHE-JCYILVPMSA-N 2 0 276.424 2.837 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000423468168 293154236 /nfs/dbraw/zinc/15/42/36/293154236.db2.gz JMJDGPUFCCTWCJ-RBOXIYTFSA-N 2 0 298.377 2.759 20 0 CFADRP FC(F)C1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423283988 294702474 /nfs/dbraw/zinc/70/24/74/294702474.db2.gz XVYDSHWSMQSACH-PNESKVBLSA-N 2 0 260.372 2.790 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000423119073 295223849 /nfs/dbraw/zinc/22/38/49/295223849.db2.gz DCNQWPOGLSLFPL-MOQPWLNLSA-N 2 0 296.842 2.871 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423316504 295228858 /nfs/dbraw/zinc/22/88/58/295228858.db2.gz BSSLLRGLMHICJN-HZPDHXFCSA-N 2 0 296.842 2.759 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423227587 295239116 /nfs/dbraw/zinc/23/91/16/295239116.db2.gz WGTPDPJWKKZTBI-YNEHKIRRSA-N 2 0 250.386 2.514 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423206060 295239176 /nfs/dbraw/zinc/23/91/76/295239176.db2.gz FRURCIQJEMDTSR-RBSFLKMASA-N 2 0 276.424 2.776 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423490267 295275744 /nfs/dbraw/zinc/27/57/44/295275744.db2.gz HQBXFJQLCAWEOG-XJKCOSOUSA-N 2 0 290.407 2.626 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422908196 295307136 /nfs/dbraw/zinc/30/71/36/295307136.db2.gz MDDIPYOHZCDULY-BBWFWOEESA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCC[NH+]2CCCCCC2)c2ccccc21 ZINC000157419442 295324053 /nfs/dbraw/zinc/32/40/53/295324053.db2.gz XUFFHJYVVJZHQA-IAGOWNOFSA-N 2 0 273.424 2.597 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423271083 295337524 /nfs/dbraw/zinc/33/75/24/295337524.db2.gz ITVACYNCHRSLPX-MAZHCROVSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)c2ccccc21 ZINC000423113254 295343027 /nfs/dbraw/zinc/34/30/27/295343027.db2.gz KRPVDNYVYFWSJU-RFQIPJPRSA-N 2 0 282.334 2.881 20 0 CFADRP COc1ccccc1/C=C\C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000255678181 295347239 /nfs/dbraw/zinc/34/72/39/295347239.db2.gz LFMSDHYJEROPOG-VURMDHGXSA-N 2 0 288.435 2.982 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261595672 295364927 /nfs/dbraw/zinc/36/49/27/295364927.db2.gz IGLHBQBMJLJZEC-JYJNAYRXSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2N(C)C)C[C@@H]1C[NH3+] ZINC000422634176 297367285 /nfs/dbraw/zinc/36/72/85/297367285.db2.gz JJNIVOMHNSVLOB-YCPHGPKFSA-N 2 0 275.440 2.558 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCNc1ccccc1F ZINC000423035586 298390461 /nfs/dbraw/zinc/39/04/61/298390461.db2.gz RXPXSPVTPPAAFC-CYBMUJFWSA-N 2 0 267.392 2.735 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000423447721 298392563 /nfs/dbraw/zinc/39/25/63/298392563.db2.gz ZYWQASMPCJVURS-CHWSQXEVSA-N 2 0 274.412 2.741 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422932648 299000931 /nfs/dbraw/zinc/00/09/31/299000931.db2.gz GGGAYMCAUDPJAE-GDIGMMSISA-N 2 0 298.430 2.724 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]2CCCC[C@H]12 ZINC000414719875 300266046 /nfs/dbraw/zinc/26/60/46/300266046.db2.gz ZZYPHVSMZCHONK-UYJHQMFVSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414715985 300492470 /nfs/dbraw/zinc/49/24/70/300492470.db2.gz XQQQLNWSFWHMNX-QWHCGFSZSA-N 2 0 262.372 2.793 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1Br ZINC000414829835 533694999 /nfs/dbraw/zinc/69/49/99/533694999.db2.gz LGJVBDXZUIMOJO-GFCCVEGCSA-N 2 0 297.240 2.847 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000423056476 302209121 /nfs/dbraw/zinc/20/91/21/302209121.db2.gz FYBYUEACVVKTAE-IVSAIRAKSA-N 2 0 277.456 2.702 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000423171238 303399847 /nfs/dbraw/zinc/39/98/47/303399847.db2.gz NRPNZWUBMPJUOL-VGWMRTNUSA-N 2 0 250.430 2.920 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422811518 303399996 /nfs/dbraw/zinc/39/99/96/303399996.db2.gz PBNDRGYSJFULDP-HOCLYGCPSA-N 2 0 258.409 2.825 20 0 CFADRP [NH3+]C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000423266476 303417961 /nfs/dbraw/zinc/41/79/61/303417961.db2.gz SDBWZRXXESHSAB-ULQDDVLXSA-N 2 0 273.424 2.628 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335242615 304858485 /nfs/dbraw/zinc/85/84/85/304858485.db2.gz TTXKRQMBKCSZBB-DZGCQCFKSA-N 2 0 260.381 2.632 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)C1 ZINC000570226646 322521423 /nfs/dbraw/zinc/52/14/23/322521423.db2.gz OZGPFUQWVORIGW-QWHCGFSZSA-N 2 0 268.788 2.578 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000570442167 322532956 /nfs/dbraw/zinc/53/29/56/322532956.db2.gz WEPMAQOKGLEPHA-INIZCTEOSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000571156515 322572216 /nfs/dbraw/zinc/57/22/16/322572216.db2.gz NWMOOEHILDKXGP-LLVKDONJSA-N 2 0 275.421 2.947 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000571862523 322598743 /nfs/dbraw/zinc/59/87/43/322598743.db2.gz HPNGPDJQTLWXKY-UKRRQHHQSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000572483737 322620468 /nfs/dbraw/zinc/62/04/68/322620468.db2.gz PPNIPGGUVHFMGV-WCFLWFBJSA-N 2 0 265.376 2.780 20 0 CFADRP CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000573593175 322662077 /nfs/dbraw/zinc/66/20/77/322662077.db2.gz CYJODCUYXGBWMI-QLFBSQMISA-N 2 0 256.434 2.689 20 0 CFADRP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000187626130 323998921 /nfs/dbraw/zinc/99/89/21/323998921.db2.gz XEFCCTOWFCRTHR-OAHLLOKOSA-N 2 0 276.424 2.655 20 0 CFADRP COC[C@H](C)C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000187737553 324002188 /nfs/dbraw/zinc/00/21/88/324002188.db2.gz GXRYTQQZJNPSNJ-OAHLLOKOSA-N 2 0 278.440 2.899 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC=C(C)C)[C@H](C)C1 ZINC000189999504 324036013 /nfs/dbraw/zinc/03/60/13/324036013.db2.gz OZHPQMBEIDYEHE-HZPDHXFCSA-N 2 0 268.445 2.679 20 0 CFADRP C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211933944 324110996 /nfs/dbraw/zinc/11/09/96/324110996.db2.gz CUGYGRLCRQAVLL-UHFFFAOYSA-N 2 0 266.388 2.964 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000312251888 324114148 /nfs/dbraw/zinc/11/41/48/324114148.db2.gz GWQYAMBARQJMPH-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000383474876 324440014 /nfs/dbraw/zinc/44/00/14/324440014.db2.gz CYKDMPLOUWPMNY-JHJVBQTASA-N 2 0 258.356 2.542 20 0 CFADRP c1ccc(COC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000384174994 324443464 /nfs/dbraw/zinc/44/34/64/324443464.db2.gz YDLMUXGLXKFIDO-INIZCTEOSA-N 2 0 288.435 2.667 20 0 CFADRP CSCC1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000385889287 324469716 /nfs/dbraw/zinc/46/97/16/324469716.db2.gz YVNXIKDOZWJMRJ-UHFFFAOYSA-N 2 0 270.486 2.840 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000387425201 324492201 /nfs/dbraw/zinc/49/22/01/324492201.db2.gz VZCVJKROOQYMKJ-ZDUSSCGKSA-N 2 0 276.449 2.950 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])COCc1ccccc1 ZINC000389954904 324522459 /nfs/dbraw/zinc/52/24/59/324522459.db2.gz VYQXCXXIDFJRET-PVAVHDDUSA-N 2 0 276.424 2.556 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C)c1 ZINC000576597912 324636868 /nfs/dbraw/zinc/63/68/68/324636868.db2.gz BEFJCLWFELMFKC-HZPDHXFCSA-N 2 0 275.440 2.681 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C1 ZINC000576718096 324651419 /nfs/dbraw/zinc/65/14/19/324651419.db2.gz QWTOOHLJMSHWNN-KBPBESRZSA-N 2 0 275.371 2.709 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000576957089 324680648 /nfs/dbraw/zinc/68/06/48/324680648.db2.gz IDNUXUOODNHUAA-LSDHHAIUSA-N 2 0 262.397 2.753 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2cccnc2)cc1 ZINC000577170567 324704314 /nfs/dbraw/zinc/70/43/14/324704314.db2.gz NHUNYVCAIVCXMZ-SFHVURJKSA-N 2 0 299.393 2.899 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000577633198 324761719 /nfs/dbraw/zinc/76/17/19/324761719.db2.gz CEHKAJNXBDVONT-WDEREUQCSA-N 2 0 292.814 2.946 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000577752591 324777605 /nfs/dbraw/zinc/77/76/05/324777605.db2.gz FBZOXASIVUDAFV-RCCFBDPRSA-N 2 0 288.435 2.830 20 0 CFADRP COc1ccc([C@H]([NH2+]CCOCC[NH+](C)C)C(C)C)cc1 ZINC000577854887 324788663 /nfs/dbraw/zinc/78/86/63/324788663.db2.gz PQIIIHDRNJKNBM-QGZVFWFLSA-N 2 0 294.439 2.560 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000578651812 324875243 /nfs/dbraw/zinc/87/52/43/324875243.db2.gz KQVZEYSQMAOTRI-WDEREUQCSA-N 2 0 292.814 2.946 20 0 CFADRP CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000578738616 324883905 /nfs/dbraw/zinc/88/39/05/324883905.db2.gz DUPPBVLKLBOQCA-RBSFLKMASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000579223313 324932493 /nfs/dbraw/zinc/93/24/93/324932493.db2.gz XJMVMHZMKACFGR-HNNXBMFYSA-N 2 0 276.424 2.533 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC2CCC1CC2 ZINC000580075273 325004634 /nfs/dbraw/zinc/00/46/34/325004634.db2.gz AFDKADQCRARFOV-SAYOKUIWSA-N 2 0 292.467 2.559 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])nc21 ZINC000580088667 325006274 /nfs/dbraw/zinc/00/62/74/325006274.db2.gz AOUVXIHCRFMVNP-UONOGXRCSA-N 2 0 287.407 2.928 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C1 ZINC000580094953 325007591 /nfs/dbraw/zinc/00/75/91/325007591.db2.gz CJCRYHWDIGJQHR-HUUCEWRRSA-N 2 0 271.408 2.960 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000580324598 325025750 /nfs/dbraw/zinc/02/57/50/325025750.db2.gz BFDFEZFVZZVZLF-HNNXBMFYSA-N 2 0 282.472 2.998 20 0 CFADRP Cc1ccc(SCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000580445983 325036995 /nfs/dbraw/zinc/03/69/95/325036995.db2.gz QOPWDLPYMPQUEY-HOTGVXAUSA-N 2 0 290.476 2.937 20 0 CFADRP Cc1ccc(SCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000580445985 325037413 /nfs/dbraw/zinc/03/74/13/325037413.db2.gz QOPWDLPYMPQUEY-JKSUJKDBSA-N 2 0 290.476 2.937 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000580761739 325061277 /nfs/dbraw/zinc/06/12/77/325061277.db2.gz WPFZMFKOMQZZAZ-CQSZACIVSA-N 2 0 299.418 2.723 20 0 CFADRP CCc1cccc(C[NH2+]C2CC[NH+](CCCOC)CC2)c1 ZINC000581135972 325094421 /nfs/dbraw/zinc/09/44/21/325094421.db2.gz NMFBVPBSYUONBS-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000581166364 325096170 /nfs/dbraw/zinc/09/61/70/325096170.db2.gz YOSJXWMGUNURBV-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000581190693 325098891 /nfs/dbraw/zinc/09/88/91/325098891.db2.gz VOQWDSSUPCHGKO-MRXNPFEDSA-N 2 0 289.423 2.657 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000581200973 325100131 /nfs/dbraw/zinc/10/01/31/325100131.db2.gz WKEWRAAIQNOVDV-KBPBESRZSA-N 2 0 250.361 2.536 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CCO2 ZINC000581423585 325120095 /nfs/dbraw/zinc/12/00/95/325120095.db2.gz HTQYUUGKFGRMRR-MAZHCROVSA-N 2 0 290.407 2.626 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CCO2 ZINC000581423587 325120136 /nfs/dbraw/zinc/12/01/36/325120136.db2.gz HTQYUUGKFGRMRR-WQVCFCJDSA-N 2 0 290.407 2.626 20 0 CFADRP CCOC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000581934272 325161114 /nfs/dbraw/zinc/16/11/14/325161114.db2.gz CVDXLGBMAHLSSU-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000581947380 325162193 /nfs/dbraw/zinc/16/21/93/325162193.db2.gz WBADPPWOMZUIFP-UHFFFAOYSA-N 2 0 284.407 2.638 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582304566 325193838 /nfs/dbraw/zinc/19/38/38/325193838.db2.gz UMWLQKIAMUQXPN-NBOOPKSLSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582311272 325195206 /nfs/dbraw/zinc/19/52/06/325195206.db2.gz HZZBGYLKYLEQTG-HZPDHXFCSA-N 2 0 275.440 2.891 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc2c(s1)CCCC2 ZINC000582414373 325203133 /nfs/dbraw/zinc/20/31/33/325203133.db2.gz CILFUYFNXHKFAK-WDEREUQCSA-N 2 0 252.427 2.842 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000582735703 325230545 /nfs/dbraw/zinc/23/05/45/325230545.db2.gz KVNBUEYQZHEGGA-NUWOQIAWSA-N 2 0 258.409 2.966 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cc(N)ccc2O1 ZINC000582772984 325233026 /nfs/dbraw/zinc/23/30/26/325233026.db2.gz MFZXUOGTSHESRK-HIFRSBDPSA-N 2 0 289.423 2.603 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@@H](c2ccncc2)C1 ZINC000582943081 325246701 /nfs/dbraw/zinc/24/67/01/325246701.db2.gz TUNYZSBCPJDGAM-MRXNPFEDSA-N 2 0 261.413 2.603 20 0 CFADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000583020109 325252828 /nfs/dbraw/zinc/25/28/28/325252828.db2.gz NDWBSFMUNPWYOI-HZPDHXFCSA-N 2 0 290.451 2.922 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000583024603 325253479 /nfs/dbraw/zinc/25/34/79/325253479.db2.gz DTCYWRGRVNFEBD-CHWSQXEVSA-N 2 0 272.396 2.601 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000583024606 325253624 /nfs/dbraw/zinc/25/36/24/325253624.db2.gz DTCYWRGRVNFEBD-STQMWFEESA-N 2 0 272.396 2.601 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]C3CCC4(CCCO4)CC3)ccc12 ZINC000583248955 325271782 /nfs/dbraw/zinc/27/17/82/325271782.db2.gz PAQQJFAAGXQHND-UHFFFAOYSA-N 2 0 285.391 2.916 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000583928654 325319099 /nfs/dbraw/zinc/31/90/99/325319099.db2.gz QOZYORBXXWUGTC-HNNXBMFYSA-N 2 0 263.429 2.771 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])o1 ZINC000583928869 325319562 /nfs/dbraw/zinc/31/95/62/325319562.db2.gz WAULCFALKJPBII-PBHICJAKSA-N 2 0 272.392 2.679 20 0 CFADRP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000584053926 325327334 /nfs/dbraw/zinc/32/73/34/325327334.db2.gz QMYSXUAREGRINT-QGZVFWFLSA-N 2 0 270.376 2.623 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584100652 325330589 /nfs/dbraw/zinc/33/05/89/325330589.db2.gz DXIXAQULNCMXOG-STQMWFEESA-N 2 0 284.350 2.956 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584100651 325330736 /nfs/dbraw/zinc/33/07/36/325330736.db2.gz DXIXAQULNCMXOG-QWHCGFSZSA-N 2 0 284.350 2.956 20 0 CFADRP Fc1cnccc1CN1CCC(Nc2ccccn2)CC1 ZINC000584277271 325343037 /nfs/dbraw/zinc/34/30/37/325343037.db2.gz ORXHVZDSIZLIOK-UHFFFAOYSA-N 2 0 286.354 2.692 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc3[nH]ccc3c2)CC1 ZINC000584463716 329490464 /nfs/dbraw/zinc/49/04/64/329490464.db2.gz INWGEBTZKZJTPL-UHFFFAOYSA-N 2 0 271.408 2.818 20 0 CFADRP Brc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000163436646 518210836 /nfs/dbraw/zinc/21/08/36/518210836.db2.gz FYBABNTUXYOGCQ-UHFFFAOYSA-N 2 0 283.213 2.681 20 0 CFADRP CC(C)SCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000311972019 519787511 /nfs/dbraw/zinc/78/75/11/519787511.db2.gz MYHNNFDRMUDKIS-UHFFFAOYSA-N 2 0 279.453 2.782 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000312415012 520759744 /nfs/dbraw/zinc/75/97/44/520759744.db2.gz QQUNOJYTFKBCPI-OAHLLOKOSA-N 3 0 277.456 2.745 20 0 CFADRP COCC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000338389472 521974810 /nfs/dbraw/zinc/97/48/10/521974810.db2.gz TZEWXFSNLYNIGB-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423158456 533722918 /nfs/dbraw/zinc/72/29/18/533722918.db2.gz CQZTZTQNMPFFEY-LXTVHRRPSA-N 2 0 268.445 2.558 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423181669 533755107 /nfs/dbraw/zinc/75/51/07/533755107.db2.gz LIUFFMGEPALVKE-UOVPBQLFSA-N 2 0 288.435 2.906 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000423179211 533755288 /nfs/dbraw/zinc/75/52/88/533755288.db2.gz JFFWRNOJOOUERR-INWMFGNUSA-N 2 0 262.397 2.516 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000423140646 533767704 /nfs/dbraw/zinc/76/77/04/533767704.db2.gz YYFKHFZHRCMUOE-QWRGUYRKSA-N 2 0 270.804 2.607 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1Cl ZINC000423140162 533770273 /nfs/dbraw/zinc/77/02/73/533770273.db2.gz XOUPODCZMJUTPX-HIFRSBDPSA-N 2 0 296.842 2.998 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414871557 533771087 /nfs/dbraw/zinc/77/10/87/533771087.db2.gz DDGPZPUVUGIMIV-VIFPVBQESA-N 2 0 267.423 2.556 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414876255 533772217 /nfs/dbraw/zinc/77/22/17/533772217.db2.gz LBKCJYSKVFAVGC-AWEZNQCLSA-N 2 0 294.402 2.710 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423308528 533773312 /nfs/dbraw/zinc/77/33/12/533773312.db2.gz OQSRXHZHPBTWPX-XHDPSFHLSA-N 2 0 266.816 2.846 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423297387 533771243 /nfs/dbraw/zinc/77/12/43/533771243.db2.gz KBJIQACCSSSWOV-UWVGGRQHSA-N 2 0 258.312 2.533 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423302884 533771937 /nfs/dbraw/zinc/77/19/37/533771937.db2.gz WEMJFMHVVHHSMX-IUCAKERBSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422725359 533786484 /nfs/dbraw/zinc/78/64/84/533786484.db2.gz BEHBRKGQXNMEEC-BPUTZDHNSA-N 2 0 275.440 2.585 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCC[NH2+]C2)cc1F ZINC000414842003 533785870 /nfs/dbraw/zinc/78/58/70/533785870.db2.gz ZVOLUMKBYPBNNG-ZFWWWQNUSA-N 2 0 294.414 2.602 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)c1OC ZINC000423272282 533798380 /nfs/dbraw/zinc/79/83/80/533798380.db2.gz JVXJXHAVOJNJIY-WFASDCNBSA-N 2 0 294.439 2.516 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1-n1cccn1 ZINC000422883878 533806676 /nfs/dbraw/zinc/80/66/76/533806676.db2.gz DCAHYVUWAHUKBF-NFOMZHRRSA-N 2 0 284.407 2.793 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414828122 533819181 /nfs/dbraw/zinc/81/91/81/533819181.db2.gz IKSZEBXIIBDYKI-NVXWUHKLSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000414702592 533838230 /nfs/dbraw/zinc/83/82/30/533838230.db2.gz ICEPWKRPCXTMAR-GHMZBOCLSA-N 2 0 286.341 2.924 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)CC[NH2+]1 ZINC000414735855 533838275 /nfs/dbraw/zinc/83/82/75/533838275.db2.gz HHXBIFMAEVECOS-CHWSQXEVSA-N 2 0 278.444 2.527 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422899861 533845952 /nfs/dbraw/zinc/84/59/52/533845952.db2.gz PIOSKCCAWFFCNT-HUUCEWRRSA-N 2 0 293.430 2.759 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000423441670 533852326 /nfs/dbraw/zinc/85/23/26/533852326.db2.gz UQTABQLGBMETJJ-RISCZKNCSA-N 2 0 293.386 2.706 20 0 CFADRP C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422886378 533853280 /nfs/dbraw/zinc/85/32/80/533853280.db2.gz WPEPPCVXMOGVRI-KFWWJZLASA-N 2 0 290.455 2.513 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423064425 533858677 /nfs/dbraw/zinc/85/86/77/533858677.db2.gz YXHDKXSWKIOSGS-RYUDHWBXSA-N 2 0 252.427 2.765 20 0 CFADRP C[C@H]([NH2+]CCOc1ccccc1C(C)(C)C)C1C[NH2+]C1 ZINC000422955168 533861627 /nfs/dbraw/zinc/86/16/27/533861627.db2.gz IVRVOAZHWJHHHL-ZDUSSCGKSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423254169 533866623 /nfs/dbraw/zinc/86/66/23/533866623.db2.gz XJTDVOPWFRTFCY-NWDGAFQWSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000422915248 533871253 /nfs/dbraw/zinc/87/12/53/533871253.db2.gz XUKKZWCGUNTHFJ-NEPJUHHUSA-N 2 0 290.436 2.983 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422888875 533871380 /nfs/dbraw/zinc/87/13/80/533871380.db2.gz DUVZRYJGCXJUMG-GFCCVEGCSA-N 2 0 259.353 2.559 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000422810342 533873813 /nfs/dbraw/zinc/87/38/13/533873813.db2.gz ROWIFOHJZNAWPA-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422883900 533869049 /nfs/dbraw/zinc/86/90/49/533869049.db2.gz DETHGDKGODFZOA-CYBMUJFWSA-N 2 0 259.397 2.818 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422751932 533869991 /nfs/dbraw/zinc/86/99/91/533869991.db2.gz DHRYGYHNBIRJME-DOMZBBRYSA-N 2 0 283.847 2.660 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000415028982 533870522 /nfs/dbraw/zinc/87/05/22/533870522.db2.gz ZQTZTVKNYNSADA-LLVKDONJSA-N 2 0 292.814 2.947 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000423107925 533874791 /nfs/dbraw/zinc/87/47/91/533874791.db2.gz LPWVAGWNXJZITQ-XFBWCDHKSA-N 2 0 298.377 2.982 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414891643 533899454 /nfs/dbraw/zinc/89/94/54/533899454.db2.gz VWKHPTAPZRKDQW-SNVBAGLBSA-N 2 0 278.787 2.557 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000414860458 533920350 /nfs/dbraw/zinc/92/03/50/533920350.db2.gz VNQXRTMCLQCPFT-VHSXEESVSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1C ZINC000414080034 533929900 /nfs/dbraw/zinc/92/99/00/533929900.db2.gz UFGPWRXIPRKEOL-JKIFEVAISA-N 2 0 276.424 2.761 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414978165 533950992 /nfs/dbraw/zinc/95/09/92/533950992.db2.gz SHKXDMHZRQQPET-YCOJEUHLSA-N 2 0 274.408 2.830 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903463 533959702 /nfs/dbraw/zinc/95/97/02/533959702.db2.gz MBVWTAOFGWZYPR-AFCDSYGPSA-N 2 0 274.408 2.688 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000130622243 533961502 /nfs/dbraw/zinc/96/15/02/533961502.db2.gz RLKFTLBVQVSHTA-BBWFWOEESA-N 2 0 258.409 2.863 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423325082 533982043 /nfs/dbraw/zinc/98/20/43/533982043.db2.gz PYZJJTRCOCOROI-MEBBXXQBSA-N 2 0 268.351 2.613 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425361578 533983659 /nfs/dbraw/zinc/98/36/59/533983659.db2.gz UGOYTOZJEHLIFI-JKSUJKDBSA-N 2 0 291.464 2.782 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000414704865 534019749 /nfs/dbraw/zinc/01/97/49/534019749.db2.gz JXOSDLINLOPQGB-HNNXBMFYSA-N 2 0 278.440 2.979 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](C)C[NH3+])c1cccc(Br)c1 ZINC000414876928 534058820 /nfs/dbraw/zinc/05/88/20/534058820.db2.gz LZAPBGYQURBTMZ-QWRGUYRKSA-N 2 0 285.229 2.737 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000414853309 534059338 /nfs/dbraw/zinc/05/93/38/534059338.db2.gz RVACMFZRMUBSKH-ZDUSSCGKSA-N 2 0 250.361 2.613 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2ccnn2C)c1 ZINC000414899520 534060507 /nfs/dbraw/zinc/06/05/07/534060507.db2.gz CBOJQEIQMSHDOS-MRXNPFEDSA-N 2 0 298.434 2.627 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000422768755 534068548 /nfs/dbraw/zinc/06/85/48/534068548.db2.gz UWEVGJOAGRZKCX-UGUYLWEFSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423028799 534069739 /nfs/dbraw/zinc/06/97/39/534069739.db2.gz HEIQOYMOEYPGRT-MFKMUULPSA-N 2 0 286.341 2.624 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000422936536 534072615 /nfs/dbraw/zinc/07/26/15/534072615.db2.gz IOHOOXKLWDAUHJ-ZYHUDNBSSA-N 2 0 272.845 2.922 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422889559 534073832 /nfs/dbraw/zinc/07/38/32/534073832.db2.gz PWANSFRAIICKII-IJEWVQPXSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422760191 534075458 /nfs/dbraw/zinc/07/54/58/534075458.db2.gz KPDWJVCEKFLLDT-IUODEOHRSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422754090 534078926 /nfs/dbraw/zinc/07/89/26/534078926.db2.gz DPYZCPKSHLLKNM-HPUBIQBYSA-N 2 0 287.451 2.545 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422756849 534106217 /nfs/dbraw/zinc/10/62/17/534106217.db2.gz CNVZFXMMVSVYAB-HUUCEWRRSA-N 2 0 264.438 2.698 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414845408 534116908 /nfs/dbraw/zinc/11/69/08/534116908.db2.gz DILCQYPJORDLPY-OFQRWUPVSA-N 2 0 276.424 2.604 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422877517 534147968 /nfs/dbraw/zinc/14/79/68/534147968.db2.gz RPCUWAZCZIUWHC-NWDGAFQWSA-N 2 0 252.427 2.932 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422877519 534147985 /nfs/dbraw/zinc/14/79/85/534147985.db2.gz RPCUWAZCZIUWHC-RYUDHWBXSA-N 2 0 252.427 2.932 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000422869819 534176133 /nfs/dbraw/zinc/17/61/33/534176133.db2.gz YDEOEEBCISEXNJ-GVXVVHGQSA-N 2 0 250.411 2.939 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH3+] ZINC000423286886 534249447 /nfs/dbraw/zinc/24/94/47/534249447.db2.gz JFYQKECEXLVVFA-JTQLQIEISA-N 2 0 274.330 2.963 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414829066 534253426 /nfs/dbraw/zinc/25/34/26/534253426.db2.gz AJCOWORFCHWEFC-KBPBESRZSA-N 2 0 264.388 2.736 20 0 CFADRP Brc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000334882510 518221050 /nfs/dbraw/zinc/22/10/50/518221050.db2.gz NEFJYAJSXQXBJJ-PBWFPOADSA-N 2 0 295.224 2.822 20 0 CFADRP C(C[NH+]1CCCC1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000162637882 518386558 /nfs/dbraw/zinc/38/65/58/518386558.db2.gz ISOICYGHSGNTFU-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156100019 518394064 /nfs/dbraw/zinc/39/40/64/518394064.db2.gz HTTXJGIAWNMLCM-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCOCC[NH+](C)C ZINC000354203124 518440047 /nfs/dbraw/zinc/44/00/47/518440047.db2.gz GPGAWQFGSGQKCG-WYMLVPIESA-N 2 0 296.842 2.911 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)C[NH3+])CC3 ZINC000414870226 534368473 /nfs/dbraw/zinc/36/84/73/534368473.db2.gz BRPKKGPGSXLOKC-OLZOCXBDSA-N 2 0 271.408 2.518 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836260 518874782 /nfs/dbraw/zinc/87/47/82/518874782.db2.gz FHWVIVIFDRRUHY-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414822841 534404674 /nfs/dbraw/zinc/40/46/74/534404674.db2.gz CTFSVRVLLFNYTG-GFCCVEGCSA-N 2 0 288.313 2.674 20 0 CFADRP FC(F)(F)Oc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414833210 534407114 /nfs/dbraw/zinc/40/71/14/534407114.db2.gz RFWURKLOXPSMJU-LBPRGKRZSA-N 2 0 288.313 2.674 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(-c2cccc(C[NH+](C)C)c2)n1 ZINC000339399608 519228092 /nfs/dbraw/zinc/22/80/92/519228092.db2.gz YVYXDKVZALRBLX-CQSZACIVSA-N 2 0 288.395 2.844 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000361891077 519393762 /nfs/dbraw/zinc/39/37/62/519393762.db2.gz GXSKXMMJSQGYON-KRWDZBQOSA-N 2 0 290.451 2.820 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000163578302 519654023 /nfs/dbraw/zinc/65/40/23/519654023.db2.gz INBWNLBTSMBWOT-NVXWUHKLSA-N 2 0 282.472 2.759 20 0 CFADRP Fc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000414830454 534440799 /nfs/dbraw/zinc/44/07/99/534440799.db2.gz MBMCNQDXNYQHIU-SNVBAGLBSA-N 2 0 288.313 2.516 20 0 CFADRP CC(C)COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000066152250 519762885 /nfs/dbraw/zinc/76/28/85/519762885.db2.gz MIRHQJNSFDDNAT-UHFFFAOYSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC000070361850 519805806 /nfs/dbraw/zinc/80/58/06/519805806.db2.gz DMGPUGXXYQZIMD-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000305899404 519847050 /nfs/dbraw/zinc/84/70/50/519847050.db2.gz OANKXUKWOFSNIG-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305372318 519886953 /nfs/dbraw/zinc/88/69/53/519886953.db2.gz XYKHXSKWBTVBIC-GJZGRUSLSA-N 2 0 268.445 2.534 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000414824119 534461073 /nfs/dbraw/zinc/46/10/73/534461073.db2.gz AFMURPGQZULKPF-YYRQZUAOSA-N 2 0 266.335 2.567 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)ccc2n1 ZINC000414859911 534468725 /nfs/dbraw/zinc/46/87/25/534468725.db2.gz UYMNCCNDQLUKHP-HNNXBMFYSA-N 2 0 269.392 2.632 20 0 CFADRP CCOC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000233772612 520149212 /nfs/dbraw/zinc/14/92/12/520149212.db2.gz YQACZEOKAZQARN-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360064728 520192752 /nfs/dbraw/zinc/19/27/52/520192752.db2.gz WFURREWVZQSVCE-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP c1ccc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420303604 534482453 /nfs/dbraw/zinc/48/24/53/534482453.db2.gz KUAHFYFKCSQHMG-OAHLLOKOSA-N 2 0 258.409 2.866 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049553577 520370167 /nfs/dbraw/zinc/37/01/67/520370167.db2.gz HEPSKWHGIIVEOM-AWEZNQCLSA-N 2 0 264.413 2.905 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCCC2 ZINC000085677613 520423292 /nfs/dbraw/zinc/42/32/92/520423292.db2.gz DYJPAARSWWBFPS-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000087708568 520423562 /nfs/dbraw/zinc/42/35/62/520423562.db2.gz SWFQKLKOYBTPBV-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C1CCCCC1 ZINC000165962925 520502441 /nfs/dbraw/zinc/50/24/41/520502441.db2.gz CXYTXJRONCBFRE-GDBMZVCRSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000087708571 520548190 /nfs/dbraw/zinc/54/81/90/520548190.db2.gz SWFQKLKOYBTPBV-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000365192140 520604352 /nfs/dbraw/zinc/60/43/52/520604352.db2.gz VKZKXRQZUUMJJE-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000365193292 520608571 /nfs/dbraw/zinc/60/85/71/520608571.db2.gz UUUNEWNUZQJJOQ-IAGOWNOFSA-N 2 0 282.472 2.857 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000071297792 520626404 /nfs/dbraw/zinc/62/64/04/520626404.db2.gz OAOPNRVXWGUPKD-MRXNPFEDSA-N 2 0 296.455 2.574 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000070443376 520631225 /nfs/dbraw/zinc/63/12/25/520631225.db2.gz RJFOVAFCEIFLSO-KGLIPLIRSA-N 2 0 266.433 2.581 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000071372530 520636950 /nfs/dbraw/zinc/63/69/50/520636950.db2.gz WXKWTKATRUNNHK-HNNXBMFYSA-N 2 0 288.439 2.934 20 0 CFADRP c1cncc(-c2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)c1 ZINC000414822795 534507400 /nfs/dbraw/zinc/50/74/00/534507400.db2.gz COXAIYYOIMPANE-MRXNPFEDSA-N 2 0 281.403 2.838 20 0 CFADRP c1cncc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423213776 534509690 /nfs/dbraw/zinc/50/96/90/534509690.db2.gz OAMOALZFGQFQHE-BBRMVZONSA-N 2 0 259.397 2.512 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000354032630 520694670 /nfs/dbraw/zinc/69/46/70/520694670.db2.gz CKQBFKYRFWZWCV-UHFFFAOYSA-N 2 0 294.439 2.911 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC000361457418 520738369 /nfs/dbraw/zinc/73/83/69/520738369.db2.gz AFQMPUZTGBYLLP-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000165313076 521055576 /nfs/dbraw/zinc/05/55/76/521055576.db2.gz LXILDIFFKQRKGI-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CCC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305156277 521189740 /nfs/dbraw/zinc/18/97/40/521189740.db2.gz VVFMPNRNVJPXSD-INIZCTEOSA-N 2 0 268.445 2.534 20 0 CFADRP [NH3+]C1(C[NH2+]CCCc2c(F)cccc2Cl)CCC1 ZINC000414872071 534549290 /nfs/dbraw/zinc/54/92/90/534549290.db2.gz FCGSYQSQIRORJT-UHFFFAOYSA-N 2 0 270.779 2.883 20 0 CFADRP CCC(CC)(CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000161526800 521451890 /nfs/dbraw/zinc/45/18/90/521451890.db2.gz ISRSPLVRQZXAND-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCCn2ccnc2C)C1 ZINC000162083204 521491290 /nfs/dbraw/zinc/49/12/90/521491290.db2.gz WAEMPCZQVSGWAL-KRWDZBQOSA-N 2 0 292.471 2.635 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000367713456 521576376 /nfs/dbraw/zinc/57/63/76/521576376.db2.gz SWUSAZSUQZQWDG-UHFFFAOYSA-N 2 0 273.424 2.577 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000070185447 521580639 /nfs/dbraw/zinc/58/06/39/521580639.db2.gz VEADAGQQVGHEGM-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP CCOC1CC([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC000158009270 521650723 /nfs/dbraw/zinc/65/07/23/521650723.db2.gz JZBGTQLOXDSFRY-UHFFFAOYSA-N 2 0 276.424 2.666 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2sccc2C)CC1 ZINC000155640617 521692023 /nfs/dbraw/zinc/69/20/23/521692023.db2.gz OBWQUGNVMJXVBA-LSDHHAIUSA-N 2 0 295.496 2.733 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2sccc2C)CC1 ZINC000155640743 521694783 /nfs/dbraw/zinc/69/47/83/521694783.db2.gz OBWQUGNVMJXVBA-HUUCEWRRSA-N 2 0 295.496 2.733 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CC)[C@H](C)C1 ZINC000245536491 521708067 /nfs/dbraw/zinc/70/80/67/521708067.db2.gz LIIVQWUXCZVBJM-XHSDSOJGSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)C1 ZINC000354164636 521710439 /nfs/dbraw/zinc/71/04/39/521710439.db2.gz PLPOZSIRSQFVNB-STQMWFEESA-N 2 0 252.446 2.989 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(COC)CCC2)C[C@H]1C ZINC000361324048 521713076 /nfs/dbraw/zinc/71/30/76/521713076.db2.gz LGNSIDZRPPZNQC-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(SC)CCC2)[C@@H](C)C1 ZINC000356118774 521713797 /nfs/dbraw/zinc/71/37/97/521713797.db2.gz YECIOGVNPJUYEU-UONOGXRCSA-N 2 0 270.486 2.934 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000245420551 521720627 /nfs/dbraw/zinc/72/06/27/521720627.db2.gz HMVSVCAWULLOCU-BBRMVZONSA-N 2 0 264.388 2.988 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000226744648 521795206 /nfs/dbraw/zinc/79/52/06/521795206.db2.gz HEOJFMJEDKZINR-UHFFFAOYSA-N 2 0 284.469 2.713 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2(c3ccccc3F)CC2)CC1 ZINC000422941767 534593524 /nfs/dbraw/zinc/59/35/24/534593524.db2.gz IJIFKSUTYGQBGL-UHFFFAOYSA-N 2 0 262.372 2.922 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000300408477 521886900 /nfs/dbraw/zinc/88/69/00/521886900.db2.gz OIBWWHGARDJIQR-ZMSDIMECSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cs1 ZINC000414185961 534600788 /nfs/dbraw/zinc/60/07/88/534600788.db2.gz OUZGRJUCDMATQS-WCQYABFASA-N 2 0 267.442 2.834 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000339414512 521977780 /nfs/dbraw/zinc/97/77/80/521977780.db2.gz DZEWHPQXVAOIQT-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000310007383 521983737 /nfs/dbraw/zinc/98/37/37/521983737.db2.gz IKJBOXRENCXXLD-UHFFFAOYSA-N 2 0 290.451 2.915 20 0 CFADRP [NH3+]CCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000414753240 534608992 /nfs/dbraw/zinc/60/89/92/534608992.db2.gz LZWAMUMGIVZZKX-UHFFFAOYSA-N 2 0 264.388 2.962 20 0 CFADRP [NH3+]CCCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414905403 534605165 /nfs/dbraw/zinc/60/51/65/534605165.db2.gz OGTRMZHPUUQFLN-UHFFFAOYSA-N 2 0 295.858 2.633 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000414901163 534605471 /nfs/dbraw/zinc/60/54/71/534605471.db2.gz ILJWQUDUIJIJPE-UHFFFAOYSA-N 2 0 281.831 2.769 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414905851 534607460 /nfs/dbraw/zinc/60/74/60/534607460.db2.gz OOCVUWSZFNFGPE-GJZGRUSLSA-N 2 0 250.361 2.790 20 0 CFADRP CC[C@H](COC)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000163598551 522258778 /nfs/dbraw/zinc/25/87/78/522258778.db2.gz KJRUCENRIBUFGB-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(OC)c1 ZINC000156675709 522349190 /nfs/dbraw/zinc/34/91/90/522349190.db2.gz MXZIVEOPEFSBCN-INIZCTEOSA-N 2 0 280.412 2.509 20 0 CFADRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1C ZINC000336129231 522368312 /nfs/dbraw/zinc/36/83/12/522368312.db2.gz XLXQOBQZUPCMKI-UHFFFAOYSA-N 2 0 274.408 2.579 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422777323 534635376 /nfs/dbraw/zinc/63/53/76/534635376.db2.gz FIMBGUXHLKFHOD-ZBFHGGJFSA-N 2 0 260.425 2.990 20 0 CFADRP CC[C@@H](CCO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166737214 522508948 /nfs/dbraw/zinc/50/89/48/522508948.db2.gz BUJIBXCXRMRFIB-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP Clc1cccc(Cl)c1CC[NH2+]C1CC[NH2+]CC1 ZINC000422743311 534644059 /nfs/dbraw/zinc/64/40/59/534644059.db2.gz TVSRYIXWFWJYDN-UHFFFAOYSA-N 2 0 273.207 2.878 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000360428310 522666713 /nfs/dbraw/zinc/66/67/13/522666713.db2.gz MWKZJPJPIBWUKS-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000234793941 522668529 /nfs/dbraw/zinc/66/85/29/522668529.db2.gz MSNGVGLKBMYPJL-ZDUSSCGKSA-N 2 0 290.329 2.549 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000163604023 522732415 /nfs/dbraw/zinc/73/24/15/522732415.db2.gz CLQKZENJLFRBLK-KRWDZBQOSA-N 2 0 282.472 2.759 20 0 CFADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000338545702 522755565 /nfs/dbraw/zinc/75/55/65/522755565.db2.gz IVMZDLHZYTUQCJ-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000227495130 522819049 /nfs/dbraw/zinc/81/90/49/522819049.db2.gz YHNBBJCDYYSRNV-CQSZACIVSA-N 2 0 279.403 2.993 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422944782 534665156 /nfs/dbraw/zinc/66/51/56/534665156.db2.gz STOTXFCLOVOWFM-WBVHZDCISA-N 2 0 260.425 2.824 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217511266 523092683 /nfs/dbraw/zinc/09/26/83/523092683.db2.gz FGUBKZQSXXYEIZ-WFASDCNBSA-N 2 0 250.361 2.948 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000361923345 523427050 /nfs/dbraw/zinc/42/70/50/523427050.db2.gz DEDBRDCMEABZDD-CABCVRRESA-N 2 0 270.461 2.758 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931954 534714948 /nfs/dbraw/zinc/71/49/48/534714948.db2.gz DFPBICJIJBNZFT-HUUCEWRRSA-N 2 0 282.815 2.968 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338685994 523586582 /nfs/dbraw/zinc/58/65/82/523586582.db2.gz ASWMPVYUSCUDRU-KBAYOESNSA-N 2 0 290.451 2.737 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218093 534728043 /nfs/dbraw/zinc/72/80/43/534728043.db2.gz UUKQUSYMIWLWGR-WMZOPIPTSA-N 2 0 272.436 2.905 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000227328215 523752643 /nfs/dbraw/zinc/75/26/43/523752643.db2.gz JPGVVBKSSXXCSK-UHFFFAOYSA-N 2 0 256.777 2.755 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156568930 523846723 /nfs/dbraw/zinc/84/67/23/523846723.db2.gz STTVBFJCRYHVGC-CABCVRRESA-N 2 0 296.455 2.524 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC000339441320 523856658 /nfs/dbraw/zinc/85/66/58/523856658.db2.gz VSOMDXKCHVCOTE-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc(F)c3)CC[C@@H]21 ZINC000158655260 523857430 /nfs/dbraw/zinc/85/74/30/523857430.db2.gz BTKVGLCZEHQJAD-YOEHRIQHSA-N 2 0 292.398 2.621 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933183 523875911 /nfs/dbraw/zinc/87/59/11/523875911.db2.gz KNVFOVMJCMIZTJ-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1ccccc1 ZINC000363425668 523980554 /nfs/dbraw/zinc/98/05/54/523980554.db2.gz FOYLGSQGHZHFCH-SJORKVTESA-N 2 0 269.392 2.797 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000191029295 524051920 /nfs/dbraw/zinc/05/19/20/524051920.db2.gz AEAZEASAOUFHRE-GOSISDBHSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000049553801 524168683 /nfs/dbraw/zinc/16/86/83/524168683.db2.gz ZVIPPNCQKIDXIU-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000311562012 524176709 /nfs/dbraw/zinc/17/67/09/524176709.db2.gz SFBUPYLMEPMIND-BSWAZPDLSA-N 2 0 258.409 2.849 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1C[NH3+] ZINC000163818609 524292867 /nfs/dbraw/zinc/29/28/67/524292867.db2.gz LCIZHXGUQMNMGU-GUYCJALGSA-N 2 0 258.409 2.592 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000335022028 524312608 /nfs/dbraw/zinc/31/26/08/524312608.db2.gz CIYIECZRIIAFAF-SMDDNHRTSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353519347 524439749 /nfs/dbraw/zinc/43/97/49/524439749.db2.gz MZDCIWRCZBKMFV-UHFFFAOYSA-N 2 0 276.424 2.538 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000049557785 524475915 /nfs/dbraw/zinc/47/59/15/524475915.db2.gz YWLHPBNFNXOGAK-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccc(F)cc1 ZINC000192908461 524481424 /nfs/dbraw/zinc/48/14/24/524481424.db2.gz AITBHUCFLCYGDB-OHRKKDJYSA-N 2 0 292.398 2.808 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000361386417 524563694 /nfs/dbraw/zinc/56/36/94/524563694.db2.gz KDDFDKXAPMFBCX-DLBZAZTESA-N 3 0 281.488 2.572 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1Br ZINC000220499707 524602742 /nfs/dbraw/zinc/60/27/42/524602742.db2.gz WEYYWKNVSLCCHX-SNVBAGLBSA-N 2 0 271.202 2.584 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000334839918 524609379 /nfs/dbraw/zinc/60/93/79/524609379.db2.gz DSYVMSDJCOOYKE-RISCZKNCSA-N 2 0 252.789 2.736 20 0 CFADRP C[C@@H]1CC[C@H](C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)O1 ZINC000365097650 524673269 /nfs/dbraw/zinc/67/32/69/524673269.db2.gz PGRSNVXVOUPRLA-SJLPKXTDSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C)s1 ZINC000334869647 524678115 /nfs/dbraw/zinc/67/81/15/524678115.db2.gz RFFYGAQDCJQQBO-CVEARBPZSA-N 2 0 294.464 2.693 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000311021691 524694959 /nfs/dbraw/zinc/69/49/59/524694959.db2.gz LUWMKZYYSVZUMN-QWHCGFSZSA-N 2 0 252.377 2.864 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1Cl ZINC000336050985 524715072 /nfs/dbraw/zinc/71/50/72/524715072.db2.gz CLTOGMKWLZMCHT-AAEUAGOBSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1Cl ZINC000334858738 524771460 /nfs/dbraw/zinc/77/14/60/524771460.db2.gz UPJWDYSXZHMZGB-BXUZGUMPSA-N 2 0 252.789 2.736 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000161614688 524772493 /nfs/dbraw/zinc/77/24/93/524772493.db2.gz YWZZZVUZRIRHNS-QMTHXVAHSA-N 2 0 252.427 2.937 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC[NH2+]1 ZINC000335254868 524781804 /nfs/dbraw/zinc/78/18/04/524781804.db2.gz CHQBWCGIVJUSAM-STQMWFEESA-N 2 0 296.846 2.562 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1Cl ZINC000334858740 524784184 /nfs/dbraw/zinc/78/41/84/524784184.db2.gz UPJWDYSXZHMZGB-FZMZJTMJSA-N 2 0 252.789 2.736 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000157108510 524848794 /nfs/dbraw/zinc/84/87/94/524848794.db2.gz XEZIYWDJPUIZKA-HNNXBMFYSA-N 2 0 252.377 2.939 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000157086916 524850648 /nfs/dbraw/zinc/85/06/48/524850648.db2.gz KAELCGCRBFZKOO-OLZOCXBDSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000310164369 524887490 /nfs/dbraw/zinc/88/74/90/524887490.db2.gz RYAPZAAVORVJJD-LLVKDONJSA-N 2 0 254.805 2.936 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000360835923 524900779 /nfs/dbraw/zinc/90/07/79/524900779.db2.gz POIUYVMJPWVUFH-PBHICJAKSA-N 2 0 298.434 2.517 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000361175482 524902482 /nfs/dbraw/zinc/90/24/82/524902482.db2.gz OHJWCHLQAGLSBR-CHWSQXEVSA-N 2 0 295.496 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000360835925 524902651 /nfs/dbraw/zinc/90/26/51/524902651.db2.gz POIUYVMJPWVUFH-RHSMWYFYSA-N 2 0 298.434 2.517 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000361347142 524903104 /nfs/dbraw/zinc/90/31/04/524903104.db2.gz SKFLNJZNTLEZSI-CZUORRHYSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000367711351 524915910 /nfs/dbraw/zinc/91/59/10/524915910.db2.gz BUXPCUJOKXHKIO-OAGGEKHMSA-N 2 0 287.451 2.822 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361927676 524973275 /nfs/dbraw/zinc/97/32/75/524973275.db2.gz UGDNEKORSIMBBH-CZUORRHYSA-N 2 0 264.388 2.606 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000334801892 524993427 /nfs/dbraw/zinc/99/34/27/524993427.db2.gz PVVBQYNYGFVVEW-BZNIZROVSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339406930 525023655 /nfs/dbraw/zinc/02/36/55/525023655.db2.gz ICRGSNINLIXUBO-CABCVRRESA-N 2 0 262.397 2.515 20 0 CFADRP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2[nH+]1 ZINC000316716330 525274979 /nfs/dbraw/zinc/27/49/79/525274979.db2.gz DUWOLYQHQOMLJN-LSDHHAIUSA-N 2 0 297.402 2.818 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370623979 525615784 /nfs/dbraw/zinc/61/57/84/525615784.db2.gz FDLFEPTYPHLOAP-KBPBESRZSA-N 2 0 293.480 2.567 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370623980 525683245 /nfs/dbraw/zinc/68/32/45/525683245.db2.gz FDLFEPTYPHLOAP-KGLIPLIRSA-N 2 0 293.480 2.567 20 0 CFADRP C[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCO1 ZINC000167018608 525846687 /nfs/dbraw/zinc/84/66/87/525846687.db2.gz LKYBMCDWZBKSOB-KRWDZBQOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980925 526063266 /nfs/dbraw/zinc/06/32/66/526063266.db2.gz QZCADKVYXUGZJZ-UKRRQHHQSA-N 2 0 292.398 2.574 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000193136269 526222956 /nfs/dbraw/zinc/22/29/56/526222956.db2.gz ZPWDXZXZWSKZPY-HLLBOEOZSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158700394 526259566 /nfs/dbraw/zinc/25/95/66/526259566.db2.gz ZGQHQKDEUSLZPR-MLHJIOFPSA-N 2 0 294.483 2.998 20 0 CFADRP Fc1ccccc1[C@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335029475 526418477 /nfs/dbraw/zinc/41/84/77/526418477.db2.gz MVMJSUXJBZREBT-GXTWGEPZSA-N 2 0 262.372 2.803 20 0 CFADRP c1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)nc1 ZINC000367712695 526462061 /nfs/dbraw/zinc/46/20/61/526462061.db2.gz MLNYFIKSWLDNJF-HOTGVXAUSA-N 2 0 285.435 2.720 20 0 CFADRP c1ccc2sc(C[NH+]3CCC4(CC[NH2+]C4)CC3)nc2c1 ZINC000336127213 526520984 /nfs/dbraw/zinc/52/09/84/526520984.db2.gz POIGWTWYXZOVRX-UHFFFAOYSA-N 2 0 287.432 2.872 20 0 CFADRP Cc1nocc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000339257936 526690253 /nfs/dbraw/zinc/69/02/53/526690253.db2.gz PLNWVOZRSYHKBJ-UHFFFAOYSA-N 2 0 265.401 2.729 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000334856162 526788924 /nfs/dbraw/zinc/78/89/24/526788924.db2.gz GTJSYLHXYLTPJV-NHYWBVRUSA-N 2 0 258.365 2.829 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000334979890 527000711 /nfs/dbraw/zinc/00/07/11/527000711.db2.gz JZGCPKGYXKDJOX-STQMWFEESA-N 2 0 279.815 2.557 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420364145 527084311 /nfs/dbraw/zinc/08/43/11/527084311.db2.gz CRBDWNCSKAGYBM-ZFWWWQNUSA-N 2 0 289.423 2.685 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)cc2s1 ZINC000334839799 527140510 /nfs/dbraw/zinc/14/05/10/527140510.db2.gz BDTFPGVZMUSOQQ-MFKMUULPSA-N 2 0 275.421 2.692 20 0 CFADRP Cc1nc2ccccn2c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334789784 527178447 /nfs/dbraw/zinc/17/84/47/527178447.db2.gz CJJUWBDYAPRNMN-MRXNPFEDSA-N 2 0 298.434 2.607 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000062712469 527181548 /nfs/dbraw/zinc/18/15/48/527181548.db2.gz MRLSGUFTPKIPMA-GFCCVEGCSA-N 2 0 299.212 2.601 20 0 CFADRP [NH3+]CCCOC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000336819534 527182219 /nfs/dbraw/zinc/18/22/19/527182219.db2.gz OSLCIRCENLKKCP-ZDUSSCGKSA-N 2 0 290.398 2.642 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339407355 527192355 /nfs/dbraw/zinc/19/23/55/527192355.db2.gz JTRFVOWHINHETI-INIZCTEOSA-N 2 0 276.424 2.906 20 0 CFADRP Cc1[nH+]ccc(NCC[NH+]2CCCCC2)c1Cl ZINC000310325676 527351725 /nfs/dbraw/zinc/35/17/25/527351725.db2.gz AMFYEUFVANBDNB-UHFFFAOYSA-N 2 0 253.777 2.941 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@H]21 ZINC000339413681 527354033 /nfs/dbraw/zinc/35/40/33/527354033.db2.gz ZFCOHNXIBNBKFH-KBAYOESNSA-N 2 0 288.435 2.905 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccccc2)c2ccccc21 ZINC000157426603 527375889 /nfs/dbraw/zinc/37/58/89/527375889.db2.gz YLLUHMHYOJBJGO-IAGOWNOFSA-N 2 0 268.360 2.800 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335023230 527394914 /nfs/dbraw/zinc/39/49/14/527394914.db2.gz PPLHKWNPHIDDSD-RDJZCZTQSA-N 2 0 269.392 2.984 20 0 CFADRP Cn1cccc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000360095045 527397122 /nfs/dbraw/zinc/39/71/22/527397122.db2.gz DJIGPFXQGSQBSW-BBRMVZONSA-N 2 0 289.448 2.869 20 0 CFADRP Nc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000334971430 527517337 /nfs/dbraw/zinc/51/73/37/527517337.db2.gz WGSSNLHCHZIEHO-QAPCUYQASA-N 2 0 285.435 2.718 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228408721 527687026 /nfs/dbraw/zinc/68/70/26/527687026.db2.gz PMVOESFXVPMHQX-UHFFFAOYSA-N 2 0 272.314 2.937 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCC1 ZINC000422871973 527695136 /nfs/dbraw/zinc/69/51/36/527695136.db2.gz FCJWDSOFTJAEDU-RBSFLKMASA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCCC1 ZINC000422867073 527695392 /nfs/dbraw/zinc/69/53/92/527695392.db2.gz RNMFNKVLPMPXPW-BZUAXINKSA-N 2 0 282.472 2.935 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC23CC3)CC1 ZINC000418101815 527711662 /nfs/dbraw/zinc/71/16/62/527711662.db2.gz TYFXYLHPHHCTQY-QGZVFWFLSA-N 2 0 299.462 2.718 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422839462 527725290 /nfs/dbraw/zinc/72/52/90/527725290.db2.gz QCRSIMGXQJQLGX-FUHWJXTLSA-N 3 0 295.515 2.865 20 0 CFADRP CCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCOCC1 ZINC000422806039 527754982 /nfs/dbraw/zinc/75/49/82/527754982.db2.gz HQMSRFCDTHPZOY-DOTOQJQBSA-N 2 0 290.451 2.741 20 0 CFADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423096810 527765874 /nfs/dbraw/zinc/76/58/74/527765874.db2.gz PYOXADZVPQDLSV-HZPDHXFCSA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423096031 527768045 /nfs/dbraw/zinc/76/80/45/527768045.db2.gz NTNLACMCXXHMHT-YLFCFFPRSA-N 2 0 282.472 2.948 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2([NH3+])CCC2)C[C@@H]1OCc1ccccc1 ZINC000423315017 527828452 /nfs/dbraw/zinc/82/84/52/527828452.db2.gz AEIFMQMXWYDKGR-HOTGVXAUSA-N 2 0 288.435 2.841 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000422800417 527831656 /nfs/dbraw/zinc/83/16/56/527831656.db2.gz BOUXSOWAFGTHMX-GZNJTBKBSA-N 2 0 278.440 2.597 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000422800096 527844490 /nfs/dbraw/zinc/84/44/90/527844490.db2.gz ASYYEUXBCRNOCF-CAOSSQGBSA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccoc1 ZINC000423188252 527847082 /nfs/dbraw/zinc/84/70/82/527847082.db2.gz PXFADVNJWAVSKY-KRWDZBQOSA-N 2 0 293.455 2.642 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])C[C@@H]1Oc1ccccc1 ZINC000423338098 527868758 /nfs/dbraw/zinc/86/87/58/527868758.db2.gz VQYBKYSSRNFURL-CABCVRRESA-N 2 0 262.397 2.561 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)[C@@H](C)C1 ZINC000414263567 527879183 /nfs/dbraw/zinc/87/91/83/527879183.db2.gz KEMSJRWOLPOYGM-ZFWWWQNUSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C12CCCCC2 ZINC000423267711 527940743 /nfs/dbraw/zinc/94/07/43/527940743.db2.gz FPAFNESULLSWST-SOUVJXGZSA-N 2 0 268.445 2.687 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(CC)CC ZINC000422840370 527949699 /nfs/dbraw/zinc/94/96/99/527949699.db2.gz SQTQLGHGMAITPQ-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423141917 528000962 /nfs/dbraw/zinc/00/09/62/528000962.db2.gz SJEJHISYPWQSCP-LUKYLMHMSA-N 2 0 281.488 2.617 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423125606 528001223 /nfs/dbraw/zinc/00/12/23/528001223.db2.gz AKJRFELAMASNSA-XKQJLSEDSA-N 2 0 275.440 2.841 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177275586 528049445 /nfs/dbraw/zinc/04/94/45/528049445.db2.gz UONHBLLTQIAXAP-ARFHVFGLSA-N 2 0 282.472 2.996 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422811546 528050998 /nfs/dbraw/zinc/05/09/98/528050998.db2.gz PDMVQNZCEAYNEY-QLFBSQMISA-N 2 0 256.434 2.558 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[C@H]1SC ZINC000425364705 528060247 /nfs/dbraw/zinc/06/02/47/528060247.db2.gz ZQVHNJMLWOAKEF-UONOGXRCSA-N 2 0 258.475 2.982 20 0 CFADRP CC(C)COC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414693936 528079672 /nfs/dbraw/zinc/07/96/72/528079672.db2.gz SCPRNNUXSXGVCU-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423243070 528133565 /nfs/dbraw/zinc/13/35/65/528133565.db2.gz MRMLCGZOMNTOQR-YOEHRIQHSA-N 2 0 277.456 2.917 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000352843655 528144685 /nfs/dbraw/zinc/14/46/85/528144685.db2.gz BJRXSCVAWSRWFK-SZMVWBNQSA-N 2 0 294.483 2.661 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC000414825488 528145196 /nfs/dbraw/zinc/14/51/96/528145196.db2.gz CHQYPJWICOZXMU-FHLIZLRMSA-N 2 0 289.467 2.930 20 0 CFADRP CC(C)COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414784313 528154964 /nfs/dbraw/zinc/15/49/64/528154964.db2.gz HCLJAYSBQWYIKZ-UHFFFAOYSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423226635 528203580 /nfs/dbraw/zinc/20/35/80/528203580.db2.gz RODGVPREHHPJAL-QWHCGFSZSA-N 2 0 250.386 2.862 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422957077 528205191 /nfs/dbraw/zinc/20/51/91/528205191.db2.gz MHZJTAYVXLFWCL-HUUCEWRRSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414835470 528226686 /nfs/dbraw/zinc/22/66/86/528226686.db2.gz UEZGTHYNGJXIEI-HNNXBMFYSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)c1csc(C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000422895803 528234367 /nfs/dbraw/zinc/23/43/67/528234367.db2.gz WTBXJSVORCLSBL-UHFFFAOYSA-N 2 0 267.442 2.874 20 0 CFADRP CCCCCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414892325 528236338 /nfs/dbraw/zinc/23/63/38/528236338.db2.gz WWBUSZMACPVVMB-CQSZACIVSA-N 2 0 264.413 2.940 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422712751 528256190 /nfs/dbraw/zinc/25/61/90/528256190.db2.gz IUZPTWUSGIWZAP-GOEBONIOSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422712752 528257323 /nfs/dbraw/zinc/25/73/23/528257323.db2.gz IUZPTWUSGIWZAP-HOCLYGCPSA-N 2 0 276.424 2.952 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OCC(C)C ZINC000414881934 528280100 /nfs/dbraw/zinc/28/01/00/528280100.db2.gz LITOKCKZBZINGV-AWEZNQCLSA-N 2 0 294.439 2.947 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967686 528281189 /nfs/dbraw/zinc/28/11/89/528281189.db2.gz CGBVAXFSIRDUQB-BZUAXINKSA-N 2 0 293.455 2.783 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1OC ZINC000414804216 528282404 /nfs/dbraw/zinc/28/24/04/528282404.db2.gz OJWMBXZOTKUIJT-LSDHHAIUSA-N 2 0 292.423 2.701 20 0 CFADRP CC(C)c1nnc(CC[NH2+]C2CC[NH+](C(C)C)CC2)s1 ZINC000426288918 528420860 /nfs/dbraw/zinc/42/08/60/528420860.db2.gz KXSOPHIOZJBKPI-UHFFFAOYSA-N 2 0 296.484 2.666 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237604 528437427 /nfs/dbraw/zinc/43/74/27/528437427.db2.gz QAFYLNOOPYRLRP-IAGOWNOFSA-N 2 0 260.425 2.985 20 0 CFADRP CCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177484142 528454230 /nfs/dbraw/zinc/45/42/30/528454230.db2.gz RLGUGFFNDDZJBM-IYBDPMFKSA-N 2 0 282.472 2.998 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000415082578 528457380 /nfs/dbraw/zinc/45/73/80/528457380.db2.gz LZOHRESMXRAPRH-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP CCN(CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422778736 528458502 /nfs/dbraw/zinc/45/85/02/528458502.db2.gz DXWAOAWNIVNZMQ-DOTOQJQBSA-N 2 0 275.440 2.633 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414857645 528460264 /nfs/dbraw/zinc/46/02/64/528460264.db2.gz PWKJBZQAJLGRLB-ZFWWWQNUSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414858533 528461086 /nfs/dbraw/zinc/46/10/86/528461086.db2.gz RWWUWCQERKEUBS-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000414807122 528461096 /nfs/dbraw/zinc/46/10/96/528461096.db2.gz QVDVSTNKUMZTNZ-DZGCQCFKSA-N 2 0 280.387 2.832 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423269671 528520084 /nfs/dbraw/zinc/52/00/84/528520084.db2.gz WDKPQLBDZZQAOI-KSZLIROESA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+]CCCCCOc1ccccc1 ZINC000414800264 528529639 /nfs/dbraw/zinc/52/96/39/528529639.db2.gz SAMNDGKRUCMDRA-INIZCTEOSA-N 2 0 264.413 2.809 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423263865 528536235 /nfs/dbraw/zinc/53/62/35/528536235.db2.gz BGURWCLOSSJVNC-DLBZAZTESA-N 2 0 278.440 2.801 20 0 CFADRP CC(C)C[C@H]([NH3+])CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414697745 528555023 /nfs/dbraw/zinc/55/50/23/528555023.db2.gz CWBWODVHLQPORC-KRWDZBQOSA-N 2 0 291.483 2.860 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cn1 ZINC000423257496 528575111 /nfs/dbraw/zinc/57/51/11/528575111.db2.gz JSWCFMDRYYLBLO-ZIAGYGMSSA-N 2 0 264.417 2.504 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000423274368 528578851 /nfs/dbraw/zinc/57/88/51/528578851.db2.gz KFFIZDQKALVZPM-KCQAQPDRSA-N 2 0 264.417 2.632 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000420300404 528586980 /nfs/dbraw/zinc/58/69/80/528586980.db2.gz KHHDLIMJZOTDAG-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422765187 528599072 /nfs/dbraw/zinc/59/90/72/528599072.db2.gz KPYNHAOFZWXYAH-CXAGYDPISA-N 2 0 292.423 2.872 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1OCC ZINC000423299658 528606889 /nfs/dbraw/zinc/60/68/89/528606889.db2.gz QJFUSRSVXBMAAT-OLZOCXBDSA-N 2 0 280.412 2.729 20 0 CFADRP CCCO[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414691870 528609628 /nfs/dbraw/zinc/60/96/28/528609628.db2.gz JZTNNOOFFAEWOK-GJZGRUSLSA-N 2 0 256.434 2.641 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C[C@@H](C)CC)CC[NH2+]CC1 ZINC000422919187 528613224 /nfs/dbraw/zinc/61/32/24/528613224.db2.gz JSYZSBYWVLWLLC-KKUMJFAQSA-N 2 0 298.471 2.722 20 0 CFADRP CCOC(=O)C1CCC([NH2+]CC2([NH3+])CCCCCC2)CC1 ZINC000414858589 528626656 /nfs/dbraw/zinc/62/66/56/528626656.db2.gz KCYJPDPQCKWZGK-UHFFFAOYSA-N 2 0 296.455 2.750 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423265209 528637177 /nfs/dbraw/zinc/63/71/77/528637177.db2.gz ZPNZCVNQDBOULE-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000422820838 528643364 /nfs/dbraw/zinc/64/33/64/528643364.db2.gz SNLWMRFBDZJTOH-ZQDZILKHSA-N 2 0 268.445 2.687 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422805436 528646241 /nfs/dbraw/zinc/64/62/41/528646241.db2.gz GTXPANYSSSDWOI-HZPDHXFCSA-N 2 0 276.424 2.910 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422805437 528646311 /nfs/dbraw/zinc/64/63/11/528646311.db2.gz GTXPANYSSSDWOI-JKSUJKDBSA-N 2 0 276.424 2.910 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000422815261 528651855 /nfs/dbraw/zinc/65/18/55/528651855.db2.gz BCSWASDOGMWHBK-WUCCLRPBSA-N 2 0 268.445 2.830 20 0 CFADRP CCCc1csc(C[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000414830190 528670503 /nfs/dbraw/zinc/67/05/03/528670503.db2.gz BXYPHMKQDVYYKR-GFCCVEGCSA-N 2 0 267.442 2.575 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414807912 528670948 /nfs/dbraw/zinc/67/09/48/528670948.db2.gz RSRJBOVAVMJMNR-JSGCOSHPSA-N 2 0 281.469 2.949 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414921810 528671163 /nfs/dbraw/zinc/67/11/63/528671163.db2.gz FZFPOPPCJDBIRY-RYUDHWBXSA-N 2 0 267.442 2.701 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1OC ZINC000414794804 528691562 /nfs/dbraw/zinc/69/15/62/528691562.db2.gz MFMAVORPAMXTNK-GJZGRUSLSA-N 2 0 292.423 2.701 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC ZINC000422892096 528724825 /nfs/dbraw/zinc/72/48/25/528724825.db2.gz MCCCUAVEGBNCQK-STQMWFEESA-N 2 0 292.423 2.743 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407029 528764979 /nfs/dbraw/zinc/76/49/79/528764979.db2.gz LOVMOQOCMOYBMZ-CABCVRRESA-N 2 0 270.461 2.807 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423155493 528779836 /nfs/dbraw/zinc/77/98/36/528779836.db2.gz QMLAODZYXRTOPJ-KNIAUWFNSA-N 2 0 268.445 2.545 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414714966 528793897 /nfs/dbraw/zinc/79/38/97/528793897.db2.gz WVUCSWCCVHKIGO-HOCLYGCPSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422859012 528836235 /nfs/dbraw/zinc/83/62/35/528836235.db2.gz JIPSKEPWSMSRDJ-CRAIPNDOSA-N 2 0 289.467 2.614 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000414807472 528843053 /nfs/dbraw/zinc/84/30/53/528843053.db2.gz RAQQWDUNRSXNMF-JKSUJKDBSA-N 2 0 290.455 2.533 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCC1 ZINC000422815475 528857211 /nfs/dbraw/zinc/85/72/11/528857211.db2.gz BWIKULHHJSAXAZ-NJAFHUGGSA-N 2 0 295.515 2.865 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422783132 528908169 /nfs/dbraw/zinc/90/81/69/528908169.db2.gz MSZNJGPIXGTLLE-HRCADAONSA-N 2 0 280.456 2.702 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423209147 528925666 /nfs/dbraw/zinc/92/56/66/528925666.db2.gz ZSIPJZJFVMNHNE-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414807195 528951741 /nfs/dbraw/zinc/95/17/41/528951741.db2.gz IRCPFWIVXGJWFL-HZPDHXFCSA-N 2 0 275.440 2.587 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414815339 528954076 /nfs/dbraw/zinc/95/40/76/528954076.db2.gz XGHHYZHSINFSAT-AWEZNQCLSA-N 2 0 276.424 2.660 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCCCCC1 ZINC000422963285 529017261 /nfs/dbraw/zinc/01/72/61/529017261.db2.gz IDGPTRSRGNJLOB-BZSNNMDCSA-N 2 0 295.515 2.865 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422739773 529024223 /nfs/dbraw/zinc/02/42/23/529024223.db2.gz LUFYIBVKDBEQSU-ZTFGCOKTSA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)C[NH3+] ZINC000423299693 529031335 /nfs/dbraw/zinc/03/13/35/529031335.db2.gz QLEPWLKCTKGOCY-DOMZBBRYSA-N 2 0 252.377 2.577 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422827147 529043519 /nfs/dbraw/zinc/04/35/19/529043519.db2.gz DFRLQFBWYYLYBP-SJORKVTESA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423275666 529067863 /nfs/dbraw/zinc/06/78/63/529067863.db2.gz NHTJFAJMFDWKND-AVVWSFFYSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423265295 529068548 /nfs/dbraw/zinc/06/85/48/529068548.db2.gz CSXTVERZEXSPGT-XHDPSFHLSA-N 2 0 270.367 2.859 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423270615 529071083 /nfs/dbraw/zinc/07/10/83/529071083.db2.gz IEWQQXWVZKGDQM-OAGGEKHMSA-N 2 0 276.424 2.805 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414798314 529072493 /nfs/dbraw/zinc/07/24/93/529072493.db2.gz QDEWUDGWMJFXEK-IXDOHACOSA-N 2 0 260.425 2.971 20 0 CFADRP CCC1(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCOCC1 ZINC000414779586 529117288 /nfs/dbraw/zinc/11/72/88/529117288.db2.gz KLRVZQCLZOYJLB-JKSUJKDBSA-N 2 0 280.456 2.515 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)c(F)c1 ZINC000423299592 529121956 /nfs/dbraw/zinc/12/19/56/529121956.db2.gz BYMXNYJIVLQOCO-HZMBPMFUSA-N 2 0 256.340 2.846 20 0 CFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423320762 529138279 /nfs/dbraw/zinc/13/82/79/529138279.db2.gz DRVSONMRLKZJST-ZDUSSCGKSA-N 2 0 292.427 2.606 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423342354 529157958 /nfs/dbraw/zinc/15/79/58/529157958.db2.gz KVJLHMSWBAWHSG-OAHLLOKOSA-N 2 0 266.335 2.925 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OC)c1 ZINC000423347568 529158559 /nfs/dbraw/zinc/15/85/59/529158559.db2.gz QPZXZQBYAHQIEV-MRXNPFEDSA-N 2 0 260.381 2.656 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000422699190 529169161 /nfs/dbraw/zinc/16/91/61/529169161.db2.gz CLMAIMLBAFUUCK-SJORKVTESA-N 2 0 260.425 2.966 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423251927 529169218 /nfs/dbraw/zinc/16/92/18/529169218.db2.gz SOTKGZHQRNENFY-IUODEOHRSA-N 2 0 250.361 2.866 20 0 CFADRP CCc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420335625 529169780 /nfs/dbraw/zinc/16/97/80/529169780.db2.gz LTYQCTJVOMAAPG-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423214884 529175635 /nfs/dbraw/zinc/17/56/35/529175635.db2.gz PVFYLWPGRJHBMV-CZUORRHYSA-N 2 0 262.397 2.736 20 0 CFADRP CCSCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423111755 529178115 /nfs/dbraw/zinc/17/81/15/529178115.db2.gz JDQJOEMUNQXINF-DZGCQCFKSA-N 2 0 266.454 2.678 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1c(C)nn(C)c1C ZINC000422798443 529205016 /nfs/dbraw/zinc/20/50/16/529205016.db2.gz RCIZBZIUCIPBKB-BXUZGUMPSA-N 2 0 266.433 2.595 20 0 CFADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(F)cc1F ZINC000422761267 529206540 /nfs/dbraw/zinc/20/65/40/529206540.db2.gz LSLZKBSESJGLEQ-IUODEOHRSA-N 2 0 286.366 2.759 20 0 CFADRP CCSc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414783214 529252430 /nfs/dbraw/zinc/25/24/30/529252430.db2.gz QCWUQSVNDRZZJC-UHFFFAOYSA-N 2 0 250.411 2.640 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(C)c1 ZINC000422917864 529368139 /nfs/dbraw/zinc/36/81/39/529368139.db2.gz FVKLTRSPOPYZLU-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1ccccc1C ZINC000422922914 529368828 /nfs/dbraw/zinc/36/88/28/529368828.db2.gz UQPVPHOQTBLLQK-ARFHVFGLSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422965619 529369412 /nfs/dbraw/zinc/36/94/12/529369412.db2.gz OZDIACNPFFFHPE-VSZNYVQBSA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422965620 529369865 /nfs/dbraw/zinc/36/98/65/529369865.db2.gz OZDIACNPFFFHPE-XMTFNYHQSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)n1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)nn1 ZINC000342092189 535061649 /nfs/dbraw/zinc/06/16/49/535061649.db2.gz WGJLBUHQDYMROW-OAHLLOKOSA-N 2 0 293.459 2.603 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)C1 ZINC000452112496 535224497 /nfs/dbraw/zinc/22/44/97/535224497.db2.gz GEOHXARTUDLCLB-GOSISDBHSA-N 2 0 289.467 2.533 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000450261516 535496616 /nfs/dbraw/zinc/49/66/16/535496616.db2.gz IKSJXOFBRMZWRS-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CCOCCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268735441 535550086 /nfs/dbraw/zinc/55/00/86/535550086.db2.gz NPJQKCPGBZFLKI-HNNXBMFYSA-N 2 0 294.439 2.704 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc(C)c2)CC1 ZINC000449744993 535674255 /nfs/dbraw/zinc/67/42/55/535674255.db2.gz KSAQIDSACKLMSX-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP CCC[C@H]([NH2+]CCOCC[NH+](C)C)C1CCCCC1 ZINC000447594413 535705240 /nfs/dbraw/zinc/70/52/40/535705240.db2.gz YQYBUMVIPSHZQE-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447533529 535729985 /nfs/dbraw/zinc/72/99/85/535729985.db2.gz YAOKQMQWQVZMIH-ZFWWWQNUSA-N 2 0 293.455 2.573 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443062266 535904976 /nfs/dbraw/zinc/90/49/76/535904976.db2.gz UEZZMPJEUJAVMZ-INIZCTEOSA-N 2 0 276.424 2.689 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)[C@](C)([NH3+])c2ccccc2)c1 ZINC000237060617 536040860 /nfs/dbraw/zinc/04/08/60/536040860.db2.gz KICTZZOHLZLXLO-GOSISDBHSA-N 2 0 297.402 2.561 20 0 CFADRP CCc1cc(NC2CC[NH+](C3CCCC3)CC2)cc[nH+]1 ZINC000450370372 536089545 /nfs/dbraw/zinc/08/95/45/536089545.db2.gz XTGGIBGBTKFKRH-UHFFFAOYSA-N 2 0 273.424 2.885 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000435368616 536519783 /nfs/dbraw/zinc/51/97/83/536519783.db2.gz BTCKWAYQOBZWJL-GZBFAFLISA-N 2 0 294.414 2.682 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000459740261 536891159 /nfs/dbraw/zinc/89/11/59/536891159.db2.gz TZWCGGRLAXIGIA-ZDUSSCGKSA-N 2 0 280.387 2.656 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000568162087 545568603 /nfs/dbraw/zinc/56/86/03/545568603.db2.gz NYQMIESSDCOONC-OLZOCXBDSA-N 2 0 280.437 2.599 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666855321 545558751 /nfs/dbraw/zinc/55/87/51/545558751.db2.gz LVAZLTOILCTCCJ-OAHLLOKOSA-N 2 0 262.397 2.706 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754786325 574131191 /nfs/dbraw/zinc/13/11/91/574131191.db2.gz QEJQSVKVZIBZQP-GJZGRUSLSA-N 2 0 292.398 2.811 20 0 CFADRP C[NH+](C)C1(CNC(=O)CCCCCC[NH3+])CCCCCC1 ZINC000746296242 574143406 /nfs/dbraw/zinc/14/34/06/574143406.db2.gz WYYOZGZZQDQYHX-UHFFFAOYSA-N 2 0 297.487 2.666 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccccc2C)C1 ZINC000747960700 574222089 /nfs/dbraw/zinc/22/20/89/574222089.db2.gz HUNHMFBJWRJDSG-SJLPKXTDSA-N 2 0 290.451 2.692 20 0 CFADRP CC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000725795729 574309844 /nfs/dbraw/zinc/30/98/44/574309844.db2.gz TZDMBOCQVMYPGN-UHFFFAOYSA-N 2 0 266.429 2.554 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C1CC[NH+](C)CC1 ZINC000396445386 574355109 /nfs/dbraw/zinc/35/51/09/574355109.db2.gz DHXQWACDBWPDKB-XZDPQHSOSA-N 2 0 280.456 2.510 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000396469352 574355587 /nfs/dbraw/zinc/35/55/87/574355587.db2.gz WHAUFXIHWCAFJN-VNQPRFMTSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000752114843 574388216 /nfs/dbraw/zinc/38/82/16/574388216.db2.gz OCWMRQLBKDRFPF-LJQANCHMSA-N 2 0 298.430 2.756 20 0 CFADRP C[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)C1CCOCC1 ZINC000904361172 621582677 /nfs/dbraw/zinc/58/26/77/621582677.db2.gz WZXGGNWZPYTEFF-GXTWGEPZSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252716235 617617325 /nfs/dbraw/zinc/61/73/25/617617325.db2.gz XYXDEQAGJXBTNB-COXVUDFISA-N 2 0 276.399 2.973 20 0 CFADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092278565 617632698 /nfs/dbraw/zinc/63/26/98/617632698.db2.gz PPAKGLGMOOYCQI-HNNXBMFYSA-N 2 0 294.487 2.591 20 0 CFADRP CC(C)CCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000891505040 617640331 /nfs/dbraw/zinc/64/03/31/617640331.db2.gz DXZCHJYMDOGLRI-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000891625516 617690052 /nfs/dbraw/zinc/69/00/52/617690052.db2.gz BYJCPMUSHKTGEL-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC000933732847 617761308 /nfs/dbraw/zinc/76/13/08/617761308.db2.gz CMKKKDHGIBZCTJ-JZXOWHBKSA-N 2 0 270.420 2.600 20 0 CFADRP CC(C)(CN[C@H]1CCC[N@@H+]2CCCC[C@H]12)C[NH+]1CCCC1 ZINC000926275304 617796200 /nfs/dbraw/zinc/79/62/00/617796200.db2.gz OEJCIVSURCTYDD-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000891915644 617824758 /nfs/dbraw/zinc/82/47/58/617824758.db2.gz DHJDJIAAPQUDKL-SFHVURJKSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926326625 617902780 /nfs/dbraw/zinc/90/27/80/617902780.db2.gz RYYYTVVCTMRLTP-NVXWUHKLSA-N 2 0 290.451 2.505 20 0 CFADRP CC1CCC([NH+]2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC000892041102 617923254 /nfs/dbraw/zinc/92/32/54/617923254.db2.gz DOJPPQJXNJCENJ-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(O)c(F)c2)C[C@H]1C ZINC000892102144 617949574 /nfs/dbraw/zinc/94/95/74/617949574.db2.gz CMSLWXJQFUOOCV-TZMCWYRMSA-N 2 0 280.387 2.836 20 0 CFADRP COc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(C)c1 ZINC000892105030 617952751 /nfs/dbraw/zinc/95/27/51/617952751.db2.gz HOMCIHOKMDULKO-GDBMZVCRSA-N 2 0 276.424 2.918 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]2c2cccc(F)c2)CC1 ZINC000892132938 617966549 /nfs/dbraw/zinc/96/65/49/617966549.db2.gz CFNHHBXSXBNHJM-INIZCTEOSA-N 2 0 262.372 2.914 20 0 CFADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047971545 618039451 /nfs/dbraw/zinc/03/94/51/618039451.db2.gz FQPPYWKQHFKVDG-SFHVURJKSA-N 2 0 288.435 2.528 20 0 CFADRP CN(CCNC(=[NH2+])Nc1ccccc1)Cc1ccccc1 ZINC000303255563 618061580 /nfs/dbraw/zinc/06/15/80/618061580.db2.gz GQHSOYRJKFXEPB-UHFFFAOYSA-N 2 0 282.391 2.755 20 0 CFADRP COc1ccc2[nH+]ccc(N3CCC[C@@H]([NH+](C)C)C3)c2c1 ZINC000892288088 618091672 /nfs/dbraw/zinc/09/16/72/618091672.db2.gz FGDVPULSXSGZBW-CYBMUJFWSA-N 2 0 285.391 2.774 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934840384 618145989 /nfs/dbraw/zinc/14/59/89/618145989.db2.gz CAXXBURWTLEBIZ-KZNAEPCWSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H](CCCO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926507838 618164885 /nfs/dbraw/zinc/16/48/85/618164885.db2.gz LWHQCKRTTVRCAD-GJZGRUSLSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)CO)c1cccc(C[NH+](C)C)c1 ZINC000926509387 618165666 /nfs/dbraw/zinc/16/56/66/618165666.db2.gz ZBOJUWSQZVGHOK-AWEZNQCLSA-N 2 0 278.440 2.807 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@H](C)O ZINC000926525019 618179954 /nfs/dbraw/zinc/17/99/54/618179954.db2.gz IBZDROWZDGXYGD-XEZPLFJOSA-N 2 0 264.413 2.558 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000926545143 618193453 /nfs/dbraw/zinc/19/34/53/618193453.db2.gz UHBNAGAYBHBKNW-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000308399972 618201229 /nfs/dbraw/zinc/20/12/29/618201229.db2.gz VTFWTQOSMWNKBR-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP COCc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091844351 618202480 /nfs/dbraw/zinc/20/24/80/618202480.db2.gz CMJSRSBPNAIJOG-UHFFFAOYSA-N 2 0 262.397 2.535 20 0 CFADRP C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CCC([NH3+])CC1 ZINC000091844443 618202509 /nfs/dbraw/zinc/20/25/09/618202509.db2.gz QLJDOIJKDMDYJS-UHFFFAOYSA-N 2 0 272.314 2.806 20 0 CFADRP Cc1ccc(NCC2CC[NH+](C)CC2)c(C[NH+](C)C)c1 ZINC000892374858 618204285 /nfs/dbraw/zinc/20/42/85/618204285.db2.gz FSIDJYRQGUZAMU-UHFFFAOYSA-N 2 0 275.440 2.810 20 0 CFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)O2 ZINC000250837350 618209940 /nfs/dbraw/zinc/20/99/40/618209940.db2.gz CDIKIBCXPOVYEL-YYIAUSFCSA-N 2 0 286.419 2.500 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000309599435 618212233 /nfs/dbraw/zinc/21/22/33/618212233.db2.gz XGHMIDXNMWBNEQ-SNVBAGLBSA-N 2 0 265.228 2.644 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926564528 618212998 /nfs/dbraw/zinc/21/29/98/618212998.db2.gz VFJCZDKNAHOIII-IYBDPMFKSA-N 2 0 268.445 2.654 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000235227115 618214685 /nfs/dbraw/zinc/21/46/85/618214685.db2.gz FWKRTUCRTUWTEL-GDBMZVCRSA-N 2 0 291.464 2.924 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)ccc12 ZINC000926568183 618214742 /nfs/dbraw/zinc/21/47/42/618214742.db2.gz QGMUPALPHYERDS-BJJXKVORSA-N 2 0 253.349 2.779 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000926571714 618216375 /nfs/dbraw/zinc/21/63/75/618216375.db2.gz ASEKRMFIACUUDC-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000926571713 618216472 /nfs/dbraw/zinc/21/64/72/618216472.db2.gz ASEKRMFIACUUDC-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc[nH]c(=O)c1 ZINC000926168658 618221759 /nfs/dbraw/zinc/22/17/59/618221759.db2.gz VXFNMNNTZIHWLC-ZDUSSCGKSA-N 2 0 277.412 2.560 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000893958559 618253035 /nfs/dbraw/zinc/25/30/35/618253035.db2.gz CAJWPFRCYZMAFM-GOSISDBHSA-N 2 0 290.451 2.518 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CCCCO1 ZINC000925578881 618262732 /nfs/dbraw/zinc/26/27/32/618262732.db2.gz BSELRCFOCITGAV-FXUDXRNXSA-N 2 0 294.483 2.948 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)Oc1ccccc1 ZINC000925604392 618292126 /nfs/dbraw/zinc/29/21/26/618292126.db2.gz YCGYNCCRYWXUKA-RBSFLKMASA-N 2 0 276.424 2.950 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925611362 618309945 /nfs/dbraw/zinc/30/99/45/618309945.db2.gz LQKKGUBYUJSEDP-ILXRZTDVSA-N 2 0 282.472 2.684 20 0 CFADRP C[C@H](C1CC1)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113194 618313649 /nfs/dbraw/zinc/31/36/49/618313649.db2.gz UZQWSBLRPRSNJT-BPLDGKMQSA-N 2 0 259.397 2.956 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC2)C12CCC2 ZINC000925614535 618314301 /nfs/dbraw/zinc/31/43/01/618314301.db2.gz CEVZFEBEGKKEFK-CVEARBPZSA-N 2 0 270.420 2.869 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000067452896 618322124 /nfs/dbraw/zinc/32/21/24/618322124.db2.gz CBPZDPDRWGNNCJ-HUUCEWRRSA-N 2 0 280.412 2.567 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000067452894 618322333 /nfs/dbraw/zinc/32/23/33/618322333.db2.gz CBPZDPDRWGNNCJ-GASCZTMLSA-N 2 0 280.412 2.567 20 0 CFADRP Cc1ccnc(N)c1CNc1cccc(C[NH+](C)C)c1 ZINC000894102651 618335469 /nfs/dbraw/zinc/33/54/69/618335469.db2.gz OKUXYNATKUDNCV-UHFFFAOYSA-N 2 0 270.380 2.646 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893320191 618336464 /nfs/dbraw/zinc/33/64/64/618336464.db2.gz PTWYJDZWXXCTSM-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925621696 618338154 /nfs/dbraw/zinc/33/81/54/618338154.db2.gz MDPHAHZKAJDXSZ-HIFRSBDPSA-N 2 0 281.488 2.745 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2)C12CCC2 ZINC000925625013 618348185 /nfs/dbraw/zinc/34/81/85/618348185.db2.gz FRKOZVJYHKKDSB-CABCVRRESA-N 2 0 294.826 2.716 20 0 CFADRP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925625858 618349618 /nfs/dbraw/zinc/34/96/18/618349618.db2.gz MBGDVRKUBJZDEN-OLZOCXBDSA-N 2 0 292.471 2.541 20 0 CFADRP C[C@H]([NH2+]CCCn1ccnc1)c1cnn(C2CCC2)c1 ZINC000924535273 618349735 /nfs/dbraw/zinc/34/97/35/618349735.db2.gz WGCBNEFENQQOKY-ZDUSSCGKSA-N 2 0 273.384 2.546 20 0 CFADRP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926644785 618352247 /nfs/dbraw/zinc/35/22/47/618352247.db2.gz ORXVCYSEOHXEJR-RDJZCZTQSA-N 2 0 284.488 2.884 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC1(OC)OC)C1CCCCC1 ZINC000926646736 618354467 /nfs/dbraw/zinc/35/44/67/618354467.db2.gz ACYHWGXKDHGDBO-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925629912 618357172 /nfs/dbraw/zinc/35/71/72/618357172.db2.gz MNROMKQNNWAGHZ-GLQYFDAESA-N 2 0 259.397 2.565 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCO1 ZINC000925631471 618360010 /nfs/dbraw/zinc/36/00/10/618360010.db2.gz ZLDBORQXIWPCTF-ZQPIRCLISA-N 2 0 292.467 2.556 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925631678 618360680 /nfs/dbraw/zinc/36/06/80/618360680.db2.gz WGJGSWKTXKBGGZ-BBRMVZONSA-N 2 0 276.424 2.604 20 0 CFADRP CC(=O)OC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000893327397 618363664 /nfs/dbraw/zinc/36/36/64/618363664.db2.gz IICFQGDKNHHMMK-CQSZACIVSA-N 2 0 292.423 2.568 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925635077 618367424 /nfs/dbraw/zinc/36/74/24/618367424.db2.gz MHBKIGRAKFYLJY-WCXIOVBPSA-N 2 0 280.456 2.559 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925649377 618399780 /nfs/dbraw/zinc/39/97/80/618399780.db2.gz JUOCYBWQEYGQTK-RAFNIBEQSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261778099 618427019 /nfs/dbraw/zinc/42/70/19/618427019.db2.gz FGYKVRIRRDDDNF-GJZGRUSLSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894181006 618430253 /nfs/dbraw/zinc/43/02/53/618430253.db2.gz NLCBRDLLKGSCJA-OAGGEKHMSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1ccc(-c2cc(CC[NH+]3CCC([NH3+])CC3)on2)cc1 ZINC000901399099 620806012 /nfs/dbraw/zinc/80/60/12/620806012.db2.gz ARELWWDJMHUOTO-UHFFFAOYSA-N 2 0 285.391 2.616 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925680805 618460802 /nfs/dbraw/zinc/46/08/02/618460802.db2.gz USKWKNYCDNDCGJ-BBWFWOEESA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C12CCC2 ZINC000925683589 618468084 /nfs/dbraw/zinc/46/80/84/618468084.db2.gz SWORGECJQKEIGQ-KGLIPLIRSA-N 2 0 298.789 2.717 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000925685444 618479945 /nfs/dbraw/zinc/47/99/45/618479945.db2.gz NJMIJJSWRABDCA-GOEBONIOSA-N 2 0 275.440 2.539 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1 ZINC000895292293 618511966 /nfs/dbraw/zinc/51/19/66/618511966.db2.gz FJEMUEQSHBEMCN-OWCLPIDISA-N 2 0 298.471 2.818 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000895292535 618514745 /nfs/dbraw/zinc/51/47/45/618514745.db2.gz DCNDWCNQGOVXCE-GJZGRUSLSA-N 2 0 291.439 2.642 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000895376398 618555746 /nfs/dbraw/zinc/55/57/46/618555746.db2.gz BODUNWLXVZHISL-OAGGEKHMSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895378138 618556684 /nfs/dbraw/zinc/55/66/84/618556684.db2.gz HKVDATBHXRHFAU-DOTOQJQBSA-N 2 0 275.440 2.942 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccn1C ZINC000895375738 618559078 /nfs/dbraw/zinc/55/90/78/618559078.db2.gz DGTUNVNYLOGQLN-ZBFHGGJFSA-N 2 0 263.429 2.577 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1)[NH+](C)C ZINC000895428150 618576812 /nfs/dbraw/zinc/57/68/12/618576812.db2.gz GHFYXLVVBIIWRY-OFQRWUPVSA-N 2 0 276.424 2.556 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2COCC2(C)C)CC1 ZINC000895445862 618590962 /nfs/dbraw/zinc/59/09/62/618590962.db2.gz JPPGPLOXVIFJKR-HNNXBMFYSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000926753842 618636087 /nfs/dbraw/zinc/63/60/87/618636087.db2.gz KNGREMUPRSDBHO-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000926753848 618636091 /nfs/dbraw/zinc/63/60/91/618636091.db2.gz KNGREMUPRSDBHO-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892578662 618641198 /nfs/dbraw/zinc/64/11/98/618641198.db2.gz GZHIGJQBRAWGKR-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nccn2C2CC2)C1 ZINC000892584852 618643140 /nfs/dbraw/zinc/64/31/40/618643140.db2.gz PBJZYPAGMJVUGP-OAHLLOKOSA-N 2 0 290.455 2.820 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924576972 618644643 /nfs/dbraw/zinc/64/46/43/618644643.db2.gz GGTHCKRMTVHMFT-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C2(Br)CC2)CC1 ZINC000924578619 618653608 /nfs/dbraw/zinc/65/36/08/618653608.db2.gz PYFREQBTHMEYRF-LLVKDONJSA-N 2 0 289.261 2.766 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+](C)C)c2c(n1)CCCC2 ZINC000892742027 618737534 /nfs/dbraw/zinc/73/75/34/618737534.db2.gz SYRXIQRUZWHPEU-UHFFFAOYSA-N 2 0 275.440 2.700 20 0 CFADRP CC(C)CCCC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892763857 618742408 /nfs/dbraw/zinc/74/24/08/618742408.db2.gz XUOPAAPSNAEJJB-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000892963094 618784558 /nfs/dbraw/zinc/78/45/58/618784558.db2.gz CMOFODUHWDGFKU-KRWDZBQOSA-N 2 0 287.451 2.587 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523882 618805778 /nfs/dbraw/zinc/80/57/78/618805778.db2.gz GBVNEXZACDMUDJ-XYTVBORESA-N 3 0 281.488 2.712 20 0 CFADRP CCc1onc(C)c1C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000893068423 618820557 /nfs/dbraw/zinc/82/05/57/618820557.db2.gz PTUKQTLCJUQIID-UHFFFAOYSA-N 2 0 279.428 2.757 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925501409 618822373 /nfs/dbraw/zinc/82/23/73/618822373.db2.gz CEXUHMNRVZQRFE-LXTVHRRPSA-N 2 0 280.456 2.687 20 0 CFADRP CSc1ccc(F)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893082611 618824517 /nfs/dbraw/zinc/82/45/17/618824517.db2.gz BOUVLNNLGFWEKG-UHFFFAOYSA-N 2 0 282.428 2.979 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000925503226 618828289 /nfs/dbraw/zinc/82/82/89/618828289.db2.gz IQDFXCDIMGVVIH-MRXNPFEDSA-N 2 0 271.408 2.762 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925505888 618834398 /nfs/dbraw/zinc/83/43/98/618834398.db2.gz PFMSGDKLKHNACF-HUUCEWRRSA-N 2 0 276.424 2.733 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H](C[NH+](C)C)C2)c1Br ZINC000893119214 618837733 /nfs/dbraw/zinc/83/77/33/618837733.db2.gz PCMSDQKERCORNW-LLVKDONJSA-N 2 0 298.228 2.540 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925513243 618852980 /nfs/dbraw/zinc/85/29/80/618852980.db2.gz HUDCJEQYWWTWNC-JKSUJKDBSA-N 2 0 279.472 2.515 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925516226 618855197 /nfs/dbraw/zinc/85/51/97/618855197.db2.gz WIGZGNTUVWGMCU-VNQPRFMTSA-N 2 0 274.408 2.622 20 0 CFADRP CC(C)CCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925523770 618865625 /nfs/dbraw/zinc/86/56/25/618865625.db2.gz ZMNLVXLGNUKKCK-SJORKVTESA-N 2 0 282.472 2.807 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925523976 618866965 /nfs/dbraw/zinc/86/69/65/618866965.db2.gz WTGWCAYYBVNSNS-WLGOAYHESA-N 2 0 270.420 2.685 20 0 CFADRP CCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925525344 618868729 /nfs/dbraw/zinc/86/87/29/618868729.db2.gz BUOSHQMDWRAGIZ-IRXDYDNUSA-N 2 0 294.483 2.951 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000893186909 618872056 /nfs/dbraw/zinc/87/20/56/618872056.db2.gz IIYIZEDTTJKRET-UHFFFAOYSA-N 2 0 294.468 2.626 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000925530229 618883391 /nfs/dbraw/zinc/88/33/91/618883391.db2.gz PTFVSKZGWPZLEF-MRXNPFEDSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]([NH3+])[C@H](NCCN(C)c1ccccc1)c1ccccc1 ZINC000925536071 618889256 /nfs/dbraw/zinc/88/92/56/618889256.db2.gz BTVUOKCDATXYJP-YJBOKZPZSA-N 2 0 283.419 2.801 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925536186 618890419 /nfs/dbraw/zinc/89/04/19/618890419.db2.gz CBXAVJULZSCALS-CVEARBPZSA-N 2 0 274.408 2.583 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCOc2ccc(F)cc2)C12CCC2 ZINC000925537856 618892773 /nfs/dbraw/zinc/89/27/73/618892773.db2.gz OLPYUSJGAWUTTE-JKSUJKDBSA-N 2 0 292.398 2.844 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925540485 618899216 /nfs/dbraw/zinc/89/92/16/618899216.db2.gz GXWUDDCDLMSXTA-UONOGXRCSA-N 2 0 279.428 2.720 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2csc(C(C)(C)C)n2)CC1 ZINC000893254503 618909309 /nfs/dbraw/zinc/90/93/09/618909309.db2.gz FNDYXKSXOLXMOM-UHFFFAOYSA-N 2 0 295.496 2.915 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000925554697 618918513 /nfs/dbraw/zinc/91/85/13/618918513.db2.gz AZHSZATZYRIEST-OKZBNKHCSA-N 2 0 288.435 2.635 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000925555311 618919502 /nfs/dbraw/zinc/91/95/02/618919502.db2.gz GNCNPOCHSNXHMY-GVDBMIGSSA-N 2 0 294.483 2.779 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925555852 618920077 /nfs/dbraw/zinc/92/00/77/618920077.db2.gz HXEKLNWYFOPYKB-KRWDZBQOSA-N 2 0 287.407 2.904 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C12CCC2 ZINC000925556448 618921193 /nfs/dbraw/zinc/92/11/93/618921193.db2.gz KNZGYDZPAPGZGW-DLBZAZTESA-N 2 0 283.419 2.960 20 0 CFADRP CCCC[C@H](CN)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925699106 618952437 /nfs/dbraw/zinc/95/24/37/618952437.db2.gz MYXYEUWPBFQHKP-CVEARBPZSA-N 2 0 263.429 2.574 20 0 CFADRP Cc1cnc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(C)c1 ZINC000925701981 618954970 /nfs/dbraw/zinc/95/49/70/618954970.db2.gz IWHAJICZGUWIHL-PVAVHDDUSA-N 2 0 287.451 2.607 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CC23CCSCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925703380 618957445 /nfs/dbraw/zinc/95/74/45/618957445.db2.gz DNCJEXQBWHKAKU-APIJFGDWSA-N 2 0 294.508 2.886 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925706098 618960507 /nfs/dbraw/zinc/96/05/07/618960507.db2.gz FDRSALXYIAOIRL-LEWSCRJBSA-N 2 0 296.361 2.592 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925712740 618966843 /nfs/dbraw/zinc/96/68/43/618966843.db2.gz IRGNZQRMHUIVNE-OKEQZYBDSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccccc1 ZINC000925720785 618978314 /nfs/dbraw/zinc/97/83/14/618978314.db2.gz JFNUKNIAFWGWFR-RDJZCZTQSA-N 2 0 276.424 2.873 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)C1([C@@H]2CCCCO2)CCC1 ZINC000925722260 618983845 /nfs/dbraw/zinc/98/38/45/618983845.db2.gz KIYKTRWJBYSFEP-HOTGVXAUSA-N 2 0 292.467 2.990 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000093215267 618989993 /nfs/dbraw/zinc/98/99/93/618989993.db2.gz BEYOSQMOHJIZER-FPMFFAJLSA-N 2 0 278.396 2.624 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000893470737 619009877 /nfs/dbraw/zinc/00/98/77/619009877.db2.gz LHYMOZOMOWSEHN-UHFFFAOYSA-N 2 0 292.471 2.902 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925726535 619012321 /nfs/dbraw/zinc/01/23/21/619012321.db2.gz JDZWDBHZHFFABN-ZOBUZTSGSA-N 2 0 287.451 2.669 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)C1 ZINC000925730244 619031110 /nfs/dbraw/zinc/03/11/10/619031110.db2.gz VEYJNUHDBQFQJH-KFWWJZLASA-N 2 0 280.456 2.974 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(F)(F)F ZINC000093516435 619033866 /nfs/dbraw/zinc/03/38/66/619033866.db2.gz JMODIYWBVISFLC-GHMZBOCLSA-N 2 0 252.324 2.839 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925731387 619037278 /nfs/dbraw/zinc/03/72/78/619037278.db2.gz BIGNXEGOFQKMEU-PCKAHOCUSA-N 3 0 279.472 2.514 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCSCCC(F)(F)F)C12CCC2 ZINC000925734141 619043965 /nfs/dbraw/zinc/04/39/65/619043965.db2.gz NWDRPQMLYRUMGY-VHSXEESVSA-N 2 0 282.375 2.532 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000925771136 619083776 /nfs/dbraw/zinc/08/37/76/619083776.db2.gz MRIQVKFIMUTYAU-LWWSYDQCSA-N 2 0 250.361 2.727 20 0 CFADRP Clc1cscc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925772967 619088614 /nfs/dbraw/zinc/08/86/14/619088614.db2.gz VSQOOVCGPCRKOC-JFGNBEQYSA-N 2 0 270.829 2.879 20 0 CFADRP Clc1cscc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925772965 619088889 /nfs/dbraw/zinc/08/88/89/619088889.db2.gz VSQOOVCGPCRKOC-HOSYDEDBSA-N 2 0 270.829 2.879 20 0 CFADRP COc1ccc(F)cc1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925773895 619091182 /nfs/dbraw/zinc/09/11/82/619091182.db2.gz HTRSXPNWDLIEDZ-INIZCTEOSA-N 2 0 292.398 2.641 20 0 CFADRP C[N@@H+](CCc1ccccc1F)CCC1CC[NH2+]CC1 ZINC000258984350 619091583 /nfs/dbraw/zinc/09/15/83/619091583.db2.gz LFUNNAFPAQTUPA-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775968 619095741 /nfs/dbraw/zinc/09/57/41/619095741.db2.gz ISVXLACAWFCWEI-UPJWGTAASA-N 2 0 260.372 2.790 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000094368445 619105660 /nfs/dbraw/zinc/10/56/60/619105660.db2.gz UWSCCNDODLKHQA-GJZGRUSLSA-N 2 0 278.440 2.552 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094371348 619106510 /nfs/dbraw/zinc/10/65/10/619106510.db2.gz HFFPNXGXVCVASF-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925796485 619119189 /nfs/dbraw/zinc/11/91/89/619119189.db2.gz CIWUTUDKARVCTF-NTZNESFSSA-N 2 0 281.469 2.910 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)nc1 ZINC000925799541 619121149 /nfs/dbraw/zinc/12/11/49/619121149.db2.gz VNVXOYIIMFCMSO-GRYCIOLGSA-N 2 0 267.804 2.631 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2nccn2C1)c1cccc(C[NH+](C)C)c1 ZINC000925811144 619129371 /nfs/dbraw/zinc/12/93/71/619129371.db2.gz CKJVTYZVJJKVSN-WMLDXEAASA-N 2 0 298.434 2.610 20 0 CFADRP Cc1nc(C[NH2+]CCCCn2ccnc2)sc1C ZINC000094965811 619141904 /nfs/dbraw/zinc/14/19/04/619141904.db2.gz USPCRPYLXGYMBT-UHFFFAOYSA-N 2 0 264.398 2.526 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccccc1 ZINC000925829107 619160030 /nfs/dbraw/zinc/16/00/30/619160030.db2.gz BIIICPGGJUAXBQ-XWTMOSNGSA-N 2 0 286.419 2.647 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925829808 619161297 /nfs/dbraw/zinc/16/12/97/619161297.db2.gz BTVSUZCCROMREP-FUHWJXTLSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000925834357 619165715 /nfs/dbraw/zinc/16/57/15/619165715.db2.gz WAGSHUVGTKMUCF-CHWSQXEVSA-N 2 0 262.397 2.617 20 0 CFADRP c1ccc2ncc(CC[NH2+][C@H]3CCC[NH2+]CC3)cc2c1 ZINC000925835540 619167408 /nfs/dbraw/zinc/16/74/08/619167408.db2.gz RBPNQLNBUJJPDJ-INIZCTEOSA-N 2 0 269.392 2.509 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000925837009 619168155 /nfs/dbraw/zinc/16/81/55/619168155.db2.gz AYIBPLMQAUFZBB-LBPRGKRZSA-N 2 0 275.396 2.786 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000261554048 619169841 /nfs/dbraw/zinc/16/98/41/619169841.db2.gz AOWNFRIPCCBDFK-RBSFLKMASA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCc3ccccc32)c2ccccc21 ZINC000925838344 619170433 /nfs/dbraw/zinc/17/04/33/619170433.db2.gz WJVLCVYOUUZYPW-ZWKOTPCHSA-N 2 0 293.414 2.784 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000261565605 619171899 /nfs/dbraw/zinc/17/18/99/619171899.db2.gz HUBZZSNWAXTOEY-HUUCEWRRSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(C)n1 ZINC000925839421 619172928 /nfs/dbraw/zinc/17/29/28/619172928.db2.gz BRNDZXBYQGGYBN-IAOVAPTHSA-N 2 0 273.424 2.881 20 0 CFADRP Fc1cncc([C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C2CC2)c1 ZINC000925841798 619175143 /nfs/dbraw/zinc/17/51/43/619175143.db2.gz SSMQDODPJTVYEZ-IXDOHACOSA-N 2 0 289.398 2.794 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)C2 ZINC000925843828 619176169 /nfs/dbraw/zinc/17/61/69/619176169.db2.gz TZJGDQARBKXVBS-RCCFBDPRSA-N 2 0 270.420 2.666 20 0 CFADRP COCC1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CCC1 ZINC000261610958 619177466 /nfs/dbraw/zinc/17/74/66/619177466.db2.gz SKFAMUBBJYCEHP-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cs1 ZINC000925848069 619181450 /nfs/dbraw/zinc/18/14/50/619181450.db2.gz ZJOHZOWZVNPLJT-OAHLLOKOSA-N 2 0 295.496 2.783 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000925862277 619188530 /nfs/dbraw/zinc/18/85/30/619188530.db2.gz ZMUMFRMADHEMJO-JHJVBQTASA-N 2 0 254.443 2.535 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000261659608 619192908 /nfs/dbraw/zinc/19/29/08/619192908.db2.gz YVUROYJGJNNUHD-ARFHVFGLSA-N 2 0 293.480 2.894 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCCc3cccnc31)[NH2+]2 ZINC000925872016 619193064 /nfs/dbraw/zinc/19/30/64/619193064.db2.gz NITVUACYLRJGJA-RBRCJPGISA-N 2 0 271.408 2.578 20 0 CFADRP COC[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925872967 619193324 /nfs/dbraw/zinc/19/33/24/619193324.db2.gz CEAIQWAFEMVESA-DLBZAZTESA-N 2 0 278.440 2.975 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000925874398 619195167 /nfs/dbraw/zinc/19/51/67/619195167.db2.gz JHSQIPBYKQVADV-LSDHHAIUSA-N 2 0 274.408 2.617 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000925875669 619196206 /nfs/dbraw/zinc/19/62/06/619196206.db2.gz LPINJAOUGRSENB-TUAOUCFPSA-N 2 0 296.386 2.621 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000925876349 619196859 /nfs/dbraw/zinc/19/68/59/619196859.db2.gz VGAIAKNNSGDDOG-JLLWLGSASA-N 2 0 267.442 2.792 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877337 619197200 /nfs/dbraw/zinc/19/72/00/619197200.db2.gz OWYFNQXXZHWFTE-MJBXVCDLSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880298 619200137 /nfs/dbraw/zinc/20/01/37/619200137.db2.gz IQDLGYXHRIDQFH-ORQFMDKSSA-N 2 0 258.409 2.725 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000925879718 619200352 /nfs/dbraw/zinc/20/03/52/619200352.db2.gz JAMXONPIEGGAJG-BYCMXARLSA-N 2 0 282.815 2.745 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Br)nc1 ZINC000925879717 619200437 /nfs/dbraw/zinc/20/04/37/619200437.db2.gz IZLAWFWCHTVOSH-UMNHJUIQSA-N 2 0 298.228 2.622 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000925881111 619201548 /nfs/dbraw/zinc/20/15/48/619201548.db2.gz XOIPPOCSYKXCII-YALNPMBYSA-N 2 0 288.435 2.950 20 0 CFADRP CSCc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000893889156 619239958 /nfs/dbraw/zinc/23/99/58/619239958.db2.gz VVGZEJBQYNIAMQ-UHFFFAOYSA-N 2 0 278.465 2.981 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000924961726 619304908 /nfs/dbraw/zinc/30/49/08/619304908.db2.gz BBQDXYWTNRAOOM-KRWDZBQOSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000924965112 619307271 /nfs/dbraw/zinc/30/72/71/619307271.db2.gz VZHVSUQZLZTMJG-LLVKDONJSA-N 2 0 266.360 2.524 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000924965115 619307332 /nfs/dbraw/zinc/30/73/32/619307332.db2.gz VZHVSUQZLZTMJG-NSHDSACASA-N 2 0 266.360 2.524 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1COCC1(C)C)C(C)C ZINC000894327693 619335435 /nfs/dbraw/zinc/33/54/35/619335435.db2.gz VXWGDURGQRGMNG-AWEZNQCLSA-N 2 0 256.434 2.510 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925030066 619345773 /nfs/dbraw/zinc/34/57/73/619345773.db2.gz UFMMTZNESNHNNS-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925036354 619351736 /nfs/dbraw/zinc/35/17/36/619351736.db2.gz BYPZCTCXJNGXPC-SUMWQHHRSA-N 2 0 276.424 2.560 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000262012444 619370908 /nfs/dbraw/zinc/37/09/08/619370908.db2.gz VFTIXUOLRFDEBX-RHSMWYFYSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)Cc2ccccc2O1 ZINC000894593494 619427526 /nfs/dbraw/zinc/42/75/26/619427526.db2.gz UFDHFMSLQZAYFI-CQSZACIVSA-N 2 0 274.408 2.611 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894667778 619439197 /nfs/dbraw/zinc/43/91/97/619439197.db2.gz NCTLZZZSKLRMTG-ODWCKFRGSA-N 2 0 294.361 2.559 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn2ccnc2s1 ZINC000894729889 619452023 /nfs/dbraw/zinc/45/20/23/619452023.db2.gz AONVFGYMLPMYQW-UHFFFAOYSA-N 2 0 280.441 2.606 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)Cc1[nH]nc(C)c1C ZINC000894779919 619465355 /nfs/dbraw/zinc/46/53/55/619465355.db2.gz RYOWCXFBFYGFFR-UHFFFAOYSA-N 2 0 289.427 2.698 20 0 CFADRP CCCSC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894860583 619487412 /nfs/dbraw/zinc/48/74/12/619487412.db2.gz FCUAPZCJDPMMNZ-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000894861103 619487604 /nfs/dbraw/zinc/48/76/04/619487604.db2.gz PLNDMMJFJBUNPP-GFCCVEGCSA-N 2 0 282.815 2.867 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925095984 619503532 /nfs/dbraw/zinc/50/35/32/619503532.db2.gz XKVDPDKVANBOTC-CSKOPFHVSA-N 2 0 292.467 2.656 20 0 CFADRP COC1CCC(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000895479576 619539141 /nfs/dbraw/zinc/53/91/41/619539141.db2.gz RPHQBTXHGCIGNP-IIIMJFFVSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(Cc3ccsc3)C2)CC1 ZINC000895516495 619545720 /nfs/dbraw/zinc/54/57/20/619545720.db2.gz SZCVOOMBKIXVLO-UHFFFAOYSA-N 2 0 264.438 2.564 20 0 CFADRP CC(C)n1cc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cn1 ZINC000895555700 619554352 /nfs/dbraw/zinc/55/43/52/619554352.db2.gz AQOFVLTZHSMFAJ-HNNXBMFYSA-N 2 0 299.422 2.570 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC000895550544 619556678 /nfs/dbraw/zinc/55/66/78/619556678.db2.gz RSYKGUYKFVBNHR-UHFFFAOYSA-N 2 0 280.387 2.561 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000895587041 619561478 /nfs/dbraw/zinc/56/14/78/619561478.db2.gz GHFKKOAAVUSBHZ-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)CC1 ZINC000895666600 619581384 /nfs/dbraw/zinc/58/13/84/619581384.db2.gz ONVULVIOOXSHFX-MRXNPFEDSA-N 2 0 274.408 2.523 20 0 CFADRP CCc1ncc(C[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000895682200 619585335 /nfs/dbraw/zinc/58/53/35/619585335.db2.gz CTMYONDGVJZBPX-UHFFFAOYSA-N 2 0 290.455 2.737 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(Cc3nccs3)CC2)CC1 ZINC000895735806 619596973 /nfs/dbraw/zinc/59/69/73/619596973.db2.gz HNVKBAYPEUHMCS-UHFFFAOYSA-N 2 0 293.480 2.739 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000895822106 619614853 /nfs/dbraw/zinc/61/48/53/619614853.db2.gz JFOPEPQDUUYNPS-AWEZNQCLSA-N 2 0 268.470 2.690 20 0 CFADRP COc1nccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1F ZINC000895822716 619614933 /nfs/dbraw/zinc/61/49/33/619614933.db2.gz LZOLPDANJHRGNH-UHFFFAOYSA-N 2 0 295.402 2.582 20 0 CFADRP Cn1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c(C2CC2)n1 ZINC000895823574 619615415 /nfs/dbraw/zinc/61/54/15/619615415.db2.gz RDMKHPUAWOZYEF-UHFFFAOYSA-N 2 0 290.455 2.650 20 0 CFADRP CCc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)cc[nH+]1 ZINC000895890475 619628501 /nfs/dbraw/zinc/62/85/01/619628501.db2.gz JLXKXZVUXNDQMQ-QGZVFWFLSA-N 2 0 284.407 2.566 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CC(Nc3ccccc3)C2)CC1 ZINC000895949177 619642431 /nfs/dbraw/zinc/64/24/31/619642431.db2.gz TXINJNZNYWJGLO-UHFFFAOYSA-N 2 0 273.424 2.561 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC000895998815 619650719 /nfs/dbraw/zinc/65/07/19/619650719.db2.gz AGVBYJJZAPNILI-CYBMUJFWSA-N 2 0 260.372 2.743 20 0 CFADRP CC1(O)CCC([NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000896034821 619657676 /nfs/dbraw/zinc/65/76/76/619657676.db2.gz HHDUNJBXPCQVGF-ADKAHSJRSA-N 2 0 299.418 2.908 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC000896952030 619903617 /nfs/dbraw/zinc/90/36/17/619903617.db2.gz MUJCPHPJPDXOKB-ZFWWWQNUSA-N 2 0 291.464 2.924 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000925140421 619936967 /nfs/dbraw/zinc/93/69/67/619936967.db2.gz PPLXNAKDJJCGLA-INIZCTEOSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2c(F)cc(O)cc2F)CC1 ZINC000897304357 619974794 /nfs/dbraw/zinc/97/47/94/619974794.db2.gz CLXVUUYLEAHMCO-UHFFFAOYSA-N 2 0 298.377 2.675 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@H](C)C1 ZINC000925168751 620001974 /nfs/dbraw/zinc/00/19/74/620001974.db2.gz HPMPCECFYJIEQY-GJEMEMOUSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000925232711 620057252 /nfs/dbraw/zinc/05/72/52/620057252.db2.gz LNSJZKIOXNMBNC-YQQAZPJKSA-N 2 0 282.472 2.758 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000925241007 620062495 /nfs/dbraw/zinc/06/24/95/620062495.db2.gz NBEAFQVEWVGJHI-WBMJQRKESA-N 2 0 298.402 2.539 20 0 CFADRP CCc1nc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cs1 ZINC000788022316 620126103 /nfs/dbraw/zinc/12/61/03/620126103.db2.gz CMTPGGSMKDNDKY-NSHDSACASA-N 2 0 267.442 2.698 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925268428 620140970 /nfs/dbraw/zinc/14/09/70/620140970.db2.gz OKXDIYCVXVEHMR-MPGHIAIKSA-N 2 0 290.451 2.950 20 0 CFADRP Cl/C=C/C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182952666 625399363 /nfs/dbraw/zinc/39/93/63/625399363.db2.gz QFMVLWKDZCBFSF-QHHAFSJGSA-N 2 0 286.847 2.563 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CCOCC2)CC[N@@H+]1C ZINC000897445468 620173457 /nfs/dbraw/zinc/17/34/57/620173457.db2.gz IIFNCRPKJQJLFW-HIFRSBDPSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC000841007971 620215251 /nfs/dbraw/zinc/21/52/51/620215251.db2.gz LQAIXFUJTIXZFV-UONOGXRCSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ncco1 ZINC000925300928 620235366 /nfs/dbraw/zinc/23/53/66/620235366.db2.gz PYDGQZOVKPKMSF-ZDUSSCGKSA-N 2 0 286.379 2.637 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cncc3ccccc32)C[C@@H]1C[NH3+] ZINC000163495906 620247668 /nfs/dbraw/zinc/24/76/68/620247668.db2.gz NCQVQJDFXTXDMW-ZFWWWQNUSA-N 2 0 269.392 2.652 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC(C)(C)c3ccccc3)C[C@]2(C)C1 ZINC000897621783 620260777 /nfs/dbraw/zinc/26/07/77/620260777.db2.gz SNPFDWNNBIBSHA-AEFFLSMTSA-N 2 0 272.436 2.848 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC1(C)C ZINC000897969750 620305758 /nfs/dbraw/zinc/30/57/58/620305758.db2.gz AONDMWBARPYHQS-TUBUQKNSSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CC(CCO)C3)CC2)C1 ZINC000898011363 620316831 /nfs/dbraw/zinc/31/68/31/620316831.db2.gz QBFCOCWSBKMMKA-HRSCSKTISA-N 2 0 294.483 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@H](C)C1 ZINC000898048671 620321591 /nfs/dbraw/zinc/32/15/91/620321591.db2.gz PGAJCJLEMHGHEY-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000898013674 620322713 /nfs/dbraw/zinc/32/27/13/620322713.db2.gz FJFVDMMFSVRPCT-AGIUHOORSA-N 2 0 260.372 2.884 20 0 CFADRP CC1(C)CCN(CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000898033762 620326795 /nfs/dbraw/zinc/32/67/95/620326795.db2.gz BJRZVKWXNCERAJ-CQSZACIVSA-N 2 0 297.446 2.957 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898111548 620335542 /nfs/dbraw/zinc/33/55/42/620335542.db2.gz KIRSYLNOEOCESB-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770162 620419752 /nfs/dbraw/zinc/41/97/52/620419752.db2.gz DFSJXOAEEHGKJV-IRXDYDNUSA-N 2 0 283.504 2.673 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000841058828 620423495 /nfs/dbraw/zinc/42/34/95/620423495.db2.gz VUHITGWHUJALMK-STQMWFEESA-N 2 0 274.364 2.801 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924698268 620445069 /nfs/dbraw/zinc/44/50/69/620445069.db2.gz YFJIOJXJIJTMDF-FXUDXRNXSA-N 2 0 268.445 2.533 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000924717461 620452559 /nfs/dbraw/zinc/45/25/59/620452559.db2.gz VCVYUIWVJJMWBC-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000924721334 620453584 /nfs/dbraw/zinc/45/35/84/620453584.db2.gz NQTPHRLLJUBFOS-CRAIPNDOSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@]2(c3ccccc3)CCCO2)CC1 ZINC000927114479 620454923 /nfs/dbraw/zinc/45/49/23/620454923.db2.gz GCMOERQEXDUZEW-SFHVURJKSA-N 2 0 288.435 2.766 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(Br)CC2)C1 ZINC000924750125 620522926 /nfs/dbraw/zinc/52/29/26/620522926.db2.gz CSMQURORIXLJEZ-RYUDHWBXSA-N 2 0 289.261 2.624 20 0 CFADRP CCNc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902079265 620969470 /nfs/dbraw/zinc/96/94/70/620969470.db2.gz RKHSUNACKXUTIG-CVEARBPZSA-N 2 0 273.424 2.835 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000902078776 620969545 /nfs/dbraw/zinc/96/95/45/620969545.db2.gz OKPYUNGRTICQTI-AWEZNQCLSA-N 2 0 261.413 2.550 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902319459 621023529 /nfs/dbraw/zinc/02/35/29/621023529.db2.gz LRXSZQUTXBTBEN-HOTGVXAUSA-N 2 0 281.488 2.619 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCSC(F)(F)F)C1 ZINC000902321203 621024155 /nfs/dbraw/zinc/02/41/55/621024155.db2.gz VMMTYHRWMORBPS-VIFPVBQESA-N 2 0 270.364 2.607 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000902321343 621024176 /nfs/dbraw/zinc/02/41/76/621024176.db2.gz UUCTUWZVIRFIEB-INIZCTEOSA-N 2 0 260.425 2.987 20 0 CFADRP CCn1cnc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c1 ZINC000902299666 621025737 /nfs/dbraw/zinc/02/57/37/621025737.db2.gz CKFZBOGDJAWAPY-UHFFFAOYSA-N 2 0 292.471 2.751 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2COc3ccccc3C2)C1 ZINC000902315152 621031009 /nfs/dbraw/zinc/03/10/09/621031009.db2.gz KOMCAZAQIBCOGD-GDBMZVCRSA-N 2 0 288.435 2.606 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC000902347006 621034447 /nfs/dbraw/zinc/03/44/47/621034447.db2.gz JRNWDFWSTPIBPF-IXDOHACOSA-N 2 0 272.436 2.985 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902348287 621035169 /nfs/dbraw/zinc/03/51/69/621035169.db2.gz YQEUBZLNBDHYAK-BBWFWOEESA-N 2 0 295.515 2.722 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000902334209 621040599 /nfs/dbraw/zinc/04/05/99/621040599.db2.gz OZROWGHSUFLTTF-HUUCEWRRSA-N 2 0 296.842 2.741 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902335658 621041303 /nfs/dbraw/zinc/04/13/03/621041303.db2.gz JNHAUPSOVOPYDG-ZFWWWQNUSA-N 2 0 261.413 2.553 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)N(C)c1ccccc1 ZINC000902338533 621042298 /nfs/dbraw/zinc/04/22/98/621042298.db2.gz MXJZHPHUWIFKHM-HZPDHXFCSA-N 2 0 289.467 2.879 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000902353249 621049551 /nfs/dbraw/zinc/04/95/51/621049551.db2.gz XWUOWVOCSLCOFH-OAHLLOKOSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361812 621053142 /nfs/dbraw/zinc/05/31/42/621053142.db2.gz SYVSZPCSWFQJSJ-MCIONIFRSA-N 2 0 296.480 2.928 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902362154 621053150 /nfs/dbraw/zinc/05/31/50/621053150.db2.gz WYIGENISISFCMW-INIZCTEOSA-N 2 0 283.504 2.863 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](O)c1ccc(F)cc1 ZINC000902361153 621053201 /nfs/dbraw/zinc/05/32/01/621053201.db2.gz NUTUZSUOBNERQJ-MAZHCROVSA-N 2 0 294.414 2.615 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C1 ZINC000902361663 621053351 /nfs/dbraw/zinc/05/33/51/621053351.db2.gz OJWPXGWSPYSPMA-GFCCVEGCSA-N 2 0 298.377 2.711 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902381969 621058866 /nfs/dbraw/zinc/05/88/66/621058866.db2.gz AFJPVUOWAIGVHA-IRXDYDNUSA-N 2 0 290.451 2.705 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CC23CCSCC3)C1 ZINC000902394909 621064152 /nfs/dbraw/zinc/06/41/52/621064152.db2.gz XSSOPGASRJEGRX-UONOGXRCSA-N 2 0 282.497 2.888 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000902400375 621067388 /nfs/dbraw/zinc/06/73/88/621067388.db2.gz RAUFOXSEAZAEJT-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902402286 621068085 /nfs/dbraw/zinc/06/80/85/621068085.db2.gz KBSDJONFUTWKEW-ZIAGYGMSSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402478 621068231 /nfs/dbraw/zinc/06/82/31/621068231.db2.gz LUQZMHDOZIWSKW-OAHLLOKOSA-N 2 0 294.414 2.745 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(CC3CC3)CC2)C1 ZINC000902403877 621069375 /nfs/dbraw/zinc/06/93/75/621069375.db2.gz UAEGUVQYXPLWSP-AWEZNQCLSA-N 2 0 250.430 2.935 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000902428334 621075391 /nfs/dbraw/zinc/07/53/91/621075391.db2.gz BYIBWFMSCYMBTD-UYTYNIKBSA-N 2 0 294.483 2.828 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000902428528 621075526 /nfs/dbraw/zinc/07/55/26/621075526.db2.gz DYNAKNHXCIFZDZ-MNOVXSKESA-N 2 0 297.240 2.750 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000902428976 621075811 /nfs/dbraw/zinc/07/58/11/621075811.db2.gz IUEZCYQXLVPCDI-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000902430166 621076558 /nfs/dbraw/zinc/07/65/58/621076558.db2.gz HGFXJNJRLPUQMR-JKSUJKDBSA-N 2 0 290.455 2.679 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000902434807 621078959 /nfs/dbraw/zinc/07/89/59/621078959.db2.gz ZSYPGHDLPGLJPD-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902442254 621081834 /nfs/dbraw/zinc/08/18/34/621081834.db2.gz APQPNVABMQPRTN-GDCCYVLZSA-N 2 0 266.454 2.519 20 0 CFADRP CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(OC)cc1 ZINC000902473445 621085885 /nfs/dbraw/zinc/08/58/85/621085885.db2.gz YTFNMVBFIOCYGQ-SYAUCNOPSA-N 2 0 260.381 2.629 20 0 CFADRP C[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902475996 621086646 /nfs/dbraw/zinc/08/66/46/621086646.db2.gz LITPDGPWRPYTKP-SXXASDTRSA-N 2 0 299.462 2.522 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902476197 621087302 /nfs/dbraw/zinc/08/73/02/621087302.db2.gz NNASEKZFIBVXEV-KTQBOKQISA-N 2 0 291.483 2.512 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452172 621092791 /nfs/dbraw/zinc/09/27/91/621092791.db2.gz JRCSJGMFKLYHDE-GPMKHBRKSA-N 2 0 280.362 2.928 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902453230 621093147 /nfs/dbraw/zinc/09/31/47/621093147.db2.gz NZHKFPHGSHLBJL-YIVQXAGMSA-N 2 0 266.335 2.680 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)[C@@H]2CCC[C@@H]12 ZINC000902455758 621094040 /nfs/dbraw/zinc/09/40/40/621094040.db2.gz MSIQNOYOSYRDQB-BQJWPVKWSA-N 2 0 262.441 2.933 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC(C)(C)O2)C[C@@H]([NH3+])C1 ZINC000902462417 621096730 /nfs/dbraw/zinc/09/67/30/621096730.db2.gz WDRFKOAIMMJKNQ-HZSPNIEDSA-N 2 0 268.445 2.830 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)O1 ZINC000902463006 621097142 /nfs/dbraw/zinc/09/71/42/621097142.db2.gz YRNWTICXDFFJRR-LVQVYYBASA-N 2 0 280.456 2.844 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902490726 621102259 /nfs/dbraw/zinc/10/22/59/621102259.db2.gz SNNMMZUWDLBIFS-HJWJTTGWSA-N 2 0 258.409 2.958 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1OC(F)(F)F ZINC000902491441 621102582 /nfs/dbraw/zinc/10/25/82/621102582.db2.gz XVLOQFLGJRSCHA-DCAQKATOSA-N 2 0 288.313 2.973 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000902512253 621108638 /nfs/dbraw/zinc/10/86/38/621108638.db2.gz HHCYUPLIBFEDGL-WMLDXEAASA-N 2 0 275.440 2.833 20 0 CFADRP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCCC[NH2+]3)CC2)n1 ZINC000902482973 621109661 /nfs/dbraw/zinc/10/96/61/621109661.db2.gz OGNLSMTXPUUZHW-NRXISQOPSA-N 2 0 292.427 2.526 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482691 621109722 /nfs/dbraw/zinc/10/97/22/621109722.db2.gz MVVDBSGTEHOLNP-RDJZCZTQSA-N 2 0 275.440 2.915 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482688 621109756 /nfs/dbraw/zinc/10/97/56/621109756.db2.gz MVVDBSGTEHOLNP-DOTOQJQBSA-N 2 0 275.440 2.915 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000902486004 621111439 /nfs/dbraw/zinc/11/14/39/621111439.db2.gz DXBADXCZEOWMPW-LUKYLMHMSA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000902485414 621111577 /nfs/dbraw/zinc/11/15/77/621111577.db2.gz KMHFZYFMKRLWSI-SRCQZFHVSA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000902486418 621111916 /nfs/dbraw/zinc/11/19/16/621111916.db2.gz HBOBBKWXLXTBKA-WFBYXXMGSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Br)s1 ZINC000902488106 621112799 /nfs/dbraw/zinc/11/27/99/621112799.db2.gz KDBKBWPTOGNGSV-IWSPIJDZSA-N 2 0 289.242 2.899 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000902488697 621112929 /nfs/dbraw/zinc/11/29/29/621112929.db2.gz MNTHQAVAMHHHAC-QXEWZRGKSA-N 2 0 256.752 2.867 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489455 621113096 /nfs/dbraw/zinc/11/30/96/621113096.db2.gz RMLLZUXMLCSIPP-MRVWCRGKSA-N 2 0 298.377 2.936 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489384 621113218 /nfs/dbraw/zinc/11/32/18/621113218.db2.gz POSGPUNJAMSANS-RGCMKSIDSA-N 2 0 262.397 2.514 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902516398 621115293 /nfs/dbraw/zinc/11/52/93/621115293.db2.gz DGISRTGAFCSCCU-SQWLQELKSA-N 2 0 292.398 2.572 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000902517405 621115645 /nfs/dbraw/zinc/11/56/45/621115645.db2.gz LRRNHTYGAZBRKP-HFBAOOFYSA-N 2 0 278.827 2.785 20 0 CFADRP CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000902520834 621116286 /nfs/dbraw/zinc/11/62/86/621116286.db2.gz PMDOVHCCTFIFFC-RWMBFGLXSA-N 2 0 250.430 2.789 20 0 CFADRP Cl/C=C\C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902523061 621116708 /nfs/dbraw/zinc/11/67/08/621116708.db2.gz ZTTASPKMPHJDLN-BCNNXQAVSA-N 2 0 278.783 2.584 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@H]2CCC[C@H]2[NH3+])c1 ZINC000902527950 621118014 /nfs/dbraw/zinc/11/80/14/621118014.db2.gz LTPQQLBTUJQRAQ-SJORKVTESA-N 2 0 291.439 2.699 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902736557 621161880 /nfs/dbraw/zinc/16/18/80/621161880.db2.gz VFHDURILCJPKAC-WBVHZDCISA-N 2 0 290.451 2.946 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)C1 ZINC000902752996 621165290 /nfs/dbraw/zinc/16/52/90/621165290.db2.gz NMLHQMPMHBGUIM-BFYDXBDKSA-N 2 0 288.435 2.558 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902761662 621167734 /nfs/dbraw/zinc/16/77/34/621167734.db2.gz WHQCYRPELZTXBG-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902785166 621168106 /nfs/dbraw/zinc/16/81/06/621168106.db2.gz AYBASKYWCKYQRR-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902780893 621172158 /nfs/dbraw/zinc/17/21/58/621172158.db2.gz XBJKHEABTKZIMV-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902780682 621172174 /nfs/dbraw/zinc/17/21/74/621172174.db2.gz NWFQLWVBUAWPET-IJEWVQPXSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902780723 621172188 /nfs/dbraw/zinc/17/21/88/621172188.db2.gz PTXHZUGDCHDMBF-OIISXLGYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1COc2ccccc2C1 ZINC000902797385 621180037 /nfs/dbraw/zinc/18/00/37/621180037.db2.gz USLCMLMHXLEPED-YQQAZPJKSA-N 2 0 288.435 2.558 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@H]1COc2ccccc2C1 ZINC000902818598 621181002 /nfs/dbraw/zinc/18/10/02/621181002.db2.gz OGFIPFFKKLAHCQ-YALNPMBYSA-N 2 0 288.435 2.699 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000902810054 621183946 /nfs/dbraw/zinc/18/39/46/621183946.db2.gz PMDLEVBBKNKJBR-ZDGDKENJSA-N 2 0 294.483 2.756 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902839661 621188848 /nfs/dbraw/zinc/18/88/48/621188848.db2.gz UJPVVXRTHNMBNK-IIAWOOMASA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902897572 621197064 /nfs/dbraw/zinc/19/70/64/621197064.db2.gz UFAUBCFKINBXAS-MSOLQXFVSA-N 2 0 292.467 2.823 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902885276 621198980 /nfs/dbraw/zinc/19/89/80/621198980.db2.gz YXCFICYHLSMQAB-FTYUOPDISA-N 2 0 292.467 2.510 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000902896204 621202196 /nfs/dbraw/zinc/20/21/96/621202196.db2.gz HXWNLUSHXWFCBV-HNNXBMFYSA-N 2 0 296.418 2.785 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000902975282 621221454 /nfs/dbraw/zinc/22/14/54/621221454.db2.gz DZVXEEUCBSKWTM-WBVHZDCISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C[NH+](C)C ZINC000902999155 621224566 /nfs/dbraw/zinc/22/45/66/621224566.db2.gz KYONTORUCPUDOM-HYVNUMGLSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+](C)C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903060208 621236961 /nfs/dbraw/zinc/23/69/61/621236961.db2.gz TVRFAIUQYPFCMB-ZXFUBFMLSA-N 2 0 291.483 2.608 20 0 CFADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)COCC1CC1 ZINC000903060293 621237349 /nfs/dbraw/zinc/23/73/49/621237349.db2.gz VQUIWGUAAOOLDC-ZXFUBFMLSA-N 2 0 278.440 2.551 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000903062265 621237918 /nfs/dbraw/zinc/23/79/18/621237918.db2.gz PXSYINRRQLQYFS-MSOLQXFVSA-N 2 0 288.435 2.940 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2[C@H](C)CC[C@H](C)[C@@H]2C)CC1 ZINC000903067717 621239974 /nfs/dbraw/zinc/23/99/74/621239974.db2.gz WEWYFXYRJOVTDW-XWTMOSNGSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCOC12CCCC2)C[NH+]1CCCCC1 ZINC000903075496 621243372 /nfs/dbraw/zinc/24/33/72/621243372.db2.gz XAFYHQBOAGAIBC-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP COCCN1CCC([NH2+][C@@H]2[C@H](C)CC[C@@H](C)[C@@H]2C)CC1 ZINC000903078975 621244656 /nfs/dbraw/zinc/24/46/56/621244656.db2.gz KTLYVMUDDRUUPS-PNBKFKSVSA-N 2 0 282.472 2.758 20 0 CFADRP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000903083313 621246154 /nfs/dbraw/zinc/24/61/54/621246154.db2.gz DSFAJFLWQWSJLW-KGLIPLIRSA-N 2 0 292.423 2.741 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903071503 621250408 /nfs/dbraw/zinc/25/04/08/621250408.db2.gz CUUSOHPQKZYOLD-HOCLYGCPSA-N 2 0 290.455 2.676 20 0 CFADRP CC(C)(CO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903099661 621252389 /nfs/dbraw/zinc/25/23/89/621252389.db2.gz LCVFRCFQEKQAJC-VHRNVKJDSA-N 2 0 280.456 2.533 20 0 CFADRP CC(C)C[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103834 621254043 /nfs/dbraw/zinc/25/40/43/621254043.db2.gz ASVAZBLHRFXBBJ-DUZACMNTSA-N 2 0 294.483 2.779 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000903104187 621254532 /nfs/dbraw/zinc/25/45/32/621254532.db2.gz RTHQGZYEQLBSQP-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000903106097 621254976 /nfs/dbraw/zinc/25/49/76/621254976.db2.gz WUYSTSMKBHXHOQ-CABCVRRESA-N 2 0 256.434 2.652 20 0 CFADRP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC[C@H]1O ZINC000903105144 621255115 /nfs/dbraw/zinc/25/51/15/621255115.db2.gz QQIKRPXXGQMOKW-MOUFXGFKSA-N 2 0 292.467 2.675 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110210 621256410 /nfs/dbraw/zinc/25/64/10/621256410.db2.gz AWNINKPWRHOWCO-AZGATIOISA-N 2 0 278.440 2.549 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903110335 621257199 /nfs/dbraw/zinc/25/71/99/621257199.db2.gz NQOXPTAVKKWOIW-UIEWWBOYSA-N 2 0 278.440 2.547 20 0 CFADRP c1csc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903119188 621260870 /nfs/dbraw/zinc/26/08/70/621260870.db2.gz HNOMSLRXHUXYGI-LQDVMPOASA-N 2 0 291.464 2.823 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147074 621268292 /nfs/dbraw/zinc/26/82/92/621268292.db2.gz DQPKCJSWSHPMMX-HDEZJCGLSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1C[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903149061 621273055 /nfs/dbraw/zinc/27/30/55/621273055.db2.gz ZYRNJKHPEQDQPH-WNJABXAVSA-N 2 0 292.467 2.939 20 0 CFADRP FC1(F)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903174003 621274306 /nfs/dbraw/zinc/27/43/06/621274306.db2.gz BIQHDSJMRRFKJA-QXMXGUDHSA-N 2 0 270.367 2.779 20 0 CFADRP CCC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903178508 621275585 /nfs/dbraw/zinc/27/55/85/621275585.db2.gz WPZIQRRWFGAAFV-WDVRLDOZSA-N 2 0 266.429 2.549 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903177400 621275679 /nfs/dbraw/zinc/27/56/79/621275679.db2.gz MHXURRALEYNFEW-PPHJYPGKSA-N 2 0 280.456 2.795 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](c1ccccn1)C1CC1)C1CC1 ZINC000903183822 621277823 /nfs/dbraw/zinc/27/78/23/621277823.db2.gz RENQKFLRAFCPCV-QGZVFWFLSA-N 2 0 273.424 2.997 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000903185192 621278428 /nfs/dbraw/zinc/27/84/28/621278428.db2.gz IJAOYLCTWQCQRT-WMLDXEAASA-N 2 0 273.424 2.854 20 0 CFADRP COCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903192648 621280378 /nfs/dbraw/zinc/28/03/78/621280378.db2.gz PSHZBYICQKTIHY-VHRNVKJDSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)O1 ZINC000903200415 621283531 /nfs/dbraw/zinc/28/35/31/621283531.db2.gz PESKDLBPSCUZMI-AIDGVLJZSA-N 2 0 278.440 2.691 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)O1 ZINC000903200420 621283610 /nfs/dbraw/zinc/28/36/10/621283610.db2.gz PESKDLBPSCUZMI-PPHJYPGKSA-N 2 0 278.440 2.691 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1SCCS1 ZINC000903204209 621285264 /nfs/dbraw/zinc/28/52/64/621285264.db2.gz RLSJWJGHROTLAA-VGPLMAKISA-N 2 0 284.494 2.540 20 0 CFADRP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903187689 621286216 /nfs/dbraw/zinc/28/62/16/621286216.db2.gz VOKIQFOREHDBPP-ZNXRZULTSA-N 2 0 285.435 2.946 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000903212118 621289515 /nfs/dbraw/zinc/28/95/15/621289515.db2.gz KAZBFDGDPXKYNU-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903222278 621293320 /nfs/dbraw/zinc/29/33/20/621293320.db2.gz ZQLPSBUSPRQCRB-BDFJQQSHSA-N 2 0 292.467 2.939 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903394713 621353011 /nfs/dbraw/zinc/35/30/11/621353011.db2.gz GFIOHUZLBSSZMV-JHNDHUHGSA-N 2 0 280.456 2.654 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000903412172 621365532 /nfs/dbraw/zinc/36/55/32/621365532.db2.gz SLALVHPWZVVVGN-CGZBRXJRSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903429272 621371176 /nfs/dbraw/zinc/37/11/76/621371176.db2.gz CFTWWVDSBHKGEF-PVAVHDDUSA-N 2 0 258.409 2.987 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903430519 621371695 /nfs/dbraw/zinc/37/16/95/621371695.db2.gz VDKJCJKWUJUCTH-IPYPFGDCSA-N 2 0 262.397 2.544 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430805 621372003 /nfs/dbraw/zinc/37/20/03/621372003.db2.gz CEOOVJUVQXDVSJ-CABCVRRESA-N 2 0 262.397 2.645 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903432893 621372876 /nfs/dbraw/zinc/37/28/76/621372876.db2.gz PWBHKRHCQLZYPR-PVAVHDDUSA-N 2 0 288.435 2.558 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000903432687 621372996 /nfs/dbraw/zinc/37/29/96/621372996.db2.gz KRYLTKHJNSMLQX-KMFMINBZSA-N 2 0 276.399 2.688 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903435765 621373823 /nfs/dbraw/zinc/37/38/23/621373823.db2.gz ZAMSOHPTFQDFRD-OAGGEKHMSA-N 2 0 258.409 2.640 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439953 621376672 /nfs/dbraw/zinc/37/66/72/621376672.db2.gz RIARGMZWJILVPG-TXCZRRACSA-N 2 0 258.409 2.992 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903422839 621379192 /nfs/dbraw/zinc/37/91/92/621379192.db2.gz JSUUPWAWAVFNRO-NWANDNLSSA-N 2 0 280.362 2.577 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2CC(C)C)C1 ZINC000903422414 621379201 /nfs/dbraw/zinc/37/92/01/621379201.db2.gz BYHRVZURIHPJEM-HNNXBMFYSA-N 2 0 260.425 2.926 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903459204 621380450 /nfs/dbraw/zinc/38/04/50/621380450.db2.gz DUXCPKAFKYZTQI-KGLIPLIRSA-N 2 0 290.398 2.640 20 0 CFADRP FC1(F)[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903448924 621385884 /nfs/dbraw/zinc/38/58/84/621385884.db2.gz NNUIHMXEQFGXJL-HRCADAONSA-N 2 0 292.373 2.721 20 0 CFADRP c1cc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2[nH]1 ZINC000903452373 621387224 /nfs/dbraw/zinc/38/72/24/621387224.db2.gz LNCCOFFEICJITG-UHFFFAOYSA-N 2 0 269.392 2.743 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C[C@@H]21 ZINC000903453968 621387659 /nfs/dbraw/zinc/38/76/59/621387659.db2.gz QNMJJPHOZSGJQY-MHEUCROKSA-N 2 0 284.394 2.742 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)C1 ZINC000903456331 621388469 /nfs/dbraw/zinc/38/84/69/621388469.db2.gz GZQQXZCFWNWIOU-ARFHVFGLSA-N 2 0 298.434 2.628 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)C1 ZINC000903474220 621389932 /nfs/dbraw/zinc/38/99/32/621389932.db2.gz JFAOQRZDXSZMJG-AEAUEXCSSA-N 2 0 294.826 2.575 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C(C)C ZINC000903476429 621390787 /nfs/dbraw/zinc/39/07/87/621390787.db2.gz WOTJCMJVOWROAF-HOCLYGCPSA-N 2 0 270.461 2.602 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)C[C@@H]21 ZINC000903481394 621391851 /nfs/dbraw/zinc/39/18/51/621391851.db2.gz ANNKQCCPWIRVDL-RVMXOQNASA-N 2 0 270.367 2.542 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)c(C)c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481654 621391885 /nfs/dbraw/zinc/39/18/85/621391885.db2.gz IRYDBITVHVXWSE-AEFFLSMTSA-N 2 0 290.451 2.607 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCCN(Cc2cnns2)C1)C1CCCC1 ZINC000903482272 621392248 /nfs/dbraw/zinc/39/22/48/621392248.db2.gz AAWOQRQCVAHJBO-SWLSCSKDSA-N 2 0 294.468 2.658 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000903482393 621392501 /nfs/dbraw/zinc/39/25/01/621392501.db2.gz GAEQQRLSCMYBSC-CIRFHOKZSA-N 3 0 293.499 2.733 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903499416 621394249 /nfs/dbraw/zinc/39/42/49/621394249.db2.gz UGSSSYJNXCQACO-BGTYHANMSA-N 2 0 288.435 2.823 20 0 CFADRP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507406 621395372 /nfs/dbraw/zinc/39/53/72/621395372.db2.gz YISPSPMFSLAOTI-RYQLBKOJSA-N 2 0 293.499 2.569 20 0 CFADRP C[N@@H+](Cc1ccccc1Cl)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717782 621424604 /nfs/dbraw/zinc/42/46/04/621424604.db2.gz DJJYNNSQWLENHL-GDBMZVCRSA-N 2 0 294.826 2.540 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903716526 621424985 /nfs/dbraw/zinc/42/49/85/621424985.db2.gz OIJSDNPYTOOMGG-UHFFFAOYSA-N 2 0 250.361 2.588 20 0 CFADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903722832 621426901 /nfs/dbraw/zinc/42/69/01/621426901.db2.gz DRLXNTAYKFCPMC-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cs1 ZINC000903723294 621426937 /nfs/dbraw/zinc/42/69/37/621426937.db2.gz HHBJSCAWWZQEEC-PMPSAXMXSA-N 2 0 292.448 2.654 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C1CC1)C1CCCC1 ZINC000903725339 621427728 /nfs/dbraw/zinc/42/77/28/621427728.db2.gz YSYGUMVSZITIQF-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP CCC(CC)C[N@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725153 621427764 /nfs/dbraw/zinc/42/77/64/621427764.db2.gz XIZBEBXCWRVAPJ-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1C ZINC000903725702 621428049 /nfs/dbraw/zinc/42/80/49/621428049.db2.gz FUDTUHJAKJLPOW-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000903729089 621429741 /nfs/dbraw/zinc/42/97/41/621429741.db2.gz JQUXFVCRKSCKCP-WMZOPIPTSA-N 2 0 292.467 2.801 20 0 CFADRP CC(C)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903732552 621430267 /nfs/dbraw/zinc/43/02/67/621430267.db2.gz FWMPJDKESGPADR-INIZCTEOSA-N 2 0 280.456 2.513 20 0 CFADRP FCc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000903750336 621432490 /nfs/dbraw/zinc/43/24/90/621432490.db2.gz XTYFGKAPNVOQGW-UHFFFAOYSA-N 2 0 262.372 2.732 20 0 CFADRP FCc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903749924 621432544 /nfs/dbraw/zinc/43/25/44/621432544.db2.gz SKPOGLQABVPYMH-MRXNPFEDSA-N 2 0 276.399 2.978 20 0 CFADRP c1cncc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903752669 621433183 /nfs/dbraw/zinc/43/31/83/621433183.db2.gz PEKXKQWSTXHZRG-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP CC[C@H]1CCCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734681 621433746 /nfs/dbraw/zinc/43/37/46/621433746.db2.gz UVUJYDZGVQVLQT-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)CC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733908 621433796 /nfs/dbraw/zinc/43/37/96/621433796.db2.gz SGYRMUYEZPHNKL-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC2(C1)CCCCC2 ZINC000903734470 621433839 /nfs/dbraw/zinc/43/38/39/621433839.db2.gz RIWDUUSGWIVHMR-INIZCTEOSA-N 2 0 292.467 2.801 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCC[NH2+]C2)C1(C)C ZINC000903735375 621434246 /nfs/dbraw/zinc/43/42/46/621434246.db2.gz ZEYULXADPYTAJG-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2CF)C[C@@H]1C[NH3+] ZINC000903760983 621436298 /nfs/dbraw/zinc/43/62/98/621436298.db2.gz MIZSHLCFYURZQJ-IOASZLSFSA-N 2 0 264.388 2.961 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903767870 621437129 /nfs/dbraw/zinc/43/71/29/621437129.db2.gz ISKNMSZFIBSQFF-QGZVFWFLSA-N 2 0 287.451 2.910 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903767285 621437454 /nfs/dbraw/zinc/43/74/54/621437454.db2.gz VIXWKLWCFVMTDZ-DOTOQJQBSA-N 2 0 274.408 2.529 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000903770124 621437955 /nfs/dbraw/zinc/43/79/55/621437955.db2.gz SUHQCORYNYWIQQ-ULQDDVLXSA-N 2 0 292.467 2.800 20 0 CFADRP CC1(C)CCC(C)(C)[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769719 621438006 /nfs/dbraw/zinc/43/80/06/621438006.db2.gz MXWTWHOBYJJZLM-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757334 621438628 /nfs/dbraw/zinc/43/86/28/621438628.db2.gz CKMWBCBOAIQAAQ-LTIDMASMSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000903791117 621439051 /nfs/dbraw/zinc/43/90/51/621439051.db2.gz NGCCZHVJYRIBJC-UHFFFAOYSA-N 2 0 294.414 2.515 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](CCC2SCCS2)CC1 ZINC000903791130 621439250 /nfs/dbraw/zinc/43/92/50/621439250.db2.gz NVBUEYJMAQEDHE-UHFFFAOYSA-N 2 0 288.526 2.880 20 0 CFADRP C[C@H]1CC[C@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)O1 ZINC000903792538 621439267 /nfs/dbraw/zinc/43/92/67/621439267.db2.gz DHTRABZAJVFRDV-DOTOQJQBSA-N 2 0 288.435 2.546 20 0 CFADRP C[C@@H](c1ncccn1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793182 621439657 /nfs/dbraw/zinc/43/96/57/621439657.db2.gz PLFVMQQHGGGTMQ-HNNXBMFYSA-N 2 0 296.418 2.530 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792934 621439685 /nfs/dbraw/zinc/43/96/85/621439685.db2.gz KALAOBQWWSSLAZ-GJZGRUSLSA-N 2 0 258.409 2.635 20 0 CFADRP C[C@H](C[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903780086 621440442 /nfs/dbraw/zinc/44/04/42/621440442.db2.gz CWLWFRBMFADJHJ-HUUCEWRRSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1Br ZINC000903788232 621442349 /nfs/dbraw/zinc/44/23/49/621442349.db2.gz GSUKUMFHGWXJEJ-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903815291 621442899 /nfs/dbraw/zinc/44/28/99/621442899.db2.gz KZFMKRQYOCPWHK-UHFFFAOYSA-N 2 0 288.435 2.648 20 0 CFADRP CCc1nocc1C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812155 621447509 /nfs/dbraw/zinc/44/75/09/621447509.db2.gz RCZAWQKHUABVPN-HNNXBMFYSA-N 2 0 277.412 2.721 20 0 CFADRP Nc1cccc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903812097 621447575 /nfs/dbraw/zinc/44/75/75/621447575.db2.gz PQHOTTDDTJLUAR-MRXNPFEDSA-N 2 0 273.424 2.752 20 0 CFADRP C[C@@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)CC(C)(C)C ZINC000903818595 621448480 /nfs/dbraw/zinc/44/84/80/621448480.db2.gz PMOILFUBCWAWQZ-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903826486 621450558 /nfs/dbraw/zinc/45/05/58/621450558.db2.gz KHPIOKNAGJMJDM-ZFWWWQNUSA-N 2 0 268.470 2.594 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827804 621450890 /nfs/dbraw/zinc/45/08/90/621450890.db2.gz XLGFIJPFEWKVGS-CQSZACIVSA-N 2 0 256.459 2.723 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CCN1c1ccccc1 ZINC000903831585 621452244 /nfs/dbraw/zinc/45/22/44/621452244.db2.gz KDRWLEREZCXJRL-INIZCTEOSA-N 2 0 275.440 2.716 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000841078304 621453313 /nfs/dbraw/zinc/45/33/13/621453313.db2.gz GOMXTBOKDSWLOQ-MCIGGMRASA-N 2 0 276.346 2.839 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000903844688 621454980 /nfs/dbraw/zinc/45/49/80/621454980.db2.gz AXTBYBHHQIYMFB-QEWYBTABSA-N 2 0 256.393 2.876 20 0 CFADRP C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903850371 621455981 /nfs/dbraw/zinc/45/59/81/621455981.db2.gz PFRKZCCMSHRRDE-CXAGYDPISA-N 2 0 256.393 2.777 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903863127 621459157 /nfs/dbraw/zinc/45/91/57/621459157.db2.gz JDIOECCQDRUWBI-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903874777 621462762 /nfs/dbraw/zinc/46/27/62/621462762.db2.gz JOEGNSMAUIBCEX-ZWKOTPCHSA-N 2 0 294.483 2.905 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903874775 621462886 /nfs/dbraw/zinc/46/28/86/621462886.db2.gz JOEGNSMAUIBCEX-QZTJIDSGSA-N 2 0 294.483 2.905 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903874592 621462930 /nfs/dbraw/zinc/46/29/30/621462930.db2.gz FGXMAAMRSCELQI-YESZJQIVSA-N 2 0 280.456 2.515 20 0 CFADRP C[N@H+](CCCOc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885544 621464382 /nfs/dbraw/zinc/46/43/82/621464382.db2.gz LFQVOFRCYOKKFB-ALOPSCKCSA-N 2 0 288.435 2.918 20 0 CFADRP Cc1cc(C)cc(CN(C)C[C@H]([NH3+])CC(F)F)c1 ZINC000903915460 621467427 /nfs/dbraw/zinc/46/74/27/621467427.db2.gz YYPYAZVZWBKTBV-CYBMUJFWSA-N 2 0 256.340 2.718 20 0 CFADRP FC(F)O[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903902632 621468634 /nfs/dbraw/zinc/46/86/34/621468634.db2.gz LGPCSZXRPVRBJN-AWEZNQCLSA-N 2 0 296.361 2.536 20 0 CFADRP C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903902579 621468740 /nfs/dbraw/zinc/46/87/40/621468740.db2.gz JWTLWPIRHIBRPC-AWEZNQCLSA-N 2 0 281.403 2.920 20 0 CFADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908574 621470047 /nfs/dbraw/zinc/47/00/47/621470047.db2.gz LCJDQBLWPNYHHS-BDFJQQSHSA-N 2 0 285.435 2.995 20 0 CFADRP Cc1ccncc1C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903908389 621470276 /nfs/dbraw/zinc/47/02/76/621470276.db2.gz IBGKRCQVNXZIRS-UHFFFAOYSA-N 2 0 281.403 2.668 20 0 CFADRP CCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](CC)C(=O)OCC ZINC000903913527 621472292 /nfs/dbraw/zinc/47/22/92/621472292.db2.gz DQFITSSAXGZXEA-UYTSQGDYSA-N 2 0 296.455 2.571 20 0 CFADRP c1sc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C1CC1 ZINC000903920065 621472951 /nfs/dbraw/zinc/47/29/51/621472951.db2.gz GZBLMRBTPDVOFE-VGPLMAKISA-N 2 0 277.437 2.641 20 0 CFADRP COc1ccc(CC[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903922652 621473904 /nfs/dbraw/zinc/47/39/04/621473904.db2.gz BJAKPGLEVKCDIP-UHFFFAOYSA-N 2 0 296.414 2.673 20 0 CFADRP Cc1ccccc1OCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903923241 621474071 /nfs/dbraw/zinc/47/40/71/621474071.db2.gz ORAYDTSKIRNCPV-ALOPSCKCSA-N 2 0 288.435 2.884 20 0 CFADRP CC(C)OCC(C)(C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903929634 621476081 /nfs/dbraw/zinc/47/60/81/621476081.db2.gz IEOZVIKSJWQQGP-UHFFFAOYSA-N 2 0 276.424 2.626 20 0 CFADRP CC1(C)C[C@]1(NC[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903934086 621477357 /nfs/dbraw/zinc/47/73/57/621477357.db2.gz ZUFJVENZBLEWBU-DOMZBBRYSA-N 2 0 268.351 2.884 20 0 CFADRP Cc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1Br ZINC000903938708 621478210 /nfs/dbraw/zinc/47/82/10/621478210.db2.gz HYPPOXCCLTVZDM-UHFFFAOYSA-N 2 0 285.229 2.975 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000903958160 621479087 /nfs/dbraw/zinc/47/90/87/621479087.db2.gz WIHZCWJCFLCYMS-AAEUAGOBSA-N 2 0 286.341 2.764 20 0 CFADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000903959939 621480264 /nfs/dbraw/zinc/48/02/64/621480264.db2.gz SJCOQNDVTYSURS-HWWQOWPSSA-N 2 0 262.372 2.791 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000903959762 621480642 /nfs/dbraw/zinc/48/06/42/621480642.db2.gz NTYUSSPVNVTVEW-CQSZACIVSA-N 2 0 250.411 2.714 20 0 CFADRP COCC[N@H+](Cc1ccc(C)cc1C)C[C@]1(C)CC[NH2+]C1 ZINC000903962118 621480842 /nfs/dbraw/zinc/48/08/42/621480842.db2.gz JFQILHVQSGJNFP-GOSISDBHSA-N 2 0 290.451 2.751 20 0 CFADRP COc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1OC(C)C ZINC000903940899 621482322 /nfs/dbraw/zinc/48/23/22/621482322.db2.gz IKEQIYRCDAHGBU-UHFFFAOYSA-N 2 0 280.412 2.699 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2c3ccccc3NC2(C)C)CC[NH2+]1 ZINC000903948618 621485778 /nfs/dbraw/zinc/48/57/78/621485778.db2.gz SJJCGOYPNVCZFI-WWGRRREGSA-N 2 0 273.424 2.910 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000903947939 621485948 /nfs/dbraw/zinc/48/59/48/621485948.db2.gz IZOXPEYTMVGXFG-FPCDFSMTSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000903955699 621490152 /nfs/dbraw/zinc/49/01/52/621490152.db2.gz AKYMCAXJVOJANI-ZFWWWQNUSA-N 2 0 282.378 2.700 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C[C@@H]1C ZINC000903955685 621490364 /nfs/dbraw/zinc/49/03/64/621490364.db2.gz AGHXFUDMWZLBTJ-XQHKEYJVSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956734 621490778 /nfs/dbraw/zinc/49/07/78/621490778.db2.gz NRFZNZXQOFQWSA-ZYHUDNBSSA-N 2 0 274.380 2.514 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000903956744 621490911 /nfs/dbraw/zinc/49/09/11/621490911.db2.gz NXHHPVCJUSTXKK-NDBYEHHHSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956216 621491028 /nfs/dbraw/zinc/49/10/28/621491028.db2.gz IZORGRVEDLOGOA-UKRRQHHQSA-N 2 0 282.378 2.760 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cncc2ccccc21 ZINC000903973401 621492424 /nfs/dbraw/zinc/49/24/24/621492424.db2.gz CMJYOHUGFSBPRN-ZIAGYGMSSA-N 2 0 269.392 2.570 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974514 621492676 /nfs/dbraw/zinc/49/26/76/621492676.db2.gz QBHNWLYBKXVHOG-TZMCWYRMSA-N 2 0 266.816 2.984 20 0 CFADRP C[C@H](C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000903974758 621492780 /nfs/dbraw/zinc/49/27/80/621492780.db2.gz RODIUCJXLZCTBY-ZMSDIMECSA-N 2 0 260.425 2.700 20 0 CFADRP COc1cccc2cc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)oc21 ZINC000903974502 621493158 /nfs/dbraw/zinc/49/31/58/621493158.db2.gz PRBQVDZDVIIJBL-TZMCWYRMSA-N 2 0 288.391 2.777 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000903975187 621493166 /nfs/dbraw/zinc/49/31/66/621493166.db2.gz YSFQFPFDKYRLBV-DGCLKSJQSA-N 2 0 252.789 2.675 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903974482 621493187 /nfs/dbraw/zinc/49/31/87/621493187.db2.gz OPNKMLSQKYNHPI-DGCLKSJQSA-N 2 0 282.815 2.684 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000903979230 621494845 /nfs/dbraw/zinc/49/48/45/621494845.db2.gz ZAZUFSGQTJNJKY-RHSMWYFYSA-N 2 0 288.435 2.811 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc2ccccc12 ZINC000903964774 621495741 /nfs/dbraw/zinc/49/57/41/621495741.db2.gz QZKBXBFDCYEHLO-NEPJUHHUSA-N 2 0 260.406 2.846 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000903964527 621495920 /nfs/dbraw/zinc/49/59/20/621495920.db2.gz KPBXYDCSZBFEDA-PWSUYJOCSA-N 2 0 272.314 2.651 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000903967770 621496241 /nfs/dbraw/zinc/49/62/41/621496241.db2.gz NYHIUHMDATUVEL-IWCQGFGOSA-N 2 0 258.409 2.768 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903986163 621498957 /nfs/dbraw/zinc/49/89/57/621498957.db2.gz HCSGCZOBZQAPMD-KZYLPZIUSA-N 3 0 279.472 2.643 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000903987321 621499509 /nfs/dbraw/zinc/49/95/09/621499509.db2.gz ZPVBMBQAVPLXFS-KNXWPPODSA-N 3 0 293.499 2.761 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000904307047 621569607 /nfs/dbraw/zinc/56/96/07/621569607.db2.gz JDTNKZPMFCGRCL-UONOGXRCSA-N 2 0 268.445 2.641 20 0 CFADRP CC[NH+](CC)CCN(Cc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303954 621569689 /nfs/dbraw/zinc/56/96/89/621569689.db2.gz NGZDIILBCBEAPR-GASCZTMLSA-N 2 0 295.496 2.629 20 0 CFADRP CC[NH+]1CCC(N(C)C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904306638 621569750 /nfs/dbraw/zinc/56/97/50/621569750.db2.gz BHVZQYPBFLLCFN-AWEZNQCLSA-N 2 0 269.477 2.556 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904312436 621570665 /nfs/dbraw/zinc/57/06/65/621570665.db2.gz PNVTXGDKWVDWFR-QGZVFWFLSA-N 2 0 276.424 2.777 20 0 CFADRP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCc2ccccc2C1 ZINC000904313648 621571463 /nfs/dbraw/zinc/57/14/63/621571463.db2.gz XNHFLUVBHASSSF-QGTPRVQTSA-N 2 0 272.436 2.993 20 0 CFADRP CCC[NH+]1CCC(N(C)C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904313609 621571605 /nfs/dbraw/zinc/57/16/05/621571605.db2.gz WWJLYEGMLOCOSZ-HNNXBMFYSA-N 2 0 283.504 2.946 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000904316536 621572407 /nfs/dbraw/zinc/57/24/07/621572407.db2.gz ONNHXCTZQUISPG-IXDOHACOSA-N 2 0 258.409 2.821 20 0 CFADRP C[C@]1(C[N@@H+]2CCCc3sccc3C2)CCC[NH2+]C1 ZINC000904318875 621572778 /nfs/dbraw/zinc/57/27/78/621572778.db2.gz YIUCSODJNHMARO-HNNXBMFYSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCc3sccc3C2)CCC[NH2+]C1 ZINC000904318876 621572879 /nfs/dbraw/zinc/57/28/79/621572879.db2.gz YIUCSODJNHMARO-OAHLLOKOSA-N 2 0 264.438 2.886 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCc2ccc(F)cc2)C2CC2)C1 ZINC000904320835 621573526 /nfs/dbraw/zinc/57/35/26/621573526.db2.gz PUVGPMUSGLGDAB-OTVXOJSOSA-N 2 0 262.372 2.570 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904322354 621574077 /nfs/dbraw/zinc/57/40/77/621574077.db2.gz WYCFHMVMOFSTOH-LXZKKBNFSA-N 2 0 273.424 2.627 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325264 621575508 /nfs/dbraw/zinc/57/55/08/621575508.db2.gz UPVYPTLYASHAOY-IXDOHACOSA-N 2 0 260.425 2.985 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904326980 621576362 /nfs/dbraw/zinc/57/63/62/621576362.db2.gz VPLFMJBFHSUAAM-CWRNSKLLSA-N 2 0 276.424 2.543 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(c3ccc(F)cc3F)CCC2)C1 ZINC000904329933 621576845 /nfs/dbraw/zinc/57/68/45/621576845.db2.gz VIQGKCYTXGBCFR-KLPPZKSPSA-N 2 0 266.335 2.671 20 0 CFADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000904331787 621577053 /nfs/dbraw/zinc/57/70/53/621577053.db2.gz LWSWANGQNUXTIR-FXUDXRNXSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342104 621577925 /nfs/dbraw/zinc/57/79/25/621577925.db2.gz XDJHJDPJZUGTJV-QSPRXWTASA-N 2 0 258.409 2.677 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342105 621578157 /nfs/dbraw/zinc/57/81/57/621578157.db2.gz XDJHJDPJZUGTJV-SIXLDLHFSA-N 2 0 258.409 2.677 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(F)(c3ccccc3)CC2)C1 ZINC000904342665 621578970 /nfs/dbraw/zinc/57/89/70/621578970.db2.gz MOYSZKZKCVVDGN-OTVXOJSOSA-N 2 0 262.372 2.685 20 0 CFADRP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347186 621579685 /nfs/dbraw/zinc/57/96/85/621579685.db2.gz DXDFHXQSQYCMJY-BBWFWOEESA-N 2 0 258.409 2.821 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904348543 621580376 /nfs/dbraw/zinc/58/03/76/621580376.db2.gz RKYXNUDUSFDORE-HACGYAERSA-N 2 0 274.408 2.742 20 0 CFADRP CO[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)[C@@H](C)C1 ZINC000904349973 621580578 /nfs/dbraw/zinc/58/05/78/621580578.db2.gz FNINSQQOHUEDOW-MELADBBJSA-N 2 0 256.434 2.639 20 0 CFADRP Fc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1C(F)F ZINC000904353608 621580882 /nfs/dbraw/zinc/58/08/82/621580882.db2.gz OLXFMACKGNECQN-JTQLQIEISA-N 2 0 272.314 2.853 20 0 CFADRP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1C(F)F ZINC000904353612 621581124 /nfs/dbraw/zinc/58/11/24/621581124.db2.gz OPSCBBYCVXOTRT-LLVKDONJSA-N 2 0 272.314 2.853 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000904360161 621582521 /nfs/dbraw/zinc/58/25/21/621582521.db2.gz IPTKHGARVQCSEL-XQLPTFJDSA-N 2 0 268.445 2.687 20 0 CFADRP COc1cccc(C2(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)CCCC2)c1 ZINC000904360689 621582907 /nfs/dbraw/zinc/58/29/07/621582907.db2.gz ODYVCLLUNAIWGP-FZNQNYSPSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@@]1(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000904360443 621583103 /nfs/dbraw/zinc/58/31/03/621583103.db2.gz KRVVXJYUWRWSIA-RTBURBONSA-N 2 0 298.430 2.853 20 0 CFADRP C[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)C1CCOCC1 ZINC000904361173 621583142 /nfs/dbraw/zinc/58/31/42/621583142.db2.gz WZXGGNWZPYTEFF-JSGCOSHPSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1nc(CC[NH2+]C[C@H]([NH3+])CCC(C)(C)C)cs1 ZINC000904367244 621583502 /nfs/dbraw/zinc/58/35/02/621583502.db2.gz XYYFJWPZUZDCID-GFCCVEGCSA-N 2 0 269.458 2.737 20 0 CFADRP CCOCc1ccccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904368208 621584132 /nfs/dbraw/zinc/58/41/32/621584132.db2.gz NVVFDPIXNWGKJB-KRWDZBQOSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]([NH3+])CCC(C)(C)C)CC[NH2+]CC2 ZINC000904373144 621584911 /nfs/dbraw/zinc/58/49/11/621584911.db2.gz BUJQJXODRRMPQE-LSDHHAIUSA-N 3 0 281.488 2.604 20 0 CFADRP C[C@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)Cc1cccs1 ZINC000904363691 621585344 /nfs/dbraw/zinc/58/53/44/621585344.db2.gz BIKZFQAQDDIVFC-DZGCQCFKSA-N 2 0 266.454 2.906 20 0 CFADRP CC(C)c1nc(CC[NH2+]C[C@]2(C)CCC[NH2+]C2)cs1 ZINC000904365846 621586133 /nfs/dbraw/zinc/58/61/33/621586133.db2.gz AGDZOTFLWKOVQZ-OAHLLOKOSA-N 2 0 281.469 2.788 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1C ZINC000904389763 621586426 /nfs/dbraw/zinc/58/64/26/621586426.db2.gz UDMVNXATIGZSSP-ZDUSSCGKSA-N 2 0 262.397 2.654 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCC[NH2+]C1 ZINC000904388526 621586475 /nfs/dbraw/zinc/58/64/75/621586475.db2.gz JIIFGUWGIZPDRD-VXGBXAGGSA-N 2 0 294.336 2.743 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccc4cccnc4n3)CC2)C1 ZINC000904376865 621587138 /nfs/dbraw/zinc/58/71/38/621587138.db2.gz YAQINDDAMKLHAK-AKAXFMLLSA-N 2 0 296.418 2.547 20 0 CFADRP C[C@@H]1C[NH+](C[C@]2(C)CCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000904379927 621587684 /nfs/dbraw/zinc/58/76/84/621587684.db2.gz FNAUTHHKKJXDDT-JHJVBQTASA-N 2 0 260.372 2.599 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904383943 621588132 /nfs/dbraw/zinc/58/81/32/621588132.db2.gz DNQIUXRNVBANPW-HPUBIQBYSA-N 3 0 283.504 2.993 20 0 CFADRP CC[C@](C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000904383636 621588222 /nfs/dbraw/zinc/58/82/22/621588222.db2.gz AQYGYIHYOYUQCO-GLQYFDAESA-N 2 0 250.361 2.778 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)C1 ZINC000904383664 621588270 /nfs/dbraw/zinc/58/82/70/621588270.db2.gz BXLFUDHQQMDTAF-VNQPRFMTSA-N 2 0 262.372 2.685 20 0 CFADRP [NH3+]CC1CC([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000904380450 621588319 /nfs/dbraw/zinc/58/83/19/621588319.db2.gz CHQVOQVGMXNTKD-WIQPZXRYSA-N 2 0 250.773 2.654 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1F ZINC000904405839 621590348 /nfs/dbraw/zinc/59/03/48/621590348.db2.gz QDUNYWVLYFVSEH-KGLIPLIRSA-N 2 0 294.414 2.684 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC000904409970 621591230 /nfs/dbraw/zinc/59/12/30/621591230.db2.gz LAWMGUMOOZUHAX-JQWIXIFHSA-N 2 0 270.779 2.896 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cc2c1 ZINC000904406149 621591353 /nfs/dbraw/zinc/59/13/53/621591353.db2.gz SCLCZDNZRGIGOM-LBPRGKRZSA-N 2 0 274.364 2.612 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904410329 621591645 /nfs/dbraw/zinc/59/16/45/621591645.db2.gz DSJVXLOXIBYWES-WFASDCNBSA-N 2 0 292.471 2.672 20 0 CFADRP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1-c1ccccc1 ZINC000904410541 621591663 /nfs/dbraw/zinc/59/16/63/621591663.db2.gz HGMTZDMVPRRCDW-HOCLYGCPSA-N 2 0 298.434 2.597 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410689 621591810 /nfs/dbraw/zinc/59/18/10/621591810.db2.gz FLQBNPLBEDUAIP-ZCGHOXCVSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1C[NH3+] ZINC000904411741 621592381 /nfs/dbraw/zinc/59/23/81/621592381.db2.gz XVYFUAFSZSNOTF-IWCQGFGOSA-N 2 0 258.409 2.707 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904410994 621592626 /nfs/dbraw/zinc/59/26/26/621592626.db2.gz IKZIKMRDZWAIKT-GOEBONIOSA-N 2 0 276.424 2.892 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc2cccnc12 ZINC000904411942 621593102 /nfs/dbraw/zinc/59/31/02/621593102.db2.gz QQBGUZSGCDYEBR-RHSMWYFYSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420409 621596085 /nfs/dbraw/zinc/59/60/85/621596085.db2.gz NLMJQQBHFZFNHM-BPQIPLTHSA-N 2 0 272.436 2.797 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2s1 ZINC000904420909 621596444 /nfs/dbraw/zinc/59/64/44/621596444.db2.gz YFKAGVYASZBRSD-UONOGXRCSA-N 2 0 287.432 2.646 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000904442099 621598872 /nfs/dbraw/zinc/59/88/72/621598872.db2.gz AGOYTSCVLZHTKU-UHFFFAOYSA-N 2 0 286.423 2.760 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CC[NH2+]1 ZINC000904474302 621601730 /nfs/dbraw/zinc/60/17/30/621601730.db2.gz XSWVWQLRSXUMIL-NCOADZHNSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)c1 ZINC000906157325 621935465 /nfs/dbraw/zinc/93/54/65/621935465.db2.gz DMDFJUSMHDICHF-MRXNPFEDSA-N 2 0 282.391 2.630 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000906510142 621994964 /nfs/dbraw/zinc/99/49/64/621994964.db2.gz NGESJNDTQRCTCY-UHFFFAOYSA-N 2 0 258.390 2.994 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1OCC(C)C ZINC000906508052 621995284 /nfs/dbraw/zinc/99/52/84/621995284.db2.gz JGCSMCDTHDELKY-SHTZXODSSA-N 2 0 292.423 2.699 20 0 CFADRP C[C@@H](C[NH2+]C1CC([NH3+])C1)c1cccc(Br)c1 ZINC000906509565 621995311 /nfs/dbraw/zinc/99/53/11/621995311.db2.gz JSXYDLSJYAUQFS-ALXWSUNGSA-N 2 0 283.213 2.632 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000906516744 621996152 /nfs/dbraw/zinc/99/61/52/621996152.db2.gz JSXYDLSJYAUQFS-OASPWFOLSA-N 2 0 283.213 2.632 20 0 CFADRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000820805524 622758987 /nfs/dbraw/zinc/75/89/87/622758987.db2.gz LKYJZPNODODVMD-ZXFUBFMLSA-N 2 0 286.419 2.943 20 0 CFADRP C[C@H]([NH2+]Cc1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000820805549 622759482 /nfs/dbraw/zinc/75/94/82/622759482.db2.gz MBNHFTMNBCTSRH-AWEZNQCLSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(C[NH+](C)C)c1 ZINC000820811653 622763155 /nfs/dbraw/zinc/76/31/55/622763155.db2.gz TXYYOAXKBBSWFJ-SOUVJXGZSA-N 2 0 278.440 2.806 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(C(C)(C)O)cc1 ZINC000924851665 622789780 /nfs/dbraw/zinc/78/97/80/622789780.db2.gz BWBGLILOJUHEOJ-CQSZACIVSA-N 2 0 278.440 2.906 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cncs1 ZINC000054769967 622920769 /nfs/dbraw/zinc/92/07/69/622920769.db2.gz MEKXHPWGKRECQU-GFCCVEGCSA-N 2 0 255.431 2.743 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cs1 ZINC000226312197 623066565 /nfs/dbraw/zinc/06/65/65/623066565.db2.gz ZNDPXNIIGHDEGH-GJZGRUSLSA-N 2 0 273.405 2.728 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000226391908 623071948 /nfs/dbraw/zinc/07/19/48/623071948.db2.gz DSHSUKSNPPVMJT-HNNXBMFYSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)OC ZINC000877113597 623087725 /nfs/dbraw/zinc/08/77/25/623087725.db2.gz CTLVWVWHOIOGLK-SLTXQBBLSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227537244 623112071 /nfs/dbraw/zinc/11/20/71/623112071.db2.gz WVBKGUBJIQOYTE-HFBAOOFYSA-N 2 0 256.349 2.945 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000062862645 623300505 /nfs/dbraw/zinc/30/05/05/623300505.db2.gz FYBSEFDRBWSSOH-YGRLFVJLSA-N 2 0 267.442 2.800 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000842471721 623473796 /nfs/dbraw/zinc/47/37/96/623473796.db2.gz VDWJPISKTTVXSV-QGZVFWFLSA-N 2 0 276.424 2.969 20 0 CFADRP C[N@@H+](Cc1ccccc1CF)C[C@@H]1CCC[NH+](C)C1 ZINC000929699782 623517236 /nfs/dbraw/zinc/51/72/36/623517236.db2.gz UFXLKELYXIRJKQ-CQSZACIVSA-N 2 0 264.388 2.930 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC(C)(C)C1 ZINC000075771732 623520338 /nfs/dbraw/zinc/52/03/38/623520338.db2.gz UFBZTHHRKBVILC-RDJZCZTQSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC000929747524 623543994 /nfs/dbraw/zinc/54/39/94/623543994.db2.gz DYUUTVRJXWNBFH-KRWDZBQOSA-N 2 0 275.440 2.678 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000824988455 623600460 /nfs/dbraw/zinc/60/04/60/623600460.db2.gz LPNVFECBKMYWMO-MKXAEBJUSA-N 2 0 280.456 2.652 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000929791306 623688782 /nfs/dbraw/zinc/68/87/82/623688782.db2.gz RLZWNFLGEBRHMC-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP c1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2c(c1)CCCN2 ZINC000227159889 623885671 /nfs/dbraw/zinc/88/56/71/623885671.db2.gz LGTYKXLTGLRIJL-SJORKVTESA-N 2 0 285.435 2.761 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000829233746 624405774 /nfs/dbraw/zinc/40/57/74/624405774.db2.gz FTWKIGWUEBHSDS-NEPJUHHUSA-N 2 0 279.255 2.986 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000930060889 624531847 /nfs/dbraw/zinc/53/18/47/624531847.db2.gz NPNIJNKBDVDJJV-BQFCYCMXSA-N 2 0 294.483 2.854 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1OC ZINC000925471282 624606174 /nfs/dbraw/zinc/60/61/74/624606174.db2.gz BOHIPDUEOVXAPD-ZIAGYGMSSA-N 2 0 292.423 2.699 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925481715 624755848 /nfs/dbraw/zinc/75/58/48/624755848.db2.gz JWOLQOVBIQACET-IJEWVQPXSA-N 2 0 276.424 2.524 20 0 CFADRP Cn1cc(CNCC(C)(C)C[NH+](C)C)c(C2CCCC2)n1 ZINC000921470391 624887693 /nfs/dbraw/zinc/88/76/93/624887693.db2.gz BTXTYPQTEYMISO-UHFFFAOYSA-N 2 0 292.471 2.755 20 0 CFADRP C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762003 625772983 /nfs/dbraw/zinc/77/29/83/625772983.db2.gz ABJIPAJZYTZORL-HOTGVXAUSA-N 2 0 294.483 2.924 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921504407 625786357 /nfs/dbraw/zinc/78/63/57/625786357.db2.gz YOLABNMQZHDDPG-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC[N@@H+]1C ZINC000834882753 625908526 /nfs/dbraw/zinc/90/85/26/625908526.db2.gz ASVQFPPASOSARL-OUAUKWLOSA-N 2 0 265.228 2.643 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C1CC[NH+](C)CC1 ZINC000834883500 625908798 /nfs/dbraw/zinc/90/87/98/625908798.db2.gz FXNYZXZJQMBYLH-JQWIXIFHSA-N 2 0 279.255 2.890 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc3c2OCC3)c1 ZINC000921513378 625962858 /nfs/dbraw/zinc/96/28/58/625962858.db2.gz IUCHZGIHXMIMSD-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921517675 625967362 /nfs/dbraw/zinc/96/73/62/625967362.db2.gz DWMFJMPUTNOUDE-SOLBZPMBSA-N 2 0 294.483 2.902 20 0 CFADRP Cn1nc2c(c1C[NH2+]CCCCCCC[NH+](C)C)CCC2 ZINC000921599227 625993579 /nfs/dbraw/zinc/99/35/79/625993579.db2.gz QGJAJOQYOQDYLP-UHFFFAOYSA-N 2 0 292.471 2.511 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000921617286 625994259 /nfs/dbraw/zinc/99/42/59/625994259.db2.gz CHJOLTDYUFCTPZ-SOUVJXGZSA-N 2 0 270.486 2.981 20 0 CFADRP CC[N@@H+]1CCC[C@H](CNCc2nccc3c2CCCC3)C1 ZINC000921623512 626000344 /nfs/dbraw/zinc/00/03/44/626000344.db2.gz GMPQGMGIKZGPIV-OAHLLOKOSA-N 2 0 287.451 2.782 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](SC)C2)CC1 ZINC000921686841 626079225 /nfs/dbraw/zinc/07/92/25/626079225.db2.gz PSVAILSDHFJTGN-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)[C@H](C)C1 ZINC000921795320 626126015 /nfs/dbraw/zinc/12/60/15/626126015.db2.gz VLRFXSARZGPNOR-CPUCHLNUSA-N 2 0 288.435 2.830 20 0 CFADRP CC(C)(C)c1coc(CNCCCNc2ccccn2)n1 ZINC000921820795 626144798 /nfs/dbraw/zinc/14/47/98/626144798.db2.gz BIRJMHSPUYFOON-UHFFFAOYSA-N 2 0 288.395 2.959 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000921825088 626147905 /nfs/dbraw/zinc/14/79/05/626147905.db2.gz CNAPSYPHEPZBKT-RRFJBIMHSA-N 2 0 288.501 2.607 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000921967989 626187968 /nfs/dbraw/zinc/18/79/68/626187968.db2.gz KCSDCSHAKLUOJA-UONOGXRCSA-N 2 0 254.443 2.512 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000921978402 626189822 /nfs/dbraw/zinc/18/98/22/626189822.db2.gz IZYWGRODGMKXKF-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2O1 ZINC000922165000 626228179 /nfs/dbraw/zinc/22/81/79/626228179.db2.gz UVMRTCKBFHJYEQ-RJCAOGMDSA-N 2 0 286.419 2.725 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000922192148 626236700 /nfs/dbraw/zinc/23/67/00/626236700.db2.gz JJWPVNFUDZZAMO-UHFFFAOYSA-N 2 0 276.428 2.571 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]C3CCC([NH+](C)C)CC3)ccc2O1 ZINC000922192764 626236982 /nfs/dbraw/zinc/23/69/82/626236982.db2.gz WECOVAOJUXESPG-NVPAJSRCSA-N 2 0 288.435 2.972 20 0 CFADRP COC[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000929278382 626237193 /nfs/dbraw/zinc/23/71/93/626237193.db2.gz XKRWVXLMLHSLFG-KRWDZBQOSA-N 2 0 282.472 2.713 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000922285166 626259133 /nfs/dbraw/zinc/25/91/33/626259133.db2.gz WPROEULVGYSSKO-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000922285167 626259336 /nfs/dbraw/zinc/25/93/36/626259336.db2.gz WPROEULVGYSSKO-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)ccc2O1 ZINC000922284160 626259522 /nfs/dbraw/zinc/25/95/22/626259522.db2.gz NUHZFPSWEPXQKV-GDBMZVCRSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)ccc2O1 ZINC000922284163 626259624 /nfs/dbraw/zinc/25/96/24/626259624.db2.gz NUHZFPSWEPXQKV-GOEBONIOSA-N 2 0 288.435 2.832 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000922317917 626268169 /nfs/dbraw/zinc/26/81/69/626268169.db2.gz LMEGVGONMVFZCY-UHFFFAOYSA-N 2 0 298.862 2.978 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851727654 634493290 /nfs/dbraw/zinc/49/32/90/634493290.db2.gz UMDBITGIKJPDOT-INIZCTEOSA-N 2 0 298.471 2.582 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCOC(F)F)CC1 ZINC000851731451 634495741 /nfs/dbraw/zinc/49/57/41/634495741.db2.gz QRHCCQWLEBYHSX-UHFFFAOYSA-N 2 0 278.387 2.670 20 0 CFADRP c1cn(-c2ccc(C[NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)cc2)cn1 ZINC000922723490 626353246 /nfs/dbraw/zinc/35/32/46/626353246.db2.gz MQWFKRRXZWJVSE-JZXOWHBKSA-N 2 0 295.386 2.553 20 0 CFADRP CCO[C@H](CNCc1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000922757399 626358936 /nfs/dbraw/zinc/35/89/36/626358936.db2.gz GDGLUKIWKCCFNR-GFCCVEGCSA-N 2 0 288.794 2.535 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCCCCCC1 ZINC000186578488 626363941 /nfs/dbraw/zinc/36/39/41/626363941.db2.gz AZGBKKKMNZIFJY-INIZCTEOSA-N 2 0 281.488 2.715 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCS1 ZINC000922836836 626376435 /nfs/dbraw/zinc/37/64/35/626376435.db2.gz DSSSUDMIFMODBY-OLZOCXBDSA-N 2 0 288.420 2.641 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc3nccn32)CC1 ZINC000922846708 626379478 /nfs/dbraw/zinc/37/94/78/626379478.db2.gz GNRAGWLLBCZDAM-UHFFFAOYSA-N 2 0 298.434 2.831 20 0 CFADRP Cc1nc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cs1 ZINC000922848505 626379856 /nfs/dbraw/zinc/37/98/56/626379856.db2.gz VBYKGZVWXVPSAN-UHFFFAOYSA-N 2 0 279.453 2.948 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(Cl)n1 ZINC000321305658 626383357 /nfs/dbraw/zinc/38/33/57/626383357.db2.gz LGRRLTHOVCNTBG-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP Cc1cccc([C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000929327711 626399266 /nfs/dbraw/zinc/39/92/66/626399266.db2.gz MGXIBAOEOAIOPT-SFHVURJKSA-N 2 0 290.451 2.692 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922952685 626429714 /nfs/dbraw/zinc/42/97/14/626429714.db2.gz HBYWXKFCIBNBAU-SZMVWBNQSA-N 2 0 292.467 2.822 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922952682 626429786 /nfs/dbraw/zinc/42/97/86/626429786.db2.gz HBYWXKFCIBNBAU-RYQLBKOJSA-N 2 0 292.467 2.822 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303703 626464536 /nfs/dbraw/zinc/46/45/36/626464536.db2.gz ISQJTYKMTJMJPD-SWLSCSKDSA-N 2 0 294.826 2.711 20 0 CFADRP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923312407 626464703 /nfs/dbraw/zinc/46/47/03/626464703.db2.gz KTBQTAPKEPEFFP-MSOLQXFVSA-N 2 0 288.435 2.717 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)c(C)c1 ZINC000923305304 626465010 /nfs/dbraw/zinc/46/50/10/626465010.db2.gz XDGOGZHZTZLIGZ-HOTGVXAUSA-N 2 0 288.435 2.675 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923314382 626465270 /nfs/dbraw/zinc/46/52/70/626465270.db2.gz VDNBIZHNTLFYKI-AWEZNQCLSA-N 2 0 274.408 2.627 20 0 CFADRP CCC[N@H+](CCC[NH2+]C1CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000923313651 626465390 /nfs/dbraw/zinc/46/53/90/626465390.db2.gz IWRODRCTODDYPH-ARFHVFGLSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000923328880 626466099 /nfs/dbraw/zinc/46/60/99/626466099.db2.gz XWZWVTZIRCBCBZ-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329463 626466199 /nfs/dbraw/zinc/46/61/99/626466199.db2.gz JWKPRPGLHMGBBZ-IKGGRYGDSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327234 626466714 /nfs/dbraw/zinc/46/67/14/626466714.db2.gz QVKUJKWSZJFANE-KCBNDJSGSA-N 2 0 293.499 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000923325429 626466856 /nfs/dbraw/zinc/46/68/56/626466856.db2.gz UKYRQAFNXDTMIU-QCLGFWRNSA-N 3 0 293.499 2.569 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358879 626468342 /nfs/dbraw/zinc/46/83/42/626468342.db2.gz MDGBPKIMEWRBKG-LSDHHAIUSA-N 2 0 291.439 2.757 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358876 626468419 /nfs/dbraw/zinc/46/84/19/626468419.db2.gz MDGBPKIMEWRBKG-CABCVRRESA-N 2 0 291.439 2.757 20 0 CFADRP Fc1cccc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923355983 626468562 /nfs/dbraw/zinc/46/85/62/626468562.db2.gz CPLDZODRVBMTCR-MRXNPFEDSA-N 2 0 276.399 2.690 20 0 CFADRP c1cn(CCCC2CC[NH+](CCC[NH2+]C3CC3)CC2)cn1 ZINC000923374523 626469297 /nfs/dbraw/zinc/46/92/97/626469297.db2.gz ZDXCDKMWLIOCSQ-UHFFFAOYSA-N 2 0 290.455 2.517 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923362932 626469392 /nfs/dbraw/zinc/46/93/92/626469392.db2.gz QVOAXJCSKJLBPS-HOTGVXAUSA-N 2 0 276.399 2.690 20 0 CFADRP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923390490 626469982 /nfs/dbraw/zinc/46/99/82/626469982.db2.gz SOPDNHUEIMPZQG-BZUAXINKSA-N 2 0 270.461 2.623 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422393 626471645 /nfs/dbraw/zinc/47/16/45/626471645.db2.gz QYRNCHYPIUHJDK-YJBOKZPZSA-N 3 0 293.499 2.748 20 0 CFADRP C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1CC[NH3+] ZINC000923429144 626472338 /nfs/dbraw/zinc/47/23/38/626472338.db2.gz QMLTXQKTJVXXPZ-UKRRQHHQSA-N 2 0 250.430 2.874 20 0 CFADRP [NH3+]C[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000923428681 626472423 /nfs/dbraw/zinc/47/24/23/626472423.db2.gz YLISDMCBFNETNK-YNBOMUFVSA-N 2 0 299.462 2.860 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923448027 626473389 /nfs/dbraw/zinc/47/33/89/626473389.db2.gz ZXQJEKFGXLPTNE-QGZVFWFLSA-N 2 0 288.435 2.579 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448463 626473418 /nfs/dbraw/zinc/47/34/18/626473418.db2.gz CMHCRLMDLGWORC-DLBZAZTESA-N 2 0 288.435 2.968 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448466 626473493 /nfs/dbraw/zinc/47/34/93/626473493.db2.gz CMHCRLMDLGWORC-SJORKVTESA-N 2 0 288.435 2.968 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000923448026 626473507 /nfs/dbraw/zinc/47/35/07/626473507.db2.gz ZXQJEKFGXLPTNE-KRWDZBQOSA-N 2 0 288.435 2.579 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923457638 626473595 /nfs/dbraw/zinc/47/35/95/626473595.db2.gz WQXHMPRUZBQRDD-QGZVFWFLSA-N 2 0 288.435 2.633 20 0 CFADRP CC(C)(C)c1cc2n(n1)CC[N@H+](CCCCCC[NH3+])C2 ZINC000923441908 626473602 /nfs/dbraw/zinc/47/36/02/626473602.db2.gz QFVRVQWPQSHKOL-UHFFFAOYSA-N 2 0 278.444 2.515 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCCC(F)(F)F)CC2 ZINC000923453496 626474191 /nfs/dbraw/zinc/47/41/91/626474191.db2.gz XJRVHKTWQAENSX-LBPRGKRZSA-N 2 0 294.361 2.549 20 0 CFADRP [NH3+]CC[C@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000923480142 626475902 /nfs/dbraw/zinc/47/59/02/626475902.db2.gz FTUYJVAIHLGCMA-NHYWBVRUSA-N 2 0 264.800 2.998 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000923479858 626475992 /nfs/dbraw/zinc/47/59/92/626475992.db2.gz DQHVZTQYQVXPSH-NSHDSACASA-N 2 0 286.391 2.728 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1Cl ZINC000923480981 626476028 /nfs/dbraw/zinc/47/60/28/626476028.db2.gz NGGAODYZLXTPQK-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000923481907 626476196 /nfs/dbraw/zinc/47/61/96/626476196.db2.gz VAERERJYZHMGBV-LLVKDONJSA-N 2 0 286.778 2.529 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1C[NH3+] ZINC000923495635 626476378 /nfs/dbraw/zinc/47/63/78/626476378.db2.gz DCHXOYXJVCIICK-JSGCOSHPSA-N 2 0 258.365 2.850 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@@H]1C[NH3+] ZINC000923496253 626476503 /nfs/dbraw/zinc/47/65/03/626476503.db2.gz GXVFWAFTSKXFDR-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923489433 626476520 /nfs/dbraw/zinc/47/65/20/626476520.db2.gz JXYMONVJHMHCLE-QWRGUYRKSA-N 2 0 287.329 2.517 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1Cl ZINC000923488772 626476554 /nfs/dbraw/zinc/47/65/54/626476554.db2.gz GSMJDZFOWCFMAE-NEPJUHHUSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923496421 626476594 /nfs/dbraw/zinc/47/65/94/626476594.db2.gz IBQZDWCJKFERJN-WCQYABFASA-N 2 0 284.350 2.705 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)CC[C@@H]1C[NH3+] ZINC000923492967 626476710 /nfs/dbraw/zinc/47/67/10/626476710.db2.gz ZWBLAMJZYMMFJT-UPJWGTAASA-N 2 0 260.372 2.729 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@H]1C[NH3+] ZINC000923490986 626476722 /nfs/dbraw/zinc/47/67/22/626476722.db2.gz POPFHTPLLMEBSU-KBPBESRZSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@H]1C[NH3+] ZINC000923494491 626476948 /nfs/dbraw/zinc/47/69/48/626476948.db2.gz XXRKBSZVQBYSQD-ZFWWWQNUSA-N 2 0 250.430 2.874 20 0 CFADRP C[C@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923502405 626476966 /nfs/dbraw/zinc/47/69/66/626476966.db2.gz XFEDSOJFEPHKCW-RYUDHWBXSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@H]1C[NH3+] ZINC000923502038 626476977 /nfs/dbraw/zinc/47/69/77/626476977.db2.gz WHXXCILAQNGNTO-NEPJUHHUSA-N 2 0 275.421 2.713 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)CC[C@@H]1C[NH3+] ZINC000923497831 626477078 /nfs/dbraw/zinc/47/70/78/626477078.db2.gz MNDMAWPGWVGBPQ-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1SC ZINC000923498895 626477102 /nfs/dbraw/zinc/47/71/02/626477102.db2.gz QPXIJKBIGUPWJF-TZMCWYRMSA-N 2 0 294.464 2.834 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@H]1C[NH3+] ZINC000923497869 626477109 /nfs/dbraw/zinc/47/71/09/626477109.db2.gz MWAIZIVSKQMZBH-HIFRSBDPSA-N 2 0 285.391 2.758 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000923496962 626477217 /nfs/dbraw/zinc/47/72/17/626477217.db2.gz DBECXIFICFTHJA-DZGCQCFKSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923500232 626477287 /nfs/dbraw/zinc/47/72/87/626477287.db2.gz VRWIQHHQLULCSV-VXGBXAGGSA-N 2 0 284.806 2.938 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500268 626477418 /nfs/dbraw/zinc/47/74/18/626477418.db2.gz NCXIFLLVBQBHRO-TZMCWYRMSA-N 2 0 299.418 2.576 20 0 CFADRP c1cncc(CC[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923506882 626477943 /nfs/dbraw/zinc/47/79/43/626477943.db2.gz LQPKCQUWRUOEBE-KRWDZBQOSA-N 2 0 287.451 2.726 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923511132 626478112 /nfs/dbraw/zinc/47/81/12/626478112.db2.gz ZNCNVMAUWRCZOO-RYUDHWBXSA-N 2 0 252.789 2.757 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519800 626478436 /nfs/dbraw/zinc/47/84/36/626478436.db2.gz SYRPMQJRPFDIIZ-ZMSDIMECSA-N 2 0 256.393 2.605 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519973 626478486 /nfs/dbraw/zinc/47/84/86/626478486.db2.gz XVSPGELOHWYLRG-FPMFFAJLSA-N 2 0 296.361 2.890 20 0 CFADRP C(=C/[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525347 626478586 /nfs/dbraw/zinc/47/85/86/626478586.db2.gz FUAFWTINFKVXSH-LJFOUZCWSA-N 2 0 256.393 2.774 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923548997 626479342 /nfs/dbraw/zinc/47/93/42/626479342.db2.gz CXVWRLJVCGKCBK-GOSISDBHSA-N 2 0 294.483 2.905 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000838845031 626509942 /nfs/dbraw/zinc/50/99/42/626509942.db2.gz GQAFJYHSBGUBQJ-HUUCEWRRSA-N 2 0 298.471 2.770 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000838845032 626509985 /nfs/dbraw/zinc/50/99/85/626509985.db2.gz GQAFJYHSBGUBQJ-LSDHHAIUSA-N 2 0 298.471 2.770 20 0 CFADRP Cc1cc(C[NH2+]CCCCCCC[NH+](C)C)no1 ZINC000838915487 626513696 /nfs/dbraw/zinc/51/36/96/626513696.db2.gz KEHGXJPDPRZJNR-UHFFFAOYSA-N 2 0 253.390 2.585 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC3(CCC3)C2)C[C@H](C)O1 ZINC000838917351 626513752 /nfs/dbraw/zinc/51/37/52/626513752.db2.gz MOQUUVDDSKXOES-GASCZTMLSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Cl)n1 ZINC000839183145 626530008 /nfs/dbraw/zinc/53/00/08/626530008.db2.gz UQFFNZWDSMJSDE-ZDUSSCGKSA-N 2 0 281.831 2.865 20 0 CFADRP C[N@@H+]1CCCC12CCN(CC[C@H](O)c1ccccc1)CC2 ZINC000839534591 626546007 /nfs/dbraw/zinc/54/60/07/626546007.db2.gz CCUHAODKXWWKBL-KRWDZBQOSA-N 2 0 288.435 2.670 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000759379979 626652036 /nfs/dbraw/zinc/65/20/36/626652036.db2.gz ORSGCROOYLAWNX-HOTGVXAUSA-N 2 0 270.461 2.591 20 0 CFADRP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000851778052 634523850 /nfs/dbraw/zinc/52/38/50/634523850.db2.gz DRNHWMFBSRRXEC-HRCADAONSA-N 2 0 266.429 2.504 20 0 CFADRP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000851778053 634524117 /nfs/dbraw/zinc/52/41/17/634524117.db2.gz DRNHWMFBSRRXEC-OWCLPIDISA-N 2 0 266.429 2.504 20 0 CFADRP Cc1cc(CN2CCC[C@H]([NH+](C)C)CC2)c(C)o1 ZINC000763619571 627000935 /nfs/dbraw/zinc/00/09/35/627000935.db2.gz MBJZDNYUGCZKMB-HNNXBMFYSA-N 2 0 250.386 2.813 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2F)CC[N@@H+]1C ZINC000764924562 627106812 /nfs/dbraw/zinc/10/68/12/627106812.db2.gz CCDPMLPIXUGKLG-ZIAGYGMSSA-N 2 0 280.387 2.667 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3C2)[C@@H](C)C1 ZINC000765334608 627131363 /nfs/dbraw/zinc/13/13/63/627131363.db2.gz PQZFSSIRZOMEBT-ZOBUZTSGSA-N 2 0 288.435 2.558 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000765872263 627162259 /nfs/dbraw/zinc/16/22/59/627162259.db2.gz IODQSXYHMRWWLZ-WMLDXEAASA-N 2 0 258.409 2.914 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000766214521 627184894 /nfs/dbraw/zinc/18/48/94/627184894.db2.gz WXVWGNZZIYXOAU-ZDUSSCGKSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@H]1CCC[N@@H+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000766274875 627190162 /nfs/dbraw/zinc/19/01/62/627190162.db2.gz WOUMHJCNIPXVEH-INIZCTEOSA-N 2 0 293.499 2.857 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000768684758 627363916 /nfs/dbraw/zinc/36/39/16/627363916.db2.gz CFKCEFQGJSQWAP-UHFFFAOYSA-N 2 0 260.372 2.884 20 0 CFADRP FC(F)C1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000769492877 627447600 /nfs/dbraw/zinc/44/76/00/627447600.db2.gz PZLGOOAJUCSPSR-UHFFFAOYSA-N 2 0 258.356 2.637 20 0 CFADRP CC(C)OCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769532844 627453168 /nfs/dbraw/zinc/45/31/68/627453168.db2.gz KOBDXIAPUTVOJW-UHFFFAOYSA-N 2 0 264.413 2.605 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774171155 627897776 /nfs/dbraw/zinc/89/77/76/627897776.db2.gz YIRJSPABTSAOTR-OHRKKDJYSA-N 2 0 274.408 2.538 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000775437146 628026319 /nfs/dbraw/zinc/02/63/19/628026319.db2.gz GXQLJBHWROXKAN-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP CCOCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000775605709 628044849 /nfs/dbraw/zinc/04/48/49/628044849.db2.gz CSCUWWGZZFYLIP-UHFFFAOYSA-N 2 0 292.423 2.633 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCC3CCC3)C2)CC1 ZINC000852007377 634625682 /nfs/dbraw/zinc/62/56/82/634625682.db2.gz MOQVEFFPDNZARM-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnc(Cl)c1 ZINC000776169694 628110772 /nfs/dbraw/zinc/11/07/72/628110772.db2.gz WMQWACUYQRYNDK-LLVKDONJSA-N 2 0 265.788 2.648 20 0 CFADRP C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000779086307 628351504 /nfs/dbraw/zinc/35/15/04/628351504.db2.gz PTZGNMPWTPCBEB-CRAIPNDOSA-N 2 0 290.451 2.604 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000779340954 628375629 /nfs/dbraw/zinc/37/56/29/628375629.db2.gz NADCVQUKQGGGHL-INIZCTEOSA-N 2 0 290.451 2.923 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000779342901 628375718 /nfs/dbraw/zinc/37/57/18/628375718.db2.gz VMSCTECFAZBRSM-CVEARBPZSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@H](CCO)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000779419607 628379994 /nfs/dbraw/zinc/37/99/94/628379994.db2.gz WKCDVFHTZNQDCO-NUJGCVRESA-N 2 0 290.451 2.648 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)o1 ZINC000779985432 628424543 /nfs/dbraw/zinc/42/45/43/628424543.db2.gz DUZUYBIRYGEFIO-UHFFFAOYSA-N 2 0 250.386 2.718 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cnc1Cl ZINC000779987454 628425149 /nfs/dbraw/zinc/42/51/49/628425149.db2.gz XZBUECXZDLLPSD-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000783245177 628692628 /nfs/dbraw/zinc/69/26/28/628692628.db2.gz XWPUPIBPHQPOCI-RDTXWAMCSA-N 2 0 288.435 2.531 20 0 CFADRP CC(C)(C)OC1CC([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000783646582 628730278 /nfs/dbraw/zinc/73/02/78/628730278.db2.gz CGAJETIBNXLZAQ-UHFFFAOYSA-N 2 0 289.423 2.550 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000784534957 628825713 /nfs/dbraw/zinc/82/57/13/628825713.db2.gz YWGZSNTXLHCYRP-QZTJIDSGSA-N 2 0 295.515 2.820 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@H]2CCCO2)cc1 ZINC000786575802 628969389 /nfs/dbraw/zinc/96/93/89/628969389.db2.gz MZYFCNNGIOQGOG-QGZVFWFLSA-N 2 0 276.424 2.749 20 0 CFADRP COc1ccc(CCC[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000788478860 629073015 /nfs/dbraw/zinc/07/30/15/629073015.db2.gz KDRCMUNOKCYFDR-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788482429 629073262 /nfs/dbraw/zinc/07/32/62/629073262.db2.gz VZDDSSZSPSQEFP-KBMXLJTQSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788482427 629073319 /nfs/dbraw/zinc/07/33/19/629073319.db2.gz VZDDSSZSPSQEFP-FVQBIDKESA-N 2 0 250.430 2.981 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000791139030 629289476 /nfs/dbraw/zinc/28/94/76/629289476.db2.gz WJAOVZODBWTBAK-CYBMUJFWSA-N 2 0 277.412 2.558 20 0 CFADRP COc1ccc2c(NCC[N@H+]3CC=CCC3)cc[nH+]c2c1 ZINC000795252107 629753021 /nfs/dbraw/zinc/75/30/21/629753021.db2.gz NKQJIWSMFDWNTL-UHFFFAOYSA-N 2 0 283.375 2.917 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@@H](O)c2ccccc2)C[C@H]1C ZINC000795926277 629851324 /nfs/dbraw/zinc/85/13/24/629851324.db2.gz FFMRSCQNNLFFBC-KBAYOESNSA-N 2 0 290.451 2.915 20 0 CFADRP Cc1cnc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000799179357 630284217 /nfs/dbraw/zinc/28/42/17/630284217.db2.gz JJSPWNXPWABTJP-CQSZACIVSA-N 2 0 277.412 2.852 20 0 CFADRP Cn1c(Cl)cnc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000799336760 630300310 /nfs/dbraw/zinc/30/03/10/630300310.db2.gz PYDPDEFQBFLXFN-UHFFFAOYSA-N 2 0 298.862 2.819 20 0 CFADRP CCC(CC)CCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000852671531 634802711 /nfs/dbraw/zinc/80/27/11/634802711.db2.gz RWZCFFGJSHFAAN-INIZCTEOSA-N 2 0 270.461 2.591 20 0 CFADRP CCC(CC)CCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000852671532 634802836 /nfs/dbraw/zinc/80/28/36/634802836.db2.gz RWZCFFGJSHFAAN-MRXNPFEDSA-N 2 0 270.461 2.591 20 0 CFADRP CC(C)(C)SCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000801927019 630490178 /nfs/dbraw/zinc/49/01/78/630490178.db2.gz GAOKGVRPOWAZJY-UHFFFAOYSA-N 2 0 279.453 2.735 20 0 CFADRP CC[NH+](CC)CCCOC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803859356 630649555 /nfs/dbraw/zinc/64/95/55/630649555.db2.gz ZHWOWBFHYZHKKM-HNNXBMFYSA-N 2 0 284.444 2.526 20 0 CFADRP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000806678934 630829779 /nfs/dbraw/zinc/82/97/79/630829779.db2.gz BABYBSLHUTZFOD-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nn1 ZINC000840904632 631257418 /nfs/dbraw/zinc/25/74/18/631257418.db2.gz WUAXIWUIHUNUSK-UHFFFAOYSA-N 2 0 288.439 2.672 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CCSC2)cc1 ZINC000809738942 631275389 /nfs/dbraw/zinc/27/53/89/631275389.db2.gz QIOSLSIAMMXTPN-INIZCTEOSA-N 2 0 278.465 2.933 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)o1 ZINC000809767947 631285486 /nfs/dbraw/zinc/28/54/86/631285486.db2.gz YUIXLCQGWYYQRE-GDBMZVCRSA-N 2 0 262.397 2.813 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000841006126 631302539 /nfs/dbraw/zinc/30/25/39/631302539.db2.gz BGUIVJVSBHXZSK-WHOFXGATSA-N 2 0 263.385 2.508 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH2+]CC2)cc(C)c1OC(F)F ZINC000841027072 631309471 /nfs/dbraw/zinc/30/94/71/631309471.db2.gz VUDBZQVJLDSMKI-UHFFFAOYSA-N 2 0 284.350 2.746 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cnc1Cl ZINC000841030159 631311349 /nfs/dbraw/zinc/31/13/49/631311349.db2.gz KUFMWZMUDNNWKN-CHWSQXEVSA-N 2 0 267.804 2.651 20 0 CFADRP CC1(C)Cc2cc(CNC[C@@H]3CCCC[NH2+]3)ccc2O1 ZINC000841033592 631313559 /nfs/dbraw/zinc/31/35/59/631313559.db2.gz WNJGLXQVPMDKRJ-HNNXBMFYSA-N 2 0 274.408 2.632 20 0 CFADRP COc1cccc2cc(C[NH2+]CC[C@@H]3CC[NH2+]C3)oc21 ZINC000841036445 631314582 /nfs/dbraw/zinc/31/45/82/631314582.db2.gz NSXKCSLADZJEIF-LBPRGKRZSA-N 2 0 274.364 2.531 20 0 CFADRP CCOc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841035575 631315307 /nfs/dbraw/zinc/31/53/07/631315307.db2.gz KRUBZFSGQNJVJT-UHFFFAOYSA-N 2 0 284.403 2.876 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)ccc2O1 ZINC000841058541 631326009 /nfs/dbraw/zinc/32/60/09/631326009.db2.gz SLRCLZFXUXKRMI-GJZGRUSLSA-N 2 0 274.408 2.760 20 0 CFADRP COc1c(C)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1C ZINC000841073397 631331124 /nfs/dbraw/zinc/33/11/24/631331124.db2.gz SMSDXFHPJYYQGW-MRXNPFEDSA-N 2 0 276.424 2.934 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)oc21 ZINC000841085145 631333796 /nfs/dbraw/zinc/33/37/96/631333796.db2.gz VPTKBBPEKVIMQD-DGCLKSJQSA-N 2 0 274.364 2.658 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089536 631336658 /nfs/dbraw/zinc/33/66/58/631336658.db2.gz ODWBZQLNKVJRPN-INIZCTEOSA-N 2 0 281.403 2.999 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@H]13)CC[NH2+]2 ZINC000841088673 631336867 /nfs/dbraw/zinc/33/68/67/631336867.db2.gz BKUIZKWKQQYHSU-YIYPIFLZSA-N 2 0 298.521 2.630 20 0 CFADRP CC(C)[C@@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000840235628 631586481 /nfs/dbraw/zinc/58/64/81/631586481.db2.gz MZLRDDAPJXSMEU-HOTGVXAUSA-N 2 0 296.455 2.524 20 0 CFADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000842471866 631639121 /nfs/dbraw/zinc/63/91/21/631639121.db2.gz DJPYHZPKKUPHID-KBAYOESNSA-N 2 0 288.435 2.574 20 0 CFADRP CN1CC[C@H]([NH2+]CCCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000842478772 631642193 /nfs/dbraw/zinc/64/21/93/631642193.db2.gz OZXHTUFOAGHVTH-ROUUACIJSA-N 2 0 289.467 2.931 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)oc21 ZINC000843046824 631814208 /nfs/dbraw/zinc/81/42/08/631814208.db2.gz BLEBTYUKTQFNFF-GFCCVEGCSA-N 2 0 274.364 2.612 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CCC([NH3+])CC2)o1 ZINC000843054681 631818534 /nfs/dbraw/zinc/81/85/34/631818534.db2.gz BAECWSFWGMJTIR-UHFFFAOYSA-N 2 0 288.395 2.680 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000843125335 631843339 /nfs/dbraw/zinc/84/33/39/631843339.db2.gz SOJDROJYVIITIA-KBPBESRZSA-N 2 0 279.815 2.557 20 0 CFADRP COc1cc2c(cc1C[NH2+]CCCCCC[NH3+])O[C@H](C)C2 ZINC000843127721 631846533 /nfs/dbraw/zinc/84/65/33/631846533.db2.gz HKIDNTWIKLXHJJ-CYBMUJFWSA-N 2 0 292.423 2.627 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000843126842 631846849 /nfs/dbraw/zinc/84/68/49/631846849.db2.gz KBOAVIXZNHKCCD-UHFFFAOYSA-N 2 0 286.423 2.540 20 0 CFADRP COc1cc2c(cc1C[NH2+]CCCCCC[NH3+])O[C@@H](C)C2 ZINC000843127723 631846938 /nfs/dbraw/zinc/84/69/38/631846938.db2.gz HKIDNTWIKLXHJJ-ZDUSSCGKSA-N 2 0 292.423 2.627 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1C ZINC000843128134 631847440 /nfs/dbraw/zinc/84/74/40/631847440.db2.gz ICPWXLZFNGNAPM-CHWSQXEVSA-N 2 0 250.386 2.527 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1C ZINC000843128139 631847537 /nfs/dbraw/zinc/84/75/37/631847537.db2.gz ICPWXLZFNGNAPM-QWHCGFSZSA-N 2 0 250.386 2.527 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000843128438 631847689 /nfs/dbraw/zinc/84/76/89/631847689.db2.gz JOILVAHHHSCYMS-UHFFFAOYSA-N 2 0 290.386 2.620 20 0 CFADRP CCC[NH+](CCC)CCCc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000843152338 631865039 /nfs/dbraw/zinc/86/50/39/631865039.db2.gz FMNJGGFQIJAIRO-AWEZNQCLSA-N 2 0 282.432 2.780 20 0 CFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000843339897 631930701 /nfs/dbraw/zinc/93/07/01/631930701.db2.gz JGNOUNXPUPZZRA-JBLDHEPKSA-N 2 0 284.325 2.582 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000843340579 631931101 /nfs/dbraw/zinc/93/11/01/631931101.db2.gz BYYQYRBECXBJLG-AEFFLSMTSA-N 2 0 289.467 2.758 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843340474 631931108 /nfs/dbraw/zinc/93/11/08/631931108.db2.gz MZDJDLGRWCMHPT-BZUAXINKSA-N 2 0 258.409 2.781 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843340649 631931460 /nfs/dbraw/zinc/93/14/60/631931460.db2.gz CZMDZLLPNSNCEJ-KGLIPLIRSA-N 2 0 256.434 2.687 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000843340190 631931476 /nfs/dbraw/zinc/93/14/76/631931476.db2.gz OCPFUCMVJVVXDZ-JHJVBQTASA-N 2 0 279.815 2.521 20 0 CFADRP c1ccc(CSCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843341753 631932110 /nfs/dbraw/zinc/93/21/10/631932110.db2.gz GONPENHSSAHWLY-IXDOHACOSA-N 2 0 290.476 2.898 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843341643 631932344 /nfs/dbraw/zinc/93/23/44/631932344.db2.gz KTUHTVOZSDVLFO-GJZGRUSLSA-N 2 0 270.461 2.935 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843341972 631932728 /nfs/dbraw/zinc/93/27/28/631932728.db2.gz YVKFVSKQCJECOF-RBSFLKMASA-N 2 0 292.398 2.572 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CCCCCC[NH3+])C[C@@H]1OC ZINC000843343266 631933021 /nfs/dbraw/zinc/93/30/21/631933021.db2.gz YNVHXHQPLJFLBQ-KBPBESRZSA-N 2 0 256.434 2.689 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCCCCC[NH3+])cnn1C(C)C ZINC000843343331 631933509 /nfs/dbraw/zinc/93/35/09/631933509.db2.gz ZJMZEVSZFFHPNV-CYBMUJFWSA-N 2 0 266.433 2.942 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843343618 631933597 /nfs/dbraw/zinc/93/35/97/631933597.db2.gz WFULCOCFPIRZSZ-OAHLLOKOSA-N 2 0 291.439 2.821 20 0 CFADRP C[C@@H](NCC1([NH3+])CCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000843368423 631939107 /nfs/dbraw/zinc/93/91/07/631939107.db2.gz QOHADNXZRVTVRJ-CYBMUJFWSA-N 2 0 297.402 2.638 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000843385538 631942842 /nfs/dbraw/zinc/94/28/42/631942842.db2.gz OPMUEBVKMJIKMN-CYBMUJFWSA-N 2 0 279.815 2.557 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385413 631942928 /nfs/dbraw/zinc/94/29/28/631942928.db2.gz KXOQTPJJUWZPQX-OLZOCXBDSA-N 2 0 291.266 2.892 20 0 CFADRP COc1c(C)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1C ZINC000813784430 631959439 /nfs/dbraw/zinc/95/94/39/631959439.db2.gz CGGXLLPGIMWLCE-GFCCVEGCSA-N 2 0 264.413 2.599 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844164753 632130733 /nfs/dbraw/zinc/13/07/33/632130733.db2.gz KMSOFZWJQVYTDC-AWEZNQCLSA-N 2 0 289.423 2.911 20 0 CFADRP CN1CC[N@H+](CCCCCCC[NH3+])Cc2ccccc21 ZINC000844222136 632137851 /nfs/dbraw/zinc/13/78/51/632137851.db2.gz WNEFSTCUTYOBIO-UHFFFAOYSA-N 2 0 275.440 2.848 20 0 CFADRP Cn1nccc1[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000844222174 632137947 /nfs/dbraw/zinc/13/79/47/632137947.db2.gz ZAXZZKRALYUDSK-HNNXBMFYSA-N 2 0 278.444 2.509 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815558657 632288840 /nfs/dbraw/zinc/28/88/40/632288840.db2.gz KIEXVDRMPPGMTC-CQSZACIVSA-N 2 0 282.403 2.753 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(Cl)nc1 ZINC000844904159 632331705 /nfs/dbraw/zinc/33/17/05/632331705.db2.gz BWTNTOQOCOXHFJ-UHFFFAOYSA-N 2 0 275.783 2.744 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000844922946 632337537 /nfs/dbraw/zinc/33/75/37/632337537.db2.gz DPKXFRXDAUKZAY-KRWDZBQOSA-N 2 0 258.409 2.962 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cnn1-c1ccccc1 ZINC000844923849 632338218 /nfs/dbraw/zinc/33/82/18/632338218.db2.gz UQGSLQGBYFDVQO-CQSZACIVSA-N 2 0 298.434 2.960 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N(C)C[C@H]1CCC[N@@H+]1C ZINC000817131932 632563418 /nfs/dbraw/zinc/56/34/18/632563418.db2.gz VZUUVRQLZNPKTJ-CYBMUJFWSA-N 2 0 285.391 2.774 20 0 CFADRP Cc1nc(C)c(CNCCC[N@@H+](C)CC(C)C)s1 ZINC000845996868 632609869 /nfs/dbraw/zinc/60/98/69/632609869.db2.gz SSHIWCMFLNXBPP-UHFFFAOYSA-N 2 0 269.458 2.827 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846035443 632619171 /nfs/dbraw/zinc/61/91/71/632619171.db2.gz HRWXMHSAQZDAPK-QAPCUYQASA-N 2 0 290.451 2.747 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000846218420 632663934 /nfs/dbraw/zinc/66/39/34/632663934.db2.gz UPNSSWGVQZLRMH-GOSISDBHSA-N 2 0 290.451 2.951 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CCCCCC[NH3+])C2 ZINC000846218246 632664189 /nfs/dbraw/zinc/66/41/89/632664189.db2.gz NVHIRVNQZUCYNO-UHFFFAOYSA-N 2 0 276.424 2.963 20 0 CFADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCCCCC[NH3+] ZINC000846218841 632664284 /nfs/dbraw/zinc/66/42/84/632664284.db2.gz YNDZHAFSNLSZJT-NVXWUHKLSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000846219172 632665348 /nfs/dbraw/zinc/66/53/48/632665348.db2.gz IYWUGOAKCYINJI-RDJZCZTQSA-N 2 0 276.424 2.968 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000846220366 632665593 /nfs/dbraw/zinc/66/55/93/632665593.db2.gz HIMWSQUYLRVIRB-KRWDZBQOSA-N 2 0 293.414 2.717 20 0 CFADRP CC[C@@](C)([NH2+]CCCCCC[NH3+])c1nccs1 ZINC000846219747 632665974 /nfs/dbraw/zinc/66/59/74/632665974.db2.gz GFYNFBYFFYEKRO-CYBMUJFWSA-N 2 0 255.431 2.877 20 0 CFADRP CC[N@H+](CCc1ccccn1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846222781 632666578 /nfs/dbraw/zinc/66/65/78/632666578.db2.gz ZOCHKZWWIUNGSX-UHFFFAOYSA-N 2 0 295.430 2.792 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOC1CCCCCC1)C2 ZINC000846224205 632667930 /nfs/dbraw/zinc/66/79/30/632667930.db2.gz GPHXCGXRFHJRBT-RDJZCZTQSA-N 2 0 280.456 2.787 20 0 CFADRP CCn1cc(C[N@H+](CCCCCC[NH3+])C(C)C)cn1 ZINC000846225249 632668367 /nfs/dbraw/zinc/66/83/67/632668367.db2.gz JZUMTXDCQNUXSC-UHFFFAOYSA-N 2 0 266.433 2.633 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817889903 632718830 /nfs/dbraw/zinc/71/88/30/632718830.db2.gz QGEDYWGIRDJUBL-RCCFBDPRSA-N 2 0 282.387 2.763 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000817894063 632719538 /nfs/dbraw/zinc/71/95/38/632719538.db2.gz XMZVTXOOXLCUNX-BPQIPLTHSA-N 2 0 290.451 2.929 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817894274 632719602 /nfs/dbraw/zinc/71/96/02/632719602.db2.gz LCYMYBZUQXGNQX-BHYGNILZSA-N 2 0 290.451 2.735 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000817893683 632719923 /nfs/dbraw/zinc/71/99/23/632719923.db2.gz UHDZTMPYBTVNHV-SCLBCKFNSA-N 2 0 299.418 2.541 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000817897088 632720694 /nfs/dbraw/zinc/72/06/94/632720694.db2.gz DTFRMYLJAKFAKD-ARLBYUKCSA-N 2 0 278.465 2.819 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000817897562 632721487 /nfs/dbraw/zinc/72/14/87/632721487.db2.gz RYFVUTOUQVKDPQ-XYJFISCASA-N 2 0 287.451 2.681 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000817897516 632721743 /nfs/dbraw/zinc/72/17/43/632721743.db2.gz RLWVFTJSLLVOML-SWLSCSKDSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817900926 632724210 /nfs/dbraw/zinc/72/42/10/632724210.db2.gz RGFAUEVYTVCMNJ-CPFNUKBASA-N 3 0 293.499 2.904 20 0 CFADRP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817905275 632728188 /nfs/dbraw/zinc/72/81/88/632728188.db2.gz LRZFWRAAGSOZJQ-SATMZBOOSA-N 2 0 292.398 2.510 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817905272 632728429 /nfs/dbraw/zinc/72/84/29/632728429.db2.gz LRZFWRAAGSOZJQ-BVHQHUIFSA-N 2 0 292.398 2.510 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904683 632728436 /nfs/dbraw/zinc/72/84/36/632728436.db2.gz GMHWHEIPZRORRE-LYSZQXJVSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000817908592 632729985 /nfs/dbraw/zinc/72/99/85/632729985.db2.gz SWMAGHXUXRXVKS-SDDRHHMPSA-N 2 0 254.805 2.986 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000817913995 632730788 /nfs/dbraw/zinc/73/07/88/632730788.db2.gz UYAYPAVHEQNALD-MQYQWHSLSA-N 2 0 282.453 2.667 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817911620 632731076 /nfs/dbraw/zinc/73/10/76/632731076.db2.gz BHIGUMBDZQCZSI-JKJDWNRSSA-N 2 0 292.423 2.602 20 0 CFADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817912152 632731386 /nfs/dbraw/zinc/73/13/86/632731386.db2.gz DWVXATDVUHWBLH-BLYZHGLHSA-N 2 0 282.453 2.667 20 0 CFADRP Cc1ncc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000817915965 632731902 /nfs/dbraw/zinc/73/19/02/632731902.db2.gz SPZIJKHFQLVPOC-MLGOLLRUSA-N 2 0 289.448 2.542 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000817914380 632732267 /nfs/dbraw/zinc/73/22/67/632732267.db2.gz VOZONSURTHLOGH-KBMXLJTQSA-N 2 0 296.480 2.856 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000817914757 632732499 /nfs/dbraw/zinc/73/24/99/632732499.db2.gz YUWFFIJQRVOFGC-YCPHGPKFSA-N 2 0 288.416 2.690 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817917641 632733383 /nfs/dbraw/zinc/73/33/83/632733383.db2.gz QPZWAZGSSHODFR-BRWVUGGUSA-N 2 0 288.435 2.750 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H](O)c1c(F)cccc1Cl ZINC000817918198 632733568 /nfs/dbraw/zinc/73/35/68/632733568.db2.gz JVWSGGQYNIMPNE-RZGXBDKHSA-N 2 0 288.794 2.616 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817918946 632734673 /nfs/dbraw/zinc/73/46/73/632734673.db2.gz ZYGBJYCUVSUAGD-BBWFWOEESA-N 2 0 288.435 2.607 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)CCC2 ZINC000817921516 632734720 /nfs/dbraw/zinc/73/47/20/632734720.db2.gz AFJCOHCLZSBZIZ-VHRBIJSZSA-N 2 0 279.453 2.807 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817923259 632736843 /nfs/dbraw/zinc/73/68/43/632736843.db2.gz VKBOVJQKQDCRPR-FAEJEUNOSA-N 2 0 290.451 2.924 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817926795 632738031 /nfs/dbraw/zinc/73/80/31/632738031.db2.gz VXJZFPLZSAPFAH-ULQDDVLXSA-N 2 0 286.350 2.594 20 0 CFADRP CC(C)[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)c1ccccc1 ZINC000817927379 632738942 /nfs/dbraw/zinc/73/89/42/632738942.db2.gz KCAKJPYACUQHKH-DQVOVIAYSA-N 2 0 290.451 2.852 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817929448 632740014 /nfs/dbraw/zinc/74/00/14/632740014.db2.gz ICULTJIGRAKYGK-AAEUAGOBSA-N 2 0 267.804 2.651 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000817929805 632740099 /nfs/dbraw/zinc/74/00/99/632740099.db2.gz KLZCBKHGJGKIGM-YESZJQIVSA-N 2 0 276.424 2.586 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817936125 632741680 /nfs/dbraw/zinc/74/16/80/632741680.db2.gz GPWDYWITXPUWFI-VWYCJHECSA-N 2 0 265.228 2.548 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817936122 632741700 /nfs/dbraw/zinc/74/17/00/632741700.db2.gz GPWDYWITXPUWFI-MXWKQRLJSA-N 2 0 265.228 2.548 20 0 CFADRP C[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936416 632741840 /nfs/dbraw/zinc/74/18/40/632741840.db2.gz JZYHYQRZHMMKHF-MXWKQRLJSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000817946808 632748829 /nfs/dbraw/zinc/74/88/29/632748829.db2.gz FCDRMWZOIJVDIA-UPJWGTAASA-N 2 0 258.475 2.884 20 0 CFADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947918 632749145 /nfs/dbraw/zinc/74/91/45/632749145.db2.gz FKHYITNJAMXQCV-ZACQAIPSSA-N 2 0 258.409 2.856 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947252 632749855 /nfs/dbraw/zinc/74/98/55/632749855.db2.gz AXBRYFFJVDUSAF-CQSZACIVSA-N 2 0 272.392 2.892 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817948693 632750467 /nfs/dbraw/zinc/75/04/67/632750467.db2.gz KLUVEZLRAJAYEF-GOSISDBHSA-N 2 0 299.393 2.963 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000817949533 632750691 /nfs/dbraw/zinc/75/06/91/632750691.db2.gz RZEGICUZEZSSKO-KRWDZBQOSA-N 2 0 288.435 2.627 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1C ZINC000817953827 632753862 /nfs/dbraw/zinc/75/38/62/632753862.db2.gz URNPKWVTYOTWMC-STQMWFEESA-N 2 0 250.386 2.700 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817955336 632754330 /nfs/dbraw/zinc/75/43/30/632754330.db2.gz VVHBXROLDUYZLQ-CJNGLKHVSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000817965582 632763982 /nfs/dbraw/zinc/76/39/82/632763982.db2.gz AKKLMZWNXLUDFA-TZMCWYRMSA-N 2 0 258.475 2.886 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000817966516 632765244 /nfs/dbraw/zinc/76/52/44/632765244.db2.gz PJQAMKTYQYCJFV-DLBZAZTESA-N 2 0 258.409 2.962 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C1 ZINC000817970404 632769021 /nfs/dbraw/zinc/76/90/21/632769021.db2.gz UVCVDLDZCWEBMT-PBHCIXSXSA-N 2 0 288.435 2.676 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000817970709 632769916 /nfs/dbraw/zinc/76/99/16/632769916.db2.gz CPXMFNVVIMLWAS-SGMGOOAPSA-N 2 0 250.361 2.925 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000817972461 632772188 /nfs/dbraw/zinc/77/21/88/632772188.db2.gz XUIODQLRCXCGHD-MAZHCROVSA-N 2 0 274.408 2.803 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)nc1 ZINC000817976351 632774321 /nfs/dbraw/zinc/77/43/21/632774321.db2.gz KMZBMUGMTVNDQJ-JQWIXIFHSA-N 2 0 265.788 2.528 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cnn1-c1ccccc1 ZINC000817982493 632778812 /nfs/dbraw/zinc/77/88/12/632778812.db2.gz TZALWTNBBSCCNK-NUEKZKHPSA-N 2 0 298.434 2.959 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)nc1 ZINC000817981706 632778907 /nfs/dbraw/zinc/77/89/07/632778907.db2.gz MZIPIHDPQNAXAD-NHCYSSNCSA-N 2 0 298.228 2.622 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cnn1-c1ccccc1 ZINC000817982491 632778920 /nfs/dbraw/zinc/77/89/20/632778920.db2.gz TZALWTNBBSCCNK-CWRNSKLLSA-N 2 0 298.434 2.959 20 0 CFADRP C[NH+](C)CCc1ccc(NCC2CC[NH+](C)CC2)cc1 ZINC000846747927 632782459 /nfs/dbraw/zinc/78/24/59/632782459.db2.gz ZVORRZXFEVIMQR-UHFFFAOYSA-N 2 0 275.440 2.544 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000846845490 632820293 /nfs/dbraw/zinc/82/02/93/632820293.db2.gz WYHKAMHBYIXOFY-MRXNPFEDSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000818953443 632914707 /nfs/dbraw/zinc/91/47/07/632914707.db2.gz MGMHJFXLZDLUGM-GOSISDBHSA-N 2 0 284.403 2.571 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CC2(O)CCCCC2)C1 ZINC000818959538 632915807 /nfs/dbraw/zinc/91/58/07/632915807.db2.gz NNRDUUZISDNSNG-INIZCTEOSA-N 2 0 282.472 2.783 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000818959875 632915927 /nfs/dbraw/zinc/91/59/27/632915927.db2.gz VFZDIODDJKNXTJ-SJLPKXTDSA-N 2 0 290.451 2.822 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC1(O)CCCCC1 ZINC000818960426 632916494 /nfs/dbraw/zinc/91/64/94/632916494.db2.gz ZAJVYTGMERJHSU-MRXNPFEDSA-N 2 0 282.472 2.926 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000818968682 632917710 /nfs/dbraw/zinc/91/77/10/632917710.db2.gz FCPZXOYOEIIXBL-YJBOKZPZSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000818967580 632917760 /nfs/dbraw/zinc/91/77/60/632917760.db2.gz WJPZNFUGEHWPSA-FUHWJXTLSA-N 2 0 290.451 2.658 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000818974050 632918151 /nfs/dbraw/zinc/91/81/51/632918151.db2.gz CGTAQUVLFJTTDG-SFHVURJKSA-N 2 0 290.451 2.658 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000818984220 632921950 /nfs/dbraw/zinc/92/19/50/632921950.db2.gz AWMZUGYUXIGFLL-PBHICJAKSA-N 2 0 294.414 2.569 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819106894 632966722 /nfs/dbraw/zinc/96/67/22/632966722.db2.gz RKDAITHEXDINPR-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000819115299 632970649 /nfs/dbraw/zinc/97/06/49/632970649.db2.gz HSEITNDWWUBHHW-HMQMGEFJSA-N 2 0 282.472 2.923 20 0 CFADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000819227789 633028926 /nfs/dbraw/zinc/02/89/26/633028926.db2.gz FCAXSQLKMDSSHU-RHSMWYFYSA-N 2 0 294.414 2.713 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCC[N@@H+](C)C2CC2)c1 ZINC000819362718 633111607 /nfs/dbraw/zinc/11/16/07/633111607.db2.gz QQSYDZWEWOLDCM-SFHVURJKSA-N 2 0 290.451 2.801 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000857254067 635957106 /nfs/dbraw/zinc/95/71/06/635957106.db2.gz XHWYKVQPTOLYHY-DCAQKATOSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000857254240 635957210 /nfs/dbraw/zinc/95/72/10/635957210.db2.gz XHWYKVQPTOLYHY-GMTAPVOTSA-N 2 0 265.228 2.691 20 0 CFADRP C[NH+](C)C1(CNC(=[NH2+])NC2CCCC2)CCCCCC1 ZINC000848982139 633415140 /nfs/dbraw/zinc/41/51/40/633415140.db2.gz DDYWRMBOINCOIR-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP CC(C)C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+](C)C ZINC000848983820 633416922 /nfs/dbraw/zinc/41/69/22/633416922.db2.gz DUSCGQNOHYRYMF-GFCCVEGCSA-N 2 0 298.381 2.877 20 0 CFADRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCC2)cc1C ZINC000848986591 633418020 /nfs/dbraw/zinc/41/80/20/633418020.db2.gz KCGHBPPALQRSLH-CQSZACIVSA-N 2 0 274.412 2.724 20 0 CFADRP CCc1ccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCCC2)cc1 ZINC000848986648 633418405 /nfs/dbraw/zinc/41/84/05/633418405.db2.gz OUFDNHZJVMMDGK-ZDUSSCGKSA-N 2 0 274.412 2.670 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997005 633452217 /nfs/dbraw/zinc/45/22/17/633452217.db2.gz FUWJDRWCVRAMGC-OAHLLOKOSA-N 2 0 282.476 2.945 20 0 CFADRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849004542 633455840 /nfs/dbraw/zinc/45/58/40/633455840.db2.gz VMGFGNDPBPGHDI-UHFFFAOYSA-N 2 0 284.354 2.633 20 0 CFADRP C[C@@H]1CCCN(C(=[NH2+])NCCCCC[NH+]2CCCC2)C1 ZINC000849033168 633472024 /nfs/dbraw/zinc/47/20/24/633472024.db2.gz DMGKDORDBFWWRJ-OAHLLOKOSA-N 2 0 280.460 2.509 20 0 CFADRP C[N@H+](CCCCNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000849039626 633475714 /nfs/dbraw/zinc/47/57/14/633475714.db2.gz KOSWNKFANQSNFM-UHFFFAOYSA-N 2 0 296.365 2.775 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000849041339 633476720 /nfs/dbraw/zinc/47/67/20/633476720.db2.gz QLQFHYRFKQNQGF-AWEZNQCLSA-N 2 0 274.412 2.663 20 0 CFADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849047045 633479617 /nfs/dbraw/zinc/47/96/17/633479617.db2.gz NUGSPOSWSUOBKJ-UHFFFAOYSA-N 2 0 298.381 2.879 20 0 CFADRP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCC(C)C)CC(C)C ZINC000849053733 633481540 /nfs/dbraw/zinc/48/15/40/633481540.db2.gz DCKYDFHASWBAKY-HNNXBMFYSA-N 2 0 284.492 2.903 20 0 CFADRP C[C@H]1CCCN(C(=[NH2+])NCC2([NH+](C)C)CCCCCC2)C1 ZINC000849053346 633481568 /nfs/dbraw/zinc/48/15/68/633481568.db2.gz AFFVQMJPANXNOA-HNNXBMFYSA-N 2 0 294.487 2.897 20 0 CFADRP CC(C)C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000849053365 633481801 /nfs/dbraw/zinc/48/18/01/633481801.db2.gz BFXJACCWHAHTKM-HZPDHXFCSA-N 2 0 294.487 2.753 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C(C)C)C(C)C ZINC000849089052 633484805 /nfs/dbraw/zinc/48/48/05/633484805.db2.gz MNGDIZPOVWBDSV-CQSZACIVSA-N 2 0 282.476 2.513 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849096709 633485357 /nfs/dbraw/zinc/48/53/57/633485357.db2.gz LJNBILBXFPSSFL-GJZGRUSLSA-N 2 0 282.476 2.657 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1(C)C ZINC000858090673 636122182 /nfs/dbraw/zinc/12/21/82/636122182.db2.gz JNEWOWBXQMXABG-LSDHHAIUSA-N 2 0 296.842 2.836 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850163055 633865958 /nfs/dbraw/zinc/86/59/58/633865958.db2.gz WWMNUEURZYZMMM-SWLSCSKDSA-N 2 0 288.420 2.641 20 0 CFADRP c1cc(C[NH2+]CCC2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000850184091 633876379 /nfs/dbraw/zinc/87/63/79/633876379.db2.gz LRTXTJGQGYVKEI-UHFFFAOYSA-N 2 0 256.353 2.547 20 0 CFADRP COc1cncc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000850222159 633900845 /nfs/dbraw/zinc/90/08/45/633900845.db2.gz RHXARJSZYKYZCI-HNNXBMFYSA-N 2 0 291.439 2.548 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000850438504 633992443 /nfs/dbraw/zinc/99/24/43/633992443.db2.gz AKSVWNDZJJFEDF-WCQYABFASA-N 2 0 260.372 2.537 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850438682 633993565 /nfs/dbraw/zinc/99/35/65/633993565.db2.gz CMNXRDISZSMABT-SOUVJXGZSA-N 2 0 298.471 2.817 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000850482551 634012710 /nfs/dbraw/zinc/01/27/10/634012710.db2.gz JZOVVZCGFXFHIS-QZTJIDSGSA-N 2 0 292.467 2.656 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000850503635 634021757 /nfs/dbraw/zinc/02/17/57/634021757.db2.gz YEXCGCYGRKHBJY-GOOCMWNKSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850517046 634026947 /nfs/dbraw/zinc/02/69/47/634026947.db2.gz REYRTRJXCUPJAR-PBHICJAKSA-N 2 0 273.424 2.682 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000850582775 634060395 /nfs/dbraw/zinc/06/03/95/634060395.db2.gz LGDZFTDWKNXAOZ-DLBZAZTESA-N 2 0 292.467 2.656 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858163025 636144445 /nfs/dbraw/zinc/14/44/45/636144445.db2.gz USYVIIDFWHYDNA-USXIJHARSA-N 2 0 290.451 2.879 20 0 CFADRP C[C@H]1CCC[N@H+](CCC2SCCS2)[C@H]1CC[NH3+] ZINC000853022870 634879445 /nfs/dbraw/zinc/87/94/45/634879445.db2.gz GLSYYEPDHLRCIV-RYUDHWBXSA-N 2 0 274.499 2.632 20 0 CFADRP c1nn2ccccc2c1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093526 634901266 /nfs/dbraw/zinc/90/12/66/634901266.db2.gz MFXXKXCYRIOFNW-INIZCTEOSA-N 2 0 298.434 2.546 20 0 CFADRP CC[C@H]([NH2+]C)c1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000854137463 635225889 /nfs/dbraw/zinc/22/58/89/635225889.db2.gz XBOXGGNLCBWYNB-AWEZNQCLSA-N 2 0 297.362 2.652 20 0 CFADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2ccccc21 ZINC000854221465 635261138 /nfs/dbraw/zinc/26/11/38/635261138.db2.gz MWKDROVYUALDPT-QDXKRRSBSA-N 2 0 296.414 2.746 20 0 CFADRP O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000854229347 635266062 /nfs/dbraw/zinc/26/60/62/635266062.db2.gz LULFRWDDTDEOOQ-IECFSIQFSA-N 2 0 286.419 2.675 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157466682 650217146 /nfs/dbraw/zinc/21/71/46/650217146.db2.gz GESZRZNBXKKFNF-SFFUCWETSA-N 2 0 291.483 2.514 20 0 CFADRP Cn1cc(C[NH2+]CCCCCCC[NH+](C)C)c(Cl)n1 ZINC000856767722 635851242 /nfs/dbraw/zinc/85/12/42/635851242.db2.gz WJZGRWCVQQWSPF-UHFFFAOYSA-N 2 0 286.851 2.675 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000925491561 635967799 /nfs/dbraw/zinc/96/77/99/635967799.db2.gz DIQYVSBLBZOPLG-IRXDYDNUSA-N 2 0 287.451 2.554 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857848519 636031869 /nfs/dbraw/zinc/03/18/69/636031869.db2.gz JTAAAQUDOJINTO-KBPBESRZSA-N 2 0 287.411 2.688 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000858100959 636125066 /nfs/dbraw/zinc/12/50/66/636125066.db2.gz UKPPCCFQRGEWEV-UHFFFAOYSA-N 2 0 286.423 2.915 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858107112 636127490 /nfs/dbraw/zinc/12/74/90/636127490.db2.gz ZUZHJAZGOJRSQY-XJKSGUPXSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@H]1C[C@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858444464 636243706 /nfs/dbraw/zinc/24/37/06/636243706.db2.gz WWIDQDDELPPKNS-YOEHRIQHSA-N 2 0 297.402 2.649 20 0 CFADRP Cc1ccccc1SC[C@H](C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000859084798 636446038 /nfs/dbraw/zinc/44/60/38/636446038.db2.gz BKVWARXYGQTRSK-BMFZPTHFSA-N 2 0 290.476 2.874 20 0 CFADRP COCC[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214178 636506625 /nfs/dbraw/zinc/50/66/25/636506625.db2.gz FKIDGUHOQRYBRC-CQSZACIVSA-N 2 0 264.413 2.605 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3ccccc3)CC1)[NH2+]2 ZINC000925492567 636682592 /nfs/dbraw/zinc/68/25/92/636682592.db2.gz HTXWHZXNDCCWSA-IWKCEXAMSA-N 2 0 299.462 2.774 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H]2CCC=CO2)ccc1F ZINC000194455963 636779985 /nfs/dbraw/zinc/77/99/85/636779985.db2.gz ZQLWAZIYZZSQJY-HNNXBMFYSA-N 2 0 278.371 2.670 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(F)nc2)C1 ZINC000188991981 650354920 /nfs/dbraw/zinc/35/49/20/650354920.db2.gz PYKSUNBFYXMYKR-AWEZNQCLSA-N 2 0 279.403 2.822 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000863548882 637692585 /nfs/dbraw/zinc/69/25/85/637692585.db2.gz UPDWELRGSHZLDK-LKFCYVNXSA-N 2 0 250.773 2.525 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000863558753 637696432 /nfs/dbraw/zinc/69/64/32/637696432.db2.gz VQJBIWXVXUVTOR-HZPDHXFCSA-N 2 0 296.842 2.967 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000863643108 637723771 /nfs/dbraw/zinc/72/37/71/637723771.db2.gz GOUKWWJBJYMJIA-OAHLLOKOSA-N 2 0 280.456 2.848 20 0 CFADRP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CC1(C)C ZINC000864049859 637843838 /nfs/dbraw/zinc/84/38/38/637843838.db2.gz MXTVKQKVLWGVNA-GFCCVEGCSA-N 2 0 264.438 2.872 20 0 CFADRP COc1ccccc1CC[N@H+](C)CCCCCC[NH3+] ZINC000204527680 637903986 /nfs/dbraw/zinc/90/39/86/637903986.db2.gz XQVVFZYJTGAIQF-UHFFFAOYSA-N 2 0 264.413 2.689 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)C1 ZINC000865617325 638464990 /nfs/dbraw/zinc/46/49/90/638464990.db2.gz OGCGEOYDIXLIAS-JNSHFYNHSA-N 2 0 287.382 2.804 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc3ccccn23)CC1 ZINC000865765875 638562416 /nfs/dbraw/zinc/56/24/16/638562416.db2.gz PYMSPKFFKWLUGC-UHFFFAOYSA-N 2 0 286.423 2.687 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c21 ZINC000925493953 638652983 /nfs/dbraw/zinc/65/29/83/638652983.db2.gz SHCQOEQHGDAROC-LTFPAQTLSA-N 2 0 295.430 2.605 20 0 CFADRP CC[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000865973746 638683588 /nfs/dbraw/zinc/68/35/88/638683588.db2.gz HYZOCAIVBKZQHQ-VHSXEESVSA-N 2 0 273.302 2.677 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4ccccc43)CC[C@H]21 ZINC000866204210 638769717 /nfs/dbraw/zinc/76/97/17/638769717.db2.gz BDKJGMPUHDHEKC-CZUORRHYSA-N 2 0 267.376 2.765 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000866219045 638772919 /nfs/dbraw/zinc/77/29/19/638772919.db2.gz FQMZHYFRQHJLIE-MRXNPFEDSA-N 2 0 275.440 2.868 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866241030 638778283 /nfs/dbraw/zinc/77/82/83/638778283.db2.gz UBXUQNUVQBUPRU-RDJZCZTQSA-N 2 0 275.440 2.724 20 0 CFADRP C([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C1CC[NH+](C2CC2)CC1 ZINC000866349564 638801642 /nfs/dbraw/zinc/80/16/42/638801642.db2.gz JUOBEMJTMZICSE-MSOLQXFVSA-N 2 0 292.467 2.798 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1)C1CC1 ZINC000866369525 638807059 /nfs/dbraw/zinc/80/70/59/638807059.db2.gz LSEXMIAWQCWUSA-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866396712 638813947 /nfs/dbraw/zinc/81/39/47/638813947.db2.gz BVYXUQUQBGTSAA-HYVNUMGLSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411698 638816652 /nfs/dbraw/zinc/81/66/52/638816652.db2.gz UDPYSIULYVBRTP-CABCVRRESA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCOCC2)CC1 ZINC000866467832 638826361 /nfs/dbraw/zinc/82/63/61/638826361.db2.gz RNWDSYQBWPUBBE-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866469976 638826584 /nfs/dbraw/zinc/82/65/84/638826584.db2.gz QWQXEGHXIIBSFS-CQSZACIVSA-N 2 0 290.455 2.946 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518152 638834594 /nfs/dbraw/zinc/83/45/94/638834594.db2.gz TWTJXFNUXJXBBI-CGZBRXJRSA-N 2 0 292.471 2.760 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000866537245 638838075 /nfs/dbraw/zinc/83/80/75/638838075.db2.gz BLILSENVICAOGP-RDJZCZTQSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCSCCC(F)(F)F)CC[N@@H+]1C ZINC000866543708 638839651 /nfs/dbraw/zinc/83/96/51/638839651.db2.gz UWUIIPGFNYZZBN-QWRGUYRKSA-N 2 0 284.391 2.744 20 0 CFADRP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1C ZINC000866561794 638845030 /nfs/dbraw/zinc/84/50/30/638845030.db2.gz LGJMVARNKNMUSZ-NUJGCVRESA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866584062 638848854 /nfs/dbraw/zinc/84/88/54/638848854.db2.gz GTECDLNBCMUEEN-BPLDGKMQSA-N 2 0 264.438 2.705 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866584065 638848921 /nfs/dbraw/zinc/84/89/21/638848921.db2.gz GTECDLNBCMUEEN-YUELXQCFSA-N 2 0 264.438 2.705 20 0 CFADRP C[C@@H]([NH2+]Cc1noc2cc(F)ccc12)C1CC[NH+](C)CC1 ZINC000866608116 638853534 /nfs/dbraw/zinc/85/35/34/638853534.db2.gz BHFZDUBGKIREKU-LLVKDONJSA-N 2 0 291.370 2.787 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H](O)C2CCCC2)CC1 ZINC000866637202 638859077 /nfs/dbraw/zinc/85/90/77/638859077.db2.gz TVWLATOMAGHMGW-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)OC1 ZINC000866665970 638863303 /nfs/dbraw/zinc/86/33/03/638863303.db2.gz JOYBVHZIJQLGEH-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000866700902 638867083 /nfs/dbraw/zinc/86/70/83/638867083.db2.gz BSCYEXJVZUDWSZ-IXDOHACOSA-N 2 0 286.419 2.636 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708658 638869044 /nfs/dbraw/zinc/86/90/44/638869044.db2.gz SQNDGQBRAUSBRK-CJNGLKHVSA-N 2 0 261.413 2.840 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707376 638869219 /nfs/dbraw/zinc/86/92/19/638869219.db2.gz NELOJKLQIKQFBY-CJNGLKHVSA-N 2 0 261.413 2.840 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000866727944 638871706 /nfs/dbraw/zinc/87/17/06/638871706.db2.gz VCHOOXVRSYZQOJ-UHFFFAOYSA-N 2 0 266.360 2.539 20 0 CFADRP CCC[NH+]1CCC(CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925494177 638872846 /nfs/dbraw/zinc/87/28/46/638872846.db2.gz JPPLFBPULNSHHB-CRAIPNDOSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(O)c1F ZINC000872029481 641559233 /nfs/dbraw/zinc/55/92/33/641559233.db2.gz QLZDDKFZRPMGPW-LLVKDONJSA-N 2 0 254.349 2.524 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CC ZINC000872033692 641564905 /nfs/dbraw/zinc/56/49/05/641564905.db2.gz DRRKASJBPZFBCA-RDJZCZTQSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(O)c1F ZINC000872034900 641565422 /nfs/dbraw/zinc/56/54/22/641565422.db2.gz RHOCYLCVXTXNQS-NSHDSACASA-N 2 0 266.360 2.524 20 0 CFADRP CC[C@@H](CC1CCCCC1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000872035654 641567041 /nfs/dbraw/zinc/56/70/41/641567041.db2.gz XVNNTHJZNHVLMK-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000872039981 641574622 /nfs/dbraw/zinc/57/46/22/641574622.db2.gz VMLMLSZUMWIICN-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872079075 641611017 /nfs/dbraw/zinc/61/10/17/641611017.db2.gz LGZWDABRJIDKDS-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1csc([C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000872147005 641673811 /nfs/dbraw/zinc/67/38/11/641673811.db2.gz BWZHWDQPERYZGT-ZIAGYGMSSA-N 2 0 279.453 2.631 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872154711 641675140 /nfs/dbraw/zinc/67/51/40/641675140.db2.gz WWMXVFMHSDXSKZ-OLZOCXBDSA-N 2 0 296.377 2.937 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156716 641677768 /nfs/dbraw/zinc/67/77/68/641677768.db2.gz LJSISCLBRFNBER-LZWOXQAQSA-N 2 0 268.445 2.641 20 0 CFADRP Cn1cncc1C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158120 641679747 /nfs/dbraw/zinc/67/97/47/641679747.db2.gz TWDOHSALPHEFRJ-RHSMWYFYSA-N 2 0 290.455 2.540 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252181 641718133 /nfs/dbraw/zinc/71/81/33/641718133.db2.gz QRCOLPJWIJTJPZ-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872521881 641843279 /nfs/dbraw/zinc/84/32/79/641843279.db2.gz ZQMGOAOJHLUWQG-AWEZNQCLSA-N 2 0 259.397 2.880 20 0 CFADRP CC(C)[C@H]1CN(c2cc[nH+]cc2C2CC2)CC[N@@H+]1C ZINC000872626690 641880628 /nfs/dbraw/zinc/88/06/28/641880628.db2.gz SIMXIYBTKWORLM-MRXNPFEDSA-N 2 0 259.397 2.735 20 0 CFADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]c2ccccc21 ZINC000872778734 641932775 /nfs/dbraw/zinc/93/27/75/641932775.db2.gz BKDFRUCYIOSZBD-SJORKVTESA-N 2 0 267.376 2.908 20 0 CFADRP CC(C)CO[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206835 642067675 /nfs/dbraw/zinc/06/76/75/642067675.db2.gz MCQMWNPBQRRLPD-CQSZACIVSA-N 2 0 294.464 2.641 20 0 CFADRP C[NH2+]Cc1ccccc1NCc1cc2c(s1)CC[NH2+]C2 ZINC000873210581 642068555 /nfs/dbraw/zinc/06/85/55/642068555.db2.gz KWDLPHHJRUBBTR-UHFFFAOYSA-N 2 0 287.432 2.725 20 0 CFADRP FC1(F)C[C@]12CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873213799 642070598 /nfs/dbraw/zinc/07/05/98/642070598.db2.gz PUMGTKXIEYANDJ-ZDUSSCGKSA-N 2 0 284.375 2.625 20 0 CFADRP C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873221362 642073721 /nfs/dbraw/zinc/07/37/21/642073721.db2.gz RKAWFUDHCCBZRX-XQJDBVBESA-N 2 0 262.372 2.817 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c2cccnc12)C1CC[NH2+]CC1 ZINC000873221087 642074381 /nfs/dbraw/zinc/07/43/81/642074381.db2.gz KJYYWZTUKSAEID-GFCCVEGCSA-N 2 0 287.382 2.852 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000873221659 642075192 /nfs/dbraw/zinc/07/51/92/642075192.db2.gz ZWFZHKVXOJNDHV-HUUCEWRRSA-N 2 0 260.425 2.843 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222300 642075307 /nfs/dbraw/zinc/07/53/07/642075307.db2.gz LMQJPVDVEVTMNE-LBPRGKRZSA-N 2 0 292.471 2.733 20 0 CFADRP Cc1ccc(F)c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873222424 642075425 /nfs/dbraw/zinc/07/54/25/642075425.db2.gz RNEYCMLRKKYRBQ-LBPRGKRZSA-N 2 0 250.361 2.612 20 0 CFADRP CCc1ncc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223000 642076094 /nfs/dbraw/zinc/07/60/94/642076094.db2.gz GGTBGJCJUTYFQI-HNNXBMFYSA-N 2 0 281.469 2.902 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000873222816 642076756 /nfs/dbraw/zinc/07/67/56/642076756.db2.gz CNKZIXZHRNZPSM-INMHGKMJSA-N 2 0 282.472 2.889 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873223590 642076794 /nfs/dbraw/zinc/07/67/94/642076794.db2.gz OPTFVZYGIUBCLQ-INIZCTEOSA-N 2 0 278.444 2.661 20 0 CFADRP COCCC1([NH2+]Cc2ccc(Cl)c(C)c2)CC[NH2+]CC1 ZINC000873225355 642077957 /nfs/dbraw/zinc/07/79/57/642077957.db2.gz WMTRHUYZGNZTGP-UHFFFAOYSA-N 2 0 296.842 2.897 20 0 CFADRP CSc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873224056 642078062 /nfs/dbraw/zinc/07/80/62/642078062.db2.gz WZSPTJYSYRFUNJ-LBPRGKRZSA-N 2 0 264.438 2.886 20 0 CFADRP COCCC1([NH2+]Cc2ccc(C3CC3)cc2)CC[NH2+]CC1 ZINC000873225349 642078411 /nfs/dbraw/zinc/07/84/11/642078411.db2.gz PCAVIQWOHZPWMX-UHFFFAOYSA-N 2 0 288.435 2.812 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1C(F)(F)F ZINC000873227670 642079601 /nfs/dbraw/zinc/07/96/01/642079601.db2.gz KRQNLCRGUILWAC-XGUBFFRZSA-N 2 0 298.352 2.859 20 0 CFADRP C[C@H](C[NH2+][C@]12CCC[C@H]1[NH2+]CC2)Cc1ccccc1 ZINC000873231135 642083477 /nfs/dbraw/zinc/08/34/77/642083477.db2.gz IPFWVIPVRKWVKA-UAGQMJEPSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H](C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2)Cc1ccccc1 ZINC000873231137 642084319 /nfs/dbraw/zinc/08/43/19/642084319.db2.gz IPFWVIPVRKWVKA-XIRDDKMYSA-N 2 0 258.409 2.739 20 0 CFADRP Cn1cnc2cc(C[N@H+](C)CCCCCC[NH3+])ccc21 ZINC000873231849 642085027 /nfs/dbraw/zinc/08/50/27/642085027.db2.gz WWGWNLDKJSCFPJ-UHFFFAOYSA-N 2 0 274.412 2.524 20 0 CFADRP Cc1cc(C[N@H+](C)CCCCCC[NH3+])cnc1Cl ZINC000873231801 642085055 /nfs/dbraw/zinc/08/50/55/642085055.db2.gz VUVTXSHKTPJTRC-UHFFFAOYSA-N 2 0 269.820 2.994 20 0 CFADRP Cc1cnccc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873231640 642085944 /nfs/dbraw/zinc/08/59/44/642085944.db2.gz PWICODZDJFYJIY-INIZCTEOSA-N 2 0 273.424 2.792 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232892 642086736 /nfs/dbraw/zinc/08/67/36/642086736.db2.gz QEOJUGCVMASJGA-MRXNPFEDSA-N 2 0 273.424 2.792 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000873242012 642091600 /nfs/dbraw/zinc/09/16/00/642091600.db2.gz KLMKOIUDCNMTMX-UKRRQHHQSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000873242172 642091844 /nfs/dbraw/zinc/09/18/44/642091844.db2.gz MNDOIBSRIKMOMD-IAGOWNOFSA-N 3 0 281.488 2.604 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000873249584 642095851 /nfs/dbraw/zinc/09/58/51/642095851.db2.gz LZLFCNLMSXZCRG-XKQJLSEDSA-N 2 0 258.409 2.643 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000873248839 642096165 /nfs/dbraw/zinc/09/61/65/642096165.db2.gz FGGGZMZUZMGYMX-OCVGTWLNSA-N 2 0 274.408 2.559 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000873250471 642096348 /nfs/dbraw/zinc/09/63/48/642096348.db2.gz GAEWUAPAVWYHRC-RNCFNFMXSA-N 2 0 288.313 2.644 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1noc2ccc(F)cc21 ZINC000873251241 642097772 /nfs/dbraw/zinc/09/77/72/642097772.db2.gz UWYGODYFGYMWDY-JTQLQIEISA-N 2 0 265.332 2.574 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCSCCC(F)(F)F)C1 ZINC000873251861 642098256 /nfs/dbraw/zinc/09/82/56/642098256.db2.gz LZGWTRYVSCCPJY-UWVGGRQHSA-N 2 0 270.364 2.532 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2ccccc21 ZINC000873252493 642098474 /nfs/dbraw/zinc/09/84/74/642098474.db2.gz OQDSAEVNXBIGPK-XDKFSHSGSA-N 2 0 286.419 2.784 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000873253090 642099120 /nfs/dbraw/zinc/09/91/20/642099120.db2.gz ZEVCWZYEMUBATI-JBLDHEPKSA-N 2 0 292.814 2.615 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873253114 642099346 /nfs/dbraw/zinc/09/93/46/642099346.db2.gz UAPAPIZUHAXVLY-QCNOEVLYSA-N 2 0 262.319 2.601 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)ccc1SC ZINC000873254005 642100345 /nfs/dbraw/zinc/10/03/45/642100345.db2.gz IXXUGBSBRBEZAN-WZRBSPASSA-N 2 0 280.437 2.805 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255084 642100907 /nfs/dbraw/zinc/10/09/07/642100907.db2.gz CSLQSNNOZFFYDR-DSZLRUIBSA-N 2 0 262.372 2.776 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255125 642100956 /nfs/dbraw/zinc/10/09/56/642100956.db2.gz DJMFSTVLYHCKDD-ABHRYQDASA-N 2 0 262.397 2.514 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255365 642101147 /nfs/dbraw/zinc/10/11/47/642101147.db2.gz GYZRDVLNERRUBV-YRGRVCCFSA-N 2 0 258.365 2.691 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255227 642101163 /nfs/dbraw/zinc/10/11/63/642101163.db2.gz FAZHSDCKVVAQNS-HJWJTTGWSA-N 2 0 258.409 2.824 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000873255244 642101176 /nfs/dbraw/zinc/10/11/76/642101176.db2.gz FGGGZMZUZMGYMX-SDADXPQNSA-N 2 0 274.408 2.559 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255442 642101203 /nfs/dbraw/zinc/10/12/03/642101203.db2.gz GZEOCIOXUFENOR-DLOVCJGASA-N 2 0 267.442 2.963 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C2CC2)c1 ZINC000873256748 642102818 /nfs/dbraw/zinc/10/28/18/642102818.db2.gz PYUPXVGWZGDFHO-XIRDDKMYSA-N 2 0 258.409 2.643 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1 ZINC000873258424 642103239 /nfs/dbraw/zinc/10/32/39/642103239.db2.gz PSVWOQCXODBURL-IJLUTSLNSA-N 2 0 284.350 2.984 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873257758 642103389 /nfs/dbraw/zinc/10/33/89/642103389.db2.gz KFPQGBVYRJWFJQ-KWBADKCTSA-N 2 0 283.213 2.837 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000873258500 642103709 /nfs/dbraw/zinc/10/37/09/642103709.db2.gz SBNOSCAWFPXASP-QBPKDAKJSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260864 642105204 /nfs/dbraw/zinc/10/52/04/642105204.db2.gz JAMFNCWCHGCGGQ-UXXRCYHCSA-N 2 0 250.430 2.931 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260105 642105447 /nfs/dbraw/zinc/10/54/47/642105447.db2.gz SGDBAUVGYLKKQG-DIECFANBSA-N 2 0 288.435 2.746 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C(C)C ZINC000873261705 642105970 /nfs/dbraw/zinc/10/59/70/642105970.db2.gz QSACVQSKPVHMPF-DMRZNYOFSA-N 2 0 290.455 2.954 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000873263789 642107209 /nfs/dbraw/zinc/10/72/09/642107209.db2.gz KFZNTIJBRWGIGT-BQJWPVKWSA-N 2 0 292.467 2.844 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873267073 642109993 /nfs/dbraw/zinc/10/99/93/642109993.db2.gz WHCQAOJTZHZAKO-JFIYKMOQSA-N 2 0 289.467 2.757 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000873268463 642111064 /nfs/dbraw/zinc/11/10/64/642111064.db2.gz DPICRFTUQNBYIX-OLZOCXBDSA-N 2 0 292.471 2.985 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CSCCc2ccccc21)C1CC[NH2+]CC1 ZINC000873268384 642111183 /nfs/dbraw/zinc/11/11/83/642111183.db2.gz VYUVKVFDXWBAFX-CXAGYDPISA-N 2 0 290.476 2.995 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCCF)C1CC[NH2+]CC1 ZINC000873269512 642111562 /nfs/dbraw/zinc/11/15/62/642111562.db2.gz QULWZYYRKOZRNC-BPLDGKMQSA-N 2 0 256.409 2.883 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000873269179 642111700 /nfs/dbraw/zinc/11/17/00/642111700.db2.gz NITVDTXJDIFLTA-MLGOLLRUSA-N 2 0 279.403 2.896 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CC2 ZINC000873269222 642111743 /nfs/dbraw/zinc/11/17/43/642111743.db2.gz DWCRMFMBAVRWPN-GUYCJALGSA-N 2 0 258.409 2.960 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873269304 642111815 /nfs/dbraw/zinc/11/18/15/642111815.db2.gz OPUVKLWCZMZYIX-FVQBIDKESA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269967 642111833 /nfs/dbraw/zinc/11/18/33/642111833.db2.gz NIBVPWVBEWXVCE-HUUCEWRRSA-N 2 0 275.440 2.771 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000873269398 642111911 /nfs/dbraw/zinc/11/19/11/642111911.db2.gz PQUVWZQPNOPBAA-BZNIZROVSA-N 2 0 298.377 2.630 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269693 642112025 /nfs/dbraw/zinc/11/20/25/642112025.db2.gz SDENEJCKKGGERJ-KEYYUXOJSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CC[NH2+]CC1 ZINC000873270231 642112087 /nfs/dbraw/zinc/11/20/87/642112087.db2.gz PPIZSRICDVWISU-ZBEGNZNMSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCNc2ccccc21)C1CC[NH2+]CC1 ZINC000873272376 642113624 /nfs/dbraw/zinc/11/36/24/642113624.db2.gz SZSVETZMWMMUMS-SUMWQHHRSA-N 2 0 273.424 2.911 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCCF)C1CC[NH2+]CC1 ZINC000873272240 642113719 /nfs/dbraw/zinc/11/37/19/642113719.db2.gz QULWZYYRKOZRNC-NWANDNLSSA-N 2 0 256.409 2.883 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc2cnccc2o1 ZINC000873276663 642115427 /nfs/dbraw/zinc/11/54/27/642115427.db2.gz VTLHRGQRYDSAJM-RMRHIDDWSA-N 2 0 285.391 2.867 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c2ccccc21 ZINC000873282180 642116677 /nfs/dbraw/zinc/11/66/77/642116677.db2.gz QZNJMGIGDAHACL-XIVGLXKZSA-N 2 0 272.392 2.678 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873281228 642116742 /nfs/dbraw/zinc/11/67/42/642116742.db2.gz HIUWAWMORXBLLW-JSRQGNBESA-N 2 0 280.456 2.844 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288884 642122334 /nfs/dbraw/zinc/12/23/34/642122334.db2.gz BXARGZQGIYWDPP-JKSUJKDBSA-N 2 0 288.435 2.804 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289502 642122426 /nfs/dbraw/zinc/12/24/26/642122426.db2.gz ITSABCQHQYXJQC-ZIAGYGMSSA-N 2 0 294.464 2.866 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288935 642122486 /nfs/dbraw/zinc/12/24/86/642122486.db2.gz CSVOKSRZRIOLNG-HZPDHXFCSA-N 2 0 280.456 2.870 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873290607 642123079 /nfs/dbraw/zinc/12/30/79/642123079.db2.gz AROMTBGZYAYRQO-HUUCEWRRSA-N 2 0 294.464 2.948 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873291143 642123110 /nfs/dbraw/zinc/12/31/10/642123110.db2.gz URZOEXSGQLMIJM-IAGOWNOFSA-N 2 0 288.435 2.886 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291263 642123755 /nfs/dbraw/zinc/12/37/55/642123755.db2.gz IVZJNEPIHYYKHB-QBPKDAKJSA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c(C)o1 ZINC000873291925 642123911 /nfs/dbraw/zinc/12/39/11/642123911.db2.gz OBDGSVXPNJLIGE-DZGCQCFKSA-N 2 0 292.423 2.706 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](C)C1 ZINC000873292170 642123950 /nfs/dbraw/zinc/12/39/50/642123950.db2.gz OWDKEISLSZUEAB-JJXSEGSLSA-N 2 0 280.456 2.559 20 0 CFADRP CCCC[C@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291779 642124155 /nfs/dbraw/zinc/12/41/55/642124155.db2.gz XSKYDVOUFZMCTA-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](C)C1 ZINC000873292168 642124235 /nfs/dbraw/zinc/12/42/35/642124235.db2.gz OWDKEISLSZUEAB-FXUDXRNXSA-N 2 0 280.456 2.559 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)o1 ZINC000873293104 642124696 /nfs/dbraw/zinc/12/46/96/642124696.db2.gz XYVUFRDVUBELCG-DZGCQCFKSA-N 2 0 292.423 2.651 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000873294895 642125877 /nfs/dbraw/zinc/12/58/77/642125877.db2.gz VRMAANQYKLKLSN-DZGCQCFKSA-N 2 0 294.464 2.866 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296420 642127911 /nfs/dbraw/zinc/12/79/11/642127911.db2.gz ZNRCFNVIMHGMDL-MFNRNEDNSA-N 2 0 273.424 2.607 20 0 CFADRP CCCCC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200507 642322357 /nfs/dbraw/zinc/32/23/57/642322357.db2.gz BPRQWQIZPYJGDE-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020520381 642423624 /nfs/dbraw/zinc/42/36/24/642423624.db2.gz CHEOTGYCIZNZGU-MRXNPFEDSA-N 2 0 283.504 2.961 20 0 CFADRP CSC(C)(C)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000876596139 642938998 /nfs/dbraw/zinc/93/89/98/642938998.db2.gz FHYJWAUMRKMCHQ-CYBMUJFWSA-N 2 0 258.475 2.792 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](CC2(C)CCCC2)CC1 ZINC000876722092 642983282 /nfs/dbraw/zinc/98/32/82/642983282.db2.gz WMQOKRYWKXSLOD-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876963909 643084555 /nfs/dbraw/zinc/08/45/55/643084555.db2.gz KLNZHMRJXYLGPF-WDEREUQCSA-N 2 0 265.228 2.502 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876963906 643084720 /nfs/dbraw/zinc/08/47/20/643084720.db2.gz KLNZHMRJXYLGPF-GHMZBOCLSA-N 2 0 265.228 2.502 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000877090926 643147264 /nfs/dbraw/zinc/14/72/64/643147264.db2.gz YGZRJIYEURJBEW-DLBZAZTESA-N 2 0 294.483 2.924 20 0 CFADRP CC[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+](CC)CC ZINC000877136508 643172100 /nfs/dbraw/zinc/17/21/00/643172100.db2.gz HMCXGFASDCMDEU-ARFHVFGLSA-N 2 0 289.423 2.560 20 0 CFADRP Nc1c(Cl)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000877481607 643298708 /nfs/dbraw/zinc/29/87/08/643298708.db2.gz NFSDMWVMWLCQKB-UHFFFAOYSA-N 2 0 293.842 2.886 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000877531441 643333907 /nfs/dbraw/zinc/33/39/07/643333907.db2.gz MWSWXFNKUVEUHR-KBPBESRZSA-N 2 0 270.486 2.934 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000877545315 643348063 /nfs/dbraw/zinc/34/80/63/643348063.db2.gz FOPPBNNIPKLLFT-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP COCC[N@H+](CCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000877664792 643441652 /nfs/dbraw/zinc/44/16/52/643441652.db2.gz WWXKXYXMXUZFIS-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)ccn1 ZINC000877683989 643452271 /nfs/dbraw/zinc/45/22/71/643452271.db2.gz MDHJHFWTVZTCAI-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CO[C@@H](CC(C)C)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684721 643453094 /nfs/dbraw/zinc/45/30/94/643453094.db2.gz UTMRSIWJENNTTC-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(F)ncc2F)CC1 ZINC000877698510 643460398 /nfs/dbraw/zinc/46/03/98/643460398.db2.gz YEPKIJXPPBYSBU-UHFFFAOYSA-N 2 0 297.393 2.960 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000877698313 643460999 /nfs/dbraw/zinc/46/09/99/643460999.db2.gz XCJXGAGQFXMJGO-ZFWWWQNUSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739167 643503089 /nfs/dbraw/zinc/50/30/89/643503089.db2.gz FNJNIAFOSBPAAZ-BPQIPLTHSA-N 2 0 272.436 2.891 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(C)c1 ZINC000877739681 643505648 /nfs/dbraw/zinc/50/56/48/643505648.db2.gz GPMSMXWBBLJQPK-IAGOWNOFSA-N 2 0 258.409 2.829 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1C ZINC000877742554 643513984 /nfs/dbraw/zinc/51/39/84/643513984.db2.gz FEXCZGUKWDQSEG-DLBZAZTESA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000877743375 643516865 /nfs/dbraw/zinc/51/68/65/643516865.db2.gz VJWZAWZUJBJSPV-DOTOQJQBSA-N 2 0 288.435 2.870 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000877743948 643520206 /nfs/dbraw/zinc/52/02/06/643520206.db2.gz ZAUWCOJRWSFMST-DOTOQJQBSA-N 2 0 272.436 2.990 20 0 CFADRP C[NH+]1CCN(C2CC[NH+](CC3CCCCCC3)CC2)CC1 ZINC000877747321 643524943 /nfs/dbraw/zinc/52/49/43/643524943.db2.gz GHLRJGJAFBBXOU-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1ncc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cn1 ZINC000877767378 643546430 /nfs/dbraw/zinc/54/64/30/643546430.db2.gz GODBGPPPWQQZIC-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP CC(C)C[N@@H+](Cc1cccnc1)CC1CC[NH+](C)CC1 ZINC000877767418 643547255 /nfs/dbraw/zinc/54/72/55/643547255.db2.gz HXVWPDWDJTXAPN-UHFFFAOYSA-N 2 0 275.440 2.881 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000877794263 643559460 /nfs/dbraw/zinc/55/94/60/643559460.db2.gz INANJVACBPCTMF-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968120 643670012 /nfs/dbraw/zinc/67/00/12/643670012.db2.gz JAXRESOPZTZMHT-QGZVFWFLSA-N 2 0 292.467 2.896 20 0 CFADRP CC1(C)CC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)OC1 ZINC000877969092 643671267 /nfs/dbraw/zinc/67/12/67/643671267.db2.gz XCCALBXNYHPOAO-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878104754 643736335 /nfs/dbraw/zinc/73/63/35/643736335.db2.gz OSRPGFPWFDYPKW-QWHCGFSZSA-N 2 0 260.372 2.695 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121175 643746864 /nfs/dbraw/zinc/74/68/64/643746864.db2.gz OMBQILYTNICPON-XMTFNYHQSA-N 2 0 292.467 2.894 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C(C)(C)O1 ZINC000878126024 643749277 /nfs/dbraw/zinc/74/92/77/643749277.db2.gz UDMUTZKMXWEGRG-HZPDHXFCSA-N 2 0 294.483 2.998 20 0 CFADRP C(CC1CC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155114 643764893 /nfs/dbraw/zinc/76/48/93/643764893.db2.gz KTOXVUHZGMPOHP-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878156136 643765306 /nfs/dbraw/zinc/76/53/06/643765306.db2.gz IPIUXGPCPLGXME-XSLAGTTESA-N 2 0 292.467 2.608 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878652993 643976260 /nfs/dbraw/zinc/97/62/60/643976260.db2.gz WKWABETWEHLDCE-QAPCUYQASA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC(C)(C)CO1)C2 ZINC000878663135 643981631 /nfs/dbraw/zinc/98/16/31/643981631.db2.gz WAQNJKKRWFUULR-NVXWUHKLSA-N 2 0 280.456 2.609 20 0 CFADRP c1csc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000878743362 644012405 /nfs/dbraw/zinc/01/24/05/644012405.db2.gz DZJCABKGUKKHQY-UHFFFAOYSA-N 2 0 287.432 2.898 20 0 CFADRP C=C/C=C\CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748163 644013745 /nfs/dbraw/zinc/01/37/45/644013745.db2.gz RGBXBEVPBWJBMV-ARJAWSKDSA-N 2 0 257.381 2.726 20 0 CFADRP CC[N@H+](CC[C@@H](O)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058086 644127193 /nfs/dbraw/zinc/12/71/93/644127193.db2.gz IHOUATWSXJVUBB-GOSISDBHSA-N 2 0 292.467 2.977 20 0 CFADRP CC/C=C/CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125442 644152314 /nfs/dbraw/zinc/15/23/14/644152314.db2.gz CDMMSEBOZPSFNX-AATRIKPKSA-N 2 0 268.445 2.633 20 0 CFADRP CO[C@H]1CC[C@@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000879201907 644173366 /nfs/dbraw/zinc/17/33/66/644173366.db2.gz ALMDXDIOKUNCIA-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247716 644193258 /nfs/dbraw/zinc/19/32/58/644193258.db2.gz HFUBAIXIEKWCBP-AWEZNQCLSA-N 2 0 296.455 2.524 20 0 CFADRP Cc1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)oc1C ZINC000879247343 644193778 /nfs/dbraw/zinc/19/37/78/644193778.db2.gz AZGNLLLHDNNAJT-UHFFFAOYSA-N 2 0 277.412 2.599 20 0 CFADRP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247717 644193861 /nfs/dbraw/zinc/19/38/61/644193861.db2.gz HFUBAIXIEKWCBP-CQSZACIVSA-N 2 0 296.455 2.524 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406757 644258489 /nfs/dbraw/zinc/25/84/89/644258489.db2.gz QWJVBOUDQCNTFV-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3)CC[C@H]21 ZINC000879570210 644330236 /nfs/dbraw/zinc/33/02/36/644330236.db2.gz AZDOIRXJQOZISI-IAGOWNOFSA-N 2 0 258.409 2.645 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091847297 650910947 /nfs/dbraw/zinc/91/09/47/650910947.db2.gz LDPHCQRVIUFQKW-UHFFFAOYSA-N 2 0 276.424 2.884 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580017 644336847 /nfs/dbraw/zinc/33/68/47/644336847.db2.gz DEKGXDDSCHXXCM-KZNAEPCWSA-N 2 0 288.435 2.790 20 0 CFADRP Cc1cccc(CCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879583177 644338331 /nfs/dbraw/zinc/33/83/31/644338331.db2.gz WFGDGGMSSTYHQW-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879582054 644340149 /nfs/dbraw/zinc/34/01/49/644340149.db2.gz PLRFLHRTHVLNMI-IAGOWNOFSA-N 2 0 258.409 2.775 20 0 CFADRP CC(C)C[N@@H+](Cc1cc[nH]c(=O)c1)CC1CC[NH+](C)CC1 ZINC000879703607 644389404 /nfs/dbraw/zinc/38/94/04/644389404.db2.gz PVGUWGROYXJYBG-UHFFFAOYSA-N 2 0 291.439 2.587 20 0 CFADRP CCC(=O)CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702960 644389951 /nfs/dbraw/zinc/38/99/51/644389951.db2.gz BKPRXDRDMOJTFO-UHFFFAOYSA-N 2 0 268.445 2.655 20 0 CFADRP COC(=O)CC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000880038751 644511044 /nfs/dbraw/zinc/51/10/44/644511044.db2.gz NRLVIVYEJSEXQC-CVEARBPZSA-N 2 0 296.455 2.526 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](SC)C2)CC1 ZINC000128298729 644603229 /nfs/dbraw/zinc/60/32/29/644603229.db2.gz UINWYXIDJZJLFB-UONOGXRCSA-N 2 0 256.459 2.735 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CCC(C)(C)O)CC1 ZINC000880254840 644614594 /nfs/dbraw/zinc/61/45/94/644614594.db2.gz PMLVWJVKAPMIMR-UHFFFAOYSA-N 2 0 282.472 2.878 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CCCOC)CC1 ZINC000880255204 644614936 /nfs/dbraw/zinc/61/49/36/644614936.db2.gz DLVSQLQRZYDRSQ-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258616 644617217 /nfs/dbraw/zinc/61/72/17/644617217.db2.gz BFONORLKASAHBF-CABCVRRESA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258617 644617703 /nfs/dbraw/zinc/61/77/03/644617703.db2.gz BFONORLKASAHBF-GJZGRUSLSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880259448 644617785 /nfs/dbraw/zinc/61/77/85/644617785.db2.gz TVTPFCMGTLJHOZ-RDJZCZTQSA-N 2 0 289.423 2.551 20 0 CFADRP CC(C)SCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260945 644618882 /nfs/dbraw/zinc/61/88/82/644618882.db2.gz RKTPZHFKOUXHMO-CQSZACIVSA-N 2 0 279.453 2.734 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](C)[NH+]1CCCCC1 ZINC000093515859 650941666 /nfs/dbraw/zinc/94/16/66/650941666.db2.gz HEMQDXHYPYOBIZ-ZACQAIPSSA-N 2 0 281.488 2.761 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)c1ccccc1 ZINC000880461153 644719479 /nfs/dbraw/zinc/71/94/79/644719479.db2.gz DOPGNRCFVGDGHB-DLBZAZTESA-N 2 0 276.424 2.526 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)C1CCCC1 ZINC000880474770 644727952 /nfs/dbraw/zinc/72/79/52/644727952.db2.gz MCRYXLQSQPWLET-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CO[C@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)C1CCCC1 ZINC000880474771 644728376 /nfs/dbraw/zinc/72/83/76/644728376.db2.gz MCRYXLQSQPWLET-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP CO[C@H]1CC[C@@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000880517847 644748153 /nfs/dbraw/zinc/74/81/53/644748153.db2.gz XSFJOFXQNBUGPL-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000128615225 644839404 /nfs/dbraw/zinc/83/94/04/644839404.db2.gz SLSLPVTXQKYILL-ZIAGYGMSSA-N 2 0 256.459 2.733 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250538411 650975149 /nfs/dbraw/zinc/97/51/49/650975149.db2.gz OJUXTIHSCZHYQY-GVDBMIGSSA-N 2 0 274.408 2.576 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252708668 651019997 /nfs/dbraw/zinc/01/99/97/651019997.db2.gz ATOOFDILEOKXQO-UKRRQHHQSA-N 2 0 264.388 2.688 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2nc(C(C)C)c[nH]2)CC1 ZINC000882981215 645538666 /nfs/dbraw/zinc/53/86/66/645538666.db2.gz FPNVRDQFRMUIOE-UHFFFAOYSA-N 2 0 278.444 2.745 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000882980424 645539222 /nfs/dbraw/zinc/53/92/22/645539222.db2.gz JKWZITGSVZRHFB-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCCSC2)C1 ZINC000131153605 645637639 /nfs/dbraw/zinc/63/76/39/645637639.db2.gz SZRVLVMMGSVQRK-RBSFLKMASA-N 2 0 270.486 2.840 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)CC[C@H]2C)CC1 ZINC000883172280 645640099 /nfs/dbraw/zinc/64/00/99/645640099.db2.gz CCQBOYRJAHVROJ-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000131175523 645648334 /nfs/dbraw/zinc/64/83/34/645648334.db2.gz GISUKFJEGGIMGT-OAHLLOKOSA-N 2 0 294.464 2.612 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883190974 645653451 /nfs/dbraw/zinc/65/34/51/645653451.db2.gz PCQQABSRYVMFBN-RDJZCZTQSA-N 2 0 292.467 2.800 20 0 CFADRP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2C=CCC2)CC1 ZINC000883237885 645686123 /nfs/dbraw/zinc/68/61/23/645686123.db2.gz MPKYNZGIJLSBJW-GFCCVEGCSA-N 2 0 276.346 2.959 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@H](C)C1 ZINC000883246446 645693890 /nfs/dbraw/zinc/69/38/90/645693890.db2.gz IQNQFLWIQCMUMD-ZACQAIPSSA-N 2 0 280.456 2.679 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000883256651 645701358 /nfs/dbraw/zinc/70/13/58/645701358.db2.gz DXLIYUHFZRMGNN-AGIUHOORSA-N 2 0 272.383 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H](C)C1 ZINC000883254859 645701395 /nfs/dbraw/zinc/70/13/95/645701395.db2.gz DYBPXATUYCOVSM-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000131462199 645728699 /nfs/dbraw/zinc/72/86/99/645728699.db2.gz CYBAQFFLKHZAPX-RYUDHWBXSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000253201372 651039943 /nfs/dbraw/zinc/03/99/43/651039943.db2.gz XXMZLXFMAXGXKB-CHWSQXEVSA-N 2 0 258.365 2.850 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000253201552 651040059 /nfs/dbraw/zinc/04/00/59/651040059.db2.gz YBNLUILTSSOCQN-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000883353974 645758140 /nfs/dbraw/zinc/75/81/40/645758140.db2.gz IGYYBDNXRCENDL-CGTJXYLNSA-N 2 0 293.499 2.713 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000883410945 645807520 /nfs/dbraw/zinc/80/75/20/645807520.db2.gz MUCSZAQFJHQDFP-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP [NH3+]C1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000883415451 645808518 /nfs/dbraw/zinc/80/85/18/645808518.db2.gz WBQRDMJNIPEFDV-IAGOWNOFSA-N 2 0 274.408 2.720 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883415693 645809058 /nfs/dbraw/zinc/80/90/58/645809058.db2.gz BZQLXWYIUOSFSW-JQHSSLGASA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883416468 645809545 /nfs/dbraw/zinc/80/95/45/645809545.db2.gz VRCAZQRUICSSAY-JQHSSLGASA-N 2 0 288.435 2.968 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883415842 645809641 /nfs/dbraw/zinc/80/96/41/645809641.db2.gz FZCMKBUSXFSODD-ROUUACIJSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883417859 645812442 /nfs/dbraw/zinc/81/24/42/645812442.db2.gz POQZNZDDBCVSFD-LAVFITLUSA-N 2 0 288.435 2.966 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883427549 645820462 /nfs/dbraw/zinc/82/04/62/645820462.db2.gz VIKMMLISFOIMQB-LAVFITLUSA-N 2 0 288.435 2.966 20 0 CFADRP CC1(C)C[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C(C)(C)O1 ZINC000883428418 645822615 /nfs/dbraw/zinc/82/26/15/645822615.db2.gz TXKBVCWGTYMMCU-CVEARBPZSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1C[NH3+] ZINC000883432598 645827046 /nfs/dbraw/zinc/82/70/46/645827046.db2.gz VRAIZYXHGHZGTB-FRRDWIJNSA-N 2 0 260.372 2.729 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@@H]1C[NH3+] ZINC000883432313 645827111 /nfs/dbraw/zinc/82/71/11/645827111.db2.gz PCYIPPZFIKUINB-LAVFITLUSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CCC3)O1)CC[NH2+]CC2 ZINC000883433881 645827783 /nfs/dbraw/zinc/82/77/83/645827783.db2.gz AWAUGKKVDGNHKI-GJZGRUSLSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCCC(C)(C)O1)CC[NH2+]CC2 ZINC000883434329 645827975 /nfs/dbraw/zinc/82/79/75/645827975.db2.gz NNCJZWNYGFSDGU-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1)C1CCCC1 ZINC000883440879 645835129 /nfs/dbraw/zinc/83/51/29/645835129.db2.gz BTXATZDDFUBRKN-PBHICJAKSA-N 2 0 290.455 2.572 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447759 645836994 /nfs/dbraw/zinc/83/69/94/645836994.db2.gz KSLSLWLYAMPYGX-MRXNPFEDSA-N 3 0 290.455 2.501 20 0 CFADRP c1ccc([C@@H]2CSCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000883460975 645844203 /nfs/dbraw/zinc/84/42/03/645844203.db2.gz LOKKNKMCQNEPEI-ZBFHGGJFSA-N 2 0 276.449 2.776 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000132141049 645882366 /nfs/dbraw/zinc/88/23/66/645882366.db2.gz WWPSUPGFWSQHDO-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000800171530 646168106 /nfs/dbraw/zinc/16/81/06/646168106.db2.gz MXHKGZYBIFGNKA-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)OCCC[NH+]1CCCC1 ZINC000800194479 646183423 /nfs/dbraw/zinc/18/34/23/646183423.db2.gz ZIMBTKMMTRHZKQ-UHFFFAOYSA-N 2 0 296.455 2.669 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885962534 646786150 /nfs/dbraw/zinc/78/61/50/646786150.db2.gz BFNQXZZFONSYOZ-IAGOWNOFSA-N 2 0 280.456 2.608 20 0 CFADRP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000886021211 646823224 /nfs/dbraw/zinc/82/32/24/646823224.db2.gz RDCQSOJSMZZKFS-SZMVWBNQSA-N 2 0 292.467 2.752 20 0 CFADRP CCN1CCC([N@H+](C)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886030961 646829856 /nfs/dbraw/zinc/82/98/56/646829856.db2.gz YKYQMLASWWVBEH-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127737 646885504 /nfs/dbraw/zinc/88/55/04/646885504.db2.gz RDNFHAGDMFXHJP-NBOOPKSLSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCC(F)F)C1 ZINC000886155368 646899404 /nfs/dbraw/zinc/89/94/04/646899404.db2.gz BXUYNZHQJNZKPD-XBXGTLAGSA-N 2 0 298.377 2.760 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886221034 646927616 /nfs/dbraw/zinc/92/76/16/646927616.db2.gz RSLWHTBASJVCBZ-IKGGRYGDSA-N 2 0 262.441 2.840 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccccn2)CC1 ZINC000886487740 647016366 /nfs/dbraw/zinc/01/63/66/647016366.db2.gz SCSXJWDVUHEJSZ-UHFFFAOYSA-N 2 0 273.424 2.968 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886516453 647026249 /nfs/dbraw/zinc/02/62/49/647026249.db2.gz ILFKEQZSZZPCAP-VUROTCPHSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000886522872 647027408 /nfs/dbraw/zinc/02/74/08/647027408.db2.gz SEDPLARXGKPUEE-NVXWUHKLSA-N 2 0 292.471 2.827 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000886533283 647033560 /nfs/dbraw/zinc/03/35/60/647033560.db2.gz YGTKVJGHUYALKV-JUVOFCAFSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886555517 647045345 /nfs/dbraw/zinc/04/53/45/647045345.db2.gz VFLVQBDEHNSDBT-AQFXKWCLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CO)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886556406 647045417 /nfs/dbraw/zinc/04/54/17/647045417.db2.gz ARMKZMOQUAGZHL-KLAILNCOSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886560314 647047240 /nfs/dbraw/zinc/04/72/40/647047240.db2.gz VFLAPYLSPLKPCJ-SOEBMCCKSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886562289 647047972 /nfs/dbraw/zinc/04/79/72/647047972.db2.gz VVORMHDJBZCYQZ-UHFFFAOYSA-N 3 0 291.483 2.635 20 0 CFADRP CC(C)[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000886615992 647069268 /nfs/dbraw/zinc/06/92/68/647069268.db2.gz SCGOMLVEOHEVKF-KRWDZBQOSA-N 2 0 292.471 2.973 20 0 CFADRP CCn1ccnc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617420 647070846 /nfs/dbraw/zinc/07/08/46/647070846.db2.gz NUHRGOVWEXGIRJ-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000886623688 647074478 /nfs/dbraw/zinc/07/44/78/647074478.db2.gz LCNPVJUTNKZPMF-KZYLPZIUSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000886628112 647076406 /nfs/dbraw/zinc/07/64/06/647076406.db2.gz GBFNZTXENGEJMS-GPANFISMSA-N 2 0 278.444 2.580 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000886643401 647084486 /nfs/dbraw/zinc/08/44/86/647084486.db2.gz TVHJGGPIOVLOTH-UMQBVGHOSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](C)O1 ZINC000886644371 647085008 /nfs/dbraw/zinc/08/50/08/647085008.db2.gz BKPJTBLBYRPNEQ-QSFKDOLUSA-N 2 0 280.456 2.939 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](c2ncccn2)C1 ZINC000886678269 647106359 /nfs/dbraw/zinc/10/63/59/647106359.db2.gz AMGXRQYMIOPLEF-CVEARBPZSA-N 2 0 288.439 2.530 20 0 CFADRP CCSCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886711627 647118902 /nfs/dbraw/zinc/11/89/02/647118902.db2.gz ZJZDHQVEFQSVDH-UHFFFAOYSA-N 2 0 256.459 2.690 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000886719810 647121676 /nfs/dbraw/zinc/12/16/76/647121676.db2.gz IJQGPNZHHMCSDH-MUJYYYPQSA-N 2 0 262.441 2.983 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000886839866 647159373 /nfs/dbraw/zinc/15/93/73/647159373.db2.gz NNZGQKNCHHZFOO-IXDOHACOSA-N 2 0 292.467 2.800 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000886840286 647159746 /nfs/dbraw/zinc/15/97/46/647159746.db2.gz YPZRHONHFJCDPW-OWSLCNJRSA-N 2 0 292.467 2.641 20 0 CFADRP C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886841479 647160362 /nfs/dbraw/zinc/16/03/62/647160362.db2.gz MQPDOZLDDODRKT-KURKYZTESA-N 2 0 292.467 2.513 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886841662 647160752 /nfs/dbraw/zinc/16/07/52/647160752.db2.gz ROQVOMKTYCVEFG-VYDXJSESSA-N 2 0 280.456 2.641 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886870465 647164214 /nfs/dbraw/zinc/16/42/14/647164214.db2.gz YPVVZCDLIQOBSF-QGZVFWFLSA-N 2 0 292.398 2.670 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886865121 647164509 /nfs/dbraw/zinc/16/45/09/647164509.db2.gz ANSNFGYOFDDWOW-QGZVFWFLSA-N 2 0 292.398 2.670 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872102 647165013 /nfs/dbraw/zinc/16/50/13/647165013.db2.gz JAIFRRJMJNVAOA-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876145 647165970 /nfs/dbraw/zinc/16/59/70/647165970.db2.gz PAOGXDOBKKOEPQ-DLBZAZTESA-N 2 0 292.467 2.944 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)OC1 ZINC000886874722 647166852 /nfs/dbraw/zinc/16/68/52/647166852.db2.gz VDCYLPFGEHUTFC-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000222344727 647261508 /nfs/dbraw/zinc/26/15/08/647261508.db2.gz GNDJBRLHQWTFMP-GJZGRUSLSA-N 2 0 268.445 2.797 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000222344665 647261552 /nfs/dbraw/zinc/26/15/52/647261552.db2.gz GNDJBRLHQWTFMP-LSDHHAIUSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000127700901 647863212 /nfs/dbraw/zinc/86/32/12/647863212.db2.gz LHNNNIYYASPDDE-UHFFFAOYSA-N 2 0 270.364 2.561 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(CO)c1)c1ccccc1 ZINC000925500051 647883107 /nfs/dbraw/zinc/88/31/07/647883107.db2.gz WQQPDXWMVFAUNA-SFHVURJKSA-N 2 0 284.403 2.749 20 0 CFADRP CCOCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924524540 647986219 /nfs/dbraw/zinc/98/62/19/647986219.db2.gz DHHSSMSSBWNAJA-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000924530038 647987988 /nfs/dbraw/zinc/98/79/88/647987988.db2.gz YUILIBKGDQISBD-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000924571988 647997663 /nfs/dbraw/zinc/99/76/63/647997663.db2.gz PUKMFEJKTQZCDA-IKGGRYGDSA-N 2 0 282.472 2.902 20 0 CFADRP C(C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000924577513 647998553 /nfs/dbraw/zinc/99/85/53/647998553.db2.gz FZGXJELTSRUFIR-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CCC[NH+]1CCCCC1 ZINC000924578662 647999043 /nfs/dbraw/zinc/99/90/43/647999043.db2.gz OMQJCFPGZLVOOT-HZPDHXFCSA-N 2 0 270.461 2.782 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C(C)(C)CO ZINC000924580620 648000554 /nfs/dbraw/zinc/00/05/54/648000554.db2.gz WQHSCFFAVBLUTC-OAHLLOKOSA-N 2 0 278.440 2.505 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924628845 648012590 /nfs/dbraw/zinc/01/25/90/648012590.db2.gz MQTLFCSYNUDADS-WMZOPIPTSA-N 2 0 294.483 2.902 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C(C(C)C)C(C)C)CC1 ZINC000924661571 648021298 /nfs/dbraw/zinc/02/12/98/648021298.db2.gz NQNUSRXWWWBPGO-KRWDZBQOSA-N 2 0 297.531 2.920 20 0 CFADRP COCCCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924683107 648025968 /nfs/dbraw/zinc/02/59/68/648025968.db2.gz DUCTWAUMQCJFDK-CQSZACIVSA-N 2 0 264.413 2.825 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cn(C)cn1 ZINC000924685448 648026685 /nfs/dbraw/zinc/02/66/85/648026685.db2.gz IWIWWOMCFGTPEZ-CABCVRRESA-N 2 0 278.444 2.725 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924708180 648031984 /nfs/dbraw/zinc/03/19/84/648031984.db2.gz WWSALZNNCGSPLW-RYRKJORJSA-N 2 0 287.451 2.724 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924711238 648032503 /nfs/dbraw/zinc/03/25/03/648032503.db2.gz GJVVMNRWZKANOQ-WMZOPIPTSA-N 2 0 292.467 2.656 20 0 CFADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713784 648033573 /nfs/dbraw/zinc/03/35/73/648033573.db2.gz SVXGAQVTCDPBSD-AEFFLSMTSA-N 2 0 294.483 2.782 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924754075 648041245 /nfs/dbraw/zinc/04/12/45/648041245.db2.gz SODGOASYJOEJLT-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[NH2+][C@@H]1CCCN2CCCC[C@H]12)COC1CCCC1 ZINC000924865609 648062846 /nfs/dbraw/zinc/06/28/46/648062846.db2.gz HZJLUFXZYRMMPZ-IAGOWNOFSA-N 2 0 280.456 2.942 20 0 CFADRP CO[C@H](C)CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924910376 648070706 /nfs/dbraw/zinc/07/07/06/648070706.db2.gz SXPJFPWKRQKEEK-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000924929380 648073651 /nfs/dbraw/zinc/07/36/51/648073651.db2.gz FRLZUZBFBDFXMP-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924953960 648078647 /nfs/dbraw/zinc/07/86/47/648078647.db2.gz GNYBEROAAMJWMU-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924955141 648078780 /nfs/dbraw/zinc/07/87/80/648078780.db2.gz MYIQLXNFYOIUQP-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924955631 648079077 /nfs/dbraw/zinc/07/90/77/648079077.db2.gz PSZGVHHJFNDROP-ZWKOTPCHSA-N 2 0 293.499 2.715 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)CO)c1 ZINC000924958379 648079476 /nfs/dbraw/zinc/07/94/76/648079476.db2.gz JRLJAGDJOWCFSE-AWEZNQCLSA-N 2 0 278.440 2.635 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000924956521 648079686 /nfs/dbraw/zinc/07/96/86/648079686.db2.gz XEPCNUANIIXVRV-AWEZNQCLSA-N 2 0 293.459 2.632 20 0 CFADRP C[C@@H](C[NH2+][C@H](C1CCC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000924962804 648081040 /nfs/dbraw/zinc/08/10/40/648081040.db2.gz CCPZVMALBSVHCY-YJBOKZPZSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924989235 648084905 /nfs/dbraw/zinc/08/49/05/648084905.db2.gz DBCQHZBEWVOLAB-RYRKJORJSA-N 2 0 293.499 2.737 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924989244 648085333 /nfs/dbraw/zinc/08/53/33/648085333.db2.gz DDJUOPQWVJHHSV-CVEARBPZSA-N 2 0 283.504 2.529 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000924988525 648085403 /nfs/dbraw/zinc/08/54/03/648085403.db2.gz BKRIXJBVUMIDNM-CRAIPNDOSA-N 2 0 293.499 2.571 20 0 CFADRP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925046312 648094367 /nfs/dbraw/zinc/09/43/67/648094367.db2.gz PIRDHAIGSBHDOI-JJRVBVJISA-N 2 0 278.440 2.806 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000925053510 648096100 /nfs/dbraw/zinc/09/61/00/648096100.db2.gz JIMBEHHECCBCCS-RHSMWYFYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000925086331 648102418 /nfs/dbraw/zinc/10/24/18/648102418.db2.gz OCUXBXZFQFBSHG-ZBFHGGJFSA-N 2 0 277.456 2.969 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1coc2ccccc21 ZINC000925117515 648109496 /nfs/dbraw/zinc/10/94/96/648109496.db2.gz OZSMRNWCWNGMHL-CYBMUJFWSA-N 2 0 288.391 2.540 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000925150157 648117308 /nfs/dbraw/zinc/11/73/08/648117308.db2.gz GRIICMKZPZPHEC-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC3CCC1CC3)CCC2 ZINC000925167664 648122619 /nfs/dbraw/zinc/12/26/19/648122619.db2.gz DBZINKRBBPYOIR-CVSAEHQPSA-N 2 0 259.397 2.929 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)CCO)c1cccc(C[NH+](C)C)c1 ZINC000925186683 648126058 /nfs/dbraw/zinc/12/60/58/648126058.db2.gz ZVBGLEHCUHRZOO-AWEZNQCLSA-N 2 0 278.440 2.807 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@]2(C)CCCO2)CC1 ZINC000925249033 648141854 /nfs/dbraw/zinc/14/18/54/648141854.db2.gz JVXZAZWANKHTRX-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000925267412 648147271 /nfs/dbraw/zinc/14/72/71/648147271.db2.gz HSKUUSNZDNNYBU-MAUKXSAKSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1(Cl)CC1 ZINC000925436121 648167819 /nfs/dbraw/zinc/16/78/19/648167819.db2.gz DAFZHGKWWXAGPK-HZSPNIEDSA-N 2 0 288.863 2.625 20 0 CFADRP CCn1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000925427556 648168613 /nfs/dbraw/zinc/16/86/13/648168613.db2.gz BEXFZCKZVXVOSV-CQSZACIVSA-N 2 0 286.423 2.815 20 0 CFADRP CCOCCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925480406 648179859 /nfs/dbraw/zinc/17/98/59/648179859.db2.gz LXFKJWDKVGFOEM-HZPDHXFCSA-N 2 0 268.445 2.561 20 0 CFADRP CCOCCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925480399 648179976 /nfs/dbraw/zinc/17/99/76/648179976.db2.gz LXFKJWDKVGFOEM-CVEARBPZSA-N 2 0 268.445 2.561 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925485450 648181285 /nfs/dbraw/zinc/18/12/85/648181285.db2.gz NGWGQGHYOHFCIH-KFWWJZLASA-N 3 0 292.471 2.793 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925507777 648188825 /nfs/dbraw/zinc/18/88/25/648188825.db2.gz NCWVXSBXJOGMHB-KMUNFCNLSA-N 2 0 296.361 2.592 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504962 648189023 /nfs/dbraw/zinc/18/90/23/648189023.db2.gz OUZQWGKSHCBSBZ-KKUMJFAQSA-N 3 0 283.504 2.848 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925507294 648189838 /nfs/dbraw/zinc/18/98/38/648189838.db2.gz VURACWKUGUBASD-PMPSAXMXSA-N 2 0 258.409 2.861 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925508373 648190562 /nfs/dbraw/zinc/19/05/62/648190562.db2.gz FYKLXICERWKXPW-IXDOHACOSA-N 2 0 289.467 2.785 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ccccc2F)C1 ZINC000925509041 648190643 /nfs/dbraw/zinc/19/06/43/648190643.db2.gz KLMHQQWDAHRTMU-QWHCGFSZSA-N 2 0 280.387 2.700 20 0 CFADRP C(COC1CCCC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925508987 648190650 /nfs/dbraw/zinc/19/06/50/648190650.db2.gz KXDHWEBHMSUQHB-DLBZAZTESA-N 2 0 280.456 2.704 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]C23CCCC3)CCCCC1 ZINC000925509366 648190744 /nfs/dbraw/zinc/19/07/44/648190744.db2.gz MJOWOFRNVFWQBN-HNNXBMFYSA-N 2 0 279.472 2.515 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925510997 648191815 /nfs/dbraw/zinc/19/18/15/648191815.db2.gz DHFPDPACSLHUJW-HZPDHXFCSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925520364 648196506 /nfs/dbraw/zinc/19/65/06/648196506.db2.gz RRXYKPGTMZQMSK-WBVHZDCISA-N 2 0 275.440 2.541 20 0 CFADRP CC(C)CCOCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925522019 648197251 /nfs/dbraw/zinc/19/72/51/648197251.db2.gz PUMYLMDMYCNWFC-KBPBESRZSA-N 2 0 256.434 2.545 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925520643 648197387 /nfs/dbraw/zinc/19/73/87/648197387.db2.gz MJDQYCUYJDJPLK-HZPDHXFCSA-N 2 0 288.435 2.832 20 0 CFADRP CC(C)COCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925521557 648197416 /nfs/dbraw/zinc/19/74/16/648197416.db2.gz VOGRQKIENIFQAX-KGLIPLIRSA-N 2 0 256.434 2.545 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCOc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925523660 648198788 /nfs/dbraw/zinc/19/87/88/648198788.db2.gz NFHQEODPCZRRBD-CABCVRRESA-N 2 0 276.424 2.951 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCc2ccccc2)C12CCC2 ZINC000925524386 648199674 /nfs/dbraw/zinc/19/96/74/648199674.db2.gz SNLNRAFVJXQLLB-HOTGVXAUSA-N 2 0 258.409 2.869 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925531356 648203452 /nfs/dbraw/zinc/20/34/52/648203452.db2.gz YOWJWPFYOFFCFO-CVEARBPZSA-N 2 0 280.456 2.846 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000925535588 648205807 /nfs/dbraw/zinc/20/58/07/648205807.db2.gz ZLFDMULXTKIJLK-INIZCTEOSA-N 2 0 276.424 2.714 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925537117 648205958 /nfs/dbraw/zinc/20/59/58/648205958.db2.gz JETVBALKVJPHKK-HRCADAONSA-N 2 0 273.424 2.681 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)CC(C)C ZINC000925535629 648205964 /nfs/dbraw/zinc/20/59/64/648205964.db2.gz HVLXATVMIWCWIL-XHSDSOJGSA-N 2 0 281.488 2.602 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCNc2ccccc2)C1 ZINC000925538573 648206338 /nfs/dbraw/zinc/20/63/38/648206338.db2.gz VCXIHCKKBRPMRS-ZFWWWQNUSA-N 2 0 261.413 2.594 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000925538112 648206490 /nfs/dbraw/zinc/20/64/90/648206490.db2.gz RJSYENFWZOFTLI-HNNXBMFYSA-N 2 0 280.387 2.715 20 0 CFADRP CN(CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925538843 648206575 /nfs/dbraw/zinc/20/65/75/648206575.db2.gz UFJSUZOMPZWYKY-GJZGRUSLSA-N 2 0 275.440 2.618 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925539401 648207294 /nfs/dbraw/zinc/20/72/94/648207294.db2.gz WIOGFGCICVQRJZ-IRXDYDNUSA-N 2 0 288.435 2.876 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925540889 648207924 /nfs/dbraw/zinc/20/79/24/648207924.db2.gz IWDAFUYTJKNWBA-JYJNAYRXSA-N 2 0 291.439 2.590 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543143 648209260 /nfs/dbraw/zinc/20/92/60/648209260.db2.gz QYHWZGCOASHMSV-RCCFBDPRSA-N 3 0 289.467 2.929 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000925548914 648211651 /nfs/dbraw/zinc/21/16/51/648211651.db2.gz VDDJQLMHKONJTL-WCVJEAGWSA-N 2 0 281.488 2.602 20 0 CFADRP C[C@H]1CCCCN1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925552481 648213485 /nfs/dbraw/zinc/21/34/85/648213485.db2.gz XGAYFQOQVSXQGC-FUHWJXTLSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925553185 648213670 /nfs/dbraw/zinc/21/36/70/648213670.db2.gz OGWUNJUGQAAYJZ-IKGGRYGDSA-N 3 0 295.515 2.994 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925554854 648214229 /nfs/dbraw/zinc/21/42/29/648214229.db2.gz DJGAUBXNVOHOFH-XESSNEJNSA-N 2 0 292.467 2.533 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CCCC1 ZINC000925558040 648215437 /nfs/dbraw/zinc/21/54/37/648215437.db2.gz RPYAGXXNJUIJLB-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925557835 648215559 /nfs/dbraw/zinc/21/55/59/648215559.db2.gz PXDVHAQQBQDQLO-CWRNSKLLSA-N 2 0 272.392 2.542 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1cccc(F)c1 ZINC000925566380 648220175 /nfs/dbraw/zinc/22/01/75/648220175.db2.gz HKQAPNNJGBRWPZ-CBHXASLJSA-N 2 0 276.399 2.864 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925568314 648220669 /nfs/dbraw/zinc/22/06/69/648220669.db2.gz JCCCZDWOGWIKIJ-GJZGRUSLSA-N 2 0 275.440 2.748 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C1 ZINC000925589202 648229429 /nfs/dbraw/zinc/22/94/29/648229429.db2.gz WMJOPUPXHABHBA-CHWSQXEVSA-N 2 0 297.830 2.609 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000925598501 648234165 /nfs/dbraw/zinc/23/41/65/648234165.db2.gz RVRUJHDEMFXDND-GUYCJALGSA-N 2 0 276.424 2.824 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@H]1CC[NH2+]C13CCCC3)C2 ZINC000925602464 648234901 /nfs/dbraw/zinc/23/49/01/648234901.db2.gz TYXSPWWPBGSLLX-KRWDZBQOSA-N 2 0 270.420 2.666 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOC2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925601714 648235064 /nfs/dbraw/zinc/23/50/64/648235064.db2.gz NCGHJDKKCOLWRW-KGLIPLIRSA-N 2 0 268.445 2.831 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)C12CCC2 ZINC000925602910 648235577 /nfs/dbraw/zinc/23/55/77/648235577.db2.gz YXULUEPZTOBLSN-CABCVRRESA-N 2 0 256.349 2.792 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)Oc1ccccc1 ZINC000925604181 648236056 /nfs/dbraw/zinc/23/60/56/648236056.db2.gz VFIICQAUGBXPLZ-SIXLDLHFSA-N 2 0 288.435 2.820 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccccc1 ZINC000925608432 648238070 /nfs/dbraw/zinc/23/80/70/648238070.db2.gz XRVXJAPGGXJBSZ-UAGQMJEPSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)c1ccc(F)cc1 ZINC000925610428 648239096 /nfs/dbraw/zinc/23/90/96/648239096.db2.gz FAAOWFQTFVYMCS-KSYCFECVSA-N 2 0 294.414 2.743 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615556 648240372 /nfs/dbraw/zinc/24/03/72/648240372.db2.gz OKQWLDKKIXJPDM-ILTLLKDXSA-N 2 0 268.445 2.566 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@H](C)[C@H]1OC ZINC000925615499 648240548 /nfs/dbraw/zinc/24/05/48/648240548.db2.gz NORHYNVUWUWFTM-VQJWOFKYSA-N 2 0 280.456 2.686 20 0 CFADRP CCC(O)(CC)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925616446 648241539 /nfs/dbraw/zinc/24/15/39/648241539.db2.gz MNNXOVGEPKHRBO-HNNXBMFYSA-N 2 0 264.413 2.607 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925621791 648244181 /nfs/dbraw/zinc/24/41/81/648244181.db2.gz GKUDRJNIWRFQCO-INIZCTEOSA-N 2 0 278.440 2.855 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925621459 648244277 /nfs/dbraw/zinc/24/42/77/648244277.db2.gz DKWGZZYPQXLOEO-IXDOHACOSA-N 2 0 295.515 2.862 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925624519 648244963 /nfs/dbraw/zinc/24/49/63/648244963.db2.gz YXDSQBUGZONIHL-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925623332 648245259 /nfs/dbraw/zinc/24/52/59/648245259.db2.gz UKMGLXPSUQJUKT-HNNXBMFYSA-N 2 0 279.472 2.514 20 0 CFADRP Oc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925623335 648245304 /nfs/dbraw/zinc/24/53/04/648245304.db2.gz ULIHPRYWMKSLLU-QZTJIDSGSA-N 2 0 288.435 2.693 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925623077 648245545 /nfs/dbraw/zinc/24/55/45/648245545.db2.gz RBKGUSOMKHTQGH-NRXISQOPSA-N 2 0 266.429 2.597 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cs1 ZINC000925625397 648246124 /nfs/dbraw/zinc/24/61/24/648246124.db2.gz DTSZJSQNVRNULP-QWHCGFSZSA-N 2 0 293.480 2.843 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925626918 648246732 /nfs/dbraw/zinc/24/67/32/648246732.db2.gz VDCXIBBSUBKDDK-ZWKOTPCHSA-N 2 0 287.451 2.690 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925626722 648246771 /nfs/dbraw/zinc/24/67/71/648246771.db2.gz SZZNPDXVLJISQK-IHRRRGAJSA-N 2 0 270.461 2.525 20 0 CFADRP C[C@H](CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+]1CCCCC1 ZINC000925637399 648254544 /nfs/dbraw/zinc/25/45/44/648254544.db2.gz KFSSTROMILBPKU-OWCLPIDISA-N 2 0 281.488 2.747 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925636662 648254717 /nfs/dbraw/zinc/25/47/17/648254717.db2.gz ZQVWPVLEQXEYDJ-CRWXNKLISA-N 2 0 268.470 2.638 20 0 CFADRP C[C@H](CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+]1CCCCC1 ZINC000925637398 648255137 /nfs/dbraw/zinc/25/51/37/648255137.db2.gz KFSSTROMILBPKU-OAGGEKHMSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000925638545 648256000 /nfs/dbraw/zinc/25/60/00/648256000.db2.gz DEYGKJDMGGEFSX-NVXWUHKLSA-N 2 0 289.467 2.787 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C[C@H]1CCCCO1 ZINC000925638989 648256191 /nfs/dbraw/zinc/25/61/91/648256191.db2.gz ICICEMXKFLLTAZ-CABCVRRESA-N 2 0 266.429 2.600 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925639104 648256276 /nfs/dbraw/zinc/25/62/76/648256276.db2.gz JTDPPSUSKAPEEB-OPRDCNLKSA-N 2 0 252.324 2.823 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCC[C@@H]2CCCCO2)C[C@@H]([NH3+])C1 ZINC000925640161 648257357 /nfs/dbraw/zinc/25/73/57/648257357.db2.gz QOVVESMHTKIZLL-ILXRZTDVSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000925643556 648258242 /nfs/dbraw/zinc/25/82/42/648258242.db2.gz WRANSTZEEUNCQN-RKTXRCNFSA-N 2 0 287.451 2.537 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925648872 648260454 /nfs/dbraw/zinc/26/04/54/648260454.db2.gz YHFNKGLTDOJKRZ-UYSNPLJNSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000925650989 648261424 /nfs/dbraw/zinc/26/14/24/648261424.db2.gz UKEYKSHOFSQIBG-NVXWUHKLSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000925650988 648261932 /nfs/dbraw/zinc/26/19/32/648261932.db2.gz UKEYKSHOFSQIBG-DOTOQJQBSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000925651914 648262545 /nfs/dbraw/zinc/26/25/45/648262545.db2.gz LDECNEFAWRJQRJ-QGTPRVQTSA-N 2 0 287.451 2.681 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C12CCC2 ZINC000925652962 648262864 /nfs/dbraw/zinc/26/28/64/648262864.db2.gz JFMJRBIDEQYGMN-NXHRZFHOSA-N 2 0 299.462 2.763 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000925655523 648265128 /nfs/dbraw/zinc/26/51/28/648265128.db2.gz VRZFAKMSIUJOOX-NVXWUHKLSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@@H](N)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662438 648268799 /nfs/dbraw/zinc/26/87/99/648268799.db2.gz ZYGQNJHAHYCCLP-KDOFPFPSSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)n1 ZINC000925664307 648269894 /nfs/dbraw/zinc/26/98/94/648269894.db2.gz CVJINQOBYGGROL-GOEBONIOSA-N 2 0 275.440 2.818 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)C1 ZINC000925666158 648269923 /nfs/dbraw/zinc/26/99/23/648269923.db2.gz QUHGGZWRKQPXHB-RYUDHWBXSA-N 2 0 299.365 2.679 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000925667074 648270584 /nfs/dbraw/zinc/27/05/84/648270584.db2.gz UEIDXYAPISAAHA-BCLQGDPASA-N 2 0 258.409 2.910 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925668093 648271001 /nfs/dbraw/zinc/27/10/01/648271001.db2.gz URWVTJPJFTWHDX-KGLIPLIRSA-N 2 0 264.438 2.950 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925667827 648271229 /nfs/dbraw/zinc/27/12/29/648271229.db2.gz DTCRIBOBAJDWHH-GJZGRUSLSA-N 2 0 276.449 2.909 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925671092 648272518 /nfs/dbraw/zinc/27/25/18/648272518.db2.gz QLCFKFBHBRMBDM-VWYCJHECSA-N 2 0 276.346 2.695 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C1 ZINC000925671864 648272890 /nfs/dbraw/zinc/27/28/90/648272890.db2.gz SDRBDVYCNZANST-HUUCEWRRSA-N 2 0 287.451 2.999 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000925673825 648274537 /nfs/dbraw/zinc/27/45/37/648274537.db2.gz OWECYSJMMCWSEK-CVEARBPZSA-N 2 0 258.409 2.910 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C12CCC2 ZINC000925676716 648275265 /nfs/dbraw/zinc/27/52/65/648275265.db2.gz KUJGSZKRRDQDIS-WCQYABFASA-N 2 0 299.340 2.502 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000925679475 648277559 /nfs/dbraw/zinc/27/75/59/648277559.db2.gz CZYHUBDUXVJPDJ-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP FCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925684091 648278108 /nfs/dbraw/zinc/27/81/08/648278108.db2.gz ZOTJMOSITDWMNK-HZPDHXFCSA-N 2 0 298.446 2.511 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925683928 648278631 /nfs/dbraw/zinc/27/86/31/648278631.db2.gz BETHWGPXKSCXHG-ROUUACIJSA-N 3 0 293.499 2.619 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccccc1 ZINC000925691879 648282780 /nfs/dbraw/zinc/28/27/80/648282780.db2.gz KPCOFOXDFJVAPG-IBGZPJMESA-N 3 0 297.446 2.758 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925693779 648282833 /nfs/dbraw/zinc/28/28/33/648282833.db2.gz SAHFEGDFVUOHQG-GJZGRUSLSA-N 2 0 282.472 2.541 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccnc1 ZINC000925692656 648283047 /nfs/dbraw/zinc/28/30/47/648283047.db2.gz ORNNCQNYVYVMJZ-LSDHHAIUSA-N 2 0 275.440 2.855 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925697352 648285272 /nfs/dbraw/zinc/28/52/72/648285272.db2.gz FAXNTIGQFMIRTG-BCZNOBAESA-N 2 0 292.467 2.687 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000925700050 648285595 /nfs/dbraw/zinc/28/55/95/648285595.db2.gz NAQGQGIUIOIKKY-JVPBZIDWSA-N 2 0 295.430 2.552 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CN2 ZINC000925704551 648287081 /nfs/dbraw/zinc/28/70/81/648287081.db2.gz YJDBUQHDNWXYGK-JENIJYKNSA-N 2 0 299.462 2.781 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925704348 648287519 /nfs/dbraw/zinc/28/75/19/648287519.db2.gz GJSUQIYCWDWBED-FOIPXRHGSA-N 3 0 293.499 2.617 20 0 CFADRP CC(C)(F)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925708378 648289553 /nfs/dbraw/zinc/28/95/53/648289553.db2.gz LHXHDVLUPNCNLD-KGLIPLIRSA-N 2 0 256.409 2.883 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnn1C1CCC1 ZINC000925707591 648289579 /nfs/dbraw/zinc/28/95/79/648289579.db2.gz LRJRJYUQEPICPM-ZDUSSCGKSA-N 2 0 274.412 2.521 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925711125 648291801 /nfs/dbraw/zinc/29/18/01/648291801.db2.gz SRWWKMHBJMQOIZ-NEPJUHHUSA-N 2 0 258.356 2.686 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCC1 ZINC000925715320 648293913 /nfs/dbraw/zinc/29/39/13/648293913.db2.gz GPTABBJHVZUEIP-FXUDXRNXSA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000925721126 648296611 /nfs/dbraw/zinc/29/66/11/648296611.db2.gz AHISPUVWJJPIDU-YKDOHLLJSA-N 2 0 292.467 2.831 20 0 CFADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC(C1CCC1)C1CCC1 ZINC000925721637 648296886 /nfs/dbraw/zinc/29/68/86/648296886.db2.gz POTYVDDSGOABGW-OMPZMXGASA-N 2 0 292.467 2.545 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)CO2 ZINC000925723335 648298155 /nfs/dbraw/zinc/29/81/55/648298155.db2.gz PYWVTABRNDKVRU-KFWWJZLASA-N 2 0 288.435 2.794 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925725759 648298870 /nfs/dbraw/zinc/29/88/70/648298870.db2.gz VTRYTRLTLFQLPS-CWRNSKLLSA-N 2 0 282.497 2.888 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925727031 648300060 /nfs/dbraw/zinc/30/00/60/648300060.db2.gz BNDINQUIJMZLIY-KKOKHZNYSA-N 2 0 274.330 2.743 20 0 CFADRP CC1(C)CO[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925728124 648300094 /nfs/dbraw/zinc/30/00/94/648300094.db2.gz BCQSXXZDDIINTR-CVEARBPZSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC(F)(F)C1 ZINC000925733047 648301741 /nfs/dbraw/zinc/30/17/41/648301741.db2.gz FMKFQPOBIQQYHJ-QWRGUYRKSA-N 2 0 260.372 2.917 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)sn1 ZINC000925731900 648302131 /nfs/dbraw/zinc/30/21/31/648302131.db2.gz NKIJKPGFRRJEQV-GDBMZVCRSA-N 2 0 287.432 2.769 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cc12 ZINC000925739117 648304125 /nfs/dbraw/zinc/30/41/25/648304125.db2.gz SUFOMEYHFLYOKQ-JTQLQIEISA-N 2 0 280.441 2.721 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925737531 648304397 /nfs/dbraw/zinc/30/43/97/648304397.db2.gz QSUNUVRFKOQIFL-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC2(CCC2)CO1 ZINC000925772247 648316061 /nfs/dbraw/zinc/31/60/61/648316061.db2.gz HJQIHLDUZYSWMA-TWMKSMIVSA-N 2 0 292.467 2.846 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@H]2CC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925774434 648317047 /nfs/dbraw/zinc/31/70/47/648317047.db2.gz NUSNXSGEFUCOLE-XGUBFFRZSA-N 2 0 280.456 2.558 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000925775507 648319221 /nfs/dbraw/zinc/31/92/21/648319221.db2.gz GUEWHTVANIYUKS-VXGBXAGGSA-N 2 0 258.356 2.544 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000925783472 648321967 /nfs/dbraw/zinc/32/19/67/648321967.db2.gz OVJOCWRFKSXYQS-JKSUJKDBSA-N 2 0 294.389 2.842 20 0 CFADRP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000925783587 648322363 /nfs/dbraw/zinc/32/23/63/648322363.db2.gz FVCQTKPBOMCLQF-COXVUDFISA-N 2 0 258.409 2.891 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000925786807 648323464 /nfs/dbraw/zinc/32/34/64/648323464.db2.gz VJENVDVHFWVTRJ-TYNCELHUSA-N 2 0 294.826 2.999 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925790844 648323893 /nfs/dbraw/zinc/32/38/93/648323893.db2.gz LGQUGECJJXZBPN-NFAWXSAZSA-N 2 0 262.397 2.591 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000925791186 648325891 /nfs/dbraw/zinc/32/58/91/648325891.db2.gz ORJCYWBXXXZHNJ-VHDGCEQUSA-N 2 0 292.423 2.600 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798468 648326686 /nfs/dbraw/zinc/32/66/86/648326686.db2.gz KVJYZPIYJHZWGH-FRRDWIJNSA-N 2 0 252.427 2.953 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000925799205 648327126 /nfs/dbraw/zinc/32/71/26/648327126.db2.gz NSPATUHRQZXHCY-JHJVBQTASA-N 2 0 250.361 2.722 20 0 CFADRP CSC1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925803374 648327619 /nfs/dbraw/zinc/32/76/19/648327619.db2.gz YOYVQMUVGCQDQU-JXQTWKCFSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000925799377 648327631 /nfs/dbraw/zinc/32/76/31/648327631.db2.gz UMRPZLVHUODPMQ-FRFSOERESA-N 2 0 290.476 2.852 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925803950 648328495 /nfs/dbraw/zinc/32/84/95/648328495.db2.gz BANOOZXCLQLAJH-ROUUACIJSA-N 2 0 298.434 2.664 20 0 CFADRP c1ccc(C2(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925806331 648329149 /nfs/dbraw/zinc/32/91/49/648329149.db2.gz ZTKGXIXAAJZMEK-KVDVXYDOSA-N 2 0 282.431 2.694 20 0 CFADRP c1ccc(C2(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925806328 648329221 /nfs/dbraw/zinc/32/92/21/648329221.db2.gz ZTKGXIXAAJZMEK-GCDKYVQMSA-N 2 0 282.431 2.694 20 0 CFADRP CC(C)c1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808709 648329747 /nfs/dbraw/zinc/32/97/47/648329747.db2.gz DITFXDJETVRPPC-OAHLLOKOSA-N 2 0 289.467 2.884 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CCOCC1 ZINC000925809750 648330984 /nfs/dbraw/zinc/33/09/84/648330984.db2.gz WIHNVCOOCUJMGQ-HNNXBMFYSA-N 2 0 282.472 2.951 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)CCO1 ZINC000925809114 648331200 /nfs/dbraw/zinc/33/12/00/648331200.db2.gz SHUBJSVJCJFPFD-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CCC1CC[NH2+]CC1 ZINC000925810143 648331221 /nfs/dbraw/zinc/33/12/21/648331221.db2.gz XEVYLXSEAWZDKC-QZTJIDSGSA-N 3 0 293.499 2.763 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccnn1CC1CCC1 ZINC000925812111 648331303 /nfs/dbraw/zinc/33/13/03/648331303.db2.gz HBKCZVNSXGQCPF-UKRRQHHQSA-N 2 0 299.422 2.545 20 0 CFADRP c1cc(CN2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCC12CCC2 ZINC000925817566 648332763 /nfs/dbraw/zinc/33/27/63/648332763.db2.gz QFRSRTQLAQHEGE-SFHVURJKSA-N 2 0 299.462 2.514 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000925826033 648335279 /nfs/dbraw/zinc/33/52/79/648335279.db2.gz KWQPXIVTJGXTNM-ZLDLUXBVSA-N 2 0 266.360 2.565 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@]12CCC[C@H]1OCC2 ZINC000925830097 648336541 /nfs/dbraw/zinc/33/65/41/648336541.db2.gz FMFLGLMGSSQWHB-IGKNDFSCSA-N 2 0 292.467 2.846 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925831724 648337378 /nfs/dbraw/zinc/33/73/78/648337378.db2.gz LYSQOPYQPDUNMY-CKIKVBCHSA-N 2 0 276.346 2.695 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839578 648340323 /nfs/dbraw/zinc/34/03/23/648340323.db2.gz HSPIMYRTRJSBKF-HLPPOEQASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842404 648342250 /nfs/dbraw/zinc/34/22/50/648342250.db2.gz MXQOZMNBBXPLPR-NWANDNLSSA-N 2 0 264.438 2.801 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000925861470 648347807 /nfs/dbraw/zinc/34/78/07/648347807.db2.gz QDKXIPUOZUUODG-MELADBBJSA-N 2 0 268.470 2.782 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925862091 648347872 /nfs/dbraw/zinc/34/78/72/648347872.db2.gz XVQDNQFUDALYND-MELADBBJSA-N 2 0 268.470 2.912 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)C1 ZINC000925873909 648351995 /nfs/dbraw/zinc/35/19/95/648351995.db2.gz NEYQFCGOSWFVNP-VYDXJSESSA-N 2 0 274.408 2.550 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2OCCc3ccccc32)C1 ZINC000925873907 648352077 /nfs/dbraw/zinc/35/20/77/648352077.db2.gz NEYQFCGOSWFVNP-HLLBOEOZSA-N 2 0 274.408 2.550 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925879644 648353795 /nfs/dbraw/zinc/35/37/95/648353795.db2.gz BFEUSJRVAVLSJG-FGTMMUONSA-N 2 0 288.435 2.940 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)C(F)F)C1 ZINC000925882705 648354823 /nfs/dbraw/zinc/35/48/23/648354823.db2.gz QAJJSLWUFIMLIB-BFHYXJOUSA-N 2 0 268.351 2.580 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000925883881 648355356 /nfs/dbraw/zinc/35/53/56/648355356.db2.gz YQSHFLUMRICZPU-QCNOEVLYSA-N 2 0 264.335 2.825 20 0 CFADRP C[C@H](CC1CC1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887425 648356480 /nfs/dbraw/zinc/35/64/80/648356480.db2.gz CPTDRUCSXYPMEH-XYPHTWIQSA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000926113082 648407438 /nfs/dbraw/zinc/40/74/38/648407438.db2.gz BXBSWKUUXUUZSE-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CC2(C1)CCCC2 ZINC000926151265 648417283 /nfs/dbraw/zinc/41/72/83/648417283.db2.gz SAIMFKUBBYXOFY-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)S2)C1CC[NH+](C2CC2)CC1 ZINC000926306851 648458721 /nfs/dbraw/zinc/45/87/21/648458721.db2.gz IFRQSXSMGQBVKK-VHRNVKJDSA-N 2 0 280.481 2.877 20 0 CFADRP C1CC([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]2CCOC2)C1 ZINC000926338553 648466043 /nfs/dbraw/zinc/46/60/43/648466043.db2.gz ZEYSENUAYBOJRO-CPFNUKBASA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC1(O)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926377446 648475588 /nfs/dbraw/zinc/47/55/88/648475588.db2.gz ATYVLNTWYTYWPS-CQSZACIVSA-N 2 0 276.424 2.704 20 0 CFADRP C(CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12)CC[NH+]1CCCC1 ZINC000926486465 648505676 /nfs/dbraw/zinc/50/56/76/648505676.db2.gz HBUPCAVGRKKIBF-MSOLQXFVSA-N 3 0 293.499 2.859 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)on1 ZINC000926488214 648506862 /nfs/dbraw/zinc/50/68/62/648506862.db2.gz WSJPMNRKLQUERE-ZDUSSCGKSA-N 2 0 281.400 2.600 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)ccc12 ZINC000926567744 648536108 /nfs/dbraw/zinc/53/61/08/648536108.db2.gz MWJCLWPPLRTERY-DOTOQJQBSA-N 2 0 285.391 2.629 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCOC34CCCCC4)ccc12 ZINC000926568213 648536264 /nfs/dbraw/zinc/53/62/64/648536264.db2.gz RDSMSJODMNDGPN-INIZCTEOSA-N 2 0 285.391 2.916 20 0 CFADRP OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568396 648537055 /nfs/dbraw/zinc/53/70/55/648537055.db2.gz XMRKLHZFRIINMX-NVXWUHKLSA-N 2 0 287.407 2.755 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cn2c(n1)CCCC2 ZINC000926573754 648539435 /nfs/dbraw/zinc/53/94/35/648539435.db2.gz PLFPJPPULUQAFI-HUUCEWRRSA-N 2 0 290.455 2.602 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cn2c(n1)CCCC2 ZINC000926573753 648539464 /nfs/dbraw/zinc/53/94/64/648539464.db2.gz PLFPJPPULUQAFI-GJZGRUSLSA-N 2 0 290.455 2.602 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H]1COC[C@H]1C)C1CCCCC1 ZINC000926652415 648563391 /nfs/dbraw/zinc/56/33/91/648563391.db2.gz SMTAGAHRSYOMGP-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926710082 648585785 /nfs/dbraw/zinc/58/57/85/648585785.db2.gz ASQOPHNYMDYQFT-RHSMWYFYSA-N 2 0 290.451 2.807 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000926752877 648602014 /nfs/dbraw/zinc/60/20/14/648602014.db2.gz DAKZNGDMGHQEIP-PBHICJAKSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000926755298 648603499 /nfs/dbraw/zinc/60/34/99/648603499.db2.gz WOBMYUFCGBLYAT-UQPPLGOBSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926756954 648604234 /nfs/dbraw/zinc/60/42/34/648604234.db2.gz AAIPRCGUCXNGAU-XYPHTWIQSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926783151 648613960 /nfs/dbraw/zinc/61/39/60/648613960.db2.gz PFHSNZOHFGHDSO-WVZRYYJFSA-N 2 0 276.424 2.965 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1 ZINC000926794997 648618798 /nfs/dbraw/zinc/61/87/98/648618798.db2.gz CWTKYPVGHDHKDJ-VQCLRJIVSA-N 2 0 293.459 2.773 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CCC(C)([NH+](C)C)CC3)C2)CO1 ZINC000926795698 648619717 /nfs/dbraw/zinc/61/97/17/648619717.db2.gz IEHSTZQDHHPCAA-SIGVMEELSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926798457 648621173 /nfs/dbraw/zinc/62/11/73/648621173.db2.gz UBCLRLGHESUAOI-YZUHTNEWSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cn(C)cn1 ZINC000926888237 648646233 /nfs/dbraw/zinc/64/62/33/648646233.db2.gz JPOSFYYUDJLMEK-UQPPLGOBSA-N 2 0 290.455 2.868 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cn(C)cn1 ZINC000926888236 648646361 /nfs/dbraw/zinc/64/63/61/648646361.db2.gz JPOSFYYUDJLMEK-HPUBIQBYSA-N 2 0 290.455 2.868 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnc2ccccc2c1 ZINC000926924088 648659944 /nfs/dbraw/zinc/65/99/44/648659944.db2.gz WFRIRPFNXFNWEK-JJTKIYQPSA-N 2 0 295.430 2.707 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000926951212 648669203 /nfs/dbraw/zinc/66/92/03/648669203.db2.gz XPFPNAVFZDJZRC-WCQYABFASA-N 2 0 276.346 2.649 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000927014402 648682452 /nfs/dbraw/zinc/68/24/52/648682452.db2.gz FCDMXEOVNJRTAT-INIZCTEOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC[N@@H+]1C ZINC000927018153 648684146 /nfs/dbraw/zinc/68/41/46/648684146.db2.gz OHFAXZMCYQIVRG-ILXRZTDVSA-N 2 0 266.429 2.551 20 0 CFADRP CCn1ccnc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038260 648689743 /nfs/dbraw/zinc/68/97/43/648689743.db2.gz PENISRVSIZYNCO-HPUBIQBYSA-N 2 0 290.455 2.961 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)[C@H]2CCC[C@H]21 ZINC000927064523 648694360 /nfs/dbraw/zinc/69/43/60/648694360.db2.gz WJDXGDJZMLMSEA-LTIDMASMSA-N 2 0 285.435 2.921 20 0 CFADRP C(C[C@H]1CCC2(CCC2)O1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000927127447 648721676 /nfs/dbraw/zinc/72/16/76/648721676.db2.gz HIPJCHIIUGDKJE-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP Cc1nnsc1[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000929506821 649063053 /nfs/dbraw/zinc/06/30/53/649063053.db2.gz OBSOFSZXQHBNGY-CYBMUJFWSA-N 2 0 296.484 2.960 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000929697357 649100008 /nfs/dbraw/zinc/10/00/08/649100008.db2.gz SJUDIFDPUYPSHY-VVLHAWIVSA-N 2 0 280.456 2.608 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000929747463 649110032 /nfs/dbraw/zinc/11/00/32/649110032.db2.gz CZXAFYZGHVWHFG-CVEARBPZSA-N 2 0 270.461 2.569 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929749044 649111163 /nfs/dbraw/zinc/11/11/63/649111163.db2.gz NPFQFYKKXOZQCQ-APIJFGDWSA-N 2 0 286.410 2.941 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929764171 649115793 /nfs/dbraw/zinc/11/57/93/649115793.db2.gz QNHDDVAEQRJUPU-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP CC1CC(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000929763470 649115848 /nfs/dbraw/zinc/11/58/48/649115848.db2.gz RTTQFYKDGSETJR-UHFFFAOYSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000929779160 649120293 /nfs/dbraw/zinc/12/02/93/649120293.db2.gz DYDUELVXNKOSFK-SIRPWMCASA-N 2 0 282.472 2.995 20 0 CFADRP COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000929837954 649135814 /nfs/dbraw/zinc/13/58/14/649135814.db2.gz YJBGLTRPKLCLNO-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000929960185 649156138 /nfs/dbraw/zinc/15/61/38/649156138.db2.gz BKAWEILHEHTGOA-FICVDOATSA-N 2 0 268.445 2.652 20 0 CFADRP Cc1nnsc1[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000930145720 649193443 /nfs/dbraw/zinc/19/34/43/649193443.db2.gz LSBKJUUNGCCBCZ-CYBMUJFWSA-N 2 0 296.484 2.961 20 0 CFADRP COC[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000930309485 649227584 /nfs/dbraw/zinc/22/75/84/649227584.db2.gz JKIXFHQUNUUTBN-MRXNPFEDSA-N 2 0 282.472 2.713 20 0 CFADRP CC[C@@H](CO)[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000930373750 649239569 /nfs/dbraw/zinc/23/95/69/649239569.db2.gz LTFNRKKPBUQXGK-GJZGRUSLSA-N 2 0 296.480 2.581 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCCC3(CCC3)O1)C2 ZINC000930602535 649284075 /nfs/dbraw/zinc/28/40/75/649284075.db2.gz WCRGPGCSFNLWNN-DLBZAZTESA-N 2 0 292.467 2.896 20 0 CFADRP Cc1nc(-c2ccccc2)oc1CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277269 649401018 /nfs/dbraw/zinc/40/10/18/649401018.db2.gz NNRQMWQDAWWEFV-QLPKVWCKSA-N 2 0 297.402 2.642 20 0 CFADRP Cc1cccc(Cl)c1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481594 649438819 /nfs/dbraw/zinc/43/88/19/649438819.db2.gz UJUUFATWCHFZFS-UHFFFAOYSA-N 2 0 296.842 2.537 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000931482480 649438846 /nfs/dbraw/zinc/43/88/46/649438846.db2.gz VDGZXEFUSPBTAB-UHFFFAOYSA-N 2 0 298.377 2.513 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CCc2nccc(N)c2C1 ZINC000931512545 649444588 /nfs/dbraw/zinc/44/45/88/649444588.db2.gz JLBRIZJEUHSMEN-UHFFFAOYSA-N 2 0 281.403 2.963 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000931718733 649478090 /nfs/dbraw/zinc/47/80/90/649478090.db2.gz UMYYWUQFPZPOHC-FRRDWIJNSA-N 2 0 258.356 2.590 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933083900 649670868 /nfs/dbraw/zinc/67/08/68/649670868.db2.gz LNHHUYSOWCQSKK-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C2CCOCC2)C1 ZINC000933083904 649671021 /nfs/dbraw/zinc/67/10/21/649671021.db2.gz LNHHUYSOWCQSKK-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CCCC3(F)F)C[C@]2(C)C1 ZINC000933733791 649718314 /nfs/dbraw/zinc/71/83/14/649718314.db2.gz WIJWDWZCEBXSQE-MCIONIFRSA-N 2 0 272.383 2.695 20 0 CFADRP CN1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)C[C@]2(C)C1 ZINC000933739767 649718326 /nfs/dbraw/zinc/71/83/26/649718326.db2.gz LZJUJZDXVNUMIQ-XYPHTWIQSA-N 2 0 274.383 2.697 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC000933733885 649718738 /nfs/dbraw/zinc/71/87/38/649718738.db2.gz JQFQULYRUQBCHX-SCTDSRPQSA-N 2 0 284.447 2.990 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCCSC(C)(C)C)C[C@]2(C)C1 ZINC000933734392 649718781 /nfs/dbraw/zinc/71/87/81/649718781.db2.gz PBRFSSOKHRLFQG-HIFRSBDPSA-N 2 0 270.486 2.792 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934833074 649837057 /nfs/dbraw/zinc/83/70/57/649837057.db2.gz HXCUJPWUYZVQLE-YESZJQIVSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001235947972 778621217 /nfs/dbraw/zinc/62/12/17/778621217.db2.gz IUMSPKXNXXHJAA-RYUDHWBXSA-N 2 0 264.438 2.872 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235947435 778621354 /nfs/dbraw/zinc/62/13/54/778621354.db2.gz BDYZUEBUMGOJJS-OKILXGFUSA-N 2 0 250.430 2.744 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235779151 778558806 /nfs/dbraw/zinc/55/88/06/778558806.db2.gz XPDKBDKVEAKCBP-HNNXBMFYSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1Cl ZINC001235925584 778611190 /nfs/dbraw/zinc/61/11/90/778611190.db2.gz LGHIIBZZEAHOIN-ZDUSSCGKSA-N 2 0 252.789 2.962 20 0 CFADRP C(C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000094372486 779614655 /nfs/dbraw/zinc/61/46/55/779614655.db2.gz BCDCLPNTFDYTOG-OAHLLOKOSA-N 2 0 266.429 2.554 20 0 CFADRP C[N@H+]1CC=C(Nc2c[nH+]ccc2N2CCCCC2)CC1 ZINC001208802531 769943004 /nfs/dbraw/zinc/94/30/04/769943004.db2.gz NAILFSQGLFRPQR-UHFFFAOYSA-N 2 0 272.396 2.703 20 0 CFADRP COc1cc(C)c(C)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806803 769987373 /nfs/dbraw/zinc/98/73/73/769987373.db2.gz HLVHWQBMIQKQNU-LSDHHAIUSA-N 2 0 276.424 2.871 20 0 CFADRP COCCCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209218854 770019805 /nfs/dbraw/zinc/01/98/05/770019805.db2.gz QUAOPPVIQAPOKX-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000721418805 770137746 /nfs/dbraw/zinc/13/77/46/770137746.db2.gz YCJOPPPFUOHULO-OLZOCXBDSA-N 2 0 294.361 2.559 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(F)n2)CC1 ZINC001140134014 770192698 /nfs/dbraw/zinc/19/26/98/770192698.db2.gz ZDJPTYALHDDRNQ-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCSC3)CC2)cc1 ZINC000397594063 770266779 /nfs/dbraw/zinc/26/67/79/770266779.db2.gz KVDJRYIKWGSMDO-KRWDZBQOSA-N 2 0 290.476 2.994 20 0 CFADRP CCCOc1ccc(CN2CC[NH2+][C@H](C)CC2)cc1 ZINC001210475002 770291836 /nfs/dbraw/zinc/29/18/36/770291836.db2.gz KFOXQCJRIUJZDT-CQSZACIVSA-N 2 0 262.397 2.659 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000723654920 770640459 /nfs/dbraw/zinc/64/04/59/770640459.db2.gz JOKCTNYSBBLHJZ-HNNXBMFYSA-N 2 0 277.412 2.503 20 0 CFADRP CC(C)(C)c1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000723672080 770646968 /nfs/dbraw/zinc/64/69/68/770646968.db2.gz JDUYFXPXIUALLC-LLVKDONJSA-N 2 0 267.442 2.611 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000723685575 770649690 /nfs/dbraw/zinc/64/96/90/770649690.db2.gz JMTMFIAEDXPNMS-CYBMUJFWSA-N 2 0 271.364 2.512 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723690978 770650888 /nfs/dbraw/zinc/65/08/88/770650888.db2.gz CVCYIQLGWVDZET-QWRGUYRKSA-N 2 0 254.324 2.697 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1F ZINC000723901600 770709049 /nfs/dbraw/zinc/70/90/49/770709049.db2.gz RNKOTGLAZKWGTO-TZMCWYRMSA-N 2 0 250.361 2.551 20 0 CFADRP C(C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000723964979 770723034 /nfs/dbraw/zinc/72/30/34/770723034.db2.gz MOYCPZSFZRXEIX-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc(F)c(F)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001143412995 770755369 /nfs/dbraw/zinc/75/53/69/770755369.db2.gz JZRUIKPAIQJOGX-UHFFFAOYSA-N 2 0 296.361 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403570410 770786307 /nfs/dbraw/zinc/78/63/07/770786307.db2.gz ODGDPTAATGNROQ-WYTNZGFTSA-N 2 0 254.443 2.520 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001207261059 770855633 /nfs/dbraw/zinc/85/56/33/770855633.db2.gz KDWCVYCJYXEJFD-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCC2SCCS2)CC1 ZINC000693777788 773249142 /nfs/dbraw/zinc/24/91/42/773249142.db2.gz RYUOTCMEKAQDLN-UHFFFAOYSA-N 2 0 274.499 2.645 20 0 CFADRP C[NH+](C)CCC[N@H+](C)Cc1cccc2ccncc21 ZINC001140639648 773254295 /nfs/dbraw/zinc/25/42/95/773254295.db2.gz LKSBZDQADDJLKS-UHFFFAOYSA-N 2 0 257.381 2.618 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721541994 775143221 /nfs/dbraw/zinc/14/32/21/775143221.db2.gz PYKVLSMNSFVLGS-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000721550569 775151465 /nfs/dbraw/zinc/15/14/65/775151465.db2.gz PMAVKGZGJYGHBV-DZKIICNBSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405311551 775200758 /nfs/dbraw/zinc/20/07/58/775200758.db2.gz PCEAYGAVAUSXED-RTXFEEFZSA-N 2 0 250.411 2.539 20 0 CFADRP CC(C)[NH+]1CCC(OCCC[NH+]2CCCCC2)CC1 ZINC001224858199 775291468 /nfs/dbraw/zinc/29/14/68/775291468.db2.gz ATXHEVRWBGJLEY-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP C[NH+](C)CCCCOC1CC[NH+](C(C)(C)C)CC1 ZINC001224991243 775326856 /nfs/dbraw/zinc/32/68/56/775326856.db2.gz PYJWXVDWRUGUEV-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC(F)(F)C(C)(C)C2)CC1 ZINC001207393468 775345982 /nfs/dbraw/zinc/34/59/82/775345982.db2.gz ARNKKLHKSDIURP-UHFFFAOYSA-N 2 0 260.372 2.695 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC3(CCC(C)(C)O3)CC2)CC1 ZINC001207399176 775362249 /nfs/dbraw/zinc/36/22/49/775362249.db2.gz GIOSGTUHGBCWGO-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCSc3ccccc3C2)CC1 ZINC001207399718 775367978 /nfs/dbraw/zinc/36/79/78/775367978.db2.gz RRWADXPWXMHNPE-UHFFFAOYSA-N 2 0 276.449 2.936 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)Cc1cccs1 ZINC000925519125 775842738 /nfs/dbraw/zinc/84/27/38/775842738.db2.gz SEDPYHOVOQQZQM-FEYYQDBUSA-N 2 0 276.449 2.513 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226651752 775903492 /nfs/dbraw/zinc/90/34/92/775903492.db2.gz BANYMYWSCYOUQM-ZFWWWQNUSA-N 2 0 298.390 2.663 20 0 CFADRP Nc1cc(OC2CC[NH+](CCc3ccccc3)CC2)cc[nH+]1 ZINC001226653699 775905133 /nfs/dbraw/zinc/90/51/33/775905133.db2.gz NVGRNTBKBFXVML-UHFFFAOYSA-N 2 0 297.402 2.750 20 0 CFADRP CCC[NH+]1C[C@H]2C[NH+](CCc3ccc(OC)cc3)C[C@@H]2C1 ZINC001207479272 775924950 /nfs/dbraw/zinc/92/49/50/775924950.db2.gz RPLOCVCEBGWYAY-IRXDYDNUSA-N 2 0 288.435 2.511 20 0 CFADRP C[NH+]1CCC(CC[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC001207484490 775995797 /nfs/dbraw/zinc/99/57/97/775995797.db2.gz MSHKTSLMJJYKNV-UHFFFAOYSA-N 2 0 287.451 2.993 20 0 CFADRP CC(C)[N@H+](CCC1CC[NH+](C)CC1)C1CCOCC1 ZINC001207489195 776043074 /nfs/dbraw/zinc/04/30/74/776043074.db2.gz VHYIVPVZNASRIP-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP c1cc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000709495566 776144354 /nfs/dbraw/zinc/14/43/54/776144354.db2.gz VSMRSOSSGBDJJU-VFSICIBPSA-N 2 0 257.381 2.502 20 0 CFADRP [NH3+]CC1(F)CC[NH+](Cc2cccc3occc32)CC1 ZINC001222548511 776170864 /nfs/dbraw/zinc/17/08/64/776170864.db2.gz OXBFBRJEQFMHPU-UHFFFAOYSA-N 2 0 262.328 2.696 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000399151783 776515633 /nfs/dbraw/zinc/51/56/33/776515633.db2.gz JMSLDJWKDIFUOP-TUAOUCFPSA-N 2 0 277.239 2.787 20 0 CFADRP COc1ccc(CCC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC001207580640 776532750 /nfs/dbraw/zinc/53/27/50/776532750.db2.gz SUHMELWGIOZGEP-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cc(C)nn1C ZINC001167826900 776547378 /nfs/dbraw/zinc/54/73/78/776547378.db2.gz RSUXMQPHSDCNPO-HNNXBMFYSA-N 2 0 280.460 2.671 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC001167827857 776554843 /nfs/dbraw/zinc/55/48/43/776554843.db2.gz YNWCAIQQFPAQEX-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001167834070 776574142 /nfs/dbraw/zinc/57/41/42/776574142.db2.gz HEPYOTBSYBPZMC-GVDBMIGSSA-N 2 0 282.472 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCN1CCCC1 ZINC001167836535 776584929 /nfs/dbraw/zinc/58/49/29/776584929.db2.gz FDWVKJNSGHZMPR-INIZCTEOSA-N 2 0 269.477 2.525 20 0 CFADRP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167837429 776588499 /nfs/dbraw/zinc/58/84/99/776588499.db2.gz JULXNOYPGVXDID-CABCVRRESA-N 2 0 284.444 2.524 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001167839486 776590512 /nfs/dbraw/zinc/59/05/12/776590512.db2.gz YGGIPUWHKWEELM-HOTGVXAUSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001167839441 776590650 /nfs/dbraw/zinc/59/06/50/776590650.db2.gz XTEHUKGFGIOSKD-ILXRZTDVSA-N 2 0 256.434 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001167839500 776591512 /nfs/dbraw/zinc/59/15/12/776591512.db2.gz YKXNRYYCEGEZIZ-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001167840399 776599852 /nfs/dbraw/zinc/59/98/52/776599852.db2.gz GCFFHQLNNYRGBW-YESZJQIVSA-N 2 0 281.488 2.523 20 0 CFADRP CCC[N@H+](CC(=O)OCC)[C@H](C)CCC[NH+](CC)CC ZINC001167840983 776601284 /nfs/dbraw/zinc/60/12/84/776601284.db2.gz IZIDZSASUMJJDG-OAHLLOKOSA-N 2 0 286.460 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001167841907 776609480 /nfs/dbraw/zinc/60/94/80/776609480.db2.gz UIQDWDMBNGFAKB-CQSZACIVSA-N 2 0 291.439 2.656 20 0 CFADRP CC[NH+]1CCC(Oc2ccc3c(c2)CC[N@@H+](C)C3)CC1 ZINC001228936336 776662116 /nfs/dbraw/zinc/66/21/16/776662116.db2.gz GRQFOWUVPDPTRW-UHFFFAOYSA-N 2 0 274.408 2.538 20 0 CFADRP [NH2+]=CNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001167868740 776689479 /nfs/dbraw/zinc/68/94/79/776689479.db2.gz NODSVEFDKSVSCN-UHFFFAOYSA-N 2 0 256.353 2.825 20 0 CFADRP COc1cc(F)c(C(C)C)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881006 776715395 /nfs/dbraw/zinc/71/53/95/776715395.db2.gz CGPIAWLRBZYIGH-UHFFFAOYSA-N 2 0 296.390 2.633 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)s1 ZINC001139827976 776783426 /nfs/dbraw/zinc/78/34/26/776783426.db2.gz FCFNPJSHARTWFO-UHFFFAOYSA-N 2 0 294.464 2.812 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cccc(F)c1OC ZINC001143534307 776817480 /nfs/dbraw/zinc/81/74/80/776817480.db2.gz PMZSPBIJNITXSM-UHFFFAOYSA-N 2 0 282.403 2.998 20 0 CFADRP Cc1cc(NC(=[NH2+])SCC[NH3+])cc2cccnc12 ZINC001167911932 776834006 /nfs/dbraw/zinc/83/40/06/776834006.db2.gz HCBDKYHSRLQZPK-UHFFFAOYSA-N 2 0 260.366 2.582 20 0 CFADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001229746063 776886656 /nfs/dbraw/zinc/88/66/56/776886656.db2.gz GNQKEROUUJDVLW-OAGGEKHMSA-N 2 0 297.487 2.534 20 0 CFADRP COc1ccc2c(cc[nH+]c2N2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC000300422969 776904758 /nfs/dbraw/zinc/90/47/58/776904758.db2.gz MXSQDTHMFWYXCT-OLZOCXBDSA-N 2 0 285.391 2.807 20 0 CFADRP CC[N@@H+]1CCC[C@H](Oc2ccc(F)cc2C[NH+](C)C)C1 ZINC001229858629 776906538 /nfs/dbraw/zinc/90/65/38/776906538.db2.gz PIFQJWWRCYXFNO-HNNXBMFYSA-N 2 0 280.387 2.750 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709971975 776948276 /nfs/dbraw/zinc/94/82/76/776948276.db2.gz QLNIVPXFDLCZSS-RHSMWYFYSA-N 2 0 276.399 2.832 20 0 CFADRP c1cc(CN2CC[C@@H]3C[N@@H+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)ccn1 ZINC001167934592 776974259 /nfs/dbraw/zinc/97/42/59/776974259.db2.gz HOUNHRMIPWXKDF-GFEQUFNTSA-N 2 0 297.446 2.634 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000710794333 777113009 /nfs/dbraw/zinc/11/30/09/777113009.db2.gz RGSVHVYDEOIOGS-VPSFDDGASA-N 2 0 256.393 2.759 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231738243 777320287 /nfs/dbraw/zinc/32/02/87/777320287.db2.gz PFCGKLHICOAJTK-UHFFFAOYSA-N 2 0 282.815 2.819 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@]1(C)O ZINC001232010845 777411061 /nfs/dbraw/zinc/41/10/61/777411061.db2.gz DTBYXTMOTWMZOT-WBMJQRKESA-N 2 0 273.380 2.546 20 0 CFADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(O)c1 ZINC001232011998 777411282 /nfs/dbraw/zinc/41/12/82/777411282.db2.gz RZCDXPYZHBLGNP-UHFFFAOYSA-N 2 0 267.332 2.901 20 0 CFADRP CCO[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013730 777412360 /nfs/dbraw/zinc/41/23/60/777412360.db2.gz DIBXRAGRTMHOBZ-CQSZACIVSA-N 2 0 259.353 2.564 20 0 CFADRP COc1cccc2[nH]cc(C[NH+]3CCC4(C[NH+](C)C4)CC3)c21 ZINC001232038800 777420389 /nfs/dbraw/zinc/42/03/89/777420389.db2.gz PVNDCHOEBWCAGJ-UHFFFAOYSA-N 2 0 299.418 2.704 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(F)CC2)c1 ZINC001232144953 777450072 /nfs/dbraw/zinc/45/00/72/777450072.db2.gz PLWKZVMBIKWVGT-UHFFFAOYSA-N 2 0 268.351 2.821 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001232150506 777451106 /nfs/dbraw/zinc/45/11/06/777451106.db2.gz XGHLOMBLYVNUSW-ZBFHGGJFSA-N 2 0 262.372 2.872 20 0 CFADRP CC1(C)C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCO1 ZINC001167995666 777530742 /nfs/dbraw/zinc/53/07/42/777530742.db2.gz NKYGGAYOMANVRA-SJPCQFCGSA-N 2 0 292.467 2.893 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cnc(OC)cc1C ZINC001232354606 777535114 /nfs/dbraw/zinc/53/51/14/777535114.db2.gz SDHORONTAAJBOE-UHFFFAOYSA-N 2 0 279.428 2.562 20 0 CFADRP c1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2c1C[NH2+]CC2 ZINC001168002049 777561923 /nfs/dbraw/zinc/56/19/23/777561923.db2.gz CJDKGRGNPNFCOC-SJPCQFCGSA-N 2 0 285.435 2.712 20 0 CFADRP C[C@@H]1C[C@@H](NCC[NH+](C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007511 777585049 /nfs/dbraw/zinc/58/50/49/777585049.db2.gz SMVFDQTVBWELBU-ALXJQNPVSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168014572 777642568 /nfs/dbraw/zinc/64/25/68/777642568.db2.gz LYGDSTCYZBENCS-CUSZFKRNSA-N 2 0 290.451 2.646 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4ncsc43)C2)C1 ZINC001232736929 777651885 /nfs/dbraw/zinc/65/18/85/777651885.db2.gz SLSXMRACOGEKTK-INIZCTEOSA-N 2 0 287.432 2.824 20 0 CFADRP CC[N@H+](C)C1CCN(Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232868453 777700484 /nfs/dbraw/zinc/70/04/84/777700484.db2.gz LPJGLIIAUMMDHG-UHFFFAOYSA-N 2 0 287.407 2.790 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(C3CCC3)CC2)CC1 ZINC000895338566 777708162 /nfs/dbraw/zinc/70/81/62/777708162.db2.gz RXUAQMMQGPBBMB-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1O ZINC001233234038 777836836 /nfs/dbraw/zinc/83/68/36/777836836.db2.gz IOHIBCZMOZDDND-UHFFFAOYSA-N 2 0 274.408 2.618 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC001168074981 777940925 /nfs/dbraw/zinc/94/09/25/777940925.db2.gz MACXFBOVLGJXAN-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000714258950 777974941 /nfs/dbraw/zinc/97/49/41/777974941.db2.gz WLJWJAFCGJNUDY-WCXIOVBPSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168094581 778032150 /nfs/dbraw/zinc/03/21/50/778032150.db2.gz WARZKTMSZSNIET-ZQDZILKHSA-N 2 0 254.418 2.534 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C(C)(F)F)C1CC[NH+](C)CC1 ZINC000697140847 778066933 /nfs/dbraw/zinc/06/69/33/778066933.db2.gz NAOAOSGGOCBKCK-NSHDSACASA-N 2 0 262.388 2.988 20 0 CFADRP CC[C@H](C)[N@@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001277808250 778078761 /nfs/dbraw/zinc/07/87/61/778078761.db2.gz UXJXHXDHBPJWOV-DOTOQJQBSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001168137081 778136889 /nfs/dbraw/zinc/13/68/89/778136889.db2.gz NAOCJXYZTAADMA-QZWWFDLISA-N 2 0 280.456 2.893 20 0 CFADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168145528 778158974 /nfs/dbraw/zinc/15/89/74/778158974.db2.gz SXLNATWJNDWRRO-GDBMZVCRSA-N 2 0 289.423 2.516 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277881550 778293557 /nfs/dbraw/zinc/29/35/57/778293557.db2.gz ZPQCXVRYSHQVCE-QGZVFWFLSA-N 2 0 296.455 2.528 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)sc1C ZINC001235001009 778350808 /nfs/dbraw/zinc/35/08/08/778350808.db2.gz QXXZDQXHGCPRJA-OAHLLOKOSA-N 2 0 264.438 2.940 20 0 CFADRP Cc1ccc2ccccc2c1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006847 778351381 /nfs/dbraw/zinc/35/13/81/778351381.db2.gz MDCFBEQDIWEUJC-MAUKXSAKSA-N 2 0 266.388 2.942 20 0 CFADRP CCCC[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092526 778376978 /nfs/dbraw/zinc/37/69/78/778376978.db2.gz IXRMZJZKSHABTM-UHFFFAOYSA-N 2 0 258.409 2.924 20 0 CFADRP c1c[nH]c(C[N@@H+]2CCCC3(CC[NH+](C4CC4)CC3)C2)c1 ZINC001277923047 778381490 /nfs/dbraw/zinc/38/14/90/778381490.db2.gz QPYFOFGFZPEEQK-UHFFFAOYSA-N 2 0 273.424 2.855 20 0 CFADRP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](C3CC3)C[C@H]2CC1 ZINC001277923533 778383935 /nfs/dbraw/zinc/38/39/35/778383935.db2.gz ZYDVOAWPWSSSAL-OKILXGFUSA-N 2 0 291.464 2.758 20 0 CFADRP COc1cc(C)c(CN2CCC[C@]23CC[NH2+]C3)c(C)c1C ZINC001235110689 778384758 /nfs/dbraw/zinc/38/47/58/778384758.db2.gz LOUXEIXZLBPADQ-GOSISDBHSA-N 2 0 288.435 2.948 20 0 CFADRP c1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc2c1CCN2 ZINC001235132336 778395910 /nfs/dbraw/zinc/39/59/10/778395910.db2.gz JDTWWOIAMSVZLO-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP C[NH2+]CCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235150909 778398145 /nfs/dbraw/zinc/39/81/45/778398145.db2.gz BECCVFJKOGQWEJ-UHFFFAOYSA-N 2 0 258.409 2.576 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cccccc1-2 ZINC001235184854 778405689 /nfs/dbraw/zinc/40/56/89/778405689.db2.gz PTTBNAIWSIBIRP-WBVHZDCISA-N 2 0 266.388 2.833 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235191708 778408891 /nfs/dbraw/zinc/40/88/91/778408891.db2.gz WPJGQWVUGKRRRJ-WBVHZDCISA-N 2 0 288.435 2.824 20 0 CFADRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc(Cl)nc2)CC1 ZINC001168294664 778410573 /nfs/dbraw/zinc/41/05/73/778410573.db2.gz AQALYRUBOREMQC-UHFFFAOYSA-N 2 0 280.803 2.523 20 0 CFADRP CN(C)c1ccc(CC[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168295147 778411094 /nfs/dbraw/zinc/41/10/94/778411094.db2.gz WAXHLOUVYXMUQH-UHFFFAOYSA-N 2 0 289.467 2.758 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@]23C[C@H]4C[C@@H](C2)C[C@](O)(C4)C3)CC1 ZINC001168298441 778412111 /nfs/dbraw/zinc/41/21/11/778412111.db2.gz UKBDDDJZCPUTBB-XSTFNKQASA-N 2 0 292.467 2.533 20 0 CFADRP CN(C)[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168298042 778413386 /nfs/dbraw/zinc/41/33/86/778413386.db2.gz YUGOLPBALSXDBQ-DAWZGUTISA-N 2 0 289.467 2.752 20 0 CFADRP C[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)c1ccc(O)cc1 ZINC001168299233 778414488 /nfs/dbraw/zinc/41/44/88/778414488.db2.gz IDISCSGJHBXISR-IUDNXUCKSA-N 2 0 276.424 2.958 20 0 CFADRP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235210628 778417145 /nfs/dbraw/zinc/41/71/45/778417145.db2.gz OYQFMCCXLQZZQJ-ZSGPHXLJSA-N 2 0 272.436 2.878 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001235225356 778422023 /nfs/dbraw/zinc/42/20/23/778422023.db2.gz TWFZDXJBAFVONA-IAGOWNOFSA-N 2 0 299.462 2.718 20 0 CFADRP CS[C@H](C)CC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233181 778424044 /nfs/dbraw/zinc/42/40/44/778424044.db2.gz OONHPYIMUYSQCB-HIFRSBDPSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[NH+]1CC(Nc2cc(N3CCCCC3)cc[nH+]2)C1 ZINC001168313103 778424190 /nfs/dbraw/zinc/42/41/90/778424190.db2.gz IOUSKIVHVCTECX-UHFFFAOYSA-N 2 0 274.412 2.576 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)C(=O)OC(C)(C)C)CC1 ZINC001168312383 778424448 /nfs/dbraw/zinc/42/44/48/778424448.db2.gz UBLMBWDAAREKHO-UHFFFAOYSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCC1(F)F ZINC001168313386 778425069 /nfs/dbraw/zinc/42/50/69/778425069.db2.gz BFVDTFDEIYKXMW-HIFPTAJRSA-N 2 0 260.372 2.836 20 0 CFADRP Nc1ccccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237794 778426426 /nfs/dbraw/zinc/42/64/26/778426426.db2.gz MMSIQWXCMAKNAO-QGZVFWFLSA-N 2 0 273.424 2.623 20 0 CFADRP CCOc1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)c1 ZINC001235238841 778426503 /nfs/dbraw/zinc/42/65/03/778426503.db2.gz ANTPKLIHQKYHKT-NVXWUHKLSA-N 2 0 274.408 2.707 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001168315422 778426686 /nfs/dbraw/zinc/42/66/86/778426686.db2.gz OBWIHXJUIANCAK-UHFFFAOYSA-N 2 0 299.462 2.759 20 0 CFADRP Nc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235239054 778427594 /nfs/dbraw/zinc/42/75/94/778427594.db2.gz SNADDMKUKQTGIG-KRWDZBQOSA-N 2 0 291.414 2.762 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCCOCc1ccccc1)C2 ZINC001235241480 778429575 /nfs/dbraw/zinc/42/95/75/778429575.db2.gz WASHBPUECPBYHD-QZTJIDSGSA-N 2 0 288.435 2.797 20 0 CFADRP CO[C@H]1CCC[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)C[C@@H]21 ZINC001168323050 778431122 /nfs/dbraw/zinc/43/11/22/778431122.db2.gz ONVQPTRGNFZRDK-WXGPCXSOSA-N 2 0 280.456 2.606 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCc3nc(Cl)ccc3C2)CC1 ZINC001168324380 778432105 /nfs/dbraw/zinc/43/21/05/778432105.db2.gz NHBDKCISRIPIDJ-UHFFFAOYSA-N 2 0 293.842 2.966 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235254380 778434632 /nfs/dbraw/zinc/43/46/32/778434632.db2.gz IFOSFFZMXUKZQX-ULQDDVLXSA-N 2 0 258.409 2.774 20 0 CFADRP CC[N@H+](Cc1ccccn1)C1CCC([NH+](C)C)CC1 ZINC001168327341 778434663 /nfs/dbraw/zinc/43/46/63/778434663.db2.gz JYAFNPGLPNNPKS-UHFFFAOYSA-N 2 0 261.413 2.776 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2cccccc1-2 ZINC001235273375 778441211 /nfs/dbraw/zinc/44/12/11/778441211.db2.gz RUPOQUCQDPDKEJ-SJLPKXTDSA-N 2 0 266.388 2.975 20 0 CFADRP CC[N@@H+]1CC[C@H](O[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136038 778449345 /nfs/dbraw/zinc/44/93/45/778449345.db2.gz YLBQLFIYQBXIHO-IRXDYDNUSA-N 2 0 276.424 2.790 20 0 CFADRP CC[N@@H+]1CC[C@@H](O[C@@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136045 778449774 /nfs/dbraw/zinc/44/97/74/778449774.db2.gz YLBQLFIYQBXIHO-SJORKVTESA-N 2 0 276.424 2.790 20 0 CFADRP CC1=C[C@H](C)[C@@H](C[NH+]2CCC(C3C[NH2+]C3)CC2)CC1 ZINC001235336217 778459003 /nfs/dbraw/zinc/45/90/03/778459003.db2.gz UHZYNHNHPGSUQG-GOEBONIOSA-N 2 0 262.441 2.910 20 0 CFADRP C(CC1CCCC1)C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335722 778459157 /nfs/dbraw/zinc/45/91/57/778459157.db2.gz PHEYGHGLNXDXRX-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235339693 778460211 /nfs/dbraw/zinc/46/02/11/778460211.db2.gz YMWGQJXDWKGPMG-KRWDZBQOSA-N 2 0 272.436 2.894 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235341525 778460264 /nfs/dbraw/zinc/46/02/64/778460264.db2.gz PZCKDEYBNLODHK-INIZCTEOSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc(C)c1Cl ZINC001235341594 778460586 /nfs/dbraw/zinc/46/05/86/778460586.db2.gz REMSOFBTYYRLNE-AWEZNQCLSA-N 2 0 278.827 2.998 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349550 778465044 /nfs/dbraw/zinc/46/50/44/778465044.db2.gz QPKKIKDHPFNVHJ-BZZMCLGOSA-N 2 0 270.420 2.722 20 0 CFADRP CC(C)C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235350183 778465077 /nfs/dbraw/zinc/46/50/77/778465077.db2.gz WBBSBTGFODRSDI-IAGOWNOFSA-N 2 0 258.409 2.722 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235365538 778469787 /nfs/dbraw/zinc/46/97/87/778469787.db2.gz AEDYICZHAAXEND-CJWBSQLSSA-N 2 0 292.467 2.966 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235371467 778470781 /nfs/dbraw/zinc/47/07/81/778470781.db2.gz ZXXPOMJSLAZWHH-YLFCFFPRSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000721255496 778475631 /nfs/dbraw/zinc/47/56/31/778475631.db2.gz RSAAIRUUJSZRTQ-BZUAXINKSA-N 2 0 268.445 2.654 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](CCCC1CCCC1)C2 ZINC001235409023 778480225 /nfs/dbraw/zinc/48/02/25/778480225.db2.gz VRKDEYFSLBIBLG-HZPDHXFCSA-N 2 0 268.420 2.980 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CCN2 ZINC001235430178 778487296 /nfs/dbraw/zinc/48/72/96/778487296.db2.gz GNGXNHLFTJVOBR-QZTJIDSGSA-N 2 0 299.462 2.866 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1ccccc1Br ZINC001235435548 778489115 /nfs/dbraw/zinc/48/91/15/778489115.db2.gz OPRWGSMIWFEHJK-UHFFFAOYSA-N 2 0 285.229 2.662 20 0 CFADRP CC(C)[N@H+](C)CC(=O)NCC[PH+](C(C)C)C(C)C ZINC001142590578 778514205 /nfs/dbraw/zinc/51/42/05/778514205.db2.gz GUOCDXHOJURILF-UHFFFAOYSA-N 2 0 274.389 2.742 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000697908426 778522589 /nfs/dbraw/zinc/52/25/89/778522589.db2.gz JFSRWDPDWYOJKM-KBPBESRZSA-N 2 0 264.413 2.556 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235664710 778530524 /nfs/dbraw/zinc/53/05/24/778530524.db2.gz KVDBUVZNKQUQAJ-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP Cc1ccccc1O[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001235673836 778531414 /nfs/dbraw/zinc/53/14/14/778531414.db2.gz IJXBSOBZZOVBID-KRWDZBQOSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235674015 778531589 /nfs/dbraw/zinc/53/15/89/778531589.db2.gz KQZLWLNRNRXQMF-IBGZPJMESA-N 2 0 294.398 2.943 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001235693413 778539330 /nfs/dbraw/zinc/53/93/30/778539330.db2.gz AWKIZWZWRCFGLB-UHFFFAOYSA-N 2 0 294.826 2.974 20 0 CFADRP Cc1ccc(F)c(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235715160 778545823 /nfs/dbraw/zinc/54/58/23/778545823.db2.gz QIVIJOMFYGOKRZ-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP c1cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c2cccccc1-2 ZINC001235714616 778546062 /nfs/dbraw/zinc/54/60/62/778546062.db2.gz ZGCZFEAMLGYEKC-UHFFFAOYSA-N 2 0 266.388 2.977 20 0 CFADRP Cn1ccc2cc(C[N@H+](C)CCC3CC[NH2+]CC3)ccc21 ZINC001235717715 778546787 /nfs/dbraw/zinc/54/67/87/778546787.db2.gz ZUKFGUNQFSRWKA-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235827009 778570097 /nfs/dbraw/zinc/57/00/97/778570097.db2.gz GRQSUWGIRPLLKC-KRWDZBQOSA-N 2 0 288.435 2.722 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C[C@@H]1CC[NH2+]C1 ZINC001235840830 778575834 /nfs/dbraw/zinc/57/58/34/778575834.db2.gz BESYRUWEMRAUFF-OAHLLOKOSA-N 2 0 288.435 2.832 20 0 CFADRP CCCCOc1cccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC001235841936 778577614 /nfs/dbraw/zinc/57/76/14/778577614.db2.gz KKIFHVWEJXMJPJ-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001235883145 778589349 /nfs/dbraw/zinc/58/93/49/778589349.db2.gz XRZHNOUNIMEGKH-ZDUSSCGKSA-N 2 0 297.240 2.977 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884167 778590672 /nfs/dbraw/zinc/59/06/72/778590672.db2.gz XDNYKWQWBJURHP-PQEBFOHHSA-N 2 0 260.425 2.663 20 0 CFADRP Clc1ccc(CCC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929109 778612557 /nfs/dbraw/zinc/61/25/57/778612557.db2.gz IETIKVPUKOCSBE-CABCVRRESA-N 2 0 278.827 2.814 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928696 778612777 /nfs/dbraw/zinc/61/27/77/778612777.db2.gz CHSKMRLSIWDINY-KGLIPLIRSA-N 2 0 298.352 2.789 20 0 CFADRP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001235929411 778613836 /nfs/dbraw/zinc/61/38/36/778613836.db2.gz OIQAQWYJZIXSLU-GDBMZVCRSA-N 2 0 296.414 2.890 20 0 CFADRP CC(C)c1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235936308 778616817 /nfs/dbraw/zinc/61/68/17/778616817.db2.gz GMSWYYPWTZTLSK-IAGOWNOFSA-N 2 0 258.409 2.851 20 0 CFADRP Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1OC(C)C ZINC001235935360 778616870 /nfs/dbraw/zinc/61/68/70/778616870.db2.gz DJSOYTZRLFHDAL-NVXWUHKLSA-N 2 0 288.435 2.824 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC001235935890 778617018 /nfs/dbraw/zinc/61/70/18/778617018.db2.gz FLEWLSILDDYUTM-IRXDYDNUSA-N 2 0 288.435 2.824 20 0 CFADRP COCCC[N@H+](Cc1cc(C)ccc1C)C1CC[NH2+]CC1 ZINC001235938668 778618283 /nfs/dbraw/zinc/61/82/83/778618283.db2.gz YSXOLYZVMQXZRG-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939864 778619521 /nfs/dbraw/zinc/61/95/21/778619521.db2.gz QSIZXQQPXXALPK-CVEARBPZSA-N 2 0 282.387 2.988 20 0 CFADRP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)c1C ZINC001235942940 778620161 /nfs/dbraw/zinc/62/01/61/778620161.db2.gz YTOQHZSVOAXEDJ-CVEARBPZSA-N 2 0 288.435 2.662 20 0 CFADRP CCc1cccc(C)c1C[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235945195 778620739 /nfs/dbraw/zinc/62/07/39/778620739.db2.gz VANOIQVZUXYJJP-UHFFFAOYSA-N 2 0 290.451 2.758 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC001235951336 778624149 /nfs/dbraw/zinc/62/41/49/778624149.db2.gz QJGLLUMOPFDETJ-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)ccc1C ZINC001235957325 778626700 /nfs/dbraw/zinc/62/67/00/778626700.db2.gz MXMFWIHEDJKYRY-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCCC2)C[C@H]1CCC[NH2+]C1 ZINC001235957636 778626869 /nfs/dbraw/zinc/62/68/69/778626869.db2.gz QYBPYSCWYFKHSU-HNNXBMFYSA-N 2 0 272.436 2.997 20 0 CFADRP CC[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1 ZINC001235963139 778631067 /nfs/dbraw/zinc/63/10/67/778631067.db2.gz UWBHKRFALSYVFA-OAHLLOKOSA-N 2 0 282.815 2.540 20 0 CFADRP c1cc2c(c(C[NH+]3CC4(C3)CCC[NH2+]CC4)c1)CCC2 ZINC001236003967 778649877 /nfs/dbraw/zinc/64/98/77/778649877.db2.gz BHSXVTDENPTLBE-UHFFFAOYSA-N 2 0 270.420 2.751 20 0 CFADRP CC1(C)C[N@H+](CC2(F)CC[NH2+]CC2)Cc2ccccc21 ZINC001236085045 778684952 /nfs/dbraw/zinc/68/49/52/778684952.db2.gz JHBUUUOKWIKETO-UHFFFAOYSA-N 2 0 276.399 2.872 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001236085576 778685521 /nfs/dbraw/zinc/68/55/21/778685521.db2.gz SICDSCUWGQPWKS-UHFFFAOYSA-N 2 0 282.378 2.829 20 0 CFADRP [NH3+]CCC[C@@H]1CCCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168372026 778690527 /nfs/dbraw/zinc/69/05/27/778690527.db2.gz RSAOEZKXTIHQSY-INIZCTEOSA-N 3 0 293.499 2.702 20 0 CFADRP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236109811 778698447 /nfs/dbraw/zinc/69/84/47/778698447.db2.gz XBVHIISGYQAHRW-KRWDZBQOSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2cnn(CCC[NH+](C)C)c2)cc1 ZINC001236151814 778719202 /nfs/dbraw/zinc/71/92/02/778719202.db2.gz CDNWLJNIQKUHFU-ZDUSSCGKSA-N 2 0 272.396 2.522 20 0 CFADRP CCC[N@H+](CC1Cc2ccccc2C1)C1CC[NH2+]CC1 ZINC001236180533 778728852 /nfs/dbraw/zinc/72/88/52/778728852.db2.gz LUWNBHCCDUEJRW-UHFFFAOYSA-N 2 0 272.436 2.865 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001236189261 778730948 /nfs/dbraw/zinc/73/09/48/778730948.db2.gz JZKSRCKRFPNCRE-ZDUSSCGKSA-N 2 0 254.324 2.841 20 0 CFADRP [NH3+]CCCCC[N@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236228624 778746103 /nfs/dbraw/zinc/74/61/03/778746103.db2.gz XDMCIEKXFKAYQT-UHFFFAOYSA-N 3 0 289.467 2.888 20 0 CFADRP CC[NH+](CC)C1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168391020 778773418 /nfs/dbraw/zinc/77/34/18/778773418.db2.gz KIMSDTKINLEAHB-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314467 778773832 /nfs/dbraw/zinc/77/38/32/778773832.db2.gz NMYOSWCTIVZTMO-TWMKSMIVSA-N 2 0 262.441 2.910 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314986 778773849 /nfs/dbraw/zinc/77/38/49/778773849.db2.gz UDCPXIIHZIGSGO-IYBDPMFKSA-N 2 0 274.408 2.517 20 0 CFADRP Fc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Cl ZINC001236317507 778776194 /nfs/dbraw/zinc/77/61/94/778776194.db2.gz YKODBWQIJIFPSH-BETUJISGSA-N 2 0 282.790 2.911 20 0 CFADRP CCc1cccc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320628 778777355 /nfs/dbraw/zinc/77/73/55/778777355.db2.gz KAYHWTXDJHVNFT-CALCHBBNSA-N 2 0 272.436 2.989 20 0 CFADRP Cc1cc(F)cc(C)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321958 778778961 /nfs/dbraw/zinc/77/89/61/778778961.db2.gz XROMKUMPNBLVFV-GASCZTMLSA-N 2 0 276.399 2.874 20 0 CFADRP CSc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cn1 ZINC001236322112 778779112 /nfs/dbraw/zinc/77/91/12/778779112.db2.gz PXTMEZVLWUNJMC-OKILXGFUSA-N 2 0 291.464 2.543 20 0 CFADRP Clc1sccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322123 778779355 /nfs/dbraw/zinc/77/93/55/778779355.db2.gz QIXNBFSWBCJCFW-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP CCOc1ccc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321615 778779394 /nfs/dbraw/zinc/77/93/94/778779394.db2.gz NPBKEFBDNQUGRU-IYBDPMFKSA-N 2 0 288.435 2.825 20 0 CFADRP COc1cccc([C@H]2CCC[N@H+](CCCC[NH3+])C2)c1 ZINC001236335806 778784621 /nfs/dbraw/zinc/78/46/21/778784621.db2.gz RNPNCQOVYHRMIR-HNNXBMFYSA-N 2 0 262.397 2.614 20 0 CFADRP c1cc2c(c(-c3ccc([C@H]4CCC[NH2+]4)cn3)c1)CC[NH2+]C2 ZINC001236344971 778787855 /nfs/dbraw/zinc/78/78/55/778787855.db2.gz VUOAASDYVHOVPN-QGZVFWFLSA-N 2 0 279.387 2.819 20 0 CFADRP c1cc2c(c(-c3cc(N4CCCC4)cc[nH+]3)c1)CC[NH2+]C2 ZINC001236345104 778788061 /nfs/dbraw/zinc/78/80/61/778788061.db2.gz XIKTYYCGFJKNJM-UHFFFAOYSA-N 2 0 279.387 2.995 20 0 CFADRP C[N@@H+]1CCc2ccc(-c3cccc4c3CC[NH2+]C4)cc2C1 ZINC001236356687 778790618 /nfs/dbraw/zinc/79/06/18/778790618.db2.gz CKKMBNXKUBJFJI-UHFFFAOYSA-N 2 0 278.399 2.987 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399738 778796764 /nfs/dbraw/zinc/79/67/64/778796764.db2.gz DHMPGMWBKOFXCV-ARFHVFGLSA-N 2 0 262.372 2.543 20 0 CFADRP [NH3+]CCCCCN(Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395487 778802379 /nfs/dbraw/zinc/80/23/79/778802379.db2.gz SUGBYCCCMKDKIY-KRWDZBQOSA-N 2 0 293.430 2.509 20 0 CFADRP COc1ccc(C2=CC[N@H+](CCCC[NH3+])CC2)cc1 ZINC001236412922 778807496 /nfs/dbraw/zinc/80/74/96/778807496.db2.gz YEGQFGRUSIYESX-UHFFFAOYSA-N 2 0 260.381 2.523 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2ncc3c(n2)C[NH2+]CC3)cc1 ZINC001236424912 778819458 /nfs/dbraw/zinc/81/94/58/778819458.db2.gz DPCUWLZLLMROFP-UHFFFAOYSA-N 2 0 296.418 2.535 20 0 CFADRP C(C[N@@H+]1CCOC[C@@H]1C1CCCCC1)C1CC[NH2+]CC1 ZINC001236433260 778826670 /nfs/dbraw/zinc/82/66/70/778826670.db2.gz GFKNAZNEJFVWRT-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)CN(CC[C@@H]1CCCC[NH2+]1)C1CC[NH2+]CC1 ZINC001236458047 778834405 /nfs/dbraw/zinc/83/44/05/778834405.db2.gz PXEQWRLRZHBIOV-HNNXBMFYSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)C[N@H+](CCCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550860 778875638 /nfs/dbraw/zinc/87/56/38/778875638.db2.gz NYRNCWBAMJFFPB-WKILWMFISA-N 3 0 269.477 2.733 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCC[NH2+]2)C2CCC2)CC1 ZINC001236572080 778880257 /nfs/dbraw/zinc/88/02/57/778880257.db2.gz LYZKXRVRPNZXQP-BFYDXBDKSA-N 3 0 279.472 2.643 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)o1 ZINC001236592406 778888604 /nfs/dbraw/zinc/88/86/04/778888604.db2.gz YHFNZFZLKULUKJ-UHFFFAOYSA-N 2 0 291.439 2.845 20 0 CFADRP COc1cc(C)cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236600015 778889900 /nfs/dbraw/zinc/88/99/00/778889900.db2.gz XYWGYJGZYDQONZ-HNNXBMFYSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1cc(Cl)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001236643451 778900941 /nfs/dbraw/zinc/90/09/41/778900941.db2.gz PDOQJPQZDPRXER-UHFFFAOYSA-N 2 0 293.842 2.961 20 0 CFADRP C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cccc3occc31)C2 ZINC001236739033 778926256 /nfs/dbraw/zinc/92/62/56/778926256.db2.gz KOPPRSFEOWZOLC-RHSMWYFYSA-N 2 0 270.376 2.816 20 0 CFADRP CCC(CC)[N@H+](CCCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781967 778933207 /nfs/dbraw/zinc/93/32/07/778933207.db2.gz CVRSGHDWWJQICC-KOMQPUFPSA-N 3 0 269.477 2.876 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccc(F)cc1 ZINC001278012845 778947419 /nfs/dbraw/zinc/94/74/19/778947419.db2.gz ISHHTHCIYCUNRW-MQVJKMGUSA-N 2 0 292.398 2.809 20 0 CFADRP COc1cc(CN2CCC(C[NH+](C)C)CC2)c(F)cc1F ZINC001236825194 778954868 /nfs/dbraw/zinc/95/48/68/778954868.db2.gz XQVXCGKRNJGRLW-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP Cc1cc(F)cc(Cl)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236826970 778955019 /nfs/dbraw/zinc/95/50/19/778955019.db2.gz DMSPNCOUOMMCHK-VZJVUDMVSA-N 2 0 282.790 2.957 20 0 CFADRP Cc1c(F)ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC001236825866 778955449 /nfs/dbraw/zinc/95/54/49/778955449.db2.gz AWLOIAHAOHOOQN-VHRBIJSZSA-N 2 0 282.790 2.957 20 0 CFADRP CCC[N@H+](CCCc1ccc(OC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236827861 778956510 /nfs/dbraw/zinc/95/65/10/778956510.db2.gz HBMJQYAQWHSWMW-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP CCC[N@H+](CCc1c(F)cccc1F)C[C@H]1CC[NH2+]C1 ZINC001236832271 778958012 /nfs/dbraw/zinc/95/80/12/778958012.db2.gz TUPKPWYCIYJAAA-ZDUSSCGKSA-N 2 0 282.378 2.829 20 0 CFADRP CCC[N@@H+](Cc1cc(C)cc(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236833787 778959317 /nfs/dbraw/zinc/95/93/17/778959317.db2.gz CKXWEAUDVPCMKB-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)NCCC2)C[C@H]1CC[NH2+]C1 ZINC001236842245 778961894 /nfs/dbraw/zinc/96/18/94/778961894.db2.gz CUJJMNGDQXXHTJ-INIZCTEOSA-N 2 0 287.451 2.866 20 0 CFADRP COC(C)(C)CCC[C@H](C)CC[N@H+](C)C[C@H](C)[NH3+] ZINC001236885351 778973561 /nfs/dbraw/zinc/97/35/61/778973561.db2.gz FAFVXLWEOXPZNA-KBPBESRZSA-N 2 0 258.450 2.887 20 0 CFADRP CCCC[C@@H](CC)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236911582 778981228 /nfs/dbraw/zinc/98/12/28/778981228.db2.gz FFWYICKDVYMADH-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP c1ccc(CC[C@@H]2CCC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C2)cc1 ZINC001236948445 778984793 /nfs/dbraw/zinc/98/47/93/778984793.db2.gz FCAQBCWXMBYUNS-INDMIFKZSA-N 2 0 284.447 2.797 20 0 CFADRP C[C@H]1C(=O)CCN(CC[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC001237191469 779044927 /nfs/dbraw/zinc/04/49/27/779044927.db2.gz NJJXZFOJCLKAAO-GJZGRUSLSA-N 2 0 278.440 2.742 20 0 CFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc2cccccc1-2 ZINC001237191590 779045635 /nfs/dbraw/zinc/04/56/35/779045635.db2.gz VYNMAPLECBYTKF-UHFFFAOYSA-N 2 0 299.462 2.717 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)C[NH2+]C2)C[C@@H]1Cc2ccccc2O1 ZINC001237266784 779062146 /nfs/dbraw/zinc/06/21/46/779062146.db2.gz ZXCQCCNCANRXFS-SFHVURJKSA-N 2 0 294.398 2.725 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168437834 779070743 /nfs/dbraw/zinc/07/07/43/779070743.db2.gz KICHHTFHAICBKG-SFHVURJKSA-N 2 0 290.426 2.957 20 0 CFADRP CCc1cccc(C)c1C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001237335755 779080770 /nfs/dbraw/zinc/08/07/70/779080770.db2.gz ZITHIFXONJJCAF-CALCHBBNSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)OCc1ccccc1 ZINC001237384731 779088722 /nfs/dbraw/zinc/08/87/22/779088722.db2.gz XTSKWIGMFRYZCC-CGTJXYLNSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237384691 779090041 /nfs/dbraw/zinc/09/00/41/779090041.db2.gz XHMRAHAUYFHOPA-JSGCOSHPSA-N 2 0 250.411 2.630 20 0 CFADRP c1cc2ccncc2c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237401287 779096360 /nfs/dbraw/zinc/09/63/60/779096360.db2.gz CQVIJERCSLADJP-SJLPKXTDSA-N 2 0 281.403 2.809 20 0 CFADRP c1cc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2[nH]1 ZINC001237403526 779097533 /nfs/dbraw/zinc/09/75/33/779097533.db2.gz LAGWXLOHPLZDGV-GDBMZVCRSA-N 2 0 269.392 2.742 20 0 CFADRP COc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)c1 ZINC001237405451 779098531 /nfs/dbraw/zinc/09/85/31/779098531.db2.gz QMNYJRKCCUSBME-NVXWUHKLSA-N 2 0 274.408 2.578 20 0 CFADRP COc1cc(C)cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237406899 779100426 /nfs/dbraw/zinc/10/04/26/779100426.db2.gz WCRQTZZKPXDXJO-NVXWUHKLSA-N 2 0 274.408 2.578 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CCCN2 ZINC001237410791 779101032 /nfs/dbraw/zinc/10/10/32/779101032.db2.gz DEPYRAQIFXJTTF-AEFFLSMTSA-N 2 0 285.435 2.619 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2cccnc12 ZINC001237411257 779101046 /nfs/dbraw/zinc/10/10/46/779101046.db2.gz FBDRQTYAIACHDB-GDBMZVCRSA-N 2 0 297.402 2.514 20 0 CFADRP c1ccc2c(c1)ccnc2CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237413543 779102677 /nfs/dbraw/zinc/10/26/77/779102677.db2.gz IRBOHRVHUSJGOQ-RDJZCZTQSA-N 2 0 281.403 2.809 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000130180660 779113883 /nfs/dbraw/zinc/11/38/83/779113883.db2.gz DEBPSIPCEAOASA-XOKHGSTOSA-N 2 0 286.419 2.899 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168443312 779128374 /nfs/dbraw/zinc/12/83/74/779128374.db2.gz ADTMQJJQFXNDFY-KRWDZBQOSA-N 2 0 278.415 2.957 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168445419 779145944 /nfs/dbraw/zinc/14/59/44/779145944.db2.gz KFLBUEVZKFNVQR-QGZVFWFLSA-N 2 0 288.410 2.711 20 0 CFADRP Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205093844 779163470 /nfs/dbraw/zinc/16/34/70/779163470.db2.gz GKLWKZBZVOWVFU-OCCSQVGLSA-N 2 0 250.386 2.895 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](CC2CCN(c3ccccc3)CC2)CC1 ZINC001205094879 779169676 /nfs/dbraw/zinc/16/96/76/779169676.db2.gz RHHCKFXLZRTZSU-QGZVFWFLSA-N 2 0 287.451 2.716 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@@H](C)Cc1cccc(F)c1 ZINC001168456315 779184165 /nfs/dbraw/zinc/18/41/65/779184165.db2.gz OZCTTXAUJUJOEG-ZDUSSCGKSA-N 2 0 252.377 2.818 20 0 CFADRP C(C[NH+]1CCCCC1)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001278152901 779192399 /nfs/dbraw/zinc/19/23/99/779192399.db2.gz BPFRXVOVDMEFHU-ROUUACIJSA-N 2 0 291.483 2.564 20 0 CFADRP CC(=O)CN(C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237881471 779198858 /nfs/dbraw/zinc/19/88/58/779198858.db2.gz SUNGXNZMTZLXIP-UHFFFAOYSA-N 2 0 272.392 2.709 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C)[C@H]3CC[N@H+](C)C3)cc21 ZINC001237886460 779201002 /nfs/dbraw/zinc/20/10/02/779201002.db2.gz NNLUOVMRPWHLSN-KRWDZBQOSA-N 2 0 299.462 2.824 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000699363083 779248255 /nfs/dbraw/zinc/24/82/55/779248255.db2.gz QOVUFCSCBUWJIB-OAGGEKHMSA-N 2 0 274.408 2.670 20 0 CFADRP C[N@@H+]1CCCC2(CC[NH+](CCCn3cccc3)CC2)C1 ZINC001278190009 779258182 /nfs/dbraw/zinc/25/81/82/779258182.db2.gz ZJVZHPZZGPIYFT-UHFFFAOYSA-N 2 0 275.440 2.686 20 0 CFADRP C[N@@H+](Cc1cccc(-c2cc[nH]n2)c1)CC1CC[NH+](C)CC1 ZINC001238210613 779281674 /nfs/dbraw/zinc/28/16/74/779281674.db2.gz RBMZADWEJRITOT-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP FCCCC[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001278205317 779285530 /nfs/dbraw/zinc/28/55/30/779285530.db2.gz HMZDMDDRBXTPOD-UHFFFAOYSA-N 2 0 279.403 2.662 20 0 CFADRP C[C@H]1C[N@H+](Cc2c(Cl)[nH]c3ccccc32)C[C@H]1C[NH3+] ZINC001205136289 779307573 /nfs/dbraw/zinc/30/75/73/779307573.db2.gz WAYWDQPEHOKGCJ-WDEREUQCSA-N 2 0 277.799 2.848 20 0 CFADRP COc1c(C)cccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235131820 779318522 /nfs/dbraw/zinc/31/85/22/779318522.db2.gz CGWAPXKKVFNDPC-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235271016 779336093 /nfs/dbraw/zinc/33/60/93/779336093.db2.gz OMCQRTZCWHVOPQ-NVXWUHKLSA-N 2 0 258.409 2.741 20 0 CFADRP Cc1ccc(Cl)c(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001238557207 779340178 /nfs/dbraw/zinc/34/01/78/779340178.db2.gz QROMIRSGOMMWLR-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2-n2cccc2)C[C@H]1C[NH3+] ZINC001205145877 779346561 /nfs/dbraw/zinc/34/65/61/779346561.db2.gz LIWNVFILTHNQED-GOEBONIOSA-N 2 0 269.392 2.504 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000715259931 779352332 /nfs/dbraw/zinc/35/23/32/779352332.db2.gz BVJKZPWYFGAZTK-JKSUJKDBSA-N 2 0 281.488 2.712 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001235677129 779367687 /nfs/dbraw/zinc/36/76/87/779367687.db2.gz YRVOAORGKQUYPS-AWEZNQCLSA-N 2 0 258.409 2.736 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC001235841329 779384596 /nfs/dbraw/zinc/38/45/96/779384596.db2.gz DLMKMFKGCLXCHO-ZDUSSCGKSA-N 2 0 266.816 2.998 20 0 CFADRP Cc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235934592 779411299 /nfs/dbraw/zinc/41/12/99/779411299.db2.gz BVBCQFOYLLNMQF-TZMCWYRMSA-N 2 0 264.800 2.690 20 0 CFADRP c1ccc(C2CC[NH2+]CC2)c(C2=CCC[NH2+]CC2)c1 ZINC001238944797 779423373 /nfs/dbraw/zinc/42/33/73/779423373.db2.gz DOFGAAUPLUOPQK-UHFFFAOYSA-N 2 0 256.393 2.920 20 0 CFADRP CCOc1ccc(CN2C[C@H](C)C[C@@H]([NH3+])C2)c(C)c1 ZINC001236044747 779448104 /nfs/dbraw/zinc/44/81/04/779448104.db2.gz AEQPXKSWPYUHTF-IUODEOHRSA-N 2 0 262.397 2.563 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc3c(c2)C[NH2+]CC3)cn1 ZINC001239209603 779473386 /nfs/dbraw/zinc/47/33/86/779473386.db2.gz VLQMZJZHALPWKI-UHFFFAOYSA-N 2 0 298.434 2.538 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccccc2C[NH+](C)C)n1 ZINC001239682245 779708103 /nfs/dbraw/zinc/70/81/03/779708103.db2.gz ZLAJJXZBZPWTQE-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP [NH3+]Cc1cncc(-c2cc(C[NH+]3CCCCC3)ccn2)c1 ZINC001239791232 779775641 /nfs/dbraw/zinc/77/56/41/779775641.db2.gz CFWMSPQFQQDGBT-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP [NH3+]Cc1cncc(-c2cc(N3CCCCC3)cc[nH+]2)c1 ZINC001239791653 779775944 /nfs/dbraw/zinc/77/59/44/779775944.db2.gz JTYBSJROPHTLJY-UHFFFAOYSA-N 2 0 268.364 2.593 20 0 CFADRP C[NH+](C)Cc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)nc1 ZINC001168542897 779919397 /nfs/dbraw/zinc/91/93/97/779919397.db2.gz FVJVVHILQFNUGF-HNNXBMFYSA-N 2 0 296.418 2.727 20 0 CFADRP [NH3+]CCc1ccccc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168548979 779935100 /nfs/dbraw/zinc/93/51/00/779935100.db2.gz QXDSTMMJOXXVCV-HNNXBMFYSA-N 2 0 281.403 2.772 20 0 CFADRP c1cc(C[NH+]2CCCCC2)cc(-c2ncc3c(n2)C[NH2+]C3)c1 ZINC001240161593 779980609 /nfs/dbraw/zinc/98/06/09/779980609.db2.gz JTBASAGEICLOOY-UHFFFAOYSA-N 2 0 294.402 2.733 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc2c1CC[C@@H]2[NH3+] ZINC001168600829 780030492 /nfs/dbraw/zinc/03/04/92/780030492.db2.gz FPXSWOAHIIETOT-XIRDDKMYSA-N 2 0 273.424 2.917 20 0 CFADRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001205247420 780034193 /nfs/dbraw/zinc/03/41/93/780034193.db2.gz HHBBSYZWEWNJLG-GOSISDBHSA-N 2 0 288.435 2.630 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCOC2CCCCC2)CC1 ZINC000715530047 780091036 /nfs/dbraw/zinc/09/10/36/780091036.db2.gz WQXATCFYVKRETF-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2ncc3c(n2)C[NH2+]CC3)cc1 ZINC001240359890 780112917 /nfs/dbraw/zinc/11/29/17/780112917.db2.gz AATRAFYAJRDBIO-UHFFFAOYSA-N 2 0 296.418 2.677 20 0 CFADRP [NH3+]Cc1cccc(C2=CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001240385150 780129171 /nfs/dbraw/zinc/12/91/71/780129171.db2.gz YGQKHRDQLJEGQM-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001116501573 780177705 /nfs/dbraw/zinc/17/77/05/780177705.db2.gz HTSRPDQSLCAWLM-HNNXBMFYSA-N 2 0 264.388 2.642 20 0 CFADRP c1cc(-c2ccc3c(c2)CC[NH2+]C3)ccc1O[C@H]1CC[NH2+]C1 ZINC001240458860 780180762 /nfs/dbraw/zinc/18/07/62/780180762.db2.gz QQZHUVQLZZULGZ-IBGZPJMESA-N 2 0 294.398 2.740 20 0 CFADRP c1cc2c(c(C3=CC[NH2+]CC3)c1)C1(CC2)CC[NH2+]CC1 ZINC001240467597 780183867 /nfs/dbraw/zinc/18/38/67/780183867.db2.gz AQPMSYQPCNJVBK-UHFFFAOYSA-N 2 0 268.404 2.631 20 0 CFADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684174 780321679 /nfs/dbraw/zinc/32/16/79/780321679.db2.gz GOHMVEXYTHSABR-KGLIPLIRSA-N 2 0 278.827 2.881 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422757880 780433286 /nfs/dbraw/zinc/43/32/86/780433286.db2.gz NGANLSJJGPVXTE-VHIPQOMLSA-N 2 0 292.467 2.545 20 0 CFADRP C[NH+]1CCC2(C[NH+]([C@H]3Cc4cccc(Cl)c4C3)C2)CC1 ZINC001168741576 780594892 /nfs/dbraw/zinc/59/48/92/780594892.db2.gz ZRUVANDBOXUXOJ-AWEZNQCLSA-N 2 0 290.838 2.835 20 0 CFADRP Nc1ccccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001241075262 780628034 /nfs/dbraw/zinc/62/80/34/780628034.db2.gz BNDVXOVNNPKNAA-UHFFFAOYSA-N 2 0 281.403 2.859 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000700314534 780676116 /nfs/dbraw/zinc/67/61/16/780676116.db2.gz VFLUBUAXKRNDIA-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP CSC(C)(C)CC[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700787345 780719844 /nfs/dbraw/zinc/71/98/44/780719844.db2.gz LCYCOEGBHTZHAL-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCc2cccs2)CC[C@@H]1C(F)(F)F ZINC000700817034 780726889 /nfs/dbraw/zinc/72/68/89/780726889.db2.gz PCGYVSLXXZMFGL-JQWIXIFHSA-N 2 0 292.370 2.750 20 0 CFADRP C[N@H+]1CC=C(c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001241330159 780784778 /nfs/dbraw/zinc/78/47/78/780784778.db2.gz KMZONJDHNILZPE-QGZVFWFLSA-N 2 0 256.393 2.873 20 0 CFADRP CCc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001241547190 780969523 /nfs/dbraw/zinc/96/95/23/780969523.db2.gz VDAQKKHTPNVPFZ-UHFFFAOYSA-N 2 0 267.376 2.721 20 0 CFADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000703579270 781035155 /nfs/dbraw/zinc/03/51/55/781035155.db2.gz PEHBQGNSQDAYIV-CUQMJCILSA-N 2 0 280.456 2.580 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCSC2)c2ccccc21 ZINC000704800125 781119816 /nfs/dbraw/zinc/11/98/16/781119816.db2.gz VINITJCUPMXLOB-DFBGVHRSSA-N 2 0 262.422 2.864 20 0 CFADRP c1nn(C2CC[NH2+]CC2)cc1-c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001241777893 781125243 /nfs/dbraw/zinc/12/52/43/781125243.db2.gz VERDJOUDUIJPEA-INIZCTEOSA-N 2 0 296.418 2.552 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OCC ZINC000705392446 781139998 /nfs/dbraw/zinc/13/99/98/781139998.db2.gz IHWMSOAHWCHILK-APIJFGDWSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCCO1 ZINC000705968765 781154107 /nfs/dbraw/zinc/15/41/07/781154107.db2.gz CDDNSQOQBLMIIE-ZFWWWQNUSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](c1ccc(-c2ccc(C[NH3+])cc2)cc1)N1CC[NH2+]CC1 ZINC001241916907 781179685 /nfs/dbraw/zinc/17/96/85/781179685.db2.gz DPUKVOQKTUGIRL-OAHLLOKOSA-N 2 0 295.430 2.779 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH2+]C)C12CCCCC2 ZINC001118059456 781199106 /nfs/dbraw/zinc/19/91/06/781199106.db2.gz SDYPDOIQAWSZDT-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2C2=C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001242025639 781239493 /nfs/dbraw/zinc/23/94/93/781239493.db2.gz RCHJONSAQSMAQZ-MSOLQXFVSA-N 3 0 297.446 2.517 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000707341673 781242651 /nfs/dbraw/zinc/24/26/51/781242651.db2.gz VJKJLHCKWGKRRC-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+]Cc1ccnc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001242116296 781288041 /nfs/dbraw/zinc/28/80/41/781288041.db2.gz GUAKAEGHIKPZDB-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3CCC2CC3)C[C@H]1C(F)(F)F ZINC000709861032 781320006 /nfs/dbraw/zinc/32/00/06/781320006.db2.gz LIAJWWXBVPMPMO-YTPFDHIKSA-N 2 0 290.373 2.882 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)CC(F)F)C1CC[NH+](C)CC1 ZINC000710364213 781333289 /nfs/dbraw/zinc/33/32/89/781333289.db2.gz GXRYGEIMYCUCED-LLVKDONJSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)CC(F)F)C1CC[NH+](C)CC1 ZINC000710364217 781333413 /nfs/dbraw/zinc/33/34/13/781333413.db2.gz GXRYGEIMYCUCED-NSHDSACASA-N 2 0 262.388 2.988 20 0 CFADRP CO[C@@H](C[N@H+](C)CCCCCC[NH3+])c1ccccc1 ZINC000710768517 781338033 /nfs/dbraw/zinc/33/80/33/781338033.db2.gz WSDWNBJRANXZQP-INIZCTEOSA-N 2 0 264.413 2.825 20 0 CFADRP COc1ccc(C[N@H+](C)CCCCCC[NH3+])c(F)c1 ZINC000710818907 781340359 /nfs/dbraw/zinc/34/03/59/781340359.db2.gz LDNKAWNXFACHEY-UHFFFAOYSA-N 2 0 268.376 2.785 20 0 CFADRP c1c(C[N@@H+]2CCC3(CCC3)C2)sc2c1C[NH2+]CC2 ZINC000710943512 781349104 /nfs/dbraw/zinc/34/91/04/781349104.db2.gz KKOVDQCIHLYZCR-UHFFFAOYSA-N 2 0 262.422 2.770 20 0 CFADRP FC[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711440283 781433488 /nfs/dbraw/zinc/43/34/88/781433488.db2.gz DGSWYBBTQGCJCU-NUDNTCICSA-N 2 0 254.393 2.589 20 0 CFADRP Cc1ncc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1N ZINC001242412559 781476784 /nfs/dbraw/zinc/47/67/84/781476784.db2.gz GQLCVYNGRPEUMQ-UHFFFAOYSA-N 2 0 296.418 2.562 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711839910 781479096 /nfs/dbraw/zinc/47/90/96/781479096.db2.gz MGSQOIAHXCVNQK-RDJZCZTQSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1nc(-c2ccc3c(c2)C[NH2+]C3)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001242674417 781689698 /nfs/dbraw/zinc/68/96/98/781689698.db2.gz SKNCEFVAAXSYGJ-OAHLLOKOSA-N 2 0 294.402 2.522 20 0 CFADRP c1cc(-c2ccc3c(c2)C[NH2+]CC3)cc2c1C[NH2+]C2 ZINC001242675262 781690603 /nfs/dbraw/zinc/69/06/03/781690603.db2.gz CNZYCHQQOCVKEG-UHFFFAOYSA-N 2 0 250.345 2.603 20 0 CFADRP C[NH+]1CCC(n2cc(-c3ccc4c(c3)[C@H]([NH3+])CC4)cn2)CC1 ZINC001242731100 781726906 /nfs/dbraw/zinc/72/69/06/781726906.db2.gz UMMWUWDGIFTJQP-GOSISDBHSA-N 2 0 296.418 2.763 20 0 CFADRP C[C@@H]([NH3+])c1cccc(-c2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC001242729762 781727329 /nfs/dbraw/zinc/72/73/29/781727329.db2.gz RCYOFTVJTLBLLC-CYBMUJFWSA-N 2 0 284.407 2.837 20 0 CFADRP C[NH+]1CCC(n2cc(-c3ccccc3C3([NH3+])CC3)cn2)CC1 ZINC001242731320 781727398 /nfs/dbraw/zinc/72/73/98/781727398.db2.gz SRXNOYDXISFVCT-UHFFFAOYSA-N 2 0 296.418 2.765 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3nccs3)cc2)CC1 ZINC001242897527 781829782 /nfs/dbraw/zinc/82/97/82/781829782.db2.gz FNDSEBZDCCTMNZ-UHFFFAOYSA-N 2 0 273.405 2.733 20 0 CFADRP C[NH2+]Cc1ccc(-c2cccc(-n3cc[nH+]c3N)c2)cc1 ZINC001242993593 781906679 /nfs/dbraw/zinc/90/66/79/781906679.db2.gz UMXHLVQZSKPAGO-UHFFFAOYSA-N 2 0 278.359 2.841 20 0 CFADRP C[NH2+]Cc1cccc(-c2cccc(CN3CC[C@H]([NH3+])C3)c2)c1 ZINC001242998522 781912675 /nfs/dbraw/zinc/91/26/75/781912675.db2.gz UELGPFFTTBLCQW-IBGZPJMESA-N 2 0 295.430 2.606 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000594520648 349441009 /nfs/dbraw/zinc/44/10/09/349441009.db2.gz KCRYMRXATFWBBY-KKUMJFAQSA-N 2 0 298.471 2.673 20 0 CFADRP CO[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273032760 192026520 /nfs/dbraw/zinc/02/65/20/192026520.db2.gz UTSGVWLCOJQNLL-BFYDXBDKSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000127666299 187324380 /nfs/dbraw/zinc/32/43/80/187324380.db2.gz UCMOHMCMTYFYPF-SJORKVTESA-N 2 0 289.467 2.590 20 0 CFADRP Fc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127691039 187326373 /nfs/dbraw/zinc/32/63/73/187326373.db2.gz ZTJUYNPBGKHAFQ-HUUCEWRRSA-N 2 0 262.372 2.585 20 0 CFADRP COC[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000124731996 187151270 /nfs/dbraw/zinc/15/12/70/187151270.db2.gz MHILBGMEGDHDGU-JYJNAYRXSA-N 2 0 290.451 2.768 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000124807479 187154927 /nfs/dbraw/zinc/15/49/27/187154927.db2.gz OULAVMCUDGRQNQ-UKRRQHHQSA-N 2 0 299.418 2.816 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000594975930 349536474 /nfs/dbraw/zinc/53/64/74/349536474.db2.gz XKRKPUHKIYRLKP-KGLIPLIRSA-N 2 0 268.470 2.736 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000595008113 349546016 /nfs/dbraw/zinc/54/60/16/349546016.db2.gz AADUUYSGOAKYFI-ZNMIVQPWSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@H](CSCCF)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000595030753 349556581 /nfs/dbraw/zinc/55/65/81/349556581.db2.gz AESKKDVMZAHZJK-KGLIPLIRSA-N 2 0 276.465 2.932 20 0 CFADRP C[C@@H](CSCCF)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000595004983 349545103 /nfs/dbraw/zinc/54/51/03/349545103.db2.gz VOKRPQXMIWQSDH-ZDUSSCGKSA-N 2 0 284.444 2.929 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(CSC)CC2)[C@@H](C)C1 ZINC000595064626 349572443 /nfs/dbraw/zinc/57/24/43/349572443.db2.gz DBBIHKWEURWVID-UONOGXRCSA-N 2 0 270.486 2.840 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000595064585 349572536 /nfs/dbraw/zinc/57/25/36/349572536.db2.gz CKKLBOWDCXUQRE-ZNMIVQPWSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125279061 187177452 /nfs/dbraw/zinc/17/74/52/187177452.db2.gz CMXSNGXPORUWOK-JMGFVUJMSA-N 2 0 262.372 2.946 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)ccc1F ZINC000125302398 187179031 /nfs/dbraw/zinc/17/90/31/187179031.db2.gz MOVWDZDMOPRAGN-UHFFFAOYSA-N 2 0 258.768 2.911 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000096950584 185138470 /nfs/dbraw/zinc/13/84/70/185138470.db2.gz IIINITAYMPVZOL-SJORKVTESA-N 2 0 258.409 2.898 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423094730 295675942 /nfs/dbraw/zinc/67/59/42/295675942.db2.gz KQCLNOXWPXYDQL-DZGCQCFKSA-N 2 0 264.438 2.668 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414898733 529430760 /nfs/dbraw/zinc/43/07/60/529430760.db2.gz BXQKACRAUMZUMB-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000070171507 346907384 /nfs/dbraw/zinc/90/73/84/346907384.db2.gz OKDHXHFCZZIJIL-UONOGXRCSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423347563 529540034 /nfs/dbraw/zinc/54/00/34/529540034.db2.gz QPRFFNHISSOPTB-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000070169660 346906062 /nfs/dbraw/zinc/90/60/62/346906062.db2.gz HZEQBHADXMUPIX-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422837604 282194849 /nfs/dbraw/zinc/19/48/49/282194849.db2.gz MKOIVBOQJDGSML-RMHZUWNSSA-N 2 0 273.424 2.594 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@@H]1C[C@@H]1C ZINC000414063012 529585117 /nfs/dbraw/zinc/58/51/17/529585117.db2.gz CHDSNANAUPTEMS-IMJJTQAJSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423116357 529594992 /nfs/dbraw/zinc/59/49/92/529594992.db2.gz PNISLLLUSHUBMZ-VDERGJSUSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939200 346917210 /nfs/dbraw/zinc/91/72/10/346917210.db2.gz QCIVVJWYAQKKPQ-CQSZACIVSA-N 2 0 271.408 2.988 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423251931 529605776 /nfs/dbraw/zinc/60/57/76/529605776.db2.gz SOTKGZHQRNENFY-WFASDCNBSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(C)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422776144 529606434 /nfs/dbraw/zinc/60/64/34/529606434.db2.gz DDQUNAXZZHLCEZ-HOTGVXAUSA-N 2 0 276.424 2.666 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595908153 349766386 /nfs/dbraw/zinc/76/63/86/349766386.db2.gz FUAVPFITCVWUKI-HUUCEWRRSA-N 2 0 284.444 2.559 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422881524 529611367 /nfs/dbraw/zinc/61/13/67/529611367.db2.gz YURJXIGRGRIVPU-RANZSIQMSA-N 2 0 290.451 2.661 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422910493 529621521 /nfs/dbraw/zinc/62/15/21/529621521.db2.gz QSTUDHJRXXMJIS-PVAVHDDUSA-N 2 0 258.409 2.837 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccs1 ZINC000126151102 187221173 /nfs/dbraw/zinc/22/11/73/187221173.db2.gz MWHMOXPLMXROKO-VXGBXAGGSA-N 2 0 252.427 2.743 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CCOC1 ZINC000423291854 529629452 /nfs/dbraw/zinc/62/94/52/529629452.db2.gz KEFLRXKGDULXKE-MAZHCROVSA-N 2 0 262.397 2.611 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422755779 529614250 /nfs/dbraw/zinc/61/42/50/529614250.db2.gz HALJJTLLRBUZNW-YHUYYLMFSA-N 2 0 282.472 2.948 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000422835357 529615363 /nfs/dbraw/zinc/61/53/63/529615363.db2.gz ILXXLMOSZNGWLR-KRWDZBQOSA-N 2 0 292.467 2.870 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423310911 529617920 /nfs/dbraw/zinc/61/79/20/529617920.db2.gz SOXXCZBFTNGBLV-OCCSQVGLSA-N 2 0 250.386 2.639 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1cc(F)ccc1F ZINC000422916225 529668235 /nfs/dbraw/zinc/66/82/35/529668235.db2.gz CXDLSXSJUMRIPL-DOMZBBRYSA-N 2 0 286.366 2.759 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000423043295 282247462 /nfs/dbraw/zinc/24/74/62/282247462.db2.gz OEXKZQUNNYLHGW-YUELXQCFSA-N 2 0 256.434 2.687 20 0 CFADRP CC[C@H](C)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000133645952 136390687 /nfs/dbraw/zinc/39/06/87/136390687.db2.gz PJXNAFBORJJRBP-AWEZNQCLSA-N 2 0 261.413 2.934 20 0 CFADRP CCc1ccc([C@@H]2C[NH2+]CCN2CC[NH2+]C(C)(C)C)cc1 ZINC000414737272 529717099 /nfs/dbraw/zinc/71/70/99/529717099.db2.gz NKZPWHLBVQMGOQ-KRWDZBQOSA-N 2 0 289.467 2.583 20 0 CFADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422727666 529723792 /nfs/dbraw/zinc/72/37/92/529723792.db2.gz CZJJZQMJSBMOHR-KSZLIROESA-N 2 0 289.467 2.569 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH2+]C)s1 ZINC000423266095 529729772 /nfs/dbraw/zinc/72/97/72/529729772.db2.gz CSWYNROCMJVQRV-ZJUUUORDSA-N 2 0 255.431 2.520 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414790365 529753196 /nfs/dbraw/zinc/75/31/96/529753196.db2.gz ZRIDOCDQYYWJNQ-CHWSQXEVSA-N 2 0 279.453 2.527 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422721150 529791777 /nfs/dbraw/zinc/79/17/77/529791777.db2.gz USTUFIMMUKFTQL-HZPDHXFCSA-N 2 0 261.413 2.502 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422719395 529791934 /nfs/dbraw/zinc/79/19/34/529791934.db2.gz RBLBJIZOAWDLGC-KZNAEPCWSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(F)cc1 ZINC000127984994 187345045 /nfs/dbraw/zinc/34/50/45/187345045.db2.gz XIFXYZRHZAONAS-GZBFAFLISA-N 2 0 280.387 2.665 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H]2CCC[C@@H]21 ZINC000414347775 529807090 /nfs/dbraw/zinc/80/70/90/529807090.db2.gz NFFJSBGDGLWLEV-ZQNQSHIBSA-N 2 0 260.381 2.598 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000562734908 290072099 /nfs/dbraw/zinc/07/20/99/290072099.db2.gz MJQMJTOXBILRIX-ILXRZTDVSA-N 2 0 282.472 2.900 20 0 CFADRP CCc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128050368 187348590 /nfs/dbraw/zinc/34/85/90/187348590.db2.gz ASZQJVPAIQONKI-DLBZAZTESA-N 2 0 258.409 2.965 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453087657 534958041 /nfs/dbraw/zinc/95/80/41/534958041.db2.gz IWHIUOYYGTWBNE-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348125133 539387149 /nfs/dbraw/zinc/38/71/49/539387149.db2.gz XBTQTZUGNPOWCK-VNQPRFMTSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423198495 529971554 /nfs/dbraw/zinc/97/15/54/529971554.db2.gz GFUDPNIVZVYZFJ-CVEARBPZSA-N 2 0 296.842 2.629 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000423198692 529971601 /nfs/dbraw/zinc/97/16/01/529971601.db2.gz HHRYERIKHORXIP-MRVPVSSYSA-N 2 0 277.231 2.771 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414858712 529971208 /nfs/dbraw/zinc/97/12/08/529971208.db2.gz KTQPAMWLJDBUOS-GFCCVEGCSA-N 2 0 297.830 2.565 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423199834 529971210 /nfs/dbraw/zinc/97/12/10/529971210.db2.gz KUAGMDJMIMQOAC-NSHDSACASA-N 2 0 274.330 2.836 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC[NH2+]C1 ZINC000414898138 300806690 /nfs/dbraw/zinc/80/66/90/300806690.db2.gz AQZORSGVICCFSD-JYJNAYRXSA-N 2 0 250.430 2.935 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414862138 529971312 /nfs/dbraw/zinc/97/13/12/529971312.db2.gz UXDYLJURGVWCJL-SNVBAGLBSA-N 2 0 260.834 2.922 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348318549 539390936 /nfs/dbraw/zinc/39/09/36/539390936.db2.gz YMYUHUNGLXPDAN-ZNMIVQPWSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414853496 529985401 /nfs/dbraw/zinc/98/54/01/529985401.db2.gz SQLIMSSOGSSPJH-SNVBAGLBSA-N 2 0 274.330 2.959 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423276684 529985776 /nfs/dbraw/zinc/98/57/76/529985776.db2.gz OSRGHOBFPVZAJK-OLZOCXBDSA-N 2 0 260.381 2.809 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423276379 529985932 /nfs/dbraw/zinc/98/59/32/529985932.db2.gz OHSWPXRWHZQKHS-VXGBXAGGSA-N 2 0 270.367 2.731 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423285675 529985982 /nfs/dbraw/zinc/98/59/82/529985982.db2.gz ZTOHDCOENHGANX-VXGBXAGGSA-N 2 0 270.367 2.731 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423280030 529986067 /nfs/dbraw/zinc/98/60/67/529986067.db2.gz UCFUWKPGHABOJQ-IAQYHMDHSA-N 2 0 291.395 2.676 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423282311 529986318 /nfs/dbraw/zinc/98/63/18/529986318.db2.gz WKJCMRPNXYPZLF-NVXWUHKLSA-N 2 0 278.440 2.673 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000423274013 529986425 /nfs/dbraw/zinc/98/64/25/529986425.db2.gz LOOITDNDWIDSCF-RHSMWYFYSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423278478 529999510 /nfs/dbraw/zinc/99/95/10/529999510.db2.gz RAMAAEYPEPFFDW-CWRNSKLLSA-N 2 0 275.440 2.861 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000423277255 529999666 /nfs/dbraw/zinc/99/96/66/529999666.db2.gz PLPQLCXOOLMRSB-WMLDXEAASA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000423268367 529999806 /nfs/dbraw/zinc/99/98/06/529999806.db2.gz GDZKKKLPYDACRM-GOEBONIOSA-N 2 0 278.440 2.707 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)s1 ZINC000127364965 187300144 /nfs/dbraw/zinc/30/01/44/187300144.db2.gz WNPHIPCWUQQHCZ-TZMCWYRMSA-N 2 0 295.496 2.651 20 0 CFADRP CCC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295107168 199348639 /nfs/dbraw/zinc/34/86/39/199348639.db2.gz UWPZNOLNUYPZJN-MSOLQXFVSA-N 2 0 290.451 2.601 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000129988958 539483976 /nfs/dbraw/zinc/48/39/76/539483976.db2.gz QDUANZLATXQSEB-CVEARBPZSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccccc1 ZINC000089722581 539500559 /nfs/dbraw/zinc/50/05/59/539500559.db2.gz LXJGGRRVYZMSQU-CABCVRRESA-N 2 0 276.424 2.774 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000071159153 539504370 /nfs/dbraw/zinc/50/43/70/539504370.db2.gz URQXIWCEZDINKO-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000071159152 539504397 /nfs/dbraw/zinc/50/43/97/539504397.db2.gz URQXIWCEZDINKO-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123994146 539513245 /nfs/dbraw/zinc/51/32/45/539513245.db2.gz FPDKQNQAXJXGGU-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000124008563 539514143 /nfs/dbraw/zinc/51/41/43/539514143.db2.gz GTIYJDZRMAPTHV-GASCZTMLSA-N 2 0 256.393 2.564 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000178650808 232384697 /nfs/dbraw/zinc/38/46/97/232384697.db2.gz KDNOADQSJUSLEA-CABZTGNLSA-N 2 0 253.415 2.505 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295137500 199365157 /nfs/dbraw/zinc/36/51/57/199365157.db2.gz ZIMAKZMQADGZII-OHRKKDJYSA-N 2 0 276.399 2.972 20 0 CFADRP C[C@H](C[NH2+]CCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000127599193 187319428 /nfs/dbraw/zinc/31/94/28/187319428.db2.gz ZAKZFPVQZVVKCF-OAHLLOKOSA-N 2 0 294.414 2.631 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1sccc1Br ZINC000037715570 346333585 /nfs/dbraw/zinc/33/35/85/346333585.db2.gz UFOLQCDZKDAGJU-QMMMGPOBSA-N 2 0 277.231 2.900 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000596653267 349969747 /nfs/dbraw/zinc/96/97/47/349969747.db2.gz UVORYGFSLIIWRP-MGPQQGTHSA-N 2 0 268.470 2.782 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000596648086 349967954 /nfs/dbraw/zinc/96/79/54/349967954.db2.gz IDJMCSRDDIWDOI-CHWSQXEVSA-N 2 0 256.459 2.627 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000089735961 347527737 /nfs/dbraw/zinc/52/77/37/347527737.db2.gz SJJIHCDMTWNUTO-DLBZAZTESA-N 2 0 258.409 2.754 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563735331 290172057 /nfs/dbraw/zinc/17/20/57/290172057.db2.gz ZCSMFMHFIIOWBY-GOEBONIOSA-N 2 0 289.423 2.785 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000091670362 347594768 /nfs/dbraw/zinc/59/47/68/347594768.db2.gz PWRDJEASORIQBN-NVXWUHKLSA-N 2 0 258.409 2.816 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCC1 ZINC000090525672 347551708 /nfs/dbraw/zinc/55/17/08/347551708.db2.gz AUPFOEIBVAINEY-XKQJLSEDSA-N 2 0 280.456 2.533 20 0 CFADRP c1c2ccccc2[nH]c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090576804 347551990 /nfs/dbraw/zinc/55/19/90/347551990.db2.gz YDPJZIZLSXTMHG-DOTOQJQBSA-N 2 0 283.419 2.927 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C1CC1)C1CC1 ZINC000093461748 347675208 /nfs/dbraw/zinc/67/52/08/347675208.db2.gz NKWNNKZCSLHQQK-HYVNUMGLSA-N 2 0 262.441 2.933 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000093516698 347678514 /nfs/dbraw/zinc/67/85/14/347678514.db2.gz ALVRZTXSWGSFKY-ILXRZTDVSA-N 2 0 256.434 2.558 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000094009773 347690232 /nfs/dbraw/zinc/69/02/32/347690232.db2.gz BWNKTADKMCHIHS-JTQLQIEISA-N 2 0 254.324 2.615 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093210236 347665674 /nfs/dbraw/zinc/66/56/74/347665674.db2.gz LJHNLBVAVXVAKE-ROUUACIJSA-N 3 0 289.467 2.888 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000106410223 347731236 /nfs/dbraw/zinc/73/12/36/347731236.db2.gz YIDMEXKMUUCTRG-CQSZACIVSA-N 2 0 250.361 2.566 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(Cl)c2cccnc12 ZINC000123249635 347819364 /nfs/dbraw/zinc/81/93/64/347819364.db2.gz SNBSQCGMPVTAED-UHFFFAOYSA-N 2 0 263.772 2.669 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000124570357 347825167 /nfs/dbraw/zinc/82/51/67/347825167.db2.gz PJXUOFVDMGLUBS-DZGCQCFKSA-N 2 0 262.397 2.785 20 0 CFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000130305731 347869486 /nfs/dbraw/zinc/86/94/86/347869486.db2.gz LGFRCBRNHHOCKN-CZUORRHYSA-N 2 0 289.423 2.594 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000137352167 347913389 /nfs/dbraw/zinc/91/33/89/347913389.db2.gz BHDIOXOKJIBXED-UHFFFAOYSA-N 2 0 276.424 2.729 20 0 CFADRP [NH3+]C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000146960322 347946496 /nfs/dbraw/zinc/94/64/96/347946496.db2.gz KYGLMRKVBIRXBT-UHFFFAOYSA-N 2 0 254.377 2.805 20 0 CFADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC000668584972 539596886 /nfs/dbraw/zinc/59/68/86/539596886.db2.gz YFSLRWNXDGKVRR-CQSZACIVSA-N 2 0 281.350 2.685 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229060914 348198722 /nfs/dbraw/zinc/19/87/22/348198722.db2.gz QLARAQPPXXEEHI-HOCLYGCPSA-N 2 0 276.424 2.892 20 0 CFADRP c1cc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2[nH]1 ZINC000229634498 348202605 /nfs/dbraw/zinc/20/26/05/348202605.db2.gz HMZSJLKMANJTNV-CQSZACIVSA-N 2 0 269.392 2.742 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000237196527 348239381 /nfs/dbraw/zinc/23/93/81/348239381.db2.gz GXMVOLMQSRZXQR-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(C)cc2)CC1 ZINC000236777179 348235356 /nfs/dbraw/zinc/23/53/56/348235356.db2.gz SPVAJYIGOYPCBD-UHFFFAOYSA-N 2 0 276.424 2.838 20 0 CFADRP C[C@H](c1ccc(Br)cc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252463881 348296214 /nfs/dbraw/zinc/29/62/14/348296214.db2.gz LHKDLHIUISMDAK-WXHSDQCUSA-N 2 0 295.224 2.661 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000253179225 348299867 /nfs/dbraw/zinc/29/98/67/348299867.db2.gz COHSXNCWDHOQDM-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2c1 ZINC000564453526 290210032 /nfs/dbraw/zinc/21/00/32/290210032.db2.gz OPUQGTPPSMUSSF-QWRGUYRKSA-N 2 0 262.353 2.657 20 0 CFADRP C[C@@H]1[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000309838167 348408237 /nfs/dbraw/zinc/40/82/37/348408237.db2.gz VBFUCLVDLQLEMY-LAVFITLUSA-N 2 0 287.451 2.509 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000310026644 348408746 /nfs/dbraw/zinc/40/87/46/348408746.db2.gz VLYCFROVAGPGRX-UHFFFAOYSA-N 2 0 276.424 2.654 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)s1 ZINC000310069394 348409112 /nfs/dbraw/zinc/40/91/12/348409112.db2.gz CVCSSVOTTROMQV-QMTHXVAHSA-N 2 0 252.427 2.782 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cnc(C(C)(C)C)nc2)C1 ZINC000314312390 348425186 /nfs/dbraw/zinc/42/51/86/348425186.db2.gz JQSJTOZKMNENGF-AWEZNQCLSA-N 2 0 290.455 2.594 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000314886537 348427729 /nfs/dbraw/zinc/42/77/29/348427729.db2.gz IKVRCHRCGYKJAH-KRWDZBQOSA-N 2 0 298.434 2.692 20 0 CFADRP CCCN1CC[C@@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385856897 348534483 /nfs/dbraw/zinc/53/44/83/348534483.db2.gz RDDWLHLLCAXSIU-YMAMQOFZSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000211894207 539653367 /nfs/dbraw/zinc/65/33/67/539653367.db2.gz GZYKFGNPDGTPQI-HNNXBMFYSA-N 2 0 250.361 2.744 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000584594368 348683037 /nfs/dbraw/zinc/68/30/37/348683037.db2.gz XTWNWLDDDUODJW-OLZOCXBDSA-N 2 0 280.412 2.699 20 0 CFADRP Cc1noc(C)c1[C@@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000092332029 539676118 /nfs/dbraw/zinc/67/61/18/539676118.db2.gz QINBVTZKOHUUEP-BXUZGUMPSA-N 2 0 265.401 2.816 20 0 CFADRP C[C@@H](O)C1([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000668700645 539703064 /nfs/dbraw/zinc/70/30/64/539703064.db2.gz UNKMRSIGWAXYHJ-FMKPAKJESA-N 2 0 280.456 2.533 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397395247 539696311 /nfs/dbraw/zinc/69/63/11/539696311.db2.gz GCMLFBIBGHWHTI-TXCZRRACSA-N 2 0 276.424 2.679 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000590786897 348949042 /nfs/dbraw/zinc/94/90/42/348949042.db2.gz LBHXJUHNRZINCW-UHFFFAOYSA-N 2 0 270.461 2.854 20 0 CFADRP CCCC1CCC([NH2+]CC2(COC)CC[NH2+]CC2)CC1 ZINC000414968293 282632590 /nfs/dbraw/zinc/63/25/90/282632590.db2.gz DVWKKSWUBPFDRN-UHFFFAOYSA-N 2 0 282.472 2.951 20 0 CFADRP c1ccc(CSCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000591278474 349006049 /nfs/dbraw/zinc/00/60/49/349006049.db2.gz FPDVYXTZHSNCLV-OAHLLOKOSA-N 2 0 264.438 2.652 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000414172503 233187023 /nfs/dbraw/zinc/18/70/23/233187023.db2.gz FIZFZMOUAVYHAB-STQMWFEESA-N 2 0 265.376 2.603 20 0 CFADRP CC1([NH3+])CC[NH+](CCSCc2ccccc2)CC1 ZINC000592431635 349118860 /nfs/dbraw/zinc/11/88/60/349118860.db2.gz SHSLFBWXHQVCCI-UHFFFAOYSA-N 2 0 264.438 2.733 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000592471135 349126684 /nfs/dbraw/zinc/12/66/84/349126684.db2.gz ZIGGGQFMWQOUFS-IGQOVBAYSA-N 2 0 270.486 2.742 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000414198310 233194279 /nfs/dbraw/zinc/19/42/79/233194279.db2.gz YIZYMDWHWYBKTK-CYBMUJFWSA-N 2 0 266.348 2.889 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000414200989 233194921 /nfs/dbraw/zinc/19/49/21/233194921.db2.gz XZFGSCYZGZVNRP-KGLIPLIRSA-N 2 0 290.407 2.798 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)C1CCCCC1 ZINC000668730056 539725408 /nfs/dbraw/zinc/72/54/08/539725408.db2.gz GTRQFFYTOVOQMW-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1nc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)sc1C ZINC000127814043 539728567 /nfs/dbraw/zinc/72/85/67/539728567.db2.gz MUTGQKVDYJQNBJ-GFCCVEGCSA-N 2 0 281.469 2.622 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127948066 539731366 /nfs/dbraw/zinc/73/13/66/539731366.db2.gz XYFCGCPVLLHNQW-BZUAXINKSA-N 2 0 256.393 2.543 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC000104344067 185976635 /nfs/dbraw/zinc/97/66/35/185976635.db2.gz PDXAPQKIEWPCQH-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC[NH+](C)CC1 ZINC000597131615 350035503 /nfs/dbraw/zinc/03/55/03/350035503.db2.gz CBKFODHFSNSQRB-RDBSUJKOSA-N 2 0 268.470 2.592 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1 ZINC000668742967 539749619 /nfs/dbraw/zinc/74/96/19/539749619.db2.gz DNTUAZNCCMQPQD-RCCFBDPRSA-N 2 0 288.410 2.928 20 0 CFADRP c1cc2cc(C[NH2+]CCC[NH+]3CCCC3)ccc2cn1 ZINC000232457047 539750426 /nfs/dbraw/zinc/75/04/26/539750426.db2.gz CGTKQWHEQWPKCA-UHFFFAOYSA-N 2 0 269.392 2.810 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090578243 180008816 /nfs/dbraw/zinc/00/88/16/180008816.db2.gz IJUKMYJBHMOMSO-RLFYNMQTSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000090721747 180031130 /nfs/dbraw/zinc/03/11/30/180031130.db2.gz BMNKZAMQZRDCKB-AAEUAGOBSA-N 2 0 284.350 2.860 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090724027 180033022 /nfs/dbraw/zinc/03/30/22/180033022.db2.gz SLEAHCYPHZDXFV-GRDNDAEWSA-N 2 0 276.424 2.822 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@H](C)C1 ZINC000090723740 180033052 /nfs/dbraw/zinc/03/30/52/180033052.db2.gz SGVGOUTZZWNXJP-PBHICJAKSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000090720354 180030192 /nfs/dbraw/zinc/03/01/92/180030192.db2.gz YQTAEJMJQQROSO-BXUZGUMPSA-N 2 0 252.789 2.912 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000091333426 180136348 /nfs/dbraw/zinc/13/63/48/180136348.db2.gz ILXGJEFKIFZUHT-AEFFLSMTSA-N 2 0 289.467 2.609 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414674659 233322505 /nfs/dbraw/zinc/32/25/05/233322505.db2.gz DYRXLMWFMNKLPZ-HZPDHXFCSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000414686392 233325554 /nfs/dbraw/zinc/32/55/54/233325554.db2.gz AIJJZOBYLPXLKD-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414704371 233333290 /nfs/dbraw/zinc/33/32/90/233333290.db2.gz NBTYNXIWYGXMPI-HRCADAONSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccccc3OC[C@@H]2C)CC[NH2+]1 ZINC000414752824 233342651 /nfs/dbraw/zinc/34/26/51/233342651.db2.gz CUGADQVEBHIKKH-ILXRZTDVSA-N 2 0 274.408 2.658 20 0 CFADRP Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414753119 233342772 /nfs/dbraw/zinc/34/27/72/233342772.db2.gz LSKFBBQXMVNILU-KGLIPLIRSA-N 2 0 264.388 2.954 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414797388 233354882 /nfs/dbraw/zinc/35/48/82/233354882.db2.gz IOYSXLDUDOHHMA-LUKYLMHMSA-N 2 0 258.409 2.897 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000414795295 233355053 /nfs/dbraw/zinc/35/50/53/233355053.db2.gz GMODAKMXDJHDMA-FZMZJTMJSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000414799466 233356317 /nfs/dbraw/zinc/35/63/17/233356317.db2.gz JXQKMGUOLWLLKH-GDBMZVCRSA-N 2 0 262.397 2.563 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000081570242 539775452 /nfs/dbraw/zinc/77/54/52/539775452.db2.gz NDOWAFKWDUWKLW-QGZVFWFLSA-N 2 0 289.467 2.916 20 0 CFADRP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)ccc1F ZINC000414761572 233344803 /nfs/dbraw/zinc/34/48/03/233344803.db2.gz UDGQIZCNRJRRCR-ZFWWWQNUSA-N 2 0 264.388 2.954 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081626432 539776951 /nfs/dbraw/zinc/77/69/51/539776951.db2.gz NYLZZAWLCHIOHR-IAGOWNOFSA-N 2 0 293.499 2.571 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414779918 233349751 /nfs/dbraw/zinc/34/97/51/233349751.db2.gz KXKLXVBRLLSHHE-KBPBESRZSA-N 2 0 291.464 2.842 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1CCC2 ZINC000414782302 233349854 /nfs/dbraw/zinc/34/98/54/233349854.db2.gz OJNGGKVPXCJXCQ-OALUTQOASA-N 2 0 284.447 2.997 20 0 CFADRP Fc1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414782259 233349934 /nfs/dbraw/zinc/34/99/34/233349934.db2.gz OENBSEYILWWOAM-KBPBESRZSA-N 2 0 280.362 2.786 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788204 233352677 /nfs/dbraw/zinc/35/26/77/233352677.db2.gz WKVHHDLVBMIFRK-STQMWFEESA-N 2 0 280.362 2.786 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414845061 233376373 /nfs/dbraw/zinc/37/63/73/233376373.db2.gz LMHAVEDJRWTQDT-ULQDDVLXSA-N 2 0 258.409 2.739 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414806997 233359798 /nfs/dbraw/zinc/35/97/98/233359798.db2.gz ZYYVEFGYPGCRPJ-AAEUAGOBSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414811792 233362030 /nfs/dbraw/zinc/36/20/30/233362030.db2.gz WOAZJZBTNGGPOJ-PSASIEDQSA-N 2 0 278.343 2.984 20 0 CFADRP Cn1cc(-c2cccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])c2)cn1 ZINC000414815049 233363062 /nfs/dbraw/zinc/36/30/62/233363062.db2.gz ZVKJEQGCZLBUHO-AEFFLSMTSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414822258 233366234 /nfs/dbraw/zinc/36/62/34/233366234.db2.gz DLEZDJKDPQIJRX-TZMCWYRMSA-N 2 0 298.377 2.951 20 0 CFADRP c1ccc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414824469 233366698 /nfs/dbraw/zinc/36/66/98/233366698.db2.gz FYHWCYFORDSFLA-XYPWUTKMSA-N 2 0 276.449 2.792 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH3+])c(Cl)c1 ZINC000414824769 233366904 /nfs/dbraw/zinc/36/69/04/233366904.db2.gz RHNWXAYMQQXILQ-RYUDHWBXSA-N 2 0 297.830 2.692 20 0 CFADRP c1ccc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000414827848 233369329 /nfs/dbraw/zinc/36/93/29/233369329.db2.gz KTJPIGRQJRJOSQ-TUVJXNFZSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414829067 233369650 /nfs/dbraw/zinc/36/96/50/233369650.db2.gz AJCOWORFCHWEFC-KGLIPLIRSA-N 2 0 264.388 2.736 20 0 CFADRP c1ccc(-c2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2)nc1 ZINC000414830557 233370731 /nfs/dbraw/zinc/37/07/31/233370731.db2.gz OTSFBAPOMVKIJA-INIZCTEOSA-N 2 0 281.403 2.838 20 0 CFADRP c1nc(C2CCCC2)sc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414841051 233373597 /nfs/dbraw/zinc/37/35/97/233373597.db2.gz XQMSMFUUBSESOU-LBPRGKRZSA-N 2 0 279.453 2.890 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414839795 233373660 /nfs/dbraw/zinc/37/36/60/233373660.db2.gz WLDSYPHVLNLSPJ-WBVHZDCISA-N 2 0 260.425 2.905 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000105480404 186059306 /nfs/dbraw/zinc/05/93/06/186059306.db2.gz SEYWHJVUZKEEKD-XJKSGUPXSA-N 2 0 262.397 2.515 20 0 CFADRP c1ccc(CSCC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414843479 233374721 /nfs/dbraw/zinc/37/47/21/233374721.db2.gz CBJVPJVIBBLDHZ-OAHLLOKOSA-N 2 0 264.438 2.509 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414843849 233375158 /nfs/dbraw/zinc/37/51/58/233375158.db2.gz CZLJSYPCHHAVDL-LBPRGKRZSA-N 2 0 284.350 2.767 20 0 CFADRP Clc1ccsc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843073 233375266 /nfs/dbraw/zinc/37/52/66/233375266.db2.gz PPAJBQWBSNYXJH-JTQLQIEISA-N 2 0 258.818 2.881 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000414879558 233388173 /nfs/dbraw/zinc/38/81/73/233388173.db2.gz PVUTXGPTZJZNOV-GFCCVEGCSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414882275 233388251 /nfs/dbraw/zinc/38/82/51/233388251.db2.gz TURBVWAKHUFLLN-UGFHNGPFSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000414897993 233392807 /nfs/dbraw/zinc/39/28/07/233392807.db2.gz AORFWHAUICWBAW-DOTOQJQBSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@@]1(C[NH2+]C/C=C/c2ccc(F)cc2)CCC[NH2+]C1 ZINC000414909270 233396442 /nfs/dbraw/zinc/39/64/42/233396442.db2.gz RKGOIPXLRZAHKD-ICTCPBKTSA-N 2 0 262.372 2.818 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[NH3+])cc1Cl ZINC000414914125 233397515 /nfs/dbraw/zinc/39/75/15/233397515.db2.gz WYQNFHIVGWTXBY-LBPRGKRZSA-N 2 0 297.830 2.694 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414911468 233397533 /nfs/dbraw/zinc/39/75/33/233397533.db2.gz UBVWHMPVHLVFBL-OAHLLOKOSA-N 2 0 260.425 2.905 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414915644 233397870 /nfs/dbraw/zinc/39/78/70/233397870.db2.gz OJLKKAFUEMUUTM-FGTMMUONSA-N 2 0 272.436 2.987 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414854897 233379089 /nfs/dbraw/zinc/37/90/89/233379089.db2.gz VJCBRJCJLLAQMZ-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946047 233410311 /nfs/dbraw/zinc/41/03/11/233410311.db2.gz JGNWNRQRYSUQKE-XOKHGSTOSA-N 2 0 294.414 2.503 20 0 CFADRP c1ccc(OCCCC[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415005314 233433438 /nfs/dbraw/zinc/43/34/38/233433438.db2.gz JCWJXFFXOUUJDB-ZWKOTPCHSA-N 2 0 288.435 2.823 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015406 233437641 /nfs/dbraw/zinc/43/76/41/233437641.db2.gz YQRAFWGDQBKGMN-JCGIZDLHSA-N 2 0 272.436 2.904 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000415055366 233448498 /nfs/dbraw/zinc/44/84/98/233448498.db2.gz OOYTXYFYNXUDNZ-CVEARBPZSA-N 2 0 262.397 2.625 20 0 CFADRP C[NH+]1CCC(NCc2ccc(Cl)cc2F)CC1 ZINC000083418087 260349788 /nfs/dbraw/zinc/34/97/88/260349788.db2.gz YINJUAACPUFFMG-UHFFFAOYSA-N 2 0 256.752 2.663 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337406545 282693304 /nfs/dbraw/zinc/69/33/04/282693304.db2.gz UKHNFLATRZTWSZ-ARFHVFGLSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H](C)CCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000599294197 350408274 /nfs/dbraw/zinc/40/82/74/350408274.db2.gz CNXLALNPSRIIQT-ZWKOTPCHSA-N 2 0 295.515 2.915 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868781 186143848 /nfs/dbraw/zinc/14/38/48/186143848.db2.gz PDSNEMZUVHSVSH-JKSUJKDBSA-N 2 0 274.408 2.802 20 0 CFADRP CCOC(=O)[C@H](C)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660906 350475051 /nfs/dbraw/zinc/47/50/51/350475051.db2.gz PWBWHWQSQDKQFG-AWEZNQCLSA-N 2 0 292.423 2.522 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000109069725 186242188 /nfs/dbraw/zinc/24/21/88/186242188.db2.gz ABOBNAIDXXTLJI-WFASDCNBSA-N 2 0 250.361 2.564 20 0 CFADRP C[NH+]1CCC(NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000020096440 282711005 /nfs/dbraw/zinc/71/10/05/282711005.db2.gz XQLQRNNTJSONDW-SFHVURJKSA-N 2 0 287.451 2.507 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(CSC)CC1 ZINC000600709302 350598996 /nfs/dbraw/zinc/59/89/96/350598996.db2.gz ITWHPNMTPQJZSJ-CLRIEMFWSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000110644469 186308915 /nfs/dbraw/zinc/30/89/15/186308915.db2.gz LTLFKAGKOCAZAG-NSHDSACASA-N 2 0 284.350 2.847 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309647086 539804518 /nfs/dbraw/zinc/80/45/18/539804518.db2.gz DAKYLDWOPIPEAK-SJLPKXTDSA-N 2 0 290.451 2.771 20 0 CFADRP Cc1ccc(C)c(OCC[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000110650491 186311455 /nfs/dbraw/zinc/31/14/55/186311455.db2.gz STHBQMIKPSUTSO-HNNXBMFYSA-N 2 0 276.424 2.741 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309647084 539804940 /nfs/dbraw/zinc/80/49/40/539804940.db2.gz DAKYLDWOPIPEAK-AEFFLSMTSA-N 2 0 290.451 2.771 20 0 CFADRP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000602750678 351013510 /nfs/dbraw/zinc/01/35/10/351013510.db2.gz AFGGQCQMYZTFOH-NRXISQOPSA-N 2 0 296.455 2.571 20 0 CFADRP CCc1cc(NC[C@@H](c2ccco2)[NH+](CC)CC)ncn1 ZINC000603388443 351153638 /nfs/dbraw/zinc/15/36/38/351153638.db2.gz FUZJHGLEYUACGF-AWEZNQCLSA-N 2 0 288.395 2.549 20 0 CFADRP COCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000668811776 539820166 /nfs/dbraw/zinc/82/01/66/539820166.db2.gz ZFOWHVHRXUDZKH-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000122875009 187057255 /nfs/dbraw/zinc/05/72/55/187057255.db2.gz JJCXDGIPQGJBPR-CQSZACIVSA-N 2 0 288.435 2.787 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000123911428 187114758 /nfs/dbraw/zinc/11/47/58/187114758.db2.gz RNAXLYCTNHGMII-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000134114240 539826475 /nfs/dbraw/zinc/82/64/75/539826475.db2.gz RHJVOZOXFMWVBJ-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCF ZINC000271475940 191159917 /nfs/dbraw/zinc/15/99/17/191159917.db2.gz HXTUWEBAAVWIHS-HOCLYGCPSA-N 2 0 264.388 2.846 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000271583462 191225830 /nfs/dbraw/zinc/22/58/30/191225830.db2.gz RTZZAAWYUGTERV-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292159613 198186895 /nfs/dbraw/zinc/18/68/95/198186895.db2.gz OKQZKGJTXBQDET-SFHVURJKSA-N 2 0 288.435 2.655 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000619770929 353065347 /nfs/dbraw/zinc/06/53/47/353065347.db2.gz AEVVOGGKCSVQTD-MRXNPFEDSA-N 2 0 284.407 2.569 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000153732817 188099581 /nfs/dbraw/zinc/09/95/81/188099581.db2.gz GTZLXBRMIGRQSB-ZDUSSCGKSA-N 2 0 284.469 2.984 20 0 CFADRP CC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000154487539 188144767 /nfs/dbraw/zinc/14/47/67/188144767.db2.gz MBQAUUKLFUKQEM-RYQLBKOJSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1cccc(CCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000155193801 188189471 /nfs/dbraw/zinc/18/94/71/188189471.db2.gz MWEJGHGQKIBGIN-KRWDZBQOSA-N 2 0 260.425 2.811 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000156061201 188241082 /nfs/dbraw/zinc/24/10/82/188241082.db2.gz HNMQARULZNMXMS-ZIAGYGMSSA-N 2 0 250.411 2.507 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)N(C)c2ccccc2)[C@H](C)C1 ZINC000156139637 188244862 /nfs/dbraw/zinc/24/48/62/188244862.db2.gz VRZHAIICWAHWMU-JFIYKMOQSA-N 2 0 289.467 2.831 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000156202172 188248546 /nfs/dbraw/zinc/24/85/46/188248546.db2.gz ROSYTVJZQWVKPQ-SOLBZPMBSA-N 2 0 290.451 2.912 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000156267580 188252448 /nfs/dbraw/zinc/25/24/48/188252448.db2.gz PPABSLUSUXIQIX-ZMSDIMECSA-N 2 0 276.424 2.692 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3cncc(Cl)c3)CC[C@H]21 ZINC000621263300 353311084 /nfs/dbraw/zinc/31/10/84/353311084.db2.gz LSFQRXKNPBJDJR-DZGCQCFKSA-N 2 0 279.815 2.651 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000156868559 188285086 /nfs/dbraw/zinc/28/50/86/188285086.db2.gz IRYRGIVAACZFOO-GOSISDBHSA-N 2 0 290.451 2.707 20 0 CFADRP c1cc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000157139610 188299056 /nfs/dbraw/zinc/29/90/56/188299056.db2.gz WYCJZCBQXJTGPC-QGZVFWFLSA-N 2 0 273.424 2.574 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000621377479 353345090 /nfs/dbraw/zinc/34/50/90/353345090.db2.gz ZEBHQQBCWQWIMA-CYBMUJFWSA-N 2 0 292.333 2.711 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC000621772120 353421635 /nfs/dbraw/zinc/42/16/35/353421635.db2.gz YUEWCHOFQSRVEU-MYBQVCMBSA-N 2 0 282.472 2.759 20 0 CFADRP Clc1cncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000621774916 353422595 /nfs/dbraw/zinc/42/25/95/353422595.db2.gz ADISVKIZCFJZQR-CQSZACIVSA-N 2 0 279.815 2.557 20 0 CFADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000621780001 353423506 /nfs/dbraw/zinc/42/35/06/353423506.db2.gz MFVIMUYYJMNDDG-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000621781633 353424350 /nfs/dbraw/zinc/42/43/50/353424350.db2.gz HBMXNFZSFLNEPK-MAZHCROVSA-N 2 0 260.356 2.626 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000621784709 353426094 /nfs/dbraw/zinc/42/60/94/353426094.db2.gz UCIJHPRNKOZXPY-AVGNSLFASA-N 2 0 258.356 2.625 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000622003545 353463900 /nfs/dbraw/zinc/46/39/00/353463900.db2.gz BDAUKRLANXJENZ-VVLHAWIVSA-N 2 0 256.393 2.603 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CC1(F)F ZINC000622043879 353468385 /nfs/dbraw/zinc/46/83/85/353468385.db2.gz OOLJZHNZUMZESD-FPMFFAJLSA-N 2 0 268.351 2.580 20 0 CFADRP c1[nH]nc2c1CN(C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000623239646 353600089 /nfs/dbraw/zinc/60/00/89/353600089.db2.gz OOIHPRDPODOZJP-UHFFFAOYSA-N 2 0 288.439 2.565 20 0 CFADRP CC(C)[N@H+](C)CCCNCc1ccc(F)c(F)c1N(C)C ZINC000623351332 353622102 /nfs/dbraw/zinc/62/21/02/353622102.db2.gz MARHJOCEQXRNOQ-UHFFFAOYSA-N 2 0 299.409 2.851 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357960 353623534 /nfs/dbraw/zinc/62/35/34/353623534.db2.gz JFJBGYXDZZWHBY-IAGOWNOFSA-N 3 0 295.515 2.961 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)C2CCCCC2)CC1(C)C ZINC000623477482 353652687 /nfs/dbraw/zinc/65/26/87/353652687.db2.gz JGRCVUHTZPRQIG-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC1(C)C ZINC000623358303 353624152 /nfs/dbraw/zinc/62/41/52/353624152.db2.gz YYOAITWYOFKCTD-INIZCTEOSA-N 2 0 298.434 2.835 20 0 CFADRP COc1ccc(C[NH2+]CCCC[NH+](C)C)cc1OC1CC1 ZINC000623383112 353631674 /nfs/dbraw/zinc/63/16/74/353631674.db2.gz DAVBQIVGGFASMD-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC2CCCC2)CC1(C)C ZINC000623386201 353632080 /nfs/dbraw/zinc/63/20/80/353632080.db2.gz NJMLSSBMZDSDHY-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)CC1(C)C ZINC000623405561 353635711 /nfs/dbraw/zinc/63/57/11/353635711.db2.gz NYEGTPDCZKLPHZ-IUODEOHRSA-N 2 0 274.408 2.842 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)CC1(C)C ZINC000623405562 353635954 /nfs/dbraw/zinc/63/59/54/353635954.db2.gz NYEGTPDCZKLPHZ-SWLSCSKDSA-N 2 0 274.408 2.842 20 0 CFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623409546 353636465 /nfs/dbraw/zinc/63/64/65/353636465.db2.gz GPWFELBWKFGOII-OAGGEKHMSA-N 2 0 281.488 2.712 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1Cl ZINC000623410864 353637532 /nfs/dbraw/zinc/63/75/32/353637532.db2.gz IYQWUFDIZKJCRK-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCCO)c2ccccc2)CC1(C)C ZINC000623428178 353641816 /nfs/dbraw/zinc/64/18/16/353641816.db2.gz AWPMUEAQEMRSKX-IAGOWNOFSA-N 2 0 290.451 2.963 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438425 353644561 /nfs/dbraw/zinc/64/45/61/353644561.db2.gz ZTNVRXOXEFWMOA-SJORKVTESA-N 2 0 290.451 2.707 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440797 353645725 /nfs/dbraw/zinc/64/57/25/353645725.db2.gz LHWIUWQPWREAIW-XHSDSOJGSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ncccc2Cl)CC1(C)C ZINC000623447806 353647455 /nfs/dbraw/zinc/64/74/55/353647455.db2.gz CIVKKSQOQRIJFR-GFCCVEGCSA-N 2 0 297.830 2.576 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623470225 353651312 /nfs/dbraw/zinc/65/13/12/353651312.db2.gz FNDYITZUMUCXDT-SMDDNHRTSA-N 2 0 279.428 2.857 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000623335370 353616671 /nfs/dbraw/zinc/61/66/71/353616671.db2.gz KJXATAADTMZCBT-CQSZACIVSA-N 2 0 263.429 2.990 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338422 353617610 /nfs/dbraw/zinc/61/76/10/353617610.db2.gz ZUPMLOXRYJDDGD-KGLIPLIRSA-N 2 0 295.496 2.813 20 0 CFADRP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623338505 353617788 /nfs/dbraw/zinc/61/77/88/353617788.db2.gz CKIJWGLPAQEZMR-SJORKVTESA-N 2 0 289.467 2.752 20 0 CFADRP CC1(C)CC([NH2+]Cc2cccc3n[nH]cc32)CC(C)(C)[NH2+]1 ZINC000623341334 353618732 /nfs/dbraw/zinc/61/87/32/353618732.db2.gz XTLDJGLALZIKKC-UHFFFAOYSA-N 2 0 286.423 2.962 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623342835 353619119 /nfs/dbraw/zinc/61/91/19/353619119.db2.gz QQUXPNJXERNKSZ-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623521585 353662428 /nfs/dbraw/zinc/66/24/28/353662428.db2.gz YTDNZTXKZGJZDQ-MRXNPFEDSA-N 2 0 275.440 2.785 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623527392 353663920 /nfs/dbraw/zinc/66/39/20/353663920.db2.gz RJXOZJJYNLNMDE-GJZGRUSLSA-N 2 0 269.477 2.569 20 0 CFADRP CCCc1nc(C)c(CN[C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623531332 353664959 /nfs/dbraw/zinc/66/49/59/353664959.db2.gz UNDIGEFBSNWNDM-ZDUSSCGKSA-N 2 0 279.428 2.898 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623561154 353672059 /nfs/dbraw/zinc/67/20/59/353672059.db2.gz CYLQEBBBKJZREZ-KBPBESRZSA-N 2 0 270.461 2.900 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)CC1(C)C ZINC000623570328 353674130 /nfs/dbraw/zinc/67/41/30/353674130.db2.gz OZCMOEJWBQZBGJ-DGCLKSJQSA-N 2 0 260.372 2.884 20 0 CFADRP COc1cccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1C ZINC000623575285 353676798 /nfs/dbraw/zinc/67/67/98/353676798.db2.gz TXEFQRDPLFZOHK-OAHLLOKOSA-N 2 0 276.424 2.966 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000623648954 353695153 /nfs/dbraw/zinc/69/51/53/353695153.db2.gz FKFGMWWOQUALOE-CVEARBPZSA-N 2 0 287.451 2.884 20 0 CFADRP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623655112 353695733 /nfs/dbraw/zinc/69/57/33/353695733.db2.gz OOYKLLHRPCQXQJ-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492034 353655959 /nfs/dbraw/zinc/65/59/59/353655959.db2.gz JFIVLPBKUSQXMO-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623492035 353655968 /nfs/dbraw/zinc/65/59/68/353655968.db2.gz JFIVLPBKUSQXMO-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657670 353698665 /nfs/dbraw/zinc/69/86/65/353698665.db2.gz WJUWHSPFDHTLQH-JYJNAYRXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000623834397 353735322 /nfs/dbraw/zinc/73/53/22/353735322.db2.gz XESKFJFWZXGIOQ-IAQYHMDHSA-N 2 0 291.826 2.904 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623808918 353729317 /nfs/dbraw/zinc/72/93/17/353729317.db2.gz KCWFLKUOTJDYIE-KOMQPUFPSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000623824009 353732814 /nfs/dbraw/zinc/73/28/14/353732814.db2.gz TYDNUUHHTSPTCY-KDYLLFBJSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000623895695 353752365 /nfs/dbraw/zinc/75/23/65/353752365.db2.gz YXWIFFOBJJZHTF-SUMWQHHRSA-N 2 0 294.414 2.935 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCCO1 ZINC000623895692 353752419 /nfs/dbraw/zinc/75/24/19/353752419.db2.gz YXWIFFOBJJZHTF-CXAGYDPISA-N 2 0 294.414 2.935 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCCO1 ZINC000624017003 353786223 /nfs/dbraw/zinc/78/62/23/353786223.db2.gz MKLKOIBREUHFCQ-BHYGNILZSA-N 2 0 280.456 2.656 20 0 CFADRP COCCc1ccnc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623982071 353774617 /nfs/dbraw/zinc/77/46/17/353774617.db2.gz BSXWEZRTHUBEDQ-AWEZNQCLSA-N 2 0 277.412 2.555 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000623879034 353746915 /nfs/dbraw/zinc/74/69/15/353746915.db2.gz VYQLURMYTTUKGA-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@H](C)C1 ZINC000624113050 353809040 /nfs/dbraw/zinc/80/90/40/353809040.db2.gz UXBPFRGTSIIREY-HZPDHXFCSA-N 2 0 289.467 2.988 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120309 353810564 /nfs/dbraw/zinc/81/05/64/353810564.db2.gz WALUHGUBGAUCIF-JKSUJKDBSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120716 353810913 /nfs/dbraw/zinc/81/09/13/353810913.db2.gz FPONSTPLBPCQJC-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]2CCC[C@H]21 ZINC000624200396 353833115 /nfs/dbraw/zinc/83/31/15/353833115.db2.gz KFHWEJHLDKBYCY-PHPOFCCKSA-N 2 0 262.441 2.885 20 0 CFADRP CC(C)c1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624227688 353841919 /nfs/dbraw/zinc/84/19/19/353841919.db2.gz XSGQEVHRUFCTQV-WMLDXEAASA-N 2 0 276.424 2.527 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(O)ccc1Cl)C2 ZINC000625450606 354049977 /nfs/dbraw/zinc/04/99/77/354049977.db2.gz QXEDGORLGURATH-INIZCTEOSA-N 2 0 294.826 2.963 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000625984802 354160678 /nfs/dbraw/zinc/16/06/78/354160678.db2.gz OJNWVTYCZMYEFI-IAGOWNOFSA-N 2 0 278.440 2.594 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423253830 283002623 /nfs/dbraw/zinc/00/26/23/283002623.db2.gz WLVSJEPLLMQRDA-LRDDRELGSA-N 2 0 262.372 2.792 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)[C@@H](C)C1 ZINC000628183341 354463755 /nfs/dbraw/zinc/46/37/55/354463755.db2.gz YAOMGYNOXNYGQY-SUMWQHHRSA-N 2 0 286.423 2.725 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@@]1(C)CCCS1)C1CC1 ZINC000628304672 354532863 /nfs/dbraw/zinc/53/28/63/354532863.db2.gz LKQFFIZLNHZYLY-CQSZACIVSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@@]1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCCS1 ZINC000628255879 354506871 /nfs/dbraw/zinc/50/68/71/354506871.db2.gz AMNDURROHXVQKY-NRXISQOPSA-N 2 0 268.470 2.879 20 0 CFADRP C[C@]1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCCS1 ZINC000628255880 354507482 /nfs/dbraw/zinc/50/74/82/354507482.db2.gz AMNDURROHXVQKY-YMAMQOFZSA-N 2 0 268.470 2.879 20 0 CFADRP C[N@H+](Cc1cccc2n[nH]cc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000628272998 354514155 /nfs/dbraw/zinc/51/41/55/354514155.db2.gz FRRNNECGYHLLOP-YIONKMFJSA-N 2 0 284.407 2.620 20 0 CFADRP CN(c1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000628409382 354580878 /nfs/dbraw/zinc/58/08/78/354580878.db2.gz QXEBRLWPUKGJGN-CALCHBBNSA-N 2 0 299.462 2.669 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000629388648 354799238 /nfs/dbraw/zinc/79/92/38/354799238.db2.gz RECXXRBVLAMVEY-HOTGVXAUSA-N 2 0 292.398 2.559 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000629390323 354800308 /nfs/dbraw/zinc/80/03/08/354800308.db2.gz OCYMGNSGGOXQJZ-LEUOFYLZSA-N 2 0 293.499 2.760 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000629389822 354800447 /nfs/dbraw/zinc/80/04/47/354800447.db2.gz AWDYMQYEKSBMJO-LEUOFYLZSA-N 2 0 287.451 2.552 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629389481 354800569 /nfs/dbraw/zinc/80/05/69/354800569.db2.gz YMMGVAHJAFRGEG-IAGOWNOFSA-N 2 0 288.435 2.729 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000629391563 354801062 /nfs/dbraw/zinc/80/10/62/354801062.db2.gz AIPMSPHGYCKSDO-OAHLLOKOSA-N 2 0 278.440 2.568 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000629392967 354801325 /nfs/dbraw/zinc/80/13/25/354801325.db2.gz WYARGCWQYNZVHL-DLBZAZTESA-N 2 0 276.424 2.538 20 0 CFADRP CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])CC1 ZINC000629400300 354803160 /nfs/dbraw/zinc/80/31/60/354803160.db2.gz TUFODUBOGNVJPH-LSDHHAIUSA-N 2 0 270.461 2.936 20 0 CFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCOCCC[NH3+] ZINC000629400680 354803253 /nfs/dbraw/zinc/80/32/53/354803253.db2.gz IKZQEONBLRYHRR-LLVKDONJSA-N 2 0 290.860 2.678 20 0 CFADRP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000629398697 354803301 /nfs/dbraw/zinc/80/33/01/354803301.db2.gz XFMHUKDTGIZRNB-UHFFFAOYSA-N 2 0 292.354 2.541 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000629528892 354833134 /nfs/dbraw/zinc/83/31/34/354833134.db2.gz MLZUTKSJKRDQCE-JTQLQIEISA-N 2 0 291.222 2.880 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000629529797 354833168 /nfs/dbraw/zinc/83/31/68/354833168.db2.gz NCKNPGXKQNBVGF-OAHLLOKOSA-N 2 0 282.453 2.805 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000629530664 354833930 /nfs/dbraw/zinc/83/39/30/354833930.db2.gz NAFUIPPMJYHGTK-MRXNPFEDSA-N 2 0 276.424 2.625 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000629518878 354826809 /nfs/dbraw/zinc/82/68/09/354826809.db2.gz CFUMZNKJONPBPK-QWHCGFSZSA-N 2 0 296.842 2.930 20 0 CFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000629531632 354834088 /nfs/dbraw/zinc/83/40/88/354834088.db2.gz RWJXIVRWTOWFHX-YHUYYLMFSA-N 2 0 268.445 2.830 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCCC23CCCC3)CCOCC1 ZINC000629521498 354827710 /nfs/dbraw/zinc/82/77/10/354827710.db2.gz RHIYZIITVIBKQX-CQSZACIVSA-N 2 0 266.429 2.587 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)nc1 ZINC000629523965 354828527 /nfs/dbraw/zinc/82/85/27/354828527.db2.gz ORZHMAJZOTZEKL-LSDHHAIUSA-N 2 0 275.440 2.645 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@H]1c1ccccc1 ZINC000629525129 354829634 /nfs/dbraw/zinc/82/96/34/354829634.db2.gz SUAOMBUVZHFHHV-JKSUJKDBSA-N 2 0 288.435 2.666 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000629526817 354830661 /nfs/dbraw/zinc/83/06/61/354830661.db2.gz AJWUNOPHKQRYLM-WCFLWFBJSA-N 2 0 260.372 2.931 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629528770 354832751 /nfs/dbraw/zinc/83/27/51/354832751.db2.gz IZLYTYJEYBUPHN-MRXNPFEDSA-N 2 0 264.413 2.526 20 0 CFADRP C[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)[C@H]1CC[NH3+] ZINC000629649818 354876514 /nfs/dbraw/zinc/87/65/14/354876514.db2.gz HQDZEODMSSBEPG-PBHICJAKSA-N 2 0 286.419 2.912 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2c1 ZINC000629534589 354834769 /nfs/dbraw/zinc/83/47/69/354834769.db2.gz ARIYNOLKQXXSAV-YOEHRIQHSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629535813 354835820 /nfs/dbraw/zinc/83/58/20/354835820.db2.gz FJGGTYIUCBTZLQ-XJKSGUPXSA-N 2 0 262.397 2.580 20 0 CFADRP CC1(C)CC(CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000629537669 354836530 /nfs/dbraw/zinc/83/65/30/354836530.db2.gz KMNUAJYHLQVGRD-JKSUJKDBSA-N 2 0 276.399 2.988 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000629652368 354878186 /nfs/dbraw/zinc/87/81/86/354878186.db2.gz BCVZHLYSBZHWAH-JKSUJKDBSA-N 2 0 272.392 2.570 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000629543559 354840736 /nfs/dbraw/zinc/84/07/36/354840736.db2.gz CNWXISIKYJGRJA-BHNDVYRESA-N 2 0 299.462 2.522 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548381 354843903 /nfs/dbraw/zinc/84/39/03/354843903.db2.gz FFXUPPRYQAVHCC-ZJUUUORDSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629549308 354844883 /nfs/dbraw/zinc/84/48/83/354844883.db2.gz GYMNVHVVBMWDOU-JGVFFNPUSA-N 2 0 266.332 2.982 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C)C1(F)F ZINC000629552379 354845840 /nfs/dbraw/zinc/84/58/40/354845840.db2.gz IRICYPOGFUZRSJ-BETUJISGSA-N 2 0 274.399 2.989 20 0 CFADRP CCC(CC)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559238 354847627 /nfs/dbraw/zinc/84/76/27/354847627.db2.gz ALJVNGKNNSQZJS-NEPJUHHUSA-N 2 0 266.351 2.882 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629565947 354849005 /nfs/dbraw/zinc/84/90/05/354849005.db2.gz XKLCGXOCESGNIP-NEPJUHHUSA-N 2 0 264.335 2.636 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000629568406 354849139 /nfs/dbraw/zinc/84/91/39/354849139.db2.gz VDKOTQQHKPDWNN-UHFFFAOYSA-N 2 0 278.440 2.652 20 0 CFADRP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629578671 354850249 /nfs/dbraw/zinc/85/02/49/354850249.db2.gz LETQZIROBMCIFE-CQSZACIVSA-N 2 0 278.440 2.952 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629584576 354851084 /nfs/dbraw/zinc/85/10/84/354851084.db2.gz SFJCTBPIWKCHKL-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP COCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000447366195 540040294 /nfs/dbraw/zinc/04/02/94/540040294.db2.gz RDPCYRDDSIKCQZ-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP CC1(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000629657217 354880488 /nfs/dbraw/zinc/88/04/88/354880488.db2.gz UYPPQHDGKUWTEX-QWRGUYRKSA-N 2 0 264.335 2.636 20 0 CFADRP CCn1nc(C)cc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629744568 354920392 /nfs/dbraw/zinc/92/03/92/354920392.db2.gz OLSTXYDYFWZXET-UHFFFAOYSA-N 2 0 298.434 2.802 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](CC(C)C)OC)C1 ZINC000419215509 283062619 /nfs/dbraw/zinc/06/26/19/283062619.db2.gz MKMUSIILLSFFMC-HOTGVXAUSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)OCC1CC1 ZINC000666214324 540048960 /nfs/dbraw/zinc/04/89/60/540048960.db2.gz VDBRSJXFOKEUBM-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP O[C@H](C[NH2+]C[C@@H]1CCCCN1C1CC1)CC1CCCC1 ZINC000571277449 383679792 /nfs/dbraw/zinc/67/97/92/383679792.db2.gz ISHXTASWQJDVAC-IRXDYDNUSA-N 2 0 280.456 2.534 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000328319174 540102254 /nfs/dbraw/zinc/10/22/54/540102254.db2.gz DGPIQVLEIMZFBD-UKRRQHHQSA-N 2 0 262.397 2.830 20 0 CFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000271838849 191359695 /nfs/dbraw/zinc/35/96/95/191359695.db2.gz GAKMHMWQKIUBNC-WFASDCNBSA-N 2 0 260.381 2.755 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631040963 355261052 /nfs/dbraw/zinc/26/10/52/355261052.db2.gz HFGJTQFHBCKJRY-UHFFFAOYSA-N 2 0 299.418 2.917 20 0 CFADRP COC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000271880036 191385754 /nfs/dbraw/zinc/38/57/54/191385754.db2.gz PFTQQDSWKYURNN-MRXNPFEDSA-N 2 0 296.361 2.504 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1Cc1ccccc1 ZINC000271846911 191364793 /nfs/dbraw/zinc/36/47/93/191364793.db2.gz HVKWIROILJUHNB-APWZRJJASA-N 2 0 299.462 2.501 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271845741 191365102 /nfs/dbraw/zinc/36/51/02/191365102.db2.gz HTKCDBXUCZAILX-CQSZACIVSA-N 2 0 274.408 2.916 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccnn1CC1CCC1)C1CC1 ZINC000631154701 355319158 /nfs/dbraw/zinc/31/91/58/355319158.db2.gz GIVYZIMWIALLRH-UHFFFAOYSA-N 2 0 290.455 2.647 20 0 CFADRP C[NH+](C)C1CC(NCc2ccc(CC(F)(F)F)cc2)C1 ZINC000631166601 355326655 /nfs/dbraw/zinc/32/66/55/355326655.db2.gz KEBMUWOCCIQZIU-UHFFFAOYSA-N 2 0 286.341 2.974 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1CC1 ZINC000631195406 355342780 /nfs/dbraw/zinc/34/27/80/355342780.db2.gz GOJRXJLFALLLOB-YOEHRIQHSA-N 2 0 258.409 2.754 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)CC(C)C ZINC000669425533 540148592 /nfs/dbraw/zinc/14/85/92/540148592.db2.gz TVMLCQTYRRMCOV-YMAMQOFZSA-N 2 0 256.434 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC000631568676 355490938 /nfs/dbraw/zinc/49/09/38/355490938.db2.gz CLXSPZGFAUKBJM-DYVFJYSZSA-N 2 0 274.408 2.614 20 0 CFADRP C1CCC2(C1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000631569975 355492371 /nfs/dbraw/zinc/49/23/71/355492371.db2.gz OFWPLUCRMIPAEY-QEOTZNIISA-N 2 0 290.451 2.551 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000631576939 355496976 /nfs/dbraw/zinc/49/69/76/355496976.db2.gz MGFQGBLZQSWCDA-HNNXBMFYSA-N 2 0 292.423 2.840 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCSC1 ZINC000631667868 355539798 /nfs/dbraw/zinc/53/97/98/355539798.db2.gz SRHGUZSQRVRMMX-OIISXLGYSA-N 2 0 290.476 2.850 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335918101 283107264 /nfs/dbraw/zinc/10/72/64/283107264.db2.gz GSJHCGOSVDFHGH-HZPDHXFCSA-N 2 0 278.440 2.506 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c(C)cc(C)nc2C)CC[C@@H]1[NH3+] ZINC000631825058 355596440 /nfs/dbraw/zinc/59/64/40/355596440.db2.gz XTBGORJERXBVBZ-HOCLYGCPSA-N 2 0 261.413 2.566 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000631827743 355597459 /nfs/dbraw/zinc/59/74/59/355597459.db2.gz VQRAHFMCXREODD-GOSISDBHSA-N 2 0 287.451 2.971 20 0 CFADRP FC1(F)CC[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000631826420 355597689 /nfs/dbraw/zinc/59/76/89/355597689.db2.gz MVSVGUOSJWLVGC-OCCSQVGLSA-N 2 0 272.383 2.743 20 0 CFADRP C(C[NH+]1CCC2(CCSCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000631837381 355599994 /nfs/dbraw/zinc/59/99/94/355599994.db2.gz RVNPMLYAJKBWST-HNNXBMFYSA-N 2 0 282.497 2.985 20 0 CFADRP C([C@@H]1CCC[NH2+]C1)[NH+]1CCC2(CCSCC2)CC1 ZINC000631837427 355600302 /nfs/dbraw/zinc/60/03/02/355600302.db2.gz SCSZHTZPSNKYKB-CQSZACIVSA-N 2 0 268.470 2.595 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631841348 355603671 /nfs/dbraw/zinc/60/36/71/355603671.db2.gz JOGNZWSXWXNJOI-CMPLNLGQSA-N 2 0 288.313 2.612 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229247956 540176488 /nfs/dbraw/zinc/17/64/88/540176488.db2.gz PXVMNRFEZPWJIQ-DZGCQCFKSA-N 2 0 266.429 2.537 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CCOC2)C1CC[NH+](C)CC1 ZINC000631729259 355566357 /nfs/dbraw/zinc/56/63/57/355566357.db2.gz KADFPCGKIUVTSP-AWEZNQCLSA-N 2 0 288.435 2.579 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631740742 355571328 /nfs/dbraw/zinc/57/13/28/355571328.db2.gz FHSMCGCSGNFTQD-LLLHUVSDSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3O)CC2)C1 ZINC000631740830 355571851 /nfs/dbraw/zinc/57/18/51/355571851.db2.gz JQTZTLLLQUFHSU-ORQFMDKSSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631740740 355571863 /nfs/dbraw/zinc/57/18/63/355571863.db2.gz FHSMCGCSGNFTQD-HJWJTTGWSA-N 2 0 280.456 2.533 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229281361 540177779 /nfs/dbraw/zinc/17/77/79/540177779.db2.gz HKRFTHKWFJHUDM-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367937 540179947 /nfs/dbraw/zinc/17/99/47/540179947.db2.gz RYUHKNHEYMYXNV-CABCVRRESA-N 2 0 266.429 2.539 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229367978 540180249 /nfs/dbraw/zinc/18/02/49/540180249.db2.gz TVCNANASFHHFLG-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000343993210 283137811 /nfs/dbraw/zinc/13/78/11/283137811.db2.gz RUWJFIYANWAADW-SIXLDLHFSA-N 2 0 286.419 2.625 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000680469795 540226670 /nfs/dbraw/zinc/22/66/70/540226670.db2.gz WAXSKPJZBDTNKI-GFCCVEGCSA-N 2 0 299.484 2.769 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCCCC2)C1 ZINC000366954665 283160210 /nfs/dbraw/zinc/16/02/10/283160210.db2.gz MGCTYUWYZNMGJM-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000429001133 291096476 /nfs/dbraw/zinc/09/64/76/291096476.db2.gz UFWHEXCXRHVGPM-SQNIBIBYSA-N 2 0 293.499 2.525 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000334846834 540253925 /nfs/dbraw/zinc/25/39/25/540253925.db2.gz ROBOADJIGVPBFI-CHWSQXEVSA-N 2 0 262.328 2.931 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](CCC)CC1 ZINC000353485915 283179598 /nfs/dbraw/zinc/17/95/98/283179598.db2.gz WCENGUUUOIEEKD-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000178974842 283195652 /nfs/dbraw/zinc/19/56/52/283195652.db2.gz VIYFBBSQGKIMGM-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000449061084 283214167 /nfs/dbraw/zinc/21/41/67/283214167.db2.gz UWHOKPDFDQIOPR-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)n1 ZINC000568075463 290522131 /nfs/dbraw/zinc/52/21/31/290522131.db2.gz YVSLEWPTPMGVHJ-JYVUQVBGSA-N 2 0 292.427 2.511 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CCC(C)(C)CC1)C1CC[NH+](C)CC1 ZINC000087046696 540259040 /nfs/dbraw/zinc/25/90/40/540259040.db2.gz DBQGDULGINUWDJ-CQSZACIVSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1nocc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000294131505 198921124 /nfs/dbraw/zinc/92/11/24/198921124.db2.gz NUOFDBWZYPDNQQ-UHFFFAOYSA-N 2 0 285.391 2.869 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000335542512 540270122 /nfs/dbraw/zinc/27/01/22/540270122.db2.gz GOEYCWSVAUEGLR-GDBMZVCRSA-N 2 0 266.429 2.504 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000336724662 540265036 /nfs/dbraw/zinc/26/50/36/540265036.db2.gz UTLPTDXAQJZKPE-SNVBAGLBSA-N 2 0 255.793 2.608 20 0 CFADRP c1cn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000339074405 540282019 /nfs/dbraw/zinc/28/20/19/540282019.db2.gz LCPQRWFRRXGMRT-IRXDYDNUSA-N 2 0 296.418 2.589 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339068494 540282627 /nfs/dbraw/zinc/28/26/27/540282627.db2.gz LAYZLALLAJFMTM-OKZBNKHCSA-N 2 0 293.499 2.713 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339067678 540283238 /nfs/dbraw/zinc/28/32/38/540283238.db2.gz BYDQBQGGJSSXGF-HOTGVXAUSA-N 2 0 292.398 2.811 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339068735 540283992 /nfs/dbraw/zinc/28/39/92/540283992.db2.gz MPXKRCXRAPOHDO-IKGGRYGDSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCCCC1 ZINC000583361953 325280767 /nfs/dbraw/zinc/28/07/67/325280767.db2.gz XETURABGMSFGTC-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000294461079 199048889 /nfs/dbraw/zinc/04/88/89/199048889.db2.gz WGDOOCLSHGUQMR-CJNGLKHVSA-N 2 0 292.423 2.712 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000211836167 540348910 /nfs/dbraw/zinc/34/89/10/540348910.db2.gz XMDGUPBIEIOBJZ-IAQYHMDHSA-N 2 0 266.816 2.737 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040837 299270091 /nfs/dbraw/zinc/27/00/91/299270091.db2.gz ICCYWJKHLFLNSX-SOEBMCCKSA-N 3 0 293.499 2.747 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000151092473 540354713 /nfs/dbraw/zinc/35/47/13/540354713.db2.gz CQHUFJSAYNQCQE-CVEARBPZSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250641706 540365022 /nfs/dbraw/zinc/36/50/22/540365022.db2.gz TZXDSKWECLPEBO-WBMJQRKESA-N 2 0 278.827 2.739 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250869199 540373818 /nfs/dbraw/zinc/37/38/18/540373818.db2.gz XYFCGCPVLLHNQW-OAGGEKHMSA-N 2 0 256.393 2.543 20 0 CFADRP Cc1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000151346544 540376258 /nfs/dbraw/zinc/37/62/58/540376258.db2.gz RQIOQWQJSOBTLX-UHFFFAOYSA-N 2 0 281.403 2.755 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000294653909 199125359 /nfs/dbraw/zinc/12/53/59/199125359.db2.gz CDUNEGCRFFHQPH-GOEBONIOSA-N 2 0 278.465 2.850 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ncccc2C)[C@@H](C)C1 ZINC000294683521 199132997 /nfs/dbraw/zinc/13/29/97/199132997.db2.gz ADJPZZNYBZVYMT-RDJZCZTQSA-N 2 0 275.440 2.643 20 0 CFADRP C[NH+](C)[C@H]1CCCN(Cc2cccc(O)c2Cl)CC1 ZINC000294689859 199135571 /nfs/dbraw/zinc/13/55/71/199135571.db2.gz NMVNIIKSGJHZQN-ZDUSSCGKSA-N 2 0 282.815 2.962 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c(Cl)c1 ZINC000235870724 540389325 /nfs/dbraw/zinc/38/93/25/540389325.db2.gz BCQNCUKNAFMIDG-UHFFFAOYSA-N 2 0 296.842 2.978 20 0 CFADRP C[C@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422753186 299277338 /nfs/dbraw/zinc/27/73/38/299277338.db2.gz FTKRBZNXMIWUOA-JYJNAYRXSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000164612570 291146293 /nfs/dbraw/zinc/14/62/93/291146293.db2.gz DBVWEOSYZDZWQT-DLBZAZTESA-N 3 0 281.488 2.715 20 0 CFADRP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000294854847 199215610 /nfs/dbraw/zinc/21/56/10/199215610.db2.gz PDHUHGILHOSTNA-CABCVRRESA-N 2 0 264.438 2.973 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000294913311 199244436 /nfs/dbraw/zinc/24/44/36/199244436.db2.gz CFWCKMZPEBUKIU-OAHLLOKOSA-N 2 0 261.413 2.600 20 0 CFADRP COC(=O)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000347961700 291153962 /nfs/dbraw/zinc/15/39/62/291153962.db2.gz NSEDRUSTOMDNAY-HOTGVXAUSA-N 2 0 296.455 2.572 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccncc1C ZINC000294925440 199251860 /nfs/dbraw/zinc/25/18/60/199251860.db2.gz BSXIHTRNKWYQTL-HNNXBMFYSA-N 2 0 263.429 2.990 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1(C)CC1 ZINC000423531757 299282570 /nfs/dbraw/zinc/28/25/70/299282570.db2.gz TZWVINCDRBVYKO-PQJKGVAHSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000414110341 299283168 /nfs/dbraw/zinc/28/31/68/299283168.db2.gz LOKHWHUMJKTBKH-IKGGRYGDSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CCCC1)C1C[NH2+]C1 ZINC000423064518 299285719 /nfs/dbraw/zinc/28/57/19/299285719.db2.gz RNNXHBIUDKJUDV-LBPRGKRZSA-N 2 0 294.389 2.974 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000093211249 540426554 /nfs/dbraw/zinc/42/65/54/540426554.db2.gz NLZSICCTRBFNQI-DLOVCJGASA-N 2 0 254.324 2.885 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000678428488 540433117 /nfs/dbraw/zinc/43/31/17/540433117.db2.gz UAZYXKRNFMKHMR-KBPBESRZSA-N 2 0 261.413 2.771 20 0 CFADRP Cc1csc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000093516439 540431679 /nfs/dbraw/zinc/43/16/79/540431679.db2.gz CQXALZNEUFOYBA-TZMCWYRMSA-N 2 0 281.469 2.894 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnccn1 ZINC000157924974 299289197 /nfs/dbraw/zinc/28/91/97/299289197.db2.gz VZOPGUKTFURZMZ-GJZGRUSLSA-N 2 0 276.428 2.639 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(N)ccc32)CC1 ZINC000094075410 540442188 /nfs/dbraw/zinc/44/21/88/540442188.db2.gz OSCJRNWLAJUVDN-KRWDZBQOSA-N 2 0 273.424 2.719 20 0 CFADRP CC(C)CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000094878694 540456987 /nfs/dbraw/zinc/45/69/87/540456987.db2.gz DDISALUORYMPCD-INIZCTEOSA-N 2 0 282.472 2.639 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000424371235 540462760 /nfs/dbraw/zinc/46/27/60/540462760.db2.gz DEZZQZMADBZENZ-HNNXBMFYSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000678606138 540471556 /nfs/dbraw/zinc/47/15/56/540471556.db2.gz HBIPJPOSHNHXCS-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422699972 237122984 /nfs/dbraw/zinc/12/29/84/237122984.db2.gz FQANUCJVMAZBMM-WNRNVDISSA-N 2 0 294.483 2.828 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000422706629 237124993 /nfs/dbraw/zinc/12/49/93/237124993.db2.gz UQWONOWEIDVCOO-KKXDTOCCSA-N 2 0 284.403 2.682 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422709610 237129526 /nfs/dbraw/zinc/12/95/26/237129526.db2.gz KUHVVEAFBJDSSM-MSOLQXFVSA-N 2 0 290.451 2.743 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000422712050 237129583 /nfs/dbraw/zinc/12/95/83/237129583.db2.gz NTPHLQWTFDMRQW-GVDBMIGSSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422717630 237135095 /nfs/dbraw/zinc/13/50/95/237135095.db2.gz VVJINKGHQSSUSU-QILLFSRXSA-N 2 0 272.436 2.985 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCSCC1 ZINC000422725047 237137329 /nfs/dbraw/zinc/13/73/29/237137329.db2.gz AGQZQLOKCPIACO-NSHDSACASA-N 2 0 279.453 2.643 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422765773 237181012 /nfs/dbraw/zinc/18/10/12/237181012.db2.gz REXULBNFDOWVKP-NWDGAFQWSA-N 2 0 286.366 2.839 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000422772910 237188457 /nfs/dbraw/zinc/18/84/57/237188457.db2.gz ZGOBFTHQZDZLTD-TUKIKUTGSA-N 2 0 290.432 2.743 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422772709 237189025 /nfs/dbraw/zinc/18/90/25/237189025.db2.gz XODOEWBSQCBULC-TZMCWYRMSA-N 2 0 252.789 2.600 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422745268 237158005 /nfs/dbraw/zinc/15/80/05/237158005.db2.gz LSSZYXOBAYPGSX-ARFHVFGLSA-N 2 0 289.467 2.927 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOCCC(C)C ZINC000422775494 237191505 /nfs/dbraw/zinc/19/15/05/237191505.db2.gz AMMRKUMYEZYBER-ZDUSSCGKSA-N 2 0 279.428 2.562 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c[nH]c21 ZINC000422775238 237191515 /nfs/dbraw/zinc/19/15/15/237191515.db2.gz ATVXNUDOEVDVLJ-STQMWFEESA-N 2 0 259.397 2.734 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422756969 237172153 /nfs/dbraw/zinc/17/21/53/237172153.db2.gz CSFUQRDZNUJBDQ-OAHLLOKOSA-N 2 0 296.842 2.715 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])COCc1ccccc1 ZINC000422760467 237174995 /nfs/dbraw/zinc/17/49/95/237174995.db2.gz LUJUDQPDHJNXQO-QLFBSQMISA-N 2 0 264.413 2.555 20 0 CFADRP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1C[NH2+]C1 ZINC000422762273 237175202 /nfs/dbraw/zinc/17/52/02/237175202.db2.gz MMJFAKLAPBKNOZ-BONVTDFDSA-N 2 0 264.800 2.989 20 0 CFADRP Cc1ccc([C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422764890 237177398 /nfs/dbraw/zinc/17/73/98/237177398.db2.gz OSNZQAQNGSYXSL-JTUUTPGSSA-N 2 0 258.409 2.971 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)COCc1ccccc1 ZINC000422764737 237178186 /nfs/dbraw/zinc/17/81/86/237178186.db2.gz QDCXWYOSHIVAEJ-NUJGCVRESA-N 2 0 290.451 2.817 20 0 CFADRP COCc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000422763422 237178866 /nfs/dbraw/zinc/17/88/66/237178866.db2.gz NRJCLGNSQJWHPE-BBRMVZONSA-N 2 0 280.387 2.579 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422773489 237191926 /nfs/dbraw/zinc/19/19/26/237191926.db2.gz UEZQAWXEOFJKDV-UONOGXRCSA-N 2 0 250.411 2.557 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000251206667 540534422 /nfs/dbraw/zinc/53/44/22/540534422.db2.gz XDRWXWLMURZBQN-IAGOWNOFSA-N 2 0 258.409 2.959 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000251206662 540534547 /nfs/dbraw/zinc/53/45/47/540534547.db2.gz XDRWXWLMURZBQN-DLBZAZTESA-N 2 0 258.409 2.959 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000422795518 237218713 /nfs/dbraw/zinc/21/87/13/237218713.db2.gz VWHUXEJNXYGGSC-UHFFFAOYSA-N 2 0 285.391 2.949 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422796010 237218834 /nfs/dbraw/zinc/21/88/34/237218834.db2.gz XINHUKAAFRGDPQ-BFYDXBDKSA-N 2 0 276.424 2.869 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797915 237220392 /nfs/dbraw/zinc/22/03/92/237220392.db2.gz PBNMFISKUGTBGJ-VHSXEESVSA-N 2 0 276.302 2.801 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc21 ZINC000422797177 237222591 /nfs/dbraw/zinc/22/25/91/237222591.db2.gz LHWJNEZWVHRSJD-IPELMVKDSA-N 2 0 299.462 2.985 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798596 237222613 /nfs/dbraw/zinc/22/26/13/237222613.db2.gz RXLVLLGWJVWSRX-VWYCJHECSA-N 2 0 256.340 2.784 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000422801993 237225877 /nfs/dbraw/zinc/22/58/77/237225877.db2.gz GLWBGVCLTBOWRB-RDJZCZTQSA-N 2 0 281.488 2.619 20 0 CFADRP CC[C@H]1C[N@H+](CCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251835763 540552788 /nfs/dbraw/zinc/55/27/88/540552788.db2.gz QIJLHIIDKNLVIB-GOEBONIOSA-N 2 0 262.397 2.515 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422773459 237193005 /nfs/dbraw/zinc/19/30/05/237193005.db2.gz UBFDFHRSEPKCGT-IUODEOHRSA-N 2 0 282.428 2.776 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422777132 237195465 /nfs/dbraw/zinc/19/54/65/237195465.db2.gz FKEBXTYLQDCQGQ-DOTOQJQBSA-N 2 0 260.425 2.824 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCOCC(C)C ZINC000422777933 237196001 /nfs/dbraw/zinc/19/60/01/237196001.db2.gz CYLQCEWPJXBITR-ZDUSSCGKSA-N 2 0 279.428 2.562 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2C)CC[C@H]1[NH3+] ZINC000251905881 540554615 /nfs/dbraw/zinc/55/46/15/540554615.db2.gz XHJHPMVIHKCBJK-DZGCQCFKSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422777375 237196167 /nfs/dbraw/zinc/19/61/67/237196167.db2.gz FKVGOWJAKZUTHG-WFASDCNBSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Oc1ccc(F)cc1 ZINC000422779206 237198816 /nfs/dbraw/zinc/19/88/16/237198816.db2.gz BTOXWCWLINZTEI-KCXAZCMYSA-N 2 0 280.387 2.843 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H](C)CCCC[NH3+])nc21 ZINC000422802219 237227835 /nfs/dbraw/zinc/22/78/35/237227835.db2.gz CZGUMLFFFCFDRS-CYBMUJFWSA-N 2 0 275.396 2.786 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCO[C@H](C)c1ccccc1 ZINC000422791367 237212025 /nfs/dbraw/zinc/21/20/25/237212025.db2.gz UYPMXQOGAKGCBH-RRFJBIMHSA-N 2 0 264.413 2.870 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422788917 237212798 /nfs/dbraw/zinc/21/27/98/237212798.db2.gz WBTCYMFXMQMJGK-KGLIPLIRSA-N 2 0 264.413 2.906 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422789309 237212936 /nfs/dbraw/zinc/21/29/36/237212936.db2.gz NYLMCDYYOJAHLA-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1ccc(F)cc1 ZINC000422793366 237213869 /nfs/dbraw/zinc/21/38/69/237213869.db2.gz SALBKKVMJCDLHQ-IOASZLSFSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792605 237214264 /nfs/dbraw/zinc/21/42/64/237214264.db2.gz XIDXUNOETIYLOK-DTWKUNHWSA-N 2 0 291.226 2.516 20 0 CFADRP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)(C)C ZINC000422815511 237242786 /nfs/dbraw/zinc/24/27/86/237242786.db2.gz XSFCQAQSHHMGEP-CWRNSKLLSA-N 2 0 278.440 2.596 20 0 CFADRP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)(C)C ZINC000422815512 237244310 /nfs/dbraw/zinc/24/43/10/237244310.db2.gz XSFCQAQSHHMGEP-FVQBIDKESA-N 2 0 278.440 2.596 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422818879 237247729 /nfs/dbraw/zinc/24/77/29/237247729.db2.gz HHMHGQXLSJZUAA-SWLSCSKDSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1nc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000422819578 237248682 /nfs/dbraw/zinc/24/86/82/237248682.db2.gz NMDPOESYVPVVTL-MLGOLLRUSA-N 2 0 289.448 2.542 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOCc1ccccc1 ZINC000422823762 237252946 /nfs/dbraw/zinc/25/29/46/237252946.db2.gz MDQDBCYHWMQGBO-AWEZNQCLSA-N 2 0 299.418 2.716 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415912 540562262 /nfs/dbraw/zinc/56/22/62/540562262.db2.gz MIGHMMUKCZUJMI-NVXWUHKLSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422828228 237254730 /nfs/dbraw/zinc/25/47/30/237254730.db2.gz OAQWRUSBVIHREJ-JSGCOSHPSA-N 2 0 297.240 2.709 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831405 237257451 /nfs/dbraw/zinc/25/74/51/237257451.db2.gz SQDKYSMYLYOWDE-AWEZNQCLSA-N 3 0 295.496 2.677 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422830824 237257826 /nfs/dbraw/zinc/25/78/26/237257826.db2.gz DCSPNGIQFGHBOK-VYDXJSESSA-N 2 0 275.440 2.913 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422834220 237258997 /nfs/dbraw/zinc/25/89/97/237258997.db2.gz XAMDLBXQPYIMIO-AEFFLSMTSA-N 2 0 289.467 2.849 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836866 237261724 /nfs/dbraw/zinc/26/17/24/237261724.db2.gz KSGHTBKHRGJIQS-NOLJZWGESA-N 2 0 293.842 2.636 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422806958 237229936 /nfs/dbraw/zinc/22/99/36/237229936.db2.gz JCORVULMUNWAAU-OHFALNGGSA-N 2 0 276.424 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)C[C@@H]21 ZINC000252836014 540568457 /nfs/dbraw/zinc/56/84/57/540568457.db2.gz WEOPBDQZSAAOAY-TXCZRRACSA-N 2 0 286.419 2.612 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422810733 237238192 /nfs/dbraw/zinc/23/81/92/237238192.db2.gz UTFPXNXRLDPUCF-QWHCGFSZSA-N 2 0 289.423 2.641 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422814431 237238959 /nfs/dbraw/zinc/23/89/59/237238959.db2.gz UTLYPSHSERICEV-HOCLYGCPSA-N 2 0 258.409 2.838 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422814514 237240906 /nfs/dbraw/zinc/24/09/06/237240906.db2.gz VGBJSURZBOMGGP-CAOSSQGBSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422854476 237277490 /nfs/dbraw/zinc/27/74/90/237277490.db2.gz AUDSBNUQSSIDDE-NVXWUHKLSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422880071 237297891 /nfs/dbraw/zinc/29/78/91/237297891.db2.gz LOMOXBRDXSHALB-GHMZBOCLSA-N 2 0 290.329 2.843 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422840354 237264785 /nfs/dbraw/zinc/26/47/85/237264785.db2.gz BJNJKJAZUCTBTM-ZDUSSCGKSA-N 2 0 264.388 2.964 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422843348 237267318 /nfs/dbraw/zinc/26/73/18/237267318.db2.gz HZFCCDVQOBYQDY-KRWDZBQOSA-N 2 0 292.467 2.870 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000422842517 237268822 /nfs/dbraw/zinc/26/88/22/237268822.db2.gz YOAPSSHPGVVRFM-FUHWJXTLSA-N 2 0 290.451 2.961 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)CCC[NH3+])c[nH]c2c1 ZINC000422847588 237270523 /nfs/dbraw/zinc/27/05/23/237270523.db2.gz RVPMLSJAXKMKFK-ZDUSSCGKSA-N 2 0 259.397 2.736 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856426 540588046 /nfs/dbraw/zinc/58/80/46/540588046.db2.gz HQQKEZQBJUXBKN-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422850969 237272818 /nfs/dbraw/zinc/27/28/18/237272818.db2.gz WLZBRNCDTGYROM-INIZCTEOSA-N 2 0 294.414 2.591 20 0 CFADRP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422849272 237273039 /nfs/dbraw/zinc/27/30/39/237273039.db2.gz BTBNSGDBXRGZDT-CABCVRRESA-N 2 0 294.439 2.626 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422851461 237273778 /nfs/dbraw/zinc/27/37/78/237273778.db2.gz OXTBOIXUQLAQLG-XQQFMLRXSA-N 2 0 296.377 2.699 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995671 540603847 /nfs/dbraw/zinc/60/38/47/540603847.db2.gz WBOQDOGLDCPJSQ-TZMCWYRMSA-N 2 0 264.438 2.943 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893695 237314892 /nfs/dbraw/zinc/31/48/92/237314892.db2.gz QZVOLCKVGALOQW-OLZOCXBDSA-N 2 0 288.313 2.597 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422892439 237317134 /nfs/dbraw/zinc/31/71/34/237317134.db2.gz YOZGIUGCIGUNKO-GXFFZTMASA-N 2 0 268.788 2.566 20 0 CFADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1F ZINC000422898536 237320955 /nfs/dbraw/zinc/32/09/55/237320955.db2.gz FIGUNKJNJYJGHA-NWDGAFQWSA-N 2 0 290.386 2.535 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000157686327 540612864 /nfs/dbraw/zinc/61/28/64/540612864.db2.gz IYECJADADLRPFH-OAHLLOKOSA-N 2 0 276.449 2.660 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422923597 237357235 /nfs/dbraw/zinc/35/72/35/237357235.db2.gz WSNOVDAGHPDNMG-MISXGVKJSA-N 2 0 270.804 2.743 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422932650 237363681 /nfs/dbraw/zinc/36/36/81/237363681.db2.gz GGGAYMCAUDPJAE-KYNGSXCRSA-N 2 0 298.430 2.724 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422936734 237368918 /nfs/dbraw/zinc/36/89/18/237368918.db2.gz FXRRTANIFOECIL-HZPDHXFCSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000422940705 237370960 /nfs/dbraw/zinc/37/09/60/237370960.db2.gz UFQYZHRPXLQUIM-NXEZZACHSA-N 2 0 271.202 2.665 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422916331 237345976 /nfs/dbraw/zinc/34/59/76/237345976.db2.gz ACOLZNRBNNNCKV-NUEKZKHPSA-N 2 0 280.387 2.620 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422945299 237375545 /nfs/dbraw/zinc/37/55/45/237375545.db2.gz NKRJSQHZKPAEMU-RDJZCZTQSA-N 2 0 276.424 2.789 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422949092 237376216 /nfs/dbraw/zinc/37/62/16/237376216.db2.gz SRXVLVHYMCLCGY-WBVHZDCISA-N 2 0 284.403 2.936 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422951084 237383086 /nfs/dbraw/zinc/38/30/86/237383086.db2.gz XKWGIQSCBJGYSR-SJCJKPOMSA-N 2 0 290.407 2.626 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000422950373 237383526 /nfs/dbraw/zinc/38/35/26/237383526.db2.gz XVFRSFCDMZRARY-UHFFFAOYSA-N 2 0 284.350 2.895 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950570 237384424 /nfs/dbraw/zinc/38/44/24/237384424.db2.gz YJXZJZHCGRRDSC-NXEZZACHSA-N 2 0 258.312 2.503 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422958840 237386890 /nfs/dbraw/zinc/38/68/90/237386890.db2.gz QDOIDBPYODXHGV-DVJFUJMWSA-N 2 0 256.393 2.855 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000422960561 237391489 /nfs/dbraw/zinc/39/14/89/237391489.db2.gz WWIJBMDZJFHMCW-OCCSQVGLSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422962224 237391920 /nfs/dbraw/zinc/39/19/20/237391920.db2.gz CDCNGIWYGJNBCF-SWHYSGLUSA-N 2 0 265.401 2.502 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC(F)(F)F ZINC000422968441 237398040 /nfs/dbraw/zinc/39/80/40/237398040.db2.gz QVAAWXBWFDEHMO-VIFPVBQESA-N 2 0 275.318 2.842 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCC1=CCCCCC1 ZINC000423056887 237487095 /nfs/dbraw/zinc/48/70/95/237487095.db2.gz YYHFIDNUZMEUOJ-HNNXBMFYSA-N 2 0 254.418 2.611 20 0 CFADRP C[N@@H+](Cc1csc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000259031375 540676741 /nfs/dbraw/zinc/67/67/41/540676741.db2.gz ZSYXLEZOOYIKID-LBPRGKRZSA-N 2 0 260.406 2.943 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404341680 540677576 /nfs/dbraw/zinc/67/75/76/540677576.db2.gz DYWOOXCSZKTOGQ-DJIMGWMZSA-N 2 0 276.424 2.823 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000298267082 200376821 /nfs/dbraw/zinc/37/68/21/200376821.db2.gz GCUMTELQTQWPDG-AWEZNQCLSA-N 2 0 266.816 2.814 20 0 CFADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC000382139629 540701754 /nfs/dbraw/zinc/70/17/54/540701754.db2.gz PGJFTDHWKOPSFH-HOTGVXAUSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)CCO[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162207800 540704152 /nfs/dbraw/zinc/70/41/52/540704152.db2.gz VPKMOKNCFSTNKI-JKSUJKDBSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000177953558 189081964 /nfs/dbraw/zinc/08/19/64/189081964.db2.gz LSQWLQAFZYVIKW-ARFHVFGLSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@]1(c2ccccc2)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000521845507 540733927 /nfs/dbraw/zinc/73/39/27/540733927.db2.gz RBILRBYPVYIKTJ-SJLPKXTDSA-N 2 0 288.435 2.624 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000178549315 189126139 /nfs/dbraw/zinc/12/61/39/189126139.db2.gz PUROAFSAZCQCKW-UMPJEAMMSA-N 2 0 276.424 2.558 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000054240107 540781699 /nfs/dbraw/zinc/78/16/99/540781699.db2.gz LHLREDQUWJEMCI-AWEZNQCLSA-N 2 0 266.816 2.814 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969625 296020882 /nfs/dbraw/zinc/02/08/82/296020882.db2.gz UXTRFVDJEXQVJH-XNIRIUNOSA-N 3 0 281.488 2.745 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422904289 296020948 /nfs/dbraw/zinc/02/09/48/296020948.db2.gz GRZRQZXWRTZQQS-NEPJUHHUSA-N 2 0 281.469 2.670 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000385685597 540818167 /nfs/dbraw/zinc/81/81/67/540818167.db2.gz CACKYUVEAYQEIU-QGZVFWFLSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414909710 540830232 /nfs/dbraw/zinc/83/02/32/540830232.db2.gz CFMKWANBWNBGOT-GJZGRUSLSA-N 2 0 284.407 2.540 20 0 CFADRP COc1ccc(C[N@H+](CCC[NH3+])[C@H](C)C2CC2)c(OC)c1 ZINC000414734465 540828419 /nfs/dbraw/zinc/82/84/19/540828419.db2.gz DZORCCDBCLAWPL-CYBMUJFWSA-N 2 0 292.423 2.653 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c2O1 ZINC000414923246 540830297 /nfs/dbraw/zinc/83/02/97/540830297.db2.gz IBVNVYSYTGJJJP-GJZGRUSLSA-N 2 0 274.408 2.760 20 0 CFADRP [NH3+]CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000414756796 540828498 /nfs/dbraw/zinc/82/84/98/540828498.db2.gz KFYSKRCESCGCGM-BBWFWOEESA-N 2 0 258.409 2.993 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1OC(C)C ZINC000414906956 540829843 /nfs/dbraw/zinc/82/98/43/540829843.db2.gz ACIMQXJYAKFOPM-CABCVRRESA-N 2 0 292.423 2.842 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2CCCOC2)C1 ZINC000674301689 540820044 /nfs/dbraw/zinc/82/00/44/540820044.db2.gz FQEZQRATUPPRQV-IKGGRYGDSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1C[NH2+]C1 ZINC000423096550 238198051 /nfs/dbraw/zinc/19/80/51/238198051.db2.gz PFZFERMBIKEBOY-WBIUFABUSA-N 2 0 264.800 2.784 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423095463 238198582 /nfs/dbraw/zinc/19/85/82/238198582.db2.gz MLDWWBRKPJQUAG-GPMKHBRKSA-N 2 0 280.362 2.798 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000423096078 238198850 /nfs/dbraw/zinc/19/88/50/238198850.db2.gz NZMOFPAQJFLKFF-IVZWLZJFSA-N 2 0 286.217 2.621 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)c2ccccc21 ZINC000423097585 238199419 /nfs/dbraw/zinc/19/94/19/238199419.db2.gz JLQZPTDTBWGEAL-ZTFGCOKTSA-N 2 0 288.435 2.910 20 0 CFADRP Fc1cccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423100217 238199620 /nfs/dbraw/zinc/19/96/20/238199620.db2.gz URWOBZZUBXJLEL-ABWAJUOPSA-N 2 0 274.383 2.944 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423121969 238213194 /nfs/dbraw/zinc/21/31/94/238213194.db2.gz BPNTWJCRCJPIRT-MGHWNKPDSA-N 2 0 288.435 2.522 20 0 CFADRP COC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000423123039 238214725 /nfs/dbraw/zinc/21/47/25/238214725.db2.gz LRZZYAFGNAJLMV-YMAMQOFZSA-N 2 0 282.815 2.887 20 0 CFADRP COc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423127047 238217452 /nfs/dbraw/zinc/21/74/52/238217452.db2.gz SPLQQEWRAVQNCF-XYPWUTKMSA-N 2 0 286.419 2.599 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928519 540831398 /nfs/dbraw/zinc/83/13/98/540831398.db2.gz QDGXQNQPASRDLS-JFOCPDPESA-N 2 0 260.381 2.568 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000414925087 540831442 /nfs/dbraw/zinc/83/14/42/540831442.db2.gz KZHBEOIBSBIKGY-JKSUJKDBSA-N 2 0 274.408 2.835 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000414932576 540831808 /nfs/dbraw/zinc/83/18/08/540831808.db2.gz VVYJDBITTAREKF-VXGBXAGGSA-N 2 0 256.752 2.839 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000414932908 540831913 /nfs/dbraw/zinc/83/19/13/540831913.db2.gz WEMUXSYPNMYNMK-NWANDNLSSA-N 2 0 294.414 2.872 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000414937195 540831953 /nfs/dbraw/zinc/83/19/53/540831953.db2.gz ZWPBRRBXJSZLMS-VXGBXAGGSA-N 2 0 290.436 2.633 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414933928 540832040 /nfs/dbraw/zinc/83/20/40/540832040.db2.gz XEVCTXSOGOEAAF-MRVWCRGKSA-N 2 0 252.427 2.929 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423131215 238219906 /nfs/dbraw/zinc/21/99/06/238219906.db2.gz HNNLOLMHZZJAPT-CQSZACIVSA-N 2 0 286.366 2.642 20 0 CFADRP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423111851 238206578 /nfs/dbraw/zinc/20/65/78/238206578.db2.gz WUBMTADXFVFSHV-MAZHCROVSA-N 2 0 295.858 2.673 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423114050 238207240 /nfs/dbraw/zinc/20/72/40/238207240.db2.gz ZUMNRCCAMYZLFY-YWPYICTPSA-N 2 0 283.847 2.658 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2)cc1F ZINC000423117287 238208579 /nfs/dbraw/zinc/20/85/79/238208579.db2.gz UQNHSEBWTOZPJC-HBJVGIJOSA-N 2 0 280.387 2.796 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179137835 189172282 /nfs/dbraw/zinc/17/22/82/189172282.db2.gz HVSDRBQTMRFERL-GXTWGEPZSA-N 2 0 299.846 2.742 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000423117834 238211797 /nfs/dbraw/zinc/21/17/97/238211797.db2.gz XMWIMRHFDMLNHP-BBRMVZONSA-N 2 0 271.408 2.688 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423138766 238226455 /nfs/dbraw/zinc/22/64/55/238226455.db2.gz TZOXKIABGCPWJB-ZIAGYGMSSA-N 2 0 260.406 2.913 20 0 CFADRP CCn1ccnc1[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423157781 238241171 /nfs/dbraw/zinc/24/11/71/238241171.db2.gz VURUUYRGIKUDNC-CQDKDKBSSA-N 2 0 270.380 2.698 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000335240521 283592509 /nfs/dbraw/zinc/59/25/09/283592509.db2.gz PXDGDGHVKOZHJD-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H](c1ccncc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198020 540843975 /nfs/dbraw/zinc/84/39/75/540843975.db2.gz BMSHRNVVSGDCSG-XJKSGUPXSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@H](c1ccncc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198017 540844015 /nfs/dbraw/zinc/84/40/15/540844015.db2.gz BMSHRNVVSGDCSG-CJNGLKHVSA-N 2 0 259.397 2.607 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1Cl ZINC000423144071 238230803 /nfs/dbraw/zinc/23/08/03/238230803.db2.gz YISKIMXPKZGLDG-UONOGXRCSA-N 2 0 252.789 2.660 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158355 238241232 /nfs/dbraw/zinc/24/12/32/238241232.db2.gz WLVMOUCVKNTVLR-QMTHXVAHSA-N 2 0 286.778 2.575 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145171 238231265 /nfs/dbraw/zinc/23/12/65/238231265.db2.gz JKZAQHCKZXRPER-XJKSGUPXSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)(C)C ZINC000670265040 540845986 /nfs/dbraw/zinc/84/59/86/540845986.db2.gz GRVBIBLVRZEQGZ-ZACQAIPSSA-N 2 0 295.515 2.626 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423152148 238236319 /nfs/dbraw/zinc/23/63/19/238236319.db2.gz DQYZNUSZXCRAFL-JQWIXIFHSA-N 2 0 287.329 2.578 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423148747 238237649 /nfs/dbraw/zinc/23/76/49/238237649.db2.gz WLLGWMVDWTVPJS-GQGQLFGLSA-N 2 0 292.398 2.545 20 0 CFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423132152 238222158 /nfs/dbraw/zinc/22/21/58/238222158.db2.gz OSCAXARMMBNXTN-RRQGHBQHSA-N 2 0 258.409 2.910 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCCCC1 ZINC000423137547 238223939 /nfs/dbraw/zinc/22/39/39/238223939.db2.gz HZXYWDCPGUKABC-HUUCEWRRSA-N 2 0 268.445 2.690 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1Cl ZINC000423139074 238226154 /nfs/dbraw/zinc/22/61/54/238226154.db2.gz KEZWDSUEVLFNLO-JGGQBBKZSA-N 2 0 296.842 2.533 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCCCC1 ZINC000423174998 238253574 /nfs/dbraw/zinc/25/35/74/238253574.db2.gz CNXXPOWEAKOLGI-RRFJBIMHSA-N 2 0 278.440 2.585 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423179079 238258017 /nfs/dbraw/zinc/25/80/17/238258017.db2.gz GVOVFBDLUTZKSQ-CSMYWGQOSA-N 2 0 274.408 2.529 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C12CCC2 ZINC000423165859 238247317 /nfs/dbraw/zinc/24/73/17/238247317.db2.gz BKOFAICUWNWWFO-BPKGMFCQSA-N 2 0 292.467 2.844 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc12 ZINC000423170487 238250993 /nfs/dbraw/zinc/25/09/93/238250993.db2.gz MEWKFDOXSBAMCO-KZNAEPCWSA-N 3 0 298.434 2.735 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CCCCCC1 ZINC000423200963 238273839 /nfs/dbraw/zinc/27/38/39/238273839.db2.gz NRPCZLFUKJYNJK-RYUDHWBXSA-N 2 0 294.361 2.738 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423228511 238290618 /nfs/dbraw/zinc/29/06/18/238290618.db2.gz ZXESSIRWTMIIJM-GXFFZTMASA-N 2 0 290.329 2.720 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423227967 238291964 /nfs/dbraw/zinc/29/19/64/238291964.db2.gz XSGBLHZFJLDKAR-NWANDNLSSA-N 2 0 262.397 2.559 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423211371 238281671 /nfs/dbraw/zinc/28/16/71/238281671.db2.gz KZMJSLGBXRHFAU-ZBFHGGJFSA-N 2 0 298.434 2.831 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218092 238284710 /nfs/dbraw/zinc/28/47/10/238284710.db2.gz UUKQUSYMIWLWGR-SJLPKXTDSA-N 2 0 272.436 2.905 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cnn1C(C)C ZINC000423266355 238322680 /nfs/dbraw/zinc/32/26/80/238322680.db2.gz BTTFNXVUKGADTJ-JGGQBBKZSA-N 2 0 278.444 2.941 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000423241171 238302123 /nfs/dbraw/zinc/30/21/23/238302123.db2.gz UQULQPIUASXDRO-NFAWXSAZSA-N 2 0 292.423 2.537 20 0 CFADRP c1ccc([C@@H]2CC[C@@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000423246440 238305823 /nfs/dbraw/zinc/30/58/23/238305823.db2.gz KBGRHHYFWFUZDT-DJIMGWMZSA-N 2 0 258.409 2.912 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000155754004 540904397 /nfs/dbraw/zinc/90/43/97/540904397.db2.gz YLSGESSCZPOOEW-GOEBONIOSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254485 238310229 /nfs/dbraw/zinc/31/02/29/238310229.db2.gz YEJAMGGWCBIKLH-OLZOCXBDSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423254168 238310821 /nfs/dbraw/zinc/31/08/21/238310821.db2.gz XJTDVOPWFRTFCY-NEPJUHHUSA-N 2 0 252.789 2.990 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423255809 238312666 /nfs/dbraw/zinc/31/26/66/238312666.db2.gz CUMQINXUVGQTJB-ZIAGYGMSSA-N 2 0 292.423 2.744 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423255888 238312998 /nfs/dbraw/zinc/31/29/98/238312998.db2.gz DCJKXBODPACJJG-CVEARBPZSA-N 2 0 298.434 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353439398 540910616 /nfs/dbraw/zinc/91/06/16/540910616.db2.gz XBOJARQFMHEOHA-OLZOCXBDSA-N 2 0 252.406 2.571 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000353495554 540912589 /nfs/dbraw/zinc/91/25/89/540912589.db2.gz IOJNDXBYAQEIOC-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423257668 238315743 /nfs/dbraw/zinc/31/57/43/238315743.db2.gz KPJKWRSWYREEPQ-RYUDHWBXSA-N 2 0 267.804 2.775 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423283181 238342286 /nfs/dbraw/zinc/34/22/86/238342286.db2.gz DUAWJCDNCKPKMA-RYUDHWBXSA-N 2 0 280.412 2.523 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1N(C)C ZINC000423283015 238342662 /nfs/dbraw/zinc/34/26/62/238342662.db2.gz VQMJPPDHMYIOKO-DZKIICNBSA-N 2 0 275.440 2.921 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000156528031 540932929 /nfs/dbraw/zinc/93/29/29/540932929.db2.gz ANHVLOOATCGIQE-ZFWWWQNUSA-N 2 0 280.412 2.595 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCSc1ccccc1)C2 ZINC000388924300 540929902 /nfs/dbraw/zinc/92/99/02/540929902.db2.gz KRQYSFIRSBMMJX-HOCLYGCPSA-N 2 0 276.449 2.840 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423292172 238351443 /nfs/dbraw/zinc/35/14/43/238351443.db2.gz LTWGDBWQCYWWMJ-YZVOILCLSA-N 2 0 297.446 2.754 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423296948 238353078 /nfs/dbraw/zinc/35/30/78/238353078.db2.gz IBIFZZYYQHAUII-UTUOFQBUSA-N 2 0 277.437 2.973 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423295831 238353378 /nfs/dbraw/zinc/35/33/78/238353378.db2.gz FVEOVRYUPXPFEA-ZWNOBZJWSA-N 2 0 268.788 2.738 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423296482 238354557 /nfs/dbraw/zinc/35/45/57/238354557.db2.gz HADHNQZMRDOUQF-RNCFNFMXSA-N 2 0 288.313 2.757 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])oc21 ZINC000423298002 238356264 /nfs/dbraw/zinc/35/62/64/238356264.db2.gz MRVLIKWQFPDZNB-QWRGUYRKSA-N 2 0 262.353 2.687 20 0 CFADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305544 238361110 /nfs/dbraw/zinc/36/11/10/238361110.db2.gz RDMQELGPWVDFNE-GJZGRUSLSA-N 2 0 264.800 2.785 20 0 CFADRP FC(F)(F)c1cccc([C@H]([NH2+]CC2C[NH2+]C2)C2CC2)c1 ZINC000423304702 238361344 /nfs/dbraw/zinc/36/13/44/238361344.db2.gz OVBCOSZGXMBFBP-CQSZACIVSA-N 2 0 284.325 2.966 20 0 CFADRP COC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423324854 238378718 /nfs/dbraw/zinc/37/87/18/238378718.db2.gz JDTZNMMUIWAHIE-OAHLLOKOSA-N 2 0 298.377 2.632 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000158437199 540973201 /nfs/dbraw/zinc/97/32/01/540973201.db2.gz QEKLBBFXNKWMSY-ZBFHGGJFSA-N 2 0 288.435 2.873 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423330962 238383811 /nfs/dbraw/zinc/38/38/11/238383811.db2.gz NZVAHXWXVBKEEQ-CZUORRHYSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000423334876 238386670 /nfs/dbraw/zinc/38/66/70/238386670.db2.gz GCIWRXDTBCZYQM-VIFPVBQESA-N 2 0 256.802 2.972 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423337423 238388702 /nfs/dbraw/zinc/38/87/02/238388702.db2.gz VOKVIYYPUASLGK-DAXOMENPSA-N 2 0 274.408 2.658 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000390770686 540982581 /nfs/dbraw/zinc/98/25/81/540982581.db2.gz IYJLDCZNYYFLOM-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000390781422 540983003 /nfs/dbraw/zinc/98/30/03/540983003.db2.gz REFPZBLQAOHYHS-RDJZCZTQSA-N 2 0 298.434 2.973 20 0 CFADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423337498 238389214 /nfs/dbraw/zinc/38/92/14/238389214.db2.gz YJJSWRUFYQRVEA-UKRRQHHQSA-N 2 0 264.800 2.785 20 0 CFADRP c1ccc([C@H]2CC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423360144 238406826 /nfs/dbraw/zinc/40/68/26/238406826.db2.gz VSPBIWGXYHQLRY-DLBZAZTESA-N 2 0 256.393 2.832 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423340948 238391141 /nfs/dbraw/zinc/39/11/41/238391141.db2.gz JRJFJXZCIWQUHK-KRWDZBQOSA-N 2 0 256.393 2.517 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340240 238391299 /nfs/dbraw/zinc/39/12/99/238391299.db2.gz VSVGJSIIIWPRJC-LLVKDONJSA-N 2 0 268.426 2.797 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)C1 ZINC000423347026 238395540 /nfs/dbraw/zinc/39/55/40/238395540.db2.gz PXLWTIMKZCGDCH-MAUKXSAKSA-N 3 0 291.483 2.539 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c(F)c1 ZINC000423464988 238472073 /nfs/dbraw/zinc/47/20/73/238472073.db2.gz WHOVUOCZIMKJQQ-QWRGUYRKSA-N 2 0 254.349 2.612 20 0 CFADRP C[NH+](C)CCCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424127900 238677427 /nfs/dbraw/zinc/67/74/27/238677427.db2.gz DRDHXOMTUPIMHD-INIZCTEOSA-N 2 0 297.487 2.522 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671741764 541063284 /nfs/dbraw/zinc/06/32/84/541063284.db2.gz WRTZHBVHHMAZMZ-NWDGAFQWSA-N 2 0 289.379 2.526 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671751313 541078934 /nfs/dbraw/zinc/07/89/34/541078934.db2.gz CKLIYYCWCKPQMC-BRWVUGGUSA-N 2 0 288.435 2.966 20 0 CFADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnc[nH]1 ZINC000183920865 189371104 /nfs/dbraw/zinc/37/11/04/189371104.db2.gz PENFZBBAHKWMAD-UHFFFAOYSA-N 2 0 299.422 2.543 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000425339756 239000824 /nfs/dbraw/zinc/00/08/24/239000824.db2.gz CYNBQYQGVDZUFD-GJZGRUSLSA-N 2 0 264.438 2.732 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770407 541142155 /nfs/dbraw/zinc/14/21/55/541142155.db2.gz ZAMIRNQZNLRGLL-BPQIPLTHSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666832320 541149777 /nfs/dbraw/zinc/14/97/77/541149777.db2.gz AOUHKZMPVCLVSN-JTQLQIEISA-N 2 0 263.772 2.715 20 0 CFADRP CC1(C[NH2+]C[C@H]2CCOc3ccccc32)CC[NH2+]CC1 ZINC000666840432 541150017 /nfs/dbraw/zinc/15/00/17/541150017.db2.gz MZSSOIJNNPKZCC-CQSZACIVSA-N 2 0 274.408 2.532 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000666842314 541150622 /nfs/dbraw/zinc/15/06/22/541150622.db2.gz WCSVKEFWGGEFIA-KRWDZBQOSA-N 2 0 276.424 2.955 20 0 CFADRP COc1cccc(CN[C@H]2CCC[NH2+]CC2)c1OC(C)C ZINC000666853922 541151775 /nfs/dbraw/zinc/15/17/75/541151775.db2.gz NXBGIZGDLDIEHD-HNNXBMFYSA-N 2 0 292.423 2.714 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857799 541152542 /nfs/dbraw/zinc/15/25/42/541152542.db2.gz JLIWUZBNYVLSKJ-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2ccnn2C)c1 ZINC000666857724 541153067 /nfs/dbraw/zinc/15/30/67/541153067.db2.gz GWDQYDZNQZZQLP-INIZCTEOSA-N 2 0 298.434 2.627 20 0 CFADRP c1ccc(OCCCCC[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000666857682 541153076 /nfs/dbraw/zinc/15/30/76/541153076.db2.gz FAFULUSJDGWGFE-INIZCTEOSA-N 2 0 276.424 2.967 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858033 541153739 /nfs/dbraw/zinc/15/37/39/541153739.db2.gz UILHMBKVYCPLQZ-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000666743438 541137753 /nfs/dbraw/zinc/13/77/53/541137753.db2.gz IQLFLRFFGZRIHT-CMPLNLGQSA-N 2 0 287.329 2.708 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666952075 541165990 /nfs/dbraw/zinc/16/59/90/541165990.db2.gz FFJSUVXAEZZFTL-ZIAGYGMSSA-N 2 0 250.430 2.935 20 0 CFADRP CC[C@@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666952161 541166091 /nfs/dbraw/zinc/16/60/91/541166091.db2.gz HZYKMLSDBGCROW-HOCLYGCPSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953751 541166246 /nfs/dbraw/zinc/16/62/46/541166246.db2.gz GWTWESXYCHNTSF-DZKIICNBSA-N 2 0 258.409 2.910 20 0 CFADRP Clc1sccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953629 541166445 /nfs/dbraw/zinc/16/64/45/541166445.db2.gz CRBVUTCUTHBLJE-JTQLQIEISA-N 2 0 256.802 2.633 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c2O1 ZINC000666954189 541166636 /nfs/dbraw/zinc/16/66/36/541166636.db2.gz RSHVUXCARQSTQT-OAHLLOKOSA-N 2 0 286.419 2.632 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953894 541166706 /nfs/dbraw/zinc/16/67/06/541166706.db2.gz KLILYUUBQMCIFN-GXTWGEPZSA-N 2 0 264.438 2.801 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955521 541167216 /nfs/dbraw/zinc/16/72/16/541167216.db2.gz VJHNGDHNCHBFDU-HNNXBMFYSA-N 2 0 262.372 2.620 20 0 CFADRP C(c1nc2c(s1)CCC2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000666968929 541168724 /nfs/dbraw/zinc/16/87/24/541168724.db2.gz KPXBFBCPBAZURB-GXTWGEPZSA-N 2 0 291.464 2.596 20 0 CFADRP COc1cccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1F ZINC000666968949 541168755 /nfs/dbraw/zinc/16/87/55/541168755.db2.gz MBCNZTZHZCGVGB-UKRRQHHQSA-N 2 0 292.398 2.798 20 0 CFADRP c1ccc([C@@H]2C[C@@H](N[C@@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]2)cc1 ZINC000666993904 541170733 /nfs/dbraw/zinc/17/07/33/541170733.db2.gz SGGSLDCUWUUNKJ-KSZLIROESA-N 3 0 299.462 2.744 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995772 541171504 /nfs/dbraw/zinc/17/15/04/541171504.db2.gz ZUTBQCRXFOPKRF-GDBMZVCRSA-N 2 0 288.435 2.891 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995773 541171581 /nfs/dbraw/zinc/17/15/81/541171581.db2.gz ZUTBQCRXFOPKRF-GOEBONIOSA-N 2 0 288.435 2.891 20 0 CFADRP Fc1cccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1F ZINC000666998295 541172469 /nfs/dbraw/zinc/17/24/69/541172469.db2.gz MOFDRWDWSYEUEO-GFCCVEGCSA-N 2 0 266.335 2.729 20 0 CFADRP c1cnn(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2)c1 ZINC000666999471 541172800 /nfs/dbraw/zinc/17/28/00/541172800.db2.gz LMKPDMGQGZYGAF-MRXNPFEDSA-N 2 0 296.418 2.637 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000666901594 541158087 /nfs/dbraw/zinc/15/80/87/541158087.db2.gz ZTWOQSGFWSGZBM-MRXNPFEDSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)C[NH+](C)C ZINC000425932190 239139818 /nfs/dbraw/zinc/13/98/18/239139818.db2.gz OZDKDGLMBMVQQN-NEPJUHHUSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@H](CNC1CC[NH+](C2CCCCC2)CC1)C[NH+](C)C ZINC000425945914 239142692 /nfs/dbraw/zinc/14/26/92/239142692.db2.gz MQEKJXDWDIPTJN-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C(C)(C)C ZINC000667042280 541178258 /nfs/dbraw/zinc/17/82/58/541178258.db2.gz SEMMHZQSRLFWQR-KBMXLJTQSA-N 2 0 282.472 2.887 20 0 CFADRP CCCO[C@H]1CCC[N@H+](Cc2cnc(C)n2C)CC1 ZINC000667618036 541268745 /nfs/dbraw/zinc/26/87/45/541268745.db2.gz JGXPGWSHCOVSJA-HNNXBMFYSA-N 2 0 265.401 2.510 20 0 CFADRP c1coc([C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000667618967 541270102 /nfs/dbraw/zinc/27/01/02/541270102.db2.gz ORISEPPXKJLCOW-CQSZACIVSA-N 2 0 294.358 2.850 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667817092 541321446 /nfs/dbraw/zinc/32/14/46/541321446.db2.gz LSWZAMIAMNZPCW-PVAVHDDUSA-N 2 0 288.435 2.905 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667853248 541328498 /nfs/dbraw/zinc/32/84/98/541328498.db2.gz YBJHGSPVMSJKPK-PMPSAXMXSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc1F ZINC000667870128 541331883 /nfs/dbraw/zinc/33/18/83/541331883.db2.gz ONAXTUQMCOQYAH-RDJZCZTQSA-N 2 0 292.398 2.544 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc1F ZINC000667870126 541331951 /nfs/dbraw/zinc/33/19/51/541331951.db2.gz ONAXTUQMCOQYAH-DOTOQJQBSA-N 2 0 292.398 2.544 20 0 CFADRP CC[N@H+](CCC1CC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667988172 541361451 /nfs/dbraw/zinc/36/14/51/541361451.db2.gz BNVSQUCHQVNFAH-UHFFFAOYSA-N 2 0 270.380 2.889 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435377321 240305657 /nfs/dbraw/zinc/30/56/57/240305657.db2.gz AHKRVYBPZQCJAC-DZGCQCFKSA-N 2 0 288.435 2.959 20 0 CFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@H]3C(C)(C)C)C2)CC1 ZINC000672603734 541443638 /nfs/dbraw/zinc/44/36/38/541443638.db2.gz PMNYLVHWDJAMAP-USXIJHARSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1ncsc1C[N@H+](CC1CCC1)C[C@@H]1CC[NH2+]C1 ZINC000435738756 240344610 /nfs/dbraw/zinc/34/46/10/240344610.db2.gz UFUMWJJPJBRKKC-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC2(F)F)[C@@H]2CCC[C@H]21 ZINC000672619463 541444847 /nfs/dbraw/zinc/44/48/47/541444847.db2.gz BNWZTILQMNVPCM-WUHRBBMRSA-N 2 0 258.356 2.637 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442918551 241020868 /nfs/dbraw/zinc/02/08/68/241020868.db2.gz HJPFUKCEIBZJPA-HNNXBMFYSA-N 2 0 298.434 2.946 20 0 CFADRP CCc1c(C)[nH+]c2ccccc2c1NC[C@H](C)[NH+](C)C ZINC000443449630 241062608 /nfs/dbraw/zinc/06/26/08/241062608.db2.gz SWQOHSYIFJYARK-LBPRGKRZSA-N 2 0 271.408 2.890 20 0 CFADRP Clc1cnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000446888646 241336218 /nfs/dbraw/zinc/33/62/18/241336218.db2.gz LETYVBZQAGFXFP-UHFFFAOYSA-N 2 0 285.844 2.761 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000446887942 241336853 /nfs/dbraw/zinc/33/68/53/241336853.db2.gz ANUPZQVDGKECQP-ZBFHGGJFSA-N 2 0 282.497 2.981 20 0 CFADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447600642 241391785 /nfs/dbraw/zinc/39/17/85/241391785.db2.gz MRXWKYQGVYXHHF-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000447600111 241392750 /nfs/dbraw/zinc/39/27/50/241392750.db2.gz LSFPDJPRYBIXNZ-ZWKOTPCHSA-N 2 0 290.451 2.665 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000674046537 541532693 /nfs/dbraw/zinc/53/26/93/541532693.db2.gz UKLXXRBOQDMEEU-HNNXBMFYSA-N 2 0 294.464 2.612 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)COC2 ZINC000423280477 299369317 /nfs/dbraw/zinc/36/93/17/299369317.db2.gz SQRSTSCLCKRZAS-RVSPLBMKSA-N 2 0 274.408 2.885 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449218869 241773132 /nfs/dbraw/zinc/77/31/32/241773132.db2.gz LMIFLDNQWNSFSH-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H](C)O ZINC000449544680 242017594 /nfs/dbraw/zinc/01/75/94/242017594.db2.gz RGHKDIPWMGJXMF-WBVHZDCISA-N 2 0 292.467 2.894 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2F)[C@H](C)C1 ZINC000449550551 242020120 /nfs/dbraw/zinc/02/01/20/242020120.db2.gz BSKUXFRGHDPJHO-PBHICJAKSA-N 2 0 278.415 2.997 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2F)[C@H](C)C1 ZINC000449550562 242022131 /nfs/dbraw/zinc/02/21/31/242022131.db2.gz BSKUXFRGHDPJHO-RHSMWYFYSA-N 2 0 278.415 2.997 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000449555287 242028365 /nfs/dbraw/zinc/02/83/65/242028365.db2.gz QSUIPGBJUPAUIN-GUYCJALGSA-N 2 0 276.399 2.749 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000449680439 242105242 /nfs/dbraw/zinc/10/52/42/242105242.db2.gz GUPSSZWQYHHCJX-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[NH+](C/C=C\C[N@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000674493469 541570112 /nfs/dbraw/zinc/57/01/12/541570112.db2.gz IKPMNEWXIPDREK-CRNKYXIYSA-N 2 0 250.430 2.718 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000449749097 242134243 /nfs/dbraw/zinc/13/42/43/242134243.db2.gz DRQWDEQQTOYGAR-GASCZTMLSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCC[NH2+]C1 ZINC000423346073 291390670 /nfs/dbraw/zinc/39/06/70/291390670.db2.gz PMHPVDSFTPBEHK-TWMKSMIVSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)(C)OCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000674906508 541604737 /nfs/dbraw/zinc/60/47/37/541604737.db2.gz GIVFPMSKKLLUCK-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CCc1cc(NC[C@@H](c2ccccc2OC)[NH+](C)C)cc[nH+]1 ZINC000450217040 242311327 /nfs/dbraw/zinc/31/13/27/242311327.db2.gz SCBPFUHOQGGSHD-KRWDZBQOSA-N 2 0 299.418 2.789 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC000450388287 242391171 /nfs/dbraw/zinc/39/11/71/242391171.db2.gz ISHIJCWQMIWAGY-SFHVURJKSA-N 2 0 291.483 2.589 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000451004954 242703476 /nfs/dbraw/zinc/70/34/76/242703476.db2.gz QYMMARDEUZJOSV-FGTMMUONSA-N 2 0 293.499 2.808 20 0 CFADRP COC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000452073476 243033841 /nfs/dbraw/zinc/03/38/41/243033841.db2.gz BBMGRFCGMLLJJW-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000423334827 296120381 /nfs/dbraw/zinc/12/03/81/296120381.db2.gz GADSAVBOERTNFR-CQSZACIVSA-N 2 0 258.409 2.862 20 0 CFADRP C(C1CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675639663 541674929 /nfs/dbraw/zinc/67/49/29/541674929.db2.gz BDKKLKSPWMBJNN-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccccc1Cl ZINC000675645460 541675794 /nfs/dbraw/zinc/67/57/94/541675794.db2.gz NESJOHKFPHOQPI-NILFDRSVSA-N 2 0 282.815 2.567 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1nccc2ccccc21 ZINC000423390340 299388378 /nfs/dbraw/zinc/38/83/78/299388378.db2.gz KBCKSDPFHJJBPH-DVOMOZLQSA-N 2 0 269.392 2.883 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2nc3ccccc3s2)CC[N@@H+]1C ZINC000675732704 541685907 /nfs/dbraw/zinc/68/59/07/541685907.db2.gz DVTHPCPXYWUOJN-CHWSQXEVSA-N 2 0 289.448 2.911 20 0 CFADRP C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)C1CC[NH+](C)CC1 ZINC000675737058 541685958 /nfs/dbraw/zinc/68/59/58/541685958.db2.gz XFFFGSNUGRAAAW-BBRMVZONSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncn1 ZINC000453060819 296122311 /nfs/dbraw/zinc/12/23/11/296122311.db2.gz ONEBBAXDKJHKFF-BZUAXINKSA-N 2 0 290.455 2.885 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000675741306 541686689 /nfs/dbraw/zinc/68/66/89/541686689.db2.gz BUEAQNPTCPBRJJ-AWEZNQCLSA-N 2 0 293.455 2.519 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675750166 541688104 /nfs/dbraw/zinc/68/81/04/541688104.db2.gz SGNUZWWXEHMDDR-DLBZAZTESA-N 3 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000675762553 541689794 /nfs/dbraw/zinc/68/97/94/541689794.db2.gz UBEXLVUSRRPHNR-INMHGKMJSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccccc1F)C1CC[NH+](C)CC1 ZINC000675728224 541685534 /nfs/dbraw/zinc/68/55/34/541685534.db2.gz PSFHUAGNQHKZPP-CYBMUJFWSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000675783538 541694055 /nfs/dbraw/zinc/69/40/55/541694055.db2.gz JWVMSJMKFWSFLH-NVXWUHKLSA-N 2 0 287.451 2.512 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCC1 ZINC000453059751 243379923 /nfs/dbraw/zinc/37/99/23/243379923.db2.gz NDLCKIRDNBJNMR-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccncc1 ZINC000453058444 243380617 /nfs/dbraw/zinc/38/06/17/243380617.db2.gz JKFIPHOQITVJFH-HOCLYGCPSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccncn1 ZINC000453069934 243387678 /nfs/dbraw/zinc/38/76/78/243387678.db2.gz ZLDMVTQUNHHVQI-OAHLLOKOSA-N 2 0 276.428 2.639 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000453069202 243387970 /nfs/dbraw/zinc/38/79/70/243387970.db2.gz YVLJNJFJTPOVQE-HOTGVXAUSA-N 2 0 290.455 2.652 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453079115 243391252 /nfs/dbraw/zinc/39/12/52/243391252.db2.gz CTDBBFBTPXEXQS-LSDHHAIUSA-N 2 0 263.429 2.723 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)c2ccncc2)CC1 ZINC000675926862 541710057 /nfs/dbraw/zinc/71/00/57/541710057.db2.gz HVGUBUBPAHOHIX-AWEZNQCLSA-N 2 0 261.413 2.649 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@@H](C)C1 ZINC000675928951 541710156 /nfs/dbraw/zinc/71/01/56/541710156.db2.gz WPWYLHGZDQIRPJ-YCPHGPKFSA-N 2 0 261.413 2.505 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000675929141 541710670 /nfs/dbraw/zinc/71/06/70/541710670.db2.gz ZJZJQKDYADJGNO-UONOGXRCSA-N 2 0 261.413 2.505 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1C ZINC000161760699 541766188 /nfs/dbraw/zinc/76/61/88/541766188.db2.gz WIIXLFYRQDBDHB-HNNXBMFYSA-N 2 0 290.451 2.866 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1(c2ccccc2)CCCC1 ZINC000423432609 299404059 /nfs/dbraw/zinc/40/40/59/299404059.db2.gz MMVLBJIUUISLEX-QMCVQRASSA-N 2 0 270.420 2.694 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000459369245 245158966 /nfs/dbraw/zinc/15/89/66/245158966.db2.gz GDYJMHNAQLXUSR-KBPBESRZSA-N 2 0 279.428 2.831 20 0 CFADRP CC(C)CSCCC[NH2+]C1CCN(C2CC2)CC1 ZINC000459466478 245188841 /nfs/dbraw/zinc/18/88/41/245188841.db2.gz YIGCHNLQTOOKAS-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1N(C)C ZINC000423385553 296164317 /nfs/dbraw/zinc/16/43/17/296164317.db2.gz RAKCYBOBTIUJPN-MCIONIFRSA-N 2 0 261.413 2.544 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000459636197 245252924 /nfs/dbraw/zinc/25/29/24/245252924.db2.gz JTWRQTHGWSDLBZ-NVXWUHKLSA-N 2 0 275.440 2.867 20 0 CFADRP COc1ccsc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459730048 245287906 /nfs/dbraw/zinc/28/79/06/245287906.db2.gz JSRNTLLHASOVFB-GFCCVEGCSA-N 2 0 268.426 2.578 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677237425 541837413 /nfs/dbraw/zinc/83/74/13/541837413.db2.gz HFPFKCUQLQSMNP-DLBZAZTESA-N 2 0 288.435 2.899 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000459783461 245325613 /nfs/dbraw/zinc/32/56/13/245325613.db2.gz NGSCEAWQDXDBGW-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP Cc1ccc(CCC[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459793130 245329628 /nfs/dbraw/zinc/32/96/28/245329628.db2.gz SVNZUDPIWKUCCU-KRWDZBQOSA-N 2 0 275.440 2.644 20 0 CFADRP Cc1noc(C2CCC([NH2+]CC3([NH3+])CCCCC3)CC2)n1 ZINC000332275074 204568353 /nfs/dbraw/zinc/56/83/53/204568353.db2.gz GEWMTIHFKQHOQJ-UHFFFAOYSA-N 2 0 292.427 2.655 20 0 CFADRP CC[NH+](CC)CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000019919189 372210459 /nfs/dbraw/zinc/21/04/59/372210459.db2.gz DRRZBYIAOUMLTF-UHFFFAOYSA-N 2 0 289.467 2.582 20 0 CFADRP COc1ccc2cc(C[NH2+]CCC[NH+](C)C)ccc2c1 ZINC000019958104 372214359 /nfs/dbraw/zinc/21/43/59/372214359.db2.gz DAWQHQUIFLYFRZ-UHFFFAOYSA-N 2 0 272.392 2.890 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCN(C)c2ccccc2)CC1 ZINC000019906505 372205910 /nfs/dbraw/zinc/20/59/10/372205910.db2.gz NBKRTOXOAAHTRL-UHFFFAOYSA-N 2 0 289.467 2.975 20 0 CFADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C)CC1)c1ccccc1 ZINC000019905946 372206547 /nfs/dbraw/zinc/20/65/47/372206547.db2.gz FOBCAKXAQPGXMR-SFHVURJKSA-N 2 0 289.467 2.753 20 0 CFADRP CC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000034663845 372512206 /nfs/dbraw/zinc/51/22/06/372512206.db2.gz UIGIAEPVOXQNMS-CYBMUJFWSA-N 2 0 279.403 2.638 20 0 CFADRP CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000034663844 372512627 /nfs/dbraw/zinc/51/26/27/372512627.db2.gz UIGIAEPVOXQNMS-ZDUSSCGKSA-N 2 0 279.403 2.638 20 0 CFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C(C)C)cc1OC ZINC000034817078 372514731 /nfs/dbraw/zinc/51/47/31/372514731.db2.gz XHOQASINMWFKSR-UHFFFAOYSA-N 2 0 294.439 2.914 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC000036908073 372610242 /nfs/dbraw/zinc/61/02/42/372610242.db2.gz JKIPOBZOZQLTEH-BFYDXBDKSA-N 2 0 260.425 2.938 20 0 CFADRP COc1ccc(Cl)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000036867497 372604129 /nfs/dbraw/zinc/60/41/29/372604129.db2.gz QMVHJTPGGHVVDL-UHFFFAOYSA-N 2 0 268.788 2.519 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000037644177 372680728 /nfs/dbraw/zinc/68/07/28/372680728.db2.gz OMNHRMYDFXMJDZ-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649296 372685516 /nfs/dbraw/zinc/68/55/16/372685516.db2.gz DPWSGHMEOMACHW-VXGBXAGGSA-N 2 0 250.411 2.883 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000038010696 372762577 /nfs/dbraw/zinc/76/25/77/372762577.db2.gz KTWRUDZYUSYQOE-CKEIUWERSA-N 2 0 276.424 2.651 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000041665356 372857097 /nfs/dbraw/zinc/85/70/97/372857097.db2.gz AQZCKSBGPXCEDA-DZGCQCFKSA-N 2 0 262.397 2.612 20 0 CFADRP C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000042440146 372924033 /nfs/dbraw/zinc/92/40/33/372924033.db2.gz ZPOFOVCMXFNTNL-ZDUSSCGKSA-N 2 0 297.240 2.881 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000042337816 372908988 /nfs/dbraw/zinc/90/89/88/372908988.db2.gz MATNMDSTGXMARI-MRXNPFEDSA-N 2 0 296.842 2.837 20 0 CFADRP [NH3+]C1(c2noc(-c3ccc4c[nH+]cn4c3)n2)CCCCC1 ZINC000333368556 205260874 /nfs/dbraw/zinc/26/08/74/205260874.db2.gz FDLBMGYHNYAXGY-UHFFFAOYSA-N 2 0 283.335 2.502 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044533065 373005052 /nfs/dbraw/zinc/00/50/52/373005052.db2.gz QLTNVLSHGXWZAN-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000044532837 373005601 /nfs/dbraw/zinc/00/56/01/373005601.db2.gz HXRZGJUTYPZRTC-GFCCVEGCSA-N 2 0 290.436 2.570 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000045663327 373027415 /nfs/dbraw/zinc/02/74/15/373027415.db2.gz IOCCECQHUQFUBD-AWEZNQCLSA-N 2 0 264.413 2.996 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045663554 373027514 /nfs/dbraw/zinc/02/75/14/373027514.db2.gz KVMWHJRAWLJDCG-CYBMUJFWSA-N 2 0 250.386 2.688 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cccc2cccnc21 ZINC000045598273 373022924 /nfs/dbraw/zinc/02/29/24/373022924.db2.gz MHIAMOVPCRXAIU-UHFFFAOYSA-N 2 0 257.381 2.666 20 0 CFADRP C[C@@H](C[NH2+]C/C=C\c1ccncc1)C[NH+]1CCCCC1 ZINC000486927153 245704802 /nfs/dbraw/zinc/70/48/02/245704802.db2.gz KQJPNCUURCASCF-KJPDOMRESA-N 2 0 273.424 2.806 20 0 CFADRP Cc1cccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000051918870 373417455 /nfs/dbraw/zinc/41/74/55/373417455.db2.gz UNPIYIAQILZRRH-QGZVFWFLSA-N 2 0 287.451 2.507 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000051919576 373417901 /nfs/dbraw/zinc/41/79/01/373417901.db2.gz FBHSDGPWATVZCB-CYBMUJFWSA-N 2 0 250.361 2.647 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958723 373420630 /nfs/dbraw/zinc/42/06/30/373420630.db2.gz LQIUZXZHPDIUHN-UHFFFAOYSA-N 2 0 288.435 2.539 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000057994260 373621085 /nfs/dbraw/zinc/62/10/85/373621085.db2.gz WFRYKLFKWJVDFX-GFCCVEGCSA-N 2 0 252.427 2.878 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252881969 220229781 /nfs/dbraw/zinc/22/97/81/220229781.db2.gz ZATFFHDWGNYKND-ULQDDVLXSA-N 2 0 288.435 2.741 20 0 CFADRP CC(C)[N@H+](Cc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000062911791 373772760 /nfs/dbraw/zinc/77/27/60/373772760.db2.gz RBTKEYITWDCPFX-CQSZACIVSA-N 2 0 252.427 2.958 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000061626946 373724181 /nfs/dbraw/zinc/72/41/81/373724181.db2.gz DNZSDIBBCLJODV-MFKMUULPSA-N 2 0 272.314 2.875 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000063165774 373788533 /nfs/dbraw/zinc/78/85/33/373788533.db2.gz UCGBALZJMNUDHC-UHFFFAOYSA-N 2 0 287.382 2.805 20 0 CFADRP COc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197684 373795056 /nfs/dbraw/zinc/79/50/56/373795056.db2.gz VAUQRPQVPPTRSV-INIZCTEOSA-N 2 0 274.408 2.659 20 0 CFADRP [NH2+]=C(NCCC[NH+]1CCCCCC1)Nc1ccccc1 ZINC000066242287 373921224 /nfs/dbraw/zinc/92/12/24/373921224.db2.gz AJVBJAIVEXVTMY-UHFFFAOYSA-N 2 0 274.412 2.889 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1F ZINC000070148436 374127306 /nfs/dbraw/zinc/12/73/06/374127306.db2.gz WCQPAUJGVGNHJS-AWEZNQCLSA-N 2 0 250.361 2.837 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000070169639 374135588 /nfs/dbraw/zinc/13/55/88/374135588.db2.gz HKMBHBDFDNEYCZ-LBPRGKRZSA-N 2 0 252.789 2.901 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000070169666 374136202 /nfs/dbraw/zinc/13/62/02/374136202.db2.gz GAEMAIYNCOXNCP-SNVBAGLBSA-N 2 0 272.314 2.665 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000070171649 374137493 /nfs/dbraw/zinc/13/74/93/374137493.db2.gz JAJHPJAKHBSHFU-JSGCOSHPSA-N 2 0 264.438 2.968 20 0 CFADRP CCOc1cccc(C[NH+]2CCC(CC[NH2+]C)CC2)c1 ZINC000070189002 374144109 /nfs/dbraw/zinc/14/41/09/374144109.db2.gz PZUWBUGUBAZTDI-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000070600404 374199669 /nfs/dbraw/zinc/19/96/69/374199669.db2.gz XYPVBFAFLCBBQZ-LBPRGKRZSA-N 2 0 258.818 2.881 20 0 CFADRP C[C@H](C1CC1)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678144583 541961486 /nfs/dbraw/zinc/96/14/86/541961486.db2.gz NCTAGGFDHMXRFN-CQSZACIVSA-N 2 0 276.424 2.857 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C12CCCC2 ZINC000085680762 374805034 /nfs/dbraw/zinc/80/50/34/374805034.db2.gz WWIUKFIHUKPBCR-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C12CCCCC2 ZINC000087294732 374811866 /nfs/dbraw/zinc/81/18/66/374811866.db2.gz QCVUXCWYQMVDKJ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000089140593 374873302 /nfs/dbraw/zinc/87/33/02/374873302.db2.gz WQAGBIHXNLRICK-GOEBONIOSA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089147767 374875774 /nfs/dbraw/zinc/87/57/74/374875774.db2.gz RHRASXMNFDOJQH-JQWIXIFHSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089147766 374875844 /nfs/dbraw/zinc/87/58/44/374875844.db2.gz RHRASXMNFDOJQH-CMPLNLGQSA-N 2 0 270.323 2.505 20 0 CFADRP FC(F)(F)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000088421596 374845693 /nfs/dbraw/zinc/84/56/93/374845693.db2.gz NMBFGKDEYIMXEY-GFCCVEGCSA-N 2 0 264.335 2.650 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000090015139 374986434 /nfs/dbraw/zinc/98/64/34/374986434.db2.gz MJPAUNIWHHGKCD-UXLLHSPISA-N 2 0 260.425 2.856 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000090015132 374986529 /nfs/dbraw/zinc/98/65/29/374986529.db2.gz MJPAUNIWHHGKCD-YQQAZPJKSA-N 2 0 260.425 2.856 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000090339675 375007801 /nfs/dbraw/zinc/00/78/01/375007801.db2.gz SIHKYRHXCVXWMW-OHRKKDJYSA-N 2 0 274.408 2.971 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000090339907 375008052 /nfs/dbraw/zinc/00/80/52/375008052.db2.gz XTYWLSFMMDFSKD-BJJXKVORSA-N 2 0 262.397 2.863 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccsc2)CC1 ZINC000092381343 375105823 /nfs/dbraw/zinc/10/58/23/375105823.db2.gz JCIQHWKDFVGFBE-UHFFFAOYSA-N 2 0 252.427 2.912 20 0 CFADRP CC[C@H](C)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000093077158 375183442 /nfs/dbraw/zinc/18/34/42/375183442.db2.gz WJKULXYDKZBKOZ-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+](C)C)CC2 ZINC000092837062 375164375 /nfs/dbraw/zinc/16/43/75/375164375.db2.gz QGQRXZMMODLODJ-MRXNPFEDSA-N 2 0 262.397 2.614 20 0 CFADRP CCOc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088572 375185434 /nfs/dbraw/zinc/18/54/34/375185434.db2.gz WLMWEYMVETVUTL-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000093489793 375254556 /nfs/dbraw/zinc/25/45/56/375254556.db2.gz HODUWODJPQXYFB-IXDOHACOSA-N 2 0 273.424 2.525 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1nccs1 ZINC000093402762 375227279 /nfs/dbraw/zinc/22/72/79/375227279.db2.gz ZHCAMBSOVYOJHV-IHRRRGAJSA-N 2 0 297.468 2.683 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccco2)CC1 ZINC000093769384 375307121 /nfs/dbraw/zinc/30/71/21/375307121.db2.gz QABRDXSHGZNAIY-UHFFFAOYSA-N 2 0 294.439 2.850 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+](C)C1CCCC1 ZINC000093516480 375263767 /nfs/dbraw/zinc/26/37/67/375263767.db2.gz NFDMWWBZVBCKSE-CVEARBPZSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+](C)C1CCCC1 ZINC000093516481 375263902 /nfs/dbraw/zinc/26/39/02/375263902.db2.gz NFDMWWBZVBCKSE-JKSUJKDBSA-N 2 0 281.488 2.761 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000094950006 375396549 /nfs/dbraw/zinc/39/65/49/375396549.db2.gz JIVHNHKMIOTLEG-GOEBONIOSA-N 2 0 264.388 2.784 20 0 CFADRP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)c(F)c1 ZINC000094021672 375335972 /nfs/dbraw/zinc/33/59/72/375335972.db2.gz DPBRDALNKJPTPH-UHFFFAOYSA-N 2 0 280.362 2.929 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000094070415 375338049 /nfs/dbraw/zinc/33/80/49/375338049.db2.gz HZUJHHRVCFYUHC-UHFFFAOYSA-N 2 0 282.815 2.670 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094070048 375338069 /nfs/dbraw/zinc/33/80/69/375338069.db2.gz PDUPHPUMUBDIOR-HUUCEWRRSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070212 375338081 /nfs/dbraw/zinc/33/80/81/375338081.db2.gz LBGXYWXFUKVEAX-ZDUSSCGKSA-N 2 0 280.387 2.717 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070535 375338093 /nfs/dbraw/zinc/33/80/93/375338093.db2.gz YUMWVEHPDWTAJR-KRWDZBQOSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070345 375338154 /nfs/dbraw/zinc/33/81/54/375338154.db2.gz MXFCLYCFMDBSQS-LBPRGKRZSA-N 2 0 298.377 2.856 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CCSc2ccccc2)CC1 ZINC000094072508 375339744 /nfs/dbraw/zinc/33/97/44/375339744.db2.gz IDBUQOQRDOMMOA-UHFFFAOYSA-N 2 0 294.464 2.609 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000097850697 375586040 /nfs/dbraw/zinc/58/60/40/375586040.db2.gz BTYMCCHBVPFBEX-CYBMUJFWSA-N 2 0 250.361 2.695 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)C1 ZINC000498354865 247079829 /nfs/dbraw/zinc/07/98/29/247079829.db2.gz RJMCRDHWQJERLB-TZMCWYRMSA-N 2 0 295.496 2.913 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513754176 247224571 /nfs/dbraw/zinc/22/45/71/247224571.db2.gz IQQHHQIWFBXSNR-KZNAEPCWSA-N 2 0 272.436 3.000 20 0 CFADRP CCC1(O)CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000678547488 542040338 /nfs/dbraw/zinc/04/03/38/542040338.db2.gz GKEFFRBZLBBUDU-UHFFFAOYSA-N 2 0 282.472 2.923 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000678597454 542048332 /nfs/dbraw/zinc/04/83/32/542048332.db2.gz HHFNKRIEGYLCPW-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)COC2)C1CC[NH+](C)CC1 ZINC000678599410 542049469 /nfs/dbraw/zinc/04/94/69/542049469.db2.gz BUQVLQVFUCKODT-ZDUSSCGKSA-N 2 0 274.408 2.537 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678600327 542049891 /nfs/dbraw/zinc/04/98/91/542049891.db2.gz KRJWVVYNOCUYQM-CVEARBPZSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000678609848 542054091 /nfs/dbraw/zinc/05/40/91/542054091.db2.gz YWWNKIBVYRZUEK-BPUTZDHNSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+]C1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000678609212 542054113 /nfs/dbraw/zinc/05/41/13/542054113.db2.gz ISNMASCKMXAPEC-NSHDSACASA-N 2 0 260.372 2.884 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000104322893 375778369 /nfs/dbraw/zinc/77/83/69/375778369.db2.gz CHEYDROKUYLXBR-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000111695840 375863368 /nfs/dbraw/zinc/86/33/68/375863368.db2.gz BCIFAGVYPMOUMN-XJKSGUPXSA-N 2 0 269.392 2.794 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000111380846 375842122 /nfs/dbraw/zinc/84/21/22/375842122.db2.gz ZHYYEWIWJFXUGY-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000678766296 542066373 /nfs/dbraw/zinc/06/63/73/542066373.db2.gz OMWNRVBXPCMAOB-MAUKXSAKSA-N 2 0 290.451 2.868 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOC2CCCCC2)CC1 ZINC000111636468 375860767 /nfs/dbraw/zinc/86/07/67/375860767.db2.gz NASWCQZSWZRBOO-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000112341353 375907251 /nfs/dbraw/zinc/90/72/51/375907251.db2.gz LZDVFCPCIRPQEF-HUUCEWRRSA-N 2 0 269.392 2.884 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000678774168 542068024 /nfs/dbraw/zinc/06/80/24/542068024.db2.gz FNDJAHWVCQRQFN-JKSUJKDBSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000113516276 376023142 /nfs/dbraw/zinc/02/31/42/376023142.db2.gz DJHZBYJYLOUMEM-CQSZACIVSA-N 2 0 296.842 2.992 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000116385617 376184632 /nfs/dbraw/zinc/18/46/32/376184632.db2.gz CGPZIYCTSBUDQG-SJORKVTESA-N 2 0 260.425 2.939 20 0 CFADRP CCc1noc(C)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000119428521 376412066 /nfs/dbraw/zinc/41/20/66/376412066.db2.gz FVFUZYGYCNSCJM-OAHLLOKOSA-N 2 0 291.439 2.853 20 0 CFADRP CSCCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000119979049 376518747 /nfs/dbraw/zinc/51/87/47/376518747.db2.gz ABWCTHBHZGJLOJ-OLZOCXBDSA-N 2 0 253.415 2.519 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3nc4c(s3)CCC4)CC[C@H]21 ZINC000678842003 542082720 /nfs/dbraw/zinc/08/27/20/542082720.db2.gz CQNOHNQUBHCBHD-GXTWGEPZSA-N 2 0 291.464 2.548 20 0 CFADRP CCCc1csc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000459792525 535449861 /nfs/dbraw/zinc/44/98/61/535449861.db2.gz SFMIRQSPCUOLDH-ZDUSSCGKSA-N 2 0 281.469 2.917 20 0 CFADRP COc1cccc(CCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000121033145 376750569 /nfs/dbraw/zinc/75/05/69/376750569.db2.gz JSRDUGKTZYHUOR-QGZVFWFLSA-N 2 0 290.451 2.901 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000121069051 376754292 /nfs/dbraw/zinc/75/42/92/376754292.db2.gz VPRSRAOSKDJCNS-IRXDYDNUSA-N 2 0 289.467 2.529 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000420314976 284592701 /nfs/dbraw/zinc/59/27/01/284592701.db2.gz RHNTZMKSTGZBBG-KRWDZBQOSA-N 2 0 293.430 2.504 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1cccc(CO)c1)C[NH+]1CCCC1 ZINC000121323620 376806143 /nfs/dbraw/zinc/80/61/43/376806143.db2.gz JWKSGTXXBXRKHR-HUUCEWRRSA-N 2 0 276.424 2.561 20 0 CFADRP CCC[NH+]1CCC(CNC(=O)Nc2ccncc2C)CC1 ZINC000121422572 376827105 /nfs/dbraw/zinc/82/71/05/376827105.db2.gz PUESSNUBQHDQOJ-UHFFFAOYSA-N 2 0 290.411 2.634 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000121838450 376917670 /nfs/dbraw/zinc/91/76/70/376917670.db2.gz NWVUNAPKQOCZCU-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122146528 376922180 /nfs/dbraw/zinc/92/21/80/376922180.db2.gz CRFODZZPSDVNHO-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037051565 284606911 /nfs/dbraw/zinc/60/69/11/284606911.db2.gz GXFFYIIJTFFZSP-GDBMZVCRSA-N 2 0 292.471 2.898 20 0 CFADRP [NH3+]C[C@H]1CCCN1Cc1ccc(Cl)c2cccnc12 ZINC000123250152 376952046 /nfs/dbraw/zinc/95/20/46/376952046.db2.gz PXSZXVUHBHZYMV-GFCCVEGCSA-N 2 0 275.783 2.811 20 0 CFADRP Cn1ccnc1C[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000123563373 376956318 /nfs/dbraw/zinc/95/63/18/376956318.db2.gz SWXIYPYZZOXHAM-OAHLLOKOSA-N 2 0 261.413 2.865 20 0 CFADRP C[NH2+]CCCN(C)[C@@H](C)c1nc2ccccc2s1 ZINC000124774644 377088353 /nfs/dbraw/zinc/08/83/53/377088353.db2.gz ZGNCTLKKQKFCOG-NSHDSACASA-N 2 0 263.410 2.899 20 0 CFADRP CCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124808296 377090747 /nfs/dbraw/zinc/09/07/47/377090747.db2.gz WSJWBENXCVAABK-OAHLLOKOSA-N 2 0 290.407 2.722 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000126127465 377213444 /nfs/dbraw/zinc/21/34/44/377213444.db2.gz MBXSALGOPTZSBK-OWCLPIDISA-N 2 0 276.424 2.835 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000126420537 377226178 /nfs/dbraw/zinc/22/61/78/377226178.db2.gz OIJMBOYRKDKTEB-YOEHRIQHSA-N 2 0 292.471 2.790 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000126015008 377206627 /nfs/dbraw/zinc/20/66/27/377206627.db2.gz ODRHPBNNKOVWFM-GDBMZVCRSA-N 2 0 292.471 2.754 20 0 CFADRP c1cn(-c2ccccc2)nc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128108828 377317242 /nfs/dbraw/zinc/31/72/42/377317242.db2.gz OXUDWAJSARXZOX-CRAIPNDOSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)CC[N@@H+]1C ZINC000128133217 377319132 /nfs/dbraw/zinc/31/91/32/377319132.db2.gz SJEDRWCFXDMOSX-KGLIPLIRSA-N 2 0 276.428 2.571 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000128236788 377324229 /nfs/dbraw/zinc/32/42/29/377324229.db2.gz BIOOATNRDDSKJY-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000127662678 377295067 /nfs/dbraw/zinc/29/50/67/377295067.db2.gz QLZRUOSQGBZPRY-MRXNPFEDSA-N 2 0 290.455 2.583 20 0 CFADRP c1ccc2c(c1)CCN2CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127791768 377301495 /nfs/dbraw/zinc/30/14/95/377301495.db2.gz OOBFRBZCDFUESX-ZWKOTPCHSA-N 2 0 299.462 2.656 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000128984330 377367575 /nfs/dbraw/zinc/36/75/75/377367575.db2.gz AELHNESJJWSBQG-RBSFLKMASA-N 2 0 292.423 2.535 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCN(C)c2ccccc2F)CC[N@@H+]1C ZINC000129086824 377382293 /nfs/dbraw/zinc/38/22/93/377382293.db2.gz MAZBRDKXQRCLMX-CABCVRRESA-N 2 0 293.430 2.724 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000128764071 377355392 /nfs/dbraw/zinc/35/53/92/377355392.db2.gz NGLLPVYKOIKOGN-KGLIPLIRSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000129527100 377439292 /nfs/dbraw/zinc/43/92/92/377439292.db2.gz FAUZPVQRIQCHMR-SWLSCSKDSA-N 2 0 266.816 2.955 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000129317067 377412182 /nfs/dbraw/zinc/41/21/82/377412182.db2.gz PWNNJDMZRPCKAC-TZMCWYRMSA-N 2 0 250.361 2.927 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)CCCCO)CC1 ZINC000679345635 542174832 /nfs/dbraw/zinc/17/48/32/542174832.db2.gz PDKZAAQLVUDMSC-MRXNPFEDSA-N 2 0 284.488 2.885 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1F ZINC000679360535 542179447 /nfs/dbraw/zinc/17/94/47/542179447.db2.gz VDNKRLDMBNEWRB-WMLDXEAASA-N 2 0 294.414 2.807 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000679395720 542187470 /nfs/dbraw/zinc/18/74/70/542187470.db2.gz WVUWKOVXIVWQDW-UHFFFAOYSA-N 2 0 262.397 2.604 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000340464696 284654434 /nfs/dbraw/zinc/65/44/34/284654434.db2.gz SETRRNQVYFMHJS-HNNXBMFYSA-N 2 0 270.461 2.902 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000130589869 377579739 /nfs/dbraw/zinc/57/97/39/377579739.db2.gz XVVXKPYRMHFDNI-RDJZCZTQSA-N 2 0 285.435 2.571 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCN(C)C2)ccc1Cl ZINC000679477353 542195597 /nfs/dbraw/zinc/19/55/97/542195597.db2.gz QZPHCJIKZRKRET-CYBMUJFWSA-N 2 0 252.789 2.832 20 0 CFADRP c1csc(C[NH+]2CCC(C[NH2+]C3CSC3)CC2)c1 ZINC000679626070 542215724 /nfs/dbraw/zinc/21/57/24/542215724.db2.gz QAEIVXGYUWAIIM-UHFFFAOYSA-N 2 0 282.478 2.665 20 0 CFADRP CC[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(F)cn1 ZINC000131208508 377675630 /nfs/dbraw/zinc/67/56/30/377675630.db2.gz IXJJPNWDIXAEPJ-ZDUSSCGKSA-N 2 0 267.392 2.849 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000131915383 377777422 /nfs/dbraw/zinc/77/74/22/377777422.db2.gz MZSQSQWILNPUPN-YCPHGPKFSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CCn1ccnc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000131925316 377779206 /nfs/dbraw/zinc/77/92/06/377779206.db2.gz BWHALHDHQHYMKD-SFHVURJKSA-N 2 0 292.386 3.000 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000131723300 377752164 /nfs/dbraw/zinc/75/21/64/377752164.db2.gz RAMYGBAHPNFOFJ-CABCVRRESA-N 2 0 284.403 2.888 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132250714 377818818 /nfs/dbraw/zinc/81/88/18/377818818.db2.gz YEZVVRUMUSHKJQ-DGCLKSJQSA-N 2 0 250.411 2.715 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000132006154 377790262 /nfs/dbraw/zinc/79/02/62/377790262.db2.gz RIZLOONUJWKKNW-RYUDHWBXSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132051606 377796665 /nfs/dbraw/zinc/79/66/65/377796665.db2.gz NGCYPVLYYRANHZ-INMHGKMJSA-N 2 0 275.440 2.807 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529534245 383723310 /nfs/dbraw/zinc/72/33/10/383723310.db2.gz UDJRQOOWXPZJCO-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccccc32)CCN1C ZINC000133472249 377932981 /nfs/dbraw/zinc/93/29/81/377932981.db2.gz WMZAAJIIADWXSD-IIAWOOMASA-N 2 0 274.408 2.973 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000134411392 378011931 /nfs/dbraw/zinc/01/19/31/378011931.db2.gz ULGUIWMSCYNCAD-FZMZJTMJSA-N 2 0 297.240 2.879 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133997220 377973366 /nfs/dbraw/zinc/97/33/66/377973366.db2.gz NTJHFDBVADMYQU-FGTMMUONSA-N 2 0 293.499 2.594 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000148060410 378254681 /nfs/dbraw/zinc/25/46/81/378254681.db2.gz LXUQSGDHSNALKL-KRWDZBQOSA-N 2 0 260.425 2.939 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000148202274 378256357 /nfs/dbraw/zinc/25/63/57/378256357.db2.gz GFEPKGKNNBDZHB-NOLJZWGESA-N 2 0 262.397 2.863 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)CN1Cc1ccccc1 ZINC000151319494 378316529 /nfs/dbraw/zinc/31/65/29/378316529.db2.gz SDDPEABETLCILJ-WBVHZDCISA-N 2 0 283.419 2.778 20 0 CFADRP CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000151828493 378362902 /nfs/dbraw/zinc/36/29/02/378362902.db2.gz RTKPTNJTHZEEBJ-DOMZBBRYSA-N 2 0 273.380 2.602 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCF)CC2)C[C@H](C)O1 ZINC000151525651 378334952 /nfs/dbraw/zinc/33/49/52/378334952.db2.gz MFUBUGHFZTUONI-GASCZTMLSA-N 2 0 286.435 2.557 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC000151553362 378336297 /nfs/dbraw/zinc/33/62/97/378336297.db2.gz RHOGHDZFXJZWFC-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2nc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000151663031 378345585 /nfs/dbraw/zinc/34/55/85/378345585.db2.gz QVQRNBPUSKIMJM-WCQYABFASA-N 2 0 291.370 2.881 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2nc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000151663107 378346034 /nfs/dbraw/zinc/34/60/34/378346034.db2.gz QVQRNBPUSKIMJM-YPMHNXCESA-N 2 0 291.370 2.881 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152455956 378418884 /nfs/dbraw/zinc/41/88/84/378418884.db2.gz CFZGISFRHLJSJD-OCCSQVGLSA-N 2 0 291.464 2.903 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152499591 378421645 /nfs/dbraw/zinc/42/16/45/378421645.db2.gz KWUZVPSSKSJEEA-ULQDDVLXSA-N 2 0 287.451 2.585 20 0 CFADRP C[N@H+](CCCCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000154181635 378545900 /nfs/dbraw/zinc/54/59/00/378545900.db2.gz NCBNOLCUMGQLGA-GFCCVEGCSA-N 2 0 266.351 2.993 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000155086616 378612179 /nfs/dbraw/zinc/61/21/79/378612179.db2.gz COYBABKXUQKGJJ-ZIAGYGMSSA-N 2 0 295.858 2.627 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000332342954 378750830 /nfs/dbraw/zinc/75/08/30/378750830.db2.gz XMIRRZKAVUUFFU-DVOMOZLQSA-N 2 0 260.381 2.629 20 0 CFADRP Cc1nc(F)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000278496775 194011936 /nfs/dbraw/zinc/01/19/36/194011936.db2.gz UWXNMTVHXBAILH-UHFFFAOYSA-N 2 0 279.403 2.693 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000161589279 378858164 /nfs/dbraw/zinc/85/81/64/378858164.db2.gz CHOWPEFOQVIISB-ZDUSSCGKSA-N 2 0 252.427 2.830 20 0 CFADRP CCc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)o1 ZINC000278500377 194013898 /nfs/dbraw/zinc/01/38/98/194013898.db2.gz NPNDLPYEEXJYBU-UHFFFAOYSA-N 2 0 262.397 2.806 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(C)nn(C)c1C ZINC000161658707 378863526 /nfs/dbraw/zinc/86/35/26/378863526.db2.gz PRNQEEIVVNSRJA-OAGGEKHMSA-N 2 0 290.455 2.704 20 0 CFADRP Fc1cccc(F)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278538170 194031516 /nfs/dbraw/zinc/03/15/16/194031516.db2.gz WQVQJHDCBNTWPC-UHFFFAOYSA-N 2 0 280.362 2.929 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000278538364 194032834 /nfs/dbraw/zinc/03/28/34/194032834.db2.gz WVYBRNDYPNKNAC-UHFFFAOYSA-N 2 0 250.411 2.712 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccncc1Cl ZINC000529569573 383732981 /nfs/dbraw/zinc/73/29/81/383732981.db2.gz ODZZWNKTGSCXSD-SMDDNHRTSA-N 2 0 267.804 2.507 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000278591840 194060120 /nfs/dbraw/zinc/06/01/20/194060120.db2.gz ZQKPCWALPRABNP-MRXNPFEDSA-N 2 0 278.465 2.981 20 0 CFADRP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH]nc1-c1ccccc1 ZINC000335270231 378998111 /nfs/dbraw/zinc/99/81/11/378998111.db2.gz RKQAUPIWKNZFTF-IYBDPMFKSA-N 2 0 296.418 2.508 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000165977879 379045900 /nfs/dbraw/zinc/04/59/00/379045900.db2.gz DATAJUSJPGJBNX-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccccc21 ZINC000165961873 379046120 /nfs/dbraw/zinc/04/61/20/379046120.db2.gz WPNYOCOSTXOFPN-WBVHZDCISA-N 2 0 276.424 2.620 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000165961637 379046544 /nfs/dbraw/zinc/04/65/44/379046544.db2.gz WPNYOCOSTXOFPN-NVXWUHKLSA-N 2 0 276.424 2.620 20 0 CFADRP CO[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000167154124 379068420 /nfs/dbraw/zinc/06/84/20/379068420.db2.gz AAKQAQFOJBTAJW-SJORKVTESA-N 2 0 290.451 2.922 20 0 CFADRP CO[C@@H]1CCN(Cc2c(C)oc3ccccc32)[C@@H](C[NH3+])C1 ZINC000167174118 379068919 /nfs/dbraw/zinc/06/89/19/379068919.db2.gz DCDISUMWPIYDMO-ZIAGYGMSSA-N 2 0 288.391 2.679 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423084580 284758658 /nfs/dbraw/zinc/75/86/58/284758658.db2.gz IKBLDFCZYZQVJV-UIDBIOKJSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000334452248 379323031 /nfs/dbraw/zinc/32/30/31/379323031.db2.gz XZRKSFHVMQFIJG-BLLLJJGKSA-N 2 0 287.382 2.946 20 0 CFADRP c1cn(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cn1 ZINC000378886158 781969831 /nfs/dbraw/zinc/96/98/31/781969831.db2.gz IAQBOCOBUUQWMS-WMZOPIPTSA-N 2 0 296.418 2.589 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000335500806 379409870 /nfs/dbraw/zinc/40/98/70/379409870.db2.gz QMUHIWMAKBUNKJ-ZBCRRDGASA-N 2 0 276.449 2.877 20 0 CFADRP Brc1cccc2c1CCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335551950 379498205 /nfs/dbraw/zinc/49/82/05/379498205.db2.gz MCQNQHKLGOSGCN-CQSZACIVSA-N 2 0 295.224 2.636 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnn(C(C)(C)C)c1)CC[NH2+]CC2 ZINC000335544633 379487228 /nfs/dbraw/zinc/48/72/28/379487228.db2.gz VENXNUYVKLGJFB-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnn(C(C)(C)C)c1)CC[NH2+]CC2 ZINC000335544634 379487330 /nfs/dbraw/zinc/48/73/30/379487330.db2.gz VENXNUYVKLGJFB-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP Fc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335633584 379632616 /nfs/dbraw/zinc/63/26/16/379632616.db2.gz KMZCOGMXOHFAID-KGLIPLIRSA-N 2 0 262.372 2.647 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335634055 379633533 /nfs/dbraw/zinc/63/35/33/379633533.db2.gz LXRYAELSLQIOBS-OLZOCXBDSA-N 2 0 250.411 2.570 20 0 CFADRP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335625167 379619905 /nfs/dbraw/zinc/61/99/05/379619905.db2.gz JCEOCKPKSROHNP-CQSZACIVSA-N 2 0 284.403 2.686 20 0 CFADRP Clc1cnccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334661196 379726463 /nfs/dbraw/zinc/72/64/63/379726463.db2.gz FLXWLAKIVHJYTE-CYBMUJFWSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000173388102 379734965 /nfs/dbraw/zinc/73/49/65/379734965.db2.gz VWSIGBQJGZVOHX-MRXNPFEDSA-N 2 0 289.467 2.611 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(CCOc2cccc(C)c2)C1 ZINC000173887736 379793908 /nfs/dbraw/zinc/79/39/08/379793908.db2.gz IPAWSXXAQIFVQH-MRXNPFEDSA-N 2 0 276.424 2.647 20 0 CFADRP COC[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000173915490 379798756 /nfs/dbraw/zinc/79/87/56/379798756.db2.gz RXQSTPXZXHSIGN-AWEZNQCLSA-N 2 0 264.413 2.651 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@](C)(O)c1ccccc1 ZINC000173959733 379807561 /nfs/dbraw/zinc/80/75/61/379807561.db2.gz XAQYJBNUSHBDLU-ROUUACIJSA-N 2 0 290.451 2.700 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC000334765060 379909536 /nfs/dbraw/zinc/90/95/36/379909536.db2.gz PVJOJNJCYFPEQP-MJGOQNOKSA-N 2 0 293.414 2.932 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000335786303 379887492 /nfs/dbraw/zinc/88/74/92/379887492.db2.gz JUIIMHNFRYRWSJ-PBHICJAKSA-N 2 0 281.403 2.918 20 0 CFADRP CCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459722804 535457697 /nfs/dbraw/zinc/45/76/97/535457697.db2.gz CADPRVJJGDBSQS-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP Clc1ccccc1N1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000334849392 379933057 /nfs/dbraw/zinc/93/30/57/379933057.db2.gz QHRMCRIKOUWZEE-AWEZNQCLSA-N 2 0 293.842 2.650 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)nc2)[C@H](C)C1 ZINC000174773030 379937603 /nfs/dbraw/zinc/93/76/03/379937603.db2.gz TUUOKCZFABPFGH-OCCSQVGLSA-N 2 0 281.831 2.897 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000334979887 379950726 /nfs/dbraw/zinc/95/07/26/379950726.db2.gz JZGCPKGYXKDJOX-QWHCGFSZSA-N 2 0 279.815 2.557 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC2(CCOCC2)C1 ZINC000335856961 380003788 /nfs/dbraw/zinc/00/37/88/380003788.db2.gz MHBJZVYIFFJDHK-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1C ZINC000335868283 380022453 /nfs/dbraw/zinc/02/24/53/380022453.db2.gz XHVNOQVRJOZGRL-ZDUSSCGKSA-N 2 0 270.380 2.950 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335907130 380087220 /nfs/dbraw/zinc/08/72/20/380087220.db2.gz MHZGQRSGMWMGQN-IAQYHMDHSA-N 2 0 282.790 2.705 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000335228461 380044508 /nfs/dbraw/zinc/04/45/08/380044508.db2.gz JOBUWTMCKQFYOR-JSGCOSHPSA-N 2 0 274.408 2.569 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CCc4ccccc4C3)cn2)cn1 ZINC000177225556 380319258 /nfs/dbraw/zinc/31/92/58/380319258.db2.gz ZXDJHARPBHLPQG-UHFFFAOYSA-N 2 0 290.370 2.826 20 0 CFADRP CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000176973722 380288036 /nfs/dbraw/zinc/28/80/36/380288036.db2.gz OSFOVCABTDZROW-WMLDXEAASA-N 2 0 294.414 2.833 20 0 CFADRP F[C@H]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000336514782 380393504 /nfs/dbraw/zinc/39/35/04/380393504.db2.gz YJRRWVOWLWLMIE-JSGCOSHPSA-N 2 0 263.360 2.531 20 0 CFADRP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000178158054 380415540 /nfs/dbraw/zinc/41/55/40/380415540.db2.gz ANENJTWMFGROGZ-QAPCUYQASA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000336650122 380583690 /nfs/dbraw/zinc/58/36/90/380583690.db2.gz DMCZRGGHCUKVEE-MNOVXSKESA-N 2 0 285.229 2.565 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OC)cc1 ZINC000336786182 380632930 /nfs/dbraw/zinc/63/29/30/380632930.db2.gz BGIONHWVIOCOHF-WFASDCNBSA-N 2 0 250.386 2.863 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCSC(C)C)C1 ZINC000336686452 380591814 /nfs/dbraw/zinc/59/18/14/380591814.db2.gz DUZOUHUNECPLST-CQSZACIVSA-N 2 0 258.475 2.792 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000336719194 380610498 /nfs/dbraw/zinc/61/04/98/380610498.db2.gz RNJOQFINVZLVEJ-WBVHZDCISA-N 2 0 276.424 2.795 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336814301 380675104 /nfs/dbraw/zinc/67/51/04/380675104.db2.gz FGSPPDWFBOLNJF-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1(C)C ZINC000181527350 380818087 /nfs/dbraw/zinc/81/80/87/380818087.db2.gz PIPQSQJMYYOOMH-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccnc(C)c1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000287385688 380819876 /nfs/dbraw/zinc/81/98/76/380819876.db2.gz CKFUEZDEAFPUGR-JSGCOSHPSA-N 2 0 290.411 2.645 20 0 CFADRP CSCC1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000400729958 380863634 /nfs/dbraw/zinc/86/36/34/380863634.db2.gz QHGAZAWQLIORLH-BLYZHGLHSA-N 2 0 256.459 2.638 20 0 CFADRP C1CC(C([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CCC2)C1 ZINC000400982171 380866177 /nfs/dbraw/zinc/86/61/77/380866177.db2.gz UWLCRXNQOYXMGC-ARFHVFGLSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1C ZINC000401009253 380866805 /nfs/dbraw/zinc/86/68/05/380866805.db2.gz GDQLQQGXGRHXKQ-TWHJKIGZSA-N 2 0 250.430 2.789 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000347006276 380870025 /nfs/dbraw/zinc/87/00/25/380870025.db2.gz PMRLNBVWSBFVRU-HNNXBMFYSA-N 2 0 290.451 2.805 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000346980655 380841438 /nfs/dbraw/zinc/84/14/38/380841438.db2.gz MHAJRCNFMOFNLC-WMZOPIPTSA-N 2 0 287.451 2.587 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000181739072 380878783 /nfs/dbraw/zinc/87/87/83/380878783.db2.gz DAXJIOHBACEJEO-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000181645778 380851031 /nfs/dbraw/zinc/85/10/31/380851031.db2.gz KNJRJMYBDNGLST-BHYGNILZSA-N 2 0 288.435 2.573 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000347013447 380879189 /nfs/dbraw/zinc/87/91/89/380879189.db2.gz WNIQYVRUAOIRGX-RDJZCZTQSA-N 2 0 290.451 2.805 20 0 CFADRP CC(C)([NH3+])C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000346993006 380857756 /nfs/dbraw/zinc/85/77/56/380857756.db2.gz UIBYJBYEKHWTDX-ZDUSSCGKSA-N 2 0 264.438 2.838 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)[C@H](C)C1 ZINC000353798065 380858752 /nfs/dbraw/zinc/85/87/52/380858752.db2.gz SYYWPUHPKRFDCG-JJXSEGSLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[C@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367939158 380859011 /nfs/dbraw/zinc/85/90/11/380859011.db2.gz ZWCCANYGNUGDQO-VMWRSERWSA-N 2 0 296.499 2.978 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000347015481 380879816 /nfs/dbraw/zinc/87/98/16/380879816.db2.gz JOMRABROWNILTI-GDBMZVCRSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC(C)(C)[NH3+])CC1 ZINC000346997618 380862183 /nfs/dbraw/zinc/86/21/83/380862183.db2.gz XGNFIXQVWYNPMY-OAHLLOKOSA-N 2 0 281.488 2.700 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000368017619 380886837 /nfs/dbraw/zinc/88/68/37/380886837.db2.gz NHALWCHYDGMMHB-QYZOEREBSA-N 2 0 299.462 2.739 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000347032918 380892272 /nfs/dbraw/zinc/89/22/72/380892272.db2.gz FCAFKQQMEHINPQ-AWEZNQCLSA-N 2 0 298.434 2.944 20 0 CFADRP C[C@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000181785945 380894446 /nfs/dbraw/zinc/89/44/46/380894446.db2.gz SQWCZZQISYZWEN-DZOHQFGASA-N 2 0 287.451 2.504 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000181796767 380898151 /nfs/dbraw/zinc/89/81/51/380898151.db2.gz GSDIXUJEFACIAK-ZOBUZTSGSA-N 2 0 290.451 2.946 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347039546 380899730 /nfs/dbraw/zinc/89/97/30/380899730.db2.gz JOUSLJDHQPDWJH-IRHPPKKSSA-N 2 0 274.408 2.768 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000347047976 380904206 /nfs/dbraw/zinc/90/42/06/380904206.db2.gz PGCPGTMWDMMQTR-GFCCVEGCSA-N 2 0 293.480 2.699 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347056381 380911689 /nfs/dbraw/zinc/91/16/89/380911689.db2.gz UTZISIVNOLFHBZ-JTUUTPGSSA-N 2 0 280.456 2.654 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2[N@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)cc1 ZINC000368242579 380966136 /nfs/dbraw/zinc/96/61/36/380966136.db2.gz NKRFJFNDDAJILK-VMXHOPILSA-N 2 0 282.431 2.959 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000347095883 380933957 /nfs/dbraw/zinc/93/39/57/380933957.db2.gz INVSGJAZUCUTOR-INIZCTEOSA-N 2 0 281.403 2.790 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc(C)c1OC(F)F ZINC000347108632 380945804 /nfs/dbraw/zinc/94/58/04/380945804.db2.gz OZDFCEAHGAXUAF-GFCCVEGCSA-N 2 0 284.350 2.685 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186609 381014698 /nfs/dbraw/zinc/01/46/98/381014698.db2.gz CGRYZIUFDOXYMB-CABCVRRESA-N 2 0 298.471 2.770 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000358710601 381027517 /nfs/dbraw/zinc/02/75/17/381027517.db2.gz FYRMXRYBJXUAEF-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP O=C1CCC(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000336187932 296316008 /nfs/dbraw/zinc/31/60/08/296316008.db2.gz XFBKYPVHDIWJPK-INIZCTEOSA-N 2 0 278.440 2.696 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000347201503 381000905 /nfs/dbraw/zinc/00/09/05/381000905.db2.gz KANUMNXNOUTOEW-QAPCUYQASA-N 3 0 298.434 2.692 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000347285847 381047419 /nfs/dbraw/zinc/04/74/19/381047419.db2.gz DSNAJDBQLWBJNU-CHWSQXEVSA-N 2 0 252.377 2.859 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368530572 381055426 /nfs/dbraw/zinc/05/54/26/381055426.db2.gz NRBCWGQOVBFHNC-QZTJIDSGSA-N 2 0 290.451 2.913 20 0 CFADRP CCC(CC)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000354077283 381063390 /nfs/dbraw/zinc/06/33/90/381063390.db2.gz CYGCHFYCRQKDJX-MRXNPFEDSA-N 2 0 270.461 2.855 20 0 CFADRP C[C@H](C[NH2+]C1CC(c2ccccn2)C1)C[NH+]1CCCC1 ZINC000368566065 381066136 /nfs/dbraw/zinc/06/61/36/381066136.db2.gz HAYXXAVCPUDBLI-QQFBHYJXSA-N 2 0 273.424 2.649 20 0 CFADRP Cc1ccncc1CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000289620932 381069445 /nfs/dbraw/zinc/06/94/45/381069445.db2.gz JZCJNWKIFCSEAG-KRWDZBQOSA-N 2 0 275.440 2.739 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000354087660 381072473 /nfs/dbraw/zinc/07/24/73/381072473.db2.gz DQWCMEOZUUIJHW-AWEZNQCLSA-N 2 0 282.453 2.681 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000368488856 381042385 /nfs/dbraw/zinc/04/23/85/381042385.db2.gz UQMWQNLWVLQPAV-NVXWUHKLSA-N 2 0 294.483 2.924 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289645980 381083722 /nfs/dbraw/zinc/08/37/22/381083722.db2.gz HZHDZROABSKGJK-UONOGXRCSA-N 2 0 292.423 2.783 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000182452675 381092043 /nfs/dbraw/zinc/09/20/43/381092043.db2.gz SHEWWYWDWKUEKP-JKSUJKDBSA-N 2 0 292.471 2.973 20 0 CFADRP C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1nccn1C ZINC000182475602 381093072 /nfs/dbraw/zinc/09/30/72/381093072.db2.gz ALMRSIHXBXLIAM-HIFRSBDPSA-N 2 0 278.444 2.581 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[C@@H](C)O1 ZINC000295836826 381107610 /nfs/dbraw/zinc/10/76/10/381107610.db2.gz ZFDXAGUOALLVJD-RKYPPNDESA-N 2 0 288.435 2.805 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000354155376 381111698 /nfs/dbraw/zinc/11/16/98/381111698.db2.gz LRNAHPZEMJACFL-QWHCGFSZSA-N 2 0 279.815 2.964 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000368749725 381123170 /nfs/dbraw/zinc/12/31/70/381123170.db2.gz IIQTVFMXLLLSCO-AWEZNQCLSA-N 2 0 289.423 2.514 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]C2CC(C)(C)C2)C[C@H](C)O1 ZINC000347387050 381115366 /nfs/dbraw/zinc/11/53/66/381115366.db2.gz CGFZKBAWQKRARB-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1Cl ZINC000354172879 381118085 /nfs/dbraw/zinc/11/80/85/381118085.db2.gz RDDCGNSMILGXKU-STQMWFEESA-N 2 0 279.815 2.964 20 0 CFADRP COC1CC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000347423040 381141839 /nfs/dbraw/zinc/14/18/39/381141839.db2.gz SIWKUUPSEMOASN-ODIFPOPNSA-N 2 0 276.424 2.664 20 0 CFADRP CCOCC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182753631 381149174 /nfs/dbraw/zinc/14/91/74/381149174.db2.gz CKJJOGHDBDSMRX-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)COC)CC1 ZINC000182768174 381153371 /nfs/dbraw/zinc/15/33/71/381153371.db2.gz SNNSKBRDBJZKQE-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C[C@H]1n1ccnc1 ZINC000347489801 381182216 /nfs/dbraw/zinc/18/22/16/381182216.db2.gz OCUAFCADNVWVIK-OWCLPIDISA-N 2 0 277.412 2.725 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000341878851 381198024 /nfs/dbraw/zinc/19/80/24/381198024.db2.gz SFRGWESBPNFAHX-RCCFBDPRSA-N 2 0 288.435 2.838 20 0 CFADRP COC1(C[NH2+]CCCc2cnccc2C)CCCC1 ZINC000296027910 381219197 /nfs/dbraw/zinc/21/91/97/381219197.db2.gz MZPAJCMFNMUIFY-UHFFFAOYSA-N 2 0 262.397 2.871 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cnn(CC(C)C)c2)C1 ZINC000183365027 381262967 /nfs/dbraw/zinc/26/29/67/381262967.db2.gz VDWALTSPNNDVGS-INIZCTEOSA-N 2 0 292.471 2.703 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2COCC)CC1 ZINC000354353916 381220653 /nfs/dbraw/zinc/22/06/53/381220653.db2.gz WPLVCQFHRMPQNZ-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+](C)[C@]1(CNc2cc[nH+]c3ccccc23)CCSC1 ZINC000359025958 381220759 /nfs/dbraw/zinc/22/07/59/381220759.db2.gz DVQANPMRNAPNML-INIZCTEOSA-N 2 0 287.432 2.506 20 0 CFADRP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000183198841 381233682 /nfs/dbraw/zinc/23/36/82/381233682.db2.gz HASKZONBRKGOJF-KMFMINBZSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCc2cnccc2C)C1 ZINC000289959608 381233928 /nfs/dbraw/zinc/23/39/28/381233928.db2.gz IMNJPHGWKWEYPQ-QGZVFWFLSA-N 2 0 289.467 2.986 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000354382166 381236536 /nfs/dbraw/zinc/23/65/36/381236536.db2.gz GPWWEUHLQIKRHC-FGTMMUONSA-N 2 0 293.499 2.810 20 0 CFADRP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(C)c1O ZINC000347599944 381246259 /nfs/dbraw/zinc/24/62/59/381246259.db2.gz ZCWGYKHXFRYAMP-OAHLLOKOSA-N 2 0 276.424 2.783 20 0 CFADRP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(C)c1O ZINC000347599940 381246879 /nfs/dbraw/zinc/24/68/79/381246879.db2.gz ZCWGYKHXFRYAMP-HNNXBMFYSA-N 2 0 276.424 2.783 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000290079986 381290226 /nfs/dbraw/zinc/29/02/26/381290226.db2.gz GSJGFIFFXGVLIF-HUUCEWRRSA-N 2 0 278.440 2.945 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccccc2)O1 ZINC000359215321 381291598 /nfs/dbraw/zinc/29/15/98/381291598.db2.gz JQTIUYSQHMLTHV-YJBOKZPZSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc(N[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359228450 381299863 /nfs/dbraw/zinc/29/98/63/381299863.db2.gz XHVRGEHKWIBMKR-KRWDZBQOSA-N 2 0 273.424 2.563 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369502092 381274222 /nfs/dbraw/zinc/27/42/22/381274222.db2.gz FEKLLHWZQUMXDO-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NCc1cnc2ccc(C)cn12 ZINC000342420982 381323091 /nfs/dbraw/zinc/32/30/91/381323091.db2.gz BJCOWLBGAAHRQF-OAHLLOKOSA-N 2 0 288.439 2.853 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000342442806 381333589 /nfs/dbraw/zinc/33/35/89/381333589.db2.gz MFDIWZSUNUPYCP-GOEBONIOSA-N 2 0 291.439 2.690 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000354549212 381334089 /nfs/dbraw/zinc/33/40/89/381334089.db2.gz NOGLOHDNYCGTDI-HNNXBMFYSA-N 2 0 298.471 2.533 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000354552630 381336915 /nfs/dbraw/zinc/33/69/15/381336915.db2.gz SMOZMSAHODVVKP-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2ccc(C)nc2)CC1 ZINC000354563441 381339896 /nfs/dbraw/zinc/33/98/96/381339896.db2.gz DWONAEGRIVMYLD-UHFFFAOYSA-N 2 0 275.440 2.787 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C(C2CC2)C2CC2)CCCC1 ZINC000183954694 381345831 /nfs/dbraw/zinc/34/58/31/381345831.db2.gz TUJHBPMETZXULR-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000359334980 381359079 /nfs/dbraw/zinc/35/90/79/381359079.db2.gz SYZCKNWZDSZXRD-ZIAGYGMSSA-N 2 0 264.438 2.815 20 0 CFADRP C[C@H]1COCCN1CCNc1cc[nH+]c2cc(F)ccc12 ZINC000354632693 381375778 /nfs/dbraw/zinc/37/57/78/381375778.db2.gz OFCNSVODSHURJU-LBPRGKRZSA-N 2 0 289.354 2.507 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1c(C)nn(C)c1C ZINC000347902921 381406129 /nfs/dbraw/zinc/40/61/29/381406129.db2.gz LMGOKTOPUNMQRQ-GJZGRUSLSA-N 2 0 278.444 2.562 20 0 CFADRP CCc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000347864857 381386316 /nfs/dbraw/zinc/38/63/16/381386316.db2.gz YGWIVTWMPBOBNA-KRWDZBQOSA-N 2 0 275.440 2.950 20 0 CFADRP CCc1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)cn1 ZINC000347865194 381389780 /nfs/dbraw/zinc/38/97/80/381389780.db2.gz YXZRVDXBCOVRMO-MRXNPFEDSA-N 2 0 275.440 2.808 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290337119 381390010 /nfs/dbraw/zinc/39/00/10/381390010.db2.gz FEWAFTALVSRCHA-QZTJIDSGSA-N 2 0 288.435 2.749 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290342332 381392163 /nfs/dbraw/zinc/39/21/63/381392163.db2.gz FMBOXJBBYNSEIZ-DOTOQJQBSA-N 2 0 274.408 2.611 20 0 CFADRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370163977 381397721 /nfs/dbraw/zinc/39/77/21/381397721.db2.gz VDJGPRUKQSAEGN-GXTWGEPZSA-N 2 0 294.468 2.511 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCC(C)(C)C ZINC000342570178 381402574 /nfs/dbraw/zinc/40/25/74/381402574.db2.gz BGZUJOASGTZVLA-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP CCc1oc2ccccc2c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359477975 381427683 /nfs/dbraw/zinc/42/76/83/381427683.db2.gz WGQSMNVQIMKTDN-STQMWFEESA-N 2 0 270.376 2.646 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000290456074 381435067 /nfs/dbraw/zinc/43/50/67/381435067.db2.gz MQLMBMKXQKDWSO-BBRMVZONSA-N 2 0 264.388 2.906 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000342617435 381437260 /nfs/dbraw/zinc/43/72/60/381437260.db2.gz QQUKGYKOBBUMBL-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000184457270 381418936 /nfs/dbraw/zinc/41/89/36/381418936.db2.gz QNFOKYIZZNRKJB-HOTGVXAUSA-N 2 0 296.455 2.524 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]CCC1CCCCCC1 ZINC000347929492 381420084 /nfs/dbraw/zinc/42/00/84/381420084.db2.gz XEIGKOOBBGHIJU-UHFFFAOYSA-N 2 0 270.461 2.905 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000370589281 381474837 /nfs/dbraw/zinc/47/48/37/381474837.db2.gz PIIHBPPGLBZUKK-GOEBONIOSA-N 2 0 261.413 2.649 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660059 381454546 /nfs/dbraw/zinc/45/45/46/381454546.db2.gz YLDCXECLDWEKBH-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccoc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290519947 381462339 /nfs/dbraw/zinc/46/23/39/381462339.db2.gz PZYKIRNKIJIAHT-HNNXBMFYSA-N 2 0 262.397 2.752 20 0 CFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000354884668 381506281 /nfs/dbraw/zinc/50/62/81/381506281.db2.gz DURIRISIRFBEJM-ROUUACIJSA-N 2 0 294.483 2.878 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@@H]2CCC[C@@H]21 ZINC000348340825 381517940 /nfs/dbraw/zinc/51/79/40/381517940.db2.gz YAEIEKRRIRDIHQ-IHRRRGAJSA-N 2 0 254.393 2.731 20 0 CFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)cc1 ZINC000370680637 381488417 /nfs/dbraw/zinc/48/84/17/381488417.db2.gz JOPKOKLDQLBMGR-MSOLQXFVSA-N 2 0 270.420 2.850 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000342705509 381491994 /nfs/dbraw/zinc/49/19/94/381491994.db2.gz HYHUHDOWWIIFNT-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)OC ZINC000348306682 381496201 /nfs/dbraw/zinc/49/62/01/381496201.db2.gz ZOWDPYNOGCNRPM-KKUMJFAQSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCC(C)(C)C)CN1CC[NH+](C)CC1 ZINC000342720639 381496943 /nfs/dbraw/zinc/49/69/43/381496943.db2.gz CQOPIMCNUDYZLB-HZPDHXFCSA-N 2 0 283.504 2.674 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC3(CCC3)CC2)CC1 ZINC000370739352 381502400 /nfs/dbraw/zinc/50/24/00/381502400.db2.gz KKLHXBGUIBQQAB-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000354877960 381502837 /nfs/dbraw/zinc/50/28/37/381502837.db2.gz ZDJFZNZDFOVSPK-GOSISDBHSA-N 2 0 296.499 2.981 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000348385337 381544741 /nfs/dbraw/zinc/54/47/41/381544741.db2.gz WJEHNFLNOGPKCE-XBVQOTNRSA-N 2 0 280.456 2.533 20 0 CFADRP COC1(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)CCCC1 ZINC000359678441 381550864 /nfs/dbraw/zinc/55/08/64/381550864.db2.gz NXRXZCCRZQCPNR-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP COC1(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000297430416 381560999 /nfs/dbraw/zinc/56/09/99/381560999.db2.gz NGVRMJRTUWTMPS-UHFFFAOYSA-N 2 0 289.423 2.599 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1O ZINC000290817615 381561975 /nfs/dbraw/zinc/56/19/75/381561975.db2.gz WRRGWCTZFZHJMQ-CYBMUJFWSA-N 2 0 292.423 2.783 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000185200651 381563477 /nfs/dbraw/zinc/56/34/77/381563477.db2.gz GDWQCZASHGJMEA-ZNMIVQPWSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371207587 381567475 /nfs/dbraw/zinc/56/74/75/381567475.db2.gz LFCJUBWVOMNFSY-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000185219800 381569180 /nfs/dbraw/zinc/56/91/80/381569180.db2.gz ZGNDKCBSAGHGRS-LSDHHAIUSA-N 2 0 268.445 2.510 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414202965 381571107 /nfs/dbraw/zinc/57/11/07/381571107.db2.gz ZQIPDYRCCUWCEA-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCCOc2ccccc2)CC[NH2+]1 ZINC000414697974 381599478 /nfs/dbraw/zinc/59/94/78/381599478.db2.gz HGRSXHUCMQVHBT-HOTGVXAUSA-N 2 0 276.424 2.775 20 0 CFADRP CC(C)C[N@H+](CCC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000414753436 381603246 /nfs/dbraw/zinc/60/32/46/381603246.db2.gz MKSAGGMCLOYALT-OAHLLOKOSA-N 2 0 261.413 2.766 20 0 CFADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414793377 381604320 /nfs/dbraw/zinc/60/43/20/381604320.db2.gz KIRPOZKTTPAARH-OIISXLGYSA-N 2 0 281.488 2.602 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414799654 381604687 /nfs/dbraw/zinc/60/46/87/381604687.db2.gz KGWNAWNUDYKZTD-QAPCUYQASA-N 2 0 287.451 2.763 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000414780195 381605213 /nfs/dbraw/zinc/60/52/13/381605213.db2.gz LBECHDHAHVHESQ-GFCCVEGCSA-N 2 0 264.438 2.681 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000414756845 381605450 /nfs/dbraw/zinc/60/54/50/381605450.db2.gz RHQAOUHBGDKWIX-HLLBOEOZSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c(C)c2Cl)C[C@H]1C ZINC000355090982 381606234 /nfs/dbraw/zinc/60/62/34/381606234.db2.gz HUEIARZKQZKCSC-GHMZBOCLSA-N 2 0 267.804 2.962 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414825103 381607039 /nfs/dbraw/zinc/60/70/39/381607039.db2.gz RXPYHUWFAQMJMF-NFAWXSAZSA-N 2 0 264.388 2.734 20 0 CFADRP CCN(C)CC[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000185282688 381585575 /nfs/dbraw/zinc/58/55/75/381585575.db2.gz LPOGSIIFSJIJGY-CYBMUJFWSA-N 2 0 282.403 2.554 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414853811 381609543 /nfs/dbraw/zinc/60/95/43/381609543.db2.gz TXXOYRIICJFDOU-GARJFASQSA-N 2 0 252.324 2.553 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CC[NH3+])c(OC(F)F)cc1C ZINC000414883201 381609710 /nfs/dbraw/zinc/60/97/10/381609710.db2.gz MYZZETYCTLYFPF-LLVKDONJSA-N 2 0 272.339 2.732 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414920459 381611158 /nfs/dbraw/zinc/61/11/58/381611158.db2.gz XSILMTRPOOCLMA-QWRGUYRKSA-N 2 0 252.324 2.839 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414924331 381614288 /nfs/dbraw/zinc/61/42/88/381614288.db2.gz JWTIBGLKSNNKRL-CABCVRRESA-N 2 0 262.397 2.833 20 0 CFADRP COc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)ccc2c1 ZINC000414937857 381628934 /nfs/dbraw/zinc/62/89/34/381628934.db2.gz COXFBPLIEZRVPF-UGSOOPFHSA-N 2 0 284.403 2.936 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(-c2ccnn2C)c1 ZINC000414928257 381617466 /nfs/dbraw/zinc/61/74/66/381617466.db2.gz AODCOPMTABQLPV-GDBMZVCRSA-N 2 0 298.434 2.626 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000342923314 381619222 /nfs/dbraw/zinc/61/92/22/381619222.db2.gz XUHSMUUHDWHHGA-JKSUJKDBSA-N 2 0 270.461 2.855 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000414930147 381620163 /nfs/dbraw/zinc/62/01/63/381620163.db2.gz SNFDSPQWZPMBOJ-LSDHHAIUSA-N 2 0 264.438 2.779 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414930711 381620178 /nfs/dbraw/zinc/62/01/78/381620178.db2.gz TYMSXULHEIEPKV-CABCVRRESA-N 2 0 262.397 2.835 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414930715 381620207 /nfs/dbraw/zinc/62/02/07/381620207.db2.gz TYMSXULHEIEPKV-HUUCEWRRSA-N 2 0 262.397 2.835 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000342929921 381620970 /nfs/dbraw/zinc/62/09/70/381620970.db2.gz SJULIADCXNKNNO-ZJIFWQFVSA-N 2 0 268.445 2.606 20 0 CFADRP CC1([NH2+]Cc2cccc(OC(F)F)c2)CC[NH2+]CC1 ZINC000414932723 381623005 /nfs/dbraw/zinc/62/30/05/381623005.db2.gz DFRDGEGUNDHYKF-UHFFFAOYSA-N 2 0 270.323 2.520 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000414934033 381625237 /nfs/dbraw/zinc/62/52/37/381625237.db2.gz AEIQBIBBVFLYSR-HIFRSBDPSA-N 2 0 294.439 2.613 20 0 CFADRP COC[C@@]1(C[NH2+]C2CCC(C(C)C)CC2)CCC[NH2+]1 ZINC000414937634 381629241 /nfs/dbraw/zinc/62/92/41/381629241.db2.gz DIXRVUHFHALEIM-GPANFISMSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414945982 381635845 /nfs/dbraw/zinc/63/58/45/381635845.db2.gz JBANJQUMINVEDE-MFKMUULPSA-N 2 0 272.314 2.936 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414945980 381636699 /nfs/dbraw/zinc/63/66/99/381636699.db2.gz JBANJQUMINVEDE-GWCFXTLKSA-N 2 0 272.314 2.936 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH2+]1 ZINC000414939920 381631510 /nfs/dbraw/zinc/63/15/10/381631510.db2.gz BKPMGKKECSPYAH-CJNGLKHVSA-N 2 0 274.408 2.706 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000371519959 381649084 /nfs/dbraw/zinc/64/90/84/381649084.db2.gz PAQKJZCNDDFEHU-BZSNNMDCSA-N 2 0 290.451 2.940 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414953226 381645080 /nfs/dbraw/zinc/64/50/80/381645080.db2.gz JIZBSKVDFGPPGQ-OUAUKWLOSA-N 2 0 252.324 2.695 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414953762 381645665 /nfs/dbraw/zinc/64/56/65/381645665.db2.gz KBVDZDDJCQJUPB-QWHCGFSZSA-N 2 0 252.377 2.734 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414961546 381656582 /nfs/dbraw/zinc/65/65/82/381656582.db2.gz IPUOEWHQPPIBQE-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414978160 381673816 /nfs/dbraw/zinc/67/38/16/381673816.db2.gz SHKXDMHZRQQPET-FAOGRTBUSA-N 2 0 274.408 2.830 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC(C)C ZINC000414964264 381660649 /nfs/dbraw/zinc/66/06/49/381660649.db2.gz UQESDSGYQOFIND-DZGCQCFKSA-N 2 0 292.423 2.570 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414966315 381662137 /nfs/dbraw/zinc/66/21/37/381662137.db2.gz WGDBNBZCCXHIGG-YOEHRIQHSA-N 2 0 281.403 2.836 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414965098 381662622 /nfs/dbraw/zinc/66/26/22/381662622.db2.gz NAEAVSSJEYWIJU-UKRRQHHQSA-N 2 0 264.388 2.879 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H](C)C1 ZINC000348678797 381664690 /nfs/dbraw/zinc/66/46/90/381664690.db2.gz HKVNZOVDFPYRJA-WNYYMSAVSA-N 2 0 264.335 2.647 20 0 CFADRP CCCC[C@H]1CCC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414968852 381666004 /nfs/dbraw/zinc/66/60/04/381666004.db2.gz FSCGOOWYMZAPPS-JKSUJKDBSA-N 2 0 282.472 2.951 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414968814 381666245 /nfs/dbraw/zinc/66/62/45/381666245.db2.gz YMPAKCUCDBCKIH-OMHDXBGXSA-N 2 0 266.335 2.566 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC3CC3)CC2)C[C@@H](C)O1 ZINC000359900468 381667497 /nfs/dbraw/zinc/66/74/97/381667497.db2.gz NRJXLYZMWHHMAR-HZPDHXFCSA-N 2 0 294.483 2.998 20 0 CFADRP c1nc(-c2ccccc2)[nH]c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414975102 381669273 /nfs/dbraw/zinc/66/92/73/381669273.db2.gz OFYICERMZMEOQA-OAHLLOKOSA-N 2 0 284.407 2.699 20 0 CFADRP COCC1(C[NH2+]CCC2CCCCCC2)CC[NH2+]CC1 ZINC000414974640 381669670 /nfs/dbraw/zinc/66/96/70/381669670.db2.gz MKZQQYILZODIRM-UHFFFAOYSA-N 2 0 282.472 2.953 20 0 CFADRP c1cnc2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2c1 ZINC000414976772 381671170 /nfs/dbraw/zinc/67/11/70/381671170.db2.gz QGHHJMCDNAVAFH-INIZCTEOSA-N 2 0 269.392 2.857 20 0 CFADRP Clc1ccccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414975953 381671297 /nfs/dbraw/zinc/67/12/97/381671297.db2.gz PANOZLSBDHXHIH-CYBMUJFWSA-N 2 0 252.789 2.962 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000414958696 381652405 /nfs/dbraw/zinc/65/24/05/381652405.db2.gz RPZQDEOEXLKQQX-PBHICJAKSA-N 2 0 294.414 2.505 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414959656 381654704 /nfs/dbraw/zinc/65/47/04/381654704.db2.gz XMMBIXJZDDIIJD-CMPLNLGQSA-N 2 0 270.323 2.518 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000415014992 381710596 /nfs/dbraw/zinc/71/05/96/381710596.db2.gz XMHKZDILHCRKSL-OUAUKWLOSA-N 2 0 285.229 2.878 20 0 CFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415017082 381711791 /nfs/dbraw/zinc/71/17/91/381711791.db2.gz DMPORRUAYFSDNK-JTQLQIEISA-N 2 0 288.338 2.514 20 0 CFADRP COc1cc2c(cc1F)CN(CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000348789505 381712855 /nfs/dbraw/zinc/71/28/55/381712855.db2.gz COAUQXPPZFMUSA-HNNXBMFYSA-N 2 0 292.398 2.677 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000415019076 381713604 /nfs/dbraw/zinc/71/36/04/381713604.db2.gz VOFWEFJVMAHOMT-NSHDSACASA-N 2 0 278.425 2.745 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000415018889 381713822 /nfs/dbraw/zinc/71/38/22/381713822.db2.gz HGLCYLDSFXLAGT-VXGBXAGGSA-N 2 0 254.805 2.988 20 0 CFADRP CC[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1CC ZINC000343445653 381714329 /nfs/dbraw/zinc/71/43/29/381714329.db2.gz FJOOCGHVJPJEHN-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP COc1cc2c(c(C[NH2+][C@H](C)CCCC[NH3+])c1)O[C@H](C)C2 ZINC000415020349 381714866 /nfs/dbraw/zinc/71/48/66/381714866.db2.gz XGUYTKQNUZFYQG-CHWSQXEVSA-N 2 0 292.423 2.626 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414986451 381681737 /nfs/dbraw/zinc/68/17/37/381681737.db2.gz CJEJSVOXWMXTBE-SJORKVTESA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000414989478 381683726 /nfs/dbraw/zinc/68/37/26/381683726.db2.gz HAYGKJHWWORUGK-DZGCQCFKSA-N 2 0 285.391 2.949 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC000414991126 381684618 /nfs/dbraw/zinc/68/46/18/381684618.db2.gz JBTPAEBSUXCJIJ-GXFFZTMASA-N 2 0 254.324 2.572 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414991012 381685771 /nfs/dbraw/zinc/68/57/71/381685771.db2.gz PVLZVWPHCPOZIE-GXFFZTMASA-N 2 0 274.330 2.963 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414996407 381690034 /nfs/dbraw/zinc/69/00/34/381690034.db2.gz XRWNNVFESSYZQT-YPMHNXCESA-N 2 0 286.366 2.936 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999280 381691499 /nfs/dbraw/zinc/69/14/99/381691499.db2.gz RNIXEWLFUWSOMS-ZTHSPGPESA-N 2 0 274.408 2.816 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/c1ccccc1 ZINC000414998605 381691820 /nfs/dbraw/zinc/69/18/20/381691820.db2.gz UHAUMEZZXKTTDZ-LZZCZPBASA-N 2 0 256.393 2.805 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC000415001974 381694303 /nfs/dbraw/zinc/69/43/03/381694303.db2.gz DCAZCYOHMPSSHM-PUVSPLIDSA-N 2 0 292.373 2.956 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002416 381694515 /nfs/dbraw/zinc/69/45/15/381694515.db2.gz DIGVOQXLVIRJKY-JCGIZDLHSA-N 2 0 272.436 2.985 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000415002591 381694550 /nfs/dbraw/zinc/69/45/50/381694550.db2.gz VZQSWIOTMVYMEQ-HIFRSBDPSA-N 2 0 284.407 2.684 20 0 CFADRP CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415004073 381697210 /nfs/dbraw/zinc/69/72/10/381697210.db2.gz HGEWVZIDYDQWPN-QKPAOTATSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H](CN[C@H](C)c1cscn1)C[NH+]1CCCCC1 ZINC000162373517 322363463 /nfs/dbraw/zinc/36/34/63/322363463.db2.gz OUMYWMWRUVQZMX-CHWSQXEVSA-N 2 0 267.442 2.916 20 0 CFADRP COc1ccccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023980 381717217 /nfs/dbraw/zinc/71/72/17/381717217.db2.gz MITIUFKHZGSKRO-HDJSIYSDSA-N 2 0 262.397 2.550 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000415009885 381704318 /nfs/dbraw/zinc/70/43/18/381704318.db2.gz FWZJCIIZGXRCNT-CYBMUJFWSA-N 2 0 272.396 2.684 20 0 CFADRP COc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415012417 381706885 /nfs/dbraw/zinc/70/68/85/381706885.db2.gz XDADBCCFKISVJB-FMKPAKJESA-N 2 0 276.424 2.906 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000415013488 381707774 /nfs/dbraw/zinc/70/77/74/381707774.db2.gz KPBDUKODFBDGJF-UWVGGRQHSA-N 2 0 258.768 2.737 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415042890 381730542 /nfs/dbraw/zinc/73/05/42/381730542.db2.gz RJSFCFTZHHFJNV-XBFCOCLRSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC000415073790 381758498 /nfs/dbraw/zinc/75/84/98/381758498.db2.gz BNFGDBACJFIQCP-VXGBXAGGSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@@]1(C)C[NH3+] ZINC000415051482 381735878 /nfs/dbraw/zinc/73/58/78/381735878.db2.gz FWHXBBIRFFRARN-UOYPKJBKSA-N 2 0 262.372 2.756 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000415049635 381736264 /nfs/dbraw/zinc/73/62/64/381736264.db2.gz DUXWBANJOLHDGK-WOSRLPQWSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)COC2 ZINC000360031094 381740782 /nfs/dbraw/zinc/74/07/82/381740782.db2.gz YVXUHBDRXCARLE-VHSSKADRSA-N 2 0 286.419 2.994 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415060628 381746381 /nfs/dbraw/zinc/74/63/81/381746381.db2.gz XCNXOOIWJQWSKS-ZLZJIPBDSA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000415061089 381747909 /nfs/dbraw/zinc/74/79/09/381747909.db2.gz XVSRHMXOIISYGA-MRXNPFEDSA-N 2 0 255.365 2.651 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000415027416 381719428 /nfs/dbraw/zinc/71/94/28/381719428.db2.gz WQVKFUAXJIWLGB-STQMWFEESA-N 2 0 252.377 2.864 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C/C=C/c1ccc(F)cc1F ZINC000415027674 381719827 /nfs/dbraw/zinc/71/98/27/381719827.db2.gz XBSYHNBPOALTEH-TZNOJPMFSA-N 2 0 254.324 2.695 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)CCC[NH3+])cc1F ZINC000415026623 381720203 /nfs/dbraw/zinc/72/02/03/381720203.db2.gz UZXPPBXQMUVUPM-QWHCGFSZSA-N 2 0 282.403 2.730 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000415027414 381720304 /nfs/dbraw/zinc/72/03/04/381720304.db2.gz WQVKFUAXJIWLGB-OLZOCXBDSA-N 2 0 252.377 2.864 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000415027522 381720444 /nfs/dbraw/zinc/72/04/44/381720444.db2.gz AZSGUCORLNDGPB-UKRRQHHQSA-N 2 0 292.423 2.701 20 0 CFADRP C[C@@H]1C[C@H]1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000348811730 381720468 /nfs/dbraw/zinc/72/04/68/381720468.db2.gz COKFFGPFDXCHDN-KGLIPLIRSA-N 2 0 250.386 2.689 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415028872 381721767 /nfs/dbraw/zinc/72/17/67/381721767.db2.gz AKQUIYIUVGSUPJ-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000415032640 381723353 /nfs/dbraw/zinc/72/33/53/381723353.db2.gz IAYMTBURBHFBIW-WCBMZHEXSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000415034177 381724477 /nfs/dbraw/zinc/72/44/77/381724477.db2.gz JOYMSZDIYCTBPQ-GWCFXTLKSA-N 2 0 272.314 2.922 20 0 CFADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034479 381724774 /nfs/dbraw/zinc/72/47/74/381724774.db2.gz JRUTWDNGOTUAGY-HJUHTLPRSA-N 2 0 285.218 2.732 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415034193 381724880 /nfs/dbraw/zinc/72/48/80/381724880.db2.gz JPCIFZHVPACSBF-SMDDNHRTSA-N 2 0 297.240 2.975 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(Cl)c1OC ZINC000415034106 381725053 /nfs/dbraw/zinc/72/50/53/381725053.db2.gz JIVDFOQSIPOZCR-ZYHUDNBSSA-N 2 0 298.814 2.574 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H]1CCC[NH2+]C1 ZINC000415098504 381781631 /nfs/dbraw/zinc/78/16/31/381781631.db2.gz FJJNDKDUNXSKSQ-MQIPJXDCSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000415112199 381788718 /nfs/dbraw/zinc/78/87/18/381788718.db2.gz PZYDMAFHGYZNEA-BBRMVZONSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C1CCC([NH3+])CC1 ZINC000415115875 381788782 /nfs/dbraw/zinc/78/87/82/381788782.db2.gz VDYCNALPNWQNIF-IUDNXUCKSA-N 2 0 261.413 2.652 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415118477 381790963 /nfs/dbraw/zinc/79/09/63/381790963.db2.gz YHFOCURMFBXYCB-HPUBIQBYSA-N 2 0 275.440 2.900 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000415121038 381791880 /nfs/dbraw/zinc/79/18/80/381791880.db2.gz YTIRSRYWQXRSMN-YDHLFZDLSA-N 2 0 292.423 2.743 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000415121988 381792121 /nfs/dbraw/zinc/79/21/21/381792121.db2.gz HXEFRYBYSJOCME-WBMJQRKESA-N 2 0 276.424 2.729 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2c1 ZINC000415120483 381793283 /nfs/dbraw/zinc/79/32/83/381793283.db2.gz GDMLDPYIXMREQY-OCCSQVGLSA-N 2 0 288.391 2.858 20 0 CFADRP Cc1ccc(NC[C@H]2CC[NH2+][C@H](C)C2)c(C[NH+](C)C)c1 ZINC000415127999 381796285 /nfs/dbraw/zinc/79/62/85/381796285.db2.gz WZWJVGIGUYXUOF-CABCVRRESA-N 2 0 275.440 2.857 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415076036 381761384 /nfs/dbraw/zinc/76/13/84/381761384.db2.gz RGPPHLCMRXPTRI-HIFRSBDPSA-N 2 0 264.388 2.879 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000415074892 381761567 /nfs/dbraw/zinc/76/15/67/381761567.db2.gz AMYKCZHODHPXIC-IPYPFGDCSA-N 2 0 262.397 2.514 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415081971 381767545 /nfs/dbraw/zinc/76/75/45/381767545.db2.gz LBQZGEAVDPMKQN-YJBOKZPZSA-N 2 0 298.434 2.552 20 0 CFADRP CC(C)([NH3+])C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000415083216 381767566 /nfs/dbraw/zinc/76/75/66/381767566.db2.gz MREABNQDNCSCND-UHFFFAOYSA-N 2 0 297.240 2.808 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)ccc1F ZINC000415082829 381767659 /nfs/dbraw/zinc/76/76/59/381767659.db2.gz MDQTXDBBYXBLRY-OCCSQVGLSA-N 2 0 250.361 2.754 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)ccc1OC ZINC000415083094 381768120 /nfs/dbraw/zinc/76/81/20/381768120.db2.gz FFCGSORSAHJTMZ-HIFRSBDPSA-N 2 0 292.423 2.714 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415084195 381769260 /nfs/dbraw/zinc/76/92/60/381769260.db2.gz OLIZTXLKSIRMHB-CVEARBPZSA-N 2 0 260.425 2.824 20 0 CFADRP c1ccc2c(c1)cccc2OCC[NH2+]C1CC[NH2+]CC1 ZINC000415084265 381769814 /nfs/dbraw/zinc/76/98/14/381769814.db2.gz GNLFPYSWDMDHIJ-UHFFFAOYSA-N 2 0 270.376 2.560 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415085321 381772082 /nfs/dbraw/zinc/77/20/82/381772082.db2.gz SIHHCVCHSZKXOQ-MCIONIFRSA-N 2 0 280.387 2.571 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415089598 381774957 /nfs/dbraw/zinc/77/49/57/381774957.db2.gz NTVFPLNINVIDFA-ZENOOKHLSA-N 2 0 274.408 2.660 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000415091015 381776926 /nfs/dbraw/zinc/77/69/26/381776926.db2.gz YNTDAZAVPQICQN-HZPDHXFCSA-N 2 0 261.413 2.553 20 0 CFADRP Cc1cc(NC2CC[NH+](Cc3cccs3)CC2)cc[nH+]1 ZINC000372226585 381777113 /nfs/dbraw/zinc/77/71/13/381777113.db2.gz HRSSNCXBFPTIND-UHFFFAOYSA-N 2 0 287.432 2.950 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1cccnc1 ZINC000415091072 381777268 /nfs/dbraw/zinc/77/72/68/381777268.db2.gz YRZHUMWCQQGHKL-UYSNPLJNSA-N 2 0 261.413 2.681 20 0 CFADRP c1c2ccccc2oc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415091561 381777742 /nfs/dbraw/zinc/77/77/42/381777742.db2.gz QSWNYIVLEUDWLF-AWEZNQCLSA-N 2 0 258.365 2.707 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415096973 381779810 /nfs/dbraw/zinc/77/98/10/381779810.db2.gz CHMZPWGIGGVUQY-DOTOQJQBSA-N 2 0 278.415 2.982 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000343614747 381842647 /nfs/dbraw/zinc/84/26/47/381842647.db2.gz SCECHCFSZADYQE-HZPDHXFCSA-N 2 0 284.488 2.884 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356875530 381879621 /nfs/dbraw/zinc/87/96/21/381879621.db2.gz QZDWIRJRCQCDPC-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292879630 381880010 /nfs/dbraw/zinc/88/00/10/381880010.db2.gz DXJPQAFKXMZOKJ-GOSISDBHSA-N 2 0 288.435 2.751 20 0 CFADRP C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccon1 ZINC000349248052 381863393 /nfs/dbraw/zinc/86/33/93/381863393.db2.gz VJZITYXGBZZFTI-GFCCVEGCSA-N 2 0 268.320 2.711 20 0 CFADRP Cc1ccoc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292854745 381866674 /nfs/dbraw/zinc/86/66/74/381866674.db2.gz AFEOCUMHNMEIGM-UHFFFAOYSA-N 2 0 250.386 2.944 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356863281 381870356 /nfs/dbraw/zinc/87/03/56/381870356.db2.gz KBXDALWONIDRAX-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cnn(CCCCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000372949650 381897058 /nfs/dbraw/zinc/89/70/58/381897058.db2.gz CSDZIIPEXBSVHC-QGZVFWFLSA-N 2 0 292.471 2.778 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)CC1CCCC1 ZINC000349338779 381897710 /nfs/dbraw/zinc/89/77/10/381897710.db2.gz ATXQKEYFRKVYHT-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1ccc(OC)c(C)c1 ZINC000349363511 381908949 /nfs/dbraw/zinc/90/89/49/381908949.db2.gz DZMRRICPHQLCMW-UHFFFAOYSA-N 2 0 264.413 2.777 20 0 CFADRP OCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000186478552 381922393 /nfs/dbraw/zinc/92/23/93/381922393.db2.gz HZFWSRIEMNAWGO-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000349325655 381891576 /nfs/dbraw/zinc/89/15/76/381891576.db2.gz SKISTOJJLVPUIG-CABCVRRESA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000356895599 381892882 /nfs/dbraw/zinc/89/28/82/381892882.db2.gz KRGJCJIBOXUIJW-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000186593363 381958248 /nfs/dbraw/zinc/95/82/48/381958248.db2.gz XXYUAMWNNUQEAD-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCO1 ZINC000356978144 381939896 /nfs/dbraw/zinc/93/98/96/381939896.db2.gz DIIZRRDYVVEAEX-GVDBMIGSSA-N 2 0 280.456 2.609 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@@H](C)C1 ZINC000362171456 381941604 /nfs/dbraw/zinc/94/16/04/381941604.db2.gz YAZNMOMYFBPATP-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccs1 ZINC000186567669 381949737 /nfs/dbraw/zinc/94/97/37/381949737.db2.gz UFCSOLIKVCWBBT-CABCVRRESA-N 2 0 295.496 2.815 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186736074 381997062 /nfs/dbraw/zinc/99/70/62/381997062.db2.gz FSXJGOIBUYXTLR-MRXNPFEDSA-N 2 0 281.488 2.715 20 0 CFADRP C[N@H+](CCOCC[NH3+])Cc1ccccc1-c1ccccc1 ZINC000357081135 382000871 /nfs/dbraw/zinc/00/08/71/382000871.db2.gz MXQCUDZOYQTEOP-UHFFFAOYSA-N 2 0 284.403 2.761 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357042761 381984318 /nfs/dbraw/zinc/98/43/18/381984318.db2.gz FZCHSSXHAIPRIW-MRXNPFEDSA-N 2 0 288.435 2.825 20 0 CFADRP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357051412 381989712 /nfs/dbraw/zinc/98/97/12/381989712.db2.gz NDIDWHNFSYDSIL-UONOGXRCSA-N 2 0 272.417 2.943 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000162976371 322371017 /nfs/dbraw/zinc/37/10/17/322371017.db2.gz IZIBHPIGPHGHGS-RISCZKNCSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1nc2ccc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2s1 ZINC000357057067 381991025 /nfs/dbraw/zinc/99/10/25/381991025.db2.gz UALJDHQIPRQFPU-UONOGXRCSA-N 2 0 287.432 2.646 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C[NH+]1CCCCC1 ZINC000374331504 382043422 /nfs/dbraw/zinc/04/34/22/382043422.db2.gz YTPGYUMNNYWBFE-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000343992092 382054334 /nfs/dbraw/zinc/05/43/34/382054334.db2.gz RDNHJOUJMSQLKT-HNNXBMFYSA-N 2 0 291.439 2.690 20 0 CFADRP CCCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000343921746 382020712 /nfs/dbraw/zinc/02/07/12/382020712.db2.gz HLYUQXOXZJNFNK-MSOLQXFVSA-N 2 0 290.451 2.964 20 0 CFADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417305819 382035528 /nfs/dbraw/zinc/03/55/28/382035528.db2.gz XYFDXQNIXONVQR-RWMBFGLXSA-N 2 0 252.427 2.781 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000293231230 382041005 /nfs/dbraw/zinc/04/10/05/382041005.db2.gz AVINMQFTZZULKE-CZUORRHYSA-N 2 0 276.424 2.860 20 0 CFADRP Cc1[nH+]ccc(NCC[N@H+]2CCC[C@H](C)C2)c1Cl ZINC000357321779 382107924 /nfs/dbraw/zinc/10/79/24/382107924.db2.gz GVKVHZBIMWMWJL-NSHDSACASA-N 2 0 267.804 2.609 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@H]1OC ZINC000344073023 382108346 /nfs/dbraw/zinc/10/83/46/382108346.db2.gz CJGGVHUMNVSGAN-HUUCEWRRSA-N 2 0 270.461 2.900 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCCC[NH+](C)C)C[C@@H]1OC ZINC000344071698 382108833 /nfs/dbraw/zinc/10/88/33/382108833.db2.gz KKMYORRKZPJODH-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP CCSCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376001696 382115416 /nfs/dbraw/zinc/11/54/16/382115416.db2.gz WBCJHOPTFMLYGA-UHFFFAOYSA-N 2 0 256.459 2.547 20 0 CFADRP COC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000187164566 382115920 /nfs/dbraw/zinc/11/59/20/382115920.db2.gz XMYGSJPQKUURCV-DLBZAZTESA-N 2 0 282.472 2.857 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000344085225 382119569 /nfs/dbraw/zinc/11/95/69/382119569.db2.gz PIPUGSRZTWGNFG-PVAVHDDUSA-N 2 0 280.456 2.798 20 0 CFADRP COCCCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000344098229 382128807 /nfs/dbraw/zinc/12/88/07/382128807.db2.gz HBAJAXYURFQBJQ-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP Cc1cccc(C)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028031 382075941 /nfs/dbraw/zinc/07/59/41/382075941.db2.gz LTWFNWUMCVARPW-UHFFFAOYSA-N 2 0 291.483 2.619 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)C[NH+](C)C ZINC000293352012 382090608 /nfs/dbraw/zinc/09/06/08/382090608.db2.gz HAMISNKNAAISNP-JHNDHUHGSA-N 2 0 260.425 2.966 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC1CCC1 ZINC000376513539 382138952 /nfs/dbraw/zinc/13/89/52/382138952.db2.gz FMTBVYWSNMPPQB-HNNXBMFYSA-N 2 0 266.429 2.506 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cccc(O)c1Cl ZINC000293521598 382155821 /nfs/dbraw/zinc/15/58/21/382155821.db2.gz BCAIKIQTHIEADY-AAEUAGOBSA-N 2 0 282.815 2.818 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376754053 382170387 /nfs/dbraw/zinc/17/03/87/382170387.db2.gz FBYPWBQGYDZGSR-NXHRZFHOSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCO1 ZINC000680338958 542306936 /nfs/dbraw/zinc/30/69/36/542306936.db2.gz MLVIWJDJKUKXOD-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000293627059 382203164 /nfs/dbraw/zinc/20/31/64/382203164.db2.gz JYXQAWQDHHFAQG-QWHCGFSZSA-N 2 0 280.412 2.552 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000377120534 382219970 /nfs/dbraw/zinc/21/99/70/382219970.db2.gz OZXOLFYITJHUJH-BJJXKVORSA-N 2 0 287.407 2.519 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](OC)[C@@H](C)CC)CC1 ZINC000362977085 382223785 /nfs/dbraw/zinc/22/37/85/382223785.db2.gz ONAAIGINOVQEHM-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000187626114 382229508 /nfs/dbraw/zinc/22/95/08/382229508.db2.gz XEFCCTOWFCRTHR-HNNXBMFYSA-N 2 0 276.424 2.655 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000363459973 382233505 /nfs/dbraw/zinc/23/35/05/382233505.db2.gz UZXZSVYQLMDPGK-KRWDZBQOSA-N 2 0 288.435 2.580 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000363451794 382233579 /nfs/dbraw/zinc/23/35/79/382233579.db2.gz XKUZBXKBSWELDL-QZTJIDSGSA-N 2 0 293.499 2.811 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](CCCCCO)CC2)CC1 ZINC000377519136 382282157 /nfs/dbraw/zinc/28/21/57/382282157.db2.gz LGLMSAAFRKSYKT-UHFFFAOYSA-N 2 0 282.472 2.593 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CC1(C)C ZINC000419316474 382283979 /nfs/dbraw/zinc/28/39/79/382283979.db2.gz QHHWYCPFWYOLLV-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC1(C)C ZINC000419316475 382284316 /nfs/dbraw/zinc/28/43/16/382284316.db2.gz QHHWYCPFWYOLLV-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H](O)C1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000344271984 382244092 /nfs/dbraw/zinc/24/40/92/382244092.db2.gz AQYIYUYLXFFQQB-OAHLLOKOSA-N 2 0 282.472 2.636 20 0 CFADRP CCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377269272 382246696 /nfs/dbraw/zinc/24/66/96/382246696.db2.gz XAOCZRFOXAXGLI-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC[NH+](CC)CCSCCC[NH+]1CCCCC1 ZINC000187690413 382248291 /nfs/dbraw/zinc/24/82/91/382248291.db2.gz YKHFYKVVPMEKJS-UHFFFAOYSA-N 2 0 258.475 2.937 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[NH+](C2CCCC2)CC1 ZINC000363877715 382249056 /nfs/dbraw/zinc/24/90/56/382249056.db2.gz FEBYXJSQKXXGOO-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000302497019 382257820 /nfs/dbraw/zinc/25/78/20/382257820.db2.gz SXTAGFVDSYBPGY-ZDUSSCGKSA-N 2 0 260.372 2.743 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000377397163 382264448 /nfs/dbraw/zinc/26/44/48/382264448.db2.gz JUJORPGBOMYLEO-GVDBMIGSSA-N 2 0 292.398 2.797 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CC2(O)CCC(C)CC2)CC1 ZINC000357672532 382273039 /nfs/dbraw/zinc/27/30/39/382273039.db2.gz BWBCRUBEIZIFIQ-UHFFFAOYSA-N 2 0 282.472 2.732 20 0 CFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352420302 382322032 /nfs/dbraw/zinc/32/20/32/382322032.db2.gz BEEZAEVGXMQOIL-TZMCWYRMSA-N 2 0 299.459 2.953 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000420294548 382346331 /nfs/dbraw/zinc/34/63/31/382346331.db2.gz BBDSQWNOVWWUPL-KCQAQPDRSA-N 2 0 262.397 2.610 20 0 CFADRP CC[NH+]1CCN(c2c(C)cnc3c(OC)cccc32)CC1 ZINC000302693968 382293812 /nfs/dbraw/zinc/29/38/12/382293812.db2.gz GDQNTQOJCMWWID-UHFFFAOYSA-N 2 0 285.391 2.694 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000345357661 382299513 /nfs/dbraw/zinc/29/95/13/382299513.db2.gz PTEJPOIPYFDKMV-RRFJBIMHSA-N 2 0 278.444 2.989 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@H]3CCCCO3)CC2)n1 ZINC000364647434 382348815 /nfs/dbraw/zinc/34/88/15/382348815.db2.gz RSLKSLIDFARMAS-MRXNPFEDSA-N 2 0 289.423 2.835 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000420299424 382349032 /nfs/dbraw/zinc/34/90/32/382349032.db2.gz GLXYZWZTQNXYFJ-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)CC[C@H]1CC[NH2+]C1 ZINC000420298694 382349705 /nfs/dbraw/zinc/34/97/05/382349705.db2.gz FTSWZEJMYYMBQT-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP COC1CCC(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000680469637 542328022 /nfs/dbraw/zinc/32/80/22/542328022.db2.gz GYYSNPMVCCPZAN-HPUBIQBYSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)(CCCO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000357851450 382349935 /nfs/dbraw/zinc/34/99/35/382349935.db2.gz NEBXNEOOATUROF-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)CC2(C)C)cc1 ZINC000420300987 382351024 /nfs/dbraw/zinc/35/10/24/382351024.db2.gz KUYWGJWQLVLIEE-UKRRQHHQSA-N 2 0 276.424 2.858 20 0 CFADRP COc1ccc(Cl)cc1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420303425 382353266 /nfs/dbraw/zinc/35/32/66/382353266.db2.gz KHPIJYMGGCCVFN-LBPRGKRZSA-N 2 0 282.815 2.780 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H](C)[NH3+])[C@H](C)C2CC2)cc1 ZINC000420302918 382353932 /nfs/dbraw/zinc/35/39/32/382353932.db2.gz JZXPYSOXDVBEKX-CHWSQXEVSA-N 2 0 262.397 2.643 20 0 CFADRP COc1cccc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420304502 382354004 /nfs/dbraw/zinc/35/40/04/382354004.db2.gz OQSSTBSGTDIBCN-HNNXBMFYSA-N 2 0 288.435 2.874 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000357862527 382354341 /nfs/dbraw/zinc/35/43/41/382354341.db2.gz YNUHSJNCWHEOEF-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420305915 382356257 /nfs/dbraw/zinc/35/62/57/382356257.db2.gz KSDARQBKQWMOLX-NWDGAFQWSA-N 2 0 250.411 2.578 20 0 CFADRP CC[N@@H+](Cc1ccccn1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420308633 382357037 /nfs/dbraw/zinc/35/70/37/382357037.db2.gz DCDCMXRGXSRYTA-MRXNPFEDSA-N 2 0 299.418 2.655 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000420307942 382357431 /nfs/dbraw/zinc/35/74/31/382357431.db2.gz JGNPSLZWOCASER-NSHDSACASA-N 2 0 265.426 2.581 20 0 CFADRP CCC[N@H+](CCOc1cccc(OC)c1)C1CC[NH2+]CC1 ZINC000420310343 382358095 /nfs/dbraw/zinc/35/80/95/382358095.db2.gz FWSDNQJYSOOPPY-UHFFFAOYSA-N 2 0 292.423 2.538 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420307493 382358465 /nfs/dbraw/zinc/35/84/65/382358465.db2.gz IRWYXGLEDKNZLY-ZDUSSCGKSA-N 2 0 264.438 2.969 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420311325 382359850 /nfs/dbraw/zinc/35/98/50/382359850.db2.gz GVROANCDHKMCLD-NWDGAFQWSA-N 2 0 250.411 2.578 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCCCC1 ZINC000346438668 382361361 /nfs/dbraw/zinc/36/13/61/382361361.db2.gz IDKFAKFXNLSTCW-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(F)c1 ZINC000420316011 382362258 /nfs/dbraw/zinc/36/22/58/382362258.db2.gz MDMILLVCZSDJAD-ZDUSSCGKSA-N 2 0 250.361 2.647 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420313576 382362446 /nfs/dbraw/zinc/36/24/46/382362446.db2.gz YCBWRFILZNEXFJ-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP COCC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000420317641 382363788 /nfs/dbraw/zinc/36/37/88/382363788.db2.gz NORYRZYDIVZGBO-HZPDHXFCSA-N 2 0 276.424 2.696 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)on1 ZINC000420320480 382366611 /nfs/dbraw/zinc/36/66/11/382366611.db2.gz QHRZQVOJCVPAJM-ZIAGYGMSSA-N 2 0 263.385 2.510 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000420321152 382366636 /nfs/dbraw/zinc/36/66/36/382366636.db2.gz QUSLEMXYXUPNOC-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP CCOC(=O)CCCCC[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000420319145 382367024 /nfs/dbraw/zinc/36/70/24/382367024.db2.gz XERKIQCYBQBNFO-HNNXBMFYSA-N 2 0 284.444 2.574 20 0 CFADRP C[C@H](c1ccccc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323144 382369252 /nfs/dbraw/zinc/36/92/52/382369252.db2.gz AVGHTXCSTUHDBQ-JLZZUVOBSA-N 2 0 292.398 2.715 20 0 CFADRP c1csc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCCC2)n1 ZINC000420326800 382370451 /nfs/dbraw/zinc/37/04/51/382370451.db2.gz XRSBVMDMICNTIP-LBPRGKRZSA-N 2 0 265.426 2.502 20 0 CFADRP CC[C@@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420327790 382371024 /nfs/dbraw/zinc/37/10/24/382371024.db2.gz YSTUMMUHVNAQKZ-ZBFHGGJFSA-N 2 0 276.424 2.860 20 0 CFADRP CC[C@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420327789 382371647 /nfs/dbraw/zinc/37/16/47/382371647.db2.gz YSTUMMUHVNAQKZ-HOCLYGCPSA-N 2 0 276.424 2.860 20 0 CFADRP CCCN(C[C@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420327005 382371732 /nfs/dbraw/zinc/37/17/32/382371732.db2.gz YECDDHOKLTUEKZ-WMZOPIPTSA-N 2 0 289.467 2.710 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000346459597 382372640 /nfs/dbraw/zinc/37/26/40/382372640.db2.gz MHDYPHGUQQXIAQ-TWMKSMIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCc1ccc2ccccc2c1)C1CC([NH3+])C1 ZINC000420330676 382372677 /nfs/dbraw/zinc/37/26/77/382372677.db2.gz LNQMVKGWOOOQMH-UHFFFAOYSA-N 2 0 254.377 2.804 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420329509 382372713 /nfs/dbraw/zinc/37/27/13/382372713.db2.gz OLKMNQLTZQJHNG-CABCVRRESA-N 2 0 292.398 2.526 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331900 382373140 /nfs/dbraw/zinc/37/31/40/382373140.db2.gz MTSDGSOLEBOHOU-CABCVRRESA-N 2 0 268.445 2.641 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344533 382377153 /nfs/dbraw/zinc/37/71/53/382377153.db2.gz UAYUMRAVWHPFGL-IRXDYDNUSA-N 2 0 258.409 2.551 20 0 CFADRP Clc1cccc(O[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000420352299 382379003 /nfs/dbraw/zinc/37/90/03/382379003.db2.gz AADPJDTZENKXMB-XJKSGUPXSA-N 2 0 294.826 2.793 20 0 CFADRP Cc1nc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cs1 ZINC000420357517 382380672 /nfs/dbraw/zinc/38/06/72/382380672.db2.gz IAHMWYYUBLRZKD-OAHLLOKOSA-N 2 0 279.453 2.978 20 0 CFADRP Cc1ccccc1CCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420354896 382380696 /nfs/dbraw/zinc/38/06/96/382380696.db2.gz DHHYDHZQKWYRBY-MRXNPFEDSA-N 2 0 260.425 2.905 20 0 CFADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000420355700 382380809 /nfs/dbraw/zinc/38/08/09/382380809.db2.gz FOFJBALKEABGLY-CQSZACIVSA-N 2 0 258.409 2.779 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420397804 382397912 /nfs/dbraw/zinc/39/79/12/382397912.db2.gz GHKCASRJTVVZPF-MNOVXSKESA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H](C[N@H+](C)CC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000420359788 382382070 /nfs/dbraw/zinc/38/20/70/382382070.db2.gz KUZCCGDTDHBKLX-CHWSQXEVSA-N 2 0 267.442 2.568 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420399357 382398001 /nfs/dbraw/zinc/39/80/01/382398001.db2.gz NZENXHIFENNAEA-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)(C)n1cc(C[N@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352534467 382382933 /nfs/dbraw/zinc/38/29/33/382382933.db2.gz GVKYFYQRDRMVFX-UHFFFAOYSA-N 2 0 292.471 2.979 20 0 CFADRP Clc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420363211 382385099 /nfs/dbraw/zinc/38/50/99/382385099.db2.gz BJZSQYRLSHFVSR-IAQYHMDHSA-N 2 0 264.800 2.990 20 0 CFADRP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420364155 382385149 /nfs/dbraw/zinc/38/51/49/382385149.db2.gz CSJBPPSJZJXAAP-HZPDHXFCSA-N 2 0 298.434 2.500 20 0 CFADRP C[NH+](C)CCCN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346494487 382385797 /nfs/dbraw/zinc/38/57/97/382385797.db2.gz UOSNFTUJIHRTJL-QGZVFWFLSA-N 2 0 287.382 2.851 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000420364140 382385907 /nfs/dbraw/zinc/38/59/07/382385907.db2.gz CRBDWNCSKAGYBM-DZGCQCFKSA-N 2 0 289.423 2.685 20 0 CFADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420364153 382385934 /nfs/dbraw/zinc/38/59/34/382385934.db2.gz CSJBPPSJZJXAAP-HOTGVXAUSA-N 2 0 298.434 2.500 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000420396715 382398230 /nfs/dbraw/zinc/39/82/30/382398230.db2.gz WEOIRNPCMSKFQX-DLBZAZTESA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+]CC[C@H]1CCCCN1Cc1ncccc1C(F)(F)F ZINC000352540168 382386725 /nfs/dbraw/zinc/38/67/25/382386725.db2.gz HUJUCJBFIULINV-LLVKDONJSA-N 2 0 287.329 2.804 20 0 CFADRP CCCOc1ccc2c(c1)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420365707 382386989 /nfs/dbraw/zinc/38/69/89/382386989.db2.gz FEKPHHBHGMOMKM-OAHLLOKOSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH3+])c1cc(F)c(Cl)cc1Cl ZINC000420365102 382387805 /nfs/dbraw/zinc/38/78/05/382387805.db2.gz DNQJBZZPCAIXCI-MRVPVSSYSA-N 2 0 295.185 2.758 20 0 CFADRP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397124 382398368 /nfs/dbraw/zinc/39/83/68/382398368.db2.gz MNYFJVGAWBKSBV-HOTGVXAUSA-N 2 0 298.434 2.607 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420397806 382398403 /nfs/dbraw/zinc/39/84/03/382398403.db2.gz GHKCASRJTVVZPF-WDEREUQCSA-N 2 0 254.324 2.615 20 0 CFADRP Cc1ccc([C@H]([NH2+]CCOCC[NH3+])c2ccccc2)cc1 ZINC000420371018 382390499 /nfs/dbraw/zinc/39/04/99/382390499.db2.gz JZWWKVZYYFYZRH-GOSISDBHSA-N 2 0 284.403 2.649 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420373561 382390653 /nfs/dbraw/zinc/39/06/53/382390653.db2.gz MMSOWKNPKLVBGV-MNOVXSKESA-N 2 0 270.323 2.548 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000352545966 382390682 /nfs/dbraw/zinc/39/06/82/382390682.db2.gz NVRUBYRSMKZWAA-MRXNPFEDSA-N 2 0 284.407 2.576 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000188112751 382346492 /nfs/dbraw/zinc/34/64/92/382346492.db2.gz NHJFDIGFQKVEJV-FMKPAKJESA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000188112800 382346514 /nfs/dbraw/zinc/34/65/14/382346514.db2.gz NHJFDIGFQKVEJV-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000420296809 382347707 /nfs/dbraw/zinc/34/77/07/382347707.db2.gz FAAXRFMNVXUJPE-INIZCTEOSA-N 2 0 288.435 2.858 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)ccc1SC ZINC000420297511 382347910 /nfs/dbraw/zinc/34/79/10/382347910.db2.gz GAZSAAFBWMJHFH-CYBMUJFWSA-N 2 0 294.464 2.849 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305143925 382428063 /nfs/dbraw/zinc/42/80/63/382428063.db2.gz REITWMIWCFNMDQ-BZUAXINKSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)CCC(C)C)CC1 ZINC000305180644 382432169 /nfs/dbraw/zinc/43/21/69/382432169.db2.gz WDOFGYHQUPYWFA-MRXNPFEDSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000358084186 382443936 /nfs/dbraw/zinc/44/39/36/382443936.db2.gz LVQVEEFGXZTMAO-CZUORRHYSA-N 2 0 271.408 2.640 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000365475882 382399014 /nfs/dbraw/zinc/39/90/14/382399014.db2.gz OSJXYCIDBYOEDC-OAHLLOKOSA-N 2 0 278.444 2.554 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000357988974 382399037 /nfs/dbraw/zinc/39/90/37/382399037.db2.gz GBOMZAKCKAODSL-YOEHRIQHSA-N 2 0 283.419 2.707 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420404199 382400125 /nfs/dbraw/zinc/40/01/25/382400125.db2.gz LXNHTHBHZYTLOV-KCQAQPDRSA-N 2 0 264.413 2.762 20 0 CFADRP Cc1cccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)C(C)(C)C)c1 ZINC000420413147 382402992 /nfs/dbraw/zinc/40/29/92/382402992.db2.gz SQPCLNSGFPXTSA-QGZVFWFLSA-N 2 0 289.467 2.577 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420415718 382403970 /nfs/dbraw/zinc/40/39/70/382403970.db2.gz VCVREJDLTKOFKS-WMLDXEAASA-N 2 0 260.425 2.708 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352671220 382446615 /nfs/dbraw/zinc/44/66/15/382446615.db2.gz HYNWDUDXNDAOFY-DLBZAZTESA-N 2 0 285.391 2.526 20 0 CFADRP C([C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1)N1CCCCC1 ZINC000365518449 382407314 /nfs/dbraw/zinc/40/73/14/382407314.db2.gz WDAJJDMXWHNLQQ-GJZGRUSLSA-N 2 0 268.470 2.690 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000346634739 382446847 /nfs/dbraw/zinc/44/68/47/382446847.db2.gz GLHAKOMAQQQSQD-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP CC(C)(C)OC1CC([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000352699605 382449997 /nfs/dbraw/zinc/44/99/97/382449997.db2.gz BEWPNGPGYKLVCP-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP Fc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000358102093 382452634 /nfs/dbraw/zinc/45/26/34/382452634.db2.gz VNFZXCNOSAALOO-SQWLQELKSA-N 2 0 290.382 2.866 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nccn3C)c2)CC[N@@H+]1C ZINC000378393486 382454237 /nfs/dbraw/zinc/45/42/37/382454237.db2.gz VYIOEYWXTYUOPU-RHSMWYFYSA-N 3 0 298.434 2.659 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000346650692 382456033 /nfs/dbraw/zinc/45/60/33/382456033.db2.gz PYCRATAGKYCBKP-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000346655406 382457532 /nfs/dbraw/zinc/45/75/32/382457532.db2.gz ZVMCVRGTHHYMKM-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([NH3+])CC1 ZINC000346660615 382459469 /nfs/dbraw/zinc/45/94/69/382459469.db2.gz VPGMZYLJUYIOPD-UHFFFAOYSA-N 2 0 289.467 2.568 20 0 CFADRP CC[NH+](CC)CC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000358144579 382467754 /nfs/dbraw/zinc/46/77/54/382467754.db2.gz CWIFXJXZQLWINB-UHFFFAOYSA-N 2 0 261.413 2.948 20 0 CFADRP c1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)[C@H]2CCOC2)cc1 ZINC000378501130 382475051 /nfs/dbraw/zinc/47/50/51/382475051.db2.gz MFHNHJSPZDKNBZ-ZWKOTPCHSA-N 2 0 288.435 2.840 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1N(C)C ZINC000346692866 382476319 /nfs/dbraw/zinc/47/63/19/382476319.db2.gz JLDDJMNSRHJZCM-OAHLLOKOSA-N 2 0 263.429 2.558 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000358161315 382478534 /nfs/dbraw/zinc/47/85/34/382478534.db2.gz WWIXKNXBBBHBKK-CZUORRHYSA-N 2 0 272.392 2.905 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000346695168 382480576 /nfs/dbraw/zinc/48/05/76/382480576.db2.gz YQISNRIQOYFWNH-KDOFPFPSSA-N 2 0 281.403 2.918 20 0 CFADRP Clc1cnn(C2CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000378590423 382487080 /nfs/dbraw/zinc/48/70/80/382487080.db2.gz QFFXUXCFAOFECH-UHFFFAOYSA-N 2 0 296.846 2.659 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)[C@H](C)C1 ZINC000358189520 382496764 /nfs/dbraw/zinc/49/67/64/382496764.db2.gz MXSJKXSYIFJTJZ-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CCOC)Cc2ccco2)CC1 ZINC000346818779 382528096 /nfs/dbraw/zinc/52/80/96/382528096.db2.gz WSLVTAFUQNBFAR-MRXNPFEDSA-N 2 0 294.439 2.691 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc(Cl)c1 ZINC000358209439 382506164 /nfs/dbraw/zinc/50/61/64/382506164.db2.gz XDKYIQZYCGVRKW-DAXOMENPSA-N 2 0 296.842 2.957 20 0 CFADRP CSC1(C[NH2+]CC2CCCCC2)CC[NH+](C)CC1 ZINC000353210515 382528319 /nfs/dbraw/zinc/52/83/19/382528319.db2.gz MJUAGACGDAUBDC-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379621115 382507231 /nfs/dbraw/zinc/50/72/31/382507231.db2.gz FBKRBYVPBQMDDA-JFIYKMOQSA-N 2 0 289.467 2.757 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000366597985 382528327 /nfs/dbraw/zinc/52/83/27/382528327.db2.gz MRKSJMWFNYMZRZ-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCN1C ZINC000346797519 382515997 /nfs/dbraw/zinc/51/59/97/382515997.db2.gz OAACNTSHEZTNFB-XFBWCDHKSA-N 2 0 278.827 2.880 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCC3CCOCC3)C2)C1 ZINC000366483545 382516936 /nfs/dbraw/zinc/51/69/36/382516936.db2.gz QDYVUPUHYRGBGW-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000188985030 382518091 /nfs/dbraw/zinc/51/80/91/382518091.db2.gz WQSRQRREAZCBSW-IRXDYDNUSA-N 2 0 260.425 2.939 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000383369306 382543220 /nfs/dbraw/zinc/54/32/20/382543220.db2.gz IAYXHMFFSKQGIQ-XJKSGUPXSA-N 2 0 294.826 2.793 20 0 CFADRP CC[NH+](CC)CCN(Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346849242 382543969 /nfs/dbraw/zinc/54/39/69/382543969.db2.gz RYIRLZUMJIBPSW-UHFFFAOYSA-N 2 0 277.456 2.568 20 0 CFADRP C[C@@H](C[NH2+]C[C@]1(C)CCCS1)C[NH+]1CCCC1 ZINC000327872677 382545438 /nfs/dbraw/zinc/54/54/38/382545438.db2.gz KFJUDFXNAMCHSN-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)CC1 ZINC000680649913 542347289 /nfs/dbraw/zinc/34/72/89/542347289.db2.gz GYKUDQZEIBNJLK-YUELXQCFSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCCC[C@H]1C ZINC000353458391 382546838 /nfs/dbraw/zinc/54/68/38/382546838.db2.gz CPFSWFOYSFQAAA-ZKXLYKBJSA-N 2 0 293.499 2.712 20 0 CFADRP CCc1nc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000328339047 382547057 /nfs/dbraw/zinc/54/70/57/382547057.db2.gz KVDDWCIFOGZONQ-NEPJUHHUSA-N 2 0 267.442 2.525 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)c2ccccc21 ZINC000384115117 382548101 /nfs/dbraw/zinc/54/81/01/382548101.db2.gz IEEFXMNUEYINFX-DFBGVHRSSA-N 2 0 262.422 2.864 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000384119638 382548301 /nfs/dbraw/zinc/54/83/01/382548301.db2.gz NNQJRJVTEQOQMN-ZWKOTPCHSA-N 2 0 290.451 2.899 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC2CCOCC2)[C@@H](C)C1 ZINC000346932390 382576217 /nfs/dbraw/zinc/57/62/17/382576217.db2.gz MKCZZKHHMNMHQI-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358287143 382548673 /nfs/dbraw/zinc/54/86/73/382548673.db2.gz AJEKALBPDSXCCL-LTIDMASMSA-N 2 0 280.456 2.534 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189128904 382550931 /nfs/dbraw/zinc/55/09/31/382550931.db2.gz YLQZGQFKMFZXPP-RDJZCZTQSA-N 2 0 292.467 2.800 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358293742 382552963 /nfs/dbraw/zinc/55/29/63/382552963.db2.gz BMTSEZKJXRESKV-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353528628 382557341 /nfs/dbraw/zinc/55/73/41/382557341.db2.gz ODOGGEPUAYQTQW-YWWDTZIBSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000353559168 382559760 /nfs/dbraw/zinc/55/97/60/382559760.db2.gz ZOLGNIOALKECKY-USXIJHARSA-N 2 0 258.409 2.674 20 0 CFADRP CC1CCC([NH+]2CCC([NH2+]CC3(C)COC3)CC2)CC1 ZINC000367231105 382561629 /nfs/dbraw/zinc/56/16/29/382561629.db2.gz MHUYJOFHMHLFOR-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP c1c2ccccc2[nH]c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358310567 382561811 /nfs/dbraw/zinc/56/18/11/382561811.db2.gz YDPJZIZLSXTMHG-WBVHZDCISA-N 2 0 283.419 2.927 20 0 CFADRP CC1=CC[N@H+](CCNc2cc[nH+]c3ccccc23)CC1 ZINC000358322636 382567390 /nfs/dbraw/zinc/56/73/90/382567390.db2.gz RIMWTGSHYUKLGA-UHFFFAOYSA-N 2 0 267.376 2.721 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000358326237 382569670 /nfs/dbraw/zinc/56/96/70/382569670.db2.gz ZSWUQQFWYSNEFV-IGCXYCKISA-N 2 0 274.408 2.535 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)C1(C)C ZINC000367439819 382570433 /nfs/dbraw/zinc/57/04/33/382570433.db2.gz XINYYSGCOVESQK-KBPBESRZSA-N 2 0 277.412 2.513 20 0 CFADRP FCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000367446593 382570664 /nfs/dbraw/zinc/57/06/64/382570664.db2.gz FYLKRWYUCXOYHC-OAHLLOKOSA-N 2 0 256.409 2.934 20 0 CFADRP CCOC(=O)C[C@](C)([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000189241890 382572224 /nfs/dbraw/zinc/57/22/24/382572224.db2.gz OLSSBQRTFZPUOI-KRWDZBQOSA-N 2 0 298.471 2.820 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@@H]12 ZINC000346828963 382533045 /nfs/dbraw/zinc/53/30/45/382533045.db2.gz NXSCPBMPYMWZQH-KZNAEPCWSA-N 2 0 293.414 2.918 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000353624709 382584178 /nfs/dbraw/zinc/58/41/78/382584178.db2.gz UUCHHADVCUGQNI-QBPKDAKJSA-N 2 0 294.483 2.638 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353631301 382585967 /nfs/dbraw/zinc/58/59/67/382585967.db2.gz LESDFZPXOSGJBW-KZNAEPCWSA-N 2 0 288.435 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)[C@@H]2CCC[C@H]21 ZINC000353631602 382587300 /nfs/dbraw/zinc/58/73/00/382587300.db2.gz MERQWEFAYHFJGK-OKZBNKHCSA-N 2 0 286.419 2.679 20 0 CFADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1OC ZINC000387205241 382597100 /nfs/dbraw/zinc/59/71/00/382597100.db2.gz IJEOLFAMCKFQEW-UHFFFAOYSA-N 2 0 294.439 2.914 20 0 CFADRP COc1ccc(OC)c(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000387210971 382597116 /nfs/dbraw/zinc/59/71/16/382597116.db2.gz JPLKYUFKSHRTBU-UHFFFAOYSA-N 2 0 294.439 2.914 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000295246744 382598124 /nfs/dbraw/zinc/59/81/24/382598124.db2.gz PUJLJZSIRJWUED-GUYCJALGSA-N 2 0 297.402 2.681 20 0 CFADRP CC(C)OC1CC([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000189533451 382621340 /nfs/dbraw/zinc/62/13/40/382621340.db2.gz FSJXNFXNVVEKBT-QQFBHYJXSA-N 2 0 268.445 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c[nH]nc32)C[C@@H]1C ZINC000353752385 382626214 /nfs/dbraw/zinc/62/62/14/382626214.db2.gz LCIMFSHVXCVKMY-BBRMVZONSA-N 2 0 286.423 2.868 20 0 CFADRP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385921228 382581053 /nfs/dbraw/zinc/58/10/53/382581053.db2.gz AIQUQJVDSBQIQE-TWMKSMIVSA-N 2 0 281.488 2.617 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000386106875 382583453 /nfs/dbraw/zinc/58/34/53/382583453.db2.gz KUXCIISSMWYLNQ-IUODEOHRSA-N 2 0 250.361 2.551 20 0 CFADRP Cc1cncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000189982226 382648231 /nfs/dbraw/zinc/64/82/31/382648231.db2.gz PVTDAMQSMCKCCZ-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000191840388 382702787 /nfs/dbraw/zinc/70/27/87/382702787.db2.gz UILWFLVTADTTEQ-JKSUJKDBSA-N 2 0 278.444 2.688 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000192453321 382709169 /nfs/dbraw/zinc/70/91/69/382709169.db2.gz CMGCLDBNPTZUFB-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3(O)CCCC3)C2)CC1 ZINC000336837424 382729728 /nfs/dbraw/zinc/72/97/28/382729728.db2.gz DVMMKOMJVMRMRL-KRWDZBQOSA-N 2 0 294.483 2.735 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC000337190803 382773444 /nfs/dbraw/zinc/77/34/44/382773444.db2.gz SBJAUNCGJYQDEW-UHFFFAOYSA-N 2 0 270.461 2.591 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000211116747 382774689 /nfs/dbraw/zinc/77/46/89/382774689.db2.gz KSHXDTRRDPYWDQ-MRXNPFEDSA-N 2 0 278.827 2.739 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337211275 382778004 /nfs/dbraw/zinc/77/80/04/382778004.db2.gz AIJJKNHTVNOMOO-FUHWJXTLSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)C[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337250157 382785902 /nfs/dbraw/zinc/78/59/02/382785902.db2.gz MJAGCFRRDNMNDR-GOSISDBHSA-N 2 0 295.515 2.771 20 0 CFADRP C[C@H](CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc(Cl)c1 ZINC000194543092 382747735 /nfs/dbraw/zinc/74/77/35/382747735.db2.gz SJLMXKKEVNIGGG-YUELXQCFSA-N 2 0 278.827 2.937 20 0 CFADRP Cc1oc2ccccc2c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194538949 382747821 /nfs/dbraw/zinc/74/78/21/382747821.db2.gz YPBPMQSIMGGFSN-OKILXGFUSA-N 2 0 270.376 2.735 20 0 CFADRP Cc1ccc(CC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337278172 382792560 /nfs/dbraw/zinc/79/25/60/382792560.db2.gz SJGFZAFKPLTVGL-UHFFFAOYSA-N 2 0 260.425 2.955 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@H]21 ZINC000228476731 382846957 /nfs/dbraw/zinc/84/69/57/382846957.db2.gz FOGTWZMVRURUBO-DJIMGWMZSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]21 ZINC000228472849 382847040 /nfs/dbraw/zinc/84/70/40/382847040.db2.gz IMGQTMAGUOSVGG-WDBKCZKBSA-N 2 0 266.335 2.524 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000228597206 382848217 /nfs/dbraw/zinc/84/82/17/382848217.db2.gz JTWHQWRQRVVUJM-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000337295170 382796286 /nfs/dbraw/zinc/79/62/86/382796286.db2.gz ABSHSLBPFDDYAW-PIIMJCKOSA-N 2 0 295.515 2.817 20 0 CFADRP COc1ncccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000575731995 382797232 /nfs/dbraw/zinc/79/72/32/382797232.db2.gz WQGUKHDBIZNSBI-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000575744669 382797626 /nfs/dbraw/zinc/79/76/26/382797626.db2.gz FFSQKAYBWUDOAF-IAGOWNOFSA-N 2 0 291.439 2.863 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229056857 382849984 /nfs/dbraw/zinc/84/99/84/382849984.db2.gz NIUOUCJKEMQMEF-RYUDHWBXSA-N 2 0 252.427 2.727 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000575859763 382801614 /nfs/dbraw/zinc/80/16/14/382801614.db2.gz JOQVPBJFDOIFSS-NVXWUHKLSA-N 2 0 281.488 2.619 20 0 CFADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(C)C ZINC000337330642 382803074 /nfs/dbraw/zinc/80/30/74/382803074.db2.gz GNDANSLLRHJPQZ-UHFFFAOYSA-N 2 0 283.504 2.771 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000337331200 382803635 /nfs/dbraw/zinc/80/36/35/382803635.db2.gz HCPQYJXZDOFBBS-OAHLLOKOSA-N 2 0 294.439 2.530 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000337338957 382805271 /nfs/dbraw/zinc/80/52/71/382805271.db2.gz OFLQMQGWYPSWQD-CABCVRRESA-N 2 0 256.434 2.510 20 0 CFADRP CCCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000337340240 382805843 /nfs/dbraw/zinc/80/58/43/382805843.db2.gz SMGCBJQFGUYKLZ-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000337349126 382807622 /nfs/dbraw/zinc/80/76/22/382807622.db2.gz ZTAFGNNUWFBUEM-CQSZACIVSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1COCCN1)c1ccccc1 ZINC000229194785 382850642 /nfs/dbraw/zinc/85/06/42/382850642.db2.gz VMZFZQFAXXXDPD-PVAVHDDUSA-N 2 0 276.424 2.740 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576172551 382813299 /nfs/dbraw/zinc/81/32/99/382813299.db2.gz PSRQEDOAUGREOG-CABCVRRESA-N 2 0 261.413 2.738 20 0 CFADRP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000577184681 382850751 /nfs/dbraw/zinc/85/07/51/382850751.db2.gz RJNPRKCIZGQZBY-DZGCQCFKSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)oc1C ZINC000337403434 382815786 /nfs/dbraw/zinc/81/57/86/382815786.db2.gz QVLAVRPNMXXCIU-HNNXBMFYSA-N 2 0 293.455 2.575 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000337428894 382819351 /nfs/dbraw/zinc/81/93/51/382819351.db2.gz UDTQNAPFQGHGDB-FGTMMUONSA-N 2 0 295.515 2.769 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NCc1ccncc1OCc1ccccc1 ZINC000576386365 382820724 /nfs/dbraw/zinc/82/07/24/382820724.db2.gz JBPSLUCOAYNEMM-DLBZAZTESA-N 2 0 297.402 2.630 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC000576413834 382822429 /nfs/dbraw/zinc/82/24/29/382822429.db2.gz KLRSZRMCUAEBKG-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000576475476 382824057 /nfs/dbraw/zinc/82/40/57/382824057.db2.gz DRGYPHLIEXQFGO-CZUORRHYSA-N 2 0 274.408 2.787 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000576478875 382824139 /nfs/dbraw/zinc/82/41/39/382824139.db2.gz FWGQGVWYETYFQN-WXHSDQCUSA-N 2 0 268.351 2.928 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337471631 382826489 /nfs/dbraw/zinc/82/64/89/382826489.db2.gz NVMVFRNSDMXTOY-ZJIFWQFVSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326480 382826697 /nfs/dbraw/zinc/82/66/97/382826697.db2.gz HEZBLZDWBSPGPF-STQMWFEESA-N 2 0 250.361 2.948 20 0 CFADRP CC[C@@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000337480768 382828080 /nfs/dbraw/zinc/82/80/80/382828080.db2.gz VQXOWYHSKBMGCF-OIISXLGYSA-N 2 0 258.409 2.849 20 0 CFADRP Fc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC000226435531 382828706 /nfs/dbraw/zinc/82/87/06/382828706.db2.gz QTZARVUKKNEQJK-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CCC[NH2+]C1 ZINC000226435014 382828873 /nfs/dbraw/zinc/82/88/73/382828873.db2.gz XIKRARFYFLJWEU-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP CCCOc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000576607361 382829056 /nfs/dbraw/zinc/82/90/56/382829056.db2.gz VBJKACXPFUXSCO-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000337491722 382831236 /nfs/dbraw/zinc/83/12/36/382831236.db2.gz WRXAMQZFLJUSFW-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)c2ccccc21 ZINC000576695446 382832483 /nfs/dbraw/zinc/83/24/83/382832483.db2.gz RZTNHLNPZJBXQT-OLZOCXBDSA-N 2 0 288.313 2.690 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227067662 382832637 /nfs/dbraw/zinc/83/26/37/382832637.db2.gz FOPAUCKFXIXOTP-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000227497514 382837289 /nfs/dbraw/zinc/83/72/89/382837289.db2.gz ZSFOQRSUUUMEOM-ZDUSSCGKSA-N 2 0 268.445 2.654 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000337536214 382838465 /nfs/dbraw/zinc/83/84/65/382838465.db2.gz YDKGJIMRKXWHID-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000576992082 382843714 /nfs/dbraw/zinc/84/37/14/382843714.db2.gz DZSAFLXSACCZIL-SJORKVTESA-N 2 0 260.425 2.939 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc2cccnc12 ZINC000578244728 382904550 /nfs/dbraw/zinc/90/45/50/382904550.db2.gz GMTCDWXVILECBV-CZUORRHYSA-N 2 0 269.392 2.855 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]21 ZINC000230046929 382855319 /nfs/dbraw/zinc/85/53/19/382855319.db2.gz ZNVAVYNCNBCNLW-VHDGCEQUSA-N 2 0 264.800 2.899 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441347478 382909052 /nfs/dbraw/zinc/90/90/52/382909052.db2.gz PKTRNZQTHNKVBA-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000337764189 382862921 /nfs/dbraw/zinc/86/29/21/382862921.db2.gz RHCNJTBRHBVJPU-OAHLLOKOSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000577682000 382867168 /nfs/dbraw/zinc/86/71/68/382867168.db2.gz KNWSJVOPEOAFHD-ZFWWWQNUSA-N 2 0 290.455 2.546 20 0 CFADRP CC1CC[NH+](Cc2ccc(NC(=O)C(C)(C)[NH3+])cc2)CC1 ZINC000236713202 382909921 /nfs/dbraw/zinc/90/99/21/382909921.db2.gz VYTIQZVXGMAQMC-UHFFFAOYSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000578337449 382912650 /nfs/dbraw/zinc/91/26/50/382912650.db2.gz GPMMSCNRYYGFKV-KURKYZTESA-N 2 0 287.451 2.683 20 0 CFADRP Cc1ncc(C[NH2+]Cc2ccccc2OCC2CC2)n1C ZINC000577963977 382877862 /nfs/dbraw/zinc/87/78/62/382877862.db2.gz VCQMBISCPISKSH-UHFFFAOYSA-N 2 0 285.391 2.807 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000235439881 382880829 /nfs/dbraw/zinc/88/08/29/382880829.db2.gz OYMMYTJJIRMEFU-ZDUSSCGKSA-N 2 0 288.313 2.756 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337987714 382890501 /nfs/dbraw/zinc/89/05/01/382890501.db2.gz GWKDYUXVMUKLFJ-MSOLQXFVSA-N 2 0 293.499 2.572 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337989902 382891564 /nfs/dbraw/zinc/89/15/64/382891564.db2.gz RTOHZMVFNLKTAD-DLBZAZTESA-N 2 0 299.478 2.522 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000578187222 382897466 /nfs/dbraw/zinc/89/74/66/382897466.db2.gz VDGTUQAAUQQFJZ-QGZVFWFLSA-N 2 0 282.472 2.638 20 0 CFADRP COC1([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)CCCCC1 ZINC000421833148 382938528 /nfs/dbraw/zinc/93/85/28/382938528.db2.gz IGWQPMYPOQAXGJ-AWEZNQCLSA-N 2 0 266.429 2.576 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421834228 382938874 /nfs/dbraw/zinc/93/88/74/382938874.db2.gz ORBWVGYOIGEHDK-CHWSQXEVSA-N 2 0 299.846 2.742 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)[C@@H]1C ZINC000494922376 382941157 /nfs/dbraw/zinc/94/11/57/382941157.db2.gz LGLAZLWJYQBISQ-CKEIUWERSA-N 2 0 276.424 2.761 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578668754 382943994 /nfs/dbraw/zinc/94/39/94/382943994.db2.gz OHNNNGUBPNARPC-GJZGRUSLSA-N 2 0 264.438 2.909 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000422953474 532964145 /nfs/dbraw/zinc/96/41/45/532964145.db2.gz FNWLDOGNTNWUBH-BDAKNGLRSA-N 2 0 289.192 2.804 20 0 CFADRP [NH3+][C@@H]1CCCCCC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000442771034 382953189 /nfs/dbraw/zinc/95/31/89/382953189.db2.gz OYZGDIMAKCWLEA-NWDGAFQWSA-N 2 0 278.400 2.563 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421867800 382954327 /nfs/dbraw/zinc/95/43/27/382954327.db2.gz CJDAJGAKPQEZPO-KBUPBQIOSA-N 2 0 282.497 2.838 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421877239 382957972 /nfs/dbraw/zinc/95/79/72/382957972.db2.gz LNDTVRCPCZXCCV-IUDNXUCKSA-N 2 0 261.413 2.913 20 0 CFADRP C(=C\c1ccncc1)\C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000495077136 382958211 /nfs/dbraw/zinc/95/82/11/382958211.db2.gz DHZSNNQXVWZSGQ-ARJAWSKDSA-N 2 0 285.435 2.903 20 0 CFADRP COC(=O)c1coc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421880275 382958586 /nfs/dbraw/zinc/95/85/86/382958586.db2.gz QHDYBZWDJJVSLV-LMWSTFAQSA-N 2 0 294.395 2.590 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000578867711 382961804 /nfs/dbraw/zinc/96/18/04/382961804.db2.gz ZFLBLNOBEXXOSE-QWHCGFSZSA-N 2 0 272.396 2.601 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC000578453206 382923407 /nfs/dbraw/zinc/92/34/07/382923407.db2.gz JJBQATIAWMSFSR-QWHCGFSZSA-N 2 0 293.480 2.814 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000494748349 382925631 /nfs/dbraw/zinc/92/56/31/382925631.db2.gz XZJURSWLLZPZRY-MRXNPFEDSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccsc2)C[C@@H](C)O1 ZINC000237504883 382963180 /nfs/dbraw/zinc/96/31/80/382963180.db2.gz IXCZBTRVZHBWHD-ZIAGYGMSSA-N 2 0 282.453 2.727 20 0 CFADRP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCC[NH+](C)C ZINC000421804253 382928335 /nfs/dbraw/zinc/92/83/35/382928335.db2.gz TYJSGHVAPUQCJP-LLVKDONJSA-N 2 0 272.795 2.951 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C1 ZINC000578549580 382931281 /nfs/dbraw/zinc/93/12/81/382931281.db2.gz SDVATKBQZMLERR-CHWSQXEVSA-N 2 0 284.350 2.690 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)o1 ZINC000578549336 382931443 /nfs/dbraw/zinc/93/14/43/382931443.db2.gz IEIGZQDYSXITID-XHSDSOJGSA-N 2 0 291.439 2.584 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)o1 ZINC000578549333 382931845 /nfs/dbraw/zinc/93/18/45/382931845.db2.gz IEIGZQDYSXITID-JYJNAYRXSA-N 2 0 291.439 2.584 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[NH+]2CCCC2)CCCCC1 ZINC000421819628 382932849 /nfs/dbraw/zinc/93/28/49/382932849.db2.gz ICYDEGGVERZDMT-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422803115 532963236 /nfs/dbraw/zinc/96/32/36/532963236.db2.gz FMGPCJDNBOEYNS-KGLIPLIRSA-N 2 0 269.392 2.964 20 0 CFADRP Cn1ccnc1[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000534581734 382933854 /nfs/dbraw/zinc/93/38/54/382933854.db2.gz WKODSLKDRAIYEX-INIZCTEOSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CCCCC[C@@H]2[NH3+])([NH+](C)C)C1 ZINC000422729068 382975583 /nfs/dbraw/zinc/97/55/83/382975583.db2.gz BDRZYJKPNDPWEP-QZWWFDLISA-N 2 0 281.488 2.747 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1CCc2ccccc21 ZINC000422720950 382976043 /nfs/dbraw/zinc/97/60/43/382976043.db2.gz UHTAWXYWVDZOSP-HYVNUMGLSA-N 2 0 287.451 2.687 20 0 CFADRP CSC1(C[NH2+][C@H]2CC=C(C)CC2)CC[NH+](C)CC1 ZINC000579035574 382976439 /nfs/dbraw/zinc/97/64/39/382976439.db2.gz LYPKNAIRQDTFOW-AWEZNQCLSA-N 2 0 268.470 2.902 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000422714640 382976501 /nfs/dbraw/zinc/97/65/01/382976501.db2.gz RGMOHHCEIZXNLB-LSDHHAIUSA-N 2 0 280.387 2.626 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718967 382976910 /nfs/dbraw/zinc/97/69/10/382976910.db2.gz QLFNWRYTYQJZQR-DLBZAZTESA-N 3 0 281.488 2.892 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422762241 382978181 /nfs/dbraw/zinc/97/81/81/382978181.db2.gz MJRIBYGMXNMEQU-PVAVHDDUSA-N 2 0 287.451 2.545 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)n1 ZINC000423021707 383016618 /nfs/dbraw/zinc/01/66/18/383016618.db2.gz GDZNAWOUMPAXSV-HOCLYGCPSA-N 2 0 278.444 2.599 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1(CC)CC ZINC000422837822 382982360 /nfs/dbraw/zinc/98/23/60/382982360.db2.gz MYPHHZBNDXTNRA-YIYPIFLZSA-N 2 0 256.434 2.686 20 0 CFADRP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422818656 382982510 /nfs/dbraw/zinc/98/25/10/382982510.db2.gz GTNZUICDOMLHCV-YOEHRIQHSA-N 2 0 279.472 2.514 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000422868986 382985110 /nfs/dbraw/zinc/98/51/10/382985110.db2.gz WLISRPQPHIJZLU-VNQPRFMTSA-N 2 0 295.496 2.848 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422898318 382986621 /nfs/dbraw/zinc/98/66/21/382986621.db2.gz LVSGNPHYKSWMCC-CZUORRHYSA-N 2 0 276.399 2.835 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000422908262 382987151 /nfs/dbraw/zinc/98/71/51/382987151.db2.gz CXTMGWONGJEBEJ-ZDUSSCGKSA-N 2 0 298.434 2.766 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422905898 382987301 /nfs/dbraw/zinc/98/73/01/382987301.db2.gz ZSLMEKPXJSRDRP-HZPDHXFCSA-N 2 0 289.467 2.675 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913637 382988536 /nfs/dbraw/zinc/98/85/36/382988536.db2.gz YVDHPCCRPVDSQC-OKZBNKHCSA-N 2 0 293.499 2.748 20 0 CFADRP CC(C)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968324 382989553 /nfs/dbraw/zinc/98/95/53/382989553.db2.gz WIGDGBALZJGHAB-YESZJQIVSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000446849844 382993262 /nfs/dbraw/zinc/99/32/62/382993262.db2.gz ROQMAQJOVHKCSD-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422978608 382993827 /nfs/dbraw/zinc/99/38/27/382993827.db2.gz ZTFBTRGYVIJSIE-ZACQAIPSSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Nc1ccccc1 ZINC000422981776 382995678 /nfs/dbraw/zinc/99/56/78/382995678.db2.gz UHDMBAZXCZYDQS-PMPSAXMXSA-N 2 0 261.413 2.593 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])Nc1ccccc1 ZINC000422983179 382996907 /nfs/dbraw/zinc/99/69/07/382996907.db2.gz YUDVLYHEZCKDCI-GDBMZVCRSA-N 2 0 263.429 2.840 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422994446 383001190 /nfs/dbraw/zinc/00/11/90/383001190.db2.gz HPQQTRRUYBKCOB-RDJZCZTQSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ccccn1 ZINC000422995551 383001452 /nfs/dbraw/zinc/00/14/52/383001452.db2.gz KISSFHOROBXYNQ-YJBOKZPZSA-N 2 0 283.419 2.562 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422999472 383003886 /nfs/dbraw/zinc/00/38/86/383003886.db2.gz FFYWSQJGKCQGHL-NXOAAHMSSA-N 2 0 296.499 2.930 20 0 CFADRP Cc1nsc(C)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000579321462 383004033 /nfs/dbraw/zinc/00/40/33/383004033.db2.gz PUXJYRNLCYHCRE-CQSZACIVSA-N 2 0 279.453 2.678 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423000975 383004301 /nfs/dbraw/zinc/00/43/01/383004301.db2.gz HFPXSNLUJMFOII-HOCLYGCPSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)CN1CCCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423000925 383004333 /nfs/dbraw/zinc/00/43/33/383004333.db2.gz WFKBFSXFBPZXBY-OFLPRAFFSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000423001175 383004349 /nfs/dbraw/zinc/00/43/49/383004349.db2.gz WUJWTNQIBXDXGV-ZIAGYGMSSA-N 2 0 269.392 2.964 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423002579 383005670 /nfs/dbraw/zinc/00/56/70/383005670.db2.gz JPZQZPZVRIKJPW-OLZOCXBDSA-N 2 0 264.413 2.688 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423002578 383005972 /nfs/dbraw/zinc/00/59/72/383005972.db2.gz JPZQZPZVRIKJPW-CHWSQXEVSA-N 2 0 264.413 2.688 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423005609 383006922 /nfs/dbraw/zinc/00/69/22/383006922.db2.gz SMHDXKBOBGUDKI-GVDBMIGSSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@H](CSc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423005435 383007035 /nfs/dbraw/zinc/00/70/35/383007035.db2.gz SCJXATMCRMDLET-GXTWGEPZSA-N 2 0 264.438 2.755 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000423005830 383008878 /nfs/dbraw/zinc/00/88/78/383008878.db2.gz SYENNSIGCFIAEI-WBMJQRKESA-N 2 0 293.455 2.542 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000549526904 383009512 /nfs/dbraw/zinc/00/95/12/383009512.db2.gz YNEYZYJGEMSHKY-WMZOPIPTSA-N 2 0 295.515 2.817 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423012778 383009831 /nfs/dbraw/zinc/00/98/31/383009831.db2.gz LJGMOJLVDOPMGW-MPGHIAIKSA-N 2 0 290.451 2.994 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423008639 383010201 /nfs/dbraw/zinc/01/02/01/383010201.db2.gz ATIUGZOQYUQRJO-KGLIPLIRSA-N 2 0 258.475 2.743 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422966343 532966120 /nfs/dbraw/zinc/96/61/20/532966120.db2.gz RBOIFMRAIRCVAJ-OLZOCXBDSA-N 2 0 277.412 2.618 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423015462 383012555 /nfs/dbraw/zinc/01/25/55/383012555.db2.gz RAHGZYMJDGSFAC-IHRRRGAJSA-N 2 0 279.403 2.510 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423028557 383018610 /nfs/dbraw/zinc/01/86/10/383018610.db2.gz GRXGJEPUDSESGE-DZGCQCFKSA-N 2 0 279.403 2.605 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423027565 383018622 /nfs/dbraw/zinc/01/86/22/383018622.db2.gz RMMIIXMHRDKQHS-JSGCOSHPSA-N 2 0 295.496 2.961 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423017415 383013431 /nfs/dbraw/zinc/01/34/31/383013431.db2.gz WJAFEXHCIAEZDG-CQSZACIVSA-N 2 0 286.423 2.694 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423017149 383013923 /nfs/dbraw/zinc/01/39/23/383013923.db2.gz VNRGQCSULPGKJS-HUUCEWRRSA-N 2 0 293.430 2.902 20 0 CFADRP C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000423020116 383015146 /nfs/dbraw/zinc/01/51/46/383015146.db2.gz YUXPTDGAVKZGII-WMLDXEAASA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423019744 383015348 /nfs/dbraw/zinc/01/53/48/383015348.db2.gz WZKZJRJIPKTSNQ-UGFHNGPFSA-N 2 0 282.815 2.887 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423019346 383015522 /nfs/dbraw/zinc/01/55/22/383015522.db2.gz VIPAJJQEHHGBJE-XUJVJEKNSA-N 2 0 268.376 2.619 20 0 CFADRP C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@H]1CCC[NH2+]1 ZINC000423047301 383029848 /nfs/dbraw/zinc/02/98/48/383029848.db2.gz GCLWSEZKLYETSI-BLLLJJGKSA-N 2 0 289.398 2.590 20 0 CFADRP CC(C)c1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000423048082 383030099 /nfs/dbraw/zinc/03/00/99/383030099.db2.gz HQCJYASGDVMBRQ-KBRIMQKVSA-N 2 0 276.424 2.652 20 0 CFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000550818321 383030558 /nfs/dbraw/zinc/03/05/58/383030558.db2.gz KPXRLVHCVFXHAK-KSZLIROESA-N 2 0 290.451 2.676 20 0 CFADRP C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000423047308 383030599 /nfs/dbraw/zinc/03/05/99/383030599.db2.gz GCLWSEZKLYETSI-WBMJQRKESA-N 2 0 289.398 2.590 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000423049835 383031414 /nfs/dbraw/zinc/03/14/14/383031414.db2.gz XYGFNJBYTDCBLL-JJXSEGSLSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423051005 383031763 /nfs/dbraw/zinc/03/17/63/383031763.db2.gz ZKENQDVBAVKDCW-KGLIPLIRSA-N 2 0 286.341 2.896 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423055410 383034748 /nfs/dbraw/zinc/03/47/48/383034748.db2.gz WHUJIKDIXKTJFD-ZQDZILKHSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423059584 383035605 /nfs/dbraw/zinc/03/56/05/383035605.db2.gz FZEHOKPKPGKAHU-CRAIPNDOSA-N 2 0 289.467 2.614 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423060140 383036009 /nfs/dbraw/zinc/03/60/09/383036009.db2.gz NTFVGHQRGHYURG-DFBGVHRSSA-N 2 0 278.371 2.756 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423061924 383036903 /nfs/dbraw/zinc/03/69/03/383036903.db2.gz RZQCFGSXHINYSE-LSDHHAIUSA-N 2 0 264.438 2.767 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423069398 383039740 /nfs/dbraw/zinc/03/97/40/383039740.db2.gz LKBAAZAIZFZVOM-DAXOMENPSA-N 2 0 274.408 2.796 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000423068667 383040439 /nfs/dbraw/zinc/04/04/39/383040439.db2.gz KKKMBYVYEKCHJS-UONOGXRCSA-N 2 0 264.413 2.999 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423078772 383041244 /nfs/dbraw/zinc/04/12/44/383041244.db2.gz PGTYNTQSSDXHSQ-BSDSXHPESA-N 2 0 288.435 2.871 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423073803 383041753 /nfs/dbraw/zinc/04/17/53/383041753.db2.gz JWLUFNDGEBSVRH-JFIYKMOQSA-N 2 0 293.499 2.904 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423078770 383041971 /nfs/dbraw/zinc/04/19/71/383041971.db2.gz PGTYNTQSSDXHSQ-BRSBDYLESA-N 2 0 288.435 2.871 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423107281 383042416 /nfs/dbraw/zinc/04/24/16/383042416.db2.gz KNBIPESZALFYND-JQFCIGGWSA-N 2 0 273.424 2.595 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423134310 383043979 /nfs/dbraw/zinc/04/39/79/383043979.db2.gz LVRWTEXAZDNTJS-HZPDHXFCSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000423126858 383044155 /nfs/dbraw/zinc/04/41/55/383044155.db2.gz JDTPLHLFWDMVBN-YNEHKIRRSA-N 2 0 260.372 2.932 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142856 383044833 /nfs/dbraw/zinc/04/48/33/383044833.db2.gz BLLYXSBMCZUAPG-GZBLMMOJSA-N 2 0 254.393 2.777 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423390431 383078931 /nfs/dbraw/zinc/07/89/31/383078931.db2.gz OTPMYMUYHFCXRE-CYBMUJFWSA-N 2 0 267.376 2.844 20 0 CFADRP C[C@@H](CCCC[NH3+])[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423164530 383046783 /nfs/dbraw/zinc/04/67/83/383046783.db2.gz SUGWSJXJLRRFOQ-KBPBESRZSA-N 2 0 256.459 2.723 20 0 CFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338776161 383047332 /nfs/dbraw/zinc/04/73/32/383047332.db2.gz AGOCDPLREHUBAV-KRWDZBQOSA-N 2 0 294.483 2.638 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000423195865 383049308 /nfs/dbraw/zinc/04/93/08/383049308.db2.gz UBIFBUHINBDSOQ-GFCCVEGCSA-N 2 0 259.180 2.919 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423203040 383049995 /nfs/dbraw/zinc/04/99/95/383049995.db2.gz BTXNUTJWCWTVJE-CHWSQXEVSA-N 2 0 282.378 2.875 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423201242 383050099 /nfs/dbraw/zinc/05/00/99/383050099.db2.gz OFEYRFLQTBLYFO-HNNXBMFYSA-N 2 0 252.377 2.592 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423202355 383050123 /nfs/dbraw/zinc/05/01/23/383050123.db2.gz AUUFCBSRHPNMKF-YJBOKZPZSA-N 2 0 272.436 2.905 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214960 383050546 /nfs/dbraw/zinc/05/05/46/383050546.db2.gz PWGFORSIVNPAFB-CJNGLKHVSA-N 2 0 276.449 2.606 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000551874772 383052821 /nfs/dbraw/zinc/05/28/21/383052821.db2.gz UTIYMZGPEXKJNH-ZDUSSCGKSA-N 2 0 291.439 2.853 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C12CCCCC2 ZINC000423392172 383079365 /nfs/dbraw/zinc/07/93/65/383079365.db2.gz LGJUCTWHUVOJPH-YHUYYLMFSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283420 383055497 /nfs/dbraw/zinc/05/54/97/383055497.db2.gz WBRMNTVWGUVSPS-INMHGKMJSA-N 2 0 281.488 2.617 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H](C)C[NH3+] ZINC000423299920 383056491 /nfs/dbraw/zinc/05/64/91/383056491.db2.gz CRDZBHNXTWGYHO-XHDPSFHLSA-N 2 0 262.397 2.602 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423306067 383056645 /nfs/dbraw/zinc/05/66/45/383056645.db2.gz LDDXDTLSSGDPTL-MFKMUULPSA-N 2 0 268.788 2.738 20 0 CFADRP C[C@]1(C[NH2+]C2CCC(C(F)F)CC2)CCC[NH2+]C1 ZINC000423325235 383058293 /nfs/dbraw/zinc/05/82/93/383058293.db2.gz BQBLLYRZJMZBFJ-YIZWMMSDSA-N 2 0 260.372 2.790 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1OC ZINC000423350561 383059246 /nfs/dbraw/zinc/05/92/46/383059246.db2.gz ZSLADGOHZNHUAZ-CYBMUJFWSA-N 2 0 290.407 2.583 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC[NH2+]CC1 ZINC000423346282 383059836 /nfs/dbraw/zinc/05/98/36/383059836.db2.gz ZRKBWRAISYTBED-OWCLPIDISA-N 2 0 280.456 2.561 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349463 383060067 /nfs/dbraw/zinc/06/00/67/383060067.db2.gz VQMSXRVGVUOJAN-WMLDXEAASA-N 2 0 292.398 2.801 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000423354011 383061440 /nfs/dbraw/zinc/06/14/40/383061440.db2.gz CLNLYWGAIATIIN-CABCVRRESA-N 2 0 292.423 2.887 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357910 383062591 /nfs/dbraw/zinc/06/25/91/383062591.db2.gz IXVLFCSFHVAQEB-MSOLQXFVSA-N 2 0 290.451 2.960 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C(C)C ZINC000423359500 383063523 /nfs/dbraw/zinc/06/35/23/383063523.db2.gz KRZVFZQTBFMFMM-IAGOWNOFSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000423362076 383064065 /nfs/dbraw/zinc/06/40/65/383064065.db2.gz ATUSMCDQKSBICA-SUNKGSAMSA-N 2 0 284.350 2.937 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423362239 383065228 /nfs/dbraw/zinc/06/52/28/383065228.db2.gz NABPIDDCXDVOGL-NEPJUHHUSA-N 2 0 279.453 2.815 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC)cc1 ZINC000423365508 383066002 /nfs/dbraw/zinc/06/60/02/383066002.db2.gz BVOQOGWUGQKVPV-XPKDYRNWSA-N 2 0 262.397 2.876 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000423391091 383080093 /nfs/dbraw/zinc/08/00/93/383080093.db2.gz PGQRZHYVNXZFPO-SJORKVTESA-N 2 0 274.408 2.583 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367471 383066460 /nfs/dbraw/zinc/06/64/60/383066460.db2.gz CNUTVSWIUCJHIE-CYBMUJFWSA-N 2 0 267.376 2.844 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423367476 383066527 /nfs/dbraw/zinc/06/65/27/383066527.db2.gz CNUTVSWIUCJHIE-ZDUSSCGKSA-N 2 0 267.376 2.844 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423369493 383067900 /nfs/dbraw/zinc/06/79/00/383067900.db2.gz DXKDGDKANZQLRZ-BFHYXJOUSA-N 2 0 292.423 2.933 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000423370526 383068863 /nfs/dbraw/zinc/06/88/63/383068863.db2.gz GYCFSXNZYJPMEK-IGCXYCKISA-N 2 0 258.409 2.966 20 0 CFADRP c1cc(C[NH2+][C@H](C2CC2)C2CCC2)cc2c1C[NH2+]C2 ZINC000423370559 383069106 /nfs/dbraw/zinc/06/91/06/383069106.db2.gz FTGIMDXXAKIGSM-KRWDZBQOSA-N 2 0 256.393 2.958 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC000246311129 383071542 /nfs/dbraw/zinc/07/15/42/383071542.db2.gz DRJHZZVOHNCBNT-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423377727 383072248 /nfs/dbraw/zinc/07/22/48/383072248.db2.gz KHBXNKPMERSQHY-HZSPNIEDSA-N 2 0 294.439 2.783 20 0 CFADRP CS[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000423028034 383018884 /nfs/dbraw/zinc/01/88/84/383018884.db2.gz FNWZYSKJCMTXMN-ZGVCCVRISA-N 2 0 256.459 2.637 20 0 CFADRP C[C@@H]1C[C@@H](NCc2nc(-c3ccccc3)c[nH]2)CC[N@@H+]1C ZINC000447857406 383019029 /nfs/dbraw/zinc/01/90/29/383019029.db2.gz WYBDQZYIZCBJPX-HIFRSBDPSA-N 2 0 284.407 2.649 20 0 CFADRP C[C@@H]1[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000423030182 383019792 /nfs/dbraw/zinc/01/97/92/383019792.db2.gz JKZNTOYEUPLBJO-DDBAPUKQSA-N 2 0 287.451 2.552 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000423032602 383021171 /nfs/dbraw/zinc/02/11/71/383021171.db2.gz FSDDNFRIKVACIM-NQBHXWOUSA-N 2 0 267.442 2.533 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC000423031088 383021357 /nfs/dbraw/zinc/02/13/57/383021357.db2.gz WNXKWEQYTZLJFT-SGMGOOAPSA-N 2 0 280.387 2.873 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H](C)CCC[NH3+])CCC1 ZINC000423034800 383022666 /nfs/dbraw/zinc/02/26/66/383022666.db2.gz IJZAXOZNHMCXIC-AWEZNQCLSA-N 2 0 276.424 2.834 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423032786 383022730 /nfs/dbraw/zinc/02/27/30/383022730.db2.gz NDIGWXCUCFDTRX-UTJXIGIESA-N 2 0 274.408 2.926 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000423035984 383023526 /nfs/dbraw/zinc/02/35/26/383023526.db2.gz KFAKFJPMLJMUCD-QWRGUYRKSA-N 2 0 290.436 2.760 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423036025 383024067 /nfs/dbraw/zinc/02/40/67/383024067.db2.gz KLTZAKXFHBNFSP-DMDPSCGWSA-N 2 0 267.442 2.533 20 0 CFADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423039548 383025117 /nfs/dbraw/zinc/02/51/17/383025117.db2.gz QUNHXNJJHKEKFA-RWSFTLGLSA-N 2 0 282.815 2.614 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423040412 383026647 /nfs/dbraw/zinc/02/66/47/383026647.db2.gz GZTUVWSCBJADEH-CYZMBNFOSA-N 2 0 279.453 2.807 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423491897 383119548 /nfs/dbraw/zinc/11/95/48/383119548.db2.gz KRBCUNQGMYKUAA-ORIJERBGSA-N 2 0 276.424 2.904 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000423492464 383120524 /nfs/dbraw/zinc/12/05/24/383120524.db2.gz NESBLHGGGSAWAX-GMXVVIOVSA-N 2 0 266.360 2.612 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000423492872 383120612 /nfs/dbraw/zinc/12/06/12/383120612.db2.gz OWYGMBOURDSHNI-QJPTWQEYSA-N 2 0 266.360 2.612 20 0 CFADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246944542 383124653 /nfs/dbraw/zinc/12/46/53/383124653.db2.gz UHEKPTMVCVHNEK-OIISXLGYSA-N 2 0 278.440 2.504 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423512184 383124735 /nfs/dbraw/zinc/12/47/35/383124735.db2.gz QRMGXCFQJIXGHY-UBHAPETDSA-N 2 0 284.325 2.808 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423512186 383125021 /nfs/dbraw/zinc/12/50/21/383125021.db2.gz QRMGXCFQJIXGHY-UISBYWKRSA-N 2 0 284.325 2.808 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423505494 383125042 /nfs/dbraw/zinc/12/50/42/383125042.db2.gz LRWDMUPOMFIKNT-YIOUJQMASA-N 2 0 256.459 2.625 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cccnc3o2)[C@@H](C)C1 ZINC000449031380 383142760 /nfs/dbraw/zinc/14/27/60/383142760.db2.gz USXCKCHKYBLYSJ-XJKSGUPXSA-N 2 0 287.407 2.990 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423396442 383081146 /nfs/dbraw/zinc/08/11/46/383081146.db2.gz NVMQDKKTEXUPON-GLJUWKHASA-N 2 0 298.434 2.829 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394687 383081192 /nfs/dbraw/zinc/08/11/92/383081192.db2.gz MXYHRUBUHKDHNA-OGHNNQOOSA-N 2 0 271.408 2.555 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423402663 383083102 /nfs/dbraw/zinc/08/31/02/383083102.db2.gz ROLJVTRNTMFBPF-SZMVWBNQSA-N 2 0 290.451 2.815 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)c1 ZINC000423403567 383084055 /nfs/dbraw/zinc/08/40/55/383084055.db2.gz YODZBSOXLLMBKM-XCRHUMRWSA-N 2 0 288.435 2.746 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423403530 383084390 /nfs/dbraw/zinc/08/43/90/383084390.db2.gz YGWOACQZWFCORN-HGTKMLMNSA-N 2 0 276.424 2.917 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423406834 383085369 /nfs/dbraw/zinc/08/53/69/383085369.db2.gz ZFQPAQODWFYGEZ-BPUTZDHNSA-N 2 0 284.407 2.793 20 0 CFADRP Cc1cnn(CCCCC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000246611421 383086739 /nfs/dbraw/zinc/08/67/39/383086739.db2.gz GTFJWIJALGEVEV-DLBZAZTESA-N 2 0 292.471 2.776 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423410055 383086979 /nfs/dbraw/zinc/08/69/79/383086979.db2.gz ZQCUQYCDAIVLPT-LFYPYMNQSA-N 2 0 288.435 2.775 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423425362 383091656 /nfs/dbraw/zinc/09/16/56/383091656.db2.gz DNABZCAUOAAGDZ-ZJIFWQFVSA-N 2 0 280.456 2.556 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCC2)cc1 ZINC000423427739 383092759 /nfs/dbraw/zinc/09/27/59/383092759.db2.gz ITMAJPFXJORHET-VVLHAWIVSA-N 2 0 256.393 2.725 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cnn1C(C)C ZINC000423428515 383092924 /nfs/dbraw/zinc/09/29/24/383092924.db2.gz JGJCUAMQBMNFKV-QWHCGFSZSA-N 2 0 266.433 2.941 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423431156 383094121 /nfs/dbraw/zinc/09/41/21/383094121.db2.gz LKEJLSCGBBGCQW-STQMWFEESA-N 2 0 262.397 2.885 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000423433219 383094580 /nfs/dbraw/zinc/09/45/80/383094580.db2.gz WRSAEXGBSIFGTK-FPCVCCKLSA-N 2 0 280.456 2.689 20 0 CFADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423441917 383096818 /nfs/dbraw/zinc/09/68/18/383096818.db2.gz BKDGTMVKOVKERT-WPAPPDIDSA-N 3 0 289.467 2.755 20 0 CFADRP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCN2 ZINC000423443931 383098458 /nfs/dbraw/zinc/09/84/58/383098458.db2.gz LAPVGEMLZMGIDL-IRXDYDNUSA-N 2 0 285.435 2.761 20 0 CFADRP Fc1cncc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)c1 ZINC000423447967 383099979 /nfs/dbraw/zinc/09/99/79/383099979.db2.gz UQXOWHONSNBQMS-GVDBMIGSSA-N 2 0 289.398 2.650 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423447682 383100105 /nfs/dbraw/zinc/10/01/05/383100105.db2.gz ZXLJJRWMSGBJOF-GHMZBOCLSA-N 2 0 256.415 2.925 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1F ZINC000423452004 383100813 /nfs/dbraw/zinc/10/08/13/383100813.db2.gz JGVCUIGWLIXLTI-GWCFXTLKSA-N 2 0 288.794 2.884 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000584420989 383101629 /nfs/dbraw/zinc/10/16/29/383101629.db2.gz YZCBYFGJNJBAAY-IINYFYTJSA-N 2 0 297.240 2.797 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])s1 ZINC000423458157 383102820 /nfs/dbraw/zinc/10/28/20/383102820.db2.gz PUUMNULBNPVKIN-VHSXEESVSA-N 2 0 255.431 2.792 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423461431 383104346 /nfs/dbraw/zinc/10/43/46/383104346.db2.gz CNBGWJOHOVIIPP-BNOWGMLFSA-N 2 0 265.376 2.779 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423460313 383104514 /nfs/dbraw/zinc/10/45/14/383104514.db2.gz RVNPBSDHCQFVDK-HLIUYOAVSA-N 2 0 268.445 2.974 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000423462788 383105391 /nfs/dbraw/zinc/10/53/91/383105391.db2.gz PLWQHKKVAMRJCA-SCRDCRAPSA-N 2 0 276.380 2.583 20 0 CFADRP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000423465107 383106296 /nfs/dbraw/zinc/10/62/96/383106296.db2.gz WMMQEEGETOBZKU-KGLIPLIRSA-N 2 0 294.439 2.660 20 0 CFADRP Fc1cncc([C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423466396 383106417 /nfs/dbraw/zinc/10/64/17/383106417.db2.gz AMRFPZHTDKALMG-HZPDHXFCSA-N 2 0 277.387 2.794 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423468302 383106765 /nfs/dbraw/zinc/10/67/65/383106765.db2.gz YECBEBKHEZYITA-FMKPAKJESA-N 2 0 261.413 2.825 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cs1 ZINC000423467611 383106850 /nfs/dbraw/zinc/10/68/50/383106850.db2.gz BLUBLAZLRKNBCZ-JQWIXIFHSA-N 2 0 253.415 2.634 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1C(C)(C)C ZINC000423470850 383107980 /nfs/dbraw/zinc/10/79/80/383107980.db2.gz ZIQUKJIOGUIBBA-NEPJUHHUSA-N 2 0 266.433 2.725 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000423473264 383109492 /nfs/dbraw/zinc/10/94/92/383109492.db2.gz GNCNFGNJKUOZOO-TZMCWYRMSA-N 2 0 276.380 2.598 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423473966 383109704 /nfs/dbraw/zinc/10/97/04/383109704.db2.gz QZZYTRAAFMBKBK-CABCVRRESA-N 2 0 252.377 2.720 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cn1 ZINC000423473967 383109740 /nfs/dbraw/zinc/10/97/40/383109740.db2.gz HBRFBMPNQOBYKS-DGCLKSJQSA-N 2 0 267.804 2.918 20 0 CFADRP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000423474971 383110532 /nfs/dbraw/zinc/11/05/32/383110532.db2.gz PKAZCMBIXTVJBW-DMDPSCGWSA-N 2 0 297.830 2.912 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423476102 383111851 /nfs/dbraw/zinc/11/18/51/383111851.db2.gz QLQUYPDOOBSZST-LOWVWBTDSA-N 2 0 267.804 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)[C@@H](C)C1 ZINC000246848937 383112564 /nfs/dbraw/zinc/11/25/64/383112564.db2.gz CNWQMUGFBLXPCE-XJKSGUPXSA-N 2 0 280.387 2.524 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423478985 383113139 /nfs/dbraw/zinc/11/31/39/383113139.db2.gz UZJNBDFXRMMMKY-OBJOEFQTSA-N 2 0 280.412 2.523 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccccc2)n1 ZINC000423487483 383116546 /nfs/dbraw/zinc/11/65/46/383116546.db2.gz UIMQOVHSDSTJBK-HOTGVXAUSA-N 2 0 284.407 2.621 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423487261 383116876 /nfs/dbraw/zinc/11/68/76/383116876.db2.gz UAECUDIPICXWGR-HUUCEWRRSA-N 2 0 289.423 2.526 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423487421 383117188 /nfs/dbraw/zinc/11/71/88/383117188.db2.gz UHWPZBZJXKLVDD-UKRRQHHQSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)C1CCCCC1 ZINC000339003822 383117475 /nfs/dbraw/zinc/11/74/75/383117475.db2.gz ZLYJQMAEKYZTEG-MRXNPFEDSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@@H](CO)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449091509 383170734 /nfs/dbraw/zinc/17/07/34/383170734.db2.gz JWZVTHPXDVNZJR-CQSZACIVSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248135364 383212281 /nfs/dbraw/zinc/21/22/81/383212281.db2.gz OZMJYXHPKSDWAU-IRXDYDNUSA-N 2 0 258.409 2.911 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449095956 383173855 /nfs/dbraw/zinc/17/38/55/383173855.db2.gz CXDQTPLFMMZVMC-ZDUSSCGKSA-N 2 0 262.397 2.817 20 0 CFADRP CN(CC(C)(C)C[NH3+])C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424076137 383175423 /nfs/dbraw/zinc/17/54/23/383175423.db2.gz LFFJNICKRCMCQT-OAHLLOKOSA-N 2 0 297.487 2.508 20 0 CFADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424083430 383176824 /nfs/dbraw/zinc/17/68/24/383176824.db2.gz XKFHFARDGKGWEJ-WBVHZDCISA-N 2 0 297.487 2.554 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449108649 383179835 /nfs/dbraw/zinc/17/98/35/383179835.db2.gz VHGOBZSROVLQIF-UHFFFAOYSA-N 2 0 292.423 2.669 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)CCC1 ZINC000339197045 383183256 /nfs/dbraw/zinc/18/32/56/383183256.db2.gz FBOGTNPUXCKFIJ-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334362 296343567 /nfs/dbraw/zinc/34/35/67/296343567.db2.gz UHKPVVFWIPFCFU-BDXSIMOUSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437906 383197452 /nfs/dbraw/zinc/19/74/52/383197452.db2.gz QOAVUIVBRRTROU-KZNAEPCWSA-N 2 0 294.483 2.999 20 0 CFADRP COc1cc(C)ccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449285344 383199363 /nfs/dbraw/zinc/19/93/63/383199363.db2.gz DPOCIGZIIFRYSA-UHFFFAOYSA-N 2 0 288.435 2.968 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000518514050 383200487 /nfs/dbraw/zinc/20/04/87/383200487.db2.gz OIACRQZDHKLYLB-AWEZNQCLSA-N 2 0 252.789 2.917 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000518753808 383206799 /nfs/dbraw/zinc/20/67/99/383206799.db2.gz KUZLWCISKWTKHV-JCGIZDLHSA-N 2 0 290.451 2.694 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247170033 383149674 /nfs/dbraw/zinc/14/96/74/383149674.db2.gz SMIDXJWHVYGCSY-LMSBXDPUSA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000247170004 383149888 /nfs/dbraw/zinc/14/98/88/383149888.db2.gz RDINDNBXCBKOTN-YJBOKZPZSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000449081825 383166600 /nfs/dbraw/zinc/16/66/00/383166600.db2.gz IGFFEUULFPOMOW-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP c1cc2cccc(C[NH2+]CCCC[NH+]3CCOCC3)c2o1 ZINC000449082310 383166870 /nfs/dbraw/zinc/16/68/70/383166870.db2.gz MIIPXCDSZIYYBD-UHFFFAOYSA-N 2 0 288.391 2.635 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000449087596 383168644 /nfs/dbraw/zinc/16/86/44/383168644.db2.gz GMDONZUNLNOKJL-UONOGXRCSA-N 2 0 250.386 2.532 20 0 CFADRP c1ccc(CC2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000248566066 383261698 /nfs/dbraw/zinc/26/16/98/383261698.db2.gz OYCHWZNPTQABJK-SJORKVTESA-N 2 0 270.420 2.978 20 0 CFADRP C[C@@H]1CC[N@H+](CCCc2cncn2C)CC12CCC2 ZINC000520603828 383266078 /nfs/dbraw/zinc/26/60/78/383266078.db2.gz CEKHZZXEPKIHKO-CQSZACIVSA-N 2 0 261.413 2.865 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCSC)[C@@H](C)C1 ZINC000248591847 383266300 /nfs/dbraw/zinc/26/63/00/383266300.db2.gz ZWISPUIWWJGVAQ-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000519420497 383215353 /nfs/dbraw/zinc/21/53/53/383215353.db2.gz HDFMXBASQLSEKB-CVEARBPZSA-N 2 0 298.858 2.939 20 0 CFADRP C(=C\c1ccncc1)\C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496585 383216018 /nfs/dbraw/zinc/21/60/18/383216018.db2.gz CNNRHCNUVALCII-SREVYHEPSA-N 2 0 273.424 2.951 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000519423581 383216379 /nfs/dbraw/zinc/21/63/79/383216379.db2.gz KNEKWGDZFNVTNZ-ZDUSSCGKSA-N 2 0 284.407 2.697 20 0 CFADRP CCc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339500186 383218527 /nfs/dbraw/zinc/21/85/27/383218527.db2.gz YCZISKBBKZRESK-UHFFFAOYSA-N 2 0 275.440 3.000 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000449329484 383220440 /nfs/dbraw/zinc/22/04/40/383220440.db2.gz OOIHTBMSOPFUKY-AWEZNQCLSA-N 2 0 293.455 2.936 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000566909009 383224469 /nfs/dbraw/zinc/22/44/69/383224469.db2.gz XHAXDDPDPRKODY-YVECIDJPSA-N 2 0 276.371 2.515 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCSCC(C)C)C1 ZINC000339515866 383227418 /nfs/dbraw/zinc/22/74/18/383227418.db2.gz UNRSJFVQIJEJIC-KGLIPLIRSA-N 2 0 258.475 2.696 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]1 ZINC000567029017 383235566 /nfs/dbraw/zinc/23/55/66/383235566.db2.gz LOCUDDJIZHBPNS-GXFFZTMASA-N 2 0 254.324 2.854 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000567109008 383241974 /nfs/dbraw/zinc/24/19/74/383241974.db2.gz MEOUEOYTSATDFW-WFASDCNBSA-N 2 0 275.396 2.519 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732748 383335643 /nfs/dbraw/zinc/33/56/43/383335643.db2.gz NVFKJHBJITWCRD-OAHLLOKOSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733902 383336787 /nfs/dbraw/zinc/33/67/87/383336787.db2.gz QUZMANCARAWDGP-HIFRSBDPSA-N 2 0 268.445 2.559 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000339848745 383338722 /nfs/dbraw/zinc/33/87/22/383338722.db2.gz WNYJIYVSSZBQAK-UHFFFAOYSA-N 2 0 294.358 2.648 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000249381215 383342312 /nfs/dbraw/zinc/34/23/12/383342312.db2.gz RSDIAFMSNVDJII-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CC2CC2)C1 ZINC000339675070 383283307 /nfs/dbraw/zinc/28/33/07/383283307.db2.gz BYQVYSAKBKMVNQ-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP CCC[NH+](CCC)CCCNC1CC[NH+](C2CC2)CC1 ZINC000459359209 383286640 /nfs/dbraw/zinc/28/66/40/383286640.db2.gz DQHKCJRMSXGXES-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP CC(C)[C@@]1(CO)CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000339701818 383291631 /nfs/dbraw/zinc/29/16/31/383291631.db2.gz NCYLGMQFLDCFBZ-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000567639375 383296858 /nfs/dbraw/zinc/29/68/58/383296858.db2.gz KVQMLAOEQFFFNS-HNNXBMFYSA-N 2 0 262.397 2.747 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000567639040 383296913 /nfs/dbraw/zinc/29/69/13/383296913.db2.gz MLZHCJTVRMYOQY-OAHLLOKOSA-N 2 0 278.440 2.994 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642439 383296947 /nfs/dbraw/zinc/29/69/47/383296947.db2.gz BDRMBCWTZDVSFQ-YWPYICTPSA-N 2 0 283.847 2.658 20 0 CFADRP CS[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000449447287 383298165 /nfs/dbraw/zinc/29/81/65/383298165.db2.gz XWWKPUOHIRGOCZ-OAHLLOKOSA-N 2 0 288.420 2.513 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(C)o1 ZINC000567645873 383298247 /nfs/dbraw/zinc/29/82/47/383298247.db2.gz HPZSMGLJXOXKSF-SWLSCSKDSA-N 2 0 279.428 2.734 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248882166 383302597 /nfs/dbraw/zinc/30/25/97/383302597.db2.gz LBZISWMIUUDLON-AKBNIOSXSA-N 2 0 280.456 2.797 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CC2)C3)cc1 ZINC000248886228 383303214 /nfs/dbraw/zinc/30/32/14/383303214.db2.gz MFKXYVYDOGXHOC-OSYLJGHBSA-N 2 0 256.393 2.934 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000248906253 383306471 /nfs/dbraw/zinc/30/64/71/383306471.db2.gz UWKNDLJEYLUTLH-PMPSAXMXSA-N 2 0 282.472 2.900 20 0 CFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000248964800 383311758 /nfs/dbraw/zinc/31/17/58/383311758.db2.gz BNLJZIVFMKBCCZ-MSOLQXFVSA-N 2 0 294.483 2.735 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCCC1 ZINC000634683393 383312595 /nfs/dbraw/zinc/31/25/95/383312595.db2.gz QKAHEUSKLNNWKD-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4ncccc34)C[C@@H]21 ZINC000634687960 383320053 /nfs/dbraw/zinc/32/00/53/383320053.db2.gz DNZHGYBSZBJFPI-HYVNUMGLSA-N 2 0 281.403 2.794 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249046217 383321498 /nfs/dbraw/zinc/32/14/98/383321498.db2.gz NSQDYFVYOWAUAJ-FUHWJXTLSA-N 2 0 293.499 2.667 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249058363 383323106 /nfs/dbraw/zinc/32/31/06/383323106.db2.gz ZHAGUVOYIFRAIF-OWLYRPNTSA-N 2 0 288.435 2.807 20 0 CFADRP FC(F)(F)CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889639 383326842 /nfs/dbraw/zinc/32/68/42/383326842.db2.gz FYLSSQXVPXTQAB-LBPRGKRZSA-N 2 0 264.335 2.795 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000340240689 383389679 /nfs/dbraw/zinc/38/96/79/383389679.db2.gz VYATWEYACKDEOU-IAGOWNOFSA-N 2 0 294.483 2.926 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000340240687 383389732 /nfs/dbraw/zinc/38/97/32/383389732.db2.gz VYATWEYACKDEOU-DLBZAZTESA-N 2 0 294.483 2.926 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450405613 383395086 /nfs/dbraw/zinc/39/50/86/383395086.db2.gz QHQXNKXWBBISLM-XBMZPMPPSA-N 2 0 258.409 2.973 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000568381400 383396386 /nfs/dbraw/zinc/39/63/86/383396386.db2.gz GVYZZXFIDLMRGA-UKRRQHHQSA-N 2 0 298.377 2.938 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1C ZINC000479078079 383399476 /nfs/dbraw/zinc/39/94/76/383399476.db2.gz IMRGHJXHUWYXPD-NXOAAHMSSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568415052 383401476 /nfs/dbraw/zinc/40/14/76/383401476.db2.gz FELXFQVWCDMEAA-BZUAXINKSA-N 2 0 288.435 2.975 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000525833107 383405802 /nfs/dbraw/zinc/40/58/02/383405802.db2.gz PRDBRCKBBOKMPE-SJORKVTESA-N 2 0 273.424 2.997 20 0 CFADRP COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568105232 383358745 /nfs/dbraw/zinc/35/87/45/383358745.db2.gz QGLGSOPFTZOENT-JKSUJKDBSA-N 2 0 274.408 2.672 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)C1 ZINC000568107524 383359812 /nfs/dbraw/zinc/35/98/12/383359812.db2.gz PWOLVQNLSKHFAK-GJZGRUSLSA-N 2 0 262.372 2.717 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000568163986 383364478 /nfs/dbraw/zinc/36/44/78/383364478.db2.gz GMSPWVHYJXLKEA-KRWDZBQOSA-N 2 0 290.451 2.667 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000568162089 383364554 /nfs/dbraw/zinc/36/45/54/383364554.db2.gz NYQMIESSDCOONC-STQMWFEESA-N 2 0 280.437 2.599 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000249919545 383367342 /nfs/dbraw/zinc/36/73/42/383367342.db2.gz AGIGKBBDWQXQOC-BRWVUGGUSA-N 2 0 281.488 2.619 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000249947720 383367439 /nfs/dbraw/zinc/36/74/39/383367439.db2.gz JLQAHNHIWKKBBM-BFHYXJOUSA-N 2 0 258.475 2.981 20 0 CFADRP C[N@H+](CCCN[C@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000250008544 383369245 /nfs/dbraw/zinc/36/92/45/383369245.db2.gz UHAIBIASMPPMEY-WMZOPIPTSA-N 2 0 293.499 2.857 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000250180909 383371690 /nfs/dbraw/zinc/37/16/90/383371690.db2.gz QMUQXGUTSLEINW-RRFJBIMHSA-N 2 0 264.438 2.801 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000250180906 383372030 /nfs/dbraw/zinc/37/20/30/383372030.db2.gz QMUQXGUTSLEINW-RBSFLKMASA-N 2 0 264.438 2.801 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000470008364 383374930 /nfs/dbraw/zinc/37/49/30/383374930.db2.gz HYFNUHFGPVILPT-HUUCEWRRSA-N 2 0 276.424 2.730 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000425352869 383375754 /nfs/dbraw/zinc/37/57/54/383375754.db2.gz IHIKSJPCAOKARB-MELADBBJSA-N 2 0 256.459 2.735 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCCC2 ZINC000250507771 383377068 /nfs/dbraw/zinc/37/70/68/383377068.db2.gz NALRRMWHDFNYIZ-LTIDMASMSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250554569 383377807 /nfs/dbraw/zinc/37/78/07/383377807.db2.gz BGISGGYGONRUKB-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250574629 383377907 /nfs/dbraw/zinc/37/79/07/383377907.db2.gz JBVIANOBHKTHEN-KZNAEPCWSA-N 2 0 288.435 2.748 20 0 CFADRP COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000568237479 383379227 /nfs/dbraw/zinc/37/92/27/383379227.db2.gz AKDPKBUQGCYZAG-CFVMTHIKSA-N 2 0 277.412 2.614 20 0 CFADRP COc1cc([C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000568237478 383379263 /nfs/dbraw/zinc/37/92/63/383379263.db2.gz AKDPKBUQGCYZAG-AEGPPILISA-N 2 0 277.412 2.614 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCCN2CCC2)C1 ZINC000568238360 383379541 /nfs/dbraw/zinc/37/95/41/383379541.db2.gz SKSNYPSJMHDBRC-HZPDHXFCSA-N 2 0 296.455 2.574 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C1 ZINC000568247864 383381720 /nfs/dbraw/zinc/38/17/20/383381720.db2.gz ZKVWCXXAMDOEJM-GHMZBOCLSA-N 2 0 286.778 2.717 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC000568248681 383381894 /nfs/dbraw/zinc/38/18/94/383381894.db2.gz XVELOMZYFDJBMF-KGLIPLIRSA-N 2 0 254.418 2.585 20 0 CFADRP C(CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000250876958 383382155 /nfs/dbraw/zinc/38/21/55/383382155.db2.gz UJRRIKWOAPXYJF-KZNAEPCWSA-N 2 0 293.499 2.763 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425551478 383384797 /nfs/dbraw/zinc/38/47/97/383384797.db2.gz JOKPKVRNQGJSQX-IRXDYDNUSA-N 2 0 292.467 2.752 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000251221084 383386595 /nfs/dbraw/zinc/38/65/95/383386595.db2.gz HZYJCUGMRBPVMO-UHIISALHSA-N 2 0 252.427 2.875 20 0 CFADRP CC[NH+]1CCC(N(C)CC[N@H+](C)Cc2ccccc2)CC1 ZINC000450465040 383422719 /nfs/dbraw/zinc/42/27/19/383422719.db2.gz CZCOTUCKVFBXRX-UHFFFAOYSA-N 2 0 289.467 2.535 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252673142 383426422 /nfs/dbraw/zinc/42/64/22/383426422.db2.gz GQWNTCRCARMPKQ-SJORKVTESA-N 2 0 258.409 2.965 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000252731475 383431081 /nfs/dbraw/zinc/43/10/81/383431081.db2.gz QBPUFQOGMCNZKE-LHUBUQBQSA-N 2 0 258.409 2.862 20 0 CFADRP C[C@H](F)CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000340471294 383431449 /nfs/dbraw/zinc/43/14/49/383431449.db2.gz VQKRHMNNBNJEQM-DZKIICNBSA-N 2 0 279.403 2.630 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252779094 383434846 /nfs/dbraw/zinc/43/48/46/383434846.db2.gz LMKRCRCBRFYYFO-ZFWWWQNUSA-N 2 0 262.397 2.645 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340477551 383435541 /nfs/dbraw/zinc/43/55/41/383435541.db2.gz YLIHZLNPCUPTPV-XHSDSOJGSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000340482105 383437423 /nfs/dbraw/zinc/43/74/23/383437423.db2.gz DTTJAHSDYWXQPX-IWCQGFGOSA-N 2 0 258.409 2.720 20 0 CFADRP CSCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252952014 383439762 /nfs/dbraw/zinc/43/97/62/383439762.db2.gz PMMPLNBMNRZBAG-MGPQQGTHSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1C[NH3+] ZINC000253177141 383446869 /nfs/dbraw/zinc/44/68/69/383446869.db2.gz ASXCWAORHCLUKW-SUMWQHHRSA-N 2 0 258.409 2.981 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000428300421 383446825 /nfs/dbraw/zinc/44/68/25/383446825.db2.gz MFSRBYJKJUDKOC-ZIAGYGMSSA-N 2 0 289.423 2.607 20 0 CFADRP CN(Cc1ccccc1C(F)(F)F)CC12CC(C1)C[NH2+]2 ZINC000634991616 383447107 /nfs/dbraw/zinc/44/71/07/383447107.db2.gz LCKXCNFBCASHKK-UHFFFAOYSA-N 2 0 284.325 2.889 20 0 CFADRP CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc[nH+]1 ZINC000450527566 383448152 /nfs/dbraw/zinc/44/81/52/383448152.db2.gz ZQKKQIWNQXQRTP-XJKSGUPXSA-N 2 0 259.397 2.707 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)C(C)(C)n1cncn1)C(C)C ZINC000340517540 383452311 /nfs/dbraw/zinc/45/23/11/383452311.db2.gz CNPLYRJFXMZIRY-OAHLLOKOSA-N 2 0 295.475 2.500 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000253354895 383452383 /nfs/dbraw/zinc/45/23/83/383452383.db2.gz QVNANLDFSNTGDZ-OOKSDGMUSA-N 2 0 293.499 2.569 20 0 CFADRP CC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000484313052 383455077 /nfs/dbraw/zinc/45/50/77/383455077.db2.gz SWYGLFQUPRONRB-OAGGEKHMSA-N 2 0 270.461 2.902 20 0 CFADRP FC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000635001948 383458727 /nfs/dbraw/zinc/45/87/27/383458727.db2.gz JNNOIWUHOHJXFG-XOUADPBQSA-N 2 0 280.362 2.814 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000635003705 383459760 /nfs/dbraw/zinc/45/97/60/383459760.db2.gz AZZYQMFWAXBRRC-LUKYLMHMSA-N 3 0 293.499 2.665 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004531 383460304 /nfs/dbraw/zinc/46/03/04/383460304.db2.gz IVVXPCUIGOIWDB-UMVBOHGHSA-N 2 0 261.413 2.812 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000635004102 383460531 /nfs/dbraw/zinc/46/05/31/383460531.db2.gz GYEZMHWKZPAVGH-BPUTZDHNSA-N 2 0 284.407 2.606 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C1CCSCC1 ZINC000635005449 383461689 /nfs/dbraw/zinc/46/16/89/383461689.db2.gz NOSOAOHFFDBTCI-OBJOEFQTSA-N 2 0 256.459 2.625 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000635005928 383462221 /nfs/dbraw/zinc/46/22/21/383462221.db2.gz QLUGNPYCIQSPNY-NQNKBUKLSA-N 2 0 280.456 2.689 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCC12CC2 ZINC000635005253 383462468 /nfs/dbraw/zinc/46/24/68/383462468.db2.gz SWVMARPDFFDYOA-NUEKZKHPSA-N 2 0 258.409 2.867 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000450562870 383462702 /nfs/dbraw/zinc/46/27/02/383462702.db2.gz IJIZNUHKSPLELZ-AAEUAGOBSA-N 2 0 260.372 2.694 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000635006743 383463476 /nfs/dbraw/zinc/46/34/76/383463476.db2.gz NFLJFOJKELZLCJ-DRZSPHRISA-N 2 0 267.442 2.928 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000635007185 383463555 /nfs/dbraw/zinc/46/35/55/383463555.db2.gz VDYQTHKOOYDTSH-KKUMJFAQSA-N 2 0 278.444 2.502 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635008709 383464098 /nfs/dbraw/zinc/46/40/98/383464098.db2.gz SKANPPVDNFUHNA-PBHICJAKSA-N 2 0 269.392 2.692 20 0 CFADRP [NH3+][C@H](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000635007428 383464744 /nfs/dbraw/zinc/46/47/44/383464744.db2.gz OIRNVYQUOBDZCT-AYOQOUSVSA-N 2 0 295.430 2.681 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c(C)n1 ZINC000635009091 383465159 /nfs/dbraw/zinc/46/51/59/383465159.db2.gz SXRJZGVJLMCMBJ-CXAGYDPISA-N 2 0 298.434 2.704 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000635009632 383465211 /nfs/dbraw/zinc/46/52/11/383465211.db2.gz JIVXVFZPEVXVDS-WMZOPIPTSA-N 2 0 288.435 2.626 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000635009629 383465396 /nfs/dbraw/zinc/46/53/96/383465396.db2.gz JIVXVFZPEVXVDS-AEFFLSMTSA-N 2 0 288.435 2.626 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635009392 383465657 /nfs/dbraw/zinc/46/56/57/383465657.db2.gz VCLHTFINDLFGBW-KBPBESRZSA-N 2 0 261.413 2.693 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010904 383466481 /nfs/dbraw/zinc/46/64/81/383466481.db2.gz LHDGXPTWQUESQB-PWSUYJOCSA-N 2 0 267.442 2.880 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000635010295 383466649 /nfs/dbraw/zinc/46/66/49/383466649.db2.gz JKXRSBSXMUAHMD-DZGCQCFKSA-N 2 0 278.444 2.893 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cncs1 ZINC000635012011 383467747 /nfs/dbraw/zinc/46/77/47/383467747.db2.gz SIPAXFBKZDZCPU-NSHDSACASA-N 2 0 273.405 2.640 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635012379 383468566 /nfs/dbraw/zinc/46/85/66/383468566.db2.gz LYPTXIIVLOYCAH-HRCADAONSA-N 2 0 280.456 2.833 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012932 383469108 /nfs/dbraw/zinc/46/91/08/383469108.db2.gz XHOTZNOKNLIRSR-GOSISDBHSA-N 2 0 293.414 2.895 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)C1 ZINC000635013109 383469783 /nfs/dbraw/zinc/46/97/83/383469783.db2.gz QOZRIMPOUZAJTI-ILXRZTDVSA-N 2 0 266.429 2.585 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CNc3ccccc32)[C@@H](C)C1 ZINC000635019602 383472378 /nfs/dbraw/zinc/47/23/78/383472378.db2.gz IVYXGWPEKZKRCJ-ZOBUZTSGSA-N 2 0 287.451 2.906 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@H](C)C1 ZINC000635019593 383472895 /nfs/dbraw/zinc/47/28/95/383472895.db2.gz IVYXGWPEKZKRCJ-INMHGKMJSA-N 2 0 287.451 2.906 20 0 CFADRP Cc1scc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1C ZINC000635024439 383474567 /nfs/dbraw/zinc/47/45/67/383474567.db2.gz XZYINJVOHNJXER-HZMBPMFUSA-N 2 0 252.427 2.843 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC1(C)C ZINC000487270049 383478283 /nfs/dbraw/zinc/47/82/83/383478283.db2.gz OZJHEPGSDRUMAE-LLLHUVSDSA-N 2 0 294.483 2.779 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H](C(C)C)N1CCCCCC1 ZINC000480536014 383417513 /nfs/dbraw/zinc/41/75/13/383417513.db2.gz MKVXATKBCZGYHG-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000450458058 383418363 /nfs/dbraw/zinc/41/83/63/383418363.db2.gz WYGQVKIMBAOAQK-CYBMUJFWSA-N 2 0 272.383 2.695 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488455436 383545251 /nfs/dbraw/zinc/54/52/51/383545251.db2.gz KBQBYOWWWIBKRZ-UONOGXRCSA-N 2 0 270.486 2.838 20 0 CFADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1C ZINC000261751348 383552556 /nfs/dbraw/zinc/55/25/56/383552556.db2.gz CDTSIVVNNXFUGE-KRWDZBQOSA-N 2 0 288.435 2.968 20 0 CFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000429570075 383548214 /nfs/dbraw/zinc/54/82/14/383548214.db2.gz AKBGIIPFRHWHGD-ZDUSSCGKSA-N 2 0 289.423 2.765 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000261726143 383548574 /nfs/dbraw/zinc/54/85/74/383548574.db2.gz KVBVPOVFDVKHSH-ZDUSSCGKSA-N 2 0 288.313 2.756 20 0 CFADRP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000569303184 383484978 /nfs/dbraw/zinc/48/49/78/383484978.db2.gz PSLIVTIPIIMVSV-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000428541661 383489141 /nfs/dbraw/zinc/48/91/41/383489141.db2.gz WBWSCUMGQMMSFL-INIZCTEOSA-N 2 0 282.391 2.998 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1CCC2 ZINC000257674829 383496270 /nfs/dbraw/zinc/49/62/70/383496270.db2.gz JKAOTBDCYPWUMY-SFHVURJKSA-N 2 0 270.420 2.751 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257686575 383498150 /nfs/dbraw/zinc/49/81/50/383498150.db2.gz IDFJQIMFTQVESW-ZDUSSCGKSA-N 2 0 262.372 2.962 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000261540127 383508671 /nfs/dbraw/zinc/50/86/71/383508671.db2.gz DTYUFWBEKRHGAM-WCQYABFASA-N 2 0 252.789 2.818 20 0 CFADRP CC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261541278 383508879 /nfs/dbraw/zinc/50/88/79/383508879.db2.gz JGXREHUCOGXJPU-CHWSQXEVSA-N 2 0 252.427 2.958 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC000528390338 383514298 /nfs/dbraw/zinc/51/42/98/383514298.db2.gz PAVJWBVQKMPVCM-QGZVFWFLSA-N 2 0 293.499 2.523 20 0 CFADRP C/C(Cl)=C/C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528392504 383516848 /nfs/dbraw/zinc/51/68/48/383516848.db2.gz DKSNAFRHYYOLAR-CPSFFCFKSA-N 2 0 286.847 2.706 20 0 CFADRP CC(C)[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1C ZINC000450843219 383517148 /nfs/dbraw/zinc/51/71/48/383517148.db2.gz JYGLDWRCDVWXNL-DLBZAZTESA-N 2 0 281.488 2.521 20 0 CFADRP CC(C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1C ZINC000450843223 383518205 /nfs/dbraw/zinc/51/82/05/383518205.db2.gz JYGLDWRCDVWXNL-IRXDYDNUSA-N 2 0 281.488 2.521 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)[C@@H]1OC ZINC000429312671 383518675 /nfs/dbraw/zinc/51/86/75/383518675.db2.gz CDCZFKCTDIEOMA-QXSJWSMHSA-N 2 0 282.472 2.900 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000569623917 383520808 /nfs/dbraw/zinc/52/08/08/383520808.db2.gz SCBWWQZTMKQWLU-CABCVRRESA-N 2 0 288.435 2.976 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261589153 383521839 /nfs/dbraw/zinc/52/18/39/383521839.db2.gz KNUZXNQDDIBGGC-IJEWVQPXSA-N 2 0 262.372 2.818 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261589155 383522326 /nfs/dbraw/zinc/52/23/26/383522326.db2.gz KNUZXNQDDIBGGC-SQWLQELKSA-N 2 0 262.372 2.818 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261589152 383523026 /nfs/dbraw/zinc/52/30/26/383523026.db2.gz KNUZXNQDDIBGGC-IIAWOOMASA-N 2 0 262.372 2.818 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000261596222 383524773 /nfs/dbraw/zinc/52/47/73/383524773.db2.gz FODZSQXFJPUYEZ-INIZCTEOSA-N 2 0 269.392 2.938 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261603002 383526944 /nfs/dbraw/zinc/52/69/44/383526944.db2.gz CCXSZQWTNPRLEJ-MRVWCRGKSA-N 2 0 296.361 2.890 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488409553 383531067 /nfs/dbraw/zinc/53/10/67/383531067.db2.gz HEAUVUBPRFZSSC-QLFBSQMISA-N 2 0 270.486 2.838 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC2(OC)CCC2)C1 ZINC000429446436 383531432 /nfs/dbraw/zinc/53/14/32/383531432.db2.gz JJIAJNNCLNDKHB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488418034 383533731 /nfs/dbraw/zinc/53/37/31/383533731.db2.gz XHFVNRKYMYEFIQ-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)C)C2)C1 ZINC000488426418 383534890 /nfs/dbraw/zinc/53/48/90/383534890.db2.gz SLOWLSOYQPKCRN-ILXRZTDVSA-N 2 0 270.486 2.838 20 0 CFADRP c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000569802352 383538447 /nfs/dbraw/zinc/53/84/47/383538447.db2.gz XANUMOVLWOECBI-SJORKVTESA-N 2 0 258.409 2.912 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000261654206 383538665 /nfs/dbraw/zinc/53/86/65/383538665.db2.gz BGGURDRMIGBJSU-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261868857 383572786 /nfs/dbraw/zinc/57/27/86/383572786.db2.gz YRWMBQWZKADSKW-CHWSQXEVSA-N 2 0 284.325 2.747 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000570143960 383575494 /nfs/dbraw/zinc/57/54/94/383575494.db2.gz OJWZAZYBAVNZNR-QWHCGFSZSA-N 2 0 290.436 2.541 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000570162046 383577602 /nfs/dbraw/zinc/57/76/02/383577602.db2.gz DUQKIPLPCROVDC-JGVFFNPUSA-N 2 0 266.332 2.982 20 0 CFADRP Cc1nc(C)c([C@H](C)N(C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000261904908 383577916 /nfs/dbraw/zinc/57/79/16/383577916.db2.gz WTPFUGMNSHXPHC-SMDDNHRTSA-N 2 0 267.442 2.752 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc3ccccc3n2)C1 ZINC000570174601 383579141 /nfs/dbraw/zinc/57/91/41/383579141.db2.gz BTJZTHNVDHEACW-GDBMZVCRSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261935258 383581963 /nfs/dbraw/zinc/58/19/63/383581963.db2.gz DDGWYFOUVSLUII-GDBMZVCRSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)C[C@H]1[NH3+] ZINC000261938409 383583288 /nfs/dbraw/zinc/58/32/88/383583288.db2.gz DLEOKVXPSWZOFD-CXAGYDPISA-N 2 0 274.408 2.787 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(-c2ccncc2)c1 ZINC000261943008 383583458 /nfs/dbraw/zinc/58/34/58/383583458.db2.gz DZEMYXNDULSXLW-LJQANCHMSA-N 2 0 293.414 2.934 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430924585 383612932 /nfs/dbraw/zinc/61/29/32/383612932.db2.gz JLFOGCVARIGMMY-HUUCEWRRSA-N 2 0 292.423 2.523 20 0 CFADRP Cc1ccc(OC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261958377 383586759 /nfs/dbraw/zinc/58/67/59/383586759.db2.gz GWQCGEBPVOHGPP-GOSISDBHSA-N 2 0 288.435 2.838 20 0 CFADRP CCCc1csc(C[NH+]2CCC(C[NH2+]CC)CC2)n1 ZINC000261963910 383587457 /nfs/dbraw/zinc/58/74/57/383587457.db2.gz POYVOCCJTIOJFB-UHFFFAOYSA-N 2 0 281.469 2.917 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261958639 383587884 /nfs/dbraw/zinc/58/78/84/383587884.db2.gz OXATXHXXEGXHRS-WCQYABFASA-N 2 0 250.361 2.557 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000261975319 383589060 /nfs/dbraw/zinc/58/90/60/383589060.db2.gz QUDXSLPMOODBLS-SQWLQELKSA-N 2 0 292.398 2.784 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000262000948 383592256 /nfs/dbraw/zinc/59/22/56/383592256.db2.gz UCYISLASDNXCEQ-KGLIPLIRSA-N 2 0 264.388 2.861 20 0 CFADRP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262011031 383593757 /nfs/dbraw/zinc/59/37/57/383593757.db2.gz VCCXBILOWFSBIB-CMPLNLGQSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000262013847 383594970 /nfs/dbraw/zinc/59/49/70/383594970.db2.gz VJYWOIJVPZGVOL-AGIUHOORSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000262034435 383597437 /nfs/dbraw/zinc/59/74/37/383597437.db2.gz OKAUAMOKSJWUMW-SJORKVTESA-N 2 0 276.399 2.832 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000262045467 383600095 /nfs/dbraw/zinc/60/00/95/383600095.db2.gz YYGPFFJOFTUFIN-UHFFFAOYSA-N 2 0 278.343 2.938 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC000430927909 383612425 /nfs/dbraw/zinc/61/24/25/383612425.db2.gz RZHCCAADUGXXHP-MRXNPFEDSA-N 2 0 276.424 2.614 20 0 CFADRP FC(F)Oc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430921202 383612466 /nfs/dbraw/zinc/61/24/66/383612466.db2.gz XMSGVHTUASWVDI-UHFFFAOYSA-N 2 0 296.361 2.864 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC[NH2+]C1 ZINC000262093971 383604219 /nfs/dbraw/zinc/60/42/19/383604219.db2.gz VAWRIZJCGRLDRW-SJORKVTESA-N 2 0 258.409 2.650 20 0 CFADRP Cc1cccc([C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262097085 383605409 /nfs/dbraw/zinc/60/54/09/383605409.db2.gz VHDSCSVEPCJDEF-SJORKVTESA-N 2 0 258.409 2.784 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000262125287 383607398 /nfs/dbraw/zinc/60/73/98/383607398.db2.gz XQCZEIIFEPYXFQ-PMPSAXMXSA-N 2 0 250.430 2.888 20 0 CFADRP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000261761732 383555265 /nfs/dbraw/zinc/55/52/65/383555265.db2.gz LLWFFSGEVXUWQT-NVXWUHKLSA-N 2 0 276.424 2.696 20 0 CFADRP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000261761737 383555630 /nfs/dbraw/zinc/55/56/30/383555630.db2.gz LLWFFSGEVXUWQT-WBVHZDCISA-N 2 0 276.424 2.696 20 0 CFADRP COCC[N@H+](C)CCCNCc1ccc(C)cc1Cl ZINC000569978764 383556249 /nfs/dbraw/zinc/55/62/49/383556249.db2.gz MLDNVBLWGUICTE-UHFFFAOYSA-N 2 0 284.831 2.706 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(Cc3cc4ccc(F)cc4[nH]3)[C@@H]2C1 ZINC000488534114 383556721 /nfs/dbraw/zinc/55/67/21/383556721.db2.gz AFYDYOBZSZJVNK-YVEFUNNKSA-N 2 0 287.382 2.833 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261770150 383557069 /nfs/dbraw/zinc/55/70/69/383557069.db2.gz DOJSRDFTXRFWGF-NJAFHUGGSA-N 2 0 272.436 2.939 20 0 CFADRP Fc1ccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000261810033 383564025 /nfs/dbraw/zinc/56/40/25/383564025.db2.gz RKTUKTGPDQNYMQ-HNNXBMFYSA-N 2 0 262.372 2.615 20 0 CFADRP Cc1ccc([C@]2(C)CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261821129 383565526 /nfs/dbraw/zinc/56/55/26/383565526.db2.gz IHSHLVRISNAXPZ-FUHWJXTLSA-N 2 0 272.436 2.958 20 0 CFADRP C[N@H+](Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261831939 383567241 /nfs/dbraw/zinc/56/72/41/383567241.db2.gz BQYQCRWJSNKMRB-BYICEURKSA-N 2 0 296.418 2.587 20 0 CFADRP COCc1cccc(C[N@H+](C)CCCn2ccnc2)c1 ZINC000341119387 383572036 /nfs/dbraw/zinc/57/20/36/383572036.db2.gz BXBOFQYVVPLWAC-UHFFFAOYSA-N 2 0 273.380 2.552 20 0 CFADRP C[N@H+](CCN(CC[NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000263091730 383654541 /nfs/dbraw/zinc/65/45/41/383654541.db2.gz YLVYBQJACKLZDM-UHFFFAOYSA-N 2 0 297.446 2.579 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263174480 383655732 /nfs/dbraw/zinc/65/57/32/383655732.db2.gz GATBUHKALPYSLK-WBVHZDCISA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430937317 383613518 /nfs/dbraw/zinc/61/35/18/383613518.db2.gz AWQWKGRGHJKNRS-HNNXBMFYSA-N 2 0 254.377 2.663 20 0 CFADRP c1ccc2cc(OCC[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000262561935 383627338 /nfs/dbraw/zinc/62/73/38/383627338.db2.gz VQDAAQUFVWNZMC-LJQANCHMSA-N 2 0 296.414 2.904 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789740 296350723 /nfs/dbraw/zinc/35/07/23/296350723.db2.gz YQUHEVJNXUUSMB-PMPSAXMXSA-N 2 0 280.456 2.500 20 0 CFADRP CCCC[N@H+](CCn1ccnc1)[C@@H]1CCCC[C@H]1OC ZINC000451652712 383676568 /nfs/dbraw/zinc/67/65/68/383676568.db2.gz QLKUXPBMNUQWBW-HZPDHXFCSA-N 2 0 279.428 2.943 20 0 CFADRP CCc1ccccc1[C@@H](N)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000572112148 383755230 /nfs/dbraw/zinc/75/52/30/383755230.db2.gz KNOPHXWJUSIRHS-DLBZAZTESA-N 2 0 298.434 2.650 20 0 CFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ncc(C)cc1C ZINC000645813338 383758287 /nfs/dbraw/zinc/75/82/87/383758287.db2.gz INIWKMYDMUZERV-SJORKVTESA-N 2 0 287.451 2.800 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453114518 383771574 /nfs/dbraw/zinc/77/15/74/383771574.db2.gz VUBCUJFKRNEJAX-INIZCTEOSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)c1cn[nH]c1 ZINC000453126840 383777115 /nfs/dbraw/zinc/77/71/15/383777115.db2.gz LEFZSLZNLJBWNF-IJEWVQPXSA-N 2 0 278.444 2.961 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncc1 ZINC000453129862 383778216 /nfs/dbraw/zinc/77/82/16/383778216.db2.gz KVHMLALZFJCBDA-XHSDSOJGSA-N 2 0 261.413 2.995 20 0 CFADRP CC(C)[C@@H](CO)[C@@H]([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000451600514 383665620 /nfs/dbraw/zinc/66/56/20/383665620.db2.gz RYHOKLUHTSZYKA-SJORKVTESA-N 2 0 284.488 2.741 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCC(C)(C)OC)CC1 ZINC000640014939 383672441 /nfs/dbraw/zinc/67/24/41/383672441.db2.gz AZGYKBPTQKEWED-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000571215756 383674155 /nfs/dbraw/zinc/67/41/55/383674155.db2.gz GWAXMHJPKZCVNJ-ZDUSSCGKSA-N 2 0 280.387 2.656 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000436402566 383812064 /nfs/dbraw/zinc/81/20/64/383812064.db2.gz YGKIJYNEYOOPLJ-WFASDCNBSA-N 2 0 270.380 2.854 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000436402565 383812650 /nfs/dbraw/zinc/81/26/50/383812650.db2.gz YGKIJYNEYOOPLJ-SWLSCSKDSA-N 2 0 270.380 2.854 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000436402564 383812674 /nfs/dbraw/zinc/81/26/74/383812674.db2.gz YGKIJYNEYOOPLJ-IUODEOHRSA-N 2 0 270.380 2.854 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCCO1 ZINC000640532202 383818174 /nfs/dbraw/zinc/81/81/74/383818174.db2.gz QWLAXPCQLSOJHV-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCOCC(F)(F)F ZINC000640531212 383818694 /nfs/dbraw/zinc/81/86/94/383818694.db2.gz LZMHLFGVNUNHDX-UHFFFAOYSA-N 2 0 296.377 2.763 20 0 CFADRP CCOCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530336 383818929 /nfs/dbraw/zinc/81/89/29/383818929.db2.gz CAGWNMLOLJTFLQ-UHFFFAOYSA-N 2 0 256.434 2.611 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@@H]1CCCO1 ZINC000640534040 383819880 /nfs/dbraw/zinc/81/98/80/383819880.db2.gz JONDCCRTGKIASB-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCO[C@H]1CCCCO1 ZINC000640533168 383819916 /nfs/dbraw/zinc/81/99/16/383819916.db2.gz NVAAWAXVCFNCSR-KRWDZBQOSA-N 2 0 298.471 2.728 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[NH2+]C(C)C ZINC000572510471 383789088 /nfs/dbraw/zinc/78/90/88/383789088.db2.gz PQUBXZLNKYNOML-OAHLLOKOSA-N 2 0 262.397 2.660 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H]2CCC[C@H]21 ZINC000453292214 383840122 /nfs/dbraw/zinc/84/01/22/383840122.db2.gz OSVXPTLKRPCBMZ-HRCADAONSA-N 2 0 287.451 2.822 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCO1 ZINC000453323514 383845433 /nfs/dbraw/zinc/84/54/33/383845433.db2.gz UKMZHTJDLWABMZ-WKULXVSPSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453401822 383852028 /nfs/dbraw/zinc/85/20/28/383852028.db2.gz FHSMCGCSGNFTQD-RKTXRCNFSA-N 2 0 280.456 2.533 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1(CO)CC=CC1 ZINC000646083846 383857262 /nfs/dbraw/zinc/85/72/62/383857262.db2.gz FPQGFUUSAMNZAS-QGZVFWFLSA-N 2 0 294.483 2.805 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453596941 383868100 /nfs/dbraw/zinc/86/81/00/383868100.db2.gz MJACZIQUVTYESK-CQSZACIVSA-N 2 0 276.424 2.787 20 0 CFADRP CCc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000453604313 383872577 /nfs/dbraw/zinc/87/25/77/383872577.db2.gz ZDUDIWPKGVAPHN-UHFFFAOYSA-N 2 0 250.386 2.806 20 0 CFADRP Cc1cccc2c(N[C@@H](C)C[NH+](C)C)c(C)c[nH+]c12 ZINC000436708404 383876010 /nfs/dbraw/zinc/87/60/10/383876010.db2.gz URXHCNGXGVXRLZ-ZDUSSCGKSA-N 2 0 257.381 2.636 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CF)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000646215068 383920072 /nfs/dbraw/zinc/92/00/72/383920072.db2.gz UWHKXXNXSMKYJD-LZWOXQAQSA-N 2 0 264.388 2.845 20 0 CFADRP COc1cc(CN2CCC[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000573444924 383930210 /nfs/dbraw/zinc/93/02/10/383930210.db2.gz INSUUCJURJZMCT-NSHDSACASA-N 2 0 298.814 2.528 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000569425250 322471137 /nfs/dbraw/zinc/47/11/37/322471137.db2.gz UMBHJWIKBNPHRD-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000532199242 383989083 /nfs/dbraw/zinc/98/90/83/383989083.db2.gz WIVFYKYXFLUFEE-RHSMWYFYSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532194164 383989158 /nfs/dbraw/zinc/98/91/58/383989158.db2.gz OTAACOBUORWTRS-CHWSQXEVSA-N 2 0 298.390 2.507 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000532224931 383996195 /nfs/dbraw/zinc/99/61/95/383996195.db2.gz LYTZKYUHFZXEJE-DDBAPUKQSA-N 2 0 272.436 2.938 20 0 CFADRP c1ccc(OCCCC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000438077169 383942272 /nfs/dbraw/zinc/94/22/72/383942272.db2.gz LFPRSVHTJFSRDH-INIZCTEOSA-N 2 0 288.435 2.920 20 0 CFADRP CC(C)[C@H](C[NH2+]CC[C@@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438074291 383942529 /nfs/dbraw/zinc/94/25/29/383942529.db2.gz ODUVHEQPOGWNTM-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP COC1CCN(C(C)(C)C[NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000531975478 383950771 /nfs/dbraw/zinc/95/07/71/383950771.db2.gz MWCRLMHOTNLPHO-INIZCTEOSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000531975436 383950883 /nfs/dbraw/zinc/95/08/83/383950883.db2.gz JAHWQBNMQNDMJN-MAUKXSAKSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000531978355 383951033 /nfs/dbraw/zinc/95/10/33/383951033.db2.gz KCQQHGHJFBAZGH-HJSHSUPBSA-N 2 0 276.399 2.989 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000574392847 384086655 /nfs/dbraw/zinc/08/66/55/384086655.db2.gz IPRHYKBGSXNKDJ-KNXALSJPSA-N 2 0 259.397 2.688 20 0 CFADRP COc1ccc(F)cc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000266017319 384055577 /nfs/dbraw/zinc/05/55/77/384055577.db2.gz VDCMUOFCBYQVAN-DOMZBBRYSA-N 2 0 280.387 2.749 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1C(C)(C)C1(C)C ZINC000533009987 384092190 /nfs/dbraw/zinc/09/21/90/384092190.db2.gz AZGAADJMWBQRRP-OAHLLOKOSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H](F)C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000440515098 384092806 /nfs/dbraw/zinc/09/28/06/384092806.db2.gz YERMJZQZBJSPFZ-KBPBESRZSA-N 2 0 299.459 2.953 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000574741922 384140617 /nfs/dbraw/zinc/14/06/17/384140617.db2.gz GZKAODXQNQWGRH-QGZVFWFLSA-N 2 0 297.402 2.825 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000266761214 384234215 /nfs/dbraw/zinc/23/42/15/384234215.db2.gz GQLXZWNRNSSTQK-RDJZCZTQSA-N 2 0 276.424 2.574 20 0 CFADRP COc1cccc2c(NC[C@H](C)[NH+](C)C)ccnc12 ZINC000277151168 384215204 /nfs/dbraw/zinc/21/52/04/384215204.db2.gz RMFPAWCNIDJTAZ-NSHDSACASA-N 2 0 259.353 2.605 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000637905270 384265269 /nfs/dbraw/zinc/26/52/69/384265269.db2.gz KBKLOKWXFVSLAJ-UHFFFAOYSA-N 2 0 293.430 2.962 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@](C)(OC)C2CC2)CC1 ZINC000637906271 384266689 /nfs/dbraw/zinc/26/66/89/384266689.db2.gz TYZQEBSDZOZPDL-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CSc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000641706855 384278329 /nfs/dbraw/zinc/27/83/29/384278329.db2.gz FSZPPDADPMCDKL-LLVKDONJSA-N 2 0 266.410 2.575 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccncc1N)N(C)C ZINC000641749369 384315562 /nfs/dbraw/zinc/31/55/62/384315562.db2.gz HNDSXKFEIOATAV-KDOFPFPSSA-N 2 0 298.434 2.753 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000641718299 384289316 /nfs/dbraw/zinc/28/93/16/384289316.db2.gz VSJWFVAXHNWEGY-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CN(C)[C@@]1(C[NH2+]Cc2cccc3[nH]ccc32)CCSC1 ZINC000267078844 384295023 /nfs/dbraw/zinc/29/50/23/384295023.db2.gz JZXFEQNIYSJLQA-MRXNPFEDSA-N 2 0 289.448 2.695 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000641732303 384301920 /nfs/dbraw/zinc/30/19/20/384301920.db2.gz HIHADTLQKNTOGZ-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641774267 384340180 /nfs/dbraw/zinc/34/01/80/384340180.db2.gz NYINVWBOXQPFLT-QGZVFWFLSA-N 2 0 288.435 2.574 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000641797669 384362740 /nfs/dbraw/zinc/36/27/40/384362740.db2.gz FLRGEUNXSGFBBF-CABCVRRESA-N 2 0 291.439 2.757 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C[C@@H]1[NH3+] ZINC000641800855 384366886 /nfs/dbraw/zinc/36/68/86/384366886.db2.gz HHFZMLQDSGOCAL-QWHCGFSZSA-N 2 0 286.778 2.573 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000277686203 384374787 /nfs/dbraw/zinc/37/47/87/384374787.db2.gz QAFRBYQUXAIYGC-WFASDCNBSA-N 2 0 280.362 2.894 20 0 CFADRP CSc1ccccc1[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423337087 533060018 /nfs/dbraw/zinc/06/00/18/533060018.db2.gz ACODVFZNYLCZOD-LBPRGKRZSA-N 2 0 262.422 2.979 20 0 CFADRP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC000277814436 384412162 /nfs/dbraw/zinc/41/21/62/384412162.db2.gz KSULILHJAMMDCV-QGZVFWFLSA-N 2 0 290.451 2.894 20 0 CFADRP CCC[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000638105297 384418563 /nfs/dbraw/zinc/41/85/63/384418563.db2.gz RBOHFYZHUZVSLQ-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)[C@@H](C)c2cnc(C)nc2C)C[C@@H]1C ZINC000638111538 384424427 /nfs/dbraw/zinc/42/44/27/384424427.db2.gz UTGFOPVFFIESCG-NOLJZWGESA-N 2 0 290.455 2.959 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCOc1cccc(Cl)c1 ZINC000641810014 384376007 /nfs/dbraw/zinc/37/60/07/384376007.db2.gz ZMERGWQUNGYBQG-KBPBESRZSA-N 2 0 282.815 2.824 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000641819937 384380043 /nfs/dbraw/zinc/38/00/43/384380043.db2.gz JASCYAVNYZXCGQ-TZMCWYRMSA-N 2 0 279.428 2.885 20 0 CFADRP Cc1nc(-c2ccccc2)oc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000641823073 384380686 /nfs/dbraw/zinc/38/06/86/384380686.db2.gz QAMNHRHIQLKXBY-IUODEOHRSA-N 2 0 285.391 2.962 20 0 CFADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000638066700 384388720 /nfs/dbraw/zinc/38/87/20/384388720.db2.gz LFTPMQPRDOUESO-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000638114922 384427880 /nfs/dbraw/zinc/42/78/80/384427880.db2.gz ZRBAORXMLYASLB-MRXNPFEDSA-N 2 0 297.487 2.522 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000348329790 220291541 /nfs/dbraw/zinc/29/15/41/220291541.db2.gz RKRVSKZCOMYLEM-QLFBSQMISA-N 2 0 270.461 2.758 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643057808 384488428 /nfs/dbraw/zinc/48/84/28/384488428.db2.gz AKQOLPSVKMNUOR-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP CO[C@H](C[NH2+]CCC[NH+]1CCCCC1)CC(C)C ZINC000638309633 384549126 /nfs/dbraw/zinc/54/91/26/384549126.db2.gz STTMXGKFKWSQED-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)N1CCCC[C@H]1C ZINC000638360321 384581834 /nfs/dbraw/zinc/58/18/34/384581834.db2.gz HYWMBZOFCBRMIP-SYQHCUMBSA-N 2 0 256.459 2.733 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000638360611 384584536 /nfs/dbraw/zinc/58/45/36/384584536.db2.gz XIEQCZAPYZGAPW-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000638362608 384586143 /nfs/dbraw/zinc/58/61/43/384586143.db2.gz CCFHDAAEAXYEMF-WXLSXGNJSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](C[NH2+]CC1CCSCC1)N1CCC[C@@H](C)C1 ZINC000638364180 384588920 /nfs/dbraw/zinc/58/89/20/384588920.db2.gz WULFATYZZFIQBF-KGLIPLIRSA-N 2 0 270.486 2.840 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000638333128 384566154 /nfs/dbraw/zinc/56/61/54/384566154.db2.gz OHZRHICKTFJWOR-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638381937 384610032 /nfs/dbraw/zinc/61/00/32/384610032.db2.gz QKYMSSWYRQLVIS-CQSZACIVSA-N 2 0 271.408 2.610 20 0 CFADRP CCC[NH+]1CCC(N(CCC[NH3+])c2ccccc2F)CC1 ZINC000680876414 542377350 /nfs/dbraw/zinc/37/73/50/542377350.db2.gz VVQFXZCFNJLQJT-UHFFFAOYSA-N 2 0 293.430 2.855 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000643374129 384619630 /nfs/dbraw/zinc/61/96/30/384619630.db2.gz XGWZLEMXOWAJFD-ROUUACIJSA-N 2 0 279.387 2.760 20 0 CFADRP CCOC1CC(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000638366005 384591757 /nfs/dbraw/zinc/59/17/57/384591757.db2.gz JPXZGMRTCNDEIH-GTPINHCMSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccns1 ZINC000638367813 384593331 /nfs/dbraw/zinc/59/33/31/384593331.db2.gz YIFJBTHLDHSGHY-ZDUSSCGKSA-N 2 0 267.442 2.887 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000638371267 384598654 /nfs/dbraw/zinc/59/86/54/384598654.db2.gz PFOVHBNTQHVWHE-UHFFFAOYSA-N 2 0 290.451 2.781 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000643346040 384599875 /nfs/dbraw/zinc/59/98/75/384599875.db2.gz UTBFOIHJFLORKB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000643498787 384662976 /nfs/dbraw/zinc/66/29/76/384662976.db2.gz VOSGCQCYYALESC-ZIAGYGMSSA-N 2 0 254.418 2.585 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000643499121 384663593 /nfs/dbraw/zinc/66/35/93/384663593.db2.gz VJGIMPRBOTZRQD-HNNXBMFYSA-N 2 0 250.361 2.792 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(c3ccnc4ccncc43)CC[C@H]21 ZINC000268811683 384665744 /nfs/dbraw/zinc/66/57/44/384665744.db2.gz HFEGECUDHBDJKK-XJKSGUPXSA-N 2 0 282.391 2.550 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000268823937 384668563 /nfs/dbraw/zinc/66/85/63/384668563.db2.gz SRBRZAPPIDGGHE-JJRVBVJISA-N 2 0 276.424 2.904 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453016 384635312 /nfs/dbraw/zinc/63/53/12/384635312.db2.gz CHMHGWUIIBFFFB-IHRRRGAJSA-N 2 0 295.858 2.882 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000643457089 384637019 /nfs/dbraw/zinc/63/70/19/384637019.db2.gz SUKXNBGPHGINFF-KBAYOESNSA-N 2 0 290.451 2.578 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456625 384637328 /nfs/dbraw/zinc/63/73/28/384637328.db2.gz OAOXYDCZXWHYKR-OLZOCXBDSA-N 2 0 272.314 2.717 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000643457271 384637359 /nfs/dbraw/zinc/63/73/59/384637359.db2.gz PUAUKWCTFKJDRW-NVXWUHKLSA-N 2 0 286.423 2.732 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456598 384637424 /nfs/dbraw/zinc/63/74/24/384637424.db2.gz MHAVCCVODHQCCD-MNOVXSKESA-N 2 0 274.330 2.963 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000643456914 384637496 /nfs/dbraw/zinc/63/74/96/384637496.db2.gz VIBLNWSICVOUGP-QLFBSQMISA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc3ccccc3n2)CC1 ZINC000643457515 384637687 /nfs/dbraw/zinc/63/76/87/384637687.db2.gz HZNJBVSKMHJPGA-UHFFFAOYSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000643458402 384639013 /nfs/dbraw/zinc/63/90/13/384639013.db2.gz VGPSJMFQMZQYHT-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643457569 384639183 /nfs/dbraw/zinc/63/91/83/384639183.db2.gz NAPUVPMGGQKVTP-LSDHHAIUSA-N 2 0 290.451 2.951 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000643457523 384640158 /nfs/dbraw/zinc/64/01/58/384640158.db2.gz IKZOWHHPWBEGQH-STQMWFEESA-N 2 0 264.413 2.688 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460279 384642245 /nfs/dbraw/zinc/64/22/45/384642245.db2.gz JIANIEXRGYQCQK-OLZOCXBDSA-N 2 0 284.407 2.698 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCC(=O)N2 ZINC000643463419 384644631 /nfs/dbraw/zinc/64/46/31/384644631.db2.gz JZBAHNCYZRCJQM-YGOACVGDSA-N 2 0 299.418 2.505 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000643465947 384644681 /nfs/dbraw/zinc/64/46/81/384644681.db2.gz BKZOCZPHYJYQJE-QMMMGPOBSA-N 2 0 278.293 2.850 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1COc2c1cccc2Cl ZINC000643466634 384646413 /nfs/dbraw/zinc/64/64/13/384646413.db2.gz JXZUZNLIXUIBHC-GWCFXTLKSA-N 2 0 268.788 2.881 20 0 CFADRP CCC1(O)CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643474201 384652607 /nfs/dbraw/zinc/65/26/07/384652607.db2.gz NSTFSUGKFJUGPQ-HHBUMJEXSA-N 2 0 274.408 2.805 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643474182 384652874 /nfs/dbraw/zinc/65/28/74/384652874.db2.gz MNDJHQRQKOFMJY-XTJLLSPMSA-N 2 0 294.483 2.971 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(CO)cc1 ZINC000643478204 384656350 /nfs/dbraw/zinc/65/63/50/384656350.db2.gz CGXAQECSYBZFNK-YJBOKZPZSA-N 2 0 290.451 2.622 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC1([NH3+])CCCCC1 ZINC000643496499 384661658 /nfs/dbraw/zinc/66/16/58/384661658.db2.gz KGDGCUZBALQSEZ-GFCCVEGCSA-N 2 0 252.427 2.930 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CC1CC[NH2+]CC1)C2 ZINC000643497206 384661853 /nfs/dbraw/zinc/66/18/53/384661853.db2.gz SAOGWTVVVBKGHR-QGZVFWFLSA-N 2 0 258.409 2.523 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638446398 384662559 /nfs/dbraw/zinc/66/25/59/384662559.db2.gz WNYHMYCPUVZVCN-TZMCWYRMSA-N 2 0 298.377 2.760 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(C)s1 ZINC000643541937 384723027 /nfs/dbraw/zinc/72/30/27/384723027.db2.gz VHLZUACSGQOKDB-GWCFXTLKSA-N 2 0 267.442 2.943 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000643542742 384723088 /nfs/dbraw/zinc/72/30/88/384723088.db2.gz RJOOYXISOZDIEF-OSQNNJELSA-N 2 0 266.335 2.669 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545795 384723875 /nfs/dbraw/zinc/72/38/75/384723875.db2.gz CJIMVFPXZQPJJB-XJKSGUPXSA-N 2 0 286.419 2.947 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCO2 ZINC000643546000 384724553 /nfs/dbraw/zinc/72/45/53/384724553.db2.gz GYPRSKQXRSHOHE-GXTWGEPZSA-N 2 0 288.391 2.741 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545194 384725047 /nfs/dbraw/zinc/72/50/47/384725047.db2.gz LRRFVZHCJDYOHC-QWHCGFSZSA-N 2 0 252.427 2.801 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)C2 ZINC000643545376 384725440 /nfs/dbraw/zinc/72/54/40/384725440.db2.gz GNNJBAVFNDGYLQ-IAGOWNOFSA-N 2 0 258.409 2.666 20 0 CFADRP [NH3+]C[C@@H](N[C@@H]1CCCc2cccnc21)C1CCCCC1 ZINC000643511393 384681665 /nfs/dbraw/zinc/68/16/65/384681665.db2.gz AXQOEWWNJBJIBO-HZPDHXFCSA-N 2 0 273.424 2.956 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000643512090 384681965 /nfs/dbraw/zinc/68/19/65/384681965.db2.gz KFRKLTIAESITOJ-ZMLRMANQSA-N 2 0 253.415 2.620 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)s1 ZINC000643518198 384684632 /nfs/dbraw/zinc/68/46/32/384684632.db2.gz ZSWQGUXVIRJBQQ-SNVBAGLBSA-N 2 0 267.442 2.800 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000643521975 384686344 /nfs/dbraw/zinc/68/63/44/384686344.db2.gz GCICAJVQRHSLGS-CMPLNLGQSA-N 2 0 267.442 2.807 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643521724 384687371 /nfs/dbraw/zinc/68/73/71/384687371.db2.gz ZQMRRYLRWCIWRJ-YOEHRIQHSA-N 2 0 274.408 2.804 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000643522732 384688357 /nfs/dbraw/zinc/68/83/57/384688357.db2.gz ATVFFPCXYQYMBV-SJORKVTESA-N 2 0 258.409 2.666 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000643522601 384689245 /nfs/dbraw/zinc/68/92/45/384689245.db2.gz PVGOSLRZPXKCBF-UAGQMJEPSA-N 2 0 288.435 2.964 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000643523965 384691124 /nfs/dbraw/zinc/69/11/24/384691124.db2.gz QSWPUEAJMLUKNA-MSOLQXFVSA-N 2 0 279.387 2.524 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522871 384691990 /nfs/dbraw/zinc/69/19/90/384691990.db2.gz UCVBHIVXBNSMQV-CZUORRHYSA-N 2 0 290.407 2.641 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000643524103 384692191 /nfs/dbraw/zinc/69/21/91/384692191.db2.gz IYPLKWIBSIRCOL-SRVKXCTJSA-N 2 0 292.452 2.864 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643524504 384694141 /nfs/dbraw/zinc/69/41/41/384694141.db2.gz SAOIKCQBIMBDHO-COXVUDFISA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC000643525802 384694562 /nfs/dbraw/zinc/69/45/62/384694562.db2.gz OOFAPMAKKQDCHQ-XDMRBOTDSA-N 2 0 266.335 2.682 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1OC ZINC000643548933 384726923 /nfs/dbraw/zinc/72/69/23/384726923.db2.gz XSUQXVZBUGWYQJ-KFWWJZLASA-N 2 0 280.456 2.844 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534472 384705439 /nfs/dbraw/zinc/70/54/39/384705439.db2.gz VVEKIHWAHCJWNZ-NEPJUHHUSA-N 2 0 250.411 2.849 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534474 384705515 /nfs/dbraw/zinc/70/55/15/384705515.db2.gz VVEKIHWAHCJWNZ-RYUDHWBXSA-N 2 0 250.411 2.849 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCC2 ZINC000643534288 384706018 /nfs/dbraw/zinc/70/60/18/384706018.db2.gz PVDSMNPAXHNDOV-CXAGYDPISA-N 2 0 270.420 2.968 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000643533731 384706085 /nfs/dbraw/zinc/70/60/85/384706085.db2.gz CMAXPXPOLYRWCH-TVQRCGJNSA-N 2 0 284.325 2.897 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535042 384707313 /nfs/dbraw/zinc/70/73/13/384707313.db2.gz ICZOFGVXMXJOOV-KCXAZCMYSA-N 2 0 256.393 2.652 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534831 384707366 /nfs/dbraw/zinc/70/73/66/384707366.db2.gz DJNHAOSUSBQGRC-SOUVJXGZSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534779 384707435 /nfs/dbraw/zinc/70/74/35/384707435.db2.gz CKPXDXXYWVGPPM-OCCSQVGLSA-N 2 0 264.438 2.801 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535041 384707482 /nfs/dbraw/zinc/70/74/82/384707482.db2.gz ICZOFGVXMXJOOV-DAXOMENPSA-N 2 0 256.393 2.652 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1nc2c(s1)CCCC2 ZINC000643534996 384707705 /nfs/dbraw/zinc/70/77/05/384707705.db2.gz HFNQCQROHXLACU-FZMZJTMJSA-N 2 0 291.464 2.815 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534832 384707726 /nfs/dbraw/zinc/70/77/26/384707726.db2.gz DJNHAOSUSBQGRC-ZNMIVQPWSA-N 2 0 250.430 2.933 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535010 384707792 /nfs/dbraw/zinc/70/77/92/384707792.db2.gz HHOLLVXMCKKCFP-YPMHNXCESA-N 2 0 291.464 2.815 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534676 384707981 /nfs/dbraw/zinc/70/79/81/384707981.db2.gz ZYIFILHOFVHCED-LSDHHAIUSA-N 2 0 260.356 2.545 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000643535079 384709275 /nfs/dbraw/zinc/70/92/75/384709275.db2.gz IQOQOVGHAPOXDE-PWSUYJOCSA-N 2 0 279.453 2.807 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccnn1-c1ccccc1 ZINC000643535285 384709317 /nfs/dbraw/zinc/70/93/17/384709317.db2.gz ARNBKVATXYWTPV-RHSMWYFYSA-N 2 0 296.418 2.665 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535861 384709635 /nfs/dbraw/zinc/70/96/35/384709635.db2.gz PNBOAOQFIUSKIW-HOTGVXAUSA-N 2 0 271.408 2.665 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535863 384709658 /nfs/dbraw/zinc/70/96/58/384709658.db2.gz PNBOAOQFIUSKIW-JKSUJKDBSA-N 2 0 271.408 2.665 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(F)c1F ZINC000643535212 384709686 /nfs/dbraw/zinc/70/96/86/384709686.db2.gz KMVVWLDJGUHVRV-MFKMUULPSA-N 2 0 266.335 2.758 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1OC ZINC000643548935 384727558 /nfs/dbraw/zinc/72/75/58/384727558.db2.gz XSUQXVZBUGWYQJ-RRFJBIMHSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000643536284 384711050 /nfs/dbraw/zinc/71/10/50/384711050.db2.gz PNSLCMXWZALMDM-DGCLKSJQSA-N 2 0 250.411 2.849 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cs1 ZINC000643536286 384711789 /nfs/dbraw/zinc/71/17/89/384711789.db2.gz PNSLCMXWZALMDM-YPMHNXCESA-N 2 0 250.411 2.849 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000643536662 384711993 /nfs/dbraw/zinc/71/19/93/384711993.db2.gz UIEJQLJGMCWVLO-STQMWFEESA-N 2 0 250.411 2.931 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536974 384712968 /nfs/dbraw/zinc/71/29/68/384712968.db2.gz XSIPDKMBNQUNQK-GDBMZVCRSA-N 2 0 272.392 2.632 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c(C)n1 ZINC000643541924 384721352 /nfs/dbraw/zinc/72/13/52/384721352.db2.gz SZPHPCZAUBTYRC-HIFRSBDPSA-N 2 0 261.413 2.881 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000643541925 384721553 /nfs/dbraw/zinc/72/15/53/384721553.db2.gz SZPHPCZAUBTYRC-UKRRQHHQSA-N 2 0 261.413 2.881 20 0 CFADRP COCC1(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CCC1 ZINC000638602558 384775150 /nfs/dbraw/zinc/77/51/50/384775150.db2.gz DJRXTQREIVJFIR-CQSZACIVSA-N 2 0 270.461 2.759 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+]CC1CCSCC1 ZINC000638605153 384776912 /nfs/dbraw/zinc/77/69/12/384776912.db2.gz JEGKMXCVUCRHID-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000643549093 384729754 /nfs/dbraw/zinc/72/97/54/384729754.db2.gz AAMXQLZHJMCZGH-CAOSSQGBSA-N 2 0 273.424 2.737 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](OC)[C@H](C)CC)CC1 ZINC000638562770 384742501 /nfs/dbraw/zinc/74/25/01/384742501.db2.gz BTMFNKYWOZUJFQ-GDBMZVCRSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638562739 384742755 /nfs/dbraw/zinc/74/27/55/384742755.db2.gz BGTNHMXYDDCAAD-OCCSQVGLSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566551 384745973 /nfs/dbraw/zinc/74/59/73/384745973.db2.gz LROCTROKUICKTA-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCn1ccnc1C ZINC000279758754 384749613 /nfs/dbraw/zinc/74/96/13/384749613.db2.gz QZWMPRYQNPHUFG-PBHICJAKSA-N 2 0 287.407 2.947 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000638582495 384755058 /nfs/dbraw/zinc/75/50/58/384755058.db2.gz OULBPLQDLKVSBE-QGZVFWFLSA-N 2 0 258.409 2.611 20 0 CFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000643800123 384765424 /nfs/dbraw/zinc/76/54/24/384765424.db2.gz YNZBMCDPRBZLDK-QGZVFWFLSA-N 2 0 286.419 2.803 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000638682333 384831547 /nfs/dbraw/zinc/83/15/47/384831547.db2.gz ULZAYBFPDRVXHV-JKSUJKDBSA-N 2 0 280.456 2.558 20 0 CFADRP COC[C@H]([NH2+]C[C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423294089 533090622 /nfs/dbraw/zinc/09/06/22/533090622.db2.gz BGGIWBALSLECRY-MFKMUULPSA-N 2 0 290.329 2.577 20 0 CFADRP Cc1ccncc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000269598800 384799465 /nfs/dbraw/zinc/79/94/65/384799465.db2.gz VMUYOBLRFNVURA-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP Cc1ccncc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269607146 384802527 /nfs/dbraw/zinc/80/25/27/384802527.db2.gz AGEOBVRYEWWQIH-CRAIPNDOSA-N 2 0 285.435 2.839 20 0 CFADRP CO[C@@H](C[NH2+]CCC[NH+](C(C)C)C(C)C)C1CC1 ZINC000638736001 384876772 /nfs/dbraw/zinc/87/67/72/384876772.db2.gz RDWOXMNVMQAQBS-HNNXBMFYSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000680992473 542395719 /nfs/dbraw/zinc/39/57/19/542395719.db2.gz KSFGRKOJUCKLJV-NJAFHUGGSA-N 2 0 290.451 2.615 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2N)CC1 ZINC000638693708 384840624 /nfs/dbraw/zinc/84/06/24/384840624.db2.gz WBFBITASMBKLLB-UHFFFAOYSA-N 2 0 279.403 2.620 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000638723084 384867119 /nfs/dbraw/zinc/86/71/19/384867119.db2.gz XZALVCDFSCAINZ-UHFFFAOYSA-N 2 0 281.469 2.991 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000644522355 384917610 /nfs/dbraw/zinc/91/76/10/384917610.db2.gz PBFHXCGIIGWDGV-MAUKXSAKSA-N 2 0 290.451 2.779 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000269956600 384919127 /nfs/dbraw/zinc/91/91/27/384919127.db2.gz KNUONUCIUKBLHK-HZPDHXFCSA-N 2 0 298.434 2.561 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000269956603 384919316 /nfs/dbraw/zinc/91/93/16/384919316.db2.gz KNUONUCIUKBLHK-JKSUJKDBSA-N 2 0 298.434 2.561 20 0 CFADRP c1cncc([C@@H]([NH2+]CCC[NH+]2CCCC2)C2CCC2)c1 ZINC000280247139 384944041 /nfs/dbraw/zinc/94/40/41/384944041.db2.gz IPYZLEKVWWGGDS-KRWDZBQOSA-N 2 0 273.424 2.998 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc(F)c2N)c1 ZINC000638852642 384987096 /nfs/dbraw/zinc/98/70/96/384987096.db2.gz ZQDOWTLCMNJUQA-UHFFFAOYSA-N 2 0 287.382 2.759 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423387440 285150672 /nfs/dbraw/zinc/15/06/72/285150672.db2.gz MUIWTJYGBKGVPE-WMLDXEAASA-N 2 0 274.408 2.585 20 0 CFADRP Cc1scc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1C ZINC000638918476 385029871 /nfs/dbraw/zinc/02/98/71/385029871.db2.gz RCGRRDALXVMDMT-HIFRSBDPSA-N 2 0 264.438 2.891 20 0 CFADRP COCCC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000270388802 385083548 /nfs/dbraw/zinc/08/35/48/385083548.db2.gz XUCIXKMEPMKQEC-OAHLLOKOSA-N 2 0 287.407 2.846 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639047726 385123813 /nfs/dbraw/zinc/12/38/13/385123813.db2.gz QBHRDVSFHAHAEU-LLVKDONJSA-N 2 0 296.377 2.542 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000270431638 385102200 /nfs/dbraw/zinc/10/22/00/385102200.db2.gz IBYGBSQEDAEVKF-AWEZNQCLSA-N 2 0 276.424 2.561 20 0 CFADRP CC(C)C(C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000639094622 385181670 /nfs/dbraw/zinc/18/16/70/385181670.db2.gz SFMCJGJJQOHHMP-UHFFFAOYSA-N 2 0 284.488 2.740 20 0 CFADRP Cc1nccn1CCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000270681858 385187767 /nfs/dbraw/zinc/18/77/67/385187767.db2.gz VAVFAVXTBYIFEJ-RHSMWYFYSA-N 2 0 285.391 2.654 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282128735 385220237 /nfs/dbraw/zinc/22/02/37/385220237.db2.gz BGQCLBFRGZKJDH-AWEZNQCLSA-N 2 0 297.446 2.957 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000282128744 385220467 /nfs/dbraw/zinc/22/04/67/385220467.db2.gz BGQCLBFRGZKJDH-CQSZACIVSA-N 2 0 297.446 2.957 20 0 CFADRP CO[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CC(C)C ZINC000639123443 385222933 /nfs/dbraw/zinc/22/29/33/385222933.db2.gz AWLXRFRJMURISD-GPANFISMSA-N 2 0 268.445 2.654 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000645188544 385233096 /nfs/dbraw/zinc/23/30/96/385233096.db2.gz FWFUVNKUSGNMIA-SFHVURJKSA-N 2 0 287.451 2.670 20 0 CFADRP c1nc2ccccn2c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000645198556 385238503 /nfs/dbraw/zinc/23/85/03/385238503.db2.gz OVZMXJHVLMYFEO-UHFFFAOYSA-N 2 0 286.423 2.690 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423203926 533110024 /nfs/dbraw/zinc/11/00/24/533110024.db2.gz CXILBZBTJDGJME-KGLIPLIRSA-N 2 0 292.423 2.662 20 0 CFADRP C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CC1CCSCC1 ZINC000639190288 385304919 /nfs/dbraw/zinc/30/49/19/385304919.db2.gz SZICVQPPRHGEQH-HIFRSBDPSA-N 2 0 268.470 2.688 20 0 CFADRP CC[C@@H](O)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271036324 385313948 /nfs/dbraw/zinc/31/39/48/385313948.db2.gz ROQXFVRPPGDSJC-ZWKOTPCHSA-N 2 0 290.451 2.744 20 0 CFADRP CC(C)C1(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000639163451 385266190 /nfs/dbraw/zinc/26/61/90/385266190.db2.gz VDYSBSRJAMEJHT-YIONKMFJSA-N 2 0 250.430 2.980 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000282291323 385274301 /nfs/dbraw/zinc/27/43/01/385274301.db2.gz BZKPTJOOACQERD-RCCFBDPRSA-N 2 0 288.435 2.553 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)C)CC1 ZINC000639203424 385323375 /nfs/dbraw/zinc/32/33/75/385323375.db2.gz VGGVWIXCBZIARE-UHFFFAOYSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000282386803 385299672 /nfs/dbraw/zinc/29/96/72/385299672.db2.gz QXGRRQSLZZRQAB-BBRMVZONSA-N 2 0 271.408 2.783 20 0 CFADRP CO[C@@](C)(C[NH2+]CCCCC[NH+]1CCCC1)C1CC1 ZINC000639209842 385332920 /nfs/dbraw/zinc/33/29/20/385332920.db2.gz FKPVZLMJMHQWID-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282532933 385336058 /nfs/dbraw/zinc/33/60/58/385336058.db2.gz QPKGZNYEYOKGJZ-NVXWUHKLSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000282676793 385367596 /nfs/dbraw/zinc/36/75/96/385367596.db2.gz JLILLQGTYIKSRG-DZGCQCFKSA-N 2 0 271.408 2.783 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000282676796 385367952 /nfs/dbraw/zinc/36/79/52/385367952.db2.gz JLILLQGTYIKSRG-ZFWWWQNUSA-N 2 0 271.408 2.783 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000639261257 385390361 /nfs/dbraw/zinc/39/03/61/385390361.db2.gz MDZUUBYREHCCTK-DOTOQJQBSA-N 2 0 294.483 2.638 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)ccc12 ZINC000639256866 385385169 /nfs/dbraw/zinc/38/51/69/385385169.db2.gz NGZZUQJVKDFZHJ-YUELXQCFSA-N 2 0 255.365 2.860 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CCSCC3)C2)C1 ZINC000639207304 385327966 /nfs/dbraw/zinc/32/79/66/385327966.db2.gz GJOOPRNYHDCONH-HNNXBMFYSA-N 2 0 268.470 2.547 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc4nccnc4c3)C2)C1 ZINC000639207647 385328165 /nfs/dbraw/zinc/32/81/65/385328165.db2.gz JKKOQMWWZBDFLQ-SFHVURJKSA-N 2 0 296.418 2.548 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271902768 385396437 /nfs/dbraw/zinc/39/64/37/385396437.db2.gz VXSZXIXKZZRBCU-OAHLLOKOSA-N 2 0 258.409 2.778 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]CC1CCSCC1 ZINC000639288868 385415873 /nfs/dbraw/zinc/41/58/73/385415873.db2.gz JPJGNVGLOSTTJG-UHFFFAOYSA-N 2 0 258.475 2.697 20 0 CFADRP CO[C@@H](CN1CC[C@H](C[NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000283159078 385441413 /nfs/dbraw/zinc/44/14/13/385441413.db2.gz OXLBTCQSNMILCH-CJNGLKHVSA-N 2 0 296.842 2.911 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@@H]1CCN1C1CCCCC1)OC ZINC000639345623 385469492 /nfs/dbraw/zinc/46/94/92/385469492.db2.gz NIUHRDXIBGHXHP-JKSUJKDBSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@](C)(C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375070 385492326 /nfs/dbraw/zinc/49/23/26/385492326.db2.gz PXQIJNVKNIHWCO-INIZCTEOSA-N 2 0 268.445 2.752 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369215240 285179327 /nfs/dbraw/zinc/17/93/27/285179327.db2.gz OGBLLSKEKGVZCU-RDHHWEPZSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[NH2+][C@@H]1CCCN(Cc2cccc3c2CCOC3)C1 ZINC000639530220 385574003 /nfs/dbraw/zinc/57/40/03/385574003.db2.gz QRSOJYVPFITWIX-QGZVFWFLSA-N 2 0 288.435 2.722 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CC(C)(C)CO2)CC1 ZINC000639509990 385565938 /nfs/dbraw/zinc/56/59/38/385565938.db2.gz RWZYYTXKRFEOIG-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286195350 385570458 /nfs/dbraw/zinc/57/04/58/385570458.db2.gz RKKZGIHUDCTMFW-SJLPKXTDSA-N 2 0 289.467 2.672 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000272723862 385597264 /nfs/dbraw/zinc/59/72/64/385597264.db2.gz GEPUQROHEQNIRL-QWHCGFSZSA-N 2 0 277.412 2.636 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C(C)C)cc1 ZINC000423280392 533132811 /nfs/dbraw/zinc/13/28/11/533132811.db2.gz UBLVTSQLEOQWIX-HOTGVXAUSA-N 2 0 264.413 2.965 20 0 CFADRP COc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639681068 385659156 /nfs/dbraw/zinc/65/91/56/385659156.db2.gz ABVAKFZSWOECSN-UHFFFAOYSA-N 2 0 297.402 2.803 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000272948926 385663570 /nfs/dbraw/zinc/66/35/70/385663570.db2.gz NQOGOKIYNSRDGO-UHFFFAOYSA-N 2 0 274.383 2.923 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2cccnc2)C1 ZINC000639697054 385671785 /nfs/dbraw/zinc/67/17/85/385671785.db2.gz VFPXPWVFEBTYJH-SJORKVTESA-N 2 0 273.424 2.745 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639759864 385699431 /nfs/dbraw/zinc/69/94/31/385699431.db2.gz MCMRXXWNENTHNL-UHFFFAOYSA-N 2 0 288.435 2.655 20 0 CFADRP COCC1(C[NH2+]C(C2CCC2)C2CCC2)CC[NH2+]CC1 ZINC000423407535 533140895 /nfs/dbraw/zinc/14/08/95/533140895.db2.gz MNRRRHPSSHSZLW-UHFFFAOYSA-N 2 0 280.456 2.561 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccccc2Cl)CC1 ZINC000274213256 385739736 /nfs/dbraw/zinc/73/97/36/385739736.db2.gz IQVNCBYBWJHBDI-MRXNPFEDSA-N 2 0 296.842 2.621 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2cc(C)ccc2C)CC[C@@H]1[NH3+] ZINC000122766357 413009801 /nfs/dbraw/zinc/00/98/01/413009801.db2.gz QZHNPQLDLNUEGV-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977995 385905966 /nfs/dbraw/zinc/90/59/66/385905966.db2.gz YVFVFDSBCNFQPH-SOLBZPMBSA-N 2 0 290.451 2.505 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H]1c1cccn1C ZINC000276878718 386067399 /nfs/dbraw/zinc/06/73/99/386067399.db2.gz IOXKXVBVAOMDQG-MRXNPFEDSA-N 2 0 263.429 2.894 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCCC1 ZINC000453408158 285235088 /nfs/dbraw/zinc/23/50/88/285235088.db2.gz SIDHLFAJWNMVHP-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000681058675 542406807 /nfs/dbraw/zinc/40/68/07/542406807.db2.gz VECYGLMOLDQLHU-IAOVAPTHSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093509129 184685188 /nfs/dbraw/zinc/68/51/88/184685188.db2.gz UQLIWFHMFYUPCP-GOEBONIOSA-N 2 0 261.413 2.525 20 0 CFADRP Fc1cncc([C@H](NCCC[NH+]2CCCC2)C2CC2)c1 ZINC000281295246 195185205 /nfs/dbraw/zinc/18/52/05/195185205.db2.gz QSKDDGXSTMJWCL-MRXNPFEDSA-N 2 0 277.387 2.747 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c2ccccc2n1 ZINC000129012046 413027697 /nfs/dbraw/zinc/02/76/97/413027697.db2.gz VDUNCKPTCYVTDF-ZFWWWQNUSA-N 2 0 269.392 2.855 20 0 CFADRP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000354899759 285302273 /nfs/dbraw/zinc/30/22/73/285302273.db2.gz VVPZVVQAELBTJZ-MSOLQXFVSA-N 2 0 294.483 2.878 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423221684 533222212 /nfs/dbraw/zinc/22/22/12/533222212.db2.gz XQJLHSMKTWGTMI-WOPDTQHZSA-N 2 0 297.830 2.782 20 0 CFADRP FC(F)(F)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000682029402 542507829 /nfs/dbraw/zinc/50/78/29/542507829.db2.gz NBORZXNHCKBYSG-GFCCVEGCSA-N 2 0 264.335 2.747 20 0 CFADRP COC[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512329810 285352882 /nfs/dbraw/zinc/35/28/82/285352882.db2.gz IGFKLBXCRIFQEY-BQFCYCMXSA-N 2 0 290.451 2.912 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447903 285393245 /nfs/dbraw/zinc/39/32/45/285393245.db2.gz UOVKHDRPDQCZMV-YESZJQIVSA-N 2 0 286.419 2.747 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000158608149 285399219 /nfs/dbraw/zinc/39/92/19/285399219.db2.gz JIEMOAVFLMCZBR-UXLLHSPISA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000414963606 533266348 /nfs/dbraw/zinc/26/63/48/533266348.db2.gz LATLCOWQLCJBDT-IRXDYDNUSA-N 2 0 288.435 2.674 20 0 CFADRP COc1ccc2cc([C@H](C)[NH2+]CC3C[NH2+]C3)ccc2c1 ZINC000423305270 533337657 /nfs/dbraw/zinc/33/76/57/533337657.db2.gz QILSQXXKMWWEBR-LBPRGKRZSA-N 2 0 270.376 2.718 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1F ZINC000423321046 533355065 /nfs/dbraw/zinc/35/50/65/533355065.db2.gz FXJIMZDBQGDCCR-GFCCVEGCSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc2c(s1)CCC2 ZINC000423327460 533361076 /nfs/dbraw/zinc/36/10/76/533361076.db2.gz NEJFAWNWEGWKTA-SNVBAGLBSA-N 2 0 250.411 2.769 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423333917 533368868 /nfs/dbraw/zinc/36/88/68/533368868.db2.gz WJXOJPVJZDUARX-LLVKDONJSA-N 2 0 258.340 2.849 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423303427 533369170 /nfs/dbraw/zinc/36/91/70/533369170.db2.gz LNMXRHDIKJMHRW-SECBINFHSA-N 2 0 258.287 2.575 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1C ZINC000414067411 533377682 /nfs/dbraw/zinc/37/76/82/533377682.db2.gz AHADYPIHFFTBQL-IBEHDNSVSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422782587 533386818 /nfs/dbraw/zinc/38/68/18/533386818.db2.gz JUFLESJCDXOANG-HLLBOEOZSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000414857456 533445117 /nfs/dbraw/zinc/44/51/17/533445117.db2.gz PMVGIHWXTLCMNS-ZYHUDNBSSA-N 2 0 270.779 2.957 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423379988 533400810 /nfs/dbraw/zinc/40/08/10/533400810.db2.gz MLRRKUDUGSIGAM-YHUYYLMFSA-N 2 0 296.455 2.619 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423254432 533403061 /nfs/dbraw/zinc/40/30/61/533403061.db2.gz YBDBHVVPBLDTCT-ZIAGYGMSSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423299383 533408352 /nfs/dbraw/zinc/40/83/52/533408352.db2.gz PZQBYGNHCXWBED-UONOGXRCSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)s1 ZINC000423299932 533408385 /nfs/dbraw/zinc/40/83/85/533408385.db2.gz QOBRFIVHIBLQQZ-JGVFFNPUSA-N 2 0 277.231 2.756 20 0 CFADRP COc1c(C)cnc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414718120 533410610 /nfs/dbraw/zinc/41/06/10/533410610.db2.gz VKALWPXBVAZYMS-DZGCQCFKSA-N 2 0 291.439 2.527 20 0 CFADRP C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422727053 533416143 /nfs/dbraw/zinc/41/61/43/533416143.db2.gz BJVXIXCTQVIICE-NJAFHUGGSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422906123 533428391 /nfs/dbraw/zinc/42/83/91/533428391.db2.gz JEPZWDVKQGJKGH-LZLYRXPVSA-N 2 0 289.467 2.627 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422936437 533457717 /nfs/dbraw/zinc/45/77/17/533457717.db2.gz BPQLKAGPYLGABZ-RDJZCZTQSA-N 2 0 276.424 2.735 20 0 CFADRP COc1ccc(C2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414882078 533432912 /nfs/dbraw/zinc/43/29/12/533432912.db2.gz LXCLKHNTYPOXJK-AVVWSFFYSA-N 2 0 274.408 2.673 20 0 CFADRP COc1ccc(CC[N@H+](CCC[NH3+])CC(C)C)cc1OC ZINC000414718941 533477559 /nfs/dbraw/zinc/47/75/59/533477559.db2.gz ZXOZFPARSJDBSN-UHFFFAOYSA-N 2 0 294.439 2.553 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC(C)(C)c1ccccc1)C1C[NH2+]C1 ZINC000422717433 533495868 /nfs/dbraw/zinc/49/58/68/533495868.db2.gz OMBPZVWAGOZUAM-UONOGXRCSA-N 2 0 260.425 2.940 20 0 CFADRP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000422886828 533496726 /nfs/dbraw/zinc/49/67/26/533496726.db2.gz JSWUFHKWIGEBPP-PBWFPOADSA-N 2 0 294.826 2.764 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)COc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000422741959 533498323 /nfs/dbraw/zinc/49/83/23/533498323.db2.gz QLUOAKNYRBXOBT-UONOGXRCSA-N 2 0 290.451 2.949 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414805472 533508528 /nfs/dbraw/zinc/50/85/28/533508528.db2.gz YOCSECPAKJPZJA-CZUORRHYSA-N 2 0 264.413 2.589 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1O ZINC000426423596 533512523 /nfs/dbraw/zinc/51/25/23/533512523.db2.gz ZFNZSNMMEJHTDO-UONOGXRCSA-N 2 0 294.439 2.652 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000422721318 533538010 /nfs/dbraw/zinc/53/80/10/533538010.db2.gz VAFMHBKNGBEVAS-KBPBESRZSA-N 2 0 295.496 2.602 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1cccc(Cl)c1 ZINC000422950271 533538144 /nfs/dbraw/zinc/53/81/44/533538144.db2.gz VPGBMIYGLOYEEF-LBPRGKRZSA-N 2 0 270.804 2.826 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423175501 533540687 /nfs/dbraw/zinc/54/06/87/533540687.db2.gz DSNSXYXRBIMSDA-DZGCQCFKSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422924402 533554151 /nfs/dbraw/zinc/55/41/51/533554151.db2.gz AZOZDVPAHIUCTC-NSHDSACASA-N 2 0 290.329 2.845 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000415026151 533554711 /nfs/dbraw/zinc/55/47/11/533554711.db2.gz SQDZSVMUYPVVOA-NSHDSACASA-N 2 0 272.339 2.548 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423101853 533660554 /nfs/dbraw/zinc/66/05/54/533660554.db2.gz DHPPZEIJGBJGLV-QWRGUYRKSA-N 2 0 264.335 2.697 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254487 533653470 /nfs/dbraw/zinc/65/34/70/533653470.db2.gz YEJAMGGWCBIKLH-STQMWFEESA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCC[NH3+] ZINC000423324019 533654434 /nfs/dbraw/zinc/65/44/34/533654434.db2.gz JYDJRKCYSAKVQK-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423207084 533656934 /nfs/dbraw/zinc/65/69/34/533656934.db2.gz GOSQNAHAMRMQPM-STQMWFEESA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423248277 533657807 /nfs/dbraw/zinc/65/78/07/533657807.db2.gz MUUZCUSTXQZKMB-QWHCGFSZSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414823807 533669816 /nfs/dbraw/zinc/66/98/16/533669816.db2.gz DYLRSFKVAYVIIT-DOTOQJQBSA-N 2 0 260.425 2.845 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)ccn2)C1 ZINC000683011359 542626881 /nfs/dbraw/zinc/62/68/81/542626881.db2.gz JOFLHLMCMHRANI-HNNXBMFYSA-N 2 0 261.413 2.554 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342105217 130264176 /nfs/dbraw/zinc/26/41/76/130264176.db2.gz OBEXARJHVSWUBI-BBWFWOEESA-N 2 0 258.409 2.597 20 0 CFADRP CN(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249993454 131123899 /nfs/dbraw/zinc/12/38/99/131123899.db2.gz OVIJOKRXBPRSOD-AEFFLSMTSA-N 2 0 287.451 2.729 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251072111 131128503 /nfs/dbraw/zinc/12/85/03/131128503.db2.gz FPSJUEJBGDHCRC-KFWWJZLASA-N 2 0 262.397 2.817 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000251221081 131128602 /nfs/dbraw/zinc/12/86/02/131128602.db2.gz HZYJCUGMRBPVMO-JTNHKYCSSA-N 2 0 252.427 2.875 20 0 CFADRP Fc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000252674943 131136467 /nfs/dbraw/zinc/13/64/67/131136467.db2.gz WBTJLVIUERHHFW-KGLIPLIRSA-N 2 0 266.335 2.681 20 0 CFADRP Cc1cccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1C ZINC000268396472 132002584 /nfs/dbraw/zinc/00/25/84/132002584.db2.gz ALLIUVNKPQJRAH-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+](C)C(C)C ZINC000268783545 132066080 /nfs/dbraw/zinc/06/60/80/132066080.db2.gz UVWQVEFRQLGPJH-KRWDZBQOSA-N 2 0 278.440 2.564 20 0 CFADRP C[C@@H]([NH2+]CCc1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000164766451 542722784 /nfs/dbraw/zinc/72/27/84/542722784.db2.gz RHKKIPXSADESKB-GFCCVEGCSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268813947 132070104 /nfs/dbraw/zinc/07/01/04/132070104.db2.gz PFCLQMHVXCJZHT-IJEWVQPXSA-N 2 0 276.424 2.934 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000268859733 132078686 /nfs/dbraw/zinc/07/86/86/132078686.db2.gz JBUPTUOPWJKNBI-LSDHHAIUSA-N 2 0 294.439 2.530 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000268902890 132085813 /nfs/dbraw/zinc/08/58/13/132085813.db2.gz MRZWXGBWOCJCAZ-KBPBESRZSA-N 2 0 264.413 2.651 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccsc1 ZINC000268912309 132087142 /nfs/dbraw/zinc/08/71/42/132087142.db2.gz NBIVLWGSCDEYQP-ZFWWWQNUSA-N 2 0 282.453 2.636 20 0 CFADRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc2c(c1)COC2 ZINC000268981993 132095353 /nfs/dbraw/zinc/09/53/53/132095353.db2.gz DAVCMCXGPFKMGG-ZJNRKIDTSA-N 2 0 286.419 2.850 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccnc1Cl ZINC000269001201 132099185 /nfs/dbraw/zinc/09/91/85/132099185.db2.gz LPPROZNORHVPNQ-LLVKDONJSA-N 2 0 255.793 2.727 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926261 542744856 /nfs/dbraw/zinc/74/48/56/542744856.db2.gz DHYSWCCNUKSZTO-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020626 542755579 /nfs/dbraw/zinc/75/55/79/542755579.db2.gz MWGDQEAAKLWPBQ-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372777094 393456852 /nfs/dbraw/zinc/45/68/52/393456852.db2.gz SFCXOQAUHYFBDN-GVDBMIGSSA-N 2 0 280.456 2.822 20 0 CFADRP CCCCCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372840190 393457643 /nfs/dbraw/zinc/45/76/43/393457643.db2.gz QRZJAVWLVIGJAU-KRWDZBQOSA-N 2 0 281.488 2.526 20 0 CFADRP CO[C@H](C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000182235436 393507822 /nfs/dbraw/zinc/50/78/22/393507822.db2.gz GDNYZTAUWKNFTP-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000310158267 393519046 /nfs/dbraw/zinc/51/90/46/393519046.db2.gz PCTDGGHJGYJJGX-OUAUKWLOSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1nc2c(s1)CCCC2 ZINC000331753274 393558726 /nfs/dbraw/zinc/55/87/26/393558726.db2.gz HJGBLZQCHANUNJ-QJPTWQEYSA-N 2 0 279.453 2.800 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000684372083 542794950 /nfs/dbraw/zinc/79/49/50/542794950.db2.gz GRIULGQRFDATHQ-ZBFHGGJFSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000684378376 542796121 /nfs/dbraw/zinc/79/61/21/542796121.db2.gz JRORGMOQFVGVIH-RBSFLKMASA-N 2 0 270.461 2.900 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC000684378470 542796782 /nfs/dbraw/zinc/79/67/82/542796782.db2.gz WIYMKLFLICQVNE-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188674295 393567176 /nfs/dbraw/zinc/56/71/76/393567176.db2.gz XAZXRMOFBWXXOM-WTTBNOFXSA-N 2 0 282.472 2.636 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000684388881 542798666 /nfs/dbraw/zinc/79/86/66/542798666.db2.gz ILFOIPCSJUPNJV-SJORKVTESA-N 2 0 276.424 2.795 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(C(C)C)C1 ZINC000684409068 542802679 /nfs/dbraw/zinc/80/26/79/542802679.db2.gz PLTNOBQNFYBTRN-UHFFFAOYSA-N 2 0 270.380 2.664 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCS[C@@H]1C ZINC000383812324 393575723 /nfs/dbraw/zinc/57/57/23/393575723.db2.gz GGGJCQBONMKGOX-MQYQWHSLSA-N 2 0 256.459 2.781 20 0 CFADRP C1[NH2+]C[C@H]2CC[C@@H]([NH2+]C3C4CC5CC(C4)CC3C5)C[C@@H]12 ZINC000400946827 393601358 /nfs/dbraw/zinc/60/13/58/393601358.db2.gz ATKTXXLLPLEYBY-OWJCYNGBSA-N 2 0 274.452 2.789 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1 ZINC000401896569 393606909 /nfs/dbraw/zinc/60/69/09/393606909.db2.gz XRVCKEAIYVAPSV-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000385424313 393584284 /nfs/dbraw/zinc/58/42/84/393584284.db2.gz BXKQLKPGQHCHPX-HOCLYGCPSA-N 2 0 258.409 2.897 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000051693034 393617243 /nfs/dbraw/zinc/61/72/43/393617243.db2.gz WSQFNFIWJRSCAE-PKSQDBQZSA-N 2 0 266.360 2.755 20 0 CFADRP COCC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411181974 393681045 /nfs/dbraw/zinc/68/10/45/393681045.db2.gz HCHZHOZCMLGYMD-UHFFFAOYSA-N 2 0 276.424 2.751 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334852881 393625812 /nfs/dbraw/zinc/62/58/12/393625812.db2.gz BOJMKCWCBDDOEC-CHWSQXEVSA-N 2 0 262.372 2.572 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C)CC2)CC1 ZINC000192727223 393630827 /nfs/dbraw/zinc/63/08/27/393630827.db2.gz RJLPLDCMHSOGHW-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000070358650 393638233 /nfs/dbraw/zinc/63/82/33/393638233.db2.gz OBEKNFKHQRWUPW-LSDHHAIUSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000411126821 393670070 /nfs/dbraw/zinc/67/00/70/393670070.db2.gz PYOOVLCDQXOSLE-MRXNPFEDSA-N 2 0 288.435 2.893 20 0 CFADRP COCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000088568106 393763377 /nfs/dbraw/zinc/76/33/77/393763377.db2.gz GJLXIOQMNDHJDC-QGZVFWFLSA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H](C)CO ZINC000411760473 393745886 /nfs/dbraw/zinc/74/58/86/393745886.db2.gz QWIXHOLVTQYQQZ-MRXNPFEDSA-N 2 0 290.451 2.875 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000084132307 393746245 /nfs/dbraw/zinc/74/62/45/393746245.db2.gz USPPQZDDNQNMRV-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000337168875 393754116 /nfs/dbraw/zinc/75/41/16/393754116.db2.gz BVEDRGITPJRRRL-IAGOWNOFSA-N 2 0 295.515 2.769 20 0 CFADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000337173116 393754392 /nfs/dbraw/zinc/75/43/92/393754392.db2.gz GCGXGLGOYITODX-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP CC[N@H+](CCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411301958 393697063 /nfs/dbraw/zinc/69/70/63/393697063.db2.gz SGFXLOSFQYIZAP-UHFFFAOYSA-N 2 0 290.451 2.877 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000335978997 393712784 /nfs/dbraw/zinc/71/27/84/393712784.db2.gz FXAXMCSCXKZPCC-LBPRGKRZSA-N 2 0 260.372 2.838 20 0 CFADRP Clc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000336005072 393714350 /nfs/dbraw/zinc/71/43/50/393714350.db2.gz JVYBZEYKVULKOT-LBPRGKRZSA-N 2 0 261.756 2.710 20 0 CFADRP CN1CCC[C@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000219585344 393760430 /nfs/dbraw/zinc/76/04/30/393760430.db2.gz IWPXZFRNSOYARY-LBPRGKRZSA-N 2 0 288.313 2.769 20 0 CFADRP C[C@H](O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411536148 393723606 /nfs/dbraw/zinc/72/36/06/393723606.db2.gz GRYYLGZYMOWKJW-UIBIWLFHSA-N 2 0 290.451 2.504 20 0 CFADRP CC(C)Oc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219807675 393760860 /nfs/dbraw/zinc/76/08/60/393760860.db2.gz ZHABOSPHMAIUQT-DOTOQJQBSA-N 2 0 274.408 2.658 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000424334584 393833527 /nfs/dbraw/zinc/83/35/27/393833527.db2.gz YSQYVIYVDDSPLH-XJKSGUPXSA-N 2 0 274.408 2.830 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000222948398 393764262 /nfs/dbraw/zinc/76/42/62/393764262.db2.gz HICUSIWYCHJIAX-UHTWSYAYSA-N 2 0 266.360 2.755 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1(C)C ZINC000245911229 393835667 /nfs/dbraw/zinc/83/56/67/393835667.db2.gz PIPQSQJMYYOOMH-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000090722597 393780880 /nfs/dbraw/zinc/78/08/80/393780880.db2.gz QOFJCIIYIZCLSD-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091334831 393783182 /nfs/dbraw/zinc/78/31/82/393783182.db2.gz DDKOIRWJQCIUAB-SJLPKXTDSA-N 2 0 289.467 2.609 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091334828 393783335 /nfs/dbraw/zinc/78/33/35/393783335.db2.gz DDKOIRWJQCIUAB-FUHWJXTLSA-N 2 0 289.467 2.609 20 0 CFADRP CN1CCC[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000234310971 393783751 /nfs/dbraw/zinc/78/37/51/393783751.db2.gz WHOCYWWLIUNTKD-ZDUSSCGKSA-N 2 0 254.324 2.808 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCOc1cccc(Cl)c1 ZINC000424340893 393836355 /nfs/dbraw/zinc/83/63/55/393836355.db2.gz ZCNYLAXLWSWPSB-HUUCEWRRSA-N 2 0 282.815 2.968 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000092836940 393793192 /nfs/dbraw/zinc/79/31/92/393793192.db2.gz RAHCTMFJNVENQV-CXAGYDPISA-N 2 0 274.408 2.614 20 0 CFADRP C[NH+](C)[C@@H](CNc1cc[nH+]c2c(O)cccc12)C1CC1 ZINC000684573361 542829169 /nfs/dbraw/zinc/82/91/69/542829169.db2.gz XXBNGDNORHTEQR-AWEZNQCLSA-N 2 0 271.364 2.693 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093464996 393799208 /nfs/dbraw/zinc/79/92/08/393799208.db2.gz UEPVZHNGXXJEDA-PBHICJAKSA-N 2 0 276.424 2.843 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000424232714 393801432 /nfs/dbraw/zinc/80/14/32/393801432.db2.gz DVTHJGVGDFHJGV-DYVFJYSZSA-N 2 0 297.402 2.728 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000424232715 393801593 /nfs/dbraw/zinc/80/15/93/393801593.db2.gz DVTHJGVGDFHJGV-GUYCJALGSA-N 2 0 297.402 2.728 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(F)c2)[C@@H](C)C1 ZINC000245423374 393803120 /nfs/dbraw/zinc/80/31/20/393803120.db2.gz JJZMIOYQTKRBSR-YOEHRIQHSA-N 2 0 294.414 2.867 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@H]1[NH3+] ZINC000414765152 393804717 /nfs/dbraw/zinc/80/47/17/393804717.db2.gz PIYFFFWFRKNPPI-DZUCGIPZSA-N 2 0 258.409 2.776 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000093944715 393806689 /nfs/dbraw/zinc/80/66/89/393806689.db2.gz CDNRMLKWEJRQGI-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000414874190 393807140 /nfs/dbraw/zinc/80/71/40/393807140.db2.gz ILZOIOMAAMVENS-ZJUUUORDSA-N 2 0 250.308 2.579 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000414897182 393808556 /nfs/dbraw/zinc/80/85/56/393808556.db2.gz BEPHPDFJUVSBMN-CQSZACIVSA-N 2 0 291.439 2.856 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H]1C ZINC000415004357 393810171 /nfs/dbraw/zinc/81/01/71/393810171.db2.gz HRAWLTVGWRSOKC-ZLTXHLNPSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415036314 393810266 /nfs/dbraw/zinc/81/02/66/393810266.db2.gz JQVQVJZVNAFGAH-GPANFISMSA-N 2 0 282.472 2.807 20 0 CFADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415053414 393811373 /nfs/dbraw/zinc/81/13/73/393811373.db2.gz JSYYXEPUIYIWLQ-QSPRXWTASA-N 2 0 258.409 2.918 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415096978 393812007 /nfs/dbraw/zinc/81/20/07/393812007.db2.gz CHMZPWGIGGVUQY-WBVHZDCISA-N 2 0 278.415 2.982 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000424283783 393813481 /nfs/dbraw/zinc/81/34/81/393813481.db2.gz CBHVZURVZLNYFV-ZIAGYGMSSA-N 2 0 286.778 2.717 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)C1 ZINC000245836660 393829196 /nfs/dbraw/zinc/82/91/96/393829196.db2.gz CSJLALRWKLTOEE-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424332362 393832892 /nfs/dbraw/zinc/83/28/92/393832892.db2.gz SVOJSQQFKUGOQF-MAURAIGZSA-N 2 0 276.399 2.942 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868441 393867794 /nfs/dbraw/zinc/86/77/94/393867794.db2.gz IRUOCKQZQKCILQ-DLBZAZTESA-N 2 0 281.403 2.951 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)[C@H](C)C1 ZINC000342735923 393869673 /nfs/dbraw/zinc/86/96/73/393869673.db2.gz PVSNUECPJDJKCQ-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247048893 393892353 /nfs/dbraw/zinc/89/23/53/393892353.db2.gz MBXSALGOPTZSBK-ARFHVFGLSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247042293 393892372 /nfs/dbraw/zinc/89/23/72/393892372.db2.gz MUCTXZQLQWUCLV-IXDOHACOSA-N 3 0 281.488 2.571 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378562 393841721 /nfs/dbraw/zinc/84/17/21/393841721.db2.gz TWICGTZYVQKQTJ-BRWVUGGUSA-N 2 0 294.414 2.633 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381684 393841813 /nfs/dbraw/zinc/84/18/13/393841813.db2.gz ZJFHRSSIDWSKRS-XZDPQHSOSA-N 2 0 262.397 2.622 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)ccc2n1 ZINC000097861573 393841867 /nfs/dbraw/zinc/84/18/67/393841867.db2.gz UJJHZNDDBMBFQC-MRXNPFEDSA-N 2 0 283.419 2.975 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@@H]21 ZINC000684578351 542830926 /nfs/dbraw/zinc/83/09/26/542830926.db2.gz LSRDPDODJJYWGF-HIFRSBDPSA-N 2 0 297.402 2.861 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000246357216 393863154 /nfs/dbraw/zinc/86/31/54/393863154.db2.gz IFHWCFPHMZCXPR-DOTOQJQBSA-N 2 0 260.425 2.857 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261868861 393950499 /nfs/dbraw/zinc/95/04/99/393950499.db2.gz YRWMBQWZKADSKW-OLZOCXBDSA-N 2 0 284.325 2.747 20 0 CFADRP C[C@H]1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)C1 ZINC000252202578 393934502 /nfs/dbraw/zinc/93/45/02/393934502.db2.gz WODGFCCVEIPTGR-MGPQQGTHSA-N 2 0 250.430 2.885 20 0 CFADRP CCC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000346980550 393935715 /nfs/dbraw/zinc/93/57/15/393935715.db2.gz PBUNXYSFEVKZQK-DZKIICNBSA-N 2 0 261.413 2.995 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000120764863 393940303 /nfs/dbraw/zinc/94/03/03/393940303.db2.gz BFHPTWXJUWHTII-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000121197261 393951676 /nfs/dbraw/zinc/95/16/76/393951676.db2.gz XLLXXSAKUYQUTN-HNNXBMFYSA-N 2 0 298.434 2.865 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261954133 393951814 /nfs/dbraw/zinc/95/18/14/393951814.db2.gz OKZLPDBLWKPFTP-NWDGAFQWSA-N 2 0 250.361 2.557 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000474725017 393945290 /nfs/dbraw/zinc/94/52/90/393945290.db2.gz DFSVAMUDPYHGIG-FGTMMUONSA-N 2 0 296.499 2.884 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000121075873 393948009 /nfs/dbraw/zinc/94/80/09/393948009.db2.gz MZRAQDYGWFJYNR-WMZOPIPTSA-N 2 0 295.515 2.818 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c1 ZINC000271702765 394022704 /nfs/dbraw/zinc/02/27/04/394022704.db2.gz SVNTVDAUEZDARC-DZGCQCFKSA-N 2 0 262.397 2.830 20 0 CFADRP CC[C@H]1CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000430192198 393965985 /nfs/dbraw/zinc/96/59/85/393965985.db2.gz BAXGWTDJQBHQLL-AWEZNQCLSA-N 2 0 256.353 2.560 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)C[C@H]1CCO[C@H](CC)C1 ZINC000349411863 393969764 /nfs/dbraw/zinc/96/97/64/393969764.db2.gz BJJRLPMJLGCIFH-JKSUJKDBSA-N 2 0 270.461 2.855 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123507300 393981943 /nfs/dbraw/zinc/98/19/43/393981943.db2.gz DMNDKKKBJRZKOK-VQHPVUNQSA-N 2 0 282.472 2.996 20 0 CFADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000123692356 393986478 /nfs/dbraw/zinc/98/64/78/393986478.db2.gz BSZDYXJZUZJAIT-IAGOWNOFSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccs1 ZINC000124367234 393994050 /nfs/dbraw/zinc/99/40/50/393994050.db2.gz RACYKISJEMFEBI-CQSZACIVSA-N 2 0 295.496 2.672 20 0 CFADRP Cc1ccccc1CCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430568887 393994326 /nfs/dbraw/zinc/99/43/26/393994326.db2.gz KWQJIVPSCVXWSE-UHFFFAOYSA-N 2 0 290.451 2.757 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430573523 393994405 /nfs/dbraw/zinc/99/44/05/393994405.db2.gz RLVWTCPSQYLTHG-HZPDHXFCSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@@](C[NH3+])([NH2+]CCOc1cccc2ccccc21)C1CC1 ZINC000430589272 393996769 /nfs/dbraw/zinc/99/67/69/393996769.db2.gz DHJRGQWEMUWYBA-SFHVURJKSA-N 2 0 284.403 2.936 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(C[NH3+])CC2)c1C ZINC000430624119 393998899 /nfs/dbraw/zinc/99/88/99/393998899.db2.gz IDVVREKQFSGFKF-UHFFFAOYSA-N 2 0 288.435 2.985 20 0 CFADRP CCn1nccc1C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000125070436 394001480 /nfs/dbraw/zinc/00/14/80/394001480.db2.gz LJZHYPQDTNHNMN-CQSZACIVSA-N 2 0 266.433 2.503 20 0 CFADRP Cc1ccc(-c2cnc(C[NH+]3CCC(C[NH3+])CC3)o2)cc1 ZINC000430643782 394001776 /nfs/dbraw/zinc/00/17/76/394001776.db2.gz SIHNYYIVKVAYDY-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187175 394026542 /nfs/dbraw/zinc/02/65/42/394026542.db2.gz JPLJOCTYVHEZMW-BQFCYCMXSA-N 2 0 290.451 2.912 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487530520 394009411 /nfs/dbraw/zinc/00/94/11/394009411.db2.gz BMONEQWJMSVACN-ARJAWSKDSA-N 2 0 273.424 2.805 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)C[NH+]1CCCCC1 ZINC000125659088 394011061 /nfs/dbraw/zinc/01/10/61/394011061.db2.gz PWYZWDLVRMEPSF-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274946551 394045539 /nfs/dbraw/zinc/04/55/39/394045539.db2.gz UNHUXKFZHPZVEZ-RYRKJORJSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000491543628 394052707 /nfs/dbraw/zinc/05/27/07/394052707.db2.gz GSCPSNYWKCDCSO-NFOMZHRRSA-N 2 0 298.471 2.674 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000491543630 394052723 /nfs/dbraw/zinc/05/27/23/394052723.db2.gz GSCPSNYWKCDCSO-WLYUNCDWSA-N 2 0 298.471 2.674 20 0 CFADRP C(C[C@H]1CCOC1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437339658 394053951 /nfs/dbraw/zinc/05/39/51/394053951.db2.gz CNBMAOJHRUQIME-DOTOQJQBSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000127771657 394055642 /nfs/dbraw/zinc/05/56/42/394055642.db2.gz OHDQYUSLZVIDRA-UHFFFAOYSA-N 2 0 280.456 2.681 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000355129977 394058567 /nfs/dbraw/zinc/05/85/67/394058567.db2.gz JQHRMQYTJKJAIH-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP COCC(C)(C)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355223033 394060600 /nfs/dbraw/zinc/06/06/00/394060600.db2.gz PWEHPMLFIADCKK-QGZVFWFLSA-N 2 0 290.451 2.771 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC[C@@H]2CCOC2)C1 ZINC000437590610 394062565 /nfs/dbraw/zinc/06/25/65/394062565.db2.gz NVPIUWVVGDCSND-TWMKSMIVSA-N 2 0 280.456 2.750 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1OC ZINC000358294287 394102441 /nfs/dbraw/zinc/10/24/41/394102441.db2.gz YSPWPYRSTOKVAY-QXSJWSMHSA-N 2 0 280.456 2.797 20 0 CFADRP CSCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130106619 394102850 /nfs/dbraw/zinc/10/28/50/394102850.db2.gz YLQAFDIUXUAPKQ-UHFFFAOYSA-N 2 0 279.453 2.593 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128593404 394072354 /nfs/dbraw/zinc/07/23/54/394072354.db2.gz HSUXJLDLIHOKHV-QGZVFWFLSA-N 2 0 283.504 2.818 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000437763717 394072853 /nfs/dbraw/zinc/07/28/53/394072853.db2.gz MPFBRZIIDVQMRV-UHFFFAOYSA-N 2 0 270.323 2.648 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000437776246 394073621 /nfs/dbraw/zinc/07/36/21/394073621.db2.gz OUFPZYBOKCLGNZ-TZMCWYRMSA-N 2 0 252.789 2.915 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CC1(SC)CCC1 ZINC000356300244 394076179 /nfs/dbraw/zinc/07/61/79/394076179.db2.gz JKDDXHRGPSYIRU-UHFFFAOYSA-N 2 0 258.475 2.936 20 0 CFADRP CN(c1ccccc1)c1cc(N[C@H]2CCC[C@H]([NH3+])C2)ncn1 ZINC000420244146 394104117 /nfs/dbraw/zinc/10/41/17/394104117.db2.gz XYIXDJZJTMECIR-KBPBESRZSA-N 2 0 297.406 2.926 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000358340847 394104228 /nfs/dbraw/zinc/10/42/28/394104228.db2.gz MMYUCLVUFHMSMQ-BPUTZDHNSA-N 2 0 270.461 2.900 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129272254 394084771 /nfs/dbraw/zinc/08/47/71/394084771.db2.gz WJMPQZIXMCETDV-STQMWFEESA-N 2 0 296.377 2.665 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281881742 394087987 /nfs/dbraw/zinc/08/79/87/394087987.db2.gz GHLYCWDOUYLBRL-QWHCGFSZSA-N 2 0 271.408 2.565 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000420196438 394092453 /nfs/dbraw/zinc/09/24/53/394092453.db2.gz LARANICMMPFQML-AWEZNQCLSA-N 2 0 269.392 2.767 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000281981051 394105069 /nfs/dbraw/zinc/10/50/69/394105069.db2.gz OSOXMVYPSCJYQB-KGLIPLIRSA-N 2 0 295.430 2.709 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000358040117 394095921 /nfs/dbraw/zinc/09/59/21/394095921.db2.gz BSSGAQXGGBKURD-FMKPAKJESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC2=CCCOC2)C1 ZINC000126520886 394029375 /nfs/dbraw/zinc/02/93/75/394029375.db2.gz LYJAGEVKZCMHGV-HZPDHXFCSA-N 2 0 280.456 2.681 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC2=CCCOC2)C1 ZINC000126520576 394029812 /nfs/dbraw/zinc/02/98/12/394029812.db2.gz LYJAGEVKZCMHGV-IYBDPMFKSA-N 2 0 280.456 2.681 20 0 CFADRP CN(CC[N@H+](C)CCCC1CCCC1)C1CC[NH+](C)CC1 ZINC000126500398 394029869 /nfs/dbraw/zinc/02/98/69/394029869.db2.gz HBSYODUYXDEMIM-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308656 394183817 /nfs/dbraw/zinc/18/38/17/394183817.db2.gz GPJVUOLQINGKBN-LFOPHDTNSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420259908 394107730 /nfs/dbraw/zinc/10/77/30/394107730.db2.gz MYPUUWSJMQJSFI-HUUCEWRRSA-N 2 0 281.403 2.897 20 0 CFADRP CCc1ccccc1[C@@H]([NH3+])CNc1nc2ccccc2n1C ZINC000420278017 394113920 /nfs/dbraw/zinc/11/39/20/394113920.db2.gz NLWRVJYNGHWOFO-HNNXBMFYSA-N 2 0 294.402 2.670 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)O1 ZINC000420317136 394116632 /nfs/dbraw/zinc/11/66/32/394116632.db2.gz NGZBDAAISKWEPF-NUJGCVRESA-N 2 0 288.435 2.838 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420324940 394116714 /nfs/dbraw/zinc/11/67/14/394116714.db2.gz VXEYQGZWEXOJFI-QZTJIDSGSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000420291451 394116998 /nfs/dbraw/zinc/11/69/98/394116998.db2.gz NOPDHFDGCWFXLE-LYRGGWFBSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1CC[N@H+](CCOC2CCCCCC2)C[C@H]1C[NH3+] ZINC000420410154 394119351 /nfs/dbraw/zinc/11/93/51/394119351.db2.gz RDCKQYJQAHFPDM-HUUCEWRRSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1COc2ccccc21 ZINC000420402697 394119813 /nfs/dbraw/zinc/11/98/13/394119813.db2.gz KFSGJVUEURSVKF-SQWLQELKSA-N 2 0 274.408 2.530 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)[C@@H](C)C1 ZINC000359000389 394120272 /nfs/dbraw/zinc/12/02/72/394120272.db2.gz HOZRJBQZGMPIOW-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[C@H](C)[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420919481 394126610 /nfs/dbraw/zinc/12/66/10/394126610.db2.gz ZJMCGNHBEKSDDU-HOTGVXAUSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000131810180 394141234 /nfs/dbraw/zinc/14/12/34/394141234.db2.gz USLWXCCYWVEMNE-UGUYLWEFSA-N 2 0 282.472 2.758 20 0 CFADRP CC/C=C\CC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975387 394145988 /nfs/dbraw/zinc/14/59/88/394145988.db2.gz FVTRRXJLKVFIFS-WAYWQWQTSA-N 2 0 293.499 2.835 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)CC(C)C)CC2)CC1 ZINC000420986491 394148081 /nfs/dbraw/zinc/14/80/81/394148081.db2.gz YOKFEWSLRLKHEH-QGZVFWFLSA-N 2 0 295.515 2.913 20 0 CFADRP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](C)[C@H]1CC ZINC000447309001 394150884 /nfs/dbraw/zinc/15/08/84/394150884.db2.gz JQUXOEAAQKNLKZ-ZHCJQAHYSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000447302592 394151323 /nfs/dbraw/zinc/15/13/23/394151323.db2.gz FMXVHBPPULMCIF-MTSZKFMLSA-N 2 0 282.472 2.588 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000449219665 394255834 /nfs/dbraw/zinc/25/58/34/394255834.db2.gz FFQKDLXMGMPHIE-GOSISDBHSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H](C)[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000363791089 394200433 /nfs/dbraw/zinc/20/04/33/394200433.db2.gz RPUSIIGUQCQYKT-MRXNPFEDSA-N 2 0 281.488 2.715 20 0 CFADRP CC(C)CC[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000449218546 394255924 /nfs/dbraw/zinc/25/59/24/394255924.db2.gz JKVIKJOVKJTMFG-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CCCn1nc(C)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1C ZINC000421368513 394205515 /nfs/dbraw/zinc/20/55/15/394205515.db2.gz GHUCJNNHNZJVIE-UHFFFAOYSA-N 2 0 292.471 2.872 20 0 CFADRP CCCCOCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134940801 394207279 /nfs/dbraw/zinc/20/72/79/394207279.db2.gz DZQPAYIBIKNCEM-WBVHZDCISA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421374077 394207394 /nfs/dbraw/zinc/20/73/94/394207394.db2.gz NFKALHDAVPWHMA-NFOMZHRRSA-N 2 0 261.413 2.913 20 0 CFADRP Cn1cnc2cc(C[NH2+]C3CCC([NH+](C)C)CC3)ccc21 ZINC000421375205 394208715 /nfs/dbraw/zinc/20/87/15/394208715.db2.gz QAXVQRGLEQPNRK-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)CC(C)(C)C ZINC000449223015 394256515 /nfs/dbraw/zinc/25/65/15/394256515.db2.gz NLANPGPFCYYUDR-KGLIPLIRSA-N 2 0 258.450 2.758 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422833406 394256506 /nfs/dbraw/zinc/25/65/06/394256506.db2.gz GTRKUMDQEHRCPZ-HUBLWGQQSA-N 2 0 264.438 2.732 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449109528 394215480 /nfs/dbraw/zinc/21/54/80/394215480.db2.gz ZARQZWPCEVXGAH-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449114945 394217050 /nfs/dbraw/zinc/21/70/50/394217050.db2.gz FWFWCVXLJUZLJK-INIZCTEOSA-N 2 0 288.391 2.633 20 0 CFADRP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C[NH+](C)C ZINC000291695280 394257191 /nfs/dbraw/zinc/25/71/91/394257191.db2.gz JNGLZNWICZIAGF-GFCCVEGCSA-N 2 0 290.386 2.503 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000449124299 394221311 /nfs/dbraw/zinc/22/13/11/394221311.db2.gz FZMLHNGKNONRFO-LNSITVRQSA-N 2 0 275.396 2.552 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000449142919 394227808 /nfs/dbraw/zinc/22/78/08/394227808.db2.gz PAMZGDSIVHCEEK-JHJVBQTASA-N 2 0 258.475 2.694 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422910235 394258210 /nfs/dbraw/zinc/25/82/10/394258210.db2.gz PWSYRXRRDHRLJC-KMFMINBZSA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)[C@@H](C)O1 ZINC000449157711 394234020 /nfs/dbraw/zinc/23/40/20/394234020.db2.gz WIUVEYDYWJVMNU-HSMVNMDESA-N 2 0 280.387 2.543 20 0 CFADRP CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422961580 394259997 /nfs/dbraw/zinc/25/99/97/394259997.db2.gz ZHNKAGBLZHSULN-LSDHHAIUSA-N 2 0 276.424 2.832 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367625447 394258863 /nfs/dbraw/zinc/25/88/63/394258863.db2.gz YDMUKJXFOHFAFA-GOEBONIOSA-N 2 0 290.455 2.745 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)C[NH+](C)C ZINC000291782678 394258942 /nfs/dbraw/zinc/25/89/42/394258942.db2.gz VAWZYMKXCIKBCT-STQMWFEESA-N 2 0 252.377 2.544 20 0 CFADRP C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449179453 394243124 /nfs/dbraw/zinc/24/31/24/394243124.db2.gz ZWPQRKGVKZLQEU-ZDUSSCGKSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1C[C@@H](C)O[C@@H]1C)C(C)C ZINC000449181441 394244477 /nfs/dbraw/zinc/24/44/77/394244477.db2.gz HKWIJOYRBHJYRH-KFWWJZLASA-N 2 0 256.434 2.651 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CSC[C@H]1C)C(C)C ZINC000449182322 394244579 /nfs/dbraw/zinc/24/45/79/394244579.db2.gz JQFBPTOLLDARCZ-KGLIPLIRSA-N 2 0 258.475 2.836 20 0 CFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000449183275 394245528 /nfs/dbraw/zinc/24/55/28/394245528.db2.gz BYXOLBBEEUEUPL-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910883 394259105 /nfs/dbraw/zinc/25/91/05/394259105.db2.gz RSOTYPLAWQKZSC-ZOBUZTSGSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H]1CCC[NH2+]C1 ZINC000422932477 394259192 /nfs/dbraw/zinc/25/91/92/394259192.db2.gz FXGKZTIQMQRBLO-RBOXIYTFSA-N 2 0 262.372 2.791 20 0 CFADRP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422915387 394259299 /nfs/dbraw/zinc/25/92/99/394259299.db2.gz XYGKALSTAHYOIJ-OLZOCXBDSA-N 2 0 274.412 2.834 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000422992488 394259637 /nfs/dbraw/zinc/25/96/37/394259637.db2.gz CRSUKOSANBDKDK-BMFZPTHFSA-N 2 0 270.461 2.948 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1C[NH3+] ZINC000422561648 394252675 /nfs/dbraw/zinc/25/26/75/394252675.db2.gz MNIXREAWCPQXPQ-VYDXJSESSA-N 2 0 298.434 2.678 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422758968 394254019 /nfs/dbraw/zinc/25/40/19/394254019.db2.gz OMGMRFPYAJMDCF-ZFWWWQNUSA-N 2 0 279.428 2.705 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](C)O1 ZINC000449218429 394254884 /nfs/dbraw/zinc/25/48/84/394254884.db2.gz ICIMPAJSFBKRQK-RVKKMQEKSA-N 2 0 288.435 2.938 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000134152438 394189553 /nfs/dbraw/zinc/18/95/53/394189553.db2.gz FLFSRPXXWJYLIE-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362705769 394190341 /nfs/dbraw/zinc/19/03/41/394190341.db2.gz ZIVJCOWTSHFPQF-DLBZAZTESA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000367684126 394260092 /nfs/dbraw/zinc/26/00/92/394260092.db2.gz GYXWMDCCZIVQQW-QGZVFWFLSA-N 2 0 295.515 2.628 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423044790 394262137 /nfs/dbraw/zinc/26/21/37/394262137.db2.gz AZJYDDMOCWMEHS-NSHDSACASA-N 2 0 294.830 2.834 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423072217 394262987 /nfs/dbraw/zinc/26/29/87/394262987.db2.gz PKMXVGJYCPFIAX-GJZGRUSLSA-N 2 0 270.461 2.828 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151780684 394263582 /nfs/dbraw/zinc/26/35/82/394263582.db2.gz HAZQYDJDQBBUKO-LVQVYYBASA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+]C1CCC([NH2+]CC2CCN(c3ccccc3)CC2)CC1 ZINC000423080439 394266180 /nfs/dbraw/zinc/26/61/80/394266180.db2.gz AGOVMKLDIZETRF-UHFFFAOYSA-N 2 0 287.451 2.763 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000423082092 394266439 /nfs/dbraw/zinc/26/64/39/394266439.db2.gz DWFGUGWIURCPQG-JKSUJKDBSA-N 2 0 276.424 2.789 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000151930206 394266472 /nfs/dbraw/zinc/26/64/72/394266472.db2.gz XHSBTQXUMJEZOS-UHFFFAOYSA-N 2 0 295.858 2.850 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423087755 394268908 /nfs/dbraw/zinc/26/89/08/394268908.db2.gz QGWJCSPOBQZOCY-FGTMMUONSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423126857 394271282 /nfs/dbraw/zinc/27/12/82/394271282.db2.gz JDTPLHLFWDMVBN-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc[nH+]1 ZINC000292206223 394271606 /nfs/dbraw/zinc/27/16/06/394271606.db2.gz GXUBRZYASSMYAG-ZDUSSCGKSA-N 2 0 259.397 2.701 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000423163391 394271964 /nfs/dbraw/zinc/27/19/64/394271964.db2.gz RAANSRFIYJUARH-KCQAQPDRSA-N 2 0 261.413 2.673 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000152176021 394272033 /nfs/dbraw/zinc/27/20/33/394272033.db2.gz VDILXWLNYVGOGW-PBHICJAKSA-N 2 0 294.389 2.923 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCC[C@H]1C ZINC000449303418 394272278 /nfs/dbraw/zinc/27/22/78/394272278.db2.gz MCIDVDSIUUVDIP-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1cccnc1 ZINC000423184884 394272786 /nfs/dbraw/zinc/27/27/86/394272786.db2.gz NNXZPKMLSZRESH-GJZGRUSLSA-N 2 0 261.413 2.609 20 0 CFADRP CCC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000423228379 394273825 /nfs/dbraw/zinc/27/38/25/394273825.db2.gz ZJRBUCMLSYYBKV-WFASDCNBSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@H]1OCCc2sccc21 ZINC000292411471 394274037 /nfs/dbraw/zinc/27/40/37/394274037.db2.gz MDNGKXDLUUAQQY-WOSRLPQWSA-N 2 0 294.464 2.824 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449391862 394275045 /nfs/dbraw/zinc/27/50/45/394275045.db2.gz IQLXIIGVSMTKIZ-CVEARBPZSA-N 2 0 270.461 2.638 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423278164 394275738 /nfs/dbraw/zinc/27/57/38/394275738.db2.gz QQZWGBIHDDHQRX-BBRMVZONSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423283867 394275887 /nfs/dbraw/zinc/27/58/87/394275887.db2.gz FSPHGPSDWOYACT-HZMBPMFUSA-N 2 0 250.361 2.776 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cnn1C(C)C ZINC000423321539 394277050 /nfs/dbraw/zinc/27/70/50/394277050.db2.gz GIQPZKMOOASERD-CYBMUJFWSA-N 2 0 278.444 2.813 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423351010 394278213 /nfs/dbraw/zinc/27/82/13/394278213.db2.gz YJEURIJOEAHHEJ-BFYDXBDKSA-N 2 0 282.472 2.805 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423372860 394278494 /nfs/dbraw/zinc/27/84/94/394278494.db2.gz BLEOJTPQLMTRCS-KLHDSHLOSA-N 2 0 292.467 2.702 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000423358234 394278585 /nfs/dbraw/zinc/27/85/85/394278585.db2.gz BNVFUYJOJLPVQG-MVWJERBFSA-N 2 0 283.803 2.664 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(F)cc(F)c1 ZINC000423385060 394279526 /nfs/dbraw/zinc/27/95/26/394279526.db2.gz LKNVRTWCCILSNR-HERUPUMHSA-N 2 0 254.324 2.885 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000423381278 394279774 /nfs/dbraw/zinc/27/97/74/394279774.db2.gz OIJXDDMRFBNMQL-IJEWVQPXSA-N 2 0 284.407 2.663 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCCO2 ZINC000423387730 394279977 /nfs/dbraw/zinc/27/99/77/394279977.db2.gz IAUHWPGYEYVHGZ-CWRNSKLLSA-N 2 0 274.408 2.796 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423411100 394280939 /nfs/dbraw/zinc/28/09/39/394280939.db2.gz FBNCZHDSOKGHIY-ZNMIVQPWSA-N 2 0 256.434 2.559 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423413062 394280965 /nfs/dbraw/zinc/28/09/65/394280965.db2.gz JOUKEBISMCMRBL-FPCVCCKLSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423453842 394282538 /nfs/dbraw/zinc/28/25/38/394282538.db2.gz KYYASOQUPIFVND-HYVNUMGLSA-N 2 0 275.440 2.539 20 0 CFADRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370163980 394284792 /nfs/dbraw/zinc/28/47/92/394284792.db2.gz VDJGPRUKQSAEGN-TZMCWYRMSA-N 2 0 294.468 2.511 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423504727 394284784 /nfs/dbraw/zinc/28/47/84/394284784.db2.gz GJBBZWQXXFZMPH-BNEJOAPWSA-N 2 0 293.499 2.617 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000423506791 394285376 /nfs/dbraw/zinc/28/53/76/394285376.db2.gz MICAOOAVZGZSPT-XUWVNRHRSA-N 2 0 296.455 2.606 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCOC1 ZINC000423524706 394290452 /nfs/dbraw/zinc/29/04/52/394290452.db2.gz JWNFPLZWAKFICL-ZSAKZZKXSA-N 2 0 292.467 2.545 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536101 394293342 /nfs/dbraw/zinc/29/33/42/394293342.db2.gz GNTAOSWNALJPSR-CYBMUJFWSA-N 2 0 262.372 2.656 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423537338 394293778 /nfs/dbraw/zinc/29/37/78/394293778.db2.gz JWUJFEQUHXALMG-VQIMIIECSA-N 2 0 299.462 2.721 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423543359 394294645 /nfs/dbraw/zinc/29/46/45/394294645.db2.gz BQMSJOAEQJHPHK-HNNXBMFYSA-N 2 0 278.371 2.553 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000423543724 394294941 /nfs/dbraw/zinc/29/49/41/394294941.db2.gz VRKPZXYVHDGQKR-LBPRGKRZSA-N 2 0 291.464 2.982 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423541941 394295034 /nfs/dbraw/zinc/29/50/34/394295034.db2.gz AIEVWPHAWNQGST-GJZGRUSLSA-N 2 0 268.445 2.702 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546166 394295659 /nfs/dbraw/zinc/29/56/59/394295659.db2.gz YVFXTPZLWIZCKG-INIZCTEOSA-N 2 0 290.382 2.721 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000423552465 394296366 /nfs/dbraw/zinc/29/63/66/394296366.db2.gz UZAFWSLFPXZQSY-OVYGPGRDSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154374251 394296471 /nfs/dbraw/zinc/29/64/71/394296471.db2.gz XBNDAUDNYRNLPH-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000423556833 394297235 /nfs/dbraw/zinc/29/72/35/394297235.db2.gz ZGZHRIJSYQVONR-RFQIPJPRSA-N 2 0 262.397 2.881 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423559766 394297356 /nfs/dbraw/zinc/29/73/56/394297356.db2.gz OZFYMYRYZCJDGI-MRXNPFEDSA-N 2 0 290.407 2.656 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423556854 394297432 /nfs/dbraw/zinc/29/74/32/394297432.db2.gz MUMPRPIZAGKSGP-OAHLLOKOSA-N 2 0 260.381 2.501 20 0 CFADRP c1ccc(CN2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000423570081 394298983 /nfs/dbraw/zinc/29/89/83/394298983.db2.gz WUZJYAFDKUXZDV-UHFFFAOYSA-N 2 0 299.462 2.550 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1 ZINC000423715145 394312652 /nfs/dbraw/zinc/31/26/52/394312652.db2.gz YWYNYKKRWRFBQY-UHFFFAOYSA-N 2 0 297.402 2.720 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000155614373 394319227 /nfs/dbraw/zinc/31/92/27/394319227.db2.gz ZEFDKDMSZYKUND-IAGOWNOFSA-N 2 0 281.488 2.737 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000155614257 394319610 /nfs/dbraw/zinc/31/96/10/394319610.db2.gz ZEFDKDMSZYKUND-SJORKVTESA-N 2 0 281.488 2.737 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000155629206 394320241 /nfs/dbraw/zinc/32/02/41/394320241.db2.gz DNVIZTMLUWAQEN-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493924422 394336545 /nfs/dbraw/zinc/33/65/45/394336545.db2.gz HSJZRHHXGVKGMD-AOCRQIFASA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000493916974 394336818 /nfs/dbraw/zinc/33/68/18/394336818.db2.gz ODIPKENOAPQYNS-MRXNPFEDSA-N 2 0 276.424 2.700 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000157950822 394352600 /nfs/dbraw/zinc/35/26/00/394352600.db2.gz RNRSYRQUHRAVOZ-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000158170377 394354960 /nfs/dbraw/zinc/35/49/60/394354960.db2.gz XUKNZKYMCZRVTK-QZTJIDSGSA-N 3 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000158178667 394355863 /nfs/dbraw/zinc/35/58/63/394355863.db2.gz JTFRHBUDCXYABR-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501055918 394365898 /nfs/dbraw/zinc/36/58/98/394365898.db2.gz RPHYPVWGPIXBAF-QZTJIDSGSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000161704598 394367494 /nfs/dbraw/zinc/36/74/94/394367494.db2.gz FODALMHOWFSJAX-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP F[C@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](F)C2)C1 ZINC000451202349 394368710 /nfs/dbraw/zinc/36/87/10/394368710.db2.gz XEASLOPYZAMNAN-HOTGVXAUSA-N 2 0 280.362 2.774 20 0 CFADRP C[C@@H](C[NH2+]CC1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000519617760 394372560 /nfs/dbraw/zinc/37/25/60/394372560.db2.gz WAGKLPISMBBEQX-HNNXBMFYSA-N 2 0 272.436 2.723 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCC2CCCC2)[C@H](C)C1 ZINC000453384101 394393297 /nfs/dbraw/zinc/39/32/97/394393297.db2.gz CLSBKAIUTBBGLA-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451645424 394377510 /nfs/dbraw/zinc/37/75/10/394377510.db2.gz ALYMEVHEJJJLCE-OAHLLOKOSA-N 2 0 268.470 2.690 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@H](C)CCC2(C)C)CC1 ZINC000452011898 394378532 /nfs/dbraw/zinc/37/85/32/394378532.db2.gz RJZUCBPBOQJERD-MRXNPFEDSA-N 2 0 281.488 2.665 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(F)cn1 ZINC000453386356 394394295 /nfs/dbraw/zinc/39/42/95/394394295.db2.gz APRVXONZXDDJKO-LBPRGKRZSA-N 2 0 295.402 2.754 20 0 CFADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H](C1CC1)C1CCCC1)CC2 ZINC000453245980 394382628 /nfs/dbraw/zinc/38/26/28/394382628.db2.gz GJGDIUOESWDUSQ-CJNGLKHVSA-N 2 0 259.397 2.825 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2CC)[C@@H](C)C1 ZINC000453308274 394384104 /nfs/dbraw/zinc/38/41/04/394384104.db2.gz MXYRRZHCCVKCRH-VVLHAWIVSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000453344810 394388399 /nfs/dbraw/zinc/38/83/99/394388399.db2.gz JFSYWOZYONFIOL-XJKSGUPXSA-N 2 0 264.388 2.606 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453403863 394397890 /nfs/dbraw/zinc/39/78/90/394397890.db2.gz OZKFOIZIAAKFIL-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453405400 394398259 /nfs/dbraw/zinc/39/82/59/394398259.db2.gz QMJWMMTYFPMYQE-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@H](C)C1 ZINC000453408450 394398711 /nfs/dbraw/zinc/39/87/11/394398711.db2.gz GPXLQOFSUPTVRF-YPMHNXCESA-N 2 0 260.372 2.742 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527724406 394400605 /nfs/dbraw/zinc/40/06/05/394400605.db2.gz GWHHNHXEXRIDBT-OTVXOJSOSA-N 2 0 257.381 2.598 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000685463178 542919919 /nfs/dbraw/zinc/91/99/19/542919919.db2.gz XIXSZWNSDJYCPA-INIZCTEOSA-N 2 0 274.408 2.556 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527854101 394417658 /nfs/dbraw/zinc/41/76/58/394417658.db2.gz WDFTUTBJYQTCKI-HIFRSBDPSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527946696 394430119 /nfs/dbraw/zinc/43/01/19/394430119.db2.gz IKSTXMJTJRGHSY-XYVMCAHJSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178848 394472410 /nfs/dbraw/zinc/47/24/10/394472410.db2.gz RROWHDSLLXYJLY-HOCLYGCPSA-N 2 0 258.409 2.882 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCOC2)c2ccccc21 ZINC000530207253 394479814 /nfs/dbraw/zinc/47/98/14/394479814.db2.gz CUEAWCXOHPVYDN-DAXOMENPSA-N 2 0 260.381 2.538 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)OCC ZINC000530208625 394480982 /nfs/dbraw/zinc/48/09/82/394480982.db2.gz GEEVKBJAWJNZKS-UHOFOFEASA-N 2 0 262.397 2.926 20 0 CFADRP Fc1cccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000530222225 394488668 /nfs/dbraw/zinc/48/86/68/394488668.db2.gz HBVXERNSCJSTCC-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000530232410 394492935 /nfs/dbraw/zinc/49/29/35/394492935.db2.gz OVOSXSUASZRELE-SMDDNHRTSA-N 2 0 250.361 2.741 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241743 394494378 /nfs/dbraw/zinc/49/43/78/394494378.db2.gz QJHNQFLVLXCOFR-RDJZCZTQSA-N 2 0 282.472 2.759 20 0 CFADRP C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000530242434 394494982 /nfs/dbraw/zinc/49/49/82/394494982.db2.gz SGUYHVKIKLEFHR-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530244142 394495173 /nfs/dbraw/zinc/49/51/73/394495173.db2.gz YWFCSUIFJQGHEL-SFHVURJKSA-N 2 0 288.435 2.586 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249662 394496615 /nfs/dbraw/zinc/49/66/15/394496615.db2.gz XKAJBXTUNHLVIG-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000536855617 394572981 /nfs/dbraw/zinc/57/29/81/394572981.db2.gz BMPVLJLRKCMIRN-WMLDXEAASA-N 2 0 290.451 2.903 20 0 CFADRP CCc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)s1 ZINC000537629852 394587320 /nfs/dbraw/zinc/58/73/20/394587320.db2.gz ILKRVOWQPCOPRB-UHFFFAOYSA-N 2 0 296.480 2.853 20 0 CFADRP CC(C)[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccnc1 ZINC000538115992 394598269 /nfs/dbraw/zinc/59/82/69/394598269.db2.gz GYBTYDQVFJVLRW-GOEBONIOSA-N 2 0 261.413 2.710 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000540158104 394644428 /nfs/dbraw/zinc/64/44/28/394644428.db2.gz ITWVTOUYQBVDMG-NVXWUHKLSA-N 2 0 260.425 2.776 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000543449319 394730244 /nfs/dbraw/zinc/73/02/44/394730244.db2.gz GBVXMGJRQQMJIC-QGZVFWFLSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccn(C)n1 ZINC000543592610 394735819 /nfs/dbraw/zinc/73/58/19/394735819.db2.gz VKNGZBIGHVZLTH-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c1Cl ZINC000543748637 394742911 /nfs/dbraw/zinc/74/29/11/394742911.db2.gz LGZFIYGOAJVUPE-GFCCVEGCSA-N 2 0 265.788 2.718 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000541775704 394683840 /nfs/dbraw/zinc/68/38/40/394683840.db2.gz DRSDAIWWFFVVPF-HNNXBMFYSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccn(C)n1 ZINC000544579932 394766073 /nfs/dbraw/zinc/76/60/73/394766073.db2.gz YHVUXZJXVSCAGU-GJZGRUSLSA-N 2 0 280.460 2.971 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000547508185 394873166 /nfs/dbraw/zinc/87/31/66/394873166.db2.gz LIWBSTTUCADYFK-MRXNPFEDSA-N 2 0 282.472 2.996 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000166004779 542942859 /nfs/dbraw/zinc/94/28/59/542942859.db2.gz VCBSTMYGFZFSRU-DOTOQJQBSA-N 2 0 294.414 2.759 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166173278 542958525 /nfs/dbraw/zinc/95/85/25/542958525.db2.gz QOYHYOSOOOXWTI-KZNAEPCWSA-N 3 0 293.499 2.715 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000547979485 394900757 /nfs/dbraw/zinc/90/07/57/394900757.db2.gz XTMZNVAROYWDDD-MLGOLLRUSA-N 2 0 298.390 2.507 20 0 CFADRP OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000547972309 394901034 /nfs/dbraw/zinc/90/10/34/394901034.db2.gz OWEVKIMJDJCBMF-WFASDCNBSA-N 2 0 291.420 2.575 20 0 CFADRP COCC1([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483942 394934917 /nfs/dbraw/zinc/93/49/17/394934917.db2.gz HQGXNXKNIMQVCB-RDJZCZTQSA-N 2 0 288.435 2.666 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166753861 542967682 /nfs/dbraw/zinc/96/76/82/542967682.db2.gz OYAWCAXWCWWFAM-BZUAXINKSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC000555880900 394985020 /nfs/dbraw/zinc/98/50/20/394985020.db2.gz ZAWGXKGLYNSTME-IRXDYDNUSA-N 2 0 282.472 2.734 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc21 ZINC000555239544 394969122 /nfs/dbraw/zinc/96/91/22/394969122.db2.gz RNNSMQYBQOCBFX-IKGGRYGDSA-N 2 0 298.434 2.536 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C2CCC(CO)CC2)cn1 ZINC000558425255 395060411 /nfs/dbraw/zinc/06/04/11/395060411.db2.gz VRYULVGZCALIES-UHFFFAOYSA-N 2 0 276.424 2.806 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC12CCOCC2)C[NH+]1CCCC1 ZINC000558622815 395067077 /nfs/dbraw/zinc/06/70/77/395067077.db2.gz DJXJNVVJNKZDQZ-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)N1CCC(C)CC1 ZINC000558696805 395071830 /nfs/dbraw/zinc/07/18/30/395071830.db2.gz FKOZVZVHDHQHIK-CAOSSQGBSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000571006917 395086301 /nfs/dbraw/zinc/08/63/01/395086301.db2.gz PKLKZSWTTWKZLY-KLAILNCOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)C1 ZINC000557265625 395033487 /nfs/dbraw/zinc/03/34/87/395033487.db2.gz DKSDNHOWSWRKFO-LAQRGFTBSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000557266099 395033595 /nfs/dbraw/zinc/03/35/95/395033595.db2.gz LMLOBQUIZALNAL-JOCBIADPSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]1c2ccc(F)cc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000648406811 395130100 /nfs/dbraw/zinc/13/01/00/395130100.db2.gz NXHSETHLMJZXHC-LBPRGKRZSA-N 2 0 262.372 2.744 20 0 CFADRP C1CCC([N@@H+]2CCC[C@@H]2c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000647145657 395175608 /nfs/dbraw/zinc/17/56/08/395175608.db2.gz BCWZAKKCOZYRIV-QWHCGFSZSA-N 2 0 276.384 2.574 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1ccc(O)cc1 ZINC000648638928 395234196 /nfs/dbraw/zinc/23/41/96/395234196.db2.gz DJMQEYWLTKWZAQ-INIZCTEOSA-N 2 0 276.424 2.992 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000647168755 395194539 /nfs/dbraw/zinc/19/45/39/395194539.db2.gz KHLNHMSBSWJISG-YOEHRIQHSA-N 2 0 274.408 2.549 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CCC(F)(F)CC1 ZINC000647200973 395221033 /nfs/dbraw/zinc/22/10/33/395221033.db2.gz SBTVBAPAZKYYAJ-UHFFFAOYSA-N 2 0 278.387 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000647344074 395306552 /nfs/dbraw/zinc/30/65/52/395306552.db2.gz IOHOAOROYYRGNG-HUMVNOLHSA-N 2 0 272.436 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@@H]2CCC[C@@H]21 ZINC000647350405 395309912 /nfs/dbraw/zinc/30/99/12/395309912.db2.gz RUMQXPAEAYGHFT-XJCPWDRGSA-N 2 0 268.420 2.977 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@@H]2CCC[C@H]21 ZINC000647350404 395310119 /nfs/dbraw/zinc/31/01/19/395310119.db2.gz RUMQXPAEAYGHFT-SVXVCFNTSA-N 2 0 268.420 2.977 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1C ZINC000647479699 395353450 /nfs/dbraw/zinc/35/34/50/395353450.db2.gz QELKFCDXEWJDLB-IAGOWNOFSA-N 2 0 288.435 2.968 20 0 CFADRP C(c1nc2c(s1)CCC2)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000647483264 395356696 /nfs/dbraw/zinc/35/66/96/395356696.db2.gz MTZCKNZYFNVVTH-CYBMUJFWSA-N 2 0 291.464 2.596 20 0 CFADRP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542678 395384253 /nfs/dbraw/zinc/38/42/53/395384253.db2.gz AAUXGVKEJMNJKS-HOTGVXAUSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542893 395384462 /nfs/dbraw/zinc/38/44/62/395384462.db2.gz DKTANGQUPFFBSV-KBPBESRZSA-N 2 0 279.453 2.663 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543723 395385613 /nfs/dbraw/zinc/38/56/13/395385613.db2.gz RMBREDHAWLCJIS-IRXDYDNUSA-N 2 0 273.424 2.602 20 0 CFADRP c1ccc2c(c1)ccnc2C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544571 395385619 /nfs/dbraw/zinc/38/56/19/395385619.db2.gz ZAMFCUPHDYFXEQ-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP Cc1ccncc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543692 395386033 /nfs/dbraw/zinc/38/60/33/395386033.db2.gz RDTUDEAPUWZAMX-JKSUJKDBSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647546453 395387133 /nfs/dbraw/zinc/38/71/33/395387133.db2.gz KXBKAHYEYHFQBI-YYWXWVFPSA-N 2 0 259.397 2.506 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647549728 395388143 /nfs/dbraw/zinc/38/81/43/395388143.db2.gz OHGRSTMXPMDMDP-BRWVUGGUSA-N 2 0 288.435 2.952 20 0 CFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549242 395388169 /nfs/dbraw/zinc/38/81/69/395388169.db2.gz OZDCJDQLFCIPIN-HRCADAONSA-N 2 0 284.403 2.953 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647548909 395388235 /nfs/dbraw/zinc/38/82/35/395388235.db2.gz AHIJDIBNQDXQDL-VVLHAWIVSA-N 2 0 270.420 2.694 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000647552656 395390942 /nfs/dbraw/zinc/39/09/42/395390942.db2.gz PKVJOHQUYXFJIH-GHMZBOCLSA-N 2 0 261.344 2.589 20 0 CFADRP COc1ccccc1C1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000647552981 395391928 /nfs/dbraw/zinc/39/19/28/395391928.db2.gz IIUJEBPEESYUBU-ZIAGYGMSSA-N 2 0 274.408 2.662 20 0 CFADRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647872190 395448262 /nfs/dbraw/zinc/44/82/62/395448262.db2.gz CZKSAFZMTCDUFG-LBPRGKRZSA-N 2 0 272.314 2.747 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000647873412 395448865 /nfs/dbraw/zinc/44/88/65/395448865.db2.gz HGXSGWAVVTZYEY-GOEBONIOSA-N 2 0 288.435 2.905 20 0 CFADRP COc1ccc2cc(C[N@H+](C)C[C@H]3CC[NH2+]C3)ccc2c1 ZINC000647873505 395449147 /nfs/dbraw/zinc/44/91/47/395449147.db2.gz SPEAOLYOTCSPTO-HNNXBMFYSA-N 2 0 284.403 2.890 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647878599 395449990 /nfs/dbraw/zinc/44/99/90/395449990.db2.gz SQJAEHOYOZSSPZ-AWEZNQCLSA-N 2 0 250.361 2.647 20 0 CFADRP C(OC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000647882883 395451773 /nfs/dbraw/zinc/45/17/73/395451773.db2.gz LRBJHHFYQQGFPW-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CCC[N@H+](CCc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000647885655 395452600 /nfs/dbraw/zinc/45/26/00/395452600.db2.gz BJLGNUBTUWEQNB-HNNXBMFYSA-N 2 0 264.388 2.690 20 0 CFADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886045 395453065 /nfs/dbraw/zinc/45/30/65/395453065.db2.gz LLSPOGKRBVDKJN-XJKCOSOUSA-N 2 0 262.372 2.818 20 0 CFADRP Cc1ccc(C(C)(C)C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647889439 395453212 /nfs/dbraw/zinc/45/32/12/395453212.db2.gz QTPUEBGFTCOGRT-HNNXBMFYSA-N 2 0 260.425 2.814 20 0 CFADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647886799 395453259 /nfs/dbraw/zinc/45/32/59/395453259.db2.gz WXLWOYLWOSBCAK-IPYPFGDCSA-N 2 0 262.372 2.613 20 0 CFADRP Fc1ccccc1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647886691 395453454 /nfs/dbraw/zinc/45/34/54/395453454.db2.gz KILILTKTLWBOTB-ZDUSSCGKSA-N 2 0 262.372 2.615 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886768 395453601 /nfs/dbraw/zinc/45/36/01/395453601.db2.gz RLHDPEDRVDUXIO-ARFHVFGLSA-N 2 0 258.409 2.782 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000647889342 395453635 /nfs/dbraw/zinc/45/36/35/395453635.db2.gz IJURTHVWYLBMGP-BFYDXBDKSA-N 2 0 258.409 2.722 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647991131 395474067 /nfs/dbraw/zinc/47/40/67/395474067.db2.gz BLQRMWJMXJIXSA-KRWDZBQOSA-N 2 0 282.472 2.905 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647934466 395460538 /nfs/dbraw/zinc/46/05/38/395460538.db2.gz GOLBFBYYRPWXRH-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647934310 395460558 /nfs/dbraw/zinc/46/05/58/395460558.db2.gz ADPKUORTLOEAOI-GXTWGEPZSA-N 2 0 264.438 2.968 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccccc2C)CC[C@@H]1[NH3+] ZINC000647937314 395462710 /nfs/dbraw/zinc/46/27/10/395462710.db2.gz VRXDSUOCXATEQG-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccccc2C)CC[C@@H]1[NH3+] ZINC000647937315 395462750 /nfs/dbraw/zinc/46/27/50/395462750.db2.gz VRXDSUOCXATEQG-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647991703 395474438 /nfs/dbraw/zinc/47/44/38/395474438.db2.gz ZYPMHZYLBJLFGN-KRWDZBQOSA-N 2 0 290.455 2.727 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647995316 395474703 /nfs/dbraw/zinc/47/47/03/395474703.db2.gz NWKUNNJHJJWWSI-QLFBSQMISA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000647970624 395471012 /nfs/dbraw/zinc/47/10/12/395471012.db2.gz GROFPTLWBSAAAN-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786106 395427841 /nfs/dbraw/zinc/42/78/41/395427841.db2.gz IEJRXTNNOZCMHP-BRSBDYLESA-N 2 0 293.499 2.619 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786108 395427939 /nfs/dbraw/zinc/42/79/39/395427939.db2.gz IEJRXTNNOZCMHP-WNRNVDISSA-N 2 0 293.499 2.619 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647786833 395428857 /nfs/dbraw/zinc/42/88/57/395428857.db2.gz ZNTJUCVZFFYYHD-XDNAFOTISA-N 2 0 299.462 2.633 20 0 CFADRP C1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C[C@@H]2C1 ZINC000647787875 395428960 /nfs/dbraw/zinc/42/89/60/395428960.db2.gz AOAWUTVLZIAEGC-IAFLNBNSSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647788853 395428965 /nfs/dbraw/zinc/42/89/65/395428965.db2.gz SPQKRNPALMNPLT-YYIAUSFCSA-N 2 0 288.435 2.740 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000647788631 395428984 /nfs/dbraw/zinc/42/89/84/395428984.db2.gz NJXYIHRZYLPZRU-XMTFNYHQSA-N 2 0 294.483 2.950 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647789982 395429626 /nfs/dbraw/zinc/42/96/26/395429626.db2.gz OUHDNSFFANZVHE-OWCLPIDISA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647790119 395429822 /nfs/dbraw/zinc/42/98/22/395429822.db2.gz RMEJTVYJHVICRR-RWMBFGLXSA-N 2 0 279.453 2.744 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791953 395430242 /nfs/dbraw/zinc/43/02/42/395430242.db2.gz QVSUPHULUUUJGU-YESZJQIVSA-N 2 0 288.435 2.660 20 0 CFADRP Fc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(F)c1F ZINC000647793688 395430246 /nfs/dbraw/zinc/43/02/46/395430246.db2.gz FJKLOXDDYHOMBN-JHJVBQTASA-N 2 0 298.352 2.624 20 0 CFADRP c1ccc(CC2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647792938 395430610 /nfs/dbraw/zinc/43/06/10/395430610.db2.gz FUEPINPJTPTEFL-OKZBNKHCSA-N 2 0 284.447 2.987 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647794068 395431077 /nfs/dbraw/zinc/43/10/77/395431077.db2.gz PZUTUMQNTJVOMG-TZNCUMHOSA-N 2 0 294.483 2.948 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647794074 395431083 /nfs/dbraw/zinc/43/10/83/395431083.db2.gz QIAGUUIOJJTJQU-FMKGYKFTSA-N 2 0 279.453 2.533 20 0 CFADRP Fc1cccc(NCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793989 395431090 /nfs/dbraw/zinc/43/10/90/395431090.db2.gz NVDBDPICJKGOGB-CKEIUWERSA-N 2 0 291.414 2.605 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647794042 395431276 /nfs/dbraw/zinc/43/12/76/395431276.db2.gz PLIWIAAISSXZHE-JKJDWNRSSA-N 2 0 280.456 2.558 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795841 395431868 /nfs/dbraw/zinc/43/18/68/395431868.db2.gz YCPYHBBPPHNKAV-MPKXVKKWSA-N 2 0 282.790 2.957 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795173 395432175 /nfs/dbraw/zinc/43/21/75/395432175.db2.gz JFCKPPXEIFAQEN-KLZNWCGWSA-N 2 0 286.419 2.796 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647795420 395432193 /nfs/dbraw/zinc/43/21/93/395432193.db2.gz PVIMHVLKZWYXDA-BRSBDYLESA-N 2 0 288.435 2.742 20 0 CFADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647798948 395433384 /nfs/dbraw/zinc/43/33/84/395433384.db2.gz ZKYQPHABGOKEHS-RWMBFGLXSA-N 2 0 299.340 2.578 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1(C2CCC2)CCC1 ZINC000647799430 395433438 /nfs/dbraw/zinc/43/34/38/395433438.db2.gz GKKOPZWKNFJJQX-OFQRWUPVSA-N 2 0 262.441 2.935 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978840 395472325 /nfs/dbraw/zinc/47/23/25/395472325.db2.gz ZEIMXOHWWQGVEW-CABCVRRESA-N 2 0 291.439 2.757 20 0 CFADRP COc1ccccc1C1([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000647801989 395434446 /nfs/dbraw/zinc/43/44/46/395434446.db2.gz AEIAHAWQVARZJR-UHFFFAOYSA-N 2 0 274.408 2.791 20 0 CFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647801138 395434534 /nfs/dbraw/zinc/43/45/34/395434534.db2.gz PBCQIULUFSLWHT-DUQPFJRNSA-N 2 0 270.420 2.768 20 0 CFADRP COc1ccccc1C1([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000647802440 395435678 /nfs/dbraw/zinc/43/56/78/395435678.db2.gz LODGAMBHDIYISN-ZDUSSCGKSA-N 2 0 262.397 2.791 20 0 CFADRP COc1ccccc1C1([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000647996239 395474976 /nfs/dbraw/zinc/47/49/76/395474976.db2.gz BWBDGXYVLMWHNT-UHFFFAOYSA-N 2 0 274.408 2.664 20 0 CFADRP c1ccc(SCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815218 395438780 /nfs/dbraw/zinc/43/87/80/395438780.db2.gz UVOVUYGYVPGIHL-UHFFFAOYSA-N 2 0 276.449 2.995 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000649623229 395540905 /nfs/dbraw/zinc/54/09/05/395540905.db2.gz JAGAOIBUTUVUSN-MRXNPFEDSA-N 2 0 295.515 2.913 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647995318 395475153 /nfs/dbraw/zinc/47/51/53/395475153.db2.gz NWKUNNJHJJWWSI-RRFJBIMHSA-N 2 0 250.430 2.744 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2CC(C)C)C[C@@H]1C ZINC000648010280 395479232 /nfs/dbraw/zinc/47/92/32/395479232.db2.gz TXIAEKUATKDCQK-HOTGVXAUSA-N 2 0 292.471 2.844 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2CC(C)C)C[C@H]1C ZINC000648010281 395479363 /nfs/dbraw/zinc/47/93/63/395479363.db2.gz TXIAEKUATKDCQK-HZPDHXFCSA-N 2 0 292.471 2.844 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC000649382079 395481803 /nfs/dbraw/zinc/48/18/03/395481803.db2.gz FJYBEUWXWYPMPP-SFHVURJKSA-N 2 0 291.483 2.589 20 0 CFADRP c1ccc2oc([C@@H]3CCC[N@@H+](C[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411606 395489527 /nfs/dbraw/zinc/48/95/27/395489527.db2.gz KCUSOYKBQRBEDW-ZIAGYGMSSA-N 2 0 285.391 2.617 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072007 395497525 /nfs/dbraw/zinc/49/75/25/395497525.db2.gz GRJMVXUKHQOTLZ-NVXWUHKLSA-N 2 0 292.467 2.775 20 0 CFADRP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000037565837 543030221 /nfs/dbraw/zinc/03/02/21/543030221.db2.gz UCOZGVRKUZSTTP-XJKSGUPXSA-N 2 0 258.409 2.646 20 0 CFADRP [NH3+]CCC[N@H+](CCCCCF)Cc1ccccc1 ZINC000309950852 413081740 /nfs/dbraw/zinc/08/17/40/413081740.db2.gz NHSVXONIBZQXNX-UHFFFAOYSA-N 2 0 252.377 2.977 20 0 CFADRP COC(C)(C)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000336805504 292056010 /nfs/dbraw/zinc/05/60/10/292056010.db2.gz BZJQEQACLDEJCN-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+](C)C)c(C)s1 ZINC000045663766 543079447 /nfs/dbraw/zinc/07/94/47/543079447.db2.gz OGXABPZHDPVAIU-JTQLQIEISA-N 2 0 255.431 2.752 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC23CCOCC3)CCCC1 ZINC000367080909 289094537 /nfs/dbraw/zinc/09/45/37/289094537.db2.gz OZETTZUYQUOFEP-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1c2ccsc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000042781799 289097529 /nfs/dbraw/zinc/09/75/29/289097529.db2.gz CGCHZWXRLMKDCZ-LLVKDONJSA-N 2 0 250.411 2.667 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401020363 413160167 /nfs/dbraw/zinc/16/01/67/413160167.db2.gz KOIYYYODWCYDCE-ARFHVFGLSA-N 2 0 250.430 2.935 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401112542 413160468 /nfs/dbraw/zinc/16/04/68/413160468.db2.gz HCFFUWPVZVAUEK-IXDOHACOSA-N 2 0 258.409 2.597 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203958 292108557 /nfs/dbraw/zinc/10/85/57/292108557.db2.gz DAKNMNHODQCLCP-FUHWJXTLSA-N 2 0 272.436 2.905 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC1CCCC1 ZINC000401012805 413160705 /nfs/dbraw/zinc/16/07/05/413160705.db2.gz HQVLTSZJORVBJB-HRCADAONSA-N 2 0 250.430 2.935 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401049346 413159726 /nfs/dbraw/zinc/15/97/26/413159726.db2.gz SMBDCPCZLPLHAV-FGTMMUONSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000401150142 413163584 /nfs/dbraw/zinc/16/35/84/413163584.db2.gz PFOLQBMCOGYEDI-NNYUYHANSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000390756741 397543906 /nfs/dbraw/zinc/54/39/06/397543906.db2.gz WUZPZUMIQURZCX-PVAVHDDUSA-N 2 0 290.476 2.992 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@@H]1CCCC[NH2+]1 ZINC000650759457 397885148 /nfs/dbraw/zinc/88/51/48/397885148.db2.gz JWDHXOFQXFWBKD-PVAVHDDUSA-N 2 0 287.451 2.924 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccnc1 ZINC000650758796 397885442 /nfs/dbraw/zinc/88/54/42/397885442.db2.gz XTQVKTVNMKDMEX-CYBMUJFWSA-N 2 0 255.365 2.652 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000650758295 397885495 /nfs/dbraw/zinc/88/54/95/397885495.db2.gz MXPLGQYIZHNCJJ-LBPRGKRZSA-N 2 0 284.407 2.664 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650760036 397886219 /nfs/dbraw/zinc/88/62/19/397886219.db2.gz VVKUDHHSWQRHRQ-KBMXLJTQSA-N 2 0 273.424 2.534 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650761559 397886974 /nfs/dbraw/zinc/88/69/74/397886974.db2.gz CJXSNPREQYCKSE-UHFFFAOYSA-N 2 0 272.436 2.913 20 0 CFADRP C[C@H](COCC1CC1)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000650761298 397887016 /nfs/dbraw/zinc/88/70/16/397887016.db2.gz XDGHHZOHDGXVRO-IIAWOOMASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](COCC1CC1)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000650761299 397887169 /nfs/dbraw/zinc/88/71/69/397887169.db2.gz XDGHHZOHDGXVRO-LZWOXQAQSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC000650703648 397859415 /nfs/dbraw/zinc/85/94/15/397859415.db2.gz KGCGTLOPGFEHTR-DZGCQCFKSA-N 2 0 258.409 2.653 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650703239 397859509 /nfs/dbraw/zinc/85/95/09/397859509.db2.gz QSKMTVMRTVJWCI-HIFRSBDPSA-N 2 0 258.409 2.735 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705252 397860945 /nfs/dbraw/zinc/86/09/45/397860945.db2.gz AJKBZOMZHCCSSS-KSZLIROESA-N 2 0 288.435 2.713 20 0 CFADRP c1ccc(C[C@H]([NH2+]CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000650763470 397887825 /nfs/dbraw/zinc/88/78/25/397887825.db2.gz AKHHNLSDTOVAIY-SFHVURJKSA-N 2 0 272.436 2.987 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000650709406 397861875 /nfs/dbraw/zinc/86/18/75/397861875.db2.gz YSAMDQBKDZAVRR-RHINWDHMSA-N 2 0 274.383 2.900 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762854 397887958 /nfs/dbraw/zinc/88/79/58/397887958.db2.gz LUGSWGZHPGXTMV-CYBMUJFWSA-N 2 0 261.413 2.684 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)[C@H]1CC[NH3+] ZINC000650711608 397863892 /nfs/dbraw/zinc/86/38/92/397863892.db2.gz YQDBIRUKHFZNRS-RISCZKNCSA-N 2 0 279.453 2.970 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)[C@H]1CC[NH3+] ZINC000650711605 397864174 /nfs/dbraw/zinc/86/41/74/397864174.db2.gz YNZSLQMVKGFXDB-YJBOKZPZSA-N 2 0 298.434 2.822 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712668 397864605 /nfs/dbraw/zinc/86/46/05/397864605.db2.gz ONQSQMXLCMVYDC-UHFFFAOYSA-N 2 0 258.365 2.960 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650712244 397864655 /nfs/dbraw/zinc/86/46/55/397864655.db2.gz XPKMNODPEPVXCP-YOEHRIQHSA-N 2 0 275.440 2.772 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712533 397864744 /nfs/dbraw/zinc/86/47/44/397864744.db2.gz IJKAMSASXZYHMW-UHFFFAOYSA-N 2 0 284.407 2.604 20 0 CFADRP Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1Br ZINC000650712476 397864937 /nfs/dbraw/zinc/86/49/37/397864937.db2.gz FHDZUXVSRSMPLZ-UHFFFAOYSA-N 2 0 297.240 2.976 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712568 397864954 /nfs/dbraw/zinc/86/49/54/397864954.db2.gz KSBXQZASWRXFDM-UHFFFAOYSA-N 2 0 297.240 2.976 20 0 CFADRP CC(C)COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712435 397865048 /nfs/dbraw/zinc/86/50/48/397865048.db2.gz CSOSNLVIHFIFFG-UHFFFAOYSA-N 2 0 276.424 2.940 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713678 397865800 /nfs/dbraw/zinc/86/58/00/397865800.db2.gz ZPFKJAYOJLSZMB-OAHLLOKOSA-N 2 0 260.425 2.974 20 0 CFADRP C[C@H](C[NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000650714092 397865837 /nfs/dbraw/zinc/86/58/37/397865837.db2.gz QZKMXMOISOCGRC-GFCCVEGCSA-N 2 0 250.361 2.648 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)N2 ZINC000650720839 397869043 /nfs/dbraw/zinc/86/90/43/397869043.db2.gz CMOSFSZJKJGTBV-BSDSXHPESA-N 2 0 299.462 2.781 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721964 397870483 /nfs/dbraw/zinc/87/04/83/397870483.db2.gz HIIFOWNPBNTGTI-RCCFBDPRSA-N 2 0 288.435 2.856 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000650722034 397870688 /nfs/dbraw/zinc/87/06/88/397870688.db2.gz JCIZMAIUZYFMNI-BRWVUGGUSA-N 2 0 292.398 2.687 20 0 CFADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723731 397871003 /nfs/dbraw/zinc/87/10/03/397871003.db2.gz SLDQCACHPBAQER-OAGGEKHMSA-N 2 0 268.445 2.783 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000650740396 397874365 /nfs/dbraw/zinc/87/43/65/397874365.db2.gz LXPMOQOYACTOIV-IRXDYDNUSA-N 2 0 283.504 2.865 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000650740394 397874380 /nfs/dbraw/zinc/87/43/80/397874380.db2.gz LXPMOQOYACTOIV-DLBZAZTESA-N 2 0 283.504 2.865 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccccc2C)CCC1 ZINC000650741175 397875608 /nfs/dbraw/zinc/87/56/08/397875608.db2.gz ZLQJUSWYMQIBPV-OAHLLOKOSA-N 2 0 276.424 2.718 20 0 CFADRP CC[C@H](OCC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000650741370 397876022 /nfs/dbraw/zinc/87/60/22/397876022.db2.gz CHGAADGCYONQBL-DZKIICNBSA-N 2 0 264.413 2.870 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC)cc1 ZINC000650742743 397876650 /nfs/dbraw/zinc/87/66/50/397876650.db2.gz CSGTUZYKSUPDNX-HNNXBMFYSA-N 2 0 262.397 2.865 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744281 397878264 /nfs/dbraw/zinc/87/82/64/397878264.db2.gz KFOFEQRQAFXWOA-CYBMUJFWSA-N 2 0 262.397 2.783 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650744404 397878287 /nfs/dbraw/zinc/87/82/87/397878287.db2.gz NHTMFGRBSJALMJ-JTQLQIEISA-N 2 0 267.442 2.794 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000650745874 397879093 /nfs/dbraw/zinc/87/90/93/397879093.db2.gz PTSNKYHAKHJPRG-CYBMUJFWSA-N 2 0 266.335 2.671 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745995 397879637 /nfs/dbraw/zinc/87/96/37/397879637.db2.gz SXAZWTZMXGQEDB-ZIAGYGMSSA-N 2 0 268.445 2.545 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cnn1C(C)C ZINC000650746884 397879684 /nfs/dbraw/zinc/87/96/84/397879684.db2.gz MVSTWEFVHCJDGW-GFCCVEGCSA-N 2 0 264.417 2.552 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CN2 ZINC000650747854 397880309 /nfs/dbraw/zinc/88/03/09/397880309.db2.gz IYZDHJKNUASVBY-PBWTXFEYSA-N 2 0 299.462 2.924 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@@H]1OC ZINC000650754337 397883786 /nfs/dbraw/zinc/88/37/86/397883786.db2.gz GVERPSCOMGBHJR-HOTGVXAUSA-N 2 0 294.414 2.968 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000650756454 397884606 /nfs/dbraw/zinc/88/46/06/397884606.db2.gz BDDJYMKTGYCSAW-RHSMWYFYSA-N 2 0 276.424 2.701 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423084572 292153603 /nfs/dbraw/zinc/15/36/03/292153603.db2.gz IJKHTDATUCWIRY-PWUWZPNHSA-N 2 0 268.445 2.831 20 0 CFADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404383339 413203220 /nfs/dbraw/zinc/20/32/20/413203220.db2.gz NKGFULYAALVKPK-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2ccccc2F)[C@H]1CC[NH3+] ZINC000404428233 413205691 /nfs/dbraw/zinc/20/56/91/413205691.db2.gz MXTIKTRIVSWQBR-ZFWWWQNUSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404920985 413219497 /nfs/dbraw/zinc/21/94/97/413219497.db2.gz YBYZYXBMWUGKHR-HUUCEWRRSA-N 2 0 258.409 2.648 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)NCC2 ZINC000656782967 413220419 /nfs/dbraw/zinc/22/04/19/413220419.db2.gz KJKCLMGZNBGFIR-QGZVFWFLSA-N 2 0 299.462 2.866 20 0 CFADRP CCOc1ccc(CN(C)CC(C)(C)[NH3+])cc1OCC ZINC000656783082 413220851 /nfs/dbraw/zinc/22/08/51/413220851.db2.gz NWIGAIAQSCPTDG-UHFFFAOYSA-N 2 0 280.412 2.653 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000656782002 413219832 /nfs/dbraw/zinc/21/98/32/413219832.db2.gz CGRCOAPLCYCVSC-MUIFIZLQSA-N 2 0 273.424 2.695 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261591266 286029089 /nfs/dbraw/zinc/02/90/89/286029089.db2.gz LWYQMGJYRWKBJT-HUUCEWRRSA-N 2 0 270.461 2.950 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423123062 286029118 /nfs/dbraw/zinc/02/91/18/286029118.db2.gz LXCMXZXLJRHBIO-GFCCVEGCSA-N 2 0 279.428 2.562 20 0 CFADRP CC1(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCC1 ZINC000656784129 413223967 /nfs/dbraw/zinc/22/39/67/413223967.db2.gz YWBCEANDBYCWAF-OAHLLOKOSA-N 2 0 250.430 2.888 20 0 CFADRP CCCn1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656784702 413224136 /nfs/dbraw/zinc/22/41/36/413224136.db2.gz FYAILYYAYCKMLK-KRWDZBQOSA-N 2 0 290.455 2.505 20 0 CFADRP c1cc2c(c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c1)NCC2 ZINC000656784853 413225340 /nfs/dbraw/zinc/22/53/40/413225340.db2.gz DCGLEBOHSPZYQA-KRWDZBQOSA-N 2 0 299.462 2.866 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784320 413224777 /nfs/dbraw/zinc/22/47/77/413224777.db2.gz CNTBYLZDHVWEEZ-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP CCCn1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656784703 413225831 /nfs/dbraw/zinc/22/58/31/413225831.db2.gz FYAILYYAYCKMLK-QGZVFWFLSA-N 2 0 290.455 2.505 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000246295533 286049371 /nfs/dbraw/zinc/04/93/71/286049371.db2.gz CSFAOSOKYZMRBU-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCOCCC1(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)CCC1 ZINC000422948094 286049976 /nfs/dbraw/zinc/04/99/76/286049976.db2.gz ZQULIOGUCABKRB-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348340189 292193715 /nfs/dbraw/zinc/19/37/15/292193715.db2.gz XLYVCUCPQVKXRN-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467984 413231805 /nfs/dbraw/zinc/23/18/05/413231805.db2.gz JNLBUUDDZYWGLL-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789572 413232985 /nfs/dbraw/zinc/23/29/85/413232985.db2.gz RBUOEGDBJOADJO-MRXNPFEDSA-N 2 0 294.414 2.634 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471109 413235350 /nfs/dbraw/zinc/23/53/50/413235350.db2.gz WPMGDMVZOMXIEZ-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000656791066 413234765 /nfs/dbraw/zinc/23/47/65/413234765.db2.gz ROFGQWXDAWIGDY-JYYAWHABSA-N 2 0 256.393 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)[C@H](C)C1 ZINC000656791712 413236870 /nfs/dbraw/zinc/23/68/70/413236870.db2.gz LHGXHSWMRAIUOR-OAUYIBNBSA-N 2 0 273.424 2.576 20 0 CFADRP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])CC(C)C)C1CCCCC1 ZINC000653200659 413237336 /nfs/dbraw/zinc/23/73/36/413237336.db2.gz LLDNQHANPIIPQZ-INIZCTEOSA-N 2 0 297.487 2.521 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423253522 296624629 /nfs/dbraw/zinc/62/46/29/296624629.db2.gz WADUXAJSVFSLEN-CZUORRHYSA-N 2 0 259.397 2.523 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256118 296625102 /nfs/dbraw/zinc/62/51/02/296625102.db2.gz DNYOBLNQSHGRKS-HOCLYGCPSA-N 2 0 274.408 2.880 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCCC1 ZINC000335038999 296626202 /nfs/dbraw/zinc/62/62/02/296626202.db2.gz JUASISAUWKBDDM-DOTOQJQBSA-N 2 0 272.392 2.775 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)CCC1 ZINC000356396642 155252700 /nfs/dbraw/zinc/25/27/00/155252700.db2.gz PLCVZDXXMFYFPO-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000663498880 413245109 /nfs/dbraw/zinc/24/51/09/413245109.db2.gz ROFKQSLINAPVAZ-CYBMUJFWSA-N 2 0 272.339 2.751 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000663500266 413245750 /nfs/dbraw/zinc/24/57/50/413245750.db2.gz JLVOIBZBYMAMGI-YQQAZPJKSA-N 2 0 274.408 2.528 20 0 CFADRP C[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1 ZINC000663500736 413246198 /nfs/dbraw/zinc/24/61/98/413246198.db2.gz NDTMJHIHPPCFFM-BZUNDVKYSA-N 2 0 264.800 2.785 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000663503023 413251376 /nfs/dbraw/zinc/25/13/76/413251376.db2.gz LXEOLIGZAAPDIN-IUODEOHRSA-N 2 0 252.377 2.892 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000663504066 413251595 /nfs/dbraw/zinc/25/15/95/413251595.db2.gz VQRVJFJOXJDXSF-UKRRQHHQSA-N 2 0 292.423 2.699 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2sccc2C)CC[NH2+]CC1 ZINC000423405372 292246887 /nfs/dbraw/zinc/24/68/87/292246887.db2.gz ZCILLPYBJLCNSM-ZDUSSCGKSA-N 2 0 282.453 2.723 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCCCC1 ZINC000423142293 292247312 /nfs/dbraw/zinc/24/73/12/292247312.db2.gz UYSWXXRMWHOZLF-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(CC)CC ZINC000344107600 286280514 /nfs/dbraw/zinc/28/05/14/286280514.db2.gz WZNTYWJZWDQTGF-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@@H](C)Cc1ccccc1SC ZINC000663514127 413257969 /nfs/dbraw/zinc/25/79/69/413257969.db2.gz NJFNELXCCFPKDH-NWDGAFQWSA-N 2 0 252.427 2.537 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000663514798 413259612 /nfs/dbraw/zinc/25/96/12/413259612.db2.gz TXQGJVVRLFIHOE-WDEREUQCSA-N 2 0 274.330 2.834 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1F ZINC000414841998 286314993 /nfs/dbraw/zinc/31/49/93/286314993.db2.gz ZVOLUMKBYPBNNG-DZGCQCFKSA-N 2 0 294.414 2.602 20 0 CFADRP COCC1CCC([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000423192857 292265262 /nfs/dbraw/zinc/26/52/62/292265262.db2.gz VDJCJGOQWPPRTR-GRTSSRMGSA-N 2 0 291.439 2.705 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000414718520 286333157 /nfs/dbraw/zinc/33/31/57/286333157.db2.gz ZFJUZPNTFRTHFD-LJISPDSOSA-N 2 0 268.445 2.510 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000423118693 286370682 /nfs/dbraw/zinc/37/06/82/286370682.db2.gz BYFPYPDBWDIPMM-KBPBESRZSA-N 2 0 292.423 2.805 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000423472528 286386312 /nfs/dbraw/zinc/38/63/12/286386312.db2.gz FZPKOXVDGFLSQZ-HRCADAONSA-N 2 0 280.456 2.846 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356856585 155396979 /nfs/dbraw/zinc/39/69/79/155396979.db2.gz WCPRZRBAQVGRGS-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]C[C@H]3CCOc4ccccc43)ccc12 ZINC000656985072 413283999 /nfs/dbraw/zinc/28/39/99/413283999.db2.gz WGOJGIHQEVXINC-OAHLLOKOSA-N 2 0 293.370 2.990 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000343270642 154163172 /nfs/dbraw/zinc/16/31/72/154163172.db2.gz FMLUJJWTZLDOER-ZVZYQTTQSA-N 2 0 270.420 2.864 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)[C@H](C)C1 ZINC000348126950 154330290 /nfs/dbraw/zinc/33/02/90/154330290.db2.gz RGYVQSMZFXFTIS-NRSFXHEJSA-N 2 0 294.483 2.902 20 0 CFADRP CCC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCOCC1 ZINC000355581180 155044728 /nfs/dbraw/zinc/04/47/28/155044728.db2.gz JTBGHQIVOQMJOY-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000355734673 155069856 /nfs/dbraw/zinc/06/98/56/155069856.db2.gz NMNWEEKUHPKYAA-AWEZNQCLSA-N 2 0 291.420 2.669 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000355769665 155080263 /nfs/dbraw/zinc/08/02/63/155080263.db2.gz RIDNTACZGFGMNN-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CCC(F)(F)F)C1 ZINC000355876447 155106093 /nfs/dbraw/zinc/10/60/93/155106093.db2.gz BPSSOQNYXOOYFI-LBPRGKRZSA-N 2 0 264.335 2.603 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423271082 286478359 /nfs/dbraw/zinc/47/83/59/286478359.db2.gz ITVACYNCHRSLPX-KCXAZCMYSA-N 2 0 274.408 2.790 20 0 CFADRP COCCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694624 292322367 /nfs/dbraw/zinc/32/23/67/292322367.db2.gz KEONSVKMWMAHHO-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1nc2c(s1)CCCC2 ZINC000359185520 156017171 /nfs/dbraw/zinc/01/71/71/156017171.db2.gz FMLVOVCWADEBGO-UHFFFAOYSA-N 2 0 293.480 2.843 20 0 CFADRP CC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000362775849 156083583 /nfs/dbraw/zinc/08/35/83/156083583.db2.gz RRKAELVTDAFZJJ-MSOLQXFVSA-N 2 0 290.451 2.744 20 0 CFADRP Fc1ccc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000362928460 156117278 /nfs/dbraw/zinc/11/72/78/156117278.db2.gz SNJUWVZUYCHUNR-GFCCVEGCSA-N 2 0 287.382 2.881 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](CC(CC)CC)CC2)CC1 ZINC000363110864 156149934 /nfs/dbraw/zinc/14/99/34/156149934.db2.gz MLFLWQNRRAIERR-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP C[NH+](C)C1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000366817449 156242474 /nfs/dbraw/zinc/24/24/74/156242474.db2.gz GBHVTNJSNBMARB-UHFFFAOYSA-N 2 0 282.391 2.674 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000367524427 156344126 /nfs/dbraw/zinc/34/41/26/156344126.db2.gz MBAOWSTZFRVOJO-SFHVURJKSA-N 2 0 287.451 2.820 20 0 CFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367615189 156364265 /nfs/dbraw/zinc/36/42/65/156364265.db2.gz KIYOHRMFOLSSOG-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@H]2CCC[C@@H]21 ZINC000367625501 156366479 /nfs/dbraw/zinc/36/64/79/156366479.db2.gz YLPZHKHSKXZZKC-ILXRZTDVSA-N 2 0 264.438 2.753 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccsc2)[C@@H]2CCC[C@H]21 ZINC000367625770 156368422 /nfs/dbraw/zinc/36/84/22/156368422.db2.gz YWGHDFYZCUIBBP-SOUVJXGZSA-N 2 0 264.438 2.753 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccsc2)[C@H]2CCC[C@@H]21 ZINC000367625767 156368606 /nfs/dbraw/zinc/36/86/06/156368606.db2.gz YWGHDFYZCUIBBP-ILXRZTDVSA-N 2 0 264.438 2.753 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccsc2)[C@@H]2CCC[C@@H]21 ZINC000367625768 156368829 /nfs/dbraw/zinc/36/88/29/156368829.db2.gz YWGHDFYZCUIBBP-KKUMJFAQSA-N 2 0 264.438 2.753 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cs1 ZINC000367757449 156388377 /nfs/dbraw/zinc/38/83/77/156388377.db2.gz UOGFCZPMGDRGAY-ZNMIVQPWSA-N 2 0 293.480 2.710 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1OCC ZINC000423255992 286567531 /nfs/dbraw/zinc/56/75/31/286567531.db2.gz BEAMHNFRLCXUBY-UONOGXRCSA-N 2 0 294.439 2.990 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423039530 296736684 /nfs/dbraw/zinc/73/66/84/296736684.db2.gz QSYGMEJYCRKJRW-RGGMIXCSSA-N 2 0 280.456 2.558 20 0 CFADRP CCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373982689 157053498 /nfs/dbraw/zinc/05/34/98/157053498.db2.gz ZIARBABQEKFYLQ-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CCCCOC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170820 157078493 /nfs/dbraw/zinc/07/84/93/157078493.db2.gz HWMLPBNRVXUOJD-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000374528910 157126656 /nfs/dbraw/zinc/12/66/56/157126656.db2.gz WARSSJHGFPYCJY-BPQIPLTHSA-N 2 0 290.451 2.912 20 0 CFADRP O[C@H](CCc1ccccc1)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374935407 157175902 /nfs/dbraw/zinc/17/59/02/157175902.db2.gz XRNIWVLQSXOMJZ-QGZVFWFLSA-N 2 0 299.418 2.583 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC3CCOCC3)CC[C@H]21 ZINC000375067776 157190800 /nfs/dbraw/zinc/19/08/00/157190800.db2.gz DQIOQGXDRYUGML-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375454106 157246523 /nfs/dbraw/zinc/24/65/23/157246523.db2.gz SQFYCLUURMQSLN-BZSNNMDCSA-N 2 0 294.483 2.878 20 0 CFADRP C1=CO[C@@H](CN2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000375718495 157274391 /nfs/dbraw/zinc/27/43/91/157274391.db2.gz KQXBHRZLNJFTGX-MRXNPFEDSA-N 2 0 264.413 2.676 20 0 CFADRP C[C@@H](Nc1cc[nH+]cc1-c1cccnc1)C(C)(C)C[NH+](C)C ZINC000376403042 157350648 /nfs/dbraw/zinc/35/06/48/157350648.db2.gz LTYQYUPDSNOBJF-CQSZACIVSA-N 2 0 298.434 2.954 20 0 CFADRP COCCC[C@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000178344883 292382064 /nfs/dbraw/zinc/38/20/64/292382064.db2.gz OGPBQOKVYJXWOM-LBPRGKRZSA-N 2 0 256.434 2.700 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000181519260 292382861 /nfs/dbraw/zinc/38/28/61/292382861.db2.gz QBABBPTZLXIAFG-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CS[C@H](C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422942981 286712806 /nfs/dbraw/zinc/71/28/06/286712806.db2.gz XHQRCGMDDXALBU-XPKDYRNWSA-N 2 0 292.448 2.583 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000653598037 413396161 /nfs/dbraw/zinc/39/61/61/413396161.db2.gz KAXPXIAVSWTISO-HOCLYGCPSA-N 2 0 286.419 2.803 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000422747582 286804006 /nfs/dbraw/zinc/80/40/06/286804006.db2.gz QNHJRJBKAUBYEQ-WFASDCNBSA-N 2 0 299.409 2.675 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423023898 286804776 /nfs/dbraw/zinc/80/47/76/286804776.db2.gz KSGCJHBWZHGFAR-NHYWBVRUSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000342700440 298377637 /nfs/dbraw/zinc/37/76/37/298377637.db2.gz QTYZARJWFHYFDO-CVEARBPZSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]([NH2+]CCCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000651359638 413421257 /nfs/dbraw/zinc/42/12/57/413421257.db2.gz AYDYGGWUDAECTR-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000423007867 298391788 /nfs/dbraw/zinc/39/17/88/298391788.db2.gz YVWYGKCNCBRJEM-VNHYZAJKSA-N 2 0 262.397 2.658 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)CC1 ZINC000657308626 413426573 /nfs/dbraw/zinc/42/65/73/413426573.db2.gz WCNHIABIIIHAHL-MSOLQXFVSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651377627 413430013 /nfs/dbraw/zinc/43/00/13/413430013.db2.gz QPJHRPLEWPSTCF-DGCLKSJQSA-N 2 0 296.377 2.664 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CO1 ZINC000657314164 413433351 /nfs/dbraw/zinc/43/33/51/413433351.db2.gz WURMJZWZOLOFFE-LVQVYYBASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000344114428 161944371 /nfs/dbraw/zinc/94/43/71/161944371.db2.gz VUHNBFVWCLYIFC-VDHUWJSZSA-N 2 0 288.435 2.979 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422783147 533677884 /nfs/dbraw/zinc/67/78/84/533677884.db2.gz HCTFMHHOYZHDAE-XYPHTWIQSA-N 2 0 292.423 2.712 20 0 CFADRP Cc1ncc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000344474525 162050953 /nfs/dbraw/zinc/05/09/53/162050953.db2.gz ZUOGXOHYVXQPOV-SFHVURJKSA-N 2 0 296.418 2.539 20 0 CFADRP CCc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000344631275 162084859 /nfs/dbraw/zinc/08/48/59/162084859.db2.gz QBFGGRPUNGRILU-UHFFFAOYSA-N 2 0 290.451 2.574 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(c2ccncc2Cl)C[C@@H]1C ZINC000345145143 162187842 /nfs/dbraw/zinc/18/78/42/162187842.db2.gz DQUPWMFYKXQFRT-QWRGUYRKSA-N 2 0 253.777 2.654 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000345146015 162188479 /nfs/dbraw/zinc/18/84/79/162188479.db2.gz TZHFPOAPYTWDJI-DLBZAZTESA-N 2 0 256.393 2.642 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H]([NH3+])C1 ZINC000346070393 162311359 /nfs/dbraw/zinc/31/13/59/162311359.db2.gz MKWHIZYKLUASKT-KRWDZBQOSA-N 2 0 289.467 2.568 20 0 CFADRP [NH3+]CCCN(c1ccccc1F)[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346358581 162391209 /nfs/dbraw/zinc/39/12/09/162391209.db2.gz GVYFMFAQOPCFLU-LSDHHAIUSA-N 2 0 291.414 2.608 20 0 CFADRP Fc1ccc(C[NH2+]CCCCn2ccnc2)c(F)c1F ZINC000657324295 413444910 /nfs/dbraw/zinc/44/49/10/413444910.db2.gz XCTHUDAOHSYKLR-UHFFFAOYSA-N 2 0 283.297 2.870 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC[NH2+]C)CC2)CCO1 ZINC000346694261 162491436 /nfs/dbraw/zinc/49/14/36/162491436.db2.gz TWGBLPYIFMTSHB-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC(OC)C2)c1 ZINC000347192142 162622375 /nfs/dbraw/zinc/62/23/75/162622375.db2.gz DTIJSEJNZDDHKC-UHFFFAOYSA-N 2 0 276.424 2.795 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000349665142 163000369 /nfs/dbraw/zinc/00/03/69/163000369.db2.gz NEAPKBAHUJLUOR-AWEZNQCLSA-N 2 0 282.403 2.835 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CCC(OC)CC2)[C@@H](C)C1 ZINC000349724443 163008109 /nfs/dbraw/zinc/00/81/09/163008109.db2.gz UJOVRVLQLDUDOS-OTBWCIGPSA-N 2 0 282.472 2.902 20 0 CFADRP CCCn1cc(CN(C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000349800177 163018479 /nfs/dbraw/zinc/01/84/79/163018479.db2.gz LSULFIZRSMWMPT-UHFFFAOYSA-N 2 0 278.444 2.598 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CCOCC1 ZINC000349932455 163038940 /nfs/dbraw/zinc/03/89/40/163038940.db2.gz JACVGWINGKJJHT-UAGQMJEPSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC1CCOCC1 ZINC000350047873 163054029 /nfs/dbraw/zinc/05/40/29/163054029.db2.gz KSKFJKBYLPBCEK-DZKIICNBSA-N 2 0 268.445 2.512 20 0 CFADRP CCCn1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cn1 ZINC000350145346 163062972 /nfs/dbraw/zinc/06/29/72/163062972.db2.gz HNGQBBLSFQPHEV-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351230908 163121673 /nfs/dbraw/zinc/12/16/73/163121673.db2.gz USWZFAXUJCEFIC-QGZVFWFLSA-N 3 0 281.488 2.525 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)CN(C)C1CC1 ZINC000351444767 163128369 /nfs/dbraw/zinc/12/83/69/163128369.db2.gz PNTHBMBFCWXBDL-SFHVURJKSA-N 2 0 290.451 2.600 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@H]12 ZINC000351472479 163131355 /nfs/dbraw/zinc/13/13/55/163131355.db2.gz AWMZMCRUBDMYTD-CWRNSKLLSA-N 2 0 278.827 2.942 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)C(C)(C)C ZINC000351578548 163150962 /nfs/dbraw/zinc/15/09/62/163150962.db2.gz HQHQCQAOIBZWIX-CVEARBPZSA-N 2 0 284.488 2.882 20 0 CFADRP CC[NH+](CC)CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000351613857 163158688 /nfs/dbraw/zinc/15/86/88/163158688.db2.gz CKLXARZIZDBTFH-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@H](C)F)CC1 ZINC000351728640 163182685 /nfs/dbraw/zinc/18/26/85/163182685.db2.gz FXYAAQQHRBLZJA-HNNXBMFYSA-N 2 0 288.451 2.805 20 0 CFADRP COC(=O)[C@H](CC(C)C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000351721027 163182863 /nfs/dbraw/zinc/18/28/63/163182863.db2.gz RESUQPBSSZNORU-INIZCTEOSA-N 2 0 298.471 2.628 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000351866385 163205457 /nfs/dbraw/zinc/20/54/57/163205457.db2.gz SHXNXCAFCXMXLH-ZBFHGGJFSA-N 2 0 288.435 2.984 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000351866384 163205701 /nfs/dbraw/zinc/20/57/01/163205701.db2.gz SHXNXCAFCXMXLH-HOCLYGCPSA-N 2 0 288.435 2.984 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc2)n1 ZINC000351860702 163206139 /nfs/dbraw/zinc/20/61/39/163206139.db2.gz HZXGTQHOYJJBGP-RDJZCZTQSA-N 2 0 298.434 2.658 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351867642 163207836 /nfs/dbraw/zinc/20/78/36/163207836.db2.gz ZJRQADBBXGCIMP-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1[nH+]ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000352849193 163251085 /nfs/dbraw/zinc/25/10/85/163251085.db2.gz OEKSTPDHBQEKGL-LBPRGKRZSA-N 2 0 267.804 2.821 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cn1 ZINC000352901710 163266809 /nfs/dbraw/zinc/26/68/09/163266809.db2.gz QGSKIBATEKAWHU-HEHGZKQESA-N 2 0 276.428 2.597 20 0 CFADRP C[N@H+](CCCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921239 163269359 /nfs/dbraw/zinc/26/93/59/163269359.db2.gz HAFGXXOTPIPTLE-SJPCQFCGSA-N 2 0 273.424 2.571 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000353035960 163292285 /nfs/dbraw/zinc/29/22/85/163292285.db2.gz PYIIHOQTPMZSBN-DOMZBBRYSA-N 2 0 264.438 2.589 20 0 CFADRP CC[C@H]([NH2+]CCN1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353344318 163347787 /nfs/dbraw/zinc/34/77/87/163347787.db2.gz JAPGXACCUHHUHQ-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP COc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1OC ZINC000353456984 163370326 /nfs/dbraw/zinc/37/03/26/163370326.db2.gz XPNRIPDGQJDYCW-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)C2CC2)cc1 ZINC000353510463 163382894 /nfs/dbraw/zinc/38/28/94/163382894.db2.gz MLKSMYFLVAVDBZ-DYVFJYSZSA-N 2 0 299.418 2.850 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000353542330 163388601 /nfs/dbraw/zinc/38/86/01/163388601.db2.gz WALFGRLKHVWURC-ZBFHGGJFSA-N 2 0 287.451 2.740 20 0 CFADRP CN(CCC[N@H+](C)CCC1CC1)Cc1ccco1 ZINC000353542815 163389657 /nfs/dbraw/zinc/38/96/57/163389657.db2.gz LYUVBSGXSODRQF-UHFFFAOYSA-N 2 0 250.386 2.833 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNCc2ccc(F)c(F)c2F)C1 ZINC000657335989 413463015 /nfs/dbraw/zinc/46/30/15/413463015.db2.gz VYRLMNJMJDFUMB-LLVKDONJSA-N 2 0 286.341 2.924 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]CCCC[NH+](C)C)cc21 ZINC000657335096 413464792 /nfs/dbraw/zinc/46/47/92/413464792.db2.gz LHPUUAUMECGXOT-UHFFFAOYSA-N 2 0 259.397 2.908 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423538197 287021553 /nfs/dbraw/zinc/02/15/53/287021553.db2.gz MFURNQKNHPWBJD-OAHLLOKOSA-N 2 0 296.418 2.833 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000246842009 287023017 /nfs/dbraw/zinc/02/30/17/287023017.db2.gz BABUKHCZEIMTDY-QLFBSQMISA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nc2ccccc2n1C ZINC000423447723 287047559 /nfs/dbraw/zinc/04/75/59/287047559.db2.gz ZYWQASMPCJVURS-QWHCGFSZSA-N 2 0 274.412 2.741 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nc2c(s1)CCC2 ZINC000423168285 287047754 /nfs/dbraw/zinc/04/77/54/287047754.db2.gz UEJCTRJNDHKQAE-WDEREUQCSA-N 2 0 267.442 2.800 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000651430875 413469693 /nfs/dbraw/zinc/46/96/93/413469693.db2.gz FVAVJWDQMJXQAA-INMHGKMJSA-N 2 0 282.472 2.758 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000284227411 196007793 /nfs/dbraw/zinc/00/77/93/196007793.db2.gz HNQCAZHKLSTHTA-IAOVAPTHSA-N 2 0 276.424 2.729 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000284327349 196031373 /nfs/dbraw/zinc/03/13/73/196031373.db2.gz IJYUFROKKFXZSV-SJLPKXTDSA-N 2 0 288.435 2.792 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000020122539 171002894 /nfs/dbraw/zinc/00/28/94/171002894.db2.gz MORWDLNMHMDRTJ-UHFFFAOYSA-N 2 0 266.816 2.956 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000020128448 171015283 /nfs/dbraw/zinc/01/52/83/171015283.db2.gz RSVOJXOWTCQEDJ-KRWDZBQOSA-N 2 0 289.467 2.592 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1F ZINC000020129155 171017115 /nfs/dbraw/zinc/01/71/15/171017115.db2.gz JPBVQPCQCLTEGH-CYBMUJFWSA-N 2 0 280.387 2.971 20 0 CFADRP CC(C)n1ccnc1CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000657347744 413478435 /nfs/dbraw/zinc/47/84/35/413478435.db2.gz FYYMVOZWHIOSBV-OAHLLOKOSA-N 2 0 278.444 2.674 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC13CCC(CC1)C3)C2 ZINC000660662135 413479964 /nfs/dbraw/zinc/47/99/64/413479964.db2.gz IMMBKQGGSUHINQ-OFLPRAFFSA-N 2 0 262.441 2.984 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(OC(F)F)CC2)CCN1C ZINC000651469555 413488627 /nfs/dbraw/zinc/48/86/27/413488627.db2.gz RADWCDYZCXWSON-CQLXCSJHSA-N 2 0 276.371 2.609 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(OC(F)F)CC2)CCN1C ZINC000651469557 413489542 /nfs/dbraw/zinc/48/95/42/413489542.db2.gz RADWCDYZCXWSON-IGJPJIBNSA-N 2 0 276.371 2.609 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000660677112 413491136 /nfs/dbraw/zinc/49/11/36/413491136.db2.gz PJIYWZDOAXQADU-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1C)N1CC[NH+](C)CC1 ZINC000651674365 413560239 /nfs/dbraw/zinc/56/02/39/413560239.db2.gz LXYPOKHHQXXHRZ-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000651682395 413567588 /nfs/dbraw/zinc/56/75/88/413567588.db2.gz YCWQQQGZRZTAQU-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651679316 413565144 /nfs/dbraw/zinc/56/51/44/413565144.db2.gz XCEPZMXTCFOULQ-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CCCC[NH+]1CCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000157869253 287266839 /nfs/dbraw/zinc/26/68/39/287266839.db2.gz YOCZDYAKXPKVLJ-GVDBMIGSSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CCSC1 ZINC000300271257 287268190 /nfs/dbraw/zinc/26/81/90/287268190.db2.gz JIOJORFHYSAWJK-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651709087 413582601 /nfs/dbraw/zinc/58/26/01/413582601.db2.gz KHIJVGMZLVQKLB-JFIYKMOQSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000651713800 413585760 /nfs/dbraw/zinc/58/57/60/413585760.db2.gz DSDGYXXRVCMIKE-IKGGRYGDSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000664138951 413588932 /nfs/dbraw/zinc/58/89/32/413588932.db2.gz NFYRSCLNFDGPQQ-LLVKDONJSA-N 2 0 258.369 2.848 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000651739441 413603363 /nfs/dbraw/zinc/60/33/63/413603363.db2.gz VQQCERDDEBUJFN-OAHLLOKOSA-N 2 0 270.461 2.638 20 0 CFADRP C[NH+](C)C[C@@](C)(O)CNCc1cccc(C2CCCC2)c1 ZINC000657415589 413573225 /nfs/dbraw/zinc/57/32/25/413573225.db2.gz LSRURCSNBMHYQY-SFHVURJKSA-N 2 0 290.451 2.746 20 0 CFADRP c1cc(C[NH2+]CC2(C3CC3)CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657413837 413573631 /nfs/dbraw/zinc/57/36/31/413573631.db2.gz FDVGNGMXQXHXIC-UHFFFAOYSA-N 2 0 282.391 2.937 20 0 CFADRP CC(C)c1nc(C[NH2+]CCCC[NH+](C)C)c2ccccn21 ZINC000651692024 413574491 /nfs/dbraw/zinc/57/44/91/413574491.db2.gz QBCQQJZJDOVPTK-UHFFFAOYSA-N 2 0 288.439 2.889 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000415084000 298878625 /nfs/dbraw/zinc/87/86/25/298878625.db2.gz ONQAAOQLLCKZMQ-NYTXWWLZSA-N 2 0 274.408 2.671 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+][C@H]3CCc4nc[nH]c4C3)cc21 ZINC000657470280 413647032 /nfs/dbraw/zinc/64/70/32/413647032.db2.gz OVQWTOGYFXNTRY-LBPRGKRZSA-N 2 0 280.375 2.847 20 0 CFADRP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1cc3ccncc3s1)CC2 ZINC000657469997 413647253 /nfs/dbraw/zinc/64/72/53/413647253.db2.gz LORHHUSCHKGOBW-NSHDSACASA-N 2 0 284.388 2.667 20 0 CFADRP CCC(CC)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)OC ZINC000657473905 413651067 /nfs/dbraw/zinc/65/10/67/413651067.db2.gz WFZVAIVZYOQPIF-UHFFFAOYSA-N 2 0 288.395 2.562 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660924709 413663421 /nfs/dbraw/zinc/66/34/21/413663421.db2.gz PVTGWUBZSHUCQF-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657439324 413606344 /nfs/dbraw/zinc/60/63/44/413606344.db2.gz BANAKZMQTRIJAF-HUUCEWRRSA-N 2 0 277.412 2.513 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CCn4ccnc4C3)[nH]c2c1 ZINC000657440241 413607858 /nfs/dbraw/zinc/60/78/58/413607858.db2.gz PBYITMKPZNRQCE-AWEZNQCLSA-N 2 0 280.375 2.777 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(F)(F)F ZINC000657493076 413680953 /nfs/dbraw/zinc/68/09/53/413680953.db2.gz WQZQGAKVCVFCJM-LLVKDONJSA-N 2 0 298.312 2.945 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657504729 413697026 /nfs/dbraw/zinc/69/70/26/413697026.db2.gz LWWFKDCNYHBXPJ-JGZJWPJOSA-N 2 0 272.314 2.534 20 0 CFADRP CCC1(C[NH2+]C[C@@H]2CCN2C(C)(C)C)CCOCC1 ZINC000657523186 413702459 /nfs/dbraw/zinc/70/24/59/413702459.db2.gz FCQPZAFBFHALCL-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1 ZINC000657523441 413705372 /nfs/dbraw/zinc/70/53/72/413705372.db2.gz IIIPXJRDYNSOEQ-CQSZACIVSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000657525586 413705810 /nfs/dbraw/zinc/70/58/10/413705810.db2.gz SUONZPHSCHGENE-QGZVFWFLSA-N 2 0 298.434 2.835 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000657549368 413731047 /nfs/dbraw/zinc/73/10/47/413731047.db2.gz CLGQNENBRAJDNL-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)s1 ZINC000657573640 413763992 /nfs/dbraw/zinc/76/39/92/413763992.db2.gz NESMUXKUMKYDJU-ZDUSSCGKSA-N 2 0 297.512 2.727 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150053 413831693 /nfs/dbraw/zinc/83/16/93/413831693.db2.gz KJOJHTVDCWDXHS-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCC2)CC1 ZINC000661231482 413833730 /nfs/dbraw/zinc/83/37/30/413833730.db2.gz ORDZZKOIIXTXMB-INIZCTEOSA-N 2 0 282.472 2.734 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000657736403 413893023 /nfs/dbraw/zinc/89/30/23/413893023.db2.gz BSGBEWFLDDYKGN-FVQHAEBGSA-N 2 0 274.408 2.515 20 0 CFADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000652337216 413896635 /nfs/dbraw/zinc/89/66/35/413896635.db2.gz UWQBNXSLCQIWOR-LJQANCHMSA-N 2 0 298.430 2.756 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346215 413899763 /nfs/dbraw/zinc/89/97/63/413899763.db2.gz WPIWQFMXFRIZOZ-SPUZQDLCSA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCc2ccccc2)C1 ZINC000652360257 413905198 /nfs/dbraw/zinc/90/51/98/413905198.db2.gz DFPSIORIJUOUFN-FGTMMUONSA-N 2 0 288.435 2.590 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)n1 ZINC000652356056 413906344 /nfs/dbraw/zinc/90/63/44/413906344.db2.gz RCJLTMZJLWVPMS-WBMJQRKESA-N 2 0 261.413 2.648 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000652359497 413907523 /nfs/dbraw/zinc/90/75/23/413907523.db2.gz JNVGRTDJKAEIEP-UHFFFAOYSA-N 2 0 290.451 2.697 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CC[NH2+]CC2)C1 ZINC000178979516 287273380 /nfs/dbraw/zinc/27/33/80/287273380.db2.gz XPZKICVCQYQWBP-SJLPKXTDSA-N 3 0 293.499 2.572 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC2CCCC2)C1 ZINC000652362628 413911988 /nfs/dbraw/zinc/91/19/88/413911988.db2.gz LSFPQBZYHXWPDZ-ZACQAIPSSA-N 2 0 280.456 2.928 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657863744 414013440 /nfs/dbraw/zinc/01/34/40/414013440.db2.gz VKTCKSLRJNUPKL-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813495 413960792 /nfs/dbraw/zinc/96/07/92/413960792.db2.gz POOQXLHYENIMOJ-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cncc(F)c1 ZINC000657812370 413962182 /nfs/dbraw/zinc/96/21/82/413962182.db2.gz ABQYCDKDWCWUNN-CYBMUJFWSA-N 2 0 291.414 2.993 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813596 413963314 /nfs/dbraw/zinc/96/33/14/413963314.db2.gz TVVUKPGRNXSUNO-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824839 413963719 /nfs/dbraw/zinc/96/37/19/413963719.db2.gz ZBKZQDGWRSGMMR-HOTGVXAUSA-N 2 0 273.424 2.949 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657875384 414019362 /nfs/dbraw/zinc/01/93/62/414019362.db2.gz DHXNAOBKJQYGMD-KBXIAJHMSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657823620 413975445 /nfs/dbraw/zinc/97/54/45/413975445.db2.gz NSDTVAVOCHDFEI-CYBMUJFWSA-N 2 0 274.399 2.928 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657836786 413988088 /nfs/dbraw/zinc/98/80/88/413988088.db2.gz BMNGDDINXQDLDI-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657838594 413991130 /nfs/dbraw/zinc/99/11/30/413991130.db2.gz WCNVBUGVBMZSII-INIZCTEOSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657838293 413991851 /nfs/dbraw/zinc/99/18/51/413991851.db2.gz QKJDMEPHLRYNKE-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)CCC1 ZINC000657841856 413995706 /nfs/dbraw/zinc/99/57/06/413995706.db2.gz HIGVCOCPCMCJAD-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657844184 413996359 /nfs/dbraw/zinc/99/63/59/413996359.db2.gz IRDIONBJSSKDTG-AWEZNQCLSA-N 2 0 268.470 2.736 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(OCC)CC2)C1 ZINC000657842982 413996692 /nfs/dbraw/zinc/99/66/92/413996692.db2.gz CWNDLUPKGILOKQ-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C[NH+]1CCCC1 ZINC000657847172 413999968 /nfs/dbraw/zinc/99/99/68/413999968.db2.gz VIZOKNHCDPPVNG-NEPJUHHUSA-N 2 0 262.388 2.988 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)[C@@H]2CCC[C@@H]21 ZINC000657879138 414020770 /nfs/dbraw/zinc/02/07/70/414020770.db2.gz KGOXJFKZQHTBLB-WCXIOVBPSA-N 2 0 294.483 2.638 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C2(OC)CCC2)CC1 ZINC000657885928 414028249 /nfs/dbraw/zinc/02/82/49/414028249.db2.gz BCNVOUDZOUCNFU-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2occc21)C1CC[NH+](C)CC1 ZINC000037221760 173041840 /nfs/dbraw/zinc/04/18/40/173041840.db2.gz DOCMZUUXSYFAMD-IUODEOHRSA-N 2 0 262.397 2.977 20 0 CFADRP COC1([C@H](C)[NH2+]CCc2cn3c(cccc3C)n2)CCC1 ZINC000658042470 414126840 /nfs/dbraw/zinc/12/68/40/414126840.db2.gz FCXVIVLXGVKZBP-AWEZNQCLSA-N 2 0 287.407 2.732 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)C ZINC000658067895 414154965 /nfs/dbraw/zinc/15/49/65/414154965.db2.gz RHPRSRUTJIDBLG-CQSZACIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc2ccncc2s1 ZINC000657987854 414090005 /nfs/dbraw/zinc/09/00/05/414090005.db2.gz UUZMQQSDTCMNRQ-LBPRGKRZSA-N 2 0 293.436 2.525 20 0 CFADRP C1C([NH2+][C@@H]2CCCSCC2)CC1[NH+]1CCCCC1 ZINC000657999510 414097063 /nfs/dbraw/zinc/09/70/63/414097063.db2.gz IRBVOXAKHKFIOL-WLYUNCDWSA-N 2 0 268.470 2.879 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263730 414220302 /nfs/dbraw/zinc/22/03/02/414220302.db2.gz SWLBVPQKTLGHKG-OWSLCNJRSA-N 2 0 288.435 2.666 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000665265125 414222931 /nfs/dbraw/zinc/22/29/31/414222931.db2.gz PYBNNMXEBPEDLG-LSDHHAIUSA-N 2 0 271.408 2.580 20 0 CFADRP CC[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665268046 414225202 /nfs/dbraw/zinc/22/52/02/414225202.db2.gz GOZYEZYZTGICBL-PVAVHDDUSA-N 2 0 279.472 2.514 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658137000 414229865 /nfs/dbraw/zinc/22/98/65/414229865.db2.gz GEXOPEGBSJFKHX-MSOLQXFVSA-N 2 0 288.435 2.531 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1(F)F ZINC000665274518 414231631 /nfs/dbraw/zinc/23/16/31/414231631.db2.gz SAHRJWFFLFKLOH-LPWJVIDDSA-N 2 0 272.383 2.788 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658143446 414232506 /nfs/dbraw/zinc/23/25/06/414232506.db2.gz YGOXVXGDFPDDIR-KDOFPFPSSA-N 2 0 288.435 2.531 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275604 414235199 /nfs/dbraw/zinc/23/51/99/414235199.db2.gz NQWJRJPQFZNRAY-WCQYABFASA-N 2 0 275.421 2.556 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277647 414237284 /nfs/dbraw/zinc/23/72/84/414237284.db2.gz HJZUMHLGWZZADW-MSIBERQWSA-N 2 0 250.430 2.789 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000665230234 414189903 /nfs/dbraw/zinc/18/99/03/414189903.db2.gz LHRVZUSMCKGNGV-LMNGEROHSA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000665236069 414190771 /nfs/dbraw/zinc/19/07/71/414190771.db2.gz GRCJTKNJYMTNBL-VVLHAWIVSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236968 414192528 /nfs/dbraw/zinc/19/25/28/414192528.db2.gz XLXZODWEXWKGBY-OAGGEKHMSA-N 2 0 281.488 2.760 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000665236739 414193366 /nfs/dbraw/zinc/19/33/66/414193366.db2.gz SRTXFXBOKORROB-AGIUHOORSA-N 2 0 252.377 2.781 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665236031 414194249 /nfs/dbraw/zinc/19/42/49/414194249.db2.gz FVEBUICWHYTOKR-XOKHGSTOSA-N 2 0 274.408 2.926 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)noc2c1 ZINC000665232159 414194602 /nfs/dbraw/zinc/19/46/02/414194602.db2.gz HGVPMLQBLMMPGM-IMJJTQAJSA-N 2 0 299.418 2.881 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2o1 ZINC000665237504 414196768 /nfs/dbraw/zinc/19/67/68/414196768.db2.gz CCAZWIVHTAIPAV-ARFHVFGLSA-N 2 0 270.376 2.911 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239224 414197806 /nfs/dbraw/zinc/19/78/06/414197806.db2.gz OELKKETTWLRASL-WBVHZDCISA-N 2 0 283.419 2.884 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244442 414201076 /nfs/dbraw/zinc/20/10/76/414201076.db2.gz NFWAONRAXDWQNV-SWLSCSKDSA-N 2 0 292.398 2.974 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000665277420 414238885 /nfs/dbraw/zinc/23/88/85/414238885.db2.gz BDMLIYXDXQEHCP-ILGZHXLLSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1C ZINC000665245788 414204873 /nfs/dbraw/zinc/20/48/73/414204873.db2.gz REUMCRUSHYLREQ-YOEHRIQHSA-N 2 0 260.425 2.824 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000658109724 414210621 /nfs/dbraw/zinc/21/06/21/414210621.db2.gz VNXRQNBEGNKDEI-DLBZAZTESA-N 2 0 291.483 2.918 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277817 414239127 /nfs/dbraw/zinc/23/91/27/414239127.db2.gz MKCKXDUVZAPBNI-LXPRWKDFSA-N 2 0 272.436 2.985 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC(C)(C)F ZINC000665262232 414216400 /nfs/dbraw/zinc/21/64/00/414216400.db2.gz WTMXIPKCMGZANQ-JTQLQIEISA-N 2 0 253.365 2.638 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665261597 414217394 /nfs/dbraw/zinc/21/73/94/414217394.db2.gz HHXSPGCHZKBNEF-WOPDTQHZSA-N 2 0 284.350 2.592 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000665257910 414218117 /nfs/dbraw/zinc/21/81/17/414218117.db2.gz YCQWSVFKEBWYHR-ZACQAIPSSA-N 2 0 294.414 2.532 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000665258841 414218256 /nfs/dbraw/zinc/21/82/56/414218256.db2.gz MZSPIMZHRNDDBT-UNTBTUBKSA-N 2 0 276.399 2.905 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000665261816 414219048 /nfs/dbraw/zinc/21/90/48/414219048.db2.gz MBGZQEALLIZUFP-CQSZACIVSA-N 2 0 276.380 2.585 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000665280773 414242265 /nfs/dbraw/zinc/24/22/65/414242265.db2.gz LARWKLQLDOGJMZ-RHSMWYFYSA-N 2 0 286.423 2.896 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000665281442 414242512 /nfs/dbraw/zinc/24/25/12/414242512.db2.gz CFCHNZDVTPXQEX-CABCVRRESA-N 2 0 284.831 2.991 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000665279396 414243050 /nfs/dbraw/zinc/24/30/50/414243050.db2.gz BOMAPKJYZUUCFN-DZGCQCFKSA-N 2 0 292.423 2.872 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000665280811 414243565 /nfs/dbraw/zinc/24/35/65/414243565.db2.gz MHAJBUKCHSZZJI-KBAYOESNSA-N 2 0 289.467 2.612 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281247 414245188 /nfs/dbraw/zinc/24/51/88/414245188.db2.gz YFWLEFZUAPVFPM-RHSMWYFYSA-N 2 0 294.439 2.736 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000665281276 414245358 /nfs/dbraw/zinc/24/53/58/414245358.db2.gz YZJGXQPEXRRMCO-IUODEOHRSA-N 2 0 289.423 2.595 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000665281570 414247041 /nfs/dbraw/zinc/24/70/41/414247041.db2.gz GYQVQNRNXSPZDA-GDBMZVCRSA-N 2 0 261.413 2.896 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000665282120 414247297 /nfs/dbraw/zinc/24/72/97/414247297.db2.gz RDNUWVFNYDZESC-QKPAOTATSA-N 2 0 268.445 2.545 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000665283278 414249410 /nfs/dbraw/zinc/24/94/10/414249410.db2.gz KNVSZNMYTPLWIF-HRCADAONSA-N 2 0 268.445 2.831 20 0 CFADRP CC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168515 414255234 /nfs/dbraw/zinc/25/52/34/414255234.db2.gz UHMNOTDUPWOOMV-CQSZACIVSA-N 2 0 261.413 2.682 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170941 414264201 /nfs/dbraw/zinc/26/42/01/414264201.db2.gz UTSGVWLCOJQNLL-ZOBUZTSGSA-N 2 0 276.424 2.522 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665300105 414271748 /nfs/dbraw/zinc/27/17/48/414271748.db2.gz YJUYUJRCPOPYLY-AEFFLSMTSA-N 2 0 290.451 2.698 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000665300109 414272935 /nfs/dbraw/zinc/27/29/35/414272935.db2.gz YMILJPCJQPQGAX-ATZDWAIDSA-N 2 0 299.462 2.843 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccoc2)CC1 ZINC000658202568 414277456 /nfs/dbraw/zinc/27/74/56/414277456.db2.gz WGOVASLPTZQKFW-UHFFFAOYSA-N 2 0 250.386 2.675 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000658209906 414285304 /nfs/dbraw/zinc/28/53/04/414285304.db2.gz KNIARRNFWCBCMT-ARFHVFGLSA-N 2 0 294.464 2.857 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2COc3cc(F)ccc3C2)CC1 ZINC000658227384 414299094 /nfs/dbraw/zinc/29/90/94/414299094.db2.gz VRQWTSDLEKCMFC-INIZCTEOSA-N 2 0 292.398 2.592 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000037715175 173633865 /nfs/dbraw/zinc/63/38/65/173633865.db2.gz DNNRNEPKOWXXBK-JTQLQIEISA-N 2 0 258.312 2.678 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655683871 414358725 /nfs/dbraw/zinc/35/87/25/414358725.db2.gz WYPORXVWVGUYTD-GXTWGEPZSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CS1 ZINC000655702393 414376477 /nfs/dbraw/zinc/37/64/77/414376477.db2.gz VMLWUFCYYQUTKJ-TZMCWYRMSA-N 2 0 268.470 2.877 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658332202 414382266 /nfs/dbraw/zinc/38/22/66/414382266.db2.gz OYMNXHVAXNSMIR-SVGFKBNWSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000655715967 414385716 /nfs/dbraw/zinc/38/57/16/414385716.db2.gz MFMOZXPYKRWFHI-TZMCWYRMSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000658337999 414387501 /nfs/dbraw/zinc/38/75/01/414387501.db2.gz ZWZIICUBMGRUSF-LLVKDONJSA-N 2 0 262.388 2.988 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655719832 414390217 /nfs/dbraw/zinc/39/02/17/414390217.db2.gz NDCUYILANKLYPW-ZFWWWQNUSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000655751656 414408005 /nfs/dbraw/zinc/40/80/05/414408005.db2.gz PLCOQAXSXVMEQT-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CC1CCC1 ZINC000662158756 414437644 /nfs/dbraw/zinc/43/76/44/414437644.db2.gz WUMZLYPXABBQBO-DLBZAZTESA-N 2 0 282.472 2.732 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CCCC1CCOCC1 ZINC000662180677 414446341 /nfs/dbraw/zinc/44/63/41/414446341.db2.gz UPGQYJKHNMNWJD-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000655803907 414449389 /nfs/dbraw/zinc/44/93/89/414449389.db2.gz HSWLOVDGHAATAP-FIDHJVLJSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000655804858 414449440 /nfs/dbraw/zinc/44/94/40/414449440.db2.gz DOVQGDVWTQOQAN-IETSOEAISA-N 2 0 280.362 2.882 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000655804028 414449584 /nfs/dbraw/zinc/44/95/84/414449584.db2.gz MSLQNPUJAZRODG-GMXVVIOVSA-N 2 0 267.804 2.726 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C12CCCC2 ZINC000655806063 414450710 /nfs/dbraw/zinc/45/07/10/414450710.db2.gz YNMRFNLLRAVBMG-QKPAOTATSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000655805169 414450715 /nfs/dbraw/zinc/45/07/15/414450715.db2.gz JUGNONJMSMFPRP-QLFBSQMISA-N 2 0 261.413 2.853 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000655805406 414451542 /nfs/dbraw/zinc/45/15/42/414451542.db2.gz NBAVRLSIGVLIGF-NFAWXSAZSA-N 2 0 293.430 2.883 20 0 CFADRP COc1cccc(SCC[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000662246814 414473539 /nfs/dbraw/zinc/47/35/39/414473539.db2.gz SEDYIQCUMGESAQ-CYBMUJFWSA-N 2 0 294.464 2.847 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246781 414473681 /nfs/dbraw/zinc/47/36/81/414473681.db2.gz RNRHSVBXFOBPLC-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP C[NH2+]C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662246401 414473692 /nfs/dbraw/zinc/47/36/92/414473692.db2.gz WYGBYUDWNRCHCR-OAHLLOKOSA-N 2 0 258.409 2.790 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655826054 414462904 /nfs/dbraw/zinc/46/29/04/414462904.db2.gz FFCATCQCUUFEAM-IYBDPMFKSA-N 2 0 276.424 2.904 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000655826017 414462934 /nfs/dbraw/zinc/46/29/34/414462934.db2.gz CKJQLFRKLBVNPX-GMCZLCDKSA-N 2 0 262.372 2.769 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826771 414463218 /nfs/dbraw/zinc/46/32/18/414463218.db2.gz YRWNEEORANFJPE-FZNQNYSPSA-N 2 0 276.424 2.904 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000655827672 414465120 /nfs/dbraw/zinc/46/51/20/414465120.db2.gz XSOZMEUVOPIVFC-XBXGTLAGSA-N 2 0 287.382 2.804 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246749 414473874 /nfs/dbraw/zinc/47/38/74/414473874.db2.gz RHHVDGJDDJQEQP-GFCCVEGCSA-N 2 0 284.856 2.973 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+])C1CCCCC1 ZINC000662234822 414467541 /nfs/dbraw/zinc/46/75/41/414467541.db2.gz NSFSXGDBISREEN-CWRNSKLLSA-N 2 0 268.445 2.783 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352169 414398267 /nfs/dbraw/zinc/39/82/67/414398267.db2.gz DMJFTXZWTASGMN-ZDUSSCGKSA-N 2 0 288.439 2.558 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1C ZINC000658353452 414398974 /nfs/dbraw/zinc/39/89/74/414398974.db2.gz MXXUHFVKCADBNO-CQSZACIVSA-N 2 0 276.424 2.824 20 0 CFADRP CO[C@@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)C1CCCC1 ZINC000662245735 414474956 /nfs/dbraw/zinc/47/49/56/414474956.db2.gz OFQUXHZYUNHBOH-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251069 414475664 /nfs/dbraw/zinc/47/56/64/414475664.db2.gz XIWMNDGTBSUASJ-DOMZBBRYSA-N 2 0 294.826 2.854 20 0 CFADRP C[N@@H+](Cc1cccc2ccccc21)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249131 414475771 /nfs/dbraw/zinc/47/57/71/414475771.db2.gz PZLDMSRMVNINIJ-QGZVFWFLSA-N 2 0 296.414 2.793 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CCCCO1 ZINC000655849142 414476107 /nfs/dbraw/zinc/47/61/07/414476107.db2.gz NMWDBXVIWAOKIB-LUYZLQTOSA-N 2 0 266.429 2.549 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250639 414476564 /nfs/dbraw/zinc/47/65/64/414476564.db2.gz KMMMXEUEZOUXNL-LSDHHAIUSA-N 2 0 274.408 2.509 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000655848602 414476654 /nfs/dbraw/zinc/47/66/54/414476654.db2.gz IJAGFJOKDMAHDO-JYJNAYRXSA-N 2 0 280.456 2.941 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000655849159 414477131 /nfs/dbraw/zinc/47/71/31/414477131.db2.gz PPRPSEXYEOZKLG-ZJIFWQFVSA-N 2 0 266.429 2.551 20 0 CFADRP c1ccc(N2CC[C@H]([NH2+][C@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000655848623 414477411 /nfs/dbraw/zinc/47/74/11/414477411.db2.gz IYIBIBRLYGFUGO-YTQUADARSA-N 2 0 299.462 2.872 20 0 CFADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C(C1CC1)C1CC1 ZINC000662255649 414478943 /nfs/dbraw/zinc/47/89/43/414478943.db2.gz ZPHJRCVHVIGFCH-UHFFFAOYSA-N 2 0 270.420 2.953 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000662256255 414479610 /nfs/dbraw/zinc/47/96/10/414479610.db2.gz HVGHWTJZWPRZBD-INIZCTEOSA-N 2 0 292.467 2.944 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662264171 414482722 /nfs/dbraw/zinc/48/27/22/414482722.db2.gz BPHCFMITJXFBMW-GHMZBOCLSA-N 2 0 286.391 2.726 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000662273498 414489220 /nfs/dbraw/zinc/48/92/20/414489220.db2.gz NPNOYZVGKADSJI-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)c1cccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000662274938 414490734 /nfs/dbraw/zinc/49/07/34/414490734.db2.gz ZFIPQUGTKIAYFH-DLBZAZTESA-N 2 0 258.409 2.994 20 0 CFADRP CC(C)c1cccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000662274941 414491149 /nfs/dbraw/zinc/49/11/49/414491149.db2.gz ZFIPQUGTKIAYFH-SJORKVTESA-N 2 0 258.409 2.994 20 0 CFADRP COc1ccc(C(C)C)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000655937219 414493457 /nfs/dbraw/zinc/49/34/57/414493457.db2.gz WPOXGFAEAMWGEH-UHFFFAOYSA-N 2 0 276.424 2.989 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)C1CCCCC1 ZINC000662277652 414493535 /nfs/dbraw/zinc/49/35/35/414493535.db2.gz RLIMNXRVNQJQHM-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000662277075 414493695 /nfs/dbraw/zinc/49/36/95/414493695.db2.gz QSLYQRJQVJQABJ-OKZBNKHCSA-N 2 0 288.435 2.838 20 0 CFADRP CO[C@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000662283967 414494297 /nfs/dbraw/zinc/49/42/97/414494297.db2.gz SGRAOZBHYLMEDJ-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP c1cncc([C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662283065 414494343 /nfs/dbraw/zinc/49/43/43/414494343.db2.gz KDWIMOZMGCGQKK-QGZVFWFLSA-N 2 0 293.414 2.717 20 0 CFADRP CC(C)=CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662283956 414494942 /nfs/dbraw/zinc/49/49/42/414494942.db2.gz DSXJXXAXXPVVAS-HRCADAONSA-N 2 0 266.429 2.561 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000662283253 414495593 /nfs/dbraw/zinc/49/55/93/414495593.db2.gz GEPHUZVSOWUNOS-ZXXIGWHRSA-N 2 0 292.467 2.783 20 0 CFADRP CC[N@H+](CCc1noc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000655938536 414496159 /nfs/dbraw/zinc/49/61/59/414496159.db2.gz XKIPHTFWLAEMMF-AWEZNQCLSA-N 2 0 287.407 2.834 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC000662286179 414496373 /nfs/dbraw/zinc/49/63/73/414496373.db2.gz PIQGTAADLVZMJR-BRWVUGGUSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662285099 414496426 /nfs/dbraw/zinc/49/64/26/414496426.db2.gz WLINSGGZKLEMEH-VNQPRFMTSA-N 2 0 258.409 2.918 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000662293044 414496674 /nfs/dbraw/zinc/49/66/74/414496674.db2.gz IUKNKOYVKKHVCG-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000662293043 414496866 /nfs/dbraw/zinc/49/68/66/414496866.db2.gz IUKNKOYVKKHVCG-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000662293506 414497497 /nfs/dbraw/zinc/49/74/97/414497497.db2.gz LRHALOGIEPSHEE-GOSISDBHSA-N 2 0 287.451 2.726 20 0 CFADRP Cc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000662299588 414498459 /nfs/dbraw/zinc/49/84/59/414498459.db2.gz RZSNATBSDRIONM-OAHLLOKOSA-N 2 0 258.409 2.743 20 0 CFADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000662298952 414499178 /nfs/dbraw/zinc/49/91/78/414499178.db2.gz HRWVMPIKOPCSOX-HNNXBMFYSA-N 2 0 272.436 2.822 20 0 CFADRP CC(C)([NH3+])c1noc(C[NH2+][C@H]2CCCC23CCCCC3)n1 ZINC000662295518 414499730 /nfs/dbraw/zinc/49/97/30/414499730.db2.gz MHXMGODAGWKTHZ-LBPRGKRZSA-N 2 0 292.427 2.856 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000662311356 414504137 /nfs/dbraw/zinc/50/41/37/414504137.db2.gz RXWOFJQZWXJBJS-CRAIPNDOSA-N 2 0 288.435 2.658 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)C1CC[NH2+]CC1 ZINC000662314464 414504908 /nfs/dbraw/zinc/50/49/08/414504908.db2.gz PGURKUPPCLTKRV-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662316150 414505745 /nfs/dbraw/zinc/50/57/45/414505745.db2.gz IYUBINZHTWYCLH-HOCLYGCPSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662325385 414507313 /nfs/dbraw/zinc/50/73/13/414507313.db2.gz MMRZTMPUHHJEKY-IXDOHACOSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000662322475 414507364 /nfs/dbraw/zinc/50/73/64/414507364.db2.gz HZDMVSNNCNBJKC-GOSISDBHSA-N 2 0 290.451 2.846 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3CCC2CC[NH2+]CC2)cc1 ZINC000662327408 414507407 /nfs/dbraw/zinc/50/74/07/414507407.db2.gz INQISZHXQHXQOY-UHFFFAOYSA-N 2 0 270.420 2.997 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2C=CCCCCC2)CCO1 ZINC000662323950 414507535 /nfs/dbraw/zinc/50/75/35/414507535.db2.gz QPHJGUBIMZYTDF-IRXDYDNUSA-N 2 0 280.456 2.918 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000656193184 414531074 /nfs/dbraw/zinc/53/10/74/414531074.db2.gz XYAHFQMLVMYNEU-STQMWFEESA-N 2 0 268.788 2.708 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Nc1ccccc1 ZINC000656198087 414531901 /nfs/dbraw/zinc/53/19/01/414531901.db2.gz DKLFNGJVUQRHIA-PVAVHDDUSA-N 2 0 275.440 2.983 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197736 414532633 /nfs/dbraw/zinc/53/26/33/414532633.db2.gz GARQHLXTTPCKHK-CABCVRRESA-N 2 0 276.424 2.832 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c[nH]c21 ZINC000656196912 414532765 /nfs/dbraw/zinc/53/27/65/414532765.db2.gz UQPKMOIQIJOMNV-CABCVRRESA-N 2 0 271.408 2.878 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197428 414532840 /nfs/dbraw/zinc/53/28/40/414532840.db2.gz IUISWITZKFYQRE-CABCVRRESA-N 2 0 262.397 2.623 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]1 ZINC000656200742 414533659 /nfs/dbraw/zinc/53/36/59/414533659.db2.gz CYUKXYCUSWDYMY-LOWVWBTDSA-N 2 0 260.372 2.931 20 0 CFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000656202061 414533880 /nfs/dbraw/zinc/53/38/80/414533880.db2.gz WYEDLKQEKQCGQX-SNPRPXQTSA-N 2 0 290.407 2.626 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000656201485 414534898 /nfs/dbraw/zinc/53/48/98/414534898.db2.gz QAGYTFUFZSOHSV-DZGCQCFKSA-N 2 0 293.455 2.951 20 0 CFADRP CCc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000656211477 414539241 /nfs/dbraw/zinc/53/92/41/414539241.db2.gz FRHADOFXAQASJQ-OTVXOJSOSA-N 2 0 283.419 2.971 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662422493 414540046 /nfs/dbraw/zinc/54/00/46/414540046.db2.gz QBWVKQCQZJYCLW-LBPRGKRZSA-N 2 0 295.386 2.604 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659877092 414602533 /nfs/dbraw/zinc/60/25/33/414602533.db2.gz PRIGYGSNVXIODS-OAHLLOKOSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(C[C@@H]2[NH2+]Cc3ccccc32)n1 ZINC000656560433 414608093 /nfs/dbraw/zinc/60/80/93/414608093.db2.gz XSEBSKJVVGYBAT-KGLIPLIRSA-N 2 0 286.379 2.503 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366486754 287284687 /nfs/dbraw/zinc/28/46/87/287284687.db2.gz FIZMCJIJNHBEID-OAGGEKHMSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000659844183 414581816 /nfs/dbraw/zinc/58/18/16/414581816.db2.gz HUYXPYQJYODPCO-KSZLIROESA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H](CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[NH+](C)C ZINC000662634168 414582337 /nfs/dbraw/zinc/58/23/37/414582337.db2.gz QQMINNHVQYZHLG-HOCLYGCPSA-N 2 0 297.487 2.521 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(C2CC2)no1 ZINC000659961514 414633025 /nfs/dbraw/zinc/63/30/25/414633025.db2.gz PNUZHPQHVKGPKZ-AWEZNQCLSA-N 2 0 277.412 2.858 20 0 CFADRP CC[C@H]([NH2+]CCN(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000656681223 414635152 /nfs/dbraw/zinc/63/51/52/414635152.db2.gz BVABMYLCPBVXAO-KRWDZBQOSA-N 2 0 295.446 2.750 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000660010146 414649000 /nfs/dbraw/zinc/64/90/00/414649000.db2.gz GIIYSPNILVAZCW-GVDBMIGSSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[NH+]1CCC(N(C)CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659983515 414640208 /nfs/dbraw/zinc/64/02/08/414640208.db2.gz OLDVTLHGFUYIPI-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656697285 414641737 /nfs/dbraw/zinc/64/17/37/414641737.db2.gz AGIZNAMKIRWGFD-HRCADAONSA-N 2 0 270.461 2.588 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](OC)C2CCCC2)CC1 ZINC000659983845 414642444 /nfs/dbraw/zinc/64/24/44/414642444.db2.gz WYANKIJAKLBYAS-QGZVFWFLSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000660065349 414657116 /nfs/dbraw/zinc/65/71/16/414657116.db2.gz VFSBJQWQCOPJQW-PMPSAXMXSA-N 2 0 284.488 2.882 20 0 CFADRP CC(C)c1cccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000663314966 414671340 /nfs/dbraw/zinc/67/13/40/414671340.db2.gz FNUKORGJHGKSGQ-INIZCTEOSA-N 2 0 289.467 2.536 20 0 CFADRP CO[C@@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CCC1 ZINC000660155876 414672575 /nfs/dbraw/zinc/67/25/75/414672575.db2.gz DQGHTMFTOIPMBJ-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CC[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668111 174367010 /nfs/dbraw/zinc/36/70/10/174367010.db2.gz IGCVIKWWHCDJRW-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000040668689 174367648 /nfs/dbraw/zinc/36/76/48/174367648.db2.gz VAIBXIBAOJZJTJ-SOLBZPMBSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663343823 414676112 /nfs/dbraw/zinc/67/61/12/414676112.db2.gz FZXLDCYETPMQQP-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343796 414676130 /nfs/dbraw/zinc/67/61/30/414676130.db2.gz FLEYMHMGAUYSSD-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663343821 414676574 /nfs/dbraw/zinc/67/65/74/414676574.db2.gz FZXLDCYETPMQQP-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000663343780 414676613 /nfs/dbraw/zinc/67/66/13/414676613.db2.gz FFAVCYODJYWEJK-VDERGJSUSA-N 2 0 250.430 2.743 20 0 CFADRP c1cn2c(cccc2C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663346230 414678104 /nfs/dbraw/zinc/67/81/04/414678104.db2.gz RDZMCXDILXXBLR-MRXNPFEDSA-N 2 0 298.434 2.546 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423413064 287295321 /nfs/dbraw/zinc/29/53/21/287295321.db2.gz JOUKEBISMCMRBL-LVQVYYBASA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423226409 289772341 /nfs/dbraw/zinc/77/23/41/289772341.db2.gz QOYHRGXRYWIKRA-ZANVPECISA-N 2 0 283.213 2.763 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000044512391 175188244 /nfs/dbraw/zinc/18/82/44/175188244.db2.gz SOKVBBPIBBBTSA-UHFFFAOYSA-N 2 0 256.752 2.650 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(OC)c1 ZINC000044515519 175189953 /nfs/dbraw/zinc/18/99/53/175189953.db2.gz KYGOYNBBZIDHRU-ZDUSSCGKSA-N 2 0 292.423 2.696 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000044515291 175190175 /nfs/dbraw/zinc/19/01/75/175190175.db2.gz XKLOLCFYTFMNNC-UHFFFAOYSA-N 2 0 284.350 2.719 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516304 175190559 /nfs/dbraw/zinc/19/05/59/175190559.db2.gz CNNDHVUPAQHNHT-AWEZNQCLSA-N 2 0 276.424 2.558 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000044518362 175190689 /nfs/dbraw/zinc/19/06/89/175190689.db2.gz HRZRIRYLYQFNHV-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044532816 175195689 /nfs/dbraw/zinc/19/56/89/175195689.db2.gz SBHIMVNAMYLHRO-CABCVRRESA-N 2 0 276.424 2.996 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044533047 175196477 /nfs/dbraw/zinc/19/64/77/175196477.db2.gz CLXQNIIWGJGFIM-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@](C)(O)C2CC2)CC1 ZINC000358710603 287311333 /nfs/dbraw/zinc/31/13/33/287311333.db2.gz FYRMXRYBJXUAEF-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000070169667 175877051 /nfs/dbraw/zinc/87/70/51/175877051.db2.gz GAEMAIYNCOXNCP-JTQLQIEISA-N 2 0 272.314 2.665 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000071170343 176050839 /nfs/dbraw/zinc/05/08/39/176050839.db2.gz DGUJPYVEYQYSIW-UHFFFAOYSA-N 2 0 288.435 2.832 20 0 CFADRP CCCCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000078775122 177385577 /nfs/dbraw/zinc/38/55/77/177385577.db2.gz PUYOUNVAGKNSHH-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174524 299000401 /nfs/dbraw/zinc/00/04/01/299000401.db2.gz CHLXYGRZRQWNRC-ZNMIVQPWSA-N 2 0 282.472 2.935 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000178411188 299005743 /nfs/dbraw/zinc/00/57/43/299005743.db2.gz SBTWTWYWSGDJCA-MZGVZZPPSA-N 2 0 287.407 2.566 20 0 CFADRP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC34CC4)cc2)cn1 ZINC000418101049 228050608 /nfs/dbraw/zinc/05/06/08/228050608.db2.gz SDFIVFMPUBTGLI-AWEZNQCLSA-N 2 0 253.349 2.762 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916263 420501886 /nfs/dbraw/zinc/50/18/86/420501886.db2.gz KROVCJXTFVEGRH-IRXDYDNUSA-N 2 0 258.409 2.959 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nccs1 ZINC000400929549 420502855 /nfs/dbraw/zinc/50/28/55/420502855.db2.gz IJGLNWYNFIBYJJ-LOWDOPEQSA-N 2 0 265.426 2.572 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000400987777 420502925 /nfs/dbraw/zinc/50/29/25/420502925.db2.gz XBRHNWAMOAMBJI-QLFBSQMISA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000516914476 260267056 /nfs/dbraw/zinc/26/70/56/260267056.db2.gz XBIBBEPNRGIWCI-SOUVJXGZSA-N 2 0 274.408 2.530 20 0 CFADRP CC[C@H](c1ccc(Cl)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313348271 260286532 /nfs/dbraw/zinc/28/65/32/260286532.db2.gz IMWBNNZSMSRAQE-HUUCEWRRSA-N 2 0 282.815 2.841 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000393628991 262087288 /nfs/dbraw/zinc/08/72/88/262087288.db2.gz HPVNNJIHABSPIQ-KKUMJFAQSA-N 2 0 270.461 2.684 20 0 CFADRP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000390228442 262160536 /nfs/dbraw/zinc/16/05/36/262160536.db2.gz DOXDKZQCQVTCLP-YNEHKIRRSA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000390311405 262177552 /nfs/dbraw/zinc/17/75/52/262177552.db2.gz FXCYFDXQZDLMIK-AEFFLSMTSA-N 2 0 298.434 2.539 20 0 CFADRP CC[C@H]1[C@@H](C)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192803940 262211162 /nfs/dbraw/zinc/21/11/62/262211162.db2.gz AVNYWYWYNUAWRK-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC2(F)F)CN1C1CC1 ZINC000390566198 262218915 /nfs/dbraw/zinc/21/89/15/262218915.db2.gz BMZZDJWWEVDEQU-IJLUTSLNSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000390623847 262230220 /nfs/dbraw/zinc/23/02/20/262230220.db2.gz GPBCCQLUIQSAJG-CVEARBPZSA-N 2 0 277.456 2.614 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000390836175 262350153 /nfs/dbraw/zinc/35/01/53/262350153.db2.gz QOHYDZHELDTIMU-OZSLIKBDSA-N 2 0 279.472 2.512 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000391119850 262381917 /nfs/dbraw/zinc/38/19/17/262381917.db2.gz ILGWEFBMBYEMQH-GVDBMIGSSA-N 2 0 273.424 2.790 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)ccn1 ZINC000391129718 262382532 /nfs/dbraw/zinc/38/25/32/262382532.db2.gz FWTNMQHPUISXQM-ZBFHGGJFSA-N 2 0 261.413 2.790 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000222976190 270255337 /nfs/dbraw/zinc/25/53/37/270255337.db2.gz XYKWNKSXXIEBPS-WCQGTBRESA-N 2 0 253.415 2.680 20 0 CFADRP C[C@H]1CCCC[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770628 263042287 /nfs/dbraw/zinc/04/22/87/263042287.db2.gz PFCIWQJBVGGGAS-JONQDZQNSA-N 2 0 250.430 2.744 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000519381420 265408992 /nfs/dbraw/zinc/40/89/92/265408992.db2.gz FVMWVUXEYBCLFP-INIZCTEOSA-N 2 0 274.408 2.798 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000514652695 266028406 /nfs/dbraw/zinc/02/84/06/266028406.db2.gz RHTYQNDUJZPKKS-MIFYACCESA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@H](C)C[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000192752811 270234071 /nfs/dbraw/zinc/23/40/71/270234071.db2.gz YOIKYJHLWKDUMN-KRWDZBQOSA-N 2 0 283.504 2.771 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000237225083 270265913 /nfs/dbraw/zinc/26/59/13/270265913.db2.gz QTAKLHZQULBHAP-SUMWQHHRSA-N 2 0 297.402 2.681 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000258855756 270274750 /nfs/dbraw/zinc/27/47/50/270274750.db2.gz FININZANFRAPAV-KBPBESRZSA-N 2 0 250.361 2.573 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000258912085 270274931 /nfs/dbraw/zinc/27/49/31/270274931.db2.gz FGELEKSPGBCQLH-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP Clc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000258896673 270275029 /nfs/dbraw/zinc/27/50/29/270275029.db2.gz DDZLTIJTPLASJA-LBPRGKRZSA-N 2 0 252.789 2.819 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000315164318 270291469 /nfs/dbraw/zinc/29/14/69/270291469.db2.gz YYXSONRFWUSKFK-IAGOWNOFSA-N 2 0 288.435 2.756 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCC1 ZINC000322597214 270296442 /nfs/dbraw/zinc/29/64/42/270296442.db2.gz XLIXNGOMUZLMPN-ROUUACIJSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000392256196 270306851 /nfs/dbraw/zinc/30/68/51/270306851.db2.gz KGSLMVIKFXYCHZ-QWHCGFSZSA-N 2 0 276.346 2.959 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000392256192 270306938 /nfs/dbraw/zinc/30/69/38/270306938.db2.gz KGSLMVIKFXYCHZ-CHWSQXEVSA-N 2 0 276.346 2.959 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)CC(C)(C)C ZINC000393441995 270307437 /nfs/dbraw/zinc/30/74/37/270307437.db2.gz OFKIQGHDKWPUEH-KFWWJZLASA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394227559 270309197 /nfs/dbraw/zinc/30/91/97/270309197.db2.gz GOFNFTOBTFCRAI-BNOWGMLFSA-N 2 0 280.362 2.957 20 0 CFADRP CO[C@@H]1CCN(CCCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000395164116 270311745 /nfs/dbraw/zinc/31/17/45/270311745.db2.gz KGFWMPPLAORXEV-HZPDHXFCSA-N 2 0 268.445 2.785 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000395367151 270312431 /nfs/dbraw/zinc/31/24/31/270312431.db2.gz ZXWPRMNTLNDIMJ-YIOUJQMASA-N 2 0 256.459 2.625 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397253725 270316396 /nfs/dbraw/zinc/31/63/96/270316396.db2.gz QGNVFTVGXRGIHL-FMKPAKJESA-N 2 0 276.424 2.809 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000397255725 270316561 /nfs/dbraw/zinc/31/65/61/270316561.db2.gz FIVNXIGZHSGRKH-GVXVVHGQSA-N 2 0 252.427 2.862 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1OC ZINC000397346044 270317112 /nfs/dbraw/zinc/31/71/12/270317112.db2.gz SCXRWSWNNREATH-NFAWXSAZSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000397318038 270317222 /nfs/dbraw/zinc/31/72/22/270317222.db2.gz RVAFDDATIOEAOA-YRGRVCCFSA-N 2 0 250.361 2.631 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1csc(Br)c1 ZINC000397310504 270317555 /nfs/dbraw/zinc/31/75/55/270317555.db2.gz OOSGEMSZSTTYER-MRVPVSSYSA-N 2 0 277.231 2.728 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1csc2ccccc12 ZINC000422931250 270332444 /nfs/dbraw/zinc/33/24/44/270332444.db2.gz BHGYQXUTQIHXIO-CQSZACIVSA-N 2 0 292.448 2.787 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459377341 270336620 /nfs/dbraw/zinc/33/66/20/270336620.db2.gz MIERXQHASJUFRY-UHFFFAOYSA-N 2 0 296.418 2.705 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000514930750 270358695 /nfs/dbraw/zinc/35/86/95/270358695.db2.gz PNXPYBPXYKQPLA-SWLSCSKDSA-N 2 0 289.423 2.739 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000515346010 270368090 /nfs/dbraw/zinc/36/80/90/270368090.db2.gz HRGAXSYMYFEBJC-UONOGXRCSA-N 2 0 264.413 2.937 20 0 CFADRP c1ccc2c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccnc2c1 ZINC000516181499 270378974 /nfs/dbraw/zinc/37/89/74/270378974.db2.gz JNIIGYAEXPWNPT-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000516272947 270379664 /nfs/dbraw/zinc/37/96/64/270379664.db2.gz VFPCRAUKGIGWCB-AWEZNQCLSA-N 2 0 298.434 2.737 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000516843166 270388630 /nfs/dbraw/zinc/38/86/30/270388630.db2.gz LMAFMYZQSFMNFJ-JKSUJKDBSA-N 2 0 282.472 2.854 20 0 CFADRP c1ccc(C2([NH2+]CCC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000516867597 270389591 /nfs/dbraw/zinc/38/95/91/270389591.db2.gz GMWXIGQVIDZFHO-UHFFFAOYSA-N 2 0 288.435 2.672 20 0 CFADRP CCn1c(C[NH2+]CC[C@H]2CCC[NH2+]C2)nc2ccccc21 ZINC000516914448 270391013 /nfs/dbraw/zinc/39/10/13/270391013.db2.gz PGVSYFDRZNJPCL-CQSZACIVSA-N 2 0 286.423 2.536 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1C ZINC000521645394 270433554 /nfs/dbraw/zinc/43/35/54/270433554.db2.gz GZXZYPSWXXYIRV-CVEARBPZSA-N 2 0 275.440 2.681 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnc(C)c2)CC1 ZINC000527664579 270516691 /nfs/dbraw/zinc/51/66/91/270516691.db2.gz FGASIDARXVAVAR-UHFFFAOYSA-N 2 0 261.413 2.602 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179687 270765816 /nfs/dbraw/zinc/76/58/16/270765816.db2.gz VCWIDOPHGCVZIO-TZMCWYRMSA-N 2 0 264.438 2.943 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CCOCC1 ZINC000531995204 270848475 /nfs/dbraw/zinc/84/84/75/270848475.db2.gz HDPYLRSCXQZEPV-JYJNAYRXSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000113501564 287684679 /nfs/dbraw/zinc/68/46/79/287684679.db2.gz UUDIMNMCPMGPDM-IAGOWNOFSA-N 2 0 295.515 2.913 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423285573 273963570 /nfs/dbraw/zinc/96/35/70/273963570.db2.gz ZPFSBIBMGGJSOW-QMTHXVAHSA-N 2 0 297.240 2.882 20 0 CFADRP CSCCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422750913 274175365 /nfs/dbraw/zinc/17/53/65/274175365.db2.gz DWKVPYKJNBBPBX-UKRRQHHQSA-N 2 0 266.454 2.678 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000422947019 274208752 /nfs/dbraw/zinc/20/87/52/274208752.db2.gz PNDUNMLWORAKMW-GWCFXTLKSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553253 274210653 /nfs/dbraw/zinc/21/06/53/274210653.db2.gz NDBTUEFUCUGWPI-KBPBESRZSA-N 2 0 264.413 2.643 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423254749 274247714 /nfs/dbraw/zinc/24/77/14/274247714.db2.gz ZHZGKBJEMLWFMP-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423130615 274251417 /nfs/dbraw/zinc/25/14/17/274251417.db2.gz GWVFHEXWSSJOTM-XBVQOTNRSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000422772947 274254655 /nfs/dbraw/zinc/25/46/55/274254655.db2.gz ZJCNJYBKKBZGRX-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422991085 274305335 /nfs/dbraw/zinc/30/53/35/274305335.db2.gz PESWRGWRRNFAGT-IDXRPEPOSA-N 2 0 270.420 2.550 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423400829 274377412 /nfs/dbraw/zinc/37/74/12/274377412.db2.gz QKPAECUKKOXWED-ONERCXAPSA-N 2 0 264.800 2.915 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126408625 274412049 /nfs/dbraw/zinc/41/20/49/274412049.db2.gz AVDOAZWLIQMUQL-SJKOYZFVSA-N 2 0 276.399 2.990 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000415015456 274475358 /nfs/dbraw/zinc/47/53/58/274475358.db2.gz ASUKOGPRLKEOBV-QMTHXVAHSA-N 2 0 252.789 2.524 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCS2 ZINC000132074869 274913032 /nfs/dbraw/zinc/91/30/32/274913032.db2.gz QFDLOTSPPBJEIY-RISCZKNCSA-N 2 0 280.412 2.952 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423453218 274944068 /nfs/dbraw/zinc/94/40/68/274944068.db2.gz AJOFUDLLNOTZPB-QDTTVRDOSA-N 2 0 274.383 2.919 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2COc3ccc(Cl)cc32)CC1 ZINC000335227526 274945021 /nfs/dbraw/zinc/94/50/21/274945021.db2.gz LOZUWTASTOPJKH-OVGLSYRBSA-N 2 0 280.799 2.881 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000423284108 274948239 /nfs/dbraw/zinc/94/82/39/274948239.db2.gz XSTHFOYTPTWWOK-XZJROXQQSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000415033102 274949976 /nfs/dbraw/zinc/94/99/76/274949976.db2.gz IKVPVWBVTMAJEF-VCTAVGKDSA-N 2 0 264.800 2.524 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000300535754 275061233 /nfs/dbraw/zinc/06/12/33/275061233.db2.gz NJZKXYZHIFWKOV-RVKKMQEKSA-N 2 0 286.419 2.986 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000300535753 275061516 /nfs/dbraw/zinc/06/15/16/275061516.db2.gz NJZKXYZHIFWKOV-RLFYNMQTSA-N 2 0 286.419 2.986 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](C2CC2)CC1 ZINC000171831580 275071497 /nfs/dbraw/zinc/07/14/97/275071497.db2.gz HJJABFRWWWFFSZ-UHFFFAOYSA-N 2 0 267.376 2.909 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000444610570 275391227 /nfs/dbraw/zinc/39/12/27/275391227.db2.gz PTCSTHPKLFVMOR-IRXDYDNUSA-N 2 0 280.456 2.611 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCCN1C1CC1 ZINC000423074196 275395183 /nfs/dbraw/zinc/39/51/83/275395183.db2.gz KYQBKPVOYNVDHU-XLAORIBOSA-N 2 0 291.483 2.514 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000348109819 275528914 /nfs/dbraw/zinc/52/89/14/275528914.db2.gz ZPCSAICNUFWWIO-USXIJHARSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422815244 275570882 /nfs/dbraw/zinc/57/08/82/275570882.db2.gz BBCQLHNTBXUDJV-FGTMMUONSA-N 2 0 293.499 2.617 20 0 CFADRP C(CN1CCC[C@@H]([NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000161735386 275722893 /nfs/dbraw/zinc/72/28/93/275722893.db2.gz AVOHMDFPDYKGDG-GOSISDBHSA-N 2 0 293.499 2.813 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414877949 275769762 /nfs/dbraw/zinc/76/97/62/275769762.db2.gz GQBAWLMTXKJHHX-AWEZNQCLSA-N 2 0 286.423 2.823 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000335304650 275852997 /nfs/dbraw/zinc/85/29/97/275852997.db2.gz XFLAUPLDOXWNAA-NEPJUHHUSA-N 2 0 260.372 2.790 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000336842347 275941353 /nfs/dbraw/zinc/94/13/53/275941353.db2.gz UKYCJTGNDCGOIY-STQMWFEESA-N 2 0 294.361 2.559 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227329901 276001562 /nfs/dbraw/zinc/00/15/62/276001562.db2.gz WFOUVKAEHFBFJA-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000421821394 276004950 /nfs/dbraw/zinc/00/49/50/276004950.db2.gz REBLIZUBDUSJNA-MRXNPFEDSA-N 2 0 287.451 2.793 20 0 CFADRP CC(C)[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178035311 276015235 /nfs/dbraw/zinc/01/52/35/276015235.db2.gz GSFQVCWTEJDWRP-KFWWJZLASA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221033 276019274 /nfs/dbraw/zinc/01/92/74/276019274.db2.gz ZCIKDJMHLRERIE-IRXDYDNUSA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000090218378 276035725 /nfs/dbraw/zinc/03/57/25/276035725.db2.gz QAOCADCOSPDKIW-NQNKBUKLSA-N 2 0 282.472 2.756 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000345357663 276098001 /nfs/dbraw/zinc/09/80/01/276098001.db2.gz PTEJPOIPYFDKMV-ZNMIVQPWSA-N 2 0 278.444 2.989 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000421374823 276151199 /nfs/dbraw/zinc/15/11/99/276151199.db2.gz HMARORWHEVGAER-CYBMUJFWSA-N 2 0 268.470 2.594 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC[NH2+]CC1 ZINC000423337300 276168568 /nfs/dbraw/zinc/16/85/68/276168568.db2.gz UDWUSZIJDJJRJU-ZIAGYGMSSA-N 2 0 256.409 2.884 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422887761 276196533 /nfs/dbraw/zinc/19/65/33/276196533.db2.gz ZIKWUUVCMNSJIZ-SJORKVTESA-N 3 0 281.488 2.748 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000356605732 276207024 /nfs/dbraw/zinc/20/70/24/276207024.db2.gz HFHYYLWFFDXXRZ-ZNMIVQPWSA-N 2 0 297.487 2.532 20 0 CFADRP CCC(CC)[N@H+](CCOC)CC[C@@H]1CCC[NH+]1C ZINC000120608993 276210664 /nfs/dbraw/zinc/21/06/64/276210664.db2.gz RBPOZBCESJRRLW-HNNXBMFYSA-N 2 0 256.434 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(O)CCC(C)CC2)[C@@H](C)C1 ZINC000305264670 276213671 /nfs/dbraw/zinc/21/36/71/276213671.db2.gz YOCOWVSVAXRJPY-VUROTCPHSA-N 2 0 282.472 2.590 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)[C@@H](C)C1 ZINC000305134754 276216707 /nfs/dbraw/zinc/21/67/07/276216707.db2.gz KRMHOEBUWXQULU-JKSUJKDBSA-N 2 0 282.472 2.639 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3C[C@H]2C)C1 ZINC000246961725 276222246 /nfs/dbraw/zinc/22/22/46/276222246.db2.gz IOYKYADWUXRJES-CKEIUWERSA-N 2 0 258.409 2.851 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@H](C)C1 ZINC000415043638 276229951 /nfs/dbraw/zinc/22/99/51/276229951.db2.gz WHHDASHZTKXCLC-PBHICJAKSA-N 2 0 287.451 2.865 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)[C@@H](C)C1 ZINC000348403363 276316150 /nfs/dbraw/zinc/31/61/50/276316150.db2.gz LRTVQWWBUMIAJS-JJXSEGSLSA-N 2 0 286.435 2.604 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000344030104 276344320 /nfs/dbraw/zinc/34/43/20/276344320.db2.gz YPAPKRLFCVRIJX-IAGOWNOFSA-N 2 0 292.467 2.941 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C12CCCC2 ZINC000085679943 276352528 /nfs/dbraw/zinc/35/25/28/276352528.db2.gz AUEDVUKOZYELIF-BHYGNILZSA-N 2 0 292.467 2.798 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000353929841 276462313 /nfs/dbraw/zinc/46/23/13/276462313.db2.gz NHKOFYHFBZHXOT-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000355122431 276464285 /nfs/dbraw/zinc/46/42/85/276464285.db2.gz JNCUQWLBVIJIBO-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401009912 276469853 /nfs/dbraw/zinc/46/98/53/276469853.db2.gz GLOIQEFTMZSXAT-DGXTUMSLSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000090525536 276583601 /nfs/dbraw/zinc/58/36/01/276583601.db2.gz BXSGPGXNSDCQHY-BBWFWOEESA-N 2 0 282.472 2.779 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccncc1 ZINC000453112903 276584411 /nfs/dbraw/zinc/58/44/11/276584411.db2.gz UAFGRZRYQLVGBZ-INIZCTEOSA-N 2 0 261.413 2.854 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361896663 276758990 /nfs/dbraw/zinc/75/89/90/276758990.db2.gz KWKZSBUNFOBJTD-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000370589283 276785284 /nfs/dbraw/zinc/78/52/84/276785284.db2.gz PIIHBPPGLBZUKK-ZBFHGGJFSA-N 2 0 261.413 2.649 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCc3occc32)CC1 ZINC000187573060 276885587 /nfs/dbraw/zinc/88/55/87/276885587.db2.gz DQRMGYUHNGEVPG-HNNXBMFYSA-N 2 0 262.397 2.979 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000430611511 277026677 /nfs/dbraw/zinc/02/66/77/277026677.db2.gz OFPVNYATAGUCIB-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]Cc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414868938 277034086 /nfs/dbraw/zinc/03/40/86/277034086.db2.gz QJMUKDAIMCMKMW-YESZJQIVSA-N 2 0 273.424 2.739 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2ccncn2)CC1 ZINC000411823939 277043704 /nfs/dbraw/zinc/04/37/04/277043704.db2.gz DXOMGOWKLMUNAL-MRXNPFEDSA-N 2 0 288.439 2.530 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC000339441735 277086197 /nfs/dbraw/zinc/08/61/97/277086197.db2.gz SDPGWQZAJWJCRX-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925236 277151913 /nfs/dbraw/zinc/15/19/13/277151913.db2.gz IEBJPLPDHXPMOD-OAHLLOKOSA-N 2 0 281.488 2.617 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1ccccc1 ZINC000365829641 277162933 /nfs/dbraw/zinc/16/29/33/277162933.db2.gz YCNXQFCVYIURIZ-SQNIBIBYSA-N 2 0 286.419 2.962 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000343993208 277171951 /nfs/dbraw/zinc/17/19/51/277171951.db2.gz RUWJFIYANWAADW-IWCQGFGOSA-N 2 0 286.419 2.625 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340474989 277178135 /nfs/dbraw/zinc/17/81/35/277178135.db2.gz VBJHORITTWPNET-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337988030 277206911 /nfs/dbraw/zinc/20/69/11/277206911.db2.gz IOEKNQPOGWPNIO-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488470223 277244290 /nfs/dbraw/zinc/24/42/90/277244290.db2.gz UUTOSGDJQDRJDB-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000446839055 277248100 /nfs/dbraw/zinc/24/81/00/277248100.db2.gz OSSGHGOMSNWODH-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000157901334 277262022 /nfs/dbraw/zinc/26/20/22/277262022.db2.gz LSYZQMNBWZKFOA-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CCCC1 ZINC000423397534 277262845 /nfs/dbraw/zinc/26/28/45/277262845.db2.gz TVDYUUFWOKQWAB-KRWDZBQOSA-N 2 0 274.408 2.585 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000435881466 277267576 /nfs/dbraw/zinc/26/75/76/277267576.db2.gz BCVGUHHFOGJQCD-SFHVURJKSA-N 2 0 272.436 2.966 20 0 CFADRP C[NH2+]CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423197862 277268406 /nfs/dbraw/zinc/26/84/06/277268406.db2.gz BOWKXPOBRJPLMR-UHFFFAOYSA-N 3 0 289.467 2.629 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423205953 277268711 /nfs/dbraw/zinc/26/87/11/277268711.db2.gz WJNQMAUXMDJAEA-CQSZACIVSA-N 2 0 252.789 2.917 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423201263 277268717 /nfs/dbraw/zinc/26/87/17/277268717.db2.gz OGLQVGDQHGDWPX-NWDGAFQWSA-N 2 0 277.437 2.987 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423200710 277268741 /nfs/dbraw/zinc/26/87/41/277268741.db2.gz MVDUBMZUFRIQEP-OAHLLOKOSA-N 2 0 257.381 2.744 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423279999 277274851 /nfs/dbraw/zinc/27/48/51/277274851.db2.gz UAKWYVIDNAINRT-CHWSQXEVSA-N 2 0 257.381 2.741 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000430971999 277279776 /nfs/dbraw/zinc/27/97/76/277279776.db2.gz QSZFHTMBKKQVFV-JJXSEGSLSA-N 2 0 252.446 2.990 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423140353 277297542 /nfs/dbraw/zinc/29/75/42/277297542.db2.gz XWLGSICKZJKRMG-BZUAXINKSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423176892 277302924 /nfs/dbraw/zinc/30/29/24/277302924.db2.gz GMOZDKUPYFGUGZ-YESZJQIVSA-N 2 0 287.451 2.870 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453412693 277315435 /nfs/dbraw/zinc/31/54/35/277315435.db2.gz WHNRJQDZEITMAO-CWRNSKLLSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)=CCC[C@H](C)CC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361009849 277323757 /nfs/dbraw/zinc/32/37/57/277323757.db2.gz VRTDUYHBHZXWQK-INIZCTEOSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000192609118 277353983 /nfs/dbraw/zinc/35/39/83/277353983.db2.gz IRCPFAIIONUPSO-RDJZCZTQSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732559 277356675 /nfs/dbraw/zinc/35/66/75/277356675.db2.gz PBLLDUDZWJYFPX-WBVHZDCISA-N 2 0 274.408 2.878 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414704506 277356732 /nfs/dbraw/zinc/35/67/32/277356732.db2.gz MJQKZBIZHJXORO-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000449121211 277364043 /nfs/dbraw/zinc/36/40/43/277364043.db2.gz GMMKFCJJJORURF-KSZLIROESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000368516192 277386666 /nfs/dbraw/zinc/38/66/66/277386666.db2.gz BRDVTLGHYSVLNI-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000340541868 277397507 /nfs/dbraw/zinc/39/75/07/277397507.db2.gz LDGFNEWCMVERDY-BRWVUGGUSA-N 2 0 282.472 2.902 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CC2)c1 ZINC000293324914 277455141 /nfs/dbraw/zinc/45/51/41/277455141.db2.gz FSQWTYAUWVJWGK-KDOFPFPSSA-N 2 0 290.451 2.804 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000422942897 277563842 /nfs/dbraw/zinc/56/38/42/277563842.db2.gz KXZBURBHSAXNGF-BXUZGUMPSA-N 2 0 298.814 2.507 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000422936269 277590021 /nfs/dbraw/zinc/59/00/21/277590021.db2.gz LYCZTFNGDCISHX-XHDPSFHLSA-N 2 0 282.815 2.671 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000193007412 277610941 /nfs/dbraw/zinc/61/09/41/277610941.db2.gz SOBNYZQLBZXTTK-SJORKVTESA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[NH2+]C[C@@H]3C)CC2)C1 ZINC000414943574 277724141 /nfs/dbraw/zinc/72/41/41/277724141.db2.gz NWQOZEVMMFENAC-FZCLSBEQSA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423316440 277759425 /nfs/dbraw/zinc/75/94/25/277759425.db2.gz AUFMFCAWZOWRRN-OAHLLOKOSA-N 2 0 279.403 2.897 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])c2ccccc2O1 ZINC000423160848 277986009 /nfs/dbraw/zinc/98/60/09/277986009.db2.gz QXTDEHVGMZURST-AYRXBEOTSA-N 2 0 260.381 2.616 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360240258 278002057 /nfs/dbraw/zinc/00/20/57/278002057.db2.gz DQEXJYRBSBARNN-YYIAUSFCSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCC(O)CC2)C1 ZINC000353444460 278002534 /nfs/dbraw/zinc/00/25/34/278002534.db2.gz UVRCMHFIRGNLLS-RYTJFDOTSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246801467 278002572 /nfs/dbraw/zinc/00/25/72/278002572.db2.gz ACDZZCIGLYUFTE-XDNAFOTISA-N 3 0 295.515 2.817 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000334268354 278010760 /nfs/dbraw/zinc/01/07/60/278010760.db2.gz ONPGARNGPVWPSU-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)[C@@H](C)O1 ZINC000449202682 278027123 /nfs/dbraw/zinc/02/71/23/278027123.db2.gz IYTOLFGCBQMALY-HSMVNMDESA-N 2 0 280.387 2.543 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000414840808 278031850 /nfs/dbraw/zinc/03/18/50/278031850.db2.gz NMKWHQVIRUXPJR-GOEBONIOSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000347154779 278033806 /nfs/dbraw/zinc/03/38/06/278033806.db2.gz BVXKNKNYURTYMY-HYVNUMGLSA-N 2 0 273.424 2.949 20 0 CFADRP CSC1(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CCC1 ZINC000356101194 278122372 /nfs/dbraw/zinc/12/23/72/278122372.db2.gz PYARCXWWZMIVFD-CYBMUJFWSA-N 2 0 256.459 2.546 20 0 CFADRP CSCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487339 278129019 /nfs/dbraw/zinc/12/90/19/278129019.db2.gz GXVYEWUDEVBUPE-DZGCQCFKSA-N 2 0 268.470 2.688 20 0 CFADRP CSCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246487350 278129095 /nfs/dbraw/zinc/12/90/95/278129095.db2.gz GXVYEWUDEVBUPE-ZFWWWQNUSA-N 2 0 268.470 2.688 20 0 CFADRP CSCc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000423057063 278140878 /nfs/dbraw/zinc/14/08/78/278140878.db2.gz GSCFGHCYHJZAOX-GFCCVEGCSA-N 2 0 252.427 2.767 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000425351610 278147181 /nfs/dbraw/zinc/14/71/81/278147181.db2.gz MDHWPILUJXELRN-QLFBSQMISA-N 2 0 270.486 2.838 20 0 CFADRP CC(C[NH+]1C[C@H](C)[C@H](C)C1)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464831147 278156697 /nfs/dbraw/zinc/15/66/97/278156697.db2.gz JOEJYUAIHBFJHT-GEEKYZPCSA-N 2 0 252.446 2.798 20 0 CFADRP CC/C=C/CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000373347423 278164343 /nfs/dbraw/zinc/16/43/43/278164343.db2.gz LSLOXKVVMNMXMH-FWLOBVJOSA-N 2 0 266.429 2.526 20 0 CFADRP C[C@H](CC[NH3+])[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414884893 278172370 /nfs/dbraw/zinc/17/23/70/278172370.db2.gz BOBCWIZFSJHNKC-MNOVXSKESA-N 2 0 285.229 2.707 20 0 CFADRP CC1(C)CC([NH2+]C2CCSCC2)CC(C)(C)[NH2+]1 ZINC000035120766 278190988 /nfs/dbraw/zinc/19/09/88/278190988.db2.gz CFSZBBNTXOYUTN-UHFFFAOYSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCNc1ccccn1 ZINC000422834814 278218168 /nfs/dbraw/zinc/21/81/68/278218168.db2.gz OHBMEZNKGHKMRP-HZPDHXFCSA-N 2 0 290.455 2.784 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347061919 278225383 /nfs/dbraw/zinc/22/53/83/278225383.db2.gz ZFKUSJYVAPKYKK-YJBOKZPZSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000423428564 278227510 /nfs/dbraw/zinc/22/75/10/278227510.db2.gz JLKPANWWWUQCMH-MAUKXSAKSA-N 2 0 298.434 2.868 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000423363817 278227539 /nfs/dbraw/zinc/22/75/39/278227539.db2.gz BWGLDMPWPZQECU-KSSFIOAISA-N 2 0 285.435 2.947 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000430575843 278231319 /nfs/dbraw/zinc/23/13/19/278231319.db2.gz ANZVLVNWAISBAK-GJZGRUSLSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000335441499 278232498 /nfs/dbraw/zinc/23/24/98/278232498.db2.gz CJTXFXXJNQYEFD-YVEFUNNKSA-N 2 0 295.386 2.532 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000423290680 278232507 /nfs/dbraw/zinc/23/25/07/278232507.db2.gz FAWUMQPTDBGZOT-DXEWXGHRSA-N 2 0 288.435 3.000 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000128638252 278257435 /nfs/dbraw/zinc/25/74/35/278257435.db2.gz LAWGRTHKEAJNKZ-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000187307548 278264948 /nfs/dbraw/zinc/26/49/48/278264948.db2.gz XIHPCANEWVVFCP-HYVNUMGLSA-N 2 0 292.467 2.893 20 0 CFADRP CC1(C)CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000364853711 278266259 /nfs/dbraw/zinc/26/62/59/278266259.db2.gz GFQDCJOUPBKURG-HUUCEWRRSA-N 2 0 250.430 2.983 20 0 CFADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000420363207 278333818 /nfs/dbraw/zinc/33/38/18/278333818.db2.gz BJPUYECPPWSOMU-NWDGAFQWSA-N 2 0 278.362 2.896 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341172013 278336443 /nfs/dbraw/zinc/33/64/43/278336443.db2.gz CYBMMASJUOLQNU-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CC1(C)C ZINC000487190348 278341714 /nfs/dbraw/zinc/34/17/14/278341714.db2.gz UPCUONIQPXOGPX-DOMZBBRYSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1COc2ccccc21 ZINC000420403200 278343086 /nfs/dbraw/zinc/34/30/86/278343086.db2.gz KUIOYZLKTQZMAC-CZUORRHYSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423102881 278343210 /nfs/dbraw/zinc/34/32/10/278343210.db2.gz AGDBBTXLEWLKPZ-KQTLUZQSSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423102879 278343349 /nfs/dbraw/zinc/34/33/49/278343349.db2.gz AGDBBTXLEWLKPZ-IXYNUQLISA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000247002966 278343507 /nfs/dbraw/zinc/34/35/07/278343507.db2.gz KSMJQTQVKPOFDJ-HUUCEWRRSA-N 2 0 278.444 2.583 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000414701346 278369454 /nfs/dbraw/zinc/36/94/54/278369454.db2.gz VUBUZVMINHYMHQ-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000451156306 278389208 /nfs/dbraw/zinc/38/92/08/278389208.db2.gz SMHCKJIOPGDZNW-IETPZCKNSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417401168 278465035 /nfs/dbraw/zinc/46/50/35/278465035.db2.gz LCMLIXPMACEOIU-SIXLDLHFSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423096264 288049401 /nfs/dbraw/zinc/04/94/01/288049401.db2.gz OLFUXFZPABTJGK-SQNIBIBYSA-N 2 0 293.499 2.904 20 0 CFADRP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000423419729 288050094 /nfs/dbraw/zinc/05/00/94/288050094.db2.gz IZSWTLYAXXLVHF-HOTGVXAUSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423021466 278518866 /nfs/dbraw/zinc/51/88/66/278518866.db2.gz FEQHQNDAYZGFNK-QPSCCSFWSA-N 2 0 268.445 2.830 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422891548 278640957 /nfs/dbraw/zinc/64/09/57/278640957.db2.gz VUECQXSWTWBIPO-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCOC1 ZINC000423514407 288063421 /nfs/dbraw/zinc/06/34/21/288063421.db2.gz WMALPSRGYXKUJA-IKGGRYGDSA-N 2 0 276.424 2.871 20 0 CFADRP CCC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401026240 278652201 /nfs/dbraw/zinc/65/22/01/278652201.db2.gz NRVRYGXTINXLAN-BEBHXBEKSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000423394775 288070456 /nfs/dbraw/zinc/07/04/56/288070456.db2.gz SIDSKWSFYNMRTJ-YUELXQCFSA-N 2 0 292.423 2.885 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414704508 278769090 /nfs/dbraw/zinc/76/90/90/278769090.db2.gz MJQKZBIZHJXORO-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422818973 278870064 /nfs/dbraw/zinc/87/00/64/278870064.db2.gz LVRVVIQQCMWKTP-ZWKOTPCHSA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000422766630 278928495 /nfs/dbraw/zinc/92/84/95/278928495.db2.gz MABLNYCPXPNPJH-BFHYXJOUSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@@H]1[N@H+](CCC[NH+]2CCCCC2)CCC12CCOCC2 ZINC000364599086 279024972 /nfs/dbraw/zinc/02/49/72/279024972.db2.gz LAZOKLDTKRENJN-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000423039195 279059961 /nfs/dbraw/zinc/05/99/61/279059961.db2.gz DWBGZKCQFCUPJS-FPCVCCKLSA-N 2 0 268.445 2.558 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451829235 279092861 /nfs/dbraw/zinc/09/28/61/279092861.db2.gz ARDXBDDAEFNUTD-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000337168874 279094968 /nfs/dbraw/zinc/09/49/68/279094968.db2.gz BVEDRGITPJRRRL-DLBZAZTESA-N 2 0 295.515 2.769 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338016628 279109292 /nfs/dbraw/zinc/10/92/92/279109292.db2.gz ULRKNVYSUXNNLE-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1c2ccccc2CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420298856 279133987 /nfs/dbraw/zinc/13/39/87/279133987.db2.gz ICTCFANQHPIDLX-HUUCEWRRSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430760355 288107319 /nfs/dbraw/zinc/10/73/19/288107319.db2.gz IRQMRSTWNDAFPI-FVCCEPFGSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423139563 279162965 /nfs/dbraw/zinc/16/29/65/279162965.db2.gz VMBSKNAACYDURL-QZWWFDLISA-N 2 0 258.409 2.897 20 0 CFADRP CC(C)C[C@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415031010 279163327 /nfs/dbraw/zinc/16/33/27/279163327.db2.gz DKAPKHVVSILUDJ-QZTJIDSGSA-N 2 0 290.451 2.784 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423312965 279290044 /nfs/dbraw/zinc/29/00/44/279290044.db2.gz VWHBELZOSTVQRT-ABAIWWIYSA-N 2 0 257.381 2.730 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N(C)c1ccccc1 ZINC000156130728 279353273 /nfs/dbraw/zinc/35/32/73/279353273.db2.gz YKZIRCJKNAPMQB-OAGGEKHMSA-N 2 0 275.440 2.584 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449131075 279362556 /nfs/dbraw/zinc/36/25/56/279362556.db2.gz JXHDPRCUIMHCDI-IAGOWNOFSA-N 2 0 293.499 2.572 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000248508722 279369238 /nfs/dbraw/zinc/36/92/38/279369238.db2.gz YHBFNPVUGVJWQR-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422824728 279370239 /nfs/dbraw/zinc/37/02/39/279370239.db2.gz OFTRJRKJJJFOMI-ARFHVFGLSA-N 2 0 277.456 2.612 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C1CCOCC1 ZINC000261570322 279372353 /nfs/dbraw/zinc/37/23/53/279372353.db2.gz ONYBAPVFFAGBJW-IIAWOOMASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000158605028 279380369 /nfs/dbraw/zinc/38/03/69/279380369.db2.gz PPCNSCDNDMDISJ-CYBMUJFWSA-N 2 0 264.388 2.688 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422914271 279384319 /nfs/dbraw/zinc/38/43/19/279384319.db2.gz SOLFYZDHGQXVMI-CRAIPNDOSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347498019 279386973 /nfs/dbraw/zinc/38/69/73/279386973.db2.gz ZUSLVZNKFVBYHA-PMPSAXMXSA-N 2 0 290.455 2.514 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423234509 279400429 /nfs/dbraw/zinc/40/04/29/279400429.db2.gz PTOFOGIMCYOUML-CABZTGNLSA-N 2 0 254.374 2.690 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+](CC3(C)CCC3)CC2)CC1 ZINC000432774478 279480045 /nfs/dbraw/zinc/48/00/45/279480045.db2.gz PHZHDTHYUAHCCM-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422811716 279496417 /nfs/dbraw/zinc/49/64/17/279496417.db2.gz WJIWBKKKTAQVOI-UWVGGRQHSA-N 2 0 272.314 2.964 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000451458733 279510532 /nfs/dbraw/zinc/51/05/32/279510532.db2.gz PEPIJTUNRQBQGV-QGZVFWFLSA-N 2 0 293.499 2.715 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000422793402 279624219 /nfs/dbraw/zinc/62/42/19/279624219.db2.gz SBVFXEKGFUDMAY-UHFFFAOYSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423122818 279642496 /nfs/dbraw/zinc/64/24/96/279642496.db2.gz DEJUHCHMPDCPPC-FRRDWIJNSA-N 2 0 260.372 2.919 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000354669114 279750808 /nfs/dbraw/zinc/75/08/08/279750808.db2.gz KAGAGPRWLNSBGW-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000344028512 279812685 /nfs/dbraw/zinc/81/26/85/279812685.db2.gz WCEZNPHJMZLPFT-HZPDHXFCSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000191853454 280010609 /nfs/dbraw/zinc/01/06/09/280010609.db2.gz XHYJOHWVNWTNOY-OWLYRPNTSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540423 280024490 /nfs/dbraw/zinc/02/44/90/280024490.db2.gz QGQJIZKCCHCLRA-YVEFUNNKSA-N 2 0 274.383 2.958 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422924505 280083833 /nfs/dbraw/zinc/08/38/33/280083833.db2.gz YRNBTWABYMHORV-WCVJEAGWSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCS1 ZINC000122108245 280156877 /nfs/dbraw/zinc/15/68/77/280156877.db2.gz AGLSUZSUSKANBC-MRXNPFEDSA-N 2 0 291.464 2.926 20 0 CFADRP C[C@]1(C[NH2+]C2CCc3ccccc3CC2)CCC[NH2+]C1 ZINC000423335511 280157407 /nfs/dbraw/zinc/15/74/07/280157407.db2.gz IZJZYAKHAFXPAD-SFHVURJKSA-N 2 0 272.436 2.913 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCO[C@@H]1C1CC1 ZINC000423054568 280159071 /nfs/dbraw/zinc/15/90/71/280159071.db2.gz UZDLUYPAULEZDI-BSDSXHPESA-N 2 0 286.419 2.926 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423315794 280159769 /nfs/dbraw/zinc/15/97/69/280159769.db2.gz AKVDGEAMCJJXGX-HOTGVXAUSA-N 2 0 262.372 2.792 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCOC1 ZINC000124347160 280184567 /nfs/dbraw/zinc/18/45/67/280184567.db2.gz NDYUTOWIEMDPFD-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422885298 280186451 /nfs/dbraw/zinc/18/64/51/280186451.db2.gz UBKUNOYAUHGPQV-SJORKVTESA-N 3 0 281.488 2.619 20 0 CFADRP CC(C)[C@H](C)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)C(C)C)COC1 ZINC000360009247 280209929 /nfs/dbraw/zinc/20/99/29/280209929.db2.gz BKXWFJZTKNKJNC-HOTGVXAUSA-N 2 0 284.488 2.956 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423082921 280269856 /nfs/dbraw/zinc/26/98/56/280269856.db2.gz FFROCWQVWUURJU-ZFWWWQNUSA-N 2 0 271.408 2.704 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423394454 280270441 /nfs/dbraw/zinc/27/04/41/280270441.db2.gz ZSCHNQPYWARYPT-OIISXLGYSA-N 2 0 260.425 2.984 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422909662 280278167 /nfs/dbraw/zinc/27/81/67/280278167.db2.gz ONUQWDOTDVSRRI-RBSFLKMASA-N 2 0 269.477 2.602 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414785319 280286157 /nfs/dbraw/zinc/28/61/57/280286157.db2.gz SMEAEQXLNCCNPW-BRWVUGGUSA-N 2 0 294.483 2.890 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423176032 280321402 /nfs/dbraw/zinc/32/14/02/280321402.db2.gz BORXVQWNSOKGNO-HNNXBMFYSA-N 2 0 289.379 2.572 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000359299017 280333117 /nfs/dbraw/zinc/33/31/17/280333117.db2.gz ZTDAKBADZJNVRX-ZACQAIPSSA-N 2 0 273.424 2.995 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000353279223 280426552 /nfs/dbraw/zinc/42/65/52/280426552.db2.gz QXQXSIUZHXWBER-GVDBMIGSSA-N 2 0 292.467 2.677 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422965099 533691499 /nfs/dbraw/zinc/69/14/99/533691499.db2.gz NSJBDCKFYPFTKP-HSBZDZAISA-N 2 0 250.386 2.708 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000093213383 280574878 /nfs/dbraw/zinc/57/48/78/280574878.db2.gz YEFXOQATQAZUMX-RSJDFQLWSA-N 2 0 264.335 2.967 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000121182943 280620853 /nfs/dbraw/zinc/62/08/53/280620853.db2.gz NGJQKYOFJBSYKW-ZWKOTPCHSA-N 2 0 295.515 2.985 20 0 CFADRP FCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121681505 280623569 /nfs/dbraw/zinc/62/35/69/280623569.db2.gz MGOBWOYFTXWCCY-UHFFFAOYSA-N 2 0 256.409 2.934 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000124013389 280637347 /nfs/dbraw/zinc/63/73/47/280637347.db2.gz MTHDUHBZPVCGOH-OAHLLOKOSA-N 2 0 262.397 2.979 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422884223 280838731 /nfs/dbraw/zinc/83/87/31/280838731.db2.gz DOLJYNNKKLTZSO-UXLLHSPISA-N 2 0 260.425 2.965 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000185877920 280840625 /nfs/dbraw/zinc/84/06/25/280840625.db2.gz NTZSUOFCFYQYKP-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CCC1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186601457 280849289 /nfs/dbraw/zinc/84/92/89/280849289.db2.gz TZGBTMPVXGKNHT-KLAILNCOSA-N 2 0 281.488 2.571 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248056087 281017565 /nfs/dbraw/zinc/01/75/65/281017565.db2.gz XMKKKHUULDTNEA-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000248172154 281018566 /nfs/dbraw/zinc/01/85/66/281018566.db2.gz UZFZBNPQQFPOQB-JTNHKYCSSA-N 2 0 281.469 2.621 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248484539 281023569 /nfs/dbraw/zinc/02/35/69/281023569.db2.gz DKALVCSVXRWNHX-MHDGFBEUSA-N 2 0 281.469 2.873 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423138065 281025904 /nfs/dbraw/zinc/02/59/04/281025904.db2.gz RXKLTLFGNMZSPZ-LVQVYYBASA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000248764387 281034103 /nfs/dbraw/zinc/03/41/03/281034103.db2.gz ZZKJEPFTHYFISJ-FICVDOATSA-N 2 0 282.472 2.588 20 0 CFADRP c1cnc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000248782145 281034999 /nfs/dbraw/zinc/03/49/99/281034999.db2.gz XFPAKYAJLLSZAC-IRXDYDNUSA-N 2 0 281.403 2.951 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])CC3 ZINC000415008373 281036677 /nfs/dbraw/zinc/03/66/77/281036677.db2.gz DVMUXJIRSFLXHD-JHJVBQTASA-N 2 0 271.408 2.659 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000248831322 281036691 /nfs/dbraw/zinc/03/66/91/281036691.db2.gz HMETXVCNPAFSIX-BHYGNILZSA-N 2 0 276.424 2.837 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250603340 281070107 /nfs/dbraw/zinc/07/01/07/281070107.db2.gz UGODYUURMNRUON-GVDBMIGSSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000251616919 281073231 /nfs/dbraw/zinc/07/32/31/281073231.db2.gz CJEVHLFWXNBLND-FJIDUMEYSA-N 2 0 295.515 2.673 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252644149 281076664 /nfs/dbraw/zinc/07/66/64/281076664.db2.gz NLGGMWQEVGFEGP-HLLBOEOZSA-N 2 0 290.451 2.864 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252861280 281078140 /nfs/dbraw/zinc/07/81/40/281078140.db2.gz NJUKWZOSXFHDFQ-XIRDDKMYSA-N 2 0 258.409 2.863 20 0 CFADRP Brc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000259084883 281111634 /nfs/dbraw/zinc/11/16/34/281111634.db2.gz TVBXIJRAQBWDAG-NSHDSACASA-N 2 0 283.213 2.538 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1Cl ZINC000294908899 281140350 /nfs/dbraw/zinc/14/03/50/281140350.db2.gz GBKYPGBJYGJEHI-TZMCWYRMSA-N 2 0 296.842 2.963 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cc2)n1 ZINC000335779870 281160412 /nfs/dbraw/zinc/16/04/12/281160412.db2.gz YZOXRMOCMAYQMU-ACJLOTCBSA-N 2 0 298.434 2.658 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000395781881 281196053 /nfs/dbraw/zinc/19/60/53/281196053.db2.gz ZWIXFJIPTOXETL-HNNXBMFYSA-N 2 0 291.439 2.711 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1COC(C)(C)C1)C1CCCCC1 ZINC000396808072 281197997 /nfs/dbraw/zinc/19/79/97/281197997.db2.gz MZZYYQOVGQJAGO-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H](C)CC(F)(F)F)CC1 ZINC000396947340 281199347 /nfs/dbraw/zinc/19/93/47/281199347.db2.gz LOXRFWMAQWDDQY-JTQLQIEISA-N 2 0 252.324 2.649 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420371112 281219530 /nfs/dbraw/zinc/21/95/30/281219530.db2.gz KHHCLXUMICTSNM-CVEARBPZSA-N 2 0 268.445 2.515 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000420372082 281220082 /nfs/dbraw/zinc/22/00/82/281220082.db2.gz XXRGUQHVEKUZQE-KRWDZBQOSA-N 2 0 290.451 2.614 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422927796 281222500 /nfs/dbraw/zinc/22/25/00/281222500.db2.gz HEGWLAJLWFWOKP-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422927799 281222650 /nfs/dbraw/zinc/22/26/50/281222650.db2.gz HEGWLAJLWFWOKP-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000423009598 281223315 /nfs/dbraw/zinc/22/33/15/281223315.db2.gz VWMQYKKXPYBFIR-WHOFXGATSA-N 2 0 250.386 2.639 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(-n2cccn2)cc1 ZINC000424374762 281227389 /nfs/dbraw/zinc/22/73/89/281227389.db2.gz LQKAMLMUBZMYSK-IAOVAPTHSA-N 2 0 284.407 2.793 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414677749 281249440 /nfs/dbraw/zinc/24/94/40/281249440.db2.gz JNKCZYXUBKPEDZ-HOTGVXAUSA-N 2 0 276.424 2.694 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@@H]1SC ZINC000459391979 281261336 /nfs/dbraw/zinc/26/13/36/281261336.db2.gz KUXMYRYGKZRQOW-XHSDSOJGSA-N 2 0 298.496 2.502 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422959585 281270720 /nfs/dbraw/zinc/27/07/20/281270720.db2.gz STRSBRIVXOYDPG-VBQJREDUSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@@H](C)O)C2)s1 ZINC000514942381 281289089 /nfs/dbraw/zinc/28/90/89/281289089.db2.gz YKCBZENZWVQKIX-UKRRQHHQSA-N 2 0 296.480 2.581 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cc2)n1 ZINC000515068609 281290580 /nfs/dbraw/zinc/29/05/80/281290580.db2.gz KXRFGGKAMHHKFJ-PBHICJAKSA-N 2 0 298.434 2.801 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423068984 281292361 /nfs/dbraw/zinc/29/23/61/281292361.db2.gz LBXXSRSCMNNHHP-AEGPPILISA-N 2 0 260.381 2.536 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000515828696 281298295 /nfs/dbraw/zinc/29/82/95/281298295.db2.gz ZLRDYDIRQASIMV-CYBMUJFWSA-N 2 0 252.377 2.734 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000516423676 281303625 /nfs/dbraw/zinc/30/36/25/281303625.db2.gz LPZQLZRVTCXBPK-XSLAGTTESA-N 2 0 287.451 2.587 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000520197381 281309501 /nfs/dbraw/zinc/30/95/01/281309501.db2.gz MOVPTZQSLFODGJ-CABCVRRESA-N 2 0 288.435 2.832 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000527361184 281330231 /nfs/dbraw/zinc/33/02/31/281330231.db2.gz QNCHBQOFHZUCHW-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527669820 281339788 /nfs/dbraw/zinc/33/97/88/281339788.db2.gz JCMRKLHLOBFBLE-YDMUCJKGSA-N 2 0 250.430 2.883 20 0 CFADRP Cc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000527682580 281341959 /nfs/dbraw/zinc/34/19/59/281341959.db2.gz GITZUOPYXRXLOP-UHFFFAOYSA-N 2 0 296.418 2.791 20 0 CFADRP COc1ccc([C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C2CC2)cn1 ZINC000528851814 281354159 /nfs/dbraw/zinc/35/41/59/281354159.db2.gz MDDZKOBLZLMTBM-NVXWUHKLSA-N 2 0 289.423 2.615 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH+]2C[C@@H](C)[C@H](C)C2)C[C@@H]1C ZINC000536541883 281520795 /nfs/dbraw/zinc/52/07/95/281520795.db2.gz VLELAWRDDRJBAU-RUPPMWDTSA-N 2 0 252.446 2.942 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000541550202 281605754 /nfs/dbraw/zinc/60/57/54/281605754.db2.gz USJGUARPJILDDD-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCOCC1 ZINC000544897962 281675529 /nfs/dbraw/zinc/67/55/29/281675529.db2.gz OCZLXQIMMHKBPJ-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C12CCC2 ZINC000560288102 282020397 /nfs/dbraw/zinc/02/03/97/282020397.db2.gz TUXFEKMFZSUUNJ-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000359326403 282024984 /nfs/dbraw/zinc/02/49/84/282024984.db2.gz FPHHEALMMKQVAW-LSDHHAIUSA-N 2 0 297.487 2.534 20 0 CFADRP CCc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000560888568 282043535 /nfs/dbraw/zinc/04/35/35/282043535.db2.gz PGPPLNMOAFLSKJ-UHFFFAOYSA-N 2 0 290.455 2.591 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423480979 282044306 /nfs/dbraw/zinc/04/43/06/282044306.db2.gz WKRSXTIQZBVVIJ-YNEHKIRRSA-N 2 0 279.453 2.936 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000331364426 282044871 /nfs/dbraw/zinc/04/48/71/282044871.db2.gz BVEFBJPCROONGQ-NQBHXWOUSA-N 2 0 265.426 2.546 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000157258082 282045188 /nfs/dbraw/zinc/04/51/88/282045188.db2.gz YGZMPWFTYKYVLL-DLBZAZTESA-N 2 0 287.451 2.985 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421348610 282051420 /nfs/dbraw/zinc/05/14/20/282051420.db2.gz WLOMJYHHMMFXIB-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])c[nH]c21 ZINC000422912592 288582266 /nfs/dbraw/zinc/58/22/66/288582266.db2.gz NMCZPIWGTGKASL-WMLDXEAASA-N 2 0 285.435 2.990 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000414824752 533692336 /nfs/dbraw/zinc/69/23/36/533692336.db2.gz BDJQOXRCSQIRHI-LBPRGKRZSA-N 2 0 252.789 2.738 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000093451153 289059641 /nfs/dbraw/zinc/05/96/41/289059641.db2.gz TXQOVTXZSKAIIF-IXDOHACOSA-N 2 0 293.499 2.761 20 0 CFADRP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000157258229 289062236 /nfs/dbraw/zinc/06/22/36/289062236.db2.gz YGZMPWFTYKYVLL-IRXDYDNUSA-N 2 0 287.451 2.985 20 0 CFADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000230146489 289206261 /nfs/dbraw/zinc/20/62/61/289206261.db2.gz RXOUFIDTQYOLIQ-DQPZFDDXSA-N 2 0 284.488 2.741 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374384458 289308724 /nfs/dbraw/zinc/30/87/24/289308724.db2.gz IAYLRYQXSGOONB-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000364964096 289308861 /nfs/dbraw/zinc/30/88/61/289308861.db2.gz UREARVCNCSGTSO-VUROTCPHSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2[C@H]1CCC(C)(C)C1 ZINC000368630120 289323416 /nfs/dbraw/zinc/32/34/16/289323416.db2.gz CQTNLQZBPKTXOT-QXSJWSMHSA-N 2 0 280.456 2.749 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000336837959 289460357 /nfs/dbraw/zinc/46/03/57/289460357.db2.gz MHIHYJHEBWGFSF-CABCVRRESA-N 2 0 279.428 2.524 20 0 CFADRP Cn1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000158445155 289975852 /nfs/dbraw/zinc/97/58/52/289975852.db2.gz VWLRSANHBZCZMV-UHFFFAOYSA-N 2 0 275.440 2.912 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000305766849 290009923 /nfs/dbraw/zinc/00/99/23/290009923.db2.gz GZMMICWUXQVSJB-KURKYZTESA-N 2 0 294.483 2.779 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699557 290018082 /nfs/dbraw/zinc/01/80/82/290018082.db2.gz CISDZOYYRVNYSW-UONOGXRCSA-N 2 0 297.240 2.851 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000562389284 290039820 /nfs/dbraw/zinc/03/98/20/290039820.db2.gz IZEBZBHPYXFOHK-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000562499096 290048592 /nfs/dbraw/zinc/04/85/92/290048592.db2.gz XRYXYWMOWHEZKT-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP CS[C@@H]1CC[NH+]([C@@H](C)CC[N@H+]2CC[C@@H](SC)C2)C1 ZINC000562548216 290054203 /nfs/dbraw/zinc/05/42/03/290054203.db2.gz OWOQGBVLGZDBGM-BFHYXJOUSA-N 2 0 288.526 2.640 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000562652316 290062784 /nfs/dbraw/zinc/06/27/84/290062784.db2.gz VZKMMXXSSHHHKF-MIFYACCESA-N 2 0 280.456 2.939 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000562681951 290066409 /nfs/dbraw/zinc/06/64/09/290066409.db2.gz KJIKRQJUIFQRDB-XIRDDKMYSA-N 2 0 258.409 2.722 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000563135361 290107795 /nfs/dbraw/zinc/10/77/95/290107795.db2.gz LEGGDXLFVUJHKT-GOSISDBHSA-N 2 0 288.435 2.921 20 0 CFADRP CC(C)CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563268295 290126517 /nfs/dbraw/zinc/12/65/17/290126517.db2.gz IBQIVJZTODMQBK-GOSISDBHSA-N 2 0 288.435 2.579 20 0 CFADRP [NH3+]CC12CCC(CC1)CN2CCCCC1CCOCC1 ZINC000563420922 290147923 /nfs/dbraw/zinc/14/79/23/290147923.db2.gz CTWRYBXBNABZIC-UHFFFAOYSA-N 2 0 280.456 2.787 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000563427600 290149825 /nfs/dbraw/zinc/14/98/25/290149825.db2.gz YNJKSYQHNHYIIZ-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000563442431 290152550 /nfs/dbraw/zinc/15/25/50/290152550.db2.gz ITQCQJZVTSGVHX-BBWFWOEESA-N 2 0 292.467 2.677 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000563528232 290157876 /nfs/dbraw/zinc/15/78/76/290157876.db2.gz NBOOBLZXOTXJIO-UMVBOHGHSA-N 2 0 287.407 2.567 20 0 CFADRP Cc1cccc2oc(CC[NH2+]C3CCC(C[NH3+])CC3)nc21 ZINC000563616014 290163860 /nfs/dbraw/zinc/16/38/60/290163860.db2.gz DLSPDBJEFZLEPC-UHFFFAOYSA-N 2 0 287.407 2.786 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CCN1CCOc1ccc(Cl)c(F)c1 ZINC000563630699 290165158 /nfs/dbraw/zinc/16/51/58/290165158.db2.gz WIILVGGHGPYJFZ-QWRGUYRKSA-N 2 0 286.778 2.670 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000563700749 290169437 /nfs/dbraw/zinc/16/94/37/290169437.db2.gz LZMPNQUFGKGEMH-ZBFHGGJFSA-N 2 0 271.408 2.818 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000563701990 290169468 /nfs/dbraw/zinc/16/94/68/290169468.db2.gz ZMLSWTHXYQMTTA-VZAMPYOESA-N 2 0 259.397 2.688 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000563734575 290171610 /nfs/dbraw/zinc/17/16/10/290171610.db2.gz WNHMODBZWMUFCW-NEPJUHHUSA-N 2 0 267.442 2.669 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000564202388 290196238 /nfs/dbraw/zinc/19/62/38/290196238.db2.gz HDRJXJSNSZCURY-SFHVURJKSA-N 2 0 290.451 2.779 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000564426124 290208318 /nfs/dbraw/zinc/20/83/18/290208318.db2.gz CMZFZADQTZMDNU-NUJGCVRESA-N 2 0 288.435 2.756 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000367602626 290214615 /nfs/dbraw/zinc/21/46/15/290214615.db2.gz VCMMCENFHZXQHY-YESZJQIVSA-N 2 0 293.499 2.712 20 0 CFADRP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353603141 290219965 /nfs/dbraw/zinc/21/99/65/290219965.db2.gz GAJLIMOCMCSMJD-QZWWFDLISA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cccc(C)n2)C[C@H]1C ZINC000564653048 290221330 /nfs/dbraw/zinc/22/13/30/290221330.db2.gz MKSGGHMOKSWKBP-WBVHZDCISA-N 2 0 275.440 2.737 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000564713465 290226183 /nfs/dbraw/zinc/22/61/83/290226183.db2.gz LHZDPMRMSJAHTI-YPMHNXCESA-N 2 0 265.426 2.628 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000564797917 290233078 /nfs/dbraw/zinc/23/30/78/290233078.db2.gz DTNGWRCOIXIVFA-VHSXEESVSA-N 2 0 250.317 2.787 20 0 CFADRP C[C@@H](CCC1CCCC1)[NH2+]CCOCC[NH+](C)C ZINC000564812367 290234735 /nfs/dbraw/zinc/23/47/35/290234735.db2.gz KWKIGFWXHIKKDE-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000564821990 290235919 /nfs/dbraw/zinc/23/59/19/290235919.db2.gz BFGJPIGIXVVGFU-ZDUSSCGKSA-N 2 0 280.412 2.662 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000564822384 290236252 /nfs/dbraw/zinc/23/62/52/290236252.db2.gz KCZZKDUVZTYMLS-INIZCTEOSA-N 2 0 278.465 2.995 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000564824771 290237462 /nfs/dbraw/zinc/23/74/62/290237462.db2.gz YQVZZQWYTQEHJK-ROUUACIJSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000565227267 290285771 /nfs/dbraw/zinc/28/57/71/290285771.db2.gz UCHKSWLCGDAFMC-HOTGVXAUSA-N 2 0 276.424 2.932 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000565357446 290296616 /nfs/dbraw/zinc/29/66/16/290296616.db2.gz XYAPAPZOXIPGHJ-UONOGXRCSA-N 2 0 262.397 2.654 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]1 ZINC000565371321 290298250 /nfs/dbraw/zinc/29/82/50/290298250.db2.gz FMOUIQHAQWUMAY-CABCVRRESA-N 2 0 257.381 2.836 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000565430117 290301190 /nfs/dbraw/zinc/30/11/90/290301190.db2.gz CEUPZNFKEXNVBT-VVLHAWIVSA-N 2 0 281.488 2.604 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000565435155 290301681 /nfs/dbraw/zinc/30/16/81/290301681.db2.gz YQEFMTSRCXUCCG-STQMWFEESA-N 2 0 282.815 2.751 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000565534044 290307643 /nfs/dbraw/zinc/30/76/43/290307643.db2.gz ZPDIEKSXGCEZLU-FGTMMUONSA-N 2 0 287.451 2.833 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000565594505 290311658 /nfs/dbraw/zinc/31/16/58/290311658.db2.gz WNODJVIWEUVJLG-KRWDZBQOSA-N 2 0 284.488 2.885 20 0 CFADRP Cc1nc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)[nH]c1C ZINC000565670971 290317585 /nfs/dbraw/zinc/31/75/85/290317585.db2.gz MGOXASCKUQXJAA-KBPBESRZSA-N 2 0 292.471 2.874 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)Cc2ccccc2)CC1 ZINC000566044426 290342733 /nfs/dbraw/zinc/34/27/33/290342733.db2.gz JOMRIXRNEQBSRA-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1 ZINC000566088932 290346956 /nfs/dbraw/zinc/34/69/56/290346956.db2.gz NQSHZBRUCUVHCG-ZDUSSCGKSA-N 2 0 262.397 2.654 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566092462 290347572 /nfs/dbraw/zinc/34/75/72/290347572.db2.gz QFNQMLWAAFTLTQ-VBNZEHGJSA-N 2 0 262.397 2.578 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CC1(O)CCC1 ZINC000566105793 290348289 /nfs/dbraw/zinc/34/82/89/290348289.db2.gz WVYKXLWEBMHWLT-UHFFFAOYSA-N 2 0 276.424 2.531 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000566170749 290355819 /nfs/dbraw/zinc/35/58/19/290355819.db2.gz UCNMHOJTLLFLKI-QFBILLFUSA-N 2 0 299.462 2.881 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230409 290360730 /nfs/dbraw/zinc/36/07/30/290360730.db2.gz OUEXPDXQXAQYAM-OKZBNKHCSA-N 2 0 270.420 2.866 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000234750632 292805785 /nfs/dbraw/zinc/80/57/85/292805785.db2.gz PUYQJLOMWNHBFP-GDBMZVCRSA-N 2 0 294.439 2.878 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1COC(C)(C)C1 ZINC000417862492 290386299 /nfs/dbraw/zinc/38/62/99/290386299.db2.gz CPDSYLOBGWJSGL-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000566480925 290392538 /nfs/dbraw/zinc/39/25/38/290392538.db2.gz CLKSTOLTJUGFHM-CVEARBPZSA-N 2 0 276.424 2.876 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000566790443 290417600 /nfs/dbraw/zinc/41/76/00/290417600.db2.gz BBVAUANZUIWIAI-UHFFFAOYSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000567462473 290465084 /nfs/dbraw/zinc/46/50/84/290465084.db2.gz ARRYBIGBEOEMAL-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000567627474 290478946 /nfs/dbraw/zinc/47/89/46/290478946.db2.gz SEWDBUBPGRRMBL-RYUDHWBXSA-N 2 0 281.469 2.843 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000567890761 290502845 /nfs/dbraw/zinc/50/28/45/290502845.db2.gz KSUCAULMAFNKND-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1O ZINC000567894737 290503403 /nfs/dbraw/zinc/50/34/03/290503403.db2.gz RHUZVWUCFXRLPN-LBPRGKRZSA-N 2 0 286.375 2.710 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1SC ZINC000423094856 293097121 /nfs/dbraw/zinc/09/71/21/293097121.db2.gz CVMWMDVDHKCAHB-STQMWFEESA-N 2 0 282.453 2.813 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000183184631 293157191 /nfs/dbraw/zinc/15/71/91/293157191.db2.gz JHFBTENVUTVEFA-UXLLHSPISA-N 2 0 282.472 2.900 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000248398734 293157855 /nfs/dbraw/zinc/15/78/55/293157855.db2.gz JHFBTENVUTVEFA-ZOBUZTSGSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423480513 293437995 /nfs/dbraw/zinc/43/79/95/293437995.db2.gz NJYCOGNDQPWTAO-CHWSQXEVSA-N 2 0 279.453 2.951 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3(C)CC[NH+](C)CC3)C[C@H]2C1 ZINC000424279526 294677833 /nfs/dbraw/zinc/67/78/33/294677833.db2.gz KGGPSSRYQAXITM-PLAPLOCASA-N 2 0 280.456 2.512 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000415012564 295138153 /nfs/dbraw/zinc/13/81/53/295138153.db2.gz JJXFEMFNBXNNAV-ZIAGYGMSSA-N 2 0 294.439 2.742 20 0 CFADRP [NH3+]CCC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000423190776 295231749 /nfs/dbraw/zinc/23/17/49/295231749.db2.gz OHRHEALZPUSXOF-HNNXBMFYSA-N 2 0 250.361 2.995 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C)CC2)cc1 ZINC000420309906 295241142 /nfs/dbraw/zinc/24/11/42/295241142.db2.gz UJHZAIWVZAYVJI-GDBMZVCRSA-N 2 0 276.424 2.860 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423044874 295258454 /nfs/dbraw/zinc/25/84/54/295258454.db2.gz BYZMFYDQQYWNME-DAYGRLMNSA-N 2 0 288.435 2.832 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000415040236 295259394 /nfs/dbraw/zinc/25/93/94/295259394.db2.gz OSQWCYIEISCDIV-RHYQMDGZSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000089150616 295270853 /nfs/dbraw/zinc/27/08/53/295270853.db2.gz YKFYSRMGJKGVDE-YPMHNXCESA-N 2 0 272.314 2.922 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH3+])CCCS2 ZINC000423310426 295271674 /nfs/dbraw/zinc/27/16/74/295271674.db2.gz RUBUPFMLNXFMFR-RISCZKNCSA-N 2 0 280.437 2.807 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000334614739 295300587 /nfs/dbraw/zinc/30/05/87/295300587.db2.gz DNXZVVLGBXMFSE-KIDURHIOSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423098368 295307394 /nfs/dbraw/zinc/30/73/94/295307394.db2.gz KRNQQSLDHRIZDF-CVEARBPZSA-N 2 0 279.472 2.502 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086402214 295313705 /nfs/dbraw/zinc/31/37/05/295313705.db2.gz PCMVEXLSLLHCOE-OLZOCXBDSA-N 2 0 283.213 2.809 20 0 CFADRP CSC1(C[NH2+]C[C@H](C)C[NH+]2CCCC2)CCC1 ZINC000336679504 295581809 /nfs/dbraw/zinc/58/18/09/295581809.db2.gz ASJPFIGEBLDWNG-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423382090 297108185 /nfs/dbraw/zinc/10/81/85/297108185.db2.gz DFRQVSNNXPOKNA-UHOFOFEASA-N 2 0 276.449 2.605 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000449090390 298792757 /nfs/dbraw/zinc/79/27/57/298792757.db2.gz NQMYIFATWBMMGX-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)c2sccc21 ZINC000453222067 300041636 /nfs/dbraw/zinc/04/16/36/300041636.db2.gz OLGSSQZVGYFGIK-GXTWGEPZSA-N 2 0 282.453 2.854 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000335004443 300324356 /nfs/dbraw/zinc/32/43/56/300324356.db2.gz CMLPANYNXCOWBL-GUYCJALGSA-N 2 0 258.409 2.522 20 0 CFADRP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc[nH+]1 ZINC000488723681 301339067 /nfs/dbraw/zinc/33/90/67/301339067.db2.gz RBRKBHZCOOMMAO-DVOMOZLQSA-N 2 0 259.397 2.557 20 0 CFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC[C@H](C)[NH3+])CCCO2 ZINC000423228380 301447653 /nfs/dbraw/zinc/44/76/53/301447653.db2.gz ZKLDZIAVXHSWQD-DZGCQCFKSA-N 2 0 262.397 2.844 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000415106680 302094252 /nfs/dbraw/zinc/09/42/52/302094252.db2.gz NCZONJSSRQEVJJ-HNNXBMFYSA-N 2 0 258.409 2.758 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353407859 302295407 /nfs/dbraw/zinc/29/54/07/302295407.db2.gz SNZGREQYFBODPB-NFOMZHRRSA-N 2 0 261.413 2.913 20 0 CFADRP FC(F)(F)CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000133781745 303112831 /nfs/dbraw/zinc/11/28/31/303112831.db2.gz QWPIXHFTGFPSJM-MNOVXSKESA-N 2 0 250.308 2.545 20 0 CFADRP FCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000423146627 303127610 /nfs/dbraw/zinc/12/76/10/303127610.db2.gz AZXOUUPTVWJMRL-ARFHVFGLSA-N 2 0 298.446 2.653 20 0 CFADRP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423192291 303128363 /nfs/dbraw/zinc/12/83/63/303128363.db2.gz UKMQMXNXEHNINV-NJVJYBDUSA-N 2 0 254.393 2.777 20 0 CFADRP Fc1cncc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423542807 303137731 /nfs/dbraw/zinc/13/77/31/303137731.db2.gz UHKCXTXMZVGHMF-INIZCTEOSA-N 2 0 275.371 2.571 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCSC2)C2CC3CC(C2)CC1C3 ZINC000335071699 303359805 /nfs/dbraw/zinc/35/98/05/303359805.db2.gz XCWMXNDOXZCXRO-CGAUPDFVSA-N 2 0 280.481 2.625 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H]1CCF ZINC000423458006 303365464 /nfs/dbraw/zinc/36/54/64/303365464.db2.gz JKNUBANWQQXZOY-PTPCRWCASA-N 2 0 254.393 2.620 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000422884953 303371047 /nfs/dbraw/zinc/37/10/47/303371047.db2.gz GDWPCOSCBWWVDF-SHARSMKWSA-N 2 0 274.408 2.660 20 0 CFADRP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1CCSC1 ZINC000352534916 303377256 /nfs/dbraw/zinc/37/72/56/303377256.db2.gz KORDTNCSDFOLQE-CQSZACIVSA-N 2 0 256.459 2.581 20 0 CFADRP [NH3+]CCC[N@H+](CCC(F)(F)F)CC1CCCC1 ZINC000352503962 303377413 /nfs/dbraw/zinc/37/74/13/303377413.db2.gz LSXXJLDVMROCEK-UHFFFAOYSA-N 2 0 252.324 2.780 20 0 CFADRP [NH3+]CCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000414695363 303379738 /nfs/dbraw/zinc/37/97/38/303379738.db2.gz AJFYCLSHYOTVQB-UHFFFAOYSA-N 2 0 283.213 2.767 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422807422 303406675 /nfs/dbraw/zinc/40/66/75/303406675.db2.gz OVPBWOOVRZKKMO-ZOBUZTSGSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000333276293 303466020 /nfs/dbraw/zinc/46/60/20/303466020.db2.gz LMSXYCHKZUKKCO-WWGRRREGSA-N 2 0 259.397 2.793 20 0 CFADRP c1ccc(CC[C@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415066506 304854151 /nfs/dbraw/zinc/85/41/51/304854151.db2.gz SZUMOQKKTIXVIL-SFFUCWETSA-N 2 0 270.420 2.595 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000414810373 533699633 /nfs/dbraw/zinc/69/96/33/533699633.db2.gz VHHORRUGDBNWQB-OCCSQVGLSA-N 2 0 282.815 2.956 20 0 CFADRP COc1ccc(CN(C)CC[C@H]2CCC[N@@H+]2C)cc1C ZINC000161632198 322355015 /nfs/dbraw/zinc/35/50/15/322355015.db2.gz YKGWIVYAYVMHIF-MRXNPFEDSA-N 2 0 276.424 2.920 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000162525326 322366088 /nfs/dbraw/zinc/36/60/88/322366088.db2.gz GVUKIXKJXXHITP-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000569711520 322492139 /nfs/dbraw/zinc/49/21/39/322492139.db2.gz HAFKTFKLFKQYKH-HNNXBMFYSA-N 2 0 250.361 2.791 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000571037769 322565899 /nfs/dbraw/zinc/56/58/99/322565899.db2.gz SYDAARBYPRCAQK-INIZCTEOSA-N 2 0 290.407 2.514 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000571451120 322583916 /nfs/dbraw/zinc/58/39/16/322583916.db2.gz YUASSVFEGZXXGG-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000572951337 322637989 /nfs/dbraw/zinc/63/79/89/322637989.db2.gz DZLLDQWJWCNCHH-YSVLISHTSA-N 2 0 290.476 2.995 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)n1 ZINC000574307891 322688514 /nfs/dbraw/zinc/68/85/14/322688514.db2.gz CBQLGHBBMPZXQX-WUCCLRPBSA-N 2 0 292.427 2.654 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000574981330 322713348 /nfs/dbraw/zinc/71/33/48/322713348.db2.gz XIIXVXFQMWYKQB-NSHDSACASA-N 2 0 272.339 2.548 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)C1(C)C ZINC000181823355 323828824 /nfs/dbraw/zinc/82/88/24/323828824.db2.gz XNNOJKDIRRZREW-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1nccn1C ZINC000182961456 323890576 /nfs/dbraw/zinc/89/05/76/323890576.db2.gz AIROKPJHIHUXIS-HNNXBMFYSA-N 2 0 278.444 2.727 20 0 CFADRP COC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188351160 324013712 /nfs/dbraw/zinc/01/37/12/324013712.db2.gz CPQXKBFUSJBNQT-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191896038 324055207 /nfs/dbraw/zinc/05/52/07/324055207.db2.gz YYBUMRKUVRAIBL-INIZCTEOSA-N 2 0 270.461 2.591 20 0 CFADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000194855992 324096294 /nfs/dbraw/zinc/09/62/94/324096294.db2.gz WDNWPSNQDQJQLX-KRWDZBQOSA-N 2 0 298.471 2.630 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CC1 ZINC000211946147 324110202 /nfs/dbraw/zinc/11/02/02/324110202.db2.gz JREJDSBGDIUXEJ-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000388841265 324512382 /nfs/dbraw/zinc/51/23/82/324512382.db2.gz DJPFCSLNIWENJY-WCVJEAGWSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000576411499 324614226 /nfs/dbraw/zinc/61/42/26/324614226.db2.gz FYFYFBOLIAFJGB-KBPBESRZSA-N 2 0 271.408 2.846 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000577347623 324725418 /nfs/dbraw/zinc/72/54/18/324725418.db2.gz YECNRZZBPGOLEK-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578668381 324877715 /nfs/dbraw/zinc/87/77/15/324877715.db2.gz AHIGKPDOYLEICW-GOEBONIOSA-N 2 0 279.472 2.643 20 0 CFADRP CC1(C)Cc2occc2[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000578994646 324909346 /nfs/dbraw/zinc/90/93/46/324909346.db2.gz DZRRPDNQCYSIOC-CQSZACIVSA-N 2 0 262.397 2.882 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000579606454 324965746 /nfs/dbraw/zinc/96/57/46/324965746.db2.gz POWCXTWMTXFSDQ-UBHSHLNASA-N 2 0 295.452 2.602 20 0 CFADRP CCC1(C[NH2+]C[C@H](C)O)CC[NH+](Cc2ccccc2)CC1 ZINC000580064352 325002874 /nfs/dbraw/zinc/00/28/74/325002874.db2.gz ZCFIDFJCTRNNKA-INIZCTEOSA-N 2 0 290.451 2.649 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C1 ZINC000580094951 325007569 /nfs/dbraw/zinc/00/75/69/325007569.db2.gz CJCRYHWDIGJQHR-CABCVRRESA-N 2 0 271.408 2.960 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cncc(F)c1 ZINC000580551918 325045341 /nfs/dbraw/zinc/04/53/41/325045341.db2.gz AVPQAKOJDPOZES-NSHDSACASA-N 2 0 259.328 2.530 20 0 CFADRP Cc1nc(C2([NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)CCCCC2)no1 ZINC000581238625 325102809 /nfs/dbraw/zinc/10/28/09/325102809.db2.gz YHUCVNHTVLDRMF-TZMCWYRMSA-N 2 0 292.427 2.515 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN(C)Cc1ccc(C(C)C)cc1 ZINC000581259108 325105323 /nfs/dbraw/zinc/10/53/23/325105323.db2.gz YKJRYHORDQNANT-KRWDZBQOSA-N 2 0 278.440 2.554 20 0 CFADRP CC[NH2+]CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000581304503 325108891 /nfs/dbraw/zinc/10/88/91/325108891.db2.gz HDTSNHPQLYYPCL-UHFFFAOYSA-N 2 0 268.445 2.846 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581535971 325129359 /nfs/dbraw/zinc/12/93/59/325129359.db2.gz DYRAXDOVRHYPDG-YCPHGPKFSA-N 2 0 276.424 2.691 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000581720259 325145365 /nfs/dbraw/zinc/14/53/65/325145365.db2.gz BDIOBKOEAUSUNW-HZPDHXFCSA-N 2 0 276.424 2.822 20 0 CFADRP C1=C[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000581829924 325151397 /nfs/dbraw/zinc/15/13/97/325151397.db2.gz PFENHCHQELDPLA-SFHVURJKSA-N 2 0 292.467 2.920 20 0 CFADRP COc1ccc2oc(CN(C)CCC[NH+](C)C)cc2c1 ZINC000582030281 325170589 /nfs/dbraw/zinc/17/05/89/325170589.db2.gz LKFKLJFSYWMWLP-UHFFFAOYSA-N 2 0 276.380 2.825 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000582311273 325195422 /nfs/dbraw/zinc/19/54/22/325195422.db2.gz HZZBGYLKYLEQTG-JKSUJKDBSA-N 2 0 275.440 2.891 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1 ZINC000582546463 325213721 /nfs/dbraw/zinc/21/37/21/325213721.db2.gz SVALLDUFDPBILH-SNPRPXQTSA-N 2 0 278.827 2.985 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000582573368 325215941 /nfs/dbraw/zinc/21/59/41/325215941.db2.gz LJTVLKYANCHZEA-OAHLLOKOSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000582573367 325216213 /nfs/dbraw/zinc/21/62/13/325216213.db2.gz LJTVLKYANCHZEA-HNNXBMFYSA-N 2 0 281.488 2.569 20 0 CFADRP [NH3+]C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000582713266 325227917 /nfs/dbraw/zinc/22/79/17/325227917.db2.gz MDKVWZCKKKTGDD-ZWKOTPCHSA-N 2 0 283.419 2.571 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000582735701 325230360 /nfs/dbraw/zinc/23/03/60/325230360.db2.gz KVNBUEYQZHEGGA-JUVOFCAFSA-N 2 0 258.409 2.966 20 0 CFADRP CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000582952060 325247654 /nfs/dbraw/zinc/24/76/54/325247654.db2.gz IKDUWWHPLWCOFL-VXGBXAGGSA-N 2 0 252.427 2.788 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000583032569 325254641 /nfs/dbraw/zinc/25/46/41/325254641.db2.gz OERZYEBHRGDJPP-NJAFHUGGSA-N 2 0 290.451 2.567 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000583124430 325261621 /nfs/dbraw/zinc/26/16/21/325261621.db2.gz SSFIQYREFYKMNQ-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)C1CCSCC1 ZINC000583145197 325264107 /nfs/dbraw/zinc/26/41/07/325264107.db2.gz AATVAQIIECDMMU-GFCCVEGCSA-N 2 0 264.438 2.767 20 0 CFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000583263824 325272850 /nfs/dbraw/zinc/27/28/50/325272850.db2.gz VJKYOXWPJDDLGO-DLBZAZTESA-N 2 0 258.409 2.995 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cncnc2C)CC1 ZINC000583822309 325313182 /nfs/dbraw/zinc/31/31/82/325313182.db2.gz HUXBFNYZIVMJGA-CYBMUJFWSA-N 2 0 276.428 2.558 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000584002094 325324087 /nfs/dbraw/zinc/32/40/87/325324087.db2.gz LWDKJFAWKWUCHX-YPMHNXCESA-N 2 0 284.350 2.642 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000584004815 325324538 /nfs/dbraw/zinc/32/45/38/325324538.db2.gz WFXGLKICSVKFNH-XDQVBPFNSA-N 2 0 256.459 2.910 20 0 CFADRP Cc1cnc(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000584170001 325335283 /nfs/dbraw/zinc/33/52/83/325335283.db2.gz VDYWDUOASPKPCB-MRXNPFEDSA-N 2 0 275.440 2.657 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000584237760 325340179 /nfs/dbraw/zinc/34/01/79/325340179.db2.gz NBCGBSFYFCJGBG-YESZJQIVSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H]1CC[NH2+]C[C@H]1NCc1cc2c(s1)CCCC2 ZINC000584285570 325343491 /nfs/dbraw/zinc/34/34/91/325343491.db2.gz KJJWSFBPKAUVIZ-SMDDNHRTSA-N 2 0 264.438 2.715 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422704967 533709411 /nfs/dbraw/zinc/70/94/11/533709411.db2.gz AZZNHKSYVXLFNM-SQPSOYEMSA-N 2 0 260.381 2.629 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000423322337 533709658 /nfs/dbraw/zinc/70/96/58/533709658.db2.gz GYGFOWFVIOZRSE-CZUORRHYSA-N 2 0 262.397 2.736 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1cc(C[NH2+]C)ncn1 ZINC001243340860 782145971 /nfs/dbraw/zinc/14/59/71/782145971.db2.gz YUZVTDIHEUCHEY-UHFFFAOYSA-N 2 0 284.407 2.705 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423178234 533754532 /nfs/dbraw/zinc/75/45/32/533754532.db2.gz IDQOSZGTAJGQBM-IKICRFKJSA-N 2 0 288.435 2.919 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423181666 533755353 /nfs/dbraw/zinc/75/53/53/533755353.db2.gz LIUFFMGEPALVKE-MXSMSXNCSA-N 2 0 288.435 2.906 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423176220 533755375 /nfs/dbraw/zinc/75/53/75/533755375.db2.gz FSEJIHYHCYVDGH-YQFWSFKMSA-N 2 0 274.408 2.516 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423176219 533756934 /nfs/dbraw/zinc/75/69/34/533756934.db2.gz FSEJIHYHCYVDGH-OTRWWLKZSA-N 2 0 274.408 2.516 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1Cl ZINC000423134960 533769816 /nfs/dbraw/zinc/76/98/16/533769816.db2.gz NDWBZLASUJXVQF-SWLSCSKDSA-N 2 0 296.842 2.869 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000423126107 533770072 /nfs/dbraw/zinc/77/00/72/533770072.db2.gz AQVCCDWLGMBCLL-OCCSQVGLSA-N 2 0 282.815 2.608 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414876929 533770337 /nfs/dbraw/zinc/77/03/37/533770337.db2.gz LZAPBGYQURBTMZ-WDEREUQCSA-N 2 0 285.229 2.737 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414874053 533771540 /nfs/dbraw/zinc/77/15/40/533771540.db2.gz HXISQMOWSSVWCA-QMMMGPOBSA-N 2 0 264.266 2.529 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422711114 533776978 /nfs/dbraw/zinc/77/69/78/533776978.db2.gz MXDQTYPXZQPPCQ-GZBFAFLISA-N 2 0 262.397 2.734 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422725362 533784093 /nfs/dbraw/zinc/78/40/93/533784093.db2.gz BEHBRKGQXNMEEC-NUEKZKHPSA-N 2 0 275.440 2.585 20 0 CFADRP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000414860412 533789624 /nfs/dbraw/zinc/78/96/24/533789624.db2.gz VHGIEUKCXYHUAS-QDQAJNKBSA-N 2 0 280.362 2.956 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422894413 533791633 /nfs/dbraw/zinc/79/16/33/533791633.db2.gz CBSBGWIPGUFJJZ-UONOGXRCSA-N 2 0 282.815 2.887 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538882 533813899 /nfs/dbraw/zinc/81/38/99/533813899.db2.gz NZIJTJCMIROHAL-SNVBAGLBSA-N 2 0 250.308 2.617 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000423003102 533827874 /nfs/dbraw/zinc/82/78/74/533827874.db2.gz GXQWAGLYUFJQHS-YXQSOJMXSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000422813313 533845216 /nfs/dbraw/zinc/84/52/16/533845216.db2.gz XUHVDYUXFAHCDT-SECBINFHSA-N 2 0 295.374 2.812 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1cccc(F)c1 ZINC000422902431 533845602 /nfs/dbraw/zinc/84/56/02/533845602.db2.gz DDOAASMKNVIYGT-CYBMUJFWSA-N 2 0 252.377 2.865 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422884758 533846838 /nfs/dbraw/zinc/84/68/38/533846838.db2.gz XJUOOUOEJOHPLI-CYBMUJFWSA-N 2 0 273.380 2.949 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000422765772 533850286 /nfs/dbraw/zinc/85/02/86/533850286.db2.gz REXULBNFDOWVKP-NEPJUHHUSA-N 2 0 286.366 2.839 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414805844 533861378 /nfs/dbraw/zinc/86/13/78/533861378.db2.gz YUVLQDYNRMRBLZ-MFKMUULPSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423256995 533865901 /nfs/dbraw/zinc/86/59/01/533865901.db2.gz GZJQNLFSQHMMEE-JKSUJKDBSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422757287 533867896 /nfs/dbraw/zinc/86/78/96/533867896.db2.gz IPXRJDDQURZWAK-GFCCVEGCSA-N 2 0 252.377 2.820 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCSc1ccccc1 ZINC000422750405 533867943 /nfs/dbraw/zinc/86/79/43/533867943.db2.gz DCOLKRXQKQCGKZ-CYBMUJFWSA-N 2 0 252.427 2.886 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1cccc2ccccc21 ZINC000422934560 533867978 /nfs/dbraw/zinc/86/79/78/533867978.db2.gz COHMYZMNKZNBRS-CQSZACIVSA-N 2 0 272.392 2.936 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422781942 533872362 /nfs/dbraw/zinc/87/23/62/533872362.db2.gz FRECVSBWGKNXNP-MRXNPFEDSA-N 3 0 289.467 2.890 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1 ZINC000422790977 533869615 /nfs/dbraw/zinc/86/96/15/533869615.db2.gz CPAIBFGYFBQQLV-VXGBXAGGSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(F)cc2cccnc21 ZINC000415025758 533870009 /nfs/dbraw/zinc/87/00/09/533870009.db2.gz RNMQGYANTGWPLK-LLVKDONJSA-N 2 0 261.344 2.591 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422730344 533870180 /nfs/dbraw/zinc/87/01/80/533870180.db2.gz JQJZFYAREAYSHU-ZIAGYGMSSA-N 2 0 281.469 2.602 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422812985 533884231 /nfs/dbraw/zinc/88/42/31/533884231.db2.gz YTYGJQKMNTWDBE-JLJPHGGASA-N 2 0 258.409 2.837 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422770791 533882368 /nfs/dbraw/zinc/88/23/68/533882368.db2.gz XGWFLSZAKRDJNS-AJNGGQMLSA-N 2 0 268.445 2.558 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1C ZINC000414808673 533905071 /nfs/dbraw/zinc/90/50/71/533905071.db2.gz SMSCTKKYZAGDBM-CABCVRRESA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414855368 533923132 /nfs/dbraw/zinc/92/31/32/533923132.db2.gz MYVVXSJRBJFMBK-JSGCOSHPSA-N 2 0 298.377 2.808 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414903472 533950919 /nfs/dbraw/zinc/95/09/19/533950919.db2.gz MBVWTAOFGWZYPR-JZLODUJNSA-N 2 0 274.408 2.688 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823112 533952892 /nfs/dbraw/zinc/95/28/92/533952892.db2.gz AYNOOWTURDKXBG-UVMHCMFPSA-N 2 0 274.408 2.686 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903787 533959596 /nfs/dbraw/zinc/95/95/96/533959596.db2.gz MESACMRTLNRXDO-ALCCZGGFSA-N 2 0 274.408 2.688 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422770429 533960305 /nfs/dbraw/zinc/96/03/05/533960305.db2.gz WPUGEFBZZDMGJQ-FQUUOJAGSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422773316 533982586 /nfs/dbraw/zinc/98/25/86/533982586.db2.gz YFSXUORXTVVQOS-YSVLISHTSA-N 2 0 258.409 2.595 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000425344004 533992994 /nfs/dbraw/zinc/99/29/94/533992994.db2.gz INORYCUZJIIHOD-XQQFMLRXSA-N 2 0 258.475 2.836 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(-c2ccccc2)nn1C ZINC000423493506 534012167 /nfs/dbraw/zinc/01/21/67/534012167.db2.gz BQMMRHRTGFKYFY-DZKIICNBSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000414875569 534048051 /nfs/dbraw/zinc/04/80/51/534048051.db2.gz JXTLJUSMBXHFSZ-MRVPVSSYSA-N 2 0 264.266 2.529 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000414831844 534055134 /nfs/dbraw/zinc/05/51/34/534055134.db2.gz QANBMTNMOGRHSP-AEZOWIDVSA-N 2 0 262.372 2.802 20 0 CFADRP C[C@@H](C[NH2+]CC1([NH3+])CCC1)c1cccc(Cl)c1 ZINC000414884088 534056690 /nfs/dbraw/zinc/05/66/90/534056690.db2.gz VLYODOVUASGPSS-NSHDSACASA-N 2 0 252.789 2.915 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000422801994 534066856 /nfs/dbraw/zinc/06/68/56/534066856.db2.gz GLWBGVCLTBOWRB-WBVHZDCISA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422728681 534070671 /nfs/dbraw/zinc/07/06/71/534070671.db2.gz GNLRDZNXNDVHBJ-IUODEOHRSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772537 534072905 /nfs/dbraw/zinc/07/29/05/534072905.db2.gz ZGZISQNSIKMFAX-MLGOLLRUSA-N 2 0 289.398 2.827 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735962 534082365 /nfs/dbraw/zinc/08/23/65/534082365.db2.gz FQEORINNARBTKR-YWPYICTPSA-N 2 0 250.361 2.659 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC000414696226 534085307 /nfs/dbraw/zinc/08/53/07/534085307.db2.gz BHHUKDYVCPEICT-STQMWFEESA-N 2 0 262.372 2.793 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423320642 534086981 /nfs/dbraw/zinc/08/69/81/534086981.db2.gz FTKOGLVMXBGXHY-COXVUDFISA-N 2 0 258.409 2.899 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422957761 534116069 /nfs/dbraw/zinc/11/60/69/534116069.db2.gz NWWZZJDWPVTONY-DXLGVHFASA-N 2 0 256.393 2.793 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423324379 534129116 /nfs/dbraw/zinc/12/91/16/534129116.db2.gz PGMXVFXNRFTKAS-IAGOWNOFSA-N 2 0 260.425 2.889 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422873953 534147107 /nfs/dbraw/zinc/14/71/07/534147107.db2.gz MRECJAWGYKZHFF-BPLDGKMQSA-N 2 0 294.464 2.559 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCC[NH3+] ZINC000414898806 534148609 /nfs/dbraw/zinc/14/86/09/534148609.db2.gz FBLRUEKTYDRUGR-LBPRGKRZSA-N 2 0 297.830 2.694 20 0 CFADRP C[C@]1(C[NH2+]CCCCOc2ccccc2)CCC[NH2+]C1 ZINC000414917398 534176428 /nfs/dbraw/zinc/17/64/28/534176428.db2.gz ROSUSESSBHZCOK-QGZVFWFLSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@]1(C[NH2+]Cc2cc(F)cc3cccnc32)CCC[NH2+]C1 ZINC000414903156 534176470 /nfs/dbraw/zinc/17/64/70/534176470.db2.gz LNCQQEMCSZMDSR-KRWDZBQOSA-N 2 0 287.382 2.853 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423098605 534179987 /nfs/dbraw/zinc/17/99/87/534179987.db2.gz SMJQPQTUXKBJOY-NWANDNLSSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000414845216 534186488 /nfs/dbraw/zinc/18/64/88/534186488.db2.gz LVROFZRJSGIVTN-IKGGRYGDSA-N 2 0 258.409 2.838 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])co2)cc1 ZINC000422878208 534213832 /nfs/dbraw/zinc/21/38/32/534213832.db2.gz JLQJHZNRUXOWEY-WBVHZDCISA-N 2 0 299.418 2.910 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]C[C@H](C)C[NH3+])s2)cc1 ZINC000414874063 534217442 /nfs/dbraw/zinc/21/74/42/534217442.db2.gz HYSJIPDIJAWBBP-GFCCVEGCSA-N 2 0 275.421 2.803 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]C[C@@H](C)C[NH3+])s2)cc1 ZINC000414874064 534218126 /nfs/dbraw/zinc/21/81/26/534218126.db2.gz HYSJIPDIJAWBBP-LBPRGKRZSA-N 2 0 275.421 2.803 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423118293 518179565 /nfs/dbraw/zinc/17/95/65/518179565.db2.gz ZVYQLTVUCYWRHY-JHJVBQTASA-N 2 0 260.372 2.790 20 0 CFADRP C(C[NH+]1CCCC1)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000161525294 518385207 /nfs/dbraw/zinc/38/52/07/518385207.db2.gz TYEUGOHFPUJNQM-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP CC(C)(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300715845 518956406 /nfs/dbraw/zinc/95/64/06/518956406.db2.gz LDOKANLVLLIKPZ-ZNMIVQPWSA-N 2 0 262.397 2.518 20 0 CFADRP FC(F)(F)[C@H](C[NH2+]C1CC[NH2+]CC1)Cc1ccccc1 ZINC000423124606 534410895 /nfs/dbraw/zinc/41/08/95/534410895.db2.gz OUQFEYPOXSUIAD-ZDUSSCGKSA-N 2 0 286.341 2.749 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423105624 534423380 /nfs/dbraw/zinc/42/33/80/534423380.db2.gz ZAGGAQGIEVRZBP-RFQIPJPRSA-N 2 0 272.383 2.932 20 0 CFADRP CC(C)=CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306114 519427788 /nfs/dbraw/zinc/42/77/88/519427788.db2.gz KXGOPJKAMYHPJC-IYBDPMFKSA-N 2 0 280.456 2.774 20 0 CFADRP CC(C)CCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000364852864 519641366 /nfs/dbraw/zinc/64/13/66/519641366.db2.gz ITGHBKIDXZCFHM-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000085401311 519760401 /nfs/dbraw/zinc/76/04/01/519760401.db2.gz UBLMRHMWNNDPEF-HZPDHXFCSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000079652211 519794886 /nfs/dbraw/zinc/79/48/86/519794886.db2.gz DMAOOHLFORWARC-QGZVFWFLSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCC(O)CC1)[NH+]1CCCCCC1 ZINC000353439845 519815978 /nfs/dbraw/zinc/81/59/78/519815978.db2.gz JTJRIWHBOSJGCN-JCYILVPMSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000084987797 519816250 /nfs/dbraw/zinc/81/62/50/519816250.db2.gz PIGPEXWPGOFIMJ-XDNAFOTISA-N 2 0 295.515 2.673 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](CCCC(C)C)CC2)CC1 ZINC000364854009 519857547 /nfs/dbraw/zinc/85/75/47/519857547.db2.gz NGTYJXSJDFMWPJ-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000364948014 519862514 /nfs/dbraw/zinc/86/25/14/519862514.db2.gz BUJLHORARMPOKH-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000414843499 534461411 /nfs/dbraw/zinc/46/14/11/534461411.db2.gz PZDLDYXPJZMYTF-CXLRFSCWSA-N 2 0 280.362 2.957 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000182442517 520248655 /nfs/dbraw/zinc/24/86/55/520248655.db2.gz ZRSWXXHAMDSDPM-SFHVURJKSA-N 2 0 290.451 2.867 20 0 CFADRP CC1(C)C(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000156146977 520251016 /nfs/dbraw/zinc/25/10/16/520251016.db2.gz YWXBTTYGKSAWII-QWHCGFSZSA-N 2 0 250.430 2.885 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000052920438 520347131 /nfs/dbraw/zinc/34/71/31/520347131.db2.gz ORDQNHFPHVWGBQ-OAHLLOKOSA-N 2 0 262.397 2.646 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000052920440 520347850 /nfs/dbraw/zinc/34/78/50/520347850.db2.gz ORDQNHFPHVWGBQ-HNNXBMFYSA-N 2 0 262.397 2.646 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC2CCOCC2)CC1 ZINC000339868288 520399741 /nfs/dbraw/zinc/39/97/41/520399741.db2.gz VYAXGVTVYLVECK-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CCO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000193427098 520521586 /nfs/dbraw/zinc/52/15/86/520521586.db2.gz ORNWHJZUMSPWQC-HQSKLWIPSA-N 2 0 288.435 2.979 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000085380555 520574262 /nfs/dbraw/zinc/57/42/62/520574262.db2.gz VCBYCCIIACCMKX-GJZGRUSLSA-N 2 0 268.445 2.652 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)ccc2O1 ZINC000334771091 520579709 /nfs/dbraw/zinc/57/97/09/520579709.db2.gz PFTNDTNVVMXEGD-CQSZACIVSA-N 2 0 274.408 2.571 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(CC)(CC)C[NH3+] ZINC000236748359 520579733 /nfs/dbraw/zinc/57/97/33/520579733.db2.gz BBIBZHVCAVFEQU-OAHLLOKOSA-N 2 0 297.487 2.522 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCS2 ZINC000423250975 534502942 /nfs/dbraw/zinc/50/29/42/534502942.db2.gz RHOYCQMSXXNTDW-FZMZJTMJSA-N 2 0 280.412 2.952 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000361173704 520585376 /nfs/dbraw/zinc/58/53/76/520585376.db2.gz LISZHYPNBBKNMM-GVDBMIGSSA-N 2 0 281.488 2.713 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340717572 520589161 /nfs/dbraw/zinc/58/91/61/520589161.db2.gz ZRKOKTFKLBXIKQ-GOSISDBHSA-N 3 0 295.515 2.820 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000191458507 520606651 /nfs/dbraw/zinc/60/66/51/520606651.db2.gz OORTXXGDSCRAAK-UHFFFAOYSA-N 2 0 283.504 2.772 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423253829 534504924 /nfs/dbraw/zinc/50/49/24/534504924.db2.gz WLVSJEPLLMQRDA-BLLLJJGKSA-N 2 0 262.372 2.792 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000360994812 520624003 /nfs/dbraw/zinc/62/40/03/520624003.db2.gz GKRADBBZMQSXHK-CABCVRRESA-N 2 0 270.461 2.900 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000336789944 520636505 /nfs/dbraw/zinc/63/65/05/520636505.db2.gz KGBSUKGQHPLCLZ-ZNMIVQPWSA-N 2 0 256.434 2.654 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccco2)CC1 ZINC000354033135 520694056 /nfs/dbraw/zinc/69/40/56/520694056.db2.gz IPSZHHPVSSZNBL-UHFFFAOYSA-N 2 0 280.412 2.602 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCSC(C)C)C1 ZINC000338318899 520696227 /nfs/dbraw/zinc/69/62/27/520696227.db2.gz SQARKDBWQGHUPV-OAHLLOKOSA-N 2 0 288.501 2.561 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000354106185 520697396 /nfs/dbraw/zinc/69/73/96/520697396.db2.gz HUNWLIPWXQRROA-QGZVFWFLSA-N 2 0 294.414 2.758 20 0 CFADRP CC1(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000309718323 520732588 /nfs/dbraw/zinc/73/25/88/520732588.db2.gz LLAQVIRPTFYYAF-KRWDZBQOSA-N 2 0 288.435 2.525 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cncnc2)cc1 ZINC000054767132 520750178 /nfs/dbraw/zinc/75/01/78/520750178.db2.gz JPXIPRVFQLRFSY-UHFFFAOYSA-N 2 0 284.407 2.608 20 0 CFADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000192648328 520837237 /nfs/dbraw/zinc/83/72/37/520837237.db2.gz YLDIBNVDMIBOOA-HQSKLWIPSA-N 2 0 295.515 2.958 20 0 CFADRP CCCC[C@@H](CC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360247151 521038246 /nfs/dbraw/zinc/03/82/46/521038246.db2.gz ZGDKGENQXSPNNO-OAHLLOKOSA-N 2 0 270.461 2.780 20 0 CFADRP Cc1cnc(C(C)(C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414716033 534538783 /nfs/dbraw/zinc/53/87/83/534538783.db2.gz XSGNPBORKGBBHC-JQWIXIFHSA-N 2 0 267.442 2.664 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000163881940 521646857 /nfs/dbraw/zinc/64/68/57/521646857.db2.gz NBGKYEKGNKCJLV-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP CCC[N@H+](CCCc1ccc(C)nc1)C1CC[NH2+]CC1 ZINC000339413345 521654710 /nfs/dbraw/zinc/65/47/10/521654710.db2.gz LIFVDOMNFSNKGZ-UHFFFAOYSA-N 2 0 275.440 2.787 20 0 CFADRP CCOCC(C)(C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000311014125 521669364 /nfs/dbraw/zinc/66/93/64/521669364.db2.gz AVDHBMPHVPUJGV-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC000361544549 521693735 /nfs/dbraw/zinc/69/37/35/521693735.db2.gz VQMBCJJLZSLKSM-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000245431522 521720001 /nfs/dbraw/zinc/72/00/01/521720001.db2.gz OBTFWAGREUXOET-RDJZCZTQSA-N 2 0 260.425 2.891 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000234380123 521994557 /nfs/dbraw/zinc/99/45/57/521994557.db2.gz PBKRUARWOOYMDM-LBPRGKRZSA-N 2 0 254.805 2.812 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414901190 534605664 /nfs/dbraw/zinc/60/56/64/534605664.db2.gz IOMUAGZRAKVOSH-UHFFFAOYSA-N 2 0 255.365 2.577 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414902488 534606062 /nfs/dbraw/zinc/60/60/62/534606062.db2.gz JSZQDZUJGHJMID-UHFFFAOYSA-N 2 0 294.402 2.854 20 0 CFADRP Cc1sc(C[NH2+][C@@H](C)CCC[NH3+])nc1C(C)C ZINC000422719724 534607347 /nfs/dbraw/zinc/60/73/47/534607347.db2.gz ZDVLULWCJCOGJQ-JTQLQIEISA-N 2 0 255.431 2.792 20 0 CFADRP [NH3+]CCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000414694124 534608072 /nfs/dbraw/zinc/60/80/72/534608072.db2.gz CZDRKQANJSJNSH-UHFFFAOYSA-N 2 0 264.388 2.962 20 0 CFADRP [NH3+]CCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423196770 534615459 /nfs/dbraw/zinc/61/54/59/534615459.db2.gz WEKYZCHMLFJBHJ-ZDUSSCGKSA-N 2 0 288.313 2.975 20 0 CFADRP COC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000173644390 522222468 /nfs/dbraw/zinc/22/24/68/522222468.db2.gz KCQNCYUPIDGOBN-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000361076432 522287576 /nfs/dbraw/zinc/28/75/76/522287576.db2.gz PLQQQASPEMGVPS-HZPDHXFCSA-N 2 0 270.461 2.758 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1Cl ZINC000234751476 522289614 /nfs/dbraw/zinc/28/96/14/522289614.db2.gz GCFHWGSUJKYCFO-VXGBXAGGSA-N 2 0 270.804 2.745 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccs1 ZINC000155635325 522608236 /nfs/dbraw/zinc/60/82/36/522608236.db2.gz MLBIKCGHVZAOGG-CABCVRRESA-N 2 0 295.496 2.815 20 0 CFADRP Clc1cccc([C@@H]2CC[C@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423331754 534648231 /nfs/dbraw/zinc/64/82/31/534648231.db2.gz UVAYVCGDECEGSH-HIFRSBDPSA-N 2 0 264.800 2.785 20 0 CFADRP COCC1(C[NH+]2CCC(CCC[NH+](C)C)CC2)CCC1 ZINC000361349344 522869680 /nfs/dbraw/zinc/86/96/80/522869680.db2.gz ULUJVURTWOCBSW-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000339411652 523045834 /nfs/dbraw/zinc/04/58/34/523045834.db2.gz ZWXDBOYZEGRBMJ-JYJNAYRXSA-N 2 0 298.471 2.676 20 0 CFADRP COCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246281758 523305666 /nfs/dbraw/zinc/30/56/66/523305666.db2.gz CEGPUFFQRUNYEN-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP CO[C@@H](C)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000182397463 523406477 /nfs/dbraw/zinc/40/64/77/523406477.db2.gz CSPPRUYPIVVGAU-HNNXBMFYSA-N 2 0 291.439 2.655 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000366300381 523442571 /nfs/dbraw/zinc/44/25/71/523442571.db2.gz RHBJXMVWOGRJPS-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423093500 534710876 /nfs/dbraw/zinc/71/08/76/534710876.db2.gz HSXOGDXWUUXESF-RKLWJJNISA-N 2 0 262.372 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423112736 534715519 /nfs/dbraw/zinc/71/55/19/534715519.db2.gz KFDZCUAIOFHAGU-GDBMZVCRSA-N 2 0 275.371 2.709 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CC2)c1 ZINC000423311638 534727701 /nfs/dbraw/zinc/72/77/01/534727701.db2.gz CCWZTXDHDHYTBX-IRXDYDNUSA-N 2 0 258.409 2.643 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000414986356 534726067 /nfs/dbraw/zinc/72/60/67/534726067.db2.gz CASYEADFMFCAHW-WFASDCNBSA-N 2 0 285.391 2.548 20 0 CFADRP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C2CC2)c1 ZINC000423398394 534727824 /nfs/dbraw/zinc/72/78/24/534727824.db2.gz OWHHZFFAOKNSSL-OLMNPRSZSA-N 2 0 272.436 2.904 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281412891 523759449 /nfs/dbraw/zinc/75/94/49/523759449.db2.gz ZLGHHGOOSLGADT-KRWDZBQOSA-N 2 0 291.414 2.993 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000300457634 523792183 /nfs/dbraw/zinc/79/21/83/523792183.db2.gz MWEGEWRTVVDTJK-XMTFNYHQSA-N 2 0 294.483 2.876 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156569061 523847916 /nfs/dbraw/zinc/84/79/16/523847916.db2.gz STTVBFJCRYHVGC-GJZGRUSLSA-N 2 0 296.455 2.524 20 0 CFADRP Cc1ncc(C[NH2+]CC2(C)CC[NH2+]CC2)n1-c1ccccc1 ZINC000414903862 534740097 /nfs/dbraw/zinc/74/00/97/534740097.db2.gz MNIBBQNKVBKZOD-UHFFFAOYSA-N 2 0 298.434 2.660 20 0 CFADRP CC[C@H](C)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000088503049 523880891 /nfs/dbraw/zinc/88/08/91/523880891.db2.gz UNTYYHXWICMFSN-ULQDDVLXSA-N 2 0 281.488 2.523 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000340704148 523932769 /nfs/dbraw/zinc/93/27/69/523932769.db2.gz CVBSRPIYSFDWNB-KRWDZBQOSA-N 2 0 276.424 2.559 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190423144 524051019 /nfs/dbraw/zinc/05/10/19/524051019.db2.gz VYJUQMUYLWHSCC-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361896662 524052917 /nfs/dbraw/zinc/05/29/17/524052917.db2.gz KWKZSBUNFOBJTD-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCOC1CCCCC1 ZINC000311023688 524136418 /nfs/dbraw/zinc/13/64/18/524136418.db2.gz MCAYRBGHDCFGGP-CQSZACIVSA-N 2 0 256.434 2.833 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)cn1 ZINC000334839170 524240660 /nfs/dbraw/zinc/24/06/60/524240660.db2.gz YAKJKZGNFXGHCK-CVEARBPZSA-N 2 0 287.451 2.958 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[Si](C)(C)C)CC1 ZINC000366663913 524257911 /nfs/dbraw/zinc/25/79/11/524257911.db2.gz RKMQLBHIXBTVPH-CYBMUJFWSA-N 2 0 254.494 2.813 20 0 CFADRP C[C@H]1CC[N@H+](CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000163863330 524290367 /nfs/dbraw/zinc/29/03/67/524290367.db2.gz AALGUAWXLXAOLK-KBPBESRZSA-N 2 0 264.438 2.695 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000334866339 524389071 /nfs/dbraw/zinc/38/90/71/524389071.db2.gz VFUAACUFRSWNGT-QZTJIDSGSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431832 524407093 /nfs/dbraw/zinc/40/70/93/524407093.db2.gz DETCIAIQEVNMJZ-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353434948 524437273 /nfs/dbraw/zinc/43/72/73/524437273.db2.gz KDCWNHGSKHOMFM-GVDBMIGSSA-N 2 0 258.409 2.957 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)nc1 ZINC000156298594 524438222 /nfs/dbraw/zinc/43/82/22/524438222.db2.gz JEWSUFXEFWBEGX-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cccc2cccnc21 ZINC000312341923 524454082 /nfs/dbraw/zinc/45/40/82/524454082.db2.gz IZLZILOPJQVDCL-AWEZNQCLSA-N 2 0 271.408 2.884 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158711761 524470029 /nfs/dbraw/zinc/47/00/29/524470029.db2.gz OZMJYXHPKSDWAU-IAGOWNOFSA-N 2 0 258.409 2.911 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360973283 524497256 /nfs/dbraw/zinc/49/72/56/524497256.db2.gz BIEBVTSALBWKFW-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000085675010 524501503 /nfs/dbraw/zinc/50/15/03/524501503.db2.gz KISHBGKOOCVZGU-TWMKSMIVSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000163887907 524511308 /nfs/dbraw/zinc/51/13/08/524511308.db2.gz REWMDOCPPHVWHP-DOMZBBRYSA-N 2 0 287.382 2.791 20 0 CFADRP Cc1csc(C2([NH2+][C@H](C)CCCC[NH3+])CCC2)n1 ZINC000422940376 534796772 /nfs/dbraw/zinc/79/67/72/534796772.db2.gz NCEABUTWKZXDRW-LLVKDONJSA-N 2 0 267.442 2.938 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422885417 534802138 /nfs/dbraw/zinc/80/21/38/534802138.db2.gz YOOYGDDZEAAUKH-IAGOWNOFSA-N 2 0 288.435 2.513 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H](C)CCC[NH3+])CCOCC1 ZINC000422877907 534802812 /nfs/dbraw/zinc/80/28/12/534802812.db2.gz IUQDHNWAHYGVPD-INIZCTEOSA-N 2 0 290.451 2.760 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1Cl ZINC000336050986 524713003 /nfs/dbraw/zinc/71/30/03/524713003.db2.gz CLTOGMKWLZMCHT-DGCLKSJQSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000156065799 524750168 /nfs/dbraw/zinc/75/01/68/524750168.db2.gz ZLAHMPFLQZPZOT-JKSUJKDBSA-N 2 0 274.408 2.590 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc2cccnc12 ZINC000334856136 524782710 /nfs/dbraw/zinc/78/27/10/524782710.db2.gz GEWWKIZRRVARBO-CJNGLKHVSA-N 2 0 269.392 2.631 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414803343 534808003 /nfs/dbraw/zinc/80/80/03/534808003.db2.gz NQRLXUOUXZZVJL-ZBFHGGJFSA-N 2 0 292.471 2.862 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000157069141 524825574 /nfs/dbraw/zinc/82/55/74/524825574.db2.gz GUBGHKRFRKWLHE-JTQLQIEISA-N 2 0 254.324 2.524 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000082474648 524827129 /nfs/dbraw/zinc/82/71/29/524827129.db2.gz LLYFMDGBKNYKPG-VIFPVBQESA-N 2 0 258.818 2.961 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339409235 524847053 /nfs/dbraw/zinc/84/70/53/524847053.db2.gz XYDMQJLSDJXLMX-JKSUJKDBSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000334852861 524889174 /nfs/dbraw/zinc/88/91/74/524889174.db2.gz BGDMESPDUIQUBE-FZMZJTMJSA-N 2 0 252.789 2.736 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000158779032 524896772 /nfs/dbraw/zinc/89/67/72/524896772.db2.gz LPJYEKKAPSGKGY-CJNGLKHVSA-N 2 0 296.455 2.989 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000315347955 524913702 /nfs/dbraw/zinc/91/37/02/524913702.db2.gz YGQUXIILDISWFL-HBUWYVDXSA-N 2 0 298.434 2.895 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361492442 524915426 /nfs/dbraw/zinc/91/54/26/524915426.db2.gz HYIWOBZUSCNODR-RKVPGOIHSA-N 2 0 298.434 2.691 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000334858412 525093970 /nfs/dbraw/zinc/09/39/70/525093970.db2.gz TWWRAZMTGVFANS-ABAIWWIYSA-N 2 0 289.810 2.976 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000231787036 525357897 /nfs/dbraw/zinc/35/78/97/525357897.db2.gz YOFFQEHDLIZWMB-LBPRGKRZSA-N 2 0 270.804 2.569 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000192933337 525392978 /nfs/dbraw/zinc/39/29/78/525392978.db2.gz JXXQNYQGYOVIQI-SZMVWBNQSA-N 2 0 288.435 2.523 20 0 CFADRP CSCCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229211528 525437869 /nfs/dbraw/zinc/43/78/69/525437869.db2.gz MASZSRHSBXKGKK-ZIAGYGMSSA-N 2 0 250.411 2.864 20 0 CFADRP CSCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309951400 525505123 /nfs/dbraw/zinc/50/51/23/525505123.db2.gz GIXQKWJFLFPOCB-IAGOWNOFSA-N 2 0 290.476 2.803 20 0 CFADRP CSCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309951399 525506222 /nfs/dbraw/zinc/50/62/22/525506222.db2.gz GIXQKWJFLFPOCB-DLBZAZTESA-N 2 0 290.476 2.803 20 0 CFADRP C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)C1C[NH2+]C1 ZINC000335069853 525639384 /nfs/dbraw/zinc/63/93/84/525639384.db2.gz RZMYCSIXNNJPGE-LRDDRELGSA-N 2 0 258.409 2.898 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246119610 525843573 /nfs/dbraw/zinc/84/35/73/525843573.db2.gz KHHRIEQFFSUWAK-UONOGXRCSA-N 2 0 264.438 2.973 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000334998444 526162136 /nfs/dbraw/zinc/16/21/36/526162136.db2.gz QOVNNIBZERFONT-WCQYABFASA-N 2 0 250.411 2.578 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000361968079 526246860 /nfs/dbraw/zinc/24/68/60/526246860.db2.gz DNSPYSGAQCUELY-WMZOPIPTSA-N 2 0 294.483 2.999 20 0 CFADRP O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305130355 526305342 /nfs/dbraw/zinc/30/53/42/526305342.db2.gz MRQDRJOHZVYCEL-SJORKVTESA-N 2 0 280.456 2.677 20 0 CFADRP Oc1ccc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000336478617 526343672 /nfs/dbraw/zinc/34/36/72/526343672.db2.gz RVQCHXAYBPEQIE-AWEZNQCLSA-N 2 0 274.408 2.571 20 0 CFADRP c1[nH]nc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)ccc12 ZINC000334852189 526395965 /nfs/dbraw/zinc/39/59/65/526395965.db2.gz JVSPVNYIBAPTCY-MRXNPFEDSA-N 2 0 284.407 2.527 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc12 ZINC000334868824 526396497 /nfs/dbraw/zinc/39/64/97/526396497.db2.gz LRCLMNSUQIQYFU-WBVHZDCISA-N 2 0 284.407 2.527 20 0 CFADRP C1=C[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000173959478 526420095 /nfs/dbraw/zinc/42/00/95/526420095.db2.gz DFEQUZMFRZGAAM-INIZCTEOSA-N 2 0 278.440 2.672 20 0 CFADRP c1cnc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000336380921 526544980 /nfs/dbraw/zinc/54/49/80/526544980.db2.gz UMYCYGXHTQWPKC-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP c1oc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000084109995 526627397 /nfs/dbraw/zinc/62/73/97/526627397.db2.gz JEBNFDQZRNRANJ-MRXNPFEDSA-N 2 0 256.349 2.618 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1F ZINC000420399740 526637187 /nfs/dbraw/zinc/63/71/87/526637187.db2.gz IANJJUYLHHIRBE-ZDUSSCGKSA-N 2 0 256.340 2.990 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422750911 526683279 /nfs/dbraw/zinc/68/32/79/526683279.db2.gz APNNKEOQODIZHE-APIJFGDWSA-N 2 0 268.445 2.545 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000088868406 526716498 /nfs/dbraw/zinc/71/64/98/526716498.db2.gz VGYJBKLNIIPNPR-CQSZACIVSA-N 2 0 279.453 2.724 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000261590798 526724673 /nfs/dbraw/zinc/72/46/73/526724673.db2.gz LMARJORYEPIEBN-MGPQQGTHSA-N 2 0 279.453 2.770 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422756706 526740647 /nfs/dbraw/zinc/74/06/47/526740647.db2.gz HWVCQNQVFALVTL-DRFQVBMSSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000049538766 526752682 /nfs/dbraw/zinc/75/26/82/526752682.db2.gz AQJCSEFBHLKNLP-JOYOIKCWSA-N 2 0 253.415 2.553 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2)C1 ZINC000269136341 536475599 /nfs/dbraw/zinc/47/55/99/536475599.db2.gz RPYSPRDRIRUPMI-GDBMZVCRSA-N 2 0 262.372 2.742 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414837545 526880435 /nfs/dbraw/zinc/88/04/35/526880435.db2.gz UMGOMKWFBVOBLV-LLVKDONJSA-N 2 0 267.442 2.530 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459740958 536501481 /nfs/dbraw/zinc/50/14/81/536501481.db2.gz URKSZHAZJRCKNA-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP Clc1ccsc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310581975 526993493 /nfs/dbraw/zinc/99/34/93/526993493.db2.gz RKTHVYBABQKHEO-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP Clc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000088782509 526999314 /nfs/dbraw/zinc/99/93/14/526999314.db2.gz AHZXZKASZPTPIB-OAHLLOKOSA-N 2 0 279.815 2.699 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cs1 ZINC000158073198 527062911 /nfs/dbraw/zinc/06/29/11/527062911.db2.gz DIEGSOSXOHZCLP-NSHDSACASA-N 2 0 267.442 2.834 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCSCC2)C2CC3CC(C2)CC1C3 ZINC000335069971 527132577 /nfs/dbraw/zinc/13/25/77/527132577.db2.gz OGQKEIVEQLZTCE-UHFFFAOYSA-N 2 0 280.481 2.625 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193203979 527169594 /nfs/dbraw/zinc/16/95/94/527169594.db2.gz ACNMFCNXFCHCBI-MQVJKMGUSA-N 2 0 298.434 2.560 20 0 CFADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CCO2 ZINC000309799408 527179147 /nfs/dbraw/zinc/17/91/47/527179147.db2.gz RJWYEWGVCPMIBT-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414803117 527259055 /nfs/dbraw/zinc/25/90/55/527259055.db2.gz LKHMNBNVBXPXSH-KGLIPLIRSA-N 2 0 250.361 2.789 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000334846133 527351575 /nfs/dbraw/zinc/35/15/75/527351575.db2.gz MICOVFNRFYYION-NXEZZACHSA-N 2 0 289.242 2.870 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@H]12 ZINC000339406434 527367666 /nfs/dbraw/zinc/36/76/66/527367666.db2.gz HYVUYGDCNNETPM-HYVNUMGLSA-N 2 0 274.408 2.515 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086403549 527406279 /nfs/dbraw/zinc/40/62/79/527406279.db2.gz IUXBOIDFGMFKIT-STQMWFEESA-N 2 0 283.213 2.809 20 0 CFADRP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC[NH+]1CCCC1 ZINC000423137259 527478611 /nfs/dbraw/zinc/47/86/11/527478611.db2.gz QKVPUFDDFRVRDV-RCCFBDPRSA-N 3 0 293.499 2.763 20 0 CFADRP C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)CC1CCOCC1 ZINC000420321483 527478989 /nfs/dbraw/zinc/47/89/89/527478989.db2.gz VICLIKZIMQGJBH-GOSISDBHSA-N 2 0 294.483 2.905 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@H]1C1CC1 ZINC000423162408 527491193 /nfs/dbraw/zinc/49/11/93/527491193.db2.gz LDJHHNYLUQFSFQ-SMLCLMEVSA-N 2 0 262.441 2.933 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1(C2CCC2)CCC1 ZINC000423168861 527492592 /nfs/dbraw/zinc/49/25/92/527492592.db2.gz VBGDMNRBWCKPRL-ULQDDVLXSA-N 2 0 292.467 2.704 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000336116573 527569499 /nfs/dbraw/zinc/56/94/99/527569499.db2.gz IQNCTZSKCXDERI-PBHICJAKSA-N 2 0 282.391 2.950 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000364827512 527630840 /nfs/dbraw/zinc/63/08/40/527630840.db2.gz AKNAGAPEMCVRBV-HOTGVXAUSA-N 2 0 290.455 2.522 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H](C[NH3+])C2CC2)CC1 ZINC000423265980 527647076 /nfs/dbraw/zinc/64/70/76/527647076.db2.gz BNHRWOBSGIGLQR-MRXNPFEDSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)(C)C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000423209813 527694423 /nfs/dbraw/zinc/69/44/23/527694423.db2.gz VVAMVGZUGLHCEL-QGZVFWFLSA-N 2 0 289.467 2.659 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827604 527729118 /nfs/dbraw/zinc/72/91/18/527729118.db2.gz SJZOSCLMSWXWFD-BPUTZDHNSA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423206587 527836049 /nfs/dbraw/zinc/83/60/49/527836049.db2.gz GGAXHKUBGXYDLQ-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@@H]1Oc1ccccc1 ZINC000423325635 527869594 /nfs/dbraw/zinc/86/95/94/527869594.db2.gz QJMCJXZIJYQHSW-OAGGEKHMSA-N 2 0 274.408 2.559 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H]2CCCO[C@@H]21 ZINC000414199642 527873248 /nfs/dbraw/zinc/87/32/48/527873248.db2.gz ZEIOQTZAAGRDLY-XHSDSOJGSA-N 2 0 285.391 2.628 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(CC)CC ZINC000425943267 527941362 /nfs/dbraw/zinc/94/13/62/527941362.db2.gz PZVDKAMUFIIIHF-SOUVJXGZSA-N 2 0 270.461 2.758 20 0 CFADRP CC1(C[NH2+]C/C=C/c2ccc(F)cc2)CC[NH2+]CC1 ZINC000414907351 527980286 /nfs/dbraw/zinc/98/02/86/527980286.db2.gz QINATMCYFABMFK-NSCUHMNNSA-N 2 0 262.372 2.818 20 0 CFADRP CC1(C[NH2+]Cc2cc3ccccc3o2)CC[NH2+]CC1 ZINC000414906422 527981231 /nfs/dbraw/zinc/98/12/31/527981231.db2.gz PLWVORGNUTXRLI-UHFFFAOYSA-N 2 0 258.365 2.912 20 0 CFADRP CC1(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]CC1 ZINC000414901258 527981513 /nfs/dbraw/zinc/98/15/13/527981513.db2.gz JLNXBKIECSATNK-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423141922 528000566 /nfs/dbraw/zinc/00/05/66/528000566.db2.gz SJEJHISYPWQSCP-YLFCFFPRSA-N 2 0 281.488 2.617 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423106314 528062087 /nfs/dbraw/zinc/06/20/87/528062087.db2.gz RHLVKAYJDLYDCU-AKBUMOGYSA-N 2 0 258.409 2.824 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423326476 528098440 /nfs/dbraw/zinc/09/84/40/528098440.db2.gz KQATYRNGFLQZTN-CQSZACIVSA-N 2 0 291.439 2.558 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000035451196 528112733 /nfs/dbraw/zinc/11/27/33/528112733.db2.gz ZSCQCXGYVGAFJZ-AWEZNQCLSA-N 2 0 252.402 2.922 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1(C)C ZINC000422756953 528132661 /nfs/dbraw/zinc/13/26/61/528132661.db2.gz CSBWGHIDVQNJKV-FXUDXRNXSA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423335975 528141458 /nfs/dbraw/zinc/14/14/58/528141458.db2.gz SIJPGWBIYCIYID-CABCVRRESA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414847166 528144387 /nfs/dbraw/zinc/14/43/87/528144387.db2.gz OKNHFMZEYFCFRE-IAGOWNOFSA-N 2 0 275.440 2.542 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423243056 528145183 /nfs/dbraw/zinc/14/51/83/528145183.db2.gz MPTXQRRNWRCZDQ-OLMNPRSZSA-N 2 0 289.467 2.788 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000422840623 528171814 /nfs/dbraw/zinc/17/18/14/528171814.db2.gz UFBNBCNFBXTNCT-JYJNAYRXSA-N 3 0 269.477 2.604 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422738286 528188396 /nfs/dbraw/zinc/18/83/96/528188396.db2.gz JKUHMWSKRPAJRY-FGTMMUONSA-N 3 0 293.499 2.619 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414800689 528226291 /nfs/dbraw/zinc/22/62/91/528226291.db2.gz SRBYGSASYGGGDR-GDBMZVCRSA-N 2 0 262.397 2.691 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422878438 528236916 /nfs/dbraw/zinc/23/69/16/528236916.db2.gz JDMDMDJVTRJOIU-IAGOWNOFSA-N 3 0 281.488 2.606 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422878440 528237015 /nfs/dbraw/zinc/23/70/15/528237015.db2.gz JDMDMDJVTRJOIU-IRXDYDNUSA-N 3 0 281.488 2.606 20 0 CFADRP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422877301 528240475 /nfs/dbraw/zinc/24/04/75/528240475.db2.gz HMYBXOOBGWFBNW-OLZOCXBDSA-N 2 0 262.397 2.732 20 0 CFADRP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422877303 528243319 /nfs/dbraw/zinc/24/33/19/528243319.db2.gz HMYBXOOBGWFBNW-STQMWFEESA-N 2 0 262.397 2.732 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422881834 528247232 /nfs/dbraw/zinc/24/72/32/528247232.db2.gz ZFSRRWLUAZKNDW-QWHCGFSZSA-N 2 0 250.386 2.609 20 0 CFADRP CC(C)c1nc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cs1 ZINC000423328255 528301937 /nfs/dbraw/zinc/30/19/37/528301937.db2.gz AOASOJMOYPEVCR-LLVKDONJSA-N 2 0 265.426 2.837 20 0 CFADRP CCN(CC)c1ncc(C[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000415018587 528316456 /nfs/dbraw/zinc/31/64/56/528316456.db2.gz UNAZDKJGJXWMRO-LBPRGKRZSA-N 2 0 284.473 2.596 20 0 CFADRP CCCC[N@H+](C)CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414681727 528338296 /nfs/dbraw/zinc/33/82/96/528338296.db2.gz WQNQKDDHVGKMQH-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000426290277 528422293 /nfs/dbraw/zinc/42/22/93/528422293.db2.gz OOXHPIUHRHDKAM-YNEHKIRRSA-N 2 0 296.484 2.522 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423320254 528437395 /nfs/dbraw/zinc/43/73/95/528437395.db2.gz MGGBTSGDJPBYEB-DLBZAZTESA-N 2 0 260.425 2.971 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OCC ZINC000414826619 528455466 /nfs/dbraw/zinc/45/54/66/528455466.db2.gz FVCACCFOIXLDSJ-AWEZNQCLSA-N 2 0 292.423 2.573 20 0 CFADRP CCN(CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422778739 528458079 /nfs/dbraw/zinc/45/80/79/528458079.db2.gz DXWAOAWNIVNZMQ-RDJZCZTQSA-N 2 0 275.440 2.633 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000414807124 528460582 /nfs/dbraw/zinc/46/05/82/528460582.db2.gz QVDVSTNKUMZTNZ-UKRRQHHQSA-N 2 0 280.387 2.832 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834116 528465293 /nfs/dbraw/zinc/46/52/93/528465293.db2.gz NIBMQGNPDDHLKM-FVQBIDKESA-N 2 0 261.413 2.551 20 0 CFADRP CC(C)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968322 528465870 /nfs/dbraw/zinc/46/58/70/528465870.db2.gz WIGDGBALZJGHAB-IXDOHACOSA-N 2 0 281.488 2.617 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422744086 528469318 /nfs/dbraw/zinc/46/93/18/528469318.db2.gz SFQQIRXAYGPRMY-IKGGRYGDSA-N 2 0 281.488 2.891 20 0 CFADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423304544 528473654 /nfs/dbraw/zinc/47/36/54/528473654.db2.gz YXYQZKPEVCIAGW-WDEREUQCSA-N 2 0 270.804 2.984 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1c[nH+]ccc1N ZINC000422741149 528473661 /nfs/dbraw/zinc/47/36/61/528473661.db2.gz OHESKHZCOBACEO-CABCVRRESA-N 2 0 290.455 2.799 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214570 528487270 /nfs/dbraw/zinc/48/72/70/528487270.db2.gz PDLDTCGHRPWTFY-ZWKOTPCHSA-N 2 0 290.451 2.817 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422810025 528498715 /nfs/dbraw/zinc/49/87/15/528498715.db2.gz QUQBFWZDDTVGNA-IAOVAPTHSA-N 2 0 276.424 2.766 20 0 CFADRP CCN(CC[NH2+][C@H](C)CCCC[NH3+])c1cccc(C)c1 ZINC000422774310 528516389 /nfs/dbraw/zinc/51/63/89/528516389.db2.gz WNWIKMCGDZEILK-MRXNPFEDSA-N 2 0 277.456 2.928 20 0 CFADRP CCC[NH2+]CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414877446 528517662 /nfs/dbraw/zinc/51/76/62/528517662.db2.gz XPFKNWRICYBUCD-AEFFLSMTSA-N 2 0 289.467 2.629 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414840624 528518216 /nfs/dbraw/zinc/51/82/16/528518216.db2.gz MOUQJKVWWDPNIE-JQHSSLGASA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414856379 528519586 /nfs/dbraw/zinc/51/95/86/528519586.db2.gz YTWWHHPQNTWYNK-KBAYOESNSA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414786445 528532629 /nfs/dbraw/zinc/53/26/29/528532629.db2.gz BELBDDPBRPESHX-WFASDCNBSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423281635 528533995 /nfs/dbraw/zinc/53/39/95/528533995.db2.gz VGWLTPQILUGRSJ-HOTGVXAUSA-N 2 0 266.404 2.966 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414790744 528534635 /nfs/dbraw/zinc/53/46/35/528534635.db2.gz GSGXXGCOSQRSRO-RISCZKNCSA-N 2 0 297.830 2.630 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423242235 528594210 /nfs/dbraw/zinc/59/42/10/528594210.db2.gz FAVNMMMBGSUZRG-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OCC ZINC000423235728 528594967 /nfs/dbraw/zinc/59/49/67/528594967.db2.gz RKMCVRRQHKTQNA-QWHCGFSZSA-N 2 0 280.412 2.872 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422697972 528598682 /nfs/dbraw/zinc/59/86/82/528598682.db2.gz WZQACTKIRPIDCY-YOEHRIQHSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422774976 528599122 /nfs/dbraw/zinc/59/91/22/528599122.db2.gz ZFPPAOVLHOURSP-OGHNNQOOSA-N 2 0 292.423 2.870 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427120386 528634463 /nfs/dbraw/zinc/63/44/63/528634463.db2.gz BPKPCQYUPALTPU-DLBZAZTESA-N 2 0 258.409 2.823 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422892636 528635817 /nfs/dbraw/zinc/63/58/17/528635817.db2.gz YYVDYPDGEHSJFZ-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)CCC[NH3+])CCCC1 ZINC000422888724 528636938 /nfs/dbraw/zinc/63/69/38/528636938.db2.gz NPMZPYUWLXQBJT-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C1(C)C ZINC000423274153 528637544 /nfs/dbraw/zinc/63/75/44/528637544.db2.gz LLRIVZUXYZWVEQ-BFHYXJOUSA-N 2 0 256.434 2.543 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422901262 528670002 /nfs/dbraw/zinc/67/00/02/528670002.db2.gz RTYZLLAILJHFNN-IAGOWNOFSA-N 2 0 276.424 2.877 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422904036 528670476 /nfs/dbraw/zinc/67/04/76/528670476.db2.gz WTBFMKQBSDSUIB-CQSZACIVSA-N 2 0 276.424 2.606 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000414110585 528671140 /nfs/dbraw/zinc/67/11/40/528671140.db2.gz IDDLKRIPYZHKLT-JJTUDDRGSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000415007275 528671481 /nfs/dbraw/zinc/67/14/81/528671481.db2.gz BFCMKVCNDFTHDY-GFCCVEGCSA-N 2 0 269.458 2.949 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422828219 528687322 /nfs/dbraw/zinc/68/73/22/528687322.db2.gz NYOHJAHFMZWKGQ-OLZOCXBDSA-N 2 0 280.412 2.699 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422783591 528689125 /nfs/dbraw/zinc/68/91/25/528689125.db2.gz OLAAZIIDQKTDOR-STQMWFEESA-N 2 0 250.386 2.863 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422893874 528689991 /nfs/dbraw/zinc/68/99/91/528689991.db2.gz BELXDKUGVMALBJ-CHWSQXEVSA-N 2 0 250.386 2.691 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414820610 528757318 /nfs/dbraw/zinc/75/73/18/528757318.db2.gz ALLDBNXTODXJSP-OAHLLOKOSA-N 2 0 262.397 2.565 20 0 CFADRP CCC(CC)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)[NH+](C)C ZINC000422964881 528822878 /nfs/dbraw/zinc/82/28/78/528822878.db2.gz MYEWZZYSNRMXKA-MLGOLLRUSA-N 2 0 278.444 2.511 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422868113 528835964 /nfs/dbraw/zinc/83/59/64/528835964.db2.gz ULLIZBOEBWCAHB-YJBOKZPZSA-N 3 0 289.467 2.744 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000423001918 528885369 /nfs/dbraw/zinc/88/53/69/528885369.db2.gz FHYHGPUYKJEFHZ-CVEARBPZSA-N 2 0 269.477 2.745 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422749492 528913996 /nfs/dbraw/zinc/91/39/96/528913996.db2.gz ZKWYGTQWWXTUFW-VVLHAWIVSA-N 2 0 282.472 2.950 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416534 528928205 /nfs/dbraw/zinc/92/82/05/528928205.db2.gz CRLROLJSXDGHCZ-YHUYYLMFSA-N 2 0 268.445 2.546 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414804936 528947856 /nfs/dbraw/zinc/94/78/56/528947856.db2.gz FPNPJUISBMWIEN-UHFFFAOYSA-N 2 0 276.424 2.661 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425343469 528968958 /nfs/dbraw/zinc/96/89/58/528968958.db2.gz IKOJDPPYYXIENY-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCCC1 ZINC000422964034 529012565 /nfs/dbraw/zinc/01/25/65/529012565.db2.gz KGBWBIALEYDMFL-WFFDWFOESA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1cccnc1 ZINC000422839113 529017899 /nfs/dbraw/zinc/01/78/99/529017899.db2.gz ZFVASOMWWSKGJR-XIRDDKMYSA-N 2 0 275.440 2.799 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414790746 529069495 /nfs/dbraw/zinc/06/94/95/529069495.db2.gz GSGXXGCOSQRSRO-SMDDNHRTSA-N 2 0 297.830 2.630 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423281632 529070532 /nfs/dbraw/zinc/07/05/32/529070532.db2.gz VGWLTPQILUGRSJ-CVEARBPZSA-N 2 0 266.404 2.966 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@H]1OC ZINC000422933017 529111570 /nfs/dbraw/zinc/11/15/70/529111570.db2.gz DALJDHPAERJEQP-KBUPBQIOSA-N 2 0 268.445 2.558 20 0 CFADRP CCC1(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCOCC1 ZINC000414779584 529117557 /nfs/dbraw/zinc/11/75/57/529117557.db2.gz KLRVZQCLZOYJLB-HOTGVXAUSA-N 2 0 280.456 2.515 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423455980 529125993 /nfs/dbraw/zinc/12/59/93/529125993.db2.gz NCSPWVOESHDDJL-RISCZKNCSA-N 2 0 253.365 2.635 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423465556 529126355 /nfs/dbraw/zinc/12/63/55/529126355.db2.gz WPPQRJJBEGMHNY-ABAIWWIYSA-N 2 0 291.395 2.948 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177295200 529147170 /nfs/dbraw/zinc/14/71/70/529147170.db2.gz XCBVNQMGUWXLJP-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423324825 529156115 /nfs/dbraw/zinc/15/61/15/529156115.db2.gz JCBNGOIYEGCUIW-CYBMUJFWSA-N 2 0 265.376 2.651 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000162754183 529161041 /nfs/dbraw/zinc/16/10/41/529161041.db2.gz DZRGQQOSIRVQPX-QZTJIDSGSA-N 2 0 290.451 2.913 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000423269896 529171769 /nfs/dbraw/zinc/17/17/69/529171769.db2.gz HGYAPHIUTZERKQ-SWLSCSKDSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422733386 529175272 /nfs/dbraw/zinc/17/52/72/529175272.db2.gz QXTQOQKTKVSPCK-IKGGRYGDSA-N 2 0 293.430 2.549 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423216979 529175386 /nfs/dbraw/zinc/17/53/86/529175386.db2.gz SUZFNRKCBBQFQA-CZUORRHYSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccccc1OC(F)F ZINC000423295021 529177667 /nfs/dbraw/zinc/17/76/67/529177667.db2.gz DGMGBQXIUUYYRR-ZYHUDNBSSA-N 2 0 272.339 2.924 20 0 CFADRP CCS[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422831821 529211843 /nfs/dbraw/zinc/21/18/43/529211843.db2.gz FEZAVZASEVIAHV-JSPOSNOBSA-N 2 0 268.470 2.923 20 0 CFADRP CCSc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414823094 529252233 /nfs/dbraw/zinc/25/22/33/529252233.db2.gz AVXNLMTZOOFZBI-AWEZNQCLSA-N 2 0 264.438 2.888 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422900273 529297652 /nfs/dbraw/zinc/29/76/52/529297652.db2.gz AHQHEOFDZBNRAT-BRWVUGGUSA-N 2 0 295.515 2.994 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422814117 529368171 /nfs/dbraw/zinc/36/81/71/529368171.db2.gz ZPJMXZJGNCKVQB-MAUKXSAKSA-N 2 0 289.467 2.540 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])Oc1cccc(C)c1 ZINC000422917863 529370140 /nfs/dbraw/zinc/37/01/40/529370140.db2.gz FVKLTRSPOPYZLU-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])Oc1ccccc1F ZINC000422821555 529370274 /nfs/dbraw/zinc/37/02/74/529370274.db2.gz WZVNAMAXVCLOBP-JHJVBQTASA-N 2 0 268.376 2.699 20 0 CFADRP CC(C)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435388978 535060648 /nfs/dbraw/zinc/06/06/48/535060648.db2.gz IPFIQXPQOAFLFE-MRXNPFEDSA-N 2 0 261.413 2.682 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000459798736 535092093 /nfs/dbraw/zinc/09/20/93/535092093.db2.gz XVPZNDJWZNCEDO-HZPDHXFCSA-N 2 0 292.471 2.717 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](N(C)C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000452115190 535243196 /nfs/dbraw/zinc/24/31/96/535243196.db2.gz LFBAKHDVTFKZAK-DLBZAZTESA-N 2 0 281.488 2.664 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CS1 ZINC000449561306 535263082 /nfs/dbraw/zinc/26/30/82/535263082.db2.gz ULYLUXPABOSXLV-SCXOTVEISA-N 2 0 268.470 2.731 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449648191 535323072 /nfs/dbraw/zinc/32/30/72/535323072.db2.gz QITAPUPBNIKPDB-HOTGVXAUSA-N 2 0 297.487 2.522 20 0 CFADRP CCCC[C@@H](CCC)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153329 535352421 /nfs/dbraw/zinc/35/24/21/535352421.db2.gz PDRJELGHDMWASV-MRXNPFEDSA-N 2 0 297.487 2.665 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCCC[C@H]2C)CC1 ZINC000449744840 535671906 /nfs/dbraw/zinc/67/19/06/535671906.db2.gz KDNJVWHJRFTNMP-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCC1 ZINC000453067302 535702840 /nfs/dbraw/zinc/70/28/40/535702840.db2.gz AFIZMCXELUYSGC-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000453065391 535730158 /nfs/dbraw/zinc/73/01/58/535730158.db2.gz UUHSPVIOZYLAGD-ZFWWWQNUSA-N 2 0 295.496 2.733 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000453086650 535804753 /nfs/dbraw/zinc/80/47/53/535804753.db2.gz PCPZCKDKPJLVDB-XJKSGUPXSA-N 2 0 259.397 2.607 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1F ZINC000435395997 536516559 /nfs/dbraw/zinc/51/65/59/536516559.db2.gz UCHUSHQFHMRODJ-DZGCQCFKSA-N 2 0 294.414 2.684 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1SC ZINC000442920519 536750815 /nfs/dbraw/zinc/75/08/15/536750815.db2.gz LQJRAMRDVSQOHX-ZDUSSCGKSA-N 2 0 294.464 2.978 20 0 CFADRP COC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000089215017 536875768 /nfs/dbraw/zinc/87/57/68/536875768.db2.gz UHCOTZUQNAPLEA-KRWDZBQOSA-N 2 0 291.439 2.559 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459743216 536891985 /nfs/dbraw/zinc/89/19/85/536891985.db2.gz WXUGVVIUYAGQLD-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000754785399 574120422 /nfs/dbraw/zinc/12/04/22/574120422.db2.gz LDDCMNAKNUEMCI-ARFHVFGLSA-N 2 0 294.826 2.590 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000754785404 574120490 /nfs/dbraw/zinc/12/04/90/574120490.db2.gz LDDCMNAKNUEMCI-BZUAXINKSA-N 2 0 294.826 2.590 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754784582 574120532 /nfs/dbraw/zinc/12/05/32/574120532.db2.gz HGCUFGDQEKUMJT-IRXDYDNUSA-N 3 0 281.488 2.715 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000730081276 574251683 /nfs/dbraw/zinc/25/16/83/574251683.db2.gz NVHBHTCWNXKPSK-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)C1CC[NH+](C)CC1 ZINC000090460217 574291904 /nfs/dbraw/zinc/29/19/04/574291904.db2.gz RXJNQYAZZQAIMX-NSHDSACASA-N 2 0 279.453 2.840 20 0 CFADRP CCN(Cc1ccoc1)Cc1ccc(-n2ccnc2)nc1 ZINC000750042970 574322050 /nfs/dbraw/zinc/32/20/50/574322050.db2.gz BSHBKVGWAJSORZ-UHFFFAOYSA-N 2 0 282.347 2.882 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000742367207 574324393 /nfs/dbraw/zinc/32/43/93/574324393.db2.gz KKPFZAWZTOTMLF-GDBMZVCRSA-N 2 0 276.424 2.905 20 0 CFADRP COC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000396456431 574355147 /nfs/dbraw/zinc/35/51/47/574355147.db2.gz MSUVUKWJSVKSOU-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000396455668 574355162 /nfs/dbraw/zinc/35/51/62/574355162.db2.gz MLANCEYEADEOEL-JSGCOSHPSA-N 2 0 268.445 2.652 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000396469351 574355592 /nfs/dbraw/zinc/35/55/92/574355592.db2.gz WHAUFXIHWCAFJN-FVQBIDKESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CO ZINC000398151989 574363283 /nfs/dbraw/zinc/36/32/83/574363283.db2.gz YXCWQRLVYNHUQF-DOTOQJQBSA-N 2 0 290.451 2.505 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000743840868 574373292 /nfs/dbraw/zinc/37/32/92/574373292.db2.gz MLMJXJNFGGRKGR-INIZCTEOSA-N 2 0 296.842 2.647 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000769013446 627395320 /nfs/dbraw/zinc/39/53/20/627395320.db2.gz SODPDOSUUMTALU-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@]1(Br)C[C@H]1C[NH2+]CCC[NH+]1CCCCC1 ZINC000892461326 618297737 /nfs/dbraw/zinc/29/77/37/618297737.db2.gz GGUJSMAWFKNLJM-QWHCGFSZSA-N 2 0 289.261 2.626 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000824774608 623561599 /nfs/dbraw/zinc/56/15/99/623561599.db2.gz UDDDAZWDZGSMOE-NSHDSACASA-N 2 0 265.228 2.644 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000051693460 618049096 /nfs/dbraw/zinc/04/90/96/618049096.db2.gz DDCCCXKJNPIKSW-MQBCKMQZSA-N 2 0 274.408 2.932 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000235092957 618079204 /nfs/dbraw/zinc/07/92/04/618079204.db2.gz LXDKAOTUSWJWJJ-CHWSQXEVSA-N 2 0 256.459 2.769 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C12CCCC2 ZINC000843341684 617646119 /nfs/dbraw/zinc/64/61/19/617646119.db2.gz LKFSFGFPSOXWNP-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000891630188 617691385 /nfs/dbraw/zinc/69/13/85/617691385.db2.gz MKJLUVMNRYCVTJ-MRXNPFEDSA-N 2 0 259.397 2.560 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000843342562 617736912 /nfs/dbraw/zinc/73/69/12/617736912.db2.gz RXROYKKQXWEGBJ-OAHLLOKOSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccco2)C1 ZINC000120620883 617749881 /nfs/dbraw/zinc/74/98/81/617749881.db2.gz FUDHYGZPQHZAGN-AWEZNQCLSA-N 2 0 250.386 2.881 20 0 CFADRP Cc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(N)[nH+]1 ZINC000075605662 617762343 /nfs/dbraw/zinc/76/23/43/617762343.db2.gz WXTSRSUTHSEUOO-HNNXBMFYSA-N 2 0 297.406 2.616 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000926254620 617780306 /nfs/dbraw/zinc/78/03/06/617780306.db2.gz MEHHNHQADGEMGW-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)cc1 ZINC000891869866 617794912 /nfs/dbraw/zinc/79/49/12/617794912.db2.gz NUKQZSOLCJUOCH-QGZVFWFLSA-N 2 0 288.435 2.826 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNc2cc(NC)ncn2)c1 ZINC000891966144 617886060 /nfs/dbraw/zinc/88/60/60/617886060.db2.gz XSYIGMUQFFJZAM-UHFFFAOYSA-N 2 0 285.395 2.582 20 0 CFADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000892101472 617949824 /nfs/dbraw/zinc/94/98/24/617949824.db2.gz MRJBDKSLRAISAD-BRWVUGGUSA-N 2 0 294.483 2.854 20 0 CFADRP CC(C)CCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000892233715 618017509 /nfs/dbraw/zinc/01/75/09/618017509.db2.gz JBGBCAMNEMOKCN-IXDOHACOSA-N 2 0 282.472 2.996 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000261597252 618111115 /nfs/dbraw/zinc/11/11/15/618111115.db2.gz OWPQYRYCLJZIBU-ZWNOBZJWSA-N 2 0 272.314 2.793 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119579 618125644 /nfs/dbraw/zinc/12/56/44/618125644.db2.gz MPESUTQBVFVJIR-ANQUJSFKSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934840397 618145963 /nfs/dbraw/zinc/14/59/63/618145963.db2.gz CAXXBURWTLEBIZ-RCCFBDPRSA-N 2 0 294.483 2.999 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261634198 618155993 /nfs/dbraw/zinc/15/59/93/618155993.db2.gz DMJLMDCLTFWCDE-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc2c1OCO2 ZINC000926606415 618230561 /nfs/dbraw/zinc/23/05/61/618230561.db2.gz KDYLUGYDUYCJEN-HSBZDZAISA-N 2 0 290.407 2.939 20 0 CFADRP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185757525 618246995 /nfs/dbraw/zinc/24/69/95/618246995.db2.gz NJLXZYGFZOKTAR-KMEVASEGSA-N 2 0 256.821 2.982 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925567002 618247986 /nfs/dbraw/zinc/24/79/86/618247986.db2.gz MYLOQBJNVMOBGN-OWCLPIDISA-N 2 0 293.499 2.747 20 0 CFADRP CC[N@@H+]1CCCN(c2cc[nH+]c3ccc(OC)cc32)CC1 ZINC000892423951 618253523 /nfs/dbraw/zinc/25/35/23/618253523.db2.gz CIGROTWXTGOHFO-UHFFFAOYSA-N 2 0 285.391 2.775 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](CO)CC(C)(C)C)CC1 ZINC000925589404 618274626 /nfs/dbraw/zinc/27/46/26/618274626.db2.gz YJZRCJQURGMOJP-INIZCTEOSA-N 2 0 284.488 2.884 20 0 CFADRP C(C1CC[NH2+]CC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000178979201 618280276 /nfs/dbraw/zinc/28/02/76/618280276.db2.gz ZGJORQXZFKMZRC-UHFFFAOYSA-N 2 0 293.499 2.574 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CCC(C[NH+](C)C)CC3)C2)CO1 ZINC000925594647 618280617 /nfs/dbraw/zinc/28/06/17/618280617.db2.gz LQXCTNRVVKDXCX-CWJHNBGESA-N 2 0 280.456 2.654 20 0 CFADRP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925601471 618288608 /nfs/dbraw/zinc/28/86/08/618288608.db2.gz ZUCFXVIQMFSPBJ-XHSDSOJGSA-N 2 0 276.424 2.870 20 0 CFADRP CC[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+]1CCCC1 ZINC000925606311 618293218 /nfs/dbraw/zinc/29/32/18/618293218.db2.gz NAPJCOZRUNILHS-KZNAEPCWSA-N 2 0 293.499 2.619 20 0 CFADRP COc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925605152 618293664 /nfs/dbraw/zinc/29/36/64/618293664.db2.gz CKNXMXOEKXQKRG-MRXNPFEDSA-N 2 0 285.391 2.660 20 0 CFADRP CCCSC[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894068309 618304912 /nfs/dbraw/zinc/30/49/12/618304912.db2.gz SAVGQGDXYUGMKI-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[C@](C)(O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925611084 618309546 /nfs/dbraw/zinc/30/95/46/618309546.db2.gz KFYWNWLZDQZDBD-CVEARBPZSA-N 2 0 264.413 2.607 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(CC[C@H]2CCOC2)c2ccccn2)CC1 ZINC000895112159 618312198 /nfs/dbraw/zinc/31/21/98/618312198.db2.gz NAIZXKWDMIHQQO-JYJNAYRXSA-N 2 0 289.423 2.585 20 0 CFADRP CC(C)CCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000895124530 618337340 /nfs/dbraw/zinc/33/73/40/618337340.db2.gz ZUVMYKAAIPPBKD-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925622913 618341165 /nfs/dbraw/zinc/34/11/65/618341165.db2.gz QPGZKCRYKRDXNL-HZPDHXFCSA-N 2 0 288.435 2.832 20 0 CFADRP CCCCC[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382989 618344181 /nfs/dbraw/zinc/34/41/81/618344181.db2.gz KPWMTFMYSLUKIU-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925626280 618349394 /nfs/dbraw/zinc/34/93/94/618349394.db2.gz PIBCDFFAZIVMRR-OLZOCXBDSA-N 2 0 256.459 2.625 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627769 618352598 /nfs/dbraw/zinc/35/25/98/618352598.db2.gz DWOVOLHMVDTHJA-BIVLZKPYSA-N 2 0 294.483 2.946 20 0 CFADRP Oc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1F ZINC000925112720 618355631 /nfs/dbraw/zinc/35/56/31/618355631.db2.gz MKIBERPMVMTVPS-CABCVRRESA-N 2 0 278.371 2.638 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(F)cc1Cl ZINC000262151828 618374657 /nfs/dbraw/zinc/37/46/57/618374657.db2.gz RLCSBLGVWATFMA-CQSZACIVSA-N 2 0 288.794 2.821 20 0 CFADRP C[C@H](CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000925648178 618394551 /nfs/dbraw/zinc/39/45/51/618394551.db2.gz PXHXHXAWYJPXBX-WCXIOVBPSA-N 2 0 293.499 2.617 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925648445 618395455 /nfs/dbraw/zinc/39/54/55/618395455.db2.gz BOTALPLGERIUTE-SYNTWQANSA-N 2 0 294.483 2.950 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925649376 618399301 /nfs/dbraw/zinc/39/93/01/618399301.db2.gz JUOCYBWQEYGQTK-PIOWNMBXSA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000894154426 618401319 /nfs/dbraw/zinc/40/13/19/618401319.db2.gz XLPSLJPKHMISQR-KRWDZBQOSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1C ZINC000925657342 618412288 /nfs/dbraw/zinc/41/22/88/618412288.db2.gz NLRRQGSRZHSNHJ-SJORKVTESA-N 2 0 288.435 2.932 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000925660280 618419995 /nfs/dbraw/zinc/41/99/95/618419995.db2.gz KKJUZGQYLRTFJT-RBSFLKMASA-N 2 0 280.456 2.831 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000261764990 618422447 /nfs/dbraw/zinc/42/24/47/618422447.db2.gz OALFPJYSYZBYIG-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH3+])[C@H](NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000925662478 618426146 /nfs/dbraw/zinc/42/61/46/618426146.db2.gz IVBYHLIQXOWKTO-LTDKPHRXSA-N 2 0 287.451 2.681 20 0 CFADRP Cc1ccnc(N)c1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000894180742 618429504 /nfs/dbraw/zinc/42/95/04/618429504.db2.gz PPRWGMAJKKHPFP-AWEZNQCLSA-N 2 0 290.455 2.574 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894199652 618439105 /nfs/dbraw/zinc/43/91/05/618439105.db2.gz BEKJAAOTWWRADL-OAHLLOKOSA-N 2 0 287.451 2.866 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000925669810 618440203 /nfs/dbraw/zinc/44/02/03/618440203.db2.gz FJXRGFKGDSVAPB-UWVGGRQHSA-N 2 0 264.335 2.825 20 0 CFADRP FC1(F)CC(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925675226 618446966 /nfs/dbraw/zinc/44/69/66/618446966.db2.gz UWARRVWOXFPYMB-KBPBESRZSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1)[NH2+]2 ZINC000925678256 618456453 /nfs/dbraw/zinc/45/64/53/618456453.db2.gz UAEPXVKTOUILIX-LVXVEBQZSA-N 2 0 250.430 2.930 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925681781 618464447 /nfs/dbraw/zinc/46/44/47/618464447.db2.gz XSXGDTKVMXABNO-UTUOFQBUSA-N 2 0 296.377 2.840 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925682556 618465822 /nfs/dbraw/zinc/46/58/22/618465822.db2.gz CLYKFRIGQBFWJO-SYAUCNOPSA-N 2 0 250.430 2.790 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000895209694 618472557 /nfs/dbraw/zinc/47/25/57/618472557.db2.gz YOOREPVKCCEGJW-BMFZPTHFSA-N 2 0 258.409 2.646 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895290231 618512572 /nfs/dbraw/zinc/51/25/72/618512572.db2.gz DHKMDBYEDSAVTH-YCPHGPKFSA-N 2 0 264.413 2.692 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895290230 618512708 /nfs/dbraw/zinc/51/27/08/618512708.db2.gz DHKMDBYEDSAVTH-LZWOXQAQSA-N 2 0 264.413 2.692 20 0 CFADRP CSc1ccc(CNCC[C@H](C)[NH+](C)C)s1 ZINC000895294405 618513323 /nfs/dbraw/zinc/51/33/23/618513323.db2.gz VSICCFUZBXUYCC-JTQLQIEISA-N 2 0 258.456 2.900 20 0 CFADRP C[C@@H](CCNC/C=C\c1ccc(F)cc1F)[NH+](C)C ZINC000895294032 618513492 /nfs/dbraw/zinc/51/34/92/618513492.db2.gz NRZZLIJPHMINCE-RXNFCKPNSA-N 2 0 268.351 2.908 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895295035 618514952 /nfs/dbraw/zinc/51/49/52/618514952.db2.gz YNHBEWMHJVGJKB-ZIAGYGMSSA-N 2 0 292.423 2.666 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@H]1C[C@]1(C)Br ZINC000895305409 618521213 /nfs/dbraw/zinc/52/12/13/618521213.db2.gz XKHXAKFQWGVCJI-WZRBSPASSA-N 2 0 289.261 2.622 20 0 CFADRP C=Cn1cc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cn1 ZINC000895380751 618559523 /nfs/dbraw/zinc/55/95/23/618559523.db2.gz QAMDUDRHAHHNQQ-GDBMZVCRSA-N 2 0 276.428 2.536 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000895381996 618560279 /nfs/dbraw/zinc/56/02/79/618560279.db2.gz YSQMMDRBKRVAEP-OWCLPIDISA-N 2 0 266.429 2.731 20 0 CFADRP CCN1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924569410 618615651 /nfs/dbraw/zinc/61/56/51/618615651.db2.gz GZMDDRAKQRNMCB-OAHLLOKOSA-N 2 0 289.467 2.883 20 0 CFADRP CC[C@H](C[NH+]1CCCC1)Nc1cc(N)[nH+]cc1Cl ZINC000892559553 618633410 /nfs/dbraw/zinc/63/34/10/618633410.db2.gz OFBDOUYCYRXMRE-SNVBAGLBSA-N 2 0 268.792 2.604 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000926755108 618639754 /nfs/dbraw/zinc/63/97/54/618639754.db2.gz ULNWYGWYBUVPGZ-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)o1 ZINC000892585195 618643382 /nfs/dbraw/zinc/64/33/82/618643382.db2.gz RBGXVKCFMNLVMM-AWEZNQCLSA-N 2 0 280.412 2.890 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924576971 618644552 /nfs/dbraw/zinc/64/45/52/618644552.db2.gz GGTHCKRMTVHMFT-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000926769018 618654808 /nfs/dbraw/zinc/65/48/08/618654808.db2.gz YGDVUBOUDCDLFD-DLBZAZTESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892659295 618679923 /nfs/dbraw/zinc/67/99/23/618679923.db2.gz ZNLVONCGJYMFCZ-CYBMUJFWSA-N 2 0 280.387 2.524 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892668490 618687335 /nfs/dbraw/zinc/68/73/35/618687335.db2.gz MQFHDYLIXRMJJM-AWEZNQCLSA-N 2 0 282.378 2.829 20 0 CFADRP CC(C)[NH+](CCCNc1nccn2cncc12)C(C)C ZINC000892763155 618743154 /nfs/dbraw/zinc/74/31/54/618743154.db2.gz JXGREHAAXZSUHZ-UHFFFAOYSA-N 2 0 275.400 2.650 20 0 CFADRP CCOc1ccc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000892943562 618776523 /nfs/dbraw/zinc/77/65/23/618776523.db2.gz HYBIHCDSUUUATF-CQSZACIVSA-N 2 0 280.412 2.888 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(C)(C)CO ZINC000926887186 618793563 /nfs/dbraw/zinc/79/35/63/618793563.db2.gz GTPIWOPBIKZQGU-UQPPLGOBSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000893078987 618823054 /nfs/dbraw/zinc/82/30/54/618823054.db2.gz SWDHOSKIPQJTOT-CYBMUJFWSA-N 2 0 264.413 2.841 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccc(F)cc1 ZINC000893088576 618827046 /nfs/dbraw/zinc/82/70/46/618827046.db2.gz QQVMZASNCFRYBS-ZDUSSCGKSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1ccc(F)cc1 ZINC000893088575 618827150 /nfs/dbraw/zinc/82/71/50/618827150.db2.gz QQVMZASNCFRYBS-CYBMUJFWSA-N 2 0 280.387 2.524 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2SCCc3ccccc32)CC1 ZINC000893094484 618829083 /nfs/dbraw/zinc/82/90/83/618829083.db2.gz KBYVBRZRDQTFFW-QGZVFWFLSA-N 2 0 290.476 2.948 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000925510315 618847243 /nfs/dbraw/zinc/84/72/43/618847243.db2.gz UTRYOAZQIAJPEJ-IPELMVKDSA-N 2 0 297.446 2.967 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)C12CCC2 ZINC000925511070 618849128 /nfs/dbraw/zinc/84/91/28/618849128.db2.gz FOBZHIWPVXZCHR-YVSFHVDLSA-N 2 0 286.419 2.766 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925511703 618850416 /nfs/dbraw/zinc/85/04/16/618850416.db2.gz RSYGUUCBRULHCJ-QZTJIDSGSA-N 2 0 293.499 2.619 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925526277 618871669 /nfs/dbraw/zinc/87/16/69/618871669.db2.gz MITBFLLGWSMUOU-ZWKOTPCHSA-N 2 0 293.499 2.620 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccsc1 ZINC000925526931 618872369 /nfs/dbraw/zinc/87/23/69/618872369.db2.gz NFXYQYROSALMSF-QLFBSQMISA-N 2 0 295.496 2.846 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925527195 618873838 /nfs/dbraw/zinc/87/38/38/618873838.db2.gz MTKJZPJCCXFHRJ-HUUCEWRRSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]1[NH2+]CCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000925527340 618875204 /nfs/dbraw/zinc/87/52/04/618875204.db2.gz PNXLAGPMHLXXDD-CRAIPNDOSA-N 2 0 287.451 2.513 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(C)Cc3ccccc3C2)CC1 ZINC000893230010 618896577 /nfs/dbraw/zinc/89/65/77/618896577.db2.gz MICAVYPNYKLPRP-UHFFFAOYSA-N 2 0 272.436 2.723 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925540125 618898485 /nfs/dbraw/zinc/89/84/85/618898485.db2.gz AIKVVVTWIOXYPB-UYSNPLJNSA-N 3 0 279.472 2.514 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000925541398 618900281 /nfs/dbraw/zinc/90/02/81/618900281.db2.gz IGSLBDURIGZHFL-BACDZXNISA-N 3 0 291.483 2.643 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000925541399 618900413 /nfs/dbraw/zinc/90/04/13/618900413.db2.gz IGSLBDURIGZHFL-BHUNQDJPSA-N 3 0 291.483 2.643 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccccc32)C12CCC2 ZINC000925544219 618904457 /nfs/dbraw/zinc/90/44/57/618904457.db2.gz YUDPBNSZTRHVAJ-IMJJTQAJSA-N 2 0 272.392 2.760 20 0 CFADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCS1 ZINC000925550480 618911845 /nfs/dbraw/zinc/91/18/45/618911845.db2.gz AAPDTAWYSPEKJI-MBNYWOFBSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893267809 618918025 /nfs/dbraw/zinc/91/80/25/618918025.db2.gz NYZXMBTZGOVFMY-DYVFJYSZSA-N 2 0 294.414 2.569 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000925554698 618918468 /nfs/dbraw/zinc/91/84/68/618918468.db2.gz AZHSZATZYRIEST-RCCFBDPRSA-N 2 0 288.435 2.635 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194214670 618933375 /nfs/dbraw/zinc/93/33/75/618933375.db2.gz UYSCTMXBXBXZEG-OAGGEKHMSA-N 2 0 266.429 2.637 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194214464 618933459 /nfs/dbraw/zinc/93/34/59/618933459.db2.gz GPSWRAADLBGUIP-INIZCTEOSA-N 2 0 266.429 2.781 20 0 CFADRP COCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925690399 618934833 /nfs/dbraw/zinc/93/48/33/618934833.db2.gz KYMDZWCYOVAFMZ-SYNTWQANSA-N 2 0 294.483 2.950 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925690400 618934963 /nfs/dbraw/zinc/93/49/63/618934963.db2.gz KYMDZWCYOVAFMZ-XAWIXRBMSA-N 2 0 294.483 2.950 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925692286 618937402 /nfs/dbraw/zinc/93/74/02/618937402.db2.gz JNMXLOFAEVSEMD-XHSDSOJGSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H](CC[NH2+]C[C@@H]1CCC=CO1)[NH+]1CCCCC1 ZINC000194626051 618938609 /nfs/dbraw/zinc/93/86/09/618938609.db2.gz RFNCYMWWTTZGRB-GJZGRUSLSA-N 2 0 252.402 2.533 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695452 618945419 /nfs/dbraw/zinc/94/54/19/618945419.db2.gz RINFDAKLPXEOKJ-FVQBIDKESA-N 2 0 273.424 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000857066188 618952318 /nfs/dbraw/zinc/95/23/18/618952318.db2.gz YSPRLOPQLNJFDF-TUAOUCFPSA-N 2 0 279.255 2.890 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)C12CCC2 ZINC000925705762 618960281 /nfs/dbraw/zinc/96/02/81/618960281.db2.gz LRXJGEUBOISCBH-DLBZAZTESA-N 2 0 281.403 2.637 20 0 CFADRP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc(C)n1 ZINC000925706624 618961251 /nfs/dbraw/zinc/96/12/51/618961251.db2.gz NVJZEJDLGNVTHW-CABCVRRESA-N 2 0 261.413 2.694 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925706568 618961254 /nfs/dbraw/zinc/96/12/54/618961254.db2.gz LSPWGTODJWVONK-KGLIPLIRSA-N 2 0 290.455 2.683 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnn1CC1CCC1 ZINC000925707637 618962011 /nfs/dbraw/zinc/96/20/11/618962011.db2.gz MBKPPPKBHNBGRC-CQSZACIVSA-N 2 0 288.439 2.596 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ccccc1 ZINC000925708323 618962711 /nfs/dbraw/zinc/96/27/11/618962711.db2.gz KUXBPIQFKHDSMO-RRCSTGOVSA-N 2 0 262.397 2.622 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000925712384 618966470 /nfs/dbraw/zinc/96/64/70/618966470.db2.gz TZOGCROTSLBWQN-SJORKVTESA-N 3 0 275.440 2.588 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000925712382 618966576 /nfs/dbraw/zinc/96/65/76/618966576.db2.gz TZOGCROTSLBWQN-IAGOWNOFSA-N 3 0 275.440 2.588 20 0 CFADRP C1[C@@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C[C@H]12 ZINC000925712970 618967583 /nfs/dbraw/zinc/96/75/83/618967583.db2.gz QRUCMSKGCLTSLC-KSWRQPAISA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925713009 618967643 /nfs/dbraw/zinc/96/76/43/618967643.db2.gz RJDFWGRSRNCHLM-CYUUQNCZSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)F ZINC000925713858 618967883 /nfs/dbraw/zinc/96/78/83/618967883.db2.gz VHRVWWZDFRRJLI-LFSVMHDDSA-N 2 0 260.372 2.644 20 0 CFADRP Nc1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925714688 618970977 /nfs/dbraw/zinc/97/09/77/618970977.db2.gz UUOOMVJSIFTWGN-QGZVFWFLSA-N 2 0 269.392 2.839 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C12CCC2 ZINC000925721460 618980391 /nfs/dbraw/zinc/98/03/91/618980391.db2.gz CIQVSXVLZMPLQG-NXOAAHMSSA-N 2 0 286.419 2.624 20 0 CFADRP Cc1ccccc1CCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257643237 618984642 /nfs/dbraw/zinc/98/46/42/618984642.db2.gz BKVIHRDRCHRYBU-KRWDZBQOSA-N 2 0 258.409 2.756 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000093450743 619024061 /nfs/dbraw/zinc/02/40/61/619024061.db2.gz GOIWEAVWGOXRRE-ZACQAIPSSA-N 2 0 281.488 2.616 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450777 619024301 /nfs/dbraw/zinc/02/43/01/619024301.db2.gz ROLNCZADCLAMBQ-BBWFWOEESA-N 2 0 276.399 2.879 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccccc1 ZINC000093521197 619034966 /nfs/dbraw/zinc/03/49/66/619034966.db2.gz AEUNWRGTQDIMQL-PVAVHDDUSA-N 2 0 276.424 2.620 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925731347 619036197 /nfs/dbraw/zinc/03/61/97/619036197.db2.gz ASDYNJFQEABZGG-PLQZLIEUSA-N 3 0 293.499 2.616 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925731346 619036269 /nfs/dbraw/zinc/03/62/69/619036269.db2.gz ASDYNJFQEABZGG-OWQJAQGESA-N 3 0 293.499 2.616 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925731623 619038245 /nfs/dbraw/zinc/03/82/45/619038245.db2.gz MCUDRUROCBCUBS-XGUBFFRZSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H](C[N@H+](C)CC1CC[NH+](C)CC1)c1nccs1 ZINC000893536599 619043050 /nfs/dbraw/zinc/04/30/50/619043050.db2.gz WWPVDWJHBQRNMS-LBPRGKRZSA-N 2 0 267.442 2.520 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C12CCC2 ZINC000925737226 619046750 /nfs/dbraw/zinc/04/67/50/619046750.db2.gz QBTAEYWFTYAOBH-TUAOUCFPSA-N 2 0 258.356 2.671 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925738150 619048538 /nfs/dbraw/zinc/04/85/38/619048538.db2.gz VZHWGAIKQZVVJF-HZPDHXFCSA-N 2 0 274.408 2.932 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H](C)[C@H]1OC ZINC000925740661 619050990 /nfs/dbraw/zinc/05/09/90/619050990.db2.gz KKRZJZDGEVEDCF-YNEHKIRRSA-N 2 0 256.434 2.543 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCOC1 ZINC000925766964 619077748 /nfs/dbraw/zinc/07/77/48/619077748.db2.gz DJNQSNWJKHQBTD-BARDWOONSA-N 2 0 268.445 2.687 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000314419048 619078220 /nfs/dbraw/zinc/07/82/20/619078220.db2.gz YRYWURGSYDIPBA-MRXNPFEDSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925773224 619089507 /nfs/dbraw/zinc/08/95/07/619089507.db2.gz AIKSRTOHUOJRGQ-ZNMIVQPWSA-N 2 0 266.429 2.585 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925779747 619101878 /nfs/dbraw/zinc/10/18/78/619101878.db2.gz ZLPUZFMBUXODDE-STQMWFEESA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000925783725 619108569 /nfs/dbraw/zinc/10/85/69/619108569.db2.gz KTIVIWWYUCZETC-GDBMZVCRSA-N 2 0 295.515 2.863 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094371270 619115256 /nfs/dbraw/zinc/11/52/56/619115256.db2.gz ZJUVPGITDJTBNF-HZPDHXFCSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccnc(Cl)c1 ZINC000925797467 619119408 /nfs/dbraw/zinc/11/94/08/619119408.db2.gz HMGKRRZZCWTXOM-NQBHXWOUSA-N 2 0 267.804 2.631 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000925798594 619120114 /nfs/dbraw/zinc/12/01/14/619120114.db2.gz LVRBBBDWVHTRNJ-IJLUTSLNSA-N 2 0 268.351 2.861 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)c(F)c1 ZINC000925798570 619120117 /nfs/dbraw/zinc/12/01/17/619120117.db2.gz LQPQBPJUZRHKFW-NQBHXWOUSA-N 2 0 268.351 2.861 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799886 619121224 /nfs/dbraw/zinc/12/12/24/619121224.db2.gz OVPXHLMQFSQZJF-RBSFLKMASA-N 2 0 276.424 2.900 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1nccn1C ZINC000925808764 619127756 /nfs/dbraw/zinc/12/77/56/619127756.db2.gz PBAYNEJABDXKOV-CQSZACIVSA-N 2 0 278.444 2.631 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C(C)(C)C ZINC000925811243 619129847 /nfs/dbraw/zinc/12/98/47/619129847.db2.gz ZGFBRQQIRXNHHX-OAHLLOKOSA-N 2 0 289.467 2.616 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3ncccc3c2)C12CCC2 ZINC000925815320 619134058 /nfs/dbraw/zinc/13/40/58/619134058.db2.gz WFDVLJZDVYKPAS-SJORKVTESA-N 2 0 281.403 2.637 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)nc1 ZINC000925819840 619140206 /nfs/dbraw/zinc/14/02/06/619140206.db2.gz CEYSTZQLBVJEPK-KCYZZUKISA-N 2 0 271.408 2.510 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925821237 619141578 /nfs/dbraw/zinc/14/15/78/619141578.db2.gz FXDZAXMTRZVZQS-MGKYKELXSA-N 2 0 258.409 2.579 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925822337 619142913 /nfs/dbraw/zinc/14/29/13/619142913.db2.gz LLOJECDWZDMKGX-CGZBRXJRSA-N 3 0 291.483 2.658 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000925834362 619165703 /nfs/dbraw/zinc/16/57/03/619165703.db2.gz WAGSHUVGTKMUCF-STQMWFEESA-N 2 0 262.397 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000261589903 619173698 /nfs/dbraw/zinc/17/36/98/619173698.db2.gz WQJQVMHQUZISLF-AWEZNQCLSA-N 2 0 264.438 2.756 20 0 CFADRP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccsc1 ZINC000925846118 619178020 /nfs/dbraw/zinc/17/80/20/619178020.db2.gz KEFUVGCFRUORLU-MRXNPFEDSA-N 2 0 295.496 2.864 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846946 619179409 /nfs/dbraw/zinc/17/94/09/619179409.db2.gz PWFLZAZANOQNSG-IRXDYDNUSA-N 2 0 299.478 2.570 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925849315 619182173 /nfs/dbraw/zinc/18/21/73/619182173.db2.gz OWWIPJTWOJITJB-KRWDZBQOSA-N 2 0 289.467 2.721 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261641255 619183849 /nfs/dbraw/zinc/18/38/49/619183849.db2.gz WZYKYQLDPNBCRM-CABCVRRESA-N 2 0 262.397 2.784 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925860748 619187209 /nfs/dbraw/zinc/18/72/09/619187209.db2.gz KQZOTSHTODTGMG-RRCSTGOVSA-N 2 0 278.465 2.819 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861680 619187558 /nfs/dbraw/zinc/18/75/58/619187558.db2.gz RUFOVVOQAKYLQP-MCIONIFRSA-N 2 0 268.470 2.925 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCS2 ZINC000925860935 619187622 /nfs/dbraw/zinc/18/76/22/619187622.db2.gz MIMCNOBYZOPIJH-STQMWFEESA-N 2 0 254.443 2.536 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925861436 619188092 /nfs/dbraw/zinc/18/80/92/619188092.db2.gz PSPPIKRWDZNPMT-RDBSUJKOSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCS1 ZINC000925862069 619188628 /nfs/dbraw/zinc/18/86/28/619188628.db2.gz XFRGAHAFEZBCEB-XQHKEYJVSA-N 2 0 256.459 2.766 20 0 CFADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3CCCCC[C@H]3[NH3+])C2)n1 ZINC000925873521 619194352 /nfs/dbraw/zinc/19/43/52/619194352.db2.gz RIPBTIZNEWXDNJ-RQJABVFESA-N 2 0 292.427 2.518 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccnc1Cl ZINC000925875680 619196229 /nfs/dbraw/zinc/19/62/29/619196229.db2.gz LWBDZIGZESMXQV-AXFHLTTASA-N 2 0 253.777 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000925876728 619197146 /nfs/dbraw/zinc/19/71/46/619197146.db2.gz GMTOUXQJOKTOKA-UMNHJUIQSA-N 2 0 254.324 2.743 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925879370 619199435 /nfs/dbraw/zinc/19/94/35/619199435.db2.gz BYOGIDVXTVAHOA-ORAAPJFESA-N 2 0 288.435 2.904 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(C)c1OC ZINC000925879839 619200416 /nfs/dbraw/zinc/20/04/16/619200416.db2.gz DMUYDRGKAXHCMX-GFCCVEGCSA-N 2 0 280.412 2.619 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880299 619200445 /nfs/dbraw/zinc/20/04/45/619200445.db2.gz IQDLGYXHRIDQFH-SIXLDLHFSA-N 2 0 258.409 2.725 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000925879752 619200451 /nfs/dbraw/zinc/20/04/51/619200451.db2.gz JUHOXDBOQKCUQD-UHOFOFEASA-N 2 0 290.407 2.641 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C1CCC(F)(F)CC1 ZINC000925883011 619202721 /nfs/dbraw/zinc/20/27/21/619202721.db2.gz RCNNESFFVDSRNL-WZRBSPASSA-N 2 0 260.372 2.917 20 0 CFADRP COC1CCC(C[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000894230349 619272687 /nfs/dbraw/zinc/27/26/87/619272687.db2.gz DRCGWSNYXPOPHX-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000924960401 619303647 /nfs/dbraw/zinc/30/36/47/619303647.db2.gz QLZJBPULPPMKKK-KURKYZTESA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000924960684 619304038 /nfs/dbraw/zinc/30/40/38/619304038.db2.gz QQVGCBTUKWRGAQ-OLZOCXBDSA-N 2 0 258.837 2.856 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924964161 619306592 /nfs/dbraw/zinc/30/65/92/619306592.db2.gz JKPCGYAGIPENIC-HOTGVXAUSA-N 2 0 283.504 2.529 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924986338 619318041 /nfs/dbraw/zinc/31/80/41/619318041.db2.gz KFXCLCDFOALGOP-CZUORRHYSA-N 2 0 262.397 2.578 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000924988532 619319049 /nfs/dbraw/zinc/31/90/49/619319049.db2.gz BKRIXJBVUMIDNM-YJBOKZPZSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000894328818 619335663 /nfs/dbraw/zinc/33/56/63/619335663.db2.gz NLNYPOBROYVSJO-MRXNPFEDSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414908171 619338837 /nfs/dbraw/zinc/33/88/37/619338837.db2.gz BCKRQIUBDAKVKC-WDEREUQCSA-N 2 0 253.415 2.626 20 0 CFADRP CCCCN(C)CC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000925037751 619352620 /nfs/dbraw/zinc/35/26/20/619352620.db2.gz AIQWWACHBBNWNE-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894375742 619356980 /nfs/dbraw/zinc/35/69/80/619356980.db2.gz NPMKVJQXIVGJGK-QZTJIDSGSA-N 2 0 295.515 2.820 20 0 CFADRP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925047154 619357409 /nfs/dbraw/zinc/35/74/09/619357409.db2.gz VMBCDPOYYKOFEX-MRXNPFEDSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000261976401 619357449 /nfs/dbraw/zinc/35/74/49/619357449.db2.gz QUTXJRPWHXCUGB-NWDGAFQWSA-N 2 0 252.789 2.724 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]CCC2CCCCC2)CC1 ZINC000894378072 619358310 /nfs/dbraw/zinc/35/83/10/619358310.db2.gz LJTGMVYDEBCOSU-UHFFFAOYSA-N 2 0 281.488 2.574 20 0 CFADRP CC(C)CCCC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000894457927 619390289 /nfs/dbraw/zinc/39/02/89/619390289.db2.gz JDMSTJRKDKBDHR-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000894455442 619390857 /nfs/dbraw/zinc/39/08/57/619390857.db2.gz KJEIKEHFVCGCDX-ZIAGYGMSSA-N 2 0 258.475 2.838 20 0 CFADRP C[NH+]1CCC(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)CC1 ZINC000894530490 619411040 /nfs/dbraw/zinc/41/10/40/619411040.db2.gz VUHLODUGEQSHGO-GOSISDBHSA-N 2 0 299.462 2.813 20 0 CFADRP CC(C)Cc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000894593106 619427468 /nfs/dbraw/zinc/42/74/68/619427468.db2.gz IBMRRPPJJMJYQD-GOSISDBHSA-N 2 0 287.451 2.808 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894667779 619438991 /nfs/dbraw/zinc/43/89/91/619438991.db2.gz NCTLZZZSKLRMTG-WODVXLOZSA-N 2 0 294.361 2.559 20 0 CFADRP C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894706913 619448761 /nfs/dbraw/zinc/44/87/61/619448761.db2.gz ITKDSRXVPVYITI-WCQYABFASA-N 2 0 278.362 2.991 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000894731709 619452201 /nfs/dbraw/zinc/45/22/01/619452201.db2.gz UJJFOKBKGZHEQN-DGCLKSJQSA-N 2 0 291.277 2.870 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000894773798 619460984 /nfs/dbraw/zinc/46/09/84/619460984.db2.gz XWXXYZLSZICYNG-HNNXBMFYSA-N 2 0 268.470 2.547 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCCC(C)C)CC1 ZINC000894780249 619465316 /nfs/dbraw/zinc/46/53/16/619465316.db2.gz BLJKXIIVUNGJEM-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000894801371 619469788 /nfs/dbraw/zinc/46/97/88/619469788.db2.gz IAPXNHSJKWEOCQ-HNNXBMFYSA-N 2 0 296.480 2.739 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000894978383 619520942 /nfs/dbraw/zinc/52/09/42/619520942.db2.gz XVXUJYMJUXVKQR-ZDUSSCGKSA-N 2 0 278.362 2.993 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@](C)(OC)C2CC2)CC1 ZINC000895822136 619614984 /nfs/dbraw/zinc/61/49/84/619614984.db2.gz KRCYUDIXSBTKAH-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccnc1 ZINC000896717709 619797214 /nfs/dbraw/zinc/79/72/14/619797214.db2.gz WFIDAZFUFLHNFK-BSWAZPDLSA-N 2 0 273.424 2.853 20 0 CFADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000909607415 619996295 /nfs/dbraw/zinc/99/62/95/619996295.db2.gz ZLRBGBXCRLUIDX-INIZCTEOSA-N 2 0 291.439 2.581 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccnc(Cl)c2)C1 ZINC000163275675 620005731 /nfs/dbraw/zinc/00/57/31/620005731.db2.gz YJKHATGXEFTCTD-NWDGAFQWSA-N 2 0 267.804 2.727 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000925191285 620015803 /nfs/dbraw/zinc/01/58/03/620015803.db2.gz MOZGAGLTRBAOFB-INIZCTEOSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)C(C)(C)CO)[N@H+](C)Cc1ccccc1 ZINC000925209863 620024582 /nfs/dbraw/zinc/02/45/82/620024582.db2.gz UKTDRBZUJCZISL-CVEARBPZSA-N 2 0 292.467 2.894 20 0 CFADRP COC1(OC)CC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925228823 620048204 /nfs/dbraw/zinc/04/82/04/620048204.db2.gz JVMXPPMHRSVSOF-GPANFISMSA-N 2 0 296.455 2.525 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccn1)c1cccc2c1OCO2 ZINC000925231025 620053747 /nfs/dbraw/zinc/05/37/47/620053747.db2.gz GONDWVIDDDOQJI-ZDUSSCGKSA-N 2 0 299.374 2.963 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCOC2(CCCC2)C1)C(C)C ZINC000872031253 620079809 /nfs/dbraw/zinc/07/98/09/620079809.db2.gz NKILJZDLABBIFB-OAHLLOKOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(C[NH+](C)C)c1 ZINC000925266048 620109533 /nfs/dbraw/zinc/10/95/33/620109533.db2.gz WLBOKBDVHIAKFV-GUYCJALGSA-N 2 0 298.434 2.679 20 0 CFADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000897439246 620171163 /nfs/dbraw/zinc/17/11/63/620171163.db2.gz SFZDSUDMWKGWEB-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CCc1cccc(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261821154 620224079 /nfs/dbraw/zinc/22/40/79/620224079.db2.gz IHZMAGGSPGJYQU-LLVKDONJSA-N 2 0 252.789 2.683 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925304049 620239278 /nfs/dbraw/zinc/23/92/78/620239278.db2.gz QAKCAPLMEDLAGI-HZPDHXFCSA-N 2 0 268.445 2.510 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621869 620261285 /nfs/dbraw/zinc/26/12/85/620261285.db2.gz XGOMFGQDLUENSD-MWDXBVQZSA-N 2 0 262.441 2.862 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCS1 ZINC000897796922 620286817 /nfs/dbraw/zinc/28/68/17/620286817.db2.gz AQGSZGFINVZDBZ-BFHYXJOUSA-N 2 0 268.470 2.877 20 0 CFADRP C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000897817800 620289563 /nfs/dbraw/zinc/28/95/63/620289563.db2.gz BOIMWJYRWFPZQK-WKULXVSPSA-N 2 0 290.451 2.549 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000897849646 620293801 /nfs/dbraw/zinc/29/38/01/620293801.db2.gz YGCLRJGAOWIAAT-WNPMLKKVSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCN1CCC(C)(C)C1 ZINC000898033817 620326838 /nfs/dbraw/zinc/32/68/38/620326838.db2.gz DCIIBVKQFVRUHX-AWEZNQCLSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cnn(CC2CCC2)c1 ZINC000898182837 620348362 /nfs/dbraw/zinc/34/83/62/620348362.db2.gz GQTXAELNQTVQPS-AWEZNQCLSA-N 2 0 290.455 2.676 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCCCC1 ZINC000898261598 620360241 /nfs/dbraw/zinc/36/02/41/620360241.db2.gz TWBFJADAQAYCIY-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC000898322927 620366342 /nfs/dbraw/zinc/36/63/42/620366342.db2.gz UVHJFEGDJOAQBX-KRWDZBQOSA-N 2 0 273.424 2.997 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000898307413 620369925 /nfs/dbraw/zinc/36/99/25/620369925.db2.gz BKVFRWRWNOQJSV-HUUCEWRRSA-N 2 0 270.461 2.711 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccncc2)C2CC2)CC1(C)C ZINC000898317576 620372170 /nfs/dbraw/zinc/37/21/70/620372170.db2.gz JKPBVHXOSRDBIS-HOTGVXAUSA-N 2 0 273.424 2.995 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000866470343 620407740 /nfs/dbraw/zinc/40/77/40/620407740.db2.gz WEGBCBNQZIDLOL-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000866708680 620416203 /nfs/dbraw/zinc/41/62/03/620416203.db2.gz SSBWQPHNVWIWFC-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C1CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000924634679 620426880 /nfs/dbraw/zinc/42/68/80/620426880.db2.gz ZXCQLWBMWSALKO-IAGOWNOFSA-N 2 0 295.515 2.673 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924672607 620437579 /nfs/dbraw/zinc/43/75/79/620437579.db2.gz UMVPXGYKZQVRSB-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924672605 620437612 /nfs/dbraw/zinc/43/76/12/620437612.db2.gz UMVPXGYKZQVRSB-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924681070 620439363 /nfs/dbraw/zinc/43/93/63/620439363.db2.gz LEGUNFPXXPZFRD-ROUUACIJSA-N 2 0 293.499 2.713 20 0 CFADRP CCC[C@H](O)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000927020171 620440429 /nfs/dbraw/zinc/44/04/29/620440429.db2.gz IEYWVBOPPMUSSP-CGZBRXJRSA-N 2 0 282.472 2.924 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000924689382 620441434 /nfs/dbraw/zinc/44/14/34/620441434.db2.gz XAWCUCDOFUMEFS-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@H]2CCC[C@H]21 ZINC000927062115 620447274 /nfs/dbraw/zinc/44/72/74/620447274.db2.gz WJDXGDJZMLMSEA-YYIAUSFCSA-N 2 0 285.435 2.921 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC000924706812 620447494 /nfs/dbraw/zinc/44/74/94/620447494.db2.gz KAWIWBIIIPWWCM-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC000054601509 620454616 /nfs/dbraw/zinc/45/46/16/620454616.db2.gz IZTIZYGGGPPQQX-YHWZYXNKSA-N 2 0 250.411 2.635 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCOc2cccc(F)c2)CC1 ZINC000898444249 620465694 /nfs/dbraw/zinc/46/56/94/620465694.db2.gz ICGAMYYATFPZHY-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000902078207 620969669 /nfs/dbraw/zinc/96/96/69/620969669.db2.gz KNQPZHVZLRBYLI-HNNXBMFYSA-N 2 0 275.440 2.940 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000902066108 620973555 /nfs/dbraw/zinc/97/35/55/620973555.db2.gz NHNSDEHHUZPJNT-HNNXBMFYSA-N 2 0 278.444 2.647 20 0 CFADRP C[NH+](C)CCCN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902315379 621031060 /nfs/dbraw/zinc/03/10/60/621031060.db2.gz BGQYFHDXMTXELG-MRXNPFEDSA-N 2 0 299.409 2.676 20 0 CFADRP Cc1ccccc1CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326000 621036797 /nfs/dbraw/zinc/03/67/97/621036797.db2.gz BHEYSBRYEYCNEH-INIZCTEOSA-N 2 0 260.425 2.905 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902328377 621037628 /nfs/dbraw/zinc/03/76/28/621037628.db2.gz JHMYYIUBHNHFJP-RISCZKNCSA-N 2 0 279.428 2.590 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000902334207 621040477 /nfs/dbraw/zinc/04/04/77/621040477.db2.gz OZROWGHSUFLTTF-CABCVRRESA-N 2 0 296.842 2.741 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336966 621041791 /nfs/dbraw/zinc/04/17/91/621041791.db2.gz HDJJUHFJMILDHW-AWEZNQCLSA-N 2 0 279.428 2.592 20 0 CFADRP CCCCn1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000902367672 621043501 /nfs/dbraw/zinc/04/35/01/621043501.db2.gz DZAPPEXEIVJPTL-MRXNPFEDSA-N 2 0 292.471 2.859 20 0 CFADRP C[C@H](CCN[C@H]1CC[NH2+]CC(C)(C)C1)[NH+]1CCCCC1 ZINC000902374485 621045790 /nfs/dbraw/zinc/04/57/90/621045790.db2.gz MYIMMPMYHOKTIJ-CVEARBPZSA-N 2 0 281.488 2.619 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCNc2cccc(F)c2)C1 ZINC000902375229 621046305 /nfs/dbraw/zinc/04/63/05/621046305.db2.gz ULNUYAAHCBXMOH-INIZCTEOSA-N 2 0 293.430 2.996 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)sc1C ZINC000902350667 621048267 /nfs/dbraw/zinc/04/82/67/621048267.db2.gz UUPVPULSTXLDST-CYBMUJFWSA-N 2 0 281.469 2.670 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)C1 ZINC000902359796 621052180 /nfs/dbraw/zinc/05/21/80/621052180.db2.gz IAOGVXXQCLLUHU-DLBZAZTESA-N 2 0 290.451 2.868 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000902361858 621052986 /nfs/dbraw/zinc/05/29/86/621052986.db2.gz MQGPBLSPFUCLLK-NWDGAFQWSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362886 621053691 /nfs/dbraw/zinc/05/36/91/621053691.db2.gz SVASNEORBRGFPG-OIISXLGYSA-N 2 0 290.451 2.519 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365284 621054458 /nfs/dbraw/zinc/05/44/58/621054458.db2.gz YLLHQUFTBHDRFG-FZMZJTMJSA-N 2 0 279.428 2.763 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365287 621054557 /nfs/dbraw/zinc/05/45/57/621054557.db2.gz YLLHQUFTBHDRFG-RISCZKNCSA-N 2 0 279.428 2.763 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC23CCOCC3)C1 ZINC000902405924 621055092 /nfs/dbraw/zinc/05/50/92/621055092.db2.gz LZYNFYHZWIEZRR-CABCVRRESA-N 2 0 280.456 2.561 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000902384581 621059627 /nfs/dbraw/zinc/05/96/27/621059627.db2.gz NKMFYOFSBVBLAA-KGLIPLIRSA-N 2 0 274.408 2.530 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000902389369 621061242 /nfs/dbraw/zinc/06/12/42/621061242.db2.gz UAMPPWHPHNVABT-MRXNPFEDSA-N 3 0 281.488 2.620 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902388233 621061612 /nfs/dbraw/zinc/06/16/12/621061612.db2.gz NXJKDFIKSFXYGI-IAGOWNOFSA-N 2 0 290.451 2.612 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C2 ZINC000902389489 621062222 /nfs/dbraw/zinc/06/22/22/621062222.db2.gz USMUWLKIWJCJEO-JKSUJKDBSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CO1 ZINC000902392776 621063547 /nfs/dbraw/zinc/06/35/47/621063547.db2.gz LZSHBQWQEPYEMJ-PVXIVEMSSA-N 2 0 298.377 2.902 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393661 621063741 /nfs/dbraw/zinc/06/37/41/621063741.db2.gz SZNWKMJXFSXASQ-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H]2CNc3ccccc32)C1 ZINC000902394848 621063886 /nfs/dbraw/zinc/06/38/86/621063886.db2.gz DYIOJOLUOHEUTB-GJZGRUSLSA-N 2 0 287.451 2.954 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CO2 ZINC000902398460 621066092 /nfs/dbraw/zinc/06/60/92/621066092.db2.gz PRJUXWQUBFBYDK-LSDHHAIUSA-N 2 0 288.435 2.666 20 0 CFADRP CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000902398936 621066660 /nfs/dbraw/zinc/06/66/60/621066660.db2.gz MGYPDIMDQINLCV-JKSUJKDBSA-N 2 0 293.499 2.761 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1(F)F ZINC000902400994 621067534 /nfs/dbraw/zinc/06/75/34/621067534.db2.gz ZCPNUMYIKOMWBV-GHMZBOCLSA-N 2 0 260.372 2.646 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)C1 ZINC000902400852 621067573 /nfs/dbraw/zinc/06/75/73/621067573.db2.gz WMKLMTQVVBSFGL-GOEBONIOSA-N 2 0 273.424 2.624 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902402727 621068251 /nfs/dbraw/zinc/06/82/51/621068251.db2.gz DPMKZDRLKPQTIG-UPTPFMHGSA-N 3 0 293.499 2.761 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCOC1 ZINC000902402004 621068296 /nfs/dbraw/zinc/06/82/96/621068296.db2.gz HPBXPQSUZOHJEL-KKUMJFAQSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000902402900 621068696 /nfs/dbraw/zinc/06/86/96/621068696.db2.gz PBYKFKYOQZAUCE-LJISPDSOSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000902403552 621068889 /nfs/dbraw/zinc/06/88/89/621068889.db2.gz ILEFVECDTMOIKW-VDNDLQMASA-N 2 0 286.419 2.660 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000902428329 621075433 /nfs/dbraw/zinc/07/54/33/621075433.db2.gz BYIBWFMSCYMBTD-CWQOZTLDSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000902429248 621076141 /nfs/dbraw/zinc/07/61/41/621076141.db2.gz CSGPUECIOQAONX-RDBSUJKOSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)C1CCOCC1 ZINC000902429709 621076809 /nfs/dbraw/zinc/07/68/09/621076809.db2.gz FSHDGPGKHUPMIJ-CYBMUJFWSA-N 2 0 256.434 2.546 20 0 CFADRP CC1(C)CC[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCCC3)OC1 ZINC000902431170 621077191 /nfs/dbraw/zinc/07/71/91/621077191.db2.gz SAZZAJVZCNGZLA-GJZGRUSLSA-N 2 0 280.456 2.846 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCOCC1 ZINC000902430390 621077209 /nfs/dbraw/zinc/07/72/09/621077209.db2.gz IUDVQSWQIYWYHP-HNNXBMFYSA-N 2 0 282.472 2.807 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000902432216 621077601 /nfs/dbraw/zinc/07/76/01/621077601.db2.gz WAAOQVAPPLLFBY-FPMFFAJLSA-N 2 0 294.826 2.826 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000902433247 621078339 /nfs/dbraw/zinc/07/83/39/621078339.db2.gz ZJPXONWOLKFPRO-SJWGOKEGSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1([NH3+])CC1 ZINC000902413383 621083557 /nfs/dbraw/zinc/08/35/57/621083557.db2.gz LAAJAZDPNLGKMS-AWEZNQCLSA-N 2 0 264.438 2.884 20 0 CFADRP C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2c(c1)CCC2 ZINC000902473173 621085675 /nfs/dbraw/zinc/08/56/75/621085675.db2.gz TUMPFBFOCPKFIH-RGXXSHLXSA-N 2 0 256.393 2.719 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902476247 621087557 /nfs/dbraw/zinc/08/75/57/621087557.db2.gz NTZBOFLVDXQZIL-OBVSXPTNSA-N 2 0 270.420 2.880 20 0 CFADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000902447289 621089649 /nfs/dbraw/zinc/08/96/49/621089649.db2.gz YJUZFSGSCNRJLT-VQXHTEKXSA-N 2 0 264.335 2.695 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902453419 621092956 /nfs/dbraw/zinc/09/29/56/621092956.db2.gz CPVFFKGMQXYNNH-AVGNSLFASA-N 2 0 260.372 2.919 20 0 CFADRP FC1(F)CC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000902453416 621093256 /nfs/dbraw/zinc/09/32/56/621093256.db2.gz CPANNPZOCPTMBW-YIYPIFLZSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@H]([NH2+]CCC1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]1 ZINC000902453701 621093316 /nfs/dbraw/zinc/09/33/16/621093316.db2.gz DXBYKLOWZMGYPK-AAEUAGOBSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCS1 ZINC000902454757 621093587 /nfs/dbraw/zinc/09/35/87/621093587.db2.gz VAUSZAVLOQBUAM-REWJHTLYSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000902456457 621094299 /nfs/dbraw/zinc/09/42/99/621094299.db2.gz PAFLWLDAFDPKDI-NSHDSACASA-N 2 0 253.390 2.579 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464986 621098093 /nfs/dbraw/zinc/09/80/93/621098093.db2.gz GHPCNIYFVAVECU-ZRUFSTJUSA-N 2 0 250.308 2.590 20 0 CFADRP CCNc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000902466218 621099462 /nfs/dbraw/zinc/09/94/62/621099462.db2.gz KFEHWUOJNBBHOY-UHFFFAOYSA-N 2 0 275.440 2.940 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1Cl ZINC000902490981 621102292 /nfs/dbraw/zinc/10/22/92/621102292.db2.gz ZVBXVOLKSUDPAL-FXPVBKGRSA-N 2 0 256.752 2.867 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000902512254 621108656 /nfs/dbraw/zinc/10/86/56/621108656.db2.gz HHCYUPLIBFEDGL-YOEHRIQHSA-N 2 0 275.440 2.833 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000902483725 621110328 /nfs/dbraw/zinc/11/03/28/621110328.db2.gz AHTZQIJRYPQLSP-GLXFQSAKSA-N 2 0 299.340 2.805 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Br)cs1 ZINC000902486352 621111549 /nfs/dbraw/zinc/11/15/49/621111549.db2.gz QIHMLSXCROEKOM-NQMVMOMDSA-N 2 0 289.242 2.899 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]1OCc1ccccc1 ZINC000902486349 621111572 /nfs/dbraw/zinc/11/15/72/621111572.db2.gz QHRYETGTOQBETA-VQHPVUNQSA-N 2 0 288.435 2.697 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1sccc1Br ZINC000902485556 621111573 /nfs/dbraw/zinc/11/15/73/621111573.db2.gz AJTFSCDMXBCVGB-CIUDSAMLSA-N 2 0 289.242 2.899 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000902485953 621111735 /nfs/dbraw/zinc/11/17/35/621111735.db2.gz CWPGHFXGBCTVGA-MJVIPROJSA-N 2 0 280.799 2.881 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000902486936 621111972 /nfs/dbraw/zinc/11/19/72/621111972.db2.gz FJTIZUUVACSGSB-DCGLDWPTSA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000902487286 621112124 /nfs/dbraw/zinc/11/21/24/621112124.db2.gz SOEXDMSDVVMELX-GAJTVXKRSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487259 621112273 /nfs/dbraw/zinc/11/22/73/621112273.db2.gz SJCAJDXHRDRIMC-MJVIPROJSA-N 2 0 268.351 2.613 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000902487526 621112390 /nfs/dbraw/zinc/11/23/90/621112390.db2.gz IJKHFHMQFXHLNQ-GAJTVXKRSA-N 2 0 295.224 2.763 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000902487461 621112763 /nfs/dbraw/zinc/11/27/63/621112763.db2.gz GXFDZWYDLCMQPD-CHIMOYNISA-N 2 0 254.324 2.743 20 0 CFADRP c1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)ccn1 ZINC000902513944 621115192 /nfs/dbraw/zinc/11/51/92/621115192.db2.gz JDHLRJSUUBDAPK-YYIAUSFCSA-N 2 0 271.408 2.510 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518941 621115845 /nfs/dbraw/zinc/11/58/45/621115845.db2.gz UWNUNWQGFGLDJA-HZPDHXFCSA-N 2 0 280.387 2.844 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000902526835 621117813 /nfs/dbraw/zinc/11/78/13/621117813.db2.gz AIFFCDFQYULBAY-HUUCEWRRSA-N 2 0 293.455 2.945 20 0 CFADRP CNc1ccccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000902583993 621131159 /nfs/dbraw/zinc/13/11/59/621131159.db2.gz IFZXPWUYRNTLQJ-UHFFFAOYSA-N 2 0 263.429 2.938 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000902756371 621165615 /nfs/dbraw/zinc/16/56/15/621165615.db2.gz XNZGHOYZCMFXEI-SJORKVTESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902794864 621179056 /nfs/dbraw/zinc/17/90/56/621179056.db2.gz ZMTFQXOXYIOFMZ-RHSMWYFYSA-N 2 0 288.435 2.558 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902820222 621181574 /nfs/dbraw/zinc/18/15/74/621181574.db2.gz PJMSLNGZESDHRV-QXDIGNSFSA-N 2 0 292.467 2.512 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000903017989 621222413 /nfs/dbraw/zinc/22/24/13/621222413.db2.gz VBHISQWXGWIROR-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP COC(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000902999463 621225046 /nfs/dbraw/zinc/22/50/46/621225046.db2.gz OWZJEZKJUKCBBS-OCCSQVGLSA-N 2 0 292.423 2.630 20 0 CFADRP C(CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)CC[NH+]1CCCC1 ZINC000903001886 621226126 /nfs/dbraw/zinc/22/61/26/621226126.db2.gz ZDRDCHRHSMHINN-QXDIGNSFSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1COc2ccccc2C1 ZINC000903042451 621232425 /nfs/dbraw/zinc/23/24/25/621232425.db2.gz CQYLEIWVCQROJZ-NXNVCVFFSA-N 2 0 288.435 2.556 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903062763 621237824 /nfs/dbraw/zinc/23/78/24/621237824.db2.gz XHGAADJDTCYXNX-WPXLMEDKSA-N 2 0 274.408 2.958 20 0 CFADRP CCCn1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1 ZINC000903081981 621245939 /nfs/dbraw/zinc/24/59/39/621245939.db2.gz QFSUJVNZMJQHTG-HLIUYOAVSA-N 2 0 293.459 2.602 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H]1C ZINC000903090951 621248895 /nfs/dbraw/zinc/24/88/95/621248895.db2.gz JWSCVTZRBKCLMI-XDNAFOTISA-N 2 0 295.515 2.674 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCC[C@@H]3OCC[C@H]31)C2 ZINC000903112301 621255866 /nfs/dbraw/zinc/25/58/66/621255866.db2.gz MWKLRRMIDVCSLY-KKRSNOEOSA-N 2 0 290.451 2.691 20 0 CFADRP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903127047 621262242 /nfs/dbraw/zinc/26/22/42/621262242.db2.gz WNHGFTWGBSTKIF-VHRNVKJDSA-N 2 0 278.440 2.551 20 0 CFADRP CC(C)(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903127336 621262499 /nfs/dbraw/zinc/26/24/99/621262499.db2.gz XXPLLZIPYOPBNJ-VMIYWNJYSA-N 2 0 280.456 2.531 20 0 CFADRP CO[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903131623 621263867 /nfs/dbraw/zinc/26/38/67/621263867.db2.gz JJRRPSDMXLTBNF-SMMMKCNCSA-N 2 0 278.440 2.549 20 0 CFADRP C(COCC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903152360 621268403 /nfs/dbraw/zinc/26/84/03/621268403.db2.gz NLEIZYOYWILAFC-ZXFUBFMLSA-N 2 0 278.440 2.551 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903173134 621274454 /nfs/dbraw/zinc/27/44/54/621274454.db2.gz XQFZUYJOCUYNNZ-DUZACMNTSA-N 2 0 293.499 2.854 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903166888 621278481 /nfs/dbraw/zinc/27/84/81/621278481.db2.gz FKTOJXRDLBLTKF-GARPMUOSSA-N 2 0 278.440 2.691 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000903194078 621280780 /nfs/dbraw/zinc/28/07/80/621280780.db2.gz YYEGLLRIYWTUMQ-RHSMWYFYSA-N 2 0 283.419 2.850 20 0 CFADRP C([NH2+][C@@H]1CCOC12CCCC2)C1CC[NH+](CC2CC2)CC1 ZINC000903205779 621287567 /nfs/dbraw/zinc/28/75/67/621287567.db2.gz MOMYWKJATJSJBT-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP CC1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903207698 621287763 /nfs/dbraw/zinc/28/77/63/621287763.db2.gz ZGVCQUMCTUBSGR-XSYSFNKCSA-N 2 0 292.467 2.675 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000903244337 621295514 /nfs/dbraw/zinc/29/55/14/621295514.db2.gz RLOSHTZWEZMURS-YESZJQIVSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ncc[nH]1 ZINC000903254545 621300387 /nfs/dbraw/zinc/30/03/87/621300387.db2.gz SIPBSIARLSHUML-HLIUYOAVSA-N 2 0 276.428 2.857 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000903283290 621306020 /nfs/dbraw/zinc/30/60/20/621306020.db2.gz JURALSZOCOGFHI-OCCSQVGLSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCOC12CCCCC2)C1CC[NH+](C)CC1 ZINC000903275151 621310469 /nfs/dbraw/zinc/31/04/69/621310469.db2.gz WZLNNQBSHRECON-ZBFHGGJFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CO1 ZINC000903280604 621310863 /nfs/dbraw/zinc/31/08/63/621310863.db2.gz WCTKGOHIPBQAAZ-TYVNAMJTSA-N 2 0 290.451 2.691 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903303366 621317401 /nfs/dbraw/zinc/31/74/01/621317401.db2.gz PWLTXUHXONNPMA-MRXNPFEDSA-N 2 0 290.451 2.758 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H](c2ccccn2)C2CC2)CC[N@@H+]1C ZINC000903338525 621334252 /nfs/dbraw/zinc/33/42/52/621334252.db2.gz IMXHFIRVUWRKMH-INWMFGNUSA-N 2 0 259.397 2.605 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000903352799 621344495 /nfs/dbraw/zinc/34/44/95/621344495.db2.gz HFVDSTMXGARDFH-RBSFLKMASA-N 2 0 296.455 2.571 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000903412171 621365480 /nfs/dbraw/zinc/36/54/80/621365480.db2.gz SLALVHPWZVVVGN-AQFXKWCLSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000903426491 621370694 /nfs/dbraw/zinc/37/06/94/621370694.db2.gz MNQYNPOWMBZODB-YPMHNXCESA-N 2 0 284.350 2.575 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903434506 621372537 /nfs/dbraw/zinc/37/25/37/621372537.db2.gz GUCXFLIRUMDMBT-IJEWVQPXSA-N 2 0 274.408 2.960 20 0 CFADRP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431531 621373027 /nfs/dbraw/zinc/37/30/27/621373027.db2.gz YKQKODWVMDUOHA-MBNYWOFBSA-N 2 0 264.438 2.913 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1C ZINC000903434288 621373048 /nfs/dbraw/zinc/37/30/48/621373048.db2.gz AFWKJZDYJCTOGU-CABCVRRESA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000903440485 621377193 /nfs/dbraw/zinc/37/71/93/621377193.db2.gz ZUWYWMJJJZMOLT-CLWVCHIJSA-N 2 0 276.399 2.859 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440474 621377510 /nfs/dbraw/zinc/37/75/10/621377510.db2.gz ZDZWTRQXEHFYTJ-SRABZTEZSA-N 2 0 258.409 2.992 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000903458577 621379523 /nfs/dbraw/zinc/37/95/23/621379523.db2.gz DQFMIBAKBCZZJZ-CWLKWCNXSA-N 2 0 288.435 2.871 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000903458578 621380065 /nfs/dbraw/zinc/38/00/65/621380065.db2.gz DQFMIBAKBCZZJZ-IDCNUPLLSA-N 2 0 288.435 2.871 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903458618 621380104 /nfs/dbraw/zinc/38/01/04/621380104.db2.gz FPWFZVPTLVRBOI-BZPMIXESSA-N 2 0 250.361 2.640 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@@H]1C[NH3+] ZINC000903459138 621380241 /nfs/dbraw/zinc/38/02/41/621380241.db2.gz CYVSBYPIHBYGLC-QTJJRWQNSA-N 2 0 272.383 2.583 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903458811 621380665 /nfs/dbraw/zinc/38/06/65/621380665.db2.gz KHOXBQFFDKOHAV-SWLSCSKDSA-N 2 0 257.381 2.585 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903463637 621381901 /nfs/dbraw/zinc/38/19/01/621381901.db2.gz HGHIRHNVVIGWAC-IVMMDQJWSA-N 2 0 292.398 2.827 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000903464007 621382019 /nfs/dbraw/zinc/38/20/19/621382019.db2.gz WJUHWOMHWPASFW-OIISXLGYSA-N 2 0 258.409 2.722 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000903463556 621382134 /nfs/dbraw/zinc/38/21/34/621382134.db2.gz DJRPJOFLAFTFHX-WWGRRREGSA-N 2 0 264.388 2.968 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000903442028 621382561 /nfs/dbraw/zinc/38/25/61/621382561.db2.gz GNCFJMWLZXNULL-DZGCQCFKSA-N 2 0 298.434 2.870 20 0 CFADRP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442039 621382728 /nfs/dbraw/zinc/38/27/28/621382728.db2.gz HAWSTVFWMSURFA-JKIFEVAISA-N 2 0 298.434 2.838 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442407 621382891 /nfs/dbraw/zinc/38/28/91/621382891.db2.gz OQZDKSRURXWJSG-SJORKVTESA-N 3 0 281.488 2.558 20 0 CFADRP C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903445119 621383766 /nfs/dbraw/zinc/38/37/66/621383766.db2.gz YKEHNXKHDFCPQW-NEPJUHHUSA-N 2 0 279.453 2.581 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903445367 621383874 /nfs/dbraw/zinc/38/38/74/621383874.db2.gz JFAJNRVKPLBEPK-CVEARBPZSA-N 2 0 287.451 2.727 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1[NH3+] ZINC000903449455 621385892 /nfs/dbraw/zinc/38/58/92/621385892.db2.gz BHJIKAWYKYBFPN-DZGCQCFKSA-N 2 0 257.381 2.727 20 0 CFADRP CCc1ccc([C@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)cc1 ZINC000903456757 621388493 /nfs/dbraw/zinc/38/84/93/621388493.db2.gz KVDKKSULRALYPN-BPQIPLTHSA-N 2 0 288.435 2.750 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H]1c1ccccc1 ZINC000903481847 621391789 /nfs/dbraw/zinc/39/17/89/621391789.db2.gz OEBQXIOLDFWWFW-TXCZRRACSA-N 2 0 258.409 2.925 20 0 CFADRP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903482211 621392164 /nfs/dbraw/zinc/39/21/64/621392164.db2.gz ZJMNQUXBXDRTHM-VXGBXAGGSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)nc1 ZINC000903482551 621392420 /nfs/dbraw/zinc/39/24/20/621392420.db2.gz KOLAJQYWYRZCBD-UMNHJUIQSA-N 2 0 287.329 2.878 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)C[C@H]1CC[NH3+] ZINC000903499806 621394161 /nfs/dbraw/zinc/39/41/61/621394161.db2.gz OSOLCSKMQWHHNI-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1CC[NH3+] ZINC000903498394 621394336 /nfs/dbraw/zinc/39/43/36/621394336.db2.gz FLDAVONREQXKKZ-RHSMWYFYSA-N 2 0 296.418 2.560 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903719399 621425339 /nfs/dbraw/zinc/42/53/39/621425339.db2.gz ZGKSSYDKOVYEPB-CQSZACIVSA-N 2 0 280.387 2.526 20 0 CFADRP CCC1CCC([N@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723266 621426876 /nfs/dbraw/zinc/42/68/76/621426876.db2.gz GUFWLQFAHAKVJA-SJJHQCBESA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000903722830 621426892 /nfs/dbraw/zinc/42/68/92/621426892.db2.gz DRLXNTAYKFCPMC-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903725634 621428192 /nfs/dbraw/zinc/42/81/92/621428192.db2.gz DYDPZVIHLCIAKJ-RHSMWYFYSA-N 2 0 274.408 2.919 20 0 CFADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCCCC1 ZINC000903727953 621428999 /nfs/dbraw/zinc/42/89/99/621428999.db2.gz ZWAKHKLNCDLNQM-IRXDYDNUSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H](C)[C@H](C)[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903729259 621429331 /nfs/dbraw/zinc/42/93/31/621429331.db2.gz LKWRHUNJODHMNL-DIECFANBSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730613 621429567 /nfs/dbraw/zinc/42/95/67/621429567.db2.gz XZUROCNJYXUCOE-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@H](C)[C@H](C)[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903729260 621429653 /nfs/dbraw/zinc/42/96/53/621429653.db2.gz LKWRHUNJODHMNL-NXNVCVFFSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903729423 621429676 /nfs/dbraw/zinc/42/96/76/621429676.db2.gz MSQFPYYJHZDEHF-HNNXBMFYSA-N 2 0 276.424 2.559 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903716234 621431333 /nfs/dbraw/zinc/43/13/33/621431333.db2.gz KFSVFWYDEARVJZ-GXTWGEPZSA-N 2 0 250.361 2.715 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903746121 621432117 /nfs/dbraw/zinc/43/21/17/621432117.db2.gz FRFLWZHJAUKWDI-RWMBFGLXSA-N 2 0 294.361 2.547 20 0 CFADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccccc1CF ZINC000903753720 621432978 /nfs/dbraw/zinc/43/29/78/621432978.db2.gz XPCMVBUUIRVHGS-TYNCELHUSA-N 2 0 250.361 2.632 20 0 CFADRP c1cncc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903752668 621432995 /nfs/dbraw/zinc/43/29/95/621432995.db2.gz PEKXKQWSTXHZRG-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000903740368 621434829 /nfs/dbraw/zinc/43/48/29/621434829.db2.gz VBSJLYRXIODQMM-ADKAHSJRSA-N 2 0 293.499 2.572 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903759839 621436020 /nfs/dbraw/zinc/43/60/20/621436020.db2.gz RYDKPZLFOBNUNK-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]C2)c1 ZINC000903762663 621436138 /nfs/dbraw/zinc/43/61/38/621436138.db2.gz CPVJMLVCUJMMRQ-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903764721 621436658 /nfs/dbraw/zinc/43/66/58/621436658.db2.gz VIXWKLWCFVMTDZ-WBVHZDCISA-N 2 0 274.408 2.529 20 0 CFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764264 621436749 /nfs/dbraw/zinc/43/67/49/621436749.db2.gz QPYXCFQIJTVUKZ-VVLHAWIVSA-N 2 0 280.456 2.656 20 0 CFADRP CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903763277 621436838 /nfs/dbraw/zinc/43/68/38/621436838.db2.gz JOYITHJYSRPMGI-IKGGRYGDSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[N@H+](CC1CCC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757919 621438481 /nfs/dbraw/zinc/43/84/81/621438481.db2.gz IPMPDXBCVSQODV-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757337 621438762 /nfs/dbraw/zinc/43/87/62/621438762.db2.gz CKMWBCBOAIQAAQ-QZWWFDLISA-N 2 0 280.456 2.559 20 0 CFADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCCC[NH2+]C1 ZINC000903779850 621440514 /nfs/dbraw/zinc/44/05/14/621440514.db2.gz CBGFSDPHQMRAIZ-HNNXBMFYSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903781291 621440829 /nfs/dbraw/zinc/44/08/29/621440829.db2.gz PKXMKOPEBBPUTQ-CHWSQXEVSA-N 2 0 296.377 2.937 20 0 CFADRP c1ccc2c(c1)C[N@H+](C[C@H]1CCCC[NH2+]C1)C[C@@H]1CCCN21 ZINC000903784252 621441473 /nfs/dbraw/zinc/44/14/73/621441473.db2.gz MMSRTWBLJFEYCQ-WMZOPIPTSA-N 2 0 299.462 2.861 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000903789462 621442334 /nfs/dbraw/zinc/44/23/34/621442334.db2.gz XRMLVVSWRVCZAE-NVXWUHKLSA-N 2 0 280.456 2.515 20 0 CFADRP C[N@H+](Cc1cccc2ccccc21)C1(C[NH3+])CCOCC1 ZINC000903806631 621445593 /nfs/dbraw/zinc/44/55/93/621445593.db2.gz YVIMEKWVURVXKE-UHFFFAOYSA-N 2 0 284.403 2.780 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957327 621479037 /nfs/dbraw/zinc/47/90/37/621479037.db2.gz PUUOYWWTGKUYNJ-IUCAKERBSA-N 2 0 274.277 2.552 20 0 CFADRP Cc1ncc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)s1 ZINC000903810293 621446162 /nfs/dbraw/zinc/44/61/62/621446162.db2.gz AAVIWZSTAJLHJV-CQSZACIVSA-N 2 0 279.453 2.935 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC2CCCC2)CCC1 ZINC000903811574 621447029 /nfs/dbraw/zinc/44/70/29/621447029.db2.gz NKMIYTODQIVQFF-IRXDYDNUSA-N 2 0 294.483 2.911 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccccn2)CCC1 ZINC000903811556 621447160 /nfs/dbraw/zinc/44/71/60/621447160.db2.gz MXWCMFVMYYHRMK-HNNXBMFYSA-N 2 0 259.397 2.565 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812989 621447609 /nfs/dbraw/zinc/44/76/09/621447609.db2.gz WSJGVRZONLXBJS-OAHLLOKOSA-N 2 0 296.455 2.703 20 0 CFADRP C(C[N@@H+]1CCCSC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000903825585 621450085 /nfs/dbraw/zinc/45/00/85/621450085.db2.gz ACPXSRDACDPXIB-DZGCQCFKSA-N 2 0 268.470 2.594 20 0 CFADRP Cc1cccc(C)c1C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903826549 621450624 /nfs/dbraw/zinc/45/06/24/621450624.db2.gz LRGMPZANGOCNCE-SJLPKXTDSA-N 2 0 288.435 2.504 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCSC[C@H]2C)cc1 ZINC000903829156 621451425 /nfs/dbraw/zinc/45/14/25/621451425.db2.gz AVTROTFRYVDZGO-UKRRQHHQSA-N 2 0 294.464 2.565 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[NH2+]C1 ZINC000903831934 621452045 /nfs/dbraw/zinc/45/20/45/621452045.db2.gz OMNGRXSKOOPJNX-WZYMTQMTSA-N 2 0 268.420 2.979 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1c1ccccc1 ZINC000903831596 621452211 /nfs/dbraw/zinc/45/22/11/621452211.db2.gz KKGYSZCFKJEXIU-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903833920 621452505 /nfs/dbraw/zinc/45/25/05/621452505.db2.gz ZNLBZGXJWBCIIO-DLBZAZTESA-N 2 0 287.451 2.587 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)nc1 ZINC000903833385 621452636 /nfs/dbraw/zinc/45/26/36/621452636.db2.gz VNIDMOQFRQMBDH-RHSMWYFYSA-N 2 0 289.423 2.617 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H]2CC=CC[C@H]2C)cc1 ZINC000903849717 621455580 /nfs/dbraw/zinc/45/55/80/621455580.db2.gz GOMOVBDLHVEBCR-UKPHBRMFSA-N 2 0 274.408 2.682 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000903874526 621462109 /nfs/dbraw/zinc/46/21/09/621462109.db2.gz CNFSRXQMESMLHP-GVDBMIGSSA-N 2 0 280.456 2.515 20 0 CFADRP C[N@H+](CCOc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903874350 621462216 /nfs/dbraw/zinc/46/22/16/621462216.db2.gz YLMSAYJCNCOTDA-MQVJKMGUSA-N 2 0 274.408 2.528 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903876549 621462942 /nfs/dbraw/zinc/46/29/42/621462942.db2.gz GUIKCGBOYFTSNV-VHRNVKJDSA-N 2 0 292.398 2.667 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000903883274 621463926 /nfs/dbraw/zinc/46/39/26/621463926.db2.gz GYECGIXQFLXJIZ-HUORLRHWSA-N 2 0 275.396 2.651 20 0 CFADRP C[C@@H]1COc2ccccc2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914668 621465199 /nfs/dbraw/zinc/46/51/99/621465199.db2.gz KISKIXNPBWCKGV-ZBSSRIJBSA-N 2 0 286.419 2.800 20 0 CFADRP CCc1cnc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000903898001 621467185 /nfs/dbraw/zinc/46/71/85/621467185.db2.gz KZFMMFNUNFDDSN-YHWZYXNKSA-N 2 0 279.453 2.668 20 0 CFADRP Fc1ccccc1C1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903902824 621468732 /nfs/dbraw/zinc/46/87/32/621468732.db2.gz NUCSCUYBIBEPNX-AGUYFDCRSA-N 2 0 274.383 2.935 20 0 CFADRP CCC[C@H]1CCCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908703 621470897 /nfs/dbraw/zinc/47/08/97/621470897.db2.gz OKQPQPHLAAHNIX-RDJZCZTQSA-N 2 0 292.471 2.501 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912218 621471635 /nfs/dbraw/zinc/47/16/35/621471635.db2.gz BQZBLWUHKZVELT-NPYXIHBLSA-N 2 0 280.456 2.798 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903919338 621473105 /nfs/dbraw/zinc/47/31/05/621473105.db2.gz MLIHHLZCKKWFEP-NZHQHIMKSA-N 2 0 285.435 2.766 20 0 CFADRP CC(C)([NH3+])CCNCc1csc(C(C)(C)C)n1 ZINC000903939187 621473613 /nfs/dbraw/zinc/47/36/13/621473613.db2.gz UACICOVKBCAOLL-UHFFFAOYSA-N 2 0 255.431 2.658 20 0 CFADRP CC[C@H](C[NH2+]C[C@@H]([NH3+])CC(F)F)Oc1ccccc1C ZINC000903923358 621474205 /nfs/dbraw/zinc/47/42/05/621474205.db2.gz ROUIGJAFIBHEMB-QWHCGFSZSA-N 2 0 286.366 2.725 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC(C)(C)[NH3+])CC1 ZINC000903939397 621474924 /nfs/dbraw/zinc/47/49/24/621474924.db2.gz GMOUHSDTLWBSFW-GDBMZVCRSA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)c1nc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000903926925 621475294 /nfs/dbraw/zinc/47/52/94/621475294.db2.gz VLKWXQCBFITMFL-AGUYFDCRSA-N 2 0 293.480 2.929 20 0 CFADRP COc1ccccc1C1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903932446 621476509 /nfs/dbraw/zinc/47/65/09/621476509.db2.gz RNLZTASAMLYQDW-GOOCMWNKSA-N 2 0 286.419 2.805 20 0 CFADRP Cc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932672 621476655 /nfs/dbraw/zinc/47/66/55/621476655.db2.gz FEBHTTZGFOLKLS-SMDDNHRTSA-N 2 0 268.351 2.945 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903934040 621477440 /nfs/dbraw/zinc/47/74/40/621477440.db2.gz ZKHCBGBEMUIBIX-YCXXCVGLSA-N 2 0 286.419 2.670 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957321 621478452 /nfs/dbraw/zinc/47/84/52/621478452.db2.gz PUDGMPBWPONZLO-UPJWGTAASA-N 2 0 260.372 2.647 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000903959446 621479854 /nfs/dbraw/zinc/47/98/54/621479854.db2.gz ICYUAXSWFCGLQX-MQIPJXDCSA-N 2 0 262.372 2.933 20 0 CFADRP C[C@@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC[NH2+]C1 ZINC000903954313 621489363 /nfs/dbraw/zinc/48/93/63/621489363.db2.gz QIFQXMMOYNGMGQ-XQQFMLRXSA-N 2 0 276.346 2.650 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974104 621492356 /nfs/dbraw/zinc/49/23/56/621492356.db2.gz LTIHLIYPDAETPX-HUUCEWRRSA-N 2 0 276.424 2.809 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903976850 621493496 /nfs/dbraw/zinc/49/34/96/621493496.db2.gz DODJQPAUIOCQFB-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978230 621494037 /nfs/dbraw/zinc/49/40/37/621494037.db2.gz BCXMBCXJTHYAJH-VNHYZAJKSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000903978404 621494044 /nfs/dbraw/zinc/49/40/44/621494044.db2.gz OMRCEUQUSSYPJD-GZBFAFLISA-N 2 0 264.388 2.846 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000903964688 621495853 /nfs/dbraw/zinc/49/58/53/621495853.db2.gz STQWJDSMXUFHJZ-MWQQHZPXSA-N 2 0 258.409 2.595 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(N)nc2)CC1 ZINC000903986894 621499040 /nfs/dbraw/zinc/49/90/40/621499040.db2.gz SIZWJCWJIBLICI-UHFFFAOYSA-N 2 0 288.439 2.551 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000904299583 621567955 /nfs/dbraw/zinc/56/79/55/621567955.db2.gz IRSKMUSAAFUDII-CYBMUJFWSA-N 2 0 274.408 2.571 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904301220 621569009 /nfs/dbraw/zinc/56/90/09/621569009.db2.gz BGXFDGXZTNJRNH-KRWDZBQOSA-N 2 0 276.424 2.907 20 0 CFADRP CC(C)[NH+]1CCC(N(C)C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904307238 621570259 /nfs/dbraw/zinc/57/02/59/621570259.db2.gz MHYVGZSTTHSCFP-HNNXBMFYSA-N 2 0 283.504 2.945 20 0 CFADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316377 621572208 /nfs/dbraw/zinc/57/22/08/621572208.db2.gz NIYZXTRTKIVJHM-UAGQMJEPSA-N 2 0 258.409 2.739 20 0 CFADRP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904317061 621572380 /nfs/dbraw/zinc/57/23/80/621572380.db2.gz VMLTYNYDXHXIBF-IXDOHACOSA-N 2 0 258.409 2.739 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)C1 ZINC000904337204 621572461 /nfs/dbraw/zinc/57/24/61/621572461.db2.gz QWLJOGUISSUFOC-CFVMTHIKSA-N 2 0 294.826 2.921 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904318769 621572791 /nfs/dbraw/zinc/57/27/91/621572791.db2.gz VUTZXQZKFYFKEE-KRWDZBQOSA-N 2 0 276.424 2.559 20 0 CFADRP CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904324476 621575472 /nfs/dbraw/zinc/57/54/72/621575472.db2.gz HLGGHNYCASFYNS-ROUUACIJSA-N 2 0 290.451 2.649 20 0 CFADRP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000904324398 621575762 /nfs/dbraw/zinc/57/57/62/621575762.db2.gz WXTWPRPHUPTGJD-UTUOFQBUSA-N 2 0 267.442 2.744 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904327083 621576340 /nfs/dbraw/zinc/57/63/40/621576340.db2.gz YNTGXXBNYXJCTJ-QGZVFWFLSA-N 2 0 275.440 2.574 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904343536 621578684 /nfs/dbraw/zinc/57/86/84/621578684.db2.gz VDPUPIUGSGIHGQ-INIZCTEOSA-N 2 0 264.388 2.956 20 0 CFADRP C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343773 621578713 /nfs/dbraw/zinc/57/87/13/621578713.db2.gz WNRPBVZNUPQATB-PHIMTYICSA-N 2 0 256.752 2.648 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000904343803 621578906 /nfs/dbraw/zinc/57/89/06/621578906.db2.gz XLPCJZMAVWVBTD-HOTGVXAUSA-N 2 0 282.472 2.889 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000904346052 621579459 /nfs/dbraw/zinc/57/94/59/621579459.db2.gz PRDXWQGIZINLIK-IRXDYDNUSA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000904354136 621580923 /nfs/dbraw/zinc/58/09/23/621580923.db2.gz BAAASPABIUTYSO-CQSZACIVSA-N 2 0 291.439 2.734 20 0 CFADRP C[C@@H]1CN(Cc2ccc(C[NH3+])cc2)c2cc(F)ccc2C[NH2+]1 ZINC000904352801 621581244 /nfs/dbraw/zinc/58/12/44/621581244.db2.gz BHGUJLYSAHAWKK-CYBMUJFWSA-N 2 0 299.393 2.783 20 0 CFADRP C[C@@]1(C[NH2+]CCc2cc3ccccc3o2)CCC[NH2+]C1 ZINC000904360499 621582773 /nfs/dbraw/zinc/58/27/73/621582773.db2.gz LVMLPVOGPIOUJI-QGZVFWFLSA-N 2 0 272.392 2.955 20 0 CFADRP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904360663 621582929 /nfs/dbraw/zinc/58/29/29/621582929.db2.gz NNDMHFXRMKCVRP-ZGBLGHFFSA-N 2 0 282.815 2.743 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000904364547 621585310 /nfs/dbraw/zinc/58/53/10/621585310.db2.gz YOVCROOFFYNAED-DLBZAZTESA-N 2 0 275.440 2.801 20 0 CFADRP CC(C)CC1(C[NH2+]C2CCN(CC[NH3+])CC2)CCCC1 ZINC000904364330 621585474 /nfs/dbraw/zinc/58/54/74/621585474.db2.gz VIZASSZHTIUGSA-UHFFFAOYSA-N 2 0 281.488 2.606 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904388763 621586365 /nfs/dbraw/zinc/58/63/65/621586365.db2.gz OJRQWWZPXKSCBV-LXPRWKDFSA-N 3 0 293.499 2.763 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCC[NH2+]C1 ZINC000904388424 621586590 /nfs/dbraw/zinc/58/65/90/621586590.db2.gz JIIFGUWGIZPDRD-NWDGAFQWSA-N 2 0 294.336 2.743 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000904384450 621588434 /nfs/dbraw/zinc/58/84/34/621588434.db2.gz KOGSPWNBSFRRFS-ZIAGYGMSSA-N 2 0 269.477 2.508 20 0 CFADRP C[C@]1(C[NH+]2CCC3(CCSCC3)CC2)CCC[NH2+]C1 ZINC000904385421 621588826 /nfs/dbraw/zinc/58/88/26/621588826.db2.gz YHJLNTIZUFJRDN-HNNXBMFYSA-N 2 0 282.497 2.985 20 0 CFADRP CC(C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000904385727 621588936 /nfs/dbraw/zinc/58/89/36/621588936.db2.gz CWGHGSWHHUFBDK-JGZJWPJOSA-N 2 0 254.324 2.527 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904385729 621589015 /nfs/dbraw/zinc/58/90/15/621589015.db2.gz DDKXKTXCDNKZAE-KRWDZBQOSA-N 2 0 298.471 2.533 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000904404900 621590102 /nfs/dbraw/zinc/59/01/02/621590102.db2.gz AEWXAQLKPZGPEG-AWEZNQCLSA-N 2 0 274.408 2.646 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1F ZINC000904405842 621590133 /nfs/dbraw/zinc/59/01/33/621590133.db2.gz QDUNYWVLYFVSEH-ZIAGYGMSSA-N 2 0 294.414 2.684 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000904405053 621590364 /nfs/dbraw/zinc/59/03/64/621590364.db2.gz HZEJGGHVNCVFDF-ISUDXETCSA-N 2 0 266.335 2.649 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@H]1C[NH3+] ZINC000904409871 621590823 /nfs/dbraw/zinc/59/08/23/621590823.db2.gz AFANDPCLGLCBCO-YPMHNXCESA-N 2 0 279.453 2.827 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cc2s1 ZINC000904406474 621591369 /nfs/dbraw/zinc/59/13/69/621591369.db2.gz WIWGPPABWJLJME-LBPRGKRZSA-N 2 0 275.421 2.775 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000904406385 621591427 /nfs/dbraw/zinc/59/14/27/621591427.db2.gz RTHFVMUWOKLXEF-NSHDSACASA-N 2 0 265.426 2.581 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@H]1C[NH3+] ZINC000904410409 621591692 /nfs/dbraw/zinc/59/16/92/621591692.db2.gz DHGQSLIHADSXFP-BBRMVZONSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC[C@H]1C[NH3+] ZINC000904410349 621591748 /nfs/dbraw/zinc/59/17/48/621591748.db2.gz FIBHSUUHZMXANG-DEOOVVBZSA-N 2 0 280.362 2.895 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000904411493 621592342 /nfs/dbraw/zinc/59/23/42/621592342.db2.gz KZWYMYKRMCFZJS-JSGCOSHPSA-N 2 0 298.377 2.747 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411474 621592498 /nfs/dbraw/zinc/59/24/98/621592498.db2.gz KSTHBRIBLGIBTG-QWHCGFSZSA-N 2 0 250.361 2.551 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411727 621592739 /nfs/dbraw/zinc/59/27/39/621592739.db2.gz XGJHKUPVLQYUHD-HOTGVXAUSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904411591 621592798 /nfs/dbraw/zinc/59/27/98/621592798.db2.gz NUPJNYBGFMACDW-ZBFHGGJFSA-N 2 0 298.434 2.504 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904412152 621593081 /nfs/dbraw/zinc/59/30/81/621593081.db2.gz RCQSZVQNFINZFL-RYUDHWBXSA-N 2 0 267.442 2.683 20 0 CFADRP C([C@@H]1CCSC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416993 621593850 /nfs/dbraw/zinc/59/38/50/621593850.db2.gz WHMXCNSHOKWMDJ-GJZGRUSLSA-N 2 0 282.497 2.841 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904428964 621594662 /nfs/dbraw/zinc/59/46/62/621594662.db2.gz SEFQLDQAQOOZSB-WDVRLDOZSA-N 2 0 271.408 2.579 20 0 CFADRP COC(=O)CCC1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000904433100 621595491 /nfs/dbraw/zinc/59/54/91/621595491.db2.gz KGVVEYGDXJKOTO-GJZGRUSLSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000904434315 621595820 /nfs/dbraw/zinc/59/58/20/621595820.db2.gz VGWSGQGZNITCSE-BFYDXBDKSA-N 2 0 280.456 2.513 20 0 CFADRP COC(=O)CCC1([NH2+]C[C@H]([NH3+])CC(C)C)CCCCC1 ZINC000904434682 621595954 /nfs/dbraw/zinc/59/59/54/621595954.db2.gz XHQAQFHABJIDQN-CQSZACIVSA-N 2 0 284.444 2.606 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000904443392 621598522 /nfs/dbraw/zinc/59/85/22/621598522.db2.gz IIHJEHFRVSLQTE-UHFFFAOYSA-N 2 0 288.435 2.818 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000904442644 621598972 /nfs/dbraw/zinc/59/89/72/621598972.db2.gz DWFPCCFOPCULCN-WOSRLPQWSA-N 2 0 274.408 2.803 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000904446503 621599366 /nfs/dbraw/zinc/59/93/66/621599366.db2.gz VVXHQFCFODXOCO-HNNXBMFYSA-N 2 0 275.440 2.858 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC(C(C)(C)C[NH3+])CC2)CCO1 ZINC000904445120 621599405 /nfs/dbraw/zinc/59/94/05/621599405.db2.gz WBPUEMIGPOHEOC-ZBFHGGJFSA-N 2 0 282.472 2.889 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000904469866 621601278 /nfs/dbraw/zinc/60/12/78/621601278.db2.gz PWBUEVQVZWSODB-ZACQAIPSSA-N 2 0 287.451 2.585 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000904477890 621601916 /nfs/dbraw/zinc/60/19/16/621601916.db2.gz ZCBOURWKXLDLMV-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1cc(-c2ccc([C@@H](C)N3CC[NH2+]CC3)cc2)cc(N)[nH+]1 ZINC000904846946 621657292 /nfs/dbraw/zinc/65/72/92/621657292.db2.gz ZUZKOCRZDMYKSS-CQSZACIVSA-N 2 0 296.418 2.605 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000905179671 621712212 /nfs/dbraw/zinc/71/22/12/621712212.db2.gz LHFUTRJUOXXSOQ-VJFUWPCTSA-N 2 0 290.451 2.738 20 0 CFADRP C[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000905311278 621738297 /nfs/dbraw/zinc/73/82/97/621738297.db2.gz SQECSYIBCMOPGP-XQQFMLRXSA-N 2 0 292.427 2.546 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000905870798 621884127 /nfs/dbraw/zinc/88/41/27/621884127.db2.gz SXXWEZPKCMCFQE-INIZCTEOSA-N 2 0 290.451 2.927 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000905888484 621891026 /nfs/dbraw/zinc/89/10/26/621891026.db2.gz FVBUCDQAPULKDK-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)CCc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1 ZINC000906170671 621943141 /nfs/dbraw/zinc/94/31/41/621943141.db2.gz JVVNVPAUENUADX-QGZVFWFLSA-N 2 0 296.418 2.672 20 0 CFADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000906517528 621996582 /nfs/dbraw/zinc/99/65/82/621996582.db2.gz FYDUJVIXILHTOK-XYPYZODXSA-N 2 0 258.287 2.593 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)C[C@@H]2C1 ZINC000906587597 622005301 /nfs/dbraw/zinc/00/53/01/622005301.db2.gz BTBDIOSNZKMUPJ-YALNPMBYSA-N 2 0 274.383 2.565 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3C[C@H]3c3cccc(F)c3)C[C@@H]2C1 ZINC000906587593 622005649 /nfs/dbraw/zinc/00/56/49/622005649.db2.gz BTBDIOSNZKMUPJ-OHFALNGGSA-N 2 0 274.383 2.565 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)C[C@@H]2C1 ZINC000906587599 622005678 /nfs/dbraw/zinc/00/56/78/622005678.db2.gz BTBDIOSNZKMUPJ-YQFWSFKMSA-N 2 0 274.383 2.565 20 0 CFADRP CC[C@@H]1c2ccsc2CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000908515210 622237965 /nfs/dbraw/zinc/23/79/65/622237965.db2.gz JCZJHTVTCYHVDJ-DZGCQCFKSA-N 2 0 294.464 2.514 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])C2CCCCCC2)cc1 ZINC000911845362 622563890 /nfs/dbraw/zinc/56/38/90/622563890.db2.gz IXUIIBPLXJXGTE-BLLLJJGKSA-N 2 0 289.423 2.943 20 0 CFADRP C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820803366 622759911 /nfs/dbraw/zinc/75/99/11/622759911.db2.gz MYCHNVMWIJXYBV-MIGBEJBISA-N 2 0 288.435 2.543 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)SC)C1 ZINC000820869170 622769984 /nfs/dbraw/zinc/76/99/84/622769984.db2.gz SSAFSTNYHYUIRR-ZDUSSCGKSA-N 2 0 258.475 2.792 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CCCCCCC1 ZINC000821362727 622904947 /nfs/dbraw/zinc/90/49/47/622904947.db2.gz OTTFKJDZSHXERY-INIZCTEOSA-N 2 0 270.461 2.732 20 0 CFADRP C[C@@H]1C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)S1 ZINC000225245538 623034303 /nfs/dbraw/zinc/03/43/03/623034303.db2.gz OKXPNUPZYRHOKP-MLQJFRMTSA-N 2 0 268.470 2.733 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccc(Cl)s2)CC1 ZINC000226354547 623068186 /nfs/dbraw/zinc/06/81/86/623068186.db2.gz ZBUSCMLZOQSHMN-UHFFFAOYSA-N 2 0 272.845 2.875 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822582364 623130665 /nfs/dbraw/zinc/13/06/65/623130665.db2.gz DQAHLCZKXCMWRN-GFCCVEGCSA-N 2 0 279.255 2.844 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822582365 623131084 /nfs/dbraw/zinc/13/10/84/623131084.db2.gz DQAHLCZKXCMWRN-LBPRGKRZSA-N 2 0 279.255 2.844 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@H]21 ZINC000228472836 623144951 /nfs/dbraw/zinc/14/49/51/623144951.db2.gz CJMQCIAYWLAPNI-DAXOMENPSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036360 623246107 /nfs/dbraw/zinc/24/61/07/623246107.db2.gz JVOMZBVWFQBMIH-UHFFFAOYSA-N 3 0 281.488 2.703 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(CC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000823167459 623250088 /nfs/dbraw/zinc/25/00/88/623250088.db2.gz GXPHJVAQYNTIDH-VXGBXAGGSA-N 2 0 277.239 2.598 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cncc4ccccc43)C[C@@H]21 ZINC000230330881 623271907 /nfs/dbraw/zinc/27/19/07/623271907.db2.gz OOCBPFHLQINZOL-JCGIZDLHSA-N 2 0 281.403 2.794 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197670 623333107 /nfs/dbraw/zinc/33/31/07/623333107.db2.gz SDSUCIXSKWPNPP-QGZVFWFLSA-N 2 0 274.408 2.659 20 0 CFADRP C[N@H+](CCCCCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000173961186 623376358 /nfs/dbraw/zinc/37/63/58/623376358.db2.gz VHLXWAXVEXNSLG-INIZCTEOSA-N 2 0 270.461 2.735 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)[C@H]1CCCC[C@H]1C ZINC000823825421 623400904 /nfs/dbraw/zinc/40/09/04/623400904.db2.gz NSWWYMVAKUJONB-XAJHFOFHSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCC[C@H]1C ZINC000823825418 623401183 /nfs/dbraw/zinc/40/11/83/623401183.db2.gz NSWWYMVAKUJONB-ALYAQQCSSA-N 2 0 280.456 2.654 20 0 CFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC2(CC2)C1 ZINC000824533886 623518503 /nfs/dbraw/zinc/51/85/03/623518503.db2.gz RVCDVDFKJUHREQ-UHFFFAOYSA-N 2 0 286.419 2.757 20 0 CFADRP OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000824564368 623524088 /nfs/dbraw/zinc/52/40/88/623524088.db2.gz KKGNPTCKRRHQFR-WNRNVDISSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000929719976 623525488 /nfs/dbraw/zinc/52/54/88/623525488.db2.gz SITHRHBPOYDHRC-XWTMOSNGSA-N 2 0 294.483 2.998 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000312600295 623540670 /nfs/dbraw/zinc/54/06/70/623540670.db2.gz YFAWHDXGBNPXFA-HNNXBMFYSA-N 2 0 278.440 2.554 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121628790 623992899 /nfs/dbraw/zinc/99/28/99/623992899.db2.gz OEWBOIZRHTYLFX-GOSISDBHSA-N 2 0 290.451 2.692 20 0 CFADRP CCc1cc(N2CCCC3(CC[NH+](C)CC3)C2)cc[nH+]1 ZINC000828077484 624165954 /nfs/dbraw/zinc/16/59/54/624165954.db2.gz NFOLBGPFMXGEIR-UHFFFAOYSA-N 2 0 273.424 2.956 20 0 CFADRP C[NH+](C)CCc1ccc(NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000828536891 624264372 /nfs/dbraw/zinc/26/43/72/624264372.db2.gz PTPZQYVMQDSUAB-UHFFFAOYSA-N 2 0 297.402 2.502 20 0 CFADRP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000917011899 624299884 /nfs/dbraw/zinc/29/98/84/624299884.db2.gz ATHMRHRKGIRIKN-SJLPKXTDSA-N 2 0 288.435 2.589 20 0 CFADRP c1cn2c(n1)[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)CC2 ZINC000834566859 625715534 /nfs/dbraw/zinc/71/55/34/625715534.db2.gz UETHUBDTONNOIC-INIZCTEOSA-N 2 0 290.455 2.964 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@]3(C)CC3(Cl)Cl)C2)C1 ZINC000830027945 624603301 /nfs/dbraw/zinc/60/33/01/624603301.db2.gz CMXVUWHYJBTVSM-QWHCGFSZSA-N 2 0 291.266 2.988 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925473902 624629842 /nfs/dbraw/zinc/62/98/42/624629842.db2.gz GRHWVDKRWHHAJN-YJBOKZPZSA-N 2 0 289.467 2.759 20 0 CFADRP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479657 624713751 /nfs/dbraw/zinc/71/37/51/624713751.db2.gz JEHAJQNOAQGSBG-WMZOPIPTSA-N 3 0 289.467 2.788 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000921470689 624882752 /nfs/dbraw/zinc/88/27/52/624882752.db2.gz JXFQKIQLDXCLOT-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921469529 624884694 /nfs/dbraw/zinc/88/46/94/624884694.db2.gz IXOQFPOZJRAYNG-AWEZNQCLSA-N 2 0 292.471 2.509 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000834851056 625901549 /nfs/dbraw/zinc/90/15/49/625901549.db2.gz SWMBTMWYPUXQKY-ZBFHGGJFSA-N 2 0 294.414 2.632 20 0 CFADRP Clc1n[nH]c(C2CC2)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000921529395 625978800 /nfs/dbraw/zinc/97/88/00/625978800.db2.gz YTSPEIIOZYVZOX-SNVBAGLBSA-N 2 0 294.830 2.514 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000921551236 625984841 /nfs/dbraw/zinc/98/48/41/625984841.db2.gz BKDPDXQBFHZQGY-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(Cl)c(C)nn2C)CC1 ZINC000921686987 626079902 /nfs/dbraw/zinc/07/99/02/626079902.db2.gz UDMUGUZLVKXNLZ-UHFFFAOYSA-N 2 0 298.862 2.594 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000230285515 626102174 /nfs/dbraw/zinc/10/21/74/626102174.db2.gz DORRTRKEYIDMSH-ZACQAIPSSA-N 2 0 288.435 2.748 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCc3nccn3C2)C1 ZINC000922026677 626198133 /nfs/dbraw/zinc/19/81/33/626198133.db2.gz WNWYYCVHRWUZKD-BFHYXJOUSA-N 2 0 279.453 2.709 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000922181106 626232878 /nfs/dbraw/zinc/23/28/78/626232878.db2.gz MYIPLVUVGCIUSF-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000922214750 626242213 /nfs/dbraw/zinc/24/22/13/626242213.db2.gz SMFLISWBNCQKFV-NJINODPHSA-N 2 0 280.456 2.654 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000922285163 626259234 /nfs/dbraw/zinc/25/92/34/626259234.db2.gz WPROEULVGYSSKO-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CCCC(C)C)C2)[C@H]1C(C)C ZINC000922396071 626283359 /nfs/dbraw/zinc/28/33/59/626283359.db2.gz ZWUZWNDLHFTDHF-TVFCKZIOSA-N 2 0 296.499 2.882 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000922730001 626354437 /nfs/dbraw/zinc/35/44/37/626354437.db2.gz VKHVUDCGZCHOIL-GXFFZTMASA-N 2 0 296.296 2.555 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCC2(CCC2)O1 ZINC000922806876 626369922 /nfs/dbraw/zinc/36/99/22/626369922.db2.gz PPTKAKZWKWDQQL-OAGGEKHMSA-N 2 0 278.440 2.695 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000922847602 626380169 /nfs/dbraw/zinc/38/01/69/626380169.db2.gz BFATZQUKAOZXCB-UHFFFAOYSA-N 2 0 298.434 2.831 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C12CCC2 ZINC000922845152 626380805 /nfs/dbraw/zinc/38/08/05/626380805.db2.gz CDINMSZKCCGIQS-GMRIPVOYSA-N 2 0 292.467 2.941 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923003776 626441716 /nfs/dbraw/zinc/44/17/16/626441716.db2.gz KCEZTZUEZLEXDW-QAQDUYKDSA-N 2 0 290.451 2.505 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303704 626464528 /nfs/dbraw/zinc/46/45/28/626464528.db2.gz ISQJTYKMTJMJPD-WFASDCNBSA-N 2 0 294.826 2.711 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308048 626464540 /nfs/dbraw/zinc/46/45/40/626464540.db2.gz ZKOHDIUVKFKHPG-IAGOWNOFSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)C[C@H]1COCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312946 626464940 /nfs/dbraw/zinc/46/49/40/626464940.db2.gz NMRBIKPLQBOECX-HMQMGEFJSA-N 2 0 280.456 2.654 20 0 CFADRP c1cc([C@@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000923306236 626464975 /nfs/dbraw/zinc/46/49/75/626464975.db2.gz IWYOUGSSMRWCEI-VIYLOZMYSA-N 2 0 288.439 2.510 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CCC[NH2+]C2CC2)C1 ZINC000923315719 626465283 /nfs/dbraw/zinc/46/52/83/626465283.db2.gz YQUNJLPLPBCOOB-ZIAGYGMSSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923319030 626465472 /nfs/dbraw/zinc/46/54/72/626465472.db2.gz SNIFFILABJMMAX-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC[C@H]1CCCC[NH+]1C ZINC000923324424 626466463 /nfs/dbraw/zinc/46/64/63/626466463.db2.gz HGGKUKOULOXGIS-HQSKLWIPSA-N 3 0 293.499 2.713 20 0 CFADRP CCc1ncc(C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000923354307 626468528 /nfs/dbraw/zinc/46/85/28/626468528.db2.gz RTMBMHVWGBNZSF-UHFFFAOYSA-N 2 0 265.401 2.578 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364634 626468646 /nfs/dbraw/zinc/46/86/46/626468646.db2.gz PHGPACPCTMZTAW-IKGGRYGDSA-N 2 0 282.472 2.782 20 0 CFADRP [NH3+]CCC[N@H+](C[C@H](O)c1ccc(F)cc1)CC1CCCC1 ZINC000923352865 626468682 /nfs/dbraw/zinc/46/86/82/626468682.db2.gz GWXLZJCXMCMLAK-KRWDZBQOSA-N 2 0 294.414 2.700 20 0 CFADRP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cncc(F)c1 ZINC000923378826 626469257 /nfs/dbraw/zinc/46/92/57/626469257.db2.gz NEVWROUADBKQKT-KPGMEVQCSA-N 2 0 277.387 2.792 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(F)cc1Cl ZINC000923380014 626469538 /nfs/dbraw/zinc/46/95/38/626469538.db2.gz UPHUFWWUMOLKHD-JQWIXIFHSA-N 2 0 298.789 2.508 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923383626 626469753 /nfs/dbraw/zinc/46/97/53/626469753.db2.gz LBOIARXGSUFWIG-BXEXHWSDSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923391426 626469928 /nfs/dbraw/zinc/46/99/28/626469928.db2.gz FPSMQWVWPLNAMP-NIKGAXFTSA-N 2 0 298.430 2.555 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923391425 626469964 /nfs/dbraw/zinc/46/99/64/626469964.db2.gz FPSMQWVWPLNAMP-MDASCCDHSA-N 2 0 298.430 2.555 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923385584 626470238 /nfs/dbraw/zinc/47/02/38/626470238.db2.gz AXMBFDZBEMSHET-OAHLLOKOSA-N 2 0 291.439 2.757 20 0 CFADRP CN(C[C@H](O)c1ccc(F)c(F)c1)C1(C[NH3+])CCCCC1 ZINC000923423977 626471787 /nfs/dbraw/zinc/47/17/87/626471787.db2.gz UGVXMRAXBSKWMJ-HNNXBMFYSA-N 2 0 298.377 2.592 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCc1cccc(F)c1 ZINC000923427101 626472010 /nfs/dbraw/zinc/47/20/10/626472010.db2.gz RATRSJVRYZMZMW-UHFFFAOYSA-N 2 0 252.377 2.819 20 0 CFADRP CC(C)CN(CCC[NH2+]C1CC1)Cc1ccccn1 ZINC000923432903 626472872 /nfs/dbraw/zinc/47/28/72/626472872.db2.gz KMSSNKQTBNQIJO-UHFFFAOYSA-N 2 0 261.413 2.682 20 0 CFADRP Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)on2)cc1 ZINC000923487287 626475882 /nfs/dbraw/zinc/47/58/82/626475882.db2.gz YPQZWZMJOHYHFC-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1SC ZINC000923480592 626475951 /nfs/dbraw/zinc/47/59/51/626475951.db2.gz AMMIZZOLWVOXIB-LBPRGKRZSA-N 2 0 280.437 2.588 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480046 626475963 /nfs/dbraw/zinc/47/59/63/626475963.db2.gz UMSAYCLAIYWBAC-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000923479132 626476011 /nfs/dbraw/zinc/47/60/11/626476011.db2.gz MBDCRCZGKWKDTC-GDBMZVCRSA-N 2 0 258.409 2.777 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000923480053 626476058 /nfs/dbraw/zinc/47/60/58/626476058.db2.gz UNTSBRUIWIDSTP-LBPRGKRZSA-N 2 0 289.354 2.651 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495644 626476240 /nfs/dbraw/zinc/47/62/40/626476240.db2.gz DMKHGHQDBOUASC-HOTGVXAUSA-N 2 0 276.424 2.681 20 0 CFADRP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485796 626476262 /nfs/dbraw/zinc/47/62/62/626476262.db2.gz MBKHBHRVWPDHLN-MNOVXSKESA-N 2 0 292.408 2.530 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495645 626476365 /nfs/dbraw/zinc/47/63/65/626476365.db2.gz DMKHGHQDBOUASC-HZPDHXFCSA-N 2 0 276.424 2.681 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923484783 626476391 /nfs/dbraw/zinc/47/63/91/626476391.db2.gz MVZACLTUTLNXGU-GFCCVEGCSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C[NH3+] ZINC000923496069 626476418 /nfs/dbraw/zinc/47/64/18/626476418.db2.gz ZLYKZFCXSLRCPA-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923490760 626476732 /nfs/dbraw/zinc/47/67/32/626476732.db2.gz IBPUIVKVKPITKP-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)CC[C@H]1C[NH3+] ZINC000923492961 626476825 /nfs/dbraw/zinc/47/68/25/626476825.db2.gz ZWBLAMJZYMMFJT-AGIUHOORSA-N 2 0 260.372 2.729 20 0 CFADRP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923494939 626476926 /nfs/dbraw/zinc/47/69/26/626476926.db2.gz QTTPTZBJRVLRJA-QWHCGFSZSA-N 2 0 282.428 2.835 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)CC[C@H]1C[NH3+] ZINC000923499493 626477302 /nfs/dbraw/zinc/47/73/02/626477302.db2.gz LJKYPGCWGKUBLX-NEPJUHHUSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500287 626477322 /nfs/dbraw/zinc/47/73/22/626477322.db2.gz WISUOLYQLVUDEP-IJLUTSLNSA-N 2 0 268.351 2.943 20 0 CFADRP CCCc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499807 626477436 /nfs/dbraw/zinc/47/74/36/626477436.db2.gz UGRZHRWNHCIQLN-NWDGAFQWSA-N 2 0 267.442 2.512 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500285 626477474 /nfs/dbraw/zinc/47/74/74/626477474.db2.gz WISUOLYQLVUDEP-GRYCIOLGSA-N 2 0 268.351 2.943 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)on1 ZINC000923506736 626477898 /nfs/dbraw/zinc/47/78/98/626477898.db2.gz KRSRSLCWKSJFNI-AWEZNQCLSA-N 2 0 277.412 2.585 20 0 CFADRP C[C@@H]1CC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506865 626477903 /nfs/dbraw/zinc/47/79/03/626477903.db2.gz MNVYFKHQZDUJBY-BFYDXBDKSA-N 2 0 280.456 2.656 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)ccn1 ZINC000923509048 626477960 /nfs/dbraw/zinc/47/79/60/626477960.db2.gz YTNIRFPCGPVBDN-INIZCTEOSA-N 2 0 273.424 2.683 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923508682 626477987 /nfs/dbraw/zinc/47/79/87/626477987.db2.gz MBJSSAUOPLXQJG-CQSZACIVSA-N 2 0 291.439 2.839 20 0 CFADRP c1ccc2cc(CC[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc2c1 ZINC000923517970 626478312 /nfs/dbraw/zinc/47/83/12/626478312.db2.gz HVQSMUOJWDABHE-RBUKOAKNSA-N 2 0 280.415 2.924 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)CCC2 ZINC000923518223 626478358 /nfs/dbraw/zinc/47/83/58/626478358.db2.gz BRDXONCXSSALLZ-VBQJREDUSA-N 2 0 274.383 2.744 20 0 CFADRP c1sc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517771 626478371 /nfs/dbraw/zinc/47/83/71/626478371.db2.gz GXGYXMOABIELPQ-QWHCGFSZSA-N 2 0 272.417 2.943 20 0 CFADRP Clc1ccc(CCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517872 626478455 /nfs/dbraw/zinc/47/84/55/626478455.db2.gz IETIKVPUKOCSBE-LSDHHAIUSA-N 2 0 278.827 2.814 20 0 CFADRP C(CCN1CC[C@]2(C1)CCCC[NH2+]2)CC1CCOCC1 ZINC000923533930 626478983 /nfs/dbraw/zinc/47/89/83/626478983.db2.gz OOVLXNDDVADXTA-KRWDZBQOSA-N 2 0 280.456 2.801 20 0 CFADRP [NH3+]CC[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000923552473 626479499 /nfs/dbraw/zinc/47/94/99/626479499.db2.gz AQWMSPNWAOWGKG-YNBOMUFVSA-N 2 0 299.462 2.860 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000923549839 626479649 /nfs/dbraw/zinc/47/96/49/626479649.db2.gz QJLRJDSVXRJHKS-NVXWUHKLSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838872853 626512451 /nfs/dbraw/zinc/51/24/51/626512451.db2.gz QDUIERHPVHCENO-MAUKXSAKSA-N 2 0 294.483 2.734 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000839067347 626522796 /nfs/dbraw/zinc/52/27/96/626522796.db2.gz SUPTXZQVONPOCK-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000759379976 626651995 /nfs/dbraw/zinc/65/19/95/626651995.db2.gz ORSGCROOYLAWNX-CVEARBPZSA-N 2 0 270.461 2.591 20 0 CFADRP C(CC1CC[NH+](CCN2CCCC2)CC1)C[NH+]1CCCC1 ZINC000760887529 626781602 /nfs/dbraw/zinc/78/16/02/626781602.db2.gz REEIUQZAXOHWKR-UHFFFAOYSA-N 2 0 293.499 2.670 20 0 CFADRP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000764774331 627093640 /nfs/dbraw/zinc/09/36/40/627093640.db2.gz OKQJKROLMZNPOO-ZDUSSCGKSA-N 2 0 262.397 2.675 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765075896 627117907 /nfs/dbraw/zinc/11/79/07/627117907.db2.gz YJKHATGXEFTCTD-NEPJUHHUSA-N 2 0 267.804 2.727 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765250077 627126235 /nfs/dbraw/zinc/12/62/35/627126235.db2.gz BAVGPXBRIHDSIM-AEFFLSMTSA-N 2 0 290.451 2.708 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000765781118 627157248 /nfs/dbraw/zinc/15/72/48/627157248.db2.gz UOQLORVQBDSUBP-KRWDZBQOSA-N 2 0 258.409 2.914 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000765805406 627158935 /nfs/dbraw/zinc/15/89/35/627158935.db2.gz BCFHRNRKSAEMJP-OAGGEKHMSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000766027257 627172117 /nfs/dbraw/zinc/17/21/17/627172117.db2.gz GCBGVTGTJGIBEM-OGHNNQOOSA-N 2 0 294.414 2.568 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000766124549 627178241 /nfs/dbraw/zinc/17/82/41/627178241.db2.gz YCALDTRCJVDRIN-WOPDTQHZSA-N 2 0 277.239 2.596 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000766511178 627206615 /nfs/dbraw/zinc/20/66/15/627206615.db2.gz MFSZCCQGTXHHGQ-NALMEZQBSA-N 3 0 293.499 2.856 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC2CCOCC2)cc1 ZINC000769469416 627444241 /nfs/dbraw/zinc/44/42/41/627444241.db2.gz YAKZZFGDHLLDLD-UHFFFAOYSA-N 2 0 290.451 2.997 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOC(C)(C)C)cc1 ZINC000769516857 627450501 /nfs/dbraw/zinc/45/05/01/627450501.db2.gz RVVLBAUUQNZEGN-UHFFFAOYSA-N 2 0 278.440 2.995 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(CC)noc1C ZINC000769873114 627483380 /nfs/dbraw/zinc/48/33/80/627483380.db2.gz OXSNIYQONOLAKF-GXTWGEPZSA-N 2 0 297.443 2.553 20 0 CFADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)OCC[NH+]1CCCCC1 ZINC000770418487 627520695 /nfs/dbraw/zinc/52/06/95/627520695.db2.gz DMJROJXFXWGQNV-UHFFFAOYSA-N 2 0 296.455 2.669 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1cccc(F)c1 ZINC000773047245 627773784 /nfs/dbraw/zinc/77/37/84/627773784.db2.gz NYXDOPVVIWWGBB-DCGLDWPTSA-N 2 0 294.414 2.568 20 0 CFADRP OC(C[NH+]1CCCCCCC1)C[NH+]1CCCCCCC1 ZINC000773735006 627852617 /nfs/dbraw/zinc/85/26/17/627852617.db2.gz WDXBFLYHROAILX-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000774555182 627937154 /nfs/dbraw/zinc/93/71/54/627937154.db2.gz LQFRBTXIQGPJIO-MRXNPFEDSA-N 2 0 296.842 2.647 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000774981285 627983191 /nfs/dbraw/zinc/98/31/91/627983191.db2.gz ZTLHDUCMVOUFEE-CVEARBPZSA-N 2 0 266.429 2.923 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775361378 628015779 /nfs/dbraw/zinc/01/57/79/628015779.db2.gz KCRAVGHMZAABLB-MCIONIFRSA-N 2 0 288.526 2.688 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(F)n3)C2)CC1 ZINC000852008195 634625902 /nfs/dbraw/zinc/62/59/02/634625902.db2.gz URNVTVRJIUSSTC-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777583871 628238979 /nfs/dbraw/zinc/23/89/79/628238979.db2.gz IDGICRPKFXZQCV-OAHLLOKOSA-N 2 0 250.361 2.540 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC000777596172 628239717 /nfs/dbraw/zinc/23/97/17/628239717.db2.gz KYLREKPVPDSJCU-INIZCTEOSA-N 2 0 264.388 2.930 20 0 CFADRP C[C@H](CCO)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000779405437 628379192 /nfs/dbraw/zinc/37/91/92/628379192.db2.gz AGOYQUGLNWTCIE-HPFXQQBRSA-N 2 0 290.451 2.504 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000779987047 628425022 /nfs/dbraw/zinc/42/50/22/628425022.db2.gz TVMFCRFNZNXBPY-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000780289668 628451105 /nfs/dbraw/zinc/45/11/05/628451105.db2.gz PNCQVQXFCVDLGN-RDJZCZTQSA-N 2 0 272.436 2.990 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000783232091 628689692 /nfs/dbraw/zinc/68/96/92/628689692.db2.gz FCBNDEIFNDIPRZ-KBAYOESNSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788482424 629073186 /nfs/dbraw/zinc/07/31/86/629073186.db2.gz VZDDSSZSPSQEFP-BMFZPTHFSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc[nH]c(=O)c1 ZINC000788612862 629086671 /nfs/dbraw/zinc/08/66/71/629086671.db2.gz WGRCKIJGTALJSN-GXTWGEPZSA-N 2 0 279.428 2.804 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790054330 629206422 /nfs/dbraw/zinc/20/64/22/629206422.db2.gz IKMPIVBKVQRLRV-IRXDYDNUSA-N 2 0 290.451 2.663 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCc4ccccc43)C2)C1 ZINC000795322617 629761463 /nfs/dbraw/zinc/76/14/63/629761463.db2.gz XJWSEEVTJAKJIN-AEFFLSMTSA-N 2 0 270.420 2.744 20 0 CFADRP Cc1cnn(C)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000796316764 629902166 /nfs/dbraw/zinc/90/21/66/629902166.db2.gz PBKUSWMHEUMJFA-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(C)c1 ZINC000796831572 629975277 /nfs/dbraw/zinc/97/52/77/629975277.db2.gz GUXHCLZWFNCJQP-UHFFFAOYSA-N 2 0 276.424 2.966 20 0 CFADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797066977 630011779 /nfs/dbraw/zinc/01/17/79/630011779.db2.gz WHBORIIGHAHNKP-IIDMSEBBSA-N 2 0 290.451 2.737 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797066978 630012239 /nfs/dbraw/zinc/01/22/39/630012239.db2.gz WHBORIIGHAHNKP-RLFYNMQTSA-N 2 0 290.451 2.737 20 0 CFADRP Cc1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000797839932 630111182 /nfs/dbraw/zinc/11/11/82/630111182.db2.gz AKQULOYBDGUAGT-AWEZNQCLSA-N 2 0 289.427 2.576 20 0 CFADRP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)nc1 ZINC000798956769 630263802 /nfs/dbraw/zinc/26/38/02/630263802.db2.gz NXNYCQQDAJOSEO-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP Cc1cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000799178307 630283947 /nfs/dbraw/zinc/28/39/47/630283947.db2.gz LKHGVVAVHOTRNY-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)CC1 ZINC000799177309 630284085 /nfs/dbraw/zinc/28/40/85/630284085.db2.gz LLOXIJICPDCRQL-KRWDZBQOSA-N 3 0 293.499 2.669 20 0 CFADRP CC[C@H](O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000799320832 630297554 /nfs/dbraw/zinc/29/75/54/630297554.db2.gz LBWDCMBAOQKEEY-CIRFHOKZSA-N 2 0 290.451 2.504 20 0 CFADRP CCCCCC[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799725075 630340171 /nfs/dbraw/zinc/34/01/71/630340171.db2.gz CVEBLAKNLNUJDK-INIZCTEOSA-N 2 0 283.504 2.961 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)C1CC[NH+](C)CC1 ZINC000800987113 630420459 /nfs/dbraw/zinc/42/04/59/630420459.db2.gz PTNWIKIDMPXAGX-WMLDXEAASA-N 2 0 288.435 2.700 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801914468 630486059 /nfs/dbraw/zinc/48/60/59/630486059.db2.gz IBEJEXXQZSEYCU-UHFFFAOYSA-N 2 0 258.475 2.792 20 0 CFADRP COc1cccc(SCC[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000852741442 634817729 /nfs/dbraw/zinc/81/77/29/634817729.db2.gz SUBCBKLMDJFBEL-UHFFFAOYSA-N 2 0 294.464 2.989 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCC(C2CCCCC2)CC1 ZINC000852744504 634819688 /nfs/dbraw/zinc/81/96/88/634819688.db2.gz CATOVKIHBZYYHO-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000852747982 634821602 /nfs/dbraw/zinc/82/16/02/634821602.db2.gz FHJNJBDQKCZREY-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000852750028 634823493 /nfs/dbraw/zinc/82/34/93/634823493.db2.gz LTJBOYWQMITBMH-KRWDZBQOSA-N 2 0 293.414 2.717 20 0 CFADRP ClC(Cl)=CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852749337 634823722 /nfs/dbraw/zinc/82/37/22/634823722.db2.gz KVEXQPFVZIGFNV-GHMZBOCLSA-N 2 0 263.212 2.627 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852759106 634826629 /nfs/dbraw/zinc/82/66/29/634826629.db2.gz JWKVEXZQCZBPCR-CVEARBPZSA-N 2 0 268.445 2.787 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000852760742 634826769 /nfs/dbraw/zinc/82/67/69/634826769.db2.gz MXWACBKOOLSLSX-KRWDZBQOSA-N 2 0 275.440 2.716 20 0 CFADRP CC(C)CC1(C)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000808780618 631047221 /nfs/dbraw/zinc/04/72/21/631047221.db2.gz UTMNTHDFPJEQRI-MRXNPFEDSA-N 2 0 282.472 2.591 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCCc2cnccc2C)C1 ZINC000809611859 631246092 /nfs/dbraw/zinc/24/60/92/631246092.db2.gz RKRAQHWIUHIVHP-MRXNPFEDSA-N 2 0 275.440 2.644 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1F ZINC000841031959 631311736 /nfs/dbraw/zinc/31/17/36/631311736.db2.gz DUEQXBUHJPUMMI-UHFFFAOYSA-N 2 0 288.366 2.625 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1F ZINC000841032108 631311996 /nfs/dbraw/zinc/31/19/96/631311996.db2.gz LFLXVFMOZBRZHA-UHFFFAOYSA-N 2 0 272.367 2.925 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031894 631312723 /nfs/dbraw/zinc/31/27/23/631312723.db2.gz ANFMOVXXJVSVOO-ZDUSSCGKSA-N 2 0 274.433 2.970 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000841043537 631319523 /nfs/dbraw/zinc/31/95/23/631319523.db2.gz WSKQRARWNQFSMZ-UHFFFAOYSA-N 2 0 272.339 2.604 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH3+])cc(C)c1OC(F)F ZINC000841049677 631321048 /nfs/dbraw/zinc/32/10/48/631321048.db2.gz VFBBNNVBRWHAII-SECBINFHSA-N 2 0 272.339 2.589 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000841055187 631322430 /nfs/dbraw/zinc/32/24/30/631322430.db2.gz TWRVCFGRZMBTIV-UHFFFAOYSA-N 2 0 282.815 2.828 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[NH2+]1 ZINC000841061373 631327947 /nfs/dbraw/zinc/32/79/47/631327947.db2.gz HQXJGKZDAYGGML-WFASDCNBSA-N 2 0 274.408 2.630 20 0 CFADRP c1ccc2ncc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2c1 ZINC000841073725 631330370 /nfs/dbraw/zinc/33/03/70/631330370.db2.gz WTQIFVPSAASFAQ-INIZCTEOSA-N 2 0 269.392 2.857 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841072297 631331249 /nfs/dbraw/zinc/33/12/49/631331249.db2.gz IAKOWUZLYVGWLJ-MRXNPFEDSA-N 2 0 269.392 2.857 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H](C)CCCC[NH3+])cc1C ZINC000841081136 631333433 /nfs/dbraw/zinc/33/34/33/631333433.db2.gz VGSUSFJRMQUMLG-CQSZACIVSA-N 2 0 264.413 2.919 20 0 CFADRP C[C@H](CCO)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810261325 631351840 /nfs/dbraw/zinc/35/18/40/631351840.db2.gz UZGPHCMHFMQORL-SJLPKXTDSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000841849105 631480408 /nfs/dbraw/zinc/48/04/08/631480408.db2.gz SEBXPSAZYYAECE-GFCCVEGCSA-N 2 0 263.385 2.554 20 0 CFADRP CC[C@@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)[NH+](CC)CC ZINC000840234490 631583064 /nfs/dbraw/zinc/58/30/64/631583064.db2.gz BHNBZCALSLZLCA-CABCVRRESA-N 2 0 284.444 2.524 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2CCSCC2)C[C@@H]([NH3+])C1 ZINC000925489560 635688320 /nfs/dbraw/zinc/68/83/20/635688320.db2.gz ZIWMJPIGMFOSBW-OLZOCXBDSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@@H](O)C[N@H+](CCCCCCC[NH3+])C1CCCCC1 ZINC000842472176 631637060 /nfs/dbraw/zinc/63/70/60/631637060.db2.gz UNKIRNMGOYNMMY-OAHLLOKOSA-N 2 0 270.461 2.911 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCCCC[NH3+])CCN1CC(F)F ZINC000842476238 631641241 /nfs/dbraw/zinc/64/12/41/631641241.db2.gz JXJMBFWFVYQKAT-CQSZACIVSA-N 2 0 291.430 2.557 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCc2cccs2)CC1 ZINC000842477720 631641506 /nfs/dbraw/zinc/64/15/06/631641506.db2.gz AHXLEPCZKQEGRY-CVEARBPZSA-N 2 0 294.464 2.509 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC000842674381 631701992 /nfs/dbraw/zinc/70/19/92/631701992.db2.gz ZIUUAUSRYAORHT-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000155612272 650027078 /nfs/dbraw/zinc/02/70/78/650027078.db2.gz QKFJULAIPHZPDU-UHFFFAOYSA-N 2 0 298.471 2.774 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000842923643 631782617 /nfs/dbraw/zinc/78/26/17/631782617.db2.gz IXPDMGPWTAGCON-ORQFMDKSSA-N 2 0 258.409 2.720 20 0 CFADRP COCC1(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCC1 ZINC000812842763 631795221 /nfs/dbraw/zinc/79/52/21/631795221.db2.gz SJMWXVGZPKJCEK-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852612 631798050 /nfs/dbraw/zinc/79/80/50/631798050.db2.gz HWNJYIYQUZWXFX-SZMVWBNQSA-N 2 0 290.451 2.915 20 0 CFADRP Cc1ncc(C[N@@H+](C)C2CCC([NH3+])CC2)n1-c1ccccc1 ZINC000843056005 631819381 /nfs/dbraw/zinc/81/93/81/631819381.db2.gz VYMPZRYSRCVCIN-UHFFFAOYSA-N 2 0 298.434 2.882 20 0 CFADRP C[N@H+](Cc1cnc(C2CC2)s1)C1CCC([NH3+])CC1 ZINC000843055548 631819447 /nfs/dbraw/zinc/81/94/47/631819447.db2.gz GUEZEUMUMNTJEL-UHFFFAOYSA-N 2 0 265.426 2.722 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cnc(Cl)c(C)c2)CC1 ZINC000843057165 631820162 /nfs/dbraw/zinc/82/01/62/631820162.db2.gz FYFXOUMJQLRGBG-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP CCCCn1nc(C)c(CN2C[C@H](C[NH3+])C[C@@H]2C)c1Cl ZINC000843058132 631822102 /nfs/dbraw/zinc/82/21/02/631822102.db2.gz PXBXCGNLACDEQL-AAEUAGOBSA-N 2 0 298.862 2.814 20 0 CFADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000843060577 631823489 /nfs/dbraw/zinc/82/34/89/631823489.db2.gz ZQUCXJQWGGOYFX-RYQLBKOJSA-N 2 0 288.435 2.574 20 0 CFADRP COc1ccc2nc(C[NH2+]C3CCC([NH3+])CC3)sc2c1 ZINC000843103701 631835636 /nfs/dbraw/zinc/83/56/36/631835636.db2.gz BEESIBVCFDALRE-UHFFFAOYSA-N 2 0 291.420 2.664 20 0 CFADRP Cn1cc(-c2ccc(C[NH2+]C3CCC([NH3+])CC3)s2)cn1 ZINC000843103792 631835646 /nfs/dbraw/zinc/83/56/46/631835646.db2.gz CTILLQQIPPYFPE-UHFFFAOYSA-N 2 0 290.436 2.508 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000843105116 631836779 /nfs/dbraw/zinc/83/67/79/631836779.db2.gz QOCYWAAHKWZOHE-GRTSSRMGSA-N 2 0 294.414 2.872 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1COC2 ZINC000843124399 631843082 /nfs/dbraw/zinc/84/30/82/631843082.db2.gz AEMHKUMPQANDNN-HOTGVXAUSA-N 2 0 286.419 2.538 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1COC2 ZINC000843124398 631844280 /nfs/dbraw/zinc/84/42/80/631844280.db2.gz AEMHKUMPQANDNN-CVEARBPZSA-N 2 0 286.419 2.538 20 0 CFADRP [NH3+]CCCCCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000843126221 631844735 /nfs/dbraw/zinc/84/47/35/631844735.db2.gz DJRLIRIITXQDTH-AWEZNQCLSA-N 2 0 262.397 2.661 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)cnc1Cl ZINC000843128367 631848010 /nfs/dbraw/zinc/84/80/10/631848010.db2.gz KOAANFODANMSAJ-UHFFFAOYSA-N 2 0 275.783 2.792 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])oc21 ZINC000843128705 631848220 /nfs/dbraw/zinc/84/82/20/631848220.db2.gz KVTFMUAPALRRMT-MNOVXSKESA-N 2 0 262.353 2.657 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CCCCCC[NH3+])cn1 ZINC000843340956 631931646 /nfs/dbraw/zinc/93/16/46/631931646.db2.gz AYASWMBKMBYBTH-CYBMUJFWSA-N 2 0 252.406 2.634 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)COC2 ZINC000843342313 631932144 /nfs/dbraw/zinc/93/21/44/631932144.db2.gz JVTVPBOOANQESX-CYBMUJFWSA-N 2 0 262.397 2.887 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000843343614 631933128 /nfs/dbraw/zinc/93/31/28/631933128.db2.gz WFNXXGIPJCGBLW-OAHLLOKOSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843343370 631933924 /nfs/dbraw/zinc/93/39/24/631933924.db2.gz SJTKGLIAQYKYDC-AWEZNQCLSA-N 2 0 277.412 2.512 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1cccc(F)c1 ZINC000843360877 631937744 /nfs/dbraw/zinc/93/77/44/631937744.db2.gz KZSXHNFRHJWYSB-GOOCMWNKSA-N 2 0 278.371 2.549 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843363332 631937762 /nfs/dbraw/zinc/93/77/62/631937762.db2.gz XXVVLRDETDDKAT-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000843363331 631937958 /nfs/dbraw/zinc/93/79/58/631937958.db2.gz XXVVLRDETDDKAT-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP ClC1(Cl)C[C@H]1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843386483 631942593 /nfs/dbraw/zinc/94/25/93/631942593.db2.gz JZHUDKUBAPWIIO-LLVKDONJSA-N 2 0 277.239 2.646 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000813876969 631971087 /nfs/dbraw/zinc/97/10/87/631971087.db2.gz FVQOMIRHAHYKJH-UONOGXRCSA-N 2 0 264.413 2.934 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCSCC1 ZINC000925485419 632123251 /nfs/dbraw/zinc/12/32/51/632123251.db2.gz CHRQOBOGPOLXAS-HZPDHXFCSA-N 2 0 282.497 2.888 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(C[NH3+])c1 ZINC000844189565 632132761 /nfs/dbraw/zinc/13/27/61/632132761.db2.gz OOTOOEKACOXOKT-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000844221298 632136336 /nfs/dbraw/zinc/13/63/36/632136336.db2.gz MKSVKFJAHQPUDK-KRWDZBQOSA-N 3 0 281.488 2.846 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000815647255 632304040 /nfs/dbraw/zinc/30/40/40/632304040.db2.gz DJNGDGLCOVNBKU-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000844922441 632332721 /nfs/dbraw/zinc/33/27/21/632332721.db2.gz FGNZEJDPIINEQS-WOPDTQHZSA-N 2 0 250.789 2.798 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@@]1(F)Cl ZINC000844923567 632332725 /nfs/dbraw/zinc/33/27/25/632332725.db2.gz KQLYYNADUHLZGB-RNJOBUHISA-N 2 0 262.800 2.798 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000844919947 632336057 /nfs/dbraw/zinc/33/60/57/632336057.db2.gz JBIILHHJSQVNIO-LBPRGKRZSA-N 2 0 250.361 2.914 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000844923452 632337971 /nfs/dbraw/zinc/33/79/71/632337971.db2.gz GMGKRUWTOZQSNP-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000844923366 632338044 /nfs/dbraw/zinc/33/80/44/632338044.db2.gz FQZPIEIMZXZOHQ-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844924498 632338743 /nfs/dbraw/zinc/33/87/43/632338743.db2.gz LVSPWRNOIAHGCA-GUBZILKMSA-N 2 0 253.217 2.676 20 0 CFADRP CC[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)[C@@H]1CCC[NH2+]1 ZINC000844926644 632339559 /nfs/dbraw/zinc/33/95/59/632339559.db2.gz ZYGPMADTNWDNQL-ZDEQEGDKSA-N 2 0 262.800 2.811 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000925485591 632411865 /nfs/dbraw/zinc/41/18/65/632411865.db2.gz NXPSVCQVYSBUOJ-PMPSAXMXSA-N 2 0 281.488 2.604 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000845942678 632601495 /nfs/dbraw/zinc/60/14/95/632601495.db2.gz QSEKTBGRFYLQNH-QLFBSQMISA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC[N@@H+]1C ZINC000846186788 632656613 /nfs/dbraw/zinc/65/66/13/632656613.db2.gz BVIHRLMLUYXLNW-FDYHWXHSSA-N 2 0 262.800 2.763 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000846218518 632663844 /nfs/dbraw/zinc/66/38/44/632663844.db2.gz WGSOCUKNVPPUMC-INIZCTEOSA-N 2 0 262.397 2.579 20 0 CFADRP CC[N@H+](CCCCCC[NH3+])C[C@@H](O)c1ccc(C)cc1 ZINC000846219002 632664565 /nfs/dbraw/zinc/66/45/65/632664565.db2.gz CCAJZRSCFIDOLK-QGZVFWFLSA-N 2 0 278.440 2.869 20 0 CFADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846218875 632664906 /nfs/dbraw/zinc/66/49/06/632664906.db2.gz XGGZFEVWFSFSKD-JKSUJKDBSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]CCCCCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000846219777 632665564 /nfs/dbraw/zinc/66/55/64/632665564.db2.gz WTHIXKSMGWCHTC-INIZCTEOSA-N 2 0 268.445 2.929 20 0 CFADRP CC[C@](C)([NH2+]CCCCCC[NH3+])c1nccs1 ZINC000846219748 632665730 /nfs/dbraw/zinc/66/57/30/632665730.db2.gz GFYNFBYFFYEKRO-ZDUSSCGKSA-N 2 0 255.431 2.877 20 0 CFADRP [NH3+]CCCCCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000846219778 632665846 /nfs/dbraw/zinc/66/58/46/632665846.db2.gz WTHIXKSMGWCHTC-MRXNPFEDSA-N 2 0 268.445 2.929 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000846220394 632665861 /nfs/dbraw/zinc/66/58/61/632665861.db2.gz IEKLNIRJXCGAKK-UHFFFAOYSA-N 2 0 250.361 2.703 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000846219170 632666338 /nfs/dbraw/zinc/66/63/38/632666338.db2.gz IYWUGOAKCYINJI-DOTOQJQBSA-N 2 0 276.424 2.968 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000846221284 632666696 /nfs/dbraw/zinc/66/66/96/632666696.db2.gz WEIDGFXPGWIRPP-MRXNPFEDSA-N 2 0 268.445 2.787 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000817890702 632718112 /nfs/dbraw/zinc/71/81/12/632718112.db2.gz XMUUWMXRTDHWAW-LZLYRXPVSA-N 2 0 290.451 2.929 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817890683 632718777 /nfs/dbraw/zinc/71/87/77/632718777.db2.gz XBRLDRXEJRRRDW-KFKAGJAMSA-N 2 0 298.430 2.577 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)CC[NH2+]CC1 ZINC000817894333 632719815 /nfs/dbraw/zinc/71/98/15/632719815.db2.gz LNFLYDRMFJMWKG-KGLIPLIRSA-N 2 0 298.471 2.580 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817895062 632720557 /nfs/dbraw/zinc/72/05/57/632720557.db2.gz UGTWHNDQORHGTC-NWDGAFQWSA-N 2 0 293.436 2.701 20 0 CFADRP CCCCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817898616 632722022 /nfs/dbraw/zinc/72/20/22/632722022.db2.gz JYQZGSXLTSVAKI-RBSFLKMASA-N 2 0 270.461 2.935 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000817897514 632722065 /nfs/dbraw/zinc/72/20/65/632722065.db2.gz RLWVFTJSLLVOML-DOMZBBRYSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817898550 632722935 /nfs/dbraw/zinc/72/29/35/632722935.db2.gz IRRGFTLETCDYEW-IAGOWNOFSA-N 2 0 285.391 2.958 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817899956 632724604 /nfs/dbraw/zinc/72/46/04/632724604.db2.gz QXPYXNRBQAXOIF-ZFWWWQNUSA-N 2 0 280.387 2.572 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)SC ZINC000817901822 632725484 /nfs/dbraw/zinc/72/54/84/632725484.db2.gz XYVKRRLOANBTIL-OLZOCXBDSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817905908 632728344 /nfs/dbraw/zinc/72/83/44/632728344.db2.gz VKGHGNKCUWVPSC-WNOSKKOXSA-N 2 0 294.414 2.745 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817910489 632729792 /nfs/dbraw/zinc/72/97/92/632729792.db2.gz UFIBQVJWLICLGG-ACJLOTCBSA-N 2 0 299.418 2.541 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914651 632732203 /nfs/dbraw/zinc/73/22/03/632732203.db2.gz WZONVJJUWKRHCX-DLBZAZTESA-N 3 0 281.488 2.750 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000817916861 632733080 /nfs/dbraw/zinc/73/30/80/632733080.db2.gz LQJHIHJFLHDFJN-YGRLFVJLSA-N 2 0 288.794 2.620 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817917205 632733114 /nfs/dbraw/zinc/73/31/14/632733114.db2.gz MYSMMSWALXFJTK-HOCLYGCPSA-N 2 0 276.424 2.607 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1C ZINC000817936395 632741905 /nfs/dbraw/zinc/74/19/05/632741905.db2.gz OCSMVEDSJVVKQX-CYBMUJFWSA-N 2 0 262.397 2.715 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817937239 632741948 /nfs/dbraw/zinc/74/19/48/632741948.db2.gz RBBVKIWOOBBANK-NXEZZACHSA-N 2 0 253.217 2.677 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000817945434 632747711 /nfs/dbraw/zinc/74/77/11/632747711.db2.gz CRZUYBYMRIFFJA-OLZOCXBDSA-N 2 0 250.361 2.784 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950248 632750047 /nfs/dbraw/zinc/75/00/47/632750047.db2.gz XCTQZWHNAGRQNV-CYBMUJFWSA-N 2 0 274.433 2.970 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cn1 ZINC000817950246 632750515 /nfs/dbraw/zinc/75/05/15/632750515.db2.gz XBNOILRGGDBDLG-GFCCVEGCSA-N 2 0 273.355 2.573 20 0 CFADRP COCc1cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)ccc1OC ZINC000817951805 632752574 /nfs/dbraw/zinc/75/25/74/632752574.db2.gz AUQMTGHHSXIERD-AWEZNQCLSA-N 2 0 294.439 2.880 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961285 632760661 /nfs/dbraw/zinc/76/06/61/632760661.db2.gz WJKCVDCDJLQFEL-RCBQFDQVSA-N 2 0 274.408 2.790 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1C ZINC000817962186 632762372 /nfs/dbraw/zinc/76/23/72/632762372.db2.gz IFDPLHONTOSVCC-GWCFXTLKSA-N 2 0 250.386 2.557 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccc2c(c1)CCO2 ZINC000817964215 632763264 /nfs/dbraw/zinc/76/32/64/632763264.db2.gz ZRPXOBNXKCZOLE-IUODEOHRSA-N 2 0 262.397 2.790 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1C ZINC000817971016 632769990 /nfs/dbraw/zinc/76/99/90/632769990.db2.gz JGDCYHFADCTJAT-OFQRWUPVSA-N 2 0 276.424 2.961 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000817971693 632771002 /nfs/dbraw/zinc/77/10/02/632771002.db2.gz PECYEGHJNFNBHN-RCBQFDQVSA-N 2 0 274.408 2.660 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000817971222 632771389 /nfs/dbraw/zinc/77/13/89/632771389.db2.gz KZCCDAIINQWYBH-DVOMOZLQSA-N 2 0 292.423 2.633 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000817972463 632772231 /nfs/dbraw/zinc/77/22/31/632772231.db2.gz XUIODQLRCXCGHD-WQVCFCJDSA-N 2 0 274.408 2.803 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cnn(-c2ccccc2)c1 ZINC000817978085 632775558 /nfs/dbraw/zinc/77/55/58/632775558.db2.gz VPWUIQZYBQGRLP-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)nc1 ZINC000817982682 632780358 /nfs/dbraw/zinc/78/03/58/632780358.db2.gz VJWRUBJTINQQKN-HOSYDEDBSA-N 2 0 253.777 2.513 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817983724 632780400 /nfs/dbraw/zinc/78/04/00/632780400.db2.gz JGITXFVNXRRNRE-CYBMUJFWSA-N 2 0 272.392 2.582 20 0 CFADRP BrC1(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000846824890 632811519 /nfs/dbraw/zinc/81/15/19/632811519.db2.gz HIZRNGVTFZXYBC-SNVBAGLBSA-N 2 0 284.201 2.517 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000818953926 632914742 /nfs/dbraw/zinc/91/47/42/632914742.db2.gz ROENYNMSVUHSAI-IBGZPJMESA-N 2 0 298.430 2.880 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000818968997 632917592 /nfs/dbraw/zinc/91/75/92/632917592.db2.gz IPJPKPFHHBGMCF-MRXNPFEDSA-N 2 0 276.424 2.573 20 0 CFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000819050382 632943653 /nfs/dbraw/zinc/94/36/53/632943653.db2.gz SXLIJZLVHKARMR-SFHVURJKSA-N 2 0 290.451 2.966 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819107186 632966467 /nfs/dbraw/zinc/96/64/67/632966467.db2.gz VNIODDGYSZYKQU-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(C)cc2)CC1 ZINC000819105682 632966750 /nfs/dbraw/zinc/96/67/50/632966750.db2.gz HMWFLOIQAYUGLR-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819184535 633003196 /nfs/dbraw/zinc/00/31/96/633003196.db2.gz DEPNFPWSJOWXBA-QWFMPGPPSA-N 2 0 294.414 2.569 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819186501 633005480 /nfs/dbraw/zinc/00/54/80/633005480.db2.gz YZUWPJIYXFPSTN-QWFMPGPPSA-N 2 0 294.414 2.569 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000819185402 633005958 /nfs/dbraw/zinc/00/59/58/633005958.db2.gz OGDWMSGGKSXOHC-VMWRSERWSA-N 2 0 290.451 2.738 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000819221264 633025863 /nfs/dbraw/zinc/02/58/63/633025863.db2.gz WNQPPQLZSAKOLE-LRDDRELGSA-N 2 0 294.826 2.613 20 0 CFADRP C[C@H](CC[NH2+]C[C@@H](O)c1ccccc1)[NH+]1CCCCC1 ZINC000819231393 633029176 /nfs/dbraw/zinc/02/91/76/633029176.db2.gz VMKBGQXDMGWZHU-NVXWUHKLSA-N 2 0 276.424 2.574 20 0 CFADRP CC(C)(C[NH2+]C[C@@H](O)c1cccc(F)c1)C[NH+]1CCCC1 ZINC000819260855 633043751 /nfs/dbraw/zinc/04/37/51/633043751.db2.gz WBWVMIYVSDYHDH-MRXNPFEDSA-N 2 0 294.414 2.571 20 0 CFADRP CC(C)c1ccccc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000848536691 633281582 /nfs/dbraw/zinc/28/15/82/633281582.db2.gz VINUSNUQDPIVOU-MRXNPFEDSA-N 2 0 289.467 2.536 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000848568328 633291467 /nfs/dbraw/zinc/29/14/67/633291467.db2.gz GFQIVOFXGCZWME-MSOLQXFVSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1(Cl)Cl ZINC000848721302 633324921 /nfs/dbraw/zinc/32/49/21/633324921.db2.gz ZZSJOSIFEBNQLN-DCAQKATOSA-N 2 0 265.228 2.820 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848722443 633325082 /nfs/dbraw/zinc/32/50/82/633325082.db2.gz NBNLWNVOAIMFMT-WCXIOVBPSA-N 2 0 276.424 2.604 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])NC2CCCC2)C1 ZINC000848990082 633418880 /nfs/dbraw/zinc/41/88/80/633418880.db2.gz XNTCZHVTPUGGRD-GASCZTMLSA-N 2 0 294.487 2.801 20 0 CFADRP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000848995651 633451065 /nfs/dbraw/zinc/45/10/65/633451065.db2.gz ZKEULSJDWMVVCZ-LLVKDONJSA-N 2 0 296.365 2.775 20 0 CFADRP CC[NH+]1CCC(CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000848996083 633451284 /nfs/dbraw/zinc/45/12/84/633451284.db2.gz FBFVGHJXSMTMHE-UHFFFAOYSA-N 2 0 288.439 2.972 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000849008874 633458154 /nfs/dbraw/zinc/45/81/54/633458154.db2.gz GQBXDSKZQQOKKA-ZBFHGGJFSA-N 2 0 288.439 2.563 20 0 CFADRP CC1(C)CCC[N@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849022995 633465318 /nfs/dbraw/zinc/46/53/18/633465318.db2.gz CNYYSKHXGGEFMN-UHFFFAOYSA-N 2 0 274.412 2.745 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCC[N@@H+]2CCCC2(C)C)c1 ZINC000849039425 633475337 /nfs/dbraw/zinc/47/53/37/633475337.db2.gz XXCYALIJMKUTRK-UHFFFAOYSA-N 2 0 274.412 2.806 20 0 CFADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000849040718 633476670 /nfs/dbraw/zinc/47/66/70/633476670.db2.gz CRYPOSOVNLLFSX-AWEZNQCLSA-N 2 0 280.460 2.555 20 0 CFADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000849040720 633476690 /nfs/dbraw/zinc/47/66/90/633476690.db2.gz CRYPOSOVNLLFSX-CQSZACIVSA-N 2 0 280.460 2.555 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849049783 633480719 /nfs/dbraw/zinc/48/07/19/633480719.db2.gz RPMBRDSUNCFKET-KFWWJZLASA-N 2 0 282.476 2.655 20 0 CFADRP CC(C)C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[NH+]1CCCC1 ZINC000849053363 633481601 /nfs/dbraw/zinc/48/16/01/633481601.db2.gz BFXJACCWHAHTKM-CVEARBPZSA-N 2 0 294.487 2.753 20 0 CFADRP CS[C@H]1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850163053 633864786 /nfs/dbraw/zinc/86/47/86/633864786.db2.gz WWMNUEURZYZMMM-DOMZBBRYSA-N 2 0 288.420 2.641 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000850419119 633984453 /nfs/dbraw/zinc/98/44/53/633984453.db2.gz BPSDVGXMOWCSLF-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP CSCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000850509074 634024019 /nfs/dbraw/zinc/02/40/19/634024019.db2.gz XNLGGRKJTPTKDA-AGUYFDCRSA-N 2 0 268.470 2.735 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2SCCS2)CC1 ZINC000850560354 634053629 /nfs/dbraw/zinc/05/36/29/634053629.db2.gz KEKAXABOIYTKIP-UHFFFAOYSA-N 2 0 274.499 2.645 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000850582780 634060655 /nfs/dbraw/zinc/06/06/55/634060655.db2.gz LGDZFTDWKNXAOZ-SJORKVTESA-N 2 0 292.467 2.656 20 0 CFADRP CCc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858162966 636144788 /nfs/dbraw/zinc/14/47/88/636144788.db2.gz STNWDGLJOLXTQB-SJORKVTESA-N 2 0 290.451 2.745 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1SCCS1 ZINC000853023020 634879786 /nfs/dbraw/zinc/87/97/86/634879786.db2.gz KOELXKSRSQEOLI-CHWSQXEVSA-N 2 0 286.510 2.647 20 0 CFADRP Cc1nc(F)ccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092892 634901369 /nfs/dbraw/zinc/90/13/69/634901369.db2.gz SRSJSFYMBMDZRR-HNNXBMFYSA-N 2 0 291.414 2.741 20 0 CFADRP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239585 634948771 /nfs/dbraw/zinc/94/87/71/634948771.db2.gz IHAYGTGEZCCFRL-OIISXLGYSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000853249143 634951504 /nfs/dbraw/zinc/95/15/04/634951504.db2.gz NOQLGBSWBDGDCX-XJKSGUPXSA-N 2 0 274.408 2.804 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221370 635260981 /nfs/dbraw/zinc/26/09/81/635260981.db2.gz LBJMJACXVJSOOC-JCGIZDLHSA-N 2 0 284.403 2.590 20 0 CFADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc2ccccc21 ZINC000854221464 635261601 /nfs/dbraw/zinc/26/16/01/635261601.db2.gz MWKDROVYUALDPT-IEBWDACRSA-N 2 0 296.414 2.746 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000854232272 635267634 /nfs/dbraw/zinc/26/76/34/635267634.db2.gz OTUHHHFONRLSJW-AVGNSLFASA-N 2 0 262.397 2.788 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857065227 635923053 /nfs/dbraw/zinc/92/30/53/635923053.db2.gz KSHYPCJFAKFUQL-SCVCMEIPSA-N 2 0 277.239 2.643 20 0 CFADRP Clc1ccc2c(n1)[C@H]([NH2+][C@@H]1CCn3ccnc3C1)CC2 ZINC000857910280 636061405 /nfs/dbraw/zinc/06/14/05/636061405.db2.gz GMEZVWMMMZKFGV-VXGBXAGGSA-N 2 0 288.782 2.523 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccnc(F)c1 ZINC000858108565 636127686 /nfs/dbraw/zinc/12/76/86/636127686.db2.gz IHZBXRSLXFRDQI-UHFFFAOYSA-N 2 0 267.392 2.822 20 0 CFADRP Fc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)ccn1 ZINC000858136792 636137129 /nfs/dbraw/zinc/13/71/29/636137129.db2.gz SXNACHYGBSGSLJ-UHFFFAOYSA-N 2 0 279.403 2.967 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccc2)CC1(C)C ZINC000858148911 636141019 /nfs/dbraw/zinc/14/10/19/636141019.db2.gz QJCKAWGSMJXZFB-HNNXBMFYSA-N 2 0 261.413 2.561 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)CC1(C)C ZINC000858155336 636142638 /nfs/dbraw/zinc/14/26/38/636142638.db2.gz HEHGCIFVQCVPAD-LSDHHAIUSA-N 2 0 296.455 2.525 20 0 CFADRP OCc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc[nH+]1 ZINC000858316614 636187556 /nfs/dbraw/zinc/18/75/56/636187556.db2.gz ZLIUQOKMFGIUEO-SFHVURJKSA-N 2 0 297.402 2.823 20 0 CFADRP CCC(CC)[C@@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCC1 ZINC000858337494 636197584 /nfs/dbraw/zinc/19/75/84/636197584.db2.gz HZIMULYVFUXDIU-QGZVFWFLSA-N 2 0 291.439 2.886 20 0 CFADRP OCc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc[nH+]1 ZINC000858340386 636198312 /nfs/dbraw/zinc/19/83/12/636198312.db2.gz FBNJWXZYXZTYOA-SFHVURJKSA-N 2 0 297.402 2.823 20 0 CFADRP C[C@H](CNc1cc[nH+]c(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000858405279 636222582 /nfs/dbraw/zinc/22/25/82/636222582.db2.gz DJHDIDJDMNQRRL-CQSZACIVSA-N 2 0 285.391 2.506 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(CO)cc2)cc1 ZINC000859213567 636506535 /nfs/dbraw/zinc/50/65/35/636506535.db2.gz XKEMRQMMJFUCNJ-UHFFFAOYSA-N 2 0 298.430 2.873 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000859213338 636507472 /nfs/dbraw/zinc/50/74/72/636507472.db2.gz VVALCVNZLSXTQT-RHSMWYFYSA-N 2 0 276.424 2.748 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@H]1CCC=CO1)C(C)C ZINC000194502256 636785260 /nfs/dbraw/zinc/78/52/60/636785260.db2.gz AHSDBLNXELFNNZ-OAHLLOKOSA-N 2 0 254.418 2.778 20 0 CFADRP CCOC(=O)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000862343327 637325339 /nfs/dbraw/zinc/32/53/39/637325339.db2.gz KGGDJLRETJIVGS-AWEZNQCLSA-N 2 0 296.455 2.572 20 0 CFADRP CCCCOC(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860883 650350929 /nfs/dbraw/zinc/35/09/29/650350929.db2.gz KXRWCQYJGYBPHQ-HNNXBMFYSA-N 2 0 284.444 2.526 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000188979479 650353592 /nfs/dbraw/zinc/35/35/92/650353592.db2.gz WLJPFXGFHMKOFI-UHFFFAOYSA-N 2 0 273.355 2.572 20 0 CFADRP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000863544415 637692052 /nfs/dbraw/zinc/69/20/52/637692052.db2.gz SYDKTFBAHHTNDS-BMFZPTHFSA-N 2 0 294.439 2.539 20 0 CFADRP C[NH2+]C[C@H](O)c1cccc(-c2cccc(C[NH+](C)C)c2)c1 ZINC000863691371 637747797 /nfs/dbraw/zinc/74/77/97/637747797.db2.gz BQFRBCZXVJZKBP-SFHVURJKSA-N 2 0 284.403 2.668 20 0 CFADRP C[NH2+]C[C@H](O)c1cccc(-c2ccc(CC[NH+](C)C)cc2)c1 ZINC000863712876 637753053 /nfs/dbraw/zinc/75/30/53/637753053.db2.gz BTAATDOLHDWIGQ-IBGZPJMESA-N 2 0 298.430 2.711 20 0 CFADRP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C2(CCC2)CO1 ZINC000864049282 637843741 /nfs/dbraw/zinc/84/37/41/637843741.db2.gz DFTAJBWBZHHOET-LBPRGKRZSA-N 2 0 292.448 2.537 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000925493685 638307154 /nfs/dbraw/zinc/30/71/54/638307154.db2.gz LOXCSDPZAVVXMU-ZFWWWQNUSA-N 2 0 293.480 2.615 20 0 CFADRP Fc1cccc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cnc12 ZINC000865411310 638319357 /nfs/dbraw/zinc/31/93/57/638319357.db2.gz ASZDZTYTTKVGMI-ZDUSSCGKSA-N 2 0 299.393 2.948 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865436238 638333958 /nfs/dbraw/zinc/33/39/58/638333958.db2.gz YGSSKTGASNRFHV-UHFFFAOYSA-N 2 0 275.371 2.805 20 0 CFADRP CCOc1cc(F)cc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000865522306 638394240 /nfs/dbraw/zinc/39/42/40/638394240.db2.gz NWARUYKRXMBPLV-UHFFFAOYSA-N 2 0 278.371 2.576 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)CO1 ZINC000865716849 638531342 /nfs/dbraw/zinc/53/13/42/638531342.db2.gz FYJIAFKJSDCKOD-JKSUJKDBSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCS2)CC1(C)C ZINC000865725988 638538113 /nfs/dbraw/zinc/53/81/13/638538113.db2.gz RYIZODMHQKGUIB-QWHCGFSZSA-N 2 0 256.459 2.735 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865788509 638575970 /nfs/dbraw/zinc/57/59/70/638575970.db2.gz TXMHOEYBVXNCFD-NWDGAFQWSA-N 2 0 296.402 2.888 20 0 CFADRP Cc1cc(N2CCC3(CC2)CC[NH+](C)CC3)cc[nH+]1 ZINC000866055379 638716728 /nfs/dbraw/zinc/71/67/28/638716728.db2.gz VONZTNZRJHDMDU-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(c3ccnc4ccsc43)CC[C@H]21 ZINC000866207553 638770377 /nfs/dbraw/zinc/77/03/77/638770377.db2.gz XIPFZRQKCJSCHL-DGCLKSJQSA-N 2 0 273.405 2.827 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866259337 638782510 /nfs/dbraw/zinc/78/25/10/638782510.db2.gz LJOAOGDEYMUCQV-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000866280130 638788374 /nfs/dbraw/zinc/78/83/74/638788374.db2.gz NYMGWFGOKBSOBO-RDJZCZTQSA-N 2 0 293.455 2.725 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866289483 638789839 /nfs/dbraw/zinc/78/98/39/638789839.db2.gz DTPFAAVDKAVWLV-HNNXBMFYSA-N 2 0 275.440 2.865 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000866397654 638814598 /nfs/dbraw/zinc/81/45/98/638814598.db2.gz IJBTUQCOOHNAHG-NVXWUHKLSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CCCCO)CC1 ZINC000866467590 638826063 /nfs/dbraw/zinc/82/60/63/638826063.db2.gz LMBAYISYIWDIMX-OAHLLOKOSA-N 2 0 270.461 2.638 20 0 CFADRP CCOC1CC([NH2+]CCC2CC[NH+](C(C)C)CC2)C1 ZINC000866467470 638826212 /nfs/dbraw/zinc/82/62/12/638826212.db2.gz IUKNQMNPKRJURY-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467627 638826259 /nfs/dbraw/zinc/82/62/59/638826259.db2.gz MDXNGGFQQGWTGL-KGLIPLIRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)C[C@@H]2CCOC2)CC1 ZINC000866467418 638826298 /nfs/dbraw/zinc/82/62/98/638826298.db2.gz HKXVFLPFLMGXOG-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000866487198 638829626 /nfs/dbraw/zinc/82/96/26/638829626.db2.gz VWFSDSUPEXBZSC-JOCQHMNTSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H]([NH2+]Cc1noc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC000866512978 638833454 /nfs/dbraw/zinc/83/34/54/638833454.db2.gz HHMQVSPHWPQNQW-NSHDSACASA-N 2 0 291.370 2.787 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)no1 ZINC000866516945 638834418 /nfs/dbraw/zinc/83/44/18/638834418.db2.gz DXTVTNRGTUFNOH-OPFPJEHXSA-N 2 0 265.401 2.897 20 0 CFADRP C[C@H]([NH2+]CCSCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000866542944 638839862 /nfs/dbraw/zinc/83/98/62/638839862.db2.gz JFAYFLMLHFBWRD-NSHDSACASA-N 2 0 298.418 2.992 20 0 CFADRP CC1(C)CC[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)OC1 ZINC000866666118 638863146 /nfs/dbraw/zinc/86/31/46/638863146.db2.gz NXUYDHCBASATMW-CVEARBPZSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOc2ccccc2F)C1 ZINC000866702549 638867706 /nfs/dbraw/zinc/86/77/06/638867706.db2.gz COONBWHLXUZXNU-QGZVFWFLSA-N 2 0 294.414 2.901 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705705 638868002 /nfs/dbraw/zinc/86/80/02/638868002.db2.gz HNTOCQMSPNOLRF-HNNXBMFYSA-N 2 0 281.469 2.691 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000866705980 638868022 /nfs/dbraw/zinc/86/80/22/638868022.db2.gz DKSLRYWYNDFTKQ-GOSISDBHSA-N 2 0 288.435 2.914 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000866705981 638868391 /nfs/dbraw/zinc/86/83/91/638868391.db2.gz DKSLRYWYNDFTKQ-SFHVURJKSA-N 2 0 288.435 2.914 20 0 CFADRP Cc1cncc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000866721344 638870320 /nfs/dbraw/zinc/87/03/20/638870320.db2.gz VCJAGRDTCXZOFX-DOTOQJQBSA-N 2 0 273.424 2.917 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000121223834 638874909 /nfs/dbraw/zinc/87/49/09/638874909.db2.gz RWBXVWDTHNSYNX-IPYPFGDCSA-N 2 0 296.480 2.880 20 0 CFADRP C[C@H](CN[C@@H](C)c1cccc(O)c1F)C[NH+]1CCCC1 ZINC000872025883 641556473 /nfs/dbraw/zinc/55/64/73/641556473.db2.gz VIOMLRBEQZUSJS-OLZOCXBDSA-N 2 0 280.387 2.914 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872028338 641559261 /nfs/dbraw/zinc/55/92/61/641559261.db2.gz JGSUBFIHNIZFNS-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CC ZINC000872033691 641564646 /nfs/dbraw/zinc/56/46/46/641564646.db2.gz DRRKASJBPZFBCA-NVXWUHKLSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(O)c1F ZINC000872034899 641565514 /nfs/dbraw/zinc/56/55/14/641565514.db2.gz RHOCYLCVXTXNQS-LLVKDONJSA-N 2 0 266.360 2.524 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000872035286 641567396 /nfs/dbraw/zinc/56/73/96/641567396.db2.gz VRGWANMKPHLTTE-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872041649 641576718 /nfs/dbraw/zinc/57/67/18/641576718.db2.gz JKTAGIJJXKRDLX-TZMCWYRMSA-N 2 0 298.402 2.539 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC(C)(C)C1 ZINC000872041609 641576945 /nfs/dbraw/zinc/57/69/45/641576945.db2.gz VGJSOLHZRDVPJB-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872063544 641594974 /nfs/dbraw/zinc/59/49/74/641594974.db2.gz XFPAYVHAQIEVCZ-ZDUSSCGKSA-N 2 0 298.402 2.540 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000872065448 641597497 /nfs/dbraw/zinc/59/74/97/641597497.db2.gz BHPMJWDKWPRGGQ-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)C[NH+](C)C ZINC000872073968 641605762 /nfs/dbraw/zinc/60/57/62/641605762.db2.gz ULQXQDXOFMCPTC-WDEREUQCSA-N 2 0 254.340 2.895 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCOC1 ZINC000872079497 641612406 /nfs/dbraw/zinc/61/24/06/641612406.db2.gz NTVXAYXNAHQHBU-GDBMZVCRSA-N 2 0 273.380 2.629 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000872088895 641622424 /nfs/dbraw/zinc/62/24/24/641622424.db2.gz WJFJJDKZSYOCEZ-XHSDSOJGSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000872136539 641664738 /nfs/dbraw/zinc/66/47/38/641664738.db2.gz LZBJRKKUHISKFM-MSOLQXFVSA-N 2 0 290.451 2.961 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872143818 641670662 /nfs/dbraw/zinc/67/06/62/641670662.db2.gz RDWUSYQXXGGCQY-SNVBAGLBSA-N 2 0 276.302 2.859 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000872144848 641671191 /nfs/dbraw/zinc/67/11/91/641671191.db2.gz KHGTWNNPBJQGND-XMTFNYHQSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1scnc1Cl)CC[NH2+]CC2 ZINC000872144115 641671659 /nfs/dbraw/zinc/67/16/59/641671659.db2.gz CSYNTKSNFWJKPB-SNVBAGLBSA-N 2 0 285.844 2.761 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000872145254 641672436 /nfs/dbraw/zinc/67/24/36/641672436.db2.gz QSORBLQLJIUVPK-IAGOWNOFSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCc3c1cccc3Cl)C2 ZINC000872154245 641675380 /nfs/dbraw/zinc/67/53/80/641675380.db2.gz OWHSIHPQTVKELP-IUIKQTSFSA-N 2 0 276.811 2.869 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000872153759 641675843 /nfs/dbraw/zinc/67/58/43/641675843.db2.gz PAPJMFSWRHNHNQ-FUHWJXTLSA-N 2 0 288.435 2.614 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2ccno2)C1)C1CCCC1 ZINC000872156464 641677098 /nfs/dbraw/zinc/67/70/98/641677098.db2.gz JZJCOVQYSYHTTP-CJNGLKHVSA-N 2 0 277.412 2.794 20 0 CFADRP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155654 641677568 /nfs/dbraw/zinc/67/75/68/641677568.db2.gz XPRAKUGQJFHNMT-HNNXBMFYSA-N 2 0 291.439 2.773 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156238 641677673 /nfs/dbraw/zinc/67/76/73/641677673.db2.gz GUURGYLHRWPSDR-JFIYKMOQSA-N 3 0 293.499 2.606 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCOC(F)F)C1)C1CCCC1 ZINC000872158899 641678685 /nfs/dbraw/zinc/67/86/85/641678685.db2.gz YXWMRFLNDVITTN-OCCSQVGLSA-N 2 0 290.398 2.845 20 0 CFADRP Cn1cncc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158122 641678693 /nfs/dbraw/zinc/67/86/93/641678693.db2.gz TWDOHSALPHEFRJ-YOEHRIQHSA-N 2 0 290.455 2.540 20 0 CFADRP COC(=O)CCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158894 641678781 /nfs/dbraw/zinc/67/87/81/641678781.db2.gz YWROISZVBXSVIG-GOEBONIOSA-N 2 0 296.455 2.559 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000872251459 641717800 /nfs/dbraw/zinc/71/78/00/641717800.db2.gz JHDCCAGIYKASAJ-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252734 641718939 /nfs/dbraw/zinc/71/89/39/641718939.db2.gz VARFYZFXXNAPPJ-XHSDSOJGSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872255333 641720441 /nfs/dbraw/zinc/72/04/41/641720441.db2.gz CCSBBJCMVSLENV-GDBMZVCRSA-N 2 0 268.445 2.783 20 0 CFADRP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872432789 641808879 /nfs/dbraw/zinc/80/88/79/641808879.db2.gz GTGRZXVADHCYFN-AWEZNQCLSA-N 2 0 259.397 2.926 20 0 CFADRP CC(C)OCC[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872471333 641823450 /nfs/dbraw/zinc/82/34/50/641823450.db2.gz LLYIXXQYIGXWNM-UHFFFAOYSA-N 2 0 289.423 2.506 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@H]21 ZINC000872484537 641828228 /nfs/dbraw/zinc/82/82/28/641828228.db2.gz FYUBJEWUDGRTML-GDBMZVCRSA-N 2 0 271.408 2.880 20 0 CFADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208785 642067158 /nfs/dbraw/zinc/06/71/58/642067158.db2.gz VAEPYVXYNHQIQQ-GXTWGEPZSA-N 2 0 294.464 2.519 20 0 CFADRP CCC[C@]1(CO)CCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211343 642069138 /nfs/dbraw/zinc/06/91/38/642069138.db2.gz ZBEVVJPJUSSXLT-MRXNPFEDSA-N 2 0 294.464 2.521 20 0 CFADRP CC(C)OCC(C)(C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873214022 642069770 /nfs/dbraw/zinc/06/97/70/642069770.db2.gz VAURXDJKYCMBEB-UHFFFAOYSA-N 2 0 282.453 2.687 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000873216421 642071598 /nfs/dbraw/zinc/07/15/98/642071598.db2.gz RPYBUSPSAMEJDP-MDMSPXHWSA-N 2 0 285.435 2.834 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873216780 642071914 /nfs/dbraw/zinc/07/19/14/642071914.db2.gz XHZJFGWSOSWRAP-JKSUJKDBSA-N 2 0 299.443 2.821 20 0 CFADRP C[C@H]([NH2+]Cc1sccc1Cl)C1CC[NH2+]CC1 ZINC000873219876 642072521 /nfs/dbraw/zinc/07/25/21/642072521.db2.gz GUYHPLCGZSBIRP-VIFPVBQESA-N 2 0 258.818 2.879 20 0 CFADRP C[C@H]([NH2+]Cc1c[nH]nc1-c1ccsc1)C1CC[NH2+]CC1 ZINC000873220115 642072936 /nfs/dbraw/zinc/07/29/36/642072936.db2.gz JRHZPRWVKRJDNV-NSHDSACASA-N 2 0 290.436 2.616 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220146 642073027 /nfs/dbraw/zinc/07/30/27/642073027.db2.gz KNHDBVGEKNISBO-GFCCVEGCSA-N 2 0 264.388 2.866 20 0 CFADRP Cc1ccc(F)c(C[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873221366 642073971 /nfs/dbraw/zinc/07/39/71/642073971.db2.gz RNEYCMLRKKYRBQ-GFCCVEGCSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C1CC[NH2+]CC1 ZINC000873221458 642074015 /nfs/dbraw/zinc/07/40/15/642074015.db2.gz KSYHLXOEVAPYDF-CYBMUJFWSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)C1CC[NH2+]CC1 ZINC000873221641 642074879 /nfs/dbraw/zinc/07/48/79/642074879.db2.gz MDUVLTZIQZDBBC-CQSZACIVSA-N 2 0 296.418 2.621 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CC2 ZINC000873221530 642075510 /nfs/dbraw/zinc/07/55/10/642075510.db2.gz VRHIALZYBLSKNV-DYVFJYSZSA-N 2 0 288.435 2.530 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873222565 642076450 /nfs/dbraw/zinc/07/64/50/642076450.db2.gz ZTIMRUMPTNBOCO-ZFWWWQNUSA-N 2 0 274.408 2.530 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1F ZINC000873222549 642076646 /nfs/dbraw/zinc/07/66/46/642076646.db2.gz ZBHOMNPZQBXEPW-LBPRGKRZSA-N 2 0 250.361 2.612 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000873222814 642076709 /nfs/dbraw/zinc/07/67/09/642076709.db2.gz CNKZIXZHRNZPSM-BFYDXBDKSA-N 2 0 282.472 2.889 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873223208 642076812 /nfs/dbraw/zinc/07/68/12/642076812.db2.gz IUPJPGJRJDMVBS-ZDUSSCGKSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1ncsc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873224203 642077810 /nfs/dbraw/zinc/07/78/10/642077810.db2.gz XNLOWMGSUKOSDH-AWEZNQCLSA-N 2 0 267.442 2.648 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc3ccccc3s1)C2 ZINC000873229349 642081792 /nfs/dbraw/zinc/08/17/92/642081792.db2.gz UQUWOUUTCCLGSN-XJKSGUPXSA-N 2 0 272.417 2.943 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873232247 642084812 /nfs/dbraw/zinc/08/48/12/642084812.db2.gz DENIPAKASUDWHP-MRXNPFEDSA-N 2 0 273.424 2.792 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)o1 ZINC000873232393 642087402 /nfs/dbraw/zinc/08/74/02/642087402.db2.gz XXECVSBBZHVCGS-MRXNPFEDSA-N 2 0 292.423 2.828 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000873235299 642088471 /nfs/dbraw/zinc/08/84/71/642088471.db2.gz NLKUADCXELDXEP-YESZJQIVSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCSC1 ZINC000873235762 642088722 /nfs/dbraw/zinc/08/87/22/642088722.db2.gz QBRKZMCUFMVMMA-BPUTZDHNSA-N 2 0 278.465 2.678 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000873241615 642091260 /nfs/dbraw/zinc/09/12/60/642091260.db2.gz HPGFWCCNDXGYHT-IRXDYDNUSA-N 3 0 281.488 2.617 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCC2(CC2)CC1 ZINC000873243341 642092169 /nfs/dbraw/zinc/09/21/69/642092169.db2.gz WYBVWXOWVAVTEQ-IXDOHACOSA-N 2 0 292.467 2.704 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000873242010 642092375 /nfs/dbraw/zinc/09/23/75/642092375.db2.gz KLMKOIUDCNMTMX-DZGCQCFKSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000873249454 642095411 /nfs/dbraw/zinc/09/54/11/642095411.db2.gz ACRHNMAXUSQZDN-ATZCPNFKSA-N 2 0 256.752 2.867 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873249303 642095464 /nfs/dbraw/zinc/09/54/64/642095464.db2.gz KNKHEGXNTIIDBU-CLROSIBMSA-N 2 0 292.398 2.620 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000873249857 642096343 /nfs/dbraw/zinc/09/63/43/642096343.db2.gz MXGYXPGICXVUQB-SUZMYJTESA-N 2 0 299.340 2.805 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250501 642096362 /nfs/dbraw/zinc/09/63/62/642096362.db2.gz PMYBPFWWRMFWLB-QKCSRTOESA-N 2 0 286.341 2.963 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000873250771 642096594 /nfs/dbraw/zinc/09/65/94/642096594.db2.gz ISSUMKCWGTVPML-ISTVAULSSA-N 2 0 295.224 2.763 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000873249856 642097012 /nfs/dbraw/zinc/09/70/12/642097012.db2.gz MXGYXPGICXVUQB-NDMJEZRESA-N 2 0 299.340 2.805 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873251389 642097751 /nfs/dbraw/zinc/09/77/51/642097751.db2.gz LXXRDCBESLGJCV-XBVQOTNRSA-N 2 0 258.409 2.958 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1noc2ccc(F)cc21 ZINC000873251243 642097953 /nfs/dbraw/zinc/09/79/53/642097953.db2.gz UWYGODYFGYMWDY-SNVBAGLBSA-N 2 0 265.332 2.574 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252501 642099042 /nfs/dbraw/zinc/09/90/42/642099042.db2.gz ORNYPPMOQDXDDO-WISYIIOYSA-N 2 0 264.335 2.847 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2ccccc2n1 ZINC000873253702 642099708 /nfs/dbraw/zinc/09/97/08/642099708.db2.gz COIJMDBAUWLYOJ-BZPMIXESSA-N 2 0 255.365 2.623 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000873254170 642099759 /nfs/dbraw/zinc/09/97/59/642099759.db2.gz MHPGTYZMIVSTEP-LJWDBELGSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000873254232 642099823 /nfs/dbraw/zinc/09/98/23/642099823.db2.gz OAJVZCFQROCKSO-JBLDHEPKSA-N 2 0 261.394 2.684 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000873254519 642100309 /nfs/dbraw/zinc/10/03/09/642100309.db2.gz VSXILWUGHCNIJV-ISTVAULSSA-N 2 0 250.773 2.654 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc(C)c1F ZINC000873254627 642100808 /nfs/dbraw/zinc/10/08/08/642100808.db2.gz YPELQGFGGOMFRA-BZPMIXESSA-N 2 0 250.361 2.830 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255183 642100894 /nfs/dbraw/zinc/10/08/94/642100894.db2.gz CWFFALNBFPODNF-FPCVCCKLSA-N 2 0 273.424 2.743 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000873255421 642101141 /nfs/dbraw/zinc/10/11/41/642101141.db2.gz GJHUWWILDLARSH-QXEWZRGKSA-N 2 0 288.313 2.815 20 0 CFADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000873256423 642101914 /nfs/dbraw/zinc/10/19/14/642101914.db2.gz NOOAWDYHENIROJ-GARJFASQSA-N 2 0 298.814 2.745 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000873256502 642102658 /nfs/dbraw/zinc/10/26/58/642102658.db2.gz NHTZZNSJXIGGAH-ABHRYQDASA-N 2 0 292.423 2.523 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CCS2 ZINC000873256839 642102683 /nfs/dbraw/zinc/10/26/83/642102683.db2.gz PAKXVZUQGLNBKT-MJVIPROJSA-N 2 0 278.421 2.559 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000873257580 642102699 /nfs/dbraw/zinc/10/26/99/642102699.db2.gz UIIWHZXSCQJRJD-QAETUUGQSA-N 2 0 258.409 2.725 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873258917 642103288 /nfs/dbraw/zinc/10/32/88/642103288.db2.gz VWJJSXQIBDGUOM-YDHLFZDLSA-N 2 0 262.397 2.862 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000873258084 642103425 /nfs/dbraw/zinc/10/34/25/642103425.db2.gz MHPGTYZMIVSTEP-GAJTVXKRSA-N 2 0 295.224 2.763 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C(C)C)cc1 ZINC000873257640 642103675 /nfs/dbraw/zinc/10/36/75/642103675.db2.gz USFQDHJXPPMSQE-ULQDDVLXSA-N 2 0 260.425 2.889 20 0 CFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260863 642105187 /nfs/dbraw/zinc/10/51/87/642105187.db2.gz JAMFNCWCHGCGGQ-SBJFKYEJSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000873263316 642107228 /nfs/dbraw/zinc/10/72/28/642107228.db2.gz IBAGBTZNKKLOFS-TWHJKIGZSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000873264178 642107290 /nfs/dbraw/zinc/10/72/90/642107290.db2.gz OQSWPFHFTAFLKI-FGZZBPHYSA-N 2 0 250.430 2.931 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000873264741 642108206 /nfs/dbraw/zinc/10/82/06/642108206.db2.gz QVWSZGITFJOXMP-XFIYOXNOSA-N 2 0 280.456 2.699 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000873264734 642108235 /nfs/dbraw/zinc/10/82/35/642108235.db2.gz QUGSRNWETDGKMY-SYEHKZFSSA-N 2 0 265.426 2.633 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1N(C)C ZINC000873265164 642108261 /nfs/dbraw/zinc/10/82/61/642108261.db2.gz USEQDKAMEYBLIJ-LVQVYYBASA-N 2 0 287.451 2.934 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000873264733 642108352 /nfs/dbraw/zinc/10/83/52/642108352.db2.gz QUGSRNWETDGKMY-FOUMNBMASA-N 2 0 265.426 2.633 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cn1 ZINC000873267914 642110011 /nfs/dbraw/zinc/11/00/11/642110011.db2.gz MDSJCDUSVVWXMR-CHWSQXEVSA-N 2 0 264.417 2.503 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC[NH2+]CC1 ZINC000873267892 642110317 /nfs/dbraw/zinc/11/03/17/642110317.db2.gz LSRZRHIBHZCRLV-BDJLRTHQSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267467 642110496 /nfs/dbraw/zinc/11/04/96/642110496.db2.gz DDXYZUOGUCRNDX-AHIWAGSCSA-N 2 0 258.409 2.898 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873266721 642110527 /nfs/dbraw/zinc/11/05/27/642110527.db2.gz POUAQTUEXWCOLR-OKYOBFRVSA-N 2 0 299.462 2.683 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268323 642110833 /nfs/dbraw/zinc/11/08/33/642110833.db2.gz UWTYTNVGNRKSSJ-DYVFJYSZSA-N 2 0 258.409 2.960 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873268413 642111038 /nfs/dbraw/zinc/11/10/38/642111038.db2.gz CCZIMNDNRHGDFH-MNOVXSKESA-N 2 0 296.436 2.573 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873269151 642111888 /nfs/dbraw/zinc/11/18/88/642111888.db2.gz MVKYTKUSHNRVRZ-CHWSQXEVSA-N 2 0 289.423 2.684 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCNc2ccccc21)C1CC[NH2+]CC1 ZINC000873269764 642112002 /nfs/dbraw/zinc/11/20/02/642112002.db2.gz SZSVETZMWMMUMS-CXAGYDPISA-N 2 0 273.424 2.911 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000873271683 642112853 /nfs/dbraw/zinc/11/28/53/642112853.db2.gz JKTFBCTYJROSLZ-WDEREUQCSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271990 642113464 /nfs/dbraw/zinc/11/34/64/642113464.db2.gz NIBVPWVBEWXVCE-CABCVRRESA-N 2 0 275.440 2.771 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272517 642113699 /nfs/dbraw/zinc/11/36/99/642113699.db2.gz UKCATONWJNEHMP-AEGPPILISA-N 2 0 268.445 2.558 20 0 CFADRP CCC1(CC)[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C[C@@H]1OC ZINC000873272522 642113775 /nfs/dbraw/zinc/11/37/75/642113775.db2.gz UKCATONWJNEHMP-QEJZJMRPSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000873274466 642114548 /nfs/dbraw/zinc/11/45/48/642114548.db2.gz VFPKRQUVCPHWCJ-QGTPRVQTSA-N 2 0 287.451 2.913 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(C(F)(F)F)s1 ZINC000873283168 642118390 /nfs/dbraw/zinc/11/83/90/642118390.db2.gz ZSIZGEPTVBGHSY-BDAKNGLRSA-N 2 0 264.316 2.736 20 0 CFADRP CCC1CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873288885 642121936 /nfs/dbraw/zinc/12/19/36/642121936.db2.gz BXPWDMSJPZMDMV-GPANFISMSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288883 642122380 /nfs/dbraw/zinc/12/23/80/642122380.db2.gz BXARGZQGIYWDPP-HZPDHXFCSA-N 2 0 288.435 2.804 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290984 642122674 /nfs/dbraw/zinc/12/26/74/642122674.db2.gz HOTSVLVVIBHKHT-OAGGEKHMSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290667 642123218 /nfs/dbraw/zinc/12/32/18/642123218.db2.gz FPISVDGEZAMDCW-OAGGEKHMSA-N 2 0 280.456 2.704 20 0 CFADRP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290368 642123235 /nfs/dbraw/zinc/12/32/35/642123235.db2.gz CYJFYMRGMODUHI-CABCVRRESA-N 2 0 280.456 2.704 20 0 CFADRP CCCC[C@@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291776 642123996 /nfs/dbraw/zinc/12/39/96/642123996.db2.gz XSKYDVOUFZMCTA-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP CCCCC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291865 642124136 /nfs/dbraw/zinc/12/41/36/642124136.db2.gz YPRFXZXEOINGDW-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291157 642124218 /nfs/dbraw/zinc/12/42/18/642124218.db2.gz UVIFXEHAAFQHDK-NVXWUHKLSA-N 2 0 288.435 2.804 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291497 642124236 /nfs/dbraw/zinc/12/42/36/642124236.db2.gz WLDYYQCRRPOLEU-UONOGXRCSA-N 2 0 294.464 2.948 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294093 642125711 /nfs/dbraw/zinc/12/57/11/642125711.db2.gz SOUBANFUMXNGLT-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296380 642127915 /nfs/dbraw/zinc/12/79/15/642127915.db2.gz YQWSQSSGCSDYJA-JEYLPNPQSA-N 2 0 261.413 2.737 20 0 CFADRP c1ccc(NC2CC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000873296252 642128011 /nfs/dbraw/zinc/12/80/11/642128011.db2.gz WBBRCTCZTZFHSS-CGIIEPBMSA-N 2 0 285.435 2.607 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000020425798 642381683 /nfs/dbraw/zinc/38/16/83/642381683.db2.gz OLLOYARCAYCWNM-UHFFFAOYSA-N 2 0 295.858 2.981 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000088204439 650809349 /nfs/dbraw/zinc/80/93/49/650809349.db2.gz SMRAHRNYMXDVTE-MAUKXSAKSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000876945363 643075011 /nfs/dbraw/zinc/07/50/11/643075011.db2.gz BCFOZCDMCSAALW-WDEREUQCSA-N 2 0 265.228 2.502 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000876964905 643084679 /nfs/dbraw/zinc/08/46/79/643084679.db2.gz VFNYIJVNQNUTNT-CYBMUJFWSA-N 2 0 296.480 2.942 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876988901 643095398 /nfs/dbraw/zinc/09/53/98/643095398.db2.gz PSKFILOJNWYFIN-MNOVXSKESA-N 2 0 265.228 2.502 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000876989020 643095574 /nfs/dbraw/zinc/09/55/74/643095574.db2.gz RHSNNPUZSOFBKZ-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP C(C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C[C@@H]1CCO1 ZINC000877077185 643138306 /nfs/dbraw/zinc/13/83/06/643138306.db2.gz YTFDJUIXSZURMA-OFLPRAFFSA-N 2 0 280.456 2.942 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000877090929 643147913 /nfs/dbraw/zinc/14/79/13/643147913.db2.gz YGZRJIYEURJBEW-SJORKVTESA-N 2 0 294.483 2.924 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877181975 643192623 /nfs/dbraw/zinc/19/26/23/643192623.db2.gz IBAKWVCPMFPOTC-UHFFFAOYSA-N 2 0 281.831 2.744 20 0 CFADRP Cc1cc(C)cc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000877545951 643347213 /nfs/dbraw/zinc/34/72/13/643347213.db2.gz MYMZGBILVBMBEB-GOSISDBHSA-N 2 0 272.436 2.874 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877616590 643402360 /nfs/dbraw/zinc/40/23/60/643402360.db2.gz FUVGKXQNKZHFOZ-PHIMTYICSA-N 2 0 293.798 2.911 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CSC3)CC2)C1 ZINC000877634974 643418990 /nfs/dbraw/zinc/41/89/90/643418990.db2.gz XFUSUZAXAVMCDL-DOMZBBRYSA-N 2 0 268.470 2.735 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000877644654 643428621 /nfs/dbraw/zinc/42/86/21/643428621.db2.gz YVDPOOLYZSHDJD-STQMWFEESA-N 2 0 291.266 2.892 20 0 CFADRP COCC[N@@H+](Cc1ccsc1C)CC1CC[NH+](C)CC1 ZINC000877664092 643441290 /nfs/dbraw/zinc/44/12/90/643441290.db2.gz GYUKYULSHAUAQZ-UHFFFAOYSA-N 2 0 296.480 2.847 20 0 CFADRP COCC[N@@H+](Cc1csc(C)c1)CC1CC[NH+](C)CC1 ZINC000877664750 643441889 /nfs/dbraw/zinc/44/18/89/643441889.db2.gz VLMFJSRYFZPXJU-UHFFFAOYSA-N 2 0 296.480 2.847 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cncc(F)c1)CC2 ZINC000877684115 643453134 /nfs/dbraw/zinc/45/31/34/643453134.db2.gz GWJUTFMCUBGOPG-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684326 643453711 /nfs/dbraw/zinc/45/37/11/643453711.db2.gz MGZYYPGAXFCSGB-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000877685325 643454416 /nfs/dbraw/zinc/45/44/16/643454416.db2.gz UYNFUTTXJUTRIR-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000877697005 643459181 /nfs/dbraw/zinc/45/91/81/643459181.db2.gz FBLZBKNJBDGIOS-UHFFFAOYSA-N 2 0 290.451 2.779 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711445 643477021 /nfs/dbraw/zinc/47/70/21/643477021.db2.gz JMHYPPKQGRRSRL-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CC1(F)F ZINC000877711387 643477409 /nfs/dbraw/zinc/47/74/09/643477409.db2.gz GOPFDKIYBIORBX-QCXCNERSSA-N 2 0 260.372 2.883 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000877737892 643498572 /nfs/dbraw/zinc/49/85/72/643498572.db2.gz ITDPPPSZSKWFFG-CRAIPNDOSA-N 2 0 281.403 2.761 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738534 643500868 /nfs/dbraw/zinc/50/08/68/643500868.db2.gz CDGRCLFIZIOWOI-DOTOQJQBSA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@H]21 ZINC000877744055 643520387 /nfs/dbraw/zinc/52/03/87/643520387.db2.gz OJFOWBSSFAVZPQ-GOEBONIOSA-N 2 0 269.392 2.694 20 0 CFADRP CC(C)C[N@H+](CC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000877767392 643546564 /nfs/dbraw/zinc/54/65/64/643546564.db2.gz GYYWZDXPTASHTK-UHFFFAOYSA-N 2 0 282.472 2.713 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1C[C@H]1C)CC1CC[NH+](C)CC1 ZINC000877767746 643546574 /nfs/dbraw/zinc/54/65/74/643546574.db2.gz VWLUDWPJDGQJDU-ZBFHGGJFSA-N 2 0 252.446 2.942 20 0 CFADRP Cc1ncc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n1C ZINC000877767368 643546729 /nfs/dbraw/zinc/54/67/29/643546729.db2.gz GJSLBJJVKYPISS-UHFFFAOYSA-N 2 0 292.471 2.528 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000877969783 643671115 /nfs/dbraw/zinc/67/11/15/643671115.db2.gz HPQVXTQMZYGSTE-OAHLLOKOSA-N 2 0 282.472 2.854 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000877988938 643682197 /nfs/dbraw/zinc/68/21/97/643682197.db2.gz NEQFRTSTBVLURK-IKGGRYGDSA-N 2 0 280.456 2.608 20 0 CFADRP C=C/C=C\CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878016015 643693538 /nfs/dbraw/zinc/69/35/38/643693538.db2.gz NMOIQFKDCTWFDP-ARJAWSKDSA-N 2 0 278.440 2.553 20 0 CFADRP CC(C)[C@@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000878018049 643694535 /nfs/dbraw/zinc/69/45/35/643694535.db2.gz QQHKJGGZIDOIRA-ROUUACIJSA-N 2 0 296.499 2.837 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878105290 643737806 /nfs/dbraw/zinc/73/78/06/643737806.db2.gz ZOWXTLPMJCCSTI-JQHSSLGASA-N 2 0 288.435 2.790 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121438 643747094 /nfs/dbraw/zinc/74/70/94/643747094.db2.gz QFSFXZYGFLRRPG-IAGOWNOFSA-N 2 0 292.467 2.896 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878134069 643754087 /nfs/dbraw/zinc/75/40/87/643754087.db2.gz OQJLWRLNBJWKLJ-IRXDYDNUSA-N 2 0 292.467 2.896 20 0 CFADRP C=C/C=C/CC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000878159528 643768163 /nfs/dbraw/zinc/76/81/63/643768163.db2.gz YOLYJCSAVVZLBI-KXPUMZMLSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)O2)C[C@H]1C ZINC000878162643 643769444 /nfs/dbraw/zinc/76/94/44/643769444.db2.gz HTGMDKLHZMMTPN-OWCLPIDISA-N 2 0 280.456 2.893 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878164663 643770396 /nfs/dbraw/zinc/77/03/96/643770396.db2.gz MLGKGOVTJGSKEQ-BHYGNILZSA-N 2 0 280.456 2.750 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878167694 643774301 /nfs/dbraw/zinc/77/43/01/643774301.db2.gz XXNMGSHBWSVINA-CABCVRRESA-N 2 0 282.472 2.854 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000878197507 643789872 /nfs/dbraw/zinc/78/98/72/643789872.db2.gz NKZUTRYAZSSCQZ-PMPSAXMXSA-N 2 0 280.456 2.750 20 0 CFADRP CN1CC[NH+](CC2(C)CC[NH+](CCCC3CC3)CC2)CC1 ZINC000878428094 643891844 /nfs/dbraw/zinc/89/18/44/643891844.db2.gz QJBLNZAZQYODFB-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP C[N@H+](C[C@H]1CCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608445 643956237 /nfs/dbraw/zinc/95/62/37/643956237.db2.gz RSKPOYRCEILICI-VFSICIBPSA-N 2 0 278.440 2.645 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878652988 643976101 /nfs/dbraw/zinc/97/61/01/643976101.db2.gz WKWABETWEHLDCE-CRAIPNDOSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878662571 643982004 /nfs/dbraw/zinc/98/20/04/643982004.db2.gz QRGFYHHSWYJJAT-HOTGVXAUSA-N 2 0 278.440 2.506 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CC3(CCC3)C1)C2 ZINC000878663362 643982406 /nfs/dbraw/zinc/98/24/06/643982406.db2.gz YMQHSWFQISVLFW-KRWDZBQOSA-N 2 0 262.441 2.984 20 0 CFADRP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)nc1Cl ZINC000878862572 644053903 /nfs/dbraw/zinc/05/39/03/644053903.db2.gz IUWQUCKCNPREBN-UHFFFAOYSA-N 2 0 293.842 2.961 20 0 CFADRP CC[N@H+](CC[C@H](O)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058087 644127794 /nfs/dbraw/zinc/12/77/94/644127794.db2.gz IHOUATWSXJVUBB-SFHVURJKSA-N 2 0 292.467 2.977 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000879210250 644177381 /nfs/dbraw/zinc/17/73/81/644177381.db2.gz XNCFRADDTRHUSJ-IYBDPMFKSA-N 2 0 280.456 2.752 20 0 CFADRP CSCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247370 644193366 /nfs/dbraw/zinc/19/33/66/644193366.db2.gz BNNRWFFBYXJLPC-UHFFFAOYSA-N 2 0 256.459 2.547 20 0 CFADRP C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545242 650902651 /nfs/dbraw/zinc/90/26/51/650902651.db2.gz LJSOGDDKCPDFLU-YPMHNXCESA-N 2 0 252.789 2.899 20 0 CFADRP CC(C)([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCCO1 ZINC000879405747 644257694 /nfs/dbraw/zinc/25/76/94/644257694.db2.gz HGALIQWTMSMCDZ-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879572673 644328066 /nfs/dbraw/zinc/32/80/66/644328066.db2.gz IWZIVPWOBKCXRS-MSOLQXFVSA-N 2 0 272.436 2.818 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572422 644328953 /nfs/dbraw/zinc/32/89/53/644328953.db2.gz HBPNOPDKKFBZTQ-FUHWJXTLSA-N 2 0 288.435 2.654 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572420 644329542 /nfs/dbraw/zinc/32/95/42/644329542.db2.gz HBPNOPDKKFBZTQ-AEFFLSMTSA-N 2 0 288.435 2.654 20 0 CFADRP C[C@@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000879594666 644342828 /nfs/dbraw/zinc/34/28/28/644342828.db2.gz QBNCJFACLWMLTL-MRXNPFEDSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)C[N@@H+](CC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879701792 644388247 /nfs/dbraw/zinc/38/82/47/644388247.db2.gz AORCKWSVLPDGFL-UHFFFAOYSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1CC[C@H](C)O1)CC1CC[NH+](C)CC1 ZINC000879703772 644389533 /nfs/dbraw/zinc/38/95/33/644389533.db2.gz WYBMTTMLNYCDOQ-RDJZCZTQSA-N 2 0 282.472 2.854 20 0 CFADRP COCCCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948314 644468851 /nfs/dbraw/zinc/46/88/51/644468851.db2.gz BLJQCEPKZINIIG-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP C[C@H]1C[N@H+](CC2CC=CC2)CCN1c1cc[nH+]cc1 ZINC000880259465 644617424 /nfs/dbraw/zinc/61/74/24/644617424.db2.gz UDQLNZKACGRLEK-AWEZNQCLSA-N 2 0 257.381 2.558 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249061171 650953314 /nfs/dbraw/zinc/95/33/14/650953314.db2.gz ZZSIKAZWYHGMNT-JKSUJKDBSA-N 2 0 266.429 2.781 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1F ZINC000130509394 645514258 /nfs/dbraw/zinc/51/42/58/645514258.db2.gz FWPDLODVCQEJIU-LZWOXQAQSA-N 2 0 262.372 2.693 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883034240 645574043 /nfs/dbraw/zinc/57/40/43/645574043.db2.gz ORSIFASSOSBYLI-FXUDXRNXSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131028076 645611153 /nfs/dbraw/zinc/61/11/53/645611153.db2.gz DXGZVPKQLOWEKC-ZDUSSCGKSA-N 2 0 258.365 2.864 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883196662 645656846 /nfs/dbraw/zinc/65/68/46/645656846.db2.gz UAXRQPSUDPCTQD-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883207281 645664669 /nfs/dbraw/zinc/66/46/69/645664669.db2.gz KBMVWXLSFVXWIO-GVDBMIGSSA-N 2 0 292.467 2.677 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)CO2)[C@H](C)C1 ZINC000883249381 645696302 /nfs/dbraw/zinc/69/63/02/645696302.db2.gz DOFOIBIJKJZLCE-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C)C[C@@]1(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883252374 645699225 /nfs/dbraw/zinc/69/92/25/645699225.db2.gz FOWXCHMGTBPNRI-INIZCTEOSA-N 2 0 270.380 2.793 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H](C)C1 ZINC000883254856 645701288 /nfs/dbraw/zinc/70/12/88/645701288.db2.gz DYBPXATUYCOVSM-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1(C)C ZINC000883357363 645763877 /nfs/dbraw/zinc/76/38/77/645763877.db2.gz JZLNYKPBHAYMMH-KBPBESRZSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000883417116 645810899 /nfs/dbraw/zinc/81/08/99/645810899.db2.gz NZRSXEBBUHBFNH-ZDUSSCGKSA-N 2 0 260.372 2.743 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883417645 645811032 /nfs/dbraw/zinc/81/10/32/645811032.db2.gz IJVJTSRJCUIAJH-XLNGHYISSA-N 2 0 274.408 2.576 20 0 CFADRP CN(C[C@H]1CC[C@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429565 645823682 /nfs/dbraw/zinc/82/36/82/645823682.db2.gz ZDABMASOIWKECC-HZPDHXFCSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CCC3)O1)CC[NH2+]CC2 ZINC000883433882 645827417 /nfs/dbraw/zinc/82/74/17/645827417.db2.gz AWAUGKKVDGNHKI-HUUCEWRRSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883438346 645831679 /nfs/dbraw/zinc/83/16/79/645831679.db2.gz QQBJSUIFBDCLNE-NRSFXHEJSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883438344 645832273 /nfs/dbraw/zinc/83/22/73/645832273.db2.gz QQBJSUIFBDCLNE-BGTYHANMSA-N 2 0 288.435 2.823 20 0 CFADRP CC1(C)CC[NH2+]CC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883439509 645832867 /nfs/dbraw/zinc/83/28/67/645832867.db2.gz SZPOCZUBRZJJDZ-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883441335 645834741 /nfs/dbraw/zinc/83/47/41/645834741.db2.gz LWQZTOOLMDFRJO-JONQDZQNSA-N 2 0 274.408 2.622 20 0 CFADRP c1csc([C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000883448479 645837234 /nfs/dbraw/zinc/83/72/34/645837234.db2.gz GLULUXJCFGYMPC-HNNXBMFYSA-N 2 0 299.443 2.778 20 0 CFADRP Fc1cc2c(cc1F)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000883461454 645843453 /nfs/dbraw/zinc/84/34/53/645843453.db2.gz VFHLKPBWGCWGEV-LBPRGKRZSA-N 2 0 280.362 2.713 20 0 CFADRP c1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCN21 ZINC000883461875 645844026 /nfs/dbraw/zinc/84/40/26/645844026.db2.gz FPQBMQGXENUFEX-SJLPKXTDSA-N 2 0 299.462 2.861 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000883459558 645844144 /nfs/dbraw/zinc/84/41/44/645844144.db2.gz AWBCWAVPDPMKLL-WBVHZDCISA-N 2 0 258.409 2.997 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1CCOCC[NH3+] ZINC000883462199 645845539 /nfs/dbraw/zinc/84/55/39/645845539.db2.gz LWBFBNAFZYMXFB-GDBMZVCRSA-N 2 0 276.424 2.618 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000884176353 646251773 /nfs/dbraw/zinc/25/17/73/646251773.db2.gz CXFHCGLYXORQCP-GJZGRUSLSA-N 2 0 299.503 2.623 20 0 CFADRP c1cc(N2CCC([NH2+]CCC3CCC3)CC2)cc[nH+]1 ZINC000133958234 646258155 /nfs/dbraw/zinc/25/81/55/646258155.db2.gz UMIOZMFQKHDTCG-UHFFFAOYSA-N 2 0 259.397 2.830 20 0 CFADRP Fc1cccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000885921148 646768937 /nfs/dbraw/zinc/76/89/37/646768937.db2.gz UCWMLGQFNZXTDM-TXTHVTMNSA-N 2 0 274.383 2.913 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885980358 646793479 /nfs/dbraw/zinc/79/34/79/646793479.db2.gz ZOKILGVMFARITD-DLBZAZTESA-N 2 0 280.456 2.749 20 0 CFADRP C[N@H+](CCSC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000886019494 646821999 /nfs/dbraw/zinc/82/19/99/646821999.db2.gz VYDXXPZYNZCMRR-SNVBAGLBSA-N 2 0 270.364 2.513 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOC3CCCCC3)CC[C@H]21 ZINC000886044406 646839683 /nfs/dbraw/zinc/83/96/83/646839683.db2.gz WHQMHPFLQCZYFE-NVXWUHKLSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000886057315 646847407 /nfs/dbraw/zinc/84/74/07/646847407.db2.gz LMIVHMCXMQSMMM-HWKANZROSA-N 2 0 260.356 2.690 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C3CC3)O2)[C@@H](C)C1 ZINC000886069836 646854123 /nfs/dbraw/zinc/85/41/23/646854123.db2.gz KWAPVHFADGNCNU-QSPRXWTASA-N 2 0 280.456 2.606 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000886093874 646864041 /nfs/dbraw/zinc/86/40/41/646864041.db2.gz IYFRIZGEYPFDIG-DOTOQJQBSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000886102708 646873251 /nfs/dbraw/zinc/87/32/51/646873251.db2.gz NSJGHAFVUWOGND-ZGRYLRDCSA-N 2 0 280.456 2.941 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000886143092 646893137 /nfs/dbraw/zinc/89/31/37/646893137.db2.gz SSTAWGNEYAEWFE-HOCLYGCPSA-N 2 0 273.380 2.772 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000886153238 646898644 /nfs/dbraw/zinc/89/86/44/646898644.db2.gz AMOIFZPRYQIOFX-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1coc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000886155371 646899382 /nfs/dbraw/zinc/89/93/82/646899382.db2.gz CCQZMNUNXFYLSB-UHFFFAOYSA-N 2 0 292.423 2.569 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CC[C@@H](C4CC4)O3)C2)CC1 ZINC000886185715 646912418 /nfs/dbraw/zinc/91/24/18/646912418.db2.gz FGLNTFGAYBUHNE-SJORKVTESA-N 2 0 292.467 2.752 20 0 CFADRP C[N@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886202795 646918247 /nfs/dbraw/zinc/91/82/47/646918247.db2.gz FASYFKRMGCVMMI-OZSLIKBDSA-N 2 0 278.440 2.501 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000886280437 646949694 /nfs/dbraw/zinc/94/96/94/646949694.db2.gz DXNWGARQTPQMHU-UTJXIGIESA-N 2 0 282.391 2.649 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC2(CCC2)C1 ZINC000886343280 646979177 /nfs/dbraw/zinc/97/91/77/646979177.db2.gz UBOFHCACJCQKKC-ZACQAIPSSA-N 2 0 292.467 2.942 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccnc2)CC1 ZINC000886487865 647016520 /nfs/dbraw/zinc/01/65/20/647016520.db2.gz YBTRWWBCYAKRFP-UHFFFAOYSA-N 2 0 273.424 2.968 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000886500142 647020948 /nfs/dbraw/zinc/02/09/48/647020948.db2.gz HZBSPWYYPIPSTP-AQFXKWCLSA-N 2 0 280.456 2.942 20 0 CFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000886526324 647030169 /nfs/dbraw/zinc/03/01/69/647030169.db2.gz KFHGBGLWPNZXNL-JKSUJKDBSA-N 2 0 296.455 2.574 20 0 CFADRP C[C@@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCCO1 ZINC000886538968 647036562 /nfs/dbraw/zinc/03/65/62/647036562.db2.gz QTPHXGYOHQAZQO-JCYILVPMSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886543929 647041365 /nfs/dbraw/zinc/04/13/65/647041365.db2.gz YBTWXKYSYBSSQS-BPQIPLTHSA-N 2 0 290.451 2.771 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000886612710 647066680 /nfs/dbraw/zinc/06/66/80/647066680.db2.gz SGVOERNCKIWKCF-ADKAHSJRSA-N 2 0 294.483 2.924 20 0 CFADRP c1cnc2c(c1)CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000886615182 647069172 /nfs/dbraw/zinc/06/91/72/647069172.db2.gz ADBUABLDISMTQQ-INIZCTEOSA-N 2 0 273.424 2.925 20 0 CFADRP CCn1nccc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886640212 647083325 /nfs/dbraw/zinc/08/33/25/647083325.db2.gz UOAYSPCCZWOMMY-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](c2ncccn2)C1 ZINC000886678272 647106198 /nfs/dbraw/zinc/10/61/98/647106198.db2.gz AMGXRQYMIOPLEF-JKSUJKDBSA-N 2 0 288.439 2.530 20 0 CFADRP C[N@H+](Cc1cc(F)c(F)cc1F)C1CCC([NH3+])CC1 ZINC000220323259 647113137 /nfs/dbraw/zinc/11/31/37/647113137.db2.gz FFLSEBQPTYJZKM-UHFFFAOYSA-N 2 0 272.314 2.806 20 0 CFADRP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000886694484 647114796 /nfs/dbraw/zinc/11/47/96/647114796.db2.gz XCLPYNFFAHQVDV-QCPWZWHMSA-N 2 0 262.441 2.743 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000886694485 647115320 /nfs/dbraw/zinc/11/53/20/647115320.db2.gz XCLPYNFFAHQVDV-QIJZBDPFSA-N 2 0 262.441 2.743 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCn2ccnc2C)CC1 ZINC000886714540 647119439 /nfs/dbraw/zinc/11/94/39/647119439.db2.gz NLDGOVJIWNBEDS-UHFFFAOYSA-N 2 0 290.455 2.532 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H](CC(C)C)OC)CC1 ZINC000886717456 647120767 /nfs/dbraw/zinc/12/07/67/647120767.db2.gz AHWJBDPSZPJZBJ-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000886828181 647154918 /nfs/dbraw/zinc/15/49/18/647154918.db2.gz YUFCEBXHQDLJSR-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886841661 647160574 /nfs/dbraw/zinc/16/05/74/647160574.db2.gz ROQVOMKTYCVEFG-UXLLHSPISA-N 2 0 280.456 2.641 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCSC(F)(F)F)C1 ZINC000886841781 647160769 /nfs/dbraw/zinc/16/07/69/647160769.db2.gz VJOKTIGVJDOOQY-LLVKDONJSA-N 2 0 284.391 2.936 20 0 CFADRP c1csc(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886869514 647164197 /nfs/dbraw/zinc/16/41/97/647164197.db2.gz AQNMYLPKSQXNSM-HNNXBMFYSA-N 2 0 264.438 2.756 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886874049 647165018 /nfs/dbraw/zinc/16/50/18/647165018.db2.gz FJLHWDOGPBWNQO-KRWDZBQOSA-N 2 0 274.408 2.661 20 0 CFADRP C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)C1SCCS1 ZINC000886874630 647165763 /nfs/dbraw/zinc/16/57/63/647165763.db2.gz RYMBUKVVYDCANE-CQSZACIVSA-N 2 0 286.510 2.648 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)OC1 ZINC000886874720 647166034 /nfs/dbraw/zinc/16/60/34/647166034.db2.gz VDCYLPFGEHUTFC-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132192 647222833 /nfs/dbraw/zinc/22/28/33/647222833.db2.gz ABJPBVTYYKTITM-GJZGRUSLSA-N 2 0 282.391 2.748 20 0 CFADRP Cc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c(C)n1 ZINC000887134478 647223753 /nfs/dbraw/zinc/22/37/53/647223753.db2.gz KHIXNTWRDACJLG-OAHLLOKOSA-N 2 0 296.418 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000222930575 647326219 /nfs/dbraw/zinc/32/62/19/647326219.db2.gz XUBHLHZFGSMKRK-MVWJERBFSA-N 2 0 254.324 2.885 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222975257 647334084 /nfs/dbraw/zinc/33/40/84/647334084.db2.gz IAZRBPPIESDGKG-RRFJBIMHSA-N 2 0 262.397 2.622 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000300674370 647347535 /nfs/dbraw/zinc/34/75/35/647347535.db2.gz QTSUHFNGBBOMCH-XPABHHOTSA-N 2 0 268.470 2.781 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(F)cc1 ZINC000925497382 647843008 /nfs/dbraw/zinc/84/30/08/647843008.db2.gz WGVUPQBAFFOBSU-IZXHCYBQSA-N 2 0 274.383 2.515 20 0 CFADRP CCN1CCC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925494852 647846003 /nfs/dbraw/zinc/84/60/03/647846003.db2.gz PGNAFBSWXLVPPB-IRXDYDNUSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000925495249 647853331 /nfs/dbraw/zinc/85/33/31/647853331.db2.gz MNFHXLJSQALYMI-PBHICJAKSA-N 2 0 275.440 2.539 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925496093 647870014 /nfs/dbraw/zinc/87/00/14/647870014.db2.gz XFNBCQMQFQGROR-UONOGXRCSA-N 2 0 262.397 2.691 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925496800 647886621 /nfs/dbraw/zinc/88/66/21/647886621.db2.gz WILFRTLEZBPMET-IRXDYDNUSA-N 2 0 285.435 2.515 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1nonc1C ZINC000924527595 647987058 /nfs/dbraw/zinc/98/70/58/647987058.db2.gz KIUXAISXVHQVPX-VXGBXAGGSA-N 2 0 268.405 2.539 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C1(Br)CC1 ZINC000924529516 647988229 /nfs/dbraw/zinc/98/82/29/647988229.db2.gz VKTJLKDQLASVJF-NSHDSACASA-N 2 0 277.250 2.624 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]C1CCN(OC)CC1)[NH+]1CCCC1 ZINC000924630926 648013667 /nfs/dbraw/zinc/01/36/67/648013667.db2.gz JUKAVQLWUFDRQU-QGZVFWFLSA-N 2 0 297.487 2.502 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)on1 ZINC000924684763 648026397 /nfs/dbraw/zinc/02/63/97/648026397.db2.gz FSOWWYAOGCEBOK-KBPBESRZSA-N 2 0 295.427 2.988 20 0 CFADRP CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924752173 648041737 /nfs/dbraw/zinc/04/17/37/648041737.db2.gz FKXYTJRZTWBOKU-PBHICJAKSA-N 2 0 278.440 2.806 20 0 CFADRP COCCCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924870335 648063744 /nfs/dbraw/zinc/06/37/44/648063744.db2.gz KTNGWZQIEJLMBI-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000924953778 648077500 /nfs/dbraw/zinc/07/75/00/648077500.db2.gz DCNBTOOFNUGBEK-QGZVFWFLSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+](CC)C[C@@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000924954627 648078534 /nfs/dbraw/zinc/07/85/34/648078534.db2.gz KDYNDTNLYPWXKT-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000924959303 648079604 /nfs/dbraw/zinc/07/96/04/648079604.db2.gz JXOJCWNPZKSAAL-IKGGRYGDSA-N 2 0 282.472 2.758 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000924956433 648080198 /nfs/dbraw/zinc/08/01/98/648080198.db2.gz WMBFZEVUISYXKM-SFHVURJKSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925046311 648094504 /nfs/dbraw/zinc/09/45/04/648094504.db2.gz PIRDHAIGSBHDOI-GRDNDAEWSA-N 2 0 278.440 2.806 20 0 CFADRP CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925120903 648110406 /nfs/dbraw/zinc/11/04/06/648110406.db2.gz LNFXJRPHGXMOGY-BBRMVZONSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000925137133 648115041 /nfs/dbraw/zinc/11/50/41/648115041.db2.gz SKIVVEMHGGEKLD-HOSILWTGSA-N 2 0 294.464 2.756 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1C ZINC000925207093 648131198 /nfs/dbraw/zinc/13/11/98/648131198.db2.gz ODCBWMIXFHRBLA-JKIFEVAISA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000925218911 648134386 /nfs/dbraw/zinc/13/43/86/648134386.db2.gz ADHUVIBIPRUFCP-ROUUACIJSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccnnc1 ZINC000925229585 648137662 /nfs/dbraw/zinc/13/76/62/648137662.db2.gz OCXUMRYAJMUJJZ-OOHWJJMZSA-N 2 0 288.439 2.924 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC2(C1)CCCC2 ZINC000925241280 648139446 /nfs/dbraw/zinc/13/94/46/648139446.db2.gz PFSJVEGGWADWHX-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCc2cscn2)CC1 ZINC000925287733 648151640 /nfs/dbraw/zinc/15/16/40/648151640.db2.gz ZVHNDPLOTCSXHM-UHFFFAOYSA-N 2 0 281.469 2.786 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925306999 648153283 /nfs/dbraw/zinc/15/32/83/648153283.db2.gz JYQZNFZDTLLXSO-CHWSQXEVSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000925473190 648178155 /nfs/dbraw/zinc/17/81/55/648178155.db2.gz KRCLEBKJSSWGDX-KBXCAEBGSA-N 2 0 287.451 2.539 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925475432 648178379 /nfs/dbraw/zinc/17/83/79/648178379.db2.gz CWBAXNRXPWPJPZ-BRWVUGGUSA-N 2 0 282.472 2.541 20 0 CFADRP C[N@H+](CCN[C@@H]1CC[NH2+]C12CCCC2)C1CCCCC1 ZINC000925480925 648180134 /nfs/dbraw/zinc/18/01/34/648180134.db2.gz LUPRSUZFYJJEOO-MRXNPFEDSA-N 2 0 279.472 2.515 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000925489090 648182313 /nfs/dbraw/zinc/18/23/13/648182313.db2.gz NFOCFQDOBGCDKM-HUUCEWRRSA-N 2 0 264.388 2.864 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]C3(C)C)c21 ZINC000925494790 648182916 /nfs/dbraw/zinc/18/29/16/648182916.db2.gz VRNHGBRWWSGRSK-OAHLLOKOSA-N 2 0 271.408 2.749 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925495208 648183099 /nfs/dbraw/zinc/18/30/99/648183099.db2.gz PZUAEBQQQNGKIJ-IMJJTQAJSA-N 2 0 274.408 2.622 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925496326 648183345 /nfs/dbraw/zinc/18/33/45/648183345.db2.gz QJQYFXVOQJTGDU-HYVNUMGLSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCCN(c3ccccc3)C1)[NH2+]2 ZINC000925498569 648184419 /nfs/dbraw/zinc/18/44/19/648184419.db2.gz QTBSPIVRHRKPAP-WHEVEAIOSA-N 2 0 299.462 2.774 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000925498916 648185476 /nfs/dbraw/zinc/18/54/76/648185476.db2.gz TUZJRAKVXJVWTJ-UIEBLEIFSA-N 2 0 299.462 2.761 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925501472 648186464 /nfs/dbraw/zinc/18/64/64/648186464.db2.gz BXJRXFMVONGPCE-XHSDSOJGSA-N 2 0 282.472 2.541 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925501469 648186769 /nfs/dbraw/zinc/18/67/69/648186769.db2.gz BXJRXFMVONGPCE-JYJNAYRXSA-N 2 0 282.472 2.541 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000925505879 648188568 /nfs/dbraw/zinc/18/85/68/648188568.db2.gz PAFHSLPOMGTOKE-QZTJIDSGSA-N 2 0 284.403 2.790 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505041 648188815 /nfs/dbraw/zinc/18/88/15/648188815.db2.gz PJSVELUWFUGUAT-MCIONIFRSA-N 2 0 268.470 2.925 20 0 CFADRP c1cn(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc12 ZINC000925507740 648189881 /nfs/dbraw/zinc/18/98/81/648189881.db2.gz XEFJPJCEHUCDAM-KRWDZBQOSA-N 2 0 283.419 2.906 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C23CCCC3)CCCCC1 ZINC000925509367 648190374 /nfs/dbraw/zinc/19/03/74/648190374.db2.gz MJOWOFRNVFWQBN-OAHLLOKOSA-N 2 0 279.472 2.515 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)COCc1ccccc1 ZINC000925508851 648190602 /nfs/dbraw/zinc/19/06/02/648190602.db2.gz SYIFHSNBVUYRIE-ZBFHGGJFSA-N 2 0 276.424 2.569 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C12CCC2 ZINC000925508808 648190700 /nfs/dbraw/zinc/19/07/00/648190700.db2.gz JRAYIAMBDGRGEB-ZNMIVQPWSA-N 2 0 260.356 2.673 20 0 CFADRP C[C@@H]([NH3+])[C@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925511497 648191554 /nfs/dbraw/zinc/19/15/54/648191554.db2.gz NXMXFVDTZUVSKD-NUJGCVRESA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)[NH+](CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)C(C)C ZINC000925509961 648191732 /nfs/dbraw/zinc/19/17/32/648191732.db2.gz QRMCUFTZGUCSAE-ROUUACIJSA-N 2 0 295.515 2.863 20 0 CFADRP C[C@H]([NH3+])[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925512515 648192522 /nfs/dbraw/zinc/19/25/22/648192522.db2.gz FGAOJTXQYJWAHJ-BQFCYCMXSA-N 2 0 289.467 2.929 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2F)C12CCC2 ZINC000925513586 648192526 /nfs/dbraw/zinc/19/25/26/648192526.db2.gz KHTUXGPPIAZFSY-HUUCEWRRSA-N 2 0 294.439 2.918 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925514641 648193986 /nfs/dbraw/zinc/19/39/86/648193986.db2.gz NWCZWOGDGDKEOA-ZWKOTPCHSA-N 2 0 288.435 2.953 20 0 CFADRP c1ccc([C@H](C[NH+]2CCCC2)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925521717 648197705 /nfs/dbraw/zinc/19/77/05/648197705.db2.gz ZWOBHLFVDABTHZ-ZWKOTPCHSA-N 2 0 299.462 2.698 20 0 CFADRP c1ccc(CCCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925524545 648199689 /nfs/dbraw/zinc/19/96/89/648199689.db2.gz VCFUITRWVKMFMW-IGKNDFSCSA-N 2 0 270.420 2.595 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C(C)(C)C ZINC000925525942 648200220 /nfs/dbraw/zinc/20/02/20/648200220.db2.gz GPYSOEOSTREBNC-ARFHVFGLSA-N 2 0 282.472 2.805 20 0 CFADRP CCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925526661 648200248 /nfs/dbraw/zinc/20/02/48/648200248.db2.gz JPMNHUGQDLSZTL-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925526664 648200726 /nfs/dbraw/zinc/20/07/26/648200726.db2.gz JPMNHUGQDLSZTL-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1cccc2oc(CCN[C@H]3CC[NH2+]C34CCC4)nc21 ZINC000925528441 648201297 /nfs/dbraw/zinc/20/12/97/648201297.db2.gz UEXGSEYYJUHEBL-AWEZNQCLSA-N 2 0 285.391 2.553 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925529099 648201651 /nfs/dbraw/zinc/20/16/51/648201651.db2.gz YUOBIEVOKKHWDT-RWMBFGLXSA-N 2 0 256.434 2.543 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ccc(F)cc2F)C1 ZINC000925531999 648203431 /nfs/dbraw/zinc/20/34/31/648203431.db2.gz UEHVPXDPHXDXOV-STQMWFEESA-N 2 0 298.377 2.839 20 0 CFADRP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+][C@@H]2CCCSC2)C1 ZINC000925531680 648203569 /nfs/dbraw/zinc/20/35/69/648203569.db2.gz SGRFCITUYGMLPR-QLFBSQMISA-N 2 0 268.470 2.640 20 0 CFADRP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925538845 648207080 /nfs/dbraw/zinc/20/70/80/648207080.db2.gz UFJSUZOMPZWYKY-HUUCEWRRSA-N 2 0 275.440 2.618 20 0 CFADRP COC1CCC(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925543479 648209383 /nfs/dbraw/zinc/20/93/83/648209383.db2.gz UGWPQNCFBLTCIQ-KXIUCKCTSA-N 2 0 294.483 2.950 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)c[nH]c2c1 ZINC000925544917 648210110 /nfs/dbraw/zinc/21/01/10/648210110.db2.gz BNNQHJDYSFEZDV-IRXDYDNUSA-N 2 0 283.419 2.878 20 0 CFADRP c1[nH]c2ccccc2c1CCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925557840 648215654 /nfs/dbraw/zinc/21/56/54/648215654.db2.gz QUEWHHOTGOEQKR-LVGQOLGVSA-N 2 0 295.430 2.687 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cs1 ZINC000925563822 648218671 /nfs/dbraw/zinc/21/86/71/648218671.db2.gz FNNJIOAPHORXFK-STQMWFEESA-N 2 0 279.453 2.669 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565619 648219297 /nfs/dbraw/zinc/21/92/97/648219297.db2.gz VJYRVXOBYCXUAQ-AAEUAGOBSA-N 2 0 281.469 2.744 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCCC1 ZINC000925567480 648220777 /nfs/dbraw/zinc/22/07/77/648220777.db2.gz KOJSORUSJSPBKZ-HOTGVXAUSA-N 2 0 250.430 2.935 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCCC1 ZINC000925567482 648220929 /nfs/dbraw/zinc/22/09/29/648220929.db2.gz KOJSORUSJSPBKZ-HZPDHXFCSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cc3ccccc3o2)C12CCC2 ZINC000925579417 648225616 /nfs/dbraw/zinc/22/56/16/648225616.db2.gz FMJOZUMISUCDJE-HOTGVXAUSA-N 2 0 270.376 2.835 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925581089 648226493 /nfs/dbraw/zinc/22/64/93/648226493.db2.gz WEHOVPOHWJWZQZ-HUUCEWRRSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C12CCC2 ZINC000925584837 648227056 /nfs/dbraw/zinc/22/70/56/648227056.db2.gz DRYSPOMOLGVMQQ-RBSFLKMASA-N 2 0 260.356 2.673 20 0 CFADRP c1ccc(CC2([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CCC2)cc1 ZINC000925596811 648233396 /nfs/dbraw/zinc/23/33/96/648233396.db2.gz TWMBOMPACYJYAS-NNPSNHGLSA-N 2 0 282.431 2.738 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2cccc(F)c2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925598253 648233922 /nfs/dbraw/zinc/23/39/22/648233922.db2.gz QYFOIHMNWOUWIJ-KCXAZCMYSA-N 2 0 294.389 2.874 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[NH2+]C3(C)C)CC2)CC1 ZINC000925605864 648236610 /nfs/dbraw/zinc/23/66/10/648236610.db2.gz GLIIVHMZKKANBS-OFLPRAFFSA-N 2 0 293.499 2.760 20 0 CFADRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925607899 648237858 /nfs/dbraw/zinc/23/78/58/648237858.db2.gz XVSDTWQOISXZNP-MRXNPFEDSA-N 2 0 285.391 2.660 20 0 CFADRP C[C@@H]1NCCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000925610165 648239160 /nfs/dbraw/zinc/23/91/60/648239160.db2.gz ZEMGHEKSOCEILW-DLBZAZTESA-N 2 0 281.488 2.763 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2(C3CC3)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925621929 648243851 /nfs/dbraw/zinc/24/38/51/648243851.db2.gz KFJGMXTWDTXAKJ-ILXRZTDVSA-N 2 0 262.441 2.933 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925624517 648244827 /nfs/dbraw/zinc/24/48/27/648244827.db2.gz YXDSQBUGZONIHL-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)o1 ZINC000925623842 648245198 /nfs/dbraw/zinc/24/51/98/648245198.db2.gz UBGWAZDECUPRHF-CQDKDKBSSA-N 2 0 262.397 2.769 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCCS2)C[C@@H]([NH3+])C1 ZINC000925633296 648252636 /nfs/dbraw/zinc/25/26/36/648252636.db2.gz DFZJYJJJFPNJIC-AGIUHOORSA-N 2 0 256.459 2.768 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925637444 648254577 /nfs/dbraw/zinc/25/45/77/648254577.db2.gz LFMYGNFFPSUNKG-RRFJBIMHSA-N 2 0 294.439 2.723 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925636522 648255304 /nfs/dbraw/zinc/25/53/04/648255304.db2.gz CKNIHYZRKGMBCU-KBUPBQIOSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925637134 648255318 /nfs/dbraw/zinc/25/53/18/648255318.db2.gz IGJKDWWFOVYFOB-DGADGQDISA-N 2 0 280.456 2.558 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925638272 648255592 /nfs/dbraw/zinc/25/55/92/648255592.db2.gz AGDWDERNXXRYHG-JKSUJKDBSA-N 2 0 282.472 2.807 20 0 CFADRP CC1(C)[C@H]([NH2+]C2Cc3ccccc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925638440 648256066 /nfs/dbraw/zinc/25/60/66/648256066.db2.gz BUEQLWOZLMXFFK-IXDOHACOSA-N 2 0 270.420 2.520 20 0 CFADRP Cc1oc2ccccc2c1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925639294 648256281 /nfs/dbraw/zinc/25/62/81/648256281.db2.gz KOEUSWIOBKSESE-LMCVGUAFSA-N 2 0 296.414 2.870 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925641831 648258142 /nfs/dbraw/zinc/25/81/42/648258142.db2.gz PBOIKVINLZNHMP-AAEZLKGMSA-N 2 0 292.467 2.558 20 0 CFADRP C[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000925643558 648258580 /nfs/dbraw/zinc/25/85/80/648258580.db2.gz WRANSTZEEUNCQN-SVGFKBNWSA-N 2 0 287.451 2.537 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCc2ccc(Cl)cc2F)C12CCC2 ZINC000925643978 648259597 /nfs/dbraw/zinc/25/95/97/648259597.db2.gz LHDZGVICLIAHFF-CHWSQXEVSA-N 2 0 268.763 2.839 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925648192 648260315 /nfs/dbraw/zinc/26/03/15/648260315.db2.gz QLZZMIWGIVJQEH-AHLTXXRQSA-N 2 0 293.480 2.921 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C12CCC2 ZINC000925652050 648263101 /nfs/dbraw/zinc/26/31/01/648263101.db2.gz BHLBLULMCYVSBP-TUUVXOQKSA-N 2 0 274.383 2.931 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000925655947 648265554 /nfs/dbraw/zinc/26/55/54/648265554.db2.gz MTRMHVGGACTMAU-VFPQWFPESA-N 2 0 258.356 2.527 20 0 CFADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)c1 ZINC000925658715 648266518 /nfs/dbraw/zinc/26/65/18/648266518.db2.gz ZCYBLGKKWSCAMO-BKXYKFRJSA-N 2 0 286.394 2.658 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)C12CCC2 ZINC000925663443 648268298 /nfs/dbraw/zinc/26/82/98/648268298.db2.gz SLINVXYJONFZJY-CVEARBPZSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H]1[C@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925668700 648270244 /nfs/dbraw/zinc/27/02/44/648270244.db2.gz JVUKMFGFWVZEPB-NXHRZFHOSA-N 2 0 299.462 2.524 20 0 CFADRP CN(C)c1cccnc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925669150 648272065 /nfs/dbraw/zinc/27/20/65/648272065.db2.gz PUMGACLZOVUGQJ-MRXNPFEDSA-N 2 0 298.434 2.717 20 0 CFADRP C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)CC[NH+]1CCCC1 ZINC000925676424 648275001 /nfs/dbraw/zinc/27/50/01/648275001.db2.gz JCJYKIFQLSGZSJ-INIZCTEOSA-N 3 0 279.472 2.517 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925676126 648275208 /nfs/dbraw/zinc/27/52/08/648275208.db2.gz YZLOJOXHPUPACE-NVXWUHKLSA-N 2 0 288.435 2.856 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925676647 648275300 /nfs/dbraw/zinc/27/53/00/648275300.db2.gz OMFGKADKBTXYKM-KBAYOESNSA-N 2 0 295.515 2.865 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCSC2)C[C@@H]([NH3+])C1 ZINC000925675647 648275379 /nfs/dbraw/zinc/27/53/79/648275379.db2.gz XVGUYONLSJIPPO-XQQFMLRXSA-N 2 0 256.459 2.625 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925678155 648276738 /nfs/dbraw/zinc/27/67/38/648276738.db2.gz SCVGGZKAASSOTI-XHSDSOJGSA-N 2 0 282.472 2.671 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925679274 648277525 /nfs/dbraw/zinc/27/75/25/648277525.db2.gz IWWLCFHDTNZQON-KGLIPLIRSA-N 2 0 275.440 2.855 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925681446 648277576 /nfs/dbraw/zinc/27/75/76/648277576.db2.gz UZYZYWICMJRWJK-XHSDSOJGSA-N 2 0 280.456 2.559 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925685355 648279458 /nfs/dbraw/zinc/27/94/58/648279458.db2.gz LLGNNAJCASXSJP-FRRDWIJNSA-N 2 0 272.383 2.788 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C12CCC2 ZINC000925686846 648280344 /nfs/dbraw/zinc/28/03/44/648280344.db2.gz XBDOBNGQQWGCBK-WCXIOVBPSA-N 2 0 292.467 2.702 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)c1 ZINC000925689579 648281596 /nfs/dbraw/zinc/28/15/96/648281596.db2.gz SIVXDLHAKZJWJW-DAQGBAQMSA-N 2 0 298.430 2.527 20 0 CFADRP COCC1CCC([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925695049 648284272 /nfs/dbraw/zinc/28/42/72/648284272.db2.gz YDNCLUDVDLLTGC-MTERUZRBSA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000925697562 648284749 /nfs/dbraw/zinc/28/47/49/648284749.db2.gz YAZMREFARSTDPH-POZKNUATSA-N 2 0 274.383 2.787 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)c2nccn21 ZINC000925697206 648285384 /nfs/dbraw/zinc/28/53/84/648285384.db2.gz ZNXUWLXXXYERDM-VNQPRFMTSA-N 2 0 284.407 2.959 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000925706284 648288185 /nfs/dbraw/zinc/28/81/85/648288185.db2.gz BYICQRHACGNIAL-GOSISDBHSA-N 3 0 283.419 2.715 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925707515 648289418 /nfs/dbraw/zinc/28/94/18/648289418.db2.gz OXCVPBRLQJHQOX-LTIDMASMSA-N 2 0 285.435 2.622 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925708874 648289975 /nfs/dbraw/zinc/28/99/75/648289975.db2.gz SWNHOMZLHGWKLH-DIUUUIEZSA-N 2 0 288.410 2.651 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1(F)F ZINC000925711133 648291430 /nfs/dbraw/zinc/29/14/30/648291430.db2.gz SRWWKMHBJMQOIZ-RYUDHWBXSA-N 2 0 258.356 2.686 20 0 CFADRP c1coc(CCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925715680 648294326 /nfs/dbraw/zinc/29/43/26/648294326.db2.gz KKHZZBZFROBQGX-IAGOWNOFSA-N 2 0 276.424 2.970 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@@H]([NH3+])C1 ZINC000925715824 648295258 /nfs/dbraw/zinc/29/52/58/648295258.db2.gz HXJXOOADIHANEH-SJORKVTESA-N 3 0 293.499 2.604 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCS2)C[C@@H]([NH3+])C1 ZINC000925721901 648297852 /nfs/dbraw/zinc/29/78/52/648297852.db2.gz HYNJZARQJSDLCD-AGIUHOORSA-N 2 0 256.459 2.768 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925721800 648298235 /nfs/dbraw/zinc/29/82/35/648298235.db2.gz QSELRLQAIJLERL-WISYIIOYSA-N 2 0 291.266 2.937 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925722657 648298440 /nfs/dbraw/zinc/29/84/40/648298440.db2.gz MYTJLFVQRRWFPL-QGZVFWFLSA-N 3 0 293.499 2.761 20 0 CFADRP C[C@H]([NH3+])[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000925725210 648298977 /nfs/dbraw/zinc/29/89/77/648298977.db2.gz RUFOOJZXGJKOPC-LIRRHRJNSA-N 2 0 295.430 2.510 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)OCC ZINC000925723556 648299241 /nfs/dbraw/zinc/29/92/41/648299241.db2.gz RBUCUSLNYLWUJZ-IXDOHACOSA-N 2 0 282.472 2.950 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925727033 648299791 /nfs/dbraw/zinc/29/97/91/648299791.db2.gz BNDINQUIJMZLIY-WYUUTHIRSA-N 2 0 274.330 2.743 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)OC1 ZINC000925730953 648300648 /nfs/dbraw/zinc/30/06/48/648300648.db2.gz IMCDRQDWGPDGAL-MELADBBJSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925731094 648301007 /nfs/dbraw/zinc/30/10/07/648301007.db2.gz JOLIVVMEIRDYGY-SWLSCSKDSA-N 2 0 291.439 2.705 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1noc2ccc(F)cc21 ZINC000925733697 648301771 /nfs/dbraw/zinc/30/17/71/648301771.db2.gz LMPIHVBEAFEBEP-BAYUOZKJSA-N 2 0 289.354 2.572 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CC(F)F ZINC000925732478 648302500 /nfs/dbraw/zinc/30/25/00/648302500.db2.gz BTRKIUDLEZXZRQ-QJPTWQEYSA-N 2 0 260.372 2.646 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925735992 648302677 /nfs/dbraw/zinc/30/26/77/648302677.db2.gz JHICRGRAYZRNFX-RYUDHWBXSA-N 2 0 262.397 2.788 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000925740029 648305862 /nfs/dbraw/zinc/30/58/62/648305862.db2.gz GLCPHFHTNAHWCN-AWEZNQCLSA-N 2 0 250.361 2.994 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742650 648306357 /nfs/dbraw/zinc/30/63/57/648306357.db2.gz WFPMDYRTXUDLLA-OLZOCXBDSA-N 2 0 256.434 2.543 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000925742715 648306394 /nfs/dbraw/zinc/30/63/94/648306394.db2.gz XGYURMDVYWXZKV-CYBMUJFWSA-N 2 0 266.360 2.756 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@@H]1CCCOC1 ZINC000925770424 648314366 /nfs/dbraw/zinc/31/43/66/648314366.db2.gz TUIFESXHPDPJHG-CPUCHLNUSA-N 2 0 291.439 2.705 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@H]1CCCOC1 ZINC000925770425 648314633 /nfs/dbraw/zinc/31/46/33/648314633.db2.gz TUIFESXHPDPJHG-KEYYUXOJSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925772877 648316221 /nfs/dbraw/zinc/31/62/21/648316221.db2.gz KPZKQJFMWVCHAC-LWGJEFJTSA-N 2 0 250.430 2.774 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925774432 648317674 /nfs/dbraw/zinc/31/76/74/648317674.db2.gz NUSNXSGEFUCOLE-KBXIAJHMSA-N 2 0 280.456 2.558 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC2(CCC2)CO1 ZINC000925775095 648317767 /nfs/dbraw/zinc/31/77/67/648317767.db2.gz OBIYBKHSHVGTAG-LUKYLMHMSA-N 2 0 292.467 2.846 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775958 648318547 /nfs/dbraw/zinc/31/85/47/648318547.db2.gz IOVLBWWDHMHNAY-TUAOUCFPSA-N 2 0 260.372 2.646 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000925775506 648318703 /nfs/dbraw/zinc/31/87/03/648318703.db2.gz GUEWHTVANIYUKS-RYUDHWBXSA-N 2 0 258.356 2.544 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925776350 648319259 /nfs/dbraw/zinc/31/92/59/648319259.db2.gz XDEUNAZQYYSREZ-ZACQAIPSSA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780741 648320807 /nfs/dbraw/zinc/32/08/07/648320807.db2.gz VJCKEUPWKNTSAA-SWLSCSKDSA-N 2 0 280.362 2.817 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785271 648323089 /nfs/dbraw/zinc/32/30/89/648323089.db2.gz MQICOCLPNWITAK-UPJWGTAASA-N 2 0 250.361 2.640 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000925786808 648323212 /nfs/dbraw/zinc/32/32/12/648323212.db2.gz VJENVDVHFWVTRJ-XUJVJEKNSA-N 2 0 294.826 2.999 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785270 648323246 /nfs/dbraw/zinc/32/32/46/648323246.db2.gz MQICOCLPNWITAK-AGIUHOORSA-N 2 0 250.361 2.640 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925790042 648324788 /nfs/dbraw/zinc/32/47/88/648324788.db2.gz FKWGWSUTGPCDNZ-WOPDTQHZSA-N 2 0 279.453 2.528 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925794423 648326422 /nfs/dbraw/zinc/32/64/22/648326422.db2.gz FBAPLRPPAIHFEE-XJKCOSOUSA-N 2 0 289.423 2.541 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(F)c1 ZINC000925797983 648326503 /nfs/dbraw/zinc/32/65/03/648326503.db2.gz JDCYSTFHQJFTEH-GRYCIOLGSA-N 2 0 268.351 2.861 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nc2c(s1)CCCC2 ZINC000925797674 648326653 /nfs/dbraw/zinc/32/66/53/648326653.db2.gz OYXQJQNSWISXPJ-FRRDWIJNSA-N 2 0 293.480 2.918 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)COC2 ZINC000925799230 648327199 /nfs/dbraw/zinc/32/71/99/648327199.db2.gz OJLRRTMHFLOMRC-UMVBOHGHSA-N 2 0 274.408 2.613 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925799166 648327385 /nfs/dbraw/zinc/32/73/85/648327385.db2.gz MUOJSSVIICVLFE-MBNYWOFBSA-N 2 0 250.361 2.722 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808387 648330157 /nfs/dbraw/zinc/33/01/57/648330157.db2.gz NHUHBIBEHPWWAH-SJORKVTESA-N 3 0 281.488 2.654 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806510 648330276 /nfs/dbraw/zinc/33/02/76/648330276.db2.gz FDSKJRHUDZLSKG-ZBFHGGJFSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)CCO1 ZINC000925809111 648330977 /nfs/dbraw/zinc/33/09/77/648330977.db2.gz SHUBJSVJCJFPFD-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809406 648331286 /nfs/dbraw/zinc/33/12/86/648331286.db2.gz UVECJKMMEXHWDY-YJBOKZPZSA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925817174 648332701 /nfs/dbraw/zinc/33/27/01/648332701.db2.gz OAXNKCJTMVJHHY-MRXNPFEDSA-N 2 0 283.504 2.850 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925825543 648335182 /nfs/dbraw/zinc/33/51/82/648335182.db2.gz GESCOWQHLJADIQ-YCPHGPKFSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1C ZINC000925830528 648336461 /nfs/dbraw/zinc/33/64/61/648336461.db2.gz RLDWKMKGKDBHEM-DZGCQCFKSA-N 2 0 262.397 2.796 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cnn1C(C)C ZINC000925842245 648342168 /nfs/dbraw/zinc/34/21/68/648342168.db2.gz ZWOMTDVKZFBNGL-KBRIMQKVSA-N 2 0 290.455 2.955 20 0 CFADRP CC1(C)CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925842834 648342540 /nfs/dbraw/zinc/34/25/40/648342540.db2.gz BNEYQWCBNQSNPX-UHFFFAOYSA-N 2 0 281.488 2.620 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCSC3(CCC3)C2)CC1 ZINC000925861450 648348294 /nfs/dbraw/zinc/34/82/94/648348294.db2.gz PVLWAKKPWDXZTH-BPCQOVAHSA-N 2 0 254.443 2.664 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872334 648351770 /nfs/dbraw/zinc/35/17/70/648351770.db2.gz SZBVPCNIICKFLM-CXAGYDPISA-N 2 0 296.418 2.972 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000925877307 648352936 /nfs/dbraw/zinc/35/29/36/648352936.db2.gz OAITXUKXQPGQLD-BMFZPTHFSA-N 2 0 298.434 2.959 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c2nccn21 ZINC000925883120 648354294 /nfs/dbraw/zinc/35/42/94/648354294.db2.gz WAAZYCYFNHLQSF-IIVZCXTMSA-N 2 0 296.418 2.538 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)[C@H]1OC ZINC000925882996 648354331 /nfs/dbraw/zinc/35/43/31/648354331.db2.gz QVEUDQGORZCZTO-UXXRCYHCSA-N 2 0 268.445 2.543 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000925883511 648355371 /nfs/dbraw/zinc/35/53/71/648355371.db2.gz ZIBVPMWKZDKFNZ-BDXSIMOUSA-N 2 0 270.420 2.824 20 0 CFADRP COC[C@H](CC(C)C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887851 648356122 /nfs/dbraw/zinc/35/61/22/648356122.db2.gz NYBQYKUIMQCAGE-OKZBNKHCSA-N 2 0 290.451 2.696 20 0 CFADRP C[C@H]([NH2+]CC1(CO)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926141004 648415074 /nfs/dbraw/zinc/41/50/74/648415074.db2.gz CTXPYWWZIZIMEH-AWEZNQCLSA-N 2 0 276.424 2.561 20 0 CFADRP C[C@@H]([NH2+]CC1(CO)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926141006 648415810 /nfs/dbraw/zinc/41/58/10/648415810.db2.gz CTXPYWWZIZIMEH-CQSZACIVSA-N 2 0 276.424 2.561 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926224945 648440363 /nfs/dbraw/zinc/44/03/63/648440363.db2.gz SSSRKMDZUOGUAC-RCBQFDQVSA-N 2 0 276.424 2.558 20 0 CFADRP CCOC(C)(C)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926231464 648442552 /nfs/dbraw/zinc/44/25/52/648442552.db2.gz FZGFEGRPQPCQHL-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1oc2ccccc2c1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000926255148 648449033 /nfs/dbraw/zinc/44/90/33/648449033.db2.gz PPHBXHOSNCLDHY-ZDUSSCGKSA-N 2 0 290.407 2.970 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926257382 648449998 /nfs/dbraw/zinc/44/99/98/648449998.db2.gz DLSZCAQQGPCBBP-JJRVBVJISA-N 2 0 276.424 2.560 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276613 648453363 /nfs/dbraw/zinc/45/33/63/648453363.db2.gz YPOFFRURIMLBJQ-HOTGVXAUSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)(C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000926273822 648453498 /nfs/dbraw/zinc/45/34/98/648453498.db2.gz BHJHEEZTRVBLHL-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276615 648454395 /nfs/dbraw/zinc/45/43/95/648454395.db2.gz YPOFFRURIMLBJQ-HZPDHXFCSA-N 2 0 282.472 2.759 20 0 CFADRP C([NH2+][C@H]1CCOC12CCCCC2)C1CC[NH+](C2CC2)CC1 ZINC000926308217 648459009 /nfs/dbraw/zinc/45/90/09/648459009.db2.gz NYLCWVGSNHQLFI-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308752 648459583 /nfs/dbraw/zinc/45/95/83/648459583.db2.gz PHPBCYRLXUWYCY-WMZOPIPTSA-N 2 0 294.483 2.782 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC3CCC2CC3)CC[NH+](C)CC1 ZINC000926448966 648491279 /nfs/dbraw/zinc/49/12/79/648491279.db2.gz QAYPMJKFVVTVPP-YMAMQOFZSA-N 2 0 282.497 2.982 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)nn1 ZINC000926485823 648505835 /nfs/dbraw/zinc/50/58/35/648505835.db2.gz BUIBLYPSBIHCJV-OAHLLOKOSA-N 2 0 293.459 2.776 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926515385 648516022 /nfs/dbraw/zinc/51/60/22/648516022.db2.gz WWXORPBFZUKJRS-BBRMVZONSA-N 2 0 276.424 2.966 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926523157 648518814 /nfs/dbraw/zinc/51/88/14/648518814.db2.gz BOICAPXODPGFEA-HZPDHXFCSA-N 2 0 268.445 2.654 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)ccc12 ZINC000926568224 648536130 /nfs/dbraw/zinc/53/61/30/648536130.db2.gz RKLJRBYWICIPDJ-RDJZCZTQSA-N 2 0 285.391 2.629 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)ccc12 ZINC000926567746 648536397 /nfs/dbraw/zinc/53/63/97/648536397.db2.gz MWJCLWPPLRTERY-NVXWUHKLSA-N 2 0 285.391 2.629 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(O)cc(F)c1 ZINC000926573194 648537884 /nfs/dbraw/zinc/53/78/84/648537884.db2.gz JGSXJJMSUNNIIQ-CHWSQXEVSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc(C[NH+](C)C)c1 ZINC000926596164 648546564 /nfs/dbraw/zinc/54/65/64/648546564.db2.gz NQAQNTMRTBEZCN-QILLFSRXSA-N 2 0 290.451 2.950 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000926605546 648550390 /nfs/dbraw/zinc/55/03/90/648550390.db2.gz DXKVCRSMTTXCIT-UHFFFAOYSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000926644864 648560083 /nfs/dbraw/zinc/56/00/83/648560083.db2.gz KTFKFHMINNKCHR-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC000926660725 648566086 /nfs/dbraw/zinc/56/60/86/648566086.db2.gz YXIPCECKHGDIJG-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926691359 648577425 /nfs/dbraw/zinc/57/74/25/648577425.db2.gz AKFAQQYWJVILTP-JQFCIGGWSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000926709097 648584596 /nfs/dbraw/zinc/58/45/96/648584596.db2.gz ZAUSAACFGWDILJ-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP Cc1cncc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926712881 648586539 /nfs/dbraw/zinc/58/65/39/648586539.db2.gz PAJFFOJFPBWEPA-OAHLLOKOSA-N 2 0 298.434 2.740 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926716525 648588618 /nfs/dbraw/zinc/58/86/18/648588618.db2.gz UIQJSPNJAHZSFF-CRAIPNDOSA-N 2 0 289.467 2.883 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1(Cl)CC1 ZINC000926738507 648597456 /nfs/dbraw/zinc/59/74/56/648597456.db2.gz MAFNECYHXDUQTL-TZMCWYRMSA-N 2 0 270.848 2.858 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926776512 648610697 /nfs/dbraw/zinc/61/06/97/648610697.db2.gz MIGPRJVQRRYXGK-JLJPHGGASA-N 2 0 276.424 2.824 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000926791126 648617309 /nfs/dbraw/zinc/61/73/09/648617309.db2.gz NUMQSKWSHVJLLX-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H](C[C@H](C)O)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926816199 648626800 /nfs/dbraw/zinc/62/68/00/648626800.db2.gz LBQNETTTYJKITI-GJZGRUSLSA-N 2 0 270.461 2.636 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2ncccc12 ZINC000926835548 648631123 /nfs/dbraw/zinc/63/11/23/648631123.db2.gz WROAHBFTLAXTEQ-MVVMVCHASA-N 2 0 281.403 2.665 20 0 CFADRP COC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926851389 648634514 /nfs/dbraw/zinc/63/45/14/648634514.db2.gz KAFBXIXOUOAPPV-FZNQNYSPSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[C@@H](O)CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000927020159 648686253 /nfs/dbraw/zinc/68/62/53/648686253.db2.gz IAXFGYDWYALMNL-MRXNPFEDSA-N 2 0 270.461 2.638 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H]2CCO[C@H]21 ZINC000927040268 648690668 /nfs/dbraw/zinc/69/06/68/648690668.db2.gz ZVUFXXUWIQCRSG-DSZOFWSKSA-N 2 0 292.467 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)[C@H]2CCC[C@@H]21 ZINC000927131600 648723179 /nfs/dbraw/zinc/72/31/79/648723179.db2.gz XPGUMWWRXZFRRY-YVSFHVDLSA-N 2 0 292.467 2.941 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccccc2CF)CC1 ZINC000929283923 649023496 /nfs/dbraw/zinc/02/34/96/649023496.db2.gz VVUWZCLAYDTCGR-UHFFFAOYSA-N 2 0 264.388 2.930 20 0 CFADRP Cc1cccc([C@@H](O)CN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000929724250 649106840 /nfs/dbraw/zinc/10/68/40/649106840.db2.gz YKCNGMGXUGMOEZ-MSOLQXFVSA-N 2 0 290.451 2.835 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](COC)C(C)C)C1 ZINC000929747464 649110090 /nfs/dbraw/zinc/11/00/90/649110090.db2.gz CZXAFYZGHVWHFG-HOTGVXAUSA-N 2 0 270.461 2.569 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000929806544 649127336 /nfs/dbraw/zinc/12/73/36/649127336.db2.gz PNVPSGQPRUHOFB-MRXNPFEDSA-N 2 0 289.423 2.560 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C[C@H](C)O1 ZINC000929849095 649138563 /nfs/dbraw/zinc/13/85/63/649138563.db2.gz WDSLXRROJLAZCC-BIVLZKPYSA-N 2 0 280.456 2.606 20 0 CFADRP CC1CC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000930060453 649175696 /nfs/dbraw/zinc/17/56/96/649175696.db2.gz IQUPANZYBPIGBE-BOXZVXIZSA-N 2 0 262.441 2.981 20 0 CFADRP COC[C@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000930143911 649192722 /nfs/dbraw/zinc/19/27/22/649192722.db2.gz BWLRPIKFGUMPEJ-KRWDZBQOSA-N 2 0 284.488 2.959 20 0 CFADRP CC[C@@H](CO)[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000930373748 649239856 /nfs/dbraw/zinc/23/98/56/649239856.db2.gz LTFNRKKPBUQXGK-CABCVRRESA-N 2 0 296.480 2.581 20 0 CFADRP C[N@H+](CCc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461100 649253494 /nfs/dbraw/zinc/25/34/94/649253494.db2.gz UDABBXBPZQMXIY-SJPCQFCGSA-N 2 0 276.399 2.925 20 0 CFADRP C[N@H+](CCSc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461693 649253876 /nfs/dbraw/zinc/25/38/76/649253876.db2.gz YQAACLIPSMWCLQ-YIONKMFJSA-N 2 0 291.464 2.731 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(C)(F)F)C2)C1 ZINC000930578002 649279369 /nfs/dbraw/zinc/27/93/69/649279369.db2.gz WYWJNZQXJDQJTF-CQSZACIVSA-N 2 0 260.372 2.840 20 0 CFADRP COC[C@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000930804883 649327749 /nfs/dbraw/zinc/32/77/49/649327749.db2.gz CJEZQCQSGWBVFC-INIZCTEOSA-N 2 0 291.439 2.512 20 0 CFADRP CCCC[N@H+](CCCO)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033405 649368060 /nfs/dbraw/zinc/36/80/60/649368060.db2.gz RLHKOFHYFCPPGT-UHFFFAOYSA-N 2 0 270.461 2.780 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000931352960 649413596 /nfs/dbraw/zinc/41/35/96/649413596.db2.gz XWCQZUXPRALSCS-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000931354010 649413713 /nfs/dbraw/zinc/41/37/13/649413713.db2.gz HBPOWOBLPUVOJV-CLLJXQQHSA-N 2 0 272.383 2.694 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C)([NH+](C)C)CC1)C1CCCC1 ZINC000931356426 649414430 /nfs/dbraw/zinc/41/44/30/649414430.db2.gz WWTSTRQQKAAQLG-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931436201 649426518 /nfs/dbraw/zinc/42/65/18/649426518.db2.gz KOIJTEDRTYIXDG-CABCVRRESA-N 2 0 262.372 2.518 20 0 CFADRP Cc1ccccc1CCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931437936 649427886 /nfs/dbraw/zinc/42/78/86/649427886.db2.gz XHLWWDAZPDALBX-MSOLQXFVSA-N 2 0 272.436 2.811 20 0 CFADRP C[C@H](c1ccccc1Cl)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484903 649439469 /nfs/dbraw/zinc/43/94/69/649439469.db2.gz VFXPBMYMXGONDT-CYBMUJFWSA-N 2 0 296.842 2.790 20 0 CFADRP Cc1cn(C)nc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000931561636 649455044 /nfs/dbraw/zinc/45/50/44/649455044.db2.gz KZBJSNDCRUAIHL-UHFFFAOYSA-N 2 0 292.471 2.528 20 0 CFADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1ccc(OC(F)F)cc1 ZINC000931725968 649480397 /nfs/dbraw/zinc/48/03/97/649480397.db2.gz ISOKACJAUPEDIS-UONOGXRCSA-N 2 0 296.361 2.957 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](COC)C(C)C)CC1 ZINC000931751603 649484092 /nfs/dbraw/zinc/48/40/92/649484092.db2.gz BMMBDTYEOHIJNT-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932891325 649657962 /nfs/dbraw/zinc/65/79/62/649657962.db2.gz TWXZXALNFWYELQ-BRWVUGGUSA-N 2 0 262.441 2.981 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCCCCC3)C[C@]2(C)C1 ZINC000933737863 649718334 /nfs/dbraw/zinc/71/83/34/649718334.db2.gz TXDXTKLPYXRGCS-CVEARBPZSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305761365 651076387 /nfs/dbraw/zinc/07/63/87/651076387.db2.gz DVOSWARIUSQOMM-BBRMVZONSA-N 2 0 292.423 2.556 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000723969453 770726607 /nfs/dbraw/zinc/72/66/07/770726607.db2.gz QQIHGXKMJABHCA-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@H](C)C1 ZINC001235820692 778567376 /nfs/dbraw/zinc/56/73/76/778567376.db2.gz RGVPFYJVFRXTLE-HZPDHXFCSA-N 2 0 287.451 2.717 20 0 CFADRP CC/C=C\CCCCC[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001208194141 769897760 /nfs/dbraw/zinc/89/77/60/769897760.db2.gz LFRORXLDANYTEY-WAYWQWQTSA-N 2 0 281.488 2.692 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H](c3ccccc3)C2)C1 ZINC001208607243 769910089 /nfs/dbraw/zinc/91/00/89/769910089.db2.gz KTLDGYQLYARWMK-DOTOQJQBSA-N 2 0 258.409 2.818 20 0 CFADRP Cc1nccn1-c1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001140022252 770021802 /nfs/dbraw/zinc/02/18/02/770021802.db2.gz CCMSTBQMIPKKFO-ZIAGYGMSSA-N 2 0 285.391 2.790 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000693019240 770095010 /nfs/dbraw/zinc/09/50/10/770095010.db2.gz GVQGHADUXFBBJZ-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209420587 770069004 /nfs/dbraw/zinc/06/90/04/770069004.db2.gz FCRVYPNMVPGCTO-CHWSQXEVSA-N 2 0 254.393 2.541 20 0 CFADRP CC[N@H+](CCn1ccnc1)Cc1cnc(Cl)cc1C ZINC001209634936 770120862 /nfs/dbraw/zinc/12/08/62/770120862.db2.gz YXIFXHQZDRCJHW-UHFFFAOYSA-N 2 0 278.787 2.762 20 0 CFADRP C[N@@H+]1CC[C@H](Nc2ccc(SC3CC[NH2+]CC3)cc2)C1 ZINC001167280928 770206736 /nfs/dbraw/zinc/20/67/36/770206736.db2.gz IIYPHPAXENWQLC-AWEZNQCLSA-N 2 0 291.464 2.647 20 0 CFADRP CC[NH+](CC)Cc1cc(OC)ccc1N[C@H]1CC[N@H+](C)C1 ZINC001167281191 770206814 /nfs/dbraw/zinc/20/68/14/770206814.db2.gz NXPMGFQBMSNROR-HNNXBMFYSA-N 2 0 291.439 2.653 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207189704 770579341 /nfs/dbraw/zinc/57/93/41/770579341.db2.gz DGFXTZZRBMAWMZ-PNBKFKSVSA-N 2 0 290.838 2.937 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723615416 770618578 /nfs/dbraw/zinc/61/85/78/770618578.db2.gz PHQAFAPLYFYMSU-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723623433 770623261 /nfs/dbraw/zinc/62/32/61/770623261.db2.gz ZFYJEXVAXZMXSZ-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000723637901 770631304 /nfs/dbraw/zinc/63/13/04/770631304.db2.gz KTZRKJYXWYRPIE-DRRXZNNHSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723678480 770648352 /nfs/dbraw/zinc/64/83/52/770648352.db2.gz TYUJDRHPWCRHOY-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000723690375 770649820 /nfs/dbraw/zinc/64/98/20/770649820.db2.gz QMFLVEMMBFUBAL-GFCCVEGCSA-N 2 0 273.355 2.545 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000723690853 770650381 /nfs/dbraw/zinc/65/03/81/770650381.db2.gz BAQBSNSPOBYXRB-NSHDSACASA-N 2 0 254.324 2.795 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1CC[NH3+] ZINC000723888755 770706999 /nfs/dbraw/zinc/70/69/99/770706999.db2.gz OELNYOAOIKJBDC-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@H]1CC[NH3+] ZINC000723903241 770710423 /nfs/dbraw/zinc/71/04/23/770710423.db2.gz VDTIZLLBWDZKMW-ZIAGYGMSSA-N 2 0 269.392 2.652 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000723977982 770731978 /nfs/dbraw/zinc/73/19/78/770731978.db2.gz MPEBTVDDZSTQCP-YYIAUSFCSA-N 2 0 280.456 2.654 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723980559 770734161 /nfs/dbraw/zinc/73/41/61/770734161.db2.gz OMBFNUGTYXHCPP-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+](Cc1cccc(Br)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693549584 770827180 /nfs/dbraw/zinc/82/71/80/770827180.db2.gz XZOMBNWCCPEHAE-BJHJDKERSA-N 2 0 283.213 2.618 20 0 CFADRP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)CCC1(F)F ZINC001207275761 770866282 /nfs/dbraw/zinc/86/62/82/770866282.db2.gz OQPLYKHEVPOJPB-GFCCVEGCSA-N 2 0 262.388 2.941 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000690741518 770938850 /nfs/dbraw/zinc/93/88/50/770938850.db2.gz WACURPXXQYUZNJ-NSHDSACASA-N 2 0 283.213 2.620 20 0 CFADRP COc1cc2[nH+]ccc(-n3cccc3C[NH3+])c2cc1OC ZINC001167593300 770954837 /nfs/dbraw/zinc/95/48/37/770954837.db2.gz PSDVBVGNDHQBKQ-UHFFFAOYSA-N 2 0 283.331 2.501 20 0 CFADRP CSC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000693676423 773212977 /nfs/dbraw/zinc/21/29/77/773212977.db2.gz IAMATXRGFMKVJB-FRRDWIJNSA-N 2 0 268.470 2.638 20 0 CFADRP C[N@H+](C[C@H]1CCOc2ccccc21)C1CCC([NH3+])CC1 ZINC000161793378 775141499 /nfs/dbraw/zinc/14/14/99/775141499.db2.gz ZXBNTCFRYJYOOZ-WLYUNCDWSA-N 2 0 274.408 2.754 20 0 CFADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000708470555 775223109 /nfs/dbraw/zinc/22/31/09/775223109.db2.gz SYKFYBTUPZKJMK-KRWDZBQOSA-N 2 0 258.409 2.736 20 0 CFADRP C[NH+](C)Cc1ccc(-c2nccc(C3CC[NH2+]CC3)n2)cc1 ZINC001204613365 775228584 /nfs/dbraw/zinc/22/85/84/775228584.db2.gz UUXUERLUSKGWAR-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1COC1CCN(c2cc[nH+]cc2)CC1 ZINC001224704462 775253975 /nfs/dbraw/zinc/25/39/75/775253975.db2.gz ZDDOFFPHAQOZOG-MRXNPFEDSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC[C@@H]1CCC[NH+]1C ZINC001224822171 775283214 /nfs/dbraw/zinc/28/32/14/775283214.db2.gz AADQYBSRYUSQKR-SZMVWBNQSA-N 2 0 288.435 2.618 20 0 CFADRP C[C@H](C[NH+](C)C)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224830304 775285319 /nfs/dbraw/zinc/28/53/19/775285319.db2.gz MWPVUSJRMDOQHI-SJLPKXTDSA-N 2 0 290.451 2.865 20 0 CFADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708822289 775469778 /nfs/dbraw/zinc/46/97/78/775469778.db2.gz NBCLRVDXTRXBQY-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001140975108 775717592 /nfs/dbraw/zinc/71/75/92/775717592.db2.gz DDNNIQRSQJIXRG-MRXNPFEDSA-N 2 0 287.451 2.670 20 0 CFADRP C/C=C(\NC=[NH2+])NCC[NH+](CCCC)CCCC ZINC001167732358 775860919 /nfs/dbraw/zinc/86/09/19/775860919.db2.gz ZJVQXSRABYBEQQ-NSIKDUERSA-N 2 0 254.422 2.536 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001207479475 775929773 /nfs/dbraw/zinc/92/97/73/775929773.db2.gz JOXGNJZJGTYKOB-CVEARBPZSA-N 2 0 278.440 2.552 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001207483790 775993956 /nfs/dbraw/zinc/99/39/56/775993956.db2.gz HYMCZDRPKFRJAE-QGZVFWFLSA-N 2 0 273.424 2.603 20 0 CFADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227149734 776115722 /nfs/dbraw/zinc/11/57/22/776115722.db2.gz DVWDZOWMTLSPAL-HUUCEWRRSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000709466919 776140665 /nfs/dbraw/zinc/14/06/65/776140665.db2.gz STRCWJUYKRAYRG-RISCZKNCSA-N 2 0 252.789 2.912 20 0 CFADRP [NH3+]CC1(F)CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001222531298 776164434 /nfs/dbraw/zinc/16/44/34/776164434.db2.gz AWNFYXGMEIRBNN-UHFFFAOYSA-N 2 0 279.334 2.570 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463710 776347742 /nfs/dbraw/zinc/34/77/42/776347742.db2.gz WMKQWXPBBJXWES-UPJWGTAASA-N 2 0 252.427 2.799 20 0 CFADRP Clc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000692875346 776469499 /nfs/dbraw/zinc/46/94/99/776469499.db2.gz YMRPTRZRFRHHAY-OAHLLOKOSA-N 2 0 293.842 2.947 20 0 CFADRP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001277316416 776543892 /nfs/dbraw/zinc/54/38/92/776543892.db2.gz YSONULLNKPPQSC-CVEARBPZSA-N 2 0 297.487 2.534 20 0 CFADRP CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001277316419 776544840 /nfs/dbraw/zinc/54/48/40/776544840.db2.gz YSONULLNKPPQSC-JKSUJKDBSA-N 2 0 297.487 2.534 20 0 CFADRP CCN1CCC([N@H+](C)[C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167825570 776545587 /nfs/dbraw/zinc/54/55/87/776545587.db2.gz KEWTXKSDEMBSFA-MRXNPFEDSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2ncccc2C1 ZINC001167826019 776546841 /nfs/dbraw/zinc/54/68/41/776546841.db2.gz MAPVBCCMNOEEFQ-OAHLLOKOSA-N 2 0 275.440 2.950 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cc(C)nn1C ZINC001167826901 776548161 /nfs/dbraw/zinc/54/81/61/776548161.db2.gz RSUXMQPHSDCNPO-OAHLLOKOSA-N 2 0 280.460 2.671 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC)C1 ZINC001167833353 776568951 /nfs/dbraw/zinc/56/89/51/776568951.db2.gz AIEBUEQCTLXFBX-JYJNAYRXSA-N 2 0 298.471 2.628 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([N@H+](C)CC)CC1 ZINC001167833948 776571674 /nfs/dbraw/zinc/57/16/74/776571674.db2.gz GHUNDUNWTDVTMM-MRXNPFEDSA-N 3 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@@H]1CCC2(C1)OCCO2 ZINC001167840965 776602405 /nfs/dbraw/zinc/60/24/05/776602405.db2.gz IUKNWKVOVSJJNZ-HZPDHXFCSA-N 2 0 298.471 2.724 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@H]1CCC2(C1)OCCO2 ZINC001167840961 776603377 /nfs/dbraw/zinc/60/33/77/776603377.db2.gz IUKNWKVOVSJJNZ-CVEARBPZSA-N 2 0 298.471 2.724 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)CN1C1CC1 ZINC000925806181 776605723 /nfs/dbraw/zinc/60/57/23/776605723.db2.gz BBXBJWDQHVDLBY-WBVHZDCISA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000222910349 776606792 /nfs/dbraw/zinc/60/67/92/776606792.db2.gz LLKIZBALSZMOJI-QWHCGFSZSA-N 2 0 252.377 2.687 20 0 CFADRP CO[C@@H](C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000393471892 776658762 /nfs/dbraw/zinc/65/87/62/776658762.db2.gz ZUEHAIPGFKMQDQ-GPANFISMSA-N 2 0 262.397 2.576 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167894044 776730153 /nfs/dbraw/zinc/73/01/53/776730153.db2.gz MTXSYSXQYJPVEE-FJIDUMEYSA-N 2 0 270.420 2.897 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CC3(C2)CCC[NH2+]C3)CC(C)(C)C1 ZINC000709848017 776781860 /nfs/dbraw/zinc/78/18/60/776781860.db2.gz CZEHIBIPMAXZMK-KGLIPLIRSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CC3(C2)CCC[NH2+]C3)CC(C)(C)C1 ZINC000709848014 776781959 /nfs/dbraw/zinc/78/19/59/776781959.db2.gz CZEHIBIPMAXZMK-KBPBESRZSA-N 2 0 250.430 2.887 20 0 CFADRP [NH2+]=C(Nc1cccc(-c2cccnc2)c1)SCC[NH3+] ZINC001167912009 776835556 /nfs/dbraw/zinc/83/55/56/776835556.db2.gz IYWZZYMZGGDWSY-UHFFFAOYSA-N 2 0 272.377 2.787 20 0 CFADRP CC[N@@H+]1CC[C@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229625963 776859028 /nfs/dbraw/zinc/85/90/28/776859028.db2.gz JLQNNJZICXMUOL-BBRMVZONSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H]1CC([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@H](C)C1 ZINC000710014880 777002697 /nfs/dbraw/zinc/00/26/97/777002697.db2.gz LRSGNQMFCVIDFR-IIAWOOMASA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000711165926 777182858 /nfs/dbraw/zinc/18/28/58/777182858.db2.gz FVNYFAXKJYCZER-ZSHCYNCHSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965451 777404923 /nfs/dbraw/zinc/40/49/23/777404923.db2.gz GHMBXFPFSLREQH-ALOPSCKCSA-N 2 0 293.499 2.569 20 0 CFADRP OCC[C@H]1CC12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232011369 777410786 /nfs/dbraw/zinc/41/07/86/777410786.db2.gz CIISCNGATPQLQD-AWEZNQCLSA-N 2 0 285.391 2.547 20 0 CFADRP CCOC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232013752 777412637 /nfs/dbraw/zinc/41/26/37/777412637.db2.gz DWZANYXLJVJVJC-UHFFFAOYSA-N 2 0 259.353 2.564 20 0 CFADRP CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001232151452 777453180 /nfs/dbraw/zinc/45/31/80/777453180.db2.gz NWOXCUJOMKPFNJ-CXAGYDPISA-N 2 0 294.414 2.887 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nccc4ccccc43)C[C@@H]2C1 ZINC001232249521 777492106 /nfs/dbraw/zinc/49/21/06/777492106.db2.gz QUBVUWWCVJKCRM-CVEARBPZSA-N 2 0 281.403 2.618 20 0 CFADRP CC[N@H+](C)C1CCN(Cc2ccc(O)c3ncccc23)CC1 ZINC001232281898 777508334 /nfs/dbraw/zinc/50/83/34/777508334.db2.gz LQQSJMWODMMCBP-UHFFFAOYSA-N 2 0 299.418 2.857 20 0 CFADRP CCOc1ncc(C[N@H+](CC)C2CCN(C)CC2)cc1C ZINC001232310544 777514854 /nfs/dbraw/zinc/51/48/54/777514854.db2.gz XVLIDMVYJSWXAX-UHFFFAOYSA-N 2 0 291.439 2.705 20 0 CFADRP CCOc1ccc(C[N@H+](CC)C2CCN(C)CC2)c(C)n1 ZINC001232311470 777516534 /nfs/dbraw/zinc/51/65/34/777516534.db2.gz KHMQZDPGSLXXOH-UHFFFAOYSA-N 2 0 291.439 2.705 20 0 CFADRP CSc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC001232328434 777522062 /nfs/dbraw/zinc/52/20/62/777522062.db2.gz HUXHIJXORTZHKW-UHFFFAOYSA-N 2 0 279.453 2.577 20 0 CFADRP F[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167991469 777522483 /nfs/dbraw/zinc/52/24/83/777522483.db2.gz AWMNMXHOIKNTKN-LSVZVQIISA-N 2 0 266.404 2.826 20 0 CFADRP CCCC[NH+]1CCC(N(C)Cc2ccc(N)nc2C)CC1 ZINC001232346293 777530943 /nfs/dbraw/zinc/53/09/43/777530943.db2.gz RKOZFJGJICRPFR-UHFFFAOYSA-N 2 0 290.455 2.669 20 0 CFADRP CSc1cc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC001232347128 777531861 /nfs/dbraw/zinc/53/18/61/777531861.db2.gz SCHRBCVRLMCNQW-UHFFFAOYSA-N 2 0 293.480 2.886 20 0 CFADRP CCCO[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167996126 777534726 /nfs/dbraw/zinc/53/47/26/777534726.db2.gz WZNJOQMIAADVSU-UJJTZGENSA-N 2 0 292.467 2.893 20 0 CFADRP CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005784 777577324 /nfs/dbraw/zinc/57/73/24/777577324.db2.gz KIPPTDMXDNOQLF-MVJTYMMSSA-N 2 0 290.451 2.789 20 0 CFADRP Cc1cccc(F)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001232482793 777577371 /nfs/dbraw/zinc/57/73/71/777577371.db2.gz BZJZRRLEKBRHCZ-KGLIPLIRSA-N 2 0 262.372 2.518 20 0 CFADRP Cc1cccc(F)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001232483521 777577453 /nfs/dbraw/zinc/57/74/53/777577453.db2.gz KCAWHXBYNBLNCF-UHFFFAOYSA-N 2 0 262.372 2.662 20 0 CFADRP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)ccn3)CC2)CC1 ZINC001232495719 777583785 /nfs/dbraw/zinc/58/37/85/777583785.db2.gz HNIFGOIZWKDPHJ-UHFFFAOYSA-N 2 0 291.414 2.775 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]2C1 ZINC001232636681 777627471 /nfs/dbraw/zinc/62/74/71/777627471.db2.gz XMWIFFQKRHIGLY-AEFFLSMTSA-N 2 0 284.447 2.949 20 0 CFADRP c1c[nH]c(C[NH2+][C@@]23CC[C@@](Nc4cc[nH+]cc4)(C2)CCC3)c1 ZINC001277695199 777631482 /nfs/dbraw/zinc/63/14/82/777631482.db2.gz WZTZRFNQJFXTPR-ZWKOTPCHSA-N 2 0 296.418 2.879 20 0 CFADRP CCCn1cnc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001232798481 777672869 /nfs/dbraw/zinc/67/28/69/777672869.db2.gz IETQNSNOPVFKIZ-UHFFFAOYSA-N 2 0 292.471 2.845 20 0 CFADRP Cc1cc(O)cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001232885648 777708384 /nfs/dbraw/zinc/70/83/84/777708384.db2.gz LUHAYDQCKKPLHD-UHFFFAOYSA-N 2 0 274.408 2.618 20 0 CFADRP Cc1ncc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)o1 ZINC001233367242 777913072 /nfs/dbraw/zinc/91/30/72/777913072.db2.gz USHFURLICBHYFW-UHFFFAOYSA-N 2 0 277.412 2.537 20 0 CFADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000714258939 777975527 /nfs/dbraw/zinc/97/55/27/777975527.db2.gz WLJWJAFCGJNUDY-QBPKDAKJSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168092113 778019926 /nfs/dbraw/zinc/01/99/26/778019926.db2.gz FCAXBMMHQXGAGG-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC001168102557 778045713 /nfs/dbraw/zinc/04/57/13/778045713.db2.gz GOEYCWSVAUEGLR-HOCLYGCPSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+](C)C1CCC(Oc2cccc3c2CC[N@H+](C)C3)CC1 ZINC001234421230 778221403 /nfs/dbraw/zinc/22/14/03/778221403.db2.gz BSDQBQMAYDNKGL-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP C[N@@H+]1CCCC[C@H]1c1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001168186752 778229288 /nfs/dbraw/zinc/22/92/88/778229288.db2.gz FOLRZLCUZYUBBZ-HNNXBMFYSA-N 2 0 288.439 2.792 20 0 CFADRP CC1(Nc2cc(OCC(F)(F)F)cc[nH+]2)CC[NH2+]CC1 ZINC001168189271 778232946 /nfs/dbraw/zinc/23/29/46/778232946.db2.gz NSNUEIRTJVSNBA-UHFFFAOYSA-N 2 0 289.301 2.577 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000721251852 778294478 /nfs/dbraw/zinc/29/44/78/778294478.db2.gz CRQURDMDGDSALP-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP CC/C=C\CCCCCC[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971555 778343194 /nfs/dbraw/zinc/34/31/94/778343194.db2.gz QDRVPRGWYWIUJH-NMBNSIPYSA-N 2 0 280.456 2.823 20 0 CFADRP FC(F)(F)c1ccccc1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978188 778343975 /nfs/dbraw/zinc/34/39/75/778343975.db2.gz GUWHBJBVCNLPEV-OKILXGFUSA-N 2 0 298.352 2.789 20 0 CFADRP c1ccc2c(c1)Cc1cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc1-2 ZINC001234978913 778345868 /nfs/dbraw/zinc/34/58/68/778345868.db2.gz MEQNZYAUHPLBPJ-HDICACEKSA-N 2 0 290.410 2.909 20 0 CFADRP Cc1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC001235004698 778350117 /nfs/dbraw/zinc/35/01/17/778350117.db2.gz BQZPOXFPIPCDQD-SFHVURJKSA-N 2 0 288.435 2.505 20 0 CFADRP Cc1cccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c1C ZINC001235004716 778350936 /nfs/dbraw/zinc/35/09/36/778350936.db2.gz AVBKISCYEUXMDF-GOSISDBHSA-N 2 0 288.435 2.505 20 0 CFADRP c1ccc(C2(CN3CC[C@H]4C[NH2+]C[C@H]43)CCCC2)cc1 ZINC001235006947 778352126 /nfs/dbraw/zinc/35/21/26/778352126.db2.gz NGENZNUXAIGQCS-DOTOQJQBSA-N 2 0 270.420 2.792 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041361 778363441 /nfs/dbraw/zinc/36/34/41/778363441.db2.gz POQJCNZBGFULPZ-HZMVEIRTSA-N 2 0 260.425 2.807 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038080 778364176 /nfs/dbraw/zinc/36/41/76/778364176.db2.gz SCJBVBSCTVDEDM-NMBNSIPYSA-N 2 0 280.456 2.823 20 0 CFADRP CCOc1cc(C)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094175 778378631 /nfs/dbraw/zinc/37/86/31/778378631.db2.gz HYWSVFXXLKGHCI-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCCc1ccc(CN2CCC[C@]3(C[NH2+]CCO3)C2)s1 ZINC001235113897 778385519 /nfs/dbraw/zinc/38/55/19/778385519.db2.gz HSXQNCIWLNODDE-INIZCTEOSA-N 2 0 294.464 2.655 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CNCCO3)C2)cc1 ZINC001235113251 778386150 /nfs/dbraw/zinc/38/61/50/778386150.db2.gz AXMCLOTXNHCKCJ-SFHVURJKSA-N 2 0 288.435 2.764 20 0 CFADRP Nc1ccccc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154051 778398922 /nfs/dbraw/zinc/39/89/22/778398922.db2.gz HIRMLEJPESQTOO-KRWDZBQOSA-N 2 0 273.424 2.623 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169378 778402060 /nfs/dbraw/zinc/40/20/60/778402060.db2.gz AFBFVCSYDMZDJU-VVLHAWIVSA-N 2 0 260.425 2.807 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC001235186915 778406930 /nfs/dbraw/zinc/40/69/30/778406930.db2.gz PABZKOWPJWIUJI-PMPSAXMXSA-N 2 0 262.441 2.910 20 0 CFADRP CN(CCC[NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168295105 778410858 /nfs/dbraw/zinc/41/08/58/778410858.db2.gz UPVBCVWSGCTZQO-UHFFFAOYSA-N 2 0 289.467 2.975 20 0 CFADRP CN(C)C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168295136 778410965 /nfs/dbraw/zinc/41/09/65/778410965.db2.gz VLMODYCXIJUCRD-DAWZGUTISA-N 2 0 289.467 2.752 20 0 CFADRP C[NH+](C)C1CCC(n2ccc3cc(C[NH3+])cnc32)CC1 ZINC001168297556 778411686 /nfs/dbraw/zinc/41/16/86/778411686.db2.gz CIDIWYYVJPMGFY-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2c(c1)CCCC2 ZINC001235198043 778411553 /nfs/dbraw/zinc/41/15/53/778411553.db2.gz KWLXQMNLPLKCMA-NVXWUHKLSA-N 2 0 270.420 2.607 20 0 CFADRP CCCCC(=O)[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168299613 778415016 /nfs/dbraw/zinc/41/50/16/778415016.db2.gz MDARBIQBBIVJBS-HSBZDZAISA-N 2 0 254.418 2.597 20 0 CFADRP [NH3+][C@@H]1[C@H]2CN(Cc3ccc(Oc4ccccc4)cc3)C[C@H]21 ZINC001235209531 778415505 /nfs/dbraw/zinc/41/55/05/778415505.db2.gz BLHVRFYVQKSIRL-PIIMJCKOSA-N 2 0 280.371 2.868 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3cccc4c5ccccc5oc43)C[C@H]21 ZINC001235210064 778416621 /nfs/dbraw/zinc/41/66/21/778416621.db2.gz JRSFHLVFSGBPDS-QLPKVWCKSA-N 2 0 278.355 2.975 20 0 CFADRP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235211048 778417118 /nfs/dbraw/zinc/41/71/18/778417118.db2.gz TWVCMPLRPKTZPL-ZSHCYNCHSA-N 2 0 258.409 2.763 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC001168303803 778417701 /nfs/dbraw/zinc/41/77/01/778417701.db2.gz DYRNGCACBUFOKH-UHFFFAOYSA-N 2 0 273.380 2.790 20 0 CFADRP C[NH+](C)C1CCC(n2c(C[NH3+])cc3ccncc32)CC1 ZINC001168305515 778419537 /nfs/dbraw/zinc/41/95/37/778419537.db2.gz MDSBBFCRSMBLHV-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235223953 778421057 /nfs/dbraw/zinc/42/10/57/778421057.db2.gz HUBGUCVMEKYBLM-WOPDTQHZSA-N 2 0 264.335 2.506 20 0 CFADRP Cc1ncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235226860 778421730 /nfs/dbraw/zinc/42/17/30/778421730.db2.gz AUHFCUFQDGEWTG-HNNXBMFYSA-N 2 0 279.453 2.806 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCOc2cc(Cl)ccn2)CC1 ZINC001168311838 778422273 /nfs/dbraw/zinc/42/22/73/778422273.db2.gz CHKCMIQWZHVQFU-UHFFFAOYSA-N 2 0 297.830 2.576 20 0 CFADRP Oc1ccc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235230682 778422691 /nfs/dbraw/zinc/42/26/91/778422691.db2.gz WWAACAOCNHOEDI-QGZVFWFLSA-N 2 0 292.398 2.885 20 0 CFADRP Cc1c[nH]c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1C ZINC001235229150 778422878 /nfs/dbraw/zinc/42/28/78/778422878.db2.gz OMPIGJCRJLJOCG-INIZCTEOSA-N 2 0 275.440 2.986 20 0 CFADRP c1[nH]c2ncccc2c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230573 778423013 /nfs/dbraw/zinc/42/30/13/778423013.db2.gz PIYKZJLZJYTYLQ-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235230576 778423039 /nfs/dbraw/zinc/42/30/39/778423039.db2.gz PMTXAGRVTJTSPF-KRWDZBQOSA-N 2 0 274.408 2.746 20 0 CFADRP C1=CO[C@H](C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235231240 778423068 /nfs/dbraw/zinc/42/30/68/778423068.db2.gz DPBACAHGMHZXHD-JKSUJKDBSA-N 2 0 264.413 2.533 20 0 CFADRP CCc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)on1 ZINC001235233141 778424077 /nfs/dbraw/zinc/42/40/77/778424077.db2.gz OIKUCNQLHDBLQB-MRXNPFEDSA-N 2 0 277.412 2.591 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235232584 778424221 /nfs/dbraw/zinc/42/42/21/778424221.db2.gz YRFVVNWSNXAXNX-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C(C)(C)Cc2cccnc2)CC1 ZINC001168312420 778424233 /nfs/dbraw/zinc/42/42/33/778424233.db2.gz VWECJSVQTLNTCU-UHFFFAOYSA-N 2 0 275.440 2.865 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001168314113 778425581 /nfs/dbraw/zinc/42/55/81/778425581.db2.gz JZEPSVNDAWJUJG-QRNKSROTSA-N 2 0 250.430 2.981 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001168315779 778426357 /nfs/dbraw/zinc/42/63/57/778426357.db2.gz OMLZFRVDJUQUBY-KLAILNCOSA-N 3 0 281.488 2.700 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168316017 778427718 /nfs/dbraw/zinc/42/77/18/778427718.db2.gz TUHOMIVHRIYOKJ-UHFFFAOYSA-N 3 0 281.488 2.569 20 0 CFADRP Cc1cc(F)ncc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243218 778429317 /nfs/dbraw/zinc/42/93/17/778429317.db2.gz WMYDWTLGMFBLQA-INIZCTEOSA-N 2 0 291.414 2.883 20 0 CFADRP c1cc2ccc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)nc2[nH]1 ZINC001235242628 778429422 /nfs/dbraw/zinc/42/94/22/778429422.db2.gz SQRMJBFOXYMOQY-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP COc1cc(C)c(C)cc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248133 778430468 /nfs/dbraw/zinc/43/04/68/778430468.db2.gz ODRFEBIUYTVBNN-NVXWUHKLSA-N 2 0 274.408 2.625 20 0 CFADRP COc1ccccc1C[N@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168322417 778431360 /nfs/dbraw/zinc/43/13/60/778431360.db2.gz BDPNBAOZHOLVIM-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001168324751 778432084 /nfs/dbraw/zinc/43/20/84/778432084.db2.gz WBHXMUKWRBOQCU-WXRRBKDZSA-N 2 0 258.356 2.590 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001168324667 778432163 /nfs/dbraw/zinc/43/21/63/778432163.db2.gz UGOILVPMFVXSKU-NFOMZHRRSA-N 2 0 296.455 2.523 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235263262 778437955 /nfs/dbraw/zinc/43/79/55/778437955.db2.gz TWLQUARODHHVRB-CVEARBPZSA-N 2 0 296.455 2.574 20 0 CFADRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1cc(F)cc(F)c1 ZINC001168356276 778456274 /nfs/dbraw/zinc/45/62/74/778456274.db2.gz NLPRRKXPFDGMIO-UHFFFAOYSA-N 2 0 293.361 2.754 20 0 CFADRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)nc1 ZINC001168356267 778456426 /nfs/dbraw/zinc/45/64/26/778456426.db2.gz NAZHOQZZZHQIRY-UHFFFAOYSA-N 2 0 292.814 2.524 20 0 CFADRP Cc1c(Cl)ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)c1C ZINC001235342107 778460375 /nfs/dbraw/zinc/46/03/75/778460375.db2.gz SRMZIYFLHHPZJJ-AWEZNQCLSA-N 2 0 278.827 2.998 20 0 CFADRP CCOc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)ccc1C ZINC001235340600 778460757 /nfs/dbraw/zinc/46/07/57/778460757.db2.gz ROKCIJOIPOCITQ-UHFFFAOYSA-N 2 0 288.435 2.825 20 0 CFADRP CN(Cc1cccc(-c2ccccn2)c1)[C@@H]1CCC[NH2+]C1 ZINC001235347461 778463770 /nfs/dbraw/zinc/46/37/70/778463770.db2.gz ORCCQDIRTORSCI-QGZVFWFLSA-N 2 0 281.403 2.932 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235366691 778470705 /nfs/dbraw/zinc/47/07/05/778470705.db2.gz FPNHVASTKAACJN-WNRNVDISSA-N 2 0 292.467 2.822 20 0 CFADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235366700 778470934 /nfs/dbraw/zinc/47/09/34/778470934.db2.gz FPNHVASTKAACJN-XMTFNYHQSA-N 2 0 292.467 2.822 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235366682 778471145 /nfs/dbraw/zinc/47/11/45/778471145.db2.gz FPNHVASTKAACJN-BSDSXHPESA-N 2 0 292.467 2.822 20 0 CFADRP [NH3+][C@H]1CCN(C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC001168359578 778473848 /nfs/dbraw/zinc/47/38/48/778473848.db2.gz BYYUWJRKCMZKKE-KRWDZBQOSA-N 2 0 285.435 2.771 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400008 778475559 /nfs/dbraw/zinc/47/55/59/778475559.db2.gz BODJQNNKODERDX-IRXDYDNUSA-N 2 0 276.399 2.561 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000721255498 778475553 /nfs/dbraw/zinc/47/55/53/778475553.db2.gz RSAAIRUUJSZRTQ-OWCLPIDISA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235405426 778478849 /nfs/dbraw/zinc/47/88/49/778478849.db2.gz OSPLGMTWTFQPDI-IAGOWNOFSA-N 2 0 276.399 2.827 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235407323 778479583 /nfs/dbraw/zinc/47/95/83/778479583.db2.gz RGAHVHHYHZPKAF-DLBZAZTESA-N 2 0 276.399 2.773 20 0 CFADRP Fc1ccccc1CCC[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235408449 778479840 /nfs/dbraw/zinc/47/98/40/778479840.db2.gz VGILLABXRUNPTE-IRXDYDNUSA-N 2 0 294.389 2.782 20 0 CFADRP Cc1ccc(O)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422846 778485379 /nfs/dbraw/zinc/48/53/79/778485379.db2.gz DPWONSYGTPPIBN-HOTGVXAUSA-N 2 0 288.435 2.912 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1cccc(Br)c1 ZINC001235435218 778485395 /nfs/dbraw/zinc/48/53/95/778485395.db2.gz CQNSGYYFLGPDFT-UHFFFAOYSA-N 2 0 285.229 2.662 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC001235430020 778486887 /nfs/dbraw/zinc/48/68/87/778486887.db2.gz VYGTWODCDBIKHK-IRXDYDNUSA-N 2 0 288.435 2.912 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC001235430018 778487303 /nfs/dbraw/zinc/48/73/03/778487303.db2.gz VYGTWODCDBIKHK-DLBZAZTESA-N 2 0 288.435 2.912 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697877380 778491167 /nfs/dbraw/zinc/49/11/67/778491167.db2.gz HTMLUUVFGMSTBA-CHWSQXEVSA-N 2 0 252.377 2.687 20 0 CFADRP FC1(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001235663339 778530681 /nfs/dbraw/zinc/53/06/81/778530681.db2.gz GAULGUCUNVEGEY-MRXNPFEDSA-N 2 0 276.399 2.958 20 0 CFADRP Cc1ccccc1O[C@@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001235675199 778532422 /nfs/dbraw/zinc/53/24/22/778532422.db2.gz QEDHEIJWQVCIRU-MRXNPFEDSA-N 2 0 288.435 2.838 20 0 CFADRP CCc1cccc(C)c1C[NH+]1CCC(C[NH2+]C)CC1 ZINC001235679751 778533883 /nfs/dbraw/zinc/53/38/83/778533883.db2.gz NGVCFIIWPKDKLC-UHFFFAOYSA-N 2 0 260.425 2.989 20 0 CFADRP CC[C@@H]([NH3+])CN1CCC[C@H](Oc2ccccc2C)C1 ZINC001235690935 778538032 /nfs/dbraw/zinc/53/80/32/778538032.db2.gz IIAIHXGGOOPNNW-CABCVRRESA-N 2 0 262.397 2.576 20 0 CFADRP CCCCCC[NH+]1CCN(CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235690728 778538537 /nfs/dbraw/zinc/53/85/37/778538537.db2.gz CGGPONXFOZCORG-QGZVFWFLSA-N 2 0 281.488 2.717 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235714378 778545417 /nfs/dbraw/zinc/54/54/17/778545417.db2.gz VZAGNIWZBCOWGV-UHFFFAOYSA-N 2 0 258.409 2.743 20 0 CFADRP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)CC(C)(C)C ZINC001235714140 778545440 /nfs/dbraw/zinc/54/54/40/778545440.db2.gz HMGVLWMDJAXNQP-UHFFFAOYSA-N 2 0 275.440 2.574 20 0 CFADRP COc1cccc(C)c1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717488 778546894 /nfs/dbraw/zinc/54/68/94/778546894.db2.gz GSIYKCYJDNTITJ-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]3CCCC[C@H]32)CO1 ZINC001235865356 778584916 /nfs/dbraw/zinc/58/49/16/778584916.db2.gz CPWKSAMMBCFEPZ-QLFBSQMISA-N 2 0 266.429 2.756 20 0 CFADRP COC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)[C@H]1C ZINC001235892477 778593789 /nfs/dbraw/zinc/59/37/89/778593789.db2.gz RKIVMMBQJZIMCH-HOCLYGCPSA-N 2 0 296.455 2.572 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1CCc1ccc(Br)cc1 ZINC001235925609 778612444 /nfs/dbraw/zinc/61/24/44/778612444.db2.gz XITDKQZFFJXLSZ-AWEZNQCLSA-N 2 0 297.240 2.805 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235934696 778616327 /nfs/dbraw/zinc/61/63/27/778616327.db2.gz CSQOEWZRIOGBJA-WBVHZDCISA-N 2 0 281.403 2.519 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC001235935894 778616467 /nfs/dbraw/zinc/61/64/67/778616467.db2.gz FLEWLSILDDYUTM-SJORKVTESA-N 2 0 288.435 2.824 20 0 CFADRP COCCC[N@H+](Cc1cc(C)cc(C)c1)C1CC[NH2+]CC1 ZINC001235937399 778617581 /nfs/dbraw/zinc/61/75/81/778617581.db2.gz LRTVNVVEBKILKV-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)s1 ZINC001235940315 778619266 /nfs/dbraw/zinc/61/92/66/778619266.db2.gz SFQQFGBKPAHDGG-STQMWFEESA-N 2 0 264.438 2.742 20 0 CFADRP Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235942064 778619396 /nfs/dbraw/zinc/61/93/96/778619396.db2.gz XWTQYFLLDJUTFK-UONOGXRCSA-N 2 0 264.800 2.690 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235940253 778619408 /nfs/dbraw/zinc/61/94/08/778619408.db2.gz RSAARBYDFZCUPZ-SJORKVTESA-N 2 0 288.435 2.763 20 0 CFADRP COCC[N@H+](C[C@@H]1CCC(C)=C[C@H]1C)C1CC[NH2+]CC1 ZINC001235945316 778620220 /nfs/dbraw/zinc/62/02/20/778620220.db2.gz FKRMIXWHINJVRM-CVEARBPZSA-N 2 0 280.456 2.679 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2c(c1)CCCC2 ZINC001235943847 778620324 /nfs/dbraw/zinc/62/03/24/778620324.db2.gz ZGMLFRMWUCUWOS-DOTOQJQBSA-N 2 0 270.420 2.607 20 0 CFADRP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C[C@@H]1CC1(C)C ZINC001235958050 778626750 /nfs/dbraw/zinc/62/67/50/778626750.db2.gz DNRAWRNZYBGIQY-INIZCTEOSA-N 2 0 287.451 2.574 20 0 CFADRP CCc1cccc(C)c1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235958124 778627475 /nfs/dbraw/zinc/62/74/75/778627475.db2.gz WGPHTQCJLQBSOC-HNNXBMFYSA-N 2 0 260.425 2.989 20 0 CFADRP CC(C)[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)c1ccccc1 ZINC001235961540 778629935 /nfs/dbraw/zinc/62/99/35/778629935.db2.gz BVMZFISNJCOMAX-MRXNPFEDSA-N 2 0 288.435 2.969 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981652 778638309 /nfs/dbraw/zinc/63/83/09/778638309.db2.gz WXDOVTHLZGSQKJ-NVXWUHKLSA-N 2 0 296.455 2.703 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4CC[C@@]4([NH3+])C3)cc21 ZINC001235998631 778648893 /nfs/dbraw/zinc/64/88/93/778648893.db2.gz YFMRIRXQFXXXRF-QFBILLFUSA-N 2 0 297.446 2.611 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236004796 778651218 /nfs/dbraw/zinc/65/12/18/778651218.db2.gz FUUXPRYEZALXAI-NDLGOLERSA-N 2 0 294.442 2.672 20 0 CFADRP CCc1cccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236009080 778653202 /nfs/dbraw/zinc/65/32/02/778653202.db2.gz LCPBCUYPJCPBDJ-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP [NH3+][C@@]12C[C@@H]1CN(Cc1cccc(-c3ccccc3)c1)C2 ZINC001236027591 778658876 /nfs/dbraw/zinc/65/88/76/778658876.db2.gz KVBZYVLSDKECFE-QZTJIDSGSA-N 2 0 264.372 2.887 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236074098 778680941 /nfs/dbraw/zinc/68/09/41/778680941.db2.gz UGMJWFDRPYNXID-AEFFLSMTSA-N 2 0 293.499 2.866 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236072191 778681562 /nfs/dbraw/zinc/68/15/62/778681562.db2.gz PHLRFWXSXLKOQI-YOEHRIQHSA-N 2 0 258.409 2.965 20 0 CFADRP c1cc(C[NH+]2CC3CCC(CC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001236088990 778686739 /nfs/dbraw/zinc/68/67/39/778686739.db2.gz LMVWHACOOJZKCA-UHFFFAOYSA-N 2 0 299.462 2.718 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236111131 778698467 /nfs/dbraw/zinc/69/84/67/778698467.db2.gz IPDGSNFUYWIESH-GOSISDBHSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H]1CCCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373865 778702737 /nfs/dbraw/zinc/70/27/37/778702737.db2.gz WDTPPMQMDFWXLD-CQSZACIVSA-N 2 0 250.430 2.983 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH+]2CCC(OC3CCC3)CC2)CC1 ZINC001168374125 778706722 /nfs/dbraw/zinc/70/67/22/778706722.db2.gz WMBNIAKVTOSNPQ-UHFFFAOYSA-N 2 0 292.467 2.894 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)C2(CC2)C1 ZINC001236153009 778720335 /nfs/dbraw/zinc/72/03/35/778720335.db2.gz GYVFOAOYZSISFG-ZDUSSCGKSA-N 2 0 256.393 2.707 20 0 CFADRP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC001236190807 778731453 /nfs/dbraw/zinc/73/14/53/778731453.db2.gz YFTKSEPNUITDTA-SUMWQHHRSA-N 2 0 269.392 2.914 20 0 CFADRP C[C@H]([NH3+])CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236211432 778737989 /nfs/dbraw/zinc/73/79/89/778737989.db2.gz IEAKZUCPCCIYAB-ZDUSSCGKSA-N 2 0 295.858 2.583 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCC[NH3+] ZINC001236238058 778748209 /nfs/dbraw/zinc/74/82/09/778748209.db2.gz YASARZVTMOVBHQ-ZNMIVQPWSA-N 2 0 296.455 2.700 20 0 CFADRP COC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001168388989 778769795 /nfs/dbraw/zinc/76/97/95/778769795.db2.gz IAMWKSWHQNIJAM-SJPCQFCGSA-N 2 0 278.440 2.503 20 0 CFADRP FC1(F)C[C@]12CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168390532 778771303 /nfs/dbraw/zinc/77/13/03/778771303.db2.gz ITBXAYUPCWYKOW-AWEZNQCLSA-N 2 0 270.367 2.592 20 0 CFADRP CSc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315028 778773899 /nfs/dbraw/zinc/77/38/99/778773899.db2.gz UUJLGLBJYXZRPN-GASCZTMLSA-N 2 0 276.449 2.840 20 0 CFADRP Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc12 ZINC001236317300 778776532 /nfs/dbraw/zinc/77/65/32/778776532.db2.gz VGSUCUWORBESFM-GASCZTMLSA-N 2 0 296.414 2.977 20 0 CFADRP Cc1noc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc12 ZINC001236320868 778778161 /nfs/dbraw/zinc/77/81/61/778778161.db2.gz HGVFPPOHHOGVTE-GASCZTMLSA-N 2 0 285.391 2.568 20 0 CFADRP Nc1ccc(C2CC[NH+](CCCCCC[NH3+])CC2)cc1 ZINC001236335216 778785021 /nfs/dbraw/zinc/78/50/21/778785021.db2.gz JDZASWPZDBLJSG-UHFFFAOYSA-N 2 0 275.440 2.967 20 0 CFADRP CCCC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000032105886 778792640 /nfs/dbraw/zinc/79/26/40/778792640.db2.gz VZZJAGAFKQUNCP-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400373 778800517 /nfs/dbraw/zinc/80/05/17/778800517.db2.gz NHGXKVYDUOBLFX-CXAGYDPISA-N 2 0 276.399 2.614 20 0 CFADRP CCCOc1ccccc1CN(CC)C[C@H]1CC[NH2+]C1 ZINC001236408473 778805117 /nfs/dbraw/zinc/80/51/17/778805117.db2.gz MZZSZPXMKOQGRC-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP C[N@H+](CC1(c2ccccc2)CCCC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236414707 778808779 /nfs/dbraw/zinc/80/87/79/778808779.db2.gz RYWOPPZZZSLUFT-FVQHAEBGSA-N 2 0 270.420 2.648 20 0 CFADRP C[N@H+](CCC12CC3CC(CC(C3)C1)C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415293 778809457 /nfs/dbraw/zinc/80/94/57/778809457.db2.gz SJPPZQQHQCJEEK-KAXSRUABSA-N 2 0 274.452 2.743 20 0 CFADRP [NH3+]Cc1cccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)c1 ZINC001236433529 778827231 /nfs/dbraw/zinc/82/72/31/778827231.db2.gz JTPZQACPWDXFIX-GOSISDBHSA-N 2 0 288.435 2.926 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001236434423 778827983 /nfs/dbraw/zinc/82/79/83/778827983.db2.gz QYDSXPIUVAEIHV-MRXNPFEDSA-N 2 0 268.445 2.787 20 0 CFADRP CC[NH2+]CCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452267 778832637 /nfs/dbraw/zinc/83/26/37/778832637.db2.gz AVNFMYXOBBMVPM-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP CC(C)Nc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001236485303 778846940 /nfs/dbraw/zinc/84/69/40/778846940.db2.gz QVZBLXHDPHDOIB-UHFFFAOYSA-N 2 0 296.418 2.979 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551417 778875611 /nfs/dbraw/zinc/87/56/11/778875611.db2.gz QBVNFLKAYMUYGX-ULQDDVLXSA-N 3 0 281.488 2.604 20 0 CFADRP [NH3+]Cc1ccc(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236572082 778879965 /nfs/dbraw/zinc/87/99/65/778879965.db2.gz HXSQHSPNXMNRKN-SAABIXHNSA-N 3 0 287.451 2.770 20 0 CFADRP Nc1cccc(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236572066 778880290 /nfs/dbraw/zinc/88/02/90/778880290.db2.gz HLFDNTQRVLTVCM-CZIWCDLHSA-N 2 0 273.424 2.893 20 0 CFADRP c1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc2c1CCN2 ZINC001236606415 778892852 /nfs/dbraw/zinc/89/28/52/778892852.db2.gz UUYXZARWTCGQAQ-HNNXBMFYSA-N 2 0 285.435 2.619 20 0 CFADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC001236623409 778896947 /nfs/dbraw/zinc/89/69/47/778896947.db2.gz UDVNYHSXOMVXQN-XYJFISCASA-N 2 0 288.435 2.838 20 0 CFADRP C(CN([C@H]1CC[NH2+]C1)C1CCCCC1)C[NH+]1CCCCC1 ZINC001236649782 778903776 /nfs/dbraw/zinc/90/37/76/778903776.db2.gz ZNPQOZITNHBADE-SFHVURJKSA-N 2 0 293.499 2.859 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000690736601 778923709 /nfs/dbraw/zinc/92/37/09/778923709.db2.gz JGAAPDKNZSXCRK-VIFPVBQESA-N 2 0 289.242 2.681 20 0 CFADRP CC[NH+](CC)CCCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC001120574838 778926098 /nfs/dbraw/zinc/92/60/98/778926098.db2.gz QSZZLLZBKCWHBV-QGZVFWFLSA-N 2 0 278.440 2.740 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CC[NH2+]C2)CC2CCCCC2)CC1 ZINC001236756291 778928720 /nfs/dbraw/zinc/92/87/20/778928720.db2.gz UCRWBJKOEUVXNG-BZSNNMDCSA-N 3 0 293.499 2.748 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@H]2CCC[NH2+]2)CC2CCCCC2)CC1 ZINC001236755832 778928943 /nfs/dbraw/zinc/92/89/43/778928943.db2.gz QZOSTGBHEMPKHJ-KZNAEPCWSA-N 2 0 293.499 2.891 20 0 CFADRP CCC(CC)[N@H+](Cc1ccc(N)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791497 778937482 /nfs/dbraw/zinc/93/74/82/778937482.db2.gz VMLOZADPYZAEOD-KOMQPUFPSA-N 2 0 290.455 2.924 20 0 CFADRP CCCOc1cc(F)ccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236826351 778954409 /nfs/dbraw/zinc/95/44/09/778954409.db2.gz BWVDBJVJSBEWQO-VBNZEHGJSA-N 2 0 292.398 2.784 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(CC)c1O ZINC001236826919 778955345 /nfs/dbraw/zinc/95/53/45/778955345.db2.gz DBAJGWGURYDVCZ-GVDBMIGSSA-N 2 0 288.435 2.686 20 0 CFADRP CCCOc1cc(F)ccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236826348 778955539 /nfs/dbraw/zinc/95/55/39/778955539.db2.gz BWVDBJVJSBEWQO-APHBMKBZSA-N 2 0 292.398 2.784 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC001236829440 778956433 /nfs/dbraw/zinc/95/64/33/778956433.db2.gz KKBBWHCRRGDULM-UBHSHLNASA-N 2 0 264.800 2.818 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@H]12 ZINC001236827266 778956674 /nfs/dbraw/zinc/95/66/74/778956674.db2.gz DZFWVKUGTNLVPN-BPQIPLTHSA-N 2 0 270.420 2.735 20 0 CFADRP CCC[N@H+](CCCc1ccccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236830921 778957777 /nfs/dbraw/zinc/95/77/77/778957777.db2.gz PTXDREWMWABJCF-MRXNPFEDSA-N 2 0 290.451 2.949 20 0 CFADRP CCC[N@@H+](Cc1ccccc1OCC)C[C@@H]1CC[NH2+]C1 ZINC001236835388 778959170 /nfs/dbraw/zinc/95/91/70/778959170.db2.gz MSJZMOWEGFISBO-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236836193 778961157 /nfs/dbraw/zinc/96/11/57/778961157.db2.gz SRNNBDMIDYVRHZ-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP CC[C@H]([NH3+])C[N@H+](C)CC[C@H](C)CCCC(C)(C)O ZINC001236861187 778968199 /nfs/dbraw/zinc/96/81/99/778968199.db2.gz VAVOIWNIPRZOLW-KGLIPLIRSA-N 2 0 258.450 2.623 20 0 CFADRP C[NH+](C)CCN(CCCC1CCCC1)C1CC[NH2+]CC1 ZINC001236911760 778981296 /nfs/dbraw/zinc/98/12/96/778981296.db2.gz HXXHBIQUJPLSRS-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP COC(C)(C)CC[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236946410 778983874 /nfs/dbraw/zinc/98/38/74/778983874.db2.gz AJNDJWHULLXTKA-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CCC12CN(CCC[NH+](C)C)C2 ZINC001278049535 779007325 /nfs/dbraw/zinc/00/73/25/779007325.db2.gz MUKWCTWNSYCHHS-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@@H]1Cc2cccc(Br)c2C[N@@H+]1CCCC[NH3+] ZINC001237192410 779045818 /nfs/dbraw/zinc/04/58/18/779045818.db2.gz VIVDSKLXOYELSY-LLVKDONJSA-N 2 0 297.240 2.935 20 0 CFADRP Cc1ccc(CC[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001278072739 779059652 /nfs/dbraw/zinc/05/96/52/779059652.db2.gz JOIFZNBBMRMVPH-HDICACEKSA-N 2 0 272.436 2.811 20 0 CFADRP C[N@H+](CC1(C)CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC001237258930 779061205 /nfs/dbraw/zinc/06/12/05/779061205.db2.gz RIGBRCIAOATCPG-MRXNPFEDSA-N 2 0 258.409 2.995 20 0 CFADRP c1ccc2c(c1)NCCC21CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001237319136 779075462 /nfs/dbraw/zinc/07/54/62/779075462.db2.gz KYWWNYCCRYRSCK-UHFFFAOYSA-N 2 0 299.462 2.835 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC3(Cc4ccccc4N3)CC2)CC1 ZINC001237328382 779077713 /nfs/dbraw/zinc/07/77/13/779077713.db2.gz BTTCLDVWJMHKCG-UHFFFAOYSA-N 2 0 299.462 2.831 20 0 CFADRP [NH3+][C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)NCCC3)CC2 ZINC001237359016 779083917 /nfs/dbraw/zinc/08/39/17/779083917.db2.gz LWAUAJPRIABMQT-QGZVFWFLSA-N 2 0 285.435 2.748 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)OCc1ccccc1 ZINC001237384733 779089164 /nfs/dbraw/zinc/08/91/64/779089164.db2.gz XTSKWIGMFRYZCC-RYQLBKOJSA-N 2 0 288.435 2.666 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237391303 779093225 /nfs/dbraw/zinc/09/32/25/779093225.db2.gz KUADVLXKRSGGFT-WMZOPIPTSA-N 2 0 281.403 2.809 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237391302 779093974 /nfs/dbraw/zinc/09/39/74/779093974.db2.gz KUADVLXKRSGGFT-SJLPKXTDSA-N 2 0 281.403 2.809 20 0 CFADRP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237393726 779094765 /nfs/dbraw/zinc/09/47/65/779094765.db2.gz SMISZHMQAAUDKX-YOEHRIQHSA-N 2 0 274.408 2.583 20 0 CFADRP Cc1cccc2c(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c[nH]c21 ZINC001205093936 779165144 /nfs/dbraw/zinc/16/51/44/779165144.db2.gz IBZSVYYZPAUSPZ-CQSZACIVSA-N 2 0 257.381 2.790 20 0 CFADRP CCC(CC)[N@H+](CCOC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699304454 779238499 /nfs/dbraw/zinc/23/84/99/779238499.db2.gz GMWGZJQJINPQNZ-GOOCMWNKSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001205116595 779257836 /nfs/dbraw/zinc/25/78/36/779257836.db2.gz DKIXGNITRGSADK-CYBMUJFWSA-N 2 0 273.355 2.687 20 0 CFADRP CCOc1ccc(Cl)cc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135916 779304126 /nfs/dbraw/zinc/30/41/26/779304126.db2.gz GIICIDDLOZLFSA-WCQYABFASA-N 2 0 282.815 2.765 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1Cl)CC1CC[NH2+]CC1 ZINC001235433604 779353706 /nfs/dbraw/zinc/35/37/06/779353706.db2.gz JVKIRALUHOVXRX-UHFFFAOYSA-N 2 0 284.806 2.953 20 0 CFADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cnc1C1CC1 ZINC001238625651 779353922 /nfs/dbraw/zinc/35/39/22/779353922.db2.gz RYUYQOIZLULNQL-UHFFFAOYSA-N 2 0 285.435 2.795 20 0 CFADRP CC(C)(O)/C=C/c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001239159045 779464006 /nfs/dbraw/zinc/46/40/06/779464006.db2.gz ACRQOCZDUGUELS-JXMROGBWSA-N 2 0 288.435 2.641 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000721271439 779466071 /nfs/dbraw/zinc/46/60/71/779466071.db2.gz HIRZOVUYGPYMIF-GYTBAZASSA-N 2 0 268.445 2.797 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000721271442 779466858 /nfs/dbraw/zinc/46/68/58/779466858.db2.gz HIRZOVUYGPYMIF-KNIAUWFNSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc(C3([NH3+])CC3)cc2)cn1 ZINC001239208764 779472633 /nfs/dbraw/zinc/47/26/33/779472633.db2.gz VMUSJLBIZBKMJG-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP CCc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322433 779539562 /nfs/dbraw/zinc/53/95/62/779539562.db2.gz XBZAMIXPCBECEY-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP C[N@@H+](Cc1cnc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000094194900 779556833 /nfs/dbraw/zinc/55/68/33/779556833.db2.gz IBOZAYGJFHJUMD-UHFFFAOYSA-N 2 0 273.833 2.570 20 0 CFADRP CCC[N@@H+](Cc1cccc(C)c1OC)C[C@H]1CC[NH2+]C1 ZINC001236845213 779647037 /nfs/dbraw/zinc/64/70/37/779647037.db2.gz ZTLRXWXXNMVQPU-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)sc1C ZINC001237418160 779685286 /nfs/dbraw/zinc/68/52/86/779685286.db2.gz WNKWFQUXTGIULI-HIFRSBDPSA-N 2 0 264.438 2.939 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1c[nH+]ccc1N1CCOCC1 ZINC001239683601 779708557 /nfs/dbraw/zinc/70/85/57/779708557.db2.gz GOZNUXCLEYQILZ-UHFFFAOYSA-N 2 0 297.402 2.647 20 0 CFADRP CC(C)Oc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001239960091 779885064 /nfs/dbraw/zinc/88/50/64/779885064.db2.gz KWXIKRKJRMFSQB-UHFFFAOYSA-N 2 0 297.402 2.945 20 0 CFADRP CCCCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708114 779919466 /nfs/dbraw/zinc/91/94/66/779919466.db2.gz OPEWAEIAKOPEFP-UHFFFAOYSA-N 2 0 297.487 2.537 20 0 CFADRP C[C@@H](Cc1ccco1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715517920 780009440 /nfs/dbraw/zinc/00/94/40/780009440.db2.gz HTFJWKCHGAZMHU-HSBZDZAISA-N 2 0 250.386 2.673 20 0 CFADRP C[C@@H]([NH3+])c1ccccc1-c1cccc(CN2CC[NH2+]CC2)c1 ZINC001240254773 780030976 /nfs/dbraw/zinc/03/09/76/780030976.db2.gz PPPXTSKWXWOYQK-OAHLLOKOSA-N 2 0 295.430 2.779 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC001240360884 780114388 /nfs/dbraw/zinc/11/43/88/780114388.db2.gz QIRFOEIRZWFLSI-UHFFFAOYSA-N 2 0 296.418 2.677 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2nccc(C3C[NH2+]C3)n2)cc1 ZINC001240368636 780117722 /nfs/dbraw/zinc/11/77/22/780117722.db2.gz YHJWOFHFGLDUPJ-UHFFFAOYSA-N 2 0 296.418 2.719 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000715545375 780142936 /nfs/dbraw/zinc/14/29/36/780142936.db2.gz VZUUGWKBGNWSLJ-PNESKVBLSA-N 2 0 260.372 2.884 20 0 CFADRP C1=CC2(CC[NH2+]CC2)c2c1cccc2C1=CC[NH2+]CC1 ZINC001240468408 780185802 /nfs/dbraw/zinc/18/58/02/780185802.db2.gz QWLRHWJZNMNXGU-UHFFFAOYSA-N 2 0 266.388 2.711 20 0 CFADRP Cc1ccc(C[NH+]2CCCC2)cc1C1=CC[NH2+]CC1 ZINC001240470955 780187090 /nfs/dbraw/zinc/18/70/90/780187090.db2.gz UFXXVOSCAQBSCQ-UHFFFAOYSA-N 2 0 256.393 2.968 20 0 CFADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168703225 780427206 /nfs/dbraw/zinc/42/72/06/780427206.db2.gz BNXYQPUNGOFAHI-NSHDSACASA-N 2 0 266.816 2.913 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000453262330 780429468 /nfs/dbraw/zinc/42/94/68/780429468.db2.gz XVHSFJXZRVFVOZ-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3ccc(CC[NH3+])cc3)cc2)CC1 ZINC001240853999 780478043 /nfs/dbraw/zinc/47/80/43/780478043.db2.gz CTOVNJKUJURBFL-UHFFFAOYSA-N 2 0 295.430 2.607 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3ccccc3C[NH3+])cc2)CC1 ZINC001240854555 780479131 /nfs/dbraw/zinc/47/91/31/780479131.db2.gz DAAZQXBEPSFSLF-UHFFFAOYSA-N 2 0 281.403 2.564 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cncc(OC)c1 ZINC000700050989 780658004 /nfs/dbraw/zinc/65/80/04/780658004.db2.gz UGNZXSGSUXHCQM-CQSZACIVSA-N 2 0 279.428 2.690 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000700583945 780700135 /nfs/dbraw/zinc/70/01/35/780700135.db2.gz NDMIWRHPDZQMQP-LSDHHAIUSA-N 2 0 278.440 2.946 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCC2CC2)CC[C@H]1C(F)(F)F ZINC000700837874 780728378 /nfs/dbraw/zinc/72/83/78/780728378.db2.gz FRKVITQQSHRPER-NWDGAFQWSA-N 2 0 264.335 2.636 20 0 CFADRP C[N@H+]1CC=C(c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)CC1 ZINC001241320226 780780759 /nfs/dbraw/zinc/78/07/59/780780759.db2.gz XULMIWWYLVWPHR-UHFFFAOYSA-N 2 0 282.431 2.973 20 0 CFADRP C[N@H+]1CC=C(c2ccc([C@H]3CCC[NH2+]3)c(F)c2)CC1 ZINC001241330279 780784845 /nfs/dbraw/zinc/78/48/45/780784845.db2.gz NVDXVMUVTQNPRA-MRXNPFEDSA-N 2 0 260.356 2.969 20 0 CFADRP Nc1cc[nH+]cc1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001241503851 780947385 /nfs/dbraw/zinc/94/73/85/780947385.db2.gz GOVHNMLBDNZKAX-UHFFFAOYSA-N 2 0 265.360 2.783 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCC(C)(O)CC1)Cc1ccccc1 ZINC000702969205 780973791 /nfs/dbraw/zinc/97/37/91/780973791.db2.gz LZFKXDQGFOLBRT-UHFFFAOYSA-N 2 0 290.451 2.792 20 0 CFADRP C[N@@H+]1CCC=C(c2cccc3c2C2(CC3)CC[NH2+]CC2)C1 ZINC001241570256 780986365 /nfs/dbraw/zinc/98/63/65/780986365.db2.gz ZRZFKQFEBOZHGK-UHFFFAOYSA-N 2 0 282.431 2.973 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)C1 ZINC001241571243 780987541 /nfs/dbraw/zinc/98/75/41/780987541.db2.gz WPJZZSAYVNCNDW-UHFFFAOYSA-N 3 0 299.462 2.576 20 0 CFADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000703579271 781035315 /nfs/dbraw/zinc/03/53/15/781035315.db2.gz PEHBQGNSQDAYIV-ILZRDFNYSA-N 2 0 280.456 2.580 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000704770583 781115110 /nfs/dbraw/zinc/11/51/10/781115110.db2.gz JNFRREBDXNMRBT-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1cc2[nH]ccc2c(-c2cnn(C3CC[NH2+]CC3)c2)[nH+]1 ZINC001241773520 781121798 /nfs/dbraw/zinc/12/17/98/781121798.db2.gz JSFKANMMCDVMIV-UHFFFAOYSA-N 2 0 281.363 2.659 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)C12CCC2 ZINC000705800755 781146050 /nfs/dbraw/zinc/14/60/50/781146050.db2.gz IELICWCRHKPIKN-ZIAGYGMSSA-N 2 0 264.800 2.742 20 0 CFADRP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC001118057608 781176886 /nfs/dbraw/zinc/17/68/86/781176886.db2.gz FDILVLMCGSVQMC-QWHCGFSZSA-N 2 0 250.386 2.652 20 0 CFADRP COc1ccc(-c2ccc(C[NH3+])cc2)c(C[NH+](C)C)c1 ZINC001241915798 781178943 /nfs/dbraw/zinc/17/89/43/781178943.db2.gz APMPHWPLDITPDP-UHFFFAOYSA-N 2 0 270.376 2.883 20 0 CFADRP C[N@@H+]1CCc2c(F)cc(-c3ccc(C[NH3+])cc3)cc2C1 ZINC001241916797 781180144 /nfs/dbraw/zinc/18/01/44/781180144.db2.gz AGNCBSSMAWZMJW-UHFFFAOYSA-N 2 0 270.351 2.939 20 0 CFADRP Nc1[nH+]ccn1-c1cccc(-c2ccc(C[NH3+])cc2)c1 ZINC001241917993 781180615 /nfs/dbraw/zinc/18/06/15/781180615.db2.gz OOVLLAAQKMMVEY-UHFFFAOYSA-N 2 0 264.332 2.580 20 0 CFADRP [NH3+]Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC001241918389 781180904 /nfs/dbraw/zinc/18/09/04/781180904.db2.gz SUUJZUSVUYOFGX-UHFFFAOYSA-N 3 0 295.430 2.735 20 0 CFADRP CC(C)[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCS1 ZINC000707280966 781243810 /nfs/dbraw/zinc/24/38/10/781243810.db2.gz ARPFGEAAEWQEEY-OAHLLOKOSA-N 2 0 296.505 2.967 20 0 CFADRP Nc1cc[nH+]c(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001242116868 781288149 /nfs/dbraw/zinc/28/81/49/781288149.db2.gz QRERAUQTCHYIHW-UHFFFAOYSA-N 2 0 253.349 2.927 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000709642926 781294957 /nfs/dbraw/zinc/29/49/57/781294957.db2.gz NSVWTNBXWVXMQS-RYUDHWBXSA-N 2 0 264.335 2.650 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC001242151626 781302731 /nfs/dbraw/zinc/30/27/31/781302731.db2.gz PWGVNDXJCDEVSR-ZDUSSCGKSA-N 2 0 285.391 2.709 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCCC(F)(F)C1)[NH2+]2 ZINC000709329360 781309857 /nfs/dbraw/zinc/30/98/57/781309857.db2.gz JKYSLXBFJCUQEX-KSSYENDESA-N 2 0 258.356 2.683 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)CC[NH2+]1 ZINC000709500630 781312512 /nfs/dbraw/zinc/31/25/12/781312512.db2.gz MKFLPJBQEDBOPF-GRYCIOLGSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000709639308 781316760 /nfs/dbraw/zinc/31/67/60/781316760.db2.gz XGZMNFOSWUBARM-NEPJUHHUSA-N 2 0 264.335 2.650 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)sn1 ZINC000709839819 781318808 /nfs/dbraw/zinc/31/88/08/781318808.db2.gz YEWXUEZRCPYKOD-RRFJBIMHSA-N 2 0 279.453 2.586 20 0 CFADRP c1csc([C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000710469635 781334322 /nfs/dbraw/zinc/33/43/22/781334322.db2.gz XJWMFMWHPYMJOC-CQSZACIVSA-N 2 0 279.453 2.712 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710504306 781334495 /nfs/dbraw/zinc/33/44/95/781334495.db2.gz YSZRCTPCMPVUSG-ZDUSSCGKSA-N 2 0 267.442 2.842 20 0 CFADRP C[C@H]([NH2+]C[C@@]12C[C@@H]1CCCC2)C1CC[NH+](C)CC1 ZINC000710519273 781335141 /nfs/dbraw/zinc/33/51/41/781335141.db2.gz HYYUHGGPCJYFTF-CWRNSKLLSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccnc(Cl)c1 ZINC000710761904 781338676 /nfs/dbraw/zinc/33/86/76/781338676.db2.gz XTELABRNUJUKJW-UHFFFAOYSA-N 2 0 255.793 2.686 20 0 CFADRP Cc1cccc(OCC[N@H+](C)CCCCCC[NH3+])c1 ZINC000710803584 781339997 /nfs/dbraw/zinc/33/99/97/781339997.db2.gz HNPCOJCRSWSTKB-UHFFFAOYSA-N 2 0 264.413 2.825 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)COc2ccccc2)CC1 ZINC000710968555 781349753 /nfs/dbraw/zinc/34/97/53/781349753.db2.gz DHWZLEZWKJIOAN-HNNXBMFYSA-N 2 0 276.424 2.916 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)OC1 ZINC000711338444 781413293 /nfs/dbraw/zinc/41/32/93/781413293.db2.gz BJAGFNYCEDEZID-DAXOMENPSA-N 2 0 274.408 2.926 20 0 CFADRP COC(=O)C1(C)CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001168762327 781416071 /nfs/dbraw/zinc/41/60/71/781416071.db2.gz RGTDGQVKGADCFN-KRIMKBQASA-N 2 0 296.455 2.571 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001118180537 781460922 /nfs/dbraw/zinc/46/09/22/781460922.db2.gz KDQKZHVJYDKIPO-LBPRGKRZSA-N 2 0 268.351 2.568 20 0 CFADRP C(C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000711928610 781489104 /nfs/dbraw/zinc/48/91/04/781489104.db2.gz ZQLYQEZEDHBZLK-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CCOc1ccc(C)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205058946 781564806 /nfs/dbraw/zinc/56/48/06/781564806.db2.gz ZIYQZCMEKOLCHK-UHFFFAOYSA-N 2 0 262.397 2.564 20 0 CFADRP Cc1oncc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001242602959 781632789 /nfs/dbraw/zinc/63/27/89/781632789.db2.gz QGLLDYUOLDUAHH-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP [NH3+]C1(c2cccc(-c3ccc4c(c3)C[NH2+]C4)c2)CC1 ZINC001242675634 781691707 /nfs/dbraw/zinc/69/17/07/781691707.db2.gz HKIBWCOJTKFUHY-UHFFFAOYSA-N 2 0 250.345 2.905 20 0 CFADRP c1nc2c(cc1C1=CC[C@@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC001242692778 781699944 /nfs/dbraw/zinc/69/99/44/781699944.db2.gz NHMAJGVYHXRYAZ-QGZVFWFLSA-N 2 0 283.419 2.759 20 0 CFADRP C[C@@H]([NH3+])c1ccccc1-c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242732495 781728540 /nfs/dbraw/zinc/72/85/40/781728540.db2.gz GCBIUQTUIQPKBH-CYBMUJFWSA-N 2 0 284.407 2.837 20 0 CFADRP Cc1ccc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]c1C ZINC001165246820 781746550 /nfs/dbraw/zinc/74/65/50/781746550.db2.gz QQNNHXBKLLSOLO-UHFFFAOYSA-N 2 0 259.397 2.811 20 0 CFADRP COC(=O)C1(C)CCC([NH2+]CCCCCCC[NH3+])CC1 ZINC001168765393 781849130 /nfs/dbraw/zinc/84/91/30/781849130.db2.gz WPDFSPVHJJDSDM-UHFFFAOYSA-N 2 0 284.444 2.607 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccccc2CN2CC[C@H]([NH3+])C2)cc1 ZINC001242994429 781908496 /nfs/dbraw/zinc/90/84/96/781908496.db2.gz XFDPSDSUENXGRQ-SFHVURJKSA-N 2 0 295.430 2.606 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@H](C)SC2)CC[NH+](C)CC1 ZINC000594525796 349441818 /nfs/dbraw/zinc/44/18/18/349441818.db2.gz ZXRLIAKZDRQFOT-QWHCGFSZSA-N 2 0 288.526 2.688 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000124411668 187136617 /nfs/dbraw/zinc/13/66/17/187136617.db2.gz UQUXGWAXLGLXBF-CKEIUWERSA-N 2 0 276.424 2.651 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC(=O)OC(C)C)C(C)C)CC1 ZINC000594621832 349464827 /nfs/dbraw/zinc/46/48/27/349464827.db2.gz BEMADCCGXYMHLS-MRXNPFEDSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)Oc1cccc(F)c1 ZINC000124483622 187139421 /nfs/dbraw/zinc/13/94/21/187139421.db2.gz RFWUHHVRQDYWJY-GZBFAFLISA-N 2 0 280.387 2.665 20 0 CFADRP C[C@@H](CC[NH2+]CC1=CCCOC1)[N@H+](C)Cc1ccccc1 ZINC000127675509 187325991 /nfs/dbraw/zinc/32/59/91/187325991.db2.gz XYPGANZDYWKKIE-INIZCTEOSA-N 2 0 288.435 2.833 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000082572431 178110561 /nfs/dbraw/zinc/11/05/61/178110561.db2.gz HKQAUDQKEGKRCI-UHFFFAOYSA-N 2 0 264.800 2.916 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1C ZINC000127750833 187331051 /nfs/dbraw/zinc/33/10/51/187331051.db2.gz LWHVNCWKBVVZKF-DOMZBBRYSA-N 2 0 289.398 2.922 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273073187 192037090 /nfs/dbraw/zinc/03/70/90/192037090.db2.gz NQTSSEIGWWDRTR-HUUCEWRRSA-N 2 0 276.424 2.996 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000125045606 187167010 /nfs/dbraw/zinc/16/70/10/187167010.db2.gz WBZSOHYTFDKPLV-KFWWJZLASA-N 2 0 292.423 2.535 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000594975929 349536758 /nfs/dbraw/zinc/53/67/58/349536758.db2.gz XKRKPUHKIYRLKP-KBPBESRZSA-N 2 0 268.470 2.736 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595011711 349549381 /nfs/dbraw/zinc/54/93/81/349549381.db2.gz LHRFAHHXUSJSRJ-KGLIPLIRSA-N 2 0 276.465 2.788 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595016199 349551403 /nfs/dbraw/zinc/55/14/03/349551403.db2.gz IGJSDUXMCTUFSX-CABCVRRESA-N 2 0 298.471 2.676 20 0 CFADRP C[C@H](CSCCF)[NH2+]CCC[NH+]1CCCCC1 ZINC000595003154 349544177 /nfs/dbraw/zinc/54/41/77/349544177.db2.gz FIHFYYDSXOAVDL-CYBMUJFWSA-N 2 0 262.438 2.543 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000595099630 349581623 /nfs/dbraw/zinc/58/16/23/349581623.db2.gz MPNDAYJAPHWMAC-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125382948 187182782 /nfs/dbraw/zinc/18/27/82/187182782.db2.gz XEOHTYRFHQOKDZ-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000113501562 290631433 /nfs/dbraw/zinc/63/14/33/290631433.db2.gz UUDIMNMCPMGPDM-IRXDYDNUSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403336344 290027146 /nfs/dbraw/zinc/02/71/46/290027146.db2.gz SEMCLQHHGGLOGH-QLFBSQMISA-N 2 0 250.430 2.885 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000070202151 346907980 /nfs/dbraw/zinc/90/79/80/346907980.db2.gz PMDNVVKJGIPFOQ-UHFFFAOYSA-N 2 0 277.412 2.596 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414838284 529568088 /nfs/dbraw/zinc/56/80/88/529568088.db2.gz LGIUDPVDNUFGBK-AWEZNQCLSA-N 2 0 276.424 2.737 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000420362457 529605621 /nfs/dbraw/zinc/60/56/21/529605621.db2.gz ARUONQUEIBYCOF-BBRMVZONSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423261428 529605903 /nfs/dbraw/zinc/60/59/03/529605903.db2.gz SHGBFURMNIHBOH-JSGCOSHPSA-N 2 0 265.376 2.651 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423261429 529606488 /nfs/dbraw/zinc/60/64/88/529606488.db2.gz SHGBFURMNIHBOH-OCCSQVGLSA-N 2 0 265.376 2.651 20 0 CFADRP CC[C@H]([NH2+]CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423187581 529597139 /nfs/dbraw/zinc/59/71/39/529597139.db2.gz KWKNUPHCGRSZBH-LBPRGKRZSA-N 2 0 276.302 2.975 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423177201 529597605 /nfs/dbraw/zinc/59/76/05/529597605.db2.gz IITDIDOAQSLNPG-INIZCTEOSA-N 2 0 295.858 2.676 20 0 CFADRP CC[C@H]([NH2+]CCCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422894220 529599182 /nfs/dbraw/zinc/59/91/82/529599182.db2.gz BQTMUUMNFIONAZ-IRXDYDNUSA-N 2 0 292.423 2.584 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423216977 529621072 /nfs/dbraw/zinc/62/10/72/529621072.db2.gz SUZFNRKCBBQFQA-BBRMVZONSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423214882 529621127 /nfs/dbraw/zinc/62/11/27/529621127.db2.gz PVFYLWPGRJHBMV-BBRMVZONSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423142886 529622485 /nfs/dbraw/zinc/62/24/85/529622485.db2.gz BNTHNXOFDBALTO-QEJZJMRPSA-N 2 0 276.449 2.996 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422753500 529629863 /nfs/dbraw/zinc/62/98/63/529629863.db2.gz IKYIZXARCKMXCF-WMLDXEAASA-N 2 0 260.425 2.769 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423502692 529617599 /nfs/dbraw/zinc/61/75/99/529617599.db2.gz MFYYWWJRTGDPHN-OTWHNJEPSA-N 2 0 295.430 2.983 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422951510 529657583 /nfs/dbraw/zinc/65/75/83/529657583.db2.gz YVGGZHGPBKTBBM-QLFBSQMISA-N 2 0 290.407 2.626 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126630910 187252703 /nfs/dbraw/zinc/25/27/03/187252703.db2.gz VLCMMBIQHPYSFB-KBRIMQKVSA-N 2 0 274.408 2.540 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000423041351 282247316 /nfs/dbraw/zinc/24/73/16/282247316.db2.gz IXHLVHKYIIJVCO-SIXLDLHFSA-N 2 0 282.472 2.948 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCO1 ZINC000423043293 282243904 /nfs/dbraw/zinc/24/39/04/282243904.db2.gz OEXKZQUNNYLHGW-QEJZJMRPSA-N 2 0 256.434 2.687 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000422737326 282247948 /nfs/dbraw/zinc/24/79/48/282247948.db2.gz XIEVRQBGXCZVHL-DJIMGWMZSA-N 2 0 293.430 2.536 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CC23CCC(CC2)C3)CC1 ZINC000450852555 282255653 /nfs/dbraw/zinc/25/56/53/282255653.db2.gz GGGGOMYMXWLBRD-PCKAHOCUSA-N 2 0 250.430 2.983 20 0 CFADRP CCc1ccc([C@@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422732487 529708856 /nfs/dbraw/zinc/70/88/56/529708856.db2.gz OORKMUZSBWYTAR-ZTFGCOKTSA-N 2 0 289.467 2.582 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414788813 529736157 /nfs/dbraw/zinc/73/61/57/529736157.db2.gz XJDHFZLUKSFQTC-CHWSQXEVSA-N 2 0 279.453 2.527 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000295032782 199310600 /nfs/dbraw/zinc/31/06/00/199310600.db2.gz OBDNBXGHSOOZPI-HZPDHXFCSA-N 2 0 273.424 2.539 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000119001823 539341099 /nfs/dbraw/zinc/34/10/99/539341099.db2.gz KWDXJGHGWDPXBY-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H]2CCC[C@H]21 ZINC000414347373 529806964 /nfs/dbraw/zinc/80/69/64/529806964.db2.gz NFFJSBGDGLWLEV-UXXRCYHCSA-N 2 0 260.381 2.598 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128071660 187349188 /nfs/dbraw/zinc/34/91/88/187349188.db2.gz MODWSSHKGHMYJX-DLBZAZTESA-N 2 0 276.399 2.893 20 0 CFADRP C[N@H+](CCC[NH3+])CC1(c2ccc(Br)cc2)CC1 ZINC000414747222 529886026 /nfs/dbraw/zinc/88/60/26/529886026.db2.gz TZYQTAXEWBVPHF-UHFFFAOYSA-N 2 0 297.240 2.761 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000422751094 529891761 /nfs/dbraw/zinc/89/17/61/529891761.db2.gz CEOUWYRATJKULZ-DLBZAZTESA-N 2 0 275.440 2.763 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1F ZINC000422717703 529891905 /nfs/dbraw/zinc/89/19/05/529891905.db2.gz OYRBWKNOQAYBGK-JKSUJKDBSA-N 2 0 293.430 2.902 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423072218 282309933 /nfs/dbraw/zinc/30/99/33/282309933.db2.gz PKMXVGJYCPFIAX-HUUCEWRRSA-N 2 0 270.461 2.828 20 0 CFADRP C[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCS1 ZINC000120407162 539384734 /nfs/dbraw/zinc/38/47/34/539384734.db2.gz NPXGVQCMERXIKG-HNNXBMFYSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1F ZINC000128229849 187358305 /nfs/dbraw/zinc/35/83/05/187358305.db2.gz DNARQDKEBVMPKR-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348114182 539386569 /nfs/dbraw/zinc/38/65/69/539386569.db2.gz GGRHXMKZLJOGRS-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414853813 290718404 /nfs/dbraw/zinc/71/84/04/290718404.db2.gz TXXOYRIICJFDOU-HBNTYKKESA-N 2 0 252.324 2.553 20 0 CFADRP C[NH2+]CCC[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414861617 529970925 /nfs/dbraw/zinc/97/09/25/529970925.db2.gz SHLYXNBTNBFJCG-LLVKDONJSA-N 2 0 285.229 2.752 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414858282 529971184 /nfs/dbraw/zinc/97/11/84/529971184.db2.gz ISADITFSPQALSI-NSHDSACASA-N 2 0 285.229 2.579 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423185964 529971241 /nfs/dbraw/zinc/97/12/41/529971241.db2.gz KIGZQKJKWKNIBT-JTQLQIEISA-N 2 0 271.202 2.709 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414861233 529971261 /nfs/dbraw/zinc/97/12/61/529971261.db2.gz RPVNXHRLXXSOMB-LBPRGKRZSA-N 2 0 286.366 2.808 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661794 529988380 /nfs/dbraw/zinc/98/83/80/529988380.db2.gz XZKMMHUWSQUGGQ-XIRDDKMYSA-N 2 0 258.409 2.722 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414846273 529985146 /nfs/dbraw/zinc/98/51/46/529985146.db2.gz UNTUQSAJSPLPPC-SECBINFHSA-N 2 0 278.293 2.790 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423283147 529985942 /nfs/dbraw/zinc/98/59/42/529985942.db2.gz XINQIBMLXQVQAW-QMTHXVAHSA-N 2 0 252.789 2.772 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414848406 529985991 /nfs/dbraw/zinc/98/59/91/529985991.db2.gz WXKGODXMTQCBSW-VXGBXAGGSA-N 2 0 254.805 2.716 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000423276679 529986014 /nfs/dbraw/zinc/98/60/14/529986014.db2.gz ORWILXNFBANBRV-DGCLKSJQSA-N 2 0 250.411 2.669 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]CCCc1c(F)cccc1Cl ZINC000414839613 529998655 /nfs/dbraw/zinc/99/86/55/529998655.db2.gz LORJABFYLBNYHJ-NSHDSACASA-N 2 0 272.795 2.857 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414848043 529998979 /nfs/dbraw/zinc/99/89/79/529998979.db2.gz WQFIFKFPIQWKKX-HNNXBMFYSA-N 2 0 299.418 2.606 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000414849703 529999130 /nfs/dbraw/zinc/99/91/30/529999130.db2.gz YDMGRXVOPJYPMJ-JTQLQIEISA-N 2 0 260.303 2.651 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000423282425 529999400 /nfs/dbraw/zinc/99/94/00/529999400.db2.gz WNSVVTAFPKYVSS-BBRMVZONSA-N 2 0 282.403 2.739 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414832094 529999461 /nfs/dbraw/zinc/99/94/61/529999461.db2.gz DSJXUKUHHLCABF-VBNZEHGJSA-N 2 0 264.388 2.907 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423280615 529999525 /nfs/dbraw/zinc/99/95/25/529999525.db2.gz UXUDLWAHFPFFOS-UXLLHSPISA-N 2 0 276.424 2.599 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)c2ccccc2C[NH+](C)C)c1 ZINC000422747109 530009329 /nfs/dbraw/zinc/00/93/29/530009329.db2.gz XXPDLONCWRMGTN-UHFFFAOYSA-N 2 0 297.402 2.720 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121286689 539402978 /nfs/dbraw/zinc/40/29/78/539402978.db2.gz WLGCMCYCIIEVIS-INIZCTEOSA-N 2 0 280.362 2.884 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2ccccc2CC1 ZINC000089428194 539459586 /nfs/dbraw/zinc/45/95/86/539459586.db2.gz FQHRXJPEUMQUBA-QGZVFWFLSA-N 2 0 258.409 2.572 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCC1 ZINC000348428119 539466156 /nfs/dbraw/zinc/46/61/56/539466156.db2.gz XVLIVIYKCFCZSN-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H](C[NH2+]Cc1cnc2ccc(C)cn12)OC ZINC000295118728 199354516 /nfs/dbraw/zinc/35/45/16/199354516.db2.gz MTJKTABAWRSFKZ-CQSZACIVSA-N 2 0 261.369 2.547 20 0 CFADRP CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000123994652 539513505 /nfs/dbraw/zinc/51/35/05/539513505.db2.gz PGNHDQNBLSWTCV-KRWDZBQOSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H]1C[NH+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C)S1 ZINC000123984326 539514168 /nfs/dbraw/zinc/51/41/68/539514168.db2.gz SLHCPLWPFXZIIM-STQMWFEESA-N 2 0 276.449 2.658 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCC12CCCC2 ZINC000668475985 539519435 /nfs/dbraw/zinc/51/94/35/539519435.db2.gz UIIRACHCZVWSCA-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H](CCCO)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090188872 539527553 /nfs/dbraw/zinc/52/75/53/539527553.db2.gz QWEYRRYHTCGRAH-RDJZCZTQSA-N 2 0 290.451 2.790 20 0 CFADRP C[C@@H](CCO)C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090187948 539527672 /nfs/dbraw/zinc/52/76/72/539527672.db2.gz LYHOKGRSJNKRDV-DOTOQJQBSA-N 2 0 290.451 2.648 20 0 CFADRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000178913080 232391975 /nfs/dbraw/zinc/39/19/75/232391975.db2.gz SQPQTLPAOYLVEL-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC[C@H]2CCCCO2)CC1 ZINC000020907982 346244961 /nfs/dbraw/zinc/24/49/61/346244961.db2.gz DZNJZELEMRIFSR-MRXNPFEDSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1OC ZINC000423543557 282457527 /nfs/dbraw/zinc/45/75/27/282457527.db2.gz NDCDJZPGRSKRJY-OXGONZEZSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1C ZINC000044529176 346394738 /nfs/dbraw/zinc/39/47/38/346394738.db2.gz NIZGBGQMHYIESD-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000596655738 349970347 /nfs/dbraw/zinc/97/03/47/349970347.db2.gz YELQQUPQTFDIBK-BZUAXINKSA-N 2 0 298.471 2.852 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)C(C)(C)CC)CC[NH2+]CC1 ZINC000596648747 349967474 /nfs/dbraw/zinc/96/74/74/349967474.db2.gz AASWWDNNIFNLKP-UONOGXRCSA-N 2 0 298.471 2.722 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000596653266 349969242 /nfs/dbraw/zinc/96/92/42/349969242.db2.gz UVORYGFSLIIWRP-MELADBBJSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc(F)c(Cl)c1 ZINC000053157900 346539713 /nfs/dbraw/zinc/53/97/13/346539713.db2.gz BCPUJIWYUBYIRF-MWLCHTKSSA-N 2 0 256.752 2.791 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000056522676 346610963 /nfs/dbraw/zinc/61/09/63/346610963.db2.gz SFZLNOZJSPVLBQ-UHFFFAOYSA-N 2 0 264.388 2.989 20 0 CFADRP c1ccc2c(c1)CCC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000062944774 346694560 /nfs/dbraw/zinc/69/45/60/346694560.db2.gz XNRKIVUVQRPAJB-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1Cl ZINC000086595871 347488048 /nfs/dbraw/zinc/48/80/48/347488048.db2.gz BZEWSEUOPXXMAH-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCOc2ccccc2)CC[NH2+]1 ZINC000414697971 297248423 /nfs/dbraw/zinc/24/84/23/297248423.db2.gz HGRSXHUCMQVHBT-CVEARBPZSA-N 2 0 276.424 2.775 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090577980 347551488 /nfs/dbraw/zinc/55/14/88/347551488.db2.gz QELPIEPMMFFRRI-IAGOWNOFSA-N 2 0 288.435 2.844 20 0 CFADRP CCc1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)s1 ZINC000092380916 347621825 /nfs/dbraw/zinc/62/18/25/347621825.db2.gz TWVJLCZIXYEBPB-UHFFFAOYSA-N 2 0 281.469 2.869 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000094009777 347690175 /nfs/dbraw/zinc/69/01/75/347690175.db2.gz HTVNMHAJLLAZMU-SNVBAGLBSA-N 2 0 254.324 2.615 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000094010075 347690210 /nfs/dbraw/zinc/69/02/10/347690210.db2.gz YPVVUEDORLGIMT-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093211790 347665241 /nfs/dbraw/zinc/66/52/41/347665241.db2.gz DNDYDXNAPFTLTO-RDBSUJKOSA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093213314 347665287 /nfs/dbraw/zinc/66/52/87/347665287.db2.gz FRRIHKMRDIFPIG-WCFLWFBJSA-N 2 0 266.360 2.755 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093210488 347665458 /nfs/dbraw/zinc/66/54/58/347665458.db2.gz QHNGELTWUDXHSG-ROUUACIJSA-N 3 0 289.467 2.888 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000093216231 347665981 /nfs/dbraw/zinc/66/59/81/347665981.db2.gz PAXNMSDVRIHSBG-WCFLWFBJSA-N 2 0 252.427 2.847 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000093215134 347666028 /nfs/dbraw/zinc/66/60/28/347666028.db2.gz VZKSVALHQXGJGT-LSDHHAIUSA-N 2 0 267.461 2.501 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nccs1 ZINC000104355413 347725358 /nfs/dbraw/zinc/72/53/58/347725358.db2.gz INEGZNJNRUEILO-GFCCVEGCSA-N 2 0 255.431 2.743 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000124515920 347824142 /nfs/dbraw/zinc/82/41/42/347824142.db2.gz GXUTZONIHYESPQ-GXTWGEPZSA-N 2 0 282.815 2.921 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000131768588 347880941 /nfs/dbraw/zinc/88/09/41/347880941.db2.gz KLTFXVGUDSBRAZ-QWHCGFSZSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]1SCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1C ZINC000133008740 347888437 /nfs/dbraw/zinc/88/84/37/347888437.db2.gz ZNYINBAQVDGDQJ-CHWSQXEVSA-N 2 0 276.449 2.658 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1 ZINC000154422028 347979942 /nfs/dbraw/zinc/97/99/42/347979942.db2.gz PZXDXGXKYJRUAP-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000163384031 348032863 /nfs/dbraw/zinc/03/28/63/348032863.db2.gz NIUOUCJKEMQMEF-NWDGAFQWSA-N 2 0 252.427 2.727 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000163384150 348033383 /nfs/dbraw/zinc/03/33/83/348033383.db2.gz NIUOUCJKEMQMEF-VXGBXAGGSA-N 2 0 252.427 2.727 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166317113 348041112 /nfs/dbraw/zinc/04/11/12/348041112.db2.gz IRZSJXVLFZAJHH-JQHSSLGASA-N 2 0 288.435 2.838 20 0 CFADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000349132330 539605248 /nfs/dbraw/zinc/60/52/48/539605248.db2.gz RPMXRTFXNWSJFP-GFCCVEGCSA-N 2 0 288.420 2.744 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000226346070 348182503 /nfs/dbraw/zinc/18/25/03/348182503.db2.gz MYKREXBSVDUNPZ-ZJUUUORDSA-N 2 0 258.818 2.804 20 0 CFADRP CC(C)[N@H+](C)CCCNCc1ccncc1Cl ZINC000226392906 348182786 /nfs/dbraw/zinc/18/27/86/348182786.db2.gz LJMKMCBIACQMDJ-UHFFFAOYSA-N 2 0 255.793 2.555 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000226346058 348182832 /nfs/dbraw/zinc/18/28/32/348182832.db2.gz MYKREXBSVDUNPZ-NXEZZACHSA-N 2 0 258.818 2.804 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000228017287 348192627 /nfs/dbraw/zinc/19/26/27/348192627.db2.gz FMGQJYVEASNQCO-LBPRGKRZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000349688711 539612382 /nfs/dbraw/zinc/61/23/82/539612382.db2.gz BKDSSNRWTXQIMB-QGZVFWFLSA-N 2 0 294.414 2.761 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000349688710 539612506 /nfs/dbraw/zinc/61/25/06/539612506.db2.gz BKDSSNRWTXQIMB-KRWDZBQOSA-N 2 0 294.414 2.761 20 0 CFADRP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000252788909 348298289 /nfs/dbraw/zinc/29/82/89/348298289.db2.gz RGGUPTZGQNQWAJ-TUAOUCFPSA-N 2 0 264.335 2.839 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc2c1 ZINC000564453524 290209915 /nfs/dbraw/zinc/20/99/15/290209915.db2.gz OPUQGTPPSMUSSF-MNOVXSKESA-N 2 0 262.353 2.657 20 0 CFADRP Cc1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000311071188 348411849 /nfs/dbraw/zinc/41/18/49/348411849.db2.gz KDIOCOYBDOKASQ-UHFFFAOYSA-N 2 0 261.394 2.508 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000312712265 348420489 /nfs/dbraw/zinc/42/04/89/348420489.db2.gz FKVSKCLEUGNSGM-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337191 348422526 /nfs/dbraw/zinc/42/25/26/348422526.db2.gz AQNHHOFCLOLFDE-HOCLYGCPSA-N 2 0 284.403 2.950 20 0 CFADRP Cc1cc(C)c([C@@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000313376944 348422822 /nfs/dbraw/zinc/42/28/22/348422822.db2.gz DZBORBIXYNKPEG-CVEARBPZSA-N 2 0 276.424 2.722 20 0 CFADRP CCc1cnc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000130670609 539643568 /nfs/dbraw/zinc/64/35/68/539643568.db2.gz TWDLNCLZSRFRTD-LLVKDONJSA-N 2 0 267.442 2.525 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000403313771 348583879 /nfs/dbraw/zinc/58/38/79/348583879.db2.gz BUJZMCITVJBGGE-LQKXBSAESA-N 2 0 250.430 2.743 20 0 CFADRP Cc1[nH+]ccc(N[C@H](C)C2CC[NH+](C)CC2)c1Cl ZINC000396448969 348557631 /nfs/dbraw/zinc/55/76/31/348557631.db2.gz FGDQEJPBSOZOEL-SNVBAGLBSA-N 2 0 267.804 2.608 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000396444745 348558052 /nfs/dbraw/zinc/55/80/52/348558052.db2.gz CRGYTIHXBOPAOJ-KBPBESRZSA-N 2 0 271.408 2.939 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400010945 348570661 /nfs/dbraw/zinc/57/06/61/348570661.db2.gz FAYMYFRKDDWQJJ-UIEKQHFFSA-N 2 0 250.430 2.920 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000584684135 348704989 /nfs/dbraw/zinc/70/49/89/348704989.db2.gz UXDVQMKSFBUFAX-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000092327443 539676102 /nfs/dbraw/zinc/67/61/02/539676102.db2.gz RFJIOVDPTWQABJ-WDEREUQCSA-N 2 0 265.401 2.672 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000126294869 539670385 /nfs/dbraw/zinc/67/03/85/539670385.db2.gz PFSVZRWHVFJUAH-MRXNPFEDSA-N 2 0 262.372 2.744 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166642337 539672392 /nfs/dbraw/zinc/67/23/92/539672392.db2.gz FBVYCNUBNPXIKL-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP Fc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c2ncccc12 ZINC000336127040 282976753 /nfs/dbraw/zinc/97/67/53/282976753.db2.gz FOCOIGVVLPTKDH-UHFFFAOYSA-N 2 0 299.393 2.949 20 0 CFADRP c1cn([C@@H]2CCCN(Cc3nc4ccccc4o3)C2)cn1 ZINC000591082536 348985614 /nfs/dbraw/zinc/98/56/14/348985614.db2.gz HXVBNWOWUCGRET-CYBMUJFWSA-N 2 0 282.347 2.861 20 0 CFADRP Cn1ccnc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590836332 348956594 /nfs/dbraw/zinc/95/65/94/348956594.db2.gz FERFQDKRDGIOHF-KRWDZBQOSA-N 2 0 298.434 2.737 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000414111027 233169740 /nfs/dbraw/zinc/16/97/40/233169740.db2.gz IRDXKSOYPHZWII-RKVPGOIHSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C1CC[NH+](C)CC1 ZINC000127124177 539711586 /nfs/dbraw/zinc/71/15/86/539711586.db2.gz BNKXWSFIRTWPSS-GOEBONIOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc2n(n1)CCC2 ZINC000414149425 233179970 /nfs/dbraw/zinc/17/99/70/233179970.db2.gz UOYLSYLGKKIOSF-OAHLLOKOSA-N 2 0 290.455 2.746 20 0 CFADRP CC[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1[NH3+] ZINC000592427560 349118659 /nfs/dbraw/zinc/11/86/59/349118659.db2.gz CCVIKJWTQHWKCY-JKSUJKDBSA-N 2 0 278.465 2.979 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(CO)c1 ZINC000414192138 233191483 /nfs/dbraw/zinc/19/14/83/233191483.db2.gz SVERWLILFMHNHB-GJZGRUSLSA-N 2 0 276.424 2.561 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(CO)c1 ZINC000414192137 233191628 /nfs/dbraw/zinc/19/16/28/233191628.db2.gz SVERWLILFMHNHB-CABCVRRESA-N 2 0 276.424 2.561 20 0 CFADRP COc1ccnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000592809930 349168163 /nfs/dbraw/zinc/16/81/63/349168163.db2.gz KJJRMKKASPQWIV-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000459798735 535091544 /nfs/dbraw/zinc/09/15/44/535091544.db2.gz XVPZNDJWZNCEDO-HOTGVXAUSA-N 2 0 292.471 2.717 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000414284778 233214812 /nfs/dbraw/zinc/21/48/12/233214812.db2.gz KWAMKOBYABDUQQ-GASCZTMLSA-N 2 0 290.455 2.633 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739156 539741633 /nfs/dbraw/zinc/74/16/33/539741633.db2.gz JLSWSKSBBNMPRD-CGTJXYLNSA-N 2 0 292.467 2.510 20 0 CFADRP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000597239681 350069113 /nfs/dbraw/zinc/06/91/13/350069113.db2.gz MQEFQKGEJLWBPJ-WBVHZDCISA-N 2 0 296.455 2.571 20 0 CFADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000597239679 350069265 /nfs/dbraw/zinc/06/92/65/350069265.db2.gz MQEFQKGEJLWBPJ-NVXWUHKLSA-N 2 0 296.455 2.571 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090714542 180028588 /nfs/dbraw/zinc/02/85/88/180028588.db2.gz KUTBBSIJMBOVDY-DLBZAZTESA-N 2 0 274.408 2.549 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1 ZINC000668743447 539750605 /nfs/dbraw/zinc/75/06/05/539750605.db2.gz ICKOWDRYEWEZAA-FGTMMUONSA-N 2 0 288.410 2.926 20 0 CFADRP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000414502414 233274327 /nfs/dbraw/zinc/27/43/27/233274327.db2.gz UKZPEVIPQVGUJK-HUUCEWRRSA-N 2 0 291.414 2.926 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000090721604 180032357 /nfs/dbraw/zinc/03/23/57/180032357.db2.gz UGNGCWXCOSDGNI-OCCSQVGLSA-N 2 0 250.361 2.706 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000090937081 180068219 /nfs/dbraw/zinc/06/82/19/180068219.db2.gz LMXPROGRNGYGTM-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414673913 233322523 /nfs/dbraw/zinc/32/25/23/233322523.db2.gz DBGMYOFCWKLXQT-CVEARBPZSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000414675805 233322768 /nfs/dbraw/zinc/32/27/68/233322768.db2.gz RRSJKQFFRGSROB-JQFCIGGWSA-N 2 0 258.409 2.849 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414800777 233355913 /nfs/dbraw/zinc/35/59/13/233355913.db2.gz LJGDCIJEWGZCEW-INWMFGNUSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414800796 233356115 /nfs/dbraw/zinc/35/61/15/233356115.db2.gz LKVAAAXRBAPRJT-SJORKVTESA-N 2 0 288.435 2.661 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414803271 233357271 /nfs/dbraw/zinc/35/72/71/233357271.db2.gz NMLSAMMRVSCUCK-ZFWWWQNUSA-N 2 0 285.391 2.548 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000414801817 233357465 /nfs/dbraw/zinc/35/74/65/233357465.db2.gz MHEWQDBQSHDIDT-DOTOQJQBSA-N 2 0 269.392 2.842 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776747 233348682 /nfs/dbraw/zinc/34/86/82/233348682.db2.gz HPMFBLVNKMTRDE-IRXDYDNUSA-N 2 0 288.435 2.907 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000414789396 233351927 /nfs/dbraw/zinc/35/19/27/233351927.db2.gz OFVCOHDWNPXXHU-BGARFXKYSA-N 2 0 286.419 2.528 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000414802163 233358052 /nfs/dbraw/zinc/35/80/52/233358052.db2.gz KDHYUCFLZFHURM-LLVKDONJSA-N 2 0 286.366 2.936 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414803797 233359236 /nfs/dbraw/zinc/35/92/36/233359236.db2.gz OCGNNFBSQBZPEK-WMZOPIPTSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1ncsc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414808924 233360823 /nfs/dbraw/zinc/36/08/23/233360823.db2.gz LNDAPZLPWSTGOA-JTQLQIEISA-N 2 0 261.394 2.761 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])CC1CCOCC1 ZINC000414810658 233361237 /nfs/dbraw/zinc/36/12/37/233361237.db2.gz VMGRECHJQXZPGP-IMJJTQAJSA-N 2 0 268.445 2.546 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414811795 233361860 /nfs/dbraw/zinc/36/18/60/233361860.db2.gz WOAZJZBTNGGPOJ-WCBMZHEXSA-N 2 0 278.343 2.984 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000414816245 233363171 /nfs/dbraw/zinc/36/31/71/233363171.db2.gz ZPKDYIAJBCLYIT-ZDUSSCGKSA-N 2 0 298.386 2.767 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000414818474 233364607 /nfs/dbraw/zinc/36/46/07/233364607.db2.gz VVQKSRZITKHVFB-LLVKDONJSA-N 2 0 274.339 2.841 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000414818476 233364689 /nfs/dbraw/zinc/36/46/89/233364689.db2.gz VVQKSRZITKHVFB-NSHDSACASA-N 2 0 274.339 2.841 20 0 CFADRP C[C@H]([NH2+]Cc1cc(Cl)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414820839 233365304 /nfs/dbraw/zinc/36/53/04/233365304.db2.gz JZTUIZWRCHTYRH-VHSXEESVSA-N 2 0 258.818 2.879 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414825322 233367090 /nfs/dbraw/zinc/36/70/90/233367090.db2.gz HFAJNFCPOIUPQY-JTUUTPGSSA-N 2 0 288.435 2.889 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828668 233369082 /nfs/dbraw/zinc/36/90/82/233369082.db2.gz JFCYABNMSAKICC-MNOVXSKESA-N 2 0 252.324 2.697 20 0 CFADRP CCc1oc2ccccc2c1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414838605 233372514 /nfs/dbraw/zinc/37/25/14/233372514.db2.gz LILHOZXOBZJXTQ-GFCCVEGCSA-N 2 0 260.381 2.940 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414839436 233374162 /nfs/dbraw/zinc/37/41/62/233374162.db2.gz WJSGKMPTFIWCRR-OAHLLOKOSA-N 2 0 274.408 2.565 20 0 CFADRP c1cc(CCC[NH2+]CC[C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000414846223 233375753 /nfs/dbraw/zinc/37/57/53/233375753.db2.gz UJXMFHVENNNKAQ-MRXNPFEDSA-N 2 0 288.435 2.533 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000414861968 233382346 /nfs/dbraw/zinc/38/23/46/233382346.db2.gz XBHASABKTSSMBU-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCC3)CC2)C1 ZINC000414876980 233386965 /nfs/dbraw/zinc/38/69/65/233386965.db2.gz MCZJWTVQIVGPNS-ZBFHGGJFSA-N 2 0 279.472 2.501 20 0 CFADRP Cc1cc(Br)c(C[NH2+]C[C@H](C)C[NH3+])s1 ZINC000414881849 233388012 /nfs/dbraw/zinc/38/80/12/233388012.db2.gz SVAUFBQNMFZCLM-SSDOTTSWSA-N 2 0 277.231 2.503 20 0 CFADRP C[C@H](C[NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000414900167 233392479 /nfs/dbraw/zinc/39/24/79/233392479.db2.gz HUHQSJZZCCFMJF-CYBMUJFWSA-N 2 0 264.388 2.909 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(F)c3cccnc23)CCC[NH2+]C1 ZINC000414915612 233398047 /nfs/dbraw/zinc/39/80/47/233398047.db2.gz ZVIFWONLQGKKDT-QGZVFWFLSA-N 2 0 287.382 2.853 20 0 CFADRP Clc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414851636 233378641 /nfs/dbraw/zinc/37/86/41/233378641.db2.gz OONRASVLGRGOQE-LBPRGKRZSA-N 2 0 252.789 2.819 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414853558 233379545 /nfs/dbraw/zinc/37/95/45/233379545.db2.gz KZNVEDWMYWHBNC-ZIAGYGMSSA-N 2 0 264.388 2.736 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414859117 233381648 /nfs/dbraw/zinc/38/16/48/233381648.db2.gz MCUKSFGJLATXRC-CQSZACIVSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000414969140 233419703 /nfs/dbraw/zinc/41/97/03/233419703.db2.gz JBFRIDAVCGHVDT-HOCLYGCPSA-N 2 0 268.445 2.561 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043219 180311331 /nfs/dbraw/zinc/31/13/31/180311331.db2.gz XBGBHZHZBPTAJD-HIFRSBDPSA-N 2 0 264.438 2.973 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000415014198 233436724 /nfs/dbraw/zinc/43/67/24/233436724.db2.gz LNCBTYHDTJUCFZ-AWEZNQCLSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CCc2cc3ccccc3o2)CC[NH2+]1 ZINC000415088484 233463518 /nfs/dbraw/zinc/46/35/18/233463518.db2.gz MBOXXDWRBUKBPX-UONOGXRCSA-N 2 0 272.392 2.953 20 0 CFADRP COCc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1F ZINC000415085673 233462040 /nfs/dbraw/zinc/46/20/40/233462040.db2.gz SZTOQCLSUNYQRU-UHFFFAOYSA-N 2 0 280.387 2.579 20 0 CFADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600174065 350531043 /nfs/dbraw/zinc/53/10/43/350531043.db2.gz KFPJQZOXAFVRHE-JJRVBVJISA-N 2 0 296.455 2.571 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCC1 ZINC000600192622 350536073 /nfs/dbraw/zinc/53/60/73/350536073.db2.gz XLCUREJIDHVVOS-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784481 539802489 /nfs/dbraw/zinc/80/24/89/539802489.db2.gz DKDKQWBTYPWZKM-GDBMZVCRSA-N 2 0 296.480 2.722 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000110643918 186309255 /nfs/dbraw/zinc/30/92/55/186309255.db2.gz RCYQTNXTKKWWPZ-VXGBXAGGSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C(C)(C)O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309808763 539806356 /nfs/dbraw/zinc/80/63/56/539806356.db2.gz VSNWPFXVOPCINY-YQQAZPJKSA-N 2 0 290.451 2.646 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cscc2Cl)CC1 ZINC000309940380 539807814 /nfs/dbraw/zinc/80/78/14/539807814.db2.gz BLDBSOZNSMIRCT-UHFFFAOYSA-N 2 0 256.802 2.753 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1 ZINC000602291282 350859837 /nfs/dbraw/zinc/85/98/37/350859837.db2.gz JBAQSLIXSIKSSO-HNNXBMFYSA-N 2 0 276.424 2.763 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC[NH+](C)CC1 ZINC000602667191 350969137 /nfs/dbraw/zinc/96/91/37/350969137.db2.gz MVQYCNYCKXPPRZ-QLFBSQMISA-N 2 0 282.497 2.840 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602736097 351008522 /nfs/dbraw/zinc/00/85/22/351008522.db2.gz WJYGBMYKTWCITA-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)SCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878906 351056026 /nfs/dbraw/zinc/05/60/26/351056026.db2.gz UQNMBDYVSAFYQZ-UHFFFAOYSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)nc1 ZINC000271426160 191130782 /nfs/dbraw/zinc/13/07/82/191130782.db2.gz VTXIKSDKRVZXOO-NSHDSACASA-N 2 0 255.793 2.727 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000608067446 351394594 /nfs/dbraw/zinc/39/45/94/351394594.db2.gz CLNWNDSEWKLKIZ-GOEBONIOSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000611367239 351675376 /nfs/dbraw/zinc/67/53/76/351675376.db2.gz WSKLHMKJJHARTG-GJZGRUSLSA-N 2 0 296.455 2.715 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423408689 290938063 /nfs/dbraw/zinc/93/80/63/290938063.db2.gz XVJCMCWXRFUMRY-DXCHVLGVSA-N 2 0 280.456 2.844 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000122698528 187046784 /nfs/dbraw/zinc/04/67/84/187046784.db2.gz OGFNWJQYSLIZOA-ZDUSSCGKSA-N 2 0 290.455 2.866 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1 ZINC000122886870 187057566 /nfs/dbraw/zinc/05/75/66/187057566.db2.gz WTGOIICPGPVHHS-WBMJQRKESA-N 2 0 296.842 2.821 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000123573337 187099008 /nfs/dbraw/zinc/09/90/08/187099008.db2.gz YELOFSTWJOCGKU-ZDUSSCGKSA-N 2 0 258.365 2.912 20 0 CFADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000123639962 187102264 /nfs/dbraw/zinc/10/22/64/187102264.db2.gz HHNMITBOLHSUKS-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123725248 187105867 /nfs/dbraw/zinc/10/58/67/187105867.db2.gz YLFLTDYKXRTGJI-KRWDZBQOSA-N 2 0 298.434 2.649 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000292016332 198135068 /nfs/dbraw/zinc/13/50/68/198135068.db2.gz ZHTNHTLRXJYJTA-GUYJKWIASA-N 2 0 296.842 2.692 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357922 539948833 /nfs/dbraw/zinc/94/88/33/539948833.db2.gz UJTKUBINYKSONR-AWEZNQCLSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000233516061 539960088 /nfs/dbraw/zinc/96/00/88/539960088.db2.gz YBGDBLALPPTXCA-HNNXBMFYSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000152237704 188004474 /nfs/dbraw/zinc/00/44/74/188004474.db2.gz NKJYZCDQIZUZET-VYDXJSESSA-N 2 0 298.434 2.691 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000422985970 295855220 /nfs/dbraw/zinc/85/52/20/295855220.db2.gz GDGMGHQXDNFRMQ-XHDPSFHLSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000423124965 295855231 /nfs/dbraw/zinc/85/52/31/295855231.db2.gz POENIOFLVROCSE-WMLDXEAASA-N 2 0 288.435 2.798 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccccc1 ZINC000153742040 188100239 /nfs/dbraw/zinc/10/02/39/188100239.db2.gz BAOHGOUCFZQARW-INIZCTEOSA-N 2 0 264.413 2.696 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000156267360 188252396 /nfs/dbraw/zinc/25/23/96/188252396.db2.gz PPABSLUSUXIQIX-YQQAZPJKSA-N 2 0 276.424 2.692 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000234827238 539994229 /nfs/dbraw/zinc/99/42/29/539994229.db2.gz BOAPDQCMXZMKSO-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000157226169 188304252 /nfs/dbraw/zinc/30/42/52/188304252.db2.gz ZNOFHMHAEWFLMQ-UONOGXRCSA-N 2 0 276.399 2.831 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000434756594 540000831 /nfs/dbraw/zinc/00/08/31/540000831.db2.gz NMYMZZCBVUNZGH-KRWDZBQOSA-N 2 0 288.435 2.533 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1C ZINC000157962892 188350152 /nfs/dbraw/zinc/35/01/52/188350152.db2.gz OEZTXZTZWOBZHH-IAGOWNOFSA-N 2 0 289.467 2.894 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000621765950 353420680 /nfs/dbraw/zinc/42/06/80/353420680.db2.gz ISQGUWMFZBFDKS-GFCCVEGCSA-N 2 0 280.387 2.654 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000434765492 540001302 /nfs/dbraw/zinc/00/13/02/540001302.db2.gz MMRJULCLRVDPSN-JKSUJKDBSA-N 2 0 280.456 2.534 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000621776841 353422767 /nfs/dbraw/zinc/42/27/67/353422767.db2.gz XSACHTHFVFERIM-UONOGXRCSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)C1CC[NH+](C)CC1 ZINC000675737061 540004295 /nfs/dbraw/zinc/00/42/95/540004295.db2.gz XFFFGSNUGRAAAW-XJKSGUPXSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccc(F)cc1 ZINC000622003878 353463470 /nfs/dbraw/zinc/46/34/70/353463470.db2.gz GUOGEHUPQZUZJI-IVMMDQJWSA-N 2 0 262.372 2.742 20 0 CFADRP Cc1ccc(C[NH2+]CCCN(C)CC[NH+](C)C)cc1Cl ZINC000623087787 353585636 /nfs/dbraw/zinc/58/56/36/353585636.db2.gz IEHHSMFLLSYQGN-UHFFFAOYSA-N 2 0 297.874 2.622 20 0 CFADRP C/C(=C/c1ccccc1)C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087781 353586245 /nfs/dbraw/zinc/58/62/45/353586245.db2.gz HZGRNLXKQAPSEF-ICFOKQHNSA-N 2 0 289.467 2.563 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccsc2)CC1(C)C ZINC000623347528 353621281 /nfs/dbraw/zinc/62/12/81/353621281.db2.gz CTCPRQCEDPLTOA-CYBMUJFWSA-N 2 0 252.427 2.753 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)CC1(C)C ZINC000623358304 353623555 /nfs/dbraw/zinc/62/35/55/353623555.db2.gz YYOAITWYOFKCTD-MRXNPFEDSA-N 2 0 298.434 2.835 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623382413 353631620 /nfs/dbraw/zinc/63/16/20/353631620.db2.gz GCFFJACPKFRUDD-MRXNPFEDSA-N 2 0 281.488 2.713 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623425186 353640415 /nfs/dbraw/zinc/64/04/15/353640415.db2.gz UNISFBWMDCNJBL-KGLIPLIRSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nccs2)CC1(C)C ZINC000623425968 353640692 /nfs/dbraw/zinc/64/06/92/353640692.db2.gz WVUFWBVAXKHPEN-LBPRGKRZSA-N 2 0 267.442 2.538 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623425159 353641064 /nfs/dbraw/zinc/64/10/64/353641064.db2.gz SRNJPGKZJQCYCD-DZXRDFMUSA-N 2 0 294.483 2.900 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)CC1(C)C ZINC000623428180 353641800 /nfs/dbraw/zinc/64/18/00/353641800.db2.gz AWPMUEAQEMRSKX-SJORKVTESA-N 2 0 290.451 2.963 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1(C)C ZINC000623431105 353642673 /nfs/dbraw/zinc/64/26/73/353642673.db2.gz TVLVWSHHNHJZLE-BYNSBNAKSA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623437778 353644519 /nfs/dbraw/zinc/64/45/19/353644519.db2.gz YCXNLVSBTQTUDF-MRXNPFEDSA-N 2 0 283.504 2.958 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623437683 353644794 /nfs/dbraw/zinc/64/47/94/353644794.db2.gz SYGROXHRJQMYPQ-HUUCEWRRSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440794 353645911 /nfs/dbraw/zinc/64/59/11/353645911.db2.gz LHWIUWQPWREAIW-JYJNAYRXSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cn2)CC1(C)C ZINC000623447929 353647089 /nfs/dbraw/zinc/64/70/89/353647089.db2.gz GZTQXORJQXKIEL-CYBMUJFWSA-N 2 0 297.830 2.576 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)sc1C ZINC000623450893 353647918 /nfs/dbraw/zinc/64/79/18/353647918.db2.gz ALOVBMSUZAWACU-ZDUSSCGKSA-N 2 0 281.469 2.765 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623339138 353617905 /nfs/dbraw/zinc/61/79/05/353617905.db2.gz LHIOUXJVRCSQSY-HNNXBMFYSA-N 2 0 276.424 2.836 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623338502 353618067 /nfs/dbraw/zinc/61/80/67/353618067.db2.gz CKIJWGLPAQEZMR-DLBZAZTESA-N 2 0 289.467 2.752 20 0 CFADRP c1[nH]nc2cccc(C[NH2+]CCC[NH+]3CCCCC3)c12 ZINC000623342781 353618982 /nfs/dbraw/zinc/61/89/82/353618982.db2.gz NXYLGCIWPDHZPF-UHFFFAOYSA-N 2 0 272.396 2.529 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623504935 353659500 /nfs/dbraw/zinc/65/95/00/353659500.db2.gz GKGRDEFZLCNBPZ-SHARSMKWSA-N 2 0 268.445 2.654 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623655609 353696342 /nfs/dbraw/zinc/69/63/42/353696342.db2.gz ABNNBJQHQXWGFL-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP CCOC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000623533126 353665805 /nfs/dbraw/zinc/66/58/05/353665805.db2.gz UEXZVPDSSGCPDJ-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC1(C)C ZINC000623534138 353665985 /nfs/dbraw/zinc/66/59/85/353665985.db2.gz ZEPQXCOWQCVYCM-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)CC1(C)C ZINC000623539295 353667502 /nfs/dbraw/zinc/66/75/02/353667502.db2.gz IXTLZYSOBSBADO-VXGBXAGGSA-N 2 0 260.372 2.884 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623543375 353668425 /nfs/dbraw/zinc/66/84/25/353668425.db2.gz OJMAHKPGXJAXFO-RBSFLKMASA-N 2 0 268.445 2.797 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623543376 353668543 /nfs/dbraw/zinc/66/85/43/353668543.db2.gz OJMAHKPGXJAXFO-RRFJBIMHSA-N 2 0 268.445 2.797 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623549674 353669646 /nfs/dbraw/zinc/66/96/46/353669646.db2.gz LCADZJMAPYLWRH-NOLJZWGESA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)CC1(C)C ZINC000623551973 353669771 /nfs/dbraw/zinc/66/97/71/353669771.db2.gz PNRJEWXFIDCMTP-OAHLLOKOSA-N 2 0 275.440 2.822 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623562521 353672894 /nfs/dbraw/zinc/67/28/94/353672894.db2.gz USWBBUZXXCJQNO-UONOGXRCSA-N 2 0 261.413 2.648 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCCO1 ZINC000623561650 353672916 /nfs/dbraw/zinc/67/29/16/353672916.db2.gz UHGGUOUBOHWSPO-ILXRZTDVSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2noc3ccccc32)CC1(C)C ZINC000623562537 353673021 /nfs/dbraw/zinc/67/30/21/353673021.db2.gz VCXCQSFIAXFFNL-CYBMUJFWSA-N 2 0 287.407 2.833 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000623657526 353697808 /nfs/dbraw/zinc/69/78/08/353697808.db2.gz SUWPSCZEPKODJK-HZPDHXFCSA-N 2 0 288.435 2.874 20 0 CFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623897611 353752955 /nfs/dbraw/zinc/75/29/55/353752955.db2.gz PYAKHQRKBXHUSV-QGZVFWFLSA-N 2 0 290.451 2.801 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCCCO1 ZINC000623959923 353769597 /nfs/dbraw/zinc/76/95/97/353769597.db2.gz CSLNNWBSLCYDTQ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000623998778 353779991 /nfs/dbraw/zinc/77/99/91/353779991.db2.gz AGHVFBSBUPXGAL-CHWSQXEVSA-N 2 0 267.442 2.834 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000624112923 353808829 /nfs/dbraw/zinc/80/88/29/353808829.db2.gz PQPAJAZQEMZCHW-CABCVRRESA-N 2 0 275.440 2.740 20 0 CFADRP COc1ccc([C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1O ZINC000624123017 353811924 /nfs/dbraw/zinc/81/19/24/353811924.db2.gz DCUAAYHVAONHLS-UONOGXRCSA-N 2 0 292.423 2.783 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000624032937 353789920 /nfs/dbraw/zinc/78/99/20/353789920.db2.gz KRVDCRIENTYPKJ-OXLPJUHDSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC12CC2)C1CC[NH+](C)CC1 ZINC000624313901 353860268 /nfs/dbraw/zinc/86/02/68/353860268.db2.gz XWQOCNOSPHUZHE-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP CCO[C@H](C[NH+]1CCC(C[NH+](CC)CC)CC1)C1CC1 ZINC000625082428 353975654 /nfs/dbraw/zinc/97/56/54/353975654.db2.gz KKOMGVCAJHSZDP-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000625252717 354004712 /nfs/dbraw/zinc/00/47/12/354004712.db2.gz IYAJKXHZEPEIEE-MSOLQXFVSA-N 2 0 295.515 2.915 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C2CC2)[C@H](C)C1 ZINC000675779595 540014477 /nfs/dbraw/zinc/01/44/77/540014477.db2.gz XXZCCFVARXIOES-INMHGKMJSA-N 2 0 282.472 2.759 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)CC1 ZINC000271740565 191300087 /nfs/dbraw/zinc/30/00/87/191300087.db2.gz VGSFEYYEKGCVHO-CXAGYDPISA-N 2 0 294.414 2.712 20 0 CFADRP Fc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420316652 283017677 /nfs/dbraw/zinc/01/76/77/283017677.db2.gz MWQBTIJDZMMRJZ-XJKSGUPXSA-N 2 0 262.372 2.962 20 0 CFADRP c1[nH]nc2cccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c12 ZINC000628133680 354442772 /nfs/dbraw/zinc/44/27/72/354442772.db2.gz MKZGCXYDXIVPDV-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3n[nH]cc32)C[C@H]1C ZINC000628183204 354464423 /nfs/dbraw/zinc/46/44/23/354464423.db2.gz UAYLLZZNYPWYEP-HIFRSBDPSA-N 2 0 286.423 2.868 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000628208856 354477441 /nfs/dbraw/zinc/47/74/41/354477441.db2.gz GBWFAIWQCXYCCO-JKSUJKDBSA-N 2 0 282.472 2.639 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000628231971 354491060 /nfs/dbraw/zinc/49/10/60/354491060.db2.gz IAWRHCTUPJDXOI-OAHLLOKOSA-N 2 0 258.409 2.950 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC000628232539 354491893 /nfs/dbraw/zinc/49/18/93/354491893.db2.gz CACBBJGJJDPTBA-LBPRGKRZSA-N 2 0 253.390 2.583 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000271746305 191303340 /nfs/dbraw/zinc/30/33/40/191303340.db2.gz WRCLAHPLIACCPR-HNNXBMFYSA-N 2 0 286.366 2.584 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000628253381 354504749 /nfs/dbraw/zinc/50/47/49/354504749.db2.gz GDHFLHYXZWPJNL-XUWVNRHRSA-N 2 0 250.430 2.696 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000628351882 354561415 /nfs/dbraw/zinc/56/14/15/354561415.db2.gz RBORDLDDBMXKSZ-NUJGCVRESA-N 2 0 294.483 2.734 20 0 CFADRP C[C@]1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCCS1 ZINC000628353034 354562664 /nfs/dbraw/zinc/56/26/64/354562664.db2.gz FBXATSKHTKIMBL-JKSUJKDBSA-N 2 0 282.497 2.984 20 0 CFADRP C[C@]1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCCS1 ZINC000628353033 354562960 /nfs/dbraw/zinc/56/29/60/354562960.db2.gz FBXATSKHTKIMBL-HZPDHXFCSA-N 2 0 282.497 2.984 20 0 CFADRP O[C@H](C[NH2+]C[C@H]1CCCCN1C1CC1)CC1CCCC1 ZINC000571277450 383679695 /nfs/dbraw/zinc/67/96/95/383679695.db2.gz ISHXTASWQJDVAC-SJORKVTESA-N 2 0 280.456 2.534 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000629529293 354832948 /nfs/dbraw/zinc/83/29/48/354832948.db2.gz YDEDQDIWJSTDLN-ZDUSSCGKSA-N 2 0 276.380 2.628 20 0 CFADRP CCC[C@@H](CCc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387747 354799062 /nfs/dbraw/zinc/79/90/62/354799062.db2.gz JYYCJGUJNQLPTH-KRWDZBQOSA-N 2 0 290.451 2.885 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000629528893 354833002 /nfs/dbraw/zinc/83/30/02/354833002.db2.gz MLZUTKSJKRDQCE-SNVBAGLBSA-N 2 0 291.222 2.880 20 0 CFADRP CCc1ccc([C@@H]([NH2+]CCOCC[NH2+]C)C(C)C)cc1 ZINC000629529368 354833017 /nfs/dbraw/zinc/83/30/17/354833017.db2.gz AQTDVTFPWFANCI-KRWDZBQOSA-N 2 0 278.440 2.772 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000629530411 354833020 /nfs/dbraw/zinc/83/30/20/354833020.db2.gz GINNEPCXMVIWBU-ZDUSSCGKSA-N 2 0 290.382 2.866 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629397481 354802052 /nfs/dbraw/zinc/80/20/52/354802052.db2.gz WBFKLLJBGHPBMT-MXSMSXNCSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCOCCC[NH3+] ZINC000629399501 354803242 /nfs/dbraw/zinc/80/32/42/354803242.db2.gz SJMZPBGSGDYLPB-OAHLLOKOSA-N 2 0 278.440 2.698 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000629531040 354833720 /nfs/dbraw/zinc/83/37/20/354833720.db2.gz YEKWWQPKDVHNIM-IAGOWNOFSA-N 2 0 276.424 2.697 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629514206 354824624 /nfs/dbraw/zinc/82/46/24/354824624.db2.gz KIVMOTBNOVKXPU-ARFHVFGLSA-N 2 0 276.424 2.522 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2ccccc21 ZINC000629514871 354824783 /nfs/dbraw/zinc/82/47/83/354824783.db2.gz UWHLEFCZJWCMCF-IPELMVKDSA-N 2 0 294.398 2.862 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2ccccc21 ZINC000629514874 354824998 /nfs/dbraw/zinc/82/49/98/354824998.db2.gz UWHLEFCZJWCMCF-ZYSHUDEJSA-N 2 0 294.398 2.862 20 0 CFADRP Oc1ccc(Cl)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000629531991 354834095 /nfs/dbraw/zinc/83/40/95/354834095.db2.gz HLQJCEVEYOHQCL-ZDUSSCGKSA-N 2 0 294.826 2.867 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629521658 354827692 /nfs/dbraw/zinc/82/76/92/354827692.db2.gz QFWHSDSGRPLKGJ-WBMJQRKESA-N 2 0 292.398 2.547 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCCc3ccccc32)CCOCC1 ZINC000629522316 354827863 /nfs/dbraw/zinc/82/78/63/354827863.db2.gz XPGJKPJWCKEZSO-MRXNPFEDSA-N 2 0 274.408 2.552 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCC23CCCCC3)CCOCC1 ZINC000629522037 354827991 /nfs/dbraw/zinc/82/79/91/354827991.db2.gz VZEIBSAVWHSLJK-AWEZNQCLSA-N 2 0 266.429 2.587 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523798 354828607 /nfs/dbraw/zinc/82/86/07/354828607.db2.gz JDYAVSDLOYXAIP-QGZVFWFLSA-N 2 0 290.451 2.741 20 0 CFADRP CCSc1ccccc1[C@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529273 354832521 /nfs/dbraw/zinc/83/25/21/354832521.db2.gz XKCFXCMAYFLYDB-ZDUSSCGKSA-N 2 0 282.453 2.685 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cccc(Cl)c1F ZINC000629529774 354832577 /nfs/dbraw/zinc/83/25/77/354832577.db2.gz MPOYOBYWQUFNNA-CYBMUJFWSA-N 2 0 288.794 2.756 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(Cl)cc1 ZINC000629528897 354832595 /nfs/dbraw/zinc/83/25/95/354832595.db2.gz MMZMQJSLWBXNQM-CQSZACIVSA-N 2 0 270.804 2.617 20 0 CFADRP CCSc1ccc([C@@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629529648 354832647 /nfs/dbraw/zinc/83/26/47/354832647.db2.gz JMUMAKZMZRSCDC-CYBMUJFWSA-N 2 0 282.453 2.685 20 0 CFADRP CC[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1[NH3+] ZINC000629651880 354877569 /nfs/dbraw/zinc/87/75/69/354877569.db2.gz NAIBVIVDJBAFEO-ZBFHGGJFSA-N 2 0 272.392 2.522 20 0 CFADRP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000629533066 354834598 /nfs/dbraw/zinc/83/45/98/354834598.db2.gz FVKQTMXYCMFMIR-OLZOCXBDSA-N 2 0 294.826 2.867 20 0 CFADRP CC(C)CO[C@@H]1C[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1(C)C ZINC000629534540 354834757 /nfs/dbraw/zinc/83/47/57/354834757.db2.gz AEPPASFFNWIOKI-LJISPDSOSA-N 2 0 268.445 2.556 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000629536792 354836035 /nfs/dbraw/zinc/83/60/35/354836035.db2.gz ICQZXJSEMDONDO-HNNXBMFYSA-N 2 0 282.815 2.746 20 0 CFADRP CCC[C@@H](C)CCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000629538433 354836635 /nfs/dbraw/zinc/83/66/35/354836635.db2.gz NWKWBWVPANZCFW-ZBFHGGJFSA-N 2 0 293.459 2.590 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000629539177 354837484 /nfs/dbraw/zinc/83/74/84/354837484.db2.gz OTFCTBUEZFSPEZ-LJQANCHMSA-N 2 0 298.430 2.925 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629654265 354878127 /nfs/dbraw/zinc/87/81/27/354878127.db2.gz GZVQXZNPDZJXCM-TUAOUCFPSA-N 2 0 266.351 2.882 20 0 CFADRP Cc1ccc2cc([C@H](C)[NH2+]CCOCCC[NH3+])oc2c1 ZINC000629540581 354838659 /nfs/dbraw/zinc/83/86/59/354838659.db2.gz WJVHZUPUWIQTKS-ZDUSSCGKSA-N 2 0 276.380 2.757 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NCc1ccccc1CC(F)(F)F ZINC000629555197 354845858 /nfs/dbraw/zinc/84/58/58/354845858.db2.gz RSDIYMNYGDHCGP-CHWSQXEVSA-N 2 0 272.314 2.761 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000629564016 354847809 /nfs/dbraw/zinc/84/78/09/354847809.db2.gz JCUGDINDCJOCDI-JKSUJKDBSA-N 2 0 262.397 2.576 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629560592 354847907 /nfs/dbraw/zinc/84/79/07/354847907.db2.gz DWVSVPLBRHIASD-NEPJUHHUSA-N 2 0 264.335 2.636 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCCCF)CC[C@H]1C(F)(F)F ZINC000629564227 354848094 /nfs/dbraw/zinc/84/80/94/354848094.db2.gz SBFZDBROYLSBGN-GHMZBOCLSA-N 2 0 270.314 2.585 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000629570549 354849382 /nfs/dbraw/zinc/84/93/82/354849382.db2.gz DFJSVOSTCSGELR-GFCCVEGCSA-N 2 0 270.804 2.569 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000629572086 354849429 /nfs/dbraw/zinc/84/94/29/354849429.db2.gz VXCWXXIGPGMNRR-GFCCVEGCSA-N 2 0 270.804 2.569 20 0 CFADRP Cc1cccc([C@@H](C)[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585158 354851284 /nfs/dbraw/zinc/85/12/84/354851284.db2.gz LRTVDCLVPRSNSO-OIISXLGYSA-N 2 0 258.409 2.987 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCc1cccc(F)c1)C2 ZINC000629592404 354854388 /nfs/dbraw/zinc/85/43/88/354854388.db2.gz BYXDKWAPJKRENF-CALCHBBNSA-N 2 0 276.399 2.690 20 0 CFADRP Cc1cc(C2CC[NH2+]CC2)ccc1C1=CC[NH2+]CC1 ZINC000629722911 354908866 /nfs/dbraw/zinc/90/88/66/354908866.db2.gz HMIAIBPXUFVGIO-UHFFFAOYSA-N 2 0 256.393 2.839 20 0 CFADRP CO[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000003635135 540045327 /nfs/dbraw/zinc/04/53/27/540045327.db2.gz FQLDDSDWVYEZHL-SFHVURJKSA-N 2 0 297.402 2.591 20 0 CFADRP CC(C)[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000630072740 354996090 /nfs/dbraw/zinc/99/60/90/354996090.db2.gz YTRIZTAZBOHEMD-QGZVFWFLSA-N 2 0 258.409 2.857 20 0 CFADRP CC[N@H+]1[C@H](C)CN(Cc2ncc(C)c(OC)c2C)C[C@@H]1C ZINC000630075323 354997921 /nfs/dbraw/zinc/99/79/21/354997921.db2.gz XOSHJQDHJPPIEU-OKILXGFUSA-N 2 0 291.439 2.622 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000271838878 191359413 /nfs/dbraw/zinc/35/94/13/191359413.db2.gz GAVDAZORHIQZLF-UHFFFAOYSA-N 2 0 268.763 2.831 20 0 CFADRP C[N@H+](CCC[NH2+]Cc1ccc(=O)[nH]c1)C1CCCCC1 ZINC000631041517 355261248 /nfs/dbraw/zinc/26/12/48/355261248.db2.gz FGZHYJSZJYSODS-UHFFFAOYSA-N 2 0 277.412 2.531 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631044286 355261835 /nfs/dbraw/zinc/26/18/35/355261835.db2.gz IVSHZSMHAWOJLB-ZDUSSCGKSA-N 2 0 252.427 2.796 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(=O)[nH]c2)c1 ZINC000631053875 355266468 /nfs/dbraw/zinc/26/64/68/355266468.db2.gz YQQYBZYREQEFEM-UHFFFAOYSA-N 2 0 299.418 2.917 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000631055769 355268321 /nfs/dbraw/zinc/26/83/21/355268321.db2.gz GAMDTTASJNPSCN-RDJZCZTQSA-N 2 0 287.451 2.649 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000631055767 355268340 /nfs/dbraw/zinc/26/83/40/355268340.db2.gz GAMDTTASJNPSCN-DOTOQJQBSA-N 2 0 287.451 2.649 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(=O)[nH]c2)c1 ZINC000631065813 355272411 /nfs/dbraw/zinc/27/24/11/355272411.db2.gz UILJPILGOJCJIF-UHFFFAOYSA-N 2 0 285.391 2.529 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000271848606 191365728 /nfs/dbraw/zinc/36/57/28/191365728.db2.gz SNWUNUZWRWLDRZ-UHFFFAOYSA-N 2 0 295.224 2.801 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631110514 355297515 /nfs/dbraw/zinc/29/75/15/355297515.db2.gz MOIJHUNOUNQEQG-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc3n2CCC3)[C@H]2CCCC[C@H]12 ZINC000667964809 540135870 /nfs/dbraw/zinc/13/58/70/540135870.db2.gz QMHGAJSKGIAEFD-YUELXQCFSA-N 2 0 259.397 2.840 20 0 CFADRP Cn1nc2c(c1C[NH2+]C(C)(C)CCC[NH+](C)C)CCCC2 ZINC000631151744 355316873 /nfs/dbraw/zinc/31/68/73/355316873.db2.gz PKDWHUCGCBFXSC-UHFFFAOYSA-N 2 0 292.471 2.509 20 0 CFADRP C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196014 355343222 /nfs/dbraw/zinc/34/32/22/355343222.db2.gz MTFSVZVTNWPTJW-LMSBXDPUSA-N 2 0 288.435 2.522 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000631196398 355344001 /nfs/dbraw/zinc/34/40/01/355344001.db2.gz RCOYGFZXVDXBQX-QAPCUYQASA-N 2 0 283.419 2.872 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC1(N(C)C)CC1 ZINC000669428211 540149609 /nfs/dbraw/zinc/14/96/09/540149609.db2.gz DHKBALKNPSAOOJ-LBPRGKRZSA-N 2 0 252.427 2.753 20 0 CFADRP c1cnc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000631569229 355492081 /nfs/dbraw/zinc/49/20/81/355492081.db2.gz KVDJPZKAGZMFNX-ZACQAIPSSA-N 2 0 271.408 2.675 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCc2ncccc21)C[NH+]1CCCC1 ZINC000631570428 355493147 /nfs/dbraw/zinc/49/31/47/355493147.db2.gz VJKGTHHWKMMVAW-WMLDXEAASA-N 2 0 273.424 2.781 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000631565524 355489854 /nfs/dbraw/zinc/48/98/54/355489854.db2.gz GEXHFULFCXECGZ-ACJLOTCBSA-N 2 0 286.419 2.756 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CCN1C ZINC000631653430 355534293 /nfs/dbraw/zinc/53/42/93/355534293.db2.gz HXEYNSKNZNWZOV-XBVQOTNRSA-N 2 0 274.408 2.589 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000631707703 355558590 /nfs/dbraw/zinc/55/85/90/355558590.db2.gz XQPFGLUVNOGCSO-QWRGUYRKSA-N 2 0 267.442 2.832 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000631823621 355595744 /nfs/dbraw/zinc/59/57/44/355595744.db2.gz JRYSKXNUJADFML-UAGQMJEPSA-N 2 0 273.424 2.566 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890386 355615743 /nfs/dbraw/zinc/61/57/43/355615743.db2.gz PFESRDUEININJB-DZGCQCFKSA-N 2 0 276.449 2.982 20 0 CFADRP FC1(F)CC[C@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000631826418 355596861 /nfs/dbraw/zinc/59/68/61/355596861.db2.gz MVSVGUOSJWLVGC-GXTWGEPZSA-N 2 0 272.383 2.743 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)n1 ZINC000631827012 355597713 /nfs/dbraw/zinc/59/77/13/355597713.db2.gz CJKIKZRAAVTUQS-FUHWJXTLSA-N 2 0 287.451 2.971 20 0 CFADRP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839641 355602824 /nfs/dbraw/zinc/60/28/24/355602824.db2.gz IZFIBHXAXLGEJM-GRYCIOLGSA-N 2 0 252.789 2.928 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000631872737 355610490 /nfs/dbraw/zinc/61/04/90/355610490.db2.gz FGRIJXHRJDWGRO-GDBMZVCRSA-N 2 0 250.430 2.888 20 0 CFADRP Fc1cccc(O[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000631879001 355611542 /nfs/dbraw/zinc/61/15/42/355611542.db2.gz HQXHJSGRLGWYPQ-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887668 355614003 /nfs/dbraw/zinc/61/40/03/355614003.db2.gz POZIBTNNECEIHU-WMLDXEAASA-N 2 0 297.402 2.514 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC[N@@H+]1C ZINC000229302010 540178723 /nfs/dbraw/zinc/17/87/23/540178723.db2.gz NBGKHLQFQBAXTB-KFWWJZLASA-N 2 0 266.429 2.551 20 0 CFADRP COc1ccsc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272512394 191761022 /nfs/dbraw/zinc/76/10/22/191761022.db2.gz HYYAZTOJCQFFBU-UHFFFAOYSA-N 2 0 268.426 2.578 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H]2CCC[C@H]21 ZINC000348706770 283132646 /nfs/dbraw/zinc/13/26/46/283132646.db2.gz UVUMBNVZNKLSQK-UDSBESMDSA-N 2 0 276.346 2.790 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@@H]2CCC[C@H]21 ZINC000353535626 283134790 /nfs/dbraw/zinc/13/47/90/283134790.db2.gz WKRCXWVHCDREDN-SOUVJXGZSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000375895094 283135599 /nfs/dbraw/zinc/13/55/99/283135599.db2.gz JIBOCDZNWUDZHO-YESZJQIVSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000453313544 540227664 /nfs/dbraw/zinc/22/76/64/540227664.db2.gz HXXGGRNYCXQBHI-OIISXLGYSA-N 2 0 290.451 2.961 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)CC[NH+](C)C)cc1F ZINC000273685213 192262269 /nfs/dbraw/zinc/26/22/69/192262269.db2.gz HNWFBQNBQKTNHO-KGLIPLIRSA-N 2 0 296.430 2.943 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)CC[NH+](C)C)cc1F ZINC000273685208 192262412 /nfs/dbraw/zinc/26/24/12/192262412.db2.gz HNWFBQNBQKTNHO-KBPBESRZSA-N 2 0 296.430 2.943 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000334845200 540253552 /nfs/dbraw/zinc/25/35/52/540253552.db2.gz JOGAJQQQVCRITB-CHWSQXEVSA-N 2 0 273.355 2.733 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)C2 ZINC000567871079 290501645 /nfs/dbraw/zinc/50/16/45/290501645.db2.gz NUOAFQXCMINRHN-KRWDZBQOSA-N 2 0 296.414 2.801 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000195117039 283214217 /nfs/dbraw/zinc/21/42/17/283214217.db2.gz LKCCLXNJNYIMAW-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446891249 535359069 /nfs/dbraw/zinc/35/90/69/535359069.db2.gz WBBXPZQATZOTSE-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1SC ZINC000568882848 290575836 /nfs/dbraw/zinc/57/58/36/290575836.db2.gz HGEJLNIMMJFYFX-MNOVXSKESA-N 2 0 268.426 2.633 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068293 540282500 /nfs/dbraw/zinc/28/25/00/540282500.db2.gz DHLAMJORQDELLY-IRXDYDNUSA-N 2 0 281.488 2.715 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339066729 540282927 /nfs/dbraw/zinc/28/29/27/540282927.db2.gz DVSCPMYEGJIQEM-ULQDDVLXSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067521 540282996 /nfs/dbraw/zinc/28/29/96/540282996.db2.gz AJWAQUAFZNAPEC-NJAFHUGGSA-N 2 0 299.462 2.654 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)c1ccccc1 ZINC000339066242 540283019 /nfs/dbraw/zinc/28/30/19/540283019.db2.gz JENVRXSNFLGSGX-NUJGCVRESA-N 2 0 287.451 2.728 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000235661374 291122811 /nfs/dbraw/zinc/12/28/11/291122811.db2.gz RFSWVHIYSYJFKO-WDEREUQCSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415086989 291124098 /nfs/dbraw/zinc/12/40/98/291124098.db2.gz SLVLJZUZUWXEOT-WCQYABFASA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1N(C)C ZINC000423221727 299270528 /nfs/dbraw/zinc/27/05/28/299270528.db2.gz XVHBRGOGRHPTJR-XGNXJENSSA-N 2 0 279.403 2.812 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(C)c1 ZINC000643467604 540375187 /nfs/dbraw/zinc/37/51/87/540375187.db2.gz ZZMXFGNVZPKNKD-JKSUJKDBSA-N 2 0 262.397 2.753 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000681366363 540374351 /nfs/dbraw/zinc/37/43/51/540374351.db2.gz QLSMMUBCSYIXGR-IRXDYDNUSA-N 2 0 293.499 2.594 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(C)c1 ZINC000643467601 540375259 /nfs/dbraw/zinc/37/52/59/540375259.db2.gz ZZMXFGNVZPKNKD-CVEARBPZSA-N 2 0 262.397 2.753 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000294653907 199124745 /nfs/dbraw/zinc/12/47/45/199124745.db2.gz CDUNEGCRFFHQPH-GDBMZVCRSA-N 2 0 278.465 2.850 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000228181076 540384786 /nfs/dbraw/zinc/38/47/86/540384786.db2.gz ZFJOLCDIUFZSOS-CVEARBPZSA-N 2 0 276.424 2.884 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294702886 199143071 /nfs/dbraw/zinc/14/30/71/199143071.db2.gz DBPCCHCRTLJQEA-NXHRZFHOSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420283384 236600043 /nfs/dbraw/zinc/60/00/43/236600043.db2.gz CCHWZRKRMHKMGH-LBPRGKRZSA-N 2 0 252.427 2.740 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCCc4ccc(F)cc43)C[C@H]12 ZINC000420305846 236610441 /nfs/dbraw/zinc/61/04/41/236610441.db2.gz KOHFUYDEDOFKOW-ZFVVBOAOSA-N 2 0 274.383 2.872 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000421371125 236784524 /nfs/dbraw/zinc/78/45/24/236784524.db2.gz KACJTLPDADHFBD-UHFFFAOYSA-N 2 0 278.444 2.601 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)CCCCC1 ZINC000424336992 283408184 /nfs/dbraw/zinc/40/81/84/283408184.db2.gz KCMOFPWQIFSQNR-XQQFMLRXSA-N 2 0 290.411 2.781 20 0 CFADRP C[C@H]([NH2+]CC1(c2cccc(F)c2F)CCCC1)C1C[NH2+]C1 ZINC000423078849 299285849 /nfs/dbraw/zinc/28/58/49/299285849.db2.gz PJBAGFZBJJPUOM-LBPRGKRZSA-N 2 0 294.389 2.974 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000061329380 283413208 /nfs/dbraw/zinc/41/32/08/283413208.db2.gz FYMNYWYEFIBKIO-XIVSLSHWSA-N 2 0 250.411 2.985 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000296418275 199885287 /nfs/dbraw/zinc/88/52/87/199885287.db2.gz MJZRFTUHYRLRML-GDBMZVCRSA-N 2 0 289.423 2.642 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423317618 283430660 /nfs/dbraw/zinc/43/06/60/283430660.db2.gz CPPXVINWCGFMAJ-MRXNPFEDSA-N 2 0 284.407 2.578 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000152199515 540445502 /nfs/dbraw/zinc/44/55/02/540445502.db2.gz FKUCXHPPTDYOKH-RYUDHWBXSA-N 2 0 279.428 2.542 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000152199595 540445510 /nfs/dbraw/zinc/44/55/10/540445510.db2.gz FKUCXHPPTDYOKH-VXGBXAGGSA-N 2 0 279.428 2.542 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000246835243 299290252 /nfs/dbraw/zinc/29/02/52/299290252.db2.gz BVXWWPLOKCFLSE-YVSFHVDLSA-N 2 0 282.472 2.759 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)[C@@H]2CCCCO2)CC1 ZINC000678772607 540478727 /nfs/dbraw/zinc/47/87/27/540478727.db2.gz NHYHXXOKGPOADI-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000422642377 237118131 /nfs/dbraw/zinc/11/81/31/237118131.db2.gz ZLMKNYVVXAVFCB-RDBSUJKOSA-N 2 0 280.387 2.510 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422702570 237121057 /nfs/dbraw/zinc/12/10/57/237121057.db2.gz LBDYREPUWBJVGM-ZIAGYGMSSA-N 2 0 286.423 2.745 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694140 237119713 /nfs/dbraw/zinc/11/97/13/237119713.db2.gz NPZKVMZBYYZLJT-GJZGRUSLSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422729580 237145466 /nfs/dbraw/zinc/14/54/66/237145466.db2.gz KXYOYGXSQFENPI-XKQJLSEDSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732043 237146124 /nfs/dbraw/zinc/14/61/24/237146124.db2.gz NDHZIWBSWDFJHY-XJKSGUPXSA-N 2 0 271.408 2.688 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCN(C)c1ccccc1 ZINC000422739964 237157138 /nfs/dbraw/zinc/15/71/38/237157138.db2.gz MJUHUKOGWVELIX-HUUCEWRRSA-N 2 0 263.429 2.618 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422733903 237149384 /nfs/dbraw/zinc/14/93/84/237149384.db2.gz RYPSBHKYFHUVQQ-MELADBBJSA-N 2 0 281.469 2.600 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698796 237121994 /nfs/dbraw/zinc/12/19/94/237121994.db2.gz BAMBQGMBGNGVRT-KBPBESRZSA-N 2 0 264.800 2.841 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C1CCCCC1 ZINC000422700030 237122032 /nfs/dbraw/zinc/12/20/32/237122032.db2.gz FVEWMRSMFUSUSD-PVAVHDDUSA-N 2 0 282.472 2.828 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000422707034 237123966 /nfs/dbraw/zinc/12/39/66/237123966.db2.gz GMYPKOHYIPJYRS-NVXWUHKLSA-N 2 0 276.424 2.790 20 0 CFADRP Clc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422709156 237129855 /nfs/dbraw/zinc/12/98/55/237129855.db2.gz CYMFVVVQDQEIAV-PBWFPOADSA-N 2 0 280.799 2.591 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422713541 237131449 /nfs/dbraw/zinc/13/14/49/237131449.db2.gz PQXKHRCMEDZXQY-FUHWJXTLSA-N 2 0 290.451 2.614 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000422715376 237132250 /nfs/dbraw/zinc/13/22/50/237132250.db2.gz JEUFVFWOSRBVNY-LSDHHAIUSA-N 2 0 299.418 2.876 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422718392 237135082 /nfs/dbraw/zinc/13/50/82/237135082.db2.gz XCVOPVJBJLMHON-QXSJWSMHSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422726023 237139496 /nfs/dbraw/zinc/13/94/96/237139496.db2.gz YYQPPDKLPAASIJ-ZWKOTPCHSA-N 2 0 290.451 2.743 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422773460 237192006 /nfs/dbraw/zinc/19/20/06/237192006.db2.gz UBFDFHRSEPKCGT-SWLSCSKDSA-N 2 0 282.428 2.776 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422768970 237184966 /nfs/dbraw/zinc/18/49/66/237184966.db2.gz OHNNJBHIQILFLE-GOEBONIOSA-N 2 0 274.408 2.692 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422769391 237185778 /nfs/dbraw/zinc/18/57/78/237185778.db2.gz OYBZSEYFRWCVJU-CHWSQXEVSA-N 2 0 286.423 2.705 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422770557 237186171 /nfs/dbraw/zinc/18/61/71/237186171.db2.gz QIDAUMCABAIMQF-IUODEOHRSA-N 2 0 262.372 2.574 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422772536 237188129 /nfs/dbraw/zinc/18/81/29/237188129.db2.gz ZGZISQNSIKMFAX-LRDDRELGSA-N 2 0 289.398 2.827 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422772703 237188863 /nfs/dbraw/zinc/18/88/63/237188863.db2.gz XODOEWBSQCBULC-GXTWGEPZSA-N 2 0 252.789 2.600 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000422746326 237158058 /nfs/dbraw/zinc/15/80/58/237158058.db2.gz ZHHFUMTUFFDNLC-HRCADAONSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422745271 237160205 /nfs/dbraw/zinc/16/02/05/237160205.db2.gz LSSZYXOBAYPGSX-XHSDSOJGSA-N 2 0 289.467 2.927 20 0 CFADRP CSCCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422750910 237164849 /nfs/dbraw/zinc/16/48/49/237164849.db2.gz DWKVPYKJNBBPBX-DZGCQCFKSA-N 2 0 266.454 2.678 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCn2cnc3ccccc32)c2ccccc21 ZINC000422751955 237166692 /nfs/dbraw/zinc/16/66/92/237166692.db2.gz CAQLNRNFDNAWEB-DOTOQJQBSA-N 2 0 292.386 2.771 20 0 CFADRP C[C@H]1Cc2ccccc2N1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422754091 237170850 /nfs/dbraw/zinc/17/08/50/237170850.db2.gz DPYZCPKSHLLKNM-UQPPLGOBSA-N 2 0 287.451 2.545 20 0 CFADRP COCc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1F ZINC000422758362 237173930 /nfs/dbraw/zinc/17/39/30/237173930.db2.gz IWSHWXXKIUZMNN-GFCCVEGCSA-N 2 0 268.376 2.579 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1cccs1 ZINC000422760828 237174480 /nfs/dbraw/zinc/17/44/80/237174480.db2.gz QLAJKKZYKVPUMV-BBRMVZONSA-N 2 0 274.433 2.839 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Br)cc1 ZINC000422765303 237178704 /nfs/dbraw/zinc/17/87/04/237178704.db2.gz QTCHAJUPFJSUNB-QWRGUYRKSA-N 2 0 285.229 2.707 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422763523 237179852 /nfs/dbraw/zinc/17/98/52/237179852.db2.gz OUEXXWFCKSIROW-LAVFITLUSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000422798594 237221560 /nfs/dbraw/zinc/22/15/60/237221560.db2.gz RXLVLLGWJVWSRX-GARJFASQSA-N 2 0 256.340 2.784 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251717413 540550672 /nfs/dbraw/zinc/55/06/72/540550672.db2.gz JUCWEUOYLZEQFJ-SWLSCSKDSA-N 2 0 282.815 2.778 20 0 CFADRP Cc1cccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c[nH]c21 ZINC000422777782 237194413 /nfs/dbraw/zinc/19/44/13/237194413.db2.gz GPXYQAFMRLJMKX-XYPWUTKMSA-N 2 0 283.419 2.891 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422776062 237194578 /nfs/dbraw/zinc/19/45/78/237194578.db2.gz CBBAKRCCSHPZNS-RDBSUJKOSA-N 2 0 264.413 2.904 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422778574 237195926 /nfs/dbraw/zinc/19/59/26/237195926.db2.gz ASOFIRATTFXNHO-XJKCOSOUSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Oc1ccc(F)cc1 ZINC000422779205 237198938 /nfs/dbraw/zinc/19/89/38/237198938.db2.gz BTOXWCWLINZTEI-DAXOMENPSA-N 2 0 280.387 2.843 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1F ZINC000422784369 237205792 /nfs/dbraw/zinc/20/57/92/237205792.db2.gz LXSNMJPJEHDTOV-DCAQKATOSA-N 2 0 254.349 2.611 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Sc1ccccc1 ZINC000422783782 237206427 /nfs/dbraw/zinc/20/64/27/237206427.db2.gz HVZFBWPCAZLQOD-MRVWCRGKSA-N 2 0 250.411 2.637 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1F ZINC000422796201 237217331 /nfs/dbraw/zinc/21/73/31/237217331.db2.gz XRXHXLKYUUMNBW-VNHYZAJKSA-N 2 0 280.387 2.700 20 0 CFADRP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)(C)C ZINC000422815514 237243264 /nfs/dbraw/zinc/24/32/64/237243264.db2.gz XSFCQAQSHHMGEP-VNQPRFMTSA-N 2 0 278.440 2.596 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000666770410 540577879 /nfs/dbraw/zinc/57/78/79/540577879.db2.gz ZAMIRNQZNLRGLL-NXHRZFHOSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC[C@H]1O ZINC000422822428 237253050 /nfs/dbraw/zinc/25/30/50/237253050.db2.gz JZEVJNOSTGCXON-CWQOZTLDSA-N 2 0 294.483 2.828 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252412929 540562642 /nfs/dbraw/zinc/56/26/42/540562642.db2.gz BHKPGUXBXRLTSO-SJLPKXTDSA-N 2 0 288.435 2.838 20 0 CFADRP Clc1ccc2cccnc2c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000666787446 540579559 /nfs/dbraw/zinc/57/95/59/540579559.db2.gz VNMWOHLMENFQOJ-GFCCVEGCSA-N 2 0 289.810 2.977 20 0 CFADRP Cc1ccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422834221 237259666 /nfs/dbraw/zinc/25/96/66/237259666.db2.gz XAMDLBXQPYIMIO-FUHWJXTLSA-N 2 0 289.467 2.849 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422806517 237231429 /nfs/dbraw/zinc/23/14/29/237231429.db2.gz NMFABFMIWNFMPQ-GHMZBOCLSA-N 2 0 290.329 2.843 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000252822249 540568716 /nfs/dbraw/zinc/56/87/16/540568716.db2.gz AKZWBLSKZUESLP-GDBMZVCRSA-N 2 0 276.424 2.858 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422808241 237232914 /nfs/dbraw/zinc/23/29/14/237232914.db2.gz NZLRAUSNIHXGPN-GOSISDBHSA-N 2 0 299.418 2.592 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000252909917 540569334 /nfs/dbraw/zinc/56/93/34/540569334.db2.gz BKJPXHQYBFYVKE-SLBVQIDZSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422811948 237236353 /nfs/dbraw/zinc/23/63/53/237236353.db2.gz VLRCZXMTCNXMLD-YJBOKZPZSA-N 2 0 287.451 2.513 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422813843 237239171 /nfs/dbraw/zinc/23/91/71/237239171.db2.gz SNCAAUYQYXOJKQ-RBSFLKMASA-N 2 0 262.397 2.782 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422813846 237239506 /nfs/dbraw/zinc/23/95/06/237239506.db2.gz SNCAAUYQYXOJKQ-SOUVJXGZSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000422813689 237240247 /nfs/dbraw/zinc/24/02/47/237240247.db2.gz YMFSORNCPCQPCS-IHRRRGAJSA-N 2 0 272.396 2.649 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422860093 237280044 /nfs/dbraw/zinc/28/00/44/237280044.db2.gz HYEKATYTLGWGGK-YOEHRIQHSA-N 2 0 298.434 2.973 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422864764 237285187 /nfs/dbraw/zinc/28/51/87/237285187.db2.gz VYDAHHUKYWQRKK-HOCLYGCPSA-N 2 0 260.425 2.990 20 0 CFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422864565 237286200 /nfs/dbraw/zinc/28/62/00/237286200.db2.gz VIKWAQDEXLPDOL-QWRGUYRKSA-N 2 0 297.830 2.692 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422865192 237286915 /nfs/dbraw/zinc/28/69/15/237286915.db2.gz OKFWIPMLVLFBQO-KBPBESRZSA-N 2 0 286.423 2.959 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000666952274 540596184 /nfs/dbraw/zinc/59/61/84/540596184.db2.gz NSSSISWAKJXPRW-AWEZNQCLSA-N 2 0 264.800 2.880 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666953541 540596426 /nfs/dbraw/zinc/59/64/26/540596426.db2.gz AZIGECPUYQKKMM-GDBMZVCRSA-N 2 0 258.409 2.912 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422868414 237288976 /nfs/dbraw/zinc/28/89/76/237288976.db2.gz VBKVREZNVMTHON-KBPBESRZSA-N 2 0 276.424 2.999 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954121 540597268 /nfs/dbraw/zinc/59/72/68/540597268.db2.gz QHBNHFWPGPQVDJ-XJKSGUPXSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000422869906 237290084 /nfs/dbraw/zinc/29/00/84/237290084.db2.gz BAJUCVABOWFDAS-KEVQOFRZSA-N 2 0 299.462 2.522 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(OC(C)C)c1 ZINC000422873508 237293680 /nfs/dbraw/zinc/29/36/80/237293680.db2.gz LIBCFPACZCTHKM-GDBMZVCRSA-N 2 0 276.424 2.999 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000422843349 237269137 /nfs/dbraw/zinc/26/91/37/237269137.db2.gz HZFCCDVQOBYQDY-QGZVFWFLSA-N 2 0 292.467 2.870 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422849413 237273506 /nfs/dbraw/zinc/27/35/06/237273506.db2.gz BXOHKIMWJUJHMS-HOTGVXAUSA-N 2 0 264.388 2.926 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422885839 237304727 /nfs/dbraw/zinc/30/47/27/237304727.db2.gz HHOAVSNBRZTGOE-VHSXEESVSA-N 2 0 256.777 2.564 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnccc1N ZINC000422886596 237305942 /nfs/dbraw/zinc/30/59/42/237305942.db2.gz XEBRLBUZMQWGCU-CABCVRRESA-N 3 0 290.455 2.799 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422892440 237316154 /nfs/dbraw/zinc/31/61/54/237316154.db2.gz YOZGIUGCIGUNKO-MFKMUULPSA-N 2 0 268.788 2.566 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000422892617 237316668 /nfs/dbraw/zinc/31/66/68/237316668.db2.gz YXWLSZXOUOMAIN-QWHCGFSZSA-N 2 0 267.442 2.552 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])sc1C ZINC000422894125 237317203 /nfs/dbraw/zinc/31/72/03/237317203.db2.gz SEGWJZAQZWBQOS-STQMWFEESA-N 2 0 267.442 2.552 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000422902333 237322592 /nfs/dbraw/zinc/32/25/92/237322592.db2.gz UHCHDOAQGIREBU-JGVFFNPUSA-N 2 0 277.231 2.726 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422909439 237331028 /nfs/dbraw/zinc/33/10/28/237331028.db2.gz OAFAHZCIWZOELB-XJKSGUPXSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nccs1 ZINC000422910792 237336098 /nfs/dbraw/zinc/33/60/98/237336098.db2.gz JGUJBSLLMRWMSL-ZFWWWQNUSA-N 2 0 289.448 2.624 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1ccccc1Cl ZINC000422921127 237350783 /nfs/dbraw/zinc/35/07/83/237350783.db2.gz NJFMVTGLIYEJSL-KGYLQXTDSA-N 2 0 268.788 2.577 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414799652 283467630 /nfs/dbraw/zinc/46/76/30/283467630.db2.gz KGWNAWNUDYKZTD-MAUKXSAKSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000422921845 237353515 /nfs/dbraw/zinc/35/35/15/237353515.db2.gz PEAKMPRGOSFJJO-TUAOUCFPSA-N 2 0 270.804 2.823 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422922894 237355018 /nfs/dbraw/zinc/35/50/18/237355018.db2.gz RDSHKEMGHKIYDY-JMSVASOKSA-N 2 0 282.815 2.824 20 0 CFADRP Cc1cccc(NCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000422923734 237357867 /nfs/dbraw/zinc/35/78/67/237357867.db2.gz WVSOQJBQYXNNMJ-JKSUJKDBSA-N 2 0 282.391 2.536 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423275129 283468370 /nfs/dbraw/zinc/46/83/70/283468370.db2.gz MWZGDGZUPGMWQU-MAZHCROVSA-N 2 0 262.372 2.920 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@@H](C)CCC[NH3+])o2)cs1 ZINC000422941635 237372052 /nfs/dbraw/zinc/37/20/52/237372052.db2.gz JVQRMEGJQIQYQM-JTQLQIEISA-N 2 0 279.409 2.929 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422958839 237386521 /nfs/dbraw/zinc/38/65/21/237386521.db2.gz QDOIDBPYODXHGV-CKQIIDDLSA-N 2 0 256.393 2.855 20 0 CFADRP [NH3+][C@H]1C[C@H](NCc2ccc(CO)c(F)c2)c2ccccc21 ZINC000422965412 237393049 /nfs/dbraw/zinc/39/30/49/237393049.db2.gz OMYUTMQJHJMLAO-IRXDYDNUSA-N 2 0 286.350 2.552 20 0 CFADRP Cc1cnccc1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423014894 237442636 /nfs/dbraw/zinc/44/26/36/237442636.db2.gz QBICEPVILQJCMV-WBVHZDCISA-N 2 0 275.440 2.833 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297534011 200220933 /nfs/dbraw/zinc/22/09/33/200220933.db2.gz WCAJOTMCLOXFOS-AEFFLSMTSA-N 2 0 288.435 2.744 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CC1CCCCC1 ZINC000423086896 237512819 /nfs/dbraw/zinc/51/28/19/237512819.db2.gz MWCMDOHZCFNMPL-UKRRQHHQSA-N 2 0 256.434 2.689 20 0 CFADRP CC(C)(C)n1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000297640854 200250072 /nfs/dbraw/zinc/25/00/72/200250072.db2.gz XHOPOTFDMYFEJN-UHFFFAOYSA-N 2 0 283.379 2.576 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000447601661 299299908 /nfs/dbraw/zinc/29/99/08/299299908.db2.gz PZPOMADNPMVSOO-HNNXBMFYSA-N 2 0 278.440 2.521 20 0 CFADRP c1ccc2c(c1)CC([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000297688706 200262439 /nfs/dbraw/zinc/26/24/39/200262439.db2.gz PQZIZYFXYYMIKK-UHFFFAOYSA-N 2 0 293.414 2.807 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@@H]1COc2ccccc21 ZINC000248564894 299300890 /nfs/dbraw/zinc/30/08/90/299300890.db2.gz DPXRESWMOMPUHS-LZWOXQAQSA-N 2 0 274.408 2.625 20 0 CFADRP OCCCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297729698 200270857 /nfs/dbraw/zinc/27/08/57/200270857.db2.gz SHTOXVRDQRDGPV-UHFFFAOYSA-N 2 0 299.418 2.519 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343677202 299302641 /nfs/dbraw/zinc/30/26/41/299302641.db2.gz CRGKBBWFTBFXHH-SQWLQELKSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671296522 540687303 /nfs/dbraw/zinc/68/73/03/540687303.db2.gz SDQFOOAGXFFGDO-HZPDHXFCSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000670158135 540694472 /nfs/dbraw/zinc/69/44/72/540694472.db2.gz MLUYNANVUGKRQV-KFWWJZLASA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000161791141 540698981 /nfs/dbraw/zinc/69/89/81/540698981.db2.gz CKFJCMWWDVNYJN-DZGCQCFKSA-N 2 0 274.408 2.612 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000356028963 283552145 /nfs/dbraw/zinc/55/21/45/283552145.db2.gz MWPXQZZSTJTFSG-JKSUJKDBSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H](C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000262047813 540722981 /nfs/dbraw/zinc/72/29/81/540722981.db2.gz ZFARHVJEGCSAPK-LBPRGKRZSA-N 2 0 250.361 2.600 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000177986409 189083746 /nfs/dbraw/zinc/08/37/46/189083746.db2.gz BDXLLIIPYSWFLS-SQWLQELKSA-N 2 0 276.424 2.822 20 0 CFADRP [NH3+]CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000037713083 540732799 /nfs/dbraw/zinc/73/27/99/540732799.db2.gz UCYFSWPQJXYXKN-UHFFFAOYSA-N 2 0 270.376 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C12CCCCC2 ZINC000435879501 240363479 /nfs/dbraw/zinc/36/34/79/240363479.db2.gz KNXNLPPVRJUWDZ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000178420082 189114774 /nfs/dbraw/zinc/11/47/74/189114774.db2.gz NLGGMWQEVGFEGP-UXLLHSPISA-N 2 0 290.451 2.864 20 0 CFADRP [NH3+]CCC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000414747486 540828386 /nfs/dbraw/zinc/82/83/86/540828386.db2.gz UKHSDJNHRLYCCZ-UHFFFAOYSA-N 2 0 268.351 2.568 20 0 CFADRP [NH3+]CCC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000414761124 540828431 /nfs/dbraw/zinc/82/84/31/540828431.db2.gz IBLVBPKMKPKVQK-UHFFFAOYSA-N 2 0 270.779 2.949 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000435877274 240364597 /nfs/dbraw/zinc/36/45/97/240364597.db2.gz PJAWUSXYCLVCPG-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178956855 189157307 /nfs/dbraw/zinc/15/73/07/189157307.db2.gz MQYSTTZTCOCOLL-KRWDZBQOSA-N 2 0 258.409 2.693 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423099877 238200171 /nfs/dbraw/zinc/20/01/71/238200171.db2.gz UMUKPTASJQXWEA-DYEKYZERSA-N 2 0 261.413 2.936 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2ccccc21 ZINC000423098619 238200457 /nfs/dbraw/zinc/20/04/57/238200457.db2.gz CZEBSLTYNNLAGT-FUHWJXTLSA-N 2 0 292.386 2.840 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122882 238212708 /nfs/dbraw/zinc/21/27/08/238212708.db2.gz LKECXXXZDIXRIJ-RRCSTGOVSA-N 2 0 262.397 2.622 20 0 CFADRP COc1cccc(C2(C[NH2+]C3CCC(C[NH3+])CC3)CC2)c1 ZINC000423122334 238212954 /nfs/dbraw/zinc/21/29/54/238212954.db2.gz KGGICEXHOFAPSB-UHFFFAOYSA-N 2 0 288.435 2.834 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nc2[nH]1 ZINC000423123612 238214855 /nfs/dbraw/zinc/21/48/55/238214855.db2.gz NATZJAHXFZCFBJ-OWCLPIDISA-N 2 0 284.407 2.573 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423124403 238215895 /nfs/dbraw/zinc/21/58/95/238215895.db2.gz GOKVXNIYCGLYMM-DZKIICNBSA-N 2 0 291.414 2.512 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423124404 238215920 /nfs/dbraw/zinc/21/59/20/238215920.db2.gz GOKVXNIYCGLYMM-LZWOXQAQSA-N 2 0 291.414 2.512 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nc2[nH]1 ZINC000423123610 238216215 /nfs/dbraw/zinc/21/62/15/238216215.db2.gz NATZJAHXFZCFBJ-BZUAXINKSA-N 2 0 284.407 2.573 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000414925185 540831015 /nfs/dbraw/zinc/83/10/15/540831015.db2.gz LKGSQZWHWXLLEX-FZCLSBEQSA-N 2 0 293.499 2.889 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000414932572 540831949 /nfs/dbraw/zinc/83/19/49/540831949.db2.gz VVYJDBITTAREKF-RYUDHWBXSA-N 2 0 256.752 2.839 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1SC ZINC000414931992 540831981 /nfs/dbraw/zinc/83/19/81/540831981.db2.gz VDNPVRJHUZFSDL-QWHCGFSZSA-N 2 0 280.437 2.777 20 0 CFADRP C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423101633 238202402 /nfs/dbraw/zinc/20/24/02/238202402.db2.gz WDYBUHVIXACJSL-USXIJHARSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423101634 238202543 /nfs/dbraw/zinc/20/25/43/238202543.db2.gz WDYBUHVIXACJSL-XIRDDKMYSA-N 2 0 279.472 2.514 20 0 CFADRP Cc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415047659 540833280 /nfs/dbraw/zinc/83/32/80/540833280.db2.gz FIRIYBKOAJUWMN-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP CSCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423105757 238204221 /nfs/dbraw/zinc/20/42/21/238204221.db2.gz IQVQGCSMKHQZDH-XYPWUTKMSA-N 2 0 276.449 2.922 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423109258 238204819 /nfs/dbraw/zinc/20/48/19/238204819.db2.gz URLOMIQGOOWLJG-KCYZZUKISA-N 2 0 258.409 2.958 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000423111717 238206585 /nfs/dbraw/zinc/20/65/85/238206585.db2.gz JCWCNSOXFPUJEX-IJGSQOGDSA-N 2 0 292.398 2.929 20 0 CFADRP FC1(F)CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423114884 238207716 /nfs/dbraw/zinc/20/77/16/238207716.db2.gz MJUSDRNOLDPBBE-ACJTYDJDSA-N 2 0 258.356 2.685 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1Cl ZINC000423144069 238230140 /nfs/dbraw/zinc/23/01/40/238230140.db2.gz YISKIMXPKZGLDG-KBPBESRZSA-N 2 0 252.789 2.660 20 0 CFADRP C[C@@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)C(C)(C)C ZINC000670264319 540845034 /nfs/dbraw/zinc/84/50/34/540845034.db2.gz PJNDGVUTSBVKBC-AWEZNQCLSA-N 2 0 270.461 2.711 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1=CCCCC1 ZINC000423146714 238233442 /nfs/dbraw/zinc/23/34/42/238233442.db2.gz QBXVWZXDQBUBOV-LBPRGKRZSA-N 2 0 259.397 3.000 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000423151781 238235598 /nfs/dbraw/zinc/23/55/98/238235598.db2.gz DXOBSHFAOBECTQ-OAHLLOKOSA-N 2 0 296.842 2.759 20 0 CFADRP COC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423148920 238236370 /nfs/dbraw/zinc/23/63/70/238236370.db2.gz GTIROEKCTKVUFL-BZPMIXESSA-N 2 0 284.831 2.785 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000423149012 238237713 /nfs/dbraw/zinc/23/77/13/238237713.db2.gz HDQGLJQUQWVBST-PWSUYJOCSA-N 2 0 283.366 2.935 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000423156067 238239094 /nfs/dbraw/zinc/23/90/94/238239094.db2.gz LZLBTXDMBZZIKD-VXGBXAGGSA-N 2 0 250.361 2.616 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000423133831 238223063 /nfs/dbraw/zinc/22/30/63/238223063.db2.gz DDUMAELQIQYORK-ZFWWWQNUSA-N 2 0 266.816 2.908 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423135367 238224457 /nfs/dbraw/zinc/22/44/57/238224457.db2.gz TVHSKVMPXDZZFY-OAHLLOKOSA-N 2 0 280.387 2.547 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423140534 238225635 /nfs/dbraw/zinc/22/56/35/238225635.db2.gz YXBAHENKOUIADV-BSWAZPDLSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1cc(CC[NH2+][C@@H](C)CCC[NH3+])ccc1Cl ZINC000423138001 238226006 /nfs/dbraw/zinc/22/60/06/238226006.db2.gz IQTUYWOWUURDCJ-LBPRGKRZSA-N 2 0 254.805 2.908 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423138773 238226219 /nfs/dbraw/zinc/22/62/19/238226219.db2.gz UAYPPFAKVXKNLY-IUCAKERBSA-N 2 0 276.302 2.643 20 0 CFADRP COCCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423177540 238255650 /nfs/dbraw/zinc/25/56/50/238255650.db2.gz FDBYRFJFKFZJFO-MRXNPFEDSA-N 2 0 280.387 2.635 20 0 CFADRP COc1cccc(C[C@H](NCC[NH3+])c2ccccc2)c1 ZINC000423180085 238258506 /nfs/dbraw/zinc/25/85/06/238258506.db2.gz IALZQTHZEHFBEQ-KRWDZBQOSA-N 2 0 270.376 2.527 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH3+] ZINC000423182661 238260289 /nfs/dbraw/zinc/26/02/89/238260289.db2.gz QXZDAHYDHSPXSR-JTQLQIEISA-N 2 0 276.409 2.513 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423164771 238246840 /nfs/dbraw/zinc/24/68/40/238246840.db2.gz ADWFAMIFVDZNBI-QCEMKRCNSA-N 2 0 262.372 2.931 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2O1 ZINC000423164594 238247124 /nfs/dbraw/zinc/24/71/24/238247124.db2.gz XCYODVDKHOANHO-LQKXBSAESA-N 2 0 274.408 2.876 20 0 CFADRP COCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000423169837 238250803 /nfs/dbraw/zinc/25/08/03/238250803.db2.gz WNUCLAWJYOSCJK-RDJZCZTQSA-N 2 0 290.451 2.741 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000423195932 238267543 /nfs/dbraw/zinc/26/75/43/238267543.db2.gz YNSCDUPKZMQNGS-KCPJHIHWSA-N 2 0 271.364 2.648 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000423193705 238269168 /nfs/dbraw/zinc/26/91/68/238269168.db2.gz VYYZYZNPCJLXOR-ZDUSSCGKSA-N 2 0 298.434 2.872 20 0 CFADRP CC(C)[C@H]1CN(c2cc[nH+]c3c(O)cccc23)CC[N@@H+]1C ZINC000684590858 540871025 /nfs/dbraw/zinc/87/10/25/540871025.db2.gz QVRVQZLRZCPKBT-OAHLLOKOSA-N 2 0 285.391 2.717 20 0 CFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423196502 238271150 /nfs/dbraw/zinc/27/11/50/238271150.db2.gz ZWCRZQOJHOKZCH-RWMBFGLXSA-N 2 0 291.414 2.964 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCCCCC1 ZINC000423199844 238273055 /nfs/dbraw/zinc/27/30/55/238273055.db2.gz KVQIJKKNTCRUPL-QLFBSQMISA-N 2 0 278.440 2.585 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000387438687 540864131 /nfs/dbraw/zinc/86/41/31/540864131.db2.gz RTKZLHRXSJMPBH-AEFFLSMTSA-N 2 0 292.467 2.988 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000423225648 238290035 /nfs/dbraw/zinc/29/00/35/238290035.db2.gz NQTNGSZJKOOCPV-ZNMIVQPWSA-N 2 0 261.413 2.743 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166360892 540889877 /nfs/dbraw/zinc/88/98/77/540889877.db2.gz COPYUUOTUZPCJB-HZPDHXFCSA-N 2 0 274.408 2.590 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166367833 540890248 /nfs/dbraw/zinc/89/02/48/540890248.db2.gz AJWAQUAFZNAPEC-KBAYOESNSA-N 2 0 299.462 2.654 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218743 238285397 /nfs/dbraw/zinc/28/53/97/238285397.db2.gz VXWQMFYDNFJYEH-QAPCUYQASA-N 2 0 288.435 2.606 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423247626 238306336 /nfs/dbraw/zinc/30/63/36/238306336.db2.gz LMORAGNEFPZLNJ-KGLIPLIRSA-N 2 0 276.428 2.648 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000655819331 540905229 /nfs/dbraw/zinc/90/52/29/540905229.db2.gz YLCMIGQRTZYQLP-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254444 238310431 /nfs/dbraw/zinc/31/04/31/238310431.db2.gz YBTWPRJSHJTYHE-NHYWBVRUSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423256223 238312251 /nfs/dbraw/zinc/31/22/51/238312251.db2.gz BMYAWXWATFPSSV-CVEARBPZSA-N 2 0 298.434 2.913 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)o1 ZINC000423255879 238312734 /nfs/dbraw/zinc/31/27/34/238312734.db2.gz DCAKUDJORJIUMY-TZMCWYRMSA-N 2 0 250.386 2.937 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000353495553 540912522 /nfs/dbraw/zinc/91/25/22/540912522.db2.gz IOJNDXBYAQEIOC-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000353634249 540914582 /nfs/dbraw/zinc/91/45/82/540914582.db2.gz VCJCPTHIDAITJS-JKSUJKDBSA-N 2 0 291.439 2.546 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423264366 238320909 /nfs/dbraw/zinc/32/09/09/238320909.db2.gz YKCXALABCSJBPD-AEFFLSMTSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423309955 238364033 /nfs/dbraw/zinc/36/40/33/238364033.db2.gz QXNYBHCSCDJSHD-WQVCFCJDSA-N 2 0 296.842 2.615 20 0 CFADRP C[C@@H]([NH2+]CCN(C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000157460326 540952578 /nfs/dbraw/zinc/95/25/78/540952578.db2.gz IUMORNNULGTWFM-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC3CC3)C1)CC2 ZINC000157727331 540960686 /nfs/dbraw/zinc/96/06/86/540960686.db2.gz CNBAMEMOAWCOCT-RDJZCZTQSA-N 2 0 274.383 2.887 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423298901 238355769 /nfs/dbraw/zinc/35/57/69/238355769.db2.gz PEEQLSOGHWOTMR-UWVGGRQHSA-N 2 0 269.458 2.994 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423299702 238356587 /nfs/dbraw/zinc/35/65/87/238356587.db2.gz QLOUISHCIPSHMS-KGLIPLIRSA-N 2 0 269.392 2.994 20 0 CFADRP CCOc1ccc([C@H](CC)[NH2+]CC2C[NH2+]C2)cc1OCC ZINC000423307309 238361335 /nfs/dbraw/zinc/36/13/35/238361335.db2.gz VNSUZVAOSZASIE-HNNXBMFYSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccc([C@@H](CCC(C)C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305535 238362496 /nfs/dbraw/zinc/36/24/96/238362496.db2.gz RAVBTXUYCUAFDC-QGZVFWFLSA-N 2 0 276.424 2.982 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423328950 238380937 /nfs/dbraw/zinc/38/09/37/238380937.db2.gz MMEHOGNKSREENT-HZPDHXFCSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423328130 238381390 /nfs/dbraw/zinc/38/13/90/238381390.db2.gz SCKFFRQSLPDOLR-MNOVXSKESA-N 2 0 252.789 2.641 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)[C@@H]1CC1(C)C ZINC000666088948 540975658 /nfs/dbraw/zinc/97/56/58/540975658.db2.gz UWKJPADETSDIGJ-KKUMJFAQSA-N 2 0 250.430 2.885 20 0 CFADRP COCC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000532036982 540977521 /nfs/dbraw/zinc/97/75/21/540977521.db2.gz JCGSTQGCPVEQRR-SJORKVTESA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423336486 238388511 /nfs/dbraw/zinc/38/85/11/238388511.db2.gz HAAIUFMOEXYVQX-PXAZEXFGSA-N 2 0 274.383 2.958 20 0 CFADRP C[C@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CCC[NH2+]C1 ZINC000423337497 238388637 /nfs/dbraw/zinc/38/86/37/238388637.db2.gz KFDUEUYKOZIGNI-CVEARBPZSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@]1(C[NH2+][C@@H](C2CC2)C2CCCC2)CCC[NH2+]C1 ZINC000423337501 238388712 /nfs/dbraw/zinc/38/87/12/238388712.db2.gz KFDUEUYKOZIGNI-HZPDHXFCSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1cc([C@H]([NH2+]CCCC[NH3+])C2CC2)ccc1F ZINC000423335953 238388788 /nfs/dbraw/zinc/38/87/88/238388788.db2.gz UKIHLDMNRDWFBB-OAHLLOKOSA-N 2 0 250.361 2.914 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423317110 238369071 /nfs/dbraw/zinc/36/90/71/238369071.db2.gz CFDGQRSQNMNARA-QWHCGFSZSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423315795 238370841 /nfs/dbraw/zinc/37/08/41/238370841.db2.gz AKVDGEAMCJJXGX-HZPDHXFCSA-N 2 0 262.372 2.792 20 0 CFADRP COc1cccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000158994864 540982661 /nfs/dbraw/zinc/98/26/61/540982661.db2.gz PLNALKSSXDBJTI-AWEZNQCLSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]CC1([NH3+])CCC1)C1CC1 ZINC000423318873 238373454 /nfs/dbraw/zinc/37/34/54/238373454.db2.gz DXOZZJLFAVMBHE-MRXNPFEDSA-N 2 0 258.409 2.787 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423339504 238391598 /nfs/dbraw/zinc/39/15/98/238391598.db2.gz IWLOSANNXXBSDW-ZDUSSCGKSA-N 2 0 276.449 2.849 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423345809 238393708 /nfs/dbraw/zinc/39/37/08/238393708.db2.gz ZDNDTFDBTOMRPN-DLBZAZTESA-N 2 0 258.409 2.962 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423347442 238396433 /nfs/dbraw/zinc/39/64/33/238396433.db2.gz QMRPTRJIDQMPJA-GFCCVEGCSA-N 2 0 276.428 2.517 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423346439 238396808 /nfs/dbraw/zinc/39/68/08/238396808.db2.gz PGHLWFGSHHXVIP-JTQLQIEISA-N 2 0 252.308 2.535 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180497549 189258578 /nfs/dbraw/zinc/25/85/78/189258578.db2.gz WCDPUWUTSUXSLE-RHSMWYFYSA-N 2 0 293.430 2.502 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC12CCCCC2 ZINC000313004548 541037685 /nfs/dbraw/zinc/03/76/85/541037685.db2.gz BMWYECKHLMLRCC-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000423462712 238470263 /nfs/dbraw/zinc/47/02/63/238470263.db2.gz DWYMDSRYSLTGDR-DXCKQFNASA-N 2 0 274.408 2.877 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671741766 541063374 /nfs/dbraw/zinc/06/33/74/541063374.db2.gz WRTZHBVHHMAZMZ-VXGBXAGGSA-N 2 0 289.379 2.526 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424386341 238767969 /nfs/dbraw/zinc/76/79/69/238767969.db2.gz XJDOVNVWLXGPJS-MGHWNKPDSA-N 2 0 272.436 2.971 20 0 CFADRP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000671754276 541086585 /nfs/dbraw/zinc/08/65/85/541086585.db2.gz OUXRICNXBWCLMY-NCXUSEDFSA-N 2 0 299.462 2.636 20 0 CFADRP C[C@@H](c1cnccn1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000184704973 189393109 /nfs/dbraw/zinc/39/31/09/189393109.db2.gz QBPZRPFORYVZLA-AWEZNQCLSA-N 2 0 276.428 2.591 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC000666701964 541133508 /nfs/dbraw/zinc/13/35/08/541133508.db2.gz QMMXZZPXRDGMHE-KEYYUXOJSA-N 2 0 292.398 2.667 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000666770070 541142259 /nfs/dbraw/zinc/14/22/59/541142259.db2.gz KGAWVXCYQHZVHZ-BPQIPLTHSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2cnccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000666774601 541142988 /nfs/dbraw/zinc/14/29/88/541142988.db2.gz DENWZKXMLVIQOT-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP [NH3+][C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000666787328 541143712 /nfs/dbraw/zinc/14/37/12/541143712.db2.gz GOFSXMLJQSZXGJ-GUDVDZBRSA-N 2 0 295.430 2.769 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]Cc1cccc2cnccc21 ZINC000666753842 541138768 /nfs/dbraw/zinc/13/87/68/541138768.db2.gz ZDIPOFPBQPYMDZ-UHFFFAOYSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc2cnccc21 ZINC000666937642 541163915 /nfs/dbraw/zinc/16/39/15/541163915.db2.gz PRVXUAHAVFJSPE-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP CC(C)(C)c1nc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000666951980 541165543 /nfs/dbraw/zinc/16/55/43/541165543.db2.gz AUHCIRGGNHASKF-GFCCVEGCSA-N 2 0 279.453 2.672 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000666954619 541167205 /nfs/dbraw/zinc/16/72/05/541167205.db2.gz YYOSGWNXCUNOTB-DOMZBBRYSA-N 2 0 262.372 2.661 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000666957014 541167326 /nfs/dbraw/zinc/16/73/26/541167326.db2.gz CAQUJLCKFBQHPF-JOCQHMNTSA-N 2 0 293.480 2.877 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000666975878 541169539 /nfs/dbraw/zinc/16/95/39/541169539.db2.gz CUCDMIDAWKWDBW-QGZVFWFLSA-N 2 0 294.402 2.904 20 0 CFADRP Fc1cccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1F ZINC000666998296 541171861 /nfs/dbraw/zinc/17/18/61/541171861.db2.gz MOFDRWDWSYEUEO-LBPRGKRZSA-N 2 0 266.335 2.729 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1ccsc1)C[NH+](C)C ZINC000425929876 239137491 /nfs/dbraw/zinc/13/74/91/239137491.db2.gz HETSZRHEZHFSKE-OLZOCXBDSA-N 2 0 254.443 2.857 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)C[NH+](C)C ZINC000425944950 239142533 /nfs/dbraw/zinc/14/25/33/239142533.db2.gz ZLGXBSBPGNWDCY-YALNPMBYSA-N 2 0 260.425 2.966 20 0 CFADRP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667651336 541279058 /nfs/dbraw/zinc/27/90/58/541279058.db2.gz SIYJKKXEELRTKO-UONOGXRCSA-N 2 0 270.380 2.888 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041928 239360696 /nfs/dbraw/zinc/36/06/96/239360696.db2.gz AILMYFDGBKTQHH-SJORKVTESA-N 2 0 288.435 2.756 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667792024 541315909 /nfs/dbraw/zinc/31/59/09/541315909.db2.gz VOIJUGHMBWLUFE-BPQIPLTHSA-N 2 0 288.435 2.905 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667902131 541337816 /nfs/dbraw/zinc/33/78/16/541337816.db2.gz BJSGWTZMALDMFU-PLLDYVMSSA-N 2 0 292.467 2.533 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667902132 541337838 /nfs/dbraw/zinc/33/78/38/541337838.db2.gz BJSGWTZMALDMFU-QRIFCXAISA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668091652 541380587 /nfs/dbraw/zinc/38/05/87/541380587.db2.gz LKLAPKVVWHKXAX-GXSJLCMTSA-N 2 0 273.302 2.602 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(F)c(F)c1F ZINC000668172464 541393138 /nfs/dbraw/zinc/39/31/38/541393138.db2.gz OJRPPEOBMRQWIY-GXFFZTMASA-N 2 0 286.341 2.876 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]CCC(C)(C)C)CCCO1 ZINC000433026965 240083753 /nfs/dbraw/zinc/08/37/53/240083753.db2.gz ITZURCUOZFLQKP-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000432814734 240049031 /nfs/dbraw/zinc/04/90/31/240049031.db2.gz XOZZLYREBPLCRR-SJLPKXTDSA-N 2 0 296.499 2.980 20 0 CFADRP CC1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000432938183 240071057 /nfs/dbraw/zinc/07/10/57/240071057.db2.gz KHSIIYYHOQROAT-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000435372801 240306383 /nfs/dbraw/zinc/30/63/83/240306383.db2.gz SPBSNFMPLIIATE-TZMCWYRMSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435378444 240307521 /nfs/dbraw/zinc/30/75/21/240307521.db2.gz ILNQQDCIXJYSEO-BSWAZPDLSA-N 2 0 258.409 2.534 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cc2c1 ZINC000435373422 240308290 /nfs/dbraw/zinc/30/82/90/240308290.db2.gz NIFBRCYFJWRMSJ-NEPJUHHUSA-N 2 0 274.364 2.611 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000435388534 240309499 /nfs/dbraw/zinc/30/94/99/240309499.db2.gz GHSGVNUEQJGNEQ-INIZCTEOSA-N 2 0 260.425 2.894 20 0 CFADRP CC[N@H+](CCOc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435623042 240333179 /nfs/dbraw/zinc/33/31/79/240333179.db2.gz BLXNSNFKKBAADR-HNNXBMFYSA-N 2 0 292.423 2.538 20 0 CFADRP CC[N@H+](CCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435625132 240336250 /nfs/dbraw/zinc/33/62/50/240336250.db2.gz KTSXGKOGPPGHPX-QGZVFWFLSA-N 2 0 288.435 2.628 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435731145 240343606 /nfs/dbraw/zinc/34/36/06/240343606.db2.gz IMVPWJOGSTYCEV-CUBALJKWSA-N 2 0 262.372 2.611 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCC[NH2+]CC1 ZINC000435431653 240314183 /nfs/dbraw/zinc/31/41/83/240314183.db2.gz JRSVDVOHWXZHMP-MRXNPFEDSA-N 2 0 288.435 2.974 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435446837 240314870 /nfs/dbraw/zinc/31/48/70/240314870.db2.gz MHDWWXKECFXPBB-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP COc1ccc([C@H](C)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435435480 240315704 /nfs/dbraw/zinc/31/57/04/240315704.db2.gz BKUGTZQBJCYADQ-ZBFHGGJFSA-N 2 0 276.424 2.873 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000437791600 240596222 /nfs/dbraw/zinc/59/62/22/240596222.db2.gz FTZABFDMBXHFOI-UHFFFAOYSA-N 2 0 274.408 2.835 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166478545 541459742 /nfs/dbraw/zinc/45/97/42/541459742.db2.gz DHLAMJORQDELLY-IAGOWNOFSA-N 2 0 281.488 2.715 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000275798625 193130651 /nfs/dbraw/zinc/13/06/51/193130651.db2.gz ZRDRAIKMUFOWAQ-UONOGXRCSA-N 2 0 264.388 2.813 20 0 CFADRP CSc1ccccc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000442860867 241010948 /nfs/dbraw/zinc/01/09/48/241010948.db2.gz XBWSQJARAATYDX-ZDUSSCGKSA-N 2 0 282.453 2.637 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442926100 241021241 /nfs/dbraw/zinc/02/12/41/241021241.db2.gz XTHNEOPKIXHQDD-HNNXBMFYSA-N 2 0 298.434 2.946 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442927979 241022007 /nfs/dbraw/zinc/02/20/07/241022007.db2.gz OWXSNXOUWWEEJC-HUUCEWRRSA-N 2 0 276.424 2.860 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057385 241032388 /nfs/dbraw/zinc/03/23/88/241032388.db2.gz GOVJXZSKJWPYRW-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1cccc2c(NC[C@@H](C)[NH+](C)C)c(C)c[nH+]c12 ZINC000443450803 241063610 /nfs/dbraw/zinc/06/36/10/241063610.db2.gz GEFLFZNBVQPXCE-CYBMUJFWSA-N 2 0 257.381 2.636 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC000444615617 241154591 /nfs/dbraw/zinc/15/45/91/241154591.db2.gz ALKSWHWDYCJFSI-DLBZAZTESA-N 3 0 281.488 2.667 20 0 CFADRP CO[C@@]1(C)C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000446952307 241340210 /nfs/dbraw/zinc/34/02/10/241340210.db2.gz NAAZUJSRHCTHJM-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc([C@@H]([NH2+]CCOCC[NH+](C)C)C2CC2)ccc1F ZINC000447598607 241391578 /nfs/dbraw/zinc/39/15/78/241391578.db2.gz VXSKXQXXSSZUQA-KRWDZBQOSA-N 2 0 294.414 2.753 20 0 CFADRP CC(C)CC[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000449218545 241771234 /nfs/dbraw/zinc/77/12/34/241771234.db2.gz JKVIKJOVKJTMFG-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP CCCc1ncc(CNC2CC[NH+](C(C)(C)C)CC2)o1 ZINC000449613298 242067746 /nfs/dbraw/zinc/06/77/46/242067746.db2.gz RKUNNCHFTMISCP-UHFFFAOYSA-N 2 0 279.428 2.980 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)CCO1 ZINC000449526920 242003132 /nfs/dbraw/zinc/00/31/32/242003132.db2.gz FXXWVYJOYQFDLU-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP CCc1nn(C)c(CC)c1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449529173 242006688 /nfs/dbraw/zinc/00/66/88/242006688.db2.gz VJLXJOVXQJMUTA-UHFFFAOYSA-N 2 0 294.487 2.755 20 0 CFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000674303017 541557557 /nfs/dbraw/zinc/55/75/57/541557557.db2.gz SPAOGTHQNJXTOB-QZTJIDSGSA-N 2 0 288.435 2.619 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(O)CCCC1 ZINC000449737547 242127109 /nfs/dbraw/zinc/12/71/09/242127109.db2.gz SCSLPEKAPXKUMT-GJZGRUSLSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCOC(C)(C)C)CC1 ZINC000674905142 541604808 /nfs/dbraw/zinc/60/48/08/541604808.db2.gz HJABDIHSABRGNU-UHFFFAOYSA-N 2 0 270.461 2.996 20 0 CFADRP CC(C)(C)OCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000674909794 541605492 /nfs/dbraw/zinc/60/54/92/541605492.db2.gz UWZQYNIJMKNGSH-CYBMUJFWSA-N 2 0 265.401 2.794 20 0 CFADRP CCc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)cc[nH+]1 ZINC000450325007 242356526 /nfs/dbraw/zinc/35/65/26/242356526.db2.gz RWEAOYOVCZIRKG-INIZCTEOSA-N 2 0 259.397 2.709 20 0 CFADRP CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450347976 242369850 /nfs/dbraw/zinc/36/98/50/242369850.db2.gz JMWWVTIJTFFSHR-DLBZAZTESA-N 2 0 282.472 2.735 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@H](C)O)CC1 ZINC000450708684 242555099 /nfs/dbraw/zinc/55/50/99/242555099.db2.gz ARKDJFUTXRZZDM-HNNXBMFYSA-N 2 0 270.461 2.591 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423399176 299380787 /nfs/dbraw/zinc/38/07/87/299380787.db2.gz USJYSVBOGUBWKG-MELADBBJSA-N 2 0 261.413 2.673 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1COc2ccccc21 ZINC000358246076 299387358 /nfs/dbraw/zinc/38/73/58/299387358.db2.gz DCDLIDALDJUNGD-IVSAIRAKSA-N 2 0 286.419 2.768 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccncn1 ZINC000453067236 296121683 /nfs/dbraw/zinc/12/16/83/296121683.db2.gz XJUQKXMGJPOMLT-LSDHHAIUSA-N 2 0 276.428 2.782 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccnn1C ZINC000447535191 296121931 /nfs/dbraw/zinc/12/19/31/296121931.db2.gz DJFFWJAUBHTPKH-HUUCEWRRSA-N 2 0 278.444 2.725 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742810 541687464 /nfs/dbraw/zinc/68/74/64/541687464.db2.gz WQBGLKIFYKIEPH-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000675765726 541689731 /nfs/dbraw/zinc/68/97/31/541689731.db2.gz OGKYLBWFGITJBK-NJAFHUGGSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000675765724 541689746 /nfs/dbraw/zinc/68/97/46/541689746.db2.gz OGKYLBWFGITJBK-BPQIPLTHSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675765345 541689820 /nfs/dbraw/zinc/68/98/20/541689820.db2.gz CQHUFJSAYNQCQE-HZPDHXFCSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncs1 ZINC000358062527 296122021 /nfs/dbraw/zinc/12/20/21/296122021.db2.gz NANZUHHGAKQASD-HZSPNIEDSA-N 2 0 297.468 2.683 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cn1 ZINC000675874413 541700941 /nfs/dbraw/zinc/70/09/41/541700941.db2.gz QLCXTXNTMFRJMG-ZIAGYGMSSA-N 2 0 278.444 2.845 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000453056977 243379839 /nfs/dbraw/zinc/37/98/39/243379839.db2.gz CYYCBSPVCQTWGB-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1csc(C)c1 ZINC000453093757 243397453 /nfs/dbraw/zinc/39/74/53/243397453.db2.gz PFCBLUDVEDCDJW-UKRRQHHQSA-N 2 0 282.453 2.818 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000675897749 541705800 /nfs/dbraw/zinc/70/58/00/541705800.db2.gz YLLOBWVWUFWMJB-WMZOPIPTSA-N 2 0 287.451 2.669 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414755064 284084637 /nfs/dbraw/zinc/08/46/37/284084637.db2.gz OOXHGKVBICMOAD-LSDHHAIUSA-N 2 0 256.434 2.641 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000423120581 296133032 /nfs/dbraw/zinc/13/30/32/296133032.db2.gz HDBVRMWSFGOHIQ-CKYFFXLPSA-N 2 0 264.335 2.553 20 0 CFADRP CC(C)CCC[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000276150254 193226108 /nfs/dbraw/zinc/22/61/08/193226108.db2.gz DUEGLUFQNFBVSE-SFHVURJKSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000177315805 296146837 /nfs/dbraw/zinc/14/68/37/296146837.db2.gz BBVMMJRYUQJILZ-UONOGXRCSA-N 2 0 295.858 2.627 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1C[NH2+]C1 ZINC000423158582 296162432 /nfs/dbraw/zinc/16/24/32/296162432.db2.gz OFWJUNUKTKUAJB-SCVCMEIPSA-N 2 0 264.335 2.695 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000459339536 245145962 /nfs/dbraw/zinc/14/59/62/245145962.db2.gz BTMKXZLLDWAZSW-QQFBHYJXSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1ccc(C[C@@H](C)[N@H+](C)CCc2cncn2C)cc1 ZINC000459345374 245150275 /nfs/dbraw/zinc/15/02/75/245150275.db2.gz SUXFOQKHIVYREJ-OAHLLOKOSA-N 2 0 271.408 2.834 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459373997 245159493 /nfs/dbraw/zinc/15/94/93/245159493.db2.gz ITRZHBNCFGGWDM-HOTGVXAUSA-N 2 0 260.425 2.968 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCc2ccc(Cl)cc2)CCCN1C ZINC000459479210 245193240 /nfs/dbraw/zinc/19/32/40/245193240.db2.gz JZFSXJIVJPXSEE-DOMZBBRYSA-N 2 0 266.816 2.955 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459459318 245187290 /nfs/dbraw/zinc/18/72/90/245187290.db2.gz ZWRYKHPJHQDGSN-UHFFFAOYSA-N 2 0 288.439 2.564 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657767 245261170 /nfs/dbraw/zinc/26/11/70/245261170.db2.gz JCGUDJKEZLYTMO-ZDUSSCGKSA-N 2 0 273.380 2.629 20 0 CFADRP CCOC1(C)CN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000459617632 245242513 /nfs/dbraw/zinc/24/25/13/245242513.db2.gz HTVSVMHFJBZWAR-UHFFFAOYSA-N 2 0 277.393 2.545 20 0 CFADRP COCc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459726977 245288135 /nfs/dbraw/zinc/28/81/35/245288135.db2.gz GUEYZSZDZJOBIA-OAHLLOKOSA-N 2 0 276.424 2.655 20 0 CFADRP Cc1ccsc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459738704 245295975 /nfs/dbraw/zinc/29/59/75/245295975.db2.gz SEODBZUADSVAGJ-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@H+](C)CCCn1ccnc1 ZINC000459753007 245305983 /nfs/dbraw/zinc/30/59/83/245305983.db2.gz CPIHQVAGLKKABC-CQSZACIVSA-N 2 0 275.371 2.975 20 0 CFADRP Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)c(C[NH+](C)C)c1 ZINC000237037392 189859972 /nfs/dbraw/zinc/85/99/72/189859972.db2.gz XRENXFUXLZOYGX-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP CC[NH+]1CCC(NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000019913211 372208796 /nfs/dbraw/zinc/20/87/96/372208796.db2.gz GEKUYQPUQOVTAX-UHFFFAOYSA-N 2 0 289.467 2.582 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000019905801 372206267 /nfs/dbraw/zinc/20/62/67/372206267.db2.gz LXENMMZQSSVMBQ-CYBMUJFWSA-N 2 0 264.413 2.934 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000019905802 372206753 /nfs/dbraw/zinc/20/67/53/372206753.db2.gz LXENMMZQSSVMBQ-ZDUSSCGKSA-N 2 0 264.413 2.934 20 0 CFADRP CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000034819718 372514627 /nfs/dbraw/zinc/51/46/27/372514627.db2.gz AIRDEYNROYJVCX-CYBMUJFWSA-N 2 0 250.386 2.688 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000037644102 372682063 /nfs/dbraw/zinc/68/20/63/372682063.db2.gz GBVHQBVUOSSNLU-HOCLYGCPSA-N 2 0 276.424 2.645 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)c1 ZINC000037679004 372689201 /nfs/dbraw/zinc/68/92/01/372689201.db2.gz CPAHWZATFRJOOC-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000333288278 205186548 /nfs/dbraw/zinc/18/65/48/205186548.db2.gz NYFCUXPDTYCWKZ-HZSPNIEDSA-N 2 0 279.428 2.592 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccsc1 ZINC000042600022 372935938 /nfs/dbraw/zinc/93/59/38/372935938.db2.gz CVHLSDDYILWNPC-DYEKYZERSA-N 2 0 252.427 2.609 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2ccnc2)cc1 ZINC000045663826 373026679 /nfs/dbraw/zinc/02/66/79/373026679.db2.gz ZKWNDHUXWAERAR-OAHLLOKOSA-N 2 0 286.423 2.865 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000045664131 373027403 /nfs/dbraw/zinc/02/74/03/373027403.db2.gz FBNVRKZJICYAQI-ZDUSSCGKSA-N 2 0 262.397 2.614 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000051694061 373406232 /nfs/dbraw/zinc/40/62/32/373406232.db2.gz DRPNRJFZNRGBCD-IUDNXUCKSA-N 2 0 276.424 2.876 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000053035143 373460831 /nfs/dbraw/zinc/46/08/31/373460831.db2.gz KEAPEJJCIVWQTP-CQSZACIVSA-N 2 0 254.377 2.881 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000054243432 373509076 /nfs/dbraw/zinc/50/90/76/373509076.db2.gz CWSWSVQPSVQHDJ-JTQLQIEISA-N 2 0 267.442 2.752 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243023 373509896 /nfs/dbraw/zinc/50/98/96/373509896.db2.gz VFEPSXMOZIXQJC-HOTGVXAUSA-N 2 0 260.425 2.857 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000063165929 373788711 /nfs/dbraw/zinc/78/87/11/373788711.db2.gz AZADZYAGMDJMJZ-UHFFFAOYSA-N 2 0 285.391 2.773 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000063159212 373789233 /nfs/dbraw/zinc/78/92/33/373789233.db2.gz HCAXRBRDDKJSCV-UHFFFAOYSA-N 2 0 252.427 2.796 20 0 CFADRP COc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197686 373795558 /nfs/dbraw/zinc/79/55/58/373795558.db2.gz VAUQRPQVPPTRSV-MRXNPFEDSA-N 2 0 274.408 2.659 20 0 CFADRP Fc1cccc(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197707 373795585 /nfs/dbraw/zinc/79/55/85/373795585.db2.gz QUHPQUYTABLQNR-MRXNPFEDSA-N 2 0 280.362 2.929 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000063197709 373795610 /nfs/dbraw/zinc/79/56/10/373795610.db2.gz OEGQSPIIQLXMSG-INIZCTEOSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@H](c1ccccn1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197566 373795630 /nfs/dbraw/zinc/79/56/30/373795630.db2.gz LVDSSLUEEXUCSI-CZUORRHYSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+](C)C ZINC000489003634 245918987 /nfs/dbraw/zinc/91/89/87/245918987.db2.gz NWVOIISPUYQCHQ-NSHDSACASA-N 2 0 261.344 2.984 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CC2(O)CCCC2)C1 ZINC000571432829 383694880 /nfs/dbraw/zinc/69/48/80/383694880.db2.gz WKARSAGMHFHRFJ-HOTGVXAUSA-N 2 0 282.472 2.639 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OCC)c2)CC1 ZINC000066152294 373916701 /nfs/dbraw/zinc/91/67/01/373916701.db2.gz XMJSGSQTONYIHE-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000070149611 374130312 /nfs/dbraw/zinc/13/03/12/374130312.db2.gz MENWEXDPUAVAQW-MRXNPFEDSA-N 2 0 284.407 2.576 20 0 CFADRP Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)o1 ZINC000069711556 374089776 /nfs/dbraw/zinc/08/97/76/374089776.db2.gz WGYNWYKMYYVIBI-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1F ZINC000070169656 374135332 /nfs/dbraw/zinc/13/53/32/374135332.db2.gz QLCWTULNUNHCIE-CYBMUJFWSA-N 2 0 250.361 2.695 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000070174009 374139381 /nfs/dbraw/zinc/13/93/81/374139381.db2.gz HBVCMRCMPNBQHD-KGLIPLIRSA-N 2 0 264.438 2.838 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490761503 246022332 /nfs/dbraw/zinc/02/23/32/246022332.db2.gz SILOMVIXLPJDRW-CQSZACIVSA-N 2 0 260.425 2.995 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070188936 374144243 /nfs/dbraw/zinc/14/42/43/374144243.db2.gz YUQVQFVWNGCJCC-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](C)C[NH+](C)C ZINC000571473152 383698588 /nfs/dbraw/zinc/69/85/88/383698588.db2.gz XKSQTHHAFCINLM-CJNGLKHVSA-N 2 0 276.424 2.860 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499119 374187786 /nfs/dbraw/zinc/18/77/86/374187786.db2.gz PAMFDJPQWFAQIM-HNNXBMFYSA-N 2 0 258.409 2.607 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000070534422 374189415 /nfs/dbraw/zinc/18/94/15/374189415.db2.gz VTXUKHHGESMWTM-LLVKDONJSA-N 2 0 254.324 2.526 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CCOCC2)C1 ZINC000072965580 374306932 /nfs/dbraw/zinc/30/69/32/374306932.db2.gz WKLYZSSQEZWKJO-FUHWJXTLSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H](C[NH2+]C/C=C\c1ccc(F)cc1F)C[NH+](C)C ZINC000491557200 246079403 /nfs/dbraw/zinc/07/94/03/246079403.db2.gz BQEGBTGMRBEOHB-RXNFCKPNSA-N 2 0 268.351 2.765 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2C3CCC2CC3)cc1 ZINC000678131728 541958545 /nfs/dbraw/zinc/95/85/45/541958545.db2.gz MWZKEKAJNDBZQZ-UHFFFAOYSA-N 2 0 274.408 2.754 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)COC ZINC000678161509 541964850 /nfs/dbraw/zinc/96/48/50/541964850.db2.gz HNZFPFNGMNFHFO-AWEZNQCLSA-N 2 0 264.413 2.605 20 0 CFADRP CC(C)[NH2+][C@@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000678222997 541975572 /nfs/dbraw/zinc/97/55/72/541975572.db2.gz IYYMTYCDMAAVQE-QGZVFWFLSA-N 2 0 298.434 2.835 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000089145323 374873394 /nfs/dbraw/zinc/87/33/94/374873394.db2.gz CLRHAOPXTAHJQA-NVXWUHKLSA-N 2 0 281.488 2.748 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000089552173 374922716 /nfs/dbraw/zinc/92/27/16/374922716.db2.gz UYCHSKIIGSUVFY-WBMJQRKESA-N 2 0 298.377 2.664 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)[C@H](C)C1 ZINC000090724223 375026317 /nfs/dbraw/zinc/02/63/17/375026317.db2.gz VLDQBMUHGLDPHJ-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@H](C)C1 ZINC000090724222 375026577 /nfs/dbraw/zinc/02/65/77/375026577.db2.gz VLDQBMUHGLDPHJ-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091284909 375048033 /nfs/dbraw/zinc/04/80/33/375048033.db2.gz ZRRLUTDTRCUUOS-QGZVFWFLSA-N 2 0 278.440 2.942 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000092746315 375148142 /nfs/dbraw/zinc/14/81/42/375148142.db2.gz PJBFMMAOJFIDRU-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccnc2)CC1 ZINC000092746208 375149051 /nfs/dbraw/zinc/14/90/51/375149051.db2.gz BURFYUDFBGMYKD-CQSZACIVSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000092561533 375122974 /nfs/dbraw/zinc/12/29/74/375122974.db2.gz YTVFBWOGXQORFW-CVEARBPZSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000092561536 375123156 /nfs/dbraw/zinc/12/31/56/375123156.db2.gz YTVFBWOGXQORFW-HOTGVXAUSA-N 2 0 268.445 2.515 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450837 375244171 /nfs/dbraw/zinc/24/41/71/375244171.db2.gz JBVIANOBHKTHEN-KSZLIROESA-N 2 0 288.435 2.748 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452919 375244267 /nfs/dbraw/zinc/24/42/67/375244267.db2.gz RVVJPDZAQSPMTE-KURKYZTESA-N 2 0 288.435 2.884 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093461499 375246076 /nfs/dbraw/zinc/24/60/76/375246076.db2.gz QHRKQNMRZVQAAF-ZACQAIPSSA-N 2 0 280.456 2.846 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571581927 383707358 /nfs/dbraw/zinc/70/73/58/383707358.db2.gz VLULZDLWNJGEMA-HUUCEWRRSA-N 2 0 262.397 2.542 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000093491486 375253973 /nfs/dbraw/zinc/25/39/73/375253973.db2.gz VNCVPWLAWITUSC-YESZJQIVSA-N 2 0 273.424 2.790 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000093496738 375254061 /nfs/dbraw/zinc/25/40/61/375254061.db2.gz PRXVVLFRLSHQBQ-SJORKVTESA-N 2 0 281.488 2.763 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000093496642 375254676 /nfs/dbraw/zinc/25/46/76/375254676.db2.gz WMANBQWLGMDZNR-UKRRQHHQSA-N 2 0 290.407 2.816 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571581925 383707656 /nfs/dbraw/zinc/70/76/56/383707656.db2.gz VLULZDLWNJGEMA-GJZGRUSLSA-N 2 0 262.397 2.542 20 0 CFADRP Cn1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000093688481 375297061 /nfs/dbraw/zinc/29/70/61/375297061.db2.gz HQHKVPCDQWKKPT-UHFFFAOYSA-N 2 0 263.429 2.579 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494976716 246836294 /nfs/dbraw/zinc/83/62/94/246836294.db2.gz GGRFFIVYLMWMFD-OAHLLOKOSA-N 2 0 270.486 2.793 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000093516414 375261927 /nfs/dbraw/zinc/26/19/27/375261927.db2.gz HNEBHUOXFTXNSB-GOEBONIOSA-N 2 0 261.413 2.790 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000093516412 375262588 /nfs/dbraw/zinc/26/25/88/375262588.db2.gz HNEBHUOXFTXNSB-HOCLYGCPSA-N 2 0 261.413 2.790 20 0 CFADRP C[N@@H+](Cc1c(F)cccc1Cl)CC1CC[NH2+]CC1 ZINC000094011019 375335441 /nfs/dbraw/zinc/33/54/41/375335441.db2.gz RYQSDRXEXWBLJS-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011008 375335821 /nfs/dbraw/zinc/33/58/21/375335821.db2.gz GGGOMULSSHXHLU-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP CC1CCC(C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000094070736 375340105 /nfs/dbraw/zinc/34/01/05/375340105.db2.gz FSZRTARMWVAAAG-UHFFFAOYSA-N 2 0 268.445 2.643 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338797 375352033 /nfs/dbraw/zinc/35/20/33/375352033.db2.gz SYIMJFIBMBYVMD-CJNGLKHVSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000094341713 375354299 /nfs/dbraw/zinc/35/42/99/375354299.db2.gz WMDGDMMKLWJUFE-KSSFIOAISA-N 2 0 284.403 2.888 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000094422470 375359998 /nfs/dbraw/zinc/35/99/98/375359998.db2.gz MYVZZPMCJAKZHW-ZDUSSCGKSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678295197 542001843 /nfs/dbraw/zinc/00/18/43/542001843.db2.gz MQCJWOZUYPDGHT-OAHLLOKOSA-N 2 0 290.455 2.886 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000500993791 247099912 /nfs/dbraw/zinc/09/99/12/247099912.db2.gz RDCCKVRIXKLJAU-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[C@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513207881 247219199 /nfs/dbraw/zinc/21/91/99/247219199.db2.gz IAYLYXVEENAXEZ-KRWDZBQOSA-N 2 0 282.472 2.924 20 0 CFADRP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000513340247 247221480 /nfs/dbraw/zinc/22/14/80/247221480.db2.gz ICXMFDZNMGPUBC-WKILWMFISA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678594882 542048393 /nfs/dbraw/zinc/04/83/93/542048393.db2.gz PLTHXQACIXKTDF-OIISXLGYSA-N 2 0 282.472 2.758 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@@H](C)C1 ZINC000678598811 542049042 /nfs/dbraw/zinc/04/90/42/542049042.db2.gz TYXFMGSZFNHMLL-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)C1CC[NH+](C)CC1 ZINC000678599409 542049071 /nfs/dbraw/zinc/04/90/71/542049071.db2.gz BUQVLQVFUCKODT-CYBMUJFWSA-N 2 0 274.408 2.537 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000678600328 542050317 /nfs/dbraw/zinc/05/03/17/542050317.db2.gz KRJWVVYNOCUYQM-HOTGVXAUSA-N 2 0 274.408 2.720 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868832 375803916 /nfs/dbraw/zinc/80/39/16/375803916.db2.gz GQWNTCRCARMPKQ-IAGOWNOFSA-N 2 0 258.409 2.965 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000111611919 375858948 /nfs/dbraw/zinc/85/89/48/375858948.db2.gz HIYBDKLNOWJHNI-ZDUSSCGKSA-N 2 0 262.397 2.563 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC000678772542 542068055 /nfs/dbraw/zinc/06/80/55/542068055.db2.gz NANQUIJBBOVUKM-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](CCCC[N@@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000118401378 376293815 /nfs/dbraw/zinc/29/38/15/376293815.db2.gz PTYJDNFZDMPFSZ-UHFFFAOYSA-N 2 0 298.434 2.821 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000119997017 376524334 /nfs/dbraw/zinc/52/43/34/376524334.db2.gz YMWMZOHMPGWWST-MRXNPFEDSA-N 2 0 276.424 2.511 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2C)[C@H](C)C1 ZINC000120400397 376608717 /nfs/dbraw/zinc/60/87/17/376608717.db2.gz OAAIYIVVVYYKNA-HIFRSBDPSA-N 2 0 290.411 2.584 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000120850522 376706397 /nfs/dbraw/zinc/70/63/97/376706397.db2.gz AFYVBKRQHAXQFT-WMZOPIPTSA-N 2 0 289.467 2.611 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000679014913 542109802 /nfs/dbraw/zinc/10/98/02/542109802.db2.gz BZUJSXFGUMKHSL-YCPHGPKFSA-N 2 0 282.472 2.779 20 0 CFADRP CCCn1c2ccccc2nc1NCc1ncc[nH]1 ZINC000679117358 542122129 /nfs/dbraw/zinc/12/21/29/542122129.db2.gz FMSUDBRQGJVMFP-UHFFFAOYSA-N 2 0 255.325 2.782 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CCC(COC)CC1 ZINC000449219581 284603763 /nfs/dbraw/zinc/60/37/63/284603763.db2.gz NUCSDZHRYNLDLF-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C(CC1CC[NH+](CC2CC2)CC1)C[NH+]1CCCC1 ZINC000121587534 376864703 /nfs/dbraw/zinc/86/47/03/376864703.db2.gz PGNGZTBLXWFYEH-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000123729686 376971941 /nfs/dbraw/zinc/97/19/41/376971941.db2.gz SNXSXBRBKOOHRJ-AWEZNQCLSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CCOCC1 ZINC000123729973 376972260 /nfs/dbraw/zinc/97/22/60/376972260.db2.gz SNXSXBRBKOOHRJ-CQSZACIVSA-N 2 0 276.424 2.653 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422735392 284608436 /nfs/dbraw/zinc/60/84/36/284608436.db2.gz UPJAWFXBTJIYQK-FHERZECASA-N 3 0 269.477 2.604 20 0 CFADRP COc1ccc(C)cc1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000123685048 376966947 /nfs/dbraw/zinc/96/69/47/376966947.db2.gz GZDFWQCCCHOMNJ-OAHLLOKOSA-N 2 0 264.413 2.809 20 0 CFADRP COc1cc(CNCCC[NH+]2CCCCC2)ccc1C ZINC000124305906 377035637 /nfs/dbraw/zinc/03/56/37/377035637.db2.gz XHFYBEMSFAUIJP-UHFFFAOYSA-N 2 0 276.424 2.969 20 0 CFADRP COCCN(C)CC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000124799781 377090478 /nfs/dbraw/zinc/09/04/78/377090478.db2.gz IGYVUIWLZQERBW-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cn1 ZINC000125460053 377158812 /nfs/dbraw/zinc/15/88/12/377158812.db2.gz YPFICVBJROQQCC-CQSZACIVSA-N 2 0 278.444 2.847 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000125631797 377177333 /nfs/dbraw/zinc/17/73/33/377177333.db2.gz NDFDLLYPFDGUQQ-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000126542693 377232745 /nfs/dbraw/zinc/23/27/45/377232745.db2.gz SDNFORMHVLPRFV-MLGOLLRUSA-N 2 0 290.838 2.881 20 0 CFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000128424265 377337178 /nfs/dbraw/zinc/33/71/78/377337178.db2.gz DOLRATZZIGDXRF-QGZVFWFLSA-N 2 0 286.423 2.678 20 0 CFADRP CCN(CC)[C@H](C)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000127678929 377295693 /nfs/dbraw/zinc/29/56/93/377295693.db2.gz HNWHOYUWXQSHST-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCN(C)c2ccccc2F)CC[N@@H+]1C ZINC000129087062 377381089 /nfs/dbraw/zinc/38/10/89/377381089.db2.gz MAZBRDKXQRCLMX-GJZGRUSLSA-N 2 0 293.430 2.724 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)o1 ZINC000128703638 377352988 /nfs/dbraw/zinc/35/29/88/377352988.db2.gz SIIICBWBJQWNGG-OAHLLOKOSA-N 2 0 293.455 2.520 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)o1 ZINC000128703839 377353175 /nfs/dbraw/zinc/35/31/75/377353175.db2.gz SIIICBWBJQWNGG-HNNXBMFYSA-N 2 0 293.455 2.520 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000129435886 377427943 /nfs/dbraw/zinc/42/79/43/377427943.db2.gz OKMWSOPECUXXFP-QGZVFWFLSA-N 2 0 290.451 2.874 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000129500728 377436349 /nfs/dbraw/zinc/43/63/49/377436349.db2.gz BQDLDQLNPOSTQA-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129689252 377461128 /nfs/dbraw/zinc/46/11/28/377461128.db2.gz HPCNGIGMPSJTHL-MELADBBJSA-N 2 0 262.397 2.829 20 0 CFADRP COC(C)(C)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000336805932 284636990 /nfs/dbraw/zinc/63/69/90/284636990.db2.gz XGOVIDDZSHFYKY-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679334115 542170860 /nfs/dbraw/zinc/17/08/60/542170860.db2.gz HOQJHFGIFNRWHB-IXDOHACOSA-N 2 0 284.488 2.885 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000350265996 284639229 /nfs/dbraw/zinc/63/92/29/284639229.db2.gz LXHKIVZWZVMNAF-JKSUJKDBSA-N 2 0 270.461 2.761 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000130309594 377537054 /nfs/dbraw/zinc/53/70/54/377537054.db2.gz RUQZAATZMXFCQW-ABAIWWIYSA-N 2 0 268.351 2.580 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(O)cc1)C(C)(C)C ZINC000679393552 542187530 /nfs/dbraw/zinc/18/75/30/542187530.db2.gz BRINLXJZKUQZHG-HNNXBMFYSA-N 2 0 264.413 2.848 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)N(C)C1CC1 ZINC000130827621 377617341 /nfs/dbraw/zinc/61/73/41/377617341.db2.gz RNQAERZFHQXHIX-BBRMVZONSA-N 2 0 258.409 2.616 20 0 CFADRP CC(C)[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000131501460 377720333 /nfs/dbraw/zinc/72/03/33/377720333.db2.gz XBDYYBXCIUTJMT-MRXNPFEDSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000131546197 377726845 /nfs/dbraw/zinc/72/68/45/377726845.db2.gz XPZIMKVLDJBEFB-CHWSQXEVSA-N 2 0 271.364 2.511 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)on2)cc1 ZINC000131713050 377750334 /nfs/dbraw/zinc/75/03/34/377750334.db2.gz YRRYACRZKVISMJ-UONOGXRCSA-N 2 0 285.391 2.819 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2)[C@H](C)C1 ZINC000132254023 377818654 /nfs/dbraw/zinc/81/86/54/377818654.db2.gz QDMPGUXENRDRIK-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533961 383722567 /nfs/dbraw/zinc/72/25/67/383722567.db2.gz NDHLZHCXIWNEOB-CQSZACIVSA-N 2 0 257.381 2.551 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)CC(C)C ZINC000132920828 377887407 /nfs/dbraw/zinc/88/74/07/377887407.db2.gz YLEOOSCAQQFHSW-GVDBMIGSSA-N 2 0 283.504 2.673 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1C ZINC000133342479 377922285 /nfs/dbraw/zinc/92/22/85/377922285.db2.gz SNJDDGBRIUMTLK-OAHLLOKOSA-N 2 0 264.413 2.809 20 0 CFADRP Cc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1F ZINC000133340752 377922306 /nfs/dbraw/zinc/92/23/06/377922306.db2.gz RGAQEYJPAKXIOI-OAHLLOKOSA-N 2 0 252.377 2.939 20 0 CFADRP CCOc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000133339916 377922952 /nfs/dbraw/zinc/92/29/52/377922952.db2.gz HMZYIFDDTNPCHV-MRXNPFEDSA-N 2 0 264.413 2.891 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CC[NH+](C)C ZINC000133911095 377967092 /nfs/dbraw/zinc/96/70/92/377967092.db2.gz BSVQVARALVPWCC-QWHCGFSZSA-N 2 0 252.377 2.687 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000133968621 377972579 /nfs/dbraw/zinc/97/25/79/377972579.db2.gz KMLQFHLXRCKCLG-SYQHCUMBSA-N 2 0 256.459 2.590 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000134002956 377974914 /nfs/dbraw/zinc/97/49/14/377974914.db2.gz LLUFTDRBPFMVBL-IAGOWNOFSA-N 2 0 280.456 2.681 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCCOc1ccccc1 ZINC000571772563 383725606 /nfs/dbraw/zinc/72/56/06/383725606.db2.gz DBBIKKWYUQBGBP-LSDHHAIUSA-N 2 0 262.397 2.657 20 0 CFADRP CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000679750976 542234476 /nfs/dbraw/zinc/23/44/76/542234476.db2.gz KUTVECVAWOGRNO-KRWDZBQOSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]1CN(Cc2cccc(Cl)c2F)CC[C@@H]1[NH3+] ZINC000135907391 378169769 /nfs/dbraw/zinc/16/97/69/378169769.db2.gz KBNQLJKCHKNMDA-SKDRFNHKSA-N 2 0 256.752 2.648 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150971916 378283920 /nfs/dbraw/zinc/28/39/20/378283920.db2.gz XZTWACQZJZBQGY-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC(F)(F)C1 ZINC000529540558 383727431 /nfs/dbraw/zinc/72/74/31/383727431.db2.gz FGJIYHDTXJPHJU-UHTWSYAYSA-N 2 0 260.372 2.883 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000151629534 378342699 /nfs/dbraw/zinc/34/26/99/378342699.db2.gz WFURREWVZQSVCE-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP C(C[NH+]1C[C@@H]2CCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152879777 378454922 /nfs/dbraw/zinc/45/49/22/378454922.db2.gz JYVBQSUPTFPPNQ-WNKDZCFJSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCOC2)CCCN1Cc1ccccc1 ZINC000152949894 378461966 /nfs/dbraw/zinc/46/19/66/378461966.db2.gz OUHFJODZTIQMCU-MSOLQXFVSA-N 2 0 288.435 2.810 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000153053849 378469910 /nfs/dbraw/zinc/46/99/10/378469910.db2.gz NZCQATJMCZJWCO-MRXNPFEDSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153960821 378526702 /nfs/dbraw/zinc/52/67/02/378526702.db2.gz RPKFJMHSHJHBHA-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP CN(c1ccccc1C[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000153777337 378511346 /nfs/dbraw/zinc/51/13/46/378511346.db2.gz NQWJKVFNMCXUPM-UHFFFAOYSA-N 2 0 287.451 2.811 20 0 CFADRP CC1CC[NH+](CCN2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000154082628 378537406 /nfs/dbraw/zinc/53/74/06/378537406.db2.gz RMPIQSAWELZTLH-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1=CCCOC1 ZINC000289475264 197364851 /nfs/dbraw/zinc/36/48/51/197364851.db2.gz PWJQHTRPHHCWIS-UHFFFAOYSA-N 2 0 288.435 2.917 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)o1 ZINC000154332172 378558624 /nfs/dbraw/zinc/55/86/24/378558624.db2.gz NEBSRBSNKNESRE-HNNXBMFYSA-N 2 0 293.455 2.520 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154407473 378564815 /nfs/dbraw/zinc/56/48/15/378564815.db2.gz ZJBBRUFCQIUDLT-KRWDZBQOSA-N 2 0 289.467 2.673 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000157869409 378658938 /nfs/dbraw/zinc/65/89/38/378658938.db2.gz YOCZDYAKXPKVLJ-YESZJQIVSA-N 3 0 281.488 2.571 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000159248733 378698437 /nfs/dbraw/zinc/69/84/37/378698437.db2.gz WZDVJIPYPQLGNL-IRXDYDNUSA-N 2 0 283.419 2.884 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000331419509 378685793 /nfs/dbraw/zinc/68/57/93/378685793.db2.gz WSBTWKHWNUCFAN-SDDRHHMPSA-N 2 0 279.453 2.800 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000332248073 378740360 /nfs/dbraw/zinc/74/03/60/378740360.db2.gz BJZCOAHVXPIVDX-XKQJLSEDSA-N 2 0 273.424 2.753 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679840274 542241828 /nfs/dbraw/zinc/24/18/28/542241828.db2.gz CUKKRCQLOOMDSA-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000571843263 383731204 /nfs/dbraw/zinc/73/12/04/383731204.db2.gz AXNHGJLDROCNPS-BBRMVZONSA-N 2 0 298.858 2.515 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000333303888 378820618 /nfs/dbraw/zinc/82/06/18/378820618.db2.gz QNEVFCHNXZSUBS-UHFFFAOYSA-N 2 0 273.424 2.568 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H]2CCSC2)ccc1F ZINC000278508412 194017943 /nfs/dbraw/zinc/01/79/43/194017943.db2.gz OONRFRJRGWIMJM-ZDUSSCGKSA-N 2 0 282.428 2.730 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccncc2Cl)C1 ZINC000529568519 383732534 /nfs/dbraw/zinc/73/25/34/383732534.db2.gz AKMVPXNEBNPAIN-DZGCQCFKSA-N 2 0 279.815 2.651 20 0 CFADRP Clc1ccc(CN2CCC(n3ccnc3)CC2)nc1 ZINC000334216885 378938661 /nfs/dbraw/zinc/93/86/61/378938661.db2.gz RVDCLMISKHJIAF-UHFFFAOYSA-N 2 0 276.771 2.769 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000162522334 378916022 /nfs/dbraw/zinc/91/60/22/378916022.db2.gz JLXIRTFLMIQQHN-QGZVFWFLSA-N 2 0 276.424 2.905 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000163246162 378960724 /nfs/dbraw/zinc/96/07/24/378960724.db2.gz YXUPIOQXFHLEOW-AAEUAGOBSA-N 2 0 250.411 2.578 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000434767004 296284896 /nfs/dbraw/zinc/28/48/96/296284896.db2.gz QRWPRLRARQCQAH-XLNGHYISSA-N 2 0 294.483 2.779 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000163272693 378962655 /nfs/dbraw/zinc/96/26/55/378962655.db2.gz YTURZOREXXKBPV-KRWDZBQOSA-N 2 0 297.402 2.825 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163378944 378968241 /nfs/dbraw/zinc/96/82/41/378968241.db2.gz URJISRFSOSBQBU-IPYPFGDCSA-N 2 0 262.397 2.673 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC000163404357 378969317 /nfs/dbraw/zinc/96/93/17/378969317.db2.gz OEYOBGWJEPHOJH-CVEARBPZSA-N 2 0 276.424 2.756 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000163387241 378970124 /nfs/dbraw/zinc/97/01/24/378970124.db2.gz MIJAMXHOISCGDA-XJKSGUPXSA-N 2 0 283.419 2.960 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(F)nc2C)CC1 ZINC000278580722 194054209 /nfs/dbraw/zinc/05/42/09/194054209.db2.gz YLLLMJNABZJQLU-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H](C)C1 ZINC000334265336 379001938 /nfs/dbraw/zinc/00/19/38/379001938.db2.gz MGTFNASKINRAHZ-YPMHNXCESA-N 2 0 260.372 2.884 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164626107 379019433 /nfs/dbraw/zinc/01/94/33/379019433.db2.gz KDDFDKXAPMFBCX-IRXDYDNUSA-N 3 0 281.488 2.572 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCc1ccccc1)CC[NH2+]CC2 ZINC000335281238 379020344 /nfs/dbraw/zinc/02/03/44/379020344.db2.gz NQQAFBTVSOZAEN-OAHLLOKOSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(F)cc1)CC[NH2+]CC2 ZINC000335280835 379020882 /nfs/dbraw/zinc/02/08/82/379020882.db2.gz UIYLHMYLJMCKKP-CYBMUJFWSA-N 2 0 262.372 2.790 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000166054154 379049022 /nfs/dbraw/zinc/04/90/22/379049022.db2.gz QLSJPTOIDZBDMG-ZIAGYGMSSA-N 2 0 268.401 2.595 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000166037585 379050227 /nfs/dbraw/zinc/05/02/27/379050227.db2.gz LHEQCCJWTDSCSG-XJKSGUPXSA-N 2 0 282.403 2.833 20 0 CFADRP C[C@@H](O)CCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000278735701 194129338 /nfs/dbraw/zinc/12/93/38/194129338.db2.gz UYDNGEHXQTWPPO-MRXNPFEDSA-N 2 0 292.467 2.895 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1F ZINC000168749533 379095230 /nfs/dbraw/zinc/09/52/30/379095230.db2.gz OWZNXKFRHXCNGZ-KRWDZBQOSA-N 2 0 293.430 2.504 20 0 CFADRP COC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCCCC1 ZINC000334337857 379117145 /nfs/dbraw/zinc/11/71/45/379117145.db2.gz WYGPBSBLJUMQIS-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000170928343 379194002 /nfs/dbraw/zinc/19/40/02/379194002.db2.gz MYDSEIMVRGAGFF-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335482254 379377937 /nfs/dbraw/zinc/37/79/37/379377937.db2.gz CVQFBPPRWBQMPT-IRXDYDNUSA-N 2 0 258.409 2.838 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335632523 379629703 /nfs/dbraw/zinc/62/97/03/379629703.db2.gz GSQXXXMPCVRNKT-CABCVRRESA-N 2 0 262.372 2.647 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335632525 379630563 /nfs/dbraw/zinc/63/05/63/379630563.db2.gz GSQXXXMPCVRNKT-HUUCEWRRSA-N 2 0 262.372 2.647 20 0 CFADRP Cc1ccc2cc(CN[C@@H]3CCCC[C@H]3[NH3+])ccc2n1 ZINC000334615562 379631390 /nfs/dbraw/zinc/63/13/90/379631390.db2.gz KOGKSRHCOVLFKU-NVXWUHKLSA-N 2 0 269.392 2.903 20 0 CFADRP Cc1cc(F)c(CN2CC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000335638684 379643356 /nfs/dbraw/zinc/64/33/56/379643356.db2.gz IVOJYYZRDYYOHJ-QWRGUYRKSA-N 2 0 270.779 2.957 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000335626701 379621165 /nfs/dbraw/zinc/62/11/65/379621165.db2.gz XTSGIZVTOHTCPQ-IRXDYDNUSA-N 2 0 270.420 2.866 20 0 CFADRP [NH3+][C@@H]1CCCN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000334632325 379666523 /nfs/dbraw/zinc/66/65/23/379666523.db2.gz JWEHKUBNYSQCNO-QGZVFWFLSA-N 2 0 267.376 2.672 20 0 CFADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000334655727 379717324 /nfs/dbraw/zinc/71/73/24/379717324.db2.gz SXSPCOHGNIGBHC-JKSUJKDBSA-N 2 0 287.407 2.526 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000173919678 379799154 /nfs/dbraw/zinc/79/91/54/379799154.db2.gz GOIULFYENVLASR-INIZCTEOSA-N 2 0 272.436 2.949 20 0 CFADRP Cc1nsc(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000571937453 383740562 /nfs/dbraw/zinc/74/05/62/383740562.db2.gz XXJLOSWENMANEC-GXFFZTMASA-N 2 0 267.442 2.674 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000174273086 379856216 /nfs/dbraw/zinc/85/62/16/379856216.db2.gz NDKJSCFHLAJOHS-HUUCEWRRSA-N 2 0 294.439 2.620 20 0 CFADRP COc1ccc(C[NH2+]Cc2cnc3c(C)cccn23)cc1O ZINC000174333245 379867063 /nfs/dbraw/zinc/86/70/63/379867063.db2.gz NIGAPIISAOHEQJ-UHFFFAOYSA-N 2 0 297.358 2.647 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC(C)(C)C1 ZINC000174354942 379871695 /nfs/dbraw/zinc/87/16/95/379871695.db2.gz KAGWAQNCAWGEIR-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CN(CCC[NH2+]C2CCCCCC2)CCCO1 ZINC000432357631 383741428 /nfs/dbraw/zinc/74/14/28/383741428.db2.gz IYJLOHUYKVROEX-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000334852846 379933257 /nfs/dbraw/zinc/93/32/57/379933257.db2.gz BBZOYEWQTBLKCE-JDEYZFBPSA-N 2 0 293.499 2.571 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000334863362 379933700 /nfs/dbraw/zinc/93/37/00/379933700.db2.gz MVMVRDKGOFILRE-LDZOIKDWSA-N 2 0 259.397 2.506 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000334871074 379936582 /nfs/dbraw/zinc/93/65/82/379936582.db2.gz XRZLZMSUHZKOLA-HBIQZDMRSA-N 2 0 264.335 2.838 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCCN3)CC[N@@H+]1C ZINC000335011000 379955513 /nfs/dbraw/zinc/95/55/13/379955513.db2.gz DJLHJHNZCJLHFO-UKRRQHHQSA-N 2 0 273.424 2.617 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000335028384 379958862 /nfs/dbraw/zinc/95/88/62/379958862.db2.gz IZDQZQABUKMYSZ-VKYMVXLJSA-N 2 0 285.435 2.738 20 0 CFADRP CC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CC[NH2+]CC1 ZINC000335026738 379959754 /nfs/dbraw/zinc/95/97/54/379959754.db2.gz YRFCIIMEBYROIA-INIZCTEOSA-N 2 0 274.408 2.749 20 0 CFADRP Cc1cc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)ccc1F ZINC000335206173 380006516 /nfs/dbraw/zinc/00/65/16/380006516.db2.gz QBEKLYIJYRPOPU-QGZVFWFLSA-N 2 0 292.398 2.507 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000335899883 380074456 /nfs/dbraw/zinc/07/44/56/380074456.db2.gz RXWFBSBQASXDBJ-UHFFFAOYSA-N 2 0 278.440 2.577 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335907133 380087091 /nfs/dbraw/zinc/08/70/91/380087091.db2.gz MHZGQRSGMWMGQN-NHYWBVRUSA-N 2 0 282.790 2.705 20 0 CFADRP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c[nH]1 ZINC000175703050 380115158 /nfs/dbraw/zinc/11/51/58/380115158.db2.gz DNCFKUDKEKFNOA-UHFFFAOYSA-N 2 0 261.413 2.759 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335961063 380165639 /nfs/dbraw/zinc/16/56/39/380165639.db2.gz NEXUOJNANLGZKC-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP CCc1cnc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000335991177 380204968 /nfs/dbraw/zinc/20/49/68/380204968.db2.gz XEIZLIODCGKVND-JSGCOSHPSA-N 2 0 279.453 2.622 20 0 CFADRP Cn1cncc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000177213567 380316534 /nfs/dbraw/zinc/31/65/34/380316534.db2.gz UDHWMDPBGRQLFN-UHFFFAOYSA-N 2 0 265.426 2.672 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336345901 380325880 /nfs/dbraw/zinc/32/58/80/380325880.db2.gz MFVBNRGYGZOBAA-PXAZEXFGSA-N 2 0 274.383 2.911 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423408842 284825971 /nfs/dbraw/zinc/82/59/71/284825971.db2.gz PENURDQGPSUFDS-HOTGVXAUSA-N 2 0 282.472 2.807 20 0 CFADRP Cc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000336514316 380393265 /nfs/dbraw/zinc/39/32/65/380393265.db2.gz NDAKAGJWWSXXGP-QWHCGFSZSA-N 2 0 250.411 2.773 20 0 CFADRP c1coc(-c2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)no2)c1 ZINC000336554375 380457434 /nfs/dbraw/zinc/45/74/34/380457434.db2.gz VJFZAZSKMPRZIH-UHFFFAOYSA-N 2 0 287.363 2.510 20 0 CFADRP c1ccc2[nH]c(C3CC[NH+](C[C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000336542177 380440864 /nfs/dbraw/zinc/44/08/64/380440864.db2.gz SOVUBVGBRUZGHQ-CQSZACIVSA-N 2 0 298.434 2.742 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000178119474 380411019 /nfs/dbraw/zinc/41/10/19/380411019.db2.gz HFHIRDQQKOVUAN-LSDHHAIUSA-N 2 0 298.471 2.961 20 0 CFADRP C1=C(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)COCC1 ZINC000178163254 380417039 /nfs/dbraw/zinc/41/70/39/380417039.db2.gz ILYZBKBBGFZSFO-UHFFFAOYSA-N 2 0 278.440 2.577 20 0 CFADRP Oc1cccc(C[N@H+](CC2CC2)CC2CC[NH2+]CC2)c1 ZINC000178968926 380496657 /nfs/dbraw/zinc/49/66/57/380496657.db2.gz LKZQNBOZIIDAEL-UHFFFAOYSA-N 2 0 274.408 2.604 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1(CC)CC ZINC000178977175 380498153 /nfs/dbraw/zinc/49/81/53/380498153.db2.gz WXYZJFIHYMZPDL-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654527 380584329 /nfs/dbraw/zinc/58/43/29/380584329.db2.gz BKUSOPXPTKAOSC-MSOLQXFVSA-N 2 0 289.467 2.566 20 0 CFADRP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000179865758 380587583 /nfs/dbraw/zinc/58/75/83/380587583.db2.gz YGRJBHYJTPKOKU-INIZCTEOSA-N 2 0 290.451 2.865 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000336678816 380590636 /nfs/dbraw/zinc/59/06/36/380590636.db2.gz IKBJCEZHKYTPDD-UWVGGRQHSA-N 2 0 271.202 2.695 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCSC(C)C)C1 ZINC000336686451 380592918 /nfs/dbraw/zinc/59/29/18/380592918.db2.gz DUZOUHUNECPLST-AWEZNQCLSA-N 2 0 258.475 2.792 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(C)C)C[C@@H]1C ZINC000336701807 380599283 /nfs/dbraw/zinc/59/92/83/380599283.db2.gz GEOVPNNVOKJMET-LSDHHAIUSA-N 2 0 256.434 2.606 20 0 CFADRP CSCC[C@@H](C)[N@H+](C)CCCn1ccnc1C ZINC000336709187 380601309 /nfs/dbraw/zinc/60/13/09/380601309.db2.gz JHAVOZBJMGSOMU-GFCCVEGCSA-N 2 0 255.431 2.655 20 0 CFADRP CSC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336725480 380616703 /nfs/dbraw/zinc/61/67/03/380616703.db2.gz VECMZEQJSFXFKB-KGLIPLIRSA-N 2 0 256.459 2.546 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCC(C)(C)OC)CC1 ZINC000336784693 380628034 /nfs/dbraw/zinc/62/80/34/380628034.db2.gz VMBLDLVHNHNHOQ-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000336823045 380691602 /nfs/dbraw/zinc/69/16/02/380691602.db2.gz NXTPANHIUFKBRF-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C)sc2C)[C@@H](C)C1 ZINC000336802258 380654429 /nfs/dbraw/zinc/65/44/29/380654429.db2.gz SZMVPOTYIKLTCV-XHDPSFHLSA-N 2 0 281.469 2.922 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2scnc2C)C[C@H]1C ZINC000336801616 380655757 /nfs/dbraw/zinc/65/57/57/380655757.db2.gz QSMIKLNNOAEJGY-OCCSQVGLSA-N 2 0 281.469 2.799 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000295339034 380797787 /nfs/dbraw/zinc/79/77/87/380797787.db2.gz HVYQXOILRDZTFB-DOMZBBRYSA-N 2 0 264.438 2.589 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000346999265 380862768 /nfs/dbraw/zinc/86/27/68/380862768.db2.gz FXJISJDCIPWOAI-DZGCQCFKSA-N 2 0 284.407 2.636 20 0 CFADRP C[C@@H]([C@@H]1CC[NH2+]C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000400697350 380864500 /nfs/dbraw/zinc/86/45/00/380864500.db2.gz BGQOZJCESZXVLA-MAUKXSAKSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000400986822 380866739 /nfs/dbraw/zinc/86/67/39/380866739.db2.gz ZNFJGXLRDBDKRI-AUZPSNTRSA-N 2 0 250.411 2.787 20 0 CFADRP Fc1ccc(C[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000347003408 380867740 /nfs/dbraw/zinc/86/77/40/380867740.db2.gz LFAUWLTVQPHSQC-HOTGVXAUSA-N 2 0 276.399 2.690 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347003457 380868058 /nfs/dbraw/zinc/86/80/58/380868058.db2.gz LLNZYNXLQGDESN-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000347004023 380869298 /nfs/dbraw/zinc/86/92/98/380869298.db2.gz MPVWDDDWKBJVGC-AWEZNQCLSA-N 2 0 276.424 2.606 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000346975558 380836574 /nfs/dbraw/zinc/83/65/74/380836574.db2.gz JLGCUHLPKWIGRL-HNNXBMFYSA-N 2 0 287.451 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2NCC3)[C@@H](C)C1 ZINC000346982285 380844762 /nfs/dbraw/zinc/84/47/62/380844762.db2.gz NDPSPSIWRJLVHU-YOEHRIQHSA-N 2 0 287.451 2.817 20 0 CFADRP C[C@H]([NH2+]Cc1ccn(C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358489687 380878927 /nfs/dbraw/zinc/87/89/27/380878927.db2.gz YFLCPTQVZSPRSF-HOCLYGCPSA-N 2 0 275.440 2.768 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCOC2)CN1Cc1ccccc1 ZINC000367903209 380852937 /nfs/dbraw/zinc/85/29/37/380852937.db2.gz MWVCLDINFSBDAL-DLBZAZTESA-N 2 0 288.435 2.808 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346993861 380857400 /nfs/dbraw/zinc/85/74/00/380857400.db2.gz AVXNWINEVGNYMG-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)[C@@H](C)C1 ZINC000353798066 380858538 /nfs/dbraw/zinc/85/85/38/380858538.db2.gz SYYWPUHPKRFDCG-JONQDZQNSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346995661 380859939 /nfs/dbraw/zinc/85/99/39/380859939.db2.gz BSGOWFLDQGXUSX-HOCLYGCPSA-N 2 0 298.434 2.944 20 0 CFADRP CCC[N@H+](Cc1cc(OC)cc(OC)c1)C1CC[NH2+]CC1 ZINC000347013259 380880877 /nfs/dbraw/zinc/88/08/77/380880877.db2.gz HRSURZJXWQVBLZ-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347017560 380881947 /nfs/dbraw/zinc/88/19/47/380881947.db2.gz DUUHUMUFKUSJRZ-BFYDXBDKSA-N 2 0 260.425 2.924 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000347027982 380889620 /nfs/dbraw/zinc/88/96/20/380889620.db2.gz VMHFUMSDNXDOBU-OAHLLOKOSA-N 2 0 262.397 2.502 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccoc1C ZINC000680111649 542279860 /nfs/dbraw/zinc/27/98/60/542279860.db2.gz WWFRBRYKAAPXTN-UHFFFAOYSA-N 2 0 282.347 2.767 20 0 CFADRP CC/C=C/CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000341317789 380931001 /nfs/dbraw/zinc/93/10/01/380931001.db2.gz LOUNVBBNEVOPBX-AATRIKPKSA-N 2 0 293.499 2.833 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347061917 380915104 /nfs/dbraw/zinc/91/51/04/380915104.db2.gz ZFKUSJYVAPKYKK-QAPCUYQASA-N 2 0 294.483 2.903 20 0 CFADRP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000181906643 380931739 /nfs/dbraw/zinc/93/17/39/380931739.db2.gz GYBONXRSOYMIFH-OAHLLOKOSA-N 2 0 298.471 2.772 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000347117610 380950477 /nfs/dbraw/zinc/95/04/77/380950477.db2.gz WQCIYIUTQQZJBC-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347117358 380952018 /nfs/dbraw/zinc/95/20/18/380952018.db2.gz UKWACPVLDILRHK-HNNXBMFYSA-N 2 0 262.397 2.646 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000353918255 380954429 /nfs/dbraw/zinc/95/44/29/380954429.db2.gz STHQJYGQGLUERQ-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000368265206 380973327 /nfs/dbraw/zinc/97/33/27/380973327.db2.gz RCUWXYRDYXYPGA-ARFHVFGLSA-N 2 0 287.451 2.740 20 0 CFADRP CCOc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1OC ZINC000347098862 380937931 /nfs/dbraw/zinc/93/79/31/380937931.db2.gz IWLHSCASBMXOFW-CYBMUJFWSA-N 2 0 292.423 2.653 20 0 CFADRP Cc1ncc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1-c1ccccc1 ZINC000347112727 380947344 /nfs/dbraw/zinc/94/73/44/380947344.db2.gz RSGHUGFMTVIQQW-AWEZNQCLSA-N 2 0 298.434 2.740 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000347114189 380947401 /nfs/dbraw/zinc/94/74/01/380947401.db2.gz SNKBEVAABRTRFI-SMDDNHRTSA-N 2 0 295.452 2.554 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)CC[N@@H+]1C ZINC000353957290 380984647 /nfs/dbraw/zinc/98/46/47/380984647.db2.gz OYCIIEMLUIVMHO-QWRGUYRKSA-N 2 0 264.335 2.791 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC000368425430 381021052 /nfs/dbraw/zinc/02/10/52/381021052.db2.gz FFUPTMWWFCKXOT-DLBZAZTESA-N 2 0 293.499 2.667 20 0 CFADRP Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(C2CC2)n1 ZINC000341460368 381026459 /nfs/dbraw/zinc/02/64/59/381026459.db2.gz ATPXWGPYMMWKFX-HNNXBMFYSA-N 2 0 286.423 2.727 20 0 CFADRP CN(C)CC1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000341462341 381027011 /nfs/dbraw/zinc/02/70/11/381027011.db2.gz OBNIBEZQYMLASK-HZPDHXFCSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353969940 380989206 /nfs/dbraw/zinc/98/92/06/380989206.db2.gz AKGOGWLZHVPPKL-OUAUKWLOSA-N 2 0 264.335 2.647 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353969941 380989974 /nfs/dbraw/zinc/98/99/74/380989974.db2.gz AKGOGWLZHVPPKL-VWYCJHECSA-N 2 0 264.335 2.647 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C3CC3)CC2)CC1 ZINC000368328685 380992535 /nfs/dbraw/zinc/99/25/35/380992535.db2.gz IYWWRQRDPBSXLJ-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000354077738 381062873 /nfs/dbraw/zinc/06/28/73/381062873.db2.gz HSEODFZDUHKTCB-OAHLLOKOSA-N 2 0 282.453 2.681 20 0 CFADRP Cc1ccncc1CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000289620935 381070212 /nfs/dbraw/zinc/07/02/12/381070212.db2.gz JZCJNWKIFCSEAG-QGZVFWFLSA-N 2 0 275.440 2.739 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368578765 381071686 /nfs/dbraw/zinc/07/16/86/381071686.db2.gz PXYKMFRQCCDUFQ-UHFFFAOYSA-N 2 0 273.424 2.649 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1nccn1C ZINC000182454888 381090675 /nfs/dbraw/zinc/09/06/75/381090675.db2.gz SGXOCTAFJCQSJY-MRXNPFEDSA-N 2 0 292.471 2.973 20 0 CFADRP C(CC1CCOCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000368650923 381097196 /nfs/dbraw/zinc/09/71/96/381097196.db2.gz REYGMXRYMPCWTO-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCC(C)(C)C3)C2)CC1 ZINC000368650414 381097341 /nfs/dbraw/zinc/09/73/41/381097341.db2.gz PWFXPGZLUUUSLR-SJORKVTESA-N 2 0 293.499 2.665 20 0 CFADRP FC1(F)CCC[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000311953296 270288804 /nfs/dbraw/zinc/28/88/04/270288804.db2.gz YDHFISNZVIQFPW-MCIONIFRSA-N 2 0 272.383 2.743 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)[C@@H](C)C1 ZINC000347425928 381143863 /nfs/dbraw/zinc/14/38/63/381143863.db2.gz WMUJMHQNIOVSOC-WDEREUQCSA-N 2 0 252.324 2.649 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2COCC)C1 ZINC000354211695 381144347 /nfs/dbraw/zinc/14/43/47/381144347.db2.gz NMDCFHZSEGSQEL-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182753657 381149683 /nfs/dbraw/zinc/14/96/83/381149683.db2.gz KYEWTWALGWIEHJ-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2)C[C@@H]1C ZINC000354226177 381150761 /nfs/dbraw/zinc/15/07/61/381150761.db2.gz VDCWWUHVPKQFGG-JKSUJKDBSA-N 2 0 276.424 2.870 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H](c1ccsc1)[NH+](C)C ZINC000354227212 381151272 /nfs/dbraw/zinc/15/12/72/381151272.db2.gz ZNAZWUVGAWVSSN-CQSZACIVSA-N 2 0 261.394 2.588 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000358925217 381158805 /nfs/dbraw/zinc/15/88/05/381158805.db2.gz DWOAZADZVGTKQE-UHFFFAOYSA-N 2 0 287.432 2.816 20 0 CFADRP CC(C)[NH+](CCCNCc1cc(F)ncc1F)C(C)C ZINC000295873868 381129920 /nfs/dbraw/zinc/12/99/20/381129920.db2.gz XMNMOVZWNPDIJT-UHFFFAOYSA-N 2 0 285.382 2.958 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCOC ZINC000347407134 381130119 /nfs/dbraw/zinc/13/01/19/381130119.db2.gz DGZNXBJBLBYASO-OWCLPIDISA-N 2 0 270.461 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000347495575 381185261 /nfs/dbraw/zinc/18/52/61/381185261.db2.gz ZAWIPGVWSSFDQZ-JYJNAYRXSA-N 2 0 268.445 2.608 20 0 CFADRP CO[C@@H]1CC[N@H+](CCCc2cnccc2C)[C@@H](C)C1 ZINC000289853034 381187362 /nfs/dbraw/zinc/18/73/62/381187362.db2.gz VLUZDSUZOVSFMV-GOEBONIOSA-N 2 0 262.397 2.822 20 0 CFADRP C[C@H]1CCC[C@H](CC[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000182963350 381190639 /nfs/dbraw/zinc/19/06/39/381190639.db2.gz RKTRMRVQPWQDPV-ZWKOTPCHSA-N 2 0 295.515 2.772 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)CCO2 ZINC000296026552 381216704 /nfs/dbraw/zinc/21/67/04/381216704.db2.gz SJZWGBNTBUYHOU-FCLXEUQJSA-N 2 0 286.419 2.897 20 0 CFADRP Cc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc(C)c1O ZINC000290016377 381263580 /nfs/dbraw/zinc/26/35/80/381263580.db2.gz MHTRCZYDNYOVTG-MRXNPFEDSA-N 2 0 288.435 2.927 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000342308547 381267532 /nfs/dbraw/zinc/26/75/32/381267532.db2.gz HNDVERGTXMTADX-KGLIPLIRSA-N 2 0 274.343 2.556 20 0 CFADRP COCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125441 381220405 /nfs/dbraw/zinc/22/04/05/381220405.db2.gz UFPNKAMKDKYXEU-OKZBNKHCSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1C(C)(C)C1(C)C)CN1CC[NH+](C)CC1 ZINC000354353452 381220754 /nfs/dbraw/zinc/22/07/54/381220754.db2.gz UQAPUUUJVAJDCO-GJZGRUSLSA-N 2 0 295.515 2.530 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000289941924 381226225 /nfs/dbraw/zinc/22/62/25/381226225.db2.gz WCIDSUMNISINBD-QWHCGFSZSA-N 2 0 290.407 2.536 20 0 CFADRP C[N@H+](CCCn1ccnc1)C1CCC(F)(F)CC1 ZINC000347583802 381235992 /nfs/dbraw/zinc/23/59/92/381235992.db2.gz RDSIEUPKZLSJJS-UHFFFAOYSA-N 2 0 257.328 2.783 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000342275753 381241454 /nfs/dbraw/zinc/24/14/54/381241454.db2.gz SFFVDRCXQOEZLZ-AWEZNQCLSA-N 2 0 276.428 2.591 20 0 CFADRP C[N@H+](CCOc1ccccc1F)CCC1CC[NH2+]CC1 ZINC000359224167 381297576 /nfs/dbraw/zinc/29/75/76/381297576.db2.gz RKRZPHHQNGOQGK-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]1O ZINC000183844780 381328887 /nfs/dbraw/zinc/32/88/87/381328887.db2.gz SKWSSEWWKJBYGD-CVEARBPZSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)[C@H](C)c2cnn(C)c2)cn1 ZINC000354560755 381339602 /nfs/dbraw/zinc/33/96/02/381339602.db2.gz DBIXFGCDWAYVKY-CQSZACIVSA-N 2 0 272.396 2.749 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000183710085 381309261 /nfs/dbraw/zinc/30/92/61/381309261.db2.gz NAUTUGIVKNTWBS-GJZGRUSLSA-N 2 0 298.471 2.818 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCSC3)C2)CC1 ZINC000369702601 381316905 /nfs/dbraw/zinc/31/69/05/381316905.db2.gz JLNLZHJJRPOXDD-CQSZACIVSA-N 2 0 268.470 2.547 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000354574860 381347777 /nfs/dbraw/zinc/34/77/77/381347777.db2.gz PCKQNHRLRYSSHA-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP CN(C)Cc1cnc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)s1 ZINC000347837329 381372309 /nfs/dbraw/zinc/37/23/09/381372309.db2.gz AMKMELQSLDNHQO-OCCSQVGLSA-N 2 0 279.453 2.969 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000290305673 381376256 /nfs/dbraw/zinc/37/62/56/381376256.db2.gz BSMDXTXNHCQWMR-ROUUACIJSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@H]([NH2+]CC1(O)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347919919 381415088 /nfs/dbraw/zinc/41/50/88/381415088.db2.gz AUJHZDXMTHDSJT-LSDHHAIUSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)(O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000370121482 381389755 /nfs/dbraw/zinc/38/97/55/381389755.db2.gz UKFBUXQXPSYXTE-INIZCTEOSA-N 2 0 282.472 2.735 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290342334 381392460 /nfs/dbraw/zinc/39/24/60/381392460.db2.gz FMBOXJBBYNSEIZ-RDJZCZTQSA-N 2 0 274.408 2.611 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)CC(C)C)CC1 ZINC000347923602 381416347 /nfs/dbraw/zinc/41/63/47/381416347.db2.gz ONHPJIMEOMEJEP-QGZVFWFLSA-N 2 0 283.504 2.676 20 0 CFADRP CCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370159441 381395274 /nfs/dbraw/zinc/39/52/74/381395274.db2.gz CLMIANCXLULXIO-OCCSQVGLSA-N 2 0 294.468 2.655 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(C)(C)O)C1 ZINC000370167877 381398037 /nfs/dbraw/zinc/39/80/37/381398037.db2.gz WDRWXUWQOCMYOU-CVEARBPZSA-N 2 0 282.472 2.734 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](CC)[NH+](CC)CC ZINC000359417352 381402514 /nfs/dbraw/zinc/40/25/14/381402514.db2.gz JTKMRVZLQVHTMJ-INIZCTEOSA-N 2 0 291.439 2.855 20 0 CFADRP c1[nH]c(-c2ccccc2)nc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370303698 381425027 /nfs/dbraw/zinc/42/50/27/381425027.db2.gz UMKDPHVWGWLOII-WBVHZDCISA-N 2 0 296.418 2.793 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]CCC[NH+](C)C)C1CC1 ZINC000342624293 381440351 /nfs/dbraw/zinc/44/03/51/381440351.db2.gz IGORHOXZXQCXCK-KRWDZBQOSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2)CC[N@@H+]1C ZINC000359516029 381446055 /nfs/dbraw/zinc/44/60/55/381446055.db2.gz KJQNRUYRSVLOGA-HOCLYGCPSA-N 2 0 278.465 2.992 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccsc2)C1 ZINC000290406007 381417699 /nfs/dbraw/zinc/41/76/99/381417699.db2.gz JTJHHCSNZCTRAY-ZIAGYGMSSA-N 2 0 250.411 2.664 20 0 CFADRP Cc1ccncc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290544854 381474012 /nfs/dbraw/zinc/47/40/12/381474012.db2.gz RMGCRQONPBJUSG-MRXNPFEDSA-N 2 0 273.424 2.554 20 0 CFADRP CSC1(C[NH2+]CC2(C[NH+](C)C)CCCC2)CC1 ZINC000348254613 381476421 /nfs/dbraw/zinc/47/64/21/381476421.db2.gz OVHYWIKJKQCZOZ-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000354836039 381477571 /nfs/dbraw/zinc/47/75/71/381477571.db2.gz AIELKJKJJUCJBL-MSOLQXFVSA-N 2 0 294.483 2.591 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000354836040 381478016 /nfs/dbraw/zinc/47/80/16/381478016.db2.gz AIELKJKJJUCJBL-QZTJIDSGSA-N 2 0 294.483 2.591 20 0 CFADRP CCN(Cc1c[nH]cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184801980 381479597 /nfs/dbraw/zinc/47/95/97/381479597.db2.gz WCCITPZUEMJCMV-QGZVFWFLSA-N 2 0 284.407 2.506 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCOC(C)(C)C)CC[C@@H]21 ZINC000354805706 381463119 /nfs/dbraw/zinc/46/31/19/381463119.db2.gz JZAFRNZATGFTKQ-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348143911 381466227 /nfs/dbraw/zinc/46/62/27/381466227.db2.gz ARTVPQUEWALSMN-DLBZAZTESA-N 2 0 281.488 2.571 20 0 CFADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000296608094 381470475 /nfs/dbraw/zinc/47/04/75/381470475.db2.gz YWPXMSSOPLZPOU-CQSZACIVSA-N 2 0 291.439 2.855 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1cccs1 ZINC000370758469 381507304 /nfs/dbraw/zinc/50/73/04/381507304.db2.gz SZNZVZJWWPORGD-GOEBONIOSA-N 2 0 292.448 2.677 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@H]1c1cccs1 ZINC000370758471 381507693 /nfs/dbraw/zinc/50/76/93/381507693.db2.gz SZNZVZJWWPORGD-ZBFHGGJFSA-N 2 0 292.448 2.677 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290645560 381508053 /nfs/dbraw/zinc/50/80/53/381508053.db2.gz YTCYFPVJDMMDGI-KRWDZBQOSA-N 2 0 288.435 2.859 20 0 CFADRP CC[C@@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000412979055 381516428 /nfs/dbraw/zinc/51/64/28/381516428.db2.gz SNNKPVJUOVDWEL-MSOLQXFVSA-N 2 0 290.451 2.865 20 0 CFADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CC4)C[C@H]3C2)cc1 ZINC000370680638 381488605 /nfs/dbraw/zinc/48/86/05/381488605.db2.gz JOPKOKLDQLBMGR-QZTJIDSGSA-N 2 0 270.420 2.850 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000348308662 381495894 /nfs/dbraw/zinc/49/58/94/381495894.db2.gz FGYLEERCCSDSBI-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccs3)C2)CC1 ZINC000290601125 381495860 /nfs/dbraw/zinc/49/58/60/381495860.db2.gz VYMVWJQPBKHZPB-AWEZNQCLSA-N 2 0 264.438 2.912 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000348371766 381538221 /nfs/dbraw/zinc/53/82/21/381538221.db2.gz HTBHTVSCBGNCBE-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP COC1(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000359671803 381545539 /nfs/dbraw/zinc/54/55/39/381545539.db2.gz AHOYRIXDLKSMPV-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342797115 381546905 /nfs/dbraw/zinc/54/69/05/381546905.db2.gz DIXIAVBUVIBMBN-UHFFFAOYSA-N 2 0 290.455 2.548 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccnc1 ZINC000185059607 381524687 /nfs/dbraw/zinc/52/46/87/381524687.db2.gz RKUPLUBDFLJCTN-HOCLYGCPSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000296756274 381530298 /nfs/dbraw/zinc/53/02/98/381530298.db2.gz DCAOIBPEDJGCDA-NSHDSACASA-N 2 0 284.350 2.938 20 0 CFADRP CCCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294058 381583891 /nfs/dbraw/zinc/58/38/91/381583891.db2.gz IWWUUQKJYIMOPR-BZUAXINKSA-N 2 0 268.445 2.750 20 0 CFADRP C([C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1)[NH+]1CCCCC1 ZINC000371195996 381563376 /nfs/dbraw/zinc/56/33/76/381563376.db2.gz BBKSDARVPGPHDQ-IAGOWNOFSA-N 2 0 280.456 2.753 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348430365 381565735 /nfs/dbraw/zinc/56/57/35/381565735.db2.gz ZEEINSYQCKZROQ-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000185219648 381569088 /nfs/dbraw/zinc/56/90/88/381569088.db2.gz KLVGGTIXUKGTNL-CVEARBPZSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+](CC)CCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371210059 381570022 /nfs/dbraw/zinc/57/00/22/381570022.db2.gz XKUBTDGXJVFXOQ-QGZVFWFLSA-N 2 0 281.488 2.526 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000414198179 381571211 /nfs/dbraw/zinc/57/12/11/381571211.db2.gz WFJHPVSFJZRIOE-WBVHZDCISA-N 2 0 288.435 2.702 20 0 CFADRP COc1ccc([C@@H]2CCN(C[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000414700096 381600350 /nfs/dbraw/zinc/60/03/50/381600350.db2.gz UPPVYBVFLFSFKZ-CVEARBPZSA-N 2 0 276.424 2.858 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826121 381606783 /nfs/dbraw/zinc/60/67/83/381606783.db2.gz IOBYHNWAGFNVJV-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414841408 381607478 /nfs/dbraw/zinc/60/74/78/381607478.db2.gz NYLPVRFNSIMZMP-HZPDHXFCSA-N 2 0 260.425 2.905 20 0 CFADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCOC1 ZINC000355073587 381596482 /nfs/dbraw/zinc/59/64/82/381596482.db2.gz ZMEHXPWVWKHLBP-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677721 381597432 /nfs/dbraw/zinc/59/74/32/381597432.db2.gz JIJVOPMEAFBBOD-ZIAGYGMSSA-N 2 0 282.453 2.585 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000414900865 381611285 /nfs/dbraw/zinc/61/12/85/381611285.db2.gz FDSFFOFDXXNYAD-TUAOUCFPSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]C1 ZINC000414901536 381611808 /nfs/dbraw/zinc/61/18/08/381611808.db2.gz GCYUOKFVVKIYDX-HZPDHXFCSA-N 2 0 278.827 2.787 20 0 CFADRP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000371393281 381612437 /nfs/dbraw/zinc/61/24/37/381612437.db2.gz NJXSKUAQVABPLJ-ZJIFWQFVSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414925440 381614181 /nfs/dbraw/zinc/61/41/81/381614181.db2.gz LUGTXJLRDWBKMZ-ZIAGYGMSSA-N 2 0 280.799 2.634 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414943902 381633927 /nfs/dbraw/zinc/63/39/27/381633927.db2.gz ONNLBSLHOAILGZ-QZTJIDSGSA-N 2 0 285.435 2.803 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414943873 381634011 /nfs/dbraw/zinc/63/40/11/381634011.db2.gz OMBSAHZFAFWFHU-RDJZCZTQSA-N 2 0 276.424 2.823 20 0 CFADRP CC1([NH2+]Cc2cccc(-c3cccnc3)c2)CC[NH2+]CC1 ZINC000414944905 381637147 /nfs/dbraw/zinc/63/71/47/381637147.db2.gz QREPUCPQPAUBMX-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414954745 381646706 /nfs/dbraw/zinc/64/67/06/381646706.db2.gz KSHNEPHRZJNUFF-HLLBOEOZSA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414956638 381649310 /nfs/dbraw/zinc/64/93/10/381649310.db2.gz NQASNFRLWATWLN-CZUORRHYSA-N 2 0 262.397 2.561 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414947385 381638999 /nfs/dbraw/zinc/63/89/99/381638999.db2.gz KTMYFHCELCNELX-AAEUAGOBSA-N 2 0 250.411 2.639 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[NH2+]1 ZINC000414949579 381640933 /nfs/dbraw/zinc/64/09/33/381640933.db2.gz NTBGOIHFAJXIKV-KSSFIOAISA-N 2 0 281.403 2.979 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC[NH2+]CC1 ZINC000414978811 381673747 /nfs/dbraw/zinc/67/37/47/381673747.db2.gz TZPITGOPXCHKBF-GJZGRUSLSA-N 2 0 282.472 2.807 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OC(C)C ZINC000414964266 381660422 /nfs/dbraw/zinc/66/04/22/381660422.db2.gz UQESDSGYQOFIND-UKRRQHHQSA-N 2 0 292.423 2.570 20 0 CFADRP C[C@@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000414963848 381660645 /nfs/dbraw/zinc/66/06/45/381660645.db2.gz DCWGPKBWDBRGBY-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414964568 381661619 /nfs/dbraw/zinc/66/16/19/381661619.db2.gz DUYGXKRJBWIALB-BWPKMQGJSA-N 2 0 262.372 2.817 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414975112 381669719 /nfs/dbraw/zinc/66/97/19/381669719.db2.gz OHVRMMOWTHHKJG-GOEBONIOSA-N 2 0 276.424 2.748 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414976869 381670833 /nfs/dbraw/zinc/67/08/33/381670833.db2.gz QNJVIJRSYXPMKW-CQSZACIVSA-N 2 0 264.438 2.886 20 0 CFADRP CCOc1ccccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414978624 381673042 /nfs/dbraw/zinc/67/30/42/381673042.db2.gz TZSXJRZFVWHXED-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1Br ZINC000414960224 381653833 /nfs/dbraw/zinc/65/38/33/381653833.db2.gz XZNZKLVNWFMSEG-AAEUAGOBSA-N 2 0 297.240 2.988 20 0 CFADRP C[NH+](C)CCSCC[N@H+](C)Cc1ccc(F)cc1 ZINC000185694821 381708122 /nfs/dbraw/zinc/70/81/22/381708122.db2.gz IRZWJAHFLKTENS-UHFFFAOYSA-N 2 0 270.417 2.552 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1 ZINC000415016189 381709987 /nfs/dbraw/zinc/70/99/87/381709987.db2.gz BTLIGLOOLWQQKR-LSDHHAIUSA-N 2 0 291.439 2.738 20 0 CFADRP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000415016466 381710244 /nfs/dbraw/zinc/71/02/44/381710244.db2.gz PVNZWDNOCMLGRB-LLVKDONJSA-N 2 0 298.814 2.734 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415017745 381711117 /nfs/dbraw/zinc/71/11/17/381711117.db2.gz FXVRGRFUONTWKN-CYBMUJFWSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000415017662 381711192 /nfs/dbraw/zinc/71/11/92/381711192.db2.gz QIVYMMQZBVCLHN-QWHCGFSZSA-N 2 0 295.858 2.630 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000415017471 381712169 /nfs/dbraw/zinc/71/21/69/381712169.db2.gz FOMUZHMHJMPYEK-INIZCTEOSA-N 3 0 291.483 2.862 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000415019026 381713114 /nfs/dbraw/zinc/71/31/14/381713114.db2.gz VISXAIBCTBDFLG-ZDUSSCGKSA-N 2 0 290.386 2.619 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415022127 381715168 /nfs/dbraw/zinc/71/51/68/381715168.db2.gz VGAJJZWFLIPFLM-WOPDTQHZSA-N 2 0 286.366 2.934 20 0 CFADRP Cc1ncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)n1-c1ccccc1 ZINC000414982030 381677287 /nfs/dbraw/zinc/67/72/87/381677287.db2.gz YEANGAPORAAFFD-MRXNPFEDSA-N 2 0 298.434 2.803 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414982529 381677398 /nfs/dbraw/zinc/67/73/98/381677398.db2.gz YHHHEPRZOMSJOP-KRWDZBQOSA-N 2 0 290.451 2.614 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414982113 381677804 /nfs/dbraw/zinc/67/78/04/381677804.db2.gz YJXAWWJETYVYIE-OAHLLOKOSA-N 2 0 285.391 2.963 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000414986352 381678714 /nfs/dbraw/zinc/67/87/14/381678714.db2.gz CASYEADFMFCAHW-IUODEOHRSA-N 2 0 285.391 2.548 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414985749 381679729 /nfs/dbraw/zinc/67/97/29/381679729.db2.gz HVWKSYYNOBORDZ-UKRRQHHQSA-N 2 0 291.439 2.854 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414986447 381681511 /nfs/dbraw/zinc/68/15/11/381681511.db2.gz CJEJSVOXWMXTBE-IAGOWNOFSA-N 2 0 298.434 2.539 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+]CCCc1c(F)cccc1Cl ZINC000414989433 381682578 /nfs/dbraw/zinc/68/25/78/381682578.db2.gz NLLGJEBBZZNDAM-SNVBAGLBSA-N 2 0 258.768 2.739 20 0 CFADRP CCn1nc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000414992557 381685810 /nfs/dbraw/zinc/68/58/10/381685810.db2.gz BUODFLVAPAMQEC-KBPBESRZSA-N 2 0 286.423 2.663 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415000239 381691513 /nfs/dbraw/zinc/69/15/13/381691513.db2.gz ANLSJYYMLLFOAW-UWPLUCTLSA-N 2 0 274.383 2.817 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000415001043 381693072 /nfs/dbraw/zinc/69/30/72/381693072.db2.gz UMJIBDAYCMVOMJ-XJKSGUPXSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000415002588 381694828 /nfs/dbraw/zinc/69/48/28/381694828.db2.gz VZQSWIOTMVYMEQ-DZGCQCFKSA-N 2 0 284.407 2.684 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000415004264 381696188 /nfs/dbraw/zinc/69/61/88/381696188.db2.gz HHCXHTDNHAECNQ-VBNZEHGJSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000415004635 381697043 /nfs/dbraw/zinc/69/70/43/381697043.db2.gz YKQWJUDBYGXSIC-XJKSGUPXSA-N 2 0 284.407 2.684 20 0 CFADRP C([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCCCC1 ZINC000415003947 381697051 /nfs/dbraw/zinc/69/70/51/381697051.db2.gz GXBITJJHTQVGJI-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP COc1ccc([C@@H](C)C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415007583 381700309 /nfs/dbraw/zinc/70/03/09/381700309.db2.gz LOJAFMYUROGFOQ-DOPJRALCSA-N 2 0 288.435 2.776 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000291189626 381700472 /nfs/dbraw/zinc/70/04/72/381700472.db2.gz LHNYULQVANBSKN-RHSMWYFYSA-N 2 0 258.409 2.944 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000291189630 381700538 /nfs/dbraw/zinc/70/05/38/381700538.db2.gz LHNYULQVANBSKN-WMLDXEAASA-N 2 0 258.409 2.944 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000415009522 381702953 /nfs/dbraw/zinc/70/29/53/381702953.db2.gz UEZQCVLGXJMGBK-OCCSQVGLSA-N 2 0 288.395 2.585 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000415009521 381703012 /nfs/dbraw/zinc/70/30/12/381703012.db2.gz UEZQCVLGXJMGBK-JSGCOSHPSA-N 2 0 288.395 2.585 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000415012176 381705952 /nfs/dbraw/zinc/70/59/52/381705952.db2.gz IWZWAGWPJGYNKU-KBPBESRZSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000415012177 381706000 /nfs/dbraw/zinc/70/60/00/381706000.db2.gz IWZWAGWPJGYNKU-KGLIPLIRSA-N 2 0 262.397 2.660 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013022 381706224 /nfs/dbraw/zinc/70/62/24/381706224.db2.gz UKQVKUGTMKGWJS-DZGCQCFKSA-N 2 0 282.790 2.957 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000415012546 381706819 /nfs/dbraw/zinc/70/68/19/381706819.db2.gz JIPWACWOAKZBSJ-NSHDSACASA-N 2 0 280.803 2.595 20 0 CFADRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)n1 ZINC000415014440 381707722 /nfs/dbraw/zinc/70/77/22/381707722.db2.gz ZQGPYAWRSXYKJD-PBHICJAKSA-N 2 0 298.434 2.694 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000415038367 381727191 /nfs/dbraw/zinc/72/71/91/381727191.db2.gz NHAMQMVNQZJQBM-CABCVRRESA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415040253 381727925 /nfs/dbraw/zinc/72/79/25/381727925.db2.gz OUIJVXDABDCNKJ-ZYHUDNBSSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000415041024 381728656 /nfs/dbraw/zinc/72/86/56/381728656.db2.gz PKADHXYGFIWEHT-WXVGIEASSA-N 2 0 266.335 2.695 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000415042796 381730412 /nfs/dbraw/zinc/73/04/12/381730412.db2.gz REORIKBRDZZINE-WCQYABFASA-N 2 0 272.314 2.922 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415041907 381730612 /nfs/dbraw/zinc/73/06/12/381730612.db2.gz QGIPVLBICILKIF-XNRPHZJLSA-N 2 0 264.388 2.864 20 0 CFADRP CCN(CC)c1ccc(CNc2cc(C)nc(C)n2)cn1 ZINC000298737744 381730671 /nfs/dbraw/zinc/73/06/71/381730671.db2.gz VZIAYBDPEHIGMR-UHFFFAOYSA-N 2 0 285.395 2.947 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415045145 381732194 /nfs/dbraw/zinc/73/21/94/381732194.db2.gz TZJLQELTWZPEJT-XPKDYRNWSA-N 2 0 264.388 2.864 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000415044742 381733329 /nfs/dbraw/zinc/73/33/29/381733329.db2.gz BUTGLDXIYPYUSI-OLMNPRSZSA-N 2 0 289.467 2.569 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccs1 ZINC000360023060 381734908 /nfs/dbraw/zinc/73/49/08/381734908.db2.gz QXVBAYSJWSITRP-ZFWWWQNUSA-N 2 0 275.421 2.859 20 0 CFADRP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052263 381738670 /nfs/dbraw/zinc/73/86/70/381738670.db2.gz MZRHOXFBMFPTIQ-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)COC2 ZINC000360031092 381739977 /nfs/dbraw/zinc/73/99/77/381739977.db2.gz YVXUHBDRXCARLE-MORSLUCNSA-N 2 0 286.419 2.994 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000415054374 381740633 /nfs/dbraw/zinc/74/06/33/381740633.db2.gz NIGLLIPRCVYERZ-QGZVFWFLSA-N 2 0 270.376 2.962 20 0 CFADRP COC1(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCC1 ZINC000348866645 381744639 /nfs/dbraw/zinc/74/46/39/381744639.db2.gz GTFQORFTNPPFCF-YIONKMFJSA-N 2 0 266.429 2.503 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000415058576 381744852 /nfs/dbraw/zinc/74/48/52/381744852.db2.gz UCWQLACAXFPNSN-CABCVRRESA-N 2 0 264.438 2.952 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000415063484 381748724 /nfs/dbraw/zinc/74/87/24/381748724.db2.gz IGDSMWBKARZOGD-GOSISDBHSA-N 2 0 289.467 2.713 20 0 CFADRP CCC[NH+]1CCC(NC[C@H]([NH3+])c2ccccc2CC)CC1 ZINC000415063485 381749541 /nfs/dbraw/zinc/74/95/41/381749541.db2.gz IGDSMWBKARZOGD-SFHVURJKSA-N 2 0 289.467 2.713 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000415025769 381718227 /nfs/dbraw/zinc/71/82/27/381718227.db2.gz RORDPWWQJMRNCE-SNVBAGLBSA-N 2 0 255.431 2.658 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(C)c1O ZINC000298706093 381720128 /nfs/dbraw/zinc/72/01/28/381720128.db2.gz QZRUXFNXMWFMQY-UHFFFAOYSA-N 2 0 288.435 2.973 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000415026957 381720343 /nfs/dbraw/zinc/72/03/43/381720343.db2.gz AFQLINHVCULSFN-MWLCHTKSSA-N 2 0 256.752 2.696 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)cc2s1 ZINC000415028419 381722104 /nfs/dbraw/zinc/72/21/04/381722104.db2.gz CTBCPDOUDSBJEI-WCQYABFASA-N 2 0 275.421 2.822 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000415031980 381722595 /nfs/dbraw/zinc/72/25/95/381722595.db2.gz HPAHHSPWQOWJLD-BXKDBHETSA-N 2 0 256.752 2.696 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415030866 381723455 /nfs/dbraw/zinc/72/34/55/381723455.db2.gz CXBJLCTYENVLBM-PMPSAXMXSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415031111 381723483 /nfs/dbraw/zinc/72/34/83/381723483.db2.gz GKROLXYOVFBPLB-QWRGUYRKSA-N 2 0 267.442 2.658 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000415035506 381724673 /nfs/dbraw/zinc/72/46/73/381724673.db2.gz KPQVYBLOEQBANJ-WCQYABFASA-N 2 0 283.213 2.666 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415035872 381724906 /nfs/dbraw/zinc/72/49/06/381724906.db2.gz JFWUGMAGICYZNO-BZSNNMDCSA-N 2 0 288.435 2.599 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415098890 381781303 /nfs/dbraw/zinc/78/13/03/381781303.db2.gz GBAMPGGTAMXUPX-NEPJUHHUSA-N 2 0 268.351 2.658 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000415102162 381781691 /nfs/dbraw/zinc/78/16/91/381781691.db2.gz JMSXXDWTRLLCPG-UHFFFAOYSA-N 2 0 258.409 2.886 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415103259 381782966 /nfs/dbraw/zinc/78/29/66/381782966.db2.gz CZKHLXFECACVRJ-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C[NH3+] ZINC000415103195 381783556 /nfs/dbraw/zinc/78/35/56/381783556.db2.gz CTDFEVCMCDGDSO-CZUORRHYSA-N 2 0 288.435 2.817 20 0 CFADRP CC[NH+](CC)CCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415102818 381783674 /nfs/dbraw/zinc/78/36/74/381783674.db2.gz JXVMWRVWPIJQJF-ZWKOTPCHSA-N 2 0 289.467 2.801 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000372294970 381786072 /nfs/dbraw/zinc/78/60/72/381786072.db2.gz MGNGHFQRKMUDTB-IRXDYDNUSA-N 2 0 280.456 2.752 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1F ZINC000372297961 381786377 /nfs/dbraw/zinc/78/63/77/381786377.db2.gz LPEOGYVVKJIJAB-ZDUSSCGKSA-N 2 0 289.354 2.557 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000415112212 381788079 /nfs/dbraw/zinc/78/80/79/381788079.db2.gz PZYDMAFHGYZNEA-XJKSGUPXSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1Br ZINC000415113639 381789100 /nfs/dbraw/zinc/78/91/00/381789100.db2.gz WYTJTNJCCAYWEO-UHFFFAOYSA-N 2 0 297.240 2.847 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000343548759 381790238 /nfs/dbraw/zinc/79/02/38/381790238.db2.gz AAKKTKPSKTWHBQ-HYVNUMGLSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2cnccc2C(C)(C)C)CC[NH2+]1 ZINC000415119373 381790342 /nfs/dbraw/zinc/79/03/42/381790342.db2.gz HSTRSBHZYZEVSZ-ZIAGYGMSSA-N 2 0 275.440 2.857 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415119296 381790363 /nfs/dbraw/zinc/79/03/63/381790363.db2.gz KKVWFGIWRSUCJU-HUUCEWRRSA-N 2 0 292.423 2.584 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415122441 381792155 /nfs/dbraw/zinc/79/21/55/381792155.db2.gz IGGIKMXOOJQDCA-GOEBONIOSA-N 2 0 298.434 2.597 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415121409 381792322 /nfs/dbraw/zinc/79/23/22/381792322.db2.gz HDNJPJAIWNEKLW-GOEBONIOSA-N 2 0 298.434 2.802 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415121411 381793180 /nfs/dbraw/zinc/79/31/80/381793180.db2.gz HDNJPJAIWNEKLW-ZBFHGGJFSA-N 2 0 298.434 2.802 20 0 CFADRP c1ccc(O[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000415125875 381794667 /nfs/dbraw/zinc/79/46/67/381794667.db2.gz QCUHPHHOWAOGAD-KRWDZBQOSA-N 2 0 274.408 2.529 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000355683906 381794777 /nfs/dbraw/zinc/79/47/77/381794777.db2.gz PBBODHSFRLEZKZ-CABCVRRESA-N 2 0 268.445 2.606 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415074525 381760967 /nfs/dbraw/zinc/76/09/67/381760967.db2.gz ALEPYEFAPZFKEF-HNNXBMFYSA-N 2 0 252.377 2.640 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)ccc1C ZINC000415075119 381761777 /nfs/dbraw/zinc/76/17/77/381761777.db2.gz BBUCGVFZESIKIL-ZBFHGGJFSA-N 2 0 276.424 2.666 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]C1CCC([NH3+])CC1 ZINC000415076424 381763123 /nfs/dbraw/zinc/76/31/23/381763123.db2.gz GNJSODLJODGGMD-UHFFFAOYSA-N 2 0 276.424 2.932 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CCc1cccc(Cl)c1 ZINC000415084609 381769424 /nfs/dbraw/zinc/76/94/24/381769424.db2.gz GYBCKGQUCDKMRW-AWEZNQCLSA-N 2 0 254.805 2.846 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CCc2cc3ccccc3o2)CC[NH2+]1 ZINC000415088478 381772924 /nfs/dbraw/zinc/77/29/24/381772924.db2.gz MBOXXDWRBUKBPX-KBPBESRZSA-N 2 0 272.392 2.953 20 0 CFADRP CC(C)(C[NH2+]C[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000415087532 381773287 /nfs/dbraw/zinc/77/32/87/381773287.db2.gz UVYVPSNUAJJTAA-INIZCTEOSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CCc2cc3ccccc3o2)CC[NH2+]1 ZINC000415088489 381773615 /nfs/dbraw/zinc/77/36/15/381773615.db2.gz MBOXXDWRBUKBPX-ZIAGYGMSSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000415089852 381774608 /nfs/dbraw/zinc/77/46/08/381774608.db2.gz YHEYTDXDPPQPJG-IUCAKERBSA-N 2 0 293.358 2.640 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415090795 381776889 /nfs/dbraw/zinc/77/68/89/381776889.db2.gz ZPDQIGDMGFYJPT-AEFFLSMTSA-N 3 0 295.515 2.865 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415091018 381777217 /nfs/dbraw/zinc/77/72/17/381777217.db2.gz YNWWOTLCXVCKKT-AVGNSLFASA-N 2 0 280.387 2.873 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CCc1ccc(F)cc1Cl ZINC000415094717 381779144 /nfs/dbraw/zinc/77/91/44/381779144.db2.gz XUTAQVFQSMCQMK-ZDUSSCGKSA-N 2 0 272.795 2.985 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415093585 381779209 /nfs/dbraw/zinc/77/92/09/381779209.db2.gz VUXCEBMDTOHBKC-XEZPLFJOSA-N 2 0 274.408 2.660 20 0 CFADRP COc1cc2[nH+]ccc(N[C@@H](C)C[NH+](C)C)c2cc1OC ZINC000298910701 381780227 /nfs/dbraw/zinc/78/02/27/381780227.db2.gz OLAMCCCHDPXHSB-NSHDSACASA-N 2 0 289.379 2.614 20 0 CFADRP Cc1cc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000372464238 381820266 /nfs/dbraw/zinc/82/02/66/381820266.db2.gz PVGZGVLQWSPECI-INIZCTEOSA-N 2 0 290.455 2.774 20 0 CFADRP CN1CC[C@@H](C[N@H+](C)C[Si](C)(C)C)[C@@H]1c1cccnc1 ZINC000372518316 381829596 /nfs/dbraw/zinc/82/95/96/381829596.db2.gz PXZDTHMAAMIOPE-HOTGVXAUSA-N 2 0 291.515 2.884 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000355781276 381805430 /nfs/dbraw/zinc/80/54/30/381805430.db2.gz WKJAUNUWJGUWRG-UHFFFAOYSA-N 2 0 278.444 2.529 20 0 CFADRP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)O1 ZINC000372410975 381808974 /nfs/dbraw/zinc/80/89/74/381808974.db2.gz ZARGPQNQDVIHPO-MRXNPFEDSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000343576953 381809670 /nfs/dbraw/zinc/80/96/70/381809670.db2.gz TWOCAWPWDHTWLT-QAPCUYQASA-N 2 0 289.467 2.568 20 0 CFADRP CSCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000372417940 381812257 /nfs/dbraw/zinc/81/22/57/381812257.db2.gz ZLDCYDYMUJWBIT-ZDUSSCGKSA-N 2 0 268.470 2.546 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324214 381882133 /nfs/dbraw/zinc/88/21/33/381882133.db2.gz CAPLEAZSACZQJG-ONIAQPFYSA-N 2 0 289.467 2.750 20 0 CFADRP CCc1cnc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349199123 381845827 /nfs/dbraw/zinc/84/58/27/381845827.db2.gz YKPMKCZBSMYWML-CQSZACIVSA-N 2 0 293.480 2.869 20 0 CFADRP CCc1cccnc1[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000356862712 381870662 /nfs/dbraw/zinc/87/06/62/381870662.db2.gz BEIZQDBBWHIRET-BPUTZDHNSA-N 2 0 273.424 2.921 20 0 CFADRP CCOc1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292865565 381872490 /nfs/dbraw/zinc/87/24/90/381872490.db2.gz VUVXGLJELWVXRN-QGZVFWFLSA-N 2 0 274.408 2.613 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000356905793 381899052 /nfs/dbraw/zinc/89/90/52/381899052.db2.gz VNBZFQCQPOTSQX-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)CCCc1ccc(C)nc1 ZINC000349359765 381906429 /nfs/dbraw/zinc/90/64/29/381906429.db2.gz ZZDSKTPEFDHAOW-UHFFFAOYSA-N 3 0 286.423 2.850 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1cc(F)cc(F)c1 ZINC000349364122 381908227 /nfs/dbraw/zinc/90/82/27/381908227.db2.gz FTVWLEISLKWNBD-UHFFFAOYSA-N 2 0 256.340 2.738 20 0 CFADRP CC[C@H]1C[C@@H](C[N@H+](CC)CCC[NH+]2CCCC2)CCO1 ZINC000349387819 381922505 /nfs/dbraw/zinc/92/25/05/381922505.db2.gz WVGYXZJFKLLIJR-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP COCc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000292957238 381922840 /nfs/dbraw/zinc/92/28/40/381922840.db2.gz JFLHQERWGLJMEW-UHFFFAOYSA-N 2 0 280.412 2.782 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCO2 ZINC000349405390 381924566 /nfs/dbraw/zinc/92/45/66/381924566.db2.gz HVWJGNNUYCMETM-UHFFFAOYSA-N 2 0 276.424 2.785 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CC=CCC1 ZINC000362244964 381973216 /nfs/dbraw/zinc/97/32/16/381973216.db2.gz OXZNVUQPSKHCJK-SJORKVTESA-N 2 0 280.456 2.775 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)(C)C)C[C@H]1C ZINC000362180768 381946036 /nfs/dbraw/zinc/94/60/36/381946036.db2.gz JISIRMGZKNBHDF-KGLIPLIRSA-N 2 0 284.444 2.523 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000186580473 381953405 /nfs/dbraw/zinc/95/34/05/381953405.db2.gz DKALVCSVXRWNHX-UVLXDEKHSA-N 2 0 281.469 2.873 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000357000376 381953760 /nfs/dbraw/zinc/95/37/60/381953760.db2.gz VTUWOXPSAFTMME-OKZBNKHCSA-N 2 0 294.483 2.855 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCOCC[NH3+])cc1 ZINC000357085029 382003205 /nfs/dbraw/zinc/00/32/05/382003205.db2.gz QEAPYLHXIMNSRL-SJORKVTESA-N 2 0 276.424 2.538 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1nccs1 ZINC000186753056 382004023 /nfs/dbraw/zinc/00/40/23/382004023.db2.gz ISJAVYZAHBNXFV-FVCCEPFGSA-N 2 0 267.442 2.565 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000343895159 382008537 /nfs/dbraw/zinc/00/85/37/382008537.db2.gz KQZGSYURLNHWLH-GXFFZTMASA-N 2 0 272.314 2.745 20 0 CFADRP CSCCCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000186780235 382011177 /nfs/dbraw/zinc/01/11/77/382011177.db2.gz UIJCSUFFGBUMDE-UHFFFAOYSA-N 2 0 258.475 2.982 20 0 CFADRP CC[N@H+](CCOCC[NH3+])Cc1ccc2ccccc2c1 ZINC000357110328 382012151 /nfs/dbraw/zinc/01/21/51/382012151.db2.gz XBLBFHAYRLHJRE-UHFFFAOYSA-N 2 0 272.392 2.637 20 0 CFADRP Cc1ccc2nc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)cn2c1 ZINC000293065190 381974826 /nfs/dbraw/zinc/97/48/26/381974826.db2.gz VATBVSTWNUBWQI-GOSISDBHSA-N 2 0 298.434 2.560 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000349717078 381984848 /nfs/dbraw/zinc/98/48/48/381984848.db2.gz CDGBWXOCHRMQDT-AXRJEEMOSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1F ZINC000357047312 381987349 /nfs/dbraw/zinc/98/73/49/381987349.db2.gz JFYUKECBEONDLQ-MRXNPFEDSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C(C)(C)C ZINC000343988838 382051409 /nfs/dbraw/zinc/05/14/09/382051409.db2.gz OSQWUNHRNIOXPX-CYBMUJFWSA-N 2 0 279.428 2.546 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000417366015 382056507 /nfs/dbraw/zinc/05/65/07/382056507.db2.gz OKWJGINWRGPKDK-FJIDUMEYSA-N 2 0 286.419 2.720 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000300240118 382059037 /nfs/dbraw/zinc/05/90/37/382059037.db2.gz ISRSTMJTESXVNI-RRFJBIMHSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000300415883 382064465 /nfs/dbraw/zinc/06/44/65/382064465.db2.gz YSTOOHSDNMEWAS-RBSFLKMASA-N 2 0 268.445 2.510 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351323029 382037019 /nfs/dbraw/zinc/03/70/19/382037019.db2.gz DTQMEZKLVALQFJ-IAGOWNOFSA-N 2 0 281.488 2.525 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CC1(C)C ZINC000417314305 382039001 /nfs/dbraw/zinc/03/90/01/382039001.db2.gz QVZOCANFVAQNFZ-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000417318415 382039047 /nfs/dbraw/zinc/03/90/47/382039047.db2.gz YWRRFWVWNPYXRO-IKGGRYGDSA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352006987 382122855 /nfs/dbraw/zinc/12/28/55/382122855.db2.gz WPBXUBPBKMDXAV-UHFFFAOYSA-N 2 0 298.434 2.661 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000163257842 322374810 /nfs/dbraw/zinc/37/48/10/322374810.db2.gz SGPNBAMHJCRTAZ-OLZOCXBDSA-N 2 0 282.815 2.778 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000344027362 382075921 /nfs/dbraw/zinc/07/59/21/382075921.db2.gz VISJMNWFINBSMR-RBSFLKMASA-N 2 0 270.461 2.900 20 0 CFADRP Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc(C(C)C)n1 ZINC000301097961 382081245 /nfs/dbraw/zinc/08/12/45/382081245.db2.gz KOGXQTWJWJAXEC-AWEZNQCLSA-N 2 0 274.412 2.583 20 0 CFADRP CCn1cncc1CNc1ccc(CC[NH+](C)C)cc1 ZINC000417854533 382083661 /nfs/dbraw/zinc/08/36/61/382083661.db2.gz QFNSQCMRZUFGKH-UHFFFAOYSA-N 2 0 272.396 2.619 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000417862489 382087263 /nfs/dbraw/zinc/08/72/63/382087263.db2.gz CPDSYLOBGWJSGL-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293349177 382088136 /nfs/dbraw/zinc/08/81/36/382088136.db2.gz GWKAJUMACFROGV-UONOGXRCSA-N 2 0 264.413 2.934 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000417865451 382089665 /nfs/dbraw/zinc/08/96/65/382089665.db2.gz HQHCANNDNFALGT-HZPDHXFCSA-N 2 0 292.471 2.751 20 0 CFADRP CCC[N@H+](CCCC(C)C)CCN1CC[NH+](CC)CC1 ZINC000344176276 382181226 /nfs/dbraw/zinc/18/12/26/382181226.db2.gz RUVFJVYGSIHBQD-UHFFFAOYSA-N 2 0 283.504 2.772 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(CC)CC ZINC000344107602 382133989 /nfs/dbraw/zinc/13/39/89/382133989.db2.gz WZNTYWJZWDQTGF-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]2CCCO[C@@H]12 ZINC000187274485 382144604 /nfs/dbraw/zinc/14/46/04/382144604.db2.gz NUSBMGKDQFVLLR-KURKYZTESA-N 2 0 292.467 2.941 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352147597 382195456 /nfs/dbraw/zinc/19/54/56/382195456.db2.gz BDYFUNSGKLFWPC-OAHLLOKOSA-N 2 0 298.434 2.519 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000377077709 382211798 /nfs/dbraw/zinc/21/17/98/382211798.db2.gz LUPIPQSEXMSIRY-WFDRTZIDSA-N 2 0 280.456 2.793 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000362977604 382224980 /nfs/dbraw/zinc/22/49/80/382224980.db2.gz SDCKDPNWVJJHGE-ZFWWWQNUSA-N 2 0 256.434 2.510 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000377142955 382226237 /nfs/dbraw/zinc/22/62/37/382226237.db2.gz QWKLVZYCKNAGHS-OAHLLOKOSA-N 2 0 278.444 2.629 20 0 CFADRP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000357707697 382287564 /nfs/dbraw/zinc/28/75/64/382287564.db2.gz MVHLUUVUJGFFCR-UHFFFAOYSA-N 2 0 291.439 2.717 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000345154233 382288992 /nfs/dbraw/zinc/28/89/92/382288992.db2.gz IAXCTMHDADZXMH-NCOADZHNSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000187706078 382253154 /nfs/dbraw/zinc/25/31/54/382253154.db2.gz KRGKCNGMASJFGD-CQSZACIVSA-N 2 0 284.407 2.697 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000680351674 542310604 /nfs/dbraw/zinc/31/06/04/542310604.db2.gz DHKPGWUHLWSYTG-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345191434 382291391 /nfs/dbraw/zinc/29/13/91/382291391.db2.gz WFXXHJOKYBRPQQ-ALCCZGGFSA-N 2 0 272.392 2.560 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000187778676 382267647 /nfs/dbraw/zinc/26/76/47/382267647.db2.gz APTSTJLTUKDLMO-OAHLLOKOSA-N 2 0 290.455 2.948 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C[NH+](C)C ZINC000293765688 382268798 /nfs/dbraw/zinc/26/87/98/382268798.db2.gz SKHBTHJLKBAZQS-CABCVRRESA-N 2 0 286.423 2.721 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000357842286 382345478 /nfs/dbraw/zinc/34/54/78/382345478.db2.gz AKJRCAHOCSMUCN-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1sccc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000293912840 382333650 /nfs/dbraw/zinc/33/36/50/382333650.db2.gz LVZKQSBBGBLMDQ-BXUZGUMPSA-N 2 0 252.427 2.829 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1CCSC1 ZINC000346164277 382334251 /nfs/dbraw/zinc/33/42/51/382334251.db2.gz HXZGYWLAHAZWSV-HNNXBMFYSA-N 2 0 288.420 2.513 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000346225534 382337674 /nfs/dbraw/zinc/33/76/74/382337674.db2.gz RLXQWDBLPXGRJQ-HSFUPAIVSA-N 2 0 294.483 2.996 20 0 CFADRP C[C@@]1(c2ccccc2)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420294142 382346152 /nfs/dbraw/zinc/34/61/52/382346152.db2.gz ARIBJXUIZOTMJP-NVXWUHKLSA-N 2 0 258.409 2.650 20 0 CFADRP Cc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)s1 ZINC000420299854 382349009 /nfs/dbraw/zinc/34/90/09/382349009.db2.gz JPGGISKTRGQNQS-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCc2ccccc2OC)CC1 ZINC000420304064 382353249 /nfs/dbraw/zinc/35/32/49/382353249.db2.gz ILGLMZMTJDQEPH-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP Fc1cccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420304403 382353627 /nfs/dbraw/zinc/35/36/27/382353627.db2.gz OJKLMWKCXDFARO-OAHLLOKOSA-N 2 0 276.399 2.832 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CCC2 ZINC000420302662 382354183 /nfs/dbraw/zinc/35/41/83/382354183.db2.gz GIMDCCNNTZYNGJ-IRXDYDNUSA-N 2 0 274.383 2.889 20 0 CFADRP CCCC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000420302590 382354745 /nfs/dbraw/zinc/35/47/45/382354745.db2.gz MSCAFWCWYDPOQC-QGZVFWFLSA-N 2 0 289.467 2.755 20 0 CFADRP CC1CCN(C(=[NH2+])NCCC[NH+]2CCCCCC2)CC1 ZINC000303258272 382354865 /nfs/dbraw/zinc/35/48/65/382354865.db2.gz KQCBNEQHBLOTJV-UHFFFAOYSA-N 2 0 280.460 2.509 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000420305620 382356360 /nfs/dbraw/zinc/35/63/60/382356360.db2.gz PRAANJHRWPYKEM-GZBFAFLISA-N 2 0 294.464 2.563 20 0 CFADRP C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420307117 382356581 /nfs/dbraw/zinc/35/65/81/382356581.db2.gz RCHAPUMPLYIKSX-SOUVJXGZSA-N 2 0 268.470 2.736 20 0 CFADRP CC1CCN(C(=[NH2+])NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000303268186 382356681 /nfs/dbraw/zinc/35/66/81/382356681.db2.gz YKLRXBKVGDCYAL-OAHLLOKOSA-N 2 0 280.460 2.507 20 0 CFADRP Cc1sccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000293965151 382357062 /nfs/dbraw/zinc/35/70/62/382357062.db2.gz CSUGABOSPDAAPZ-LBPRGKRZSA-N 2 0 250.411 2.630 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](CO)c3ccccc32)[C@@H](C)C1 ZINC000364951229 382357502 /nfs/dbraw/zinc/35/75/02/382357502.db2.gz FEWXHNOPVLZUAO-IHETXDGRSA-N 2 0 288.435 2.527 20 0 CFADRP CC1CCN(C(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000303379909 382359106 /nfs/dbraw/zinc/35/91/06/382359106.db2.gz QPURGYNGWVULKS-MRXNPFEDSA-N 2 0 294.487 2.753 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000420311122 382360724 /nfs/dbraw/zinc/36/07/24/382360724.db2.gz GURAUWCQHITGLN-XHBSWPGZSA-N 2 0 262.372 2.872 20 0 CFADRP c1csc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCCC2)n1 ZINC000420312106 382360869 /nfs/dbraw/zinc/36/08/69/382360869.db2.gz HRHPVQFLYJJPOS-ZDUSSCGKSA-N 2 0 279.453 2.892 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000365060616 382361087 /nfs/dbraw/zinc/36/10/87/382361087.db2.gz HAPXFBYTBZKZIA-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(OC)c(OC)c1 ZINC000420317694 382363579 /nfs/dbraw/zinc/36/35/79/382363579.db2.gz NTCOOABKPOHNME-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP c1csc([C@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420316828 382364821 /nfs/dbraw/zinc/36/48/21/382364821.db2.gz MKJZAUJCSBEMBU-CHWSQXEVSA-N 2 0 265.426 2.670 20 0 CFADRP CCc1csc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420321370 382366120 /nfs/dbraw/zinc/36/61/20/382366120.db2.gz RCAYJMSPPOIMRH-ZIAGYGMSSA-N 2 0 293.480 2.885 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cscc1Cl ZINC000680484063 542330752 /nfs/dbraw/zinc/33/07/52/542330752.db2.gz TYFKHCBWPSQHDS-UHFFFAOYSA-N 2 0 290.860 2.850 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2C(C)C)cc1 ZINC000420319460 382366743 /nfs/dbraw/zinc/36/67/43/382366743.db2.gz POIQVLABCVUTEK-NVXWUHKLSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420321020 382367043 /nfs/dbraw/zinc/36/70/43/382367043.db2.gz CCRUSJSQARUYBC-XYPHTWIQSA-N 2 0 274.408 2.576 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420324941 382368176 /nfs/dbraw/zinc/36/81/76/382368176.db2.gz VXEYQGZWEXOJFI-ROUUACIJSA-N 3 0 293.499 2.574 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cs1 ZINC000420322286 382368247 /nfs/dbraw/zinc/36/82/47/382368247.db2.gz SJPVVOLIAVSRGF-OCCSQVGLSA-N 2 0 250.411 2.885 20 0 CFADRP C(CN1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000420322284 382368749 /nfs/dbraw/zinc/36/87/49/382368749.db2.gz SKVZKQIWKRMRHT-KRWDZBQOSA-N 2 0 293.499 2.574 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCc2c1cccc2Cl ZINC000420321746 382369125 /nfs/dbraw/zinc/36/91/25/382369125.db2.gz RPKOZLNHMMJVHK-UEKVPHQBSA-N 2 0 264.800 2.996 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420323552 382369404 /nfs/dbraw/zinc/36/94/04/382369404.db2.gz YPOSFTRCZZCREG-AWEZNQCLSA-N 2 0 286.778 2.529 20 0 CFADRP c1ccc(N2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420327026 382370407 /nfs/dbraw/zinc/37/04/07/382370407.db2.gz YFJBYUFLBUFGRW-KRWDZBQOSA-N 2 0 287.451 2.588 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420327798 382370682 /nfs/dbraw/zinc/37/06/82/382370682.db2.gz YTPLGKHSLLBKMH-OLZOCXBDSA-N 2 0 250.411 2.885 20 0 CFADRP Fc1cccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420328380 382371320 /nfs/dbraw/zinc/37/13/20/382371320.db2.gz ZGSOELFQKKKDNA-CYBMUJFWSA-N 2 0 262.372 2.790 20 0 CFADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420326020 382371472 /nfs/dbraw/zinc/37/14/72/382371472.db2.gz WYDCJWFZDFNPTI-JKSUJKDBSA-N 2 0 290.455 2.564 20 0 CFADRP Cc1ncc(C[N@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352506904 382373227 /nfs/dbraw/zinc/37/32/27/382373227.db2.gz BAKJHLLCDCOWJA-UHFFFAOYSA-N 2 0 267.442 2.793 20 0 CFADRP c1cc(CCC[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000420336392 382374574 /nfs/dbraw/zinc/37/45/74/382374574.db2.gz MGQDFJPCANCQCR-UHFFFAOYSA-N 2 0 264.438 2.756 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344476 382376756 /nfs/dbraw/zinc/37/67/56/382376756.db2.gz TVJVDEUMVSTNHE-DLBZAZTESA-N 2 0 288.435 2.695 20 0 CFADRP Fc1cccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420344547 382377523 /nfs/dbraw/zinc/37/75/23/382377523.db2.gz UCIAHLAPFKDNPZ-QGZVFWFLSA-N 2 0 292.398 2.669 20 0 CFADRP Cc1ccc([C@@]2(C)CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420353872 382378816 /nfs/dbraw/zinc/37/88/16/382378816.db2.gz CJRGPOALVMNMHG-WMZOPIPTSA-N 2 0 272.436 2.958 20 0 CFADRP Cc1cc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)ccc1F ZINC000420358961 382381670 /nfs/dbraw/zinc/38/16/70/382381670.db2.gz JYAFEJYQLVBSQN-RHSMWYFYSA-N 2 0 292.398 2.507 20 0 CFADRP C[C@H](C[N@H+](C)CC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000420359791 382382195 /nfs/dbraw/zinc/38/21/95/382382195.db2.gz KUZCCGDTDHBKLX-OLZOCXBDSA-N 2 0 267.442 2.568 20 0 CFADRP c1nn([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000420357998 382382329 /nfs/dbraw/zinc/38/23/29/382382329.db2.gz IOIGCZLNVSVGNP-NVXWUHKLSA-N 2 0 298.434 2.673 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420362591 382383235 /nfs/dbraw/zinc/38/32/35/382383235.db2.gz AXDFWMJJMHOAHJ-NWDGAFQWSA-N 2 0 252.789 2.990 20 0 CFADRP COc1ccc(F)c(CNCCC[N@H+](C)C(C)C)c1 ZINC000294027196 382384459 /nfs/dbraw/zinc/38/44/59/382384459.db2.gz HUZLBWMFYZJBSC-UHFFFAOYSA-N 2 0 268.376 2.654 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420363998 382384724 /nfs/dbraw/zinc/38/47/24/382384724.db2.gz CIPFFYBTHQCMEY-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420395849 382398091 /nfs/dbraw/zinc/39/80/91/382398091.db2.gz DRVVDLBBOVUUTN-XJKSGUPXSA-N 2 0 276.424 2.599 20 0 CFADRP C[NH+](C)CCCN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346494486 382385616 /nfs/dbraw/zinc/38/56/16/382385616.db2.gz UOSNFTUJIHRTJL-KRWDZBQOSA-N 2 0 287.382 2.851 20 0 CFADRP Cc1csc(CN(CCC[NH3+])CC2CCCC2)n1 ZINC000352540417 382386629 /nfs/dbraw/zinc/38/66/29/382386629.db2.gz KXAOPDDYDUSZAE-UHFFFAOYSA-N 2 0 267.442 2.793 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420369210 382389594 /nfs/dbraw/zinc/38/95/94/382389594.db2.gz UTCAMLHPVWGKID-HNNXBMFYSA-N 2 0 276.424 2.660 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420367752 382389614 /nfs/dbraw/zinc/38/96/14/382389614.db2.gz VZKSGHXJERICMJ-SJLPKXTDSA-N 2 0 287.451 2.953 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420369348 382389620 /nfs/dbraw/zinc/38/96/20/382389620.db2.gz IRQFXKLEDAMNHQ-NWDGAFQWSA-N 2 0 284.350 2.938 20 0 CFADRP CCn1nc(C)c(C[N@H+](CCC[NH3+])CC2CCCC2)c1C ZINC000352546619 382391675 /nfs/dbraw/zinc/39/16/75/382391675.db2.gz XZMRSMDYUPWMQW-UHFFFAOYSA-N 2 0 292.471 2.861 20 0 CFADRP C(C[N@@H+]1CCO[C@H](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420375719 382392926 /nfs/dbraw/zinc/39/29/26/382392926.db2.gz POUJPEXEYMMXHR-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1COc2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420379376 382394968 /nfs/dbraw/zinc/39/49/68/382394968.db2.gz VNQJISBFOYJVMU-GJZGRUSLSA-N 2 0 274.408 2.659 20 0 CFADRP CN(CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420389298 382396072 /nfs/dbraw/zinc/39/60/72/382396072.db2.gz HOOORZORBLDTKL-WMZOPIPTSA-N 2 0 287.451 2.587 20 0 CFADRP CCc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000420295289 382346995 /nfs/dbraw/zinc/34/69/95/382346995.db2.gz VDYMHZSOWYSIGN-UHFFFAOYSA-N 2 0 276.424 2.579 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000420296361 382348271 /nfs/dbraw/zinc/34/82/71/382348271.db2.gz BOLORRICDLUZPH-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000680469162 542327788 /nfs/dbraw/zinc/32/77/88/542327788.db2.gz FWFIEGQTMCUICE-AAEUAGOBSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000358037018 382422059 /nfs/dbraw/zinc/42/20/59/382422059.db2.gz LPJYEKKAPSGKGY-XJKSGUPXSA-N 2 0 296.455 2.989 20 0 CFADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000365633324 382426596 /nfs/dbraw/zinc/42/65/96/382426596.db2.gz VBMKWYJJMYCKCP-ZDUSSCGKSA-N 2 0 286.379 2.665 20 0 CFADRP Cc1cccnc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365633319 382427024 /nfs/dbraw/zinc/42/70/24/382427024.db2.gz UZQQKXQMLFGPBJ-CQSZACIVSA-N 2 0 270.380 2.503 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415033764 296329795 /nfs/dbraw/zinc/32/97/95/296329795.db2.gz JHQDJHNNACWIHR-LMSBXDPUSA-N 3 0 293.499 2.747 20 0 CFADRP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000346597993 382430155 /nfs/dbraw/zinc/43/01/55/382430155.db2.gz AJZMAQVWHLDQMS-GASCZTMLSA-N 2 0 299.418 2.568 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000294138459 382431125 /nfs/dbraw/zinc/43/11/25/382431125.db2.gz HIEFOUXHJBSRKK-GDBMZVCRSA-N 2 0 276.424 2.645 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000358054953 382431422 /nfs/dbraw/zinc/43/14/22/382431422.db2.gz BCXNACLXAPUPEW-OAHLLOKOSA-N 2 0 256.434 2.510 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2(O)CCC(C)CC2)CC1 ZINC000305219650 382435824 /nfs/dbraw/zinc/43/58/24/382435824.db2.gz SSIYJACBDCNMBP-UHFFFAOYSA-N 2 0 282.472 2.734 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420409175 382401800 /nfs/dbraw/zinc/40/18/00/382401800.db2.gz WRDRNICMOUBXRY-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP [NH3+]CC1(O)CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000420410009 382401822 /nfs/dbraw/zinc/40/18/22/382401822.db2.gz ZGIHDUKTCQHZNA-UHFFFAOYSA-N 2 0 298.430 2.558 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nc(C2CC2)no1 ZINC000420414054 382403136 /nfs/dbraw/zinc/40/31/36/382403136.db2.gz UFQSSUBVYFZXMO-JSGCOSHPSA-N 2 0 292.427 2.623 20 0 CFADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420413161 382403677 /nfs/dbraw/zinc/40/36/77/382403677.db2.gz SSPNPIQXISXUNP-OLZOCXBDSA-N 2 0 294.443 2.958 20 0 CFADRP C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000420413202 382403878 /nfs/dbraw/zinc/40/38/78/382403878.db2.gz SURPPOAMSXVOSM-AEFFLSMTSA-N 2 0 290.451 2.553 20 0 CFADRP Cc1c[nH]nc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378132362 382404475 /nfs/dbraw/zinc/40/44/75/382404475.db2.gz QJTMMMLXYWPHLO-QGZVFWFLSA-N 2 0 298.434 2.672 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000378134013 382404830 /nfs/dbraw/zinc/40/48/30/382404830.db2.gz IHVVCUOWSSLIAQ-CQSZACIVSA-N 2 0 268.470 2.690 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCO1 ZINC000346547719 382407534 /nfs/dbraw/zinc/40/75/34/382407534.db2.gz CNIJIEOMTYVWCC-WBMJQRKESA-N 2 0 280.387 2.544 20 0 CFADRP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000346562695 382414000 /nfs/dbraw/zinc/41/40/00/382414000.db2.gz QXCCLMHPIMEEJG-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCCC2)[C@H](C)C1 ZINC000358026882 382417767 /nfs/dbraw/zinc/41/77/67/382417767.db2.gz VNVLLAXFCCJVQP-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000346647074 382454329 /nfs/dbraw/zinc/45/43/29/382454329.db2.gz FRXOEHPBSPYQIQ-UHFFFAOYSA-N 2 0 286.423 2.802 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1cnc(C2CCC2)s1 ZINC000346652009 382456296 /nfs/dbraw/zinc/45/62/96/382456296.db2.gz DJSWXKDUKCWZMU-GHMZBOCLSA-N 2 0 265.426 2.580 20 0 CFADRP CC(C)(C)c1ncc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000346658606 382458578 /nfs/dbraw/zinc/45/85/78/382458578.db2.gz ROFUJWDQWIZFAP-UHFFFAOYSA-N 2 0 267.442 2.611 20 0 CFADRP CCCOc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346669901 382463878 /nfs/dbraw/zinc/46/38/78/382463878.db2.gz JENLJOWQWQUAKV-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)c(C2CCCCC2)n1 ZINC000346679793 382467369 /nfs/dbraw/zinc/46/73/69/382467369.db2.gz AZMOBKGEPYQAJM-UHFFFAOYSA-N 2 0 290.455 2.639 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000346677711 382467628 /nfs/dbraw/zinc/46/76/28/382467628.db2.gz LIHWWOFEHKLICU-DZGCQCFKSA-N 2 0 284.407 2.554 20 0 CFADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(Cl)c1OC ZINC000346689107 382472356 /nfs/dbraw/zinc/47/23/56/382472356.db2.gz PCKSDMUJIKWSBQ-UHFFFAOYSA-N 2 0 298.814 2.528 20 0 CFADRP CC1(C[NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)COC1 ZINC000352756402 382468930 /nfs/dbraw/zinc/46/89/30/382468930.db2.gz QACBABISLMTLML-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000346691102 382474483 /nfs/dbraw/zinc/47/44/83/382474483.db2.gz VEOHAMHETYZXCM-ZFWWWQNUSA-N 2 0 274.408 2.645 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352809121 382476752 /nfs/dbraw/zinc/47/67/52/382476752.db2.gz FWYZMSAXJQWQSL-DYEKYZERSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000346694525 382477991 /nfs/dbraw/zinc/47/79/91/382477991.db2.gz URWROZQLTUMMLV-KGLIPLIRSA-N 2 0 284.407 2.554 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000358162736 382479314 /nfs/dbraw/zinc/47/93/14/382479314.db2.gz SJJIHCDMTWNUTO-SJORKVTESA-N 2 0 258.409 2.754 20 0 CFADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000378527096 382479634 /nfs/dbraw/zinc/47/96/34/382479634.db2.gz CBLYDGHQOTWLAU-IAGOWNOFSA-N 2 0 294.483 2.780 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)[C@H](C)C1 ZINC000358189517 382496711 /nfs/dbraw/zinc/49/67/11/382496711.db2.gz MXSJKXSYIFJTJZ-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2C)CC[NH+](C)CC1 ZINC000353194969 382525035 /nfs/dbraw/zinc/52/50/35/382525035.db2.gz QHJUYSRWYBXIJY-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CCCCOc1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC000382058623 382527299 /nfs/dbraw/zinc/52/72/99/382527299.db2.gz JWLISFCDADCULI-UHFFFAOYSA-N 2 0 250.386 2.646 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346815614 382527324 /nfs/dbraw/zinc/52/73/24/382527324.db2.gz CWQUQKQOLBQZSW-XIRDDKMYSA-N 2 0 296.418 2.554 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000310851340 382499181 /nfs/dbraw/zinc/49/91/81/382499181.db2.gz JDECSGBUSUZUTA-MGWQBKBZSA-N 2 0 250.430 2.918 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000311137112 382501984 /nfs/dbraw/zinc/50/19/84/382501984.db2.gz BLVNZWZTTFEZID-MJBXVCDLSA-N 2 0 272.383 2.886 20 0 CFADRP CCCN(CC[NH+](CC)CC)CC[NH+]1CCCCC1 ZINC000353175206 382513337 /nfs/dbraw/zinc/51/33/37/382513337.db2.gz XUMXYCXKYJTFFO-UHFFFAOYSA-N 2 0 269.477 2.526 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000383009703 382538543 /nfs/dbraw/zinc/53/85/43/382538543.db2.gz AUZCNRUWIANFOF-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)([NH3+])CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000346843968 382540987 /nfs/dbraw/zinc/54/09/87/382540987.db2.gz KJUBBTRFLSUWNZ-UHFFFAOYSA-N 2 0 295.858 2.585 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000366722750 382543872 /nfs/dbraw/zinc/54/38/72/382543872.db2.gz YGGGRSREGGXHFP-GOSISDBHSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)CCN(Cc1cccs1)CC(C)(C)[NH3+] ZINC000346852294 382544195 /nfs/dbraw/zinc/54/41/95/382544195.db2.gz XAVIMMIOUWOAJI-UHFFFAOYSA-N 2 0 283.485 2.629 20 0 CFADRP Cc1ccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346851136 382544710 /nfs/dbraw/zinc/54/47/10/382544710.db2.gz QMSKMRXSLAKGRC-MRXNPFEDSA-N 2 0 288.435 2.838 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346853776 382546031 /nfs/dbraw/zinc/54/60/31/382546031.db2.gz ALROEMJOSLXSDR-LSDHHAIUSA-N 2 0 291.414 2.844 20 0 CFADRP Cc1ccn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000366767641 382549334 /nfs/dbraw/zinc/54/93/34/382549334.db2.gz XLQMSBHPWAJGBX-UHFFFAOYSA-N 2 0 290.455 2.704 20 0 CFADRP OCCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000358303319 382557529 /nfs/dbraw/zinc/55/75/29/382557529.db2.gz RPRLTCUHTUWBMZ-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000353553292 382558093 /nfs/dbraw/zinc/55/80/93/382558093.db2.gz RBNZJTDLCNMCRK-SJORKVTESA-N 2 0 292.471 2.906 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000353539250 382558699 /nfs/dbraw/zinc/55/86/99/382558699.db2.gz KNYHCBASNNLFNF-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000295097487 382576905 /nfs/dbraw/zinc/57/69/05/382576905.db2.gz SYPKPICIFGBMTL-QZTJIDSGSA-N 2 0 290.451 2.518 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)no1 ZINC000353584322 382564676 /nfs/dbraw/zinc/56/46/76/382564676.db2.gz GGZUSBNTKKVPOM-HIFPTAJRSA-N 2 0 251.374 2.506 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000680637849 542343078 /nfs/dbraw/zinc/34/30/78/542343078.db2.gz UCUKNGNPUXIGMF-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353603603 382574729 /nfs/dbraw/zinc/57/47/29/382574729.db2.gz GYTLOHWLYWWRNX-ULQDDVLXSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCN1C ZINC000353256552 382531113 /nfs/dbraw/zinc/53/11/13/382531113.db2.gz ZQSZXYCQCNPPLF-OVYGPGRDSA-N 2 0 280.456 2.654 20 0 CFADRP C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000353294277 382534238 /nfs/dbraw/zinc/53/42/38/382534238.db2.gz UNWHUWPVLBTEBU-UYTYNIKBSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000319472328 382534982 /nfs/dbraw/zinc/53/49/82/382534982.db2.gz QSQINYOBKZSOQF-ROUUACIJSA-N 2 0 290.451 2.913 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353625054 382584209 /nfs/dbraw/zinc/58/42/09/382584209.db2.gz VIZIMKXJGGNOCW-WOPDTQHZSA-N 2 0 296.402 2.744 20 0 CFADRP Clc1cccc(C2([NH2+]CC3CC[NH2+]CC3)CC2)c1 ZINC000346964737 382589927 /nfs/dbraw/zinc/58/99/27/382589927.db2.gz BVCWYFVQNMWKFJ-UHFFFAOYSA-N 2 0 264.800 2.918 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000386772324 382591961 /nfs/dbraw/zinc/59/19/61/382591961.db2.gz IFXHJCXZZHFFQF-FUHWJXTLSA-N 2 0 288.435 2.756 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000386887106 382593328 /nfs/dbraw/zinc/59/33/28/382593328.db2.gz NBHOJICIYBUYIF-OALUTQOASA-N 2 0 295.430 2.853 20 0 CFADRP Cc1ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)s1 ZINC000387313490 382597233 /nfs/dbraw/zinc/59/72/33/382597233.db2.gz LLNNLLNAGJVIIO-UHFFFAOYSA-N 2 0 255.431 2.662 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000358396603 382599331 /nfs/dbraw/zinc/59/93/31/382599331.db2.gz IXIZWLZITBDXMJ-ZQIUZPCESA-N 2 0 276.424 2.556 20 0 CFADRP CCOCCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000388310079 382604888 /nfs/dbraw/zinc/60/48/88/382604888.db2.gz TXMLCQBKXLVIQB-LSDHHAIUSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCCOC1 ZINC000388738723 382609428 /nfs/dbraw/zinc/60/94/28/382609428.db2.gz IDHSPVRTXRQSKU-GVAFMPQTSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)(F)F ZINC000389477228 382615314 /nfs/dbraw/zinc/61/53/14/382615314.db2.gz PQYBYHLAGCUVPU-LLVKDONJSA-N 2 0 269.339 2.684 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000389949679 382616888 /nfs/dbraw/zinc/61/68/88/382616888.db2.gz RYXDUKHZCAENRX-CABCVRRESA-N 2 0 264.413 2.699 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390518454 382617911 /nfs/dbraw/zinc/61/79/11/382617911.db2.gz DXVYVAJKFKXXAG-KURKYZTESA-N 2 0 287.451 2.511 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c[nH]nc3c2)C[C@H]1C ZINC000353735289 382621021 /nfs/dbraw/zinc/62/10/21/382621021.db2.gz DETOISMHABSTHY-CZUORRHYSA-N 2 0 286.423 2.868 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000367620588 382578024 /nfs/dbraw/zinc/57/80/24/382578024.db2.gz YJNXZXKGWRMSRE-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCOC1 ZINC000358345376 382580136 /nfs/dbraw/zinc/58/01/36/382580136.db2.gz NQXNLSUOFUKGPU-BBWFWOEESA-N 2 0 282.472 2.759 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000190629400 382675832 /nfs/dbraw/zinc/67/58/32/382675832.db2.gz QSDVOYDZOSPMOO-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000336848052 382734629 /nfs/dbraw/zinc/73/46/29/382734629.db2.gz HDYXMNAMPWRYBV-AEFFLSMTSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@H]([NH3+])CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000193299676 382718339 /nfs/dbraw/zinc/71/83/39/382718339.db2.gz RPKNUZWETCMSIH-AWEZNQCLSA-N 2 0 289.423 2.738 20 0 CFADRP CCO[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000193426792 382719761 /nfs/dbraw/zinc/71/97/61/382719761.db2.gz HMETXVCNPAFSIX-PVAVHDDUSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@@H]1C[N@@H+](CCN(C)c2cc[nH+]c3ccccc32)C[C@H](C)O1 ZINC000193738683 382723869 /nfs/dbraw/zinc/72/38/69/382723869.db2.gz HQBHZVDCPACNJZ-GASCZTMLSA-N 2 0 299.418 2.780 20 0 CFADRP FC(F)(F)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000336832096 382726417 /nfs/dbraw/zinc/72/64/17/382726417.db2.gz FBXOATPGVJCBMS-CHWSQXEVSA-N 2 0 294.361 2.562 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H](C)CCC[NH3+])c1ccccc1 ZINC000336838059 382730270 /nfs/dbraw/zinc/73/02/70/382730270.db2.gz MRMBDPXXHQPGHT-NVXWUHKLSA-N 2 0 277.456 2.787 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000336845812 382733699 /nfs/dbraw/zinc/73/36/99/382733699.db2.gz FJEXNDVIOPQZQL-IAGOWNOFSA-N 2 0 292.471 2.619 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219308503 382793435 /nfs/dbraw/zinc/79/34/35/382793435.db2.gz DJXQJVONTQIUGE-ZDUSSCGKSA-N 2 0 282.453 2.637 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000337232407 382781508 /nfs/dbraw/zinc/78/15/08/382781508.db2.gz JMNGQQXMGHDLQI-HNNXBMFYSA-N 2 0 291.439 2.894 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000216013020 382781734 /nfs/dbraw/zinc/78/17/34/382781734.db2.gz NYHMOBWQBXDHJQ-STQMWFEESA-N 2 0 274.408 2.569 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCSC2CCCCC2)C1 ZINC000337254011 382786854 /nfs/dbraw/zinc/78/68/54/382786854.db2.gz QDSIOMNUCFMRGA-CQSZACIVSA-N 2 0 270.486 2.936 20 0 CFADRP C[NH+](C)CCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000337255514 382787398 /nfs/dbraw/zinc/78/73/98/382787398.db2.gz RRXHNBJMVXWQEL-UHFFFAOYSA-N 2 0 254.805 2.766 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)s1 ZINC000219319938 382793078 /nfs/dbraw/zinc/79/30/78/382793078.db2.gz FZLUCFLAUSQZCX-SNVBAGLBSA-N 2 0 276.833 2.630 20 0 CFADRP CC(C)CCOCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337084516 382759264 /nfs/dbraw/zinc/75/92/64/382759264.db2.gz YSRJIGQCVNCKKS-QZTJIDSGSA-N 2 0 290.451 2.723 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000219309915 382793251 /nfs/dbraw/zinc/79/32/51/382793251.db2.gz CQXUKCPRVFJFCC-OAHLLOKOSA-N 2 0 284.831 2.959 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC000228473486 382847047 /nfs/dbraw/zinc/84/70/47/382847047.db2.gz MHYZOMMBGCQXGL-KZNAEPCWSA-N 2 0 270.420 2.735 20 0 CFADRP COc1ccc(Cl)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471483 382847162 /nfs/dbraw/zinc/84/71/62/382847162.db2.gz BGLYYYHVDUSKPH-NILFDRSVSA-N 2 0 294.826 2.908 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000228494815 382847618 /nfs/dbraw/zinc/84/76/18/382847618.db2.gz ICCRCZCHFRUXCU-LLVKDONJSA-N 2 0 294.826 2.834 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533516 382847634 /nfs/dbraw/zinc/84/76/34/382847634.db2.gz SJRAQEJRJLWCEB-NUEKZKHPSA-N 2 0 262.372 2.693 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000228536339 382847654 /nfs/dbraw/zinc/84/76/54/382847654.db2.gz JGCOXOQKMWFFBC-GVDBMIGSSA-N 2 0 258.409 2.863 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000577109163 382848446 /nfs/dbraw/zinc/84/84/46/382848446.db2.gz HFAMGJPUUVLCHG-MRXNPFEDSA-N 2 0 298.434 2.660 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1ccc(F)cn1 ZINC000221038214 382796758 /nfs/dbraw/zinc/79/67/58/382796758.db2.gz AFBHFRWIJZDPQE-GFCCVEGCSA-N 2 0 253.365 2.602 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(C(C)C)cc1 ZINC000575795078 382799227 /nfs/dbraw/zinc/79/92/27/382799227.db2.gz KONZECFRGFYCKW-QGZVFWFLSA-N 2 0 278.440 2.696 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C)C(C)(C)C2)CC1 ZINC000337317785 382800232 /nfs/dbraw/zinc/80/02/32/382800232.db2.gz LTKFRTFUKSYHBR-KRWDZBQOSA-N 2 0 295.515 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000224283944 382809890 /nfs/dbraw/zinc/80/98/90/382809890.db2.gz SPLQNRNJGKSBCP-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000224457335 382811296 /nfs/dbraw/zinc/81/12/96/382811296.db2.gz LYSKDHYTFGONLN-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000337384718 382813327 /nfs/dbraw/zinc/81/33/27/382813327.db2.gz GZRUIJQILFIYAG-LSDHHAIUSA-N 2 0 293.455 2.573 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000337384714 382813409 /nfs/dbraw/zinc/81/34/09/382813409.db2.gz GZRUIJQILFIYAG-GJZGRUSLSA-N 2 0 293.455 2.573 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000576218798 382814527 /nfs/dbraw/zinc/81/45/27/382814527.db2.gz UUSPSWRPVRYRNM-ZIAGYGMSSA-N 2 0 264.413 2.776 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000225397052 382815414 /nfs/dbraw/zinc/81/54/14/382815414.db2.gz OKDYZMXPXMSGCS-GRDNDAEWSA-N 2 0 276.424 2.651 20 0 CFADRP CSCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000229211279 382851194 /nfs/dbraw/zinc/85/11/94/382851194.db2.gz PMMPLNBMNRZBAG-MCIONIFRSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000576478874 382824205 /nfs/dbraw/zinc/82/42/05/382824205.db2.gz FWGQGVWYETYFQN-RTXFEEFZSA-N 2 0 268.351 2.928 20 0 CFADRP c1c[nH]c([C@H]2CCC[N@@H+](Cc3cc4cccnc4o3)C2)n1 ZINC000576546946 382826593 /nfs/dbraw/zinc/82/65/93/382826593.db2.gz ACMZUCDLJOYKHQ-ZDUSSCGKSA-N 2 0 282.347 2.931 20 0 CFADRP COc1ccc(Cl)cc1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000226435134 382828618 /nfs/dbraw/zinc/82/86/18/382828618.db2.gz SZPAZKARRQBORV-GFCCVEGCSA-N 2 0 282.815 2.780 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000337511133 382834467 /nfs/dbraw/zinc/83/44/67/382834467.db2.gz RLGSCTSVQIMZME-CQSZACIVSA-N 2 0 276.424 2.641 20 0 CFADRP CCc1cc(OC)ccc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000337512767 382835024 /nfs/dbraw/zinc/83/50/24/382835024.db2.gz SKISVERMEYXRMG-CQSZACIVSA-N 2 0 276.424 2.641 20 0 CFADRP COCc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227330162 382835600 /nfs/dbraw/zinc/83/56/00/382835600.db2.gz UTFNJGAFKGSXGA-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CCOC)C1 ZINC000337535557 382838414 /nfs/dbraw/zinc/83/84/14/382838414.db2.gz XSMVNVHTSWHRGW-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337540672 382839315 /nfs/dbraw/zinc/83/93/15/382839315.db2.gz IFOQPOORDVFZID-RFQIPJPRSA-N 2 0 288.382 2.753 20 0 CFADRP C[C@H]1C[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000228303121 382845921 /nfs/dbraw/zinc/84/59/21/382845921.db2.gz BVWQLPIQBFRTJW-CVYDXHPNSA-N 2 0 293.499 2.712 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(C)(C)CC)C2)CC1 ZINC000441314020 382906488 /nfs/dbraw/zinc/90/64/88/382906488.db2.gz HDYNDLPVSXYXAL-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000577243540 382853174 /nfs/dbraw/zinc/85/31/74/382853174.db2.gz KFGNBYKFZPRRRA-YESZJQIVSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000577620807 382864855 /nfs/dbraw/zinc/86/48/55/382864855.db2.gz VINWXYFULICWQU-VYESFELBSA-N 2 0 292.427 2.524 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000577655229 382866726 /nfs/dbraw/zinc/86/67/26/382866726.db2.gz CYCCYILHKJYWCZ-ARFHVFGLSA-N 2 0 284.488 2.884 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN(C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000577676408 382867059 /nfs/dbraw/zinc/86/70/59/382867059.db2.gz CVOPOOJUFVXUIJ-KBAYOESNSA-N 2 0 290.451 2.912 20 0 CFADRP C[NH2+]C[C@H]1CCN(Cc2ccc(C)c(Cl)c2)C1 ZINC000234407702 382874140 /nfs/dbraw/zinc/87/41/40/382874140.db2.gz IPBMTFVYSSDOPY-CYBMUJFWSA-N 2 0 252.789 2.690 20 0 CFADRP C[NH2+]C[C@@H]1CCN(Cc2ccc(C)c(Cl)c2)C1 ZINC000234407787 382874166 /nfs/dbraw/zinc/87/41/66/382874166.db2.gz IPBMTFVYSSDOPY-ZDUSSCGKSA-N 2 0 252.789 2.690 20 0 CFADRP Cc1nc(CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH]c1C ZINC000578027039 382884538 /nfs/dbraw/zinc/88/45/38/382884538.db2.gz LOXDNXMYQZZSJK-GUYCJALGSA-N 2 0 298.434 2.637 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578323647 382910972 /nfs/dbraw/zinc/91/09/72/382910972.db2.gz RFZDXWMVCXJWFV-IAGOWNOFSA-N 2 0 288.435 2.614 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000337985972 382889115 /nfs/dbraw/zinc/88/91/15/382889115.db2.gz MYWYEJPOANCRSQ-QLFBSQMISA-N 2 0 256.409 2.836 20 0 CFADRP COc1ccccc1SC[C@@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422946908 532960896 /nfs/dbraw/zinc/96/08/96/532960896.db2.gz PRSCPCFEAOAMFE-QWHCGFSZSA-N 2 0 294.464 2.621 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337995438 382894226 /nfs/dbraw/zinc/89/42/26/382894226.db2.gz MPJTUXNJJHDZDV-CABCVRRESA-N 2 0 256.409 2.836 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000338010149 382900191 /nfs/dbraw/zinc/90/01/91/382900191.db2.gz YGBCVMBDYNACNB-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1(C)C ZINC000338014706 382902578 /nfs/dbraw/zinc/90/25/78/382902578.db2.gz WTFZQVDMQOUZKM-HZPDHXFCSA-N 2 0 299.478 2.520 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1(C)C ZINC000338014708 382902658 /nfs/dbraw/zinc/90/26/58/382902658.db2.gz WTFZQVDMQOUZKM-JKSUJKDBSA-N 2 0 299.478 2.520 20 0 CFADRP C(=C/c1ccncc1)\C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000494943736 382944119 /nfs/dbraw/zinc/94/41/19/382944119.db2.gz ZJAFSYQVHWVKNO-REMYHPOOSA-N 2 0 294.402 2.924 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C1 ZINC000578668625 382944518 /nfs/dbraw/zinc/94/45/18/382944518.db2.gz JKDJDKKWGWJKNR-QLFBSQMISA-N 2 0 282.815 2.623 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423155650 532964121 /nfs/dbraw/zinc/96/41/21/532964121.db2.gz JQPBVXFHNIOIFE-ZJUUUORDSA-N 2 0 274.767 2.573 20 0 CFADRP Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000237037313 382946010 /nfs/dbraw/zinc/94/60/10/382946010.db2.gz ZBXPPQUETKMFOR-DZGCQCFKSA-N 2 0 289.423 2.513 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000578738447 382948331 /nfs/dbraw/zinc/94/83/31/382948331.db2.gz XJHJQRSFLWQFIN-GFCCVEGCSA-N 2 0 282.378 2.875 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc(C)n1 ZINC000421860589 382951143 /nfs/dbraw/zinc/95/11/43/382951143.db2.gz UHXALJRCUCOYLQ-ZACQAIPSSA-N 2 0 273.424 2.661 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc1 ZINC000535083024 382951524 /nfs/dbraw/zinc/95/15/24/382951524.db2.gz NKJFPPTYJJKMNI-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC000442764596 382953084 /nfs/dbraw/zinc/95/30/84/382953084.db2.gz CTNHLPXZRXQOGB-NWDGAFQWSA-N 2 0 289.354 2.650 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000422837585 532964426 /nfs/dbraw/zinc/96/44/26/532964426.db2.gz MHNNJCDYXKBNGK-CABCVRRESA-N 2 0 264.413 2.699 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000578337448 382913167 /nfs/dbraw/zinc/91/31/67/382913167.db2.gz GPMMSCNRYYGFKV-FGTMMUONSA-N 2 0 287.451 2.683 20 0 CFADRP COc1nc2ccccc2cc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000534272412 382919304 /nfs/dbraw/zinc/91/93/04/382919304.db2.gz GXJLKUMPFHIJFT-BBRMVZONSA-N 2 0 299.418 2.816 20 0 CFADRP Cc1n[nH]c(C)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534347207 382929561 /nfs/dbraw/zinc/92/95/61/382929561.db2.gz ZMPLPVHUDMDFAW-UHFFFAOYSA-N 2 0 278.444 2.579 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000578994843 382972675 /nfs/dbraw/zinc/97/26/75/382972675.db2.gz QJACUAJZYNPXGY-ZDUSSCGKSA-N 2 0 250.411 2.813 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422562942 382973383 /nfs/dbraw/zinc/97/33/83/382973383.db2.gz RCRTYAVVEUIFCR-AIANPOQGSA-N 2 0 282.472 2.744 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422706684 382975492 /nfs/dbraw/zinc/97/54/92/382975492.db2.gz UVMYFVLDAUIDOO-MJBXVCDLSA-N 2 0 289.423 2.590 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422737110 382976341 /nfs/dbraw/zinc/97/63/41/382976341.db2.gz HMUFOYHHRONIFK-MSOLQXFVSA-N 2 0 287.451 2.843 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc21 ZINC000422712743 382976595 /nfs/dbraw/zinc/97/65/95/382976595.db2.gz IUIZJKCHEMMIOX-HPUBIQBYSA-N 2 0 287.451 2.545 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422767999 382977336 /nfs/dbraw/zinc/97/73/36/382977336.db2.gz TYULXJVPEVYEHT-HOAMVYINSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422754217 382977396 /nfs/dbraw/zinc/97/73/96/382977396.db2.gz GRVLVDWPVWUVMG-XHSDSOJGSA-N 3 0 283.504 2.850 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422765749 382977550 /nfs/dbraw/zinc/97/75/50/382977550.db2.gz LBNUOPKNHUKCSB-CZUORRHYSA-N 2 0 276.399 2.835 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1COc2ccccc2C1 ZINC000422790074 382979069 /nfs/dbraw/zinc/97/90/69/382979069.db2.gz URDHWEOOXNJRHK-CZUORRHYSA-N 2 0 297.402 2.503 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422781073 382979604 /nfs/dbraw/zinc/97/96/04/382979604.db2.gz KFNKUVGGWBTLFM-SJORKVTESA-N 2 0 260.425 2.953 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422793131 382979670 /nfs/dbraw/zinc/97/96/70/382979670.db2.gz RRSTZGIDOHTFSC-FXUDXRNXSA-N 2 0 260.381 2.678 20 0 CFADRP CC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422807374 382980986 /nfs/dbraw/zinc/98/09/86/382980986.db2.gz MMRLOHGABZBUGX-IIDMSEBBSA-N 2 0 289.467 2.539 20 0 CFADRP CN(CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Cc1ccc(F)cc1 ZINC000422820517 382981934 /nfs/dbraw/zinc/98/19/34/382981934.db2.gz RAJIHOYZGWYPIB-IAGOWNOFSA-N 2 0 293.430 2.507 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC[C@@H]1C ZINC000422856534 382983319 /nfs/dbraw/zinc/98/33/19/382983319.db2.gz GGBVMAIXGWJXTJ-IKGGRYGDSA-N 2 0 281.488 2.761 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338302351 382983507 /nfs/dbraw/zinc/98/35/07/382983507.db2.gz DHWOQWWCXRZUSH-IAGOWNOFSA-N 2 0 298.471 2.583 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422855831 382983649 /nfs/dbraw/zinc/98/36/49/382983649.db2.gz FIKOVRLCEPUTMG-MAUKXSAKSA-N 2 0 289.467 2.757 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422859013 382983802 /nfs/dbraw/zinc/98/38/02/382983802.db2.gz JIPSKEPWSMSRDJ-MAUKXSAKSA-N 2 0 289.467 2.614 20 0 CFADRP COC1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422840621 382984150 /nfs/dbraw/zinc/98/41/50/382984150.db2.gz UEMNITQDHNOAAB-YCUKKYJWSA-N 2 0 274.408 2.926 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422882883 382985126 /nfs/dbraw/zinc/98/51/26/382985126.db2.gz BKIIRLXFHDWHPU-IMJJTQAJSA-N 2 0 274.408 2.802 20 0 CFADRP C1CCC([N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)C1 ZINC000422863522 382985241 /nfs/dbraw/zinc/98/52/41/382985241.db2.gz RTTBXTHVUYULAI-LEUOFYLZSA-N 2 0 291.483 2.514 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422892888 382987334 /nfs/dbraw/zinc/98/73/34/382987334.db2.gz ZPTJDXPFHFVSBS-RBSFLKMASA-N 2 0 293.480 2.813 20 0 CFADRP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422921395 382988409 /nfs/dbraw/zinc/98/84/09/382988409.db2.gz OBYBJTCGLVTPSA-BFYDXBDKSA-N 2 0 260.425 2.965 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024192 383017301 /nfs/dbraw/zinc/01/73/01/383017301.db2.gz LFPCUXQFXYEZQU-ZIAGYGMSSA-N 2 0 264.800 2.841 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000422918756 382988594 /nfs/dbraw/zinc/98/85/94/382988594.db2.gz IRBYMZMMLUCZAX-DMRZNYOFSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422922001 382988713 /nfs/dbraw/zinc/98/87/13/382988713.db2.gz ROYZFRPXBFPHAJ-JJXSEGSLSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422962260 382989837 /nfs/dbraw/zinc/98/98/37/382989837.db2.gz CJHHWRIOVLAJMC-GOEBONIOSA-N 2 0 278.440 2.506 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024190 383017394 /nfs/dbraw/zinc/01/73/94/383017394.db2.gz LFPCUXQFXYEZQU-KGLIPLIRSA-N 2 0 264.800 2.841 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422973006 382990828 /nfs/dbraw/zinc/99/08/28/382990828.db2.gz NMVJLFNDHLLMTI-XMTFNYHQSA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000338325587 382991239 /nfs/dbraw/zinc/99/12/39/382991239.db2.gz RIVKQEUTKLTDJA-INIZCTEOSA-N 2 0 276.424 2.702 20 0 CFADRP COC1(C[C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)CCC1 ZINC000446882733 382992324 /nfs/dbraw/zinc/99/23/24/382992324.db2.gz BMFNLOSHCMMPRJ-AWEZNQCLSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000579461626 383018793 /nfs/dbraw/zinc/01/87/93/383018793.db2.gz KVDAQCDKPBNUJJ-RDJZCZTQSA-N 2 0 276.424 2.744 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422982830 382994780 /nfs/dbraw/zinc/99/47/80/382994780.db2.gz RPDIBQMRFUUYGE-IRXDYDNUSA-N 2 0 258.409 2.509 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422982637 382994944 /nfs/dbraw/zinc/99/49/44/382994944.db2.gz XIKIFEYFDBGYRE-VQHPVUNQSA-N 2 0 282.472 2.684 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422981726 382995021 /nfs/dbraw/zinc/99/50/21/382995021.db2.gz PDRLPZIRWIJYFP-IPMKNSEASA-N 2 0 284.447 2.912 20 0 CFADRP CC[C@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422981731 382995730 /nfs/dbraw/zinc/99/57/30/382995730.db2.gz PEVKARCEFVJSBO-IRXDYDNUSA-N 2 0 258.409 2.522 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422985859 382996293 /nfs/dbraw/zinc/99/62/93/382996293.db2.gz AQMBPCRSZLBYJM-DOTOQJQBSA-N 2 0 276.424 2.735 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984948 382996971 /nfs/dbraw/zinc/99/69/71/382996971.db2.gz BRCQZWYOBYZEBI-ZDUSSCGKSA-N 2 0 264.388 2.865 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H](C)[C@@H]1OC ZINC000422987824 382997591 /nfs/dbraw/zinc/99/75/91/382997591.db2.gz JIKRPUNWQVMWLW-MRTXSQPYSA-N 2 0 256.434 2.542 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024191 383017797 /nfs/dbraw/zinc/01/77/97/383017797.db2.gz LFPCUXQFXYEZQU-UONOGXRCSA-N 2 0 264.800 2.841 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423025118 383017824 /nfs/dbraw/zinc/01/78/24/383017824.db2.gz KQQSBAMORIMKNE-YXMPFFBPSA-N 2 0 268.376 2.617 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000422990729 382999231 /nfs/dbraw/zinc/99/92/31/382999231.db2.gz ONZQLXSBHDNUJQ-FZKCQIBNSA-N 2 0 268.445 2.567 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000422992477 382999968 /nfs/dbraw/zinc/99/99/68/382999968.db2.gz CQIPKHVNMQMQFL-OWCLPIDISA-N 2 0 270.461 2.948 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422993726 383000388 /nfs/dbraw/zinc/00/03/88/383000388.db2.gz UBKGQSAUHKVKFB-KGLIPLIRSA-N 2 0 264.413 2.733 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422995495 383000968 /nfs/dbraw/zinc/00/09/68/383000968.db2.gz KFSDJCMWJRBNCV-BBWFWOEESA-N 2 0 281.488 2.604 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422996204 383001704 /nfs/dbraw/zinc/00/17/04/383001704.db2.gz LHKCBPYTXRHIJN-GVDBMIGSSA-N 2 0 273.424 2.525 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423001267 383004059 /nfs/dbraw/zinc/00/40/59/383004059.db2.gz HPCWXGIDJXQGQQ-LBPRGKRZSA-N 2 0 270.804 2.574 20 0 CFADRP CCOc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423001723 383004362 /nfs/dbraw/zinc/00/43/62/383004362.db2.gz XPBPCVWDXDPISS-XYPWUTKMSA-N 2 0 274.408 2.500 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423005611 383007357 /nfs/dbraw/zinc/00/73/57/383007357.db2.gz SMHDXKBOBGUDKI-YESZJQIVSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423008416 383010370 /nfs/dbraw/zinc/01/03/70/383010370.db2.gz ADUQAIOKFWWNAI-AVGNSLFASA-N 2 0 288.395 2.556 20 0 CFADRP CC(C)CSCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423009301 383010383 /nfs/dbraw/zinc/01/03/83/383010383.db2.gz COACLTONAPYWMJ-GDBMZVCRSA-N 2 0 280.481 2.924 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000245609565 383013094 /nfs/dbraw/zinc/01/30/94/383013094.db2.gz NUGSIRMHFPFHGG-MWQQHZPXSA-N 2 0 258.409 2.862 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423017669 383013579 /nfs/dbraw/zinc/01/35/79/383013579.db2.gz PGLUYQGJFFGZLZ-RHSMWYFYSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000245609567 383013611 /nfs/dbraw/zinc/01/36/11/383013611.db2.gz NUGSIRMHFPFHGG-XBVQOTNRSA-N 2 0 258.409 2.862 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1(C)C ZINC000423018059 383014354 /nfs/dbraw/zinc/01/43/54/383014354.db2.gz QASPXJFFERUYHS-CAAGUOMGSA-N 2 0 291.439 2.559 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423018676 383015333 /nfs/dbraw/zinc/01/53/33/383015333.db2.gz RSFNUEDHXMLQRV-XHDPSFHLSA-N 2 0 286.366 2.759 20 0 CFADRP COCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(C)o1 ZINC000423049492 383029672 /nfs/dbraw/zinc/02/96/72/383029672.db2.gz XUCHKXGMOLJLND-TZMCWYRMSA-N 2 0 268.401 2.773 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000423049003 383030605 /nfs/dbraw/zinc/03/06/05/383030605.db2.gz XBXBRPUBJKVSRJ-HTYVYXPBSA-N 2 0 280.456 2.843 20 0 CFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)[NH+](C)C ZINC000423051267 383031264 /nfs/dbraw/zinc/03/12/64/383031264.db2.gz MWNYGUJZWRGYAP-UXRNWYHQSA-N 2 0 287.451 2.550 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000423050070 383032060 /nfs/dbraw/zinc/03/20/60/383032060.db2.gz LFHJHXKKEOZOQG-INMHGKMJSA-N 2 0 277.456 2.785 20 0 CFADRP CCc1cccc(Cl)c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579592150 383032231 /nfs/dbraw/zinc/03/22/31/383032231.db2.gz FWRJIESSROXVPJ-KBPBESRZSA-N 2 0 278.827 2.944 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1c(C)oc2ccccc21 ZINC000423054292 383033054 /nfs/dbraw/zinc/03/30/54/383033054.db2.gz UJBAZIBKQFWNSR-CQSZACIVSA-N 2 0 290.407 2.627 20 0 CFADRP C1CC1[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423056900 383034142 /nfs/dbraw/zinc/03/41/42/383034142.db2.gz YZWOCWIZIYFDOQ-WKULXVSPSA-N 2 0 292.467 2.844 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000423063258 383037397 /nfs/dbraw/zinc/03/73/97/383037397.db2.gz OKMLROKCAQWCNY-LSDHHAIUSA-N 2 0 268.445 2.690 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000552246007 383078750 /nfs/dbraw/zinc/07/87/50/383078750.db2.gz FEUQZWCZATUECG-HYVNUMGLSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423075583 383041778 /nfs/dbraw/zinc/04/17/78/383041778.db2.gz OVRAIONPHLWWKD-GMTAPVOTSA-N 2 0 252.324 2.838 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093457 383041869 /nfs/dbraw/zinc/04/18/69/383041869.db2.gz HNRVBZZUMQCZCL-KBAYOESNSA-N 2 0 293.499 2.761 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423089394 383041982 /nfs/dbraw/zinc/04/19/82/383041982.db2.gz VETGRFUCKBUPEL-BZUAXINKSA-N 2 0 269.477 2.617 20 0 CFADRP C1C(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423103663 383042569 /nfs/dbraw/zinc/04/25/69/383042569.db2.gz XTGQXAQXKLPSJO-YXYCDRMUSA-N 2 0 291.483 2.514 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423116366 383043014 /nfs/dbraw/zinc/04/30/14/383043014.db2.gz POSBLTKLSDNMRK-RBZYPMLTSA-N 2 0 266.360 2.537 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000423111640 383043020 /nfs/dbraw/zinc/04/30/20/383043020.db2.gz QXCQLGFIZAFPFB-FZKCQIBNSA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423134132 383043830 /nfs/dbraw/zinc/04/38/30/383043830.db2.gz WRWLNLLLKJCIIS-HCWSGVFWSA-N 2 0 264.335 2.838 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])CCC2 ZINC000423133289 383044017 /nfs/dbraw/zinc/04/40/17/383044017.db2.gz QAZIJBBFBDVXDI-BVPBIZIASA-N 2 0 288.435 2.714 20 0 CFADRP C[C@H]1CN(CCCn2ccnc2)C[C@@H](c2ccsc2)O1 ZINC000245885203 383044396 /nfs/dbraw/zinc/04/43/96/383044396.db2.gz OPPMQBRDQJICMR-ZFWWWQNUSA-N 2 0 291.420 2.797 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423139564 383045102 /nfs/dbraw/zinc/04/51/02/383045102.db2.gz VMBSKNAACYDURL-TWMKSMIVSA-N 2 0 258.409 2.897 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423148669 383045309 /nfs/dbraw/zinc/04/53/09/383045309.db2.gz GJPUDUMKHKYIBS-FPCVCCKLSA-N 2 0 268.445 2.687 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1(C)C ZINC000579711462 383045782 /nfs/dbraw/zinc/04/57/82/383045782.db2.gz DQGBVVGEQDMILW-UXLLHSPISA-N 2 0 282.472 2.902 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423166146 383046271 /nfs/dbraw/zinc/04/62/71/383046271.db2.gz QOZRIZLTZBFMHV-RMRDIRSESA-N 2 0 298.430 2.878 20 0 CFADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423166369 383046315 /nfs/dbraw/zinc/04/63/15/383046315.db2.gz CLSBWRAZPFKVEB-CAOSSQGBSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000423167410 383046736 /nfs/dbraw/zinc/04/67/36/383046736.db2.gz FCHCKXDRIQBRBK-MIGQKNRLSA-N 2 0 250.430 2.790 20 0 CFADRP CC1CC[NH+](C[C@H](O)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338776163 383047221 /nfs/dbraw/zinc/04/72/21/383047221.db2.gz AGOCDPLREHUBAV-QGZVFWFLSA-N 2 0 294.483 2.638 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423181774 383047696 /nfs/dbraw/zinc/04/76/96/383047696.db2.gz POASIOPALAWYTR-GFCCVEGCSA-N 2 0 287.176 2.514 20 0 CFADRP COc1ccccc1[C@@H]([NH2+]CCC[NH3+])C1CCCC1 ZINC000423197498 383048836 /nfs/dbraw/zinc/04/88/36/383048836.db2.gz ZPSXMHPFAUXQBT-INIZCTEOSA-N 2 0 262.397 2.865 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245934461 383050056 /nfs/dbraw/zinc/05/00/56/383050056.db2.gz SXXUNWSZMUFAFN-QBPKDAKJSA-N 2 0 294.483 2.900 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000423242209 383052870 /nfs/dbraw/zinc/05/28/70/383052870.db2.gz DYXVUVMNGIZXDS-INMHGKMJSA-N 2 0 273.424 2.697 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCS2 ZINC000423250972 383053299 /nfs/dbraw/zinc/05/32/99/383053299.db2.gz RHOYCQMSXXNTDW-BXUZGUMPSA-N 2 0 280.412 2.952 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423285585 383056618 /nfs/dbraw/zinc/05/66/18/383056618.db2.gz ZPVBZNZFAGEMGK-MNOVXSKESA-N 2 0 285.229 2.955 20 0 CFADRP [NH3+]C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423285779 383056779 /nfs/dbraw/zinc/05/67/79/383056779.db2.gz YQZOTEHYPFERCV-AKHDSKFASA-N 2 0 299.462 2.509 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423351012 383059442 /nfs/dbraw/zinc/05/94/42/383059442.db2.gz YJEURIJOEAHHEJ-UXLLHSPISA-N 2 0 282.472 2.805 20 0 CFADRP c1cncc([C@H]2CCC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423353309 383061495 /nfs/dbraw/zinc/06/14/95/383061495.db2.gz LQCRPWHCVREGTI-RDJZCZTQSA-N 2 0 271.408 2.617 20 0 CFADRP COC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423354566 383061576 /nfs/dbraw/zinc/06/15/76/383061576.db2.gz NNRMXDGZAQLOIF-CQSZACIVSA-N 2 0 298.789 2.676 20 0 CFADRP C[C@@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCC[NH2+]1 ZINC000423392672 383079864 /nfs/dbraw/zinc/07/98/64/383079864.db2.gz LPQZINZYCVSJNM-FSPWUOQZSA-N 2 0 283.419 2.570 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)c1OC ZINC000423359698 383063812 /nfs/dbraw/zinc/06/38/12/383063812.db2.gz VGPCOLNWZKTVFE-ZDUSSCGKSA-N 2 0 290.407 2.583 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cscn1 ZINC000552002219 383063873 /nfs/dbraw/zinc/06/38/73/383063873.db2.gz JVLWGMCLRKATDS-HZSPNIEDSA-N 2 0 297.468 2.683 20 0 CFADRP COCCC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423360539 383064102 /nfs/dbraw/zinc/06/41/02/383064102.db2.gz WCUKJWXNCLJVQY-QGZVFWFLSA-N 2 0 292.398 2.803 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423369442 383067240 /nfs/dbraw/zinc/06/72/40/383067240.db2.gz CDRPOTCOPDNESC-SRABZTEZSA-N 2 0 288.435 2.963 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(F)c1 ZINC000552061842 383068499 /nfs/dbraw/zinc/06/84/99/383068499.db2.gz BYVCZQYUXHNUPY-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000423371935 383068604 /nfs/dbraw/zinc/06/86/04/383068604.db2.gz VMSMRNJKLAWDQZ-ZBFHGGJFSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423371257 383068874 /nfs/dbraw/zinc/06/88/74/383068874.db2.gz FHLXPOUEGJNTEC-FMKPAKJESA-N 2 0 261.413 2.523 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000423370245 383069111 /nfs/dbraw/zinc/06/91/11/383069111.db2.gz FJODULKMUVRLBH-IRXDYDNUSA-N 2 0 288.435 2.972 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423373524 383069702 /nfs/dbraw/zinc/06/97/02/383069702.db2.gz HCVJDJDEPVOIHY-MJVIPROJSA-N 2 0 278.371 2.552 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423376200 383070989 /nfs/dbraw/zinc/07/09/89/383070989.db2.gz KVWINCBRRTTXSP-KYXHQGGESA-N 2 0 262.372 2.789 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000579979044 383073817 /nfs/dbraw/zinc/07/38/17/383073817.db2.gz OFRCUNOXYZWGTE-FJIDUMEYSA-N 2 0 285.435 2.766 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423379986 383073835 /nfs/dbraw/zinc/07/38/35/383073835.db2.gz MLRRKUDUGSIGAM-UGUYLWEFSA-N 2 0 296.455 2.619 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423379372 383073950 /nfs/dbraw/zinc/07/39/50/383073950.db2.gz XKLMKPKUAZPKOB-ZNMIVQPWSA-N 2 0 282.815 2.887 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C12CCCCC2 ZINC000423385496 383076241 /nfs/dbraw/zinc/07/62/41/383076241.db2.gz QUVJMLYURSJWOW-LVQVYYBASA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000423384532 383076352 /nfs/dbraw/zinc/07/63/52/383076352.db2.gz QIYHDRBQYDQBOD-YCPHGPKFSA-N 2 0 284.407 2.663 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000246454516 383076814 /nfs/dbraw/zinc/07/68/14/383076814.db2.gz NVZLHGZTPNLKGI-HUUCEWRRSA-N 2 0 275.440 2.745 20 0 CFADRP COCC1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC[NH2+]CC1 ZINC000423395192 383080699 /nfs/dbraw/zinc/08/06/99/383080699.db2.gz ACBLRFCYYJADTL-MRXNPFEDSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423030086 383019400 /nfs/dbraw/zinc/01/94/00/383019400.db2.gz TUSDNROZKVVWBU-JSGCOSHPSA-N 2 0 281.831 2.636 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3C[NH3+])CCC2)cc1 ZINC000423029226 383019408 /nfs/dbraw/zinc/01/94/08/383019408.db2.gz HTGDHILYTLRYDA-YOEHRIQHSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCCS1 ZINC000423030174 383020112 /nfs/dbraw/zinc/02/01/12/383020112.db2.gz JKBXGIWOKNCGNB-NUEKZKHPSA-N 2 0 278.465 2.820 20 0 CFADRP COCC[NH2+]C1CC[NH+](CCC2CCCCC2)CC1 ZINC000579480009 383020430 /nfs/dbraw/zinc/02/04/30/383020430.db2.gz JPCDQXUCUZBPMS-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000423032222 383021345 /nfs/dbraw/zinc/02/13/45/383021345.db2.gz FBVOHAZWXFVNLS-WDEREUQCSA-N 2 0 255.431 2.662 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423031276 383021500 /nfs/dbraw/zinc/02/15/00/383021500.db2.gz WXUJCSUKDOZUQY-ZDUSSCGKSA-N 2 0 296.842 2.715 20 0 CFADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000338545704 383022009 /nfs/dbraw/zinc/02/20/09/383022009.db2.gz IVMZDLHZYTUQCJ-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423035062 383022718 /nfs/dbraw/zinc/02/27/18/383022718.db2.gz YLHSYPAJGVVPLL-JMSVASOKSA-N 2 0 268.376 2.619 20 0 CFADRP C[C@H]([NH2+]CCCNc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423034443 383022744 /nfs/dbraw/zinc/02/27/44/383022744.db2.gz QBNBWUVJGQAHRA-BBRMVZONSA-N 2 0 279.403 2.748 20 0 CFADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1nccs1 ZINC000423035346 383022777 /nfs/dbraw/zinc/02/27/77/383022777.db2.gz JFRNETAYTMBXJM-IPYPFGDCSA-N 2 0 289.448 2.795 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423038238 383025355 /nfs/dbraw/zinc/02/53/55/383025355.db2.gz OCUPYIJLYBTCQA-KGYLQXTDSA-N 2 0 267.442 2.662 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000423039309 383025398 /nfs/dbraw/zinc/02/53/98/383025398.db2.gz QGIQCVYFFOULNO-ZBFHGGJFSA-N 2 0 288.435 2.834 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1c(C)cccc1C ZINC000423042284 383026407 /nfs/dbraw/zinc/02/64/07/383026407.db2.gz YXQZFHJKTOYRQZ-LSDHHAIUSA-N 2 0 264.413 2.708 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423041517 383026484 /nfs/dbraw/zinc/02/64/84/383026484.db2.gz JGODSLMHKOFMMB-HZMBPMFUSA-N 2 0 286.341 2.624 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423042300 383026600 /nfs/dbraw/zinc/02/66/00/383026600.db2.gz YZHSFGMOFXUEIO-GVAFMPQTSA-N 2 0 280.387 2.761 20 0 CFADRP CC(C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245725818 383026815 /nfs/dbraw/zinc/02/68/15/383026815.db2.gz PMKTVCDTWMKLPC-OSYLJGHBSA-N 2 0 288.435 2.543 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000246902450 383119436 /nfs/dbraw/zinc/11/94/36/383119436.db2.gz FWADYYWYHXJUEF-RDJZCZTQSA-N 2 0 298.434 2.692 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423492511 383120663 /nfs/dbraw/zinc/12/06/63/383120663.db2.gz NHYQSNFVAOZGDU-QZTJIDSGSA-N 2 0 290.451 2.612 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423494977 383121636 /nfs/dbraw/zinc/12/16/36/383121636.db2.gz TUHQMJSRJRXNIP-IHRRRGAJSA-N 2 0 292.423 2.790 20 0 CFADRP COC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000423496861 383121659 /nfs/dbraw/zinc/12/16/59/383121659.db2.gz FOJQRPBRUVXSSF-JKSUJKDBSA-N 2 0 264.413 2.727 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423496370 383121838 /nfs/dbraw/zinc/12/18/38/383121838.db2.gz WQXFIWAXWQCQKN-FMKPAKJESA-N 2 0 274.408 2.926 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000423496027 383121859 /nfs/dbraw/zinc/12/18/59/383121859.db2.gz VVRJOXZPTGLOLR-PVAVHDDUSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246926988 383122253 /nfs/dbraw/zinc/12/22/53/383122253.db2.gz JHOFHNRNWGDQFW-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccsc1 ZINC000423500589 383122689 /nfs/dbraw/zinc/12/26/89/383122689.db2.gz CDZVAXNYQCKTMT-JEYLPNPQSA-N 2 0 293.480 2.615 20 0 CFADRP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538802 383126375 /nfs/dbraw/zinc/12/63/75/383126375.db2.gz HEGBDHHNOOCVRO-ZHCJQAHYSA-N 2 0 262.441 2.933 20 0 CFADRP FCCC[C@H]1CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546974 383127769 /nfs/dbraw/zinc/12/77/69/383127769.db2.gz ZUMIASUDGBRWRT-HUUCEWRRSA-N 2 0 254.393 2.804 20 0 CFADRP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000554376833 383132641 /nfs/dbraw/zinc/13/26/41/383132641.db2.gz GRDRPMOHRKYNBQ-JFIYKMOQSA-N 2 0 296.499 2.884 20 0 CFADRP C[N@@H+](Cc1cc2cccnc2o1)CC1CC[NH+](C)CC1 ZINC000449024251 383138625 /nfs/dbraw/zinc/13/86/25/383138625.db2.gz ZPGUUSCPBBLFMB-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423400178 383083296 /nfs/dbraw/zinc/08/32/96/383083296.db2.gz PZJXLOWCKJMRHK-BPUTZDHNSA-N 2 0 274.408 2.796 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000423400960 383083329 /nfs/dbraw/zinc/08/33/29/383083329.db2.gz QNZCZFZPDDRGDB-JKIFEVAISA-N 2 0 284.407 2.521 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000423399760 383083362 /nfs/dbraw/zinc/08/33/62/383083362.db2.gz UYRUDUUVIKJCDV-VNHYZAJKSA-N 2 0 278.371 2.899 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccsc1 ZINC000423404086 383084493 /nfs/dbraw/zinc/08/44/93/383084493.db2.gz IJOQKXHBVPEDJB-AWEZNQCLSA-N 2 0 282.453 2.805 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C2CC2)c1 ZINC000423403565 383084650 /nfs/dbraw/zinc/08/46/50/383084650.db2.gz YODZBSOXLLMBKM-QBIMZIAESA-N 2 0 288.435 2.746 20 0 CFADRP CCC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C(C)(C)C ZINC000423415535 383089175 /nfs/dbraw/zinc/08/91/75/383089175.db2.gz PEKKLUWGWNPSBQ-DZGCQCFKSA-N 2 0 256.434 2.559 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247106822 383143692 /nfs/dbraw/zinc/14/36/92/383143692.db2.gz QGNWAESGZFYEIF-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)[C@@H]1OC ZINC000423420217 383089692 /nfs/dbraw/zinc/08/96/92/383089692.db2.gz AFPVKPHJDDNNMN-LBWNCTQTSA-N 2 0 294.483 2.804 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000423417426 383089720 /nfs/dbraw/zinc/08/97/20/383089720.db2.gz FIRWBOHUSDOTRF-ZOBUZTSGSA-N 2 0 288.435 2.735 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)CCC[NH2+]1 ZINC000423418493 383089820 /nfs/dbraw/zinc/08/98/20/383089820.db2.gz UPKKEKXALPZGNO-HRCADAONSA-N 2 0 268.445 2.559 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)[C@@H]1OC ZINC000423420218 383090153 /nfs/dbraw/zinc/09/01/53/383090153.db2.gz AFPVKPHJDDNNMN-RDDKANTKSA-N 2 0 294.483 2.804 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)CCC[NH2+]1 ZINC000423417628 383090223 /nfs/dbraw/zinc/09/02/23/383090223.db2.gz HGMLXBLRWGHOLI-MAUKXSAKSA-N 2 0 290.451 2.711 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(O)c1 ZINC000423421821 383090548 /nfs/dbraw/zinc/09/05/48/383090548.db2.gz KNTNFHUBLGIEKP-MGPQQGTHSA-N 2 0 262.397 2.808 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000423426464 383091801 /nfs/dbraw/zinc/09/18/01/383091801.db2.gz PIAPXLIFHDWOSU-VIQHNZTISA-N 2 0 292.467 2.689 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C1 ZINC000423439481 383096291 /nfs/dbraw/zinc/09/62/91/383096291.db2.gz ADLQDIIISMYBSR-TUVASFSCSA-N 2 0 261.413 2.742 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCC1 ZINC000423446345 383098828 /nfs/dbraw/zinc/09/88/28/383098828.db2.gz YOWOAMVGFXOIIU-HRCADAONSA-N 2 0 250.430 2.933 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423453132 383100929 /nfs/dbraw/zinc/10/09/29/383100929.db2.gz ADDKJZTYPDPBAD-BFHYXJOUSA-N 2 0 292.423 2.872 20 0 CFADRP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423454189 383101850 /nfs/dbraw/zinc/10/18/50/383101850.db2.gz LGTXAYNVMHINJT-CMZRPVNOSA-N 2 0 290.838 2.859 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000423455410 383102250 /nfs/dbraw/zinc/10/22/50/383102250.db2.gz FBLNDFMKISGTTN-RWMBFGLXSA-N 2 0 250.361 2.994 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423456851 383102724 /nfs/dbraw/zinc/10/27/24/383102724.db2.gz DUZCJNDWTXJWOF-FMKPAKJESA-N 2 0 264.413 2.553 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423457669 383102833 /nfs/dbraw/zinc/10/28/33/383102833.db2.gz JADBNCJAECNMQE-YDHLFZDLSA-N 2 0 290.407 2.626 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423456753 383103249 /nfs/dbraw/zinc/10/32/49/383103249.db2.gz OFVJMPXNPCPWGR-STQMWFEESA-N 2 0 264.417 2.776 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423463360 383105592 /nfs/dbraw/zinc/10/55/92/383105592.db2.gz FTLACEFMLCQNFY-LJISPDSOSA-N 2 0 268.445 2.686 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423464874 383106402 /nfs/dbraw/zinc/10/64/02/383106402.db2.gz RHNORNIJLFSNCU-MJBXVCDLSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423468307 383107593 /nfs/dbraw/zinc/10/75/93/383107593.db2.gz YECBEBKHEZYITA-YCPHGPKFSA-N 2 0 261.413 2.825 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000423470693 383108407 /nfs/dbraw/zinc/10/84/07/383108407.db2.gz ZFWRNYVBEVHSEE-ZFWWWQNUSA-N 2 0 262.397 2.926 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423473978 383110719 /nfs/dbraw/zinc/11/07/19/383110719.db2.gz QZZYTRAAFMBKBK-HUUCEWRRSA-N 2 0 252.377 2.720 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423473974 383110842 /nfs/dbraw/zinc/11/08/42/383110842.db2.gz QZZYTRAAFMBKBK-GJZGRUSLSA-N 2 0 252.377 2.720 20 0 CFADRP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000584557161 383112516 /nfs/dbraw/zinc/11/25/16/383112516.db2.gz MBJZYSUYPXZSSF-KRWDZBQOSA-N 3 0 275.440 2.643 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423482113 383113629 /nfs/dbraw/zinc/11/36/29/383113629.db2.gz OUEVXWSJGSUYCS-ZFWWWQNUSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423485306 383115869 /nfs/dbraw/zinc/11/58/69/383115869.db2.gz ZBGSZZGVKDMYGC-ZIAGYGMSSA-N 2 0 283.504 2.991 20 0 CFADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424081288 383176473 /nfs/dbraw/zinc/17/64/73/383176473.db2.gz VCBUKOABBUMITB-JKSUJKDBSA-N 2 0 297.487 2.698 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000449104897 383177233 /nfs/dbraw/zinc/17/72/33/383177233.db2.gz GUCMENPZPBGSKP-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449129043 383179907 /nfs/dbraw/zinc/17/99/07/383179907.db2.gz BCCDECOVVRVWNB-JKSUJKDBSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449195922 383184141 /nfs/dbraw/zinc/18/41/41/383184141.db2.gz WZKTUENMRDZXSG-PMPSAXMXSA-N 2 0 282.472 2.636 20 0 CFADRP c1ccc2c(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccnc2c1 ZINC000517741850 383192280 /nfs/dbraw/zinc/19/22/80/383192280.db2.gz GOFSFHFHKGORIV-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC2(CCC2)C1)C[NH+]1CCCC1 ZINC000449285951 383199942 /nfs/dbraw/zinc/19/99/42/383199942.db2.gz RSUIWZXONJQMDG-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000247971646 383203804 /nfs/dbraw/zinc/20/38/04/383203804.db2.gz HIRSDHJIBOWGSQ-RYRKJORJSA-N 2 0 289.467 2.579 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000424339028 383204150 /nfs/dbraw/zinc/20/41/50/383204150.db2.gz VEYCHQFICAENFO-ZIAGYGMSSA-N 2 0 295.814 2.528 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449302267 383208548 /nfs/dbraw/zinc/20/85/48/383208548.db2.gz UUCMNMILZKEHGY-IUDNXUCKSA-N 2 0 262.397 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC000248052104 383209395 /nfs/dbraw/zinc/20/93/95/383209395.db2.gz WPCOGHOJMIJEFJ-JSGCOSHPSA-N 2 0 252.427 2.611 20 0 CFADRP C[C@H](CC1CC1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247155638 383148621 /nfs/dbraw/zinc/14/86/21/383148621.db2.gz XITJEGIDMLGSPN-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](CC1CC1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247155648 383148800 /nfs/dbraw/zinc/14/88/00/383148800.db2.gz XITJEGIDMLGSPN-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247170047 383150067 /nfs/dbraw/zinc/15/00/67/383150067.db2.gz SMIDXJWHVYGCSY-XYVMCAHJSA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H](C)C1 ZINC000247203119 383152185 /nfs/dbraw/zinc/15/21/85/383152185.db2.gz VFJQSVBFYRWSBM-YJBOKZPZSA-N 2 0 293.499 2.713 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OCC ZINC000623599792 383152328 /nfs/dbraw/zinc/15/23/28/383152328.db2.gz RCJCCGMHGOCLEA-UONOGXRCSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4cccnc4o3)CC[C@H]21 ZINC000449052250 383153756 /nfs/dbraw/zinc/15/37/56/383153756.db2.gz YUNVAVVNFMYSBT-GDBMZVCRSA-N 2 0 285.391 2.744 20 0 CFADRP C[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449059316 383155364 /nfs/dbraw/zinc/15/53/64/383155364.db2.gz BGANDHRZUWIYOW-CYBMUJFWSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000247248036 383156041 /nfs/dbraw/zinc/15/60/41/383156041.db2.gz XBGBHZHZBPTAJD-DZGCQCFKSA-N 2 0 264.438 2.973 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000247239705 383156232 /nfs/dbraw/zinc/15/62/32/383156232.db2.gz WSOFODPXYLOVGA-XMTFNYHQSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1cnc(CCN(C)CC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000339130485 383160299 /nfs/dbraw/zinc/16/02/99/383160299.db2.gz CHUBMPAGILHBPV-AWEZNQCLSA-N 2 0 281.469 2.800 20 0 CFADRP COCC1CCC([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000449070970 383161128 /nfs/dbraw/zinc/16/11/28/383161128.db2.gz GKPXQKCELNUVEL-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083915 383168096 /nfs/dbraw/zinc/16/80/96/383168096.db2.gz VXTJOVCFLSJFFE-XGUBFFRZSA-N 2 0 270.486 2.696 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000516938046 383168419 /nfs/dbraw/zinc/16/84/19/383168419.db2.gz RVMARFYPYWURHG-RBSFLKMASA-N 2 0 293.842 2.778 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248457845 383246811 /nfs/dbraw/zinc/24/68/11/383246811.db2.gz UGVAVEXDNLRNHP-HDMKZQKVSA-N 2 0 290.451 2.777 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000520214419 383251349 /nfs/dbraw/zinc/25/13/49/383251349.db2.gz FIWWYSNVTSMQDN-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000520568649 383263240 /nfs/dbraw/zinc/26/32/40/383263240.db2.gz BHYJKIRPGSDZPV-RDTXWAMCSA-N 2 0 295.386 2.589 20 0 CFADRP CC(=O)c1cccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000520604034 383265792 /nfs/dbraw/zinc/26/57/92/383265792.db2.gz JHKWFJLTCIMTNS-MRXNPFEDSA-N 2 0 283.375 2.612 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000567440176 383274666 /nfs/dbraw/zinc/27/46/66/383274666.db2.gz UYBYIFRATWXNRL-WCVJEAGWSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248160548 383215592 /nfs/dbraw/zinc/21/55/92/383215592.db2.gz RZXYEUVWPHGBNF-AEFFLSMTSA-N 2 0 290.451 2.883 20 0 CFADRP CC(C)(C)n1cc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339497448 383217107 /nfs/dbraw/zinc/21/71/07/383217107.db2.gz IFXYJYWQTSOMPY-UHFFFAOYSA-N 2 0 292.471 2.994 20 0 CFADRP CN(C)c1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339499807 383218769 /nfs/dbraw/zinc/21/87/69/383218769.db2.gz UPWFXRPCUOCCNY-UHFFFAOYSA-N 2 0 296.484 2.565 20 0 CFADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CCC1 ZINC000449336860 383226706 /nfs/dbraw/zinc/22/67/06/383226706.db2.gz ONOJXECUEIWKJZ-CQSZACIVSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000567029035 383234882 /nfs/dbraw/zinc/23/48/82/383234882.db2.gz ONCQTCNETIQSNQ-CCKFTAQKSA-N 2 0 297.446 2.960 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000519775225 383235049 /nfs/dbraw/zinc/23/50/49/383235049.db2.gz GANATAMVOKDBLM-HYVNUMGLSA-N 2 0 294.389 2.970 20 0 CFADRP COCCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248396383 383235306 /nfs/dbraw/zinc/23/53/06/383235306.db2.gz KFYDKWHUHFZRCA-VQFNDLOPSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC(F)(F)C1 ZINC000423126873 532975250 /nfs/dbraw/zinc/97/52/50/532975250.db2.gz JFJBDRKGIILQSL-BXUZGUMPSA-N 2 0 268.351 2.580 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248427851 383240977 /nfs/dbraw/zinc/24/09/77/383240977.db2.gz QBDYQGVQBHZWNY-BZSNNMDCSA-N 2 0 294.483 2.805 20 0 CFADRP CC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248434986 383242493 /nfs/dbraw/zinc/24/24/93/383242493.db2.gz FFKRNJPPDPMYRK-YOEHRIQHSA-N 2 0 276.424 2.531 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342098511 296344129 /nfs/dbraw/zinc/34/41/29/296344129.db2.gz IJMRQGMGZANINO-HMDCTGQHSA-N 2 0 280.456 2.641 20 0 CFADRP Cc1ccsc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732556 383333693 /nfs/dbraw/zinc/33/36/93/383333693.db2.gz IYOKYYJEHPUGMG-LBPRGKRZSA-N 2 0 252.427 2.924 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000634733348 383335626 /nfs/dbraw/zinc/33/56/26/383335626.db2.gz DBOLFKSCDBHBEF-IAGOWNOFSA-N 2 0 272.436 2.912 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734123 383337122 /nfs/dbraw/zinc/33/71/22/383337122.db2.gz XLIOEKSORIVNTL-UONOGXRCSA-N 2 0 256.434 2.559 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCC2 ZINC000248745759 383287123 /nfs/dbraw/zinc/28/71/23/383287123.db2.gz AYZVLUGPCHTFFJ-AQBKWJQSSA-N 2 0 278.440 2.549 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000449436090 383292687 /nfs/dbraw/zinc/29/26/87/383292687.db2.gz CWYKTYISVINREW-DJIMGWMZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000449439240 383295257 /nfs/dbraw/zinc/29/52/57/383295257.db2.gz ULYUTMUFUUXCQZ-USXIJHARSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000567638857 383296618 /nfs/dbraw/zinc/29/66/18/383296618.db2.gz NVTPJNUFEGNHHL-CYBMUJFWSA-N 2 0 276.428 2.648 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000567674205 383300514 /nfs/dbraw/zinc/30/05/14/383300514.db2.gz COQCYOBQRZHRQV-XLNGHYISSA-N 2 0 273.424 2.967 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000248903175 383306744 /nfs/dbraw/zinc/30/67/44/383306744.db2.gz UPUTZNRYVLIPHM-FVQBIDKESA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000567752755 383311867 /nfs/dbraw/zinc/31/18/67/383311867.db2.gz WWCZIZOXDNQFOO-IXDOHACOSA-N 2 0 290.451 2.648 20 0 CFADRP C1=CO[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248991731 383314760 /nfs/dbraw/zinc/31/47/60/383314760.db2.gz NQUQDGMSPRXMGG-HYVNUMGLSA-N 2 0 276.424 2.628 20 0 CFADRP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000634685360 383315908 /nfs/dbraw/zinc/31/59/08/383315908.db2.gz MMBCYAJROCISHU-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@@H]1[NH3+] ZINC000634688621 383321487 /nfs/dbraw/zinc/32/14/87/383321487.db2.gz YKIDVCBAGLEXGE-CJNGLKHVSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249048938 383321831 /nfs/dbraw/zinc/32/18/31/383321831.db2.gz WZPYHDHMYIJPND-CSNJMZFVSA-N 3 0 293.499 2.713 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000567871200 383325402 /nfs/dbraw/zinc/32/54/02/383325402.db2.gz YWIDGEVMJMZASD-WDEREUQCSA-N 2 0 270.804 2.954 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000524981152 383392209 /nfs/dbraw/zinc/39/22/09/383392209.db2.gz WKCKWNDFJCQYTC-KRWDZBQOSA-N 2 0 290.451 2.956 20 0 CFADRP C[C@@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000568380697 383396287 /nfs/dbraw/zinc/39/62/87/383396287.db2.gz RLHFLSXMZGXORR-WQVCFCJDSA-N 2 0 295.858 2.673 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340276252 383399438 /nfs/dbraw/zinc/39/94/38/383399438.db2.gz FOIFRFOBSUKBGM-QWHCGFSZSA-N 2 0 260.372 2.695 20 0 CFADRP C[C@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251902059 383399721 /nfs/dbraw/zinc/39/97/21/383399721.db2.gz WMDGDMMKLWJUFE-KBXCAEBGSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252177295 383405794 /nfs/dbraw/zinc/40/57/94/383405794.db2.gz PGGRGEZIRGBTFW-XMTFNYHQSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2(C)CCC2)CC1 ZINC000340288589 383406315 /nfs/dbraw/zinc/40/63/15/383406315.db2.gz OONYYOUUBJWTSL-CALCHBBNSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000340288340 383406546 /nfs/dbraw/zinc/40/65/46/383406546.db2.gz INNASWGTRVIUOH-ROUUACIJSA-N 2 0 293.499 2.667 20 0 CFADRP FC1(F)CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000340288372 383406928 /nfs/dbraw/zinc/40/69/28/383406928.db2.gz IYGTYGYIYFHTDW-KGLIPLIRSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000568149037 383361894 /nfs/dbraw/zinc/36/18/94/383361894.db2.gz XNCVGNILSQJQIO-RBUKOAKNSA-N 2 0 284.447 2.818 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCO3)C2)CC1 ZINC000250289753 383374771 /nfs/dbraw/zinc/37/47/71/383374771.db2.gz PUTFRVGKVNYXRC-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000470016614 383375118 /nfs/dbraw/zinc/37/51/18/383375118.db2.gz VKBCNMNKYAOSNE-NVXWUHKLSA-N 2 0 260.425 2.797 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425344900 383375264 /nfs/dbraw/zinc/37/52/64/383375264.db2.gz UNPRGHACJLTMDX-INIZCTEOSA-N 2 0 298.434 2.823 20 0 CFADRP c1ccc2c(c1)CCO[C@@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250540215 383377523 /nfs/dbraw/zinc/37/75/23/383377523.db2.gz VDJWAAGSQFFHKO-XYJFISCASA-N 2 0 286.419 2.517 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250585859 383377546 /nfs/dbraw/zinc/37/75/46/383377546.db2.gz XUEYCLFIVDFSFW-BRWVUGGUSA-N 2 0 282.472 2.950 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000250632274 383378725 /nfs/dbraw/zinc/37/87/25/383378725.db2.gz MIQOKJQLQDSQFV-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000425511801 383382623 /nfs/dbraw/zinc/38/26/23/383382623.db2.gz DXIHTMTWLNKPGX-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC2(F)CC2)CC1 ZINC000525977398 383414952 /nfs/dbraw/zinc/41/49/52/383414952.db2.gz SFJQXUSAXXUBKC-UHFFFAOYSA-N 2 0 256.409 2.932 20 0 CFADRP OCC[NH+]1CCC(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000340232533 383386593 /nfs/dbraw/zinc/38/65/93/383386593.db2.gz GADMDNUMRDERBI-QGZVFWFLSA-N 2 0 294.483 2.783 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487558467 383480813 /nfs/dbraw/zinc/48/08/13/383480813.db2.gz YNGGCVNGUTYBQO-KKUMJFAQSA-N 2 0 282.497 2.982 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000340467608 383430416 /nfs/dbraw/zinc/43/04/16/383430416.db2.gz VTXQNWHXGOUUTG-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](COC)CC(C)C)CC1 ZINC000481951788 383430547 /nfs/dbraw/zinc/43/05/47/383430547.db2.gz HLJHICBHYUJITJ-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000568740797 383430970 /nfs/dbraw/zinc/43/09/70/383430970.db2.gz QKFXBIFHEYZJSQ-LYHPXFHOSA-N 2 0 280.456 2.843 20 0 CFADRP COC[C@H]([NH2+]CCCCC[NH+]1CCCC1)C(C)C ZINC000340476193 383435963 /nfs/dbraw/zinc/43/59/63/383435963.db2.gz FHVIHKDZBYMOEN-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1F ZINC000252894809 383439099 /nfs/dbraw/zinc/43/90/99/383439099.db2.gz WSOPBRWKRXFMOP-IUODEOHRSA-N 2 0 250.361 2.564 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC000483294926 383445734 /nfs/dbraw/zinc/44/57/34/383445734.db2.gz XECUQCDBWUMMKS-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253197306 383447882 /nfs/dbraw/zinc/44/78/82/383447882.db2.gz URJISRFSOSBQBU-KCQAQPDRSA-N 2 0 262.397 2.673 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000428311375 383449312 /nfs/dbraw/zinc/44/93/12/383449312.db2.gz QRMBGKRKTPAJKN-UHFFFAOYSA-N 2 0 297.402 2.720 20 0 CFADRP CC(C)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634998635 383453105 /nfs/dbraw/zinc/45/31/05/383453105.db2.gz IVGCCBCJLAZQTD-GDBMZVCRSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340520202 383454375 /nfs/dbraw/zinc/45/43/75/383454375.db2.gz PYLAKOOUPREYBA-YYIAUSFCSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(Cc3nccs3)CC2)CC[NH2+]1 ZINC000634999218 383455260 /nfs/dbraw/zinc/45/52/60/383455260.db2.gz RHRVNSSRXYXXMS-ZFWWWQNUSA-N 2 0 293.480 2.786 20 0 CFADRP CCC[C@H](C[NH+]1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000635001263 383456866 /nfs/dbraw/zinc/45/68/66/383456866.db2.gz MJEGVSGNRIORFG-QGZVFWFLSA-N 2 0 290.451 2.617 20 0 CFADRP CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000635000361 383456946 /nfs/dbraw/zinc/45/69/46/383456946.db2.gz MUXVZYBJVOOUOZ-DZGCQCFKSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002527 383458618 /nfs/dbraw/zinc/45/86/18/383458618.db2.gz UATCNRYKGFNGGP-IJLUTSLNSA-N 2 0 289.379 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000635003708 383459265 /nfs/dbraw/zinc/45/92/65/383459265.db2.gz AZZYQMFWAXBRRC-YLFCFFPRSA-N 3 0 293.499 2.665 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000635003866 383459353 /nfs/dbraw/zinc/45/93/53/383459353.db2.gz FSWDPCAFTKCJHD-ZQDZILKHSA-N 2 0 268.445 2.686 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000635003444 383460070 /nfs/dbraw/zinc/46/00/70/383460070.db2.gz DCWIXSAZWGSNLS-DKIMLUQUSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cn1 ZINC000635004071 383460707 /nfs/dbraw/zinc/46/07/07/383460707.db2.gz GRYSZOKFUBMZBY-NQBHXWOUSA-N 2 0 267.804 2.903 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005008 383460813 /nfs/dbraw/zinc/46/08/13/383460813.db2.gz LHMIAMUYAJVGHL-OTRWWLKZSA-N 2 0 276.424 2.870 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635005322 383461676 /nfs/dbraw/zinc/46/16/76/383461676.db2.gz HLTQATHWHYLKQF-UNEWFSDZSA-N 2 0 273.424 2.835 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000635005931 383461765 /nfs/dbraw/zinc/46/17/65/383461765.db2.gz QLUGNPYCIQSPNY-ZOFXXKQRSA-N 2 0 280.456 2.689 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635005725 383461972 /nfs/dbraw/zinc/46/19/72/383461972.db2.gz JSHPBZXAXZPXSR-IJEWVQPXSA-N 2 0 273.424 2.564 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006792 383463343 /nfs/dbraw/zinc/46/33/43/383463343.db2.gz NSJBDCKFYPFTKP-MGPQQGTHSA-N 2 0 250.386 2.708 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000635006550 383463382 /nfs/dbraw/zinc/46/33/82/383463382.db2.gz SAYBXOUJALWBTF-JQFCIGGWSA-N 2 0 288.435 2.660 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000635008166 383464187 /nfs/dbraw/zinc/46/41/87/383464187.db2.gz QWLIWPMKVDFGAE-BZSNNMDCSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1 ZINC000635007442 383464250 /nfs/dbraw/zinc/46/42/50/383464250.db2.gz QBTPDMDMHFRODI-HUBLWGQQSA-N 2 0 250.361 2.994 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008816 383464318 /nfs/dbraw/zinc/46/43/18/383464318.db2.gz VQSJHAASAHTGAB-DZKIICNBSA-N 2 0 276.424 2.733 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H]2CCCO[C@H]21 ZINC000635009455 383466004 /nfs/dbraw/zinc/46/60/04/383466004.db2.gz HBNFODQTRKFOKQ-BYNSBNAKSA-N 2 0 280.456 2.558 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010510 383466670 /nfs/dbraw/zinc/46/66/70/383466670.db2.gz MUSBDZMJBMVLCB-RDTXWAMCSA-N 2 0 288.435 2.627 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635010620 383467165 /nfs/dbraw/zinc/46/71/65/383467165.db2.gz ASNNGIVGAUXLAE-SWLSCSKDSA-N 2 0 257.381 2.775 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635012378 383467895 /nfs/dbraw/zinc/46/78/95/383467895.db2.gz LYPTXIIVLOYCAH-ARFHVFGLSA-N 2 0 280.456 2.833 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012054 383468674 /nfs/dbraw/zinc/46/86/74/383468674.db2.gz IVORZJKDDCMADS-SWLSCSKDSA-N 2 0 257.381 2.646 20 0 CFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2)cc1 ZINC000635013132 383469847 /nfs/dbraw/zinc/46/98/47/383469847.db2.gz QSVASXCVDSQSME-WMZOPIPTSA-N 2 0 289.467 2.676 20 0 CFADRP Fc1ccc2c(c1F)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000569129005 383471603 /nfs/dbraw/zinc/47/16/03/383471603.db2.gz GMDPWVDFOXJBDV-LBPRGKRZSA-N 2 0 280.362 2.713 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000635021922 383473264 /nfs/dbraw/zinc/47/32/64/383473264.db2.gz PWJVPOIVVCJPOJ-XHSDSOJGSA-N 2 0 285.435 2.802 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1C ZINC000635024440 383474619 /nfs/dbraw/zinc/47/46/19/383474619.db2.gz XZYINJVOHNJXER-IINYFYTJSA-N 2 0 252.427 2.843 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CCC1 ZINC000340580460 383477545 /nfs/dbraw/zinc/47/75/45/383477545.db2.gz SGGKZJUQIBILEZ-CQSZACIVSA-N 2 0 278.421 2.820 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H](C(C)C)N1CCCCCC1 ZINC000480536018 383417789 /nfs/dbraw/zinc/41/77/89/383417789.db2.gz MKVXATKBCZGYHG-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000480532463 383418007 /nfs/dbraw/zinc/41/80/07/383418007.db2.gz YBJQIXZKQGFGQZ-KURKYZTESA-N 3 0 295.515 2.817 20 0 CFADRP Cc1nsc(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000569890891 383547399 /nfs/dbraw/zinc/54/73/99/383547399.db2.gz CFVQCGNHSYLBKN-UHFFFAOYSA-N 2 0 267.442 2.534 20 0 CFADRP [NH3+][C@@H]1CN(Cc2ccccc2F)C[C@H]1c1ccccc1 ZINC000261736695 383549287 /nfs/dbraw/zinc/54/92/87/383549287.db2.gz MJJPKTUYXBNSBQ-DOTOQJQBSA-N 2 0 270.351 2.752 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000569301604 383485056 /nfs/dbraw/zinc/48/50/56/383485056.db2.gz YGYWJPKZZSCKCC-AWEZNQCLSA-N 2 0 278.444 2.847 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000428541662 383488897 /nfs/dbraw/zinc/48/88/97/383488897.db2.gz WBWSCUMGQMMSFL-MRXNPFEDSA-N 2 0 282.391 2.998 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc2n1 ZINC000261726321 383549719 /nfs/dbraw/zinc/54/97/19/383549719.db2.gz QQFWRYUAGCXCOR-SFHVURJKSA-N 2 0 281.403 2.729 20 0 CFADRP CC[NH+](CC)CCSCC[C@H]1CCCC[N@@H+]1C ZINC000340696470 383491114 /nfs/dbraw/zinc/49/11/14/383491114.db2.gz QTELGZRKBKDJPJ-CQSZACIVSA-N 2 0 258.475 2.936 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000569378507 383495701 /nfs/dbraw/zinc/49/57/01/383495701.db2.gz TWJSOFZVKWWDRD-QZWWFDLISA-N 2 0 274.408 2.766 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCN1CCOC ZINC000569438145 383499327 /nfs/dbraw/zinc/49/93/27/383499327.db2.gz NGWROJRUXAXTCE-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429579937 383550279 /nfs/dbraw/zinc/55/02/79/383550279.db2.gz NOEZOQHHVOVVSZ-IUODEOHRSA-N 2 0 275.396 2.519 20 0 CFADRP CSC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000429275723 383507487 /nfs/dbraw/zinc/50/74/87/383507487.db2.gz LGZHQQHNTDGJHG-OAHLLOKOSA-N 2 0 270.486 2.937 20 0 CFADRP CSC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000429298470 383515933 /nfs/dbraw/zinc/51/59/33/383515933.db2.gz XIRXWIIHGSWXSB-HUUCEWRRSA-N 2 0 270.486 2.936 20 0 CFADRP CCc1cnc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000261581864 383520123 /nfs/dbraw/zinc/52/01/23/383520123.db2.gz QUZQMVIUULATIX-HAQNSBGRSA-N 2 0 267.442 2.560 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000569623920 383520208 /nfs/dbraw/zinc/52/02/08/383520208.db2.gz SCBWWQZTMKQWLU-LSDHHAIUSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000261590008 383522703 /nfs/dbraw/zinc/52/27/03/383522703.db2.gz UHNLDXXIISSPET-OUAUKWLOSA-N 2 0 285.229 2.705 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261589458 383522933 /nfs/dbraw/zinc/52/29/33/383522933.db2.gz KTTSAFSXAWGIFY-INIZCTEOSA-N 2 0 262.397 2.645 20 0 CFADRP CC1CC[NH+](CCN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000429377281 383526508 /nfs/dbraw/zinc/52/65/08/383526508.db2.gz CWDNHPWLCZPSHH-KRWDZBQOSA-N 2 0 293.499 2.525 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1CC(C)(C)C1 ZINC000528423566 383530068 /nfs/dbraw/zinc/53/00/68/383530068.db2.gz VTOFFZLYUNUKDI-PMPSAXMXSA-N 2 0 280.456 2.606 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261621471 383531133 /nfs/dbraw/zinc/53/11/33/383531133.db2.gz ABFGFKCSJCHYNR-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488419816 383533482 /nfs/dbraw/zinc/53/34/82/383533482.db2.gz KNNQXSNHXBQHHR-XGUBFFRZSA-N 2 0 252.446 2.989 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261636995 383534381 /nfs/dbraw/zinc/53/43/81/383534381.db2.gz FXFHAOYSKNGBNH-QGZVFWFLSA-N 2 0 284.407 2.556 20 0 CFADRP Fc1cccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000261654290 383538706 /nfs/dbraw/zinc/53/87/06/383538706.db2.gz BGVRFAQIPMRJPP-UKRRQHHQSA-N 2 0 262.372 2.615 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000450896057 383540653 /nfs/dbraw/zinc/54/06/53/383540653.db2.gz MEOHZMFDDURHNS-CQSZACIVSA-N 2 0 277.412 2.647 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+](CC)CC ZINC000429553057 383543908 /nfs/dbraw/zinc/54/39/08/383543908.db2.gz MJJBZDPPPNYKNY-WFASDCNBSA-N 2 0 277.412 2.765 20 0 CFADRP C[C@@]1(CN(Cc2ccc(F)cc2F)C2CC2)CC[NH2+]C1 ZINC000261915324 383579140 /nfs/dbraw/zinc/57/91/40/383579140.db2.gz ZENIFHAZJYYYCC-MRXNPFEDSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000261925598 383580280 /nfs/dbraw/zinc/58/02/80/383580280.db2.gz KZCOGMRFBUZRQW-NXEZZACHSA-N 2 0 258.818 2.961 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261922392 383580494 /nfs/dbraw/zinc/58/04/94/383580494.db2.gz BVDZFNVHIFRLBN-NVXWUHKLSA-N 2 0 276.399 2.690 20 0 CFADRP Cc1oc(-c2ccsc2)nc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261921421 383580786 /nfs/dbraw/zinc/58/07/86/383580786.db2.gz YSUZEOLYIVCHGK-OAHLLOKOSA-N 2 0 291.420 2.882 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261964654 383587139 /nfs/dbraw/zinc/58/71/39/383587139.db2.gz AWFGJCHJBKQDPK-BBWFWOEESA-N 2 0 288.435 2.741 20 0 CFADRP CCCc1csc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000261968476 383588758 /nfs/dbraw/zinc/58/87/58/383588758.db2.gz QCLGEAKXZQZQRZ-GFCCVEGCSA-N 2 0 267.442 2.656 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2c2cccs2)CC[NH2+]C1 ZINC000261976459 383589299 /nfs/dbraw/zinc/58/92/99/383589299.db2.gz ITWSXAROBYDDDO-OCCSQVGLSA-N 2 0 250.411 2.885 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000262009284 383593962 /nfs/dbraw/zinc/59/39/62/383593962.db2.gz UVSMNVZQIUNUNN-GOEBONIOSA-N 2 0 278.465 2.979 20 0 CFADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000262016298 383595089 /nfs/dbraw/zinc/59/50/89/383595089.db2.gz VSNUKBCVMAGBTO-AWEZNQCLSA-N 2 0 286.423 2.546 20 0 CFADRP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451355733 383595841 /nfs/dbraw/zinc/59/58/41/383595841.db2.gz WCTFZXKYVXHBNY-FGTMMUONSA-N 2 0 294.483 2.878 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1C ZINC000262023517 383596123 /nfs/dbraw/zinc/59/61/23/383596123.db2.gz WLMHANWNPUULRZ-CQSZACIVSA-N 2 0 262.397 2.564 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262038247 383598828 /nfs/dbraw/zinc/59/88/28/383598828.db2.gz OWFAPFXCXCDUTL-KRWDZBQOSA-N 2 0 258.409 2.661 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430760360 383598985 /nfs/dbraw/zinc/59/89/85/383598985.db2.gz IRQMRSTWNDAFPI-NDBYEHHHSA-N 2 0 260.372 2.740 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(-c2cnn(C)c2)c1 ZINC000261762657 383555494 /nfs/dbraw/zinc/55/54/94/383555494.db2.gz DBTLTZALRUCBSE-GJZGRUSLSA-N 2 0 298.434 2.565 20 0 CFADRP CC1(C)Cc2cccc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2O1 ZINC000261787334 383560116 /nfs/dbraw/zinc/56/01/16/383560116.db2.gz XNMKZDGYRJKHKH-ZBFHGGJFSA-N 2 0 286.419 2.584 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)[C@@H]2C)CS1 ZINC000488582572 383563398 /nfs/dbraw/zinc/56/33/98/383563398.db2.gz OAGFSGGDQHLCDK-RFGFWPKPSA-N 2 0 256.459 2.589 20 0 CFADRP CCCOc1cccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261807195 383564750 /nfs/dbraw/zinc/56/47/50/383564750.db2.gz RXIUZRTYSVTIFJ-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1nn(C(C)C)cc1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261831653 383567090 /nfs/dbraw/zinc/56/70/90/383567090.db2.gz JDTIWXUVSKEGNT-ZWKOTPCHSA-N 2 0 298.434 2.699 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000570927725 383647688 /nfs/dbraw/zinc/64/76/88/383647688.db2.gz HVFZTNCNSBBZSR-UHFFFAOYSA-N 2 0 264.438 2.886 20 0 CFADRP FC(F)Oc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430936493 383614257 /nfs/dbraw/zinc/61/42/57/383614257.db2.gz YXJICACNXNRAPR-UHFFFAOYSA-N 2 0 296.361 2.864 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000262289932 383615498 /nfs/dbraw/zinc/61/54/98/383615498.db2.gz VWLOQTHYOKSEBH-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430960446 383616970 /nfs/dbraw/zinc/61/69/70/383616970.db2.gz JGNWYAFJXAKMCH-GOEBONIOSA-N 2 0 276.424 2.687 20 0 CFADRP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074756 383628121 /nfs/dbraw/zinc/62/81/21/383628121.db2.gz XSICAJPLUGQFOU-NWDGAFQWSA-N 2 0 280.416 2.664 20 0 CFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431084473 383628557 /nfs/dbraw/zinc/62/85/57/383628557.db2.gz OWJFPMZLMYJSPZ-RYUDHWBXSA-N 2 0 280.416 2.664 20 0 CFADRP CC(C)([NH3+])c1noc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000431087829 383629451 /nfs/dbraw/zinc/62/94/51/383629451.db2.gz CBZALGHTKDOPOP-VXGBXAGGSA-N 2 0 294.443 2.958 20 0 CFADRP C[N@H+](CCC[C@H]1CCOC1)CC[C@@H]1CCCC[NH+]1C ZINC000645808465 383755561 /nfs/dbraw/zinc/75/55/61/383755561.db2.gz QCHRSVJQNADXLU-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP CCOc1cc(C[N@H+](C)CCC[NH3+])ccc1OCC(C)C ZINC000572243237 383765222 /nfs/dbraw/zinc/76/52/22/383765222.db2.gz RLXBZRCHCNMHCM-UHFFFAOYSA-N 2 0 294.439 2.901 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccncn2)c1 ZINC000453110677 383770557 /nfs/dbraw/zinc/77/05/57/383770557.db2.gz RAIWDUZHWBHZIM-AWEZNQCLSA-N 2 0 284.407 2.779 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncc1 ZINC000453129855 383777507 /nfs/dbraw/zinc/77/75/07/383777507.db2.gz KVHMLALZFJCBDA-OAGGEKHMSA-N 2 0 261.413 2.995 20 0 CFADRP C([NH2+][C@@H]1CCCOCC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436305323 383803988 /nfs/dbraw/zinc/80/39/88/383803988.db2.gz GEYUEAURQCQRNE-NVXWUHKLSA-N 2 0 280.456 2.942 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000436306602 383804131 /nfs/dbraw/zinc/80/41/31/383804131.db2.gz KWGQUTZFQSPIID-XJKSGUPXSA-N 2 0 278.465 2.881 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2nccn21 ZINC000453229548 383808800 /nfs/dbraw/zinc/80/88/00/383808800.db2.gz REHMIMQRSODDDF-LSDHHAIUSA-N 2 0 276.428 2.745 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@@H](C)C1 ZINC000453234428 383810047 /nfs/dbraw/zinc/81/00/47/383810047.db2.gz IKONHTNQTYOTSK-UIDBIOKJSA-N 2 0 286.435 2.604 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)[C@@H](C)C1 ZINC000453234426 383810475 /nfs/dbraw/zinc/81/04/75/383810475.db2.gz IKONHTNQTYOTSK-JWMHWRSXSA-N 2 0 286.435 2.604 20 0 CFADRP CCc1nnc([C@@H](C)N(C)CCCC[NH+]2CCCCC2)o1 ZINC000640530595 383818656 /nfs/dbraw/zinc/81/86/56/383818656.db2.gz DULCKYWWYPUOQT-CQSZACIVSA-N 2 0 294.443 2.891 20 0 CFADRP CCc1noc([C@@H](C)N(C)CCCC[NH+]2CCCCC2)n1 ZINC000640531768 383818756 /nfs/dbraw/zinc/81/87/56/383818756.db2.gz QTBQOAQEZLHILN-CQSZACIVSA-N 2 0 294.443 2.891 20 0 CFADRP COc1ncccc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533197 383819697 /nfs/dbraw/zinc/81/96/97/383819697.db2.gz DXIYIVXGOXUOET-UHFFFAOYSA-N 2 0 291.439 2.788 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(CO)cc1 ZINC000640533219 383820222 /nfs/dbraw/zinc/82/02/22/383820222.db2.gz PQMUWOQPERAOPZ-UHFFFAOYSA-N 2 0 290.451 2.877 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414497324 533011260 /nfs/dbraw/zinc/01/12/60/533011260.db2.gz SOPMVIPIXRTGNR-GHMZBOCLSA-N 2 0 268.405 2.812 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C1(CC)CC ZINC000435885322 383781403 /nfs/dbraw/zinc/78/14/03/383781403.db2.gz IORSVRWFNJVKLF-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2s1 ZINC000572842211 383825524 /nfs/dbraw/zinc/82/55/24/383825524.db2.gz WGXFRACOBHPVJE-UWVGGRQHSA-N 2 0 263.410 2.820 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](CC2CC2)C(C)C)cc1 ZINC000572587675 383794906 /nfs/dbraw/zinc/79/49/06/383794906.db2.gz GEMGFEMKLHVPAF-MRXNPFEDSA-N 2 0 276.424 2.858 20 0 CFADRP Cc1nc(-c2ccncc2)nc(NCC[N@@H+](C)C2CC2)c1C ZINC000264896165 383798275 /nfs/dbraw/zinc/79/82/75/383798275.db2.gz AJQDBKQAHWQWRQ-UHFFFAOYSA-N 2 0 297.406 2.662 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCC[NH3+])CCCO2 ZINC000423327315 291836422 /nfs/dbraw/zinc/83/64/22/291836422.db2.gz MUCLCENDELNQSG-OAHLLOKOSA-N 2 0 262.397 2.846 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCOC2(CCC2)C1)C1CC1 ZINC000453387852 383850732 /nfs/dbraw/zinc/85/07/32/383850732.db2.gz BLZNEBCUJOZTAX-AWEZNQCLSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ncc(Cl)s1)C1CC1 ZINC000453600295 383869947 /nfs/dbraw/zinc/86/99/47/383869947.db2.gz SPRMXQFXVCNZEH-UHFFFAOYSA-N 2 0 273.833 2.761 20 0 CFADRP COCc1cccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453605066 383871378 /nfs/dbraw/zinc/87/13/78/383871378.db2.gz ZYRQTPJQMUPVRM-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@H]1CCC[C@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646106451 383874654 /nfs/dbraw/zinc/87/46/54/383874654.db2.gz YWHACLWWRXCTFH-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106424 383874977 /nfs/dbraw/zinc/87/49/77/383874977.db2.gz XXXMYIDDVRXYDG-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1OC(C)C ZINC000422872774 533019195 /nfs/dbraw/zinc/01/91/95/533019195.db2.gz IPIFBKSLWPURDU-INIZCTEOSA-N 2 0 294.439 2.626 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000453623043 383886267 /nfs/dbraw/zinc/88/62/67/383886267.db2.gz BLKUNVROMJEEPP-AHCXZYCDSA-N 2 0 294.483 2.780 20 0 CFADRP COC1CCC(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000573234820 383895175 /nfs/dbraw/zinc/89/51/75/383895175.db2.gz ALHORJIZDLMMJL-UIDBIOKJSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)OC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000531616990 383897617 /nfs/dbraw/zinc/89/76/17/383897617.db2.gz RVALOWNDRNNXNA-OAHLLOKOSA-N 2 0 268.445 2.750 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000532212242 383992150 /nfs/dbraw/zinc/99/21/50/383992150.db2.gz PZJJQGRRPZYEDA-DLBZAZTESA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)C1CCOCC1 ZINC000532225287 383996047 /nfs/dbraw/zinc/99/60/47/383996047.db2.gz KJDUXBVDBKEHKQ-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CCCCOc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000531937116 383943837 /nfs/dbraw/zinc/94/38/37/383943837.db2.gz BZXXIPXJLZNPJC-WMLDXEAASA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC[C@H]1CCOC1 ZINC000438085742 383946383 /nfs/dbraw/zinc/94/63/83/383946383.db2.gz DNCBPSIMVOWZSU-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]CC[C@H]2CCOC2)CC1 ZINC000438092130 383946397 /nfs/dbraw/zinc/94/63/97/383946397.db2.gz IEOWVJLSUODEMT-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)C1CCOCC1 ZINC000531975367 383950529 /nfs/dbraw/zinc/95/05/29/383950529.db2.gz YRSOJDNQLOXKBY-RDJZCZTQSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCOCC1 ZINC000531995206 383955627 /nfs/dbraw/zinc/95/56/27/383955627.db2.gz HDPYLRSCXQZEPV-PMPSAXMXSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000070344082 412971645 /nfs/dbraw/zinc/97/16/45/412971645.db2.gz CYUWEQLWJWRWMX-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000532620342 384052114 /nfs/dbraw/zinc/05/21/14/384052114.db2.gz SSINPOZPROACGF-CHWSQXEVSA-N 2 0 252.446 2.989 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000070356426 412974238 /nfs/dbraw/zinc/97/42/38/412974238.db2.gz LHNBAJPFFWSLFY-OAHLLOKOSA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000532524326 384040664 /nfs/dbraw/zinc/04/06/64/384040664.db2.gz VDTPJIGTZHTKRJ-CPUCHLNUSA-N 2 0 276.424 2.729 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)s2)[C@@H](C)C1 ZINC000266128186 384088139 /nfs/dbraw/zinc/08/81/39/384088139.db2.gz QKPDQYHRGDOMRP-FZMZJTMJSA-N 2 0 252.427 2.876 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000574266673 384069001 /nfs/dbraw/zinc/06/90/01/384069001.db2.gz AHGWYWCECWVQSP-RHSMWYFYSA-N 2 0 275.440 2.938 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)n1 ZINC000574307889 384077659 /nfs/dbraw/zinc/07/76/59/384077659.db2.gz CBQLGHBBMPZXQX-NEXFUWMNSA-N 2 0 292.427 2.654 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641167607 384118179 /nfs/dbraw/zinc/11/81/79/384118179.db2.gz RYSCMHGNMLLQSF-ZFWWWQNUSA-N 2 0 293.459 2.587 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2sccc2C)[C@H](C)C1 ZINC000266144823 384093525 /nfs/dbraw/zinc/09/35/25/384093525.db2.gz VLBQIERJGZVRPR-CHWSQXEVSA-N 2 0 252.427 2.876 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574683478 384132798 /nfs/dbraw/zinc/13/27/98/384132798.db2.gz MIDQLJFZWJCHQO-BZZMCLGOSA-N 2 0 288.435 2.742 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000574877267 384158188 /nfs/dbraw/zinc/15/81/88/384158188.db2.gz LWWATMQUSFLGQL-QGZVFWFLSA-N 2 0 292.398 2.670 20 0 CFADRP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148607 412977801 /nfs/dbraw/zinc/97/78/01/412977801.db2.gz FNIHDALZJFEZIH-INIZCTEOSA-N 2 0 295.858 2.628 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000266498420 384187452 /nfs/dbraw/zinc/18/74/52/384187452.db2.gz WTFWLVDBMNWGTJ-SFHVURJKSA-N 2 0 290.451 2.801 20 0 CFADRP CCCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000266785251 384237180 /nfs/dbraw/zinc/23/71/80/384237180.db2.gz OFCCMKDCVHJPCV-QGZVFWFLSA-N 2 0 290.451 2.964 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000637965454 384313083 /nfs/dbraw/zinc/31/30/83/384313083.db2.gz RYBQDEKHFBCCII-GDBMZVCRSA-N 2 0 270.461 2.711 20 0 CFADRP Cc1ccsc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277502434 384320915 /nfs/dbraw/zinc/32/09/15/384320915.db2.gz NZNNTSZNTPTHLF-CYBMUJFWSA-N 2 0 252.427 2.973 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000641719792 384291424 /nfs/dbraw/zinc/29/14/24/384291424.db2.gz GOXAMMBTJIPHQB-BRWVUGGUSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1n[nH]cc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267270706 384341708 /nfs/dbraw/zinc/34/17/08/384341708.db2.gz MJTKTBPEBPYZJN-KSSFIOAISA-N 2 0 298.434 2.718 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000267292298 384350299 /nfs/dbraw/zinc/35/02/99/384350299.db2.gz YCNSAOVXPJUQIJ-CQSZACIVSA-N 2 0 276.424 2.558 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000641799490 384366808 /nfs/dbraw/zinc/36/68/08/384366808.db2.gz PUTUXSUVESEGFX-GJZGRUSLSA-N 2 0 291.439 2.757 20 0 CFADRP COc1cccc(C)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000638029692 384368628 /nfs/dbraw/zinc/36/86/28/384368628.db2.gz SETVKKDGRYRNRZ-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC[C@H]3CCO3)C2)CC1 ZINC000637977816 384324056 /nfs/dbraw/zinc/32/40/56/384324056.db2.gz KLCISJZGWZRNSV-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC[C@@H]3CCO3)C2)CC1 ZINC000637977818 384324634 /nfs/dbraw/zinc/32/46/34/384324634.db2.gz KLCISJZGWZRNSV-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000641805867 384373111 /nfs/dbraw/zinc/37/31/11/384373111.db2.gz PBCFPSBXXVFSKY-IAGOWNOFSA-N 2 0 284.403 2.934 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638067292 384389898 /nfs/dbraw/zinc/38/98/98/384389898.db2.gz REHIZQMXZQNMJP-HNNXBMFYSA-N 2 0 287.407 2.514 20 0 CFADRP CC[C@](C)(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000638120441 384433552 /nfs/dbraw/zinc/43/35/52/384433552.db2.gz DOWFDODGNMZJDC-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)[C@@H](C)CC)C1 ZINC000638127221 384440615 /nfs/dbraw/zinc/44/06/15/384440615.db2.gz IJNXPIYBNCRVNR-JYJNAYRXSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)C1(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000638178105 384472546 /nfs/dbraw/zinc/47/25/46/384472546.db2.gz FNQDURLRYYYWMT-BZUAXINKSA-N 2 0 280.456 2.606 20 0 CFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000643009747 384475404 /nfs/dbraw/zinc/47/54/04/384475404.db2.gz GQPDHHVWELGSQT-ZWNOBZJWSA-N 2 0 289.354 2.556 20 0 CFADRP CCc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc2[nH+]1 ZINC000643031771 384480965 /nfs/dbraw/zinc/48/09/65/384480965.db2.gz XXJNKXLSVXTXLY-CXAGYDPISA-N 2 0 281.403 2.985 20 0 CFADRP c1ccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCS2)cc1 ZINC000643057908 384488090 /nfs/dbraw/zinc/48/80/90/384488090.db2.gz ZPHSTCBUFWHYGL-GDBMZVCRSA-N 2 0 276.449 2.776 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000643057179 384488283 /nfs/dbraw/zinc/48/82/83/384488283.db2.gz REUQCRHYCRIUOA-CJNGLKHVSA-N 2 0 260.381 2.529 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc2c(n1)CCCC2 ZINC000278180486 384492160 /nfs/dbraw/zinc/49/21/60/384492160.db2.gz BMECTSRZUIQFTE-LBTNJELSSA-N 2 0 287.451 2.779 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000638319390 384554755 /nfs/dbraw/zinc/55/47/55/384554755.db2.gz VVNIYMZUBWVTOI-UHFFFAOYSA-N 2 0 296.842 2.665 20 0 CFADRP CN(C)[C@@H](C[NH2+]CCC1CCOCC1)Cc1ccccc1 ZINC000638300942 384541109 /nfs/dbraw/zinc/54/11/09/384541109.db2.gz LJAPXMKXRDVPSH-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000638362762 384587549 /nfs/dbraw/zinc/58/75/49/384587549.db2.gz DXAOJXPABNFHLM-SYQHCUMBSA-N 2 0 256.459 2.590 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](C)C2CCCCC2)CC1 ZINC000638363976 384588794 /nfs/dbraw/zinc/58/87/94/384588794.db2.gz UJCIEIBOPPTVPX-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638381053 384608783 /nfs/dbraw/zinc/60/87/83/384608783.db2.gz IGMZLRUOCINVEU-HNNXBMFYSA-N 2 0 276.424 2.775 20 0 CFADRP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638409461 384629940 /nfs/dbraw/zinc/62/99/40/384629940.db2.gz YALOQSYSMJCOEX-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638411130 384631510 /nfs/dbraw/zinc/63/15/10/384631510.db2.gz LTWGUKVTEGKUFX-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(CO)cc1 ZINC000638365219 384591490 /nfs/dbraw/zinc/59/14/90/384591490.db2.gz CPDCOMSPMPOIMT-INIZCTEOSA-N 2 0 290.451 2.923 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccns2)C1 ZINC000638367703 384592251 /nfs/dbraw/zinc/59/22/51/384592251.db2.gz XKRLRJVDOLOPBF-ZDUSSCGKSA-N 2 0 267.442 2.745 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC[C@H]1CCO1 ZINC000638366276 384593579 /nfs/dbraw/zinc/59/35/79/384593579.db2.gz MNEUHSCTRXCUIQ-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638369923 384596031 /nfs/dbraw/zinc/59/60/31/384596031.db2.gz JMXKGIMNOXUBMO-BRWVUGGUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CS1 ZINC000638371345 384598969 /nfs/dbraw/zinc/59/89/69/384598969.db2.gz QUDSSXOYJZCQHT-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)C1CC[NH+](C)CC1 ZINC000643349295 384602004 /nfs/dbraw/zinc/60/20/04/384602004.db2.gz OEMHIHMXDGSIIU-HIFRSBDPSA-N 2 0 282.497 2.840 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000643497871 384662799 /nfs/dbraw/zinc/66/27/99/384662799.db2.gz SUYHYFLHHVDYMZ-NSHDSACASA-N 2 0 282.815 2.999 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000643497309 384663657 /nfs/dbraw/zinc/66/36/57/384663657.db2.gz FSTHTGGSASZTFX-CYBMUJFWSA-N 2 0 278.465 2.929 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)[C@@H]1CCC[NH2+]C1 ZINC000643503427 384673745 /nfs/dbraw/zinc/67/37/45/384673745.db2.gz SNFWZMMPAQLCKS-USBNGQNGSA-N 2 0 280.362 2.930 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000643457087 384637115 /nfs/dbraw/zinc/63/71/15/384637115.db2.gz SUKXNBGPHGINFF-BPQIPLTHSA-N 2 0 290.451 2.578 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000643457088 384637214 /nfs/dbraw/zinc/63/72/14/384637214.db2.gz SUKXNBGPHGINFF-CGTJXYLNSA-N 2 0 290.451 2.578 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CCCC[C@H]3C[NH3+])nc21 ZINC000643458878 384639550 /nfs/dbraw/zinc/63/95/50/384639550.db2.gz SGSLSIFPAOBBOS-KBPBESRZSA-N 2 0 287.407 2.786 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466843 384646174 /nfs/dbraw/zinc/64/61/74/384646174.db2.gz SQDHGJLTHKYCGR-ILXRZTDVSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)(C[NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCCCO1 ZINC000643466616 384646423 /nfs/dbraw/zinc/64/64/23/384646423.db2.gz IKXDNJSZPLBIAY-NRXISQOPSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000643466756 384646522 /nfs/dbraw/zinc/64/65/22/384646522.db2.gz MNQOUXPRFXVEDM-RRFJBIMHSA-N 2 0 268.445 2.702 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](CC(C)C)OC)CC1 ZINC000638428987 384647515 /nfs/dbraw/zinc/64/75/15/384647515.db2.gz GENNUVUTEMCAPV-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000643468073 384648683 /nfs/dbraw/zinc/64/86/83/384648683.db2.gz QGEGPAMOTHRWSJ-GUYCJALGSA-N 2 0 258.409 2.968 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000643467572 384648768 /nfs/dbraw/zinc/64/87/68/384648768.db2.gz ULVDXONPVJYMRG-TUKIKUTGSA-N 2 0 282.815 2.745 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000268710599 384650598 /nfs/dbraw/zinc/65/05/98/384650598.db2.gz GPOJPQTYNONSSW-QGTPRVQTSA-N 2 0 272.436 2.864 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000643474171 384652293 /nfs/dbraw/zinc/65/22/93/384652293.db2.gz LLZSSPYCIPIQAM-YKWDICOMSA-N 2 0 290.451 2.618 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643478069 384654307 /nfs/dbraw/zinc/65/43/07/384654307.db2.gz SATMMKWQZZECJU-CABCVRRESA-N 2 0 260.425 2.899 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000643480618 384656122 /nfs/dbraw/zinc/65/61/22/384656122.db2.gz HHZBWHONMAHHEC-SKDRFNHKSA-N 2 0 270.323 2.505 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000643493745 384660966 /nfs/dbraw/zinc/66/09/66/384660966.db2.gz HRWNUCPLIVYASZ-JQFCIGGWSA-N 2 0 276.424 2.733 20 0 CFADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000643493734 384661535 /nfs/dbraw/zinc/66/15/35/384661535.db2.gz GFWRFLZYNIZXQI-IIDMSEBBSA-N 2 0 290.451 2.994 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546575 384723941 /nfs/dbraw/zinc/72/39/41/384723941.db2.gz RGZYMVHNDDLRSA-HOCLYGCPSA-N 2 0 256.393 2.938 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)OCO2 ZINC000643546001 384724234 /nfs/dbraw/zinc/72/42/34/384724234.db2.gz GYPRSKQXRSHOHE-JSGCOSHPSA-N 2 0 288.391 2.741 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]CCC[NH2+]C1CC1)C2 ZINC000643545071 384724443 /nfs/dbraw/zinc/72/44/43/384724443.db2.gz HQAPJMXMVDXIRN-KRWDZBQOSA-N 2 0 258.409 2.666 20 0 CFADRP COc1ncc(C[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000638527933 384724487 /nfs/dbraw/zinc/72/44/87/384724487.db2.gz OMPDISJRJSPMNW-UHFFFAOYSA-N 2 0 297.468 2.898 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545759 384724522 /nfs/dbraw/zinc/72/45/22/384724522.db2.gz BQOKNVJYWWAAOT-ZIAGYGMSSA-N 2 0 262.397 2.865 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546288 384725115 /nfs/dbraw/zinc/72/51/15/384725115.db2.gz LYEWTWZLDZNTJT-QWHCGFSZSA-N 2 0 264.438 2.943 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643546877 384725409 /nfs/dbraw/zinc/72/54/09/384725409.db2.gz WBZXPOUBVUZLAL-PBHICJAKSA-N 2 0 286.419 2.947 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000643508528 384680873 /nfs/dbraw/zinc/68/08/73/384680873.db2.gz ZREAQEDKWMDIKW-MRXNPFEDSA-N 2 0 261.413 2.911 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643512317 384682353 /nfs/dbraw/zinc/68/23/53/384682353.db2.gz GILITYYEBVVJGF-RRFJBIMHSA-N 2 0 259.397 2.566 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000643511244 384682856 /nfs/dbraw/zinc/68/28/56/384682856.db2.gz CCEJMNXXQOZUSR-CMPLNLGQSA-N 2 0 277.368 2.557 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000643513065 384684380 /nfs/dbraw/zinc/68/43/80/384684380.db2.gz PWLRVMUFBMLSTH-HZPDHXFCSA-N 2 0 268.445 2.846 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268878714 384684736 /nfs/dbraw/zinc/68/47/36/384684736.db2.gz MBQAUUKLFUKQEM-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP CC1(C[NH2+][C@H]2CCCc3ccccc3C2)CC[NH2+]CC1 ZINC000643518347 384685086 /nfs/dbraw/zinc/68/50/86/384685086.db2.gz YVIRXLSALPUWDZ-KRWDZBQOSA-N 2 0 272.436 2.913 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000643522012 384686556 /nfs/dbraw/zinc/68/65/56/384686556.db2.gz GHGNOCPSWXBGEP-GJZGRUSLSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CCSCC1 ZINC000643548777 384726433 /nfs/dbraw/zinc/72/64/33/384726433.db2.gz UYUDZMNPOIYNRM-GXTWGEPZSA-N 2 0 268.470 2.782 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521948 384687241 /nfs/dbraw/zinc/68/72/41/384687241.db2.gz FSTIBBFJXNWHDY-MNOVXSKESA-N 2 0 254.399 2.549 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000643522330 384689116 /nfs/dbraw/zinc/68/91/16/384689116.db2.gz LRLXZRLKKBEPQQ-HYVNUMGLSA-N 2 0 273.424 2.840 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000643523901 384691754 /nfs/dbraw/zinc/69/17/54/384691754.db2.gz MKXITHQGHSLRLO-MELADBBJSA-N 2 0 262.397 2.924 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)NC[C@H](C)[NH3+])c1 ZINC000643526127 384693886 /nfs/dbraw/zinc/69/38/86/384693886.db2.gz QCRIJXJBTIELHJ-VHSXEESVSA-N 2 0 258.312 2.594 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CCn2ccnc21)c1ccc2ccccc2c1 ZINC000643525146 384694179 /nfs/dbraw/zinc/69/41/79/384694179.db2.gz ZUYISAWQLGTVJG-IRXDYDNUSA-N 2 0 292.386 2.771 20 0 CFADRP CC[C@@H](NC[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643525686 384694663 /nfs/dbraw/zinc/69/46/63/384694663.db2.gz AXEPIHVAOWPCAK-BXKDBHETSA-N 2 0 271.202 2.837 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000643526280 384695565 /nfs/dbraw/zinc/69/55/65/384695565.db2.gz XOKUEBSFWVQYGW-XYPHTWIQSA-N 2 0 258.409 2.664 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268942169 384697996 /nfs/dbraw/zinc/69/79/96/384697996.db2.gz AMHGAKJSDONASJ-KRWDZBQOSA-N 2 0 290.451 2.746 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000643527461 384698884 /nfs/dbraw/zinc/69/88/84/384698884.db2.gz NDYKYKSPADZPJK-HZMBPMFUSA-N 2 0 252.789 2.598 20 0 CFADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 ZINC000643528933 384701110 /nfs/dbraw/zinc/70/11/10/384701110.db2.gz RBDPQYWMMRHDNN-NWRQEBOHSA-N 2 0 276.424 2.899 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c2ccccc12 ZINC000643528598 384701852 /nfs/dbraw/zinc/70/18/52/384701852.db2.gz LSAKVANJDUVNES-VXGBXAGGSA-N 2 0 258.365 2.846 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@@H]2[NH2+]CCc3ccccc32)c2ccccc21 ZINC000643531658 384703090 /nfs/dbraw/zinc/70/30/90/384703090.db2.gz BPLJPQXLDRDZOG-QRVBRYPASA-N 2 0 293.414 2.608 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000643529600 384703317 /nfs/dbraw/zinc/70/33/17/384703317.db2.gz FKRHGYCQAHDICI-QMTHXVAHSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000643529887 384703768 /nfs/dbraw/zinc/70/37/68/384703768.db2.gz UEJZQSNURMMSIZ-VHRBIJSZSA-N 2 0 252.789 2.913 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000643534256 384705358 /nfs/dbraw/zinc/70/53/58/384705358.db2.gz PBPZZCOPLWYKIJ-JQWIXIFHSA-N 2 0 265.426 2.553 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000643533330 384705597 /nfs/dbraw/zinc/70/55/97/384705597.db2.gz ITTWRKRUBGCXEO-QWRGUYRKSA-N 2 0 277.368 2.702 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000643534425 384705647 /nfs/dbraw/zinc/70/56/47/384705647.db2.gz UXUHVTJTLJUGCO-IINYFYTJSA-N 2 0 266.335 2.758 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534509 384706070 /nfs/dbraw/zinc/70/60/70/384706070.db2.gz WKCHHCDGKDXSMA-HOTGVXAUSA-N 2 0 256.393 2.714 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643547420 384727388 /nfs/dbraw/zinc/72/73/88/384727388.db2.gz FFXSGXGGZQDJOB-CABCVRRESA-N 2 0 259.397 2.797 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534643 384707274 /nfs/dbraw/zinc/70/72/74/384707274.db2.gz ZFJONARFIWXSBQ-CVEARBPZSA-N 2 0 256.393 2.714 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cn1 ZINC000643535394 384709567 /nfs/dbraw/zinc/70/95/67/384709567.db2.gz LPGXBBNXGNLINY-GWCFXTLKSA-N 2 0 265.788 2.528 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535169 384710001 /nfs/dbraw/zinc/71/00/01/384710001.db2.gz JVTQDOAABCPHMT-STQMWFEESA-N 2 0 277.437 2.561 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1(CC)CC ZINC000643535198 384710018 /nfs/dbraw/zinc/71/00/18/384710018.db2.gz KGOAWEWIGGNTNN-QLFBSQMISA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CCSCC1 ZINC000643548778 384727522 /nfs/dbraw/zinc/72/75/22/384727522.db2.gz UYUDZMNPOIYNRM-JSGCOSHPSA-N 2 0 268.470 2.782 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000269005350 384711095 /nfs/dbraw/zinc/71/10/95/384711095.db2.gz QGYRVDYXNYEYOA-JQHSSLGASA-N 2 0 290.451 2.504 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536743 384711315 /nfs/dbraw/zinc/71/13/15/384711315.db2.gz WGWGMHYEURAYEW-CVEARBPZSA-N 2 0 274.383 2.935 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)C2 ZINC000643536656 384711920 /nfs/dbraw/zinc/71/19/20/384711920.db2.gz UIADYMIKWIVHGD-IAGOWNOFSA-N 2 0 270.420 2.666 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536920 384713560 /nfs/dbraw/zinc/71/35/60/384713560.db2.gz XHCSMPBMUWFNIC-APIJFGDWSA-N 2 0 250.430 2.933 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000643536984 384713864 /nfs/dbraw/zinc/71/38/64/384713864.db2.gz ZTZANWMEHNSPKJ-GXFFZTMASA-N 2 0 295.814 2.536 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643547942 384727595 /nfs/dbraw/zinc/72/75/95/384727595.db2.gz HVICXHCKZUTOGN-CUSZFKRNSA-N 2 0 270.420 2.960 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(C)s1 ZINC000643542774 384722501 /nfs/dbraw/zinc/72/25/01/384722501.db2.gz XTKFGLGDJJBVGU-AXTRIDKLSA-N 2 0 253.415 2.538 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643549105 384729111 /nfs/dbraw/zinc/72/91/11/384729111.db2.gz BBKRSRGUJLIXRS-BWCYYRKRSA-N 2 0 292.373 2.930 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000638566561 384745498 /nfs/dbraw/zinc/74/54/98/384745498.db2.gz LYSHYELFYQRAIV-FHERZECASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H](OC)C2CCCC2)CC1 ZINC000638566086 384745755 /nfs/dbraw/zinc/74/57/55/384745755.db2.gz ZVHJPODLYPDNHL-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000638566664 384746124 /nfs/dbraw/zinc/74/61/24/384746124.db2.gz CCMABZBCEHHTAW-INIZCTEOSA-N 2 0 272.436 2.723 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638566558 384746680 /nfs/dbraw/zinc/74/66/80/384746680.db2.gz LTUWFCUPYXLXFM-UHFFFAOYSA-N 2 0 276.424 2.775 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000279810157 384770437 /nfs/dbraw/zinc/77/04/37/384770437.db2.gz XFDLUSCMXUDDGY-WMLDXEAASA-N 2 0 274.408 2.614 20 0 CFADRP CCc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638680049 384830689 /nfs/dbraw/zinc/83/06/89/384830689.db2.gz KUXJOZOOMQUART-UHFFFAOYSA-N 2 0 290.451 2.574 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H](C)C1 ZINC000638611057 384784380 /nfs/dbraw/zinc/78/43/80/384784380.db2.gz SOYKYAAWKJUAEC-IIAWOOMASA-N 2 0 282.472 2.636 20 0 CFADRP Cc1ccncc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000279911609 384808368 /nfs/dbraw/zinc/80/83/68/384808368.db2.gz LXGUEGXZSRDGEA-HNNXBMFYSA-N 2 0 275.440 2.992 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166650 384879988 /nfs/dbraw/zinc/87/99/88/384879988.db2.gz IEARRKHWKYMYGS-MRVWCRGKSA-N 2 0 252.427 2.929 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]CCC1CC[NH+](CC)CC1)OC ZINC000638694024 384841460 /nfs/dbraw/zinc/84/14/60/384841460.db2.gz YVGFHAWLVYROHP-HOCLYGCPSA-N 2 0 270.461 2.759 20 0 CFADRP C[N@@H+](Cc1ccnn1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000279996381 384844249 /nfs/dbraw/zinc/84/42/49/384844249.db2.gz URSXMIVKMWBUFT-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP CC[C@@H](C)C[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638702809 384851363 /nfs/dbraw/zinc/85/13/63/384851363.db2.gz SJVCTGLCUNOVEA-KGLIPLIRSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638787795 384919963 /nfs/dbraw/zinc/91/99/63/384919963.db2.gz FSIYPEBSTBRGIQ-SFHVURJKSA-N 2 0 290.451 2.637 20 0 CFADRP CCC(CC)C[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000644547075 384925181 /nfs/dbraw/zinc/92/51/81/384925181.db2.gz KCJCBLDUQSCVMA-KRWDZBQOSA-N 2 0 278.440 2.505 20 0 CFADRP CCC[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638837656 384970755 /nfs/dbraw/zinc/97/07/55/384970755.db2.gz WPFCRAARTCDJJB-KRWDZBQOSA-N 2 0 291.439 2.703 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+]CCC[NH+]3CCCC3)C2)cc1 ZINC000638849526 384984591 /nfs/dbraw/zinc/98/45/91/384984591.db2.gz VWQAUVKLGBLDKK-QGZVFWFLSA-N 2 0 287.451 2.588 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CC1(F)F ZINC000638851393 384986423 /nfs/dbraw/zinc/98/64/23/384986423.db2.gz JWYVZKZINKFMBS-FZMZJTMJSA-N 2 0 268.351 2.882 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](C)C2CCCCC2)CC1 ZINC000638854960 384988560 /nfs/dbraw/zinc/98/85/60/384988560.db2.gz YKIWKFNEFHOWMT-KRWDZBQOSA-N 2 0 295.515 2.820 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000638874403 385006631 /nfs/dbraw/zinc/00/66/31/385006631.db2.gz RYFCHLDLOCQQPU-SJORKVTESA-N 2 0 294.483 2.780 20 0 CFADRP CCc1cccnc1N[C@@H](c1nccn1C)C1CC1 ZINC000638885318 385015513 /nfs/dbraw/zinc/01/55/13/385015513.db2.gz BVUNSKQCLALTLF-CYBMUJFWSA-N 2 0 256.353 2.941 20 0 CFADRP C[C@H](CO)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000270321475 385053851 /nfs/dbraw/zinc/05/38/51/385053851.db2.gz YCPZGNCLWQFDGH-BQFCYCMXSA-N 2 0 290.451 2.505 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(F)F)nc3)[C@H]2C1 ZINC000638917516 385031540 /nfs/dbraw/zinc/03/15/40/385031540.db2.gz GGLMNZITJLZFMY-OCCSQVGLSA-N 2 0 281.350 2.545 20 0 CFADRP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC=C(C)CC3)c2cc1C ZINC000270388806 385083350 /nfs/dbraw/zinc/08/33/50/385083350.db2.gz XUGOSUJYLADXAF-INIZCTEOSA-N 2 0 299.418 2.666 20 0 CFADRP CO[C@@](C)(C[NH2+]CC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000639039057 385111404 /nfs/dbraw/zinc/11/14/04/385111404.db2.gz ZJZILFOZGWXXII-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289203745 197262259 /nfs/dbraw/zinc/26/22/59/197262259.db2.gz BNCBCWILNJNMJQ-JWTNVVGKSA-N 2 0 287.451 2.880 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000270487648 385121126 /nfs/dbraw/zinc/12/11/26/385121126.db2.gz OUECYFJTWVQXNM-ZBFHGGJFSA-N 2 0 262.372 2.742 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CC1(F)F ZINC000639047747 385123793 /nfs/dbraw/zinc/12/37/93/385123793.db2.gz UVEJUIOALRYYKU-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CC1(F)F ZINC000639047746 385124283 /nfs/dbraw/zinc/12/42/83/385124283.db2.gz UVEJUIOALRYYKU-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(CO)c1 ZINC000270526842 385134355 /nfs/dbraw/zinc/13/43/55/385134355.db2.gz SZROLRCAUYNRLG-RRQGHBQHSA-N 2 0 276.424 2.702 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280805661 385160374 /nfs/dbraw/zinc/16/03/74/385160374.db2.gz ISMNCQOIUDTOML-HOTGVXAUSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000639090992 385174202 /nfs/dbraw/zinc/17/42/02/385174202.db2.gz PUYSNIAELLEWDZ-HUUCEWRRSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](c1ccncc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645186892 385231286 /nfs/dbraw/zinc/23/12/86/385231286.db2.gz SBSMUICAYRTFEI-ZBFHGGJFSA-N 2 0 259.397 2.560 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422768038 296386629 /nfs/dbraw/zinc/38/66/29/296386629.db2.gz SXENONRWMYHIDN-OWCLPIDISA-N 2 0 281.488 2.604 20 0 CFADRP COc1cccc(C)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000639109257 385204539 /nfs/dbraw/zinc/20/45/39/385204539.db2.gz UTDUUAMIISMVMK-UHFFFAOYSA-N 2 0 288.435 2.968 20 0 CFADRP CSC1(C[NH2+]Cc2ccccc2OCC[NH+](C)C)CC1 ZINC000289079640 197229317 /nfs/dbraw/zinc/22/93/17/197229317.db2.gz DCKDTWJPSWEYHB-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP CC[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282480611 385322075 /nfs/dbraw/zinc/32/20/75/385322075.db2.gz LPKYNFWSXYSEQL-IRXDYDNUSA-N 2 0 290.451 2.648 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@@](C)(CC)OC ZINC000639174573 385280532 /nfs/dbraw/zinc/28/05/32/385280532.db2.gz CHTGXZTXKLBSOP-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000639176156 385282909 /nfs/dbraw/zinc/28/29/09/385282909.db2.gz CTWONBMSTUEMMN-HNNXBMFYSA-N 2 0 289.423 2.716 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)sn1 ZINC000639176448 385284803 /nfs/dbraw/zinc/28/48/03/385284803.db2.gz GXUNKKDLXRKEHH-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(F)F)nc1 ZINC000639179038 385288672 /nfs/dbraw/zinc/28/86/72/385288672.db2.gz RCTOVLOZOHTAES-SMDDNHRTSA-N 2 0 283.366 2.791 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc2ccccc2n1C ZINC000639178145 385289726 /nfs/dbraw/zinc/28/97/26/385289726.db2.gz IQQNSHSJYPFQER-YOEHRIQHSA-N 2 0 285.435 2.950 20 0 CFADRP CC[C@@](C)(C[NH2+]CCCCC[NH+]1CCCC1)OC ZINC000639210102 385332263 /nfs/dbraw/zinc/33/22/63/385332263.db2.gz HCVASKLWVLZTMC-HNNXBMFYSA-N 2 0 256.434 2.657 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000639210140 385332791 /nfs/dbraw/zinc/33/27/91/385332791.db2.gz IMEUIQLTZRVBGG-OLZOCXBDSA-N 2 0 260.372 2.886 20 0 CFADRP Cc1ncc([C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000639206878 385328142 /nfs/dbraw/zinc/32/81/42/385328142.db2.gz CTGFTIAOHHUNIJ-PBHICJAKSA-N 2 0 288.439 2.572 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000639275054 385403442 /nfs/dbraw/zinc/40/34/42/385403442.db2.gz GZYHREQAPVXXQK-UHFFFAOYSA-N 2 0 263.385 2.514 20 0 CFADRP C([NH2+][C@H]1CCCN2CCCC[C@@H]12)C1CCSCC1 ZINC000639302294 385429143 /nfs/dbraw/zinc/42/91/43/385429143.db2.gz LDXLTJROUWEDMK-GJZGRUSLSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@H]1C[C@H](Nc2cncc3c2CCCC3)CC[N@@H+]1C ZINC000639303746 385431933 /nfs/dbraw/zinc/43/19/33/385431933.db2.gz SWDKDYSEOAQAKY-GXTWGEPZSA-N 2 0 259.397 2.855 20 0 CFADRP C[C@@H]1CC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)C1 ZINC000639307502 385435405 /nfs/dbraw/zinc/43/54/05/385435405.db2.gz AGIJEFUOMDUZEF-GJZGRUSLSA-N 2 0 296.499 2.884 20 0 CFADRP COc1c(O)cccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000272223526 385478778 /nfs/dbraw/zinc/47/87/78/385478778.db2.gz CIPIJWNNMGQTNW-UHFFFAOYSA-N 2 0 292.423 2.565 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000639360531 385481513 /nfs/dbraw/zinc/48/15/13/385481513.db2.gz XEIDPNRWOIHTFE-SOLBZPMBSA-N 2 0 290.451 2.627 20 0 CFADRP COC1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000639360014 385481615 /nfs/dbraw/zinc/48/16/15/385481615.db2.gz SCEGDKITIVRRPH-WSDZMALLSA-N 2 0 288.435 2.522 20 0 CFADRP CO[C@@H](CC(C)C)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639375238 385492672 /nfs/dbraw/zinc/49/26/72/385492672.db2.gz RNGFMGIDMPNKSF-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000639375721 385493120 /nfs/dbraw/zinc/49/31/20/385493120.db2.gz BJGBENMSKSFTKZ-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP CN(C/C=C\c1ccc(F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395547 385512961 /nfs/dbraw/zinc/51/29/61/385512961.db2.gz BVCLFOODZQBRKV-KYVUIXNKSA-N 2 0 274.383 2.865 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000337376099 285179034 /nfs/dbraw/zinc/17/90/34/285179034.db2.gz AKIFVNCWORPGFS-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000639473578 385550675 /nfs/dbraw/zinc/55/06/75/385550675.db2.gz FAVCXZCMHRRTIX-OKZBNKHCSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1F ZINC000272539035 385560777 /nfs/dbraw/zinc/56/07/77/385560777.db2.gz BUVREWXZYNXQKP-GOEBONIOSA-N 2 0 262.372 2.660 20 0 CFADRP CC[C@H](O)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572561 385566466 /nfs/dbraw/zinc/56/64/66/385566466.db2.gz INLCTDRIUPYPKY-NXHRZFHOSA-N 2 0 290.451 2.648 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000272589376 385569911 /nfs/dbraw/zinc/56/99/11/385569911.db2.gz QUFCPHWPLXEEKO-UHFFFAOYSA-N 2 0 286.419 2.784 20 0 CFADRP CC[C@@H]1CN(Cc2ccccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000122271233 413005300 /nfs/dbraw/zinc/00/53/00/413005300.db2.gz JRILLEKNTSMUST-YPMHNXCESA-N 2 0 284.350 2.847 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH3+])C(C)C)cc1 ZINC000423298598 533131498 /nfs/dbraw/zinc/13/14/98/533131498.db2.gz OSJJHCHBAVOTEW-WFASDCNBSA-N 2 0 250.386 2.577 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000340245959 285185146 /nfs/dbraw/zinc/18/51/46/285185146.db2.gz GLORJWABEUAQIL-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)s1 ZINC000122370120 413004166 /nfs/dbraw/zinc/00/41/66/413004166.db2.gz KFEFKIQCQNTADC-RISCZKNCSA-N 2 0 252.427 2.870 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@H](C)C[NH3+])C(C)C)cc1 ZINC000423298595 533132875 /nfs/dbraw/zinc/13/28/75/533132875.db2.gz OSJJHCHBAVOTEW-DOMZBBRYSA-N 2 0 250.386 2.577 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000122291396 413004529 /nfs/dbraw/zinc/00/45/29/413004529.db2.gz ASMHSGWQEHCHAB-ZENOOKHLSA-N 2 0 262.397 2.815 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc([S@@](C)=O)cc1 ZINC000272933467 385658758 /nfs/dbraw/zinc/65/87/58/385658758.db2.gz KEYLMBBPVPDBKU-ZQGRQUNCSA-N 2 0 294.464 2.559 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639754522 385696507 /nfs/dbraw/zinc/69/65/07/385696507.db2.gz BMVBUQGKFDUJRY-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755773 385697872 /nfs/dbraw/zinc/69/78/72/385697872.db2.gz MRQGLALHDFSJGY-QGZVFWFLSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639759599 385699064 /nfs/dbraw/zinc/69/90/64/385699064.db2.gz CWCMHGVRFCWTLF-UHFFFAOYSA-N 2 0 258.409 2.913 20 0 CFADRP Cc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cn2c1 ZINC000639760352 385699985 /nfs/dbraw/zinc/69/99/85/385699985.db2.gz VVDSANHIXVYSKW-UHFFFAOYSA-N 2 0 298.434 2.560 20 0 CFADRP COCC1(C[NH2+]Cc2cccc(C3CC3)c2)CC[NH2+]CC1 ZINC000422552558 533140691 /nfs/dbraw/zinc/14/06/91/533140691.db2.gz HMMCFXGVDNPZAC-UHFFFAOYSA-N 2 0 288.435 2.670 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000639985611 385805829 /nfs/dbraw/zinc/80/58/29/385805829.db2.gz CBEGETHMSBVDIE-INIZCTEOSA-N 2 0 280.456 2.896 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639987330 385808013 /nfs/dbraw/zinc/80/80/13/385808013.db2.gz HQKGQYGLNFSGCT-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000274606642 385833009 /nfs/dbraw/zinc/83/30/09/385833009.db2.gz RTUNKYILBGCUOH-LLVKDONJSA-N 2 0 256.415 2.749 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000274630554 385837657 /nfs/dbraw/zinc/83/76/57/385837657.db2.gz ZKNWJWNPPLNVHN-NSHDSACASA-N 2 0 266.410 2.669 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274641078 385839732 /nfs/dbraw/zinc/83/97/32/385839732.db2.gz KAYCNBUAFOSVLZ-UHFFFAOYSA-N 2 0 292.423 2.763 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2cc(C)ccc2C)CC[C@@H]1[NH3+] ZINC000122766561 413009617 /nfs/dbraw/zinc/00/96/17/413009617.db2.gz QZHNPQLDLNUEGV-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP CC/C=C\CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000681025212 542401842 /nfs/dbraw/zinc/40/18/42/542401842.db2.gz LSLOXKVVMNMXMH-XTYCPRDBSA-N 2 0 266.429 2.526 20 0 CFADRP CC(C)(C[NH2+]Cc1cccs1)C[NH+]1CCCC1 ZINC000276691129 386015618 /nfs/dbraw/zinc/01/56/18/386015618.db2.gz KQTFYCULVBOKJL-UHFFFAOYSA-N 2 0 252.427 2.960 20 0 CFADRP CC[NH+]1CCC(NCc2ccc(N(C)C(C)C)nc2)CC1 ZINC000277014660 386108270 /nfs/dbraw/zinc/10/82/70/386108270.db2.gz IVGMVBWRWPLSHD-UHFFFAOYSA-N 2 0 290.455 2.500 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884718 285217785 /nfs/dbraw/zinc/21/77/85/285217785.db2.gz QNXRRDWZSQVRPU-OAHLLOKOSA-N 2 0 268.445 2.512 20 0 CFADRP CN(CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277096591 386128615 /nfs/dbraw/zinc/12/86/15/386128615.db2.gz GFIMYDOUPVNVSS-INIZCTEOSA-N 2 0 275.440 2.539 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@H](C)[C@H](O)c3ccccc3)n2c1 ZINC000288407138 197069684 /nfs/dbraw/zinc/06/96/84/197069684.db2.gz AIWJDJJTZKEAPP-KDOFPFPSSA-N 2 0 295.386 2.854 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1OC ZINC000423245743 533167725 /nfs/dbraw/zinc/16/77/25/533167725.db2.gz JIDOQMBHRSNJBU-UONOGXRCSA-N 2 0 292.423 2.662 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000247254668 285234887 /nfs/dbraw/zinc/23/48/87/285234887.db2.gz ZYHBVRZRMWTOFC-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP OC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000305103202 285239112 /nfs/dbraw/zinc/23/91/12/285239112.db2.gz CAFSYKAVXCTVFJ-UHFFFAOYSA-N 2 0 280.456 2.678 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414902927 533184584 /nfs/dbraw/zinc/18/45/84/533184584.db2.gz YXODTCDNBULCAZ-CYBMUJFWSA-N 2 0 285.391 2.584 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000126713037 413019577 /nfs/dbraw/zinc/01/95/77/413019577.db2.gz SZSAAWDKEWRMES-CQSZACIVSA-N 2 0 276.424 2.645 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281229181 195158214 /nfs/dbraw/zinc/15/82/14/195158214.db2.gz MEPCUNIWOYJLOA-HNNXBMFYSA-N 2 0 265.376 2.603 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C2CC2)cc1 ZINC000423395380 533198937 /nfs/dbraw/zinc/19/89/37/533198937.db2.gz SRUVIRVAGYMEQB-SRCQZFHVSA-N 2 0 274.408 2.876 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)C1 ZINC000281331386 195200839 /nfs/dbraw/zinc/20/08/39/195200839.db2.gz UAIXVRYIVXPFKA-WBMJQRKESA-N 2 0 292.398 2.753 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000336420027 285316005 /nfs/dbraw/zinc/31/60/05/285316005.db2.gz PZCJSMHYQMQEQX-DLBZAZTESA-N 2 0 292.467 2.677 20 0 CFADRP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CSC1)N(C)C ZINC000682409342 542550333 /nfs/dbraw/zinc/55/03/33/542550333.db2.gz OAJMMNWEHBEEGJ-IUODEOHRSA-N 2 0 264.438 2.691 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000682497681 542559943 /nfs/dbraw/zinc/55/99/43/542559943.db2.gz FUMIFLQEWYNCAN-LBPRGKRZSA-N 2 0 282.378 2.827 20 0 CFADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020200458 542571106 /nfs/dbraw/zinc/57/11/06/542571106.db2.gz RHINIAINRVMYAB-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP COc1cccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)n1 ZINC001243099590 781987341 /nfs/dbraw/zinc/98/73/41/781987341.db2.gz HXZROPOKUUDXAI-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP [NH3+][C@H]1CCCC[C@@H]1OCc1ccc(C2=CC[NH2+]C2)cc1F ZINC001243111903 781993576 /nfs/dbraw/zinc/99/35/76/781993576.db2.gz VNDDNUSDZFHAPJ-IRXDYDNUSA-N 2 0 290.382 2.599 20 0 CFADRP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCC[NH3+] ZINC000133228740 413043698 /nfs/dbraw/zinc/04/36/98/413043698.db2.gz LCYPPIHYKOSTFK-JTQLQIEISA-N 2 0 271.202 2.791 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000134093217 413046348 /nfs/dbraw/zinc/04/63/48/413046348.db2.gz GZGWCSWWUJAFGO-CJNGLKHVSA-N 2 0 269.392 2.794 20 0 CFADRP c1[nH]c2ccc(C3=CC[NH2+]C3)cc2c1CC[NH+]1CCCC1 ZINC001243110302 781993627 /nfs/dbraw/zinc/99/36/27/781993627.db2.gz FPWHQAYCTYBZHQ-UHFFFAOYSA-N 2 0 281.403 2.793 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCC[C@@H]1C ZINC000422730605 285373281 /nfs/dbraw/zinc/37/32/81/285373281.db2.gz MHQGLJSKHBZHDJ-KKUMJFAQSA-N 2 0 256.434 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C(C)C)CC1 ZINC000423056895 285373975 /nfs/dbraw/zinc/37/39/75/285373975.db2.gz YZSVTNNJCBAQEG-PMPSAXMXSA-N 2 0 270.461 2.935 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488719 285394011 /nfs/dbraw/zinc/39/40/11/285394011.db2.gz VOMJVEOSNUTTIK-XJKSGUPXSA-N 2 0 274.408 2.891 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2ccnc2)cc1 ZINC000422755466 533341054 /nfs/dbraw/zinc/34/10/54/533341054.db2.gz HXJHXYUGDIGZPV-KTFSGNIMSA-N 2 0 296.418 2.806 20 0 CFADRP COc1ccc2oc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2c1 ZINC000414842034 533356090 /nfs/dbraw/zinc/35/60/90/533356090.db2.gz OSNJGZPUVJDEOP-CYBMUJFWSA-N 2 0 288.391 2.921 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422948530 533365283 /nfs/dbraw/zinc/36/52/83/533365283.db2.gz SDMXQCLRXOYSNZ-CZUORRHYSA-N 2 0 276.424 2.690 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422865606 533366620 /nfs/dbraw/zinc/36/66/20/533366620.db2.gz YTJNFZJCGJKTDG-QWHCGFSZSA-N 2 0 294.439 2.697 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccncc1Cl ZINC000421826585 533367067 /nfs/dbraw/zinc/36/70/67/533367067.db2.gz TWJGWRVGFAZCKG-LLVKDONJSA-N 2 0 267.804 2.727 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnccc1N ZINC000422874191 533377499 /nfs/dbraw/zinc/37/74/99/533377499.db2.gz CGCGOXUUEDTGKL-LSDHHAIUSA-N 2 0 290.455 2.657 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423194848 533379190 /nfs/dbraw/zinc/37/91/90/533379190.db2.gz RWXNPBOHABMRHR-KXUCPTDWSA-N 2 0 258.818 2.832 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)c(F)c1 ZINC000423180515 533379935 /nfs/dbraw/zinc/37/99/35/533379935.db2.gz FAZNFOBMSZSGHL-MRVPVSSYSA-N 2 0 275.165 2.588 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414855369 533447872 /nfs/dbraw/zinc/44/78/72/533447872.db2.gz MYVVXSJRBJFMBK-OCCSQVGLSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422839324 533420257 /nfs/dbraw/zinc/42/02/57/533420257.db2.gz ZVXQOYDWPMLBDV-SOLBZPMBSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCC(F)(F)CC1 ZINC000425932193 533425845 /nfs/dbraw/zinc/42/58/45/533425845.db2.gz OZDKDGLMBMVQQN-NWDGAFQWSA-N 2 0 262.388 2.988 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000423120478 533436557 /nfs/dbraw/zinc/43/65/57/533436557.db2.gz GVTYHCKJSKXXIL-WMLDXEAASA-N 2 0 288.435 2.834 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000414165889 533464512 /nfs/dbraw/zinc/46/45/12/533464512.db2.gz QILAVVXCHTVNMY-FMKPAKJESA-N 2 0 291.439 2.546 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422728961 533474389 /nfs/dbraw/zinc/47/43/89/533474389.db2.gz BCUUYJODGIIWCP-NVXWUHKLSA-N 2 0 276.424 2.735 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000122887160 533501573 /nfs/dbraw/zinc/50/15/73/533501573.db2.gz WTGOIICPGPVHHS-LRDDRELGSA-N 2 0 296.842 2.821 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])c(Cl)c1 ZINC000422890812 533502144 /nfs/dbraw/zinc/50/21/44/533502144.db2.gz SZDQILORWQVEPK-WFASDCNBSA-N 2 0 282.815 2.608 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422758759 533502120 /nfs/dbraw/zinc/50/21/20/533502120.db2.gz KRAOQGQOPMFXEF-ZMSDIMECSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422763701 533503019 /nfs/dbraw/zinc/50/30/19/533503019.db2.gz UMCMEXUZVPYDEV-OUCADQQQSA-N 2 0 250.361 2.864 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414840822 533506754 /nfs/dbraw/zinc/50/67/54/533506754.db2.gz NNNTZHNKWCAVMW-WBVHZDCISA-N 2 0 290.451 2.996 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414805470 533507452 /nfs/dbraw/zinc/50/74/52/533507452.db2.gz YOCSECPAKJPZJA-CJNGLKHVSA-N 2 0 264.413 2.589 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414917711 533508437 /nfs/dbraw/zinc/50/84/37/533508437.db2.gz QXUPKZPSUFBUBV-GDBMZVCRSA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000414803978 533539482 /nfs/dbraw/zinc/53/94/82/533539482.db2.gz DLKQXFFJEXSIKO-ZIAGYGMSSA-N 2 0 299.418 2.831 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)n1 ZINC000414858209 533546930 /nfs/dbraw/zinc/54/69/30/533546930.db2.gz IDMZEECEQGERTC-AWEZNQCLSA-N 2 0 291.439 2.663 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415016148 533599957 /nfs/dbraw/zinc/59/99/57/533599957.db2.gz ZUIIIXBPPSXEGI-SYAUCNOPSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422737094 533553729 /nfs/dbraw/zinc/55/37/29/533553729.db2.gz HKRKXJHENUEIIU-NSHDSACASA-N 2 0 269.458 2.700 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165943 533568013 /nfs/dbraw/zinc/56/80/13/533568013.db2.gz BWKQDXONFZAUSD-JTUUTPGSSA-N 2 0 273.424 2.665 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423216352 533608762 /nfs/dbraw/zinc/60/87/62/533608762.db2.gz RTWSWEWDWHERNS-KGLIPLIRSA-N 2 0 292.423 2.662 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423216354 533609135 /nfs/dbraw/zinc/60/91/35/533609135.db2.gz RTWSWEWDWHERNS-ZIAGYGMSSA-N 2 0 292.423 2.662 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000425932016 533611636 /nfs/dbraw/zinc/61/16/36/533611636.db2.gz OFNZIQHGIYZVJT-OCCSQVGLSA-N 2 0 294.439 2.861 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000423216351 533611755 /nfs/dbraw/zinc/61/17/55/533611755.db2.gz RTWSWEWDWHERNS-KBPBESRZSA-N 2 0 292.423 2.662 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423124923 533641810 /nfs/dbraw/zinc/64/18/10/533641810.db2.gz MZCVBPUDEPQVQF-ZOBUZTSGSA-N 2 0 276.424 2.712 20 0 CFADRP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1C[NH2+]C1 ZINC000423304707 533654762 /nfs/dbraw/zinc/65/47/62/533654762.db2.gz OWFLFPFQCXFXCV-VIFPVBQESA-N 2 0 258.818 2.532 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423325081 533656964 /nfs/dbraw/zinc/65/69/64/533656964.db2.gz PYZJJTRCOCOROI-BONVTDFDSA-N 2 0 268.351 2.613 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000414828772 533667926 /nfs/dbraw/zinc/66/79/26/533667926.db2.gz MSLQRBUZXUCSJQ-CQSZACIVSA-N 2 0 284.403 2.938 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)c2ccccc12 ZINC000414788643 533669891 /nfs/dbraw/zinc/66/98/91/533669891.db2.gz DROPLEDBLBSIRZ-INIZCTEOSA-N 2 0 272.392 2.921 20 0 CFADRP C[C@H](O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682756640 542587423 /nfs/dbraw/zinc/58/74/23/542587423.db2.gz VAIHSQGKPXFXDM-INIZCTEOSA-N 2 0 282.472 2.735 20 0 CFADRP CC(C)(C)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000341870783 130098747 /nfs/dbraw/zinc/09/87/47/130098747.db2.gz CLMMEDFJDQRWMQ-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000341876358 130103085 /nfs/dbraw/zinc/10/30/85/130103085.db2.gz JKMXSNIYWBBNDJ-UHFFFAOYSA-N 2 0 284.391 2.746 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccccc2-c2cnn(C)c2)CC1 ZINC000341882039 130107588 /nfs/dbraw/zinc/10/75/88/130107588.db2.gz ZUUSCBXKFSNIPQ-UHFFFAOYSA-N 2 0 298.434 2.661 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000341986760 130210512 /nfs/dbraw/zinc/21/05/12/130210512.db2.gz FOAPELQBUMIJGH-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191643440 130269641 /nfs/dbraw/zinc/26/96/41/130269641.db2.gz HLXOCVGKINBGEO-KKUMJFAQSA-N 2 0 294.439 2.701 20 0 CFADRP CCc1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342090846 130304619 /nfs/dbraw/zinc/30/46/19/130304619.db2.gz CADNUUGTGSALJY-CGTJXYLNSA-N 2 0 288.435 2.687 20 0 CFADRP COCC1([N@H+](C)Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000683019003 542629430 /nfs/dbraw/zinc/62/94/30/542629430.db2.gz KHAJQRIUCZWSRS-UHFFFAOYSA-N 2 0 285.391 2.792 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CCN2CC=CCC2)c(F)c1 ZINC000355539770 130312405 /nfs/dbraw/zinc/31/24/05/130312405.db2.gz XPKSBBICUCXVQM-SNAWJCMRSA-N 2 0 278.346 2.830 20 0 CFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1F ZINC000355578215 130316171 /nfs/dbraw/zinc/31/61/71/130316171.db2.gz MONWHAHYUVXTCF-UHFFFAOYSA-N 2 0 295.446 2.531 20 0 CFADRP FC(F)[C@@H]1C[C@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000342185258 130320616 /nfs/dbraw/zinc/32/06/16/130320616.db2.gz CFGJWLMFFAWDDM-GHMZBOCLSA-N 2 0 269.320 2.677 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423253535 285460150 /nfs/dbraw/zinc/46/01/50/285460150.db2.gz WBQDAXQWYGYZSJ-DGCLKSJQSA-N 2 0 250.411 2.715 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237051445 131000547 /nfs/dbraw/zinc/00/05/47/131000547.db2.gz XUCZPDXHXLLULZ-GJZGRUSLSA-N 2 0 289.423 2.513 20 0 CFADRP C[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000237319546 131023925 /nfs/dbraw/zinc/02/39/25/131023925.db2.gz SZYOXFPTQUHQAV-CYBMUJFWSA-N 2 0 289.423 2.737 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccsc2)C[C@H](C)O1 ZINC000237669288 131051699 /nfs/dbraw/zinc/05/16/99/131051699.db2.gz IXCZBTRVZHBWHD-KBPBESRZSA-N 2 0 282.453 2.727 20 0 CFADRP Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)s1 ZINC000245601948 131088333 /nfs/dbraw/zinc/08/83/33/131088333.db2.gz JELOVKTVGDAWAO-FZMZJTMJSA-N 2 0 276.409 2.731 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248451504 131115599 /nfs/dbraw/zinc/11/55/99/131115599.db2.gz PNDBYFZUTZGTFQ-QAPCUYQASA-N 2 0 290.451 2.779 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccccc2)C1 ZINC000252439580 131134559 /nfs/dbraw/zinc/13/45/59/131134559.db2.gz QFZQMUVPTPAIAY-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP Fc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000252673466 131136422 /nfs/dbraw/zinc/13/64/22/131136422.db2.gz JNBRMBMASOMZEE-STQMWFEESA-N 2 0 266.335 2.681 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252698691 131137136 /nfs/dbraw/zinc/13/71/36/131137136.db2.gz OPTBUCUPRWPEBZ-BMFZPTHFSA-N 2 0 274.408 2.540 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c(C[NH+](C)C)c1 ZINC000261708615 131163884 /nfs/dbraw/zinc/16/38/84/131163884.db2.gz JAYXREFMZYSKNZ-DZGCQCFKSA-N 2 0 289.423 2.513 20 0 CFADRP c1ccc(N2CC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000683694514 542712266 /nfs/dbraw/zinc/71/22/66/542712266.db2.gz WSHSRXPHKPYZMZ-QGZVFWFLSA-N 2 0 299.462 2.729 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccccc1F ZINC000268736031 132058504 /nfs/dbraw/zinc/05/85/04/132058504.db2.gz PXNDPLMOEXLJAB-VNHYZAJKSA-N 2 0 280.387 2.523 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000268757573 132062213 /nfs/dbraw/zinc/06/22/13/132062213.db2.gz MCUIHKKPOAFUGW-GJZGRUSLSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000268837986 132075016 /nfs/dbraw/zinc/07/50/16/132075016.db2.gz DTXCGFWDIGQVPZ-JZXOWHBKSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc2c(c1)COC2 ZINC000268981991 132095034 /nfs/dbraw/zinc/09/50/34/132095034.db2.gz DAVCMCXGPFKMGG-VBHSOAQHSA-N 2 0 286.419 2.850 20 0 CFADRP CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164887004 542738968 /nfs/dbraw/zinc/73/89/68/542738968.db2.gz LBPFGVAPFOIROJ-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926259 542744715 /nfs/dbraw/zinc/74/47/15/542744715.db2.gz DHYSWCCNUKSZTO-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000192477453 413058406 /nfs/dbraw/zinc/05/84/06/413058406.db2.gz NQOIPHUKJWSYBQ-LUKYLMHMSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC1=CCCC1 ZINC000372976150 393459390 /nfs/dbraw/zinc/45/93/90/393459390.db2.gz PRWZGTCZBIMADF-KBAYOESNSA-N 2 0 292.467 2.966 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000179597370 393469103 /nfs/dbraw/zinc/46/91/03/393469103.db2.gz OUKMAQRSQYKCIZ-PBHICJAKSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(O)CCC3)CC2)C1 ZINC000305121541 393500659 /nfs/dbraw/zinc/50/06/59/393500659.db2.gz JROKMLSZQKKVQP-HOCLYGCPSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000376122314 393514724 /nfs/dbraw/zinc/51/47/24/393514724.db2.gz HGHYYWRPMDXOKS-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCCC34CCOCC4)CC[N@@H+]2C1 ZINC000376586252 393522905 /nfs/dbraw/zinc/52/29/05/393522905.db2.gz KJOPWFGLKFDXPV-OAGGEKHMSA-N 2 0 278.440 2.552 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000036300784 393524215 /nfs/dbraw/zinc/52/42/15/393524215.db2.gz CYWGRESJSLVLSG-UHFFFAOYSA-N 2 0 276.424 2.756 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccs1 ZINC000036907880 393525744 /nfs/dbraw/zinc/52/57/44/393525744.db2.gz NEGBLIYDNFDWBI-MBNYWOFBSA-N 2 0 252.427 2.609 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000036908008 393525806 /nfs/dbraw/zinc/52/58/06/393525806.db2.gz WBYIIEYMNTXENR-PMPSAXMXSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)nc1C ZINC000313956416 393526130 /nfs/dbraw/zinc/52/61/30/393526130.db2.gz QMPLPSYWXATAFC-UHFFFAOYSA-N 2 0 296.418 2.852 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000380896776 393558875 /nfs/dbraw/zinc/55/88/75/393558875.db2.gz LXURXQXEAMXTMA-BTFPBAQTSA-N 2 0 268.470 2.781 20 0 CFADRP CC(C)(C[C@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1)C(N)=O ZINC000333858340 393572036 /nfs/dbraw/zinc/57/20/36/393572036.db2.gz RMCHDHGVFAXMDY-ZIAGYGMSSA-N 2 0 281.444 2.792 20 0 CFADRP COC[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000075685582 393677505 /nfs/dbraw/zinc/67/75/05/393677505.db2.gz OSXRVHSSIIXYHG-MRXNPFEDSA-N 2 0 290.451 2.865 20 0 CFADRP Brc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000335553098 393677915 /nfs/dbraw/zinc/67/79/15/393677915.db2.gz UXVKUGYNBXFCFG-AWEZNQCLSA-N 2 0 295.224 2.636 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC000049686688 393614131 /nfs/dbraw/zinc/61/41/31/393614131.db2.gz RJFUFGROJDGYJO-CYBMUJFWSA-N 2 0 252.427 2.796 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000405034322 393622905 /nfs/dbraw/zinc/62/29/05/393622905.db2.gz WJBFVUXATIIHFR-RYQLBKOJSA-N 2 0 287.451 2.833 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000334865370 393625909 /nfs/dbraw/zinc/62/59/09/393625909.db2.gz TXRANHSIEKGOBJ-WWDZGPRUSA-N 3 0 293.499 2.761 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CCN(C3CCCC3)C1)CC2 ZINC000335035814 393636233 /nfs/dbraw/zinc/63/62/33/393636233.db2.gz ZXMMSGKFKFNDGH-DLBZAZTESA-N 2 0 299.462 2.936 20 0 CFADRP C[C@H]1CCC[C@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193606797 393656792 /nfs/dbraw/zinc/65/67/92/393656792.db2.gz HBCNUOLSUJEQLB-XUWVNRHRSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000336440356 393735693 /nfs/dbraw/zinc/73/56/93/393735693.db2.gz FHUXMDLTRQZJOY-DGCLKSJQSA-N 2 0 260.372 2.884 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)nn1C ZINC000337395724 393761751 /nfs/dbraw/zinc/76/17/51/393761751.db2.gz NFTXUSJGQBWFAB-MRXNPFEDSA-N 2 0 292.471 2.891 20 0 CFADRP CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](C)O ZINC000411718565 393741587 /nfs/dbraw/zinc/74/15/87/393741587.db2.gz LPLDHDOFVHRLJZ-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000084132311 393746265 /nfs/dbraw/zinc/74/62/65/393746265.db2.gz USPPQZDDNQNMRV-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSC(C)C)C[C@@H]1C ZINC000336706040 393747741 /nfs/dbraw/zinc/74/77/41/393747741.db2.gz MWKORYGFXDCHRS-KBPBESRZSA-N 2 0 258.475 2.933 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2ccncn2)CC1 ZINC000411823938 393752246 /nfs/dbraw/zinc/75/22/46/393752246.db2.gz DXOMGOWKLMUNAL-INIZCTEOSA-N 2 0 288.439 2.530 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C12CCCC2 ZINC000085680782 393753426 /nfs/dbraw/zinc/75/34/26/393753426.db2.gz CWJHJHVKEDYOQV-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000335634178 393686203 /nfs/dbraw/zinc/68/62/03/393686203.db2.gz MYEDKVLWJQTMSA-UONOGXRCSA-N 2 0 280.362 2.786 20 0 CFADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCOC1 ZINC000411273077 393691910 /nfs/dbraw/zinc/69/19/10/393691910.db2.gz INXHCBDWVJWCIM-SFHVURJKSA-N 2 0 288.435 2.893 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000335906291 393706638 /nfs/dbraw/zinc/70/66/38/393706638.db2.gz NXKKSMZUHVIHQI-HNNXBMFYSA-N 2 0 272.436 2.818 20 0 CFADRP C[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411414445 393711389 /nfs/dbraw/zinc/71/13/89/393711389.db2.gz BITGFRUNQXBYFY-YJBOKZPZSA-N 2 0 288.435 2.628 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337394311 393760446 /nfs/dbraw/zinc/76/04/46/393760446.db2.gz IJTIIXQWBJTVGR-AGIUHOORSA-N 2 0 276.371 2.611 20 0 CFADRP C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411525704 393722042 /nfs/dbraw/zinc/72/20/42/393722042.db2.gz CLRZLASKOFYPEU-JKSUJKDBSA-N 2 0 290.451 2.779 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424334481 393833698 /nfs/dbraw/zinc/83/36/98/393833698.db2.gz VQQJSGAYYIWRIL-BZZMCLGOSA-N 2 0 294.483 2.902 20 0 CFADRP Fc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435090 393770819 /nfs/dbraw/zinc/77/08/19/393770819.db2.gz UUYJRTZORAJYOF-CQSZACIVSA-N 2 0 262.372 2.790 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000090461464 393777779 /nfs/dbraw/zinc/77/77/79/393777779.db2.gz WNMJAKPSSADVFB-XUWVNRHRSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229644769 393777670 /nfs/dbraw/zinc/77/76/70/393777670.db2.gz OKMNLXFLZIXRLT-CQSZACIVSA-N 2 0 257.381 2.599 20 0 CFADRP CCC[N@H+](CCC[NH+](CC)CC)C[C@H]1CCCCO1 ZINC000338281517 393778665 /nfs/dbraw/zinc/77/86/65/393778665.db2.gz FCDNQGABDAZROP-MRXNPFEDSA-N 2 0 270.461 2.999 20 0 CFADRP [NH3+][C@@H]1CCCCCC[C@@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424341334 393836553 /nfs/dbraw/zinc/83/65/53/393836553.db2.gz UYRMOZPOZLJDRL-QWHCGFSZSA-N 2 0 292.427 2.953 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000092836942 393793390 /nfs/dbraw/zinc/79/33/90/393793390.db2.gz RAHCTMFJNVENQV-SUMWQHHRSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2cccnc2)CN1C1CC1 ZINC000414344772 393800461 /nfs/dbraw/zinc/80/04/61/393800461.db2.gz ZSXHPEOLKVUOAG-HIFRSBDPSA-N 2 0 273.424 2.574 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000424237421 393803152 /nfs/dbraw/zinc/80/31/52/393803152.db2.gz KGBRDTMKRDSUMR-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP CN1CC[C@H]([NH2+]CCCn2cccn2)C[C@H]1c1ccccc1 ZINC000340174274 393837533 /nfs/dbraw/zinc/83/75/33/393837533.db2.gz NXULTTYYAOLXMH-ROUUACIJSA-N 2 0 298.434 2.698 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414715054 393803832 /nfs/dbraw/zinc/80/38/32/393803832.db2.gz XBWNZWKWMGUPEL-SJLPKXTDSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])CC3 ZINC000415008369 393810237 /nfs/dbraw/zinc/81/02/37/393810237.db2.gz DVMUXJIRSFLXHD-FRRDWIJNSA-N 2 0 271.408 2.659 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000415035588 393810246 /nfs/dbraw/zinc/81/02/46/393810246.db2.gz KXBJJWGVSOCGCZ-AHCXZYCDSA-N 2 0 287.451 2.539 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000415118307 393811898 /nfs/dbraw/zinc/81/18/98/393811898.db2.gz WJVICSLFKVXOMI-WWDZGPRUSA-N 3 0 293.499 2.619 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415085232 393812651 /nfs/dbraw/zinc/81/26/51/393812651.db2.gz SDPAHPSGHQURDS-HOTGVXAUSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc21 ZINC000339072203 393815033 /nfs/dbraw/zinc/81/50/33/393815033.db2.gz UIPXUACHGGNGFQ-BPQIPLTHSA-N 2 0 299.462 2.654 20 0 CFADRP COc1ccc(CC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424295851 393816649 /nfs/dbraw/zinc/81/66/49/393816649.db2.gz RKAGRPJNRLZKEA-OAHLLOKOSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340210448 393838771 /nfs/dbraw/zinc/83/87/71/393838771.db2.gz QTRZMDULXHXHOG-NJAFHUGGSA-N 3 0 289.467 2.752 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(CC)CC ZINC000245937250 393838987 /nfs/dbraw/zinc/83/89/87/393838987.db2.gz UDPDMABIRQMRRX-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCC([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)CC1 ZINC000424326101 393829930 /nfs/dbraw/zinc/82/99/30/393829930.db2.gz NFWYEHYGOLVRDE-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000424330986 393831486 /nfs/dbraw/zinc/83/14/86/393831486.db2.gz SMBLOBCWEIYSSB-UONOGXRCSA-N 2 0 298.471 2.817 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000246471771 393870160 /nfs/dbraw/zinc/87/01/60/393870160.db2.gz QOFJCIIYIZCLSD-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CC[NH+](C3CC3)CC2)C1 ZINC000459384183 393882797 /nfs/dbraw/zinc/88/27/97/393882797.db2.gz YOYOMTZVQARTBM-IYBDPMFKSA-N 2 0 293.499 2.571 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C12CCCC2 ZINC000246791199 393885052 /nfs/dbraw/zinc/88/50/52/393885052.db2.gz CWJHJHVKEDYOQV-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000246813283 393885390 /nfs/dbraw/zinc/88/53/90/393885390.db2.gz ATMPKEVTDHELAH-JZAWBGDQSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOC1CCCCC1 ZINC000111635986 393887142 /nfs/dbraw/zinc/88/71/42/393887142.db2.gz HHUFOHBCJAPJBG-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000246866110 393888273 /nfs/dbraw/zinc/88/82/73/393888273.db2.gz CSTLHRAJQGJNCI-KLHDSHLOSA-N 2 0 270.461 2.756 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000344128953 393895714 /nfs/dbraw/zinc/89/57/14/393895714.db2.gz JVORGDNKGHCLPH-DRANZPFZSA-N 2 0 280.456 2.510 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000344311828 393898738 /nfs/dbraw/zinc/89/87/38/393898738.db2.gz XRUHLQSFZCDJEP-RISCZKNCSA-N 2 0 297.240 2.531 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000245957981 393841199 /nfs/dbraw/zinc/84/11/99/393841199.db2.gz XPSCPSRPRGTRPL-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424386343 393842950 /nfs/dbraw/zinc/84/29/50/393842950.db2.gz XJDOVNVWLXGPJS-QCSYZSNVSA-N 2 0 272.436 2.971 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000246112376 393847697 /nfs/dbraw/zinc/84/76/97/393847697.db2.gz JUVVEXLDMLWGDI-LZLYRXPVSA-N 2 0 295.515 2.817 20 0 CFADRP CC1=CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684800110 542855224 /nfs/dbraw/zinc/85/52/24/542855224.db2.gz FBMXYEJQIJIUDG-UHFFFAOYSA-N 2 0 274.408 2.779 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCOc3ccccc3)C2)C1 ZINC000429003650 393932621 /nfs/dbraw/zinc/93/26/21/393932621.db2.gz DALQGJAKJIQIIM-SFHVURJKSA-N 2 0 288.435 2.873 20 0 CFADRP C([C@@H]1CCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000346819574 393933829 /nfs/dbraw/zinc/93/38/29/393933829.db2.gz HODLQCCZKZNOOM-QZTJIDSGSA-N 2 0 293.499 2.574 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000429022026 393935073 /nfs/dbraw/zinc/93/50/73/393935073.db2.gz RBPIECLDDHGQCB-OKZBNKHCSA-N 2 0 270.420 2.818 20 0 CFADRP CCC[N@H+](C[C@H](C)CC1CCOCC1)C1CC[NH2+]CC1 ZINC000347151328 393937415 /nfs/dbraw/zinc/93/74/15/393937415.db2.gz ARBJUFJYMVUYMO-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000474725018 393945192 /nfs/dbraw/zinc/94/51/92/393945192.db2.gz DFSVAMUDPYHGIG-KZNAEPCWSA-N 2 0 296.499 2.884 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCOC(C)C)CC1 ZINC000119607767 393921405 /nfs/dbraw/zinc/92/14/05/393921405.db2.gz ZPAGMBPJDJMKLE-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCCO1 ZINC000429687538 393953765 /nfs/dbraw/zinc/95/37/65/393953765.db2.gz XPOVNHUFHJJOQT-IAGOWNOFSA-N 2 0 276.424 2.666 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000480748611 393966955 /nfs/dbraw/zinc/96/69/55/393966955.db2.gz XSSXWYIGMQPSPY-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cn2c(n1)[C@H](C[NH2+]Cc1ncc(Cl)s1)CCC2 ZINC000349613491 393971377 /nfs/dbraw/zinc/97/13/77/393971377.db2.gz RRZWFDNQPFOHPC-JTQLQIEISA-N 2 0 296.827 2.969 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000486981175 393977754 /nfs/dbraw/zinc/97/77/54/393977754.db2.gz QYIQTCUCKFKUBE-PLNGDYQASA-N 2 0 273.424 2.949 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CC1(C)C ZINC000487190351 393988522 /nfs/dbraw/zinc/98/85/22/393988522.db2.gz UPCUONIQPXOGPX-WFASDCNBSA-N 2 0 250.430 2.885 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430535427 393990985 /nfs/dbraw/zinc/99/09/85/393990985.db2.gz AMHDNSHDDDQJBM-GDBMZVCRSA-N 2 0 276.424 2.687 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430573524 393994470 /nfs/dbraw/zinc/99/44/70/393994470.db2.gz RLVWTCPSQYLTHG-JKSUJKDBSA-N 2 0 276.424 2.823 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000487281926 393994481 /nfs/dbraw/zinc/99/44/81/393994481.db2.gz TZQCWYHJOHJBHO-CHWSQXEVSA-N 2 0 258.475 2.696 20 0 CFADRP COc1cccc(CCC[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430569507 393994991 /nfs/dbraw/zinc/99/49/91/393994991.db2.gz IXWSRUPLDIERQG-QGZVFWFLSA-N 2 0 278.440 2.933 20 0 CFADRP C[N@H+](CCC[NH2+]CC1=CCCOC1)C1CCCCC1 ZINC000126329973 394025653 /nfs/dbraw/zinc/02/56/53/394025653.db2.gz HFJNJSRAINVDFX-UHFFFAOYSA-N 2 0 266.429 2.577 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000430575842 393995766 /nfs/dbraw/zinc/99/57/66/393995766.db2.gz ANZVLVNWAISBAK-CABCVRRESA-N 2 0 268.445 2.785 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000430611514 393999279 /nfs/dbraw/zinc/99/92/79/393999279.db2.gz OFPVNYATAGUCIB-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)OCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272387125 394027711 /nfs/dbraw/zinc/02/77/11/394027711.db2.gz CIBBZYSWXVQBMS-SJLPKXTDSA-N 2 0 290.451 2.912 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000417821462 394004330 /nfs/dbraw/zinc/00/43/30/394004330.db2.gz ZAXWYKKIWILCGG-OAHLLOKOSA-N 2 0 289.423 2.513 20 0 CFADRP OC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000487491553 394005603 /nfs/dbraw/zinc/00/56/03/394005603.db2.gz LSJUPMOAZPJCEI-QGZVFWFLSA-N 2 0 294.483 2.880 20 0 CFADRP C[C@@H](CC[NH2+]C[C@H]1CCSC1)[NH+]1CCCCC1 ZINC000487535544 394009140 /nfs/dbraw/zinc/00/91/40/394009140.db2.gz HXQMOCYFCCGDEL-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1scnc1C1CC1 ZINC000352526533 394015520 /nfs/dbraw/zinc/01/55/20/394015520.db2.gz OPYRTHISAQUGAK-LBPRGKRZSA-N 2 0 265.426 2.724 20 0 CFADRP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000274765416 394043767 /nfs/dbraw/zinc/04/37/67/394043767.db2.gz LCPFWEWBEHQZHX-SFHVURJKSA-N 2 0 297.402 2.569 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127328501 394047625 /nfs/dbraw/zinc/04/76/25/394047625.db2.gz QNUCYMDFJKOKHM-FPCVCCKLSA-N 2 0 280.456 2.797 20 0 CFADRP COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000130068569 394101058 /nfs/dbraw/zinc/10/10/58/394101058.db2.gz RBFPBBQROWNPPJ-HZSPNIEDSA-N 2 0 292.423 2.837 20 0 CFADRP Cc1cc(NCCCC[NH3+])c2cc(OC(F)F)ccc2[nH+]1 ZINC000420232032 394101259 /nfs/dbraw/zinc/10/12/59/394101259.db2.gz LCCCBCBEAIXWTP-UHFFFAOYSA-N 2 0 295.333 2.717 20 0 CFADRP CC1CCC(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000355229236 394061113 /nfs/dbraw/zinc/06/11/13/394061113.db2.gz YSOIMQBCOJXNGF-NUUXYWTLSA-N 2 0 294.483 2.996 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128353719 394068249 /nfs/dbraw/zinc/06/82/49/394068249.db2.gz UCWLXZUOPPRXEW-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000130139898 394103315 /nfs/dbraw/zinc/10/33/15/394103315.db2.gz MYVQTWNRXLIVIC-NWANDNLSSA-N 2 0 288.391 2.693 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000358319765 394103404 /nfs/dbraw/zinc/10/34/04/394103404.db2.gz ONGZSXQORSRDAY-JCGIZDLHSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437781117 394074416 /nfs/dbraw/zinc/07/44/16/394074416.db2.gz FGIXJMOSFVYBRY-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356831882 394080877 /nfs/dbraw/zinc/08/08/77/394080877.db2.gz BGBJEEMPKAUKDX-QZTJIDSGSA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000356992615 394083014 /nfs/dbraw/zinc/08/30/14/394083014.db2.gz NDZWFYWFFHHPEX-RCCFBDPRSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353537142 394032358 /nfs/dbraw/zinc/03/23/58/394032358.db2.gz ZNMOQIFOFUVYHE-XDNAFOTISA-N 2 0 293.499 2.713 20 0 CFADRP C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000130034345 394100020 /nfs/dbraw/zinc/10/00/20/394100020.db2.gz NOMDCDUAQQCGAR-OAHLLOKOSA-N 2 0 298.471 2.915 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353587812 394033395 /nfs/dbraw/zinc/03/33/95/394033395.db2.gz IZDUIZHVNQOHGV-YIDVYQOGSA-N 2 0 250.430 2.885 20 0 CFADRP CSC1(C[NH2+][C@H](C)C2CCCC2)CC[NH+](C)CC1 ZINC000353652464 394034434 /nfs/dbraw/zinc/03/44/34/394034434.db2.gz XCBFTQDNHMLPCD-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(C)C)OC)[C@H](C)C1 ZINC000419222585 394034668 /nfs/dbraw/zinc/03/46/68/394034668.db2.gz KUILXGRPIYCJAV-OAGGEKHMSA-N 2 0 270.461 2.710 20 0 CFADRP Cc1nc2c(n1Cc1cn3ccccc3n1)CCCC2 ZINC000130510376 394112862 /nfs/dbraw/zinc/11/28/62/394112862.db2.gz RQSSESPVKWJYGE-UHFFFAOYSA-N 2 0 266.348 2.766 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000358835603 394113504 /nfs/dbraw/zinc/11/35/04/394113504.db2.gz USIUNBVCGPLZLX-DLBZAZTESA-N 2 0 298.471 2.583 20 0 CFADRP CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420381540 394118198 /nfs/dbraw/zinc/11/81/98/394118198.db2.gz XQFWDRANAXSSCH-LLVKDONJSA-N 2 0 280.416 2.664 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)[C@H](c2ccccc2)CO1 ZINC000359225896 394128007 /nfs/dbraw/zinc/12/80/07/394128007.db2.gz VCKUXQOHSQVVBA-QAPCUYQASA-N 2 0 288.435 2.838 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[C@H](C)C1 ZINC000362151501 394181164 /nfs/dbraw/zinc/18/11/64/394181164.db2.gz TUAXLECDOIREAU-HRCADAONSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)C1 ZINC000361045787 394164174 /nfs/dbraw/zinc/16/41/74/394164174.db2.gz YPMCPUIGOIRIOE-MPTYRVRUSA-N 2 0 276.424 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(COC)CCC2)C[C@@H]1C ZINC000361324047 394170426 /nfs/dbraw/zinc/17/04/26/394170426.db2.gz LGNSIDZRPPZNQC-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@H](C)[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000363791088 394200658 /nfs/dbraw/zinc/20/06/58/394200658.db2.gz RPUSIIGUQCQYKT-INIZCTEOSA-N 2 0 281.488 2.715 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)C1CCCC1 ZINC000449220559 394256042 /nfs/dbraw/zinc/25/60/42/394256042.db2.gz HWLJJPRCJGLYIA-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1F ZINC000422816421 394256288 /nfs/dbraw/zinc/25/62/88/394256288.db2.gz FDOCWLGMRZELHO-UMVBOHGHSA-N 2 0 280.387 2.700 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134936095 394206777 /nfs/dbraw/zinc/20/67/77/394206777.db2.gz NCTIWMQISCTKFJ-WBVHZDCISA-N 2 0 280.456 2.750 20 0 CFADRP CCCCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134940777 394207406 /nfs/dbraw/zinc/20/74/06/394207406.db2.gz DZQPAYIBIKNCEM-NVXWUHKLSA-N 2 0 280.456 2.752 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421378763 394209392 /nfs/dbraw/zinc/20/93/92/394209392.db2.gz WCGSCTMNHLXVME-SLTXQBBLSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367526797 394256517 /nfs/dbraw/zinc/25/65/17/394256517.db2.gz KNATUEVIAHUUKU-ULQDDVLXSA-N 2 0 292.398 2.667 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000449124300 394220775 /nfs/dbraw/zinc/22/07/75/394220775.db2.gz FZMLHNGKNONRFO-NJZAAPMLSA-N 2 0 275.396 2.552 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000449130662 394223309 /nfs/dbraw/zinc/22/33/09/394223309.db2.gz ZYRLVYRNVGAURH-BXUZGUMPSA-N 2 0 277.412 2.669 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422868111 394257415 /nfs/dbraw/zinc/25/74/15/394257415.db2.gz ULLIZBOEBWCAHB-MAUKXSAKSA-N 3 0 289.467 2.744 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000449133488 394224549 /nfs/dbraw/zinc/22/45/49/394224549.db2.gz DKVYPXUHOCULGQ-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367556372 394257651 /nfs/dbraw/zinc/25/76/51/394257651.db2.gz XVCYEXHVUWTHHK-XHSDSOJGSA-N 2 0 282.472 2.638 20 0 CFADRP CC1CC[NH+](CC(=O)Nc2ccccc2-n2ccnc2)CC1 ZINC000137440628 394239639 /nfs/dbraw/zinc/23/96/39/394239639.db2.gz XUGCZOOKPPSZIM-UHFFFAOYSA-N 2 0 298.390 2.543 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ncc(C)s2)CC1 ZINC000449174114 394241620 /nfs/dbraw/zinc/24/16/20/394241620.db2.gz YBGORTBHBUFZSY-UHFFFAOYSA-N 2 0 267.442 2.663 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1C[C@@H](C)O[C@H]1C)C(C)C ZINC000449181440 394244520 /nfs/dbraw/zinc/24/45/20/394244520.db2.gz HKWIJOYRBHJYRH-ILXRZTDVSA-N 2 0 256.434 2.651 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nnc2n1CCCCC2 ZINC000422911849 394259020 /nfs/dbraw/zinc/25/90/20/394259020.db2.gz UNOUOYHGCRGDJD-UONOGXRCSA-N 2 0 293.459 2.563 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CC2 ZINC000421852437 394246152 /nfs/dbraw/zinc/24/61/52/394246152.db2.gz IFSSLVRZKAVONB-KRWDZBQOSA-N 2 0 299.462 2.793 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422940810 394259173 /nfs/dbraw/zinc/25/91/73/394259173.db2.gz JCZKDMPXQIFGBO-WBVHZDCISA-N 2 0 276.424 2.906 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000449191614 394247764 /nfs/dbraw/zinc/24/77/64/394247764.db2.gz PSHKBDBJNVTZQD-BMFZPTHFSA-N 2 0 282.472 2.779 20 0 CFADRP COc1cc(C(C)[NH2+]C2CCC([NH+](C)C)CC2)c(F)cn1 ZINC000421872502 394248165 /nfs/dbraw/zinc/24/81/65/394248165.db2.gz GYACEFYWZLHGNE-HIFPTAJRSA-N 2 0 295.402 2.753 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422702838 394253294 /nfs/dbraw/zinc/25/32/94/394253294.db2.gz GBLBWDJFYGDMQW-HOTGVXAUSA-N 2 0 269.477 2.606 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422808797 394255303 /nfs/dbraw/zinc/25/53/03/394255303.db2.gz QWKVOLXWIAQZNH-ZOBUZTSGSA-N 2 0 275.440 2.539 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423033585 394261043 /nfs/dbraw/zinc/26/10/43/394261043.db2.gz ZIJYPKAJOVETCH-WUCCLRPBSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H](CSc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423005438 394261431 /nfs/dbraw/zinc/26/14/31/394261431.db2.gz SCJXATMCRMDLET-TZMCWYRMSA-N 2 0 264.438 2.755 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423050298 394261813 /nfs/dbraw/zinc/26/18/13/394261813.db2.gz YXAOIGCKUWCEED-COPLHBTASA-N 2 0 266.360 2.755 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423047370 394262023 /nfs/dbraw/zinc/26/20/23/394262023.db2.gz VBNOALJNEFOLDP-TUUVXOQKSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423069136 394262900 /nfs/dbraw/zinc/26/29/00/394262900.db2.gz DHYLXDSNYDWSOL-TVFCKZIOSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423074345 394264560 /nfs/dbraw/zinc/26/45/60/394264560.db2.gz URMIUHRNQYJTMV-GVDBMIGSSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC12CCCC2 ZINC000423077980 394265399 /nfs/dbraw/zinc/26/53/99/394265399.db2.gz UYJPQPHHHFUJDQ-IMJJTQAJSA-N 2 0 258.409 2.867 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423083613 394266529 /nfs/dbraw/zinc/26/65/29/394266529.db2.gz GDZOPIOOWDOCRE-BBWFWOEESA-N 2 0 287.451 2.841 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423082129 394266580 /nfs/dbraw/zinc/26/65/80/394266580.db2.gz CPRYASDUQMUPMB-PVAVHDDUSA-N 2 0 294.414 2.805 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423084593 394267730 /nfs/dbraw/zinc/26/77/30/394267730.db2.gz ILLBJCPHRXZBIA-VQHPVUNQSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1ccccc1F ZINC000423092669 394269128 /nfs/dbraw/zinc/26/91/28/394269128.db2.gz CWYIORRKZXHNQK-CYBMUJFWSA-N 2 0 252.377 2.865 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1C[NH2+]C1 ZINC000423092428 394269627 /nfs/dbraw/zinc/26/96/27/394269627.db2.gz BVKHHGJGFFHZQU-IXPVHAAZSA-N 2 0 264.800 2.784 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423099044 394270296 /nfs/dbraw/zinc/27/02/96/394270296.db2.gz ACDXHNAEVYZPIC-WDEREUQCSA-N 2 0 264.335 2.969 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423102163 394270599 /nfs/dbraw/zinc/27/05/99/394270599.db2.gz ODPXOAOSKFGPIQ-HOTGVXAUSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2F)C1)C1C[NH2+]C1 ZINC000423093558 394270619 /nfs/dbraw/zinc/27/06/19/394270619.db2.gz HYZZFPRFZAKEQP-OBJOEFQTSA-N 2 0 262.372 2.659 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423146386 394272162 /nfs/dbraw/zinc/27/21/62/394272162.db2.gz ALPAFQUSKQEIDT-YQYZPQCESA-N 2 0 286.419 2.878 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](O)C(C)C ZINC000423195712 394272790 /nfs/dbraw/zinc/27/27/90/394272790.db2.gz YCWANKMEQVYBQL-CAOSSQGBSA-N 2 0 262.397 2.516 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423176890 394272911 /nfs/dbraw/zinc/27/29/11/394272911.db2.gz GMOZDKUPYFGUGZ-GVDBMIGSSA-N 2 0 287.451 2.870 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423287102 394276227 /nfs/dbraw/zinc/27/62/27/394276227.db2.gz KHNAWXAVDUFESG-AWEZNQCLSA-N 2 0 266.816 2.988 20 0 CFADRP COc1ccc(CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152376372 394276760 /nfs/dbraw/zinc/27/67/60/394276760.db2.gz OLGFKMLCCLJKBP-INIZCTEOSA-N 2 0 276.424 2.511 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423366009 394278487 /nfs/dbraw/zinc/27/84/87/394278487.db2.gz LCRVOVKCRWMKKL-SUNKGSAMSA-N 2 0 278.371 2.681 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423363774 394278704 /nfs/dbraw/zinc/27/87/04/394278704.db2.gz AKIMNPPAUBXUJI-PEYYIBSZSA-N 2 0 275.396 2.566 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423359559 394278968 /nfs/dbraw/zinc/27/89/68/394278968.db2.gz DEDZYERFOKESHM-TUUVXOQKSA-N 2 0 262.397 2.622 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423376031 394279560 /nfs/dbraw/zinc/27/95/60/394279560.db2.gz IZPJPPFBGOGIJC-GARJFASQSA-N 2 0 254.399 2.677 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000423404755 394280381 /nfs/dbraw/zinc/28/03/81/394280381.db2.gz XRNCCAQFVZNEMP-IIAWOOMASA-N 2 0 276.449 2.877 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(F)c1F ZINC000423506865 394285384 /nfs/dbraw/zinc/28/53/84/394285384.db2.gz MLRZXUAVZKLPNP-DCAQKATOSA-N 2 0 254.324 2.743 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cnn1C(C)(C)C ZINC000423508611 394285520 /nfs/dbraw/zinc/28/55/20/394285520.db2.gz NRJYYNILHZSGLD-UBHSHLNASA-N 2 0 278.444 2.725 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423516121 394288028 /nfs/dbraw/zinc/28/80/28/394288028.db2.gz ATMNLAFICPSNAZ-BZNIZROVSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-n2ccnc2)cc1 ZINC000423520617 394289369 /nfs/dbraw/zinc/28/93/69/394289369.db2.gz FGTBTVCOUHJYOU-CQSZACIVSA-N 2 0 284.407 2.665 20 0 CFADRP CCc1nc(C)c([C@@H](C)NCCC[N@H+](C)CCOC)s1 ZINC000153729007 394290555 /nfs/dbraw/zinc/29/05/55/394290555.db2.gz MUUNFTJTWWQPHN-GFCCVEGCSA-N 2 0 299.484 2.633 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000450401826 394291785 /nfs/dbraw/zinc/29/17/85/394291785.db2.gz JPANLYOKJHDWBR-IKGGRYGDSA-N 2 0 282.472 2.734 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(OC)c1 ZINC000423533295 394292081 /nfs/dbraw/zinc/29/20/81/394292081.db2.gz XDGHSICMALUVCS-MRXNPFEDSA-N 2 0 262.397 2.878 20 0 CFADRP C[N@H+](C[C@@H]1CCC(F)(F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000450429618 394292426 /nfs/dbraw/zinc/29/24/26/394292426.db2.gz MGKCSKGASWJXBI-OLZOCXBDSA-N 2 0 260.372 2.695 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423532814 394292442 /nfs/dbraw/zinc/29/24/42/394292442.db2.gz VWQGJRCYDALBGS-UONOGXRCSA-N 2 0 276.424 2.919 20 0 CFADRP CCC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423536016 394293058 /nfs/dbraw/zinc/29/30/58/394293058.db2.gz GFWWOSYHDRHLJV-MRXNPFEDSA-N 2 0 259.397 2.822 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000423535718 394293134 /nfs/dbraw/zinc/29/31/34/394293134.db2.gz FHAVUQKFSZWUOZ-ZDUSSCGKSA-N 2 0 272.392 2.677 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423534565 394293153 /nfs/dbraw/zinc/29/31/53/394293153.db2.gz AEDAUNQWBJDINP-JKSUJKDBSA-N 2 0 280.456 2.870 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537906 394294062 /nfs/dbraw/zinc/29/40/62/394294062.db2.gz DVNJSNQSKLAYJC-GEONZQJFSA-N 2 0 250.430 2.789 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423540356 394294201 /nfs/dbraw/zinc/29/42/01/394294201.db2.gz DKDLGGYMCGDBQA-BHTHQVBYSA-N 2 0 260.381 2.678 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423541080 394294790 /nfs/dbraw/zinc/29/47/90/394294790.db2.gz FDHSMMDKGRXMLR-BFHYXJOUSA-N 2 0 268.470 2.769 20 0 CFADRP CN(c1ccccc1C[NH2+][C@H]1CC12CC2)C1CC[NH+](C)CC1 ZINC000424184528 394333580 /nfs/dbraw/zinc/33/35/80/394333580.db2.gz MPFDQQZJUANZKI-SFHVURJKSA-N 2 0 299.462 2.859 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423547995 394295897 /nfs/dbraw/zinc/29/58/97/394295897.db2.gz GJPJPVQINJOINX-CYBMUJFWSA-N 2 0 287.407 2.605 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1=CCCCC1 ZINC000450598258 394296109 /nfs/dbraw/zinc/29/61/09/394296109.db2.gz JJLLXZMFUCUFQB-BRWVUGGUSA-N 2 0 278.440 2.670 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423551653 394296585 /nfs/dbraw/zinc/29/65/85/394296585.db2.gz JFRHQRXDHIRTPZ-CYBMUJFWSA-N 2 0 262.372 2.656 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)oc1C ZINC000423554585 394297261 /nfs/dbraw/zinc/29/72/61/394297261.db2.gz WXHCNEGKDDAQET-CYUUQNCZSA-N 2 0 262.397 2.935 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H](C)C2 ZINC000423563274 394297865 /nfs/dbraw/zinc/29/78/65/394297865.db2.gz RHXYBWIMADGSPD-GUYCJALGSA-N 2 0 258.409 2.960 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155129130 394310285 /nfs/dbraw/zinc/31/02/85/394310285.db2.gz HPXPHWAUJXSKEL-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000423779726 394317698 /nfs/dbraw/zinc/31/76/98/394317698.db2.gz FULXOXBFLFRBBC-CZUORRHYSA-N 2 0 291.439 2.615 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000155714200 394322303 /nfs/dbraw/zinc/32/23/03/394322303.db2.gz CSTLHRAJQGJNCI-CAOSSQGBSA-N 2 0 270.461 2.756 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493917018 394336789 /nfs/dbraw/zinc/33/67/89/394336789.db2.gz OKANHYPWQSRSFG-WBVHZDCISA-N 2 0 288.435 2.702 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157283444 394343684 /nfs/dbraw/zinc/34/36/84/394343684.db2.gz ZSMQTPGPZOFENL-DLBZAZTESA-N 2 0 273.424 2.594 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH+](C)C1CCCCC1 ZINC000157428083 394345225 /nfs/dbraw/zinc/34/52/25/394345225.db2.gz XFAJDZDEPYTOCE-INMHGKMJSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cc(OC)ccc2OC)CC1 ZINC000157514045 394346557 /nfs/dbraw/zinc/34/65/57/394346557.db2.gz CUBYQLPKIBPFRX-UHFFFAOYSA-N 2 0 292.423 2.620 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000157926754 394352304 /nfs/dbraw/zinc/35/23/04/394352304.db2.gz KSMJQTQVKPOFDJ-CABCVRRESA-N 2 0 278.444 2.583 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000158143440 394355242 /nfs/dbraw/zinc/35/52/42/394355242.db2.gz WLJSBUBXIMHCDH-UHFFFAOYSA-N 2 0 292.471 2.539 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000158189174 394355594 /nfs/dbraw/zinc/35/55/94/394355594.db2.gz LJPPUQYRRKEYIA-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCOC1 ZINC000158568107 394358505 /nfs/dbraw/zinc/35/85/05/394358505.db2.gz BVXWWPLOKCFLSE-WCXIOVBPSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC000494607642 394360178 /nfs/dbraw/zinc/36/01/78/394360178.db2.gz GAAQJMNOAZGKKO-UHFFFAOYSA-N 2 0 273.355 2.572 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000494636804 394361277 /nfs/dbraw/zinc/36/12/77/394361277.db2.gz YPJNWTAHOGLDHE-PBHICJAKSA-N 2 0 288.435 2.916 20 0 CFADRP Cc1ccccc1CC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000451169260 394363998 /nfs/dbraw/zinc/36/39/98/394363998.db2.gz ZVXYWRPVUFTFPZ-QGZVFWFLSA-N 2 0 260.425 2.954 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162845251 394368218 /nfs/dbraw/zinc/36/82/18/394368218.db2.gz RGNOTYNPPYNUAO-CAOSSQGBSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C[NH3+] ZINC000163400943 394368518 /nfs/dbraw/zinc/36/85/18/394368518.db2.gz HZPLSUBFHKBDJB-CJNGLKHVSA-N 2 0 288.435 2.817 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000166014242 394369955 /nfs/dbraw/zinc/36/99/55/394369955.db2.gz RMPYTMSGPVLXBZ-QGPPMGRFSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000519714938 394376334 /nfs/dbraw/zinc/37/63/34/394376334.db2.gz SXEVNBQIZXIKSM-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000521859093 394381572 /nfs/dbraw/zinc/38/15/72/394381572.db2.gz ZNACVFXYXNXCFL-NSHDSACASA-N 2 0 279.453 2.672 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453331905 394386645 /nfs/dbraw/zinc/38/66/45/394386645.db2.gz AOSPIGBHGLVRBT-GVRJEKJASA-N 2 0 250.430 2.741 20 0 CFADRP CC/C=C/C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000453333891 394386869 /nfs/dbraw/zinc/38/68/69/394386869.db2.gz WYUHVWKAPUCZDA-BUWFCSEKSA-N 2 0 268.445 2.679 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000178410355 394387899 /nfs/dbraw/zinc/38/78/99/394387899.db2.gz OPAJGJNQCAGZJF-SFHVURJKSA-N 2 0 290.451 2.710 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527519057 394388083 /nfs/dbraw/zinc/38/80/83/394388083.db2.gz GYPSPLUNICMJED-OAHLLOKOSA-N 2 0 298.377 2.825 20 0 CFADRP CCCC[C@H](COC)[NH2+]CCC[NH+]1CCCCC1 ZINC000178410694 394388165 /nfs/dbraw/zinc/38/81/65/394388165.db2.gz NOZSMMOVSBXAMO-OAHLLOKOSA-N 2 0 256.434 2.657 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccnc(C)c2)C1 ZINC000527533037 394388534 /nfs/dbraw/zinc/38/85/34/394388534.db2.gz HFZGIZLPRXKJPS-INIZCTEOSA-N 2 0 261.413 2.554 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000685001952 542886135 /nfs/dbraw/zinc/88/61/35/542886135.db2.gz ORNXZWCRUPIIGR-OAHLLOKOSA-N 2 0 261.413 2.886 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCCC1 ZINC000453408157 394398765 /nfs/dbraw/zinc/39/87/65/394398765.db2.gz SIDHLFAJWNMVHP-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)O1 ZINC000453407686 394398812 /nfs/dbraw/zinc/39/88/12/394398812.db2.gz MJKUPHNZIOSNDQ-PBHICJAKSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1CCF)C1CC1 ZINC000453411505 394399652 /nfs/dbraw/zinc/39/96/52/394399652.db2.gz VPBDYFWEWXIGLX-UKRRQHHQSA-N 2 0 256.409 2.979 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccncc2Cl)C1 ZINC000527720642 394399844 /nfs/dbraw/zinc/39/98/44/394399844.db2.gz OLAXTPPRLUDEBF-LBPRGKRZSA-N 2 0 267.804 2.557 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC(C)(C)CC)[C@H](C)C1 ZINC000453414190 394400364 /nfs/dbraw/zinc/40/03/64/394400364.db2.gz STIRMMVAEQKWRG-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC12CC2 ZINC000527871999 394419613 /nfs/dbraw/zinc/41/96/13/394419613.db2.gz KVJPXSILXWHOBB-SVGFKBNWSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CC12CC2 ZINC000527892582 394422338 /nfs/dbraw/zinc/42/23/38/394422338.db2.gz KNUYQDRRKBNNCU-KGLIPLIRSA-N 2 0 250.430 2.887 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCN1C1CCCCC1 ZINC000527947025 394430009 /nfs/dbraw/zinc/43/00/09/394430009.db2.gz JMUOLIXPSLBRIF-DLBZAZTESA-N 2 0 292.467 2.942 20 0 CFADRP c1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530176614 394471243 /nfs/dbraw/zinc/47/12/43/394471243.db2.gz CXSRNURZVBEFAJ-GOSISDBHSA-N 2 0 299.462 2.525 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179444 394473436 /nfs/dbraw/zinc/47/34/36/394473436.db2.gz VCWIDOPHGCVZIO-GXTWGEPZSA-N 2 0 264.438 2.943 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000530218064 394485307 /nfs/dbraw/zinc/48/53/07/394485307.db2.gz BICZUBFZRANLGE-OAHLLOKOSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000530220133 394487669 /nfs/dbraw/zinc/48/76/69/394487669.db2.gz SBYDDKWEZYXZKJ-IRXDYDNUSA-N 2 0 294.414 2.587 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2n1 ZINC000530221687 394488453 /nfs/dbraw/zinc/48/84/53/394488453.db2.gz XDIORQLTIKYNPY-BRWVUGGUSA-N 2 0 298.434 2.584 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000530225478 394489619 /nfs/dbraw/zinc/48/96/19/394489619.db2.gz ZZATWODPMBCVEO-ZBFHGGJFSA-N 2 0 291.439 2.533 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000530225250 394489996 /nfs/dbraw/zinc/48/99/96/394489996.db2.gz UUEABXMIJHBEKI-UHFFFAOYSA-N 2 0 287.329 2.661 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)C1 ZINC000530226573 394490738 /nfs/dbraw/zinc/49/07/38/394490738.db2.gz SJPMTYXUELFDAP-HZPDHXFCSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000530225680 394491293 /nfs/dbraw/zinc/49/12/93/394491293.db2.gz OVXUQDDKVXJMGR-NMHRLERGSA-N 2 0 268.445 2.699 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240761 394494517 /nfs/dbraw/zinc/49/45/17/394494517.db2.gz NGICTRYAYPKVNW-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000530245666 394495615 /nfs/dbraw/zinc/49/56/15/394495615.db2.gz ZLWKIWRXFRBEIS-OAHLLOKOSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@H]1C[N@H+](CCCC[NH+]2C[C@@H](C)[C@H](C)C2)C[C@H]1C ZINC000536541881 394559273 /nfs/dbraw/zinc/55/92/73/394559273.db2.gz VLELAWRDDRJBAU-FPCVCCKLSA-N 2 0 252.446 2.942 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000536855612 394572346 /nfs/dbraw/zinc/57/23/46/394572346.db2.gz BMPVLJLRKCMIRN-RHSMWYFYSA-N 2 0 290.451 2.903 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000540982143 394661178 /nfs/dbraw/zinc/66/11/78/394661178.db2.gz ATHYVKZPAKPTAM-CQSZACIVSA-N 2 0 269.392 2.618 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1cccs1 ZINC000539067368 394621727 /nfs/dbraw/zinc/62/17/27/394621727.db2.gz SANTVDSTMBCFJW-TZMCWYRMSA-N 2 0 252.427 2.611 20 0 CFADRP Cc1ccc([C@H](NCCC[NH+](C)C)C2CCC2)o1 ZINC000543607474 394736588 /nfs/dbraw/zinc/73/65/88/394736588.db2.gz IMEKYVDWIWKLCA-OAHLLOKOSA-N 2 0 250.386 2.971 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C2 ZINC000685665865 542940969 /nfs/dbraw/zinc/94/09/69/542940969.db2.gz YGAMYXHLSAXCHZ-PBHICJAKSA-N 2 0 288.435 2.618 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CN(CC)CC)C1CCOCC1 ZINC000532483049 542963055 /nfs/dbraw/zinc/96/30/55/542963055.db2.gz SWEHBBSRGMSEDE-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000554735315 394957642 /nfs/dbraw/zinc/95/76/42/394957642.db2.gz VLJAIWUGDQMNIT-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3(C)CC3)CC2)C[C@@H](C)O1 ZINC000555595348 394977676 /nfs/dbraw/zinc/97/76/76/394977676.db2.gz VEXUZXTWHCVEIQ-HUUCEWRRSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000558968135 395079962 /nfs/dbraw/zinc/07/99/62/395079962.db2.gz BATOWHXHDVOWNY-WMZOPIPTSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)C1 ZINC000557265624 395033510 /nfs/dbraw/zinc/03/35/10/395033510.db2.gz DKSDNHOWSWRKFO-JOCBIADPSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000648416019 395134941 /nfs/dbraw/zinc/13/49/41/395134941.db2.gz FPBSCAHZEKJSSL-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCOC2)c1 ZINC000177979183 543000540 /nfs/dbraw/zinc/00/05/40/543000540.db2.gz RXTRQJSWTWPXDJ-KRWDZBQOSA-N 2 0 276.424 2.795 20 0 CFADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178982602 543005191 /nfs/dbraw/zinc/00/51/91/543005191.db2.gz CWXMVSSOTPYPRO-KRWDZBQOSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1nc2ccccc2nc1C[N@H+](C)CCCn1ccnc1 ZINC000181089974 543019407 /nfs/dbraw/zinc/01/94/07/543019407.db2.gz RQOWSGXPKRVDIE-UHFFFAOYSA-N 2 0 295.390 2.657 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CO1 ZINC000647177120 395201424 /nfs/dbraw/zinc/20/14/24/395201424.db2.gz LVYRLUAECXJFPD-HIFRSBDPSA-N 2 0 294.464 2.727 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647308338 395283552 /nfs/dbraw/zinc/28/35/52/395283552.db2.gz OBZWZATUWAZXFL-LSDHHAIUSA-N 2 0 290.455 2.602 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647308336 395284008 /nfs/dbraw/zinc/28/40/08/395284008.db2.gz OBZWZATUWAZXFL-GJZGRUSLSA-N 2 0 290.455 2.602 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C)C1 ZINC000647356872 395312332 /nfs/dbraw/zinc/31/23/32/395312332.db2.gz SRJCGNWWEUOXOS-TZNCUMHOSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1ccsc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483081 395355816 /nfs/dbraw/zinc/35/58/16/395355816.db2.gz XRMROIGHZXOVNL-UHFFFAOYSA-N 2 0 250.411 2.773 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cscc2Cl)CC1 ZINC000647494231 395358878 /nfs/dbraw/zinc/35/88/78/395358878.db2.gz IGCRXKBCKBAYAS-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP Cn1cc(C[N@H+](C)CCC[NH3+])c(-c2cc3ccccc3o2)n1 ZINC000647497566 395359889 /nfs/dbraw/zinc/35/98/89/395359889.db2.gz MGYXCZHTFITAJV-UHFFFAOYSA-N 2 0 298.390 2.614 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(C)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497574 395361038 /nfs/dbraw/zinc/36/10/38/395361038.db2.gz MLHKZPWUJMEUFL-LSDHHAIUSA-N 2 0 262.397 2.563 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(C)c(OC)c(C)c2)CC[C@H]1[NH3+] ZINC000647499023 395363636 /nfs/dbraw/zinc/36/36/36/395363636.db2.gz XAALRGXCCOZUNX-JKSUJKDBSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@]1(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]C1 ZINC000647513920 395368669 /nfs/dbraw/zinc/36/86/69/395368669.db2.gz SLFWBAUUQWPGCT-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000647516316 395370840 /nfs/dbraw/zinc/37/08/40/395370840.db2.gz FUKKPPLJMUPNKC-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543576 395384655 /nfs/dbraw/zinc/38/46/55/395384655.db2.gz PSBWUAZLMFUPNV-ZIAGYGMSSA-N 2 0 293.480 2.917 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542895 395384853 /nfs/dbraw/zinc/38/48/53/395384853.db2.gz DKTANGQUPFFBSV-UONOGXRCSA-N 2 0 279.453 2.663 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542871 395384950 /nfs/dbraw/zinc/38/49/50/395384950.db2.gz DEBYTGRUMISJKM-UONOGXRCSA-N 2 0 264.438 2.960 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647544387 395385495 /nfs/dbraw/zinc/38/54/95/395385495.db2.gz ZQZMSQIUIOQKRS-DLBZAZTESA-N 2 0 290.455 2.676 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647544390 395386253 /nfs/dbraw/zinc/38/62/53/395386253.db2.gz ZQZMSQIUIOQKRS-IRXDYDNUSA-N 2 0 290.455 2.676 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000647548505 395386829 /nfs/dbraw/zinc/38/68/29/395386829.db2.gz FCULTOOQPUTMPF-KCQAQPDRSA-N 2 0 296.817 2.999 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549584 395388003 /nfs/dbraw/zinc/38/80/03/395388003.db2.gz ITNJTGLYFVOQEL-QJPTWQEYSA-N 2 0 282.790 2.957 20 0 CFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549240 395388382 /nfs/dbraw/zinc/38/83/82/395388382.db2.gz OZDCJDQLFCIPIN-ARFHVFGLSA-N 2 0 284.403 2.953 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549291 395388411 /nfs/dbraw/zinc/38/84/11/395388411.db2.gz QTONFBRFBUDQFT-YESZJQIVSA-N 2 0 288.435 2.742 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549014 395388553 /nfs/dbraw/zinc/38/85/53/395388553.db2.gz FJRCBFSQYUUYJH-GVDBMIGSSA-N 2 0 288.435 2.606 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C ZINC000647550567 395389386 /nfs/dbraw/zinc/38/93/86/395389386.db2.gz YOHHTPBHGNYBFK-IXDOHACOSA-N 2 0 288.435 2.524 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000647551012 395389432 /nfs/dbraw/zinc/38/94/32/395389432.db2.gz SNMXWUTUMMIXTL-MGPQQGTHSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000647552590 395390813 /nfs/dbraw/zinc/39/08/13/395390813.db2.gz JNZOVUFLVDZPQD-NXEZZACHSA-N 2 0 253.415 2.626 20 0 CFADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C1(O)CCCC1 ZINC000648843555 395335387 /nfs/dbraw/zinc/33/53/87/395335387.db2.gz BTAHBGCKRFPFKX-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c1)NCC2 ZINC000647479578 395353226 /nfs/dbraw/zinc/35/32/26/395353226.db2.gz LXUBIFCGOGWNCF-NVXWUHKLSA-N 2 0 285.435 2.619 20 0 CFADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1CC[NH2+]C1)CCC2 ZINC000647989641 395473348 /nfs/dbraw/zinc/47/33/48/395473348.db2.gz RDJCJARDCTZWGA-AAEUAGOBSA-N 2 0 279.453 2.624 20 0 CFADRP COc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1OC ZINC000647872166 395448229 /nfs/dbraw/zinc/44/82/29/395448229.db2.gz AUQNXIUGBGVFRV-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP Clc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647874974 395449357 /nfs/dbraw/zinc/44/93/57/395449357.db2.gz OEHFJUZBGCGDOX-CYBMUJFWSA-N 2 0 264.800 2.914 20 0 CFADRP COc1cc(C[N@H+](C)CCCC2CC[NH2+]CC2)ccc1O ZINC000647874668 395449373 /nfs/dbraw/zinc/44/93/73/395449373.db2.gz LOCOVFFTWFVWNO-UHFFFAOYSA-N 2 0 292.423 2.612 20 0 CFADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647883457 395451676 /nfs/dbraw/zinc/45/16/76/395451676.db2.gz SDQLEKBXYCKFAA-ROUUACIJSA-N 2 0 272.436 2.859 20 0 CFADRP Clc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647881531 395451723 /nfs/dbraw/zinc/45/17/23/395451723.db2.gz DPUKNHZNQAPLAB-DZGCQCFKSA-N 2 0 278.827 2.956 20 0 CFADRP COc1ccccc1CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884126 395452287 /nfs/dbraw/zinc/45/22/87/395452287.db2.gz NIKYDQDYIDUJNA-MRXNPFEDSA-N 2 0 288.435 2.559 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647886022 395453177 /nfs/dbraw/zinc/45/31/77/395453177.db2.gz FQSQUOSFLSPIAH-TZMCWYRMSA-N 2 0 266.816 2.812 20 0 CFADRP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890111 395454243 /nfs/dbraw/zinc/45/42/43/395454243.db2.gz QMUJKWOJSGERGU-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000649223554 395454488 /nfs/dbraw/zinc/45/44/88/395454488.db2.gz DHVWLRVRAXKGRV-LBPRGKRZSA-N 2 0 271.364 2.837 20 0 CFADRP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000647892203 395454674 /nfs/dbraw/zinc/45/46/74/395454674.db2.gz BLPFQUCMPNVLME-MLGOLLRUSA-N 2 0 262.372 2.866 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647991132 395473950 /nfs/dbraw/zinc/47/39/50/395473950.db2.gz BLQRMWJMXJIXSA-QGZVFWFLSA-N 2 0 282.472 2.905 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000647991684 395474429 /nfs/dbraw/zinc/47/44/29/395474429.db2.gz YGDSNTOWKODOIN-GHMZBOCLSA-N 2 0 264.335 2.506 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CCCCC1 ZINC000647959863 395466263 /nfs/dbraw/zinc/46/62/63/395466263.db2.gz QVILYTGBYXDLTB-SJORKVTESA-N 2 0 282.472 2.732 20 0 CFADRP COc1ccccc1C1([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000647996260 395474732 /nfs/dbraw/zinc/47/47/32/395474732.db2.gz DUZBBEIHQPOGLL-CQSZACIVSA-N 2 0 274.408 2.664 20 0 CFADRP Clc1ccccc1C1([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000647995341 395474788 /nfs/dbraw/zinc/47/47/88/395474788.db2.gz QCJSZNQKKRUUAD-GFCCVEGCSA-N 2 0 264.800 2.918 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647978563 395471643 /nfs/dbraw/zinc/47/16/43/395471643.db2.gz UWODXWQQIKWPFJ-WMZOPIPTSA-N 2 0 287.451 2.910 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975957 395471771 /nfs/dbraw/zinc/47/17/71/395471771.db2.gz ICQLYLGDHOFTCX-SJORKVTESA-N 2 0 288.435 2.777 20 0 CFADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786138 395427812 /nfs/dbraw/zinc/42/78/12/395427812.db2.gz JBOZOTNWZXGYKU-GZBFAFLISA-N 2 0 294.826 2.697 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647784453 395428090 /nfs/dbraw/zinc/42/80/90/395428090.db2.gz UMVQWSALJZQEOU-YESZJQIVSA-N 2 0 258.409 2.781 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785481 395428117 /nfs/dbraw/zinc/42/81/17/395428117.db2.gz AEQPLSHZNPTLFN-USXIJHARSA-N 2 0 288.435 2.952 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786579 395428183 /nfs/dbraw/zinc/42/81/83/395428183.db2.gz SIJYUGZVKWBQDK-KZNAEPCWSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1F ZINC000647788415 395428712 /nfs/dbraw/zinc/42/87/12/395428712.db2.gz JHUYRPVFBCWUQS-LXTVHRRPSA-N 2 0 292.398 2.571 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)nc21 ZINC000647788177 395428772 /nfs/dbraw/zinc/42/87/72/395428772.db2.gz DJDCKXCTAQXXLG-RBSFLKMASA-N 2 0 299.418 2.656 20 0 CFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647789841 395429909 /nfs/dbraw/zinc/42/99/09/395429909.db2.gz MKXCRVYUKWRZOF-CKEIUWERSA-N 2 0 288.410 2.835 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793765 395430175 /nfs/dbraw/zinc/43/01/75/395430175.db2.gz HRQGLRWIDGTUDM-BFHYXJOUSA-N 2 0 264.438 2.577 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000647793711 395430392 /nfs/dbraw/zinc/43/03/92/395430392.db2.gz GAGNRXMNBCWQFF-MWQQHZPXSA-N 2 0 271.408 2.510 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793453 395430522 /nfs/dbraw/zinc/43/05/22/395430522.db2.gz YNCTVLUNXHPYQJ-BRWVUGGUSA-N 2 0 288.435 2.606 20 0 CFADRP c1ccc(CC2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647792937 395430606 /nfs/dbraw/zinc/43/06/06/395430606.db2.gz FUEPINPJTPTEFL-KZNAEPCWSA-N 2 0 284.447 2.987 20 0 CFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000647794140 395431100 /nfs/dbraw/zinc/43/11/00/395431100.db2.gz SAILJTSTIQCKOD-GUDVDZBRSA-N 2 0 284.447 2.769 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647794041 395431413 /nfs/dbraw/zinc/43/14/13/395431413.db2.gz PLIWIAAISSXZHE-GCSSGZNBSA-N 2 0 280.456 2.558 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794142 395431482 /nfs/dbraw/zinc/43/14/82/395431482.db2.gz SBKNXDIQNMMFSQ-BFHYXJOUSA-N 2 0 264.438 2.658 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647978598 395472212 /nfs/dbraw/zinc/47/22/12/395472212.db2.gz VHJGRPKGTGAQEV-SOUVJXGZSA-N 2 0 277.412 2.756 20 0 CFADRP FC1(F)CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647797007 395433020 /nfs/dbraw/zinc/43/30/20/395433020.db2.gz UOXYTGIDWRYGHZ-BFHYXJOUSA-N 2 0 272.383 2.790 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000647978599 395472274 /nfs/dbraw/zinc/47/22/74/395472274.db2.gz VHJGRPKGTGAQEV-ZNMIVQPWSA-N 2 0 277.412 2.756 20 0 CFADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647798949 395433401 /nfs/dbraw/zinc/43/34/01/395433401.db2.gz ZKYQPHABGOKEHS-YNEHKIRRSA-N 2 0 299.340 2.578 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800887 395434329 /nfs/dbraw/zinc/43/43/29/395434329.db2.gz LJFVPQHJCPBISF-IHRRRGAJSA-N 2 0 292.448 2.647 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000647801601 395434983 /nfs/dbraw/zinc/43/49/83/395434983.db2.gz YXBAHENKOUIADV-MWQQHZPXSA-N 2 0 258.409 2.910 20 0 CFADRP COc1cccc(CCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814765 395439278 /nfs/dbraw/zinc/43/92/78/395439278.db2.gz DYSOKEGZWUXKRZ-UHFFFAOYSA-N 2 0 288.435 2.844 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN1CCC[NH+](CC2CCCCC2)CC1 ZINC000649492491 395508919 /nfs/dbraw/zinc/50/89/19/395508919.db2.gz WGEZMDKTAZTWGW-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649531499 395517908 /nfs/dbraw/zinc/51/79/08/395517908.db2.gz IZPOXPIVVMPBKW-FGTMMUONSA-N 2 0 293.499 2.667 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000649572333 395528358 /nfs/dbraw/zinc/52/83/58/395528358.db2.gz SGDGUCGNQKZEMS-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036997073 543025438 /nfs/dbraw/zinc/02/54/38/543025438.db2.gz BULIECZHJDYNJY-BMGDILEWSA-N 2 0 288.435 2.843 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000649411922 395489320 /nfs/dbraw/zinc/48/93/20/395489320.db2.gz VAILLPASJPRTNB-SFHVURJKSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417820 395490435 /nfs/dbraw/zinc/49/04/35/395490435.db2.gz IWSMNNSNKOSOAJ-DJIMGWMZSA-N 2 0 273.424 2.854 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649418190 395490676 /nfs/dbraw/zinc/49/06/76/395490676.db2.gz FSODRFYDSJIHIL-UONOGXRCSA-N 2 0 293.842 2.947 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000649965082 395596404 /nfs/dbraw/zinc/59/64/04/395596404.db2.gz YVDNWSPGRZGECS-QXSJWSMHSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)C1CC[NH+](C)CC1 ZINC000037219882 543027633 /nfs/dbraw/zinc/02/76/33/543027633.db2.gz APPNLOUUMBTUJK-QAPCUYQASA-N 2 0 289.467 2.609 20 0 CFADRP C[C@H](CCO)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000649870524 395583804 /nfs/dbraw/zinc/58/38/04/395583804.db2.gz BZGKXGJUKJWRBZ-MRXNPFEDSA-N 2 0 290.451 2.875 20 0 CFADRP c1ccc2c(c1)CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000316897797 413103487 /nfs/dbraw/zinc/10/34/87/413103487.db2.gz JLCCDGAUYCVAEK-UHFFFAOYSA-N 2 0 292.426 2.933 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000334862423 292099565 /nfs/dbraw/zinc/09/95/65/292099565.db2.gz LNTQRWGCISNMPU-MSOLQXFVSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401025969 413160780 /nfs/dbraw/zinc/16/07/80/413160780.db2.gz UJWZDXHMMHIWRN-MBNYWOFBSA-N 2 0 250.411 2.534 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401021344 413160845 /nfs/dbraw/zinc/16/08/45/413160845.db2.gz KZQWBOPHEJKIOM-OXGONZEZSA-N 2 0 250.430 2.790 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401112541 413161322 /nfs/dbraw/zinc/16/13/22/413161322.db2.gz HCFFUWPVZVAUEK-GVDBMIGSSA-N 2 0 258.409 2.597 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401061171 413159314 /nfs/dbraw/zinc/15/93/14/413159314.db2.gz XAYYCJAMFUXFGY-RYQLBKOJSA-N 2 0 288.435 2.701 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000401112902 413159329 /nfs/dbraw/zinc/15/93/29/413159329.db2.gz HQTABAWAZVJPCR-RBSFLKMASA-N 2 0 252.446 2.892 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cs1 ZINC000394512927 397549619 /nfs/dbraw/zinc/54/96/19/397549619.db2.gz OODKGRXEZVKMFZ-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP CO[C@](C)(C[NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000389063810 397538726 /nfs/dbraw/zinc/53/87/26/397538726.db2.gz JJBIOMZSDLNOHX-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000390756739 397543818 /nfs/dbraw/zinc/54/38/18/397543818.db2.gz WUZPZUMIQURZCX-HYVNUMGLSA-N 2 0 290.476 2.992 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000347117531 397657284 /nfs/dbraw/zinc/65/72/84/397657284.db2.gz URWLACUMXFBPJL-UAGQMJEPSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc2c(c1)CC[C@@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)N2 ZINC000650759839 397886394 /nfs/dbraw/zinc/88/63/94/397886394.db2.gz QYMAXIWQOSTZJS-PMRDEQMMSA-N 2 0 285.435 2.676 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759652 397886418 /nfs/dbraw/zinc/88/64/18/397886418.db2.gz NOJVGRQRZNKPTN-JYJNAYRXSA-N 2 0 273.424 2.520 20 0 CFADRP C[N@H+](Cc1cccc2c1CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000650702869 397859600 /nfs/dbraw/zinc/85/96/00/397859600.db2.gz YWJQZZJSLYVMDZ-SJPCQFCGSA-N 2 0 270.420 2.890 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763184 397887766 /nfs/dbraw/zinc/88/77/66/397887766.db2.gz TYLNFDOKWSIQCZ-CABCVRRESA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707774 397861821 /nfs/dbraw/zinc/86/18/21/397861821.db2.gz MXOJKUYYWMONBG-RRFJBIMHSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709667 397862644 /nfs/dbraw/zinc/86/26/44/397862644.db2.gz LECQDBJHBXICHP-NJAFHUGGSA-N 2 0 272.436 2.926 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CCC2CC[NH2+]CC2)C[C@@H]1OC ZINC000650763299 397887909 /nfs/dbraw/zinc/88/79/09/397887909.db2.gz XHDMROWEJYMIBY-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP CCCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650711695 397864187 /nfs/dbraw/zinc/86/41/87/397864187.db2.gz AEFUQKOLZHDGDC-UHFFFAOYSA-N 2 0 292.423 2.703 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713677 397865891 /nfs/dbraw/zinc/86/58/91/397865891.db2.gz ZPFKJAYOJLSZMB-HNNXBMFYSA-N 2 0 260.425 2.974 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000650714257 397865896 /nfs/dbraw/zinc/86/58/96/397865896.db2.gz XGGKGAGDRQPPJU-UHFFFAOYSA-N 2 0 278.343 2.986 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717725 397867450 /nfs/dbraw/zinc/86/74/50/397867450.db2.gz KMXYGHDIRCKUKE-ABAIWWIYSA-N 2 0 250.361 2.953 20 0 CFADRP c1ccc2c(c1)CC[C@@H](CC[NH2+][C@H]1CCC[NH2+]CC1)N2 ZINC000650721258 397870285 /nfs/dbraw/zinc/87/02/85/397870285.db2.gz YZQSJVNKAVYPTF-HOTGVXAUSA-N 2 0 273.424 2.535 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(OC)c1 ZINC000650763990 397888544 /nfs/dbraw/zinc/88/85/44/397888544.db2.gz NRKMFZVHMLVZFU-CYBMUJFWSA-N 2 0 292.423 2.744 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2F)C1 ZINC000650721792 397870313 /nfs/dbraw/zinc/87/03/13/397870313.db2.gz BMHRVAVITKEQAY-OIISXLGYSA-N 2 0 292.398 2.687 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000650721620 397870375 /nfs/dbraw/zinc/87/03/75/397870375.db2.gz UAZPWUOCTIAIBM-AWEZNQCLSA-N 2 0 295.452 2.555 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC000650723605 397871409 /nfs/dbraw/zinc/87/14/09/397871409.db2.gz QSUWHDUYLTZVDQ-OAGGEKHMSA-N 2 0 266.429 2.537 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722506 397871515 /nfs/dbraw/zinc/87/15/15/397871515.db2.gz VVPJUQZAHJSGIP-KZNAEPCWSA-N 2 0 288.435 2.856 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741034 397875503 /nfs/dbraw/zinc/87/55/03/397875503.db2.gz WOMXYDCRWACCOZ-HUUCEWRRSA-N 2 0 262.372 2.717 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000650741584 397876087 /nfs/dbraw/zinc/87/60/87/397876087.db2.gz GUVRRJZQAQBWFL-QMCVQRASSA-N 2 0 258.409 2.829 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000650742478 397876793 /nfs/dbraw/zinc/87/67/93/397876793.db2.gz YSJMGNHUUPGCTM-DTYCBIMDSA-N 2 0 270.420 2.829 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000650744347 397878361 /nfs/dbraw/zinc/87/83/61/397878361.db2.gz MDHDENKGPDHLKG-LLVKDONJSA-N 2 0 279.453 2.802 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCCO2 ZINC000650745952 397878952 /nfs/dbraw/zinc/87/89/52/397878952.db2.gz RXHGVYSSLYBTQR-HNNXBMFYSA-N 2 0 274.408 2.927 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H](C)[C@H]1OC ZINC000650745206 397879033 /nfs/dbraw/zinc/87/90/33/397879033.db2.gz BQBCPYRUCXXFJR-MGPQQGTHSA-N 2 0 268.445 2.545 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCC2(C[NH3+])CC2)C[C@@H]1Oc1ccccc1 ZINC000650746637 397879620 /nfs/dbraw/zinc/87/96/20/397879620.db2.gz HFNFRHVLJAKKBS-HOTGVXAUSA-N 2 0 288.435 2.951 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000650746552 397879670 /nfs/dbraw/zinc/87/96/70/397879670.db2.gz FIDDMXNGJGDCIM-KBMXLJTQSA-N 2 0 258.409 2.897 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747331 397880231 /nfs/dbraw/zinc/88/02/31/397880231.db2.gz XNBIZBOTBXMLCU-KRWDZBQOSA-N 2 0 290.451 2.946 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CNc3ccccc3C2)c2ccccc21 ZINC000650747494 397880380 /nfs/dbraw/zinc/88/03/80/397880380.db2.gz BDJCRWDLWPJRDO-QBIMZIAESA-N 2 0 279.387 2.758 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CN2 ZINC000650747853 397880453 /nfs/dbraw/zinc/88/04/53/397880453.db2.gz IYZDHJKNUASVBY-OGWHTMIXSA-N 2 0 299.462 2.924 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(F)c1 ZINC000650747329 397880505 /nfs/dbraw/zinc/88/05/05/397880505.db2.gz XMYQCBNFVUAJDM-AWEZNQCLSA-N 2 0 250.361 2.995 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650754864 397883619 /nfs/dbraw/zinc/88/36/19/397883619.db2.gz TYKLPVVGBWVTEW-LBPRGKRZSA-N 2 0 273.355 2.839 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1C[C@@H]1C ZINC000650756248 397884539 /nfs/dbraw/zinc/88/45/39/397884539.db2.gz XLDYQXPPYKUIND-XEGUGMAKSA-N 2 0 250.361 2.809 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000650755948 397884603 /nfs/dbraw/zinc/88/46/03/397884603.db2.gz QBGHKJDGOKDTBW-AWEZNQCLSA-N 2 0 299.418 2.530 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000429412387 292127166 /nfs/dbraw/zinc/12/71/66/292127166.db2.gz MNRMTCWYICRXSC-SOUVJXGZSA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000403886794 413182185 /nfs/dbraw/zinc/18/21/85/413182185.db2.gz VLWBLBKKCLBOPU-MSOLQXFVSA-N 2 0 288.435 2.722 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010083 296575764 /nfs/dbraw/zinc/57/57/64/296575764.db2.gz MXTRLYJRHAAKER-ZBFHGGJFSA-N 2 0 280.456 2.704 20 0 CFADRP C[NH2+]CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404318879 413197993 /nfs/dbraw/zinc/19/79/93/413197993.db2.gz IKJZDUWUYPNYOS-YESZJQIVSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2ccccc2)[C@H]1CC[NH3+] ZINC000404395464 413202140 /nfs/dbraw/zinc/20/21/40/413202140.db2.gz OGCQSUGLQJTSIH-ZBFHGGJFSA-N 2 0 262.397 2.515 20 0 CFADRP Oc1cccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000663425266 413204657 /nfs/dbraw/zinc/20/46/57/413204657.db2.gz OHVQXLXMCQSATI-LLVKDONJSA-N 2 0 269.348 2.589 20 0 CFADRP COC1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423166380 292160602 /nfs/dbraw/zinc/16/06/02/292160602.db2.gz CLXPVHBZKCPCGG-YHNBSYBMSA-N 2 0 268.445 2.844 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1F ZINC000404448177 413207047 /nfs/dbraw/zinc/20/70/47/413207047.db2.gz XWNOEGDFDCOGGF-DOMZBBRYSA-N 2 0 280.387 2.784 20 0 CFADRP Cc1ccc(-c2n[nH]cc2CN(C)CC(C)(C)[NH3+])cc1 ZINC000656782980 413219526 /nfs/dbraw/zinc/21/95/26/413219526.db2.gz KQYXYFBTGJSIDN-UHFFFAOYSA-N 2 0 272.396 2.554 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc[nH+]1 ZINC000459774937 296604963 /nfs/dbraw/zinc/60/49/63/296604963.db2.gz UTGOMXKTZJFUAZ-IAOVAPTHSA-N 2 0 271.408 2.829 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367618510 286048896 /nfs/dbraw/zinc/04/88/96/286048896.db2.gz SVTYHEACBZACDI-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000181358937 286048905 /nfs/dbraw/zinc/04/89/05/286048905.db2.gz DRJHZZVOHNCBNT-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)[C@@H](C)C1 ZINC000453293641 286059763 /nfs/dbraw/zinc/05/97/63/286059763.db2.gz PMZLCCFHUWSMSJ-SQWLQELKSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+]CC1(O)CC[NH+](Cc2cccc(C3CCCC3)c2)CC1 ZINC000656787464 413230419 /nfs/dbraw/zinc/23/04/19/413230419.db2.gz YYRQVWGKYOAMTP-UHFFFAOYSA-N 2 0 288.435 2.630 20 0 CFADRP CC(C)[NH+](CCN(C)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000356337362 155231709 /nfs/dbraw/zinc/23/17/09/155231709.db2.gz BYKWGUBEAIDAIM-INIZCTEOSA-N 2 0 269.477 2.521 20 0 CFADRP [NH3+]C1(C[NH2+]CCCCOc2ccccc2)CCCC1 ZINC000656789576 413234986 /nfs/dbraw/zinc/23/49/86/413234986.db2.gz RGPHKEVNLLFWTQ-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200867 413235957 /nfs/dbraw/zinc/23/59/57/413235957.db2.gz SDQZXVMAQWGOAM-QGZVFWFLSA-N 2 0 297.487 2.665 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000656789019 413236381 /nfs/dbraw/zinc/23/63/81/413236381.db2.gz HZRZNMVBTSCCRD-ZDUSSCGKSA-N 2 0 294.414 2.874 20 0 CFADRP [NH3+]C1(CNC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000656789656 413237302 /nfs/dbraw/zinc/23/73/02/413237302.db2.gz USLMIUAWZKLBQI-UHFFFAOYSA-N 2 0 287.451 2.512 20 0 CFADRP CCC[NH2+][C@H](C)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200664 413237878 /nfs/dbraw/zinc/23/78/78/413237878.db2.gz LOPNZWQFIGEQQV-OAHLLOKOSA-N 2 0 297.487 2.535 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC([C@H]3CCCCO3)CC2)CC[NH2+]1 ZINC000656792708 413239925 /nfs/dbraw/zinc/23/99/25/413239925.db2.gz WMKGRIXKSAIRLO-HLLBOEOZSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415035874 292215633 /nfs/dbraw/zinc/21/56/33/292215633.db2.gz JFWUGMAGICYZNO-FGTMMUONSA-N 2 0 288.435 2.599 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000663498448 413240783 /nfs/dbraw/zinc/24/07/83/413240783.db2.gz CQCVOCPDOFXPMV-ABCZVMIZSA-N 2 0 268.351 2.941 20 0 CFADRP CO[C@](C)([C@@H](C)[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000411977630 286149082 /nfs/dbraw/zinc/14/90/82/286149082.db2.gz YFNWGCKFGUAPMI-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663497944 413241213 /nfs/dbraw/zinc/24/12/13/413241213.db2.gz IUSWOQQVKWVBLF-MRXNPFEDSA-N 2 0 264.413 2.937 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1CNc1ccc2c(c1)CCCN2 ZINC000663494358 413241328 /nfs/dbraw/zinc/24/13/28/413241328.db2.gz OBBCCLGMAOUNFR-JSGCOSHPSA-N 2 0 259.397 2.702 20 0 CFADRP CCOC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000300571132 286169985 /nfs/dbraw/zinc/16/99/85/286169985.db2.gz PNOVKWIWZDUYQD-OAGGEKHMSA-N 2 0 270.461 2.948 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC[NH2+]1 ZINC000663500307 413245305 /nfs/dbraw/zinc/24/53/05/413245305.db2.gz JQVPZYYNHMXYLI-JFIYKMOQSA-N 2 0 287.451 2.585 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000663499450 413245510 /nfs/dbraw/zinc/24/55/10/413245510.db2.gz KSTFLSZTKABLHN-GOSISDBHSA-N 2 0 289.467 2.614 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000663500138 413246485 /nfs/dbraw/zinc/24/64/85/413246485.db2.gz PILDOBDZJRKQQH-UKRRQHHQSA-N 2 0 262.397 2.516 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663498908 413247626 /nfs/dbraw/zinc/24/76/26/413247626.db2.gz SQXQRINTCBIJOR-OAHLLOKOSA-N 2 0 250.386 2.548 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(CC)CC ZINC000423345987 286285785 /nfs/dbraw/zinc/28/57/85/286285785.db2.gz PISJRDNUHISVSF-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[C@@]1([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000663513074 413258548 /nfs/dbraw/zinc/25/85/48/413258548.db2.gz IDCHCVIUMIRUIM-QGZVFWFLSA-N 2 0 258.409 2.901 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000422831033 292256288 /nfs/dbraw/zinc/25/62/88/292256288.db2.gz SDKNBFUVIKFROB-BZSNNMDCSA-N 2 0 287.451 2.601 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000414718517 286333069 /nfs/dbraw/zinc/33/30/69/286333069.db2.gz ZFJUZPNTFRTHFD-APIJFGDWSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCOCC[NH3+])cc1 ZINC000357086392 292280284 /nfs/dbraw/zinc/28/02/84/292280284.db2.gz LTKYHYCADDSSQI-NVXWUHKLSA-N 2 0 276.424 2.743 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC2(C)C)cc1 ZINC000420306020 286357060 /nfs/dbraw/zinc/35/70/60/286357060.db2.gz QHTRKBRYUQWJGW-AWEZNQCLSA-N 2 0 262.397 2.612 20 0 CFADRP Fc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1F ZINC000356828948 155382706 /nfs/dbraw/zinc/38/27/06/155382706.db2.gz CORLVENMMAKZRF-OLZOCXBDSA-N 2 0 298.352 2.863 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356856583 155396182 /nfs/dbraw/zinc/39/61/82/155396182.db2.gz WCPRZRBAQVGRGS-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000343165903 154131795 /nfs/dbraw/zinc/13/17/95/154131795.db2.gz PIYFLLSZNDKFIP-NVXWUHKLSA-N 2 0 285.435 2.961 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348065248 154304156 /nfs/dbraw/zinc/30/41/56/154304156.db2.gz BNZWTHDFCKSUPA-QLFBSQMISA-N 2 0 270.461 2.758 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348105409 154321791 /nfs/dbraw/zinc/32/17/91/154321791.db2.gz SITYQPYFYPSICL-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000348111152 154323947 /nfs/dbraw/zinc/32/39/47/154323947.db2.gz VVIYTANXUREMRL-DOTOQJQBSA-N 2 0 276.424 2.905 20 0 CFADRP Fc1cncc(C[NH2+]Cc2ccccc2Cn2ccnc2)c1 ZINC000348187861 154354448 /nfs/dbraw/zinc/35/44/48/154354448.db2.gz QGILPISRLWORKP-UHFFFAOYSA-N 2 0 296.349 2.755 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CCCOC3)CC2)C1 ZINC000348202646 154360728 /nfs/dbraw/zinc/36/07/28/154360728.db2.gz ASPPITZWLLZVCC-CRAIPNDOSA-N 2 0 292.467 2.966 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000367747555 292307860 /nfs/dbraw/zinc/30/78/60/292307860.db2.gz UJXBGPIKJHKKNJ-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000123029127 292308269 /nfs/dbraw/zinc/30/82/69/292308269.db2.gz OMJXIHJUSZPKGC-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP COCCCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173520 292316601 /nfs/dbraw/zinc/31/66/01/292316601.db2.gz HIXLBCAARJHLJW-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[C@H](Nc1[nH+]ccc2[nH]ccc21)C(C)(C)C[NH+](C)C ZINC000663661990 413304899 /nfs/dbraw/zinc/30/48/99/413304899.db2.gz RNAIJDUFZASFDR-NSHDSACASA-N 2 0 260.385 2.951 20 0 CFADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(F)c1 ZINC000355599905 155051447 /nfs/dbraw/zinc/05/14/47/155051447.db2.gz SXZFNLBUYUCDEU-UHFFFAOYSA-N 2 0 295.446 2.531 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000355658417 155057973 /nfs/dbraw/zinc/05/79/73/155057973.db2.gz XDLBUDGCXHFJPR-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000355754903 155076742 /nfs/dbraw/zinc/07/67/42/155076742.db2.gz IENWXZZDKNBWGF-CQSZACIVSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000355764381 155079769 /nfs/dbraw/zinc/07/97/69/155079769.db2.gz HQDZFEJHYGQESP-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000355769666 155081107 /nfs/dbraw/zinc/08/11/07/155081107.db2.gz RIDNTACZGFGMNN-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccsc2)O1 ZINC000359186198 156017087 /nfs/dbraw/zinc/01/70/87/156017087.db2.gz HEMQRUXERCLHSF-CJNGLKHVSA-N 2 0 294.464 2.900 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)on1 ZINC000359198908 156020421 /nfs/dbraw/zinc/02/04/21/156020421.db2.gz DJBKMXOJAKUSDK-CQSZACIVSA-N 2 0 263.385 2.510 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000360176454 156041808 /nfs/dbraw/zinc/04/18/08/156041808.db2.gz BBUIOVNJGXHPJB-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000363983428 156212881 /nfs/dbraw/zinc/21/28/81/156212881.db2.gz MLUMHBFPTYOMBJ-NVXWUHKLSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366849676 156245811 /nfs/dbraw/zinc/24/58/11/156245811.db2.gz ITARMKARWLSDFL-QZTJIDSGSA-N 2 0 295.515 2.769 20 0 CFADRP C[C@H](F)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367158478 156288987 /nfs/dbraw/zinc/28/89/87/156288987.db2.gz SELLOXZWCNDQAA-GJZGRUSLSA-N 2 0 256.409 2.932 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccn3)C2)C1 ZINC000367308229 156311904 /nfs/dbraw/zinc/31/19/04/156311904.db2.gz NZVMMIANXHLRNE-FHERZECASA-N 2 0 273.424 2.649 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000367524426 156344073 /nfs/dbraw/zinc/34/40/73/156344073.db2.gz MBAOWSTZFRVOJO-GOSISDBHSA-N 2 0 287.451 2.820 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000367625835 156368809 /nfs/dbraw/zinc/36/88/09/156368809.db2.gz ZDASPSJASVVGAU-NUEKZKHPSA-N 2 0 292.398 2.797 20 0 CFADRP O[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000367689182 156376470 /nfs/dbraw/zinc/37/64/70/156376470.db2.gz PANYLDNVUKBWQV-DLBZAZTESA-N 2 0 280.456 2.534 20 0 CFADRP CCCCC[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369405142 156573702 /nfs/dbraw/zinc/57/37/02/156573702.db2.gz XWYHNUUUAVYKJW-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCN(c3ccccc3)C2)C1 ZINC000657182778 413333030 /nfs/dbraw/zinc/33/30/30/413333030.db2.gz QYTFZFLWJDUAIR-DLBZAZTESA-N 2 0 287.451 2.587 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000310158265 289464584 /nfs/dbraw/zinc/46/45/84/289464584.db2.gz PCTDGGHJGYJJGX-MXWKQRLJSA-N 2 0 252.324 2.825 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1cc[nH]c1)CC2)C1CC1 ZINC000374282812 157092726 /nfs/dbraw/zinc/09/27/26/157092726.db2.gz JOOWTIIMGIKTMB-OAHLLOKOSA-N 2 0 273.424 2.711 20 0 CFADRP CO[C@H](C)C[N@@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000374675640 157146971 /nfs/dbraw/zinc/14/69/71/157146971.db2.gz DIWBCTYAQCHNLV-KGLIPLIRSA-N 2 0 265.401 2.506 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC3CCOCC3)CC[C@@H]21 ZINC000375067781 157190848 /nfs/dbraw/zinc/19/08/48/157190848.db2.gz DQIOQGXDRYUGML-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CCOCC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375481377 157247909 /nfs/dbraw/zinc/24/79/09/157247909.db2.gz KMWVXMDZSDJAQD-IAGOWNOFSA-N 2 0 276.424 2.696 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653556722 413363090 /nfs/dbraw/zinc/36/30/90/413363090.db2.gz FFOAFDOOTFHEQW-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)C1CCC1 ZINC000651252619 413376505 /nfs/dbraw/zinc/37/65/05/413376505.db2.gz QVAZGZNEHIMKEV-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660548775 413388312 /nfs/dbraw/zinc/38/83/12/413388312.db2.gz FSEATYIGUSSWSN-XMTFNYHQSA-N 2 0 293.499 2.523 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)CO1 ZINC000657284266 413395539 /nfs/dbraw/zinc/39/55/39/413395539.db2.gz MMEZZYZJGNVCPR-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP c1cc2c(cc[nH+]c2NCC2CC[NH+](C3CC3)CC2)[nH]1 ZINC000663850020 413410923 /nfs/dbraw/zinc/41/09/23/413410923.db2.gz POHVBZDRNANHRL-UHFFFAOYSA-N 2 0 270.380 2.849 20 0 CFADRP c1cc(C[NH2+]CC2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657300013 413417160 /nfs/dbraw/zinc/41/71/60/413417160.db2.gz FSWFKIXVNLDQCU-UHFFFAOYSA-N 2 0 256.353 2.547 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000422985967 298399935 /nfs/dbraw/zinc/39/99/35/298399935.db2.gz GDGMGHQXDNFRMQ-ABAIWWIYSA-N 2 0 250.361 2.920 20 0 CFADRP Cc1ccc(C)c([C@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000219308276 161534448 /nfs/dbraw/zinc/53/44/48/161534448.db2.gz VEMPXMIGUZYQGU-HNNXBMFYSA-N 2 0 264.413 2.532 20 0 CFADRP COc1ccc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000261876165 161543462 /nfs/dbraw/zinc/54/34/62/161543462.db2.gz YAMLFACMXDEXDR-UHFFFAOYSA-N 2 0 288.435 2.874 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651377626 413432567 /nfs/dbraw/zinc/43/25/67/413432567.db2.gz QPJHRPLEWPSTCF-AAEUAGOBSA-N 2 0 296.377 2.664 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000660617292 413436152 /nfs/dbraw/zinc/43/61/52/413436152.db2.gz WRHMKQGKOLDWON-OCCSQVGLSA-N 2 0 260.372 2.695 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000657315202 413437188 /nfs/dbraw/zinc/43/71/88/413437188.db2.gz IKAFNHPBUMLYJB-CQSZACIVSA-N 2 0 271.408 2.908 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)OC ZINC000651387935 413438531 /nfs/dbraw/zinc/43/85/31/413438531.db2.gz RNGKBXJPGJXRIU-URGYJCLVSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@](C)(O)C2CC2)C1 ZINC000344405834 162034485 /nfs/dbraw/zinc/03/44/85/162034485.db2.gz HLCPRYXJQRKJSR-FHLIZLRMSA-N 2 0 288.435 2.573 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000344395904 162035471 /nfs/dbraw/zinc/03/54/71/162035471.db2.gz WPIGDNSIOZQJAG-VYDXJSESSA-N 2 0 289.467 2.656 20 0 CFADRP Cc1csc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000344611707 162079886 /nfs/dbraw/zinc/07/98/86/162079886.db2.gz MKUBBHDMPJBGNE-RYUDHWBXSA-N 2 0 250.411 2.771 20 0 CFADRP CC(C)c1ncc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000344686434 162097686 /nfs/dbraw/zinc/09/76/86/162097686.db2.gz RQFARVHFNCFQSG-RYUDHWBXSA-N 2 0 267.442 2.839 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000345953604 162285256 /nfs/dbraw/zinc/28/52/56/162285256.db2.gz JHKSSFSMKCSLGC-INIZCTEOSA-N 2 0 279.428 2.599 20 0 CFADRP CC[C@H]1CCC[C@H](C[N@H+](C)C2CCN(CCO)CC2)C1 ZINC000346215302 162354061 /nfs/dbraw/zinc/35/40/61/162354061.db2.gz PTVGFJBYNPOTSK-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCO[C@H](C)C2)CC1 ZINC000346373557 162394714 /nfs/dbraw/zinc/39/47/14/162394714.db2.gz SMHUMMNRAPEWFX-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346999551 162577132 /nfs/dbraw/zinc/57/71/32/162577132.db2.gz ZFPXIKHXJKTHLG-AWEZNQCLSA-N 2 0 297.487 2.534 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000349695837 163004113 /nfs/dbraw/zinc/00/41/13/163004113.db2.gz SMXSBYCBIRKEGG-XBFCOCLRSA-N 2 0 279.453 2.771 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000349714931 163006747 /nfs/dbraw/zinc/00/67/47/163006747.db2.gz CEJRLPGIZZMKNH-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC([NH2+]CCC2CCC(OC)CC2)CC1 ZINC000349716983 163007254 /nfs/dbraw/zinc/00/72/54/163007254.db2.gz BHHFFBJFHYGTOW-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000349964245 163043648 /nfs/dbraw/zinc/04/36/48/163043648.db2.gz FACZERXVAAZSIS-WMZOPIPTSA-N 2 0 294.483 2.857 20 0 CFADRP COCc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350145933 163063027 /nfs/dbraw/zinc/06/30/27/163063027.db2.gz YPIRXHBNRDSKNI-UHFFFAOYSA-N 2 0 276.424 2.607 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000350199999 163065019 /nfs/dbraw/zinc/06/50/19/163065019.db2.gz CAETZXPQWFVRIY-DOTOQJQBSA-N 2 0 291.439 2.575 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351488863 163133345 /nfs/dbraw/zinc/13/33/45/163133345.db2.gz GKTFGKYSJYZYRW-ULQDDVLXSA-N 2 0 288.435 2.741 20 0 CFADRP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000351522157 163140160 /nfs/dbraw/zinc/14/01/60/163140160.db2.gz XGVXZBVEZUYPEP-DLBZAZTESA-N 2 0 282.472 2.732 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351548291 163145288 /nfs/dbraw/zinc/14/52/88/163145288.db2.gz QCHRWZXCNDRMQD-SFHVURJKSA-N 3 0 295.515 2.915 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000352693443 163223164 /nfs/dbraw/zinc/22/31/64/163223164.db2.gz LEJCAQHNZPKGNQ-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352798607 163236626 /nfs/dbraw/zinc/23/66/26/163236626.db2.gz VESINCOVGDLVCY-FGZQJIAISA-N 2 0 268.445 2.795 20 0 CFADRP C[N@H+](CCOc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352914874 163268295 /nfs/dbraw/zinc/26/82/95/163268295.db2.gz NCNIJHZYVSESQH-XYPWUTKMSA-N 2 0 292.398 2.762 20 0 CFADRP CSC1(C[NH2+]Cc2ccccc2)CC[NH+](C)CC1 ZINC000353208284 163318283 /nfs/dbraw/zinc/31/82/83/163318283.db2.gz JFYPZPZBVLGAPD-UHFFFAOYSA-N 2 0 264.438 2.604 20 0 CFADRP CCOC(=O)[C@H]1CCCCN1CCCc1ccc(C)nc1 ZINC000353360285 163352909 /nfs/dbraw/zinc/35/29/09/163352909.db2.gz YFEWIGOOMGCERD-MRXNPFEDSA-N 2 0 290.407 2.740 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000353392648 163357173 /nfs/dbraw/zinc/35/71/73/163357173.db2.gz GYFZGQSRENHISL-IKGGRYGDSA-N 2 0 292.398 2.667 20 0 CFADRP COc1ccc(C)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353395670 163357659 /nfs/dbraw/zinc/35/76/59/163357659.db2.gz QPXAAQUQXLDCHS-UHFFFAOYSA-N 2 0 276.424 2.966 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000353502875 163380704 /nfs/dbraw/zinc/38/07/04/163380704.db2.gz MLPQSPQPVFPFBE-UHFFFAOYSA-N 2 0 268.351 2.927 20 0 CFADRP CCc1nocc1CN(CC)CCC[NH+](CC)CC ZINC000353515166 163382844 /nfs/dbraw/zinc/38/28/44/163382844.db2.gz HHYUGZSHTNWUHR-UHFFFAOYSA-N 2 0 267.417 2.791 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000353521197 163384567 /nfs/dbraw/zinc/38/45/67/163384567.db2.gz POIAEVJEEHIXOG-LLVKDONJSA-N 2 0 296.436 2.527 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353537140 163389231 /nfs/dbraw/zinc/38/92/31/163389231.db2.gz ZNMOQIFOFUVYHE-TVFCKZIOSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1F ZINC000353543982 163390996 /nfs/dbraw/zinc/39/09/96/163390996.db2.gz ORLAKMYSTZWOMZ-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc2ccncc2s1 ZINC000657335121 413462637 /nfs/dbraw/zinc/46/26/37/413462637.db2.gz LNCCNGPFTIHJJK-NSHDSACASA-N 2 0 263.410 2.726 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CCOC1 ZINC000178158324 287013654 /nfs/dbraw/zinc/01/36/54/287013654.db2.gz MJTQJPZMNSLWMH-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657335455 413465032 /nfs/dbraw/zinc/46/50/32/413465032.db2.gz QQLNXJQGKIBHLG-UHFFFAOYSA-N 2 0 263.410 2.728 20 0 CFADRP C[C@@H]([NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000423171883 287017952 /nfs/dbraw/zinc/01/79/52/287017952.db2.gz QKTFURKSMKGZCJ-GFCCVEGCSA-N 2 0 278.827 2.860 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000247204636 287022268 /nfs/dbraw/zinc/02/22/68/287022268.db2.gz WMZWUXNZZDLMCV-LSDHHAIUSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356830693 287025773 /nfs/dbraw/zinc/02/57/73/287025773.db2.gz ATNIRNURUSHRAU-YYIAUSFCSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370108732 287059971 /nfs/dbraw/zinc/05/99/71/287059971.db2.gz BFKJQAWKXMMJKQ-NVXWUHKLSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1N(C)C ZINC000423385554 287060207 /nfs/dbraw/zinc/06/02/07/287060207.db2.gz RAKCYBOBTIUJPN-MGPQQGTHSA-N 2 0 261.413 2.544 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370108734 287069471 /nfs/dbraw/zinc/06/94/71/287069471.db2.gz BFKJQAWKXMMJKQ-WBVHZDCISA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654293 413471533 /nfs/dbraw/zinc/47/15/33/413471533.db2.gz GLZJWYPOBPDWSA-GOSISDBHSA-N 2 0 288.435 2.655 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c(C)s1 ZINC000020128542 171015456 /nfs/dbraw/zinc/01/54/56/171015456.db2.gz BTUUGTSKHPFATC-AWEZNQCLSA-N 2 0 295.496 2.653 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000020129068 171016423 /nfs/dbraw/zinc/01/64/23/171016423.db2.gz VPDCIXHEEBSMPO-HNNXBMFYSA-N 2 0 276.424 2.789 20 0 CFADRP CC(C)[NH+]1CCC(NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000020143115 171028800 /nfs/dbraw/zinc/02/88/00/171028800.db2.gz ACBGOUCXJBCWED-UHFFFAOYSA-N 2 0 281.488 2.758 20 0 CFADRP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1 ZINC000020146218 171032415 /nfs/dbraw/zinc/03/24/15/171032415.db2.gz GGZKETYEVUJQJS-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC1CC[NH+](CCC[NH2+]Cc2cccs2)CC1 ZINC000020146241 171032866 /nfs/dbraw/zinc/03/28/66/171032866.db2.gz QVOWDFJEZUHJGM-UHFFFAOYSA-N 2 0 252.427 2.960 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000020147534 171034390 /nfs/dbraw/zinc/03/43/90/171034390.db2.gz RBXRPNSOMVAKKL-OAHLLOKOSA-N 2 0 295.496 2.813 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824124 533679387 /nfs/dbraw/zinc/67/93/87/533679387.db2.gz AFTUAIKLHWIFQD-UONOGXRCSA-N 2 0 264.388 2.736 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(C)c1 ZINC000657347581 413478671 /nfs/dbraw/zinc/47/86/71/413478671.db2.gz CCMDRXWDGYWKKU-OAHLLOKOSA-N 2 0 274.408 2.720 20 0 CFADRP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660671052 413488751 /nfs/dbraw/zinc/48/87/51/413488751.db2.gz LIXBPRSVMPGTAQ-CVEARBPZSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000660697002 413504312 /nfs/dbraw/zinc/50/43/12/413504312.db2.gz RZPUUNBQGOYUNA-SJORKVTESA-N 2 0 296.499 2.885 20 0 CFADRP CCCn1nccc1C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000657377430 413523793 /nfs/dbraw/zinc/52/37/93/413523793.db2.gz UAAXTWJGKOUGQQ-UHFFFAOYSA-N 2 0 278.444 2.505 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000657385225 413536137 /nfs/dbraw/zinc/53/61/37/413536137.db2.gz SRJHFHOBHZQZMO-WBVHZDCISA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000651639543 413537378 /nfs/dbraw/zinc/53/73/78/413537378.db2.gz FGNYYTIGEAKHCS-AWEZNQCLSA-N 2 0 258.409 2.559 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCCO1 ZINC000653874810 413556786 /nfs/dbraw/zinc/55/67/86/413556786.db2.gz LDOJWKGNVCQOPA-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676866 413560335 /nfs/dbraw/zinc/56/03/35/413560335.db2.gz QFQDVYORDDWTGU-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000651706869 413581227 /nfs/dbraw/zinc/58/12/27/413581227.db2.gz QGTQAQPAKKYWPS-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651732339 413598256 /nfs/dbraw/zinc/59/82/56/413598256.db2.gz RROICFIQPKFNBW-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000651733863 413599716 /nfs/dbraw/zinc/59/97/16/413599716.db2.gz VHLZCFUQJPTBEZ-SPUZQDLCSA-N 2 0 294.483 2.923 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3cnccc3o2)C1 ZINC000651811518 413656050 /nfs/dbraw/zinc/65/60/50/413656050.db2.gz SBIIOVBQUNQMKD-CJNGLKHVSA-N 2 0 285.391 2.744 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657439323 413609421 /nfs/dbraw/zinc/60/94/21/413609421.db2.gz BANAKZMQTRIJAF-GJZGRUSLSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753009 413614162 /nfs/dbraw/zinc/61/41/62/413614162.db2.gz AVPIRPFKPIOBKK-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CC(OC(C)C)C1 ZINC000651865730 413684733 /nfs/dbraw/zinc/68/47/33/413684733.db2.gz GCGYRAHFSGRAIT-UHFFFAOYSA-N 2 0 256.434 2.510 20 0 CFADRP COCc1csc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000657495248 413685827 /nfs/dbraw/zinc/68/58/27/413685827.db2.gz UWWOHOKBZZMIDZ-UHFFFAOYSA-N 2 0 282.453 2.857 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000651865957 413686617 /nfs/dbraw/zinc/68/66/17/413686617.db2.gz OGKOBXCPKHYQQF-HZPDHXFCSA-N 2 0 270.461 2.758 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000657494979 413687139 /nfs/dbraw/zinc/68/71/39/413687139.db2.gz FJICCVYMKPQXSL-YOEHRIQHSA-N 2 0 297.402 2.731 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[NH+](C)C[C@H]1C)C1CCCCC1 ZINC000651910371 413709884 /nfs/dbraw/zinc/70/98/84/413709884.db2.gz QRLGRQVCZPLHAO-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@H+](CCC[NH2+]CC1(C)COC1)C1CCCCC1 ZINC000651978721 413753625 /nfs/dbraw/zinc/75/36/25/413753625.db2.gz ALQGFNVJKFXOJY-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCC1 ZINC000657596473 413779439 /nfs/dbraw/zinc/77/94/39/413779439.db2.gz NLALKIBTLPDKMY-KRWDZBQOSA-N 2 0 288.435 2.533 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCc1ccco1 ZINC000657782415 413923294 /nfs/dbraw/zinc/92/32/94/413923294.db2.gz LDRHVGDOMSOMPB-UHFFFAOYSA-N 2 0 296.374 2.891 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423143976 298885461 /nfs/dbraw/zinc/88/54/61/298885461.db2.gz FUHWAHPXXGSGMD-QJPTWQEYSA-N 2 0 250.411 2.591 20 0 CFADRP Cc1ccncc1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000664804227 413951115 /nfs/dbraw/zinc/95/11/15/413951115.db2.gz VEMYZGKZRGHJAR-LQDVMPOASA-N 2 0 298.390 2.704 20 0 CFADRP c1ccc2c(c1)CCC1(CC[NH+](C[C@H]3CC[NH2+]C3)CC1)C2 ZINC000652344466 413900836 /nfs/dbraw/zinc/90/08/36/413900836.db2.gz JFJXZWRSDYGMIB-INIZCTEOSA-N 2 0 284.447 2.867 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353455 413901141 /nfs/dbraw/zinc/90/11/41/413901141.db2.gz KHAOLWCKUDNCCW-OLZOCXBDSA-N 2 0 278.827 2.911 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC000652348274 413902558 /nfs/dbraw/zinc/90/25/58/413902558.db2.gz ZTIFNBWSUKGMQF-BRWVUGGUSA-N 2 0 280.456 2.785 20 0 CFADRP OCCC[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652343676 413902731 /nfs/dbraw/zinc/90/27/31/413902731.db2.gz DIGICLYQBIGDSJ-UHFFFAOYSA-N 2 0 290.451 2.651 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353457 413904493 /nfs/dbraw/zinc/90/44/93/413904493.db2.gz KHAOLWCKUDNCCW-STQMWFEESA-N 2 0 278.827 2.911 20 0 CFADRP CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361052 413908178 /nfs/dbraw/zinc/90/81/78/413908178.db2.gz XBDMIQJMESTJOQ-RBSFLKMASA-N 2 0 254.418 2.537 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364571 413912143 /nfs/dbraw/zinc/91/21/43/413912143.db2.gz ZTKDKYHLZJACGX-KGLIPLIRSA-N 2 0 276.399 2.787 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc2cnccc2o1 ZINC000657857932 414007852 /nfs/dbraw/zinc/00/78/52/414007852.db2.gz DLDXTBJXVWYJMH-GFCCVEGCSA-N 2 0 261.369 2.820 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657875383 414020661 /nfs/dbraw/zinc/02/06/61/414020661.db2.gz DHXNAOBKJQYGMD-APIJFGDWSA-N 2 0 250.430 2.743 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000657874012 414017162 /nfs/dbraw/zinc/01/71/62/414017162.db2.gz XOWHHVZHMQJUGS-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)n1nccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813745 413960691 /nfs/dbraw/zinc/96/06/91/413960691.db2.gz ZFJNWFMBQRYCRI-UHFFFAOYSA-N 2 0 290.455 2.676 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000657827748 413979104 /nfs/dbraw/zinc/97/91/04/413979104.db2.gz NQFIGBJPIINBLC-INIZCTEOSA-N 2 0 284.407 2.569 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657847140 414001630 /nfs/dbraw/zinc/00/16/30/414001630.db2.gz UQEDNKJJIMOYKP-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000285656583 196357663 /nfs/dbraw/zinc/35/76/63/196357663.db2.gz MPACYBLFOWAIDK-SFHVURJKSA-N 2 0 289.467 2.673 20 0 CFADRP C[C@H]([NH2+]CCc1cccs1)C1CC[NH+](C)CC1 ZINC000037210066 173031836 /nfs/dbraw/zinc/03/18/36/173031836.db2.gz ZRKCILHHOUBUGP-LBPRGKRZSA-N 2 0 252.427 2.611 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037408350 173185076 /nfs/dbraw/zinc/18/50/76/173185076.db2.gz NNBMHGGIEXIBBU-LBPRGKRZSA-N 2 0 250.411 2.630 20 0 CFADRP CCC[N@H+](Cc1ccccc1OC)C1CC[NH2+]CC1 ZINC000037539204 173260515 /nfs/dbraw/zinc/26/05/15/173260515.db2.gz MWASTWSIGDFDCX-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc2cnccc2o1 ZINC000658046832 414128949 /nfs/dbraw/zinc/12/89/49/414128949.db2.gz MYCCFEFNWJKWGD-SGMGOOAPSA-N 2 0 273.380 2.819 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc32)[C@@H](C)C1 ZINC000658067035 414152103 /nfs/dbraw/zinc/15/21/03/414152103.db2.gz RJYFZNJJWBZANL-ZFWWWQNUSA-N 2 0 287.407 2.690 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccco1 ZINC000658070023 414153654 /nfs/dbraw/zinc/15/36/54/414153654.db2.gz SRMXGZBTZLDZTR-AWEZNQCLSA-N 2 0 292.423 2.821 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2noc3ccccc32)[C@H](C)C1 ZINC000658067034 414153863 /nfs/dbraw/zinc/15/38/63/414153863.db2.gz RJYFZNJJWBZANL-UKRRQHHQSA-N 2 0 287.407 2.690 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)C ZINC000658067894 414154718 /nfs/dbraw/zinc/15/47/18/414154718.db2.gz RHPRSRUTJIDBLG-AWEZNQCLSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657989073 414095348 /nfs/dbraw/zinc/09/53/48/414095348.db2.gz FCHQTWQJWOQQRL-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C(F)F ZINC000658029164 414113633 /nfs/dbraw/zinc/11/36/33/414113633.db2.gz HIOSXYCJAYZABF-YEJSDXFRSA-N 2 0 260.372 2.881 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(C)(C)C(F)F ZINC000658033888 414119591 /nfs/dbraw/zinc/11/95/91/414119591.db2.gz CDMSGDBRWTZKMY-NEPJUHHUSA-N 2 0 262.388 2.988 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2ccccc21 ZINC000665264621 414220555 /nfs/dbraw/zinc/22/05/55/414220555.db2.gz DVGUFEFJXSBHGZ-IRXDYDNUSA-N 2 0 285.435 2.970 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665265360 414221839 /nfs/dbraw/zinc/22/18/39/414221839.db2.gz WGKBWXSRUKSLBG-IACUBPJLSA-N 2 0 268.351 2.580 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000665265571 414221874 /nfs/dbraw/zinc/22/18/74/414221874.db2.gz YMZWEWAQVIFROZ-WMLDXEAASA-N 2 0 285.435 2.828 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1(F)F ZINC000665267311 414227550 /nfs/dbraw/zinc/22/75/50/414227550.db2.gz UKYUGTWYQHMMQA-REWJHTLYSA-N 2 0 272.383 2.932 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000665272780 414229795 /nfs/dbraw/zinc/22/97/95/414229795.db2.gz LIZVXCOHOIHPPP-YSVLISHTSA-N 2 0 276.424 2.572 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)C ZINC000658143577 414231957 /nfs/dbraw/zinc/23/19/57/414231957.db2.gz IAQANYYJKVMNDZ-MSOLQXFVSA-N 2 0 290.451 2.777 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)C ZINC000658143581 414233378 /nfs/dbraw/zinc/23/33/78/414233378.db2.gz IAQANYYJKVMNDZ-ROUUACIJSA-N 2 0 290.451 2.777 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nsc3ccccc32)C1 ZINC000665276124 414234483 /nfs/dbraw/zinc/23/44/83/414234483.db2.gz YVWLLIZJZVVTKG-NWDGAFQWSA-N 2 0 275.421 2.698 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658088834 414179176 /nfs/dbraw/zinc/17/91/76/414179176.db2.gz WCCSEJXOZZXOPM-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665234915 414191309 /nfs/dbraw/zinc/19/13/09/414191309.db2.gz MGSMCKPDNYOMLQ-KCXAZCMYSA-N 2 0 264.388 2.877 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000665236067 414192253 /nfs/dbraw/zinc/19/22/53/414192253.db2.gz GRCJTKNJYMTNBL-LUKYLMHMSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665238137 414197046 /nfs/dbraw/zinc/19/70/46/414197046.db2.gz RGQCZMNXYJBSIS-YPMHNXCESA-N 2 0 296.377 2.984 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC1([NH3+])CCCC1 ZINC000665246353 414204647 /nfs/dbraw/zinc/20/46/47/414204647.db2.gz CNQDPBUFHDSDHN-AWEZNQCLSA-N 2 0 261.413 2.654 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1C ZINC000665245786 414205353 /nfs/dbraw/zinc/20/53/53/414205353.db2.gz REUMCRUSHYLREQ-RHSMWYFYSA-N 2 0 260.425 2.824 20 0 CFADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000665246876 414205372 /nfs/dbraw/zinc/20/53/72/414205372.db2.gz PZPCUQCECYLNSR-SJPCQFCGSA-N 2 0 258.409 2.719 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC1 ZINC000665262938 414217411 /nfs/dbraw/zinc/21/74/11/414217411.db2.gz CITGKWWWZIUUJM-STCOUPBVSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665261595 414218333 /nfs/dbraw/zinc/21/83/33/414218333.db2.gz HHXSPGCHZKBNEF-TUAOUCFPSA-N 2 0 284.350 2.592 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(C)CC1(F)F ZINC000665265722 414219980 /nfs/dbraw/zinc/21/99/80/414219980.db2.gz ZVKIFEAYUCWOLX-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]CCc1cn(C)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000665265055 414220008 /nfs/dbraw/zinc/22/00/08/414220008.db2.gz OKWBHUZKFQHQJE-WMLDXEAASA-N 2 0 285.435 2.841 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665279477 414242295 /nfs/dbraw/zinc/24/22/95/414242295.db2.gz CZFGPLQUJZTAHG-MLGOLLRUSA-N 2 0 277.412 2.669 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000665280812 414243214 /nfs/dbraw/zinc/24/32/14/414243214.db2.gz MHAJBUKCHSZZJI-RYQLBKOJSA-N 2 0 289.467 2.612 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000665280548 414243664 /nfs/dbraw/zinc/24/36/64/414243664.db2.gz FVYLTOOBYHNRAG-UKRRQHHQSA-N 2 0 263.429 2.777 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000665280725 414243866 /nfs/dbraw/zinc/24/38/66/414243866.db2.gz JTTGHRFBDBVCNI-CABCVRRESA-N 2 0 268.351 2.915 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281341 414243989 /nfs/dbraw/zinc/24/39/89/414243989.db2.gz ZWJTYRRMLHYVIZ-CABCVRRESA-N 2 0 262.397 2.646 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000665281330 414244679 /nfs/dbraw/zinc/24/46/79/414244679.db2.gz ZRXUZGCQFIYPJR-SWLSCSKDSA-N 2 0 281.419 2.916 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)C1CCCCC1 ZINC000665283128 414248958 /nfs/dbraw/zinc/24/89/58/414248958.db2.gz HUKKZHNFGQXUAD-HIFRSBDPSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCOC[C@H]1[C@H](C)[NH3+])C1CCCCC1 ZINC000665282818 414249216 /nfs/dbraw/zinc/24/92/16/414249216.db2.gz CHOYRMGEEPRCFG-SDADXPQNSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000665281804 414249269 /nfs/dbraw/zinc/24/92/69/414249269.db2.gz LBZBOZJGVATQIS-CABCVRRESA-N 2 0 265.376 2.635 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CC2 ZINC000665282483 414249669 /nfs/dbraw/zinc/24/96/69/414249669.db2.gz ZCPGELHVPNTISE-HUUCEWRRSA-N 2 0 292.423 2.654 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661835906 414250558 /nfs/dbraw/zinc/25/05/58/414250558.db2.gz AXWCJCRIOUNAIP-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283692 414254961 /nfs/dbraw/zinc/25/49/61/414254961.db2.gz SFOKUAYTXTUZDU-ADNWXIBMSA-N 2 0 280.456 2.687 20 0 CFADRP CC1(C)C[C@]1(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000665300979 414271504 /nfs/dbraw/zinc/27/15/04/414271504.db2.gz LKHTWMNLXGMCIT-UXLLHSPISA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC[N@@H+]1C ZINC000658205683 414280629 /nfs/dbraw/zinc/28/06/29/414280629.db2.gz DTCZMADMGWRSFA-DKIMLUQUSA-N 2 0 288.435 2.631 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC[N@@H+]1C ZINC000658205685 414281826 /nfs/dbraw/zinc/28/18/26/414281826.db2.gz DTCZMADMGWRSFA-SPUZQDLCSA-N 2 0 288.435 2.631 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1CCC(F)CC1 ZINC000662001457 414353319 /nfs/dbraw/zinc/35/33/19/414353319.db2.gz NJBNEMQAISJCOW-PPWQZUPISA-N 2 0 256.409 2.977 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000655688695 414362289 /nfs/dbraw/zinc/36/22/89/414362289.db2.gz AWQMEHKHORNNQU-QGZVFWFLSA-N 2 0 290.451 2.849 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655690657 414365652 /nfs/dbraw/zinc/36/56/52/414365652.db2.gz HMIVPSNZZNMZSV-JKSUJKDBSA-N 2 0 290.455 2.962 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000655694937 414370141 /nfs/dbraw/zinc/37/01/41/414370141.db2.gz MPKUZWYBRXAXGQ-IUODEOHRSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000658317815 414372608 /nfs/dbraw/zinc/37/26/08/414372608.db2.gz MYJHBPWUUBPFLV-QWHCGFSZSA-N 2 0 289.448 2.911 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655698464 414373824 /nfs/dbraw/zinc/37/38/24/414373824.db2.gz FEIYZKIJUZCTRX-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@@H]2CCC[C@H]21 ZINC000658324708 414377180 /nfs/dbraw/zinc/37/71/80/414377180.db2.gz CGWIDAJHUUFLKE-HRCADAONSA-N 2 0 262.397 2.675 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCn3ccnc32)c1 ZINC000655714446 414384008 /nfs/dbraw/zinc/38/40/08/414384008.db2.gz DOTVSLDOSJOASE-QGZVFWFLSA-N 2 0 298.434 2.960 20 0 CFADRP c1c(C[NH2+]CCCCC[NH+]2CCCC2)nn2c1CCCC2 ZINC000655776608 414427463 /nfs/dbraw/zinc/42/74/63/414427463.db2.gz KJLVDEXPWZWPJO-UHFFFAOYSA-N 2 0 290.455 2.575 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CCCCC1 ZINC000662149448 414431297 /nfs/dbraw/zinc/43/12/97/414431297.db2.gz PCBQNKDZOIAKLV-MAUKXSAKSA-N 2 0 294.483 2.734 20 0 CFADRP CC1(C)CCC(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000662153178 414435947 /nfs/dbraw/zinc/43/59/47/414435947.db2.gz PEYVFGLRAUENAE-QGZVFWFLSA-N 2 0 294.483 2.734 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000655804020 414449025 /nfs/dbraw/zinc/44/90/25/414449025.db2.gz LZDKFATXOMKXQF-BYNSBNAKSA-N 2 0 256.409 2.835 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000655803908 414449087 /nfs/dbraw/zinc/44/90/87/414449087.db2.gz HSWLOVDGHAATAP-NQNKBUKLSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cnn1C(C)(C)C ZINC000655804262 414449185 /nfs/dbraw/zinc/44/91/85/414449185.db2.gz RERAVNIOIBGPLQ-YUELXQCFSA-N 2 0 292.471 2.937 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655804750 414449226 /nfs/dbraw/zinc/44/92/26/414449226.db2.gz AGVWQKFHSIVYQP-QXSJWSMHSA-N 2 0 282.472 2.756 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000655804022 414449372 /nfs/dbraw/zinc/44/93/72/414449372.db2.gz LZDKFATXOMKXQF-XQLPTFJDSA-N 2 0 256.409 2.835 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000655805531 414450815 /nfs/dbraw/zinc/45/08/15/414450815.db2.gz IPFQBYKPVPLOEO-GMXVVIOVSA-N 2 0 268.351 2.956 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000655806001 414451602 /nfs/dbraw/zinc/45/16/02/414451602.db2.gz WGYAHFLUABYFOP-RWSFTLGLSA-N 2 0 280.362 2.882 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000655825612 414462411 /nfs/dbraw/zinc/46/24/11/414462411.db2.gz KBJBOJNOIJQPKM-XBXGTLAGSA-N 2 0 252.789 2.770 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000655827017 414464268 /nfs/dbraw/zinc/46/42/68/414464268.db2.gz MYPCMDPIHKBFQK-JGZJWPJOSA-N 2 0 258.818 2.831 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827301 414464747 /nfs/dbraw/zinc/46/47/47/414464747.db2.gz QVUZWPIDGZTWHC-JNSHFYNHSA-N 2 0 250.361 2.564 20 0 CFADRP CO[C@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)C1CCCCC1 ZINC000662233082 414465788 /nfs/dbraw/zinc/46/57/88/414465788.db2.gz ACQHKEZRBILZCR-QGZVFWFLSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000655832815 414466396 /nfs/dbraw/zinc/46/63/96/414466396.db2.gz AGGURZTVXSJKJS-CAOSSQGBSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCOC1 ZINC000658357632 414400351 /nfs/dbraw/zinc/40/03/51/414400351.db2.gz UUNPUYJBBYPKBI-WMLDXEAASA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662243483 414472244 /nfs/dbraw/zinc/47/22/44/414472244.db2.gz CIPCHAMKYCWZLD-CHWSQXEVSA-N 2 0 289.448 2.898 20 0 CFADRP COc1cccc(SCC[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000662246815 414474211 /nfs/dbraw/zinc/47/42/11/414474211.db2.gz SEDYIQCUMGESAQ-ZDUSSCGKSA-N 2 0 294.464 2.847 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662251970 414475495 /nfs/dbraw/zinc/47/54/95/414475495.db2.gz HDUNZTKEGYEKNZ-WMZOPIPTSA-N 2 0 298.430 2.659 20 0 CFADRP CC(C)CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662252542 414475677 /nfs/dbraw/zinc/47/56/77/414475677.db2.gz PYAWDSDXIZRVIW-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249542 414476765 /nfs/dbraw/zinc/47/67/65/414476765.db2.gz WOYYBLQDEOJGKI-SJORKVTESA-N 2 0 286.419 2.653 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250224 414477693 /nfs/dbraw/zinc/47/76/93/414477693.db2.gz BAMMRYNJOUCFGD-SJORKVTESA-N 2 0 286.419 2.653 20 0 CFADRP CO[C@@H](C)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000662256773 414478665 /nfs/dbraw/zinc/47/86/65/414478665.db2.gz NZLMJPDTUDFHQF-AWEZNQCLSA-N 2 0 276.424 2.578 20 0 CFADRP C([C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662254188 414479839 /nfs/dbraw/zinc/47/98/39/414479839.db2.gz NLGFDOBJOIRGTB-IAGOWNOFSA-N 2 0 292.467 2.942 20 0 CFADRP COC1CCC([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662255971 414479856 /nfs/dbraw/zinc/47/98/56/414479856.db2.gz SZBPVOABPZIXGV-UHFFFAOYSA-N 2 0 288.435 2.722 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCCO1 ZINC000655849882 414479925 /nfs/dbraw/zinc/47/99/25/414479925.db2.gz QJEWTNXKUFSPGP-JKSUJKDBSA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@@H](CC(F)F)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000662264801 414480971 /nfs/dbraw/zinc/48/09/71/414480971.db2.gz MHJQNCNUJSSCER-LBPRGKRZSA-N 2 0 262.388 2.989 20 0 CFADRP CC(C)CCC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258580 414482699 /nfs/dbraw/zinc/48/26/99/414482699.db2.gz KOPJOETXLXNDSH-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662267894 414484433 /nfs/dbraw/zinc/48/44/33/414484433.db2.gz ZUPFJEICUBEOPB-FUHWJXTLSA-N 2 0 270.420 2.792 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662273420 414488375 /nfs/dbraw/zinc/48/83/75/414488375.db2.gz WMKOBJKEHMWTCY-HNNXBMFYSA-N 2 0 275.421 2.510 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276031 414490399 /nfs/dbraw/zinc/49/03/99/414490399.db2.gz IPVYZWWOJCKIBU-OVYGPGRDSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655936638 414492920 /nfs/dbraw/zinc/49/29/20/414492920.db2.gz JILGWUNNAWAILV-GFCCVEGCSA-N 2 0 282.378 2.957 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cncc(F)c1 ZINC000662279589 414493417 /nfs/dbraw/zinc/49/34/17/414493417.db2.gz AGDKFDSJWMWQHS-LBPRGKRZSA-N 2 0 285.366 2.717 20 0 CFADRP C(C1CCCC1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284643 414494567 /nfs/dbraw/zinc/49/45/67/414494567.db2.gz OGBPISQCAOEVEO-CVEARBPZSA-N 2 0 278.440 2.552 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCC2CCC2)C1 ZINC000662283290 414494990 /nfs/dbraw/zinc/49/49/90/414494990.db2.gz HBXOWZOARCKUHH-ZACQAIPSSA-N 2 0 280.456 2.928 20 0 CFADRP Cc1ccccc1[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662283180 414495648 /nfs/dbraw/zinc/49/56/48/414495648.db2.gz RUJIXUYQPKPRCA-NVXWUHKLSA-N 2 0 288.435 2.803 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662282225 414495789 /nfs/dbraw/zinc/49/57/89/414495789.db2.gz DNRHJCPYLOXDOI-DJIMGWMZSA-N 2 0 258.409 2.966 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC2CCC2)C1 ZINC000662284781 414495847 /nfs/dbraw/zinc/49/58/47/414495847.db2.gz PHSHEEADCSNMIB-OAGGEKHMSA-N 2 0 266.429 2.537 20 0 CFADRP Cc1ncsc1CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293744 414497853 /nfs/dbraw/zinc/49/78/53/414497853.db2.gz SXBZMZSUEKUKCL-OAHLLOKOSA-N 2 0 293.480 2.706 20 0 CFADRP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662285182 414497955 /nfs/dbraw/zinc/49/79/55/414497955.db2.gz ZBZLRASFJUEHOS-BZUAXINKSA-N 2 0 266.429 2.704 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295694 414498550 /nfs/dbraw/zinc/49/85/50/414498550.db2.gz WLOUPAFQICQVHU-MXASKKJJSA-N 2 0 262.441 2.744 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C1CCC1 ZINC000662295198 414499826 /nfs/dbraw/zinc/49/98/26/414499826.db2.gz UEPJEWKIWBMXCO-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP COc1ccc([C@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1F ZINC000662305249 414500777 /nfs/dbraw/zinc/50/07/77/414500777.db2.gz FXBFKCAUMZMRMR-IUODEOHRSA-N 2 0 278.371 2.581 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000662312619 414504342 /nfs/dbraw/zinc/50/43/42/414504342.db2.gz IQBSPLWTDMFLPU-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662311308 414504355 /nfs/dbraw/zinc/50/43/55/414504355.db2.gz AVZXTKQIEMDKDW-CHWSQXEVSA-N 2 0 296.377 2.795 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662321357 414505310 /nfs/dbraw/zinc/50/53/10/414505310.db2.gz HMMIHWZIXFFGME-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662316152 414505773 /nfs/dbraw/zinc/50/57/73/414505773.db2.gz IYUBINZHTWYCLH-ZBFHGGJFSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317927 414505833 /nfs/dbraw/zinc/50/58/33/414505833.db2.gz UCWPFRWKJAVOMV-KRWDZBQOSA-N 2 0 276.424 2.538 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662317486 414505977 /nfs/dbraw/zinc/50/59/77/414505977.db2.gz PYPJLZUKFYBHFM-SJLPKXTDSA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C1 ZINC000656193536 414529830 /nfs/dbraw/zinc/52/98/30/414529830.db2.gz MBUFICBBPYPHDI-OAGGEKHMSA-N 2 0 273.424 2.663 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193181 414530945 /nfs/dbraw/zinc/53/09/45/414530945.db2.gz XYAHFQMLVMYNEU-CHWSQXEVSA-N 2 0 268.788 2.708 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656196038 414531954 /nfs/dbraw/zinc/53/19/54/414531954.db2.gz UXAKNORUBKPXHD-USXIJHARSA-N 2 0 289.467 2.975 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 ZINC000656196758 414532137 /nfs/dbraw/zinc/53/21/37/414532137.db2.gz FDKXOJJXXAYAEL-LTIDMASMSA-N 2 0 292.398 2.905 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656196924 414532382 /nfs/dbraw/zinc/53/23/82/414532382.db2.gz WGKDEZQVZMUGBM-UONOGXRCSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656196857 414532829 /nfs/dbraw/zinc/53/28/29/414532829.db2.gz PTJAYDJXJGCJBW-KGLIPLIRSA-N 2 0 264.438 2.947 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000656201062 414534074 /nfs/dbraw/zinc/53/40/74/414534074.db2.gz JGIYBQCFVDTZRE-JLZZUVOBSA-N 2 0 267.376 2.747 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@@H]1CCCCO1 ZINC000656202187 414536479 /nfs/dbraw/zinc/53/64/79/414536479.db2.gz ZVZKFSSLIXSMFL-COXVUDFISA-N 2 0 291.439 2.847 20 0 CFADRP Cc1occc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656485934 414590963 /nfs/dbraw/zinc/59/09/63/414590963.db2.gz SJYLSIBBXYSSAC-UHFFFAOYSA-N 2 0 271.364 2.742 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3COC(C)(C)C3)C2)CC1 ZINC000659864271 414594905 /nfs/dbraw/zinc/59/49/05/414594905.db2.gz LAEVQMSUHBZRIQ-SJORKVTESA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(C[C@H]2[NH2+]Cc3ccccc32)n1 ZINC000656560434 414608223 /nfs/dbraw/zinc/60/82/23/414608223.db2.gz XSEBSKJVVGYBAT-UONOGXRCSA-N 2 0 286.379 2.503 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000659927246 414616848 /nfs/dbraw/zinc/61/68/48/414616848.db2.gz PKQTXDZPTMNMKJ-IAGOWNOFSA-N 2 0 280.456 2.510 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000659930516 414619156 /nfs/dbraw/zinc/61/91/56/414619156.db2.gz CYQWNQCXHMTRPG-SZMVWBNQSA-N 2 0 290.451 2.566 20 0 CFADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCCC1 ZINC000659842942 414581575 /nfs/dbraw/zinc/58/15/75/414581575.db2.gz IUPJQXVPLBDIKI-GOSISDBHSA-N 2 0 294.483 2.999 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038041071 174041199 /nfs/dbraw/zinc/04/11/99/174041199.db2.gz ZTAQYLZZZGIYKY-NSHDSACASA-N 2 0 250.411 2.811 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000414881753 287288370 /nfs/dbraw/zinc/28/83/70/287288370.db2.gz SQSWHCXAIDUDKN-ZBFHGGJFSA-N 2 0 279.472 2.501 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000660010150 414649752 /nfs/dbraw/zinc/64/97/52/414649752.db2.gz GIIYSPNILVAZCW-YESZJQIVSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC000659982237 414640312 /nfs/dbraw/zinc/64/03/12/414640312.db2.gz IDZMLTLLXPJLFO-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC2CCC2)C1 ZINC000659980064 414641032 /nfs/dbraw/zinc/64/10/32/414641032.db2.gz QBBUEVLOCWEKCJ-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)[C@H]1[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCCC2 ZINC000656700983 414643218 /nfs/dbraw/zinc/64/32/18/414643218.db2.gz YMNIYBPILCEULV-JKSUJKDBSA-N 2 0 282.472 2.588 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CCCCC2)C1 ZINC000659989428 414643416 /nfs/dbraw/zinc/64/34/16/414643416.db2.gz KXTXGAVJVDOSCR-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCC2)[C@@H](C)C1 ZINC000660082153 414660049 /nfs/dbraw/zinc/66/00/49/414660049.db2.gz KXJXTPHUKRPMHU-XIRDDKMYSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC3CCC3)CC2)CC1 ZINC000660108145 414664104 /nfs/dbraw/zinc/66/41/04/414664104.db2.gz UMDHYFPOAYRWAI-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP CC1(C)C[C@H]([N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CO1 ZINC000660116075 414664402 /nfs/dbraw/zinc/66/44/02/414664402.db2.gz VAANYEVGBFVECK-KBMXLJTQSA-N 2 0 278.440 2.503 20 0 CFADRP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CO1 ZINC000660116077 414665142 /nfs/dbraw/zinc/66/51/42/414665142.db2.gz VAANYEVGBFVECK-VNQPRFMTSA-N 2 0 278.440 2.503 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000040620707 174355112 /nfs/dbraw/zinc/35/51/12/174355112.db2.gz DCPLMFJZLAKWJC-CQSZACIVSA-N 2 0 250.361 2.646 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040622652 174355701 /nfs/dbraw/zinc/35/57/01/174355701.db2.gz LZUGMLJTADRTPA-RDJZCZTQSA-N 2 0 290.451 2.946 20 0 CFADRP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347725 414677720 /nfs/dbraw/zinc/67/77/20/414677720.db2.gz UAXVLCITTZNXMH-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663345376 414678044 /nfs/dbraw/zinc/67/80/44/414678044.db2.gz JEPIUDOAPIRSAF-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000042167688 174649693 /nfs/dbraw/zinc/64/96/93/174649693.db2.gz UYLSOOAZXAFTJS-OAHLLOKOSA-N 2 0 289.423 2.609 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2sccc2Br)CC1 ZINC000043675796 175088251 /nfs/dbraw/zinc/08/82/51/175088251.db2.gz HUEWJEOINCWCEE-UHFFFAOYSA-N 2 0 289.242 2.681 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044516142 175189862 /nfs/dbraw/zinc/18/98/62/175189862.db2.gz QYDFJWUJUSLARE-ZDUSSCGKSA-N 2 0 289.423 2.637 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515601 175190143 /nfs/dbraw/zinc/19/01/43/175190143.db2.gz JBTPYALKDKCFEK-AWEZNQCLSA-N 2 0 276.424 2.996 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000044517529 175190448 /nfs/dbraw/zinc/19/04/48/175190448.db2.gz QWOVDNIHKDYMIX-CYBMUJFWSA-N 2 0 290.407 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534404 175197504 /nfs/dbraw/zinc/19/75/04/175197504.db2.gz RCYBFHPUZLSZJV-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534402 175197630 /nfs/dbraw/zinc/19/76/30/175197630.db2.gz RCYBFHPUZLSZJV-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169618 175876592 /nfs/dbraw/zinc/87/65/92/175876592.db2.gz FDRACIWOXCIXTN-CYBMUJFWSA-N 2 0 250.361 2.695 20 0 CFADRP c1cn(-c2ccc(C[NH2+]C[C@H]3CC34CC4)cc2)cn1 ZINC000418101050 228050389 /nfs/dbraw/zinc/05/03/89/228050389.db2.gz SDFIVFMPUBTGLI-CQSZACIVSA-N 2 0 253.349 2.762 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000400987779 420503581 /nfs/dbraw/zinc/50/35/81/420503581.db2.gz XBRHNWAMOAMBJI-RRFJBIMHSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400998743 420502400 /nfs/dbraw/zinc/50/24/00/420502400.db2.gz ALELSWLYRJLLHI-UMVBOHGHSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000517390278 260175562 /nfs/dbraw/zinc/17/55/62/260175562.db2.gz FTXDDRYKQPPSSI-CABCVRRESA-N 2 0 262.397 2.623 20 0 CFADRP O[C@@H](C[NH2+][C@H]1CCCC12CCCCC2)C[NH+]1CCCC1 ZINC000312986532 260227943 /nfs/dbraw/zinc/22/79/43/260227943.db2.gz GBCGCRFQTUSYNP-HOTGVXAUSA-N 2 0 280.456 2.536 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093212948 260273143 /nfs/dbraw/zinc/27/31/43/260273143.db2.gz WRCKBXLQWCYWFW-RWMBFGLXSA-N 2 0 278.396 2.624 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)CCCO1 ZINC000313388922 260290972 /nfs/dbraw/zinc/29/09/72/260290972.db2.gz LUXPZYWYQCZEEM-IBGZPJMESA-N 2 0 296.414 2.903 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1OCCc2sccc21 ZINC000521068154 260373208 /nfs/dbraw/zinc/37/32/08/260373208.db2.gz NSMQELYLTMUAKJ-OHTBPHCPSA-N 2 0 280.437 2.610 20 0 CFADRP CSC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161636714 261103175 /nfs/dbraw/zinc/10/31/75/261103175.db2.gz HHFKIFPDTRDYLJ-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000390228438 262160427 /nfs/dbraw/zinc/16/04/27/262160427.db2.gz DOXDKZQCQVTCLP-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)CN1C1CC1 ZINC000390566196 262218891 /nfs/dbraw/zinc/21/88/91/262218891.db2.gz BMZZDJWWEVDEQU-GRYCIOLGSA-N 2 0 258.356 2.637 20 0 CFADRP [NH3+]CC1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000020267150 262244562 /nfs/dbraw/zinc/24/45/62/262244562.db2.gz BBDCGMYIZIWOSN-UHFFFAOYSA-N 2 0 284.403 2.889 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC(C)(C)CO ZINC000393411453 262347369 /nfs/dbraw/zinc/34/73/69/262347369.db2.gz ZFSHPPVPNUNWTA-LSDHHAIUSA-N 2 0 270.461 2.686 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000391116888 262381876 /nfs/dbraw/zinc/38/18/76/262381876.db2.gz JEUGGAGSNIEMAT-ZIAGYGMSSA-N 2 0 273.405 2.728 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2nccs2)c2ccccc21 ZINC000391137819 262383119 /nfs/dbraw/zinc/38/31/19/262383119.db2.gz PVKBGBMMSVVAMD-KBPBESRZSA-N 2 0 273.405 2.810 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(C)sc1C ZINC000234695685 522668944 /nfs/dbraw/zinc/66/89/44/522668944.db2.gz ACIQFYBUYUEAGI-YPMHNXCESA-N 2 0 270.442 2.769 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000514660661 266031431 /nfs/dbraw/zinc/03/14/31/266031431.db2.gz IAYAYXMBOQFVSD-CYBMUJFWSA-N 2 0 252.427 2.844 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000251570545 270273496 /nfs/dbraw/zinc/27/34/96/270273496.db2.gz AQZCKSBGPXCEDA-ZFWWWQNUSA-N 2 0 262.397 2.612 20 0 CFADRP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408427 270225792 /nfs/dbraw/zinc/22/57/92/270225792.db2.gz BJNNMQKPOFCLRW-UCRBLCQZSA-N 2 0 274.452 2.885 20 0 CFADRP CC(C)[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192742560 270234058 /nfs/dbraw/zinc/23/40/58/270234058.db2.gz RASZXEQQLLUJHV-GOSISDBHSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000192803119 270234660 /nfs/dbraw/zinc/23/46/60/270234660.db2.gz JXTNKBZJSZWBSW-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP C(C1CCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193077064 270236214 /nfs/dbraw/zinc/23/62/14/270236214.db2.gz HCZJCROOULELFW-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP CSCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000229581102 270259437 /nfs/dbraw/zinc/25/94/37/270259437.db2.gz FILRSYHTNUACMI-MELADBBJSA-N 2 0 258.475 2.838 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000250221025 270272774 /nfs/dbraw/zinc/27/27/74/270272774.db2.gz WHUXJHNYNJYTQZ-HUUCEWRRSA-N 2 0 292.423 2.666 20 0 CFADRP c1oc2ccccc2c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000258934603 270274357 /nfs/dbraw/zinc/27/43/57/270274357.db2.gz HHXXFFVIDSIKTD-ZDUSSCGKSA-N 2 0 258.365 2.912 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311948760 270288766 /nfs/dbraw/zinc/28/87/66/270288766.db2.gz XLGBVJYASXOZBP-AEGPPILISA-N 2 0 262.372 2.818 20 0 CFADRP FC(F)Oc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000315006709 270291715 /nfs/dbraw/zinc/29/17/15/270291715.db2.gz XECYTRSKRYNKTC-BETUJISGSA-N 2 0 296.361 2.719 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000314818265 270291911 /nfs/dbraw/zinc/29/19/11/270291911.db2.gz XVEHACZZPNRNBV-SJORKVTESA-N 2 0 288.435 2.614 20 0 CFADRP CC(C)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000315276213 270292820 /nfs/dbraw/zinc/29/28/20/270292820.db2.gz VIBBRGIBBSUHTH-CALCHBBNSA-N 2 0 288.435 2.905 20 0 CFADRP Cn1c2ccccc2nc1NCC[N@H+](C)Cc1ccccc1 ZINC000342709908 270302565 /nfs/dbraw/zinc/30/25/65/270302565.db2.gz NWWHYGBOCCGAAD-UHFFFAOYSA-N 2 0 294.402 2.539 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000360967246 270304693 /nfs/dbraw/zinc/30/46/93/270304693.db2.gz WFVOPJIWBKREOE-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000392256197 270306490 /nfs/dbraw/zinc/30/64/90/270306490.db2.gz KGSLMVIKFXYCHZ-STQMWFEESA-N 2 0 276.346 2.959 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(C)(C)O ZINC000393674338 270308405 /nfs/dbraw/zinc/30/84/05/270308405.db2.gz SUEZTNKCWGIRJW-KBPBESRZSA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000396406006 270315448 /nfs/dbraw/zinc/31/54/48/270315448.db2.gz DIQVYRTUSPAISM-INIZCTEOSA-N 2 0 289.467 2.581 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1C ZINC000397426406 270318221 /nfs/dbraw/zinc/31/82/21/270318221.db2.gz XUOZHAFVWMGNLA-INWMFGNUSA-N 2 0 276.424 2.809 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CSC[C@H]1C ZINC000397918031 270320358 /nfs/dbraw/zinc/32/03/58/270320358.db2.gz FQWPZHASNUVKAX-YIYPIFLZSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000397884294 270320491 /nfs/dbraw/zinc/32/04/91/270320491.db2.gz AYKBDDWYQSUFAE-RFGFWPKPSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CS[C@H](C)C1 ZINC000397884295 270320498 /nfs/dbraw/zinc/32/04/98/270320498.db2.gz AYKBDDWYQSUFAE-YIYPIFLZSA-N 2 0 256.459 2.781 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423012145 270332681 /nfs/dbraw/zinc/33/26/81/270332681.db2.gz KAUAMYZFPGGFEW-HDMKZQKVSA-N 2 0 290.451 2.852 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459381368 270336820 /nfs/dbraw/zinc/33/68/20/270336820.db2.gz VFNGDRCFWDYMOG-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000514930751 270358383 /nfs/dbraw/zinc/35/83/83/270358383.db2.gz PNXPYBPXYKQPLA-WFASDCNBSA-N 2 0 289.423 2.739 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000515002271 270360373 /nfs/dbraw/zinc/36/03/73/270360373.db2.gz KAMBJFIMGCWEPL-DZGCQCFKSA-N 2 0 284.407 2.684 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000515167349 270363872 /nfs/dbraw/zinc/36/38/72/270363872.db2.gz OPQGBIMLISWFBC-UONOGXRCSA-N 2 0 283.419 2.567 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000515167347 270364012 /nfs/dbraw/zinc/36/40/12/270364012.db2.gz OPQGBIMLISWFBC-KBPBESRZSA-N 2 0 283.419 2.567 20 0 CFADRP CSc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000516516217 270382941 /nfs/dbraw/zinc/38/29/41/270382941.db2.gz NFHRUELCSCJPBM-NSHDSACASA-N 2 0 270.467 2.901 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000516631954 270385594 /nfs/dbraw/zinc/38/55/94/270385594.db2.gz BAIMWFCDVUCWIG-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000516821943 270388730 /nfs/dbraw/zinc/38/87/30/270388730.db2.gz AGIBEOXEYFTQNI-LBPRGKRZSA-N 2 0 284.806 2.953 20 0 CFADRP CC(C)[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000517144316 270397972 /nfs/dbraw/zinc/39/79/72/270397972.db2.gz AXFGUEWVCKGGSZ-SQNIBIBYSA-N 2 0 272.436 2.968 20 0 CFADRP C([C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1)[NH+]1CCCC1 ZINC000530463667 270795049 /nfs/dbraw/zinc/79/50/49/270795049.db2.gz ZPVPSVDKWNXFIH-IRXDYDNUSA-N 2 0 292.467 2.896 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423285290 273966420 /nfs/dbraw/zinc/96/64/20/273966420.db2.gz ZHZFJAFKQHICTC-IINYFYTJSA-N 2 0 297.240 2.882 20 0 CFADRP CC(C)OCCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423029856 273540344 /nfs/dbraw/zinc/54/03/44/273540344.db2.gz IVMVDLSYRNJHOC-NVXWUHKLSA-N 2 0 278.440 2.740 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000435870758 273960534 /nfs/dbraw/zinc/96/05/34/273960534.db2.gz HASKABGIFHTLJI-HNNXBMFYSA-N 2 0 250.361 2.866 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423284035 273963554 /nfs/dbraw/zinc/96/35/54/273963554.db2.gz XZTDELLRLPIVSV-YGRLFVJLSA-N 2 0 297.240 2.882 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000422993412 274048489 /nfs/dbraw/zinc/04/84/89/274048489.db2.gz SUCSWNMZFSOZAA-XJKSGUPXSA-N 2 0 276.424 2.753 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339437216 274060706 /nfs/dbraw/zinc/06/07/06/274060706.db2.gz FWNLMOBGXVCKBV-ZWKOTPCHSA-N 2 0 288.435 2.792 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH3+])CCCCC1)CC2 ZINC000414843455 274124900 /nfs/dbraw/zinc/12/49/00/274124900.db2.gz ODYUHLNNBSFGEZ-INIZCTEOSA-N 2 0 288.435 2.804 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423220379 274132613 /nfs/dbraw/zinc/13/26/13/274132613.db2.gz YHYUPTRHYANNJR-GUYCJALGSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH3+])CC1)CCC2 ZINC000092383940 274135246 /nfs/dbraw/zinc/13/52/46/274135246.db2.gz CDNIGGLYPGPQQD-MQBCKMQZSA-N 2 0 274.408 2.932 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423280719 274137424 /nfs/dbraw/zinc/13/74/24/274137424.db2.gz ULUFYKUBBFFBKO-KBRIMQKVSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415109262 274229661 /nfs/dbraw/zinc/22/96/61/274229661.db2.gz QXRDETJNTMAANT-DKIMLUQUSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1Cc2ccccc2C1 ZINC000423034805 274237764 /nfs/dbraw/zinc/23/77/64/274237764.db2.gz IKTSONDRTVRHQL-AUUYWEPGSA-N 2 0 280.415 2.702 20 0 CFADRP C[C@@H]([NH2+]CCC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423018761 274246755 /nfs/dbraw/zinc/24/67/55/274246755.db2.gz ZQLIOTUTCIUXSH-DYVFJYSZSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423143161 274247755 /nfs/dbraw/zinc/24/77/55/274247755.db2.gz CMEOFDKWKXNGEE-KMFMINBZSA-N 2 0 258.409 2.837 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1=CC[NH2+]CC1)CC3 ZINC000335502707 274767156 /nfs/dbraw/zinc/76/71/56/274767156.db2.gz WKKPUGPRWMSSNL-OAHLLOKOSA-N 2 0 295.430 2.843 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335044966 274881864 /nfs/dbraw/zinc/88/18/64/274881864.db2.gz WGWWCSDXUFYKQY-CABCVRRESA-N 2 0 280.799 2.512 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000423212420 274882684 /nfs/dbraw/zinc/88/26/84/274882684.db2.gz LVPRPWIVGZWKBQ-IAQYHMDHSA-N 2 0 264.800 2.917 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422848547 274957133 /nfs/dbraw/zinc/95/71/33/274957133.db2.gz KDQMONSEVRGSQN-QCNOEVLYSA-N 2 0 264.335 2.825 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423484456 275061077 /nfs/dbraw/zinc/06/10/77/275061077.db2.gz REDMGHSKAVWFPX-PBHICJAKSA-N 2 0 274.408 2.891 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC000423359362 275069868 /nfs/dbraw/zinc/06/98/68/275069868.db2.gz PACMUNXXDJYROF-LJQANCHMSA-N 2 0 278.399 2.937 20 0 CFADRP C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000335738110 275393144 /nfs/dbraw/zinc/39/31/44/275393144.db2.gz NODASPSKLNUABB-GJZGRUSLSA-N 2 0 268.470 2.736 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCOCC1 ZINC000432781288 275393201 /nfs/dbraw/zinc/39/32/01/275393201.db2.gz QPAUYJHFRHGDPZ-SJLPKXTDSA-N 2 0 292.467 2.752 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCC1 ZINC000367811845 275393310 /nfs/dbraw/zinc/39/33/10/275393310.db2.gz BIGSOQSFBDPIKI-YOEHRIQHSA-N 2 0 278.440 2.504 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC12CCSCC2 ZINC000421379521 275396121 /nfs/dbraw/zinc/39/61/21/275396121.db2.gz LJHLDFWRKIPHJM-SOUVJXGZSA-N 2 0 280.481 2.736 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357061102 275538460 /nfs/dbraw/zinc/53/84/60/275538460.db2.gz ZNQQEDVVKVIEPF-CQSZACIVSA-N 2 0 290.455 2.529 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000344324014 275627143 /nfs/dbraw/zinc/62/71/43/275627143.db2.gz FPWUZEQGRGSWSD-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@H]3C[NH3+])CC2)CC1 ZINC000422966003 275935799 /nfs/dbraw/zinc/93/57/99/275935799.db2.gz MOHUGNDTVFSHBD-BFWZDYSYSA-N 3 0 293.499 2.747 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000127111872 275941467 /nfs/dbraw/zinc/94/14/67/275941467.db2.gz YQBLCOVISAWSBV-INIZCTEOSA-N 2 0 280.456 2.941 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422977379 275968550 /nfs/dbraw/zinc/96/85/50/275968550.db2.gz JYHYSROYPCEMMA-HRCADAONSA-N 2 0 282.472 2.828 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422714123 275992109 /nfs/dbraw/zinc/99/21/09/275992109.db2.gz KPZMIGLLIWDIED-DISONHOPSA-N 2 0 294.483 2.948 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000475050702 276095407 /nfs/dbraw/zinc/09/54/07/276095407.db2.gz XKDLDXZKTOIAOQ-SFHVURJKSA-N 2 0 296.499 2.981 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1C ZINC000359936744 276132343 /nfs/dbraw/zinc/13/23/43/276132343.db2.gz SJVYDUGPHIAXOE-SJORKVTESA-N 2 0 289.467 2.751 20 0 CFADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000420363206 276132636 /nfs/dbraw/zinc/13/26/36/276132636.db2.gz BJPUYECPPWSOMU-NEPJUHHUSA-N 2 0 278.362 2.896 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422790402 276149108 /nfs/dbraw/zinc/14/91/08/276149108.db2.gz UARHVUBLMPHQSA-ROUUACIJSA-N 3 0 287.451 2.843 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCCO[C@@H]21 ZINC000085671228 276163255 /nfs/dbraw/zinc/16/32/55/276163255.db2.gz CTLFYXHVCKUMFN-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CC1CC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335033221 276187630 /nfs/dbraw/zinc/18/76/30/276187630.db2.gz PLXLMDNFMBKUIR-SGALNCENSA-N 2 0 272.392 2.630 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000248508723 276198325 /nfs/dbraw/zinc/19/83/25/276198325.db2.gz YHBFNPVUGVJWQR-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3/C=C/CCCCC3)C2)CC1 ZINC000336251023 276201668 /nfs/dbraw/zinc/20/16/68/276201668.db2.gz FKDQSDSTOQHEFC-NKXVPCSKSA-N 2 0 291.483 2.587 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000163319911 276212305 /nfs/dbraw/zinc/21/23/05/276212305.db2.gz RSYKEDKMRSLQJW-DCGLDWPTSA-N 2 0 276.399 2.990 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1OC ZINC000423543556 276218379 /nfs/dbraw/zinc/21/83/79/276218379.db2.gz NDCDJZPGRSKRJY-JKJDWNRSSA-N 2 0 280.456 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)[C@@H](C)C1 ZINC000336804042 276224827 /nfs/dbraw/zinc/22/48/27/276224827.db2.gz FNLQGZOOZMIAAL-KKUMJFAQSA-N 2 0 268.445 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000338792535 276228203 /nfs/dbraw/zinc/22/82/03/276228203.db2.gz SLCGUUCXYVFFMB-AESZEHBQSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CC)CCOCC2)[C@H](C)C1 ZINC000347408726 276228299 /nfs/dbraw/zinc/22/82/99/276228299.db2.gz GWBKRJKFSUPRIQ-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000158362477 276229423 /nfs/dbraw/zinc/22/94/23/276229423.db2.gz FMFCPFYFMMNIPJ-VYDXJSESSA-N 2 0 288.435 2.873 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000414808208 276230156 /nfs/dbraw/zinc/23/01/56/276230156.db2.gz DSNXUIJFYKTIDE-KEYYUXOJSA-N 3 0 275.440 2.526 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)[C@@H](C)C1 ZINC000414925151 276231413 /nfs/dbraw/zinc/23/14/13/276231413.db2.gz JIQRKJZKICZAJW-KKXDTOCCSA-N 2 0 287.451 2.966 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449079610 276267339 /nfs/dbraw/zinc/26/73/39/276267339.db2.gz PFWVYDBTZLZIOS-HIFRSBDPSA-N 2 0 289.423 2.642 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423469741 276272842 /nfs/dbraw/zinc/27/28/42/276272842.db2.gz KKWQKJCZDPEZGT-JFBXJRRNSA-N 2 0 296.455 2.606 20 0 CFADRP CCOC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CCCC1 ZINC000340461125 276308736 /nfs/dbraw/zinc/30/87/36/276308736.db2.gz DQYXMAXIWFBYQQ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@@H](C)C1 ZINC000348403365 276316198 /nfs/dbraw/zinc/31/61/98/276316198.db2.gz LRTVQWWBUMIAJS-JONQDZQNSA-N 2 0 286.435 2.604 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422807518 276335468 /nfs/dbraw/zinc/33/54/68/276335468.db2.gz JWQNIZOQJVDXHX-KFWWJZLASA-N 2 0 256.434 2.558 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229056316 276382798 /nfs/dbraw/zinc/38/27/98/276382798.db2.gz GYENHNDXVLFJOB-ZFWWWQNUSA-N 2 0 262.397 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCCCC2)[C@H](C)C1 ZINC000353538879 276395785 /nfs/dbraw/zinc/39/57/85/276395785.db2.gz JRMZSEHOVKLLJU-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422831981 276434649 /nfs/dbraw/zinc/43/46/49/276434649.db2.gz XDBPBFIXSSWLQC-MSOLQXFVSA-N 2 0 293.499 2.904 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423161757 276467034 /nfs/dbraw/zinc/46/70/34/276467034.db2.gz JNXJMAYDBSYZIR-KBRIMQKVSA-N 2 0 291.439 2.847 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423410181 276608431 /nfs/dbraw/zinc/60/84/31/276608431.db2.gz RKLCLUXEPQDCOQ-LSDHHAIUSA-N 2 0 268.445 2.561 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Br)cc1 ZINC000045598347 276758915 /nfs/dbraw/zinc/75/89/15/276758915.db2.gz YHIDVHQZBVPXDQ-UHFFFAOYSA-N 2 0 285.229 2.881 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708687 276783385 /nfs/dbraw/zinc/78/33/85/276783385.db2.gz GZQOOOGWAXNQHR-UHFFFAOYSA-N 2 0 260.303 2.535 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@H]1CCCCS1 ZINC000250878337 276814747 /nfs/dbraw/zinc/81/47/47/276814747.db2.gz URLHEDHPYTVXJX-LXTVHRRPSA-N 2 0 268.470 2.782 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297118506 277023160 /nfs/dbraw/zinc/02/31/60/277023160.db2.gz YLTRTMQJJWQREE-CQSZACIVSA-N 2 0 291.826 2.964 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081637832 277026583 /nfs/dbraw/zinc/02/65/83/277026583.db2.gz ZLJPONKTNSZCPG-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000459790108 277053431 /nfs/dbraw/zinc/05/34/31/277053431.db2.gz QUGDVXOLABEWGN-MAUKXSAKSA-N 2 0 272.436 2.865 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000182064261 277082560 /nfs/dbraw/zinc/08/25/60/277082560.db2.gz WEOUOBAZBCWNOK-CYBMUJFWSA-N 2 0 289.423 2.637 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423479701 277082749 /nfs/dbraw/zinc/08/27/49/277082749.db2.gz MNBHTKZRCFGHGY-CZUORRHYSA-N 2 0 289.423 2.828 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446885387 277151420 /nfs/dbraw/zinc/15/14/20/277151420.db2.gz WEGOXVZTFRGMDM-UHFFFAOYSA-N 3 0 293.499 2.713 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC[NH2+]CC1 ZINC000414974102 277199536 /nfs/dbraw/zinc/19/95/36/277199536.db2.gz LVBUHNYUEXRZAM-JKSUJKDBSA-N 2 0 280.456 2.561 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000423169167 277199634 /nfs/dbraw/zinc/19/96/34/277199634.db2.gz VOTKCLHDMLADSB-HOTGVXAUSA-N 2 0 274.408 2.928 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777289 277273902 /nfs/dbraw/zinc/27/39/02/277273902.db2.gz HYVYKSJRKHJCLH-UONOGXRCSA-N 2 0 290.455 2.529 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000425392933 277279469 /nfs/dbraw/zinc/27/94/69/277279469.db2.gz HVFUUBJFGDPUPB-AEFFLSMTSA-N 2 0 294.483 2.999 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCSc2ccc(C)c(C)c2)C1 ZINC000430920258 277279945 /nfs/dbraw/zinc/27/99/45/277279945.db2.gz OCMZHXCFXCOELF-HNNXBMFYSA-N 2 0 278.465 2.937 20 0 CFADRP C[NH2+]Cc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414979176 277287092 /nfs/dbraw/zinc/28/70/92/277287092.db2.gz TZBSITRHBYMHTP-YESZJQIVSA-N 2 0 273.424 2.739 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358209441 277332834 /nfs/dbraw/zinc/33/28/34/277332834.db2.gz XDKYIQZYCGVRKW-VBNZEHGJSA-N 2 0 296.842 2.957 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246339809 277397112 /nfs/dbraw/zinc/39/71/12/277397112.db2.gz GSFHKUPZLYLHKI-BRSBDYLESA-N 2 0 295.515 2.673 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272587167 277566263 /nfs/dbraw/zinc/56/62/63/277566263.db2.gz RHRUAJCOXHFMCB-QGZVFWFLSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423126856 277621371 /nfs/dbraw/zinc/62/13/71/277621371.db2.gz JDTPLHLFWDMVBN-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422732695 277678890 /nfs/dbraw/zinc/67/88/90/277678890.db2.gz QEKYIIGCQMWARE-DUQPFJRNSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423532657 277780486 /nfs/dbraw/zinc/78/04/86/277780486.db2.gz VOVBCZAXHGEJCE-NNKSGKNISA-N 2 0 262.441 2.918 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335217366 277951933 /nfs/dbraw/zinc/95/19/33/277951933.db2.gz MNEUWQPENWFICH-WMLDXEAASA-N 2 0 274.408 2.804 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000164890158 277965141 /nfs/dbraw/zinc/96/51/41/277965141.db2.gz WCPLRRNZDFCACC-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000178158032 278025237 /nfs/dbraw/zinc/02/52/37/278025237.db2.gz ANENJTWMFGROGZ-CRAIPNDOSA-N 2 0 293.499 2.713 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C2 ZINC000415013362 278032462 /nfs/dbraw/zinc/03/24/62/278032462.db2.gz KQXFKHYBBHTXFR-UKRRQHHQSA-N 2 0 276.424 2.660 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423464855 278033119 /nfs/dbraw/zinc/03/31/19/278033119.db2.gz RGPFTEUUDHZZCW-WWGRRREGSA-N 2 0 274.408 2.790 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537597 278033529 /nfs/dbraw/zinc/03/35/29/278033529.db2.gz DGFYRZWSTWSOML-CFAJVAMVSA-N 2 0 286.419 2.660 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000414840810 278034437 /nfs/dbraw/zinc/03/44/37/278034437.db2.gz NMKWHQVIRUXPJR-ZBFHGGJFSA-N 2 0 288.435 2.532 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2 ZINC000415013364 278034711 /nfs/dbraw/zinc/03/47/11/278034711.db2.gz KQXFKHYBBHTXFR-ZFWWWQNUSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262011036 278075618 /nfs/dbraw/zinc/07/56/18/278075618.db2.gz VCCXBILOWFSBIB-PWSUYJOCSA-N 2 0 264.335 2.649 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000368136071 278123577 /nfs/dbraw/zinc/12/35/77/278123577.db2.gz SVRBBSIZQGIPPZ-CQSZACIVSA-N 2 0 268.470 2.546 20 0 CFADRP CS[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414705512 278143081 /nfs/dbraw/zinc/14/30/81/278143081.db2.gz KKAYGQAFBVXQNA-MELADBBJSA-N 2 0 256.459 2.592 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358778486 278146806 /nfs/dbraw/zinc/14/68/06/278146806.db2.gz TYXUVSFJUVUGSL-QWHCGFSZSA-N 2 0 256.459 2.733 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422768003 278161631 /nfs/dbraw/zinc/16/16/31/278161631.db2.gz TYULXJVPEVYEHT-PQAZSJQKSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000310854193 278169707 /nfs/dbraw/zinc/16/97/07/278169707.db2.gz JJTCAQOZXUNRTC-SNVBAGLBSA-N 2 0 260.303 2.922 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060487 278224734 /nfs/dbraw/zinc/22/47/34/278224734.db2.gz WYQDIOBWTRBYMH-ZLPCBKJTSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000422772943 278227963 /nfs/dbraw/zinc/22/79/63/278227963.db2.gz ZJCNJYBKKBZGRX-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H](CC[NH+](C)C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000049553802 278229084 /nfs/dbraw/zinc/22/90/84/278229084.db2.gz ZVIPPNCQKIDXIU-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401048744 278243370 /nfs/dbraw/zinc/24/33/70/278243370.db2.gz XGINOPWBEWXYDU-YJNKXOJESA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000352835314 278282498 /nfs/dbraw/zinc/28/24/98/278282498.db2.gz OQSQDFQGVKCTER-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C[NH+]1CCCC1 ZINC000442708884 278285919 /nfs/dbraw/zinc/28/59/19/278285919.db2.gz LZWGMQPHRIIGSN-GJZGRUSLSA-N 2 0 297.446 2.957 20 0 CFADRP CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423124334 278297250 /nfs/dbraw/zinc/29/72/50/278297250.db2.gz GEZGPUKRJZFQKS-RBSFLKMASA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415110479 278314808 /nfs/dbraw/zinc/31/48/08/278314808.db2.gz PDDCMCQLMXGYOB-LSDHHAIUSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCOC1 ZINC000356860374 278335538 /nfs/dbraw/zinc/33/55/38/278335538.db2.gz YVSBYIZQKMIPAG-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000358652518 278341026 /nfs/dbraw/zinc/34/10/26/278341026.db2.gz PXPFDWDVHJAFKG-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1F ZINC000268876605 278343572 /nfs/dbraw/zinc/34/35/72/278343572.db2.gz HASNCMRLUCFQLG-CABCVRRESA-N 2 0 294.414 2.713 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423126851 278353976 /nfs/dbraw/zinc/35/39/76/278353976.db2.gz JDTPLHLFWDMVBN-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)C[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423022368 278374514 /nfs/dbraw/zinc/37/45/14/278374514.db2.gz FCFWZUWUIUAJOM-JLJPHGGASA-N 2 0 272.392 2.630 20 0 CFADRP CC1(C)Cc2occc2[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000423240659 278399865 /nfs/dbraw/zinc/39/98/65/278399865.db2.gz CNWBCRGVHATFJE-GXTWGEPZSA-N 2 0 262.397 2.882 20 0 CFADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424190678 278484562 /nfs/dbraw/zinc/48/45/62/278484562.db2.gz GCUMCODXJJYEIE-LSDHHAIUSA-N 2 0 297.487 2.554 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1c(C)noc1C ZINC000415083009 288049508 /nfs/dbraw/zinc/04/95/08/288049508.db2.gz DTSXTLSSLDWOMW-SWHYSGLUSA-N 2 0 265.401 2.720 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422761596 278514035 /nfs/dbraw/zinc/51/40/35/278514035.db2.gz MXPQKRATAQDVGK-BPKGMFCQSA-N 2 0 280.456 2.559 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423047368 278606209 /nfs/dbraw/zinc/60/62/09/278606209.db2.gz VBNOALJNEFOLDP-OEAJRASXSA-N 2 0 268.445 2.700 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000310502041 278695964 /nfs/dbraw/zinc/69/59/64/278695964.db2.gz MRCFLPBYOXYEMM-GXTWGEPZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423377043 288068824 /nfs/dbraw/zinc/06/88/24/288068824.db2.gz VOYQLTFAHYIXLR-XHSDSOJGSA-N 2 0 290.407 2.784 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H](C)[NH+]1C ZINC000338788504 278808351 /nfs/dbraw/zinc/80/83/51/278808351.db2.gz UZRIVLDUEJSOEP-CHWSQXEVSA-N 2 0 255.365 2.764 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414763551 278959020 /nfs/dbraw/zinc/95/90/20/278959020.db2.gz CRXDXHBTMQEASN-GDBMZVCRSA-N 2 0 252.446 2.990 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540420 279014514 /nfs/dbraw/zinc/01/45/14/279014514.db2.gz QGQJIZKCCHCLRA-PXAZEXFGSA-N 2 0 274.383 2.958 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423383439 279014557 /nfs/dbraw/zinc/01/45/57/279014557.db2.gz FCYFVRQLIAERJQ-NSLUBLRVSA-N 2 0 262.372 2.647 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359226036 279016773 /nfs/dbraw/zinc/01/67/73/279016773.db2.gz VNLAKKDJRCGKLE-CQSZACIVSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000178412807 279021463 /nfs/dbraw/zinc/02/14/63/279021463.db2.gz LKAWPJKYAXBULH-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414700915 288102528 /nfs/dbraw/zinc/10/25/28/288102528.db2.gz GXPBCHHOPYBWAK-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450626287 279103492 /nfs/dbraw/zinc/10/34/92/279103492.db2.gz RWVQRQTVELQHMK-XNHLSEOASA-N 2 0 293.499 2.664 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000414841117 279125376 /nfs/dbraw/zinc/12/53/76/279125376.db2.gz YWTDUPWWXQLAPL-XJNFMUPTSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348696093 288101711 /nfs/dbraw/zinc/10/17/11/288101711.db2.gz LEOQVDOMHIHJNN-SGCDDIOWSA-N 2 0 264.335 2.646 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423139561 279162118 /nfs/dbraw/zinc/16/21/18/279162118.db2.gz VMBSKNAACYDURL-NXOAAHMSSA-N 2 0 258.409 2.897 20 0 CFADRP CC(C)C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415031008 279163079 /nfs/dbraw/zinc/16/30/79/279163079.db2.gz DKAPKHVVSILUDJ-MSOLQXFVSA-N 2 0 290.451 2.784 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC[C@@H](C)O)CC1)CC1CC1 ZINC000450654998 279177127 /nfs/dbraw/zinc/17/71/27/279177127.db2.gz SOUOIUAXEZRVCE-OAHLLOKOSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC2CCCCC2)CC1 ZINC000414684833 279179783 /nfs/dbraw/zinc/17/97/83/279179783.db2.gz WYVKHDOBIPYDFK-KRWDZBQOSA-N 2 0 281.488 2.558 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339587690 279185718 /nfs/dbraw/zinc/18/57/18/279185718.db2.gz RJTSQSYBMWESLP-LSDHHAIUSA-N 2 0 274.343 2.556 20 0 CFADRP CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CCC1 ZINC000420309036 279228700 /nfs/dbraw/zinc/22/87/00/279228700.db2.gz SUKSRNSTKIQDFA-AWEZNQCLSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415070651 279254139 /nfs/dbraw/zinc/25/41/39/279254139.db2.gz IVGCSEYDPLGDEP-MNOVXSKESA-N 2 0 252.324 2.839 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2nccnc2C)CC1 ZINC000188078804 279257144 /nfs/dbraw/zinc/25/71/44/279257144.db2.gz JFIYTJZMYNSLEJ-CYBMUJFWSA-N 2 0 276.428 2.558 20 0 CFADRP C[C@H](CCO)[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000093311079 279269767 /nfs/dbraw/zinc/26/97/67/279269767.db2.gz WVBVEVXWQCNNRO-AEFFLSMTSA-N 2 0 290.451 2.744 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C[NH+]1CCCCC1 ZINC000353455011 279350104 /nfs/dbraw/zinc/35/01/04/279350104.db2.gz NJKMWKUHPMCDLO-TVFCKZIOSA-N 2 0 293.499 2.571 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449075661 279356464 /nfs/dbraw/zinc/35/64/64/279356464.db2.gz FTZLSOJRTFWIGN-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000415084671 279367996 /nfs/dbraw/zinc/36/79/96/279367996.db2.gz HHNZTMBTANGPFE-JJTUDDRGSA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000353575281 279371606 /nfs/dbraw/zinc/37/16/06/279371606.db2.gz ZMSXTQPDDRZALZ-CQSZACIVSA-N 2 0 269.477 2.568 20 0 CFADRP C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422902238 279372533 /nfs/dbraw/zinc/37/25/33/279372533.db2.gz MJZSZIHCYGFJRG-LVQVYYBASA-N 2 0 268.445 2.844 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H](C)F)CC1 ZINC000339495693 279375643 /nfs/dbraw/zinc/37/56/43/279375643.db2.gz NIJYJKAWQUIRSH-OAHLLOKOSA-N 2 0 293.430 2.666 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246975329 279379549 /nfs/dbraw/zinc/37/95/49/279379549.db2.gz JSHHLGBNMCMNLG-VMUDFCTBSA-N 2 0 276.424 2.642 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123920727 279387287 /nfs/dbraw/zinc/38/72/87/279387287.db2.gz ZUSLVZNKFVBYHA-OWCLPIDISA-N 2 0 290.455 2.514 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC(C)(C)C)C[C@@H]1C ZINC000336704014 279398001 /nfs/dbraw/zinc/39/80/01/279398001.db2.gz HFPXPGJCFSKQHN-UONOGXRCSA-N 2 0 256.434 2.606 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000422932476 279520178 /nfs/dbraw/zinc/52/01/78/279520178.db2.gz FXGKZTIQMQRBLO-NORZTCDRSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@@H]1CCC[NH2+]C1 ZINC000422958135 279548892 /nfs/dbraw/zinc/54/88/92/279548892.db2.gz ORUQRAGEPLGRMT-GHJWDPDVSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]1C[N@H+](CC2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336153917 288151498 /nfs/dbraw/zinc/15/14/98/288151498.db2.gz NQYSZPKRPIREHQ-MRXNPFEDSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3(C)CCC3)CC2)C[C@H](C)O1 ZINC000340277566 288152906 /nfs/dbraw/zinc/15/29/06/288152906.db2.gz JXSNTBWXRVFOCS-IYBDPMFKSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000067452941 288159892 /nfs/dbraw/zinc/15/98/92/288159892.db2.gz GNFMFNHMEHNDNH-GASCZTMLSA-N 2 0 294.414 2.805 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC23CCC3)C[C@@H](C)O1 ZINC000337421070 288160250 /nfs/dbraw/zinc/16/02/50/288160250.db2.gz FRVNSGNBGMWXQQ-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000429405465 288162138 /nfs/dbraw/zinc/16/21/38/288162138.db2.gz WIOTYVFPUAUOPR-QGZVFWFLSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2sccc21 ZINC000335157285 279760142 /nfs/dbraw/zinc/76/01/42/279760142.db2.gz BGKFLUBXIYQMQL-JSGCOSHPSA-N 2 0 294.464 2.733 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000422841575 279852830 /nfs/dbraw/zinc/85/28/30/279852830.db2.gz DDMRDBHGBVEPLI-OKZBNKHCSA-N 2 0 295.515 2.993 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336345908 280025660 /nfs/dbraw/zinc/02/56/60/280025660.db2.gz MFVBNRGYGZOBAA-SJCJKPOMSA-N 2 0 274.383 2.911 20 0 CFADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000415053411 280100257 /nfs/dbraw/zinc/10/02/57/280100257.db2.gz JSYYXEPUIYIWLQ-PQEBFOHHSA-N 2 0 258.409 2.918 20 0 CFADRP CC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000412979371 280140256 /nfs/dbraw/zinc/14/02/56/280140256.db2.gz UJJRIYWKMVFSPR-SJORKVTESA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC000419216390 280140399 /nfs/dbraw/zinc/14/03/99/280140399.db2.gz PHIJOOGHVWPRQT-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC[NH2+]C1 ZINC000261759899 280154790 /nfs/dbraw/zinc/15/47/90/280154790.db2.gz LGQDTJVOBUNIDO-HOTGVXAUSA-N 2 0 262.372 2.962 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)O ZINC000340501127 280184494 /nfs/dbraw/zinc/18/44/94/280184494.db2.gz HPZODTZPRDPMQV-MRXNPFEDSA-N 2 0 282.472 2.923 20 0 CFADRP CC[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422810971 280186601 /nfs/dbraw/zinc/18/66/01/280186601.db2.gz VCLRVQWAEVMRJN-SJORKVTESA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1cccnc1 ZINC000422839112 280255658 /nfs/dbraw/zinc/25/56/58/280255658.db2.gz ZFVASOMWWSKGJR-PVAVHDDUSA-N 2 0 275.440 2.799 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247999990 280278138 /nfs/dbraw/zinc/27/81/38/280278138.db2.gz KIGRPLGCBLLSCC-BBWFWOEESA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120892884 280618682 /nfs/dbraw/zinc/61/86/82/280618682.db2.gz VIJWQFUHBFHAOA-SQNIBIBYSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120868197 280618778 /nfs/dbraw/zinc/61/87/78/280618778.db2.gz MQKNDAUHRHBWQS-DLBZAZTESA-N 2 0 281.488 2.594 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000138718295 280790779 /nfs/dbraw/zinc/79/07/79/280790779.db2.gz HYZLQOGLFYMRAR-INIZCTEOSA-N 2 0 292.471 2.619 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C2CC2)CC1 ZINC000151380238 280802481 /nfs/dbraw/zinc/80/24/81/280802481.db2.gz AQLHCVWFLBMUIF-HNNXBMFYSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000259319230 280813086 /nfs/dbraw/zinc/81/30/86/280813086.db2.gz QSEBVJOLSOZYQU-QGZVFWFLSA-N 2 0 258.409 2.817 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000402549341 280837176 /nfs/dbraw/zinc/83/71/76/280837176.db2.gz JKCDFJHXPZYYJJ-DCAQKATOSA-N 2 0 252.324 2.695 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000186310327 280845646 /nfs/dbraw/zinc/84/56/46/280845646.db2.gz NHDBCGCRTOGFRQ-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000186573889 280848953 /nfs/dbraw/zinc/84/89/53/280848953.db2.gz YDIYJUYRBOHMBA-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000161788487 280935664 /nfs/dbraw/zinc/93/56/64/280935664.db2.gz HLQOKOJPDLPEOD-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414841334 280956603 /nfs/dbraw/zinc/95/66/03/280956603.db2.gz HVSOHNRGUZSPMB-ULQDDVLXSA-N 2 0 258.409 2.973 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000246916712 281000733 /nfs/dbraw/zinc/00/07/33/281000733.db2.gz GBUUVTPKIZKEFI-TVFCKZIOSA-N 2 0 295.515 2.673 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000246908066 281000970 /nfs/dbraw/zinc/00/09/70/281000970.db2.gz FPJLGXQRPHSIDP-HRCADAONSA-N 2 0 270.461 2.758 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000247196154 281007227 /nfs/dbraw/zinc/00/72/27/281007227.db2.gz UQDHKSUSCKEKJX-TZMCWYRMSA-N 2 0 281.469 2.568 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000247234233 281008366 /nfs/dbraw/zinc/00/83/66/281008366.db2.gz XDVBUYBRFNMSHR-SZOQZIPDSA-N 2 0 294.414 2.911 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)C)[C@@H](C)C1 ZINC000248050833 281017476 /nfs/dbraw/zinc/01/74/76/281017476.db2.gz WFYWZSNSPWGWKV-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000248119430 281018820 /nfs/dbraw/zinc/01/88/20/281018820.db2.gz NDVWVWVASMOKNN-WBMJQRKESA-N 2 0 262.372 2.744 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnn1C ZINC000248745713 281034112 /nfs/dbraw/zinc/03/41/12/281034112.db2.gz AXYZGMLKUFPUEI-LSDHHAIUSA-N 2 0 278.444 2.583 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CC3 ZINC000414948728 281037094 /nfs/dbraw/zinc/03/70/94/281037094.db2.gz YWTMAZWCXHYDKM-CPUCHLNUSA-N 2 0 297.446 2.921 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500471 281069193 /nfs/dbraw/zinc/06/91/93/281069193.db2.gz BZNYTHHYJPELCR-FCCDEINASA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000251758854 281074262 /nfs/dbraw/zinc/07/42/62/281074262.db2.gz LUJWOYYSJIKHEW-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H](C)C2 ZINC000423563273 281092051 /nfs/dbraw/zinc/09/20/51/281092051.db2.gz RHXYBWIMADGSPD-DYVFJYSZSA-N 2 0 258.409 2.960 20 0 CFADRP Brc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000259050335 281111287 /nfs/dbraw/zinc/11/12/87/281111287.db2.gz QKAPKMDSMBGBTF-NSHDSACASA-N 2 0 283.213 2.538 20 0 CFADRP Brc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000259039912 281111454 /nfs/dbraw/zinc/11/14/54/281111454.db2.gz PKMZFMYXBARHQG-GFCCVEGCSA-N 2 0 283.213 2.538 20 0 CFADRP CC(C)c1ccc(CC[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000259163956 281111684 /nfs/dbraw/zinc/11/16/84/281111684.db2.gz YIFADORMFNHSML-INIZCTEOSA-N 2 0 260.425 2.942 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H](C)C2 ZINC000423507460 281124025 /nfs/dbraw/zinc/12/40/25/281124025.db2.gz MTYJIRIAQJKQSP-TZDHZFECSA-N 2 0 258.409 2.945 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423556765 281124128 /nfs/dbraw/zinc/12/41/28/281124128.db2.gz ZCVPWDHELNTWMQ-KYHPRHEASA-N 2 0 270.420 2.960 20 0 CFADRP c1cnc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000314761001 281155983 /nfs/dbraw/zinc/15/59/83/281155983.db2.gz NSUZQSSBJOWANA-CALCHBBNSA-N 2 0 281.403 2.666 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CCC[N@@H+](C)CC3)c2c1 ZINC000302156550 281168698 /nfs/dbraw/zinc/16/86/98/281168698.db2.gz MYRUONNGXFHPQL-UHFFFAOYSA-N 2 0 255.365 2.685 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000302162766 281171605 /nfs/dbraw/zinc/17/16/05/281171605.db2.gz QBNMPZGSPKGCCG-HNNXBMFYSA-N 2 0 298.434 2.591 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCC12CCC2)N1CC[NH+](C)CC1 ZINC000394728448 281195036 /nfs/dbraw/zinc/19/50/36/281195036.db2.gz GAELKWRPAUVOEW-IAGOWNOFSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000396934910 281199091 /nfs/dbraw/zinc/19/90/91/281199091.db2.gz FXDBGFWREFRBRF-HBNTYKKESA-N 2 0 252.324 2.647 20 0 CFADRP C[C@@H](CCO)CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000397801763 281202512 /nfs/dbraw/zinc/20/25/12/281202512.db2.gz WKKZFUDXQHNSSD-SJLPKXTDSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CS1 ZINC000397815901 281202681 /nfs/dbraw/zinc/20/26/81/281202681.db2.gz CINMAOVDIWZSHH-GZBLMMOJSA-N 2 0 268.470 2.781 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423011467 281223257 /nfs/dbraw/zinc/22/32/57/281223257.db2.gz ISQJMYURKMFCQI-RDTXWAMCSA-N 2 0 298.434 2.565 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000424371467 281227398 /nfs/dbraw/zinc/22/73/98/281227398.db2.gz FUKXGFXXIZEOAC-RSJGLCBASA-N 2 0 292.467 2.702 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459337045 281256113 /nfs/dbraw/zinc/25/61/13/281256113.db2.gz ATOFMNKUISCTGH-OAHLLOKOSA-N 2 0 258.409 2.948 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459480755 281266345 /nfs/dbraw/zinc/26/63/45/281266345.db2.gz WLCFRAPJFIKARS-HNNXBMFYSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000423069528 281292175 /nfs/dbraw/zinc/29/21/75/281292175.db2.gz LVZMVZYQIADMOV-UKRRQHHQSA-N 2 0 262.397 2.926 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000515406227 281292950 /nfs/dbraw/zinc/29/29/50/281292950.db2.gz FARWUTMYJXUWJW-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000516193549 281300257 /nfs/dbraw/zinc/30/02/57/281300257.db2.gz NFGQWIMPHKODGH-HUUCEWRRSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000517557032 281307246 /nfs/dbraw/zinc/30/72/46/281307246.db2.gz VCEZWLBIYYJMAL-VGWMRTNUSA-N 2 0 290.451 2.502 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527656294 281337660 /nfs/dbraw/zinc/33/76/60/281337660.db2.gz XPQPEJLOWZWAAT-NWDGAFQWSA-N 2 0 262.388 2.988 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)ccn1 ZINC000527681900 281340884 /nfs/dbraw/zinc/34/08/84/281340884.db2.gz KRPNOIPFQPJOHT-UHFFFAOYSA-N 2 0 261.413 2.600 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527719642 281344326 /nfs/dbraw/zinc/34/43/26/281344326.db2.gz IMTRXGUQADMYGF-GVPXMIKFSA-N 2 0 250.430 2.883 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423400830 288325384 /nfs/dbraw/zinc/32/53/84/288325384.db2.gz QKPAECUKKOXWED-VCTAVGKDSA-N 2 0 264.800 2.915 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532221780 281445947 /nfs/dbraw/zinc/44/59/47/281445947.db2.gz GLCHJSRELRODBO-FUHWJXTLSA-N 2 0 289.467 2.609 20 0 CFADRP CCCC[C@H](CC)CC[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000538850361 281562301 /nfs/dbraw/zinc/56/23/01/281562301.db2.gz CCKZAUNYHNLFQX-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccn(C)n1 ZINC000541744812 281610608 /nfs/dbraw/zinc/61/06/08/281610608.db2.gz OEHQCXLUUUCLIU-MRXNPFEDSA-N 2 0 292.471 2.973 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000541775705 281611449 /nfs/dbraw/zinc/61/14/49/281611449.db2.gz DRSDAIWWFFVVPF-OAHLLOKOSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCCC1(C)C ZINC000544597403 281670576 /nfs/dbraw/zinc/67/05/76/281670576.db2.gz DXFFYMVXHYLNLR-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000559628956 282008020 /nfs/dbraw/zinc/00/80/20/282008020.db2.gz PXOSDHXUCHJWIZ-UHFFFAOYSA-N 2 0 296.418 2.586 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000359326400 282012155 /nfs/dbraw/zinc/01/21/55/282012155.db2.gz FPHHEALMMKQVAW-CABCVRRESA-N 2 0 297.487 2.534 20 0 CFADRP CC(C)C(C[NH+]1CCC(OCC[NH+](C)C)CC1)C(C)C ZINC000560258625 282019741 /nfs/dbraw/zinc/01/97/41/282019741.db2.gz PFZUIUVYVJIUNS-UHFFFAOYSA-N 2 0 284.488 2.957 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000271900575 282032923 /nfs/dbraw/zinc/03/29/23/282032923.db2.gz VNRDHKMWVQLJTA-ZDUSSCGKSA-N 2 0 277.437 2.680 20 0 CFADRP c1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000560576081 282035406 /nfs/dbraw/zinc/03/54/06/282035406.db2.gz FZRIXBRLZMTYMC-UHFFFAOYSA-N 2 0 288.439 2.565 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000421376891 282049238 /nfs/dbraw/zinc/04/92/38/282049238.db2.gz RDEWZWUKBJSLHF-KPFVRQRISA-N 2 0 294.361 2.559 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423546097 282049255 /nfs/dbraw/zinc/04/92/55/282049255.db2.gz KENRVBSPNBVYGB-YXYCDRMUSA-N 3 0 293.499 2.760 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000561278484 282052028 /nfs/dbraw/zinc/05/20/28/282052028.db2.gz FCBIAEAYLADXQX-OWSLCNJRSA-N 2 0 294.483 2.638 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000414810374 533692287 /nfs/dbraw/zinc/69/22/87/533692287.db2.gz VHHORRUGDBNWQB-TZMCWYRMSA-N 2 0 282.815 2.956 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337986789 289153640 /nfs/dbraw/zinc/15/36/40/289153640.db2.gz ISZZWZAUZZZASY-NVXWUHKLSA-N 2 0 299.478 2.520 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248818353 289195636 /nfs/dbraw/zinc/19/56/36/289195636.db2.gz IUXQDLKBACOSSC-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000422737327 289365975 /nfs/dbraw/zinc/36/59/75/289365975.db2.gz XIEVRQBGXCZVHL-HYVNUMGLSA-N 2 0 293.430 2.536 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21)C[NH+](C)C ZINC000425944686 289689242 /nfs/dbraw/zinc/68/92/42/289689242.db2.gz NYTUBQWZVUNDQG-KGLIPLIRSA-N 2 0 288.439 2.671 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422839825 289727976 /nfs/dbraw/zinc/72/79/76/289727976.db2.gz RMJQUZBWLSNQMX-YYIAUSFCSA-N 2 0 281.488 2.760 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000338010092 289874840 /nfs/dbraw/zinc/87/48/40/289874840.db2.gz DNECWOCZQGKEIR-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC2(C)C)(N2CCCCC2)CC1 ZINC000342693372 289879190 /nfs/dbraw/zinc/87/91/90/289879190.db2.gz ABLBXNGCPAEGNO-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000154290018 289890975 /nfs/dbraw/zinc/89/09/75/289890975.db2.gz QYRWDNPDLIIITF-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H](c1cccc(Cl)c1)N1CCN(c2ncc[nH]2)CC1 ZINC000562382961 290039338 /nfs/dbraw/zinc/03/93/38/290039338.db2.gz BDECKTNIBUNFNZ-GFCCVEGCSA-N 2 0 290.798 2.946 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000562442771 290043887 /nfs/dbraw/zinc/04/38/87/290043887.db2.gz AOSOGZMQRHJODO-HOTGVXAUSA-N 2 0 278.440 2.676 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000147699304 290043936 /nfs/dbraw/zinc/04/39/36/290043936.db2.gz TXIHIFSSESYTHR-WHOFXGATSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC2=CCCCC2)CC1 ZINC000450366173 290084344 /nfs/dbraw/zinc/08/43/44/290084344.db2.gz RNDZZAJHMXTALW-INIZCTEOSA-N 2 0 294.483 2.902 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1OC ZINC000562956134 290085411 /nfs/dbraw/zinc/08/54/11/290085411.db2.gz GGBJPUCCJRMDKO-CYBMUJFWSA-N 2 0 280.412 2.743 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000562962296 290086491 /nfs/dbraw/zinc/08/64/91/290086491.db2.gz MWXODOGRWPRVKC-UBHSHLNASA-N 2 0 278.444 2.867 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(OC(F)F)c1 ZINC000562960616 290086701 /nfs/dbraw/zinc/08/67/01/290086701.db2.gz RIEAADOOIUCXHE-VHSXEESVSA-N 2 0 288.338 2.512 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000563130128 290106695 /nfs/dbraw/zinc/10/66/95/290106695.db2.gz SHTHYSPYSCVSJC-OAHLLOKOSA-N 2 0 274.408 2.646 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000563130127 290107025 /nfs/dbraw/zinc/10/70/25/290107025.db2.gz SHTHYSPYSCVSJC-HNNXBMFYSA-N 2 0 274.408 2.646 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000563136129 290107486 /nfs/dbraw/zinc/10/74/86/290107486.db2.gz SQNJFURHTWXRON-DLBZAZTESA-N 2 0 258.409 2.680 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000563135081 290107696 /nfs/dbraw/zinc/10/76/96/290107696.db2.gz FBBRXRZYLSHHTI-UHFFFAOYSA-N 2 0 273.405 2.769 20 0 CFADRP CCCc1ccc([C@H]([NH2+]C[C@](C)(O)C[NH2+]C)C(C)C)cc1 ZINC000563271651 290126318 /nfs/dbraw/zinc/12/63/18/290126318.db2.gz XLRKFLCOHCVHSV-QZTJIDSGSA-N 2 0 292.467 2.896 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCC(C)C ZINC000563349874 290135499 /nfs/dbraw/zinc/13/54/99/290135499.db2.gz JBUQKWMDUJJAIQ-JKSUJKDBSA-N 2 0 270.461 2.590 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000563354421 290136400 /nfs/dbraw/zinc/13/64/00/290136400.db2.gz JIXFXPUGWLGJCS-JKSUJKDBSA-N 2 0 296.842 2.790 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2Cc3ccccc3C2)C1 ZINC000563424892 290149309 /nfs/dbraw/zinc/14/93/09/290149309.db2.gz MYFSWYXTGJSXPS-IAGOWNOFSA-N 2 0 258.409 2.651 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000563444821 290152985 /nfs/dbraw/zinc/15/29/85/290152985.db2.gz RGQXMMGLKLTHCE-KBPBESRZSA-N 2 0 270.461 2.636 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccncc2F)CC1 ZINC000563554267 290160156 /nfs/dbraw/zinc/16/01/56/290160156.db2.gz XUVHWEGFMXVFBE-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000563881088 290180660 /nfs/dbraw/zinc/18/06/60/290180660.db2.gz DSSILDCGNGPECI-HNNXBMFYSA-N 2 0 276.424 2.533 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000564669761 290223245 /nfs/dbraw/zinc/22/32/45/290223245.db2.gz WAYHIXSLDVWAHI-ARFHVFGLSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000564741478 290228872 /nfs/dbraw/zinc/22/88/72/290228872.db2.gz TUBCXVURCYCYQW-CABCVRRESA-N 2 0 262.397 2.542 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc21 ZINC000564791782 290232641 /nfs/dbraw/zinc/23/26/41/290232641.db2.gz FAIASDWNPWXQKK-GVDBMIGSSA-N 2 0 298.434 2.584 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000564822284 290236249 /nfs/dbraw/zinc/23/62/49/290236249.db2.gz IGESVXZLKIYPHQ-ZIAGYGMSSA-N 2 0 256.434 2.556 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000564822788 290236398 /nfs/dbraw/zinc/23/63/98/290236398.db2.gz NFAFAYOPIFLYCE-LBPRGKRZSA-N 2 0 279.403 2.542 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000564822578 290236557 /nfs/dbraw/zinc/23/65/57/290236557.db2.gz QKQOPOOSLUEZNH-KRWDZBQOSA-N 2 0 258.409 2.962 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[NH2+]C(C)C ZINC000564822364 290236618 /nfs/dbraw/zinc/23/66/18/290236618.db2.gz JFDWGCMLYIFXHT-UONOGXRCSA-N 2 0 256.434 2.558 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000564825962 290237067 /nfs/dbraw/zinc/23/70/67/290237067.db2.gz YLYNZMCUCWMSQA-MSQAHXEGSA-N 2 0 291.439 2.905 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@H]1CCC[NH2+]C1 ZINC000564825493 290237085 /nfs/dbraw/zinc/23/70/85/290237085.db2.gz LPUIHCNPLLCAOV-GJZGRUSLSA-N 2 0 298.434 2.565 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000564827948 290238072 /nfs/dbraw/zinc/23/80/72/290238072.db2.gz CWWRRXWZGDJDDD-IHRRRGAJSA-N 2 0 262.397 2.782 20 0 CFADRP Cc1ccc2ccnc(N[C@@H](C)CN3CCOCC3)c2c1 ZINC000564892974 290245445 /nfs/dbraw/zinc/24/54/45/290245445.db2.gz PTQTWUQGQZUMFT-AWEZNQCLSA-N 2 0 285.391 2.676 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000564973829 290254394 /nfs/dbraw/zinc/25/43/94/290254394.db2.gz VSVFVYFHMKAFPD-MNOVXSKESA-N 2 0 261.344 2.589 20 0 CFADRP c1ccc2cc(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000564986417 290255188 /nfs/dbraw/zinc/25/51/88/290255188.db2.gz OEEHMTVARBJJTI-RBUKOAKNSA-N 2 0 280.415 2.924 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000564988448 290255194 /nfs/dbraw/zinc/25/51/94/290255194.db2.gz NOHONKGDVNKDOQ-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)cc2F)[C@@H](C)C1 ZINC000565081274 290266525 /nfs/dbraw/zinc/26/65/25/290266525.db2.gz MWMKIKRXFGFHFL-SUMWQHHRSA-N 2 0 294.414 2.996 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000565226980 290285752 /nfs/dbraw/zinc/28/57/52/290285752.db2.gz PTADQOHBUNICFF-ILXRZTDVSA-N 2 0 262.397 2.622 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000565237952 290287266 /nfs/dbraw/zinc/28/72/66/290287266.db2.gz MNSLGYMIFBEIMB-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000565298395 290292699 /nfs/dbraw/zinc/29/26/99/290292699.db2.gz DBYZWRHFFAWJFA-AWEZNQCLSA-N 2 0 272.396 2.523 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000565481429 290304014 /nfs/dbraw/zinc/30/40/14/290304014.db2.gz VFHMBVTWYXQUDH-GJZGRUSLSA-N 2 0 299.418 2.876 20 0 CFADRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000565488422 290304574 /nfs/dbraw/zinc/30/45/74/290304574.db2.gz IALRUGWDSTZWRW-OAHLLOKOSA-N 2 0 297.402 2.951 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000565534048 290307790 /nfs/dbraw/zinc/30/77/90/290307790.db2.gz ZPDIEKSXGCEZLU-KZNAEPCWSA-N 2 0 287.451 2.833 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000565610356 290313838 /nfs/dbraw/zinc/31/38/38/290313838.db2.gz YQWPARYIORCFSU-NJINODPHSA-N 2 0 274.408 2.594 20 0 CFADRP Cc1nc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[nH]c1C ZINC000565670978 290317663 /nfs/dbraw/zinc/31/76/63/290317663.db2.gz MGOXASCKUQXJAA-ZIAGYGMSSA-N 2 0 292.471 2.874 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000565769315 290323434 /nfs/dbraw/zinc/32/34/34/290323434.db2.gz ROMHFPHJICWZSE-GFCCVEGCSA-N 2 0 270.367 2.875 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2cccnc21 ZINC000565880068 290332084 /nfs/dbraw/zinc/33/20/84/290332084.db2.gz CDKKDJPLEZYOBW-BDQJQXKSSA-N 2 0 281.403 2.840 20 0 CFADRP CC(C)c1[nH+]c(CN[C@H](C)CC[NH+](C)C)c2ccccn21 ZINC000566073638 290345049 /nfs/dbraw/zinc/34/50/49/290345049.db2.gz OVRVMGBTNNCXRQ-CQSZACIVSA-N 2 0 288.439 2.888 20 0 CFADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000566088545 290346423 /nfs/dbraw/zinc/34/64/23/290346423.db2.gz ZLSCRTULXNJVAR-QZTJIDSGSA-N 2 0 289.467 2.800 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000566105821 290348541 /nfs/dbraw/zinc/34/85/41/290348541.db2.gz YKSWXLMZWPHMPQ-CABCVRRESA-N 2 0 276.424 2.531 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000566230435 290360790 /nfs/dbraw/zinc/36/07/90/290360790.db2.gz SCDUCIZPRYJNNO-HNNXBMFYSA-N 2 0 264.438 2.886 20 0 CFADRP Cc1ccc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000566242718 290361255 /nfs/dbraw/zinc/36/12/55/290361255.db2.gz WSOMIYQFCDZUBX-SFHVURJKSA-N 2 0 272.436 2.859 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000234709124 292804490 /nfs/dbraw/zinc/80/44/90/292804490.db2.gz QPJQNROSMJWBLB-CYBMUJFWSA-N 2 0 270.461 2.935 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000566411153 290379691 /nfs/dbraw/zinc/37/96/91/290379691.db2.gz ACQQZQHIFNHSMF-DZGCQCFKSA-N 2 0 262.397 2.624 20 0 CFADRP [NH3+][C@H]1CCC[C@H](NCc2cc(-c3ccccc3)on2)C1 ZINC000566482023 290393182 /nfs/dbraw/zinc/39/31/82/290393182.db2.gz RHDNEULKRLMUJL-KBPBESRZSA-N 2 0 271.364 2.701 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000567062254 290435944 /nfs/dbraw/zinc/43/59/44/290435944.db2.gz XSLNEUSLCBVEDS-NUEKZKHPSA-N 2 0 291.414 2.512 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000567298061 290453497 /nfs/dbraw/zinc/45/34/97/290453497.db2.gz FPNJSJFWDBAJGJ-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000567462466 290464939 /nfs/dbraw/zinc/46/49/39/290464939.db2.gz ABILQWTVXNWYOP-YGRLFVJLSA-N 2 0 252.789 2.772 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000567638477 290479459 /nfs/dbraw/zinc/47/94/59/290479459.db2.gz DYAODRDCEMHXQL-HNNXBMFYSA-N 2 0 291.395 2.820 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000567639103 290480221 /nfs/dbraw/zinc/48/02/21/290480221.db2.gz VYGVDJANYVVXQZ-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000568662398 290565494 /nfs/dbraw/zinc/56/54/94/290565494.db2.gz ALARFEWNUIFSSO-ZFWWWQNUSA-N 2 0 278.444 2.946 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568782338 290570646 /nfs/dbraw/zinc/57/06/46/290570646.db2.gz NBSUCQOKNNROKM-FMKPAKJESA-N 2 0 274.408 2.932 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCCC12CCCC2 ZINC000336814297 293098082 /nfs/dbraw/zinc/09/80/82/293098082.db2.gz FGSPPDWFBOLNJF-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1CCCC1 ZINC000446746366 293150122 /nfs/dbraw/zinc/15/01/22/293150122.db2.gz UDPJHCVIONYTTA-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000371519961 293151447 /nfs/dbraw/zinc/15/14/47/293151447.db2.gz PAQKJZCNDDFEHU-OKZBNKHCSA-N 2 0 290.451 2.940 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)C(C)C ZINC000090586429 293153845 /nfs/dbraw/zinc/15/38/45/293153845.db2.gz VZDWRZBBBSKLDP-CVEARBPZSA-N 2 0 270.461 2.615 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000423418492 293294347 /nfs/dbraw/zinc/29/43/47/293294347.db2.gz UPKKEKXALPZGNO-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP Cn1cc([C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C(C)(C)C)cn1 ZINC000342319787 294294353 /nfs/dbraw/zinc/29/43/53/294294353.db2.gz FKYXBEFOBROELP-CABCVRRESA-N 2 0 278.444 2.581 20 0 CFADRP F[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335426166 294729309 /nfs/dbraw/zinc/72/93/09/294729309.db2.gz ZHZYPCFAYBPQNH-HIFRSBDPSA-N 2 0 277.387 2.921 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423164426 294992289 /nfs/dbraw/zinc/99/22/89/294992289.db2.gz OOFNLZIRQBDAKV-STQMWFEESA-N 2 0 282.403 2.872 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000415012561 295140468 /nfs/dbraw/zinc/14/04/68/295140468.db2.gz JJXFEMFNBXNNAV-KBPBESRZSA-N 2 0 294.439 2.742 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCC1 ZINC000414873357 295209211 /nfs/dbraw/zinc/20/92/11/295209211.db2.gz HBWYFDGMMDTRPR-UHFFFAOYSA-N 2 0 250.308 2.579 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423329220 295210283 /nfs/dbraw/zinc/21/02/83/295210283.db2.gz OGOHQCOQSPBUIC-STQMWFEESA-N 2 0 292.423 2.667 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000423143447 295223929 /nfs/dbraw/zinc/22/39/29/295223929.db2.gz DDKGGMZKQSKVRP-ROKHWSDSSA-N 2 0 276.449 2.983 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423177990 295231287 /nfs/dbraw/zinc/23/12/87/295231287.db2.gz BKLJABHEICYPRJ-MRXNPFEDSA-N 2 0 274.408 2.718 20 0 CFADRP COc1ccc([C@H]2CCCCC[N@@H+]2CCC[NH3+])cc1 ZINC000414685096 295247878 /nfs/dbraw/zinc/24/78/78/295247878.db2.gz XWEBSQHFDUXLIE-MRXNPFEDSA-N 2 0 262.397 2.961 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423110550 295250917 /nfs/dbraw/zinc/25/09/17/295250917.db2.gz PCTZQEXTKAZCTO-WDEREUQCSA-N 2 0 264.335 2.826 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000422896738 295255668 /nfs/dbraw/zinc/25/56/68/295255668.db2.gz AULHCJLIKCRGCJ-XLAORIBOSA-N 2 0 288.435 2.871 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000335028383 295325136 /nfs/dbraw/zinc/32/51/36/295325136.db2.gz IZDQZQABUKMYSZ-PCHAPFSGSA-N 2 0 285.435 2.738 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000334864495 295335026 /nfs/dbraw/zinc/33/50/26/295335026.db2.gz QBVAEBGMPBPKGY-DLBZAZTESA-N 2 0 280.456 2.785 20 0 CFADRP CSC1(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCC1 ZINC000336679503 295581648 /nfs/dbraw/zinc/58/16/48/295581648.db2.gz ASJPFIGEBLDWNG-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000261555673 297108311 /nfs/dbraw/zinc/10/83/11/297108311.db2.gz BQBBUSSQABLJFY-KWCYVHTRSA-N 2 0 262.422 2.811 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422880735 297227953 /nfs/dbraw/zinc/22/79/53/297227953.db2.gz MOUYZHNWAMKVJW-MRLCAUJQSA-N 3 0 295.515 2.852 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414703285 297248525 /nfs/dbraw/zinc/24/85/25/297248525.db2.gz JLSQLLXZRYMLLW-ZBFHGGJFSA-N 2 0 275.440 2.573 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)[C@@H](C)O1 ZINC000423499097 297447924 /nfs/dbraw/zinc/44/79/24/297447924.db2.gz ALYJZFGQRSOZHH-XOUADPBQSA-N 2 0 262.397 2.622 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCNc3ccccc32)CCC[NH2+]C1 ZINC000335485216 297899923 /nfs/dbraw/zinc/89/99/23/297899923.db2.gz AVBMRFUNYZBOPT-IAGOWNOFSA-N 2 0 273.424 2.913 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000422786655 298963261 /nfs/dbraw/zinc/96/32/61/298963261.db2.gz QLMIHJFUBVNZIT-DARAHFNDSA-N 2 0 262.397 2.622 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c[nH]c21 ZINC000422775237 302053464 /nfs/dbraw/zinc/05/34/64/302053464.db2.gz ATVXNUDOEVDVLJ-QWHCGFSZSA-N 2 0 259.397 2.734 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415089572 302107090 /nfs/dbraw/zinc/10/70/90/302107090.db2.gz YXOYQODZRYCDFO-HOTGVXAUSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422998575 302107417 /nfs/dbraw/zinc/10/74/17/302107417.db2.gz QTASGFPMMOOYOX-UWWQBHOKSA-N 2 0 288.435 2.883 20 0 CFADRP Cc1c[nH+]ccc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000335204292 302387143 /nfs/dbraw/zinc/38/71/43/302387143.db2.gz AVBQOYWITJSFJS-CYBMUJFWSA-N 2 0 259.397 2.701 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC(F)F ZINC000422814186 533695287 /nfs/dbraw/zinc/69/52/87/533695287.db2.gz TYMQDZNCYWLNRX-NXEZZACHSA-N 2 0 288.338 2.512 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000331828849 302658847 /nfs/dbraw/zinc/65/88/47/302658847.db2.gz QCUVELDRTMZYSY-MBNYWOFBSA-N 2 0 279.453 2.936 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@H]([NH+](C)C)C2)c1Cl ZINC000334194534 302709448 /nfs/dbraw/zinc/70/94/48/302709448.db2.gz JCCMIKWQGZHOAS-NSHDSACASA-N 2 0 253.777 2.574 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423044551 302730124 /nfs/dbraw/zinc/73/01/24/302730124.db2.gz BHJVTKNXNAYTTC-SRVKXCTJSA-N 2 0 266.433 2.723 20 0 CFADRP FC(F)C1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423539013 303122058 /nfs/dbraw/zinc/12/20/58/303122058.db2.gz HNYZYWUPNNUQCI-QNOVJUQQSA-N 2 0 272.383 2.788 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423549490 303132330 /nfs/dbraw/zinc/13/23/30/303132330.db2.gz SFDIDEBQXXFTIW-SMKXDYDZSA-N 2 0 274.383 2.791 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CCSC1 ZINC000230008017 303378212 /nfs/dbraw/zinc/37/82/12/303378212.db2.gz VVIHUZLFWMKFFV-OAHLLOKOSA-N 2 0 264.438 2.591 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000037713832 303379887 /nfs/dbraw/zinc/37/98/87/303379887.db2.gz CDECWSOBSXTHTO-LBPRGKRZSA-N 2 0 299.212 2.601 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000423498640 303410489 /nfs/dbraw/zinc/41/04/89/303410489.db2.gz HALXJRPREVUNTM-KYOSRNDESA-N 2 0 278.371 2.756 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420336112 303470534 /nfs/dbraw/zinc/47/05/34/303470534.db2.gz QFZGSGVBKSUGFK-OLZOCXBDSA-N 2 0 294.361 2.547 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000162976170 322370847 /nfs/dbraw/zinc/37/08/47/322370847.db2.gz IZIBHPIGPHGHGS-BXUZGUMPSA-N 2 0 268.351 2.580 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000163872150 322379244 /nfs/dbraw/zinc/37/92/44/322379244.db2.gz GJZCMINTXKZBDU-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000168293601 322389264 /nfs/dbraw/zinc/38/92/64/322389264.db2.gz JXSVHLCHBLXCNY-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP c1ccc([C@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000569802350 322497271 /nfs/dbraw/zinc/49/72/71/322497271.db2.gz XANUMOVLWOECBI-IAGOWNOFSA-N 2 0 258.409 2.912 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)c1 ZINC000570077234 322513004 /nfs/dbraw/zinc/51/30/04/322513004.db2.gz QAEVVOJJRZYWLV-GOSISDBHSA-N 2 0 272.436 2.905 20 0 CFADRP [NH3+]CCCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000571556723 322587857 /nfs/dbraw/zinc/58/78/57/322587857.db2.gz OIUVVFXAQHRNLF-UHFFFAOYSA-N 2 0 289.423 2.740 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000571669296 322591807 /nfs/dbraw/zinc/59/18/07/322591807.db2.gz DWZFSOZGUVHMSB-ZIAGYGMSSA-N 2 0 250.386 2.561 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000571862521 322598534 /nfs/dbraw/zinc/59/85/34/322598534.db2.gz HPNGPDJQTLWXKY-DZGCQCFKSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)C1 ZINC000572855777 322634935 /nfs/dbraw/zinc/63/49/35/322634935.db2.gz LWUQAKMTNDJECQ-DLBZAZTESA-N 2 0 287.451 2.763 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000573220875 322649098 /nfs/dbraw/zinc/64/90/98/322649098.db2.gz RKQBXQYGTKBLAP-IMJJTQAJSA-N 2 0 284.407 2.793 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)n1 ZINC000574307890 322688597 /nfs/dbraw/zinc/68/85/97/322688597.db2.gz CBQLGHBBMPZXQX-PFSRBDOWSA-N 2 0 292.427 2.654 20 0 CFADRP [NH3+]CCC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000574332858 322689506 /nfs/dbraw/zinc/68/95/06/322689506.db2.gz WLRSPVQOQLUMIT-INIZCTEOSA-N 2 0 262.372 2.874 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000575248583 322723210 /nfs/dbraw/zinc/72/32/10/322723210.db2.gz LYYUUGZHDQORJT-RDJZCZTQSA-N 2 0 292.467 2.546 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(CC)CC ZINC000181700302 323822145 /nfs/dbraw/zinc/82/21/45/323822145.db2.gz BFEBWZSSLMYSFK-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C2CC2)C2CCCC2)CC1 ZINC000192737170 324064394 /nfs/dbraw/zinc/06/43/94/324064394.db2.gz WWQWNBBDLGDIDS-UHFFFAOYSA-N 2 0 293.499 2.810 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccn1 ZINC000211812836 324110984 /nfs/dbraw/zinc/11/09/84/324110984.db2.gz LPYABYIJZFNKSV-UHFFFAOYSA-N 2 0 281.403 2.749 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CC(F)(F)C1 ZINC000383485479 324439842 /nfs/dbraw/zinc/43/98/42/324439842.db2.gz FGSPITLEPGUKFK-WCQYABFASA-N 2 0 260.372 2.932 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCCSC1 ZINC000384160410 324443931 /nfs/dbraw/zinc/44/39/31/324443931.db2.gz RJPCENPJLCOSNM-GBJTYRQASA-N 2 0 268.470 2.640 20 0 CFADRP COc1cccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1OC ZINC000387270038 324490516 /nfs/dbraw/zinc/49/05/16/324490516.db2.gz STVWOFYAPXUFJT-UHFFFAOYSA-N 2 0 294.439 2.914 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])COCc1ccccc1 ZINC000389954902 324522661 /nfs/dbraw/zinc/52/26/61/324522661.db2.gz VYQXCXXIDFJRET-HYVNUMGLSA-N 2 0 276.424 2.556 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000577191854 324708845 /nfs/dbraw/zinc/70/88/45/324708845.db2.gz YRJUHUNSPHXVQA-DTWKUNHWSA-N 2 0 293.358 2.564 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578083087 324815147 /nfs/dbraw/zinc/81/51/47/324815147.db2.gz KLOFMARLQMAGDF-ZIAGYGMSSA-N 2 0 261.413 2.739 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1cccs1 ZINC000578518511 324860410 /nfs/dbraw/zinc/86/04/10/324860410.db2.gz MYLDAVZTCRMSKT-GXTWGEPZSA-N 2 0 252.427 2.788 20 0 CFADRP c1ccc2c(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)ccnc2c1 ZINC000578860209 324895996 /nfs/dbraw/zinc/89/59/96/324895996.db2.gz UZQTUTLQKFRLHO-FUHWJXTLSA-N 2 0 281.403 2.713 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000580182227 325012823 /nfs/dbraw/zinc/01/28/23/325012823.db2.gz YDAIUNIAVQKRIG-IAOVAPTHSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H](C[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000580259442 325019423 /nfs/dbraw/zinc/01/94/23/325019423.db2.gz IHPYKUCKEZWSEI-CYBMUJFWSA-N 2 0 252.377 2.813 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)c1 ZINC000580311409 325024854 /nfs/dbraw/zinc/02/48/54/325024854.db2.gz DTPCGZOWVTYMIF-GOSISDBHSA-N 2 0 288.435 2.606 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000580431926 325034668 /nfs/dbraw/zinc/03/46/68/325034668.db2.gz XCPSEJPAHDPEMB-RYUDHWBXSA-N 2 0 292.814 2.741 20 0 CFADRP Cc1ncc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)n1C ZINC000580660873 325054636 /nfs/dbraw/zinc/05/46/36/325054636.db2.gz WSKJOGDGMRIRHH-DZGCQCFKSA-N 2 0 279.428 2.659 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000580768432 325062258 /nfs/dbraw/zinc/06/22/58/325062258.db2.gz DYOIAISRRFDNFO-KBPBESRZSA-N 2 0 252.427 2.930 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581119303 325091622 /nfs/dbraw/zinc/09/16/22/325091622.db2.gz MWIWVRWNUXGJCE-BZPMIXESSA-N 2 0 252.427 2.786 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000581200012 325100505 /nfs/dbraw/zinc/10/05/05/325100505.db2.gz LIDACASHMFKQBM-ILXRZTDVSA-N 2 0 262.397 2.622 20 0 CFADRP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000581245733 325103458 /nfs/dbraw/zinc/10/34/58/325103458.db2.gz USWSHGLHNIAVOY-ZACQAIPSSA-N 2 0 298.434 2.616 20 0 CFADRP Cc1nc(C[NH2+]CCCCC[NH+]2CCCCC2)[nH]c1C ZINC000581835977 325153089 /nfs/dbraw/zinc/15/30/89/325153089.db2.gz POMDUASWPMRWIF-UHFFFAOYSA-N 2 0 278.444 2.772 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000581937843 325160981 /nfs/dbraw/zinc/16/09/81/325160981.db2.gz WOXBLUZJJOUBPW-HNNXBMFYSA-N 2 0 291.439 2.690 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C1 ZINC000582192095 325185486 /nfs/dbraw/zinc/18/54/86/325185486.db2.gz YDZQQQNGSOHIAI-GJZGRUSLSA-N 2 0 262.372 2.717 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C1 ZINC000582192096 325185552 /nfs/dbraw/zinc/18/55/52/325185552.db2.gz YDZQQQNGSOHIAI-HUUCEWRRSA-N 2 0 262.372 2.717 20 0 CFADRP Cc1cnccc1CC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000582238628 325188731 /nfs/dbraw/zinc/18/87/31/325188731.db2.gz MHECFGFEOHERKJ-HNNXBMFYSA-N 2 0 264.413 2.661 20 0 CFADRP COc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000582550441 325214122 /nfs/dbraw/zinc/21/41/22/325214122.db2.gz QOLZWCDKTNGUHN-CYBMUJFWSA-N 2 0 280.387 2.608 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000582857005 325240828 /nfs/dbraw/zinc/24/08/28/325240828.db2.gz WMUIUZJSVFORAF-KSZLIROESA-N 2 0 290.451 2.884 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[NH3+])CC3 ZINC000582958625 325247606 /nfs/dbraw/zinc/24/76/06/325247606.db2.gz JLKLZHOPULHOIJ-CDHAZOANSA-N 2 0 283.419 2.803 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000583345072 325279955 /nfs/dbraw/zinc/27/99/55/325279955.db2.gz NRAXNMAARVFAHG-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCCCCOc2ccccc2)C1 ZINC000583630794 325300253 /nfs/dbraw/zinc/30/02/53/325300253.db2.gz UMAPUDBRYFLNMY-INIZCTEOSA-N 2 0 276.424 2.906 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000583822310 325313139 /nfs/dbraw/zinc/31/31/39/325313139.db2.gz HUXBFNYZIVMJGA-ZDUSSCGKSA-N 2 0 276.428 2.558 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000583882580 325317008 /nfs/dbraw/zinc/31/70/08/325317008.db2.gz MRIPIZAVCWJDDU-KGLIPLIRSA-N 2 0 290.407 2.552 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000583934876 325319969 /nfs/dbraw/zinc/31/99/69/325319969.db2.gz ZBNHDPLIVBJHQQ-SFHVURJKSA-N 2 0 266.388 2.792 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000584212638 325337695 /nfs/dbraw/zinc/33/76/95/325337695.db2.gz VLKPMPFKTPIMLD-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000584244109 325341464 /nfs/dbraw/zinc/34/14/64/325341464.db2.gz PYQSTWYQPLEFFW-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000423322335 533710202 /nfs/dbraw/zinc/71/02/02/533710202.db2.gz GYGFOWFVIOZRSE-CJNGLKHVSA-N 2 0 262.397 2.736 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccncc2)CC1 ZINC000156609639 519843078 /nfs/dbraw/zinc/84/30/78/519843078.db2.gz YJZGDNPNRPCLJJ-CQSZACIVSA-N 2 0 261.413 2.854 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000156949746 519861374 /nfs/dbraw/zinc/86/13/74/519861374.db2.gz KKUGSMOUMWWWNW-QWHCGFSZSA-N 2 0 281.469 2.881 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000357043644 500848040 /nfs/dbraw/zinc/84/80/40/500848040.db2.gz GTOVLEITZNBZIQ-QGZVFWFLSA-N 2 0 288.435 2.825 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCCO1 ZINC000161704492 521670085 /nfs/dbraw/zinc/67/00/85/521670085.db2.gz FODALMHOWFSJAX-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CCSCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000302405364 521705888 /nfs/dbraw/zinc/70/58/88/521705888.db2.gz PFXRWMRGBJLGBE-KBPBESRZSA-N 2 0 250.411 2.864 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423012937 533750025 /nfs/dbraw/zinc/75/00/25/533750025.db2.gz LONIJFMIBNNREF-CPUCHLNUSA-N 2 0 276.424 2.604 20 0 CFADRP Cc1cc(F)c(C[NH+]2CCC(C[NH3+])CC2)c(Cl)c1 ZINC000414662812 533808155 /nfs/dbraw/zinc/80/81/55/533808155.db2.gz ZTPMTHIINGRKQH-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1Oc2ccccc2[C@@H]1C ZINC000422922119 533812668 /nfs/dbraw/zinc/81/26/68/533812668.db2.gz SADVHBIAODSPLB-KYZJMNQTSA-N 2 0 286.419 2.812 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423546110 533840242 /nfs/dbraw/zinc/84/02/42/533840242.db2.gz YQUYONSVLBOGFE-ZDUSSCGKSA-N 2 0 291.414 2.852 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000422881545 533846298 /nfs/dbraw/zinc/84/62/98/533846298.db2.gz YWNWXLGEEFLAFH-VYDXJSESSA-N 2 0 278.440 2.648 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414814124 533860921 /nfs/dbraw/zinc/86/09/21/533860921.db2.gz ZAJVFPGKJYERLM-FZMZJTMJSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423250455 533865461 /nfs/dbraw/zinc/86/54/61/533865461.db2.gz QGOXQSLSOFRPDE-FSDCSDTHSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423247335 533866891 /nfs/dbraw/zinc/86/68/91/533866891.db2.gz LESHAQXOMLYEFP-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc(-c2ccccc2)n1C ZINC000423253816 533867589 /nfs/dbraw/zinc/86/75/89/533867589.db2.gz WKVIKKXHCBILBG-LSDHHAIUSA-N 2 0 298.434 2.737 20 0 CFADRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1SC ZINC000414912162 533871136 /nfs/dbraw/zinc/87/11/36/533871136.db2.gz VECGVZYIKYVKQQ-UHFFFAOYSA-N 2 0 294.464 2.896 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422758755 533873555 /nfs/dbraw/zinc/87/35/55/533873555.db2.gz JWQDUXYRUHFNLI-UKRRQHHQSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423144706 533869414 /nfs/dbraw/zinc/86/94/14/533869414.db2.gz HSBKBAMTWMEIKI-VXGBXAGGSA-N 2 0 250.411 2.593 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000422925037 533869875 /nfs/dbraw/zinc/86/98/75/533869875.db2.gz UXWGGCNHTIHPKP-NEPJUHHUSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000415024651 533870219 /nfs/dbraw/zinc/87/02/19/533870219.db2.gz PHYYYPQUMCBFBA-CQSZACIVSA-N 2 0 269.392 2.966 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423460954 533875466 /nfs/dbraw/zinc/87/54/66/533875466.db2.gz SESPGWSAUBKXSU-KBMXLJTQSA-N 2 0 276.424 2.950 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423253868 533884996 /nfs/dbraw/zinc/88/49/96/533884996.db2.gz WQUBFYFEDMHLFT-NEPJUHHUSA-N 2 0 282.815 2.999 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414821427 533888151 /nfs/dbraw/zinc/88/81/51/533888151.db2.gz LFFYKPQZGFOKSK-ORQFMDKSSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1c[nH+]ccc1N ZINC000422896681 533895647 /nfs/dbraw/zinc/89/56/47/533895647.db2.gz YQHMPUKOKMYDOQ-SUMWQHHRSA-N 2 0 290.455 2.655 20 0 CFADRP C[C@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422706431 533902950 /nfs/dbraw/zinc/90/29/50/533902950.db2.gz DZKQFZHIRGPQFE-RRQGHBQHSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000414857168 533928228 /nfs/dbraw/zinc/92/82/28/533928228.db2.gz PAUKTXFFTXCNDV-WCQYABFASA-N 2 0 252.789 2.818 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423178991 533944548 /nfs/dbraw/zinc/94/45/48/533944548.db2.gz CNOSBJJRDGPKDF-LLVKDONJSA-N 2 0 292.814 2.834 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@H](C)CCCC[NH3+] ZINC000415013808 533952438 /nfs/dbraw/zinc/95/24/38/533952438.db2.gz LAJMFERHPKGZMA-DNGMOHDESA-N 2 0 262.397 2.816 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423207082 533981509 /nfs/dbraw/zinc/98/15/09/533981509.db2.gz GOSQNAHAMRMQPM-OLZOCXBDSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415042886 534002909 /nfs/dbraw/zinc/00/29/09/534002909.db2.gz RJSFCFTZHHFJNV-KWCYVHTRSA-N 2 0 252.427 2.786 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000425344002 534004490 /nfs/dbraw/zinc/00/44/90/534004490.db2.gz INORYCUZJIIHOD-JHJVBQTASA-N 2 0 258.475 2.836 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)C1C[NH2+]C1 ZINC000423096966 534012941 /nfs/dbraw/zinc/01/29/41/534012941.db2.gz QDXGRVMRKJEACB-RBOXIYTFSA-N 2 0 262.372 2.659 20 0 CFADRP C[C@H](C[N@H+](C)C1CC([NH3+])C1)c1cccc(Cl)c1 ZINC000414779893 534020046 /nfs/dbraw/zinc/02/00/46/534020046.db2.gz RXTUUUAYMYORFX-GWMXKSKGSA-N 2 0 252.789 2.865 20 0 CFADRP COc1ccccc1CCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420289728 534025448 /nfs/dbraw/zinc/02/54/48/534025448.db2.gz IFDXEWFILZSZQU-AWEZNQCLSA-N 2 0 276.424 2.687 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000414892394 534059548 /nfs/dbraw/zinc/05/95/48/534059548.db2.gz PPIJLLZJGABJNS-IINYFYTJSA-N 2 0 297.240 2.880 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414839608 534064418 /nfs/dbraw/zinc/06/44/18/534064418.db2.gz XXSLUAVBVLZJCL-CYBMUJFWSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000422786834 534069098 /nfs/dbraw/zinc/06/90/98/534069098.db2.gz SZNRZERCFJBYFU-PBHICJAKSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774311 534073160 /nfs/dbraw/zinc/07/31/60/534073160.db2.gz WOJBLULFYYLKII-PBHICJAKSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cc(F)c(F)c(F)c2)CC[NH2+]1 ZINC000414702595 534078016 /nfs/dbraw/zinc/07/80/16/534078016.db2.gz ICEPWKRPCXTMAR-QWRGUYRKSA-N 2 0 286.341 2.924 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422784671 534081947 /nfs/dbraw/zinc/08/19/47/534081947.db2.gz QCWKUAUMGUKVPB-BZPMIXESSA-N 2 0 252.427 2.657 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+]CCCC[NH3+])C(C)C ZINC000423335058 534108269 /nfs/dbraw/zinc/10/82/69/534108269.db2.gz TVLVKWISFAYAEA-OAHLLOKOSA-N 2 0 264.413 2.591 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000425363188 534110888 /nfs/dbraw/zinc/11/08/88/534110888.db2.gz WECUVAYIXWLTGV-HOAMVYINSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422741757 534167672 /nfs/dbraw/zinc/16/76/72/534167672.db2.gz QLUOAKNYRBXOBT-KBPBESRZSA-N 2 0 290.451 2.949 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC(C)(F)F ZINC000423146483 534177902 /nfs/dbraw/zinc/17/79/02/534177902.db2.gz PNCSRXATGRXCHR-GXTWGEPZSA-N 2 0 270.367 2.970 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1 ZINC000422753457 534179422 /nfs/dbraw/zinc/17/94/22/534179422.db2.gz IIMQUEOZOXQRCH-MAUKXSAKSA-N 2 0 284.403 2.614 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)ccc1F ZINC000447600161 535903917 /nfs/dbraw/zinc/90/39/17/535903917.db2.gz ZPGNYGDCNLQVGU-HNNXBMFYSA-N 2 0 286.366 2.584 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414880017 534186787 /nfs/dbraw/zinc/18/67/87/534186787.db2.gz QGVUZMAWHIYMKF-CVEARBPZSA-N 2 0 258.409 2.968 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423168294 534200797 /nfs/dbraw/zinc/20/07/97/534200797.db2.gz UFROACQUENKMIY-HOTGVXAUSA-N 3 0 281.488 2.761 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414911485 534202304 /nfs/dbraw/zinc/20/23/04/534202304.db2.gz UEBMLCGTJPSJBY-UHFFFAOYSA-N 2 0 298.434 2.864 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@H]3CCC[C@H]3[NH3+])co2)cc1 ZINC000422875034 534213265 /nfs/dbraw/zinc/21/32/65/534213265.db2.gz BJIOZYRGKXDVPL-CVEARBPZSA-N 2 0 285.391 2.662 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423333169 534266883 /nfs/dbraw/zinc/26/68/83/534266883.db2.gz VMNJCFIYURBDLJ-NHYWBVRUSA-N 2 0 258.365 2.691 20 0 CFADRP Cc1c[nH+]ccc1NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000358941181 518186249 /nfs/dbraw/zinc/18/62/49/518186249.db2.gz XPRHUVKCODQLQD-KBPBESRZSA-N 2 0 261.413 2.592 20 0 CFADRP C(=C/c1ccccc1)\C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336128111 518370788 /nfs/dbraw/zinc/37/07/88/518370788.db2.gz NAAUDROYVQJGQX-QPJJXVBHSA-N 2 0 256.393 2.775 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOC1CCCCC1 ZINC000422948538 534350008 /nfs/dbraw/zinc/35/00/08/534350008.db2.gz SFVGRSZELBWONB-CYBMUJFWSA-N 2 0 291.439 2.849 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000224390262 518708242 /nfs/dbraw/zinc/70/82/42/518708242.db2.gz MWKRHZJWRUQREA-LBPRGKRZSA-N 2 0 256.459 2.592 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414829132 534404740 /nfs/dbraw/zinc/40/47/40/534404740.db2.gz KDXWQKHTQJFAJV-GFCCVEGCSA-N 2 0 288.313 2.674 20 0 CFADRP CC(C)CCC[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000338435979 519641044 /nfs/dbraw/zinc/64/10/44/519641044.db2.gz GRTOXOASDBAVHR-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000089749267 519650870 /nfs/dbraw/zinc/65/08/70/519650870.db2.gz TURYMBLLURDZHI-CYBMUJFWSA-N 2 0 252.427 2.958 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cnccn2)CC1 ZINC000163583230 519653534 /nfs/dbraw/zinc/65/35/34/519653534.db2.gz XNSJKEVATKAMLX-OAHLLOKOSA-N 2 0 290.455 2.885 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000191464906 519681113 /nfs/dbraw/zinc/68/11/13/519681113.db2.gz FBGLHTKDUFCQKC-INIZCTEOSA-N 2 0 293.455 2.689 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C3CC3)C2)CC1 ZINC000367994461 519681252 /nfs/dbraw/zinc/68/12/52/519681252.db2.gz SAGCHAOMEHACPK-SFHVURJKSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000191511981 519681572 /nfs/dbraw/zinc/68/15/72/519681572.db2.gz JVDGKGWNVRCTTN-MSOLQXFVSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000167573893 519720797 /nfs/dbraw/zinc/72/07/97/519720797.db2.gz MSXLFYPZXXOKDB-BBWFWOEESA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000053012500 519746091 /nfs/dbraw/zinc/74/60/91/519746091.db2.gz FNQOXGIANWHVMJ-QGZVFWFLSA-N 2 0 260.425 2.797 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049554012 519779943 /nfs/dbraw/zinc/77/99/43/519779943.db2.gz RKDIYASQNISTNC-CQSZACIVSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCCC1CCOCC1 ZINC000311829818 519796381 /nfs/dbraw/zinc/79/63/81/519796381.db2.gz LLFCUABITYBFTJ-INIZCTEOSA-N 2 0 270.461 2.889 20 0 CFADRP CC(C)[C@H](C[NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000232747910 519815965 /nfs/dbraw/zinc/81/59/65/519815965.db2.gz FQLBYZCJMGMAPY-KRWDZBQOSA-N 2 0 278.440 2.594 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000068626672 519816197 /nfs/dbraw/zinc/81/61/97/519816197.db2.gz HSDJBDGRNPFEAL-XDNAFOTISA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000339408197 519817678 /nfs/dbraw/zinc/81/76/78/519817678.db2.gz RGRZNJZOESTURZ-CQSZACIVSA-N 2 0 292.452 2.943 20 0 CFADRP CCC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCOCC1 ZINC000311539604 519842401 /nfs/dbraw/zinc/84/24/01/519842401.db2.gz NAQBKZFUUJRAEW-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+](CC(CC)CC)CC2)CC1 ZINC000153886049 519844622 /nfs/dbraw/zinc/84/46/22/519844622.db2.gz BVLUWEROSJIVFY-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000158032450 519846958 /nfs/dbraw/zinc/84/69/58/519846958.db2.gz BROXQEJQAGCDEI-AWEZNQCLSA-N 2 0 256.459 2.736 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000157104496 519914458 /nfs/dbraw/zinc/91/44/58/519914458.db2.gz GEGOZFNHSHGWSH-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000414842840 534464885 /nfs/dbraw/zinc/46/48/85/534464885.db2.gz ZPOSERUTOCNLJK-SNVBAGLBSA-N 2 0 290.304 2.934 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309807063 520138533 /nfs/dbraw/zinc/13/85/33/520138533.db2.gz UWOUPPASAMUJFK-BQFCYCMXSA-N 2 0 290.451 2.912 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309763904 520138766 /nfs/dbraw/zinc/13/87/66/520138766.db2.gz YVWSYBSUKKLDET-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000340235849 520259323 /nfs/dbraw/zinc/25/93/23/520259323.db2.gz NIWTZBVTGBVBDE-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000161740046 520285347 /nfs/dbraw/zinc/28/53/47/520285347.db2.gz CUYVABAKQUDSDX-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP CCO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000193427081 520314064 /nfs/dbraw/zinc/31/40/64/520314064.db2.gz ORNWHJZUMSPWQC-FBVQUNGASA-N 2 0 288.435 2.979 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C12CCCCC2 ZINC000312472823 520365242 /nfs/dbraw/zinc/36/52/42/520365242.db2.gz HAOLMFGRGXUXNG-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000311563842 520453721 /nfs/dbraw/zinc/45/37/21/520453721.db2.gz SOEVPJKZPQUOFW-CQSZACIVSA-N 2 0 264.413 2.763 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000334843533 520499467 /nfs/dbraw/zinc/49/94/67/520499467.db2.gz RDIZJCNGVHGIFI-MRXNPFEDSA-N 2 0 269.392 2.713 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250502 534502364 /nfs/dbraw/zinc/50/23/64/534502364.db2.gz QJUIMZUSCSBPBH-JSGCOSHPSA-N 2 0 262.422 2.813 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423166145 534503556 /nfs/dbraw/zinc/50/35/56/534503556.db2.gz QOZRIZLTZBFMHV-PCODUJHASA-N 2 0 298.430 2.878 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000191476884 520607915 /nfs/dbraw/zinc/60/79/15/520607915.db2.gz LTGSVXIUIIGMLS-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000310831110 520636495 /nfs/dbraw/zinc/63/64/95/520636495.db2.gz GPGGKIHXXLQMFG-QWHCGFSZSA-N 2 0 252.406 2.571 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423216373 534509773 /nfs/dbraw/zinc/50/97/73/534509773.db2.gz RUVXQKJGKTXTTD-BFYDXBDKSA-N 2 0 273.424 2.697 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(C)nc1 ZINC000339283486 520759819 /nfs/dbraw/zinc/75/98/19/520759819.db2.gz VOTMOZPGAFJYDF-UHFFFAOYSA-N 2 0 298.434 2.917 20 0 CFADRP Fc1cccc(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420298390 534519245 /nfs/dbraw/zinc/51/92/45/534519245.db2.gz FCPFCQBJIUGSSE-YOEHRIQHSA-N 2 0 276.399 2.832 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414855643 534522408 /nfs/dbraw/zinc/52/24/08/534522408.db2.gz XAPOXMDKIVYLTI-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422940119 534524153 /nfs/dbraw/zinc/52/41/53/534524153.db2.gz ISIDEWMDENKRNN-BBWFWOEESA-N 2 0 292.398 2.715 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423169985 534533050 /nfs/dbraw/zinc/53/30/50/534533050.db2.gz KVQQXLWHYGHPRL-WKVXFZQGSA-N 2 0 260.356 2.554 20 0 CFADRP CCC(CC)[N@H+](CCCC1CC[NH2+]CC1)CCOC ZINC000050953762 521551428 /nfs/dbraw/zinc/55/14/28/521551428.db2.gz LQELQFBCFYMRON-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccsc2C)C1 ZINC000339220567 521643452 /nfs/dbraw/zinc/64/34/52/521643452.db2.gz NLQUQQFQEDNXQG-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC000358194134 521707743 /nfs/dbraw/zinc/70/77/43/521707743.db2.gz BFHAUNZMZVIXRH-STQMWFEESA-N 2 0 296.377 2.665 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000310656425 521710370 /nfs/dbraw/zinc/71/03/70/521710370.db2.gz BYPVMNBQQTUDPK-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000149638764 521711232 /nfs/dbraw/zinc/71/12/32/521711232.db2.gz NPQUMMXPXCZAAX-BLLLJJGKSA-N 2 0 278.827 2.739 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ncccc3C)CC2)[C@@H](C)C1 ZINC000366018172 521714929 /nfs/dbraw/zinc/71/49/29/521714929.db2.gz SFMYURXXUUYQGP-JKSUJKDBSA-N 2 0 287.451 2.742 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCc2nc3ccccc3[nH]2)CC1 ZINC000422706665 534593728 /nfs/dbraw/zinc/59/37/28/534593728.db2.gz UUPPOMKZAFCWFM-UHFFFAOYSA-N 2 0 286.423 2.603 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309901246 521919720 /nfs/dbraw/zinc/91/97/20/521919720.db2.gz OXZTUMZRQOCZJU-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000423032220 534606554 /nfs/dbraw/zinc/60/65/54/534606554.db2.gz FBVOHAZWXFVNLS-QWRGUYRKSA-N 2 0 255.431 2.662 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000309869830 522084526 /nfs/dbraw/zinc/08/45/26/522084526.db2.gz QTIGXVZCLBKRJZ-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246499305 522241819 /nfs/dbraw/zinc/24/18/19/522241819.db2.gz SLEAHCYPHZDXFV-CKEIUWERSA-N 2 0 276.424 2.822 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158202945 522257637 /nfs/dbraw/zinc/25/76/37/522257637.db2.gz JFEZJCGWLFQRGN-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000157950970 522258284 /nfs/dbraw/zinc/25/82/84/522258284.db2.gz RNRSYRQUHRAVOZ-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000234706562 522287518 /nfs/dbraw/zinc/28/75/18/522287518.db2.gz TZSWAQAFGDRFNV-GOSISDBHSA-N 2 0 290.451 2.695 20 0 CFADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000164567043 522328439 /nfs/dbraw/zinc/32/84/39/522328439.db2.gz UQMWEAMQVCUKHE-BBRMVZONSA-N 2 0 289.423 2.737 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1C ZINC000339408581 522351682 /nfs/dbraw/zinc/35/16/82/522351682.db2.gz UBOUORPJDNWGED-OAHLLOKOSA-N 2 0 264.413 2.809 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422777322 534634669 /nfs/dbraw/zinc/63/46/69/534634669.db2.gz FIMBGUXHLKFHOD-HOCLYGCPSA-N 2 0 260.425 2.990 20 0 CFADRP Clc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414791417 534634774 /nfs/dbraw/zinc/63/47/74/534634774.db2.gz QVICAPCUQJIGIM-UHFFFAOYSA-N 2 0 290.798 2.572 20 0 CFADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423318960 534639716 /nfs/dbraw/zinc/63/97/16/534639716.db2.gz LFZAQZARDNDYBL-HOCLYGCPSA-N 2 0 278.827 2.860 20 0 CFADRP COC1(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCCC1 ZINC000319239372 522628188 /nfs/dbraw/zinc/62/81/88/522628188.db2.gz WLSUREWUKOLPCT-UHFFFAOYSA-N 2 0 268.445 2.844 20 0 CFADRP COC1(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCCCC1 ZINC000319533243 522631197 /nfs/dbraw/zinc/63/11/97/522631197.db2.gz AQKGCRWZICPPEG-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP COC1CC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336657345 522666993 /nfs/dbraw/zinc/66/69/93/522666993.db2.gz QFFKIEFNKSQSKR-VFPGXZCRSA-N 2 0 288.435 2.664 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000234804353 522668510 /nfs/dbraw/zinc/66/85/10/522668510.db2.gz YAVGRCATEPAXMM-KSSFIOAISA-N 2 0 290.451 2.970 20 0 CFADRP COC[C@H](CCC[NH3+])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000234774044 522668741 /nfs/dbraw/zinc/66/87/41/522668741.db2.gz TZSWAQAFGDRFNV-SFHVURJKSA-N 2 0 290.451 2.695 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000158677525 522828052 /nfs/dbraw/zinc/82/80/52/522828052.db2.gz XFHXVBGFZKAXOZ-VVLHAWIVSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422939979 534664914 /nfs/dbraw/zinc/66/49/14/534664914.db2.gz MOPALXDREUPXKI-WBVHZDCISA-N 2 0 260.425 2.953 20 0 CFADRP CCc1noc(C)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000163467231 522836028 /nfs/dbraw/zinc/83/60/28/522836028.db2.gz QQQUNCHWJIZDID-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1OC ZINC000336792460 522932741 /nfs/dbraw/zinc/93/27/41/522932741.db2.gz SFGOQNJGCPNHTA-TZMCWYRMSA-N 2 0 250.386 2.863 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423106202 534689343 /nfs/dbraw/zinc/68/93/43/534689343.db2.gz OOQVCJTXUAXRQI-KZNAEPCWSA-N 2 0 287.451 2.833 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000423102331 534691419 /nfs/dbraw/zinc/69/14/19/534691419.db2.gz JVEHUBQEGASUHW-CQSZACIVSA-N 2 0 298.434 2.836 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000192714237 523535818 /nfs/dbraw/zinc/53/58/18/523535818.db2.gz UDZCFMJLBDQJCM-HMQMGEFJSA-N 2 0 274.408 2.589 20 0 CFADRP CN1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@H]1c1ccccc1 ZINC000340314381 523748368 /nfs/dbraw/zinc/74/83/68/523748368.db2.gz ANYYXKBPWHDYGV-MOPGFXCFSA-N 2 0 299.462 2.673 20 0 CFADRP Cn1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(C2CCCCC2)n1 ZINC000414828370 534733886 /nfs/dbraw/zinc/73/38/86/534733886.db2.gz ISCNOJWUFAKXSF-CQSZACIVSA-N 2 0 290.455 2.557 20 0 CFADRP CCc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC000336202866 523798175 /nfs/dbraw/zinc/79/81/75/523798175.db2.gz LXOJEHUBIMTRGJ-HNNXBMFYSA-N 2 0 273.424 2.812 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3csc4ccccc34)C[C@@H]2C1 ZINC000193647133 524016042 /nfs/dbraw/zinc/01/60/42/524016042.db2.gz WNTXLJKQRPADQB-BETUJISGSA-N 2 0 272.417 2.895 20 0 CFADRP CN1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc21 ZINC000364851592 524021571 /nfs/dbraw/zinc/02/15/71/524021571.db2.gz FGNWKIQOZCPDPT-CGTJXYLNSA-N 2 0 299.462 2.512 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)o1 ZINC000155758482 524025239 /nfs/dbraw/zinc/02/52/39/524025239.db2.gz IZXRBMDQOBTOHX-LSDHHAIUSA-N 2 0 293.455 2.519 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000336362878 524025563 /nfs/dbraw/zinc/02/55/63/524025563.db2.gz LPVJJERAPNUTEW-UHFFFAOYSA-N 2 0 274.408 2.755 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)o1 ZINC000155758599 524046619 /nfs/dbraw/zinc/04/66/19/524046619.db2.gz IZXRBMDQOBTOHX-GJZGRUSLSA-N 2 0 293.455 2.519 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000364849711 524046671 /nfs/dbraw/zinc/04/66/71/524046671.db2.gz BXISNGWOSVLRHH-OWCLPIDISA-N 2 0 282.472 2.759 20 0 CFADRP COc1cccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000049553171 524090126 /nfs/dbraw/zinc/09/01/26/524090126.db2.gz XDJHJANTMVULRH-QWHCGFSZSA-N 2 0 250.386 2.686 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334980312 524147237 /nfs/dbraw/zinc/14/72/37/524147237.db2.gz MVRBKASDJICMES-WMLDXEAASA-N 2 0 274.408 2.832 20 0 CFADRP C[C@H](CC[NH+](C)C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000049551838 524163243 /nfs/dbraw/zinc/16/32/43/524163243.db2.gz IDMXKRYCEWRMRH-MRXNPFEDSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000311017275 524308230 /nfs/dbraw/zinc/30/82/30/524308230.db2.gz YHWUIJXAOWOSQL-ZJUUUORDSA-N 2 0 258.312 2.533 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335024532 524312197 /nfs/dbraw/zinc/31/21/97/524312197.db2.gz ZBJIUGXYARDNRR-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000334980932 524450701 /nfs/dbraw/zinc/45/07/01/524450701.db2.gz REZFVBJMBIVBHA-NVXWUHKLSA-N 2 0 273.424 2.520 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000311722918 524473530 /nfs/dbraw/zinc/47/35/30/524473530.db2.gz PUDHETOJKHTYFT-GASCZTMLSA-N 2 0 262.372 2.566 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000088196227 524508492 /nfs/dbraw/zinc/50/84/92/524508492.db2.gz LJBAKWKQMDAIFC-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010080 524528734 /nfs/dbraw/zinc/52/87/34/524528734.db2.gz MXTRLYJRHAAKER-GDBMZVCRSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000157833952 524553766 /nfs/dbraw/zinc/55/37/66/524553766.db2.gz PKUHEFRJQOOFRF-GJZGRUSLSA-N 2 0 280.460 2.618 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000360700827 524561676 /nfs/dbraw/zinc/56/16/76/524561676.db2.gz DKHXJSYOUTZBMO-XJKSGUPXSA-N 2 0 280.387 2.524 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCOCC1 ZINC000422880571 534801942 /nfs/dbraw/zinc/80/19/42/534801942.db2.gz OMECQGISLIENDF-HOTGVXAUSA-N 2 0 290.451 2.759 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)c1ccccc1 ZINC000192672068 524735283 /nfs/dbraw/zinc/73/52/83/524735283.db2.gz YRFSKNRNESCMFQ-UNPWZGGWSA-N 2 0 287.451 2.726 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)Oc2ccccc2)CC[N@@H+]1C ZINC000361482415 524805918 /nfs/dbraw/zinc/80/59/18/524805918.db2.gz XSFVIBMWSIKJGE-GJZGRUSLSA-N 2 0 276.424 2.916 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000168632802 524846976 /nfs/dbraw/zinc/84/69/76/524846976.db2.gz RVWQVYOHXAIKGV-WMLDXEAASA-N 2 0 284.403 2.888 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000157108670 524849617 /nfs/dbraw/zinc/84/96/17/524849617.db2.gz XEZIYWDJPUIZKA-OAHLLOKOSA-N 2 0 252.377 2.939 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[NH3+] ZINC000235139236 524885058 /nfs/dbraw/zinc/88/50/58/524885058.db2.gz AMUAGLLMAMGLDL-NSHDSACASA-N 2 0 285.229 2.709 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000151487592 524897010 /nfs/dbraw/zinc/89/70/10/524897010.db2.gz UOGRJIPGCCVEFQ-DOMZBBRYSA-N 2 0 266.816 2.812 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)CC[N@@H+]1C ZINC000151306119 524928398 /nfs/dbraw/zinc/92/83/98/524928398.db2.gz TXCRLVIMGAPUTL-MAUKXSAKSA-N 2 0 298.434 2.504 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000361519601 524933345 /nfs/dbraw/zinc/93/33/45/524933345.db2.gz ORNOCRJDWHYGQW-HNNXBMFYSA-N 2 0 297.402 2.973 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000166886796 524973370 /nfs/dbraw/zinc/97/33/70/524973370.db2.gz UGDNEKORSIMBBH-XJKSGUPXSA-N 2 0 264.388 2.606 20 0 CFADRP Cc1cccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n21 ZINC000336054486 524993022 /nfs/dbraw/zinc/99/30/22/524993022.db2.gz GTFVRCNZXAQNLP-QGZVFWFLSA-N 2 0 298.434 2.607 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049553157 525328049 /nfs/dbraw/zinc/32/80/49/525328049.db2.gz IIQDJGLABUUPIS-STQMWFEESA-N 2 0 250.386 2.686 20 0 CFADRP CSC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCC1 ZINC000365659518 525330842 /nfs/dbraw/zinc/33/08/42/525330842.db2.gz BSHQFHYLBIMIBH-UHFFFAOYSA-N 2 0 268.470 2.879 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000310877927 525333800 /nfs/dbraw/zinc/33/38/00/525333800.db2.gz NCMOHIKSUDCQEV-OLZOCXBDSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCOC1 ZINC000157858050 525336331 /nfs/dbraw/zinc/33/63/31/525336331.db2.gz DHOZCYALLUDNBM-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195133873 525416077 /nfs/dbraw/zinc/41/60/77/525416077.db2.gz CZIMCVOFHHFOEZ-DOTOQJQBSA-N 2 0 298.434 2.593 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309697608 525437989 /nfs/dbraw/zinc/43/79/89/525437989.db2.gz FMDFQFOIWYGQOG-BPQIPLTHSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353540855 525492408 /nfs/dbraw/zinc/49/24/08/525492408.db2.gz QFJVKWMUIJKVDP-GJZGRUSLSA-N 2 0 275.440 2.740 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353540856 525492705 /nfs/dbraw/zinc/49/27/05/525492705.db2.gz QFJVKWMUIJKVDP-HUUCEWRRSA-N 2 0 275.440 2.740 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000366047414 525506615 /nfs/dbraw/zinc/50/66/15/525506615.db2.gz VBJFESDBSMGSKO-HOTGVXAUSA-N 2 0 285.435 2.638 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000366047415 525506700 /nfs/dbraw/zinc/50/67/00/525506700.db2.gz VBJFESDBSMGSKO-HZPDHXFCSA-N 2 0 285.435 2.638 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126409108 525524783 /nfs/dbraw/zinc/52/47/83/525524783.db2.gz AVDOAZWLIQMUQL-PXAZEXFGSA-N 2 0 276.399 2.990 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000360862593 525958190 /nfs/dbraw/zinc/95/81/90/525958190.db2.gz WLQGEDCUBUQSLS-NXHRZFHOSA-N 2 0 289.467 2.528 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000360862592 525960320 /nfs/dbraw/zinc/96/03/20/525960320.db2.gz WLQGEDCUBUQSLS-NJAFHUGGSA-N 2 0 289.467 2.528 20 0 CFADRP CSc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049553598 526007621 /nfs/dbraw/zinc/00/76/21/526007621.db2.gz GJVRFDDXMOZRHF-GFCCVEGCSA-N 2 0 252.427 2.838 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257746526 526057410 /nfs/dbraw/zinc/05/74/10/526057410.db2.gz UAOJBHZMJXHKAG-ZDUSSCGKSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070567 526057623 /nfs/dbraw/zinc/05/76/23/526057623.db2.gz ATOMRHGBSWWRTE-GFCCVEGCSA-N 2 0 298.377 2.856 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000193285705 526144410 /nfs/dbraw/zinc/14/44/10/526144410.db2.gz PMHNUJXVUZLMBP-NDNKKMJESA-N 2 0 279.453 2.770 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)ccc2n1 ZINC000228689281 526230890 /nfs/dbraw/zinc/23/08/90/526230890.db2.gz IVAQEAQYRZJOID-XJKSGUPXSA-N 2 0 269.392 2.712 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423139440 526274714 /nfs/dbraw/zinc/27/47/14/526274714.db2.gz KQULKOYRHOJSPP-WMLDXEAASA-N 2 0 258.409 2.850 20 0 CFADRP Fc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(F)c1F ZINC000336128325 526294667 /nfs/dbraw/zinc/29/46/67/526294667.db2.gz VJQYGCXABVGTOW-UHFFFAOYSA-N 2 0 284.325 2.679 20 0 CFADRP O[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364842201 526312280 /nfs/dbraw/zinc/31/22/80/526312280.db2.gz CVOYPHGHHGIQSK-WMZOPIPTSA-N 2 0 294.483 2.782 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH+]1CCC3(CC[NH2+]C3)CC1)CC2 ZINC000336528650 526373170 /nfs/dbraw/zinc/37/31/70/526373170.db2.gz QTBKTJGLEJFXEQ-MRXNPFEDSA-N 2 0 274.383 2.889 20 0 CFADRP c1[nH]c2ncccc2c1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000336409411 526395114 /nfs/dbraw/zinc/39/51/14/526395114.db2.gz MGIYEDDHMFWYPU-AWEZNQCLSA-N 2 0 298.434 2.742 20 0 CFADRP c1[nH]nc2c1cccc2C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334852153 526396547 /nfs/dbraw/zinc/39/65/47/526396547.db2.gz CNMCHLWDEKGWPA-MRXNPFEDSA-N 2 0 284.407 2.527 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000192931919 526470016 /nfs/dbraw/zinc/47/00/16/526470016.db2.gz BZJCYZCEGPBNSD-SFHVURJKSA-N 2 0 288.435 2.525 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCSC3)C2)cc1 ZINC000192922815 526470566 /nfs/dbraw/zinc/47/05/66/526470566.db2.gz SAYQGLPKAPYWCO-HZPDHXFCSA-N 2 0 276.449 2.604 20 0 CFADRP c1ccc(CSCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261994256 526475109 /nfs/dbraw/zinc/47/51/09/526475109.db2.gz KOANRHRQFLTVOF-INIZCTEOSA-N 2 0 276.449 2.605 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000334847241 526494484 /nfs/dbraw/zinc/49/44/84/526494484.db2.gz FLPVZOPCOUKIOO-IRXDYDNUSA-N 2 0 270.420 2.866 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423174531 526661998 /nfs/dbraw/zinc/66/19/98/526661998.db2.gz CKCIRBKZBRISMK-UTSKFRMZSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000415089030 526685217 /nfs/dbraw/zinc/68/52/17/526685217.db2.gz XCQGCFUMLGUSNG-VXGQWTEUSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1nc(C)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000192847058 526712873 /nfs/dbraw/zinc/71/28/73/526712873.db2.gz SJGPNZVJEPXVRN-AGUYFDCRSA-N 2 0 279.453 2.517 20 0 CFADRP CC(C)(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422961579 526801066 /nfs/dbraw/zinc/80/10/66/526801066.db2.gz ZHNKAGBLZHSULN-HUUCEWRRSA-N 2 0 276.424 2.832 20 0 CFADRP CC(C)(C)c1nc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cs1 ZINC000414857040 526864794 /nfs/dbraw/zinc/86/47/94/526864794.db2.gz ZPPMRBYIYZRARE-GFCCVEGCSA-N 2 0 281.469 2.920 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000051693000 527141367 /nfs/dbraw/zinc/14/13/67/527141367.db2.gz OPODQOAPFUVANV-UHFFFAOYSA-N 2 0 289.242 2.870 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000336165734 527141576 /nfs/dbraw/zinc/14/15/76/527141576.db2.gz YIPFXBMEWFDVLF-UHFFFAOYSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+]CC1CCC([N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000335006135 527166823 /nfs/dbraw/zinc/16/68/23/527166823.db2.gz BADCBFCTIHAIOY-NRXISQOPSA-N 2 0 268.470 2.723 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680906 527177550 /nfs/dbraw/zinc/17/75/50/527177550.db2.gz VKAZIKNIHCRQFJ-UHFFFAOYSA-N 2 0 261.394 2.639 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1=CCCC1 ZINC000423158946 527178229 /nfs/dbraw/zinc/17/82/29/527178229.db2.gz DTKONDYLJWLIIX-GVDBMIGSSA-N 2 0 292.467 2.870 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1cccnc1 ZINC000423184882 527178832 /nfs/dbraw/zinc/17/88/32/527178832.db2.gz NNXZPKMLSZRESH-CABCVRRESA-N 2 0 261.413 2.609 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1F ZINC000422857258 527180158 /nfs/dbraw/zinc/18/01/58/527180158.db2.gz YDSXANVWQOEAGV-DOMZBBRYSA-N 2 0 264.388 2.820 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000062712474 527181658 /nfs/dbraw/zinc/18/16/58/527181658.db2.gz HABMCKKKTIJSLW-LBPRGKRZSA-N 2 0 299.212 2.601 20 0 CFADRP Cc1[nH+]ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Cl ZINC000310565259 527351326 /nfs/dbraw/zinc/35/13/26/527351326.db2.gz XHDPIDWHHMGARZ-GXSJLCMTSA-N 2 0 253.777 2.938 20 0 CFADRP Cn1cccc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000360095048 527396742 /nfs/dbraw/zinc/39/67/42/527396742.db2.gz DJIGPFXQGSQBSW-XJKSGUPXSA-N 2 0 289.448 2.869 20 0 CFADRP Cn1cccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917874 527397680 /nfs/dbraw/zinc/39/76/80/527397680.db2.gz XVZRJZAXDIAWKD-KRWDZBQOSA-N 2 0 283.419 2.637 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000334866982 527401592 /nfs/dbraw/zinc/40/15/92/527401592.db2.gz XUVYEFUEJXRKSJ-IRXDYDNUSA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+][C@H]1C[C@H](NCCC[NH+]2CCCCC2)c2ccccc21 ZINC000157270338 527418736 /nfs/dbraw/zinc/41/87/36/527418736.db2.gz FCISKPGFKNUKLP-IRXDYDNUSA-N 2 0 273.424 2.597 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCCC34CC[NH+](C)CC4)ccc21 ZINC000334912000 527501867 /nfs/dbraw/zinc/50/18/67/527501867.db2.gz LFNCRIQCKZGTSF-UHFFFAOYSA-N 2 0 298.434 2.634 20 0 CFADRP Nc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000334971428 527516797 /nfs/dbraw/zinc/51/67/97/527516797.db2.gz WGSSNLHCHZIEHO-CRAIPNDOSA-N 2 0 285.435 2.718 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000334786457 527680888 /nfs/dbraw/zinc/68/08/88/527680888.db2.gz SIFVWGDIYCHPJX-UHFFFAOYSA-N 2 0 299.340 2.676 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422841091 527724972 /nfs/dbraw/zinc/72/49/72/527724972.db2.gz VEJCPHKZYMZHBZ-JWTNVVGKSA-N 3 0 293.499 2.617 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2scnc2C)[C@H](C)C1 ZINC000175728350 527830611 /nfs/dbraw/zinc/83/06/11/527830611.db2.gz SXLOZUYTUZQDPN-OCCSQVGLSA-N 2 0 281.469 2.656 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)C12CCCCC2 ZINC000423276728 527835907 /nfs/dbraw/zinc/83/59/07/527835907.db2.gz OXIBXDMOTVRIOF-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000417910807 527846446 /nfs/dbraw/zinc/84/64/46/527846446.db2.gz KKOWPALIFXNOAM-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@H]1c1ccccc1 ZINC000423322640 527869853 /nfs/dbraw/zinc/86/98/53/527869853.db2.gz OAWIPXJRIMVBMU-ARFHVFGLSA-N 2 0 258.409 2.896 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1(CC)CC ZINC000422833433 527953149 /nfs/dbraw/zinc/95/31/49/527953149.db2.gz GWCTYONSEQZXFV-CBBWQLFWSA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC[NH2+]CC1 ZINC000414896005 527982216 /nfs/dbraw/zinc/98/22/16/527982216.db2.gz ALFFKGBNDAOAQD-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423141519 527990740 /nfs/dbraw/zinc/99/07/40/527990740.db2.gz QMWDFVMUHHSRLN-NUJGCVRESA-N 2 0 291.483 2.655 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415126967 528032145 /nfs/dbraw/zinc/03/21/45/528032145.db2.gz QOJFRUBMVNORMR-IMJJTQAJSA-N 2 0 268.445 2.641 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702619 528058842 /nfs/dbraw/zinc/05/88/42/528058842.db2.gz FLCDOQDVZGVRAV-HOTGVXAUSA-N 2 0 269.477 2.619 20 0 CFADRP CC1(c2ccccc2)CCC([NH2+]CC2C[NH2+]C2)CC1 ZINC000423304856 528064135 /nfs/dbraw/zinc/06/41/35/528064135.db2.gz PHAZBCIHRBMXQF-UHFFFAOYSA-N 2 0 258.409 2.696 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422764078 528131063 /nfs/dbraw/zinc/13/10/63/528131063.db2.gz JTSNYSXGXVPVOY-GZNJTBKBSA-N 2 0 280.456 2.699 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422764071 528132267 /nfs/dbraw/zinc/13/22/67/528132267.db2.gz JTSNYSXGXVPVOY-BLNMRFBMSA-N 2 0 280.456 2.699 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422764077 528140659 /nfs/dbraw/zinc/14/06/59/528140659.db2.gz JTSNYSXGXVPVOY-FVPDABNVSA-N 2 0 280.456 2.699 20 0 CFADRP CC(C)COc1ccc(C[NH2+]CCCC[NH3+])cc1 ZINC000414901022 528154291 /nfs/dbraw/zinc/15/42/91/528154291.db2.gz HWYBDGQMISBJHP-UHFFFAOYSA-N 2 0 250.386 2.550 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414714917 528171658 /nfs/dbraw/zinc/17/16/58/528171658.db2.gz QPJTWCPUYSSKLZ-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000422840409 528172780 /nfs/dbraw/zinc/17/27/80/528172780.db2.gz SUJQNTQQKOWGBH-IXDOHACOSA-N 3 0 283.504 2.994 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414341543 528202838 /nfs/dbraw/zinc/20/28/38/528202838.db2.gz VZAUZUGZZYHYER-UHFFFAOYSA-N 2 0 275.440 2.823 20 0 CFADRP CC(C)c1csc(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000422892321 528236711 /nfs/dbraw/zinc/23/67/11/528236711.db2.gz MSOSFWKYQWTHGQ-NSHDSACASA-N 2 0 255.431 2.874 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422727432 528246169 /nfs/dbraw/zinc/24/61/69/528246169.db2.gz CIYJLWVSXYJQCG-NJAFHUGGSA-N 2 0 289.467 2.800 20 0 CFADRP CCOc1cc(CCC[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000422768657 528258188 /nfs/dbraw/zinc/25/81/88/528258188.db2.gz ZLTCPRZEHHVPPC-KBPBESRZSA-N 2 0 294.439 2.742 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000422900856 528273144 /nfs/dbraw/zinc/27/31/44/528273144.db2.gz KCNMJYQHXRSFOQ-WCQYABFASA-N 2 0 267.442 2.526 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967687 528280589 /nfs/dbraw/zinc/28/05/89/528280589.db2.gz CGBVAXFSIRDUQB-HRCADAONSA-N 2 0 293.455 2.783 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)CC(C)C ZINC000422825138 528281909 /nfs/dbraw/zinc/28/19/09/528281909.db2.gz JBTJOBDIVHQNMG-IKGGRYGDSA-N 2 0 283.504 2.721 20 0 CFADRP CC[NH2+]CCNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414831414 528329812 /nfs/dbraw/zinc/32/98/12/528329812.db2.gz PGFZUZNUIWEIHQ-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414683322 528338284 /nfs/dbraw/zinc/33/82/84/528338284.db2.gz ZYRBXKDLXKMNJZ-WMZOPIPTSA-N 3 0 295.515 2.818 20 0 CFADRP CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414900431 528455563 /nfs/dbraw/zinc/45/55/63/528455563.db2.gz HIEQLBOHMLHFJS-UHFFFAOYSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCCCC1 ZINC000422968951 528464671 /nfs/dbraw/zinc/46/46/71/528464671.db2.gz YEWMFHIXRUTDMG-IAGOWNOFSA-N 2 0 283.504 2.994 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCC(C)CC1 ZINC000422852931 528464686 /nfs/dbraw/zinc/46/46/86/528464686.db2.gz YHSNUNNVOGEAGL-IAGOWNOFSA-N 2 0 283.504 2.850 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422903665 528466019 /nfs/dbraw/zinc/46/60/19/528466019.db2.gz OTWHWNAANNHOJJ-BBRMVZONSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000422843322 528467307 /nfs/dbraw/zinc/46/73/07/528467307.db2.gz HVVZEUUVBYAXRG-OKZBNKHCSA-N 2 0 295.515 2.721 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422740083 528467855 /nfs/dbraw/zinc/46/78/55/528467855.db2.gz MGADOYZZJIHRFZ-OFLPRAFFSA-N 2 0 281.488 2.748 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)C[NH3+] ZINC000423299694 528491775 /nfs/dbraw/zinc/49/17/75/528491775.db2.gz QLEPWLKCTKGOCY-IUODEOHRSA-N 2 0 252.377 2.577 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1C ZINC000422874509 528515617 /nfs/dbraw/zinc/51/56/17/528515617.db2.gz DAZNAQVKZLABKQ-JKSUJKDBSA-N 2 0 275.440 2.538 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414856378 528519423 /nfs/dbraw/zinc/51/94/23/528519423.db2.gz YTWWHHPQNTWYNK-CGTJXYLNSA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)C[C@H]([NH3+])CNC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414827995 528554194 /nfs/dbraw/zinc/55/41/94/528554194.db2.gz IDUDASQVBUAIDZ-IRXDYDNUSA-N 2 0 277.456 2.773 20 0 CFADRP CC[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414696566 528591661 /nfs/dbraw/zinc/59/16/61/528591661.db2.gz GMWBSPSRJLZUSV-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422765190 528596264 /nfs/dbraw/zinc/59/62/64/528596264.db2.gz KPYNHAOFZWXYAH-SUMWQHHRSA-N 2 0 292.423 2.872 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422697970 528598459 /nfs/dbraw/zinc/59/84/59/528598459.db2.gz WZQACTKIRPIDCY-RHSMWYFYSA-N 2 0 276.424 2.830 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)C(C)(C)C)CC[NH2+]CC1 ZINC000422858671 528609705 /nfs/dbraw/zinc/60/97/05/528609705.db2.gz IROJEBCUOHQXJL-KGLIPLIRSA-N 2 0 298.471 2.722 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000422947293 528635844 /nfs/dbraw/zinc/63/58/44/528635844.db2.gz YCZRUUPYJNHQEN-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000422817555 528641607 /nfs/dbraw/zinc/64/16/07/528641607.db2.gz HUDRHDJIKNDTEM-YHUYYLMFSA-N 2 0 282.472 2.948 20 0 CFADRP CCCc1csc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000414830191 528667915 /nfs/dbraw/zinc/66/79/15/528667915.db2.gz BXYPHMKQDVYYKR-LBPRGKRZSA-N 2 0 267.442 2.575 20 0 CFADRP CC(C)Cc1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414763106 528668885 /nfs/dbraw/zinc/66/88/85/528668885.db2.gz BKKOANIKUFAXOH-OKILXGFUSA-N 2 0 293.480 2.773 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1C ZINC000423349389 528708893 /nfs/dbraw/zinc/70/88/93/528708893.db2.gz WLOPELCUQJIWRZ-BPUTZDHNSA-N 2 0 250.430 2.957 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422776051 528721181 /nfs/dbraw/zinc/72/11/81/528721181.db2.gz CADOJUVTYKVLDI-CYBMUJFWSA-N 2 0 262.397 2.878 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422741024 528732815 /nfs/dbraw/zinc/73/28/15/528732815.db2.gz OVODUWPEUIPBKI-DZGCQCFKSA-N 2 0 262.397 2.692 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000423137343 528734421 /nfs/dbraw/zinc/73/44/21/528734421.db2.gz WDGLFKJRIUNHQJ-QWHCGFSZSA-N 2 0 265.401 2.543 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000423137342 528735569 /nfs/dbraw/zinc/73/55/69/528735569.db2.gz WDGLFKJRIUNHQJ-OLZOCXBDSA-N 2 0 265.401 2.543 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000414800997 528757588 /nfs/dbraw/zinc/75/75/88/528757588.db2.gz SSTLOKGHMAKFTI-GOEBONIOSA-N 2 0 262.397 2.692 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414800999 528759070 /nfs/dbraw/zinc/75/90/70/528759070.db2.gz SSTLOKGHMAKFTI-ZBFHGGJFSA-N 2 0 262.397 2.692 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423157543 528779623 /nfs/dbraw/zinc/77/96/23/528779623.db2.gz VOTXQPMFWDHKOO-ICUGJSFKSA-N 2 0 294.483 2.948 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414714960 528793724 /nfs/dbraw/zinc/79/37/24/528793724.db2.gz WVUCSWCCVHKIGO-GDBMZVCRSA-N 2 0 276.424 2.905 20 0 CFADRP CCC(CC)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814885 528822828 /nfs/dbraw/zinc/82/28/28/528822828.db2.gz AKABWNIUGKSYGR-BHYGNILZSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422868112 528837229 /nfs/dbraw/zinc/83/72/29/528837229.db2.gz ULLIZBOEBWCAHB-QAPCUYQASA-N 3 0 289.467 2.744 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422819302 528856861 /nfs/dbraw/zinc/85/68/61/528856861.db2.gz MPOJGOBAOMXEJG-IKGGRYGDSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)[NH+](CCNC(=O)c1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000423304553 528905686 /nfs/dbraw/zinc/90/56/86/528905686.db2.gz YYSUHDWGWIAPFO-AWEZNQCLSA-N 2 0 291.439 2.555 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000423286950 528950249 /nfs/dbraw/zinc/95/02/49/528950249.db2.gz JOJXEYHRRFKSAT-ZFWWWQNUSA-N 2 0 264.413 2.870 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423287592 528953524 /nfs/dbraw/zinc/95/35/24/528953524.db2.gz NFXQRYGHJUNAKB-OLZOCXBDSA-N 2 0 256.434 2.686 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414805572 528955548 /nfs/dbraw/zinc/95/55/48/528955548.db2.gz GPINHEICHPWMSC-AWEZNQCLSA-N 2 0 266.816 2.914 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000414188824 528986571 /nfs/dbraw/zinc/98/65/71/528986571.db2.gz JHKFGVMNZDFIKK-ZBFHGGJFSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423329416 529031803 /nfs/dbraw/zinc/03/18/03/529031803.db2.gz STTUKXIJXCICHW-CVEARBPZSA-N 2 0 264.388 2.720 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+]CCCCCOc1ccccc1 ZINC000414800267 529067292 /nfs/dbraw/zinc/06/72/92/529067292.db2.gz SAMNDGKRUCMDRA-MRXNPFEDSA-N 2 0 264.413 2.809 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423267015 529069985 /nfs/dbraw/zinc/06/99/85/529069985.db2.gz FCAPYTOTZFQYNJ-IAQYHMDHSA-N 2 0 270.367 2.859 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177213325 529143441 /nfs/dbraw/zinc/14/34/41/529143441.db2.gz PLRJECOXFKHISX-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423245713 529167735 /nfs/dbraw/zinc/16/77/35/529167735.db2.gz JGCZWDVETGBQLZ-DZGCQCFKSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423279399 529178197 /nfs/dbraw/zinc/17/81/97/529178197.db2.gz SJMREMFQIDFMGU-IUODEOHRSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423211696 529179342 /nfs/dbraw/zinc/17/93/42/529179342.db2.gz LERKGSXSGQOSES-DZGCQCFKSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000422860568 529204940 /nfs/dbraw/zinc/20/49/40/529204940.db2.gz LPCWMEIBGYTXNR-QMTHXVAHSA-N 2 0 252.789 2.989 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]([NH3+])CC(C)C)C1 ZINC000414715570 529221759 /nfs/dbraw/zinc/22/17/59/529221759.db2.gz YUJZMKFOHUIIBW-MELADBBJSA-N 2 0 258.475 2.966 20 0 CFADRP CCSc1cccc(C[NH2+][C@H](CCC[NH3+])COC)c1 ZINC000423127123 529253418 /nfs/dbraw/zinc/25/34/18/529253418.db2.gz JHVVFNYKMBCUNJ-CQSZACIVSA-N 2 0 282.453 2.642 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422900275 529297877 /nfs/dbraw/zinc/29/78/77/529297877.db2.gz AHQHEOFDZBNRAT-IXDOHACOSA-N 2 0 295.515 2.994 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000268442642 535165080 /nfs/dbraw/zinc/16/50/80/535165080.db2.gz SGJPSGDVKYYLIM-UHFFFAOYSA-N 2 0 296.842 2.665 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000445572015 535268874 /nfs/dbraw/zinc/26/88/74/535268874.db2.gz BQJKNDLZQQDBND-QGZVFWFLSA-N 2 0 295.515 2.771 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459781838 535358854 /nfs/dbraw/zinc/35/88/54/535358854.db2.gz MQOBNSSDQQZRQS-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449079609 535483656 /nfs/dbraw/zinc/48/36/56/535483656.db2.gz PFWVYDBTZLZIOS-DZGCQCFKSA-N 2 0 289.423 2.642 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)cc2)CC1 ZINC000449753093 535674717 /nfs/dbraw/zinc/67/47/17/535674717.db2.gz NPYLYLDNOZBELZ-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447533528 535741005 /nfs/dbraw/zinc/74/10/05/535741005.db2.gz YAOKQMQWQVZMIH-UKRRQHHQSA-N 2 0 293.455 2.573 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(C)ccc1OC ZINC000447601663 535804116 /nfs/dbraw/zinc/80/41/16/535804116.db2.gz QRZSEHGPMQFCHE-MRXNPFEDSA-N 2 0 294.439 2.623 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000459747018 536384767 /nfs/dbraw/zinc/38/47/67/536384767.db2.gz ZNESKZYFVKMLNO-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000540155646 545520241 /nfs/dbraw/zinc/52/02/41/545520241.db2.gz AHDYMZJLHZCACS-JJRVBVJISA-N 2 0 276.424 2.822 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2nc3ccccc3s2)CC[N@@H+]1C ZINC000675732707 545527894 /nfs/dbraw/zinc/52/78/94/545527894.db2.gz DVTHPCPXYWUOJN-STQMWFEESA-N 2 0 289.448 2.911 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000261531582 545566879 /nfs/dbraw/zinc/56/68/79/545566879.db2.gz HECOHBSSLYIOAH-GZMMTYOYSA-N 2 0 289.242 2.598 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666855270 545558783 /nfs/dbraw/zinc/55/87/83/545558783.db2.gz ICPKQZKXJCWLGT-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP C[C@H]([NH2+]CCN(C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000157460178 545583609 /nfs/dbraw/zinc/58/36/09/545583609.db2.gz IUMORNNULGTWFM-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000163809692 545588633 /nfs/dbraw/zinc/58/86/33/545588633.db2.gz AGYWUMALJQPHSM-BBRMVZONSA-N 2 0 261.413 2.853 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCCO)C[C@H]1C ZINC000744404139 574072933 /nfs/dbraw/zinc/07/29/33/574072933.db2.gz IEWXEDRJJKVPDW-CVEARBPZSA-N 2 0 270.461 2.734 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000729266721 574194742 /nfs/dbraw/zinc/19/47/42/574194742.db2.gz CCPFNJXMIOBOBH-INIZCTEOSA-N 2 0 276.424 2.647 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000729682753 574227774 /nfs/dbraw/zinc/22/77/74/574227774.db2.gz HDCLHMIOUHVYFK-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1OC ZINC000729682390 574227897 /nfs/dbraw/zinc/22/78/97/574227897.db2.gz PTZSXSWOVKDMFC-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000090457511 574291783 /nfs/dbraw/zinc/29/17/83/574291783.db2.gz PMPKNYHAHFACBE-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+][C@@H]1COCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396439889 574292455 /nfs/dbraw/zinc/29/24/55/574292455.db2.gz KPKFCPCCLXNUOK-CXAGYDPISA-N 2 0 274.408 2.578 20 0 CFADRP CN(Cc1ccc(-n2ccnc2)nc1)Cc1cccc(O)c1 ZINC000750045254 574322260 /nfs/dbraw/zinc/32/22/60/574322260.db2.gz HZKRYDFZQVZMSJ-UHFFFAOYSA-N 2 0 294.358 2.605 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000742374780 574325472 /nfs/dbraw/zinc/32/54/72/574325472.db2.gz GVCAOSRVHJEZSK-GDBMZVCRSA-N 2 0 276.424 2.884 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCCC2CCCCC2)CC1 ZINC000395271630 574349497 /nfs/dbraw/zinc/34/94/97/574349497.db2.gz SKHNPUSHCCNXIT-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396452551 574355306 /nfs/dbraw/zinc/35/53/06/574355306.db2.gz HSHAQBAKCGBOFA-KBXCAEBGSA-N 2 0 288.435 2.620 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396464558 574355326 /nfs/dbraw/zinc/35/53/26/574355326.db2.gz RWGFFBXXJRQPMB-GFCCVEGCSA-N 2 0 280.387 2.654 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000743249070 574355689 /nfs/dbraw/zinc/35/56/89/574355689.db2.gz FQAMDOOWHPTKOD-INIZCTEOSA-N 2 0 290.451 2.927 20 0 CFADRP Cc1noc(C)c1[C@H](C)NCc1ccc(-n2ccnc2)nc1 ZINC000753371574 574401782 /nfs/dbraw/zinc/40/17/82/574401782.db2.gz MPPCVGLHJWLNQO-NSHDSACASA-N 2 0 297.362 2.723 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000306099113 617798438 /nfs/dbraw/zinc/79/84/38/617798438.db2.gz OFYVGBRSCACLDA-JTQLQIEISA-N 2 0 254.349 2.612 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000891480817 617630886 /nfs/dbraw/zinc/63/08/86/617630886.db2.gz VNGUYVWEKGQQCK-GFCCVEGCSA-N 2 0 264.335 2.603 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000261952280 617650999 /nfs/dbraw/zinc/65/09/99/617650999.db2.gz NHGJDOLXOCAJMW-UHFFFAOYSA-N 2 0 298.434 2.849 20 0 CFADRP COC1CCC(C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000891562524 617669455 /nfs/dbraw/zinc/66/94/55/617669455.db2.gz UYZIWJIVZPXPSI-UHFFFAOYSA-N 2 0 282.472 2.996 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000891611759 617685527 /nfs/dbraw/zinc/68/55/27/617685527.db2.gz VPFITUKDCRPMNG-UHFFFAOYSA-N 2 0 292.423 2.986 20 0 CFADRP C[C@@H]1Cc2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2O1 ZINC000891670492 617702505 /nfs/dbraw/zinc/70/25/05/617702505.db2.gz JVYJIIINKHVNTO-GDBMZVCRSA-N 2 0 288.435 2.784 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000097850765 617711819 /nfs/dbraw/zinc/71/18/19/617711819.db2.gz IQNBENVRSNXQMT-GXTWGEPZSA-N 2 0 250.361 2.551 20 0 CFADRP CC(C)[N@@H+](Cc1ccccn1)CC1CC[NH+](C)CC1 ZINC000891744610 617736285 /nfs/dbraw/zinc/73/62/85/617736285.db2.gz WKNWLNYHAHTVDN-UHFFFAOYSA-N 2 0 261.413 2.634 20 0 CFADRP COc1ccc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000891781978 617749804 /nfs/dbraw/zinc/74/98/04/617749804.db2.gz OLOUTIKJGVNBKP-ZDUSSCGKSA-N 2 0 297.402 2.562 20 0 CFADRP C[NH+](C)[C@H](CNc1nccn2cncc12)c1ccc(F)cc1 ZINC000891904817 617817447 /nfs/dbraw/zinc/81/74/47/617817447.db2.gz LGLPLFHKLRBFJJ-CQSZACIVSA-N 2 0 299.353 2.583 20 0 CFADRP C([NH2+][C@@H](C1CC1)C1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000926307718 617858847 /nfs/dbraw/zinc/85/88/47/617858847.db2.gz LGMPJMFNTJQVGH-SFHVURJKSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCc3sccc3C2)CC1 ZINC000892004098 617909271 /nfs/dbraw/zinc/90/92/71/617909271.db2.gz HBRSIVNJSIDPAF-UHFFFAOYSA-N 2 0 264.438 2.838 20 0 CFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(OC)CC1 ZINC000892216571 618006143 /nfs/dbraw/zinc/00/61/43/618006143.db2.gz NWNNPVUPDWNPRR-GMRIPVOYSA-N 2 0 280.456 2.750 20 0 CFADRP CCC[NH+](CCC)CCCNC(=[NH2+])NC1CCCC1 ZINC000848996166 618058892 /nfs/dbraw/zinc/05/88/92/618058892.db2.gz KWAMZNMXMOGAHE-UHFFFAOYSA-N 2 0 268.449 2.555 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCOc1cccc(F)c1 ZINC000846218939 618097748 /nfs/dbraw/zinc/09/77/48/618097748.db2.gz ZVBNXBPWIDLXEI-UHFFFAOYSA-N 2 0 268.376 2.655 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000050269038 618105465 /nfs/dbraw/zinc/10/54/65/618105465.db2.gz RBHRTFYDTJLMMB-HNNXBMFYSA-N 2 0 252.402 2.533 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000261574804 618107206 /nfs/dbraw/zinc/10/72/06/618107206.db2.gz XZMKLRJVXWLWCO-HIFRSBDPSA-N 2 0 262.397 2.515 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccsc2)CC1 ZINC000178679714 618108308 /nfs/dbraw/zinc/10/83/08/618108308.db2.gz ATJVRPNQYJDQDP-MRXNPFEDSA-N 2 0 296.480 2.808 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000261633050 618120327 /nfs/dbraw/zinc/12/03/27/618120327.db2.gz BMXVLDCWONORAU-HZPDHXFCSA-N 2 0 274.408 2.928 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C2CCOCC2)C1 ZINC000933078464 618149781 /nfs/dbraw/zinc/14/97/81/618149781.db2.gz MOTPVHSGQVLJTI-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000093490760 618200689 /nfs/dbraw/zinc/20/06/89/618200689.db2.gz QEJFLOPCFCTTLO-ZJPYXAASSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091844708 618202546 /nfs/dbraw/zinc/20/25/46/618202546.db2.gz MZANUEIPEHMMQK-UHFFFAOYSA-N 2 0 250.361 2.836 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926560590 618209485 /nfs/dbraw/zinc/20/94/85/618209485.db2.gz SJPWJYFWWBQMIE-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000926571712 618216589 /nfs/dbraw/zinc/21/65/89/618216589.db2.gz ASEKRMFIACUUDC-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000926575128 618217311 /nfs/dbraw/zinc/21/73/11/618217311.db2.gz XSGYVSGBKRKXFS-RHSMWYFYSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925105126 618260075 /nfs/dbraw/zinc/26/00/75/618260075.db2.gz YYQJAXWPOAWTEY-VUCTXSBTSA-N 2 0 291.439 2.829 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@@H]1CCCCO1 ZINC000925578883 618262840 /nfs/dbraw/zinc/26/28/40/618262840.db2.gz BSELRCFOCITGAV-UGUYLWEFSA-N 2 0 294.483 2.948 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924530043 618273554 /nfs/dbraw/zinc/27/35/54/618273554.db2.gz YWECLHSMVOZVOD-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000262115799 618281283 /nfs/dbraw/zinc/28/12/83/618281283.db2.gz WXHCBQFIUOFASU-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP COc1ccccc1C1([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000895098853 618289566 /nfs/dbraw/zinc/28/95/66/618289566.db2.gz CGWLRGHIPZXTEO-UHFFFAOYSA-N 2 0 274.408 2.616 20 0 CFADRP CC[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)N1CCCC1 ZINC000925605714 618294485 /nfs/dbraw/zinc/29/44/85/618294485.db2.gz HZJHCGAYKCSKRK-MSOLQXFVSA-N 2 0 289.467 2.931 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCOc2ccccc2F)CC1 ZINC000892469826 618313471 /nfs/dbraw/zinc/31/34/71/618313471.db2.gz GPTLWFUKKXDTIJ-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP OCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515810 618315362 /nfs/dbraw/zinc/31/53/62/618315362.db2.gz XBDVCXLYBMUSOF-WMZOPIPTSA-N 2 0 294.483 2.878 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925615180 618318375 /nfs/dbraw/zinc/31/83/75/618318375.db2.gz NCBOSIDUOQMNQI-JDEYZFBPSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925615144 618318812 /nfs/dbraw/zinc/31/88/12/618318812.db2.gz MBKKEZWKLBAFSE-INIZCTEOSA-N 2 0 278.440 2.855 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925615181 618318875 /nfs/dbraw/zinc/31/88/75/618318875.db2.gz NCBOSIDUOQMNQI-QLOLRVAOSA-N 2 0 294.483 2.828 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccccc1 ZINC000925622924 618339381 /nfs/dbraw/zinc/33/93/81/618339381.db2.gz QQKOSPGPXGDIFY-OAHLLOKOSA-N 2 0 273.355 2.791 20 0 CFADRP C[C@@H]1CCCN1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925622015 618339500 /nfs/dbraw/zinc/33/95/00/618339500.db2.gz IEBYSIZDGHTWBK-NVXWUHKLSA-N 3 0 275.440 2.541 20 0 CFADRP CC[NH+](CC)CCC[NH2+]CC1CCC(OC)CC1 ZINC000893322998 618343960 /nfs/dbraw/zinc/34/39/60/618343960.db2.gz ZUPMWMLYIHCTIR-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925624102 618345377 /nfs/dbraw/zinc/34/53/77/618345377.db2.gz VAFGAQVSJOJMKI-JKSUJKDBSA-N 2 0 283.504 2.991 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000894120304 618352622 /nfs/dbraw/zinc/35/26/22/618352622.db2.gz UUIDOJDKRYBHAI-ZWKOTPCHSA-N 2 0 290.451 2.676 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925628193 618354174 /nfs/dbraw/zinc/35/41/74/618354174.db2.gz HFCFZQMMQOHSBV-KKUMJFAQSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(F)cc1Cl ZINC000262151826 618374550 /nfs/dbraw/zinc/37/45/50/618374550.db2.gz RLCSBLGVWATFMA-AWEZNQCLSA-N 2 0 288.794 2.821 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccccc1 ZINC000925640207 618375717 /nfs/dbraw/zinc/37/57/17/618375717.db2.gz GUUBDXPHFFZMPE-JKSUJKDBSA-N 2 0 288.391 2.773 20 0 CFADRP CSCCCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925643914 618384753 /nfs/dbraw/zinc/38/47/53/618384753.db2.gz LYSVVFTWRZMDBN-ZDUSSCGKSA-N 2 0 256.459 2.784 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925645723 618388197 /nfs/dbraw/zinc/38/81/97/618388197.db2.gz RVRITUUHVMHQHX-JKSUJKDBSA-N 2 0 290.451 2.910 20 0 CFADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894142724 618391503 /nfs/dbraw/zinc/39/15/03/618391503.db2.gz QCOMKFIZRWTJPC-CMPLNLGQSA-N 2 0 264.335 2.601 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000894144102 618394020 /nfs/dbraw/zinc/39/40/20/618394020.db2.gz MTMHCVADQDDRGS-ROUUACIJSA-N 2 0 290.451 2.820 20 0 CFADRP C[NH+](C)CCC[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894145611 618395444 /nfs/dbraw/zinc/39/54/44/618395444.db2.gz FRGAIQXHNCFUEI-UHFFFAOYSA-N 2 0 264.394 2.648 20 0 CFADRP c1ccc(N2CCC[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925655818 618411636 /nfs/dbraw/zinc/41/16/36/618411636.db2.gz WPJSHBBTOYGLKG-FUHWJXTLSA-N 2 0 299.462 2.777 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237055045 618413487 /nfs/dbraw/zinc/41/34/87/618413487.db2.gz XFEBJLIZKRQHIC-INIZCTEOSA-N 2 0 297.402 2.825 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc2[nH]ccc21 ZINC000925659589 618421470 /nfs/dbraw/zinc/42/14/70/618421470.db2.gz DYBDXXPKMGBMPO-FLOBVVSRSA-N 2 0 283.419 2.816 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925661379 618422739 /nfs/dbraw/zinc/42/27/39/618422739.db2.gz CTDOBYKLYCAZOS-JKSUJKDBSA-N 2 0 280.456 2.561 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCC(F)(F)CC1 ZINC000925662034 618425019 /nfs/dbraw/zinc/42/50/19/618425019.db2.gz YRYVFJIZOACTJF-VTXSZYRJSA-N 2 0 272.383 2.917 20 0 CFADRP Cc1ncoc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000894180810 618430611 /nfs/dbraw/zinc/43/06/11/618430611.db2.gz MIDQSRBNAVXQFR-KBPBESRZSA-N 2 0 279.428 2.831 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925670388 618437884 /nfs/dbraw/zinc/43/78/84/618437884.db2.gz JLHVYYBRLMSCPJ-XIRDDKMYSA-N 2 0 275.440 2.539 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925670386 618437954 /nfs/dbraw/zinc/43/79/54/618437954.db2.gz JLHVYYBRLMSCPJ-HYVNUMGLSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)cc2)C12CCC2 ZINC000925672049 618442914 /nfs/dbraw/zinc/44/29/14/618442914.db2.gz GLSKYTQDBNCLFP-KFWWJZLASA-N 2 0 294.826 2.623 20 0 CFADRP FC1(F)CCCC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925672302 618444382 /nfs/dbraw/zinc/44/43/82/618444382.db2.gz HAZZTLBNLBWTJE-UQGHGMQMSA-N 2 0 284.394 2.788 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925674886 618445784 /nfs/dbraw/zinc/44/57/84/618445784.db2.gz DUVUJRRHBVWUNL-ZNMIVQPWSA-N 2 0 269.477 2.602 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925674885 618445873 /nfs/dbraw/zinc/44/58/73/618445873.db2.gz DUVUJRRHBVWUNL-SOUVJXGZSA-N 2 0 269.477 2.602 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C12CCC2 ZINC000925677459 618453521 /nfs/dbraw/zinc/45/35/21/618453521.db2.gz QICHQEHVSIZGIM-MIGQKNRLSA-N 2 0 274.383 2.931 20 0 CFADRP C[C@@]1([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C[C@H]1c1ccccc1 ZINC000925678566 618456310 /nfs/dbraw/zinc/45/63/10/618456310.db2.gz VUKIUBJMTWJBNA-XUWVNRHRSA-N 2 0 256.393 2.792 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925682555 618465607 /nfs/dbraw/zinc/46/56/07/618465607.db2.gz CLYKFRIGQBFWJO-SLBVQIDZSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925683609 618467952 /nfs/dbraw/zinc/46/79/52/618467952.db2.gz TXIJAIYKXLNLGG-PVAVHDDUSA-N 2 0 287.451 2.689 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925683532 618469328 /nfs/dbraw/zinc/46/93/28/618469328.db2.gz RRAXZWWTLGMYOG-SJLPKXTDSA-N 2 0 287.451 2.690 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000925685689 618479685 /nfs/dbraw/zinc/47/96/85/618479685.db2.gz MGYXEQOPZDBFIK-NIZVFGRYSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@H](CCNCc1ccc2c(c1)OCCCCO2)[NH+](C)C ZINC000895294324 618513140 /nfs/dbraw/zinc/51/31/40/618513140.db2.gz SWLFCOMOEOGHGI-CQSZACIVSA-N 2 0 292.423 2.668 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293266 618515759 /nfs/dbraw/zinc/51/57/59/618515759.db2.gz XKINIWVYUFBTAF-LXIYXOSZSA-N 2 0 278.377 2.639 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1ccoc1 ZINC000895378802 618557530 /nfs/dbraw/zinc/55/75/30/618557530.db2.gz SRQQXVJEMSERDZ-DZGCQCFKSA-N 2 0 250.386 2.832 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000895381995 618560477 /nfs/dbraw/zinc/56/04/77/618560477.db2.gz YSQMMDRBKRVAEP-OAGGEKHMSA-N 2 0 266.429 2.731 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+](C)C)C1(C)C ZINC000895429822 618577901 /nfs/dbraw/zinc/57/79/01/618577901.db2.gz VYTVGPQCXQCORP-MELADBBJSA-N 2 0 256.434 2.508 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000895434786 618580831 /nfs/dbraw/zinc/58/08/31/618580831.db2.gz VLSDGENTLJTOKZ-ZSHCYNCHSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CSC3)CC2)C1 ZINC000895421725 618582288 /nfs/dbraw/zinc/58/22/88/618582288.db2.gz VYDIBYPMYPTKBD-BBRMVZONSA-N 2 0 282.497 2.982 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc3C2)c2ccccc21 ZINC000262234101 618595732 /nfs/dbraw/zinc/59/57/32/618595732.db2.gz OGTDSODNKKDAQJ-KBRIMQKVSA-N 2 0 280.371 2.725 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926734790 618617777 /nfs/dbraw/zinc/61/77/77/618617777.db2.gz ARFNLANLSIXAFH-YNEHKIRRSA-N 2 0 258.356 2.638 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000924571295 618619325 /nfs/dbraw/zinc/61/93/25/618619325.db2.gz FGYRWMOIPHWHOA-HZPDHXFCSA-N 2 0 275.440 2.867 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738827 618620152 /nfs/dbraw/zinc/62/01/52/618620152.db2.gz MROXMTQSDBQTAJ-NVXWUHKLSA-N 2 0 287.451 2.724 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892578661 618641114 /nfs/dbraw/zinc/64/11/14/618641114.db2.gz GZHIGJQBRAWGKR-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCc2cccs2)CC1 ZINC000070189966 625280164 /nfs/dbraw/zinc/28/01/64/625280164.db2.gz SDARMKCRLDQSFJ-UHFFFAOYSA-N 2 0 252.427 2.612 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CCC[NH+]3CCC(C)CC3)C2)CO1 ZINC000924577626 618649560 /nfs/dbraw/zinc/64/95/60/618649560.db2.gz KZARIYYKLKCMJE-GTPINHCMSA-N 2 0 280.456 2.656 20 0 CFADRP CCCSC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892608816 618652317 /nfs/dbraw/zinc/65/23/17/618652317.db2.gz SPJUWYXCXGCZRO-BFHYXJOUSA-N 2 0 256.459 2.735 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000892662887 618682048 /nfs/dbraw/zinc/68/20/48/618682048.db2.gz OMBRVJTWAKXRRH-MGNMYUMUSA-N 2 0 288.435 2.977 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000892688188 618710787 /nfs/dbraw/zinc/71/07/87/618710787.db2.gz ZYLWVJZWYDEQFT-ZWKOTPCHSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)COC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccco1 ZINC000892782241 618745466 /nfs/dbraw/zinc/74/54/66/618745466.db2.gz MAEPJBPMFWWPMX-MRXNPFEDSA-N 2 0 294.439 2.925 20 0 CFADRP C[C@@H](NCCC(C)(C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309786370 618774368 /nfs/dbraw/zinc/77/43/68/618774368.db2.gz NBFZWBXFLXKIDZ-WBVHZDCISA-N 2 0 289.467 2.614 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000892942916 618776089 /nfs/dbraw/zinc/77/60/89/618776089.db2.gz BIWKKVCHTLEGOI-UHFFFAOYSA-N 2 0 278.444 2.512 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892955818 618782653 /nfs/dbraw/zinc/78/26/53/618782653.db2.gz MOGCVWVCNDOUNO-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)CC1 ZINC000893110381 618834819 /nfs/dbraw/zinc/83/48/19/618834819.db2.gz LDUPMLPNTWWJFC-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CSC[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925506736 618835545 /nfs/dbraw/zinc/83/55/45/618835545.db2.gz WXAUTGYOLDSZHL-TZMCWYRMSA-N 2 0 252.427 2.808 20 0 CFADRP C[NH+](C)C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925512581 618851146 /nfs/dbraw/zinc/85/11/46/618851146.db2.gz DDRLITFYUFDGEQ-IKGGRYGDSA-N 2 0 289.467 2.785 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cc1cccs1 ZINC000925514137 618852852 /nfs/dbraw/zinc/85/28/52/618852852.db2.gz DITKGJOIKJWPNY-OCCSQVGLSA-N 2 0 264.438 2.801 20 0 CFADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000925515988 618854331 /nfs/dbraw/zinc/85/43/31/618854331.db2.gz BGDVJTPZJCUFRR-QAPCUYQASA-N 2 0 287.451 2.513 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925515870 618854833 /nfs/dbraw/zinc/85/48/33/618854833.db2.gz JNIQOXKOYNJGGI-JKSUJKDBSA-N 3 0 281.488 2.604 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C12CCC2 ZINC000925518127 618856650 /nfs/dbraw/zinc/85/66/50/618856650.db2.gz DHVSEKZXUZTTGA-UONOGXRCSA-N 2 0 264.800 2.742 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccccc2Cl)C12CCC2 ZINC000925518125 618856831 /nfs/dbraw/zinc/85/68/31/618856831.db2.gz DHVSEKZXUZTTGA-KGLIPLIRSA-N 2 0 264.800 2.742 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)COCC1CC1 ZINC000925519735 618858000 /nfs/dbraw/zinc/85/80/00/618858000.db2.gz NLLUFJHNBRIFAQ-DLBZAZTESA-N 2 0 280.456 2.561 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COCC1CC1 ZINC000925519743 618858114 /nfs/dbraw/zinc/85/81/14/618858114.db2.gz NLLUFJHNBRIFAQ-SJORKVTESA-N 2 0 280.456 2.561 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)COCC1CC1 ZINC000925519740 618858236 /nfs/dbraw/zinc/85/82/36/618858236.db2.gz NLLUFJHNBRIFAQ-IRXDYDNUSA-N 2 0 280.456 2.561 20 0 CFADRP CCCCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925523791 618866076 /nfs/dbraw/zinc/86/60/76/618866076.db2.gz ZTQJYCGKURNHDS-HZPDHXFCSA-N 2 0 268.445 2.561 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+]CC1CC[NH+](C)CC1)OC ZINC000893191888 618874645 /nfs/dbraw/zinc/87/46/45/618874645.db2.gz PJDLPYOKWLGYBK-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000925527998 618876123 /nfs/dbraw/zinc/87/61/23/618876123.db2.gz CABZBXAMIZATRI-WMLDXEAASA-N 2 0 279.472 2.514 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925528106 618876858 /nfs/dbraw/zinc/87/68/58/618876858.db2.gz SNCJUFRAXNKLOF-ILXRZTDVSA-N 2 0 282.472 2.541 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC[C@@H]1O ZINC000925532218 618885039 /nfs/dbraw/zinc/88/50/39/618885039.db2.gz VHTFVJPUZPVUFT-ZJPYXAASSA-N 2 0 294.483 2.686 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cs1 ZINC000925534948 618887754 /nfs/dbraw/zinc/88/77/54/618887754.db2.gz ALBUQEUJSRPDNB-JKSUJKDBSA-N 2 0 293.480 2.752 20 0 CFADRP CC(C)C[C@H](CN[C@H](c1ccccc1)[C@@H](C)[NH3+])[NH+](C)C ZINC000925535094 618888335 /nfs/dbraw/zinc/88/83/35/618888335.db2.gz BRMJOHKAEWSKCN-OIISXLGYSA-N 2 0 277.456 2.641 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCN[C@@H]1C)c1cccnc1 ZINC000925537842 618892699 /nfs/dbraw/zinc/89/26/99/618892699.db2.gz OJHAJHMTHOGOBO-VNQPRFMTSA-N 2 0 261.413 2.551 20 0 CFADRP C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000925549316 618911488 /nfs/dbraw/zinc/91/14/88/618911488.db2.gz XTAVNILOBRULLM-CBZIJGRNSA-N 2 0 289.467 2.785 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925552553 618914604 /nfs/dbraw/zinc/91/46/04/618914604.db2.gz JNSSLNJFYVHDMQ-IRXDYDNUSA-N 3 0 293.499 2.763 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925554041 618918055 /nfs/dbraw/zinc/91/80/55/618918055.db2.gz VHWUQCXYDXDWKP-SJORKVTESA-N 3 0 293.499 2.905 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000925558843 618922826 /nfs/dbraw/zinc/92/28/26/618922826.db2.gz WIIIWEYNTUVKOD-ROUUACIJSA-N 2 0 287.451 2.541 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)N2CCCC2)C12CCC2 ZINC000308349876 618937200 /nfs/dbraw/zinc/93/72/00/618937200.db2.gz CHCDNPKIIWAXDX-BZUAXINKSA-N 2 0 280.456 2.654 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931313452 618940099 /nfs/dbraw/zinc/94/00/99/618940099.db2.gz BNLZOYCYQCZGTC-YESZJQIVSA-N 2 0 282.472 2.591 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925703386 618957240 /nfs/dbraw/zinc/95/72/40/618957240.db2.gz DNCJEXQBWHKAKU-LJISPDSOSA-N 2 0 294.508 2.886 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@@]1(F)Cl ZINC000925706296 618961044 /nfs/dbraw/zinc/96/10/44/618961044.db2.gz CCFBMJOQLDFJKN-MDZLAQPJSA-N 2 0 260.784 2.565 20 0 CFADRP Cc1ccncc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925710239 618964127 /nfs/dbraw/zinc/96/41/27/618964127.db2.gz WEBDXSIBNQMYQN-MSOLQXFVSA-N 2 0 287.451 2.690 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)O1 ZINC000925711691 618965350 /nfs/dbraw/zinc/96/53/50/618965350.db2.gz VDULYPFVRAWXLS-MXASKKJJSA-N 2 0 280.456 2.702 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000308402717 618967688 /nfs/dbraw/zinc/96/76/88/618967688.db2.gz YHGVCMCQEFNPFY-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925713982 618969032 /nfs/dbraw/zinc/96/90/32/618969032.db2.gz ZUUCUHBEZVOKGO-BRWVUGGUSA-N 3 0 289.467 2.962 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925714269 618970291 /nfs/dbraw/zinc/97/02/91/618970291.db2.gz OXBCXOWDLFQZKH-MGPQQGTHSA-N 2 0 261.413 2.681 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925716293 618973671 /nfs/dbraw/zinc/97/36/71/618973671.db2.gz CHVOILYGSDGKDP-MRXNPFEDSA-N 2 0 289.398 2.888 20 0 CFADRP c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000313288722 618979970 /nfs/dbraw/zinc/97/99/70/618979970.db2.gz FLLKXBFNXROQBI-IYBDPMFKSA-N 2 0 270.420 2.954 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C12CCC2 ZINC000925721462 618980408 /nfs/dbraw/zinc/98/04/08/618980408.db2.gz CIQVSXVLZMPLQG-QAETUUGQSA-N 2 0 286.419 2.624 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H]2CCCS2)C1 ZINC000925721905 618981525 /nfs/dbraw/zinc/98/15/25/618981525.db2.gz HYNJZARQJSDLCD-JHJVBQTASA-N 2 0 256.459 2.768 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925722032 618981822 /nfs/dbraw/zinc/98/18/22/618981822.db2.gz SKWRUOODMMSTDH-DGADGQDISA-N 2 0 280.456 2.545 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)OCC ZINC000925722754 618989649 /nfs/dbraw/zinc/98/96/49/618989649.db2.gz KVBMQBSRNMIQHH-MGPQQGTHSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC12CCC2 ZINC000893438191 618992673 /nfs/dbraw/zinc/99/26/73/618992673.db2.gz XAYUXHIALCNPMO-AWEZNQCLSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@@H+](CCc1cccs1)CC[C@H]1CCC[NH2+]C1 ZINC000093268362 619002651 /nfs/dbraw/zinc/00/26/51/619002651.db2.gz LLFYRKOQQZKUQB-CYBMUJFWSA-N 2 0 252.427 2.612 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451041 619024200 /nfs/dbraw/zinc/02/42/00/619024200.db2.gz PURDDQJDOACIOQ-KFWWJZLASA-N 2 0 264.438 2.801 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925731619 619037774 /nfs/dbraw/zinc/03/77/74/619037774.db2.gz MCUDRUROCBCUBS-KBXIAJHMSA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925734352 619043948 /nfs/dbraw/zinc/04/39/48/619043948.db2.gz NZWBXQZAZFCGPB-UMSGYPCISA-N 2 0 288.357 2.991 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000925734412 619043988 /nfs/dbraw/zinc/04/39/88/619043988.db2.gz PEYOVUIWANXZCG-QJPTWQEYSA-N 2 0 276.346 2.861 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000925737172 619046701 /nfs/dbraw/zinc/04/67/01/619046701.db2.gz GTEIONANJJKITD-MRXNPFEDSA-N 2 0 298.434 2.967 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000925738033 619048118 /nfs/dbraw/zinc/04/81/18/619048118.db2.gz MDCZWMCNFLAYAF-ZFWWWQNUSA-N 2 0 261.413 2.825 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738352 619048808 /nfs/dbraw/zinc/04/88/08/619048808.db2.gz QKSYZZZYULIGDO-UONOGXRCSA-N 2 0 284.444 2.606 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000925740375 619050008 /nfs/dbraw/zinc/05/00/08/619050008.db2.gz JQYORXPHUURFAQ-STQMWFEESA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000925740833 619050642 /nfs/dbraw/zinc/05/06/42/619050642.db2.gz LRSSMNPGQJHFGZ-CYBMUJFWSA-N 2 0 266.360 2.756 20 0 CFADRP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC(C)(C)C[NH3+] ZINC000093874157 619063235 /nfs/dbraw/zinc/06/32/35/619063235.db2.gz BNOMBZBJTBXCAD-UHFFFAOYSA-N 2 0 297.830 2.585 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000093873944 619063275 /nfs/dbraw/zinc/06/32/75/619063275.db2.gz NVQYAXIJSFYFFK-UHFFFAOYSA-N 2 0 270.804 2.636 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CCCOC1 ZINC000925766966 619077884 /nfs/dbraw/zinc/07/78/84/619077884.db2.gz DJNQSNWJKHQBTD-TUVASFSCSA-N 2 0 268.445 2.687 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000925767878 619078931 /nfs/dbraw/zinc/07/89/31/619078931.db2.gz QVNNHLFNWHTZNG-DLBZAZTESA-N 2 0 278.440 2.597 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000925776189 619097322 /nfs/dbraw/zinc/09/73/22/619097322.db2.gz JPWYLLDZLLMWCH-QWHCGFSZSA-N 2 0 272.383 2.934 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C12CCC2 ZINC000925778295 619100324 /nfs/dbraw/zinc/10/03/24/619100324.db2.gz JRAYIAMBDGRGEB-QLFBSQMISA-N 2 0 260.356 2.673 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925782375 619104610 /nfs/dbraw/zinc/10/46/10/619104610.db2.gz LMCMWWZHRBHPRG-AGIUHOORSA-N 2 0 260.372 2.790 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925782380 619104738 /nfs/dbraw/zinc/10/47/38/619104738.db2.gz LMCMWWZHRBHPRG-JHJVBQTASA-N 2 0 260.372 2.790 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094370864 619105994 /nfs/dbraw/zinc/10/59/94/619105994.db2.gz SKLSMTIBUZQULI-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925787213 619112253 /nfs/dbraw/zinc/11/22/53/619112253.db2.gz XOEZPDHQBHZDOY-IIYDPXPESA-N 2 0 288.435 2.863 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094370896 619115559 /nfs/dbraw/zinc/11/55/59/619115559.db2.gz ZWKOBRHWEIZJKO-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc2ccccc2o1 ZINC000925791711 619116923 /nfs/dbraw/zinc/11/69/23/619116923.db2.gz RLZVLHZCQBUJFY-BZPMIXESSA-N 2 0 258.365 2.939 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2nccn2C1)c1cccc(C[NH+](C)C)c1 ZINC000925811152 619129444 /nfs/dbraw/zinc/12/94/44/619129444.db2.gz CKJVTYZVJJKVSN-YOEHRIQHSA-N 2 0 298.434 2.610 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816128 619135193 /nfs/dbraw/zinc/13/51/93/619135193.db2.gz VQFVIPFEWIEDCT-WMLDXEAASA-N 2 0 287.451 2.556 20 0 CFADRP C[C@@H]([NH2+]CCc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000925829773 619160817 /nfs/dbraw/zinc/16/08/17/619160817.db2.gz BCDOKYFLHHKVCT-RHSMWYFYSA-N 2 0 283.419 2.755 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925833518 619164897 /nfs/dbraw/zinc/16/48/97/619164897.db2.gz SSGJMEQQIBTAEN-DFAYQTQMSA-N 2 0 287.329 2.698 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925833873 619164924 /nfs/dbraw/zinc/16/49/24/619164924.db2.gz LDJZZBZOHWCYHT-IJLUTSLNSA-N 2 0 282.350 2.594 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925835586 619167322 /nfs/dbraw/zinc/16/73/22/619167322.db2.gz UDJJMGQUTMDOLK-ZDEQEGDKSA-N 2 0 294.361 2.594 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000261540633 619169905 /nfs/dbraw/zinc/16/99/05/619169905.db2.gz AICPAYCDEOAISM-TZMCWYRMSA-N 2 0 297.240 2.709 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000261560929 619170880 /nfs/dbraw/zinc/17/08/80/619170880.db2.gz AJGIYFVUZHOZCU-VIFPVBQESA-N 2 0 258.818 2.961 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000261571500 619171341 /nfs/dbraw/zinc/17/13/41/619171341.db2.gz LCXGLRXCZBKQAB-MGPQQGTHSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261585855 619173370 /nfs/dbraw/zinc/17/33/70/619173370.db2.gz TZHUVYCQBQRUMS-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000261589491 619173722 /nfs/dbraw/zinc/17/37/22/619173722.db2.gz KVQSOJVDEFMWMT-XEZPLFJOSA-N 2 0 262.397 2.734 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000925841059 619174489 /nfs/dbraw/zinc/17/44/89/619174489.db2.gz YSATZTSFMDNLFV-LSDHHAIUSA-N 2 0 287.407 2.786 20 0 CFADRP CCCCCC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000094987673 619176264 /nfs/dbraw/zinc/17/62/64/619176264.db2.gz OMWBTCBJUZKXHG-OAHLLOKOSA-N 2 0 270.461 2.639 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845627 619177563 /nfs/dbraw/zinc/17/75/63/619177563.db2.gz MQKFAEWULUFRKN-IJLUTSLNSA-N 2 0 264.335 2.839 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1(C)C ZINC000261648751 619185669 /nfs/dbraw/zinc/18/56/69/619185669.db2.gz QTESDYVUPDILLW-DGXTUMSLSA-N 2 0 280.456 2.700 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925856377 619185746 /nfs/dbraw/zinc/18/57/46/619185746.db2.gz FMERNRSXDNADBU-JDEYZFBPSA-N 3 0 293.499 2.904 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925862273 619188584 /nfs/dbraw/zinc/18/85/84/619188584.db2.gz ZMKBHALZERCOGE-NTZNESFSSA-N 2 0 279.453 2.783 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2cccc3c2OCC3)C[C@@H]([NH3+])C1 ZINC000925874392 619195160 /nfs/dbraw/zinc/19/51/60/619195160.db2.gz JHSQIPBYKQVADV-CABCVRRESA-N 2 0 274.408 2.617 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000925874543 619195292 /nfs/dbraw/zinc/19/52/92/619195292.db2.gz SSKHMPQCQUJLNB-SQNIBIBYSA-N 2 0 288.435 2.811 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925875674 619196145 /nfs/dbraw/zinc/19/61/45/619196145.db2.gz LRADIYIKOXUJPF-DFGXFYAUSA-N 3 0 293.499 2.747 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000925875820 619196416 /nfs/dbraw/zinc/19/64/16/619196416.db2.gz WPBQSQBTGUSEKX-JHJVBQTASA-N 2 0 280.362 2.751 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877732 619197232 /nfs/dbraw/zinc/19/72/32/619197232.db2.gz VZYMGSRFKZHDLD-IFIJOSMWSA-N 2 0 274.408 2.790 20 0 CFADRP Cc1ccc(NCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)nc1 ZINC000925877840 619197272 /nfs/dbraw/zinc/19/72/72/619197272.db2.gz MMUOAZZCIRVMGS-HOTGVXAUSA-N 2 0 282.391 2.536 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925881113 619201735 /nfs/dbraw/zinc/20/17/35/619201735.db2.gz XOIPPOCSYKXCII-YQFWSFKMSA-N 2 0 288.435 2.950 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925882259 619202146 /nfs/dbraw/zinc/20/21/46/619202146.db2.gz JSBDKTXAGJEFAK-AXFHLTTASA-N 2 0 254.399 2.535 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC(C)(C)CO2)CCN1C ZINC000878162679 619254537 /nfs/dbraw/zinc/25/45/37/619254537.db2.gz HZFSLQPSNZKVNT-ILXRZTDVSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cnc1F ZINC000894230330 619272326 /nfs/dbraw/zinc/27/23/26/619272326.db2.gz DKEAUEAOPDSFIS-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000924930007 619286768 /nfs/dbraw/zinc/28/67/68/619286768.db2.gz GGNQYWDDRMCUGO-AWEZNQCLSA-N 2 0 279.428 2.950 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000924955363 619301073 /nfs/dbraw/zinc/30/10/73/619301073.db2.gz NVCSTJNTCNYWHZ-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)c1 ZINC000924957280 619302105 /nfs/dbraw/zinc/30/21/05/619302105.db2.gz FTBKFBUVDSZMAU-CKEIUWERSA-N 2 0 276.424 2.651 20 0 CFADRP COc1ccnc([C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000924961167 619304569 /nfs/dbraw/zinc/30/45/69/619304569.db2.gz UYKHCOIKQCQUTB-LSDHHAIUSA-N 2 0 291.439 2.861 20 0 CFADRP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000261918561 619314507 /nfs/dbraw/zinc/31/45/07/619314507.db2.gz ZWYOSDRKFUPBMN-CZUORRHYSA-N 2 0 262.397 2.775 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924986340 619318024 /nfs/dbraw/zinc/31/80/24/619318024.db2.gz KFXCLCDFOALGOP-XJKSGUPXSA-N 2 0 262.397 2.578 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925030065 619345839 /nfs/dbraw/zinc/34/58/39/619345839.db2.gz UFMMTZNESNHNNS-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000894359871 619350449 /nfs/dbraw/zinc/35/04/49/619350449.db2.gz UCJROQUUXXEKGF-WBVHZDCISA-N 2 0 298.434 2.800 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000262018902 619376624 /nfs/dbraw/zinc/37/66/24/619376624.db2.gz VYLXHSGHMZPUOA-ZFWWWQNUSA-N 2 0 262.397 2.563 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1OC ZINC000894455476 619390583 /nfs/dbraw/zinc/39/05/83/619390583.db2.gz KTFONOBRKULFQJ-XHSDSOJGSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(N)[nH+]cc1Cl ZINC000894476035 619396023 /nfs/dbraw/zinc/39/60/23/619396023.db2.gz MJIGAPAQSUGCHV-SECBINFHSA-N 2 0 268.792 2.602 20 0 CFADRP CC(C)Cc1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000894593107 619427608 /nfs/dbraw/zinc/42/76/08/619427608.db2.gz IBMRRPPJJMJYQD-SFHVURJKSA-N 2 0 287.451 2.808 20 0 CFADRP CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894740932 619455569 /nfs/dbraw/zinc/45/55/69/619455569.db2.gz DKJZIZBQMKJWPA-HZPDHXFCSA-N 2 0 252.446 2.941 20 0 CFADRP CCCSC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894742548 619455755 /nfs/dbraw/zinc/45/57/55/619455755.db2.gz IHABTOLZJVMKMZ-FUDCBSFHSA-N 2 0 256.459 2.733 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(C3CCCCC3)C2)CC1 ZINC000894825376 619474760 /nfs/dbraw/zinc/47/47/60/619474760.db2.gz MSVWMFSSIMHLFD-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000894895066 619501783 /nfs/dbraw/zinc/50/17/83/619501783.db2.gz OYQUAHYITBTMTG-HOTGVXAUSA-N 2 0 250.430 2.744 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000894977241 619520583 /nfs/dbraw/zinc/52/05/83/619520583.db2.gz IXXBDLSHDRYPRQ-WTIISPKJSA-N 2 0 289.261 2.622 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[nH]n1 ZINC000925104273 619537396 /nfs/dbraw/zinc/53/73/96/619537396.db2.gz SSTYJRDPSAPNOV-ZDUSSCGKSA-N 2 0 272.396 2.631 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@@H](C)C1(F)F ZINC000895549456 619549793 /nfs/dbraw/zinc/54/97/93/619549793.db2.gz FUHCUIBBHPYKRQ-VXGBXAGGSA-N 2 0 260.372 2.551 20 0 CFADRP Cc1occc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556040 619554199 /nfs/dbraw/zinc/55/41/99/619554199.db2.gz FMRQYHZVZQYHDU-ZDUSSCGKSA-N 2 0 271.364 2.694 20 0 CFADRP C[C@H]1C[N@H+](CC2CCSCC2)CCN1c1cc[nH+]cc1 ZINC000895556104 619554444 /nfs/dbraw/zinc/55/44/44/619554444.db2.gz FGNNBFNSBRMRCK-AWEZNQCLSA-N 2 0 291.464 2.735 20 0 CFADRP C[C@H]1C[N@H+](C[C@]2(C)CCCS2)CCN1c1cc[nH+]cc1 ZINC000895556604 619554762 /nfs/dbraw/zinc/55/47/62/619554762.db2.gz LISHKKPGZMEGQE-HOCLYGCPSA-N 2 0 291.464 2.878 20 0 CFADRP COCCCC1(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCC1 ZINC000895586916 619561581 /nfs/dbraw/zinc/56/15/81/619561581.db2.gz APXJTSIHGYSSAV-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP CN(CCCC[NH+]1CCCCC1)Cc1c(Cl)cnn1C ZINC000895682130 619585497 /nfs/dbraw/zinc/58/54/97/619585497.db2.gz BBPGLLHOAHBASV-UHFFFAOYSA-N 2 0 298.862 2.771 20 0 CFADRP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895785111 619606350 /nfs/dbraw/zinc/60/63/50/619606350.db2.gz QMVCUSHUPTWFHZ-KNCCTNLNSA-N 2 0 285.435 2.932 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000895821430 619615013 /nfs/dbraw/zinc/61/50/13/619615013.db2.gz CTKTUKAKJWMTQL-UHFFFAOYSA-N 2 0 294.468 2.768 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000895822107 619615030 /nfs/dbraw/zinc/61/50/30/619615030.db2.gz JFOPEPQDUUYNPS-CQSZACIVSA-N 2 0 268.470 2.690 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@](C)(OC)C2CC2)CC1 ZINC000895822135 619615038 /nfs/dbraw/zinc/61/50/38/619615038.db2.gz KRCYUDIXSBTKAH-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC000895845398 619618095 /nfs/dbraw/zinc/61/80/95/619618095.db2.gz VQDMPXDQCLVHCK-ROUUACIJSA-N 2 0 272.436 2.872 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccnc1 ZINC000896717616 619797443 /nfs/dbraw/zinc/79/74/43/619797443.db2.gz TZBCOHAPYLKSEE-ORQFMDKSSA-N 2 0 273.424 2.710 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000925151666 619981057 /nfs/dbraw/zinc/98/10/57/619981057.db2.gz NDEXTLGEQZNAFG-ZWKOTPCHSA-N 2 0 293.499 2.715 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000925220113 620031332 /nfs/dbraw/zinc/03/13/32/620031332.db2.gz HYICGGRSIRPZHR-QKPAOTATSA-N 2 0 270.461 2.779 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000226435202 620058183 /nfs/dbraw/zinc/05/81/83/620058183.db2.gz FFSYAWLXRACYAK-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP COC(C)(C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925270451 620164590 /nfs/dbraw/zinc/16/45/90/620164590.db2.gz NYEZXSDMAJIFGM-ZDUSSCGKSA-N 2 0 264.413 2.824 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2(C3(O)CCC3)CC2)CC1 ZINC000897524617 620209163 /nfs/dbraw/zinc/20/91/63/620209163.db2.gz ASSUIEASJGVAPU-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841004773 620211941 /nfs/dbraw/zinc/21/19/41/620211941.db2.gz QDPGHPCGYSTDRO-VXGBXAGGSA-N 2 0 267.804 2.555 20 0 CFADRP COc1ccc(C)cc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032043 620258450 /nfs/dbraw/zinc/25/84/50/620258450.db2.gz HTYPQYQICQLOGS-UHFFFAOYSA-N 2 0 284.403 2.795 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CC34CC(O)C4)CC2)C1 ZINC000897848493 620293490 /nfs/dbraw/zinc/29/34/90/620293490.db2.gz MSEFAQMDVHATKD-AZGBUSBKSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000897971510 620306197 /nfs/dbraw/zinc/30/61/97/620306197.db2.gz ZIGYUGIHXNFPNG-CQSZACIVSA-N 2 0 275.440 2.865 20 0 CFADRP CSC1(C[NH+]2CCC([NH2+]C3CCC3)CC2)CCC1 ZINC000897980969 620317792 /nfs/dbraw/zinc/31/77/92/620317792.db2.gz HLMNEHXDPJQKIP-UHFFFAOYSA-N 2 0 268.470 2.879 20 0 CFADRP CCOC1CCC([NH2+]CCN2CCC(C)(C)C2)CC1 ZINC000898033728 620326693 /nfs/dbraw/zinc/32/66/93/620326693.db2.gz AGBCTGKYRRQRQQ-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898112996 620335815 /nfs/dbraw/zinc/33/58/15/620335815.db2.gz XYWPBAXDVHFWCF-HNNXBMFYSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)(C)O ZINC000898124989 620336982 /nfs/dbraw/zinc/33/69/82/620336982.db2.gz BZUJSXFGUMKHSL-OFQRWUPVSA-N 2 0 282.472 2.779 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000898262006 620360014 /nfs/dbraw/zinc/36/00/14/620360014.db2.gz WMAAALVIVBPJDV-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@H]3CCC[NH2+]CC3)ccc2O1 ZINC000841059122 620423390 /nfs/dbraw/zinc/42/33/90/620423390.db2.gz XZMQGYPMGPPKHB-HNNXBMFYSA-N 2 0 274.408 2.632 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)oc21 ZINC000841058825 620423506 /nfs/dbraw/zinc/42/35/06/620423506.db2.gz VUHITGWHUJALMK-CHWSQXEVSA-N 2 0 274.364 2.801 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000873254768 620439806 /nfs/dbraw/zinc/43/98/06/620439806.db2.gz ACRHNMAXUSQZDN-QXEWZRGKSA-N 2 0 256.752 2.867 20 0 CFADRP C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ncco1 ZINC000924684351 620440256 /nfs/dbraw/zinc/44/02/56/620440256.db2.gz FCYWOXOIKVCBPH-KGLIPLIRSA-N 2 0 265.401 2.980 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924750643 620524402 /nfs/dbraw/zinc/52/44/02/620524402.db2.gz GTZBUKVALVZZSS-WMLDXEAASA-N 2 0 280.456 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@H](O)c2ccco2)CC1 ZINC000183146521 625435419 /nfs/dbraw/zinc/43/54/19/625435419.db2.gz PCRDXICPKZAPIP-HIFRSBDPSA-N 2 0 280.412 2.556 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000900011344 620622574 /nfs/dbraw/zinc/62/25/74/620622574.db2.gz CMSSNFMEKRLSAT-CQSZACIVSA-N 2 0 286.379 2.741 20 0 CFADRP CC1(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)COC1 ZINC000902319348 621023343 /nfs/dbraw/zinc/02/33/43/621023343.db2.gz MDHREUHZVUBUQH-HNNXBMFYSA-N 2 0 298.377 2.761 20 0 CFADRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320669 621023754 /nfs/dbraw/zinc/02/37/54/621023754.db2.gz QUPAFSZWHLBIOT-LSDHHAIUSA-N 2 0 292.471 2.666 20 0 CFADRP C[C@H](C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F)N(C)C ZINC000902315798 621031086 /nfs/dbraw/zinc/03/10/86/621031086.db2.gz DKCSJZLPUIFJKY-MLGOLLRUSA-N 2 0 299.409 2.675 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902344066 621033704 /nfs/dbraw/zinc/03/37/04/621033704.db2.gz AYIVVKDKDRJKPA-HNNXBMFYSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902322079 621035671 /nfs/dbraw/zinc/03/56/71/621035671.db2.gz YNSKRQVEADOUHW-PMPSAXMXSA-N 2 0 282.472 2.950 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902332376 621039027 /nfs/dbraw/zinc/03/90/27/621039027.db2.gz FFDDXUFWJKNHAE-CQSZACIVSA-N 2 0 270.461 2.543 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCOc2ccc(F)cc2)C1 ZINC000902334977 621040450 /nfs/dbraw/zinc/04/04/50/621040450.db2.gz UYZBYRKHQQNRIL-HNNXBMFYSA-N 2 0 294.414 2.962 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902335656 621041135 /nfs/dbraw/zinc/04/11/35/621041135.db2.gz JNHAUPSOVOPYDG-HIFRSBDPSA-N 2 0 261.413 2.553 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902373404 621044872 /nfs/dbraw/zinc/04/48/72/621044872.db2.gz DDZUFPBUHLOVJM-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO[C@@H]1C1CC1 ZINC000902373213 621045129 /nfs/dbraw/zinc/04/51/29/621045129.db2.gz BGQVOVKTCSDBMW-UXLLHSPISA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1nccs1 ZINC000902375465 621046496 /nfs/dbraw/zinc/04/64/96/621046496.db2.gz VVKISBMNXXULRQ-VXGBXAGGSA-N 2 0 267.442 2.614 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902377511 621047033 /nfs/dbraw/zinc/04/70/33/621047033.db2.gz RBTINVPDCABJDL-XHDPSFHLSA-N 2 0 286.366 2.759 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCCO1 ZINC000902352771 621048899 /nfs/dbraw/zinc/04/88/99/621048899.db2.gz UBAFEVFBICXMQO-CABCVRRESA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000902361860 621052973 /nfs/dbraw/zinc/05/29/73/621052973.db2.gz MQGPBLSPFUCLLK-VXGBXAGGSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365281 621054381 /nfs/dbraw/zinc/05/43/81/621054381.db2.gz YLLHQUFTBHDRFG-BXUZGUMPSA-N 2 0 279.428 2.763 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1C ZINC000902406348 621055045 /nfs/dbraw/zinc/05/50/45/621055045.db2.gz SFTMKMVPUNCLGZ-UHOFOFEASA-N 2 0 274.408 2.924 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000902384386 621059492 /nfs/dbraw/zinc/05/94/92/621059492.db2.gz KTNTUNLTVITKEJ-JTQLQIEISA-N 2 0 264.335 2.697 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](C)O1 ZINC000902383842 621059818 /nfs/dbraw/zinc/05/98/18/621059818.db2.gz GAKNBRJJVCHOQU-FMKPAKJESA-N 2 0 282.472 2.948 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000902403493 621068961 /nfs/dbraw/zinc/06/89/61/621068961.db2.gz HKCSUYPVUXKGKJ-DFBGVHRSSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000902428527 621075624 /nfs/dbraw/zinc/07/56/24/621075624.db2.gz DYNAKNHXCIFZDZ-GHMZBOCLSA-N 2 0 297.240 2.750 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])OC1 ZINC000902428909 621076260 /nfs/dbraw/zinc/07/62/60/621076260.db2.gz HYHSFNAZROAPFB-QLFBSQMISA-N 2 0 268.445 2.831 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)OC1 ZINC000902431172 621077047 /nfs/dbraw/zinc/07/70/47/621077047.db2.gz SAZZAJVZCNGZLA-HUUCEWRRSA-N 2 0 280.456 2.846 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1CCOCC1 ZINC000902432870 621078183 /nfs/dbraw/zinc/07/81/83/621078183.db2.gz RLUSIHXFDLIJEG-LSDHHAIUSA-N 2 0 268.445 2.689 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000902434805 621078673 /nfs/dbraw/zinc/07/86/73/621078673.db2.gz ZSYPGHDLPGLJPD-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435866 621079363 /nfs/dbraw/zinc/07/93/63/621079363.db2.gz WICHDPMHMFKAJS-AETAKHFUSA-N 2 0 287.451 2.512 20 0 CFADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000902443786 621082386 /nfs/dbraw/zinc/08/23/86/621082386.db2.gz MCQBUMFXWXDZPB-INIZCTEOSA-N 2 0 258.409 2.522 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2([NH3+])CC2)cc1F ZINC000902413844 621084415 /nfs/dbraw/zinc/08/44/15/621084415.db2.gz OUSYDUXSUMDQJB-DZGCQCFKSA-N 2 0 292.398 2.941 20 0 CFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902413922 621084522 /nfs/dbraw/zinc/08/45/22/621084522.db2.gz PQZZJZNMZILLRY-MNOVXSKESA-N 2 0 275.421 2.869 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000902453500 621093038 /nfs/dbraw/zinc/09/30/38/621093038.db2.gz DKMSDPGUMMUISG-GDBMZVCRSA-N 2 0 293.455 2.821 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1)[NH2+]2 ZINC000902453812 621093043 /nfs/dbraw/zinc/09/30/43/621093043.db2.gz QXXBGICLVWMMLG-HTOAHKCRSA-N 2 0 268.470 2.779 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000902453502 621093287 /nfs/dbraw/zinc/09/32/87/621093287.db2.gz DKMSDPGUMMUISG-HOCLYGCPSA-N 2 0 293.455 2.821 20 0 CFADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000902455532 621094007 /nfs/dbraw/zinc/09/40/07/621094007.db2.gz KTMWFKAGZVJIMM-GVDBMIGSSA-N 2 0 293.499 2.619 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000902455691 621094294 /nfs/dbraw/zinc/09/42/94/621094294.db2.gz YBHTXGCEXAUBQM-FXJUQPSGSA-N 2 0 254.443 2.533 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902467607 621099957 /nfs/dbraw/zinc/09/99/57/621099957.db2.gz PMWICQZAKKMNCG-HHHUOAJASA-N 2 0 262.319 2.590 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471357 621101630 /nfs/dbraw/zinc/10/16/30/621101630.db2.gz NTZBOFLVDXQZIL-NNPSNHGLSA-N 2 0 270.420 2.880 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902471335 621101757 /nfs/dbraw/zinc/10/17/57/621101757.db2.gz NNASEKZFIBVXEV-PFPDTZPXSA-N 2 0 291.483 2.512 20 0 CFADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000902491386 621102793 /nfs/dbraw/zinc/10/27/93/621102793.db2.gz WSKPORMLGUPCRZ-DAXOMENPSA-N 2 0 274.408 2.790 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000902485948 621111433 /nfs/dbraw/zinc/11/14/33/621111433.db2.gz CNAUWAPHKSZGTR-XIRDDKMYSA-N 2 0 258.409 2.643 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486032 621111498 /nfs/dbraw/zinc/11/14/98/621111498.db2.gz FJEPNXYRPPAQLR-MPKXVKKWSA-N 2 0 252.789 2.598 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]1OCc1ccccc1 ZINC000902486347 621111713 /nfs/dbraw/zinc/11/17/13/621111713.db2.gz QHRYETGTOQBETA-QAETUUGQSA-N 2 0 288.435 2.697 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000902486633 621111980 /nfs/dbraw/zinc/11/19/80/621111980.db2.gz HNAFLIQUYZVETM-CKYFFXLPSA-N 2 0 292.814 2.615 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000902486587 621112100 /nfs/dbraw/zinc/11/21/00/621112100.db2.gz QWOMDCKLIUHKFI-KFZJALRRSA-N 2 0 292.398 2.620 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000902489330 621113113 /nfs/dbraw/zinc/11/31/13/621113113.db2.gz PDEMSWFWLCPESY-QXEWZRGKSA-N 2 0 256.752 2.867 20 0 CFADRP C(CN1CCCC1)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902725902 621158792 /nfs/dbraw/zinc/15/87/92/621158792.db2.gz HWRWVWAWVVPEGP-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902728062 621159564 /nfs/dbraw/zinc/15/95/64/621159564.db2.gz KBPCPAHVFCFSFW-QXDIGNSFSA-N 2 0 292.467 2.512 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903091023 621249473 /nfs/dbraw/zinc/24/94/73/621249473.db2.gz LOJQLUOGMSQVLG-HOTGVXAUSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000903070850 621250640 /nfs/dbraw/zinc/25/06/40/621250640.db2.gz YFSHSRZYBOUMHQ-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903092965 621257709 /nfs/dbraw/zinc/25/77/09/621257709.db2.gz NXXCCUJREYHUHJ-CVGRLMLNSA-N 2 0 280.456 2.531 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903113637 621259565 /nfs/dbraw/zinc/25/95/65/621259565.db2.gz PWOZZNRQXSIJKF-BDFJQQSHSA-N 2 0 292.467 2.937 20 0 CFADRP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903125927 621261960 /nfs/dbraw/zinc/26/19/60/621261960.db2.gz ACRVDVTYWPVYAY-CVGRLMLNSA-N 2 0 294.483 2.777 20 0 CFADRP CC(C)(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903134227 621264587 /nfs/dbraw/zinc/26/45/87/621264587.db2.gz BVFNURIYAZMCJV-LQDVMPOASA-N 2 0 266.429 2.549 20 0 CFADRP CCC(O)(CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158399 621270545 /nfs/dbraw/zinc/27/05/45/621270545.db2.gz STBDDSIIAHCRPK-VHRNVKJDSA-N 2 0 280.456 2.675 20 0 CFADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C[C@@H]1CCOC1 ZINC000903185883 621275346 /nfs/dbraw/zinc/27/53/46/621275346.db2.gz GZTAIHFDNULPIF-ZBSSRIJBSA-N 2 0 278.440 2.551 20 0 CFADRP Cc1ncsc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903178613 621276322 /nfs/dbraw/zinc/27/63/22/621276322.db2.gz ILVRWTRJYHHYNL-LQDVMPOASA-N 2 0 291.464 2.741 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H](C)O1 ZINC000903185133 621278420 /nfs/dbraw/zinc/27/84/20/621278420.db2.gz HSWVGSWFMIHZGL-AACDENIVSA-N 2 0 278.440 2.547 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CC(C)C ZINC000903189682 621286193 /nfs/dbraw/zinc/28/61/93/621286193.db2.gz GHIZEYSARPEUEO-YQAQFAQXSA-N 2 0 280.456 2.795 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903223535 621293357 /nfs/dbraw/zinc/29/33/57/621293357.db2.gz GRNMYXUSEXBXKY-YPRXJGMQSA-N 2 0 266.429 2.547 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[C@@H](C)C1 ZINC000903320061 621321395 /nfs/dbraw/zinc/32/13/95/621321395.db2.gz YWBDBPOQRNUUHD-KFGODFMUSA-N 2 0 294.483 2.902 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000903331678 621341861 /nfs/dbraw/zinc/34/18/61/621341861.db2.gz FKMGDPRXEVXCPA-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000903354363 621345893 /nfs/dbraw/zinc/34/58/93/621345893.db2.gz TYHBWANAGXTGMS-ZIAGYGMSSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903394716 621352882 /nfs/dbraw/zinc/35/28/82/621352882.db2.gz GFIOHUZLBSSZMV-TXCZRRACSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903384636 621356374 /nfs/dbraw/zinc/35/63/74/621356374.db2.gz RYMGHZUIMPPKFM-CZUORRHYSA-N 2 0 261.413 2.853 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903426272 621370361 /nfs/dbraw/zinc/37/03/61/621370361.db2.gz GJGSVEHJWGJRGA-UKPHBRMFSA-N 2 0 274.408 2.960 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000903429294 621371300 /nfs/dbraw/zinc/37/13/00/621371300.db2.gz DQLSOKLUWYXUNN-GVDBMIGSSA-N 2 0 258.409 2.821 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000903430545 621371726 /nfs/dbraw/zinc/37/17/26/621371726.db2.gz WAJKLAUFAKIKPF-IVMMDQJWSA-N 2 0 262.372 2.818 20 0 CFADRP COCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000903430910 621372228 /nfs/dbraw/zinc/37/22/28/621372228.db2.gz IGLBOHIUDFKFBK-VYDXJSESSA-N 2 0 276.424 2.552 20 0 CFADRP CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431530 621372501 /nfs/dbraw/zinc/37/25/01/621372501.db2.gz YKQKODWVMDUOHA-DYEKYZERSA-N 2 0 264.438 2.913 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434300 621372547 /nfs/dbraw/zinc/37/25/47/621372547.db2.gz AUDJLZBHWOSPDT-YCPHGPKFSA-N 2 0 274.408 2.688 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000903435091 621373384 /nfs/dbraw/zinc/37/33/84/621373384.db2.gz NPVCNBJKILCVHK-DOMZBBRYSA-N 2 0 294.389 3.000 20 0 CFADRP COc1c(C)cc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903435431 621373464 /nfs/dbraw/zinc/37/34/64/621373464.db2.gz TYENKKYFCJZROB-ZBFHGGJFSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903438027 621375309 /nfs/dbraw/zinc/37/53/09/621375309.db2.gz PSRDLXAMPDDYJV-BZPMIXESSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000903440151 621376836 /nfs/dbraw/zinc/37/68/36/621376836.db2.gz UXJOONYSSRYZKU-HIFRSBDPSA-N 2 0 276.399 2.861 20 0 CFADRP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440472 621377170 /nfs/dbraw/zinc/37/71/70/621377170.db2.gz ZDZWTRQXEHFYTJ-FSDCSDTHSA-N 2 0 258.409 2.992 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903460880 621381451 /nfs/dbraw/zinc/38/14/51/621381451.db2.gz KPFBMPWVCHGVPT-COXVUDFISA-N 2 0 276.399 2.917 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461846 621381783 /nfs/dbraw/zinc/38/17/83/621381783.db2.gz YUYANJCTWPBFOX-MJBXVCDLSA-N 2 0 290.398 2.640 20 0 CFADRP C[C@H]([NH2+]CCCOc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000903445195 621384075 /nfs/dbraw/zinc/38/40/75/621384075.db2.gz FUQHLIADIZMXPC-AWEZNQCLSA-N 2 0 294.414 2.915 20 0 CFADRP C[C@@H]([NH2+]CCCOc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000903445198 621384088 /nfs/dbraw/zinc/38/40/88/621384088.db2.gz FUQHLIADIZMXPC-CQSZACIVSA-N 2 0 294.414 2.915 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(N3CCc4ccccc43)CC2)C1 ZINC000903457107 621388524 /nfs/dbraw/zinc/38/85/24/621388524.db2.gz NTHJLAUJYSRODX-DOTOQJQBSA-N 2 0 299.462 2.641 20 0 CFADRP FC(F)(F)CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472976 621389895 /nfs/dbraw/zinc/38/98/95/621389895.db2.gz YFSGVXWMWOQVAI-SNVBAGLBSA-N 2 0 250.308 2.593 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472422 621389979 /nfs/dbraw/zinc/38/99/79/621389979.db2.gz YPVKRYWVWKLGSZ-DOTOQJQBSA-N 2 0 270.420 2.981 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000903474952 621390435 /nfs/dbraw/zinc/39/04/35/621390435.db2.gz WDWQVQATEWUKHF-XEIOYGOASA-N 2 0 270.420 2.849 20 0 CFADRP Cc1cncc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903475997 621390442 /nfs/dbraw/zinc/39/04/42/621390442.db2.gz KDSGNONLILARNS-KBMXLJTQSA-N 2 0 259.397 2.654 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482041 621392561 /nfs/dbraw/zinc/39/25/61/621392561.db2.gz VGXXQHWGLXBWEE-TYNCELHUSA-N 2 0 259.397 2.649 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484242 621392891 /nfs/dbraw/zinc/39/28/91/621392891.db2.gz PXACJKQQHMFZQF-QGZVFWFLSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903499419 621394140 /nfs/dbraw/zinc/39/41/40/621394140.db2.gz UGSSSYJNXCQACO-VDHUWJSZSA-N 2 0 288.435 2.823 20 0 CFADRP FC1(F)C[C@]2(CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491159 621394901 /nfs/dbraw/zinc/39/49/01/621394901.db2.gz XUDVGFJHQLNBST-RYUDHWBXSA-N 2 0 294.336 2.743 20 0 CFADRP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507405 621395196 /nfs/dbraw/zinc/39/51/96/621395196.db2.gz YISPSPMFSLAOTI-NXHRZFHOSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510725 621395601 /nfs/dbraw/zinc/39/56/01/621395601.db2.gz JMQJMOLFLBGYDH-LZQZEXGQSA-N 2 0 299.462 2.648 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccnc2Cl)CC1 ZINC000841077622 621418445 /nfs/dbraw/zinc/41/84/45/621418445.db2.gz ADHROXJGGAMOFE-HAQNSBGRSA-N 2 0 267.804 2.590 20 0 CFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(F)c(Cl)c1)C1CC1 ZINC000903717718 621424352 /nfs/dbraw/zinc/42/43/52/621424352.db2.gz UBQMKRPBEKVZRL-AWEZNQCLSA-N 2 0 286.778 2.575 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717987 621424650 /nfs/dbraw/zinc/42/46/50/621424650.db2.gz GWTBMGLGLCIROG-HOTGVXAUSA-N 2 0 294.826 2.540 20 0 CFADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000903717536 621424774 /nfs/dbraw/zinc/42/47/74/621424774.db2.gz REBUHDTXAYNJBR-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903721619 621426002 /nfs/dbraw/zinc/42/60/02/621426002.db2.gz BSHLLSCUDCGXEC-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]2CCCC[C@@H]12 ZINC000903721998 621426062 /nfs/dbraw/zinc/42/60/62/621426062.db2.gz GXGHIBQERNKYEQ-ICUGJSFKSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722651 621426844 /nfs/dbraw/zinc/42/68/44/621426844.db2.gz CHNDHFVHMIRFRG-HOCLYGCPSA-N 2 0 294.464 2.727 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903722293 621426907 /nfs/dbraw/zinc/42/69/07/621426907.db2.gz KGOGUMVXOFUIIW-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000903722835 621426942 /nfs/dbraw/zinc/42/69/42/621426942.db2.gz DRLXNTAYKFCPMC-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@H](c1cccs1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724925 621427318 /nfs/dbraw/zinc/42/73/18/621427318.db2.gz SIXXXVUMHSABQJ-KGLIPLIRSA-N 2 0 294.464 2.900 20 0 CFADRP CC[N@@H+](Cc1ccccc1C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723979 621427467 /nfs/dbraw/zinc/42/74/67/621427467.db2.gz KJCAVGVUHVBHQF-ROUUACIJSA-N 2 0 288.435 2.586 20 0 CFADRP CCC(CC)C[N@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725154 621427774 /nfs/dbraw/zinc/42/77/74/621427774.db2.gz XIZBEBXCWRVAPJ-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CCC1CCCCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727684 621428944 /nfs/dbraw/zinc/42/89/44/621428944.db2.gz XBDLIMJULSSEJK-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C2CCCC2)CC1 ZINC000903732920 621430362 /nfs/dbraw/zinc/43/03/62/621430362.db2.gz HQOVMVDISPCWGB-ZWKOTPCHSA-N 2 0 292.467 2.657 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000903748863 621432568 /nfs/dbraw/zinc/43/25/68/621432568.db2.gz BYVHMQOSWJNRRL-NVXWUHKLSA-N 2 0 258.409 2.994 20 0 CFADRP FCc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903750096 621432621 /nfs/dbraw/zinc/43/26/21/621432621.db2.gz UQPKHDCDCIMBNT-RDJZCZTQSA-N 2 0 276.399 2.978 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@@H]1CCCC[NH2+]C1)c1nccs1 ZINC000903752926 621433061 /nfs/dbraw/zinc/43/30/61/621433061.db2.gz QGTQEKAEHAVFFA-QWHCGFSZSA-N 2 0 267.442 2.568 20 0 CFADRP CCC[C@]1(C)CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903734957 621433804 /nfs/dbraw/zinc/43/38/04/621433804.db2.gz XYBFTOWLBPYBRA-ZACQAIPSSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccccc1C1([NH2+]C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903762658 621435928 /nfs/dbraw/zinc/43/59/28/621435928.db2.gz CJANMHBPLJDTBQ-OAHLLOKOSA-N 2 0 258.409 2.963 20 0 CFADRP C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903765475 621437182 /nfs/dbraw/zinc/43/71/82/621437182.db2.gz IEPKMRFWUCBQPR-KSZLIROESA-N 2 0 292.467 2.800 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000903767115 621437439 /nfs/dbraw/zinc/43/74/39/621437439.db2.gz UHVAWICGVAUJPW-ULQDDVLXSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2CF)C[C@H]1C[NH3+] ZINC000903758780 621438518 /nfs/dbraw/zinc/43/85/18/621438518.db2.gz MJYHTEOBMSURMM-SWLSCSKDSA-N 2 0 250.361 2.573 20 0 CFADRP CN(C)c1ccccc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790496 621438595 /nfs/dbraw/zinc/43/85/95/621438595.db2.gz LFFUTLIDDIWICZ-UHFFFAOYSA-N 2 0 289.467 2.950 20 0 CFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757563 621438725 /nfs/dbraw/zinc/43/87/25/621438725.db2.gz DLKJMHVCHPTEIF-LAQRGFTBSA-N 2 0 288.435 2.537 20 0 CFADRP CCc1cnc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)o1 ZINC000903794024 621439641 /nfs/dbraw/zinc/43/96/41/621439641.db2.gz XXGUWOIVLOAAEF-UHFFFAOYSA-N 2 0 299.418 2.730 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)ccn1 ZINC000903794029 621439648 /nfs/dbraw/zinc/43/96/48/621439648.db2.gz YEQPFRTZSQAYDD-UHFFFAOYSA-N 2 0 295.430 2.883 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000903779385 621440547 /nfs/dbraw/zinc/44/05/47/621440547.db2.gz YHVZZOAPYPHJHD-KRWDZBQOSA-N 2 0 275.440 2.895 20 0 CFADRP c1ccc([C@]23C[C@H]2C[N@@H+](C[C@H]2CCCC[NH2+]C2)C3)cc1 ZINC000903784278 621441364 /nfs/dbraw/zinc/44/13/64/621441364.db2.gz MYZBWJFVQWRCFG-RYQLBKOJSA-N 2 0 270.420 2.650 20 0 CFADRP FC1(F)C[C@]2(CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)C1(F)F ZINC000903784227 621441437 /nfs/dbraw/zinc/44/14/37/621441437.db2.gz MAFKWCKEABGNCP-NEPJUHHUSA-N 2 0 294.336 2.743 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903788061 621442461 /nfs/dbraw/zinc/44/24/61/621442461.db2.gz BEIYFPQYHVPKDC-LSDHHAIUSA-N 2 0 293.480 2.706 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCCc2ccncc2)CCC1 ZINC000903810355 621446275 /nfs/dbraw/zinc/44/62/75/621446275.db2.gz BIGAVPRMVMQPSN-QGZVFWFLSA-N 2 0 287.451 2.998 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cccnc2)CCC1 ZINC000903811886 621447725 /nfs/dbraw/zinc/44/77/25/621447725.db2.gz PKNCNUZLELEONQ-HNNXBMFYSA-N 2 0 259.397 2.565 20 0 CFADRP C([C@H]1CC2CCC1CC2)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819744 621448336 /nfs/dbraw/zinc/44/83/36/621448336.db2.gz NQCGAKIAWNINSZ-OFLPRAFFSA-N 2 0 292.467 2.657 20 0 CFADRP C(C[N@@H+]1CCCSC[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000903825586 621450510 /nfs/dbraw/zinc/45/05/10/621450510.db2.gz ACPXSRDACDPXIB-HIFRSBDPSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000903833921 621452755 /nfs/dbraw/zinc/45/27/55/621452755.db2.gz ZNLBZGXJWBCIIO-IAGOWNOFSA-N 2 0 287.451 2.587 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H]2CC=CC[C@H]2C)cc1 ZINC000903849716 621455380 /nfs/dbraw/zinc/45/53/80/621455380.db2.gz GOMOVBDLHVEBCR-FRFSOERESA-N 2 0 274.408 2.682 20 0 CFADRP C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903850057 621456041 /nfs/dbraw/zinc/45/60/41/621456041.db2.gz JLGJMTFQBLLILW-CXAGYDPISA-N 2 0 256.393 2.777 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000903862941 621459073 /nfs/dbraw/zinc/45/90/73/621459073.db2.gz HBMKVBTZBCISGE-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CCCCC1 ZINC000903873422 621462147 /nfs/dbraw/zinc/46/21/47/621462147.db2.gz QTQOJRVENNWLEO-HNNXBMFYSA-N 2 0 292.471 2.501 20 0 CFADRP c1ccc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903877502 621462853 /nfs/dbraw/zinc/46/28/53/621462853.db2.gz AZXQORBXOFLWLF-ONQFOCNCSA-N 2 0 286.419 2.591 20 0 CFADRP C[C@@H](C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC000903902415 621468360 /nfs/dbraw/zinc/46/83/60/621468360.db2.gz GBLMHTAVJNXUNX-FUDCBSFHSA-N 2 0 279.453 2.709 20 0 CFADRP C[C@@H](c1cccnc1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905370 621469434 /nfs/dbraw/zinc/46/94/34/621469434.db2.gz DDMSDBCHAAVWHU-WYQXTGKHSA-N 2 0 259.397 2.605 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(Cl)cs1 ZINC000903978974 621494290 /nfs/dbraw/zinc/49/42/90/621494290.db2.gz QTUBYWGPSNOGHN-NXEZZACHSA-N 2 0 258.818 2.737 20 0 CFADRP c1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2c(c1)NCCC2 ZINC000903920592 621473086 /nfs/dbraw/zinc/47/30/86/621473086.db2.gz WHCXDZKVHBFDBJ-VHRNVKJDSA-N 2 0 285.435 2.665 20 0 CFADRP Cc1ccc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000903920831 621473112 /nfs/dbraw/zinc/47/31/12/621473112.db2.gz MBIBCTCMGQARQY-ZNXRZULTSA-N 2 0 272.436 2.966 20 0 CFADRP Fc1cccc(CCC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903921878 621473629 /nfs/dbraw/zinc/47/36/29/621473629.db2.gz RZAOSOCSRIILJS-ZXFUBFMLSA-N 2 0 276.399 2.879 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000903923618 621474191 /nfs/dbraw/zinc/47/41/91/621474191.db2.gz YMWNTNZHGYNMAJ-NXCDMZCRSA-N 2 0 287.451 2.941 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924479 621474511 /nfs/dbraw/zinc/47/45/11/621474511.db2.gz DMCPJJTWDYVROF-MUOSFQKXSA-N 2 0 294.483 2.948 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000903933671 621477202 /nfs/dbraw/zinc/47/72/02/621477202.db2.gz VAYCCSPBIKCSAN-ONQFOCNCSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000903938796 621478124 /nfs/dbraw/zinc/47/81/24/621478124.db2.gz KOPZKQVRAPBSQE-UHFFFAOYSA-N 2 0 261.344 2.591 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000903956960 621478608 /nfs/dbraw/zinc/47/86/08/621478608.db2.gz OAHIAAIPZVASNJ-ZNMIVQPWSA-N 2 0 280.362 2.625 20 0 CFADRP Cc1ccc(C[NH2+]CCC(C)(C)[NH3+])c(-c2ccnn2C)c1 ZINC000903939914 621481829 /nfs/dbraw/zinc/48/18/29/621481829.db2.gz QJKPFEJQSLWGFP-UHFFFAOYSA-N 2 0 286.423 2.613 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903947773 621484991 /nfs/dbraw/zinc/48/49/91/621484991.db2.gz HMKSPGCIUZLFRA-LSDHHAIUSA-N 2 0 298.471 2.532 20 0 CFADRP F[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903947798 621485386 /nfs/dbraw/zinc/48/53/86/621485386.db2.gz IEMBQKADBFAKFY-JKSUJKDBSA-N 2 0 262.372 2.601 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956658 621491126 /nfs/dbraw/zinc/49/11/26/621491126.db2.gz MKSNSOKXWCASAZ-ZFWWWQNUSA-N 2 0 282.378 2.842 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CNCC3(CCOCC3)C2)C1 ZINC000903971482 621491691 /nfs/dbraw/zinc/49/16/91/621491691.db2.gz BXMUZWZJOFELRE-IXDOHACOSA-N 2 0 294.483 2.951 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974198 621492284 /nfs/dbraw/zinc/49/22/84/621492284.db2.gz LQEFSGNBAOUIAA-GMTAPVOTSA-N 2 0 252.324 2.553 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cscc1Cl ZINC000903974500 621492720 /nfs/dbraw/zinc/49/27/20/621492720.db2.gz PNXHOZPWZKMSTN-NXEZZACHSA-N 2 0 258.818 2.737 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(Cl)ccc1F ZINC000903974504 621492842 /nfs/dbraw/zinc/49/28/42/621492842.db2.gz PTFJFKYMTGDMKS-GHMZBOCLSA-N 2 0 270.779 2.814 20 0 CFADRP CC(C)c1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903974882 621492899 /nfs/dbraw/zinc/49/28/99/621492899.db2.gz VBTFQAPARUZBOD-VXGBXAGGSA-N 2 0 267.442 2.602 20 0 CFADRP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977224 621493556 /nfs/dbraw/zinc/49/35/56/621493556.db2.gz LZKDZNWUDOQLQN-UKRRQHHQSA-N 2 0 299.418 2.660 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000903978253 621493994 /nfs/dbraw/zinc/49/39/94/621493994.db2.gz CCRFBGDHHLXGLP-CXAGYDPISA-N 2 0 258.409 2.899 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000903979033 621494006 /nfs/dbraw/zinc/49/40/06/621494006.db2.gz SNCMYGLSPYKJME-CXAGYDPISA-N 2 0 258.409 2.899 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000903978641 621494064 /nfs/dbraw/zinc/49/40/64/621494064.db2.gz JAIVJLDQBXJKML-OKZRHMCRSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979004 621494395 /nfs/dbraw/zinc/49/43/95/621494395.db2.gz RQVJIOLHCGJXTI-VNHYZAJKSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000903979196 621494950 /nfs/dbraw/zinc/49/49/50/621494950.db2.gz YFRMHBRJOALRCI-LPWJVIDDSA-N 2 0 278.362 2.943 20 0 CFADRP COc1ccc2cc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)ccc2c1 ZINC000903964039 621495665 /nfs/dbraw/zinc/49/56/65/621495665.db2.gz GALGNPBZNWRRLJ-DYVFJYSZSA-N 2 0 284.403 2.794 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000903967674 621496211 /nfs/dbraw/zinc/49/62/11/621496211.db2.gz KIGVSBWQCULLJU-MFKMUULPSA-N 2 0 254.324 2.569 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967391 621496269 /nfs/dbraw/zinc/49/62/69/621496269.db2.gz ISWQIDXNXKJOEK-NFAWXSAZSA-N 2 0 264.388 2.592 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966765 621496366 /nfs/dbraw/zinc/49/63/66/621496366.db2.gz BNLYISCGPYVVLZ-YPMHNXCESA-N 2 0 252.789 2.594 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299249 621568059 /nfs/dbraw/zinc/56/80/59/621568059.db2.gz AFWCFNDUACJQCA-BBRMVZONSA-N 2 0 274.408 2.571 20 0 CFADRP CC(C)[N@@H+]1CCCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904302189 621568740 /nfs/dbraw/zinc/56/87/40/621568740.db2.gz STQIHNKFEYJIRC-OAHLLOKOSA-N 2 0 269.477 2.556 20 0 CFADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904305053 621569638 /nfs/dbraw/zinc/56/96/38/621569638.db2.gz BWYQGIFCYIVQNY-LXZKKBNFSA-N 2 0 274.408 2.960 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000904307719 621570150 /nfs/dbraw/zinc/57/01/50/621570150.db2.gz VEXJYBXBTSFJGO-HNNXBMFYSA-N 2 0 281.488 2.700 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308532 621570262 /nfs/dbraw/zinc/57/02/62/621570262.db2.gz RKKAMVVNMJSKKM-XBXGTLAGSA-N 2 0 250.361 2.773 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccccn2)CCC[NH2+]C1 ZINC000904308769 621570487 /nfs/dbraw/zinc/57/04/87/621570487.db2.gz WNVHNRJFAIUMDA-JKSUJKDBSA-N 2 0 259.397 2.608 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000904316415 621572119 /nfs/dbraw/zinc/57/21/19/621572119.db2.gz OIJKZBLEPBZHHW-HYVNUMGLSA-N 2 0 276.399 2.960 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000904337215 621572213 /nfs/dbraw/zinc/57/22/13/621572213.db2.gz RAYAQODRHPVLLN-BETUJISGSA-N 2 0 294.826 2.921 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC000904316289 621572285 /nfs/dbraw/zinc/57/22/85/621572285.db2.gz KJKFDEZHIUETHH-WOVMCDHWSA-N 2 0 276.399 2.818 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCCCC2 ZINC000904324074 621574870 /nfs/dbraw/zinc/57/48/70/621574870.db2.gz TZXAOEBXALHXCC-XUWVNRHRSA-N 2 0 280.456 2.783 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000904323140 621574924 /nfs/dbraw/zinc/57/49/24/621574924.db2.gz NFCJWIFOWZUPON-SQWLQELKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H](N(C)C[C@H]([NH3+])CCC(C)(C)C)CC[N@@H+]1C ZINC000904323391 621575053 /nfs/dbraw/zinc/57/50/53/621575053.db2.gz PHQGCWMDKPBIEN-RBSFLKMASA-N 2 0 269.477 2.555 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000904323139 621575120 /nfs/dbraw/zinc/57/51/20/621575120.db2.gz NFCJWIFOWZUPON-LZWOXQAQSA-N 2 0 268.445 2.512 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904326493 621576024 /nfs/dbraw/zinc/57/60/24/621576024.db2.gz KTDUYPPMCCQWBD-LJISPDSOSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)[C@@H]2CCCC[C@@H]21 ZINC000904331788 621576852 /nfs/dbraw/zinc/57/68/52/621576852.db2.gz LWSWANGQNUXTIR-KLHDSHLOSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)C1 ZINC000904332128 621576941 /nfs/dbraw/zinc/57/69/41/621576941.db2.gz NLTHUUCEDMUKDN-PMPSAXMXSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)(Cc1ccccc1Cl)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329114 621577011 /nfs/dbraw/zinc/57/70/11/621577011.db2.gz VXFUXOCNVFKZSV-BJHJDKERSA-N 2 0 266.816 2.988 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000904340647 621577920 /nfs/dbraw/zinc/57/79/20/621577920.db2.gz ATDURNAHCARUNY-GOSISDBHSA-N 2 0 287.451 2.959 20 0 CFADRP C[NH+]1CCC2(CCCN(C[C@@H]([NH3+])CCC(C)(C)C)C2)CC1 ZINC000904340105 621578200 /nfs/dbraw/zinc/57/82/00/621578200.db2.gz CSTHLLUDDAAWHW-INIZCTEOSA-N 2 0 295.515 2.948 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904340176 621578332 /nfs/dbraw/zinc/57/83/32/621578332.db2.gz FTZSVPZGDRDXBP-HUUCEWRRSA-N 2 0 269.477 2.556 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1C ZINC000904340911 621578378 /nfs/dbraw/zinc/57/83/78/621578378.db2.gz NUIXNXAPOBIHRN-JYJNAYRXSA-N 2 0 283.504 2.945 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000904346180 621579267 /nfs/dbraw/zinc/57/92/67/621579267.db2.gz PZRCWTLOVGSGSW-MAZHCROVSA-N 2 0 290.382 2.600 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NCc2ccc(C[NH3+])cc2)cc1 ZINC000904351069 621580969 /nfs/dbraw/zinc/58/09/69/621580969.db2.gz UOGWDNAYCNOVBR-GFCCVEGCSA-N 2 0 255.365 2.777 20 0 CFADRP CC(C)(C)c1cccc(OCC[NH2+]C2CC(C[NH3+])C2)c1 ZINC000904368694 621584156 /nfs/dbraw/zinc/58/41/56/621584156.db2.gz UEQVYOGYOYQKAB-UHFFFAOYSA-N 2 0 276.424 2.690 20 0 CFADRP CCCC[NH+]1CCC(NC[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904364196 621585394 /nfs/dbraw/zinc/58/53/94/621585394.db2.gz UDTVCCCLVVONPO-HNNXBMFYSA-N 2 0 283.504 2.994 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904376341 621587161 /nfs/dbraw/zinc/58/71/61/621587161.db2.gz PENGUOHSZUNWFQ-KGLIPLIRSA-N 2 0 263.429 2.756 20 0 CFADRP C[C@]1(C[NH+]2CCC([C@@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904378479 621587596 /nfs/dbraw/zinc/58/75/96/621587596.db2.gz DHCRJFRBWHDROU-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H](C)O1 ZINC000904378638 621587624 /nfs/dbraw/zinc/58/76/24/621587624.db2.gz GEOCITXMLLWZJU-RDBSUJKOSA-N 2 0 256.434 2.639 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904385716 621589031 /nfs/dbraw/zinc/58/90/31/621589031.db2.gz CPPVZHIVQHADPK-KRWDZBQOSA-N 2 0 281.488 2.574 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000904405126 621590213 /nfs/dbraw/zinc/59/02/13/621590213.db2.gz FCHRFRMZJGPSTJ-ZDUSSCGKSA-N 2 0 287.432 2.981 20 0 CFADRP Cc1cc(F)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000904404714 621590449 /nfs/dbraw/zinc/59/04/49/621590449.db2.gz DJCZUSGEFGVWHQ-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000904405086 621590485 /nfs/dbraw/zinc/59/04/85/621590485.db2.gz IWKNCISPWSNTBL-HNNXBMFYSA-N 2 0 298.434 2.566 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000904409908 621591027 /nfs/dbraw/zinc/59/10/27/621591027.db2.gz KQKJLPWNTNOTPQ-GXTWGEPZSA-N 2 0 280.387 2.641 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C[NH3+] ZINC000904409911 621591075 /nfs/dbraw/zinc/59/10/75/621591075.db2.gz BAMPPHBWHUKTFM-DGCLKSJQSA-N 2 0 294.826 2.692 20 0 CFADRP CCCCn1nc(C)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1Cl ZINC000904409956 621591116 /nfs/dbraw/zinc/59/11/16/621591116.db2.gz KYUXMFLUYGBAPE-ZDUSSCGKSA-N 2 0 298.862 2.816 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC[C@@H]1C[NH3+] ZINC000904410350 621591801 /nfs/dbraw/zinc/59/18/01/621591801.db2.gz FIBHSUUHZMXANG-SDEBIZQBSA-N 2 0 280.362 2.895 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411551 621592309 /nfs/dbraw/zinc/59/23/09/621592309.db2.gz MEYBCGCIRVLPNP-UONOGXRCSA-N 2 0 262.397 2.502 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904411475 621592815 /nfs/dbraw/zinc/59/28/15/621592815.db2.gz KSTHBRIBLGIBTG-STQMWFEESA-N 2 0 250.361 2.551 20 0 CFADRP C[C@H]1C[N@H+](Cc2cscc2Cl)CC[C@H]1C[NH3+] ZINC000904412747 621593122 /nfs/dbraw/zinc/59/31/22/621593122.db2.gz YLRDSUQJFYGXRJ-UWVGGRQHSA-N 2 0 258.818 2.818 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904412440 621593175 /nfs/dbraw/zinc/59/31/75/621593175.db2.gz SHAJDECQDMBDAU-ZBFHGGJFSA-N 2 0 298.434 2.802 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412868 621593348 /nfs/dbraw/zinc/59/33/48/621593348.db2.gz YCAYBRWPWMWQOU-GOEBONIOSA-N 2 0 298.434 2.597 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000904432682 621595356 /nfs/dbraw/zinc/59/53/56/621595356.db2.gz FASQWPVUTNAXNW-YUELXQCFSA-N 2 0 293.480 2.704 20 0 CFADRP COc1ccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1O ZINC000904444992 621599285 /nfs/dbraw/zinc/59/92/85/621599285.db2.gz UUAAPMHLTAIFMO-UHFFFAOYSA-N 2 0 292.423 2.598 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000904473236 621601268 /nfs/dbraw/zinc/60/12/68/621601268.db2.gz QCJTYUCLHPYGOW-AEUSTVAISA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)([NH3+])c1ccc(NCc2ccc(C[NH3+])cc2)cc1 ZINC000904475496 621601956 /nfs/dbraw/zinc/60/19/56/621601956.db2.gz KNXGJRPDFPCOLD-UHFFFAOYSA-N 2 0 269.392 2.951 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4[NH2+]3)n2)CCCC1 ZINC000905305542 621746289 /nfs/dbraw/zinc/74/62/89/621746289.db2.gz NSGZJWPIKNLUQL-AVGNSLFASA-N 2 0 290.411 2.781 20 0 CFADRP C1C[NH2+][C@@H](c2noc([C@@H]3CCCCC34CC[NH2+]CC4)n2)C1 ZINC000905304272 621746519 /nfs/dbraw/zinc/74/65/19/621746519.db2.gz JWKJDDWTXMOMOY-QWHCGFSZSA-N 2 0 290.411 2.522 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000906509548 621995035 /nfs/dbraw/zinc/99/50/35/621995035.db2.gz IUOOEBAHXICQSM-UHFFFAOYSA-N 2 0 278.705 2.938 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC000906509257 621995134 /nfs/dbraw/zinc/99/51/34/621995134.db2.gz CTUALPASYPTCKX-UHFFFAOYSA-N 2 0 258.337 2.581 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC([NH3+])C1 ZINC000906509914 621995290 /nfs/dbraw/zinc/99/52/90/621995290.db2.gz BSKZFELSZBJBKM-UHFFFAOYSA-N 2 0 258.287 2.593 20 0 CFADRP CCCC[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000906529043 621998290 /nfs/dbraw/zinc/99/82/90/621998290.db2.gz BKGZDHXBGMRWEO-UHFFFAOYSA-N 2 0 276.424 2.533 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924844639 622662574 /nfs/dbraw/zinc/66/25/74/622662574.db2.gz WCUDAWJRSVSBMJ-AWEZNQCLSA-N 2 0 273.424 2.619 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000820815242 622764376 /nfs/dbraw/zinc/76/43/76/622764376.db2.gz QSBYWKLVAWEYSY-RDJZCZTQSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCO1 ZINC000820829619 622768879 /nfs/dbraw/zinc/76/88/79/622768879.db2.gz KPFPKHVPECBOHT-DAQHESOFSA-N 2 0 278.440 2.691 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)CC1CC[NH+](C)CC1 ZINC000151030798 622820955 /nfs/dbraw/zinc/82/09/55/622820955.db2.gz LABYAMGPKUYBCG-UHFFFAOYSA-N 2 0 296.842 2.992 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cs1 ZINC000226312177 623066305 /nfs/dbraw/zinc/06/63/05/623066305.db2.gz ZNDPXNIIGHDEGH-HUUCEWRRSA-N 2 0 273.405 2.728 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000226345954 623068407 /nfs/dbraw/zinc/06/84/07/623068407.db2.gz YRUIANHBSZUSOO-SNVBAGLBSA-N 2 0 258.818 2.676 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435290 623073707 /nfs/dbraw/zinc/07/37/07/623073707.db2.gz TZHUVYCQBQRUMS-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP O[C@@H](C[NH2+]CCC[NH+]1CCCC1)c1cccc2ccccc21 ZINC000834353448 625630758 /nfs/dbraw/zinc/63/07/58/625630758.db2.gz HVFMDZRCCFXXKC-IBGZPJMESA-N 2 0 298.430 2.949 20 0 CFADRP C[Si](C)(C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172578646 623290331 /nfs/dbraw/zinc/29/03/31/623290331.db2.gz JVQHWWBNQNISKB-CQSZACIVSA-N 2 0 254.494 2.814 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCSC(C)(C)CC2)CC[NH2+]1 ZINC000231053039 623321081 /nfs/dbraw/zinc/32/10/81/623321081.db2.gz DLZJPSASRDMCMJ-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197658 623332903 /nfs/dbraw/zinc/33/29/03/623332903.db2.gz BNVOPBPOAHHGDL-KRWDZBQOSA-N 2 0 274.408 2.659 20 0 CFADRP CC[C@H](CO)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000929485013 623445527 /nfs/dbraw/zinc/44/55/27/623445527.db2.gz BMLSWFCDGRWWIK-GOSISDBHSA-N 2 0 290.451 2.601 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000842471720 623473987 /nfs/dbraw/zinc/47/39/87/623473987.db2.gz VDWJPISKTTVXSV-KRWDZBQOSA-N 2 0 276.424 2.969 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000089146133 623573815 /nfs/dbraw/zinc/57/38/15/623573815.db2.gz KSUHFYMBZNSEJL-IUODEOHRSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000917011897 624299822 /nfs/dbraw/zinc/29/98/22/624299822.db2.gz ATHMRHRKGIRIKN-AEFFLSMTSA-N 2 0 288.435 2.589 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccns1 ZINC000925438537 624340703 /nfs/dbraw/zinc/34/07/03/624340703.db2.gz BVGVKHNBLAPELF-MJBXVCDLSA-N 2 0 297.468 2.683 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000829233748 624405902 /nfs/dbraw/zinc/40/59/02/624405902.db2.gz FTWKIGWUEBHSDS-NWDGAFQWSA-N 2 0 279.255 2.986 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@]3(C)CC3(Cl)Cl)C2)C1 ZINC000830027943 624602854 /nfs/dbraw/zinc/60/28/54/624602854.db2.gz CMXVUWHYJBTVSM-CHWSQXEVSA-N 2 0 291.266 2.988 20 0 CFADRP Cc1cc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc(N)[nH+]1 ZINC000919722809 624606529 /nfs/dbraw/zinc/60/65/29/624606529.db2.gz SJAHJXVVLHWNKS-HIFRSBDPSA-N 2 0 297.406 2.615 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000830170664 624654334 /nfs/dbraw/zinc/65/43/34/624654334.db2.gz NOLIYRPPQMJDDJ-BRWVUGGUSA-N 2 0 294.483 2.591 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2COc3ccccc3C2)C[C@@H]([NH3+])C1 ZINC000925475528 624654979 /nfs/dbraw/zinc/65/49/79/624654979.db2.gz VHTUUDJNINOOJC-BMFZPTHFSA-N 2 0 288.435 2.733 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2COc3ccccc3C2)C1 ZINC000925475529 624655813 /nfs/dbraw/zinc/65/58/13/624655813.db2.gz VHTUUDJNINOOJC-FVQBIDKESA-N 2 0 288.435 2.733 20 0 CFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000237562895 624963368 /nfs/dbraw/zinc/96/33/68/624963368.db2.gz VHYTYRLOYHLUJP-HOCLYGCPSA-N 2 0 292.423 2.605 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149649 625273691 /nfs/dbraw/zinc/27/36/91/625273691.db2.gz DOMPTORVXODXPR-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)nc1 ZINC000817970546 625967636 /nfs/dbraw/zinc/96/76/36/625967636.db2.gz ZQLAVPRZCHTBQV-DLOVCJGASA-N 2 0 298.228 2.765 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921517674 625967718 /nfs/dbraw/zinc/96/77/18/625967718.db2.gz DWMFJMPUTNOUDE-LZLYRXPVSA-N 2 0 294.483 2.902 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000921522195 625973356 /nfs/dbraw/zinc/97/33/56/625973356.db2.gz OISUGBQLZXRAIG-UONOGXRCSA-N 2 0 258.475 2.981 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](SC)C2)C1 ZINC000921546921 625984363 /nfs/dbraw/zinc/98/43/63/625984363.db2.gz JEJIPLDERUGCDC-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](CNCc1cnn(CC2CCC2)c1)C[NH+]1CCCC1 ZINC000921553790 625985651 /nfs/dbraw/zinc/98/56/51/625985651.db2.gz WWMLLHKNLZWTSW-OAHLLOKOSA-N 2 0 290.455 2.505 20 0 CFADRP O=c1cc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)cc[nH]1 ZINC000921744724 626104267 /nfs/dbraw/zinc/10/42/67/626104267.db2.gz XODSLSHBSCBLLQ-QGZVFWFLSA-N 2 0 297.402 2.541 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921783291 626121619 /nfs/dbraw/zinc/12/16/19/626121619.db2.gz AVXLTBMBEDXOMO-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000921784405 626122143 /nfs/dbraw/zinc/12/21/43/626122143.db2.gz PSCRJZRRRMORCN-UHFFFAOYSA-N 2 0 298.862 2.837 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922140048 626216081 /nfs/dbraw/zinc/21/60/81/626216081.db2.gz GURGZDMYANVOFW-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000922170582 626229877 /nfs/dbraw/zinc/22/98/77/626229877.db2.gz GOGNXIORBDEBIN-UHFFFAOYSA-N 2 0 279.428 2.936 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]Cc3ccc4c[nH+]cn4c3)ccc2O1 ZINC000922179734 626231917 /nfs/dbraw/zinc/23/19/17/626231917.db2.gz YSHMADMOAKFCAK-ZDUSSCGKSA-N 2 0 293.370 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000922181540 626232769 /nfs/dbraw/zinc/23/27/69/626232769.db2.gz UFFYWWQHTYTFBW-LLVKDONJSA-N 2 0 296.846 2.762 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922844263 626378842 /nfs/dbraw/zinc/37/88/42/626378842.db2.gz AUVASBLDDOSLRL-VUROTCPHSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)n1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000922846309 626379367 /nfs/dbraw/zinc/37/93/67/626379367.db2.gz BNQREEWSOVWNPE-UHFFFAOYSA-N 2 0 290.455 2.961 20 0 CFADRP CCCn1nccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847230 626379942 /nfs/dbraw/zinc/37/99/42/626379942.db2.gz XGUKTJLFURYXEV-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cscn2)CC1 ZINC000922847601 626380093 /nfs/dbraw/zinc/38/00/93/626380093.db2.gz BDIZJYPXIRLWRF-UHFFFAOYSA-N 2 0 265.426 2.640 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000922844879 626380679 /nfs/dbraw/zinc/38/06/79/626380679.db2.gz JGMHFHBCANCOQA-UHFFFAOYSA-N 2 0 273.424 2.887 20 0 CFADRP Fc1ccc(C[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923315590 626465309 /nfs/dbraw/zinc/46/53/09/626465309.db2.gz JGLSGZITNQSPRJ-OAHLLOKOSA-N 2 0 276.399 2.832 20 0 CFADRP CC(C)(C)[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316371 626465394 /nfs/dbraw/zinc/46/53/94/626465394.db2.gz UCYBLBYXSFAPSO-GJZGRUSLSA-N 2 0 280.456 2.513 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923309713 626465792 /nfs/dbraw/zinc/46/57/92/626465792.db2.gz NUELGSAZNOSSKL-AEFFLSMTSA-N 2 0 298.430 2.517 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000923324406 626466391 /nfs/dbraw/zinc/46/63/91/626466391.db2.gz GWZJJQZOMPGHOO-VGUREELVSA-N 3 0 293.499 2.712 20 0 CFADRP c1cc(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n[nH]1 ZINC000923324295 626466538 /nfs/dbraw/zinc/46/65/38/626466538.db2.gz SHRNFQLDKKAXFI-VHRNVKJDSA-N 2 0 288.439 2.510 20 0 CFADRP Clc1ccccc1O[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923370900 626469093 /nfs/dbraw/zinc/46/90/93/626469093.db2.gz KRVFYIZWKZHXKP-AWEZNQCLSA-N 2 0 294.826 2.935 20 0 CFADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)co1 ZINC000923362026 626469286 /nfs/dbraw/zinc/46/92/86/626469286.db2.gz KZEBENYYAXUQSU-KBPBESRZSA-N 2 0 291.439 2.794 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379258 626469470 /nfs/dbraw/zinc/46/94/70/626469470.db2.gz NZNQWVTZSWYOJW-HRCADAONSA-N 2 0 280.456 2.559 20 0 CFADRP O[C@@H](CC1CCCC1)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923386427 626470349 /nfs/dbraw/zinc/47/03/49/626470349.db2.gz GLHBVAXZAPOETP-MSOLQXFVSA-N 2 0 294.483 2.639 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000923389032 626470508 /nfs/dbraw/zinc/47/05/08/626470508.db2.gz RXRVYJBIXNDXRJ-UYSNPLJNSA-N 2 0 280.456 2.513 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923389002 626470567 /nfs/dbraw/zinc/47/05/67/626470567.db2.gz QVQCLEJPZMSKBS-HNNXBMFYSA-N 2 0 291.439 2.757 20 0 CFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(CN)CCCCC1 ZINC000923422098 626471488 /nfs/dbraw/zinc/47/14/88/626471488.db2.gz IVWNXAFGIOWLNG-MQVJKMGUSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1CCC3(CC3)CC1)CC2 ZINC000923443545 626473321 /nfs/dbraw/zinc/47/33/21/626473321.db2.gz STANGONCMYDQNV-MRXNPFEDSA-N 2 0 292.467 2.787 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCc1ccsc1)CC2 ZINC000923450727 626473922 /nfs/dbraw/zinc/47/39/22/626473922.db2.gz IADFWZSZQHCNFO-OAHLLOKOSA-N 2 0 294.464 2.511 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1C ZINC000923451104 626474150 /nfs/dbraw/zinc/47/41/50/626474150.db2.gz LWSJFDSWKMBGFI-KRWDZBQOSA-N 2 0 288.435 2.633 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CC1CCCCCC1)CC2 ZINC000923451659 626474159 /nfs/dbraw/zinc/47/41/59/626474159.db2.gz MWWWAKVOZWUDEU-MRXNPFEDSA-N 2 0 280.456 2.787 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000923480901 626476020 /nfs/dbraw/zinc/47/60/20/626476020.db2.gz MPULTJOMSUFKBK-WBMJQRKESA-N 2 0 262.372 2.874 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923487165 626476048 /nfs/dbraw/zinc/47/60/48/626476048.db2.gz ABUSIZIMKUVXCM-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1C[NH3+] ZINC000923495637 626476194 /nfs/dbraw/zinc/47/61/94/626476194.db2.gz DCHXOYXJVCIICK-OCCSQVGLSA-N 2 0 258.365 2.850 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000923483146 626476212 /nfs/dbraw/zinc/47/62/12/626476212.db2.gz MFNRGPHTXUYMBE-LLVKDONJSA-N 2 0 286.778 2.529 20 0 CFADRP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923489906 626476400 /nfs/dbraw/zinc/47/64/00/626476400.db2.gz ZHBNNUDHKGMWHM-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923496411 626476428 /nfs/dbraw/zinc/47/64/28/626476428.db2.gz IAUZGYOFTODYOL-AAEUAGOBSA-N 2 0 284.350 2.705 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC000923488774 626476447 /nfs/dbraw/zinc/47/64/47/626476447.db2.gz GSMJDZFOWCFMAE-NWDGAFQWSA-N 2 0 282.815 2.765 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923488372 626476459 /nfs/dbraw/zinc/47/64/59/626476459.db2.gz DUVALTSDTHFXGA-ZFWWWQNUSA-N 2 0 275.440 2.930 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC000923488093 626476563 /nfs/dbraw/zinc/47/65/63/626476563.db2.gz DFSKVSPHPCGFEZ-GDBMZVCRSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1C[NH3+] ZINC000923496419 626476578 /nfs/dbraw/zinc/47/65/78/626476578.db2.gz IBQZDWCJKFERJN-AAEUAGOBSA-N 2 0 284.350 2.705 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1F ZINC000923490422 626476583 /nfs/dbraw/zinc/47/65/83/626476583.db2.gz CIBRCAIVIIFMGG-NWDGAFQWSA-N 2 0 268.351 2.690 20 0 CFADRP C[C@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)CC[C@H]1C[NH3+] ZINC000923491101 626476785 /nfs/dbraw/zinc/47/67/85/626476785.db2.gz QUHMUHVRWZHCBQ-STQMWFEESA-N 2 0 291.439 2.606 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)CC[C@H]1C[NH3+] ZINC000923498600 626477070 /nfs/dbraw/zinc/47/70/70/626477070.db2.gz HTERUZGZCYWQBD-NEPJUHHUSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000923499099 626477213 /nfs/dbraw/zinc/47/72/13/626477213.db2.gz JQYLLVFHTNBXFD-KGLIPLIRSA-N 2 0 280.387 2.511 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923500782 626477308 /nfs/dbraw/zinc/47/73/08/626477308.db2.gz PBXZMGCVBIOYOW-RYUDHWBXSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@H]1C[N@H+](CCSc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923500953 626477630 /nfs/dbraw/zinc/47/76/30/626477630.db2.gz SLNZNLOGYFRGOV-UONOGXRCSA-N 2 0 264.438 2.695 20 0 CFADRP Cc1ccncc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506135 626477714 /nfs/dbraw/zinc/47/77/14/626477714.db2.gz HVUKZMPHHMMNAX-INIZCTEOSA-N 2 0 287.451 2.992 20 0 CFADRP C([C@H]1CCCCO1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505706 626477721 /nfs/dbraw/zinc/47/77/21/626477721.db2.gz DCRFLHRCYFBPOL-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H](c1cnccn1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506228 626477729 /nfs/dbraw/zinc/47/77/29/626477729.db2.gz GVSUDEKEQPCEPY-CABCVRRESA-N 2 0 288.439 2.639 20 0 CFADRP COC1CC(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000923507010 626477839 /nfs/dbraw/zinc/47/78/39/626477839.db2.gz MUAPORWTDAECJP-ISXOHVOVSA-N 2 0 280.456 2.513 20 0 CFADRP COC1CC(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000923507008 626477889 /nfs/dbraw/zinc/47/78/89/626477889.db2.gz MUAPORWTDAECJP-CKDBGZEDSA-N 2 0 280.456 2.513 20 0 CFADRP CCO[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC000923508841 626477965 /nfs/dbraw/zinc/47/79/65/626477965.db2.gz WZVWOXOFIYQUMV-CRAIPNDOSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923519541 626478403 /nfs/dbraw/zinc/47/84/03/626478403.db2.gz DWNXEXPMJMZNRW-DLBZAZTESA-N 2 0 258.409 2.851 20 0 CFADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH2+]C1 ZINC000923526943 626478611 /nfs/dbraw/zinc/47/86/11/626478611.db2.gz WGDTUZIGUUAZQW-WODVXLOZSA-N 2 0 276.346 2.791 20 0 CFADRP [NH3+]CCCCCCN1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000923542981 626479338 /nfs/dbraw/zinc/47/93/38/626479338.db2.gz KDLPPHOWGKUQFX-HNNXBMFYSA-N 2 0 275.440 2.533 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923549596 626479527 /nfs/dbraw/zinc/47/95/27/626479527.db2.gz MZYJSYGBZRPFJN-MRXNPFEDSA-N 2 0 268.445 2.644 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000923551329 626479539 /nfs/dbraw/zinc/47/95/39/626479539.db2.gz MVEZBOUQDLMTGU-LSDHHAIUSA-N 2 0 293.480 2.706 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CC3(CCC3)C2)C[C@@H](C)O1 ZINC000838917356 626513774 /nfs/dbraw/zinc/51/37/74/626513774.db2.gz MOQUUVDDSKXOES-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)no1 ZINC000838971858 626517655 /nfs/dbraw/zinc/51/76/55/626517655.db2.gz SQZSWVYEERTRNN-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc[nH]1 ZINC000838984647 626518502 /nfs/dbraw/zinc/51/85/02/626518502.db2.gz STBHLGAPPNXJQH-CYBMUJFWSA-N 2 0 270.380 2.729 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Cl)n1 ZINC000839183144 626529881 /nfs/dbraw/zinc/52/98/81/626529881.db2.gz UQFFNZWDSMJSDE-CYBMUJFWSA-N 2 0 281.831 2.865 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000839182232 626529935 /nfs/dbraw/zinc/52/99/35/626529935.db2.gz LTCLQYXGZNIRHA-CQSZACIVSA-N 2 0 250.386 2.718 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000757674432 626557551 /nfs/dbraw/zinc/55/75/51/626557551.db2.gz ULLXKNNQXCHGRS-SFHVURJKSA-N 2 0 290.451 2.930 20 0 CFADRP COC(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC000851750929 634511825 /nfs/dbraw/zinc/51/18/25/634511825.db2.gz LNTUDWYEHGAHBR-MRXNPFEDSA-N 2 0 298.471 2.583 20 0 CFADRP O[C@@H](CN1CCCC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000762634613 626927088 /nfs/dbraw/zinc/92/70/88/626927088.db2.gz QEGJHZKRXGTGOZ-QZTJIDSGSA-N 2 0 288.435 2.670 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000765428350 627137170 /nfs/dbraw/zinc/13/71/70/627137170.db2.gz RJAKBOZXLKMRMC-IRXDYDNUSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cnn(C)c1 ZINC000766512396 627206652 /nfs/dbraw/zinc/20/66/52/627206652.db2.gz KIOPTILEHWOGDB-ODIFPOPNSA-N 2 0 290.455 2.868 20 0 CFADRP C[C@@H](C[NH2+]C1CC(C(F)F)C1)C[NH+]1CCCCC1 ZINC000768676442 627363734 /nfs/dbraw/zinc/36/37/34/627363734.db2.gz CZSOVWXSXXEVSN-HIFPTAJRSA-N 2 0 260.372 2.742 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851884191 634571945 /nfs/dbraw/zinc/57/19/45/634571945.db2.gz BIZRNISJPCCLFM-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000769337626 627426582 /nfs/dbraw/zinc/42/65/82/627426582.db2.gz GKSDHMGJXLPLDX-QGZVFWFLSA-N 2 0 276.424 2.607 20 0 CFADRP COC1CC([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000769510743 627449977 /nfs/dbraw/zinc/44/99/77/627449977.db2.gz DNMZQVNXLBTIHJ-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP COc1ccc2c(NCC[N@H+](C)C3CC3)cc[nH+]c2c1 ZINC000774522170 627934843 /nfs/dbraw/zinc/93/48/43/627934843.db2.gz BNLCYRJLXZIZSZ-UHFFFAOYSA-N 2 0 271.364 2.750 20 0 CFADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000775023470 627985879 /nfs/dbraw/zinc/98/58/79/627985879.db2.gz KOLDENAGDDOMPK-UHFFFAOYSA-N 2 0 279.815 2.699 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000775622851 628046978 /nfs/dbraw/zinc/04/69/78/628046978.db2.gz JGCMCAXRSGWASB-AWEZNQCLSA-N 2 0 289.423 2.787 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)C1 ZINC000776161040 628108911 /nfs/dbraw/zinc/10/89/11/628108911.db2.gz SNGRWIVGQHYUJA-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CC[C@H](C)C1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000777128518 628202688 /nfs/dbraw/zinc/20/26/88/628202688.db2.gz BDEULFFOLFJWKH-STQMWFEESA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H](CCO)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000779405439 628378989 /nfs/dbraw/zinc/37/89/89/628378989.db2.gz AGOYQUGLNWTCIE-UIBIWLFHSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@H](CCO)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000779405438 628379313 /nfs/dbraw/zinc/37/93/13/628379313.db2.gz AGOYQUGLNWTCIE-HRCADAONSA-N 2 0 290.451 2.504 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1cccs1)C2 ZINC000852108745 634660744 /nfs/dbraw/zinc/66/07/44/634660744.db2.gz LYJXCOPAHGJJOL-HNNXBMFYSA-N 2 0 264.438 2.708 20 0 CFADRP C[C@@H](C1CC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000782194434 628613386 /nfs/dbraw/zinc/61/33/86/628613386.db2.gz YJUFHGDJOCQJRF-HNNXBMFYSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000783232094 628689815 /nfs/dbraw/zinc/68/98/15/628689815.db2.gz FCBNDEIFNDIPRZ-NXHRZFHOSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000783243818 628691909 /nfs/dbraw/zinc/69/19/09/628691909.db2.gz DUQUQLLQBYENHP-BBRMVZONSA-N 2 0 259.397 2.686 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000783290659 628697580 /nfs/dbraw/zinc/69/75/80/628697580.db2.gz CPSRCILVLKXVSM-ZTFGCOKTSA-N 2 0 288.435 2.531 20 0 CFADRP Cc1nc(F)ccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000785496691 628888412 /nfs/dbraw/zinc/88/84/12/628888412.db2.gz NXDHOFJHGHGEJO-UHFFFAOYSA-N 2 0 279.403 2.739 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC000788490193 629074522 /nfs/dbraw/zinc/07/45/22/629074522.db2.gz YKLPPONLDJOQDL-OAHLLOKOSA-N 2 0 298.434 2.865 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788672894 629090591 /nfs/dbraw/zinc/09/05/91/629090591.db2.gz SYMGPWLENVZYCQ-GJZGRUSLSA-N 2 0 291.439 2.806 20 0 CFADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000793521620 629559967 /nfs/dbraw/zinc/55/99/67/629559967.db2.gz CXJCBYZDKQEFBI-AWEZNQCLSA-N 2 0 286.423 2.641 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796792752 629968649 /nfs/dbraw/zinc/96/86/49/629968649.db2.gz ITEUTXWMLDYGPG-YESZJQIVSA-N 2 0 273.424 2.561 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925487656 634792986 /nfs/dbraw/zinc/79/29/86/634792986.db2.gz NFERGMNAHSRDCM-ZMSDIMECSA-N 2 0 289.467 2.846 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)C1CC[NH+](C)CC1 ZINC000800987111 630420743 /nfs/dbraw/zinc/42/07/43/630420743.db2.gz PTNWIKIDMPXAGX-RHSMWYFYSA-N 2 0 288.435 2.700 20 0 CFADRP CO[C@H](C[N@H+](C)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000852740365 634817792 /nfs/dbraw/zinc/81/77/92/634817792.db2.gz CJIHSXDEGWVDOM-UYSNPLJNSA-N 2 0 268.445 2.783 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)c1ccccc1 ZINC000808720479 631035891 /nfs/dbraw/zinc/03/58/91/631035891.db2.gz WGJWQPHAHIXSDY-RDTXWAMCSA-N 2 0 288.435 2.573 20 0 CFADRP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000840807749 631227226 /nfs/dbraw/zinc/22/72/26/631227226.db2.gz FQZVSRLBWMJXRR-GXTWGEPZSA-N 2 0 279.428 2.928 20 0 CFADRP Cc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(C)o1 ZINC000809727264 631273004 /nfs/dbraw/zinc/27/30/04/631273004.db2.gz HBCOUZQACGEQBQ-UHFFFAOYSA-N 2 0 295.471 2.602 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809737421 631275538 /nfs/dbraw/zinc/27/55/38/631275538.db2.gz HONMWTDFURRRGL-QAPCUYQASA-N 2 0 290.451 2.995 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000841004650 631302483 /nfs/dbraw/zinc/30/24/83/631302483.db2.gz WETDXJUHPAWGHH-GXTWGEPZSA-N 2 0 280.387 2.654 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cccnc2Cl)cc1 ZINC000841032099 631312226 /nfs/dbraw/zinc/31/22/26/631312226.db2.gz KOPPUUNQQUWEGM-UHFFFAOYSA-N 2 0 275.783 2.526 20 0 CFADRP Cc1ccc(CCC[NH2+]Cc2ccc(CC[NH3+])cc2)cn1 ZINC000841033457 631313822 /nfs/dbraw/zinc/31/38/22/631313822.db2.gz ODAPZEPLYZDWHO-UHFFFAOYSA-N 2 0 283.419 2.614 20 0 CFADRP CCCCn1nc(C)c(CNC[C@H]2CCC[NH2+]C2)c1Cl ZINC000841033358 631313997 /nfs/dbraw/zinc/31/39/97/631313997.db2.gz RMBCZGRPYHDAGR-ZDUSSCGKSA-N 2 0 298.862 2.734 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841035127 631314784 /nfs/dbraw/zinc/31/47/84/631314784.db2.gz YXLLXKUINMNDGJ-UHFFFAOYSA-N 2 0 286.423 2.563 20 0 CFADRP COc1cccc2cc(C[NH2+]CC[C@H]3CC[NH2+]C3)oc21 ZINC000841036444 631315072 /nfs/dbraw/zinc/31/50/72/631315072.db2.gz NSXKCSLADZJEIF-GFCCVEGCSA-N 2 0 274.364 2.531 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841049800 631321205 /nfs/dbraw/zinc/32/12/05/631321205.db2.gz HUOSVMPGHAUTOW-VIFPVBQESA-N 2 0 260.353 2.828 20 0 CFADRP C[C@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841059201 631326631 /nfs/dbraw/zinc/32/66/31/631326631.db2.gz MXLTXAKIWFDMDV-YJBOKZPZSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841064600 631327505 /nfs/dbraw/zinc/32/75/05/631327505.db2.gz ZMVMQVBFIVGODI-QAPCUYQASA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000841075404 631332315 /nfs/dbraw/zinc/33/23/15/631332315.db2.gz JALDLPAGXHSXRA-FVGKDHOHSA-N 2 0 291.464 2.627 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H](C)CCC[NH3+])cc1C ZINC000841079009 631332932 /nfs/dbraw/zinc/33/29/32/631332932.db2.gz HYSVOAMYXQBKMT-CYBMUJFWSA-N 2 0 250.386 2.529 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H](O)c1ccc(C)cc1 ZINC000842472925 631639641 /nfs/dbraw/zinc/63/96/41/631639641.db2.gz LFHVGRVNIOSXFY-SJLPKXTDSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000842472576 631639809 /nfs/dbraw/zinc/63/98/09/631639809.db2.gz FICJPYXEAFGZGT-MRXNPFEDSA-N 2 0 268.445 2.788 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000842474859 631640067 /nfs/dbraw/zinc/64/00/67/631640067.db2.gz ZPWHGPWILMLDKU-WMZOPIPTSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474102 631640696 /nfs/dbraw/zinc/64/06/96/631640696.db2.gz FDLXAHQJBHOMEJ-DLBZAZTESA-N 2 0 288.435 2.838 20 0 CFADRP Cn1nccc1[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000842478519 631641874 /nfs/dbraw/zinc/64/18/74/631641874.db2.gz KFSIOOWSZCGZGO-MRXNPFEDSA-N 2 0 278.444 2.856 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000842923640 631782918 /nfs/dbraw/zinc/78/29/18/631782918.db2.gz IXPDMGPWTAGCON-MXASKKJJSA-N 2 0 258.409 2.720 20 0 CFADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000843060575 631822962 /nfs/dbraw/zinc/82/29/62/631822962.db2.gz ZQUCXJQWGGOYFX-KBAYOESNSA-N 2 0 288.435 2.574 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000843105964 631836447 /nfs/dbraw/zinc/83/64/47/631836447.db2.gz IQGKLZYZHKXFOV-UHFFFAOYSA-N 2 0 284.407 2.745 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000843105124 631836758 /nfs/dbraw/zinc/83/67/58/631836758.db2.gz QOCYWAAHKWZOHE-LRVUVFPRSA-N 2 0 294.414 2.872 20 0 CFADRP CC(C)c1ncc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000843104918 631836771 /nfs/dbraw/zinc/83/67/71/631836771.db2.gz OOBBDSXSUCQORE-UHFFFAOYSA-N 2 0 253.415 2.626 20 0 CFADRP Cc1cc(C[NH2+]C2CCC([NH3+])CC2)cc2cccnc12 ZINC000843105564 631836916 /nfs/dbraw/zinc/83/69/16/631836916.db2.gz WJDFMCWJBPUTTE-UHFFFAOYSA-N 2 0 269.392 2.903 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000843125336 631842749 /nfs/dbraw/zinc/84/27/49/631842749.db2.gz SOJDROJYVIITIA-KGLIPLIRSA-N 2 0 279.815 2.557 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1COC2 ZINC000843124401 631842999 /nfs/dbraw/zinc/84/29/99/631842999.db2.gz AEMHKUMPQANDNN-JKSUJKDBSA-N 2 0 286.419 2.538 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000843127012 631846542 /nfs/dbraw/zinc/84/65/42/631846542.db2.gz LTBQRWMCPRDOQQ-UHFFFAOYSA-N 2 0 290.436 2.814 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCCC[NH3+])cc1 ZINC000843127688 631846746 /nfs/dbraw/zinc/84/67/46/631846746.db2.gz GERNGVAUYRMPCZ-UHFFFAOYSA-N 2 0 286.423 2.994 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126708 631846872 /nfs/dbraw/zinc/84/68/72/631846872.db2.gz VHIIHFINSASUFQ-CHWSQXEVSA-N 2 0 279.815 2.557 20 0 CFADRP [NH3+]CCCCCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000843127056 631847143 /nfs/dbraw/zinc/84/71/43/631847143.db2.gz MKEUXVVGVKETKQ-UHFFFAOYSA-N 2 0 268.445 2.835 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])oc21 ZINC000843128711 631848314 /nfs/dbraw/zinc/84/83/14/631848314.db2.gz KVTFMUAPALRRMT-WDEREUQCSA-N 2 0 262.353 2.657 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]([NH3+])C(C)C)no2)o1 ZINC000843147622 631859580 /nfs/dbraw/zinc/85/95/80/631859580.db2.gz CJDDWLLMQOZEIC-ZDUSSCGKSA-N 2 0 292.383 2.827 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCCCC[NH3+])cc1O ZINC000843343036 631932211 /nfs/dbraw/zinc/93/22/11/631932211.db2.gz WSPYJDLJOXQQPQ-LBPRGKRZSA-N 2 0 266.385 2.571 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)Cc2ccccc21 ZINC000843356413 631935112 /nfs/dbraw/zinc/93/51/12/631935112.db2.gz NWKLAGFHJFWLPD-CQSZACIVSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355305 631935455 /nfs/dbraw/zinc/93/54/55/631935455.db2.gz QOODLYSJSCLWGL-UHFFFAOYSA-N 2 0 299.418 2.861 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355875 631935533 /nfs/dbraw/zinc/93/55/33/631935533.db2.gz ZFWOGUVZJVPBRI-PRLABOORSA-N 2 0 268.445 2.783 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364831 631937927 /nfs/dbraw/zinc/93/79/27/631937927.db2.gz XVHPMOFVYANFRF-NSHDSACASA-N 2 0 277.239 2.646 20 0 CFADRP CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843377631 631941646 /nfs/dbraw/zinc/94/16/46/631941646.db2.gz GCYHTVPXQOKHRL-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP c1csc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000843385380 631942206 /nfs/dbraw/zinc/94/22/06/631942206.db2.gz GJFMXBJBSQBAFQ-AWEZNQCLSA-N 2 0 264.438 2.612 20 0 CFADRP Clc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000843387277 631942283 /nfs/dbraw/zinc/94/22/83/631942283.db2.gz GAOIDUNCPUAMIM-QWRGUYRKSA-N 2 0 285.844 2.618 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000843388461 631943397 /nfs/dbraw/zinc/94/33/97/631943397.db2.gz OHAANMHNRDRDMF-KGLIPLIRSA-N 2 0 279.815 2.557 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844196850 632132779 /nfs/dbraw/zinc/13/27/79/632132779.db2.gz ATHZXZRIJFUKCV-UHFFFAOYSA-N 2 0 289.423 2.611 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000844221544 632137892 /nfs/dbraw/zinc/13/78/92/632137892.db2.gz PSRVQPJUDRFONK-KRWDZBQOSA-N 3 0 281.488 2.703 20 0 CFADRP C(CC[NH2+]C1CCC2(CC1)OCCO2)CC[NH+]1CCCC1 ZINC000815647197 632304415 /nfs/dbraw/zinc/30/44/15/632304415.db2.gz BUVWSGOYXZLQSY-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)[C@@H]1CC[NH3+] ZINC000844900700 632330926 /nfs/dbraw/zinc/33/09/26/632330926.db2.gz CWIVVYWJAJWLBW-CXAGYDPISA-N 2 0 274.408 2.666 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@]1(F)Cl ZINC000844923566 632333067 /nfs/dbraw/zinc/33/30/67/632333067.db2.gz KQLYYNADUHLZGB-QNWHQSFQSA-N 2 0 262.800 2.798 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000844922147 632336937 /nfs/dbraw/zinc/33/69/37/632336937.db2.gz BAYPWHALQGQRHV-XQHKEYJVSA-N 2 0 262.800 2.669 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(-c2ccccc2)c1 ZINC000844922667 632338131 /nfs/dbraw/zinc/33/81/31/632338131.db2.gz OQJJUQIFWAKBSE-CQSZACIVSA-N 2 0 284.407 2.652 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844926999 632339483 /nfs/dbraw/zinc/33/94/83/632339483.db2.gz YGCIZNWAAKAOGN-WOPDTQHZSA-N 2 0 279.255 2.938 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccnc2Cl)CC1 ZINC000817416303 632626687 /nfs/dbraw/zinc/62/66/87/632626687.db2.gz ZZVAFYLRHJFKHE-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000846190374 632657173 /nfs/dbraw/zinc/65/71/73/632657173.db2.gz XKTJPSQQDAAHOE-OFLPRAFFSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000846218674 632664744 /nfs/dbraw/zinc/66/47/44/632664744.db2.gz QWDZWTKMFNQUKR-GFCCVEGCSA-N 2 0 282.350 2.549 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000846219213 632665904 /nfs/dbraw/zinc/66/59/04/632665904.db2.gz KPLAQYORBUZMJJ-QGZVFWFLSA-N 2 0 298.471 2.556 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000846219634 632666386 /nfs/dbraw/zinc/66/63/86/632666386.db2.gz UKJHPDZPLGVZMI-INIZCTEOSA-N 2 0 262.397 2.579 20 0 CFADRP Cc1nc2sccn2c1C[N@H+](C)CCCCCC[NH3+] ZINC000846221069 632666634 /nfs/dbraw/zinc/66/66/34/632666634.db2.gz RQNGJWHXMDLWBV-UHFFFAOYSA-N 2 0 280.441 2.655 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000846222492 632666955 /nfs/dbraw/zinc/66/69/55/632666955.db2.gz DPVWEDDYHFOOBZ-SJORKVTESA-N 2 0 275.440 2.541 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCCCC[NH3+])C2)CC1 ZINC000846222190 632667026 /nfs/dbraw/zinc/66/70/26/632667026.db2.gz SQJLYWCZXHYNEL-GOSISDBHSA-N 3 0 295.515 2.949 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CCCCCC[NH3+])C1 ZINC000846223092 632668343 /nfs/dbraw/zinc/66/83/43/632668343.db2.gz GPDAJERZYDXPIG-HNNXBMFYSA-N 2 0 256.434 2.644 20 0 CFADRP CC(C)[C@H]([NH2+]CCCCCC[NH3+])c1nc(C2CC2)no1 ZINC000846224399 632668985 /nfs/dbraw/zinc/66/89/85/632668985.db2.gz WKFLHEPKBBGGCO-ZDUSSCGKSA-N 2 0 280.416 2.753 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893281 632719890 /nfs/dbraw/zinc/71/98/90/632719890.db2.gz DGSITUWEORLUIZ-XEZPLFJOSA-N 2 0 278.440 2.733 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817898124 632721459 /nfs/dbraw/zinc/72/14/59/632721459.db2.gz DCDUELAPTHFVAQ-HIFRSBDPSA-N 2 0 280.387 2.702 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000817899177 632722776 /nfs/dbraw/zinc/72/27/76/632722776.db2.gz DTDRGEJIJCFBFZ-QWHCGFSZSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817899183 632723042 /nfs/dbraw/zinc/72/30/42/632723042.db2.gz DUGLAKPQFBSAPA-OTBWCIGPSA-N 3 0 279.472 2.514 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817899221 632723058 /nfs/dbraw/zinc/72/30/58/632723058.db2.gz FPVKNOTVMFEKTO-HEHGZKQESA-N 2 0 274.408 2.660 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000817899224 632723331 /nfs/dbraw/zinc/72/33/31/632723331.db2.gz FPVKNOTVMFEKTO-ZENOOKHLSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccccc1 ZINC000817901051 632723959 /nfs/dbraw/zinc/72/39/59/632723959.db2.gz RVWFIITYUILULR-RDJZCZTQSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900851 632724071 /nfs/dbraw/zinc/72/40/71/632724071.db2.gz PIYLAWSNCXIEES-GTPINHCMSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000817904556 632726995 /nfs/dbraw/zinc/72/69/95/632726995.db2.gz CWEUYQBKWMYNGW-RVBZMBCESA-N 2 0 291.222 2.742 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817905543 632728004 /nfs/dbraw/zinc/72/80/04/632728004.db2.gz OBFVQEROGVVVHX-DZUCGIPZSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817907687 632729164 /nfs/dbraw/zinc/72/91/64/632729164.db2.gz QPUJRSZVFDQNQP-WBVHZDCISA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000817913664 632730563 /nfs/dbraw/zinc/73/05/63/632730563.db2.gz QBEPYOXBDGBIDW-IJEWVQPXSA-N 2 0 296.480 2.856 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000817914378 632732107 /nfs/dbraw/zinc/73/21/07/632732107.db2.gz VOZONSURTHLOGH-FVQBIDKESA-N 2 0 296.480 2.856 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000817914913 632732366 /nfs/dbraw/zinc/73/23/66/632732366.db2.gz CHJAXESQWCTTNY-RBSFLKMASA-N 2 0 279.453 2.504 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000817922828 632735541 /nfs/dbraw/zinc/73/55/41/632735541.db2.gz MSFTUBHCVCQHAD-WQVCFCJDSA-N 2 0 296.842 2.655 20 0 CFADRP C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817922432 632736001 /nfs/dbraw/zinc/73/60/01/632736001.db2.gz FZODIAVMPMZCDL-VNCIIQTRSA-N 2 0 288.435 2.547 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817924367 632736772 /nfs/dbraw/zinc/73/67/72/632736772.db2.gz VGLMWTVHDWLJCO-PWSUYJOCSA-N 2 0 253.777 2.528 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)C1C[NH2+]C1 ZINC000817925432 632737577 /nfs/dbraw/zinc/73/75/77/632737577.db2.gz VSZCFMRBVAHYIT-LIRRHRJNSA-N 2 0 296.414 2.585 20 0 CFADRP CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1c[nH+]ccc1N)CCC2 ZINC000817925266 632737713 /nfs/dbraw/zinc/73/77/13/632737713.db2.gz UOHBAOHCPBSSJX-WBMJQRKESA-N 2 0 299.422 3.000 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817926793 632737723 /nfs/dbraw/zinc/73/77/23/632737723.db2.gz VXJZFPLZSAPFAH-BBWFWOEESA-N 2 0 286.350 2.594 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)C1C[NH2+]C1 ZINC000817925430 632738005 /nfs/dbraw/zinc/73/80/05/632738005.db2.gz VSZCFMRBVAHYIT-IFXJQAMLSA-N 2 0 296.414 2.585 20 0 CFADRP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)c1ccccc1 ZINC000817927243 632738820 /nfs/dbraw/zinc/73/88/20/632738820.db2.gz HXNBLVJBIRNPIX-ZFHLEULCSA-N 2 0 288.435 2.761 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)c1ccccc1 ZINC000817927383 632738876 /nfs/dbraw/zinc/73/88/76/632738876.db2.gz KCAKJPYACUQHKH-SYNTWQANSA-N 2 0 290.451 2.852 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000817929120 632738927 /nfs/dbraw/zinc/73/89/27/632738927.db2.gz DWMZQJATIOALNA-IMSIIYSGSA-N 2 0 252.789 2.523 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000817928112 632738978 /nfs/dbraw/zinc/73/89/78/632738978.db2.gz YFXRAINWHJDSTO-IINYFYTJSA-N 2 0 288.794 2.620 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000817929659 632739591 /nfs/dbraw/zinc/73/95/91/632739591.db2.gz KAMWRIUPHBLSPB-UHFFFAOYSA-N 2 0 267.804 2.651 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)Cc2ccccc2)c2ccccc21 ZINC000817929835 632739599 /nfs/dbraw/zinc/73/95/99/632739599.db2.gz LDHPFUFAFJNQIJ-KFKAGJAMSA-N 2 0 296.414 2.715 20 0 CFADRP C[C@@]1(C[NH2+]C2CCC(C[NH3+])CC2)CC1(Cl)Cl ZINC000817935292 632740716 /nfs/dbraw/zinc/74/07/16/632740716.db2.gz BLTCKYCARWUCAF-ILDUYXDCSA-N 2 0 265.228 2.677 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](O)c1ccccc1 ZINC000817932860 632741082 /nfs/dbraw/zinc/74/10/82/632741082.db2.gz XWHCXUBOXYKLPB-DUOKCRBOSA-N 2 0 282.387 2.843 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)o1 ZINC000817947777 632749411 /nfs/dbraw/zinc/74/94/11/632749411.db2.gz QRILRTJNBOBVKE-ZDUSSCGKSA-N 2 0 258.365 2.940 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817965495 632763724 /nfs/dbraw/zinc/76/37/24/632763724.db2.gz RTNHQLSUYGPCCW-VIFPVBQESA-N 2 0 272.364 2.871 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817965494 632764437 /nfs/dbraw/zinc/76/44/37/632764437.db2.gz RTNHQLSUYGPCCW-SECBINFHSA-N 2 0 272.364 2.871 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817968817 632767623 /nfs/dbraw/zinc/76/76/23/632767623.db2.gz MWUNDLFWHRYVNS-SJORKVTESA-N 2 0 260.425 2.985 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@H](C)[NH3+])ccc1OC ZINC000817971468 632771120 /nfs/dbraw/zinc/77/11/20/632771120.db2.gz DEQMSLKKEUKZKD-UONOGXRCSA-N 2 0 293.455 2.535 20 0 CFADRP COc1cccc2cc(CN3CC[C@H]([NH3+])C[C@H]3C)oc21 ZINC000846701563 632777522 /nfs/dbraw/zinc/77/75/22/632777522.db2.gz CJTDJOYTFRFEHC-YPMHNXCESA-N 2 0 274.364 2.753 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)n(C)n1 ZINC000817983069 632780171 /nfs/dbraw/zinc/78/01/71/632780171.db2.gz JUOMYYYARCJWEK-HOCLYGCPSA-N 2 0 286.423 2.859 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1OC ZINC000817982987 632780380 /nfs/dbraw/zinc/78/03/80/632780380.db2.gz XHPZPXDAOGWARG-ZENOOKHLSA-N 2 0 292.423 2.620 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)CCO2 ZINC000817984619 632781050 /nfs/dbraw/zinc/78/10/50/632781050.db2.gz VXBIFBBXRUGXBR-MRXNPFEDSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc2c(c1)CCO2 ZINC000817985993 632782362 /nfs/dbraw/zinc/78/23/62/632782362.db2.gz OYFVOUDPUWCQIB-XJKSGUPXSA-N 2 0 286.419 2.947 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccnc(Cl)c1)CC[NH2+]CC2 ZINC000818341034 632832764 /nfs/dbraw/zinc/83/27/64/632832764.db2.gz VJLTUZGWVUFHPU-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@@H]([NH3+])c1ccc(OCCCCCCC[NH3+])cc1 ZINC000818618071 632880987 /nfs/dbraw/zinc/88/09/87/632880987.db2.gz KOAKFKWHGSJRNW-CYBMUJFWSA-N 2 0 250.386 2.994 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000818984487 632921984 /nfs/dbraw/zinc/92/19/84/632921984.db2.gz IRZKZMSNFLFLMH-AEFFLSMTSA-N 2 0 290.451 2.738 20 0 CFADRP CCCC[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000819043705 632940135 /nfs/dbraw/zinc/94/01/35/632940135.db2.gz UNLDFKYONLQCOH-UHFFFAOYSA-N 2 0 268.445 2.536 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000819079440 632957247 /nfs/dbraw/zinc/95/72/47/632957247.db2.gz AEVUIKMZGBIIDP-CVEARBPZSA-N 2 0 296.430 2.815 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000819083003 632958296 /nfs/dbraw/zinc/95/82/96/632958296.db2.gz UCMDMBMMQMOIOA-SJORKVTESA-N 2 0 292.467 2.984 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000819101624 632964567 /nfs/dbraw/zinc/96/45/67/632964567.db2.gz CPSDQBVZOVXNLH-DOTOQJQBSA-N 2 0 292.467 2.903 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819182190 633001287 /nfs/dbraw/zinc/00/12/87/633001287.db2.gz KEOBEXCFVBHFBO-FUHWJXTLSA-N 2 0 290.451 2.678 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819186500 633006260 /nfs/dbraw/zinc/00/62/60/633006260.db2.gz YZUWPJIYXFPSTN-IMRCBTMISA-N 2 0 294.414 2.569 20 0 CFADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000819227793 633028454 /nfs/dbraw/zinc/02/84/54/633028454.db2.gz FCAXSQLKMDSSHU-WMLDXEAASA-N 2 0 294.414 2.713 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000819228634 633028499 /nfs/dbraw/zinc/02/84/99/633028499.db2.gz VLDJKDBPXAHXHR-KRWDZBQOSA-N 2 0 290.451 2.740 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1cccc(Cl)c1)C1CC1 ZINC000819360644 633111014 /nfs/dbraw/zinc/11/10/14/633111014.db2.gz DOIHHZWLYCAYKW-INIZCTEOSA-N 2 0 296.842 2.837 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000819366490 633132873 /nfs/dbraw/zinc/13/28/73/633132873.db2.gz QRRKGMMSTZZAAS-HOTGVXAUSA-N 2 0 270.461 2.639 20 0 CFADRP c1[nH]nc2cc(C[NH2+][C@H]3CCCN4CCCC[C@H]34)ccc12 ZINC000848574816 633293929 /nfs/dbraw/zinc/29/39/29/633293929.db2.gz IYDJLFFXRGMFEJ-DOTOQJQBSA-N 2 0 284.407 2.669 20 0 CFADRP Fc1cccc(F)c1CCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848599790 633297721 /nfs/dbraw/zinc/29/77/21/633297721.db2.gz QYTDIIFPCNJFHU-QGZVFWFLSA-N 2 0 294.389 2.973 20 0 CFADRP C[NH+](C)C1(CNC(=[NH2+])NC(C)(C)C)CCCCCC1 ZINC000848982260 633415541 /nfs/dbraw/zinc/41/55/41/633415541.db2.gz VCNXDQLFMPNINL-UHFFFAOYSA-N 2 0 268.449 2.553 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCCC[NH2+]C(C)(C)C)c1 ZINC000848994149 633421959 /nfs/dbraw/zinc/42/19/59/633421959.db2.gz XMSYRULZLKHSBV-UHFFFAOYSA-N 2 0 262.401 2.709 20 0 CFADRP COc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000848995509 633451127 /nfs/dbraw/zinc/45/11/27/633451127.db2.gz NMTVGEQRBFXCCS-CYBMUJFWSA-N 2 0 290.411 2.506 20 0 CFADRP CC(C)NC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997038 633451720 /nfs/dbraw/zinc/45/17/20/633451720.db2.gz JDRFRRNXUVOAIE-UHFFFAOYSA-N 2 0 268.449 2.555 20 0 CFADRP Cc1cccc(NC(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000849023126 633465248 /nfs/dbraw/zinc/46/52/48/633465248.db2.gz NUORDZCHTJXEKN-MRXNPFEDSA-N 2 0 286.423 2.948 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849025984 633467382 /nfs/dbraw/zinc/46/73/82/633467382.db2.gz HTFBQVXENUEKBA-ZFWWWQNUSA-N 2 0 280.460 2.696 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030020 633470087 /nfs/dbraw/zinc/47/00/87/633470087.db2.gz DGQGAUIHNZARFT-UONOGXRCSA-N 2 0 270.465 2.513 20 0 CFADRP [NH2+]=C(NCCCCC[NH+]1CCCC1)N1CCCCCC1 ZINC000849033729 633472461 /nfs/dbraw/zinc/47/24/61/633472461.db2.gz XLSPNLNIENGSKJ-UHFFFAOYSA-N 2 0 280.460 2.653 20 0 CFADRP COc1ccc(NC(=[NH2+])NCCCC[N@H+](C)C2CC2)cc1 ZINC000849039701 633476166 /nfs/dbraw/zinc/47/61/66/633476166.db2.gz NWGCRTGQRLPLSL-UHFFFAOYSA-N 2 0 290.411 2.506 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849049784 633480769 /nfs/dbraw/zinc/48/07/69/633480769.db2.gz RPMBRDSUNCFKET-SOUVJXGZSA-N 2 0 282.476 2.655 20 0 CFADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)CC(C)C ZINC000849054506 633481588 /nfs/dbraw/zinc/48/15/88/633481588.db2.gz KFLBUCYMPYYHQM-JKSUJKDBSA-N 2 0 296.503 2.999 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCCCCCC1 ZINC000849065657 633482991 /nfs/dbraw/zinc/48/29/91/633482991.db2.gz PICMFQRICMNPAI-MRXNPFEDSA-N 2 0 294.487 2.945 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849063717 633483236 /nfs/dbraw/zinc/48/32/36/633483236.db2.gz OVZSJKFDWSZOHN-HOTGVXAUSA-N 2 0 294.487 2.897 20 0 CFADRP Cc1ncc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)n1C ZINC000850340786 633945949 /nfs/dbraw/zinc/94/59/49/633945949.db2.gz ZZPASUVUKSDNGI-NEPJUHHUSA-N 2 0 259.756 2.523 20 0 CFADRP Clc1ncccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850419690 633984173 /nfs/dbraw/zinc/98/41/73/633984173.db2.gz GVJAXXPTLDPLHG-UHFFFAOYSA-N 2 0 293.842 2.947 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483817 634013576 /nfs/dbraw/zinc/01/35/76/634013576.db2.gz VDIHXXMNZIQAJR-ZWKOTPCHSA-N 2 0 294.483 2.902 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858162963 636144496 /nfs/dbraw/zinc/14/44/96/636144496.db2.gz STNWDGLJOLXTQB-DLBZAZTESA-N 2 0 290.451 2.745 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCC1SCCS1)CC[NH2+]CC2 ZINC000853022867 634879284 /nfs/dbraw/zinc/87/92/84/634879284.db2.gz GLNDGXNRPHIFGO-LBPRGKRZSA-N 2 0 286.510 2.647 20 0 CFADRP c1nn2ccccc2c1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093528 634901449 /nfs/dbraw/zinc/90/14/49/634901449.db2.gz MFXXKXCYRIOFNW-MRXNPFEDSA-N 2 0 298.434 2.546 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000854232273 635268250 /nfs/dbraw/zinc/26/82/50/635268250.db2.gz OTUHHHFONRLSJW-RWMBFGLXSA-N 2 0 262.397 2.788 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCc2cccs2)CC1 ZINC000113543311 635604939 /nfs/dbraw/zinc/60/49/39/635604939.db2.gz CPRHMEMKWMJAOD-UHFFFAOYSA-N 2 0 252.427 2.612 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925489371 635654271 /nfs/dbraw/zinc/65/42/71/635654271.db2.gz KLEJSMGOTJVGHE-HUUCEWRRSA-N 2 0 275.440 2.748 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C1 ZINC000925489831 635730556 /nfs/dbraw/zinc/73/05/56/635730556.db2.gz RSOVEIJBHOLPPV-HZPDHXFCSA-N 2 0 288.435 2.660 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857848520 636031457 /nfs/dbraw/zinc/03/14/57/636031457.db2.gz JTAAAQUDOJINTO-KGLIPLIRSA-N 2 0 287.411 2.688 20 0 CFADRP C[N@@H+]1CC[C@@H](Nc2c[nH+]ccc2-n2cccn2)CC1(C)C ZINC000858155484 636143172 /nfs/dbraw/zinc/14/31/72/636143172.db2.gz KCDFYKJGSIEDMM-CYBMUJFWSA-N 2 0 285.395 2.552 20 0 CFADRP CCc1ccc([C@H](CNc2cc[nH+]c(CO)c2)[NH+](C)C)cc1 ZINC000858316020 636185144 /nfs/dbraw/zinc/18/51/44/636185144.db2.gz HDDVTFZHFOQHSI-SFHVURJKSA-N 2 0 299.418 2.851 20 0 CFADRP OCc1cc(NCc2ccccc2C[NH+]2CCCC2)cc[nH+]1 ZINC000858327029 636191112 /nfs/dbraw/zinc/19/11/12/636191112.db2.gz JXBZOQISTVAZFX-UHFFFAOYSA-N 2 0 297.402 2.782 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CO2 ZINC000858462852 636254752 /nfs/dbraw/zinc/25/47/52/636254752.db2.gz QNPGYXWBIXOSNB-VIYLOZMYSA-N 2 0 286.419 2.513 20 0 CFADRP COc1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccn1 ZINC000859213579 636506760 /nfs/dbraw/zinc/50/67/60/636506760.db2.gz YJJJUSIPFHZGKY-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP CC[N@H+](CCOC(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000859996466 636757579 /nfs/dbraw/zinc/75/75/79/636757579.db2.gz BVNLRLPKIOWSJE-UHFFFAOYSA-N 2 0 286.366 2.809 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC000081632229 636796399 /nfs/dbraw/zinc/79/63/99/636796399.db2.gz QJKQZHXOLZYNTI-HNNXBMFYSA-N 2 0 278.465 2.954 20 0 CFADRP Cc1c(C[NH+]2CCC(CC[NH+](C)C)CC2)ccnc1F ZINC000862231743 637293245 /nfs/dbraw/zinc/29/32/45/637293245.db2.gz KQFGSTUMSNEDTJ-UHFFFAOYSA-N 2 0 279.403 2.693 20 0 CFADRP Cc1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccnc1F ZINC000862286417 637313590 /nfs/dbraw/zinc/31/35/90/637313590.db2.gz VTNZNODUXFOYTP-GOOCMWNKSA-N 2 0 277.387 2.634 20 0 CFADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862350349 637325549 /nfs/dbraw/zinc/32/55/49/637325549.db2.gz RJOILTUIFSUDSI-ZDUSSCGKSA-N 2 0 286.379 2.665 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccc(F)nc1 ZINC000189013116 650356235 /nfs/dbraw/zinc/35/62/35/650356235.db2.gz IOLLSPJIDPYIFF-UHFFFAOYSA-N 2 0 267.392 2.822 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000863543702 637690030 /nfs/dbraw/zinc/69/00/30/637690030.db2.gz WCWFVFFVVDPFNW-WISYIIOYSA-N 2 0 264.335 2.838 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000863548887 637693625 /nfs/dbraw/zinc/69/36/25/637693625.db2.gz UPDWELRGSHZLDK-YMTOWFKASA-N 2 0 250.773 2.525 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC[NH2+]C1 ZINC000863653790 637727393 /nfs/dbraw/zinc/72/73/93/637727393.db2.gz PPBYGIIFBUNXSJ-CABCVRRESA-N 2 0 264.800 2.917 20 0 CFADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC000863692325 637748203 /nfs/dbraw/zinc/74/82/03/637748203.db2.gz VOGWHCVPCFOSQN-GOSISDBHSA-N 2 0 284.403 2.668 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCCC2CC2)c1 ZINC000864457096 637987899 /nfs/dbraw/zinc/98/78/99/637987899.db2.gz QNIMRZSLHNBYFI-UHFFFAOYSA-N 2 0 288.439 2.552 20 0 CFADRP CCC(CC)NC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000864463131 637990940 /nfs/dbraw/zinc/99/09/40/637990940.db2.gz SNKZRHMOTLUNAV-ZDUSSCGKSA-N 2 0 268.449 2.553 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000925493679 638303034 /nfs/dbraw/zinc/30/30/34/638303034.db2.gz LOXCSDPZAVVXMU-HIFRSBDPSA-N 2 0 293.480 2.615 20 0 CFADRP C[NH+](C)[C@H](CNc1cc[nH+]cc1C(F)(F)F)c1ccco1 ZINC000865406395 638315156 /nfs/dbraw/zinc/31/51/56/638315156.db2.gz RWXTXRSZXLJQHZ-GFCCVEGCSA-N 2 0 299.296 2.830 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865414240 638319606 /nfs/dbraw/zinc/31/96/06/638319606.db2.gz ADVFRCRJXRFICP-HNNXBMFYSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865414241 638320381 /nfs/dbraw/zinc/32/03/81/638320381.db2.gz ADVFRCRJXRFICP-OAHLLOKOSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865416123 638321901 /nfs/dbraw/zinc/32/19/01/638321901.db2.gz UOSLRGVUUBYWCM-HNNXBMFYSA-N 2 0 290.455 2.962 20 0 CFADRP CC[NH+]1CCC(CNc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865462876 638352032 /nfs/dbraw/zinc/35/20/32/638352032.db2.gz CYVNFCGYWMKBHV-UHFFFAOYSA-N 2 0 287.329 2.666 20 0 CFADRP CCOc1cc(F)cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000865589178 638443112 /nfs/dbraw/zinc/44/31/12/638443112.db2.gz INSYUNXCHIPFBX-MQVJKMGUSA-N 2 0 292.398 2.939 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)CC1(C)C ZINC000865651589 638488208 /nfs/dbraw/zinc/48/82/08/638488208.db2.gz XOXFZXMNQJVKIO-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H]2CCSC2)CC1 ZINC000865717500 638533005 /nfs/dbraw/zinc/53/30/05/638533005.db2.gz ZUTGKXFOLULNNT-HNNXBMFYSA-N 2 0 270.486 2.840 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000866228472 638774592 /nfs/dbraw/zinc/77/45/92/638774592.db2.gz HPFXZDQBMNFUAH-NVXWUHKLSA-N 2 0 272.436 3.000 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000866241029 638778270 /nfs/dbraw/zinc/77/82/70/638778270.db2.gz UBXUQNUVQBUPRU-NVXWUHKLSA-N 2 0 275.440 2.724 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866259338 638782380 /nfs/dbraw/zinc/78/23/80/638782380.db2.gz LJOAOGDEYMUCQV-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000866313728 638795699 /nfs/dbraw/zinc/79/56/99/638795699.db2.gz GZVXZDOIKGAZMS-INIZCTEOSA-N 2 0 259.397 2.630 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000866369392 638806979 /nfs/dbraw/zinc/80/69/79/638806979.db2.gz LBTPXPCTYOTPTC-OAHLLOKOSA-N 2 0 275.440 2.867 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866380630 638810072 /nfs/dbraw/zinc/81/00/72/638810072.db2.gz BRFZVHHHORXKQM-MRXNPFEDSA-N 2 0 277.456 2.970 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866380629 638810086 /nfs/dbraw/zinc/81/00/86/638810086.db2.gz BRFZVHHHORXKQM-INIZCTEOSA-N 2 0 277.456 2.970 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866396714 638814047 /nfs/dbraw/zinc/81/40/47/638814047.db2.gz BVYXUQUQBGTSAA-OIISXLGYSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cnccn2)CC1 ZINC000866467623 638826378 /nfs/dbraw/zinc/82/63/78/638826378.db2.gz MCXUQWPDGGECMP-CQSZACIVSA-N 2 0 276.428 2.638 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000866469915 638826542 /nfs/dbraw/zinc/82/65/42/638826542.db2.gz PWCKPTZLPDTJKK-INIZCTEOSA-N 2 0 290.455 2.818 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccnn2C)CC1 ZINC000866469971 638826570 /nfs/dbraw/zinc/82/65/70/638826570.db2.gz QRKSYACRSRMERQ-CQSZACIVSA-N 2 0 278.444 2.581 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)[C@@H](C)C1 ZINC000866517041 638834436 /nfs/dbraw/zinc/83/44/36/638834436.db2.gz VGISFCQFJYVOLQ-SOEBMCCKSA-N 3 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000866540442 638838865 /nfs/dbraw/zinc/83/88/65/638838865.db2.gz ZOKHIJHJDZRQJS-ATIWLJMLSA-N 2 0 292.467 2.512 20 0 CFADRP C[C@@H]1C[C@H](NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1C ZINC000866561793 638845064 /nfs/dbraw/zinc/84/50/64/638845064.db2.gz LGJMVARNKNMUSZ-JFIYKMOQSA-N 2 0 293.499 2.856 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000866563001 638845720 /nfs/dbraw/zinc/84/57/20/638845720.db2.gz IKSWXQJUYFSELW-YRXWBPOGSA-N 2 0 299.462 2.636 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)OC1 ZINC000866665191 638862864 /nfs/dbraw/zinc/86/28/64/638862864.db2.gz DUDGTNVOCIVUPQ-YESZJQIVSA-N 2 0 294.483 2.903 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)OC1 ZINC000866666722 638863040 /nfs/dbraw/zinc/86/30/40/638863040.db2.gz VYTVITZVDFRGRD-ARFHVFGLSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)OC1 ZINC000866669107 638863549 /nfs/dbraw/zinc/86/35/49/638863549.db2.gz PTHUQAFXMIQRAN-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP CC1(C)CC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)OC1 ZINC000866668672 638863626 /nfs/dbraw/zinc/86/36/26/638863626.db2.gz HSZCWCKUUKIHKV-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCC2CC2)C1 ZINC000866668285 638863716 /nfs/dbraw/zinc/86/37/16/638863716.db2.gz BEIBQUSLFLRCOP-OWCLPIDISA-N 2 0 266.429 2.537 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)OC1 ZINC000866669106 638863739 /nfs/dbraw/zinc/86/37/39/638863739.db2.gz PTHUQAFXMIQRAN-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCc2cccs2)C1 ZINC000866708157 638868748 /nfs/dbraw/zinc/86/87/48/638868748.db2.gz XXLZITGCMUSPAB-OAHLLOKOSA-N 2 0 266.454 2.988 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709027 638868761 /nfs/dbraw/zinc/86/87/61/638868761.db2.gz UXTXHEQNCMUMNS-SFHVURJKSA-N 2 0 289.467 2.950 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866708067 638869203 /nfs/dbraw/zinc/86/92/03/638869203.db2.gz PMXPFZQELJAEEJ-QGZVFWFLSA-N 2 0 276.424 2.892 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc2cc[nH]c2c1 ZINC000866717409 638870010 /nfs/dbraw/zinc/87/00/10/638870010.db2.gz DRFKNZWTPZQYSD-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)CC1CC[NH2+]CC1 ZINC000866718174 638870030 /nfs/dbraw/zinc/87/00/30/638870030.db2.gz YJQQFHAFGPIKKZ-UHFFFAOYSA-N 2 0 257.381 2.599 20 0 CFADRP Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000866719944 638870156 /nfs/dbraw/zinc/87/01/56/638870156.db2.gz FBOFBSJQTXVQEM-ZBFHGGJFSA-N 2 0 259.397 2.527 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000866727505 638871882 /nfs/dbraw/zinc/87/18/82/638871882.db2.gz MTFCNNLYCDLERE-UHFFFAOYSA-N 2 0 280.387 2.929 20 0 CFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)CC ZINC000872020818 641552083 /nfs/dbraw/zinc/55/20/83/641552083.db2.gz KPWFVOYNHRCNIW-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000872030730 641560811 /nfs/dbraw/zinc/56/08/11/641560811.db2.gz BEQFUTBBQRKTDD-YESZJQIVSA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872033070 641563090 /nfs/dbraw/zinc/56/30/90/641563090.db2.gz DWGIHKISDXDYHP-LBPRGKRZSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCCOC1 ZINC000872034913 641565366 /nfs/dbraw/zinc/56/53/66/641565366.db2.gz RRSPQKAIBKFGQS-BBWFWOEESA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCOC1 ZINC000872087150 641621287 /nfs/dbraw/zinc/62/12/87/641621287.db2.gz GKRTUUVPTHADPL-BZSNNMDCSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000872114834 641645594 /nfs/dbraw/zinc/64/55/94/641645594.db2.gz CMZHCNCWELKFBQ-CQSZACIVSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC(C)C)CCC2)[C@H](C)C1 ZINC000872116362 641647284 /nfs/dbraw/zinc/64/72/84/641647284.db2.gz KSWDUJWLYAWLDC-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000872132604 641660231 /nfs/dbraw/zinc/66/02/31/641660231.db2.gz IQMVPDKRIHTLIY-JLSDUUJJSA-N 2 0 290.451 2.819 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000872132605 641660445 /nfs/dbraw/zinc/66/04/45/641660445.db2.gz IQMVPDKRIHTLIY-WBAXXEDZSA-N 2 0 290.451 2.819 20 0 CFADRP Clc1ncsc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000872143843 641670715 /nfs/dbraw/zinc/67/07/15/641670715.db2.gz YKPDTIFBWLQBOP-NSHDSACASA-N 2 0 285.844 2.618 20 0 CFADRP Cc1cccc2nc(C[N@H+](C)CCCCCC[NH3+])cn21 ZINC000872155498 641675075 /nfs/dbraw/zinc/67/50/75/641675075.db2.gz MXIDFPOUKDWKFM-UHFFFAOYSA-N 2 0 274.412 2.594 20 0 CFADRP CCc1ccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])cc1 ZINC000872155073 641675527 /nfs/dbraw/zinc/67/55/27/641675527.db2.gz KZXGIILWXIUZTO-UHFFFAOYSA-N 2 0 291.439 2.638 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCCF)C1)C1CCCC1 ZINC000872156460 641677186 /nfs/dbraw/zinc/67/71/86/641677186.db2.gz JYWIGYFDCVBAKN-HIFRSBDPSA-N 2 0 256.409 2.966 20 0 CFADRP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158424 641678916 /nfs/dbraw/zinc/67/89/16/641678916.db2.gz VADLYUSDTVBOFR-LZWOXQAQSA-N 2 0 296.455 2.558 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253001 641719476 /nfs/dbraw/zinc/71/94/76/641719476.db2.gz YAAHAORZMDVDII-DLBZAZTESA-N 2 0 290.451 2.612 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@@H]21 ZINC000872484540 641828219 /nfs/dbraw/zinc/82/82/19/641828219.db2.gz FYUBJEWUDGRTML-ZBFHGGJFSA-N 2 0 271.408 2.880 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873205293 642065162 /nfs/dbraw/zinc/06/51/62/642065162.db2.gz MAEYMFQPLHDSBP-CYBMUJFWSA-N 2 0 294.464 2.642 20 0 CFADRP COC1CCC([N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873204758 642066159 /nfs/dbraw/zinc/06/61/59/642066159.db2.gz GJOCCTFWENHWHK-UHFFFAOYSA-N 2 0 294.464 2.783 20 0 CFADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208789 642067750 /nfs/dbraw/zinc/06/77/50/642067750.db2.gz VAEPYVXYNHQIQQ-TZMCWYRMSA-N 2 0 294.464 2.519 20 0 CFADRP CC(C)C(C)(C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206384 642067985 /nfs/dbraw/zinc/06/79/85/642067985.db2.gz BEMDJDSZYAKOTH-UHFFFAOYSA-N 2 0 252.427 2.918 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873219638 642072738 /nfs/dbraw/zinc/07/27/38/642072738.db2.gz BKSCWCPOOAXKPO-WMLDXEAASA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C1CC[NH2+]CC1 ZINC000873221281 642073719 /nfs/dbraw/zinc/07/37/19/642073719.db2.gz OKEZOQLDNVADKJ-SECBINFHSA-N 2 0 272.314 2.582 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C1CC[NH2+]CC1 ZINC000873220274 642074404 /nfs/dbraw/zinc/07/44/04/642074404.db2.gz ICMPBYNXUUNYAN-SNVBAGLBSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)s1)C1CC[NH2+]CC1 ZINC000873220922 642074437 /nfs/dbraw/zinc/07/44/37/642074437.db2.gz WWLKOAVRHGKFQV-MRVPVSSYSA-N 2 0 293.358 2.640 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2cnccc2c1)C1CC[NH2+]CC1 ZINC000873220686 642074476 /nfs/dbraw/zinc/07/44/76/642074476.db2.gz RGZPVLGQFYXVNF-CYBMUJFWSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)C1CC[NH2+]CC1 ZINC000873222314 642075246 /nfs/dbraw/zinc/07/52/46/642075246.db2.gz MDUVLTZIQZDBBC-AWEZNQCLSA-N 2 0 296.418 2.621 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221615 642075369 /nfs/dbraw/zinc/07/53/69/642075369.db2.gz LTGCXJQTIASRHP-CQSZACIVSA-N 2 0 298.434 2.863 20 0 CFADRP C[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000873222747 642076732 /nfs/dbraw/zinc/07/67/32/642076732.db2.gz BVRCZPROESCTGX-ZDUSSCGKSA-N 2 0 284.407 2.554 20 0 CFADRP CC[C@H]1CCC[C@@H](C[NH2+]C2(CCOC)CC[NH2+]CC2)C1 ZINC000873225178 642078161 /nfs/dbraw/zinc/07/81/61/642078161.db2.gz SIIGQCKPGDHKES-JKSUJKDBSA-N 2 0 282.472 2.951 20 0 CFADRP COCCC1([NH2+]CC[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000873224862 642078345 /nfs/dbraw/zinc/07/83/45/642078345.db2.gz INEOMUNFNVKNIL-MRXNPFEDSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000873227507 642079335 /nfs/dbraw/zinc/07/93/35/642079335.db2.gz KTMYOXJZCQDBAJ-IAGOWNOFSA-N 3 0 293.499 2.715 20 0 CFADRP CC(C)n1nccc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232241 642085312 /nfs/dbraw/zinc/08/53/12/642085312.db2.gz CXOUTHRZDSLNBT-INIZCTEOSA-N 2 0 290.455 2.866 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232687 642086272 /nfs/dbraw/zinc/08/62/72/642086272.db2.gz WRTPCASTVYSOTB-JQHSSLGASA-N 2 0 293.499 2.606 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232453 642087040 /nfs/dbraw/zinc/08/70/40/642087040.db2.gz QEEAULPYPSEKHP-DOTOQJQBSA-N 3 0 295.515 2.994 20 0 CFADRP c1nc2ccccn2c1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232874 642087063 /nfs/dbraw/zinc/08/70/63/642087063.db2.gz PJSCZXKMOXAYKK-MRXNPFEDSA-N 2 0 298.434 2.736 20 0 CFADRP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232739 642087171 /nfs/dbraw/zinc/08/71/71/642087171.db2.gz YYMRTSWMSFYXFO-GOEBONIOSA-N 2 0 290.455 2.838 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCCN(Cc2csnn2)C1)C1CCCC1 ZINC000873232671 642087203 /nfs/dbraw/zinc/08/72/03/642087203.db2.gz VNFAFTFQCTVNJM-WFASDCNBSA-N 2 0 294.468 2.658 20 0 CFADRP C([NH2+][C@@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCSC1 ZINC000873232788 642087360 /nfs/dbraw/zinc/08/73/60/642087360.db2.gz LRZQCNBEVPQAHG-UONOGXRCSA-N 2 0 268.470 2.642 20 0 CFADRP CC(C)n1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873232869 642087367 /nfs/dbraw/zinc/08/73/67/642087367.db2.gz PBJAQXDTHSRHSE-INIZCTEOSA-N 2 0 290.455 2.866 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCSC1 ZINC000873235765 642088602 /nfs/dbraw/zinc/08/86/02/642088602.db2.gz QBRKZMCUFMVMMA-NUEKZKHPSA-N 2 0 278.465 2.678 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000873235804 642088645 /nfs/dbraw/zinc/08/86/45/642088645.db2.gz RDXRXFCEOBNGNA-AAEUAGOBSA-N 2 0 279.453 2.643 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873249304 642095223 /nfs/dbraw/zinc/09/52/23/642095223.db2.gz KNKHEGXNTIIDBU-OMNBBPDLSA-N 2 0 292.398 2.620 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000873249629 642095532 /nfs/dbraw/zinc/09/55/32/642095532.db2.gz BTDQQPVEQBCPDV-OAUYIBNBSA-N 2 0 285.366 2.637 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248913 642095573 /nfs/dbraw/zinc/09/55/73/642095573.db2.gz GYZRDVLNERRUBV-BZPMIXESSA-N 2 0 258.365 2.691 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1C ZINC000873249444 642095676 /nfs/dbraw/zinc/09/56/76/642095676.db2.gz AAUCXWAMDGTSRS-MELADBBJSA-N 2 0 262.397 2.700 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873250493 642096881 /nfs/dbraw/zinc/09/68/81/642096881.db2.gz GCAJIYHENQYXHQ-GHMZBOCLSA-N 2 0 284.391 2.779 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CCCO2 ZINC000873251240 642098249 /nfs/dbraw/zinc/09/82/49/642098249.db2.gz KQDPAXTVFFEAMH-IJEWVQPXSA-N 2 0 274.408 2.844 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000873253055 642099171 /nfs/dbraw/zinc/09/91/71/642099171.db2.gz YMYGYHTUPAAWSF-DQCOHUIHSA-N 3 0 299.462 2.509 20 0 CFADRP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000873252601 642099229 /nfs/dbraw/zinc/09/92/29/642099229.db2.gz SYZLAAWJMJDKLS-MXWKQRLJSA-N 2 0 253.415 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000873254440 642099557 /nfs/dbraw/zinc/09/95/57/642099557.db2.gz UBJMZGSKDKWOCH-ATZCPNFKSA-N 2 0 256.752 2.867 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000873253831 642099837 /nfs/dbraw/zinc/09/98/37/642099837.db2.gz FTUNOZOQTKCZBZ-JBLDHEPKSA-N 2 0 268.401 2.936 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000873253797 642100128 /nfs/dbraw/zinc/10/01/28/642100128.db2.gz FIBZHNOSQLAFLA-FOGDFJRCSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000873255007 642100676 /nfs/dbraw/zinc/10/06/76/642100676.db2.gz CSMLUOXZTBOULG-ATZCPNFKSA-N 2 0 256.752 2.867 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000873255063 642100736 /nfs/dbraw/zinc/10/07/36/642100736.db2.gz FAMIBGTVGRUQDJ-FOGDFJRCSA-N 2 0 270.323 2.676 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255184 642100919 /nfs/dbraw/zinc/10/09/19/642100919.db2.gz CWFFALNBFPODNF-KLHDSHLOSA-N 2 0 273.424 2.743 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255242 642101011 /nfs/dbraw/zinc/10/10/11/642101011.db2.gz FGGGZMZUZMGYMX-DARAHFNDSA-N 2 0 274.408 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000873256359 642101674 /nfs/dbraw/zinc/10/16/74/642101674.db2.gz OAJVZCFQROCKSO-CKYFFXLPSA-N 2 0 261.394 2.684 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000873255765 642101865 /nfs/dbraw/zinc/10/18/65/642101865.db2.gz JXQIVFCKZQJDJQ-DDWPSWQVSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000873255903 642101877 /nfs/dbraw/zinc/10/18/77/642101877.db2.gz KECNWTVBYYQIRX-AEGPPILISA-N 2 0 284.407 2.569 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000873255716 642101959 /nfs/dbraw/zinc/10/19/59/642101959.db2.gz ISSUMKCWGTVPML-GPCCPHFNSA-N 2 0 295.224 2.763 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256443 642102494 /nfs/dbraw/zinc/10/24/94/642102494.db2.gz MOSMOKOAFFCMEE-ULQDDVLXSA-N 2 0 276.424 2.555 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000873257801 642103381 /nfs/dbraw/zinc/10/33/81/642103381.db2.gz KNNJGYOJWVNGAN-NOLJZWGESA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257636 642103468 /nfs/dbraw/zinc/10/34/68/642103468.db2.gz URWCAGIWTCRYKM-BRWVUGGUSA-N 2 0 260.425 2.971 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000873259507 642104401 /nfs/dbraw/zinc/10/44/01/642104401.db2.gz GBLWENGEPDPDTD-WTDIUWLJSA-N 2 0 279.453 2.941 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260145 642105319 /nfs/dbraw/zinc/10/53/19/642105319.db2.gz UBADCBOEEXYXIX-HVDRQEDPSA-N 2 0 274.383 2.933 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000873263790 642107197 /nfs/dbraw/zinc/10/71/97/642107197.db2.gz KFZNTIJBRWGIGT-JJTUDDRGSA-N 2 0 292.467 2.844 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264978 642107902 /nfs/dbraw/zinc/10/79/02/642107902.db2.gz SBXXWGNWCXQXEW-UGQVUOCMSA-N 2 0 276.399 2.877 20 0 CFADRP C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)C1CC[NH2+]CC1 ZINC000873267470 642110296 /nfs/dbraw/zinc/11/02/96/642110296.db2.gz DDXYZUOGUCRNDX-XNJGSVPQSA-N 2 0 258.409 2.898 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269691 642111624 /nfs/dbraw/zinc/11/16/24/642111624.db2.gz SDENEJCKKGGERJ-CPUCHLNUSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]([NH2+][C@H]1CSCCc2ccccc21)C1CC[NH2+]CC1 ZINC000873272649 642113506 /nfs/dbraw/zinc/11/35/06/642113506.db2.gz VYUVKVFDXWBAFX-GUYCJALGSA-N 2 0 290.476 2.995 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cn1 ZINC000873271912 642113653 /nfs/dbraw/zinc/11/36/53/642113653.db2.gz MDSJCDUSVVWXMR-QWHCGFSZSA-N 2 0 264.417 2.503 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272721 642113682 /nfs/dbraw/zinc/11/36/82/642113682.db2.gz AXHJMOPMQPKTES-UKKRHICBSA-N 2 0 250.308 2.599 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000873283169 642117956 /nfs/dbraw/zinc/11/79/56/642117956.db2.gz ZSIZGEPTVBGHSY-DTWKUNHWSA-N 2 0 264.316 2.736 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288880 642122462 /nfs/dbraw/zinc/12/24/62/642122462.db2.gz BXARGZQGIYWDPP-CVEARBPZSA-N 2 0 288.435 2.804 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290657 642122756 /nfs/dbraw/zinc/12/27/56/642122756.db2.gz FMUSVQXDSKKCEJ-HRCADAONSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290983 642122858 /nfs/dbraw/zinc/12/28/58/642122858.db2.gz HOTSVLVVIBHKHT-BZUAXINKSA-N 2 0 294.483 2.950 20 0 CFADRP C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290271 642123185 /nfs/dbraw/zinc/12/31/85/642123185.db2.gz CCOKHSFUCCCQKM-YESZJQIVSA-N 2 0 292.467 2.704 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873292125 642123641 /nfs/dbraw/zinc/12/36/41/642123641.db2.gz ZXFFRPMTFMFQRE-KBPBESRZSA-N 2 0 294.464 2.866 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291608 642123698 /nfs/dbraw/zinc/12/36/98/642123698.db2.gz LKCKSPCSNJTNBG-YESZJQIVSA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c(C)o1 ZINC000873291927 642124148 /nfs/dbraw/zinc/12/41/48/642124148.db2.gz OBDGSVXPNJLIGE-UKRRQHHQSA-N 2 0 292.423 2.706 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873293836 642124471 /nfs/dbraw/zinc/12/44/71/642124471.db2.gz PVYQMBUUXUMFPV-SJORKVTESA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000873293415 642124754 /nfs/dbraw/zinc/12/47/54/642124754.db2.gz MBYVHDVLUOHDEF-QXSJWSMHSA-N 2 0 280.456 2.559 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294578 642125777 /nfs/dbraw/zinc/12/57/77/642125777.db2.gz WWSDSACKFLSAJO-HRCADAONSA-N 2 0 298.446 2.653 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000873294897 642125833 /nfs/dbraw/zinc/12/58/33/642125833.db2.gz VRMAANQYKLKLSN-UKRRQHHQSA-N 2 0 294.464 2.866 20 0 CFADRP C[C@@H](NC1CC(Nc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000873295932 642126484 /nfs/dbraw/zinc/12/64/84/642126484.db2.gz SPPSNILHRJDAJK-LHUBUQBQSA-N 2 0 273.424 2.750 20 0 CFADRP CC(C)[NH+]1CCC(NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000019912913 642203029 /nfs/dbraw/zinc/20/30/29/642203029.db2.gz LZBBAEGDDBLYKX-MRXNPFEDSA-N 3 0 281.488 2.713 20 0 CFADRP CN(C)c1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000876690569 642975422 /nfs/dbraw/zinc/97/54/22/642975422.db2.gz NGSRDYLDYWLYSN-UHFFFAOYSA-N 2 0 293.430 2.665 20 0 CFADRP C[NH+](C)CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876887039 643051818 /nfs/dbraw/zinc/05/18/18/643051818.db2.gz HZYGQLYHSLTNNB-UHFFFAOYSA-N 2 0 283.828 2.991 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000088204440 650809559 /nfs/dbraw/zinc/80/95/59/650809559.db2.gz SMRAHRNYMXDVTE-CRAIPNDOSA-N 2 0 290.451 2.948 20 0 CFADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000877020915 643107077 /nfs/dbraw/zinc/10/70/77/643107077.db2.gz ITDBCMBBRXUGGC-ORAYPTAESA-N 2 0 290.388 2.641 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877073973 643136735 /nfs/dbraw/zinc/13/67/35/643136735.db2.gz WSQMWQCJWSCVGV-GMTAPVOTSA-N 2 0 265.228 2.643 20 0 CFADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1 ZINC000877137720 643172064 /nfs/dbraw/zinc/17/20/64/643172064.db2.gz HGGSCHLNMJJCKP-MZPVMMEZSA-N 2 0 295.386 2.773 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC3CCSCC3)C2)CC1 ZINC000877495818 643308772 /nfs/dbraw/zinc/30/87/72/643308772.db2.gz GSXHUOCXHGCTBQ-UHFFFAOYSA-N 2 0 282.497 2.937 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC[C@@H]2CCO2)cc1 ZINC000877525277 643329310 /nfs/dbraw/zinc/32/93/10/643329310.db2.gz XUJYHKAQSOLDAL-QGZVFWFLSA-N 2 0 276.424 2.749 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877584068 643379125 /nfs/dbraw/zinc/37/91/25/643379125.db2.gz BWLVTFFOOLDAET-WDEREUQCSA-N 2 0 265.228 2.502 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000877644651 643427643 /nfs/dbraw/zinc/42/76/43/643427643.db2.gz YVDPOOLYZSHDJD-CHWSQXEVSA-N 2 0 291.266 2.892 20 0 CFADRP CO[C@@](C)(C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CC1 ZINC000877684165 643453227 /nfs/dbraw/zinc/45/32/27/643453227.db2.gz JNUAMFARKCORFK-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnn3ccccc13)CC2 ZINC000877684292 643453472 /nfs/dbraw/zinc/45/34/72/643453472.db2.gz KPFIXHUNOQBZCS-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC1CCCC1)CC2 ZINC000877684612 643453562 /nfs/dbraw/zinc/45/35/62/643453562.db2.gz QOSCBMIAFPXULQ-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000877698333 643460719 /nfs/dbraw/zinc/46/07/19/643460719.db2.gz XJGJCPBIZCXKOE-DLBZAZTESA-N 2 0 280.456 2.654 20 0 CFADRP CCC[C@@H](C[NH2+]CCC1CC[NH+](C(C)C)CC1)OC ZINC000877698222 643460852 /nfs/dbraw/zinc/46/08/52/643460852.db2.gz VWRKLEQZFYLBOS-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000877738189 643501277 /nfs/dbraw/zinc/50/12/77/643501277.db2.gz AMJGIZZBGIJHLI-HFTRVMKXSA-N 2 0 288.435 2.825 20 0 CFADRP COC[C@@H](C)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877793831 643559697 /nfs/dbraw/zinc/55/96/97/643559697.db2.gz BHJFJCTWQBGAII-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000877794725 643560030 /nfs/dbraw/zinc/56/00/30/643560030.db2.gz RIRYDRCTUSEPQQ-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP CC1(C)CC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)OC1 ZINC000877969091 643670995 /nfs/dbraw/zinc/67/09/95/643670995.db2.gz XCCALBXNYHPOAO-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[C@@H](O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000878018045 643695004 /nfs/dbraw/zinc/69/50/04/643695004.db2.gz QQHKJGGZIDOIRA-MSOLQXFVSA-N 2 0 296.499 2.837 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121437 643747411 /nfs/dbraw/zinc/74/74/11/643747411.db2.gz QFSFXZYGFLRRPG-DLBZAZTESA-N 2 0 292.467 2.896 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878148893 643759847 /nfs/dbraw/zinc/75/98/47/643759847.db2.gz SCDRERLJBRZOHE-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCC2CC2)C1 ZINC000878157375 643766375 /nfs/dbraw/zinc/76/63/75/643766375.db2.gz ZTAPVSPLGLYNBQ-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)C[C@@H]1C ZINC000878162289 643769562 /nfs/dbraw/zinc/76/95/62/643769562.db2.gz CYAKMNKUOQIUIF-HRCADAONSA-N 2 0 280.456 2.750 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000878196461 643788043 /nfs/dbraw/zinc/78/80/43/643788043.db2.gz BUPCUAKCNGQREW-BZUAXINKSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(C)(C)OC3(C)C)CC[C@@H]21 ZINC000878196428 643788431 /nfs/dbraw/zinc/78/84/31/643788431.db2.gz AQENJTLVZWIGOM-PMPSAXMXSA-N 2 0 294.483 2.996 20 0 CFADRP CC(C)[NH2+]C1CCN(C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878235375 643802185 /nfs/dbraw/zinc/80/21/85/643802185.db2.gz FVLOMWUKOZOBAB-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)[C@H](C)C1 ZINC000878259139 643812409 /nfs/dbraw/zinc/81/24/09/643812409.db2.gz ZRROVZUKDKTXRJ-XAJHFOFHSA-N 2 0 280.456 2.606 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878328783 643842429 /nfs/dbraw/zinc/84/24/29/643842429.db2.gz OFPGEIVKXHPOIU-FGTMMUONSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1conc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000878328468 643843036 /nfs/dbraw/zinc/84/30/36/643843036.db2.gz IUSHJWWKGRRJFS-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000090720291 650880515 /nfs/dbraw/zinc/88/05/15/650880515.db2.gz OOBHPSWBKSBKQH-XJKSGUPXSA-N 2 0 288.435 2.972 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC4(CCC4)O3)C2)C1 ZINC000878652411 643976461 /nfs/dbraw/zinc/97/64/61/643976461.db2.gz PSCNDBVAVJQUNJ-HOTGVXAUSA-N 2 0 278.440 2.506 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCCC(C)(C)O1)C2 ZINC000878662216 643982294 /nfs/dbraw/zinc/98/22/94/643982294.db2.gz MRDYARXMFANHIM-WBVHZDCISA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CC[C@H](O)c3ccccc3)C2)CC1 ZINC000878863824 644054880 /nfs/dbraw/zinc/05/48/80/644054880.db2.gz HDWSJICJALFHGK-KRWDZBQOSA-N 2 0 288.435 2.528 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCC(=O)OC(C)(C)C)CC2 ZINC000879247319 644193185 /nfs/dbraw/zinc/19/31/85/644193185.db2.gz AOYJWDUWTOSAAQ-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP Cc1cccc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1C ZINC000091542651 650902952 /nfs/dbraw/zinc/90/29/52/650902952.db2.gz NYHWXATZQYLVPF-SJORKVTESA-N 2 0 287.451 2.553 20 0 CFADRP C[N@H+](Cc1cccc2cccnc21)C1CCC([NH3+])CC1 ZINC000091844048 650909703 /nfs/dbraw/zinc/90/97/03/650909703.db2.gz PUEKOKKJVYICMH-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP COc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1F ZINC000091843981 650910000 /nfs/dbraw/zinc/91/00/00/650910000.db2.gz JWJJMNIODLCPMN-UHFFFAOYSA-N 2 0 266.360 2.536 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3)CC[C@@H]21 ZINC000879570212 644328119 /nfs/dbraw/zinc/32/81/19/644328119.db2.gz AZDOIRXJQOZISI-SJORKVTESA-N 2 0 258.409 2.645 20 0 CFADRP Cc1cccc(CCC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000879583178 644340190 /nfs/dbraw/zinc/34/01/90/644340190.db2.gz WFGDGGMSSTYHQW-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594228 644342484 /nfs/dbraw/zinc/34/24/84/644342484.db2.gz BUOCTEIYGMKHAZ-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP CCOCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704027 644389145 /nfs/dbraw/zinc/38/91/45/644389145.db2.gz IMNBXFZENOQOHE-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258332 644615893 /nfs/dbraw/zinc/61/58/93/644615893.db2.gz GBZBMBVUXZWWTE-INIZCTEOSA-N 2 0 296.418 2.538 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccccc1 ZINC000093514793 650941745 /nfs/dbraw/zinc/94/17/45/650941745.db2.gz AEUNWRGTQDIMQL-OIISXLGYSA-N 2 0 276.424 2.620 20 0 CFADRP CC(C)SCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473259 644727256 /nfs/dbraw/zinc/72/72/56/644727256.db2.gz ATWZAAJVFKYVSF-UHFFFAOYSA-N 2 0 256.459 2.688 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000880474178 644728065 /nfs/dbraw/zinc/72/80/65/644728065.db2.gz FQANGBUMYKOUFV-CALCHBBNSA-N 2 0 293.499 2.525 20 0 CFADRP COC1(CC[NH+]2CCC(C)([NH+]3CCC3)CC2)CCC1 ZINC000880473891 644728123 /nfs/dbraw/zinc/72/81/23/644728123.db2.gz CRGRPUFHQLCWGQ-UHFFFAOYSA-N 2 0 266.429 2.506 20 0 CFADRP CCn1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000880517347 644747953 /nfs/dbraw/zinc/74/79/53/644747953.db2.gz NQTSABUCCSWMMM-UHFFFAOYSA-N 2 0 278.444 2.601 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000094372462 650957431 /nfs/dbraw/zinc/95/74/31/650957431.db2.gz CIMUIUHLPLUUSR-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000250986610 650981998 /nfs/dbraw/zinc/98/19/98/650981998.db2.gz KNSIAGRHSPKYIL-JKSUJKDBSA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000251230254 650985459 /nfs/dbraw/zinc/98/54/59/650985459.db2.gz AWROUDSMUFLGJR-XEZPLFJOSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000130902439 645589754 /nfs/dbraw/zinc/58/97/54/645589754.db2.gz ASKCIYGDXNUAAG-NWDGAFQWSA-N 2 0 284.350 2.938 20 0 CFADRP CC(C)c1c[nH]c(C[NH2+]C2CCC(C[NH+](C)C)CC2)n1 ZINC000883073905 645593000 /nfs/dbraw/zinc/59/30/00/645593000.db2.gz FOUVDZOLQTXPAD-UHFFFAOYSA-N 2 0 278.444 2.743 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC(C)(C)CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000883186126 645648319 /nfs/dbraw/zinc/64/83/19/645648319.db2.gz LVOHCMJWQKXXGB-IKGGRYGDSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000883195294 645655498 /nfs/dbraw/zinc/65/54/98/645655498.db2.gz PJANXTNKJHEXBB-DOTOQJQBSA-N 2 0 295.515 2.817 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883196661 645656709 /nfs/dbraw/zinc/65/67/09/645656709.db2.gz UAXRQPSUDPCTQD-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883234333 645682998 /nfs/dbraw/zinc/68/29/98/645682998.db2.gz CBLHQTLDKACVKV-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP c1cn(-c2csc(C[NH2+]C[C@@H]3C=CCC3)c2)cn1 ZINC000883238080 645686110 /nfs/dbraw/zinc/68/61/10/645686110.db2.gz RIHCVJWNORADRA-GFCCVEGCSA-N 2 0 259.378 2.990 20 0 CFADRP CSCC[C@H](C)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253070553 651035509 /nfs/dbraw/zinc/03/55/09/651035509.db2.gz MLZCYGZFDBEJST-AVOUXACISA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1SCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000253085760 651036393 /nfs/dbraw/zinc/03/63/93/651036393.db2.gz ZXITUANWSJNHEV-UUQIVFDPSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C[C@H]1C[NH3+] ZINC000253201555 651039892 /nfs/dbraw/zinc/03/98/92/651039892.db2.gz YBNLUILTSSOCQN-XJKSGUPXSA-N 2 0 269.392 2.652 20 0 CFADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883417666 645811359 /nfs/dbraw/zinc/81/13/59/645811359.db2.gz ITBWZDYYQFCQQR-HOTGVXAUSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883417045 645811501 /nfs/dbraw/zinc/81/15/01/645811501.db2.gz MFYVUWAHECQVFA-QGTPRVQTSA-N 2 0 288.435 2.966 20 0 CFADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424068 645816608 /nfs/dbraw/zinc/81/66/08/645816608.db2.gz DTKLEGGIDMOOSV-CYBMUJFWSA-N 2 0 272.383 2.887 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)O1 ZINC000883428726 645821781 /nfs/dbraw/zinc/82/17/81/645821781.db2.gz BGRAXZKDCCDUNF-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)CCC[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)O1 ZINC000883428063 645822341 /nfs/dbraw/zinc/82/23/41/645822341.db2.gz KWEIRXONYDUAIE-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP FC1(F)CCC[C@H]1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883429699 645824374 /nfs/dbraw/zinc/82/43/74/645824374.db2.gz BUELQZSLISOSRW-KBPBESRZSA-N 2 0 272.383 2.887 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+][C@H](CN)C2CCCCC2)O1 ZINC000883429901 645824519 /nfs/dbraw/zinc/82/45/19/645824519.db2.gz HSKFEGDQOSBCIN-LSDHHAIUSA-N 2 0 268.445 2.831 20 0 CFADRP CN(C[C@H]1CC[C@@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429563 645824540 /nfs/dbraw/zinc/82/45/40/645824540.db2.gz ZDABMASOIWKECC-CVEARBPZSA-N 2 0 274.408 2.720 20 0 CFADRP CC1(C)CC[NH2+]CCN1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883439309 645831419 /nfs/dbraw/zinc/83/14/19/645831419.db2.gz OHBFJLNDTVPXOZ-IRXDYDNUSA-N 2 0 288.435 2.981 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCOC(F)(F)F)C1 ZINC000883439455 645833114 /nfs/dbraw/zinc/83/31/14/645833114.db2.gz SAMDYVUJFVAZFL-GFCCVEGCSA-N 2 0 282.350 2.610 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1)C1CCCC1 ZINC000883440882 645834663 /nfs/dbraw/zinc/83/46/63/645834663.db2.gz BTXATZDDFUBRKN-YOEHRIQHSA-N 2 0 290.455 2.572 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1ccccc1Br ZINC000883441671 645835106 /nfs/dbraw/zinc/83/51/06/645835106.db2.gz VDEUHLNWHXUFIW-CHWSQXEVSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000883459555 645843952 /nfs/dbraw/zinc/84/39/52/645843952.db2.gz AWBCWAVPDPMKLL-DOTOQJQBSA-N 2 0 258.409 2.997 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000883461937 645843973 /nfs/dbraw/zinc/84/39/73/645843973.db2.gz GLTQHPCVCURNCJ-DOTOQJQBSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000883459556 645844283 /nfs/dbraw/zinc/84/42/83/645844283.db2.gz AWBCWAVPDPMKLL-NVXWUHKLSA-N 2 0 258.409 2.997 20 0 CFADRP C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000132008018 645863433 /nfs/dbraw/zinc/86/34/33/645863433.db2.gz YEBNYSJQJLCYSK-NWDGAFQWSA-N 2 0 252.789 2.990 20 0 CFADRP COc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c(Cl)c1OC ZINC000215991873 646504384 /nfs/dbraw/zinc/50/43/84/646504384.db2.gz PDCIDZUBZIPQQG-GHMZBOCLSA-N 2 0 298.814 2.526 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+]Cc1cncc2ccccc21 ZINC000135371281 646526178 /nfs/dbraw/zinc/52/61/78/646526178.db2.gz CLQQDIDWQIRADR-MRXNPFEDSA-N 2 0 269.392 2.809 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885962532 646785833 /nfs/dbraw/zinc/78/58/33/646785833.db2.gz BFNQXZZFONSYOZ-DLBZAZTESA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000885963307 646786046 /nfs/dbraw/zinc/78/60/46/646786046.db2.gz LWLNVXMWZHHIDO-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885975309 646791787 /nfs/dbraw/zinc/79/17/87/646791787.db2.gz PPWGNZAYQIJJCB-OMVNSRBRSA-N 2 0 262.372 2.770 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885983295 646795398 /nfs/dbraw/zinc/79/53/98/646795398.db2.gz CJSKHLWXNFKLOL-ROUUACIJSA-N 2 0 294.483 2.996 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C)co2)CC1 ZINC000886000232 646805483 /nfs/dbraw/zinc/80/54/83/646805483.db2.gz YNMYGJRQNPPESC-UHFFFAOYSA-N 2 0 250.386 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C ZINC000886033571 646830986 /nfs/dbraw/zinc/83/09/86/646830986.db2.gz WXZGUEZOJWUIBV-IWCQGFGOSA-N 2 0 280.456 2.749 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C ZINC000886033569 646831614 /nfs/dbraw/zinc/83/16/14/646831614.db2.gz WXZGUEZOJWUIBV-BSWAZPDLSA-N 2 0 280.456 2.749 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886032528 646832087 /nfs/dbraw/zinc/83/20/87/646832087.db2.gz IGMOCZQCZUJISK-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)CO3)CC[C@@H]21 ZINC000886044295 646840242 /nfs/dbraw/zinc/84/02/42/646840242.db2.gz VIUVUJAGJROPED-ZACQAIPSSA-N 2 0 292.467 2.752 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886080820 646857382 /nfs/dbraw/zinc/85/73/82/646857382.db2.gz GKIVDWHFJCOCRN-SFFUCWETSA-N 2 0 292.467 2.606 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(CCSC(F)(F)F)CC1 ZINC000886171810 646906341 /nfs/dbraw/zinc/90/63/41/646906341.db2.gz OTTJXPNDLCKGNB-SNVBAGLBSA-N 2 0 270.364 2.656 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886171454 646906426 /nfs/dbraw/zinc/90/64/26/646906426.db2.gz HJRYGNKPEVNROG-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCOC2CCCCC2)CC1 ZINC000886171370 646906518 /nfs/dbraw/zinc/90/65/18/646906518.db2.gz FQURCYXMVWYFBM-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886171866 646906675 /nfs/dbraw/zinc/90/66/75/646906675.db2.gz QIXCFCFBPUKYMJ-WBVHZDCISA-N 2 0 291.439 2.584 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CC[C@H](C4CC4)O3)C2)CC1 ZINC000886185712 646912223 /nfs/dbraw/zinc/91/22/23/646912223.db2.gz FGLNTFGAYBUHNE-DLBZAZTESA-N 2 0 292.467 2.752 20 0 CFADRP COC(=O)[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000886497090 647019790 /nfs/dbraw/zinc/01/97/90/647019790.db2.gz RQICYVXHSQQFKG-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP COC(=O)[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000886497088 647019862 /nfs/dbraw/zinc/01/98/62/647019862.db2.gz RQICYVXHSQQFKG-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000886498707 647020505 /nfs/dbraw/zinc/02/05/05/647020505.db2.gz NPFSGZWJVSERBE-CKDBGZEDSA-N 2 0 292.423 2.700 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2CCOCC2)CC1 ZINC000886518847 647026259 /nfs/dbraw/zinc/02/62/59/647026259.db2.gz HUWFSEHZFDNEOJ-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000886525100 647029023 /nfs/dbraw/zinc/02/90/23/647029023.db2.gz XINCEXHMVGIJDL-HWOWSKLDSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000886532363 647032380 /nfs/dbraw/zinc/03/23/80/647032380.db2.gz IBCWWULPSHRUKC-OOHWJJMZSA-N 2 0 290.455 2.868 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886532647 647033431 /nfs/dbraw/zinc/03/34/31/647033431.db2.gz MJDGYMWWAKOKID-KRWDZBQOSA-N 2 0 292.471 2.829 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCOC2CCC2)CC1 ZINC000886576284 647052387 /nfs/dbraw/zinc/05/23/87/647052387.db2.gz CEJMSMNKZFIDBC-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC1)c1cccc(C[NH+](C)C)c1 ZINC000925482790 647055586 /nfs/dbraw/zinc/05/55/86/647055586.db2.gz XJVCNMKGSZXFPX-SWLSCSKDSA-N 2 0 264.438 2.904 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000886599267 647061555 /nfs/dbraw/zinc/06/15/55/647061555.db2.gz VDRFWVPAFUISCK-SOEBMCCKSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000886623687 647073986 /nfs/dbraw/zinc/07/39/86/647073986.db2.gz LCNPVJUTNKZPMF-GYXIZQIFSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000886638529 647082550 /nfs/dbraw/zinc/08/25/50/647082550.db2.gz WMWFLMQHHWZUHO-YZUHTNEWSA-N 2 0 292.467 2.677 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000886638527 647082690 /nfs/dbraw/zinc/08/26/90/647082690.db2.gz WMWFLMQHHWZUHO-JCCCHCCOSA-N 2 0 292.467 2.677 20 0 CFADRP CCC1([NH+]2CCC2)CCN(CCc2c(C)noc2C)CC1 ZINC000886715710 647120025 /nfs/dbraw/zinc/12/00/25/647120025.db2.gz BQOSVZZFJFZSMH-UHFFFAOYSA-N 2 0 291.439 2.784 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)[C@H]2CCC[C@H]21 ZINC000886730564 647124060 /nfs/dbraw/zinc/12/40/60/647124060.db2.gz GWFZXCCFVKZTCU-VVLHAWIVSA-N 2 0 292.467 2.798 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1 ZINC000886774992 647133230 /nfs/dbraw/zinc/13/32/30/647133230.db2.gz ZJPLAGFIYIOVND-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CCC3)CO1)CC[NH2+]CC2 ZINC000886839307 647158448 /nfs/dbraw/zinc/15/84/48/647158448.db2.gz BELHVLDCSIJLEH-JKSUJKDBSA-N 2 0 292.467 2.800 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886839837 647159514 /nfs/dbraw/zinc/15/95/14/647159514.db2.gz NGUVPURWBUNVNW-DZVNLGKHSA-N 2 0 292.467 2.641 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839560 647159536 /nfs/dbraw/zinc/15/95/36/647159536.db2.gz HLHNEXJVRFTDHH-VQHPVUNQSA-N 2 0 262.441 2.744 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886839653 647159572 /nfs/dbraw/zinc/15/95/72/647159572.db2.gz JMKLXFNWJFPFNA-XDNAFOTISA-N 2 0 292.467 2.641 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000886874522 647165024 /nfs/dbraw/zinc/16/50/24/647165024.db2.gz PSCHAPCUDPKDLC-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000886874521 647165270 /nfs/dbraw/zinc/16/52/70/647165270.db2.gz PSCHAPCUDPKDLC-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000886874074 647165792 /nfs/dbraw/zinc/16/57/92/647165792.db2.gz FXVUMGPYDOCIQS-SFHVURJKSA-N 2 0 287.451 2.972 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132405 647222446 /nfs/dbraw/zinc/22/24/46/647222446.db2.gz FEQPIHRPMNWXPN-GJZGRUSLSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000887134763 647223620 /nfs/dbraw/zinc/22/36/20/647223620.db2.gz PTFZEKKOHKBSGJ-GFCCVEGCSA-N 2 0 281.350 2.637 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000887134602 647223665 /nfs/dbraw/zinc/22/36/65/647223665.db2.gz MNELGXOEANEIAA-JONQDZQNSA-N 2 0 271.408 2.638 20 0 CFADRP FC(F)(F)SCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000127895570 647864787 /nfs/dbraw/zinc/86/47/87/647864787.db2.gz XZOSCIYAXQUMOP-NSHDSACASA-N 2 0 282.375 2.703 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925496707 647884047 /nfs/dbraw/zinc/88/40/47/647884047.db2.gz VJIJQCFQBHKJMD-BYCMXARLSA-N 2 0 262.372 2.616 20 0 CFADRP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccnnc1 ZINC000924528306 647987995 /nfs/dbraw/zinc/98/79/95/647987995.db2.gz FUVLMBIJWNUWHA-HNNXBMFYSA-N 2 0 296.418 2.792 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924578065 647999524 /nfs/dbraw/zinc/99/95/24/647999524.db2.gz OROQPLXVIHBNRG-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1cnn(C2CCC2)c1 ZINC000924618307 648009425 /nfs/dbraw/zinc/00/94/25/648009425.db2.gz XHZPXLAPSMGJSI-CQSZACIVSA-N 2 0 278.444 2.989 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000924651584 648019452 /nfs/dbraw/zinc/01/94/52/648019452.db2.gz YYBUNIVARQAOOG-MRXNPFEDSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657014 648020285 /nfs/dbraw/zinc/02/02/85/648020285.db2.gz FDEWTRCTCGZCEH-QGZVFWFLSA-N 2 0 297.531 2.920 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924699915 648030528 /nfs/dbraw/zinc/03/05/28/648030528.db2.gz VGDJXUDQIFNLNR-YVSFHVDLSA-N 2 0 280.456 2.534 20 0 CFADRP CC1(C)CC2(CC([NH2+]C3CC[NH+](CC4CC4)CC3)C2)CO1 ZINC000924714167 648033786 /nfs/dbraw/zinc/03/37/86/648033786.db2.gz WEBFYDBULBFTEH-UHFFFAOYSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924722754 648035423 /nfs/dbraw/zinc/03/54/23/648035423.db2.gz UUGKULOVXYAWHL-IKGGRYGDSA-N 2 0 282.472 2.759 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924754106 648042528 /nfs/dbraw/zinc/04/25/28/648042528.db2.gz SVTVBROOSWQAFN-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C1CC([NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000924844098 648058348 /nfs/dbraw/zinc/05/83/48/648058348.db2.gz QJNPGKDSGKDXQQ-QZTJIDSGSA-N 2 0 291.483 2.610 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924848662 648058949 /nfs/dbraw/zinc/05/89/49/648058949.db2.gz ZGTVWBXPMUHSCG-CABCVRRESA-N 2 0 298.434 2.820 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(O)cc(F)c1 ZINC000924852130 648059613 /nfs/dbraw/zinc/05/96/13/648059613.db2.gz DSBPXEALLHRKQA-LLVKDONJSA-N 2 0 254.349 2.524 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(OC)ccn2)CC1 ZINC000924955258 648078464 /nfs/dbraw/zinc/07/84/64/648078464.db2.gz MOXTWPMSWHGVCA-CQSZACIVSA-N 2 0 291.439 2.863 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924954938 648078790 /nfs/dbraw/zinc/07/87/90/648078790.db2.gz YHVSJRQHKXQMNO-IRXDYDNUSA-N 2 0 297.531 2.776 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924954934 648079094 /nfs/dbraw/zinc/07/90/94/648079094.db2.gz YHVSJRQHKXQMNO-DLBZAZTESA-N 2 0 297.531 2.776 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924989249 648085234 /nfs/dbraw/zinc/08/52/34/648085234.db2.gz DDJUOPQWVJHHSV-JKSUJKDBSA-N 2 0 283.504 2.529 20 0 CFADRP CSC1CC([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000925069180 648098839 /nfs/dbraw/zinc/09/88/39/648098839.db2.gz BMVOWSZMNVJEBE-UHFFFAOYSA-N 2 0 282.428 2.871 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCc3c2nccc3Cl)CC[N@@H+]1C ZINC000925144065 648115579 /nfs/dbraw/zinc/11/55/79/648115579.db2.gz SOYIVZCORWHOLR-JTNHKYCSSA-N 2 0 279.815 2.795 20 0 CFADRP CC(C)CC[NH+]1CCC(NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000925175718 648124033 /nfs/dbraw/zinc/12/40/33/648124033.db2.gz GZYNZYNYIWGEPT-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000925195159 648129429 /nfs/dbraw/zinc/12/94/29/648129429.db2.gz GUZIQJSHXQOGHH-LSDHHAIUSA-N 2 0 256.434 2.510 20 0 CFADRP CN(C)[C@]1(C[NH2+]C2CC3(C2)CCCC3)CCSC1 ZINC000925211101 648132098 /nfs/dbraw/zinc/13/20/98/648132098.db2.gz AVGFAPZEXMXGHU-HNNXBMFYSA-N 2 0 268.470 2.736 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000925220091 648134703 /nfs/dbraw/zinc/13/47/03/648134703.db2.gz HYICGGRSIRPZHR-FXUDXRNXSA-N 2 0 270.461 2.779 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000925223104 648135327 /nfs/dbraw/zinc/13/53/27/648135327.db2.gz VGEIVCNGKNPFLG-ZACQAIPSSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000925222394 648135420 /nfs/dbraw/zinc/13/54/20/648135420.db2.gz SKSKZRFYTJWTGS-XHSDSOJGSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000925222034 648135551 /nfs/dbraw/zinc/13/55/51/648135551.db2.gz QIHGLCLVBXWJQJ-VGWMRTNUSA-N 2 0 268.445 2.510 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC2(C1)CCCC2 ZINC000925241279 648139505 /nfs/dbraw/zinc/13/95/05/648139505.db2.gz PFSJVEGGWADWHX-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925303093 648153167 /nfs/dbraw/zinc/15/31/67/648153167.db2.gz LKDXPHSVDGIJJG-HOCLYGCPSA-N 2 0 270.461 2.779 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cccc(C[NH+](C)C)c1 ZINC000925308413 648154545 /nfs/dbraw/zinc/15/45/45/648154545.db2.gz PXDNHTUTBCQAFF-LSDHHAIUSA-N 2 0 286.423 2.684 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925442331 648169534 /nfs/dbraw/zinc/16/95/34/648169534.db2.gz IBSVJOGYLVYFDV-WMZOPIPTSA-N 2 0 287.451 2.859 20 0 CFADRP C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)CC[NH+]1CCCCC1 ZINC000925487254 648181072 /nfs/dbraw/zinc/18/10/72/648181072.db2.gz MJHKJHKCBDTPSU-KRWDZBQOSA-N 3 0 293.499 2.907 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925487057 648181098 /nfs/dbraw/zinc/18/10/98/648181098.db2.gz BENKJVWLFXZRRT-JYJNAYRXSA-N 3 0 283.504 2.993 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCSC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925486653 648181236 /nfs/dbraw/zinc/18/12/36/648181236.db2.gz SGKZBANVOPYZHT-UTLUCORTSA-N 2 0 282.375 2.606 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925492032 648182235 /nfs/dbraw/zinc/18/22/35/648182235.db2.gz FDUIFNXVYHNMRB-CABCVRRESA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925496690 648182931 /nfs/dbraw/zinc/18/29/31/648182931.db2.gz SGMIOQVTVKXGAV-BQFCYCMXSA-N 2 0 289.467 2.785 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493631 648183130 /nfs/dbraw/zinc/18/31/30/648183130.db2.gz LWIMKORANXNSRL-JKSUJKDBSA-N 3 0 281.488 2.604 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@H]2CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925498077 648184006 /nfs/dbraw/zinc/18/40/06/648184006.db2.gz BXGLEHUQYKULNK-ROUUACIJSA-N 2 0 299.462 2.525 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCN(c3ccccc3)C1)[NH2+]2 ZINC000925498568 648184163 /nfs/dbraw/zinc/18/41/63/648184163.db2.gz QTBSPIVRHRKPAP-LMCLKVLCSA-N 2 0 299.462 2.774 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925499861 648185314 /nfs/dbraw/zinc/18/53/14/648185314.db2.gz BCFGCUVAOMSCHA-VBNZEHGJSA-N 2 0 276.424 2.736 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000925499904 648185656 /nfs/dbraw/zinc/18/56/56/648185656.db2.gz UVOWCFNBIHOWKR-WMLDXEAASA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C12CCC2 ZINC000925502651 648186887 /nfs/dbraw/zinc/18/68/87/648186887.db2.gz GQTIQZHSXSEQSV-CVEARBPZSA-N 2 0 287.382 2.709 20 0 CFADRP c1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925504362 648188097 /nfs/dbraw/zinc/18/80/97/648188097.db2.gz QCPCTRILSIBOSG-MSOLQXFVSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925507446 648189723 /nfs/dbraw/zinc/18/97/23/648189723.db2.gz BBCJCWYJQYUXBB-IRXDYDNUSA-N 2 0 298.434 2.594 20 0 CFADRP CC1CC[NH+](CCCN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925510995 648191461 /nfs/dbraw/zinc/19/14/61/648191461.db2.gz DHFPDPACSLHUJW-CVEARBPZSA-N 2 0 281.488 2.604 20 0 CFADRP COc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925512191 648192939 /nfs/dbraw/zinc/19/29/39/648192939.db2.gz ANUBNJLQGRVABO-KGLIPLIRSA-N 2 0 262.397 2.691 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925514639 648193543 /nfs/dbraw/zinc/19/35/43/648193543.db2.gz NWCZWOGDGDKEOA-ROUUACIJSA-N 2 0 288.435 2.953 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925514011 648193906 /nfs/dbraw/zinc/19/39/06/648193906.db2.gz CVWUOWFPGSSAAR-CZUORRHYSA-N 2 0 276.424 2.919 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[C@@H]2CCCO[C@@H]21 ZINC000925519570 648196233 /nfs/dbraw/zinc/19/62/33/648196233.db2.gz URGRDULETLOWSM-FQKPHLNHSA-N 2 0 280.456 2.686 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[C@@H]2CCCO[C@H]21 ZINC000925519571 648196471 /nfs/dbraw/zinc/19/64/71/648196471.db2.gz URGRDULETLOWSM-GZBLMMOJSA-N 2 0 280.456 2.686 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)s1 ZINC000925519737 648196693 /nfs/dbraw/zinc/19/66/93/648196693.db2.gz VTISXWMZJUFWMW-RYUDHWBXSA-N 2 0 267.442 2.756 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccc(-n2cccn2)c1 ZINC000925527769 648201564 /nfs/dbraw/zinc/20/15/64/648201564.db2.gz QNSZNWIZOGHHJX-JQFCIGGWSA-N 2 0 296.418 2.793 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCOC2CCCC2)C1 ZINC000925530012 648202295 /nfs/dbraw/zinc/20/22/95/648202295.db2.gz ASPKQLXJJZEHCU-KBPBESRZSA-N 2 0 268.445 2.831 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C12CCC2 ZINC000925536987 648205924 /nfs/dbraw/zinc/20/59/24/648205924.db2.gz HJXRGQHVKKQAQL-HZPDHXFCSA-N 2 0 270.420 2.968 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCNc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925538571 648207109 /nfs/dbraw/zinc/20/71/09/648207109.db2.gz VCXIHCKKBRPMRS-HIFRSBDPSA-N 2 0 261.413 2.594 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925541408 648208127 /nfs/dbraw/zinc/20/81/27/648208127.db2.gz IKJHCEKYJJDRPW-IRXDYDNUSA-N 3 0 293.499 2.604 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925540891 648208437 /nfs/dbraw/zinc/20/84/37/648208437.db2.gz IWDAFUYTJKNWBA-XHSDSOJGSA-N 2 0 291.439 2.590 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543142 648208947 /nfs/dbraw/zinc/20/89/47/648208947.db2.gz QYHWZGCOASHMSV-KZNAEPCWSA-N 3 0 289.467 2.929 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000925547106 648211897 /nfs/dbraw/zinc/21/18/97/648211897.db2.gz RFSOHYGFORLNJM-FPCVCCKLSA-N 2 0 281.488 2.745 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925553814 648213504 /nfs/dbraw/zinc/21/35/04/648213504.db2.gz RZWWLYOJGVORKK-QGZVFWFLSA-N 3 0 293.499 2.763 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2)C12CCC2 ZINC000925582644 648226186 /nfs/dbraw/zinc/22/61/86/648226186.db2.gz BQCBNMHTQYEIIV-ZIAGYGMSSA-N 2 0 280.799 2.578 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925581090 648226358 /nfs/dbraw/zinc/22/63/58/648226358.db2.gz WEHOVPOHWJWZQZ-LSDHHAIUSA-N 2 0 250.430 2.935 20 0 CFADRP C(CC1CCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925582096 648226869 /nfs/dbraw/zinc/22/68/69/648226869.db2.gz XAZGYJBSBDXGIG-HZPDHXFCSA-N 2 0 250.430 2.935 20 0 CFADRP COc1ccc(C2([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)CC2)cc1 ZINC000925583403 648227315 /nfs/dbraw/zinc/22/73/15/648227315.db2.gz DYXPXUWHNJRNIJ-CABCVRRESA-N 2 0 272.392 2.544 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925586472 648228723 /nfs/dbraw/zinc/22/87/23/648228723.db2.gz SKSWWTWKBCPPGO-HUUCEWRRSA-N 2 0 274.408 2.542 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1Cc2ccccc2C1 ZINC000925602494 648234988 /nfs/dbraw/zinc/23/49/88/648234988.db2.gz UOSRNMLNAJACGU-OQSMONGASA-N 2 0 270.420 2.507 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925604147 648236269 /nfs/dbraw/zinc/23/62/69/648236269.db2.gz IHHOVBADICZMOV-TVFCKZIOSA-N 2 0 294.483 2.805 20 0 CFADRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000925607897 648237790 /nfs/dbraw/zinc/23/77/90/648237790.db2.gz XVSDTWQOISXZNP-INIZCTEOSA-N 2 0 285.391 2.660 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925637379 648254752 /nfs/dbraw/zinc/25/47/52/648254752.db2.gz JVNKSGABZIIYNG-QJPTWQEYSA-N 2 0 256.459 2.624 20 0 CFADRP CC(C)CSCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925627032 648246182 /nfs/dbraw/zinc/24/61/82/648246182.db2.gz VSQZPDXUICJJPU-RDBSUJKOSA-N 2 0 270.486 2.742 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cs1 ZINC000925625395 648246748 /nfs/dbraw/zinc/24/67/48/648246748.db2.gz DTSZJSQNVRNULP-OLZOCXBDSA-N 2 0 293.480 2.843 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCCS2)C[C@@H]([NH3+])C1 ZINC000925633297 648251947 /nfs/dbraw/zinc/25/19/47/648251947.db2.gz DFZJYJJJFPNJIC-FRRDWIJNSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000925636377 648253481 /nfs/dbraw/zinc/25/34/81/648253481.db2.gz BUJXKHTVKTZMDZ-BQFCYCMXSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925637434 648254588 /nfs/dbraw/zinc/25/45/88/648254588.db2.gz LDRREONPAWQFTA-AHCXZYCDSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000925638655 648255975 /nfs/dbraw/zinc/25/59/75/648255975.db2.gz DSJDUSQJQVDOGW-PQUAAJSLSA-N 2 0 288.435 2.547 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C12CCC2 ZINC000925638559 648256169 /nfs/dbraw/zinc/25/61/69/648256169.db2.gz DPCSXUCSCJOFEY-STQMWFEESA-N 2 0 266.335 2.984 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925638269 648256300 /nfs/dbraw/zinc/25/63/00/648256300.db2.gz AGDWDERNXXRYHG-CVEARBPZSA-N 2 0 282.472 2.807 20 0 CFADRP C[C@@H](CO)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925641004 648256794 /nfs/dbraw/zinc/25/67/94/648256794.db2.gz XNIGGBZQTRFYFK-CABCVRRESA-N 2 0 278.440 2.807 20 0 CFADRP [NH3+][C@H]1C[C@H](NCc2ccc(Cl)cc2F)C12CCC2 ZINC000925643984 648259219 /nfs/dbraw/zinc/25/92/19/648259219.db2.gz LHDZGVICLIAHFF-STQMWFEESA-N 2 0 268.763 2.839 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925647836 648260431 /nfs/dbraw/zinc/26/04/31/648260431.db2.gz IOJCNXRELQOMDH-GADNRMJZSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925649840 648261414 /nfs/dbraw/zinc/26/14/14/648261414.db2.gz PICQHXJAYSEHBN-KKUMJFAQSA-N 2 0 292.471 2.655 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925653944 648264412 /nfs/dbraw/zinc/26/44/12/648264412.db2.gz COEFGWBKVZPRFS-GJZGRUSLSA-N 2 0 276.449 2.811 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925655734 648265022 /nfs/dbraw/zinc/26/50/22/648265022.db2.gz HALCIQHDVPMFJT-RYUDHWBXSA-N 2 0 256.459 2.768 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C1 ZINC000925666156 648269632 /nfs/dbraw/zinc/26/96/32/648269632.db2.gz QUHGGZWRKQPXHB-NWDGAFQWSA-N 2 0 299.365 2.679 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925667832 648270653 /nfs/dbraw/zinc/27/06/53/648270653.db2.gz DTCRIBOBAJDWHH-LSDHHAIUSA-N 2 0 276.449 2.909 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925670997 648271925 /nfs/dbraw/zinc/27/19/25/648271925.db2.gz BRHHCPSWNIOWCK-ILXRZTDVSA-N 2 0 282.472 2.805 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)ccc2[nH]1 ZINC000925670648 648272436 /nfs/dbraw/zinc/27/24/36/648272436.db2.gz MQQIFEOBSWACJK-HOTGVXAUSA-N 2 0 269.392 2.836 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(c3ccccn3)CCC2)C1 ZINC000925671863 648273085 /nfs/dbraw/zinc/27/30/85/648273085.db2.gz SDRBDVYCNZANST-GJZGRUSLSA-N 2 0 287.451 2.999 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000925673826 648274718 /nfs/dbraw/zinc/27/47/18/648274718.db2.gz OWECYSJMMCWSEK-HOTGVXAUSA-N 2 0 258.409 2.910 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000925676373 648275099 /nfs/dbraw/zinc/27/50/99/648275099.db2.gz IMZQPNWSUZEEEQ-ZNMIVQPWSA-N 2 0 296.842 2.869 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925675629 648275344 /nfs/dbraw/zinc/27/53/44/648275344.db2.gz XMMDJMRZWMOCGU-ILXRZTDVSA-N 2 0 250.430 2.933 20 0 CFADRP CCC[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)OC ZINC000925681675 648278497 /nfs/dbraw/zinc/27/84/97/648278497.db2.gz WRBIRXCOTZQDEC-CVEARBPZSA-N 2 0 264.413 2.871 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C12CCC2 ZINC000925686843 648280163 /nfs/dbraw/zinc/28/01/63/648280163.db2.gz XBDOBNGQQWGCBK-LTIDMASMSA-N 2 0 292.467 2.702 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000925689288 648281648 /nfs/dbraw/zinc/28/16/48/648281648.db2.gz CFWWIQJUPNDLBB-GOSISDBHSA-N 3 0 294.402 2.904 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)c2nccn21 ZINC000925697204 648285171 /nfs/dbraw/zinc/28/51/71/648285171.db2.gz ZNXUWLXXXYERDM-FVQBIDKESA-N 2 0 284.407 2.959 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000925700203 648285208 /nfs/dbraw/zinc/28/52/08/648285208.db2.gz NOEUKFBYRNXNBB-QUSNUVHPSA-N 2 0 280.456 2.546 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925703209 648286061 /nfs/dbraw/zinc/28/60/61/648286061.db2.gz CFBSLPWBKNHFBC-SJLPKXTDSA-N 2 0 285.435 2.644 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925702987 648286141 /nfs/dbraw/zinc/28/61/41/648286141.db2.gz RAUKTOXCQPJFMV-LJQANCHMSA-N 3 0 297.446 2.976 20 0 CFADRP C[C@H](N)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000925703296 648286463 /nfs/dbraw/zinc/28/64/63/648286463.db2.gz CYIZJCSJSOVRNX-YJNKEBTESA-N 2 0 275.440 2.537 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)C[C@@H]([NH3+])C1 ZINC000925704745 648287333 /nfs/dbraw/zinc/28/73/33/648287333.db2.gz DVRPUZAMDBTCAL-IJEWVQPXSA-N 2 0 273.424 2.752 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925709741 648290227 /nfs/dbraw/zinc/29/02/27/648290227.db2.gz VICJABDFTGTROV-XHSDSOJGSA-N 2 0 281.488 2.602 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710694 648290706 /nfs/dbraw/zinc/29/07/06/648290706.db2.gz XOIXQSGGUILDJW-DLBZAZTESA-N 2 0 275.440 2.541 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925709997 648290879 /nfs/dbraw/zinc/29/08/79/648290879.db2.gz BBEKAOLXSYBVCH-GXRKGUKWSA-N 2 0 288.410 2.733 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1(F)F ZINC000925712192 648291334 /nfs/dbraw/zinc/29/13/34/648291334.db2.gz WTBUJTSJSLGWCW-MDZLAQPJSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3occc3c2)C12CCC2 ZINC000925711266 648291372 /nfs/dbraw/zinc/29/13/72/648291372.db2.gz ZDAYGPSPKOUTCK-GJZGRUSLSA-N 2 0 256.349 2.792 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C12CCC2 ZINC000925713940 648292879 /nfs/dbraw/zinc/29/28/79/648292879.db2.gz YQTRAOXYLLSATE-RCCFBDPRSA-N 2 0 296.414 2.733 20 0 CFADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C1CCC(C2CCC2)CC1 ZINC000925717570 648296019 /nfs/dbraw/zinc/29/60/19/648296019.db2.gz UISBWFMIHDBABZ-JIMGEDGFSA-N 2 0 292.467 2.687 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925722656 648298023 /nfs/dbraw/zinc/29/80/23/648298023.db2.gz MYTJLFVQRRWFPL-KRWDZBQOSA-N 3 0 293.499 2.761 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)OCC ZINC000925723558 648299192 /nfs/dbraw/zinc/29/91/92/648299192.db2.gz RBUCUSLNYLWUJZ-ZACQAIPSSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726816 648299749 /nfs/dbraw/zinc/29/97/49/648299749.db2.gz WLAAPEUQSVCMQI-SJORKVTESA-N 3 0 289.467 2.834 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)OC1 ZINC000925730955 648301073 /nfs/dbraw/zinc/30/10/73/648301073.db2.gz IMCDRQDWGPDGAL-MGPQQGTHSA-N 2 0 268.445 2.687 20 0 CFADRP C1=C[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925730688 648301144 /nfs/dbraw/zinc/30/11/44/648301144.db2.gz HQJYCNRLNLTHIF-QILLFSRXSA-N 2 0 284.403 2.798 20 0 CFADRP COC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000925737797 648304176 /nfs/dbraw/zinc/30/41/76/648304176.db2.gz LJWQPMQOKXCLRD-ZDUSSCGKSA-N 2 0 270.804 2.745 20 0 CFADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000925740710 648305871 /nfs/dbraw/zinc/30/58/71/648305871.db2.gz JYTQKPOXOFNSJN-CYBMUJFWSA-N 2 0 280.412 2.872 20 0 CFADRP Cc1ccc(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(Cl)n1 ZINC000925764831 648312164 /nfs/dbraw/zinc/31/21/64/648312164.db2.gz IDCFGAKHJYDQCK-RDBSUJKOSA-N 2 0 293.842 2.910 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)c2ccccc21 ZINC000925771720 648314217 /nfs/dbraw/zinc/31/42/17/648314217.db2.gz CRIDROVRQDIPGW-APHBMKBZSA-N 2 0 272.392 2.680 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000925772477 648315568 /nfs/dbraw/zinc/31/55/68/648315568.db2.gz ICWMEUIDQJFSID-AYDFFVQHSA-N 2 0 266.429 2.584 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925779402 648319876 /nfs/dbraw/zinc/31/98/76/648319876.db2.gz MYHWROTZFIQVHM-KBPBESRZSA-N 2 0 268.351 2.972 20 0 CFADRP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000925783588 648322049 /nfs/dbraw/zinc/32/20/49/648322049.db2.gz FVCQTKPBOMCLQF-XOKHGSTOSA-N 2 0 258.409 2.891 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000925784247 648322123 /nfs/dbraw/zinc/32/21/23/648322123.db2.gz IHNYXCDHLSFPAZ-WCXIOVBPSA-N 2 0 287.451 2.861 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000925801651 648327375 /nfs/dbraw/zinc/32/73/75/648327375.db2.gz WDPKFZLWQDPSOB-HLLBOEOZSA-N 2 0 298.434 2.769 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC000925800796 648327559 /nfs/dbraw/zinc/32/75/59/648327559.db2.gz YTNYGDLWSCYTDI-UXIGCNINSA-N 2 0 261.413 2.595 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925799877 648327584 /nfs/dbraw/zinc/32/75/84/648327584.db2.gz OTUGERMUIINQQM-IIAWOOMASA-N 2 0 276.424 2.982 20 0 CFADRP C[C@H]([NH2+]CCC1(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000925804587 648328259 /nfs/dbraw/zinc/32/82/59/648328259.db2.gz JZHZFXJKPSZMCR-GJZGRUSLSA-N 2 0 258.409 2.696 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccnn1-c1ccccc1 ZINC000925802441 648328333 /nfs/dbraw/zinc/32/83/33/648328333.db2.gz GYVASKMTDSWNNB-BZUAXINKSA-N 2 0 298.434 2.769 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802760 648328477 /nfs/dbraw/zinc/32/84/77/648328477.db2.gz QNZUAKXKJGBMMZ-KHIZAZIESA-N 2 0 273.424 2.936 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925806269 648329438 /nfs/dbraw/zinc/32/94/38/648329438.db2.gz ZGUKLZJMWHXWOP-HNNXBMFYSA-N 2 0 286.423 2.522 20 0 CFADRP Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1C ZINC000925809011 648329736 /nfs/dbraw/zinc/32/97/36/648329736.db2.gz GTNXLAOOKDTDED-MRXNPFEDSA-N 2 0 289.467 2.686 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccco1 ZINC000925807658 648330196 /nfs/dbraw/zinc/33/01/96/648330196.db2.gz GZUVJMJTLSZYPF-OAHLLOKOSA-N 2 0 299.418 2.536 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)c(Cl)c1 ZINC000925811757 648330640 /nfs/dbraw/zinc/33/06/40/648330640.db2.gz ROQZAVUAYQIKLK-LLVKDONJSA-N 2 0 299.821 2.553 20 0 CFADRP CCCc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925810583 648331075 /nfs/dbraw/zinc/33/10/75/648331075.db2.gz PDPQYEVBHFDCEE-OAHLLOKOSA-N 2 0 289.467 2.713 20 0 CFADRP C[C@H]([NH2+]CCc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000925815215 648331519 /nfs/dbraw/zinc/33/15/19/648331519.db2.gz UQAFBUZIOHPBRX-YOEHRIQHSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc2ccccc2o1 ZINC000925812201 648331952 /nfs/dbraw/zinc/33/19/52/648331952.db2.gz VMIFQXMTTJPNMQ-ZDUSSCGKSA-N 2 0 287.407 2.507 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc21 ZINC000925813749 648332076 /nfs/dbraw/zinc/33/20/76/648332076.db2.gz WJDFOKCHPMRXFG-BZUAXINKSA-N 2 0 298.434 2.584 20 0 CFADRP C[C@H]([NH2+]CCc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000925815210 648332170 /nfs/dbraw/zinc/33/21/70/648332170.db2.gz UQAFBUZIOHPBRX-WMLDXEAASA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cc1Cl ZINC000925812221 648332209 /nfs/dbraw/zinc/33/22/09/648332209.db2.gz VUKIQBIAZZYIAQ-LLVKDONJSA-N 2 0 299.821 2.553 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925820530 648333457 /nfs/dbraw/zinc/33/34/57/648333457.db2.gz DGBKYOGSOFNFSU-GHLYRHEWSA-N 2 0 262.441 2.931 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1C ZINC000925831159 648336076 /nfs/dbraw/zinc/33/60/76/648336076.db2.gz SMHNWBYDYALBRJ-YDHLFZDLSA-N 2 0 262.397 2.652 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000925832366 648337340 /nfs/dbraw/zinc/33/73/40/648337340.db2.gz OVOHMSILWSSTFC-UKKRHICBSA-N 2 0 264.335 2.680 20 0 CFADRP COc1ccccc1[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839715 648340191 /nfs/dbraw/zinc/34/01/91/648340191.db2.gz CPCSVJQOABQRIS-IAOVAPTHSA-N 2 0 274.408 2.878 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C12CCC2 ZINC000925841260 648340994 /nfs/dbraw/zinc/34/09/94/648340994.db2.gz ZZGLKCVBQYGFIA-APIJFGDWSA-N 2 0 292.373 2.895 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)s1 ZINC000925842958 648342063 /nfs/dbraw/zinc/34/20/63/648342063.db2.gz CQCPULJSASDBCW-OAHLLOKOSA-N 2 0 295.496 2.783 20 0 CFADRP CCC[C@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845290 648343378 /nfs/dbraw/zinc/34/33/78/648343378.db2.gz FYWXSXGSHGTAAS-IRXDYDNUSA-N 2 0 281.488 2.620 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925845287 648343493 /nfs/dbraw/zinc/34/34/93/648343493.db2.gz FYWXSXGSHGTAAS-IAGOWNOFSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)COC2 ZINC000925845520 648343571 /nfs/dbraw/zinc/34/35/71/648343571.db2.gz XYMQFNZDIHQVHI-MORSLUCNSA-N 2 0 286.419 2.900 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1N(C)C ZINC000925847832 648343811 /nfs/dbraw/zinc/34/38/11/648343811.db2.gz YMZGJCIBUDFZAS-ZTFGCOKTSA-N 2 0 287.451 2.935 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c1 ZINC000925848814 648344298 /nfs/dbraw/zinc/34/42/98/648344298.db2.gz LESLOMLXAPMZDA-KRWDZBQOSA-N 2 0 289.467 2.721 20 0 CFADRP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccs1 ZINC000925848148 648344409 /nfs/dbraw/zinc/34/44/09/648344409.db2.gz AXFZMCKTPOPTSZ-HNNXBMFYSA-N 2 0 295.496 2.864 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000925877921 648352753 /nfs/dbraw/zinc/35/27/53/648352753.db2.gz YIHSHOXWAYKTDZ-MJBXVCDLSA-N 2 0 292.423 2.790 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925877537 648352945 /nfs/dbraw/zinc/35/29/45/648352945.db2.gz RQBPVKBZVGPHMA-BMFZPTHFSA-N 2 0 276.424 2.733 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000925877541 648353341 /nfs/dbraw/zinc/35/33/41/648353341.db2.gz RVPFKOUEPRFYIJ-OUCADQQQSA-N 2 0 262.422 2.941 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccnn1-c1ccccc1 ZINC000925879494 648353934 /nfs/dbraw/zinc/35/39/34/648353934.db2.gz FTVYMBSGAYPJRN-KFWWJZLASA-N 2 0 284.407 2.650 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925879597 648353981 /nfs/dbraw/zinc/35/39/81/648353981.db2.gz AENUCQLZEYERQJ-YOEHRIQHSA-N 2 0 276.424 2.798 20 0 CFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@@H]3CC[C@H]([NH3+])C3)cc12 ZINC000925879911 648353987 /nfs/dbraw/zinc/35/39/87/648353987.db2.gz LVNHAWHYDRQIKT-UTUOFQBUSA-N 2 0 292.452 2.721 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925881701 648354596 /nfs/dbraw/zinc/35/45/96/648354596.db2.gz DRIBVGYEIXMZPB-MCIONIFRSA-N 2 0 286.423 2.601 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000925883514 648355335 /nfs/dbraw/zinc/35/53/35/648355335.db2.gz ZIBVPMWKZDKFNZ-TVFCKZIOSA-N 2 0 270.420 2.824 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000925883519 648355360 /nfs/dbraw/zinc/35/53/60/648355360.db2.gz ZIBVPMWKZDKFNZ-XLAORIBOSA-N 2 0 270.420 2.824 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000925883879 648355482 /nfs/dbraw/zinc/35/54/82/648355482.db2.gz YQSHFLUMRICZPU-NNYUYHANSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000925883877 648355532 /nfs/dbraw/zinc/35/55/32/648355532.db2.gz YQSHFLUMRICZPU-IRCOFANPSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000925887595 648356126 /nfs/dbraw/zinc/35/61/26/648356126.db2.gz HQQJWQQDFOEPSX-MAEOIBBWSA-N 2 0 270.420 2.824 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cnn(C)c1 ZINC000925887820 648356319 /nfs/dbraw/zinc/35/63/19/648356319.db2.gz NDNPDYSZFUFLRQ-OKZBNKHCSA-N 2 0 298.434 2.520 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000926113085 648406752 /nfs/dbraw/zinc/40/67/52/648406752.db2.gz BXBSWKUUXUUZSE-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118658 648409267 /nfs/dbraw/zinc/40/92/67/648409267.db2.gz APALRBKMZTWKGX-DEQQHWRFSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(C[NH+](C)C)c1 ZINC000926126031 648411290 /nfs/dbraw/zinc/41/12/90/648411290.db2.gz ONABHJVRFHIYOD-MELADBBJSA-N 2 0 264.413 2.558 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926142254 648415772 /nfs/dbraw/zinc/41/57/72/648415772.db2.gz OLHMTSXFBNHSCL-HUUCEWRRSA-N 2 0 276.424 2.825 20 0 CFADRP CSC1CC([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000926171234 648423212 /nfs/dbraw/zinc/42/32/12/648423212.db2.gz OMTNALXFDZSZEY-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926224944 648440152 /nfs/dbraw/zinc/44/01/52/648440152.db2.gz SSSRKMDZUOGUAC-MAZHCROVSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926230173 648442646 /nfs/dbraw/zinc/44/26/46/648442646.db2.gz ZBGMQEXVSVMNRL-CQSZACIVSA-N 2 0 276.424 2.561 20 0 CFADRP CCC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ncccc1Cl ZINC000926255535 648448730 /nfs/dbraw/zinc/44/87/30/648448730.db2.gz RRGSDYFXLVGLPM-CQSZACIVSA-N 2 0 299.846 2.744 20 0 CFADRP C([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311278 648459965 /nfs/dbraw/zinc/45/99/65/648459965.db2.gz XXHKMXQYRNTRIY-SJLPKXTDSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(C[NH+](C)C)c1 ZINC000926314582 648460798 /nfs/dbraw/zinc/46/07/98/648460798.db2.gz LRZVWDSGUZIHGT-UONOGXRCSA-N 2 0 264.413 2.560 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCOC[C@@H]2C)CC1 ZINC000926411232 648480432 /nfs/dbraw/zinc/48/04/32/648480432.db2.gz RHSHVNHQELQNPL-JKSUJKDBSA-N 2 0 282.472 2.759 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC[NH+](C)CC1 ZINC000926447302 648490882 /nfs/dbraw/zinc/49/08/82/648490882.db2.gz AGBRKYGHVBMDLK-RRFJBIMHSA-N 2 0 280.481 2.758 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C[NH+](C)C ZINC000926469948 648500126 /nfs/dbraw/zinc/50/01/26/648500126.db2.gz IMQOXQQSJUXKKS-GJZGRUSLSA-N 3 0 277.456 2.597 20 0 CFADRP CSC1CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000926487373 648505543 /nfs/dbraw/zinc/50/55/43/648505543.db2.gz NQOCKNHUQBUYPS-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926489961 648507743 /nfs/dbraw/zinc/50/77/43/648507743.db2.gz SAVZHUMMPSVCKQ-DYVFJYSZSA-N 2 0 276.424 2.824 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCCC[C@H]1CCCO)C1CC1 ZINC000926560974 648533957 /nfs/dbraw/zinc/53/39/57/648533957.db2.gz VHGKJBJGZZJULN-RDJZCZTQSA-N 2 0 282.472 2.782 20 0 CFADRP CSC1CC([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000926636697 648557937 /nfs/dbraw/zinc/55/79/37/648557937.db2.gz WNFJLFSWJVFTPG-VXLLPVPCSA-N 2 0 290.476 2.815 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000926665830 648566818 /nfs/dbraw/zinc/56/68/18/648566818.db2.gz NBSDMVSCJUYGBA-ONIAQPFYSA-N 2 0 287.451 2.723 20 0 CFADRP C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926678930 648572757 /nfs/dbraw/zinc/57/27/57/648572757.db2.gz WLNIQLHCCFABDV-XJKSGUPXSA-N 2 0 276.424 2.966 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926716526 648588522 /nfs/dbraw/zinc/58/85/22/648588522.db2.gz UIQJSPNJAHZSFF-MAUKXSAKSA-N 2 0 289.467 2.883 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926733217 648595513 /nfs/dbraw/zinc/59/55/13/648595513.db2.gz UAFRJWCYQCHEPT-OAHLLOKOSA-N 2 0 287.451 2.724 20 0 CFADRP CCC[C@H](CCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926779348 648612109 /nfs/dbraw/zinc/61/21/09/648612109.db2.gz WMXYIDBALYLHFR-RHSMWYFYSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926783148 648613922 /nfs/dbraw/zinc/61/39/22/648613922.db2.gz PFHSNZOHFGHDSO-FHIRATQRSA-N 2 0 276.424 2.965 20 0 CFADRP CSC1CC([NH2+]CCC2CC[NH+](C(C)C)CC2)C1 ZINC000926792101 648617985 /nfs/dbraw/zinc/61/79/85/648617985.db2.gz YKGYMWBQOOVAND-UHFFFAOYSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926913496 648655121 /nfs/dbraw/zinc/65/51/21/648655121.db2.gz SJBFIPRFXFLGDB-NDBYEHHHSA-N 2 0 294.361 2.559 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926917099 648657217 /nfs/dbraw/zinc/65/72/17/648657217.db2.gz SHTDYZRXVIAVCV-LPWJVIDDSA-N 2 0 294.361 2.559 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000926971797 648674495 /nfs/dbraw/zinc/67/44/95/648674495.db2.gz MWLGLDOYIRMLOT-DOMZBBRYSA-N 2 0 287.407 2.751 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)[C@H]2CCC[C@H]21 ZINC000927009005 648680827 /nfs/dbraw/zinc/68/08/27/648680827.db2.gz BCSNKOUYJQHKQT-VVLHAWIVSA-N 2 0 292.467 2.941 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000927015452 648683506 /nfs/dbraw/zinc/68/35/06/648683506.db2.gz IOULJQSNGKAOAS-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCS1 ZINC000927030060 648688662 /nfs/dbraw/zinc/68/86/62/648688662.db2.gz HFAXGNIYAHRYGF-WFASDCNBSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCS1 ZINC000927030058 648688682 /nfs/dbraw/zinc/68/86/82/648688682.db2.gz HFAXGNIYAHRYGF-IUODEOHRSA-N 2 0 268.470 2.735 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000927035493 648688862 /nfs/dbraw/zinc/68/88/62/648688862.db2.gz AKRFDINUAAEMBN-ISXOHVOVSA-N 2 0 288.439 2.784 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCOC1 ZINC000927036821 648689307 /nfs/dbraw/zinc/68/93/07/648689307.db2.gz GSKDGAAYWNQTLG-NUWOQIAWSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037309 648689585 /nfs/dbraw/zinc/68/95/85/648689585.db2.gz JBLDAMOGQYLZNT-BZOOQXSSSA-N 2 0 290.455 2.786 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@]1(C)CCCO1 ZINC000927038374 648689782 /nfs/dbraw/zinc/68/97/82/648689782.db2.gz QBEKUIDYEJVXQE-OTBWCIGPSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000927036888 648689862 /nfs/dbraw/zinc/68/98/62/648689862.db2.gz HFZAFQNLDUOZDD-SHARSMKWSA-N 2 0 268.470 2.879 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038941 648690600 /nfs/dbraw/zinc/69/06/00/648690600.db2.gz SJMBWXLHFNRKLT-JPQBHMHHSA-N 2 0 280.456 2.654 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@@H](C)C1 ZINC000927120618 648719848 /nfs/dbraw/zinc/71/98/48/648719848.db2.gz VRXXLRDRJHXLPS-MLHJIOFPSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000927767741 648829019 /nfs/dbraw/zinc/82/90/19/648829019.db2.gz JBXRESJLOUAPRE-INIZCTEOSA-N 2 0 289.423 2.607 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000929327728 649031980 /nfs/dbraw/zinc/03/19/80/649031980.db2.gz MXYHBGJNKFEXMX-QLPKVWCKSA-N 2 0 282.472 2.854 20 0 CFADRP Cc1nnsc1[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000929506822 649063241 /nfs/dbraw/zinc/06/32/41/649063241.db2.gz OBSOFSZXQHBNGY-ZDUSSCGKSA-N 2 0 296.484 2.960 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOC2CC2)C1 ZINC000929644917 649085083 /nfs/dbraw/zinc/08/50/83/649085083.db2.gz XYMUEVGALZRXQX-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOC2CC2)C1 ZINC000929644920 649085640 /nfs/dbraw/zinc/08/56/40/649085640.db2.gz XYMUEVGALZRXQX-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929688178 649096512 /nfs/dbraw/zinc/09/65/12/649096512.db2.gz QRKBTORMWDSNEP-PMPSAXMXSA-N 2 0 250.430 2.983 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000929747939 649110684 /nfs/dbraw/zinc/11/06/84/649110684.db2.gz GNSBHAXGOCSNLL-TWMKSMIVSA-N 2 0 282.472 2.854 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](COC)C(C)C)CC1 ZINC000929777198 649118426 /nfs/dbraw/zinc/11/84/26/649118426.db2.gz IHZZTWPBEROSHZ-OAHLLOKOSA-N 2 0 270.461 2.711 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000929777322 649118624 /nfs/dbraw/zinc/11/86/24/649118624.db2.gz BOCYHLZUURJZBA-VVLHAWIVSA-N 2 0 282.472 2.854 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C[C@H](C)O1 ZINC000929849097 649138897 /nfs/dbraw/zinc/13/88/97/649138897.db2.gz WDSLXRROJLAZCC-DRRXZNNHSA-N 2 0 280.456 2.606 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000929998011 649162828 /nfs/dbraw/zinc/16/28/28/649162828.db2.gz ALWGVWCUQASJST-FIDHJVLJSA-N 2 0 282.472 2.852 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000930310502 649227902 /nfs/dbraw/zinc/22/79/02/649227902.db2.gz GYUCIHTXOJWPAI-ZSHCYNCHSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930577000 649279251 /nfs/dbraw/zinc/27/92/51/649279251.db2.gz OSGOBLJGUIHZEG-IRXDYDNUSA-N 2 0 292.467 2.896 20 0 CFADRP CO[C@H](C[NH+]1CCC(C)([NH+](C)C)CC1)C1CCCCC1 ZINC000931355048 649413849 /nfs/dbraw/zinc/41/38/49/649413849.db2.gz OBKNPVZWEVJENM-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCOc3cccc(Cl)c3)C[C@@H]2C1 ZINC000931429793 649425080 /nfs/dbraw/zinc/42/50/80/649425080.db2.gz IIGFGEWJHUOQOR-KGLIPLIRSA-N 2 0 294.826 2.602 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(C)s1 ZINC000931433611 649426793 /nfs/dbraw/zinc/42/67/93/649426793.db2.gz FBOZLTNMGQTMRD-HIFRSBDPSA-N 2 0 264.438 2.748 20 0 CFADRP CC1CCC(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)CC1 ZINC000931438782 649427753 /nfs/dbraw/zinc/42/77/53/649427753.db2.gz ZYBYBQIFMFTTPZ-SSHXOBKSSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)CC(C)(C)C ZINC000931442669 649428940 /nfs/dbraw/zinc/42/89/40/649428940.db2.gz LJXPUNRJQCGIJQ-SOUVJXGZSA-N 2 0 252.446 2.942 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4ncccc34)C[C@@H]2C1 ZINC000931443250 649429011 /nfs/dbraw/zinc/42/90/11/649429011.db2.gz UZCWMTNGTIGQPU-ZBFHGGJFSA-N 2 0 281.403 2.618 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCc3nccc(N)c3C2)C1 ZINC000931518231 649446381 /nfs/dbraw/zinc/44/63/81/649446381.db2.gz JFCLLZZLTRLQBT-OLZOCXBDSA-N 2 0 259.397 2.848 20 0 CFADRP COc1ccc(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1C ZINC000931718964 649477896 /nfs/dbraw/zinc/47/78/96/649477896.db2.gz YDJJXKRWRKCRJF-CVEARBPZSA-N 2 0 274.408 2.672 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCCC2(CCC2)O1 ZINC000931718930 649478555 /nfs/dbraw/zinc/47/85/55/649478555.db2.gz FAGRDEMNFRQKNM-XHSDSOJGSA-N 2 0 278.440 2.647 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCc1ccccc1 ZINC000931725672 649480140 /nfs/dbraw/zinc/48/01/40/649480140.db2.gz CCMABAYQHJDIPR-DLBZAZTESA-N 2 0 258.409 2.788 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931808385 649493199 /nfs/dbraw/zinc/49/31/99/649493199.db2.gz FIPFHAKPNNISHA-WMZOPIPTSA-N 2 0 298.430 2.729 20 0 CFADRP C[C@@H](COCC1CCCCC1)[NH2+]CCCc1cncn1C ZINC000932422501 649597052 /nfs/dbraw/zinc/59/70/52/649597052.db2.gz KXGKUNXXHWPOFX-HNNXBMFYSA-N 2 0 293.455 2.928 20 0 CFADRP CC(C)C[C@@H]1C[N@H+](C)CCN1CCC[NH+]1CCCCC1 ZINC000933251994 649682905 /nfs/dbraw/zinc/68/29/05/649682905.db2.gz NWRFCKDXGKCHGD-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1nccn1CCC[N@H+](Cc1ccoc1)C1CC1 ZINC000934001711 649739864 /nfs/dbraw/zinc/73/98/64/649739864.db2.gz IDJXXXLYZNMSKY-UHFFFAOYSA-N 2 0 259.353 2.839 20 0 CFADRP c1csc(C[C@H]2CCN(CCC[NH+]3CCCCC3)C2)n1 ZINC000934332412 649775159 /nfs/dbraw/zinc/77/51/59/649775159.db2.gz KJQGIISWUXKHJA-OAHLLOKOSA-N 2 0 293.480 2.884 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421799160 651097349 /nfs/dbraw/zinc/09/73/49/651097349.db2.gz DHIRDGIIAMBCNF-OAHLLOKOSA-N 2 0 275.440 2.506 20 0 CFADRP Cc1[nH+]c(N2CC[NH+](C3CCCC3)CC2)cc2[nH]ccc21 ZINC001165032680 721858949 /nfs/dbraw/zinc/85/89/49/721858949.db2.gz ZTNVCPFYDIZFDW-UHFFFAOYSA-N 2 0 284.407 2.936 20 0 CFADRP CCOc1cc[nH+]c(N2CCC([NH+](CC)CC)CC2)c1 ZINC001165054362 722002702 /nfs/dbraw/zinc/00/27/02/722002702.db2.gz ZPBVGHAUBUYGLE-UHFFFAOYSA-N 2 0 277.412 2.791 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713216470 782207705 /nfs/dbraw/zinc/20/77/05/782207705.db2.gz LAIJXUKJADSOQW-LBPRGKRZSA-N 2 0 258.356 2.640 20 0 CFADRP Nc1ncccc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001243478039 782226700 /nfs/dbraw/zinc/22/67/00/782226700.db2.gz XXDJNFIPOCUVJH-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000382328914 770209442 /nfs/dbraw/zinc/20/94/42/770209442.db2.gz XTVYEADGFJHEPJ-LMPOIIKSSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000723959909 770721454 /nfs/dbraw/zinc/72/14/54/770721454.db2.gz SWUNMMDRWJARGC-SLTXQBBLSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000690734769 778922949 /nfs/dbraw/zinc/92/29/49/778922949.db2.gz FMJRIAZGRJPJAS-SECBINFHSA-N 2 0 289.242 2.681 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000128498521 778531076 /nfs/dbraw/zinc/53/10/76/778531076.db2.gz XNISVRZUCYWISE-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)(CO)C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277967935 778558789 /nfs/dbraw/zinc/55/87/89/778558789.db2.gz LVEHASDLYRNGGM-UHFFFAOYSA-N 2 0 294.483 2.735 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206760287 769843737 /nfs/dbraw/zinc/84/37/37/769843737.db2.gz CGNKKGGZTJHULG-ZBFHGGJFSA-N 2 0 276.424 2.687 20 0 CFADRP CC[NH+]1CCC(C[N@H+](C)Cc2cccc3c2OCO3)CC1 ZINC001208603573 769909936 /nfs/dbraw/zinc/90/99/36/769909936.db2.gz DYKDVLVAKNAZAR-UHFFFAOYSA-N 2 0 290.407 2.579 20 0 CFADRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001208736031 769932354 /nfs/dbraw/zinc/93/23/54/769932354.db2.gz VWRFNMHSLFEKJY-KRWDZBQOSA-N 2 0 282.472 2.998 20 0 CFADRP CCOC(C)(C)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001209072463 769990511 /nfs/dbraw/zinc/99/05/11/769990511.db2.gz KQOIAUBVPMBGDO-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)c1nc(C[NH2+]CC2(C)CC[NH2+]CC2)cs1 ZINC000705574049 770009770 /nfs/dbraw/zinc/00/97/70/770009770.db2.gz FLPCUBNOYZZRMV-UHFFFAOYSA-N 2 0 267.442 2.746 20 0 CFADRP COCC[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001209212051 770017840 /nfs/dbraw/zinc/01/78/40/770017840.db2.gz QFQTWRBJLLDUQM-MRXNPFEDSA-N 2 0 292.423 2.602 20 0 CFADRP Cc1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]c1C ZINC001167208296 770142109 /nfs/dbraw/zinc/14/21/09/770142109.db2.gz PIFINJJVKGESAQ-MJGOQNOKSA-N 2 0 293.414 2.676 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000397594067 770267052 /nfs/dbraw/zinc/26/70/52/770267052.db2.gz KVDJRYIKWGSMDO-QGZVFWFLSA-N 2 0 290.476 2.994 20 0 CFADRP [NH3+]Cc1cnc2c(ccn2-c2cc[nH+]c(C3CC3)c2)c1 ZINC001167316358 770277801 /nfs/dbraw/zinc/27/78/01/770277801.db2.gz RDRZSUDOOXARGP-UHFFFAOYSA-N 2 0 264.332 2.757 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723618178 770620297 /nfs/dbraw/zinc/62/02/97/770620297.db2.gz HWMUSEMTUBEVNS-ARFHVFGLSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723623431 770622938 /nfs/dbraw/zinc/62/29/38/770622938.db2.gz ZFYJEXVAXZMXSZ-BRWVUGGUSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723696816 770651823 /nfs/dbraw/zinc/65/18/23/770651823.db2.gz YFBGTNXEGQMEEQ-CYBMUJFWSA-N 2 0 258.365 2.912 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000723900859 770709219 /nfs/dbraw/zinc/70/92/19/770709219.db2.gz CZJXBSJJBLOWOU-CHWSQXEVSA-N 2 0 282.428 2.835 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@@H]1CCCOC1 ZINC000724015785 770753741 /nfs/dbraw/zinc/75/37/41/770753741.db2.gz WYOFXVSZADVVIH-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001207275084 770863354 /nfs/dbraw/zinc/86/33/54/770863354.db2.gz JMAJKGLCAYWLQB-KRWDZBQOSA-N 2 0 289.467 2.563 20 0 CFADRP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693592337 770920564 /nfs/dbraw/zinc/92/05/64/770920564.db2.gz QGRHISTZXXICJJ-WAAGHKOSSA-N 2 0 289.242 2.680 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001204598099 773205396 /nfs/dbraw/zinc/20/53/96/773205396.db2.gz GPRUFNYEIHKALS-CQSZACIVSA-N 2 0 283.419 2.976 20 0 CFADRP C[C@@]1(C[NH+]2CCC(F)(C3CC3)CC2)CCC[NH2+]C1 ZINC000724845421 775146005 /nfs/dbraw/zinc/14/60/05/775146005.db2.gz SMKOZSAQWGYAQF-CQSZACIVSA-N 2 0 254.393 2.590 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721565581 775236909 /nfs/dbraw/zinc/23/69/09/775236909.db2.gz YVTHXNZSESQMLY-ZIAGYGMSSA-N 2 0 270.461 2.758 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721565577 775237594 /nfs/dbraw/zinc/23/75/94/775237594.db2.gz YVTHXNZSESQMLY-KGLIPLIRSA-N 2 0 270.461 2.758 20 0 CFADRP CSCc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1 ZINC000725113044 775274746 /nfs/dbraw/zinc/27/47/46/775274746.db2.gz MAACQSONOJZEGY-OAHLLOKOSA-N 2 0 264.438 2.733 20 0 CFADRP CSCc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000725120268 775277984 /nfs/dbraw/zinc/27/79/84/775277984.db2.gz IKMWJMJIKMSJAW-UHFFFAOYSA-N 2 0 276.449 2.901 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCC[NH+]1CCCCC1)C2 ZINC001224854187 775291177 /nfs/dbraw/zinc/29/11/77/775291177.db2.gz BLFGISGINNMNRZ-ZSHCYNCHSA-N 2 0 266.429 2.504 20 0 CFADRP C(CCC1CC[NH2+]CC1)CO[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001217802098 775304173 /nfs/dbraw/zinc/30/41/73/775304173.db2.gz MDXQGGFWESOBRO-DLBZAZTESA-N 2 0 280.456 2.705 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](OCCCC[NH+](C)C)C1 ZINC001224990645 775326979 /nfs/dbraw/zinc/32/69/79/775326979.db2.gz DDIPTPZRODZATO-JKSUJKDBSA-N 2 0 291.439 2.575 20 0 CFADRP C[NH+](C)Cc1ccc(OC2CC[NH+](C3CC3)CC2)cc1 ZINC001225332490 775415930 /nfs/dbraw/zinc/41/59/30/775415930.db2.gz LDVFQPBGHXPWBM-UHFFFAOYSA-N 2 0 274.408 2.754 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721627316 775456741 /nfs/dbraw/zinc/45/67/41/775456741.db2.gz IUDJEYOJEUZZIM-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708851995 775519123 /nfs/dbraw/zinc/51/91/23/775519123.db2.gz WIZMZSHZVPSHDI-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708851998 775519191 /nfs/dbraw/zinc/51/91/91/775519191.db2.gz WIZMZSHZVPSHDI-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000924596766 775672430 /nfs/dbraw/zinc/67/24/30/775672430.db2.gz BWFDENXNPGQSKF-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+]1CCC(CC[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC001207487176 776020910 /nfs/dbraw/zinc/02/09/10/776020910.db2.gz RPSPDJXJWZYNGG-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(C[NH+](C)C)cn1 ZINC001167751030 776078036 /nfs/dbraw/zinc/07/80/36/776078036.db2.gz DOIRJMBOSGXDGN-OAHLLOKOSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001167753171 776087093 /nfs/dbraw/zinc/08/70/93/776087093.db2.gz LWUYZMBCLGAXTL-LBPRGKRZSA-N 2 0 287.411 2.822 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccccc1CC[NH3+] ZINC001167754569 776090691 /nfs/dbraw/zinc/09/06/91/776090691.db2.gz ZJPSFKMPJKXKNT-HNNXBMFYSA-N 2 0 275.440 2.864 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000194011252 776137635 /nfs/dbraw/zinc/13/76/35/776137635.db2.gz FVKKMGIIXLKTEU-INIZCTEOSA-N 2 0 266.429 2.733 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000709466920 776141277 /nfs/dbraw/zinc/14/12/77/776141277.db2.gz STRCWJUYKRAYRG-SMDDNHRTSA-N 2 0 252.789 2.912 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925700782 776168676 /nfs/dbraw/zinc/16/86/76/776168676.db2.gz WIJYQBLKLVIERI-HRCADAONSA-N 2 0 271.408 2.506 20 0 CFADRP Cc1nc2cc(O[C@H]3CCC[N@@H+](C)CC3)ccc2[nH]1 ZINC001228326671 776461033 /nfs/dbraw/zinc/46/10/33/776461033.db2.gz JXTZAJFJIGSEOT-LBPRGKRZSA-N 2 0 259.353 2.734 20 0 CFADRP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CCC([NH3+])CC1 ZINC000399369546 776528694 /nfs/dbraw/zinc/52/86/94/776528694.db2.gz RNGJIVIKAUBLMW-KPPDAEKUSA-N 2 0 265.228 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC001167825239 776545512 /nfs/dbraw/zinc/54/55/12/776545512.db2.gz IKDORQKRWCWEEF-QGZVFWFLSA-N 3 0 283.504 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CCOC)C(C)C ZINC001167826553 776547946 /nfs/dbraw/zinc/54/79/46/776547946.db2.gz QBWPBWGWNUXUJJ-HNNXBMFYSA-N 2 0 258.450 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC001167826828 776548075 /nfs/dbraw/zinc/54/80/75/776548075.db2.gz RKZXQHZALBGZHS-CVEARBPZSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC)C1 ZINC001167833354 776568404 /nfs/dbraw/zinc/56/84/04/776568404.db2.gz AIEBUEQCTLXFBX-OWCLPIDISA-N 2 0 298.471 2.628 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](C)C1 ZINC001167833352 776569361 /nfs/dbraw/zinc/56/93/61/776569361.db2.gz AIEBUEQCTLXFBX-HRCADAONSA-N 2 0 298.471 2.628 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC001167838308 776588593 /nfs/dbraw/zinc/58/85/93/776588593.db2.gz STIWUMRESBEIGC-HZPDHXFCSA-N 2 0 270.461 2.591 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC001167837466 776589090 /nfs/dbraw/zinc/58/90/90/776589090.db2.gz KZLZNOTZNCNRQQ-OAHLLOKOSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOC[C@H]1C(C)C ZINC001167838219 776589306 /nfs/dbraw/zinc/58/93/06/776589306.db2.gz SBDCFSHPNZGKMQ-CVEARBPZSA-N 2 0 270.461 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001167838166 776589437 /nfs/dbraw/zinc/58/94/37/776589437.db2.gz RBRDLHGSJZKIOK-HRCADAONSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC001167839482 776590974 /nfs/dbraw/zinc/59/09/74/776590974.db2.gz YAXCXGNHPJJGQN-JKSUJKDBSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001167838953 776591713 /nfs/dbraw/zinc/59/17/13/776591713.db2.gz XGHOXZQNIUWYNN-DZGCQCFKSA-N 2 0 294.443 2.678 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CCC(=O)OC)C1CC1 ZINC001167841764 776607302 /nfs/dbraw/zinc/60/73/02/776607302.db2.gz QJIXTCZWVDPSGV-AWEZNQCLSA-N 2 0 284.444 2.524 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1cnc(C)nc1 ZINC001167841827 776607686 /nfs/dbraw/zinc/60/76/86/776607686.db2.gz RWAHNTZKIFUSJB-AWEZNQCLSA-N 2 0 278.444 2.727 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001167841911 776609860 /nfs/dbraw/zinc/60/98/60/776609860.db2.gz UISQSEJQCOZBGW-SJORKVTESA-N 2 0 283.504 2.911 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228943716 776666594 /nfs/dbraw/zinc/66/65/94/776666594.db2.gz IRNKGDIJOZEEAE-GOSISDBHSA-N 2 0 288.435 2.926 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC ZINC001229173722 776742829 /nfs/dbraw/zinc/74/28/29/776742829.db2.gz GHXXFQSPFLGYQN-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167908568 776826669 /nfs/dbraw/zinc/82/66/69/776826669.db2.gz HLAYAEFUGCHVNX-ZSHCYNCHSA-N 2 0 274.408 2.515 20 0 CFADRP CCCC[NH+]1CCC(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167911824 776834208 /nfs/dbraw/zinc/83/42/08/776834208.db2.gz DFYZMOKYXBSOPO-ZSHCYNCHSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H](c1cccc(O[C@H]2C[NH+]3CCC2CC3)c1)[NH+](C)C ZINC001229627415 776859306 /nfs/dbraw/zinc/85/93/06/776859306.db2.gz QEWQJTHWDONDLN-GUYCJALGSA-N 2 0 274.408 2.782 20 0 CFADRP C[NH+](C)Cc1ccccc1OC1CCC([NH+](C)C)CC1 ZINC001229698918 776875324 /nfs/dbraw/zinc/87/53/24/776875324.db2.gz ILTGRKMJFSXAOH-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917203 776894155 /nfs/dbraw/zinc/89/41/55/776894155.db2.gz LFCWIEGTRLRKLW-ZSHCYNCHSA-N 2 0 250.430 2.743 20 0 CFADRP C[NH+](C)Cc1cc(F)ccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229854393 776905325 /nfs/dbraw/zinc/90/53/25/776905325.db2.gz MTSPISUOGYCBPC-OAHLLOKOSA-N 2 0 280.387 2.750 20 0 CFADRP CC[C@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092874372 776912589 /nfs/dbraw/zinc/91/25/89/776912589.db2.gz RXRCEOFVEVROFG-GOEBONIOSA-N 2 0 259.397 2.782 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167919146 776919235 /nfs/dbraw/zinc/91/92/35/776919235.db2.gz UCXLMWNWDXNIGN-ITTAAEBISA-N 2 0 285.435 2.952 20 0 CFADRP C[C@H]1CC([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@H](C)C1 ZINC000710014867 777002333 /nfs/dbraw/zinc/00/23/33/777002333.db2.gz LRSGNQMFCVIDFR-FMKPAKJESA-N 2 0 250.430 2.887 20 0 CFADRP Cc1c[nH+]ccc1N([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001167947539 777150141 /nfs/dbraw/zinc/15/01/41/777150141.db2.gz BBXPYTKAPUZFHZ-FOLVSLTJSA-N 2 0 271.408 2.747 20 0 CFADRP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(C)cc3C)C[C@@H]2C1 ZINC001231484985 777234227 /nfs/dbraw/zinc/23/42/27/777234227.db2.gz BRTGXIPACDXSDD-ROUUACIJSA-N 2 0 272.436 2.995 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)cc3C)C[C@H]2C1 ZINC001231484983 777234900 /nfs/dbraw/zinc/23/49/00/777234900.db2.gz BRTGXIPACDXSDD-QZTJIDSGSA-N 2 0 272.436 2.995 20 0 CFADRP CC(C)Oc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC001231533426 777255939 /nfs/dbraw/zinc/25/59/39/777255939.db2.gz NOKWFHPGUSDGJW-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168406843 777357544 /nfs/dbraw/zinc/35/75/44/777357544.db2.gz JZJTXFATOCYKNL-DLBZAZTESA-N 2 0 276.399 2.757 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168406844 777357782 /nfs/dbraw/zinc/35/77/82/777357782.db2.gz JZJTXFATOCYKNL-IAGOWNOFSA-N 2 0 276.399 2.757 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000335032798 777374425 /nfs/dbraw/zinc/37/44/25/777374425.db2.gz APUDANVCGBYPSD-INIZCTEOSA-N 2 0 299.462 2.936 20 0 CFADRP C[N@H+](C1CC1)C1CCN(Cc2cccc3c[nH]nc32)CC1 ZINC001231975083 777399117 /nfs/dbraw/zinc/39/91/17/777399117.db2.gz DDKHTTRWLQLNHM-UHFFFAOYSA-N 2 0 284.407 2.622 20 0 CFADRP CC1(C)C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)O1 ZINC001167965708 777406061 /nfs/dbraw/zinc/40/60/61/777406061.db2.gz LRYJSZMQVBJMFV-UYTSQGDYSA-N 2 0 278.440 2.549 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCO1 ZINC001167965470 777406232 /nfs/dbraw/zinc/40/62/32/777406232.db2.gz HAOUVQNQVGSSON-MGNMYUMUSA-N 2 0 292.467 2.939 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232011506 777410820 /nfs/dbraw/zinc/41/08/20/777410820.db2.gz DXFGYJAZLYNBCP-BLLLJJGKSA-N 2 0 271.364 2.564 20 0 CFADRP O[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167969339 777431193 /nfs/dbraw/zinc/43/11/93/777431193.db2.gz BJUKBDOEFVHQJP-QCLGFWRNSA-N 2 0 292.467 2.533 20 0 CFADRP CC[NH+](CC)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981652 777450510 /nfs/dbraw/zinc/45/05/10/777450510.db2.gz DCWRWBCVUBICEL-JWTNVVGKSA-N 2 0 293.499 2.665 20 0 CFADRP CCC1(O)CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232146144 777450904 /nfs/dbraw/zinc/45/09/04/777450904.db2.gz JJBOJTKDNCKGCE-UHFFFAOYSA-N 2 0 294.414 2.624 20 0 CFADRP Cc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc(C)[nH+]1 ZINC001167985582 777471942 /nfs/dbraw/zinc/47/19/42/777471942.db2.gz HPEPRFUENBIVGI-UHFFFAOYSA-N 2 0 281.359 2.849 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204748675 777481552 /nfs/dbraw/zinc/48/15/52/777481552.db2.gz OZNAUKUIVRZNCX-HZPDHXFCSA-N 2 0 268.445 2.809 20 0 CFADRP F[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167991468 777522049 /nfs/dbraw/zinc/52/20/49/777522049.db2.gz AWMNMXHOIKNTKN-JZWPEALZSA-N 2 0 266.404 2.826 20 0 CFADRP CC(C)(O)[C@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995303 777529618 /nfs/dbraw/zinc/52/96/18/777529618.db2.gz ZPPNVZRCINXVHB-FCLJQHQZSA-N 2 0 292.467 2.627 20 0 CFADRP CCCO[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167996127 777534519 /nfs/dbraw/zinc/53/45/19/777534519.db2.gz WZNJOQMIAADVSU-WFFDWFOESA-N 2 0 292.467 2.893 20 0 CFADRP c1[nH]nc2c1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340474656 777555866 /nfs/dbraw/zinc/55/58/66/777555866.db2.gz SZKDQBYSJDXIKZ-HNNXBMFYSA-N 2 0 276.428 2.643 20 0 CFADRP C[C@H]1CC([NH2+]C2CC(O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006919 777583965 /nfs/dbraw/zinc/58/39/65/777583965.db2.gz PPERTPQXSVVHDZ-DIOPXHOYSA-N 2 0 288.435 2.541 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)[C@@H](C)C1 ZINC000339096387 777584169 /nfs/dbraw/zinc/58/41/69/777584169.db2.gz MNBIPTGYUCLVNV-TWMKSMIVSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+]CC[C@H]1C[N@H+](CCC23CC4CC(CC(C4)C2)C3)CCO1 ZINC001204756285 777586211 /nfs/dbraw/zinc/58/62/11/777586211.db2.gz MQRTWSFFJKXFLN-LESVLKBLSA-N 2 0 292.467 2.643 20 0 CFADRP C[NH+]1CCC2(CCN(Cc3c(Cl)ccnc3F)C2)CC1 ZINC001232618643 777619145 /nfs/dbraw/zinc/61/91/45/777619145.db2.gz CYYLYNLNTLTINM-UHFFFAOYSA-N 2 0 297.805 2.792 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4ncsc4c3)C[C@@H]2C1 ZINC001232740298 777653666 /nfs/dbraw/zinc/65/36/66/777653666.db2.gz NASGXAHWCACSNJ-KGLIPLIRSA-N 2 0 287.432 2.680 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3c[nH]c4ccc(O)cc34)C2)CC1 ZINC001232871143 777699848 /nfs/dbraw/zinc/69/98/48/777699848.db2.gz MLDCHUJIJLPZFY-UHFFFAOYSA-N 2 0 299.418 2.791 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC001233316613 777880146 /nfs/dbraw/zinc/88/01/46/777880146.db2.gz RGWDQPBOPZAXTR-UHFFFAOYSA-N 2 0 268.788 2.851 20 0 CFADRP C[C@]1([NH3+])CCN(Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001204801199 777995889 /nfs/dbraw/zinc/99/58/89/777995889.db2.gz LFHPEGSFEVALSU-SFHVURJKSA-N 2 0 282.387 2.982 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168090576 778015203 /nfs/dbraw/zinc/01/52/03/778015203.db2.gz FMSDOKDMZQIUGD-BFHYXJOUSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC001168090662 778016758 /nfs/dbraw/zinc/01/67/58/778016758.db2.gz GGNSJHBDTJOWAK-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277796851 778020667 /nfs/dbraw/zinc/02/06/67/778020667.db2.gz KIVKRPULPNJBKV-GASCZTMLSA-N 2 0 261.413 2.567 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168093561 778026527 /nfs/dbraw/zinc/02/65/27/778026527.db2.gz NJDYPPYJXNPVGO-HIFRSBDPSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)C1CC[NH+](C)CC1 ZINC000697140846 778066892 /nfs/dbraw/zinc/06/68/92/778066892.db2.gz NAOAOSGGOCBKCK-LLVKDONJSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001168120608 778093325 /nfs/dbraw/zinc/09/33/25/778093325.db2.gz XKAUZSRXIGXIEL-NVXWUHKLSA-N 2 0 292.467 2.894 20 0 CFADRP COc1ccc2[nH+]c(C)cc(NC3(C)CC[NH2+]CC3)c2c1 ZINC001168188380 778230911 /nfs/dbraw/zinc/23/09/11/778230911.db2.gz TTXBIWYGTGSYKL-UHFFFAOYSA-N 2 0 285.391 2.528 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001168188742 778231995 /nfs/dbraw/zinc/23/19/95/778231995.db2.gz NXJHFFOMWYAHIS-YUELXQCFSA-N 2 0 278.827 2.764 20 0 CFADRP CC1CCC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001168205992 778251245 /nfs/dbraw/zinc/25/12/45/778251245.db2.gz OKVALSKSSIWGBN-UHFFFAOYSA-N 2 0 287.451 2.996 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001168245463 778270218 /nfs/dbraw/zinc/27/02/18/778270218.db2.gz ZPKMJRBHMUAEOH-BBWFWOEESA-N 2 0 288.435 2.625 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000721251115 778293011 /nfs/dbraw/zinc/29/30/11/778293011.db2.gz APRYWENXMPCOHS-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP CSc1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234983148 778347571 /nfs/dbraw/zinc/34/75/71/778347571.db2.gz YEZIEJASNAXAAN-TXEJJXNPSA-N 2 0 282.840 2.713 20 0 CFADRP CCN1CCc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc21 ZINC001234996740 778348432 /nfs/dbraw/zinc/34/84/32/778348432.db2.gz DCGIRLIOSZWOBF-LJQANCHMSA-N 2 0 299.462 2.645 20 0 CFADRP Oc1ccc(-c2ccc(CN3CC[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC001235006394 778351326 /nfs/dbraw/zinc/35/13/26/778351326.db2.gz NGXBZHRZGVYQNY-PKOBYXMFSA-N 2 0 294.398 2.853 20 0 CFADRP Cc1ccc2ccccc2c1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025123 778357430 /nfs/dbraw/zinc/35/74/30/778357430.db2.gz WGDUAEMNRPMVQO-UHFFFAOYSA-N 2 0 266.388 2.944 20 0 CFADRP c1cc2c(cc1C[NH+]1CC3(C1)CCCC3)CC[NH2+]C2 ZINC001235026678 778357837 /nfs/dbraw/zinc/35/78/37/778357837.db2.gz PPSBLHPEAAXBKZ-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc2c1NCC2 ZINC001235041077 778363230 /nfs/dbraw/zinc/36/32/30/778363230.db2.gz XQFVKUUYXSACGX-SFHVURJKSA-N 2 0 285.435 2.763 20 0 CFADRP COc1cc(C)ccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235134751 778395071 /nfs/dbraw/zinc/39/50/71/778395071.db2.gz CNEOZKDJYBKCRS-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[NH+]2CCC3(CCCC3)CC2)CO1 ZINC001235154057 778398721 /nfs/dbraw/zinc/39/87/21/778398721.db2.gz HOMCPTODGMDGKS-AWEZNQCLSA-N 2 0 266.429 2.757 20 0 CFADRP COc1cccc(CCN2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235172408 778403447 /nfs/dbraw/zinc/40/34/47/778403447.db2.gz MNKNDWLEFNXRPR-SFHVURJKSA-N 2 0 288.435 2.846 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC001235186913 778406847 /nfs/dbraw/zinc/40/68/47/778406847.db2.gz PABZKOWPJWIUJI-OWCLPIDISA-N 2 0 262.441 2.910 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235192874 778409406 /nfs/dbraw/zinc/40/94/06/778409406.db2.gz GAJJJCZCABJVLF-ZIAGYGMSSA-N 2 0 298.352 2.789 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2(c3ccccn3)CC2)CC1 ZINC001168298808 778412716 /nfs/dbraw/zinc/41/27/16/778412716.db2.gz DHRNRPHSWLYWJX-UHFFFAOYSA-N 2 0 273.424 2.576 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC001168300481 778416240 /nfs/dbraw/zinc/41/62/40/778416240.db2.gz WUONZAYROWQRFQ-OFLPRAFFSA-N 2 0 273.424 2.995 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(COc4ccccc4)cc3)C[C@H]21 ZINC001235210606 778416543 /nfs/dbraw/zinc/41/65/43/778416543.db2.gz OODQKLHGCHTCOU-BWTSREIZSA-N 2 0 294.398 2.655 20 0 CFADRP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c(C)c1C ZINC001235210137 778416801 /nfs/dbraw/zinc/41/68/01/778416801.db2.gz KZPVXXDPRVXQLF-FVQHAEBGSA-N 2 0 258.409 2.618 20 0 CFADRP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168304986 778418753 /nfs/dbraw/zinc/41/87/53/778418753.db2.gz FGJBOAPYCFWPJS-JWMHWRSXSA-N 2 0 296.455 2.571 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235224478 778421015 /nfs/dbraw/zinc/42/10/15/778421015.db2.gz MGLULBMHGARLKM-QZTJIDSGSA-N 2 0 299.462 2.718 20 0 CFADRP Fc1cccnc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235229402 778422894 /nfs/dbraw/zinc/42/28/94/778422894.db2.gz LYAOMUWCINZBIF-HNNXBMFYSA-N 2 0 277.387 2.575 20 0 CFADRP c1cncc(CCC[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235231259 778422994 /nfs/dbraw/zinc/42/29/94/778422994.db2.gz DTMPSGFPWVOWFV-GOSISDBHSA-N 2 0 287.451 2.868 20 0 CFADRP c1ccc(OCC[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235233494 778423600 /nfs/dbraw/zinc/42/36/00/778423600.db2.gz QYDRIDKUWIEGGN-GOSISDBHSA-N 2 0 288.435 2.920 20 0 CFADRP FC(F)(F)CC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234319 778424237 /nfs/dbraw/zinc/42/42/37/778424237.db2.gz XQJMXJNDQBWKBV-GFCCVEGCSA-N 2 0 264.335 2.793 20 0 CFADRP COc1ccc2c(c1)CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168313648 778424260 /nfs/dbraw/zinc/42/42/60/778424260.db2.gz FSGRTWSSUDUKJS-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCc3c(O)cccc3C2)CC1 ZINC001168313419 778425869 /nfs/dbraw/zinc/42/58/69/778425869.db2.gz CAWJSNGYJDFOPE-UHFFFAOYSA-N 2 0 274.408 2.623 20 0 CFADRP CCOC[C@@]12CCC[C@@H]1C[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168319821 778428902 /nfs/dbraw/zinc/42/89/02/778428902.db2.gz ZUSURJXMBKKDCT-CPFNUKBASA-N 2 0 294.483 2.998 20 0 CFADRP COCc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)o1 ZINC001235243788 778429302 /nfs/dbraw/zinc/42/93/02/778429302.db2.gz YUFOAHXAUAAVJD-KRWDZBQOSA-N 2 0 292.423 2.780 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC001168324776 778431762 /nfs/dbraw/zinc/43/17/62/778431762.db2.gz XCRHGSAQIMRSKN-DAWZGUTISA-N 2 0 287.451 2.961 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001168323783 778433080 /nfs/dbraw/zinc/43/30/80/778433080.db2.gz CMTPMUFEBKNREI-ABHNRTSZSA-N 2 0 288.435 2.933 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235255411 778434815 /nfs/dbraw/zinc/43/48/15/778434815.db2.gz MTBBJSKQTYAQTI-ZFWWWQNUSA-N 2 0 298.352 2.932 20 0 CFADRP CCCCOC(=O)[C@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329780 778436039 /nfs/dbraw/zinc/43/60/39/778436039.db2.gz IERNDAOTEWBGEQ-FHERZECASA-N 2 0 296.455 2.524 20 0 CFADRP N[C@@H]1COC[C@H]1[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168334942 778438583 /nfs/dbraw/zinc/43/85/83/778438583.db2.gz AALHQEGOFZYOAF-AHNOJICISA-N 2 0 294.826 2.682 20 0 CFADRP [NH3+]CCOCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168337714 778440326 /nfs/dbraw/zinc/44/03/26/778440326.db2.gz PKTWZAFFPJHSQR-UHFFFAOYSA-N 2 0 296.842 2.931 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2c(c1)CCCC2 ZINC001235266912 778440515 /nfs/dbraw/zinc/44/05/15/778440515.db2.gz HSOVSNGLQWZXFA-AEFFLSMTSA-N 2 0 270.420 2.749 20 0 CFADRP CCc1cc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)ccc1Cl ZINC001235342435 778461549 /nfs/dbraw/zinc/46/15/49/778461549.db2.gz VNZAGYJYPQBEBK-CQSZACIVSA-N 2 0 278.827 2.944 20 0 CFADRP [NH3+]CC[C@@H]1CN(C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC001168358328 778465802 /nfs/dbraw/zinc/46/58/02/778465802.db2.gz RVUQUMFVPXEQNW-MRXNPFEDSA-N 2 0 299.462 2.813 20 0 CFADRP [NH3+]Cc1ccc2ncn(C3CC[NH+](CC4CC4)CC3)c2c1 ZINC001168358832 778469929 /nfs/dbraw/zinc/46/99/29/778469929.db2.gz VVJDLTLKKIYNDP-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP Fc1cccc(CCC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235399402 778475459 /nfs/dbraw/zinc/47/54/59/778475459.db2.gz AZXPEDKQBCXSPN-IAGOWNOFSA-N 2 0 294.389 2.782 20 0 CFADRP Fc1ccc(CCC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235404127 778477659 /nfs/dbraw/zinc/47/76/59/778477659.db2.gz MOYSEZDVYSAARE-IRXDYDNUSA-N 2 0 294.389 2.782 20 0 CFADRP CNc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235420693 778485274 /nfs/dbraw/zinc/48/52/74/778485274.db2.gz AIVCOTMHHHAKKV-SJORKVTESA-N 2 0 287.451 2.940 20 0 CFADRP Oc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432411 778488641 /nfs/dbraw/zinc/48/86/41/778488641.db2.gz XLWKEWKPCHEDMF-ZIAGYGMSSA-N 2 0 292.398 2.743 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697879434 778491158 /nfs/dbraw/zinc/49/11/58/778491158.db2.gz YPHBGASJQISMIZ-CHWSQXEVSA-N 2 0 252.377 2.687 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000721256791 778493349 /nfs/dbraw/zinc/49/33/49/778493349.db2.gz WWKRTOPWNLDJJV-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001235529793 778513085 /nfs/dbraw/zinc/51/30/85/778513085.db2.gz BVYQMVHRKXDSFF-MSOLQXFVSA-N 2 0 288.435 2.764 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001235529796 778513252 /nfs/dbraw/zinc/51/32/52/778513252.db2.gz BVYQMVHRKXDSFF-QZTJIDSGSA-N 2 0 288.435 2.764 20 0 CFADRP C[C@@H](CC[NH2+]Cc1ccc2ncccc2c1)[NH+](C)C ZINC000697906420 778521269 /nfs/dbraw/zinc/52/12/69/778521269.db2.gz YUXZLOQPNHDCJK-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@@H](CC[NH2+]Cc1cccc2cccnc21)[NH+](C)C ZINC000697906359 778521770 /nfs/dbraw/zinc/52/17/70/778521770.db2.gz YCQMHRKNLLKJQM-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP C(O[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]3)C[C@@H]21)C1CC1 ZINC001235595894 778521994 /nfs/dbraw/zinc/52/19/94/778521994.db2.gz FBBVVKJDUVNUHU-ZJPYXAASSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCN(CC[C@H]2CCCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC001235672773 778531662 /nfs/dbraw/zinc/53/16/62/778531662.db2.gz GRXXTFBZRUOEAD-QZTJIDSGSA-N 2 0 287.451 2.507 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235675586 778533279 /nfs/dbraw/zinc/53/32/79/778533279.db2.gz ZJFPRLRRZDWPTQ-RDJZCZTQSA-N 2 0 274.408 2.672 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)c(F)c(C)c2)CC1 ZINC001235678268 778534166 /nfs/dbraw/zinc/53/41/66/778534166.db2.gz KGCJBULUIAVSIV-UHFFFAOYSA-N 2 0 264.388 2.874 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(c2ccccc2F)CC1 ZINC001235681279 778535081 /nfs/dbraw/zinc/53/50/81/778535081.db2.gz XFFFCDAZDPAWRD-UHFFFAOYSA-N 2 0 250.361 2.744 20 0 CFADRP CC[C@H]([NH3+])CN1CCC[C@H](Oc2ccccc2C)C1 ZINC001235690938 778538240 /nfs/dbraw/zinc/53/82/40/778538240.db2.gz IIAIHXGGOOPNNW-GJZGRUSLSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@@H]1C ZINC001235694388 778538868 /nfs/dbraw/zinc/53/88/68/778538868.db2.gz DUBTVDZRRBKISU-HZPDHXFCSA-N 2 0 287.451 2.717 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702798 778541943 /nfs/dbraw/zinc/54/19/43/778541943.db2.gz NKPDGFHSEFKEQG-QGTPRVQTSA-N 2 0 274.452 2.910 20 0 CFADRP C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC(C)(C)C ZINC001235713488 778545350 /nfs/dbraw/zinc/54/53/50/778545350.db2.gz BEIPZAATAGRBIU-UHFFFAOYSA-N 2 0 275.440 2.574 20 0 CFADRP Cc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1F ZINC001235715789 778545607 /nfs/dbraw/zinc/54/56/07/778545607.db2.gz WTZAYRTWCJEDES-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2c(c1)CCCO2 ZINC001235716423 778546009 /nfs/dbraw/zinc/54/60/09/778546009.db2.gz BAFPAMOLPSENSI-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235827787 778571223 /nfs/dbraw/zinc/57/12/23/778571223.db2.gz QAUMZUTWSURPBL-KRWDZBQOSA-N 2 0 288.435 2.722 20 0 CFADRP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C[C@H]1CC[NH2+]C1 ZINC001235843112 778577415 /nfs/dbraw/zinc/57/74/15/778577415.db2.gz VTQXKNGRZRQPJS-NSHDSACASA-N 2 0 277.799 2.863 20 0 CFADRP c1cc2n(c1C[N@@H+]1CC[C@H]3CCCC[C@H]3C1)CC[NH2+]C2 ZINC001235856571 778581397 /nfs/dbraw/zinc/58/13/97/778581397.db2.gz UQXMKXBRZMZJGB-CABCVRRESA-N 2 0 273.424 2.603 20 0 CFADRP Cc1ccc(Oc2cccc(CN(CC[NH3+])CC[NH3+])c2)cc1 ZINC001235877594 778587730 /nfs/dbraw/zinc/58/77/30/778587730.db2.gz OCBSMLILYGPXMH-UHFFFAOYSA-N 2 0 299.418 2.507 20 0 CFADRP CNc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001235888360 778591483 /nfs/dbraw/zinc/59/14/83/778591483.db2.gz NQKCJSUTXKMAQU-QGZVFWFLSA-N 2 0 273.424 2.692 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cccc2)cc1 ZINC001235925909 778612255 /nfs/dbraw/zinc/61/22/55/778612255.db2.gz RMLOSVFUMYFJMC-INIZCTEOSA-N 2 0 269.392 2.791 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c1Cl ZINC001235925964 778612304 /nfs/dbraw/zinc/61/23/04/778612304.db2.gz UDMBSPOSHMBKBN-ZDUSSCGKSA-N 2 0 252.789 2.962 20 0 CFADRP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929082 778613013 /nfs/dbraw/zinc/61/30/13/778613013.db2.gz HMILCXUFDWGANP-HOTGVXAUSA-N 2 0 296.414 2.890 20 0 CFADRP COc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)ccc2c1 ZINC001235929504 778613667 /nfs/dbraw/zinc/61/36/67/778613667.db2.gz QMSIWLUOJBMRRD-ROUUACIJSA-N 2 0 296.414 2.890 20 0 CFADRP CC(C)(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235935866 778616517 /nfs/dbraw/zinc/61/65/17/778616517.db2.gz FLDRZIMIWYTGLD-HOTGVXAUSA-N 2 0 288.435 2.905 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1CC ZINC001235936288 778616650 /nfs/dbraw/zinc/61/66/50/778616650.db2.gz GJUIBZWVNPMDNJ-DLBZAZTESA-N 2 0 288.435 2.689 20 0 CFADRP CSc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235937379 778617466 /nfs/dbraw/zinc/61/74/66/778617466.db2.gz PTHSTZIKHZJUJP-LSDHHAIUSA-N 2 0 276.449 2.758 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(CC)c1O ZINC001235937902 778617601 /nfs/dbraw/zinc/61/76/01/778617601.db2.gz JOIURFNGSNBLKT-IRXDYDNUSA-N 2 0 288.435 2.558 20 0 CFADRP C[N@@H+](Cc1ccccc1-n1cccc1)C[C@@H]1CCC[NH2+]C1 ZINC001235957276 778627017 /nfs/dbraw/zinc/62/70/17/778627017.db2.gz LSDYIEVUKXDZTM-MRXNPFEDSA-N 2 0 283.419 2.909 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])ccc1OC(C)C ZINC001235959153 778628461 /nfs/dbraw/zinc/62/84/61/778628461.db2.gz FKCRWEWNZLNPHC-ALXJQNPVSA-N 2 0 288.435 2.951 20 0 CFADRP c1ccc2c(c1)C[N@@H+](CCC1CC1)CC21CC[NH2+]CC1 ZINC001235973707 778635529 /nfs/dbraw/zinc/63/55/29/778635529.db2.gz JHXUSWFKHDENDA-UHFFFAOYSA-N 2 0 270.420 2.924 20 0 CFADRP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCCCc1ccccc1)C2 ZINC001235978138 778637870 /nfs/dbraw/zinc/63/78/70/778637870.db2.gz IKBVXURMUDBKTO-DLBZAZTESA-N 2 0 258.409 2.823 20 0 CFADRP CC[C@@H](C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236007555 778652233 /nfs/dbraw/zinc/65/22/33/778652233.db2.gz WFYJRVCBHPJTBV-OIISXLGYSA-N 2 0 258.409 2.506 20 0 CFADRP c1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc2c1CCC2 ZINC001236007985 778652690 /nfs/dbraw/zinc/65/26/90/778652690.db2.gz HWVYCXJCQABNGJ-UHFFFAOYSA-N 2 0 270.420 2.751 20 0 CFADRP COc1cccc(CCC[N@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC001236042676 778661526 /nfs/dbraw/zinc/66/15/26/778661526.db2.gz RKSNIZJYIATZJV-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP COc1cccc(OCC2CC[NH+](CCCC[NH3+])CC2)c1 ZINC001236044161 778662969 /nfs/dbraw/zinc/66/29/69/778662969.db2.gz KAMFZAWIGGUOFQ-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236045855 778664708 /nfs/dbraw/zinc/66/47/08/778664708.db2.gz XLNZIRRWEOQXQF-HOTGVXAUSA-N 2 0 298.471 2.949 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC(C)C)ccc2C)C1 ZINC001236066055 778679244 /nfs/dbraw/zinc/67/92/44/778679244.db2.gz DNYSIJITTPBGFV-HNNXBMFYSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236074101 778682471 /nfs/dbraw/zinc/68/24/71/778682471.db2.gz UGMJWFDRPYNXID-WMZOPIPTSA-N 2 0 293.499 2.866 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC001168371776 778686577 /nfs/dbraw/zinc/68/65/77/778686577.db2.gz IKIHZTOHQKHJCI-HOTGVXAUSA-N 2 0 262.441 2.983 20 0 CFADRP CC[C@@H]([NH3+])CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001236089702 778686654 /nfs/dbraw/zinc/68/66/54/778686654.db2.gz WTIFQILXARAWPJ-LJQANCHMSA-N 2 0 297.446 2.695 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[NH+]2CC3CCC(CC3)C2)c1 ZINC001236089871 778686971 /nfs/dbraw/zinc/68/69/71/778686971.db2.gz YRTWYSAAKXRYET-UHFFFAOYSA-N 2 0 299.462 2.718 20 0 CFADRP Fc1cccc(CC2CC[NH+](CCC3C[NH2+]C3)CC2)c1 ZINC001236092392 778687901 /nfs/dbraw/zinc/68/79/01/778687901.db2.gz KDVNBTKCGPDFGC-UHFFFAOYSA-N 2 0 276.399 2.690 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](NC2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001168372138 778692269 /nfs/dbraw/zinc/69/22/69/778692269.db2.gz UPKRQIDCEKSTPX-QAPCUYQASA-N 2 0 293.499 2.569 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc(C[NH+](C)C)cc2)cn1 ZINC001236152105 778719634 /nfs/dbraw/zinc/71/96/34/778719634.db2.gz FPHIILRAVLETEA-UHFFFAOYSA-N 2 0 286.423 2.563 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2cnn(CCC[NH+](C)C)c2)cc1 ZINC001236151813 778719697 /nfs/dbraw/zinc/71/96/97/778719697.db2.gz CDNWLJNIQKUHFU-CYBMUJFWSA-N 2 0 272.396 2.522 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2(CC2)C1 ZINC001236154289 778720320 /nfs/dbraw/zinc/72/03/20/778720320.db2.gz PLCDLTFGEFMXLW-CYBMUJFWSA-N 2 0 256.393 2.707 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001236153715 778720496 /nfs/dbraw/zinc/72/04/96/778720496.db2.gz VLNBBWYWPBCPPM-SFHVURJKSA-N 2 0 298.434 2.926 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc(C(C)(C)[NH3+])cc2)cn1 ZINC001236156589 778721350 /nfs/dbraw/zinc/72/13/50/778721350.db2.gz YWYNAZKCSPELAB-UHFFFAOYSA-N 2 0 286.423 2.696 20 0 CFADRP C[C@@H]([NH3+])c1ccccc1-c1cnn(CCC[NH+](C)C)c1 ZINC001236157683 778721419 /nfs/dbraw/zinc/72/14/19/778721419.db2.gz JVZHXOKDIPMTDH-CYBMUJFWSA-N 2 0 272.396 2.522 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(-n2ccnc2)cc1 ZINC001236182954 778728756 /nfs/dbraw/zinc/72/87/56/778728756.db2.gz SPLAWVQXHOQICX-QGZVFWFLSA-N 2 0 298.434 2.836 20 0 CFADRP CC[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccc(Cl)c1 ZINC001236194623 778732155 /nfs/dbraw/zinc/73/21/55/778732155.db2.gz PCFCYTRKQSVQOR-HNNXBMFYSA-N 2 0 282.815 2.540 20 0 CFADRP [NH3+]C1CCC(N(Cc2ccccc2)C[C@@H]2CCC[NH2+]2)CC1 ZINC001236227571 778746091 /nfs/dbraw/zinc/74/60/91/778746091.db2.gz HPVFJKOHDAXITC-ADKAHSJRSA-N 2 0 287.451 2.511 20 0 CFADRP COc1cccc2c1CC[N@H+](Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC001236240772 778750043 /nfs/dbraw/zinc/75/00/43/778750043.db2.gz OQXHSQQDEHZTIY-UHFFFAOYSA-N 2 0 294.398 2.857 20 0 CFADRP [NH3+]CCCCCCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236269740 778758050 /nfs/dbraw/zinc/75/80/50/778758050.db2.gz NGVVDLKYECQYBT-GOSISDBHSA-N 2 0 289.467 2.760 20 0 CFADRP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314394 778773884 /nfs/dbraw/zinc/77/38/84/778773884.db2.gz CQGNFVCPWITQKF-CALCHBBNSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ccnc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c12 ZINC001236320132 778777247 /nfs/dbraw/zinc/77/72/47/778777247.db2.gz CVKBTRVQJPHZHH-IYBDPMFKSA-N 2 0 295.430 2.975 20 0 CFADRP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1 ZINC001236319489 778777437 /nfs/dbraw/zinc/77/74/37/778777437.db2.gz AXNDEIJSBCPBNQ-IYBDPMFKSA-N 2 0 288.435 2.743 20 0 CFADRP COc1cccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c21 ZINC001236320676 778778239 /nfs/dbraw/zinc/77/82/39/778778239.db2.gz AQGSGWBDPCTYPQ-OKILXGFUSA-N 2 0 299.418 2.608 20 0 CFADRP Cc1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc(F)c1F ZINC001236321702 778779044 /nfs/dbraw/zinc/77/90/44/778779044.db2.gz WCODYBPOOOZJFV-OKILXGFUSA-N 2 0 280.362 2.705 20 0 CFADRP [NH3+]Cc1cccc(-c2cccc3c2CC[NH2+]C3)c1F ZINC001236358417 778790402 /nfs/dbraw/zinc/79/04/02/778790402.db2.gz HJTRCIHEWFSJAL-UHFFFAOYSA-N 2 0 256.324 2.597 20 0 CFADRP c1cc2c(c(-c3ccc(O[C@@H]4CC[NH2+]C4)cc3)c1)CC[NH2+]C2 ZINC001236360733 778791762 /nfs/dbraw/zinc/79/17/62/778791762.db2.gz SSCJSSOHYREDGJ-QGZVFWFLSA-N 2 0 294.398 2.740 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374369 778796048 /nfs/dbraw/zinc/79/60/48/778796048.db2.gz PWHMSKJUZCSCLL-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCc2cc(F)ccc2C1 ZINC001168399923 778798914 /nfs/dbraw/zinc/79/89/14/778798914.db2.gz GAISPHYHQZMQFS-MRXNPFEDSA-N 2 0 264.388 2.744 20 0 CFADRP [NH3+]CCCCC[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400336 778803323 /nfs/dbraw/zinc/80/33/23/778803323.db2.gz BWLGWQOTIYVEIJ-UHFFFAOYSA-N 3 0 293.430 2.509 20 0 CFADRP CC[N@@H+](Cc1ccc(C2CC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407102 778805228 /nfs/dbraw/zinc/80/52/28/778805228.db2.gz BUVWKTCXKIOKJX-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC(C)=C[C@@H]1C ZINC001236408750 778805310 /nfs/dbraw/zinc/80/53/10/778805310.db2.gz RYXCLZJDSOJYIE-XHSDSOJGSA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407025 778805508 /nfs/dbraw/zinc/80/55/08/778805508.db2.gz AQWHQCZJVHDDHT-OAHLLOKOSA-N 2 0 276.424 2.743 20 0 CFADRP COC(=O)[C@H]1C[N@H+](CC[C@@H](C)CCC=C(C)C)CC[C@@H]1[NH3+] ZINC001236412868 778807212 /nfs/dbraw/zinc/80/72/12/778807212.db2.gz XABDOCNYYGUDQO-JYJNAYRXSA-N 2 0 296.455 2.581 20 0 CFADRP C[NH2+]C[C@H]1CCCN1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001236422396 778817235 /nfs/dbraw/zinc/81/72/35/778817235.db2.gz UJHKSIYAWIMBLC-QGZVFWFLSA-N 2 0 299.462 2.872 20 0 CFADRP [NH3+]CCCCN(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451352 778833225 /nfs/dbraw/zinc/83/32/25/778833225.db2.gz PLABDCCUVJIBSY-UHFFFAOYSA-N 2 0 295.858 2.633 20 0 CFADRP CC(C)(C)C[N@H+](Cc1ccccc1N)C1CC[NH2+]CC1 ZINC001236459238 778833732 /nfs/dbraw/zinc/83/37/32/778833732.db2.gz JIKOYEWCIHMQRX-UHFFFAOYSA-N 2 0 275.440 2.869 20 0 CFADRP Cc1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc(N)[nH+]1 ZINC000046479241 778837975 /nfs/dbraw/zinc/83/79/75/778837975.db2.gz WVJGMBWOFPORNP-UHFFFAOYSA-N 2 0 297.406 2.575 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCO)C2CCCCC2)CC1 ZINC001236565354 778878205 /nfs/dbraw/zinc/87/82/05/778878205.db2.gz FWCYXTCLCOTKPJ-KOMQPUFPSA-N 2 0 268.445 2.664 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCC[NH2+]C2)C2CCC2)CC1 ZINC001236573226 778880036 /nfs/dbraw/zinc/88/00/36/778880036.db2.gz ZIIKSGTYXHPWJF-ZOBUZTSGSA-N 3 0 279.472 2.501 20 0 CFADRP Fc1ccccc1CC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584648 778886050 /nfs/dbraw/zinc/88/60/50/778886050.db2.gz NCPGKWLVWYHUOO-AWEZNQCLSA-N 2 0 276.399 2.832 20 0 CFADRP COc1ccc(C)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236602137 778890825 /nfs/dbraw/zinc/89/08/25/778890825.db2.gz UUSKBKIJSJGEEQ-HNNXBMFYSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](Oc3ccncc3)C2)o1 ZINC001236601638 778890999 /nfs/dbraw/zinc/89/09/99/778890999.db2.gz KZBNILXEDDHEFR-HNNXBMFYSA-N 2 0 287.363 2.730 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](Oc3ccncc3)C2)o1 ZINC001236601639 778891376 /nfs/dbraw/zinc/89/13/76/778891376.db2.gz KZBNILXEDDHEFR-OAHLLOKOSA-N 2 0 287.363 2.730 20 0 CFADRP c1cc2c(c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)c1)CCN2 ZINC001236601953 778891940 /nfs/dbraw/zinc/89/19/40/778891940.db2.gz QUEGDPGEGSJEGJ-AWEZNQCLSA-N 2 0 285.435 2.619 20 0 CFADRP C[C@H](CC[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1)CC(C)(C)C ZINC001236614823 778893752 /nfs/dbraw/zinc/89/37/52/778893752.db2.gz BZBIXHKMSDMHCY-HZPDHXFCSA-N 2 0 295.515 2.946 20 0 CFADRP C(CN([C@@H]1CC[NH2+]C1)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC001236648387 778903711 /nfs/dbraw/zinc/90/37/11/778903711.db2.gz RDJCPAHXCAKMRX-DOTOQJQBSA-N 2 0 279.472 2.515 20 0 CFADRP C[NH+](C)CC(C)(C)CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236648445 778903982 /nfs/dbraw/zinc/90/39/82/778903982.db2.gz RVJSNRSZPDJUEE-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000300147045 778904317 /nfs/dbraw/zinc/90/43/17/778904317.db2.gz ZTNWYMNAAIFODD-KLHDSHLOSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2)C[C@@H]2CCC[NH2+]2)CC1 ZINC001236681632 778909046 /nfs/dbraw/zinc/90/90/46/778909046.db2.gz HPVFJKOHDAXITC-BZSNNMDCSA-N 2 0 287.451 2.511 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc4sccc43)C[C@@H]2C1 ZINC001236689468 778910157 /nfs/dbraw/zinc/91/01/57/778910157.db2.gz KUVYRSYZELSIFP-OKILXGFUSA-N 2 0 272.417 2.895 20 0 CFADRP Cc1ccc(C[N@H+](CCCC[NH3+])[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236713452 778918705 /nfs/dbraw/zinc/91/87/05/778918705.db2.gz DMDBLOVWDLBBNE-IYARVYRRSA-N 3 0 289.467 2.806 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236743224 778927449 /nfs/dbraw/zinc/92/74/49/778927449.db2.gz UBGHPJRNSZBURG-QAQDUYKDSA-N 3 0 293.430 2.507 20 0 CFADRP CCc1csc(CN2CCC(n3ccnc3)CC2)n1 ZINC001232475343 778936451 /nfs/dbraw/zinc/93/64/51/778936451.db2.gz MPQPLYZJYJIOCZ-UHFFFAOYSA-N 2 0 276.409 2.739 20 0 CFADRP CCOc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236826392 778954517 /nfs/dbraw/zinc/95/45/17/778954517.db2.gz CNJNJLROHDWULZ-HZUKXOBISA-N 2 0 294.826 2.908 20 0 CFADRP CC[N@H+](CCc1ccc(OC)cc1)CC1CC[NH2+]CC1 ZINC000094025319 778958536 /nfs/dbraw/zinc/95/85/36/778958536.db2.gz RPHHUEYBDWDMDY-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835398 778959087 /nfs/dbraw/zinc/95/90/87/778959087.db2.gz NAPGIRKDHUTBHY-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836929 778961219 /nfs/dbraw/zinc/96/12/19/778961219.db2.gz ZHSQQCYFZOMFGE-OAHLLOKOSA-N 2 0 264.388 2.956 20 0 CFADRP CC1(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]CC1 ZINC001236951118 778984884 /nfs/dbraw/zinc/98/48/84/778984884.db2.gz UOXQIQMTVWIHQV-INIZCTEOSA-N 2 0 292.398 2.669 20 0 CFADRP c1ccc(N2C[C@@H]3C[N@H+](CC[C@H]4CCCC[NH2+]4)C[C@@H]3C2)cc1 ZINC001237037547 778994974 /nfs/dbraw/zinc/99/49/74/778994974.db2.gz JTSFMSQKIHZYMG-FGTMMUONSA-N 2 0 299.462 2.587 20 0 CFADRP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCCC[NH3+] ZINC001237188126 779043130 /nfs/dbraw/zinc/04/31/30/779043130.db2.gz NEXFVZCSOJDMLV-NSHDSACASA-N 2 0 297.240 2.935 20 0 CFADRP [NH3+]CCCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001237246749 779059837 /nfs/dbraw/zinc/05/98/37/779059837.db2.gz CWUHJRWHUXUZPH-INIZCTEOSA-N 2 0 264.388 2.962 20 0 CFADRP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)sc1C ZINC001233693774 779072320 /nfs/dbraw/zinc/07/23/20/779072320.db2.gz YQMJIDVCBKOFRI-UHFFFAOYSA-N 2 0 264.438 2.893 20 0 CFADRP c1ccc2c(c1)CN(CC[C@@H]1CCCC[NH2+]1)C21CC[NH2+]CC1 ZINC001237305132 779072408 /nfs/dbraw/zinc/07/24/08/779072408.db2.gz RHRFCBPAKOKTBI-KRWDZBQOSA-N 2 0 299.462 2.613 20 0 CFADRP Cc1cc(F)cc(C)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001237325066 779076625 /nfs/dbraw/zinc/07/66/25/779076625.db2.gz IBGRPTBHNHAXEM-UHFFFAOYSA-N 2 0 276.399 2.970 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC001237383918 779089683 /nfs/dbraw/zinc/08/96/83/779089683.db2.gz SRQQJUSNNCZESI-IRXDYDNUSA-N 2 0 258.409 2.877 20 0 CFADRP Cn1ccc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc21 ZINC001237394837 779094481 /nfs/dbraw/zinc/09/44/81/779094481.db2.gz WKNYJOSWZFMMOZ-IRXDYDNUSA-N 2 0 283.419 2.752 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)c1 ZINC001237400873 779096347 /nfs/dbraw/zinc/09/63/47/779096347.db2.gz AXUKITOLXXJYRY-CRAIPNDOSA-N 2 0 288.435 2.886 20 0 CFADRP COc1c(C)cccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001237506722 779122694 /nfs/dbraw/zinc/12/26/94/779122694.db2.gz IBXCCHBDRNQDBF-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP COC[C@@H](C[NH+]1CCC(C(C)(C)C[NH3+])CC1)C(C)C ZINC000721974135 779154095 /nfs/dbraw/zinc/15/40/95/779154095.db2.gz OXPRLKSVBPOGGO-CQSZACIVSA-N 2 0 270.461 2.602 20 0 CFADRP Cc1nc(C[N@@H+](C(C)C)C2CCN(C)CC2)ccc1F ZINC001237821953 779188254 /nfs/dbraw/zinc/18/82/54/779188254.db2.gz GZCKGSNEIMJFTF-UHFFFAOYSA-N 2 0 279.403 2.834 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C)[C@@H]3CC[N@H+](C)C3)cc21 ZINC001237879564 779198875 /nfs/dbraw/zinc/19/88/75/779198875.db2.gz NNLUOVMRPWHLSN-QGZVFWFLSA-N 2 0 299.462 2.824 20 0 CFADRP C[C@H](C[NH+]1CCC2(CC[N@H+](C)C2)CC1)CC(F)(F)F ZINC001278183865 779237599 /nfs/dbraw/zinc/23/75/99/779237599.db2.gz JBWQBBWZSRNONH-LBPRGKRZSA-N 2 0 278.362 2.993 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000699295630 779238195 /nfs/dbraw/zinc/23/81/95/779238195.db2.gz YHBNQDNQVKJFAK-SFESLNEESA-N 2 0 272.392 2.541 20 0 CFADRP Cc1csc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000699295753 779238544 /nfs/dbraw/zinc/23/85/44/779238544.db2.gz ZOCICAXSNRCWGP-WODVXLOZSA-N 2 0 265.426 2.633 20 0 CFADRP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001238107892 779254636 /nfs/dbraw/zinc/25/46/36/779254636.db2.gz SJLJMGCRRURLQM-KGLIPLIRSA-N 2 0 255.365 2.956 20 0 CFADRP FCCCC[N@@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1 ZINC001278205510 779285379 /nfs/dbraw/zinc/28/53/79/779285379.db2.gz OXZZHCSRZWYIKE-KRWDZBQOSA-N 2 0 298.446 2.846 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024003 779303035 /nfs/dbraw/zinc/30/30/35/779303035.db2.gz JJKFAQNIMCJXER-UHFFFAOYSA-N 2 0 296.455 2.576 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ncc1Cl ZINC001238420121 779309441 /nfs/dbraw/zinc/30/94/41/779309441.db2.gz OWLHPICAQFDMBF-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001168494345 779338554 /nfs/dbraw/zinc/33/85/54/779338554.db2.gz BHDXXMYZPOEYJF-AWEZNQCLSA-N 2 0 276.399 2.784 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)C1(C)C ZINC001235338008 779344762 /nfs/dbraw/zinc/34/47/62/779344762.db2.gz NNKOPCZBCQSTIJ-GOEBONIOSA-N 2 0 262.441 2.910 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cnc1C1CC1 ZINC001238617643 779352051 /nfs/dbraw/zinc/35/20/51/779352051.db2.gz FRDWEAMSARQVSZ-SJORKVTESA-N 2 0 285.435 2.651 20 0 CFADRP C(C[NH+]1CCCC1)[C@H]1CCCCN1CC[C@@H]1CCCC[NH2+]1 ZINC001235677780 779367176 /nfs/dbraw/zinc/36/71/76/779367176.db2.gz IDQZLUOIKISCEJ-ZWKOTPCHSA-N 2 0 293.499 2.859 20 0 CFADRP CCOc1ccc(C)c(CN2C[C@@H]3C[N@@H+](CC)C[C@@H]3C2)c1 ZINC001238710460 779372264 /nfs/dbraw/zinc/37/22/64/779372264.db2.gz DDZOTNOAODHOAQ-CALCHBBNSA-N 2 0 288.435 2.777 20 0 CFADRP COc1cc(C)c(C)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001238770003 779388588 /nfs/dbraw/zinc/38/85/88/779388588.db2.gz LCZLIRINSIGSBQ-UHFFFAOYSA-N 2 0 288.435 2.840 20 0 CFADRP C[C@H](CC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001235929821 779409488 /nfs/dbraw/zinc/40/94/88/779409488.db2.gz UTBNLLGAADFIFO-RBSFLKMASA-N 2 0 252.446 2.990 20 0 CFADRP COc1ccc(C2=CCC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC001238951135 779424989 /nfs/dbraw/zinc/42/49/89/779424989.db2.gz SUHKDWUHVPZRPE-UHFFFAOYSA-N 2 0 260.381 2.524 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc3c2CC[C@H]3[NH3+])cn1 ZINC001239214845 779477391 /nfs/dbraw/zinc/47/73/91/779477391.db2.gz PWLFPQRIRQPNMT-GOSISDBHSA-N 2 0 298.434 2.838 20 0 CFADRP CCC[N@H+](Cc1ccc2c(c1)CCN2)C1CC[NH2+]CC1 ZINC001236184411 779494017 /nfs/dbraw/zinc/49/40/17/779494017.db2.gz LBRIMLJDHFFOJJ-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000721274864 779527601 /nfs/dbraw/zinc/52/76/01/779527601.db2.gz QYFXEFIWJMQJCO-QKPAOTATSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001236314166 779536911 /nfs/dbraw/zinc/53/69/11/779536911.db2.gz IQXMEBJYNHIWJQ-BHYGNILZSA-N 2 0 258.409 2.722 20 0 CFADRP Cn1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c2ccccc21 ZINC001239535820 779614930 /nfs/dbraw/zinc/61/49/30/779614930.db2.gz RAYJZXRVZPBKKZ-UHFFFAOYSA-N 2 0 292.386 2.650 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc3c(c2)CCC32CC[NH2+]CC2)c1 ZINC001239796475 779778439 /nfs/dbraw/zinc/77/84/39/779778439.db2.gz ALZXKNISCBEVJO-UHFFFAOYSA-N 2 0 293.414 2.775 20 0 CFADRP [NH3+]Cc1cccc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001240044723 779926867 /nfs/dbraw/zinc/92/68/67/779926867.db2.gz JUBGQAJBDKRUOP-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP Cc1n[nH]c(C)c1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001240129059 779953728 /nfs/dbraw/zinc/95/37/28/779953728.db2.gz WQKMPSOOGJUROV-UHFFFAOYSA-N 2 0 284.407 2.617 20 0 CFADRP Cc1c(C)c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1Cl ZINC001205249367 780044936 /nfs/dbraw/zinc/04/49/36/780044936.db2.gz XHTUAJZWHVALNK-INIZCTEOSA-N 2 0 296.842 2.633 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000715545356 780142075 /nfs/dbraw/zinc/14/20/75/780142075.db2.gz VTOZGKYDZKLTHL-UHFFFAOYSA-N 2 0 276.424 2.918 20 0 CFADRP c1cc2c(cc1-c1ccc([C@@H]3CCC[NH2+]3)cn1)CC[NH2+]C2 ZINC001240454377 780174788 /nfs/dbraw/zinc/17/47/88/780174788.db2.gz NJJWUNOFBKZOMP-KRWDZBQOSA-N 2 0 279.387 2.819 20 0 CFADRP c1cc2c(c(-c3ccc4c(c3)CC[NH2+]C4)c1)C[NH2+]CC2 ZINC001240456445 780178391 /nfs/dbraw/zinc/17/83/91/780178391.db2.gz IVUQZLGAZRJOBA-UHFFFAOYSA-N 2 0 264.372 2.645 20 0 CFADRP C[NH+](C)CCc1c[nH]c2ccc(C3=CC[NH2+]CC3)cc12 ZINC001240470240 780187305 /nfs/dbraw/zinc/18/73/05/780187305.db2.gz KGUNJEJJSVWLGE-UHFFFAOYSA-N 2 0 269.392 2.649 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684582 780322562 /nfs/dbraw/zinc/32/25/62/780322562.db2.gz KMDHZRQJTCFFHC-JSGCOSHPSA-N 2 0 278.827 2.739 20 0 CFADRP COc1ccc(C2=CCC[NH2+]C2)cc1C[NH+]1CCCC1 ZINC001240671428 780345117 /nfs/dbraw/zinc/34/51/17/780345117.db2.gz VETMXEMFLKSOOQ-UHFFFAOYSA-N 2 0 272.392 2.668 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000453107202 780415080 /nfs/dbraw/zinc/41/50/80/780415080.db2.gz KPQVQBNNCHYCMH-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000453107203 780415123 /nfs/dbraw/zinc/41/51/23/780415123.db2.gz KPQVQBNNCHYCMH-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCC2 ZINC000453149193 780419403 /nfs/dbraw/zinc/41/94/03/780419403.db2.gz ZTJJCDDDKARTFN-IRXDYDNUSA-N 2 0 292.467 2.941 20 0 CFADRP Nc1ccccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001241075523 780628091 /nfs/dbraw/zinc/62/80/91/780628091.db2.gz KZOPEZMGTVXNKU-UHFFFAOYSA-N 2 0 281.403 2.859 20 0 CFADRP [NH3+]Cc1cc(C2=CC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC001241505009 780946503 /nfs/dbraw/zinc/94/65/03/780946503.db2.gz KRQFMORCDHCEKK-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000702992631 780973936 /nfs/dbraw/zinc/97/39/36/780973936.db2.gz APSHNHZKCNZGFU-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCC1 ZINC000703072431 780985456 /nfs/dbraw/zinc/98/54/56/780985456.db2.gz GPTABBJHVZUEIP-LVQVYYBASA-N 2 0 280.456 2.558 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)C1 ZINC001241569492 780986332 /nfs/dbraw/zinc/98/63/32/780986332.db2.gz BYXMIRFAYWZZGM-UHFFFAOYSA-N 2 0 282.431 2.973 20 0 CFADRP C[N@@H+]1CC[C@H](c2ccc(C3=CCC[NH+](C)C3)cc2)C1 ZINC001241571765 780989041 /nfs/dbraw/zinc/98/90/41/780989041.db2.gz IJOHTHPFFVZTKF-KRWDZBQOSA-N 2 0 256.393 2.825 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000703806359 781064942 /nfs/dbraw/zinc/06/49/42/781064942.db2.gz UQAJRTDDBXUAHD-WUCCLRPBSA-N 2 0 266.429 2.582 20 0 CFADRP Cc1[nH+]c(-c2cnn(C3CC[NH2+]CC3)c2)cc2[nH]ccc21 ZINC001241773971 781121550 /nfs/dbraw/zinc/12/15/50/781121550.db2.gz WITDRFXKHWJLSX-UHFFFAOYSA-N 2 0 281.363 2.659 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000705803668 781146026 /nfs/dbraw/zinc/14/60/26/781146026.db2.gz FKSJQMMBRWEXMP-UHFFFAOYSA-N 2 0 268.445 2.533 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccncc1Cl ZINC000707753836 781262411 /nfs/dbraw/zinc/26/24/11/781262411.db2.gz APDTVPFAPHYDGN-UHFFFAOYSA-N 2 0 255.793 2.686 20 0 CFADRP CC(C)[C@H]1C[N@H+](CCCCCCC[NH3+])CCS1 ZINC000707344309 781242757 /nfs/dbraw/zinc/24/27/57/781242757.db2.gz GBLREJLZWJIBOO-CQSZACIVSA-N 2 0 258.475 2.969 20 0 CFADRP COCCC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000707375551 781244214 /nfs/dbraw/zinc/24/42/14/781244214.db2.gz MVOSEMHDXPKPBB-ALOPSCKCSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](C[NH+]1CCC(OCCC[NH3+])CC1)CC(C)(C)C ZINC000709157956 781290198 /nfs/dbraw/zinc/29/01/98/781290198.db2.gz AEBRTPBQTQNMPU-CQSZACIVSA-N 2 0 270.461 2.889 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@@H]2CC[NH2+]CC2(C)C)C(C)(C)O1 ZINC000709655657 781296226 /nfs/dbraw/zinc/29/62/26/781296226.db2.gz KBGCGZDRVWAYPL-CHWSQXEVSA-N 2 0 268.445 2.558 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709657013 781296249 /nfs/dbraw/zinc/29/62/49/781296249.db2.gz RFWJRIBBWAFXGY-AWEZNQCLSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC001242148851 781300959 /nfs/dbraw/zinc/30/09/59/781300959.db2.gz BGMDALCQHYEMJL-UHFFFAOYSA-N 2 0 299.418 2.751 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709704709 781301738 /nfs/dbraw/zinc/30/17/38/781301738.db2.gz XQPIMZYLPLGTLR-KGLIPLIRSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709703489 781302613 /nfs/dbraw/zinc/30/26/13/781302613.db2.gz UVRMHUQCNNUBTL-KBPBESRZSA-N 2 0 270.461 2.885 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H]2CC(C)(C)OC2(C)C)CC[C@H]1[NH3+] ZINC000709733921 781304816 /nfs/dbraw/zinc/30/48/16/781304816.db2.gz UQLCUJMRJKKSML-MGPQQGTHSA-N 2 0 268.445 2.639 20 0 CFADRP Cc1ccc(OC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000709335172 781309814 /nfs/dbraw/zinc/30/98/14/781309814.db2.gz MVRHRKGZLLSTNS-JZWPEALZSA-N 2 0 274.408 2.635 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C12CCC2 ZINC000710559076 781317797 /nfs/dbraw/zinc/31/77/97/781317797.db2.gz JQZCOHZLEZOQGB-RYUDHWBXSA-N 2 0 258.356 2.671 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709921190 781322387 /nfs/dbraw/zinc/32/23/87/781322387.db2.gz VNPHTSFGKOZJCH-HZPDHXFCSA-N 2 0 278.440 2.554 20 0 CFADRP Fc1ccc(SCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000709937432 781323845 /nfs/dbraw/zinc/32/38/45/781323845.db2.gz SIASHOSHGXJSKX-MRXNPFEDSA-N 2 0 294.439 2.993 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cc(F)ccc1F ZINC000710778447 781339462 /nfs/dbraw/zinc/33/94/62/781339462.db2.gz BVHREVQITPPMDP-UHFFFAOYSA-N 2 0 256.340 2.916 20 0 CFADRP Cc1ncc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1N ZINC001242412939 781477697 /nfs/dbraw/zinc/47/76/97/781477697.db2.gz NNQPLWAAGHOTJD-UHFFFAOYSA-N 2 0 296.418 2.562 20 0 CFADRP c1ccc(COC[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000383623469 781504281 /nfs/dbraw/zinc/50/42/81/781504281.db2.gz SHIABRBVUNGKRX-QGZVFWFLSA-N 2 0 288.435 2.667 20 0 CFADRP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCCCC2)cc1 ZINC001118411276 781624350 /nfs/dbraw/zinc/62/43/50/781624350.db2.gz YKPPJWZUBNIPJU-UHFFFAOYSA-N 2 0 274.412 2.807 20 0 CFADRP c1cc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc2c1C[NH2+]C2 ZINC001242675388 781690595 /nfs/dbraw/zinc/69/05/95/781690595.db2.gz FSOMXIKJSPFFPR-SFHVURJKSA-N 2 0 280.371 2.698 20 0 CFADRP CCCn1nccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001242846423 781798553 /nfs/dbraw/zinc/79/85/53/781798553.db2.gz CPGSDUXGLKMTHC-UHFFFAOYSA-N 2 0 298.434 2.883 20 0 CFADRP C[NH2+]Cc1cccc(-c2cccc(-n3cc[nH+]c3N)c2)c1 ZINC001242999522 781915078 /nfs/dbraw/zinc/91/50/78/781915078.db2.gz OLEVWSUYEDRNJI-UHFFFAOYSA-N 2 0 278.359 2.841 20 0 CFADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000124390921 187135719 /nfs/dbraw/zinc/13/57/19/187135719.db2.gz ZNTSJNUNYLIJEO-CQSZACIVSA-N 2 0 296.480 2.975 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000124518419 187141053 /nfs/dbraw/zinc/14/10/53/187141053.db2.gz XDVBUYBRFNMSHR-UMPJEAMMSA-N 2 0 294.414 2.911 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127661482 187324320 /nfs/dbraw/zinc/32/43/20/187324320.db2.gz ZVOHLHHWPALBSC-JKSUJKDBSA-N 2 0 262.372 2.585 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127661260 187324342 /nfs/dbraw/zinc/32/43/42/187324342.db2.gz ZVOHLHHWPALBSC-HZPDHXFCSA-N 2 0 262.372 2.585 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC000290018833 197564149 /nfs/dbraw/zinc/56/41/49/197564149.db2.gz CDIXCILSXDPJJB-ZBFHGGJFSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000127789709 187333184 /nfs/dbraw/zinc/33/31/84/187333184.db2.gz HUDKDYOCQWTXCT-IUODEOHRSA-N 2 0 250.361 2.613 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000595013163 349548865 /nfs/dbraw/zinc/54/88/65/349548865.db2.gz QWXUFFHIHFMAOU-CQSZACIVSA-N 2 0 298.471 2.676 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000595004826 349544088 /nfs/dbraw/zinc/54/40/88/349544088.db2.gz UKNNOHCJJIJOKX-OAHLLOKOSA-N 2 0 298.471 2.820 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000595005315 349545419 /nfs/dbraw/zinc/54/54/19/349545419.db2.gz BYUMCFXIJJSSEV-ZDUSSCGKSA-N 2 0 286.460 2.532 20 0 CFADRP CSC1(C[NH2+][C@H]2CCCC23CC3)CC[NH+](C)CC1 ZINC000595052182 349565585 /nfs/dbraw/zinc/56/55/85/349565585.db2.gz QSAPXXWPYRNLCM-ZDUSSCGKSA-N 2 0 268.470 2.736 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595053635 349566499 /nfs/dbraw/zinc/56/64/99/349566499.db2.gz XFMABSIXWTVUCY-FFHGMXDLSA-N 2 0 296.455 2.569 20 0 CFADRP CCSC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000595099633 349581040 /nfs/dbraw/zinc/58/10/40/349581040.db2.gz MPNDAYJAPHWMAC-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CCSC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000595097690 349581540 /nfs/dbraw/zinc/58/15/40/349581540.db2.gz CLDIRRVITLLRMF-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125296933 187178158 /nfs/dbraw/zinc/17/81/58/187178158.db2.gz MOLNSKOGDNPCJS-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000435387127 290640636 /nfs/dbraw/zinc/64/06/36/290640636.db2.gz XHVPNXYIJUFWMU-OAHLLOKOSA-N 2 0 260.425 2.797 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341876094 536621932 /nfs/dbraw/zinc/62/19/32/536621932.db2.gz MSHKLZBQRQXJPV-UKRRQHHQSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414832169 529430867 /nfs/dbraw/zinc/43/08/67/529430867.db2.gz FAECBCMEWZDMGL-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000268746836 536667165 /nfs/dbraw/zinc/66/71/65/536667165.db2.gz AWGDHJQSHYMDQU-HNNXBMFYSA-N 2 0 294.439 2.532 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183601 346907398 /nfs/dbraw/zinc/90/73/98/346907398.db2.gz BHXLSPSRRFVXHG-LBPRGKRZSA-N 2 0 250.361 2.948 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000070188471 346908066 /nfs/dbraw/zinc/90/80/66/346908066.db2.gz SUVUDOAQTYOEIZ-UHFFFAOYSA-N 2 0 285.391 2.902 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCCC1 ZINC000408510534 290030415 /nfs/dbraw/zinc/03/04/15/290030415.db2.gz RTGWEMOXYOYWBL-CAOSSQGBSA-N 2 0 250.430 2.887 20 0 CFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000415029244 529594976 /nfs/dbraw/zinc/59/49/76/529594976.db2.gz ZZGAZRYRAHTQIF-ZIAGYGMSSA-N 2 0 291.439 2.683 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCCC1 ZINC000408510535 290030394 /nfs/dbraw/zinc/03/03/94/290030394.db2.gz RTGWEMOXYOYWBL-JONQDZQNSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422823074 529606401 /nfs/dbraw/zinc/60/64/01/529606401.db2.gz KZINDIZGKBSJIF-ROUUACIJSA-N 2 0 298.434 2.535 20 0 CFADRP CC(C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126127834 187219246 /nfs/dbraw/zinc/21/92/46/187219246.db2.gz WCVYTIGHIXOSDW-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CC1(C)C ZINC000414110957 529596028 /nfs/dbraw/zinc/59/60/28/529596028.db2.gz IOEAYKHLADSLIC-OAGGEKHMSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423180427 529597374 /nfs/dbraw/zinc/59/73/74/529597374.db2.gz NPPKXSUKVVMXQX-INIZCTEOSA-N 2 0 295.858 2.676 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000423523852 529598618 /nfs/dbraw/zinc/59/86/18/529598618.db2.gz IVVOUOAXGZEMTK-HNNXBMFYSA-N 2 0 290.407 2.641 20 0 CFADRP CC[C@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422708212 529598932 /nfs/dbraw/zinc/59/89/32/529598932.db2.gz IKZRTPMFWANWFL-ROUUACIJSA-N 2 0 290.451 2.756 20 0 CFADRP CC[C@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422775861 529599418 /nfs/dbraw/zinc/59/94/18/529599418.db2.gz BOIJMESRGWDYID-HOTGVXAUSA-N 2 0 280.387 2.715 20 0 CFADRP CC[C@H]([NH2+]CCCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422739768 529599792 /nfs/dbraw/zinc/59/97/92/529599792.db2.gz MEJSDAAVWVDHAT-IRXDYDNUSA-N 2 0 276.424 2.748 20 0 CFADRP CCc1ccc(CC[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430558521 529628076 /nfs/dbraw/zinc/62/80/76/529628076.db2.gz YSXGEMCSIROQQQ-UHFFFAOYSA-N 2 0 290.451 2.621 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000071107449 346920415 /nfs/dbraw/zinc/92/04/15/346920415.db2.gz SILQWAMSLZNMDS-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000071107454 346920447 /nfs/dbraw/zinc/92/04/47/346920447.db2.gz SILQWAMSLZNMDS-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422881525 529618994 /nfs/dbraw/zinc/61/89/94/529618994.db2.gz YURJXIGRGRIVPU-UBDQQSCGSA-N 2 0 290.451 2.661 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000071146639 346920935 /nfs/dbraw/zinc/92/09/35/346920935.db2.gz HARCWVWXTYGJLO-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414781685 529646465 /nfs/dbraw/zinc/64/64/65/529646465.db2.gz NLLDYOXMGVZAEW-STQMWFEESA-N 2 0 279.453 2.527 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cn1 ZINC000423557525 529660171 /nfs/dbraw/zinc/66/01/71/529660171.db2.gz ZXIGVFKTYBCEQI-OSRDXIQISA-N 2 0 277.387 2.650 20 0 CFADRP C[NH+](C)Cc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127857966 187337031 /nfs/dbraw/zinc/33/70/31/187337031.db2.gz SJKPPANGDPYZAO-IAGOWNOFSA-N 2 0 273.424 2.787 20 0 CFADRP CCc1ccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422731205 529708970 /nfs/dbraw/zinc/70/89/70/529708970.db2.gz NCZPTKYBLPJTTH-CRAIPNDOSA-N 2 0 291.483 2.959 20 0 CFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422786934 282263912 /nfs/dbraw/zinc/26/39/12/282263912.db2.gz PIHOBBLTTNPUSN-PDSMFRHLSA-N 2 0 298.434 2.702 20 0 CFADRP CSCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289280850 136399382 /nfs/dbraw/zinc/39/93/82/136399382.db2.gz GEILIHIHUBDKDJ-UHFFFAOYSA-N 2 0 287.432 2.720 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])OC ZINC000422998559 282273453 /nfs/dbraw/zinc/27/34/53/282273453.db2.gz QSGIVVKGCYSTQI-PMPSAXMXSA-N 2 0 270.461 2.935 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)C[NH2+]C)CCC2 ZINC000423255511 529747763 /nfs/dbraw/zinc/74/77/63/529747763.db2.gz AGOIKFPWNGHQCP-WDEREUQCSA-N 2 0 267.442 2.528 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127953022 187342898 /nfs/dbraw/zinc/34/28/98/187342898.db2.gz SUPIZUPWVGTIHY-ZWKOTPCHSA-N 2 0 288.435 2.940 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348065361 539347941 /nfs/dbraw/zinc/34/79/41/539347941.db2.gz QKMPVIVBJAAEDI-DLBZAZTESA-N 2 0 288.435 2.905 20 0 CFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000423200562 529806295 /nfs/dbraw/zinc/80/62/95/529806295.db2.gz MOMMQMTZNUDUKY-HRCADAONSA-N 2 0 279.472 2.501 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000119397585 539350294 /nfs/dbraw/zinc/35/02/94/539350294.db2.gz QMWKHDWLCGFCGR-QZTJIDSGSA-N 2 0 294.483 2.878 20 0 CFADRP CN(CCCC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422743614 529883997 /nfs/dbraw/zinc/88/39/97/529883997.db2.gz UNSFPLYJQJEJRX-RDJZCZTQSA-N 2 0 275.440 2.620 20 0 CFADRP C[N@H+](CCN[C@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000422701503 529917870 /nfs/dbraw/zinc/91/78/70/529917870.db2.gz ISSFJSZJENXGAA-CVEARBPZSA-N 2 0 267.461 2.501 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000422702929 529918061 /nfs/dbraw/zinc/91/80/61/529918061.db2.gz LUCWZEKKMWPYJY-MSOLQXFVSA-N 2 0 287.451 2.985 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000423278249 290718306 /nfs/dbraw/zinc/71/83/06/290718306.db2.gz QXTNPCPVYZBFKN-LRDDRELGSA-N 2 0 276.424 2.962 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423202243 529971614 /nfs/dbraw/zinc/97/16/14/529971614.db2.gz QKHUPOVRZMJKER-CYBMUJFWSA-N 2 0 250.386 2.734 20 0 CFADRP CCCC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007862 347047665 /nfs/dbraw/zinc/04/76/65/347047665.db2.gz CULIOVXKFDOQKC-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414848401 529985586 /nfs/dbraw/zinc/98/55/86/529985586.db2.gz WXKGODXMTQCBSW-NEPJUHHUSA-N 2 0 254.805 2.716 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423278183 529986361 /nfs/dbraw/zinc/98/63/61/529986361.db2.gz QRRMLGXIMQDADW-VXGBXAGGSA-N 2 0 282.453 2.923 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414839322 529998662 /nfs/dbraw/zinc/99/86/62/529998662.db2.gz MEGLQSYQBLBWJR-VIFPVBQESA-N 2 0 261.196 2.939 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423282038 529999012 /nfs/dbraw/zinc/99/90/12/529999012.db2.gz WFLMWRLKNKRSRL-QWRGUYRKSA-N 2 0 272.339 2.794 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414841517 529999431 /nfs/dbraw/zinc/99/94/31/529999431.db2.gz NJASUUDPYSNVMK-USXIJHARSA-N 2 0 260.425 2.843 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414841515 530000006 /nfs/dbraw/zinc/00/00/06/530000006.db2.gz NJASUUDPYSNVMK-UAGQMJEPSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000127367067 187300510 /nfs/dbraw/zinc/30/05/10/187300510.db2.gz MUQLTIMTUJQLNI-MGPQQGTHSA-N 2 0 280.387 2.665 20 0 CFADRP COC(C)(C)C[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000122093313 539449754 /nfs/dbraw/zinc/44/97/54/539449754.db2.gz YXSXNFRCDFPRSG-QWHCGFSZSA-N 2 0 256.434 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000127421962 187304551 /nfs/dbraw/zinc/30/45/51/187304551.db2.gz KEFWFCZYDCKQKA-FMKPAKJESA-N 2 0 294.414 2.913 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131730587 232206696 /nfs/dbraw/zinc/20/66/96/232206696.db2.gz UONBSANEXWLBMK-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000089623138 539478651 /nfs/dbraw/zinc/47/86/51/539478651.db2.gz RGTRCHILHWGZKM-GJZGRUSLSA-N 2 0 290.451 2.946 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000089668708 539482308 /nfs/dbraw/zinc/48/23/08/539482308.db2.gz UVYUJJZLVSCYDA-YOEHRIQHSA-N 2 0 276.424 2.694 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(CCOC)CCC2)CC1 ZINC000122938234 539480795 /nfs/dbraw/zinc/48/07/95/539480795.db2.gz XHDCCOKZNPYYPF-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc(C)c1O ZINC000668431612 539480805 /nfs/dbraw/zinc/48/08/05/539480805.db2.gz AQDYODPSGLKBLN-OAHLLOKOSA-N 2 0 276.424 2.971 20 0 CFADRP CC1=CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000668440207 539490079 /nfs/dbraw/zinc/49/00/79/539490079.db2.gz JMWZEGVAYVIKAK-KRWDZBQOSA-N 2 0 292.467 2.966 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000162181019 232253915 /nfs/dbraw/zinc/25/39/15/232253915.db2.gz SLUGUDNGRMWGEK-UHFFFAOYSA-N 3 0 295.515 2.916 20 0 CFADRP CC(C)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000123938388 539513401 /nfs/dbraw/zinc/51/34/01/539513401.db2.gz ZWOZSPULWPJBPC-UHFFFAOYSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](C)S1 ZINC000123984152 539513910 /nfs/dbraw/zinc/51/39/10/539513910.db2.gz SLHCPLWPFXZIIM-BETUJISGSA-N 2 0 276.449 2.658 20 0 CFADRP CCc1ccc(C)[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668478352 539520500 /nfs/dbraw/zinc/52/05/00/539520500.db2.gz NJSOVOUSOBQHJW-HUUCEWRRSA-N 2 0 259.397 2.991 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000090015153 539520971 /nfs/dbraw/zinc/52/09/71/539520971.db2.gz OBSHRKKMYOOOHB-HNNXBMFYSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCCCC1 ZINC000178200827 232376166 /nfs/dbraw/zinc/37/61/66/232376166.db2.gz FRFXVBYWDDLQLI-UONOGXRCSA-N 2 0 289.423 2.909 20 0 CFADRP C[NH+](C)CCCN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167789 539525011 /nfs/dbraw/zinc/52/50/11/539525011.db2.gz IJBRVXFXWIMZRD-KRWDZBQOSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000127579863 187316522 /nfs/dbraw/zinc/31/65/22/187316522.db2.gz HQSFXUWPVQVXMX-KGLIPLIRSA-N 2 0 295.858 2.627 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)N1CC[NH+](C)CC1 ZINC000127580358 187317381 /nfs/dbraw/zinc/31/73/81/187317381.db2.gz HQSFXUWPVQVXMX-ZIAGYGMSSA-N 2 0 295.858 2.627 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)[C@H]1OC ZINC000423420219 282458558 /nfs/dbraw/zinc/45/85/58/282458558.db2.gz AFPVKPHJDDNNMN-WSOGKROESA-N 2 0 294.483 2.804 20 0 CFADRP CCc1ncc(C[NH2+]CC2CC[NH+](CC)CC2)s1 ZINC000044517868 346395076 /nfs/dbraw/zinc/39/50/76/346395076.db2.gz POALWZVKCLBCAO-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)no2)CC1 ZINC000047978144 346462436 /nfs/dbraw/zinc/46/24/36/346462436.db2.gz PHTSOSHIRYVACC-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000596654889 349969579 /nfs/dbraw/zinc/96/95/79/349969579.db2.gz QNUFLKZDWIHHNR-CMPLNLGQSA-N 2 0 284.425 2.559 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957525 346508408 /nfs/dbraw/zinc/50/84/08/346508408.db2.gz CLLRWHULEQXPGT-UHFFFAOYSA-N 2 0 288.435 2.539 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000596648089 349967648 /nfs/dbraw/zinc/96/76/48/349967648.db2.gz IDJMCSRDDIWDOI-STQMWFEESA-N 2 0 256.459 2.627 20 0 CFADRP CCCCOCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000056494165 346609410 /nfs/dbraw/zinc/60/94/10/346609410.db2.gz ATNYZAGHRNSWBT-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000059722159 346657325 /nfs/dbraw/zinc/65/73/25/346657325.db2.gz XBHJBCIHPPPYMF-UHFFFAOYSA-N 2 0 267.376 2.712 20 0 CFADRP c1cc(N2CCC(C[NH2+]C[C@H]3CCSC3)CC2)cc[nH+]1 ZINC000278612542 136644012 /nfs/dbraw/zinc/64/40/12/136644012.db2.gz DBZTUYWSEXYERY-OAHLLOKOSA-N 2 0 291.464 2.641 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CC2)CC1 ZINC000088678111 347506370 /nfs/dbraw/zinc/50/63/70/347506370.db2.gz KCYMMNVLLRVQKB-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1 ZINC000216171398 539565047 /nfs/dbraw/zinc/56/50/47/539565047.db2.gz NOVWARPFQFWTQX-RYUDHWBXSA-N 2 0 268.401 2.587 20 0 CFADRP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC000086252760 179255647 /nfs/dbraw/zinc/25/56/47/179255647.db2.gz MSSMICXYPASKOJ-UHFFFAOYSA-N 2 0 287.407 2.635 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000090708703 347554427 /nfs/dbraw/zinc/55/44/27/347554427.db2.gz WARSSJHGFPYCJY-RYQLBKOJSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090881908 347560926 /nfs/dbraw/zinc/56/09/26/347560926.db2.gz JVCBKWLAXMCUAD-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000086256709 179256343 /nfs/dbraw/zinc/25/63/43/179256343.db2.gz OAANCRHXHDBBGD-UHFFFAOYSA-N 2 0 263.429 2.862 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1OC ZINC000090461417 347550191 /nfs/dbraw/zinc/55/01/91/347550191.db2.gz YSPWPYRSTOKVAY-KLHDSHLOSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000090523365 347551353 /nfs/dbraw/zinc/55/13/53/347551353.db2.gz RIJFWGLXLYZJOB-IMJJTQAJSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000092797079 347648006 /nfs/dbraw/zinc/64/80/06/347648006.db2.gz JKTZRBOFJAQDPH-JKSUJKDBSA-N 2 0 282.472 2.591 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(C1CC1)C1CC1 ZINC000093461751 347675541 /nfs/dbraw/zinc/67/55/41/347675541.db2.gz NKWNNKZCSLHQQK-XIRDDKMYSA-N 2 0 262.441 2.933 20 0 CFADRP c1coc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000094009978 347690015 /nfs/dbraw/zinc/69/00/15/347690015.db2.gz CTMVPYGNEIFELI-QGZVFWFLSA-N 2 0 270.376 2.958 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519515 347695673 /nfs/dbraw/zinc/69/56/73/347695673.db2.gz KFVOZHAYAPUVSK-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000097902729 347711813 /nfs/dbraw/zinc/71/18/13/347711813.db2.gz CUSZRZLXEZXCBL-UHFFFAOYSA-N 2 0 254.324 2.526 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000093210085 347665282 /nfs/dbraw/zinc/66/52/82/347665282.db2.gz REAVKIFURDFVRJ-KBPBESRZSA-N 2 0 252.789 2.742 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccnc2ccccc12 ZINC000113701149 347768071 /nfs/dbraw/zinc/76/80/71/347768071.db2.gz VPJRWZXKACUIIK-SUMWQHHRSA-N 2 0 269.392 2.937 20 0 CFADRP CC(C)Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000112013897 347758027 /nfs/dbraw/zinc/75/80/27/347758027.db2.gz ZYGDPJIUUVYFQJ-IRXDYDNUSA-N 2 0 258.409 2.536 20 0 CFADRP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000112120197 347758536 /nfs/dbraw/zinc/75/85/36/347758536.db2.gz GXTBCAWSUGBSRC-UHFFFAOYSA-N 2 0 267.376 2.712 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000125635403 347828452 /nfs/dbraw/zinc/82/84/52/347828452.db2.gz GNBFVBUCAVGMLN-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2C)CC1 ZINC000129063941 347856955 /nfs/dbraw/zinc/85/69/55/347856955.db2.gz XFQRROPNTIEGQC-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000129161451 347858409 /nfs/dbraw/zinc/85/84/09/347858409.db2.gz ZFJOLCDIUFZSOS-JKSUJKDBSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H]([NH2+]CCCF)c1cccc(OCC[NH+](C)C)c1 ZINC000126897150 347837604 /nfs/dbraw/zinc/83/76/04/347837604.db2.gz VVBHAWVEMWSQJD-CYBMUJFWSA-N 2 0 268.376 2.637 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cscn1)C1CC[NH+](C)CC1 ZINC000396452139 539579389 /nfs/dbraw/zinc/57/93/89/539579389.db2.gz VEJQCKHPTGLHRB-MNOVXSKESA-N 2 0 253.415 2.524 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C1CC[NH+](C)CC1 ZINC000396462150 539579593 /nfs/dbraw/zinc/57/95/93/539579593.db2.gz QIZXCEVVVYLORI-NEPJUHHUSA-N 2 0 265.376 2.602 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000130296263 539587708 /nfs/dbraw/zinc/58/77/08/539587708.db2.gz ODEVWONIKRKTQU-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000130295644 539588043 /nfs/dbraw/zinc/58/80/43/539588043.db2.gz ODEVWONIKRKTQU-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000134045882 347895568 /nfs/dbraw/zinc/89/55/68/347895568.db2.gz ISLYALBJRPLWSZ-DOTOQJQBSA-N 2 0 260.425 2.797 20 0 CFADRP CCc1cccc(OCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152483688 347968934 /nfs/dbraw/zinc/96/89/34/347968934.db2.gz PDXXTUNUOLRTHC-QGZVFWFLSA-N 2 0 290.451 2.901 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000124594441 539593779 /nfs/dbraw/zinc/59/37/79/539593779.db2.gz WNBFWFJYYHXPIA-KGLIPLIRSA-N 2 0 294.414 2.913 20 0 CFADRP CSCC[C@H](C)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000161507574 348024436 /nfs/dbraw/zinc/02/44/36/348024436.db2.gz ZAUAKRCLIFAKSB-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP CC(C)(C)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000304717004 539599707 /nfs/dbraw/zinc/59/97/07/539599707.db2.gz NQKWAPBZJDQSLT-UHFFFAOYSA-N 2 0 290.451 2.779 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)c2ccccc2)CC1 ZINC000233981361 348218483 /nfs/dbraw/zinc/21/84/83/348218483.db2.gz LLGOPBOQNYLYBZ-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000226683248 348184826 /nfs/dbraw/zinc/18/48/26/348184826.db2.gz LZUGMLJTADRTPA-WBVHZDCISA-N 2 0 290.451 2.946 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000229673201 348202682 /nfs/dbraw/zinc/20/26/82/348202682.db2.gz DCQBWMHRLXBQOC-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP Cc1cccn2c(C[NH2+][C@@](C)(CO)c3ccccc3)cnc12 ZINC000237774129 348242840 /nfs/dbraw/zinc/24/28/40/348242840.db2.gz HNKQYQFRGQLHPD-SFHVURJKSA-N 2 0 295.386 2.640 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000252691692 348297656 /nfs/dbraw/zinc/29/76/56/348297656.db2.gz YTHXGHNTWLZKIM-HIFRSBDPSA-N 2 0 262.397 2.787 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000257679229 348307327 /nfs/dbraw/zinc/30/73/27/348307327.db2.gz KRCYHNMFXWKJHQ-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP CSC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000302254154 348373283 /nfs/dbraw/zinc/37/32/83/348373283.db2.gz AWVMZGFQDGGIPF-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CSCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309687213 348407523 /nfs/dbraw/zinc/40/75/23/348407523.db2.gz BEIKHKLCXZZCCY-ZBFHGGJFSA-N 2 0 278.465 2.850 20 0 CFADRP FC1(F)CC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000381008224 348526214 /nfs/dbraw/zinc/52/62/14/348526214.db2.gz WLYSVXTUAHTOQK-TZMCWYRMSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000396444748 348558010 /nfs/dbraw/zinc/55/80/10/348558010.db2.gz CRGYTIHXBOPAOJ-UONOGXRCSA-N 2 0 271.408 2.939 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400995998 348576371 /nfs/dbraw/zinc/57/63/71/348576371.db2.gz KPEIZSNORUJRIY-UQOMUDLDSA-N 2 0 264.438 2.657 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000584684132 348704953 /nfs/dbraw/zinc/70/49/53/348704953.db2.gz UXDVQMKSFBUFAX-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP c1cnc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000589641328 348846531 /nfs/dbraw/zinc/84/65/31/348846531.db2.gz FKVVIGHYPVMROU-IRXDYDNUSA-N 2 0 281.403 2.951 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000397047240 539671588 /nfs/dbraw/zinc/67/15/88/539671588.db2.gz QBNFPYXARCWPLG-GHMZBOCLSA-N 2 0 266.351 2.895 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000397239028 539690140 /nfs/dbraw/zinc/69/01/40/539690140.db2.gz KLYYCJFNYLVTGX-BFYDXBDKSA-N 2 0 276.424 2.508 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591869477 349052935 /nfs/dbraw/zinc/05/29/35/349052935.db2.gz YPIKASOVLIGZAS-ZFWWWQNUSA-N 2 0 256.353 2.676 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1 ZINC000414114665 233170569 /nfs/dbraw/zinc/17/05/69/233170569.db2.gz ZRKAPAYVBAVRTM-CQSZACIVSA-N 2 0 274.408 2.916 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000414172496 233187355 /nfs/dbraw/zinc/18/73/55/233187355.db2.gz FIZFZMOUAVYHAB-CHWSQXEVSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000414185551 233190196 /nfs/dbraw/zinc/19/01/96/233190196.db2.gz OZZSBBGPGCLGEW-RYUDHWBXSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000414185521 233190216 /nfs/dbraw/zinc/19/02/16/233190216.db2.gz OUQPYXGWHLUMMD-NWDGAFQWSA-N 2 0 253.415 2.526 20 0 CFADRP COC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCCC1 ZINC000414193819 233192490 /nfs/dbraw/zinc/19/24/90/233192490.db2.gz UYPNNMCGUCOMDK-MRXNPFEDSA-N 2 0 273.380 2.629 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592524007 349133384 /nfs/dbraw/zinc/13/33/84/349133384.db2.gz BZQWYCGZAUOHBY-TWMKSMIVSA-N 2 0 290.476 2.815 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000300289125 539726498 /nfs/dbraw/zinc/72/64/98/539726498.db2.gz JGPFWYIYDOURQD-CXAGYDPISA-N 2 0 269.392 2.807 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000397969201 539728671 /nfs/dbraw/zinc/72/86/71/539728671.db2.gz LXUOMJHAEDEODX-OCCSQVGLSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1C ZINC000414280390 233214282 /nfs/dbraw/zinc/21/42/82/233214282.db2.gz CZTUOZUBIVJJRX-HUUCEWRRSA-N 2 0 292.471 2.576 20 0 CFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@H]1C ZINC000593645834 349303008 /nfs/dbraw/zinc/30/30/08/349303008.db2.gz KGABXOPIIVHKQA-HRCADAONSA-N 2 0 298.471 2.532 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000593318781 349246893 /nfs/dbraw/zinc/24/68/93/349246893.db2.gz HHXUKJNROOAUJB-HUUCEWRRSA-N 2 0 296.455 2.607 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2CSC)cc1 ZINC000593728595 349315449 /nfs/dbraw/zinc/31/54/49/349315449.db2.gz YZAITWBKRVPZCK-GJZGRUSLSA-N 2 0 294.464 2.565 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2CSC)cc1 ZINC000593728594 349315524 /nfs/dbraw/zinc/31/55/24/349315524.db2.gz YZAITWBKRVPZCK-CABCVRRESA-N 2 0 294.464 2.565 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668738831 539739917 /nfs/dbraw/zinc/73/99/17/539739917.db2.gz GRWVVLZNPMSNBV-SOLBZPMBSA-N 2 0 294.483 2.734 20 0 CFADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+](C)C)cc1Cl ZINC000597050775 350021523 /nfs/dbraw/zinc/02/15/23/350021523.db2.gz DGEXSXUDWBENRF-UHFFFAOYSA-N 2 0 298.814 2.558 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)CCC1 ZINC000597178702 350045195 /nfs/dbraw/zinc/04/51/95/350045195.db2.gz FFJCKYLSCJSERW-GFCCVEGCSA-N 2 0 256.459 2.735 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090714541 180028546 /nfs/dbraw/zinc/02/85/46/180028546.db2.gz KUTBBSIJMBOVDY-IAGOWNOFSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000220584983 539752889 /nfs/dbraw/zinc/75/28/89/539752889.db2.gz ZCGIPNMTUBDWRY-JSGCOSHPSA-N 2 0 277.437 2.534 20 0 CFADRP Cn1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000091007089 180084790 /nfs/dbraw/zinc/08/47/90/180084790.db2.gz VMVFQVLSRXHHBE-UHFFFAOYSA-N 2 0 271.408 2.637 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414688051 233325793 /nfs/dbraw/zinc/32/57/93/233325793.db2.gz CVCTVDNYMSRLLL-HLLBOEOZSA-N 2 0 273.424 2.561 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414697555 233330232 /nfs/dbraw/zinc/33/02/32/233330232.db2.gz RGHWOAWXOTVYEZ-CKEIUWERSA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC000414696217 233330593 /nfs/dbraw/zinc/33/05/93/233330593.db2.gz BHHUKDYVCPEICT-CHWSQXEVSA-N 2 0 262.372 2.793 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC[NH2+]1 ZINC000414699483 233332303 /nfs/dbraw/zinc/33/23/03/233332303.db2.gz UGPCORWFRGSSCB-WMLDXEAASA-N 2 0 288.435 2.992 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH3+] ZINC000414749135 233342710 /nfs/dbraw/zinc/34/27/10/233342710.db2.gz JTYLMYULYMBIPF-SNVBAGLBSA-N 2 0 260.303 2.575 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000271332007 191078944 /nfs/dbraw/zinc/07/89/44/191078944.db2.gz VYINLSHEWRBONU-HZPDHXFCSA-N 2 0 288.435 2.969 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000414738266 233340156 /nfs/dbraw/zinc/34/01/56/233340156.db2.gz HUVXSTGNZBFRBD-UTUOFQBUSA-N 2 0 264.335 2.649 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091539268 180182989 /nfs/dbraw/zinc/18/29/89/180182989.db2.gz WVCCWEKMCIXKHS-GJZGRUSLSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000414799472 233356946 /nfs/dbraw/zinc/35/69/46/233356946.db2.gz JXQKMGUOLWLLKH-HOCLYGCPSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1F ZINC000414772222 233346540 /nfs/dbraw/zinc/34/65/40/233346540.db2.gz BLWMNTRPAPEDMF-CVEARBPZSA-N 2 0 276.399 2.956 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414779446 233348281 /nfs/dbraw/zinc/34/82/81/233348281.db2.gz KBGHBKPPDNJGSY-ZWKOTPCHSA-N 2 0 288.435 2.655 20 0 CFADRP CCc1oc2ccccc2c1C[N@H+](C)C1CC([NH3+])C1 ZINC000414783029 233349833 /nfs/dbraw/zinc/34/98/33/233349833.db2.gz YSPSSMMDOAUWJL-UHFFFAOYSA-N 2 0 258.365 2.917 20 0 CFADRP c1ccc(C[C@H]2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000414786116 233351117 /nfs/dbraw/zinc/35/11/17/233351117.db2.gz WUGOWHXNNSJQGN-WBVHZDCISA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000414805339 233358301 /nfs/dbraw/zinc/35/83/01/233358301.db2.gz ALWLXTAFMSETGI-SECBINFHSA-N 2 0 298.312 2.738 20 0 CFADRP Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414805944 233358701 /nfs/dbraw/zinc/35/87/01/233358701.db2.gz PZIKUAUYBJIWSS-IUODEOHRSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000414819951 233366099 /nfs/dbraw/zinc/36/60/99/233366099.db2.gz ZZNGHGTZXBIALQ-WCQYABFASA-N 2 0 250.411 2.549 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828671 233369680 /nfs/dbraw/zinc/36/96/80/233369680.db2.gz JFCYABNMSAKICC-WDEREUQCSA-N 2 0 252.324 2.697 20 0 CFADRP c1ccc(OCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414830510 233370720 /nfs/dbraw/zinc/37/07/20/233370720.db2.gz OLUCXRAISVUJOG-XYPWUTKMSA-N 2 0 274.408 2.718 20 0 CFADRP C[C@H](C[NH2+]CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414839662 233373623 /nfs/dbraw/zinc/37/36/23/233373623.db2.gz MEPWMRYHUHBAAW-DOTOQJQBSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848883 233377173 /nfs/dbraw/zinc/37/71/73/233377173.db2.gz GVCLIJQVYSXFKO-INMHGKMJSA-N 2 0 260.425 2.985 20 0 CFADRP Cc1cc(Br)ccc1CN[C@H]1CCC[NH2+]C1 ZINC000414870284 233384458 /nfs/dbraw/zinc/38/44/58/233384458.db2.gz SCFBXGZNUPXMDO-ZDUSSCGKSA-N 2 0 283.213 2.599 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000414876573 233387345 /nfs/dbraw/zinc/38/73/45/233387345.db2.gz LQGPPYCDCWLZAN-HZPDHXFCSA-N 2 0 258.409 2.869 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000414881668 233388479 /nfs/dbraw/zinc/38/84/79/233388479.db2.gz SNBMWKHCZHHYMP-HOTGVXAUSA-N 2 0 258.409 2.869 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1Br ZINC000414920305 233399004 /nfs/dbraw/zinc/39/90/04/233399004.db2.gz XJCVJFDSBRWDAA-ZDUSSCGKSA-N 2 0 297.240 2.989 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000414894850 233391119 /nfs/dbraw/zinc/39/11/19/233391119.db2.gz UQUOSIWNIOCIFY-DJIMGWMZSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414900140 233392509 /nfs/dbraw/zinc/39/25/09/233392509.db2.gz DGQQVSWEKTWWOH-CZUORRHYSA-N 2 0 264.388 2.909 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CCCC[NH3+] ZINC000414898279 233392849 /nfs/dbraw/zinc/39/28/49/233392849.db2.gz DNGQSMOVABDXAT-GFCCVEGCSA-N 2 0 252.427 2.668 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cc(F)cc3cccnc32)CCC[NH2+]C1 ZINC000414903161 233394352 /nfs/dbraw/zinc/39/43/52/233394352.db2.gz LNCQQEMCSZMDSR-QGZVFWFLSA-N 2 0 287.382 2.853 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414911282 233397383 /nfs/dbraw/zinc/39/73/83/233397383.db2.gz GKUOWWXBTHYFMM-INIZCTEOSA-N 2 0 298.434 2.721 20 0 CFADRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1SC ZINC000414857158 233379980 /nfs/dbraw/zinc/37/99/80/233379980.db2.gz PASMAMCSGRMMKP-OCCSQVGLSA-N 2 0 294.464 2.895 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414858544 233380962 /nfs/dbraw/zinc/38/09/62/233380962.db2.gz RXPVXIFFYAFZKL-AAEUAGOBSA-N 2 0 297.240 2.927 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920265 233399891 /nfs/dbraw/zinc/39/98/91/233399891.db2.gz YWBPDAITGDUAGQ-NVXWUHKLSA-N 2 0 260.425 2.905 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599047330 350365092 /nfs/dbraw/zinc/36/50/92/350365092.db2.gz UCQKSUQGQCBMPS-FHERZECASA-N 2 0 298.471 2.818 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000092043638 180310648 /nfs/dbraw/zinc/31/06/48/180310648.db2.gz YAGHQBVJXHEHNQ-KGLIPLIRSA-N 2 0 250.411 2.664 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415048375 233446360 /nfs/dbraw/zinc/44/63/60/233446360.db2.gz WYEITFPKGGZCEQ-NFAWXSAZSA-N 2 0 264.388 2.864 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415082857 233460114 /nfs/dbraw/zinc/46/01/14/233460114.db2.gz OYTBPLKMFVTHDT-VXGBXAGGSA-N 2 0 282.815 2.826 20 0 CFADRP COC(=O)CCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360168 350423588 /nfs/dbraw/zinc/42/35/88/350423588.db2.gz SPOMWRVEDKAVOW-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367590833 282695734 /nfs/dbraw/zinc/69/57/34/282695734.db2.gz WKDDCLIIAADNSW-INIZCTEOSA-N 2 0 290.455 2.963 20 0 CFADRP C[C@@H](c1ccccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573364 186179716 /nfs/dbraw/zinc/17/97/16/186179716.db2.gz SDQMJMPXDALHEY-SDDRHHMPSA-N 2 0 250.773 2.552 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nc2c1CCC2 ZINC000668784005 539802308 /nfs/dbraw/zinc/80/23/08/539802308.db2.gz YVVONUVVERMCGK-UHFFFAOYSA-N 2 0 299.462 2.782 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000110645015 186308826 /nfs/dbraw/zinc/30/88/26/186308826.db2.gz KNRQEQWCHJRWNP-LLVKDONJSA-N 2 0 284.350 2.847 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110644476 186308864 /nfs/dbraw/zinc/30/88/64/186308864.db2.gz LBNHEZRBSYPXHR-CYBMUJFWSA-N 2 0 262.397 2.645 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000110644484 186309114 /nfs/dbraw/zinc/30/91/14/186309114.db2.gz NFHXERKHEXQRPK-CYBMUJFWSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000110644434 186309243 /nfs/dbraw/zinc/30/92/43/186309243.db2.gz NHSMPJNLPPTNBP-NSHDSACASA-N 2 0 252.789 2.899 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCSc2ccccc2)CC1 ZINC000110651157 186311309 /nfs/dbraw/zinc/31/13/09/186311309.db2.gz QSAUEVCYADTKCQ-CYBMUJFWSA-N 2 0 264.438 2.838 20 0 CFADRP Cc1cnn(CCCCC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000111219006 186369994 /nfs/dbraw/zinc/36/99/94/186369994.db2.gz XRRZHMKJGPOWMU-UHFFFAOYSA-N 2 0 292.471 2.824 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCCCF)CC2)CC1 ZINC000341911599 535156580 /nfs/dbraw/zinc/15/65/80/535156580.db2.gz ULXFMUKYBGFDCC-UHFFFAOYSA-N 2 0 299.478 2.617 20 0 CFADRP COC(=O)CC1(C[N@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000603122432 351106761 /nfs/dbraw/zinc/10/67/61/351106761.db2.gz WFAJAVGNZWYYPJ-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccno2)CC1 ZINC000603937873 351193015 /nfs/dbraw/zinc/19/30/15/351193015.db2.gz UCYRZWBXYRASTD-UHFFFAOYSA-N 2 0 265.401 2.619 20 0 CFADRP c1ccc2c(c1)cccc2CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000605575539 351253965 /nfs/dbraw/zinc/25/39/65/351253965.db2.gz DMBJPFPGVMJBMV-QZTJIDSGSA-N 2 0 280.415 2.924 20 0 CFADRP Cc1nc2ccccc2nc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000606432910 351267998 /nfs/dbraw/zinc/26/79/98/351267998.db2.gz WGTQSCPIXYWXBF-UHFFFAOYSA-N 2 0 298.434 2.712 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268943791 535160813 /nfs/dbraw/zinc/16/08/13/535160813.db2.gz UCLWYTGPIKXADV-KBAYOESNSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(OCC(F)F)cc1)C[NH+](C)C ZINC000291710643 198066279 /nfs/dbraw/zinc/06/62/79/198066279.db2.gz LFUMALCDSVOWFQ-GFCCVEGCSA-N 2 0 286.366 2.618 20 0 CFADRP CCC(O)(CC)C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000121900086 187003732 /nfs/dbraw/zinc/00/37/32/187003732.db2.gz ROMBBLSYJLKEEM-RDJZCZTQSA-N 2 0 290.451 2.790 20 0 CFADRP FC(F)(F)C1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414907006 303112447 /nfs/dbraw/zinc/11/24/47/303112447.db2.gz QHGPFTYWUFUNKR-MOENNCHZSA-N 2 0 264.335 2.839 20 0 CFADRP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000148641394 303112569 /nfs/dbraw/zinc/11/25/69/303112569.db2.gz IQKPDHKDIPYSRZ-UTUOFQBUSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc2cccnc21)C[NH+](C)C ZINC000291772513 198086858 /nfs/dbraw/zinc/08/68/58/198086858.db2.gz SYDCXYZCRUKJMH-ZDUSSCGKSA-N 2 0 257.381 2.522 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cnn(C)c1 ZINC000123032237 187066742 /nfs/dbraw/zinc/06/67/42/187066742.db2.gz ONNYDPSXSRPVFK-OAHLLOKOSA-N 2 0 298.434 2.867 20 0 CFADRP COCC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000124109727 187123067 /nfs/dbraw/zinc/12/30/67/187123067.db2.gz ZGPGGADEYUUTEU-OAHLLOKOSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccn(C)c1 ZINC000123296745 187083091 /nfs/dbraw/zinc/08/30/91/187083091.db2.gz NKQQXHVZLBUSLL-HNNXBMFYSA-N 2 0 263.429 2.769 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccn(C)c2)C1 ZINC000123305814 187083566 /nfs/dbraw/zinc/08/35/66/187083566.db2.gz NVNJLYNRHWIYSB-IYBDPMFKSA-N 2 0 277.456 2.873 20 0 CFADRP COc1ccc(OC)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123839185 187110873 /nfs/dbraw/zinc/11/08/73/187110873.db2.gz QVSRSXDACJNJFD-ZFWWWQNUSA-N 2 0 292.423 2.618 20 0 CFADRP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000123978215 187117285 /nfs/dbraw/zinc/11/72/85/187117285.db2.gz HWAWKNSEDLPTMJ-IUODEOHRSA-N 2 0 260.381 2.731 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000134114041 539826380 /nfs/dbraw/zinc/82/63/80/539826380.db2.gz RHJVOZOXFMWVBJ-ZFWWWQNUSA-N 2 0 256.434 2.512 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000134162413 539828280 /nfs/dbraw/zinc/82/82/80/539828280.db2.gz NRGUIERZFVRGIW-ZWKOTPCHSA-N 2 0 293.499 2.596 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@@H](C)C1 ZINC000271471251 191157740 /nfs/dbraw/zinc/15/77/40/191157740.db2.gz ITOGGEOYFGJSOG-LEUOFYLZSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000271481905 191163360 /nfs/dbraw/zinc/16/33/60/191163360.db2.gz KHSUQEYRBVGLBA-HUMVNOLHSA-N 2 0 272.436 2.936 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@H](C)C1 ZINC000271523606 191190533 /nfs/dbraw/zinc/19/05/33/191190533.db2.gz VGVOLBVUNIBGPX-DOMZBBRYSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@H]([NH2+]C1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271547022 191205729 /nfs/dbraw/zinc/20/57/29/191205729.db2.gz ZKNXHRQNEYLBBP-ZDUSSCGKSA-N 2 0 262.397 2.830 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000093442979 539901237 /nfs/dbraw/zinc/90/12/37/539901237.db2.gz IPOPKHRDSQJBGX-IRXDYDNUSA-N 2 0 288.435 2.859 20 0 CFADRP CCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422735847 282834188 /nfs/dbraw/zinc/83/41/88/282834188.db2.gz WUTPXIUMODVSAK-GDBMZVCRSA-N 2 0 260.381 2.632 20 0 CFADRP Cc1cc(C)cc(OCC[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000110650720 539905487 /nfs/dbraw/zinc/90/54/87/539905487.db2.gz FJMYSYPFPKXEND-HNNXBMFYSA-N 2 0 276.424 2.741 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292133312 198175748 /nfs/dbraw/zinc/17/57/48/198175748.db2.gz LMACYNBSFQEJMK-GOSISDBHSA-N 2 0 272.436 2.819 20 0 CFADRP Cc1ccccc1CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292237700 198213213 /nfs/dbraw/zinc/21/32/13/198213213.db2.gz WJHKGLKZSDCUDJ-GOSISDBHSA-N 2 0 272.436 2.955 20 0 CFADRP COCC[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152721581 188038740 /nfs/dbraw/zinc/03/87/40/188038740.db2.gz ZJOVFQREBOCBHH-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000152237630 188004847 /nfs/dbraw/zinc/00/48/47/188004847.db2.gz NKJYZCDQIZUZET-INMHGKMJSA-N 2 0 298.434 2.691 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000153724184 188100225 /nfs/dbraw/zinc/10/02/25/188100225.db2.gz FLJXZPBVNQYUDG-CYBMUJFWSA-N 2 0 270.442 2.675 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000094950412 539979388 /nfs/dbraw/zinc/97/93/88/539979388.db2.gz FDIVRRCBDLGGCT-CQSZACIVSA-N 2 0 278.415 2.997 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2sccc2C)CC1 ZINC000154267133 188132930 /nfs/dbraw/zinc/13/29/30/188132930.db2.gz WXAALXYVCZZZMU-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)c2ccccc2)[C@H](C)C1 ZINC000156139516 188245315 /nfs/dbraw/zinc/24/53/15/188245315.db2.gz VRZHAIICWAHWMU-NUJGCVRESA-N 2 0 289.467 2.831 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156148969 188246370 /nfs/dbraw/zinc/24/63/70/188246370.db2.gz XZWYHAIITXFUEZ-IAGOWNOFSA-N 2 0 258.409 2.754 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CCCC2)cc1 ZINC000423302876 282989583 /nfs/dbraw/zinc/98/95/83/282989583.db2.gz KURUIXKCQCDUQP-INIZCTEOSA-N 2 0 262.372 2.866 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156938909 188288691 /nfs/dbraw/zinc/28/86/91/188288691.db2.gz IUTKZWPBQVXLBV-VYDXJSESSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000157065229 188295355 /nfs/dbraw/zinc/29/53/55/188295355.db2.gz PSZTUMFTWQJSOK-DOMZBBRYSA-N 2 0 266.816 2.955 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cncc(OCC)c2)CC1 ZINC000621333524 353325933 /nfs/dbraw/zinc/32/59/33/353325933.db2.gz HHLHPWUUGNIGLM-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000621377480 353344730 /nfs/dbraw/zinc/34/47/30/353344730.db2.gz ZEBHQQBCWQWIMA-ZDUSSCGKSA-N 2 0 292.333 2.711 20 0 CFADRP CC1CC(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000621384056 353348193 /nfs/dbraw/zinc/34/81/93/353348193.db2.gz ZYPQOFZTULWFIB-UHFFFAOYSA-N 2 0 276.424 2.763 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])ccn1 ZINC000621776094 353422367 /nfs/dbraw/zinc/42/23/67/353422367.db2.gz BWNGBBAPRJKUTP-CZUORRHYSA-N 2 0 261.413 2.729 20 0 CFADRP Clc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000621776766 353422527 /nfs/dbraw/zinc/42/25/27/353422527.db2.gz VVVOOJOUXQBDQG-OAHLLOKOSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cncc(Cl)c1)CC[NH2+]CC2 ZINC000621776277 353422617 /nfs/dbraw/zinc/42/26/17/353422617.db2.gz HSTNHVBRZVWFPG-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158504952 188379368 /nfs/dbraw/zinc/37/93/68/188379368.db2.gz QMESFJHJNBRQRT-WMZOPIPTSA-N 2 0 288.435 2.654 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000158681629 188388808 /nfs/dbraw/zinc/38/88/08/188388808.db2.gz BRTIVQLOMBHQON-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CC1(F)F ZINC000622043682 353468500 /nfs/dbraw/zinc/46/85/00/353468500.db2.gz HQRBMMLOOYRREP-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000622044048 353468650 /nfs/dbraw/zinc/46/86/50/353468650.db2.gz SIVPKELLNAPYJA-UMSGYPCISA-N 2 0 258.356 2.542 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000622043561 353468720 /nfs/dbraw/zinc/46/87/20/353468720.db2.gz DKJCXZQTSWUIAL-REWJHTLYSA-N 2 0 272.383 2.932 20 0 CFADRP CCCOc1ccc(C[NH2+]CCc2cncn2C)c(C)c1 ZINC000623085973 353584875 /nfs/dbraw/zinc/58/48/75/353584875.db2.gz QAQZXVLSOLNYOT-UHFFFAOYSA-N 2 0 287.407 2.850 20 0 CFADRP Cc1cc(Cl)cc(C[NH2+]CCCN(C)CC[NH+](C)C)c1 ZINC000623087785 353585701 /nfs/dbraw/zinc/58/57/01/353585701.db2.gz ICQSENNSJFQTLE-UHFFFAOYSA-N 2 0 297.874 2.622 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623375009 353629132 /nfs/dbraw/zinc/62/91/32/353629132.db2.gz YUTKVRPJEFSLHS-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402167 353635538 /nfs/dbraw/zinc/63/55/38/353635538.db2.gz AGZRKAUFDKXJLM-DZGCQCFKSA-N 2 0 276.424 2.786 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426642 353641049 /nfs/dbraw/zinc/64/10/49/353641049.db2.gz ULMCIMGALKAVJX-CQSZACIVSA-N 2 0 270.461 2.780 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623438423 353644735 /nfs/dbraw/zinc/64/47/35/353644735.db2.gz ZTNVRXOXEFWMOA-IAGOWNOFSA-N 2 0 290.451 2.707 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CC1(C)C ZINC000623512631 353661093 /nfs/dbraw/zinc/66/10/93/353661093.db2.gz OZMYKSQCTOLFRA-NEPJUHHUSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)CC1(C)C ZINC000623514882 353661686 /nfs/dbraw/zinc/66/16/86/353661686.db2.gz DAIVYRTUPSKCQC-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCSC2)CC1(C)C ZINC000623525556 353663470 /nfs/dbraw/zinc/66/34/70/353663470.db2.gz RKPCSEVGLSDVNT-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3ccc(F)cc3C2)CC1(C)C ZINC000623526641 353663931 /nfs/dbraw/zinc/66/39/31/353663931.db2.gz LDNCBQYBXMQVFZ-LSDHHAIUSA-N 2 0 292.398 2.592 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623528742 353664795 /nfs/dbraw/zinc/66/47/95/353664795.db2.gz AHQUXPPKYKXORG-LSDHHAIUSA-N 2 0 269.477 2.569 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC000623528929 353664900 /nfs/dbraw/zinc/66/49/00/353664900.db2.gz LVRBAGHTZQOLDX-JKSUJKDBSA-N 2 0 288.435 2.761 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCC2CCOCC2)CC1(C)C ZINC000623534271 353665863 /nfs/dbraw/zinc/66/58/63/353665863.db2.gz GKVJNYZWYJWPPH-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623559052 353670984 /nfs/dbraw/zinc/67/09/84/353670984.db2.gz QQGOHAQJINFUBC-BPUTZDHNSA-N 2 0 252.446 2.989 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC1(C)C ZINC000623559435 353671703 /nfs/dbraw/zinc/67/17/03/353671703.db2.gz ASGUTMHXFYEIIC-CVEARBPZSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1(C)C ZINC000623569433 353674558 /nfs/dbraw/zinc/67/45/58/353674558.db2.gz HGNZSEWHRKJYNI-QPSCCSFWSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623655444 353696780 /nfs/dbraw/zinc/69/67/80/353696780.db2.gz XWGPBINAKPBXFN-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1(C)C ZINC000623574774 353676089 /nfs/dbraw/zinc/67/60/89/353676089.db2.gz XBNHGQAROXXIBK-PQEBFOHHSA-N 2 0 288.410 2.926 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000623607504 353684378 /nfs/dbraw/zinc/68/43/78/353684378.db2.gz HXZLGLWQKGQSST-OWCLPIDISA-N 2 0 286.419 2.515 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623654511 353695599 /nfs/dbraw/zinc/69/55/99/353695599.db2.gz BGKSNDWZWKSKIG-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP CCC1(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCOCC1 ZINC000623656776 353698332 /nfs/dbraw/zinc/69/83/32/353698332.db2.gz BLIRPACKDLFADM-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1sccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657305 353698342 /nfs/dbraw/zinc/69/83/42/353698342.db2.gz NBCUDKIZUGPWAI-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP C/C=C/C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000623739266 353714697 /nfs/dbraw/zinc/71/46/97/353714697.db2.gz OTUAFWGANMSNSA-HWKANZROSA-N 2 0 287.451 2.884 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(C)ccc1C ZINC000623968061 353771504 /nfs/dbraw/zinc/77/15/04/353771504.db2.gz RWIFMAWZBWPDML-KRWDZBQOSA-N 2 0 278.440 2.922 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000271714259 191286524 /nfs/dbraw/zinc/28/65/24/191286524.db2.gz VNTPYUJIFVGNON-ZFWWWQNUSA-N 2 0 262.397 2.830 20 0 CFADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCCO1 ZINC000623853491 353740266 /nfs/dbraw/zinc/74/02/66/353740266.db2.gz ZYXZRYGYZFAMSH-GXTWGEPZSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)[C@@H]1CCCCO1 ZINC000624078000 353799578 /nfs/dbraw/zinc/79/95/78/353799578.db2.gz KUMQLZDPZFTTHC-XIRDDKMYSA-N 2 0 280.456 2.941 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@H](C)C1 ZINC000624113048 353808877 /nfs/dbraw/zinc/80/88/77/353808877.db2.gz UXBPFRGTSIIREY-CVEARBPZSA-N 2 0 289.467 2.988 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624119921 353811112 /nfs/dbraw/zinc/81/11/12/353811112.db2.gz MQSZOANPJCYCSH-GJZGRUSLSA-N 2 0 264.413 2.922 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624120009 353811155 /nfs/dbraw/zinc/81/11/55/353811155.db2.gz PKYITEWYEFEQIA-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000624122212 353811438 /nfs/dbraw/zinc/81/14/38/353811438.db2.gz MIFHLVLIBFMMQH-WLYUNCDWSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1csc([C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000624122930 353811582 /nfs/dbraw/zinc/81/15/82/353811582.db2.gz BHDJPWHJQGOKIG-STQMWFEESA-N 2 0 267.442 2.834 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624122602 353812110 /nfs/dbraw/zinc/81/21/10/353812110.db2.gz WPTPBMILHHFYTI-CABCVRRESA-N 2 0 261.413 2.773 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000624124169 353813253 /nfs/dbraw/zinc/81/32/53/353813253.db2.gz YYFXURLVTQUKLF-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP CCSc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000624336006 353865025 /nfs/dbraw/zinc/86/50/25/353865025.db2.gz FVORNVSQGCWXBZ-HIFRSBDPSA-N 2 0 294.464 2.516 20 0 CFADRP c1nc2c([nH]1)C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000625435234 354045070 /nfs/dbraw/zinc/04/50/70/354045070.db2.gz ORHCVWAGHPGODD-KBPBESRZSA-N 2 0 253.349 2.572 20 0 CFADRP CC[N@H+](CCCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062080 354183237 /nfs/dbraw/zinc/18/32/37/354183237.db2.gz FRVPLHSFMRJHPO-UHFFFAOYSA-N 2 0 264.413 2.607 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423257630 283019847 /nfs/dbraw/zinc/01/98/47/283019847.db2.gz KKDVNNWAEQODOG-LRDDRELGSA-N 2 0 262.372 2.792 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423467869 283019870 /nfs/dbraw/zinc/01/98/70/283019870.db2.gz BSIBXJDIKXUZLV-WBMJQRKESA-N 2 0 262.372 2.935 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000628152455 354448949 /nfs/dbraw/zinc/44/89/49/354448949.db2.gz BNBCHGIESBTNEA-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000628152876 354449724 /nfs/dbraw/zinc/44/97/24/354449724.db2.gz RIYXXYYCHFQVGF-UHFFFAOYSA-N 2 0 277.412 2.716 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCS1 ZINC000628182075 354462065 /nfs/dbraw/zinc/46/20/65/354462065.db2.gz BPYNICRNKYIDQC-GJZGRUSLSA-N 2 0 268.470 2.690 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000628201831 354474350 /nfs/dbraw/zinc/47/43/50/354474350.db2.gz XGRQTZOYDTYJSR-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628208470 354476762 /nfs/dbraw/zinc/47/67/62/354476762.db2.gz ONDSUZJJAJBHQU-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628308924 354535717 /nfs/dbraw/zinc/53/57/17/354535717.db2.gz RCEBNMJBTHFRCM-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1ccc([C@H](C)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000628253663 354504891 /nfs/dbraw/zinc/50/48/91/354504891.db2.gz RHWBORMTYLUMCB-OIISXLGYSA-N 2 0 258.409 2.592 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000628279009 354516639 /nfs/dbraw/zinc/51/66/39/354516639.db2.gz PYDCUHDGNNALOQ-ROUUACIJSA-N 2 0 295.515 2.772 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000628351883 354561661 /nfs/dbraw/zinc/56/16/61/354561661.db2.gz RBORDLDDBMXKSZ-RYRKJORJSA-N 2 0 294.483 2.734 20 0 CFADRP c1nc(C2CC2)oc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000628352895 354563076 /nfs/dbraw/zinc/56/30/76/354563076.db2.gz YGTUKHKUDMUJJM-UHFFFAOYSA-N 2 0 289.423 2.764 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000629388635 354799367 /nfs/dbraw/zinc/79/93/67/354799367.db2.gz VALTYZHMBYDFDL-DLBZAZTESA-N 2 0 288.435 2.810 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629397480 354802082 /nfs/dbraw/zinc/80/20/82/354802082.db2.gz WBFKLLJBGHPBMT-LMSBXDPUSA-N 2 0 287.451 2.552 20 0 CFADRP CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])CC1 ZINC000629400298 354802852 /nfs/dbraw/zinc/80/28/52/354802852.db2.gz TUFODUBOGNVJPH-GJZGRUSLSA-N 2 0 270.461 2.936 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000629406848 354804001 /nfs/dbraw/zinc/80/40/01/354804001.db2.gz ZHFGERFIGBTMRU-GDBMZVCRSA-N 2 0 296.842 2.802 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532199 354833728 /nfs/dbraw/zinc/83/37/28/354833728.db2.gz QPVZLRZNLQXKTH-NVXWUHKLSA-N 2 0 273.424 2.602 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc3ccc(C)cc3c2)CC1 ZINC000629511199 354823827 /nfs/dbraw/zinc/82/38/27/354823827.db2.gz KBUSDGCQHXYRKY-UHFFFAOYSA-N 2 0 283.419 2.975 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000629516499 354825762 /nfs/dbraw/zinc/82/57/62/354825762.db2.gz IKJGSOUATQKSPN-ZIAGYGMSSA-N 2 0 275.440 2.937 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519935 354826773 /nfs/dbraw/zinc/82/67/73/354826773.db2.gz IYLNNOKFSJJECX-LSDHHAIUSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)nc1 ZINC000629523962 354828563 /nfs/dbraw/zinc/82/85/63/354828563.db2.gz ORZHMAJZOTZEKL-CABCVRRESA-N 2 0 275.440 2.645 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629524470 354829709 /nfs/dbraw/zinc/82/97/09/354829709.db2.gz MMTYJQQHZKQYKU-ZFWWWQNUSA-N 2 0 274.408 2.641 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CCCC(F)(F)F ZINC000629527321 354831022 /nfs/dbraw/zinc/83/10/22/354831022.db2.gz RSUAIIYSJHENNB-GARJFASQSA-N 2 0 252.324 2.838 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000629531000 354834251 /nfs/dbraw/zinc/83/42/51/354834251.db2.gz XCZWGHYFBQSVNH-OAHLLOKOSA-N 2 0 278.440 2.772 20 0 CFADRP C[NH2+]CCC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000629647033 354874819 /nfs/dbraw/zinc/87/48/19/354874819.db2.gz JYSYOJVGBDEOJW-UHFFFAOYSA-N 2 0 286.419 2.784 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)CO2 ZINC000629649084 354876672 /nfs/dbraw/zinc/87/66/72/354876672.db2.gz HOEHQLUACRJDOY-MSOLQXFVSA-N 2 0 298.430 2.926 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC000629534586 354834965 /nfs/dbraw/zinc/83/49/65/354834965.db2.gz ARIYNOLKQXXSAV-WMLDXEAASA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc2ccccc21 ZINC000629537975 354837076 /nfs/dbraw/zinc/83/70/76/354837076.db2.gz JMVXIMVNZZZFBE-AWEZNQCLSA-N 2 0 272.392 2.856 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]CCOCCC[NH3+])cc1 ZINC000629542226 354839562 /nfs/dbraw/zinc/83/95/62/354839562.db2.gz WQOHIGZKTMRBES-MRXNPFEDSA-N 2 0 264.413 2.655 20 0 CFADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)s1 ZINC000629542162 354839625 /nfs/dbraw/zinc/83/96/25/354839625.db2.gz WFZRWBHKOGJJLM-SNVBAGLBSA-N 2 0 276.833 2.808 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CCOCCC[NH3+])C2CCCC2)o1 ZINC000629541441 354839642 /nfs/dbraw/zinc/83/96/42/354839642.db2.gz ZVCYRDUUWQNICX-INIZCTEOSA-N 2 0 280.412 2.774 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543445 354840316 /nfs/dbraw/zinc/84/03/16/354840316.db2.gz BOYSVIUSMCZQBN-LOWVWBTDSA-N 2 0 299.821 2.773 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544806 354841589 /nfs/dbraw/zinc/84/15/89/354841589.db2.gz JNHPROUMEQEDTH-ZIAGYGMSSA-N 2 0 295.789 2.972 20 0 CFADRP Cc1cnccc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000629545421 354841599 /nfs/dbraw/zinc/84/15/99/354841599.db2.gz HIZDYSYLKZJBMF-CZUORRHYSA-N 2 0 261.413 2.729 20 0 CFADRP CCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563599 354847750 /nfs/dbraw/zinc/84/77/50/354847750.db2.gz GWPLYBOZTDSJAH-WDEREUQCSA-N 2 0 252.324 2.636 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)Cc1ccc(OC)cc1 ZINC000629573130 354848662 /nfs/dbraw/zinc/84/86/62/354848662.db2.gz CHLQZOLYLQVMCP-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc2ccccc21 ZINC000629568344 354849050 /nfs/dbraw/zinc/84/90/50/354849050.db2.gz UCVMATHDYYMGSG-UHFFFAOYSA-N 2 0 272.392 2.508 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000629571033 354849404 /nfs/dbraw/zinc/84/94/04/354849404.db2.gz GDLCFPJUOCZQPM-SJLPKXTDSA-N 2 0 290.451 2.738 20 0 CFADRP Oc1cccc2c1CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000629581454 354849914 /nfs/dbraw/zinc/84/99/14/354849914.db2.gz BAEMUIJOXTYTDX-UHFFFAOYSA-N 2 0 294.398 2.596 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000629581119 354850020 /nfs/dbraw/zinc/85/00/20/354850020.db2.gz NQHXSGBKOZABGX-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000629652745 354878653 /nfs/dbraw/zinc/87/86/53/354878653.db2.gz DOMBMCJAMPDSBM-CYBMUJFWSA-N 2 0 284.831 2.611 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585517 354851382 /nfs/dbraw/zinc/85/13/82/354851382.db2.gz VZVQITLXOACTHL-HDICACEKSA-N 2 0 288.435 2.559 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc3cccnc31)C2 ZINC000629585128 354851394 /nfs/dbraw/zinc/85/13/94/354851394.db2.gz KZUGZHAXRFCOHK-HDICACEKSA-N 2 0 281.403 2.666 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585505 354851709 /nfs/dbraw/zinc/85/17/09/354851709.db2.gz VXPJFAXJUDAOKD-HDICACEKSA-N 2 0 288.435 2.695 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629589427 354852230 /nfs/dbraw/zinc/85/22/30/354852230.db2.gz WHXUNYDXHVEMJW-UKRRQHHQSA-N 2 0 292.398 2.623 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000629588432 354852480 /nfs/dbraw/zinc/85/24/80/354852480.db2.gz HSUGUEFHDQPOES-HIFRSBDPSA-N 2 0 292.398 2.623 20 0 CFADRP CO[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCCC1 ZINC000629596444 354854972 /nfs/dbraw/zinc/85/49/72/354854972.db2.gz ZUGDEPYYHFFLJU-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH2+]CCn1cc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)cn1 ZINC000629700738 354899994 /nfs/dbraw/zinc/89/99/94/354899994.db2.gz MWNWUOJYWSPCEG-OAHLLOKOSA-N 2 0 298.434 2.754 20 0 CFADRP C[N@H+](Cc1cccc(-c2ncc(C[NH3+])s2)c1)C1CC1 ZINC000629708296 354903486 /nfs/dbraw/zinc/90/34/86/354903486.db2.gz DNZOGBSWNVQXDM-UHFFFAOYSA-N 2 0 273.405 2.863 20 0 CFADRP c1cc(C[C@H]2CCCC[NH2+]2)cc(C2=CC[NH2+]CC2)c1 ZINC000629723513 354908725 /nfs/dbraw/zinc/90/87/25/354908725.db2.gz NSMGSHJKBUBBIO-QGZVFWFLSA-N 2 0 256.393 2.748 20 0 CFADRP [NH3+]Cc1ccc(C2=CC[NH2+]CC2)cc1C(F)(F)F ZINC000629723549 354909148 /nfs/dbraw/zinc/90/91/48/354909148.db2.gz OUYLYONXEHIIME-UHFFFAOYSA-N 2 0 256.271 2.541 20 0 CFADRP C[NH+](C)Cc1ccc(F)c(-c2ccc([C@@H]([NH3+])CO)cc2)c1 ZINC000629736765 354915937 /nfs/dbraw/zinc/91/59/37/354915937.db2.gz JZRJLTQAYDGOKL-KRWDZBQOSA-N 2 0 288.366 2.546 20 0 CFADRP COCC[C@@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297829209 540087418 /nfs/dbraw/zinc/08/74/18/540087418.db2.gz ZOAOCRXIBBKDHV-OAHLLOKOSA-N 2 0 299.418 2.782 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@H]21 ZINC000228544938 540104674 /nfs/dbraw/zinc/10/46/74/540104674.db2.gz MAWQZUPJUDCKHH-APHBMKBZSA-N 2 0 294.439 2.977 20 0 CFADRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1Cl ZINC000271792812 191330716 /nfs/dbraw/zinc/33/07/16/191330716.db2.gz HFRDHYVYMQKPBG-UHFFFAOYSA-N 2 0 280.799 2.700 20 0 CFADRP COc1ccc2oc(C[NH2+]CC3=CC[N@H+](C)CC3)cc2c1 ZINC000271827449 191352373 /nfs/dbraw/zinc/35/23/73/191352373.db2.gz DNSDPGCREFIYFJ-UHFFFAOYSA-N 2 0 286.375 2.793 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(F)c1 ZINC000271831689 191354190 /nfs/dbraw/zinc/35/41/90/191354190.db2.gz FDGARGVNQOIFOA-LBPRGKRZSA-N 2 0 278.371 2.747 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631042951 355261948 /nfs/dbraw/zinc/26/19/48/355261948.db2.gz OKWGDJBNBUAQIL-CQSZACIVSA-N 2 0 277.412 2.531 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000631055768 355268360 /nfs/dbraw/zinc/26/83/60/355268360.db2.gz GAMDTTASJNPSCN-NVXWUHKLSA-N 2 0 287.451 2.649 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000271894876 191395017 /nfs/dbraw/zinc/39/50/17/191395017.db2.gz PDYZPSWIAMZKTP-UHFFFAOYSA-N 2 0 279.453 2.792 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271857242 191372619 /nfs/dbraw/zinc/37/26/19/191372619.db2.gz JRLPDZDBFDMJKX-ZDUSSCGKSA-N 2 0 260.381 2.608 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000271859683 191374425 /nfs/dbraw/zinc/37/44/25/191374425.db2.gz JXGPDXABWMWTEN-NSHDSACASA-N 2 0 279.453 2.926 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109393 355296311 /nfs/dbraw/zinc/29/63/11/355296311.db2.gz DWDXXEIIWNRRAJ-ZFWWWQNUSA-N 2 0 289.423 2.530 20 0 CFADRP C1CC([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCCO2)C1 ZINC000631254172 355376308 /nfs/dbraw/zinc/37/63/08/355376308.db2.gz KFECRDLKWQNSDU-NCOADZHNSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccncc1 ZINC000631195869 355343450 /nfs/dbraw/zinc/34/34/50/355343450.db2.gz KYBQIKHDQLTXNV-LPHOPBHVSA-N 2 0 295.430 2.939 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000631570018 355492123 /nfs/dbraw/zinc/49/21/23/355492123.db2.gz PNZPQHLEYMTTRF-GRDNDAEWSA-N 2 0 271.408 2.675 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCc2ncccc21)C[NH+]1CCCC1 ZINC000631570426 355493129 /nfs/dbraw/zinc/49/31/29/355493129.db2.gz VJKGTHHWKMMVAW-RHSMWYFYSA-N 2 0 273.424 2.781 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631652585 355534318 /nfs/dbraw/zinc/53/43/18/355534318.db2.gz SPFVMSSEVXUZAG-QZWWFDLISA-N 2 0 292.467 2.656 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666276 355538235 /nfs/dbraw/zinc/53/82/35/355538235.db2.gz DPKNZKLHYWODCN-XYJFISCASA-N 2 0 290.451 2.769 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665307 355538292 /nfs/dbraw/zinc/53/82/92/355538292.db2.gz VFZLLCPZKJJPMS-CGTJXYLNSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000631680373 355545470 /nfs/dbraw/zinc/54/54/70/355545470.db2.gz PUOPNJNFZBRFCR-INMHGKMJSA-N 2 0 282.472 2.780 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000631621741 355518418 /nfs/dbraw/zinc/51/84/18/355518418.db2.gz JXHYXDFRBYFOED-GOSISDBHSA-N 2 0 285.435 2.923 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631638007 355526165 /nfs/dbraw/zinc/52/61/65/355526165.db2.gz UTFNAORVBSGQSE-RHSMWYFYSA-N 2 0 273.424 2.781 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)n1 ZINC000631825338 355596661 /nfs/dbraw/zinc/59/66/61/355596661.db2.gz GHVXVFPWRFLXRN-OAHLLOKOSA-N 2 0 261.413 2.568 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000631827798 355597174 /nfs/dbraw/zinc/59/71/74/355597174.db2.gz WWAADJVMYGZDMJ-IRXDYDNUSA-N 2 0 287.451 2.828 20 0 CFADRP Fc1ccccc1OC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000631835559 355599486 /nfs/dbraw/zinc/59/94/86/355599486.db2.gz CMXISDHCAPBATL-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(CCF)CC2)cc1 ZINC000631836752 355600639 /nfs/dbraw/zinc/60/06/39/355600639.db2.gz GJBSBGKHDWQJAL-INIZCTEOSA-N 2 0 294.414 2.809 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000631836628 355600741 /nfs/dbraw/zinc/60/07/41/355600741.db2.gz CSQPFSWRVRQOQG-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837606 355600890 /nfs/dbraw/zinc/60/08/90/355600890.db2.gz VFLSZOJNONAIHU-XJKSGUPXSA-N 2 0 276.424 2.845 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH+]2CCC([NH2+]CCO)CC2)c(C)c1 ZINC000631864086 355609274 /nfs/dbraw/zinc/60/92/74/355609274.db2.gz IDSCTNCMNPRHRX-INIZCTEOSA-N 2 0 290.451 2.719 20 0 CFADRP Fc1cccc(O[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000631879164 355611517 /nfs/dbraw/zinc/61/15/17/355611517.db2.gz MOAWVZAKXSRMAD-KRWDZBQOSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229247946 540176531 /nfs/dbraw/zinc/17/65/31/540176531.db2.gz PXVMNRFEZPWJIQ-UKRRQHHQSA-N 2 0 266.429 2.537 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887371 355614514 /nfs/dbraw/zinc/61/45/14/355614514.db2.gz QYFNHQKAAFXKIN-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888633 355614595 /nfs/dbraw/zinc/61/45/95/355614595.db2.gz YDKLCTUHSCHSJQ-VQHPVUNQSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229367991 540180095 /nfs/dbraw/zinc/18/00/95/540180095.db2.gz TVCNANASFHHFLG-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2scnc2C2CC2)C1 ZINC000334399610 540191018 /nfs/dbraw/zinc/19/10/18/540191018.db2.gz DLEJWZQRSUNRAU-ZIAGYGMSSA-N 2 0 291.464 2.937 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000353520962 283133712 /nfs/dbraw/zinc/13/37/12/283133712.db2.gz QGLBGQRUCUHGGD-PMPSAXMXSA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@H]2CCC[C@H]21 ZINC000353535622 283134838 /nfs/dbraw/zinc/13/48/38/283134838.db2.gz WKRCXWVHCDREDN-QLFBSQMISA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000375861256 283135098 /nfs/dbraw/zinc/13/50/98/283135098.db2.gz MNDITOMXCCGBFK-WOPDTQHZSA-N 2 0 264.335 2.791 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@H]2CCC[C@@H]21 ZINC000353403291 283139219 /nfs/dbraw/zinc/13/92/19/283139219.db2.gz KGIWMLSECXSNHV-QPSCCSFWSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(CC[C@@H]2CCCC[NH+]2C)C[C@@H](C)C1 ZINC000429018387 291096544 /nfs/dbraw/zinc/09/65/44/291096544.db2.gz GZKDSMLLHKTARK-OWSLCNJRSA-N 2 0 293.499 2.523 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000336319837 540254414 /nfs/dbraw/zinc/25/44/14/540254414.db2.gz BGNUWGPPQGBOSC-INIZCTEOSA-N 2 0 260.356 2.665 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422767450 291114041 /nfs/dbraw/zinc/11/40/41/291114041.db2.gz SCVKWYOCKHHQNU-JUVOFCAFSA-N 3 0 295.515 2.850 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000086894741 540255609 /nfs/dbraw/zinc/25/56/09/540255609.db2.gz AMZJNNMAZSPEQG-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](C)CC1)N1CC[NH+](C)CC1 ZINC000086889178 540255653 /nfs/dbraw/zinc/25/56/53/540255653.db2.gz VAJLZKFLCDDBFB-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422702840 283214097 /nfs/dbraw/zinc/21/40/97/283214097.db2.gz GBLBWDJFYGDMQW-JKSUJKDBSA-N 2 0 269.477 2.606 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000163870672 283214679 /nfs/dbraw/zinc/21/46/79/283214679.db2.gz CFUJNKXQDHNBNF-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOC2CCCCCC2)C1 ZINC000568248683 290539746 /nfs/dbraw/zinc/53/97/46/290539746.db2.gz XVELOMZYFDJBMF-ZIAGYGMSSA-N 2 0 254.418 2.585 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568604672 290561389 /nfs/dbraw/zinc/56/13/89/290561389.db2.gz UELQZFSHMCYDKD-DYVFJYSZSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000569000535 290582206 /nfs/dbraw/zinc/58/22/06/290582206.db2.gz LFZHBLTTYBEVCV-BBWFWOEESA-N 2 0 287.451 2.763 20 0 CFADRP Fc1ccc(F)c(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339073630 540281952 /nfs/dbraw/zinc/28/19/52/540281952.db2.gz BZCKHXRYSNVIPZ-GJZGRUSLSA-N 2 0 280.362 2.724 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339077067 540282605 /nfs/dbraw/zinc/28/26/05/540282605.db2.gz YZEXGYZOFDKWSD-ADHGMGHFSA-N 2 0 293.499 2.569 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065418 540282716 /nfs/dbraw/zinc/28/27/16/540282716.db2.gz BQHUSAGGZLVTPS-ZACQAIPSSA-N 2 0 270.420 2.933 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1cccc(F)c1 ZINC000339075573 540282823 /nfs/dbraw/zinc/28/28/23/540282823.db2.gz PJYGAJZIYNIPCN-KBMXLJTQSA-N 2 0 292.398 2.809 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1F ZINC000339071178 540284082 /nfs/dbraw/zinc/28/40/82/540284082.db2.gz RTWIOLSVCXNWFV-KFWWJZLASA-N 2 0 292.398 2.809 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000233766853 540299643 /nfs/dbraw/zinc/29/96/43/540299643.db2.gz LKISTORWUGGOPH-HOTGVXAUSA-N 2 0 274.408 2.583 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089142314 540308749 /nfs/dbraw/zinc/30/87/49/540308749.db2.gz DFSFCPXXDDPUGN-BZPMIXESSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040836 299270014 /nfs/dbraw/zinc/27/00/14/299270014.db2.gz ICCYWJKHLFLNSX-ORBLRFAASA-N 3 0 293.499 2.747 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)OC)CC1 ZINC000020524736 283320688 /nfs/dbraw/zinc/32/06/88/283320688.db2.gz NAYQFYCBCAOHMK-CYBMUJFWSA-N 2 0 256.434 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ncccc2C)[C@H](C)C1 ZINC000294683524 199133314 /nfs/dbraw/zinc/13/33/14/199133314.db2.gz ADJPZZNYBZVYMT-WBVHZDCISA-N 2 0 275.440 2.643 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251497072 540387464 /nfs/dbraw/zinc/38/74/64/540387464.db2.gz KHRGGOOREVAZRH-SNPRPXQTSA-N 2 0 264.438 2.896 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000294697113 199138564 /nfs/dbraw/zinc/13/85/64/199138564.db2.gz CSWZPLZYVCDKFH-CABCVRRESA-N 2 0 273.424 2.576 20 0 CFADRP Cc1cccc(NC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420309240 236609215 /nfs/dbraw/zinc/60/92/15/236609215.db2.gz DTLMBAFLXCNROV-INIZCTEOSA-N 2 0 287.451 2.871 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423376198 291163489 /nfs/dbraw/zinc/16/34/89/291163489.db2.gz KVWINCBRRTTXSP-CIGZNWKYSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678421690 540430596 /nfs/dbraw/zinc/43/05/96/540430596.db2.gz HYCDRSZBIBKWNC-HIFRSBDPSA-N 2 0 261.413 2.691 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000252221871 540431163 /nfs/dbraw/zinc/43/11/63/540431163.db2.gz ZGIHOBIYKZKICQ-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423332959 283430867 /nfs/dbraw/zinc/43/08/67/283430867.db2.gz ROSXEMOSXAGMCP-MRXNPFEDSA-N 2 0 274.408 2.718 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000424371236 540462686 /nfs/dbraw/zinc/46/26/86/540462686.db2.gz DEZZQZMADBZENZ-OAHLLOKOSA-N 2 0 288.435 2.968 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252700237 540465287 /nfs/dbraw/zinc/46/52/87/540465287.db2.gz YSINSUZGKQVTOK-JKSUJKDBSA-N 2 0 288.435 2.873 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000678601794 540469046 /nfs/dbraw/zinc/46/90/46/540469046.db2.gz GIHAVKGUOVDXQR-WBVHZDCISA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000678604791 540471340 /nfs/dbraw/zinc/47/13/40/540471340.db2.gz PHIUUFTZQSQXHH-YZUHTNEWSA-N 2 0 280.456 2.939 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422561992 237106593 /nfs/dbraw/zinc/10/65/93/237106593.db2.gz OTTZBYDCPVILGT-YDHLFZDLSA-N 2 0 278.444 2.578 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698797 237121215 /nfs/dbraw/zinc/12/12/15/237121215.db2.gz BAMBQGMBGNGVRT-KGLIPLIRSA-N 2 0 264.800 2.841 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000422737328 237150671 /nfs/dbraw/zinc/15/06/71/237150671.db2.gz XIEVRQBGXCZVHL-USXIJHARSA-N 2 0 293.430 2.536 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422737864 237152923 /nfs/dbraw/zinc/15/29/23/237152923.db2.gz IQOTVXIOYHBTBU-XYPWUTKMSA-N 2 0 274.408 2.637 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422742630 237154841 /nfs/dbraw/zinc/15/48/41/237154841.db2.gz SDUORILMBQBSSR-JZWPEALZSA-N 2 0 274.408 2.635 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739840 237155229 /nfs/dbraw/zinc/15/52/29/237155229.db2.gz MIZDOGQNWUBIQG-BRSBDYLESA-N 2 0 288.435 2.884 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422742409 237155748 /nfs/dbraw/zinc/15/57/48/237155748.db2.gz GHHWXGJLPHOIEC-NXHRZFHOSA-N 2 0 287.451 2.905 20 0 CFADRP C[C@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000422699812 237122562 /nfs/dbraw/zinc/12/25/62/237122562.db2.gz BFAKOZWFAPJFBO-NSHDSACASA-N 2 0 286.341 2.836 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727688 237141105 /nfs/dbraw/zinc/14/11/05/237141105.db2.gz DCLPOXPHDRYHGY-RKDXNWHRSA-N 2 0 289.192 2.804 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000678931146 540516484 /nfs/dbraw/zinc/51/64/84/540516484.db2.gz OMUYTASGSDFNOH-LBPRGKRZSA-N 2 0 250.411 2.531 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000422768536 237184529 /nfs/dbraw/zinc/18/45/29/237184529.db2.gz UQZHGBJAUCOLRJ-ZJIFWQFVSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000251470606 540537081 /nfs/dbraw/zinc/53/70/81/540537081.db2.gz KROVCJXTFVEGRH-IAGOWNOFSA-N 2 0 258.409 2.959 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422768472 237185374 /nfs/dbraw/zinc/18/53/74/237185374.db2.gz NXOFUKVVWCDUFL-CHWSQXEVSA-N 2 0 252.427 2.803 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422769600 237185402 /nfs/dbraw/zinc/18/54/02/237185402.db2.gz VRGDMULJPBURQD-BKQLOGFTSA-N 2 0 296.361 2.605 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000422768639 237186102 /nfs/dbraw/zinc/18/61/02/237186102.db2.gz ZJLKLEQWKLXVJY-SNVBAGLBSA-N 2 0 261.394 2.761 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000251558871 540539812 /nfs/dbraw/zinc/53/98/12/540539812.db2.gz BKKDKLCKPOOPQW-JMSVASOKSA-N 2 0 250.361 2.946 20 0 CFADRP Cc1[nH+]c2cc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1C ZINC000679153335 540542010 /nfs/dbraw/zinc/54/20/10/540542010.db2.gz RVEDARSLRZVYAA-BXUZGUMPSA-N 2 0 272.396 2.776 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc(F)cc1 ZINC000422745712 237160691 /nfs/dbraw/zinc/16/06/91/237160691.db2.gz VOEOMTQKQIYQNI-WOSRLPQWSA-N 2 0 264.388 2.907 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)c2ccccc21 ZINC000422751366 237165427 /nfs/dbraw/zinc/16/54/27/237165427.db2.gz CLOBMDHBUGVZJW-LZQZEXGQSA-N 2 0 296.414 2.572 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422752226 237165759 /nfs/dbraw/zinc/16/57/59/237165759.db2.gz CHUGOIWKYOCQHK-VXGBXAGGSA-N 2 0 252.377 2.819 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422753435 237168424 /nfs/dbraw/zinc/16/84/24/237168424.db2.gz IHBFNMZRTDGTLY-HZPDHXFCSA-N 2 0 262.397 2.623 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422753469 237169984 /nfs/dbraw/zinc/16/99/84/237169984.db2.gz IJFCJZGSBYHOHZ-CVEARBPZSA-N 2 0 261.413 2.738 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422758241 237173576 /nfs/dbraw/zinc/17/35/76/237173576.db2.gz NRYZNNDAEGHXJO-LPHOPBHVSA-N 2 0 298.430 2.922 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000422757892 237174049 /nfs/dbraw/zinc/17/40/49/237174049.db2.gz NHSQKUHCBKQTTE-JQWIXIFHSA-N 2 0 288.794 2.884 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250837297 540531909 /nfs/dbraw/zinc/53/19/09/540531909.db2.gz BXYPMDPSDUSWOT-VDHUWJSZSA-N 2 0 270.420 2.837 20 0 CFADRP COCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000422763424 237177631 /nfs/dbraw/zinc/17/76/31/237177631.db2.gz NRJCLGNSQJWHPE-CZUORRHYSA-N 2 0 280.387 2.579 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422794697 237218263 /nfs/dbraw/zinc/21/82/63/237218263.db2.gz UQUSHBNTELSCAL-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(F)c1 ZINC000422796039 237218695 /nfs/dbraw/zinc/21/86/95/237218695.db2.gz XKUVSYCHPDOJCN-ZENOOKHLSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1ccc(Cl)cc1 ZINC000422794861 237219292 /nfs/dbraw/zinc/21/92/92/237219292.db2.gz HBFZGTORVYRYKA-SDDRHHMPSA-N 2 0 270.804 2.823 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cccs1)C1CC1 ZINC000422799055 237220731 /nfs/dbraw/zinc/22/07/31/237220731.db2.gz UVYKHVCNIGTMHO-OCCSQVGLSA-N 2 0 268.426 2.543 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2F)CC[C@H]1[NH3+] ZINC000251726336 540550201 /nfs/dbraw/zinc/55/02/01/540550201.db2.gz KEMVVDUYXCSORM-LALPHHSUSA-N 2 0 250.361 2.946 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2F)CC[C@@H]1[NH3+] ZINC000251726334 540550425 /nfs/dbraw/zinc/55/04/25/540550425.db2.gz KEMVVDUYXCSORM-JMSVASOKSA-N 2 0 250.361 2.946 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@H]1[NH3+] ZINC000251771916 540551251 /nfs/dbraw/zinc/55/12/51/540551251.db2.gz MMYYVBPAWHTBPJ-GOEBONIOSA-N 2 0 269.392 2.794 20 0 CFADRP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422804386 237226827 /nfs/dbraw/zinc/22/68/27/237226827.db2.gz KIMDRXXBTLEWLP-OWCLPIDISA-N 2 0 280.362 2.975 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422780335 237199952 /nfs/dbraw/zinc/19/99/52/237199952.db2.gz CXALMBQQIZLAJY-QQFBHYJXSA-N 2 0 276.424 2.869 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccc(F)cc1 ZINC000422781559 237201171 /nfs/dbraw/zinc/20/11/71/237201171.db2.gz FHXNGNLZHMHEAP-DNOWBOINSA-N 2 0 280.387 2.700 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422783957 237206907 /nfs/dbraw/zinc/20/69/07/237206907.db2.gz LQCZNLQIBBMJOS-CABCVRRESA-N 2 0 287.432 2.822 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000422786836 237209957 /nfs/dbraw/zinc/20/99/57/237209957.db2.gz SZNRZERCFJBYFU-WMLDXEAASA-N 2 0 283.419 2.755 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422790341 237212556 /nfs/dbraw/zinc/21/25/56/237212556.db2.gz XQLIJRFVYHDDKI-CKEIUWERSA-N 2 0 276.424 2.919 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Sc1ccccc1 ZINC000422793125 237216227 /nfs/dbraw/zinc/21/62/27/237216227.db2.gz RRNOEXNVBULNKJ-BFJAYTPKSA-N 2 0 294.464 2.509 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422791716 237216267 /nfs/dbraw/zinc/21/62/67/237216267.db2.gz QOVVQSOSEFPJRK-UXLLHSPISA-N 2 0 276.424 2.740 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792607 237216643 /nfs/dbraw/zinc/21/66/43/237216643.db2.gz XIDXUNOETIYLOK-RKDXNWHRSA-N 2 0 291.226 2.516 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000422815568 237243654 /nfs/dbraw/zinc/24/36/54/237243654.db2.gz XXQJKPWNKHKQQJ-ZIAGYGMSSA-N 2 0 272.392 2.934 20 0 CFADRP C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253183525 540578599 /nfs/dbraw/zinc/57/85/99/540578599.db2.gz GQUOAKWWBWJOJH-CHWSQXEVSA-N 2 0 282.428 2.835 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422828978 237254358 /nfs/dbraw/zinc/25/43/58/237254358.db2.gz UGDPMDQVEDHBQE-AEFFLSMTSA-N 2 0 298.434 2.522 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422806828 237229886 /nfs/dbraw/zinc/22/98/86/237229886.db2.gz NWGUKJYKGJKDAE-DLBZAZTESA-N 2 0 287.451 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422810758 237236585 /nfs/dbraw/zinc/23/65/85/237236585.db2.gz SJYDCUJRMYKSIT-FUHWJXTLSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422809867 237238211 /nfs/dbraw/zinc/23/82/11/237238211.db2.gz SNGCPHAQEWBQDS-XQQFMLRXSA-N 2 0 289.423 2.812 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422814940 237240551 /nfs/dbraw/zinc/24/05/51/237240551.db2.gz WMWSMEWQXNVWHD-YESZJQIVSA-N 2 0 294.483 2.830 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422849414 237274220 /nfs/dbraw/zinc/27/42/20/237274220.db2.gz BXOHKIMWJUJHMS-HZPDHXFCSA-N 2 0 264.388 2.926 20 0 CFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)n1 ZINC000422861147 237281520 /nfs/dbraw/zinc/28/15/20/237281520.db2.gz MHPNRDBTFGTAJK-QZTJIDSGSA-N 2 0 298.434 2.501 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422864763 237284753 /nfs/dbraw/zinc/28/47/53/237284753.db2.gz VYDAHHUKYWQRKK-GOEBONIOSA-N 2 0 260.425 2.990 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953738 540596422 /nfs/dbraw/zinc/59/64/22/540596422.db2.gz GOJXXAFZBPWTNQ-ZBFHGGJFSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953784 540596654 /nfs/dbraw/zinc/59/66/54/540596654.db2.gz HWZSQTBQJJYIOX-QWRGUYRKSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953856 540596780 /nfs/dbraw/zinc/59/67/80/540596780.db2.gz JNRFCPCUBUIZCI-BBRMVZONSA-N 2 0 276.399 2.879 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000422871041 237291452 /nfs/dbraw/zinc/29/14/52/237291452.db2.gz ZPHIPVAFQWZGMO-SNVBAGLBSA-N 2 0 261.394 2.761 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422875148 237295753 /nfs/dbraw/zinc/29/57/53/237295753.db2.gz OKQXBROQJDLDBC-MNOVXSKESA-N 2 0 272.339 2.812 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])co2)cc1 ZINC000422875692 237295895 /nfs/dbraw/zinc/29/58/95/237295895.db2.gz CUXXDTXMUADYLE-KBPBESRZSA-N 2 0 287.407 2.908 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422839299 237265053 /nfs/dbraw/zinc/26/50/53/237265053.db2.gz ZSSRGBHVOWRYDI-CJNGLKHVSA-N 2 0 280.387 2.702 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)c[nH]c2c1 ZINC000422842396 237268664 /nfs/dbraw/zinc/26/86/64/237268664.db2.gz FTGHNNDIMKYPFY-PBHICJAKSA-N 2 0 285.435 2.997 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422848545 237270729 /nfs/dbraw/zinc/27/07/29/237270729.db2.gz KDQMONSEVRGSQN-KKOKHZNYSA-N 2 0 264.335 2.825 20 0 CFADRP Cn1cc(-c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)s2)cn1 ZINC000666853899 540587349 /nfs/dbraw/zinc/58/73/49/540587349.db2.gz IWHSDAUMYFZLLN-STQMWFEESA-N 2 0 290.436 2.508 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000666857843 540587921 /nfs/dbraw/zinc/58/79/21/540587921.db2.gz LMYAOMDFCDIDLX-RKTXRCNFSA-N 2 0 258.409 2.910 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000666856512 540588037 /nfs/dbraw/zinc/58/80/37/540588037.db2.gz MONYVNWHLDDSMM-VXYRWZGASA-N 2 0 266.335 2.710 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856515 540588070 /nfs/dbraw/zinc/58/80/70/540588070.db2.gz MPGJBHMYRRPNRH-AWEZNQCLSA-N 2 0 252.789 2.880 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccccc1F ZINC000422849308 237273979 /nfs/dbraw/zinc/27/39/79/237273979.db2.gz LLCNYHGTDDLQKN-RYUDHWBXSA-N 2 0 252.377 2.819 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000422880727 237303139 /nfs/dbraw/zinc/30/31/39/237303139.db2.gz MNJLAAGJSWRRNS-HOTGVXAUSA-N 3 0 269.477 2.606 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c2ccccc21 ZINC000422882809 237303183 /nfs/dbraw/zinc/30/31/83/237303183.db2.gz BAKPBPCCNSQREU-OVYGPGRDSA-N 2 0 272.392 2.678 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCC2)o1 ZINC000422884163 237306793 /nfs/dbraw/zinc/30/67/93/237306793.db2.gz WJGSGCWHSMJDPJ-ZBFHGGJFSA-N 2 0 293.455 2.832 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)sc1C ZINC000422888002 237307920 /nfs/dbraw/zinc/30/79/20/237307920.db2.gz BVOKFEVASJXOKX-RBSFLKMASA-N 2 0 293.480 2.813 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422898489 237320357 /nfs/dbraw/zinc/32/03/57/237320357.db2.gz MEZGWZWTKPVIGQ-PMRDEQMMSA-N 2 0 288.435 2.943 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422899773 237322057 /nfs/dbraw/zinc/32/20/57/237322057.db2.gz PDWRCYKOPKENDU-HNNXBMFYSA-N 2 0 264.413 2.871 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422909433 237330421 /nfs/dbraw/zinc/33/04/21/237330421.db2.gz OAFAHZCIWZOELB-BBRMVZONSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927377 237359364 /nfs/dbraw/zinc/35/93/64/237359364.db2.gz GJNXPOFHFBWYJT-QWRGUYRKSA-N 2 0 290.329 2.843 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422946390 237374820 /nfs/dbraw/zinc/37/48/20/237374820.db2.gz WQQKZRXIJQNCSK-AGIUHOORSA-N 2 0 280.412 2.870 20 0 CFADRP CC1(C)C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000158864463 540633200 /nfs/dbraw/zinc/63/32/00/540633200.db2.gz RFXHVSBJCBHZHJ-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422935148 237364374 /nfs/dbraw/zinc/36/43/74/237364374.db2.gz DAKLFHRPDNYYGM-UONOGXRCSA-N 2 0 295.814 2.528 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422939267 237367019 /nfs/dbraw/zinc/36/70/19/237367019.db2.gz LSJCXLUHBALSNM-DZGCQCFKSA-N 2 0 292.423 2.887 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422939848 237370021 /nfs/dbraw/zinc/37/00/21/237370021.db2.gz GCINYLRJYFXUTI-VBNZEHGJSA-N 2 0 296.842 2.615 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(OCC(F)F)c2)CC1 ZINC000422941078 237371501 /nfs/dbraw/zinc/37/15/01/237371501.db2.gz HNQROPZNMHTAGP-UHFFFAOYSA-N 2 0 298.377 2.938 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422940074 237371554 /nfs/dbraw/zinc/37/15/54/237371554.db2.gz INUBMRFMWPOFLA-CVEARBPZSA-N 2 0 276.424 2.789 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])o2)cs1 ZINC000422942529 237371696 /nfs/dbraw/zinc/37/16/96/237371696.db2.gz KPIAXZXNGWTILX-VHSXEESVSA-N 2 0 279.409 2.927 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422943518 237373053 /nfs/dbraw/zinc/37/30/53/237373053.db2.gz KOTIVMMZIDMWMK-JSGCOSHPSA-N 2 0 284.350 2.548 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943542 237373223 /nfs/dbraw/zinc/37/32/23/237373223.db2.gz KRHIJYPZXJEEGZ-NWDGAFQWSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422943391 237373268 /nfs/dbraw/zinc/37/32/68/237373268.db2.gz KFUROFSOGSSNSU-FZMZJTMJSA-N 2 0 284.350 2.766 20 0 CFADRP COCC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000679368385 540625897 /nfs/dbraw/zinc/62/58/97/540625897.db2.gz JAJICNMXUBVOLJ-ZBFHGGJFSA-N 2 0 294.439 2.986 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422943661 237373842 /nfs/dbraw/zinc/37/38/42/237373842.db2.gz QXFCMSKDDZJLSI-NUEKZKHPSA-N 2 0 292.398 2.845 20 0 CFADRP Cc1cccc(NCC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000422919348 237348999 /nfs/dbraw/zinc/34/89/99/237348999.db2.gz JQCGGSGOTUPIAV-HOTGVXAUSA-N 2 0 290.455 2.702 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422967128 237398420 /nfs/dbraw/zinc/39/84/20/237398420.db2.gz BEMWZNPIAPTVLG-CHWSQXEVSA-N 2 0 277.412 2.618 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422945740 237374905 /nfs/dbraw/zinc/37/49/05/237374905.db2.gz NOTCSWQOFIKPCX-VXGBXAGGSA-N 2 0 291.370 2.739 20 0 CFADRP C[C@@H]([NH2+]CCc1cccc(Cl)c1Cl)C1C[NH2+]C1 ZINC000422949867 237376275 /nfs/dbraw/zinc/37/62/75/237376275.db2.gz UUNHRKDRQUXHCC-SECBINFHSA-N 2 0 273.207 2.733 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOC1CCCCC1 ZINC000422948539 237376682 /nfs/dbraw/zinc/37/66/82/237376682.db2.gz SFVGRSZELBWONB-ZDUSSCGKSA-N 2 0 291.439 2.849 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422948218 237377342 /nfs/dbraw/zinc/37/73/42/237377342.db2.gz QXXKIVPEOKMPST-LSDHHAIUSA-N 2 0 262.397 2.623 20 0 CFADRP Cc1cnc(CC[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000401058107 540643128 /nfs/dbraw/zinc/64/31/28/540643128.db2.gz DLPWGEHJJXUCOB-UHFFFAOYSA-N 2 0 275.440 2.703 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422949320 237379122 /nfs/dbraw/zinc/37/91/22/237379122.db2.gz UZHOWQLPZKHZHA-DZGCQCFKSA-N 2 0 266.816 2.990 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000422947290 237379178 /nfs/dbraw/zinc/37/91/78/237379178.db2.gz YCYOCQCQYJQZEC-STQMWFEESA-N 2 0 280.412 2.872 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422954640 237385938 /nfs/dbraw/zinc/38/59/38/237385938.db2.gz JMGHWJUXGQYAIP-BXUZGUMPSA-N 2 0 270.779 2.739 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422957415 237386048 /nfs/dbraw/zinc/38/60/48/237386048.db2.gz TZUQJWKHIBNYEZ-HZPDHXFCSA-N 2 0 299.418 2.721 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422959583 237391452 /nfs/dbraw/zinc/39/14/52/237391452.db2.gz STRSBRIVXOYDPG-CPUCHLNUSA-N 2 0 258.409 2.960 20 0 CFADRP C[N@H+](CCSc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000036301051 540650656 /nfs/dbraw/zinc/65/06/56/540650656.db2.gz XYHVMUOXQQRCEG-UHFFFAOYSA-N 2 0 268.401 2.602 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000297505299 200213155 /nfs/dbraw/zinc/21/31/55/200213155.db2.gz LUIWKCLHXFJOLC-HZPDHXFCSA-N 2 0 285.391 2.772 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226346308 296001582 /nfs/dbraw/zinc/00/15/82/296001582.db2.gz JTZIHKHROGJIJC-JKSUJKDBSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CC1 ZINC000093521194 296001808 /nfs/dbraw/zinc/00/18/08/296001808.db2.gz PWULFUVQNGELIK-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP COC1(C[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)CCC1 ZINC000297552087 200226462 /nfs/dbraw/zinc/22/64/62/200226462.db2.gz PUDPNPCAMQQWSX-ZDUSSCGKSA-N 2 0 273.380 2.772 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCC34CCOCC4)ccc12 ZINC000297670556 200257443 /nfs/dbraw/zinc/25/74/43/200257443.db2.gz ZTMTYKSDSHFLEB-MRXNPFEDSA-N 2 0 285.391 2.773 20 0 CFADRP C[C@H]1CCC[N@H+](CCOCc2ccccc2)[C@@H]1CC[NH3+] ZINC000404298890 540677394 /nfs/dbraw/zinc/67/73/94/540677394.db2.gz FFSFPHNHDUOKFX-DOTOQJQBSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000423318955 299302351 /nfs/dbraw/zinc/30/23/51/299302351.db2.gz LFUCBCVZNLUGBB-WQIUYUTLSA-N 2 0 262.441 2.918 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C12CCCCC2 ZINC000435879498 240362863 /nfs/dbraw/zinc/36/28/63/240362863.db2.gz KNXNLPPVRJUWDZ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(CC[NH+]1CCC(OCCC[NH3+])CC1)C1CC1 ZINC000405999162 540693348 /nfs/dbraw/zinc/69/33/48/540693348.db2.gz OTOOIUYDCMUAOJ-UHFFFAOYSA-N 2 0 268.445 2.643 20 0 CFADRP c1ccc(COCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000381891952 540700882 /nfs/dbraw/zinc/70/08/82/540700882.db2.gz RZTUCULYJXEVAP-SFHVURJKSA-N 2 0 288.435 2.667 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC(C)(C)CC1 ZINC000382443744 540703966 /nfs/dbraw/zinc/70/39/66/540703966.db2.gz RBCQPHKMELRGDW-OAHLLOKOSA-N 2 0 270.461 2.588 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000219315610 540731247 /nfs/dbraw/zinc/73/12/47/540731247.db2.gz XIGKYGCMRCBXKM-ROUUACIJSA-N 2 0 290.451 2.881 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000521858938 540734262 /nfs/dbraw/zinc/73/42/62/540734262.db2.gz CSOYBFDMNUNZAO-DJIMGWMZSA-N 2 0 290.455 2.530 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000435871809 240363372 /nfs/dbraw/zinc/36/33/72/240363372.db2.gz VCZUUEXMFDZRFA-UHFFFAOYSA-N 2 0 287.407 2.816 20 0 CFADRP C[C@@H]([NH2+]CCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000211093152 540757746 /nfs/dbraw/zinc/75/77/46/540757746.db2.gz PESQPEGGNKZUAZ-SNVBAGLBSA-N 2 0 252.324 2.649 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)[C@H](C)C1 ZINC000178473375 189119454 /nfs/dbraw/zinc/11/94/54/189119454.db2.gz CNWQMUGFBLXPCE-CJNGLKHVSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000163466255 540791598 /nfs/dbraw/zinc/79/15/98/540791598.db2.gz UNBDGTDPSDJCJR-CJNGLKHVSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000163466370 540791925 /nfs/dbraw/zinc/79/19/25/540791925.db2.gz UNBDGTDPSDJCJR-BBRMVZONSA-N 2 0 258.409 2.981 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000054243268 540781742 /nfs/dbraw/zinc/78/17/42/540781742.db2.gz FGEAQAISWJCSGB-HNNXBMFYSA-N 2 0 260.425 2.896 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000332342955 283574468 /nfs/dbraw/zinc/57/44/68/283574468.db2.gz XMIRRZKAVUUFFU-IOASZLSFSA-N 2 0 260.381 2.629 20 0 CFADRP [NH3+]CCC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000414768401 540829069 /nfs/dbraw/zinc/82/90/69/540829069.db2.gz UZJXRTPZTGAFJU-UHFFFAOYSA-N 2 0 270.779 2.949 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1OC(C)C ZINC000414906959 540829777 /nfs/dbraw/zinc/82/97/77/540829777.db2.gz ACIMQXJYAKFOPM-GJZGRUSLSA-N 2 0 292.423 2.842 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000423094070 238198061 /nfs/dbraw/zinc/19/80/61/238198061.db2.gz JFRTYFBUUQTTLJ-MUGRSDNVSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423093545 238198862 /nfs/dbraw/zinc/19/88/62/238198862.db2.gz HYAJIBYLEXIFQI-WHOFXGATSA-N 2 0 250.361 2.789 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000423099878 238199309 /nfs/dbraw/zinc/19/93/09/238199309.db2.gz UMUKPTASJQXWEA-MBNYWOFBSA-N 2 0 261.413 2.936 20 0 CFADRP c1cncc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179169204 189174482 /nfs/dbraw/zinc/17/44/82/189174482.db2.gz PMKCFRLELARKLE-AEFFLSMTSA-N 2 0 285.435 2.573 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000414912200 540830527 /nfs/dbraw/zinc/83/05/27/540830527.db2.gz HMTGIUBJUSHWDX-AEGPPILISA-N 2 0 292.423 2.581 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414908960 540830671 /nfs/dbraw/zinc/83/06/71/540830671.db2.gz BQONNPDJNMZNBF-GJZGRUSLSA-N 2 0 288.370 2.575 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OC ZINC000414925771 540830869 /nfs/dbraw/zinc/83/08/69/540830869.db2.gz MBSAPYDYUMULSZ-RYUDHWBXSA-N 2 0 298.814 2.717 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423127545 238217071 /nfs/dbraw/zinc/21/70/71/238217071.db2.gz CBUDDWVDSSVJSA-YNEHKIRRSA-N 2 0 290.386 2.788 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000414924370 540831077 /nfs/dbraw/zinc/83/10/77/540831077.db2.gz KAJDIHPMWFBELP-WDEREUQCSA-N 2 0 256.752 2.839 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000414928012 540831205 /nfs/dbraw/zinc/83/12/05/540831205.db2.gz PTRHNEGRWQQOFF-HUUCEWRRSA-N 2 0 292.423 2.844 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414933516 540831788 /nfs/dbraw/zinc/83/17/88/540831788.db2.gz WYFLPMBZHBMURR-VXGBXAGGSA-N 2 0 288.420 2.565 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414933567 540831838 /nfs/dbraw/zinc/83/18/38/540831838.db2.gz XASGINKEVJPULG-ILXRZTDVSA-N 2 0 264.800 2.667 20 0 CFADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423103790 238202539 /nfs/dbraw/zinc/20/25/39/238202539.db2.gz GPLJGZIGWVEHMX-SJHCENCUSA-N 2 0 258.356 2.540 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423276401 283587164 /nfs/dbraw/zinc/58/71/64/283587164.db2.gz OJVBFZNKNLELGV-RWSFTLGLSA-N 2 0 250.361 2.504 20 0 CFADRP [NH3+]CCC[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000415088959 540833831 /nfs/dbraw/zinc/83/38/31/540833831.db2.gz YHPRXWVKYNQLKN-UHFFFAOYSA-N 2 0 277.195 2.701 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110085 238205887 /nfs/dbraw/zinc/20/58/87/238205887.db2.gz UKMUNDIFLPXAMG-XJKSGUPXSA-N 2 0 291.414 2.643 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110084 238206600 /nfs/dbraw/zinc/20/66/00/238206600.db2.gz UKMUNDIFLPXAMG-CZUORRHYSA-N 2 0 291.414 2.643 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)CCC[NH3+])C2)cc1F ZINC000423118245 238211752 /nfs/dbraw/zinc/21/17/52/238211752.db2.gz ZPAWSSHLZVSINE-UBHSHLNASA-N 2 0 280.387 2.797 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423140709 238226309 /nfs/dbraw/zinc/22/63/09/238226309.db2.gz ZGHFYWQUBBTTAU-IKGGRYGDSA-N 2 0 276.424 2.524 20 0 CFADRP CC[N@H+](CCn1ccnc1)[C@H](C)c1cccc(OC)c1 ZINC000179192818 189176322 /nfs/dbraw/zinc/17/63/22/189176322.db2.gz ISWDDHQBJQMVEN-CQSZACIVSA-N 2 0 273.380 2.975 20 0 CFADRP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000670263701 540844558 /nfs/dbraw/zinc/84/45/58/540844558.db2.gz NWMLPHPAUUTKBJ-DLBZAZTESA-N 2 0 295.515 2.771 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000423144072 238231990 /nfs/dbraw/zinc/23/19/90/238231990.db2.gz YISKIMXPKZGLDG-ZIAGYGMSSA-N 2 0 252.789 2.660 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000423133444 238222353 /nfs/dbraw/zinc/22/23/53/238222353.db2.gz KMKJRLVXNFRMJO-QSPRXWTASA-N 2 0 258.409 2.768 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423132360 238223222 /nfs/dbraw/zinc/22/32/22/238223222.db2.gz ULWOEDJGMBJOSI-CYBMUJFWSA-N 2 0 293.455 2.952 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423137066 238224695 /nfs/dbraw/zinc/22/46/95/238224695.db2.gz HMMIYRNJPYSBJV-HUUCEWRRSA-N 2 0 275.440 2.775 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCCCC1 ZINC000423137548 238225229 /nfs/dbraw/zinc/22/52/29/238225229.db2.gz HZXYWDCPGUKABC-LSDHHAIUSA-N 2 0 268.445 2.690 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCCCC1 ZINC000423174999 238254048 /nfs/dbraw/zinc/25/40/48/238254048.db2.gz CNXXPOWEAKOLGI-ZNMIVQPWSA-N 2 0 278.440 2.585 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000423176272 238256391 /nfs/dbraw/zinc/25/63/91/238256391.db2.gz GAHOMWRBMLTMAE-YYFQZIEXSA-N 2 0 268.445 2.543 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423163558 238246555 /nfs/dbraw/zinc/24/65/55/238246555.db2.gz MSVPDSNWOMQGIQ-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP COC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423166515 238247971 /nfs/dbraw/zinc/24/79/71/238247971.db2.gz CXCDMNKJAJNOQK-SWHNLWLKSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423196350 238270637 /nfs/dbraw/zinc/27/06/37/238270637.db2.gz ZQWBYMAKDXBJNT-FZMZJTMJSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423211646 238280704 /nfs/dbraw/zinc/28/07/04/238280704.db2.gz LATKWVHFNCWRBL-NWDGAFQWSA-N 2 0 264.438 2.887 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166266852 540883601 /nfs/dbraw/zinc/88/36/01/540883601.db2.gz DVSCPMYEGJIQEM-YESZJQIVSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166276557 540883653 /nfs/dbraw/zinc/88/36/53/540883653.db2.gz MPXKRCXRAPOHDO-BRWVUGGUSA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OC ZINC000423227162 238290576 /nfs/dbraw/zinc/29/05/76/238290576.db2.gz URFDUAMRSVSJQQ-YNEHKIRRSA-N 2 0 280.412 2.523 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000306774369 540886384 /nfs/dbraw/zinc/88/63/84/540886384.db2.gz VPFHJLJNSIJFDV-ZACQAIPSSA-N 2 0 274.408 2.547 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1OC(F)F ZINC000423227506 238292106 /nfs/dbraw/zinc/29/21/06/238292106.db2.gz WAYVMVQAPXOTQR-DTWKUNHWSA-N 2 0 276.302 2.815 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423233883 238296021 /nfs/dbraw/zinc/29/60/21/238296021.db2.gz KQSFNJCPFHUTOK-UMVBOHGHSA-N 2 0 262.397 2.529 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)[C@H]1CCC[NH2+]C1 ZINC000423212627 238281489 /nfs/dbraw/zinc/28/14/89/238281489.db2.gz ISOICDCBMWHGCC-JDFRZJQESA-N 2 0 274.408 2.747 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423238738 238300462 /nfs/dbraw/zinc/30/04/62/238300462.db2.gz AUGNGGIYVAXSLZ-WBMJQRKESA-N 2 0 262.372 2.866 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423240254 238300542 /nfs/dbraw/zinc/30/05/42/238300542.db2.gz BYRSROXYSRBLFG-BBRMVZONSA-N 2 0 276.449 2.606 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249551 238308020 /nfs/dbraw/zinc/30/80/20/238308020.db2.gz OTNSQWLRIWNPDT-GUYCJALGSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423256992 238311968 /nfs/dbraw/zinc/31/19/68/238311968.db2.gz GZJQNLFSQHMMEE-CVEARBPZSA-N 2 0 298.434 2.913 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423255805 238313262 /nfs/dbraw/zinc/31/32/62/238313262.db2.gz CUMQINXUVGQTJB-KGLIPLIRSA-N 2 0 292.423 2.744 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1C ZINC000423262503 238316798 /nfs/dbraw/zinc/31/67/98/238316798.db2.gz VNOOWBWHEAWZBK-IUODEOHRSA-N 2 0 278.444 2.560 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423266959 238321790 /nfs/dbraw/zinc/32/17/90/238321790.db2.gz DMKOMVPTHAWSFZ-VXGBXAGGSA-N 2 0 297.830 2.784 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423272994 238330024 /nfs/dbraw/zinc/33/00/24/238330024.db2.gz KBZXZHCSFBWXMK-IOASZLSFSA-N 2 0 264.413 2.760 20 0 CFADRP CCC(CC)[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C(C)C ZINC000388776720 540926212 /nfs/dbraw/zinc/92/62/12/540926212.db2.gz PUBXXJPLVQXSGD-MRXNPFEDSA-N 2 0 272.477 2.834 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH3+])C1 ZINC000423310280 238365440 /nfs/dbraw/zinc/36/54/40/238365440.db2.gz RRMULSCDCFHCTQ-YUELXQCFSA-N 2 0 261.413 2.601 20 0 CFADRP C[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180146699 189239411 /nfs/dbraw/zinc/23/94/11/189239411.db2.gz NBDPDLNSHYRPMF-CCNLRDMRSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH3+] ZINC000423286887 238346684 /nfs/dbraw/zinc/34/66/84/238346684.db2.gz JFYQKECEXLVVFA-SNVBAGLBSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000423292169 238350779 /nfs/dbraw/zinc/35/07/79/238350779.db2.gz LTWGDBWQCYWWMJ-DOXZYTNZSA-N 2 0 297.446 2.754 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])oc21 ZINC000423298000 238356788 /nfs/dbraw/zinc/35/67/88/238356788.db2.gz MRVLIKWQFPDZNB-GHMZBOCLSA-N 2 0 262.353 2.687 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423305206 238362571 /nfs/dbraw/zinc/36/25/71/238362571.db2.gz KLIVRYLQXFSEOA-BMFZPTHFSA-N 2 0 276.424 2.555 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000423324822 238378443 /nfs/dbraw/zinc/37/84/43/238378443.db2.gz JASBCMKGOJVQAC-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000158437337 540973243 /nfs/dbraw/zinc/97/32/43/540973243.db2.gz QEKLBBFXNKWMSY-GOEBONIOSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCC[NH2+]C1 ZINC000423334390 238385143 /nfs/dbraw/zinc/38/51/43/238385143.db2.gz IIMIPRAGNRMEIX-DOTOQJQBSA-N 2 0 274.408 2.749 20 0 CFADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423336310 238388363 /nfs/dbraw/zinc/38/83/63/238388363.db2.gz GQXCAOGKEILPLW-QZTJIDSGSA-N 2 0 270.420 2.907 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCCC[NH3+])cnn1-c1ccc(F)cc1 ZINC000423317287 238368691 /nfs/dbraw/zinc/36/86/91/238368691.db2.gz APHBFTASOKDFOD-LBPRGKRZSA-N 2 0 290.386 2.709 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000159072919 540984093 /nfs/dbraw/zinc/98/40/93/540984093.db2.gz XGNFPUNCTMPYEF-MRXNPFEDSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000423317468 238369865 /nfs/dbraw/zinc/36/98/65/238369865.db2.gz BMQLXOTXISYEFI-IRXDYDNUSA-N 2 0 258.409 2.962 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCC[NH3+])cc1OC ZINC000423316555 238370162 /nfs/dbraw/zinc/37/01/62/238370162.db2.gz BUMUEITYWFDIEP-STQMWFEESA-N 2 0 280.412 2.524 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000157956665 540964841 /nfs/dbraw/zinc/96/48/41/540964841.db2.gz SGNUZWWXEHMDDR-SJORKVTESA-N 3 0 295.515 2.818 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423349038 238398135 /nfs/dbraw/zinc/39/81/35/238398135.db2.gz VRXDRQXSGPQGJC-RRQGHBQHSA-N 2 0 256.393 2.688 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000423349803 238398767 /nfs/dbraw/zinc/39/87/67/238398767.db2.gz XNIINYZNXXCPKV-NSHDSACASA-N 2 0 262.422 2.807 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423356153 238404850 /nfs/dbraw/zinc/40/48/50/238404850.db2.gz JESKDZOGMPELNA-ORQFMDKSSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCC[NH2+]C1 ZINC000423342586 238393662 /nfs/dbraw/zinc/39/36/62/238393662.db2.gz NHJUGCJCDYYURG-NXOAAHMSSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423347354 238396229 /nfs/dbraw/zinc/39/62/29/238396229.db2.gz QFOSVEBAPCRYJL-NSHDSACASA-N 2 0 282.334 2.858 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccs1 ZINC000423445347 238463048 /nfs/dbraw/zinc/46/30/48/238463048.db2.gz RURVOZMCDWGBEY-KGYLQXTDSA-N 2 0 250.411 2.787 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1F ZINC000423514553 238508511 /nfs/dbraw/zinc/50/85/11/238508511.db2.gz SJRHYCHQRXCSMQ-LOWVWBTDSA-N 2 0 266.360 2.612 20 0 CFADRP CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183126181 189347604 /nfs/dbraw/zinc/34/76/04/189347604.db2.gz BWRYFHBNAXRZGM-ULQDDVLXSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccncc1 ZINC000671750115 541075185 /nfs/dbraw/zinc/07/51/85/541075185.db2.gz VOMXDTNCYRUSSV-XBVQOTNRSA-N 2 0 273.424 2.648 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC[NH2+]1 ZINC000666689017 541132395 /nfs/dbraw/zinc/13/23/95/541132395.db2.gz KFGGEXVOYTZYDY-CKEIUWERSA-N 2 0 274.408 2.917 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000666770073 541142280 /nfs/dbraw/zinc/14/22/80/541142280.db2.gz KGAWVXCYQHZVHZ-NXHRZFHOSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666826157 541148295 /nfs/dbraw/zinc/14/82/95/541148295.db2.gz OUIWPXBNWJULIO-SNVBAGLBSA-N 2 0 263.772 2.573 20 0 CFADRP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC[NH2+]C1 ZINC000666844163 541150659 /nfs/dbraw/zinc/15/06/59/541150659.db2.gz XZYHCHSKRKLYHJ-HNNXBMFYSA-N 2 0 290.436 2.618 20 0 CFADRP c1nc(C2CCC2)sc1CN[C@H]1CCC[NH2+]CC1 ZINC000666855191 541151747 /nfs/dbraw/zinc/15/17/47/541151747.db2.gz DEKSNPLRZFCQRZ-LBPRGKRZSA-N 2 0 265.426 2.642 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc2cccnc12 ZINC000666856382 541152625 /nfs/dbraw/zinc/15/26/25/541152625.db2.gz GCWFKIRWLXNXQT-INIZCTEOSA-N 2 0 269.392 2.775 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000666856508 541152982 /nfs/dbraw/zinc/15/29/82/541152982.db2.gz MMMMUUGKLPXDND-CQSZACIVSA-N 2 0 258.365 2.973 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858034 541153578 /nfs/dbraw/zinc/15/35/78/541153578.db2.gz UILHMBKVYCPLQZ-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000666857997 541153749 /nfs/dbraw/zinc/15/37/49/541153749.db2.gz SLGVFHMUWMNDJB-HUUCEWRRSA-N 2 0 264.800 2.539 20 0 CFADRP c1c2ccccc2oc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950824 541165488 /nfs/dbraw/zinc/16/54/88/541165488.db2.gz KTLCJVUEWTUBJC-OAHLLOKOSA-N 2 0 256.349 2.665 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666952072 541165820 /nfs/dbraw/zinc/16/58/20/541165820.db2.gz FFJSUVXAEZZFTL-KBPBESRZSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000666953577 541166338 /nfs/dbraw/zinc/16/63/38/541166338.db2.gz BLAMSZLHCZAKLQ-RKTXRCNFSA-N 2 0 270.420 2.910 20 0 CFADRP c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995712 541171498 /nfs/dbraw/zinc/17/14/98/541171498.db2.gz XOPAECKHOYFCOY-KRWDZBQOSA-N 2 0 299.462 2.920 20 0 CFADRP c1cn(-c2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2)cn1 ZINC000666999530 541172736 /nfs/dbraw/zinc/17/27/36/541172736.db2.gz SCAMNXCSSUUFLS-INIZCTEOSA-N 2 0 296.418 2.637 20 0 CFADRP c1cnc2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2c1 ZINC000666999434 541172754 /nfs/dbraw/zinc/17/27/54/541172754.db2.gz IAYLQIZEFZZMEU-INIZCTEOSA-N 2 0 281.403 2.999 20 0 CFADRP c1cn(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2)cn1 ZINC000666999531 541172766 /nfs/dbraw/zinc/17/27/66/541172766.db2.gz SCAMNXCSSUUFLS-MRXNPFEDSA-N 2 0 296.418 2.637 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2nccc3ccccc32)C[C@@H]1C[NH3+] ZINC000667039173 541178000 /nfs/dbraw/zinc/17/80/00/541178000.db2.gz KECUNKRJLXWAFR-HIFRSBDPSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1CC[N@H+](Cc2nccc3ccccc32)C[C@H]1C[NH3+] ZINC000667039172 541178054 /nfs/dbraw/zinc/17/80/54/541178054.db2.gz KECUNKRJLXWAFR-DZGCQCFKSA-N 2 0 269.392 2.652 20 0 CFADRP CCN(C(=O)Nc1c(C)ccnc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000667062456 541180934 /nfs/dbraw/zinc/18/09/34/541180934.db2.gz FKASGXHBAMJXNA-CQSZACIVSA-N 2 0 290.411 2.646 20 0 CFADRP C[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C[NH+](C)C ZINC000425923210 239136157 /nfs/dbraw/zinc/13/61/57/239136157.db2.gz NTFCONMERWQLBN-JFIYKMOQSA-N 2 0 290.451 2.942 20 0 CFADRP Cc1ncc(CN(Cc2ccccc2)C[C@H]2CCCO2)n1C ZINC000667549694 541253769 /nfs/dbraw/zinc/25/37/69/541253769.db2.gz TYLIKJYOVFOGKX-GOSISDBHSA-N 2 0 299.418 2.910 20 0 CFADRP CCCC[N@H+](CCOC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667618889 541270024 /nfs/dbraw/zinc/27/00/24/541270024.db2.gz MDBROSDEWQFQNG-UHFFFAOYSA-N 2 0 288.395 2.516 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](Cc2cnc3n2CCC3)C1 ZINC000667662788 541282400 /nfs/dbraw/zinc/28/24/00/541282400.db2.gz VGXZNNCUVMLJGB-AWEZNQCLSA-N 2 0 297.402 2.827 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667759043 541306533 /nfs/dbraw/zinc/30/65/33/541306533.db2.gz XKKLGIIMQTVYOS-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000320785097 541310383 /nfs/dbraw/zinc/31/03/83/541310383.db2.gz YFIGPCXOZZKEFJ-YJBOKZPZSA-N 2 0 299.393 2.935 20 0 CFADRP C(CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1)CC[NH+]1CCCCC1 ZINC000667838644 541326104 /nfs/dbraw/zinc/32/61/04/541326104.db2.gz ZHZAKVURGVNRGJ-DLBZAZTESA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000222927612 541326890 /nfs/dbraw/zinc/32/68/90/541326890.db2.gz NLZSICCTRBFNQI-WCQGTBRESA-N 2 0 254.324 2.885 20 0 CFADRP COC(=O)C1CCC([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414817656 283753012 /nfs/dbraw/zinc/75/30/12/283753012.db2.gz SOYRVTUYCFZNMG-UWTIGNOOSA-N 2 0 290.407 2.528 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667928142 541344962 /nfs/dbraw/zinc/34/49/62/541344962.db2.gz QEHLXIJIZUIZKO-IMJJTQAJSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000494814244 291309511 /nfs/dbraw/zinc/30/95/11/291309511.db2.gz ZSJWODNFYIGGGI-AALSBFMBSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1ncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)n1C ZINC000668092145 541380448 /nfs/dbraw/zinc/38/04/48/541380448.db2.gz YQIBREKZWLLWOQ-KWQFWETISA-N 2 0 261.291 2.501 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)C2CC[NH2+]CC2)cc1F ZINC000435386371 240310173 /nfs/dbraw/zinc/31/01/73/240310173.db2.gz WNIBZSVMSCQWAQ-ZDUSSCGKSA-N 2 0 294.414 2.697 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000435744731 240346252 /nfs/dbraw/zinc/34/62/52/240346252.db2.gz HFIJAYPVOPDQAT-RYQLBKOJSA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435448332 240314706 /nfs/dbraw/zinc/31/47/06/240314706.db2.gz UXDKEKGKQBSRJK-IQIBNGDESA-N 2 0 274.408 2.782 20 0 CFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000442871028 241009851 /nfs/dbraw/zinc/00/98/51/241009851.db2.gz FDMYPEKPZGBEBZ-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000443054888 241032147 /nfs/dbraw/zinc/03/21/47/241032147.db2.gz ATIIGAHFPRIHCY-LBPRGKRZSA-N 2 0 291.420 2.964 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC2CCC2)C[C@H]1C ZINC000445433238 241216256 /nfs/dbraw/zinc/21/62/56/241216256.db2.gz BOJXEOQKLWOKLW-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2ccncc2)C1 ZINC000673713411 541506285 /nfs/dbraw/zinc/50/62/85/541506285.db2.gz CPVZQDUVAZALLX-CABCVRRESA-N 2 0 261.413 2.806 20 0 CFADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1C ZINC000446757352 241323251 /nfs/dbraw/zinc/32/32/51/241323251.db2.gz ASNIFEJDSHJSFO-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)o1 ZINC000447536136 241380643 /nfs/dbraw/zinc/38/06/43/241380643.db2.gz LHCVDEJCSVPADA-CQSZACIVSA-N 2 0 293.455 2.573 20 0 CFADRP Cc1ccn2c(C[NH2+]CC3CC[NH+](C4CC4)CC3)cnc2c1 ZINC000446887720 241336091 /nfs/dbraw/zinc/33/60/91/241336091.db2.gz XRGTUIWPFLQNDP-UHFFFAOYSA-N 2 0 298.434 2.607 20 0 CFADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000446887890 241337190 /nfs/dbraw/zinc/33/71/90/241337190.db2.gz ZRFDCKCGQJARAT-UHFFFAOYSA-N 2 0 280.362 2.929 20 0 CFADRP CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCCCC1 ZINC000447594414 241390344 /nfs/dbraw/zinc/39/03/44/241390344.db2.gz YQYBUMVIPSHZQE-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000674245714 541550063 /nfs/dbraw/zinc/55/00/63/541550063.db2.gz VNTRXSLIQIUTFL-AWEZNQCLSA-N 2 0 289.423 2.561 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674302555 541556957 /nfs/dbraw/zinc/55/69/57/541556957.db2.gz NZUHJLMZKHHFPG-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC1CCOCC1 ZINC000449559653 242029332 /nfs/dbraw/zinc/02/93/32/242029332.db2.gz CJVRKRFCWOEVJR-LNRIEFBSSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CCC[NH2+]C1 ZINC000423328342 291390432 /nfs/dbraw/zinc/39/04/32/291390432.db2.gz DMAKWVZUBPNEAF-KFWWJZLASA-N 2 0 256.409 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(C)(C)C)[C@H](C)C1 ZINC000674909707 541605187 /nfs/dbraw/zinc/60/51/87/541605187.db2.gz RNMSEFSENSFWLD-HUUCEWRRSA-N 2 0 270.461 2.854 20 0 CFADRP CC(C)(C)OCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000674908371 541605735 /nfs/dbraw/zinc/60/57/35/541605735.db2.gz AFCVLCCUHKOLCC-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CCc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000450216869 242310808 /nfs/dbraw/zinc/31/08/08/242310808.db2.gz OJRKMDSQSXQECX-KRWDZBQOSA-N 2 0 269.392 2.781 20 0 CFADRP CCc1cc(NC[C@H](c2ccsc2)[NH+](C)C)cc[nH+]1 ZINC000450246706 242323936 /nfs/dbraw/zinc/32/39/36/242323936.db2.gz LDONLYNCQLPRID-OAHLLOKOSA-N 2 0 275.421 2.842 20 0 CFADRP CCc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC000450356304 242375437 /nfs/dbraw/zinc/37/54/37/242375437.db2.gz GOXGFHUJLPWENE-OAHLLOKOSA-N 2 0 261.413 2.955 20 0 CFADRP COCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267968788 541653181 /nfs/dbraw/zinc/65/31/81/541653181.db2.gz BAGLPZJBWTWBNJ-WMZOPIPTSA-N 2 0 290.451 2.865 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356825911 296121788 /nfs/dbraw/zinc/12/17/88/296121788.db2.gz AYGZEALXRIEVQJ-ZACQAIPSSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]CCOc1ccccc1F)C1CC[NH+](C)CC1 ZINC000675728230 541685320 /nfs/dbraw/zinc/68/53/20/541685320.db2.gz PSFHUAGNQHKZPP-ZDUSSCGKSA-N 2 0 280.387 2.524 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000675727773 541685376 /nfs/dbraw/zinc/68/53/76/541685376.db2.gz YKIJTFIDOCSCQX-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000453079110 243391190 /nfs/dbraw/zinc/39/11/90/243391190.db2.gz CTDBBFBTPXEXQS-CABCVRRESA-N 2 0 263.429 2.723 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675820975 541698557 /nfs/dbraw/zinc/69/85/57/541698557.db2.gz BRVIPDFBWYUZCU-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449224461 296125280 /nfs/dbraw/zinc/12/52/80/296125280.db2.gz LOSQIZZKGMQIJU-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])C1CCC(C(F)(F)F)CC1 ZINC000423299276 296127198 /nfs/dbraw/zinc/12/71/98/296127198.db2.gz BOQAARGNZKLRFK-DMOGRIERSA-N 2 0 266.351 2.928 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000422811718 296145037 /nfs/dbraw/zinc/14/50/37/296145037.db2.gz WJIWBKKKTAQVOI-ZJUUUORDSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000261556351 296149173 /nfs/dbraw/zinc/14/91/73/296149173.db2.gz BXVSJLLTZXZQJS-XGDZWAMMSA-N 2 0 250.430 2.917 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2cnccc2C)C1 ZINC000276466211 193342815 /nfs/dbraw/zinc/34/28/15/193342815.db2.gz OTVZRTZBCORYKO-MRXNPFEDSA-N 2 0 275.440 2.596 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cnn1C(C)C ZINC000276540134 193373996 /nfs/dbraw/zinc/37/39/96/193373996.db2.gz ORUQIVAKOUOZJQ-ZDUSSCGKSA-N 2 0 276.428 2.685 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000331364444 203768627 /nfs/dbraw/zinc/76/86/27/203768627.db2.gz BVZFMHDWGYUKHD-SDDRHHMPSA-N 2 0 279.453 2.800 20 0 CFADRP C[N@H+](CCOCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000459470678 245190925 /nfs/dbraw/zinc/19/09/25/245190925.db2.gz UEAQHAKBWDPVPW-SJPCQFCGSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H](O)CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459489613 245197743 /nfs/dbraw/zinc/19/77/43/245197743.db2.gz WZUATJYBNHSBKD-OAHLLOKOSA-N 2 0 299.418 2.518 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000459732784 245291518 /nfs/dbraw/zinc/29/15/18/245291518.db2.gz MXLZWXNKMBBGIB-HNNXBMFYSA-N 2 0 286.419 2.784 20 0 CFADRP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1OC ZINC000459732016 245291867 /nfs/dbraw/zinc/29/18/67/245291867.db2.gz LUDMQDCYEGCWMX-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Cl)o2)C1 ZINC000459741357 245295818 /nfs/dbraw/zinc/29/58/18/245295818.db2.gz VKVRRNPXJRWJCR-NSHDSACASA-N 2 0 256.777 2.755 20 0 CFADRP COc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459743122 245299081 /nfs/dbraw/zinc/29/90/81/245299081.db2.gz WGFRMZFMEDYDJV-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1nc2c(s1)CCCC2 ZINC000331753286 204126589 /nfs/dbraw/zinc/12/65/89/204126589.db2.gz HJGBLZQCHANUNJ-SRVKXCTJSA-N 2 0 279.453 2.800 20 0 CFADRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C2CCCCC2)n1 ZINC000331926519 204302395 /nfs/dbraw/zinc/30/23/95/204302395.db2.gz QCNQODYJGOAXFW-JKSUJKDBSA-N 2 0 290.455 2.827 20 0 CFADRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C2CCCCC2)n1 ZINC000331926497 204303228 /nfs/dbraw/zinc/30/32/28/204303228.db2.gz QCNQODYJGOAXFW-CVEARBPZSA-N 2 0 290.455 2.827 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OC)cc1 ZINC000019958986 372215915 /nfs/dbraw/zinc/21/59/15/372215915.db2.gz FCZDBNMZGPLOOU-HNNXBMFYSA-N 2 0 250.386 2.688 20 0 CFADRP CC[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000032105907 372427398 /nfs/dbraw/zinc/42/73/98/372427398.db2.gz AKLSYHDGFCBNAI-ZDUSSCGKSA-N 2 0 250.386 2.515 20 0 CFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000034658053 372512558 /nfs/dbraw/zinc/51/25/58/372512558.db2.gz ZJEIGRBTJJBQPC-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000034823192 372514575 /nfs/dbraw/zinc/51/45/75/372514575.db2.gz KTXPBAPESVQNIR-UHFFFAOYSA-N 2 0 281.831 2.591 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036842654 372601215 /nfs/dbraw/zinc/60/12/15/372601215.db2.gz CZSBWBQEDCSXMJ-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037643983 372678439 /nfs/dbraw/zinc/67/84/39/372678439.db2.gz DATQJHHNHDBYCN-CYBMUJFWSA-N 2 0 252.789 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000037644029 372679145 /nfs/dbraw/zinc/67/91/45/372679145.db2.gz QFZQMUVPTPAIAY-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037643733 372679278 /nfs/dbraw/zinc/67/92/78/372679278.db2.gz DMCAQRONOYCSEA-CYBMUJFWSA-N 2 0 297.240 2.881 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000037644354 372682260 /nfs/dbraw/zinc/68/22/60/372682260.db2.gz VFZQARQCNFURBT-CNSOWSRNSA-N 2 0 262.441 2.743 20 0 CFADRP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)s1 ZINC000037645052 372682435 /nfs/dbraw/zinc/68/24/35/372682435.db2.gz KFBYOWWZAIYLKZ-GFCCVEGCSA-N 2 0 252.427 2.742 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649192 372684975 /nfs/dbraw/zinc/68/49/75/372684975.db2.gz VEYPFQIBELDSLL-KGLIPLIRSA-N 2 0 274.408 2.830 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000037649160 372685489 /nfs/dbraw/zinc/68/54/89/372685489.db2.gz WWFIXICTRKBZGZ-CHWSQXEVSA-N 2 0 260.381 2.527 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000037715345 372692639 /nfs/dbraw/zinc/69/26/39/372692639.db2.gz IGAOEUMAGCCNSA-UHFFFAOYSA-N 2 0 279.384 2.778 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(OC(F)F)c1 ZINC000037715177 372692684 /nfs/dbraw/zinc/69/26/84/372692684.db2.gz VHHQDJFKYXZTQV-JTQLQIEISA-N 2 0 258.312 2.678 20 0 CFADRP c1cnc2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000037864212 372730563 /nfs/dbraw/zinc/73/05/63/372730563.db2.gz MKNCXJZHKYQISM-OAHLLOKOSA-N 2 0 281.403 2.809 20 0 CFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]CC2CCCCCC2)CC1 ZINC000472140465 245544926 /nfs/dbraw/zinc/54/49/26/245544926.db2.gz PWNRGSMXTYUFQQ-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1csc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000038090920 372772671 /nfs/dbraw/zinc/77/26/71/372772671.db2.gz VEJUIDGGGWSUFW-UHFFFAOYSA-N 2 0 288.420 2.605 20 0 CFADRP C[NH2+]C[C@H]1CCCN([C@@H](C)c2c(F)cccc2F)C1 ZINC000040592078 372785003 /nfs/dbraw/zinc/78/50/03/372785003.db2.gz DDYVLQGNUMQQAZ-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000474480565 245568161 /nfs/dbraw/zinc/56/81/61/245568161.db2.gz DTWFCHPLCULPNJ-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000333342006 205233279 /nfs/dbraw/zinc/23/32/79/205233279.db2.gz YHTHGSPNHFXCRK-GOEBONIOSA-N 2 0 273.424 2.568 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000333342004 205234443 /nfs/dbraw/zinc/23/44/43/205234443.db2.gz YHTHGSPNHFXCRK-GDBMZVCRSA-N 2 0 273.424 2.568 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000042519680 372930753 /nfs/dbraw/zinc/93/07/53/372930753.db2.gz GPKLESPUKLGXCE-ZDUSSCGKSA-N 2 0 252.427 2.958 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2ccsc2)CC1 ZINC000042598622 372937249 /nfs/dbraw/zinc/93/72/49/372937249.db2.gz ATUCOYZUNORRCY-UHFFFAOYSA-N 2 0 252.427 2.753 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)c1ccsc1)N1CC[NH+](C)CC1 ZINC000050344478 373371087 /nfs/dbraw/zinc/37/10/87/373371087.db2.gz JVNULZKALDKSAN-ZBFHGGJFSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC([NH3+])CC1 ZINC000051693776 373406084 /nfs/dbraw/zinc/40/60/84/373406084.db2.gz UYVKNCCWXMEFIX-LRVUVFPRSA-N 2 0 290.407 2.596 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c(OC)c1 ZINC000051693625 373406503 /nfs/dbraw/zinc/40/65/03/373406503.db2.gz FSLOWXXHUJRJIT-HIFPTAJRSA-N 2 0 278.396 2.624 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000051919524 373417708 /nfs/dbraw/zinc/41/77/08/373417708.db2.gz OSUXXTIADMWRDD-ZDUSSCGKSA-N 2 0 252.427 2.960 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054243578 373508243 /nfs/dbraw/zinc/50/82/43/373508243.db2.gz WOMAWNHCWFPMFP-OCCSQVGLSA-N 2 0 252.427 2.611 20 0 CFADRP CC(C)C1CC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000488432620 245854222 /nfs/dbraw/zinc/85/42/22/245854222.db2.gz MCFOHZWHLIRLAB-UQPPLGOBSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000060717452 373704209 /nfs/dbraw/zinc/70/42/09/373704209.db2.gz UMHNKYIMSQQJST-UHFFFAOYSA-N 2 0 282.378 2.970 20 0 CFADRP C[N@H+](Cc1ccc(Br)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000062911558 373772396 /nfs/dbraw/zinc/77/23/96/373772396.db2.gz NSENTXNHMJJLPZ-CQSZACIVSA-N 2 0 297.240 2.881 20 0 CFADRP C[N@H+](Cc1ccc(Br)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911557 373772866 /nfs/dbraw/zinc/77/28/66/373772866.db2.gz NSENTXNHMJJLPZ-AWEZNQCLSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000062050391 373743078 /nfs/dbraw/zinc/74/30/78/373743078.db2.gz ASMXRXPPTQBPKO-UKRRQHHQSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@@H](C)C[NH+](C)C)c1C ZINC000488992331 245918099 /nfs/dbraw/zinc/91/80/99/245918099.db2.gz JVARSGCGKHFNAD-GFCCVEGCSA-N 2 0 271.408 2.883 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OCC)CC1 ZINC000066057133 373909997 /nfs/dbraw/zinc/90/99/97/373909997.db2.gz WHJSGJMSLZWZQI-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000070074164 374121904 /nfs/dbraw/zinc/12/19/04/374121904.db2.gz BHPGMTSKCNYUTA-NSHDSACASA-N 2 0 254.324 2.526 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(OC)n1 ZINC000070093184 374125376 /nfs/dbraw/zinc/12/53/76/374125376.db2.gz ATBOGMCDCADRNU-CQSZACIVSA-N 2 0 279.428 2.690 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000070169420 374134894 /nfs/dbraw/zinc/13/48/94/374134894.db2.gz XRJKHEXGGNOPRX-ZDUSSCGKSA-N 2 0 250.361 2.695 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000070171541 374137776 /nfs/dbraw/zinc/13/77/76/374137776.db2.gz DCQONHBJYZBGTI-GXTWGEPZSA-N 2 0 258.365 2.992 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000070174007 374139340 /nfs/dbraw/zinc/13/93/40/374139340.db2.gz HBVCMRCMPNBQHD-ZIAGYGMSSA-N 2 0 264.438 2.838 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](C)C[NH+](C)C ZINC000571473151 383698424 /nfs/dbraw/zinc/69/84/24/383698424.db2.gz XKSQTHHAFCINLM-BBRMVZONSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)C[NH+](C)C ZINC000491595430 246084808 /nfs/dbraw/zinc/08/48/08/246084808.db2.gz ZYIWOTRGESMVII-NSHDSACASA-N 2 0 263.360 2.594 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C[NH+](C)C ZINC000491542366 246078155 /nfs/dbraw/zinc/07/81/55/246078155.db2.gz CVOYGEDLCVOYBC-HLLBOEOZSA-N 2 0 275.440 2.895 20 0 CFADRP C[C@H](C[NH2+]C/C=C\c1ccc(F)cc1F)C[NH+](C)C ZINC000491557199 246079734 /nfs/dbraw/zinc/07/97/34/246079734.db2.gz BQEGBTGMRBEOHB-QMAVJUDZSA-N 2 0 268.351 2.765 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000250524775 189967052 /nfs/dbraw/zinc/96/70/52/189967052.db2.gz WICXACXRDSZZQF-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)c2O1 ZINC000080510067 374659017 /nfs/dbraw/zinc/65/90/17/374659017.db2.gz NCXMLODCHSGIJK-CQSZACIVSA-N 2 0 288.435 2.961 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CCCOCC1)C1CCCCC1 ZINC000086873918 374805791 /nfs/dbraw/zinc/80/57/91/374805791.db2.gz QTGBBIRSOIFUAI-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000089145348 374873180 /nfs/dbraw/zinc/87/31/80/374873180.db2.gz CUXZUUDWDAXJNC-HIFRSBDPSA-N 2 0 264.438 2.886 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000089145784 374875465 /nfs/dbraw/zinc/87/54/65/374875465.db2.gz GZNORCOWLWSRRS-FZMZJTMJSA-N 2 0 254.324 2.572 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1C ZINC000090720624 375025009 /nfs/dbraw/zinc/02/50/09/375025009.db2.gz UDVHLHRTDFYFMB-CJNGLKHVSA-N 2 0 284.407 2.649 20 0 CFADRP Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253692 375098782 /nfs/dbraw/zinc/09/87/82/375098782.db2.gz NYNKMMNADARVMJ-CQSZACIVSA-N 2 0 264.388 2.908 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000093062755 375181748 /nfs/dbraw/zinc/18/17/48/375181748.db2.gz ZZVSQNRTZSGCLY-AWEZNQCLSA-N 2 0 264.413 2.763 20 0 CFADRP c1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093453115 375243396 /nfs/dbraw/zinc/24/33/96/375243396.db2.gz FCWUILBQHODWKD-KSZLIROESA-N 2 0 288.435 2.966 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000093464998 375244947 /nfs/dbraw/zinc/24/49/47/375244947.db2.gz UEPVZHNGXXJEDA-RHSMWYFYSA-N 2 0 276.424 2.843 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093495942 375254760 /nfs/dbraw/zinc/25/47/60/375254760.db2.gz UQLIWFHMFYUPCP-HOCLYGCPSA-N 2 0 261.413 2.525 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000093395011 375227667 /nfs/dbraw/zinc/22/76/67/375227667.db2.gz ZCVNYPJRHMVRGF-UHFFFAOYSA-N 2 0 296.499 2.981 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000093770720 375309976 /nfs/dbraw/zinc/30/99/76/375309976.db2.gz IIRUQARIMYDVMZ-CQSZACIVSA-N 2 0 271.408 2.942 20 0 CFADRP CSc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093861306 375323429 /nfs/dbraw/zinc/32/34/29/375323429.db2.gz LAOLNJVMUYPQAV-UHFFFAOYSA-N 2 0 252.427 2.825 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000093942170 375331653 /nfs/dbraw/zinc/33/16/53/375331653.db2.gz JUVVEXLDMLWGDI-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP Cn1cc(C[NH2+]CCC2CC[NH+](C)CC2)c(C(C)(C)C)n1 ZINC000093963674 375334206 /nfs/dbraw/zinc/33/42/06/375334206.db2.gz MWNGIIIFUZOEDP-UHFFFAOYSA-N 2 0 292.471 2.539 20 0 CFADRP COc1ccc(Cl)cc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000094024450 375335416 /nfs/dbraw/zinc/33/54/16/375335416.db2.gz MFXUKFOKSLCDRF-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094338847 375351669 /nfs/dbraw/zinc/35/16/69/375351669.db2.gz MXHRIKCLAHELHV-MFKMUULPSA-N 2 0 288.313 2.754 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000094341185 375354265 /nfs/dbraw/zinc/35/42/65/375354265.db2.gz KSWAZEOHKNQRIE-RHSMWYFYSA-N 2 0 292.423 2.523 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000094370363 375357351 /nfs/dbraw/zinc/35/73/51/375357351.db2.gz VPKOQOYOMDAYMF-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519060 375364510 /nfs/dbraw/zinc/36/45/10/375364510.db2.gz XQQIUPIQPJRUMU-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCC1 ZINC000094848904 375384632 /nfs/dbraw/zinc/38/46/32/375384632.db2.gz LRAYTAVPOBIFAG-UHFFFAOYSA-N 2 0 280.416 2.664 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678277401 541997671 /nfs/dbraw/zinc/99/76/71/541997671.db2.gz UICUBNTVXQKYEQ-LSDHHAIUSA-N 2 0 276.424 2.857 20 0 CFADRP CC(C)C1CCC(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000512029760 247207482 /nfs/dbraw/zinc/20/74/82/247207482.db2.gz DVMKGXCBFKWFIL-WWDZGPRUSA-N 2 0 295.515 2.674 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513754175 247224479 /nfs/dbraw/zinc/22/44/79/247224479.db2.gz IQQHHQIWFBXSNR-KURKYZTESA-N 2 0 272.436 3.000 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1N(C)C)C1CC[NH+](C)CC1 ZINC000678591791 542047671 /nfs/dbraw/zinc/04/76/71/542047671.db2.gz ZNSCMWYEYCVDKY-CQSZACIVSA-N 2 0 275.440 2.573 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000104314117 375778105 /nfs/dbraw/zinc/77/81/05/375778105.db2.gz PDTVFIYFGQXFTE-OAHLLOKOSA-N 2 0 262.397 2.659 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000104316651 375778870 /nfs/dbraw/zinc/77/88/70/375778870.db2.gz PKEMIDPJDWOZCK-GXFFZTMASA-N 2 0 279.453 2.895 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111695796 375863244 /nfs/dbraw/zinc/86/32/44/375863244.db2.gz FPZFSHVIAJZQMR-KGLIPLIRSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000111612060 375857948 /nfs/dbraw/zinc/85/79/48/375857948.db2.gz BGAPWXDNNLMYPI-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000113209078 375997454 /nfs/dbraw/zinc/99/74/54/375997454.db2.gz KMHFZLAYVKOMON-LLVKDONJSA-N 2 0 275.421 2.856 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514108 376021167 /nfs/dbraw/zinc/02/11/67/376021167.db2.gz XWFKKULYTJLNNX-INIZCTEOSA-N 2 0 276.424 2.647 20 0 CFADRP C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000119582857 376438283 /nfs/dbraw/zinc/43/82/83/376438283.db2.gz INRJKZGNOHQHTG-OAGGEKHMSA-N 2 0 276.424 2.837 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H](C)C1 ZINC000119643592 376445931 /nfs/dbraw/zinc/44/59/31/376445931.db2.gz MMPLPXRNXSAHIH-NVXWUHKLSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000120471697 376622486 /nfs/dbraw/zinc/62/24/86/376622486.db2.gz ZHTNHTLRXJYJTA-MPTQWLOMSA-N 2 0 296.842 2.692 20 0 CFADRP Cc1ccnc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000120888477 376715305 /nfs/dbraw/zinc/71/53/05/376715305.db2.gz NXBWQHRNYDYQQO-MRXNPFEDSA-N 2 0 271.408 2.868 20 0 CFADRP Cc1cnccc1CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000571674169 383716198 /nfs/dbraw/zinc/71/61/98/383716198.db2.gz OEPQKCNZTPNRQL-QGZVFWFLSA-N 2 0 287.451 2.596 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000121487766 376843689 /nfs/dbraw/zinc/84/36/89/376843689.db2.gz XPJNOIABENIWRY-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCN2CCc3ccccc32)CC[N@@H+]1C ZINC000121486341 376843779 /nfs/dbraw/zinc/84/37/79/376843779.db2.gz KBBKCDACNIMPSU-WBVHZDCISA-N 2 0 287.451 2.512 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000121668024 376880159 /nfs/dbraw/zinc/88/01/59/376880159.db2.gz HXQHPRWWJZJGFY-ZFWWWQNUSA-N 2 0 280.387 2.667 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC(F)(F)F)CC1 ZINC000123565841 376957592 /nfs/dbraw/zinc/95/75/92/376957592.db2.gz JPVRKQYJJKQZKK-UHFFFAOYSA-N 2 0 266.351 2.993 20 0 CFADRP COCC[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000124679740 377078388 /nfs/dbraw/zinc/07/83/88/377078388.db2.gz RGQSGVWLFNJEIX-HOTGVXAUSA-N 2 0 278.440 2.912 20 0 CFADRP C[NH2+]CCCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000124729834 377081483 /nfs/dbraw/zinc/08/14/83/377081483.db2.gz AUQAFTGYVJVUBQ-UHFFFAOYSA-N 2 0 276.302 2.627 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000125234509 377131735 /nfs/dbraw/zinc/13/17/35/377131735.db2.gz SJUMHBOWUSDSHO-UHFFFAOYSA-N 2 0 292.423 2.620 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2coc3ccccc23)C1 ZINC000125475378 377158921 /nfs/dbraw/zinc/15/89/21/377158921.db2.gz ZFIYTYDGKVNTNZ-CYBMUJFWSA-N 2 0 258.365 2.816 20 0 CFADRP Cc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000125720786 377187353 /nfs/dbraw/zinc/18/73/53/377187353.db2.gz IRBKVWSMMJEWHD-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)cn2)[C@H](C)C1 ZINC000125763485 377188878 /nfs/dbraw/zinc/18/88/78/377188878.db2.gz JOBFCEDNRLDQOX-ZBFHGGJFSA-N 2 0 261.413 2.552 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000126015263 377205683 /nfs/dbraw/zinc/20/56/83/377205683.db2.gz ODRHPBNNKOVWFM-ZBFHGGJFSA-N 2 0 292.471 2.754 20 0 CFADRP c1cn(C2CCCC2)nc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128111132 377318298 /nfs/dbraw/zinc/31/82/98/377318298.db2.gz OBMMCHFPBVYZNY-RHSMWYFYSA-N 2 0 288.439 2.715 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000128286637 377330212 /nfs/dbraw/zinc/33/02/12/377330212.db2.gz IPYCUCKXEQYHQO-GOSISDBHSA-N 2 0 289.467 2.755 20 0 CFADRP Cc1cccc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000129793925 377473661 /nfs/dbraw/zinc/47/36/61/377473661.db2.gz ASOURKIDLBJMJO-QGZVFWFLSA-N 2 0 289.467 2.625 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCCCO)c1 ZINC000679340454 542172636 /nfs/dbraw/zinc/17/26/36/542172636.db2.gz SZMUBLMKBOQRPB-HNNXBMFYSA-N 2 0 278.440 2.779 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000130556935 377575277 /nfs/dbraw/zinc/57/52/77/377575277.db2.gz XXLLLNZXSVAKGK-UHFFFAOYSA-N 2 0 286.423 2.727 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CSC1 ZINC000679624513 542214575 /nfs/dbraw/zinc/21/45/75/542214575.db2.gz ATNWLEGDVTZWBI-UHFFFAOYSA-N 2 0 264.438 2.732 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000131240937 377682291 /nfs/dbraw/zinc/68/22/91/377682291.db2.gz QCFSMOCIOYKNHW-UHFFFAOYSA-N 2 0 288.313 2.817 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000131424997 377709639 /nfs/dbraw/zinc/70/96/39/377709639.db2.gz HOECUBSYBGYHNF-HUUCEWRRSA-N 2 0 280.456 2.750 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)on2)cc1 ZINC000131712847 377750199 /nfs/dbraw/zinc/75/01/99/377750199.db2.gz YRRYACRZKVISMJ-KBPBESRZSA-N 2 0 285.391 2.819 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000131723093 377752476 /nfs/dbraw/zinc/75/24/76/377752476.db2.gz RAMYGBAHPNFOFJ-LSDHHAIUSA-N 2 0 284.403 2.888 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000132110665 377804008 /nfs/dbraw/zinc/80/40/08/377804008.db2.gz MEPBNFZKGPKTIT-CZUORRHYSA-N 2 0 262.397 2.736 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000132304917 377825148 /nfs/dbraw/zinc/82/51/48/377825148.db2.gz UQGSQVFLTCLFGW-USXIJHARSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)CC(C)C ZINC000132908748 377887087 /nfs/dbraw/zinc/88/70/87/377887087.db2.gz AQAPHDXNJNMZIE-ZACQAIPSSA-N 2 0 283.504 2.815 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000133366799 377924802 /nfs/dbraw/zinc/92/48/02/377924802.db2.gz RIBJJERAWOKOBS-QZTJIDSGSA-N 2 0 293.499 2.526 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133990761 377973413 /nfs/dbraw/zinc/97/34/13/377973413.db2.gz IFSRQCWAPAOFQC-QZTJIDSGSA-N 2 0 293.499 2.596 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000151719440 378353090 /nfs/dbraw/zinc/35/30/90/378353090.db2.gz AZWDKOXJHMNSCU-NJAFHUGGSA-N 2 0 287.451 2.506 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000153898854 378521806 /nfs/dbraw/zinc/52/18/06/378521806.db2.gz ABVIBCHHKSRVPP-ULQDDVLXSA-N 2 0 288.435 2.651 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000154260907 378552549 /nfs/dbraw/zinc/55/25/49/378552549.db2.gz UBAMQVPGXAJAFX-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OC)c2)[C@H](C)C1 ZINC000158952450 378675974 /nfs/dbraw/zinc/67/59/74/378675974.db2.gz QGNWAESGZFYEIF-PBHICJAKSA-N 2 0 276.424 2.558 20 0 CFADRP COc1cccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000158967114 378678242 /nfs/dbraw/zinc/67/82/42/378678242.db2.gz VIHNYJNNJFVFBS-KEYYUXOJSA-N 2 0 276.424 2.556 20 0 CFADRP c1cn(CCN2CCCC[C@@H]2c2nc3ccccc3[nH]2)cn1 ZINC000451877087 383731109 /nfs/dbraw/zinc/73/11/09/383731109.db2.gz HKIBDFGHDFALKB-MRXNPFEDSA-N 2 0 295.390 2.987 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529568783 383731537 /nfs/dbraw/zinc/73/15/37/383731537.db2.gz GTWCJOOMNCXOQW-SUMWQHHRSA-N 2 0 271.408 2.940 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000161781716 378871866 /nfs/dbraw/zinc/87/18/66/378871866.db2.gz CNGAFWZZNHTCJI-ZBFHGGJFSA-N 2 0 276.424 2.824 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000334212509 378932639 /nfs/dbraw/zinc/93/26/39/378932639.db2.gz RPEKNCVHZXCCDT-GFCCVEGCSA-N 2 0 252.789 2.737 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000334213610 378934665 /nfs/dbraw/zinc/93/46/65/378934665.db2.gz SHTHQEJIQRLVDQ-OCCSQVGLSA-N 2 0 255.365 2.926 20 0 CFADRP C[C@H](CC[NH+](C)C)NCc1cnc(-c2ccco2)s1 ZINC000278548136 194037880 /nfs/dbraw/zinc/03/78/80/194037880.db2.gz URKZCJZKPGAGLI-LLVKDONJSA-N 2 0 279.409 2.833 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163491249 378976809 /nfs/dbraw/zinc/97/68/09/378976809.db2.gz HITCLMRVPBUOEP-AGIUHOORSA-N 2 0 250.361 2.803 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[N@@H+]2C1 ZINC000334226077 378949593 /nfs/dbraw/zinc/94/95/93/378949593.db2.gz MTNAXEIHQQBQCE-IAGOWNOFSA-N 2 0 292.467 2.942 20 0 CFADRP c1csc([C@@H]2CCCCN2CCn2ccnc2)n1 ZINC000163215928 378959343 /nfs/dbraw/zinc/95/93/43/378959343.db2.gz DYXIXKKZDWDWAR-LBPRGKRZSA-N 2 0 262.382 2.567 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423554934 296285294 /nfs/dbraw/zinc/28/52/94/296285294.db2.gz XJFHUKIEDSIXJA-KHMAMNHCSA-N 2 0 250.430 2.789 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278571911 194050130 /nfs/dbraw/zinc/05/01/30/194050130.db2.gz XMRWTZYWPCBBFV-UHFFFAOYSA-N 2 0 279.409 2.835 20 0 CFADRP C[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000163811934 378991033 /nfs/dbraw/zinc/99/10/33/378991033.db2.gz QBVHIFUNLFXBQF-HIFRSBDPSA-N 2 0 285.391 2.758 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccnc1 ZINC000164125587 379006550 /nfs/dbraw/zinc/00/65/50/379006550.db2.gz MNEZPEUEHRBEEZ-HYVNUMGLSA-N 2 0 275.440 2.894 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000336832498 284736537 /nfs/dbraw/zinc/73/65/37/284736537.db2.gz FNRMUQLQWGELBE-HNNXBMFYSA-N 3 0 277.456 2.745 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1F)CC[NH2+]CC2 ZINC000335280031 379019334 /nfs/dbraw/zinc/01/93/34/379019334.db2.gz QXAXPHJKNRWTDD-ZDUSSCGKSA-N 2 0 262.372 2.790 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC000164704062 379023950 /nfs/dbraw/zinc/02/39/50/379023950.db2.gz JHLNAGVAAVANLN-MLGOLLRUSA-N 2 0 282.378 2.827 20 0 CFADRP Cc1cccc2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cn21 ZINC000335282912 379024031 /nfs/dbraw/zinc/02/40/31/379024031.db2.gz YIUUVRMCNPNVSS-HNNXBMFYSA-N 2 0 298.434 2.607 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1OC ZINC000165978236 379046365 /nfs/dbraw/zinc/04/63/65/379046365.db2.gz DATAJUSJPGJBNX-HUUCEWRRSA-N 2 0 294.439 2.703 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000166036938 379049741 /nfs/dbraw/zinc/04/97/41/379049741.db2.gz OIZNLSNLVZOULL-BBRMVZONSA-N 2 0 282.403 2.833 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c[nH]nc2c1 ZINC000289451731 197353784 /nfs/dbraw/zinc/35/37/84/197353784.db2.gz NHKOWLHVWQGSSH-UHFFFAOYSA-N 2 0 286.423 2.871 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335451651 379320386 /nfs/dbraw/zinc/32/03/86/379320386.db2.gz JXCUIVFLOBSJNR-ZBFHGGJFSA-N 2 0 273.424 2.758 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000335481460 379376424 /nfs/dbraw/zinc/37/64/24/379376424.db2.gz SRKQZTCKQDBKSI-SFHVURJKSA-N 2 0 285.435 2.863 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cs1 ZINC000334531368 379466779 /nfs/dbraw/zinc/46/67/79/379466779.db2.gz TUUCFSWETIEUPN-DGCLKSJQSA-N 2 0 261.394 2.919 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCCC2 ZINC000335553488 379500577 /nfs/dbraw/zinc/50/05/77/379500577.db2.gz XQHHAYYTLHSNTM-OAHLLOKOSA-N 2 0 264.800 2.917 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc4c(n3)CCC4)C2)CC1 ZINC000334564041 379534491 /nfs/dbraw/zinc/53/44/91/379534491.db2.gz QWSYUNUNMPHXRC-QGZVFWFLSA-N 2 0 299.462 2.734 20 0 CFADRP Fc1ccc(/C=C/C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000334550051 379507373 /nfs/dbraw/zinc/50/73/73/379507373.db2.gz CYMJKLIPKCOOQX-OWOJBTEDSA-N 2 0 274.383 2.914 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423127851 284790930 /nfs/dbraw/zinc/79/09/30/284790930.db2.gz PSIYWTQDUUTFRY-KGLIPLIRSA-N 2 0 256.434 2.689 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000335634179 379634653 /nfs/dbraw/zinc/63/46/53/379634653.db2.gz MYEDKVLWJQTMSA-ZIAGYGMSSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000335635184 379636348 /nfs/dbraw/zinc/63/63/48/379636348.db2.gz QOCRMEGQGSNIIJ-ZIAGYGMSSA-N 2 0 279.453 2.581 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335616089 379608925 /nfs/dbraw/zinc/60/89/25/379608925.db2.gz UGSGVVFEPSOJLN-WTIISPKJSA-N 2 0 260.372 2.788 20 0 CFADRP Cc1nsc(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000571937455 383740450 /nfs/dbraw/zinc/74/04/50/383740450.db2.gz XXJLOSWENMANEC-ZWNOBZJWSA-N 2 0 267.442 2.674 20 0 CFADRP Cc1cnc(C)nc1N1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000571940180 383740541 /nfs/dbraw/zinc/74/05/41/383740541.db2.gz UBKIJNZZDUYQPX-CQSZACIVSA-N 2 0 297.406 2.620 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174316010 379863185 /nfs/dbraw/zinc/86/31/85/379863185.db2.gz ZWGYNBHCYIIUJY-WCVJEAGWSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000335750421 379827347 /nfs/dbraw/zinc/82/73/47/379827347.db2.gz YVDCPFQKRNFPRW-GASCZTMLSA-N 2 0 282.391 2.808 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000174355062 379870811 /nfs/dbraw/zinc/87/08/11/379870811.db2.gz SUHNBAOSRSAJOZ-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP OCc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)o1 ZINC000174386013 379874926 /nfs/dbraw/zinc/87/49/26/379874926.db2.gz FTIFFPDJNWWNND-UHFFFAOYSA-N 2 0 280.412 2.518 20 0 CFADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335057535 379965324 /nfs/dbraw/zinc/96/53/24/379965324.db2.gz FNPADJLFGJXXGW-OAHLLOKOSA-N 2 0 262.784 2.837 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)nc2)[C@H](C)C1 ZINC000174773040 379938049 /nfs/dbraw/zinc/93/80/49/379938049.db2.gz TUUOKCZFABPFGH-TZMCWYRMSA-N 2 0 281.831 2.897 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335036034 379960937 /nfs/dbraw/zinc/96/09/37/379960937.db2.gz IKTBLNKCWKKWMP-RDHHWEPZSA-N 2 0 293.499 2.617 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000335220971 380030006 /nfs/dbraw/zinc/03/00/06/380030006.db2.gz YGJHYJQALZDKEV-IMRCBTMISA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000335238083 380061467 /nfs/dbraw/zinc/06/14/67/380061467.db2.gz KBLLEFIGVQSXNA-SJORKVTESA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000335241689 380065793 /nfs/dbraw/zinc/06/57/93/380065793.db2.gz UYAKIIGUGRCCBA-WBVHZDCISA-N 2 0 292.398 2.544 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335227621 380042136 /nfs/dbraw/zinc/04/21/36/380042136.db2.gz PFDQUPJJBLFYKA-GXSJLCMTSA-N 2 0 258.818 2.879 20 0 CFADRP CCC[C@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432363143 383742375 /nfs/dbraw/zinc/74/23/75/383742375.db2.gz SPIQOCRIPQSZMZ-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000335259589 380096688 /nfs/dbraw/zinc/09/66/88/380096688.db2.gz KNMUKGLXAYLXLE-SMDDNHRTSA-N 2 0 252.789 2.879 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000336005197 380224412 /nfs/dbraw/zinc/22/44/12/380224412.db2.gz XXDLXQBCBHSZKB-CYBMUJFWSA-N 2 0 259.328 2.504 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177217120 380317135 /nfs/dbraw/zinc/31/71/35/380317135.db2.gz AONYKXHFOVWWSU-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000177226711 380318753 /nfs/dbraw/zinc/31/87/53/380318753.db2.gz VVFULPZTIZFHDO-ZDUSSCGKSA-N 2 0 262.397 2.515 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])CC(C)C ZINC000422824875 284825387 /nfs/dbraw/zinc/82/53/87/284825387.db2.gz IFIBDVHNPUUMJO-ULQDDVLXSA-N 2 0 283.504 2.993 20 0 CFADRP CCc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000336190739 380283541 /nfs/dbraw/zinc/28/35/41/380283541.db2.gz ZHYRTNKHYNIYKZ-BBRMVZONSA-N 2 0 259.397 2.565 20 0 CFADRP F[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000336514781 380393493 /nfs/dbraw/zinc/39/34/93/380393493.db2.gz YJRRWVOWLWLMIE-GXTWGEPZSA-N 2 0 263.360 2.531 20 0 CFADRP C[C@@H]1CSCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000336544590 380443936 /nfs/dbraw/zinc/44/39/36/380443936.db2.gz UJPYMIBWFRIBHO-KBPBESRZSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000178412817 380450107 /nfs/dbraw/zinc/45/01/07/380450107.db2.gz LKAWPJKYAXBULH-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CCCOC)CC1 ZINC000178117649 380410829 /nfs/dbraw/zinc/41/08/29/380410829.db2.gz MWSYZOWDHUZGEW-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000178895010 380493170 /nfs/dbraw/zinc/49/31/70/380493170.db2.gz DYGVMALDIZVERK-BBWFWOEESA-N 2 0 280.456 2.822 20 0 CFADRP CCc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000336558240 380464664 /nfs/dbraw/zinc/46/46/64/380464664.db2.gz JARUTWVRPISVSH-UHFFFAOYSA-N 2 0 273.424 2.704 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000336650117 380584103 /nfs/dbraw/zinc/58/41/03/380584103.db2.gz DMCZRGGHCUKVEE-GHMZBOCLSA-N 2 0 285.229 2.565 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336786102 380630977 /nfs/dbraw/zinc/63/09/77/380630977.db2.gz GYAIDRUGUVHNLC-HNNXBMFYSA-N 2 0 270.486 2.792 20 0 CFADRP c1cn2c(cccc2C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000180273792 380642175 /nfs/dbraw/zinc/64/21/75/380642175.db2.gz UJEMGXFEJCIOOL-OKILXGFUSA-N 2 0 255.365 2.956 20 0 CFADRP CC(C)SCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336686490 380591874 /nfs/dbraw/zinc/59/18/74/380591874.db2.gz DWBNXZRSWWYRER-CQSZACIVSA-N 2 0 258.475 2.934 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1sccc1Br ZINC000336690234 380594938 /nfs/dbraw/zinc/59/49/38/380594938.db2.gz OMEPBIFRGQTZPJ-MRVPVSSYSA-N 2 0 277.231 2.728 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000181201803 380757087 /nfs/dbraw/zinc/75/70/87/380757087.db2.gz TXHCAKCAVIPEME-KCXAZCMYSA-N 2 0 280.387 2.586 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000341191878 380823568 /nfs/dbraw/zinc/82/35/68/380823568.db2.gz OYAVOUGXGYDQLI-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000341174297 380815806 /nfs/dbraw/zinc/81/58/06/380815806.db2.gz PNFWXMRBAIUJDZ-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000346998869 380862867 /nfs/dbraw/zinc/86/28/67/380862867.db2.gz YCXBWYAREVEDDY-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000400962805 380865809 /nfs/dbraw/zinc/86/58/09/380865809.db2.gz CDYRBSXJDRKZRP-SPWCGHHHSA-N 2 0 262.397 2.935 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400955635 380866072 /nfs/dbraw/zinc/86/60/72/380866072.db2.gz JJMPNGCYGUDWTG-LEUOFYLZSA-N 2 0 272.436 2.904 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000347000618 380866144 /nfs/dbraw/zinc/86/61/44/380866144.db2.gz ZQHVWLYDZRPBEG-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347003460 380867659 /nfs/dbraw/zinc/86/76/59/380867659.db2.gz LLNZYNXLQGDESN-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c[nH]1 ZINC000367967696 380869292 /nfs/dbraw/zinc/86/92/92/380869292.db2.gz VAKIGBCOLQTPLR-RBUKOAKNSA-N 2 0 295.430 2.969 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181615366 380843570 /nfs/dbraw/zinc/84/35/70/380843570.db2.gz WWILDHMDRDUGPC-HIFRSBDPSA-N 2 0 262.397 2.576 20 0 CFADRP OCCC[N@@H+](Cc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC000346982321 380844594 /nfs/dbraw/zinc/84/45/94/380844594.db2.gz NJXAJVFCJALDBE-UHFFFAOYSA-N 2 0 296.842 2.524 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000347013446 380878776 /nfs/dbraw/zinc/87/87/76/380878776.db2.gz WNIQYVRUAOIRGX-NVXWUHKLSA-N 2 0 290.451 2.805 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346982172 380845081 /nfs/dbraw/zinc/84/50/81/380845081.db2.gz NKTAJBYZQONZTC-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP c1cn(CCC[N@@H+]2CCC[C@H]2c2cccnc2)cn1 ZINC000346984671 380847656 /nfs/dbraw/zinc/84/76/56/380847656.db2.gz PDASCHCMSWAYRI-HNNXBMFYSA-N 2 0 256.353 2.505 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000399975701 380850408 /nfs/dbraw/zinc/85/04/08/380850408.db2.gz CXLUJNUPFKREEQ-QMTHXVAHSA-N 2 0 252.427 2.937 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000358456186 380857193 /nfs/dbraw/zinc/85/71/93/380857193.db2.gz AWHKYMWEWCWILM-LISAXSMJSA-N 2 0 293.499 2.569 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346993847 380857689 /nfs/dbraw/zinc/85/76/89/380857689.db2.gz AVXNWINEVGNYMG-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346995659 380859826 /nfs/dbraw/zinc/85/98/26/380859826.db2.gz BSGOWFLDQGXUSX-GDBMZVCRSA-N 2 0 298.434 2.944 20 0 CFADRP COc1c(C)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1C ZINC000347086080 380928105 /nfs/dbraw/zinc/92/81/05/380928105.db2.gz BNXCAATVMLSRGW-AWEZNQCLSA-N 2 0 276.424 2.871 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000181740032 380881607 /nfs/dbraw/zinc/88/16/07/380881607.db2.gz BDSCHSCTYWJUQP-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000181740054 380881616 /nfs/dbraw/zinc/88/16/16/380881616.db2.gz BDSCHSCTYWJUQP-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OC ZINC000347019922 380885704 /nfs/dbraw/zinc/88/57/04/380885704.db2.gz MBSSVLFWMNDNSE-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(F)ncc1F ZINC000295499540 380897864 /nfs/dbraw/zinc/89/78/64/380897864.db2.gz TYCNOSDOFULESE-GFCCVEGCSA-N 2 0 285.382 2.960 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347040177 380898513 /nfs/dbraw/zinc/89/85/13/380898513.db2.gz HPZBTDDCFOROPP-WFASDCNBSA-N 2 0 292.471 2.814 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347039549 380899369 /nfs/dbraw/zinc/89/93/69/380899369.db2.gz JOUSLJDHQPDWJH-WKIIYXSPSA-N 2 0 274.408 2.768 20 0 CFADRP CC(C)c1cc(NCC[N@H+](C)C2CC2)nc(C(C)C)n1 ZINC000341287594 380903627 /nfs/dbraw/zinc/90/36/27/380903627.db2.gz PISFJMCEJWZBCV-UHFFFAOYSA-N 2 0 276.428 2.651 20 0 CFADRP C[C@H]1C[N@@H+]([C@@H]2CCC(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000368051264 380904011 /nfs/dbraw/zinc/90/40/11/380904011.db2.gz LNMNRGYFCMHUGW-DOTOQJQBSA-N 2 0 293.499 2.665 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347056446 380911232 /nfs/dbraw/zinc/91/12/32/380911232.db2.gz VGVAIZIMLDUUGI-WMLDXEAASA-N 2 0 276.424 2.891 20 0 CFADRP CC(C)(C)n1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000347091732 380931851 /nfs/dbraw/zinc/93/18/51/380931851.db2.gz GDGSGTONGLLJJW-MRXNPFEDSA-N 2 0 290.455 2.602 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000353926418 380961927 /nfs/dbraw/zinc/96/19/27/380961927.db2.gz FXKAGOXBCPMEFJ-HNNXBMFYSA-N 2 0 298.471 2.677 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000341372397 380973605 /nfs/dbraw/zinc/97/36/05/380973605.db2.gz KEOWRVSMFYNWDZ-UHFFFAOYSA-N 2 0 278.444 2.594 20 0 CFADRP Cc1ccc(CCC[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000353946340 380978964 /nfs/dbraw/zinc/97/89/64/380978964.db2.gz USGHDJJHUNCMMS-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000353947882 380979405 /nfs/dbraw/zinc/97/94/05/380979405.db2.gz PUNLHPYUUPLIPN-WDEREUQCSA-N 2 0 264.335 2.649 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c(F)cn1 ZINC000287809502 380945688 /nfs/dbraw/zinc/94/56/88/380945688.db2.gz UPOGNUFHWGNATO-LBPRGKRZSA-N 2 0 295.402 2.612 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)CCN1C ZINC000181947149 380946360 /nfs/dbraw/zinc/94/63/60/380946360.db2.gz DZYVAZFJCODVOH-CABCVRRESA-N 2 0 298.471 2.913 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000347112670 380947215 /nfs/dbraw/zinc/94/72/15/380947215.db2.gz RNEATGASHSKFOU-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186631 381014194 /nfs/dbraw/zinc/01/41/94/381014194.db2.gz CGRYZIUFDOXYMB-HUUCEWRRSA-N 2 0 298.471 2.770 20 0 CFADRP CCc1nc(C)cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000287999722 380989013 /nfs/dbraw/zinc/98/90/13/380989013.db2.gz VQOSVZNMXFMMDE-AWEZNQCLSA-N 2 0 276.428 2.737 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(Cl)c1 ZINC000347183530 380989057 /nfs/dbraw/zinc/98/90/57/380989057.db2.gz XPXVCHSSLKJFGS-NSHDSACASA-N 2 0 282.815 2.908 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000341404623 380996983 /nfs/dbraw/zinc/99/69/83/380996983.db2.gz NXVBMFGHEJBFLP-UHFFFAOYSA-N 2 0 292.471 2.982 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC000368351733 380998011 /nfs/dbraw/zinc/99/80/11/380998011.db2.gz JYNDLYCQQGLNDK-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1ncccc1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000347199513 380998237 /nfs/dbraw/zinc/99/82/37/380998237.db2.gz OMCNFWJVXLSVAE-UHFFFAOYSA-N 2 0 291.314 2.679 20 0 CFADRP C[C@@H](CC[NH+](C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358668675 381003759 /nfs/dbraw/zinc/00/37/59/381003759.db2.gz SRGQJIPQVRDCGW-HNNXBMFYSA-N 2 0 281.488 2.713 20 0 CFADRP Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)nc(C2CC2)n1 ZINC000341499221 381051629 /nfs/dbraw/zinc/05/16/29/381051629.db2.gz LAFYMURITXGHMR-GXTWGEPZSA-N 2 0 288.439 2.617 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368530574 381056662 /nfs/dbraw/zinc/05/66/62/381056662.db2.gz NRBCWGQOVBFHNC-ZWKOTPCHSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCO2 ZINC000182306627 381058034 /nfs/dbraw/zinc/05/80/34/381058034.db2.gz JLPFUYLJWJFSOM-GXTWGEPZSA-N 2 0 276.380 2.550 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000354080530 381067566 /nfs/dbraw/zinc/06/75/66/381067566.db2.gz AFZRMAMPEQMGQD-SFHVURJKSA-N 2 0 290.451 2.928 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000354085169 381070005 /nfs/dbraw/zinc/07/00/05/381070005.db2.gz UVRCMKYTNWSLKE-IRXDYDNUSA-N 2 0 280.456 2.775 20 0 CFADRP CC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182235587 381034557 /nfs/dbraw/zinc/03/45/57/381034557.db2.gz FFKRNJPPDPMYRK-WMLDXEAASA-N 2 0 276.424 2.531 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368608999 381083614 /nfs/dbraw/zinc/08/36/14/381083614.db2.gz ULDQHNHGGARGBI-QCODTGAPSA-N 2 0 292.423 2.554 20 0 CFADRP Cc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000347363783 381098457 /nfs/dbraw/zinc/09/84/57/381098457.db2.gz OIBITBJSUFKVNZ-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP Cc1[nH+]ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1Cl ZINC000354138010 381102112 /nfs/dbraw/zinc/10/21/12/381102112.db2.gz OZOWPDYLYDCXTC-VXGBXAGGSA-N 2 0 267.804 2.750 20 0 CFADRP Cc1[nH+]ccc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1Cl ZINC000354156312 381111802 /nfs/dbraw/zinc/11/18/02/381111802.db2.gz YGHXZFQEQXJYIR-ZDUSSCGKSA-N 2 0 281.831 2.855 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000347391792 381116878 /nfs/dbraw/zinc/11/68/78/381116878.db2.gz JXTDRNHIPKDJDW-UHFFFAOYSA-N 2 0 290.451 2.867 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000354095828 381075914 /nfs/dbraw/zinc/07/59/14/381075914.db2.gz FMGZQNDFVRKNDP-OAHLLOKOSA-N 2 0 296.480 2.989 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(OC)CC2)[C@@H](C)C1 ZINC000347417583 381137203 /nfs/dbraw/zinc/13/72/03/381137203.db2.gz BJMOJVZWWJRTSA-LBDPXKHJSA-N 2 0 268.445 2.512 20 0 CFADRP COC1CC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347442037 381154918 /nfs/dbraw/zinc/15/49/18/381154918.db2.gz RSRWGDHJGPGLLT-UHFFFAOYSA-N 2 0 274.408 2.549 20 0 CFADRP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cs1 ZINC000295932664 381165909 /nfs/dbraw/zinc/16/59/09/381165909.db2.gz FVPXRSXOKXDUPK-UHFFFAOYSA-N 2 0 295.496 2.514 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000354180880 381124530 /nfs/dbraw/zinc/12/45/30/381124530.db2.gz JPAWIGABRBOGDF-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCCCO1 ZINC000347415626 381135241 /nfs/dbraw/zinc/13/52/41/381135241.db2.gz RFPYMMRGSUSYFO-DLBZAZTESA-N 2 0 280.456 2.896 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000369225916 381217065 /nfs/dbraw/zinc/21/70/65/381217065.db2.gz RORKKHLRMVXBQR-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000358959237 381176244 /nfs/dbraw/zinc/17/62/44/381176244.db2.gz ZVSYRWRBQDRUPW-KSZLIROESA-N 2 0 294.483 2.661 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000354330008 381206446 /nfs/dbraw/zinc/20/64/46/381206446.db2.gz NBODAXYDGPLACD-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000183073577 381211046 /nfs/dbraw/zinc/21/10/46/381211046.db2.gz MVLFECKHZSUVPN-CVEARBPZSA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000183073625 381211720 /nfs/dbraw/zinc/21/17/20/381211720.db2.gz IREHFDNOGKBXBK-SJORKVTESA-N 2 0 296.499 2.981 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCC(C)CC1 ZINC000359015471 381216560 /nfs/dbraw/zinc/21/65/60/381216560.db2.gz NVMHEJMLHNQRPM-FYRZTWFESA-N 2 0 268.445 2.512 20 0 CFADRP c1cc2cc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)ccc2o1 ZINC000290003586 381256867 /nfs/dbraw/zinc/25/68/67/381256867.db2.gz LIGCTURDVBOKOD-LSDHHAIUSA-N 2 0 256.349 2.617 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC000290018829 381262850 /nfs/dbraw/zinc/26/28/50/381262850.db2.gz CDIXCILSXDPJJB-HOCLYGCPSA-N 2 0 294.439 2.703 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000354432497 381262964 /nfs/dbraw/zinc/26/29/64/381262964.db2.gz YTNGOOKSFBKCKJ-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)N1CCc2nc(C[NH2+][C@@H]3CC[C@H](F)C3)sc2C1 ZINC000342275182 381241024 /nfs/dbraw/zinc/24/10/24/381241024.db2.gz AKNUTUZFDVNPNP-NWDGAFQWSA-N 2 0 297.443 2.890 20 0 CFADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000296091469 381250840 /nfs/dbraw/zinc/25/08/40/381250840.db2.gz RGLHFHFVOMMASI-GFCCVEGCSA-N 2 0 297.358 2.953 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](CC)CC1 ZINC000354467095 381290335 /nfs/dbraw/zinc/29/03/35/381290335.db2.gz RSDSLFQWKLPGTQ-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC)cc1 ZINC000359214895 381291808 /nfs/dbraw/zinc/29/18/08/381291808.db2.gz HRJUDRLFYLMSKU-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP c1csc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359228778 381299452 /nfs/dbraw/zinc/29/94/52/381299452.db2.gz XXPDTULLNBXSCU-CQSZACIVSA-N 2 0 279.453 2.712 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cs1 ZINC000296166916 381283786 /nfs/dbraw/zinc/28/37/86/381283786.db2.gz WXXWJTVWNZLFNG-LSDHHAIUSA-N 2 0 264.438 2.973 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000354460178 381284914 /nfs/dbraw/zinc/28/49/14/381284914.db2.gz KXMVQLBBMWXUIV-QAETUUGQSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342416358 381321991 /nfs/dbraw/zinc/32/19/91/381321991.db2.gz LPMFHFMCSXNORP-AWEZNQCLSA-N 2 0 279.428 2.546 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(F)nc3)C2)CC1 ZINC000369715397 381318791 /nfs/dbraw/zinc/31/87/91/381318791.db2.gz SDGWIJYGBMFFIX-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000290142712 381318782 /nfs/dbraw/zinc/31/87/82/381318782.db2.gz CHNPODJFUDDROI-JQHSSLGASA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(F)ncc2F)C1 ZINC000296319434 381344598 /nfs/dbraw/zinc/34/45/98/381344598.db2.gz HCISLCMJEOTKLH-ZDUSSCGKSA-N 2 0 297.393 2.962 20 0 CFADRP C[C@H](CN(C)CCC[NH+]1CCCC1)c1nccs1 ZINC000183950676 381345429 /nfs/dbraw/zinc/34/54/29/381345429.db2.gz XCTLFIUHAXMALX-CYBMUJFWSA-N 2 0 267.442 2.664 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2COCC)CC1 ZINC000354582307 381351829 /nfs/dbraw/zinc/35/18/29/381351829.db2.gz YREFSLCOQFTWEG-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP COC(=O)CCC(C)(C)[NH2+]CCCc1ccc(C)nc1 ZINC000354638448 381378382 /nfs/dbraw/zinc/37/83/82/381378382.db2.gz QGTTZSVBGCMFHF-UHFFFAOYSA-N 2 0 278.396 2.644 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000347804199 381357858 /nfs/dbraw/zinc/35/78/58/381357858.db2.gz ZHPRFYVULMDTKS-PMPSAXMXSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359349907 381366596 /nfs/dbraw/zinc/36/65/96/381366596.db2.gz WLKCETNDSRREJR-CHWSQXEVSA-N 2 0 252.427 2.671 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccsc2)C1 ZINC000290406004 381417143 /nfs/dbraw/zinc/41/71/43/381417143.db2.gz JTJHHCSNZCTRAY-KBPBESRZSA-N 2 0 250.411 2.664 20 0 CFADRP CC(C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000370208235 381405823 /nfs/dbraw/zinc/40/58/23/381405823.db2.gz QNSOHVATJHQMAX-GASCZTMLSA-N 2 0 268.445 2.606 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccco2)[C@@H](C)C1 ZINC000359432796 381411564 /nfs/dbraw/zinc/41/15/64/381411564.db2.gz WVFSSYLDXAROOY-DOTOQJQBSA-N 2 0 294.439 2.549 20 0 CFADRP C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(-n2ccnc2)cc1 ZINC000342584818 381414069 /nfs/dbraw/zinc/41/40/69/381414069.db2.gz IIEWZJPHNGNWFG-KRWDZBQOSA-N 2 0 285.391 2.873 20 0 CFADRP CCc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cn1 ZINC000347864766 381386586 /nfs/dbraw/zinc/38/65/86/381386586.db2.gz NTRXHQZCUSINMQ-RHSMWYFYSA-N 2 0 275.440 2.949 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290337121 381390619 /nfs/dbraw/zinc/39/06/19/381390619.db2.gz FEWAFTALVSRCHA-ROUUACIJSA-N 2 0 288.435 2.749 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290342335 381392318 /nfs/dbraw/zinc/39/23/18/381392318.db2.gz FMBOXJBBYNSEIZ-WBVHZDCISA-N 2 0 274.408 2.611 20 0 CFADRP CC(C)SCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000370182088 381400017 /nfs/dbraw/zinc/40/00/17/381400017.db2.gz HZOBVXXXLJJOHW-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000370205944 381403622 /nfs/dbraw/zinc/40/36/22/381403622.db2.gz HJDHPQLXJJKLCC-CQSZACIVSA-N 2 0 256.353 2.642 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCSC(C)(C)C)CC[C@H]21 ZINC000370284695 381421614 /nfs/dbraw/zinc/42/16/14/381421614.db2.gz FXXPHYALEWWWSU-ZIAGYGMSSA-N 2 0 270.486 2.934 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]CC2CCOCC2)[C@H]1c1ccccc1 ZINC000370310663 381427064 /nfs/dbraw/zinc/42/70/64/381427064.db2.gz RPEVYLBPMPODCB-QZTJIDSGSA-N 2 0 288.435 2.696 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000342616740 381437280 /nfs/dbraw/zinc/43/72/80/381437280.db2.gz QNPLRPRXNHFEQD-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP CSC1(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000347927108 381418303 /nfs/dbraw/zinc/41/83/03/381418303.db2.gz UGFOKJIYPFDSET-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348248712 381476246 /nfs/dbraw/zinc/47/62/46/381476246.db2.gz TZZQJSQYFHYQHJ-DLBZAZTESA-N 2 0 258.409 2.722 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637675 381482530 /nfs/dbraw/zinc/48/25/30/381482530.db2.gz VPJREBLXSFPXNO-BQFCYCMXSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000370646709 381483054 /nfs/dbraw/zinc/48/30/54/381483054.db2.gz YLDXZOJUDFUWIT-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCC(C)(C)O2)CC1 ZINC000184655668 381454939 /nfs/dbraw/zinc/45/49/39/381454939.db2.gz OPYPOHRHESUYIZ-OAHLLOKOSA-N 2 0 268.445 2.750 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000348324264 381508831 /nfs/dbraw/zinc/50/88/31/381508831.db2.gz SXTSKJHIELJJDM-IRXDYDNUSA-N 2 0 292.471 2.763 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000359629819 381520785 /nfs/dbraw/zinc/52/07/85/381520785.db2.gz GRGJRXRZYMDPMF-NSHDSACASA-N 2 0 264.335 2.959 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348340747 381517198 /nfs/dbraw/zinc/51/71/98/381517198.db2.gz XMQNHZAPWYEWSK-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000359678957 381550704 /nfs/dbraw/zinc/55/07/04/381550704.db2.gz OOSCGYZMWKUYSF-QGZVFWFLSA-N 2 0 278.440 2.899 20 0 CFADRP CCCC[C@H](COC)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000359638682 381527018 /nfs/dbraw/zinc/52/70/18/381527018.db2.gz UDEZVPSZOUHJFM-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000355049367 381583008 /nfs/dbraw/zinc/58/30/08/381583008.db2.gz HAKJUTYWQXBRMS-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(O)CCC3)CC2)C1 ZINC000342811365 381560405 /nfs/dbraw/zinc/56/04/05/381560405.db2.gz DQDSSWBRXPDVSY-RDJZCZTQSA-N 2 0 294.483 2.924 20 0 CFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccsc1 ZINC000297546778 381565058 /nfs/dbraw/zinc/56/50/58/381565058.db2.gz FJBNGSHXORVZRH-INIZCTEOSA-N 2 0 295.496 2.816 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414170316 381566778 /nfs/dbraw/zinc/56/67/78/381566778.db2.gz BXHJOXPOOYMQKT-OWCLPIDISA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000185219845 381568117 /nfs/dbraw/zinc/56/81/17/381568117.db2.gz ZGNDKCBSAGHGRS-CABCVRRESA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccccc3C[C@@H]2C)CC[NH2+]1 ZINC000414715989 381602701 /nfs/dbraw/zinc/60/27/01/381602701.db2.gz WJNBYOIOMYRQIL-QLFBSQMISA-N 2 0 258.409 2.821 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccccc3C[C@@H]2C)CC[NH2+]1 ZINC000414715984 381603323 /nfs/dbraw/zinc/60/33/23/381603323.db2.gz WJNBYOIOMYRQIL-ILXRZTDVSA-N 2 0 258.409 2.821 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC000414715655 381603376 /nfs/dbraw/zinc/60/33/76/381603376.db2.gz RIJQKILGBWGHLH-WCVJEAGWSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@H+](C1CC([NH3+])C1)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414764765 381604372 /nfs/dbraw/zinc/60/43/72/381604372.db2.gz ATEHSIDUDGOCFB-MNAZLIDISA-N 2 0 258.409 2.918 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000414801587 381606720 /nfs/dbraw/zinc/60/67/20/381606720.db2.gz LYWCIUICXXPZKW-YXJHDRRASA-N 2 0 288.435 2.660 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CCN(C)C(C)C)cc1F ZINC000185283580 381586692 /nfs/dbraw/zinc/58/66/92/381586692.db2.gz JETXMAGTULVGST-AWEZNQCLSA-N 2 0 296.430 2.943 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccncc1)CC2)C1CC1 ZINC000371329701 381591150 /nfs/dbraw/zinc/59/11/50/381591150.db2.gz MNIGSDOGHNVAOR-INIZCTEOSA-N 2 0 285.435 2.778 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000185308509 381592661 /nfs/dbraw/zinc/59/26/61/381592661.db2.gz JVSUCOVSPDHFHS-WQVCFCJDSA-N 2 0 296.842 2.620 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000371342009 381594806 /nfs/dbraw/zinc/59/48/06/381594806.db2.gz UAFPJMZAYPFHKV-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc3C2)CCCCC1 ZINC000414839231 381607534 /nfs/dbraw/zinc/60/75/34/381607534.db2.gz JEDAIQYOIOTXLK-MRXNPFEDSA-N 2 0 258.409 2.795 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000414854990 381609974 /nfs/dbraw/zinc/60/99/74/381609974.db2.gz MOGHZNTUOVBQPB-FRFSOERESA-N 2 0 288.435 2.530 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414925434 381614260 /nfs/dbraw/zinc/61/42/60/381614260.db2.gz LUGTXJLRDWBKMZ-KGLIPLIRSA-N 2 0 280.799 2.634 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414926179 381615088 /nfs/dbraw/zinc/61/50/88/381615088.db2.gz MVLZCQOWFKSHTD-CHWSQXEVSA-N 2 0 250.411 2.768 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000414938861 381628951 /nfs/dbraw/zinc/62/89/51/381628951.db2.gz DTAUEURIMUHGNC-SMDDNHRTSA-N 2 0 297.240 2.845 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414930877 381620702 /nfs/dbraw/zinc/62/07/02/381620702.db2.gz BHIOUASPQXSDNT-HLLBOEOZSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414943872 381634327 /nfs/dbraw/zinc/63/43/27/381634327.db2.gz OMBSAHZFAFWFHU-NVXWUHKLSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc2c(s1)CCC2 ZINC000355127661 381630078 /nfs/dbraw/zinc/63/00/78/381630078.db2.gz VURPGVYZPRKWMX-GRYCIOLGSA-N 2 0 279.453 2.765 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414940466 381631472 /nfs/dbraw/zinc/63/14/72/381631472.db2.gz BNDULUSKFHWFSO-ZFWWWQNUSA-N 2 0 262.397 2.704 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414954734 381647236 /nfs/dbraw/zinc/64/72/36/381647236.db2.gz KRUMNMHHPJBZFJ-PBHICJAKSA-N 2 0 276.424 2.809 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000414955000 381647928 /nfs/dbraw/zinc/64/79/28/381647928.db2.gz MHIYJMDAOQJZHP-KZNAEPCWSA-N 2 0 288.435 2.681 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000414957034 381648740 /nfs/dbraw/zinc/64/87/40/381648740.db2.gz PFQGBOPYGNZJRB-UHFFFAOYSA-N 2 0 290.451 2.916 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[NH2+]1 ZINC000414946995 381638652 /nfs/dbraw/zinc/63/86/52/381638652.db2.gz KFCPQUHKCQHXEU-KBXCAEBGSA-N 2 0 281.403 2.979 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414950740 381641467 /nfs/dbraw/zinc/64/14/67/381641467.db2.gz GLWHPVGWTIWSEU-GWCFXTLKSA-N 2 0 288.313 2.673 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)CC[NH2+]1 ZINC000414952869 381645281 /nfs/dbraw/zinc/64/52/81/381645281.db2.gz RDMAYHXWEZDZIT-OIUHTZQUSA-N 2 0 266.335 2.708 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414960788 381657053 /nfs/dbraw/zinc/65/70/53/381657053.db2.gz YKLLRAJITPSZQL-HOCLYGCPSA-N 2 0 276.424 2.952 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414962158 381658134 /nfs/dbraw/zinc/65/81/34/381658134.db2.gz VZDAKMFFKOJXDE-ZNMIVQPWSA-N 2 0 256.434 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414964576 381662257 /nfs/dbraw/zinc/66/22/57/381662257.db2.gz DUYGXKRJBWIALB-NHZBNJEXSA-N 2 0 262.372 2.817 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969786 381665778 /nfs/dbraw/zinc/66/57/78/381665778.db2.gz JOBBAYUIALLMND-OAHLLOKOSA-N 2 0 292.471 2.877 20 0 CFADRP Fc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1F ZINC000414972158 381668169 /nfs/dbraw/zinc/66/81/69/381668169.db2.gz MESJECGAPXUJSF-GFCCVEGCSA-N 2 0 254.324 2.587 20 0 CFADRP CC(C)c1cnc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414975480 381671555 /nfs/dbraw/zinc/67/15/55/381671555.db2.gz OPBQALKRTUYQIP-GFCCVEGCSA-N 2 0 267.442 2.888 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371656261 381673203 /nfs/dbraw/zinc/67/32/03/381673203.db2.gz QYXWNMIOWNQFRQ-SJORKVTESA-N 2 0 298.434 2.767 20 0 CFADRP Fc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c2ncccc12 ZINC000414978641 381673549 /nfs/dbraw/zinc/67/35/49/381673549.db2.gz UBPNNOWIITZCJL-AWEZNQCLSA-N 2 0 287.382 2.996 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414957633 381651308 /nfs/dbraw/zinc/65/13/08/381651308.db2.gz WEYPITWWCJBAFF-GUTXKFCHSA-N 2 0 264.388 2.877 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414959254 381654261 /nfs/dbraw/zinc/65/42/61/381654261.db2.gz XCYBXQYXBWSVTG-OFQRWUPVSA-N 2 0 276.424 2.746 20 0 CFADRP COCCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694660 381708577 /nfs/dbraw/zinc/70/85/77/381708577.db2.gz KEONSVKMWMAHHO-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1csc(N2CCC([NH2+][C@@H](C)CCCC[NH3+])CC2)n1 ZINC000415013806 381708797 /nfs/dbraw/zinc/70/87/97/381708797.db2.gz KZPZMWWNTLJRIV-LBPRGKRZSA-N 2 0 296.484 2.527 20 0 CFADRP C[C@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000415013548 381708805 /nfs/dbraw/zinc/70/88/05/381708805.db2.gz KWYGXHQZSBZFTK-STQMWFEESA-N 2 0 295.858 2.630 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371840392 381711007 /nfs/dbraw/zinc/71/10/07/381711007.db2.gz HPNIBICTTZRDGI-MSOLQXFVSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000415018242 381711024 /nfs/dbraw/zinc/71/10/24/381711024.db2.gz UDOMRPWBXIINOV-ZDUSSCGKSA-N 2 0 273.380 2.949 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000415017109 381711639 /nfs/dbraw/zinc/71/16/39/381711639.db2.gz DTKMKPHUYPGOGD-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415019627 381713995 /nfs/dbraw/zinc/71/39/95/381713995.db2.gz SCGMOKYOSLPRAB-TUAOUCFPSA-N 2 0 252.427 2.665 20 0 CFADRP CCc1noc(C2CCC([NH2+][C@@H](C)CCCC[NH3+])CC2)n1 ZINC000415019871 381715074 /nfs/dbraw/zinc/71/50/74/381715074.db2.gz WURDLGRILYSPRB-HSBZDZAISA-N 2 0 294.443 2.765 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000415020846 381715151 /nfs/dbraw/zinc/71/51/51/381715151.db2.gz XUWKYZBEMQNREX-ZIAGYGMSSA-N 2 0 292.423 2.844 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414981485 381675880 /nfs/dbraw/zinc/67/58/80/381675880.db2.gz XRMYCWFDWUIRQO-QGZVFWFLSA-N 2 0 288.435 2.532 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000414988322 381683833 /nfs/dbraw/zinc/68/38/33/381683833.db2.gz FRSSOBLCAKKBPP-ZYHUDNBSSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000414990714 381685326 /nfs/dbraw/zinc/68/53/26/381685326.db2.gz IZOYAJXYHXTWCB-ONGXEEELSA-N 2 0 272.314 2.711 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC000414991128 381685845 /nfs/dbraw/zinc/68/58/45/381685845.db2.gz JBTPAEBSUXCJIJ-MFKMUULPSA-N 2 0 254.324 2.572 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1C ZINC000414996159 381688892 /nfs/dbraw/zinc/68/88/92/381688892.db2.gz GFJDLHGVIXZQOQ-DZGCQCFKSA-N 2 0 262.397 2.611 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414996398 381689253 /nfs/dbraw/zinc/68/92/53/381689253.db2.gz XRWNNVFESSYZQT-AAEUAGOBSA-N 2 0 286.366 2.936 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415023795 381716731 /nfs/dbraw/zinc/71/67/31/381716731.db2.gz NQBPRRAMOXMLLU-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415022858 381716877 /nfs/dbraw/zinc/71/68/77/381716877.db2.gz LTJNLAXPSKCXOA-CQSZACIVSA-N 2 0 299.418 2.974 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002780 381694701 /nfs/dbraw/zinc/69/47/01/381694701.db2.gz MLGZBCPVJIVHOW-UPJWGTAASA-N 2 0 293.480 2.875 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415001807 381695026 /nfs/dbraw/zinc/69/50/26/381695026.db2.gz LPQGKXQZQNOPRY-XPKDYRNWSA-N 2 0 264.388 2.864 20 0 CFADRP C1CC1[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415003251 381696003 /nfs/dbraw/zinc/69/60/03/381696003.db2.gz FPDURYGBFGXEGR-VVLHAWIVSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415003637 381696782 /nfs/dbraw/zinc/69/67/82/381696782.db2.gz NKSNVJOXLPGLIA-NEPJUHHUSA-N 2 0 267.442 2.874 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415005075 381698332 /nfs/dbraw/zinc/69/83/32/381698332.db2.gz OTTLXNQDQDJWCA-JJAZEVLHSA-N 2 0 276.399 2.764 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000415008200 381702696 /nfs/dbraw/zinc/70/26/96/381702696.db2.gz CTNHOXMASVELHJ-PVAVHDDUSA-N 2 0 275.440 2.587 20 0 CFADRP C[C@H]([NH2+]CCOCC1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682056 381703563 /nfs/dbraw/zinc/70/35/63/381703563.db2.gz WNAUMDMGTKQLIU-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415010400 381703979 /nfs/dbraw/zinc/70/39/79/381703979.db2.gz GJTAOEDJYYJEKP-QWHCGFSZSA-N 2 0 295.402 2.650 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415010199 381705031 /nfs/dbraw/zinc/70/50/31/381705031.db2.gz OTGAJWFLTDVLNF-LSDHHAIUSA-N 2 0 282.790 2.957 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415010419 381705189 /nfs/dbraw/zinc/70/51/89/381705189.db2.gz PBYWEZVMPUQREW-XHDPSFHLSA-N 2 0 282.790 2.957 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415038127 381727201 /nfs/dbraw/zinc/72/72/01/381727201.db2.gz HJPFDWDKGRSLDK-WBVHZDCISA-N 2 0 258.409 2.959 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415040250 381727882 /nfs/dbraw/zinc/72/78/82/381727882.db2.gz OUIJVXDABDCNKJ-CMPLNLGQSA-N 2 0 270.323 2.505 20 0 CFADRP Cn1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000415039381 381728529 /nfs/dbraw/zinc/72/85/29/381728529.db2.gz NZYLHIHCBYHAGV-CZUORRHYSA-N 2 0 290.455 2.685 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415041020 381728825 /nfs/dbraw/zinc/72/88/25/381728825.db2.gz PJULCKDKEKFGQG-XUJVJEKNSA-N 2 0 250.361 2.646 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000415042022 381730084 /nfs/dbraw/zinc/73/00/84/381730084.db2.gz QKCVCHSONMZNEP-CFVMTHIKSA-N 2 0 294.414 2.730 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415042352 381730828 /nfs/dbraw/zinc/73/08/28/381730828.db2.gz QPOJNBMRGDVJRH-DZGCQCFKSA-N 2 0 262.397 2.692 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)[C@H](C)C1 ZINC000415043640 381731038 /nfs/dbraw/zinc/73/10/38/381731038.db2.gz WHHDASHZTKXCLC-RHSMWYFYSA-N 2 0 287.451 2.865 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000415042027 381731067 /nfs/dbraw/zinc/73/10/67/381731067.db2.gz QKCVCHSONMZNEP-NWANDNLSSA-N 2 0 294.414 2.730 20 0 CFADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415050722 381735858 /nfs/dbraw/zinc/73/58/58/381735858.db2.gz GEONTBIPWGEWNO-NVXWUHKLSA-N 2 0 276.424 2.762 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc2cccnc12 ZINC000415051396 381735888 /nfs/dbraw/zinc/73/58/88/381735888.db2.gz ZIXJFROCWMBLLF-XJKSGUPXSA-N 2 0 269.392 2.760 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053469 381737889 /nfs/dbraw/zinc/73/78/89/381737889.db2.gz JZMAJMPZDWXKJR-SJKOYZFVSA-N 2 0 292.471 2.672 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000348869796 381746897 /nfs/dbraw/zinc/74/68/97/381746897.db2.gz PBLPTJUQGZPNAW-PQAIKRCPSA-N 2 0 280.456 2.749 20 0 CFADRP C[C@@H]1[C@H](Nc2cc[nH+]c3ccccc23)CCC[N@@H+]1C ZINC000343488674 381747191 /nfs/dbraw/zinc/74/71/91/381747191.db2.gz ZBIBIHZKBXJDDH-TZMCWYRMSA-N 2 0 255.365 2.551 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000415067882 381753512 /nfs/dbraw/zinc/75/35/12/381753512.db2.gz LNCTZRABCQUOLQ-MAUKXSAKSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415025987 381718371 /nfs/dbraw/zinc/71/83/71/381718371.db2.gz SJAKWWMNSDKYRP-BFYDXBDKSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000415025767 381718515 /nfs/dbraw/zinc/71/85/15/381718515.db2.gz RORDPWWQJMRNCE-JTQLQIEISA-N 2 0 255.431 2.658 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415027242 381719439 /nfs/dbraw/zinc/71/94/39/381719439.db2.gz ASFASRVWMKCBAY-CWRNSKLLSA-N 2 0 276.424 2.733 20 0 CFADRP CSCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739240 381720100 /nfs/dbraw/zinc/72/01/00/381720100.db2.gz WPVIANRDXQUTBJ-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCC[NH3+])c1C ZINC000415028270 381721222 /nfs/dbraw/zinc/72/12/22/381721222.db2.gz YEWMQQWQLNCMJF-KGLIPLIRSA-N 2 0 291.439 2.738 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(Br)c1 ZINC000415028293 381721931 /nfs/dbraw/zinc/72/19/31/381721931.db2.gz YJJGAYMNNQDWGK-LLVKDONJSA-N 2 0 285.229 2.975 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415028522 381721980 /nfs/dbraw/zinc/72/19/80/381721980.db2.gz YZIDNXYXUKUSQT-VGWMRTNUSA-N 2 0 268.445 2.546 20 0 CFADRP CCCn1c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)nc2ccccc21 ZINC000415033634 381723475 /nfs/dbraw/zinc/72/34/75/381723475.db2.gz JBHXESXVFWYLRB-KGLIPLIRSA-N 2 0 286.423 2.663 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000415037459 381725930 /nfs/dbraw/zinc/72/59/30/381725930.db2.gz MKOQECIKCSJANI-QWHCGFSZSA-N 2 0 284.350 2.548 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000415037840 381727142 /nfs/dbraw/zinc/72/71/42/381727142.db2.gz MQCZUJXSFASRSS-HZPDHXFCSA-N 2 0 274.408 2.692 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCc2c1cccc2F ZINC000415100795 381781672 /nfs/dbraw/zinc/78/16/72/381781672.db2.gz ICYUAXSWFCGLQX-WQGACYEGSA-N 2 0 262.372 2.933 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000343538894 381783070 /nfs/dbraw/zinc/78/30/70/381783070.db2.gz VALAJNKPYZMLSZ-UHFFFAOYSA-N 2 0 278.444 2.546 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1C[NH3+] ZINC000415103190 381783651 /nfs/dbraw/zinc/78/36/51/381783651.db2.gz CTDFEVCMCDGDSO-BBRMVZONSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415105881 381785078 /nfs/dbraw/zinc/78/50/78/381785078.db2.gz GTDFMSMNENVXIL-VYDXJSESSA-N 2 0 275.440 2.913 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000415110066 381786882 /nfs/dbraw/zinc/78/68/82/381786882.db2.gz PYXXNVYVIDWIGD-VOMCLLRMSA-N 2 0 253.415 2.620 20 0 CFADRP C[NH2+]CCC[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000415117154 381789998 /nfs/dbraw/zinc/78/99/98/381789998.db2.gz BUIGCYFXIYSCRB-GFCCVEGCSA-N 2 0 254.805 2.985 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC000415120485 381792902 /nfs/dbraw/zinc/79/29/02/381792902.db2.gz GDMLDPYIXMREQY-TZMCWYRMSA-N 2 0 288.391 2.858 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355674277 381793930 /nfs/dbraw/zinc/79/39/30/381793930.db2.gz BWFQTCKCENGAIK-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc2cccnc12 ZINC000415124991 381794086 /nfs/dbraw/zinc/79/40/86/381794086.db2.gz KUJYPSLOZKKRGJ-CXAGYDPISA-N 2 0 283.419 2.960 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1C[NH3+] ZINC000415127995 381797276 /nfs/dbraw/zinc/79/72/76/381797276.db2.gz NQUXQQWKPNYTEC-YPMHNXCESA-N 2 0 276.355 2.989 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1C[NH3+] ZINC000415127986 381797605 /nfs/dbraw/zinc/79/76/05/381797605.db2.gz NQUXQQWKPNYTEC-AAEUAGOBSA-N 2 0 276.355 2.989 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1F ZINC000415074485 381760685 /nfs/dbraw/zinc/76/06/85/381760685.db2.gz AEYAVFGTHFSYNM-GXTWGEPZSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415078599 381762977 /nfs/dbraw/zinc/76/29/77/381762977.db2.gz GQVBXDQKFVNRHO-OLZOCXBDSA-N 2 0 252.427 2.516 20 0 CFADRP Clc1cc(Cl)cc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000415076586 381763948 /nfs/dbraw/zinc/76/39/48/381763948.db2.gz CYAHCMSYCVSYLU-UHFFFAOYSA-N 2 0 273.207 2.878 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC000415077099 381764043 /nfs/dbraw/zinc/76/40/43/381764043.db2.gz DUIAIQLLVRNQEI-ZDUSSCGKSA-N 2 0 283.213 2.538 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000415081435 381765505 /nfs/dbraw/zinc/76/55/05/381765505.db2.gz BWMSXEKJMWWJFF-NVXWUHKLSA-N 2 0 260.425 2.966 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000415079382 381765734 /nfs/dbraw/zinc/76/57/34/381765734.db2.gz JZYVHMLOOSSKQG-VNQPRFMTSA-N 2 0 258.409 2.837 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000415079289 381766343 /nfs/dbraw/zinc/76/63/43/381766343.db2.gz WSBLOTVMXCRTNL-IJLUTSLNSA-N 2 0 264.335 2.839 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000360147984 381766561 /nfs/dbraw/zinc/76/65/61/381766561.db2.gz IQFBWTWHIPVOJY-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415082575 381767193 /nfs/dbraw/zinc/76/71/93/381767193.db2.gz LZOHRESMXRAPRH-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]([NH3+])CC(C)C)CC1 ZINC000415082883 381767211 /nfs/dbraw/zinc/76/72/11/381767211.db2.gz MOCGRJWMDOQDGF-KRWDZBQOSA-N 3 0 283.504 2.708 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415083913 381769451 /nfs/dbraw/zinc/76/94/51/381769451.db2.gz OCLCNKOBRIGNET-GVDBMIGSSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CCc2ccccc2Cl)CC[NH2+]1 ZINC000415084316 381769977 /nfs/dbraw/zinc/76/99/77/381769977.db2.gz GUVSOBXDBMHVSU-OLZOCXBDSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000415085810 381771528 /nfs/dbraw/zinc/77/15/28/381771528.db2.gz RBQAANQLWWJNNL-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000415085946 381771887 /nfs/dbraw/zinc/77/18/87/381771887.db2.gz RIWMUTHTTASKNS-PMPSAXMXSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000415085029 381771950 /nfs/dbraw/zinc/77/19/50/381771950.db2.gz QAKMDGXJTKEZME-LVQVYYBASA-N 2 0 282.472 2.948 20 0 CFADRP CC[C@@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)Oc1ccccc1C ZINC000415087608 381773344 /nfs/dbraw/zinc/77/33/44/381773344.db2.gz WFCBDWGZWPZLTI-RDJZCZTQSA-N 2 0 276.424 2.742 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CC(C)(C)O)CC1 ZINC000372217405 381774014 /nfs/dbraw/zinc/77/40/14/381774014.db2.gz PFJVCXYWXHHKBE-QGZVFWFLSA-N 2 0 290.451 2.744 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCc1cccc(F)c1 ZINC000415088528 381775017 /nfs/dbraw/zinc/77/50/17/381775017.db2.gz MDVSWALFPZRWSF-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000415088677 381775958 /nfs/dbraw/zinc/77/59/58/381775958.db2.gz WQWHRZFVAICPSH-SOUVJXGZSA-N 2 0 270.461 2.791 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415092000 381776834 /nfs/dbraw/zinc/77/68/34/381776834.db2.gz RRCPMPJYUFFCLI-IHRRRGAJSA-N 2 0 262.397 2.734 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000415094992 381778826 /nfs/dbraw/zinc/77/88/26/381778826.db2.gz YLWWDCORRIMLHG-ZDUSSCGKSA-N 2 0 270.779 2.753 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000415094679 381778924 /nfs/dbraw/zinc/77/89/24/381778924.db2.gz XQLCFZNKEHKKLY-SCRDCRAPSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1nc(C2CCCCC2)no1 ZINC000415094017 381779347 /nfs/dbraw/zinc/77/93/47/381779347.db2.gz DEGZOSOKMIFJBO-GFCCVEGCSA-N 2 0 292.427 2.768 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000415094680 381779359 /nfs/dbraw/zinc/77/93/59/381779359.db2.gz XQLCFZNKEHKKLY-SGMGOOAPSA-N 2 0 280.387 2.873 20 0 CFADRP Cc1cc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000372464239 381820805 /nfs/dbraw/zinc/82/08/05/381820805.db2.gz PVGZGVLQWSPECI-MRXNPFEDSA-N 2 0 290.455 2.774 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000356028962 381821283 /nfs/dbraw/zinc/82/12/83/381821283.db2.gz MWPXQZZSTJTFSG-HZPDHXFCSA-N 2 0 297.487 2.534 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000361545130 381842118 /nfs/dbraw/zinc/84/21/18/381842118.db2.gz ZMOONDPLHDFZCT-NVXWUHKLSA-N 2 0 292.467 2.894 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000415139517 381803487 /nfs/dbraw/zinc/80/34/87/381803487.db2.gz XHAPCURBLOJKCJ-UHFFFAOYSA-N 2 0 269.392 2.790 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415137231 381803921 /nfs/dbraw/zinc/80/39/21/381803921.db2.gz YBTQDXZOCIKLJA-GXTWGEPZSA-N 2 0 264.388 2.805 20 0 CFADRP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)O1 ZINC000372410973 381807486 /nfs/dbraw/zinc/80/74/86/381807486.db2.gz ZARGPQNQDVIHPO-INIZCTEOSA-N 2 0 280.456 2.941 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccs1 ZINC000349061819 381810183 /nfs/dbraw/zinc/81/01/83/381810183.db2.gz KJDMJEHJSUAXNK-HNNXBMFYSA-N 2 0 295.496 2.596 20 0 CFADRP OCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000372419859 381812222 /nfs/dbraw/zinc/81/22/22/381812222.db2.gz FIZXXSAJZPKPPA-PBHICJAKSA-N 2 0 280.456 2.534 20 0 CFADRP CCC(CC)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000372834870 381877332 /nfs/dbraw/zinc/87/73/32/381877332.db2.gz CRPCNMSXILDULO-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000356875157 381877694 /nfs/dbraw/zinc/87/76/94/381877694.db2.gz YCHKQOBBERRPDQ-SMDDNHRTSA-N 2 0 284.350 2.718 20 0 CFADRP Cc1nn(-c2ccccc2)cc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000356889469 381887359 /nfs/dbraw/zinc/88/73/59/381887359.db2.gz FGFVHFJNLPXEOE-KDOFPFPSSA-N 2 0 298.434 2.611 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000349217292 381851050 /nfs/dbraw/zinc/85/10/50/381851050.db2.gz MKWGFTOBUBLUOS-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC2(C)C)CC1 ZINC000343644342 381866432 /nfs/dbraw/zinc/86/64/32/381866432.db2.gz RXHMLFHBAFDRRI-KRWDZBQOSA-N 2 0 287.451 2.717 20 0 CFADRP CC(C)=CCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372777093 381866866 /nfs/dbraw/zinc/86/68/66/381866866.db2.gz SFCXOQAUHYFBDN-BRWVUGGUSA-N 2 0 280.456 2.822 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@H]1CCCOC1)C(C)C ZINC000356866026 381872611 /nfs/dbraw/zinc/87/26/11/381872611.db2.gz LLLRDYHLMFZJDD-HOTGVXAUSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000356905797 381898125 /nfs/dbraw/zinc/89/81/25/381898125.db2.gz VNBZFQCQPOTSQX-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349368247 381911566 /nfs/dbraw/zinc/91/15/66/381911566.db2.gz NRPFOGSVVCWXEF-HRBLRVMOSA-N 2 0 293.499 2.665 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)C[C@@H](C)CC1CCOCC1 ZINC000349370841 381914539 /nfs/dbraw/zinc/91/45/39/381914539.db2.gz SODQRPHUMOJLNM-HNNXBMFYSA-N 2 0 270.461 2.713 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1C(C)(C)C1(C)C ZINC000349325661 381891738 /nfs/dbraw/zinc/89/17/38/381891738.db2.gz SKISTOJJLVPUIG-LSDHHAIUSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCOC1 ZINC000356895605 381892183 /nfs/dbraw/zinc/89/21/83/381892183.db2.gz KRGJCJIBOXUIJW-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000186611113 381963925 /nfs/dbraw/zinc/96/39/25/381963925.db2.gz PNFDYTDQXAFUHP-DLBZAZTESA-N 2 0 288.435 2.630 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000356975385 381937384 /nfs/dbraw/zinc/93/73/84/381937384.db2.gz AYHKUQOGNLQNBT-ZDUSSCGKSA-N 2 0 265.401 2.708 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCO1 ZINC000356978146 381939137 /nfs/dbraw/zinc/93/91/37/381939137.db2.gz DIIZRRDYVVEAEX-IXDOHACOSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000356989136 381945203 /nfs/dbraw/zinc/94/52/03/381945203.db2.gz LAGZWQVCVGQARS-NVXWUHKLSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000356992613 381949130 /nfs/dbraw/zinc/94/91/30/381949130.db2.gz NDZWFYWFFHHPEX-KZNAEPCWSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357087381 382003330 /nfs/dbraw/zinc/00/33/30/382003330.db2.gz NJJIFXOBGHFHII-GFCCVEGCSA-N 2 0 282.815 2.841 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000357086016 382003459 /nfs/dbraw/zinc/00/34/59/382003459.db2.gz RCAHQXVOSUBKFO-INIZCTEOSA-N 2 0 276.399 2.956 20 0 CFADRP Fc1ccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357093114 382004446 /nfs/dbraw/zinc/00/44/46/382004446.db2.gz WAFNPERGLJHQIK-OAHLLOKOSA-N 2 0 292.398 2.526 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCSC)[C@H](C)C1 ZINC000186770647 382008725 /nfs/dbraw/zinc/00/87/25/382008725.db2.gz ZWISPUIWWJGVAQ-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357039863 381982721 /nfs/dbraw/zinc/98/27/21/381982721.db2.gz AZPUKAXZAKFCLA-CRAIPNDOSA-N 2 0 294.483 2.761 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357042492 381984976 /nfs/dbraw/zinc/98/49/76/381984976.db2.gz DWGINOZYMHJEPK-MRXNPFEDSA-N 2 0 258.409 2.817 20 0 CFADRP c1c2ccccc2sc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357051411 381988781 /nfs/dbraw/zinc/98/87/81/381988781.db2.gz NDIDWHNFSYDSIL-KGLIPLIRSA-N 2 0 272.417 2.943 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc2c1CCC2 ZINC000357055397 381991526 /nfs/dbraw/zinc/99/15/26/381991526.db2.gz RAVJYGDKVUQKGT-LJQANCHMSA-N 2 0 284.447 2.997 20 0 CFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000417333893 382042968 /nfs/dbraw/zinc/04/29/68/382042968.db2.gz ZMTPWUCBWKLJMA-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343979028 382046864 /nfs/dbraw/zinc/04/68/64/382046864.db2.gz IPTDZZCXZDZKQI-GDBMZVCRSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1cc(C)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000299922750 382052745 /nfs/dbraw/zinc/05/27/45/382052745.db2.gz UJERLAFHTMEGDP-DOTOQJQBSA-N 2 0 258.409 2.796 20 0 CFADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000362419548 382060675 /nfs/dbraw/zinc/06/06/75/382060675.db2.gz SRVKEAUERCTCTO-SFHVURJKSA-N 2 0 293.499 2.526 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000362440273 382070129 /nfs/dbraw/zinc/07/01/29/382070129.db2.gz AOCHSTGLWJIZHS-GVDBMIGSSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000417318414 382038347 /nfs/dbraw/zinc/03/83/47/382038347.db2.gz YWRRFWVWNPYXRO-BBWFWOEESA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000293231240 382039774 /nfs/dbraw/zinc/03/97/74/382039774.db2.gz AVINMQFTZZULKE-XJKSGUPXSA-N 2 0 276.424 2.860 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ncccc2C)C[C@H]1C ZINC000357332148 382114645 /nfs/dbraw/zinc/11/46/45/382114645.db2.gz LFHVGEYHCHKAAH-HUUCEWRRSA-N 2 0 261.413 2.695 20 0 CFADRP Cc1ccc(C)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344028020 382075830 /nfs/dbraw/zinc/07/58/30/382075830.db2.gz LPYNUFKHEGCAMF-UHFFFAOYSA-N 2 0 291.483 2.619 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344027024 382076846 /nfs/dbraw/zinc/07/68/46/382076846.db2.gz KPUDOPDMKCUGNI-GOSISDBHSA-N 2 0 291.483 2.953 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C[NH+](C)C ZINC000293335975 382084191 /nfs/dbraw/zinc/08/41/91/382084191.db2.gz GHSBQQDSNUAUEM-IAQYHMDHSA-N 2 0 250.361 2.600 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187048594 382084631 /nfs/dbraw/zinc/08/46/31/382084631.db2.gz SHPXXAIZGWTWJK-UONOGXRCSA-N 2 0 270.486 2.840 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000293346552 382088601 /nfs/dbraw/zinc/08/86/01/382088601.db2.gz GSZLWABKUZYINX-XJKSGUPXSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000362480213 382092496 /nfs/dbraw/zinc/09/24/96/382092496.db2.gz RDGOUHWUUNMSFC-HZPDHXFCSA-N 2 0 290.455 2.744 20 0 CFADRP CC(C)COCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375597302 382092745 /nfs/dbraw/zinc/09/27/45/382092745.db2.gz KGVZIQCFBGMFDG-NVXWUHKLSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1F ZINC000417958433 382098284 /nfs/dbraw/zinc/09/82/84/382098284.db2.gz GGBGUYSCJZJYMW-AWEZNQCLSA-N 2 0 280.387 2.544 20 0 CFADRP CCOC1CC(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000352011299 382127688 /nfs/dbraw/zinc/12/76/88/382127688.db2.gz BBTBWMLAHWMWIW-JWMHWRSXSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000293516904 382154028 /nfs/dbraw/zinc/15/40/28/382154028.db2.gz AROSSIIFHZVXGP-HNNXBMFYSA-N 2 0 264.438 2.974 20 0 CFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000344151836 382162704 /nfs/dbraw/zinc/16/27/04/382162704.db2.gz HKHAYOJKLNUZMM-UHFFFAOYSA-N 2 0 289.467 2.536 20 0 CFADRP COCC[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302088934 382206660 /nfs/dbraw/zinc/20/66/60/382206660.db2.gz OLAXYDRQYJIIKK-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP CCCC[NH+]1CCC(NC(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000352177495 382208554 /nfs/dbraw/zinc/20/85/54/382208554.db2.gz CARLXNCYNGDFFD-INIZCTEOSA-N 2 0 297.487 2.534 20 0 CFADRP CCC(CC)[C@H](C[NH2+]C[C@@H](C)COC)[NH+]1CCCC1 ZINC000187651805 382237311 /nfs/dbraw/zinc/23/73/11/382237311.db2.gz HNRMZTNZJOVQPH-ZBFHGGJFSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)OC ZINC000362975762 382223657 /nfs/dbraw/zinc/22/36/57/382223657.db2.gz GVZQZQSSKXOKDF-KSYCFECVSA-N 2 0 262.397 2.782 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)OC ZINC000362975761 382224930 /nfs/dbraw/zinc/22/49/30/382224930.db2.gz GVZQZQSSKXOKDF-DDWPSWQVSA-N 2 0 262.397 2.782 20 0 CFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc12 ZINC000293788500 382280112 /nfs/dbraw/zinc/28/01/12/382280112.db2.gz UHYZXLMSVGODGZ-ZYHUDNBSSA-N 2 0 294.468 2.792 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000163873634 322379154 /nfs/dbraw/zinc/37/91/54/322379154.db2.gz NYTBLYWWAMSQKC-GVDBMIGSSA-N 2 0 283.504 2.817 20 0 CFADRP CO[C@@H](CC(C)C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000419269395 382265059 /nfs/dbraw/zinc/26/50/59/382265059.db2.gz BQIAJDAEZVVDGM-QXULXFAOSA-N 2 0 268.445 2.605 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377402930 382266107 /nfs/dbraw/zinc/26/61/07/382266107.db2.gz RZLXEUDATPRFPD-XYPWUTKMSA-N 2 0 292.398 2.762 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000680469167 542326897 /nfs/dbraw/zinc/32/68/97/542326897.db2.gz FWFIEGQTMCUICE-YPMHNXCESA-N 2 0 281.469 2.875 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000293891693 382324494 /nfs/dbraw/zinc/32/44/94/382324494.db2.gz VZGORNGJNSRRFU-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)=CC[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377710834 382327132 /nfs/dbraw/zinc/32/71/32/382327132.db2.gz XXVWSSXCFJRWIV-UHFFFAOYSA-N 2 0 259.397 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357805377 382331736 /nfs/dbraw/zinc/33/17/36/382331736.db2.gz XNOWIALQSGZJGM-IRXDYDNUSA-N 2 0 298.434 2.767 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420294195 382345993 /nfs/dbraw/zinc/34/59/93/382345993.db2.gz AVZWUGMJWIKBKV-BFYDXBDKSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CCO)CC3)CC2)C1 ZINC000188076961 382340076 /nfs/dbraw/zinc/34/00/76/382340076.db2.gz WBHLULDMRYPVQS-WBVHZDCISA-N 2 0 294.483 2.782 20 0 CFADRP C[C@@H]([NH3+])C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000420299801 382349400 /nfs/dbraw/zinc/34/94/00/382349400.db2.gz JGWHWUKIIPCFQU-CYBMUJFWSA-N 2 0 274.408 2.713 20 0 CFADRP c1ccc([C@H]2CSCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420299064 382349505 /nfs/dbraw/zinc/34/95/05/382349505.db2.gz GFBXUSBNOPJCSR-GDBMZVCRSA-N 2 0 276.449 2.776 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420297897 382349963 /nfs/dbraw/zinc/34/99/63/382349963.db2.gz GNCBFYYYOVUHDI-MWDXBVQZSA-N 2 0 294.483 2.902 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000420299189 382350261 /nfs/dbraw/zinc/35/02/61/382350261.db2.gz IFPMKUNYQHVHPW-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000420302212 382351575 /nfs/dbraw/zinc/35/15/75/382351575.db2.gz BLTIDWGNLNEOTD-NSHDSACASA-N 2 0 252.324 2.780 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000420300254 382352182 /nfs/dbraw/zinc/35/21/82/382352182.db2.gz JTLFBJNTBAKLSM-HNNXBMFYSA-N 2 0 274.408 2.614 20 0 CFADRP CSc1ccccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420304155 382354420 /nfs/dbraw/zinc/35/44/20/382354420.db2.gz DKVBLZPOUAPXFK-CQSZACIVSA-N 2 0 264.438 2.982 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420306623 382355176 /nfs/dbraw/zinc/35/51/76/382355176.db2.gz QOUKOCVMSPOUOU-NVXWUHKLSA-N 2 0 288.435 2.702 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000420308280 382358008 /nfs/dbraw/zinc/35/80/08/382358008.db2.gz CVLKVYSWOWYPOC-JKIFEVAISA-N 2 0 274.383 2.744 20 0 CFADRP c1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000420307483 382358640 /nfs/dbraw/zinc/35/86/40/382358640.db2.gz BSUYYWNZWVFLDQ-MAUKXSAKSA-N 2 0 281.403 2.760 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000420307939 382358657 /nfs/dbraw/zinc/35/86/57/382358657.db2.gz JGNPSLZWOCASER-LLVKDONJSA-N 2 0 265.426 2.581 20 0 CFADRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307538 382358794 /nfs/dbraw/zinc/35/87/94/382358794.db2.gz BUISCLSURRRINZ-PBHICJAKSA-N 2 0 298.434 2.710 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420312456 382359637 /nfs/dbraw/zinc/35/96/37/382359637.db2.gz IQSKKEAMAMZDKU-AWEZNQCLSA-N 2 0 250.411 2.579 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000420311861 382360353 /nfs/dbraw/zinc/36/03/53/382360353.db2.gz WEHKCWYYXOKQOT-OFQRWUPVSA-N 2 0 276.424 2.858 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000352488356 382360463 /nfs/dbraw/zinc/36/04/63/382360463.db2.gz PADNEMYIUKKAHP-ZDUSSCGKSA-N 2 0 284.350 2.991 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357878886 382360668 /nfs/dbraw/zinc/36/06/68/382360668.db2.gz PASFDLNCMRZTSZ-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000346436091 382361350 /nfs/dbraw/zinc/36/13/50/382361350.db2.gz LNFJLYDGZNESQP-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420320588 382367012 /nfs/dbraw/zinc/36/70/12/382367012.db2.gz QRXOCJZQXKRVGG-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP CC[C@@](C)([NH2+]CC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000420322272 382368587 /nfs/dbraw/zinc/36/85/87/382368587.db2.gz SKBUKMWCBGSBFW-TZMCWYRMSA-N 2 0 267.442 2.748 20 0 CFADRP CC[N@@H+](CCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420327793 382370750 /nfs/dbraw/zinc/37/07/50/382370750.db2.gz YSVOEJDLJMYZAM-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326634 382371280 /nfs/dbraw/zinc/37/12/80/382371280.db2.gz CNJNUFKAUDFDFC-CALCHBBNSA-N 2 0 288.435 2.614 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420329511 382372719 /nfs/dbraw/zinc/37/27/19/382372719.db2.gz OLKMNQLTZQJHNG-HUUCEWRRSA-N 2 0 292.398 2.526 20 0 CFADRP C[N@H+](CCSc1ccc(Cl)cc1)C1CC([NH3+])C1 ZINC000420334452 382373334 /nfs/dbraw/zinc/37/33/34/382373334.db2.gz OJIWQPJZZASMKX-UHFFFAOYSA-N 2 0 270.829 2.854 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420341033 382375471 /nfs/dbraw/zinc/37/54/71/382375471.db2.gz NMPRSZHGGIGSSU-LSDHHAIUSA-N 2 0 292.398 2.526 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341027 382375803 /nfs/dbraw/zinc/37/58/03/382375803.db2.gz NMPRSZHGGIGSSU-CABCVRRESA-N 2 0 292.398 2.526 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420344478 382377346 /nfs/dbraw/zinc/37/73/46/382377346.db2.gz TVJVDEUMVSTNHE-IAGOWNOFSA-N 2 0 288.435 2.695 20 0 CFADRP c1cncc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420352302 382378438 /nfs/dbraw/zinc/37/84/38/382378438.db2.gz ABDIDJQQCVYPBO-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP Cc1nc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cs1 ZINC000420356215 382380338 /nfs/dbraw/zinc/38/03/38/382380338.db2.gz GFNKUWYZVCEYOR-GXTWGEPZSA-N 2 0 265.426 2.588 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000420356902 382380561 /nfs/dbraw/zinc/38/05/61/382380561.db2.gz HDBGVNXXMZUSFY-GOSISDBHSA-N 2 0 287.451 2.953 20 0 CFADRP Cc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)nc1 ZINC000352534537 382383063 /nfs/dbraw/zinc/38/30/63/382383063.db2.gz HOKUYQLCPCUVLH-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP [NH3+]CCOCC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000420362561 382383997 /nfs/dbraw/zinc/38/39/97/382383997.db2.gz AVTROGQQRDNOGJ-UHFFFAOYSA-N 2 0 282.815 2.527 20 0 CFADRP c1cc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000420363056 382385694 /nfs/dbraw/zinc/38/56/94/382385694.db2.gz OVYKTQLYOWVJGX-CYBMUJFWSA-N 2 0 264.438 2.927 20 0 CFADRP COc1ccc(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420397709 382398279 /nfs/dbraw/zinc/39/82/79/382398279.db2.gz MWCKSWDJDHNVKU-WMZOPIPTSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420378446 382394399 /nfs/dbraw/zinc/39/43/99/382394399.db2.gz UJMXFQOFMXDWCC-RYUDHWBXSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000377799534 382347914 /nfs/dbraw/zinc/34/79/14/382347914.db2.gz VUHNBFVWCLYIFC-OWLYRPNTSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420297321 382348299 /nfs/dbraw/zinc/34/82/99/382348299.db2.gz YOMPEGHGHMOBDS-JSGCOSHPSA-N 2 0 252.427 2.740 20 0 CFADRP Cc1cncc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000365634147 382427002 /nfs/dbraw/zinc/42/70/02/382427002.db2.gz XADBCNOEZIMOGV-HNNXBMFYSA-N 2 0 270.380 2.503 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365633768 382427484 /nfs/dbraw/zinc/42/74/84/382427484.db2.gz WKXFYYNDLMHMTP-QGZVFWFLSA-N 2 0 299.418 2.946 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000188554299 382434798 /nfs/dbraw/zinc/43/47/98/382434798.db2.gz JVIUSJXCMZVBFQ-OWCLPIDISA-N 2 0 266.429 2.504 20 0 CFADRP CN(C[C@H]1CCC[N@@H+]1C)c1ccnc2ccsc21 ZINC000420639025 382439222 /nfs/dbraw/zinc/43/92/22/382439222.db2.gz QUZWEYWUUYZLSD-LLVKDONJSA-N 2 0 261.394 2.827 20 0 CFADRP COC(C)(C)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000346622543 382440595 /nfs/dbraw/zinc/44/05/95/382440595.db2.gz UDVQFTHWCVUVRJ-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000420401264 382399252 /nfs/dbraw/zinc/39/92/52/382399252.db2.gz JAXQWMKXQVIITG-SNVBAGLBSA-N 2 0 276.302 2.845 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420409179 382401734 /nfs/dbraw/zinc/40/17/34/382401734.db2.gz WRDRNICMOUBXRY-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420423128 382403053 /nfs/dbraw/zinc/40/30/53/382403053.db2.gz ZXJZXQQSSILCIQ-KBPBESRZSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)c1ccccc1 ZINC000420419761 382403655 /nfs/dbraw/zinc/40/36/55/382403655.db2.gz XQIZVCDNOYNGFE-NWDGAFQWSA-N 2 0 288.395 2.545 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@@H]1CCCO1)C(C)C ZINC000346547696 382407908 /nfs/dbraw/zinc/40/79/08/382407908.db2.gz CJUPUWGQMBBWLT-CABCVRRESA-N 2 0 256.434 2.652 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000346633481 382446941 /nfs/dbraw/zinc/44/69/41/382446941.db2.gz DWSFMFOZVGFHLR-RHSMWYFYSA-N 2 0 281.403 2.918 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000352609577 382416384 /nfs/dbraw/zinc/41/63/84/382416384.db2.gz UUWQMJAYZFWJEU-IKGGRYGDSA-N 2 0 280.456 2.752 20 0 CFADRP CCCCCOc1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000346638326 382448805 /nfs/dbraw/zinc/44/88/05/382448805.db2.gz IRFZLPCMMBSLAG-HNNXBMFYSA-N 2 0 262.397 2.789 20 0 CFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1cnc([C@H]2CCCO2)s1 ZINC000346641249 382450556 /nfs/dbraw/zinc/45/05/56/382450556.db2.gz BJYOFLZZHZMAIQ-ZIAGYGMSSA-N 2 0 297.468 2.800 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000346641820 382452159 /nfs/dbraw/zinc/45/21/59/382452159.db2.gz OTDMZUXOLMNPDR-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP CCCOc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OC ZINC000346646270 382453583 /nfs/dbraw/zinc/45/35/83/382453583.db2.gz AIJMLNLEWBUTNN-UHFFFAOYSA-N 2 0 294.439 2.901 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nccn3C)c2)CC[N@@H+]1C ZINC000378393485 382453818 /nfs/dbraw/zinc/45/38/18/382453818.db2.gz VYIOEYWXTYUOPU-PBHICJAKSA-N 3 0 298.434 2.659 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000352784503 382471514 /nfs/dbraw/zinc/47/15/14/382471514.db2.gz VOZTZHWWDSGHJR-GJZGRUSLSA-N 2 0 297.418 2.618 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCC ZINC000346650695 382455877 /nfs/dbraw/zinc/45/58/77/382455877.db2.gz PYCRATAGKYCBKP-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000346656933 382458450 /nfs/dbraw/zinc/45/84/50/382458450.db2.gz SNSZLVBQEQGFEJ-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346670094 382463968 /nfs/dbraw/zinc/46/39/68/382463968.db2.gz JNOAQWWHRLLDPL-BBRMVZONSA-N 2 0 298.434 2.658 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346673564 382465360 /nfs/dbraw/zinc/46/53/60/382465360.db2.gz ICJIWSCZQJQSMA-HNNXBMFYSA-N 3 0 292.452 2.739 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@H](C)C1 ZINC000358139694 382466825 /nfs/dbraw/zinc/46/68/25/382466825.db2.gz KYASYWQXGWOAIN-PMPSAXMXSA-N 2 0 282.472 2.759 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000346693740 382477916 /nfs/dbraw/zinc/47/79/16/382477916.db2.gz PHILCSLHFGJXPI-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000366281304 382496362 /nfs/dbraw/zinc/49/63/62/382496362.db2.gz JORKBWXEZULPFU-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000358167376 382481936 /nfs/dbraw/zinc/48/19/36/382481936.db2.gz KNAOIXKBYUWMQQ-HNNXBMFYSA-N 2 0 299.503 2.730 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000314118869 382525144 /nfs/dbraw/zinc/52/51/44/382525144.db2.gz AVPQSQLKYOKKAJ-INIZCTEOSA-N 2 0 292.471 2.760 20 0 CFADRP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000346814221 382526264 /nfs/dbraw/zinc/52/62/64/382526264.db2.gz ACDAWLJAERLQFL-JKSUJKDBSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000381997410 382527896 /nfs/dbraw/zinc/52/78/96/382527896.db2.gz XXMGSBQOWDMKNQ-UPJWGTAASA-N 2 0 260.372 2.742 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CN(C)C[C@H]2C)CCC1 ZINC000353158798 382503227 /nfs/dbraw/zinc/50/32/27/382503227.db2.gz ZJXARHCFASAGHY-GDBMZVCRSA-N 2 0 288.435 2.657 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)C[C@@H]12 ZINC000346818488 382528321 /nfs/dbraw/zinc/52/83/21/382528321.db2.gz GLWBHBKPLUYYEX-VCTAVGKDSA-N 2 0 274.339 2.741 20 0 CFADRP C[C@@H](C[NH2+]C1CC2(C1)CCCCC2)CN1CC[NH+](C)CC1 ZINC000421331281 382510756 /nfs/dbraw/zinc/51/07/56/382510756.db2.gz ZYUYPEPKCGVTHM-INIZCTEOSA-N 2 0 293.499 2.572 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000380189907 382510942 /nfs/dbraw/zinc/51/09/42/382510942.db2.gz CMQAKVMBQRBYTJ-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP C(C1CCCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380946812 382517255 /nfs/dbraw/zinc/51/72/55/382517255.db2.gz OFBCJEMGRGCCCK-IYBDPMFKSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)CC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000366480957 382517366 /nfs/dbraw/zinc/51/73/66/382517366.db2.gz FJOLCPSRHLEGOS-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP c1ccc(C[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346841898 382539554 /nfs/dbraw/zinc/53/95/54/382539554.db2.gz HQIMSXIRGKZWEG-IRXDYDNUSA-N 2 0 258.409 2.551 20 0 CFADRP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346845805 382543161 /nfs/dbraw/zinc/54/31/61/382543161.db2.gz BGPGADYVQHXFJP-FPMFFAJLSA-N 2 0 293.480 3.000 20 0 CFADRP CCc1nc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000328339052 382547428 /nfs/dbraw/zinc/54/74/28/382547428.db2.gz KVDDWCIFOGZONQ-VXGBXAGGSA-N 2 0 267.442 2.525 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CC2(SC)CCC2)CC1 ZINC000383928971 382549013 /nfs/dbraw/zinc/54/90/13/382549013.db2.gz BHTUQVVKCHLYED-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000346869190 382553150 /nfs/dbraw/zinc/55/31/50/382553150.db2.gz TZODCSRKCQTIRE-JONQDZQNSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@H](C)O1 ZINC000384683619 382555972 /nfs/dbraw/zinc/55/59/72/382555972.db2.gz FBWLBYSQJYZJCG-IJEWVQPXSA-N 2 0 268.445 2.797 20 0 CFADRP FCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367150880 382558852 /nfs/dbraw/zinc/55/88/52/382558852.db2.gz KGMBUXOEWFADQG-DZGCQCFKSA-N 2 0 254.393 2.685 20 0 CFADRP C[N@H+](CCCC1CCOCC1)CC[C@H]1CCCC[NH+]1C ZINC000346911127 382568224 /nfs/dbraw/zinc/56/82/24/382568224.db2.gz ANMLGKWBMYBXBO-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000385296138 382569528 /nfs/dbraw/zinc/56/95/28/382569528.db2.gz JGUYYWUFYMDPJJ-YIOUJQMASA-N 2 0 256.459 2.768 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)C1(C)C ZINC000367439822 382570520 /nfs/dbraw/zinc/57/05/20/382570520.db2.gz XINYYSGCOVESQK-ZIAGYGMSSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@H](C[NH2+]C[C@@]1(C)CCCS1)C[NH+]1CCCCC1 ZINC000385470490 382571494 /nfs/dbraw/zinc/57/14/94/382571494.db2.gz AIPHEHZBZYCEGE-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367602189 382577768 /nfs/dbraw/zinc/57/77/68/382577768.db2.gz RREHDNHWFUZOMR-OAGGEKHMSA-N 2 0 282.472 2.780 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000189254091 382574663 /nfs/dbraw/zinc/57/46/63/382574663.db2.gz UZIXYGADOCNOHJ-WUPYBSFASA-N 2 0 268.445 2.510 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000367620589 382577931 /nfs/dbraw/zinc/57/79/31/382577931.db2.gz YJNXZXKGWRMSRE-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000189249019 382575012 /nfs/dbraw/zinc/57/50/12/382575012.db2.gz IICVSSSEMJHCIO-PRLABOORSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)C[C@@H]12 ZINC000346823585 382530355 /nfs/dbraw/zinc/53/03/55/382530355.db2.gz FGUPOXLOCAZPTP-IPMKNSEASA-N 2 0 293.414 2.918 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353255227 382531739 /nfs/dbraw/zinc/53/17/39/382531739.db2.gz WPZSJCQURFTBRU-MELADBBJSA-N 2 0 259.397 2.849 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000346825824 382531845 /nfs/dbraw/zinc/53/18/45/382531845.db2.gz NNFNZORVJNTWAN-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCOC1 ZINC000366632206 382534032 /nfs/dbraw/zinc/53/40/32/382534032.db2.gz HMOAKFDYJYUQSR-ZMSDIMECSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(C)C ZINC000353638962 382589480 /nfs/dbraw/zinc/58/94/80/382589480.db2.gz CPRCRWDIMFIHLL-ZDUSSCGKSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000386900979 382593528 /nfs/dbraw/zinc/59/35/28/382593528.db2.gz OSDNXDPUBAAUGO-MRXNPFEDSA-N 2 0 289.467 2.758 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000386887109 382593992 /nfs/dbraw/zinc/59/39/92/382593992.db2.gz NBHOJICIYBUYIF-RBUKOAKNSA-N 2 0 295.430 2.853 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3cn[nH]c3)CC2)C1 ZINC000353651869 382595167 /nfs/dbraw/zinc/59/51/67/382595167.db2.gz UPPLKQRVIPVPGW-PBHICJAKSA-N 2 0 290.455 2.585 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000358396597 382599517 /nfs/dbraw/zinc/59/95/17/382599517.db2.gz IXIZWLZITBDXMJ-GRDNDAEWSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])COCc1ccccc1 ZINC000389954901 382617387 /nfs/dbraw/zinc/61/73/87/382617387.db2.gz VYQXCXXIDFJRET-DJIMGWMZSA-N 2 0 276.424 2.556 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189533267 382620648 /nfs/dbraw/zinc/62/06/48/382620648.db2.gz YNOGVZRFEFZNKE-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c[nH]nc3c2)C[C@@H]1C ZINC000353735287 382620649 /nfs/dbraw/zinc/62/06/49/382620649.db2.gz DETOISMHABSTHY-BBRMVZONSA-N 2 0 286.423 2.868 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367638664 382579342 /nfs/dbraw/zinc/57/93/42/382579342.db2.gz POMSNYUQIMKVJQ-KZNAEPCWSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000386074759 382582452 /nfs/dbraw/zinc/58/24/52/382582452.db2.gz FYWNJDWEZDNNMM-RRQGHBQHSA-N 2 0 258.409 2.664 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070170719 412967227 /nfs/dbraw/zinc/96/72/27/412967227.db2.gz FDDXXHNYBGZDCG-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP CO[C@H](C)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189961182 382647379 /nfs/dbraw/zinc/64/73/79/382647379.db2.gz NGFGFEXIOHMRHL-INYHJIAOSA-N 2 0 290.451 2.768 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336847536 382734866 /nfs/dbraw/zinc/73/48/66/382734866.db2.gz WSDFNOXIKYRYCQ-ZACQAIPSSA-N 2 0 296.499 2.980 20 0 CFADRP CC[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191403351 382699799 /nfs/dbraw/zinc/69/97/99/382699799.db2.gz QHGZIVSGMFVOGK-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cocn2)C1 ZINC000192286906 382706666 /nfs/dbraw/zinc/70/66/66/382706666.db2.gz CQEDGJJPBYPRGP-ZIAGYGMSSA-N 2 0 265.401 2.522 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000192827811 382712746 /nfs/dbraw/zinc/71/27/46/382712746.db2.gz GDCNZPKZFWKYLI-AWEZNQCLSA-N 2 0 286.423 2.723 20 0 CFADRP CCO[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000193429880 382719780 /nfs/dbraw/zinc/71/97/80/382719780.db2.gz UQABSVMDWPQPSW-KSZLIROESA-N 2 0 288.435 2.981 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000336834580 382727983 /nfs/dbraw/zinc/72/79/83/382727983.db2.gz IFJYRBNGWROAFJ-STQMWFEESA-N 2 0 280.412 2.872 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC2 ZINC000336836534 382729039 /nfs/dbraw/zinc/72/90/39/382729039.db2.gz WQYKUGNTZKWVFI-SUMWQHHRSA-N 2 0 276.424 2.860 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194027788 382733291 /nfs/dbraw/zinc/73/32/91/382733291.db2.gz LJJKHRIATZPHOC-BRWVUGGUSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)(C)[C@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336846063 382733662 /nfs/dbraw/zinc/73/36/62/382733662.db2.gz IYQYXHRFQYYVGG-QGZVFWFLSA-N 2 0 296.499 2.981 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000336846399 382734154 /nfs/dbraw/zinc/73/41/54/382734154.db2.gz OARCEOJUXYOVHH-DLBZAZTESA-N 2 0 296.499 2.837 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000220340377 382795677 /nfs/dbraw/zinc/79/56/77/382795677.db2.gz KXASHQQOSCNFEP-ZYHUDNBSSA-N 2 0 288.313 2.754 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000337197612 382775126 /nfs/dbraw/zinc/77/51/26/382775126.db2.gz YTKCHBWCCAPCFK-YLFCFFPRSA-N 2 0 282.472 2.852 20 0 CFADRP c1cc(N2CCC(C[NH2+]C[C@@H]3CCC=CO3)CC2)cc[nH+]1 ZINC000194540920 382747725 /nfs/dbraw/zinc/74/77/25/382747725.db2.gz KLEWGHHYUOSBIA-KRWDZBQOSA-N 2 0 287.407 2.580 20 0 CFADRP CCC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000219314066 382793158 /nfs/dbraw/zinc/79/31/58/382793158.db2.gz WJWFJOATOABRLZ-MRXNPFEDSA-N 2 0 264.413 2.696 20 0 CFADRP CCCc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219308353 382793337 /nfs/dbraw/zinc/79/33/37/382793337.db2.gz SYLZPTFEQJEGEP-HNNXBMFYSA-N 2 0 278.440 2.868 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)c2ccccc21 ZINC000219306267 382793369 /nfs/dbraw/zinc/79/33/69/382793369.db2.gz SANHDRBVXXGYOG-WMLDXEAASA-N 2 0 276.424 2.793 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228533265 382847574 /nfs/dbraw/zinc/84/75/74/382847574.db2.gz IBPRAFDLVZPHID-USXIJHARSA-N 2 0 274.408 2.645 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000220340937 382796041 /nfs/dbraw/zinc/79/60/41/382796041.db2.gz RFITVFYZAKIYKD-YPMHNXCESA-N 2 0 252.789 2.818 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@@H](O)c3ccccc3)CC[C@@H]21 ZINC000220994059 382796912 /nfs/dbraw/zinc/79/69/12/382796912.db2.gz IRJSMVSQNOCZON-FGTMMUONSA-N 2 0 288.435 2.526 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000575744671 382797760 /nfs/dbraw/zinc/79/77/60/382797760.db2.gz FFSQKAYBWUDOAF-SJORKVTESA-N 2 0 291.439 2.863 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+](CC2CC2)CC2CC2)CC1 ZINC000337322888 382801268 /nfs/dbraw/zinc/80/12/68/382801268.db2.gz RSHTUKJBSOFFSH-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000337331682 382803579 /nfs/dbraw/zinc/80/35/79/382803579.db2.gz HNOWJIIZVYRKFD-CQSZACIVSA-N 2 0 264.413 2.651 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)oc1C ZINC000337376697 382811899 /nfs/dbraw/zinc/81/18/99/382811899.db2.gz ASBRMWXDVLFERM-AWEZNQCLSA-N 2 0 293.455 2.573 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000337380997 382812418 /nfs/dbraw/zinc/81/24/18/382812418.db2.gz ASWOLTRFHRBCSJ-SMDDNHRTSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CC(OCc2ccccc2)C1 ZINC000576218915 382814670 /nfs/dbraw/zinc/81/46/70/382814670.db2.gz CECGCPIOUHWASK-ODIFPOPNSA-N 2 0 276.424 2.841 20 0 CFADRP CC[C@H](O)C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000576220552 382814923 /nfs/dbraw/zinc/81/49/23/382814923.db2.gz VYRMVWWOYTXQFH-NXHRZFHOSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)oc1C ZINC000337403940 382816027 /nfs/dbraw/zinc/81/60/27/382816027.db2.gz KZKLDCKVCGCOMD-CABCVRRESA-N 2 0 293.455 2.573 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000337417843 382817608 /nfs/dbraw/zinc/81/76/08/382817608.db2.gz DUGDJYHKOFNWHR-AWEZNQCLSA-N 2 0 288.439 2.911 20 0 CFADRP Cc1ncncc1[C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000576528184 382826175 /nfs/dbraw/zinc/82/61/75/382826175.db2.gz DFXQYQYPFXEDGO-UKRRQHHQSA-N 2 0 278.444 2.802 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000226332240 382826820 /nfs/dbraw/zinc/82/68/20/382826820.db2.gz BYUBYJFRJIWYIP-VNHYZAJKSA-N 2 0 262.397 2.815 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576566231 382827483 /nfs/dbraw/zinc/82/74/83/382827483.db2.gz QSIXCTRONDSJKG-HZSPNIEDSA-N 2 0 280.387 2.571 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000337480043 382828352 /nfs/dbraw/zinc/82/83/52/382828352.db2.gz QGNCRUIQBQIZES-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCO[C@H](C(C)C)C1)N1CCCC1 ZINC000227085273 382833088 /nfs/dbraw/zinc/83/30/88/382833088.db2.gz FFGAURNDANBQPQ-BBWFWOEESA-N 2 0 282.472 2.900 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000337516684 382835466 /nfs/dbraw/zinc/83/54/66/382835466.db2.gz MARQOFMUNFPDBY-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP COc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1OC ZINC000227329939 382835701 /nfs/dbraw/zinc/83/57/01/382835701.db2.gz GSPNUBYPLCRDHX-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000227328167 382835731 /nfs/dbraw/zinc/83/57/31/382835731.db2.gz VDZPLQRVSOQTHS-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227499536 382837200 /nfs/dbraw/zinc/83/72/00/382837200.db2.gz TUZQHBHTUSBGTM-AWEZNQCLSA-N 2 0 264.413 2.922 20 0 CFADRP CSc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414897710 532956471 /nfs/dbraw/zinc/95/64/71/532956471.db2.gz CGIZTOCJIHWORO-UHFFFAOYSA-N 2 0 264.438 2.888 20 0 CFADRP CN(CCC[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000576982933 382843422 /nfs/dbraw/zinc/84/34/22/382843422.db2.gz DGBAGBRIOSTVLK-UHFFFAOYSA-N 2 0 289.467 2.787 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000228195159 382845775 /nfs/dbraw/zinc/84/57/75/382845775.db2.gz MFSJICSBHNCAOI-ZBFHGGJFSA-N 2 0 276.424 2.643 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(C)(C)CC)C2)CC1 ZINC000441314019 382905976 /nfs/dbraw/zinc/90/59/76/382905976.db2.gz HDYNDLPVSXYXAL-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@H]1CCC[C@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441332333 382907710 /nfs/dbraw/zinc/90/77/10/382907710.db2.gz QGLOSUKVFRLLKL-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000577243523 382852926 /nfs/dbraw/zinc/85/29/26/382852926.db2.gz KFGNBYKFZPRRRA-BBWFWOEESA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCSc3ccccc3)C[C@@H]21 ZINC000230046093 382855154 /nfs/dbraw/zinc/85/51/54/382855154.db2.gz CLBCSULAENMCNP-VNQPRFMTSA-N 2 0 276.449 2.838 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000577327994 382855397 /nfs/dbraw/zinc/85/53/97/382855397.db2.gz PEFQSKSLQMTCPA-PMPSAXMXSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000577351794 382856285 /nfs/dbraw/zinc/85/62/85/382856285.db2.gz LREWMMIZVYZOAR-DYEKYZERSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(CC[NH3+])CC1 ZINC000577381396 382857319 /nfs/dbraw/zinc/85/73/19/382857319.db2.gz WSUMASJICWUFSF-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000230211967 382857537 /nfs/dbraw/zinc/85/75/37/382857537.db2.gz CGAXTFFWBJKAND-OWCLPIDISA-N 2 0 282.472 2.686 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441348694 382909258 /nfs/dbraw/zinc/90/92/58/382909258.db2.gz CTOJLFIFVVTHTL-IRXDYDNUSA-N 2 0 293.499 2.594 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000337746132 382860883 /nfs/dbraw/zinc/86/08/83/382860883.db2.gz GJOQFZREVANQAQ-CXAGYDPISA-N 2 0 294.414 2.684 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000577513425 382861569 /nfs/dbraw/zinc/86/15/69/382861569.db2.gz NQOYYVAUMUPJAV-KKUMJFAQSA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN(C)Cc1ccccc1)[C@H]1CCOC1 ZINC000577676407 382867323 /nfs/dbraw/zinc/86/73/23/382867323.db2.gz CVOPOOJUFVXUIJ-BPQIPLTHSA-N 2 0 290.451 2.912 20 0 CFADRP COc1cccc2c1ccnc2N[C@H](C)Cn1ccnc1 ZINC000235043533 382876656 /nfs/dbraw/zinc/87/66/56/382876656.db2.gz CJTUNIAYYXFMHA-GFCCVEGCSA-N 2 0 282.347 2.941 20 0 CFADRP CSC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000235122762 382877217 /nfs/dbraw/zinc/87/72/17/382877217.db2.gz OUULKRNCZSCPOP-UHFFFAOYSA-N 2 0 291.464 2.926 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000577986874 382879730 /nfs/dbraw/zinc/87/97/30/382879730.db2.gz RRMJCLPHJHNKBE-HZPDHXFCSA-N 2 0 292.471 2.715 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000235439451 382881033 /nfs/dbraw/zinc/88/10/33/382881033.db2.gz VXETWPBNQKPRRK-ZDUSSCGKSA-N 2 0 272.314 2.876 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000235902802 382889686 /nfs/dbraw/zinc/88/96/86/382889686.db2.gz OARKWVDIZMKQIV-ZDUSSCGKSA-N 2 0 250.361 2.695 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337995451 382894007 /nfs/dbraw/zinc/89/40/07/382894007.db2.gz MULFIVFCEWOCRR-IXDOHACOSA-N 2 0 299.478 2.520 20 0 CFADRP CCc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000578198340 382899313 /nfs/dbraw/zinc/89/93/13/382899313.db2.gz OYRDSVVVPDGEKJ-MRXNPFEDSA-N 2 0 290.451 2.840 20 0 CFADRP COCC(C)(C)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000494375928 382912230 /nfs/dbraw/zinc/91/22/30/382912230.db2.gz HDAQICIAMRGERV-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCSc1ccccc1 ZINC000422759946 532963787 /nfs/dbraw/zinc/96/37/87/532963787.db2.gz PPVGYRCVDICIQQ-OLZOCXBDSA-N 2 0 252.427 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cscn1 ZINC000578617349 382937136 /nfs/dbraw/zinc/93/71/36/382937136.db2.gz DYDXXWPCWKUEJB-SRVKXCTJSA-N 2 0 253.415 2.559 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000494920273 382941471 /nfs/dbraw/zinc/94/14/71/382941471.db2.gz GATWNFZGFZQOEX-DGADGQDISA-N 2 0 252.446 2.989 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000236990258 382941652 /nfs/dbraw/zinc/94/16/52/382941652.db2.gz ASYZNDKDCGPMMH-HOTGVXAUSA-N 2 0 297.487 2.522 20 0 CFADRP Cc1ccc2[nH]c(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nc2c1 ZINC000578726614 382947375 /nfs/dbraw/zinc/94/73/75/382947375.db2.gz JBFQPTDMERGSJH-QLFBSQMISA-N 2 0 298.434 2.882 20 0 CFADRP Cc1ccc2[nH]c(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nc2c1 ZINC000578726615 382947581 /nfs/dbraw/zinc/94/75/81/382947581.db2.gz JBFQPTDMERGSJH-RBSFLKMASA-N 2 0 298.434 2.882 20 0 CFADRP [NH3+][C@@H]1CCCCCC[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000442771040 382953162 /nfs/dbraw/zinc/95/31/62/382953162.db2.gz OYZGDIMAKCWLEA-VXGBXAGGSA-N 2 0 278.400 2.563 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1cccc2ccccc21 ZINC000442780520 382955544 /nfs/dbraw/zinc/95/55/44/382955544.db2.gz NVNDOUMNTSFDHR-GJZGRUSLSA-N 2 0 284.403 2.888 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1C ZINC000442784766 382956216 /nfs/dbraw/zinc/95/62/16/382956216.db2.gz WHMYUTPAQMTDPR-XJKSGUPXSA-N 2 0 288.435 2.984 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000578453460 382923403 /nfs/dbraw/zinc/92/34/03/382923403.db2.gz TVBWDZNZDOXQJC-VGWMRTNUSA-N 2 0 274.408 2.801 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422967129 532963376 /nfs/dbraw/zinc/96/33/76/532963376.db2.gz BEMWZNPIAPTVLG-OLZOCXBDSA-N 2 0 277.412 2.618 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1C[NH3+] ZINC000422561647 382973472 /nfs/dbraw/zinc/97/34/72/382973472.db2.gz MNIXREAWCPQXPQ-INMHGKMJSA-N 2 0 298.434 2.678 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCO)CC1CCCCC1 ZINC000338282820 382974062 /nfs/dbraw/zinc/97/40/62/382974062.db2.gz RAUKQSXBARGREB-UHFFFAOYSA-N 2 0 270.461 2.593 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422726709 382975617 /nfs/dbraw/zinc/97/56/17/382975617.db2.gz AEWCTRYMOVPGKB-KBAYOESNSA-N 2 0 289.467 2.657 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422736810 382975935 /nfs/dbraw/zinc/97/59/35/382975935.db2.gz GVKHAIBWXLWYDF-QZTJIDSGSA-N 3 0 289.467 2.888 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422707750 382976432 /nfs/dbraw/zinc/97/64/32/382976432.db2.gz WZZLEBYGPVCWKT-KZNAEPCWSA-N 2 0 293.499 2.761 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCCCCC2)CC[NH2+]CC1 ZINC000422727517 382976720 /nfs/dbraw/zinc/97/67/20/382976720.db2.gz CURORIVHTSAPCU-CQSZACIVSA-N 2 0 296.455 2.620 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCn2cnc3ccccc32)c2ccccc21 ZINC000422751960 382977658 /nfs/dbraw/zinc/97/76/58/382977658.db2.gz CAQLNRNFDNAWEB-WBVHZDCISA-N 2 0 292.386 2.771 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422752730 382977780 /nfs/dbraw/zinc/97/77/80/382977780.db2.gz FGZPUPPTMQGMNW-VVLHAWIVSA-N 2 0 295.515 2.721 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000423020698 383016562 /nfs/dbraw/zinc/01/65/62/383016562.db2.gz CRFPOGIUVLQQEK-WBVHZDCISA-N 2 0 292.471 2.989 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000423022088 383016671 /nfs/dbraw/zinc/01/66/71/383016671.db2.gz HCFKRKXRFQMXOQ-MJBXVCDLSA-N 2 0 294.439 2.598 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422811493 382980613 /nfs/dbraw/zinc/98/06/13/382980613.db2.gz PASVLTOKMTUGMB-QBPKDAKJSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000422802159 382980811 /nfs/dbraw/zinc/98/08/11/382980811.db2.gz BANJBQRJQQKGCL-DKIMLUQUSA-N 2 0 288.435 2.803 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000548773268 382981014 /nfs/dbraw/zinc/98/10/14/382981014.db2.gz ILGHHMQUXDNUQC-WBVHZDCISA-N 2 0 282.472 2.854 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422805926 382980915 /nfs/dbraw/zinc/98/09/15/382980915.db2.gz MSFINWADIRNBQQ-ZDUSSCGKSA-N 2 0 289.423 2.642 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422805871 382981043 /nfs/dbraw/zinc/98/10/43/382981043.db2.gz JXUACGVCJAHSAR-KYJSFNMBSA-N 2 0 288.435 2.660 20 0 CFADRP CCO[C@H](CC[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422809693 382981418 /nfs/dbraw/zinc/98/14/18/382981418.db2.gz MNSYMTCPOHSRFS-YMAMQOFZSA-N 2 0 256.434 2.545 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1(CC)CC ZINC000422835841 382982599 /nfs/dbraw/zinc/98/25/99/382982599.db2.gz JFQZZSYAQSQWTR-CVSAEHQPSA-N 2 0 268.445 2.830 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000422841859 382984112 /nfs/dbraw/zinc/98/41/12/382984112.db2.gz WXJPRCWGGPKTPY-QWHCGFSZSA-N 2 0 284.407 2.526 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865056 382984943 /nfs/dbraw/zinc/98/49/43/382984943.db2.gz WZOBNCOKVATYCA-BRWVUGGUSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422885019 382985067 /nfs/dbraw/zinc/98/50/67/382985067.db2.gz GHALBUYAUXIOSI-LZWOXQAQSA-N 2 0 274.408 2.673 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422882933 382985357 /nfs/dbraw/zinc/98/53/57/382985357.db2.gz PPRRJZQDXABITK-ZACQAIPSSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422882645 382985512 /nfs/dbraw/zinc/98/55/12/382985512.db2.gz PIWNVTLNBAXRCA-XDNAFOTISA-N 2 0 295.515 2.865 20 0 CFADRP C1CCC([N@@H+]2CC[C@@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)C1 ZINC000422863521 382986000 /nfs/dbraw/zinc/98/60/00/382986000.db2.gz RTTBXTHVUYULAI-LAVFITLUSA-N 2 0 291.483 2.514 20 0 CFADRP COCCC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422892669 382987191 /nfs/dbraw/zinc/98/71/91/382987191.db2.gz ZDLITNKOLXRTPJ-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422889265 382987606 /nfs/dbraw/zinc/98/76/06/382987606.db2.gz PEYHZCODVQBFRR-BMFZPTHFSA-N 2 0 274.408 2.673 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422961893 382989580 /nfs/dbraw/zinc/98/95/80/382989580.db2.gz DDOCPRFYHWZDQP-ARFHVFGLSA-N 2 0 291.439 2.524 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422972313 382991102 /nfs/dbraw/zinc/99/11/02/382991102.db2.gz KZMPAASFKOTQHW-LMNGEROHSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)COC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccco1 ZINC000422971496 382991377 /nfs/dbraw/zinc/99/13/77/382991377.db2.gz IUCRINYROYONKA-ZIAGYGMSSA-N 2 0 268.401 2.710 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422973382 382991449 /nfs/dbraw/zinc/99/14/49/382991449.db2.gz OGOPVKBEHBZODR-OAHLLOKOSA-N 2 0 288.391 2.790 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000579225398 382993578 /nfs/dbraw/zinc/99/35/78/382993578.db2.gz IQEUOPUSINCFPI-CVEARBPZSA-N 2 0 284.407 2.622 20 0 CFADRP CC[C@@H](NC[C@H](c1ccco1)[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422978567 382993913 /nfs/dbraw/zinc/99/39/13/382993913.db2.gz ZPRUXDQEAUBERM-OWCLPIDISA-N 2 0 293.455 2.783 20 0 CFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422982806 382995203 /nfs/dbraw/zinc/99/52/03/382995203.db2.gz RLOKDTVNSWLHCW-ABAIWWIYSA-N 2 0 266.816 2.859 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)[C@@H]1OC ZINC000422986788 382997570 /nfs/dbraw/zinc/99/75/70/382997570.db2.gz HJDDEKWOZYHVEE-VKSCHZKKSA-N 2 0 280.456 2.699 20 0 CFADRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000447575865 382998693 /nfs/dbraw/zinc/99/86/93/382998693.db2.gz VGUUNMMLHJWQAE-TWMKSMIVSA-N 2 0 294.483 2.900 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](C)[C@@H]1OC ZINC000422993210 383000425 /nfs/dbraw/zinc/00/04/25/383000425.db2.gz RBHSTNFXAVWSRV-TUVASFSCSA-N 2 0 270.461 2.933 20 0 CFADRP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422994099 383001589 /nfs/dbraw/zinc/00/15/89/383001589.db2.gz GUPDAEKWCUKOTH-ZTFGCOKTSA-N 2 0 288.435 2.883 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000422999045 383002253 /nfs/dbraw/zinc/00/22/53/383002253.db2.gz DNVVWETYWHVDPG-BFYDXBDKSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1ccccn1 ZINC000422999110 383002418 /nfs/dbraw/zinc/00/24/18/383002418.db2.gz RXSWZCWLONHURX-ZDUSSCGKSA-N 2 0 284.407 2.527 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1ccccn1 ZINC000422999860 383003940 /nfs/dbraw/zinc/00/39/40/383003940.db2.gz TWGGJOAPXQQHSH-NVXWUHKLSA-N 2 0 275.440 2.915 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423000973 383004138 /nfs/dbraw/zinc/00/41/38/383004138.db2.gz HFPXSNLUJMFOII-GDBMZVCRSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000423001921 383004592 /nfs/dbraw/zinc/00/45/92/383004592.db2.gz FHYHGPUYKJEFHZ-JKSUJKDBSA-N 2 0 269.477 2.745 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+]C2CCC(C[NH3+])CC2)o1 ZINC000423001567 383004685 /nfs/dbraw/zinc/00/46/85/383004685.db2.gz DZTNZXWBFNEFBD-PIMMBPRGSA-N 2 0 280.412 2.637 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000423004966 383007312 /nfs/dbraw/zinc/00/73/12/383007312.db2.gz LEOJHIPNCNZZAZ-BBRMVZONSA-N 2 0 299.418 2.851 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005802 383007403 /nfs/dbraw/zinc/00/74/03/383007403.db2.gz SVQCOOIVQISWQH-GXTWGEPZSA-N 2 0 282.815 2.697 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000245638574 383018367 /nfs/dbraw/zinc/01/83/67/383018367.db2.gz RUYXKNCJQFJBBO-OLZOCXBDSA-N 2 0 267.442 2.798 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423012203 383009804 /nfs/dbraw/zinc/00/98/04/383009804.db2.gz KHBQSCGRAQLYPX-QGTPRVQTSA-N 2 0 290.451 2.994 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423012146 383010254 /nfs/dbraw/zinc/01/02/54/383010254.db2.gz KAUAMYZFPGGFEW-MPGHIAIKSA-N 2 0 290.451 2.852 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCC1Cc2ccccc2C1 ZINC000423013272 383011069 /nfs/dbraw/zinc/01/10/69/383011069.db2.gz MMBONZHSMFLBNX-CQSZACIVSA-N 2 0 260.425 2.899 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423013840 383011239 /nfs/dbraw/zinc/01/12/39/383011239.db2.gz NMNJDMPSFDTDMA-DLBZAZTESA-N 2 0 258.409 2.509 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423027660 383018456 /nfs/dbraw/zinc/01/84/56/383018456.db2.gz DWMWKJLXUYSKGU-GDBMZVCRSA-N 2 0 279.403 2.877 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1(C)C ZINC000423013419 383011460 /nfs/dbraw/zinc/01/14/60/383011460.db2.gz FYZGNLXGPBPISJ-NFWSPEMXSA-N 2 0 274.408 2.780 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423014683 383012446 /nfs/dbraw/zinc/01/24/46/383012446.db2.gz PNELXSLTBHVODJ-RYUDHWBXSA-N 2 0 284.831 2.997 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000447819555 383012898 /nfs/dbraw/zinc/01/28/98/383012898.db2.gz AUTWKGNHSZSYMM-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1(C)C ZINC000423018061 383013748 /nfs/dbraw/zinc/01/37/48/383013748.db2.gz QASPXJFFERUYHS-QTDMDRALSA-N 2 0 291.439 2.559 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423017102 383014138 /nfs/dbraw/zinc/01/41/38/383014138.db2.gz OCAMAWHMAJTCRB-IKQBVMFBSA-N 2 0 292.398 2.774 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423019644 383015588 /nfs/dbraw/zinc/01/55/88/383015588.db2.gz WPEABYYTKNDERQ-CQSZACIVSA-N 2 0 260.425 2.899 20 0 CFADRP CC(C)CCOCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338259075 382966904 /nfs/dbraw/zinc/96/69/04/382966904.db2.gz WIMFGGWNRUBMII-UHFFFAOYSA-N 2 0 270.461 2.854 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000443200454 382967110 /nfs/dbraw/zinc/96/71/10/382967110.db2.gz TWYFXBKIVIJVOF-CQDKDKBSSA-N 2 0 278.371 2.579 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)n1 ZINC000423022879 383016191 /nfs/dbraw/zinc/01/61/91/383016191.db2.gz ILKGEEPZNKYEQX-OLZOCXBDSA-N 2 0 266.433 2.597 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000423046512 383028684 /nfs/dbraw/zinc/02/86/84/383028684.db2.gz FLEFMSOMGVTXIB-KGLIPLIRSA-N 2 0 269.392 2.964 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(COC)cc2)[C@@H](C)C1 ZINC000245727356 383029248 /nfs/dbraw/zinc/02/92/48/383029248.db2.gz IZADBVWQHAUNMX-MAUKXSAKSA-N 2 0 290.451 2.995 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000423054771 383032961 /nfs/dbraw/zinc/03/29/61/383032961.db2.gz VCLYIPGSSGVVMS-IUCAKERBSA-N 2 0 275.318 2.698 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423054723 383032997 /nfs/dbraw/zinc/03/29/97/383032997.db2.gz UUNQFCDQUBVVEN-VXGBXAGGSA-N 2 0 277.387 2.575 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423054946 383033246 /nfs/dbraw/zinc/03/32/46/383033246.db2.gz CHNFGKFIXFOJDM-AWEZNQCLSA-N 2 0 263.429 2.748 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSCc1ccccc1 ZINC000579607644 383034087 /nfs/dbraw/zinc/03/40/87/383034087.db2.gz LDIKCDOSXNZFSU-HIFRSBDPSA-N 2 0 264.438 2.731 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423057317 383034218 /nfs/dbraw/zinc/03/42/18/383034218.db2.gz HAFQZUSWQBTKIB-GJZGRUSLSA-N 2 0 275.440 2.619 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423060384 383035400 /nfs/dbraw/zinc/03/54/00/383035400.db2.gz HZVWYXPZZBFRIE-HUUCEWRRSA-N 2 0 291.826 2.844 20 0 CFADRP C[C@H]([NH2+]CCc1cn(C)c2cc(Cl)ccc12)C1C[NH2+]C1 ZINC000423059773 383035439 /nfs/dbraw/zinc/03/54/39/383035439.db2.gz GMIDPZISSSEIMD-NSHDSACASA-N 2 0 291.826 2.572 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423058846 383036039 /nfs/dbraw/zinc/03/60/39/383036039.db2.gz KJOSMXLAHBXACQ-GHMZBOCLSA-N 2 0 285.229 2.973 20 0 CFADRP C[C@]1(CN[C@H]2CCC[C@H]2[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000423062381 383036514 /nfs/dbraw/zinc/03/65/14/383036514.db2.gz MVKLFDDBZMUTHI-FGTMMUONSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423062831 383037380 /nfs/dbraw/zinc/03/73/80/383037380.db2.gz UWXJGERRMYFTKU-JLJPHGGASA-N 2 0 258.409 2.595 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000423066302 383037965 /nfs/dbraw/zinc/03/79/65/383037965.db2.gz DKXATHKILKGDLF-YGONEPDPSA-N 2 0 291.439 2.705 20 0 CFADRP CO[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(F)(F)F ZINC000423065402 383037980 /nfs/dbraw/zinc/03/79/80/383037980.db2.gz BGGHFIHRYPVUHA-JHJVBQTASA-N 2 0 288.313 2.688 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000423066544 383038252 /nfs/dbraw/zinc/03/82/52/383038252.db2.gz WZQSYSKSPJIJJL-NILFDRSVSA-N 2 0 278.371 2.756 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])cn(C)c2c1 ZINC000423064477 383038599 /nfs/dbraw/zinc/03/85/99/383038599.db2.gz ZFZYWMKIYZTVBB-WMLDXEAASA-N 2 0 285.435 2.746 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccn1 ZINC000423064397 383038833 /nfs/dbraw/zinc/03/88/33/383038833.db2.gz RKGORLWZFBKNCG-GXTWGEPZSA-N 2 0 279.453 2.671 20 0 CFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423063585 383038863 /nfs/dbraw/zinc/03/88/63/383038863.db2.gz PGRVZGNHDRLCJJ-GWCFXTLKSA-N 2 0 272.314 2.530 20 0 CFADRP FC(F)Oc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423067432 383040278 /nfs/dbraw/zinc/04/02/78/383040278.db2.gz HBNIOAYUVHJKLD-PBWFPOADSA-N 2 0 296.361 2.703 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423088151 383040874 /nfs/dbraw/zinc/04/08/74/383040874.db2.gz RAYQHHPUQGNJNA-KCXAZCMYSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423084615 383041097 /nfs/dbraw/zinc/04/10/97/383041097.db2.gz IDBBATBIJITWSI-CVEARBPZSA-N 2 0 294.483 2.830 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069845 383041169 /nfs/dbraw/zinc/04/11/69/383041169.db2.gz MLKSUFHHTNBZOC-OCCSQVGLSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC12CCCC2 ZINC000423077979 383041681 /nfs/dbraw/zinc/04/16/81/383041681.db2.gz UYJPQPHHHFUJDQ-CWRNSKLLSA-N 2 0 258.409 2.867 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423118915 383044177 /nfs/dbraw/zinc/04/41/77/383044177.db2.gz CQKQIQLYQWNVTI-GZBLMMOJSA-N 2 0 254.393 2.777 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000423147938 383044919 /nfs/dbraw/zinc/04/49/19/383044919.db2.gz UCTADJZVMWXWMS-AGIUHOORSA-N 2 0 260.372 2.790 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423143193 383045133 /nfs/dbraw/zinc/04/51/33/383045133.db2.gz CNVDLMTXHCLNTO-SGMGOOAPSA-N 2 0 262.422 2.593 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC(C)(F)F ZINC000423146484 383045483 /nfs/dbraw/zinc/04/54/83/383045483.db2.gz PNCSRXATGRXCHR-JSGCOSHPSA-N 2 0 270.367 2.970 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423159049 383046420 /nfs/dbraw/zinc/04/64/20/383046420.db2.gz OOSCBRFBBVJIEX-ISTRZQFTSA-N 2 0 272.392 2.630 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423152540 383046769 /nfs/dbraw/zinc/04/67/69/383046769.db2.gz LTBJNPJINBPCFG-HOCLYGCPSA-N 2 0 264.388 2.784 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000338775920 383047324 /nfs/dbraw/zinc/04/73/24/383047324.db2.gz RVPUJPNOLFHRBU-ARKGTOAJSA-N 2 0 268.445 2.510 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000423172672 383047599 /nfs/dbraw/zinc/04/75/99/383047599.db2.gz UQTSORZNEJIITQ-KPFVRQRISA-N 2 0 260.372 2.917 20 0 CFADRP COCC1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000423195936 383048469 /nfs/dbraw/zinc/04/84/69/383048469.db2.gz YNSKFNAOUJPFSA-KUQKPQIMSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000338779127 383048739 /nfs/dbraw/zinc/04/87/39/383048739.db2.gz SUAIFEXAAMTNNP-JQVOGXOBSA-N 2 0 282.472 2.898 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423187025 383049106 /nfs/dbraw/zinc/04/91/06/383049106.db2.gz KTLWYTGFYBPQFS-HIFRSBDPSA-N 2 0 266.816 2.990 20 0 CFADRP [NH3+]CCN[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423192847 383049155 /nfs/dbraw/zinc/04/91/55/383049155.db2.gz VBMAPTLVWPRFQD-GFCCVEGCSA-N 2 0 273.405 2.736 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423211264 383049895 /nfs/dbraw/zinc/04/98/95/383049895.db2.gz KRVMPOBBTZAJFR-NWDGAFQWSA-N 2 0 260.372 2.790 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423255804 383053033 /nfs/dbraw/zinc/05/30/33/383053033.db2.gz ATZJUHOHIYMABL-ZFWWWQNUSA-N 2 0 262.397 2.654 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423269591 383053952 /nfs/dbraw/zinc/05/39/52/383053952.db2.gz VWXOREWMPMKBEU-KBAYOESNSA-N 2 0 289.467 2.612 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423266487 383054258 /nfs/dbraw/zinc/05/42/58/383054258.db2.gz DANDGLTUFXSJPK-ZFWWWQNUSA-N 2 0 262.397 2.654 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C1(C)C ZINC000423393484 383079385 /nfs/dbraw/zinc/07/93/85/383079385.db2.gz MHVCIVDEHCRZCH-ZQDZILKHSA-N 2 0 268.445 2.558 20 0 CFADRP c1cncc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423272967 383055549 /nfs/dbraw/zinc/05/55/49/383055549.db2.gz KKGAHYAJZZQZDN-WMLDXEAASA-N 2 0 273.424 2.902 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423305062 383056848 /nfs/dbraw/zinc/05/68/48/383056848.db2.gz KBVHXVMYIMLZGG-BXKDBHETSA-N 2 0 287.329 2.662 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423298178 383056974 /nfs/dbraw/zinc/05/69/74/383056974.db2.gz NLJJFVWSRXIOKC-MFKMUULPSA-N 2 0 268.788 2.738 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423321325 383058014 /nfs/dbraw/zinc/05/80/14/383058014.db2.gz HCUOTRKQBXVNLP-LBPRGKRZSA-N 2 0 297.240 2.635 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423315784 383058362 /nfs/dbraw/zinc/05/83/62/383058362.db2.gz AJGRYCIKGWFRIY-ZBFHGGJFSA-N 2 0 276.424 2.742 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423354663 383061345 /nfs/dbraw/zinc/06/13/45/383061345.db2.gz DDZIMEAISOQHNZ-SJORKVTESA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423356154 383062462 /nfs/dbraw/zinc/06/24/62/383062462.db2.gz JESKDZOGMPELNA-SIXLDLHFSA-N 2 0 258.409 2.910 20 0 CFADRP COCCC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423360538 383063748 /nfs/dbraw/zinc/06/37/48/383063748.db2.gz WCUKJWXNCLJVQY-KRWDZBQOSA-N 2 0 292.398 2.803 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000423363714 383065141 /nfs/dbraw/zinc/06/51/41/383065141.db2.gz VBFDGTJBVUQFAR-GFCCVEGCSA-N 2 0 296.370 2.869 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000423372432 383068486 /nfs/dbraw/zinc/06/84/86/383068486.db2.gz GHZJPLABZVDFJZ-IHRRRGAJSA-N 2 0 262.397 2.795 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cn1 ZINC000579953453 383069321 /nfs/dbraw/zinc/06/93/21/383069321.db2.gz GNWDIRGZEKIXES-CYBMUJFWSA-N 2 0 272.396 2.774 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423374316 383069870 /nfs/dbraw/zinc/06/98/70/383069870.db2.gz JTAMKZUGSJOBMU-ZQDZILKHSA-N 2 0 268.445 2.700 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCC2 ZINC000423375140 383071355 /nfs/dbraw/zinc/07/13/55/383071355.db2.gz ITNCTLWDPCQYAS-SJORKVTESA-N 2 0 286.419 2.727 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423382120 383074355 /nfs/dbraw/zinc/07/43/55/383074355.db2.gz DGDPHAUYMQWVPF-GDIGMMSISA-N 2 0 297.446 2.769 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000423382614 383074615 /nfs/dbraw/zinc/07/46/15/383074615.db2.gz DLLOZCDGNUBGPG-UGFHNGPFSA-N 2 0 250.361 2.864 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2Cc3ccccc3C2)C1 ZINC000580028038 383075918 /nfs/dbraw/zinc/07/59/18/383075918.db2.gz KCPBNSSIALTMJO-HNNXBMFYSA-N 2 0 272.436 2.675 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423383954 383076141 /nfs/dbraw/zinc/07/61/41/383076141.db2.gz PMXYINPFAIGQAV-CZUORRHYSA-N 2 0 266.404 2.980 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cn1 ZINC000423384930 383076568 /nfs/dbraw/zinc/07/65/68/383076568.db2.gz LDNRHUZJVAOTNH-NSHDSACASA-N 2 0 271.339 2.675 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423394685 383080756 /nfs/dbraw/zinc/08/07/56/383080756.db2.gz MXYHRUBUHKDHNA-DCGLDWPTSA-N 2 0 271.408 2.555 20 0 CFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000579475348 383019852 /nfs/dbraw/zinc/01/98/52/383019852.db2.gz KSHOSFJMWJXLMC-FUHWJXTLSA-N 2 0 299.418 2.847 20 0 CFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000579475349 383019942 /nfs/dbraw/zinc/01/99/42/383019942.db2.gz KSHOSFJMWJXLMC-SJLPKXTDSA-N 2 0 299.418 2.847 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423031325 383021108 /nfs/dbraw/zinc/02/11/08/383021108.db2.gz UWUCUNSTXSYHPE-SGMGOOAPSA-N 2 0 281.831 2.634 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423034167 383022405 /nfs/dbraw/zinc/02/24/05/383022405.db2.gz PMLYBKWDGXYNOG-HZPDHXFCSA-N 2 0 279.403 2.877 20 0 CFADRP C[C@H](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000423034238 383022677 /nfs/dbraw/zinc/02/26/77/383022677.db2.gz PPISWNJMCHUPML-JLSDUUJJSA-N 2 0 287.451 2.985 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3[NH3+])CCC2)cc1 ZINC000423035203 383022715 /nfs/dbraw/zinc/02/27/15/383022715.db2.gz RCFIZUMOVLDRIC-CVEARBPZSA-N 2 0 274.408 2.586 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423034894 383022719 /nfs/dbraw/zinc/02/27/19/383022719.db2.gz QPWITODHRBJMRZ-ATLSCFEFSA-N 2 0 290.451 2.740 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCC2)cc1 ZINC000423037240 383023911 /nfs/dbraw/zinc/02/39/11/383023911.db2.gz VYBPRLLYTMGPLE-UONOGXRCSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000579495885 383023943 /nfs/dbraw/zinc/02/39/43/383023943.db2.gz PTISKTURKPTCFI-MWIANEHASA-N 2 0 270.420 2.895 20 0 CFADRP CC1=CC[N@H+](CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423038816 383025324 /nfs/dbraw/zinc/02/53/24/383025324.db2.gz PEWOUIRPRSRGHM-DLBZAZTESA-N 2 0 279.472 2.539 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000423038766 383025338 /nfs/dbraw/zinc/02/53/38/383025338.db2.gz OZABJLOFTJKNSM-KGYLQXTDSA-N 2 0 267.442 2.805 20 0 CFADRP CC1=CC[N@H+](CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423038819 383025369 /nfs/dbraw/zinc/02/53/69/383025369.db2.gz PEWOUIRPRSRGHM-SJORKVTESA-N 2 0 279.472 2.539 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423042315 383026611 /nfs/dbraw/zinc/02/66/11/383026611.db2.gz ZBORNAPHIAWYOT-CYBMUJFWSA-N 2 0 281.403 2.667 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423040720 383026669 /nfs/dbraw/zinc/02/66/69/383026669.db2.gz UXFNNZAOSKRPHK-KFWWJZLASA-N 2 0 254.418 2.585 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)CCC[NH3+] ZINC000423043862 383027596 /nfs/dbraw/zinc/02/75/96/383027596.db2.gz AEPVWYSBCNYBQX-DZGCQCFKSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423490238 383119617 /nfs/dbraw/zinc/11/96/17/383119617.db2.gz HNTDVTQNPARECN-LZWOXQAQSA-N 2 0 284.407 2.650 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC000247115831 383145533 /nfs/dbraw/zinc/14/55/33/383145533.db2.gz AGNCBUYGKTZQAQ-GOEBONIOSA-N 2 0 276.424 2.618 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423497760 383122439 /nfs/dbraw/zinc/12/24/39/383122439.db2.gz ZIMOHEIADJGDBP-DVOMOZLQSA-N 2 0 296.842 2.800 20 0 CFADRP CCC[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521189 383125458 /nfs/dbraw/zinc/12/54/58/383125458.db2.gz FZHWBRCJXKSCGE-WFWUXJIDSA-N 2 0 250.430 2.918 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423524560 383126037 /nfs/dbraw/zinc/12/60/37/383126037.db2.gz ZOHNDTGECHCDDK-BBWFWOEESA-N 2 0 260.425 2.971 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]1C ZINC000423534267 383126520 /nfs/dbraw/zinc/12/65/20/383126520.db2.gz ZUAHVIZCCMHGNO-RWTWZDQKSA-N 2 0 262.441 2.774 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423558433 383127007 /nfs/dbraw/zinc/12/70/07/383127007.db2.gz SNUWHZPZPYEMNP-ZTYXSZCMSA-N 2 0 250.430 2.789 20 0 CFADRP c1c2ccccc2[nH]c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070051 383138133 /nfs/dbraw/zinc/13/81/33/383138133.db2.gz VYKAIAUCGGZTRE-ZBFHGGJFSA-N 2 0 269.392 2.884 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000503945921 383140704 /nfs/dbraw/zinc/14/07/04/383140704.db2.gz IFOQPOORDVFZID-XJFOESAGSA-N 2 0 288.382 2.753 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423394792 383081122 /nfs/dbraw/zinc/08/11/22/383081122.db2.gz SJWIOLNCGCUJEV-GRYCIOLGSA-N 2 0 279.453 2.813 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423396608 383082118 /nfs/dbraw/zinc/08/21/18/383082118.db2.gz UATHOUHVJOJSHZ-FMKPAKJESA-N 2 0 261.413 2.695 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423401231 383083037 /nfs/dbraw/zinc/08/30/37/383083037.db2.gz XAVDVILRFKJBLU-HZSPNIEDSA-N 2 0 292.423 2.803 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000423399754 383083210 /nfs/dbraw/zinc/08/32/10/383083210.db2.gz UYHWNHJQRGATDB-DCAQKATOSA-N 2 0 254.324 2.885 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423402154 383083317 /nfs/dbraw/zinc/08/33/17/383083317.db2.gz WHFSHFWLFJNMEM-BMGDILEWSA-N 2 0 298.434 2.852 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423403529 383083892 /nfs/dbraw/zinc/08/38/92/383083892.db2.gz YGWOACQZWFCORN-FQLMCAECSA-N 2 0 276.424 2.917 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423403119 383084523 /nfs/dbraw/zinc/08/45/23/383084523.db2.gz YEYQSQAHLFPCDH-IRUJWGPZSA-N 2 0 265.426 2.559 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423405875 383085399 /nfs/dbraw/zinc/08/53/99/383085399.db2.gz UGGBAPLZKIKRNN-ZLIFDBKOSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C(C)C)cc1 ZINC000423407149 383085508 /nfs/dbraw/zinc/08/55/08/383085508.db2.gz VLUSLAVEQQWXFR-KBRIMQKVSA-N 2 0 276.424 2.980 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000423406675 383085782 /nfs/dbraw/zinc/08/57/82/383085782.db2.gz KZCPOBAALHOCKO-MRXNPFEDSA-N 2 0 290.451 2.970 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)o1 ZINC000423409416 383086355 /nfs/dbraw/zinc/08/63/55/383086355.db2.gz PZFBTLXNPPGGRP-CYBMUJFWSA-N 2 0 280.412 2.509 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423409975 383086391 /nfs/dbraw/zinc/08/63/91/383086391.db2.gz ZHAPEBWGJCYCAP-CSMYWGQOSA-N 2 0 274.408 2.660 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC000423407564 383086922 /nfs/dbraw/zinc/08/69/22/383086922.db2.gz MRUSHHOOSSTGQZ-GFCCVEGCSA-N 2 0 298.377 2.632 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423408841 383086937 /nfs/dbraw/zinc/08/69/37/383086937.db2.gz PENURDQGPSUFDS-CVEARBPZSA-N 2 0 282.472 2.807 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000247110749 383143543 /nfs/dbraw/zinc/14/35/43/383143543.db2.gz QMKQFUFGCBGZPY-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C1(CC)CC ZINC000423410288 383087521 /nfs/dbraw/zinc/08/75/21/383087521.db2.gz ZURLALBOVSKRGO-ZQDZILKHSA-N 2 0 268.445 2.558 20 0 CFADRP COCC1(C[NH2+][C@H](CCC(C)C)C2CC2)CC[NH2+]CC1 ZINC000423410426 383087958 /nfs/dbraw/zinc/08/79/58/383087958.db2.gz RRORARSUWZPQOH-MRXNPFEDSA-N 2 0 282.472 2.807 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)NCCC2 ZINC000423418231 383089756 /nfs/dbraw/zinc/08/97/56/383089756.db2.gz UHDUIRIXMFWBPB-HZPDHXFCSA-N 2 0 285.435 2.761 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc2ccccc21 ZINC000423424174 383091364 /nfs/dbraw/zinc/09/13/64/383091364.db2.gz FLPZEXKJEFOJRW-IAOMBJDPSA-N 2 0 252.361 2.708 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423429747 383092852 /nfs/dbraw/zinc/09/28/52/383092852.db2.gz KNNDNYGMDUUONE-KBPBESRZSA-N 2 0 263.429 2.921 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000423432971 383093693 /nfs/dbraw/zinc/09/36/93/383093693.db2.gz JPNDJDMNPIOCTG-UHOFOFEASA-N 2 0 276.428 2.503 20 0 CFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000552931194 383094148 /nfs/dbraw/zinc/09/41/48/383094148.db2.gz GJTHKXUGKAGBJN-IRXDYDNUSA-N 2 0 280.456 2.677 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246713902 383095882 /nfs/dbraw/zinc/09/58/82/383095882.db2.gz XCGWBCQOTLBCJJ-GUYCJALGSA-N 2 0 292.398 2.587 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438250 383095935 /nfs/dbraw/zinc/09/59/35/383095935.db2.gz MYBWBVPXOYRCCE-YESZJQIVSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000423442120 383096840 /nfs/dbraw/zinc/09/68/40/383096840.db2.gz UXGXOSRFGJGSQR-ZFWWWQNUSA-N 2 0 272.396 2.606 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000423441518 383096894 /nfs/dbraw/zinc/09/68/94/383096894.db2.gz UNOWOFRDZAQKPC-FZMZJTMJSA-N 2 0 280.387 2.929 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000423441668 383097512 /nfs/dbraw/zinc/09/75/12/383097512.db2.gz UQTABQLGBMETJJ-FZMZJTMJSA-N 2 0 293.386 2.706 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)o1 ZINC000423443043 383098008 /nfs/dbraw/zinc/09/80/08/383098008.db2.gz QCVIAQJLFURNLG-BYCMXARLSA-N 2 0 262.397 2.881 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423444118 383098207 /nfs/dbraw/zinc/09/82/07/383098207.db2.gz AVWNFHOWBOSCOM-GFCCVEGCSA-N 2 0 297.393 2.651 20 0 CFADRP CCC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCC1 ZINC000423446342 383098692 /nfs/dbraw/zinc/09/86/92/383098692.db2.gz YOWOAMVGFXOIIU-ARFHVFGLSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423445592 383098937 /nfs/dbraw/zinc/09/89/37/383098937.db2.gz MUUIYVSOSVFBQU-HBUWYVDXSA-N 2 0 287.451 2.863 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(OC)c1 ZINC000423448677 383099713 /nfs/dbraw/zinc/09/97/13/383099713.db2.gz FKKLHKVCERRRBC-SWLSCSKDSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000247152823 383147246 /nfs/dbraw/zinc/14/72/46/383147246.db2.gz ROSYTVJZQWVKPQ-BQFCYCMXSA-N 2 0 290.451 2.912 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423458709 383102960 /nfs/dbraw/zinc/10/29/60/383102960.db2.gz HBOXPRPMQSIQLG-APCWTUGXSA-N 2 0 262.397 2.513 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1CCF ZINC000423458004 383103041 /nfs/dbraw/zinc/10/30/41/383103041.db2.gz JKNUBANWQQXZOY-OZSWZGQBSA-N 2 0 254.393 2.620 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423461879 383104398 /nfs/dbraw/zinc/10/43/98/383104398.db2.gz CYBICGVVIMGMBU-LOWVWBTDSA-N 2 0 296.436 2.703 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cnn1C(C)C ZINC000423463918 383105502 /nfs/dbraw/zinc/10/55/02/383105502.db2.gz GAZNAJUBSZAIAS-CFVMTHIKSA-N 2 0 278.444 2.941 20 0 CFADRP Fc1cncc([C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423466393 383106418 /nfs/dbraw/zinc/10/64/18/383106418.db2.gz AMRFPZHTDKALMG-CVEARBPZSA-N 2 0 277.387 2.794 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cs1 ZINC000423467614 383107401 /nfs/dbraw/zinc/10/74/01/383107401.db2.gz BLUBLAZLRKNBCZ-ZYHUDNBSSA-N 2 0 253.415 2.634 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423473900 383109393 /nfs/dbraw/zinc/10/93/93/383109393.db2.gz GYKFNTJZOWMYEW-WCQYABFASA-N 2 0 296.436 2.718 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423476743 383112144 /nfs/dbraw/zinc/11/21/44/383112144.db2.gz RFFHRCWGZQDWNG-DJIMGWMZSA-N 2 0 275.440 2.900 20 0 CFADRP C(C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000423478779 383113043 /nfs/dbraw/zinc/11/30/43/383113043.db2.gz LMAQATDONSESCC-MWDXBVQZSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423482218 383113783 /nfs/dbraw/zinc/11/37/83/383113783.db2.gz OVRUMMJKUTWYRF-HOTGVXAUSA-N 2 0 261.413 2.901 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423485166 383115914 /nfs/dbraw/zinc/11/59/14/383115914.db2.gz AQCHIOXSQJCJHX-MJBXVCDLSA-N 2 0 262.397 2.782 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423485455 383115973 /nfs/dbraw/zinc/11/59/73/383115973.db2.gz RQBRKZLEHDWNAX-BZUAXINKSA-N 2 0 282.472 2.948 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000553814649 383117684 /nfs/dbraw/zinc/11/76/84/383117684.db2.gz ZMPVKVANUKYXSG-PCKAHOCUSA-N 2 0 280.456 2.656 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246903464 383118901 /nfs/dbraw/zinc/11/89/01/383118901.db2.gz HXJPLUSBMSKPHE-YOEHRIQHSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000423491370 383119133 /nfs/dbraw/zinc/11/91/33/383119133.db2.gz JJTIAYFDGNVILT-DFBGVHRSSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000517356041 383178241 /nfs/dbraw/zinc/17/82/41/383178241.db2.gz BLDFPCSHXZXCJL-UHOFOFEASA-N 2 0 295.858 2.530 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC(COC)CC2)C1 ZINC000449106871 383178246 /nfs/dbraw/zinc/17/82/46/383178246.db2.gz NEIHAAMHDZPQOA-HWOWSKLDSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000449108508 383178551 /nfs/dbraw/zinc/17/85/51/383178551.db2.gz RKFONYMQPUVKOS-GOSISDBHSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)O1 ZINC000449178332 383182351 /nfs/dbraw/zinc/18/23/51/383182351.db2.gz SHHLMTLFYIVENH-CPUCHLNUSA-N 2 0 280.456 2.939 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000517539779 383185030 /nfs/dbraw/zinc/18/50/30/383185030.db2.gz FTSBFJLOYVEPCM-AWEZNQCLSA-N 2 0 286.423 2.917 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000566564901 383188593 /nfs/dbraw/zinc/18/85/93/383188593.db2.gz ZFAQRBKRKFNLDX-CABCVRRESA-N 2 0 297.402 2.691 20 0 CFADRP Cc1cc(F)c(C[NH2+]CCCn2ccnc2)c(F)c1 ZINC000424143180 383188981 /nfs/dbraw/zinc/18/89/81/383188981.db2.gz ZIHNIDIZVZAGGB-UHFFFAOYSA-N 2 0 265.307 2.650 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000517746832 383192069 /nfs/dbraw/zinc/19/20/69/383192069.db2.gz CLYZEEKYUKBFJG-IRXDYDNUSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000566617174 383194427 /nfs/dbraw/zinc/19/44/27/383194427.db2.gz KXXKAEMDXIPFMZ-KRWDZBQOSA-N 2 0 287.451 2.740 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437901 383197513 /nfs/dbraw/zinc/19/75/13/383197513.db2.gz QOAVUIVBRRTROU-KURKYZTESA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC000339441736 383199677 /nfs/dbraw/zinc/19/96/77/383199677.db2.gz SDPGWQZAJWJCRX-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000518513979 383200464 /nfs/dbraw/zinc/20/04/64/383200464.db2.gz BBBBYQVACQAQNW-GFCCVEGCSA-N 2 0 289.423 2.567 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@@H](C2CCC2)C2CCCCC2)CC1 ZINC000424290676 383202970 /nfs/dbraw/zinc/20/29/70/383202970.db2.gz BJJYFBMEJMQVFW-QGZVFWFLSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000449067994 383159583 /nfs/dbraw/zinc/15/95/83/383159583.db2.gz PTAHZTXRDDNDPI-CQSZACIVSA-N 2 0 250.386 2.676 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000449078338 383163780 /nfs/dbraw/zinc/16/37/80/383163780.db2.gz LYOKVSCLVRNPDY-HNNXBMFYSA-N 2 0 291.439 2.759 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)C1 ZINC000567487380 383281052 /nfs/dbraw/zinc/28/10/52/383281052.db2.gz LKDIBZCGOFATRE-HUUCEWRRSA-N 2 0 282.815 2.716 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248154152 383215072 /nfs/dbraw/zinc/21/50/72/383215072.db2.gz RDAGQHJBXXQLEV-DLBZAZTESA-N 2 0 258.409 2.911 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248172180 383218281 /nfs/dbraw/zinc/21/82/81/383218281.db2.gz UZNXAVIXJWYFHN-NVXWUHKLSA-N 2 0 274.408 2.611 20 0 CFADRP C(COCC1CCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000519539115 383223002 /nfs/dbraw/zinc/22/30/02/383223002.db2.gz LAGUYNSWCHNJSW-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000519602249 383229451 /nfs/dbraw/zinc/22/94/51/383229451.db2.gz JUKRPPZKEKBRGA-QGZVFWFLSA-N 2 0 276.424 2.838 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000519865108 383243181 /nfs/dbraw/zinc/24/31/81/383243181.db2.gz CVDWXQGCYRHMGG-NVXWUHKLSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248460049 383246078 /nfs/dbraw/zinc/24/60/78/383246078.db2.gz WDLODSPYIMPVLZ-QAPCUYQASA-N 2 0 290.451 2.777 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000634732656 383333927 /nfs/dbraw/zinc/33/39/27/383333927.db2.gz LJKSVOGIFPFIMF-AWEZNQCLSA-N 2 0 268.351 2.833 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732732 383334881 /nfs/dbraw/zinc/33/48/81/383334881.db2.gz NHRIVNBEEHYKPW-OAHLLOKOSA-N 2 0 276.424 2.953 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2scnc2C2CC2)C1 ZINC000634733406 383335170 /nfs/dbraw/zinc/33/51/70/383335170.db2.gz DZPTVXNGYYCQRV-GFCCVEGCSA-N 2 0 279.453 2.888 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000634733088 383335494 /nfs/dbraw/zinc/33/54/94/383335494.db2.gz WZHKUYVNPFLVHO-ILXRZTDVSA-N 2 0 268.445 2.558 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000634733181 383335636 /nfs/dbraw/zinc/33/56/36/383335636.db2.gz YYJPLEQNJNCZRK-CQSZACIVSA-N 2 0 250.361 2.694 20 0 CFADRP CC(C)OC1CC([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000459350897 383286073 /nfs/dbraw/zinc/28/60/73/383286073.db2.gz YZYRDIIJZYJYNA-KLAILNCOSA-N 2 0 280.456 2.750 20 0 CFADRP CC(C)C[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000567588982 383289746 /nfs/dbraw/zinc/28/97/46/383289746.db2.gz RGBBVEJHOUNWPW-KURKYZTESA-N 2 0 272.436 2.968 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642440 383296411 /nfs/dbraw/zinc/29/64/11/383296411.db2.gz BDRMBCWTZDVSFQ-ZOWXZIJZSA-N 2 0 283.847 2.658 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000521464492 383297547 /nfs/dbraw/zinc/29/75/47/383297547.db2.gz ZBMWWTZXVSNVGR-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000567680490 383301553 /nfs/dbraw/zinc/30/15/53/383301553.db2.gz COVAXQDYPQPWCS-FICVDOATSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(C)(C)c1ccccc1 ZINC000567748560 383310662 /nfs/dbraw/zinc/31/06/62/383310662.db2.gz YFWGOFLKBZVQJR-IAGOWNOFSA-N 2 0 292.467 2.645 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000567752756 383311473 /nfs/dbraw/zinc/31/14/73/383311473.db2.gz WWCZIZOXDNQFOO-YESZJQIVSA-N 2 0 290.451 2.648 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000521993054 383319266 /nfs/dbraw/zinc/31/92/66/383319266.db2.gz WQYZXFZLRQXLSS-CVEARBPZSA-N 2 0 267.461 2.548 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc2ncccc12 ZINC000634688581 383319680 /nfs/dbraw/zinc/31/96/80/383319680.db2.gz WYIBTKLMPJRXOF-TZMCWYRMSA-N 2 0 255.365 2.546 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cs2)[C@H](C)C1 ZINC000449481267 383322426 /nfs/dbraw/zinc/32/24/26/383322426.db2.gz RVOIETFETBZMOS-OCCSQVGLSA-N 2 0 252.427 2.876 20 0 CFADRP C[C@@H](c1ccccc1F)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251587470 383390978 /nfs/dbraw/zinc/39/09/78/383390978.db2.gz XDBLGPKMMQSUNX-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340259391 383394499 /nfs/dbraw/zinc/39/44/99/383394499.db2.gz NENQHWALEISUTJ-QGZVFWFLSA-N 2 0 293.499 2.715 20 0 CFADRP FC(F)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000525981085 383415641 /nfs/dbraw/zinc/41/56/41/383415641.db2.gz KVQZRDWCFYHKNR-UHFFFAOYSA-N 2 0 298.377 2.826 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450451251 383415684 /nfs/dbraw/zinc/41/56/84/383415684.db2.gz HGJSYHUSWWTWHX-QGZVFWFLSA-N 2 0 280.456 2.920 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000568410346 383400409 /nfs/dbraw/zinc/40/04/09/383400409.db2.gz JPKCWECTRUZORX-BPQIPLTHSA-N 2 0 290.451 2.772 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000568415087 383401737 /nfs/dbraw/zinc/40/17/37/383401737.db2.gz GJHIFGOKYINZEI-QWHCGFSZSA-N 2 0 267.442 2.634 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000479445803 383406050 /nfs/dbraw/zinc/40/60/50/383406050.db2.gz VHEOXSSWXNSWIN-INIZCTEOSA-N 2 0 291.439 2.853 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000340288609 383406330 /nfs/dbraw/zinc/40/63/30/383406330.db2.gz UMFBUNOXQZUNMU-CYBMUJFWSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)c1[nH+]c(CN2CC[C@H]([NH+](C)C)C2)c2ccccn21 ZINC000568521827 383412038 /nfs/dbraw/zinc/41/20/38/383412038.db2.gz KZEVAYOJVPAJNG-AWEZNQCLSA-N 2 0 286.423 2.594 20 0 CFADRP C[C@@H]1CCC[C@@](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)([NH+](C)C)C1 ZINC000249613645 383353602 /nfs/dbraw/zinc/35/36/02/383353602.db2.gz KUFLBGYNFLMDPR-AJYUKVHDSA-N 2 0 293.499 2.712 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000249733487 383358634 /nfs/dbraw/zinc/35/86/34/383358634.db2.gz CEQJLBICVIDXJM-BFYDXBDKSA-N 2 0 276.424 2.692 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000469201342 383366381 /nfs/dbraw/zinc/36/63/81/383366381.db2.gz BTVVDZWMSMVOKT-KZNAEPCWSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@]1(C)CCCO1 ZINC000340171088 383367784 /nfs/dbraw/zinc/36/77/84/383367784.db2.gz HLJZINLALHRXOQ-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249987529 383367903 /nfs/dbraw/zinc/36/79/03/383367903.db2.gz NAJQITFYHZHIIB-ROUUACIJSA-N 2 0 289.467 2.616 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000249987609 383368011 /nfs/dbraw/zinc/36/80/11/383368011.db2.gz NBWCVQIKVJFNSH-RDJZCZTQSA-N 2 0 275.440 2.620 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000249989774 383368118 /nfs/dbraw/zinc/36/81/18/383368118.db2.gz KMMSWIKBDZTHAO-ARFHVFGLSA-N 2 0 262.372 2.836 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000249957822 383368309 /nfs/dbraw/zinc/36/83/09/383368309.db2.gz CLRHAOPXTAHJQA-RDJZCZTQSA-N 2 0 281.488 2.748 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000250466127 383376226 /nfs/dbraw/zinc/37/62/26/383376226.db2.gz BKAFBOWOOUZZPN-YHUYYLMFSA-N 2 0 278.440 2.551 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000250466126 383376325 /nfs/dbraw/zinc/37/63/25/383376325.db2.gz BKAFBOWOOUZZPN-XUWVNRHRSA-N 2 0 278.440 2.551 20 0 CFADRP c1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250531214 383376983 /nfs/dbraw/zinc/37/69/83/383376983.db2.gz FCWUILBQHODWKD-KZNAEPCWSA-N 2 0 288.435 2.966 20 0 CFADRP C1CC1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250844318 383381150 /nfs/dbraw/zinc/38/11/50/383381150.db2.gz MRTLKAUXROFMGF-RCCFBDPRSA-N 2 0 291.483 2.514 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC000568248680 383381560 /nfs/dbraw/zinc/38/15/60/383381560.db2.gz XVELOMZYFDJBMF-KBPBESRZSA-N 2 0 254.418 2.585 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(F)cc2)C1 ZINC000568248603 383381770 /nfs/dbraw/zinc/38/17/70/383381770.db2.gz VNRGJWBJLPWSOZ-LSDHHAIUSA-N 2 0 280.387 2.844 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000250874354 383382098 /nfs/dbraw/zinc/38/20/98/383382098.db2.gz HFJAXRFJWVSJLC-ZFWWWQNUSA-N 2 0 262.397 2.563 20 0 CFADRP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000568252756 383382195 /nfs/dbraw/zinc/38/21/95/383382195.db2.gz QAPBPVVVUUBWOE-BHUNQDJPSA-N 2 0 299.418 2.718 20 0 CFADRP C(COC1CCCC1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251074248 383384523 /nfs/dbraw/zinc/38/45/23/383384523.db2.gz GDOQWWKYOQYNTP-BBWFWOEESA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)C[NH+]1CCCCC1 ZINC000251153463 383385905 /nfs/dbraw/zinc/38/59/05/383385905.db2.gz BADCNERCOCKSNK-ZACQAIPSSA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468239 383423638 /nfs/dbraw/zinc/42/36/38/383423638.db2.gz NOFZUPNWXDFIOP-ZACQAIPSSA-N 2 0 281.488 2.664 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000340463528 383426904 /nfs/dbraw/zinc/42/69/04/383426904.db2.gz NCEVZHQSAZMDKO-AWEZNQCLSA-N 2 0 294.439 2.530 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1O ZINC000252674492 383427055 /nfs/dbraw/zinc/42/70/55/383427055.db2.gz RMDRGWHPZJXAMO-HOTGVXAUSA-N 2 0 274.408 2.725 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNCc2ccon2)[C@@H]1c1cccs1 ZINC000634963752 383427723 /nfs/dbraw/zinc/42/77/23/383427723.db2.gz CLYPCTCIYWDVHS-SWLSCSKDSA-N 2 0 291.420 2.909 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000252688197 383427610 /nfs/dbraw/zinc/42/76/10/383427610.db2.gz NNHFOCNNJFZNEY-IUODEOHRSA-N 2 0 258.365 2.863 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699965 383428755 /nfs/dbraw/zinc/42/87/55/383428755.db2.gz XEJRYLWUIIRLQO-TYNCELHUSA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000634967479 383431766 /nfs/dbraw/zinc/43/17/66/383431766.db2.gz PJOSUAYWLATFFK-UHFFFAOYSA-N 2 0 265.401 2.522 20 0 CFADRP C[C@H](C[N@H+](C)CCC[NH3+])c1cccc(Br)c1 ZINC000568749495 383431907 /nfs/dbraw/zinc/43/19/07/383431907.db2.gz OYVUWAHJVLUCLT-LLVKDONJSA-N 2 0 285.229 2.833 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252851466 383437172 /nfs/dbraw/zinc/43/71/72/383437172.db2.gz IBPRAFDLVZPHID-XIRDDKMYSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000568823802 383439147 /nfs/dbraw/zinc/43/91/47/383439147.db2.gz PNMKNXRFZLPGLU-HZSPNIEDSA-N 2 0 270.486 2.838 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ncc(C)cc2C)[C@@H](C)C1 ZINC000568862506 383443585 /nfs/dbraw/zinc/44/35/85/383443585.db2.gz PUGKXGAVOIPIQB-FUHWJXTLSA-N 2 0 289.467 2.903 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C[NH3+] ZINC000253181226 383447128 /nfs/dbraw/zinc/44/71/28/383447128.db2.gz FBQJJDQNKBUQPK-SUMWQHHRSA-N 2 0 258.409 2.981 20 0 CFADRP c1ccc(CC[C@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991377 383447214 /nfs/dbraw/zinc/44/72/14/383447214.db2.gz BQFZXXPKIHYZIV-LXPRWKDFSA-N 2 0 270.420 2.836 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000253192122 383448557 /nfs/dbraw/zinc/44/85/57/383448557.db2.gz MWCSSXRUTGXWGZ-WCQYABFASA-N 2 0 284.350 2.705 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634994212 383449432 /nfs/dbraw/zinc/44/94/32/383449432.db2.gz VVKYJBYZYNEKOX-SFHVURJKSA-N 2 0 296.418 2.502 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)C(C)(C)n1cncn1)C(C)C ZINC000340517538 383452283 /nfs/dbraw/zinc/45/22/83/383452283.db2.gz CNPLYRJFXMZIRY-HNNXBMFYSA-N 2 0 295.475 2.500 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634996343 383452361 /nfs/dbraw/zinc/45/23/61/383452361.db2.gz HLSNIQZXWUQBQZ-OLZOCXBDSA-N 2 0 284.407 2.546 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000634998655 383453744 /nfs/dbraw/zinc/45/37/44/383453744.db2.gz JDLDLSVHCAXERK-DLBZAZTESA-N 3 0 293.499 2.715 20 0 CFADRP CCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634998180 383453900 /nfs/dbraw/zinc/45/39/00/383453900.db2.gz BUSMMPHWWXGIJS-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)ccc2n1 ZINC000634999070 383455818 /nfs/dbraw/zinc/45/58/18/383455818.db2.gz PQAZIMRLKYRUFE-BLLLJJGKSA-N 2 0 269.392 2.570 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000635000799 383456903 /nfs/dbraw/zinc/45/69/03/383456903.db2.gz VWCBUERHYIZJBX-DZGCQCFKSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H](CC1CCCCC1)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001290 383457563 /nfs/dbraw/zinc/45/75/63/383457563.db2.gz NBLWXMIGGRUMKD-HNNXBMFYSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H](CC1CCCCC1)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001291 383457748 /nfs/dbraw/zinc/45/77/48/383457748.db2.gz NBLWXMIGGRUMKD-OAHLLOKOSA-N 2 0 282.472 2.639 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000635003447 383459213 /nfs/dbraw/zinc/45/92/13/383459213.db2.gz DCWIXSAZWGSNLS-VDHUWJSZSA-N 2 0 287.451 2.587 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635003793 383459276 /nfs/dbraw/zinc/45/92/76/383459276.db2.gz BINUNEHTXVECPT-OKZBNKHCSA-N 2 0 290.451 2.741 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1OC ZINC000635003931 383460010 /nfs/dbraw/zinc/46/00/10/383460010.db2.gz FZJPMLICFMIUQX-TUVASFSCSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC12CC2 ZINC000635005249 383460309 /nfs/dbraw/zinc/46/03/09/383460309.db2.gz SWVMARPDFFDYOA-CWRNSKLLSA-N 2 0 258.409 2.867 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635005239 383460473 /nfs/dbraw/zinc/46/04/73/383460473.db2.gz IHVXAOFROGQAEY-XNRPHZJLSA-N 2 0 289.423 2.813 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000635004109 383461160 /nfs/dbraw/zinc/46/11/60/383461160.db2.gz GYEZMHWKZPAVGH-FVQBIDKESA-N 2 0 284.407 2.606 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000635005778 383461806 /nfs/dbraw/zinc/46/18/06/383461806.db2.gz KHQFVRKTAAGGMW-HFBAOOFYSA-N 2 0 278.827 2.914 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005280 383462036 /nfs/dbraw/zinc/46/20/36/383462036.db2.gz IUKCAQSKDBDXBO-XNRPHZJLSA-N 2 0 264.388 2.864 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccsc1C(F)(F)F ZINC000635005822 383462121 /nfs/dbraw/zinc/46/21/21/383462121.db2.gz WSKSSBOJWSGZAA-SNVBAGLBSA-N 2 0 296.358 2.610 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)[C@H]1CC1(C)C ZINC000635006314 383463010 /nfs/dbraw/zinc/46/30/10/383463010.db2.gz LMKXZAOVCCKGSC-CWRNSKLLSA-N 2 0 260.425 2.971 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000635006526 383463484 /nfs/dbraw/zinc/46/34/84/383463484.db2.gz RWWMAEUHRBNPAF-XJKCOSOUSA-N 2 0 274.408 2.877 20 0 CFADRP COC(=O)C(C)(C)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000527218368 383463554 /nfs/dbraw/zinc/46/35/54/383463554.db2.gz MJLZGPFMLVVAJH-UHFFFAOYSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000527223226 383464245 /nfs/dbraw/zinc/46/42/45/383464245.db2.gz XWKJBCAIHLLICU-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cn1 ZINC000635007773 383464520 /nfs/dbraw/zinc/46/45/20/383464520.db2.gz XUAGTHYJCDENLW-UBHSHLNASA-N 2 0 265.376 2.779 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccoc1 ZINC000635009464 383465761 /nfs/dbraw/zinc/46/57/61/383465761.db2.gz VMYGGSWRUYPVNJ-CJNGLKHVSA-N 2 0 258.365 2.890 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000635009556 383465848 /nfs/dbraw/zinc/46/58/48/383465848.db2.gz VZTGQTCZQZMXLB-UNEWFSDZSA-N 2 0 273.424 2.706 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635010090 383466509 /nfs/dbraw/zinc/46/65/09/383466509.db2.gz YEPMDJDKDQJDIZ-QAPCUYQASA-N 2 0 290.451 2.741 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000635012672 383468513 /nfs/dbraw/zinc/46/85/13/383468513.db2.gz VDWXSXPHUPMKTK-LSDHHAIUSA-N 2 0 280.456 2.704 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000635011660 383468601 /nfs/dbraw/zinc/46/86/01/383468601.db2.gz OOPINXMLUWPKMU-CABCVRRESA-N 2 0 273.424 2.827 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000635012749 383468642 /nfs/dbraw/zinc/46/86/42/383468642.db2.gz NYLZMENSXIPKDV-UHFFFAOYSA-N 2 0 257.381 2.775 20 0 CFADRP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCCC23CCC3)[nH+]1 ZINC000635013349 383469029 /nfs/dbraw/zinc/46/90/29/383469029.db2.gz YBDWPOMQGXISNY-OAHLLOKOSA-N 2 0 286.423 2.626 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635012858 383469145 /nfs/dbraw/zinc/46/91/45/383469145.db2.gz AGTPDBUASVUXGT-OFQRWUPVSA-N 2 0 296.842 2.523 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)C1 ZINC000635013110 383469752 /nfs/dbraw/zinc/46/97/52/383469752.db2.gz QOZRIMPOUZAJTI-KFWWJZLASA-N 2 0 266.429 2.585 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000635013730 383470850 /nfs/dbraw/zinc/47/08/50/383470850.db2.gz VMOUTRHOQSGNAG-AEGPPILISA-N 2 0 269.392 2.646 20 0 CFADRP CSC1(C[NH+]2CCC([NH2+]C(C)C)CC2)CCC1 ZINC000340563252 383472679 /nfs/dbraw/zinc/47/26/79/383472679.db2.gz SIAGILNVDAWRKF-UHFFFAOYSA-N 2 0 256.459 2.735 20 0 CFADRP CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635024288 383474935 /nfs/dbraw/zinc/47/49/35/383474935.db2.gz VXCXJPOUNWUYIF-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)C1CC[NH+](C)CC1 ZINC000635024330 383475082 /nfs/dbraw/zinc/47/50/82/383475082.db2.gz WLWUKCITQFNHNB-GOEBONIOSA-N 2 0 287.451 2.906 20 0 CFADRP FC1(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000525991200 383418142 /nfs/dbraw/zinc/41/81/42/383418142.db2.gz KEMHRIDYWURETQ-UHFFFAOYSA-N 2 0 262.372 2.874 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450461734 383420279 /nfs/dbraw/zinc/42/02/79/383420279.db2.gz XDPAVHIWVXBFFZ-ZWKOTPCHSA-N 2 0 295.515 2.913 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc[nH]c(=O)c1 ZINC000340442661 383420965 /nfs/dbraw/zinc/42/09/65/383420965.db2.gz BGCIUNAOGOHAIA-LBPRGKRZSA-N 2 0 277.412 2.701 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000261705735 383544921 /nfs/dbraw/zinc/54/49/21/383544921.db2.gz DAWUTHNCBYVEFM-UONOGXRCSA-N 2 0 289.423 2.737 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261724104 383548416 /nfs/dbraw/zinc/54/84/16/383548416.db2.gz GJHKROQNIAZTAR-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1C ZINC000488073105 383493558 /nfs/dbraw/zinc/49/35/58/383493558.db2.gz LJDZZAQIMSFIHZ-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP Clc1csc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257703320 383498271 /nfs/dbraw/zinc/49/82/71/383498271.db2.gz QQHWYWVQNGXQLA-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000259319225 383501373 /nfs/dbraw/zinc/50/13/73/383501373.db2.gz QSEBVJOLSOZYQU-KRWDZBQOSA-N 2 0 258.409 2.817 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261548754 383510524 /nfs/dbraw/zinc/51/05/24/383510524.db2.gz DFKBJXMECGZEEM-QWHCGFSZSA-N 2 0 250.361 2.693 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261549594 383510589 /nfs/dbraw/zinc/51/05/89/383510589.db2.gz KRJXUDPFLSKFNT-MJBXVCDLSA-N 2 0 256.459 2.638 20 0 CFADRP CC(C)[C@H]1CN(C[C@H]2CCCC[N@@H+]2C(C)C)CC[NH+]1C ZINC000450843221 383517715 /nfs/dbraw/zinc/51/77/15/383517715.db2.gz JYGLDWRCDVWXNL-IAGOWNOFSA-N 2 0 281.488 2.521 20 0 CFADRP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261594391 383523651 /nfs/dbraw/zinc/52/36/51/383523651.db2.gz NOEXHDKYKUFDBY-QGZVFWFLSA-N 2 0 256.393 2.749 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261609109 383527847 /nfs/dbraw/zinc/52/78/47/383527847.db2.gz DOQGJXBRENTYPQ-INIZCTEOSA-N 2 0 289.354 2.651 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1CC(C)(C)C1 ZINC000528423551 383530150 /nfs/dbraw/zinc/53/01/50/383530150.db2.gz VTOFFZLYUNUKDI-BZUAXINKSA-N 2 0 280.456 2.606 20 0 CFADRP CC(C)N1CCCC[C@H]1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000450877702 383531561 /nfs/dbraw/zinc/53/15/61/383531561.db2.gz HPZGHLJKOPJKFF-BBWFWOEESA-N 2 0 282.472 2.875 20 0 CFADRP Cc1ccc2nc(CN[C@@H]3CC[N@@H+](C4CCCC4)C3)cn2c1 ZINC000341018182 383532281 /nfs/dbraw/zinc/53/22/81/383532281.db2.gz TVVJCHIHWRKEAT-OAHLLOKOSA-N 2 0 298.434 2.749 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000569744832 383535185 /nfs/dbraw/zinc/53/51/85/383535185.db2.gz QAKPXYFLYSTIDQ-RBSFLKMASA-N 2 0 293.842 2.778 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488426423 383535355 /nfs/dbraw/zinc/53/53/55/383535355.db2.gz SLOWLSOYQPKCRN-RBSFLKMASA-N 2 0 270.486 2.838 20 0 CFADRP CS[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](SC)C2)C1 ZINC000569796481 383537880 /nfs/dbraw/zinc/53/78/80/383537880.db2.gz SXSYSDLVEJYJKU-KBPBESRZSA-N 2 0 288.526 2.641 20 0 CFADRP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261656061 383538104 /nfs/dbraw/zinc/53/81/04/383538104.db2.gz YPPMUAVUTYCGLT-SJORKVTESA-N 2 0 256.393 2.748 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000488440142 383539019 /nfs/dbraw/zinc/53/90/19/383539019.db2.gz PRWULAQMTWXSMC-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000429517752 383539061 /nfs/dbraw/zinc/53/90/61/383539061.db2.gz HBJQVGDJWCXTEM-ZNMIVQPWSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000261667192 383539581 /nfs/dbraw/zinc/53/95/81/383539581.db2.gz GCOMUIHVXKMCDS-OAHLLOKOSA-N 2 0 284.350 2.501 20 0 CFADRP CC[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)[NH+](CC)CC ZINC000429549549 383541315 /nfs/dbraw/zinc/54/13/15/383541315.db2.gz UIICBMIRDYLQPE-INIZCTEOSA-N 2 0 297.487 2.535 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000341043549 383541739 /nfs/dbraw/zinc/54/17/39/383541739.db2.gz RTSPRZCJBZTAPP-ROUUACIJSA-N 2 0 290.451 2.820 20 0 CFADRP C[C@@]1(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000261684069 383541752 /nfs/dbraw/zinc/54/17/52/383541752.db2.gz ABJJAJIPFLDERB-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP COc1cccc([C@H](C)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000569824878 383541866 /nfs/dbraw/zinc/54/18/66/383541866.db2.gz LHPLSKBHAVWMKY-CBCUQQMYSA-N 2 0 274.408 2.960 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261686798 383541996 /nfs/dbraw/zinc/54/19/96/383541996.db2.gz HJKWVJCFMCNPMP-QGZVFWFLSA-N 2 0 270.376 2.927 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261686968 383542342 /nfs/dbraw/zinc/54/23/42/383542342.db2.gz MYIDENLKBAHLNG-SFHVURJKSA-N 2 0 284.403 2.889 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488452823 383543684 /nfs/dbraw/zinc/54/36/84/383543684.db2.gz YLECCINGDJUZFE-LSDHHAIUSA-N 2 0 270.486 2.981 20 0 CFADRP COc1cc(CN(C)CC(C)(C)[NH3+])c(SC)cc1OC ZINC000261914736 383579359 /nfs/dbraw/zinc/57/93/59/383579359.db2.gz JTNVVUCICVOBCL-UHFFFAOYSA-N 2 0 298.452 2.595 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000570175749 383579748 /nfs/dbraw/zinc/57/97/48/383579748.db2.gz LHGMXTQUHMNVCS-LZWOXQAQSA-N 2 0 273.424 2.817 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1ncc(C(C)(C)C)s1 ZINC000261920470 383579981 /nfs/dbraw/zinc/57/99/81/383579981.db2.gz KJKUSUOWVHCXGY-WDEREUQCSA-N 2 0 267.442 2.610 20 0 CFADRP Cc1cccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261944942 383584748 /nfs/dbraw/zinc/58/47/48/383584748.db2.gz NFXHARRBQQSWGJ-KRWDZBQOSA-N 2 0 258.409 2.784 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261950815 383584809 /nfs/dbraw/zinc/58/48/09/383584809.db2.gz NYYIULYQEMODPQ-ZFWWWQNUSA-N 2 0 276.424 2.817 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC[NH2+]C1 ZINC000261958389 383587733 /nfs/dbraw/zinc/58/77/33/383587733.db2.gz GWRHRBXAEQJLPC-ZWKOTPCHSA-N 2 0 288.435 2.525 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000261975316 383588361 /nfs/dbraw/zinc/58/83/61/383588361.db2.gz QUDXSLPMOODBLS-OFQRWUPVSA-N 2 0 292.398 2.784 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1[NH3+] ZINC000261969994 383588873 /nfs/dbraw/zinc/58/88/73/383588873.db2.gz QEAJBPLOKPLNEK-GUYCJALGSA-N 2 0 274.408 2.645 20 0 CFADRP Fc1ccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261979709 383589926 /nfs/dbraw/zinc/58/99/26/383589926.db2.gz REYIGPUZLVGYFE-HIFRSBDPSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+](C)C ZINC000489003632 383590148 /nfs/dbraw/zinc/59/01/48/383590148.db2.gz NWVOIISPUYQCHQ-LLVKDONJSA-N 2 0 261.344 2.984 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261982404 383590257 /nfs/dbraw/zinc/59/02/57/383590257.db2.gz RNHRCYGSZDJONA-STQMWFEESA-N 2 0 250.361 2.600 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000262199435 383612019 /nfs/dbraw/zinc/61/20/19/383612019.db2.gz ZXOUEPRRZAWAIK-UHFFFAOYSA-N 2 0 276.424 2.614 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000430611513 383594151 /nfs/dbraw/zinc/59/41/51/383594151.db2.gz OFPVNYATAGUCIB-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nc2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc2s1 ZINC000262013877 383594329 /nfs/dbraw/zinc/59/43/29/383594329.db2.gz VKGDXPAGFOQDGY-GXFFZTMASA-N 2 0 275.421 2.774 20 0 CFADRP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262014917 383595339 /nfs/dbraw/zinc/59/53/39/383595339.db2.gz MPLHWQVEAFWNJE-KCYZZUKISA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000430725478 383596994 /nfs/dbraw/zinc/59/69/94/383596994.db2.gz UARBFNWGRGPBRA-ARFHVFGLSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000262034427 383597594 /nfs/dbraw/zinc/59/75/94/383597594.db2.gz OKAUAMOKSJWUMW-IAGOWNOFSA-N 2 0 276.399 2.832 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000262079704 383602566 /nfs/dbraw/zinc/60/25/66/383602566.db2.gz SZCIUWOJBQTUKP-OAHLLOKOSA-N 2 0 266.816 2.814 20 0 CFADRP FC(F)(F)c1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261758670 383553568 /nfs/dbraw/zinc/55/35/68/383553568.db2.gz NMHFCZMVRDIOLU-AAEUAGOBSA-N 2 0 284.325 2.747 20 0 CFADRP C[C@@H](CN1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000261757027 383554566 /nfs/dbraw/zinc/55/45/66/383554566.db2.gz CPXDQHLMSIQQOF-NSHDSACASA-N 2 0 252.789 2.867 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(-c2cnn(C)c2)c1 ZINC000261762656 383555022 /nfs/dbraw/zinc/55/50/22/383555022.db2.gz DBTLTZALRUCBSE-CABCVRRESA-N 2 0 298.434 2.565 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261768415 383557261 /nfs/dbraw/zinc/55/72/61/383557261.db2.gz DMAREAVZMMIFJB-CABCVRRESA-N 2 0 298.434 2.565 20 0 CFADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)Cc2ccccc21 ZINC000261770393 383557383 /nfs/dbraw/zinc/55/73/83/383557383.db2.gz DQXYWGVVDFDOIR-UHFFFAOYSA-N 2 0 258.409 2.779 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261790118 383561531 /nfs/dbraw/zinc/56/15/31/383561531.db2.gz GCCYETSGHRFIPK-ZYHUDNBSSA-N 2 0 265.426 2.580 20 0 CFADRP FC(F)(F)c1cccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261811672 383564547 /nfs/dbraw/zinc/56/45/47/383564547.db2.gz SJHCUFTXXBKZEE-CQSZACIVSA-N 2 0 284.325 2.891 20 0 CFADRP Cc1ccc([C@@]2(C)CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261821134 383565946 /nfs/dbraw/zinc/56/59/46/383565946.db2.gz IHSHLVRISNAXPZ-WMZOPIPTSA-N 2 0 272.436 2.958 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000261855899 383571785 /nfs/dbraw/zinc/57/17/85/383571785.db2.gz NXCWFHXDEYJQRG-JTQLQIEISA-N 2 0 288.395 2.547 20 0 CFADRP COc1c(C)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000430930888 383614343 /nfs/dbraw/zinc/61/43/43/383614343.db2.gz AEKGIEJMJGJQHR-UHFFFAOYSA-N 2 0 288.435 2.888 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000262340021 383617642 /nfs/dbraw/zinc/61/76/42/383617642.db2.gz UFECHRTYEVDDOJ-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP Cc1cccc(C)c1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431038130 383625515 /nfs/dbraw/zinc/62/55/15/383625515.db2.gz MYAKHUIMELDVIU-UHFFFAOYSA-N 2 0 288.435 2.758 20 0 CFADRP CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431075025 383628095 /nfs/dbraw/zinc/62/80/95/383628095.db2.gz ZTPWZOVQCLGGTJ-LBPRGKRZSA-N 2 0 280.416 2.664 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000570720101 383628885 /nfs/dbraw/zinc/62/88/85/383628885.db2.gz ZGHSCCMKLKOEFB-CHWSQXEVSA-N 2 0 262.397 2.691 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789739 296350894 /nfs/dbraw/zinc/35/08/94/296350894.db2.gz YQUHEVJNXUUSMB-OWCLPIDISA-N 2 0 280.456 2.500 20 0 CFADRP C[C@H](C[NH2+]CCC1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000572079676 383752824 /nfs/dbraw/zinc/75/28/24/383752824.db2.gz LPJUERQDVFDXTM-QGZVFWFLSA-N 2 0 295.515 2.820 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000453132140 383779270 /nfs/dbraw/zinc/77/92/70/383779270.db2.gz XNCAUKGLAVHUHI-INIZCTEOSA-N 2 0 290.455 2.653 20 0 CFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000453101866 383766495 /nfs/dbraw/zinc/76/64/95/383766495.db2.gz ZKPRENXJADUZQE-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)C1 ZINC000572257162 383767341 /nfs/dbraw/zinc/76/73/41/383767341.db2.gz FWKYVMUWBRYWJD-MNOVXSKESA-N 2 0 272.314 2.506 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@@H](C)C1 ZINC000645860905 383773213 /nfs/dbraw/zinc/77/32/13/383773213.db2.gz OWZOCKJCEQRMNJ-RDJZCZTQSA-N 2 0 280.456 2.823 20 0 CFADRP CCC1([NH+](C)C)CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000640017035 383673159 /nfs/dbraw/zinc/67/31/59/383673159.db2.gz AACHTHBUCDVBJU-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000645336525 383674569 /nfs/dbraw/zinc/67/45/69/383674569.db2.gz FCGNEQDVHPNQIS-DOTOQJQBSA-N 2 0 289.423 2.594 20 0 CFADRP c1csc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000571220766 383674631 /nfs/dbraw/zinc/67/46/31/383674631.db2.gz AEYHMINPQJQKGE-LBPRGKRZSA-N 2 0 290.436 2.618 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000645949209 383803239 /nfs/dbraw/zinc/80/32/39/383803239.db2.gz UJUPLEUMADHJDZ-SJORKVTESA-N 2 0 280.456 2.753 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCC1 ZINC000453234232 383810534 /nfs/dbraw/zinc/81/05/34/383810534.db2.gz ZQKWUATWOWTYBH-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccnc3ccccc23)CCC[NH2+]C1 ZINC000572732231 383811358 /nfs/dbraw/zinc/81/13/58/383811358.db2.gz COAYKHGVLVMONK-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000572797098 383818921 /nfs/dbraw/zinc/81/89/21/383818921.db2.gz HLHNMRGOYURAOU-YESZJQIVSA-N 2 0 283.504 2.817 20 0 CFADRP CCc1cnc(CN(C)CCCC[NH+]2CCCCC2)o1 ZINC000640532278 383818882 /nfs/dbraw/zinc/81/88/82/383818882.db2.gz CNYLRFMUXCUNRM-UHFFFAOYSA-N 2 0 279.428 2.935 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000572797096 383819212 /nfs/dbraw/zinc/81/92/12/383819212.db2.gz HLHNMRGOYURAOU-GVDBMIGSSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346908 412970892 /nfs/dbraw/zinc/97/08/92/412970892.db2.gz AUYLSFPORJJJLG-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP COC1([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)CCCCC1 ZINC000421806170 533015526 /nfs/dbraw/zinc/01/55/26/533015526.db2.gz YQBXRAJVEBDZQB-CQSZACIVSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000453323485 383843720 /nfs/dbraw/zinc/84/37/20/383843720.db2.gz UKMZHTJDLWABMZ-DZVNLGKHSA-N 2 0 294.483 2.900 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCOC2(CCC2)C1)C1CC1 ZINC000453387853 383849130 /nfs/dbraw/zinc/84/91/30/383849130.db2.gz BLZNEBCUJOZTAX-CQSZACIVSA-N 2 0 266.429 2.552 20 0 CFADRP Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(C(C)(C)C)n1 ZINC000453594337 383864880 /nfs/dbraw/zinc/86/48/80/383864880.db2.gz IBJCFOYXUILZLM-UHFFFAOYSA-N 2 0 292.471 2.682 20 0 CFADRP C[N@H+](CCCC[NH2+]CC1=Cc2ccccc2OC1)C1CC1 ZINC000453595744 383865810 /nfs/dbraw/zinc/86/58/10/383865810.db2.gz KRATXGDCEZQNJQ-UHFFFAOYSA-N 2 0 286.419 2.926 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCC[NH+]1CCCCC1)CCOCC2 ZINC000646096267 383869221 /nfs/dbraw/zinc/86/92/21/383869221.db2.gz LLRJZJKLKZADLD-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453601093 383869694 /nfs/dbraw/zinc/86/96/94/383869694.db2.gz ULLNJNJFVIMTIQ-UHFFFAOYSA-N 2 0 286.423 2.607 20 0 CFADRP COc1cc(C)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453601638 383870280 /nfs/dbraw/zinc/87/02/80/383870280.db2.gz UVKAPTNZSWSFNS-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CCCC1CCCC1)CCO2 ZINC000646104959 383875303 /nfs/dbraw/zinc/87/53/03/383875303.db2.gz YNRZIPSWTSNPTB-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000572900244 383834496 /nfs/dbraw/zinc/83/44/96/383834496.db2.gz ZTMUZOJNAVIWGX-JYBOHDQNSA-N 2 0 264.335 2.790 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)C2CCOCC2)CC1 ZINC000531704251 383908512 /nfs/dbraw/zinc/90/85/12/383908512.db2.gz CUSLPPUQGWPSHW-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573439188 383928834 /nfs/dbraw/zinc/92/88/34/383928834.db2.gz KWUQSTZUUYFCJE-CWRNSKLLSA-N 2 0 282.472 2.779 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000422816804 533020154 /nfs/dbraw/zinc/02/01/54/533020154.db2.gz BMMCRZTYUJRPCD-LZWOXQAQSA-N 2 0 270.461 2.935 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573197906 383887788 /nfs/dbraw/zinc/88/77/88/383887788.db2.gz LJWURVZFJZKVRL-MGPQQGTHSA-N 2 0 250.386 2.708 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]3O)CC2)C1 ZINC000453635930 383894884 /nfs/dbraw/zinc/89/48/84/383894884.db2.gz VXQOMFITAXKRKW-LMSBXDPUSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]3O)CC2)C1 ZINC000453635929 383895662 /nfs/dbraw/zinc/89/56/62/383895662.db2.gz VXQOMFITAXKRKW-IDCNUPLLSA-N 2 0 294.483 2.780 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000422769167 533020865 /nfs/dbraw/zinc/02/08/65/533020865.db2.gz USOPKNSLXUZVAI-FUHWJXTLSA-N 2 0 299.418 2.515 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000532214644 383993908 /nfs/dbraw/zinc/99/39/08/383993908.db2.gz OXYKIAKNZGYJNV-XJKCOSOUSA-N 2 0 264.388 2.859 20 0 CFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000532224831 383995999 /nfs/dbraw/zinc/99/59/99/383995999.db2.gz IRCYHMMWCVTVLQ-CABCVRRESA-N 2 0 299.503 2.589 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438074288 383942830 /nfs/dbraw/zinc/94/28/30/383942830.db2.gz ODUVHEQPOGWNTM-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000531975435 383950566 /nfs/dbraw/zinc/95/05/66/383950566.db2.gz JAHWQBNMQNDMJN-CRAIPNDOSA-N 2 0 290.451 2.804 20 0 CFADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(C)s1 ZINC000532373602 384017990 /nfs/dbraw/zinc/01/79/90/384017990.db2.gz NFXGJOBUFOVCSV-UHFFFAOYSA-N 2 0 296.480 2.690 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000532441393 384028426 /nfs/dbraw/zinc/02/84/26/384028426.db2.gz WGAKINUYSBDMCA-GXTWGEPZSA-N 2 0 298.377 2.903 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000532441396 384029052 /nfs/dbraw/zinc/02/90/52/384029052.db2.gz WGAKINUYSBDMCA-OCCSQVGLSA-N 2 0 298.377 2.903 20 0 CFADRP CC(C)[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532442022 384029118 /nfs/dbraw/zinc/02/91/18/384029118.db2.gz FKEZMNINHZJBFK-HUUCEWRRSA-N 2 0 295.496 2.671 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CCOCC1 ZINC000532448187 384031234 /nfs/dbraw/zinc/03/12/34/384031234.db2.gz DLSBXMPIUKOFKW-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H](F)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000440487417 384088687 /nfs/dbraw/zinc/08/86/87/384088687.db2.gz AQAOLSXSDSFWAO-MRXNPFEDSA-N 2 0 286.435 2.559 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000070356430 412974450 /nfs/dbraw/zinc/97/44/50/412974450.db2.gz ZMMWMVGGCOPJIK-CVEARBPZSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)C(C)(C)C[NH+](C)C ZINC000574512771 384108127 /nfs/dbraw/zinc/10/81/27/384108127.db2.gz WVOATQCLUYVHSX-CQSZACIVSA-N 2 0 291.439 2.581 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000574524227 384111653 /nfs/dbraw/zinc/11/16/53/384111653.db2.gz KXAQZKUTPBRADZ-HNNXBMFYSA-N 2 0 283.504 2.674 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000574524228 384111688 /nfs/dbraw/zinc/11/16/88/384111688.db2.gz KXAQZKUTPBRADZ-OAHLLOKOSA-N 2 0 283.504 2.674 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422782252 533035411 /nfs/dbraw/zinc/03/54/11/533035411.db2.gz GDKZPANCVHQCLD-UONOGXRCSA-N 2 0 280.412 2.570 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NCc2coc(-c3cccs3)n2)C1 ZINC000574652037 384129635 /nfs/dbraw/zinc/12/96/35/384129635.db2.gz USLLXKALAOBYPZ-MNOVXSKESA-N 2 0 277.393 2.763 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000277145322 384213146 /nfs/dbraw/zinc/21/31/46/384213146.db2.gz JJBKVFUSYSPHJL-QGZVFWFLSA-N 2 0 298.434 2.788 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000637890057 384253793 /nfs/dbraw/zinc/25/37/93/384253793.db2.gz QWPJHXBJLWMRQR-RDJZCZTQSA-N 2 0 282.472 2.998 20 0 CFADRP C(C1CC[NH+](CC2CCSCC2)CC1)[NH+]1CCCC1 ZINC000637906316 384266441 /nfs/dbraw/zinc/26/64/41/384266441.db2.gz UYSYDLQNUXXXGM-UHFFFAOYSA-N 2 0 282.497 2.937 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281124689 195113843 /nfs/dbraw/zinc/11/38/43/195113843.db2.gz DLAGFQJBDNIVCJ-BLLLJJGKSA-N 2 0 277.387 2.603 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000637908038 384269030 /nfs/dbraw/zinc/26/90/30/384269030.db2.gz XLHTVDRDOILJPZ-UHFFFAOYSA-N 2 0 283.366 2.793 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000637965460 384313424 /nfs/dbraw/zinc/31/34/24/384313424.db2.gz RYBQDEKHFBCCII-GOEBONIOSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccncc2N)CC1 ZINC000641732464 384301602 /nfs/dbraw/zinc/30/16/02/384301602.db2.gz FEHSKIMHYUMSTA-UHFFFAOYSA-N 2 0 290.455 2.512 20 0 CFADRP CC[NH+](CC)CC[C@H](CO)NCc1ccc(SC)cc1 ZINC000641772531 384339111 /nfs/dbraw/zinc/33/91/11/384339111.db2.gz QFBGBVBXNQUSIV-OAHLLOKOSA-N 2 0 296.480 2.591 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[NH+]1CCC(C[NH3+])CC1 ZINC000641797042 384360590 /nfs/dbraw/zinc/36/05/90/384360590.db2.gz QWTZGQJPQIUZDD-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641795881 384361021 /nfs/dbraw/zinc/36/10/21/384361021.db2.gz ATFIEMXMMYPRKL-NSHDSACASA-N 2 0 275.421 2.856 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000641797935 384362172 /nfs/dbraw/zinc/36/21/72/384362172.db2.gz ARUNPMYXFRXNIV-IXDOHACOSA-N 2 0 292.467 2.942 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC(C[NH2+]CC)CC2)o1 ZINC000641797079 384362818 /nfs/dbraw/zinc/36/28/18/384362818.db2.gz SEYVIHHHQKNUMY-UHFFFAOYSA-N 2 0 279.428 2.757 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC(CC[NH2+]C)CC2)o1 ZINC000641797538 384363152 /nfs/dbraw/zinc/36/31/52/384363152.db2.gz DXFHPGHWMGEPRA-UHFFFAOYSA-N 2 0 279.428 2.757 20 0 CFADRP CCCc1nc(C)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000641798637 384365747 /nfs/dbraw/zinc/36/57/47/384365747.db2.gz OVHYDAOXHLWDRN-LSDHHAIUSA-N 2 0 291.439 2.900 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000641800856 384367340 /nfs/dbraw/zinc/36/73/40/384367340.db2.gz HHFZMLQDSGOCAL-STQMWFEESA-N 2 0 286.778 2.573 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000641801620 384369264 /nfs/dbraw/zinc/36/92/64/384369264.db2.gz UARRECPJLYATJC-RYUDHWBXSA-N 2 0 254.324 2.840 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000641808977 384374774 /nfs/dbraw/zinc/37/47/74/384374774.db2.gz VGVMBPPKPBMKML-KBPBESRZSA-N 2 0 266.816 2.988 20 0 CFADRP CSc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802555 384370822 /nfs/dbraw/zinc/37/08/22/384370822.db2.gz MOIHMIBSOJKURV-STQMWFEESA-N 2 0 250.411 2.624 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000641802221 384371541 /nfs/dbraw/zinc/37/15/41/384371541.db2.gz ZSDDGBAZEZJGCX-ZIAGYGMSSA-N 2 0 275.421 2.554 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000641805865 384372891 /nfs/dbraw/zinc/37/28/91/384372891.db2.gz PBCFPSBXXVFSKY-DLBZAZTESA-N 2 0 284.403 2.934 20 0 CFADRP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)OC ZINC000638109534 384421384 /nfs/dbraw/zinc/42/13/84/384421384.db2.gz GHVVUIQAROWXPX-QLFBSQMISA-N 2 0 256.434 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@](C)(CC)OC)C[C@@H]1C ZINC000638108873 384421852 /nfs/dbraw/zinc/42/18/52/384421852.db2.gz BNLXGMQLDKFKHU-KKUMJFAQSA-N 2 0 256.434 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCSCC2)C[C@H]1C ZINC000638110117 384422124 /nfs/dbraw/zinc/42/21/24/384422124.db2.gz ITTCIBURAHEKRM-HIFRSBDPSA-N 2 0 270.486 2.934 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)OC ZINC000638111467 384424902 /nfs/dbraw/zinc/42/49/02/384424902.db2.gz FJGGIFPOHSEYPC-JJXSEGSLSA-N 2 0 270.461 2.710 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCOc1cccc(Cl)c1 ZINC000641810015 384375127 /nfs/dbraw/zinc/37/51/27/384375127.db2.gz ZMERGWQUNGYBQG-KGLIPLIRSA-N 2 0 282.815 2.824 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000638134220 384445677 /nfs/dbraw/zinc/44/56/77/384445677.db2.gz MMWBZVGWTYSYNH-USXIJHARSA-N 2 0 282.472 2.711 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2ccnn2CC2CCC2)CC[N@@H+]1C ZINC000638117922 384431518 /nfs/dbraw/zinc/43/15/18/384431518.db2.gz UIBSSPVOSYHYCR-HOCLYGCPSA-N 2 0 290.455 2.598 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)OC ZINC000638124282 384437241 /nfs/dbraw/zinc/43/72/41/384437241.db2.gz VHWALFMZQRCYST-XHSDSOJGSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)C1(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000638178107 384472821 /nfs/dbraw/zinc/47/28/21/384472821.db2.gz FNQDURLRYYYWMT-OWCLPIDISA-N 2 0 280.456 2.606 20 0 CFADRP Cc1cc(NC2CCC([NH3+])CC2)c2cc(F)ccc2[nH+]1 ZINC000642997758 384473400 /nfs/dbraw/zinc/47/34/00/384473400.db2.gz GMRHWSPMTVZSKW-UHFFFAOYSA-N 2 0 273.355 2.786 20 0 CFADRP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c2cc(F)ccc2[nH+]1 ZINC000643030508 384479885 /nfs/dbraw/zinc/47/98/85/384479885.db2.gz WLUCVVZBZVKJMI-OLZOCXBDSA-N 2 0 273.355 2.786 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000643057181 384488078 /nfs/dbraw/zinc/48/80/78/384488078.db2.gz REUQCRHYCRIUOA-XJKSGUPXSA-N 2 0 260.381 2.529 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000278296760 384521418 /nfs/dbraw/zinc/52/14/18/384521418.db2.gz CDJNGQFILJVVCJ-CQSZACIVSA-N 2 0 292.398 2.798 20 0 CFADRP CC[N@H+](Cc1ccccc1N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435616944 285118568 /nfs/dbraw/zinc/11/85/68/285118568.db2.gz UYALSLAUVWJBQM-MRXNPFEDSA-N 2 0 275.440 2.717 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]([NH3+])CCC(C)C)c1 ZINC000638288863 384533531 /nfs/dbraw/zinc/53/35/31/384533531.db2.gz CMHAUMDWYMHAQK-INIZCTEOSA-N 2 0 291.439 2.759 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000638301769 384542423 /nfs/dbraw/zinc/54/24/23/384542423.db2.gz PJBRFJXLEAESCS-UHFFFAOYSA-N 2 0 296.842 2.665 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CS[C@H](C)C1)N1CCCC[C@@H]1C ZINC000638360319 384582790 /nfs/dbraw/zinc/58/27/90/384582790.db2.gz HYWMBZOFCBRMIP-FQUUOJAGSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CS[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000638362761 384587151 /nfs/dbraw/zinc/58/71/51/384587151.db2.gz DXAOJXPABNFHLM-MQYQWHSLSA-N 2 0 256.459 2.590 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)C1 ZINC000638362429 384587248 /nfs/dbraw/zinc/58/72/48/384587248.db2.gz ZVASRBWCUJAAIW-QVOMUQBLSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCCN1C ZINC000289302585 197289416 /nfs/dbraw/zinc/28/94/16/197289416.db2.gz SHLQDROWXDLIMZ-SMDDNHRTSA-N 2 0 278.371 2.505 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNCc2nc3ccccc3nc2C)C1 ZINC000638409641 384632627 /nfs/dbraw/zinc/63/26/27/384632627.db2.gz NHDKMRDYSSYVME-OAHLLOKOSA-N 2 0 298.434 2.760 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638405084 384625959 /nfs/dbraw/zinc/62/59/59/384625959.db2.gz UUHFUHMXLJJMTG-ZDUSSCGKSA-N 2 0 296.480 2.504 20 0 CFADRP c1ccc(C2CC2)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000643427488 384629933 /nfs/dbraw/zinc/62/99/33/384629933.db2.gz OIRFWKVZUBBNSB-UHFFFAOYSA-N 2 0 256.393 2.892 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638408371 384630228 /nfs/dbraw/zinc/63/02/28/384630228.db2.gz ALMRXPIGZLYGQC-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP CCC[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)OC ZINC000638365485 384591733 /nfs/dbraw/zinc/59/17/33/384591733.db2.gz DUUSAZBOZUHZIU-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccns2)C1 ZINC000638369325 384594823 /nfs/dbraw/zinc/59/48/23/384594823.db2.gz GAOQFLYUYKNVIU-OKILXGFUSA-N 2 0 281.469 2.991 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccns2)CC1 ZINC000638370692 384596252 /nfs/dbraw/zinc/59/62/52/384596252.db2.gz MJKPBQNIHXZGFP-UHFFFAOYSA-N 2 0 267.442 2.745 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CCC[C@H]2CCO2)C1 ZINC000638369925 384596596 /nfs/dbraw/zinc/59/65/96/384596596.db2.gz JMXKGIMNOXUBMO-ZACQAIPSSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497805 384663950 /nfs/dbraw/zinc/66/39/50/384663950.db2.gz JZVSVZDNGYRMAR-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](Cc2ccccc2)OC)C1 ZINC000638450833 384668323 /nfs/dbraw/zinc/66/83/23/384668323.db2.gz IWVXAYDMFLCHGX-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453237 384634925 /nfs/dbraw/zinc/63/49/25/384634925.db2.gz RKQWQUKBRSWGLQ-AVGNSLFASA-N 2 0 297.393 2.507 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453521 384635726 /nfs/dbraw/zinc/63/57/26/384635726.db2.gz IYZJNBPTRFYKJP-UCLAIMLFSA-N 2 0 280.415 2.874 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000643457096 384637456 /nfs/dbraw/zinc/63/74/56/384637456.db2.gz USTQJLBNSDGNHS-IAGOWNOFSA-N 2 0 260.425 2.953 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000643466620 384646227 /nfs/dbraw/zinc/64/62/27/384646227.db2.gz IZQKDDNCHOHPPY-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000643471808 384652068 /nfs/dbraw/zinc/65/20/68/384652068.db2.gz BBELADBNYXNIII-GFCCVEGCSA-N 2 0 273.380 2.643 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000643477975 384654221 /nfs/dbraw/zinc/65/42/21/384654221.db2.gz KLJMHZYAKOGUQU-CKEIUWERSA-N 2 0 258.409 2.522 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643475709 384654731 /nfs/dbraw/zinc/65/47/31/384654731.db2.gz BYZLYOIVAMQJGD-FJBKBRRZSA-N 2 0 268.445 2.972 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CS1 ZINC000638445577 384660462 /nfs/dbraw/zinc/66/04/62/384660462.db2.gz OPCUZVJTRABTDE-DZGCQCFKSA-N 2 0 294.464 2.611 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000643493841 384661810 /nfs/dbraw/zinc/66/18/10/384661810.db2.gz UWTOMCZCBRGBOF-LESCRADOSA-N 2 0 290.451 2.981 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000643542744 384723151 /nfs/dbraw/zinc/72/31/51/384723151.db2.gz RJOOYXISOZDIEF-XDMRBOTDSA-N 2 0 266.335 2.669 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CCCC13CCOCC3)CC[NH2+]2 ZINC000643548121 384728069 /nfs/dbraw/zinc/72/80/69/384728069.db2.gz MRVDIPFAJPXJQI-HUUCEWRRSA-N 2 0 278.440 2.600 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545758 384725521 /nfs/dbraw/zinc/72/55/21/384725521.db2.gz BQOKNVJYWWAAOT-UONOGXRCSA-N 2 0 262.397 2.865 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)C12CCCC2 ZINC000643508278 384680623 /nfs/dbraw/zinc/68/06/23/384680623.db2.gz ANWBKSDEPGEDKT-GJZGRUSLSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+][C@H](CN[C@H]1CCCc2cccnc21)c1ccccc1 ZINC000643509068 384680675 /nfs/dbraw/zinc/68/06/75/384680675.db2.gz IVMIBWPTTMBGPG-CVEARBPZSA-N 2 0 267.376 2.749 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000643509285 384680854 /nfs/dbraw/zinc/68/08/54/384680854.db2.gz USOGKGWZDUWQTK-OLZOCXBDSA-N 2 0 252.427 2.658 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521947 384686842 /nfs/dbraw/zinc/68/68/42/384686842.db2.gz FSTIBBFJXNWHDY-GHMZBOCLSA-N 2 0 254.399 2.549 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521950 384687053 /nfs/dbraw/zinc/68/70/53/384687053.db2.gz FSTIBBFJXNWHDY-WDEREUQCSA-N 2 0 254.399 2.549 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000643522244 384688488 /nfs/dbraw/zinc/68/84/88/384688488.db2.gz KKMZBQSBCLBMKB-LRDDRELGSA-N 2 0 260.381 2.510 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C[C@H]1Oc1ccccc1 ZINC000643522602 384689725 /nfs/dbraw/zinc/68/97/25/384689725.db2.gz PVGOSLRZPXKCBF-USXIJHARSA-N 2 0 288.435 2.964 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000643524097 384690861 /nfs/dbraw/zinc/69/08/61/384690861.db2.gz ISPMLQZLZUABCH-ILXRZTDVSA-N 2 0 263.360 2.531 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000643524148 384692014 /nfs/dbraw/zinc/69/20/14/384692014.db2.gz PNJOXTPUCGYONU-HFAKWTLXSA-N 2 0 266.335 2.812 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000643523988 384692033 /nfs/dbraw/zinc/69/20/33/384692033.db2.gz UJQNUTVRLFQTBU-YNEHKIRRSA-N 2 0 252.427 2.929 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000643523154 384692214 /nfs/dbraw/zinc/69/22/14/384692214.db2.gz ZFOZMLCKMVTXDB-ZIAGYGMSSA-N 2 0 262.397 2.796 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643524507 384693745 /nfs/dbraw/zinc/69/37/45/384693745.db2.gz SAOIKCQBIMBDHO-XYPHTWIQSA-N 2 0 258.409 2.522 20 0 CFADRP CC(C)COc1ccc([C@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643526010 384694391 /nfs/dbraw/zinc/69/43/91/384694391.db2.gz MXVFMIJXAJTDNU-OLZOCXBDSA-N 2 0 250.386 2.719 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000268928397 384694568 /nfs/dbraw/zinc/69/45/68/384694568.db2.gz QGKBZKKPTNIZSG-IAGOWNOFSA-N 2 0 290.451 2.883 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000643526538 384695794 /nfs/dbraw/zinc/69/57/94/384695794.db2.gz AQOZQXBEDLQOEI-UWVGGRQHSA-N 2 0 260.303 2.573 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000643526782 384696623 /nfs/dbraw/zinc/69/66/23/384696623.db2.gz GJHUEDATXJZYBR-MNOVXSKESA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000643526195 384696895 /nfs/dbraw/zinc/69/68/95/384696895.db2.gz UAINTEGZKCTDJB-QWRGUYRKSA-N 2 0 272.339 2.546 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000643528412 384700733 /nfs/dbraw/zinc/70/07/33/384700733.db2.gz IZTUAOBIYXINEM-GHMZBOCLSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000643529599 384703810 /nfs/dbraw/zinc/70/38/10/384703810.db2.gz FKRHGYCQAHDICI-IINYFYTJSA-N 2 0 297.240 2.707 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534508 384705462 /nfs/dbraw/zinc/70/54/62/384705462.db2.gz WKCHHCDGKDXSMA-CVEARBPZSA-N 2 0 256.393 2.714 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000643533729 384705816 /nfs/dbraw/zinc/70/58/16/384705816.db2.gz CMAXPXPOLYRWCH-NOZJJQNGSA-N 2 0 284.325 2.897 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534329 384706116 /nfs/dbraw/zinc/70/61/16/384706116.db2.gz QWVZTORTZNQESV-HOTGVXAUSA-N 2 0 256.393 2.796 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534674 384707019 /nfs/dbraw/zinc/70/70/19/384707019.db2.gz ZYIFILHOFVHCED-GJZGRUSLSA-N 2 0 260.356 2.545 20 0 CFADRP CC(C)C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534900 384707059 /nfs/dbraw/zinc/70/70/59/384707059.db2.gz FMGHFABSFMEQAW-HOTGVXAUSA-N 2 0 273.424 2.901 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534679 384707456 /nfs/dbraw/zinc/70/74/56/384707456.db2.gz ZZZUDNZBWCRQKZ-CZUORRHYSA-N 2 0 274.408 2.796 20 0 CFADRP COC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000643535551 384709232 /nfs/dbraw/zinc/70/92/32/384709232.db2.gz GNTGFKHYCYXQNN-HUUCEWRRSA-N 2 0 294.826 2.759 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000643536285 384710767 /nfs/dbraw/zinc/71/07/67/384710767.db2.gz PNSLCMXWZALMDM-WCQYABFASA-N 2 0 250.411 2.849 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1N(C)C ZINC000643536263 384710794 /nfs/dbraw/zinc/71/07/94/384710794.db2.gz SESGVIOEPWMWTK-CZUORRHYSA-N 2 0 273.424 2.545 20 0 CFADRP c1c[nH]c([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CCCCC2)n1 ZINC000643536821 384711366 /nfs/dbraw/zinc/71/13/66/384711366.db2.gz WIYWSXXGSNRNLS-GJZGRUSLSA-N 2 0 288.439 2.763 20 0 CFADRP CC(C)CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536963 384713748 /nfs/dbraw/zinc/71/37/48/384713748.db2.gz ZLHMXGMPEUJIIC-CABCVRRESA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000643543797 384721692 /nfs/dbraw/zinc/72/16/92/384721692.db2.gz WPWOATLZWIPLHA-ZBFHGGJFSA-N 2 0 264.413 2.607 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CC(n3cccn3)C2)c1 ZINC000638562960 384742633 /nfs/dbraw/zinc/74/26/33/384742633.db2.gz HAGGTDWDSPFQBH-UHFFFAOYSA-N 2 0 298.434 2.828 20 0 CFADRP CO[C@@H](C[NH2+]CCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000638566399 384746353 /nfs/dbraw/zinc/74/63/53/384746353.db2.gz HRRNVROVURTZOT-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566455 384746560 /nfs/dbraw/zinc/74/65/60/384746560.db2.gz JLIKVQQFQSTGNW-XHSDSOJGSA-N 2 0 270.461 2.758 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000638566562 384746641 /nfs/dbraw/zinc/74/66/41/384746641.db2.gz LYSHYELFYQRAIV-QQFBHYJXSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000279770244 384752899 /nfs/dbraw/zinc/75/28/99/384752899.db2.gz SINJSFSAXFGSAK-IUODEOHRSA-N 2 0 284.831 2.957 20 0 CFADRP C([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638669225 384824524 /nfs/dbraw/zinc/82/45/24/384824524.db2.gz PITYCPITXPIIKH-WCXIOVBPSA-N 2 0 292.467 2.513 20 0 CFADRP COc1cccc(OC)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000643886768 384781926 /nfs/dbraw/zinc/78/19/26/384781926.db2.gz QKYJBRGIRUGIAV-UONOGXRCSA-N 2 0 292.423 2.618 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000638625694 384790773 /nfs/dbraw/zinc/79/07/73/384790773.db2.gz GZXVAKKLHVUWGL-ZMSDIMECSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C(C)C ZINC000638732890 384874712 /nfs/dbraw/zinc/87/47/12/384874712.db2.gz FRJCCBWDROZLMV-HOTGVXAUSA-N 2 0 297.487 2.532 20 0 CFADRP CC[C@@](C)(C[NH2+]CCC[NH+](C(C)C)C(C)C)OC ZINC000638733247 384876415 /nfs/dbraw/zinc/87/64/15/384876415.db2.gz GXLKZWISWWHKDG-HNNXBMFYSA-N 2 0 258.450 2.900 20 0 CFADRP CCC1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCC1 ZINC000638737612 384878637 /nfs/dbraw/zinc/87/86/37/384878637.db2.gz GEIOWABHVGKMBF-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](CC(C)C)OC)CC1 ZINC000638692441 384838464 /nfs/dbraw/zinc/83/84/64/384838464.db2.gz GZQCQANHSJDSAM-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000638692705 384838737 /nfs/dbraw/zinc/83/87/37/384838737.db2.gz LEQDMNBAHIZIID-GXTWGEPZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]CCC1CC[NH+](CC)CC1)OC ZINC000638694022 384842447 /nfs/dbraw/zinc/84/24/47/384842447.db2.gz YVGFHAWLVYROHP-GDBMZVCRSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc([C@@H](C)C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414843504 533097182 /nfs/dbraw/zinc/09/71/82/533097182.db2.gz PZUIHMYFTCTAFN-GJZGRUSLSA-N 2 0 276.424 2.778 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000638779332 384912892 /nfs/dbraw/zinc/91/28/92/384912892.db2.gz KBOVFPRUUBJXBT-GFJIZPEISA-N 2 0 256.459 2.590 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)C1CC1 ZINC000638787833 384919217 /nfs/dbraw/zinc/91/92/17/384919217.db2.gz JJLUFWUQSDNZNA-WBVHZDCISA-N 2 0 282.472 2.759 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000337394697 285146310 /nfs/dbraw/zinc/14/63/10/285146310.db2.gz MMLHVMMLAWDNNU-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000337394701 285145632 /nfs/dbraw/zinc/14/56/32/285145632.db2.gz MMLHVMMLAWDNNU-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000638848003 384982333 /nfs/dbraw/zinc/98/23/33/384982333.db2.gz FHFBAVJUYDQKJW-ROUUACIJSA-N 2 0 293.499 2.739 20 0 CFADRP CO[C@@H](C[NH2+]CC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC000638958761 385056868 /nfs/dbraw/zinc/05/68/68/385056868.db2.gz NLOQKFNSOZRTBW-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](CC(C)(C)Oc3ccccc3)[C@@H]2C1 ZINC000638919141 385030714 /nfs/dbraw/zinc/03/07/14/385030714.db2.gz ZLXOCDFKJJKUHS-NVXWUHKLSA-N 2 0 288.435 2.870 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(F)F)nc3)[C@@H]2C1 ZINC000638917514 385031833 /nfs/dbraw/zinc/03/18/33/385031833.db2.gz GGLMNZITJLZFMY-GXTWGEPZSA-N 2 0 281.350 2.545 20 0 CFADRP Cc1scc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1C ZINC000638918478 385032025 /nfs/dbraw/zinc/03/20/25/385032025.db2.gz RCGRRDALXVMDMT-ZFWWWQNUSA-N 2 0 264.438 2.891 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4cnccc4c3)C2)C1 ZINC000644843058 385099496 /nfs/dbraw/zinc/09/94/96/385099496.db2.gz KPRNCIXCMBXFPL-SFHVURJKSA-N 2 0 281.403 2.762 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000270425837 385099987 /nfs/dbraw/zinc/09/99/87/385099987.db2.gz GUSNYJUWQFAIGP-NVXWUHKLSA-N 2 0 290.451 2.950 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280805663 385160547 /nfs/dbraw/zinc/16/05/47/385160547.db2.gz ISMNCQOIUDTOML-HZPDHXFCSA-N 2 0 259.397 2.607 20 0 CFADRP CO[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)C1CCCC1 ZINC000639125610 385223977 /nfs/dbraw/zinc/22/39/77/385223977.db2.gz XSTMMRVDHPPNFI-OFLPRAFFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](c1ccncc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645186887 385231206 /nfs/dbraw/zinc/23/12/06/385231206.db2.gz SBSMUICAYRTFEI-GDBMZVCRSA-N 2 0 259.397 2.560 20 0 CFADRP Cc1cccn2cc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)nc12 ZINC000645186830 385231514 /nfs/dbraw/zinc/23/15/14/385231514.db2.gz AQECKRGASLRJMG-GOSISDBHSA-N 2 0 298.434 2.560 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCOC(C)(C)C)C2)C1 ZINC000645187740 385232868 /nfs/dbraw/zinc/23/28/68/385232868.db2.gz DAVIVOFHAABZTR-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C(CC[NH2+]Cc1nc2c(s1)CCC2)CC[NH+]1CCCC1 ZINC000645199962 385237965 /nfs/dbraw/zinc/23/79/65/385237965.db2.gz LLDGSKBVENUQBS-UHFFFAOYSA-N 2 0 293.480 2.988 20 0 CFADRP CCOC1CC(C[N@H+](CC)CCC[NH+]2CCCC2)C1 ZINC000639175029 385280082 /nfs/dbraw/zinc/28/00/82/385280082.db2.gz GWCSKLVJTBXPRO-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)CC1CCSCC1 ZINC000639175396 385282737 /nfs/dbraw/zinc/28/27/37/385282737.db2.gz LKVBXZIATVYDSE-UHFFFAOYSA-N 2 0 270.486 2.937 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)sn1 ZINC000639176449 385284628 /nfs/dbraw/zinc/28/46/28/385284628.db2.gz GXUNKKDLXRKEHH-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CS1 ZINC000639211230 385334575 /nfs/dbraw/zinc/33/45/75/385334575.db2.gz RVBJWSCRHRGKAY-KBPBESRZSA-N 2 0 256.459 2.736 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1F ZINC000423340201 533115593 /nfs/dbraw/zinc/11/55/93/533115593.db2.gz VMESSKBIWYKDOM-GFCCVEGCSA-N 2 0 280.387 2.875 20 0 CFADRP Cc1nc2sccn2c1CN(C)CC[C@H]1CCC[N@@H+]1C ZINC000271206864 385375822 /nfs/dbraw/zinc/37/58/22/385375822.db2.gz GRUILWKGLBEHQJ-CYBMUJFWSA-N 2 0 292.452 2.620 20 0 CFADRP Cc1ccc(CC[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000639257851 385386620 /nfs/dbraw/zinc/38/66/20/385386620.db2.gz RTMFSEAYCOIKIV-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000639258501 385387792 /nfs/dbraw/zinc/38/77/92/385387792.db2.gz BIZONHXUSKCOGE-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271887286 385395029 /nfs/dbraw/zinc/39/50/29/385395029.db2.gz QZKWEYJUFONRLR-SUMWQHHRSA-N 2 0 256.393 2.771 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CC1(F)F ZINC000639285669 385412455 /nfs/dbraw/zinc/41/24/55/385412455.db2.gz IUOZLMIUOOFOPR-DMRZNYOFSA-N 2 0 294.389 2.965 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC1(F)F ZINC000639302305 385429266 /nfs/dbraw/zinc/42/92/66/385429266.db2.gz LHSMUSJVKIVHLS-WUHRBBMRSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000121350740 412999673 /nfs/dbraw/zinc/99/96/73/412999673.db2.gz YPUJTMMUKYZWSL-NXOAAHMSSA-N 2 0 292.467 2.656 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335543 385461119 /nfs/dbraw/zinc/46/11/19/385461119.db2.gz TZBWKNOHTPDOIL-WMLDXEAASA-N 2 0 282.472 2.759 20 0 CFADRP CCC[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375101 385492136 /nfs/dbraw/zinc/49/21/36/385492136.db2.gz QFIIXZOYFWTHII-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CCOC1CC(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000639375001 385492351 /nfs/dbraw/zinc/49/23/51/385492351.db2.gz OMHQQFMZOXCERJ-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000639378554 385495607 /nfs/dbraw/zinc/49/56/07/385495607.db2.gz IFHSLHQSCVSIHW-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@@](C)(C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639378283 385495718 /nfs/dbraw/zinc/49/57/18/385495718.db2.gz NZMCTEXPDZUGFI-AWEZNQCLSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000121351049 413001048 /nfs/dbraw/zinc/00/10/48/413001048.db2.gz YPUJTMMUKYZWSL-QAETUUGQSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)s1 ZINC000639395490 385513208 /nfs/dbraw/zinc/51/32/08/385513208.db2.gz AMZJWUKCLBMMFW-AWEZNQCLSA-N 2 0 250.411 2.583 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272553508 385562880 /nfs/dbraw/zinc/56/28/80/385562880.db2.gz MJUQVDINTQOUIM-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272553503 385562917 /nfs/dbraw/zinc/56/29/17/385562917.db2.gz MJUQVDINTQOUIM-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639510999 385566083 /nfs/dbraw/zinc/56/60/83/385566083.db2.gz LCYYOSYHNPQJLW-OAHLLOKOSA-N 2 0 288.435 2.533 20 0 CFADRP C[C@H]([NH2+]CCCCCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604418 385573518 /nfs/dbraw/zinc/57/35/18/385573518.db2.gz YYGUPLGUHQJSBZ-FUHWJXTLSA-N 2 0 290.451 2.649 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000423551885 533130972 /nfs/dbraw/zinc/13/09/72/533130972.db2.gz UPNMXWLLTNKCJF-ZGKBOVNRSA-N 2 0 292.398 2.873 20 0 CFADRP C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579755 385592987 /nfs/dbraw/zinc/59/29/87/385592987.db2.gz KMVBKFKSPBSGGT-UKRRQHHQSA-N 2 0 289.423 2.530 20 0 CFADRP Cc1nc(-c2ccncc2)nc(N[C@@H](C)C[NH+](C)C)c1C ZINC000286450637 385624521 /nfs/dbraw/zinc/62/45/21/385624521.db2.gz OWXLBPXVQKCDNQ-NSHDSACASA-N 2 0 285.395 2.517 20 0 CFADRP CCc1cc(NCCc2nc3ccccc3[nH]2)nc(C)n1 ZINC000272848015 385632224 /nfs/dbraw/zinc/63/22/24/385632224.db2.gz JTZUKYXGOHPYRW-UHFFFAOYSA-N 2 0 281.363 2.878 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2occc2c1 ZINC000286496834 385635605 /nfs/dbraw/zinc/63/56/05/385635605.db2.gz MEXNUDGXSDWJIE-MRXNPFEDSA-N 2 0 290.407 2.879 20 0 CFADRP CC/C=C/CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683699 385659600 /nfs/dbraw/zinc/65/96/00/385659600.db2.gz MDPKSMWRGHLANR-ONEGZZNKSA-N 2 0 259.397 2.950 20 0 CFADRP c1ccc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639681676 385659624 /nfs/dbraw/zinc/65/96/24/385659624.db2.gz ALGBOACJOVJTOH-UHFFFAOYSA-N 2 0 281.403 2.836 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cncc(Cl)c3)C2)CC1 ZINC000639758729 385697325 /nfs/dbraw/zinc/69/73/25/385697325.db2.gz UQFPXUBAGOWZFD-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP CN(CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639758543 385697387 /nfs/dbraw/zinc/69/73/87/385697387.db2.gz URFUAUBIQNNQSE-UHFFFAOYSA-N 2 0 287.451 2.541 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639755193 385698002 /nfs/dbraw/zinc/69/80/02/385698002.db2.gz HNAWYHJRVRWMRN-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCCOC(C)(C)C)C2)CC1 ZINC000639758058 385698406 /nfs/dbraw/zinc/69/84/06/385698406.db2.gz PCVHXKRSSSVEEV-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)c1noc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639759787 385699273 /nfs/dbraw/zinc/69/92/73/385699273.db2.gz JOQXCBFECGJWKV-CYBMUJFWSA-N 2 0 292.427 2.672 20 0 CFADRP CC1CC[NH+](CCN2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000639982430 385801650 /nfs/dbraw/zinc/80/16/50/385801650.db2.gz PJKADKLFNZVODD-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1ccc2c(c1)nc(CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)n2C ZINC000274449933 385801882 /nfs/dbraw/zinc/80/18/82/385801882.db2.gz SGBSVHZWTBTFFK-LSDHHAIUSA-N 2 0 298.434 2.598 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639986320 385807150 /nfs/dbraw/zinc/80/71/50/385807150.db2.gz SQUQXXYZWOKTHJ-HNNXBMFYSA-N 2 0 293.480 2.882 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000274610652 385833985 /nfs/dbraw/zinc/83/39/85/385833985.db2.gz KBJZLUXDUGNESV-GJZGRUSLSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]CCc1cccc(Cl)c1 ZINC000274652000 385841875 /nfs/dbraw/zinc/84/18/75/385841875.db2.gz LOOFAUPHLITGGB-LBPRGKRZSA-N 2 0 254.805 2.812 20 0 CFADRP CCn1nc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000274406419 385790433 /nfs/dbraw/zinc/79/04/33/385790433.db2.gz GWWMKMNHZHMTQK-AWEZNQCLSA-N 2 0 298.434 2.630 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)cn1 ZINC000274766372 385866001 /nfs/dbraw/zinc/86/60/01/385866001.db2.gz LIRHSAFPWMWQGL-NSHDSACASA-N 2 0 265.788 2.648 20 0 CFADRP CC/C=C\CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000681031577 542402065 /nfs/dbraw/zinc/40/20/65/542402065.db2.gz RBPBARXEBGICPB-WAYWQWQTSA-N 2 0 293.499 2.692 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000276809310 386048923 /nfs/dbraw/zinc/04/89/23/386048923.db2.gz NRUQEBKGBFDPMG-IUODEOHRSA-N 2 0 262.397 2.699 20 0 CFADRP Cc1ccc(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277021611 386109496 /nfs/dbraw/zinc/10/94/96/386109496.db2.gz ALMWKZDIULOMBA-QGZVFWFLSA-N 2 0 260.425 2.954 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000423457021 533176824 /nfs/dbraw/zinc/17/68/24/533176824.db2.gz OMJKSLSLWIDXQW-MCIONIFRSA-N 2 0 294.439 2.913 20 0 CFADRP COC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C1CCCC1 ZINC000446834332 285234900 /nfs/dbraw/zinc/23/49/00/285234900.db2.gz HGCVEQBELAYUHG-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C2CC(C(F)F)C2)CC1 ZINC000681090389 542409594 /nfs/dbraw/zinc/40/95/94/542409594.db2.gz KIVCELRFEOEPFP-UHFFFAOYSA-N 2 0 260.372 2.742 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000126712783 413019053 /nfs/dbraw/zinc/01/90/53/413019053.db2.gz SZSAAWDKEWRMES-AWEZNQCLSA-N 2 0 276.424 2.645 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000422886115 533211778 /nfs/dbraw/zinc/21/17/78/533211778.db2.gz HQOYFSRRWFMPED-HZPDHXFCSA-N 2 0 274.408 2.928 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)CCCC[NH3+])CCCC1 ZINC000422889917 533210563 /nfs/dbraw/zinc/21/05/63/533210563.db2.gz QTWFLDQIJXRLAI-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CCCCC1 ZINC000130841003 413031962 /nfs/dbraw/zinc/03/19/62/413031962.db2.gz LIXPFMGDUQWODD-HOTGVXAUSA-N 2 0 282.472 2.830 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423266957 533222417 /nfs/dbraw/zinc/22/24/17/533222417.db2.gz DMKOMVPTHAWSFZ-RYUDHWBXSA-N 2 0 297.830 2.784 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000682156546 542528698 /nfs/dbraw/zinc/52/86/98/542528698.db2.gz PXFVTVNMVCWIMS-LMSBXDPUSA-N 2 0 270.420 2.648 20 0 CFADRP C[C@H]1SCC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1C ZINC000133030876 413041134 /nfs/dbraw/zinc/04/11/34/413041134.db2.gz HBGHZGPMSDZUHN-CHWSQXEVSA-N 2 0 276.449 2.658 20 0 CFADRP CC(C)CCOC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000179404589 260046708 /nfs/dbraw/zinc/04/67/08/260046708.db2.gz QOEADZJCLWISEY-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP COc1cccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)n1 ZINC001243099961 781987031 /nfs/dbraw/zinc/98/70/31/781987031.db2.gz RSXNPXXHNLFANS-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000134093428 413045423 /nfs/dbraw/zinc/04/54/23/413045423.db2.gz GZGWCSWWUJAFGO-BBRMVZONSA-N 2 0 269.392 2.794 20 0 CFADRP COCCC[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1 ZINC000281880039 195418830 /nfs/dbraw/zinc/41/88/30/195418830.db2.gz GCCJLSDGEIEURI-INIZCTEOSA-N 2 0 282.403 2.835 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000423410829 533237470 /nfs/dbraw/zinc/23/74/70/533237470.db2.gz DQTOZBYJQKEIMD-LEUOFYLZSA-N 2 0 288.435 2.537 20 0 CFADRP COC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCCC1 ZINC000446748838 285399216 /nfs/dbraw/zinc/39/92/16/285399216.db2.gz ULFPKXLVYQVERB-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000268969925 535473902 /nfs/dbraw/zinc/47/39/02/535473902.db2.gz ZQKOFAYHCUSRKM-UHFFFAOYSA-N 2 0 289.398 2.923 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cc(C)ccc2F)CC1 ZINC000449554313 535473915 /nfs/dbraw/zinc/47/39/15/535473915.db2.gz OZVQMKQKUHUEJS-UHFFFAOYSA-N 2 0 264.388 2.751 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423357929 533288982 /nfs/dbraw/zinc/28/89/82/533288982.db2.gz IZZMWIQTQVWXBJ-PBHICJAKSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[NH3+])CCS2 ZINC000423222477 533298345 /nfs/dbraw/zinc/29/83/45/533298345.db2.gz BFUQQVXBJZUMSI-GXFFZTMASA-N 2 0 266.410 2.559 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423474389 533388573 /nfs/dbraw/zinc/38/85/73/533388573.db2.gz HHCLAKQVJFKUJZ-CXAGYDPISA-N 2 0 274.408 2.900 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000423343486 533364313 /nfs/dbraw/zinc/36/43/13/533364313.db2.gz DNEYORKWAUJMQJ-CQSZACIVSA-N 2 0 296.418 2.657 20 0 CFADRP C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422759143 533364853 /nfs/dbraw/zinc/36/48/53/533364853.db2.gz FMXKSVMACQIJEZ-LLVKDONJSA-N 2 0 264.800 2.569 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccn(C)n1 ZINC000414076750 533377765 /nfs/dbraw/zinc/37/77/65/533377765.db2.gz QKZZQJWKLIABTE-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@@H]([NH2+]CCCCc1ccc(Cl)s1)C1C[NH2+]C1 ZINC000423108328 533379645 /nfs/dbraw/zinc/37/96/45/533379645.db2.gz QYZUBNLOPONPLC-SNVBAGLBSA-N 2 0 272.845 2.922 20 0 CFADRP COc1c(O)cccc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414816053 533444163 /nfs/dbraw/zinc/44/41/63/533444163.db2.gz ZBZXHHOEVAFPFG-LBPRGKRZSA-N 2 0 286.375 2.710 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423230098 533400383 /nfs/dbraw/zinc/40/03/83/533400383.db2.gz IPCHKVPXOUQQFQ-LBDPXKHJSA-N 2 0 296.455 2.748 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357626 533400842 /nfs/dbraw/zinc/40/08/42/533400842.db2.gz MKWIMMXJROVGNS-ARFHVFGLSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423258049 533402326 /nfs/dbraw/zinc/40/23/26/533402326.db2.gz LIZKKZRKOSVQQV-CHWSQXEVSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414864527 533409014 /nfs/dbraw/zinc/40/90/14/533409014.db2.gz YSHCLJORZWTTQQ-ZMSDIMECSA-N 2 0 260.425 2.843 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422938279 533456472 /nfs/dbraw/zinc/45/64/72/533456472.db2.gz DMQMVHUBSKQTOU-WMLDXEAASA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423111806 533418109 /nfs/dbraw/zinc/41/81/09/533418109.db2.gz JIFOUSNUXZCQLG-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000415085936 533421799 /nfs/dbraw/zinc/42/17/99/533421799.db2.gz RIWMUTHTTASKNS-BZUAXINKSA-N 2 0 298.434 2.911 20 0 CFADRP COc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422728526 533476556 /nfs/dbraw/zinc/47/65/56/533476556.db2.gz AFGVNRZPLQDOLV-PBHICJAKSA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414777965 533477393 /nfs/dbraw/zinc/47/73/93/533477393.db2.gz ISBDLQYIVUOWJU-HZPDHXFCSA-N 2 0 274.408 2.517 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1nccn1-c1ccccc1 ZINC000423121473 533496632 /nfs/dbraw/zinc/49/66/32/533496632.db2.gz IKXYEUSAGHEPIQ-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1-n1cccn1 ZINC000422882837 533497119 /nfs/dbraw/zinc/49/71/19/533497119.db2.gz BCZSQOKEOLQBCH-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(-n2cccn2)cc1 ZINC000422813690 533498905 /nfs/dbraw/zinc/49/89/05/533498905.db2.gz YMFSORNCPCQPCS-MELADBBJSA-N 2 0 272.396 2.649 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000422714637 533501845 /nfs/dbraw/zinc/50/18/45/533501845.db2.gz RGMOHHCEIZXNLB-CABCVRRESA-N 2 0 280.387 2.626 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000422890809 533501998 /nfs/dbraw/zinc/50/19/98/533501998.db2.gz SZDQILORWQVEPK-DOMZBBRYSA-N 2 0 282.815 2.608 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000422925652 533506708 /nfs/dbraw/zinc/50/67/08/533506708.db2.gz BXINICMZQJUKPN-VHSXEESVSA-N 2 0 288.313 2.844 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414832690 533507214 /nfs/dbraw/zinc/50/72/14/533507214.db2.gz OPCBCMJHQPLFOB-GDBMZVCRSA-N 2 0 276.424 2.606 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1O ZINC000426423594 533507301 /nfs/dbraw/zinc/50/73/01/533507301.db2.gz ZFNZSNMMEJHTDO-KGLIPLIRSA-N 2 0 294.439 2.652 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000422713878 533537989 /nfs/dbraw/zinc/53/79/89/533537989.db2.gz KKIPYCGQCHXFQE-GJZGRUSLSA-N 2 0 275.440 2.545 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158908 533538212 /nfs/dbraw/zinc/53/82/12/533538212.db2.gz XJGKOWLYMKQSPJ-NSHDSACASA-N 2 0 288.794 2.965 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOC1CCCCCC1 ZINC000422768477 533538413 /nfs/dbraw/zinc/53/84/13/533538413.db2.gz UPYVEPZHNKMXHN-AWEZNQCLSA-N 2 0 256.434 2.833 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCSc1ccccc1 ZINC000422750406 533553855 /nfs/dbraw/zinc/55/38/55/533553855.db2.gz DCOLKRXQKQCGKZ-ZDUSSCGKSA-N 2 0 252.427 2.886 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414776312 533558251 /nfs/dbraw/zinc/55/82/51/533558251.db2.gz GZYFWYLSTXFKLK-HOTGVXAUSA-N 2 0 274.408 2.517 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000425932014 533608608 /nfs/dbraw/zinc/60/86/08/533608608.db2.gz OFNZIQHGIYZVJT-GXTWGEPZSA-N 2 0 294.439 2.861 20 0 CFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)[C@H]1C ZINC000423198051 533634196 /nfs/dbraw/zinc/63/41/96/533634196.db2.gz CQPQMUNXZHJDGW-SOUVJXGZSA-N 2 0 296.455 2.606 20 0 CFADRP c1cc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)ccn1 ZINC000347292253 285433787 /nfs/dbraw/zinc/43/37/87/285433787.db2.gz YJJKEEJWQIQKPY-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422924305 533658511 /nfs/dbraw/zinc/65/85/11/533658511.db2.gz UEFITDCIBRXJOI-PBHICJAKSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)[NH3+] ZINC000423283285 533655308 /nfs/dbraw/zinc/65/53/08/533655308.db2.gz FDXHZLLQXVCGLR-JTQLQIEISA-N 2 0 256.340 2.613 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425970857 533670546 /nfs/dbraw/zinc/67/05/46/533670546.db2.gz KDEYKJSIJNBRCO-RYQLBKOJSA-N 2 0 272.436 2.749 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414854880 533663912 /nfs/dbraw/zinc/66/39/12/533663912.db2.gz VEYYDUKYZIWVHP-GFCCVEGCSA-N 2 0 282.815 2.828 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCCF)CC1 ZINC000341876255 130102800 /nfs/dbraw/zinc/10/28/00/130102800.db2.gz YSXQGTUKDMCFDC-CALCHBBNSA-N 2 0 299.478 2.617 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000191520632 130247851 /nfs/dbraw/zinc/24/78/51/130247851.db2.gz WMRIJBIQAJUWAD-UHFFFAOYSA-N 2 0 282.378 2.971 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cc(C)ccn2)C1 ZINC000683011360 542626921 /nfs/dbraw/zinc/62/69/21/542626921.db2.gz JOFLHLMCMHRANI-OAHLLOKOSA-N 2 0 261.413 2.554 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342105236 130264576 /nfs/dbraw/zinc/26/45/76/130264576.db2.gz ODKFEHSJPXDWAN-CGTJXYLNSA-N 2 0 288.435 2.687 20 0 CFADRP Cc1ccnc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000683017802 542629419 /nfs/dbraw/zinc/62/94/19/542629419.db2.gz QVYSFQDCZHHVEV-HOCLYGCPSA-N 2 0 270.380 2.670 20 0 CFADRP FC(F)[C@@H]1C[C@@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000342185259 130320509 /nfs/dbraw/zinc/32/05/09/130320509.db2.gz CFGJWLMFFAWDDM-MNOVXSKESA-N 2 0 269.320 2.677 20 0 CFADRP Cc1[nH+]ccc(N(C)CCN2CCOC(C)(C)C2)c1Cl ZINC000355678909 130332172 /nfs/dbraw/zinc/33/21/72/130332172.db2.gz WEPNBQYOVOQNEW-UHFFFAOYSA-N 2 0 297.830 2.590 20 0 CFADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2cccc3ccccc32)CCC1 ZINC000342145909 130338501 /nfs/dbraw/zinc/33/85/01/130338501.db2.gz VQHQYWSZUPQBBG-UHFFFAOYSA-N 2 0 297.402 2.639 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401003902 285456388 /nfs/dbraw/zinc/45/63/88/285456388.db2.gz ILVMBVZQEBJVSS-COMQUAJESA-N 2 0 260.381 2.635 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@H](C(F)(F)F)C1 ZINC000683141755 542645471 /nfs/dbraw/zinc/64/54/71/542645471.db2.gz OCHUXZUNDPDDDZ-NSHDSACASA-N 2 0 252.324 2.603 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000194567431 130703924 /nfs/dbraw/zinc/70/39/24/130703924.db2.gz FTVPXXCOLNCMLQ-RDJZCZTQSA-N 2 0 278.440 2.737 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414987373 533671822 /nfs/dbraw/zinc/67/18/22/533671822.db2.gz DQYJZFJRRZMCGF-AAEUAGOBSA-N 2 0 282.815 2.956 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414831617 285479197 /nfs/dbraw/zinc/47/91/97/285479197.db2.gz NHINWQOVBUZICT-FGTMMUONSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC[N@@H+]1C ZINC000246790046 131098065 /nfs/dbraw/zinc/09/80/65/131098065.db2.gz ISYOJSWMHQVKFA-OPTNGKCXSA-N 2 0 270.420 2.645 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000249375659 131120688 /nfs/dbraw/zinc/12/06/88/131120688.db2.gz JJWKLNBAPBVZNJ-CKEIUWERSA-N 2 0 276.424 2.904 20 0 CFADRP Fc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250095572 131123966 /nfs/dbraw/zinc/12/39/66/131123966.db2.gz ZTJUYNPBGKHAFQ-GJZGRUSLSA-N 2 0 262.372 2.585 20 0 CFADRP C[NH2+]CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262417782 131219341 /nfs/dbraw/zinc/21/93/41/131219341.db2.gz RJYCPJYUKIRPJK-UHFFFAOYSA-N 2 0 289.423 2.611 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000164651026 542708503 /nfs/dbraw/zinc/70/85/03/542708503.db2.gz GRWIWFBRBAKUDT-KRWDZBQOSA-N 3 0 295.515 2.963 20 0 CFADRP c1ccc(N2CC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000683694512 542712094 /nfs/dbraw/zinc/71/20/94/542712094.db2.gz WSHSRXPHKPYZMZ-KRWDZBQOSA-N 2 0 299.462 2.729 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000268734839 132057941 /nfs/dbraw/zinc/05/79/41/132057941.db2.gz NQCDAIIWDQGHJA-HUUCEWRRSA-N 2 0 276.424 2.795 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000268746853 132060778 /nfs/dbraw/zinc/06/07/78/132060778.db2.gz AWHCDPZLGSZUAG-ZIAGYGMSSA-N 2 0 274.408 2.709 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268813951 132069964 /nfs/dbraw/zinc/06/99/64/132069964.db2.gz PFCLQMHVXCJZHT-YCPHGPKFSA-N 2 0 276.424 2.934 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268813945 132069970 /nfs/dbraw/zinc/06/99/70/132069970.db2.gz PFCLQMHVXCJZHT-DZKIICNBSA-N 2 0 276.424 2.934 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1F ZINC000268876611 132082242 /nfs/dbraw/zinc/08/22/42/132082242.db2.gz HASNCMRLUCFQLG-LSDHHAIUSA-N 2 0 294.414 2.713 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000268894823 132084686 /nfs/dbraw/zinc/08/46/86/132084686.db2.gz ANYYDOGUMFTFIC-STQMWFEESA-N 2 0 299.846 2.742 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927692 542745626 /nfs/dbraw/zinc/74/56/26/542745626.db2.gz SLFISJAYUMQOGD-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)CN(CCn1ccnc1)CC3 ZINC000372318179 393446610 /nfs/dbraw/zinc/44/66/10/393446610.db2.gz FXXXYIMSKOHDFZ-UHFFFAOYSA-N 2 0 280.375 2.731 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746854 393543764 /nfs/dbraw/zinc/54/37/64/393543764.db2.gz HHSGFUQGYQOXEG-XYPWUTKMSA-N 2 0 292.398 2.809 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000379021225 393550287 /nfs/dbraw/zinc/55/02/87/393550287.db2.gz BEHZATUXTWRCHN-QZTJIDSGSA-N 2 0 288.435 2.838 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379185904 393551843 /nfs/dbraw/zinc/55/18/43/393551843.db2.gz HMFJQMUCBSBBRM-KZNAEPCWSA-N 2 0 288.435 2.838 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379185900 393551974 /nfs/dbraw/zinc/55/19/74/393551974.db2.gz HMFJQMUCBSBBRM-FGTMMUONSA-N 2 0 288.435 2.838 20 0 CFADRP CCC[C@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)OC ZINC000385954495 393585617 /nfs/dbraw/zinc/58/56/17/393585617.db2.gz AGSQTYUDBOVUCO-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000386488420 393587391 /nfs/dbraw/zinc/58/73/91/393587391.db2.gz TYRKBSITWCOYQL-ZWKOTPCHSA-N 2 0 290.451 2.913 20 0 CFADRP Cn1nc(C[NH2+]C(C)(C)CCC[NH+](C)C)c2ccccc21 ZINC000387354760 393590812 /nfs/dbraw/zinc/59/08/12/393590812.db2.gz STWIJDHVBQZOBP-UHFFFAOYSA-N 2 0 288.439 2.783 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C1C[NH2+]C1)CC3 ZINC000335562259 393679456 /nfs/dbraw/zinc/67/94/56/393679456.db2.gz ATPSSLSKQQCOMW-TZMCWYRMSA-N 2 0 283.419 2.531 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403364744 393613002 /nfs/dbraw/zinc/61/30/02/393613002.db2.gz NIGKFRACGDBLKN-OAGGEKHMSA-N 2 0 250.430 2.744 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccns1 ZINC000404417637 393618641 /nfs/dbraw/zinc/61/86/41/393618641.db2.gz PGQPAEXAZOXNFZ-LBPRGKRZSA-N 2 0 255.431 2.743 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc(Br)s2)C[C@@H]1[NH3+] ZINC000404786329 393621723 /nfs/dbraw/zinc/62/17/23/393621723.db2.gz YLHPCQXUXMHTBT-DTWKUNHWSA-N 2 0 289.242 2.726 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000404786333 393621760 /nfs/dbraw/zinc/62/17/60/393621760.db2.gz YLHPCQXUXMHTBT-RKDXNWHRSA-N 2 0 289.242 2.726 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000405034317 393622942 /nfs/dbraw/zinc/62/29/42/393622942.db2.gz WJBFVUXATIIHFR-KBAYOESNSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335026838 393635805 /nfs/dbraw/zinc/63/58/05/393635805.db2.gz BHXVEJOOADTMBQ-ZBEGNZNMSA-N 2 0 262.372 2.791 20 0 CFADRP COCC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411189676 393682537 /nfs/dbraw/zinc/68/25/37/393682537.db2.gz TVGUHHUGYNZDNX-UHFFFAOYSA-N 2 0 276.424 2.751 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000071206194 393639690 /nfs/dbraw/zinc/63/96/90/393639690.db2.gz FNVNMTUFJNYXQN-CJNGLKHVSA-N 2 0 259.397 2.829 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000335599871 393683141 /nfs/dbraw/zinc/68/31/41/393683141.db2.gz SSLLTUPHYREWGU-AWEZNQCLSA-N 2 0 257.381 2.872 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000193426313 393651018 /nfs/dbraw/zinc/65/10/18/393651018.db2.gz LKHYNFMZFFXLDT-QILLFSRXSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000335250889 393655130 /nfs/dbraw/zinc/65/51/30/393655130.db2.gz URMNLNWFQCKXJL-IRXDYDNUSA-N 2 0 287.451 2.587 20 0 CFADRP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1C ZINC000194233947 393684206 /nfs/dbraw/zinc/68/42/06/393684206.db2.gz XUHNUHGNTATBGL-CQSZACIVSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCC1(F)F ZINC000336499085 393738461 /nfs/dbraw/zinc/73/84/61/393738461.db2.gz QAOLUYRDYVSCMU-OLZOCXBDSA-N 2 0 260.372 2.838 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000336647847 393744730 /nfs/dbraw/zinc/74/47/30/393744730.db2.gz BHFOVXRXNVLFPM-UPJWGTAASA-N 2 0 260.372 2.884 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C12CCCC2 ZINC000085680777 393752810 /nfs/dbraw/zinc/75/28/10/393752810.db2.gz CWJHJHVKEDYOQV-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](O)CC[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411310063 393697804 /nfs/dbraw/zinc/69/78/04/393697804.db2.gz KTSXUKRGKNGOLP-MRXNPFEDSA-N 2 0 290.451 2.875 20 0 CFADRP Fc1cc(F)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000335967611 393711499 /nfs/dbraw/zinc/71/14/99/393711499.db2.gz HIWKBKPDKZQCLQ-OAHLLOKOSA-N 2 0 266.335 2.540 20 0 CFADRP CC(C)[C@@H](CO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411506675 393718787 /nfs/dbraw/zinc/71/87/87/393718787.db2.gz OULLCXBYANRAQV-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP C[N@H+](CCCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411613777 393730587 /nfs/dbraw/zinc/73/05/87/393730587.db2.gz DGYZIWIYTBJSOW-UHFFFAOYSA-N 2 0 290.451 2.877 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000222899217 393764114 /nfs/dbraw/zinc/76/41/14/393764114.db2.gz VFVZZYUJSCCDMH-KURKYZTESA-N 2 0 287.451 2.683 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229644760 393777434 /nfs/dbraw/zinc/77/74/34/393777434.db2.gz OKMNLXFLZIXRLT-AWEZNQCLSA-N 2 0 257.381 2.599 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)OC ZINC000412978409 393777553 /nfs/dbraw/zinc/77/75/53/393777553.db2.gz PRSYGDFUQZSWDQ-IXDOHACOSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000229644684 393777594 /nfs/dbraw/zinc/77/75/94/393777594.db2.gz KPTQCZFFEKZEJN-UHFFFAOYSA-N 2 0 257.381 2.599 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000090720666 393781444 /nfs/dbraw/zinc/78/14/44/393781444.db2.gz GGXPJCAMFCUKKA-DZGCQCFKSA-N 2 0 269.392 2.807 20 0 CFADRP [NH3+]CCC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000424339840 393836131 /nfs/dbraw/zinc/83/61/31/393836131.db2.gz WVJYVVCWMXQMCZ-UHFFFAOYSA-N 2 0 279.453 2.550 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)on1 ZINC000414717449 393803539 /nfs/dbraw/zinc/80/35/39/393803539.db2.gz ZLGOBUBSGDDOOH-YUTCNCBUSA-N 2 0 263.385 2.508 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414800652 393805340 /nfs/dbraw/zinc/80/53/40/393805340.db2.gz SKVPVTHMRNCOJR-HBNTYKKESA-N 2 0 252.324 2.680 20 0 CFADRP CC(C)C[C@@H](C[NH3+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000414831641 393806114 /nfs/dbraw/zinc/80/61/14/393806114.db2.gz CTMISWNXRYSSMK-SFHVURJKSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1N(C)C ZINC000093944924 393806526 /nfs/dbraw/zinc/80/65/26/393806526.db2.gz KNKKDEFQJJMTJI-GJZGRUSLSA-N 2 0 275.440 2.745 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](C)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424265869 393806774 /nfs/dbraw/zinc/80/67/74/393806774.db2.gz KIWBHXUFEWXKJP-FIDHJVLJSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000414865797 393806953 /nfs/dbraw/zinc/80/69/53/393806953.db2.gz ZURIYCHCCUSYMR-RRQGHBQHSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H](C[NH+]1CCC([N@H+](C)CCO)CC1)C1CCCCC1 ZINC000338973970 393807472 /nfs/dbraw/zinc/80/74/72/393807472.db2.gz METZLOYHWHPPBW-OAHLLOKOSA-N 2 0 282.472 2.591 20 0 CFADRP CCC1(C)CCC([NH2+]C[C@]2(COC)CCC[NH2+]2)CC1 ZINC000414944424 393807953 /nfs/dbraw/zinc/80/79/53/393807953.db2.gz OATGGRMLXYYDNI-GPANFISMSA-N 2 0 268.445 2.704 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C2 ZINC000414902860 393808166 /nfs/dbraw/zinc/80/81/66/393808166.db2.gz IRSGQTCQBOKUMX-HUUCEWRRSA-N 2 0 264.800 2.539 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3N(C)CCCC3(C)C)C[C@H]2C1 ZINC000424347681 393837897 /nfs/dbraw/zinc/83/78/97/393837897.db2.gz KZIYXTCFJOABBL-BPKGMFCQSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000415039354 393810384 /nfs/dbraw/zinc/81/03/84/393810384.db2.gz NXZVBMWBBYQTTE-AHCXZYCDSA-N 3 0 293.499 2.747 20 0 CFADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415033486 393810466 /nfs/dbraw/zinc/81/04/66/393810466.db2.gz ITJDCLCESDSRKG-AALSBFMBSA-N 2 0 276.811 2.784 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000415061177 393810827 /nfs/dbraw/zinc/81/08/27/393810827.db2.gz YCYGPQUMEPBAIC-BNEJOAPWSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060744 393811341 /nfs/dbraw/zinc/81/13/41/393811341.db2.gz XLJCYEHVUQDTCR-KNXWPPODSA-N 2 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424283533 393813605 /nfs/dbraw/zinc/81/36/05/393813605.db2.gz BAHIMJKWFURXAS-QCEMKRCNSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424288128 393814617 /nfs/dbraw/zinc/81/46/17/393814617.db2.gz KHUDCCALNFYKNY-HUUCEWRRSA-N 2 0 262.397 2.542 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccccc1F)CC[NH2+]CC2 ZINC000424302331 393817621 /nfs/dbraw/zinc/81/76/21/393817621.db2.gz ZEZOQFQWMKTRQM-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245694099 393823072 /nfs/dbraw/zinc/82/30/72/393823072.db2.gz QPBJIEHDFQNPEO-RHSMWYFYSA-N 2 0 258.409 2.918 20 0 CFADRP C[N@H+]1CC=C(CNc2cc[nH+]c3c(O)cccc23)CC1 ZINC000684580887 542831727 /nfs/dbraw/zinc/83/17/27/542831727.db2.gz MSFFYKRGCJKNMM-UHFFFAOYSA-N 2 0 269.348 2.614 20 0 CFADRP c1cnc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000106868514 393868884 /nfs/dbraw/zinc/86/88/84/393868884.db2.gz XFPAKYAJLLSZAC-DLBZAZTESA-N 2 0 281.403 2.951 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000425352866 393877621 /nfs/dbraw/zinc/87/76/21/393877621.db2.gz IHIKSJPCAOKARB-HZSPNIEDSA-N 2 0 256.459 2.735 20 0 CFADRP CN(CC1([NH+](C)C)CCC1)c1cc[nH+]c2c(O)cccc12 ZINC000684588907 542832400 /nfs/dbraw/zinc/83/24/00/542832400.db2.gz SAVRPAAGJRTICH-UHFFFAOYSA-N 2 0 285.391 2.861 20 0 CFADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246983690 393891077 /nfs/dbraw/zinc/89/10/77/393891077.db2.gz WAUFAGPPOOWYDW-OFQRWUPVSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247228755 393894436 /nfs/dbraw/zinc/89/44/36/393894436.db2.gz YEOCACBFDPXBKK-YVSFHVDLSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367367 393840134 /nfs/dbraw/zinc/84/01/34/393840134.db2.gz LQVIFNJLXJCJEA-IACUBPJLSA-N 2 0 252.427 2.929 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000424367817 393840483 /nfs/dbraw/zinc/84/04/83/393840483.db2.gz NYVAYQSFDNWJNO-HUUCEWRRSA-N 2 0 264.438 2.779 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC([NH+]2CCCC2)CC1 ZINC000340289871 393841066 /nfs/dbraw/zinc/84/10/66/393841066.db2.gz ZTIXSMUVBMULMX-GOSISDBHSA-N 2 0 293.499 2.810 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424380380 393841791 /nfs/dbraw/zinc/84/17/91/393841791.db2.gz XBXUEHVZBDVDJW-KLHDSHLOSA-N 2 0 296.455 2.748 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000424382125 393841854 /nfs/dbraw/zinc/84/18/54/393841854.db2.gz ZVWXLOFFHVPQPR-BZZMCLGOSA-N 2 0 287.451 2.509 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381027 393842007 /nfs/dbraw/zinc/84/20/07/393842007.db2.gz YBQGZWPNPDEGSP-FVQBIDKESA-N 2 0 261.413 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000340482106 393843769 /nfs/dbraw/zinc/84/37/69/393843769.db2.gz DTTJAHSDYWXQPX-SIXLDLHFSA-N 2 0 258.409 2.720 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345715174 393914177 /nfs/dbraw/zinc/91/41/77/393914177.db2.gz MBCBYNKXRIDZOP-DOTOQJQBSA-N 2 0 297.487 2.522 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246290118 393859446 /nfs/dbraw/zinc/85/94/46/393859446.db2.gz CHOISMACDMLXIM-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345718625 393915410 /nfs/dbraw/zinc/91/54/10/393915410.db2.gz SVVHCEFVHNPBNV-ZMSDIMECSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000248896755 393917366 /nfs/dbraw/zinc/91/73/66/393917366.db2.gz JVIUSJXCMZVBFQ-OAGGEKHMSA-N 2 0 266.429 2.504 20 0 CFADRP C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]2CCCO[C@@H]12 ZINC000250070196 393927072 /nfs/dbraw/zinc/92/70/72/393927072.db2.gz NUSBMGKDQFVLLR-KSZLIROESA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000475155775 393952298 /nfs/dbraw/zinc/95/22/98/393952298.db2.gz KLKIMWYEEDZWSA-KZNAEPCWSA-N 2 0 296.499 2.884 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000346880138 393933402 /nfs/dbraw/zinc/93/34/02/393933402.db2.gz MSVPTDPHLASICP-OXGONZEZSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000417366035 393951021 /nfs/dbraw/zinc/95/10/21/393951021.db2.gz OKWJGINWRGPKDK-XMTFNYHQSA-N 2 0 286.419 2.720 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)C1 ZINC000429022023 393935281 /nfs/dbraw/zinc/93/52/81/393935281.db2.gz RBPIECLDDHGQCB-BZSNNMDCSA-N 2 0 270.420 2.818 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C1 ZINC000346995910 393935779 /nfs/dbraw/zinc/93/57/79/393935779.db2.gz VQJCXFQGTCSFNW-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000429056671 393937331 /nfs/dbraw/zinc/93/73/31/393937331.db2.gz SXGOJXMQEDJOIZ-HDICACEKSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[N@H+](C[C@@H](C)CC1CCOCC1)C1CC[NH2+]CC1 ZINC000347151326 393937621 /nfs/dbraw/zinc/93/76/21/393937621.db2.gz ARBJUFJYMVUYMO-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000252869444 393938989 /nfs/dbraw/zinc/93/89/89/393938989.db2.gz RYDFLHNDXXDVRI-YXMSTPNBSA-N 2 0 250.430 2.872 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474462913 393944041 /nfs/dbraw/zinc/94/40/41/393944041.db2.gz WMDLHZAJXFWEER-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000487644386 394016493 /nfs/dbraw/zinc/01/64/93/394016493.db2.gz UEFKKEKQXVYQOM-KBPBESRZSA-N 2 0 269.392 2.941 20 0 CFADRP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475348626 393953937 /nfs/dbraw/zinc/95/39/37/393953937.db2.gz FJQIYOSFNJQBQF-LEUOFYLZSA-N 2 0 270.420 2.706 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CCN1Cc1ccccc1 ZINC000417415268 393958310 /nfs/dbraw/zinc/95/83/10/393958310.db2.gz YWHFOOGOQJIFDG-SPUZQDLCSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477925768 393965685 /nfs/dbraw/zinc/96/56/85/393965685.db2.gz JJHKVEAOYRYUDE-VDHUWJSZSA-N 2 0 288.435 2.694 20 0 CFADRP CCC1(C)CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000349383529 393969047 /nfs/dbraw/zinc/96/90/47/393969047.db2.gz VEMYUOBWZOASCK-WWDZGPRUSA-N 2 0 295.515 2.961 20 0 CFADRP CCOc1ccc(CNCC(C)(C)C[NH+](C)C)cc1F ZINC000486946308 393973667 /nfs/dbraw/zinc/97/36/67/393973667.db2.gz ZSORNZNZDXURNW-UHFFFAOYSA-N 2 0 282.403 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123645134 393985424 /nfs/dbraw/zinc/98/54/24/393985424.db2.gz DHQJVGXUOULVAD-RKVPGOIHSA-N 3 0 289.467 2.567 20 0 CFADRP CSc1ccc(OCC[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430548010 393991786 /nfs/dbraw/zinc/99/17/86/393991786.db2.gz VQHZOGKXDMFQDU-UHFFFAOYSA-N 2 0 282.453 2.704 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccs1 ZINC000268905433 393995918 /nfs/dbraw/zinc/99/59/18/393995918.db2.gz LTGUMZSLFRMFIR-KBPBESRZSA-N 2 0 282.453 2.636 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C/C=C\c2ccncc2)CC1 ZINC000487307968 393996120 /nfs/dbraw/zinc/99/61/20/393996120.db2.gz RVXRTYLLIOLKKF-ARJAWSKDSA-N 2 0 273.424 2.806 20 0 CFADRP [NH3+]CCCOC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000430598254 393997776 /nfs/dbraw/zinc/99/77/76/393997776.db2.gz SGSMVTKCUVHCFO-QGZVFWFLSA-N 2 0 292.398 2.643 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC000430620013 393999127 /nfs/dbraw/zinc/99/91/27/393999127.db2.gz BQJWLIYWFOJJMG-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc2)n1 ZINC000430639951 394001996 /nfs/dbraw/zinc/00/19/96/394001996.db2.gz QIEBCVBRNVDYKP-KRWDZBQOSA-N 2 0 298.434 2.660 20 0 CFADRP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000125270648 394004750 /nfs/dbraw/zinc/00/47/50/394004750.db2.gz OFLNSCYGTXVJGK-SFHVURJKSA-N 2 0 293.499 2.670 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000430726531 394006523 /nfs/dbraw/zinc/00/65/23/394006523.db2.gz WKGHYFUSQZVECH-LZLYRXPVSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC(O)CC2)C1 ZINC000354215933 394044065 /nfs/dbraw/zinc/04/40/65/394044065.db2.gz KNJWQICPFGLKNB-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000274874618 394045599 /nfs/dbraw/zinc/04/55/99/394045599.db2.gz GIIUCUVOIFOWOY-RHSMWYFYSA-N 2 0 271.408 2.843 20 0 CFADRP CC(C)[C@@H](C[NH2+]CCC1CCCCC1)N1CC[NH+](C)CC1 ZINC000127350461 394048212 /nfs/dbraw/zinc/04/82/12/394048212.db2.gz LIHAQBXYGOSIDS-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000127901602 394058395 /nfs/dbraw/zinc/05/83/95/394058395.db2.gz KHVOYJIHXLTWRQ-UONOGXRCSA-N 2 0 264.388 2.861 20 0 CFADRP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000278848112 394064465 /nfs/dbraw/zinc/06/44/65/394064465.db2.gz XBCAZLXYMDAOEF-OKILXGFUSA-N 2 0 267.376 2.541 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000279830796 394069087 /nfs/dbraw/zinc/06/90/87/394069087.db2.gz YZBKIORUNXAPQH-DAYGRLMNSA-N 2 0 288.435 2.837 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128416875 394069788 /nfs/dbraw/zinc/06/97/88/394069788.db2.gz QPNNJYOSEJLPPB-MSOLQXFVSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCSc2ccccc2)CN1C1CC1 ZINC000128563211 394072498 /nfs/dbraw/zinc/07/24/98/394072498.db2.gz QTQCNUTYCUATFK-UONOGXRCSA-N 2 0 276.449 2.994 20 0 CFADRP CC(=O)Nc1cccc(CN(C)CCC[NH+]2CCCC2)c1 ZINC000281261090 394076452 /nfs/dbraw/zinc/07/64/52/394076452.db2.gz HKTKRCKYRJRYHG-UHFFFAOYSA-N 2 0 289.423 2.563 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCOC1 ZINC000356825907 394081344 /nfs/dbraw/zinc/08/13/44/394081344.db2.gz AYGZEALXRIEVQJ-IKGGRYGDSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353515238 394031574 /nfs/dbraw/zinc/03/15/74/394031574.db2.gz CXHPGRAPSIPXKJ-ILOCAZANSA-N 2 0 293.499 2.712 20 0 CFADRP C[NH2+]CCN(C)c1cc(C)[nH+]c2ccc(OC(F)F)cc21 ZINC000420226810 394099911 /nfs/dbraw/zinc/09/99/11/394099911.db2.gz MNIZZLRVXUPORV-UHFFFAOYSA-N 2 0 295.333 2.800 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000353559167 394032331 /nfs/dbraw/zinc/03/23/31/394032331.db2.gz ZOLGNIOALKECKY-UAGQMJEPSA-N 2 0 258.409 2.674 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282026807 394113023 /nfs/dbraw/zinc/11/30/23/394113023.db2.gz SRVDTOWJKGYKMA-CABCVRRESA-N 2 0 297.446 2.957 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420296358 394117022 /nfs/dbraw/zinc/11/70/22/394117022.db2.gz DJTNHFFDRBAVPM-ZJIFWQFVSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420382549 394118066 /nfs/dbraw/zinc/11/80/66/394118066.db2.gz PXRTUZDPMKYSSZ-SJORKVTESA-N 2 0 299.422 2.525 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000420382098 394118094 /nfs/dbraw/zinc/11/80/94/394118094.db2.gz YDWLMDMOIZMOLG-OAHLLOKOSA-N 2 0 291.439 2.725 20 0 CFADRP Fc1cc(F)c2c(c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420364444 394118631 /nfs/dbraw/zinc/11/86/31/394118631.db2.gz CWPSVZTVHHQFGI-GFCCVEGCSA-N 2 0 280.362 2.713 20 0 CFADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420383763 394119492 /nfs/dbraw/zinc/11/94/92/394119492.db2.gz ZZGVEHPFBBIHKZ-JLJPHGGASA-N 2 0 276.424 2.858 20 0 CFADRP C[C@H]1CC[N@H+](CCOC2CCCCCC2)C[C@H]1C[NH3+] ZINC000420410155 394119556 /nfs/dbraw/zinc/11/95/56/394119556.db2.gz RDCKQYJQAHFPDM-LSDHHAIUSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420919480 394126148 /nfs/dbraw/zinc/12/61/48/394126148.db2.gz ZJMCGNHBEKSDDU-CVEARBPZSA-N 2 0 288.435 2.749 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1)CC1CC1 ZINC000420937325 394131141 /nfs/dbraw/zinc/13/11/41/394131141.db2.gz LEHZYAFOCRMONE-HDICACEKSA-N 2 0 294.483 2.591 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@@H](O)c2ccccc2)CC1 ZINC000286028088 394181146 /nfs/dbraw/zinc/18/11/46/394181146.db2.gz PREVHQHZCMAOSP-GOSISDBHSA-N 2 0 290.451 2.915 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000361027784 394163013 /nfs/dbraw/zinc/16/30/13/394163013.db2.gz ZRXZMDRPBGSBLE-CABCVRRESA-N 2 0 282.472 2.900 20 0 CFADRP CO[C@@]1(C)CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000361409791 394172857 /nfs/dbraw/zinc/17/28/57/394172857.db2.gz IZHDRZDNKWUODD-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000422766631 394255668 /nfs/dbraw/zinc/25/56/68/394255668.db2.gz MABLNYCPXPNPJH-HZSPNIEDSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000422817259 394256190 /nfs/dbraw/zinc/25/61/90/394256190.db2.gz HDBVRMWSFGOHIQ-JBLDHEPKSA-N 2 0 264.335 2.553 20 0 CFADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000422862527 394256261 /nfs/dbraw/zinc/25/62/61/394256261.db2.gz PYRYOQJQKFSROF-MORSLUCNSA-N 2 0 285.435 2.738 20 0 CFADRP Cc1cccc2ncc(C[NH2+]C3CCC([NH+](C)C)CC3)n21 ZINC000421371118 394206712 /nfs/dbraw/zinc/20/67/12/394206712.db2.gz JXYRONDORKOWFG-UHFFFAOYSA-N 2 0 286.423 2.605 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449110559 394216287 /nfs/dbraw/zinc/21/62/87/394216287.db2.gz DXSJQUFLOKEZCH-CQSZACIVSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150962369 394257082 /nfs/dbraw/zinc/25/70/82/394257082.db2.gz OPJLTSSTMLQZLN-INIZCTEOSA-N 2 0 281.488 2.737 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC[C@H](O)c2ccccc2)CC1 ZINC000289838276 394222542 /nfs/dbraw/zinc/22/25/42/394222542.db2.gz ATLUJRFYSSATKY-SFHVURJKSA-N 2 0 290.451 2.916 20 0 CFADRP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000364621553 394223121 /nfs/dbraw/zinc/22/31/21/394223121.db2.gz VWUQWAZWZOPKLC-MRXNPFEDSA-N 2 0 266.429 2.507 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449130753 394223264 /nfs/dbraw/zinc/22/32/64/394223264.db2.gz HQDUOVSMHCBTMI-SJLPKXTDSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449131929 394223519 /nfs/dbraw/zinc/22/35/19/394223519.db2.gz QKQYGUJZURBQAT-HNNXBMFYSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000422900530 394257457 /nfs/dbraw/zinc/25/74/57/394257457.db2.gz JNLWMZZXROWXCC-XJNFMUPTSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000449133486 394224645 /nfs/dbraw/zinc/22/46/45/394224645.db2.gz DKVYPXUHOCULGQ-KSZLIROESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000449142911 394228149 /nfs/dbraw/zinc/22/81/49/394228149.db2.gz PAMZGDSIVHCEEK-AGIUHOORSA-N 2 0 258.475 2.694 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888780 394257831 /nfs/dbraw/zinc/25/78/31/394257831.db2.gz NVQRTLNWAHFUPR-NONVJHHQSA-N 2 0 287.451 2.984 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000449149143 394229556 /nfs/dbraw/zinc/22/95/56/394229556.db2.gz MFOZCPKBQXLAMW-CABCVRRESA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422897346 394257979 /nfs/dbraw/zinc/25/79/79/394257979.db2.gz ZQRLMKHFLDESCG-KWXGJIJISA-N 2 0 294.483 2.948 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422910236 394258002 /nfs/dbraw/zinc/25/80/02/394258002.db2.gz PWSYRXRRDHRLJC-UKPHBRMFSA-N 2 0 258.409 2.694 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000422946230 394258943 /nfs/dbraw/zinc/25/89/43/394258943.db2.gz OJXINWCIYBFPOZ-ZFWWWQNUSA-N 2 0 282.815 2.671 20 0 CFADRP Cc1c[nH+]ccc1N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000366428204 394243383 /nfs/dbraw/zinc/24/33/83/394243383.db2.gz HWWUYBZMFNHCEL-CQSZACIVSA-N 2 0 259.397 2.843 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000449190665 394248111 /nfs/dbraw/zinc/24/81/11/394248111.db2.gz NGELINRAAMKMFR-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CSCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367621779 394259330 /nfs/dbraw/zinc/25/93/30/394259330.db2.gz UACSGYRGRSURKV-ZNMIVQPWSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449230534 394259418 /nfs/dbraw/zinc/25/94/18/394259418.db2.gz KVXBQHPRADBMSM-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCCCN1C1CC1 ZINC000367078267 394251177 /nfs/dbraw/zinc/25/11/77/394251177.db2.gz PIJVZZGEIVVFQU-HZPDHXFCSA-N 2 0 278.440 2.552 20 0 CFADRP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCCCN1C1CC1 ZINC000367078265 394251439 /nfs/dbraw/zinc/25/14/39/394251439.db2.gz PIJVZZGEIVVFQU-CVEARBPZSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000422754424 394254506 /nfs/dbraw/zinc/25/45/06/394254506.db2.gz FWHAZZXYXWDSNA-NXEZZACHSA-N 2 0 271.202 2.665 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H](C)O1 ZINC000449218430 394254723 /nfs/dbraw/zinc/25/47/23/394254723.db2.gz ICIMPAJSFBKRQK-VKJFTORMSA-N 2 0 288.435 2.938 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000133989362 394186798 /nfs/dbraw/zinc/18/67/98/394186798.db2.gz CHCKUFGNIIKBKX-HZPDHXFCSA-N 2 0 268.445 2.537 20 0 CFADRP c1cc(C[NH2+]CCCC[NH+]2CCOCC2)cc(C2CC2)c1 ZINC000421331433 394189347 /nfs/dbraw/zinc/18/93/47/394189347.db2.gz JSLJSSYUVVLQQW-UHFFFAOYSA-N 2 0 288.435 2.766 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421334104 394190181 /nfs/dbraw/zinc/19/01/81/394190181.db2.gz PJIMHJZLOXRKRO-UHFFFAOYSA-N 2 0 276.424 2.622 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000422807969 394255278 /nfs/dbraw/zinc/25/52/78/394255278.db2.gz KQTMGPNMSAUASB-IXDOHACOSA-N 2 0 274.408 2.926 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422768001 394255367 /nfs/dbraw/zinc/25/53/67/394255367.db2.gz TYULXJVPEVYEHT-NWINJMCUSA-N 2 0 256.459 2.768 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000422807970 394255450 /nfs/dbraw/zinc/25/54/50/394255450.db2.gz KQTMGPNMSAUASB-ULQDDVLXSA-N 2 0 274.408 2.926 20 0 CFADRP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422987190 394260087 /nfs/dbraw/zinc/26/00/87/394260087.db2.gz FRIQIYXTIJGZFL-ILXRZTDVSA-N 2 0 296.480 2.990 20 0 CFADRP CC(C)C1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422989581 394260254 /nfs/dbraw/zinc/26/02/54/394260254.db2.gz LWPRYYUEHLKNMZ-BFHKSVSOSA-N 2 0 282.472 2.791 20 0 CFADRP CC[C@H](NC[C@@H]1CCCC[N@@H+]1CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422992466 394260284 /nfs/dbraw/zinc/26/02/84/394260284.db2.gz COJVIHVJHGISTF-ULQDDVLXSA-N 2 0 281.488 2.617 20 0 CFADRP CSc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000291790742 394260471 /nfs/dbraw/zinc/26/04/71/394260471.db2.gz WCWCSXYBGPARLH-GFCCVEGCSA-N 2 0 252.427 2.696 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151138726 394260793 /nfs/dbraw/zinc/26/07/93/394260793.db2.gz SMIDXJWHVYGCSY-AHCXZYCDSA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423033249 394261221 /nfs/dbraw/zinc/26/12/21/394261221.db2.gz ZIJYPKAJOVETCH-CVSAEHQPSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1(C)C ZINC000423045195 394262165 /nfs/dbraw/zinc/26/21/65/394262165.db2.gz CMEGHLSFHSYUDR-CBBWQLFWSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC12CCCC2 ZINC000423077981 394265517 /nfs/dbraw/zinc/26/55/17/394265517.db2.gz UYJPQPHHHFUJDQ-NUEKZKHPSA-N 2 0 258.409 2.867 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423083215 394266646 /nfs/dbraw/zinc/26/66/46/394266646.db2.gz FPLYZXUCFASGMI-YQQAZPJKSA-N 2 0 278.440 2.740 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423083615 394266933 /nfs/dbraw/zinc/26/69/33/394266933.db2.gz GDZOPIOOWDOCRE-IKGGRYGDSA-N 2 0 287.451 2.841 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423083714 394267264 /nfs/dbraw/zinc/26/72/64/394267264.db2.gz GLGNLFBCPLMSGD-GOEBONIOSA-N 2 0 280.387 2.547 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423083942 394267707 /nfs/dbraw/zinc/26/77/07/394267707.db2.gz GORPNNYOYKHATJ-OAHLLOKOSA-N 2 0 275.440 2.620 20 0 CFADRP c1ccc(N2CCC(C[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000423084353 394267830 /nfs/dbraw/zinc/26/78/30/394267830.db2.gz HTCSVOXBPMMHNO-QGZVFWFLSA-N 2 0 287.451 2.635 20 0 CFADRP CCO[C@H](C[NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000423088714 394268218 /nfs/dbraw/zinc/26/82/18/394268218.db2.gz QUQDWMULQDFVLO-GOEBONIOSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423087758 394268330 /nfs/dbraw/zinc/26/83/30/394268330.db2.gz QGWJCSPOBQZOCY-RCCFBDPRSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1C[NH2+]C1 ZINC000423092429 394269143 /nfs/dbraw/zinc/26/91/43/394269143.db2.gz BVKHHGJGFFHZQU-WBIUFABUSA-N 2 0 264.800 2.784 20 0 CFADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000423092982 394269289 /nfs/dbraw/zinc/26/92/89/394269289.db2.gz FCUCNSWYILNIKM-DAXOMENPSA-N 2 0 280.362 2.943 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092137 394269646 /nfs/dbraw/zinc/26/96/46/394269646.db2.gz ARYSOJXZWVRTTM-RCBQFDQVSA-N 2 0 298.377 2.554 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423093133 394270427 /nfs/dbraw/zinc/27/04/27/394270427.db2.gz FXQLHIYAHGQSLZ-FBUXBERBSA-N 2 0 266.335 2.680 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149165 394271969 /nfs/dbraw/zinc/27/19/69/394271969.db2.gz XGZSSUYHCUOVBL-JYYAWHABSA-N 2 0 290.382 2.723 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCCCC1 ZINC000423179905 394272858 /nfs/dbraw/zinc/27/28/58/394272858.db2.gz MYAVLSUROPGXTG-BZUAXINKSA-N 2 0 280.456 2.833 20 0 CFADRP C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423172239 394272874 /nfs/dbraw/zinc/27/28/74/394272874.db2.gz RXHYAARPPLBECB-YWPUVAFDSA-N 2 0 260.372 2.931 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423173751 394272899 /nfs/dbraw/zinc/27/28/99/394272899.db2.gz ZYVFJHCWCIXGOJ-WCVJEAGWSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H](C)C2 ZINC000423209289 394273370 /nfs/dbraw/zinc/27/33/70/394273370.db2.gz IXOZUYCMNTUUDI-JJRVBVJISA-N 2 0 258.409 2.818 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423215552 394273543 /nfs/dbraw/zinc/27/35/43/394273543.db2.gz QUOINKURLVCKSX-PBHICJAKSA-N 2 0 258.409 2.962 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423243057 394274011 /nfs/dbraw/zinc/27/40/11/394274011.db2.gz MPTXQRRNWRCZDQ-QGTPRVQTSA-N 2 0 289.467 2.788 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423226038 394274332 /nfs/dbraw/zinc/27/43/32/394274332.db2.gz PEXPUCNRNZZKSQ-CBAPKCEASA-N 2 0 289.242 2.825 20 0 CFADRP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCCN1CCCO ZINC000449386965 394274793 /nfs/dbraw/zinc/27/47/93/394274793.db2.gz KEXHROHXIJDBDG-KRWDZBQOSA-N 2 0 284.488 2.884 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256432 394274889 /nfs/dbraw/zinc/27/48/89/394274889.db2.gz BXWWWOSQYOXCRU-ZOBUZTSGSA-N 2 0 276.424 2.742 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261404 394275168 /nfs/dbraw/zinc/27/51/68/394275168.db2.gz SEGKVDNIGFPXRY-NHYWBVRUSA-N 2 0 280.362 2.931 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423318317 394276974 /nfs/dbraw/zinc/27/69/74/394276974.db2.gz DPUNYDBXXGHMHQ-NHYWBVRUSA-N 2 0 262.372 2.920 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423371113 394278911 /nfs/dbraw/zinc/27/89/11/394278911.db2.gz AJOZWDKSHDOUCK-YLFCFFPRSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000369225919 394279328 /nfs/dbraw/zinc/27/93/28/394279328.db2.gz RORKKHLRMVXBQR-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(F)cc(F)c1 ZINC000423385059 394279793 /nfs/dbraw/zinc/27/97/93/394279793.db2.gz LKNVRTWCCILSNR-FZZIBODNSA-N 2 0 254.324 2.885 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cnn1C(C)(C)C ZINC000423406912 394280612 /nfs/dbraw/zinc/28/06/12/394280612.db2.gz ZJBHLMLJPWYXQU-FPMFFAJLSA-N 2 0 278.444 2.867 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423453843 394282298 /nfs/dbraw/zinc/28/22/98/394282298.db2.gz KYYASOQUPIFVND-OIISXLGYSA-N 2 0 275.440 2.539 20 0 CFADRP C([NH2+]C1CCC2(CCCCC2)CC1)[C@@H]1C[NH2+]CCCO1 ZINC000423494438 394283528 /nfs/dbraw/zinc/28/35/28/394283528.db2.gz SAYUAKFSMJLNLT-INIZCTEOSA-N 2 0 280.456 2.848 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423515116 394287272 /nfs/dbraw/zinc/28/72/72/394287272.db2.gz SPVIULDBPWQQMN-DETOBHCWSA-N 2 0 288.435 2.904 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423519634 394287992 /nfs/dbraw/zinc/28/79/92/394287992.db2.gz DHQYEGFVDYFIRN-NFSPANSCSA-N 2 0 294.483 2.935 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cn1 ZINC000423520891 394289468 /nfs/dbraw/zinc/28/94/68/394289468.db2.gz WQALMXHOSLGVMV-HOSYDEDBSA-N 2 0 253.777 2.513 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000153745874 394291391 /nfs/dbraw/zinc/29/13/91/394291391.db2.gz HQRIZGWHMFGXBW-OAHLLOKOSA-N 2 0 290.451 2.794 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000450391636 394291502 /nfs/dbraw/zinc/29/15/02/394291502.db2.gz NKNBGVBVVRUFRO-QZTJIDSGSA-N 2 0 293.499 2.810 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423532812 394292262 /nfs/dbraw/zinc/29/22/62/394292262.db2.gz VWQGJRCYDALBGS-KBPBESRZSA-N 2 0 276.424 2.919 20 0 CFADRP C[N@H+](C[C@@H]1CCC(F)(F)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000450429617 394292387 /nfs/dbraw/zinc/29/23/87/394292387.db2.gz MGKCSKGASWJXBI-CHWSQXEVSA-N 2 0 260.372 2.695 20 0 CFADRP CN1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423535662 394292928 /nfs/dbraw/zinc/29/29/28/394292928.db2.gz DZLFOLBJUWSBCA-OALUTQOASA-N 2 0 299.462 2.721 20 0 CFADRP CCC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccn1 ZINC000423534622 394293222 /nfs/dbraw/zinc/29/32/22/394293222.db2.gz AMVDCVIXODELMQ-OAHLLOKOSA-N 2 0 259.397 2.822 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538431 394293721 /nfs/dbraw/zinc/29/37/21/394293721.db2.gz GHWQAEKACNTEGF-OTJKEOIZSA-N 2 0 250.430 2.789 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cnn1C(C)C ZINC000423537669 394293736 /nfs/dbraw/zinc/29/37/36/394293736.db2.gz KMAGJAKBVGBGPK-CYBMUJFWSA-N 2 0 276.428 2.733 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(OC)c1 ZINC000423543482 394294921 /nfs/dbraw/zinc/29/49/21/394294921.db2.gz BYAOLMIFGNSTOZ-CYBMUJFWSA-N 2 0 290.407 2.664 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423556766 394297407 /nfs/dbraw/zinc/29/74/07/394297407.db2.gz ZCVPWDHELNTWMQ-LISAXSMJSA-N 2 0 270.420 2.960 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000423562487 394298251 /nfs/dbraw/zinc/29/82/51/394298251.db2.gz QMHOIQKYVXWEED-HNNXBMFYSA-N 2 0 296.418 2.833 20 0 CFADRP C(C[NH2+]C1CC1)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423570075 394298733 /nfs/dbraw/zinc/29/87/33/394298733.db2.gz WUEVCAHRWJGJAT-UHFFFAOYSA-N 2 0 280.456 2.989 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000423570832 394299170 /nfs/dbraw/zinc/29/91/70/394299170.db2.gz XEKPGGIIEDIASG-DJIMGWMZSA-N 2 0 273.424 2.840 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCCC[NH2+]C3)C2)c1 ZINC000423570839 394299261 /nfs/dbraw/zinc/29/92/61/394299261.db2.gz XEKPGGIIEDIASG-PVAVHDDUSA-N 2 0 273.424 2.840 20 0 CFADRP CCCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294062 394300547 /nfs/dbraw/zinc/30/05/47/394300547.db2.gz IWWUUQKJYIMOPR-OWCLPIDISA-N 2 0 268.445 2.750 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155036305 394308463 /nfs/dbraw/zinc/30/84/63/394308463.db2.gz KKXJZSGDCMBXPH-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@]1(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CCC[NH2+]1 ZINC000423784548 394319030 /nfs/dbraw/zinc/31/90/30/394319030.db2.gz MSQSUISOXYCTPQ-KRWDZBQOSA-N 2 0 289.423 2.527 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000155614021 394319697 /nfs/dbraw/zinc/31/96/97/394319697.db2.gz ZEFDKDMSZYKUND-IRXDYDNUSA-N 2 0 281.488 2.737 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000423792864 394320357 /nfs/dbraw/zinc/32/03/57/394320357.db2.gz WJUQVQRESRVJRB-UHFFFAOYSA-N 2 0 289.423 2.514 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000157227939 394343000 /nfs/dbraw/zinc/34/30/00/394343000.db2.gz QTLLHXBZVBHAGB-BFQNTYOBSA-N 2 0 282.378 2.826 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCC(F)(F)C1 ZINC000450911867 394343116 /nfs/dbraw/zinc/34/31/16/394343116.db2.gz WXQRZKAZVSXNLC-ZDUSSCGKSA-N 2 0 260.372 2.840 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000157870492 394351600 /nfs/dbraw/zinc/35/16/00/394351600.db2.gz WMZWUXNZZDLMCV-GJZGRUSLSA-N 2 0 278.444 2.725 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(C)c1 ZINC000158584708 394358830 /nfs/dbraw/zinc/35/88/30/394358830.db2.gz MDEUOQSMTVLFRZ-FUHWJXTLSA-N 2 0 289.467 2.751 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1CCCN1CCOC)c1ccccn1 ZINC000158978438 394362605 /nfs/dbraw/zinc/36/26/05/394362605.db2.gz TWAFDKOKKGIYDP-CVEARBPZSA-N 2 0 291.439 2.623 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527633877 394393300 /nfs/dbraw/zinc/39/33/00/394393300.db2.gz ZGSWYFYSYDJOLO-BPUTZDHNSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000453062138 394381507 /nfs/dbraw/zinc/38/15/07/394381507.db2.gz QAZXZUVKTZDWQR-KBPBESRZSA-N 2 0 264.417 2.715 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527644138 394394584 /nfs/dbraw/zinc/39/45/84/394394584.db2.gz FVFTYDKQNNOOOA-OAHLLOKOSA-N 2 0 271.408 2.989 20 0 CFADRP CC1CC[NH+](CCN2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000178020676 394385535 /nfs/dbraw/zinc/38/55/35/394385535.db2.gz ADUCBDDWHHMCRE-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000178039540 394385821 /nfs/dbraw/zinc/38/58/21/394385821.db2.gz BABUKHCZEIMTDY-ZNMIVQPWSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453331908 394386837 /nfs/dbraw/zinc/38/68/37/394386837.db2.gz AOSPIGBHGLVRBT-NPJQDHAYSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393757 394395676 /nfs/dbraw/zinc/39/56/76/394395676.db2.gz GFMFUEHZQMPFST-ZDUSSCGKSA-N 2 0 250.386 2.675 20 0 CFADRP c1cc2c(cc[nH+]c2N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000089220743 135058269 /nfs/dbraw/zinc/05/82/69/135058269.db2.gz ZUEHOJNZJFVAFN-UHFFFAOYSA-N 2 0 292.386 2.885 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000453406422 394398350 /nfs/dbraw/zinc/39/83/50/394398350.db2.gz FXJPPQZLRALXJA-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC(C)(C)CC)[C@@H](C)C1 ZINC000453414188 394400035 /nfs/dbraw/zinc/40/00/35/394400035.db2.gz STIRMMVAEQKWRG-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000685455684 542916797 /nfs/dbraw/zinc/91/67/97/542916797.db2.gz KDSAQNJLOCEGKV-GJZGRUSLSA-N 2 0 297.446 2.955 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000685463397 542919844 /nfs/dbraw/zinc/91/98/44/542919844.db2.gz TXOIYJZOCBCULG-FGTMMUONSA-N 2 0 270.420 2.789 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC(F)(F)C1 ZINC000529596092 394413380 /nfs/dbraw/zinc/41/33/80/394413380.db2.gz LXBITEPKTDFXTF-SMHCIBLRSA-N 2 0 258.356 2.635 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC12CC2 ZINC000527851038 394417227 /nfs/dbraw/zinc/41/72/27/394417227.db2.gz OFLUGVKRFBOLCQ-PBHICJAKSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC12CC2 ZINC000527857055 394417539 /nfs/dbraw/zinc/41/75/39/394417539.db2.gz ZDVGREFZIKVHSW-ZBFHGGJFSA-N 2 0 288.435 2.905 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527857507 394417960 /nfs/dbraw/zinc/41/79/60/394417960.db2.gz CDWOUXDOBLRROA-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000527873498 394419881 /nfs/dbraw/zinc/41/98/81/394419881.db2.gz VCGDXQRHIOABSR-UAGQMJEPSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000528001911 394437489 /nfs/dbraw/zinc/43/74/89/394437489.db2.gz OCFDZMMLLMOQGD-CJNGLKHVSA-N 2 0 262.397 2.817 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530207796 394479620 /nfs/dbraw/zinc/47/96/20/394479620.db2.gz DHWWPWNTFBEXPD-LRQZZLGCSA-N 2 0 264.800 2.694 20 0 CFADRP Fc1cccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000530210133 394480916 /nfs/dbraw/zinc/48/09/16/394480916.db2.gz YRLYSVCCJHXHKX-UHFFFAOYSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CCc2ccccc2CC1 ZINC000530213726 394482872 /nfs/dbraw/zinc/48/28/72/394482872.db2.gz VRDXJECSCHJMLM-UONOGXRCSA-N 2 0 260.425 2.897 20 0 CFADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000530220130 394487568 /nfs/dbraw/zinc/48/75/68/394487568.db2.gz SBYDDKWEZYXZKJ-DLBZAZTESA-N 2 0 294.414 2.587 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC(F)(F)C[C@H]2C)cc1 ZINC000530232186 394492966 /nfs/dbraw/zinc/49/29/66/394492966.db2.gz OIWUOMIBWQKJTN-TZMCWYRMSA-N 2 0 298.377 2.857 20 0 CFADRP C[C@]1(C[NH+]2CCC(Oc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000530244583 394495154 /nfs/dbraw/zinc/49/51/54/394495154.db2.gz ZQNYERKOGHHJPJ-KRWDZBQOSA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)(C)CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249685 394497544 /nfs/dbraw/zinc/49/75/44/394497544.db2.gz XQFBKCVLFCAIOT-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530443214 394517344 /nfs/dbraw/zinc/51/73/44/394517344.db2.gz FOXZOUWDYDARRO-GOSISDBHSA-N 2 0 296.499 2.980 20 0 CFADRP CCCn1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000535811430 394546820 /nfs/dbraw/zinc/54/68/20/394546820.db2.gz BLBNXPNRPCOARE-UHFFFAOYSA-N 2 0 292.471 2.845 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536263553 394554450 /nfs/dbraw/zinc/55/44/50/394554450.db2.gz LVWVMOXCHKXQIO-ZFWWWQNUSA-N 2 0 255.365 2.971 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000537967458 394595891 /nfs/dbraw/zinc/59/58/91/394595891.db2.gz KJEFOMOLEGLCKJ-KDOFPFPSSA-N 2 0 268.404 2.922 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCc2cccs2)CC[N@@H+]1C ZINC000537952656 394596120 /nfs/dbraw/zinc/59/61/20/394596120.db2.gz NVOARGKZHFULOK-CHWSQXEVSA-N 2 0 252.427 2.753 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)Oc1cccc(C)c1 ZINC000540221878 394645112 /nfs/dbraw/zinc/64/51/12/394645112.db2.gz XNACOOAGZVLZKO-ZMSDIMECSA-N 2 0 276.424 2.692 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000541740934 394682955 /nfs/dbraw/zinc/68/29/55/394682955.db2.gz LOZLNFPSGVQYDO-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)c1nc(CN2CC[C@H](c3nccn3C)C2)cs1 ZINC000541892903 394690168 /nfs/dbraw/zinc/69/01/68/394690168.db2.gz VJUCQOMHDVJXAE-LBPRGKRZSA-N 2 0 290.436 2.990 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000542464627 394704724 /nfs/dbraw/zinc/70/47/24/394704724.db2.gz CNGXJLGOKVJADP-FXUDXRNXSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000547433013 394866834 /nfs/dbraw/zinc/86/68/34/394866834.db2.gz OMVKMZXCHVMEHG-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO[C@@H]1C1CC1 ZINC000546648976 394835720 /nfs/dbraw/zinc/83/57/20/394835720.db2.gz PRMUWLXDSGGZJM-QZTJIDSGSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000547308691 394857400 /nfs/dbraw/zinc/85/74/00/394857400.db2.gz MDPYFUOCSXMYJS-CQSZACIVSA-N 2 0 296.842 2.992 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000166005150 542942925 /nfs/dbraw/zinc/94/29/25/542942925.db2.gz VCBSTMYGFZFSRU-WBVHZDCISA-N 2 0 294.414 2.759 20 0 CFADRP OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000547972308 394900498 /nfs/dbraw/zinc/90/04/98/394900498.db2.gz OWEVKIMJDJCBMF-SWLSCSKDSA-N 2 0 291.420 2.575 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000555759730 394982246 /nfs/dbraw/zinc/98/22/46/394982246.db2.gz QZZUAJOSUXUMIS-HUUCEWRRSA-N 2 0 296.480 2.770 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000556782346 395014947 /nfs/dbraw/zinc/01/49/47/395014947.db2.gz IQZUWSOEUDKCTK-GJZGRUSLSA-N 2 0 264.413 2.922 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558725347 395075156 /nfs/dbraw/zinc/07/51/56/395075156.db2.gz LOPMUSBPRZFVMS-UHFFFAOYSA-N 3 0 283.504 2.771 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000648453020 395149906 /nfs/dbraw/zinc/14/99/06/395149906.db2.gz QFMZPSSZZQTWDG-KFWWJZLASA-N 2 0 270.461 2.900 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000648455348 395151275 /nfs/dbraw/zinc/15/12/75/395151275.db2.gz MRWLHPSPORCWEJ-JKSUJKDBSA-N 2 0 294.414 2.935 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648439120 395143128 /nfs/dbraw/zinc/14/31/28/395143128.db2.gz IVKUEUGHBSAODT-PBHICJAKSA-N 2 0 260.425 2.864 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000648484825 395169602 /nfs/dbraw/zinc/16/96/02/395169602.db2.gz HFTQESGTYDUUFU-BRWVUGGUSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+][C@@H](CCc1nc([C@@H]2CCC[NH2+]2)no1)CC1CCCCC1 ZINC000647144351 395173795 /nfs/dbraw/zinc/17/37/95/395173795.db2.gz VBTFQTQATVTCAW-KBPBESRZSA-N 2 0 292.427 2.724 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CO1 ZINC000647169090 395194817 /nfs/dbraw/zinc/19/48/17/395194817.db2.gz ZJTYLZBADRJGJF-MAUKXSAKSA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000648556110 395197687 /nfs/dbraw/zinc/19/76/87/395197687.db2.gz TYZWLMZNNOVXGI-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2CC(C)C)CC1 ZINC000647187086 395210758 /nfs/dbraw/zinc/21/07/58/395210758.db2.gz CPPYUUHOMSZMBG-UHFFFAOYSA-N 2 0 292.471 2.751 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)CC(F)F ZINC000647319596 395288144 /nfs/dbraw/zinc/28/81/44/395288144.db2.gz FJXRKVBCIXRFGQ-UMSGYPCISA-N 2 0 260.372 2.740 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)CC(F)F ZINC000647319594 395288345 /nfs/dbraw/zinc/28/83/45/395288345.db2.gz FJXRKVBCIXRFGQ-LOWDOPEQSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000647345087 395307445 /nfs/dbraw/zinc/30/74/45/395307445.db2.gz DHEOTKPNEMMKHH-GUYCJALGSA-N 2 0 294.414 2.569 20 0 CFADRP Clc1ccccc1C1([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000647368810 395318057 /nfs/dbraw/zinc/31/80/57/395318057.db2.gz LIHATKWJKCVWFQ-UHFFFAOYSA-N 2 0 264.800 2.918 20 0 CFADRP CC[C@H](C)C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249296 395255365 /nfs/dbraw/zinc/25/53/65/395255365.db2.gz PZAXRWLJZDIRHA-UAGQMJEPSA-N 2 0 260.425 2.968 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287536 395272061 /nfs/dbraw/zinc/27/20/61/395272061.db2.gz JYRXOSSFCCLRRL-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP C(=C/c1ccccc1)\C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482939 395355534 /nfs/dbraw/zinc/35/55/34/395355534.db2.gz LGDKWNCKDPASBC-QPJJXVBHSA-N 2 0 256.393 2.916 20 0 CFADRP C[N@H+](Cc1ccc2cnccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487186 395356864 /nfs/dbraw/zinc/35/68/64/395356864.db2.gz GMVQEJMXQDFIEJ-JWTNVVGKSA-N 2 0 281.403 2.950 20 0 CFADRP c1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc2c1CCC2 ZINC000647483085 395357017 /nfs/dbraw/zinc/35/70/17/395357017.db2.gz XYFVORLPXOUINP-UHFFFAOYSA-N 2 0 270.420 2.892 20 0 CFADRP CCCN(Cc1ccc2cnccc2c1)[C@@H]1CC[NH2+]C1 ZINC000647492202 395358491 /nfs/dbraw/zinc/35/84/91/395358491.db2.gz OHUTUYCAWNTUSJ-QGZVFWFLSA-N 2 0 269.392 2.809 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000647496501 395358708 /nfs/dbraw/zinc/35/87/08/395358708.db2.gz ODRLSXURZHHJDO-VHSXEESVSA-N 2 0 258.818 2.961 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000647494264 395358782 /nfs/dbraw/zinc/35/87/82/395358782.db2.gz OJZCSQRTXPNDFI-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP COc1nc2ccccc2cc1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000647496689 395358927 /nfs/dbraw/zinc/35/89/27/395358927.db2.gz BANAIDFGVPYCTP-DYVFJYSZSA-N 2 0 299.418 2.803 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497508 395360175 /nfs/dbraw/zinc/36/01/75/395360175.db2.gz JPGNWZUAGCKIRQ-WBVHZDCISA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647497480 395360832 /nfs/dbraw/zinc/36/08/32/395360832.db2.gz JGWKHULFCDPCFX-USXIJHARSA-N 2 0 260.425 2.924 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647498567 395361650 /nfs/dbraw/zinc/36/16/50/395361650.db2.gz KEOQYUHBYITHHO-YOEHRIQHSA-N 2 0 298.434 2.944 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647498921 395364692 /nfs/dbraw/zinc/36/46/92/395364692.db2.gz UDHIOMNLRIUJTO-RHSMWYFYSA-N 2 0 298.434 2.646 20 0 CFADRP CC(C)(C[NH+]1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000647506356 395367207 /nfs/dbraw/zinc/36/72/07/395367207.db2.gz MNXVZPNJCRIPKN-UHFFFAOYSA-N 2 0 290.451 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nccc4ccccc43)C[C@H]21 ZINC000647511989 395367345 /nfs/dbraw/zinc/36/73/45/395367345.db2.gz XHLDQGFLIUGEKP-USXIJHARSA-N 2 0 281.403 2.794 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000647537751 395380678 /nfs/dbraw/zinc/38/06/78/395380678.db2.gz GGGYGWMODUOPOE-CJNGLKHVSA-N 2 0 260.381 2.529 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647541541 395383273 /nfs/dbraw/zinc/38/32/73/395383273.db2.gz ZPWZVXWIBKRGSZ-MAUKXSAKSA-N 2 0 286.419 2.628 20 0 CFADRP C[C@@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000647542032 395384428 /nfs/dbraw/zinc/38/44/28/395384428.db2.gz HHPXDEDYAHMCDL-DZGCQCFKSA-N 2 0 252.446 2.990 20 0 CFADRP C(c1nc2c(s1)CCCC2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000647542584 395384637 /nfs/dbraw/zinc/38/46/37/395384637.db2.gz SDHVUUZYWIAHCV-UHFFFAOYSA-N 2 0 291.464 2.597 20 0 CFADRP CC(C)(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000647542485 395384687 /nfs/dbraw/zinc/38/46/87/395384687.db2.gz XOVDUICLCUCHTF-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544186 395385524 /nfs/dbraw/zinc/38/55/24/395385524.db2.gz XZFLURXEDKVFCE-KGLIPLIRSA-N 2 0 294.464 2.968 20 0 CFADRP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543980 395385676 /nfs/dbraw/zinc/38/56/76/395385676.db2.gz VEURSORLOAAXIU-ZIAGYGMSSA-N 2 0 279.453 2.663 20 0 CFADRP Clc1cscc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544526 395386138 /nfs/dbraw/zinc/38/61/38/395386138.db2.gz JOPSTZWELSNXGI-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549382 395388339 /nfs/dbraw/zinc/38/83/39/395388339.db2.gz XHVFHNQJJGYKCI-IGQOVBAYSA-N 2 0 292.398 2.873 20 0 CFADRP Fc1cccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647548734 395388531 /nfs/dbraw/zinc/38/85/31/395388531.db2.gz SCLKQZULXXFRCH-YQQAZPJKSA-N 2 0 276.399 2.736 20 0 CFADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647550140 395389277 /nfs/dbraw/zinc/38/92/77/395389277.db2.gz BUEUCPASUQCNFQ-GZBFAFLISA-N 2 0 294.826 2.697 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000647552657 395390572 /nfs/dbraw/zinc/39/05/72/395390572.db2.gz PKVJOHQUYXFJIH-MNOVXSKESA-N 2 0 261.344 2.589 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000647872611 395448459 /nfs/dbraw/zinc/44/84/59/395448459.db2.gz HFQCSQAHECNTEG-UHFFFAOYSA-N 2 0 290.407 2.627 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CCOc1ccc(F)cc1 ZINC000647873503 395449010 /nfs/dbraw/zinc/44/90/10/395449010.db2.gz SCPKLMZYUZXSDW-UHFFFAOYSA-N 2 0 294.414 2.916 20 0 CFADRP Fc1ccc2c(c1)C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647988494 395473457 /nfs/dbraw/zinc/47/34/57/395473457.db2.gz RQZTWHNUNFGOGC-UHFFFAOYSA-N 2 0 276.399 2.964 20 0 CFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000647988799 395473558 /nfs/dbraw/zinc/47/35/58/395473558.db2.gz ORUJJTKAZUVPHP-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP c1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647883445 395451345 /nfs/dbraw/zinc/45/13/45/395451345.db2.gz QIAWFGBCPTYAFF-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP COCCCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647882163 395451648 /nfs/dbraw/zinc/45/16/48/395451648.db2.gz RASWMOAERRHHJO-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP CCCC[N@H+](CCCC1CC[NH2+]CC1)CCOC ZINC000647884641 395452312 /nfs/dbraw/zinc/45/23/12/395452312.db2.gz SFAQZTNAUAQVEI-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP c1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)CC2CCOCC2)cc1 ZINC000647885003 395452618 /nfs/dbraw/zinc/45/26/18/395452618.db2.gz WDADWGOOLNWOLX-SFHVURJKSA-N 2 0 288.435 2.525 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886771 395453001 /nfs/dbraw/zinc/45/30/01/395453001.db2.gz RLHDPEDRVDUXIO-OWCLPIDISA-N 2 0 258.409 2.782 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886030 395453372 /nfs/dbraw/zinc/45/33/72/395453372.db2.gz HKZTXGJXNXDQNN-IOASZLSFSA-N 2 0 262.372 2.818 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886031 395453671 /nfs/dbraw/zinc/45/36/71/395453671.db2.gz HKZTXGJXNXDQNN-WWGRRREGSA-N 2 0 262.372 2.818 20 0 CFADRP c1ccc(SC[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647890070 395454013 /nfs/dbraw/zinc/45/40/13/395454013.db2.gz LSNNPXXVXRLPKY-LSDHHAIUSA-N 2 0 276.449 2.710 20 0 CFADRP c1ccc(SC[C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647890068 395454315 /nfs/dbraw/zinc/45/43/15/395454315.db2.gz LSNNPXXVXRLPKY-GJZGRUSLSA-N 2 0 276.449 2.710 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000647910535 395455875 /nfs/dbraw/zinc/45/58/75/395455875.db2.gz VTIKVMZKKRVQPY-CQSZACIVSA-N 2 0 256.459 2.735 20 0 CFADRP CC[C@H]1C[N@H+](CCCOc2ccccc2C)CC[C@H]1[NH3+] ZINC000647936647 395461658 /nfs/dbraw/zinc/46/16/58/395461658.db2.gz JBDXWLNMZIGVHC-JKSUJKDBSA-N 2 0 276.424 2.823 20 0 CFADRP FC(F)(F)[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)CC12CCC2 ZINC000647991618 395474347 /nfs/dbraw/zinc/47/43/47/395474347.db2.gz SWOHWFFBHUMSJO-RYUDHWBXSA-N 2 0 276.346 2.650 20 0 CFADRP Cc1ccccc1[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000647959928 395466879 /nfs/dbraw/zinc/46/68/79/395466879.db2.gz VFNRMMRXECNPDV-SJLPKXTDSA-N 2 0 290.451 2.833 20 0 CFADRP Cc1ccc(CN(C[C@H](O)C[N@H+](C)C(C)C)C(C)C)s1 ZINC000647960754 395466936 /nfs/dbraw/zinc/46/69/36/395466936.db2.gz GYMNUBBADDALEJ-OAHLLOKOSA-N 2 0 298.496 2.968 20 0 CFADRP Cc1cc(C)cc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000647974758 395471618 /nfs/dbraw/zinc/47/16/18/395471618.db2.gz PGJKMZCCHAOONL-UHFFFAOYSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786782 395427764 /nfs/dbraw/zinc/42/77/64/395427764.db2.gz YNXQUWQVMUYNOU-HHARLNAUSA-N 2 0 280.456 2.559 20 0 CFADRP c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786449 395427796 /nfs/dbraw/zinc/42/77/96/395427796.db2.gz PGEZNPPADRVIHK-SOUVJXGZSA-N 2 0 270.376 2.911 20 0 CFADRP C(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000647785929 395427808 /nfs/dbraw/zinc/42/78/08/395427808.db2.gz GFYURCDJYKGLAL-OKZBNKHCSA-N 3 0 293.499 2.620 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c[nH]c21 ZINC000647786770 395427848 /nfs/dbraw/zinc/42/78/48/395427848.db2.gz YKNKMSNAERXZKO-BHYGNILZSA-N 2 0 297.446 2.997 20 0 CFADRP C(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC[NH+]1CCCCC1 ZINC000647785928 395427917 /nfs/dbraw/zinc/42/79/17/395427917.db2.gz GFYURCDJYKGLAL-KZNAEPCWSA-N 3 0 293.499 2.620 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786354 395428073 /nfs/dbraw/zinc/42/80/73/395428073.db2.gz NNDRKBOMVHTZKL-BRWVUGGUSA-N 2 0 288.435 2.524 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789004 395428841 /nfs/dbraw/zinc/42/88/41/395428841.db2.gz WQQQEGZMBCKZSO-HRCADAONSA-N 2 0 297.402 2.819 20 0 CFADRP c1c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)noc1-c1ccccc1 ZINC000647789352 395429640 /nfs/dbraw/zinc/42/96/40/395429640.db2.gz BHVVVDNXLHLHMV-HRCADAONSA-N 2 0 297.402 2.819 20 0 CFADRP c1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)noc1-c1ccccc1 ZINC000647789353 395429877 /nfs/dbraw/zinc/42/98/77/395429877.db2.gz BHVVVDNXLHLHMV-OWCLPIDISA-N 2 0 297.402 2.819 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793736 395430209 /nfs/dbraw/zinc/43/02/09/395430209.db2.gz GSIZMIBBDHXFBX-DRPJVOAASA-N 2 0 273.424 2.683 20 0 CFADRP Clc1cccc2c1OC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647792030 395430230 /nfs/dbraw/zinc/43/02/30/395430230.db2.gz RPHLYWMKXAYKST-BLTAXRJOSA-N 2 0 292.810 2.751 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000647793714 395430384 /nfs/dbraw/zinc/43/03/84/395430384.db2.gz GAGNRXMNBCWQFF-XLNGHYISSA-N 2 0 271.408 2.510 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647792143 395430408 /nfs/dbraw/zinc/43/04/08/395430408.db2.gz UNFHEJUJKIBFIW-DLTWYDFYSA-N 2 0 286.419 2.715 20 0 CFADRP Clc1ccccc1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793644 395430419 /nfs/dbraw/zinc/43/04/19/395430419.db2.gz CKMOOHRHYBZJBX-MGPQQGTHSA-N 2 0 294.826 2.697 20 0 CFADRP Cc1csc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCC2)n1 ZINC000647792087 395430555 /nfs/dbraw/zinc/43/05/55/395430555.db2.gz SOUXKHOTGHVFQX-MGPQQGTHSA-N 2 0 291.464 2.808 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793935 395431147 /nfs/dbraw/zinc/43/11/47/395431147.db2.gz MOLQDVGRWZVPPF-QSFKDOLUSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647794077 395431312 /nfs/dbraw/zinc/43/13/12/395431312.db2.gz QIAGUUIOJJTJQU-YXCITZCRSA-N 2 0 279.453 2.533 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000647794671 395431450 /nfs/dbraw/zinc/43/14/50/395431450.db2.gz AKDFSZRVRPRVIU-YESZJQIVSA-N 2 0 294.483 2.951 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647798756 395432580 /nfs/dbraw/zinc/43/25/80/395432580.db2.gz WHPAAJRFXRAPLP-HRCADAONSA-N 2 0 276.399 2.654 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2O1 ZINC000647798451 395432655 /nfs/dbraw/zinc/43/26/55/395432655.db2.gz QWMUHEKMTMUKNV-JRBZFYFNSA-N 2 0 286.419 2.876 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647798250 395432888 /nfs/dbraw/zinc/43/28/88/395432888.db2.gz NRVRYGXTINXLAN-ARKGTOAJSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000647800467 395433607 /nfs/dbraw/zinc/43/36/07/395433607.db2.gz BPNQAMDJJNMLCG-QWHCGFSZSA-N 2 0 280.437 2.647 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978756 395472316 /nfs/dbraw/zinc/47/23/16/395472316.db2.gz XQZSDDOTUQODNZ-OWCLPIDISA-N 2 0 273.424 2.854 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800661 395434558 /nfs/dbraw/zinc/43/45/58/395434558.db2.gz IOYSXLDUDOHHMA-VQHPVUNQSA-N 2 0 258.409 2.897 20 0 CFADRP Fc1ccc(OCCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814532 395439130 /nfs/dbraw/zinc/43/91/30/395439130.db2.gz SFYDQAKUSCKWTJ-UHFFFAOYSA-N 2 0 292.398 2.811 20 0 CFADRP OCC1([NH2+]CC2CC2)CC[NH+](CCC2CCCCC2)CC1 ZINC000649624845 395541902 /nfs/dbraw/zinc/54/19/02/395541902.db2.gz HUXHLINCKJLZLL-UHFFFAOYSA-N 2 0 294.483 2.783 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000649413844 395489539 /nfs/dbraw/zinc/48/95/39/395489539.db2.gz MQZDYOWLNUYNHP-RDJZCZTQSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CC1(N(C)C)CCCCC1)C1CC[NH+](C)CC1 ZINC000037219912 543027488 /nfs/dbraw/zinc/02/74/88/543027488.db2.gz SPKMRUYITQLLLQ-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037221272 543027770 /nfs/dbraw/zinc/02/77/70/543027770.db2.gz XCKMXDKZYYFYGK-KGLIPLIRSA-N 2 0 264.413 2.921 20 0 CFADRP C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)C1CC[NH+](C)CC1 ZINC000037219886 543027851 /nfs/dbraw/zinc/02/78/51/543027851.db2.gz APPNLOUUMBTUJK-CRAIPNDOSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@H](CCO)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000649870781 395583562 /nfs/dbraw/zinc/58/35/62/395583562.db2.gz JKWXLCHOOAPUEY-MRXNPFEDSA-N 2 0 290.451 2.875 20 0 CFADRP CC(C)OCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186635427 543052952 /nfs/dbraw/zinc/05/29/52/543052952.db2.gz XLZYBIVIIKDUCH-HNNXBMFYSA-N 2 0 294.439 2.703 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000380041325 543069647 /nfs/dbraw/zinc/06/96/47/543069647.db2.gz YUICDVMLAUCLMA-HZPDHXFCSA-N 2 0 283.504 2.530 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000311629821 413088932 /nfs/dbraw/zinc/08/89/32/413088932.db2.gz YXTDJMNGLZDEOX-IRXDYDNUSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@H]1SCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000311599351 413089078 /nfs/dbraw/zinc/08/90/78/413089078.db2.gz CEPYLGGDZAYQMY-IUODEOHRSA-N 2 0 277.437 2.534 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C1CC[NH+](C)CC1 ZINC000386821952 543102686 /nfs/dbraw/zinc/10/26/86/543102686.db2.gz PFWSREDDHQXLPF-FKFRUQKQSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000388075914 543103709 /nfs/dbraw/zinc/10/37/09/543103709.db2.gz OUTVQSKHUPNUON-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000067453032 292105831 /nfs/dbraw/zinc/10/58/31/292105831.db2.gz UMVDPGMELJKNEQ-IRXDYDNUSA-N 2 0 290.451 2.974 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401097672 413160985 /nfs/dbraw/zinc/16/09/85/413160985.db2.gz BRGQKAHPXPISAW-BRWVUGGUSA-N 2 0 258.409 2.515 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401028514 413161178 /nfs/dbraw/zinc/16/11/78/413161178.db2.gz KFZCORKPWOXTCM-IIAWOOMASA-N 2 0 278.827 2.860 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401019738 413159787 /nfs/dbraw/zinc/15/97/87/413159787.db2.gz WUHIDMMADMBDIG-JHJVBQTASA-N 2 0 294.826 2.826 20 0 CFADRP CC1CCC(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000335265780 397648990 /nfs/dbraw/zinc/64/89/90/397648990.db2.gz HWIVVIHLCSLHRP-GPANFISMSA-N 2 0 280.456 2.500 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000650756455 397884743 /nfs/dbraw/zinc/88/47/43/397884743.db2.gz BDDJYMKTGYCSAW-WMLDXEAASA-N 2 0 276.424 2.701 20 0 CFADRP [NH3+]Cc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c(F)c1 ZINC000650755917 397884784 /nfs/dbraw/zinc/88/47/84/397884784.db2.gz PJPGLEPGWNUZMD-DLBZAZTESA-N 2 0 285.366 2.519 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000650757562 397885365 /nfs/dbraw/zinc/88/53/65/397885365.db2.gz ZYTYPHNUTQGCNV-GFCCVEGCSA-N 2 0 273.355 2.791 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759085 397885387 /nfs/dbraw/zinc/88/53/87/397885387.db2.gz CPEAHJNDVRTTMF-GVDBMIGSSA-N 2 0 287.451 2.911 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759988 397886134 /nfs/dbraw/zinc/88/61/34/397886134.db2.gz VBUBACGDMOJJTB-GUTXKFCHSA-N 2 0 261.413 2.519 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650759678 397886428 /nfs/dbraw/zinc/88/64/28/397886428.db2.gz NXMUYOYIHBSJBB-NUJGCVRESA-N 2 0 287.451 2.924 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@H]1CCC[NH2+]1 ZINC000650760034 397886483 /nfs/dbraw/zinc/88/64/83/397886483.db2.gz VVKUDHHSWQRHRQ-FVQBIDKESA-N 2 0 273.424 2.534 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761781 397887259 /nfs/dbraw/zinc/88/72/59/397887259.db2.gz KQRRDYWIWMTHRW-GJZGRUSLSA-N 2 0 256.409 2.884 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000650705594 397860942 /nfs/dbraw/zinc/86/09/42/397860942.db2.gz NAQGGYQAXDTAQM-DJIMGWMZSA-N 2 0 292.398 2.544 20 0 CFADRP CCC(CC)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707880 397861598 /nfs/dbraw/zinc/86/15/98/397861598.db2.gz OSGNZUILGKBZRH-XHSDSOJGSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000650709031 397861869 /nfs/dbraw/zinc/86/18/69/397861869.db2.gz ZOOUFBDKTZNTTN-WMLDXEAASA-N 2 0 276.399 2.789 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000650710262 397862385 /nfs/dbraw/zinc/86/23/85/397862385.db2.gz KAJDFFVAILLVPW-UHFFFAOYSA-N 3 0 281.488 2.891 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[NH2+]C[C@H](C)C1)C1CCCCC1 ZINC000650710587 397862635 /nfs/dbraw/zinc/86/26/35/397862635.db2.gz SQSDISNHYJBBEJ-CVEARBPZSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763185 397887936 /nfs/dbraw/zinc/88/79/36/397887936.db2.gz TYLNFDOKWSIQCZ-GJZGRUSLSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711350 397863636 /nfs/dbraw/zinc/86/36/36/397863636.db2.gz QIMAOIPZSKDNKK-RYUDHWBXSA-N 2 0 268.426 2.706 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)[C@H]1CC[NH3+] ZINC000650711607 397863669 /nfs/dbraw/zinc/86/36/69/397863669.db2.gz YQDBIRUKHFZNRS-FZMZJTMJSA-N 2 0 279.453 2.970 20 0 CFADRP Cc1cccn2c(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cnc12 ZINC000650711307 397864116 /nfs/dbraw/zinc/86/41/16/397864116.db2.gz PAVWDCTUGDHASO-CZUORRHYSA-N 2 0 286.423 2.592 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713510 397864548 /nfs/dbraw/zinc/86/45/48/397864548.db2.gz VJYXVADLQZCMKD-CYBMUJFWSA-N 2 0 286.423 2.603 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713224 397864619 /nfs/dbraw/zinc/86/46/19/397864619.db2.gz KWKDSFADZWUYOX-CYBMUJFWSA-N 2 0 264.388 2.865 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713611 397865549 /nfs/dbraw/zinc/86/55/49/397865549.db2.gz XPUOUQUAKFXQTO-DOTOQJQBSA-N 3 0 293.499 2.748 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650714040 397865844 /nfs/dbraw/zinc/86/58/44/397865844.db2.gz OPKDDTZHJNTCOW-UHFFFAOYSA-N 2 0 250.361 2.607 20 0 CFADRP CCCC[C@H](COC)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716702 397867714 /nfs/dbraw/zinc/86/77/14/397867714.db2.gz HGFKKFPPUKJOBW-CQSZACIVSA-N 2 0 268.376 2.579 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C[NH3+])cc1F ZINC000650717128 397867774 /nfs/dbraw/zinc/86/77/74/397867774.db2.gz SHIQZHNVJYWYBD-BBRMVZONSA-N 2 0 293.430 2.685 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1F ZINC000650718693 397868500 /nfs/dbraw/zinc/86/85/00/397868500.db2.gz UAKBXVXKOREKBS-UHFFFAOYSA-N 2 0 292.329 2.722 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC1CCOCC1 ZINC000650720130 397869239 /nfs/dbraw/zinc/86/92/39/397869239.db2.gz GAMHMJMLLRHYQD-AWEZNQCLSA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650720786 397869248 /nfs/dbraw/zinc/86/92/48/397869248.db2.gz ALADZQQNSZWZFF-CVEARBPZSA-N 2 0 275.440 2.766 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764151 397888504 /nfs/dbraw/zinc/88/85/04/397888504.db2.gz RDHABNKYLYUATP-HNNXBMFYSA-N 2 0 260.425 2.987 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650722418 397870212 /nfs/dbraw/zinc/87/02/12/397870212.db2.gz SIWWSAMURYUBPW-UHFFFAOYSA-N 2 0 258.409 2.736 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650721897 397870344 /nfs/dbraw/zinc/87/03/44/397870344.db2.gz FJRVCWKRUJHGGE-ZNMIVQPWSA-N 2 0 294.464 2.917 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccsc2)C1 ZINC000650722000 397870668 /nfs/dbraw/zinc/87/06/68/397870668.db2.gz HZWGJRDVBYACAA-QLFBSQMISA-N 2 0 280.437 2.609 20 0 CFADRP CC[N@H+](CCCN[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650741665 397875898 /nfs/dbraw/zinc/87/58/98/397875898.db2.gz IYDAELXQBJAOMK-RDJZCZTQSA-N 2 0 281.488 2.761 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000650742435 397876514 /nfs/dbraw/zinc/87/65/14/397876514.db2.gz YABXRNMYPQVIMD-CVEARBPZSA-N 2 0 267.461 2.501 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650744668 397878229 /nfs/dbraw/zinc/87/82/29/397878229.db2.gz TWGNNYPMBPEKTJ-CYBMUJFWSA-N 2 0 292.423 2.792 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000650744087 397878355 /nfs/dbraw/zinc/87/83/55/397878355.db2.gz GAQFZSCHUVBKKV-AWEZNQCLSA-N 2 0 290.407 2.628 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000650745875 397879085 /nfs/dbraw/zinc/87/90/85/397879085.db2.gz PTSNKYHAKHJPRG-ZDUSSCGKSA-N 2 0 266.335 2.671 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745992 397879327 /nfs/dbraw/zinc/87/93/27/397879327.db2.gz SXAZWTZMXGQEDB-KBPBESRZSA-N 2 0 268.445 2.545 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000650746393 397879640 /nfs/dbraw/zinc/87/96/40/397879640.db2.gz BEVYXEOPWOYRND-GOEBONIOSA-N 2 0 273.424 2.826 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000650746666 397879698 /nfs/dbraw/zinc/87/96/98/397879698.db2.gz IAWYVLSAFBSFMK-CQSZACIVSA-N 2 0 278.371 2.758 20 0 CFADRP COC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(Cl)c1 ZINC000650747629 397880514 /nfs/dbraw/zinc/88/05/14/397880514.db2.gz DQXRBLZZJNJMFN-AWEZNQCLSA-N 2 0 282.815 2.746 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000650755949 397884461 /nfs/dbraw/zinc/88/44/61/397884461.db2.gz QBGHKJDGOKDTBW-CQSZACIVSA-N 2 0 299.418 2.530 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)c(F)c1 ZINC000650756087 397884463 /nfs/dbraw/zinc/88/44/63/397884463.db2.gz UEYCKFKMCHCAMG-MRXNPFEDSA-N 2 0 262.372 2.953 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1(C)C ZINC000234854304 285861381 /nfs/dbraw/zinc/86/13/81/285861381.db2.gz OVXAXWSZJPNMCC-ZQDZILKHSA-N 2 0 268.445 2.700 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353623786 285878498 /nfs/dbraw/zinc/87/84/98/285878498.db2.gz RXIRQRQUGGCOFG-HKKVPVCXSA-N 2 0 268.445 2.508 20 0 CFADRP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404278826 413192164 /nfs/dbraw/zinc/19/21/64/413192164.db2.gz OOBICKHTFVDUBZ-CXAGYDPISA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2F)[C@H]1CC[NH3+] ZINC000404295570 413197953 /nfs/dbraw/zinc/19/79/53/413197953.db2.gz NKZBKLXEYXPKDL-DOMZBBRYSA-N 2 0 250.361 2.775 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404318186 413198348 /nfs/dbraw/zinc/19/83/48/413198348.db2.gz PMWGGHHUKXLGMQ-PBHICJAKSA-N 2 0 276.424 2.687 20 0 CFADRP COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404400859 413202460 /nfs/dbraw/zinc/20/24/60/413202460.db2.gz RDBJUQFKFPEMLY-YOEHRIQHSA-N 2 0 292.423 2.523 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1F ZINC000404448179 413204624 /nfs/dbraw/zinc/20/46/24/413204624.db2.gz XWNOEGDFDCOGGF-IUODEOHRSA-N 2 0 280.387 2.784 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000404426797 413205187 /nfs/dbraw/zinc/20/51/87/413205187.db2.gz MEEZSAQGOFDLDI-BBRMVZONSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404428231 413205448 /nfs/dbraw/zinc/20/54/48/413205448.db2.gz MXTIKTRIVSWQBR-UKRRQHHQSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000404426802 413207243 /nfs/dbraw/zinc/20/72/43/413207243.db2.gz MEEZSAQGOFDLDI-XJKSGUPXSA-N 2 0 280.387 2.654 20 0 CFADRP CSC1(C[NH+]2CCC(CC[NH+](C)C)CC2)CCC1 ZINC000356067924 155155197 /nfs/dbraw/zinc/15/51/97/155155197.db2.gz SAMCZHOWFMTCLW-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663451183 413212900 /nfs/dbraw/zinc/21/29/00/413212900.db2.gz PJJDEDQAQGNBNA-GFCCVEGCSA-N 2 0 258.369 2.705 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358184019 286014361 /nfs/dbraw/zinc/01/43/61/286014361.db2.gz FRCBPGSKGUTSFJ-YESZJQIVSA-N 2 0 292.398 2.730 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCCF)CC2)C1 ZINC000663463072 413219101 /nfs/dbraw/zinc/21/91/01/413219101.db2.gz VZNNKUDAPWUIMJ-ZBFHGGJFSA-N 2 0 286.435 2.605 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000493943487 286023088 /nfs/dbraw/zinc/02/30/88/286023088.db2.gz DHTZCLGDXSHUCI-PBHICJAKSA-N 2 0 276.424 2.694 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537144 286024125 /nfs/dbraw/zinc/02/41/25/286024125.db2.gz JICUIEBCCDHLLN-YOEHRIQHSA-N 2 0 274.408 2.662 20 0 CFADRP CCOCC(C)(C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000343949427 286028772 /nfs/dbraw/zinc/02/87/72/286028772.db2.gz YOLKYBXSNISIMQ-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@]1(C)CCCO1 ZINC000663466040 413223479 /nfs/dbraw/zinc/22/34/79/413223479.db2.gz NIIXCAZLOWMLEZ-USXIJHARSA-N 2 0 280.456 2.656 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786425 413224182 /nfs/dbraw/zinc/22/41/82/413224182.db2.gz SJMSEZLFXWXKOO-CQSZACIVSA-N 2 0 293.480 2.917 20 0 CFADRP c1nc2ccccn2c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785924 413225864 /nfs/dbraw/zinc/22/58/64/413225864.db2.gz NHVQGMFCWFHCNA-INIZCTEOSA-N 2 0 298.434 2.546 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000090723056 286049375 /nfs/dbraw/zinc/04/93/75/286049375.db2.gz ILNWESFJDLDOEI-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)[C@@H](C)C1 ZINC000450759977 286059282 /nfs/dbraw/zinc/05/92/82/286059282.db2.gz PZVXVHKWDYJMDL-UONOGXRCSA-N 2 0 292.414 2.758 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)C)[C@H](C)C1 ZINC000159038201 286063633 /nfs/dbraw/zinc/06/36/33/286063633.db2.gz WXNQMGNJKFCNNU-PMPSAXMXSA-N 2 0 270.461 2.758 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)[C@@H](C)C1 ZINC000247353340 286064050 /nfs/dbraw/zinc/06/40/50/286064050.db2.gz PMZLCCFHUWSMSJ-LZWOXQAQSA-N 2 0 268.445 2.512 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368566617 292193749 /nfs/dbraw/zinc/19/37/49/292193749.db2.gz JEAMTNKXTNPZSB-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3ccco3)CC2)CC[NH2+]1 ZINC000656787858 413228146 /nfs/dbraw/zinc/22/81/46/413228146.db2.gz XPEMYBPVYJEDNU-KBPBESRZSA-N 2 0 262.397 2.847 20 0 CFADRP COCC(C)(C)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000494138413 292197058 /nfs/dbraw/zinc/19/70/58/292197058.db2.gz ZEBVTHZKHXEOCS-UHFFFAOYSA-N 2 0 270.461 2.905 20 0 CFADRP CCC[NH+]1CCC(NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663469100 413231782 /nfs/dbraw/zinc/23/17/82/413231782.db2.gz ONKURBVSDLKJGA-QGZVFWFLSA-N 2 0 293.499 2.572 20 0 CFADRP c1ccc([C@@H]2C[NH2+]CCN2CCC[NH+]2CCCCC2)cc1 ZINC000420409344 296616511 /nfs/dbraw/zinc/61/65/11/296616511.db2.gz QMOWRTKIQITXEK-SFHVURJKSA-N 2 0 287.451 2.509 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]C1 ZINC000656790601 413234836 /nfs/dbraw/zinc/23/48/36/413234836.db2.gz CMUCNCKGYOEYHC-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH3+])CCCC1 ZINC000656789305 413236832 /nfs/dbraw/zinc/23/68/32/413236832.db2.gz MHHHVSOBYFVIIM-GFCCVEGCSA-N 2 0 250.361 2.618 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000358768123 286110650 /nfs/dbraw/zinc/11/06/50/286110650.db2.gz FPRBUVBHWDOKIQ-KBPBESRZSA-N 2 0 268.445 2.652 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCC([NH+](C)C)CC3)C[C@H]2C1 ZINC000424338661 286113158 /nfs/dbraw/zinc/11/31/58/286113158.db2.gz UUTOTKCBVUQUOQ-BAPGMGOUSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000663500263 413244406 /nfs/dbraw/zinc/24/44/06/413244406.db2.gz JLVOIBZBYMAMGI-BFYDXBDKSA-N 2 0 274.408 2.528 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000663500265 413245239 /nfs/dbraw/zinc/24/52/39/413245239.db2.gz JLVOIBZBYMAMGI-HLLBOEOZSA-N 2 0 274.408 2.528 20 0 CFADRP C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321408 413245343 /nfs/dbraw/zinc/24/53/43/413245343.db2.gz REJKAOHKRIINQL-HOTGVXAUSA-N 2 0 287.451 2.717 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663498900 413246164 /nfs/dbraw/zinc/24/61/64/413246164.db2.gz SMEOYJXZOOJSSE-OAHLLOKOSA-N 2 0 294.439 2.947 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000663500957 413246783 /nfs/dbraw/zinc/24/67/83/413246783.db2.gz WWLVJSOVRVBZMI-CGTJXYLNSA-N 2 0 295.515 2.993 20 0 CFADRP CCO[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422809692 286199820 /nfs/dbraw/zinc/19/98/20/286199820.db2.gz MNSYMTCPOHSRFS-NRXISQOPSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](CCC2CC2)CC2CC2)CC[NH2+]1 ZINC000663502221 413251283 /nfs/dbraw/zinc/25/12/83/413251283.db2.gz FRKMUUDRYREOQK-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422968646 413253349 /nfs/dbraw/zinc/25/33/49/413253349.db2.gz RRSTZGIDOHTFSC-KLHDSHLOSA-N 2 0 260.381 2.678 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000420298517 286246471 /nfs/dbraw/zinc/24/64/71/286246471.db2.gz HLUIMXGCAUWCGJ-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CCc1oc2ccccc2c1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663507250 413255075 /nfs/dbraw/zinc/25/50/75/413255075.db2.gz SPWGXBLNHLSWMA-ZIAGYGMSSA-N 2 0 276.355 2.866 20 0 CFADRP COCC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000423143733 292246402 /nfs/dbraw/zinc/24/64/02/292246402.db2.gz XSFHRIALOARCBT-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP C[NH2+]C[C@H](C)N[C@@H](C)Cc1ccccc1SC ZINC000663514128 413258075 /nfs/dbraw/zinc/25/80/75/413258075.db2.gz NJFNELXCCFPKDH-RYUDHWBXSA-N 2 0 252.427 2.537 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C12CCCCC2 ZINC000422921515 286291344 /nfs/dbraw/zinc/29/13/44/286291344.db2.gz QFPVJTRNXACSSS-RBSFLKMASA-N 2 0 268.445 2.831 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000449173571 292265715 /nfs/dbraw/zinc/26/57/15/292265715.db2.gz ODDMOYCCTYEURP-FJBKBRRZSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1 ZINC000423469169 286355431 /nfs/dbraw/zinc/35/54/31/286355431.db2.gz YOHYXBCJKICMKV-QWHCGFSZSA-N 2 0 250.386 2.782 20 0 CFADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1F ZINC000423303462 286377990 /nfs/dbraw/zinc/37/79/90/286377990.db2.gz LPNAAWSEWSCWAW-GDBMZVCRSA-N 2 0 292.398 2.670 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423245878 286379474 /nfs/dbraw/zinc/37/94/74/286379474.db2.gz YVRYNFXZAXXNFN-JWZBEHFJSA-N 2 0 274.408 2.529 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000085386514 286387743 /nfs/dbraw/zinc/38/77/43/286387743.db2.gz AOUUSGFAJQUFGD-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1(CC)CC ZINC000423272599 286390169 /nfs/dbraw/zinc/39/01/69/286390169.db2.gz JWMBVDKQSOAHTH-MELADBBJSA-N 2 0 256.434 2.543 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834089 286395479 /nfs/dbraw/zinc/39/54/79/286395479.db2.gz HKBIZEHMNMDFIA-LJISPDSOSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000343113209 154117332 /nfs/dbraw/zinc/11/73/32/154117332.db2.gz XNHZIDRDJBAGFU-CRAIPNDOSA-N 2 0 287.451 2.506 20 0 CFADRP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000345767355 154262631 /nfs/dbraw/zinc/26/26/31/154262631.db2.gz GTHXFSBXSNACRN-INIZCTEOSA-N 2 0 266.429 2.506 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000348073111 154306388 /nfs/dbraw/zinc/30/63/88/154306388.db2.gz ZIGCJXGFPLPNEC-HOCLYGCPSA-N 2 0 276.424 2.905 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348101786 154320106 /nfs/dbraw/zinc/32/01/06/154320106.db2.gz KZRYTGGMMKNAKR-IRXDYDNUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000348111154 154324570 /nfs/dbraw/zinc/32/45/70/154324570.db2.gz VVIYTANXUREMRL-NVXWUHKLSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000348177928 154350234 /nfs/dbraw/zinc/35/02/34/154350234.db2.gz YWSSWLZMLCDRDN-CVEARBPZSA-N 2 0 262.397 2.558 20 0 CFADRP CC(C)c1nccc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000348180017 154351226 /nfs/dbraw/zinc/35/12/26/154351226.db2.gz NUAALXLEDDNJTO-OAHLLOKOSA-N 2 0 288.439 2.768 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348248716 154379792 /nfs/dbraw/zinc/37/97/92/154379792.db2.gz TZZQJSQYFHYQHJ-IRXDYDNUSA-N 2 0 258.409 2.722 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000122323616 292308947 /nfs/dbraw/zinc/30/89/47/292308947.db2.gz PJZSSKRGDIPAKB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP COCCC1(C[NH2+][C@H](C)CCC[NH3+])CCCCC1 ZINC000415017442 292308312 /nfs/dbraw/zinc/30/83/12/292308312.db2.gz FLHQWTCKHCKKTE-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000660415434 413297018 /nfs/dbraw/zinc/29/70/18/413297018.db2.gz CSLXQYHFVQFERD-LVQVYYBASA-N 2 0 250.430 2.839 20 0 CFADRP C[C@H]1C[C@H](Nc2nccc3c(N)cccc32)CC[N@@H+]1C ZINC000663661415 413305655 /nfs/dbraw/zinc/30/56/55/413305655.db2.gz PHPNIGMTQOXRBT-NWDGAFQWSA-N 2 0 270.380 2.712 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000355754901 155076781 /nfs/dbraw/zinc/07/67/81/155076781.db2.gz IENWXZZDKNBWGF-AWEZNQCLSA-N 2 0 297.487 2.534 20 0 CFADRP CCCn1nc(C)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1C ZINC000355777679 155083692 /nfs/dbraw/zinc/08/36/92/155083692.db2.gz SRXXEDPAWRARIV-UHFFFAOYSA-N 2 0 292.471 2.731 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C1CCCCC1 ZINC000660427739 413310025 /nfs/dbraw/zinc/31/00/25/413310025.db2.gz YARNLTUOWNVJJY-GOEBONIOSA-N 2 0 270.461 2.588 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC ZINC000362974745 156133154 /nfs/dbraw/zinc/13/31/54/156133154.db2.gz BPPJRDFEEDOEMA-PBHICJAKSA-N 2 0 291.439 2.701 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000363277923 156169540 /nfs/dbraw/zinc/16/95/40/156169540.db2.gz GRTMIBSTZCKILX-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000423470687 292338361 /nfs/dbraw/zinc/33/83/61/292338361.db2.gz ZFWRNYVBEVHSEE-UKRRQHHQSA-N 2 0 262.397 2.926 20 0 CFADRP Cc1csc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366950279 156259493 /nfs/dbraw/zinc/25/94/93/156259493.db2.gz FPAOCWXTKCDDAL-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1-c1cccnc1 ZINC000367325905 156315112 /nfs/dbraw/zinc/31/51/12/156315112.db2.gz GIRHDVLKSWXBKD-HNNXBMFYSA-N 2 0 296.418 2.922 20 0 CFADRP C[N@H+](C[C@H]1CC=CCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367430999 156331811 /nfs/dbraw/zinc/33/18/11/156331811.db2.gz MSGBEFXGMWAMGX-INIZCTEOSA-N 2 0 292.467 2.918 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCCF)CC2)C[C@@H](C)O1 ZINC000367551881 156347862 /nfs/dbraw/zinc/34/78/62/156347862.db2.gz CICBTXNHVOVRFV-HUUCEWRRSA-N 2 0 286.435 2.557 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)[C@H]2CCC[C@H]21 ZINC000367598070 156357412 /nfs/dbraw/zinc/35/74/12/156357412.db2.gz UVXHKKLBHNTYNO-HZSPNIEDSA-N 2 0 279.815 2.697 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367612682 156362866 /nfs/dbraw/zinc/36/28/66/156362866.db2.gz DVDKPBZMFHVLMK-BBWFWOEESA-N 2 0 274.408 2.658 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]2CCC[C@@H]21 ZINC000367614718 156364075 /nfs/dbraw/zinc/36/40/75/156364075.db2.gz IAEFXCNWFLYDAR-IHRRRGAJSA-N 2 0 250.411 2.711 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Oc1ccccc1 ZINC000367616376 156364151 /nfs/dbraw/zinc/36/41/51/156364151.db2.gz OADKDPQFHNHVPD-SPUZQDLCSA-N 2 0 288.435 2.916 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000367625834 156368243 /nfs/dbraw/zinc/36/82/43/156368243.db2.gz ZDASPSJASVVGAU-IMJJTQAJSA-N 2 0 292.398 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccsc2)[C@H]2CCC[C@H]21 ZINC000367625769 156368347 /nfs/dbraw/zinc/36/83/47/156368347.db2.gz YWGHDFYZCUIBBP-QLFBSQMISA-N 2 0 264.438 2.753 20 0 CFADRP C[C@@H](CNc1cc[nH+]cc1-c1cccnc1)C[NH+]1CCCC1 ZINC000367714378 156381614 /nfs/dbraw/zinc/38/16/14/156381614.db2.gz ASXOTJSRFBCURL-HNNXBMFYSA-N 2 0 296.418 2.709 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H]2CCC[C@H]21 ZINC000367744982 156385744 /nfs/dbraw/zinc/38/57/44/156385744.db2.gz BNCDLCXSRVZJSF-SOUVJXGZSA-N 2 0 293.842 2.740 20 0 CFADRP c1ccc(C2CC[NH+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000371197380 156744200 /nfs/dbraw/zinc/74/42/00/156744200.db2.gz IIJGCGVIJCCOCA-UHFFFAOYSA-N 2 0 273.424 2.747 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660464196 413337258 /nfs/dbraw/zinc/33/72/58/413337258.db2.gz LKEMBKZPDXXJIQ-OWCLPIDISA-N 2 0 250.430 2.840 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000335523383 292352041 /nfs/dbraw/zinc/35/20/41/292352041.db2.gz YZDKKBIIUFQSEP-ZBFHGGJFSA-N 2 0 274.408 2.798 20 0 CFADRP CO[C@H](C[N@H+](C)CCC[NH+]1CCCC1)C1CCCC1 ZINC000660465278 413339021 /nfs/dbraw/zinc/33/90/21/413339021.db2.gz XCYPYMQGEAMBFX-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000373929137 157049803 /nfs/dbraw/zinc/04/98/03/157049803.db2.gz LVZFXLLLOPCSLV-KRWDZBQOSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)c1nccn1[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000374270945 157091665 /nfs/dbraw/zinc/09/16/65/157091665.db2.gz NCKZRDYMWKWAAQ-OAHLLOKOSA-N 2 0 287.411 2.577 20 0 CFADRP Cn1cccc1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374284514 157093174 /nfs/dbraw/zinc/09/31/74/157093174.db2.gz USZQJWNNVOPKBC-OAHLLOKOSA-N 2 0 287.451 2.721 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000375486123 157250380 /nfs/dbraw/zinc/25/03/80/157250380.db2.gz XDIXYYRLRQXHKN-FGTMMUONSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375792036 157287260 /nfs/dbraw/zinc/28/72/60/157287260.db2.gz PJLHJNRRKPQNLT-OKDNKWQNSA-N 2 0 288.435 2.702 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000375840145 157292865 /nfs/dbraw/zinc/29/28/65/157292865.db2.gz OOIIXMQDLSVKKG-RRQGHBQHSA-N 2 0 294.389 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccs2)[C@@H]2CCC[C@H]21 ZINC000375847374 157296358 /nfs/dbraw/zinc/29/63/58/157296358.db2.gz AOIMIZYLDCLWSN-MELADBBJSA-N 2 0 250.411 2.711 20 0 CFADRP CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902068 157302240 /nfs/dbraw/zinc/30/22/40/157302240.db2.gz MBNRENFKUYURPN-KRWDZBQOSA-N 2 0 281.488 2.667 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)C1CC1 ZINC000376085058 157321886 /nfs/dbraw/zinc/32/18/86/157321886.db2.gz UUCUKEJDAPRTGI-LSDHHAIUSA-N 2 0 290.455 2.520 20 0 CFADRP CCC[NH+]1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000376106759 157323614 /nfs/dbraw/zinc/32/36/14/157323614.db2.gz LTVHMNTYIFEASK-UHFFFAOYSA-N 2 0 282.391 2.676 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000376178154 157331841 /nfs/dbraw/zinc/33/18/41/157331841.db2.gz OEVTYRWTLGLIFU-GVDBMIGSSA-N 2 0 292.467 2.654 20 0 CFADRP CN1CCC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000651198378 413346642 /nfs/dbraw/zinc/34/66/42/413346642.db2.gz GNONPTDTXQGKJP-KRWDZBQOSA-N 2 0 258.409 2.618 20 0 CFADRP CCc1nc(C)cc(N2CCC[C@H](Cc3nccn3C)C2)n1 ZINC000376399774 157350458 /nfs/dbraw/zinc/35/04/58/157350458.db2.gz YWPWNLBHJCWPFO-CQSZACIVSA-N 2 0 299.422 2.540 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000657233406 413351395 /nfs/dbraw/zinc/35/13/95/413351395.db2.gz CABUJKWJTFAHDS-NJAFHUGGSA-N 2 0 288.435 2.905 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000651227062 413357792 /nfs/dbraw/zinc/35/77/92/413357792.db2.gz VGQTXOZSQCPNGV-CABCVRRESA-N 2 0 270.461 2.638 20 0 CFADRP CSC1(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCC1 ZINC000306025401 286656785 /nfs/dbraw/zinc/65/67/85/286656785.db2.gz MSEIITPSMRQVTQ-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP CCn1ccnc1[C@@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000651303748 413397730 /nfs/dbraw/zinc/39/77/30/413397730.db2.gz AHPNBMOKBBKWOM-GFCCVEGCSA-N 2 0 282.351 2.657 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000415027378 286804550 /nfs/dbraw/zinc/80/45/50/286804550.db2.gz WNUGYNCJIJELCX-VYDXJSESSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422730341 286804577 /nfs/dbraw/zinc/80/45/77/286804577.db2.gz JQJZFYAREAYSHU-KBPBESRZSA-N 2 0 281.469 2.602 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422796219 533677579 /nfs/dbraw/zinc/67/75/79/533677579.db2.gz XUNDJTJSFJONRG-KEYYUXOJSA-N 2 0 292.423 2.570 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCCCC1 ZINC000194171184 286811554 /nfs/dbraw/zinc/81/15/54/286811554.db2.gz MURLPWBLHMVKMI-YLFCFFPRSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CO1 ZINC000657297299 413412824 /nfs/dbraw/zinc/41/28/24/413412824.db2.gz HJKICLAZOBWKJP-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000651349886 413413543 /nfs/dbraw/zinc/41/35/43/413413543.db2.gz KXVWEEQXWAXMAK-WMLDXEAASA-N 2 0 260.425 2.721 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000657296433 413414669 /nfs/dbraw/zinc/41/46/69/413414669.db2.gz HTWLQFGFEPVZMP-ZWKOTPCHSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414944171 298384759 /nfs/dbraw/zinc/38/47/59/298384759.db2.gz PBSFVNCDODOERK-GMTAPVOTSA-N 2 0 252.324 2.695 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000657307254 413425619 /nfs/dbraw/zinc/42/56/19/413425619.db2.gz DSRDAEGNPVMJIO-QZTJIDSGSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423445531 298392881 /nfs/dbraw/zinc/39/28/81/298392881.db2.gz YAOCCOCINXBIRI-DOMZBBRYSA-N 2 0 262.397 2.877 20 0 CFADRP COC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000237239489 161539875 /nfs/dbraw/zinc/53/98/75/161539875.db2.gz APSROJACNHAWRR-HNNXBMFYSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC(F)(F)F ZINC000093516434 286892725 /nfs/dbraw/zinc/89/27/25/286892725.db2.gz JMODIYWBVISFLC-WDEREUQCSA-N 2 0 252.324 2.839 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000660617294 413433522 /nfs/dbraw/zinc/43/35/22/413433522.db2.gz WRHMKQGKOLDWON-TZMCWYRMSA-N 2 0 260.372 2.695 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(CC)CC ZINC000344306848 162004043 /nfs/dbraw/zinc/00/40/43/162004043.db2.gz YJAFATJOJFHLCI-CVEARBPZSA-N 2 0 280.456 2.822 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344330190 162012801 /nfs/dbraw/zinc/01/28/01/162012801.db2.gz NTJNHSBXUZWGRA-HZPDHXFCSA-N 2 0 280.456 2.822 20 0 CFADRP Cc1cc(NCC2([NH+](C)C)CCCCCC2)cc[nH+]1 ZINC000344510822 162058274 /nfs/dbraw/zinc/05/82/74/162058274.db2.gz GCVWIPNYSXUVFR-UHFFFAOYSA-N 2 0 261.413 2.878 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000344611706 162080127 /nfs/dbraw/zinc/08/01/27/162080127.db2.gz MKUBBHDMPJBGNE-NWDGAFQWSA-N 2 0 250.411 2.771 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000345166780 162192818 /nfs/dbraw/zinc/19/28/18/162192818.db2.gz CCSNDLFSGLGNFH-UHFFFAOYSA-N 2 0 277.437 2.762 20 0 CFADRP [NH3+][C@@H]1CCCN(CCc2ccc3ccccc3c2)C1 ZINC000346087238 162315370 /nfs/dbraw/zinc/31/53/70/162315370.db2.gz IRSRZJMJFHMXAI-QGZVFWFLSA-N 2 0 254.377 2.805 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc2cccnc12 ZINC000346205135 162351971 /nfs/dbraw/zinc/35/19/71/162351971.db2.gz QUTJYWLZYMGEDM-OAHLLOKOSA-N 2 0 283.419 2.927 20 0 CFADRP CC[C@H](C)[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000346217945 162354362 /nfs/dbraw/zinc/35/43/62/162354362.db2.gz LOTCGMPDJAPTAE-NSHDSACASA-N 2 0 267.442 2.798 20 0 CFADRP CC[C@H]1CCC[C@@H](C[N@H+](C)C2CCN(CCO)CC2)C1 ZINC000346215310 162354544 /nfs/dbraw/zinc/35/45/44/162354544.db2.gz PTVGFJBYNPOTSK-JKSUJKDBSA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H](C)N(CCn1ccnc1C)CC(=O)OC(C)(C)C ZINC000346320802 162384458 /nfs/dbraw/zinc/38/44/58/162384458.db2.gz ZPFNHMYHBQELPN-CYBMUJFWSA-N 2 0 295.427 2.634 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000346336865 162386615 /nfs/dbraw/zinc/38/66/15/162386615.db2.gz PVGIPVAQAPZXGR-HZSPNIEDSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCO[C@@H](C)C2)CC1 ZINC000346373560 162395661 /nfs/dbraw/zinc/39/56/61/162395661.db2.gz SMHUMMNRAPEWFX-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000347175447 162618111 /nfs/dbraw/zinc/61/81/11/162618111.db2.gz PMGUJXBFXYCTRZ-UHFFFAOYSA-N 2 0 284.350 2.719 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000349723899 163009210 /nfs/dbraw/zinc/00/92/10/163009210.db2.gz SFRARVCRRRDZBJ-UIDBIOKJSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nc2ccccn2c1CN1CC[NH+](C2CCCC2)CC1 ZINC000349799445 163018073 /nfs/dbraw/zinc/01/80/73/163018073.db2.gz JLQJLJHGOCDCOP-UHFFFAOYSA-N 2 0 298.434 2.703 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000350146302 163062727 /nfs/dbraw/zinc/06/27/27/163062727.db2.gz LGYHROFDBHZJPC-UHFFFAOYSA-N 2 0 292.471 2.672 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000350142900 163062890 /nfs/dbraw/zinc/06/28/90/163062890.db2.gz KPTCAYSPZLMDCB-UHFFFAOYSA-N 2 0 256.777 2.707 20 0 CFADRP C[C@@H](C[NH2+]CC1(C)CC[NH+](C)CC1)CC1CCOCC1 ZINC000350357004 163073770 /nfs/dbraw/zinc/07/37/70/163073770.db2.gz OXAQXBALSAUHDW-OAHLLOKOSA-N 2 0 282.472 2.761 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351331731 163127123 /nfs/dbraw/zinc/12/71/23/163127123.db2.gz SOBGSLGODOQOFO-MSOLQXFVSA-N 2 0 293.499 2.525 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000351614923 163159433 /nfs/dbraw/zinc/15/94/33/163159433.db2.gz JEKOOCQWCLNXBL-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP CCc1nocc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351810944 163196320 /nfs/dbraw/zinc/19/63/20/163196320.db2.gz OICBEPOBDLLLKU-CXAGYDPISA-N 2 0 289.423 2.686 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000352693442 163223307 /nfs/dbraw/zinc/22/33/07/163223307.db2.gz LEJCAQHNZPKGNQ-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cnn(C)c1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352768159 163230803 /nfs/dbraw/zinc/23/08/03/163230803.db2.gz FIEASPPGWYNIID-GJZGRUSLSA-N 2 0 292.471 2.576 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000352840561 163249893 /nfs/dbraw/zinc/24/98/93/163249893.db2.gz NTXWRFCINJDBNW-DOTOQJQBSA-N 2 0 280.456 2.681 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(CCc3noc4ccccc43)C2)C1 ZINC000653705199 413456951 /nfs/dbraw/zinc/45/69/51/413456951.db2.gz WIMDIPGRPDGJKJ-SFHVURJKSA-N 2 0 299.418 2.788 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)NCc1cnc2ccc(C)cn12 ZINC000353092687 163305202 /nfs/dbraw/zinc/30/52/02/163305202.db2.gz JGNKBJMWYQARQM-HNNXBMFYSA-N 2 0 288.439 2.853 20 0 CFADRP CSC1(C[NH2+]Cc2cccs2)CC[NH+](C)CC1 ZINC000353213585 163317274 /nfs/dbraw/zinc/31/72/74/163317274.db2.gz TXYHXUBTRCAMAU-UHFFFAOYSA-N 2 0 270.467 2.665 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2 ZINC000353390139 163355689 /nfs/dbraw/zinc/35/56/89/163355689.db2.gz YAAMBMUZOJFQHW-GRTSSRMGSA-N 2 0 290.407 2.939 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000353392325 163356931 /nfs/dbraw/zinc/35/69/31/163356931.db2.gz FVDMBVHDRXBJNN-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP CCC1(C[NH2+]C2CCC([NH+](C)C)CC2)CCOCC1 ZINC000353521743 163384490 /nfs/dbraw/zinc/38/44/90/163384490.db2.gz SKINJZDBEYKKJI-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000353531540 163385942 /nfs/dbraw/zinc/38/59/42/163385942.db2.gz VMEYTYAXYPXSEE-UHFFFAOYSA-N 2 0 279.453 2.983 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000354432500 287019356 /nfs/dbraw/zinc/01/93/56/287019356.db2.gz YTNGOOKSFBKCKJ-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000453104917 287025125 /nfs/dbraw/zinc/02/51/25/287025125.db2.gz VTVAFIOUAFJKEY-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccs1 ZINC000268905435 287023012 /nfs/dbraw/zinc/02/30/12/287023012.db2.gz LTGUMZSLFRMFIR-KGLIPLIRSA-N 2 0 282.453 2.636 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423410176 287036346 /nfs/dbraw/zinc/03/63/46/287036346.db2.gz RKLCLUXEPQDCOQ-CABCVRRESA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1CCCO1 ZINC000346839482 287049733 /nfs/dbraw/zinc/04/97/33/287049733.db2.gz TYRQHEOZGHDVMW-KLZNWCGWSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000660655011 413470925 /nfs/dbraw/zinc/47/09/25/413470925.db2.gz JZRKHCPLSPQKQG-QGZVFWFLSA-N 2 0 258.409 2.647 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657345930 413475572 /nfs/dbraw/zinc/47/55/72/413475572.db2.gz AUUIPEYBHPNTFM-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000020128449 171015140 /nfs/dbraw/zinc/01/51/40/171015140.db2.gz MPLAWTNBTCXGGE-QGZVFWFLSA-N 2 0 289.467 2.592 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000020128388 171015240 /nfs/dbraw/zinc/01/52/40/171015240.db2.gz URMKLZMUKWKJHX-CQSZACIVSA-N 2 0 295.858 2.628 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020129041 171016078 /nfs/dbraw/zinc/01/60/78/171016078.db2.gz CBCBYTPCKOPDBS-AWEZNQCLSA-N 2 0 262.397 2.832 20 0 CFADRP COCc1csc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1 ZINC000657346832 413478604 /nfs/dbraw/zinc/47/86/04/413478604.db2.gz JERKOGZZOOFTIU-LBPRGKRZSA-N 2 0 293.436 2.825 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657345932 413478830 /nfs/dbraw/zinc/47/88/30/413478830.db2.gz AUUIPEYBHPNTFM-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CC1=CC[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000284985726 196171540 /nfs/dbraw/zinc/17/15/40/196171540.db2.gz GGUOHMGRUJAUTL-INIZCTEOSA-N 2 0 289.423 2.610 20 0 CFADRP C[C@@H](c1cccnc1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659119 413479822 /nfs/dbraw/zinc/47/98/22/413479822.db2.gz NIEMMOQGSUDWQE-HOCLYGCPSA-N 2 0 259.397 2.560 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662361 413480363 /nfs/dbraw/zinc/48/03/63/413480363.db2.gz IWHYANGLVXUUEY-ZWKOTPCHSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657355048 413484959 /nfs/dbraw/zinc/48/49/59/413484959.db2.gz ACWBNXGMLWICNE-HDJSIYSDSA-N 2 0 270.380 2.936 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657353903 413485474 /nfs/dbraw/zinc/48/54/74/413485474.db2.gz KZUDYYBGBXRHIM-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CCC[C@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657355082 413485908 /nfs/dbraw/zinc/48/59/08/413485908.db2.gz AYGMHXGBKMTSPO-CYBMUJFWSA-N 2 0 292.398 2.798 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000651473690 413492311 /nfs/dbraw/zinc/49/23/11/413492311.db2.gz AMLCBGWRYFIMAK-AWEZNQCLSA-N 2 0 282.472 2.638 20 0 CFADRP COCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000651475132 413495765 /nfs/dbraw/zinc/49/57/65/413495765.db2.gz MQEDLEPXPLISHX-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000660696159 413504045 /nfs/dbraw/zinc/50/40/45/413504045.db2.gz NYNDPDGJKGOSAT-UHFFFAOYSA-N 2 0 296.499 2.885 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000660695221 413504529 /nfs/dbraw/zinc/50/45/29/413504529.db2.gz FYRFFPPOAMDXGK-IRXDYDNUSA-N 2 0 296.499 2.885 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000660698324 413504708 /nfs/dbraw/zinc/50/47/08/413504708.db2.gz PJKNKRWJIBYGGQ-INIZCTEOSA-N 2 0 284.488 2.741 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000657377114 413520181 /nfs/dbraw/zinc/52/01/81/413520181.db2.gz YQDMQTXBNUTNSR-GOEBONIOSA-N 2 0 276.424 2.966 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(COC)cs2)[C@H](C)C1 ZINC000657377312 413522441 /nfs/dbraw/zinc/52/24/41/413522441.db2.gz BZYAJXSIJIUEIX-DOMZBBRYSA-N 2 0 282.453 2.714 20 0 CFADRP Cc1c[nH]c(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000657385148 413533356 /nfs/dbraw/zinc/53/33/56/413533356.db2.gz YRFBUTKYKKOISR-HNNXBMFYSA-N 2 0 286.423 2.718 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3cnccc3o2)CCN1C ZINC000651644542 413541316 /nfs/dbraw/zinc/54/13/16/413541316.db2.gz VESWAKAOEDCICP-TZMCWYRMSA-N 2 0 273.380 2.742 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CO1 ZINC000657391043 413543725 /nfs/dbraw/zinc/54/37/25/413543725.db2.gz MUMWZTWHQHDWHH-IAGOWNOFSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000651681879 413566321 /nfs/dbraw/zinc/56/63/21/413566321.db2.gz CFBBICCMWGOLCO-INIZCTEOSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651705336 413582730 /nfs/dbraw/zinc/58/27/30/413582730.db2.gz PHPAXSNUBAMSBI-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651705126 413583036 /nfs/dbraw/zinc/58/30/36/413583036.db2.gz IIJOPGZFLYWQSC-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000651732109 413598270 /nfs/dbraw/zinc/59/82/70/413598270.db2.gz JIECEHPMFGIALD-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1c[nH]c(C[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000657416135 413573160 /nfs/dbraw/zinc/57/31/60/413573160.db2.gz RPHBQJVLVHVTHF-UHFFFAOYSA-N 2 0 290.455 2.851 20 0 CFADRP CN(CCC[NH+](C)C)CCNc1nc2ccccc2s1 ZINC000664248122 413651486 /nfs/dbraw/zinc/65/14/86/413651486.db2.gz WTLVWBCMLSMTJQ-UHFFFAOYSA-N 2 0 292.452 2.592 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@@H](C)C[NH+](C)C)[nH]c2c1 ZINC000657472583 413652511 /nfs/dbraw/zinc/65/25/11/413652511.db2.gz WGOLNXXHDSJWKF-CYBMUJFWSA-N 2 0 259.397 2.764 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4cnccc4o3)C2)CC1 ZINC000651809025 413652446 /nfs/dbraw/zinc/65/24/46/413652446.db2.gz LNOXOWPLJANSFC-HNNXBMFYSA-N 2 0 299.418 2.992 20 0 CFADRP CC(F)(F)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657476121 413656905 /nfs/dbraw/zinc/65/69/05/413656905.db2.gz ASLXBCJDIYOJDV-UHFFFAOYSA-N 2 0 280.322 2.792 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753578 413614171 /nfs/dbraw/zinc/61/41/71/413614171.db2.gz WJBGSPVKADONJN-IRXDYDNUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651750365 413616024 /nfs/dbraw/zinc/61/60/24/413616024.db2.gz FKLCOVXNMUFIIQ-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000285431774 196282409 /nfs/dbraw/zinc/28/24/09/196282409.db2.gz HNAWBCXEJMXXTH-YIONKMFJSA-N 2 0 292.398 2.891 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(F)F ZINC000657497902 413688611 /nfs/dbraw/zinc/68/86/11/413688611.db2.gz GIUJHULFTXLLBY-LLVKDONJSA-N 2 0 280.322 2.648 20 0 CFADRP COCc1cccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1 ZINC000657525614 413702350 /nfs/dbraw/zinc/70/23/50/413702350.db2.gz UIHIJRDVBTVBIX-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP COCc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000657522318 413702771 /nfs/dbraw/zinc/70/27/71/413702771.db2.gz ASTOBJDJAYLWQR-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP COCc1cccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC000657525612 413703556 /nfs/dbraw/zinc/70/35/56/413703556.db2.gz UIHIJRDVBTVBIX-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000657524378 413705051 /nfs/dbraw/zinc/70/50/51/413705051.db2.gz OFIDIMXWTIXSJN-CQSZACIVSA-N 2 0 262.397 2.658 20 0 CFADRP CC1(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000285454841 196289368 /nfs/dbraw/zinc/28/93/68/196289368.db2.gz MNVBFOHVFGLOAT-UHFFFAOYSA-N 2 0 288.435 2.525 20 0 CFADRP CC[N@H+](CCCNC1CC[NH+](C)CC1)C1CCCCC1 ZINC000651910424 413710110 /nfs/dbraw/zinc/71/01/10/413710110.db2.gz SYIDVZNEZBMGIO-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP Cc1nccc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000664364135 413712944 /nfs/dbraw/zinc/71/29/44/413712944.db2.gz NCLARFQBNKQVDK-KRWDZBQOSA-N 2 0 296.418 2.538 20 0 CFADRP Cc1nccc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000664364136 413713066 /nfs/dbraw/zinc/71/30/66/413713066.db2.gz NCLARFQBNKQVDK-QGZVFWFLSA-N 2 0 296.418 2.538 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000651928867 413718378 /nfs/dbraw/zinc/71/83/78/413718378.db2.gz WYFFEONXKDJHPW-QGZVFWFLSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000651948801 413736497 /nfs/dbraw/zinc/73/64/97/413736497.db2.gz WRCFGLZCPDBFMD-KRWDZBQOSA-N 2 0 276.424 2.749 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1C ZINC000657613519 413793137 /nfs/dbraw/zinc/79/31/37/413793137.db2.gz MISLQNZQCOAINL-IIDMSEBBSA-N 2 0 287.451 2.928 20 0 CFADRP Cc1occc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613942 413793928 /nfs/dbraw/zinc/79/39/28/413793928.db2.gz XZVSWADSKXTQIT-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCCCCC1 ZINC000657574003 413761802 /nfs/dbraw/zinc/76/18/02/413761802.db2.gz SMCWGCHLBLMFFA-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657595780 413778006 /nfs/dbraw/zinc/77/80/06/413778006.db2.gz SDMALRFJXMBTEU-JLSDUUJJSA-N 2 0 288.435 2.531 20 0 CFADRP OCC1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000652037571 413782023 /nfs/dbraw/zinc/78/20/23/413782023.db2.gz TYVMEIDUUJAZPE-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000285499567 196306415 /nfs/dbraw/zinc/30/64/15/196306415.db2.gz FAQVERQXSMERTM-RYQLBKOJSA-N 2 0 290.451 2.772 20 0 CFADRP c1ccc(O[C@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657647593 413819054 /nfs/dbraw/zinc/81/90/54/413819054.db2.gz MINWRBWUTILVFZ-XLMAVXFVSA-N 2 0 286.419 2.813 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346857548 287272984 /nfs/dbraw/zinc/27/29/84/287272984.db2.gz WWGFQUPGESMHCZ-FGTMMUONSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346213 413899678 /nfs/dbraw/zinc/89/96/78/413899678.db2.gz WPIWQFMXFRIZOZ-BZZMCLGOSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000664692024 413905780 /nfs/dbraw/zinc/90/57/80/413905780.db2.gz GFZIGYOKCNLXLV-CRAIPNDOSA-N 2 0 288.435 2.628 20 0 CFADRP C[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652355590 413906672 /nfs/dbraw/zinc/90/66/72/413906672.db2.gz AQINDYMSDZYCMZ-NVXWUHKLSA-N 2 0 275.440 2.572 20 0 CFADRP COc1cccc(OCC[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652355784 413907177 /nfs/dbraw/zinc/90/71/77/413907177.db2.gz HTQCSZZAKZKRRR-WMLDXEAASA-N 2 0 292.423 2.523 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000652358474 413908358 /nfs/dbraw/zinc/90/83/58/413908358.db2.gz IGTRMPSKMLHMJD-INIZCTEOSA-N 2 0 276.424 2.702 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813853 413962844 /nfs/dbraw/zinc/96/28/44/413962844.db2.gz BUXXEDVMFSALCX-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000657815258 413963366 /nfs/dbraw/zinc/96/33/66/413963366.db2.gz NTPQBEWTIACMHP-CZUORRHYSA-N 2 0 282.497 2.982 20 0 CFADRP COc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000657812575 413963396 /nfs/dbraw/zinc/96/33/96/413963396.db2.gz SXBZUEISMMTRJS-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@H](C[NH2+]C1CC(CF)(CF)C1)N1CCCC[C@@H]1C ZINC000657834969 413988512 /nfs/dbraw/zinc/98/85/12/413988512.db2.gz JLKBGIDDZRJLRH-QWHCGFSZSA-N 2 0 274.399 2.927 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657838868 413991077 /nfs/dbraw/zinc/99/10/77/413991077.db2.gz ZSAZCNHPCWPKDW-HZPDHXFCSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657838866 413991563 /nfs/dbraw/zinc/99/15/63/413991563.db2.gz ZSAZCNHPCWPKDW-HOTGVXAUSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CC[NH2+]CC2)C1 ZINC000246721622 287274814 /nfs/dbraw/zinc/27/48/14/287274814.db2.gz XPZKICVCQYQWBP-AEFFLSMTSA-N 3 0 293.499 2.572 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000037210080 173032138 /nfs/dbraw/zinc/03/21/38/173032138.db2.gz ZKMVWIXWKSLLJS-LBPRGKRZSA-N 2 0 250.361 2.646 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000037213727 173034800 /nfs/dbraw/zinc/03/48/00/173034800.db2.gz QDXREVNFXACSDR-OAHLLOKOSA-N 2 0 262.397 2.614 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657941388 414066382 /nfs/dbraw/zinc/06/63/82/414066382.db2.gz UZSFLZAKFXSTEA-NSHDSACASA-N 2 0 281.350 2.932 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037408357 173185118 /nfs/dbraw/zinc/18/51/18/173185118.db2.gz URNLBXUPHBRJKD-HUUCEWRRSA-N 2 0 258.409 2.864 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657973936 414082646 /nfs/dbraw/zinc/08/26/46/414082646.db2.gz VRYAUWXVUFOJJJ-PMPSAXMXSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccn2)[C@H](C)C1 ZINC000658062682 414143229 /nfs/dbraw/zinc/14/32/29/414143229.db2.gz PHNFFGVYZIFOMO-LZWOXQAQSA-N 2 0 261.413 2.505 20 0 CFADRP c1ccc2c(CC[NH2+]C3CC[NH+](CC4CC4)CC3)noc2c1 ZINC000658065770 414148910 /nfs/dbraw/zinc/14/89/10/414148910.db2.gz FSFSSEXSHZTSNR-UHFFFAOYSA-N 2 0 299.418 2.834 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccoc1 ZINC000658066475 414150600 /nfs/dbraw/zinc/15/06/00/414150600.db2.gz AUXIKDSSCGRJIN-CQSZACIVSA-N 2 0 292.423 2.821 20 0 CFADRP C([NH2+]C(C1CC1)C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000658066913 414152243 /nfs/dbraw/zinc/15/22/43/414152243.db2.gz GNURTECPFFZCEK-UHFFFAOYSA-N 2 0 292.467 2.656 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070821 414153911 /nfs/dbraw/zinc/15/39/11/414153911.db2.gz RLTQHYZNXNYWAQ-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657989075 414092946 /nfs/dbraw/zinc/09/29/46/414092946.db2.gz FCHQTWQJWOQQRL-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C(F)F ZINC000657992175 414095541 /nfs/dbraw/zinc/09/55/41/414095541.db2.gz CTKWISJJMDSOPH-STQMWFEESA-N 2 0 292.414 2.757 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(C)(C)C(F)F ZINC000658033890 414118438 /nfs/dbraw/zinc/11/84/38/414118438.db2.gz CDMSGDBRWTZKMY-RYUDHWBXSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C(C)(C)C(F)F ZINC000658033889 414119176 /nfs/dbraw/zinc/11/91/76/414119176.db2.gz CDMSGDBRWTZKMY-NWDGAFQWSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)O1 ZINC000665265042 414220250 /nfs/dbraw/zinc/22/02/50/414220250.db2.gz OHFODUSGDHYZIJ-BHTHQVBYSA-N 2 0 260.381 2.678 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263598 414221027 /nfs/dbraw/zinc/22/10/27/414221027.db2.gz PYCUIDFNKRHAQF-XLAORIBOSA-N 2 0 288.435 2.809 20 0 CFADRP C[C@@H]([NH2+]CCc1cn(C)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000665265054 414221351 /nfs/dbraw/zinc/22/13/51/414221351.db2.gz OKWBHUZKFQHQJE-RHSMWYFYSA-N 2 0 285.435 2.841 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000665264790 414222220 /nfs/dbraw/zinc/22/22/20/414222220.db2.gz IHMKPQPPLOGYGX-BHYGNILZSA-N 2 0 297.446 2.699 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000665265662 414222727 /nfs/dbraw/zinc/22/27/27/414222727.db2.gz YXZZXOLBEWTRRK-FXUDXRNXSA-N 2 0 268.445 2.844 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665277139 414239477 /nfs/dbraw/zinc/23/94/77/414239477.db2.gz UTCXWGAYEOFBEB-JSGCOSHPSA-N 2 0 289.448 2.817 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1(F)F ZINC000665267169 414228095 /nfs/dbraw/zinc/22/80/95/414228095.db2.gz QWCJVSIJUIICDP-CRWXNKLISA-N 2 0 272.383 2.932 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000665274479 414230172 /nfs/dbraw/zinc/23/01/72/414230172.db2.gz QVXRWQLJWDXARG-GMKTYKIGSA-N 2 0 258.356 2.814 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665272618 414230509 /nfs/dbraw/zinc/23/05/09/414230509.db2.gz IJVSALAUPWQFTA-SGTLLEGYSA-N 2 0 296.418 2.769 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1(F)F ZINC000665274520 414230942 /nfs/dbraw/zinc/23/09/42/414230942.db2.gz SAHRJWFFLFKLOH-XQHKEYJVSA-N 2 0 272.383 2.788 20 0 CFADRP C1=C(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000665273950 414231288 /nfs/dbraw/zinc/23/12/88/414231288.db2.gz GVAMAGBHVGHTLL-WMZOPIPTSA-N 2 0 284.403 2.942 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC(F)CC1 ZINC000665274338 414232226 /nfs/dbraw/zinc/23/22/26/414232226.db2.gz OFVRMKAHQZLIJM-SJPNVSTRSA-N 2 0 254.393 2.776 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658145264 414233232 /nfs/dbraw/zinc/23/32/32/414233232.db2.gz QXBSKTOAXQUEGD-RLFYNMQTSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)C ZINC000658139143 414234469 /nfs/dbraw/zinc/23/44/69/414234469.db2.gz LGGRGLMBBORMEQ-WMLDXEAASA-N 2 0 290.451 2.777 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000665230235 414189134 /nfs/dbraw/zinc/18/91/34/414189134.db2.gz LHRVZUSMCKGNGV-SWHNLWLKSA-N 2 0 280.456 2.702 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccnc2c1 ZINC000665238858 414197036 /nfs/dbraw/zinc/19/70/36/414197036.db2.gz GCAIBGTWWUXOOU-GVDBMIGSSA-N 2 0 295.430 2.755 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239097 414198846 /nfs/dbraw/zinc/19/88/46/414198846.db2.gz LZTZRCLSWDAFLJ-BWJWTDLKSA-N 2 0 282.472 2.791 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246400 414206361 /nfs/dbraw/zinc/20/63/61/414206361.db2.gz DSNGXKFFOZHHQZ-HIFRSBDPSA-N 2 0 262.397 2.624 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246399 414207091 /nfs/dbraw/zinc/20/70/91/414207091.db2.gz DSNGXKFFOZHHQZ-DZGCQCFKSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263000 414218587 /nfs/dbraw/zinc/21/85/87/414218587.db2.gz DOEIRHMOOPCLQL-XIRDDKMYSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665261592 414218968 /nfs/dbraw/zinc/21/89/68/414218968.db2.gz HHXSPGCHZKBNEF-QJPTWQEYSA-N 2 0 284.350 2.592 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263599 414219949 /nfs/dbraw/zinc/21/99/49/414219949.db2.gz PYCUIDFNKRHAQF-XSLAGTTESA-N 2 0 288.435 2.809 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280348 414242079 /nfs/dbraw/zinc/24/20/79/414242079.db2.gz ZHVAGISXWFXGKP-TZMCWYRMSA-N 2 0 250.386 2.719 20 0 CFADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]1c1ccccc1 ZINC000665279938 414242672 /nfs/dbraw/zinc/24/26/72/414242672.db2.gz PPGLTFXRGUBMOL-PDAVIYLQSA-N 2 0 256.393 2.520 20 0 CFADRP CC(C)CC[C@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279864 414245632 /nfs/dbraw/zinc/24/56/32/414245632.db2.gz NUSMFLLPXKPZRQ-UIDBIOKJSA-N 2 0 250.430 2.933 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000665283073 414246282 /nfs/dbraw/zinc/24/62/82/414246282.db2.gz HGXTXHZJIKRFPP-ARFHVFGLSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)C1CCCCC1 ZINC000665282819 414247782 /nfs/dbraw/zinc/24/77/82/414247782.db2.gz CHOYRMGEEPRCFG-VRKREXBASA-N 2 0 268.445 2.545 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000665283090 414248148 /nfs/dbraw/zinc/24/81/48/414248148.db2.gz HLXORHCUMPOMRX-NEPJUHHUSA-N 2 0 288.313 2.787 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281553 414249018 /nfs/dbraw/zinc/24/90/18/414249018.db2.gz GQVLPWNHAYFQEF-GHMZBOCLSA-N 2 0 256.415 2.781 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661835881 414250884 /nfs/dbraw/zinc/25/08/84/414250884.db2.gz AXWCJCRIOUNAIP-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000665283827 414252333 /nfs/dbraw/zinc/25/23/33/414252333.db2.gz VTXGFFBPOVWBMC-AVVWSFFYSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000658167454 414253344 /nfs/dbraw/zinc/25/33/44/414253344.db2.gz YCBLOVDMZFXCKT-IIDMSEBBSA-N 2 0 287.451 2.928 20 0 CFADRP C[NH2+]C[C@H](C)N[C@H]1CCc2cc(Br)ccc2C1 ZINC000665294215 414263215 /nfs/dbraw/zinc/26/32/15/414263215.db2.gz KJPNQCFMJRCRMF-HZMBPMFUSA-N 2 0 297.240 2.504 20 0 CFADRP C[C@H]([NH2+]C[C@]1(c2ccccc2)CC1(C)C)C1C[NH2+]C1 ZINC000665299065 414271118 /nfs/dbraw/zinc/27/11/18/414271118.db2.gz FRLPCNFWUPOMDZ-GUYCJALGSA-N 2 0 258.409 2.552 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000665300158 414273213 /nfs/dbraw/zinc/27/32/13/414273213.db2.gz ZFOPOKFXRDNMBR-RTBURBONSA-N 3 0 299.462 2.843 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000665301260 414275410 /nfs/dbraw/zinc/27/54/10/414275410.db2.gz SHSOBFRPRGWSDJ-UWVGGRQHSA-N 2 0 252.324 2.695 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[C@H]2C[C@H]21 ZINC000658208139 414284838 /nfs/dbraw/zinc/28/48/38/414284838.db2.gz XZNLZKGBIGVITC-ZMSDIMECSA-N 2 0 262.441 2.887 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661874474 414289686 /nfs/dbraw/zinc/28/96/86/414289686.db2.gz JCPOQGJSZQIOQB-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@H]2CCC[C@H]21 ZINC000658218207 414293117 /nfs/dbraw/zinc/29/31/17/414293117.db2.gz CYJHGOKGKHFLSM-XJFOESAGSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1 ZINC000037714756 173633121 /nfs/dbraw/zinc/63/31/21/173633121.db2.gz BFUQUFKDPLKBRX-JTQLQIEISA-N 2 0 271.202 2.839 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658225027 414301620 /nfs/dbraw/zinc/30/16/20/414301620.db2.gz RBUHFNRCFSHSST-RWMBFGLXSA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)[C@@H](C)C1 ZINC000658285767 414345362 /nfs/dbraw/zinc/34/53/62/414345362.db2.gz YEAUTUKQLZWGHY-SDDRHHMPSA-N 2 0 260.372 2.598 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000655682956 414358157 /nfs/dbraw/zinc/35/81/57/414358157.db2.gz OBVRYXWHKNBKAD-ZIAGYGMSSA-N 2 0 256.459 2.736 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000655688694 414361482 /nfs/dbraw/zinc/36/14/82/414361482.db2.gz AWQMEHKHORNNQU-KRWDZBQOSA-N 2 0 290.451 2.849 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C1CCCC1 ZINC000658316444 414370580 /nfs/dbraw/zinc/37/05/80/414370580.db2.gz QFNSZHHQVUQTBD-VVLHAWIVSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000658328924 414377640 /nfs/dbraw/zinc/37/76/40/414377640.db2.gz IFXRCFAWCNCOMG-CWRNSKLLSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H](OC)C2CCCCC2)CC1 ZINC000658329952 414378617 /nfs/dbraw/zinc/37/86/17/414378617.db2.gz OYQKPTRLLXLWPQ-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000658329328 414379232 /nfs/dbraw/zinc/37/92/32/414379232.db2.gz LBEWKCREAZEIMB-PVAVHDDUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000655715965 414386046 /nfs/dbraw/zinc/38/60/46/414386046.db2.gz MFMOZXPYKRWFHI-JSGCOSHPSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655716937 414386477 /nfs/dbraw/zinc/38/64/77/414386477.db2.gz QLZAIEOUIVENLV-GXTWGEPZSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655786267 414431629 /nfs/dbraw/zinc/43/16/29/414431629.db2.gz OOAIQBFJLQGNHU-IRXDYDNUSA-N 2 0 280.456 2.797 20 0 CFADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000662147322 414432282 /nfs/dbraw/zinc/43/22/82/414432282.db2.gz DMPBSBWELWKVMV-GOSISDBHSA-N 2 0 294.483 2.878 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000662156501 414434050 /nfs/dbraw/zinc/43/40/50/414434050.db2.gz MNBTYVUVIJKZHV-JFIYKMOQSA-N 2 0 294.483 2.734 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655788654 414435939 /nfs/dbraw/zinc/43/59/39/414435939.db2.gz MGLRHHVYZJMMOW-ZWKOTPCHSA-N 2 0 292.467 2.798 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000655802644 414446959 /nfs/dbraw/zinc/44/69/59/414446959.db2.gz GGFYROQMESEECL-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000655803995 414448493 /nfs/dbraw/zinc/44/84/93/414448493.db2.gz LOEHGPQIOIYSGE-MAZHCROVSA-N 2 0 296.842 2.957 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655804874 414448717 /nfs/dbraw/zinc/44/87/17/414448717.db2.gz DVJMFMWSKJBRIU-MRRJBJDNSA-N 2 0 289.423 2.636 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000655803948 414449053 /nfs/dbraw/zinc/44/90/53/414449053.db2.gz JMQZNVKXUIUASB-SMLCLMEVSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000655803910 414449467 /nfs/dbraw/zinc/44/94/67/414449467.db2.gz HSWLOVDGHAATAP-ZOFXXKQRSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000655803742 414449627 /nfs/dbraw/zinc/44/96/27/414449627.db2.gz XKPYGYQYGYKWCL-OLMNPRSZSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805617 414450670 /nfs/dbraw/zinc/45/06/70/414450670.db2.gz JMURYELPZLWOLX-MCIONIFRSA-N 2 0 250.386 2.531 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807724 414451250 /nfs/dbraw/zinc/45/12/50/414451250.db2.gz SOZQLOZXQCTMKU-ZACQAIPSSA-N 2 0 260.425 2.938 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806102 414451749 /nfs/dbraw/zinc/45/17/49/414451749.db2.gz PFNGRMWPPBELDK-JKIFEVAISA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-n2cccn2)cc1 ZINC000655806174 414451823 /nfs/dbraw/zinc/45/18/23/414451823.db2.gz QHVNIALYAAOQTL-RLFYNMQTSA-N 2 0 298.434 2.863 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806856 414451908 /nfs/dbraw/zinc/45/19/08/414451908.db2.gz CPCLUPFZACMOSC-KCQAQPDRSA-N 2 0 292.423 2.695 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000655812289 414456051 /nfs/dbraw/zinc/45/60/51/414456051.db2.gz OCNMTERQBHOVSM-GVDBMIGSSA-N 2 0 288.435 2.966 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C)CC=CC1 ZINC000655814906 414458619 /nfs/dbraw/zinc/45/86/19/414458619.db2.gz TXPLLJVBNIPUGF-UHFFFAOYSA-N 2 0 268.364 2.774 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000655824262 414459683 /nfs/dbraw/zinc/45/96/83/414459683.db2.gz HATPPOFKENGLPR-KDYLLFBJSA-N 2 0 258.409 2.994 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000655826537 414462149 /nfs/dbraw/zinc/46/21/49/414462149.db2.gz HXNGTCDCBDFQGV-XBXGTLAGSA-N 2 0 258.365 2.863 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000655826956 414462512 /nfs/dbraw/zinc/46/25/12/414462512.db2.gz JPSGUDRFNXWEIV-DRQUAOQDSA-N 2 0 287.382 2.804 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1F ZINC000662227638 414463765 /nfs/dbraw/zinc/46/37/65/414463765.db2.gz UPOGMIBNXNIWEA-MRXNPFEDSA-N 2 0 292.398 2.971 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000655827015 414465101 /nfs/dbraw/zinc/46/51/01/414465101.db2.gz MVWQSRWIKWAPFE-KDYLLFBJSA-N 2 0 296.418 2.573 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000662234104 414465584 /nfs/dbraw/zinc/46/55/84/414465584.db2.gz IMXLRRVFIGGOLO-DJIMGWMZSA-N 2 0 258.409 2.993 20 0 CFADRP [NH3+]CC1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000662234207 414465899 /nfs/dbraw/zinc/46/58/99/414465899.db2.gz JQUAILLIGXDXII-UHFFFAOYSA-N 2 0 286.391 2.728 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C1CCCCC1 ZINC000662244710 414474034 /nfs/dbraw/zinc/47/40/34/414474034.db2.gz GFROWWWUACDVKH-CJNGLKHVSA-N 2 0 268.445 2.641 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246782 414474038 /nfs/dbraw/zinc/47/40/38/414474038.db2.gz RNRHSVBXFOBPLC-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000658352399 414398797 /nfs/dbraw/zinc/39/87/97/414398797.db2.gz GBDZDOZLHUKBAU-DVOMOZLQSA-N 2 0 250.430 2.743 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000658356743 414400064 /nfs/dbraw/zinc/40/00/64/414400064.db2.gz OYXVAOGVTQXEPT-GOSISDBHSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000662243238 414472261 /nfs/dbraw/zinc/47/22/61/414472261.db2.gz HBUQZISMISKVMY-UKPHBRMFSA-N 2 0 258.409 2.776 20 0 CFADRP CO[C@H](C[N@H+](C)CC[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662246663 414474145 /nfs/dbraw/zinc/47/41/45/414474145.db2.gz AKRLIDKAVHJYPD-JKSUJKDBSA-N 2 0 270.461 2.887 20 0 CFADRP C[C@@](C[NH3+])([NH2+]CCSc1ccc(F)cc1F)C1CC1 ZINC000662247848 414476233 /nfs/dbraw/zinc/47/62/33/414476233.db2.gz MVQSMOFMCPTSIP-AWEZNQCLSA-N 2 0 286.391 2.774 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000662250226 414476400 /nfs/dbraw/zinc/47/64/00/414476400.db2.gz BIWRUJCKZGZZCB-CVEARBPZSA-N 2 0 278.440 2.552 20 0 CFADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCc2ccccc21 ZINC000662248858 414476453 /nfs/dbraw/zinc/47/64/53/414476453.db2.gz LCAPSFUQDFPXEO-NVXWUHKLSA-N 2 0 286.419 2.517 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250786 414476576 /nfs/dbraw/zinc/47/65/76/414476576.db2.gz NVZHHGFWTRKBNZ-IUODEOHRSA-N 2 0 294.826 2.854 20 0 CFADRP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256431 414478393 /nfs/dbraw/zinc/47/83/93/414478393.db2.gz LLQRYEVZFGHXMD-HOTGVXAUSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257216 414478685 /nfs/dbraw/zinc/47/86/85/414478685.db2.gz BLAUQNFHNWQYMN-CVEARBPZSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CO[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662257518 414478800 /nfs/dbraw/zinc/47/88/00/414478800.db2.gz DOYICRHGBWOHDO-QGZVFWFLSA-N 2 0 288.435 2.579 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000662273497 414488198 /nfs/dbraw/zinc/48/81/98/414488198.db2.gz NPNOYZVGKADSJI-GVDBMIGSSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC[NH2+]CC2 ZINC000662283481 414494825 /nfs/dbraw/zinc/49/48/25/414494825.db2.gz OWKUQVCXMDJIJI-FPCVCCKLSA-N 2 0 262.441 2.887 20 0 CFADRP c1ccc2c(CC[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)noc2c1 ZINC000655939712 414495272 /nfs/dbraw/zinc/49/52/72/414495272.db2.gz UBVDVEMHGMACRR-HNNXBMFYSA-N 2 0 299.418 2.692 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662282970 414495371 /nfs/dbraw/zinc/49/53/71/414495371.db2.gz FOODNXWAVCCPFB-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000662282630 414495833 /nfs/dbraw/zinc/49/58/33/414495833.db2.gz PKNAXXLJAXAHJG-UONOGXRCSA-N 2 0 294.464 2.704 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000662294229 414496813 /nfs/dbraw/zinc/49/68/13/414496813.db2.gz PXUNVKBPNKZUQO-SFHVURJKSA-N 2 0 287.451 2.910 20 0 CFADRP C[C@H](c1ccccn1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291600 414496882 /nfs/dbraw/zinc/49/68/82/414496882.db2.gz IXZGZTCZSLQSHK-ZBFHGGJFSA-N 2 0 273.424 2.854 20 0 CFADRP c1c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)onc1C1CC1 ZINC000662292502 414496892 /nfs/dbraw/zinc/49/68/92/414496892.db2.gz FQNBVWOPONBZHO-OAHLLOKOSA-N 2 0 289.423 2.764 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC000662285225 414497374 /nfs/dbraw/zinc/49/73/74/414497374.db2.gz HUFXUXNUNKWVHZ-OBRKIGFESA-N 2 0 292.467 2.641 20 0 CFADRP CC(C)c1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000662299487 414498756 /nfs/dbraw/zinc/49/87/56/414498756.db2.gz RIUKPCQLEYQPCW-AWEZNQCLSA-N 2 0 258.409 2.778 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CCCC1 ZINC000662294591 414499049 /nfs/dbraw/zinc/49/90/49/414499049.db2.gz RGTNUBNWEVFGFD-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295190 414499791 /nfs/dbraw/zinc/49/97/91/414499791.db2.gz UDIAOQJHZYEJOZ-WMLDXEAASA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)[C@@H]1CCC[NH3+] ZINC000662312522 414503849 /nfs/dbraw/zinc/50/38/49/414503849.db2.gz HBXKROZMDRPUQA-VXGBXAGGSA-N 2 0 286.370 2.618 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312406 414504199 /nfs/dbraw/zinc/50/41/99/414504199.db2.gz FZSFTMBITGUTKI-OKZBNKHCSA-N 2 0 292.467 2.753 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCC2)C1)C1CC[NH2+]CC1 ZINC000662318409 414504832 /nfs/dbraw/zinc/50/48/32/414504832.db2.gz ZRNSVHXCQOIXAK-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)n1 ZINC000662319439 414505149 /nfs/dbraw/zinc/50/51/49/414505149.db2.gz NGCKYDGKXZPTNJ-CYBMUJFWSA-N 2 0 292.427 2.808 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCc2ccccc21 ZINC000662321363 414505815 /nfs/dbraw/zinc/50/58/15/414505815.db2.gz HMMIHWZIXFFGME-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@](C)(C(F)F)O1 ZINC000662336549 414510556 /nfs/dbraw/zinc/51/05/56/414510556.db2.gz YZAFAEPSWOSZNH-WFASDCNBSA-N 2 0 290.398 2.511 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000656196801 414531578 /nfs/dbraw/zinc/53/15/78/414531578.db2.gz LDUBISMFCSBTPS-STQMWFEESA-N 2 0 264.438 2.986 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CCO2 ZINC000656198380 414532443 /nfs/dbraw/zinc/53/24/43/414532443.db2.gz RWTAGYQYRQKBLO-WOSRLPQWSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)[C@H]1CCC[NH2+]1 ZINC000656200744 414533804 /nfs/dbraw/zinc/53/38/04/414533804.db2.gz CYUKXYCUSWDYMY-NQBHXWOUSA-N 2 0 260.372 2.931 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCC(F)(F)CC1 ZINC000656200743 414534061 /nfs/dbraw/zinc/53/40/61/414534061.db2.gz CYUKXYCUSWDYMY-MDZLAQPJSA-N 2 0 260.372 2.931 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000656200330 414534256 /nfs/dbraw/zinc/53/42/56/414534256.db2.gz LTRIMFPUJJHUFN-ZDUSSCGKSA-N 2 0 250.386 2.611 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2(CCOCc3ccccc3)CC2)C1 ZINC000656198492 414534282 /nfs/dbraw/zinc/53/42/82/414534282.db2.gz ZFCQWNBVSZELSQ-DLBZAZTESA-N 2 0 288.435 2.985 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656200571 414534391 /nfs/dbraw/zinc/53/43/91/414534391.db2.gz AGNRVTLAIPJZAR-OWSLCNJRSA-N 3 0 293.499 2.904 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC000656200370 414534731 /nfs/dbraw/zinc/53/47/31/414534731.db2.gz KTAWHTCFJSVDPU-MCIONIFRSA-N 2 0 292.448 2.789 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000656200329 414534831 /nfs/dbraw/zinc/53/48/31/414534831.db2.gz LTRIMFPUJJHUFN-CYBMUJFWSA-N 2 0 250.386 2.611 20 0 CFADRP C[C@@H](CNc1cc[nH+]c2ccccc12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210504 414537790 /nfs/dbraw/zinc/53/77/90/414537790.db2.gz DTLZJSNCBZLMQF-SOUVJXGZSA-N 2 0 299.418 2.566 20 0 CFADRP CO[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)C1CCCC1 ZINC000659853346 414588989 /nfs/dbraw/zinc/58/89/89/414588989.db2.gz SYYLBJWLWRXSLM-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC2CCC2)CC1 ZINC000659911740 414613348 /nfs/dbraw/zinc/61/33/48/414613348.db2.gz ZVBPIUDUPOUGJG-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H]2CCCC[C@H]2O)C1 ZINC000659926602 414617542 /nfs/dbraw/zinc/61/75/42/414617542.db2.gz BGGWVRDEZQIYPO-BSDSXHPESA-N 2 0 294.483 2.876 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000659844184 414581955 /nfs/dbraw/zinc/58/19/55/414581955.db2.gz HUYXPYQJYODPCO-KURKYZTESA-N 2 0 293.499 2.525 20 0 CFADRP CC[C@@H](CC(F)F)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000659845718 414582586 /nfs/dbraw/zinc/58/25/86/414582586.db2.gz XDHFIZUNVUMADY-LBPRGKRZSA-N 2 0 262.388 2.941 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000656681224 414634079 /nfs/dbraw/zinc/63/40/79/414634079.db2.gz BVABMYLCPBVXAO-QGZVFWFLSA-N 2 0 295.446 2.750 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000659949208 414628464 /nfs/dbraw/zinc/62/84/64/414628464.db2.gz VDOUTVDRZAZSDH-AEFFLSMTSA-N 2 0 294.483 2.999 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000659956846 414631367 /nfs/dbraw/zinc/63/13/67/414631367.db2.gz NQPWSELSYRUMQQ-AEFFLSMTSA-N 2 0 294.483 2.999 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCC1 ZINC000659955834 414631545 /nfs/dbraw/zinc/63/15/45/414631545.db2.gz DVRRVQCLOLQWAL-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000660010674 414648837 /nfs/dbraw/zinc/64/88/37/414648837.db2.gz KTKMIPXZJROHGM-OKZBNKHCSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCc3ccccc3)CC[C@H]21 ZINC000660010652 414649051 /nfs/dbraw/zinc/64/90/51/414649051.db2.gz KQCQHWHYMXBLAZ-ZWKOTPCHSA-N 2 0 288.435 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCC2)C[C@H]1C ZINC000659983667 414640236 /nfs/dbraw/zinc/64/02/36/414640236.db2.gz SBLPFNPWKVGANM-PVAVHDDUSA-N 2 0 282.472 2.996 20 0 CFADRP CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656700133 414641681 /nfs/dbraw/zinc/64/16/81/414641681.db2.gz ZBGASUWWAQXTNH-HZPDHXFCSA-N 2 0 270.461 2.588 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCC2)C[C@H]1C ZINC000659983810 414642059 /nfs/dbraw/zinc/64/20/59/414642059.db2.gz WEKNNXLJGKRPAQ-KBMXLJTQSA-N 2 0 268.445 2.606 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660114581 414663150 /nfs/dbraw/zinc/66/31/50/414663150.db2.gz IXAGWRBSOSJMHP-XLKGFZLASA-N 2 0 274.452 2.981 20 0 CFADRP CN(CC[N@H+](C)CCCC1CCC1)C1CC[NH+](C)CC1 ZINC000660139606 414669538 /nfs/dbraw/zinc/66/95/38/414669538.db2.gz WIDLMHUHTGHNAB-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP Cn1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000660121043 414666501 /nfs/dbraw/zinc/66/65/01/414666501.db2.gz JRHFIHLSTDNPRJ-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000040601633 174351508 /nfs/dbraw/zinc/35/15/08/174351508.db2.gz GRUZQPOMGVWXET-AWEZNQCLSA-N 2 0 264.438 2.710 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000040620789 174355018 /nfs/dbraw/zinc/35/50/18/174355018.db2.gz SEMYKKBTQONYKP-AWEZNQCLSA-N 2 0 250.361 2.646 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746909 174392051 /nfs/dbraw/zinc/39/20/51/174392051.db2.gz PWJQJWYKNPEXPC-YIONKMFJSA-N 2 0 294.826 2.934 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC3(CCC[NH+]3C)CC2)C1 ZINC000660167060 414674412 /nfs/dbraw/zinc/67/44/12/414674412.db2.gz LNUWEWOJYKWKHH-CALCHBBNSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000663343782 414676138 /nfs/dbraw/zinc/67/61/38/414676138.db2.gz FFAVCYODJYWEJK-XOUADPBQSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000663343779 414676311 /nfs/dbraw/zinc/67/63/11/414676311.db2.gz FFAVCYODJYWEJK-CLWVCHIJSA-N 2 0 250.430 2.743 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCC2)C1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343799 414677102 /nfs/dbraw/zinc/67/71/02/414677102.db2.gz FLEYMHMGAUYSSD-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346220 414678333 /nfs/dbraw/zinc/67/83/33/414678333.db2.gz QYEXAFRMZDCSEZ-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516064 175189872 /nfs/dbraw/zinc/18/98/72/175189872.db2.gz IAGNKZVZGVVYNK-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000044518551 175190825 /nfs/dbraw/zinc/19/08/25/175190825.db2.gz KWASWSLLIUQLTO-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccccc2OC)CC1 ZINC000044517798 175190960 /nfs/dbraw/zinc/19/09/60/175190960.db2.gz VBUDUUXXBWOXAO-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000044534720 175196789 /nfs/dbraw/zinc/19/67/89/175196789.db2.gz VHZRBLDGOYLJTP-ZIAGYGMSSA-N 2 0 292.423 2.696 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534678 175197592 /nfs/dbraw/zinc/19/75/92/175197592.db2.gz LQLVIKVXJAOXRC-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044535042 175198295 /nfs/dbraw/zinc/19/82/95/175198295.db2.gz RXKWHSQZBGKRCK-HUUCEWRRSA-N 2 0 276.424 2.996 20 0 CFADRP c1ccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000044725719 175238023 /nfs/dbraw/zinc/23/80/23/175238023.db2.gz MUMFBXISUMFZSL-LBPRGKRZSA-N 2 0 253.349 2.883 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346661483 287306973 /nfs/dbraw/zinc/30/69/73/287306973.db2.gz BDLYJKUPYQLRHQ-CABCVRRESA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000353506828 287311232 /nfs/dbraw/zinc/31/12/32/287311232.db2.gz ADXICWGTQXXCNV-QGPMSJSTSA-N 2 0 294.483 2.638 20 0 CFADRP CC[NH+](CC)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938447 176013374 /nfs/dbraw/zinc/01/33/74/176013374.db2.gz YFTIONZRMPHVAE-UHFFFAOYSA-N 2 0 259.397 2.989 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423338747 533680630 /nfs/dbraw/zinc/68/06/30/533680630.db2.gz IMVYWIQBQGSCBU-ZDUSSCGKSA-N 2 0 262.372 2.656 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247116464 287345106 /nfs/dbraw/zinc/34/51/06/287345106.db2.gz QWFUFPQGAVRFJT-PMPSAXMXSA-N 2 0 281.488 2.569 20 0 CFADRP OCCCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000192932693 227395746 /nfs/dbraw/zinc/39/57/46/227395746.db2.gz AAGXKIKJUOPGST-UHFFFAOYSA-N 2 0 268.445 2.536 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221909934 270255139 /nfs/dbraw/zinc/25/51/39/270255139.db2.gz PESSKKKOMBNQAK-OAHLLOKOSA-N 2 0 278.440 2.946 20 0 CFADRP Cc1ccc(CNC2CC[NH+](C(C)(C)C)CC2)o1 ZINC000037786340 260163806 /nfs/dbraw/zinc/16/38/06/260163806.db2.gz WDQWSLXEQRIVOW-UHFFFAOYSA-N 2 0 250.386 2.941 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000312704605 260193047 /nfs/dbraw/zinc/19/30/47/260193047.db2.gz DUXRHCGGTDKKBM-TWMKSMIVSA-N 2 0 282.472 2.686 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000393835127 262238307 /nfs/dbraw/zinc/23/83/07/262238307.db2.gz MXNXHENBXVBFHA-DGAVXFQQSA-N 2 0 268.470 2.781 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000390911881 262362656 /nfs/dbraw/zinc/36/26/56/262362656.db2.gz PMANRZXSUWYSAH-XQQFMLRXSA-N 2 0 260.372 2.919 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccccc2n1 ZINC000319947275 262379381 /nfs/dbraw/zinc/37/93/81/262379381.db2.gz BZNGGLHNUYRONH-IYBDPMFKSA-N 2 0 295.430 2.975 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000391116547 262382020 /nfs/dbraw/zinc/38/20/20/262382020.db2.gz JEUGGAGSNIEMAT-KBPBESRZSA-N 2 0 273.405 2.728 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000360858391 274411778 /nfs/dbraw/zinc/41/17/78/274411778.db2.gz LESYHIXJUCPBTL-MLGOLLRUSA-N 2 0 264.388 2.990 20 0 CFADRP Fc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ncccc12 ZINC000320795634 265036446 /nfs/dbraw/zinc/03/64/46/265036446.db2.gz ZKIMRBGSGZUHSL-OKILXGFUSA-N 2 0 299.393 2.805 20 0 CFADRP CC[C@H]1[C@H](C)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192803916 270234478 /nfs/dbraw/zinc/23/44/78/270234478.db2.gz AVNYWYWYNUAWRK-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000192837648 270234662 /nfs/dbraw/zinc/23/46/62/270234662.db2.gz LFQAKKJNYAKNQW-MSOLQXFVSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194026930 270241820 /nfs/dbraw/zinc/24/18/20/270241820.db2.gz AXKXUEXYNNWJSF-IXDOHACOSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCSC1 ZINC000061571077 278331929 /nfs/dbraw/zinc/33/19/29/278331929.db2.gz PZPUSAPPDXYPLQ-UONOGXRCSA-N 2 0 256.459 2.736 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000230766121 270260266 /nfs/dbraw/zinc/26/02/66/270260266.db2.gz GGCUKHITTNFPIO-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000258950495 270274326 /nfs/dbraw/zinc/27/43/26/270274326.db2.gz KLMCGBPIKZHZOV-HZPDHXFCSA-N 2 0 260.425 2.996 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C ZINC000290600911 270283781 /nfs/dbraw/zinc/28/37/81/270283781.db2.gz VWJWSSZUHVZRBV-IRXDYDNUSA-N 2 0 288.435 2.920 20 0 CFADRP C[C@H]([NH2+]CCCN1CCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000395231865 270312375 /nfs/dbraw/zinc/31/23/75/270312375.db2.gz WASZXXUJUMAYJG-DOTOQJQBSA-N 2 0 287.451 2.559 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000397225150 270316421 /nfs/dbraw/zinc/31/64/21/270316421.db2.gz AZIJWRLKENRSJB-OAGGEKHMSA-N 2 0 276.424 2.761 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000397250185 270316587 /nfs/dbraw/zinc/31/65/87/270316587.db2.gz CFLNFEAILLQPDM-GUTXKFCHSA-N 2 0 292.423 2.509 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(OC)c1 ZINC000397321248 270317122 /nfs/dbraw/zinc/31/71/22/270317122.db2.gz NCONJJFRCKTTIZ-YDHLFZDLSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000397286262 270317328 /nfs/dbraw/zinc/31/73/28/270317328.db2.gz UTJHVKNTBULNOU-SOLBZPMBSA-N 2 0 290.451 2.899 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000397286258 270317588 /nfs/dbraw/zinc/31/75/88/270317588.db2.gz UTJHVKNTBULNOU-RYRKJORJSA-N 2 0 290.451 2.899 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1C ZINC000397426414 270318018 /nfs/dbraw/zinc/31/80/18/270318018.db2.gz XUOZHAFVWMGNLA-XPKDYRNWSA-N 2 0 276.424 2.809 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000397471904 270318830 /nfs/dbraw/zinc/31/88/30/270318830.db2.gz XDTVGTBENBBFFF-INMHGKMJSA-N 2 0 298.434 2.678 20 0 CFADRP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422930851 270332479 /nfs/dbraw/zinc/33/24/79/270332479.db2.gz WGCYZLRKXWTUPH-JKSUJKDBSA-N 2 0 276.424 2.832 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424377047 270333368 /nfs/dbraw/zinc/33/33/68/270333368.db2.gz MANJVQWYBCQYPO-BQJWPVKWSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000515346011 270368120 /nfs/dbraw/zinc/36/81/20/270368120.db2.gz HRGAXSYMYFEBJC-ZIAGYGMSSA-N 2 0 264.413 2.937 20 0 CFADRP C[C@H](C[NH2+]CC1(O)CCC(C)CC1)C[NH+]1CCCCC1 ZINC000516048212 270377063 /nfs/dbraw/zinc/37/70/63/270377063.db2.gz FZYDPARLYIISOO-AQFXKWCLSA-N 2 0 282.472 2.639 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000516045975 270377137 /nfs/dbraw/zinc/37/71/37/270377137.db2.gz BDYPGFKKWHZQIV-WWGRRREGSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000516562153 270384009 /nfs/dbraw/zinc/38/40/09/270384009.db2.gz YSPNSLAGEOCGHY-CABCVRRESA-N 2 0 268.351 2.757 20 0 CFADRP CC(C)c1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000516894861 270390357 /nfs/dbraw/zinc/39/03/57/270390357.db2.gz VYNRXRWKNSYOFX-UHFFFAOYSA-N 2 0 291.483 2.735 20 0 CFADRP CC(C)[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000517144314 270398024 /nfs/dbraw/zinc/39/80/24/270398024.db2.gz AXFGUEWVCKGGSZ-KSZLIROESA-N 2 0 272.436 2.968 20 0 CFADRP c1cc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)cs1 ZINC000519810434 270416771 /nfs/dbraw/zinc/41/67/71/270416771.db2.gz DQTGPEBUDWLJDO-LBPRGKRZSA-N 2 0 290.436 2.618 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423366007 274140756 /nfs/dbraw/zinc/14/07/56/274140756.db2.gz LCRVOVKCRWMKKL-MJVIPROJSA-N 2 0 278.371 2.681 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccccc1C(F)(F)F ZINC000422737889 274208252 /nfs/dbraw/zinc/20/82/52/274208252.db2.gz HUFRPZJMVAPHBG-NSHDSACASA-N 2 0 274.330 2.965 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000235075558 274208730 /nfs/dbraw/zinc/20/87/30/274208730.db2.gz VFFYSXVORPXRQL-LRDDRELGSA-N 2 0 262.397 2.699 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422892209 274236640 /nfs/dbraw/zinc/23/66/40/274236640.db2.gz XUJCKXWNQYRTHH-OLZOCXBDSA-N 2 0 259.397 2.816 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423082752 274250905 /nfs/dbraw/zinc/25/09/05/274250905.db2.gz XIBBTRJAELBQLQ-VDHUWJSZSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422739899 274296706 /nfs/dbraw/zinc/29/67/06/274296706.db2.gz AQHQQEKZQZVGFM-HSFUPAIVSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414696467 274385200 /nfs/dbraw/zinc/38/52/00/274385200.db2.gz HRGFDTDRPHFOQF-VKJFTORMSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423360292 274412062 /nfs/dbraw/zinc/41/20/62/274412062.db2.gz LFDCYCJPDKVVDA-DJSGYFEHSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423013329 274475357 /nfs/dbraw/zinc/47/53/57/274475357.db2.gz MOYFLAWNVMSPRK-WQVCFCJDSA-N 2 0 295.858 2.802 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1nccc2ccccc21 ZINC000423352149 274511516 /nfs/dbraw/zinc/51/15/16/274511516.db2.gz JWHBQHRSUUOBLO-ZDUSSCGKSA-N 2 0 267.376 2.805 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)CC3 ZINC000335562257 274766381 /nfs/dbraw/zinc/76/63/81/274766381.db2.gz ATPSSLSKQQCOMW-JSGCOSHPSA-N 2 0 283.419 2.531 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H](C)C2 ZINC000423246092 274777496 /nfs/dbraw/zinc/77/74/96/274777496.db2.gz JWHBKTXIXWNUCL-GRDNDAEWSA-N 2 0 258.409 2.818 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000423492232 274949990 /nfs/dbraw/zinc/94/99/90/274949990.db2.gz MGLCFLYWQNZESY-UXIGCNINSA-N 2 0 278.371 2.756 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423134543 275049581 /nfs/dbraw/zinc/04/95/81/275049581.db2.gz MLTWONSESWKOMW-WNRNVDISSA-N 2 0 294.483 2.686 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423267790 275061469 /nfs/dbraw/zinc/06/14/69/275061469.db2.gz FGHNQRZVFPYJFI-BBRMVZONSA-N 2 0 274.408 2.749 20 0 CFADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000414786112 275067330 /nfs/dbraw/zinc/06/73/30/275067330.db2.gz WUGOWHXNNSJQGN-NVXWUHKLSA-N 2 0 258.409 2.739 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000367037920 275071169 /nfs/dbraw/zinc/07/11/69/275071169.db2.gz WBRJGQUPXMNTLB-RBSFLKMASA-N 2 0 295.430 2.852 20 0 CFADRP C(C[NH+]1CC[C@@H]2CCC[C@H]21)OCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426475674 275392939 /nfs/dbraw/zinc/39/29/39/275392939.db2.gz YYUVHLFJJFXJMH-FZDBZEDMSA-N 2 0 292.467 2.752 20 0 CFADRP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000376415323 275394701 /nfs/dbraw/zinc/39/47/01/275394701.db2.gz OSAPJNZENLBYRA-HPUBIQBYSA-N 2 0 278.440 2.552 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360986202 275395920 /nfs/dbraw/zinc/39/59/20/275395920.db2.gz KEDYDMPKTMYCKC-NXOAAHMSSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000422996588 275688499 /nfs/dbraw/zinc/68/84/99/275688499.db2.gz TWVGJGXEJIAQBJ-JJTUDDRGSA-N 2 0 280.456 2.700 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414836574 275725276 /nfs/dbraw/zinc/72/52/76/275725276.db2.gz JQDIKVZGRLUSPM-IMJJTQAJSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC[NH2+]CC1 ZINC000423346281 275896306 /nfs/dbraw/zinc/89/63/06/275896306.db2.gz ZRKBWRAISYTBED-HRCADAONSA-N 2 0 280.456 2.561 20 0 CFADRP CC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000335023251 275896873 /nfs/dbraw/zinc/89/68/73/275896873.db2.gz JGKKOWUMKGBOBK-OAHLLOKOSA-N 2 0 262.372 2.792 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000336842346 275941471 /nfs/dbraw/zinc/94/14/71/275941471.db2.gz UKYCJTGNDCGOIY-QWHCGFSZSA-N 2 0 294.361 2.559 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000422713966 275982919 /nfs/dbraw/zinc/98/29/19/275982919.db2.gz QJAMUWOGXJRUEU-KFWWJZLASA-N 2 0 256.434 2.689 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449057001 275997099 /nfs/dbraw/zinc/99/70/99/275997099.db2.gz AAWCVYHFJIMUKP-RBSFLKMASA-N 2 0 256.434 2.654 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439578 276029402 /nfs/dbraw/zinc/02/94/02/276029402.db2.gz OAUOXYWONYAWDO-FXUDXRNXSA-N 2 0 250.430 2.933 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000450401827 276045824 /nfs/dbraw/zinc/04/58/24/276045824.db2.gz JPANLYOKJHDWBR-ULQDDVLXSA-N 2 0 282.472 2.734 20 0 CFADRP CC[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000422961889 287865255 /nfs/dbraw/zinc/86/52/55/287865255.db2.gz DCXIPPARZIDDNX-XOKHGSTOSA-N 2 0 273.424 2.595 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(C)CC1 ZINC000020129469 276110915 /nfs/dbraw/zinc/11/09/15/276110915.db2.gz BJDVQZCJNKRFOH-UHFFFAOYSA-N 2 0 289.467 2.712 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000184659480 276114518 /nfs/dbraw/zinc/11/45/18/276114518.db2.gz RRYLPUUQOWXUJO-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CC1(C)CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000364853712 276115066 /nfs/dbraw/zinc/11/50/66/276115066.db2.gz GFQDCJOUPBKURG-LSDHHAIUSA-N 2 0 250.430 2.983 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000421374824 276151114 /nfs/dbraw/zinc/15/11/14/276151114.db2.gz HMARORWHEVGAER-ZDUSSCGKSA-N 2 0 268.470 2.594 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000369239336 276196454 /nfs/dbraw/zinc/19/64/54/276196454.db2.gz KFDJULNAAAJVEH-UHFFFAOYSA-N 2 0 294.483 2.857 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133996782 276197084 /nfs/dbraw/zinc/19/70/84/276197084.db2.gz NTJHFDBVADMYQU-SQNIBIBYSA-N 2 0 293.499 2.594 20 0 CFADRP CCC1(C[NH2+][C@H](CCC[NH3+])COC)CCCCC1 ZINC000423057500 276219375 /nfs/dbraw/zinc/21/93/75/276219375.db2.gz ZZIUZLMLCFYLFB-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(N)ccc32)[C@H](C)C1 ZINC000414925142 276231480 /nfs/dbraw/zinc/23/14/80/276231480.db2.gz JIQRKJZKICZAJW-BVGQSLNGSA-N 2 0 287.451 2.966 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000347000647 276238626 /nfs/dbraw/zinc/23/86/26/276238626.db2.gz GQJVEBMQBMFXGU-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000414219331 276258042 /nfs/dbraw/zinc/25/80/42/276258042.db2.gz AWJTYXGMRQRTGM-CZUORRHYSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+](CC)CCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000119644315 276326163 /nfs/dbraw/zinc/32/61/63/276326163.db2.gz UJZVGAHCSWPLHQ-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422697596 276334868 /nfs/dbraw/zinc/33/48/68/276334868.db2.gz VGOZCSSQCQKZCW-ROUUACIJSA-N 3 0 289.467 2.745 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000119932247 276335423 /nfs/dbraw/zinc/33/54/23/276335423.db2.gz WZVUTJBRQPCOFW-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000449218414 276384567 /nfs/dbraw/zinc/38/45/67/276384567.db2.gz IAVBZPDVMCSZFF-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422819703 276398543 /nfs/dbraw/zinc/39/85/43/276398543.db2.gz NPIJVPRYPIGNDE-FQUUOJAGSA-N 2 0 256.459 2.781 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000353944027 276464267 /nfs/dbraw/zinc/46/42/67/276464267.db2.gz JCQZBILABYASND-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423566286 276629874 /nfs/dbraw/zinc/62/98/74/276629874.db2.gz TYRHTNWTGHBRRJ-QGZVFWFLSA-N 2 0 258.409 2.907 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000154915009 276672185 /nfs/dbraw/zinc/67/21/85/276672185.db2.gz AWWOGBHEOAYJJV-HOTGVXAUSA-N 2 0 289.467 2.536 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423390354 276692450 /nfs/dbraw/zinc/69/24/50/276692450.db2.gz KBQRTPFUFLIXDA-IJLUTSLNSA-N 2 0 279.453 2.671 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423278167 276812659 /nfs/dbraw/zinc/81/26/59/276812659.db2.gz QQZWGBIHDDHQRX-XJKSGUPXSA-N 2 0 250.430 2.935 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000335908853 277026568 /nfs/dbraw/zinc/02/65/68/277026568.db2.gz HUDQWPFBRIUOOW-OAHLLOKOSA-N 2 0 280.362 2.884 20 0 CFADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCCF)c1ccccc1O2 ZINC000361047908 277036142 /nfs/dbraw/zinc/03/61/42/277036142.db2.gz GPJIDDNFLTWZFM-HNNXBMFYSA-N 2 0 292.398 2.924 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)CC[C@@H]21 ZINC000368495277 277069360 /nfs/dbraw/zinc/06/93/60/277069360.db2.gz TUYQLNFAJCSPCB-ILXRZTDVSA-N 2 0 250.430 2.981 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000376842400 277077516 /nfs/dbraw/zinc/07/75/16/277077516.db2.gz MLPBCHAOMHCFTQ-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000272743160 277082511 /nfs/dbraw/zinc/08/25/11/277082511.db2.gz LJXIPTASFSJBBN-CYBMUJFWSA-N 2 0 287.407 2.558 20 0 CFADRP CC(C)(C)C1CCC(C[NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415036317 277133750 /nfs/dbraw/zinc/13/37/50/277133750.db2.gz JQVQVJZVNAFGAH-UYSNPLJNSA-N 2 0 282.472 2.807 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000354150725 277151522 /nfs/dbraw/zinc/15/15/22/277151522.db2.gz STLCXZLRUYUALM-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@H]2CCC[C@H]21 ZINC000353694986 277170774 /nfs/dbraw/zinc/17/07/74/277170774.db2.gz ZZYQOQLMYOIERE-VVLHAWIVSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)[C@H]2CCC[C@H]21 ZINC000353385082 277170962 /nfs/dbraw/zinc/17/09/62/277170962.db2.gz JOXDTCQBNJBFSM-IXDOHACOSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@H]2CCC[C@@H]21 ZINC000348211692 277171559 /nfs/dbraw/zinc/17/15/59/277171559.db2.gz FQWQPYWGBPFTAR-XGUBFFRZSA-N 2 0 268.470 2.592 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000305917334 277177755 /nfs/dbraw/zinc/17/77/55/277177755.db2.gz BCAFHFBLDBXFDM-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340476992 277178234 /nfs/dbraw/zinc/17/82/34/277178234.db2.gz VWWFMPSKMNFEQJ-ZNMIVQPWSA-N 2 0 270.461 2.758 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000340444406 277198608 /nfs/dbraw/zinc/19/86/08/277198608.db2.gz LXHVDIYXUFJGHS-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000486926842 277206856 /nfs/dbraw/zinc/20/68/56/277206856.db2.gz PLEOFFAQBMKVBE-UKRRQHHQSA-N 2 0 268.445 2.512 20 0 CFADRP COCCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420313199 277207014 /nfs/dbraw/zinc/20/70/14/277207014.db2.gz PIMPEDMWRUZVMH-ZWKOTPCHSA-N 2 0 290.451 2.695 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422797367 277259839 /nfs/dbraw/zinc/25/98/39/277259839.db2.gz MFMRDXBBPYRHMA-QXSJWSMHSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488470226 277261962 /nfs/dbraw/zinc/26/19/62/277261962.db2.gz UUTOSGDJQDRJDB-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000423198458 277268686 /nfs/dbraw/zinc/26/86/86/277268686.db2.gz FYTZEEQETQAVEA-CYBMUJFWSA-N 2 0 283.213 2.636 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000378551826 277315447 /nfs/dbraw/zinc/31/54/47/277315447.db2.gz PFPMYQBHXQJLNS-SOUVJXGZSA-N 2 0 280.456 2.512 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353387331 277332154 /nfs/dbraw/zinc/33/21/54/277332154.db2.gz OMBHELPXDXYODZ-ZJPYXAASSA-N 2 0 288.435 2.837 20 0 CFADRP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000295990854 277333076 /nfs/dbraw/zinc/33/30/76/277333076.db2.gz LWKZTPBIYRUEFV-QZTJIDSGSA-N 2 0 290.451 2.660 20 0 CFADRP CC(C)C1CC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000488416558 277339685 /nfs/dbraw/zinc/33/96/85/277339685.db2.gz KOPGWPYKUWSPEH-JUVOFCAFSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415117603 277351058 /nfs/dbraw/zinc/35/10/58/277351058.db2.gz ZSWPDILMRGMJDG-CVEARBPZSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccoc1 ZINC000353530894 277365184 /nfs/dbraw/zinc/36/51/84/277365184.db2.gz NHQPZCYCILLNIB-INIZCTEOSA-N 2 0 294.439 2.803 20 0 CFADRP CC(C)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435388977 277381405 /nfs/dbraw/zinc/38/14/05/277381405.db2.gz IPFIQXPQOAFLFE-INIZCTEOSA-N 2 0 261.413 2.682 20 0 CFADRP CC(C)C[NH+]1CCC(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000221944147 277386007 /nfs/dbraw/zinc/38/60/07/277386007.db2.gz MZSJBSGJNXXFNQ-UHFFFAOYSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422815247 277386301 /nfs/dbraw/zinc/38/63/01/277386301.db2.gz BBCQLHNTBXUDJV-RCCFBDPRSA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000495080642 277396873 /nfs/dbraw/zinc/39/68/73/277396873.db2.gz DIHBVUCPBPHYMQ-QKPAOTATSA-N 2 0 252.446 2.989 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000449213293 277396895 /nfs/dbraw/zinc/39/68/95/277396895.db2.gz VDPDLHNBEXYKGX-RBSFLKMASA-N 2 0 270.486 2.696 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337290234 277397154 /nfs/dbraw/zinc/39/71/54/277397154.db2.gz LYJBTCAQPXEAMW-HZPDHXFCSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccs1 ZINC000269071800 277444369 /nfs/dbraw/zinc/44/43/69/277444369.db2.gz XFLXAVPYOSTAGG-CQSZACIVSA-N 2 0 296.480 2.882 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423505492 277508994 /nfs/dbraw/zinc/50/89/94/277508994.db2.gz LRWDMUPOMFIKNT-GNRIBBGQSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423144704 277562405 /nfs/dbraw/zinc/56/24/05/277562405.db2.gz HSBKBAMTWMEIKI-NWDGAFQWSA-N 2 0 250.411 2.593 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194088939 277585218 /nfs/dbraw/zinc/58/52/18/277585218.db2.gz GFYAYQSNRQIJEW-BRWVUGGUSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@@H]([NH2+]CCCCCc1ccc(F)cc1)C1C[NH2+]C1 ZINC000423059176 277618391 /nfs/dbraw/zinc/61/83/91/277618391.db2.gz FBMDLNUYWZWMGW-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000449579919 277685991 /nfs/dbraw/zinc/68/59/91/277685991.db2.gz LAKOOIFIMVDXBL-NVXWUHKLSA-N 2 0 294.483 2.782 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423456056 277983199 /nfs/dbraw/zinc/98/31/99/277983199.db2.gz NMZDRIHMPOUSHK-LRDDRELGSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000336313433 278024645 /nfs/dbraw/zinc/02/46/45/278024645.db2.gz JLOSPDQRVABAHO-GDBMZVCRSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000127083612 278025836 /nfs/dbraw/zinc/02/58/36/278025836.db2.gz OEJCKATZGLPVBA-ZJIFWQFVSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423242506 278050068 /nfs/dbraw/zinc/05/00/68/278050068.db2.gz MBTQWCPRAXEQGV-ZACQAIPSSA-N 2 0 275.440 2.527 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423221683 278091255 /nfs/dbraw/zinc/09/12/55/278091255.db2.gz XQJLHSMKTWGTMI-SRVKXCTJSA-N 2 0 297.830 2.782 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143643 278161706 /nfs/dbraw/zinc/16/17/06/278161706.db2.gz DODUHWSNUNUWDE-CZUORRHYSA-N 2 0 296.361 2.877 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000272741916 278204662 /nfs/dbraw/zinc/20/46/62/278204662.db2.gz LCZJBYMYYIQSCJ-ZDUSSCGKSA-N 2 0 277.412 2.637 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCC[C@@H](C)C1 ZINC000353458361 278209712 /nfs/dbraw/zinc/20/97/12/278209712.db2.gz CDJAKHAMHCIPNB-UYTYNIKBSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000422830578 278216354 /nfs/dbraw/zinc/21/63/54/278216354.db2.gz VTFORSUJRMWJOQ-LTIDMASMSA-N 2 0 282.472 2.828 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422902240 278217274 /nfs/dbraw/zinc/21/72/74/278217274.db2.gz MJZSZIHCYGFJRG-WCVJEAGWSA-N 2 0 268.445 2.844 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000269053336 278228879 /nfs/dbraw/zinc/22/88/79/278228879.db2.gz WIGLAGKOBJOQOV-GJZGRUSLSA-N 2 0 286.423 2.863 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000437103393 278248864 /nfs/dbraw/zinc/24/88/64/278248864.db2.gz JPEPYAFDAXYTDE-ZMSDIMECSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CCCC[C@H]1C ZINC000449081314 278257507 /nfs/dbraw/zinc/25/75/07/278257507.db2.gz DHMSYOYAMMIXLC-IKGGRYGDSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423250896 278259731 /nfs/dbraw/zinc/25/97/31/278259731.db2.gz REWLDUCKAWZDRV-RYUDHWBXSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423119767 278263402 /nfs/dbraw/zinc/26/34/02/278263402.db2.gz DQELTNFCCVKLCT-FZMZJTMJSA-N 2 0 286.341 2.605 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000305952598 278312812 /nfs/dbraw/zinc/31/28/12/278312812.db2.gz UYFZTUKKVDUOKK-UHFFFAOYSA-N 2 0 256.434 2.643 20 0 CFADRP C[C@H]1CCC[C@H](C)C1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124474595 278350676 /nfs/dbraw/zinc/35/06/76/278350676.db2.gz NBLFXUBEUDXINF-HOTGVXAUSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)C1 ZINC000489932902 278352299 /nfs/dbraw/zinc/35/22/99/278352299.db2.gz IPTKKLZLNIAQIV-XIRDDKMYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422885012 278355004 /nfs/dbraw/zinc/35/50/04/278355004.db2.gz GHALBUYAUXIOSI-FMKPAKJESA-N 2 0 274.408 2.673 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1C ZINC000414071012 288038938 /nfs/dbraw/zinc/03/89/38/288038938.db2.gz CQMDMXDWNUGFQU-UUAJXVIYSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423025874 288044383 /nfs/dbraw/zinc/04/43/83/288044383.db2.gz AEALEZQKYSRYKK-RWMBFGLXSA-N 2 0 258.475 2.884 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247997078 278489747 /nfs/dbraw/zinc/48/97/47/278489747.db2.gz JXVNBJVEBIUVOM-BZUAXINKSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424190672 278523945 /nfs/dbraw/zinc/52/39/45/278523945.db2.gz GCUMCODXJJYEIE-CABCVRRESA-N 2 0 297.487 2.554 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000423042350 278607133 /nfs/dbraw/zinc/60/71/33/278607133.db2.gz KSSXNYHNBUWVCI-FZKCQIBNSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC)cc1 ZINC000261606148 288070369 /nfs/dbraw/zinc/07/03/69/288070369.db2.gz RLPBSAHLHNFOBM-VBNZEHGJSA-N 2 0 262.397 2.734 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422838536 278763502 /nfs/dbraw/zinc/76/35/02/278763502.db2.gz OSDQPMAYSWOFCD-ROUUACIJSA-N 3 0 295.515 2.852 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414704500 278769134 /nfs/dbraw/zinc/76/91/34/278769134.db2.gz MJQKZBIZHJXORO-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000417348961 278945341 /nfs/dbraw/zinc/94/53/41/278945341.db2.gz ZIUBBABIGHBVGI-ULQDDVLXSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1(C(=O)OC)CCC1 ZINC000354086406 288089112 /nfs/dbraw/zinc/08/91/12/288089112.db2.gz PKAKVSDVCSNMFK-KKUMJFAQSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000334296043 288097455 /nfs/dbraw/zinc/09/74/55/288097455.db2.gz XVZATIANFCNSMF-AQEOSJORSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000423191953 279082500 /nfs/dbraw/zinc/08/25/00/279082500.db2.gz UHGLYDHCIKXIQZ-KCPJHIHWSA-N 2 0 265.376 2.780 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000338361445 279094061 /nfs/dbraw/zinc/09/40/61/279094061.db2.gz BVLKYBPPIIETRE-HZPDHXFCSA-N 2 0 270.461 2.855 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778524 279095083 /nfs/dbraw/zinc/09/50/83/279095083.db2.gz IYWFSRLTEWLHDW-JYJNAYRXSA-N 2 0 252.446 2.990 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000336789943 279101524 /nfs/dbraw/zinc/10/15/24/279101524.db2.gz KGBSUKGQHPLCLZ-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000249298741 288104203 /nfs/dbraw/zinc/10/42/03/288104203.db2.gz FIOZEISVPSIBNI-TWMKSMIVSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)C[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450650547 279103474 /nfs/dbraw/zinc/10/34/74/279103474.db2.gz KIHSSIKUCJHXFK-HOTGVXAUSA-N 2 0 281.488 2.521 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423257479 279117324 /nfs/dbraw/zinc/11/73/24/279117324.db2.gz JODOXQSKJLUMTO-STQMWFEESA-N 2 0 279.453 2.808 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000343035521 279137342 /nfs/dbraw/zinc/13/73/42/279137342.db2.gz SSUHAFMENAKGFB-CRAIPNDOSA-N 2 0 289.467 2.568 20 0 CFADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422875179 279206504 /nfs/dbraw/zinc/20/65/04/279206504.db2.gz CDQNMYBQLMIWQP-IXDOHACOSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449447677 279248404 /nfs/dbraw/zinc/24/84/04/279248404.db2.gz AYZOPSFJRVYOQO-CQSZACIVSA-N 2 0 282.472 2.923 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000423430267 279254744 /nfs/dbraw/zinc/25/47/44/279254744.db2.gz KUZJMVOUSGNZQF-TZMCWYRMSA-N 2 0 279.432 2.533 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423353654 279255119 /nfs/dbraw/zinc/25/51/19/279255119.db2.gz BVRDECXTRJWWHW-WBMJQRKESA-N 2 0 261.413 2.753 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000423136404 279255139 /nfs/dbraw/zinc/25/51/39/279255139.db2.gz YXGMIEXMDUDIPC-HFAKWTLXSA-N 2 0 266.360 2.755 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367600413 279256971 /nfs/dbraw/zinc/25/69/71/279256971.db2.gz JJNJGCPGFFNWSL-KZNAEPCWSA-N 3 0 293.499 2.571 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848880 279274574 /nfs/dbraw/zinc/27/45/74/279274574.db2.gz GVCLIJQVYSXFKO-HLLBOEOZSA-N 2 0 260.425 2.985 20 0 CFADRP Cn1cc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C)cn1 ZINC000342559027 279349226 /nfs/dbraw/zinc/34/92/26/279349226.db2.gz FJDUFKWHRLMTTH-OAGGEKHMSA-N 2 0 290.455 2.724 20 0 CFADRP CC(C)[N@@H+](C)CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000226340388 279355445 /nfs/dbraw/zinc/35/54/45/279355445.db2.gz CBQPUMPHKTZWIR-CVEARBPZSA-N 2 0 269.477 2.617 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337389123 279356360 /nfs/dbraw/zinc/35/63/60/279356360.db2.gz MPRAGGRFLQEESO-RCCFBDPRSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1COc2ccccc2C1 ZINC000262216920 279372218 /nfs/dbraw/zinc/37/22/18/279372218.db2.gz MGIADODKVXDAGO-DJIMGWMZSA-N 2 0 288.435 2.891 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH2+]CC1 ZINC000423185254 279384632 /nfs/dbraw/zinc/38/46/32/279384632.db2.gz NFGQZDRLVARQKR-GFCCVEGCSA-N 2 0 258.365 2.705 20 0 CFADRP C[C@H]([NH2+]C1CCc2ccccc2CC1)[C@@H]1CC[NH2+]C1 ZINC000335174888 279458047 /nfs/dbraw/zinc/45/80/47/279458047.db2.gz CMSKDYRUFDZCCY-XJKSGUPXSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)C1CCSCC1 ZINC000423178096 279463153 /nfs/dbraw/zinc/46/31/53/279463153.db2.gz KBCBMCRXRCPTKP-LBPRGKRZSA-N 2 0 256.459 2.769 20 0 CFADRP C[C@@H]1C[NH+](CC(O)C[N@H+]2C[C@@H](C)CC2(C)C)C(C)(C)C1 ZINC000447304419 288148418 /nfs/dbraw/zinc/14/84/18/288148418.db2.gz LMTGNCWAJFOVQZ-KBPBESRZSA-N 2 0 282.472 2.588 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000415024728 279656319 /nfs/dbraw/zinc/65/63/19/279656319.db2.gz ODLBCULRNFTIHG-RRCSTGOVSA-N 2 0 250.430 2.920 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1(C)C ZINC000423054562 279700183 /nfs/dbraw/zinc/70/01/83/279700183.db2.gz UYRPYGMSEYTSNU-ZQDZILKHSA-N 2 0 268.445 2.686 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000361239114 279710825 /nfs/dbraw/zinc/71/08/25/279710825.db2.gz SQXLELXTJXXWQW-RDBSUJKOSA-N 2 0 256.434 2.508 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCCCC2)C[C@H](C)O1 ZINC000174315968 288159253 /nfs/dbraw/zinc/15/92/53/288159253.db2.gz QITDOEBPEOJEDF-GASCZTMLSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000422847015 279852703 /nfs/dbraw/zinc/85/27/03/279852703.db2.gz QSVCTJYAWDDKPP-KZNAEPCWSA-N 2 0 295.515 2.850 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C12CCCC2 ZINC000423541658 279877638 /nfs/dbraw/zinc/87/76/38/279877638.db2.gz LHADQTMAZKOVHU-OVYGPGRDSA-N 2 0 292.467 2.702 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423482221 279905593 /nfs/dbraw/zinc/90/55/93/279905593.db2.gz OVRUMMJKUTWYRF-JKSUJKDBSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000335249403 279947906 /nfs/dbraw/zinc/94/79/06/279947906.db2.gz PRFVVZSKVITRJP-GJZGRUSLSA-N 2 0 288.435 2.960 20 0 CFADRP C[C@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305145402 280161097 /nfs/dbraw/zinc/16/10/97/280161097.db2.gz NHWLCVZRPUOSQI-QZTJIDSGSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000334584815 280173730 /nfs/dbraw/zinc/17/37/30/280173730.db2.gz IYGGIMPNOXUHAX-IRXDYDNUSA-N 2 0 258.409 2.920 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000161788582 280186376 /nfs/dbraw/zinc/18/63/76/280186376.db2.gz HLQOKOJPDLPEOD-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000296579705 280187867 /nfs/dbraw/zinc/18/78/67/280187867.db2.gz VWDUXMDNJHISHB-OAHLLOKOSA-N 2 0 295.496 2.815 20 0 CFADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346980748 280261336 /nfs/dbraw/zinc/26/13/36/280261336.db2.gz MNPGONBHYXMQOZ-ROUUACIJSA-N 2 0 290.451 2.505 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423165000 280261513 /nfs/dbraw/zinc/26/15/13/280261513.db2.gz XOLGANAAPGAAQM-CQJMVSDSSA-N 2 0 268.445 2.545 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401001330 280266211 /nfs/dbraw/zinc/26/62/11/280266211.db2.gz BNYSYTOWLBNTNW-CWVYHPPDSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423413448 280329764 /nfs/dbraw/zinc/32/97/64/280329764.db2.gz KNGVENQXTPQNGT-JJXSEGSLSA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000071120404 280486394 /nfs/dbraw/zinc/48/63/94/280486394.db2.gz LUJWOYYSJIKHEW-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000075645012 280513318 /nfs/dbraw/zinc/51/33/18/280513318.db2.gz DVDCLFVDWYMHAJ-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000088455231 280559604 /nfs/dbraw/zinc/55/96/04/280559604.db2.gz QTTKEFQYCXKFOJ-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000121288847 280621269 /nfs/dbraw/zinc/62/12/69/280621269.db2.gz HQNTYVSDDLOXOB-IKGGRYGDSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1(C)C ZINC000185185436 280833944 /nfs/dbraw/zinc/83/39/44/280833944.db2.gz AEXGMBZZEZOGFF-UONOGXRCSA-N 2 0 270.461 2.756 20 0 CFADRP COc1cccc(Cl)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000228761442 280937159 /nfs/dbraw/zinc/93/71/59/280937159.db2.gz NCGBXEPDOHEUQR-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000234741179 280939999 /nfs/dbraw/zinc/93/99/99/280939999.db2.gz QKPWODYRWMOBKB-GXTWGEPZSA-N 2 0 282.453 2.813 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246921478 281000719 /nfs/dbraw/zinc/00/07/19/281000719.db2.gz GJZCMINTXKZBDU-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cs1 ZINC000246971363 281002123 /nfs/dbraw/zinc/00/21/23/281002123.db2.gz JLUSVTIXKVXDOZ-OCCSQVGLSA-N 2 0 281.469 2.568 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccoc1 ZINC000247171403 281006337 /nfs/dbraw/zinc/00/63/37/281006337.db2.gz YNPXWHKSLZWJNQ-RBSFLKMASA-N 2 0 280.412 2.820 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247153122 281006411 /nfs/dbraw/zinc/00/64/11/281006411.db2.gz SZCKTSOTXXLWSD-ZJPYXAASSA-N 3 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000247170207 281006553 /nfs/dbraw/zinc/00/65/53/281006553.db2.gz SMLSSKXRQSZPLT-KEYYUXOJSA-N 2 0 294.414 2.913 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CCCC3)C2)[C@@H](C)C1 ZINC000247149521 281006593 /nfs/dbraw/zinc/00/65/93/281006593.db2.gz RJMUBHZAJSDCBJ-SZMVWBNQSA-N 2 0 293.499 2.571 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699964 281017094 /nfs/dbraw/zinc/01/70/94/281017094.db2.gz XEJRYLWUIIRLQO-LALPHHSUSA-N 2 0 250.361 2.946 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000248183249 281018528 /nfs/dbraw/zinc/01/85/28/281018528.db2.gz WWEGAYNYAQINFW-QBPKDAKJSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOC(C)C)[C@@H](C)C1 ZINC000248375126 281020869 /nfs/dbraw/zinc/02/08/69/281020869.db2.gz VQSRIJRGHGXMBI-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248453545 281022354 /nfs/dbraw/zinc/02/23/54/281022354.db2.gz QNFXUTZQVQHAQL-CJNGLKHVSA-N 2 0 292.398 2.971 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249405046 281057409 /nfs/dbraw/zinc/05/74/09/281057409.db2.gz WJMPQZIXMCETDV-CHWSQXEVSA-N 2 0 296.377 2.665 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423453018 281070449 /nfs/dbraw/zinc/07/04/49/281070449.db2.gz ZXNJWMIYAPUPIF-ARLBYUKCSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000252859502 281077988 /nfs/dbraw/zinc/07/79/88/281077988.db2.gz MNMHYCRYSUXVBG-ULQDDVLXSA-N 2 0 258.409 2.863 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000252857352 281078032 /nfs/dbraw/zinc/07/80/32/281078032.db2.gz LHDCCMVVJPDIGF-DZKIICNBSA-N 2 0 262.372 2.693 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000252859666 281078089 /nfs/dbraw/zinc/07/80/89/281078089.db2.gz MNMHYCRYSUXVBG-YESZJQIVSA-N 2 0 258.409 2.863 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000259939876 281111632 /nfs/dbraw/zinc/11/16/32/281111632.db2.gz FXASTKZCKNFEAI-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261565598 281112001 /nfs/dbraw/zinc/11/20/01/281112001.db2.gz HTKRSRNVTMDAQH-GJZGRUSLSA-N 2 0 250.361 2.948 20 0 CFADRP CC[N@H+](C)CCNc1cc[nH+]c2cc(OC)c(OC)cc12 ZINC000298346693 281145735 /nfs/dbraw/zinc/14/57/35/281145735.db2.gz SNNAAKRWMSWLQQ-UHFFFAOYSA-N 2 0 289.379 2.616 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000395781882 281196262 /nfs/dbraw/zinc/19/62/62/281196262.db2.gz ZWIXFJIPTOXETL-OAHLLOKOSA-N 2 0 291.439 2.711 20 0 CFADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000396782091 281196969 /nfs/dbraw/zinc/19/69/69/281196969.db2.gz JOZHQYQTVIPASX-IRXDYDNUSA-N 2 0 288.435 2.666 20 0 CFADRP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397054415 281200307 /nfs/dbraw/zinc/20/03/07/281200307.db2.gz GLPLTDGBDNZXLO-CQSZACIVSA-N 2 0 282.815 2.577 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CS1 ZINC000397815902 281202595 /nfs/dbraw/zinc/20/25/95/281202595.db2.gz CINMAOVDIWZSHH-QKGCVVFFSA-N 2 0 268.470 2.781 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1c(F)cccc1Cl ZINC000420372889 281220275 /nfs/dbraw/zinc/22/02/75/281220275.db2.gz YKJKWYYSJNMKGP-CQSZACIVSA-N 2 0 284.806 2.999 20 0 CFADRP CCc1cccc(OCC[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420372518 281220437 /nfs/dbraw/zinc/22/04/37/281220437.db2.gz YAVVWURXLWTTOL-MRXNPFEDSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422930143 281222486 /nfs/dbraw/zinc/22/24/86/281222486.db2.gz SIFGVCCCCACUOR-JKSUJKDBSA-N 2 0 262.397 2.623 20 0 CFADRP CN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000423010482 281223058 /nfs/dbraw/zinc/22/30/58/281223058.db2.gz GNINRQLXVWYNGC-KXIUCKCTSA-N 2 0 287.451 2.539 20 0 CFADRP CN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccccc1 ZINC000423010484 281223136 /nfs/dbraw/zinc/22/31/36/281223136.db2.gz GNINRQLXVWYNGC-XAWIXRBMSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423009803 281223175 /nfs/dbraw/zinc/22/31/75/281223175.db2.gz DYOKHMYKRVVCLN-KZNAEPCWSA-N 2 0 287.451 2.833 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423009776 281223209 /nfs/dbraw/zinc/22/32/09/281223209.db2.gz DVLDOWYSPHOSNU-GJZGRUSLSA-N 2 0 278.440 2.981 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000423776786 281225471 /nfs/dbraw/zinc/22/54/71/281225471.db2.gz BCUIYBFCKILKAZ-UHFFFAOYSA-N 2 0 291.439 2.760 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424371598 281227486 /nfs/dbraw/zinc/22/74/86/281227486.db2.gz DOOQQIPPKLMRNJ-HZPDHXFCSA-N 2 0 294.483 2.903 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(CC)CC ZINC000424375754 281227588 /nfs/dbraw/zinc/22/75/88/281227588.db2.gz NVNLIPNATRVTFS-KBXIAJHMSA-N 2 0 268.445 2.830 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459372501 281258118 /nfs/dbraw/zinc/25/81/18/281258118.db2.gz LEFRJSXXGSDZNW-UHFFFAOYSA-N 2 0 298.862 2.590 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOCC3CCCC3)C2)C1 ZINC000459482526 281266549 /nfs/dbraw/zinc/26/65/49/281266549.db2.gz CQKZPYMWGWFVGB-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000126199272 281272458 /nfs/dbraw/zinc/27/24/58/281272458.db2.gz MYNOPJHAYMVTKE-QGZVFWFLSA-N 2 0 258.409 2.914 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H](C)[C@H]1OC ZINC000516450476 281303852 /nfs/dbraw/zinc/30/38/52/281303852.db2.gz UZKFOTFHGGZKPH-OXGONZEZSA-N 2 0 282.472 2.804 20 0 CFADRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H](C)O ZINC000517557028 281307215 /nfs/dbraw/zinc/30/72/15/281307215.db2.gz VCEZWLBIYYJMAL-OCABDXPQSA-N 2 0 290.451 2.502 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnoc2C)CC1 ZINC000527325034 281329075 /nfs/dbraw/zinc/32/90/75/281329075.db2.gz CLIMFGPDJKGYDS-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527642837 281336328 /nfs/dbraw/zinc/33/63/28/281336328.db2.gz WDZURSFBYSUHBQ-ZLIFDBKOSA-N 2 0 262.441 2.885 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529539902 281403840 /nfs/dbraw/zinc/40/38/40/281403840.db2.gz BRLQDJNAMLMXTG-NSHDSACASA-N 2 0 260.372 2.884 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529539713 281404013 /nfs/dbraw/zinc/40/40/13/281404013.db2.gz XAFJAKWRKZOKKW-NSHDSACASA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423408692 288324940 /nfs/dbraw/zinc/32/49/40/288324940.db2.gz XVJCMCWXRFUMRY-RKHAHWSXSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000541742313 281610118 /nfs/dbraw/zinc/61/01/18/281610118.db2.gz UAOGOBXEDGTVDZ-NFOMZHRRSA-N 2 0 298.471 2.817 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000548858952 281804937 /nfs/dbraw/zinc/80/49/37/281804937.db2.gz CABUJKWJTFAHDS-JQHSSLGASA-N 2 0 288.435 2.905 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000549526900 281816958 /nfs/dbraw/zinc/81/69/58/281816958.db2.gz YNEYZYJGEMSHKY-FUHWJXTLSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](CC3(C)CC3)CC2)C[C@H](C)O1 ZINC000555595347 281918106 /nfs/dbraw/zinc/91/81/06/281918106.db2.gz VEXUZXTWHCVEIQ-GJZGRUSLSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+](C)CCCOc1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000557833993 281973457 /nfs/dbraw/zinc/97/34/57/281973457.db2.gz NVGAPLRWDFTUFQ-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@H]2C(C)C)CC[NH+](C)CC1 ZINC000558505136 281983780 /nfs/dbraw/zinc/98/37/80/281983780.db2.gz AXHDQMRRDWBHGR-UONOGXRCSA-N 2 0 270.486 2.838 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnccn2)CC1 ZINC000560604729 282036221 /nfs/dbraw/zinc/03/62/21/282036221.db2.gz UGWNHSDOQFOOCN-UHFFFAOYSA-N 2 0 290.455 2.811 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000561112349 282047505 /nfs/dbraw/zinc/04/75/05/282047505.db2.gz WUOMWTVNFDZZKI-UHFFFAOYSA-N 2 0 284.447 2.865 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000421376894 282049240 /nfs/dbraw/zinc/04/92/40/282049240.db2.gz RDEWZWUKBJSLHF-PYNQCMFNSA-N 2 0 294.361 2.559 20 0 CFADRP COCC(C)(C)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562057417 282066153 /nfs/dbraw/zinc/06/61/53/282066153.db2.gz HEXMKOBHKVDDAA-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)ccn1 ZINC000562086613 282066855 /nfs/dbraw/zinc/06/68/55/282066855.db2.gz JMTMAFLDYYAUFD-LRVUVFPRSA-N 2 0 277.412 2.614 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCNc3ccccc32)CC[NH2+]1 ZINC000423370851 288768995 /nfs/dbraw/zinc/76/89/95/288768995.db2.gz DXMSZAKIPRULFR-IOASZLSFSA-N 2 0 259.397 2.664 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000423040741 289094497 /nfs/dbraw/zinc/09/44/97/289094497.db2.gz VAVRSQNPGOKUFP-DLBZAZTESA-N 2 0 287.451 2.843 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361295664 289106776 /nfs/dbraw/zinc/10/67/76/289106776.db2.gz KVGBJARBASTFGK-IAGOWNOFSA-N 2 0 258.409 2.816 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268870187 289111648 /nfs/dbraw/zinc/11/16/48/289111648.db2.gz CYXSCCHPRHEGPE-HNNXBMFYSA-N 2 0 280.387 2.971 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352798608 289376413 /nfs/dbraw/zinc/37/64/13/289376413.db2.gz VESINCOVGDLVCY-JLVJUDLZSA-N 2 0 268.445 2.795 20 0 CFADRP CN(CC(C)(C)C[NH3+])C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424076136 289509815 /nfs/dbraw/zinc/50/98/15/289509815.db2.gz LFFJNICKRCMCQT-HNNXBMFYSA-N 2 0 297.487 2.508 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000229938621 289735299 /nfs/dbraw/zinc/73/52/99/289735299.db2.gz SEGDNFNEZCMGBI-NVXWUHKLSA-N 3 0 281.488 2.619 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCC(C)(C)C)(N2CCCCC2)CC1 ZINC000188044962 289878826 /nfs/dbraw/zinc/87/88/26/289878826.db2.gz PPAHWJWYGHXBOY-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000158596534 289978200 /nfs/dbraw/zinc/97/82/00/289978200.db2.gz GLQSDIOPRGGXHB-JYJNAYRXSA-N 2 0 270.461 2.759 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000305154019 290008350 /nfs/dbraw/zinc/00/83/50/290008350.db2.gz PNDSPXIHCBGZQF-UQVLAFNGSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423206394 290012095 /nfs/dbraw/zinc/01/20/95/290012095.db2.gz BZYPFOASFUINOL-FIDHJVLJSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H](NCc1csc(-c2ccco2)n1)[C@H]1CCC[NH2+]C1 ZINC000562744307 290072869 /nfs/dbraw/zinc/07/28/69/290072869.db2.gz CZXSRFROAQGMAD-RYUDHWBXSA-N 2 0 291.420 2.881 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000562748078 290073343 /nfs/dbraw/zinc/07/33/43/290073343.db2.gz NUZHAVBRTOWOEV-BZSNNMDCSA-N 2 0 287.451 2.587 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)(C)CC ZINC000562779192 290075356 /nfs/dbraw/zinc/07/53/56/290075356.db2.gz SHTSRUOUXDNIFW-KGLIPLIRSA-N 2 0 258.450 2.758 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000562955564 290085191 /nfs/dbraw/zinc/08/51/91/290085191.db2.gz BUJSKAWLVBLLKF-NVXWUHKLSA-N 2 0 273.424 2.697 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000562958671 290085957 /nfs/dbraw/zinc/08/59/57/290085957.db2.gz KJDNTSKFWVVAJE-STQMWFEESA-N 2 0 289.423 2.739 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc(F)cc2F)CC1 ZINC000562959264 290085984 /nfs/dbraw/zinc/08/59/84/290085984.db2.gz OVRJCVBZLVHQMZ-UHFFFAOYSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956171 290086020 /nfs/dbraw/zinc/08/60/20/290086020.db2.gz HTLYSZVDWOFRMU-ZBEGNZNMSA-N 2 0 262.372 2.648 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(OC(F)F)c1 ZINC000562960615 290086592 /nfs/dbraw/zinc/08/65/92/290086592.db2.gz RIEAADOOIUCXHE-UWVGGRQHSA-N 2 0 288.338 2.512 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000563135958 290107590 /nfs/dbraw/zinc/10/75/90/290107590.db2.gz PSOMYSFSVZZWJS-NXEZZACHSA-N 2 0 255.431 2.656 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1F ZINC000563135855 290107642 /nfs/dbraw/zinc/10/76/42/290107642.db2.gz VCIFHYKIMCKKIJ-YNEHKIRRSA-N 2 0 282.403 2.728 20 0 CFADRP c1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)nc1 ZINC000563216311 290119207 /nfs/dbraw/zinc/11/92/07/290119207.db2.gz XESOGXPSXBULAA-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000563452659 290153737 /nfs/dbraw/zinc/15/37/37/290153737.db2.gz VXXMTJYWKRDOOT-GXTWGEPZSA-N 2 0 252.427 2.972 20 0 CFADRP CC(C)[N@@H+](Cc1ccccn1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000563435831 290150948 /nfs/dbraw/zinc/15/09/48/290150948.db2.gz QVWTXUMQFDISSG-CABCVRRESA-N 2 0 261.413 2.680 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccccc43)[C@H]2C1 ZINC000272209596 290160377 /nfs/dbraw/zinc/16/03/77/290160377.db2.gz PZEJLOHLFNVQGN-DYVFJYSZSA-N 2 0 267.376 2.765 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCCCC2 ZINC000563804434 290175422 /nfs/dbraw/zinc/17/54/22/290175422.db2.gz GUTGWWUPKRPDMJ-HOTGVXAUSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCCCC2 ZINC000563804433 290175443 /nfs/dbraw/zinc/17/54/43/290175443.db2.gz GUTGWWUPKRPDMJ-CVEARBPZSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1Cl ZINC000563898688 290182690 /nfs/dbraw/zinc/18/26/90/290182690.db2.gz OLDOBVLKWZBDJX-UPJWGTAASA-N 2 0 282.815 2.967 20 0 CFADRP CCOCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000564002859 290188807 /nfs/dbraw/zinc/18/88/07/290188807.db2.gz AMONBSCISBIBJS-HNNXBMFYSA-N 2 0 296.480 2.847 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000564201157 290196199 /nfs/dbraw/zinc/19/61/99/290196199.db2.gz WUIRGRDYQDZJIY-CQSZACIVSA-N 2 0 292.423 2.714 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000564326940 290203535 /nfs/dbraw/zinc/20/35/35/290203535.db2.gz WUZOZVYPHUIQFE-QZTJIDSGSA-N 2 0 287.451 2.739 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000353625052 290219281 /nfs/dbraw/zinc/21/92/81/290219281.db2.gz VIZIMKXJGGNOCW-SDDRHHMPSA-N 2 0 296.402 2.744 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000564797914 290233189 /nfs/dbraw/zinc/23/31/89/290233189.db2.gz DTNGWRCOIXIVFA-NXEZZACHSA-N 2 0 250.317 2.787 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000564823887 290236410 /nfs/dbraw/zinc/23/64/10/290236410.db2.gz MZCBUHQDYIQOPU-XSLAGTTESA-N 3 0 295.515 2.865 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000564827448 290237917 /nfs/dbraw/zinc/23/79/17/290237917.db2.gz DHDKYMOVMFJFCD-ZDUSSCGKSA-N 2 0 299.418 2.532 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000564916232 290249412 /nfs/dbraw/zinc/24/94/12/290249412.db2.gz VEGDAFWPXWFNSS-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP CCc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000564970700 290253748 /nfs/dbraw/zinc/25/37/48/290253748.db2.gz MUSRREXXXMWJEH-CVEARBPZSA-N 2 0 294.464 2.639 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000564973417 290254103 /nfs/dbraw/zinc/25/41/03/290254103.db2.gz JLVOIBZBYMAMGI-UXLLHSPISA-N 2 0 274.408 2.528 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(F)c2cccnc12 ZINC000564973831 290254278 /nfs/dbraw/zinc/25/42/78/290254278.db2.gz VSVFVYFHMKAFPD-WDEREUQCSA-N 2 0 261.344 2.589 20 0 CFADRP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000565218003 290283460 /nfs/dbraw/zinc/28/34/60/290283460.db2.gz KZHNZQCTCQLIKG-UHFFFAOYSA-N 2 0 298.434 2.578 20 0 CFADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128710588 290336453 /nfs/dbraw/zinc/33/64/53/290336453.db2.gz FICXVDNSJSLWAP-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000565946570 290336434 /nfs/dbraw/zinc/33/64/34/290336434.db2.gz XHHWTDVEARVDEI-JKSUJKDBSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000566089421 290346908 /nfs/dbraw/zinc/34/69/08/290346908.db2.gz RPMVBARWTTYEGD-SWLSCSKDSA-N 2 0 298.377 2.808 20 0 CFADRP c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CC2)nc1 ZINC000566352032 290373913 /nfs/dbraw/zinc/37/39/13/290373913.db2.gz SCJADVZRGDFUQE-UHFFFAOYSA-N 2 0 293.414 2.892 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000566475962 290392037 /nfs/dbraw/zinc/39/20/37/290392037.db2.gz RLDKCMQADJSERF-OBTMHIKCSA-N 2 0 273.424 2.790 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000566481056 290392514 /nfs/dbraw/zinc/39/25/14/290392514.db2.gz FAPCLIADOHOGHM-HUUCEWRRSA-N 2 0 264.388 2.963 20 0 CFADRP Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000566483964 290393747 /nfs/dbraw/zinc/39/37/47/290393747.db2.gz YPKXXJLOBBEXKC-GJZGRUSLSA-N 2 0 261.413 2.738 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423348012 290413003 /nfs/dbraw/zinc/41/30/03/290413003.db2.gz RSDSAQMMKHPLAM-MAUKXSAKSA-N 3 0 291.483 2.539 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566849976 290422113 /nfs/dbraw/zinc/42/21/13/290422113.db2.gz QEHSHIZRWWVSHP-BBRMVZONSA-N 2 0 289.423 2.620 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000567471811 290466089 /nfs/dbraw/zinc/46/60/89/290466089.db2.gz HYOBRDXFIPSEDM-ZDUSSCGKSA-N 2 0 273.424 2.993 20 0 CFADRP CC1(C)C[C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000567639422 290480050 /nfs/dbraw/zinc/48/00/50/290480050.db2.gz OLKVABXQJVLHEN-INIZCTEOSA-N 2 0 258.409 2.998 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc21 ZINC000567639423 290480349 /nfs/dbraw/zinc/48/03/49/290480349.db2.gz OLKVABXQJVLHEN-MRXNPFEDSA-N 2 0 258.409 2.998 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000567639343 290480399 /nfs/dbraw/zinc/48/03/99/290480399.db2.gz JAZZMVRIZXOTQS-NVXWUHKLSA-N 2 0 281.488 2.619 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000568662396 290565486 /nfs/dbraw/zinc/56/54/86/290565486.db2.gz ALARFEWNUIFSSO-HIFRSBDPSA-N 2 0 278.444 2.946 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(Cl)c1 ZINC000414796279 533693389 /nfs/dbraw/zinc/69/33/89/533693389.db2.gz HGSDNVXGZMIOPY-XHDPSFHLSA-N 2 0 282.815 2.956 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000423034106 293095226 /nfs/dbraw/zinc/09/52/26/293095226.db2.gz XHZYCKYNDIINMQ-ZDUSSCGKSA-N 2 0 298.377 2.688 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000234803173 293097057 /nfs/dbraw/zinc/09/70/57/293097057.db2.gz UBTCKPAULNEFSS-HOCLYGCPSA-N 2 0 294.439 2.878 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC000446934357 293160807 /nfs/dbraw/zinc/16/08/07/293160807.db2.gz ADFVSJSBIKZAQZ-PMPSAXMXSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414841690 533693484 /nfs/dbraw/zinc/69/34/84/533693484.db2.gz YMZLIDQDADAVRH-STQMWFEESA-N 2 0 252.427 2.658 20 0 CFADRP CO[C@H](CC(C)C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000419214098 294366982 /nfs/dbraw/zinc/36/69/82/294366982.db2.gz KCLNQCDXEAOZHP-JKSUJKDBSA-N 2 0 270.461 2.854 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCCCC1 ZINC000423174997 295209197 /nfs/dbraw/zinc/20/91/97/295209197.db2.gz CNXXPOWEAKOLGI-RBSFLKMASA-N 2 0 278.440 2.585 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000335242752 295212377 /nfs/dbraw/zinc/21/23/77/295212377.db2.gz VCMLXRRODXUTEO-SSDMNJCBSA-N 2 0 260.381 2.760 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCSC1 ZINC000230008013 295229789 /nfs/dbraw/zinc/22/97/89/295229789.db2.gz VVIHUZLFWMKFFV-HNNXBMFYSA-N 2 0 264.438 2.591 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)c(F)c1 ZINC000045664052 295236602 /nfs/dbraw/zinc/23/66/02/295236602.db2.gz VOCBUWIQUVKVCL-LBPRGKRZSA-N 2 0 268.376 2.827 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422994386 295248789 /nfs/dbraw/zinc/24/87/89/295248789.db2.gz VHRJQHBHRGMHNS-JFMONLCZSA-N 2 0 270.420 2.679 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422770556 295270906 /nfs/dbraw/zinc/27/09/06/295270906.db2.gz QIDAUMCABAIMQF-DOMZBBRYSA-N 2 0 262.372 2.574 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000334864531 295302951 /nfs/dbraw/zinc/30/29/51/295302951.db2.gz QBVAEBGMPBPKGY-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818564 295307464 /nfs/dbraw/zinc/30/74/64/295307464.db2.gz KSQJSXNWWJBAGY-YFKTTZPYSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000423484221 295311626 /nfs/dbraw/zinc/31/16/26/295311626.db2.gz ZZUHRAGGBHWKDR-MZBWOGCUSA-N 2 0 280.456 2.689 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000423467515 295311854 /nfs/dbraw/zinc/31/18/54/295311854.db2.gz JDSFNBBHBDHJOK-DMRKSPOLSA-N 2 0 280.456 2.689 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000332342957 295313714 /nfs/dbraw/zinc/31/37/14/295313714.db2.gz XMIRRZKAVUUFFU-WWGRRREGSA-N 2 0 260.381 2.629 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422839901 295315609 /nfs/dbraw/zinc/31/56/09/295315609.db2.gz AQCXWUWWSRHMEF-HUUCEWRRSA-N 2 0 262.372 2.717 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423098370 295315685 /nfs/dbraw/zinc/31/56/85/295315685.db2.gz KRNQQSLDHRIZDF-HZPDHXFCSA-N 2 0 279.472 2.502 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCSC(F)(F)F)c2ccccc21 ZINC000231939866 295325557 /nfs/dbraw/zinc/32/55/57/295325557.db2.gz DFFATMGBQHAHCF-MNOVXSKESA-N 2 0 276.327 2.974 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000422729795 295357653 /nfs/dbraw/zinc/35/76/53/295357653.db2.gz CKONEZHKPILYJR-CVEARBPZSA-N 2 0 288.435 2.976 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415093612 295399867 /nfs/dbraw/zinc/39/98/67/295399867.db2.gz VWVPSRFOXIUCHW-RDBSUJKOSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000423397773 297109696 /nfs/dbraw/zinc/10/96/96/297109696.db2.gz OMGJKPBBGAOTPU-DAXOMENPSA-N 2 0 258.409 2.997 20 0 CFADRP C[C@@H]1C[C@@H](CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)CC[NH2+]1 ZINC000414867417 297253358 /nfs/dbraw/zinc/25/33/58/297253358.db2.gz INHWNPNWEWRUJQ-RDBSUJKOSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N1CCc2sccc2C1 ZINC000422721321 298390763 /nfs/dbraw/zinc/39/07/63/298390763.db2.gz VAFMHBKNGBEVAS-ZIAGYGMSSA-N 2 0 295.496 2.602 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000414824751 533694773 /nfs/dbraw/zinc/69/47/73/533694773.db2.gz BDJQOXRCSQIRHI-GFCCVEGCSA-N 2 0 252.789 2.738 20 0 CFADRP C[C@]1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCC[NH2+]C1 ZINC000423345978 300805763 /nfs/dbraw/zinc/80/57/63/300805763.db2.gz PIFPBOREOHUGQG-SJORKVTESA-N 2 0 273.424 2.902 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCNc3ccccc32)CCC[NH2+]C1 ZINC000335485217 300806423 /nfs/dbraw/zinc/80/64/23/300806423.db2.gz AVBMRFUNYZBOPT-IRXDYDNUSA-N 2 0 273.424 2.913 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCOc3ccccc32)CCC[NH2+]C1 ZINC000423335314 300806610 /nfs/dbraw/zinc/80/66/10/300806610.db2.gz RNLYUPHSQMOUIF-RDJZCZTQSA-N 2 0 274.408 2.880 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422781071 301221871 /nfs/dbraw/zinc/22/18/71/301221871.db2.gz KFNKUVGGWBTLFM-IAGOWNOFSA-N 2 0 260.425 2.953 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414820142 302101950 /nfs/dbraw/zinc/10/19/50/302101950.db2.gz IUFAKPYAWBNUPB-ZMSDIMECSA-N 2 0 260.425 2.904 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000420319249 302246866 /nfs/dbraw/zinc/24/68/66/302246866.db2.gz OZGMTHQXQDBNOO-LSDHHAIUSA-N 2 0 261.413 2.676 20 0 CFADRP Cc1c[nH+]ccc1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335509316 302387048 /nfs/dbraw/zinc/38/70/48/302387048.db2.gz QQWOEIKTMITSRE-HNNXBMFYSA-N 2 0 259.397 2.558 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000250959635 302579167 /nfs/dbraw/zinc/57/91/67/302579167.db2.gz NZLRUOZKSIPDMT-WCFLWFBJSA-N 2 0 267.442 2.928 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358302466 303126422 /nfs/dbraw/zinc/12/64/22/303126422.db2.gz RAHDVWVLWCZPCB-RWMBFGLXSA-N 2 0 258.356 2.781 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149166 303128746 /nfs/dbraw/zinc/12/87/46/303128746.db2.gz XGZSSUYHCUOVBL-KLZNWCGWSA-N 2 0 290.382 2.723 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000335215978 303362065 /nfs/dbraw/zinc/36/20/65/303362065.db2.gz LAMWYHKVSGXWMD-PIMMBPRGSA-N 2 0 278.371 2.899 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000334867480 303362538 /nfs/dbraw/zinc/36/25/38/303362538.db2.gz XFHMOIWIUJRIKE-INCPQMAJSA-N 2 0 296.361 2.654 20 0 CFADRP [NH3+]CCC[N@H+](CC[C@H]1CCCCO1)CC1CCCC1 ZINC000420321849 303377895 /nfs/dbraw/zinc/37/78/95/303377895.db2.gz VPVZDOPDVRILLJ-MRXNPFEDSA-N 2 0 268.445 2.787 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000415058583 303380158 /nfs/dbraw/zinc/38/01/58/303380158.db2.gz UCWQLACAXFPNSN-LSDHHAIUSA-N 2 0 264.438 2.952 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000415056229 303380267 /nfs/dbraw/zinc/38/02/67/303380267.db2.gz PPCZZAKRPVGXCX-BDVYOWHSSA-N 3 0 275.440 2.574 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cccn2C)C1 ZINC000161665697 322355474 /nfs/dbraw/zinc/35/54/74/322355474.db2.gz GETOVPRWPLNMCV-HOTGVXAUSA-N 2 0 277.456 2.873 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000163873466 322379306 /nfs/dbraw/zinc/37/93/06/322379306.db2.gz NYTBLYWWAMSQKC-YESZJQIVSA-N 2 0 283.504 2.817 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000166201625 322386155 /nfs/dbraw/zinc/38/61/55/322386155.db2.gz CALCPQCVYPZAPW-MSOLQXFVSA-N 2 0 272.436 2.938 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168284383 322389282 /nfs/dbraw/zinc/38/92/82/322389282.db2.gz JBDIUWXJLIIQNN-HNNXBMFYSA-N 2 0 268.445 2.822 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOCC(F)(F)F ZINC000570035607 322510355 /nfs/dbraw/zinc/51/03/55/322510355.db2.gz LUKBQFRJUZGGHN-STQMWFEESA-N 2 0 296.377 2.856 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000570662954 322544472 /nfs/dbraw/zinc/54/44/72/322544472.db2.gz OIELYAMCZILTLP-LSDHHAIUSA-N 2 0 262.397 2.835 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000571298759 322578632 /nfs/dbraw/zinc/57/86/32/322578632.db2.gz YXLUTUSHQJDBQP-OAHLLOKOSA-N 2 0 290.455 2.948 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000571549902 322587346 /nfs/dbraw/zinc/58/73/46/322587346.db2.gz HKTNEEOFDSKQCD-CQSZACIVSA-N 2 0 264.413 2.829 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000571902162 322600180 /nfs/dbraw/zinc/60/01/80/322600180.db2.gz WHTGADJIHCTZGI-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000572147865 322609035 /nfs/dbraw/zinc/60/90/35/322609035.db2.gz UQHOYINRGJRXJT-GJZGRUSLSA-N 2 0 268.351 2.628 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]([NH3+])c1ccccc1 ZINC000572969865 322639335 /nfs/dbraw/zinc/63/93/35/322639335.db2.gz CXJPLYKMBMEZIK-DJIMGWMZSA-N 2 0 275.440 2.587 20 0 CFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000573137183 322645867 /nfs/dbraw/zinc/64/58/67/322645867.db2.gz GIFRFXLDGRCTIZ-NZUILWFCSA-N 2 0 292.423 2.631 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2nccn2C)CC1 ZINC000183086518 323899896 /nfs/dbraw/zinc/89/98/96/323899896.db2.gz MYFKUPLAKUGSER-HNNXBMFYSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191825178 324054656 /nfs/dbraw/zinc/05/46/56/324054656.db2.gz CKXQZTDGTPLZMA-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211948331 324110027 /nfs/dbraw/zinc/11/00/27/324110027.db2.gz JKVGAZDYKWUWGD-UONOGXRCSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000347626845 324141477 /nfs/dbraw/zinc/14/14/77/324141477.db2.gz USLWXCCYWVEMNE-WCVJEAGWSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1ncccc1Cc1noc(CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000351240104 324357796 /nfs/dbraw/zinc/35/77/96/324357796.db2.gz WNEWWNXYRKYIHX-RYUDHWBXSA-N 2 0 286.379 2.737 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000388841261 324511258 /nfs/dbraw/zinc/51/12/58/324511258.db2.gz DJPFCSLNIWENJY-QXSJWSMHSA-N 2 0 268.445 2.702 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000578185254 324823600 /nfs/dbraw/zinc/82/36/00/324823600.db2.gz QMDOVSMHEUBNJW-ZDUSSCGKSA-N 2 0 277.412 2.684 20 0 CFADRP CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000578738617 324883687 /nfs/dbraw/zinc/88/36/87/324883687.db2.gz DUPPBVLKLBOQCA-RRFJBIMHSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)[C@@H]1CCC[NH2+]C1 ZINC000578878047 324898654 /nfs/dbraw/zinc/89/86/54/324898654.db2.gz APYGQKPTYQLVCK-OWCLPIDISA-N 2 0 298.434 2.911 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000580445716 325037125 /nfs/dbraw/zinc/03/71/25/325037125.db2.gz AHXYLAMINRQXTO-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP CC(C)C[C@H](CN)[NH2+]Cc1ccnc2ccccc12 ZINC000580761670 325061500 /nfs/dbraw/zinc/06/15/00/325061500.db2.gz FHPQGICKAVJGAF-CQSZACIVSA-N 2 0 257.381 2.698 20 0 CFADRP COC[C@@H](C)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000580812989 325065753 /nfs/dbraw/zinc/06/57/53/325065753.db2.gz SEEOBBRNBLWLCJ-LBPRGKRZSA-N 2 0 296.377 2.618 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000581166365 325096186 /nfs/dbraw/zinc/09/61/86/325096186.db2.gz YOSJXWMGUNURBV-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000581166367 325096280 /nfs/dbraw/zinc/09/62/80/325096280.db2.gz YOSJXWMGUNURBV-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000581200014 325100217 /nfs/dbraw/zinc/10/02/17/325100217.db2.gz LIDACASHMFKQBM-QLFBSQMISA-N 2 0 262.397 2.622 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccncc2C)C1 ZINC000581247920 325103397 /nfs/dbraw/zinc/10/33/97/325103397.db2.gz FJZNOZNUUFTGEL-INIZCTEOSA-N 2 0 275.440 2.596 20 0 CFADRP CCSc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000581380328 325117078 /nfs/dbraw/zinc/11/70/78/325117078.db2.gz QFOMPZGVLMEQFK-OLZOCXBDSA-N 2 0 265.426 2.553 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNc1c[nH]cn1 ZINC000581758176 325148323 /nfs/dbraw/zinc/14/83/23/325148323.db2.gz UKITYXAZARUFIT-UHFFFAOYSA-N 2 0 272.396 2.980 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000582311271 325194981 /nfs/dbraw/zinc/19/49/81/325194981.db2.gz HZZBGYLKYLEQTG-HOTGVXAUSA-N 2 0 275.440 2.891 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](C)COC ZINC000582387789 325200372 /nfs/dbraw/zinc/20/03/72/325200372.db2.gz MBXINFIHDDMAIJ-HNNXBMFYSA-N 2 0 278.440 2.853 20 0 CFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])CC2 ZINC000582600334 325218048 /nfs/dbraw/zinc/21/80/48/325218048.db2.gz STWUIALPFRMYPW-OAGGEKHMSA-N 2 0 290.455 2.571 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)C1 ZINC000582615672 325220096 /nfs/dbraw/zinc/22/00/96/325220096.db2.gz AQCGNNGTSJSILB-QWRGUYRKSA-N 2 0 272.314 2.506 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(C4CC4)s3)C[C@H]21 ZINC000582666514 325224049 /nfs/dbraw/zinc/22/40/49/325224049.db2.gz RYTUXUGZWSONJC-IACUBPJLSA-N 2 0 277.437 2.580 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000582713265 325228237 /nfs/dbraw/zinc/22/82/37/325228237.db2.gz MDKVWZCKKKTGDD-ROUUACIJSA-N 2 0 283.419 2.571 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000582855794 325239821 /nfs/dbraw/zinc/23/98/21/325239821.db2.gz CKHYJFPOUWAXFG-JKSUJKDBSA-N 2 0 284.407 2.540 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000582869358 325240716 /nfs/dbraw/zinc/24/07/16/325240716.db2.gz XSGUYXJXPZRZHE-DZOHQFGASA-N 2 0 288.435 2.837 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000582915921 325245429 /nfs/dbraw/zinc/24/54/29/325245429.db2.gz JCXUEUGPFDQCJV-PBHCIXSXSA-N 3 0 293.499 2.889 20 0 CFADRP CC(C)C(C[NH2+]CCCC[NH+]1CCOCC1)C(C)C ZINC000583385976 325282820 /nfs/dbraw/zinc/28/28/20/325282820.db2.gz CFHFZGNONCQKMP-UHFFFAOYSA-N 2 0 270.461 2.617 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000583440724 325287299 /nfs/dbraw/zinc/28/72/99/325287299.db2.gz SIRPEIRIYJQEIY-RDJZCZTQSA-N 2 0 260.425 2.968 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2noc3ccccc32)[C@@H](C)C1 ZINC000583575013 325297834 /nfs/dbraw/zinc/29/78/34/325297834.db2.gz PUSNDDBDGUSASN-JSGCOSHPSA-N 2 0 273.380 2.648 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2noc3ccccc32)[C@H](C)C1 ZINC000583575014 325298021 /nfs/dbraw/zinc/29/80/21/325298021.db2.gz PUSNDDBDGUSASN-OCCSQVGLSA-N 2 0 273.380 2.648 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCc2cccs2)CC1 ZINC000583687481 325303446 /nfs/dbraw/zinc/30/34/46/325303446.db2.gz FRNNSCIUSNOOPX-UHFFFAOYSA-N 2 0 252.427 2.788 20 0 CFADRP CC(C)[NH2+]CCCN[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000583806559 325311645 /nfs/dbraw/zinc/31/16/45/325311645.db2.gz YFPRHXVAUKCPAB-WMZOPIPTSA-N 2 0 289.467 2.627 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000583928531 325318946 /nfs/dbraw/zinc/31/89/46/325318946.db2.gz CDRLOYCMEPQBNE-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC1CCCCCC1 ZINC000584378227 329307034 /nfs/dbraw/zinc/30/70/34/329307034.db2.gz BNFWIBHSWWQRAW-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP Nc1ccc(F)c(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001243287479 782113193 /nfs/dbraw/zinc/11/31/93/782113193.db2.gz ZGMZBIMTZAQVBV-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000156950038 519861712 /nfs/dbraw/zinc/86/17/12/519861712.db2.gz KKUGSMOUMWWWNW-STQMWFEESA-N 2 0 281.469 2.881 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)C12CCC2 ZINC000087709044 520574176 /nfs/dbraw/zinc/57/41/76/520574176.db2.gz CLQJJUBCLJGRFQ-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)CCCC[NH3+])ccc1Cl ZINC000423139845 533766659 /nfs/dbraw/zinc/76/66/59/533766659.db2.gz WQFOWFNXMFDAKN-LBPRGKRZSA-N 2 0 284.831 2.998 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414872242 533772449 /nfs/dbraw/zinc/77/24/49/533772449.db2.gz FLBSNJYYDLJJJZ-ZDUSSCGKSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422735767 533787186 /nfs/dbraw/zinc/78/71/86/533787186.db2.gz VEISYGRKYBHKNJ-XIRDDKMYSA-N 2 0 289.467 2.833 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422882104 533796908 /nfs/dbraw/zinc/79/69/08/533796908.db2.gz PAFLYZUBEJYPGV-XDNAFOTISA-N 3 0 295.515 2.852 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-n2cccn2)c1 ZINC000422807872 533813036 /nfs/dbraw/zinc/81/30/36/533813036.db2.gz KEDQKKTYMDGZOA-JTUUTPGSSA-N 2 0 296.418 2.806 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422865217 533836879 /nfs/dbraw/zinc/83/68/79/533836879.db2.gz OMFLMBBXBSXJII-ABAIWWIYSA-N 2 0 282.428 2.906 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422876023 533844979 /nfs/dbraw/zinc/84/49/79/533844979.db2.gz FVDANMXPQXQMDL-BRWVUGGUSA-N 3 0 283.504 2.852 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423006217 533845679 /nfs/dbraw/zinc/84/56/79/533845679.db2.gz UPBMQUJMFAHIQX-CYBMUJFWSA-N 2 0 284.831 2.964 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000415012079 533846388 /nfs/dbraw/zinc/84/63/88/533846388.db2.gz IJKDUNRYJOSDNM-GFCCVEGCSA-N 2 0 273.380 2.548 20 0 CFADRP C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422787394 533847591 /nfs/dbraw/zinc/84/75/91/533847591.db2.gz QETSXEIYTOTTPZ-HNNXBMFYSA-N 2 0 298.434 2.667 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423152188 533848471 /nfs/dbraw/zinc/84/84/71/533848471.db2.gz DXTDVRUMVKQAFQ-SNVBAGLBSA-N 2 0 275.318 2.708 20 0 CFADRP C[C@@H](O)[C@](C)(C[NH2+][C@H](C)CCCC[NH3+])Cc1ccccc1 ZINC000423083363 533863539 /nfs/dbraw/zinc/86/35/39/533863539.db2.gz YSBYSCNGKWHDEJ-NUJGCVRESA-N 2 0 292.467 2.723 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423259827 533866083 /nfs/dbraw/zinc/86/60/83/533866083.db2.gz PCVMCUSTYUASJI-LSDHHAIUSA-N 2 0 275.440 2.793 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000414111031 533871342 /nfs/dbraw/zinc/87/13/42/533871342.db2.gz IRDXKSOYPHZWII-VKJFTORMSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422813505 533871630 /nfs/dbraw/zinc/87/16/30/533871630.db2.gz ZIYBOSZKNWGQAR-OLZOCXBDSA-N 2 0 289.423 2.813 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000422902307 533870566 /nfs/dbraw/zinc/87/05/66/533870566.db2.gz MSOFCTCVFKULMD-DJIMGWMZSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000422843661 533870768 /nfs/dbraw/zinc/87/07/68/533870768.db2.gz JDMGBWHSLDJXDJ-ZDUSSCGKSA-N 2 0 260.425 2.724 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000422815033 533881536 /nfs/dbraw/zinc/88/15/36/533881536.db2.gz AOAKNXWATTXSJQ-RNJOBUHISA-N 2 0 278.362 2.943 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348619 533884019 /nfs/dbraw/zinc/88/40/19/533884019.db2.gz UNCCHZBQYMMQCS-LLVKDONJSA-N 2 0 280.799 2.919 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc(OC)c1 ZINC000415022791 533885013 /nfs/dbraw/zinc/88/50/13/533885013.db2.gz JNNOYQXQWPUAER-HDJSIYSDSA-N 2 0 292.423 2.559 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423345325 533890265 /nfs/dbraw/zinc/89/02/65/533890265.db2.gz YSVSGSHXIUVZSB-GUYCJALGSA-N 2 0 274.408 2.757 20 0 CFADRP C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422891146 533895569 /nfs/dbraw/zinc/89/55/69/533895569.db2.gz KDOXYWKIWAARCF-BHYGNILZSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@@H](CCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000159090603 522522898 /nfs/dbraw/zinc/52/28/98/522522898.db2.gz PFDZVIUREASFCG-AWEZNQCLSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(O)c1 ZINC000423421820 533910240 /nfs/dbraw/zinc/91/02/40/533910240.db2.gz KNTNFHUBLGIEKP-IHRRRGAJSA-N 2 0 262.397 2.808 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414857193 533916224 /nfs/dbraw/zinc/91/62/24/533916224.db2.gz PCBUJAULQZHFQI-WCQYABFASA-N 2 0 252.789 2.818 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414778516 533930412 /nfs/dbraw/zinc/93/04/12/533930412.db2.gz IYLNKLJLEOIXLK-HOTGVXAUSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000422767965 533973243 /nfs/dbraw/zinc/97/32/43/533973243.db2.gz NKAGRLKAZMPLCR-STQMWFEESA-N 2 0 258.409 2.824 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000422729796 534002040 /nfs/dbraw/zinc/00/20/40/534002040.db2.gz CKONEZHKPILYJR-HOTGVXAUSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)COCc1ccccc1 ZINC000422771032 534055394 /nfs/dbraw/zinc/05/53/94/534055394.db2.gz XKFWBGNJTNCOFL-QTXGHNMQSA-N 2 0 288.435 2.712 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000415078597 534058684 /nfs/dbraw/zinc/05/86/84/534058684.db2.gz GQVBXDQKFVNRHO-CHWSQXEVSA-N 2 0 252.427 2.516 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423214782 534065378 /nfs/dbraw/zinc/06/53/78/534065378.db2.gz NCHURJWVFFZLSO-UPLPUUPKSA-N 2 0 274.383 2.932 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc(F)cc1 ZINC000427123821 534070052 /nfs/dbraw/zinc/07/00/52/534070052.db2.gz ZQYWBIHCRXBUTK-INWMFGNUSA-N 2 0 262.372 2.613 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000422742728 534071106 /nfs/dbraw/zinc/07/11/06/534071106.db2.gz GZIYAJFQYDWHKC-RYRKJORJSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423101851 534071262 /nfs/dbraw/zinc/07/12/62/534071262.db2.gz DHPPZEIJGBJGLV-GHMZBOCLSA-N 2 0 264.335 2.697 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422799131 534072226 /nfs/dbraw/zinc/07/22/26/534072226.db2.gz VIJITECTWSOFOB-YPMHNXCESA-N 2 0 284.350 2.766 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000422786835 534075071 /nfs/dbraw/zinc/07/50/71/534075071.db2.gz SZNRZERCFJBYFU-RHSMWYFYSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735956 534077188 /nfs/dbraw/zinc/07/71/88/534077188.db2.gz FQEORINNARBTKR-HUBLWGQQSA-N 2 0 250.361 2.659 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422784672 534077348 /nfs/dbraw/zinc/07/73/48/534077348.db2.gz QCWKUAUMGUKVPB-DYEKYZERSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)CC[NH2+]1 ZINC000414735858 534077514 /nfs/dbraw/zinc/07/75/14/534077514.db2.gz HHXBIFMAEVECOS-STQMWFEESA-N 2 0 278.444 2.527 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)C[NH+](C)C ZINC000425955369 534080399 /nfs/dbraw/zinc/08/03/99/534080399.db2.gz ZESJSOLRSBKHJY-BLLLJJGKSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000422784682 534081832 /nfs/dbraw/zinc/08/18/32/534081832.db2.gz QCWKUAUMGUKVPB-YRGRVCCFSA-N 2 0 252.427 2.657 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000415027529 534091297 /nfs/dbraw/zinc/09/12/97/534091297.db2.gz BAOKZROUTRYHKF-AAEUAGOBSA-N 2 0 252.789 2.865 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422758457 534106086 /nfs/dbraw/zinc/10/60/86/534106086.db2.gz DVZOQLXSUZHAPA-CVEARBPZSA-N 2 0 278.465 2.945 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000425338777 534111346 /nfs/dbraw/zinc/11/13/46/534111346.db2.gz QFJHDTHAQOLAQV-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000425341240 534115859 /nfs/dbraw/zinc/11/58/59/534115859.db2.gz CQRRXMFGVKUKJL-KGLIPLIRSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000414794238 534135343 /nfs/dbraw/zinc/13/53/43/534135343.db2.gz FMPAFEUPPSRJOO-NRSFXHEJSA-N 2 0 287.451 2.539 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422870476 534147872 /nfs/dbraw/zinc/14/78/72/534147872.db2.gz BWCOYRBDUFHSBZ-TZMCWYRMSA-N 2 0 264.438 2.934 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414827804 534149368 /nfs/dbraw/zinc/14/93/68/534149368.db2.gz YKWLJVVTMLTQNK-RYUDHWBXSA-N 2 0 297.830 2.692 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC(F)(F)C1 ZINC000423126876 534176236 /nfs/dbraw/zinc/17/62/36/534176236.db2.gz JFJBDRKGIILQSL-SMDDNHRTSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCC[NH2+]C1 ZINC000414919544 534176310 /nfs/dbraw/zinc/17/63/10/534176310.db2.gz XJOTYBHJLYPRLV-SFHVURJKSA-N 2 0 288.435 2.955 20 0 CFADRP CSc1ccc(CC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423095465 534200973 /nfs/dbraw/zinc/20/09/73/534200973.db2.gz MLHFWCKLTUGATE-GFCCVEGCSA-N 2 0 252.427 2.668 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920466 534232589 /nfs/dbraw/zinc/23/25/89/534232589.db2.gz ZLLYHYUTGNEFRG-XJKSGUPXSA-N 2 0 264.388 2.736 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423274271 534335704 /nfs/dbraw/zinc/33/57/04/534335704.db2.gz LRKKTMNHIBYAOF-VXGBXAGGSA-N 2 0 296.436 2.575 20 0 CFADRP Brc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000087646828 518220292 /nfs/dbraw/zinc/22/02/92/518220292.db2.gz WWMSFMFDDWRGQK-GFCCVEGCSA-N 2 0 283.213 2.538 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423215600 534337882 /nfs/dbraw/zinc/33/78/82/534337882.db2.gz NEUVBFITWQRCTQ-SDDRHHMPSA-N 2 0 296.436 2.573 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccsc1 ZINC000422807786 534350430 /nfs/dbraw/zinc/35/04/30/534350430.db2.gz NDKZLHWKSCVRCY-LLVKDONJSA-N 2 0 275.421 2.804 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000226063854 518693840 /nfs/dbraw/zinc/69/38/40/518693840.db2.gz FLQKOZWFAMLZDG-XUWVNRHRSA-N 2 0 282.472 2.684 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423118436 534378628 /nfs/dbraw/zinc/37/86/28/534378628.db2.gz AOHOCLDUEBJUDT-UDSBESMDSA-N 2 0 276.346 2.838 20 0 CFADRP CC(C)(C)OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194537512 518874330 /nfs/dbraw/zinc/87/43/30/518874330.db2.gz IRBWYZMZWICYKO-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC1CCCC1 ZINC000423094390 534390374 /nfs/dbraw/zinc/39/03/74/534390374.db2.gz BPIQCRMNIVUZIP-XLAORIBOSA-N 2 0 294.483 2.686 20 0 CFADRP FC(F)(F)Oc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414829526 534407094 /nfs/dbraw/zinc/40/70/94/534407094.db2.gz KSZMIDYHTBJNCB-LLVKDONJSA-N 2 0 288.313 2.674 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414857152 534419249 /nfs/dbraw/zinc/41/92/49/534419249.db2.gz PAIQBENVNVCCFC-SECBINFHSA-N 2 0 278.343 2.856 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423118914 534434036 /nfs/dbraw/zinc/43/40/36/534434036.db2.gz CQKQIQLYQWNVTI-CAEXGNQWSA-N 2 0 254.393 2.777 20 0 CFADRP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414823526 534441595 /nfs/dbraw/zinc/44/15/95/534441595.db2.gz DTNHYPYGJVXOQY-NSHDSACASA-N 2 0 288.313 2.516 20 0 CFADRP CC(C)CCC[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000338421247 519641065 /nfs/dbraw/zinc/64/10/65/519641065.db2.gz OGGAKADTPLQDJZ-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000155812377 519643771 /nfs/dbraw/zinc/64/37/71/519643771.db2.gz UJOMFRDDOGKCFY-JKSUJKDBSA-N 2 0 269.477 2.568 20 0 CFADRP CC(C)[NH+](CCSC[C@H]1CC[N@H+](C)C1)C(C)C ZINC000191213491 519650885 /nfs/dbraw/zinc/65/08/85/519650885.db2.gz CXVCQXMBSXTUDA-AWEZNQCLSA-N 2 0 258.475 2.790 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000338797640 519692576 /nfs/dbraw/zinc/69/25/76/519692576.db2.gz YNUYMWVIGHGIEL-SFHVURJKSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000079978529 519794924 /nfs/dbraw/zinc/79/49/24/519794924.db2.gz UMLJZNDVJJLMEX-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000084987800 519816184 /nfs/dbraw/zinc/81/61/84/519816184.db2.gz PIGPEXWPGOFIMJ-FJIDUMEYSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423339911 534450129 /nfs/dbraw/zinc/45/01/29/534450129.db2.gz BRFYZYNOVONCLI-COCCGSRQSA-N 2 0 287.451 2.965 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2(OC)CCCC2)CC1 ZINC000361554871 519844253 /nfs/dbraw/zinc/84/42/53/519844253.db2.gz VTUMQVGIERXAEW-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CCCC(O)(CCC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192882875 519886781 /nfs/dbraw/zinc/88/67/81/519886781.db2.gz LOPMYDQENLXOBB-GOOCMWNKSA-N 2 0 268.445 2.533 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)ccc2n1 ZINC000097862605 534466750 /nfs/dbraw/zinc/46/67/50/534466750.db2.gz BFDYSTIHFLQHKQ-OAHLLOKOSA-N 2 0 269.392 2.714 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360064734 520193165 /nfs/dbraw/zinc/19/31/65/520193165.db2.gz WFURREWVZQSVCE-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP Fc1ccc(OCCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422830559 534482149 /nfs/dbraw/zinc/48/21/49/534482149.db2.gz IRCHTIMBOROAKO-XYPWUTKMSA-N 2 0 292.398 2.857 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000168662925 520407687 /nfs/dbraw/zinc/40/76/87/520407687.db2.gz ONFMKMHHLRZTSH-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C12CCCCC2 ZINC000312472826 520425389 /nfs/dbraw/zinc/42/53/89/520425389.db2.gz HAOLMFGRGXUXNG-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423238735 534494573 /nfs/dbraw/zinc/49/45/73/534494573.db2.gz AUGNGGIYVAXSLZ-BLLLJJGKSA-N 2 0 262.372 2.866 20 0 CFADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337147 534496705 /nfs/dbraw/zinc/49/67/05/534496705.db2.gz HJCWMTFUFRTAGI-SJORKVTESA-N 2 0 274.383 2.971 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000087406585 520636385 /nfs/dbraw/zinc/63/63/85/520636385.db2.gz SDAOWZNWURLUGO-KBPBESRZSA-N 2 0 280.460 2.890 20 0 CFADRP CC1(C[NH2+][C@@H]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000334864281 520736731 /nfs/dbraw/zinc/73/67/31/520736731.db2.gz OSCUQNPNYSLPAK-MRXNPFEDSA-N 2 0 258.409 2.523 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)OC(C)C ZINC000360947139 520737213 /nfs/dbraw/zinc/73/72/13/520737213.db2.gz LLWYIHHWONATKL-HZPDHXFCSA-N 2 0 298.471 2.818 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)c1ccco1 ZINC000360856113 520869409 /nfs/dbraw/zinc/86/94/09/520869409.db2.gz GLFUSZDFYKLBRL-OWCLPIDISA-N 2 0 293.455 2.592 20 0 CFADRP CC[N@H+](CCCc1ccc(C)nc1)[C@H]1CCC[NH2+]CC1 ZINC000339411640 521042382 /nfs/dbraw/zinc/04/23/82/521042382.db2.gz ZTEKJJLDKKSKLQ-KRWDZBQOSA-N 2 0 275.440 2.787 20 0 CFADRP CCC[C@H](CC)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353623125 521080712 /nfs/dbraw/zinc/08/07/12/521080712.db2.gz AHLALDFNUDSGRM-ZDUSSCGKSA-N 2 0 258.475 2.982 20 0 CFADRP [NH3+]C1(C[NH2+]C2Cc3ccccc3C2)CCCCCC1 ZINC000414860177 534548031 /nfs/dbraw/zinc/54/80/31/534548031.db2.gz ONMFFMHFKKGQGY-UHFFFAOYSA-N 2 0 258.409 2.795 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000155711977 521691385 /nfs/dbraw/zinc/69/13/85/521691385.db2.gz IGFPFIXHJMEGNT-GJZGRUSLSA-N 2 0 293.430 2.502 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000155640398 521691462 /nfs/dbraw/zinc/69/14/62/521691462.db2.gz OBWQUGNVMJXVBA-GJZGRUSLSA-N 2 0 295.496 2.733 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)[C@@H](C)C1 ZINC000358139696 521707661 /nfs/dbraw/zinc/70/76/61/521707661.db2.gz KYASYWQXGWOAIN-XHSDSOJGSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000149638565 521717917 /nfs/dbraw/zinc/71/79/17/521717917.db2.gz NPQUMMXPXCZAAX-MLGOLLRUSA-N 2 0 278.827 2.739 20 0 CFADRP [NH3+]CCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423326438 534605671 /nfs/dbraw/zinc/60/56/71/534605671.db2.gz MGIYPFXXPBNSRS-UHFFFAOYSA-N 2 0 254.418 2.585 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000414746613 534609878 /nfs/dbraw/zinc/60/98/78/534609878.db2.gz SNNNLKOCNHTQFJ-CORIIIEPSA-N 2 0 279.453 2.977 20 0 CFADRP CCc1cnccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000361131410 522084884 /nfs/dbraw/zinc/08/48/84/522084884.db2.gz JCTXJUDMEQJMQG-HIFRSBDPSA-N 2 0 261.413 2.779 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428053742 534638543 /nfs/dbraw/zinc/63/85/43/534638543.db2.gz MJJLZLXUJFKWPU-ZBFHGGJFSA-N 2 0 278.827 2.956 20 0 CFADRP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423318957 534639841 /nfs/dbraw/zinc/63/98/41/534639841.db2.gz LFZAQZARDNDYBL-GDBMZVCRSA-N 2 0 278.827 2.860 20 0 CFADRP Clc1cccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034777 534646679 /nfs/dbraw/zinc/64/66/79/534646679.db2.gz ZVTZDQOUULOVNQ-UHFFFAOYSA-N 2 0 294.826 2.794 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000234698521 522667771 /nfs/dbraw/zinc/66/77/71/522667771.db2.gz YAVGRCATEPAXMM-KDOFPFPSSA-N 2 0 290.451 2.970 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000234798511 522668453 /nfs/dbraw/zinc/66/84/53/522668453.db2.gz FLDZKPXHRJRFCT-HOTGVXAUSA-N 2 0 282.403 2.866 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1cccs1 ZINC000050952639 522728905 /nfs/dbraw/zinc/72/89/05/522728905.db2.gz BZIDYDDWHMKSSO-UHFFFAOYSA-N 2 0 252.427 2.960 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340707951 522782081 /nfs/dbraw/zinc/78/20/81/522782081.db2.gz JJSDYGROJGWXDU-INIZCTEOSA-N 2 0 280.387 2.526 20 0 CFADRP COCC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000361317785 522869422 /nfs/dbraw/zinc/86/94/22/522869422.db2.gz CIWVGPPNACSCOR-INIZCTEOSA-N 2 0 280.456 2.611 20 0 CFADRP COCC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000361301182 522870244 /nfs/dbraw/zinc/87/02/44/522870244.db2.gz VEWVKWPFKJLADM-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)s1 ZINC000084385195 522931119 /nfs/dbraw/zinc/93/11/19/522931119.db2.gz LXQYGLANFLOCNY-JTQLQIEISA-N 2 0 258.818 2.833 20 0 CFADRP COCc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000088552519 523053977 /nfs/dbraw/zinc/05/39/77/523053977.db2.gz NRUZPBVJRGZQIH-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000423100169 534691094 /nfs/dbraw/zinc/69/10/94/534691094.db2.gz GLXLSSCUGSLGNU-QFBILLFUSA-N 2 0 297.446 2.871 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093497 534712046 /nfs/dbraw/zinc/71/20/46/534712046.db2.gz HSXOGDXWUUXESF-BHTHQVBYSA-N 2 0 262.372 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422946011 534715469 /nfs/dbraw/zinc/71/54/69/534715469.db2.gz OFZVHDRMZFBDQI-ZIAGYGMSSA-N 2 0 252.789 2.742 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422700597 534715713 /nfs/dbraw/zinc/71/57/13/534715713.db2.gz AIJXQXYRJAAZFM-HZPDHXFCSA-N 2 0 268.445 2.975 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000414999800 534725295 /nfs/dbraw/zinc/72/52/95/534725295.db2.gz SMYQCACYDRENNJ-JSGCOSHPSA-N 2 0 287.382 2.981 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000225380757 523753102 /nfs/dbraw/zinc/75/31/02/523753102.db2.gz DTCAFQGJPNESFM-UHFFFAOYSA-N 2 0 273.833 2.618 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337998568 523759955 /nfs/dbraw/zinc/75/99/55/523759955.db2.gz VLRDSPNIRFKIQC-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160800939 523764821 /nfs/dbraw/zinc/76/48/21/523764821.db2.gz JCUBJZZXZGLVDS-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000305649959 523823793 /nfs/dbraw/zinc/82/37/93/523823793.db2.gz UAEZKPYAJIXXCG-PMPSAXMXSA-N 2 0 292.423 2.652 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000311170374 523857734 /nfs/dbraw/zinc/85/77/34/523857734.db2.gz SIVLXYURXGVILP-OLZOCXBDSA-N 2 0 250.386 2.782 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360933185 523875788 /nfs/dbraw/zinc/87/57/88/523875788.db2.gz KNVFOVMJCMIZTJ-NUJGCVRESA-N 2 0 290.451 2.912 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1Cl ZINC000086595822 524024061 /nfs/dbraw/zinc/02/40/61/524024061.db2.gz XZYUKKFUMKKFBV-LLVKDONJSA-N 2 0 282.815 2.908 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000056522708 524051103 /nfs/dbraw/zinc/05/11/03/524051103.db2.gz ORJBDLYNCHMRCB-UHFFFAOYSA-N 2 0 294.414 2.868 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000235441659 524171651 /nfs/dbraw/zinc/17/16/51/524171651.db2.gz ICIQCQGJNJJKMB-MRVPVSSYSA-N 2 0 291.620 2.929 20 0 CFADRP C[C@H]1CCC[C@@](CNC2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000314141129 524170055 /nfs/dbraw/zinc/17/00/55/524170055.db2.gz LLKOZDKBSAZMMO-MAUKXSAKSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)CC[NH+](C)C ZINC000049553216 524234997 /nfs/dbraw/zinc/23/49/97/524234997.db2.gz XWWPZYKRZNSFAR-ZIAGYGMSSA-N 2 0 292.423 2.666 20 0 CFADRP Cc1ccc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cn1 ZINC000261762644 524240348 /nfs/dbraw/zinc/24/03/48/524240348.db2.gz DBDMYSPOJMZJSS-UHFFFAOYSA-N 2 0 273.424 2.569 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000311916849 524306466 /nfs/dbraw/zinc/30/64/66/524306466.db2.gz FXYMVFYNIVXSGA-CQSZACIVSA-N 2 0 254.377 2.960 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000227914437 524363513 /nfs/dbraw/zinc/36/35/13/524363513.db2.gz GHINJGCFXLYTQT-IRXDYDNUSA-N 2 0 258.409 2.754 20 0 CFADRP C[C@H](CNc1cc[nH+]cc1-c1cccnc1)C[NH+]1CCCC1 ZINC000367714379 524367599 /nfs/dbraw/zinc/36/75/99/524367599.db2.gz ASXOTJSRFBCURL-OAHLLOKOSA-N 2 0 296.418 2.709 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000305723112 524384537 /nfs/dbraw/zinc/38/45/37/524384537.db2.gz DTXBMWHPHMWYEP-IKGGRYGDSA-N 2 0 282.472 2.639 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000312391812 524446627 /nfs/dbraw/zinc/44/66/27/524446627.db2.gz CXJDHKVFXNPRCJ-KRWDZBQOSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000157594641 524549001 /nfs/dbraw/zinc/54/90/01/524549001.db2.gz XOERMRBYJFNXIP-IRXDYDNUSA-N 2 0 292.471 2.763 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH3+])cc1Br ZINC000164756319 524574958 /nfs/dbraw/zinc/57/49/58/524574958.db2.gz DQGQQAAIKZYDFR-UHFFFAOYSA-N 2 0 271.202 2.586 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000334857874 524696075 /nfs/dbraw/zinc/69/60/75/524696075.db2.gz PPOFEGWXIZALIW-SMDDNHRTSA-N 2 0 260.406 2.989 20 0 CFADRP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C1 ZINC000374169141 524707726 /nfs/dbraw/zinc/70/77/26/524707726.db2.gz DJKDGPCOOWUCNH-TVFCKZIOSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCc2ccccc21 ZINC000192752096 524736603 /nfs/dbraw/zinc/73/66/03/524736603.db2.gz GYCUMLYJYSNWHT-MIGBEJBISA-N 2 0 299.462 2.652 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1F ZINC000050545699 524755928 /nfs/dbraw/zinc/75/59/28/524755928.db2.gz NCAGBLFQRJEDLW-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414855396 534807743 /nfs/dbraw/zinc/80/77/43/534807743.db2.gz NCQILQOTIHESNL-IUODEOHRSA-N 2 0 292.471 2.733 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414855395 534808039 /nfs/dbraw/zinc/80/80/39/534808039.db2.gz NCQILQOTIHESNL-DOMZBBRYSA-N 2 0 292.471 2.733 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414845820 534808161 /nfs/dbraw/zinc/80/81/61/534808161.db2.gz GFFSOXZQAMDDML-OAHLLOKOSA-N 2 0 292.471 2.734 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cc(F)ccc2F)CC[N@@H+]1C ZINC000157199845 524923557 /nfs/dbraw/zinc/92/35/57/524923557.db2.gz DOSYEMRGTNJMAI-SMDDNHRTSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N(C)CC[NH+](C)C ZINC000360667484 524967878 /nfs/dbraw/zinc/96/78/78/524967878.db2.gz XSALWZWQSBUNIB-UHFFFAOYSA-N 2 0 257.381 2.849 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224547361 524971992 /nfs/dbraw/zinc/97/19/92/524971992.db2.gz HLVADEKGOVJXHE-BBRMVZONSA-N 2 0 264.388 2.749 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000336312088 524992313 /nfs/dbraw/zinc/99/23/13/524992313.db2.gz AZLLOPILEITVJB-LLVKDONJSA-N 2 0 292.814 2.547 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@]1(C)C[NH3+] ZINC000312251317 524999375 /nfs/dbraw/zinc/99/93/75/524999375.db2.gz FPAYBCGMQRQRAG-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000312691866 525002239 /nfs/dbraw/zinc/00/22/39/525002239.db2.gz QNGGWOBKYHBDKI-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000168633086 525024536 /nfs/dbraw/zinc/02/45/36/525024536.db2.gz RVWQVYOHXAIKGV-PBHICJAKSA-N 2 0 284.403 2.888 20 0 CFADRP Cc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453023 525168092 /nfs/dbraw/zinc/16/80/92/525168092.db2.gz MAFWKGKOMGJFDR-CALCHBBNSA-N 2 0 290.451 2.974 20 0 CFADRP Cc1ccccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000067453027 525168729 /nfs/dbraw/zinc/16/87/29/525168729.db2.gz MAFWKGKOMGJFDR-IRXDYDNUSA-N 2 0 290.451 2.974 20 0 CFADRP C[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCO1 ZINC000167018502 525265920 /nfs/dbraw/zinc/26/59/20/525265920.db2.gz LKYBMCDWZBKSOB-QGZVFWFLSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361176949 525292060 /nfs/dbraw/zinc/29/20/60/525292060.db2.gz YPVJXADQSDDQMX-HZPDHXFCSA-N 2 0 276.424 2.694 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309730379 525334007 /nfs/dbraw/zinc/33/40/07/525334007.db2.gz OUBJBLICEFDQST-MRXNPFEDSA-N 2 0 290.476 2.994 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cccnc2)CC[NH+](C)CC1 ZINC000353639448 525335041 /nfs/dbraw/zinc/33/50/41/525335041.db2.gz DCTNUJZPEPBSES-ZDUSSCGKSA-N 2 0 279.453 2.560 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000235146089 525335306 /nfs/dbraw/zinc/33/53/06/525335306.db2.gz LCXGLRXCZBKQAB-HZSPNIEDSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@H]([NH2+]CCCF)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309696785 525335929 /nfs/dbraw/zinc/33/59/29/525335929.db2.gz DPSIDWAIKOTDCV-HOCLYGCPSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092063 525395572 /nfs/dbraw/zinc/39/55/72/525395572.db2.gz NFRHYVZAFBLLRH-MPTYRVRUSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000216057224 525408773 /nfs/dbraw/zinc/40/87/73/525408773.db2.gz HQGZBHDOZGCISW-ZYHUDNBSSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000361024380 525435837 /nfs/dbraw/zinc/43/58/37/525435837.db2.gz XNZZCQKDHLMLGN-RHSMWYFYSA-N 2 0 288.435 2.626 20 0 CFADRP CSCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229211251 525438914 /nfs/dbraw/zinc/43/89/14/525438914.db2.gz PMMPLNBMNRZBAG-MJBXVCDLSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000366673708 525439935 /nfs/dbraw/zinc/43/99/35/525439935.db2.gz YDZUJVDAKMHWNV-INMHGKMJSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000340364989 525452997 /nfs/dbraw/zinc/45/29/97/525452997.db2.gz HEVPOHGSYCUULK-CQSZACIVSA-N 2 0 276.424 2.793 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c(C)s1 ZINC000151797739 525462544 /nfs/dbraw/zinc/46/25/44/525462544.db2.gz RSEWEZIQMUGLEJ-CYBMUJFWSA-N 2 0 296.480 2.720 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192907539 525462576 /nfs/dbraw/zinc/46/25/76/525462576.db2.gz HFQPDAUTYXCMFB-XYTVBORESA-N 2 0 288.435 2.977 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192907548 525469661 /nfs/dbraw/zinc/46/96/61/525469661.db2.gz HFQPDAUTYXCMFB-MGNMYUMUSA-N 2 0 288.435 2.977 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCOC1 ZINC000356901901 525593411 /nfs/dbraw/zinc/59/34/11/525593411.db2.gz QMMGQLXNXDZHCF-SOUVJXGZSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000370623982 525641395 /nfs/dbraw/zinc/64/13/95/525641395.db2.gz FDLFEPTYPHLOAP-ZIAGYGMSSA-N 2 0 293.480 2.567 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)ccc2[nH]1 ZINC000335011409 525641543 /nfs/dbraw/zinc/64/15/43/525641543.db2.gz RTYXURFWXZWNJP-LRDDRELGSA-N 2 0 271.408 2.954 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339412585 525830347 /nfs/dbraw/zinc/83/03/47/525830347.db2.gz QASPAXPMFCGFAX-KRWDZBQOSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000335007635 525831331 /nfs/dbraw/zinc/83/13/31/525831331.db2.gz HRXKQVIGRQSDIJ-HOTGVXAUSA-N 2 0 262.372 2.874 20 0 CFADRP CSc1ccc(C[NH2+]CCCC[NH+](C)C)s1 ZINC000309861938 526003239 /nfs/dbraw/zinc/00/32/39/526003239.db2.gz MYOQJOKPMCBYGW-UHFFFAOYSA-N 2 0 258.456 2.901 20 0 CFADRP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337162 526064660 /nfs/dbraw/zinc/06/46/60/526064660.db2.gz ANNZLEQWXUQJMZ-KBXCAEBGSA-N 2 0 284.403 2.950 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000192025314 526074940 /nfs/dbraw/zinc/07/49/40/526074940.db2.gz SNZWDLZOPHNWCI-INIZCTEOSA-N 2 0 298.434 2.564 20 0 CFADRP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000360883643 526116758 /nfs/dbraw/zinc/11/67/58/526116758.db2.gz ONWJTZSRQIVPGL-JSGCOSHPSA-N 2 0 287.382 2.999 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c[nH]c2c1 ZINC000360945724 526125836 /nfs/dbraw/zinc/12/58/36/526125836.db2.gz FVLONTBBTPMEEY-WMLDXEAASA-N 2 0 285.435 2.949 20 0 CFADRP FC1(F)CC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000336184982 526272134 /nfs/dbraw/zinc/27/21/34/526272134.db2.gz KMCKVASSPQKDHD-HIFRSBDPSA-N 2 0 284.394 2.980 20 0 CFADRP C=Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423141886 526272812 /nfs/dbraw/zinc/27/28/12/526272812.db2.gz SFYLBMPIJJWYOQ-SJPCQFCGSA-N 2 0 256.393 2.745 20 0 CFADRP FCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309953556 526284138 /nfs/dbraw/zinc/28/41/38/526284138.db2.gz HMGPJBVYQCRIJZ-IAGOWNOFSA-N 2 0 276.399 2.800 20 0 CFADRP Fc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000334871656 526331769 /nfs/dbraw/zinc/33/17/69/526331769.db2.gz ZACIKHDWTMGYQI-ZBFHGGJFSA-N 2 0 262.372 2.790 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000192933579 526427759 /nfs/dbraw/zinc/42/77/59/526427759.db2.gz LWLXJTLCNGIWQV-KRWDZBQOSA-N 2 0 269.392 2.626 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cs1 ZINC000336056519 526435311 /nfs/dbraw/zinc/43/53/11/526435311.db2.gz RGEMPLAUPFJTSC-JSGCOSHPSA-N 2 0 250.411 2.885 20 0 CFADRP c1ccc(N[C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000161550672 526482495 /nfs/dbraw/zinc/48/24/95/526482495.db2.gz KKYNORIHMWXFEF-KRWDZBQOSA-N 2 0 273.424 2.659 20 0 CFADRP c1ccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000314860679 526485795 /nfs/dbraw/zinc/48/57/95/526485795.db2.gz VWDKOMWEAHQCJA-UHFFFAOYSA-N 2 0 297.402 2.719 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422759213 526683932 /nfs/dbraw/zinc/68/39/32/526683932.db2.gz KMQNZUWNCFINDN-ZJIFWQFVSA-N 2 0 282.472 2.935 20 0 CFADRP CC(C)(C)c1ccc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000414788457 526777887 /nfs/dbraw/zinc/77/78/87/526777887.db2.gz MRCBZUNKPYRYMT-UHFFFAOYSA-N 2 0 252.427 2.887 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423173030 526814078 /nfs/dbraw/zinc/81/40/78/526814078.db2.gz WRJWXIKINSQJMC-CJNGLKHVSA-N 2 0 275.440 2.986 20 0 CFADRP Clc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257657750 526976765 /nfs/dbraw/zinc/97/67/65/526976765.db2.gz FRZXRJJILZBUKF-UHFFFAOYSA-N 2 0 264.800 2.916 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cs1 ZINC000227498695 527031489 /nfs/dbraw/zinc/03/14/89/527031489.db2.gz QXWYMIHIQMLPTG-LLVKDONJSA-N 2 0 267.442 2.834 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000423317514 527083967 /nfs/dbraw/zinc/08/39/67/527083967.db2.gz BPZPTJCPTUZBEJ-SUMWQHHRSA-N 2 0 289.423 2.685 20 0 CFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]C1CCC([NH3+])CC1 ZINC000336451790 527101601 /nfs/dbraw/zinc/10/16/01/527101601.db2.gz WHURIJGIVYPRLV-UHFFFAOYSA-N 2 0 292.814 2.586 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000335760274 527143399 /nfs/dbraw/zinc/14/33/99/527143399.db2.gz NWXLZNKQSIHHEZ-UHFFFAOYSA-N 2 0 267.376 2.672 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1F ZINC000422857260 527176103 /nfs/dbraw/zinc/17/61/03/527176103.db2.gz YDSXANVWQOEAGV-SWLSCSKDSA-N 2 0 264.388 2.820 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423147848 527177184 /nfs/dbraw/zinc/17/71/84/527177184.db2.gz SWMPHKJNPCGWAR-ARFHVFGLSA-N 2 0 287.451 2.870 20 0 CFADRP [NH3+]CCCOC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000094070093 527181757 /nfs/dbraw/zinc/18/17/57/527181757.db2.gz WFTCVRKMEOPFTD-GOSISDBHSA-N 2 0 288.435 2.894 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150283636 527211855 /nfs/dbraw/zinc/21/18/55/527211855.db2.gz XBAXBFUKKBOEBG-LBPRGKRZSA-N 2 0 254.324 2.795 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423290206 527259534 /nfs/dbraw/zinc/25/95/34/527259534.db2.gz ZOSHIADVAPLBLM-GJZGRUSLSA-N 2 0 276.424 2.697 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCC3CCOCC3)C[C@@H]21 ZINC000312231846 527360737 /nfs/dbraw/zinc/36/07/37/527360737.db2.gz LASXCDQOSHRHKO-YESZJQIVSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086404387 527406435 /nfs/dbraw/zinc/40/64/35/527406435.db2.gz RRPBQSHSORWFML-UWVGGRQHSA-N 2 0 289.242 2.870 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccccc2)c2ccccc21 ZINC000157426287 527419965 /nfs/dbraw/zinc/41/99/65/527419965.db2.gz YLLUHMHYOJBJGO-DLBZAZTESA-N 2 0 268.360 2.800 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000423144145 527485825 /nfs/dbraw/zinc/48/58/25/527485825.db2.gz GDMAWEHSJILEFV-GVDBMIGSSA-N 2 0 280.456 2.704 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000423144144 527485945 /nfs/dbraw/zinc/48/59/45/527485945.db2.gz GDMAWEHSJILEFV-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](C)C1 ZINC000336399670 527569285 /nfs/dbraw/zinc/56/92/85/527569285.db2.gz GMUFIDQJNORNHB-ZDUSSCGKSA-N 2 0 270.380 2.808 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423149025 527740849 /nfs/dbraw/zinc/74/08/49/527740849.db2.gz ADZBMXJSGRWYGP-JZAWBGDQSA-N 2 0 282.472 2.935 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2scnc2C)[C@H](C)C1 ZINC000175728370 527756706 /nfs/dbraw/zinc/75/67/06/527756706.db2.gz SXLOZUYTUZQDPN-TZMCWYRMSA-N 2 0 281.469 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OCC2CC2)[C@H](C)C1 ZINC000414263564 527798951 /nfs/dbraw/zinc/79/89/51/527798951.db2.gz KEMSJRWOLPOYGM-UKRRQHHQSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2)[C@H](C)C1 ZINC000174781409 527831247 /nfs/dbraw/zinc/83/12/47/527831247.db2.gz ARMBJKZTTVILPY-PBHICJAKSA-N 2 0 294.414 2.867 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000423242282 527835520 /nfs/dbraw/zinc/83/55/20/527835520.db2.gz FFADCTAWZRYORJ-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP CCN(C)c1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000414817653 527868250 /nfs/dbraw/zinc/86/82/50/527868250.db2.gz SOXWFDPHZYTYPF-AWEZNQCLSA-N 2 0 298.434 2.847 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@@H]1c1ccccc1 ZINC000423322643 527871431 /nfs/dbraw/zinc/87/14/31/527871431.db2.gz OAWIPXJRIMVBMU-OWCLPIDISA-N 2 0 258.409 2.896 20 0 CFADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423315019 527893700 /nfs/dbraw/zinc/89/37/00/527893700.db2.gz AEIFMQMXWYDKGR-JKSUJKDBSA-N 2 0 288.435 2.841 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423126820 527893930 /nfs/dbraw/zinc/89/39/30/527893930.db2.gz OVYSEOKVGOECLJ-PQEBFOHHSA-N 2 0 288.435 2.950 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423256910 527940062 /nfs/dbraw/zinc/94/00/62/527940062.db2.gz GOSGYFFLVAJRIB-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C12CCC2 ZINC000422780559 527950157 /nfs/dbraw/zinc/95/01/57/527950157.db2.gz KHUXCNZZUVPXLF-OVYGPGRDSA-N 2 0 292.467 2.844 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422874217 527960075 /nfs/dbraw/zinc/96/00/75/527960075.db2.gz CHYDXRHLURSBFO-CHWSQXEVSA-N 2 0 277.412 2.641 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422874218 527960339 /nfs/dbraw/zinc/96/03/39/527960339.db2.gz CHYDXRHLURSBFO-OLZOCXBDSA-N 2 0 277.412 2.641 20 0 CFADRP CC1(C[NH2+]Cc2cccc3cccnc32)CC[NH2+]CC1 ZINC000414910849 527983574 /nfs/dbraw/zinc/98/35/74/527983574.db2.gz SUWFZIKCXGZROC-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC[NH2+]CC1 ZINC000423346279 527985938 /nfs/dbraw/zinc/98/59/38/527985938.db2.gz ZRKBWRAISYTBED-ARFHVFGLSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423256870 528060021 /nfs/dbraw/zinc/06/00/21/528060021.db2.gz GKTFRZOQWBCIHT-RBSFLKMASA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423164366 528085753 /nfs/dbraw/zinc/08/57/53/528085753.db2.gz OGTDLXXXVCNHMM-DMRKSPOLSA-N 2 0 280.456 2.843 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414872415 528113276 /nfs/dbraw/zinc/11/32/76/528113276.db2.gz FZCJXPCDQPABGF-UONOGXRCSA-N 2 0 291.439 2.712 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]1SC ZINC000425353913 528118753 /nfs/dbraw/zinc/11/87/53/528118753.db2.gz NMWZISGMSQGXFD-BFHYXJOUSA-N 2 0 258.475 2.981 20 0 CFADRP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422720693 528149623 /nfs/dbraw/zinc/14/96/23/528149623.db2.gz MSMAHDISTPVQGE-CABCVRRESA-N 2 0 290.451 2.992 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414902060 528161847 /nfs/dbraw/zinc/16/18/47/528161847.db2.gz KDIVIXMHYLBTDI-KRWDZBQOSA-N 2 0 276.424 2.953 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414714918 528171681 /nfs/dbraw/zinc/17/16/81/528171681.db2.gz QPJTWCPUYSSKLZ-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422898694 528172451 /nfs/dbraw/zinc/17/24/51/528172451.db2.gz MSUTZQYUWVXRJW-KBPBESRZSA-N 2 0 264.413 2.937 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000414875657 528195240 /nfs/dbraw/zinc/19/52/40/528195240.db2.gz KEJRNRHQGMGTCZ-KBPBESRZSA-N 2 0 291.439 2.712 20 0 CFADRP CCC[C@H]([NH2+]CCC[NH2+]C)c1ccc(OC)cc1 ZINC000423205490 528219327 /nfs/dbraw/zinc/21/93/27/528219327.db2.gz VWZBADABMQIWQC-HNNXBMFYSA-N 2 0 250.386 2.736 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423282708 528222747 /nfs/dbraw/zinc/22/27/47/528222747.db2.gz WUFHJCRQPZQQMO-BBRMVZONSA-N 2 0 264.413 2.982 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423107079 528236208 /nfs/dbraw/zinc/23/62/08/528236208.db2.gz KLSCZOWAXIXUFS-IKGGRYGDSA-N 2 0 281.488 2.761 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422874112 528245500 /nfs/dbraw/zinc/24/55/00/528245500.db2.gz MYCZITOGKDMLGR-DZGCQCFKSA-N 2 0 262.397 2.611 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422874893 528246037 /nfs/dbraw/zinc/24/60/37/528246037.db2.gz OESXIIIPPITDPO-ZBFHGGJFSA-N 2 0 276.424 2.871 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422874892 528246494 /nfs/dbraw/zinc/24/64/94/528246494.db2.gz OESXIIIPPITDPO-HOCLYGCPSA-N 2 0 276.424 2.871 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861456 528246562 /nfs/dbraw/zinc/24/65/62/528246562.db2.gz MRQQVLIRZDLAFR-IMJJTQAJSA-N 2 0 295.496 2.861 20 0 CFADRP CCN(CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccco1 ZINC000422967823 528278867 /nfs/dbraw/zinc/27/88/67/528278867.db2.gz CPCVFGKBSXAVPJ-UYSNPLJNSA-N 2 0 293.455 2.770 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000422870042 528280133 /nfs/dbraw/zinc/28/01/33/528280133.db2.gz YGHNLKUUAWQUAI-VNHYZAJKSA-N 2 0 283.485 2.846 20 0 CFADRP CC[NH2+]Cc1cccc(NC[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414860549 528347987 /nfs/dbraw/zinc/34/79/87/528347987.db2.gz CWDBHHZVGXLAML-ZFWWWQNUSA-N 2 0 261.413 2.596 20 0 CFADRP CCN(CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422778737 528459999 /nfs/dbraw/zinc/45/99/99/528459999.db2.gz DXWAOAWNIVNZMQ-NVXWUHKLSA-N 2 0 275.440 2.633 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCC(C)CC1 ZINC000422842225 528461372 /nfs/dbraw/zinc/46/13/72/528461372.db2.gz FKNRNPGDSNROEM-DAWZGUTISA-N 2 0 295.515 2.850 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000422843321 528465857 /nfs/dbraw/zinc/46/58/57/528465857.db2.gz HVVZEUUVBYAXRG-KZNAEPCWSA-N 2 0 295.515 2.721 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1([NH3+])CCC1 ZINC000423325844 528488153 /nfs/dbraw/zinc/48/81/53/528488153.db2.gz LVCHHCZEHWQUOP-MRXNPFEDSA-N 2 0 276.424 2.699 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CC1C[NH2+]C1 ZINC000423299093 528489997 /nfs/dbraw/zinc/48/99/97/528489997.db2.gz BGOXKTXURFTVHJ-OAHLLOKOSA-N 2 0 264.438 2.612 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422810028 528498522 /nfs/dbraw/zinc/49/85/22/528498522.db2.gz QUQBFWZDDTVGNA-XKQJLSEDSA-N 2 0 276.424 2.766 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000423257493 528577333 /nfs/dbraw/zinc/57/73/33/528577333.db2.gz JSWCFMDRYYLBLO-KBPBESRZSA-N 2 0 264.417 2.504 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000414960775 528597675 /nfs/dbraw/zinc/59/76/75/528597675.db2.gz ARLLEEYDWDUBNU-CABCVRRESA-N 2 0 278.444 2.517 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414705715 528606233 /nfs/dbraw/zinc/60/62/33/528606233.db2.gz XGSCGJGOYFHPLS-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423337652 528637039 /nfs/dbraw/zinc/63/70/39/528637039.db2.gz KKCVUGVPXPULGH-BFYDXBDKSA-N 2 0 282.472 2.950 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(C)C ZINC000425951016 528637093 /nfs/dbraw/zinc/63/70/93/528637093.db2.gz LXFLIFNUYCCGLZ-RBSFLKMASA-N 2 0 270.461 2.758 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1(C)C ZINC000422819906 528641836 /nfs/dbraw/zinc/64/18/36/528641836.db2.gz OFKXVRUCZWAVBP-XUWVNRHRSA-N 2 0 282.472 2.948 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000422816675 528642335 /nfs/dbraw/zinc/64/23/35/528642335.db2.gz FRNRSRIHZCHKDE-XDQVBPFNSA-N 2 0 256.434 2.686 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414898084 528653750 /nfs/dbraw/zinc/65/37/50/528653750.db2.gz FYCJKAAUROBDCV-INIZCTEOSA-N 2 0 262.397 2.565 20 0 CFADRP CCCCOc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000414778318 528670837 /nfs/dbraw/zinc/67/08/37/528670837.db2.gz PRTJNWHGJPEXPF-UHFFFAOYSA-N 2 0 262.397 2.787 20 0 CFADRP CCCCOc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423177157 528690192 /nfs/dbraw/zinc/69/01/92/528690192.db2.gz AMGIWTKFXNAZPE-ZDUSSCGKSA-N 2 0 250.386 2.865 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423293818 528720635 /nfs/dbraw/zinc/72/06/35/528720635.db2.gz AVCNLLVGQLBPBK-CHWSQXEVSA-N 2 0 250.386 2.721 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422746010 528733168 /nfs/dbraw/zinc/73/31/68/528733168.db2.gz YTNXHFONIHGKAL-UKRRQHHQSA-N 2 0 262.397 2.563 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414851411 528758174 /nfs/dbraw/zinc/75/81/74/528758174.db2.gz JDWYKQIKUPGOKR-GOEBONIOSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422869245 528835949 /nfs/dbraw/zinc/83/59/49/528835949.db2.gz WZVXFJXOQZXRBE-CABCVRRESA-N 3 0 277.456 2.742 20 0 CFADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422869247 528837373 /nfs/dbraw/zinc/83/73/73/528837373.db2.gz WZVXFJXOQZXRBE-HUUCEWRRSA-N 3 0 277.456 2.742 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422819301 528855029 /nfs/dbraw/zinc/85/50/29/528855029.db2.gz MPOJGOBAOMXEJG-BBWFWOEESA-N 2 0 281.488 2.604 20 0 CFADRP CCC(CC)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422821624 528855689 /nfs/dbraw/zinc/85/56/89/528855689.db2.gz XNQFFJFXQZJNAA-FMKPAKJESA-N 2 0 269.477 2.602 20 0 CFADRP CCOC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000189345981 528896425 /nfs/dbraw/zinc/89/64/25/528896425.db2.gz YCVSPAPWULQRBK-OAHLLOKOSA-N 2 0 256.434 2.510 20 0 CFADRP CCC([NH3+])(CC)CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000414802954 528948679 /nfs/dbraw/zinc/94/86/79/528948679.db2.gz CDIQBCNOJZRJDR-UHFFFAOYSA-N 2 0 295.393 2.510 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000414804981 528949689 /nfs/dbraw/zinc/94/96/89/528949689.db2.gz FXJOLUMBPJRXTC-ZDUSSCGKSA-N 2 0 288.439 2.991 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000414815651 528950262 /nfs/dbraw/zinc/95/02/62/528950262.db2.gz XYOJCDVFIMHYJL-ZDUSSCGKSA-N 2 0 292.423 2.844 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423286523 528951946 /nfs/dbraw/zinc/95/19/46/528951946.db2.gz HTLWKGPBXFZMAJ-QLFBSQMISA-N 2 0 268.445 2.689 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000423304027 528958671 /nfs/dbraw/zinc/95/86/71/528958671.db2.gz YCCOJUZBSIOFKW-RCCFBDPRSA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)[NH+]1CCC(NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414809422 529001335 /nfs/dbraw/zinc/00/13/35/529001335.db2.gz MJTDVMIHBRBRMM-CQSZACIVSA-N 2 0 275.440 2.669 20 0 CFADRP CCC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423262055 529009902 /nfs/dbraw/zinc/00/99/02/529009902.db2.gz UDEKIPXLESGHCF-GDBMZVCRSA-N 2 0 261.413 2.902 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422827145 529043101 /nfs/dbraw/zinc/04/31/01/529043101.db2.gz DFRLQFBWYYLYBP-IAGOWNOFSA-N 2 0 276.424 2.830 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422827144 529043471 /nfs/dbraw/zinc/04/34/71/529043471.db2.gz DFRLQFBWYYLYBP-DLBZAZTESA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414790502 529069203 /nfs/dbraw/zinc/06/92/03/529069203.db2.gz GRPWANWXSBXRTB-SMDDNHRTSA-N 2 0 299.256 2.953 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccccc1F ZINC000414794853 529070990 /nfs/dbraw/zinc/07/09/90/529070990.db2.gz MIRYGWBFPUXGQA-IUODEOHRSA-N 2 0 252.377 2.720 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177295213 529148046 /nfs/dbraw/zinc/14/80/46/529148046.db2.gz XCBVNQMGUWXLJP-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)[C@H]1CC1(C)C ZINC000414055749 529160821 /nfs/dbraw/zinc/16/08/21/529160821.db2.gz CYJVYPFOURBJMH-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000422839167 529169047 /nfs/dbraw/zinc/16/90/47/529169047.db2.gz PRQJSGHDCNFNON-CVEARBPZSA-N 2 0 289.398 2.970 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422823073 529169125 /nfs/dbraw/zinc/16/91/25/529169125.db2.gz KZINDIZGKBSJIF-MSOLQXFVSA-N 2 0 298.434 2.535 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423116569 529175716 /nfs/dbraw/zinc/17/57/16/529175716.db2.gz QLALQPCRFNGLQQ-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1cc(C)ccc1OC ZINC000423283101 529177690 /nfs/dbraw/zinc/17/76/90/529177690.db2.gz XCRWQNTYAGKCAR-UKRRQHHQSA-N 2 0 264.413 2.900 20 0 CFADRP CCSc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305483 529247624 /nfs/dbraw/zinc/24/76/24/529247624.db2.gz QTACSRBKCOVEEP-NSHDSACASA-N 2 0 250.411 2.669 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423153742 529278170 /nfs/dbraw/zinc/27/81/70/529278170.db2.gz GVLZNQDJQJEDOC-DFBDCSAJSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420411567 529311890 /nfs/dbraw/zinc/31/18/90/529311890.db2.gz RVQNWFFGJWSKQR-UNEWFSDZSA-N 2 0 276.424 2.906 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1ccccc1C ZINC000422923261 529370939 /nfs/dbraw/zinc/37/09/39/529370939.db2.gz VSJOGAISOHALIL-ILXRZTDVSA-N 2 0 262.397 2.622 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000459798737 535091454 /nfs/dbraw/zinc/09/14/54/535091454.db2.gz XVPZNDJWZNCEDO-JKSUJKDBSA-N 2 0 292.471 2.717 20 0 CFADRP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443056236 535126600 /nfs/dbraw/zinc/12/66/00/535126600.db2.gz CJKNNQGEXNRLQV-QWHCGFSZSA-N 2 0 280.416 2.534 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCOCC2CCCC2)CC1 ZINC000459317278 535152733 /nfs/dbraw/zinc/15/27/33/535152733.db2.gz AXVUQEGHLDBUKO-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000447823706 535163278 /nfs/dbraw/zinc/16/32/78/535163278.db2.gz XTHYUULXLPWKFW-INIZCTEOSA-N 2 0 290.451 2.615 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459726704 535269389 /nfs/dbraw/zinc/26/93/89/535269389.db2.gz GPINZUREYLFRPJ-JYJNAYRXSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459399857 535706409 /nfs/dbraw/zinc/70/64/09/535706409.db2.gz BCHSMXVEEWVDLC-GTPINHCMSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccncc1 ZINC000453088725 535803641 /nfs/dbraw/zinc/80/36/41/535803641.db2.gz OTONAHMZCNCVTE-MRXNPFEDSA-N 2 0 261.413 2.998 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000453086648 535911930 /nfs/dbraw/zinc/91/19/30/535911930.db2.gz PCPZCKDKPJLVDB-CJNGLKHVSA-N 2 0 259.397 2.607 20 0 CFADRP CC[C@@]1(C)CC[NH+](CC(O)C[N@H+]2CC[C@](C)(CC)C2)C1 ZINC000447302321 536047955 /nfs/dbraw/zinc/04/79/55/536047955.db2.gz PEROXQUPSBQLGX-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2=CCCCC2)CC1 ZINC000450393958 536358823 /nfs/dbraw/zinc/35/88/23/536358823.db2.gz RABGWERTXCICEL-SFHVURJKSA-N 2 0 291.483 2.589 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000435368615 536519452 /nfs/dbraw/zinc/51/94/52/536519452.db2.gz BTCKWAYQOBZWJL-GUTXKFCHSA-N 2 0 294.414 2.682 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000435368618 536519683 /nfs/dbraw/zinc/51/96/83/536519683.db2.gz BTCKWAYQOBZWJL-YDHLFZDLSA-N 2 0 294.414 2.682 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000268864752 536676366 /nfs/dbraw/zinc/67/63/66/536676366.db2.gz CKVXQYMFPMUGSI-CABCVRRESA-N 2 0 294.439 2.703 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252513126 536780636 /nfs/dbraw/zinc/78/06/36/536780636.db2.gz KUTBBSIJMBOVDY-SJORKVTESA-N 2 0 274.408 2.549 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388794939 545578385 /nfs/dbraw/zinc/57/83/85/545578385.db2.gz OOMNQXVRTOSUPE-INWMFGNUSA-N 2 0 262.372 2.948 20 0 CFADRP C[C@H]([NH2+]CCCCCCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754463170 574096892 /nfs/dbraw/zinc/09/68/92/574096892.db2.gz FNSQEOZQNNSTQM-JKSUJKDBSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000746675566 574162197 /nfs/dbraw/zinc/16/21/97/574162197.db2.gz MYWDENHCNVCYNH-HNNXBMFYSA-N 2 0 296.480 2.723 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCN1CCC[C@@H]1C)C2 ZINC000756037808 574205665 /nfs/dbraw/zinc/20/56/65/574205665.db2.gz UWHBRPBVDRDIEN-HOCLYGCPSA-N 2 0 288.435 2.626 20 0 CFADRP CCCC[C@@H](CC)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415112261 574207901 /nfs/dbraw/zinc/20/79/01/574207901.db2.gz RWUVFPDAMXSTAD-HUUCEWRRSA-N 2 0 256.434 2.643 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1OCC(C)C ZINC000729682435 574227877 /nfs/dbraw/zinc/22/78/77/574227877.db2.gz RBLUDLDBNRDMGJ-HNNXBMFYSA-N 2 0 292.423 2.524 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccoc2)cc1 ZINC000729685517 574228483 /nfs/dbraw/zinc/22/84/83/574228483.db2.gz FXZFOCFSVDQOQG-UHFFFAOYSA-N 2 0 288.391 2.552 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000742368718 574325114 /nfs/dbraw/zinc/32/51/14/574325114.db2.gz GBDTWKLKNQFBSW-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000396436961 574354871 /nfs/dbraw/zinc/35/48/71/574354871.db2.gz HCNDMKCTUXGZQL-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902394083 621063924 /nfs/dbraw/zinc/06/39/24/621063924.db2.gz VRHTWIQCBRQUSC-ZDUSSCGKSA-N 2 0 270.486 2.888 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051694042 618049154 /nfs/dbraw/zinc/04/91/54/618049154.db2.gz BHHKQMORXMSKSU-UHFFFAOYSA-N 2 0 262.397 2.833 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414908169 617610670 /nfs/dbraw/zinc/61/06/70/617610670.db2.gz BCKRQIUBDAKVKC-QWRGUYRKSA-N 2 0 253.415 2.626 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000285941781 617613502 /nfs/dbraw/zinc/61/35/02/617613502.db2.gz FSNGBWSHYHDXDE-OAHLLOKOSA-N 2 0 298.434 2.973 20 0 CFADRP CCC(CC)[C@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCC1 ZINC000066242774 617680910 /nfs/dbraw/zinc/68/09/10/617680910.db2.gz ZFVNAWQOPGZVLG-INIZCTEOSA-N 2 0 294.487 2.944 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCCCC[NH3+] ZINC000843342404 617704910 /nfs/dbraw/zinc/70/49/10/617704910.db2.gz QDJJMPWYMIMEML-CQSZACIVSA-N 2 0 280.387 2.930 20 0 CFADRP CCCN(Cc1cccc(Cl)n1)C1CC[NH2+]CC1 ZINC000092366670 617821352 /nfs/dbraw/zinc/82/13/52/617821352.db2.gz OVIYWIDYGKRBDR-UHFFFAOYSA-N 2 0 267.804 2.699 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSC(F)(F)F)[C@H](C)C1 ZINC000178418050 617828626 /nfs/dbraw/zinc/82/86/26/617828626.db2.gz HFOCAQPYOQMVFY-ZJUUUORDSA-N 2 0 270.364 2.559 20 0 CFADRP Cc1cc(N)nc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000891963594 617881387 /nfs/dbraw/zinc/88/13/87/617881387.db2.gz KCPFSRUKNGRURQ-UKRRQHHQSA-N 2 0 297.406 2.615 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926326617 617902803 /nfs/dbraw/zinc/90/28/03/617902803.db2.gz RYYYTVVCTMRLTP-DOTOQJQBSA-N 2 0 290.451 2.505 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000891995310 617906950 /nfs/dbraw/zinc/90/69/50/617906950.db2.gz JEMOKCBFGGPTDS-OAHLLOKOSA-N 2 0 276.399 2.957 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000892022491 617915550 /nfs/dbraw/zinc/91/55/50/617915550.db2.gz ZKPUWMIJEAVADA-GOSISDBHSA-N 2 0 288.435 2.576 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3cccc(F)c3C2)CC1 ZINC000892055407 617930351 /nfs/dbraw/zinc/93/03/51/617930351.db2.gz RQRMSYKGJLSIDW-UHFFFAOYSA-N 2 0 262.372 2.526 20 0 CFADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000892101464 617949753 /nfs/dbraw/zinc/94/97/53/617949753.db2.gz MRJBDKSLRAISAD-BBWFWOEESA-N 2 0 294.483 2.854 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)CC1 ZINC000892132939 617966432 /nfs/dbraw/zinc/96/64/32/617966432.db2.gz CFNHHBXSXBNHJM-MRXNPFEDSA-N 2 0 262.372 2.914 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2nccc3c2CCCC3)C1 ZINC000892144671 617973447 /nfs/dbraw/zinc/97/34/47/617973447.db2.gz OCGJQGJTOKMFJH-OAHLLOKOSA-N 2 0 287.451 2.734 20 0 CFADRP CC(C)CCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000892233717 618017933 /nfs/dbraw/zinc/01/79/33/618017933.db2.gz JBGBCAMNEMOKCN-YESZJQIVSA-N 2 0 282.472 2.996 20 0 CFADRP CCCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000051693150 618050152 /nfs/dbraw/zinc/05/01/52/618050152.db2.gz BHYVCSKSPAGVAI-UHFFFAOYSA-N 2 0 262.397 2.835 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780287648 618089450 /nfs/dbraw/zinc/08/94/50/618089450.db2.gz SJTVYUSKLPCCOF-ZBFHGGJFSA-N 2 0 258.409 2.600 20 0 CFADRP CC(C)[N@H+](CCCCCC[NH3+])CCc1nccs1 ZINC000846221052 618098104 /nfs/dbraw/zinc/09/81/04/618098104.db2.gz RJADJWXGWACTGK-UHFFFAOYSA-N 2 0 269.458 2.915 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc(F)c1 ZINC000051919418 618104884 /nfs/dbraw/zinc/10/48/84/618104884.db2.gz NQDQFMGALLZJHW-CYBMUJFWSA-N 2 0 250.361 2.647 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926119580 618125687 /nfs/dbraw/zinc/12/56/87/618125687.db2.gz MPESUTQBVFVJIR-HWMZRRJGSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](CCCn3ccnc3)C2)n1 ZINC000933124678 618160238 /nfs/dbraw/zinc/16/02/38/618160238.db2.gz BEUVKLNZCMUFNN-AWEZNQCLSA-N 2 0 290.436 2.603 20 0 CFADRP COc1ccccc1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261575608 618166249 /nfs/dbraw/zinc/16/62/49/618166249.db2.gz ZEIZEJSIXQIHSP-ZIAGYGMSSA-N 2 0 262.397 2.515 20 0 CFADRP C[N@H+](Cc1ccc(OC(F)F)cc1)C1CCC([NH3+])CC1 ZINC000091843832 618201986 /nfs/dbraw/zinc/20/19/86/618201986.db2.gz HIXLTOZHAQKMMM-UHFFFAOYSA-N 2 0 284.350 2.990 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000091846388 618203219 /nfs/dbraw/zinc/20/32/19/618203219.db2.gz KUHPWDAGUQBEHF-UHFFFAOYSA-N 2 0 282.815 2.921 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000308393751 618207511 /nfs/dbraw/zinc/20/75/11/618207511.db2.gz NAVRZKAZUGOTHX-HOTGVXAUSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C12CCC2 ZINC000308402711 618211172 /nfs/dbraw/zinc/21/11/72/618211172.db2.gz YHGVCMCQEFNPFY-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1(Br)CC1 ZINC000926572864 618217022 /nfs/dbraw/zinc/21/70/22/618217022.db2.gz HJMGXJKNPGJHNE-NEPJUHHUSA-N 2 0 289.261 2.624 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1=CCCC1 ZINC000308753807 618220158 /nfs/dbraw/zinc/22/01/58/618220158.db2.gz HJEXBXJWBCHEBZ-RHMLRGBNSA-N 2 0 260.425 2.709 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc2c1OCO2 ZINC000926606416 618230527 /nfs/dbraw/zinc/23/05/27/618230527.db2.gz KDYLUGYDUYCJEN-IYXRBSQSSA-N 2 0 290.407 2.939 20 0 CFADRP Nc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c[nH+]1 ZINC000892409892 618231522 /nfs/dbraw/zinc/23/15/22/618231522.db2.gz NACGPUDYASFHJW-GFCCVEGCSA-N 2 0 294.830 2.772 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000924524516 618233934 /nfs/dbraw/zinc/23/39/34/618233934.db2.gz CLDKLXTZPBXQPE-JKSUJKDBSA-N 2 0 270.461 2.639 20 0 CFADRP C[C@H](N)[C@H]([NH2+]CCCc1nccs1)c1ccccc1 ZINC000925568086 618249601 /nfs/dbraw/zinc/24/96/01/618249601.db2.gz IOUXFTMULLXTEG-WFASDCNBSA-N 2 0 275.421 2.754 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925587393 618272277 /nfs/dbraw/zinc/27/22/77/618272277.db2.gz YNLGLJNKJPMNQH-JKSUJKDBSA-N 2 0 274.408 2.542 20 0 CFADRP C[NH+](C)C[C@H]1CCN(Cc2ccccc2OCC(F)F)C1 ZINC000894021389 618272814 /nfs/dbraw/zinc/27/28/14/618272814.db2.gz RKEXAMWOQGCFOC-CYBMUJFWSA-N 2 0 298.377 2.714 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCSC(C)(C)C)CC1 ZINC000310286296 618276681 /nfs/dbraw/zinc/27/66/81/618276681.db2.gz GOIBNMLAVRDLKF-UHFFFAOYSA-N 2 0 258.475 2.982 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000893304362 618287571 /nfs/dbraw/zinc/28/75/71/618287571.db2.gz MKTZMAYRWRYMGZ-MRXNPFEDSA-N 2 0 256.393 2.568 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)Oc1ccccc1 ZINC000925604391 618292362 /nfs/dbraw/zinc/29/23/62/618292362.db2.gz YCGYNCCRYWXUKA-QLFBSQMISA-N 2 0 276.424 2.950 20 0 CFADRP CC(C)[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000925604858 618292868 /nfs/dbraw/zinc/29/28/68/618292868.db2.gz AVCCRWQWVYSMPM-SZMVWBNQSA-N 2 0 289.467 2.785 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925605053 618293059 /nfs/dbraw/zinc/29/30/59/618293059.db2.gz DBMVGOJTSIIXRN-DDTOSNHZSA-N 2 0 279.428 2.891 20 0 CFADRP COC1CCC(C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000892461607 618298955 /nfs/dbraw/zinc/29/89/55/618298955.db2.gz ISEAQHBAVFOHLE-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)c1nnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000894066409 618302655 /nfs/dbraw/zinc/30/26/55/618302655.db2.gz AQWOKAPHDGFVDY-UHFFFAOYSA-N 2 0 294.468 2.626 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000894074551 618311845 /nfs/dbraw/zinc/31/18/45/618311845.db2.gz SFZAOXYTKKCIEN-QGZVFWFLSA-N 2 0 290.451 2.678 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@H]2CCSC2)c2ccccn2)CC1 ZINC000895113700 618314055 /nfs/dbraw/zinc/31/40/55/618314055.db2.gz XOWSXZUPQWOMQU-RBSFLKMASA-N 2 0 291.464 2.911 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)C12CCC2 ZINC000925614538 618314321 /nfs/dbraw/zinc/31/43/21/618314321.db2.gz CEVZFEBEGKKEFK-JKSUJKDBSA-N 2 0 270.420 2.869 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000925613914 618315027 /nfs/dbraw/zinc/31/50/27/618315027.db2.gz UZKQYCCUXIKQLP-YQQAZPJKSA-N 2 0 275.440 2.539 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)OC ZINC000925614596 618315106 /nfs/dbraw/zinc/31/51/06/618315106.db2.gz CYKDJKSRCFNDQO-KGLIPLIRSA-N 2 0 256.434 2.558 20 0 CFADRP Cc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000067453044 618323188 /nfs/dbraw/zinc/32/31/88/618323188.db2.gz HMNFVLMWJZOWSZ-IAGOWNOFSA-N 2 0 290.451 2.974 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCNc1ccccn1)c1ccccc1 ZINC000925620777 618335940 /nfs/dbraw/zinc/33/59/40/618335940.db2.gz BCCKBZWIVHTAII-MRXNPFEDSA-N 2 0 284.407 2.563 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000261705723 618339944 /nfs/dbraw/zinc/33/99/44/618339944.db2.gz IWRDSUONJUUDJK-SUNKGSAMSA-N 2 0 284.350 2.937 20 0 CFADRP C[C@H]1CCCN1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925622010 618340217 /nfs/dbraw/zinc/34/02/17/618340217.db2.gz IEBYSIZDGHTWBK-DOTOQJQBSA-N 3 0 275.440 2.541 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccnc(OC)c1F ZINC000893321842 618341576 /nfs/dbraw/zinc/34/15/76/618341576.db2.gz HSUFIKXUYUMNDH-CYBMUJFWSA-N 2 0 297.418 2.829 20 0 CFADRP CCn1cc(C[NH2+][C@H](C)CCC[NH+](CC)CC)c(C)n1 ZINC000893321387 618341694 /nfs/dbraw/zinc/34/16/94/618341694.db2.gz BPPOXNXNTYEPTE-CQSZACIVSA-N 2 0 280.460 2.812 20 0 CFADRP Fc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262139581 618343132 /nfs/dbraw/zinc/34/31/32/618343132.db2.gz YZJDJWMPSOLHTB-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925624503 618345049 /nfs/dbraw/zinc/34/50/49/618345049.db2.gz YOHFEESUFGPABR-QLFBSQMISA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C[C@@H](C)O1 ZINC000925629885 618356953 /nfs/dbraw/zinc/35/69/53/618356953.db2.gz MHDIGIIKJMRQKN-UTJXIGIESA-N 2 0 280.456 2.700 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000895136798 618365639 /nfs/dbraw/zinc/36/56/39/618365639.db2.gz KFHQHABRZUYXOG-QWHCGFSZSA-N 2 0 291.277 2.727 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925636515 618371825 /nfs/dbraw/zinc/37/18/25/618371825.db2.gz TTZVPONPDJTRND-ULQDDVLXSA-N 2 0 294.483 2.541 20 0 CFADRP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261729346 618389103 /nfs/dbraw/zinc/38/91/03/618389103.db2.gz HAXZEUVJEBOUHH-NVXWUHKLSA-N 2 0 260.425 2.857 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925647680 618395644 /nfs/dbraw/zinc/39/56/44/618395644.db2.gz FKNJYKFZZNRGTH-RUZUBIRVSA-N 2 0 293.480 2.921 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000042437359 620802702 /nfs/dbraw/zinc/80/27/02/620802702.db2.gz DEWNVFKAMBIMPG-ZDUSSCGKSA-N 2 0 252.789 2.771 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000925665103 618429860 /nfs/dbraw/zinc/42/98/60/618429860.db2.gz ILDZWOWHKJWHLF-BZUAXINKSA-N 2 0 288.435 2.876 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894181005 618430428 /nfs/dbraw/zinc/43/04/28/618430428.db2.gz NLCBRDLLKGSCJA-BZUAXINKSA-N 2 0 282.472 2.759 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925668456 618434917 /nfs/dbraw/zinc/43/49/17/618434917.db2.gz HSGQCYUGQCBZST-KKUMJFAQSA-N 2 0 269.477 2.602 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894199651 618439384 /nfs/dbraw/zinc/43/93/84/618439384.db2.gz BEKJAAOTWWRADL-HNNXBMFYSA-N 2 0 287.451 2.866 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C[C@@H]([NH3+])C1 ZINC000925669812 618441018 /nfs/dbraw/zinc/44/10/18/618441018.db2.gz FJXRGFKGDSVAPB-ZJUUUORDSA-N 2 0 264.335 2.825 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925674883 618445629 /nfs/dbraw/zinc/44/56/29/618445629.db2.gz DUVUJRRHBVWUNL-RBSFLKMASA-N 2 0 269.477 2.602 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925677935 618455110 /nfs/dbraw/zinc/45/51/10/618455110.db2.gz RIFJTLSFRNVJHC-YVSFHVDLSA-N 2 0 294.483 2.541 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C12CCC2 ZINC000925678186 618455873 /nfs/dbraw/zinc/45/58/73/618455873.db2.gz DBHFUFWKQQQAQX-UAGQMJEPSA-N 2 0 270.420 2.966 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C12CCC2 ZINC000925678569 618456082 /nfs/dbraw/zinc/45/60/82/618456082.db2.gz VWYUXGVMLDUROS-CAOSSQGBSA-N 2 0 256.393 2.650 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CSc2ccccc21 ZINC000925678193 618456334 /nfs/dbraw/zinc/45/63/34/618456334.db2.gz DBVJPDOHFNIDLO-XJIXJRLGSA-N 2 0 288.460 2.981 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925679679 618458800 /nfs/dbraw/zinc/45/88/00/618458800.db2.gz LGUITIOEUZEMEP-FQUUOJAGSA-N 2 0 256.434 2.543 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CC12CCOCC2)c1ccccc1 ZINC000925682414 618465842 /nfs/dbraw/zinc/46/58/42/618465842.db2.gz WPKHYZPQPCWIQV-IAGOWNOFSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000925685445 618479483 /nfs/dbraw/zinc/47/94/83/618479483.db2.gz NJMIJJSWRABDCA-HOCLYGCPSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H](CC[NH2+]Cc1cc2ccncc2s1)[NH+](C)C ZINC000895292128 618513388 /nfs/dbraw/zinc/51/33/88/618513388.db2.gz MFKFMMSAFDPWML-NSHDSACASA-N 2 0 263.410 2.726 20 0 CFADRP C[C@@H](C[NH2+]CC[C@H](C)[NH+](C)C)c1ccc(F)cc1 ZINC000895292457 618514910 /nfs/dbraw/zinc/51/49/10/618514910.db2.gz BYBJZRLIYDNGAV-STQMWFEESA-N 2 0 252.377 2.859 20 0 CFADRP C[C@H](CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[NH+](C)C ZINC000895296283 618517845 /nfs/dbraw/zinc/51/78/45/618517845.db2.gz FGXKMBDOZVCESG-JFIYKMOQSA-N 2 0 295.515 2.959 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(c3ccco3)CC2)CC1 ZINC000895321512 618532585 /nfs/dbraw/zinc/53/25/85/618532585.db2.gz RJILQSNYEYHIFN-UHFFFAOYSA-N 2 0 262.397 2.801 20 0 CFADRP C[NH+](C)CC[C@@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000895325263 618534077 /nfs/dbraw/zinc/53/40/77/618534077.db2.gz OOTGSOMZWIAPPB-LLVKDONJSA-N 2 0 287.329 2.878 20 0 CFADRP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895376785 618556074 /nfs/dbraw/zinc/55/60/74/618556074.db2.gz JSIJIRCRHKLKJP-RHSMWYFYSA-N 2 0 275.440 2.942 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000895392446 618563377 /nfs/dbraw/zinc/56/33/77/618563377.db2.gz PZIYSWGTYHQSEZ-HNNXBMFYSA-N 2 0 287.451 2.866 20 0 CFADRP Cc1n[nH]c(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1C ZINC000895466167 618600868 /nfs/dbraw/zinc/60/08/68/618600868.db2.gz DZDWIELXPWUVJS-UHFFFAOYSA-N 2 0 292.471 2.826 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000892517455 618605325 /nfs/dbraw/zinc/60/53/25/618605325.db2.gz KSRHZZWRSZSJDV-UHFFFAOYSA-N 2 0 270.367 2.827 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000924572474 618620869 /nfs/dbraw/zinc/62/08/69/618620869.db2.gz KRHNLDDREDLVHY-ZIAGYGMSSA-N 2 0 277.412 2.702 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000892585196 618643261 /nfs/dbraw/zinc/64/32/61/618643261.db2.gz RBGXVKCFMNLVMM-CQSZACIVSA-N 2 0 280.412 2.890 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000070189927 625280455 /nfs/dbraw/zinc/28/04/55/625280455.db2.gz JFGHENOVELEONI-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924578073 618651136 /nfs/dbraw/zinc/65/11/36/618651136.db2.gz OXKUHMKYVVAJCX-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)nc3c2CCCC3)C1 ZINC000892614718 618655195 /nfs/dbraw/zinc/65/51/95/618655195.db2.gz SDZOOJTXVHCWEA-HNNXBMFYSA-N 2 0 287.451 2.700 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926771631 618658617 /nfs/dbraw/zinc/65/86/17/618658617.db2.gz HDLWCFNEDTWUNY-RCBQFDQVSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000924580033 618660628 /nfs/dbraw/zinc/66/06/28/618660628.db2.gz OVMPOCLYAWJXNM-HZPDHXFCSA-N 2 0 290.451 2.769 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCOCCc2ccccc2)CC1 ZINC000892631038 618663585 /nfs/dbraw/zinc/66/35/85/618663585.db2.gz FMMPBVRFLGJGGF-UHFFFAOYSA-N 2 0 290.451 2.567 20 0 CFADRP Cc1nc(CNC[C@H](C)C[NH+]2CCCCC2)sc1C ZINC000892633474 618665031 /nfs/dbraw/zinc/66/50/31/618665031.db2.gz WCZBZFPHTHHRNZ-LBPRGKRZSA-N 2 0 281.469 2.972 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892661879 618681207 /nfs/dbraw/zinc/68/12/07/618681207.db2.gz DGSYWTARSWQSIC-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892668491 618686979 /nfs/dbraw/zinc/68/69/79/618686979.db2.gz MQFHDYLIXRMJJM-CQSZACIVSA-N 2 0 282.378 2.829 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000924605463 618747787 /nfs/dbraw/zinc/74/77/87/618747787.db2.gz GLHKLULSCCLKDA-ZWKOTPCHSA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccc(C2([NH2+]CC3CC[NH+](C)CC3)CC2)cc1 ZINC000892878149 618762309 /nfs/dbraw/zinc/76/23/09/618762309.db2.gz UBIUGYFXLAIFES-UHFFFAOYSA-N 2 0 274.408 2.616 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(OCC)o2)CC1 ZINC000892935682 618773161 /nfs/dbraw/zinc/77/31/61/618773161.db2.gz ABIZKGDSHLRKDM-UHFFFAOYSA-N 2 0 280.412 2.890 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000892946875 618778345 /nfs/dbraw/zinc/77/83/45/618778345.db2.gz RFLQJZVFRPYUSR-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP COc1cccc(C2([NH2+]CC3CC[NH+](C)CC3)CC2)c1 ZINC000893109153 618835012 /nfs/dbraw/zinc/83/50/12/618835012.db2.gz YHZKZSYGEAPZSH-UHFFFAOYSA-N 2 0 274.408 2.616 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000925507752 618837058 /nfs/dbraw/zinc/83/70/58/618837058.db2.gz XGJVVXNGIFIBIM-STQMWFEESA-N 2 0 250.361 2.821 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925509102 618842899 /nfs/dbraw/zinc/84/28/99/618842899.db2.gz LIDPMWNAZPVMCG-IRXDYDNUSA-N 2 0 275.440 2.541 20 0 CFADRP CC[NH+]1CCC(CCN[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925515986 618855675 /nfs/dbraw/zinc/85/56/75/618855675.db2.gz KKHSBBSIXOXSOO-CRAIPNDOSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000925519312 618857672 /nfs/dbraw/zinc/85/76/72/618857672.db2.gz MAMLLNNIUQMCSH-ZBFHGGJFSA-N 2 0 275.440 2.539 20 0 CFADRP CCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925525346 618868950 /nfs/dbraw/zinc/86/89/50/618868950.db2.gz BUOSHQMDWRAGIZ-SJORKVTESA-N 2 0 294.483 2.951 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925526263 618871655 /nfs/dbraw/zinc/87/16/55/618871655.db2.gz MITBFLLGWSMUOU-ROUUACIJSA-N 2 0 293.499 2.620 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)nc21 ZINC000925526682 618872746 /nfs/dbraw/zinc/87/27/46/618872746.db2.gz JYGYGBRNTZCAPZ-KGLIPLIRSA-N 2 0 285.391 2.538 20 0 CFADRP CC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1F ZINC000925529539 618881565 /nfs/dbraw/zinc/88/15/65/618881565.db2.gz FHFSFLDCKNUDID-WQVCFCJDSA-N 2 0 292.398 2.843 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925532887 618886146 /nfs/dbraw/zinc/88/61/46/618886146.db2.gz YJKNBYLFJCBOKJ-REWJHTLYSA-N 2 0 268.470 2.910 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000930613254 618890390 /nfs/dbraw/zinc/89/03/90/618890390.db2.gz DVAPBBSACPIWBA-JCYILVPMSA-N 2 0 294.483 2.638 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925544126 618904125 /nfs/dbraw/zinc/90/41/25/618904125.db2.gz YNOWLGJJPNKQHQ-YUELXQCFSA-N 2 0 261.413 2.508 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925551576 618912536 /nfs/dbraw/zinc/91/25/36/618912536.db2.gz HXFOBZCYEIEDOY-UKTARXLSSA-N 2 0 268.470 2.638 20 0 CFADRP CCN(CC[NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925556619 618921328 /nfs/dbraw/zinc/92/13/28/618921328.db2.gz KZDPWNXLPROKJN-KRWDZBQOSA-N 2 0 277.456 2.787 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H]1CCC=CO1)C(C)(C)C ZINC000194441365 618935656 /nfs/dbraw/zinc/93/56/56/618935656.db2.gz RYNYQEVSYSGXSH-ZIAGYGMSSA-N 2 0 254.418 2.635 20 0 CFADRP COC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925691721 618936760 /nfs/dbraw/zinc/93/67/60/618936760.db2.gz IYUHTDGMXWPUPP-BHUNQDJPSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1(Cl)Cl ZINC000925695100 618943110 /nfs/dbraw/zinc/94/31/10/618943110.db2.gz WUMGSNXHGZRVLB-KOLCDFICSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925695454 618945332 /nfs/dbraw/zinc/94/53/32/618945332.db2.gz RINFDAKLPXEOKJ-KBMXLJTQSA-N 2 0 273.424 2.652 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925702595 618956033 /nfs/dbraw/zinc/95/60/33/618956033.db2.gz OSACMYJNDUHFBM-WDEREUQCSA-N 2 0 277.239 2.835 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000925706798 618960984 /nfs/dbraw/zinc/96/09/84/618960984.db2.gz GPMRQWZTPCBDQL-INIZCTEOSA-N 2 0 258.365 2.892 20 0 CFADRP COC1CC(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925711180 618965314 /nfs/dbraw/zinc/96/53/14/618965314.db2.gz DREGQFOZPHXLMT-BDVYOWHSSA-N 2 0 276.424 2.871 20 0 CFADRP C1[C@H]2CC[C@@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C[C@@H]12 ZINC000925712972 618967677 /nfs/dbraw/zinc/96/76/77/618967677.db2.gz QRUCMSKGCLTSLC-MTSZKFMLSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@@]1(F)Cl ZINC000925713835 618967997 /nfs/dbraw/zinc/96/79/97/618967997.db2.gz UVYKJJOLBHJZGJ-NOHGZBONSA-N 2 0 260.784 2.551 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2noc3ccccc23)C1 ZINC000925714064 618968953 /nfs/dbraw/zinc/96/89/53/618968953.db2.gz NMNCYWJJBLZPMH-QWHCGFSZSA-N 2 0 287.407 2.866 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2CCCS2)C1 ZINC000925721907 618981451 /nfs/dbraw/zinc/98/14/51/618981451.db2.gz HYNJZARQJSDLCD-UPJWGTAASA-N 2 0 256.459 2.768 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2([C@H]3CCCCO3)CCC2)C1 ZINC000925730246 619030776 /nfs/dbraw/zinc/03/07/76/619030776.db2.gz VEYJNUHDBQFQJH-RBSFLKMASA-N 2 0 280.456 2.974 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000925735263 619044683 /nfs/dbraw/zinc/04/46/83/619044683.db2.gz YECJACJNVAOOPC-RYUDHWBXSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925736721 619046629 /nfs/dbraw/zinc/04/66/29/619046629.db2.gz NTYDHZWKAPJIBW-XQQFMLRXSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925736722 619046712 /nfs/dbraw/zinc/04/67/12/619046712.db2.gz NTYDHZWKAPJIBW-YNEHKIRRSA-N 2 0 260.372 2.790 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000925739837 619049451 /nfs/dbraw/zinc/04/94/51/619049451.db2.gz ABYXHEBTOFHMGY-LBPRGKRZSA-N 2 0 280.412 2.790 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC(C)(C)[NH3+])cnn1C(C)(C)C ZINC000925739565 619049895 /nfs/dbraw/zinc/04/98/95/619049895.db2.gz YWNUQJJLBHKXPD-NSHDSACASA-N 2 0 266.433 2.725 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925741447 619051078 /nfs/dbraw/zinc/05/10/78/619051078.db2.gz RCRGLMIGICNZLZ-LBPRGKRZSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000094010236 619072008 /nfs/dbraw/zinc/07/20/08/619072008.db2.gz NXEOGGKFCBHRQG-JTQLQIEISA-N 2 0 254.324 2.615 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000925767760 619078920 /nfs/dbraw/zinc/07/89/20/619078920.db2.gz HCMRVXZMRXUQLN-PIMMBPRGSA-N 2 0 290.407 2.768 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925773222 619089328 /nfs/dbraw/zinc/08/93/28/619089328.db2.gz AIKSRTOHUOJRGQ-RBSFLKMASA-N 2 0 266.429 2.585 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000317206452 619108058 /nfs/dbraw/zinc/10/80/58/619108058.db2.gz JCNLQWVUHJVMOD-CABCVRRESA-N 2 0 295.390 2.808 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925784665 619110013 /nfs/dbraw/zinc/11/00/13/619110013.db2.gz JYLACCHUJPJMKZ-UKPHBRMFSA-N 2 0 278.415 2.838 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094371271 619115456 /nfs/dbraw/zinc/11/54/56/619115456.db2.gz ZJUVPGITDJTBNF-JKSUJKDBSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnc2ccsc2c1 ZINC000925792769 619117573 /nfs/dbraw/zinc/11/75/73/619117573.db2.gz WEBUJAMSUQYCBZ-MDZLAQPJSA-N 2 0 275.421 2.802 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000925795044 619118505 /nfs/dbraw/zinc/11/85/05/619118505.db2.gz GFOPAKTVVANRHT-IOASZLSFSA-N 2 0 292.398 2.875 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C12CCCC2 ZINC000925797428 619119445 /nfs/dbraw/zinc/11/94/45/619119445.db2.gz NYRNBUJZPGINCT-WCVJEAGWSA-N 2 0 280.456 2.559 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C12CCCC2 ZINC000925797421 619119506 /nfs/dbraw/zinc/11/95/06/619119506.db2.gz NYRNBUJZPGINCT-FPCVCCKLSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925802901 619123108 /nfs/dbraw/zinc/12/31/08/619123108.db2.gz SWARBLOQSHSFNF-ZKXZWOTCSA-N 2 0 268.470 2.910 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc3ncccc3c2)C1 ZINC000925815760 619134404 /nfs/dbraw/zinc/13/44/04/619134404.db2.gz ZITVVVCRYSJACA-HOTGVXAUSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925825254 619146704 /nfs/dbraw/zinc/14/67/04/619146704.db2.gz CDELOVNXEYNRKU-KTFSGNIMSA-N 2 0 280.456 2.844 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925824949 619146761 /nfs/dbraw/zinc/14/67/61/619146761.db2.gz XECAMGCYNLCKPK-YZUHTNEWSA-N 3 0 291.483 2.643 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893686090 619156658 /nfs/dbraw/zinc/15/66/58/619156658.db2.gz WFVRKTYUQLYWIP-VEDBGLOESA-N 2 0 280.456 2.795 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000250154458 619158561 /nfs/dbraw/zinc/15/85/61/619158561.db2.gz CEGPSJDYZHWWLI-MGPQQGTHSA-N 2 0 250.411 2.758 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000925831079 619162129 /nfs/dbraw/zinc/16/21/29/619162129.db2.gz CDBSXJNDUREQRJ-IRXDYDNUSA-N 2 0 284.403 2.860 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925833875 619165004 /nfs/dbraw/zinc/16/50/04/619165004.db2.gz LDJZZBZOHWCYHT-WOPDTQHZSA-N 2 0 282.350 2.594 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000925834358 619165921 /nfs/dbraw/zinc/16/59/21/619165921.db2.gz WAGSHUVGTKMUCF-OLZOCXBDSA-N 2 0 262.397 2.617 20 0 CFADRP CC[C@H](C)[N@H+](C)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261574759 619171853 /nfs/dbraw/zinc/17/18/53/619171853.db2.gz XQSWHWGQVQBTQX-PMPSAXMXSA-N 2 0 269.477 2.617 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000925839612 619172487 /nfs/dbraw/zinc/17/24/87/619172487.db2.gz RZAIGZIAISVUDY-LSDHHAIUSA-N 2 0 287.407 2.928 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925839630 619173014 /nfs/dbraw/zinc/17/30/14/619173014.db2.gz SDGOVJZDLRSBNF-GBJTYRQASA-N 2 0 280.362 2.752 20 0 CFADRP C(CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1)CCN1CC[NH2+]CC1 ZINC000925842800 619175490 /nfs/dbraw/zinc/17/54/90/619175490.db2.gz BDAMTWHUZCASHT-MSOLQXFVSA-N 2 0 293.499 2.620 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000925843063 619175571 /nfs/dbraw/zinc/17/55/71/619175571.db2.gz YWGPJMOXMDERQG-UONOGXRCSA-N 2 0 273.380 2.538 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846835 619179828 /nfs/dbraw/zinc/17/98/28/619179828.db2.gz RAMWHIMUPDMEPD-UXIGCNINSA-N 2 0 280.437 2.940 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925856384 619185880 /nfs/dbraw/zinc/18/58/80/619185880.db2.gz FMERNRSXDNADBU-SAGYGOJTSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000925860747 619187129 /nfs/dbraw/zinc/18/71/29/619187129.db2.gz KQZOTSHTODTGMG-OCVGTWLNSA-N 2 0 278.465 2.819 20 0 CFADRP CCC[C@H](O)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925859818 619187248 /nfs/dbraw/zinc/18/72/48/619187248.db2.gz SKBTUYTXBBJICB-HOTGVXAUSA-N 2 0 264.413 2.607 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000925862017 619188557 /nfs/dbraw/zinc/18/85/57/619188557.db2.gz VUMFMVVGGNHCKZ-FHERZECASA-N 3 0 267.461 2.501 20 0 CFADRP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCCCC[C@H]3[NH3+])C2)n1 ZINC000925873688 619194855 /nfs/dbraw/zinc/19/48/55/619194855.db2.gz RIPBTIZNEWXDNJ-XJFOESAGSA-N 2 0 292.427 2.518 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000925875825 619196578 /nfs/dbraw/zinc/19/65/78/619196578.db2.gz WPBQSQBTGUSEKX-YNEHKIRRSA-N 2 0 280.362 2.751 20 0 CFADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000261664758 619196586 /nfs/dbraw/zinc/19/65/86/619196586.db2.gz AFHVRIJZQLDBHD-ZIAGYGMSSA-N 2 0 289.423 2.594 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925877194 619196790 /nfs/dbraw/zinc/19/67/90/619196790.db2.gz NWVRIZOXHVHGDT-NFAWXSAZSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880311 619200336 /nfs/dbraw/zinc/20/03/36/619200336.db2.gz JBTTXBHFDLAIGP-FHLIZLRMSA-N 2 0 288.435 2.668 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000925879719 619200483 /nfs/dbraw/zinc/20/04/83/619200483.db2.gz JAMXONPIEGGAJG-UGFHNGPFSA-N 2 0 282.815 2.745 20 0 CFADRP CC[C@H](NCc1ccc(OC)c(OC)c1C)[C@@H]1CCC[NH2+]1 ZINC000925879859 619200503 /nfs/dbraw/zinc/20/05/03/619200503.db2.gz FBXRIKDHEXHEHU-GJZGRUSLSA-N 2 0 292.423 2.632 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000925883069 619202792 /nfs/dbraw/zinc/20/27/92/619202792.db2.gz SZLRJSMTIROANO-BYCMXARLSA-N 2 0 250.361 2.994 20 0 CFADRP C[NH+](C)CCc1ccccc1NCC1CC[NH+](C)CC1 ZINC000893891285 619240716 /nfs/dbraw/zinc/24/07/16/619240716.db2.gz VSOXDYWDFBTZQH-UHFFFAOYSA-N 2 0 275.440 2.544 20 0 CFADRP CSc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000894218064 619268471 /nfs/dbraw/zinc/26/84/71/619268471.db2.gz GCTXHWHUXVOBLU-UHFFFAOYSA-N 2 0 278.465 2.882 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000894219326 619268918 /nfs/dbraw/zinc/26/89/18/619268918.db2.gz BEYXSRGLBWKHRB-GOSISDBHSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000924957638 619302643 /nfs/dbraw/zinc/30/26/43/619302643.db2.gz DGFJTSKNFKKNEX-WMLDXEAASA-N 2 0 287.451 2.636 20 0 CFADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cnnn1C ZINC000924959879 619303709 /nfs/dbraw/zinc/30/37/09/619303709.db2.gz XEIBKYQMDBQZLZ-OAHLLOKOSA-N 2 0 293.459 2.512 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924961442 619304627 /nfs/dbraw/zinc/30/46/27/619304627.db2.gz VUEBHFCOGMBJIL-NJAFHUGGSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1cccc2c1[C@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000924963880 619306562 /nfs/dbraw/zinc/30/65/62/619306562.db2.gz MXLRPWXDYAVFNK-MRXNPFEDSA-N 2 0 258.409 2.914 20 0 CFADRP CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924995063 619322926 /nfs/dbraw/zinc/32/29/26/619322926.db2.gz ZUTXURUFOORSPV-XJKSGUPXSA-N 2 0 264.413 2.560 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000925013237 619333171 /nfs/dbraw/zinc/33/31/71/619333171.db2.gz ZTJKOCQKLBIIBY-JFIYKMOQSA-N 2 0 287.451 2.724 20 0 CFADRP CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925045858 619355791 /nfs/dbraw/zinc/35/57/91/619355791.db2.gz YUHMIAPBUVYWBU-WMLDXEAASA-N 2 0 278.440 2.806 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000925046385 619356355 /nfs/dbraw/zinc/35/63/55/619356355.db2.gz PTCQNGBFNKAFPZ-XJKSGUPXSA-N 2 0 278.440 2.806 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn(C)cn1 ZINC000925048014 619357812 /nfs/dbraw/zinc/35/78/12/619357812.db2.gz CXTLGZDUYDNESD-HNNXBMFYSA-N 2 0 278.444 2.727 20 0 CFADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000261985371 619358367 /nfs/dbraw/zinc/35/83/67/619358367.db2.gz JTAIIYDDXFYPKD-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP Cc1nn(C(C)C)c(C)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000894457303 619390111 /nfs/dbraw/zinc/39/01/11/619390111.db2.gz XXVOEIVIZAAVOD-INIZCTEOSA-N 2 0 292.471 2.901 20 0 CFADRP CC(C)CCCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460084 619391986 /nfs/dbraw/zinc/39/19/86/619391986.db2.gz RYFGODJYXQGTDP-GOSISDBHSA-N 2 0 295.515 2.913 20 0 CFADRP CCN(CCC[NH+]1CCCC1)Cc1cn2ccnc2s1 ZINC000894472149 619392593 /nfs/dbraw/zinc/39/25/93/619392593.db2.gz PYMIBHBGKHLCHV-UHFFFAOYSA-N 2 0 292.452 2.704 20 0 CFADRP Cc1cc(F)ncc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894479205 619397412 /nfs/dbraw/zinc/39/74/12/619397412.db2.gz MDPNLYXGINCLLX-OAHLLOKOSA-N 2 0 291.414 2.693 20 0 CFADRP CC(C)c1nnc(C[NH2+]C(C)(C)CCC[NH+](C)C)s1 ZINC000894731771 619452413 /nfs/dbraw/zinc/45/24/13/619452413.db2.gz VXFSRKWSNZJKAJ-UHFFFAOYSA-N 2 0 284.473 2.872 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1ccc(Cl)cn1 ZINC000894776289 619460083 /nfs/dbraw/zinc/46/00/83/619460083.db2.gz GDZJQGNERHNCMJ-UHFFFAOYSA-N 2 0 255.793 2.509 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(Cl)cn2)C1 ZINC000894783796 619466612 /nfs/dbraw/zinc/46/66/12/619466612.db2.gz XUPTUNZRQOPXON-SWLSCSKDSA-N 2 0 279.815 2.651 20 0 CFADRP CCCSC[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894846934 619481232 /nfs/dbraw/zinc/48/12/32/619481232.db2.gz BCMXDVYTKLCIKI-GFCCVEGCSA-N 2 0 263.410 2.956 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000310955383 619509974 /nfs/dbraw/zinc/50/99/74/619509974.db2.gz SGTUAISHSNXEJA-GFCCVEGCSA-N 2 0 250.386 2.782 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)[nH]n1 ZINC000925104269 619537367 /nfs/dbraw/zinc/53/73/67/619537367.db2.gz SSTYJRDPSAPNOV-CYBMUJFWSA-N 2 0 272.396 2.631 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)OC ZINC000895671786 619583100 /nfs/dbraw/zinc/58/31/00/619583100.db2.gz OPBPKEMYMLYZKV-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1n[nH]c(C[N@H+](C)CCCC[NH+]2CCCCC2)c1C ZINC000895683613 619585887 /nfs/dbraw/zinc/58/58/87/619585887.db2.gz OSCKMVNHJFFVLV-UHFFFAOYSA-N 2 0 278.444 2.724 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000895704715 619587013 /nfs/dbraw/zinc/58/70/13/619587013.db2.gz OMCSFJXLABDYAB-ROUUACIJSA-N 2 0 288.435 2.526 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@]2(O)CCCC(C)(C)CC2)CC1 ZINC000895699310 619588383 /nfs/dbraw/zinc/58/83/83/619588383.db2.gz LOIOQJCPNKFMRJ-KRWDZBQOSA-N 2 0 282.472 2.639 20 0 CFADRP COc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)o1 ZINC000895820920 619614833 /nfs/dbraw/zinc/61/48/33/619614833.db2.gz BZGBAVQBLLXCPO-UHFFFAOYSA-N 2 0 266.385 2.641 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CC2(SC)CC2)CC1 ZINC000895821720 619615001 /nfs/dbraw/zinc/61/50/01/619615001.db2.gz IEFZMIPZADCKHZ-UHFFFAOYSA-N 2 0 268.470 2.832 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC(CC)([NH+]2CCC2)CC1)OC ZINC000895823152 619615281 /nfs/dbraw/zinc/61/52/81/619615281.db2.gz UOVLGQNTUFHMGO-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)CC1 ZINC000895939680 619640063 /nfs/dbraw/zinc/64/00/63/619640063.db2.gz ZJAXYNQWLQCRBQ-LJQANCHMSA-N 2 0 284.447 2.918 20 0 CFADRP C[N@H+](CCC[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000054243240 619862473 /nfs/dbraw/zinc/86/24/73/619862473.db2.gz QHBGEPFUDCNVIX-UHFFFAOYSA-N 3 0 281.488 2.572 20 0 CFADRP C[NH+]1CCC2(CCN2c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000897132447 619937505 /nfs/dbraw/zinc/93/75/05/619937505.db2.gz PPEMLBGYYDXXOT-UHFFFAOYSA-N 2 0 285.313 2.775 20 0 CFADRP C[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(C[NH+](C)C)c1 ZINC000925210762 620024929 /nfs/dbraw/zinc/02/49/29/620024929.db2.gz GVDINCGTKZCZTG-AWEZNQCLSA-N 2 0 271.408 2.938 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000925220103 620031417 /nfs/dbraw/zinc/03/14/17/620031417.db2.gz HYICGGRSIRPZHR-LVQVYYBASA-N 2 0 270.461 2.779 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925222326 620036314 /nfs/dbraw/zinc/03/63/14/620036314.db2.gz RNIKNBKWUKSVBO-HCEZTOJASA-N 2 0 280.456 2.797 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000262709251 620059122 /nfs/dbraw/zinc/05/91/22/620059122.db2.gz OTMWPCRFHGOGSF-WMLDXEAASA-N 2 0 297.487 2.521 20 0 CFADRP COC(C)(C)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925270449 620164332 /nfs/dbraw/zinc/16/43/32/620164332.db2.gz NYEZXSDMAJIFGM-CYBMUJFWSA-N 2 0 264.413 2.824 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)[C@H](C)C1 ZINC000897475724 620182023 /nfs/dbraw/zinc/18/20/23/620182023.db2.gz AZMIUCLTEVMSAO-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841031837 620258434 /nfs/dbraw/zinc/25/84/34/620258434.db2.gz YSXZINYZVGZFNS-WMZOPIPTSA-N 2 0 293.499 2.748 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCS1 ZINC000897796923 620286685 /nfs/dbraw/zinc/28/66/85/620286685.db2.gz AQGSZGFINVZDBZ-MCIONIFRSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000897849643 620293880 /nfs/dbraw/zinc/29/38/80/620293880.db2.gz YGCLRJGAOWIAAT-WDZAUCIISA-N 2 0 292.467 2.533 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898111549 620335318 /nfs/dbraw/zinc/33/53/18/620335318.db2.gz KIRSYLNOEOCESB-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898112053 620335547 /nfs/dbraw/zinc/33/55/47/620335547.db2.gz OPZLOJIUWXXBKA-OAHLLOKOSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000898306576 620369319 /nfs/dbraw/zinc/36/93/19/620369319.db2.gz MNDLFLBVDIBNLL-UHFFFAOYSA-N 2 0 274.412 2.583 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873222234 620435683 /nfs/dbraw/zinc/43/56/83/620435683.db2.gz HUKGGTPWYXLEJM-MAZHCROVSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873274067 620442460 /nfs/dbraw/zinc/44/24/60/620442460.db2.gz RLAFQJATBRFRDO-NNYUYHANSA-N 2 0 262.319 2.743 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H](C)C2)[C@@H](C)C1 ZINC000927034454 620444164 /nfs/dbraw/zinc/44/41/64/620444164.db2.gz WPJFNAJHTAJKME-FQUUOJAGSA-N 2 0 256.459 2.590 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000927035477 620444733 /nfs/dbraw/zinc/44/47/33/620444733.db2.gz ADEHJKWAMLBXGL-CGZBRXJRSA-N 2 0 292.467 2.942 20 0 CFADRP COc1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)on1 ZINC000927039666 620445241 /nfs/dbraw/zinc/44/52/41/620445241.db2.gz VKHAXUNEJPLXHU-FUJMWEONSA-N 2 0 293.411 2.741 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000924706813 620447720 /nfs/dbraw/zinc/44/77/20/620447720.db2.gz KAWIWBIIIPWWCM-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc(F)c2)[C@H](C)C1 ZINC000898444702 620466149 /nfs/dbraw/zinc/46/61/49/620466149.db2.gz KTWOJKABWKCOBV-PBHICJAKSA-N 2 0 294.414 2.915 20 0 CFADRP C[C@@H]1CCC[C@](C[NH2+]C2[C@H](C)COC[C@H]2C)(N(C)C)C1 ZINC000924737074 620486953 /nfs/dbraw/zinc/48/69/53/620486953.db2.gz DNOGUVLBEIITQA-ANQUJSFKSA-N 2 0 282.472 2.758 20 0 CFADRP C[NH+](C)CCOc1ccccc1-c1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC000899324800 620543898 /nfs/dbraw/zinc/54/38/98/620543898.db2.gz OMUFXAXLIXWJSB-KRWDZBQOSA-N 2 0 296.414 2.720 20 0 CFADRP CNc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000902302690 621027218 /nfs/dbraw/zinc/02/72/18/621027218.db2.gz WZMACDJUNMDJAW-GJZGRUSLSA-N 2 0 261.413 2.691 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902316839 621031345 /nfs/dbraw/zinc/03/13/45/621031345.db2.gz DCOHHFZCMJRXKR-CQSZACIVSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902346969 621034136 /nfs/dbraw/zinc/03/41/36/621034136.db2.gz NOHZYESELYBBDF-PVAVHDDUSA-N 2 0 290.451 2.866 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349652 621035695 /nfs/dbraw/zinc/03/56/95/621035695.db2.gz YSTKPQIOEQTEOC-JYJNAYRXSA-N 2 0 282.472 2.805 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326001 621036550 /nfs/dbraw/zinc/03/65/50/621036550.db2.gz BHEYSBRYEYCNEH-MRXNPFEDSA-N 2 0 260.425 2.905 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000902331486 621039209 /nfs/dbraw/zinc/03/92/09/621039209.db2.gz AYKYBHSDLONKHG-HNNXBMFYSA-N 2 0 276.424 2.823 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCOCC1 ZINC000902332882 621039784 /nfs/dbraw/zinc/03/97/84/621039784.db2.gz GVBNZJKGXSDMFU-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1ccc(F)cc1 ZINC000902334065 621040348 /nfs/dbraw/zinc/04/03/48/621040348.db2.gz PQYGGTKMDFFXCK-UKRRQHHQSA-N 2 0 294.414 2.961 20 0 CFADRP C[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000902338200 621042275 /nfs/dbraw/zinc/04/22/75/621042275.db2.gz MGMRDYYXMCEKOX-OWCLPIDISA-N 2 0 281.488 2.617 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902375223 621046301 /nfs/dbraw/zinc/04/63/01/621046301.db2.gz UJXFKWANBZQKLL-DGCLKSJQSA-N 2 0 281.469 2.923 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOC2CCCCC2)C1 ZINC000902360180 621052366 /nfs/dbraw/zinc/05/23/66/621052366.db2.gz GMKYVMHZQKEDLF-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359833 621052487 /nfs/dbraw/zinc/05/24/87/621052487.db2.gz HEMAFXBWIPNDBL-UKRRQHHQSA-N 2 0 276.424 2.691 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000902359816 621052587 /nfs/dbraw/zinc/05/25/87/621052587.db2.gz HDFMIAHALRLPKL-HNNXBMFYSA-N 2 0 291.439 2.738 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H](O)c1ccc(F)cc1 ZINC000902361154 621053084 /nfs/dbraw/zinc/05/30/84/621053084.db2.gz NUTUZSUOBNERQJ-RCBQFDQVSA-N 2 0 294.414 2.615 20 0 CFADRP CSc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccn1 ZINC000902361783 621053225 /nfs/dbraw/zinc/05/32/25/621053225.db2.gz SHJVDKBPXZFWMZ-ZDUSSCGKSA-N 2 0 279.453 2.671 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000902364653 621054497 /nfs/dbraw/zinc/05/44/97/621054497.db2.gz UDFIYMLEIWIZHB-HNNXBMFYSA-N 2 0 291.439 2.737 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1C ZINC000902406347 621055109 /nfs/dbraw/zinc/05/51/09/621055109.db2.gz SFTMKMVPUNCLGZ-KCXAZCMYSA-N 2 0 274.408 2.924 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1C ZINC000902406301 621055223 /nfs/dbraw/zinc/05/52/23/621055223.db2.gz RLDWKMKGKDBHEM-HIFRSBDPSA-N 2 0 262.397 2.796 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902381970 621058845 /nfs/dbraw/zinc/05/88/45/621058845.db2.gz AFJPVUOWAIGVHA-SJORKVTESA-N 2 0 290.451 2.705 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCCO1 ZINC000902391928 621062650 /nfs/dbraw/zinc/06/26/50/621062650.db2.gz IYLDCIMPDOFASN-KKUMJFAQSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+]CCCC[C@@H](NCC1([NH3+])CCC1)c1ccc(F)cc1F ZINC000902391966 621062925 /nfs/dbraw/zinc/06/29/25/621062925.db2.gz CWDLBBUELQYJRO-OAHLLOKOSA-N 3 0 297.393 2.606 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccn1 ZINC000902393481 621063749 /nfs/dbraw/zinc/06/37/49/621063749.db2.gz SAJYPWIBLHHCBZ-UONOGXRCSA-N 2 0 261.413 2.553 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000902395603 621064960 /nfs/dbraw/zinc/06/49/60/621064960.db2.gz HUUCEPXPFCWRDF-MRXNPFEDSA-N 2 0 288.435 2.627 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2CCCS2)C1 ZINC000902398466 621066321 /nfs/dbraw/zinc/06/63/21/621066321.db2.gz PSRJMNJZUXOJKA-STQMWFEESA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC(F)(F)C1 ZINC000902403866 621069683 /nfs/dbraw/zinc/06/96/83/621069683.db2.gz TVLQRSMHBCGRBZ-NSHDSACASA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428107 621075713 /nfs/dbraw/zinc/07/57/13/621075713.db2.gz BBJASUCRMYHHOL-ILXRZTDVSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000902432782 621077837 /nfs/dbraw/zinc/07/78/37/621077837.db2.gz PVEHYQYWFYDPOQ-DZGCQCFKSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902442045 621080917 /nfs/dbraw/zinc/08/09/17/621080917.db2.gz HPEXLTNURQCGLL-BOFPYLFWSA-N 2 0 296.414 2.841 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902442046 621081048 /nfs/dbraw/zinc/08/10/48/621081048.db2.gz HPEXLTNURQCGLL-OMWUSAIZSA-N 2 0 296.414 2.841 20 0 CFADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902476243 621087524 /nfs/dbraw/zinc/08/75/24/621087524.db2.gz NTZBOFLVDXQZIL-DFBDCSAJSA-N 2 0 270.420 2.880 20 0 CFADRP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902447067 621089801 /nfs/dbraw/zinc/08/98/01/621089801.db2.gz RCWAWHSVYWVWFX-WTUNAVPPSA-N 2 0 266.454 2.677 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902449250 621091030 /nfs/dbraw/zinc/09/10/30/621091030.db2.gz NETVAUJRRLTMRC-DJIMGWMZSA-N 2 0 293.499 2.617 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCS1 ZINC000902451044 621091907 /nfs/dbraw/zinc/09/19/07/621091907.db2.gz FBQVMUXICKSUHW-NEPJUHHUSA-N 2 0 254.443 2.535 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000902452745 621092713 /nfs/dbraw/zinc/09/27/13/621092713.db2.gz AIAOEULTFMVKFU-ONGXEEELSA-N 2 0 276.409 2.717 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1)[NH2+]2 ZINC000902453813 621093214 /nfs/dbraw/zinc/09/32/14/621093214.db2.gz QXXBGICLVWMMLG-ITGHMWBKSA-N 2 0 268.470 2.779 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCS1 ZINC000902454740 621093636 /nfs/dbraw/zinc/09/36/36/621093636.db2.gz UNVZVGJJJMVXHW-IJLUTSLNSA-N 2 0 254.443 2.520 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000902459171 621095307 /nfs/dbraw/zinc/09/53/07/621095307.db2.gz YARIWFBTVZMOQH-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)c2ccccc21 ZINC000902462351 621096710 /nfs/dbraw/zinc/09/67/10/621096710.db2.gz UZZAMRXYMKUQLV-KKBVYLPWSA-N 2 0 284.403 2.680 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902461780 621096818 /nfs/dbraw/zinc/09/68/18/621096818.db2.gz RQMJAYBUALCTBK-SWLSCSKDSA-N 2 0 291.439 2.847 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489997 621102266 /nfs/dbraw/zinc/10/22/66/621102266.db2.gz UGAYSJFOVGYPRL-NQBHXWOUSA-N 2 0 250.411 2.796 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902513638 621109310 /nfs/dbraw/zinc/10/93/10/621109310.db2.gz NALKEJDAHUHMRH-ZWKOTPCHSA-N 2 0 287.451 2.690 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000902483726 621110252 /nfs/dbraw/zinc/11/02/52/621110252.db2.gz AITPOHSSHCDPGG-NUTKFTJISA-N 2 0 285.366 2.637 20 0 CFADRP Cc1cc([C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C2CC2)ccc1F ZINC000902485137 621110711 /nfs/dbraw/zinc/11/07/11/621110711.db2.gz HZUHLQAZIJMSSI-DJSGYFEHSA-N 2 0 262.372 2.912 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000902484186 621110936 /nfs/dbraw/zinc/11/09/36/621110936.db2.gz FJEYNVURAZWNTF-LMZXCBKASA-N 3 0 299.462 2.509 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000902485621 621111710 /nfs/dbraw/zinc/11/17/10/621111710.db2.gz BTEHIUDPJCOQFD-GPCCPHFNSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000902487751 621112617 /nfs/dbraw/zinc/11/26/17/621112617.db2.gz MBTUCFMAJZWKFK-NRPADANISA-N 2 0 288.222 2.964 20 0 CFADRP COc1cc(OC)c([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1Cl ZINC000902488127 621112771 /nfs/dbraw/zinc/11/27/71/621112771.db2.gz KWIJSGANBTVXJE-GMTAPVOTSA-N 2 0 298.814 2.745 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489365 621112943 /nfs/dbraw/zinc/11/29/43/621112943.db2.gz PMVUDZZCLQOOBK-UMVBOHGHSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000902489329 621113058 /nfs/dbraw/zinc/11/30/58/621113058.db2.gz PDEMSWFWLCPESY-FXPVBKGRSA-N 2 0 256.752 2.867 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000902488696 621113213 /nfs/dbraw/zinc/11/32/13/621113213.db2.gz MNTHQAVAMHHHAC-FXPVBKGRSA-N 2 0 256.752 2.867 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521364 621116174 /nfs/dbraw/zinc/11/61/74/621116174.db2.gz RMRNDYXQSOQGFP-PAYONLEZSA-N 2 0 288.435 2.545 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+]1CCCCC1 ZINC000902756538 621165624 /nfs/dbraw/zinc/16/56/24/621165624.db2.gz INYUQVUOKAZQMK-OIGKAMSRSA-N 2 0 292.467 2.512 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+]1CCCCC1 ZINC000902756540 621165873 /nfs/dbraw/zinc/16/58/73/621165873.db2.gz INYUQVUOKAZQMK-UXJCHEOYSA-N 2 0 292.467 2.512 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902761663 621167509 /nfs/dbraw/zinc/16/75/09/621167509.db2.gz WHQCYRPELZTXBG-JONQDZQNSA-N 2 0 250.430 2.887 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902785167 621168385 /nfs/dbraw/zinc/16/83/85/621168385.db2.gz AYBASKYWCKYQRR-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000902776414 621171077 /nfs/dbraw/zinc/17/10/77/621171077.db2.gz KQPCOVAZEPLLPU-RDJZCZTQSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170344 625469115 /nfs/dbraw/zinc/46/91/15/625469115.db2.gz YCBHCXKRANEQEL-HNNXBMFYSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1COc2ccccc2C1 ZINC000902780355 621172132 /nfs/dbraw/zinc/17/21/32/621172132.db2.gz GADUVHMZMJARKY-ZBFHGGJFSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902780680 621172297 /nfs/dbraw/zinc/17/22/97/621172297.db2.gz NWFQLWVBUAWPET-FMKPAKJESA-N 2 0 276.424 2.556 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000902794068 621178144 /nfs/dbraw/zinc/17/81/44/621178144.db2.gz RZAAZTQGHBRRRF-QGZVFWFLSA-N 2 0 282.472 2.759 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902975618 621215734 /nfs/dbraw/zinc/21/57/34/621215734.db2.gz HTIPIUVHPHJWDG-NQLMQOPMSA-N 2 0 292.467 2.510 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000902978860 621216694 /nfs/dbraw/zinc/21/66/94/621216694.db2.gz LFSDKRFFIRWDNR-VXLLPVPCSA-N 2 0 280.456 2.941 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000903014892 621221887 /nfs/dbraw/zinc/22/18/87/621221887.db2.gz AOUPJJBWZHNUQB-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000903018223 621222354 /nfs/dbraw/zinc/22/23/54/621222354.db2.gz ZCRHDEFREMNRQD-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000903057472 621236051 /nfs/dbraw/zinc/23/60/51/621236051.db2.gz CIRZUEGZBCLWKC-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP COCCN1CCC([NH2+][C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)CC1 ZINC000903078971 621244678 /nfs/dbraw/zinc/24/46/78/621244678.db2.gz KTLYVMUDDRUUPS-KCYZZUKISA-N 2 0 282.472 2.758 20 0 CFADRP CCCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903084262 621246321 /nfs/dbraw/zinc/24/63/21/621246321.db2.gz WHGDZIQSSSXAEL-VHRNVKJDSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000903073755 621251137 /nfs/dbraw/zinc/25/11/37/621251137.db2.gz QFAIVLVQZRPKMA-WCXIOVBPSA-N 2 0 282.472 2.902 20 0 CFADRP CSCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098508 621252213 /nfs/dbraw/zinc/25/22/13/621252213.db2.gz PSCWIMMLKVSUIV-LQDVMPOASA-N 2 0 268.470 2.877 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903097604 621259641 /nfs/dbraw/zinc/25/96/41/621259641.db2.gz GYNXBADNFKKNPR-WDVRLDOZSA-N 2 0 280.456 2.531 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000903097558 621259734 /nfs/dbraw/zinc/25/97/34/621259734.db2.gz UAYRUPBGNXKQGL-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCOC3(CCC3)C1)C2 ZINC000903123511 621261077 /nfs/dbraw/zinc/26/10/77/621261077.db2.gz AQLNRUTZVIKPIP-YTTRVJOFSA-N 2 0 290.451 2.836 20 0 CFADRP CCC(CC)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903127565 621262415 /nfs/dbraw/zinc/26/24/15/621262415.db2.gz ITUYEGWOQQGBGU-VHRNVKJDSA-N 2 0 280.456 2.533 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903130983 621263902 /nfs/dbraw/zinc/26/39/02/621263902.db2.gz GLWPGUUCYKTNAD-SSFAUMQDSA-N 2 0 292.467 2.793 20 0 CFADRP CCOC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903158105 621270338 /nfs/dbraw/zinc/27/03/38/621270338.db2.gz RAZAHCYIQRHUKV-CVGRLMLNSA-N 2 0 280.456 2.795 20 0 CFADRP COCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903174017 621274339 /nfs/dbraw/zinc/27/43/39/621274339.db2.gz BUYSWJOMHXSAQH-ZXFUBFMLSA-N 2 0 292.467 2.941 20 0 CFADRP CO[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903174229 621274377 /nfs/dbraw/zinc/27/43/77/621274377.db2.gz GUGJGZQTLVZWFP-YQAQFAQXSA-N 2 0 278.440 2.549 20 0 CFADRP CCC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903178509 621275817 /nfs/dbraw/zinc/27/58/17/621275817.db2.gz WPZIQRRWFGAAFV-YPAMNDHTSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@@H](COCC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903194006 621280830 /nfs/dbraw/zinc/28/08/30/621280830.db2.gz ISHCKNMAIDMHPL-IICXIOTHSA-N 2 0 278.440 2.549 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C ZINC000903196532 621281875 /nfs/dbraw/zinc/28/18/75/621281875.db2.gz QFWUPDQNIGNGRJ-IAODNVIUSA-N 2 0 252.446 2.987 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000903186603 621285183 /nfs/dbraw/zinc/28/51/83/621285183.db2.gz SCFLGVREANACQC-JOABBYSTSA-N 2 0 260.425 2.922 20 0 CFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903208112 621288450 /nfs/dbraw/zinc/28/84/50/621288450.db2.gz ZOXTWVGDCQFMCF-ZGCGOEOGSA-N 2 0 278.440 2.546 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000903281990 621311455 /nfs/dbraw/zinc/31/14/55/621311455.db2.gz JWCZHEMEGRSTKJ-RBKKPWLPSA-N 2 0 268.470 2.590 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@H]2CCC[C@@H]21 ZINC000903323327 621323723 /nfs/dbraw/zinc/32/37/23/621323723.db2.gz JOVLALQABNAPFL-PLQZLIEUSA-N 2 0 292.467 2.797 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903307831 621325953 /nfs/dbraw/zinc/32/59/53/621325953.db2.gz LHBHZGNXSFNOBN-DLBZAZTESA-N 2 0 288.435 2.512 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@H]3CCC[C@@H]31)C2 ZINC000903318260 621331294 /nfs/dbraw/zinc/33/12/94/621331294.db2.gz PSGGHFGYGOLOHR-UIEMGDCHSA-N 2 0 260.425 2.922 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000903352793 621344472 /nfs/dbraw/zinc/34/44/72/621344472.db2.gz HFVDSTMXGARDFH-ILXRZTDVSA-N 2 0 296.455 2.571 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000903352795 621344699 /nfs/dbraw/zinc/34/46/99/621344699.db2.gz HFVDSTMXGARDFH-KFWWJZLASA-N 2 0 296.455 2.571 20 0 CFADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC000903353735 621345251 /nfs/dbraw/zinc/34/52/51/621345251.db2.gz NPRNYTZLORAEJP-FFHGMXDLSA-N 2 0 296.455 2.569 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccnc1 ZINC000903381399 621355369 /nfs/dbraw/zinc/35/53/69/621355369.db2.gz WFIDAZFUFLHNFK-ORQFMDKSSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(C)(C)O ZINC000903390534 621360431 /nfs/dbraw/zinc/36/04/31/621360431.db2.gz BTUIPDQVOHZVDT-HLIUYOAVSA-N 2 0 268.445 2.533 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000903400207 621367983 /nfs/dbraw/zinc/36/79/83/621367983.db2.gz MXVPLDYTEPXLEB-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903425169 621369654 /nfs/dbraw/zinc/36/96/54/621369654.db2.gz VTGLZMRLEGOGRW-OCCSQVGLSA-N 2 0 264.438 2.968 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)C1 ZINC000903425967 621370619 /nfs/dbraw/zinc/37/06/19/621370619.db2.gz CMGVWAWWXDKRLF-RRFJBIMHSA-N 2 0 294.464 2.857 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903434299 621372587 /nfs/dbraw/zinc/37/25/87/621372587.db2.gz AUDJLZBHWOSPDT-IJEWVQPXSA-N 2 0 274.408 2.688 20 0 CFADRP Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431685 621372823 /nfs/dbraw/zinc/37/28/23/621372823.db2.gz VGFNEAFQWSMPQA-HLLBOEOZSA-N 2 0 258.409 2.987 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000903434600 621373097 /nfs/dbraw/zinc/37/30/97/621373097.db2.gz IPAZMLJIGVUXLN-WCQYABFASA-N 2 0 264.800 2.826 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000903439689 621376775 /nfs/dbraw/zinc/37/67/75/621376775.db2.gz HTFMTWHCPKTUFL-JDEYZFBPSA-N 2 0 292.467 2.798 20 0 CFADRP CCS[C@H]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903441481 621378026 /nfs/dbraw/zinc/37/80/26/621378026.db2.gz UREMYLOUSAMRSS-RFGFWPKPSA-N 2 0 256.459 2.720 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903460981 621381072 /nfs/dbraw/zinc/38/10/72/621381072.db2.gz KPFBMPWVCHGVPT-XOKHGSTOSA-N 2 0 276.399 2.917 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000903461597 621381220 /nfs/dbraw/zinc/38/12/20/621381220.db2.gz VJOQGUUYYIFDRV-JKIFEVAISA-N 2 0 276.399 2.645 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000903461193 621381560 /nfs/dbraw/zinc/38/15/60/621381560.db2.gz OXFZGFQTOBMLBU-MJBXVCDLSA-N 2 0 290.398 2.783 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442724 621382599 /nfs/dbraw/zinc/38/25/99/621382599.db2.gz ZWLVECOVDKKRMZ-BDXSIMOUSA-N 3 0 293.499 2.700 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1[NH3+] ZINC000903449458 621385874 /nfs/dbraw/zinc/38/58/74/621385874.db2.gz BHJIKAWYKYBFPN-ZFWWWQNUSA-N 2 0 257.381 2.727 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903453650 621387290 /nfs/dbraw/zinc/38/72/90/621387290.db2.gz GXDRBJCQHHNAOE-QWHCGFSZSA-N 2 0 260.372 2.886 20 0 CFADRP c1cc2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2[nH]1 ZINC000903454140 621387845 /nfs/dbraw/zinc/38/78/45/621387845.db2.gz VUABGINQQCQLPF-IAGOWNOFSA-N 2 0 283.419 2.989 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000903454017 621388112 /nfs/dbraw/zinc/38/81/12/621388112.db2.gz RJGYIEUKXVAVDP-ZACQAIPSSA-N 2 0 282.472 2.617 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903457322 621388454 /nfs/dbraw/zinc/38/84/54/621388454.db2.gz QQJREEGDWSRLQJ-AEFFLSMTSA-N 3 0 295.515 2.676 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000903457478 621388554 /nfs/dbraw/zinc/38/85/54/621388554.db2.gz UMRPWQVFMOYSOL-ZMSDIMECSA-N 2 0 273.424 2.690 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456399 621388590 /nfs/dbraw/zinc/38/85/90/621388590.db2.gz HMJLATOHKBEHGW-COXVUDFISA-N 2 0 258.409 2.951 20 0 CFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903456401 621388602 /nfs/dbraw/zinc/38/86/02/621388602.db2.gz HMJLATOHKBEHGW-XOKHGSTOSA-N 2 0 258.409 2.951 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000903474188 621389925 /nfs/dbraw/zinc/38/99/25/621389925.db2.gz HYWLGSKPBNLYRB-AWEZNQCLSA-N 2 0 290.398 2.512 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C(C)(C)O1 ZINC000903481670 621391734 /nfs/dbraw/zinc/39/17/34/621391734.db2.gz JJXKWIJFTJQUSV-KGLIPLIRSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)n1 ZINC000903481645 621391820 /nfs/dbraw/zinc/39/18/20/621391820.db2.gz INGFJYUJUSXQCI-YUELXQCFSA-N 2 0 293.480 2.562 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903481894 621391898 /nfs/dbraw/zinc/39/18/98/621391898.db2.gz PPYZFRUXIYECTK-AWEZNQCLSA-N 2 0 260.372 2.887 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)c(C)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481553 621392016 /nfs/dbraw/zinc/39/20/16/621392016.db2.gz FYLALLBSRKCQMI-MSOLQXFVSA-N 2 0 290.451 2.879 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000903482073 621392525 /nfs/dbraw/zinc/39/25/25/621392525.db2.gz WLBQZVPNRCWWFF-UPJWGTAASA-N 2 0 280.362 2.610 20 0 CFADRP CC1(C)c2ccccc2CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903482666 621392607 /nfs/dbraw/zinc/39/26/07/621392607.db2.gz OLRMSJAPUUGZCG-HIFRSBDPSA-N 2 0 258.409 2.907 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484528 621393264 /nfs/dbraw/zinc/39/32/64/621393264.db2.gz AONMBSGUGRMIIZ-MRXNPFEDSA-N 2 0 258.409 2.884 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CC[NH3+] ZINC000903499560 621393951 /nfs/dbraw/zinc/39/39/51/621393951.db2.gz WGYBQQSFHLXOLD-IUODEOHRSA-N 2 0 257.381 2.585 20 0 CFADRP CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000903498826 621394367 /nfs/dbraw/zinc/39/43/67/621394367.db2.gz FNSVPFNHTJEQBP-CHWSQXEVSA-N 2 0 281.469 2.902 20 0 CFADRP c1ccc([C@]23C[C@H]2C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000903491172 621394938 /nfs/dbraw/zinc/39/49/38/621394938.db2.gz YIJLRFTUAQXFFR-RYQLBKOJSA-N 2 0 270.420 2.650 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000903565967 621396682 /nfs/dbraw/zinc/39/66/82/621396682.db2.gz WEGPJDUCCVHEPV-AWEZNQCLSA-N 2 0 281.469 2.917 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000903575398 621398361 /nfs/dbraw/zinc/39/83/61/621398361.db2.gz MYFCQFJEJBLOPG-OAHLLOKOSA-N 2 0 261.413 2.539 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903718393 621425319 /nfs/dbraw/zinc/42/53/19/621425319.db2.gz LWIUATIQLDBNKP-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP C[C@@H]([N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903721620 621426211 /nfs/dbraw/zinc/42/62/11/621426211.db2.gz BSHLLSCUDCGXEC-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000903723008 621426564 /nfs/dbraw/zinc/42/65/64/621426564.db2.gz RWVKEXYCTFVKGX-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722268 621426601 /nfs/dbraw/zinc/42/66/01/621426601.db2.gz JWHUQYJLYNZLFX-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cs1 ZINC000903723293 621426899 /nfs/dbraw/zinc/42/68/99/621426899.db2.gz HHBJSCAWWZQEEC-OWCLPIDISA-N 2 0 292.448 2.654 20 0 CFADRP CN(Cc1ccc(F)c(F)c1)C[C@@H]1CCCC[NH2+]C1 ZINC000903724460 621427709 /nfs/dbraw/zinc/42/77/09/621427709.db2.gz NTIPJPOCLKEWJF-CYBMUJFWSA-N 2 0 268.351 2.786 20 0 CFADRP CC(C)C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725002 621427722 /nfs/dbraw/zinc/42/77/22/621427722.db2.gz UNNPEIJSGZLYEU-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903725411 621428144 /nfs/dbraw/zinc/42/81/44/621428144.db2.gz BKZOTDPPCLPTLS-NVXWUHKLSA-N 2 0 288.435 2.874 20 0 CFADRP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCCCC1 ZINC000903727952 621428895 /nfs/dbraw/zinc/42/88/95/621428895.db2.gz ZWAKHKLNCDLNQM-IAGOWNOFSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729010 621428976 /nfs/dbraw/zinc/42/89/76/621428976.db2.gz JECPQENEWAAALI-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903729953 621429407 /nfs/dbraw/zinc/42/94/07/621429407.db2.gz TUVGGMLMRGBMPV-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000903729088 621429464 /nfs/dbraw/zinc/42/94/64/621429464.db2.gz JQUXFVCRKSCKCP-SJLPKXTDSA-N 2 0 292.467 2.801 20 0 CFADRP C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903732608 621430171 /nfs/dbraw/zinc/43/01/71/621430171.db2.gz GWCGTEKMKOEVFE-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1CF ZINC000903751948 621433031 /nfs/dbraw/zinc/43/30/31/621433031.db2.gz JQZGZWSYMYKIFZ-AWEZNQCLSA-N 2 0 250.361 2.634 20 0 CFADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000903734640 621433689 /nfs/dbraw/zinc/43/36/89/621433689.db2.gz UHOVYYDNMUQOMU-RYRKJORJSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)CC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733907 621433717 /nfs/dbraw/zinc/43/37/17/621433717.db2.gz SGYRMUYEZPHNKL-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903734878 621433894 /nfs/dbraw/zinc/43/38/94/621433894.db2.gz WXLGTMNYBDIIRP-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3CF)C[C@@H]21 ZINC000903744468 621435772 /nfs/dbraw/zinc/43/57/72/621435772.db2.gz SQBAEAKCGWQUKZ-HRCADAONSA-N 2 0 262.372 2.715 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@H]2CCCC[NH2+]C2)cn1 ZINC000903763037 621436628 /nfs/dbraw/zinc/43/66/28/621436628.db2.gz HFVISOLSYPSMMG-KRWDZBQOSA-N 2 0 287.451 2.992 20 0 CFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764261 621436653 /nfs/dbraw/zinc/43/66/53/621436653.db2.gz QPYXCFQIJTVUKZ-LUKYLMHMSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000903764981 621437384 /nfs/dbraw/zinc/43/73/84/621437384.db2.gz CVEAHQCRPBTOGY-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cc(C)cc(C[N@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903756252 621438535 /nfs/dbraw/zinc/43/85/35/621438535.db2.gz PNGHORAWCODIMZ-ZWKOTPCHSA-N 2 0 288.435 2.504 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790853 621439209 /nfs/dbraw/zinc/43/92/09/621439209.db2.gz DMCLAWKTLKHOHR-UHFFFAOYSA-N 2 0 292.471 2.969 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nccs2)CC1 ZINC000903792758 621439689 /nfs/dbraw/zinc/43/96/89/621439689.db2.gz IQPGZKXXQXZAPR-UHFFFAOYSA-N 2 0 287.432 2.636 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903788304 621442212 /nfs/dbraw/zinc/44/22/12/621442212.db2.gz IAWRUWQUZSQFKR-NSHDSACASA-N 2 0 286.778 2.529 20 0 CFADRP C[C@@H]1C[C@H](C)CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903787804 621442442 /nfs/dbraw/zinc/44/24/42/621442442.db2.gz ZSXGIAXURLDNPU-BZUAXINKSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)ccn1 ZINC000903811792 621446648 /nfs/dbraw/zinc/44/66/48/621446648.db2.gz NNVPUAHATFVFMZ-INIZCTEOSA-N 2 0 273.424 2.874 20 0 CFADRP CC(C)(C)CCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818482 621448343 /nfs/dbraw/zinc/44/83/43/621448343.db2.gz NGFWCHOHBCURJO-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C(C[N@@H+]1CCCSC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000903825672 621450528 /nfs/dbraw/zinc/45/05/28/621450528.db2.gz CKJJDNYDICXROY-HNNXBMFYSA-N 2 0 268.470 2.594 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCSC[C@@H]2C)cc1 ZINC000903829157 621451632 /nfs/dbraw/zinc/45/16/32/621451632.db2.gz AVTROTFRYVDZGO-ZFWWWQNUSA-N 2 0 294.464 2.565 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1[C@@H](c3ccccc3)C1(F)F)C2 ZINC000903841675 621453277 /nfs/dbraw/zinc/45/32/77/621453277.db2.gz ZMLSPGHJTOFDAP-PJGLDBICSA-N 2 0 292.373 2.847 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892008 621461907 /nfs/dbraw/zinc/46/19/07/621461907.db2.gz FRJVHSUMHRYWCJ-NPYXIHBLSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903876644 621462832 /nfs/dbraw/zinc/46/28/32/621462832.db2.gz HJMSXNOQFSOGLG-ALOPSCKCSA-N 2 0 288.435 2.836 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000903895428 621465963 /nfs/dbraw/zinc/46/59/63/621465963.db2.gz NRMOYTLHJOOOMI-BMRXWSCTSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903905379 621469582 /nfs/dbraw/zinc/46/95/82/621469582.db2.gz DENQWFKBYPIMST-AWEZNQCLSA-N 2 0 281.403 2.920 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912217 621471495 /nfs/dbraw/zinc/47/14/95/621471495.db2.gz BQZBLWUHKZVELT-HMQMGEFJSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H](N)CC(F)F)C(C)(C)c1ccccc1 ZINC000903922897 621473443 /nfs/dbraw/zinc/47/34/43/621473443.db2.gz HBHSNYTVXIVPPN-AAEUAGOBSA-N 2 0 270.367 2.925 20 0 CFADRP Fc1ccc(F)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903923016 621474503 /nfs/dbraw/zinc/47/45/03/621474503.db2.gz JMMJHUCRJDNTEL-FTNCPSPGSA-N 2 0 266.335 2.585 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903935043 621477376 /nfs/dbraw/zinc/47/73/76/621477376.db2.gz LFUNRKRITXXWMQ-RBUKOAKNSA-N 2 0 293.414 2.759 20 0 CFADRP C[C@H]1C[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)C1(F)F ZINC000903934448 621477445 /nfs/dbraw/zinc/47/74/45/621477445.db2.gz HNLJQVOBEXYIBM-WSOGJNRSSA-N 2 0 272.383 2.740 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccn1 ZINC000903933431 621477480 /nfs/dbraw/zinc/47/74/80/621477480.db2.gz RFZFZKRLLXACAK-AWEZNQCLSA-N 2 0 281.403 2.621 20 0 CFADRP Cc1csc([C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903937470 621477625 /nfs/dbraw/zinc/47/76/25/621477625.db2.gz LMRMECBHMZXNIN-NUDNTCICSA-N 2 0 291.464 2.771 20 0 CFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000903939013 621477767 /nfs/dbraw/zinc/47/77/67/621477767.db2.gz BLXMPPHZZVNOIB-ZDUSSCGKSA-N 2 0 291.439 2.683 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccccc1OCC1CC1 ZINC000903938456 621478325 /nfs/dbraw/zinc/47/83/25/621478325.db2.gz BMJMBIQHGXKJOX-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])C1 ZINC000903938839 621478338 /nfs/dbraw/zinc/47/83/38/621478338.db2.gz MORBCVPPRMSESE-ZBFHGGJFSA-N 2 0 275.440 2.539 20 0 CFADRP CC(C)(C)[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000903917312 621478537 /nfs/dbraw/zinc/47/85/37/621478537.db2.gz LESQKSGRPZMQNL-KRWDZBQOSA-N 2 0 288.435 2.579 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957355 621479211 /nfs/dbraw/zinc/47/92/11/621479211.db2.gz PZTXARFXUKPDAV-WCQYABFASA-N 2 0 288.407 2.904 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957325 621479225 /nfs/dbraw/zinc/47/92/25/621479225.db2.gz PUUOYWWTGKUYNJ-DTWKUNHWSA-N 2 0 274.277 2.552 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCc2c1cccc2F ZINC000903959447 621479619 /nfs/dbraw/zinc/47/96/19/621479619.db2.gz ICYUAXSWFCGLQX-OZVIIMIRSA-N 2 0 262.372 2.933 20 0 CFADRP CCC1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903958395 621479999 /nfs/dbraw/zinc/47/99/99/621479999.db2.gz ZFWNTJDJHMASTJ-CPCZMJQVSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1 ZINC000903939584 621481539 /nfs/dbraw/zinc/48/15/39/621481539.db2.gz JTXCFDLFGJHUOE-CQSZACIVSA-N 2 0 291.439 2.738 20 0 CFADRP CC(C)([NH3+])CC[NH2+]CCCCCOc1ccccc1 ZINC000903940019 621481731 /nfs/dbraw/zinc/48/17/31/621481731.db2.gz SVOXNSFBVCWITR-UHFFFAOYSA-N 2 0 264.413 2.953 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903947770 621485107 /nfs/dbraw/zinc/48/51/07/621485107.db2.gz HMKSPGCIUZLFRA-CABCVRRESA-N 2 0 298.471 2.532 20 0 CFADRP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903949162 621486266 /nfs/dbraw/zinc/48/62/66/621486266.db2.gz ZKETYCVWEDAAQC-GRLWTPEZSA-N 2 0 288.410 2.990 20 0 CFADRP C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC[NH2+]C1 ZINC000903954312 621489656 /nfs/dbraw/zinc/48/96/56/621489656.db2.gz QIFQXMMOYNGMGQ-AVGNSLFASA-N 2 0 276.346 2.650 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000903956244 621491206 /nfs/dbraw/zinc/49/12/06/621491206.db2.gz JTKMQMQQWCIXPF-MGPQQGTHSA-N 2 0 272.383 2.790 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000903973555 621492137 /nfs/dbraw/zinc/49/21/37/621492137.db2.gz GLSZSKRILJBLFL-VXGBXAGGSA-N 2 0 282.815 2.684 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1nccc2ccccc21 ZINC000903974137 621492210 /nfs/dbraw/zinc/49/22/10/621492210.db2.gz JWCJYLLDPPWXNN-UKRRQHHQSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc2ccccc2o1 ZINC000903974557 621492986 /nfs/dbraw/zinc/49/29/86/621492986.db2.gz QMHJYYUKRSZLST-TZMCWYRMSA-N 2 0 258.365 2.768 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1OCC1CC1 ZINC000903974776 621493172 /nfs/dbraw/zinc/49/31/72/621493172.db2.gz SBOJYWDCFZUDJL-GDBMZVCRSA-N 2 0 288.435 2.811 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1CC[NH3+] ZINC000903978364 621494448 /nfs/dbraw/zinc/49/44/48/621494448.db2.gz MMPWZGAWRPCRFK-RHSMWYFYSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000903967739 621496374 /nfs/dbraw/zinc/49/63/74/621496374.db2.gz MPKNMVFDDLMNNI-RHYQMDGZSA-N 2 0 264.335 2.553 20 0 CFADRP CC(C)C[N@H+](Cc1ccccn1)C[C@@]1(C)CC[NH2+]C1 ZINC000903987258 621499439 /nfs/dbraw/zinc/49/94/39/621499439.db2.gz BYDKGNSNXKHNKO-INIZCTEOSA-N 2 0 261.413 2.539 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299252 621568325 /nfs/dbraw/zinc/56/83/25/621568325.db2.gz AFWCFNDUACJQCA-CZUORRHYSA-N 2 0 274.408 2.571 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000904307046 621569461 /nfs/dbraw/zinc/56/94/61/621569461.db2.gz JDTNKZPMFCGRCL-KGLIPLIRSA-N 2 0 268.445 2.641 20 0 CFADRP Cn1cccc1[C@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904304243 621569663 /nfs/dbraw/zinc/56/96/63/621569663.db2.gz WNLVJCQWUXHQEE-CVEARBPZSA-N 2 0 261.413 2.552 20 0 CFADRP CC[N@@H+](Cc1ccccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307455 621570177 /nfs/dbraw/zinc/57/01/77/621570177.db2.gz ASYVUDDRUXUFEA-BJHJDKERSA-N 2 0 252.789 2.899 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CCC(C)(C)C)[C@@H](C)C1 ZINC000904323131 621574670 /nfs/dbraw/zinc/57/46/70/621574670.db2.gz NBVCMEDBQMHZOG-JYJNAYRXSA-N 2 0 283.504 2.802 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000904326784 621576063 /nfs/dbraw/zinc/57/60/63/621576063.db2.gz SHLFFLFWRRBFLG-FRRDWIJNSA-N 2 0 280.799 2.530 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[C@@H]21 ZINC000904328023 621576325 /nfs/dbraw/zinc/57/63/25/621576325.db2.gz LQEPBDLICNCTIF-PMPSAXMXSA-N 2 0 281.488 2.556 20 0 CFADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)CCC2 ZINC000904326447 621576488 /nfs/dbraw/zinc/57/64/88/621576488.db2.gz JYFUCSUICYFPIO-NTZNESFSSA-N 2 0 279.453 2.752 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000904329966 621576743 /nfs/dbraw/zinc/57/67/43/621576743.db2.gz VRSKEAOPFHDHMK-JNSHFYNHSA-N 2 0 294.826 2.673 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000904334463 621577562 /nfs/dbraw/zinc/57/75/62/621577562.db2.gz WRBWCSMEXJITIC-IXDOHACOSA-N 2 0 289.467 2.567 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccsc3)CC2)C1 ZINC000904340798 621578060 /nfs/dbraw/zinc/57/80/60/621578060.db2.gz DRYFGDCTZZTKSD-VDISTLRHSA-N 2 0 250.411 2.665 20 0 CFADRP COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342351 621579093 /nfs/dbraw/zinc/57/90/93/621579093.db2.gz DYJPMUXHOWGAQL-BYCMXARLSA-N 2 0 282.815 2.697 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC3(C1)CC[NH2+]CC3)CCCO2 ZINC000904349774 621580154 /nfs/dbraw/zinc/58/01/54/621580154.db2.gz BLOCQFVLDPMQBC-UHFFFAOYSA-N 2 0 286.419 2.587 20 0 CFADRP C[C@H]([NH3+])c1ccc(CNC[C@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904349583 621580246 /nfs/dbraw/zinc/58/02/46/621580246.db2.gz AVPSGYKTEYNUDL-XJKSGUPXSA-N 2 0 277.456 2.950 20 0 CFADRP C[NH2+]Cc1cccc(NC[C@H]([NH3+])CCC(C)(C)C)c1 ZINC000904353374 621581011 /nfs/dbraw/zinc/58/10/11/621581011.db2.gz KTCOVWWEQVAFLL-CQSZACIVSA-N 2 0 263.429 2.972 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904360262 621582711 /nfs/dbraw/zinc/58/27/11/621582711.db2.gz YOLLORQBCZMPOV-BXUZGUMPSA-N 2 0 281.444 2.966 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000904367855 621584138 /nfs/dbraw/zinc/58/41/38/621584138.db2.gz FBEDJDUJZHBCLS-HYVNUMGLSA-N 2 0 288.435 2.607 20 0 CFADRP [NH3+]CC1CC([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000904363160 621585379 /nfs/dbraw/zinc/58/53/79/621585379.db2.gz DCYRHCAQDSTJJV-UHFFFAOYSA-N 2 0 258.287 2.532 20 0 CFADRP CN(CC1=CCSC1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904379270 621587859 /nfs/dbraw/zinc/58/78/59/621587859.db2.gz SBBQXFAMEFIQFQ-ZDUSSCGKSA-N 2 0 256.459 2.745 20 0 CFADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904377507 621587893 /nfs/dbraw/zinc/58/78/93/621587893.db2.gz RKSRQJFBUSSXJU-QGZVFWFLSA-N 2 0 267.376 2.505 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000904384448 621588248 /nfs/dbraw/zinc/58/82/48/621588248.db2.gz KOGSPWNBSFRRFS-UONOGXRCSA-N 2 0 269.477 2.508 20 0 CFADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904386395 621589431 /nfs/dbraw/zinc/58/94/31/621589431.db2.gz YKWLLFUXJCULFM-YQQAZPJKSA-N 2 0 299.462 2.639 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000904405052 621590165 /nfs/dbraw/zinc/59/01/65/621590165.db2.gz HZEJGGHVNCVFDF-BIOMNHJASA-N 2 0 266.335 2.649 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc2cccnc12 ZINC000904405068 621590479 /nfs/dbraw/zinc/59/04/79/621590479.db2.gz ILMRQYSJRHXUCH-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1C[NH3+] ZINC000904409858 621591322 /nfs/dbraw/zinc/59/13/22/621591322.db2.gz KKFLBJPIDVTDCP-SUMWQHHRSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904409662 621591385 /nfs/dbraw/zinc/59/13/85/621591385.db2.gz FQXFVFLYIJBZNW-VYDXJSESSA-N 2 0 260.425 2.782 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904410614 621591650 /nfs/dbraw/zinc/59/16/50/621591650.db2.gz DWEHOILABFONLE-ZFWWWQNUSA-N 2 0 292.423 2.511 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1F ZINC000904411061 621592408 /nfs/dbraw/zinc/59/24/08/621592408.db2.gz JAQJZZSLKKQJCC-OCCSQVGLSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411742 621592528 /nfs/dbraw/zinc/59/25/28/621592528.db2.gz XVYFUAFSZSNOTF-ORQFMDKSSA-N 2 0 258.409 2.707 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)oc21 ZINC000904411913 621592652 /nfs/dbraw/zinc/59/26/52/621592652.db2.gz PXBDMRJSTKBLMJ-OCCSQVGLSA-N 2 0 288.391 2.858 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412852 621593305 /nfs/dbraw/zinc/59/33/05/621593305.db2.gz XVPDSMYZRSMUDZ-GOEBONIOSA-N 2 0 276.424 2.892 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000904412316 621593549 /nfs/dbraw/zinc/59/35/49/621593549.db2.gz RZKOCJQOKNGWJH-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP C([C@@H]1CCSC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416995 621594047 /nfs/dbraw/zinc/59/40/47/621594047.db2.gz WHMXCNSHOKWMDJ-LSDHHAIUSA-N 2 0 282.497 2.841 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000904432522 621595193 /nfs/dbraw/zinc/59/51/93/621595193.db2.gz AYOCDAWPINJMOU-ASDXVTRWSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1csc(C[C@@H]2CCN(C[C@@H]([NH3+])CC(C)C)C2)n1 ZINC000904433090 621595277 /nfs/dbraw/zinc/59/52/77/621595277.db2.gz KFRVBMHUAXIKIJ-KBPBESRZSA-N 2 0 281.469 2.689 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC000904443891 621598609 /nfs/dbraw/zinc/59/86/09/621598609.db2.gz JFAITPJRIDOVMG-TYNCELHUSA-N 2 0 278.371 2.627 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000904446838 621599590 /nfs/dbraw/zinc/59/95/90/621599590.db2.gz ZHAJKPFXGBQFKM-AWEZNQCLSA-N 2 0 261.413 2.550 20 0 CFADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccccc1 ZINC000904468692 621600692 /nfs/dbraw/zinc/60/06/92/621600692.db2.gz FEYLWRSCONPMKQ-OOKSDGMUSA-N 2 0 299.462 2.728 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)c1cccc2ccccc21 ZINC000904485228 621602132 /nfs/dbraw/zinc/60/21/32/621602132.db2.gz RQBIWAPIJNLTCH-OAHLLOKOSA-N 2 0 297.446 2.914 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C)c2)CC1 ZINC000905106570 621701171 /nfs/dbraw/zinc/70/11/71/621701171.db2.gz RNMFHWQZXOUZLG-SFHVURJKSA-N 2 0 290.451 2.883 20 0 CFADRP c1cc([C@@H]2CCC[NH2+]2)ccc1OCCC1CC[NH2+]CC1 ZINC000905616053 621805535 /nfs/dbraw/zinc/80/55/35/621805535.db2.gz BPGNWWRFEGBVNO-KRWDZBQOSA-N 2 0 274.408 2.880 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])C2CCCCCC2)c1 ZINC000911691511 622536008 /nfs/dbraw/zinc/53/60/08/622536008.db2.gz ACRIPOSDMMACPY-MRXNPFEDSA-N 2 0 289.423 2.642 20 0 CFADRP Cc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cs1 ZINC000820806486 622760742 /nfs/dbraw/zinc/76/07/42/622760742.db2.gz JIYIFPUXTWEDBB-VHRNVKJDSA-N 2 0 291.464 2.741 20 0 CFADRP COc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000057993968 623024635 /nfs/dbraw/zinc/02/46/35/623024635.db2.gz ILVCGKPKURKRIF-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@H](CN[C@@H]1CCc2cccnc21)C[NH+]1CCCCC1 ZINC000226815686 623090574 /nfs/dbraw/zinc/09/05/74/623090574.db2.gz FKRFKRCTLABQRA-GDBMZVCRSA-N 2 0 273.424 2.781 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1F ZINC000227183831 623099126 /nfs/dbraw/zinc/09/91/26/623099126.db2.gz DRQBFPHPJYDXRD-GXTWGEPZSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538300 623112030 /nfs/dbraw/zinc/11/20/30/623112030.db2.gz GNUDBPCBKOMHKE-XYPHTWIQSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000229938612 623235046 /nfs/dbraw/zinc/23/50/46/623235046.db2.gz SEGDNFNEZCMGBI-DOTOQJQBSA-N 3 0 281.488 2.619 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062078700 623246955 /nfs/dbraw/zinc/24/69/55/623246955.db2.gz ZBPHGEQAFYXYIS-JKSUJKDBSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](O)c1ccccc1Cl)C[NH+]1CCCC1 ZINC000062071604 623247353 /nfs/dbraw/zinc/24/73/53/623247353.db2.gz LHJMTGRWRZGZNS-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP COc1ccccc1CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862401 623300751 /nfs/dbraw/zinc/30/07/51/623300751.db2.gz FGXKCJHPSGTKRK-INIZCTEOSA-N 2 0 262.397 2.517 20 0 CFADRP CN(Cc1cccc(Cl)c1)C[C@]1(C)CC[NH2+]C1 ZINC000062911540 623306228 /nfs/dbraw/zinc/30/62/28/623306228.db2.gz GUYOSIFDYMJTAE-CQSZACIVSA-N 2 0 252.789 2.771 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000173559782 623357709 /nfs/dbraw/zinc/35/77/09/623357709.db2.gz REELGUHMIGJIHS-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP CC1CC(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000929429336 623435762 /nfs/dbraw/zinc/43/57/62/623435762.db2.gz ZJQAXUGFFFXNGW-ZTOOSOLZSA-N 2 0 293.499 2.523 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccncc3F)C2)CC1 ZINC000824333214 623492054 /nfs/dbraw/zinc/49/20/54/623492054.db2.gz UODZDNWHQGXFEP-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(Cl)Cl ZINC000824771372 623562235 /nfs/dbraw/zinc/56/22/35/623562235.db2.gz BRCBVFRXLVVBSQ-GRYCIOLGSA-N 2 0 277.239 2.787 20 0 CFADRP C1CC1[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000914436466 623854997 /nfs/dbraw/zinc/85/49/97/623854997.db2.gz VTNLDDNDTCMJQR-ROUUACIJSA-N 2 0 292.467 2.798 20 0 CFADRP C1CC1[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000914436464 623855147 /nfs/dbraw/zinc/85/51/47/623855147.db2.gz VTNLDDNDTCMJQR-MSOLQXFVSA-N 2 0 292.467 2.798 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@H]21 ZINC000929846711 623934868 /nfs/dbraw/zinc/93/48/68/623934868.db2.gz JIOAYDTVCLBXPI-UXXRCYHCSA-N 2 0 284.394 2.694 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827426085 624001991 /nfs/dbraw/zinc/00/19/91/624001991.db2.gz PLKFHLMQTMKVIT-LBPRGKRZSA-N 2 0 279.255 2.844 20 0 CFADRP Cc1ccc(OCC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000000019738 624371114 /nfs/dbraw/zinc/37/11/14/624371114.db2.gz SOYZYSCDAQRTLV-UHFFFAOYSA-N 2 0 276.424 2.647 20 0 CFADRP Cc1nc(C)c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000930037501 624484956 /nfs/dbraw/zinc/48/49/56/624484956.db2.gz KYTMUQLNMDKYEJ-QGZVFWFLSA-N 2 0 298.434 2.733 20 0 CFADRP c1cc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)sn1 ZINC000930061647 624534410 /nfs/dbraw/zinc/53/44/10/624534410.db2.gz UNSYNIMFIUCFIK-BBRMVZONSA-N 2 0 291.464 2.634 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@]3(C)CC3(Cl)Cl)C2)C1 ZINC000830027946 624603073 /nfs/dbraw/zinc/60/30/73/624603073.db2.gz CMXVUWHYJBTVSM-STQMWFEESA-N 2 0 291.266 2.988 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000830170666 624653769 /nfs/dbraw/zinc/65/37/69/624653769.db2.gz NOLIYRPPQMJDDJ-IXDOHACOSA-N 2 0 294.483 2.591 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000830170665 624654013 /nfs/dbraw/zinc/65/40/13/624654013.db2.gz NOLIYRPPQMJDDJ-GVDBMIGSSA-N 2 0 294.483 2.591 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000925477631 624676433 /nfs/dbraw/zinc/67/64/33/624676433.db2.gz CJTSRLPJYWGILI-MAUKXSAKSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762022 625773067 /nfs/dbraw/zinc/77/30/67/625773067.db2.gz ABJIPAJZYTZORL-CVEARBPZSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC[N@@H+]1C ZINC000834882751 625908348 /nfs/dbraw/zinc/90/83/48/625908348.db2.gz ASVQFPPASOSARL-GMTAPVOTSA-N 2 0 265.228 2.643 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000921527968 625978524 /nfs/dbraw/zinc/97/85/24/625978524.db2.gz QXCZXVXBPOGZFL-AWEZNQCLSA-N 2 0 274.408 2.578 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921540368 625980943 /nfs/dbraw/zinc/98/09/43/625980943.db2.gz GVYTWDFZCQLTOL-GJZGRUSLSA-N 2 0 291.439 2.635 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](SC)C2)C1 ZINC000921546916 625984396 /nfs/dbraw/zinc/98/43/96/625984396.db2.gz JEJIPLDERUGCDC-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(Cl)n[nH]c2CC)CC1 ZINC000921685979 626077372 /nfs/dbraw/zinc/07/73/72/626077372.db2.gz CYYLNBDJBHGASZ-UHFFFAOYSA-N 2 0 298.862 2.837 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](SC)C2)CC1 ZINC000921686842 626079348 /nfs/dbraw/zinc/07/93/48/626079348.db2.gz PSVAILSDHFJTGN-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000921920518 626178650 /nfs/dbraw/zinc/17/86/50/626178650.db2.gz QGMIZBBYSOCSKL-UHFFFAOYSA-N 2 0 298.862 2.836 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921978404 626189660 /nfs/dbraw/zinc/18/96/60/626189660.db2.gz JBJPIUQWMYMCQT-UHFFFAOYSA-N 2 0 296.846 2.762 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000922138271 626215276 /nfs/dbraw/zinc/21/52/76/626215276.db2.gz IGDFRJSPLAKOQO-MCIONIFRSA-N 2 0 258.475 2.979 20 0 CFADRP CCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925354211 626225788 /nfs/dbraw/zinc/22/57/88/626225788.db2.gz VBKSYZMFCWRYMS-HNSVSWJLSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CC1 ZINC000922172083 626230533 /nfs/dbraw/zinc/23/05/33/626230533.db2.gz QADAMHBRVSRMFS-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000929274806 626231393 /nfs/dbraw/zinc/23/13/93/626231393.db2.gz AWSGAYOBICSQMP-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP c1nn(C2CCC2)cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000922178540 626231880 /nfs/dbraw/zinc/23/18/80/626231880.db2.gz OZTOUAIXSIHPJM-UHFFFAOYSA-N 2 0 281.363 2.546 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000922222987 626244332 /nfs/dbraw/zinc/24/43/32/626244332.db2.gz GBMXCBUWCZYBLB-MQYQWHSLSA-N 2 0 256.459 2.590 20 0 CFADRP CCCc1ccc(CNC[C@H](C[NH+](C)C)OCC)s1 ZINC000922756619 626359277 /nfs/dbraw/zinc/35/92/77/626359277.db2.gz QQUGXVYTPUMUFW-CYBMUJFWSA-N 2 0 284.469 2.757 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC000922840499 626377725 /nfs/dbraw/zinc/37/77/25/626377725.db2.gz ZSEJOCYQCPPJDY-JHJVBQTASA-N 2 0 256.459 2.733 20 0 CFADRP Cc1ccncc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922844614 626380405 /nfs/dbraw/zinc/38/04/05/626380405.db2.gz GVQWJPHHILDMAH-UHFFFAOYSA-N 2 0 273.424 2.887 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C12CCC2 ZINC000922845156 626380641 /nfs/dbraw/zinc/38/06/41/626380641.db2.gz CDINMSZKCCGIQS-VUROTCPHSA-N 2 0 292.467 2.941 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923298106 626464165 /nfs/dbraw/zinc/46/41/65/626464165.db2.gz LXGRIEKFWBNVBN-WBVHZDCISA-N 2 0 288.435 2.666 20 0 CFADRP OCCC[N@H+](CCC[NH2+]C1CC1)[C@@H]1CCc2ccccc21 ZINC000923317095 626465233 /nfs/dbraw/zinc/46/52/33/626465233.db2.gz YOEFTIZNUIWKRY-GOSISDBHSA-N 2 0 288.435 2.500 20 0 CFADRP C[N@H+](CCC[NH2+]C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000923316484 626465238 /nfs/dbraw/zinc/46/52/38/626465238.db2.gz VBSKREAPALAVGT-QGZVFWFLSA-N 2 0 258.409 2.618 20 0 CFADRP CCC[N@H+](CCc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000923328978 626466272 /nfs/dbraw/zinc/46/62/72/626466272.db2.gz YXDIDYDNUYFOFU-UHFFFAOYSA-N 2 0 264.388 2.832 20 0 CFADRP C(C[NH2+]C1CC1)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000923322847 626466495 /nfs/dbraw/zinc/46/64/95/626466495.db2.gz AQQGRANZLWQCLV-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP CC1([NH3+])CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923346048 626468407 /nfs/dbraw/zinc/46/84/07/626468407.db2.gz MVKXLYOLWGLPJV-SFHVURJKSA-N 2 0 298.430 2.556 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000923368691 626468945 /nfs/dbraw/zinc/46/89/45/626468945.db2.gz ANDFSHSCTIMQQM-YNBOMUFVSA-N 2 0 285.435 2.792 20 0 CFADRP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000923376749 626469336 /nfs/dbraw/zinc/46/93/36/626469336.db2.gz FLMBFFNSUWXFAZ-NPYXIHBLSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cncc(F)c1 ZINC000923378827 626469361 /nfs/dbraw/zinc/46/93/61/626469361.db2.gz NEVWROUADBKQKT-OKSWLAIDSA-N 2 0 277.387 2.792 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000923416485 626471053 /nfs/dbraw/zinc/47/10/53/626471053.db2.gz XFXQEDKYLJXDTL-WBVHZDCISA-N 2 0 282.472 2.625 20 0 CFADRP [NH3+][C@@H]1CCCCCN(CCc2cccc(F)c2)C1 ZINC000923412690 626471277 /nfs/dbraw/zinc/47/12/77/626471277.db2.gz SMZIXUMLYOXDOX-OAHLLOKOSA-N 2 0 250.361 2.572 20 0 CFADRP C[C@@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)CC(C)(C)C ZINC000923444263 626473128 /nfs/dbraw/zinc/47/31/28/626473128.db2.gz IDEGYVHXKFCROH-HUUCEWRRSA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCC1CCCCC1)CC2 ZINC000923448663 626473394 /nfs/dbraw/zinc/47/33/94/626473394.db2.gz FLBMOOFMFWZWMZ-MRXNPFEDSA-N 2 0 280.456 2.787 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456415 626473760 /nfs/dbraw/zinc/47/37/60/626473760.db2.gz PFGRWERNTBPTRZ-GDBMZVCRSA-N 2 0 274.408 2.577 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)s1 ZINC000923451049 626474097 /nfs/dbraw/zinc/47/40/97/626474097.db2.gz JKJKKOOMMZORKR-OAHLLOKOSA-N 2 0 294.464 2.695 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000923478982 626475887 /nfs/dbraw/zinc/47/58/87/626475887.db2.gz KYQXSIXDWPIWGS-NJAFHUGGSA-N 2 0 288.435 2.968 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000923480506 626475960 /nfs/dbraw/zinc/47/59/60/626475960.db2.gz HXOVNYBJVAOTSI-SNVBAGLBSA-N 2 0 288.313 2.598 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000923481202 626476013 /nfs/dbraw/zinc/47/60/13/626476013.db2.gz NRCSFCXCBWCRAS-JTQLQIEISA-N 2 0 288.313 2.598 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1C[NH3+] ZINC000923495639 626476247 /nfs/dbraw/zinc/47/62/47/626476247.db2.gz DCHXOYXJVCIICK-TZMCWYRMSA-N 2 0 258.365 2.850 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000923483885 626476397 /nfs/dbraw/zinc/47/63/97/626476397.db2.gz RNUDFWDWPBWSJS-LLVKDONJSA-N 2 0 277.393 2.574 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496115 626476517 /nfs/dbraw/zinc/47/65/17/626476517.db2.gz GRXPPQSABFZZNE-MDZLAQPJSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2ccsc2)CC[C@H]1C[NH3+] ZINC000923496047 626476565 /nfs/dbraw/zinc/47/65/65/626476565.db2.gz ZCMNFNQTTVKSGB-OCCSQVGLSA-N 2 0 252.427 2.597 20 0 CFADRP C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923494482 626476962 /nfs/dbraw/zinc/47/69/62/626476962.db2.gz NHTPXTGUMUCSJC-MNOVXSKESA-N 2 0 252.324 2.636 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)CC[C@@H]1C[NH3+] ZINC000923498603 626477127 /nfs/dbraw/zinc/47/71/27/626477127.db2.gz HTERUZGZCYWQBD-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498936 626477160 /nfs/dbraw/zinc/47/71/60/626477160.db2.gz QXACRYPEMWTJRQ-RYUDHWBXSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498397 626477174 /nfs/dbraw/zinc/47/71/74/626477174.db2.gz HSFOZIDWGIAOFQ-FRRDWIJNSA-N 2 0 279.428 2.950 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500264 626477293 /nfs/dbraw/zinc/47/72/93/626477293.db2.gz NCXIFLLVBQBHRO-JSGCOSHPSA-N 2 0 299.418 2.576 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)c1 ZINC000923499787 626477385 /nfs/dbraw/zinc/47/73/85/626477385.db2.gz UEXUEOPRCDYWPB-NEPJUHHUSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500291 626477515 /nfs/dbraw/zinc/47/75/15/626477515.db2.gz WISUOLYQLVUDEP-WOPDTQHZSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923504683 626477614 /nfs/dbraw/zinc/47/76/14/626477614.db2.gz SSORRFUDRZQPEF-QWHCGFSZSA-N 2 0 282.815 2.636 20 0 CFADRP C([C@@H]1CCCCO1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505708 626477692 /nfs/dbraw/zinc/47/76/92/626477692.db2.gz DCRFLHRCYFBPOL-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP COCC[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505013 626477740 /nfs/dbraw/zinc/47/77/40/626477740.db2.gz KNQOFVKEMYGFET-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP Nc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923507519 626477902 /nfs/dbraw/zinc/47/79/02/626477902.db2.gz OUQQCCNRXNWTEO-MRXNPFEDSA-N 2 0 287.451 2.871 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923521069 626478478 /nfs/dbraw/zinc/47/84/78/626478478.db2.gz ZBSNKONAOBYHRZ-UONOGXRCSA-N 2 0 294.826 2.650 20 0 CFADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000923526444 626478546 /nfs/dbraw/zinc/47/85/46/626478546.db2.gz QMBVBRSGKYIUTM-RLAWYHOSSA-N 2 0 272.383 2.884 20 0 CFADRP C(=C\[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)\c1ccccc1 ZINC000923525975 626478597 /nfs/dbraw/zinc/47/85/97/626478597.db2.gz MBPUUCOWGOSDRO-ICUWKNINSA-N 2 0 298.430 2.685 20 0 CFADRP CCOC(=O)CC(C)(C)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000838847876 626510442 /nfs/dbraw/zinc/51/04/42/626510442.db2.gz CXEMWOZVMWGEQY-HNNXBMFYSA-N 2 0 298.471 2.630 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000757673765 626557521 /nfs/dbraw/zinc/55/75/21/626557521.db2.gz IWGVSTMEIYONJX-CYBMUJFWSA-N 2 0 299.846 2.744 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000757889543 626567050 /nfs/dbraw/zinc/56/70/50/626567050.db2.gz ZEFOQICSZJMMAS-UHFFFAOYSA-N 2 0 283.419 2.818 20 0 CFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCF)CC1 ZINC000759337738 626646678 /nfs/dbraw/zinc/64/66/78/626646678.db2.gz GBGSRMFQBWOZEX-UHFFFAOYSA-N 2 0 264.388 2.800 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000760955609 626788182 /nfs/dbraw/zinc/78/81/82/626788182.db2.gz UBAXIMWAXWHLFR-GOEBONIOSA-N 2 0 270.420 2.790 20 0 CFADRP C[N@H+](CCOC(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793342 634531928 /nfs/dbraw/zinc/53/19/28/634531928.db2.gz VBDVPJWCAIYAPS-HNNXBMFYSA-N 2 0 298.377 2.680 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOCc2ccccc2)[C@H](C)C1 ZINC000764697054 627084838 /nfs/dbraw/zinc/08/48/38/627084838.db2.gz ULNALDHOJZSUSH-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2F)[C@@H](C)C1 ZINC000764930340 627106929 /nfs/dbraw/zinc/10/69/29/627106929.db2.gz SJLXYCTVJJKIJF-HOCLYGCPSA-N 2 0 294.414 2.915 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccnc(Cl)c1 ZINC000765448048 627138749 /nfs/dbraw/zinc/13/87/49/627138749.db2.gz XMPXIZCXTUTSGL-NSHDSACASA-N 2 0 255.793 2.727 20 0 CFADRP COc1ccc2c(NCC[N@H+](C)C(C)C)cc[nH+]c2c1 ZINC000765485588 627141282 /nfs/dbraw/zinc/14/12/82/627141282.db2.gz KUKIAQUACGLXKM-UHFFFAOYSA-N 2 0 273.380 2.996 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000765849046 627161097 /nfs/dbraw/zinc/16/10/97/627161097.db2.gz MJBYSPYNTBDQIY-ZBFHGGJFSA-N 2 0 275.440 2.715 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000766511179 627206698 /nfs/dbraw/zinc/20/66/98/627206698.db2.gz MFSZCCQGTXHHGQ-PBHCIXSXSA-N 3 0 293.499 2.856 20 0 CFADRP CC[C@H](COC)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766512152 627206794 /nfs/dbraw/zinc/20/67/94/627206794.db2.gz JETWVVAMCUMQLA-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCC(C)=O)CC1)CC1CC1 ZINC000771476306 627607317 /nfs/dbraw/zinc/60/73/17/627607317.db2.gz XUSNFJZTILRLOG-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000774108826 627888908 /nfs/dbraw/zinc/88/89/08/627888908.db2.gz ISGSRJNUDFGAPA-WTXIUTQJSA-N 2 0 293.480 2.566 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000774393470 627920587 /nfs/dbraw/zinc/92/05/87/627920587.db2.gz PEGPZGKRFJUKBC-INIZCTEOSA-N 2 0 294.414 2.712 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775361377 628015631 /nfs/dbraw/zinc/01/56/31/628015631.db2.gz KCRAVGHMZAABLB-HZSPNIEDSA-N 2 0 288.526 2.688 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776166541 628109630 /nfs/dbraw/zinc/10/96/30/628109630.db2.gz AZVPVFHCIKOXEC-KRWDZBQOSA-N 2 0 256.393 2.834 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCOC1 ZINC000780052267 628429368 /nfs/dbraw/zinc/42/93/68/628429368.db2.gz KFMGZCAFANVXCY-QGZVFWFLSA-N 2 0 282.472 2.713 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)CC1CC[NH+](C)CC1 ZINC000780287675 628451443 /nfs/dbraw/zinc/45/14/43/628451443.db2.gz SPANHTZPDNWBML-KRWDZBQOSA-N 2 0 272.436 2.990 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3c(c1)COC3)C2 ZINC000852104766 634658681 /nfs/dbraw/zinc/65/86/81/634658681.db2.gz FMMKGSXITRBNID-GOSISDBHSA-N 2 0 286.419 2.635 20 0 CFADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCCC1 ZINC000781924306 628591557 /nfs/dbraw/zinc/59/15/57/628591557.db2.gz PMRLNJMVCMATNW-GOSISDBHSA-N 2 0 288.435 2.676 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782182995 628611339 /nfs/dbraw/zinc/61/13/39/628611339.db2.gz HRCDDAWLTOQEHP-HZPDHXFCSA-N 2 0 282.472 2.854 20 0 CFADRP c1cc(N2CCC(C[NH2+][C@@H]3CCCSC3)CC2)cc[nH+]1 ZINC000783517784 628715717 /nfs/dbraw/zinc/71/57/17/628715717.db2.gz KFVRWCGQXRACKY-OAHLLOKOSA-N 2 0 291.464 2.783 20 0 CFADRP CCS[C@H]1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000788480622 629073058 /nfs/dbraw/zinc/07/30/58/629073058.db2.gz BRPPTAQWSUZUBN-GJZGRUSLSA-N 2 0 270.486 2.934 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000788480624 629073298 /nfs/dbraw/zinc/07/32/98/629073298.db2.gz BRPPTAQWSUZUBN-LSDHHAIUSA-N 2 0 270.486 2.934 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788508125 629076257 /nfs/dbraw/zinc/07/62/57/629076257.db2.gz UHGYAIOPVZHRCB-OAHLLOKOSA-N 2 0 299.418 2.960 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000788573366 629082896 /nfs/dbraw/zinc/08/28/96/629082896.db2.gz PMHMFIJJAVMLDD-CYBMUJFWSA-N 2 0 277.412 2.702 20 0 CFADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc[nH]c(=O)c1 ZINC000788612865 629086621 /nfs/dbraw/zinc/08/66/21/629086621.db2.gz WGRCKIJGTALJSN-TZMCWYRMSA-N 2 0 279.428 2.804 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000793526381 629561623 /nfs/dbraw/zinc/56/16/23/629561623.db2.gz RGGYPPZFNBLNMK-HOCLYGCPSA-N 2 0 292.471 2.891 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC000795338390 629763361 /nfs/dbraw/zinc/76/33/61/629763361.db2.gz OOLANZWNMBVRDU-MRXNPFEDSA-N 2 0 262.372 2.684 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](O)c2ccccc2)C[C@@H]1C ZINC000795926278 629851752 /nfs/dbraw/zinc/85/17/52/629851752.db2.gz FFMRSCQNNLFFBC-RYQLBKOJSA-N 2 0 290.451 2.915 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000797060345 630011514 /nfs/dbraw/zinc/01/15/14/630011514.db2.gz LXHCWJDOCUVUSD-DZJNRPSUSA-N 2 0 288.435 2.633 20 0 CFADRP CCCCC[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000110757809 634795700 /nfs/dbraw/zinc/79/57/00/634795700.db2.gz HCXPEPNPFJGRPN-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1ccnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178596 630283895 /nfs/dbraw/zinc/28/38/95/630283895.db2.gz WWQPLVPGZZDUAN-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CC(C)n1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799177245 630284292 /nfs/dbraw/zinc/28/42/92/630284292.db2.gz NSZMITNNVNCXFQ-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000800992620 630421229 /nfs/dbraw/zinc/42/12/29/630421229.db2.gz JCPCLHDRZNPVDP-CRAIPNDOSA-N 2 0 290.451 2.657 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCSC(C)(C)C)C1 ZINC000801923704 630488889 /nfs/dbraw/zinc/48/88/89/630488889.db2.gz BOYJBWDPYLJEJN-ZDUSSCGKSA-N 2 0 258.475 2.792 20 0 CFADRP C[C@H]1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000802309257 630525923 /nfs/dbraw/zinc/52/59/23/630525923.db2.gz PPCZNFHXXJUOGK-MELXAWMUSA-N 2 0 280.456 2.795 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC000852753883 634825455 /nfs/dbraw/zinc/82/54/55/634825455.db2.gz UUJQDFRGTOWQDZ-WOPDTQHZSA-N 2 0 293.238 2.666 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000808721387 631036121 /nfs/dbraw/zinc/03/61/21/631036121.db2.gz LWSTYANFMDIHFO-YOEHRIQHSA-N 2 0 290.451 2.961 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000809606531 631245107 /nfs/dbraw/zinc/24/51/07/631245107.db2.gz WAFSHVOOAMHUIO-IRXDYDNUSA-N 2 0 273.424 2.539 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809737423 631274695 /nfs/dbraw/zinc/27/46/95/631274695.db2.gz HONMWTDFURRRGL-YJBOKZPZSA-N 2 0 290.451 2.995 20 0 CFADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ncc(CN(C)C)s1 ZINC000809768240 631285076 /nfs/dbraw/zinc/28/50/76/631285076.db2.gz FSOMLWKUCOYBFK-VXGBXAGGSA-N 2 0 267.442 2.968 20 0 CFADRP FC(F)Sc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000841027180 631308838 /nfs/dbraw/zinc/30/88/38/631308838.db2.gz YUINCTSXZXJKIF-UHFFFAOYSA-N 2 0 272.364 2.843 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000841032104 631312534 /nfs/dbraw/zinc/31/25/34/631312534.db2.gz KXJSUWBHRSRBCS-UHFFFAOYSA-N 2 0 276.330 2.756 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(C)c1OC(F)F ZINC000841032668 631314123 /nfs/dbraw/zinc/31/41/23/631314123.db2.gz IUILYIKLNNVAQO-ZDUSSCGKSA-N 2 0 298.377 2.994 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H](C)CCC[NH3+])oc21 ZINC000841078378 631332011 /nfs/dbraw/zinc/33/20/11/631332011.db2.gz CDANTHUFPGGALT-LLVKDONJSA-N 2 0 262.353 2.658 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841081154 631333087 /nfs/dbraw/zinc/33/30/87/631333087.db2.gz XCPGHOALVFYRLT-AWEZNQCLSA-N 2 0 280.799 2.580 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000841084133 631334350 /nfs/dbraw/zinc/33/43/50/631334350.db2.gz GYTFQEDGFYUNRD-GXFFZTMASA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000841096009 631338429 /nfs/dbraw/zinc/33/84/29/631338429.db2.gz QMNLUYMWQFLLBA-CCKFTAQKSA-N 2 0 298.430 2.993 20 0 CFADRP C[C@@H](CCO)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810261326 631351992 /nfs/dbraw/zinc/35/19/92/631351992.db2.gz UZGPHCMHFMQORL-WMZOPIPTSA-N 2 0 290.451 2.649 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000842471489 631638294 /nfs/dbraw/zinc/63/82/94/631638294.db2.gz DUFMSBOIFWPOIK-UHFFFAOYSA-N 2 0 278.396 2.756 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000842471628 631639517 /nfs/dbraw/zinc/63/95/17/631639517.db2.gz NFJHPQWWHTWVSC-CYBMUJFWSA-N 2 0 296.377 2.939 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000842472578 631639588 /nfs/dbraw/zinc/63/95/88/631639588.db2.gz FKWWLVIOSNAAJA-KRWDZBQOSA-N 2 0 276.424 2.969 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccn(-c2ccccc2)n1 ZINC000842472539 631639823 /nfs/dbraw/zinc/63/98/23/631639823.db2.gz YRTRBCMYJGDGQS-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP CC(C)c1ncc(CN(C2CC2)C2CC[NH2+]CC2)s1 ZINC000843044081 631811526 /nfs/dbraw/zinc/81/15/26/631811526.db2.gz SFRIMGFNEJFWQJ-UHFFFAOYSA-N 2 0 279.453 2.983 20 0 CFADRP CCn1c2ccccc2nc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843056074 631818841 /nfs/dbraw/zinc/81/88/41/631818841.db2.gz XNTGEWLFLIVBDP-UHFFFAOYSA-N 2 0 286.423 2.758 20 0 CFADRP C[N@H+](Cc1nccn1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843055127 631819182 /nfs/dbraw/zinc/81/91/82/631819182.db2.gz RZUIZKRTWJAANU-UHFFFAOYSA-N 2 0 284.407 2.574 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000843104181 631835897 /nfs/dbraw/zinc/83/58/97/631835897.db2.gz GZJPBSVGKSYEFX-UHFFFAOYSA-N 2 0 285.391 2.603 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000843104895 631836845 /nfs/dbraw/zinc/83/68/45/631836845.db2.gz OLUXLSGRMIKPET-UHFFFAOYSA-N 2 0 279.331 2.521 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843119017 631839729 /nfs/dbraw/zinc/83/97/29/631839729.db2.gz SQDWCYZBATWXQP-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000843126149 631845620 /nfs/dbraw/zinc/84/56/20/631845620.db2.gz BECGHVAHUOPTAX-UHFFFAOYSA-N 2 0 292.452 2.882 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000843125745 631845893 /nfs/dbraw/zinc/84/58/93/631845893.db2.gz HBUVWOKWOBAIEZ-SOUVJXGZSA-N 2 0 262.372 2.612 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000843127541 631846596 /nfs/dbraw/zinc/84/65/96/631846596.db2.gz DVOFUIIHFBRVAR-SJORKVTESA-N 2 0 275.440 2.588 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000843127384 631846940 /nfs/dbraw/zinc/84/69/40/631846940.db2.gz QMBPRCSVZHSJCM-CQSZACIVSA-N 2 0 279.815 2.557 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CCCCCC[NH3+])n1 ZINC000843128150 631847361 /nfs/dbraw/zinc/84/73/61/631847361.db2.gz URLUVVBRRJZAKB-AWEZNQCLSA-N 2 0 266.433 2.504 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ccc2ncccc2c1 ZINC000843127757 631847369 /nfs/dbraw/zinc/84/73/69/631847369.db2.gz HZVKRDCXWSLHJU-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP C[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[NH+]1CCCCCC1 ZINC000843136397 631852864 /nfs/dbraw/zinc/85/28/64/631852864.db2.gz XDGKXIHECJDHLD-ZDUSSCGKSA-N 2 0 292.427 2.549 20 0 CFADRP [NH3+][C@H]1C[C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000843174417 631877714 /nfs/dbraw/zinc/87/77/14/631877714.db2.gz ZQHSOUFPXOWNOF-GASCZTMLSA-N 2 0 298.390 2.537 20 0 CFADRP CC[C@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cn1 ZINC000843341473 631931171 /nfs/dbraw/zinc/93/11/71/631931171.db2.gz IQLKJTABHREDKD-ZDUSSCGKSA-N 2 0 253.365 2.781 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCCCCC[NH3+])CCC2 ZINC000843341953 631932696 /nfs/dbraw/zinc/93/26/96/631932696.db2.gz LZJIPVHLBJAMCF-GFCCVEGCSA-N 2 0 267.442 2.938 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000843355026 631936149 /nfs/dbraw/zinc/93/61/49/631936149.db2.gz AOVSMWQIAVBFKQ-INIZCTEOSA-N 2 0 264.413 2.937 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccc2c(c1)CCO2 ZINC000843360134 631938385 /nfs/dbraw/zinc/93/83/85/631938385.db2.gz APWXQGIGWBUQFS-ALOPSCKCSA-N 2 0 286.419 2.508 20 0 CFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCF ZINC000843376378 631941358 /nfs/dbraw/zinc/94/13/58/631941358.db2.gz BZBLQJOZDJUGTK-CVEARBPZSA-N 2 0 264.388 2.628 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000843389070 631943421 /nfs/dbraw/zinc/94/34/21/631943421.db2.gz PILYNQYKHMVFOA-INIZCTEOSA-N 2 0 273.424 2.651 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccn1 ZINC000843388463 631943890 /nfs/dbraw/zinc/94/38/90/631943890.db2.gz OHAANMHNRDRDMF-ZIAGYGMSSA-N 2 0 279.815 2.557 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCc3cccs3)C2)C1 ZINC000815145339 632216749 /nfs/dbraw/zinc/21/67/49/632216749.db2.gz RUMFVRVAXIFMEP-HNNXBMFYSA-N 2 0 264.438 2.708 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)[C@@H]1CC[NH3+] ZINC000844900704 632330606 /nfs/dbraw/zinc/33/06/06/632330606.db2.gz CWIVVYWJAJWLBW-SUMWQHHRSA-N 2 0 274.408 2.666 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000844922439 632332915 /nfs/dbraw/zinc/33/29/15/632332915.db2.gz FGNZEJDPIINEQS-IJLUTSLNSA-N 2 0 250.789 2.798 20 0 CFADRP C[C@@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]1(F)Cl ZINC000844923172 632338153 /nfs/dbraw/zinc/33/81/53/632338153.db2.gz HYCODBOLGGVBJE-KTCIRNNBSA-N 2 0 260.784 2.564 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)ccc1OC ZINC000844922068 632336667 /nfs/dbraw/zinc/33/66/67/632336667.db2.gz KTKVAPBLWWBGAI-CYBMUJFWSA-N 2 0 292.423 2.621 20 0 CFADRP CCc1nocc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000816598837 632492213 /nfs/dbraw/zinc/49/22/13/632492213.db2.gz RREZPDHUDAFNDU-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP C[C@@H](O)C[N@H+](CCCCCC[NH3+])C1CCCCC1 ZINC000846218086 632664896 /nfs/dbraw/zinc/66/48/96/632664896.db2.gz LLFFLWXYOJLDSH-CQSZACIVSA-N 2 0 256.434 2.521 20 0 CFADRP CO[C@@]1(C)C[C@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219556 632665417 /nfs/dbraw/zinc/66/54/17/632665417.db2.gz SKIGEDGYQAPKRN-ZFWWWQNUSA-N 2 0 256.434 2.641 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000846220759 632666859 /nfs/dbraw/zinc/66/68/59/632666859.db2.gz PQKFNENWSHVELU-SFHVURJKSA-N 2 0 290.451 2.839 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCCCCC[NH3+] ZINC000846222254 632667266 /nfs/dbraw/zinc/66/72/66/632667266.db2.gz BSFKGSZRNDPUJI-CABCVRRESA-N 2 0 256.434 2.689 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CCCCCC[NH3+])C1 ZINC000846223096 632668166 /nfs/dbraw/zinc/66/81/66/632668166.db2.gz GPDAJERZYDXPIG-OAHLLOKOSA-N 2 0 256.434 2.644 20 0 CFADRP Cc1nc(C2([NH2+]CCCCCC[NH3+])CCCCC2)no1 ZINC000846224507 632668282 /nfs/dbraw/zinc/66/82/82/632668282.db2.gz YXWLHHMIDLDMNX-UHFFFAOYSA-N 2 0 280.416 2.646 20 0 CFADRP C[C@@H]1COc2ccccc2C[N@@H+]1CCCCCC[NH3+] ZINC000846224512 632668913 /nfs/dbraw/zinc/66/89/13/632668913.db2.gz YZBUOVXYBUMWRQ-CQSZACIVSA-N 2 0 262.397 2.789 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCSC(F)(F)F ZINC000817889556 632718068 /nfs/dbraw/zinc/71/80/68/632718068.db2.gz PJQJZSBESCGBFY-QMMMGPOBSA-N 2 0 293.358 2.752 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000817889391 632718479 /nfs/dbraw/zinc/71/84/79/632718479.db2.gz UGDKKAUFDDIKDO-PBHICJAKSA-N 2 0 276.424 2.952 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000817893679 632719995 /nfs/dbraw/zinc/71/99/95/632719995.db2.gz UHDZTMPYBTVNHV-ACJLOTCBSA-N 2 0 299.418 2.541 20 0 CFADRP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000817894633 632720748 /nfs/dbraw/zinc/72/07/48/632720748.db2.gz OFHAMMBEQVXSTI-RHSMWYFYSA-N 2 0 294.439 2.614 20 0 CFADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817894989 632720912 /nfs/dbraw/zinc/72/09/12/632720912.db2.gz QBSIQZSVPOTMFV-PBHICJAKSA-N 2 0 294.439 2.614 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000817897306 632721948 /nfs/dbraw/zinc/72/19/48/632721948.db2.gz JXFPSIUZEMGDDK-SCDSUCTJSA-N 2 0 279.453 2.783 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000817897560 632722250 /nfs/dbraw/zinc/72/22/50/632722250.db2.gz RYFVUTOUQVKDPQ-RYRKJORJSA-N 2 0 287.451 2.681 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000817912609 632730781 /nfs/dbraw/zinc/73/07/81/632730781.db2.gz HQUNIBCBHYTUCH-KLHDSHLOSA-N 2 0 292.423 2.522 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000817913045 632731105 /nfs/dbraw/zinc/73/11/05/632731105.db2.gz NFENKBXICGJIGR-MQYQWHSLSA-N 2 0 282.453 2.810 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000817913997 632731230 /nfs/dbraw/zinc/73/12/30/632731230.db2.gz UYAYPAVHEQNALD-RFGFWPKPSA-N 2 0 282.453 2.667 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817912373 632731282 /nfs/dbraw/zinc/73/12/82/632731282.db2.gz IJLSDXFCZATDKR-MQYQWHSLSA-N 2 0 282.453 2.538 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000817911520 632731333 /nfs/dbraw/zinc/73/13/33/632731333.db2.gz AADOGUJQYXWHKP-JHJVBQTASA-N 2 0 270.442 2.667 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000817914796 632732420 /nfs/dbraw/zinc/73/24/20/632732420.db2.gz ZWESRJLQBMGZRA-PMPSAXMXSA-N 2 0 288.416 2.690 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]2(O)CCc3ccccc32)c2ccccc21 ZINC000817918081 632733508 /nfs/dbraw/zinc/73/35/08/632733508.db2.gz SPSOTKBYVANOMG-CEXWTWQISA-N 2 0 294.398 2.555 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC000817924083 632736532 /nfs/dbraw/zinc/73/65/32/632736532.db2.gz RHPPEAMVOICHQR-SRVKXCTJSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817935340 632736891 /nfs/dbraw/zinc/73/68/91/632736891.db2.gz CBLQHRXFIVWARM-LPEHRKFASA-N 2 0 253.217 2.676 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000817927000 632738217 /nfs/dbraw/zinc/73/82/17/632738217.db2.gz XMZVTXOOXLCUNX-NJAFHUGGSA-N 2 0 290.451 2.929 20 0 CFADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)c1ccccc1 ZINC000817928256 632738767 /nfs/dbraw/zinc/73/87/67/632738767.db2.gz ZIOAUFBTBRJMHJ-MPBYHJMHSA-N 2 0 288.435 2.617 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817936250 632741977 /nfs/dbraw/zinc/74/19/77/632741977.db2.gz JBURAHYMBGAZKL-UTUOFQBUSA-N 2 0 279.255 2.938 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1C ZINC000817936396 632742131 /nfs/dbraw/zinc/74/21/31/632742131.db2.gz OCSMVEDSJVVKQX-ZDUSSCGKSA-N 2 0 262.397 2.715 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000817942205 632745539 /nfs/dbraw/zinc/74/55/39/632745539.db2.gz YNVKASLGRKDKQZ-CYBMUJFWSA-N 2 0 250.386 2.572 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000817949227 632750097 /nfs/dbraw/zinc/75/00/97/632750097.db2.gz PTPGQCPQWVZNPW-KRWDZBQOSA-N 2 0 281.403 2.750 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)C1CCSCC1 ZINC000817949235 632750740 /nfs/dbraw/zinc/75/07/40/632750740.db2.gz QBISLJMRTVGVHP-ZDUSSCGKSA-N 2 0 278.465 2.809 20 0 CFADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817952768 632752922 /nfs/dbraw/zinc/75/29/22/632752922.db2.gz MELLJQSPOCDVMP-WFASDCNBSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cccnc1Cl ZINC000817961102 632761050 /nfs/dbraw/zinc/76/10/50/632761050.db2.gz UPWLJDIYOPNDPX-DMDPSCGWSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccnc1Cl ZINC000817964997 632762634 /nfs/dbraw/zinc/76/26/34/632762634.db2.gz MFXCRVYPKSFGOZ-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)nc1 ZINC000817970104 632768413 /nfs/dbraw/zinc/76/84/13/632768413.db2.gz LHWZEJAXUURMCA-ZMLRMANQSA-N 2 0 253.777 2.656 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000817970054 632768668 /nfs/dbraw/zinc/76/86/68/632768668.db2.gz KHHMDARPDFQEJN-XUJVJEKNSA-N 2 0 250.361 2.783 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000817976685 632774389 /nfs/dbraw/zinc/77/43/89/632774389.db2.gz RDTYOQORKWRDTE-RHSMWYFYSA-N 2 0 296.418 2.665 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000817976684 632774594 /nfs/dbraw/zinc/77/45/94/632774594.db2.gz RDTYOQORKWRDTE-PBHICJAKSA-N 2 0 296.418 2.665 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCO2 ZINC000817976376 632774637 /nfs/dbraw/zinc/77/46/37/632774637.db2.gz KWCCGRIPEYHGAS-WBVHZDCISA-N 2 0 286.419 2.804 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1OC ZINC000817978018 632775252 /nfs/dbraw/zinc/77/52/52/632775252.db2.gz TZDMJWLTEANZPX-STQMWFEESA-N 2 0 280.412 2.620 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000817978072 632775493 /nfs/dbraw/zinc/77/54/93/632775493.db2.gz VHVPPUBDYDNGBT-IUODEOHRSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817981445 632777956 /nfs/dbraw/zinc/77/79/56/632777956.db2.gz JRGSIQRMOKBKAM-SQWLQELKSA-N 2 0 284.407 2.650 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817980978 632778196 /nfs/dbraw/zinc/77/81/96/632778196.db2.gz GBPJIFPMGLWNAD-WQVCFCJDSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccnc(Cl)c1 ZINC000817983227 632779918 /nfs/dbraw/zinc/77/99/18/632779918.db2.gz ZUNMOXVGRDNQOC-HOSYDEDBSA-N 2 0 253.777 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccnc1Cl ZINC000817982650 632779993 /nfs/dbraw/zinc/77/99/93/632779993.db2.gz VCJKIOMPWGQPKC-AXFHLTTASA-N 2 0 253.777 2.513 20 0 CFADRP Cc1ccccc1OCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818341267 632832362 /nfs/dbraw/zinc/83/23/62/632832362.db2.gz YGZFODOZWRCKLN-INIZCTEOSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(Cl)nc1)CC[NH2+]CC2 ZINC000818340206 632832624 /nfs/dbraw/zinc/83/26/24/632832624.db2.gz JSGGJZSNNFKCTD-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](O)c1ccccc1F)C[NH+]1CCCCC1 ZINC000818969112 632917345 /nfs/dbraw/zinc/91/73/45/632917345.db2.gz LDIHDWSCYVRZSG-YOEHRIQHSA-N 2 0 294.414 2.571 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000818967008 632917850 /nfs/dbraw/zinc/91/78/50/632917850.db2.gz PGIGUSXXIDWZGG-XJKSGUPXSA-N 2 0 296.842 2.695 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819186511 633005889 /nfs/dbraw/zinc/00/58/89/633005889.db2.gz ZGHFLTRYEOBFAX-KVULBXGLSA-N 2 0 294.414 2.569 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000819226701 633027502 /nfs/dbraw/zinc/02/75/02/633027502.db2.gz IVFFCCXXSICRAJ-QGZVFWFLSA-N 2 0 290.451 2.740 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000819361142 633111087 /nfs/dbraw/zinc/11/10/87/633111087.db2.gz HIRRPUDNYBZELP-INIZCTEOSA-N 2 0 296.842 2.837 20 0 CFADRP CC(C)c1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000848562344 633290061 /nfs/dbraw/zinc/29/00/61/633290061.db2.gz IAEUIOYPLDBCIJ-TXEJJXNPSA-N 2 0 267.442 2.696 20 0 CFADRP C[C@H]([NH2+]Cc1noc2ccccc21)C1CC[NH+](C)CC1 ZINC000848573100 633293112 /nfs/dbraw/zinc/29/31/12/633293112.db2.gz PTSGAXBFIBCSET-LBPRGKRZSA-N 2 0 273.380 2.648 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)c1c(F)cccc1F ZINC000848719528 633324770 /nfs/dbraw/zinc/32/47/70/633324770.db2.gz IQJVDRABHVQHND-TWINXVHLSA-N 2 0 298.377 2.636 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000857252661 635957043 /nfs/dbraw/zinc/95/70/43/635957043.db2.gz HVCQWWWTOOLVAP-VWYCJHECSA-N 2 0 265.228 2.691 20 0 CFADRP CC(C)c1cccc(NC(=[NH2+])NCCNc2cc[nH+]cc2)c1 ZINC000848995207 633451325 /nfs/dbraw/zinc/45/13/25/633451325.db2.gz FTKNMAKUDNDGAT-UHFFFAOYSA-N 2 0 297.406 2.675 20 0 CFADRP CCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000848995958 633451386 /nfs/dbraw/zinc/45/13/86/633451386.db2.gz RKTSYGFOBBVHJC-INIZCTEOSA-N 2 0 288.439 2.593 20 0 CFADRP CCNC(=[NH2+])NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000848999040 633452694 /nfs/dbraw/zinc/45/26/94/633452694.db2.gz XRHASCRAUMBKCO-UHFFFAOYSA-N 2 0 288.439 2.552 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])NC1CCC1)c1ccccc1 ZINC000849006032 633456388 /nfs/dbraw/zinc/45/63/88/633456388.db2.gz MYKGUYYATZHNJG-CYBMUJFWSA-N 2 0 288.439 2.782 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000849027752 633468187 /nfs/dbraw/zinc/46/81/87/633468187.db2.gz KKZXCLCIEDWAFJ-AWEZNQCLSA-N 2 0 290.411 2.506 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCCCC[N@@H+](C)C2CC2)c1 ZINC000849039895 633475900 /nfs/dbraw/zinc/47/59/00/633475900.db2.gz XNBRHZRVBKRRQA-UHFFFAOYSA-N 2 0 274.412 2.806 20 0 CFADRP CCCCCCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000849040119 633475964 /nfs/dbraw/zinc/47/59/64/633475964.db2.gz LQKIYYXMXWXLKX-UHFFFAOYSA-N 2 0 273.384 2.529 20 0 CFADRP CCc1cccc(NC(=[NH2+])NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000849040691 633476570 /nfs/dbraw/zinc/47/65/70/633476570.db2.gz BZQPPSWUZOCECO-OAHLLOKOSA-N 2 0 288.439 2.917 20 0 CFADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)CC(C)C ZINC000849054505 633481686 /nfs/dbraw/zinc/48/16/86/633481686.db2.gz KFLBUCYMPYYHQM-HZPDHXFCSA-N 2 0 296.503 2.999 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849063718 633483113 /nfs/dbraw/zinc/48/31/13/633483113.db2.gz OVZSJKFDWSZOHN-HZPDHXFCSA-N 2 0 294.487 2.897 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849096711 633484056 /nfs/dbraw/zinc/48/40/56/633484056.db2.gz LJNBILBXFPSSFL-LSDHHAIUSA-N 2 0 282.476 2.657 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000850444387 633995534 /nfs/dbraw/zinc/99/55/34/633995534.db2.gz YJPLVLVJFCROAQ-UHFFFAOYSA-N 2 0 274.399 2.927 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483816 634013303 /nfs/dbraw/zinc/01/33/03/634013303.db2.gz VDIHXXMNZIQAJR-ROUUACIJSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000850524929 634032399 /nfs/dbraw/zinc/03/23/99/634032399.db2.gz FLXJZTVLDIFMDQ-JCECYMMASA-N 2 0 286.419 2.627 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1SCCS1 ZINC000853023046 634879462 /nfs/dbraw/zinc/87/94/62/634879462.db2.gz LGPDZSOIIXMDGG-QWHCGFSZSA-N 2 0 286.510 2.504 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000853093072 634901349 /nfs/dbraw/zinc/90/13/49/634901349.db2.gz AVFMGCBJGRCXAY-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000853241092 634949544 /nfs/dbraw/zinc/94/95/44/634949544.db2.gz UKGYNNPFFAKYDQ-GVDBMIGSSA-N 2 0 292.467 2.656 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)CCO2 ZINC000854221863 635263435 /nfs/dbraw/zinc/26/34/35/635263435.db2.gz AGFYMBKFYFINIF-OAHLLOKOSA-N 2 0 274.408 2.934 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925488434 635367826 /nfs/dbraw/zinc/36/78/26/635367826.db2.gz CTBQPMWZPXYPNN-ORQFMDKSSA-N 2 0 270.420 2.693 20 0 CFADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000112633246 635387535 /nfs/dbraw/zinc/38/75/35/635387535.db2.gz KWTBJPIVRHVMJE-RAIGVLPGSA-N 2 0 284.325 2.918 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925490725 635845828 /nfs/dbraw/zinc/84/58/28/635845828.db2.gz CEFQXMNPKSJFSV-ARFHVFGLSA-N 2 0 276.424 2.524 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925490759 635846359 /nfs/dbraw/zinc/84/63/59/635846359.db2.gz CEFQXMNPKSJFSV-OWCLPIDISA-N 2 0 276.424 2.524 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858091933 636123047 /nfs/dbraw/zinc/12/30/47/636123047.db2.gz KKOQVRZMMUBVQS-CHWSQXEVSA-N 2 0 250.386 2.673 20 0 CFADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC000858100429 636124515 /nfs/dbraw/zinc/12/45/15/636124515.db2.gz GTMAAEMAUNHDSL-OAHLLOKOSA-N 2 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc32)CC1(C)C ZINC000858118412 636132810 /nfs/dbraw/zinc/13/28/10/636132810.db2.gz ZNXYPPGQDUXPBL-INIZCTEOSA-N 2 0 287.451 2.512 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858147642 636139775 /nfs/dbraw/zinc/13/97/75/636139775.db2.gz WKPWNCDBKJSDQA-FRRDWIJNSA-N 2 0 256.459 2.733 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)CC1(C)C ZINC000858155334 636143461 /nfs/dbraw/zinc/14/34/61/636143461.db2.gz HEHGCIFVQCVPAD-HUUCEWRRSA-N 2 0 296.455 2.525 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC000858165633 636145567 /nfs/dbraw/zinc/14/55/67/636145567.db2.gz WDVYLZREZZZMAV-BPUTZDHNSA-N 2 0 276.424 2.571 20 0 CFADRP C[N@H+](CCCNc1cc[nH+]c(CO)c1)Cc1ccccc1 ZINC000858326545 636190848 /nfs/dbraw/zinc/19/08/48/636190848.db2.gz UICJDCHYADAXJK-UHFFFAOYSA-N 2 0 285.391 2.508 20 0 CFADRP CCC(CC)[C@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCC1 ZINC000858337493 636197601 /nfs/dbraw/zinc/19/76/01/636197601.db2.gz HZIMULYVFUXDIU-KRWDZBQOSA-N 2 0 291.439 2.886 20 0 CFADRP CC(C)[C@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCC(C)CC1 ZINC000858345914 636200260 /nfs/dbraw/zinc/20/02/60/636200260.db2.gz BDYLDOBFUVGPMW-KRWDZBQOSA-N 2 0 291.439 2.742 20 0 CFADRP Cc1ccc([C@H](CNc2cc[nH+]c(CO)c2)[NH+](C)C)cc1 ZINC000858367760 636210328 /nfs/dbraw/zinc/21/03/28/636210328.db2.gz VHAUICWZDQYQHG-KRWDZBQOSA-N 2 0 285.391 2.597 20 0 CFADRP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(CO)c1)c1ccco1 ZINC000858366926 636210829 /nfs/dbraw/zinc/21/08/29/636210829.db2.gz DSKBLUYISDWKGR-HNNXBMFYSA-N 2 0 289.379 2.662 20 0 CFADRP CCCN(CC[NH+]1CCCCCC1)c1cc[nH+]c(CO)c1 ZINC000858546764 636288502 /nfs/dbraw/zinc/28/85/02/636288502.db2.gz ACCRYCXOHVCTLI-UHFFFAOYSA-N 2 0 291.439 2.666 20 0 CFADRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000859213087 636507289 /nfs/dbraw/zinc/50/72/89/636507289.db2.gz RGDAYHPLEYGCJK-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000862274360 637305925 /nfs/dbraw/zinc/30/59/25/637305925.db2.gz KRMSYRIEUSWQIN-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1c(C[N@H+]2CCCC23CC[NH+](C)CC3)ccnc1F ZINC000862333941 637322232 /nfs/dbraw/zinc/32/22/32/637322232.db2.gz HDLKRFXFCYKXCQ-UHFFFAOYSA-N 2 0 277.387 2.589 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000188960025 650353275 /nfs/dbraw/zinc/35/32/75/650353275.db2.gz OBFMHNPAWCYZJE-ZDUSSCGKSA-N 2 0 267.392 2.821 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000189057000 650357554 /nfs/dbraw/zinc/35/75/54/650357554.db2.gz DNGUNKCTYINJPV-UHFFFAOYSA-N 2 0 287.382 2.962 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000863575189 637699770 /nfs/dbraw/zinc/69/97/70/637699770.db2.gz GANUXCZSWZKFHZ-UHFFFAOYSA-N 2 0 266.360 2.539 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC000863686969 637745448 /nfs/dbraw/zinc/74/54/48/637745448.db2.gz CZCJHSZWSXEBGS-UHFFFAOYSA-N 2 0 282.387 2.897 20 0 CFADRP C[NH+](C)CCNc1ccc(-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000863692632 637747973 /nfs/dbraw/zinc/74/79/73/637747973.db2.gz YDLYRDYXRWYWNK-UHFFFAOYSA-N 2 0 298.434 2.784 20 0 CFADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(C[NH+](C)C)cc2)c1 ZINC000863692326 637748026 /nfs/dbraw/zinc/74/80/26/637748026.db2.gz VOGWHCVPCFOSQN-SFHVURJKSA-N 2 0 284.403 2.668 20 0 CFADRP C[NH+](C)Cc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000863691401 637748078 /nfs/dbraw/zinc/74/80/78/637748078.db2.gz CZVIJRRFHUEKDU-UHFFFAOYSA-N 2 0 273.405 2.517 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865398028 638308038 /nfs/dbraw/zinc/30/80/38/638308038.db2.gz PIFWHXIGCYYFML-CQSZACIVSA-N 2 0 278.444 2.818 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000865452487 638344277 /nfs/dbraw/zinc/34/42/77/638344277.db2.gz JZHBFJXAFPUNCT-UHFFFAOYSA-N 2 0 299.340 2.809 20 0 CFADRP CN(C)c1ccc(F)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000865606016 638454597 /nfs/dbraw/zinc/45/45/97/638454597.db2.gz MOPCFQRSENSBRP-UHFFFAOYSA-N 2 0 293.430 2.854 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000865716597 638531563 /nfs/dbraw/zinc/53/15/63/638531563.db2.gz AWDWNRPPWBDFPG-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000865717796 638532693 /nfs/dbraw/zinc/53/26/93/638532693.db2.gz LPIOJAGCCHMIHS-QGZVFWFLSA-N 3 0 295.515 2.959 20 0 CFADRP CCCn1nccc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717736 638533061 /nfs/dbraw/zinc/53/30/61/638533061.db2.gz JTIVSCGXJLOYKS-UHFFFAOYSA-N 2 0 292.471 2.893 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000865765404 638562532 /nfs/dbraw/zinc/56/25/32/638562532.db2.gz SZBFTQOTQWYJHE-UHFFFAOYSA-N 2 0 288.439 2.707 20 0 CFADRP Cc1nocc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774427 638564089 /nfs/dbraw/zinc/56/40/89/638564089.db2.gz IMMLJHFZHALTIA-UHFFFAOYSA-N 2 0 299.418 2.736 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccnc2)(c2ccccc2)CC1 ZINC000865773675 638564597 /nfs/dbraw/zinc/56/45/97/638564597.db2.gz HIXSJDQWINSWPE-UHFFFAOYSA-N 2 0 295.430 2.835 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2([C@H]3CCCCO3)CCC2)CC1(C)C ZINC000865856690 638616885 /nfs/dbraw/zinc/61/68/85/638616885.db2.gz JXWLIXFCYHUBDM-LSDHHAIUSA-N 2 0 280.456 2.941 20 0 CFADRP C1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)([C@H]2CCCCO2)C1 ZINC000865856149 638617215 /nfs/dbraw/zinc/61/72/15/638617215.db2.gz GFUDUJZRLZOVDU-ARFHVFGLSA-N 2 0 278.440 2.695 20 0 CFADRP C[N@@H+]1CCC[C@H](CCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865872973 638631823 /nfs/dbraw/zinc/63/18/23/638631823.db2.gz YAGPPVNQDQSRFX-LLVKDONJSA-N 2 0 287.329 2.666 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]c(CO)c3)C2)cc1 ZINC000866116226 638745483 /nfs/dbraw/zinc/74/54/83/638745483.db2.gz JTRGXPUYQJMNEN-QGZVFWFLSA-N 2 0 297.402 2.569 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000866219044 638772841 /nfs/dbraw/zinc/77/28/41/638772841.db2.gz FQMZHYFRQHJLIE-INIZCTEOSA-N 2 0 275.440 2.868 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000866348457 638801388 /nfs/dbraw/zinc/80/13/88/638801388.db2.gz BONSGOXEOMWJFH-OAHLLOKOSA-N 2 0 287.451 2.867 20 0 CFADRP C1CC([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]2CCCO2)C1 ZINC000866351954 638802444 /nfs/dbraw/zinc/80/24/44/638802444.db2.gz UJBXQWZHWFQOGU-HIEASXQVSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)CC1(C)OCCO1 ZINC000866425370 638818823 /nfs/dbraw/zinc/81/88/23/638818823.db2.gz UEHXSMPYWUMDKZ-CQSZACIVSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000866467546 638826078 /nfs/dbraw/zinc/82/60/78/638826078.db2.gz JVPMAFBMMONQRE-MRXNPFEDSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000866468589 638826595 /nfs/dbraw/zinc/82/65/95/638826595.db2.gz GGXHCOOXIYPSLO-MRXNPFEDSA-N 2 0 290.455 2.818 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866509981 638832809 /nfs/dbraw/zinc/83/28/09/638832809.db2.gz HFZCSYXBMJTUMN-WMZOPIPTSA-N 2 0 294.483 2.902 20 0 CFADRP Cn1ccnc1[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000866517045 638834357 /nfs/dbraw/zinc/83/43/57/638834357.db2.gz VGPVLNFFTISUSZ-CKDBGZEDSA-N 2 0 290.455 2.724 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000866516585 638834374 /nfs/dbraw/zinc/83/43/74/638834374.db2.gz CVCKOJHTQVNUFH-IEKCDTDMSA-N 2 0 292.467 2.797 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000866516586 638834420 /nfs/dbraw/zinc/83/44/20/638834420.db2.gz CVCKOJHTQVNUFH-MXGMQVIZSA-N 2 0 292.467 2.797 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516062 638834457 /nfs/dbraw/zinc/83/44/57/638834457.db2.gz NASYJPVVIUSLEF-PCKAHOCUSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000866527399 638835230 /nfs/dbraw/zinc/83/52/30/638835230.db2.gz HQADJARFIJWCLX-GOEBONIOSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000866527400 638835335 /nfs/dbraw/zinc/83/53/35/638835335.db2.gz HQADJARFIJWCLX-HOCLYGCPSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)[C@@H]2CCC[C@H]21 ZINC000866532992 638837121 /nfs/dbraw/zinc/83/71/21/638837121.db2.gz YYASZIGJZWEFHS-LUKYLMHMSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866559200 638844428 /nfs/dbraw/zinc/84/44/28/638844428.db2.gz ACKYAHVGZXONIR-SFHVURJKSA-N 2 0 293.499 2.857 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4ccccc43)CC[C@H]21 ZINC000866585435 638848969 /nfs/dbraw/zinc/84/89/69/638848969.db2.gz YBAGIZJMVBLCSV-OIISXLGYSA-N 2 0 256.393 2.700 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000866623745 638857006 /nfs/dbraw/zinc/85/70/06/638857006.db2.gz XJVIMQYOMYUCRA-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000866665212 638862873 /nfs/dbraw/zinc/86/28/73/638862873.db2.gz FFJQAPPNANHDMJ-BMFZPTHFSA-N 2 0 282.472 2.887 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)OC1 ZINC000866666724 638863247 /nfs/dbraw/zinc/86/32/47/638863247.db2.gz VYTVITZVDFRGRD-BZUAXINKSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)C1CC[NH2+]CC1 ZINC000866697814 638866837 /nfs/dbraw/zinc/86/68/37/638866837.db2.gz ZIHQOWGSEPGIAM-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705579 638868531 /nfs/dbraw/zinc/86/85/31/638868531.db2.gz CVRPWAABUVAHKI-INIZCTEOSA-N 2 0 270.461 2.746 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCCCCC[NH3+])C1 ZINC000866707360 638868741 /nfs/dbraw/zinc/86/87/41/638868741.db2.gz MUSQFWGDIQNTNL-MRXNPFEDSA-N 3 0 269.477 2.593 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2ccncc2Cl)C1 ZINC000866709673 638869822 /nfs/dbraw/zinc/86/98/22/638869822.db2.gz YIDFRRPRGVNERP-OAHLLOKOSA-N 2 0 281.831 2.932 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000866717702 638870145 /nfs/dbraw/zinc/87/01/45/638870145.db2.gz MWLBNOBHQONCOP-JKSUJKDBSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1cncc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000866721347 638870410 /nfs/dbraw/zinc/87/04/10/638870410.db2.gz VCJAGRDTCXZOFX-WBVHZDCISA-N 2 0 273.424 2.917 20 0 CFADRP Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c(C[NH+](C)C)c1 ZINC000870887177 641107890 /nfs/dbraw/zinc/10/78/90/641107890.db2.gz QIHHJHAQVXPIAC-CTYIDZIISA-N 2 0 289.423 2.513 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796601 641462651 /nfs/dbraw/zinc/46/26/51/641462651.db2.gz AXINBJNKLDRIBP-WVMKXHBISA-N 2 0 292.427 2.764 20 0 CFADRP Cn1cccc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000080373666 650667934 /nfs/dbraw/zinc/66/79/34/650667934.db2.gz VPTIVFFHNXARRU-UHFFFAOYSA-N 2 0 275.440 2.912 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000872079188 641612567 /nfs/dbraw/zinc/61/25/67/641612567.db2.gz WDTGFDHXZQEXSA-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP c1cnc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000872124408 641651822 /nfs/dbraw/zinc/65/18/22/641651822.db2.gz MTPBMOLDPJCVRL-HZPDHXFCSA-N 2 0 281.403 2.951 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](O)c1ccccc1 ZINC000872134521 641662562 /nfs/dbraw/zinc/66/25/62/641662562.db2.gz WVZARONIALOYIJ-BDXSIMOUSA-N 2 0 288.435 2.715 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](O)c1ccccc1 ZINC000872134526 641662677 /nfs/dbraw/zinc/66/26/77/641662677.db2.gz WVZARONIALOYIJ-ZJPYXAASSA-N 2 0 288.435 2.715 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC000872143394 641670370 /nfs/dbraw/zinc/67/03/70/641670370.db2.gz QZQSOSFSGJFZLX-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP C([C@@H]1C[C@@H]2CCC[C@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000872144317 641671336 /nfs/dbraw/zinc/67/13/36/641671336.db2.gz GAQZUUHSGOGCHO-XWTMOSNGSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2nc3c(o2)CCCC3)[C@@H]1CCC[NH3+] ZINC000872145148 641672818 /nfs/dbraw/zinc/67/28/18/641672818.db2.gz NCNHYOHYXDKRFX-UKRRQHHQSA-N 2 0 291.439 2.893 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@@H]1CCc3ccccc31)C2 ZINC000872153417 641673658 /nfs/dbraw/zinc/67/36/58/641673658.db2.gz BEOZYTSQRABJDC-XYJFISCASA-N 2 0 270.420 2.648 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146440 641674429 /nfs/dbraw/zinc/67/44/29/641674429.db2.gz NPFRMVAJJXRNPE-OAHLLOKOSA-N 2 0 290.455 2.712 20 0 CFADRP c1ccc2c(c1)CC[C@]21CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000872146352 641674473 /nfs/dbraw/zinc/67/44/73/641674473.db2.gz LZIOQZDFYCOXJV-CRAIPNDOSA-N 2 0 270.420 2.576 20 0 CFADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155200 641675465 /nfs/dbraw/zinc/67/54/65/641675465.db2.gz NLLZAFYNARCOPV-JKSUJKDBSA-N 2 0 297.487 2.617 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1nc(-c2ccccc2)no1 ZINC000872155070 641675895 /nfs/dbraw/zinc/67/58/95/641675895.db2.gz KXGCWHWNEHSZOG-UHFFFAOYSA-N 2 0 288.395 2.688 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2ccno2)C1)C1CCCC1 ZINC000872156463 641676749 /nfs/dbraw/zinc/67/67/49/641676749.db2.gz JZJCOVQYSYHTTP-BBRMVZONSA-N 2 0 277.412 2.794 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872156233 641676877 /nfs/dbraw/zinc/67/68/77/641676877.db2.gz GPMAJUSOPBTQDA-WMZOPIPTSA-N 3 0 293.499 2.606 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872156230 641677318 /nfs/dbraw/zinc/67/73/18/641677318.db2.gz GPMAJUSOPBTQDA-AEFFLSMTSA-N 3 0 293.499 2.606 20 0 CFADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155921 641677724 /nfs/dbraw/zinc/67/77/24/641677724.db2.gz ANEZCXLJSOWVNN-ZBFHGGJFSA-N 2 0 296.455 2.559 20 0 CFADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155919 641677803 /nfs/dbraw/zinc/67/78/03/641677803.db2.gz ANEZCXLJSOWVNN-GOEBONIOSA-N 2 0 296.455 2.559 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cccc2c1CCOC2 ZINC000872156038 641677919 /nfs/dbraw/zinc/67/79/19/641677919.db2.gz CZCQMPFWDPDJSK-UHFFFAOYSA-N 2 0 276.424 2.710 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2ccon2)C1)C1CCCC1 ZINC000872158480 641679148 /nfs/dbraw/zinc/67/91/48/641679148.db2.gz VMRRGAFABZYLBO-XJKSGUPXSA-N 2 0 277.412 2.794 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252179 641717597 /nfs/dbraw/zinc/71/75/97/641717597.db2.gz QRCOLPJWIJTJPZ-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP COCC[N@H+]1[C@H](C)CN(c2cc[nH+]cc2C2CC2)C[C@@H]1C ZINC000872582422 641865163 /nfs/dbraw/zinc/86/51/63/641865163.db2.gz JSQVOKFOJBDRKR-OKILXGFUSA-N 2 0 289.423 2.504 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1Cl ZINC000872779625 641933997 /nfs/dbraw/zinc/93/39/97/641933997.db2.gz HLZZBHMUTYWHJR-RYUDHWBXSA-N 2 0 265.788 2.716 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872780596 641934377 /nfs/dbraw/zinc/93/43/77/641934377.db2.gz MKUVJDRCEBXJQB-MSOLQXFVSA-N 2 0 297.402 2.916 20 0 CFADRP CCCC[N@H+](CCOC)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204829 642066381 /nfs/dbraw/zinc/06/63/81/642066381.db2.gz JNGMWBHAYTZYBA-UHFFFAOYSA-N 2 0 282.453 2.642 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873217709 642071566 /nfs/dbraw/zinc/07/15/66/642071566.db2.gz QBXBLDMDWXOVJG-OLZOCXBDSA-N 2 0 268.401 2.764 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000873215318 642071754 /nfs/dbraw/zinc/07/17/54/642071754.db2.gz WRWRPVOBCWTBRJ-ZWKOTPCHSA-N 2 0 285.435 2.788 20 0 CFADRP C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000873219011 642072574 /nfs/dbraw/zinc/07/25/74/642072574.db2.gz BVRCZPROESCTGX-CYBMUJFWSA-N 2 0 284.407 2.554 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219961 642072786 /nfs/dbraw/zinc/07/27/86/642072786.db2.gz CQSUPLJYYCHLGX-HZRUHFOJSA-N 2 0 274.408 2.686 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000873219997 642073247 /nfs/dbraw/zinc/07/32/47/642073247.db2.gz FHCIAYDJQLVTDV-WQVCFCJDSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221001 642073867 /nfs/dbraw/zinc/07/38/67/642073867.db2.gz FITHFOZAGVXTRZ-CQSZACIVSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873221363 642074194 /nfs/dbraw/zinc/07/41/94/642074194.db2.gz RKAWFUDHCCBZRX-YWVDXFKGSA-N 2 0 262.372 2.817 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000873221160 642074267 /nfs/dbraw/zinc/07/42/67/642074267.db2.gz NKAQQUVIVHCIPF-SNVBAGLBSA-N 2 0 270.779 2.957 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221279 642074491 /nfs/dbraw/zinc/07/44/91/642074491.db2.gz IUPJPGJRJDMVBS-CYBMUJFWSA-N 2 0 262.397 2.563 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873222168 642075079 /nfs/dbraw/zinc/07/50/79/642075079.db2.gz DDRKAZJHCAKPBR-AWEZNQCLSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000873222335 642075186 /nfs/dbraw/zinc/07/51/86/642075186.db2.gz NJYFNTOICNCHKD-NSHDSACASA-N 2 0 281.469 2.918 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873223236 642076209 /nfs/dbraw/zinc/07/62/09/642076209.db2.gz JJNTUJFSCXAKIC-ZDUSSCGKSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000873223495 642076429 /nfs/dbraw/zinc/07/64/29/642076429.db2.gz OWBLDCNDQKDGBV-SJLPKXTDSA-N 3 0 295.515 2.674 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2ncccc2c1)C1CC[NH2+]CC1 ZINC000873223348 642076441 /nfs/dbraw/zinc/07/64/41/642076441.db2.gz KSYHLXOEVAPYDF-ZDUSSCGKSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H]([NH2+]Cc1nccc2ccccc21)C1CC[NH2+]CC1 ZINC000873222531 642076897 /nfs/dbraw/zinc/07/68/97/642076897.db2.gz YCIIGPFMAUZPFD-ZDUSSCGKSA-N 2 0 269.392 2.713 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1OC ZINC000873223938 642077939 /nfs/dbraw/zinc/07/79/39/642077939.db2.gz VIDHGBKOSRDBDZ-ZDUSSCGKSA-N 2 0 292.423 2.572 20 0 CFADRP CC[C@H](C[NH2+]C1(CCOC)CC[NH2+]CC1)c1ccccc1 ZINC000873224301 642078309 /nfs/dbraw/zinc/07/83/09/642078309.db2.gz AGZVUPRODGENPS-MRXNPFEDSA-N 2 0 290.451 2.929 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@@H]1C(F)(F)F ZINC000873227658 642079485 /nfs/dbraw/zinc/07/94/85/642079485.db2.gz KNUMFIYSKHWAHN-HIFRSBDPSA-N 2 0 298.352 2.744 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232205 642084859 /nfs/dbraw/zinc/08/48/59/642084859.db2.gz MXSKHLVAOOWQRJ-VYDXJSESSA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+][C@H](CC[NH2+][C@H]1CC[C@H]1C1CC1)Cc1ccccc1 ZINC000873233905 642086451 /nfs/dbraw/zinc/08/64/51/642086451.db2.gz AWHIJLVUGABBCY-IKGGRYGDSA-N 2 0 258.409 2.725 20 0 CFADRP c1nc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873232897 642087131 /nfs/dbraw/zinc/08/71/31/642087131.db2.gz QJROMZKLXNCOGO-CYBMUJFWSA-N 2 0 265.426 2.545 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000873243567 642091746 /nfs/dbraw/zinc/09/17/46/642091746.db2.gz YJLIPYNPJNHOFA-WBVHZDCISA-N 3 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000873246487 642093234 /nfs/dbraw/zinc/09/32/34/642093234.db2.gz ZULKPHWOIJDCPV-JKSUJKDBSA-N 2 0 288.435 2.748 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248649 642095351 /nfs/dbraw/zinc/09/53/51/642095351.db2.gz CWFFALNBFPODNF-JONQDZQNSA-N 2 0 273.424 2.743 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000873249539 642095502 /nfs/dbraw/zinc/09/55/02/642095502.db2.gz LNLZURLZBAZFTK-GASCZTMLSA-N 3 0 295.515 2.993 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000873249266 642095883 /nfs/dbraw/zinc/09/58/83/642095883.db2.gz JUAIXRSPUOZIRY-KKNUOHPOSA-N 2 0 266.429 2.584 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873250502 642096617 /nfs/dbraw/zinc/09/66/17/642096617.db2.gz GCAJIYHENQYXHQ-MNOVXSKESA-N 2 0 284.391 2.779 20 0 CFADRP Cc1cc([C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000873252414 642098013 /nfs/dbraw/zinc/09/80/13/642098013.db2.gz RJJLMYHJVZXBLT-XCRHUMRWSA-N 2 0 299.393 2.945 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000873252302 642098152 /nfs/dbraw/zinc/09/81/52/642098152.db2.gz NHABKGRVJXFKPW-QWRGUYRKSA-N 2 0 288.313 2.787 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000873254017 642099883 /nfs/dbraw/zinc/09/98/83/642099883.db2.gz JDMGFBUHPKVRLV-MXWKQRLJSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873254492 642099952 /nfs/dbraw/zinc/09/99/52/642099952.db2.gz VGRSXWXTMDLOSR-QKCSRTOESA-N 2 0 286.341 2.963 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254525 642100076 /nfs/dbraw/zinc/10/00/76/642100076.db2.gz VWJJSXQIBDGUOM-KCQAQPDRSA-N 2 0 262.397 2.862 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000873253830 642100352 /nfs/dbraw/zinc/10/03/52/642100352.db2.gz FTUNOZOQTKCZBZ-FOGDFJRCSA-N 2 0 268.401 2.936 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255732 642101679 /nfs/dbraw/zinc/10/16/79/642101679.db2.gz JFLSXWCZLWGHGJ-XNRPHZJLSA-N 2 0 284.407 2.569 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256124 642101700 /nfs/dbraw/zinc/10/17/00/642101700.db2.gz LXXRDCBESLGJCV-DZUCGIPZSA-N 2 0 258.409 2.958 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000873255984 642101903 /nfs/dbraw/zinc/10/19/03/642101903.db2.gz KPEMMAFTPCNHSH-NUTKFTJISA-N 2 0 286.419 2.716 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256631 642102697 /nfs/dbraw/zinc/10/26/97/642102697.db2.gz BOMGPKXCBDQDBG-NQBHXWOUSA-N 2 0 250.411 2.796 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256895 642102767 /nfs/dbraw/zinc/10/27/67/642102767.db2.gz PMYBPFWWRMFWLB-MPKXVKKWSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1Br ZINC000873257359 642102823 /nfs/dbraw/zinc/10/28/23/642102823.db2.gz TUZMQQIKPAHHJL-GARJFASQSA-N 2 0 283.213 2.837 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000873258516 642103356 /nfs/dbraw/zinc/10/33/56/642103356.db2.gz QWHAQLUQKQHAEL-GIPNMCIBSA-N 2 0 283.213 2.837 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000873258885 642103557 /nfs/dbraw/zinc/10/35/57/642103557.db2.gz WYOLTFIJQFWLEN-SRCQZFHVSA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000873257582 642103630 /nfs/dbraw/zinc/10/36/30/642103630.db2.gz UIIWHZXSCQJRJD-VQHPVUNQSA-N 2 0 258.409 2.725 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000873259371 642104363 /nfs/dbraw/zinc/10/43/63/642104363.db2.gz CWCNJGBUWHKRLD-UGQVUOCMSA-N 2 0 276.428 2.645 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1Cl ZINC000873260100 642104545 /nfs/dbraw/zinc/10/45/45/642104545.db2.gz SDGZNIQJUOSHII-FVCCEPFGSA-N 2 0 279.815 2.916 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260466 642105275 /nfs/dbraw/zinc/10/52/75/642105275.db2.gz AYCFHTJEHDLXSC-UMPJEAMMSA-N 2 0 286.419 2.890 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCSCC1 ZINC000873260658 642105511 /nfs/dbraw/zinc/10/55/11/642105511.db2.gz FJWGBUJIXMOQGG-VIRABCJISA-N 2 0 268.470 2.638 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260891 642105521 /nfs/dbraw/zinc/10/55/21/642105521.db2.gz JNNCLTVJQUWLTJ-AGTSVGGPSA-N 2 0 288.435 2.883 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261027 642105582 /nfs/dbraw/zinc/10/55/82/642105582.db2.gz KSGZOBBAHYJZKT-FVCCEPFGSA-N 2 0 280.437 2.938 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C1CC[NH2+]CC1 ZINC000873264841 642108290 /nfs/dbraw/zinc/10/82/90/642108290.db2.gz HEQVNGIIKFWFKM-LSDHHAIUSA-N 2 0 298.434 2.911 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c(F)c1 ZINC000873265552 642109425 /nfs/dbraw/zinc/10/94/25/642109425.db2.gz NMDQXXLYUMJNII-NEPJUHHUSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)nc1 ZINC000873266066 642109489 /nfs/dbraw/zinc/10/94/89/642109489.db2.gz ZEVATWKTJVMHSA-MHDGFBEUSA-N 2 0 279.815 2.916 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)o1 ZINC000873268572 642111212 /nfs/dbraw/zinc/11/12/12/642111212.db2.gz XFPFHOOTPGDCNS-VXGBXAGGSA-N 2 0 250.386 2.881 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000873269960 642111824 /nfs/dbraw/zinc/11/18/24/642111824.db2.gz NEOZPTWTLCKGFZ-RDTXWAMCSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000873271681 642112614 /nfs/dbraw/zinc/11/26/14/642112614.db2.gz JKTFBCTYJROSLZ-QWRGUYRKSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)C1CC[NH2+]CC1 ZINC000873271046 642112635 /nfs/dbraw/zinc/11/26/35/642112635.db2.gz DDXYZUOGUCRNDX-IGCXYCKISA-N 2 0 258.409 2.898 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CCC2 ZINC000873272643 642113498 /nfs/dbraw/zinc/11/34/98/642113498.db2.gz VXFUKWUBGYLULI-GXFFZTMASA-N 2 0 279.453 2.807 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCNc2ccccc21)C1CC[NH2+]CC1 ZINC000873272375 642113707 /nfs/dbraw/zinc/11/37/07/642113707.db2.gz SZSVETZMWMMUMS-GUYCJALGSA-N 2 0 273.424 2.911 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cccs2)[C@H](C)C1 ZINC000081095669 650722512 /nfs/dbraw/zinc/72/25/12/650722512.db2.gz HDJVHJVAMBEUOA-HIFRSBDPSA-N 2 0 266.454 2.953 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000873276140 642115504 /nfs/dbraw/zinc/11/55/04/642115504.db2.gz RCSAIMAKYULQKS-RYUDHWBXSA-N 2 0 261.369 2.996 20 0 CFADRP COCC(C)(C)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000873280897 642116694 /nfs/dbraw/zinc/11/66/94/642116694.db2.gz DWPLWRLFGPZGLE-GDBMZVCRSA-N 2 0 278.440 2.597 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873281230 642117062 /nfs/dbraw/zinc/11/70/62/642117062.db2.gz HIUWAWMORXBLLW-UHDSXZAQSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C(C)(C)C)s1)C1C[NH2+]C1 ZINC000873281853 642117183 /nfs/dbraw/zinc/11/71/83/642117183.db2.gz PUKIKSQIGRALTD-JTQLQIEISA-N 2 0 252.427 2.743 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ncc(Cl)s1 ZINC000873283545 642118050 /nfs/dbraw/zinc/11/80/50/642118050.db2.gz WGLGEVHBNVCVRC-MRVPVSSYSA-N 2 0 296.827 2.809 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873285113 642118992 /nfs/dbraw/zinc/11/89/92/642118992.db2.gz YPZZVPXCEGPAJQ-RDJZCZTQSA-N 2 0 269.392 2.984 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1F ZINC000873289486 642122455 /nfs/dbraw/zinc/12/24/55/642122455.db2.gz IKJCOMJEEAWEIV-ZIAGYGMSSA-N 2 0 292.398 2.635 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290041 642122940 /nfs/dbraw/zinc/12/29/40/642122940.db2.gz NMGUMSDVGQNKRX-HZPDHXFCSA-N 2 0 282.472 2.950 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290666 642122978 /nfs/dbraw/zinc/12/29/78/642122978.db2.gz FPISVDGEZAMDCW-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873291227 642124057 /nfs/dbraw/zinc/12/40/57/642124057.db2.gz VWHNELHINWKGSX-NVXWUHKLSA-N 2 0 288.435 2.804 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291976 642124089 /nfs/dbraw/zinc/12/40/89/642124089.db2.gz JRBWPUZJVMLYKZ-HZMVEIRTSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293145 642124645 /nfs/dbraw/zinc/12/46/45/642124645.db2.gz YHGXBQUVELHFKU-LSDHHAIUSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295209 642126640 /nfs/dbraw/zinc/12/66/40/642126640.db2.gz BVMDQYQIDLCNGI-MFNRNEDNSA-N 2 0 273.424 2.737 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000019913145 642204106 /nfs/dbraw/zinc/20/41/06/642204106.db2.gz MHHIPMGMSBBRAK-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000019915194 642204337 /nfs/dbraw/zinc/20/43/37/642204337.db2.gz MAYVORQYXSYXEB-OAHLLOKOSA-N 2 0 298.471 2.772 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1(C)CCCC1 ZINC000876810766 643019362 /nfs/dbraw/zinc/01/93/62/643019362.db2.gz DJVWDGZOLGWDRD-OWCLPIDISA-N 2 0 280.456 2.750 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]CC2(C)CCCC2)CC1 ZINC000876928344 643068601 /nfs/dbraw/zinc/06/86/01/643068601.db2.gz ASUWBNDCTQVHBN-UHFFFAOYSA-N 2 0 281.488 2.574 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000877022676 643108544 /nfs/dbraw/zinc/10/85/44/643108544.db2.gz PQLVKPHCINMERD-RCCFBDPRSA-N 2 0 293.499 2.737 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089140190 650828234 /nfs/dbraw/zinc/82/82/34/650828234.db2.gz CJPRAPGHTUWYBS-YPMHNXCESA-N 2 0 284.350 2.895 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000877524848 643327673 /nfs/dbraw/zinc/32/76/73/643327673.db2.gz IKTLEIKHDUMAMM-NVXWUHKLSA-N 2 0 275.440 2.723 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(C)CCCC3)C2)C1 ZINC000877552987 643353388 /nfs/dbraw/zinc/35/33/88/643353388.db2.gz YBPPKXIEKIJMES-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nc(Cl)cs2)C1 ZINC000877584916 643380338 /nfs/dbraw/zinc/38/03/38/643380338.db2.gz LAFOERIPNUYAJL-JTQLQIEISA-N 2 0 273.833 2.618 20 0 CFADRP CCc1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)o1 ZINC000877664083 643442045 /nfs/dbraw/zinc/44/20/45/643442045.db2.gz GULMZYSNHMKNGJ-UHFFFAOYSA-N 2 0 294.439 2.632 20 0 CFADRP CCC[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684311 643453089 /nfs/dbraw/zinc/45/30/89/643453089.db2.gz LKEXNJVGVBEMOS-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1ccncc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877683962 643453241 /nfs/dbraw/zinc/45/32/41/643453241.db2.gz DSQPCEKHRQDPNW-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CCOC1CC(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)C1 ZINC000877683968 643453273 /nfs/dbraw/zinc/45/32/73/643453273.db2.gz FAVBMQDUTMLDBQ-UHFFFAOYSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000877684151 643453662 /nfs/dbraw/zinc/45/36/62/643453662.db2.gz ISGIMOWUPARYCK-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000877684045 643453673 /nfs/dbraw/zinc/45/36/73/643453673.db2.gz NZEBIAVBLCINJF-MUJYYYPQSA-N 2 0 262.441 2.840 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnc3ccccn13)CC2 ZINC000877684498 643453864 /nfs/dbraw/zinc/45/38/64/643453864.db2.gz PAEGIOBDLPATDV-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000877697075 643459253 /nfs/dbraw/zinc/45/92/53/643459253.db2.gz HMDXWSQXUMSFNA-MRXNPFEDSA-N 2 0 266.429 2.779 20 0 CFADRP CO[C@H](C[NH2+]CCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000877698286 643460674 /nfs/dbraw/zinc/46/06/74/643460674.db2.gz WXHBLIOYMFIHPM-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000877698588 643460857 /nfs/dbraw/zinc/46/08/57/643460857.db2.gz YYVHVJJNDXEDMD-LSDHHAIUSA-N 2 0 270.486 2.981 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000877698582 643460866 /nfs/dbraw/zinc/46/08/66/643460866.db2.gz YYVHVJJNDXEDMD-CABCVRRESA-N 2 0 270.486 2.981 20 0 CFADRP Cc1ncc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)o1 ZINC000877697888 643460908 /nfs/dbraw/zinc/46/09/08/643460908.db2.gz RGJFYOGDBQATCK-UHFFFAOYSA-N 2 0 265.401 2.583 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000877711444 643477300 /nfs/dbraw/zinc/47/73/00/643477300.db2.gz JLGTZQMHHUUJGO-UHFFFAOYSA-N 2 0 287.451 2.923 20 0 CFADRP Cc1cc(C)cc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877737948 643499205 /nfs/dbraw/zinc/49/92/05/643499205.db2.gz JBMQZHFPYUUWIZ-MSOLQXFVSA-N 2 0 272.436 2.872 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877739357 643506184 /nfs/dbraw/zinc/50/61/84/643506184.db2.gz DOLSENPADDCWIJ-RDJZCZTQSA-N 2 0 258.409 2.829 20 0 CFADRP Cc1nccnc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767230 643546399 /nfs/dbraw/zinc/54/63/99/643546399.db2.gz CQJZTFJRTBPIIJ-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP CC(C)C[N@@H+](Cc1nccs1)CC1CC[NH+](C)CC1 ZINC000877767229 643546488 /nfs/dbraw/zinc/54/64/88/643546488.db2.gz COPLYEWRGXCCAT-UHFFFAOYSA-N 2 0 281.469 2.943 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000877988728 643681851 /nfs/dbraw/zinc/68/18/51/643681851.db2.gz KJSZCPUVEIYJSZ-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000878018047 643694442 /nfs/dbraw/zinc/69/44/42/643694442.db2.gz QQHKJGGZIDOIRA-QZTJIDSGSA-N 2 0 296.499 2.837 20 0 CFADRP C=C/C=C/CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000878021120 643695667 /nfs/dbraw/zinc/69/56/67/643695667.db2.gz XIJVRNMFLBILJY-PJHKVULZSA-N 2 0 291.483 2.609 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000878049946 643714236 /nfs/dbraw/zinc/71/42/36/643714236.db2.gz OZBXMBFTPHQLPC-KURKYZTESA-N 2 0 294.483 2.999 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121440 643747392 /nfs/dbraw/zinc/74/73/92/643747392.db2.gz QFSFXZYGFLRRPG-SJORKVTESA-N 2 0 292.467 2.896 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878159692 643767514 /nfs/dbraw/zinc/76/75/14/643767514.db2.gz RLDAUFFJDJOTEI-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878167253 643774176 /nfs/dbraw/zinc/77/41/76/643774176.db2.gz QYEGLBJWDJWOFK-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(F)(F)F)[C@H](C)C1 ZINC000878258660 643810642 /nfs/dbraw/zinc/81/06/42/643810642.db2.gz TUKYTROETZWXDM-NEPJUHHUSA-N 2 0 282.350 2.575 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CC2(CCC2)C1 ZINC000878288439 643823469 /nfs/dbraw/zinc/82/34/69/643823469.db2.gz WXGJWRHPALPFGX-ZACQAIPSSA-N 2 0 292.467 2.750 20 0 CFADRP C=C/C=C\CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878322571 643839693 /nfs/dbraw/zinc/83/96/93/643839693.db2.gz NLHIRRHDIWHLOA-WAYWQWQTSA-N 2 0 291.483 2.609 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)CC1 ZINC000878550152 643938144 /nfs/dbraw/zinc/93/81/44/643938144.db2.gz WCDATDGNPYYCJT-ULQDDVLXSA-N 2 0 292.467 2.752 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CC4(CCC4)CO3)C2)CC1 ZINC000878549912 643938151 /nfs/dbraw/zinc/93/81/51/643938151.db2.gz RBFQFUCKNCAVNA-MRXNPFEDSA-N 2 0 292.467 2.753 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)C2)C1 ZINC000878652995 643975735 /nfs/dbraw/zinc/97/57/35/643975735.db2.gz WKWABETWEHLDCE-YJBOKZPZSA-N 2 0 294.483 2.998 20 0 CFADRP C=C/C=C\CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000878721219 644006898 /nfs/dbraw/zinc/00/68/98/644006898.db2.gz DYCGZUFJLWQWPF-WAYWQWQTSA-N 2 0 291.483 2.611 20 0 CFADRP FC1(F)CC(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746724 644013624 /nfs/dbraw/zinc/01/36/24/644013624.db2.gz CYQKKIKZIVHOCW-UHFFFAOYSA-N 2 0 281.350 2.639 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCOCC1CCC1)CC2 ZINC000879250527 644194690 /nfs/dbraw/zinc/19/46/90/644194690.db2.gz HRYJVCYJPPJFFP-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)CC2 ZINC000879250254 644195108 /nfs/dbraw/zinc/19/51/08/644195108.db2.gz AJAOGQNGCLVFBV-IKGGRYGDSA-N 2 0 292.467 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247167213 650899586 /nfs/dbraw/zinc/89/95/86/650899586.db2.gz UMFQHYJMWRFDQU-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000091846620 650909526 /nfs/dbraw/zinc/90/95/26/650909526.db2.gz JLHXLEBEWSCIKS-UHFFFAOYSA-N 2 0 282.815 2.921 20 0 CFADRP CCCc1nc(C[N@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000091847139 650909989 /nfs/dbraw/zinc/90/99/89/650909989.db2.gz VSWDYWFQTDXSBG-UHFFFAOYSA-N 2 0 267.442 2.797 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCC2)C1CCC([NH3+])CC1 ZINC000091847833 650910421 /nfs/dbraw/zinc/91/04/21/650910421.db2.gz LQNHQQOPXOGTBR-UHFFFAOYSA-N 2 0 258.409 2.877 20 0 CFADRP CC(C)C[N@H+](CCc1cscn1)CC1CC[NH+](C)CC1 ZINC000879703791 644389494 /nfs/dbraw/zinc/38/94/94/644389494.db2.gz XNBNXWCHXHBJPR-UHFFFAOYSA-N 2 0 295.496 2.985 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734286 644401797 /nfs/dbraw/zinc/40/17/97/644401797.db2.gz ILXAIRYQPBWJCX-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879950763 644470272 /nfs/dbraw/zinc/47/02/72/644470272.db2.gz BPPJRQSGAQOIOI-HZPDHXFCSA-N 2 0 280.456 2.894 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000093213382 650935169 /nfs/dbraw/zinc/93/51/69/650935169.db2.gz YEFXOQATQAZUMX-ADPBJBESSA-N 2 0 264.335 2.967 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093215315 650935192 /nfs/dbraw/zinc/93/51/92/650935192.db2.gz IAZRBPPIESDGKG-KKUMJFAQSA-N 2 0 262.397 2.622 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](SC)C2)CC1 ZINC000128298069 644603043 /nfs/dbraw/zinc/60/30/43/644603043.db2.gz UINWYXIDJZJLFB-KGLIPLIRSA-N 2 0 256.459 2.735 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](SC)C2)CC1 ZINC000128298494 644603461 /nfs/dbraw/zinc/60/34/61/644603461.db2.gz UINWYXIDJZJLFB-ZIAGYGMSSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]1C[N@H+](CCCCCCCO)CCN1c1cc[nH+]cc1 ZINC000880260423 644616990 /nfs/dbraw/zinc/61/69/90/644616990.db2.gz DHGAUWXWBPTSAW-INIZCTEOSA-N 2 0 291.439 2.535 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)c1ccccc1 ZINC000880461154 644720104 /nfs/dbraw/zinc/72/01/04/644720104.db2.gz DOPGNRCFVGDGHB-IAGOWNOFSA-N 2 0 276.424 2.526 20 0 CFADRP CO[C@H]1CC[C@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000880517849 644747638 /nfs/dbraw/zinc/74/76/38/644747638.db2.gz XSFJOFXQNBUGPL-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552349 644763720 /nfs/dbraw/zinc/76/37/20/644763720.db2.gz SXGUGZHVKMOVDJ-QZTJIDSGSA-N 2 0 299.462 2.955 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880579457 644776179 /nfs/dbraw/zinc/77/61/79/644776179.db2.gz WPLRKEXVPAFRIR-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc2c1CCOC2)C[NH+]1CCCC1 ZINC000882903877 645503530 /nfs/dbraw/zinc/50/35/30/645503530.db2.gz LPNCBNVLSHQPFH-OAHLLOKOSA-N 2 0 288.435 2.581 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883049882 645582796 /nfs/dbraw/zinc/58/27/96/645582796.db2.gz XTDICDWHYADENC-XGAARHLOSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000130961819 645602418 /nfs/dbraw/zinc/60/24/18/645602418.db2.gz QADMTRTWGUBWGQ-NEPJUHHUSA-N 2 0 258.475 2.979 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883172872 645639398 /nfs/dbraw/zinc/63/93/98/645639398.db2.gz WLGNMOPUNRESDS-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883186289 645649004 /nfs/dbraw/zinc/64/90/04/645649004.db2.gz OTRSGXGMOFINSE-DLBZAZTESA-N 2 0 293.499 2.572 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@H]2CCC[C@H]21 ZINC000883249526 645697190 /nfs/dbraw/zinc/69/71/90/645697190.db2.gz JBUSQUHEZLGTAU-XUWVNRHRSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000883262019 645706739 /nfs/dbraw/zinc/70/67/39/645706739.db2.gz TYDNUUHHTSPTCY-CZIWCDLHSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)[C@H]2CCC[C@@H]21 ZINC000883357897 645763820 /nfs/dbraw/zinc/76/38/20/645763820.db2.gz XGTZIWWUELQDEC-FZKCQIBNSA-N 2 0 278.440 2.551 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC1(C)C ZINC000883368768 645774516 /nfs/dbraw/zinc/77/45/16/645774516.db2.gz ARJWRCDKUOJREA-FMKPAKJESA-N 2 0 266.429 2.551 20 0 CFADRP C[N@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883415946 645809878 /nfs/dbraw/zinc/80/98/78/645809878.db2.gz ILEVKDQYOZPOMH-MSOLQXFVSA-N 2 0 288.435 2.981 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883417408 645811505 /nfs/dbraw/zinc/81/15/05/645811505.db2.gz ZILZKIFFQWOCOE-ROUUACIJSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883427000 645820030 /nfs/dbraw/zinc/82/00/30/645820030.db2.gz GDFLYKAFORVRSE-QWHCGFSZSA-N 2 0 260.372 2.873 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1C[NH3+] ZINC000883432599 645826615 /nfs/dbraw/zinc/82/66/15/645826615.db2.gz VRAIZYXHGHZGTB-JHJVBQTASA-N 2 0 260.372 2.729 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883434962 645827492 /nfs/dbraw/zinc/82/74/92/645827492.db2.gz GKXBUQPUCFSGMI-DZUCGIPZSA-N 2 0 274.408 2.718 20 0 CFADRP CC1(C)CCC[C@@H](CN2CC3CCC2(C[NH3+])CC3)O1 ZINC000883435149 645828914 /nfs/dbraw/zinc/82/89/14/645828914.db2.gz LMMCKZVQGQKUMP-BBBYJDLNSA-N 2 0 266.429 2.537 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000883435121 645829243 /nfs/dbraw/zinc/82/92/43/645829243.db2.gz KZFIFVXXDHJTAD-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000883439553 645833463 /nfs/dbraw/zinc/83/34/63/645833463.db2.gz UTFFOCRTLXSICV-GOEBONIOSA-N 2 0 280.456 2.785 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883441334 645834504 /nfs/dbraw/zinc/83/45/04/645834504.db2.gz LWQZTOOLMDFRJO-JJXSEGSLSA-N 2 0 274.408 2.622 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000883447360 645837365 /nfs/dbraw/zinc/83/73/65/645837365.db2.gz ACTNASSKJOEYDS-HNNXBMFYSA-N 2 0 284.407 2.605 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131991799 645858667 /nfs/dbraw/zinc/85/86/67/645858667.db2.gz WVBKGUBJIQOYTE-RLCCDNCMSA-N 2 0 256.349 2.945 20 0 CFADRP Cc1n[nH]c(CNCCC[N@@H+]2CCc3ccccc3C2)c1C ZINC000885915871 646767006 /nfs/dbraw/zinc/76/70/06/646767006.db2.gz HZLIHRRQXFKSEE-UHFFFAOYSA-N 2 0 298.434 2.565 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000885926749 646770983 /nfs/dbraw/zinc/77/09/83/646770983.db2.gz HVTLWVSMDSTULZ-WBVHZDCISA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885975311 646792169 /nfs/dbraw/zinc/79/21/69/646792169.db2.gz PPWGNZAYQIJJCB-YFCVBGDOSA-N 2 0 262.372 2.770 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885980359 646793849 /nfs/dbraw/zinc/79/38/49/646793849.db2.gz ZOKILGVMFARITD-IAGOWNOFSA-N 2 0 280.456 2.749 20 0 CFADRP C[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000886010012 646813593 /nfs/dbraw/zinc/81/35/93/646813593.db2.gz CBVNVMVMAMQPRE-SJLPKXTDSA-N 2 0 290.451 2.723 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000886156034 646899749 /nfs/dbraw/zinc/89/97/49/646899749.db2.gz UZNKJCMJUVMMMY-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCOC2CCCCC2)CC1 ZINC000886171371 646906811 /nfs/dbraw/zinc/90/68/11/646906811.db2.gz FQURCYXMVWYFBM-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC[C@H](C3CC3)O1)CC2 ZINC000886305945 646960774 /nfs/dbraw/zinc/96/07/74/646960774.db2.gz VCFVXSGHIMHTRN-DLBZAZTESA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)C[N@H+](C[C@H]1C[C@@]12CCOC2)CC1CC[NH+](C)CC1 ZINC000886310061 646962240 /nfs/dbraw/zinc/96/22/40/646962240.db2.gz COOHQYGXYUDIPN-QZTJIDSGSA-N 2 0 294.483 2.713 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC2(CCC2)C1 ZINC000886343278 646979305 /nfs/dbraw/zinc/97/93/05/646979305.db2.gz UBOFHCACJCQKKC-IKGGRYGDSA-N 2 0 292.467 2.942 20 0 CFADRP c1ccc(C(C[NH+]2C[C@@H]3C[C@@H]3C2)C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886348345 646981329 /nfs/dbraw/zinc/98/13/29/646981329.db2.gz LCLZFLJHCJBFMI-USTZCAOPSA-N 2 0 282.431 2.674 20 0 CFADRP C(C(C[N@@H+]1C[C@@H]2C[C@@H]2C1)C1CCCC1)[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886348909 646982118 /nfs/dbraw/zinc/98/21/18/646982118.db2.gz UWKOSSRWVRKKPI-WNKDZCFJSA-N 2 0 274.452 2.696 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000886422654 646998937 /nfs/dbraw/zinc/99/89/37/646998937.db2.gz VSUUKXAQTFXPTL-ZWKOTPCHSA-N 2 0 292.467 2.544 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccnc32)c1 ZINC000886497150 647019833 /nfs/dbraw/zinc/01/98/33/647019833.db2.gz UHTMTSBCFBNBKA-QGZVFWFLSA-N 2 0 281.403 2.920 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000886498708 647020449 /nfs/dbraw/zinc/02/04/49/647020449.db2.gz NPFSGZWJVSERBE-ISXOHVOVSA-N 2 0 292.423 2.700 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000886508571 647023357 /nfs/dbraw/zinc/02/33/57/647023357.db2.gz FNISVEDISBOVQD-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886516452 647025678 /nfs/dbraw/zinc/02/56/78/647025678.db2.gz ILFKEQZSZZPCAP-JCCCHCCOSA-N 2 0 280.456 2.941 20 0 CFADRP CCN(CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886521352 647027156 /nfs/dbraw/zinc/02/71/56/647027156.db2.gz YZOIBQQVHSEAIK-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP COC(=O)[C@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000886526322 647029949 /nfs/dbraw/zinc/02/99/49/647029949.db2.gz KFHGBGLWPNZXNL-HOTGVXAUSA-N 2 0 296.455 2.574 20 0 CFADRP CC[C@H](CCO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538625 647036620 /nfs/dbraw/zinc/03/66/20/647036620.db2.gz LIGZDKFSUORPTQ-KLAILNCOSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ncn1 ZINC000886557107 647046456 /nfs/dbraw/zinc/04/64/56/647046456.db2.gz SFIOYZKFQVRQDD-UHFFFAOYSA-N 2 0 288.439 2.672 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000886588572 647056367 /nfs/dbraw/zinc/05/63/67/647056367.db2.gz VAPBBKQMEQXAMM-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886601137 647062428 /nfs/dbraw/zinc/06/24/28/647062428.db2.gz KWNKBVSOABPHCX-SOEBMCCKSA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000886615289 647068853 /nfs/dbraw/zinc/06/88/53/647068853.db2.gz CFHAZZLIZYOCJU-CKDBGZEDSA-N 2 0 288.439 2.715 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000886638395 647081805 /nfs/dbraw/zinc/08/18/05/647081805.db2.gz SMWIVRBTVMIKRQ-WWDZGPRUSA-N 2 0 294.483 2.782 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000886638528 647082161 /nfs/dbraw/zinc/08/21/61/647082161.db2.gz WMWFLMQHHWZUHO-VUROTCPHSA-N 2 0 292.467 2.677 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000886643063 647084256 /nfs/dbraw/zinc/08/42/56/647084256.db2.gz JVBBMPLBCSEKGB-UHFFFAOYSA-N 2 0 289.423 2.674 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCCCCCO)CC1 ZINC000886710942 647118971 /nfs/dbraw/zinc/11/89/71/647118971.db2.gz JXOMHHZBRMOPMA-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)[C@@H](C)C1 ZINC000886729049 647123688 /nfs/dbraw/zinc/12/36/88/647123688.db2.gz YYFDZVLAAQCQKX-JYJNAYRXSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000886837065 647158269 /nfs/dbraw/zinc/15/82/69/647158269.db2.gz ASPSATYAYWBWCL-IAGOWNOFSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CCC3)CO1)CC[NH2+]CC2 ZINC000886839305 647158578 /nfs/dbraw/zinc/15/85/78/647158578.db2.gz BELHVLDCSIJLEH-HOTGVXAUSA-N 2 0 292.467 2.800 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000886837064 647158651 /nfs/dbraw/zinc/15/86/51/647158651.db2.gz ASPSATYAYWBWCL-DLBZAZTESA-N 2 0 292.467 2.657 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886840186 647159586 /nfs/dbraw/zinc/15/95/86/647159586.db2.gz VKWJIDGJTORPJO-MNOVXSKESA-N 2 0 282.375 2.561 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000886839640 647159630 /nfs/dbraw/zinc/15/96/30/647159630.db2.gz JCTCLGZSVICVBB-ULQDDVLXSA-N 2 0 292.467 2.657 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCSC(F)(F)F)C1 ZINC000886841782 647160566 /nfs/dbraw/zinc/16/05/66/647160566.db2.gz VJOKTIGVJDOOQY-NSHDSACASA-N 2 0 284.391 2.936 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000886857930 647162397 /nfs/dbraw/zinc/16/23/97/647162397.db2.gz GANPMUUOFOADKK-LSDHHAIUSA-N 2 0 293.480 2.706 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000886858404 647163049 /nfs/dbraw/zinc/16/30/49/647163049.db2.gz ZDTOLVAHCHTQBZ-OIISXLGYSA-N 2 0 286.419 2.591 20 0 CFADRP COc1ccc(CC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886868163 647164047 /nfs/dbraw/zinc/16/40/47/647164047.db2.gz WXHQEAVDKQDKCG-SFHVURJKSA-N 2 0 288.435 2.703 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886874050 647165048 /nfs/dbraw/zinc/16/50/48/647165048.db2.gz FJLHWDOGPBWNQO-QGZVFWFLSA-N 2 0 274.408 2.661 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872101 647165210 /nfs/dbraw/zinc/16/52/10/647165210.db2.gz JAIFRRJMJNVAOA-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876137 647166723 /nfs/dbraw/zinc/16/67/23/647166723.db2.gz MMWNESDIFBALAB-FUHWJXTLSA-N 2 0 292.467 2.801 20 0 CFADRP C(COCC[NH2+]C1(C2CC2)CCC1)[NH2+]C1(C2CC2)CCC1 ZINC000887147655 647231687 /nfs/dbraw/zinc/23/16/87/647231687.db2.gz WIHRFWVOXRWETE-UHFFFAOYSA-N 2 0 292.467 2.848 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925494833 647845588 /nfs/dbraw/zinc/84/55/88/647845588.db2.gz LKNHWYXJRBEAQZ-BZUAXINKSA-N 2 0 281.488 2.602 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925495126 647849401 /nfs/dbraw/zinc/84/94/01/647849401.db2.gz MZOQADBZOCSPRI-ZIAGYGMSSA-N 2 0 292.423 2.699 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000925498527 647861781 /nfs/dbraw/zinc/86/17/81/647861781.db2.gz QDSTUOREDOCKRJ-RBSFLKMASA-N 2 0 273.424 2.947 20 0 CFADRP CN(CCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925495941 647867712 /nfs/dbraw/zinc/86/77/12/647867712.db2.gz SUNUXWASNGDCTQ-IAGOWNOFSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000925496170 647870382 /nfs/dbraw/zinc/87/03/82/647870382.db2.gz YIDJDTYOHKKUDY-KKUMJFAQSA-N 2 0 293.480 2.615 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925500786 647887525 /nfs/dbraw/zinc/88/75/25/647887525.db2.gz FHLGESNMIKMLRK-PMPSAXMXSA-N 2 0 258.409 2.595 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOC1CCCCCC1 ZINC000925501344 647891319 /nfs/dbraw/zinc/89/13/19/647891319.db2.gz BYZBHCQFFPYHNP-KWOWKCNFSA-N 2 0 280.456 2.831 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924527130 647987399 /nfs/dbraw/zinc/98/73/99/647987399.db2.gz OWZOBZJIXIBCHM-UHFFFAOYSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC(NCC(C)(C)C[NH+](C)C)CC1 ZINC000924528168 647987945 /nfs/dbraw/zinc/98/79/45/647987945.db2.gz YJBGXEMXQAXAOU-UHFFFAOYSA-N 2 0 283.504 2.674 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000924566954 647996731 /nfs/dbraw/zinc/99/67/31/647996731.db2.gz KTFIHUDNKWMFHI-NNQSOWQGSA-N 2 0 296.361 2.718 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924574197 647998379 /nfs/dbraw/zinc/99/83/79/647998379.db2.gz UIKSMXCCAYREBD-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCC[C@H]3C)C2)CO1 ZINC000924574485 647998445 /nfs/dbraw/zinc/99/84/45/647998445.db2.gz YSDUVEWVZMBKRE-XNIRIUNOSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924583301 648001211 /nfs/dbraw/zinc/00/12/11/648001211.db2.gz RPQNGXMPSLATOQ-ROUUACIJSA-N 2 0 288.435 2.797 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924583302 648001359 /nfs/dbraw/zinc/00/13/59/648001359.db2.gz RPQNGXMPSLATOQ-ZWKOTPCHSA-N 2 0 288.435 2.797 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924604339 648005618 /nfs/dbraw/zinc/00/56/18/648005618.db2.gz RDATZOALEBYSED-ZWKOTPCHSA-N 2 0 288.435 2.940 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924604336 648005818 /nfs/dbraw/zinc/00/58/18/648005818.db2.gz RDATZOALEBYSED-MSOLQXFVSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924616669 648009144 /nfs/dbraw/zinc/00/91/44/648009144.db2.gz FGRSRDKRWATVRS-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP C([NH2+][C@@H]1CCOC12CCCCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924651101 648019604 /nfs/dbraw/zinc/01/96/04/648019604.db2.gz UYBAAJRRMIQZNA-GOEBONIOSA-N 2 0 278.440 2.552 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000924659565 648021160 /nfs/dbraw/zinc/02/11/60/648021160.db2.gz LUYCIEHJMRGAIU-DAWZGUTISA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924683147 648025413 /nfs/dbraw/zinc/02/54/13/648025413.db2.gz FKACGZCFPVKUBO-YYIAUSFCSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000924686074 648026970 /nfs/dbraw/zinc/02/69/70/648026970.db2.gz KJKDMWUHJSISGZ-TWMKSMIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1(Br)CC1)C[NH+]1CCCC1 ZINC000924717680 648034291 /nfs/dbraw/zinc/03/42/91/648034291.db2.gz WDWLOTVBDFHSHW-RYUDHWBXSA-N 2 0 289.261 2.624 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924844943 648058143 /nfs/dbraw/zinc/05/81/43/648058143.db2.gz CKVONDMTBVWGLD-MSOLQXFVSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cnn(C2CCC2)c1 ZINC000924852140 648059491 /nfs/dbraw/zinc/05/94/91/648059491.db2.gz DXJIVYIETFNBTA-CYBMUJFWSA-N 2 0 264.417 2.601 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(C)(C)O)cc1 ZINC000924855710 648060594 /nfs/dbraw/zinc/06/05/94/648060594.db2.gz XTPHQUWFQFTOTP-UONOGXRCSA-N 2 0 278.440 2.905 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000924883815 648066173 /nfs/dbraw/zinc/06/61/73/648066173.db2.gz ZICZEBKXTDQOPK-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924953919 648077273 /nfs/dbraw/zinc/07/72/73/648077273.db2.gz FRLDMVUTYWMWAC-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CCC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000924962801 648080801 /nfs/dbraw/zinc/08/08/01/648080801.db2.gz CCPZVMALBSVHCY-CRAIPNDOSA-N 2 0 293.499 2.571 20 0 CFADRP CCCC[N@H+](C)CCNC1CC[NH+](CCC(C)C)CC1 ZINC000925041226 648092378 /nfs/dbraw/zinc/09/23/78/648092378.db2.gz JDRUFPMLODDBSX-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1nonc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048961 648094222 /nfs/dbraw/zinc/09/42/22/648094222.db2.gz PGZMNOPNPZUWSJ-CYBMUJFWSA-N 2 0 280.416 2.685 20 0 CFADRP CSC[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925096226 648105140 /nfs/dbraw/zinc/10/51/40/648105140.db2.gz NZJNEQVAKRLDJP-CYBMUJFWSA-N 2 0 258.475 2.838 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000925146031 648116902 /nfs/dbraw/zinc/11/69/02/648116902.db2.gz CRGFCKGOYIEGPU-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@H](C)C1 ZINC000925167392 648122425 /nfs/dbraw/zinc/12/24/25/648122425.db2.gz CCGIFIGMNIHROS-OIYCOIKZSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1cn2c(n1)CCCC2 ZINC000925167490 648122527 /nfs/dbraw/zinc/12/25/27/648122527.db2.gz CRIHLIJPSUCLGM-KBPBESRZSA-N 2 0 299.422 2.644 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925175090 648123085 /nfs/dbraw/zinc/12/30/85/648123085.db2.gz DJYYLFXINFLXNK-HZPDHXFCSA-N 2 0 289.467 2.883 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925175091 648123291 /nfs/dbraw/zinc/12/32/91/648123291.db2.gz DJYYLFXINFLXNK-JKSUJKDBSA-N 2 0 289.467 2.883 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CCCC[C@H]1O ZINC000925211983 648132485 /nfs/dbraw/zinc/13/24/85/648132485.db2.gz DHBXFKUOFGNWIZ-QBPKDAKJSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925472131 648178205 /nfs/dbraw/zinc/17/82/05/648178205.db2.gz ASEFAWADQVRSDY-SJORKVTESA-N 2 0 288.435 2.971 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCCCC1 ZINC000925475164 648178222 /nfs/dbraw/zinc/17/82/22/648178222.db2.gz GDGPGAJGTMYIBG-FGTMMUONSA-N 2 0 294.483 2.686 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(F)cc1 ZINC000925479965 648180026 /nfs/dbraw/zinc/18/00/26/648180026.db2.gz TTYCPTPZLLBULQ-PASATYPHSA-N 2 0 288.410 2.689 20 0 CFADRP CCc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)[nH]n1 ZINC000925487720 648181462 /nfs/dbraw/zinc/18/14/62/648181462.db2.gz DQQVQIFQQWJOMV-INIZCTEOSA-N 2 0 272.396 2.542 20 0 CFADRP C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC[NH+]1CCCCC1 ZINC000925487255 648181503 /nfs/dbraw/zinc/18/15/03/648181503.db2.gz MJHKJHKCBDTPSU-QGZVFWFLSA-N 3 0 293.499 2.907 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925492454 648182180 /nfs/dbraw/zinc/18/21/80/648182180.db2.gz ISNLHQDPVCQIOE-UGFHNGPFSA-N 2 0 262.372 2.789 20 0 CFADRP CN(CCCC[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925495690 648182992 /nfs/dbraw/zinc/18/29/92/648182992.db2.gz RBARQRBLEROVEH-INIZCTEOSA-N 2 0 275.440 2.633 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925494645 648183081 /nfs/dbraw/zinc/18/30/81/648183081.db2.gz LEEMHNJSXXPVDN-QGZVFWFLSA-N 2 0 283.419 2.975 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925496328 648183415 /nfs/dbraw/zinc/18/34/15/648183415.db2.gz QJQYFXVOQJTGDU-PVAVHDDUSA-N 2 0 287.451 2.552 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925501464 648186562 /nfs/dbraw/zinc/18/65/62/648186562.db2.gz BXJRXFMVONGPCE-ARFHVFGLSA-N 2 0 282.472 2.541 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCNc2ccccc2)C1 ZINC000925506341 648188560 /nfs/dbraw/zinc/18/85/60/648188560.db2.gz WAGMQLKJPHIMIE-HOCLYGCPSA-N 2 0 275.440 2.984 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925505887 648188684 /nfs/dbraw/zinc/18/86/84/648188684.db2.gz PFMSGDKLKHNACF-GJZGRUSLSA-N 2 0 276.424 2.733 20 0 CFADRP CSCCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925505823 648188837 /nfs/dbraw/zinc/18/88/37/648188837.db2.gz STWMZOGRPJXDIY-CABCVRRESA-N 2 0 270.486 2.888 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925507783 648189040 /nfs/dbraw/zinc/18/90/40/648189040.db2.gz NCWVXSBXJOGMHB-WKPIXPDZSA-N 2 0 296.361 2.592 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCn2cnc3ccccc32)C[C@@H]([NH3+])C1 ZINC000925508829 648190680 /nfs/dbraw/zinc/19/06/80/648190680.db2.gz SIJMBJKWRWSBQE-KGLIPLIRSA-N 2 0 286.423 2.532 20 0 CFADRP CC1CC[NH+](CCCN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925510996 648191564 /nfs/dbraw/zinc/19/15/64/648191564.db2.gz DHFPDPACSLHUJW-HOTGVXAUSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)C2)cc1 ZINC000925513386 648192901 /nfs/dbraw/zinc/19/29/01/648192901.db2.gz IZEHDVUQKWIBAF-JQHSSLGASA-N 2 0 299.462 2.823 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000925512815 648192981 /nfs/dbraw/zinc/19/29/81/648192981.db2.gz CHNKQXFKQSXFKD-KBPBESRZSA-N 2 0 250.430 2.918 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925516804 648194503 /nfs/dbraw/zinc/19/45/03/648194503.db2.gz IVAVAWJUYZSHBL-ZBFHGGJFSA-N 2 0 289.423 2.641 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925516802 648194713 /nfs/dbraw/zinc/19/47/13/648194713.db2.gz IVAVAWJUYZSHBL-HOCLYGCPSA-N 2 0 289.423 2.641 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)C12CCC2 ZINC000925520432 648196204 /nfs/dbraw/zinc/19/62/04/648196204.db2.gz VQBOYOKEFYWDEI-DJIMGWMZSA-N 2 0 270.420 2.966 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCC2 ZINC000925520152 648196461 /nfs/dbraw/zinc/19/64/61/648196461.db2.gz QUYGSMIWJXORKA-MSOLQXFVSA-N 3 0 299.462 2.642 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925520802 648197508 /nfs/dbraw/zinc/19/75/08/648197508.db2.gz SRNFQBFOWHHPJT-IAGOWNOFSA-N 2 0 293.499 2.619 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925529157 648201276 /nfs/dbraw/zinc/20/12/76/648201276.db2.gz WVHSPZIERVQYHQ-HOTGVXAUSA-N 2 0 276.424 2.829 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925528029 648201390 /nfs/dbraw/zinc/20/13/90/648201390.db2.gz RULMPYUBHDNCHS-ZNMIVQPWSA-N 2 0 270.461 2.527 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2ccsc2)C[C@@H]([NH3+])C1 ZINC000925528244 648201465 /nfs/dbraw/zinc/20/14/65/648201465.db2.gz QYBGSAGPEXSVPP-OLZOCXBDSA-N 2 0 252.427 2.786 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2cc(F)ccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530828 648202622 /nfs/dbraw/zinc/20/26/22/648202622.db2.gz VPYOALXNNURIJW-VNQPRFMTSA-N 2 0 294.389 2.874 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCOC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925532306 648203747 /nfs/dbraw/zinc/20/37/47/648203747.db2.gz QNEUYMCAABKCJG-OWCLPIDISA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000925536638 648205321 /nfs/dbraw/zinc/20/53/21/648205321.db2.gz PYDHQXPOXSZJKL-HOTGVXAUSA-N 2 0 262.397 2.625 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925537702 648206049 /nfs/dbraw/zinc/20/60/49/648206049.db2.gz LPZUEBZFKSJZBZ-ILXRZTDVSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(F)c1 ZINC000925542138 648207997 /nfs/dbraw/zinc/20/79/97/648207997.db2.gz NOJPGZPVZJUEEU-BMFZPTHFSA-N 2 0 292.398 2.843 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccncc1 ZINC000925540398 648208190 /nfs/dbraw/zinc/20/81/90/648208190.db2.gz CHQMOIIAMVCMLY-JLSDUUJJSA-N 2 0 287.451 2.943 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925543804 648208800 /nfs/dbraw/zinc/20/88/00/648208800.db2.gz WMSYMGSAKWUDCR-MTERUZRBSA-N 2 0 280.456 2.558 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925543318 648209485 /nfs/dbraw/zinc/20/94/85/648209485.db2.gz RNBKIUPIXBFWKB-XWTMOSNGSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000925545691 648209935 /nfs/dbraw/zinc/20/99/35/648209935.db2.gz JPWVFUKLAFZJQV-OWCLPIDISA-N 2 0 279.472 2.514 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925559587 648216470 /nfs/dbraw/zinc/21/64/70/648216470.db2.gz WIWHMNJBULRPOW-VHDGCEQUSA-N 2 0 293.842 2.644 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)sc1C ZINC000925562466 648218615 /nfs/dbraw/zinc/21/86/15/648218615.db2.gz WYELEOCPQXJBHV-STQMWFEESA-N 2 0 281.469 2.798 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cs1 ZINC000925565622 648219513 /nfs/dbraw/zinc/21/95/13/648219513.db2.gz VJYRVXOBYCXUAQ-YPMHNXCESA-N 2 0 281.469 2.744 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925565376 648219760 /nfs/dbraw/zinc/21/97/60/648219760.db2.gz QFOBTRFQNREBOX-HZPDHXFCSA-N 2 0 270.420 2.886 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)[nH]n1 ZINC000925564653 648220019 /nfs/dbraw/zinc/22/00/19/648220019.db2.gz ZVZHNNAQBUGSMA-AWEZNQCLSA-N 2 0 292.471 2.749 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1C ZINC000925567538 648220704 /nfs/dbraw/zinc/22/07/04/648220704.db2.gz OWHATGMNFGVUMX-KGLIPLIRSA-N 2 0 278.444 2.515 20 0 CFADRP c1csc(CCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925570936 648222354 /nfs/dbraw/zinc/22/23/54/648222354.db2.gz ZHKVAXAPXCMBGQ-CABCVRRESA-N 2 0 293.480 2.834 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925572722 648223613 /nfs/dbraw/zinc/22/36/13/648223613.db2.gz NLJGSIBDXQQOKX-CWRNSKLLSA-N 2 0 282.472 2.541 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925572724 648223936 /nfs/dbraw/zinc/22/39/36/648223936.db2.gz NLJGSIBDXQQOKX-IMJJTQAJSA-N 2 0 282.472 2.541 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925578035 648224793 /nfs/dbraw/zinc/22/47/93/648224793.db2.gz YYHIMNBENRNFKM-NRKLIOEPSA-N 2 0 294.483 2.804 20 0 CFADRP C(CC1CCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925582094 648226154 /nfs/dbraw/zinc/22/61/54/648226154.db2.gz XAZGYJBSBDXGIG-CVEARBPZSA-N 2 0 250.430 2.935 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(F)c1 ZINC000925581619 648226762 /nfs/dbraw/zinc/22/67/62/648226762.db2.gz UCMLVADJUUDHCH-OLZOCXBDSA-N 2 0 280.387 2.830 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000925596906 648233062 /nfs/dbraw/zinc/23/30/62/648233062.db2.gz UXSYIWIMZYWWJZ-STQMWFEESA-N 2 0 285.395 2.585 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000925596905 648233312 /nfs/dbraw/zinc/23/33/12/648233312.db2.gz UXSYIWIMZYWWJZ-QWHCGFSZSA-N 2 0 285.395 2.585 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccccc2-n2ccnc2)C1 ZINC000925608247 648237690 /nfs/dbraw/zinc/23/76/90/648237690.db2.gz UQABVXTVXIEPCK-HOTGVXAUSA-N 2 0 298.434 2.868 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000925608480 648238101 /nfs/dbraw/zinc/23/81/01/648238101.db2.gz YSMAXOVFDDCMIG-SJORKVTESA-N 2 0 298.434 2.830 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H](C)[C@@H]1OC ZINC000925615498 648239939 /nfs/dbraw/zinc/23/99/39/648239939.db2.gz NORHYNVUWUWFTM-KHMAMNHCSA-N 2 0 280.456 2.686 20 0 CFADRP Oc1ccccc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617432 648241872 /nfs/dbraw/zinc/24/18/72/648241872.db2.gz QPTVQXXYBAMFRS-SJORKVTESA-N 2 0 288.435 2.693 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925619234 648242351 /nfs/dbraw/zinc/24/23/51/648242351.db2.gz YMTDDESBDVIANG-SJORKVTESA-N 2 0 288.435 2.877 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925618347 648242679 /nfs/dbraw/zinc/24/26/79/648242679.db2.gz ZREKSFOFZBPERA-OWYFMNJBSA-N 2 0 280.456 2.556 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CCCN[C@H]2C)c1 ZINC000925621324 648243924 /nfs/dbraw/zinc/24/39/24/648243924.db2.gz HCINDQMICOHLQI-BBRMVZONSA-N 2 0 276.424 2.703 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925621633 648244242 /nfs/dbraw/zinc/24/42/42/648244242.db2.gz FUDVSWWWELIXKP-FMKPAKJESA-N 2 0 270.461 2.669 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)c1cccc(F)c1 ZINC000925621289 648244296 /nfs/dbraw/zinc/24/42/96/648244296.db2.gz ZXCRXXAUVPDGOP-KSYCFECVSA-N 2 0 294.414 2.743 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000925626314 648246392 /nfs/dbraw/zinc/24/63/92/648246392.db2.gz PSAVPPHSZOCWLO-MRXNPFEDSA-N 2 0 258.409 2.522 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925629996 648248602 /nfs/dbraw/zinc/24/86/02/648248602.db2.gz PAMAPFCZVIEGQO-JQFCIGGWSA-N 2 0 288.435 2.733 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925629652 648248915 /nfs/dbraw/zinc/24/89/15/648248915.db2.gz LRVUTFZCBCNCFZ-VWYCJHECSA-N 2 0 296.402 2.648 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925629998 648248938 /nfs/dbraw/zinc/24/89/38/648248938.db2.gz PAMAPFCZVIEGQO-XKQJLSEDSA-N 2 0 288.435 2.733 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925630085 648249222 /nfs/dbraw/zinc/24/92/22/648249222.db2.gz QGQICNDUOVCAPN-ARFHVFGLSA-N 2 0 280.456 2.844 20 0 CFADRP CCCCn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(C)n1 ZINC000925630830 648249665 /nfs/dbraw/zinc/24/96/65/648249665.db2.gz QNPVNRATNYJSTO-HZPDHXFCSA-N 2 0 292.471 2.987 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)c21 ZINC000925630109 648250322 /nfs/dbraw/zinc/25/03/22/648250322.db2.gz QXPVWXQXNJKUHX-JKSUJKDBSA-N 2 0 299.418 2.579 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925634110 648252014 /nfs/dbraw/zinc/25/20/14/648252014.db2.gz LLKVZGNWRPNBSP-CJNGLKHVSA-N 2 0 261.413 2.609 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C13CCC3)CCC2 ZINC000925633496 648252073 /nfs/dbraw/zinc/25/20/73/648252073.db2.gz YBFGXOAEUWUZMR-JHJVBQTASA-N 2 0 277.437 2.688 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cncc(F)c1 ZINC000925635582 648253707 /nfs/dbraw/zinc/25/37/07/648253707.db2.gz RWZYWQOQDAMGMF-GDLCADMTSA-N 2 0 265.376 2.777 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO[C@@H]1C1CC1 ZINC000925642470 648258254 /nfs/dbraw/zinc/25/82/54/648258254.db2.gz TVLHHWSQIRREEU-DLTWYDFYSA-N 2 0 280.456 2.687 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO[C@H]1C1CC1 ZINC000925642469 648258289 /nfs/dbraw/zinc/25/82/89/648258289.db2.gz TVLHHWSQIRREEU-AESZEHBQSA-N 2 0 280.456 2.687 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC2)C12CCC2 ZINC000925647649 648260378 /nfs/dbraw/zinc/26/03/78/648260378.db2.gz ZWBOWPAXFHDHGG-CABCVRRESA-N 2 0 256.393 2.621 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925650927 648261674 /nfs/dbraw/zinc/26/16/74/648261674.db2.gz SMLNBSDJXPZKPN-GLQYFDAESA-N 2 0 294.826 2.967 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925652844 648262878 /nfs/dbraw/zinc/26/28/78/648262878.db2.gz BAMXVHJDHZWBFV-HOTGVXAUSA-N 2 0 279.472 2.514 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925656653 648264751 /nfs/dbraw/zinc/26/47/51/648264751.db2.gz ZBAKKCJJAGZNPP-YZUHTNEWSA-N 2 0 270.420 2.966 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655199 648265041 /nfs/dbraw/zinc/26/50/41/648265041.db2.gz QZPPPTWQBDLELD-VVLHAWIVSA-N 2 0 294.483 2.541 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925656567 648265532 /nfs/dbraw/zinc/26/55/32/648265532.db2.gz YLWPRRCVUZVNDJ-GJZQLZGMSA-N 2 0 282.431 2.827 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[C@@H]([NH3+])C1 ZINC000925657529 648266232 /nfs/dbraw/zinc/26/62/32/648266232.db2.gz TXVGLPGCSVNQLO-TUAOUCFPSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C12CCC2 ZINC000925659698 648267874 /nfs/dbraw/zinc/26/78/74/648267874.db2.gz FPLUTXMZFIXPQT-ZNMIVQPWSA-N 2 0 276.811 2.667 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1ccccc1F ZINC000925663027 648268942 /nfs/dbraw/zinc/26/89/42/648268942.db2.gz NZKPQHYIIUAGHB-KWOWKCNFSA-N 2 0 276.399 2.864 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925672185 648273527 /nfs/dbraw/zinc/27/35/27/648273527.db2.gz TVPRZCRFOABCQY-HUUCEWRRSA-N 2 0 270.486 2.886 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925675630 648275386 /nfs/dbraw/zinc/27/53/86/648275386.db2.gz XMMDJMRZWMOCGU-KFWWJZLASA-N 2 0 250.430 2.933 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925677288 648275548 /nfs/dbraw/zinc/27/55/48/648275548.db2.gz SEMNBSIBMMIRNH-INMHGKMJSA-N 2 0 277.456 2.785 20 0 CFADRP COc1cc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)ccc1Cl ZINC000925677176 648275684 /nfs/dbraw/zinc/27/56/84/648275684.db2.gz VSXOQWGZXSIBNW-GJZGRUSLSA-N 2 0 294.826 2.751 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925676124 648275726 /nfs/dbraw/zinc/27/57/26/648275726.db2.gz YZLOJOXHPUPACE-DOTOQJQBSA-N 2 0 288.435 2.856 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925683531 648278242 /nfs/dbraw/zinc/27/82/42/648278242.db2.gz RRAXZWWTLGMYOG-FUHWJXTLSA-N 2 0 287.451 2.690 20 0 CFADRP CN1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925687083 648280665 /nfs/dbraw/zinc/28/06/65/648280665.db2.gz FHSNIALHHJVINK-XIRDDKMYSA-N 2 0 285.435 2.817 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)(F)F ZINC000925698651 648285050 /nfs/dbraw/zinc/28/50/50/648285050.db2.gz SYSXVXIGSDJBND-WYUUTHIRSA-N 2 0 278.362 2.941 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925702908 648286444 /nfs/dbraw/zinc/28/64/44/648286444.db2.gz BBPVJUXUCBJEQO-QGZVFWFLSA-N 2 0 271.408 2.774 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@H]1[C@@H]3[NH2+]C[C@@H]4C[C@H]1C[C@@H]43)CC2 ZINC000925706494 648288813 /nfs/dbraw/zinc/28/88/13/648288813.db2.gz KAUKSPDSKDDQLK-ZTIWIDCXSA-N 2 0 282.378 2.540 20 0 CFADRP Cn1ncc(C2CC2)c1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925709050 648290465 /nfs/dbraw/zinc/29/04/65/648290465.db2.gz NWLKPMKVLCTQJH-KRWDZBQOSA-N 2 0 298.434 2.867 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925710006 648290919 /nfs/dbraw/zinc/29/09/19/648290919.db2.gz BBEKAOLXSYBVCH-ZGOPYKFNSA-N 2 0 288.410 2.733 20 0 CFADRP CC1(C)[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925711777 648291210 /nfs/dbraw/zinc/29/12/10/648291210.db2.gz RLEIIKBQRKTOID-NJAFHUGGSA-N 2 0 299.462 2.911 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccnc2ccccc12 ZINC000925710975 648291230 /nfs/dbraw/zinc/29/12/30/648291230.db2.gz YOSDPQBKZLYAHJ-JOUKPKRSSA-N 2 0 295.430 2.883 20 0 CFADRP c1coc(CCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925715681 648293783 /nfs/dbraw/zinc/29/37/83/648293783.db2.gz KKHZZBZFROBQGX-IRXDYDNUSA-N 2 0 276.424 2.970 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000925716404 648295374 /nfs/dbraw/zinc/29/53/74/648295374.db2.gz QCWQGHIMGQHDNE-QWHCGFSZSA-N 2 0 250.386 2.708 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccccc1 ZINC000925722891 648298001 /nfs/dbraw/zinc/29/80/01/648298001.db2.gz OTOKRZNWYUCWDS-HNNXBMFYSA-N 2 0 273.355 2.791 20 0 CFADRP CC1(C)CC[C@H](CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)[NH2+]C1 ZINC000925725370 648298839 /nfs/dbraw/zinc/29/88/39/648298839.db2.gz JZDLTEYMFLLVTA-ZACQAIPSSA-N 2 0 293.499 2.523 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000925726817 648299896 /nfs/dbraw/zinc/29/98/96/648299896.db2.gz WLDNFKGBNDNEGL-IPELMVKDSA-N 2 0 297.446 2.625 20 0 CFADRP CCSc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000925731493 648300785 /nfs/dbraw/zinc/30/07/85/648300785.db2.gz LDKWWVGCCWOFSP-APHBMKBZSA-N 2 0 294.464 2.641 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925732022 648302032 /nfs/dbraw/zinc/30/20/32/648302032.db2.gz WLQPUJUEABDYGL-QWHCGFSZSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925736713 648303177 /nfs/dbraw/zinc/30/31/77/648303177.db2.gz NSNQIDUYXQBIIU-AVGNSLFASA-N 2 0 260.372 2.919 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000925736753 648304589 /nfs/dbraw/zinc/30/45/89/648304589.db2.gz OMPGMSKHVKTORT-JHJVBQTASA-N 2 0 260.372 2.790 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1sccc1Br ZINC000925764309 648311688 /nfs/dbraw/zinc/31/16/88/648311688.db2.gz YBONCQUSOOSMAP-VHSXEESVSA-N 2 0 289.242 2.523 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000925769800 648315018 /nfs/dbraw/zinc/31/50/18/648315018.db2.gz RFOROHMLZNQVEH-BZPMIXESSA-N 2 0 278.396 2.624 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925776349 648319325 /nfs/dbraw/zinc/31/93/25/648319325.db2.gz XDEUNAZQYYSREZ-IXDOHACOSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779065 648320461 /nfs/dbraw/zinc/32/04/61/648320461.db2.gz WBOPTOZFXLEUPE-HIFRSBDPSA-N 2 0 297.393 2.627 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000925785875 648323160 /nfs/dbraw/zinc/32/31/60/648323160.db2.gz PPOODFUTWNDRQX-JFBXJRRNSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000925790398 648324031 /nfs/dbraw/zinc/32/40/31/648324031.db2.gz IGONNIYIKNZRTL-TYNCELHUSA-N 2 0 294.826 2.999 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000925801082 648327220 /nfs/dbraw/zinc/32/72/20/648327220.db2.gz SZUGKHKUUGNYRQ-KFNAQCHYSA-N 2 0 262.372 2.648 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000925801081 648327381 /nfs/dbraw/zinc/32/73/81/648327381.db2.gz SZUGKHKUUGNYRQ-AXAPSJFSSA-N 2 0 262.372 2.648 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799169 648327542 /nfs/dbraw/zinc/32/75/42/648327542.db2.gz MVFLFTRJQHYMPE-MGPQQGTHSA-N 2 0 266.454 2.904 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801110 648327564 /nfs/dbraw/zinc/32/75/64/648327564.db2.gz UHPAFBXONXNWJH-RBSFLKMASA-N 2 0 276.424 2.982 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC2(c3ccccc3)CC2)C1 ZINC000925804604 648329005 /nfs/dbraw/zinc/32/90/05/648329005.db2.gz KGOXTXNTRSKDBQ-HZPDHXFCSA-N 2 0 258.409 2.968 20 0 CFADRP CC[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925805998 648329008 /nfs/dbraw/zinc/32/90/08/648329008.db2.gz ANVNQDVWHGAPSU-DLBZAZTESA-N 2 0 282.472 2.951 20 0 CFADRP c1ccc(C2(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925806333 648329062 /nfs/dbraw/zinc/32/90/62/648329062.db2.gz ZTKGXIXAAJZMEK-XWJBARJFSA-N 2 0 282.431 2.694 20 0 CFADRP C(CC[NH2+]C1CCN(C2CC2)CC1)CCC1CC[NH2+]CC1 ZINC000925808877 648330172 /nfs/dbraw/zinc/33/01/72/648330172.db2.gz QKIVFEYRXZJAOP-UHFFFAOYSA-N 2 0 293.499 2.763 20 0 CFADRP C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CCC1CC[NH2+]CC1 ZINC000925810145 648330756 /nfs/dbraw/zinc/33/07/56/648330756.db2.gz XEVYLXSEAWZDKC-ZWKOTPCHSA-N 3 0 293.499 2.763 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000925815203 648332215 /nfs/dbraw/zinc/33/22/15/648332215.db2.gz UQAFBUZIOHPBRX-PBHICJAKSA-N 2 0 283.419 2.755 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925820647 648333500 /nfs/dbraw/zinc/33/35/00/648333500.db2.gz DZDNNENXNKGLDF-SAGYGOJTSA-N 3 0 293.499 2.904 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000925824610 648334061 /nfs/dbraw/zinc/33/40/61/648334061.db2.gz BLNFJXWROJIVGG-UITYPMEYSA-N 2 0 290.382 2.564 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000925826030 648335466 /nfs/dbraw/zinc/33/54/66/648335466.db2.gz KWQPXIVTJGXTNM-KYOSRNDESA-N 2 0 266.360 2.565 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925829864 648336222 /nfs/dbraw/zinc/33/62/22/648336222.db2.gz ALNWURPBQVAOIE-QCNOEVLYSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CCSCC1 ZINC000925836652 648339562 /nfs/dbraw/zinc/33/95/62/648339562.db2.gz CHIKSMOPBUCPPH-NWANDNLSSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842349 648342445 /nfs/dbraw/zinc/34/24/45/648342445.db2.gz JCESEGHBCDZNFK-IAOVAPTHSA-N 2 0 276.399 2.879 20 0 CFADRP C([NH2+]C1CCC2(CCOCC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925845175 648343102 /nfs/dbraw/zinc/34/31/02/648343102.db2.gz XKMPTPZLCQSTBX-SJLPKXTDSA-N 2 0 292.467 2.848 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCS1 ZINC000925862230 648347655 /nfs/dbraw/zinc/34/76/55/648347655.db2.gz YNSMUZAPJUOPOB-XHJNMGKDSA-N 2 0 268.470 2.637 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C[C@@H]([NH3+])C1 ZINC000925860877 648348297 /nfs/dbraw/zinc/34/82/97/648348297.db2.gz LILXBKVNHSETRW-CTMQZQKCSA-N 3 0 293.499 2.889 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925877538 648353106 /nfs/dbraw/zinc/35/31/06/648353106.db2.gz RQBPVKBZVGPHMA-IMJJTQAJSA-N 2 0 276.424 2.733 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000925880134 648353829 /nfs/dbraw/zinc/35/38/29/648353829.db2.gz ONLWYMRFIXIGGQ-APHBMKBZSA-N 2 0 259.397 2.640 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000925879567 648354041 /nfs/dbraw/zinc/35/40/41/648354041.db2.gz IAYOIXWYAARAJF-UGFHNGPFSA-N 2 0 282.815 2.745 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925883062 648354327 /nfs/dbraw/zinc/35/43/27/648354327.db2.gz SWDZEBKRODIHNZ-QPSCCSFWSA-N 2 0 268.445 2.543 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C2CC2)c1 ZINC000925882324 648354344 /nfs/dbraw/zinc/35/43/44/648354344.db2.gz KPKTTXXADDUTKO-HFTRVMKXSA-N 2 0 288.435 2.733 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCCCC2 ZINC000925882507 648354478 /nfs/dbraw/zinc/35/44/78/648354478.db2.gz NRJDWDHQZSRJTK-QKPAOTATSA-N 2 0 280.456 2.831 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(CC)CC ZINC000925883896 648355158 /nfs/dbraw/zinc/35/51/58/648355158.db2.gz YSQYPQPAMJWTPV-BARDWOONSA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)C[C@@H]([NH3+])C1 ZINC000925893489 648358257 /nfs/dbraw/zinc/35/82/57/648358257.db2.gz OOSSHNBIIHISRZ-RDBSUJKOSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926226837 648441058 /nfs/dbraw/zinc/44/10/58/648441058.db2.gz WZVWFLUYSWPLMH-COXVUDFISA-N 2 0 276.424 2.702 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C(C)C)C(C)(C)O)CC1 ZINC000926266136 648451609 /nfs/dbraw/zinc/45/16/09/648451609.db2.gz SIMKSTRWHNMNOU-INIZCTEOSA-N 2 0 284.488 2.882 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926287084 648454981 /nfs/dbraw/zinc/45/49/81/648454981.db2.gz MFIAQUFOLDGOHM-KEYYUXOJSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926422309 648483375 /nfs/dbraw/zinc/48/33/75/648483375.db2.gz SRBALZPMUNCVLM-RHSMWYFYSA-N 2 0 278.440 2.663 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)OC ZINC000926460999 648496194 /nfs/dbraw/zinc/49/61/94/648496194.db2.gz HSOYNQFQMYPOPQ-CJNGLKHVSA-N 2 0 264.413 2.824 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)nn1 ZINC000926485822 648505483 /nfs/dbraw/zinc/50/54/83/648505483.db2.gz BUIBLYPSBIHCJV-HNNXBMFYSA-N 2 0 293.459 2.776 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCC1(F)F ZINC000926503776 648511781 /nfs/dbraw/zinc/51/17/81/648511781.db2.gz YHVFEYZKUYAUBZ-RBKKPWLPSA-N 2 0 272.383 2.742 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926509221 648513670 /nfs/dbraw/zinc/51/36/70/648513670.db2.gz IYBYWIFHCPWPLW-CABCVRRESA-N 2 0 278.440 2.950 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926559092 648533612 /nfs/dbraw/zinc/53/36/12/648533612.db2.gz LWRBOUFISROERM-NSHDSACASA-N 2 0 265.401 2.816 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000926573551 648538944 /nfs/dbraw/zinc/53/89/44/648538944.db2.gz NLIPARLWVSVJBL-KGLIPLIRSA-N 2 0 290.407 2.798 20 0 CFADRP C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926639390 648558270 /nfs/dbraw/zinc/55/82/70/648558270.db2.gz RHLMUQRCBMQFNC-XJKCOSOUSA-N 2 0 262.397 2.576 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)COCC2CC2)CC1 ZINC000926649241 648562144 /nfs/dbraw/zinc/56/21/44/648562144.db2.gz CAKICCKZQIGHSU-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cccc2c1[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000926665628 648566887 /nfs/dbraw/zinc/56/68/87/648566887.db2.gz JCZFDNROWWTUAT-VNQPRFMTSA-N 2 0 258.409 2.912 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926668180 648568797 /nfs/dbraw/zinc/56/87/97/648568797.db2.gz WHPXNMHCOVLGQP-IAGOWNOFSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000926684763 648575709 /nfs/dbraw/zinc/57/57/09/648575709.db2.gz WDUWMUNULHHUKX-KRWDZBQOSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926718796 648588988 /nfs/dbraw/zinc/58/89/88/648588988.db2.gz RHBCQHNODJQEAF-KSTDHSDQSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@@H]([NH2+]CCN(C)CC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926776677 648611364 /nfs/dbraw/zinc/61/13/64/648611364.db2.gz WKTHWLLYFKVYCK-CYBMUJFWSA-N 2 0 299.409 2.596 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000926782695 648613328 /nfs/dbraw/zinc/61/33/28/648613328.db2.gz HISXERZFMIYOEF-IIAWOOMASA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)CC[NH+]1CCC(N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000926807431 648623898 /nfs/dbraw/zinc/62/38/98/648623898.db2.gz MUIFLTGPTCCJAJ-GOSISDBHSA-N 2 0 295.515 2.769 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc2ncccc2c1 ZINC000926882078 648644472 /nfs/dbraw/zinc/64/44/72/648644472.db2.gz KOJJSGULSURXOD-JJTKIYQPSA-N 2 0 295.430 2.707 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(C)(C)CO ZINC000926887185 648646524 /nfs/dbraw/zinc/64/65/24/648646524.db2.gz GTPIWOPBIKZQGU-HPUBIQBYSA-N 2 0 282.472 2.780 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC2(CCC2)O1 ZINC000927018195 648684030 /nfs/dbraw/zinc/68/40/30/648684030.db2.gz OSKAKOXBYPNNIJ-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@]1(C)CCCO1 ZINC000927038378 648690421 /nfs/dbraw/zinc/69/04/21/648690421.db2.gz QBEKUIDYEJVXQE-ZGRYLRDCSA-N 2 0 280.456 2.941 20 0 CFADRP CCOC1CC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927039866 648690449 /nfs/dbraw/zinc/69/04/49/648690449.db2.gz VVYWKHRVOOCKLH-UHFFFAOYSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1ccc(NCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1 ZINC000927073159 648698540 /nfs/dbraw/zinc/69/85/40/648698540.db2.gz KNMIWAIQRZBOCW-UHFFFAOYSA-N 2 0 290.455 2.654 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2OCCc3ccccc32)CC[N@@H+]1C ZINC000927116487 648718098 /nfs/dbraw/zinc/71/80/98/648718098.db2.gz RBFWNWLOJVQWJD-HFTRVMKXSA-N 2 0 288.435 2.763 20 0 CFADRP CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929507260 649063151 /nfs/dbraw/zinc/06/31/51/649063151.db2.gz SQWKRUMWRGMRHD-HOCLYGCPSA-N 2 0 298.471 2.626 20 0 CFADRP COC[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000929687535 649096975 /nfs/dbraw/zinc/09/69/75/649096975.db2.gz MNPYYUMRSQADOF-SJORKVTESA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000929697356 649100213 /nfs/dbraw/zinc/10/02/13/649100213.db2.gz SJUDIFDPUYPSHY-TWMKSMIVSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929778490 649118795 /nfs/dbraw/zinc/11/87/95/649118795.db2.gz KGWATQJZTOFHFN-APIJFGDWSA-N 2 0 286.410 2.941 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)C(C)C)C[C@H]1C ZINC000929782336 649120879 /nfs/dbraw/zinc/12/08/79/649120879.db2.gz UWPQJEUMLZZMFH-OAGGEKHMSA-N 2 0 270.461 2.710 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)CCc2cccc(F)c2)CCN1C ZINC000929783714 649121172 /nfs/dbraw/zinc/12/11/72/649121172.db2.gz ZAXKXKLMNJDNQS-CJNGLKHVSA-N 2 0 264.388 2.783 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cccc(F)c3)CC[C@@H]21 ZINC000929842939 649137151 /nfs/dbraw/zinc/13/71/51/649137151.db2.gz FSASDJISLWDABV-RDJZCZTQSA-N 2 0 276.399 2.784 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cccnc2)[C@@H](C)C1 ZINC000929998474 649163030 /nfs/dbraw/zinc/16/30/30/649163030.db2.gz FGQNVBBULWKKAH-DOTOQJQBSA-N 2 0 275.440 2.676 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000930460054 649253750 /nfs/dbraw/zinc/25/37/50/649253750.db2.gz LNQJRLBGBYWAAK-IKFPHNIQSA-N 2 0 280.456 2.747 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)[nH]1 ZINC000930511908 649264229 /nfs/dbraw/zinc/26/42/29/649264229.db2.gz PNNNQAUHFDXFDY-MRXNPFEDSA-N 2 0 296.418 2.664 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC000930554971 649272306 /nfs/dbraw/zinc/27/23/06/649272306.db2.gz KYJLYLNTBNXDNL-KRWDZBQOSA-N 2 0 262.441 2.984 20 0 CFADRP COCc1cccc(CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000931310785 649404851 /nfs/dbraw/zinc/40/48/51/649404851.db2.gz HTFDJCJPMCVIAE-ROUUACIJSA-N 2 0 288.435 2.607 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314385 649406727 /nfs/dbraw/zinc/40/67/27/649406727.db2.gz NLQPZUCXAVAVNT-KURKYZTESA-N 2 0 293.499 2.523 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000931355661 649413750 /nfs/dbraw/zinc/41/37/50/649413750.db2.gz VMJNKFNYKRNBJE-UHFFFAOYSA-N 2 0 270.461 2.998 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000931355474 649414190 /nfs/dbraw/zinc/41/41/90/649414190.db2.gz SBBPWABTHSEHOO-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccsc3)C[C@@H]2C1 ZINC000931435354 649426193 /nfs/dbraw/zinc/42/61/93/649426193.db2.gz CINZELCMMLFEIT-CABCVRRESA-N 2 0 264.438 2.564 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCCCCC3)C[C@@H]2C1 ZINC000931437004 649427054 /nfs/dbraw/zinc/42/70/54/649427054.db2.gz COJURJKURORSNH-CVEARBPZSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc4ccccc4c3)C[C@@H]2C1 ZINC000931435791 649427078 /nfs/dbraw/zinc/42/70/78/649427078.db2.gz COPIUQPFICOMPP-SJORKVTESA-N 2 0 281.403 2.618 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439863 649427762 /nfs/dbraw/zinc/42/77/62/649427762.db2.gz OZUXDXBJCGYVGU-KSZLIROESA-N 2 0 288.435 2.648 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC/C=C\c3ccccc3)C[C@@H]2C1 ZINC000931441420 649427829 /nfs/dbraw/zinc/42/78/29/649427829.db2.gz HWYUVXIYXJHAKS-FGZCHGLHSA-N 2 0 270.420 2.973 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC3CCC4(CC4)CC3)C[C@@H]2C1 ZINC000931443415 649428716 /nfs/dbraw/zinc/42/87/16/649428716.db2.gz XBJBSIHWRSRHEV-CVEARBPZSA-N 2 0 262.441 2.840 20 0 CFADRP COC[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C(C)C ZINC000931467121 649434620 /nfs/dbraw/zinc/43/46/20/649434620.db2.gz HOHFYOUDBNBROO-MRXNPFEDSA-N 2 0 282.472 2.713 20 0 CFADRP COC[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(C)C ZINC000931465147 649435013 /nfs/dbraw/zinc/43/50/13/649435013.db2.gz PBICGHHUMHQCEA-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](COC)C(C)C)CC1 ZINC000931470379 649436357 /nfs/dbraw/zinc/43/63/57/649436357.db2.gz DXDZGGZNVUIAJQ-HNNXBMFYSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)c1ccccc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931478889 649438984 /nfs/dbraw/zinc/43/89/84/649438984.db2.gz GQAJLFACLCUATF-UHFFFAOYSA-N 2 0 290.451 2.699 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485338 649439413 /nfs/dbraw/zinc/43/94/13/649439413.db2.gz FBKUPHSCZKNXSO-INIZCTEOSA-N 2 0 276.424 2.526 20 0 CFADRP Nc1cc[nH+]c2c1CN(CCSc1ccccc1)CC2 ZINC000931513249 649444497 /nfs/dbraw/zinc/44/44/97/649444497.db2.gz STDVJASVSDACTN-UHFFFAOYSA-N 2 0 285.416 2.814 20 0 CFADRP CCc1ccc(CN2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931512210 649444672 /nfs/dbraw/zinc/44/46/72/649444672.db2.gz HDWDXLSGMBVUNV-UHFFFAOYSA-N 2 0 267.376 2.785 20 0 CFADRP C[C@H](C[N@@H+]1CCc2nccc(N)c2C1)c1ccccc1 ZINC000931513550 649444866 /nfs/dbraw/zinc/44/48/66/649444866.db2.gz ZCWLDJSAPXOGRP-CYBMUJFWSA-N 2 0 267.376 2.826 20 0 CFADRP CC(C)C[N@H+](CCc1ccns1)CC1CC[NH+](C)CC1 ZINC000931566312 649455765 /nfs/dbraw/zinc/45/57/65/649455765.db2.gz WOLOHOLOGZDATJ-UHFFFAOYSA-N 2 0 295.496 2.985 20 0 CFADRP COC[C@H](C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C(C)C ZINC000931684080 649471276 /nfs/dbraw/zinc/47/12/76/649471276.db2.gz NSBGPWIDSFUWFD-CVEARBPZSA-N 2 0 291.439 2.511 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000933734069 649718102 /nfs/dbraw/zinc/71/81/02/649718102.db2.gz OCVKNKXXPTYEGA-UWWQBHOKSA-N 2 0 288.435 2.682 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3cc[nH]c(=O)c3)cc2)CC1 ZINC001243426344 782192901 /nfs/dbraw/zinc/19/29/01/782192901.db2.gz FUORZNRSSDBCLL-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP CCCN(CCC)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001155182494 782245913 /nfs/dbraw/zinc/24/59/13/782245913.db2.gz RSIZCWXCQSLFAD-UHFFFAOYSA-N 2 0 276.428 2.636 20 0 CFADRP Cn1c[nH+]cc1N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277769459 777806881 /nfs/dbraw/zinc/80/68/81/777806881.db2.gz DLJPNCAFJDCOEA-UHFFFAOYSA-N 2 0 288.439 2.655 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001235925526 778611764 /nfs/dbraw/zinc/61/17/64/778611764.db2.gz SDZQOXRZMTZEFS-LBPRGKRZSA-N 2 0 288.313 2.898 20 0 CFADRP CC1(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC[NH2+]CC1 ZINC001236372569 778795391 /nfs/dbraw/zinc/79/53/91/778795391.db2.gz QEYIQWQZTJZPTA-INIZCTEOSA-N 3 0 293.499 2.620 20 0 CFADRP C[NH+](C)CC1(CN2CC[C@H]([NH+]3CCCCC3)C2)CCCC1 ZINC001208188872 769896371 /nfs/dbraw/zinc/89/63/71/769896371.db2.gz BLONDWSJKIHCDG-KRWDZBQOSA-N 2 0 293.499 2.669 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC001208606125 769909343 /nfs/dbraw/zinc/90/93/43/769909343.db2.gz CXTIMKYGHPIOQZ-LSDHHAIUSA-N 2 0 276.399 2.957 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3ccccc3Cl)C2)CC1 ZINC001203385776 769910967 /nfs/dbraw/zinc/91/09/67/769910967.db2.gz WBKXYYUGZKKFQU-UHFFFAOYSA-N 2 0 264.800 2.868 20 0 CFADRP CCC[N@H+]1C[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001208695769 769927132 /nfs/dbraw/zinc/92/71/32/769927132.db2.gz GVJJQJJWIKSALE-IYBDPMFKSA-N 2 0 250.430 2.840 20 0 CFADRP COc1cc(C)c(C)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806794 769985240 /nfs/dbraw/zinc/98/52/40/769985240.db2.gz HLVHWQBMIQKQNU-GJZGRUSLSA-N 2 0 276.424 2.871 20 0 CFADRP CCOC(=O)[C@@]1(C)CCCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001209844959 770141797 /nfs/dbraw/zinc/14/17/97/770141797.db2.gz HAFNAERGBDRLKS-RDJZCZTQSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1Cl ZINC000723670712 770506316 /nfs/dbraw/zinc/50/63/16/770506316.db2.gz FQESQXYVUXFPOF-LBPRGKRZSA-N 2 0 252.789 2.819 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723637905 770631318 /nfs/dbraw/zinc/63/13/18/770631318.db2.gz KTZRKJYXWYRPIE-SMLCLMEVSA-N 2 0 280.456 2.654 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000723637714 770631899 /nfs/dbraw/zinc/63/18/99/770631899.db2.gz SVYVDEAILPOVPQ-ARFHVFGLSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000723690633 770650657 /nfs/dbraw/zinc/65/06/57/770650657.db2.gz UTOCBZUTWPRZLE-LBPRGKRZSA-N 2 0 273.355 2.545 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000723701844 770653262 /nfs/dbraw/zinc/65/32/62/770653262.db2.gz UTTCYPIUOMICGN-NSHDSACASA-N 2 0 288.313 2.756 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723886971 770706599 /nfs/dbraw/zinc/70/65/99/770706599.db2.gz HKMUZQNZUAUNMN-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)C[C@H]1CC[NH3+] ZINC000723889039 770706989 /nfs/dbraw/zinc/70/69/89/770706989.db2.gz SYKQWGAFAXPGTE-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403571516 770787374 /nfs/dbraw/zinc/78/73/74/770787374.db2.gz OYALNCQRPKCRRR-AGUYFDCRSA-N 2 0 268.470 2.735 20 0 CFADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001207261295 770855104 /nfs/dbraw/zinc/85/51/04/770855104.db2.gz RUEIYUHQEYRTIF-HZPDHXFCSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC001207291373 770913752 /nfs/dbraw/zinc/91/37/52/770913752.db2.gz PFAQWRHTHNVTET-SFHVURJKSA-N 2 0 288.435 2.619 20 0 CFADRP [NH3+]Cc1ccc(C[N@@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)cc1 ZINC001224120058 775105201 /nfs/dbraw/zinc/10/52/01/775105201.db2.gz YSWKOLRUOGBPDV-WMZOPIPTSA-N 2 0 293.414 2.786 20 0 CFADRP C[NH+](C)CC[C@H](O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001224133554 775108997 /nfs/dbraw/zinc/10/89/97/775108997.db2.gz NBEROSKQBSBBEI-ZWKOTPCHSA-N 2 0 288.435 2.790 20 0 CFADRP C[C@]1(C[NH+]2CCC(F)(C3CC3)CC2)CCC[NH2+]C1 ZINC000724845417 775146373 /nfs/dbraw/zinc/14/63/73/775146373.db2.gz SMKOZSAQWGYAQF-AWEZNQCLSA-N 2 0 254.393 2.590 20 0 CFADRP C[N@@H+]1CCCC[C@H]1COC1CC[NH+](C(C)(C)C)CC1 ZINC001224707361 775256052 /nfs/dbraw/zinc/25/60/52/775256052.db2.gz QKACOCQHTNTNNV-AWEZNQCLSA-N 2 0 268.445 2.750 20 0 CFADRP CSCc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000725110886 775275527 /nfs/dbraw/zinc/27/55/27/775275527.db2.gz IKDNHBDJYAQETC-UHFFFAOYSA-N 2 0 278.465 2.981 20 0 CFADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCC[NH+]1C)C2 ZINC001224816872 775281631 /nfs/dbraw/zinc/28/16/31/775281631.db2.gz BGMHVXMUXHNKCG-XUWVNRHRSA-N 2 0 266.429 2.501 20 0 CFADRP C[N@@H+]1CC[C@@H](OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832770 775285649 /nfs/dbraw/zinc/28/56/49/775285649.db2.gz XCKRHJAHPXGPEO-QZTJIDSGSA-N 2 0 288.435 2.619 20 0 CFADRP C[NH+](C)C1CCC(OCCC[NH+]2CCCCC2)CC1 ZINC001224858775 775291168 /nfs/dbraw/zinc/29/11/68/775291168.db2.gz FVLZPVANYHCZGJ-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCCC[NH+]1CCCCC1 ZINC001224859105 775293004 /nfs/dbraw/zinc/29/30/04/775293004.db2.gz GMRNCOGFZBMJEZ-BJWYYQGGSA-N 2 0 280.456 2.609 20 0 CFADRP C(CCC1CC[NH2+]CC1)CO[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001217802102 775303555 /nfs/dbraw/zinc/30/35/55/775303555.db2.gz MDXQGGFWESOBRO-IAGOWNOFSA-N 2 0 280.456 2.705 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CCCN(c2ccc(C)cn2)C1 ZINC001224932266 775309062 /nfs/dbraw/zinc/30/90/62/775309062.db2.gz XGPXEMVDXDPKPW-MRXNPFEDSA-N 2 0 291.439 2.717 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Oc1ccc(C[NH+](C)C)cc1 ZINC001225329500 775413404 /nfs/dbraw/zinc/41/34/04/775413404.db2.gz CDNDQZFMZJXAST-CQSZACIVSA-N 2 0 264.413 2.857 20 0 CFADRP C[NH+](C)Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001225330327 775414555 /nfs/dbraw/zinc/41/45/55/775414555.db2.gz GLNDBXXPXGAAMD-QLPKVWCKSA-N 2 0 274.408 2.752 20 0 CFADRP CC[NH+]1C[C@@H]2CN(Cc3coc4ccccc34)C[C@H]2C1 ZINC001140785880 775477624 /nfs/dbraw/zinc/47/76/24/775477624.db2.gz AGTFXDFTPGEJIH-ZIAGYGMSSA-N 2 0 270.376 2.816 20 0 CFADRP c1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCOCC2)cc1 ZINC001207437692 775662696 /nfs/dbraw/zinc/66/26/96/775662696.db2.gz OSFRJHANHXFHCF-UHFFFAOYSA-N 2 0 288.435 2.667 20 0 CFADRP CCCC[NH+](CCCC)CCNc1c[nH+]cn1C ZINC001167733388 775864936 /nfs/dbraw/zinc/86/49/36/775864936.db2.gz SLPVYXXODFOVRR-UHFFFAOYSA-N 2 0 252.406 2.734 20 0 CFADRP Nc1cc(OC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001226653276 775905086 /nfs/dbraw/zinc/90/50/86/775905086.db2.gz ZEZPTQKHCIRSQF-UHFFFAOYSA-N 2 0 283.375 2.707 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000397593121 776028446 /nfs/dbraw/zinc/02/84/46/776028446.db2.gz KLKWKCZVABQHLO-SFHVURJKSA-N 2 0 288.435 2.667 20 0 CFADRP CCN(C)c1cc(NCCC[N@@H+]2CCCC[C@H]2C)ncn1 ZINC001167750944 776080444 /nfs/dbraw/zinc/08/04/44/776080444.db2.gz FUZFEVGPPCJQRI-CQSZACIVSA-N 2 0 291.443 2.609 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000695882452 776084129 /nfs/dbraw/zinc/08/41/29/776084129.db2.gz IZQNHYJZBOJMRX-JKSUJKDBSA-N 2 0 278.440 2.912 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001141327282 776285694 /nfs/dbraw/zinc/28/56/94/776285694.db2.gz NSRBCSJOINHWMY-UHFFFAOYSA-N 2 0 280.437 2.674 20 0 CFADRP CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](CC)CC ZINC001228559245 776521376 /nfs/dbraw/zinc/52/13/76/776521376.db2.gz NZWISNFCHPPFQV-OAGGEKHMSA-N 2 0 297.487 2.534 20 0 CFADRP C[N@H+](CC[C@H]1CC1(Cl)Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000399360161 776527504 /nfs/dbraw/zinc/52/75/04/776527504.db2.gz OKRRUABDUHYMMY-WSMDXJOWSA-N 2 0 277.239 2.785 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CCOC)C(C)C ZINC001167826554 776547451 /nfs/dbraw/zinc/54/74/51/776547451.db2.gz QBWPBWGWNUXUJJ-OAHLLOKOSA-N 2 0 258.450 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](CCC(=O)OC)C1 ZINC001167833556 776570335 /nfs/dbraw/zinc/57/03/35/776570335.db2.gz CHURVXXOWJWGTG-HZPDHXFCSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001167833903 776571584 /nfs/dbraw/zinc/57/15/84/776571584.db2.gz FORLCRZLDPCKSJ-JYJNAYRXSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([N@H+](C)CC)CC1 ZINC001167833947 776572306 /nfs/dbraw/zinc/57/23/06/776572306.db2.gz GHUNDUNWTDVTMM-INIZCTEOSA-N 3 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001167834143 776573975 /nfs/dbraw/zinc/57/39/75/776573975.db2.gz ICPZJBNSTUMNOV-BZUAXINKSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001167834180 776574304 /nfs/dbraw/zinc/57/43/04/776574304.db2.gz IOJGYXCIQQQTHF-JKSUJKDBSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]12CCOC2 ZINC001167839461 776591578 /nfs/dbraw/zinc/59/15/78/776591578.db2.gz XTIHYTQLRVAJRP-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001167841077 776600765 /nfs/dbraw/zinc/60/07/65/776600765.db2.gz JZZYFCFNEFDYOK-INIZCTEOSA-N 3 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001167841909 776609881 /nfs/dbraw/zinc/60/98/81/776609881.db2.gz UISQSEJQCOZBGW-IAGOWNOFSA-N 2 0 283.504 2.911 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)CCn1ccnc1 ZINC001167842493 776613084 /nfs/dbraw/zinc/61/30/84/776613084.db2.gz YCJLWAUMQZWYGV-MRXNPFEDSA-N 2 0 280.460 2.716 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167894043 776730122 /nfs/dbraw/zinc/73/01/22/776730122.db2.gz MTXSYSXQYJPVEE-BDXSIMOUSA-N 2 0 270.420 2.897 20 0 CFADRP Cc1ccc2[nH]c(C[NH+]3C[C@@H]4CC[N@H+](C)CC[C@@H]4C3)nc2c1 ZINC001277369258 776763662 /nfs/dbraw/zinc/76/36/62/776763662.db2.gz WCSXPTZKUBFMLW-GASCZTMLSA-N 2 0 298.434 2.645 20 0 CFADRP C[C@H](c1cccc(O[C@H]2CCC[N@H+](C)C2)c1)[NH+](C)C ZINC001229628800 776860818 /nfs/dbraw/zinc/86/08/18/776860818.db2.gz XDTYVIOFQHPMOO-CJNGLKHVSA-N 2 0 262.397 2.782 20 0 CFADRP CC(C)(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917549 776898249 /nfs/dbraw/zinc/89/82/49/776898249.db2.gz NBBXZIAHURYUOD-AGGWBTHJSA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+]C1(c2ccccc2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917905 776911840 /nfs/dbraw/zinc/91/18/40/776911840.db2.gz DJGUYAAEIWJUFL-FOLVSLTJSA-N 2 0 256.393 2.735 20 0 CFADRP CC[C@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092874370 776912484 /nfs/dbraw/zinc/91/24/84/776912484.db2.gz RXRCEOFVEVROFG-HOCLYGCPSA-N 2 0 259.397 2.782 20 0 CFADRP C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709971097 776949577 /nfs/dbraw/zinc/94/95/77/776949577.db2.gz MJWFUWSRGQBADB-RHSMWYFYSA-N 2 0 276.399 2.832 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000338324224 776953098 /nfs/dbraw/zinc/95/30/98/776953098.db2.gz OQSCJKWSDZHNPR-IRXDYDNUSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000261786337 776991641 /nfs/dbraw/zinc/99/16/41/776991641.db2.gz KARFONKUESHKOU-CQSZACIVSA-N 2 0 289.423 2.738 20 0 CFADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167941512 776993277 /nfs/dbraw/zinc/99/32/77/776993277.db2.gz ZYDIMVVLEUKMOV-DQCOHUIHSA-N 2 0 282.431 2.849 20 0 CFADRP FC1CC[NH+](C2CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167953684 777225333 /nfs/dbraw/zinc/22/53/33/777225333.db2.gz VREXAJGYVRRSLV-YWVIFJGQSA-N 2 0 266.404 2.683 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cnccc12 ZINC001231519629 777249826 /nfs/dbraw/zinc/24/98/26/777249826.db2.gz FIXDWUBOMASKRJ-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP c1cncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167959404 777283338 /nfs/dbraw/zinc/28/33/38/777283338.db2.gz OJAZTAHYPWHKBT-AYHJJNSGSA-N 2 0 285.435 2.619 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1ccc2c([nH+]1)CCCC2 ZINC000712395134 777318830 /nfs/dbraw/zinc/31/88/30/777318830.db2.gz SSCMDGZVSBKRGW-UHFFFAOYSA-N 2 0 261.413 2.960 20 0 CFADRP COC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167965495 777404524 /nfs/dbraw/zinc/40/45/24/777404524.db2.gz HYRYHXSWOFAYCB-DDEIOVDASA-N 2 0 292.467 2.939 20 0 CFADRP FC(F)(F)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965480 777404998 /nfs/dbraw/zinc/40/49/98/777404998.db2.gz HFAQOKQFAUDRJL-YHWZYXNKSA-N 2 0 292.345 2.518 20 0 CFADRP C[N@H+](CCc1ccccn1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232010855 777410412 /nfs/dbraw/zinc/41/04/12/777410412.db2.gz DZVOCLNPCKGURL-UHFFFAOYSA-N 2 0 266.348 2.632 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@@]1(C)O ZINC001232010844 777411301 /nfs/dbraw/zinc/41/13/01/777411301.db2.gz DTBYXTMOTWMZOT-MLGOLLRUSA-N 2 0 273.380 2.546 20 0 CFADRP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@H]1Cc2ccccc2O1 ZINC001232016275 777413836 /nfs/dbraw/zinc/41/38/36/777413836.db2.gz LBSUMTSBZVIKOF-MRXNPFEDSA-N 2 0 293.370 2.998 20 0 CFADRP CC(C)CNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001161651014 777427491 /nfs/dbraw/zinc/42/74/91/777427491.db2.gz OJUSUPMFYYZCSE-UHFFFAOYSA-N 2 0 275.440 2.925 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@@H]1CCCO1 ZINC001167982010 777449320 /nfs/dbraw/zinc/44/93/20/777449320.db2.gz STUSTVUTQDVFAF-NKBFTAMNSA-N 2 0 278.440 2.549 20 0 CFADRP C[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCOC1 ZINC001167981986 777449575 /nfs/dbraw/zinc/44/95/75/777449575.db2.gz RTNWRTJJFPTQJV-NPYXIHBLSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCO1 ZINC001167982856 777453503 /nfs/dbraw/zinc/45/35/03/777453503.db2.gz CSKCWKLZLFFACT-KTFSGNIMSA-N 2 0 278.440 2.503 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1ccc(OC)nc1C ZINC001232338184 777526299 /nfs/dbraw/zinc/52/62/99/777526299.db2.gz SWGBABBKYMKPNR-UHFFFAOYSA-N 2 0 279.428 2.562 20 0 CFADRP C[N@H+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995728 777531765 /nfs/dbraw/zinc/53/17/65/777531765.db2.gz PAUABLZIOYYIIV-WFFDWFOESA-N 2 0 292.467 2.893 20 0 CFADRP CSc1cc(C)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC001232350149 777533769 /nfs/dbraw/zinc/53/37/69/777533769.db2.gz OXSRTDYVEATYDC-INIZCTEOSA-N 2 0 291.464 2.640 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000337249166 777535898 /nfs/dbraw/zinc/53/58/98/777535898.db2.gz JDWJQOQESFXCDN-NFOMZHRRSA-N 2 0 256.434 2.510 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2nccc(Cl)c12 ZINC001232462423 777567825 /nfs/dbraw/zinc/56/78/25/777567825.db2.gz UNPHHCUGSHTZTD-UHFFFAOYSA-N 2 0 294.830 2.990 20 0 CFADRP CC(C)O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168004375 777571187 /nfs/dbraw/zinc/57/11/87/777571187.db2.gz UXOJKJDVTVRJKK-WFFDWFOESA-N 2 0 292.467 2.891 20 0 CFADRP CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005780 777577081 /nfs/dbraw/zinc/57/70/81/777577081.db2.gz KIPPTDMXDNOQLF-CYGHRXIMSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@@H]1CC(n2cnc(C[NH3+])c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005832 777577255 /nfs/dbraw/zinc/57/72/55/777577255.db2.gz KNRQQMVGMLKHJI-HUUCEWRRSA-N 2 0 298.434 2.956 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204754768 777581423 /nfs/dbraw/zinc/58/14/23/777581423.db2.gz ADEJIFZRRJUATD-ABCZVMIZSA-N 2 0 254.418 2.563 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000696594338 777589543 /nfs/dbraw/zinc/58/95/43/777589543.db2.gz APJFDBARNCTNTR-SDDRHHMPSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H](C[N@@H+]1CCO[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC001204757251 777590593 /nfs/dbraw/zinc/59/05/93/777590593.db2.gz XHVABLPJNICKAN-RDJZCZTQSA-N 2 0 298.430 2.993 20 0 CFADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1F ZINC000093089296 777618840 /nfs/dbraw/zinc/61/88/40/777618840.db2.gz ZBFHCLOAELXAOG-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(c2cc[nH+]cc2)CC3)c1 ZINC001277695236 777631656 /nfs/dbraw/zinc/63/16/56/777631656.db2.gz XJNYMSRSPOLCRI-UHFFFAOYSA-N 2 0 296.418 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2(CO)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015231 777648076 /nfs/dbraw/zinc/64/80/76/777648076.db2.gz PTCWQFUIOGEQII-SCAQPMJSSA-N 2 0 288.435 2.543 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc3ncsc31)CC2 ZINC001232736060 777650155 /nfs/dbraw/zinc/65/01/55/777650155.db2.gz HDENBIHEXUQAPZ-UHFFFAOYSA-N 2 0 287.432 2.824 20 0 CFADRP CN(CCC[NH+](C)C)Cc1ccc2ncsc2c1 ZINC001232737455 777652493 /nfs/dbraw/zinc/65/24/93/777652493.db2.gz YZRSGNULVYIGDC-UHFFFAOYSA-N 2 0 263.410 2.680 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc4ncsc4c3)C2)C1 ZINC001232742874 777654617 /nfs/dbraw/zinc/65/46/17/777654617.db2.gz FPBQGIBMWJJPAU-INIZCTEOSA-N 2 0 287.432 2.824 20 0 CFADRP Cc1c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)ccnc1Cl ZINC001232753147 777658058 /nfs/dbraw/zinc/65/80/58/777658058.db2.gz HPWBMCCEWSVWMM-UHFFFAOYSA-N 2 0 293.842 2.961 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000396465284 777866703 /nfs/dbraw/zinc/86/67/03/777866703.db2.gz SHKLQFVZTIWFKE-CYBMUJFWSA-N 2 0 291.395 2.723 20 0 CFADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000714258945 777974627 /nfs/dbraw/zinc/97/46/27/777974627.db2.gz WLJWJAFCGJNUDY-VVLHAWIVSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001168086405 777993180 /nfs/dbraw/zinc/99/31/80/777993180.db2.gz FSYRVHUJSULOQZ-STQMWFEESA-N 2 0 268.445 2.795 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CCO1 ZINC001168090659 778016564 /nfs/dbraw/zinc/01/65/64/778016564.db2.gz GGNSJHBDTJOWAK-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168093178 778025177 /nfs/dbraw/zinc/02/51/77/778025177.db2.gz UPVPDOHXAJOKNW-CIDNJEQPSA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@H](C)[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001277808520 778080118 /nfs/dbraw/zinc/08/01/18/778080118.db2.gz YHFDRVBYUUACBF-BBWFWOEESA-N 2 0 290.455 2.706 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001168120604 778093113 /nfs/dbraw/zinc/09/31/13/778093113.db2.gz XKAUZSRXIGXIEL-DOTOQJQBSA-N 2 0 292.467 2.894 20 0 CFADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCO1 ZINC001168128012 778117605 /nfs/dbraw/zinc/11/76/05/778117605.db2.gz LMUWVPUUKVEOQG-IXDOHACOSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC001168144279 778155184 /nfs/dbraw/zinc/15/51/84/778155184.db2.gz VETAICNSYZCQTN-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC001168144277 778155482 /nfs/dbraw/zinc/15/54/82/778155482.db2.gz VETAICNSYZCQTN-GJZGRUSLSA-N 2 0 266.429 2.504 20 0 CFADRP CC1(Nc2cccc(C3=[NH+]CCC3)c2)CC[NH2+]CC1 ZINC001168188407 778231527 /nfs/dbraw/zinc/23/15/27/778231527.db2.gz UILXVWHHGNKKIW-UHFFFAOYSA-N 2 0 257.381 2.824 20 0 CFADRP CC1(Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)CC[NH2+]CC1 ZINC001168188794 778232349 /nfs/dbraw/zinc/23/23/49/778232349.db2.gz BEFRKDQQPBZIPN-OAHLLOKOSA-N 2 0 273.424 2.708 20 0 CFADRP CCOCC[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277859184 778234748 /nfs/dbraw/zinc/23/47/48/778234748.db2.gz VXAJQFASNRZULP-IYBDPMFKSA-N 2 0 280.456 2.609 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H]([NH+](C)C)CC1)C2 ZINC001168251328 778273159 /nfs/dbraw/zinc/27/31/59/778273159.db2.gz IRSCJLPMMUSNNR-BRWVUGGUSA-N 2 0 288.435 2.625 20 0 CFADRP CCOc1cc(C)ccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234998516 778349186 /nfs/dbraw/zinc/34/91/86/778349186.db2.gz OIXQEMLVSDRWAX-SFHVURJKSA-N 2 0 288.435 2.969 20 0 CFADRP c1ccc(CCCCCN2CC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC001235004602 778350136 /nfs/dbraw/zinc/35/01/36/778350136.db2.gz SSMGCOCKYJGUJY-IRXDYDNUSA-N 2 0 258.409 2.836 20 0 CFADRP FC(F)(F)c1ccc(CCC[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023925 778356996 /nfs/dbraw/zinc/35/69/96/778356996.db2.gz FYXJKHCLJDRXBT-UHFFFAOYSA-N 2 0 298.352 2.933 20 0 CFADRP FC(F)(F)c1ccccc1CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030086 778358703 /nfs/dbraw/zinc/35/87/03/778358703.db2.gz FLECIDYBZBCVSD-OAHLLOKOSA-N 2 0 298.352 2.933 20 0 CFADRP c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2cccccc1-2 ZINC001235033687 778360152 /nfs/dbraw/zinc/36/01/52/778360152.db2.gz QWWAJXXMYZDXTB-SFHVURJKSA-N 2 0 266.388 2.977 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235039211 778364187 /nfs/dbraw/zinc/36/41/87/778364187.db2.gz VUZFYDHNTROLIB-SJLPKXTDSA-N 2 0 288.435 2.620 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]43)cc21 ZINC001235049133 778367213 /nfs/dbraw/zinc/36/72/13/778367213.db2.gz SSQLVNUQXHPPMZ-ZWKOTPCHSA-N 2 0 297.446 2.624 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1C[NH2+]C2 ZINC001235156285 778398640 /nfs/dbraw/zinc/39/86/40/778398640.db2.gz FVLPPKCAUKQWCA-IBGZPJMESA-N 3 0 299.462 2.644 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235185414 778405648 /nfs/dbraw/zinc/40/56/48/778405648.db2.gz TXGDROGJEUDSTA-SJORKVTESA-N 2 0 258.409 2.851 20 0 CFADRP CN(CC[NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168294959 778411014 /nfs/dbraw/zinc/41/10/14/778411014.db2.gz KRSUHEICHYCPIE-UHFFFAOYSA-N 2 0 275.440 2.585 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccnc1 ZINC001168298344 778411643 /nfs/dbraw/zinc/41/16/43/778411643.db2.gz OAECDZCKYAUAMR-GPANFISMSA-N 2 0 261.413 2.995 20 0 CFADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168300231 778414934 /nfs/dbraw/zinc/41/49/34/778414934.db2.gz QXSJYUMNWYPWCI-MSBXVQKDSA-N 2 0 296.455 2.571 20 0 CFADRP CCn1ccc2c1cccc2CN1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209416 778415499 /nfs/dbraw/zinc/41/54/99/778415499.db2.gz OHBCQLNMUUFHDI-WBVHZDCISA-N 2 0 283.419 2.845 20 0 CFADRP CC(C)Oc1ccnc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168305189 778419571 /nfs/dbraw/zinc/41/95/71/778419571.db2.gz LNFXPQQRPRZUNJ-UHFFFAOYSA-N 2 0 291.439 2.831 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cncn2C2CCC2)CC1 ZINC001168306145 778419979 /nfs/dbraw/zinc/41/99/79/778419979.db2.gz SUTZGPBFQJRVEI-UHFFFAOYSA-N 2 0 276.428 2.571 20 0 CFADRP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001235221822 778421095 /nfs/dbraw/zinc/42/10/95/778421095.db2.gz FJKXPWBNKLWOOQ-HOTGVXAUSA-N 2 0 262.441 2.888 20 0 CFADRP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](CCC1CCCC1)C2 ZINC001235225511 778421960 /nfs/dbraw/zinc/42/19/60/778421960.db2.gz VDLOUXXWHXYQJS-STQMWFEESA-N 2 0 276.346 2.650 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3CCC[C@H]3C1)C[NH2+]CC2 ZINC001235226087 778422152 /nfs/dbraw/zinc/42/21/52/778422152.db2.gz YCJRWRUHFIBTRI-WBVHZDCISA-N 2 0 270.420 2.954 20 0 CFADRP Cc1ccnc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235227181 778422180 /nfs/dbraw/zinc/42/21/80/778422180.db2.gz DIJIFQOYOCNUDF-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3cnccc32)CC1 ZINC001168312259 778422276 /nfs/dbraw/zinc/42/22/76/778422276.db2.gz NFPWWQNBHPSPMR-VMBOVVBDSA-N 2 0 273.424 2.921 20 0 CFADRP Cc1ncsc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235228534 778422536 /nfs/dbraw/zinc/42/25/36/778422536.db2.gz IRZJVZMGILVUTN-CQSZACIVSA-N 2 0 279.453 2.806 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccn1 ZINC001235228628 778423159 /nfs/dbraw/zinc/42/31/59/778423159.db2.gz JNUBITWSADZPDS-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+]1CCC(C)(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233011 778423620 /nfs/dbraw/zinc/42/36/20/778423620.db2.gz LXTIJTUIKOOSTC-KRWDZBQOSA-N 3 0 293.499 2.572 20 0 CFADRP CSCCC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233543 778424341 /nfs/dbraw/zinc/42/43/41/778424341.db2.gz RNFISOZSKNREAK-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1cncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235232218 778424360 /nfs/dbraw/zinc/42/43/60/778424360.db2.gz WFANNUICOKQTDU-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001168314031 778424384 /nfs/dbraw/zinc/42/43/84/778424384.db2.gz IMEJNYLHKXEBHG-GPANFISMSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001168314394 778425571 /nfs/dbraw/zinc/42/55/71/778425571.db2.gz FTGJVMKLZXUQDF-FJBKBRRZSA-N 2 0 278.440 2.693 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001168315922 778428307 /nfs/dbraw/zinc/42/83/07/778428307.db2.gz QXABEJZCQILGKA-UHFFFAOYSA-N 2 0 258.409 2.918 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC001168319001 778429055 /nfs/dbraw/zinc/42/90/55/778429055.db2.gz KORKCQJPHKYSIT-UHFFFAOYSA-N 2 0 264.438 2.979 20 0 CFADRP CC(C)=CCC[C@@H](C)CCN1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235242402 778429792 /nfs/dbraw/zinc/42/97/92/778429792.db2.gz XEWFBCCVGQFXIP-IKGGRYGDSA-N 2 0 280.456 2.822 20 0 CFADRP CCOc1cc(C)ccc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235248136 778430220 /nfs/dbraw/zinc/43/02/20/778430220.db2.gz OECYATLUUKHNOT-NVXWUHKLSA-N 2 0 274.408 2.707 20 0 CFADRP COC(=O)CC[N@H+](C1CCCC1)C1CCC([NH+](C)C)CC1 ZINC001168323260 778431341 /nfs/dbraw/zinc/43/13/41/778431341.db2.gz WQBLFWAEXUMSTO-UHFFFAOYSA-N 2 0 296.455 2.667 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCc3ccccc3CC2)CC1 ZINC001168322524 778432253 /nfs/dbraw/zinc/43/22/53/778432253.db2.gz DLNRKLBAGLXEHH-UHFFFAOYSA-N 2 0 272.436 2.960 20 0 CFADRP COC(C)(C)[C@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324419 778432384 /nfs/dbraw/zinc/43/23/84/778432384.db2.gz NUJJYGFOTOCFMS-YMAMQOFZSA-N 2 0 268.445 2.749 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCC(C(F)F)CC2)CC1 ZINC001168328170 778434144 /nfs/dbraw/zinc/43/41/44/778434144.db2.gz YHEDXAJDVSTBKU-UHFFFAOYSA-N 2 0 260.372 2.836 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2Cc3cnc(Cl)cc3C2)CC1 ZINC001168330650 778435837 /nfs/dbraw/zinc/43/58/37/778435837.db2.gz VEQBEDRLHDDJDM-UHFFFAOYSA-N 2 0 279.815 2.923 20 0 CFADRP CCc1cccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC001235262813 778438205 /nfs/dbraw/zinc/43/82/05/778438205.db2.gz GOLCXWGJYDYVAB-UHFFFAOYSA-N 2 0 287.451 2.952 20 0 CFADRP Cc1c(C)c(C)c(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c(C)c1C ZINC001235284320 778442888 /nfs/dbraw/zinc/44/28/88/778442888.db2.gz KZPVXXDPRVXQLF-BJWYYQGGSA-N 2 0 258.409 2.618 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]12 ZINC001235282809 778442945 /nfs/dbraw/zinc/44/29/45/778442945.db2.gz JXUMEAHYSLXSMC-REPLKXPHSA-N 2 0 278.399 2.707 20 0 CFADRP CCC[NH+](CCC)CCNC1CC[NH+](CC2CC2)CC1 ZINC001168352773 778447050 /nfs/dbraw/zinc/44/70/50/778447050.db2.gz DPDCBSSCLOMSKB-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(F)c(F)c1 ZINC001168356800 778457763 /nfs/dbraw/zinc/45/77/63/778457763.db2.gz WUVCXUXSLAWALV-UHFFFAOYSA-N 2 0 293.361 2.754 20 0 CFADRP c1ccc(C2CC2)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235335818 778459446 /nfs/dbraw/zinc/45/94/46/778459446.db2.gz ROABSNJAKCJURW-UHFFFAOYSA-N 2 0 270.420 2.995 20 0 CFADRP Cc1cnc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC001235346342 778462772 /nfs/dbraw/zinc/46/27/72/778462772.db2.gz PUHDRZYYWCMRBN-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235365541 778469852 /nfs/dbraw/zinc/46/98/52/778469852.db2.gz AEDYICZHAAXEND-HWYGNIMXSA-N 2 0 292.467 2.966 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235371469 778470760 /nfs/dbraw/zinc/47/07/60/778470760.db2.gz ZXXPOMJSLAZWHH-YYIAUSFCSA-N 2 0 280.456 2.656 20 0 CFADRP Fc1ccccc1CCC[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235408443 778479559 /nfs/dbraw/zinc/47/95/59/778479559.db2.gz VGILLABXRUNPTE-DLBZAZTESA-N 2 0 294.389 2.782 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235407325 778479916 /nfs/dbraw/zinc/47/99/16/778479916.db2.gz RGAHVHHYHZPKAF-IRXDYDNUSA-N 2 0 276.399 2.773 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235407324 778479929 /nfs/dbraw/zinc/47/99/29/778479929.db2.gz RGAHVHHYHZPKAF-IAGOWNOFSA-N 2 0 276.399 2.773 20 0 CFADRP Nc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC001235430289 778486487 /nfs/dbraw/zinc/48/64/87/778486487.db2.gz WNYQBVUBPKOTSK-LSDHHAIUSA-N 2 0 291.414 2.620 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001235429500 778487226 /nfs/dbraw/zinc/48/72/26/778487226.db2.gz UFSHNKBTGIUMPB-WMZOPIPTSA-N 3 0 299.462 2.501 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001235435241 778489406 /nfs/dbraw/zinc/48/94/06/778489406.db2.gz DSDXRXZLBIZHFI-UHFFFAOYSA-N 2 0 262.397 2.571 20 0 CFADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(F)c1F ZINC001235439417 778490740 /nfs/dbraw/zinc/49/07/40/778490740.db2.gz ALMLFXSWYHYUMS-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP FC1(C[NH+]2CCC(c3ccccc3)CC2)CC[NH2+]CC1 ZINC001235442459 778492205 /nfs/dbraw/zinc/49/22/05/778492205.db2.gz WHYNYPWYUZWGDX-UHFFFAOYSA-N 2 0 276.399 2.958 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1CC ZINC001235672713 778531776 /nfs/dbraw/zinc/53/17/76/778531776.db2.gz FQBJCIBXGMFZHJ-OAHLLOKOSA-N 2 0 276.424 2.818 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235675583 778532848 /nfs/dbraw/zinc/53/28/48/778532848.db2.gz ZJFPRLRRZDWPTQ-DOTOQJQBSA-N 2 0 274.408 2.672 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235675587 778532978 /nfs/dbraw/zinc/53/29/78/778532978.db2.gz ZJFPRLRRZDWPTQ-WBVHZDCISA-N 2 0 274.408 2.672 20 0 CFADRP COCC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235688014 778536691 /nfs/dbraw/zinc/53/66/91/778536691.db2.gz LRYLXPXHBQQQII-GOSISDBHSA-N 2 0 288.435 2.723 20 0 CFADRP CC1(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC001235688403 778538420 /nfs/dbraw/zinc/53/84/20/778538420.db2.gz PPPLWWFBQHDDIQ-MRXNPFEDSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@H]1CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@H]1C ZINC001235694404 778539507 /nfs/dbraw/zinc/53/95/07/778539507.db2.gz FDCPERPUVOHIKJ-KGLIPLIRSA-N 2 0 250.430 2.887 20 0 CFADRP c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CC[NH2+]C3)CCO2 ZINC001235692344 778539564 /nfs/dbraw/zinc/53/95/64/778539564.db2.gz MRVWNXHLILHBDF-UHFFFAOYSA-N 2 0 294.398 2.727 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC1CC1 ZINC001235694766 778540375 /nfs/dbraw/zinc/54/03/75/778540375.db2.gz JZNBQQLBFCYBJN-UHFFFAOYSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@H]1C ZINC001235695395 778540823 /nfs/dbraw/zinc/54/08/23/778540823.db2.gz SOGBUYCIQYOMSB-KGLIPLIRSA-N 2 0 258.409 2.953 20 0 CFADRP Cc1cc(O)cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235704929 778543615 /nfs/dbraw/zinc/54/36/15/778543615.db2.gz CDCJBIDDGMUDEN-UHFFFAOYSA-N 2 0 288.435 2.912 20 0 CFADRP Cn1ccc2c1cccc2C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235716456 778545876 /nfs/dbraw/zinc/54/58/76/778545876.db2.gz CQXKFQGZUUVBHF-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP COCCCN(Cc1sccc1C)[C@@H]1CCC[NH2+]C1 ZINC001235805369 778563092 /nfs/dbraw/zinc/56/30/92/778563092.db2.gz DYWQHMYYWLGMPL-CQSZACIVSA-N 2 0 282.453 2.647 20 0 CFADRP FC1(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]CC1 ZINC001235856531 778581561 /nfs/dbraw/zinc/58/15/61/778581561.db2.gz SZUBEOBMXXBECU-KGLIPLIRSA-N 2 0 254.393 2.590 20 0 CFADRP Clc1ccc(CCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929110 778612924 /nfs/dbraw/zinc/61/29/24/778612924.db2.gz IETIKVPUKOCSBE-GJZGRUSLSA-N 2 0 278.827 2.814 20 0 CFADRP Clc1ccccc1CCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235931011 778613905 /nfs/dbraw/zinc/61/39/05/778613905.db2.gz ZXJZLLUSORDQKY-CABCVRRESA-N 2 0 278.827 2.814 20 0 CFADRP c1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2c(c1)CCCC2 ZINC001235943848 778620347 /nfs/dbraw/zinc/62/03/47/778620347.db2.gz ZGMLFRMWUCUWOS-NVXWUHKLSA-N 2 0 270.420 2.607 20 0 CFADRP CC1=C[C@H](C)[C@H](C[N@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001235952473 778625127 /nfs/dbraw/zinc/62/51/27/778625127.db2.gz XTWIXDNTSZGRJQ-XHSDSOJGSA-N 2 0 250.430 2.910 20 0 CFADRP C[N@@H+](Cc1ccc(-n2cccc2)cc1)C[C@H]1CCC[NH2+]C1 ZINC001235956451 778626888 /nfs/dbraw/zinc/62/68/88/778626888.db2.gz DFCCMMANQSMOQG-KRWDZBQOSA-N 2 0 283.419 2.909 20 0 CFADRP COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1C(C)C ZINC001235958680 778628588 /nfs/dbraw/zinc/62/85/88/778628588.db2.gz BGQKGXDSSMCUSR-JLVBRIDZSA-N 2 0 288.435 2.988 20 0 CFADRP C[N@H+](CC1CC2(C1)CC[NH2+]CC2)CC1CCCC1 ZINC001235958588 778628609 /nfs/dbraw/zinc/62/86/09/778628609.db2.gz LTYPAUMDYJYFIE-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959435 778628686 /nfs/dbraw/zinc/62/86/86/778628686.db2.gz URUUPUILZPYTOK-JLVBRIDZSA-N 2 0 288.435 2.951 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(OC)c1 ZINC001235963638 778630867 /nfs/dbraw/zinc/63/08/67/778630867.db2.gz WYSCXVPTEMUWAV-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCCCOCc1ccccc1)C2 ZINC001235978848 778637133 /nfs/dbraw/zinc/63/71/33/778637133.db2.gz KOOKUFXUHRZGSG-QZTJIDSGSA-N 2 0 288.435 2.797 20 0 CFADRP C[N@H+](CCC1CC1)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236043648 778662561 /nfs/dbraw/zinc/66/25/61/778662561.db2.gz CGAWZQDPNZSTBF-UHFFFAOYSA-N 2 0 283.419 2.976 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCc2ccccc2)C1 ZINC001236066348 778679386 /nfs/dbraw/zinc/67/93/86/778679386.db2.gz ICTQUTKYTUCMSC-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP C[C@H](CC[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1)CC(C)(C)C ZINC001236074255 778682492 /nfs/dbraw/zinc/68/24/92/778682492.db2.gz WAGMLTQFUBDZFL-ZBFHGGJFSA-N 2 0 281.488 2.556 20 0 CFADRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001236079978 778684048 /nfs/dbraw/zinc/68/40/48/778684048.db2.gz UZUXOCNMKPWXED-IBGZPJMESA-N 2 0 299.462 2.561 20 0 CFADRP CCC[N@H+](CCCC[NH3+])[C@H](C)C(=O)Nc1ccccc1C ZINC001236088730 778686720 /nfs/dbraw/zinc/68/67/20/778686720.db2.gz IIAQJEPAPZSPSG-OAHLLOKOSA-N 2 0 291.439 2.773 20 0 CFADRP CC(C)=CCC[C@H](C)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236127879 778705360 /nfs/dbraw/zinc/70/53/60/778705360.db2.gz HQMBUZJWPGLAEJ-KRWDZBQOSA-N 2 0 293.499 2.739 20 0 CFADRP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)CCCC[NH3+] ZINC001236151761 778719389 /nfs/dbraw/zinc/71/93/89/778719389.db2.gz IICNXPQOZKCXML-WMZOPIPTSA-N 2 0 289.467 2.568 20 0 CFADRP CCC[N@H+](Cc1ccc2c(c1)NCC2)C1CC[NH2+]CC1 ZINC001236183882 778728685 /nfs/dbraw/zinc/72/86/85/778728685.db2.gz ATPFAUYWVXEUMM-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP CC[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccc(Cl)c1 ZINC001236194624 778731798 /nfs/dbraw/zinc/73/17/98/778731798.db2.gz PCFCYTRKQSVQOR-OAHLLOKOSA-N 2 0 282.815 2.540 20 0 CFADRP C[NH2+]C1CCC([N@H+](C)CCC[NH2+]C2CCCCC2)CC1 ZINC001236212663 778737838 /nfs/dbraw/zinc/73/78/38/778737838.db2.gz LEZTZKNYVDODGO-UHFFFAOYSA-N 3 0 281.488 2.761 20 0 CFADRP Cn1ccc2c1cccc2C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217416 778741288 /nfs/dbraw/zinc/74/12/88/778741288.db2.gz OZQAKPISEVNYDK-RDJZCZTQSA-N 2 0 271.408 2.880 20 0 CFADRP Cn1ccc2c1cccc2C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217414 778741639 /nfs/dbraw/zinc/74/16/39/778741639.db2.gz OZQAKPISEVNYDK-DOTOQJQBSA-N 2 0 271.408 2.880 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCC2)C1(C)CC[NH2+]CC1 ZINC001236221723 778744702 /nfs/dbraw/zinc/74/47/02/778744702.db2.gz DZSLPDLEFJMEGO-UHFFFAOYSA-N 2 0 258.409 2.749 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCC[NH3+] ZINC001236238056 778748108 /nfs/dbraw/zinc/74/81/08/778748108.db2.gz YASARZVTMOVBHQ-KFWWJZLASA-N 2 0 296.455 2.700 20 0 CFADRP C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288279 778763119 /nfs/dbraw/zinc/76/31/19/778763119.db2.gz YJQPPTNJRVKSPS-ZBFHGGJFSA-N 2 0 258.409 2.897 20 0 CFADRP CCOCC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387350 778766853 /nfs/dbraw/zinc/76/68/53/778766853.db2.gz FGZPJZVRVQMKIS-UHFFFAOYSA-N 2 0 280.456 2.609 20 0 CFADRP COc1cccc(CCC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315079 778773882 /nfs/dbraw/zinc/77/38/82/778773882.db2.gz VPZWLYFJPLIUKF-CALCHBBNSA-N 2 0 288.435 2.559 20 0 CFADRP CCN(CC[NH+](CC)CC)C1CC[NH+](CC2CC2)CC1 ZINC001168391074 778774086 /nfs/dbraw/zinc/77/40/86/778774086.db2.gz LQFABBDNLKVSGA-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP FC[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168391076 778774267 /nfs/dbraw/zinc/77/42/67/778774267.db2.gz LQFVZEUCMNVMTF-CQSZACIVSA-N 2 0 254.393 2.542 20 0 CFADRP C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315070 778774206 /nfs/dbraw/zinc/77/42/06/778774206.db2.gz VHXWGWLGADMNEV-ZACQAIPSSA-N 2 0 296.499 2.885 20 0 CFADRP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236314697 778774378 /nfs/dbraw/zinc/77/43/78/778774378.db2.gz FKSRKHMQEGMOFZ-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP Fc1cccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c21 ZINC001236314317 778774392 /nfs/dbraw/zinc/77/43/92/778774392.db2.gz AUJDBBDUHVTRGA-BETUJISGSA-N 2 0 287.382 2.738 20 0 CFADRP Cc1ccc2nc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236317395 778776837 /nfs/dbraw/zinc/77/68/37/778776837.db2.gz WYGDHMFCQVWEOB-CALCHBBNSA-N 2 0 295.430 2.975 20 0 CFADRP C[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001168392066 778777876 /nfs/dbraw/zinc/77/78/76/778777876.db2.gz QGOVATPVTBFYNO-ZIAGYGMSSA-N 2 0 250.430 2.981 20 0 CFADRP CCOc1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321946 778779513 /nfs/dbraw/zinc/77/95/13/778779513.db2.gz XIKGWALWIZQFKW-GASCZTMLSA-N 2 0 292.398 2.656 20 0 CFADRP c1cnc(-c2cccc3c2CC[NH2+]C3)c(C[NH+]2CCCC2)c1 ZINC001236348108 778788089 /nfs/dbraw/zinc/78/80/89/778788089.db2.gz OFDIVKHTYXAIEM-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP c1cc2c(c(-c3cccc4c3CC[NH2+]C4)c1)C[NH2+]CC2 ZINC001236355369 778790045 /nfs/dbraw/zinc/79/00/45/778790045.db2.gz WHHWZEFSWOJORP-UHFFFAOYSA-N 2 0 264.372 2.645 20 0 CFADRP Nc1[nH+]ccn1-c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236360234 778790598 /nfs/dbraw/zinc/79/05/98/778790598.db2.gz PBIIRDGBCUZENN-UHFFFAOYSA-N 2 0 290.370 2.767 20 0 CFADRP COC(=O)[C@H]1C[N@H+](CC[C@H](C)CCC=C(C)C)CC[C@@H]1[NH3+] ZINC001236412870 778807154 /nfs/dbraw/zinc/80/71/54/778807154.db2.gz XABDOCNYYGUDQO-PMPSAXMXSA-N 2 0 296.455 2.581 20 0 CFADRP CN(C)c1cc[nH+]c(-c2cccc(C[NH+](C)C)c2)c1 ZINC001236413827 778808661 /nfs/dbraw/zinc/80/86/61/778808661.db2.gz JOEMSMLLGIWQIY-UHFFFAOYSA-N 2 0 255.365 2.876 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2ccc(C[NH3+])nc2)cc1 ZINC001236437561 778829669 /nfs/dbraw/zinc/82/96/69/778829669.db2.gz UFTWNSJZKRQDPV-UHFFFAOYSA-N 2 0 269.392 2.953 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCC[NH2+]2)CC2CC2)CC1 ZINC001236553566 778875694 /nfs/dbraw/zinc/87/56/94/778875694.db2.gz ZFUSZTLVRGDOEQ-BRWVUGGUSA-N 3 0 279.472 2.501 20 0 CFADRP CC[NH+]1CCC(CN([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236646746 778902686 /nfs/dbraw/zinc/90/26/86/778902686.db2.gz IHPLULOJNQHQJI-SFHVURJKSA-N 2 0 293.499 2.715 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4occc43)C2)C1 ZINC001236740298 778925994 /nfs/dbraw/zinc/92/59/94/778925994.db2.gz VKANMAKHJFUWPW-QGZVFWFLSA-N 2 0 270.376 2.960 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)ccn1)CC2 ZINC001232497359 778944513 /nfs/dbraw/zinc/94/45/13/778944513.db2.gz DJNOTMVVJSOOBS-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@@H]12 ZINC001236817643 778951833 /nfs/dbraw/zinc/95/18/33/778951833.db2.gz DUAXYIHCOZYIGK-FVQBIDKESA-N 2 0 278.827 2.942 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]12 ZINC001236817277 778952077 /nfs/dbraw/zinc/95/20/77/778952077.db2.gz AUAUNUDPZGGUSA-ZKYQVNSYSA-N 2 0 289.810 2.990 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@@H]12 ZINC001236827268 778956488 /nfs/dbraw/zinc/95/64/88/778956488.db2.gz DZFWVKUGTNLVPN-KBAYOESNSA-N 2 0 270.420 2.735 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236950299 778984897 /nfs/dbraw/zinc/98/48/97/778984897.db2.gz LSGOCGZKNGXYLD-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP [NH3+]CCCCCCN1Cc2ccccc2C12CC[NH2+]CC2 ZINC001237304317 779072908 /nfs/dbraw/zinc/07/29/08/779072908.db2.gz HFIDSKYNPCNGPY-UHFFFAOYSA-N 2 0 287.451 2.600 20 0 CFADRP c1cc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2[nH]1 ZINC001237381161 779087897 /nfs/dbraw/zinc/08/78/97/779087897.db2.gz IEZRZBZOZIZTQX-HOTGVXAUSA-N 2 0 269.392 2.742 20 0 CFADRP FC(F)Oc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237383098 779088378 /nfs/dbraw/zinc/08/83/78/779088378.db2.gz ODWZILCKJSWQBM-HIFRSBDPSA-N 2 0 296.361 2.862 20 0 CFADRP c1cc2c(cccc2C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)[nH]1 ZINC001237384012 779089702 /nfs/dbraw/zinc/08/97/02/779089702.db2.gz TYHVJFIWSLOSRH-GDBMZVCRSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237393723 779095426 /nfs/dbraw/zinc/09/54/26/779095426.db2.gz SMISZHMQAAUDKX-PBHICJAKSA-N 2 0 274.408 2.583 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400918 779096248 /nfs/dbraw/zinc/09/62/48/779096248.db2.gz BCOLYJJTXXWWIQ-SJORKVTESA-N 2 0 258.409 2.823 20 0 CFADRP Cc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(C)c1O ZINC001237405497 779098792 /nfs/dbraw/zinc/09/87/92/779098792.db2.gz QVWRHIDGERIVNP-JKSUJKDBSA-N 2 0 274.408 2.583 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237404639 779098934 /nfs/dbraw/zinc/09/89/34/779098934.db2.gz OGKICICLIGIVDT-DLBZAZTESA-N 2 0 258.409 2.823 20 0 CFADRP Cc1c(F)cc(F)cc1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237405114 779099081 /nfs/dbraw/zinc/09/90/81/779099081.db2.gz PKINYHWIGVBJOU-WBMJQRKESA-N 2 0 280.362 2.847 20 0 CFADRP Fc1ccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ncccc12 ZINC001237414417 779102309 /nfs/dbraw/zinc/10/23/09/779102309.db2.gz LWGUAMBLIYPFQC-SUMWQHHRSA-N 2 0 299.393 2.948 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(N2CCCC2)c1 ZINC001237419318 779105361 /nfs/dbraw/zinc/10/53/61/779105361.db2.gz ZSUQNSOYODWVQN-PKOBYXMFSA-N 2 0 299.462 2.861 20 0 CFADRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(F)c2cc[nH]c21 ZINC001205087917 779136472 /nfs/dbraw/zinc/13/64/72/779136472.db2.gz KYZUKSIUYBHUCE-JQWIXIFHSA-N 2 0 261.344 2.619 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168445416 779146618 /nfs/dbraw/zinc/14/66/18/779146618.db2.gz KFLBUEVZKFNVQR-KRWDZBQOSA-N 2 0 288.410 2.711 20 0 CFADRP Cc1ccnc2cccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c12 ZINC001237625748 779148642 /nfs/dbraw/zinc/14/86/42/779148642.db2.gz BVFUOEPOVKIKEE-IYBDPMFKSA-N 2 0 281.403 2.537 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)ccc4C3)C[C@H]2C1 ZINC001168448376 779171821 /nfs/dbraw/zinc/17/18/21/779171821.db2.gz LDFKGHUQIISOAF-NUJGCVRESA-N 2 0 288.410 2.567 20 0 CFADRP COc1ccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000699313300 779240484 /nfs/dbraw/zinc/24/04/84/779240484.db2.gz XDGSPUUBWYHGIO-MQVJKMGUSA-N 2 0 274.408 2.658 20 0 CFADRP CCOc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccc1C ZINC001238073085 779247062 /nfs/dbraw/zinc/24/70/62/779247062.db2.gz BYPSXSHUUCEBBL-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168473883 779251992 /nfs/dbraw/zinc/25/19/92/779251992.db2.gz PCJCNGMDKJDPEK-CQSZACIVSA-N 2 0 294.414 2.587 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000699456598 779265214 /nfs/dbraw/zinc/26/52/14/779265214.db2.gz MTWJIIIDUVDXNM-IAGOWNOFSA-N 2 0 276.424 2.523 20 0 CFADRP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205123692 779267851 /nfs/dbraw/zinc/26/78/51/779267851.db2.gz FEADLJQGUJSWJD-CQSZACIVSA-N 2 0 250.361 2.756 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3cccc(-c4cc[nH]n4)c3)C2)CC1 ZINC001238203585 779280675 /nfs/dbraw/zinc/28/06/75/779280675.db2.gz MZFHSNNFAGPMFO-UHFFFAOYSA-N 2 0 296.418 2.604 20 0 CFADRP CCN1CCC([N@H+](C)Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238207894 779281349 /nfs/dbraw/zinc/28/13/49/779281349.db2.gz SKSDOTGZMZLYKC-UHFFFAOYSA-N 2 0 298.434 2.993 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000699525779 779289195 /nfs/dbraw/zinc/28/91/95/779289195.db2.gz MWOAYMNWGXYRDA-ZNMIVQPWSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(O)c3ccccc23)C[C@H]1C[NH3+] ZINC001205135900 779304337 /nfs/dbraw/zinc/30/43/37/779304337.db2.gz DORIJFOUQXIASI-GXTWGEPZSA-N 2 0 270.376 2.572 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)C1(C)C ZINC001235338009 779344942 /nfs/dbraw/zinc/34/49/42/779344942.db2.gz NNKOPCZBCQSTIJ-HOCLYGCPSA-N 2 0 262.441 2.910 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1c[nH]c2cccc(Cl)c12 ZINC001235435529 779352836 /nfs/dbraw/zinc/35/28/36/779352836.db2.gz NKDVPRBVLPKUPM-UHFFFAOYSA-N 2 0 251.761 2.602 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205155693 779361920 /nfs/dbraw/zinc/36/19/20/779361920.db2.gz BZINPFFTVRGFAD-GOEBONIOSA-N 2 0 276.424 2.809 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001235677135 779367406 /nfs/dbraw/zinc/36/74/06/779367406.db2.gz YRVOAORGKQUYPS-CQSZACIVSA-N 2 0 258.409 2.736 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235778204 779378212 /nfs/dbraw/zinc/37/82/12/779378212.db2.gz WFIHPNRZJBDFFF-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1cccc2c1CC[N@H+](CC1(C)CC[NH2+]CC1)C2 ZINC001205164312 779384464 /nfs/dbraw/zinc/38/44/64/779384464.db2.gz CMCQAYSHTKDCMN-UHFFFAOYSA-N 2 0 258.409 2.743 20 0 CFADRP Cc1cc(F)cc(C)c1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC001235957223 779415170 /nfs/dbraw/zinc/41/51/70/779415170.db2.gz KZVJOBMZYATAKY-CQSZACIVSA-N 2 0 264.388 2.874 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000721274867 779527701 /nfs/dbraw/zinc/52/77/01/779527701.db2.gz QYFXEFIWJMQJCO-YHUYYLMFSA-N 2 0 268.445 2.797 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1OC)C[C@H]1CC[NH2+]C1 ZINC001236835658 779645410 /nfs/dbraw/zinc/64/54/10/779645410.db2.gz OOQPMFFOUUOJMH-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP [NH3+]Cc1cncc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001239797567 779779424 /nfs/dbraw/zinc/77/94/24/779779424.db2.gz SHVPOYPDGCMQFR-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205210301 779915589 /nfs/dbraw/zinc/91/55/89/779915589.db2.gz NRFDARSNPDJCER-MJSXRHKHSA-N 2 0 268.445 2.689 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1(C)C ZINC001205210533 779917817 /nfs/dbraw/zinc/91/78/17/779917817.db2.gz PPBZMHUTXAAYNR-WBVHZDCISA-N 2 0 280.456 2.545 20 0 CFADRP O=C(CC[NH+]1CCCCC1)Nc1ccc(-n2ccnc2)cc1 ZINC001142916138 779920513 /nfs/dbraw/zinc/92/05/13/779920513.db2.gz OPESTCQOYNZXJC-UHFFFAOYSA-N 2 0 298.390 2.687 20 0 CFADRP Cc1n[nH]c(C)c1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001240129153 779953885 /nfs/dbraw/zinc/95/38/85/779953885.db2.gz ZYLTZLBRNFWBRE-UHFFFAOYSA-N 2 0 298.434 2.864 20 0 CFADRP [NH3+]Cc1ccccc1-c1cccc(CC[NH+]2CCOCC2)c1 ZINC001240271080 780040561 /nfs/dbraw/zinc/04/05/61/780040561.db2.gz URJKSNBWHCENNN-UHFFFAOYSA-N 2 0 296.414 2.687 20 0 CFADRP c1nc2ccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cc2s1 ZINC001240345237 780096755 /nfs/dbraw/zinc/09/67/55/780096755.db2.gz SVUUSLOWBBSIQV-UHFFFAOYSA-N 2 0 296.399 2.768 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000715572057 780170083 /nfs/dbraw/zinc/17/00/83/780170083.db2.gz JLGUKIHMXPHGJA-MQBCKMQZSA-N 2 0 274.408 2.842 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000715580374 780172145 /nfs/dbraw/zinc/17/21/45/780172145.db2.gz LTTXNCKMOMGQEM-UHFFFAOYSA-N 2 0 252.324 2.791 20 0 CFADRP c1cc2c(cc1-c1ccc3c(c1)CC[NH2+]C3)C[NH2+]CC2 ZINC001240455572 780177531 /nfs/dbraw/zinc/17/75/31/780177531.db2.gz WPEFLDBFZNKBOL-UHFFFAOYSA-N 2 0 264.372 2.645 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240457366 780179523 /nfs/dbraw/zinc/17/95/23/780179523.db2.gz SCMBBQPTZPZNIZ-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP c1nc2ccc(C3=CC[NH2+]CC3)cc2n1[C@@H]1CCC[NH2+]CC1 ZINC001240468030 780185590 /nfs/dbraw/zinc/18/55/90/780185590.db2.gz JYNOJCNKUYSJGD-MRXNPFEDSA-N 2 0 296.418 2.728 20 0 CFADRP Cc1n[nH]cc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001240523040 780230044 /nfs/dbraw/zinc/23/00/44/780230044.db2.gz PZDCLKDCVMOGDV-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP Clc1cccc2c1C[C@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC001168676498 780272893 /nfs/dbraw/zinc/27/28/93/780272893.db2.gz NLCQXHFVLKZRGI-CQSZACIVSA-N 2 0 278.827 2.883 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240653720 780330297 /nfs/dbraw/zinc/33/02/97/780330297.db2.gz YVLJTWFIBAVNMG-CQSZACIVSA-N 2 0 271.408 2.833 20 0 CFADRP c1cc2c(cccc2-c2cc(N3CC[NH2+]CC3)cc[nH+]2)[nH]1 ZINC001240712609 780383329 /nfs/dbraw/zinc/38/33/29/780383329.db2.gz KGYVLVLMVUDDNM-UHFFFAOYSA-N 2 0 278.359 2.640 20 0 CFADRP Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1OC(C)C ZINC001205046684 780465286 /nfs/dbraw/zinc/46/52/86/780465286.db2.gz IUWPXERESSIXKX-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+](CC)CCCC[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168750230 780631690 /nfs/dbraw/zinc/63/16/90/780631690.db2.gz GAJXSDVYEIQXHA-UHFFFAOYSA-N 2 0 298.471 2.820 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc[nH]c3=O)c2)CC1 ZINC001241121395 780649508 /nfs/dbraw/zinc/64/95/08/780649508.db2.gz JICWVFZCIYRLIZ-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCc2cccs2)CC[C@H]1C(F)(F)F ZINC000700817036 780726940 /nfs/dbraw/zinc/72/69/40/780726940.db2.gz PCGYVSLXXZMFGL-ZYHUDNBSSA-N 2 0 292.370 2.750 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000700822060 780727240 /nfs/dbraw/zinc/72/72/40/780727240.db2.gz BAFMZQOUOGOLMH-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CCC(CC)[C@H](C[NH2+]C1CCC(C)(O)CC1)N(C)C ZINC000703002125 780976372 /nfs/dbraw/zinc/97/63/72/780976372.db2.gz DHWBHLQIRCMVBN-PCKAHOCUSA-N 2 0 270.461 2.636 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc([C@@H]3CCC[NH2+]C3)cc2)C1 ZINC001241570305 780986377 /nfs/dbraw/zinc/98/63/77/780986377.db2.gz GYGMYBSVJPURCJ-MRXNPFEDSA-N 2 0 256.393 2.873 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2cc3c(nn2)CC[NH2+]C3)cc1 ZINC001241575276 780992099 /nfs/dbraw/zinc/99/20/99/780992099.db2.gz DYAHXHFSXIYAAE-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000704771561 781114876 /nfs/dbraw/zinc/11/48/76/781114876.db2.gz NECNLHVVUUTCKV-ZDUSSCGKSA-N 2 0 256.459 2.592 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(OCC[NH+]3CCCC3)nc2)cc1 ZINC001241915165 781179317 /nfs/dbraw/zinc/17/93/17/781179317.db2.gz RCZHERIWOBJSNK-UHFFFAOYSA-N 2 0 297.402 2.682 20 0 CFADRP C[NH+](C)/C=C/c1ccncc1-c1ccc(C[NH3+])cc1 ZINC001241917863 781180769 /nfs/dbraw/zinc/18/07/69/781180769.db2.gz NHWBPVFGFCGUOW-CSKARUKUSA-N 2 0 253.349 2.740 20 0 CFADRP CSC1CC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000706888710 781213160 /nfs/dbraw/zinc/21/31/60/781213160.db2.gz PSUVKWNAASOHJA-KLAILNCOSA-N 2 0 290.476 2.992 20 0 CFADRP C[NH+](C)Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC001242027793 781241351 /nfs/dbraw/zinc/24/13/51/781241351.db2.gz LNHGJRYPQXURRA-CABCVRRESA-N 2 0 260.356 2.795 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])CCc1nccs1 ZINC000708460024 781276049 /nfs/dbraw/zinc/27/60/49/781276049.db2.gz QZADMLYZJCBFQA-UHFFFAOYSA-N 2 0 255.431 2.527 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[C@H]1CCCC2 ZINC000708874863 781283864 /nfs/dbraw/zinc/28/38/64/781283864.db2.gz KXNCXTVUCPVKAG-OIBBZDHESA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccns1 ZINC000709774886 781311872 /nfs/dbraw/zinc/31/18/72/781311872.db2.gz IYTLABBQHKXYLZ-QWHCGFSZSA-N 2 0 267.442 2.586 20 0 CFADRP CC(C)(C)CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709802046 781318339 /nfs/dbraw/zinc/31/83/39/781318339.db2.gz HUSCIRICTXMGNC-GHMZBOCLSA-N 2 0 266.351 2.882 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C(C)(C)O1 ZINC000709890419 781321863 /nfs/dbraw/zinc/32/18/63/781321863.db2.gz GKCVNHOYTHMPDB-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[NH2+]1 ZINC000710500131 781333774 /nfs/dbraw/zinc/33/37/74/781333774.db2.gz ROHQJHUQOGZFDF-OADHPXTJSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCS1 ZINC000710839280 781341235 /nfs/dbraw/zinc/34/12/35/781341235.db2.gz OSDVVOMLIRSLAS-LLVKDONJSA-N 2 0 282.478 2.721 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000711091967 781357095 /nfs/dbraw/zinc/35/70/95/781357095.db2.gz JLLJTEJLONRNNW-CABCVRRESA-N 2 0 276.424 2.774 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(Cl)n1 ZINC000711201508 781396349 /nfs/dbraw/zinc/39/63/49/781396349.db2.gz QPTCQPMZZWGLQH-UHFFFAOYSA-N 2 0 267.804 2.604 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)OC1 ZINC000711360139 781415615 /nfs/dbraw/zinc/41/56/15/781415615.db2.gz MXFOIFVYNGFAOM-QKPAOTATSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000711831948 781474679 /nfs/dbraw/zinc/47/46/79/781474679.db2.gz FYPPZCUWTRGBBC-XKQJLSEDSA-N 2 0 280.456 2.512 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(OC)c1Cl ZINC001205058964 781644146 /nfs/dbraw/zinc/64/41/46/781644146.db2.gz ZVPZCEJVSSSPRM-UHFFFAOYSA-N 2 0 298.814 2.528 20 0 CFADRP C[N@@H+]1CCc2cc(-c3ccc4c(c3)C[NH2+]C4)ccc2C1 ZINC001242673929 781689508 /nfs/dbraw/zinc/68/95/08/781689508.db2.gz KISNVPDERNYXJP-UHFFFAOYSA-N 2 0 264.372 2.945 20 0 CFADRP [NH3+]Cc1ccnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001242686873 781695615 /nfs/dbraw/zinc/69/56/15/781695615.db2.gz JEYDEDPZRZQBET-OAHLLOKOSA-N 2 0 257.381 2.572 20 0 CFADRP Cc1cnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc1C1C[NH2+]C1 ZINC001242693864 781700020 /nfs/dbraw/zinc/70/00/20/781700020.db2.gz YLVRYTZKZRXLAX-MRXNPFEDSA-N 2 0 298.434 2.504 20 0 CFADRP Cc1cc(C)[nH+]c(N2CCCCC23CC[NH2+]CC3)c1 ZINC001165337905 781749692 /nfs/dbraw/zinc/74/96/92/781749692.db2.gz YAVPEWLAOMCQFY-UHFFFAOYSA-N 2 0 259.397 2.811 20 0 CFADRP CCC[C@@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)OC ZINC001119236690 781751276 /nfs/dbraw/zinc/75/12/76/781751276.db2.gz ACJWOKRANUGSNN-CABCVRRESA-N 2 0 256.434 2.608 20 0 CFADRP C[NH2+]Cc1cccc(-c2cccc3c2C[NH2+]CC3)c1 ZINC001242995718 781910564 /nfs/dbraw/zinc/91/05/64/781910564.db2.gz KRAHVMNLEPKEQK-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000124517748 187141251 /nfs/dbraw/zinc/14/12/51/187141251.db2.gz XDVBUYBRFNMSHR-WBOJAVRRSA-N 2 0 294.414 2.911 20 0 CFADRP CS[C@H](C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422942975 295660880 /nfs/dbraw/zinc/66/08/80/295660880.db2.gz XHQRCGMDDXALBU-INWMFGNUSA-N 2 0 292.448 2.583 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000127717686 187328722 /nfs/dbraw/zinc/32/87/22/187328722.db2.gz VFVIJAUWQBPBTN-KGLIPLIRSA-N 2 0 295.858 2.627 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1C ZINC000273054849 192032012 /nfs/dbraw/zinc/03/20/12/192032012.db2.gz KHZKHBSAMQVRET-KGLIPLIRSA-N 2 0 264.413 2.994 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000127789361 187332473 /nfs/dbraw/zinc/33/24/73/187332473.db2.gz HUDKDYOCQWTXCT-DOMZBBRYSA-N 2 0 250.361 2.613 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000595011503 349548251 /nfs/dbraw/zinc/54/82/51/349548251.db2.gz FSZGVKZWZMNDKR-CABCVRRESA-N 2 0 298.471 2.676 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1C ZINC000273086366 192038797 /nfs/dbraw/zinc/03/87/97/192038797.db2.gz QJGHKONWQYLBAG-CYBMUJFWSA-N 2 0 250.386 2.606 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CSCCF)CC1 ZINC000595003795 349543969 /nfs/dbraw/zinc/54/39/69/349543969.db2.gz KHOGPUZJXMMWAW-GFCCVEGCSA-N 2 0 262.438 2.542 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000595004282 349544514 /nfs/dbraw/zinc/54/45/14/349544514.db2.gz OJGSZTOLYRDMFR-NSHDSACASA-N 2 0 276.465 2.976 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000595005314 349545556 /nfs/dbraw/zinc/54/55/56/349545556.db2.gz BYUMCFXIJJSSEV-CYBMUJFWSA-N 2 0 286.460 2.532 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000595045844 349562641 /nfs/dbraw/zinc/56/26/41/349562641.db2.gz HWNUUDXVHNAZJH-MGPQQGTHSA-N 2 0 274.449 2.684 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000595052057 349565671 /nfs/dbraw/zinc/56/56/71/349565671.db2.gz QJVPAENPNCXJRS-HUUCEWRRSA-N 2 0 298.471 2.676 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCCC23CC3)CC[NH+](C)CC1 ZINC000595052181 349565895 /nfs/dbraw/zinc/56/58/95/349565895.db2.gz QSAPXXWPYRNLCM-CYBMUJFWSA-N 2 0 268.470 2.736 20 0 CFADRP CC(C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000083383755 178387042 /nfs/dbraw/zinc/38/70/42/178387042.db2.gz BHLVZGFSLCGNMP-UHFFFAOYSA-N 2 0 250.386 2.515 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125382748 187182911 /nfs/dbraw/zinc/18/29/11/187182911.db2.gz XEOHTYRFHQOKDZ-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000096950576 185138867 /nfs/dbraw/zinc/13/88/67/185138867.db2.gz DIEWGFQBJDGSLM-KRWDZBQOSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125521901 187188712 /nfs/dbraw/zinc/18/87/12/187188712.db2.gz ZUKIFFNJCUYLCS-VNQPRFMTSA-N 2 0 276.399 2.973 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414965971 529418330 /nfs/dbraw/zinc/41/83/30/529418330.db2.gz BGPJQAWUORXLKI-LSDHHAIUSA-N 2 0 270.461 2.807 20 0 CFADRP CC[C@H](C(=O)OC(C)(C)C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504453 349644868 /nfs/dbraw/zinc/64/48/68/349644868.db2.gz JOKAIHKNIODDQE-RHSMWYFYSA-N 2 0 296.455 2.524 20 0 CFADRP CC[C@@H](C[NH2+][C@H](CCC[NH3+])COC)c1ccccc1 ZINC000422709750 529495773 /nfs/dbraw/zinc/49/57/73/529495773.db2.gz DXISLJFHIBKYPN-GOEBONIOSA-N 2 0 264.413 2.524 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000069833161 346902413 /nfs/dbraw/zinc/90/24/13/346902413.db2.gz BFLRQPHYJUQTLM-UHFFFAOYSA-N 2 0 274.364 2.510 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000338747293 282188193 /nfs/dbraw/zinc/18/81/93/282188193.db2.gz UASCLDGDWZJWOS-HNNXBMFYSA-N 2 0 279.815 2.966 20 0 CFADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1C ZINC000070183472 346907282 /nfs/dbraw/zinc/90/72/82/346907282.db2.gz BRIFZWPYQHNOSU-UHFFFAOYSA-N 2 0 262.397 2.564 20 0 CFADRP COc1cccc([C@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000070183658 346907348 /nfs/dbraw/zinc/90/73/48/346907348.db2.gz OWCSPOSJWDMCBN-ZDUSSCGKSA-N 2 0 262.397 2.817 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245830346 282194830 /nfs/dbraw/zinc/19/48/30/282194830.db2.gz BQKOBJKBUAKCRU-GCSSGZNBSA-N 2 0 280.456 2.652 20 0 CFADRP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768621 529567836 /nfs/dbraw/zinc/56/78/36/529567836.db2.gz MCEPGUKZRPHKCW-IYBDPMFKSA-N 2 0 288.435 2.689 20 0 CFADRP CC[C@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422771624 529590016 /nfs/dbraw/zinc/59/00/16/529590016.db2.gz XNIGPRPHBOCRML-JYJNAYRXSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC1(C)C ZINC000414125686 529584986 /nfs/dbraw/zinc/58/49/86/529584986.db2.gz QHMALUWUUSHMNZ-UAGQMJEPSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423245714 529606483 /nfs/dbraw/zinc/60/64/83/529606483.db2.gz JGCZWDVETGBQLZ-HIFRSBDPSA-N 2 0 292.423 2.744 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423142857 282956528 /nfs/dbraw/zinc/95/65/28/282956528.db2.gz BLLYXSBMCZUAPG-JARUQAPTSA-N 2 0 254.393 2.777 20 0 CFADRP CC[C@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@@H]1CCOC1 ZINC000423272696 529603329 /nfs/dbraw/zinc/60/33/29/529603329.db2.gz IHQLPUZLKQSSMJ-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422962116 529620344 /nfs/dbraw/zinc/62/03/44/529620344.db2.gz DWKIZDBFUCJRQM-HRCADAONSA-N 2 0 291.439 2.537 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423116568 529620514 /nfs/dbraw/zinc/62/05/14/529620514.db2.gz QLALQPCRFNGLQQ-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423216607 529620841 /nfs/dbraw/zinc/62/08/41/529620841.db2.gz RXCQJAMUUADLSG-WFASDCNBSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423220611 529620914 /nfs/dbraw/zinc/62/09/14/529620914.db2.gz YKNVMLLYWCDLGO-WFASDCNBSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCO[C@H](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423147294 529621923 /nfs/dbraw/zinc/62/19/23/529621923.db2.gz CHBFCIFBECSLAZ-VGWMRTNUSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000126151546 187221242 /nfs/dbraw/zinc/22/12/42/187221242.db2.gz MWHMOXPLMXROKO-NWDGAFQWSA-N 2 0 252.427 2.743 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423262272 529622563 /nfs/dbraw/zinc/62/25/63/529622563.db2.gz UVPGVPSZEMHNGN-KGLIPLIRSA-N 2 0 261.413 2.684 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423262271 529622975 /nfs/dbraw/zinc/62/29/75/529622975.db2.gz UVPGVPSZEMHNGN-KBPBESRZSA-N 2 0 261.413 2.684 20 0 CFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422950852 529638777 /nfs/dbraw/zinc/63/87/77/529638777.db2.gz WSGNVMKUIQYFAO-MJBXVCDLSA-N 2 0 291.439 2.887 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422950721 529670645 /nfs/dbraw/zinc/67/06/45/529670645.db2.gz WOQTXDOIUTZWCI-GJZGRUSLSA-N 2 0 290.407 2.641 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422760942 529672773 /nfs/dbraw/zinc/67/27/73/529672773.db2.gz QPXKGXHNOGHUFN-ULQDDVLXSA-N 2 0 258.409 2.664 20 0 CFADRP CCc1ccc([C@@H](CN[C@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422731959 529709158 /nfs/dbraw/zinc/70/91/58/529709158.db2.gz OORKMUZSBWYTAR-FHLIZLRMSA-N 2 0 289.467 2.582 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126759549 187261233 /nfs/dbraw/zinc/26/12/33/187261233.db2.gz OPTBUCUPRWPEBZ-VNQPRFMTSA-N 2 0 274.408 2.540 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CCC[C@H]1C[NH3+])OC ZINC000422991488 282273295 /nfs/dbraw/zinc/27/32/95/282273295.db2.gz BGBMPKOJEPKKMN-KKUMJFAQSA-N 2 0 256.434 2.545 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)s1 ZINC000423346437 529729639 /nfs/dbraw/zinc/72/96/39/529729639.db2.gz PFGDNQDXCZUFJK-JTQLQIEISA-N 2 0 265.426 2.584 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000414336962 529806249 /nfs/dbraw/zinc/80/62/49/529806249.db2.gz PKQDNVOXQCJBRR-ULQDDVLXSA-N 2 0 287.451 2.822 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCCCCC1 ZINC000426228179 529930053 /nfs/dbraw/zinc/93/00/53/529930053.db2.gz TYVUMKZWPSQJAT-INIZCTEOSA-N 2 0 282.472 2.878 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000666172174 539383828 /nfs/dbraw/zinc/38/38/28/539383828.db2.gz PGAIPAYPFCSGIQ-DGCLKSJQSA-N 2 0 267.442 2.834 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423198705 529971671 /nfs/dbraw/zinc/97/16/71/529971671.db2.gz HKAGYZFOZTYSCV-JKSUJKDBSA-N 2 0 276.424 2.569 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CC=C(C)C)CC1 ZINC000075007880 347047319 /nfs/dbraw/zinc/04/73/19/347047319.db2.gz MYABAUOFHVWSKQ-UHFFFAOYSA-N 2 0 268.445 2.775 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000348252990 539389817 /nfs/dbraw/zinc/38/98/17/539389817.db2.gz GDHRBVNSAMUYCE-MRXNPFEDSA-N 2 0 270.380 2.505 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414860168 529971218 /nfs/dbraw/zinc/97/12/18/529971218.db2.gz OMMPCOYVIMJWLW-HUUCEWRRSA-N 2 0 250.361 2.661 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423198498 529971272 /nfs/dbraw/zinc/97/12/72/529971272.db2.gz GFUDPNIVZVYZFJ-JKSUJKDBSA-N 2 0 296.842 2.629 20 0 CFADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000422537941 529979784 /nfs/dbraw/zinc/97/97/84/529979784.db2.gz HXNKOFJDXOODAL-CYBMUJFWSA-N 2 0 297.402 2.721 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414838716 529985137 /nfs/dbraw/zinc/98/51/37/529985137.db2.gz LMRDAFNQEFZSAL-NEPJUHHUSA-N 2 0 299.256 2.998 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414844434 529985229 /nfs/dbraw/zinc/98/52/29/529985229.db2.gz RIBMQNAOELFFPM-SECBINFHSA-N 2 0 289.192 2.533 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000423278250 529986003 /nfs/dbraw/zinc/98/60/03/529986003.db2.gz QXTNPCPVYZBFKN-MLGOLLRUSA-N 2 0 276.424 2.962 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423279660 529986303 /nfs/dbraw/zinc/98/63/03/529986303.db2.gz SPIGCVCAUUKWRQ-MFKMUULPSA-N 2 0 268.401 2.808 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000414841432 529998613 /nfs/dbraw/zinc/99/86/13/529998613.db2.gz OEVBKWBRYLVSHE-AWEZNQCLSA-N 2 0 264.413 2.667 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC000414831317 529998718 /nfs/dbraw/zinc/99/87/18/529998718.db2.gz CXMQODLWZDJPID-AWEZNQCLSA-N 2 0 294.439 2.675 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000423255965 529998948 /nfs/dbraw/zinc/99/89/48/529998948.db2.gz BCQIFUBOKQQVKE-AAEUAGOBSA-N 2 0 280.412 2.518 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414848364 529999143 /nfs/dbraw/zinc/99/91/43/529999143.db2.gz WUTGKWMWZFPTDM-RYUDHWBXSA-N 2 0 297.830 2.502 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423281421 529999757 /nfs/dbraw/zinc/99/97/57/529999757.db2.gz VKZGJFDSKIBGEJ-WDEREUQCSA-N 2 0 272.339 2.794 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000423271637 529999773 /nfs/dbraw/zinc/99/97/73/529999773.db2.gz JDHOVIQRJRNKKY-UONOGXRCSA-N 2 0 286.423 2.593 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423278477 530000168 /nfs/dbraw/zinc/00/01/68/530000168.db2.gz RAMAAEYPEPFFDW-BPUTZDHNSA-N 2 0 275.440 2.861 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414841519 530000182 /nfs/dbraw/zinc/00/01/82/530000182.db2.gz NJASUUDPYSNVMK-XIRDDKMYSA-N 2 0 260.425 2.843 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121286519 539402887 /nfs/dbraw/zinc/40/28/87/539402887.db2.gz WLGCMCYCIIEVIS-MRXNPFEDSA-N 2 0 280.362 2.884 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000414169801 530060851 /nfs/dbraw/zinc/06/08/51/530060851.db2.gz BNSVJMDXWSRIJW-TWMKSMIVSA-N 2 0 292.467 2.656 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348372107 539437562 /nfs/dbraw/zinc/43/75/62/539437562.db2.gz HVIPQYCSCMMJBD-VSZNYVQBSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@@H]([NH2+]C1CC=CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000122028691 539448869 /nfs/dbraw/zinc/44/88/69/539448869.db2.gz ZBPBTNYTCSFPFT-CQSZACIVSA-N 2 0 274.408 2.996 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000116916495 232195442 /nfs/dbraw/zinc/19/54/42/232195442.db2.gz VDSBDQFPLACIPQ-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131730369 232207333 /nfs/dbraw/zinc/20/73/33/232207333.db2.gz UONBSANEXWLBMK-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000089623142 539479159 /nfs/dbraw/zinc/47/91/59/539479159.db2.gz RGTRCHILHWGZKM-LSDHHAIUSA-N 2 0 290.451 2.946 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCO1 ZINC000080170423 539480106 /nfs/dbraw/zinc/48/01/06/539480106.db2.gz CEPJHVCWBBJKQW-KRWDZBQOSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)C1CC[NH+](C)CC1 ZINC000089722584 539500494 /nfs/dbraw/zinc/50/04/94/539500494.db2.gz LXJGGRRVYZMSQU-LSDHHAIUSA-N 2 0 276.424 2.774 20 0 CFADRP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCCC1 ZINC000123977106 539514206 /nfs/dbraw/zinc/51/42/06/539514206.db2.gz YVYGQQPSYKFLRX-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000178222108 232376271 /nfs/dbraw/zinc/37/62/71/232376271.db2.gz DMAGKZGUOQOSMG-KCQAQPDRSA-N 2 0 289.423 2.671 20 0 CFADRP C[NH+](C)CCCN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167790 539525345 /nfs/dbraw/zinc/52/53/45/539525345.db2.gz IJBRVXFXWIMZRD-QGZVFWFLSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](CCCO)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090188871 539527816 /nfs/dbraw/zinc/52/78/16/539527816.db2.gz QWEYRRYHTCGRAH-NVXWUHKLSA-N 2 0 290.451 2.790 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000032181791 346301258 /nfs/dbraw/zinc/30/12/58/346301258.db2.gz NVDUPQWFYSMHPA-UHFFFAOYSA-N 2 0 298.430 2.959 20 0 CFADRP CCCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000063159125 346697357 /nfs/dbraw/zinc/69/73/57/346697357.db2.gz NQJQQXXRCDFSPN-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP Clc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000257701248 282507933 /nfs/dbraw/zinc/50/79/33/282507933.db2.gz QEILWHOZHZCZIF-UHFFFAOYSA-N 2 0 264.800 2.916 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCCOC1 ZINC000080199910 347348380 /nfs/dbraw/zinc/34/83/80/347348380.db2.gz CNHIBKHIRMRRFM-KRWDZBQOSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC1=CCCC1 ZINC000090798646 347557635 /nfs/dbraw/zinc/55/76/35/347557635.db2.gz PRWZGTCZBIMADF-NJAFHUGGSA-N 2 0 292.467 2.966 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000091333288 347582379 /nfs/dbraw/zinc/58/23/79/347582379.db2.gz ODECSIJCAABNCJ-INIZCTEOSA-N 2 0 261.413 2.710 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010456 347689794 /nfs/dbraw/zinc/68/97/94/347689794.db2.gz LOBSXPQWNRWPJQ-ZDUSSCGKSA-N 2 0 250.411 2.715 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000094009745 347690191 /nfs/dbraw/zinc/69/01/91/347690191.db2.gz UEGOVHLMXIRRBW-NSHDSACASA-N 2 0 284.350 2.938 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093214612 347665743 /nfs/dbraw/zinc/66/57/43/347665743.db2.gz PDPLMMYWYAJTEG-HOTGVXAUSA-N 2 0 262.397 2.583 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000093215162 347666443 /nfs/dbraw/zinc/66/64/43/347666443.db2.gz JYIDVJJOMZGQKR-OLZOCXBDSA-N 2 0 250.411 2.638 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000094470715 539569816 /nfs/dbraw/zinc/56/98/16/539569816.db2.gz JLQAHNHIWKKBBM-MELADBBJSA-N 2 0 258.475 2.981 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccs1 ZINC000126163308 347832646 /nfs/dbraw/zinc/83/26/46/347832646.db2.gz OPBGOHLBMREDFC-RYUDHWBXSA-N 2 0 252.427 2.885 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cscn1 ZINC000396451652 539579289 /nfs/dbraw/zinc/57/92/89/539579289.db2.gz VEJQCKHPTGLHRB-GHMZBOCLSA-N 2 0 253.415 2.524 20 0 CFADRP COCc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000124463916 539579457 /nfs/dbraw/zinc/57/94/57/539579457.db2.gz FMERTTJVWDHCTM-AWEZNQCLSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000396468678 539579889 /nfs/dbraw/zinc/57/98/89/539579889.db2.gz VLWQIBSKDDCMBG-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000130304887 347869284 /nfs/dbraw/zinc/86/92/84/347869284.db2.gz HFMXUVGSYNFUKF-MRXNPFEDSA-N 2 0 289.423 2.594 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000130296081 539587994 /nfs/dbraw/zinc/58/79/94/539587994.db2.gz ODEVWONIKRKTQU-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000134045505 347895258 /nfs/dbraw/zinc/89/52/58/347895258.db2.gz ISLYALBJRPLWSZ-RDJZCZTQSA-N 2 0 260.425 2.797 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000124594758 539594415 /nfs/dbraw/zinc/59/44/15/539594415.db2.gz WNBFWFJYYHXPIA-ZIAGYGMSSA-N 2 0 294.414 2.913 20 0 CFADRP C1CCC([NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000161645317 348025477 /nfs/dbraw/zinc/02/54/77/348025477.db2.gz BHPZLUUKCXGOJI-SJLPKXTDSA-N 2 0 291.483 2.610 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000130380763 539598441 /nfs/dbraw/zinc/59/84/41/539598441.db2.gz UODBTMZYVQPWBW-LBPRGKRZSA-N 2 0 281.469 2.568 20 0 CFADRP CCc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000225382109 348176701 /nfs/dbraw/zinc/17/67/01/348176701.db2.gz JVXHXIQGOUTQQC-CQSZACIVSA-N 2 0 252.427 2.790 20 0 CFADRP Cc1cccn2c(C[NH2+][C@](C)(CO)c3ccccc3)cnc12 ZINC000237774354 348242630 /nfs/dbraw/zinc/24/26/30/348242630.db2.gz HNKQYQFRGQLHPD-GOSISDBHSA-N 2 0 295.386 2.640 20 0 CFADRP CCOC(=O)CC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245579402 348255697 /nfs/dbraw/zinc/25/56/97/348255697.db2.gz IJXBUQAKZNRIQD-HZPDHXFCSA-N 2 0 296.455 2.526 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249888699 348285402 /nfs/dbraw/zinc/28/54/02/348285402.db2.gz RFRYDKYABAWWMU-MIFYACCESA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250512305 348288025 /nfs/dbraw/zinc/28/80/25/348288025.db2.gz PGECSAXUZSAMMY-QAPCUYQASA-N 2 0 272.436 2.864 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000128846705 187394238 /nfs/dbraw/zinc/39/42/38/187394238.db2.gz GTJJMSHODGPAAW-ZDUSSCGKSA-N 2 0 272.314 2.937 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000300077337 348366103 /nfs/dbraw/zinc/36/61/03/348366103.db2.gz AYWPNOMERVLVGJ-NUEKZKHPSA-N 2 0 250.430 2.910 20 0 CFADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC(C)(C)C2)ccn1 ZINC000273363945 192127349 /nfs/dbraw/zinc/12/73/49/192127349.db2.gz OWDQJCRZNGADLE-HNNXBMFYSA-N 2 0 291.439 2.690 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000672617022 539641558 /nfs/dbraw/zinc/64/15/58/539641558.db2.gz UOLGNUZATYKVAB-CQSZACIVSA-N 2 0 270.461 2.759 20 0 CFADRP C1CCC([NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)C1 ZINC000336612274 348451882 /nfs/dbraw/zinc/45/18/82/348451882.db2.gz BHPZLUUKCXGOJI-WMZOPIPTSA-N 2 0 291.483 2.610 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC(F)(F)F ZINC000402505596 348582279 /nfs/dbraw/zinc/58/22/79/348582279.db2.gz BBARPUYCEZTFOM-GARJFASQSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](Nc1cc[nH+]c2ccccc12)C1CC[NH+](C)CC1 ZINC000396453697 348557955 /nfs/dbraw/zinc/55/79/55/348557955.db2.gz INXDSQKBPXNXOK-ZDUSSCGKSA-N 2 0 269.392 2.799 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000400919146 348575478 /nfs/dbraw/zinc/57/54/78/348575478.db2.gz DZPWUGJUAPEVKF-XPABHHOTSA-N 2 0 268.470 2.638 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000090723070 539655954 /nfs/dbraw/zinc/65/59/54/539655954.db2.gz RGPUAVHBOMUAGK-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1COc2ccccc21 ZINC000090845460 539656490 /nfs/dbraw/zinc/65/64/90/539656490.db2.gz QGWSEQHSTMLKJA-ZQIUZPCESA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1COc2ccccc21 ZINC000584768017 348714013 /nfs/dbraw/zinc/71/40/13/348714013.db2.gz QQAGEZJFMKWAIV-DSJMHWKBSA-N 2 0 274.408 2.529 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(F)c1 ZINC000584841026 348720999 /nfs/dbraw/zinc/72/09/99/348720999.db2.gz BBXUSEYUCNFADH-ZDUSSCGKSA-N 2 0 292.398 2.798 20 0 CFADRP CCCOc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000584594367 348682901 /nfs/dbraw/zinc/68/29/01/348682901.db2.gz XTWNWLDDDUODJW-CHWSQXEVSA-N 2 0 280.412 2.699 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000122457875 539666035 /nfs/dbraw/zinc/66/60/35/539666035.db2.gz WIGLBRGMGWLJDA-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000079972479 539669852 /nfs/dbraw/zinc/66/98/52/539669852.db2.gz OJUGBTMMTSHNNP-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000231791254 539680891 /nfs/dbraw/zinc/68/08/91/539680891.db2.gz VZKCWRSLYSLMMO-NXEZZACHSA-N 2 0 252.324 2.647 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)C[NH+](C)C ZINC000666139709 539683849 /nfs/dbraw/zinc/68/38/49/539683849.db2.gz ZBKPPSMIOTUMMK-TZMCWYRMSA-N 2 0 280.843 2.985 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000414064491 233157359 /nfs/dbraw/zinc/15/73/59/233157359.db2.gz DYEPEAOZMWEPCK-YCPHGPKFSA-N 2 0 276.424 2.761 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000591578262 349032041 /nfs/dbraw/zinc/03/20/41/349032041.db2.gz IHUYSGHIFSYNFP-CVEARBPZSA-N 2 0 290.407 2.656 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc2n(n1)CCC2 ZINC000414149423 233179791 /nfs/dbraw/zinc/17/97/91/233179791.db2.gz UOYLSYLGKKIOSF-HNNXBMFYSA-N 2 0 290.455 2.746 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)nc1C ZINC000414171483 233185829 /nfs/dbraw/zinc/18/58/29/233185829.db2.gz UZFSGZVOQGZYIW-ZACQAIPSSA-N 2 0 273.424 2.661 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(CO)c1 ZINC000414192142 233192079 /nfs/dbraw/zinc/19/20/79/233192079.db2.gz SVERWLILFMHNHB-LSDHHAIUSA-N 2 0 276.424 2.561 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000414200987 233194868 /nfs/dbraw/zinc/19/48/68/233194868.db2.gz XZFGSCYZGZVNRP-KBPBESRZSA-N 2 0 290.407 2.798 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000592524758 349133403 /nfs/dbraw/zinc/13/34/03/349133403.db2.gz IUDQLMLAOQEEST-CVEARBPZSA-N 2 0 290.476 2.817 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592524004 349133614 /nfs/dbraw/zinc/13/36/14/349133614.db2.gz BZQWYCGZAUOHBY-LTIDMASMSA-N 2 0 290.476 2.815 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2cn1 ZINC000300290274 539727174 /nfs/dbraw/zinc/72/71/74/539727174.db2.gz WNEIBWOCPBFCRQ-MSOLQXFVSA-N 2 0 281.403 2.951 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C(=O)OC)cc1 ZINC000593318145 349246762 /nfs/dbraw/zinc/24/67/62/349246762.db2.gz AAZLXHZLLCYFGO-HNNXBMFYSA-N 2 0 290.407 2.643 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000594042466 349360605 /nfs/dbraw/zinc/36/06/05/349360605.db2.gz FERRFXVCUXNCKI-INIZCTEOSA-N 2 0 298.471 2.818 20 0 CFADRP CC1(C)CCC[C@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668739649 539743561 /nfs/dbraw/zinc/74/35/61/539743561.db2.gz OCSJDMIDXCDDCB-DOTOQJQBSA-N 2 0 294.483 2.734 20 0 CFADRP CCSCC[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000597192006 350049713 /nfs/dbraw/zinc/04/97/13/350049713.db2.gz OHCNBGPIDMYUPU-UHFFFAOYSA-N 2 0 293.480 2.636 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@]2(C)C(=O)OCC)CC1 ZINC000597244200 350070914 /nfs/dbraw/zinc/07/09/14/350070914.db2.gz ZMXSHJBGNOCUJY-RDJZCZTQSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000090720974 180032454 /nfs/dbraw/zinc/03/24/54/180032454.db2.gz BAYJCRDPEXRCTP-BBRMVZONSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414659544 233317687 /nfs/dbraw/zinc/31/76/87/233317687.db2.gz NHIODXMZHAMWMF-BFYDXBDKSA-N 2 0 260.425 2.924 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414674657 233322407 /nfs/dbraw/zinc/32/24/07/233322407.db2.gz DYRXLMWFMNKLPZ-HOTGVXAUSA-N 2 0 276.424 2.694 20 0 CFADRP COCC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677719 233322700 /nfs/dbraw/zinc/32/27/00/233322700.db2.gz JIJVOPMEAFBBOD-KGLIPLIRSA-N 2 0 282.453 2.585 20 0 CFADRP CC[C@@]1(C)CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000399290199 539768461 /nfs/dbraw/zinc/76/84/61/539768461.db2.gz AKYFQYRSJKCMEW-KRWDZBQOSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)C(C)(C)CN2CCCCCC2)CC[NH2+]1 ZINC000414747425 233341984 /nfs/dbraw/zinc/34/19/84/233341984.db2.gz SANBZLOYFYGMKH-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC[NH2+]1 ZINC000414742328 233342068 /nfs/dbraw/zinc/34/20/68/233342068.db2.gz LYOXTMHIOKAMEE-HLLBOEOZSA-N 2 0 298.434 2.671 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000271332006 191078705 /nfs/dbraw/zinc/07/87/05/191078705.db2.gz VYINLSHEWRBONU-CVEARBPZSA-N 2 0 288.435 2.969 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000414793708 233354027 /nfs/dbraw/zinc/35/40/27/233354027.db2.gz DUGSFKBDYSXSGD-HZPDHXFCSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414798422 233355923 /nfs/dbraw/zinc/35/59/23/233355923.db2.gz QLLPBFVRYXGFEH-DOMZBBRYSA-N 2 0 258.365 2.958 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414802757 233357313 /nfs/dbraw/zinc/35/73/13/233357313.db2.gz VWTDLNCOYDVUBS-FUHWJXTLSA-N 2 0 281.403 2.966 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771893 233346923 /nfs/dbraw/zinc/34/69/23/233346923.db2.gz AQLGLGFWPFZPHQ-DLBZAZTESA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414777990 233347763 /nfs/dbraw/zinc/34/77/63/233347763.db2.gz ISYMPVBSFBFOSV-ROUUACIJSA-N 2 0 287.451 2.644 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000414792332 233352793 /nfs/dbraw/zinc/35/27/93/233352793.db2.gz CDHGXVUBFJXLAG-TVQRCGJNSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414792678 233353422 /nfs/dbraw/zinc/35/34/22/233353422.db2.gz CQTQHSBMPUZPFH-PSASIEDQSA-N 2 0 293.358 2.769 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414844018 233376313 /nfs/dbraw/zinc/37/63/13/233376313.db2.gz DCTVPPQPMWCYDD-INIZCTEOSA-N 2 0 298.434 2.660 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CC1CCOCC1 ZINC000414810660 233361521 /nfs/dbraw/zinc/36/15/21/233361521.db2.gz VMGRECHJQXZPGP-NUEKZKHPSA-N 2 0 268.445 2.546 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414813363 233361923 /nfs/dbraw/zinc/36/19/23/233361923.db2.gz YFKRXMZNEBDLMY-ZYHUDNBSSA-N 2 0 288.313 2.644 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414812583 233362411 /nfs/dbraw/zinc/36/24/11/233362411.db2.gz XMCKGEQJFKZABL-WFASDCNBSA-N 2 0 294.826 2.882 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000414811816 233362500 /nfs/dbraw/zinc/36/25/00/233362500.db2.gz WQOPTAYCCHQNAX-OSAQELSMSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000414815396 233362855 /nfs/dbraw/zinc/36/28/55/233362855.db2.gz XLDYRMGHMBMVGJ-ZDUSSCGKSA-N 2 0 298.386 2.767 20 0 CFADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])c2)cn1 ZINC000414815053 233363173 /nfs/dbraw/zinc/36/31/73/233363173.db2.gz ZVKJEQGCZLBUHO-SJLPKXTDSA-N 2 0 298.434 2.694 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000414823388 233366869 /nfs/dbraw/zinc/36/68/69/233366869.db2.gz DDGYGDDKIARFRU-KMOQFTEPSA-N 2 0 266.335 2.567 20 0 CFADRP c1ccc(CSCC[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414825522 233368105 /nfs/dbraw/zinc/36/81/05/233368105.db2.gz CLCWRITUGPXFPS-AWEZNQCLSA-N 2 0 264.438 2.509 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000414826699 233368161 /nfs/dbraw/zinc/36/81/61/233368161.db2.gz GAVRLADYKJXTGG-RYRKJORJSA-N 3 0 293.499 2.619 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414832694 233371730 /nfs/dbraw/zinc/37/17/30/233371730.db2.gz OPCBCMJHQPLFOB-HOCLYGCPSA-N 2 0 276.424 2.606 20 0 CFADRP c1nc(C2CCC2)sc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414845834 233375664 /nfs/dbraw/zinc/37/56/64/233375664.db2.gz GIBOBFNDMXPOJD-GFCCVEGCSA-N 2 0 279.453 2.890 20 0 CFADRP c1nc(C2CCC2)sc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414845838 233375724 /nfs/dbraw/zinc/37/57/24/233375724.db2.gz GIBOBFNDMXPOJD-LBPRGKRZSA-N 2 0 279.453 2.890 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414871556 233384824 /nfs/dbraw/zinc/38/48/24/233384824.db2.gz DDGPZPUVUGIMIV-SECBINFHSA-N 2 0 267.423 2.556 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC1([NH3+])CCC1 ZINC000414883470 233387528 /nfs/dbraw/zinc/38/75/28/233387528.db2.gz UZBXKEYMNKSDMA-GFCCVEGCSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414880019 233388185 /nfs/dbraw/zinc/38/81/85/233388185.db2.gz QGVUZMAWHIYMKF-HZPDHXFCSA-N 2 0 258.409 2.968 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414884655 233389110 /nfs/dbraw/zinc/38/91/10/233389110.db2.gz VZMGAIFUBJFXRJ-GHMZBOCLSA-N 2 0 274.330 2.821 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000414892447 233390144 /nfs/dbraw/zinc/39/01/44/233390144.db2.gz PWFWOLDFDHLSGF-BRWVUGGUSA-N 2 0 258.409 2.725 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414899452 233392640 /nfs/dbraw/zinc/39/26/40/233392640.db2.gz CJZCXGAIMDAQJB-IXDOHACOSA-N 2 0 258.409 2.597 20 0 CFADRP FC(F)Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414898936 233392876 /nfs/dbraw/zinc/39/28/76/233392876.db2.gz AZIZNTRIFQJKML-GFCCVEGCSA-N 2 0 270.323 2.520 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414919905 233399126 /nfs/dbraw/zinc/39/91/26/233399126.db2.gz WBDRNPRIERYIMM-BNOWGMLFSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000414910957 233396952 /nfs/dbraw/zinc/39/69/52/233396952.db2.gz SXXJIDWVFOSNTP-CQSZACIVSA-N 2 0 252.789 2.819 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414911467 233397258 /nfs/dbraw/zinc/39/72/58/233397258.db2.gz UBVWHMPVHLVFBL-HNNXBMFYSA-N 2 0 260.425 2.905 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414911517 233397640 /nfs/dbraw/zinc/39/76/40/233397640.db2.gz UHZAIOYJKPVKLK-UHFFFAOYSA-N 2 0 282.815 2.828 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1F ZINC000414849043 233377326 /nfs/dbraw/zinc/37/73/26/233377326.db2.gz HCBHBQLFUDOXMR-JSGCOSHPSA-N 2 0 250.361 2.612 20 0 CFADRP c1ccc(OCC2CC2)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414851280 233378628 /nfs/dbraw/zinc/37/86/28/233378628.db2.gz OFNLNRLTYALLNV-HNNXBMFYSA-N 2 0 288.435 2.955 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCc2ccsc2)CC[NH2+]CC1 ZINC000414968364 233419766 /nfs/dbraw/zinc/41/97/66/233419766.db2.gz FMCFNOQACBIEKX-CQSZACIVSA-N 2 0 296.480 2.675 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000414921728 233399895 /nfs/dbraw/zinc/39/98/95/233399895.db2.gz FSUZJBDJBZOQIB-NEPJUHHUSA-N 2 0 256.752 2.839 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043272 180311290 /nfs/dbraw/zinc/31/12/90/180311290.db2.gz HHAQBRSDVFBJIB-ROUUACIJSA-N 2 0 288.435 2.749 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415016135 233437144 /nfs/dbraw/zinc/43/71/44/233437144.db2.gz ZSWCUJRANOQLLE-XLAORIBOSA-N 2 0 270.420 2.768 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966300 350351228 /nfs/dbraw/zinc/35/12/28/350351228.db2.gz USGITUXQMHZITA-QWHCGFSZSA-N 2 0 258.475 2.981 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043301 180310798 /nfs/dbraw/zinc/31/07/98/180310798.db2.gz KHHRIEQFFSUWAK-KGLIPLIRSA-N 2 0 264.438 2.973 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000415050801 233447754 /nfs/dbraw/zinc/44/77/54/233447754.db2.gz YTYYNWQVVJMVEU-PWSUYJOCSA-N 2 0 270.323 2.505 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1F ZINC000415103434 233467823 /nfs/dbraw/zinc/46/78/23/233467823.db2.gz KGGQLLRBCDHPGH-UHFFFAOYSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000092345931 180366742 /nfs/dbraw/zinc/36/67/42/180366742.db2.gz GXHKLQRFXSWHQD-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP CCOC(=O)[C@@H](C)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660907 350475285 /nfs/dbraw/zinc/47/52/85/350475285.db2.gz PWBWHWQSQDKQFG-CQSZACIVSA-N 2 0 292.423 2.522 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000110644436 186309011 /nfs/dbraw/zinc/30/90/11/186309011.db2.gz NHSMPJNLPPTNBP-LLVKDONJSA-N 2 0 252.789 2.899 20 0 CFADRP CCOc1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000110645351 186309063 /nfs/dbraw/zinc/30/90/63/186309063.db2.gz UYEDGXMJJNOYPK-CYBMUJFWSA-N 2 0 262.397 2.645 20 0 CFADRP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876820 351054539 /nfs/dbraw/zinc/05/45/39/351054539.db2.gz BOUVNRVZYALNQF-AWEZNQCLSA-N 2 0 296.455 2.524 20 0 CFADRP c1ccc2cc(CC[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000603932762 351192866 /nfs/dbraw/zinc/19/28/66/351192866.db2.gz ALCNIOSMQDYHSZ-QZTJIDSGSA-N 2 0 266.388 2.534 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000607358137 351331798 /nfs/dbraw/zinc/33/17/98/351331798.db2.gz CPVQXBIPFMPTIG-KRWDZBQOSA-N 2 0 290.451 2.956 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCCC(=O)OC(C)(C)C)CC1 ZINC000611394976 351682631 /nfs/dbraw/zinc/68/26/31/351682631.db2.gz ADRBELINLOQUBX-UHFFFAOYSA-N 2 0 284.444 2.572 20 0 CFADRP C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000611367684 351675604 /nfs/dbraw/zinc/67/56/04/351675604.db2.gz QFGRVEVXIRFZFV-AWEZNQCLSA-N 2 0 298.471 2.818 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)[C@@H]2CCOC2)CC1 ZINC000122775317 187050868 /nfs/dbraw/zinc/05/08/68/187050868.db2.gz GDVWXXSYPCUTGN-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)[C@@H]2CCOC2)CC1 ZINC000122775556 187051071 /nfs/dbraw/zinc/05/10/71/187051071.db2.gz GDVWXXSYPCUTGN-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCc2ccccn2)CC1 ZINC000123616640 187101177 /nfs/dbraw/zinc/10/11/77/187101177.db2.gz RNSURXIUSOHDOL-UHFFFAOYSA-N 2 0 275.440 2.678 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000123637916 187102273 /nfs/dbraw/zinc/10/22/73/187102273.db2.gz FBFBTXYTOCDQRN-ZYHUDNBSSA-N 2 0 272.314 2.875 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000291923444 198106540 /nfs/dbraw/zinc/10/65/40/198106540.db2.gz LIMLPXDRBYFDLY-UHFFFAOYSA-N 2 0 260.425 2.997 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000123911206 187114522 /nfs/dbraw/zinc/11/45/22/187114522.db2.gz RNAXLYCTNHGMII-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CCc1cnccc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291938391 198110942 /nfs/dbraw/zinc/11/09/42/198110942.db2.gz ALDRVIRIVZCBMV-MRXNPFEDSA-N 2 0 293.386 2.795 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000271485019 191165371 /nfs/dbraw/zinc/16/53/71/191165371.db2.gz JMODAYHIMHYIBR-WBAXXEDZSA-N 2 0 288.435 2.715 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271485412 191167194 /nfs/dbraw/zinc/16/71/94/191167194.db2.gz KXZOKCKOIHBJBS-ZFWWWQNUSA-N 2 0 294.464 2.783 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271549503 191207444 /nfs/dbraw/zinc/20/74/44/191207444.db2.gz VKTVVJFDYBILRT-DZGCQCFKSA-N 2 0 294.464 2.783 20 0 CFADRP c1[nH]nc2cc(C[NH2+]CCC[NH+]3CCCCC3)ccc12 ZINC000134522511 187757227 /nfs/dbraw/zinc/75/72/27/187757227.db2.gz WMVNRVSRHMSDCK-UHFFFAOYSA-N 2 0 272.396 2.529 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292196078 198198861 /nfs/dbraw/zinc/19/88/61/198198861.db2.gz RXEKUMVJMBJOII-KRWDZBQOSA-N 2 0 258.409 2.831 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000619770928 353065367 /nfs/dbraw/zinc/06/53/67/353065367.db2.gz AEVVOGGKCSVQTD-INIZCTEOSA-N 2 0 284.407 2.569 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000153142865 539966700 /nfs/dbraw/zinc/96/67/00/539966700.db2.gz CWYKTYISVINREW-HYVNUMGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000153142670 539966911 /nfs/dbraw/zinc/96/69/11/539966911.db2.gz CWYKTYISVINREW-PVAVHDDUSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000336844538 295854510 /nfs/dbraw/zinc/85/45/10/295854510.db2.gz ZWHRUXDWTZSMDZ-RDJZCZTQSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000152237769 188004304 /nfs/dbraw/zinc/00/43/04/188004304.db2.gz NKJYZCDQIZUZET-BFYDXBDKSA-N 2 0 298.434 2.691 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000423461149 295855239 /nfs/dbraw/zinc/85/52/39/295855239.db2.gz SOCHFGLOHBHPDK-JSGCOSHPSA-N 2 0 264.417 2.748 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000154322874 188136074 /nfs/dbraw/zinc/13/60/74/188136074.db2.gz QRQLPRKLKHEUIG-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000154928395 188171249 /nfs/dbraw/zinc/17/12/49/188171249.db2.gz UVUUCODEQCOPDU-WBVHZDCISA-N 2 0 289.467 2.590 20 0 CFADRP Cc1cnccc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000295165677 199383743 /nfs/dbraw/zinc/38/37/43/199383743.db2.gz KYMCPQJRESSPPJ-OAHLLOKOSA-N 2 0 263.429 2.846 20 0 CFADRP Clc1cccc(CCCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000621248880 353307779 /nfs/dbraw/zinc/30/77/79/353307779.db2.gz BFAFUVRVHWQDNF-GJZGRUSLSA-N 2 0 278.827 2.814 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1 ZINC000434765491 540001316 /nfs/dbraw/zinc/00/13/16/540001316.db2.gz MMRJULCLRVDPSN-HZPDHXFCSA-N 2 0 280.456 2.534 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000434765490 540001345 /nfs/dbraw/zinc/00/13/45/540001345.db2.gz MMRJULCLRVDPSN-HOTGVXAUSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000621776867 353422556 /nfs/dbraw/zinc/42/25/56/353422556.db2.gz YMMQPKFXRFHPPQ-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000621784711 353426218 /nfs/dbraw/zinc/42/62/18/353426218.db2.gz UCIJHPRNKOZXPY-XQQFMLRXSA-N 2 0 258.356 2.625 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000622005183 353464709 /nfs/dbraw/zinc/46/47/09/353464709.db2.gz ZWLOQYKRYXZYSH-UKRRQHHQSA-N 2 0 291.439 2.527 20 0 CFADRP CC1CC(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000622044760 353469077 /nfs/dbraw/zinc/46/90/77/353469077.db2.gz RNNHDIJLGKMDSK-TXVKYFBMSA-N 2 0 286.419 2.878 20 0 CFADRP CC1CC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000622044712 353469223 /nfs/dbraw/zinc/46/92/23/353469223.db2.gz PVJDJMPDGQNLCU-UIEKQHFFSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1nc2ccc(C[NH2+]CCc3cncn3C)cc2s1 ZINC000623085804 353584893 /nfs/dbraw/zinc/58/48/93/353584893.db2.gz GEGIALMRGXUXFL-UHFFFAOYSA-N 2 0 286.404 2.671 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623353472 353622771 /nfs/dbraw/zinc/62/27/71/353622771.db2.gz MXPCDIMSGJORRX-CVEARBPZSA-N 2 0 281.488 2.569 20 0 CFADRP CCCOc1ncccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623376745 353629112 /nfs/dbraw/zinc/62/91/12/353629112.db2.gz AMPXIWIHAAJDNJ-OAHLLOKOSA-N 2 0 291.439 2.833 20 0 CFADRP C[N@H+](CCN[C@@H]1CC[NH+](C)C(C)(C)C1)C1CCCCC1 ZINC000623378572 353629836 /nfs/dbraw/zinc/62/98/36/353629836.db2.gz HHQUYCIWJPDZRT-OAHLLOKOSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)CC1(C)C ZINC000623386728 353631894 /nfs/dbraw/zinc/63/18/94/353631894.db2.gz AEXZTFWEKIKSJT-OAHLLOKOSA-N 2 0 282.378 2.970 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCOC2CCCC2)CC1(C)C ZINC000623386202 353632184 /nfs/dbraw/zinc/63/21/84/353632184.db2.gz NJMLSSBMZDSDHY-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)CC1(C)C ZINC000623408174 353636393 /nfs/dbraw/zinc/63/63/93/353636393.db2.gz LXRWPFIDVHIBSL-CYBMUJFWSA-N 2 0 298.377 2.806 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C12CCC2 ZINC000623430199 353642159 /nfs/dbraw/zinc/64/21/59/353642159.db2.gz GCQHQJRQCSOCDP-RRFJBIMHSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)CC1(C)C ZINC000623440503 353645762 /nfs/dbraw/zinc/64/57/62/353645762.db2.gz YXBYIJASEDDNPK-MRXNPFEDSA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)CC1(C)C ZINC000623447807 353647070 /nfs/dbraw/zinc/64/70/70/353647070.db2.gz CIVKKSQOQRIJFR-LBPRGKRZSA-N 2 0 297.830 2.576 20 0 CFADRP CC1CC[NH+](CCC[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623342602 353618649 /nfs/dbraw/zinc/61/86/49/353618649.db2.gz GFLMNLVJVUTHIT-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1(C)C ZINC000623341251 353618998 /nfs/dbraw/zinc/61/89/98/353618998.db2.gz UCLREZQRSIRAQT-ZDUSSCGKSA-N 2 0 281.488 2.758 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)CC1(C)C ZINC000623523083 353662690 /nfs/dbraw/zinc/66/26/90/353662690.db2.gz JFSKCKLZTYSDPQ-SNVBAGLBSA-N 2 0 264.335 2.791 20 0 CFADRP CCOc1cc(CNC[C@H](C)C[NH+](C)C)c(F)cc1OC ZINC000623530157 353664769 /nfs/dbraw/zinc/66/47/69/353664769.db2.gz PBDSJHFIRIQWCL-LBPRGKRZSA-N 2 0 298.402 2.520 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000623533127 353666108 /nfs/dbraw/zinc/66/61/08/353666108.db2.gz UEXZVPDSSGCPDJ-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCC2)ccn1 ZINC000623533466 353666123 /nfs/dbraw/zinc/66/61/23/353666123.db2.gz BBZVYDPGXOPVFK-UHFFFAOYSA-N 2 0 261.413 2.746 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623544691 353668192 /nfs/dbraw/zinc/66/81/92/353668192.db2.gz GBMSAHQXJROKJN-RCBQFDQVSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)CC1(C)C ZINC000623552529 353669861 /nfs/dbraw/zinc/66/98/61/353669861.db2.gz JWWPLRPSFDOLBJ-KGLIPLIRSA-N 2 0 282.497 2.982 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623573492 353675347 /nfs/dbraw/zinc/67/53/47/353675347.db2.gz LABOTIISCLFWRO-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623573491 353675356 /nfs/dbraw/zinc/67/53/56/353675356.db2.gz LABOTIISCLFWRO-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574517 353676116 /nfs/dbraw/zinc/67/61/16/353676116.db2.gz QHAIZFQESILLSJ-HYVNUMGLSA-N 2 0 290.451 2.613 20 0 CFADRP CCc1nc(CNC[C@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655701 353696812 /nfs/dbraw/zinc/69/68/12/353696812.db2.gz CDCANQAYGGDRGN-GFCCVEGCSA-N 2 0 267.442 2.527 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2cc3ccccc3[nH]c2=O)C1 ZINC000623656073 353696875 /nfs/dbraw/zinc/69/68/75/353696875.db2.gz MJTNSDSZDOJADO-AWEZNQCLSA-N 2 0 299.418 2.762 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1(C)C ZINC000623589717 353679810 /nfs/dbraw/zinc/67/98/10/353679810.db2.gz VFROGODGHGXPMB-KBXIAJHMSA-N 2 0 250.430 2.885 20 0 CFADRP CCc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)o1 ZINC000623655681 353696970 /nfs/dbraw/zinc/69/69/70/353696970.db2.gz BUJFPCAASJVKSG-CYBMUJFWSA-N 2 0 250.386 2.664 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000623607502 353684242 /nfs/dbraw/zinc/68/42/42/353684242.db2.gz HXZLGLWQKGQSST-HRCADAONSA-N 2 0 286.419 2.515 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623484771 353654507 /nfs/dbraw/zinc/65/45/07/353654507.db2.gz BESBJDGKBTUCHH-XJFOESAGSA-N 2 0 268.445 2.508 20 0 CFADRP C[C@@H](CC[NH2+]Cc1cccc2n[nH]cc21)[NH+]1CCCCC1 ZINC000623490489 353656028 /nfs/dbraw/zinc/65/60/28/353656028.db2.gz MHCWKKFHCCZBJT-AWEZNQCLSA-N 2 0 286.423 2.917 20 0 CFADRP C[C@@H](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000623490225 353656227 /nfs/dbraw/zinc/65/62/27/353656227.db2.gz BKDLNMVEJFLPCB-HOTGVXAUSA-N 2 0 281.488 2.713 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cs1 ZINC000623656980 353697798 /nfs/dbraw/zinc/69/77/98/353697798.db2.gz HEJSGUYSMJFBKK-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H]2C[C@H]2C1 ZINC000623741776 353716102 /nfs/dbraw/zinc/71/61/02/353716102.db2.gz WXLKAGYIBYEILG-HALDLXJZSA-N 2 0 282.391 2.793 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623887574 353749053 /nfs/dbraw/zinc/74/90/53/353749053.db2.gz GDCMRHHOMBTSEY-ZDUSSCGKSA-N 2 0 279.453 2.842 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623957226 353769135 /nfs/dbraw/zinc/76/91/35/353769135.db2.gz BAEPDIGWNQAILI-LBPRGKRZSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCCO1 ZINC000624017005 353786132 /nfs/dbraw/zinc/78/61/32/353786132.db2.gz MKLKOIBREUHFCQ-USXIJHARSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000623970117 353771695 /nfs/dbraw/zinc/77/16/95/353771695.db2.gz FAWVDDRWQPWITN-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000623998779 353780054 /nfs/dbraw/zinc/78/00/54/353780054.db2.gz AGHVFBSBUPXGAL-OLZOCXBDSA-N 2 0 267.442 2.834 20 0 CFADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCCO1 ZINC000623853492 353739957 /nfs/dbraw/zinc/73/99/57/353739957.db2.gz ZYXZRYGYZFAMSH-JSGCOSHPSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000675766294 540009783 /nfs/dbraw/zinc/00/97/83/540009783.db2.gz IWKXFTVYIJIVHJ-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CCCCO1 ZINC000623879092 353747021 /nfs/dbraw/zinc/74/70/21/353747021.db2.gz XYGGBMRNCGVLBG-BBRMVZONSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CO2 ZINC000624072085 353797607 /nfs/dbraw/zinc/79/76/07/353797607.db2.gz TYDGWQKYWSXQDJ-HOCLYGCPSA-N 2 0 288.435 2.618 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000271714253 191287929 /nfs/dbraw/zinc/28/79/29/191287929.db2.gz VNTPYUJIFVGNON-DZGCQCFKSA-N 2 0 262.397 2.830 20 0 CFADRP C([NH2+][C@H]1COC2(CCC2)C1)[C@@H]1CCN1C1CCCCC1 ZINC000624077885 353799836 /nfs/dbraw/zinc/79/98/36/353799836.db2.gz GHTPBIKPXVDPAF-ZBFHGGJFSA-N 2 0 278.440 2.695 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)CCC1 ZINC000624077917 353800109 /nfs/dbraw/zinc/80/01/09/353800109.db2.gz HMOMVJDTOGITFE-ZBFHGGJFSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000624112925 353808920 /nfs/dbraw/zinc/80/89/20/353808920.db2.gz PQPAJAZQEMZCHW-HUUCEWRRSA-N 2 0 275.440 2.740 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000624120174 353810483 /nfs/dbraw/zinc/81/04/83/353810483.db2.gz SYXMYAHSXDHLAC-KBPBESRZSA-N 2 0 290.407 2.798 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000624121977 353810954 /nfs/dbraw/zinc/81/09/54/353810954.db2.gz HEWGBAFSPAGQFE-CVEARBPZSA-N 2 0 292.471 2.717 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000624120114 353811083 /nfs/dbraw/zinc/81/10/83/353811083.db2.gz RPJOEAQCWRTQHA-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000624123588 353812886 /nfs/dbraw/zinc/81/28/86/353812886.db2.gz OONNVIZRUJJJGE-WBVHZDCISA-N 2 0 287.451 2.651 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000624123313 353812964 /nfs/dbraw/zinc/81/29/64/353812964.db2.gz JPWJKQGJYNRFEA-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000624199858 353832305 /nfs/dbraw/zinc/83/23/05/353832305.db2.gz ZNEXHPALXFLCOX-MIFYACCESA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000624199686 353832601 /nfs/dbraw/zinc/83/26/01/353832601.db2.gz VNJMEXCDJMICFE-MIFYACCESA-N 2 0 250.430 2.885 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000624271899 353852734 /nfs/dbraw/zinc/85/27/34/353852734.db2.gz LHQCMZKYOGVUGR-BFHYXJOUSA-N 2 0 268.445 2.652 20 0 CFADRP CCO[C@@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CC1 ZINC000625134282 353981780 /nfs/dbraw/zinc/98/17/80/353981780.db2.gz CLZZTDHIGGHKSD-KRWDZBQOSA-N 2 0 282.472 2.854 20 0 CFADRP CCO[C@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000625279338 354010996 /nfs/dbraw/zinc/01/09/96/354010996.db2.gz BTWGSFHEFIKNOE-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[C@H](C)CCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000625276226 354011214 /nfs/dbraw/zinc/01/12/14/354011214.db2.gz SFNPWFFXDQQVHR-KRWDZBQOSA-N 2 0 283.504 2.772 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C2CC2)[C@H](C)C1 ZINC000675779596 540014440 /nfs/dbraw/zinc/01/44/40/540014440.db2.gz XXZCCFVARXIOES-UXLLHSPISA-N 2 0 282.472 2.759 20 0 CFADRP CCC(O)(CC)C[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000626110735 354196450 /nfs/dbraw/zinc/19/64/50/354196450.db2.gz PNVBJNKYRVTHTA-UHFFFAOYSA-N 2 0 287.407 2.855 20 0 CFADRP Cc1nc(CN2CC[NH+](CCC(C)(C)C)CC2)[nH]c1C ZINC000628150369 354448980 /nfs/dbraw/zinc/44/89/80/354448980.db2.gz PHCTVLNYVKYYTG-UHFFFAOYSA-N 2 0 278.444 2.580 20 0 CFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000124969197 540027080 /nfs/dbraw/zinc/02/70/80/540027080.db2.gz ZAVHQTWJZZCPHW-CYBMUJFWSA-N 2 0 259.397 2.686 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@]3(C)CCCS3)CC[C@H]21 ZINC000628190675 354469863 /nfs/dbraw/zinc/46/98/63/354469863.db2.gz MTNXABFDOJVCFX-RBSFLKMASA-N 2 0 268.470 2.688 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@]3(C)CCCS3)CC[C@@H]21 ZINC000628190674 354469994 /nfs/dbraw/zinc/46/99/94/354469994.db2.gz MTNXABFDOJVCFX-QLFBSQMISA-N 2 0 268.470 2.688 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000628202802 354475278 /nfs/dbraw/zinc/47/52/78/354475278.db2.gz HYSCDIZZRYKIBR-ZDUSSCGKSA-N 2 0 265.401 2.727 20 0 CFADRP Cc1c[nH]c(CN2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC000628130245 354441099 /nfs/dbraw/zinc/44/10/99/354441099.db2.gz PYVFIKVYEDHOHM-UHFFFAOYSA-N 2 0 298.434 2.734 20 0 CFADRP Cc1nc(C)c(C[NH2+]C2CCC(C[NH+](C)C)CC2)o1 ZINC000628229897 354488951 /nfs/dbraw/zinc/48/89/51/354488951.db2.gz LSDWVQUTHINIRG-UHFFFAOYSA-N 2 0 265.401 2.501 20 0 CFADRP C[N@@H+]1CC[C@H](N(CCC[NH3+])c2ccccc2F)CC1(C)C ZINC000628237756 354495528 /nfs/dbraw/zinc/49/55/28/354495528.db2.gz YPUXHGHPKQZFIE-AWEZNQCLSA-N 2 0 293.430 2.854 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000628261027 354508537 /nfs/dbraw/zinc/50/85/37/354508537.db2.gz FEUIJDHDXCBDAA-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@]1(C)CCCS1 ZINC000628259449 354508711 /nfs/dbraw/zinc/50/87/11/354508711.db2.gz VGHUGTUXEASKMS-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000628279007 354516487 /nfs/dbraw/zinc/51/64/87/354516487.db2.gz PYDCUHDGNNALOQ-MSOLQXFVSA-N 2 0 295.515 2.772 20 0 CFADRP CCC1(N2CCOCC2)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000628476026 354599430 /nfs/dbraw/zinc/59/94/30/354599430.db2.gz WZFVWJWJXIRVAG-UHFFFAOYSA-N 2 0 292.423 2.665 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388160 354799328 /nfs/dbraw/zinc/79/93/28/354799328.db2.gz NVGWFRIFMFDJCH-OAHLLOKOSA-N 2 0 290.451 2.840 20 0 CFADRP C[C@H](C[NH2+]CC1([NH3+])CCOCC1)CC1CCCCC1 ZINC000629389752 354800271 /nfs/dbraw/zinc/80/02/71/354800271.db2.gz USRDFAKESVFANQ-AWEZNQCLSA-N 2 0 268.445 2.690 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000629389809 354800304 /nfs/dbraw/zinc/80/03/04/354800304.db2.gz AHZHWQYUGKRXFK-OWLYRPNTSA-N 2 0 293.499 2.760 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629389480 354800476 /nfs/dbraw/zinc/80/04/76/354800476.db2.gz YMMGVAHJAFRGEG-DLBZAZTESA-N 2 0 288.435 2.729 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389445 354800537 /nfs/dbraw/zinc/80/05/37/354800537.db2.gz XQUOCGVFAVVMJM-AWEZNQCLSA-N 2 0 268.445 2.833 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000629529514 354833061 /nfs/dbraw/zinc/83/30/61/354833061.db2.gz FVMKWJQDCTWFDI-MRXNPFEDSA-N 2 0 280.412 2.645 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000629402841 354804285 /nfs/dbraw/zinc/80/42/85/354804285.db2.gz FVNHFQVEBNEACD-ROUUACIJSA-N 2 0 290.451 2.929 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000629405832 354804457 /nfs/dbraw/zinc/80/44/57/354804457.db2.gz UQXWRIFNTOBGED-CVEARBPZSA-N 2 0 296.842 2.802 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000629529046 354833173 /nfs/dbraw/zinc/83/31/73/354833173.db2.gz QHRNSFYQSRVMSE-MRXNPFEDSA-N 2 0 264.413 2.599 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629514395 354824731 /nfs/dbraw/zinc/82/47/31/354824731.db2.gz YMRPAWFTECSLRU-SNVBAGLBSA-N 2 0 268.788 2.605 20 0 CFADRP CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OCC ZINC000629516144 354825674 /nfs/dbraw/zinc/82/56/74/354825674.db2.gz XTAJIXCAPJNFME-WFASDCNBSA-N 2 0 279.428 2.705 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000629516497 354825780 /nfs/dbraw/zinc/82/57/80/354825780.db2.gz IKJGSOUATQKSPN-KGLIPLIRSA-N 2 0 275.440 2.937 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000629518877 354826874 /nfs/dbraw/zinc/82/68/74/354826874.db2.gz CFUMZNKJONPBPK-OLZOCXBDSA-N 2 0 296.842 2.930 20 0 CFADRP CCCc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521414 354827669 /nfs/dbraw/zinc/82/76/69/354827669.db2.gz PFARZANMYAZREY-CQSZACIVSA-N 2 0 276.424 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H](C)C1CCCCC1 ZINC000629522149 354827895 /nfs/dbraw/zinc/82/78/95/354827895.db2.gz WFNITLOLGDAOGY-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2sccc21 ZINC000629520698 354828028 /nfs/dbraw/zinc/82/80/28/354828028.db2.gz LVFCRCZWLAIWFO-WCQYABFASA-N 2 0 280.437 2.784 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc2c(c1)CCCC2 ZINC000629522353 354828834 /nfs/dbraw/zinc/82/88/34/354828834.db2.gz XZMQUBSXEQDRAN-CQSZACIVSA-N 2 0 288.435 2.724 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000629525582 354829744 /nfs/dbraw/zinc/82/97/44/354829744.db2.gz XBLKVYQQMAENFP-OAHLLOKOSA-N 2 0 294.826 2.889 20 0 CFADRP Oc1ccc(Cl)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000629532192 354834226 /nfs/dbraw/zinc/83/42/26/354834226.db2.gz QATVORBONXSFMD-UHFFFAOYSA-N 2 0 280.799 2.621 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000629529887 354832699 /nfs/dbraw/zinc/83/26/99/354832699.db2.gz PKPABKVEWAPPAZ-HNNXBMFYSA-N 2 0 282.815 2.617 20 0 CFADRP COCc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)o1 ZINC000629648132 354875606 /nfs/dbraw/zinc/87/56/06/354875606.db2.gz PGFXIEANVVYOSC-LBPRGKRZSA-N 2 0 274.364 2.736 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC[NH2+]1 ZINC000629650373 354876613 /nfs/dbraw/zinc/87/66/13/354876613.db2.gz SQEBGFIIOUSDIC-YVECIDJPSA-N 2 0 260.372 2.598 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532516 354834530 /nfs/dbraw/zinc/83/45/30/354834530.db2.gz FLCYRUGVLHHJTP-IYBDPMFKSA-N 2 0 287.451 2.945 20 0 CFADRP Cc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532420 354834747 /nfs/dbraw/zinc/83/47/47/354834747.db2.gz ZWEZLXWMJCMGPT-IRXDYDNUSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000629534764 354835589 /nfs/dbraw/zinc/83/55/89/354835589.db2.gz AZOSZBWPRUJFCB-BBRMVZONSA-N 2 0 275.440 2.930 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000629537782 354836689 /nfs/dbraw/zinc/83/66/89/354836689.db2.gz KTHWBAAQKVEPBI-HNNXBMFYSA-N 2 0 282.815 2.672 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000629537071 354836914 /nfs/dbraw/zinc/83/69/14/354836914.db2.gz IRUDDODAHHAUCN-HNNXBMFYSA-N 2 0 299.418 2.765 20 0 CFADRP CC(C)[C@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629654132 354878087 /nfs/dbraw/zinc/87/80/87/354878087.db2.gz MPRSIRSCMCNMOP-INIZCTEOSA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+]CCCOCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000629541302 354839767 /nfs/dbraw/zinc/83/97/67/354839767.db2.gz YZPMSWXRAQCGKL-UHFFFAOYSA-N 2 0 268.445 2.835 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629546937 354842440 /nfs/dbraw/zinc/84/24/40/354842440.db2.gz RDQNUTGYLFZTJT-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629547570 354843839 /nfs/dbraw/zinc/84/38/39/354843839.db2.gz BWZMFOYJKGHXHK-UONOGXRCSA-N 2 0 269.392 2.964 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548289 354843860 /nfs/dbraw/zinc/84/38/60/354843860.db2.gz DSIARGCETMHXBX-VHSXEESVSA-N 2 0 250.308 2.579 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629653886 354878376 /nfs/dbraw/zinc/87/83/76/354878376.db2.gz LZYZMXJEELTJMK-AWEZNQCLSA-N 2 0 272.392 2.523 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551537 354844956 /nfs/dbraw/zinc/84/49/56/354844956.db2.gz UZUMDJXEOCASLX-MNOVXSKESA-N 2 0 264.335 2.826 20 0 CFADRP Clc1ccc([C@H]2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000629552997 354846073 /nfs/dbraw/zinc/84/60/73/354846073.db2.gz DRJAATRKXJZAGZ-NWANDNLSSA-N 2 0 264.800 2.928 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000629555902 354847210 /nfs/dbraw/zinc/84/72/10/354847210.db2.gz IBRORMITBLUNDL-MEBBXXQBSA-N 2 0 264.800 2.915 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCCCF)CC[C@@H]1C(F)(F)F ZINC000629564234 354847666 /nfs/dbraw/zinc/84/76/66/354847666.db2.gz SBFZDBROYLSBGN-QWRGUYRKSA-N 2 0 270.314 2.585 20 0 CFADRP Cc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565101 354847797 /nfs/dbraw/zinc/84/77/97/354847797.db2.gz JIBRGUWZUKTFPP-KBPBESRZSA-N 2 0 286.341 2.954 20 0 CFADRP FC1(F)CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000629559585 354848304 /nfs/dbraw/zinc/84/83/04/354848304.db2.gz URIGINJOGXIVKH-UHFFFAOYSA-N 2 0 280.362 2.954 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000629572354 354849354 /nfs/dbraw/zinc/84/93/54/354849354.db2.gz ZYYVVPVLRMPUEA-INIZCTEOSA-N 2 0 278.440 2.841 20 0 CFADRP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629577841 354850560 /nfs/dbraw/zinc/85/05/60/354850560.db2.gz DFUJRYVKEOFIET-CQSZACIVSA-N 2 0 270.804 2.698 20 0 CFADRP C[C@H](c1cccc2ccccc21)[N@H+](C)CCOCC[NH3+] ZINC000629578641 354850671 /nfs/dbraw/zinc/85/06/71/354850671.db2.gz KHESACHLPHRRNK-CQSZACIVSA-N 2 0 272.392 2.808 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595190 354855309 /nfs/dbraw/zinc/85/53/09/354855309.db2.gz NOFOQEQPMQVDTN-BNOWGMLFSA-N 2 0 260.372 2.599 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc(CO)c3)cc2)CC1 ZINC000629695253 354897771 /nfs/dbraw/zinc/89/77/71/354897771.db2.gz HTYYYEZWSADPKW-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2cccc3c2C[NH2+]C3)c1 ZINC000629700808 354899925 /nfs/dbraw/zinc/89/99/25/354899925.db2.gz OSQXTKHVXZFMOV-UHFFFAOYSA-N 2 0 282.387 2.897 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2cccc3c2C[NH2+]CC3)c1 ZINC000629700861 354900345 /nfs/dbraw/zinc/90/03/45/354900345.db2.gz PUCMBPXZDVVFIH-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP C[NH+](C)Cc1cc(-c2ccc([C@H]([NH3+])CO)cc2)ccc1F ZINC000629738511 354916399 /nfs/dbraw/zinc/91/63/99/354916399.db2.gz NHAQQFCZZGAYQD-QGZVFWFLSA-N 2 0 288.366 2.546 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000333276292 540072480 /nfs/dbraw/zinc/07/24/80/540072480.db2.gz LMSXYCHKZUKKCO-IOASZLSFSA-N 2 0 259.397 2.793 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000333326864 540075500 /nfs/dbraw/zinc/07/55/00/540075500.db2.gz VLPLBASPZDFMON-KFWWJZLASA-N 2 0 276.428 2.891 20 0 CFADRP [NH3+]CCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000074339248 540066539 /nfs/dbraw/zinc/06/65/39/540066539.db2.gz QFCQYUZHWHMSFF-UHFFFAOYSA-N 2 0 254.377 2.757 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2ccc(SC)cc2)CC[C@@H]1[NH3+] ZINC000647937457 540109078 /nfs/dbraw/zinc/10/90/78/540109078.db2.gz ZYLMNNYXAQUQTP-CJNGLKHVSA-N 2 0 294.464 2.847 20 0 CFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000271838846 191360002 /nfs/dbraw/zinc/36/00/02/191360002.db2.gz GAKMHMWQKIUBNC-DOMZBBRYSA-N 2 0 260.381 2.755 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1)C(C)C ZINC000667895757 540126152 /nfs/dbraw/zinc/12/61/52/540126152.db2.gz ACHLYSTULFGCKG-HZPDHXFCSA-N 2 0 268.445 2.652 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631037303 355258699 /nfs/dbraw/zinc/25/86/99/355258699.db2.gz PTSMVCFYUBYWFM-UHFFFAOYSA-N 2 0 299.418 2.919 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000271883438 191388396 /nfs/dbraw/zinc/38/83/96/191388396.db2.gz QCFHLUGEIPCFPT-QGZVFWFLSA-N 2 0 288.460 2.869 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271889161 191392119 /nfs/dbraw/zinc/39/21/19/191392119.db2.gz RNCDXCVEYHROMI-KRWDZBQOSA-N 2 0 258.409 2.859 20 0 CFADRP O=c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)c[nH]1 ZINC000631071522 355274689 /nfs/dbraw/zinc/27/46/89/355274689.db2.gz NHRLGCTVUCPRQV-UHFFFAOYSA-N 2 0 277.412 2.533 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000271898352 191397186 /nfs/dbraw/zinc/39/71/86/191397186.db2.gz XSMZEDKYLOSVML-KRWDZBQOSA-N 2 0 294.414 2.835 20 0 CFADRP C[NH+](C)CCCNCc1ccc(CC(F)(F)F)cc1 ZINC000631032054 355255893 /nfs/dbraw/zinc/25/58/93/355255893.db2.gz QLFRTOPBMPMJSQ-UHFFFAOYSA-N 2 0 274.330 2.833 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000271855983 191370326 /nfs/dbraw/zinc/37/03/26/191370326.db2.gz USKGGROMWLIYCE-NSCUHMNNSA-N 2 0 260.356 2.690 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000271856790 191371113 /nfs/dbraw/zinc/37/11/13/191371113.db2.gz YLIRVQFGKWDOES-IAGOWNOFSA-N 2 0 276.424 2.574 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271869104 191379724 /nfs/dbraw/zinc/37/97/24/191379724.db2.gz MDMMMNHQLDEKKI-HNNXBMFYSA-N 2 0 258.409 2.859 20 0 CFADRP Cc1scc(C[NH2+]CC2=CC[N@H+](C)CC2)c1C ZINC000631108975 355295279 /nfs/dbraw/zinc/29/52/79/355295279.db2.gz WJPVEYSDBLYTBK-UHFFFAOYSA-N 2 0 250.411 2.716 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109390 355295834 /nfs/dbraw/zinc/29/58/34/355295834.db2.gz DWDXXEIIWNRRAJ-DZGCQCFKSA-N 2 0 289.423 2.530 20 0 CFADRP O=c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c[nH]1 ZINC000631084881 355283147 /nfs/dbraw/zinc/28/31/47/355283147.db2.gz ZOCSFGMSUZDLOT-UHFFFAOYSA-N 2 0 289.423 2.674 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631198645 355346356 /nfs/dbraw/zinc/34/63/56/355346356.db2.gz KCEZTZUEZLEXDW-CALCHBBNSA-N 2 0 290.451 2.505 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631570667 355493153 /nfs/dbraw/zinc/49/31/53/355493153.db2.gz WRKDTCGUYYAOJK-QZTJIDSGSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631577106 355496788 /nfs/dbraw/zinc/49/67/88/355496788.db2.gz GBKFSVFIPLRWRF-QZWWFDLISA-N 2 0 292.467 2.654 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000631564248 355488945 /nfs/dbraw/zinc/48/89/45/355488945.db2.gz GLRIGBFGNFCNQY-QGZVFWFLSA-N 2 0 274.408 2.758 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631661586 355537035 /nfs/dbraw/zinc/53/70/35/355537035.db2.gz ACYBGDYJVSUYOY-HPFXQQBRSA-N 2 0 290.451 2.768 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000336335839 283107239 /nfs/dbraw/zinc/10/72/39/283107239.db2.gz JKSHQDFEONSBFW-IAGOWNOFSA-N 2 0 292.467 2.896 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[NH+]1CCCCC1 ZINC000631617209 355515721 /nfs/dbraw/zinc/51/57/21/355515721.db2.gz MURLPWBLHMVKMI-QAETUUGQSA-N 2 0 292.467 2.798 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631638418 355526796 /nfs/dbraw/zinc/52/67/96/355526796.db2.gz DHTUTEFKCNWEEX-KVULBXGLSA-N 2 0 273.424 2.921 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000631811172 355592963 /nfs/dbraw/zinc/59/29/63/355592963.db2.gz SOEBUIDHTMVUMV-DDBAPUKQSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)n1 ZINC000631827014 355597116 /nfs/dbraw/zinc/59/71/16/355597116.db2.gz CJKIKZRAAVTUQS-WMZOPIPTSA-N 2 0 287.451 2.971 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837952 355601597 /nfs/dbraw/zinc/60/15/97/355601597.db2.gz YHOSVYYTQVDUJS-IUODEOHRSA-N 2 0 261.413 2.540 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)C[C@H]1C[NH3+] ZINC000631839215 355601754 /nfs/dbraw/zinc/60/17/54/355601754.db2.gz BYQUKICMERWUTQ-GDBMZVCRSA-N 2 0 297.402 2.901 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000631842347 355604137 /nfs/dbraw/zinc/60/41/37/355604137.db2.gz ZCCNNTRUXVKFJE-CXAGYDPISA-N 2 0 254.377 2.866 20 0 CFADRP CCC[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CC[NH2+]CC1 ZINC000229366694 540180119 /nfs/dbraw/zinc/18/01/19/540180119.db2.gz WAISSSRWVXHVKE-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229367893 540180177 /nfs/dbraw/zinc/18/01/77/540180177.db2.gz SWOLTYJASNZKHT-CABCVRRESA-N 2 0 266.429 2.682 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000348706768 283132612 /nfs/dbraw/zinc/13/26/12/283132612.db2.gz UVUMBNVZNKLSQK-JCXRDGCHSA-N 2 0 276.346 2.790 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000094472923 291082804 /nfs/dbraw/zinc/08/28/04/291082804.db2.gz ZWEGNPOPDAELQI-WCQYABFASA-N 2 0 256.459 2.733 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000272984802 192008496 /nfs/dbraw/zinc/00/84/96/192008496.db2.gz VKZLSVXZOTVCMC-UHFFFAOYSA-N 2 0 274.383 2.923 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](CC[NH+](C)C)OCC)c1cccnc1 ZINC000273575682 192210316 /nfs/dbraw/zinc/21/03/16/192210316.db2.gz LSYIOCQTVCTOIT-IRXDYDNUSA-N 2 0 293.455 2.869 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2s1 ZINC000334849673 540253791 /nfs/dbraw/zinc/25/37/91/540253791.db2.gz YEZHZKSRHQIFIQ-STQMWFEESA-N 2 0 275.421 2.964 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353484197 283186692 /nfs/dbraw/zinc/18/66/92/283186692.db2.gz IXLSSVVVCIZLSW-NXOAAHMSSA-N 2 0 281.488 2.569 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353484195 283186935 /nfs/dbraw/zinc/18/69/35/283186935.db2.gz IXLSSVVVCIZLSW-MWDXBVQZSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086880511 540255235 /nfs/dbraw/zinc/25/52/35/540255235.db2.gz KANLJNLHIVXEPM-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP COc1ccccc1/C=C\C[NH+]1CCC(CC[NH3+])CC1 ZINC000568007420 290514307 /nfs/dbraw/zinc/51/43/07/290514307.db2.gz LBTNAEVBICMFOU-XQRVVYSFSA-N 2 0 274.408 2.769 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459781839 535358479 /nfs/dbraw/zinc/35/84/79/535358479.db2.gz MQOBNSSDQQZRQS-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000568868834 290574247 /nfs/dbraw/zinc/57/42/47/290574247.db2.gz SWVNYOOVZSWTGZ-OAHLLOKOSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CCC[NH2+]C1 ZINC000422927307 299267874 /nfs/dbraw/zinc/26/78/74/299267874.db2.gz GBFXPJINDDMHBM-IIKUJPTLSA-N 2 0 262.441 2.789 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000228679983 540354628 /nfs/dbraw/zinc/35/46/28/540354628.db2.gz DWCGIJHLUNOAQC-OAHLLOKOSA-N 2 0 276.424 2.873 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186736060 283320925 /nfs/dbraw/zinc/32/09/25/283320925.db2.gz FSXJGOIBUYXTLR-INIZCTEOSA-N 2 0 281.488 2.715 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)OC)CC1 ZINC000020524735 283321021 /nfs/dbraw/zinc/32/10/21/283321021.db2.gz NAYQFYCBCAOHMK-ZDUSSCGKSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000222969341 540382186 /nfs/dbraw/zinc/38/21/86/540382186.db2.gz VZKSVALHQXGJGT-HUUCEWRRSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000147454422 540385985 /nfs/dbraw/zinc/38/59/85/540385985.db2.gz QIJLHIIDKNLVIB-ZBFHGGJFSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422726924 299277825 /nfs/dbraw/zinc/27/78/25/299277825.db2.gz AVKUDVRZYHYZMR-NSHDSACASA-N 2 0 266.816 2.815 20 0 CFADRP C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)C1C[NH2+]C1 ZINC000423049671 299279066 /nfs/dbraw/zinc/27/90/66/299279066.db2.gz KFCJECXYILRQES-HNNXBMFYSA-N 2 0 288.435 2.571 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000420294499 236605005 /nfs/dbraw/zinc/60/50/05/236605005.db2.gz OOJDDMKJPQVSIP-JTQLQIEISA-N 2 0 252.324 2.778 20 0 CFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000124747636 299282459 /nfs/dbraw/zinc/28/24/59/299282459.db2.gz BGRRDRKHRSCRGE-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(O)cc2)C1 ZINC000237514429 540433146 /nfs/dbraw/zinc/43/31/46/540433146.db2.gz PBVYFEQMFPJCMM-GASCZTMLSA-N 2 0 276.424 2.850 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422708016 299288425 /nfs/dbraw/zinc/28/84/25/299288425.db2.gz BEEXVSLMJBZZEI-IRXDYDNUSA-N 3 0 281.488 2.763 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cnccn1 ZINC000158576795 299289806 /nfs/dbraw/zinc/28/98/06/299289806.db2.gz SNKODJLPWMMKQG-JYJNAYRXSA-N 2 0 290.455 2.885 20 0 CFADRP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000096268558 540482532 /nfs/dbraw/zinc/48/25/32/540482532.db2.gz SLUBNEGALOZSLQ-UHFFFAOYSA-N 2 0 274.408 2.613 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000678601790 540469063 /nfs/dbraw/zinc/46/90/63/540469063.db2.gz GIHAVKGUOVDXQR-NVXWUHKLSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC23CCC3)CC1 ZINC000669703122 540517348 /nfs/dbraw/zinc/51/73/48/540517348.db2.gz INUKDUJGGQXHBX-INIZCTEOSA-N 2 0 286.423 2.578 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422730848 237145481 /nfs/dbraw/zinc/14/54/81/237145481.db2.gz KNIYVPFTNFHYLN-QZTJIDSGSA-N 2 0 298.434 2.681 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)c2ccccc21 ZINC000422703658 237125866 /nfs/dbraw/zinc/12/58/66/237125866.db2.gz NQXUNGRJURWDQR-BRWVUGGUSA-N 2 0 274.408 2.662 20 0 CFADRP c1nc([C@@H]2CCC[N@@H+]([C@H]3CCCOC3)C2)n2c1CCCC2 ZINC000669694764 540511627 /nfs/dbraw/zinc/51/16/27/540511627.db2.gz CXYHHDHXXHLDPK-ZBFHGGJFSA-N 2 0 289.423 2.578 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422742301 237156782 /nfs/dbraw/zinc/15/67/82/237156782.db2.gz RGGAMHBFHFFNFN-UGSOOPFHSA-N 2 0 299.418 2.887 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCN(C)c1ccccc1F ZINC000422720849 237136122 /nfs/dbraw/zinc/13/61/22/237136122.db2.gz TZYOINZYHBCNFW-AWEZNQCLSA-N 2 0 281.419 2.759 20 0 CFADRP CCN1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)[C@@H](C)C1 ZINC000435783588 240351531 /nfs/dbraw/zinc/35/15/31/240351531.db2.gz YIJAGNJYGGXMIF-HJWJTTGWSA-N 2 0 258.409 2.862 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422768475 237185835 /nfs/dbraw/zinc/18/58/35/237185835.db2.gz NXOFUKVVWCDUFL-OLZOCXBDSA-N 2 0 252.427 2.803 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251515165 540537979 /nfs/dbraw/zinc/53/79/79/540537979.db2.gz JIYLDCGDBUTHIG-RYUDHWBXSA-N 2 0 252.789 2.942 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422773458 237188357 /nfs/dbraw/zinc/18/83/57/237188357.db2.gz UBFDFHRSEPKCGT-DOMZBBRYSA-N 2 0 282.428 2.776 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422771077 237189447 /nfs/dbraw/zinc/18/94/47/237189447.db2.gz XOSIFGJXAGDPRW-FZMZJTMJSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000422772906 237189978 /nfs/dbraw/zinc/18/99/78/237189978.db2.gz ZGOBFTHQZDZLTD-GLQYFDAESA-N 2 0 290.432 2.743 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774749 237191165 /nfs/dbraw/zinc/19/11/65/237191165.db2.gz YIXLRMOGNDJDND-CHWSQXEVSA-N 2 0 262.397 2.691 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422744755 237159197 /nfs/dbraw/zinc/15/91/97/237159197.db2.gz UDKGTLXJTJXELW-GOEBONIOSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422752928 237164777 /nfs/dbraw/zinc/16/47/77/237164777.db2.gz BMKKQLRRKNXBOO-VHSXEESVSA-N 2 0 258.312 2.503 20 0 CFADRP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422751144 237165948 /nfs/dbraw/zinc/16/59/48/237165948.db2.gz FFJNYEOHUQFVKY-FVQBIDKESA-N 2 0 292.398 2.715 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422752353 237166955 /nfs/dbraw/zinc/16/69/55/237166955.db2.gz DWENGSOGUMFVCF-UIJGJVKASA-N 2 0 293.499 2.616 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccccc1F ZINC000422754534 237169891 /nfs/dbraw/zinc/16/98/91/237169891.db2.gz DVCZKKGLCOBIBV-LBPRGKRZSA-N 2 0 287.382 2.881 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000422775245 237192348 /nfs/dbraw/zinc/19/23/48/237192348.db2.gz AUWIMUZSWWBFFV-JQHSSLGASA-N 2 0 289.467 2.575 20 0 CFADRP COCc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1F ZINC000422758364 237171572 /nfs/dbraw/zinc/17/15/72/237171572.db2.gz IWSHWXXKIUZMNN-LBPRGKRZSA-N 2 0 268.376 2.579 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422757240 237173526 /nfs/dbraw/zinc/17/35/26/237173526.db2.gz HPMFZYNDXNVYMF-FGTMMUONSA-N 2 0 290.451 2.741 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422765518 237179798 /nfs/dbraw/zinc/17/97/98/237179798.db2.gz WJGDIISKNFVUMM-GDBMZVCRSA-N 2 0 261.413 2.596 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251164199 540534639 /nfs/dbraw/zinc/53/46/39/540534639.db2.gz MUXZXJFBGQYVEG-DLBZAZTESA-N 2 0 258.409 2.959 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422794286 237218639 /nfs/dbraw/zinc/21/86/39/237218639.db2.gz YYLJJXPVFQQKOS-LSDHHAIUSA-N 2 0 286.423 2.676 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000422802495 237228267 /nfs/dbraw/zinc/22/82/67/237228267.db2.gz DJCFZBGHIGSQAT-WBMJQRKESA-N 2 0 297.402 2.503 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422797588 237220900 /nfs/dbraw/zinc/22/09/00/237220900.db2.gz NMXQJLGNXQMIEB-LTAJLKHCSA-N 2 0 280.456 2.687 20 0 CFADRP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2ccccc21 ZINC000422797178 237221360 /nfs/dbraw/zinc/22/13/60/237221360.db2.gz LHWJNEZWVHRSJD-KFKAGJAMSA-N 2 0 299.462 2.985 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422796580 237222845 /nfs/dbraw/zinc/22/28/45/237222845.db2.gz YOEGCQPIGLEXBQ-INMHGKMJSA-N 2 0 276.424 2.869 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797914 237222985 /nfs/dbraw/zinc/22/29/85/237222985.db2.gz PBNMFISKUGTBGJ-UWVGGRQHSA-N 2 0 276.302 2.801 20 0 CFADRP COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422780309 237198182 /nfs/dbraw/zinc/19/81/82/237198182.db2.gz CSXQSPDJLMOREH-KGLIPLIRSA-N 2 0 280.412 2.570 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422781103 237199832 /nfs/dbraw/zinc/19/98/32/237199832.db2.gz DQNAUUMXUMNPCF-YNEHKIRRSA-N 2 0 252.427 2.883 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000422786657 237208700 /nfs/dbraw/zinc/20/87/00/237208700.db2.gz QLMIHJFUBVNZIT-SDADXPQNSA-N 2 0 262.397 2.622 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422786339 237210060 /nfs/dbraw/zinc/21/00/60/237210060.db2.gz QFFGZMXNMFZYRY-RDJZCZTQSA-N 2 0 292.471 2.872 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422804293 237228094 /nfs/dbraw/zinc/22/80/94/237228094.db2.gz HFZCRXNTHZLVLK-RBUKOAKNSA-N 2 0 295.430 2.983 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Oc1cccc(F)c1 ZINC000422791110 237212195 /nfs/dbraw/zinc/21/21/95/237212195.db2.gz PXHPMYZYWIKQDC-WQVCFCJDSA-N 2 0 280.387 2.843 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422788918 237212315 /nfs/dbraw/zinc/21/23/15/237212315.db2.gz WBTCYMFXMQMJGK-UONOGXRCSA-N 2 0 264.413 2.906 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Cc1cccs1 ZINC000422791169 237213174 /nfs/dbraw/zinc/21/31/74/237213174.db2.gz YFVGBGVIRWWXNS-OBJOEFQTSA-N 2 0 252.427 2.644 20 0 CFADRP C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)C1C[NH2+]C1 ZINC000422793644 237214545 /nfs/dbraw/zinc/21/45/45/237214545.db2.gz XGDPYVMDNAXBNN-LBPRGKRZSA-N 2 0 287.432 2.550 20 0 CFADRP c1ccc2nc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000422791917 237214855 /nfs/dbraw/zinc/21/48/55/237214855.db2.gz YTGWXRPCSWYVQU-SJPCQFCGSA-N 2 0 281.403 2.650 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000422793215 237216043 /nfs/dbraw/zinc/21/60/43/237216043.db2.gz WRHNSGNKTLMMPU-DOTOQJQBSA-N 2 0 294.439 2.736 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000422793902 237216631 /nfs/dbraw/zinc/21/66/31/237216631.db2.gz YPCYMPIIUZBDNQ-APYUEPQZSA-N 2 0 280.387 2.761 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422815009 237244344 /nfs/dbraw/zinc/24/43/44/237244344.db2.gz ALZGAOBEJMNJED-ROUUACIJSA-N 2 0 298.434 2.664 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422838279 237262938 /nfs/dbraw/zinc/26/29/38/237262938.db2.gz NZTXNOGBGAPQSC-LISAXSMJSA-N 2 0 289.467 2.755 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422825970 237254231 /nfs/dbraw/zinc/25/42/31/237254231.db2.gz QIZVCWVPBZVZSE-ROUUACIJSA-N 2 0 298.434 2.664 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000422828229 237254656 /nfs/dbraw/zinc/25/46/56/237254656.db2.gz OAQWRUSBVIHREJ-OCCSQVGLSA-N 2 0 297.240 2.709 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422827437 237255087 /nfs/dbraw/zinc/25/50/87/237255087.db2.gz DRNLJDBCFTYIPD-WMLDXEAASA-N 2 0 294.414 2.962 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422828227 237255153 /nfs/dbraw/zinc/25/51/53/237255153.db2.gz OAQWRUSBVIHREJ-GXTWGEPZSA-N 2 0 297.240 2.709 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CC[C@H]1[NH3+] ZINC000252834501 540568328 /nfs/dbraw/zinc/56/83/28/540568328.db2.gz RHZBVYLFBFMMBR-IJEWVQPXSA-N 2 0 274.408 2.612 20 0 CFADRP C[N@H+](C[C@H]1CCOc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252823394 540568810 /nfs/dbraw/zinc/56/88/10/540568810.db2.gz BWOKVKMXFZKEKC-JZWPEALZSA-N 2 0 286.419 2.768 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422809721 237233219 /nfs/dbraw/zinc/23/32/19/237233219.db2.gz QHHYMJAGYZAJFS-HZPDHXFCSA-N 2 0 262.397 2.583 20 0 CFADRP c1cc2cc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)ccc2cn1 ZINC000666793761 540579984 /nfs/dbraw/zinc/57/99/84/540579984.db2.gz ALTIRMQXHOMFPM-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422814570 237240088 /nfs/dbraw/zinc/24/00/88/237240088.db2.gz VLBCKZRPOJNQJX-QZTJIDSGSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000422814645 237241263 /nfs/dbraw/zinc/24/12/63/237241263.db2.gz VTZIQYVKQUPADV-BFHYXJOUSA-N 2 0 272.396 2.649 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000422853528 237275901 /nfs/dbraw/zinc/27/59/01/237275901.db2.gz ZAKOWLLOTMORLS-NUEKZKHPSA-N 2 0 268.445 2.689 20 0 CFADRP c1ccc2c(c1)ccnc2C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666902408 540589733 /nfs/dbraw/zinc/58/97/33/540589733.db2.gz OPXMEJLVDJKTRR-HNNXBMFYSA-N 2 0 269.392 2.857 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000422863577 237282251 /nfs/dbraw/zinc/28/22/51/237282251.db2.gz SASCOODHKBWDHF-RYUDHWBXSA-N 2 0 299.484 2.845 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N(C)c1ccccc1 ZINC000422863309 237282641 /nfs/dbraw/zinc/28/26/41/237282641.db2.gz ONPRUGOUVYDSNK-BFYDXBDKSA-N 2 0 275.440 2.618 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422865195 237284863 /nfs/dbraw/zinc/28/48/63/237284863.db2.gz OKFWIPMLVLFBQO-ZIAGYGMSSA-N 2 0 286.423 2.959 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422867519 237285838 /nfs/dbraw/zinc/28/58/38/237285838.db2.gz SQWMOTRZFCELQL-IHRRRGAJSA-N 2 0 286.423 2.957 20 0 CFADRP c1oc2ccccc2c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952383 540596371 /nfs/dbraw/zinc/59/63/71/540596371.db2.gz USRNPJILBUNVGQ-HNNXBMFYSA-N 2 0 256.349 2.665 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953737 540596626 /nfs/dbraw/zinc/59/66/26/540596626.db2.gz GOJXXAFZBPWTNQ-HOCLYGCPSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000422869820 237288798 /nfs/dbraw/zinc/28/87/98/237288798.db2.gz YDEOEEBCISEXNJ-LOWVWBTDSA-N 2 0 250.411 2.939 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955464 540596960 /nfs/dbraw/zinc/59/69/60/540596960.db2.gz MKARWBQNOPDSGY-QGZVFWFLSA-N 2 0 286.419 2.707 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666955454 540596967 /nfs/dbraw/zinc/59/69/67/540596967.db2.gz LNKZPAJIHIIGJH-IJLUTSLNSA-N 2 0 276.346 2.839 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])co2)cc1 ZINC000422878206 237300257 /nfs/dbraw/zinc/30/02/57/237300257.db2.gz JLQJHZNRUXOWEY-NVXWUHKLSA-N 2 0 299.418 2.910 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422868393 237289172 /nfs/dbraw/zinc/28/91/72/237289172.db2.gz UZFSQPWUOKJZJQ-ZDUSSCGKSA-N 2 0 284.407 2.583 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422872184 237291492 /nfs/dbraw/zinc/29/14/92/237291492.db2.gz GBSNRNZVPVQSGG-HPBDAGMYSA-N 2 0 290.451 2.791 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422873451 237292098 /nfs/dbraw/zinc/29/20/98/237292098.db2.gz AJOUIPFIGSBTLJ-DLBZAZTESA-N 2 0 284.407 2.622 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N(C)c1ccccc1 ZINC000422871122 237292532 /nfs/dbraw/zinc/29/25/32/237292532.db2.gz ZVCTWUFOZUBNEQ-PVAVHDDUSA-N 2 0 275.440 2.761 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422875152 237296706 /nfs/dbraw/zinc/29/67/06/237296706.db2.gz OKQXBROQJDLDBC-WDEREUQCSA-N 2 0 272.339 2.812 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422874323 237297065 /nfs/dbraw/zinc/29/70/65/237297065.db2.gz NIYWWKQYVRQWEW-UKRRQHHQSA-N 2 0 262.397 2.611 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422839298 237265375 /nfs/dbraw/zinc/26/53/75/237265375.db2.gz ZSSRGBHVOWRYDI-BBRMVZONSA-N 2 0 280.387 2.702 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840664 237266168 /nfs/dbraw/zinc/26/61/68/237266168.db2.gz UIUVTJXFUPQGCY-RRFJBIMHSA-N 2 0 295.496 2.676 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422839322 237266348 /nfs/dbraw/zinc/26/63/48/237266348.db2.gz ZVXQOYDWPMLBDV-NUJGCVRESA-N 2 0 287.451 2.633 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856516 540588208 /nfs/dbraw/zinc/58/82/08/540588208.db2.gz MPGJBHMYRRPNRH-CQSZACIVSA-N 2 0 252.789 2.880 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422887241 237309304 /nfs/dbraw/zinc/30/93/04/237309304.db2.gz AQCQMNPXILYFFP-LSDHHAIUSA-N 2 0 290.455 2.533 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893694 237314181 /nfs/dbraw/zinc/31/41/81/237314181.db2.gz QZVOLCKVGALOQW-CHWSQXEVSA-N 2 0 288.313 2.597 20 0 CFADRP Cc1ccccc1CN1CCC([NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422894634 237314208 /nfs/dbraw/zinc/31/42/08/237314208.db2.gz CQEQQKIJVRAAMO-MRXNPFEDSA-N 2 0 289.467 2.676 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422895090 237316296 /nfs/dbraw/zinc/31/62/96/237316296.db2.gz VHFQLWIMEFUZSY-GHMZBOCLSA-N 2 0 290.329 2.843 20 0 CFADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422911355 237338506 /nfs/dbraw/zinc/33/85/06/237338506.db2.gz KMTAILVLEASVEF-XKQJLSEDSA-N 2 0 258.409 2.738 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422900126 237323468 /nfs/dbraw/zinc/32/34/68/237323468.db2.gz PXOHXHUHPISBNO-RDJZCZTQSA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913638 237336595 /nfs/dbraw/zinc/33/65/95/237336595.db2.gz YVDHPCCRPVDSQC-RCCFBDPRSA-N 2 0 293.499 2.748 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882085 237301842 /nfs/dbraw/zinc/30/18/42/237301842.db2.gz ACWYAJMWGFDVPJ-CZUORRHYSA-N 2 0 271.408 2.818 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Cl ZINC000422927205 237360203 /nfs/dbraw/zinc/36/02/03/237360203.db2.gz YJRIOQLMGFVJCV-HABKJSAYSA-N 2 0 294.826 2.980 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422927639 237360389 /nfs/dbraw/zinc/36/03/89/237360389.db2.gz ZJWCSEMKHMXPRT-XJKSGUPXSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000422945222 237374315 /nfs/dbraw/zinc/37/43/15/237374315.db2.gz NAUCRXLHJSVTJH-ZIAGYGMSSA-N 2 0 272.392 2.934 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422936732 237367796 /nfs/dbraw/zinc/36/77/96/237367796.db2.gz FXRRTANIFOECIL-CVEARBPZSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000422936387 237368699 /nfs/dbraw/zinc/36/86/99/237368699.db2.gz BMHRWPKSTCGCRH-VXGBXAGGSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422936654 237369651 /nfs/dbraw/zinc/36/96/51/237369651.db2.gz FNAQELLVJMNMBX-GHMZBOCLSA-N 2 0 290.329 2.800 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422940069 237370786 /nfs/dbraw/zinc/37/07/86/237370786.db2.gz IMUQXSCHELEJSB-AWEZNQCLSA-N 2 0 299.418 2.887 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422940077 237371426 /nfs/dbraw/zinc/37/14/26/237371426.db2.gz INUBMRFMWPOFLA-JKSUJKDBSA-N 2 0 276.424 2.789 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943756 237373143 /nfs/dbraw/zinc/37/31/43/237373143.db2.gz KSOZBJGSZOZHQJ-HNNXBMFYSA-N 2 0 284.831 2.616 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422915753 237340956 /nfs/dbraw/zinc/34/09/56/237340956.db2.gz BUUFLZXQDARVQU-HIFRSBDPSA-N 2 0 258.365 2.692 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422914953 237341386 /nfs/dbraw/zinc/34/13/86/237341386.db2.gz WUQRJLXXLKXYSX-QWRGUYRKSA-N 2 0 296.365 2.689 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@@H](C)CCCC[NH3+])CC2)n1 ZINC000422917158 237343809 /nfs/dbraw/zinc/34/38/09/237343809.db2.gz CRYLSJOKHJHLJX-XGNXJENSSA-N 2 0 280.416 2.511 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422966934 237398994 /nfs/dbraw/zinc/39/89/94/237398994.db2.gz AWPSPSCVBAHBKF-ZRGWGRIASA-N 2 0 298.430 2.871 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)c2ccccc21 ZINC000422946441 237375283 /nfs/dbraw/zinc/37/52/83/237375283.db2.gz OOKIFQGIBTUZAB-IRXDYDNUSA-N 2 0 286.350 2.939 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCc2ccc(CO)c(F)c2)c2ccccc21 ZINC000422965413 237393380 /nfs/dbraw/zinc/39/33/80/237393380.db2.gz OMYUTMQJHJMLAO-SJORKVTESA-N 2 0 286.350 2.552 20 0 CFADRP CC(C)(C)OC1CC([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000297446858 200194051 /nfs/dbraw/zinc/19/40/51/200194051.db2.gz GTPBKDSIPRAUOC-UHFFFAOYSA-N 2 0 273.380 2.770 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1c(C)oc2ccccc21 ZINC000423054274 237483842 /nfs/dbraw/zinc/48/38/42/237483842.db2.gz UJBAZIBKQFWNSR-AWEZNQCLSA-N 2 0 290.407 2.627 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000257714992 540662357 /nfs/dbraw/zinc/66/23/57/540662357.db2.gz UPNBZZJKHLOCBB-AWEZNQCLSA-N 2 0 250.411 2.632 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCOC4(CCC4)C3)ccc12 ZINC000297537803 200222455 /nfs/dbraw/zinc/22/24/55/200222455.db2.gz OMFOXPXYWGLSTO-AWEZNQCLSA-N 2 0 271.364 2.526 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423083713 237511981 /nfs/dbraw/zinc/51/19/81/237511981.db2.gz GLGNLFBCPLMSGD-GDBMZVCRSA-N 2 0 280.387 2.547 20 0 CFADRP COC1(C[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)CCC1 ZINC000297552083 200226096 /nfs/dbraw/zinc/22/60/96/200226096.db2.gz PUDPNPCAMQQWSX-CYBMUJFWSA-N 2 0 273.380 2.772 20 0 CFADRP Cc1cc(N[C@H]2CCc3nc(C(C)(C)C)cn3C2)ncn1 ZINC000329407250 202321080 /nfs/dbraw/zinc/32/10/80/202321080.db2.gz CCVSOJLYEVJKRH-LBPRGKRZSA-N 2 0 285.395 2.706 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](CC)CO1 ZINC000403845612 540674371 /nfs/dbraw/zinc/67/43/71/540674371.db2.gz QPVXXMFAQWJSGS-DLBZAZTESA-N 2 0 288.435 2.722 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000403701162 540673355 /nfs/dbraw/zinc/67/33/55/540673355.db2.gz CJPWGFZTIHTLMZ-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000297861614 200294079 /nfs/dbraw/zinc/29/40/79/200294079.db2.gz UDOOEQJTIJGNCS-MRXNPFEDSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H]1CC[NH3+] ZINC000404426634 540678757 /nfs/dbraw/zinc/67/87/57/540678757.db2.gz LYGYYDBTAMZCRL-DGXTUMSLSA-N 2 0 250.430 2.872 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCN(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154026 540689170 /nfs/dbraw/zinc/68/91/70/540689170.db2.gz NDERRLPGZKGGPO-SIXLDLHFSA-N 2 0 258.409 2.862 20 0 CFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422964508 299305852 /nfs/dbraw/zinc/30/58/52/299305852.db2.gz LYUUMNPZZUNMGP-XHSDSOJGSA-N 2 0 291.439 2.537 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000162079039 540702857 /nfs/dbraw/zinc/70/28/57/540702857.db2.gz RHZBVYLFBFMMBR-YCPHGPKFSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000177315774 189043713 /nfs/dbraw/zinc/04/37/13/189043713.db2.gz BBVMMJRYUQJILZ-KBPBESRZSA-N 2 0 295.858 2.627 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423465299 299309061 /nfs/dbraw/zinc/30/90/61/299309061.db2.gz HPELQNHKBKKQHY-RRFJBIMHSA-N 2 0 275.440 2.921 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CCOC1 ZINC000369849362 299309341 /nfs/dbraw/zinc/30/93/41/299309341.db2.gz BKSFPBUKZKWWOC-LEUOFYLZSA-N 2 0 288.435 2.694 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423465301 299309386 /nfs/dbraw/zinc/30/93/86/299309386.db2.gz HPELQNHKBKKQHY-ZNMIVQPWSA-N 2 0 275.440 2.921 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423479851 299309391 /nfs/dbraw/zinc/30/93/91/299309391.db2.gz VHUYLGPCVNHMPO-BFHYXJOUSA-N 2 0 286.423 2.741 20 0 CFADRP COC[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000177465566 189053188 /nfs/dbraw/zinc/05/31/88/189053188.db2.gz LTMPJEIWBYGJQJ-GJZGRUSLSA-N 2 0 264.413 2.522 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000177733651 189065970 /nfs/dbraw/zinc/06/59/70/189065970.db2.gz SZIZUTOHXSMVFE-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000178301075 189105421 /nfs/dbraw/zinc/10/54/21/189105421.db2.gz IHARFUSAPHPVMD-CYBMUJFWSA-N 2 0 282.403 2.792 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000178420071 189115082 /nfs/dbraw/zinc/11/50/82/189115082.db2.gz NLGGMWQEVGFEGP-ZMSDIMECSA-N 2 0 290.451 2.864 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000178413765 189114308 /nfs/dbraw/zinc/11/43/08/189114308.db2.gz DAIDPPBPHFGHQZ-INIZCTEOSA-N 2 0 274.408 2.976 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423102164 296020576 /nfs/dbraw/zinc/02/05/76/296020576.db2.gz ODPXOAOSKFGPIQ-HZPDHXFCSA-N 2 0 281.488 2.748 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000435879883 240364288 /nfs/dbraw/zinc/36/42/88/240364288.db2.gz GBVGRSQVXNYYKV-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000178829530 189148877 /nfs/dbraw/zinc/14/88/77/189148877.db2.gz WIDCRAZPBCSYKU-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP Cc1cccc(NC2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000178982793 189159586 /nfs/dbraw/zinc/15/95/86/189159586.db2.gz QTOLZNCQDOAMSE-UHFFFAOYSA-N 2 0 287.451 2.871 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423095462 238198000 /nfs/dbraw/zinc/19/80/00/238198000.db2.gz MLDWWBRKPJQUAG-DZJQYVJYSA-N 2 0 280.362 2.798 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098706 238199686 /nfs/dbraw/zinc/19/96/86/238199686.db2.gz DJLWAMPTOWDRNO-KBPBESRZSA-N 2 0 277.799 2.764 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)CC2CCCC2)c2ccccc21 ZINC000423097580 238200600 /nfs/dbraw/zinc/20/06/00/238200600.db2.gz JLQZPTDTBWGEAL-OLMNPRSZSA-N 2 0 288.435 2.910 20 0 CFADRP Cc1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178958528 189157494 /nfs/dbraw/zinc/15/74/94/189157494.db2.gz GHYBNGXDQOWHPZ-UHFFFAOYSA-N 2 0 288.435 2.838 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423120236 238213189 /nfs/dbraw/zinc/21/31/89/238213189.db2.gz GLXWIMBDTYAKKN-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423124066 238215287 /nfs/dbraw/zinc/21/52/87/238215287.db2.gz FTVKYVKVAJFICB-XNJJOIOASA-N 2 0 292.398 2.545 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414930050 540830915 /nfs/dbraw/zinc/83/09/15/540830915.db2.gz SJBGTGGZCGABIY-BRWVUGGUSA-N 2 0 294.414 2.633 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414925780 540831355 /nfs/dbraw/zinc/83/13/55/540831355.db2.gz MCYWHMZQVGTSHS-WDEREUQCSA-N 2 0 267.442 2.800 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415088363 540834220 /nfs/dbraw/zinc/83/42/20/540834220.db2.gz XIIBFAGCXUANOM-GJZGRUSLSA-N 2 0 276.424 2.606 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1OC ZINC000423118761 238210207 /nfs/dbraw/zinc/21/02/07/238210207.db2.gz CEVYOSMWVCJBLS-AAEUAGOBSA-N 2 0 280.412 2.790 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423139101 238226345 /nfs/dbraw/zinc/22/63/45/238226345.db2.gz KJTOGRMYPBRNMO-HUUCEWRRSA-N 2 0 275.440 2.917 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423143568 238228237 /nfs/dbraw/zinc/22/82/37/238228237.db2.gz XISKTUUWZGJMIO-DZGCQCFKSA-N 2 0 275.440 2.645 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423143571 238229241 /nfs/dbraw/zinc/22/92/41/238229241.db2.gz XISKTUUWZGJMIO-ZFWWWQNUSA-N 2 0 275.440 2.645 20 0 CFADRP COCc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000179217046 189178399 /nfs/dbraw/zinc/17/83/99/189178399.db2.gz LCWDIPIKZMFCEB-UHFFFAOYSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423152187 238237149 /nfs/dbraw/zinc/23/71/49/238237149.db2.gz DXTDVRUMVKQAFQ-JTQLQIEISA-N 2 0 275.318 2.708 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423152405 238237790 /nfs/dbraw/zinc/23/77/90/238237790.db2.gz DYSQCZZMGVSBOT-ZYHUDNBSSA-N 2 0 287.329 2.708 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423156064 238240022 /nfs/dbraw/zinc/24/00/22/238240022.db2.gz RQXFNJZBCZEJFQ-IUODEOHRSA-N 2 0 289.448 2.542 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H](C)C(C)(C)C ZINC000670268576 540849906 /nfs/dbraw/zinc/84/99/06/540849906.db2.gz RKFYOTAGWQCVEH-KBPBESRZSA-N 2 0 258.450 2.615 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423158610 238242596 /nfs/dbraw/zinc/24/25/96/238242596.db2.gz OIRQNXVAAILJSL-NWDGAFQWSA-N 2 0 287.329 2.708 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)CCC[NH3+])C2)c1 ZINC000423163418 238246825 /nfs/dbraw/zinc/24/68/25/238246825.db2.gz RDIYDWOYMQKPHG-BPLDGKMQSA-N 2 0 262.397 2.658 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423164770 238246895 /nfs/dbraw/zinc/24/68/95/238246895.db2.gz ADWFAMIFVDZNBI-LCGIIJARSA-N 2 0 262.372 2.931 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000423169027 238248374 /nfs/dbraw/zinc/24/83/74/238248374.db2.gz IOWRQXQBDNPKOM-WOSRLPQWSA-N 2 0 261.413 2.934 20 0 CFADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423166372 238248645 /nfs/dbraw/zinc/24/86/45/238248645.db2.gz CLSBWRAZPFKVEB-ZJIFWQFVSA-N 2 0 268.445 2.559 20 0 CFADRP COCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000423169838 238251147 /nfs/dbraw/zinc/25/11/47/238251147.db2.gz WNUCLAWJYOSCJK-WBVHZDCISA-N 2 0 290.451 2.741 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC1([NH3+])CCCCCC1 ZINC000423199681 238273029 /nfs/dbraw/zinc/27/30/29/238273029.db2.gz KMENFDJZOFIHSJ-ZDUSSCGKSA-N 2 0 290.455 2.551 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000423202353 238275369 /nfs/dbraw/zinc/27/53/69/238275369.db2.gz AUUFCBSRHPNMKF-MAUKXSAKSA-N 2 0 272.436 2.905 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423207473 238278307 /nfs/dbraw/zinc/27/83/07/238278307.db2.gz CSOCNLIMBRCDEM-YDHLFZDLSA-N 2 0 278.444 2.811 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423227965 238291188 /nfs/dbraw/zinc/29/11/88/238291188.db2.gz XSGBLHZFJLDKAR-AEGPPILISA-N 2 0 262.397 2.559 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166504257 540892411 /nfs/dbraw/zinc/89/24/11/540892411.db2.gz STPIEGDZFIURRX-KZNAEPCWSA-N 2 0 293.499 2.857 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000155754184 540904408 /nfs/dbraw/zinc/90/44/08/540904408.db2.gz YLSGESSCZPOOEW-GDBMZVCRSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000422817258 299318501 /nfs/dbraw/zinc/31/85/01/299318501.db2.gz HDBVRMWSFGOHIQ-HOSYDEDBSA-N 2 0 264.335 2.553 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000423255877 238312175 /nfs/dbraw/zinc/31/21/75/238312175.db2.gz DCAKUDJORJIUMY-JSGCOSHPSA-N 2 0 250.386 2.937 20 0 CFADRP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@@H]1CCCOC1 ZINC000423265544 238323263 /nfs/dbraw/zinc/32/32/63/238323263.db2.gz BEUXCUPCGIADEK-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423264369 238319351 /nfs/dbraw/zinc/31/93/51/238319351.db2.gz YKCXALABCSJBPD-WMZOPIPTSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1N(C)C ZINC000423283017 238342600 /nfs/dbraw/zinc/34/26/00/238342600.db2.gz VQMJPPDHMYIOKO-OFQRWUPVSA-N 2 0 275.440 2.921 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423283869 238343752 /nfs/dbraw/zinc/34/37/52/238343752.db2.gz FSPHGPSDWOYACT-QMTHXVAHSA-N 2 0 250.361 2.776 20 0 CFADRP c1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccncn2)cc1 ZINC000423283977 238344012 /nfs/dbraw/zinc/34/40/12/238344012.db2.gz XVKNTCKAKYWMIP-CRAIPNDOSA-N 2 0 296.418 2.545 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cn1 ZINC000156711977 540937336 /nfs/dbraw/zinc/93/73/36/540937336.db2.gz FOSNQHPYZDXLCW-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423275910 238333326 /nfs/dbraw/zinc/33/33/26/238333326.db2.gz MHPUINFQKPUHKA-OIISXLGYSA-N 2 0 275.440 2.900 20 0 CFADRP C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423101632 299318530 /nfs/dbraw/zinc/31/85/30/299318530.db2.gz WDYBUHVIXACJSL-UAGQMJEPSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423309949 238365402 /nfs/dbraw/zinc/36/54/02/238365402.db2.gz QXNYBHCSCDJSHD-DAXOMENPSA-N 2 0 296.842 2.615 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)C1CC1 ZINC000423313673 238367351 /nfs/dbraw/zinc/36/73/51/238367351.db2.gz GAYICOWCAFTEKV-DLBZAZTESA-N 2 0 258.409 2.643 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000423288961 238348779 /nfs/dbraw/zinc/34/87/79/238348779.db2.gz ADNNWVKTMBRBDT-HEHGZKQESA-N 2 0 262.397 2.611 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH3+])C1 ZINC000423288518 238349202 /nfs/dbraw/zinc/34/92/02/238349202.db2.gz SNOCASATCWBKRS-KBPBESRZSA-N 2 0 261.413 2.743 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000423302886 238358924 /nfs/dbraw/zinc/35/89/24/238358924.db2.gz WEMJFMHVVHHSMX-RKDXNWHRSA-N 2 0 289.192 2.834 20 0 CFADRP CCc1nc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000157158988 540943472 /nfs/dbraw/zinc/94/34/72/540943472.db2.gz LXBVXRYBHNXQPQ-GFCCVEGCSA-N 2 0 281.469 2.568 20 0 CFADRP COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180104391 189236997 /nfs/dbraw/zinc/23/69/97/189236997.db2.gz PWRBKLYPEIHGMV-AYHJJNSGSA-N 2 0 288.435 2.808 20 0 CFADRP Clc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305546 238362312 /nfs/dbraw/zinc/36/23/12/238362312.db2.gz RDMQELGPWVDFNE-LSDHHAIUSA-N 2 0 264.800 2.785 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1F ZINC000423324807 238377758 /nfs/dbraw/zinc/37/77/58/238377758.db2.gz IZUZKTUZSSWIFG-MLGOLLRUSA-N 2 0 280.387 2.875 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423328083 238380533 /nfs/dbraw/zinc/38/05/33/238380533.db2.gz ACWKUYXILJKYED-SNVBAGLBSA-N 2 0 250.308 2.617 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423336781 238389456 /nfs/dbraw/zinc/38/94/56/238389456.db2.gz YERRCMBOTKNRHA-QMTHXVAHSA-N 2 0 286.341 2.963 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331810 238382648 /nfs/dbraw/zinc/38/26/48/238382648.db2.gz CYYUCACOVICANJ-UONOGXRCSA-N 2 0 274.408 2.697 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423331676 238382814 /nfs/dbraw/zinc/38/28/14/238382814.db2.gz CRAKNXLPNRPRMN-NSHDSACASA-N 2 0 282.334 2.858 20 0 CFADRP Clc1ccc([C@H]2CC[C@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423337500 238387398 /nfs/dbraw/zinc/38/73/98/238387398.db2.gz YJJSWRUFYQRVEA-ZFWWWQNUSA-N 2 0 264.800 2.785 20 0 CFADRP Cc1cc([C@@H]([NH2+]CCCC[NH3+])C2CC2)ccc1F ZINC000423335935 238387906 /nfs/dbraw/zinc/38/79/06/238387906.db2.gz UKIHLDMNRDWFBB-HNNXBMFYSA-N 2 0 250.361 2.914 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000166466423 540979543 /nfs/dbraw/zinc/97/95/43/540979543.db2.gz PYHYKQFZBUSERU-HUUCEWRRSA-N 2 0 293.480 2.991 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423315793 238370253 /nfs/dbraw/zinc/37/02/53/238370253.db2.gz AKVDGEAMCJJXGX-CVEARBPZSA-N 2 0 262.372 2.792 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)nc1 ZINC000423349609 238397906 /nfs/dbraw/zinc/39/79/06/238397906.db2.gz XDOKYMKKIJGXRO-SFHVURJKSA-N 2 0 297.377 2.819 20 0 CFADRP C[C@@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423339583 238391603 /nfs/dbraw/zinc/39/16/03/238391603.db2.gz VKIXONDMPDWICJ-QZTJIDSGSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCCC1 ZINC000310873335 541022331 /nfs/dbraw/zinc/02/23/31/541022331.db2.gz RTGWEMOXYOYWBL-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP Cc1noc(C2CCC([NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000423464691 238471547 /nfs/dbraw/zinc/47/15/47/238471547.db2.gz GXKCRBODZRAUTI-FGZQJIAISA-N 2 0 292.427 2.511 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423491452 238493975 /nfs/dbraw/zinc/49/39/75/238493975.db2.gz JTJIDQVJKLPOAG-GDZNZVCISA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000423491610 238494196 /nfs/dbraw/zinc/49/41/96/238494196.db2.gz JYBASUSZFNEQCI-XYVMCAHJSA-N 2 0 288.435 2.871 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000335240520 283639399 /nfs/dbraw/zinc/63/93/99/283639399.db2.gz PXDGDGHVKOZHJD-IRXDYDNUSA-N 2 0 280.456 2.785 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423515118 238509216 /nfs/dbraw/zinc/50/92/16/238509216.db2.gz SPVIULDBPWQQMN-ORAAPJFESA-N 2 0 288.435 2.904 20 0 CFADRP CC[C@H]1CN(Cc2cc(C)ccc2F)CC[C@@H]1[NH3+] ZINC000220233917 541047956 /nfs/dbraw/zinc/04/79/56/541047956.db2.gz SLKRVYQPAIOYFE-WFASDCNBSA-N 2 0 250.361 2.693 20 0 CFADRP Fc1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000423556232 238527282 /nfs/dbraw/zinc/52/72/82/238527282.db2.gz YQGKQEQGIDYPGD-WRFANHODSA-N 2 0 289.398 2.650 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671746634 541064902 /nfs/dbraw/zinc/06/49/02/541064902.db2.gz NROMQINLUQTILN-LEUOFYLZSA-N 2 0 270.420 2.789 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671741765 541063622 /nfs/dbraw/zinc/06/36/22/541063622.db2.gz WRTZHBVHHMAZMZ-RYUDHWBXSA-N 2 0 289.379 2.526 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000671745633 541063964 /nfs/dbraw/zinc/06/39/64/541063964.db2.gz CMKQZQORFWUZKD-PNESKVBLSA-N 2 0 267.442 2.975 20 0 CFADRP COCC[N@H+](C)CCCN[C@@H](C)c1cccc(F)c1F ZINC000183222400 189350857 /nfs/dbraw/zinc/35/08/57/189350857.db2.gz GZQHDFZHXRDMIG-LBPRGKRZSA-N 2 0 286.366 2.584 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000671751314 541078631 /nfs/dbraw/zinc/07/86/31/541078631.db2.gz CKLIYYCWCKPQMC-GVDBMIGSSA-N 2 0 288.435 2.966 20 0 CFADRP COCCC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184750853 189394797 /nfs/dbraw/zinc/39/47/97/189394797.db2.gz KFYDKWHUHFZRCA-BYICEURKSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc(F)c2)CC[N@@H+]1C ZINC000184462702 189386624 /nfs/dbraw/zinc/38/66/24/189386624.db2.gz KKCNOWVQHCKONB-CJNGLKHVSA-N 2 0 279.403 2.700 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000666614335 541120326 /nfs/dbraw/zinc/12/03/26/541120326.db2.gz ZOYPKMHKSHMXIP-UKRRQHHQSA-N 2 0 292.423 2.524 20 0 CFADRP [NH3+]CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000666615450 541120839 /nfs/dbraw/zinc/12/08/39/541120839.db2.gz SWQJVEPFYQZVID-UHFFFAOYSA-N 2 0 276.380 2.509 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000666624540 541122921 /nfs/dbraw/zinc/12/29/21/541122921.db2.gz OCIHGCXTTDLJKF-CQSZACIVSA-N 2 0 257.381 2.696 20 0 CFADRP CC[N@H+](CCC(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666635683 541124918 /nfs/dbraw/zinc/12/49/18/541124918.db2.gz XFONWMUKUJAYIQ-WDEREUQCSA-N 2 0 252.324 2.649 20 0 CFADRP CC(C)C[C@@H](C[NH3+])NCc1ccc2cnccc2c1 ZINC000666799231 541145113 /nfs/dbraw/zinc/14/51/13/541145113.db2.gz JLZVLVMEHFKRNW-INIZCTEOSA-N 2 0 257.381 2.698 20 0 CFADRP CC1(C[NH2+]Cc2ncccc2C(F)(F)F)CC[NH2+]CC1 ZINC000666839644 541150249 /nfs/dbraw/zinc/15/02/49/541150249.db2.gz OFMPXIQOLBRESR-UHFFFAOYSA-N 2 0 287.329 2.580 20 0 CFADRP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCC[NH2+]C1 ZINC000666844164 541150893 /nfs/dbraw/zinc/15/08/93/541150893.db2.gz XZYHCHSKRKLYHJ-OAHLLOKOSA-N 2 0 290.436 2.618 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000666857828 541152584 /nfs/dbraw/zinc/15/25/84/541152584.db2.gz LCWVIBCEVOTVHE-DZGCQCFKSA-N 2 0 294.414 2.745 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858137 541153425 /nfs/dbraw/zinc/15/34/25/541153425.db2.gz ZMUMTPDPBHXVRU-INIZCTEOSA-N 2 0 274.408 2.707 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(C[NH3+])cc1 ZINC000666864079 541154356 /nfs/dbraw/zinc/15/43/56/541154356.db2.gz UGJWAVFIUHWNQY-BBRMVZONSA-N 2 0 261.413 2.868 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000666920447 541160190 /nfs/dbraw/zinc/16/01/90/541160190.db2.gz HSSGLLCHACXPFW-YOEHRIQHSA-N 2 0 296.418 2.751 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950709 541165334 /nfs/dbraw/zinc/16/53/34/541165334.db2.gz BSYCOYJNUGZZJL-CYBMUJFWSA-N 2 0 282.334 2.520 20 0 CFADRP Clc1cscc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952221 541166038 /nfs/dbraw/zinc/16/60/38/541166038.db2.gz KUWUSQYMEWIBNW-NSHDSACASA-N 2 0 256.802 2.633 20 0 CFADRP CC(C)C1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666953619 541166339 /nfs/dbraw/zinc/16/63/39/541166339.db2.gz CEOFGINNNCVJDM-NRXISQOPSA-N 2 0 250.430 2.933 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000666954316 541166431 /nfs/dbraw/zinc/16/64/31/541166431.db2.gz UNXBZTDFZLXUML-BGTMTDRBSA-N 2 0 278.346 2.710 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954160 541166530 /nfs/dbraw/zinc/16/65/30/541166530.db2.gz RAUWZZOKNDUNRM-WMLDXEAASA-N 2 0 288.435 2.748 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953562 541166550 /nfs/dbraw/zinc/16/65/50/541166550.db2.gz BCSMWHDWKZKPLH-GOEBONIOSA-N 2 0 258.409 2.658 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953895 541166614 /nfs/dbraw/zinc/16/66/14/541166614.db2.gz KLILYUUBQMCIFN-JSGCOSHPSA-N 2 0 264.438 2.801 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953563 541166698 /nfs/dbraw/zinc/16/66/98/541166698.db2.gz BCSMWHDWKZKPLH-HOCLYGCPSA-N 2 0 258.409 2.658 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000666954700 541167063 /nfs/dbraw/zinc/16/70/63/541167063.db2.gz ZKDWNSMTLGDPSI-GDBMZVCRSA-N 2 0 258.409 2.597 20 0 CFADRP COc1cccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1F ZINC000666968948 541168732 /nfs/dbraw/zinc/16/87/32/541168732.db2.gz MBCNZTZHZCGVGB-HIFRSBDPSA-N 2 0 292.398 2.798 20 0 CFADRP CCc1nn(C)cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000666977314 541169770 /nfs/dbraw/zinc/16/97/70/541169770.db2.gz IYBNQGQTIDUUGL-KRWDZBQOSA-N 2 0 286.423 2.552 20 0 CFADRP c1ccc([C@@H]2C[C@H](N[C@@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]2)cc1 ZINC000666993905 541170745 /nfs/dbraw/zinc/17/07/45/541170745.db2.gz SGGSLDCUWUUNKJ-KURKYZTESA-N 3 0 299.462 2.744 20 0 CFADRP Fc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000666998441 541171986 /nfs/dbraw/zinc/17/19/86/541171986.db2.gz UPOCORPQECUXIR-GFCCVEGCSA-N 2 0 266.335 2.729 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3cnccc32)C[C@@H]1C[NH3+] ZINC000667039972 541177861 /nfs/dbraw/zinc/17/78/61/541177861.db2.gz CELYKVFWKXAZGA-BBRMVZONSA-N 2 0 269.392 2.652 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427123727 239285269 /nfs/dbraw/zinc/28/52/69/239285269.db2.gz ZBWCOALOPPVUFO-WBVHZDCISA-N 2 0 274.408 2.529 20 0 CFADRP c1ccc(C(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000318769996 541242199 /nfs/dbraw/zinc/24/21/99/541242199.db2.gz WAXYWGLETBMBDT-KDURUIRLSA-N 2 0 292.426 2.970 20 0 CFADRP C[NH+](C)C[C@H]1CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC000667628409 541272836 /nfs/dbraw/zinc/27/28/36/541272836.db2.gz DXKSYYQREXPIGQ-CYBMUJFWSA-N 2 0 292.398 2.750 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000667628572 541273512 /nfs/dbraw/zinc/27/35/12/541273512.db2.gz JSUWMYPXJNXTET-OAHLLOKOSA-N 2 0 276.424 2.777 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000427994592 239358400 /nfs/dbraw/zinc/35/84/00/239358400.db2.gz SQZJPNRGTGNULJ-INIZCTEOSA-N 2 0 261.413 2.734 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667759044 541306452 /nfs/dbraw/zinc/30/64/52/541306452.db2.gz XKKLGIIMQTVYOS-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667788327 541315234 /nfs/dbraw/zinc/31/52/34/541315234.db2.gz NUNZKFANTSVJNC-FSDCSDTHSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H]1[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1C ZINC000494814247 291309669 /nfs/dbraw/zinc/30/96/69/291309669.db2.gz ZSJWODNFYIGGGI-UYJHQMFVSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCC1 ZINC000668055611 541375985 /nfs/dbraw/zinc/37/59/85/541375985.db2.gz GOQBNGHVHLNICV-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP OC1CC(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000432417384 240001293 /nfs/dbraw/zinc/00/12/93/240001293.db2.gz VJGORZISHVTGMH-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCC[NH2+]CC1 ZINC000435372607 240305463 /nfs/dbraw/zinc/30/54/63/240305463.db2.gz SDRFWPRWYRRKNQ-INIZCTEOSA-N 2 0 299.418 2.904 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2c1 ZINC000435379777 240307319 /nfs/dbraw/zinc/30/73/19/240307319.db2.gz NKBLFGVSMYTNQJ-KNXALSJPSA-N 2 0 286.375 2.611 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000435390127 240310409 /nfs/dbraw/zinc/31/04/09/240310409.db2.gz ACUSRAGPVYVFFD-LSDHHAIUSA-N 2 0 260.425 2.924 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCC[NH2+]CC1 ZINC000435431651 240315090 /nfs/dbraw/zinc/31/50/90/240315090.db2.gz JRSVDVOHWXZHMP-INIZCTEOSA-N 2 0 288.435 2.974 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423069134 291345007 /nfs/dbraw/zinc/34/50/07/291345007.db2.gz DHYLXDSNYDWSOL-FJIDUMEYSA-N 2 0 294.483 2.828 20 0 CFADRP CCSCC[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000275797478 193130521 /nfs/dbraw/zinc/13/05/21/193130521.db2.gz OJRDBWRXBNPGMX-UHFFFAOYSA-N 2 0 270.417 2.730 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000442871032 241010190 /nfs/dbraw/zinc/01/01/90/241010190.db2.gz LIKJOQSRADMGCU-AWEZNQCLSA-N 2 0 293.455 2.519 20 0 CFADRP COC1CCC([N@H+](C)CCC[NH+]2CCCCC2)CC1 ZINC000444628884 241157848 /nfs/dbraw/zinc/15/78/48/241157848.db2.gz UPDJJOKNEBTPGC-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCN(C)c2ccccc2)C[C@H]1C ZINC000444297676 241134577 /nfs/dbraw/zinc/13/45/77/241134577.db2.gz ZBPURHCRYLBQHF-SJLPKXTDSA-N 2 0 289.467 2.927 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446827834 241330341 /nfs/dbraw/zinc/33/03/41/241330341.db2.gz QLSWZXBEXANJDS-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C)[C@H]2C)[C@H]1C ZINC000447313662 241366730 /nfs/dbraw/zinc/36/67/30/241366730.db2.gz KODOQTBJQYVTOG-OEXSFMSHSA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446887215 241335942 /nfs/dbraw/zinc/33/59/42/241335942.db2.gz PMZSBQSOALEEJI-RDJZCZTQSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000224234715 189741207 /nfs/dbraw/zinc/74/12/07/189741207.db2.gz AEUNWRGTQDIMQL-DJIMGWMZSA-N 2 0 276.424 2.620 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc2ccoc21 ZINC000449219558 241774670 /nfs/dbraw/zinc/77/46/70/241774670.db2.gz DLWKKOUCVAXPDV-MRXNPFEDSA-N 2 0 290.407 2.879 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCC1 ZINC000449224631 241776082 /nfs/dbraw/zinc/77/60/82/241776082.db2.gz QYYNNBHUCOVQHY-MRXNPFEDSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1ccn2c(C[NH2+]C(C)(C)CCC[NH+](C)C)cnc2c1 ZINC000449525076 242004354 /nfs/dbraw/zinc/00/43/54/242004354.db2.gz ATYVNASWNGLYHM-UHFFFAOYSA-N 2 0 288.439 2.853 20 0 CFADRP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]([NH3+])c1ccccc1 ZINC000449669894 242098921 /nfs/dbraw/zinc/09/89/21/242098921.db2.gz WGTNLPAYGJGHRA-SJCJKPOMSA-N 2 0 295.386 2.564 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(C)(C)C)C[C@H]1C ZINC000674909501 541605304 /nfs/dbraw/zinc/60/53/04/541605304.db2.gz QLQRZGJAPCXVMR-CABCVRRESA-N 2 0 270.461 2.996 20 0 CFADRP CC(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000450266146 242333945 /nfs/dbraw/zinc/33/39/45/242333945.db2.gz OBQPMUOUCWHQSZ-UHFFFAOYSA-N 2 0 274.408 2.663 20 0 CFADRP CCCC[NH+]1CCC(Nc2cc[nH+]c(CC)c2)CC1 ZINC000450285707 242340451 /nfs/dbraw/zinc/34/04/51/242340451.db2.gz MEDOGGALIPCSKR-UHFFFAOYSA-N 2 0 261.413 2.742 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000359928184 294333230 /nfs/dbraw/zinc/33/32/30/294333230.db2.gz ZHFNOSDSPRMYEB-QLFBSQMISA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@@H](C)CCC2(C)C)CC1 ZINC000452011896 243010003 /nfs/dbraw/zinc/01/00/03/243010003.db2.gz RJZUCBPBOQJERD-INIZCTEOSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1(C)CC1 ZINC000124748279 296118677 /nfs/dbraw/zinc/11/86/77/296118677.db2.gz VDKOOIBSSOJSEL-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2ccc(O)cc2CC1 ZINC000675494148 541662380 /nfs/dbraw/zinc/66/23/80/541662380.db2.gz NNUXZMFPFXULGS-QGZVFWFLSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccncc1 ZINC000293656912 296121523 /nfs/dbraw/zinc/12/15/23/296121523.db2.gz IIFCHJYDIKBWCD-OAHLLOKOSA-N 2 0 261.413 2.998 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000675747669 541687342 /nfs/dbraw/zinc/68/73/42/541687342.db2.gz FERYPMNZFZSULV-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCCC2)[C@@H](C)C1 ZINC000675724638 541684755 /nfs/dbraw/zinc/68/47/55/541684755.db2.gz GZHWEXLGERCSOA-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(O)c2)CC1 ZINC000675816749 541698259 /nfs/dbraw/zinc/69/82/59/541698259.db2.gz HGIATIGNPFJTML-CQSZACIVSA-N 2 0 276.424 2.787 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000453383786 243543967 /nfs/dbraw/zinc/54/39/67/243543967.db2.gz MOURHLMRGNLXBG-JYJNAYRXSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000423023758 299393223 /nfs/dbraw/zinc/39/32/23/299393223.db2.gz KMYPZGUWRPMXMD-YJNKXOJESA-N 2 0 268.445 2.700 20 0 CFADRP Cc1occc1C[NH2+]Cc1cnc2ccc(C)cn12 ZINC000676414442 541751406 /nfs/dbraw/zinc/75/14/06/541751406.db2.gz CLFZHRDFWDQUGI-UHFFFAOYSA-N 2 0 255.321 2.834 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C1C[NH2+]C1 ZINC000422872945 296150987 /nfs/dbraw/zinc/15/09/87/296150987.db2.gz JGFJVHXJSJUOBZ-UONOGXRCSA-N 2 0 273.424 2.545 20 0 CFADRP c1cc(O[C@H]2CC[N@@H+](CCOCC3CCCC3)C2)ccn1 ZINC000459349669 245151956 /nfs/dbraw/zinc/15/19/56/245151956.db2.gz NYURAXAKYOFZCY-KRWDZBQOSA-N 2 0 290.407 2.742 20 0 CFADRP CC(C)OC1CC([NH+]2CCC(CC[NH+](C)C)CC2)C1 ZINC000459304709 245130210 /nfs/dbraw/zinc/13/02/10/245130210.db2.gz OBUASSPRDCTHFX-UHFFFAOYSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000459426309 245176294 /nfs/dbraw/zinc/17/62/94/245176294.db2.gz NUGSIRMHFPFHGG-IWCQGFGOSA-N 2 0 258.409 2.862 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000459369246 245158749 /nfs/dbraw/zinc/15/87/49/245158749.db2.gz GDYJMHNAQLXUSR-OKILXGFUSA-N 2 0 279.428 2.831 20 0 CFADRP COc1cccc(C[C@@H]([NH2+][C@H]2CCCN(C)C2)C2CC2)c1 ZINC000677129141 541824344 /nfs/dbraw/zinc/82/43/44/541824344.db2.gz HAHJVGVFGZRCLT-FUHWJXTLSA-N 2 0 288.435 2.700 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000459732063 245289756 /nfs/dbraw/zinc/28/97/56/245289756.db2.gz MAEYDFDRBYXVLX-INIZCTEOSA-N 2 0 298.434 2.694 20 0 CFADRP COc1ccc(F)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459730601 245291788 /nfs/dbraw/zinc/29/17/88/245291788.db2.gz DXZXYJAGWCZBLQ-CYBMUJFWSA-N 2 0 280.387 2.656 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459736601 245294645 /nfs/dbraw/zinc/29/46/45/245294645.db2.gz PZZUXYQOONPWLJ-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459780971 245322526 /nfs/dbraw/zinc/32/25/26/245322526.db2.gz MDUOYGLCHBLUEQ-KBPBESRZSA-N 2 0 250.386 2.532 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000233774236 189820321 /nfs/dbraw/zinc/82/03/21/189820321.db2.gz LKISTORWUGGOPH-HZPDHXFCSA-N 2 0 274.408 2.583 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000011889252 371934308 /nfs/dbraw/zinc/93/43/08/371934308.db2.gz IQKWOJXLPWVVGE-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000011889299 371934762 /nfs/dbraw/zinc/93/47/62/371934762.db2.gz BRSWJBQEIUJSEO-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP [NH3+]C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000011729488 371926845 /nfs/dbraw/zinc/92/68/45/371926845.db2.gz HBNUSUDCCWBXGF-UHFFFAOYSA-N 2 0 252.789 2.696 20 0 CFADRP CC[NH+](CC)CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000035018697 372528734 /nfs/dbraw/zinc/52/87/34/372528734.db2.gz QTKUOPVKSPZXEE-UHFFFAOYSA-N 2 0 286.423 2.694 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000037042952 372641331 /nfs/dbraw/zinc/64/13/31/372641331.db2.gz SIDJABYXNZIPSK-INIZCTEOSA-N 2 0 291.439 2.840 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037643734 372678222 /nfs/dbraw/zinc/67/82/22/372678222.db2.gz DMCAQRONOYCSEA-ZDUSSCGKSA-N 2 0 297.240 2.881 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000037645062 372681008 /nfs/dbraw/zinc/68/10/08/372681008.db2.gz CNDFYMGRYJNHIV-HNNXBMFYSA-N 2 0 269.392 2.666 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(SC)cc2)C1 ZINC000037644251 372682161 /nfs/dbraw/zinc/68/21/61/372682161.db2.gz SUPWKPFEAHSXHM-CQSZACIVSA-N 2 0 264.438 2.840 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000037644598 372682230 /nfs/dbraw/zinc/68/22/30/372682230.db2.gz VYIORWXQRWPHKA-KBPBESRZSA-N 2 0 274.408 2.614 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649112 372683640 /nfs/dbraw/zinc/68/36/40/372683640.db2.gz ZFBSOTBKFYXJCR-CXAGYDPISA-N 2 0 256.393 2.748 20 0 CFADRP CC[C@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1 ZINC000037713303 372691113 /nfs/dbraw/zinc/69/11/13/372691113.db2.gz DMGZXTMGJVMTOR-LBPRGKRZSA-N 2 0 271.202 2.839 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000038010697 372763440 /nfs/dbraw/zinc/76/34/40/372763440.db2.gz KTWRUDZYUSYQOE-JKIFEVAISA-N 2 0 276.424 2.651 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccs1)N1CC[NH+](C)CC1 ZINC000040770084 372786976 /nfs/dbraw/zinc/78/69/76/372786976.db2.gz HCJGMZXWBMRAOA-LSDHHAIUSA-N 2 0 295.496 2.671 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000040770296 372787262 /nfs/dbraw/zinc/78/72/62/372787262.db2.gz DAJAUOGOURHIFR-SJLPKXTDSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000340287199 284353193 /nfs/dbraw/zinc/35/31/93/284353193.db2.gz WPHYKXSCMRSLDR-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000041665350 372857394 /nfs/dbraw/zinc/85/73/94/372857394.db2.gz AQZCKSBGPXCEDA-UKRRQHHQSA-N 2 0 262.397 2.612 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC000042437357 372924887 /nfs/dbraw/zinc/92/48/87/372924887.db2.gz XPPFYWITQFZODL-UHFFFAOYSA-N 2 0 252.789 2.771 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663450 373026739 /nfs/dbraw/zinc/02/67/39/373026739.db2.gz VJNJISDENMAZPI-ZDUSSCGKSA-N 2 0 250.386 2.688 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000045664132 373027058 /nfs/dbraw/zinc/02/70/58/373027058.db2.gz FBNVRKZJICYAQI-CYBMUJFWSA-N 2 0 262.397 2.614 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000045663585 373027630 /nfs/dbraw/zinc/02/76/30/373027630.db2.gz ZWFRSJJPVSSXBM-CYBMUJFWSA-N 2 0 280.412 2.696 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000045664056 373027777 /nfs/dbraw/zinc/02/77/77/373027777.db2.gz SVUZMKPZZWEQKM-AWEZNQCLSA-N 2 0 264.413 2.558 20 0 CFADRP CCOc1cccc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000045598259 373021426 /nfs/dbraw/zinc/02/14/26/373021426.db2.gz JKNLSZQJOCZCCT-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP Cc1nc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCCCC2)no1 ZINC000333649679 205551117 /nfs/dbraw/zinc/55/11/17/205551117.db2.gz JOQBOCGFTHMNLC-CQSZACIVSA-N 2 0 292.427 2.517 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000051756218 373407993 /nfs/dbraw/zinc/40/79/93/373407993.db2.gz LEAMGNDFBMCJCL-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000053659019 373483843 /nfs/dbraw/zinc/48/38/43/373483843.db2.gz DLAJXTVVYWXTQR-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252870478 220229359 /nfs/dbraw/zinc/22/93/59/220229359.db2.gz SJRAQEJRJLWCEB-CWRNSKLLSA-N 2 0 262.372 2.693 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252873208 220229905 /nfs/dbraw/zinc/22/99/05/220229905.db2.gz UNMPWTJQASGQAL-BHYGNILZSA-N 2 0 274.408 2.645 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197694 373794319 /nfs/dbraw/zinc/79/43/19/373794319.db2.gz GQAPAHPNDCACFT-QGZVFWFLSA-N 2 0 258.409 2.959 20 0 CFADRP COc1ccc(F)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000069220938 374052432 /nfs/dbraw/zinc/05/24/32/374052432.db2.gz JDORBOQBDODUDO-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070169619 374135301 /nfs/dbraw/zinc/13/53/01/374135301.db2.gz FDRACIWOXCIXTN-ZDUSSCGKSA-N 2 0 250.361 2.695 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000070169654 374136069 /nfs/dbraw/zinc/13/60/69/374136069.db2.gz IEAIIJUWGXETHG-CQSZACIVSA-N 2 0 262.397 2.564 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000070170723 374136105 /nfs/dbraw/zinc/13/61/05/374136105.db2.gz WKTQTQPCMCMBSG-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000070169419 374136119 /nfs/dbraw/zinc/13/61/19/374136119.db2.gz XRJKHEXGGNOPRX-CYBMUJFWSA-N 2 0 250.361 2.695 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000070188849 374143151 /nfs/dbraw/zinc/14/31/51/374143151.db2.gz PRXJCUGYOAVWRW-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC000070359143 374170120 /nfs/dbraw/zinc/17/01/20/374170120.db2.gz VWTWXWIDXGIRFK-BRWVUGGUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358794 374170301 /nfs/dbraw/zinc/17/03/01/374170301.db2.gz HHBJBPHLYBLYTB-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C[NH+](C)C ZINC000491542368 246077777 /nfs/dbraw/zinc/07/77/77/246077777.db2.gz CVOYGEDLCVOYBC-VYDXJSESSA-N 2 0 275.440 2.895 20 0 CFADRP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000678152680 541964161 /nfs/dbraw/zinc/96/41/61/541964161.db2.gz OQOMVSJWUOGEGA-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510071 374658397 /nfs/dbraw/zinc/65/83/97/374658397.db2.gz OQHNLHCJKZWABD-DZGCQCFKSA-N 2 0 288.435 2.959 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2)[C@H](C)C1 ZINC000081095448 374686533 /nfs/dbraw/zinc/68/65/33/374686533.db2.gz HMVSVCAWULLOCU-CZUORRHYSA-N 2 0 264.388 2.988 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1(C)C ZINC000085380410 374802584 /nfs/dbraw/zinc/80/25/84/374802584.db2.gz TUONMKJSLSKJAQ-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089139888 374872724 /nfs/dbraw/zinc/87/27/24/374872724.db2.gz YFPMMMIPZDEQGZ-GZBFAFLISA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000089145353 374873031 /nfs/dbraw/zinc/87/30/31/374873031.db2.gz CUXZUUDWDAXJNC-ZFWWWQNUSA-N 2 0 264.438 2.886 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089145040 374873648 /nfs/dbraw/zinc/87/36/48/374873648.db2.gz NFQFSHHTUWFTJX-NUEKZKHPSA-N 2 0 276.424 2.733 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000089147271 374875370 /nfs/dbraw/zinc/87/53/70/374875370.db2.gz JJZVIBBXWLGFDJ-DGCLKSJQSA-N 2 0 272.314 2.922 20 0 CFADRP COc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000088163736 374835555 /nfs/dbraw/zinc/83/55/55/374835555.db2.gz VXUQWLQXAWNBPW-MQVJKMGUSA-N 2 0 274.408 2.800 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000089552282 374923478 /nfs/dbraw/zinc/92/34/78/374923478.db2.gz AUXVUHKJZWPHJX-WQGACYEGSA-N 2 0 298.377 2.662 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000089609188 374930161 /nfs/dbraw/zinc/93/01/61/374930161.db2.gz ANEOAVGXYWSCSB-KURKYZTESA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1 ZINC000089722555 374943021 /nfs/dbraw/zinc/94/30/21/374943021.db2.gz UOLURTTWPIKDDG-ANQUJSFKSA-N 2 0 276.424 2.772 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000089749211 374944013 /nfs/dbraw/zinc/94/40/13/374944013.db2.gz CCMSUQAIMVUQRO-GFCCVEGCSA-N 2 0 252.789 2.771 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000091080285 375040052 /nfs/dbraw/zinc/04/00/52/375040052.db2.gz ORXGCODPJDFXSZ-GJZGRUSLSA-N 2 0 276.428 2.648 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CCC1 ZINC000090456940 375015388 /nfs/dbraw/zinc/01/53/88/375015388.db2.gz DKOUAOAAYSNLHR-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)c1ccccn1 ZINC000090706858 375023332 /nfs/dbraw/zinc/02/33/32/375023332.db2.gz YCOHBSSCHCZCKI-WLYUNCDWSA-N 2 0 261.413 2.853 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](CC(C)(C)C)CC2)C[C@H](C)O1 ZINC000092587572 375127418 /nfs/dbraw/zinc/12/74/18/375127418.db2.gz MVDIUZRRWQSKDS-GJZGRUSLSA-N 2 0 282.472 2.854 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093062750 375182149 /nfs/dbraw/zinc/18/21/49/375182149.db2.gz UXUWXEHMVOFWTQ-CQSZACIVSA-N 2 0 264.413 2.763 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccnc1 ZINC000092743038 375148618 /nfs/dbraw/zinc/14/86/18/375148618.db2.gz XREQILHOVAYFPS-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452427 375243139 /nfs/dbraw/zinc/24/31/39/375243139.db2.gz JXKKBDCDWCDOJX-IXDOHACOSA-N 2 0 274.408 2.706 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450971 375244295 /nfs/dbraw/zinc/24/42/95/375244295.db2.gz KQDJSIKTUYXBIV-BBWFWOEESA-N 2 0 258.409 2.739 20 0 CFADRP C[N@@H+](Cc1cc(F)c(F)cc1F)CC1CC[NH+](C)CC1 ZINC000093089295 375185511 /nfs/dbraw/zinc/18/55/11/375185511.db2.gz FTYIGDABAATZIX-UHFFFAOYSA-N 2 0 286.341 2.878 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000093491034 375254568 /nfs/dbraw/zinc/25/45/68/375254568.db2.gz MUYKPXRQPBAIGW-SOUVJXGZSA-N 2 0 279.453 2.852 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CC1 ZINC000093513905 375261495 /nfs/dbraw/zinc/26/14/95/375261495.db2.gz PWULFUVQNGELIK-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc(F)cc2C)CC1 ZINC000094949999 375397004 /nfs/dbraw/zinc/39/70/04/375397004.db2.gz KTPOXXWWVBPALY-UHFFFAOYSA-N 2 0 264.388 2.751 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000093977912 375334503 /nfs/dbraw/zinc/33/45/03/375334503.db2.gz MUAPBOGGVMNDLW-CWRNSKLLSA-N 2 0 274.408 2.973 20 0 CFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000094011529 375335844 /nfs/dbraw/zinc/33/58/44/375335844.db2.gz ISJUEAODZJCTHL-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)CC1CC[NH2+]CC1 ZINC000094024264 375335923 /nfs/dbraw/zinc/33/59/23/375335923.db2.gz KKHLNXJIQZMBJJ-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010116 375335959 /nfs/dbraw/zinc/33/59/59/375335959.db2.gz YLRUXUPXBIRKOR-AWEZNQCLSA-N 2 0 262.422 2.813 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070349 375338256 /nfs/dbraw/zinc/33/82/56/375338256.db2.gz MXFCLYCFMDBSQS-GFCCVEGCSA-N 2 0 298.377 2.856 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000094070353 375338368 /nfs/dbraw/zinc/33/83/68/375338368.db2.gz LVTNDTKJVSPVRS-UHFFFAOYSA-N 2 0 282.815 2.670 20 0 CFADRP Cc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1C ZINC000094069967 375338622 /nfs/dbraw/zinc/33/86/22/375338622.db2.gz GTOWPISXOSPJAF-UHFFFAOYSA-N 2 0 276.424 2.633 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1C ZINC000094069856 375338899 /nfs/dbraw/zinc/33/88/99/375338899.db2.gz COOZIDKGZNJNJB-UHFFFAOYSA-N 2 0 276.424 2.633 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522038 375365218 /nfs/dbraw/zinc/36/52/18/375365218.db2.gz GMQJOFYQCVQJLT-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCN3CCCC3)ccc2n1 ZINC000097861314 375585787 /nfs/dbraw/zinc/58/57/87/375585787.db2.gz FXUFEADXEPZAMM-UHFFFAOYSA-N 2 0 269.392 2.729 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000678285015 542000138 /nfs/dbraw/zinc/00/01/38/542000138.db2.gz LNRKLUXIARZSLW-QGZVFWFLSA-N 2 0 288.435 2.859 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979807 296233761 /nfs/dbraw/zinc/23/37/61/296233761.db2.gz ISRXJECKJMWEDB-ZFWWWQNUSA-N 2 0 292.398 2.574 20 0 CFADRP C[N@@H+](Cc1ccccc1F)CC1CC[NH+](C)CC1 ZINC000104086128 375767243 /nfs/dbraw/zinc/76/72/43/375767243.db2.gz RFXHOTBMDCINDM-UHFFFAOYSA-N 2 0 250.361 2.599 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000104135354 375768907 /nfs/dbraw/zinc/76/89/07/375768907.db2.gz SKEPGMAOGKMSLH-SNVBAGLBSA-N 2 0 254.324 2.524 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000104316645 375778453 /nfs/dbraw/zinc/77/84/53/375778453.db2.gz PKEMIDPJDWOZCK-GWCFXTLKSA-N 2 0 279.453 2.895 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000106868928 375803896 /nfs/dbraw/zinc/80/38/96/375803896.db2.gz KUAZAQSAAASKHH-RCCFBDPRSA-N 2 0 270.420 2.760 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H](C)CO)CC1)CC(C)C ZINC000678634369 542056656 /nfs/dbraw/zinc/05/66/56/542056656.db2.gz GLQFLFZEHGKQLS-INIZCTEOSA-N 2 0 284.488 2.695 20 0 CFADRP Cc1cc(F)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017262 375877236 /nfs/dbraw/zinc/87/72/36/375877236.db2.gz FZYBWYRDFOZYPX-JKSUJKDBSA-N 2 0 262.372 2.851 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(CCOCC)CC2)CC1 ZINC000678774325 542067681 /nfs/dbraw/zinc/06/76/81/542067681.db2.gz HYIJVXZZEPFBRX-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000678774163 542067730 /nfs/dbraw/zinc/06/77/30/542067730.db2.gz FNDJAHWVCQRQFN-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CCCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000118001550 376270761 /nfs/dbraw/zinc/27/07/61/376270761.db2.gz KXFXPKGPEJRBAQ-IRXDYDNUSA-N 2 0 281.488 2.667 20 0 CFADRP CCCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000118001547 376270830 /nfs/dbraw/zinc/27/08/30/376270830.db2.gz KXFXPKGPEJRBAQ-CALCHBBNSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000119088355 376351606 /nfs/dbraw/zinc/35/16/06/376351606.db2.gz GLFUSZDFYKLBRL-ARFHVFGLSA-N 2 0 293.455 2.592 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843438 376319338 /nfs/dbraw/zinc/31/93/38/376319338.db2.gz FIQBINCOKQKGDH-ZACQAIPSSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCC(C)CC1 ZINC000119065207 376346351 /nfs/dbraw/zinc/34/63/51/376346351.db2.gz BQASYFTYIMMXSV-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000119082240 376349919 /nfs/dbraw/zinc/34/99/19/376349919.db2.gz TYNVUAFAPALMSD-UHFFFAOYSA-N 2 0 277.456 2.966 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000119137265 376360598 /nfs/dbraw/zinc/36/05/98/376360598.db2.gz KBRGBCWIROOHMI-ZWKOTPCHSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1C ZINC000119223341 376375094 /nfs/dbraw/zinc/37/50/94/376375094.db2.gz IGOJXWOEKLOKHO-MAUKXSAKSA-N 2 0 298.434 2.504 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000119584105 376438344 /nfs/dbraw/zinc/43/83/44/376438344.db2.gz OGPZWYUDFHTXSL-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119871866 376492600 /nfs/dbraw/zinc/49/26/00/376492600.db2.gz ZHAUTRUQIWBTSH-KEYYUXOJSA-N 2 0 275.440 2.571 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000120188738 376565658 /nfs/dbraw/zinc/56/56/58/376565658.db2.gz PNDBYFZUTZGTFQ-MAUKXSAKSA-N 2 0 290.451 2.779 20 0 CFADRP Cc1nccn1CCCC[N@@H+](C)CCC(F)(F)F ZINC000120416102 376610303 /nfs/dbraw/zinc/61/03/03/376610303.db2.gz DNZIROCHIXTSCN-UHFFFAOYSA-N 2 0 263.307 2.856 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(-n2ccnc2)cc1 ZINC000120490775 376624719 /nfs/dbraw/zinc/62/47/19/376624719.db2.gz GQMOKUYESXCOLH-OAHLLOKOSA-N 2 0 295.390 2.810 20 0 CFADRP COC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C(C)C ZINC000120953961 376732241 /nfs/dbraw/zinc/73/22/41/376732241.db2.gz OXUKUMAGMKMFIO-MRXNPFEDSA-N 2 0 282.403 2.648 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000679092674 542120280 /nfs/dbraw/zinc/12/02/80/542120280.db2.gz QQUDUBWGXZYRJP-YOEHRIQHSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000571669294 383716055 /nfs/dbraw/zinc/71/60/55/383716055.db2.gz DWZFSOZGUVHMSB-KGLIPLIRSA-N 2 0 250.386 2.561 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCOc1cc(C)ccc1C ZINC000124950341 377104298 /nfs/dbraw/zinc/10/42/98/377104298.db2.gz DDTZFXWSTFLMOA-UHFFFAOYSA-N 2 0 264.413 2.614 20 0 CFADRP Cc1nccn1CCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000125481221 377161061 /nfs/dbraw/zinc/16/10/61/377161061.db2.gz JLSOSBJJVFRFAM-UHFFFAOYSA-N 2 0 292.471 2.635 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CCOCC1 ZINC000126023121 377208513 /nfs/dbraw/zinc/20/85/13/377208513.db2.gz NIKLEZREIFLLRY-ZFWWWQNUSA-N 2 0 270.461 2.758 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000126083806 377211319 /nfs/dbraw/zinc/21/13/19/377211319.db2.gz IMQOHIMTYLOBPY-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000126422344 377229084 /nfs/dbraw/zinc/22/90/84/377229084.db2.gz QGIRBUDAWBKJPA-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000127316156 377275793 /nfs/dbraw/zinc/27/57/93/377275793.db2.gz NKGWCISIWGXLOQ-SJORKVTESA-N 2 0 289.467 2.590 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000127461150 377284226 /nfs/dbraw/zinc/28/42/26/377284226.db2.gz BWPBAQCQTKHPPJ-GUTXKFCHSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H](CCC1CCCC1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128626462 377348893 /nfs/dbraw/zinc/34/88/93/377348893.db2.gz DKWHWWRLCDVFCT-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128711024 377353712 /nfs/dbraw/zinc/35/37/12/377353712.db2.gz FICXVDNSJSLWAP-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000129228605 377400931 /nfs/dbraw/zinc/40/09/31/377400931.db2.gz LWQVTACDZYPGPR-LLVKDONJSA-N 2 0 256.752 2.711 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000129317481 377412044 /nfs/dbraw/zinc/41/20/44/377412044.db2.gz PWNNJDMZRPCKAC-OCCSQVGLSA-N 2 0 250.361 2.927 20 0 CFADRP COc1ccccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129689734 377460791 /nfs/dbraw/zinc/46/07/91/377460791.db2.gz HPCNGIGMPSJTHL-IHRRRGAJSA-N 2 0 262.397 2.829 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000349697977 284640290 /nfs/dbraw/zinc/64/02/90/284640290.db2.gz WZRKGDNLGFRRTN-HRCADAONSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000130253252 377528486 /nfs/dbraw/zinc/52/84/86/377528486.db2.gz HFWCSHHNRUIEKY-QGZVFWFLSA-N 2 0 289.467 2.592 20 0 CFADRP COCC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000679575810 542210633 /nfs/dbraw/zinc/21/06/33/542210633.db2.gz RVOICSWJVMMPBD-ZFWWWQNUSA-N 2 0 280.412 2.677 20 0 CFADRP COCC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000679575806 542210839 /nfs/dbraw/zinc/21/08/39/542210839.db2.gz RVOICSWJVMMPBD-HIFRSBDPSA-N 2 0 280.412 2.677 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)N(C)C1CC1 ZINC000130827821 377618483 /nfs/dbraw/zinc/61/84/83/377618483.db2.gz RNQAERZFHQXHIX-CJNGLKHVSA-N 2 0 258.409 2.616 20 0 CFADRP CCOCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000131483974 377717510 /nfs/dbraw/zinc/71/75/10/377717510.db2.gz CCLDGMFKCPSCGX-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[N@H+](CCn1ccnc1)Cc1cc2ccccc2o1 ZINC000131576986 377732170 /nfs/dbraw/zinc/73/21/70/377732170.db2.gz REOKMINHNMSFBW-UHFFFAOYSA-N 2 0 255.321 2.761 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131940366 377782302 /nfs/dbraw/zinc/78/23/02/377782302.db2.gz PDUPONAGTCAVJD-JKSUJKDBSA-N 2 0 262.397 2.784 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000132052248 377796631 /nfs/dbraw/zinc/79/66/31/377796631.db2.gz NGCYPVLYYRANHZ-HLLBOEOZSA-N 2 0 275.440 2.807 20 0 CFADRP CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132736419 377872258 /nfs/dbraw/zinc/87/22/58/377872258.db2.gz CZPNLHFKRRQUDD-AWEZNQCLSA-N 2 0 276.424 2.531 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)CC(C)C ZINC000132921187 377887480 /nfs/dbraw/zinc/88/74/80/377887480.db2.gz YLEOOSCAQQFHSW-BBWFWOEESA-N 2 0 283.504 2.673 20 0 CFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@H](C)C1 ZINC000133033800 377897115 /nfs/dbraw/zinc/89/71/15/377897115.db2.gz VFJQSVBFYRWSBM-QAPCUYQASA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1C ZINC000133342270 377923010 /nfs/dbraw/zinc/92/30/10/377923010.db2.gz SNJDDGBRIUMTLK-HNNXBMFYSA-N 2 0 264.413 2.809 20 0 CFADRP CC(C)c1nccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000133747736 377953981 /nfs/dbraw/zinc/95/39/81/377953981.db2.gz SEFFXZPUVUGJPD-KGLIPLIRSA-N 2 0 274.412 2.521 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000134411700 378011475 /nfs/dbraw/zinc/01/14/75/378011475.db2.gz FYJJWDGMAUHBEX-RISCZKNCSA-N 2 0 284.350 2.718 20 0 CFADRP Oc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134039734 377978212 /nfs/dbraw/zinc/97/82/12/377978212.db2.gz LTQURHQYMQPDDX-UHFFFAOYSA-N 2 0 274.408 2.700 20 0 CFADRP CC[C@]1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCC[NH2+]1 ZINC000134613157 378038626 /nfs/dbraw/zinc/03/86/26/378038626.db2.gz OKQFWSHBYXOAQE-QGZVFWFLSA-N 2 0 289.423 2.527 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134936068 378067043 /nfs/dbraw/zinc/06/70/43/378067043.db2.gz NCTIWMQISCTKFJ-NVXWUHKLSA-N 2 0 280.456 2.750 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529537392 383724313 /nfs/dbraw/zinc/72/43/13/383724313.db2.gz FIODANZNXNCRGK-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000679750977 542234153 /nfs/dbraw/zinc/23/41/53/542234153.db2.gz KUTVECVAWOGRNO-QGZVFWFLSA-N 2 0 290.451 2.779 20 0 CFADRP COCc1cccc(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000135175191 378095233 /nfs/dbraw/zinc/09/52/33/378095233.db2.gz WUVQGWFIZDGTKG-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529537393 383726027 /nfs/dbraw/zinc/72/60/27/383726027.db2.gz FIODANZNXNCRGK-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP COC[C@H](C)[NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600431 378204129 /nfs/dbraw/zinc/20/41/29/378204129.db2.gz WGIJPDYIYIQBQQ-ZMSDIMECSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC(F)(F)C1 ZINC000529540565 383727187 /nfs/dbraw/zinc/72/71/87/383727187.db2.gz FGJIYHDTXJPHJU-WCFLWFBJSA-N 2 0 260.372 2.883 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)[C@H]2C1 ZINC000529541948 383727298 /nfs/dbraw/zinc/72/72/98/383727298.db2.gz NDTGUBDBRUYSDA-WBVHZDCISA-N 2 0 269.392 2.694 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000135829364 378165767 /nfs/dbraw/zinc/16/57/67/378165767.db2.gz FCVXTKJYIZNSRD-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP CC1CC[NH+](CC(=O)Nc2ccc(-c3ncc[nH]3)cc2)CC1 ZINC000137482850 378224755 /nfs/dbraw/zinc/22/47/55/378224755.db2.gz XJVLZKHVKNZWOW-UHFFFAOYSA-N 2 0 298.390 2.747 20 0 CFADRP C[C@@H]1C[C@H](NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1C ZINC000151082403 378291079 /nfs/dbraw/zinc/29/10/79/378291079.db2.gz QWFUFPQGAVRFJT-ARFHVFGLSA-N 3 0 281.488 2.569 20 0 CFADRP C[C@H]([NH2+]Cc1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151076400 378291172 /nfs/dbraw/zinc/29/11/72/378291172.db2.gz ZPVNWLIZLZYCJD-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP CC[C@H](CO)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000151828578 378362550 /nfs/dbraw/zinc/36/25/50/378362550.db2.gz RTKPTNJTHZEEBJ-IUODEOHRSA-N 2 0 273.380 2.602 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000152031423 378386546 /nfs/dbraw/zinc/38/65/46/378386546.db2.gz SHHSIGHQVOKVRL-ZBFHGGJFSA-N 2 0 260.425 2.894 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2CCCC2)CC1 ZINC000153934951 378524747 /nfs/dbraw/zinc/52/47/47/378524747.db2.gz TXIXIIXYRMIUQU-IRXDYDNUSA-N 2 0 293.499 2.667 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000153254710 378482522 /nfs/dbraw/zinc/48/25/22/378482522.db2.gz YJILXEIZFPOMLY-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000153730073 378508316 /nfs/dbraw/zinc/50/83/16/378508316.db2.gz VPGKWRJSRHTYLJ-MRXNPFEDSA-N 2 0 292.467 2.911 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccs1 ZINC000154377441 378561527 /nfs/dbraw/zinc/56/15/27/378561527.db2.gz AWFLVBSUUPJINA-HNNXBMFYSA-N 2 0 295.496 2.816 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC000154752570 378593049 /nfs/dbraw/zinc/59/30/49/378593049.db2.gz NPDUEFJPQSAVIY-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)OCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154744884 378593158 /nfs/dbraw/zinc/59/31/58/378593158.db2.gz JYLGAQAALCHPQT-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(CO)cc1 ZINC000157922682 378661512 /nfs/dbraw/zinc/66/15/12/378661512.db2.gz UFYKKEXFTVGIPA-OAHLLOKOSA-N 2 0 276.424 2.533 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159044523 378682049 /nfs/dbraw/zinc/68/20/49/378682049.db2.gz MCUHYWOXFIVFOE-HUUCEWRRSA-N 2 0 286.419 2.627 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000159195193 378692409 /nfs/dbraw/zinc/69/24/09/378692409.db2.gz RIELYGLANVSXOE-AWEZNQCLSA-N 2 0 294.414 2.977 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccncc2Cl)C1 ZINC000529568522 383731758 /nfs/dbraw/zinc/73/17/58/383731758.db2.gz AKMVPXNEBNPAIN-ZFWWWQNUSA-N 2 0 279.815 2.651 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000331800579 378716400 /nfs/dbraw/zinc/71/64/00/378716400.db2.gz JWYBQTIYPMJWFI-QJPTWQEYSA-N 2 0 279.453 2.942 20 0 CFADRP Fc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278533270 194030403 /nfs/dbraw/zinc/03/04/03/194030403.db2.gz VLLDPUWVFPWUAX-UHFFFAOYSA-N 2 0 262.372 2.790 20 0 CFADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162938669 378944509 /nfs/dbraw/zinc/94/45/09/378944509.db2.gz XQCFHPFOKGJSQY-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163254057 378962194 /nfs/dbraw/zinc/96/21/94/378962194.db2.gz OMWUUWFOPSPADP-UKRRQHHQSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccn1)c1cncs1 ZINC000163809728 378991334 /nfs/dbraw/zinc/99/13/34/378991334.db2.gz QWGQRBFTYXQIIR-NSHDSACASA-N 2 0 262.382 2.691 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1csc(C3CC3)n1)CC[NH2+]CC2 ZINC000335275631 379008974 /nfs/dbraw/zinc/00/89/74/379008974.db2.gz COGLSHOGNQDDML-LBPRGKRZSA-N 2 0 291.464 2.985 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H](C)C1 ZINC000334265329 379002085 /nfs/dbraw/zinc/00/20/85/379002085.db2.gz MGTFNASKINRAHZ-AAEUAGOBSA-N 2 0 260.372 2.884 20 0 CFADRP Clc1oc2ccccc2c1CNC1CC[NH2+]CC1 ZINC000335278834 379015880 /nfs/dbraw/zinc/01/58/80/379015880.db2.gz QWCDTMSWMYUARF-UHFFFAOYSA-N 2 0 264.756 2.928 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)CC[N@@H+]1C ZINC000164685426 379021567 /nfs/dbraw/zinc/02/15/67/379021567.db2.gz UYDFVEUVNFPGNZ-NWDGAFQWSA-N 2 0 268.351 2.580 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165337009 379037254 /nfs/dbraw/zinc/03/72/54/379037254.db2.gz ICDWSGAXJRMFHB-AEFFLSMTSA-N 2 0 290.451 2.566 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccccc1 ZINC000165958598 379046632 /nfs/dbraw/zinc/04/66/32/379046632.db2.gz AGJOAXTXXRUKFG-HOCLYGCPSA-N 2 0 264.413 2.694 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000166037062 379049046 /nfs/dbraw/zinc/04/90/46/379049046.db2.gz OIZNLSNLVZOULL-XJKSGUPXSA-N 2 0 282.403 2.833 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)N(C3CC3)C1)CC2 ZINC000166261576 379051406 /nfs/dbraw/zinc/05/14/06/379051406.db2.gz QHVQNNWSAQUMIS-WPKBUWHJSA-N 2 0 286.419 2.897 20 0 CFADRP c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166765181 379062578 /nfs/dbraw/zinc/06/25/78/379062578.db2.gz PJFFGSTVDQXMGS-TVFCKZIOSA-N 2 0 286.419 2.733 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000169781445 379110694 /nfs/dbraw/zinc/11/06/94/379110694.db2.gz ITCQVYSQONNVQC-OAHLLOKOSA-N 2 0 262.397 2.752 20 0 CFADRP Cc1nccn1CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000334336975 379115904 /nfs/dbraw/zinc/11/59/04/379115904.db2.gz UMMOUQLOTVXTKM-UHFFFAOYSA-N 2 0 279.453 2.943 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccnc1 ZINC000171127193 379237140 /nfs/dbraw/zinc/23/71/40/379237140.db2.gz JHVITONZUSWJAY-AWEZNQCLSA-N 2 0 269.392 2.994 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335451649 379320003 /nfs/dbraw/zinc/32/00/03/379320003.db2.gz JXCUIVFLOBSJNR-HOCLYGCPSA-N 2 0 273.424 2.758 20 0 CFADRP C[C@@H]1CN(CCc2c(F)cccc2Cl)CC[C@H]1[NH3+] ZINC000334591304 379587432 /nfs/dbraw/zinc/58/74/32/379587432.db2.gz JBKQXRJVUOGDCF-QMTHXVAHSA-N 2 0 270.779 2.691 20 0 CFADRP C[C@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000334591334 379587455 /nfs/dbraw/zinc/58/74/55/379587455.db2.gz KGXPMCMYUNEAIR-OAHLLOKOSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000335606068 379593506 /nfs/dbraw/zinc/59/35/06/379593506.db2.gz CUXNJJQCCIYSKD-WPRPVWTQSA-N 2 0 289.242 2.550 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000335606044 379594413 /nfs/dbraw/zinc/59/44/13/379594413.db2.gz CUXNJJQCCIYSKD-PSASIEDQSA-N 2 0 289.242 2.550 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000335633579 379632324 /nfs/dbraw/zinc/63/23/24/379632324.db2.gz KLRHHVQAPQOYRD-UONOGXRCSA-N 2 0 250.411 2.570 20 0 CFADRP Cc1nc2ccc(CN[C@@H]3CC[NH2+]C3(C)C)cc2s1 ZINC000335645166 379653608 /nfs/dbraw/zinc/65/36/08/379653608.db2.gz BJGKHZDTNMCVRE-CQSZACIVSA-N 2 0 275.421 2.835 20 0 CFADRP Fc1cc(Cl)ccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335654111 379668995 /nfs/dbraw/zinc/66/89/95/379668995.db2.gz JMYALKOWPVZISF-FUNVUKJBSA-N 2 0 268.763 2.852 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[N@@H+]1C ZINC000335716189 379773479 /nfs/dbraw/zinc/77/34/79/379773479.db2.gz DZZMBROAQJZSIT-TZMCWYRMSA-N 2 0 287.382 2.946 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000335719753 379780705 /nfs/dbraw/zinc/78/07/05/379780705.db2.gz JZVNFAVFXLEDPL-OALUTQOASA-N 2 0 293.414 2.790 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698579 379786708 /nfs/dbraw/zinc/78/67/08/379786708.db2.gz KNLZAMMWLCDEKN-USSHROBNSA-N 3 0 293.499 2.889 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)ccc2O1 ZINC000334771090 379919016 /nfs/dbraw/zinc/91/90/16/379919016.db2.gz PFTNDTNVVMXEGD-AWEZNQCLSA-N 2 0 274.408 2.571 20 0 CFADRP Cc1nsc(C)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000571937452 383741080 /nfs/dbraw/zinc/74/10/80/383741080.db2.gz XXJLOSWENMANEC-GWCFXTLKSA-N 2 0 267.442 2.674 20 0 CFADRP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000432353578 383741274 /nfs/dbraw/zinc/74/12/74/383741274.db2.gz NFHQIAIXQMSAMM-INIZCTEOSA-N 2 0 290.451 2.894 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3cccc(F)c3C2)CC[NH2+]1 ZINC000334857837 379934497 /nfs/dbraw/zinc/93/44/97/379934497.db2.gz OWUSXWQGEKOOJY-QWHCGFSZSA-N 2 0 262.372 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335015465 379956491 /nfs/dbraw/zinc/95/64/91/379956491.db2.gz YYDQMNWBTXQZKP-RDJZCZTQSA-N 2 0 258.409 2.794 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CNCC[C@@H]3C)CC2)CC1 ZINC000335018372 379957297 /nfs/dbraw/zinc/95/72/97/379957297.db2.gz GPMNAMIXLUXUKH-FCCDEINASA-N 2 0 293.499 2.617 20 0 CFADRP Brc1cccc2c1CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335039196 379960753 /nfs/dbraw/zinc/96/07/53/379960753.db2.gz ADLWVPCBQUPWCH-CQSZACIVSA-N 2 0 295.224 2.778 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1[NH3+] ZINC000335857142 380003983 /nfs/dbraw/zinc/00/39/83/380003983.db2.gz BLVQFRIAYKCQJU-KBXCAEBGSA-N 2 0 281.403 2.918 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000335241688 380065478 /nfs/dbraw/zinc/06/54/78/380065478.db2.gz UYAKIIGUGRCCBA-RDJZCZTQSA-N 2 0 292.398 2.544 20 0 CFADRP C[C@H]1C[C@@H](NCc2sccc2Br)CC[NH2+]1 ZINC000335256820 380093257 /nfs/dbraw/zinc/09/32/57/380093257.db2.gz GILSKKRZKMLPOK-IUCAKERBSA-N 2 0 289.242 2.741 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC000335258917 380096101 /nfs/dbraw/zinc/09/61/01/380096101.db2.gz WAYWGFRQSGQQSQ-OLZOCXBDSA-N 2 0 262.372 2.572 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc2cccnc12 ZINC000335260647 380098349 /nfs/dbraw/zinc/09/83/49/380098349.db2.gz NZAJFKKXSUVIGQ-BBRMVZONSA-N 2 0 269.392 2.773 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1Cl ZINC000335262353 380101134 /nfs/dbraw/zinc/10/11/34/380101134.db2.gz HJTPZBHBCBGKLB-UHFFFAOYSA-N 2 0 252.789 2.832 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645776926 383743124 /nfs/dbraw/zinc/74/31/24/383743124.db2.gz AAGYODLTCQLNPJ-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP c1cnc2c(c1)cccc2C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336128227 380271388 /nfs/dbraw/zinc/27/13/88/380271388.db2.gz WIUGCQQALBGFDO-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP CSC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000336371418 380332996 /nfs/dbraw/zinc/33/29/96/380332996.db2.gz FLIKCAJCWCFHEZ-CQSZACIVSA-N 2 0 268.470 2.690 20 0 CFADRP CCc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc[nH+]1 ZINC000336190741 380284719 /nfs/dbraw/zinc/28/47/19/380284719.db2.gz ZHYRTNKHYNIYKZ-CZUORRHYSA-N 2 0 259.397 2.565 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCO2 ZINC000336226159 380290894 /nfs/dbraw/zinc/29/08/94/380290894.db2.gz LZEPQMQEMBEBBM-FHERZECASA-N 2 0 278.440 2.695 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)CC(C)C ZINC000422825141 284824837 /nfs/dbraw/zinc/82/48/37/284824837.db2.gz JBTJOBDIVHQNMG-YESZJQIVSA-N 2 0 283.504 2.721 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000177206939 380314935 /nfs/dbraw/zinc/31/49/35/380314935.db2.gz DTGIYKDAFRBDRZ-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC000177774638 380377805 /nfs/dbraw/zinc/37/78/05/380377805.db2.gz WAYAHYUOOMBOBR-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CSCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000336544592 380444104 /nfs/dbraw/zinc/44/41/04/380444104.db2.gz UJPYMIBWFRIBHO-UONOGXRCSA-N 2 0 256.459 2.546 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000178382780 380445299 /nfs/dbraw/zinc/44/52/99/380445299.db2.gz JPMBRVMUTCSCKW-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000336547279 380449036 /nfs/dbraw/zinc/44/90/36/380449036.db2.gz QLICFWPXVJNIMU-UHFFFAOYSA-N 2 0 276.428 2.524 20 0 CFADRP COCCC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000178098940 380410026 /nfs/dbraw/zinc/41/00/26/380410026.db2.gz SFRFIDSBKKBUMR-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000178829318 380488187 /nfs/dbraw/zinc/48/81/87/380488187.db2.gz AYRDZCZHXKWLBH-QGZVFWFLSA-N 2 0 297.402 2.695 20 0 CFADRP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178974140 380495845 /nfs/dbraw/zinc/49/58/45/380495845.db2.gz BAEKQVVUXAWJKA-GOSISDBHSA-N 2 0 290.451 2.505 20 0 CFADRP Cc1ccc(C[C@H](C)[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000178974322 380497749 /nfs/dbraw/zinc/49/77/49/380497749.db2.gz MOMAMSRQWWDMCE-HNNXBMFYSA-N 2 0 260.425 2.857 20 0 CFADRP COCC1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000449067084 284833681 /nfs/dbraw/zinc/83/36/81/284833681.db2.gz IBPGSWIZFZGOCF-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000178731788 380480762 /nfs/dbraw/zinc/48/07/62/380480762.db2.gz VIFJUFSOZDSCSK-ZDUSSCGKSA-N 2 0 278.444 2.501 20 0 CFADRP C1CC1[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000178741153 380482220 /nfs/dbraw/zinc/48/22/20/380482220.db2.gz GJAUXDTVSPSZQW-INIZCTEOSA-N 2 0 291.483 2.610 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000336626007 380569502 /nfs/dbraw/zinc/56/95/02/380569502.db2.gz HXMNTUWVXCWFEA-HNNXBMFYSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000336786038 380630957 /nfs/dbraw/zinc/63/09/57/380630957.db2.gz AZCCROAIOSHSKE-SNVBAGLBSA-N 2 0 260.303 2.922 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)CC(C)(C)O ZINC000180198457 380631566 /nfs/dbraw/zinc/63/15/66/380631566.db2.gz FCCADXHCLXYNRG-KRWDZBQOSA-N 2 0 290.451 2.744 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(OC)cc1 ZINC000336786180 380631970 /nfs/dbraw/zinc/63/19/70/380631970.db2.gz BGIONHWVIOCOHF-IUODEOHRSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H](O)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336659442 380586949 /nfs/dbraw/zinc/58/69/49/380586949.db2.gz XSJFSNXYVSXWQP-SJLPKXTDSA-N 2 0 290.451 2.601 20 0 CFADRP CC(C)SCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336686486 380592441 /nfs/dbraw/zinc/59/24/41/380592441.db2.gz DWBNXZRSWWYRER-AWEZNQCLSA-N 2 0 258.475 2.934 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000179910092 380596355 /nfs/dbraw/zinc/59/63/55/380596355.db2.gz MKUIFJXGUKGORM-KURKYZTESA-N 2 0 295.515 2.913 20 0 CFADRP COC(C)(C)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336783623 380628109 /nfs/dbraw/zinc/62/81/09/380628109.db2.gz COJLHWMPDZYJEM-AWEZNQCLSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000336805938 380662866 /nfs/dbraw/zinc/66/28/66/380662866.db2.gz XPONCWUHEAOLMC-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000336810336 380670358 /nfs/dbraw/zinc/67/03/58/380670358.db2.gz ZPEJVIOMAODBBF-INIZCTEOSA-N 2 0 268.445 2.644 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000336815597 380676773 /nfs/dbraw/zinc/67/67/73/380676773.db2.gz IFOYFABMMLWYCB-NSHDSACASA-N 2 0 272.339 2.895 20 0 CFADRP C[N@H+](CCC1CCOCC1)CC[C@H]1CCCC[NH+]1C ZINC000336817244 380679055 /nfs/dbraw/zinc/67/90/55/380679055.db2.gz PIXJLXUMGCGVBL-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000336820205 380684709 /nfs/dbraw/zinc/68/47/09/380684709.db2.gz CCNOAXGHGSPJDE-AWEZNQCLSA-N 2 0 289.404 2.542 20 0 CFADRP CC(C)c1nc(CN(C)CCCn2ccnc2)cs1 ZINC000181112298 380741504 /nfs/dbraw/zinc/74/15/04/380741504.db2.gz UXGHVKONONVZCU-UHFFFAOYSA-N 2 0 278.425 2.985 20 0 CFADRP CC[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000181123400 380744063 /nfs/dbraw/zinc/74/40/63/380744063.db2.gz BXIRJJZAGYPVTO-QGZVFWFLSA-N 2 0 289.467 2.535 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000341171045 380814648 /nfs/dbraw/zinc/81/46/48/380814648.db2.gz LBVYKYZFNPSLHH-UHFFFAOYSA-N 2 0 250.361 2.599 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCc2ccccc2)CC1 ZINC000341184630 380821735 /nfs/dbraw/zinc/82/17/35/380821735.db2.gz LAVCUFUHKWIJPD-UHFFFAOYSA-N 2 0 260.425 2.893 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[C@@H]1CCOC1 ZINC000402101246 380880040 /nfs/dbraw/zinc/88/00/40/380880040.db2.gz PFTXNSKQAZRRLF-TWMKSMIVSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([C@H]1CC[NH2+]C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000400697356 380864600 /nfs/dbraw/zinc/86/46/00/380864600.db2.gz BGQOZJCESZXVLA-YJBOKZPZSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400973653 380866052 /nfs/dbraw/zinc/86/60/52/380866052.db2.gz QQFRVEPGXJQODD-LAVFITLUSA-N 2 0 272.436 2.985 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000287557682 380866197 /nfs/dbraw/zinc/86/61/97/380866197.db2.gz QACTXHBCMQHEPA-IRXDYDNUSA-N 2 0 273.424 2.539 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000181699877 380866888 /nfs/dbraw/zinc/86/68/88/380866888.db2.gz LASCLLFYNQXFGV-HRCADAONSA-N 2 0 282.472 2.900 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000181699911 380867074 /nfs/dbraw/zinc/86/70/74/380867074.db2.gz LASCLLFYNQXFGV-ARFHVFGLSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000400983515 380867454 /nfs/dbraw/zinc/86/74/54/380867454.db2.gz VJMVUEFUQRRKCR-FPCVCCKLSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401019499 380867468 /nfs/dbraw/zinc/86/74/68/380867468.db2.gz KBECPZZQMYSGOM-DUFGSWQCSA-N 2 0 276.399 2.734 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400920636 380867656 /nfs/dbraw/zinc/86/76/56/380867656.db2.gz FRUKJABWDVLEHL-JONQDZQNSA-N 2 0 250.430 2.933 20 0 CFADRP Fc1ccc(C[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000347003409 380867932 /nfs/dbraw/zinc/86/79/32/380867932.db2.gz LFAUWLTVQPHSQC-HZPDHXFCSA-N 2 0 276.399 2.690 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000347003953 380868841 /nfs/dbraw/zinc/86/88/41/380868841.db2.gz AFGITVCWHUEHLM-RHSMWYFYSA-N 2 0 276.424 2.891 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347004000 380869093 /nfs/dbraw/zinc/86/90/93/380869093.db2.gz APMBBIPKFHBKDH-ZBFHGGJFSA-N 2 0 298.434 2.740 20 0 CFADRP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401048738 380869226 /nfs/dbraw/zinc/86/92/26/380869226.db2.gz XGINOPWBEWXYDU-TUVASFSCSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347003996 380869472 /nfs/dbraw/zinc/86/94/72/380869472.db2.gz APMBBIPKFHBKDH-GOEBONIOSA-N 2 0 298.434 2.740 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000401108354 380869599 /nfs/dbraw/zinc/86/95/99/380869599.db2.gz FZFADSKQRUCRSM-CYUUQNCZSA-N 2 0 292.398 2.873 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347010177 380877290 /nfs/dbraw/zinc/87/72/90/380877290.db2.gz GBOVQZIYBGNVJX-VXGBXAGGSA-N 2 0 290.436 2.697 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccsc2C)C1 ZINC000295411163 380835820 /nfs/dbraw/zinc/83/58/20/380835820.db2.gz ROURIFXXRHSCFC-CYBMUJFWSA-N 2 0 252.427 2.830 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000346980645 380840559 /nfs/dbraw/zinc/84/05/59/380840559.db2.gz MHAJRCNFMOFNLC-AEFFLSMTSA-N 2 0 287.451 2.587 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346982174 380844616 /nfs/dbraw/zinc/84/46/16/380844616.db2.gz NKTAJBYZQONZTC-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)([NH3+])CN(CCc1ccc(F)cc1)C1CC1 ZINC000346982270 380845452 /nfs/dbraw/zinc/84/54/52/380845452.db2.gz NUYULTXCUQUUNP-UHFFFAOYSA-N 2 0 250.361 2.570 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000346991452 380855481 /nfs/dbraw/zinc/85/54/81/380855481.db2.gz XFAXKMNYJBACLB-KGLIPLIRSA-N 2 0 299.503 2.636 20 0 CFADRP C[C@H](CCN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000400514597 380861824 /nfs/dbraw/zinc/86/18/24/380861824.db2.gz GEKJYFVLUMXLEX-SOLBZPMBSA-N 2 0 289.467 2.627 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347082377 380928055 /nfs/dbraw/zinc/92/80/55/380928055.db2.gz YTCOKAIIOYFAHP-MRXNPFEDSA-N 2 0 281.403 2.790 20 0 CFADRP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358495813 380882002 /nfs/dbraw/zinc/88/20/02/380882002.db2.gz HTUOILWCNIOWPE-GFCCVEGCSA-N 2 0 292.427 2.504 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)c2ccccc21 ZINC000402180991 380882470 /nfs/dbraw/zinc/88/24/70/380882470.db2.gz ACYIIAYCOMNXME-APHBMKBZSA-N 2 0 260.381 2.538 20 0 CFADRP CSC1(C[NH+]2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000368016185 380886597 /nfs/dbraw/zinc/88/65/97/380886597.db2.gz FEAYRQLYCWJKDW-UHFFFAOYSA-N 2 0 268.470 2.879 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000347035967 380896188 /nfs/dbraw/zinc/89/61/88/380896188.db2.gz DTYMEFFFJYPXPR-HOCLYGCPSA-N 2 0 298.434 2.944 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000347046489 380904235 /nfs/dbraw/zinc/90/42/35/380904235.db2.gz OGCHNUXKWAVWCJ-SNVBAGLBSA-N 2 0 287.329 2.660 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000347057367 380911304 /nfs/dbraw/zinc/91/13/04/380911304.db2.gz VVHOKYRWTRHUNP-CYBMUJFWSA-N 2 0 284.407 2.636 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347068063 380918069 /nfs/dbraw/zinc/91/80/69/380918069.db2.gz NKVVBCBKQXOHQA-INIZCTEOSA-N 2 0 281.403 2.919 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181962339 380951300 /nfs/dbraw/zinc/95/13/00/380951300.db2.gz ANBADVOVNAMNGD-CZUORRHYSA-N 2 0 292.398 2.971 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000181962169 380951336 /nfs/dbraw/zinc/95/13/36/380951336.db2.gz ZWHDBNGMAHUNNX-ZFWWWQNUSA-N 2 0 289.423 2.637 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000368242578 380967597 /nfs/dbraw/zinc/96/75/97/380967597.db2.gz NKRFJFNDDAJILK-QTMHVTGLSA-N 2 0 282.431 2.959 20 0 CFADRP CCc1nc(C)cc(N2CC[C@H](C)[C@H](n3ccnc3)C2)n1 ZINC000287949066 380978617 /nfs/dbraw/zinc/97/86/17/380978617.db2.gz RYYJUEVMUQBRQP-GXTWGEPZSA-N 2 0 285.395 2.631 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000347170015 380982746 /nfs/dbraw/zinc/98/27/46/380982746.db2.gz MTHWYCVJABQBAO-ZRMMWKCHSA-N 2 0 262.372 2.898 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347171980 380983068 /nfs/dbraw/zinc/98/30/68/380983068.db2.gz NYNHELYEHMLWRM-OAHLLOKOSA-N 2 0 267.376 2.529 20 0 CFADRP COc1ccc2ccccc2c1CN(C)[C@@H](C)C[NH3+] ZINC000347097387 380935413 /nfs/dbraw/zinc/93/54/13/380935413.db2.gz IJCYOQFKLSSCLA-LBPRGKRZSA-N 2 0 258.365 2.627 20 0 CFADRP COc1nc(C)cc(C)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000287802111 380942122 /nfs/dbraw/zinc/94/21/22/380942122.db2.gz OOKWXSCSHUUVCZ-OAHLLOKOSA-N 2 0 291.439 2.623 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CCCC(=O)OC(C)(C)C)C1 ZINC000181943511 380943342 /nfs/dbraw/zinc/94/33/42/380943342.db2.gz OIOGNNBLOWAIHU-OAHLLOKOSA-N 2 0 298.471 2.772 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353954560 380984322 /nfs/dbraw/zinc/98/43/22/380984322.db2.gz JRJBFIVGIWGLNM-QWRGUYRKSA-N 2 0 264.335 2.649 20 0 CFADRP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368451778 381029583 /nfs/dbraw/zinc/02/95/83/381029583.db2.gz VIORBEYZSUDQPK-WCXIOVBPSA-N 2 0 282.472 2.758 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000347185975 380989664 /nfs/dbraw/zinc/98/96/64/380989664.db2.gz ZCWKIDWYCXQVRB-UHFFFAOYSA-N 2 0 298.434 2.612 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000353969939 380990131 /nfs/dbraw/zinc/99/01/31/380990131.db2.gz AKGOGWLZHVPPKL-MXWKQRLJSA-N 2 0 264.335 2.647 20 0 CFADRP CCCN(Cc1cc(C)c(OC)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000347184807 380990594 /nfs/dbraw/zinc/99/05/94/380990594.db2.gz YSQKKZSDOKZBMD-MRXNPFEDSA-N 2 0 276.424 2.886 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000347201498 381000873 /nfs/dbraw/zinc/00/08/73/381000873.db2.gz KANUMNXNOUTOEW-CRAIPNDOSA-N 3 0 298.434 2.692 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000353986308 381002684 /nfs/dbraw/zinc/00/26/84/381002684.db2.gz INUHRHDDAUQLOB-CJNGLKHVSA-N 2 0 278.465 2.979 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368530571 381056161 /nfs/dbraw/zinc/05/61/61/381056161.db2.gz NRBCWGQOVBFHNC-MSOLQXFVSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2c(c1)OCO2 ZINC000182306606 381057272 /nfs/dbraw/zinc/05/72/72/381057272.db2.gz JLPFUYLJWJFSOM-OCCSQVGLSA-N 2 0 276.380 2.550 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@](C)(O)C3CC3)CC2)C1 ZINC000358717166 381032518 /nfs/dbraw/zinc/03/25/18/381032518.db2.gz QHQPZDHWPAUKKB-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)C ZINC000182259607 381042013 /nfs/dbraw/zinc/04/20/13/381042013.db2.gz DZJKRFZONICBBO-ZWKOTPCHSA-N 2 0 290.451 2.777 20 0 CFADRP OC1(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000368488448 381042322 /nfs/dbraw/zinc/04/23/22/381042322.db2.gz OPSNZOHJPRVLDB-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CCN1C ZINC000182397649 381080253 /nfs/dbraw/zinc/08/02/53/381080253.db2.gz XCWIQCUPLBQBPK-BBRMVZONSA-N 2 0 292.398 2.813 20 0 CFADRP CCN1CCC([NH2+][C@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000347350643 381089297 /nfs/dbraw/zinc/08/92/97/381089297.db2.gz WXJSYSLEEBISSG-HOTGVXAUSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2[C@@H]1CCC(C)(C)C1 ZINC000368630118 381089245 /nfs/dbraw/zinc/08/92/45/381089245.db2.gz CQTNLQZBPKTXOT-KLHDSHLOSA-N 2 0 280.456 2.749 20 0 CFADRP CCN1CCC([NH2+][C@@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000347350647 381089621 /nfs/dbraw/zinc/08/96/21/381089621.db2.gz WXJSYSLEEBISSG-HZPDHXFCSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC2CCOCC2)[C@@H](C)C1 ZINC000347387011 381115085 /nfs/dbraw/zinc/11/50/85/381115085.db2.gz BWXHQYOZIGCDAN-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)n1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000354098514 381078796 /nfs/dbraw/zinc/07/87/96/381078796.db2.gz XQXMWTUPOVVDFM-INIZCTEOSA-N 2 0 290.455 2.628 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)[C@H](C)C1 ZINC000347425924 381143747 /nfs/dbraw/zinc/14/37/47/381143747.db2.gz WMUJMHQNIOVSOC-GHMZBOCLSA-N 2 0 252.324 2.649 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCOC)C[C@@H]1C ZINC000354218206 381146105 /nfs/dbraw/zinc/14/61/05/381146105.db2.gz AKSSYELJJMCWSP-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347437158 381149555 /nfs/dbraw/zinc/14/95/55/381149555.db2.gz LAHFKLVMBWQAPM-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCCCO1 ZINC000347456117 381164571 /nfs/dbraw/zinc/16/45/71/381164571.db2.gz CMHCTWHQWZQRSB-IRXDYDNUSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1c[nH]nc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000289830379 381177060 /nfs/dbraw/zinc/17/70/60/381177060.db2.gz JRUVXMPPYCCVOK-UHFFFAOYSA-N 2 0 298.434 2.515 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000347522045 381199131 /nfs/dbraw/zinc/19/91/31/381199131.db2.gz AJDJRAUVOZPNPI-AWEZNQCLSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000341892214 381200224 /nfs/dbraw/zinc/20/02/24/381200224.db2.gz AZSFDQJZCOFASG-MTSZKFMLSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1C(C)(C)C1(C)C ZINC000354332783 381209077 /nfs/dbraw/zinc/20/90/77/381209077.db2.gz WBDLZHWTMATCOV-LBPRGKRZSA-N 2 0 252.446 2.989 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000369204433 381212816 /nfs/dbraw/zinc/21/28/16/381212816.db2.gz GATMRVBGDSCTIZ-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]([NH2+]Cc1cc[nH]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100057 381216366 /nfs/dbraw/zinc/21/63/66/381216366.db2.gz PVKSYBSFRGVIBF-UKRRQHHQSA-N 2 0 261.413 2.757 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182840287 381169434 /nfs/dbraw/zinc/16/94/34/381169434.db2.gz JOEZOSJMELUWNB-INIZCTEOSA-N 2 0 298.377 2.584 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnn(CC(C)C)c2)[C@H](C)C1 ZINC000183355880 381259502 /nfs/dbraw/zinc/25/95/02/381259502.db2.gz NGVJIAIJWABAND-WBVHZDCISA-N 2 0 292.471 2.701 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H](C)C1CCCCC1 ZINC000354432503 381262703 /nfs/dbraw/zinc/26/27/03/381262703.db2.gz YTNGOOKSFBKCKJ-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000347565869 381224868 /nfs/dbraw/zinc/22/48/68/381224868.db2.gz LREHKGDFFWCODL-SFHVURJKSA-N 3 0 295.515 2.915 20 0 CFADRP COCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197550 381234298 /nfs/dbraw/zinc/23/42/98/381234298.db2.gz FECIOQQZQOQXHZ-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc(C)n(CC[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000347583912 381236432 /nfs/dbraw/zinc/23/64/32/381236432.db2.gz GHVOCARTWITKBR-UHFFFAOYSA-N 2 0 292.471 2.554 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000289961799 381237419 /nfs/dbraw/zinc/23/74/19/381237419.db2.gz WZGXAAGXQMGNRK-GDBMZVCRSA-N 2 0 288.435 2.799 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC=C(c2cccnc2)C1 ZINC000296078753 381245709 /nfs/dbraw/zinc/24/57/09/381245709.db2.gz VUBWPUFJRASCFQ-QGZVFWFLSA-N 2 0 271.408 2.655 20 0 CFADRP CC[N@@H+](CCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000359211546 381289835 /nfs/dbraw/zinc/28/98/35/381289835.db2.gz DBZWCNVFTCCFQJ-UHFFFAOYSA-N 2 0 260.425 2.941 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](CC)CC1 ZINC000354467091 381290273 /nfs/dbraw/zinc/29/02/73/381290273.db2.gz RSDSLFQWKLPGTQ-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CCc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000347642640 381271228 /nfs/dbraw/zinc/27/12/28/381271228.db2.gz STBHEQPBAPSCGY-UHFFFAOYSA-N 2 0 275.440 2.808 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccncc2)[C@H]1c1ccccc1 ZINC000369477497 381272576 /nfs/dbraw/zinc/27/25/76/381272576.db2.gz AKMNGTURBKFSHS-QZTJIDSGSA-N 2 0 281.403 2.864 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000354460185 381284946 /nfs/dbraw/zinc/28/49/46/381284946.db2.gz KXMVQLBBMWXUIV-TWMKSMIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCn1ccnc1 ZINC000296299074 381338136 /nfs/dbraw/zinc/33/81/36/381338136.db2.gz PFJSHIYKFWKNNL-DLBZAZTESA-N 2 0 299.418 2.857 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000290135765 381314521 /nfs/dbraw/zinc/31/45/21/381314521.db2.gz VJCNTERKTYJUBO-LJQANCHMSA-N 2 0 296.414 2.914 20 0 CFADRP C([NH2+]C1CCOCC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369700592 381316878 /nfs/dbraw/zinc/31/68/78/381316878.db2.gz BLCSGVKANKEICL-MRXNPFEDSA-N 2 0 266.429 2.552 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000354574863 381347418 /nfs/dbraw/zinc/34/74/18/381347418.db2.gz PCKQNHRLRYSSHA-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2COCC)CC1 ZINC000354582305 381350958 /nfs/dbraw/zinc/35/09/58/381350958.db2.gz YREFSLCOQFTWEG-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)OC ZINC000290237351 381354083 /nfs/dbraw/zinc/35/40/83/381354083.db2.gz SGRNVISFVMJVEZ-ZBFHGGJFSA-N 2 0 294.439 2.703 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC3=CC[N@H+](C)CC3)c2c1 ZINC000354587347 381355055 /nfs/dbraw/zinc/35/50/55/381355055.db2.gz CGLWRFJBMBRHFS-UHFFFAOYSA-N 2 0 267.376 2.639 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000359334971 381358222 /nfs/dbraw/zinc/35/82/22/381358222.db2.gz SYZCKNWZDSZXRD-KGLIPLIRSA-N 2 0 264.438 2.815 20 0 CFADRP COC(=O)[C@@H](C)C[N@H+](CCCc1ccc(C)nc1)C1CC1 ZINC000354622042 381369937 /nfs/dbraw/zinc/36/99/37/381369937.db2.gz BBJIAVURQHICHD-ZDUSSCGKSA-N 2 0 290.407 2.596 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000296427565 381390862 /nfs/dbraw/zinc/39/08/62/381390862.db2.gz LWEICMACCBOWEK-DZGCQCFKSA-N 2 0 295.496 2.733 20 0 CFADRP COC[C@@H]1CCCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000342560879 381398181 /nfs/dbraw/zinc/39/81/81/381398181.db2.gz AJKVTXGMCWIFTP-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000370205943 381403164 /nfs/dbraw/zinc/40/31/64/381403164.db2.gz HJDHPQLXJJKLCC-AWEZNQCLSA-N 2 0 256.353 2.642 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000342594175 381421116 /nfs/dbraw/zinc/42/11/16/381421116.db2.gz KLJYVKIPUVYAJE-OAHLLOKOSA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC000359458576 381421696 /nfs/dbraw/zinc/42/16/96/381421696.db2.gz LNFZDXKVVKMNPI-UHFFFAOYSA-N 2 0 294.402 2.914 20 0 CFADRP CC/C=C/CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000184490652 381422931 /nfs/dbraw/zinc/42/29/31/381422931.db2.gz LLYCKAKKYNOPIX-PJHKVULZSA-N 2 0 293.499 2.833 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184497783 381424199 /nfs/dbraw/zinc/42/41/99/381424199.db2.gz QIUWADZVEMVFBK-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP c1[nH]c(-c2ccccc2)nc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370303696 381425790 /nfs/dbraw/zinc/42/57/90/381425790.db2.gz UMKDPHVWGWLOII-NVXWUHKLSA-N 2 0 296.418 2.793 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000290456297 381435583 /nfs/dbraw/zinc/43/55/83/381435583.db2.gz MRMVFGCLURTWSZ-SUMWQHHRSA-N 2 0 271.408 2.940 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2ccccc21 ZINC000348254132 381475864 /nfs/dbraw/zinc/47/58/64/381475864.db2.gz MXKNZGMAEUGYAN-QGZVFWFLSA-N 2 0 276.424 2.622 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC2(C)C)C[C@H](C)O1 ZINC000342692437 381482816 /nfs/dbraw/zinc/48/28/16/381482816.db2.gz YTMAQEXORIRSPM-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000296569827 381453669 /nfs/dbraw/zinc/45/36/69/381453669.db2.gz SVQUELSIVIRKHZ-RBSFLKMASA-N 2 0 275.440 2.678 20 0 CFADRP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000354899761 381512385 /nfs/dbraw/zinc/51/23/85/381512385.db2.gz VVPZVVQAELBTJZ-QZTJIDSGSA-N 2 0 294.483 2.878 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000412979365 381516167 /nfs/dbraw/zinc/51/61/67/381516167.db2.gz UJJRIYWKMVFSPR-DLBZAZTESA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCOC(C)(C)C)C1 ZINC000354859489 381491220 /nfs/dbraw/zinc/49/12/20/381491220.db2.gz UHHVAGOMSKVFFS-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2=Cc3ccccc3OC2)C1 ZINC000290622429 381501174 /nfs/dbraw/zinc/50/11/74/381501174.db2.gz XKFWXOYTLHZMLS-QZTJIDSGSA-N 2 0 298.430 2.879 20 0 CFADRP CCc1nc(C)cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000342792354 381544164 /nfs/dbraw/zinc/54/41/64/381544164.db2.gz WAJKEEOJBWSCNG-OAHLLOKOSA-N 2 0 288.439 2.516 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]CCCC2CCCCC2)CC1(C)C ZINC000348349102 381522705 /nfs/dbraw/zinc/52/27/05/381522705.db2.gz JDCDXPRSQVLUFC-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@H]3CCCSC3)CC2)cc[nH+]1 ZINC000297309144 381557292 /nfs/dbraw/zinc/55/72/92/381557292.db2.gz BURMKFUWJCWZQF-CQSZACIVSA-N 2 0 291.464 2.783 20 0 CFADRP CC(C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371155524 381558068 /nfs/dbraw/zinc/55/80/68/381558068.db2.gz HZFBFHNKMRVGNC-UHFFFAOYSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414170314 381567248 /nfs/dbraw/zinc/56/72/48/381567248.db2.gz BXHJOXPOOYMQKT-BZUAXINKSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414204057 381571983 /nfs/dbraw/zinc/57/19/83/381571983.db2.gz ZTQQIFURFASADQ-HUUCEWRRSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000414652220 381597659 /nfs/dbraw/zinc/59/76/59/381597659.db2.gz GPRSQPSTDFIRST-UAGQMJEPSA-N 2 0 258.409 2.777 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCCOc2ccccc2)CC[NH2+]1 ZINC000414697980 381600970 /nfs/dbraw/zinc/60/09/70/381600970.db2.gz HGRSXHUCMQVHBT-JKSUJKDBSA-N 2 0 276.424 2.775 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000414801572 381605680 /nfs/dbraw/zinc/60/56/80/381605680.db2.gz LYWCIUICXXPZKW-KYJSFNMBSA-N 2 0 288.435 2.660 20 0 CFADRP Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371289377 381584558 /nfs/dbraw/zinc/58/45/58/381584558.db2.gz KLGZCPSQQHZXNF-FGTMMUONSA-N 2 0 288.435 2.679 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000414874188 381609266 /nfs/dbraw/zinc/60/92/66/381609266.db2.gz ILZOIOMAAMVENS-VHSXEESVSA-N 2 0 250.308 2.579 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414862036 381609987 /nfs/dbraw/zinc/60/99/87/381609987.db2.gz UJQJLVQBRMMDAK-CYBMUJFWSA-N 2 0 271.408 2.533 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414925431 381613434 /nfs/dbraw/zinc/61/34/34/381613434.db2.gz LUGTXJLRDWBKMZ-KBPBESRZSA-N 2 0 280.799 2.634 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000185403780 381622441 /nfs/dbraw/zinc/62/24/41/381622441.db2.gz NZKLTWVEDXLOMN-GOEBONIOSA-N 2 0 261.413 2.854 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+]C[C@]2(COC)CCC[NH2+]2)C1 ZINC000414936029 381626748 /nfs/dbraw/zinc/62/67/48/381626748.db2.gz BNCSJCZWBKYEJU-PMPSAXMXSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[NH2+]1 ZINC000414944546 381637258 /nfs/dbraw/zinc/63/72/58/381637258.db2.gz GZGGMEWBPRCQDY-JQWIXIFHSA-N 2 0 270.323 2.518 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000414947792 381638171 /nfs/dbraw/zinc/63/81/71/381638171.db2.gz WWXARRZFFSJCMH-HIFRSBDPSA-N 2 0 264.438 2.507 20 0 CFADRP Cc1ncc(CN2CC[C@@H]([NH2+]C(C)C)[C@@H](C)C2)s1 ZINC000371509010 381647335 /nfs/dbraw/zinc/64/73/35/381647335.db2.gz NBHOMBZREMWTSN-SMDDNHRTSA-N 2 0 267.442 2.660 20 0 CFADRP Cc1ncc(CN2CC[C@H]([NH2+]C(C)C)[C@H](C)C2)s1 ZINC000371509009 381647422 /nfs/dbraw/zinc/64/74/22/381647422.db2.gz NBHOMBZREMWTSN-RISCZKNCSA-N 2 0 267.442 2.660 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cnn(C)c1 ZINC000371518427 381648734 /nfs/dbraw/zinc/64/87/34/381648734.db2.gz HXQDLCCJSFLMEB-QILLFSRXSA-N 2 0 298.434 2.764 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371519062 381649581 /nfs/dbraw/zinc/64/95/81/381649581.db2.gz JXUUKRGOHSJZAR-BRWVUGGUSA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414956600 381649637 /nfs/dbraw/zinc/64/96/37/381649637.db2.gz NOUNHUMWMKYESZ-YOEHRIQHSA-N 2 0 276.424 2.809 20 0 CFADRP CC[C@@H](C[NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414948840 381640920 /nfs/dbraw/zinc/64/09/20/381640920.db2.gz YGPWFXVBUIKMBR-RDJZCZTQSA-N 2 0 276.424 2.538 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414949585 381641029 /nfs/dbraw/zinc/64/10/29/381641029.db2.gz NUFWDUVEGAFIDC-CJNGLKHVSA-N 2 0 284.407 2.615 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414949584 381641069 /nfs/dbraw/zinc/64/10/69/381641069.db2.gz NUFWDUVEGAFIDC-BBRMVZONSA-N 2 0 284.407 2.615 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000414953321 381645623 /nfs/dbraw/zinc/64/56/23/381645623.db2.gz RJNPITIGEHOQKJ-WMLDXEAASA-N 2 0 298.434 2.626 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414954747 381646462 /nfs/dbraw/zinc/64/64/62/381646462.db2.gz KSHNEPHRZJNUFF-VYDXJSESSA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000348649723 381656093 /nfs/dbraw/zinc/65/60/93/381656093.db2.gz XTRJGAJYERGSIA-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP Fc1cccc(F)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414963077 381658605 /nfs/dbraw/zinc/65/86/05/381658605.db2.gz COHKQRBLTJERDY-NSHDSACASA-N 2 0 254.324 2.587 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414962013 381658667 /nfs/dbraw/zinc/65/86/67/381658667.db2.gz RZRSUCFAJBXKTN-PVAVHDDUSA-N 2 0 260.425 2.985 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)CC(C)C ZINC000359889351 381660063 /nfs/dbraw/zinc/66/00/63/381660063.db2.gz YLEOOSCAQQFHSW-IKGGRYGDSA-N 3 0 283.504 2.673 20 0 CFADRP Fc1cc(F)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1F ZINC000414964672 381661596 /nfs/dbraw/zinc/66/15/96/381661596.db2.gz DZNNWHIYMHTQGE-LLVKDONJSA-N 2 0 272.314 2.726 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414965094 381661837 /nfs/dbraw/zinc/66/18/37/381661837.db2.gz NAEAVSSJEYWIJU-DZGCQCFKSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414966314 381662438 /nfs/dbraw/zinc/66/24/38/381662438.db2.gz WGDBNBZCCXHIGG-WMLDXEAASA-N 2 0 281.403 2.836 20 0 CFADRP COCC1(C[NH2+][C@H](C)CC2CCCC2)CC[NH2+]CC1 ZINC000414972288 381667551 /nfs/dbraw/zinc/66/75/51/381667551.db2.gz JTAHBKHKYPNWPE-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP c1ccc([C@@H]2C[C@@H]([NH2+]CCC[C@H]3CCC[NH2+]3)CCN2)cc1 ZINC000414971054 381667947 /nfs/dbraw/zinc/66/79/47/381667947.db2.gz VSVZNVAWYSEIIQ-SQNIBIBYSA-N 2 0 287.451 2.602 20 0 CFADRP CCCc1cccc(C[NH2+]CC2(COC)CC[NH2+]CC2)c1 ZINC000414975337 381669822 /nfs/dbraw/zinc/66/98/22/381669822.db2.gz NXBFKQLWNCDTIC-UHFFFAOYSA-N 2 0 290.451 2.745 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1F ZINC000414957892 381651036 /nfs/dbraw/zinc/65/10/36/381651036.db2.gz CCMDPKXHSGEDFS-CQSZACIVSA-N 2 0 280.387 2.846 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414959251 381654614 /nfs/dbraw/zinc/65/46/14/381654614.db2.gz XCYBXQYXBWSVTG-LZWOXQAQSA-N 2 0 276.424 2.746 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013811 381708083 /nfs/dbraw/zinc/70/80/83/381708083.db2.gz LAJMFERHPKGZMA-YHAOYDPOSA-N 2 0 262.397 2.816 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343436693 381708205 /nfs/dbraw/zinc/70/82/05/381708205.db2.gz CBULAHFEDWRGAP-INIZCTEOSA-N 2 0 277.387 2.603 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000415016085 381709723 /nfs/dbraw/zinc/70/97/23/381709723.db2.gz PDKBIJNHHGLJAD-LLVKDONJSA-N 2 0 294.830 2.834 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000415016465 381710531 /nfs/dbraw/zinc/71/05/31/381710531.db2.gz PVDZDTFOKHBAKZ-NSHDSACASA-N 2 0 298.814 2.718 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415018175 381711438 /nfs/dbraw/zinc/71/14/38/381711438.db2.gz GOHIULCRCNWIFN-NSHDSACASA-N 2 0 285.229 2.975 20 0 CFADRP COc1ccc2nc(C[NH2+][C@H](C)CCCC[NH3+])sc2c1 ZINC000415016948 381711445 /nfs/dbraw/zinc/71/14/45/381711445.db2.gz QXQPPLZTPRRBHJ-LLVKDONJSA-N 2 0 293.436 2.912 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000415017424 381711482 /nfs/dbraw/zinc/71/14/82/381711482.db2.gz FISWGBRKFOMTJW-NSHDSACASA-N 2 0 298.814 2.718 20 0 CFADRP COc1cc2c(cc1F)CN(CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000348789506 381712989 /nfs/dbraw/zinc/71/29/89/381712989.db2.gz COAUQXPPZFMUSA-OAHLLOKOSA-N 2 0 292.398 2.677 20 0 CFADRP CC(C)(CCC[NH3+])[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000415019799 381713895 /nfs/dbraw/zinc/71/38/95/381713895.db2.gz WJUFDYXRSJHHDM-UHFFFAOYSA-N 2 0 281.347 2.769 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(C2CC2)n1 ZINC000415020853 381714799 /nfs/dbraw/zinc/71/47/99/381714799.db2.gz XWBUHXZGGMJEIY-SNVBAGLBSA-N 2 0 253.415 2.628 20 0 CFADRP COc1cc2c(c(C[NH2+][C@@H](C)CCCC[NH3+])c1)O[C@H](C)C2 ZINC000415020351 381715131 /nfs/dbraw/zinc/71/51/31/381715131.db2.gz XGUYTKQNUZFYQG-QWHCGFSZSA-N 2 0 292.423 2.626 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H](C)C1 ZINC000414980077 381675294 /nfs/dbraw/zinc/67/52/94/381675294.db2.gz OVSAPSUWYNZNNE-RHSMWYFYSA-N 2 0 287.451 2.865 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414982678 381677887 /nfs/dbraw/zinc/67/78/87/381677887.db2.gz YXATYRVFXCMUBT-HNNXBMFYSA-N 2 0 285.391 2.562 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000414986418 381678844 /nfs/dbraw/zinc/67/88/44/381678844.db2.gz CIIVRKSBGOCDCP-UJNJRHJRSA-N 2 0 262.372 2.946 20 0 CFADRP COC1CC([N@H+](C)Cc2cc(-n3ccnc3)cs2)C1 ZINC000348712030 381679116 /nfs/dbraw/zinc/67/91/16/381679116.db2.gz GZQXHTCRDVYXOM-UHFFFAOYSA-N 2 0 277.393 2.543 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414985750 381679843 /nfs/dbraw/zinc/67/98/43/381679843.db2.gz HVWKSYYNOBORDZ-ZFWWWQNUSA-N 2 0 291.439 2.854 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000414984204 381680118 /nfs/dbraw/zinc/68/01/18/381680118.db2.gz ABAYYMQKTYXVIH-JSGCOSHPSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000414989481 381682615 /nfs/dbraw/zinc/68/26/15/381682615.db2.gz HAYGKJHWWORUGK-ZFWWWQNUSA-N 2 0 285.391 2.949 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414989519 381683053 /nfs/dbraw/zinc/68/30/53/381683053.db2.gz HGXKDWWUOLYWGC-ZFWWWQNUSA-N 2 0 292.423 2.701 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1C ZINC000415000871 381692920 /nfs/dbraw/zinc/69/29/20/381692920.db2.gz BSBCBZTYBPIGBU-ZLTXHLNPSA-N 2 0 250.430 2.789 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC000415001969 381694127 /nfs/dbraw/zinc/69/41/27/381694127.db2.gz DCAZCYOHMPSSHM-PHQDNCEWSA-N 2 0 292.373 2.956 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415001805 381694672 /nfs/dbraw/zinc/69/46/72/381694672.db2.gz LPQGKXQZQNOPRY-XNRPHZJLSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002777 381694814 /nfs/dbraw/zinc/69/48/14/381694814.db2.gz MLGZBCPVJIVHOW-FRRDWIJNSA-N 2 0 293.480 2.875 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000415005135 381699238 /nfs/dbraw/zinc/69/92/38/381699238.db2.gz OZKPUUDUPBVRGH-GDBMZVCRSA-N 2 0 290.455 2.533 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000415022633 381717150 /nfs/dbraw/zinc/71/71/50/381717150.db2.gz ZWQUDNQQNBCDTA-ZDUSSCGKSA-N 2 0 272.396 2.684 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000415007278 381700420 /nfs/dbraw/zinc/70/04/20/381700420.db2.gz BFCMKVCNDFTHDY-LBPRGKRZSA-N 2 0 269.458 2.949 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000415009524 381702313 /nfs/dbraw/zinc/70/23/13/381702313.db2.gz UEZQCVLGXJMGBK-TZMCWYRMSA-N 2 0 288.395 2.585 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000415009474 381702728 /nfs/dbraw/zinc/70/27/28/381702728.db2.gz UDKXLVAHXNWJAH-DTWKUNHWSA-N 2 0 293.358 2.769 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C/c1ccc(F)cc1 ZINC000415008232 381702978 /nfs/dbraw/zinc/70/29/78/381702978.db2.gz DADJQROXJDCIBS-BPJJOFIESA-N 2 0 250.361 2.946 20 0 CFADRP CCOC(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680864 381703688 /nfs/dbraw/zinc/70/36/88/381703688.db2.gz DHQXSLYMUAUQRU-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)C1 ZINC000415009856 381704177 /nfs/dbraw/zinc/70/41/77/381704177.db2.gz OLMSOSQINUGCPE-DMVVEVTLSA-N 2 0 250.430 2.789 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)C(F)(F)F)CC1 ZINC000359972229 381704836 /nfs/dbraw/zinc/70/48/36/381704836.db2.gz VDIKODHVCNYDJM-SNVBAGLBSA-N 2 0 252.324 2.649 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000415011270 381705053 /nfs/dbraw/zinc/70/50/53/381705053.db2.gz HGDNYHAQCPMBDW-GFCCVEGCSA-N 2 0 292.452 2.756 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415011953 381706315 /nfs/dbraw/zinc/70/63/15/381706315.db2.gz RPEIFMCHYOQSRW-SYAUCNOPSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1Cl ZINC000415011878 381706542 /nfs/dbraw/zinc/70/65/42/381706542.db2.gz ISQLHXMHHOVBIN-QJPTWQEYSA-N 2 0 297.830 2.691 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415040251 381728189 /nfs/dbraw/zinc/72/81/89/381728189.db2.gz OUIJVXDABDCNKJ-JQWIXIFHSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2sccc2Br)C1 ZINC000415041444 381728741 /nfs/dbraw/zinc/72/87/41/381728741.db2.gz PWADOICVIGXEAZ-IUCAKERBSA-N 2 0 289.242 2.728 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415044464 381732169 /nfs/dbraw/zinc/73/21/69/381732169.db2.gz SRCOERHHSMRVSS-UXIGCNINSA-N 2 0 266.816 2.988 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415047374 381734228 /nfs/dbraw/zinc/73/42/28/381734228.db2.gz VZUNJKHHHMTUGX-WCQYABFASA-N 2 0 297.240 2.975 20 0 CFADRP FC(F)(F)c1cccc(CCCC[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415047398 381734295 /nfs/dbraw/zinc/73/42/95/381734295.db2.gz YIGYHPRCVPAZCG-FICVDOATSA-N 2 0 298.352 2.836 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000415048356 381734580 /nfs/dbraw/zinc/73/45/80/381734580.db2.gz WUUQXRAUSDXQSN-CMPLNLGQSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000415050802 381736176 /nfs/dbraw/zinc/73/61/76/381736176.db2.gz YTYYNWQVVJMVEU-ZYHUDNBSSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000415050799 381736336 /nfs/dbraw/zinc/73/63/36/381736336.db2.gz YTYYNWQVVJMVEU-CMPLNLGQSA-N 2 0 270.323 2.505 20 0 CFADRP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415052259 381738443 /nfs/dbraw/zinc/73/84/43/381738443.db2.gz MZRHOXFBMFPTIQ-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415073469 381758979 /nfs/dbraw/zinc/75/89/79/381758979.db2.gz YNVOGAUXEZINOI-UHFFFAOYSA-N 2 0 274.408 2.707 20 0 CFADRP Cc1ccc(O)c(C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000415059602 381744209 /nfs/dbraw/zinc/74/42/09/381744209.db2.gz VBNBJXNNQZOSRU-OAHLLOKOSA-N 2 0 285.391 2.665 20 0 CFADRP C[C@@H]1[C@@H](Nc2cc[nH+]c3ccccc23)CCC[N@@H+]1C ZINC000343488671 381746847 /nfs/dbraw/zinc/74/68/47/381746847.db2.gz ZBIBIHZKBXJDDH-OCCSQVGLSA-N 2 0 255.365 2.551 20 0 CFADRP C[C@H]1[C@H](Nc2cc[nH+]c3ccccc23)CCC[N@@H+]1C ZINC000343488668 381747355 /nfs/dbraw/zinc/74/73/55/381747355.db2.gz ZBIBIHZKBXJDDH-GXTWGEPZSA-N 2 0 255.365 2.551 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415064385 381748767 /nfs/dbraw/zinc/74/87/67/381748767.db2.gz CKWNOZCHGJWXMM-OCCSQVGLSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](CCC3CC3)CC2)C[C@@H](C)O1 ZINC000360047750 381749212 /nfs/dbraw/zinc/74/92/12/381749212.db2.gz YEZFFZJOFUIUHE-HUUCEWRRSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[NH2+]C3CC3)CC2)C1 ZINC000415064518 381749127 /nfs/dbraw/zinc/74/91/27/381749127.db2.gz CTQARENILJUNPD-QAPCUYQASA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000415064140 381749638 /nfs/dbraw/zinc/74/96/38/381749638.db2.gz JZRVQFZEHNOLJP-INIZCTEOSA-N 2 0 298.386 2.985 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000415066668 381750630 /nfs/dbraw/zinc/75/06/30/381750630.db2.gz BCEMXKZLYIRTLH-SWLSCSKDSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC000415073787 381759495 /nfs/dbraw/zinc/75/94/95/381759495.db2.gz BNFGDBACJFIQCP-NEPJUHHUSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415068881 381753527 /nfs/dbraw/zinc/75/35/27/381753527.db2.gz NTISCLQCYBCDNN-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000415067093 381754091 /nfs/dbraw/zinc/75/40/91/381754091.db2.gz KBBLVAHFTGRTNG-MAUKXSAKSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000415071711 381756847 /nfs/dbraw/zinc/75/68/47/381756847.db2.gz UIVJBMHTJMPRMY-XKQJLSEDSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccccc1F ZINC000415025817 381718279 /nfs/dbraw/zinc/71/82/79/381718279.db2.gz RTPVGFDHFBKAMK-STQMWFEESA-N 2 0 252.377 2.864 20 0 CFADRP CCCn1c(C[NH2+][C@H](C)CCC[NH3+])nc2ccccc21 ZINC000415025764 381718422 /nfs/dbraw/zinc/71/84/22/381718422.db2.gz ROQZRVBHESNBFQ-CYBMUJFWSA-N 2 0 274.412 2.663 20 0 CFADRP CSCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739261 381719723 /nfs/dbraw/zinc/71/97/23/381719723.db2.gz WPVIANRDXQUTBJ-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000415028045 381719940 /nfs/dbraw/zinc/71/99/40/381719940.db2.gz BYAYRNMDMYMQQR-VXGBXAGGSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)CC1 ZINC000415028200 381720144 /nfs/dbraw/zinc/72/01/44/381720144.db2.gz YGEFZHPMVJYMCD-JOCQHMNTSA-N 2 0 250.361 2.680 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000415026868 381720313 /nfs/dbraw/zinc/72/03/13/381720313.db2.gz VCRKAGYYMYOCOK-WKILWMFISA-N 2 0 298.434 2.727 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415031110 381723010 /nfs/dbraw/zinc/72/30/10/381723010.db2.gz GKROLXYOVFBPLB-MNOVXSKESA-N 2 0 267.442 2.658 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1OC(C)C ZINC000415033613 381723383 /nfs/dbraw/zinc/72/33/83/381723383.db2.gz IYRBHWFDAMWMNR-HIFRSBDPSA-N 2 0 292.423 2.699 20 0 CFADRP C[C@@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298826610 381758069 /nfs/dbraw/zinc/75/80/69/381758069.db2.gz GQCDZSAHHHWPBN-HZPDHXFCSA-N 2 0 287.451 2.867 20 0 CFADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035319 381724407 /nfs/dbraw/zinc/72/44/07/381724407.db2.gz KLGLMBUOPYLBFF-NCOADZHNSA-N 2 0 258.409 2.595 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000415034181 381724534 /nfs/dbraw/zinc/72/45/34/381724534.db2.gz JOYMSZDIYCTBPQ-MFKMUULPSA-N 2 0 272.314 2.922 20 0 CFADRP c1ccc(C2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415033840 381724736 /nfs/dbraw/zinc/72/47/36/381724736.db2.gz HLBHGMBSGKICIJ-DAWZGUTISA-N 2 0 288.435 2.681 20 0 CFADRP CC(C)[C@@H](C)[NH+](C)CC1(C[N@@H+](C)[C@H](C)C(C)C)COC1 ZINC000360009248 381725678 /nfs/dbraw/zinc/72/56/78/381725678.db2.gz BKXWFJZTKNKJNC-HZPDHXFCSA-N 2 0 284.488 2.956 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1nc2c(s1)CCC2 ZINC000415107587 381785214 /nfs/dbraw/zinc/78/52/14/381785214.db2.gz JFJUOCOIYXUSPY-IJLUTSLNSA-N 2 0 279.453 2.671 20 0 CFADRP C[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH2+]CC1 ZINC000415110881 381786064 /nfs/dbraw/zinc/78/60/64/381786064.db2.gz BJDQIXOWGJAHRN-NSHDSACASA-N 2 0 297.240 2.722 20 0 CFADRP C[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH2+]CC1 ZINC000415110876 381786712 /nfs/dbraw/zinc/78/67/12/381786712.db2.gz BJDQIXOWGJAHRN-LLVKDONJSA-N 2 0 297.240 2.722 20 0 CFADRP C[C@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccc(F)cc1F ZINC000415116663 381788598 /nfs/dbraw/zinc/78/85/98/381788598.db2.gz UZACMTPOLNGGSY-IAQYHMDHSA-N 2 0 268.351 2.658 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415121468 381793300 /nfs/dbraw/zinc/79/33/00/381793300.db2.gz HNDZSPNOQOQSTI-GDBMZVCRSA-N 2 0 298.434 2.802 20 0 CFADRP CCC[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415125795 381794624 /nfs/dbraw/zinc/79/46/24/381794624.db2.gz FKEAHZXXJCBLQI-INIZCTEOSA-N 2 0 289.467 2.758 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000355682661 381795004 /nfs/dbraw/zinc/79/50/04/381795004.db2.gz QEVLJXWIONWVLH-BZSNNMDCSA-N 2 0 295.515 2.911 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C[NH3+] ZINC000415127989 381796491 /nfs/dbraw/zinc/79/64/91/381796491.db2.gz NQUXQQWKPNYTEC-DGCLKSJQSA-N 2 0 276.355 2.989 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1F ZINC000415074488 381760844 /nfs/dbraw/zinc/76/08/44/381760844.db2.gz AEYAVFGTHFSYNM-TZMCWYRMSA-N 2 0 250.361 2.612 20 0 CFADRP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415074725 381761910 /nfs/dbraw/zinc/76/19/10/381761910.db2.gz AQWUFWJHOJVVBF-ARFHVFGLSA-N 2 0 298.434 2.547 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415076637 381762710 /nfs/dbraw/zinc/76/27/10/381762710.db2.gz SBNOBZDDPUHHNS-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415081151 381764839 /nfs/dbraw/zinc/76/48/39/381764839.db2.gz KGYCDNKYMPMDHV-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1ccc(Cl)s1 ZINC000415079198 381765396 /nfs/dbraw/zinc/76/53/96/381765396.db2.gz HPCFKINQDMEXTQ-SNVBAGLBSA-N 2 0 260.834 2.907 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000415084673 381769533 /nfs/dbraw/zinc/76/95/33/381769533.db2.gz HHNZTMBTANGPFE-ZHCJQAHYSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415084502 381769644 /nfs/dbraw/zinc/76/96/44/381769644.db2.gz RJQFIEKLNHYMAN-XQQFMLRXSA-N 2 0 296.377 2.854 20 0 CFADRP CSc1cc(C)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415083680 381769849 /nfs/dbraw/zinc/76/98/49/381769849.db2.gz NKNLNUOORUUBCH-ZDUSSCGKSA-N 2 0 264.438 2.806 20 0 CFADRP CN(CC[NH+](C)C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000348935322 381770932 /nfs/dbraw/zinc/77/09/32/381770932.db2.gz OQMXOGNHTNAUQD-UHFFFAOYSA-N 2 0 291.483 2.638 20 0 CFADRP C[C@@]1(C[NH2+]CCc2ccc(F)cc2Cl)CC[NH2+]C1 ZINC000415085105 381771165 /nfs/dbraw/zinc/77/11/65/381771165.db2.gz HWSRPGZUHHDZER-AWEZNQCLSA-N 2 0 270.779 2.611 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415086988 381773784 /nfs/dbraw/zinc/77/37/84/381773784.db2.gz SLVLJZUZUWXEOT-DGCLKSJQSA-N 2 0 297.240 2.927 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000415086923 381773828 /nfs/dbraw/zinc/77/38/28/381773828.db2.gz VJRGGTGUHNNQON-BBWFWOEESA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415089108 381774655 /nfs/dbraw/zinc/77/46/55/381774655.db2.gz MQZZAXKCGQHRIH-WBOJAVRRSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000415089853 381774852 /nfs/dbraw/zinc/77/48/52/381774852.db2.gz YHEYTDXDPPQPJG-RKDXNWHRSA-N 2 0 293.358 2.640 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415091543 381777179 /nfs/dbraw/zinc/77/71/79/381777179.db2.gz QRWIRDHUUCORJE-UHFFFAOYSA-N 2 0 297.240 2.847 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1c(C)noc1C ZINC000415093605 381778632 /nfs/dbraw/zinc/77/86/32/381778632.db2.gz VWMXOHZBNLNYAY-JXQTWKCFSA-N 2 0 265.401 2.850 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000415094462 381779390 /nfs/dbraw/zinc/77/93/90/381779390.db2.gz XOSOGQDSDOUKQB-HOTGVXAUSA-N 2 0 260.425 2.824 20 0 CFADRP CC(C)(C)c1cccc(OCC[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000415096584 381779901 /nfs/dbraw/zinc/77/99/01/381779901.db2.gz BNJQLOHJXABLHD-OAHLLOKOSA-N 2 0 290.451 2.952 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000343593776 381823225 /nfs/dbraw/zinc/82/32/25/381823225.db2.gz GLHCGIOBMRXSMC-XLAORIBOSA-N 2 0 295.515 2.674 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OC ZINC000356347876 381845092 /nfs/dbraw/zinc/84/50/92/381845092.db2.gz ZYWYRFUHYHSIHL-QKPAOTATSA-N 2 0 268.445 2.702 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000349179832 381840509 /nfs/dbraw/zinc/84/05/09/381840509.db2.gz CRBQCCIFHGHOQK-OAHLLOKOSA-N 2 0 292.423 2.590 20 0 CFADRP COC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCC1 ZINC000361550629 381842206 /nfs/dbraw/zinc/84/22/06/381842206.db2.gz FWCXWWFOZHUVPZ-MRXNPFEDSA-N 2 0 280.456 2.896 20 0 CFADRP C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000415139438 381803627 /nfs/dbraw/zinc/80/36/27/381803627.db2.gz ZQXUKBXSTSHULT-DQNOIUNYSA-N 2 0 262.372 2.756 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415137120 381803802 /nfs/dbraw/zinc/80/38/02/381803802.db2.gz XQHVUMRYHPXCBN-GDBMZVCRSA-N 2 0 298.434 2.504 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCOc3ccccc32)CCN1C ZINC000372399175 381806086 /nfs/dbraw/zinc/80/60/86/381806086.db2.gz CXIYNFUMVMNZDI-PMPSAXMXSA-N 2 0 288.435 2.967 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324198 381881731 /nfs/dbraw/zinc/88/17/31/381881731.db2.gz CAPLEAZSACZQJG-ATLSCFEFSA-N 2 0 289.467 2.750 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000356881244 381882200 /nfs/dbraw/zinc/88/22/00/381882200.db2.gz UTYMRKOISIHLMM-HIFRSBDPSA-N 2 0 294.414 2.792 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CCCCN2C2CC2)CCC1 ZINC000356405180 381848124 /nfs/dbraw/zinc/84/81/24/381848124.db2.gz KENAEKLKLSKLLZ-CQSZACIVSA-N 2 0 268.470 2.879 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000349217293 381850903 /nfs/dbraw/zinc/85/09/03/381850903.db2.gz MKWGFTOBUBLUOS-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000361756893 381861713 /nfs/dbraw/zinc/86/17/13/381861713.db2.gz PTEGOAWQCGXVLC-OAGGEKHMSA-N 2 0 282.472 2.636 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356792606 381866210 /nfs/dbraw/zinc/86/62/10/381866210.db2.gz UROGVWAQRCDLEB-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356831885 381867999 /nfs/dbraw/zinc/86/79/99/381867999.db2.gz BGBJEEMPKAUKDX-ZWKOTPCHSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H](CCC1CCCC1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349350087 381901521 /nfs/dbraw/zinc/90/15/21/381901521.db2.gz BTKZSTWKCXJAIQ-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)[C@H](C)C1 ZINC000186504878 381930086 /nfs/dbraw/zinc/93/00/86/381930086.db2.gz QKRYFFKEIMXCMX-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP COC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000186512260 381932240 /nfs/dbraw/zinc/93/22/40/381932240.db2.gz PFIYIRQRUAJVBW-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCO1 ZINC000356978142 381939826 /nfs/dbraw/zinc/93/98/26/381939826.db2.gz DIIZRRDYVVEAEX-BRWVUGGUSA-N 2 0 280.456 2.609 20 0 CFADRP C1CCC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373293646 381972840 /nfs/dbraw/zinc/97/28/40/381972840.db2.gz OFWPLUCRMIPAEY-OVYGPGRDSA-N 2 0 290.451 2.551 20 0 CFADRP Cc1c[nH+]ccc1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000343804757 381954110 /nfs/dbraw/zinc/95/41/10/381954110.db2.gz HHQSJEQLHKROGH-UHFFFAOYSA-N 2 0 273.380 2.941 20 0 CFADRP COc1ccc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357075682 381999803 /nfs/dbraw/zinc/99/98/03/381999803.db2.gz IXSNGKCYEXAEJW-KRWDZBQOSA-N 2 0 288.435 2.559 20 0 CFADRP Fc1cccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357087817 382003299 /nfs/dbraw/zinc/00/32/99/382003299.db2.gz SKIBPXMQOBQRFO-HNNXBMFYSA-N 2 0 292.398 2.526 20 0 CFADRP CCCC[N@H+](CCOCC[NH3+])[C@H](C)c1ccccc1 ZINC000357093992 382004604 /nfs/dbraw/zinc/00/46/04/382004604.db2.gz XMGSKBWFWPVZOF-OAHLLOKOSA-N 2 0 264.413 2.825 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000349661107 381983841 /nfs/dbraw/zinc/98/38/41/381983841.db2.gz DYGZMKIUJTYYRS-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000349715062 381985188 /nfs/dbraw/zinc/98/51/88/381985188.db2.gz CPGVCNRKJGRCBK-GOSISDBHSA-N 2 0 290.451 2.930 20 0 CFADRP CN(C)c1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357049359 381987931 /nfs/dbraw/zinc/98/79/31/381987931.db2.gz KUZWJMKOZXURJQ-MRXNPFEDSA-N 2 0 287.451 2.574 20 0 CFADRP CC[N@H+](CCNc1cc[nH+]c(C)c1Cl)C(C)C ZINC000357231779 382068820 /nfs/dbraw/zinc/06/88/20/382068820.db2.gz FMVXZKGRCMWCPY-UHFFFAOYSA-N 2 0 255.793 2.608 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)C1 ZINC000343979039 382046986 /nfs/dbraw/zinc/04/69/86/382046986.db2.gz IPTKKLZLNIAQIV-HYVNUMGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300000587 382055191 /nfs/dbraw/zinc/05/51/91/382055191.db2.gz PGDNGHARLYUECB-SOUVJXGZSA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300003126 382057388 /nfs/dbraw/zinc/05/73/88/382057388.db2.gz RYUHKNHEYMYXNV-HUUCEWRRSA-N 2 0 266.429 2.539 20 0 CFADRP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000293176435 382020068 /nfs/dbraw/zinc/02/00/68/382020068.db2.gz VOQWBTHFNQRTMO-CYBMUJFWSA-N 2 0 255.365 2.623 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000186812591 382022827 /nfs/dbraw/zinc/02/28/27/382022827.db2.gz IKEAWMRVMKWKOT-CQSZACIVSA-N 2 0 299.418 2.516 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000344073020 382109404 /nfs/dbraw/zinc/10/94/04/382109404.db2.gz CHTUBHCLNAQPED-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000352012648 382128523 /nfs/dbraw/zinc/12/85/23/382128523.db2.gz COFHFIBNDBRWLV-VQHPVUNQSA-N 2 0 280.456 2.654 20 0 CFADRP C1CC2(C1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@H]1CCO[C@@H]12 ZINC000376019926 382117345 /nfs/dbraw/zinc/11/73/45/382117345.db2.gz SIHLNEVUOVNAFA-YWWDTZIBSA-N 2 0 290.451 2.551 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000375344230 382080834 /nfs/dbraw/zinc/08/08/34/382080834.db2.gz CBKKGOZQORMCPM-VBNZEHGJSA-N 2 0 292.398 2.969 20 0 CFADRP Fc1cccc2c1OCC[C@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375345663 382081206 /nfs/dbraw/zinc/08/12/06/382081206.db2.gz TVYJQHWODPYDRQ-XJKCOSOUSA-N 2 0 290.382 2.866 20 0 CFADRP Fc1cccc2c1OCC[C@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375345661 382082365 /nfs/dbraw/zinc/08/23/65/382082365.db2.gz TVYJQHWODPYDRQ-WOSRLPQWSA-N 2 0 290.382 2.866 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344033843 382083059 /nfs/dbraw/zinc/08/30/59/382083059.db2.gz QWKWQHGNYJMPDZ-HNNXBMFYSA-N 2 0 295.446 2.702 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C[NH+](C)C ZINC000293352019 382090121 /nfs/dbraw/zinc/09/01/21/382090121.db2.gz HAMISNKNAAISNP-OTRWWLKZSA-N 2 0 260.425 2.966 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000344132891 382149872 /nfs/dbraw/zinc/14/98/72/382149872.db2.gz XSGUYXJXPZRZHE-UBDQQSCGSA-N 2 0 288.435 2.837 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187316401 382153290 /nfs/dbraw/zinc/15/32/90/382153290.db2.gz KSUYYOKORLMKBX-ZDUSSCGKSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC3(CCC3)C2)CC1 ZINC000376740308 382168371 /nfs/dbraw/zinc/16/83/71/382168371.db2.gz SSKPJELWHYBRFN-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1C ZINC000293616243 382197430 /nfs/dbraw/zinc/19/74/30/382197430.db2.gz JJOLIODSZRFVEA-OCCSQVGLSA-N 2 0 264.413 2.852 20 0 CFADRP CCC(C)(C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344261779 382237216 /nfs/dbraw/zinc/23/72/16/382237216.db2.gz KDTKIFDJNJQHAH-UHFFFAOYSA-N 2 0 258.369 2.854 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc12 ZINC000293788493 382279778 /nfs/dbraw/zinc/27/97/78/382279778.db2.gz UHYZXLMSVGODGZ-PWSUYJOCSA-N 2 0 294.468 2.792 20 0 CFADRP Cc1sccc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000293796888 382283494 /nfs/dbraw/zinc/28/34/94/382283494.db2.gz CYLLLSGZAKIOAC-GJZGRUSLSA-N 2 0 264.438 2.973 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377543469 382287243 /nfs/dbraw/zinc/28/72/43/382287243.db2.gz QWBFOPPSJFRVMJ-IRXDYDNUSA-N 2 0 273.424 2.539 20 0 CFADRP C[C@H]([NH2+]CCCc1nc2ccccc2n1C)[C@@H]1CCCO1 ZINC000680343959 542307440 /nfs/dbraw/zinc/30/74/40/542307440.db2.gz CDOOSTBZPWEWGD-BBRMVZONSA-N 2 0 287.407 2.663 20 0 CFADRP C[N@H+](C[C@H]1CCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000302413794 382248129 /nfs/dbraw/zinc/24/81/29/382248129.db2.gz KZNJYBZQACRYRS-ACJTYDJDSA-N 2 0 258.356 2.637 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccsc1 ZINC000187702002 382251384 /nfs/dbraw/zinc/25/13/84/382251384.db2.gz UMKABEVZBAFBQE-HOCLYGCPSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000680351673 542310444 /nfs/dbraw/zinc/31/04/44/542310444.db2.gz DHKPGWUHLWSYTG-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)C1CC[NH+](C)CC1 ZINC000680354903 542311370 /nfs/dbraw/zinc/31/13/70/542311370.db2.gz KIFCCFLOMRHVLU-IINYFYTJSA-N 2 0 296.361 2.718 20 0 CFADRP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(C)c1O ZINC000293757109 382265742 /nfs/dbraw/zinc/26/57/42/382265742.db2.gz XHVFWXNLELWEGN-SFHVURJKSA-N 2 0 288.435 2.927 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1C1CCC1 ZINC000419374215 382303472 /nfs/dbraw/zinc/30/34/72/382303472.db2.gz OAPYLIZCNGYZPN-CABCVRRESA-N 2 0 268.470 2.688 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293857054 382309453 /nfs/dbraw/zinc/30/94/53/382309453.db2.gz XOXXQYDDJILOIU-RRFJBIMHSA-N 2 0 278.440 2.975 20 0 CFADRP CCN(CC)CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000377668285 382313773 /nfs/dbraw/zinc/31/37/73/382313773.db2.gz DZJCKARCLXSUHO-DLBZAZTESA-N 2 0 293.430 2.502 20 0 CFADRP COCCCC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000352412872 382317708 /nfs/dbraw/zinc/31/77/08/382317708.db2.gz JRDJWMINJZLMMX-UHFFFAOYSA-N 2 0 291.439 2.825 20 0 CFADRP C[C@@H]1CC[C@H](C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)O1 ZINC000364489106 382319657 /nfs/dbraw/zinc/31/96/57/382319657.db2.gz DYDFCUCETSEUBH-BFYDXBDKSA-N 2 0 292.467 2.750 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnccc2C)C1 ZINC000357787575 382322268 /nfs/dbraw/zinc/32/22/68/382322268.db2.gz ZCHHUAODLODVJG-CABCVRRESA-N 2 0 261.413 2.773 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1nc2ccccc2s1 ZINC000420294168 382345727 /nfs/dbraw/zinc/34/57/27/382345727.db2.gz ASWWKKVFJINYIG-GFCCVEGCSA-N 2 0 275.421 2.728 20 0 CFADRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000346176429 382333942 /nfs/dbraw/zinc/33/39/42/382333942.db2.gz OAHHNPRCWQDBGY-UHFFFAOYSA-N 2 0 258.369 2.806 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420282746 382340641 /nfs/dbraw/zinc/34/06/41/382340641.db2.gz BJHPDFFPEAVKBQ-QWHCGFSZSA-N 2 0 264.438 2.968 20 0 CFADRP c1ccc([C@@H]2CSCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420299067 382350337 /nfs/dbraw/zinc/35/03/37/382350337.db2.gz GFBXUSBNOPJCSR-HOCLYGCPSA-N 2 0 276.449 2.776 20 0 CFADRP c1ccc(C[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420301748 382350948 /nfs/dbraw/zinc/35/09/48/382350948.db2.gz JBFPZLSTEFQWQT-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1ccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420300117 382352284 /nfs/dbraw/zinc/35/22/84/382352284.db2.gz HFCXCCIMDCKAHF-INIZCTEOSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420390683 382396412 /nfs/dbraw/zinc/39/64/12/382396412.db2.gz ADMMNSOKWWTSTI-CVEARBPZSA-N 2 0 298.434 2.913 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC000420302660 382353776 /nfs/dbraw/zinc/35/37/76/382353776.db2.gz GIMDCCNNTZYNGJ-IAGOWNOFSA-N 2 0 274.383 2.889 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420304912 382353858 /nfs/dbraw/zinc/35/38/58/382353858.db2.gz JLOWTIRJQYIAIL-GVDBMIGSSA-N 2 0 288.435 2.687 20 0 CFADRP CN(CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420389295 382396672 /nfs/dbraw/zinc/39/66/72/382396672.db2.gz HOOORZORBLDTKL-AEFFLSMTSA-N 2 0 287.451 2.587 20 0 CFADRP COCCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420313192 382360566 /nfs/dbraw/zinc/36/05/66/382360566.db2.gz PIMPEDMWRUZVMH-MSOLQXFVSA-N 2 0 290.451 2.695 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cnn(-c2ccccc2)c1 ZINC000420315454 382362043 /nfs/dbraw/zinc/36/20/43/382362043.db2.gz LUPHWVGURWSTSN-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP CC[NH+](CC)CCCN1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000365189324 382363325 /nfs/dbraw/zinc/36/33/25/382363325.db2.gz KLKUQSHVKSUVIK-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(OC(F)F)cc1 ZINC000420316122 382363735 /nfs/dbraw/zinc/36/37/35/382363735.db2.gz MMHAYBHOHZCTHK-GFCCVEGCSA-N 2 0 284.350 2.719 20 0 CFADRP Cc1noc(C)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352494855 382364833 /nfs/dbraw/zinc/36/48/33/382364833.db2.gz GFPQMXZFTATLFA-UHFFFAOYSA-N 2 0 265.401 2.632 20 0 CFADRP CCc1csc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420321369 382365752 /nfs/dbraw/zinc/36/57/52/382365752.db2.gz RCAYJMSPPOIMRH-UONOGXRCSA-N 2 0 293.480 2.885 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420321751 382369022 /nfs/dbraw/zinc/36/90/22/382369022.db2.gz RPMWASWLXWSEQW-CQSZACIVSA-N 2 0 280.387 2.526 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cccs2)cc1 ZINC000420323372 382369028 /nfs/dbraw/zinc/36/90/28/382369028.db2.gz TUKNEAZBOSTAMW-CQSZACIVSA-N 2 0 290.432 2.931 20 0 CFADRP c1ccc(N2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420327029 382370600 /nfs/dbraw/zinc/37/06/00/382370600.db2.gz YFJBYUFLBUFGRW-QGZVFWFLSA-N 2 0 287.451 2.588 20 0 CFADRP CCC[N@H+](CCN1CC[NH2+]CC1)[C@H](CC)c1ccccc1 ZINC000420325677 382371108 /nfs/dbraw/zinc/37/11/08/382371108.db2.gz WOYJADGSUIMKCU-GOSISDBHSA-N 2 0 289.467 2.755 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420329512 382373056 /nfs/dbraw/zinc/37/30/56/382373056.db2.gz OLKMNQLTZQJHNG-LSDHHAIUSA-N 2 0 292.398 2.526 20 0 CFADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334953 382374655 /nfs/dbraw/zinc/37/46/55/382374655.db2.gz UOYPULJXQSZFDN-IRXDYDNUSA-N 2 0 288.435 2.825 20 0 CFADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334950 382374727 /nfs/dbraw/zinc/37/47/27/382374727.db2.gz UOYPULJXQSZFDN-IAGOWNOFSA-N 2 0 288.435 2.825 20 0 CFADRP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334956 382375376 /nfs/dbraw/zinc/37/53/76/382375376.db2.gz UOYPULJXQSZFDN-SJORKVTESA-N 2 0 288.435 2.825 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000420347630 382376446 /nfs/dbraw/zinc/37/64/46/382376446.db2.gz HPPCMGMTAKFJGR-HNNXBMFYSA-N 2 0 264.438 2.756 20 0 CFADRP C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)CC1CCOCC1 ZINC000420349576 382376721 /nfs/dbraw/zinc/37/67/21/382376721.db2.gz PQDFPTOXJMPFTL-QGZVFWFLSA-N 2 0 280.456 2.659 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000346472991 382376903 /nfs/dbraw/zinc/37/69/03/382376903.db2.gz YZKURPFTSWLKHV-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CC2 ZINC000420347874 382377231 /nfs/dbraw/zinc/37/72/31/382377231.db2.gz ZQEJOLJHKMTOHR-VBQJREDUSA-N 2 0 274.383 2.744 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420395149 382397882 /nfs/dbraw/zinc/39/78/82/382397882.db2.gz CXGZXBIHGLTRLI-HZPDHXFCSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420397014 382397970 /nfs/dbraw/zinc/39/79/70/382397970.db2.gz FSUCLASWICTVGW-RYUDHWBXSA-N 2 0 280.416 2.568 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000420398610 382398067 /nfs/dbraw/zinc/39/80/67/382398067.db2.gz HBDDLNZXMGPVNL-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP Clc1ccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420363210 382384895 /nfs/dbraw/zinc/38/48/95/382384895.db2.gz BJZSQYRLSHFVSR-ABAIWWIYSA-N 2 0 264.800 2.990 20 0 CFADRP Fc1ccc(/C=C/CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352540266 382385830 /nfs/dbraw/zinc/38/58/30/382385830.db2.gz IYGIWXWTYSGOMW-DUXHTMCSSA-N 2 0 274.383 2.914 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccc2c(c1)CCO2)CC1CCCC1 ZINC000352539471 382386273 /nfs/dbraw/zinc/38/62/73/382386273.db2.gz BBDCVBBUOCTTDE-UHFFFAOYSA-N 2 0 288.435 2.963 20 0 CFADRP [NH3+]CCOCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000420374582 382391411 /nfs/dbraw/zinc/39/14/11/382391411.db2.gz ODTVWYQMFIOBNE-SFHVURJKSA-N 2 0 284.403 2.535 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000420297407 382347302 /nfs/dbraw/zinc/34/73/02/382347302.db2.gz DFSZYBYDOUZDOL-KRWDZBQOSA-N 2 0 284.403 2.870 20 0 CFADRP c1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000420295403 382347603 /nfs/dbraw/zinc/34/76/03/382347603.db2.gz AGROYOZTJGBMFZ-SJLPKXTDSA-N 2 0 288.435 2.667 20 0 CFADRP c1ccc([C@@H]2CCCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420297426 382348067 /nfs/dbraw/zinc/34/80/67/382348067.db2.gz DILIACVHANNUMO-SFHVURJKSA-N 2 0 287.451 2.509 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000680469793 542327730 /nfs/dbraw/zinc/32/77/30/542327730.db2.gz VZNVJUVBNUPLCX-HNNXBMFYSA-N 2 0 293.455 2.707 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000358048335 382428678 /nfs/dbraw/zinc/42/86/78/382428678.db2.gz PMVPKFQHNBFALL-ZWKOTPCHSA-N 2 0 270.420 2.618 20 0 CFADRP CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]c2ccccc21 ZINC000420645139 382442266 /nfs/dbraw/zinc/44/22/66/382442266.db2.gz ZWSNNVJKIGAUAC-CYBMUJFWSA-N 2 0 255.365 2.765 20 0 CFADRP Cc1cc(CN2CCC([NH3+])CC2)c(OC(F)F)cc1C ZINC000346629476 382443643 /nfs/dbraw/zinc/44/36/43/382443643.db2.gz AYXGTWCAUXFEDW-UHFFFAOYSA-N 2 0 284.350 2.828 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420405862 382399514 /nfs/dbraw/zinc/39/95/14/382399514.db2.gz UEHXUGSPFQJJDY-HOTGVXAUSA-N 2 0 296.455 2.574 20 0 CFADRP C[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)c1ccccc1 ZINC000420419760 382403231 /nfs/dbraw/zinc/40/32/31/382403231.db2.gz XQIZVCDNOYNGFE-NEPJUHHUSA-N 2 0 288.395 2.545 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000358014866 382408848 /nfs/dbraw/zinc/40/88/48/382408848.db2.gz CUKNAECXSVFJJA-RHSMWYFYSA-N 2 0 294.414 2.915 20 0 CFADRP Cc1nc(C)c(C)c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000378161401 382409342 /nfs/dbraw/zinc/40/93/42/382409342.db2.gz XIJUJQOPUKPXAM-UHFFFAOYSA-N 2 0 288.439 2.857 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346562567 382414333 /nfs/dbraw/zinc/41/43/33/382414333.db2.gz QDJCFXMPFXOLKV-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@H](C)C2)C[C@@H]1C ZINC000352617630 382418874 /nfs/dbraw/zinc/41/88/74/382418874.db2.gz GLICZWOFWRCHCM-JJXSEGSLSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCOc2ccccc2)CC[N@@H+]1C ZINC000358031835 382419348 /nfs/dbraw/zinc/41/93/48/382419348.db2.gz ZMMPOSJRMUHRJW-CVEARBPZSA-N 2 0 276.424 2.918 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000188674822 382455594 /nfs/dbraw/zinc/45/55/94/382455594.db2.gz NMZFYJXETICOCZ-ZACQAIPSSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346670102 382463793 /nfs/dbraw/zinc/46/37/93/382463793.db2.gz JNOAQWWHRLLDPL-CZUORRHYSA-N 2 0 298.434 2.658 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000346688793 382472265 /nfs/dbraw/zinc/47/22/65/382472265.db2.gz ONNUFRUXBOMATH-UHFFFAOYSA-N 2 0 291.414 2.597 20 0 CFADRP CC(C)C1CCC(C[NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC000352755173 382468527 /nfs/dbraw/zinc/46/85/27/382468527.db2.gz LWNYOQMFHYLXNH-UHFFFAOYSA-N 2 0 296.499 2.743 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000310459739 382495059 /nfs/dbraw/zinc/49/50/59/382495059.db2.gz ANOVSXYCSVCNQW-UWVGGRQHSA-N 2 0 255.431 2.928 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000346692738 382475368 /nfs/dbraw/zinc/47/53/68/382475368.db2.gz INYOKEGAUGONQI-UHFFFAOYSA-N 2 0 286.423 2.802 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2sccc2OC)CC1 ZINC000346692823 382475534 /nfs/dbraw/zinc/47/55/34/382475534.db2.gz JGFOJGOVCGARKC-UHFFFAOYSA-N 2 0 268.426 2.578 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000352807756 382476858 /nfs/dbraw/zinc/47/68/58/382476858.db2.gz AARNQKVCGLYSPG-WBVHZDCISA-N 2 0 294.483 2.804 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000378523034 382478311 /nfs/dbraw/zinc/47/83/11/382478311.db2.gz ZBDWTSPIXZFNCR-USXIJHARSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC1CC1 ZINC000346695233 382480197 /nfs/dbraw/zinc/48/01/97/382480197.db2.gz ZBXYXHXKAOOABE-UKRRQHHQSA-N 2 0 274.408 2.645 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](C)CC1CCOCC1 ZINC000346695306 382480274 /nfs/dbraw/zinc/48/02/74/382480274.db2.gz ZRYONBBFLNEJGN-GOEBONIOSA-N 2 0 270.461 2.744 20 0 CFADRP C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000310762766 382497683 /nfs/dbraw/zinc/49/76/83/382497683.db2.gz BCNINIYVERJKEZ-IYBDPMFKSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000381930178 382526269 /nfs/dbraw/zinc/52/62/69/382526269.db2.gz WQUKTDAUOAXXEA-HYVNUMGLSA-N 2 0 258.409 2.864 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346815613 382527000 /nfs/dbraw/zinc/52/70/00/382527000.db2.gz CWQUQKQOLBQZSW-USXIJHARSA-N 2 0 296.418 2.554 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000311106027 382500659 /nfs/dbraw/zinc/50/06/59/382500659.db2.gz QVVCLFGEFVQEPL-NXEZZACHSA-N 2 0 260.303 2.951 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)C[C@H]12 ZINC000346818487 382528079 /nfs/dbraw/zinc/52/80/79/382528079.db2.gz GLWBHBKPLUYYEX-NZVBXONLSA-N 2 0 274.339 2.741 20 0 CFADRP C[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000311595094 382506137 /nfs/dbraw/zinc/50/61/37/382506137.db2.gz BFNKLNXZQVKTBB-BHYGNILZSA-N 2 0 258.409 2.722 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CC2)CC1 ZINC000346777949 382507227 /nfs/dbraw/zinc/50/72/27/382507227.db2.gz KGOODUCZJNSPIP-UHFFFAOYSA-N 2 0 267.376 2.767 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000311857815 382508878 /nfs/dbraw/zinc/50/88/78/382508878.db2.gz WZSUEQDEUTZBNC-CZUORRHYSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000346795872 382514487 /nfs/dbraw/zinc/51/44/87/382514487.db2.gz MQAFJGJLBJZKTD-LRDDRELGSA-N 2 0 274.383 2.887 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000294530946 382515745 /nfs/dbraw/zinc/51/57/45/382515745.db2.gz CPMOVMKUGZVINT-RHSMWYFYSA-N 2 0 289.423 2.598 20 0 CFADRP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(C2CC2)c1 ZINC000380689534 382515963 /nfs/dbraw/zinc/51/59/63/382515963.db2.gz DXPRZTUPIQAYEI-HDICACEKSA-N 2 0 270.420 2.995 20 0 CFADRP CC(C)CC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000366480960 382517410 /nfs/dbraw/zinc/51/74/10/382517410.db2.gz FJOLCPSRHLEGOS-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)C(C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(C)C ZINC000366485354 382517869 /nfs/dbraw/zinc/51/78/69/382517869.db2.gz BGWAREUXCAUWPX-INIZCTEOSA-N 2 0 252.446 2.942 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)[nH]3)C[C@@H]21 ZINC000346821113 382528927 /nfs/dbraw/zinc/52/89/27/382528927.db2.gz LHJPCGSGCPVLJC-HYVNUMGLSA-N 2 0 296.418 2.636 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000346844145 382541370 /nfs/dbraw/zinc/54/13/70/382541370.db2.gz YWBHKRUGHLQHSI-DZGCQCFKSA-N 2 0 288.391 2.552 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000346846988 382543336 /nfs/dbraw/zinc/54/33/36/382543336.db2.gz ONWBQCAZNZFGPF-OLMNGRFOSA-N 2 0 250.430 2.872 20 0 CFADRP Cc1ccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346851135 382544281 /nfs/dbraw/zinc/54/42/81/382544281.db2.gz QMSKMRXSLAKGRC-INIZCTEOSA-N 2 0 288.435 2.838 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346853772 382545607 /nfs/dbraw/zinc/54/56/07/382545607.db2.gz ALROEMJOSLXSDR-GJZGRUSLSA-N 2 0 291.414 2.844 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC2CCOCC2)[C@H](C)C1 ZINC000346932392 382576137 /nfs/dbraw/zinc/57/61/37/382576137.db2.gz MKCZZKHHMNMHQI-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000346869189 382553173 /nfs/dbraw/zinc/55/31/73/382553173.db2.gz TZODCSRKCQTIRE-JJXSEGSLSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000353494107 382554035 /nfs/dbraw/zinc/55/40/35/382554035.db2.gz YORANPIVUSVVTF-RCCFBDPRSA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC2CCOCC2)[C@@H](C)C1 ZINC000346932388 382576684 /nfs/dbraw/zinc/57/66/84/382576684.db2.gz MKCZZKHHMNMHQI-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358300059 382556589 /nfs/dbraw/zinc/55/65/89/382556589.db2.gz NPPYWEYJPHSHCV-ILMPWQCYSA-N 2 0 294.483 2.779 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCCCC1 ZINC000353548835 382558633 /nfs/dbraw/zinc/55/86/33/382558633.db2.gz NKJABMHNIGCXHJ-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000358312594 382563364 /nfs/dbraw/zinc/56/33/64/382563364.db2.gz BOWWDDZERVAIMU-ULQDDVLXSA-N 2 0 280.456 2.533 20 0 CFADRP FCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367446592 382570338 /nfs/dbraw/zinc/57/03/38/382570338.db2.gz FYLKRWYUCXOYHC-HNNXBMFYSA-N 2 0 256.409 2.934 20 0 CFADRP C[C@@H](C[NH2+]C[C@]1(C)CCCS1)C[NH+]1CCCCC1 ZINC000385470489 382571008 /nfs/dbraw/zinc/57/10/08/382571008.db2.gz AIPHEHZBZYCEGE-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353611926 382577613 /nfs/dbraw/zinc/57/76/13/382577613.db2.gz GCEZKHBSBZHFAM-WKULXVSPSA-N 2 0 294.483 2.900 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000367467497 382572467 /nfs/dbraw/zinc/57/24/67/382572467.db2.gz PSNMSRMUSBDFEK-VNQPRFMTSA-N 2 0 276.449 2.973 20 0 CFADRP CCOC1CC(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000367530296 382573896 /nfs/dbraw/zinc/57/38/96/382573896.db2.gz CGWYBTWKHLOSBJ-UHFFFAOYSA-N 2 0 280.456 2.609 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)C[C@H]12 ZINC000346823580 382530024 /nfs/dbraw/zinc/53/00/24/382530024.db2.gz FGUPOXLOCAZPTP-GBESFXJTSA-N 2 0 293.414 2.918 20 0 CFADRP C[N@@H+](Cc1ccccc1)CC1CCN(CC(C)(C)[NH3+])CC1 ZINC000346821532 382530830 /nfs/dbraw/zinc/53/08/30/382530830.db2.gz AVBSFITUXHADPF-UHFFFAOYSA-N 2 0 289.467 2.568 20 0 CFADRP CCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000382513933 382532078 /nfs/dbraw/zinc/53/20/78/382532078.db2.gz SNRPEKYXLGGLMT-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]12 ZINC000346828961 382533374 /nfs/dbraw/zinc/53/33/74/382533374.db2.gz NXSCPBMPYMWZQH-FGTMMUONSA-N 2 0 293.414 2.918 20 0 CFADRP CN1CC[C@@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)C1 ZINC000358260685 382533939 /nfs/dbraw/zinc/53/39/39/382533939.db2.gz VPXDBMNCXZGZDN-FUHWJXTLSA-N 2 0 290.451 2.820 20 0 CFADRP CN(C)c1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353632642 382588100 /nfs/dbraw/zinc/58/81/00/382588100.db2.gz PQIDUJYOARLNSK-UHFFFAOYSA-N 2 0 275.440 2.715 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000388330169 382606361 /nfs/dbraw/zinc/60/63/61/382606361.db2.gz DQFNQQLVBAINBS-YVFQKMDQSA-N 2 0 260.381 2.534 20 0 CFADRP CCC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000389408562 382614320 /nfs/dbraw/zinc/61/43/20/382614320.db2.gz KQWHTOIFKOAGAP-UHFFFAOYSA-N 2 0 289.423 2.599 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389804242 382616445 /nfs/dbraw/zinc/61/64/45/382616445.db2.gz UMAOWHBBBJAUOY-JFIYKMOQSA-N 2 0 289.467 2.614 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189541969 382621815 /nfs/dbraw/zinc/62/18/15/382621815.db2.gz RCPHHNQAOHKXRH-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)CN1Cc1ccccc1 ZINC000189561450 382624654 /nfs/dbraw/zinc/62/46/54/382624654.db2.gz CDLGSBYDSIJYGX-SZMVWBNQSA-N 2 0 286.419 2.932 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367603306 382578312 /nfs/dbraw/zinc/57/83/12/382578312.db2.gz YZPRIKJSKZETSC-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000358345437 382580259 /nfs/dbraw/zinc/58/02/59/382580259.db2.gz ZLDCUDSKIJTBGB-BRWVUGGUSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000385921230 382580876 /nfs/dbraw/zinc/58/08/76/382580876.db2.gz AIQUQJVDSBQIQE-VQHPVUNQSA-N 2 0 281.488 2.617 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000190632224 382675569 /nfs/dbraw/zinc/67/55/69/382675569.db2.gz ZNHAHANUNMDOHC-QGZVFWFLSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCOCC(F)F)C1 ZINC000190900678 382684171 /nfs/dbraw/zinc/68/41/71/382684171.db2.gz YWBWKFNDHUPFOU-ZFWWWQNUSA-N 2 0 298.377 2.693 20 0 CFADRP c1nc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000192296318 382706889 /nfs/dbraw/zinc/70/68/89/382706889.db2.gz PJKPIJCOOWVMCW-UHFFFAOYSA-N 2 0 285.391 2.676 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000192477624 382709475 /nfs/dbraw/zinc/70/94/75/382709475.db2.gz UYIDMZNPHIWCEH-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000575002553 382723077 /nfs/dbraw/zinc/72/30/77/382723077.db2.gz OSGJTNHMDGTCLD-GUYJKWIASA-N 2 0 296.361 2.654 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000575043359 382724775 /nfs/dbraw/zinc/72/47/75/382724775.db2.gz XMMVKRZCDMFJJH-HKUYNNGSSA-N 2 0 299.462 2.881 20 0 CFADRP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CCOCC1 ZINC000336832703 382726894 /nfs/dbraw/zinc/72/68/94/382726894.db2.gz MUAPGJKUAZMMNX-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP c1ccc(CSCC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193901567 382728760 /nfs/dbraw/zinc/72/87/60/382728760.db2.gz WVYBKLXPQGCBEP-MRXNPFEDSA-N 2 0 290.476 2.994 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000336836238 382728969 /nfs/dbraw/zinc/72/89/69/382728969.db2.gz WLRBIQVVSAMFOM-YESZJQIVSA-N 2 0 282.472 2.734 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000575172881 382729641 /nfs/dbraw/zinc/72/96/41/382729641.db2.gz QERHETNCZUUVQX-XJKSGUPXSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000336839533 382730894 /nfs/dbraw/zinc/73/08/94/382730894.db2.gz OWFHHHYMNQTSPB-QWHCGFSZSA-N 2 0 280.412 2.872 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCN1CCc2ccccc21 ZINC000336841935 382732008 /nfs/dbraw/zinc/73/20/08/382732008.db2.gz SQBUIZJQIMORGP-OAHLLOKOSA-N 2 0 275.440 2.546 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1C ZINC000194073931 382734515 /nfs/dbraw/zinc/73/45/15/382734515.db2.gz LRYMMIHZXJQPBO-IAGOWNOFSA-N 2 0 288.435 2.920 20 0 CFADRP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000219366273 382793785 /nfs/dbraw/zinc/79/37/85/382793785.db2.gz RWKGEDXLDNTHNC-UHFFFAOYSA-N 2 0 298.434 2.673 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000575522454 382773417 /nfs/dbraw/zinc/77/34/17/382773417.db2.gz QKYPMEWJLBPCCP-OFQRWUPVSA-N 2 0 268.445 2.654 20 0 CFADRP C=Cn1cc(CNCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000194192730 382737333 /nfs/dbraw/zinc/73/73/33/382737333.db2.gz FRDHKGYNQBDQLO-UHFFFAOYSA-N 2 0 296.418 2.522 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CCOC1(C)C)C1CCCCC1 ZINC000336890243 382737933 /nfs/dbraw/zinc/73/79/33/382737933.db2.gz HEQYCDVOVYUZFM-HNNXBMFYSA-N 2 0 268.445 2.798 20 0 CFADRP C=Cn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cn1 ZINC000194292963 382739337 /nfs/dbraw/zinc/73/93/37/382739337.db2.gz BQPUIUXVPYYDFJ-UHFFFAOYSA-N 2 0 284.407 2.725 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535730 382747322 /nfs/dbraw/zinc/74/73/22/382747322.db2.gz QVQJIBXHDXRBIM-BMFZPTHFSA-N 2 0 276.399 2.640 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(-n2ccnc2)c1 ZINC000195049542 382760441 /nfs/dbraw/zinc/76/04/41/382760441.db2.gz FDESOSREOVPHFL-GRDNDAEWSA-N 2 0 285.391 2.948 20 0 CFADRP CC(C)(C)c1csc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228475505 382846760 /nfs/dbraw/zinc/84/67/60/382846760.db2.gz ARFRXLVYTKDNDQ-YNEHKIRRSA-N 2 0 293.480 3.000 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000228475672 382846986 /nfs/dbraw/zinc/84/69/86/382846986.db2.gz VRVWZVYLAUGJGU-LALPHHSUSA-N 2 0 266.335 2.524 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@H]21 ZINC000228473494 382847222 /nfs/dbraw/zinc/84/72/22/382847222.db2.gz MHYZOMMBGCQXGL-RCCFBDPRSA-N 2 0 270.420 2.735 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@H]([NH3+])C[C@@H]2C)o1 ZINC000577122857 382848904 /nfs/dbraw/zinc/84/89/04/382848904.db2.gz ZHTCDZSGOJZYRB-KBPBESRZSA-N 2 0 285.391 2.962 20 0 CFADRP CSc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414904804 532957932 /nfs/dbraw/zinc/95/79/32/532957932.db2.gz NZTWTUORJUTYFW-OAHLLOKOSA-N 2 0 264.438 2.888 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000575794189 382799091 /nfs/dbraw/zinc/79/90/91/382799091.db2.gz QSPFXBKODXSIGY-RCBQFDQVSA-N 2 0 274.408 2.660 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000575859765 382801676 /nfs/dbraw/zinc/80/16/76/382801676.db2.gz JOQVPBJFDOIFSS-WBVHZDCISA-N 2 0 281.488 2.619 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000575859712 382801881 /nfs/dbraw/zinc/80/18/81/382801881.db2.gz AAZZDOYGEJDODU-AWEZNQCLSA-N 2 0 252.789 2.917 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229059091 382850210 /nfs/dbraw/zinc/85/02/10/382850210.db2.gz KBDDPZARJCDKSE-BZPMIXESSA-N 2 0 250.361 2.803 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000337345925 382807221 /nfs/dbraw/zinc/80/72/21/382807221.db2.gz VPDYNFDJKADLKJ-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337357359 382809008 /nfs/dbraw/zinc/80/90/08/382809008.db2.gz BBSOFDWSUKBVPD-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337364102 382810008 /nfs/dbraw/zinc/81/00/08/382810008.db2.gz AQTJQJKFFCKQMG-FMKPAKJESA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc2cccnc12 ZINC000576160127 382812290 /nfs/dbraw/zinc/81/22/90/382812290.db2.gz WYOYBBKKGNQDNO-STQMWFEESA-N 2 0 257.381 2.759 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000337379193 382812332 /nfs/dbraw/zinc/81/23/32/382812332.db2.gz CKFRZDFRDDGBEW-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[C@H]1C[N@H+](C)CCN1C[C@H]1CCCC[NH+]1C(C)C ZINC000576152075 382812536 /nfs/dbraw/zinc/81/25/36/382812536.db2.gz BHXPXBPUZQGBOD-IAGOWNOFSA-N 2 0 281.488 2.521 20 0 CFADRP Cc1nc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000576172928 382813357 /nfs/dbraw/zinc/81/33/57/382813357.db2.gz AEMQOIJEWZRQSN-ZDUSSCGKSA-N 2 0 278.444 2.771 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000576218796 382814631 /nfs/dbraw/zinc/81/46/31/382814631.db2.gz UUSPSWRPVRYRNM-KGLIPLIRSA-N 2 0 264.413 2.776 20 0 CFADRP CC[C@H](C)[N@H+](C)C[C@H]1CCN(C)[C@H]1c1cccnc1 ZINC000337397527 382815226 /nfs/dbraw/zinc/81/52/26/382815226.db2.gz GFPYIEBAJZRMBY-IMJJTQAJSA-N 2 0 261.413 2.805 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000576315358 382818182 /nfs/dbraw/zinc/81/81/82/382818182.db2.gz PMMLRHSXBPPEAS-HZPDHXFCSA-N 2 0 283.504 2.673 20 0 CFADRP CSc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414806996 532955931 /nfs/dbraw/zinc/95/59/31/532955931.db2.gz BZZWDIWSVTWEPA-PBWFPOADSA-N 2 0 262.422 2.781 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000226331865 382826920 /nfs/dbraw/zinc/82/69/20/382826920.db2.gz NRBVLQGYBUAQFU-OBJOEFQTSA-N 2 0 250.361 2.946 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226436532 382828721 /nfs/dbraw/zinc/82/87/21/382828721.db2.gz ZXYZBGSCEYUZCN-AWEZNQCLSA-N 2 0 280.387 2.526 20 0 CFADRP CCOc1ccccc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000226436782 382828787 /nfs/dbraw/zinc/82/87/87/382828787.db2.gz WOKUJBNCIFVNGB-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000337486824 382829683 /nfs/dbraw/zinc/82/96/83/382829683.db2.gz ZJTQPMGDTPRPQV-QGZVFWFLSA-N 2 0 295.515 2.913 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000337489140 382830800 /nfs/dbraw/zinc/83/08/00/382830800.db2.gz VBADRMJAOWRMFZ-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)c2ccccc21 ZINC000576695448 382832516 /nfs/dbraw/zinc/83/25/16/382832516.db2.gz RZTNHLNPZJBXQT-STQMWFEESA-N 2 0 288.313 2.690 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C ZINC000227068609 382832584 /nfs/dbraw/zinc/83/25/84/382832584.db2.gz RLMKPNVQOHVIMY-DOTOQJQBSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000227184346 382834901 /nfs/dbraw/zinc/83/49/01/382834901.db2.gz ZGCPGZGABFCQHX-JSGCOSHPSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)oc1C ZINC000337514811 382835429 /nfs/dbraw/zinc/83/54/29/382835429.db2.gz LBMWATYYBOTQPE-GOEBONIOSA-N 2 0 294.439 2.784 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000337516685 382835501 /nfs/dbraw/zinc/83/55/01/382835501.db2.gz MARQOFMUNFPDBY-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)oc1C ZINC000337514772 382835530 /nfs/dbraw/zinc/83/55/30/382835530.db2.gz LATKPTPTYKMWMM-GFCCVEGCSA-N 2 0 250.386 2.889 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227348774 382836104 /nfs/dbraw/zinc/83/61/04/382836104.db2.gz IRJSMVSQNOCZON-KZNAEPCWSA-N 2 0 288.435 2.526 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337540673 382839450 /nfs/dbraw/zinc/83/94/50/382839450.db2.gz IFOQPOORDVFZID-XDQVBPFNSA-N 2 0 288.382 2.753 20 0 CFADRP CSCCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000229583399 382852312 /nfs/dbraw/zinc/85/23/12/382852312.db2.gz WHJGYHQZAISCJZ-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@H](C)C1 ZINC000576959128 382843124 /nfs/dbraw/zinc/84/31/24/382843124.db2.gz WOXUGOVKLULKJC-CABCVRRESA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(C)c2)c1 ZINC000236666855 382904817 /nfs/dbraw/zinc/90/48/17/382904817.db2.gz SQGQGTGECYVFSY-UHFFFAOYSA-N 2 0 286.423 2.550 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441292180 382905345 /nfs/dbraw/zinc/90/53/45/382905345.db2.gz SZGFTZVADZJTFC-BRWVUGGUSA-N 2 0 280.456 2.609 20 0 CFADRP CCC(C)(C)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000441315796 382906201 /nfs/dbraw/zinc/90/62/01/382906201.db2.gz PUWCQNSNQAMENX-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414819658 532961466 /nfs/dbraw/zinc/96/14/66/532961466.db2.gz IBAFPOCFLFVBNU-SECBINFHSA-N 2 0 267.423 2.699 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441347466 382909157 /nfs/dbraw/zinc/90/91/57/382909157.db2.gz PKTRNZQTHNKVBA-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000577513432 382861707 /nfs/dbraw/zinc/86/17/07/382861707.db2.gz NQOYYVAUMUPJAV-ZNMIVQPWSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCOc1ccccc1 ZINC000577610417 382864478 /nfs/dbraw/zinc/86/44/78/382864478.db2.gz HJKXKSWZLUWOJV-HZPDHXFCSA-N 2 0 276.424 2.905 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000577752589 382869932 /nfs/dbraw/zinc/86/99/32/382869932.db2.gz FBZOXASIVUDAFV-KZNAEPCWSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000577828687 382872223 /nfs/dbraw/zinc/87/22/23/382872223.db2.gz HJCMAQCARKQNRV-JSGCOSHPSA-N 2 0 252.427 2.658 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000577839715 382872638 /nfs/dbraw/zinc/87/26/38/382872638.db2.gz MEMYSTZAQNMRPI-CYBMUJFWSA-N 2 0 250.386 2.734 20 0 CFADRP COc1cccc2c1ccnc2N[C@@H](C)Cn1ccnc1 ZINC000235038845 382876667 /nfs/dbraw/zinc/87/66/67/382876667.db2.gz CJTUNIAYYXFMHA-LBPRGKRZSA-N 2 0 282.347 2.941 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]CC2(C)CCCCCC2)CC1(C)C ZINC000441370493 382910563 /nfs/dbraw/zinc/91/05/63/382910563.db2.gz HWCJEEGGQJAHLM-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000235435496 382881339 /nfs/dbraw/zinc/88/13/39/382881339.db2.gz VFFYSXVORPXRQL-WBMJQRKESA-N 2 0 262.397 2.699 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000578022671 382883501 /nfs/dbraw/zinc/88/35/01/382883501.db2.gz OCYMTNYXVQQSQP-ITGUQSILSA-N 2 0 268.445 2.841 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337987527 382889466 /nfs/dbraw/zinc/88/94/66/382889466.db2.gz GIRPJTLEOMUJDB-YCPHGPKFSA-N 2 0 268.420 2.979 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337996888 382894267 /nfs/dbraw/zinc/89/42/67/382894267.db2.gz ZXKDHCHQWOHQSU-DLBZAZTESA-N 2 0 299.478 2.522 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000236587654 382895538 /nfs/dbraw/zinc/89/55/38/382895538.db2.gz ROUHQLARTMEGMT-QGZVFWFLSA-N 2 0 274.408 2.845 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000236596144 382896721 /nfs/dbraw/zinc/89/67/21/382896721.db2.gz ROUHQLARTMEGMT-KRWDZBQOSA-N 2 0 274.408 2.845 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338164949 382939442 /nfs/dbraw/zinc/93/94/42/382939442.db2.gz ALXRAXBFDGYUBY-NVXWUHKLSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)[C@@H]1C ZINC000494914905 382939813 /nfs/dbraw/zinc/93/98/13/382939813.db2.gz MBDMPSJWJMDIFA-FMKPAKJESA-N 2 0 276.424 2.761 20 0 CFADRP FC(F)C1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000442644686 382939896 /nfs/dbraw/zinc/93/98/96/382939896.db2.gz HVSZNVJRHFQSPR-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(C/C=C/c2ccncc2)C1 ZINC000494990438 382950366 /nfs/dbraw/zinc/95/03/66/382950366.db2.gz AEZIPQKGDCWNEK-FUTAKVPZSA-N 2 0 273.424 2.759 20 0 CFADRP C(=C\c1ccncc1)\C[NH+]1CCC(n2ccnc2)CC1 ZINC000494990714 382951028 /nfs/dbraw/zinc/95/10/28/382951028.db2.gz BWBVGGLSEIOLHN-UPHRSURJSA-N 2 0 268.364 2.628 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ncc(-c3ccccc3)cn2)CC1 ZINC000578348119 382912927 /nfs/dbraw/zinc/91/29/27/382912927.db2.gz JYPQSEGKQULWBG-UHFFFAOYSA-N 2 0 282.391 2.503 20 0 CFADRP Cc1ccnc(C)c1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455450462 382916482 /nfs/dbraw/zinc/91/64/82/382916482.db2.gz ZMXRMEYGTCIUNX-UHFFFAOYSA-N 2 0 290.411 2.694 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)o1 ZINC000578482641 382924595 /nfs/dbraw/zinc/92/45/95/382924595.db2.gz GSWATCCVHQQZRS-GDBMZVCRSA-N 2 0 294.439 2.784 20 0 CFADRP CCc1cccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000578514209 382927416 /nfs/dbraw/zinc/92/74/16/382927416.db2.gz GDKDCGJUDGVMEN-AWEZNQCLSA-N 2 0 255.365 2.619 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC000494814245 382931440 /nfs/dbraw/zinc/93/14/40/382931440.db2.gz ZSJWODNFYIGGGI-ARKGTOAJSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442880676 382963356 /nfs/dbraw/zinc/96/33/56/382963356.db2.gz XSCVWGOXKWHTTB-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000578558458 382932605 /nfs/dbraw/zinc/93/26/05/382932605.db2.gz OXQTUGNQCZMYEQ-FVQBIDKESA-N 2 0 250.430 2.885 20 0 CFADRP Cn1ccnc1[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000534581736 382934248 /nfs/dbraw/zinc/93/42/48/382934248.db2.gz WKODSLKDRAIYEX-MRXNPFEDSA-N 2 0 269.392 2.842 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578593301 382935005 /nfs/dbraw/zinc/93/50/05/382935005.db2.gz DLYZLBFKWPZZCN-FZKCQIBNSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000422940024 532963603 /nfs/dbraw/zinc/96/36/03/532963603.db2.gz MWYZMYMZYYNYFE-SFYZADRCSA-N 2 0 277.231 2.726 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C[NH3+] ZINC000422563438 382973996 /nfs/dbraw/zinc/97/39/96/382973996.db2.gz SWJUMVMAYRTVOH-IOASZLSFSA-N 2 0 299.418 2.746 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC000422699579 382975166 /nfs/dbraw/zinc/97/51/66/382975166.db2.gz DRRMPAZBWDWFIO-RHSMWYFYSA-N 2 0 260.425 2.824 20 0 CFADRP CCc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422732486 382976142 /nfs/dbraw/zinc/97/61/42/382976142.db2.gz OORKMUZSBWYTAR-QGTPRVQTSA-N 2 0 289.467 2.582 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000422748709 382978024 /nfs/dbraw/zinc/97/80/24/382978024.db2.gz VSQZEDZWFOPTTK-UHFFFAOYSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422750222 382978338 /nfs/dbraw/zinc/97/83/38/382978338.db2.gz CLJRGCKNUDXDNF-ZACQAIPSSA-N 2 0 258.409 2.794 20 0 CFADRP Cc1ccc([C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775201 382979476 /nfs/dbraw/zinc/97/94/76/382979476.db2.gz ANSFONZVBVINMG-JQHSSLGASA-N 2 0 289.467 2.718 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]2CCO[C@H]21 ZINC000422783533 382979747 /nfs/dbraw/zinc/97/97/47/382979747.db2.gz MZBJSCDUGXWHGZ-YIDVYQOGSA-N 2 0 272.392 2.534 20 0 CFADRP CC[C@H](CN[C@H](C)C[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422807373 382981107 /nfs/dbraw/zinc/98/11/07/382981107.db2.gz MMRLOHGABZBUGX-HDMKZQKVSA-N 2 0 289.467 2.539 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000548773266 382981273 /nfs/dbraw/zinc/98/12/73/382981273.db2.gz ILGHHMQUXDNUQC-NVXWUHKLSA-N 2 0 282.472 2.854 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799907 382981227 /nfs/dbraw/zinc/98/12/27/382981227.db2.gz AGZVVSDCNNNARG-ZJIFWQFVSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422807898 382981332 /nfs/dbraw/zinc/98/13/32/382981332.db2.gz KFKGZASZILBZOJ-PVAVHDDUSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000422818655 382981789 /nfs/dbraw/zinc/98/17/89/382981789.db2.gz GTNZUICDOMLHCV-WMLDXEAASA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422837078 382982720 /nfs/dbraw/zinc/98/27/20/382982720.db2.gz LGPPMUJUISOGOB-MSOLQXFVSA-N 3 0 295.515 2.994 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422858066 382983753 /nfs/dbraw/zinc/98/37/53/382983753.db2.gz IEYAZQBPQGVTRK-COXVUDFISA-N 2 0 273.424 2.595 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422882881 382985081 /nfs/dbraw/zinc/98/50/81/382985081.db2.gz BKIIRLXFHDWHPU-BMFZPTHFSA-N 2 0 274.408 2.802 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422873476 382985292 /nfs/dbraw/zinc/98/52/92/382985292.db2.gz ANDBFAQHMCIQKC-XDNAFOTISA-N 3 0 295.515 2.722 20 0 CFADRP CC[NH+](CC)CCCN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000338309529 382986867 /nfs/dbraw/zinc/98/68/67/382986867.db2.gz VOMYVVANYRFMDT-CVEARBPZSA-N 2 0 269.477 2.523 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000422906019 382986980 /nfs/dbraw/zinc/98/69/80/382986980.db2.gz TYUQECWBXNFCDM-YVSFHVDLSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422894273 382987139 /nfs/dbraw/zinc/98/71/39/382987139.db2.gz BXIZBLMIHZECGB-GFCCVEGCSA-N 2 0 250.361 2.574 20 0 CFADRP Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422921396 382987997 /nfs/dbraw/zinc/98/79/97/382987997.db2.gz OBYBJTCGLVTPSA-HLLBOEOZSA-N 2 0 260.425 2.965 20 0 CFADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422923277 382988552 /nfs/dbraw/zinc/98/85/52/382988552.db2.gz VTEYSCJHHLGKDQ-RBSFLKMASA-N 2 0 256.434 2.545 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000579194496 382990178 /nfs/dbraw/zinc/99/01/78/382990178.db2.gz JNXCHLSWFVNOSJ-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCOCc2ccc(Cl)cc2)C1 ZINC000338322298 382990708 /nfs/dbraw/zinc/99/07/08/382990708.db2.gz IILRKVJEJMYDDH-CZUORRHYSA-N 2 0 296.842 2.786 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000422973271 382990909 /nfs/dbraw/zinc/99/09/09/382990909.db2.gz OAGXTCGAPXHKPO-USXIJHARSA-N 2 0 258.409 2.891 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422982636 382995619 /nfs/dbraw/zinc/99/56/19/382995619.db2.gz XIKIFEYFDBGYRE-TWMKSMIVSA-N 2 0 282.472 2.684 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422987901 382997361 /nfs/dbraw/zinc/99/73/61/382997361.db2.gz HSFQQKPDULXVET-HSFUPAIVSA-N 2 0 294.483 2.828 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)[C@H]1OC ZINC000422986789 382997711 /nfs/dbraw/zinc/99/77/11/382997711.db2.gz HJDDEKWOZYHVEE-XXNZCANZSA-N 2 0 280.456 2.699 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)[C@H]1OC ZINC000422986787 382997832 /nfs/dbraw/zinc/99/78/32/382997832.db2.gz HJDDEKWOZYHVEE-RJLZZXOHSA-N 2 0 280.456 2.699 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422990918 382998868 /nfs/dbraw/zinc/99/88/68/382998868.db2.gz AJRFVCUUSRBWDX-IKGGRYGDSA-N 3 0 281.488 2.604 20 0 CFADRP CC(C)C1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000422989583 382999117 /nfs/dbraw/zinc/99/91/17/382999117.db2.gz LWPRYYUEHLKNMZ-LMCYLSQRSA-N 2 0 282.472 2.791 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423024189 383017894 /nfs/dbraw/zinc/01/78/94/383017894.db2.gz LFPCUXQFXYEZQU-KBPBESRZSA-N 2 0 264.800 2.841 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000422991101 383000131 /nfs/dbraw/zinc/00/01/31/383000131.db2.gz PFBQAUOGOHXPFV-ADHGMGHFSA-N 2 0 270.420 2.693 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000422994445 383001399 /nfs/dbraw/zinc/00/13/99/383001399.db2.gz HPQQTRRUYBKCOB-NVXWUHKLSA-N 2 0 272.436 2.987 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422999468 383002704 /nfs/dbraw/zinc/00/27/04/383002704.db2.gz FFTQZMUAOBSUNR-CJNGLKHVSA-N 2 0 276.424 2.690 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCc1ccccn1 ZINC000422999859 383004053 /nfs/dbraw/zinc/00/40/53/383004053.db2.gz TWGGJOAPXQQHSH-DOTOQJQBSA-N 2 0 275.440 2.915 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422999547 383004224 /nfs/dbraw/zinc/00/42/24/383004224.db2.gz SPXSENMPJNGABF-NVXWUHKLSA-N 2 0 276.424 2.735 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423002648 383005320 /nfs/dbraw/zinc/00/53/20/383005320.db2.gz GLLMGKFHTUMLJI-OJDYBEQGSA-N 2 0 262.397 2.518 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423002651 383005347 /nfs/dbraw/zinc/00/53/47/383005347.db2.gz GLLMGKFHTUMLJI-VZAMPYOESA-N 2 0 262.397 2.518 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423002490 383005867 /nfs/dbraw/zinc/00/58/67/383005867.db2.gz JJTIVYVOMIWFIO-BXUZGUMPSA-N 2 0 282.815 2.956 20 0 CFADRP CC(C)[NH+](CCCN[C@H](C)c1c[nH+]ccc1N)C(C)C ZINC000423007933 383010109 /nfs/dbraw/zinc/01/01/09/383010109.db2.gz RVZLUCKXKMJFIB-CQSZACIVSA-N 2 0 278.444 2.654 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013699 383011467 /nfs/dbraw/zinc/01/14/67/383011467.db2.gz NILXXSALJSQGHD-KBPBESRZSA-N 2 0 258.475 2.886 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423016442 383012715 /nfs/dbraw/zinc/01/27/15/383012715.db2.gz SYHPYQUXTAHINN-GOEBONIOSA-N 2 0 289.423 2.620 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCCO1 ZINC000423016725 383012967 /nfs/dbraw/zinc/01/29/67/383012967.db2.gz UKEXIJZSPOISGZ-QXSJWSMHSA-N 2 0 260.381 2.678 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423016444 383012999 /nfs/dbraw/zinc/01/29/99/383012999.db2.gz SYHPYQUXTAHINN-HOCLYGCPSA-N 2 0 289.423 2.620 20 0 CFADRP CCCCn1cc(C[NH2+][C@@H](C)CCCC[NH3+])c(C)n1 ZINC000423015832 383013059 /nfs/dbraw/zinc/01/30/59/383013059.db2.gz LIRPSGKJSXLEAL-ZDUSSCGKSA-N 2 0 266.433 2.599 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423019102 383015417 /nfs/dbraw/zinc/01/54/17/383015417.db2.gz TYPPYKAGSFNJEV-HFBAOOFYSA-N 2 0 298.377 2.902 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423019345 383015466 /nfs/dbraw/zinc/01/54/66/383015466.db2.gz VIPAJJQEHHGBJE-JMSVASOKSA-N 2 0 268.376 2.619 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423019103 383015602 /nfs/dbraw/zinc/01/56/02/383015602.db2.gz TYPPYKAGSFNJEV-LYRGGWFBSA-N 2 0 298.377 2.902 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423047162 383028359 /nfs/dbraw/zinc/02/83/59/383028359.db2.gz GPHHURMJKIKTMV-YEWWUXTCSA-N 2 0 288.435 2.845 20 0 CFADRP C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423046745 383028370 /nfs/dbraw/zinc/02/83/70/383028370.db2.gz UMDJBGNYMAENJF-LISAXSMJSA-N 2 0 289.467 2.612 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423047296 383029772 /nfs/dbraw/zinc/02/97/72/383029772.db2.gz HAYLHRAABJMNLZ-XFBWCDHKSA-N 2 0 288.391 2.583 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2ccc(F)cc21 ZINC000423055736 383034033 /nfs/dbraw/zinc/03/40/33/383034033.db2.gz WKTLFNWCYGBGMX-MLGOLLRUSA-N 2 0 289.398 2.577 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c2ccc(F)cc21 ZINC000423055738 383034420 /nfs/dbraw/zinc/03/44/20/383034420.db2.gz WKTLFNWCYGBGMX-WBMJQRKESA-N 2 0 289.398 2.577 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423060539 383035341 /nfs/dbraw/zinc/03/53/41/383035341.db2.gz OUEAKNBBAWRAHY-NXOAAHMSSA-N 2 0 258.409 2.867 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)[C@H](C)C2 ZINC000423390748 383078377 /nfs/dbraw/zinc/07/83/77/383078377.db2.gz KJRSTTWFNXCFEB-BQGCOEIASA-N 2 0 258.409 2.816 20 0 CFADRP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423061321 383036553 /nfs/dbraw/zinc/03/65/53/383036553.db2.gz QOPAXYLRTWBRIZ-MNEFBYGVSA-N 2 0 296.414 2.633 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000423062163 383036597 /nfs/dbraw/zinc/03/65/97/383036597.db2.gz MKJZBHNBULOWBZ-UONOGXRCSA-N 2 0 279.453 2.801 20 0 CFADRP CSCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423062138 383037454 /nfs/dbraw/zinc/03/74/54/383037454.db2.gz SPKAGLXZJZYFML-XYPWUTKMSA-N 2 0 276.449 2.922 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000423066542 383038856 /nfs/dbraw/zinc/03/88/56/383038856.db2.gz WZQSYSKSPJIJJL-CQDKDKBSSA-N 2 0 278.371 2.756 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423388774 383078639 /nfs/dbraw/zinc/07/86/39/383078639.db2.gz IUAZWZHVUVMYPP-JQFCIGGWSA-N 2 0 278.415 2.980 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423075788 383040924 /nfs/dbraw/zinc/04/09/24/383040924.db2.gz PGTYNTQSSDXHSQ-OWSLCNJRSA-N 2 0 288.435 2.871 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423075789 383041328 /nfs/dbraw/zinc/04/13/28/383041328.db2.gz PGTYNTQSSDXHSQ-XDNAFOTISA-N 2 0 288.435 2.871 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@@H](C)C3C[NH2+]C3)CCC2)cc1C ZINC000423086854 383041667 /nfs/dbraw/zinc/04/16/67/383041667.db2.gz MSHUQXOKSUMFRB-HNNXBMFYSA-N 2 0 272.436 2.923 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423128027 383044169 /nfs/dbraw/zinc/04/41/69/383044169.db2.gz UQTYNZUZQIWLPG-XYPHTWIQSA-N 2 0 275.440 2.841 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000579701914 383044189 /nfs/dbraw/zinc/04/41/89/383044189.db2.gz PDOCNBFYGYNJHT-BMGDILEWSA-N 2 0 296.418 2.673 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccn1 ZINC000423150463 383045295 /nfs/dbraw/zinc/04/52/95/383045295.db2.gz ZATGVWHWJMFORZ-RDJZCZTQSA-N 2 0 297.446 2.907 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245907042 383046572 /nfs/dbraw/zinc/04/65/72/383046572.db2.gz FIYMYDLKGYFUSI-IXDOHACOSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000423167411 383046760 /nfs/dbraw/zinc/04/67/60/383046760.db2.gz FCHCKXDRIQBRBK-OEAJRASXSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423172459 383047588 /nfs/dbraw/zinc/04/75/88/383047588.db2.gz SZIVKAYUJQRONV-IXDOHACOSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000423172458 383047594 /nfs/dbraw/zinc/04/75/94/383047594.db2.gz SZIVKAYUJQRONV-IKGGRYGDSA-N 3 0 281.488 2.619 20 0 CFADRP [NH3+]CCN[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423193260 383048808 /nfs/dbraw/zinc/04/88/08/383048808.db2.gz VRFZZFWGCSPOPT-LBPRGKRZSA-N 2 0 291.395 2.875 20 0 CFADRP [NH3+]CCN[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423193259 383049134 /nfs/dbraw/zinc/04/91/34/383049134.db2.gz VRFZZFWGCSPOPT-GFCCVEGCSA-N 2 0 291.395 2.875 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000423219239 383050650 /nfs/dbraw/zinc/05/06/50/383050650.db2.gz SZBAKBKUVIGHAQ-MBNYWOFBSA-N 2 0 250.386 2.935 20 0 CFADRP CCC1CC([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000551788931 383050686 /nfs/dbraw/zinc/05/06/86/383050686.db2.gz JTUUJSXOSPLHIO-UHFFFAOYSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000338783728 383051241 /nfs/dbraw/zinc/05/12/41/383051241.db2.gz HFLRQADJEXBUKW-ZHCJQAHYSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000338783726 383051464 /nfs/dbraw/zinc/05/14/64/383051464.db2.gz HFLRQADJEXBUKW-MUIFIZLQSA-N 2 0 280.456 2.797 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000423261781 383053576 /nfs/dbraw/zinc/05/35/76/383053576.db2.gz KVMQJPNREPZNMD-BMFZPTHFSA-N 2 0 264.413 2.726 20 0 CFADRP c1cncc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423272965 383055398 /nfs/dbraw/zinc/05/53/98/383055398.db2.gz KKGAHYAJZZQZDN-PBHICJAKSA-N 2 0 273.424 2.902 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423295829 383056824 /nfs/dbraw/zinc/05/68/24/383056824.db2.gz FVEOVRYUPXPFEA-MFKMUULPSA-N 2 0 268.788 2.738 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CCCc2nc(C)sc21 ZINC000423297199 383056829 /nfs/dbraw/zinc/05/68/29/383056829.db2.gz JDLXBLDUMDDSGL-DGCLKSJQSA-N 2 0 267.442 2.936 20 0 CFADRP c1ccc([C@H]2CCCC[C@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423305242 383056877 /nfs/dbraw/zinc/05/68/77/383056877.db2.gz QCPXBJJZIAHKCJ-IRXDYDNUSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000423291135 383056958 /nfs/dbraw/zinc/05/69/58/383056958.db2.gz GZNRXCFPUVGIDW-OKDNKWQNSA-N 3 0 287.451 2.669 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@H]1CCc2c1ccc(OC)c2F ZINC000423295076 383057193 /nfs/dbraw/zinc/05/71/93/383057193.db2.gz DKRGNIOSXCNFGN-FZMZJTMJSA-N 2 0 280.387 2.929 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C12CCCC2 ZINC000423346801 383060055 /nfs/dbraw/zinc/06/00/55/383060055.db2.gz QGTFYWQFYUXDHV-XHSDSOJGSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423353374 383060814 /nfs/dbraw/zinc/06/08/14/383060814.db2.gz BMCVNQHHZQYCAC-MLGOLLRUSA-N 2 0 260.381 2.510 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423353030 383061167 /nfs/dbraw/zinc/06/11/67/383061167.db2.gz LGXXPZFXINNEER-JZXOWHBKSA-N 2 0 285.435 2.863 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356143 383062123 /nfs/dbraw/zinc/06/21/23/383062123.db2.gz JDZXVUIYLKQGFH-DOMZBBRYSA-N 2 0 260.381 2.501 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423363192 383065255 /nfs/dbraw/zinc/06/52/55/383065255.db2.gz NQJYCYDEHSVNOL-OWCLPIDISA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552055011 383066977 /nfs/dbraw/zinc/06/69/77/383066977.db2.gz XAPMCQZAUSJHLZ-QCODTGAPSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cc(Cl)cc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000552042630 383066989 /nfs/dbraw/zinc/06/69/89/383066989.db2.gz RDINLWQNSRTEJC-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423369441 383067954 /nfs/dbraw/zinc/06/79/54/383067954.db2.gz CDRPOTCOPDNESC-MUIFIZLQSA-N 2 0 288.435 2.963 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423374313 383070167 /nfs/dbraw/zinc/07/01/67/383070167.db2.gz JTAMKZUGSJOBMU-APIJFGDWSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423376201 383070980 /nfs/dbraw/zinc/07/09/80/383070980.db2.gz KVWINCBRRTTXSP-MMYVAXCBSA-N 2 0 262.372 2.789 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423376689 383071368 /nfs/dbraw/zinc/07/13/68/383071368.db2.gz YLDWIYCMJSECHQ-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423382843 383074786 /nfs/dbraw/zinc/07/47/86/383074786.db2.gz JXRJNPBPZIMKKV-CYBMUJFWSA-N 2 0 274.408 2.585 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])CCC2)cc1 ZINC000423029225 383019786 /nfs/dbraw/zinc/01/97/86/383019786.db2.gz HTGDHILYTLRYDA-WMLDXEAASA-N 2 0 288.435 2.834 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])CCC2)cc1 ZINC000423029224 383020000 /nfs/dbraw/zinc/02/00/00/383020000.db2.gz HTGDHILYTLRYDA-RHSMWYFYSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423030752 383020173 /nfs/dbraw/zinc/02/01/73/383020173.db2.gz WFJWSLVWWGXDTQ-GHMZBOCLSA-N 2 0 269.458 2.699 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCNc1ccccc1F ZINC000423035587 383022333 /nfs/dbraw/zinc/02/23/33/383022333.db2.gz RXPXSPVTPPAAFC-ZDUSSCGKSA-N 2 0 267.392 2.735 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1nccs1 ZINC000423035348 383022600 /nfs/dbraw/zinc/02/26/00/383022600.db2.gz JFRNETAYTMBXJM-NFAWXSAZSA-N 2 0 289.448 2.795 20 0 CFADRP CC[C@@H]([NH2+]CCCNc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423035215 383022679 /nfs/dbraw/zinc/02/26/79/383022679.db2.gz RDAZOHLLUOQXLG-CVEARBPZSA-N 2 0 279.403 2.748 20 0 CFADRP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423035064 383022763 /nfs/dbraw/zinc/02/27/63/383022763.db2.gz YLHSYPAJGVVPLL-ZOWXZIJZSA-N 2 0 268.376 2.619 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+](C[C@H]1CCCO1)C1CCCC1 ZINC000245700226 383022869 /nfs/dbraw/zinc/02/28/69/383022869.db2.gz XLXPNRKMQFIFOS-DOTOQJQBSA-N 2 0 280.456 2.894 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000423038241 383024877 /nfs/dbraw/zinc/02/48/77/383024877.db2.gz OCUPYIJLYBTCQA-WXHSDQCUSA-N 2 0 267.442 2.662 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCC2 ZINC000423039377 383025416 /nfs/dbraw/zinc/02/54/16/383025416.db2.gz FGQCMOKAXSDMCC-JQWIXIFHSA-N 2 0 267.442 2.936 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423041572 383025727 /nfs/dbraw/zinc/02/57/27/383025727.db2.gz JNGOMECORNUPKX-SRVKXCTJSA-N 2 0 299.821 2.773 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423041573 383026420 /nfs/dbraw/zinc/02/64/20/383026420.db2.gz JNGOMECORNUPKX-TUAOUCFPSA-N 2 0 299.821 2.773 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423042462 383026702 /nfs/dbraw/zinc/02/67/02/383026702.db2.gz ZIOSMPUFEIJFNE-RAIGVLPGSA-N 2 0 267.442 2.662 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423043068 383027146 /nfs/dbraw/zinc/02/71/46/383027146.db2.gz NEWGWQFUZSLBJF-LVQVYYBASA-N 2 0 268.445 2.830 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245721778 383027075 /nfs/dbraw/zinc/02/70/75/383027075.db2.gz HYTSXRATLPVRDH-YOEHRIQHSA-N 2 0 276.424 2.857 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCC2 ZINC000423043741 383027518 /nfs/dbraw/zinc/02/75/18/383027518.db2.gz PVNLBNJJPFAPOB-ONGXEEELSA-N 2 0 253.415 2.546 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423491637 383119543 /nfs/dbraw/zinc/11/95/43/383119543.db2.gz KDFFSJODRVXRMB-GZBFAFLISA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423492899 383119927 /nfs/dbraw/zinc/11/99/27/383119927.db2.gz OXTAOTNYRQXOOP-HRCADAONSA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423497123 383121432 /nfs/dbraw/zinc/12/14/32/383121432.db2.gz YFVBVFVUFYJKPB-CFVMTHIKSA-N 2 0 292.423 2.872 20 0 CFADRP COCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423497586 383121526 /nfs/dbraw/zinc/12/15/26/383121526.db2.gz GZTMPRPQKRSVCW-ZBFHGGJFSA-N 2 0 264.413 2.871 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000423497846 383122090 /nfs/dbraw/zinc/12/20/90/383122090.db2.gz HMKSIOLLHNCRJI-KSZLIROESA-N 3 0 287.451 2.683 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000423497847 383122923 /nfs/dbraw/zinc/12/29/23/383122923.db2.gz HMKSIOLLHNCRJI-KURKYZTESA-N 3 0 287.451 2.683 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000423497679 383122938 /nfs/dbraw/zinc/12/29/38/383122938.db2.gz HFROOAAPEHVJKN-DJIMGWMZSA-N 2 0 275.440 2.539 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1(C)C ZINC000423500675 383123979 /nfs/dbraw/zinc/12/39/79/383123979.db2.gz IOQMKNWITNQZPS-CBBWQLFWSA-N 2 0 268.445 2.543 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423502691 383124196 /nfs/dbraw/zinc/12/41/96/383124196.db2.gz MFYYWWJRTGDPHN-IPMKNSEASA-N 2 0 295.430 2.983 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423542737 383126330 /nfs/dbraw/zinc/12/63/30/383126330.db2.gz MQTDELNPPHDUQT-MPTYRVRUSA-N 2 0 286.419 2.878 20 0 CFADRP C([C@@H]1CCCCO1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247132251 383145887 /nfs/dbraw/zinc/14/58/87/383145887.db2.gz QNBILUIFDHISKT-CVEARBPZSA-N 2 0 266.429 2.506 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423556910 383127742 /nfs/dbraw/zinc/12/77/42/383127742.db2.gz NAHSDHADZSEDPN-HUUCEWRRSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547241 383127854 /nfs/dbraw/zinc/12/78/54/383127854.db2.gz FYCIUCZJRRINJY-OAHLLOKOSA-N 2 0 258.409 2.907 20 0 CFADRP Cc1cccc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000449013495 383133164 /nfs/dbraw/zinc/13/31/64/383133164.db2.gz LEIXTMRWKYQIBK-KRWDZBQOSA-N 2 0 260.425 2.811 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066854 383137981 /nfs/dbraw/zinc/13/79/81/383137981.db2.gz IFNXKMVSXFRUSD-SJORKVTESA-N 2 0 288.435 2.763 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247069877 383139090 /nfs/dbraw/zinc/13/90/90/383139090.db2.gz OEJCKATZGLPVBA-QXSJWSMHSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423394762 383081169 /nfs/dbraw/zinc/08/11/69/383081169.db2.gz SHQYJHMCMWFYNP-APIJFGDWSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423400308 383083303 /nfs/dbraw/zinc/08/33/03/383083303.db2.gz QFJHCVTVVUUHLF-XJKCOSOUSA-N 2 0 272.392 2.951 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000423401745 383083525 /nfs/dbraw/zinc/08/35/25/383083525.db2.gz XGFHQKPKVHIQMT-CFVMTHIKSA-N 2 0 290.407 2.639 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000423402888 383084592 /nfs/dbraw/zinc/08/45/92/383084592.db2.gz XFKQFOZFLPEMNL-GFCCVEGCSA-N 2 0 298.377 2.632 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407032 383085581 /nfs/dbraw/zinc/08/55/81/383085581.db2.gz LOVMOQOCMOYBMZ-LSDHHAIUSA-N 2 0 270.461 2.807 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC[NH2+]CC1 ZINC000423409532 383086417 /nfs/dbraw/zinc/08/64/17/383086417.db2.gz QGSIPYSRDICZSZ-LSDHHAIUSA-N 2 0 286.435 2.511 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H]2CCCO[C@H]21 ZINC000423407322 383086458 /nfs/dbraw/zinc/08/64/58/383086458.db2.gz ZVDGFJOPBVDZIN-BRWVUGGUSA-N 2 0 286.419 2.583 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423408314 383086749 /nfs/dbraw/zinc/08/67/49/383086749.db2.gz XGFXLMFUILCRNG-OHFALNGGSA-N 2 0 273.424 2.695 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423410178 383087036 /nfs/dbraw/zinc/08/70/36/383087036.db2.gz RKLCLUXEPQDCOQ-GJZGRUSLSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000423407246 383087040 /nfs/dbraw/zinc/08/70/40/383087040.db2.gz ZPABOKHTMUQABR-IXDOHACOSA-N 2 0 258.409 2.867 20 0 CFADRP CCc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)nc1 ZINC000338923603 383087749 /nfs/dbraw/zinc/08/77/49/383087749.db2.gz DESDRAAFRCTQJR-UHFFFAOYSA-N 2 0 275.440 2.808 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000423410827 383087895 /nfs/dbraw/zinc/08/78/95/383087895.db2.gz DQTOZBYJQKEIMD-DKIMLUQUSA-N 2 0 288.435 2.537 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1O ZINC000423416143 383089273 /nfs/dbraw/zinc/08/92/73/383089273.db2.gz BXRIDXYVDYHDHI-IHRRRGAJSA-N 2 0 292.423 2.817 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000423417450 383089902 /nfs/dbraw/zinc/08/99/02/383089902.db2.gz FLCKCFKWLWHQOP-KFGODFMUSA-N 2 0 294.483 2.936 20 0 CFADRP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423424041 383090829 /nfs/dbraw/zinc/09/08/29/383090829.db2.gz FHTCRTPTIGMIFJ-XJBGLIRHSA-N 2 0 276.811 2.784 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423422598 383090937 /nfs/dbraw/zinc/09/09/37/383090937.db2.gz BNAIGSFWWBVKSF-CAOSSQGBSA-N 2 0 268.420 2.883 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423431154 383093578 /nfs/dbraw/zinc/09/35/78/383093578.db2.gz LKEJLSCGBBGCQW-OLZOCXBDSA-N 2 0 262.397 2.885 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423435508 383095098 /nfs/dbraw/zinc/09/50/98/383095098.db2.gz OTCMGEIKEGAGBY-YCPHGPKFSA-N 2 0 264.413 2.870 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)c1nc2ccccc2s1 ZINC000423444041 383098128 /nfs/dbraw/zinc/09/81/28/383098128.db2.gz WEDQSXZQCYQWJT-QHUBEEEXSA-N 2 0 287.432 2.596 20 0 CFADRP COCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246747853 383099263 /nfs/dbraw/zinc/09/92/63/383099263.db2.gz RRRQKOZWWJBDOU-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000584404696 383099734 /nfs/dbraw/zinc/09/97/34/383099734.db2.gz MPJNIOGYBSYVJL-UWVGGRQHSA-N 2 0 258.768 2.985 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OC ZINC000423455615 383102254 /nfs/dbraw/zinc/10/22/54/383102254.db2.gz CTHURCWTIXDUDB-VOAKCMCISA-N 2 0 280.412 2.521 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1OC ZINC000423462804 383105304 /nfs/dbraw/zinc/10/53/04/383105304.db2.gz FDKMBBJMNALQAT-LXTVHRRPSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423464617 383105430 /nfs/dbraw/zinc/10/54/30/383105430.db2.gz MHLXQSPVLKLAPO-SIUPQYRZSA-N 2 0 254.418 2.582 20 0 CFADRP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000423465113 383106220 /nfs/dbraw/zinc/10/62/20/383106220.db2.gz WMMQEEGETOBZKU-UONOGXRCSA-N 2 0 294.439 2.660 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000423470853 383108328 /nfs/dbraw/zinc/10/83/28/383108328.db2.gz DMTBBRKLGRLLMO-YPMHNXCESA-N 2 0 297.830 2.926 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423471797 383108347 /nfs/dbraw/zinc/10/83/47/383108347.db2.gz QAAPNPFEVKZZGZ-OBJOEFQTSA-N 2 0 250.386 2.514 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423471795 383108587 /nfs/dbraw/zinc/10/85/87/383108587.db2.gz QAAPNPFEVKZZGZ-BZPMIXESSA-N 2 0 250.386 2.514 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423472829 383109560 /nfs/dbraw/zinc/10/95/60/383109560.db2.gz NJPNFUXXMZMVKY-FFSVYQOJSA-N 2 0 292.398 2.929 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423472834 383109773 /nfs/dbraw/zinc/10/97/73/383109773.db2.gz NJPNFUXXMZMVKY-GHJWDPDVSA-N 2 0 292.398 2.929 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423474345 383110591 /nfs/dbraw/zinc/11/05/91/383110591.db2.gz QZZYTRAAFMBKBK-LSDHHAIUSA-N 2 0 252.377 2.720 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1C ZINC000246845945 383112521 /nfs/dbraw/zinc/11/25/21/383112521.db2.gz BDXLLIIPYSWFLS-IJEWVQPXSA-N 2 0 276.424 2.822 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000246859432 383113474 /nfs/dbraw/zinc/11/34/74/383113474.db2.gz BWALXUPBBQXJRV-HLLBOEOZSA-N 2 0 287.451 2.510 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000246869982 383114572 /nfs/dbraw/zinc/11/45/72/383114572.db2.gz CNGAFWZZNHTCJI-GOEBONIOSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCO2 ZINC000246864242 383114841 /nfs/dbraw/zinc/11/48/41/383114841.db2.gz CQHIRTHDGCOYKD-NWANDNLSSA-N 2 0 290.407 2.939 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423489676 383117778 /nfs/dbraw/zinc/11/77/78/383117778.db2.gz WTJRAOFGQOFKSG-HIFRSBDPSA-N 2 0 261.413 2.827 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423490046 383117887 /nfs/dbraw/zinc/11/78/87/383117887.db2.gz HISUKZHCENBUHP-IFIJOSMWSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000423488448 383118075 /nfs/dbraw/zinc/11/80/75/383118075.db2.gz DOHNOVIFDLKIQU-NTZNESFSSA-N 2 0 250.411 2.843 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423492009 383118977 /nfs/dbraw/zinc/11/89/77/383118977.db2.gz LDBGGEYHJFPWTF-SQWLQELKSA-N 2 0 284.407 2.650 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449091440 383171139 /nfs/dbraw/zinc/17/11/39/383171139.db2.gz JHZTYGSVPOBMEL-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449095538 383174029 /nfs/dbraw/zinc/17/40/29/383174029.db2.gz ZFJSERBLHBQWOT-DZGCQCFKSA-N 2 0 250.386 2.532 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449107166 383178447 /nfs/dbraw/zinc/17/84/47/383178447.db2.gz OTNXSZJRXUHIQL-UKRRQHHQSA-N 2 0 250.386 2.532 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449129042 383180014 /nfs/dbraw/zinc/18/00/14/383180014.db2.gz BCCDECOVVRVWNB-HZPDHXFCSA-N 2 0 280.456 2.798 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339181779 383180554 /nfs/dbraw/zinc/18/05/54/383180554.db2.gz DVVSTHXVILPLCV-UHFFFAOYSA-N 2 0 284.831 2.706 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449161564 383180686 /nfs/dbraw/zinc/18/06/86/383180686.db2.gz PIIREWNRSPTCEV-RDJZCZTQSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000449146408 383181123 /nfs/dbraw/zinc/18/11/23/383181123.db2.gz CFQYTAHRRWLHDW-QZWWFDLISA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000517539780 383184909 /nfs/dbraw/zinc/18/49/09/383184909.db2.gz FTSBFJLOYVEPCM-CQSZACIVSA-N 2 0 286.423 2.917 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(C)o1 ZINC000519381379 383213121 /nfs/dbraw/zinc/21/31/21/383213121.db2.gz CGCPDUZIGPWOBW-DJIMGWMZSA-N 2 0 291.439 2.734 20 0 CFADRP Cc1cc(F)c(C[NH2+]CCCC[NH+](C)C)c(F)c1 ZINC000424140765 383187561 /nfs/dbraw/zinc/18/75/61/383187561.db2.gz BSUKLSNFXVTYBX-UHFFFAOYSA-N 2 0 256.340 2.705 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422806454 532972582 /nfs/dbraw/zinc/97/25/82/532972582.db2.gz KTWLCEUIZIPTRU-VHSXEESVSA-N 2 0 256.390 2.763 20 0 CFADRP Cc1cc(F)c(C[NH2+]CC2CC[NH+](C)CC2)c(F)c1 ZINC000424163957 383195288 /nfs/dbraw/zinc/19/52/88/383195288.db2.gz YHVIWIHRYBPXMV-UHFFFAOYSA-N 2 0 268.351 2.705 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000518339638 383195564 /nfs/dbraw/zinc/19/55/64/383195564.db2.gz XBMGWJMULABTIW-SHTZXODSSA-N 2 0 298.434 2.931 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000518396752 383196258 /nfs/dbraw/zinc/19/62/58/383196258.db2.gz KSWPOFQHXKPJKS-JKSUJKDBSA-N 2 0 276.424 2.877 20 0 CFADRP C[C@H](CCCC[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424179766 383199496 /nfs/dbraw/zinc/19/94/96/383199496.db2.gz UJNUNXWZVIANOU-GDBMZVCRSA-N 2 0 297.487 2.698 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000247929234 383200234 /nfs/dbraw/zinc/20/02/34/383200234.db2.gz BWVMOCCSGSHMGU-WMZOPIPTSA-N 2 0 290.451 2.883 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449288890 383200673 /nfs/dbraw/zinc/20/06/73/383200673.db2.gz PASPNGBDPCYLKW-CYBMUJFWSA-N 2 0 262.397 2.675 20 0 CFADRP Cc1cccc2nc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cn21 ZINC000247939773 383200860 /nfs/dbraw/zinc/20/08/60/383200860.db2.gz CWQHQPBUVCIUGL-RDJZCZTQSA-N 2 0 298.434 2.559 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000247966335 383203310 /nfs/dbraw/zinc/20/33/10/383203310.db2.gz GVUCJGKOJCIDKL-WMLDXEAASA-N 2 0 292.398 2.621 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000248030329 383207603 /nfs/dbraw/zinc/20/76/03/383207603.db2.gz QGMPBFXFTPHBCJ-WMZOPIPTSA-N 2 0 289.467 2.833 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247150660 383147421 /nfs/dbraw/zinc/14/74/21/383147421.db2.gz SXGMBUAYSZTANY-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OCC ZINC000623599793 383152276 /nfs/dbraw/zinc/15/22/76/383152276.db2.gz RCJCCGMHGOCLEA-ZIAGYGMSSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247219629 383153581 /nfs/dbraw/zinc/15/35/81/383153581.db2.gz XOJFXTBFMPHNJD-LBTNJELSSA-N 2 0 270.420 2.994 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)c1ccccc1 ZINC000247233666 383154777 /nfs/dbraw/zinc/15/47/77/383154777.db2.gz YKZIRCJKNAPMQB-OWCLPIDISA-N 2 0 275.440 2.584 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000449067993 383159656 /nfs/dbraw/zinc/15/96/56/383159656.db2.gz PTAHZTXRDDNDPI-AWEZNQCLSA-N 2 0 250.386 2.676 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449075660 383163030 /nfs/dbraw/zinc/16/30/30/383163030.db2.gz FTZLSOJRTFWIGN-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)[C@@H](C)C1 ZINC000247327075 383163561 /nfs/dbraw/zinc/16/35/61/383163561.db2.gz WPEJEWPOZBAOBI-JYJNAYRXSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCCC1 ZINC000449080994 383166372 /nfs/dbraw/zinc/16/63/72/383166372.db2.gz AWFPFJZIFUTXNF-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000567226877 383253335 /nfs/dbraw/zinc/25/33/35/383253335.db2.gz UUINXCDFLZZWIV-IDCNUPLLSA-N 2 0 289.467 2.656 20 0 CFADRP CO[C@H](C)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000567395912 383271036 /nfs/dbraw/zinc/27/10/36/383271036.db2.gz JUAMGNBOBMGUHE-CQSZACIVSA-N 2 0 276.424 2.578 20 0 CFADRP C[C@@H](CCCO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449407724 383272874 /nfs/dbraw/zinc/27/28/74/383272874.db2.gz IUBXGKDTDROLPS-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000520792886 383273852 /nfs/dbraw/zinc/27/38/52/383273852.db2.gz UGZUUWKFSYRZTL-ZDUSSCGKSA-N 2 0 266.454 2.929 20 0 CFADRP Cc1ncsc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339501144 383220060 /nfs/dbraw/zinc/22/00/60/383220060.db2.gz VQDYJRRUZRIXTI-UHFFFAOYSA-N 2 0 267.442 2.807 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566926534 383227104 /nfs/dbraw/zinc/22/71/04/383227104.db2.gz MZGGYFQLPFOUMG-OWCLPIDISA-N 3 0 267.461 2.501 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000449344231 383228851 /nfs/dbraw/zinc/22/88/51/383228851.db2.gz QBJDPVNTLOTODE-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000567109007 383242128 /nfs/dbraw/zinc/24/21/28/383242128.db2.gz MEOUEOYTSATDFW-SWLSCSKDSA-N 2 0 275.396 2.519 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000519865106 383242721 /nfs/dbraw/zinc/24/27/21/383242721.db2.gz CVDWXQGCYRHMGG-DOTOQJQBSA-N 2 0 275.440 2.724 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000567895699 383328606 /nfs/dbraw/zinc/32/86/06/383328606.db2.gz USSLCDFLSFPHCF-BBWFWOEESA-N 2 0 286.419 2.583 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000634732467 383333965 /nfs/dbraw/zinc/33/39/65/383333965.db2.gz HFPVMRQONVQNRF-MRXNPFEDSA-N 2 0 298.434 2.740 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000634732192 383334293 /nfs/dbraw/zinc/33/42/93/383334293.db2.gz AJSLZOSKIXRBEM-OAHLLOKOSA-N 2 0 273.424 2.522 20 0 CFADRP Cc1cccc2ncc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)n21 ZINC000634732172 383334369 /nfs/dbraw/zinc/33/43/69/383334369.db2.gz AAQHELMHJVDGFI-CQSZACIVSA-N 2 0 286.423 2.511 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000634733238 383335342 /nfs/dbraw/zinc/33/53/42/383335342.db2.gz ARBYNBGDQYHOPL-GOEBONIOSA-N 2 0 292.471 2.763 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733862 383336295 /nfs/dbraw/zinc/33/62/95/383336295.db2.gz PVZWCZZMXRVAOF-PMPSAXMXSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733904 383336326 /nfs/dbraw/zinc/33/63/26/383336326.db2.gz QUZMANCARAWDGP-ZFWWWQNUSA-N 2 0 268.445 2.559 20 0 CFADRP C(C[N@@H+]1CC[C@@H](CC2CC2)C1)C[NH+]1CCCCC1 ZINC000339685787 383287205 /nfs/dbraw/zinc/28/72/05/383287205.db2.gz HKSAKRPRZJQIHC-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000567627473 383295883 /nfs/dbraw/zinc/29/58/83/383295883.db2.gz SEWDBUBPGRRMBL-NWDGAFQWSA-N 2 0 281.469 2.843 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000567647002 383297772 /nfs/dbraw/zinc/29/77/72/383297772.db2.gz KRZAPICMIWQZJX-HOCLYGCPSA-N 2 0 289.423 2.620 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000521609701 383301984 /nfs/dbraw/zinc/30/19/84/383301984.db2.gz DVXXMZHHTGBPCH-SJPCQFCGSA-N 2 0 288.435 2.889 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCOC1CCCC1 ZINC000422831460 532977796 /nfs/dbraw/zinc/97/77/96/532977796.db2.gz TTYXJCNTPKMAHI-CRAIPNDOSA-N 2 0 290.451 2.884 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000464071314 383307827 /nfs/dbraw/zinc/30/78/27/383307827.db2.gz XEDBGNPNEDIWND-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000464071324 383307909 /nfs/dbraw/zinc/30/79/09/383307909.db2.gz XEDBGNPNEDIWND-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC1CCCCCC1 ZINC000567748221 383310548 /nfs/dbraw/zinc/31/05/48/383310548.db2.gz OGTLXPSBDCICOL-KBPBESRZSA-N 2 0 254.418 2.537 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC1CCCCCC1 ZINC000567748223 383310744 /nfs/dbraw/zinc/31/07/44/383310744.db2.gz OGTLXPSBDCICOL-UONOGXRCSA-N 2 0 254.418 2.537 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000634682839 383312146 /nfs/dbraw/zinc/31/21/46/383312146.db2.gz CAOJYEFASYRSOJ-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248997026 383314674 /nfs/dbraw/zinc/31/46/74/383314674.db2.gz PGEYVEAEIZUWFT-DUQJVZAFSA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684919 383315192 /nfs/dbraw/zinc/31/51/92/383315192.db2.gz BURUAXIVOIXKPN-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3ncccc23)C[C@@H]1C[NH3+] ZINC000634688065 383320396 /nfs/dbraw/zinc/32/03/96/383320396.db2.gz GYPVDKBFYCUWBD-ZFWWWQNUSA-N 2 0 269.392 2.652 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c(F)c1 ZINC000522003248 383320922 /nfs/dbraw/zinc/32/09/22/383320922.db2.gz DAVBHHVWHIHPJB-UHFFFAOYSA-N 2 0 280.387 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249086323 383325618 /nfs/dbraw/zinc/32/56/18/383325618.db2.gz NFRHYVZAFBLLRH-WBTNSWJXSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251589942 383391112 /nfs/dbraw/zinc/39/11/12/383391112.db2.gz XKTWNVHOSNOJTC-SCRDCRAPSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@]1(C)CCCO1 ZINC000340256914 383393778 /nfs/dbraw/zinc/39/37/78/383393778.db2.gz KGJINKODHOVREF-WMLDXEAASA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000479447998 383405619 /nfs/dbraw/zinc/40/56/19/383405619.db2.gz FVSAPACSNYOTTH-KBPBESRZSA-N 2 0 298.858 3.000 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCc2cscn2)CC1 ZINC000340292085 383408483 /nfs/dbraw/zinc/40/84/83/383408483.db2.gz NWQRGVWEBJFGKL-UHFFFAOYSA-N 2 0 281.469 2.739 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000568053524 383350130 /nfs/dbraw/zinc/35/01/30/383350130.db2.gz PBKIQTHXECXDRM-DLBZAZTESA-N 2 0 297.402 2.819 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000249733492 383358549 /nfs/dbraw/zinc/35/85/49/383358549.db2.gz CEQJLBICVIDXJM-HLLBOEOZSA-N 2 0 276.424 2.692 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250524488 383377095 /nfs/dbraw/zinc/37/70/95/383377095.db2.gz VTWUJMXFRMZLMR-KBPBESRZSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1ccc(C[NH2+]CCCN2CCC2)cc1Cl ZINC000568236128 383379557 /nfs/dbraw/zinc/37/95/57/383379557.db2.gz BDGCZHCOSVRPCC-UHFFFAOYSA-N 2 0 252.789 2.834 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCOc2ccc(F)cc2)C1 ZINC000568248601 383381481 /nfs/dbraw/zinc/38/14/81/383381481.db2.gz VNRGJWBJLPWSOZ-GJZGRUSLSA-N 2 0 280.387 2.844 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC12CCCC2)CN1CC[NH+](C)CC1 ZINC000340227743 383385383 /nfs/dbraw/zinc/38/53/83/383385383.db2.gz BRPWFRIWCBYWGM-SJORKVTESA-N 2 0 293.499 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CC(F)(F)C2)C[C@@H]1C ZINC000450471139 383425296 /nfs/dbraw/zinc/42/52/96/383425296.db2.gz VMMVQNUGOPCGKW-WCQYABFASA-N 2 0 260.372 2.836 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634958825 383425901 /nfs/dbraw/zinc/42/59/01/383425901.db2.gz AIHRGSRNRGVCMK-UHFFFAOYSA-N 2 0 291.370 2.788 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNCc2ccon2)[C@H]1c1cccs1 ZINC000634963753 383428151 /nfs/dbraw/zinc/42/81/51/383428151.db2.gz CLYPCTCIYWDVHS-WFASDCNBSA-N 2 0 291.420 2.909 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cn[nH]c1 ZINC000340473638 383433330 /nfs/dbraw/zinc/43/33/30/383433330.db2.gz JJVVVKAJTBMKOS-CQSZACIVSA-N 2 0 284.407 2.856 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OC2CCC2)C1 ZINC000568768436 383436031 /nfs/dbraw/zinc/43/60/31/383436031.db2.gz SLKUXRQRVURVRE-GJZGRUSLSA-N 2 0 274.408 2.977 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC2CCC2)C1 ZINC000568768435 383436129 /nfs/dbraw/zinc/43/61/29/383436129.db2.gz SLKUXRQRVURVRE-CABCVRRESA-N 2 0 274.408 2.977 20 0 CFADRP C[C@H](O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494800 383436954 /nfs/dbraw/zinc/43/69/54/383436954.db2.gz OXLDCOYIFKVEMP-HOTGVXAUSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H](CC[NH2+]Cc1ccc2nccnc2c1)[NH+]1CCCCC1 ZINC000634976431 383436972 /nfs/dbraw/zinc/43/69/72/383436972.db2.gz WPHTVFWMAMCQKO-HNNXBMFYSA-N 2 0 298.434 2.984 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252853928 383437357 /nfs/dbraw/zinc/43/73/57/383437357.db2.gz JLLMPROUOXVXIO-RWMBFGLXSA-N 2 0 250.411 2.616 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000252893387 383438799 /nfs/dbraw/zinc/43/87/99/383438799.db2.gz QIAFVQDXWBZMDB-SMDDNHRTSA-N 2 0 297.240 2.879 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000253176958 383446712 /nfs/dbraw/zinc/44/67/12/383446712.db2.gz APFFWDBXTLVGAJ-GVDBMIGSSA-N 2 0 273.424 2.790 20 0 CFADRP c1ccc([C@@H]2CSCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991457 383447317 /nfs/dbraw/zinc/44/73/17/383447317.db2.gz FLQCTDHBEIDCNE-SIWZUTFBSA-N 2 0 274.433 2.529 20 0 CFADRP CCc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc[nH+]1 ZINC000450527564 383447447 /nfs/dbraw/zinc/44/74/47/383447447.db2.gz ZQKKQIWNQXQRTP-CJNGLKHVSA-N 2 0 259.397 2.707 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H]1C[NH3+] ZINC000253196437 383448578 /nfs/dbraw/zinc/44/85/78/383448578.db2.gz SVHAGQIRNIJTIY-XJKSGUPXSA-N 2 0 269.392 2.652 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)n2)cc1 ZINC000634995539 383451068 /nfs/dbraw/zinc/45/10/68/383451068.db2.gz HWBHJAVVOFDCNE-CZUORRHYSA-N 2 0 296.418 2.548 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634998636 383453363 /nfs/dbraw/zinc/45/33/63/383453363.db2.gz IVGCCBCJLAZQTD-GOEBONIOSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998712 383453965 /nfs/dbraw/zinc/45/39/65/383453965.db2.gz JSGQSFVRHNRXHE-BFYDXBDKSA-N 2 0 260.425 2.782 20 0 CFADRP C[C@@]1(C[NH+]2CCC3(CCSCC3)CC2)CC[NH2+]C1 ZINC000634999593 383457119 /nfs/dbraw/zinc/45/71/19/383457119.db2.gz WSJCLGZYVILNFF-CQSZACIVSA-N 2 0 268.470 2.595 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C1 ZINC000569000536 383459155 /nfs/dbraw/zinc/45/91/55/383459155.db2.gz LFZHBLTTYBEVCV-BRWVUGGUSA-N 2 0 287.451 2.763 20 0 CFADRP COC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000635003748 383459571 /nfs/dbraw/zinc/45/95/71/383459571.db2.gz FICNSDARVLOCEE-AXAPSJFSSA-N 2 0 298.377 2.759 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(C)n1 ZINC000635003743 383460047 /nfs/dbraw/zinc/46/00/47/383460047.db2.gz FGINROGXHLWATF-RBSFLKMASA-N 2 0 261.413 2.867 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@@H]1C ZINC000635004457 383460823 /nfs/dbraw/zinc/46/08/23/383460823.db2.gz OSWDCLOFLHZZED-VUCTXSBTSA-N 2 0 258.409 2.857 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000635005024 383460958 /nfs/dbraw/zinc/46/09/58/383460958.db2.gz GVKAMLPXAAOHFL-OFQRWUPVSA-N 2 0 273.424 2.706 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000635004771 383461152 /nfs/dbraw/zinc/46/11/52/383461152.db2.gz FGUJXZFRGHCMTB-DJSGYFEHSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000635005598 383462342 /nfs/dbraw/zinc/46/23/42/383462342.db2.gz JNOLXRCODKNIPC-PJODQICGSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000635006835 383463162 /nfs/dbraw/zinc/46/31/62/383463162.db2.gz TXAUIJMOGXXSIU-QUSNUVHPSA-N 2 0 280.456 2.689 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635006417 383463232 /nfs/dbraw/zinc/46/32/32/383463232.db2.gz MMUAZDWHTRBVPN-IHRRRGAJSA-N 2 0 292.423 2.872 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000635008779 383464041 /nfs/dbraw/zinc/46/40/41/383464041.db2.gz VJTOLTLPKSZICW-SUYBPPKGSA-N 2 0 274.408 2.790 20 0 CFADRP FC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000527227760 383464605 /nfs/dbraw/zinc/46/46/05/383464605.db2.gz YTBOXVGCYXJRET-UHFFFAOYSA-N 2 0 292.398 2.753 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1F ZINC000635008415 383464585 /nfs/dbraw/zinc/46/45/85/383464585.db2.gz UFFFXPXAHUDGFK-AVGNSLFASA-N 2 0 250.361 2.994 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000635007745 383464589 /nfs/dbraw/zinc/46/45/89/383464589.db2.gz XTZKDTHKHDCVOP-BPLDGKMQSA-N 2 0 259.397 2.566 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007827 383464679 /nfs/dbraw/zinc/46/46/79/383464679.db2.gz BMTHMEIXKPJEIH-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000635008167 383464788 /nfs/dbraw/zinc/46/47/88/383464788.db2.gz QWLIWPMKVDFGAE-KSZLIROESA-N 2 0 290.451 2.740 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)on1 ZINC000450569611 383464919 /nfs/dbraw/zinc/46/49/19/383464919.db2.gz PLQVYUMBSAOKFB-WMLDXEAASA-N 2 0 293.455 2.832 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340541867 383465472 /nfs/dbraw/zinc/46/54/72/383465472.db2.gz LDGFNEWCMVERDY-BBWFWOEESA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000635009630 383465567 /nfs/dbraw/zinc/46/55/67/383465567.db2.gz JIVXVFZPEVXVDS-FUHWJXTLSA-N 2 0 288.435 2.626 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000635009748 383466216 /nfs/dbraw/zinc/46/62/16/383466216.db2.gz ZGLRAKVCCFYUQS-YDHLFZDLSA-N 2 0 292.423 2.872 20 0 CFADRP Cc1ccccc1[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010841 383466556 /nfs/dbraw/zinc/46/65/56/383466556.db2.gz WBDQCZDIAHBZII-OAHLLOKOSA-N 2 0 296.418 2.973 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(O)c1 ZINC000635011113 383466863 /nfs/dbraw/zinc/46/68/63/383466863.db2.gz MGXJGHMSNYERBL-JSGCOSHPSA-N 2 0 262.397 2.821 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000635012169 383468484 /nfs/dbraw/zinc/46/84/84/383468484.db2.gz RMRYJDGEOJHUSH-VQHPVUNQSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)C1 ZINC000635013111 383469063 /nfs/dbraw/zinc/46/90/63/383469063.db2.gz QOZRIMPOUZAJTI-QLFBSQMISA-N 2 0 266.429 2.585 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cncc(F)c1 ZINC000635013600 383469226 /nfs/dbraw/zinc/46/92/26/383469226.db2.gz ZMZBBDROXAGAPA-SMDDNHRTSA-N 2 0 265.376 2.650 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635012857 383469517 /nfs/dbraw/zinc/46/95/17/383469517.db2.gz AGTPDBUASVUXGT-LZWOXQAQSA-N 2 0 296.842 2.523 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635012859 383469760 /nfs/dbraw/zinc/46/97/60/383469760.db2.gz AGTPDBUASVUXGT-SQWLQELKSA-N 2 0 296.842 2.523 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)CC[N@@H+]1C ZINC000635021382 383473525 /nfs/dbraw/zinc/47/35/25/383473525.db2.gz OGHDNTKYEADDFC-RBSFLKMASA-N 2 0 273.424 2.658 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@H]2CNc3ccccc32)CC1 ZINC000635020882 383474169 /nfs/dbraw/zinc/47/41/69/383474169.db2.gz NFIDGIRXJKZIQV-AWEZNQCLSA-N 2 0 273.424 2.660 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486934988 383475762 /nfs/dbraw/zinc/47/57/62/383475762.db2.gz HUFOMZHMVQHBHM-QXSJWSMHSA-N 2 0 282.472 2.900 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000480550804 383417957 /nfs/dbraw/zinc/41/79/57/383417957.db2.gz HKEMWLCAUOGILX-NJAFHUGGSA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568604673 383418244 /nfs/dbraw/zinc/41/82/44/383418244.db2.gz UELQZFSHMCYDKD-GUYCJALGSA-N 2 0 280.456 2.654 20 0 CFADRP CC1CC[NH+](CCC[NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634950576 383419675 /nfs/dbraw/zinc/41/96/75/383419675.db2.gz WZUKQJPPCKEJQN-UHFFFAOYSA-N 2 0 298.434 2.841 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488454815 383545458 /nfs/dbraw/zinc/54/54/58/383545458.db2.gz JKAWZHKZSALHHA-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N(C)C2CC2)CS1 ZINC000488462954 383546607 /nfs/dbraw/zinc/54/66/07/383546607.db2.gz MDWZGAZGGHUXJJ-BZPMIXESSA-N 2 0 256.459 2.589 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488467646 383548199 /nfs/dbraw/zinc/54/81/99/383548199.db2.gz WQUMYLRHFBYQCN-DZGCQCFKSA-N 2 0 259.397 2.544 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340711057 383492522 /nfs/dbraw/zinc/49/25/22/383492522.db2.gz LUVFUWYGVBFQGA-KRWDZBQOSA-N 2 0 276.424 2.695 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1C ZINC000488073104 383492832 /nfs/dbraw/zinc/49/28/32/383492832.db2.gz LJDZZAQIMSFIHZ-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP Clc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257666332 383496775 /nfs/dbraw/zinc/49/67/75/383496775.db2.gz HKIDXOIFCNZCDI-UHFFFAOYSA-N 2 0 264.800 2.916 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257642719 383497058 /nfs/dbraw/zinc/49/70/58/383497058.db2.gz BGTWIZPFTXDNJC-AWEZNQCLSA-N 2 0 250.411 2.632 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000257723763 383497980 /nfs/dbraw/zinc/49/79/80/383497980.db2.gz WBTLPFFUFXQEOB-AWEZNQCLSA-N 2 0 250.411 2.632 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000259014457 383501487 /nfs/dbraw/zinc/50/14/87/383501487.db2.gz NIWUUZFSBIFVLS-AWEZNQCLSA-N 2 0 266.816 2.814 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000261542191 383508837 /nfs/dbraw/zinc/50/88/37/383508837.db2.gz NNYVELKBQGWTLG-YPMHNXCESA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000261558016 383511953 /nfs/dbraw/zinc/51/19/53/383511953.db2.gz SCXIWEUXQQXGJN-NOZJJQNGSA-N 2 0 256.752 2.567 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000261564097 383513724 /nfs/dbraw/zinc/51/37/24/383513724.db2.gz CQHJGOHFAMOTRE-UKRRQHHQSA-N 2 0 262.397 2.515 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000569568154 383513706 /nfs/dbraw/zinc/51/37/06/383513706.db2.gz FZSAGEGBTYFPCI-SJORKVTESA-N 2 0 284.488 2.885 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261744267 383551034 /nfs/dbraw/zinc/55/10/34/383551034.db2.gz IZIXRMVCSQBLIV-NVXWUHKLSA-N 2 0 274.408 2.832 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000261585408 383520570 /nfs/dbraw/zinc/52/05/70/383520570.db2.gz IKMJEXCQKOABKT-NVXWUHKLSA-N 2 0 258.409 2.796 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000261590062 383522077 /nfs/dbraw/zinc/52/20/77/383522077.db2.gz WRYZCQFUIDFPLP-XQLPTFJDSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000261596729 383525069 /nfs/dbraw/zinc/52/50/69/383525069.db2.gz PGVMSGJLSZNCTB-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1ccc2nc(CN[C@H]3CC[N@@H+](C4CCCC4)C3)cn2c1 ZINC000341018178 383531945 /nfs/dbraw/zinc/53/19/45/383531945.db2.gz TVVJCHIHWRKEAT-HNNXBMFYSA-N 2 0 298.434 2.749 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488418035 383533531 /nfs/dbraw/zinc/53/35/31/383533531.db2.gz XHFVNRKYMYEFIQ-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP Cc1nc2ccc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc2s1 ZINC000261745742 383552109 /nfs/dbraw/zinc/55/21/09/383552109.db2.gz BTCQTBUDSMTRFX-MFKMUULPSA-N 2 0 275.421 2.774 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569810144 383539783 /nfs/dbraw/zinc/53/97/83/383539783.db2.gz GNNIOBRCYHMXJV-LBPRGKRZSA-N 2 0 260.406 2.928 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000261669520 383540503 /nfs/dbraw/zinc/54/05/03/383540503.db2.gz GGFFJNLQRMRUIW-QGZVFWFLSA-N 2 0 274.408 2.646 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000569833980 383542393 /nfs/dbraw/zinc/54/23/93/383542393.db2.gz QEEVNEMIFZVFFZ-HNNXBMFYSA-N 2 0 250.361 2.792 20 0 CFADRP Cc1cc2cc(CN3C[C@@H](C)[C@H]([NH3+])C3)oc2cc1C ZINC000261924619 383580457 /nfs/dbraw/zinc/58/04/57/383580457.db2.gz BZVROFXKGKEXGA-IUODEOHRSA-N 2 0 258.365 2.829 20 0 CFADRP COCCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000528574220 383580869 /nfs/dbraw/zinc/58/08/69/383580869.db2.gz PLLWFDCRKMRDKU-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP COc1cc(C)ccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000429999064 383581721 /nfs/dbraw/zinc/58/17/21/383581721.db2.gz AHAZYCJVABFTDO-UHFFFAOYSA-N 2 0 276.424 2.966 20 0 CFADRP COCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000528577163 383583075 /nfs/dbraw/zinc/58/30/75/383583075.db2.gz IVOPOHXTBMWVSP-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261947644 383584459 /nfs/dbraw/zinc/58/44/59/383584459.db2.gz NLLLEMGQCANVSH-GOSISDBHSA-N 2 0 298.434 2.566 20 0 CFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000451237857 383585402 /nfs/dbraw/zinc/58/54/02/383585402.db2.gz WZTHCSHPDUHFIS-XHSDSOJGSA-N 2 0 296.455 2.572 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261954131 383585905 /nfs/dbraw/zinc/58/59/05/383585905.db2.gz OKZLPDBLWKPFTP-NEPJUHHUSA-N 2 0 250.361 2.557 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000262009285 383593593 /nfs/dbraw/zinc/59/35/93/383593593.db2.gz UVSMNVZQIUNUNN-HOCLYGCPSA-N 2 0 278.465 2.979 20 0 CFADRP Cc1ccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cn2c1 ZINC000262007101 383593818 /nfs/dbraw/zinc/59/38/18/383593818.db2.gz VYFUKCSRLPQHGS-QGZVFWFLSA-N 2 0 298.434 2.607 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000430929551 383612962 /nfs/dbraw/zinc/61/29/62/383612962.db2.gz PCFFEPXVVUQHTB-NSHDSACASA-N 2 0 291.420 2.962 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430921053 383612101 /nfs/dbraw/zinc/61/21/01/383612101.db2.gz RIBSFEJTPKBTCG-LBPRGKRZSA-N 2 0 284.856 2.973 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000262013850 383595005 /nfs/dbraw/zinc/59/50/05/383595005.db2.gz VJYWOIJVPZGVOL-FRRDWIJNSA-N 2 0 250.361 2.598 20 0 CFADRP Cc1nc2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc2s1 ZINC000262013874 383595288 /nfs/dbraw/zinc/59/52/88/383595288.db2.gz VKGDXPAGFOQDGY-GWCFXTLKSA-N 2 0 275.421 2.774 20 0 CFADRP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451355735 383596260 /nfs/dbraw/zinc/59/62/60/383596260.db2.gz WCTFZXKYVXHBNY-OKZBNKHCSA-N 2 0 294.483 2.878 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262079700 383602725 /nfs/dbraw/zinc/60/27/25/383602725.db2.gz SZCIUWOJBQTUKP-HNNXBMFYSA-N 2 0 266.816 2.814 20 0 CFADRP Cc1ccccc1CCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430925319 383612589 /nfs/dbraw/zinc/61/25/89/383612589.db2.gz KKFTYVNZJZRLMU-OAHLLOKOSA-N 2 0 260.425 2.987 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000262097006 383604712 /nfs/dbraw/zinc/60/47/12/383604712.db2.gz VFFDRMMHBMWRLJ-ZWKOTPCHSA-N 2 0 287.451 2.889 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262150139 383609779 /nfs/dbraw/zinc/60/97/79/383609779.db2.gz RCPMCJMGMCPCJP-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000569942077 383553706 /nfs/dbraw/zinc/55/37/06/383553706.db2.gz WFVMRIZOOYXBLC-LLLHUVSDSA-N 2 0 275.440 2.537 20 0 CFADRP Cc1cnc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000341077472 383556093 /nfs/dbraw/zinc/55/60/93/383556093.db2.gz LLPZAHJXVQKTEH-GASCZTMLSA-N 2 0 292.471 2.576 20 0 CFADRP Fc1ccc(CC[N@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000261768703 383556974 /nfs/dbraw/zinc/55/69/74/383556974.db2.gz ORGPKOPZWHAVAS-UHFFFAOYSA-N 2 0 276.399 2.832 20 0 CFADRP CC1(C)Cc2cccc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)c2O1 ZINC000261787326 383559464 /nfs/dbraw/zinc/55/94/64/383559464.db2.gz XNMKZDGYRJKHKH-GOEBONIOSA-N 2 0 286.419 2.584 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000261785778 383560194 /nfs/dbraw/zinc/56/01/94/383560194.db2.gz UMBUMNPXWVMYKT-AWEZNQCLSA-N 2 0 277.393 2.574 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)CC2CCCC2)CCCC1 ZINC000570038920 383565219 /nfs/dbraw/zinc/56/52/19/383565219.db2.gz IUSGIXWXDCUOGU-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CC(C)(C)C1)C2 ZINC000528517152 383566031 /nfs/dbraw/zinc/56/60/31/383566031.db2.gz MYCLRAHAKSFRHG-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261835917 383569220 /nfs/dbraw/zinc/56/92/20/383569220.db2.gz JLLJELRNDKQKOG-QGZVFWFLSA-N 2 0 287.451 2.587 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000070346904 412970392 /nfs/dbraw/zinc/97/03/92/412970392.db2.gz ZEBWFGXIUHEGIY-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])ccc2[nH]1 ZINC000263167217 383655833 /nfs/dbraw/zinc/65/58/33/383655833.db2.gz FIFOHIYAWXUCSQ-LRDDRELGSA-N 2 0 286.379 2.717 20 0 CFADRP C[NH2+]CC1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000430947980 383614943 /nfs/dbraw/zinc/61/49/43/383614943.db2.gz GPXFKDYUAZOTKZ-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC1CCC([N@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CC2)CC1 ZINC000431069078 383627109 /nfs/dbraw/zinc/62/71/09/383627109.db2.gz JYOFBUMFKGEASI-UHFFFAOYSA-N 2 0 292.427 2.807 20 0 CFADRP CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431100459 383630162 /nfs/dbraw/zinc/63/01/62/383630162.db2.gz MLBFDWHYQNZLJV-NSHDSACASA-N 2 0 280.416 2.664 20 0 CFADRP CSc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423144206 533006965 /nfs/dbraw/zinc/00/69/65/533006965.db2.gz GHVARABFTPZILU-WWGRRREGSA-N 2 0 295.496 2.727 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000645808530 383755856 /nfs/dbraw/zinc/75/58/56/383755856.db2.gz VCBQXQCAIHNMQB-SJORKVTESA-N 2 0 280.456 2.611 20 0 CFADRP CC[C@H](C[NH2+][C@@H](CC)c1ccncc1)N1CCCC1 ZINC000453100253 383766045 /nfs/dbraw/zinc/76/60/45/383766045.db2.gz YJVCDGPIUXVNCH-CVEARBPZSA-N 2 0 261.413 2.997 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)C ZINC000453102614 383767168 /nfs/dbraw/zinc/76/71/68/383767168.db2.gz QDTVOSUXCCKYSG-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](Cn2cccn2)C(C)C)CC1 ZINC000453106354 383768086 /nfs/dbraw/zinc/76/80/86/383768086.db2.gz IVSROMPQZVPCGN-QGZVFWFLSA-N 2 0 292.471 2.619 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423093733 533002224 /nfs/dbraw/zinc/00/22/24/533002224.db2.gz AFWKKEOBQGFJBI-MNOVXSKESA-N 2 0 250.411 2.667 20 0 CFADRP C[C@H](Nc1cc[nH+]c2ccccc12)[C@H](C)[NH+]1CCOCC1 ZINC000264709009 383774779 /nfs/dbraw/zinc/77/47/79/383774779.db2.gz FZLLFGAEFPDTDE-KBPBESRZSA-N 2 0 285.391 2.756 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000640015697 383672242 /nfs/dbraw/zinc/67/22/42/383672242.db2.gz LMANYRZCOOJDJN-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP CCO[C@@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)C1CC1 ZINC000640016084 383672591 /nfs/dbraw/zinc/67/25/91/383672591.db2.gz SMHFQAGUPZMWLF-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP CCC1([NH+](C)C)CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000640017034 383672949 /nfs/dbraw/zinc/67/29/49/383672949.db2.gz AACHTHBUCDVBJU-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000645336529 383674576 /nfs/dbraw/zinc/67/45/76/383674576.db2.gz FCGNEQDVHPNQIS-WBVHZDCISA-N 2 0 289.423 2.594 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000436306599 383803640 /nfs/dbraw/zinc/80/36/40/383803640.db2.gz KWGQUTZFQSPIID-BBRMVZONSA-N 2 0 278.465 2.881 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000436306600 383803667 /nfs/dbraw/zinc/80/36/67/383803667.db2.gz KWGQUTZFQSPIID-CJNGLKHVSA-N 2 0 278.465 2.881 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000436306601 383803932 /nfs/dbraw/zinc/80/39/32/383803932.db2.gz KWGQUTZFQSPIID-CZUORRHYSA-N 2 0 278.465 2.881 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000422881879 533009668 /nfs/dbraw/zinc/00/96/68/533009668.db2.gz ZKVLYOSDLSBJMI-MLGOLLRUSA-N 2 0 289.423 2.943 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2nccn21 ZINC000453229541 383809292 /nfs/dbraw/zinc/80/92/92/383809292.db2.gz REHMIMQRSODDDF-GJZGRUSLSA-N 2 0 276.428 2.745 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CCOCC[NH+](C)C ZINC000453230254 383809393 /nfs/dbraw/zinc/80/93/93/383809393.db2.gz UWZALJIJSCQJMS-AWEZNQCLSA-N 2 0 290.407 2.532 20 0 CFADRP CC(C)(C)C1CC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000436468738 383819838 /nfs/dbraw/zinc/81/98/38/383819838.db2.gz GCGRMKXZXZQWGV-IYXRBSQSSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1nocc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534558 383820173 /nfs/dbraw/zinc/82/01/73/383820173.db2.gz PTZDTWRPWGYPNO-UHFFFAOYSA-N 2 0 265.401 2.681 20 0 CFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCC1 ZINC000453156555 383787329 /nfs/dbraw/zinc/78/73/29/383787329.db2.gz DTWULDDZEHXPHA-KSZLIROESA-N 2 0 294.483 2.923 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000436267934 383795483 /nfs/dbraw/zinc/79/54/83/383795483.db2.gz FKMGKSBENQMFGO-HNNXBMFYSA-N 2 0 291.439 2.692 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453196913 383797998 /nfs/dbraw/zinc/79/79/98/383797998.db2.gz MBMOUJZEOMLSIW-OAHLLOKOSA-N 2 0 250.430 2.887 20 0 CFADRP Fc1cccc2[nH]c(C[NH2+]CCC[NH+]3CCCC3)cc21 ZINC000436278102 383798200 /nfs/dbraw/zinc/79/82/00/383798200.db2.gz BMAWRYGGDXDMRN-UHFFFAOYSA-N 2 0 275.371 2.883 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453431967 383852697 /nfs/dbraw/zinc/85/26/97/383852697.db2.gz RYKOIVNBCJXJJA-KBXIAJHMSA-N 2 0 268.445 2.510 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)CCC1 ZINC000453419335 383852781 /nfs/dbraw/zinc/85/27/81/383852781.db2.gz YUNUDXMRNQUKDK-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000453591543 383862851 /nfs/dbraw/zinc/86/28/51/383862851.db2.gz CNGOHGUMUKOGSR-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc(F)c1)C1CC1 ZINC000453593713 383864837 /nfs/dbraw/zinc/86/48/37/383864837.db2.gz HIISEMCEFMMQPO-UHFFFAOYSA-N 2 0 250.361 2.790 20 0 CFADRP CCc1ncc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453597370 383867076 /nfs/dbraw/zinc/86/70/76/383867076.db2.gz NGDLIOZZQPFPQJ-UHFFFAOYSA-N 2 0 267.442 2.670 20 0 CFADRP CSCc1cnc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453597970 383867514 /nfs/dbraw/zinc/86/75/14/383867514.db2.gz OVECAFREPHSHQO-UHFFFAOYSA-N 2 0 299.509 2.970 20 0 CFADRP Cc1cccn2c(C[NH2+]CCCC[N@@H+](C)C3CC3)cnc12 ZINC000453600276 383869016 /nfs/dbraw/zinc/86/90/16/383869016.db2.gz SIXSOIFXALVJAD-UHFFFAOYSA-N 2 0 286.423 2.607 20 0 CFADRP COCc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453602559 383869437 /nfs/dbraw/zinc/86/94/37/383869437.db2.gz WVBPUEQNLJXOKA-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CC1CCCCCC1)CCO2 ZINC000646105711 383875011 /nfs/dbraw/zinc/87/50/11/383875011.db2.gz DJHIQCXTLOMSAF-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCc1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105749 383875271 /nfs/dbraw/zinc/87/52/71/383875271.db2.gz GKHDEXANPMMQOE-UHFFFAOYSA-N 2 0 288.435 2.546 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000453284642 383834664 /nfs/dbraw/zinc/83/46/64/383834664.db2.gz AYFLGXMZVOVTRO-JJRVBVJISA-N 2 0 273.424 2.680 20 0 CFADRP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531725339 383911245 /nfs/dbraw/zinc/91/12/45/383911245.db2.gz JCOKJJQEYOFBRB-CYBMUJFWSA-N 2 0 268.445 2.654 20 0 CFADRP OCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000573368788 383917548 /nfs/dbraw/zinc/91/75/48/383917548.db2.gz VGXNQSFFRRNUFW-KRWDZBQOSA-N 2 0 288.435 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)cc1Cl ZINC000422735296 533018799 /nfs/dbraw/zinc/01/87/99/533018799.db2.gz VVSDDPNIRFAKFT-LBPRGKRZSA-N 2 0 291.222 2.837 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000422816802 533018848 /nfs/dbraw/zinc/01/88/48/533018848.db2.gz BMMCRZTYUJRPCD-DZKIICNBSA-N 2 0 270.461 2.935 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000422712051 533020387 /nfs/dbraw/zinc/02/03/87/533020387.db2.gz NTPHLQWTFDMRQW-ULQDDVLXSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000573197907 383888070 /nfs/dbraw/zinc/88/80/70/383888070.db2.gz LJWURVZFJZKVRL-RDBSUJKOSA-N 2 0 250.386 2.708 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000422806437 533021121 /nfs/dbraw/zinc/02/11/21/533021121.db2.gz KRENWEHXKDWCLU-DLBZAZTESA-N 2 0 296.430 2.736 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000532199243 383989560 /nfs/dbraw/zinc/98/95/60/383989560.db2.gz WIVFYKYXFLUFEE-WMLDXEAASA-N 2 0 276.424 2.556 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CCC[C@H](C)C1)C1CCOCC1 ZINC000531937494 383943350 /nfs/dbraw/zinc/94/33/50/383943350.db2.gz FUHUKCDULPFZPI-UXLLHSPISA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000423023677 533022087 /nfs/dbraw/zinc/02/20/87/533022087.db2.gz KBJUSUGAZMJPGU-UKPHBRMFSA-N 2 0 276.424 2.654 20 0 CFADRP CC1(C)CC([NH2+][C@H]2CCOC(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000070346721 412972256 /nfs/dbraw/zinc/97/22/56/412972256.db2.gz CRUDZZFVJPKMLD-LBPRGKRZSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC000070359130 412974218 /nfs/dbraw/zinc/97/42/18/412974218.db2.gz XUTJWWSIFKKBDA-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000532506115 384038836 /nfs/dbraw/zinc/03/88/36/384038836.db2.gz WYGSBDZANZBQBA-CVEARBPZSA-N 2 0 298.434 2.865 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000574266675 384069471 /nfs/dbraw/zinc/06/94/71/384069471.db2.gz AHGWYWCECWVQSP-YOEHRIQHSA-N 2 0 275.440 2.938 20 0 CFADRP COCC[NH2+]C1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000574329295 384079014 /nfs/dbraw/zinc/07/90/14/384079014.db2.gz ABPGREXBBQUQCQ-UHFFFAOYSA-N 2 0 298.377 2.825 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1(C)C ZINC000574452747 384097996 /nfs/dbraw/zinc/09/79/96/384097996.db2.gz ONMZIPSJWBNSIB-HOTGVXAUSA-N 2 0 276.424 2.827 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000574510686 384108214 /nfs/dbraw/zinc/10/82/14/384108214.db2.gz QPWOERSUVORESO-COXVUDFISA-N 2 0 258.409 2.768 20 0 CFADRP CN(CC[NH2+][C@@H](CO)C1CCCCC1)Cc1ccccc1 ZINC000574519862 384109556 /nfs/dbraw/zinc/10/95/56/384109556.db2.gz SXSDWUVAANBIIE-SFHVURJKSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000574629740 384123332 /nfs/dbraw/zinc/12/33/32/384123332.db2.gz OIJRVNDIMWJSPA-LBPRGKRZSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000574683480 384132880 /nfs/dbraw/zinc/13/28/80/384132880.db2.gz MIDQLJFZWJCHQO-DZJNRPSUSA-N 2 0 288.435 2.742 20 0 CFADRP COC1CCC(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422840662 533041540 /nfs/dbraw/zinc/04/15/40/533041540.db2.gz UIHXCOQBMUETHF-YGONEPDPSA-N 2 0 291.439 2.705 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422819415 533044189 /nfs/dbraw/zinc/04/41/89/533044189.db2.gz IAZFCVUJYXLBRR-IPELMVKDSA-N 2 0 296.414 2.979 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccccc1 ZINC000266580113 384202335 /nfs/dbraw/zinc/20/23/35/384202335.db2.gz HQDBSNWHZXGWBZ-IAGOWNOFSA-N 2 0 276.424 2.526 20 0 CFADRP CC[N@H+](Cc1ccc(C)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000420302277 285099048 /nfs/dbraw/zinc/09/90/48/285099048.db2.gz BQTFPJYURVTPNY-INIZCTEOSA-N 2 0 261.413 2.662 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000637890055 384254241 /nfs/dbraw/zinc/25/42/41/384254241.db2.gz QWPJHXBJLWMRQR-DOTOQJQBSA-N 2 0 282.472 2.998 20 0 CFADRP CCC[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637906756 384266993 /nfs/dbraw/zinc/26/69/93/384266993.db2.gz XXQCTKFRZPHZRS-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000641707427 384278124 /nfs/dbraw/zinc/27/81/24/384278124.db2.gz LPIDMJLPRDGECR-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CCn1cc(C[NH2+]CCN2CCCC2)c(-c2ccccc2)n1 ZINC000641703648 384275894 /nfs/dbraw/zinc/27/58/94/384275894.db2.gz ZQNJTYUTOYMXDH-UHFFFAOYSA-N 2 0 298.434 2.755 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000277463394 384309943 /nfs/dbraw/zinc/30/99/43/384309943.db2.gz LNOPOKHQFCGPIQ-INIZCTEOSA-N 2 0 299.418 2.857 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000637965464 384312532 /nfs/dbraw/zinc/31/25/32/384312532.db2.gz RYBQDEKHFBCCII-ZBFHGGJFSA-N 2 0 270.461 2.711 20 0 CFADRP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000637963716 384313047 /nfs/dbraw/zinc/31/30/47/384313047.db2.gz BAIRLKIZYOFUDJ-INIZCTEOSA-N 2 0 290.455 2.535 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000641719808 384291336 /nfs/dbraw/zinc/29/13/36/384291336.db2.gz GOXAMMBTJIPHQB-IXDOHACOSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+]CC[C@H]1CCCCN1Cc1nsc2ccccc21 ZINC000641798765 384364952 /nfs/dbraw/zinc/36/49/52/384364952.db2.gz MJVNIBLJUICKMQ-GFCCVEGCSA-N 2 0 275.421 3.000 20 0 CFADRP CCCN(Cc1oc(CC)nc1C)C1CC[NH2+]CC1 ZINC000641798652 384365021 /nfs/dbraw/zinc/36/50/21/384365021.db2.gz PFQVPUPXSOGZRH-UHFFFAOYSA-N 2 0 265.401 2.509 20 0 CFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1F ZINC000277648295 384365145 /nfs/dbraw/zinc/36/51/45/384365145.db2.gz DLSJHVCIQSWLAK-HNNXBMFYSA-N 2 0 294.414 2.725 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)o1 ZINC000641799924 384366711 /nfs/dbraw/zinc/36/67/11/384366711.db2.gz SVTUXXINCLMUEF-OBJOEFQTSA-N 2 0 279.428 2.741 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641806932 384374801 /nfs/dbraw/zinc/37/48/01/384374801.db2.gz SKYFDAGBTQVEMI-JKSUJKDBSA-N 2 0 292.423 2.570 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000641802407 384370718 /nfs/dbraw/zinc/37/07/18/384370718.db2.gz KLKXOXXJWFABRW-VXGBXAGGSA-N 2 0 254.324 2.840 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCc1c(F)cccc1F ZINC000641802158 384371194 /nfs/dbraw/zinc/37/11/94/384371194.db2.gz YJOZOVDNIASIGI-KBPBESRZSA-N 2 0 268.351 2.613 20 0 CFADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1Cl ZINC000423297430 533059350 /nfs/dbraw/zinc/05/93/50/533059350.db2.gz KGCLWUIZFIBEDT-VHSXEESVSA-N 2 0 286.803 2.603 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nccnc3c2)[C@@H](C)C1 ZINC000638113805 384426265 /nfs/dbraw/zinc/42/62/65/384426265.db2.gz DSYHBWJPNQXIAG-KBXCAEBGSA-N 2 0 298.434 2.792 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641807963 384375097 /nfs/dbraw/zinc/37/50/97/384375097.db2.gz WEFUOLGFIYDEFR-STQMWFEESA-N 2 0 250.411 2.624 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nsc3ccccc31)C2 ZINC000641824620 384379951 /nfs/dbraw/zinc/37/99/51/384379951.db2.gz VKHCZEFALGRYBC-IYBDPMFKSA-N 2 0 287.432 2.728 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])o1 ZINC000641819987 384380449 /nfs/dbraw/zinc/38/04/49/384380449.db2.gz KNNDFCZOOVKQHK-JSGCOSHPSA-N 2 0 279.428 2.885 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccnc1 ZINC000277968662 384451476 /nfs/dbraw/zinc/45/14/76/384451476.db2.gz AIEAYFVRMDMXSA-CYBMUJFWSA-N 2 0 259.397 2.607 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H](c1nccn1C)C1CC1 ZINC000638117968 384431899 /nfs/dbraw/zinc/43/18/99/384431899.db2.gz PXFXGZWBCZFHIW-JKSUJKDBSA-N 2 0 290.455 2.677 20 0 CFADRP CCN1C[C@H]([NH2+]CCc2csc(C(C)C)n2)[C@@H](C)C1 ZINC000343951306 220280233 /nfs/dbraw/zinc/28/02/33/220280233.db2.gz MODKJNCBJJYOHH-JSGCOSHPSA-N 2 0 281.469 2.739 20 0 CFADRP CCC[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000638122149 384436598 /nfs/dbraw/zinc/43/65/98/384436598.db2.gz LPGLPOIBMGDBAL-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP CO[C@](C)(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000638124681 384438051 /nfs/dbraw/zinc/43/80/51/384438051.db2.gz UKFSWOKRDSCYBV-NVXWUHKLSA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+]1CCC(NCc2c(C)cccc2OC)CC1 ZINC000638292879 384536470 /nfs/dbraw/zinc/53/64/70/384536470.db2.gz YMNBXMUNQLEJOJ-UHFFFAOYSA-N 2 0 262.397 2.578 20 0 CFADRP Cc1ccncc1CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000289358927 197311836 /nfs/dbraw/zinc/31/18/36/197311836.db2.gz YMGIBMIEXBBCKT-UHFFFAOYSA-N 2 0 287.451 2.787 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]([NH3+])CCC(C)C)c1 ZINC000638288864 384533887 /nfs/dbraw/zinc/53/38/87/384533887.db2.gz CMHAUMDWYMHAQK-MRXNPFEDSA-N 2 0 291.439 2.759 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638348276 384573940 /nfs/dbraw/zinc/57/39/40/384573940.db2.gz GPUOZNIIHLVLQS-QDMKHBRRSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H](C[NH2+][C@H]1CS[C@H](C)C1)N1CCC[C@@H](C)C1 ZINC000638362760 384587804 /nfs/dbraw/zinc/58/78/04/384587804.db2.gz DXAOJXPABNFHLM-AAVRWANBSA-N 2 0 256.459 2.590 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638381936 384610151 /nfs/dbraw/zinc/61/01/51/384610151.db2.gz QKYMSSWYRQLVIS-AWEZNQCLSA-N 2 0 271.408 2.610 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000638390968 384615702 /nfs/dbraw/zinc/61/57/02/384615702.db2.gz NBFYCAFZTIQDKI-FHERZECASA-N 2 0 268.445 2.513 20 0 CFADRP CCOC1CC(C[NH2+]CCN(C)Cc2ccccc2)C1 ZINC000638409478 384629442 /nfs/dbraw/zinc/62/94/42/384629442.db2.gz YWISHRPURIQOLP-UHFFFAOYSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC2CCOCC2)C1 ZINC000638366129 384591424 /nfs/dbraw/zinc/59/14/24/384591424.db2.gz LNIHSTKBDLNGMA-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)sn1 ZINC000638366266 384592786 /nfs/dbraw/zinc/59/27/86/384592786.db2.gz MISMEEKDRIGFSL-ZDUSSCGKSA-N 2 0 297.468 2.753 20 0 CFADRP COc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)sn1 ZINC000638369183 384595224 /nfs/dbraw/zinc/59/52/24/384595224.db2.gz FFBCTJOHTRNGJZ-UHFFFAOYSA-N 2 0 297.468 2.753 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000638369342 384595253 /nfs/dbraw/zinc/59/52/53/384595253.db2.gz GISVHHYWJIZAKI-UXLLHSPISA-N 2 0 282.472 2.759 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000643346039 384599527 /nfs/dbraw/zinc/59/95/27/384599527.db2.gz UTBFOIHJFLORKB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+](Cc1scnc1C1CC1)CC1CC[NH+](C)CC1 ZINC000494974449 542373735 /nfs/dbraw/zinc/37/37/35/542373735.db2.gz IZGBQCHSRLIEOB-UHFFFAOYSA-N 2 0 279.453 2.794 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638372803 384600430 /nfs/dbraw/zinc/60/04/30/384600430.db2.gz YIPFYLTVJGMGSV-IYBDPMFKSA-N 2 0 290.451 2.637 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000643499046 384663103 /nfs/dbraw/zinc/66/31/03/384663103.db2.gz PCCFMKXNCGZYFW-IAQYHMDHSA-N 2 0 250.361 2.648 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000643498730 384663631 /nfs/dbraw/zinc/66/36/31/384663631.db2.gz KDAJERDTELSNDA-HNNXBMFYSA-N 2 0 291.439 2.610 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000643500759 384664624 /nfs/dbraw/zinc/66/46/24/384664624.db2.gz ZTJCOWPZIWNSFO-STQMWFEESA-N 2 0 252.427 2.658 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453219 384635651 /nfs/dbraw/zinc/63/56/51/384635651.db2.gz PMVRPEWDOVWBAN-MAZHCROVSA-N 2 0 293.842 2.636 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456590 384637195 /nfs/dbraw/zinc/63/71/95/384637195.db2.gz LFOODYCXOTYVNU-JSGCOSHPSA-N 2 0 286.341 2.965 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000643457105 384638037 /nfs/dbraw/zinc/63/80/37/384638037.db2.gz VSVVDQWMLHLBGQ-RDJZCZTQSA-N 2 0 260.425 2.966 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643459403 384640575 /nfs/dbraw/zinc/64/05/75/384640575.db2.gz ZBPZDGRIWSHNHK-IJEWVQPXSA-N 2 0 276.424 2.919 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643457566 384640659 /nfs/dbraw/zinc/64/06/59/384640659.db2.gz NAPUVPMGGQKVTP-CABCVRRESA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000643458283 384640881 /nfs/dbraw/zinc/64/08/81/384640881.db2.gz FPEAZYXYCFXNOH-ROUUACIJSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460380 384643079 /nfs/dbraw/zinc/64/30/79/384643079.db2.gz YGIWIFPYWLFRKP-MXASKKJJSA-N 2 0 273.424 2.695 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463604 384644803 /nfs/dbraw/zinc/64/48/03/384644803.db2.gz NBCDNDQNDMGFPI-MRXNPFEDSA-N 2 0 278.440 2.698 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(N2CCCC2)n1 ZINC000643471250 384652716 /nfs/dbraw/zinc/65/27/16/384652716.db2.gz JIHIUKNPKQHTTN-CQSZACIVSA-N 2 0 290.455 2.597 20 0 CFADRP CC(C)OC1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000643475985 384654381 /nfs/dbraw/zinc/65/43/81/384654381.db2.gz ZYKFWKRPTTXOFF-UHFFFAOYSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643477981 384655240 /nfs/dbraw/zinc/65/52/40/384655240.db2.gz KLJMHZYAKOGUQU-VBQJREDUSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000643480615 384656974 /nfs/dbraw/zinc/65/69/74/384656974.db2.gz HHZBWHONMAHHEC-BXKDBHETSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000643542816 384722932 /nfs/dbraw/zinc/72/29/32/384722932.db2.gz FRITUEYWOKAQIY-COXVUDFISA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000643543783 384723046 /nfs/dbraw/zinc/72/30/46/384723046.db2.gz VTKOCWSGZDHVES-MAUKXSAKSA-N 3 0 289.467 2.787 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C12CCCC2 ZINC000643549006 384728023 /nfs/dbraw/zinc/72/80/23/384728023.db2.gz YXVKIPVNORXNPU-OWCLPIDISA-N 2 0 292.467 2.989 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)C2 ZINC000643545575 384724327 /nfs/dbraw/zinc/72/43/27/384724327.db2.gz KGRGLDBIQAFRLE-GOSISDBHSA-N 2 0 270.420 2.833 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545756 384724571 /nfs/dbraw/zinc/72/45/71/384724571.db2.gz BQOKNVJYWWAAOT-KBPBESRZSA-N 2 0 262.397 2.865 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000643508436 384680755 /nfs/dbraw/zinc/68/07/55/384680755.db2.gz INFXKXFIVIEHAB-ZDUSSCGKSA-N 2 0 252.377 2.734 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000643514094 384684464 /nfs/dbraw/zinc/68/44/64/384684464.db2.gz WJEGZMHESYOXKV-UHOFOFEASA-N 2 0 262.397 2.754 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCC[NH2+]C1 ZINC000643518380 384685010 /nfs/dbraw/zinc/68/50/10/384685010.db2.gz AXFVAOJTCSEXBC-HZPDHXFCSA-N 2 0 280.362 2.931 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643521366 384686044 /nfs/dbraw/zinc/68/60/44/384686044.db2.gz AWAHSVNIVWHDNP-HOCLYGCPSA-N 2 0 292.423 2.505 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000643522011 384686174 /nfs/dbraw/zinc/68/61/74/384686174.db2.gz GHGNOCPSWXBGEP-CABCVRRESA-N 2 0 284.407 2.665 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521388 384686288 /nfs/dbraw/zinc/68/62/88/384686288.db2.gz DACOXRVLQLHUTG-KBPBESRZSA-N 2 0 262.397 2.796 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522527 384688741 /nfs/dbraw/zinc/68/87/41/384688741.db2.gz ONNGXEGWKDJMQV-BXUZGUMPSA-N 2 0 278.371 2.553 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1N(C)C ZINC000643522459 384689210 /nfs/dbraw/zinc/68/92/10/384689210.db2.gz NKGRFXKFOZCDEH-KBPBESRZSA-N 2 0 261.413 2.545 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cnn1C(C)(C)C ZINC000643522022 384689881 /nfs/dbraw/zinc/68/98/81/384689881.db2.gz GLQJMBPNCHROPM-TZMCWYRMSA-N 2 0 278.444 2.739 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643524057 384691007 /nfs/dbraw/zinc/69/10/07/384691007.db2.gz DYBQLSYVOWFAAN-AEGPPILISA-N 2 0 276.428 2.919 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000643523985 384692283 /nfs/dbraw/zinc/69/22/83/384692283.db2.gz UJQNUTVRLFQTBU-JHJVBQTASA-N 2 0 252.427 2.929 20 0 CFADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643525376 384694301 /nfs/dbraw/zinc/69/43/01/384694301.db2.gz BISVKIYXQWSAPQ-XKQJLSEDSA-N 2 0 258.409 2.664 20 0 CFADRP Cc1nc([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c(C)s1 ZINC000643525833 384694522 /nfs/dbraw/zinc/69/45/22/384694522.db2.gz UGPZUHPTDATVIR-AUTRQRHGSA-N 2 0 253.415 2.551 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000113701179 412991608 /nfs/dbraw/zinc/99/16/08/412991608.db2.gz FSZQXNJQZHITLO-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000643529654 384704042 /nfs/dbraw/zinc/70/40/42/384704042.db2.gz JODFJNDYRXHPBZ-VHRBIJSZSA-N 2 0 252.789 2.913 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534487 384705256 /nfs/dbraw/zinc/70/52/56/384705256.db2.gz VWCFOVMVIGVQFR-YGRLFVJLSA-N 2 0 266.335 2.758 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000643533966 384705404 /nfs/dbraw/zinc/70/54/04/384705404.db2.gz IVHTXSBZNFYDCU-NHYWBVRUSA-N 2 0 278.371 2.627 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534473 384705467 /nfs/dbraw/zinc/70/54/67/384705467.db2.gz VVEKIHWAHCJWNZ-NWDGAFQWSA-N 2 0 250.411 2.849 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2cccn2)cc1 ZINC000643533879 384705575 /nfs/dbraw/zinc/70/55/75/384705575.db2.gz HGUQWHGRRYSSIO-RHSMWYFYSA-N 2 0 296.418 2.665 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533919 384705761 /nfs/dbraw/zinc/70/57/61/384705761.db2.gz HTWZCSCYGJCOBZ-GJZGRUSLSA-N 2 0 260.356 2.545 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534330 384705832 /nfs/dbraw/zinc/70/58/32/384705832.db2.gz QWVZTORTZNQESV-HZPDHXFCSA-N 2 0 256.393 2.796 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643534992 384707199 /nfs/dbraw/zinc/70/71/99/384707199.db2.gz HDTWBDYZSLKCQI-IAGOWNOFSA-N 2 0 270.420 2.739 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534511 384707634 /nfs/dbraw/zinc/70/76/34/384707634.db2.gz WKCHHCDGKDXSMA-JKSUJKDBSA-N 2 0 256.393 2.714 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1F ZINC000643534720 384708059 /nfs/dbraw/zinc/70/80/59/384708059.db2.gz AWCCZYMOUWGDOF-XHDPSFHLSA-N 2 0 278.371 2.627 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535433 384709352 /nfs/dbraw/zinc/70/93/52/384709352.db2.gz MGHWZDLJJAVLTI-JKIFEVAISA-N 2 0 288.435 2.919 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535945 384709779 /nfs/dbraw/zinc/70/97/79/384709779.db2.gz QBKWLHNRTBQSJE-HZPDHXFCSA-N 2 0 288.460 2.749 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)C2 ZINC000643536657 384710864 /nfs/dbraw/zinc/71/08/64/384710864.db2.gz UIADYMIKWIVHGD-IRXDYDNUSA-N 2 0 270.420 2.666 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643548297 384727513 /nfs/dbraw/zinc/72/75/13/384727513.db2.gz XVCYGRGRIMZWQN-BHPKHCPMSA-N 2 0 274.433 2.811 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cs1 ZINC000643536283 384711018 /nfs/dbraw/zinc/71/10/18/384711018.db2.gz PNSLCMXWZALMDM-AAEUAGOBSA-N 2 0 250.411 2.849 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000643536112 384711434 /nfs/dbraw/zinc/71/14/34/384711434.db2.gz RCQWFDYMARUZPJ-SKDRFNHKSA-N 2 0 265.426 2.553 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CCC2)c1 ZINC000643536737 384712184 /nfs/dbraw/zinc/71/21/84/384712184.db2.gz VFDAGNLJJRCGDW-HZPDHXFCSA-N 2 0 271.408 2.655 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000643536979 384714732 /nfs/dbraw/zinc/71/47/32/384714732.db2.gz ZTZANWMEHNSPKJ-GWCFXTLKSA-N 2 0 295.814 2.536 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC000638566517 384745844 /nfs/dbraw/zinc/74/58/44/384745844.db2.gz KUHFJVOGKLCMMS-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](CC(C)C)OC)CC1 ZINC000638566074 384746376 /nfs/dbraw/zinc/74/63/76/384746376.db2.gz ZKVVCFTZHHYMIH-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP COc1cccc(C)c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000638566251 384746622 /nfs/dbraw/zinc/74/66/22/384746622.db2.gz FAIMFAJHWOPSRT-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP Cn1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000638587058 384761096 /nfs/dbraw/zinc/76/10/96/384761096.db2.gz ACEVCJZTPAZSMB-CQSZACIVSA-N 2 0 271.408 2.610 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000638587878 384761281 /nfs/dbraw/zinc/76/12/81/384761281.db2.gz IEWQCGBYNNSHQN-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423294087 533086573 /nfs/dbraw/zinc/08/65/73/533086573.db2.gz BGGIWBALSLECRY-GWCFXTLKSA-N 2 0 290.329 2.577 20 0 CFADRP CC(C)C1(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000638668689 384824468 /nfs/dbraw/zinc/82/44/68/384824468.db2.gz KOVWMICJLMQJOI-OAHLLOKOSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](OC)C2CCCC2)CC1 ZINC000638692621 384837994 /nfs/dbraw/zinc/83/79/94/384837994.db2.gz KAFOFDVGVBOZDD-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000680992472 542395360 /nfs/dbraw/zinc/39/53/60/542395360.db2.gz KSFGRKOJUCKLJV-KBAYOESNSA-N 2 0 290.451 2.615 20 0 CFADRP CC(C)C1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000638752603 384890260 /nfs/dbraw/zinc/89/02/60/384890260.db2.gz ZLRWZTOZJOXUBM-IRXDYDNUSA-N 2 0 294.483 2.780 20 0 CFADRP c1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269934930 384911554 /nfs/dbraw/zinc/91/15/54/384911554.db2.gz DUSFRPMKAVWHJJ-HOTGVXAUSA-N 2 0 298.434 2.643 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000638779331 384913290 /nfs/dbraw/zinc/91/32/90/384913290.db2.gz KBOVFPRUUBJXBT-BLYZHGLHSA-N 2 0 256.459 2.590 20 0 CFADRP CO[C@](C)(C[NH2+]C1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000638779961 384913351 /nfs/dbraw/zinc/91/33/51/384913351.db2.gz MXLKOSVBNVYFRS-AVVWSFFYSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000638779333 384913839 /nfs/dbraw/zinc/91/38/39/384913839.db2.gz KBOVFPRUUBJXBT-RYSNWHEDSA-N 2 0 256.459 2.590 20 0 CFADRP c1ccc([C@@H]2C[C@H]([NH2+]CCN3CCC3)CCN2C2CC2)cc1 ZINC000638786437 384916563 /nfs/dbraw/zinc/91/65/63/384916563.db2.gz AQDAXKNLKLSKGP-MJGOQNOKSA-N 2 0 299.462 2.650 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000644523644 384918053 /nfs/dbraw/zinc/91/80/53/384918053.db2.gz IBKDNOSKKRXHLC-HRCADAONSA-N 2 0 290.451 2.635 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638787856 384918998 /nfs/dbraw/zinc/91/89/98/384918998.db2.gz MALALRWWQVHXPH-GTPINHCMSA-N 2 0 290.455 2.544 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638788474 384919711 /nfs/dbraw/zinc/91/97/11/384919711.db2.gz KRZMBFJWTGXWGY-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)C1 ZINC000638788598 384921459 /nfs/dbraw/zinc/92/14/59/384921459.db2.gz LZHBQPWZDAJKHX-MCIONIFRSA-N 2 0 274.399 2.988 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000644557007 384932968 /nfs/dbraw/zinc/93/29/68/384932968.db2.gz UEVDZNLKHWAXME-QGZVFWFLSA-N 2 0 282.472 2.782 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)o1 ZINC000644558537 384934733 /nfs/dbraw/zinc/93/47/33/384934733.db2.gz VGHAEOASLRGSPZ-GFCCVEGCSA-N 2 0 279.428 2.755 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000337491721 285146831 /nfs/dbraw/zinc/14/68/31/285146831.db2.gz WRXAMQZFLJUSFW-JJXSEGSLSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000638838350 384972053 /nfs/dbraw/zinc/97/20/53/384972053.db2.gz GYGPXFLSRRPJDC-MRXNPFEDSA-N 2 0 270.420 2.643 20 0 CFADRP CO[C@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)CC(C)C ZINC000638852000 384986988 /nfs/dbraw/zinc/98/69/88/384986988.db2.gz SLBIFJBIIQCMIT-KRWDZBQOSA-N 2 0 278.440 2.899 20 0 CFADRP COc1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)s1 ZINC000638851515 384987253 /nfs/dbraw/zinc/98/72/53/384987253.db2.gz NJBWSDPKCIUGMH-UHFFFAOYSA-N 2 0 291.420 2.503 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369215242 285147800 /nfs/dbraw/zinc/14/78/00/285147800.db2.gz OGBLLSKEKGVZCU-ZGRYLRDCSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638865222 384998311 /nfs/dbraw/zinc/99/83/11/384998311.db2.gz UHXZDSURQAXSKL-ARFHVFGLSA-N 2 0 297.487 2.534 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000337419474 285148388 /nfs/dbraw/zinc/14/83/88/285148388.db2.gz FDXQWMXKLAHFRT-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP c1cncc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CCC2)c1 ZINC000280423864 385012548 /nfs/dbraw/zinc/01/25/48/385012548.db2.gz ZOKLXRKQTQJRAJ-KBXCAEBGSA-N 2 0 285.435 2.997 20 0 CFADRP CO[C@H](C[NH2+]CC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC000638958783 385056880 /nfs/dbraw/zinc/05/68/80/385056880.db2.gz NLOQKFNSOZRTBW-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](CC(C)(C)Oc3ccccc3)[C@H]2C1 ZINC000638919143 385030007 /nfs/dbraw/zinc/03/00/07/385030007.db2.gz ZLXOCDFKJJKUHS-WBVHZDCISA-N 2 0 288.435 2.870 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(F)F)nc3)[C@@H]2C1 ZINC000638917517 385031304 /nfs/dbraw/zinc/03/13/04/385031304.db2.gz GGLMNZITJLZFMY-TZMCWYRMSA-N 2 0 281.350 2.545 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000270452411 385109755 /nfs/dbraw/zinc/10/97/55/385109755.db2.gz LDACPMIQTDCKCK-KRWDZBQOSA-N 2 0 258.409 2.850 20 0 CFADRP CC[C@](C)(C[NH2+]CC[C@@H](C)[NH+]1CCCCC1)OC ZINC000639039046 385111995 /nfs/dbraw/zinc/11/19/95/385111995.db2.gz ZFGVNYMNKCZLJS-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H](CC[NH2+]CCC1CCOCC1)[NH+]1CCCCC1 ZINC000639039084 385112129 /nfs/dbraw/zinc/11/21/29/385112129.db2.gz ZWIJCHSGXXEDKC-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H](CC[NH2+]CCC1CCOCC1)[NH+]1CCCCC1 ZINC000639039085 385112168 /nfs/dbraw/zinc/11/21/68/385112168.db2.gz ZWIJCHSGXXEDKC-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000639045925 385122567 /nfs/dbraw/zinc/12/25/67/385122567.db2.gz GIMQHYLRWDWEAN-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000270507638 385128503 /nfs/dbraw/zinc/12/85/03/385128503.db2.gz RGCRKNMRYNOPPO-HNNXBMFYSA-N 2 0 276.399 2.989 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000639056774 385137158 /nfs/dbraw/zinc/13/71/58/385137158.db2.gz IAMMMJGXMHJETK-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000270425843 385100218 /nfs/dbraw/zinc/10/02/18/385100218.db2.gz GUSNYJUWQFAIGP-WBVHZDCISA-N 2 0 290.451 2.950 20 0 CFADRP Cc1nccn1CCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000270681856 385187596 /nfs/dbraw/zinc/18/75/96/385187596.db2.gz VAVFAVXTBYIFEJ-PBHICJAKSA-N 2 0 285.391 2.654 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000639102361 385193676 /nfs/dbraw/zinc/19/36/76/385193676.db2.gz KONGHXKRLDZFDA-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000270613306 385164859 /nfs/dbraw/zinc/16/48/59/385164859.db2.gz IJRNEMJSLWAWFD-RKYPPNDESA-N 2 0 290.451 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2cccs2)[C@@H](C)C1 ZINC000270636668 385173322 /nfs/dbraw/zinc/17/33/22/385173322.db2.gz NLWKCXATKRRYOF-XGUBFFRZSA-N 2 0 296.480 2.880 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H]1C ZINC000639129363 385227961 /nfs/dbraw/zinc/22/79/61/385227961.db2.gz SIYWJGGKJYJUPG-OWCLPIDISA-N 2 0 296.499 2.884 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@@H]1C ZINC000639129362 385228298 /nfs/dbraw/zinc/22/82/98/385228298.db2.gz SIYWJGGKJYJUPG-OAGGEKHMSA-N 2 0 296.499 2.884 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000639170551 385276810 /nfs/dbraw/zinc/27/68/10/385276810.db2.gz UPWMYDKOFDXDBH-TWMKSMIVSA-N 2 0 292.467 2.654 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC(C)(C)Oc3ccccc3)C2)C1 ZINC000639203886 385322921 /nfs/dbraw/zinc/32/29/21/385322921.db2.gz MSCFJVOWPTUOLY-GOSISDBHSA-N 2 0 288.435 2.872 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(F)F)nc1 ZINC000639179037 385290597 /nfs/dbraw/zinc/29/05/97/385290597.db2.gz RCTOVLOZOHTAES-RISCZKNCSA-N 2 0 283.366 2.791 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000639208351 385330121 /nfs/dbraw/zinc/33/01/21/385330121.db2.gz SBCPARKGWGOPFK-UHFFFAOYSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CS1 ZINC000639211234 385334594 /nfs/dbraw/zinc/33/45/94/385334594.db2.gz RVBJWSCRHRGKAY-ZIAGYGMSSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCC[NH+](C)C ZINC000282636519 385358627 /nfs/dbraw/zinc/35/86/27/385358627.db2.gz KVNCPCXVTQGLSK-LBPRGKRZSA-N 2 0 254.805 2.812 20 0 CFADRP CO[C@H](C[NH2+]CCCC[N@H+](C)C1CC1)C1CCCC1 ZINC000639243855 385374221 /nfs/dbraw/zinc/37/42/21/385374221.db2.gz DIHVMWAKYYKCOW-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1nc2ccccc2o1)C1CC1 ZINC000639247865 385378301 /nfs/dbraw/zinc/37/83/01/385378301.db2.gz ZDZAFYDWWBHLNB-UHFFFAOYSA-N 2 0 273.380 2.792 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000288989710 197207403 /nfs/dbraw/zinc/20/74/03/197207403.db2.gz DABCCARUVAPRDE-MRXNPFEDSA-N 2 0 275.440 2.596 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000121324247 412998249 /nfs/dbraw/zinc/99/82/49/412998249.db2.gz RNDWFRQCPZAYBJ-QZWWFDLISA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)CS1 ZINC000639345433 385469712 /nfs/dbraw/zinc/46/97/12/385469712.db2.gz LMXBRAJQGXZXGU-NFAWXSAZSA-N 2 0 268.470 2.877 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH+](CC2CC2)CC2CC2)cc1 ZINC000420296782 533122022 /nfs/dbraw/zinc/12/20/22/533122022.db2.gz DVQILHZNUQVXPE-KRWDZBQOSA-N 2 0 288.435 2.860 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121040333 412998625 /nfs/dbraw/zinc/99/86/25/412998625.db2.gz NRMOPMWSYMBXPX-ULQDDVLXSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236909 385483527 /nfs/dbraw/zinc/48/35/27/385483527.db2.gz VREBDZOGSRGLSR-RYQLBKOJSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)sn1 ZINC000639336385 385462220 /nfs/dbraw/zinc/46/22/20/385462220.db2.gz CBPNUPWXGNEGAL-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375299 385492393 /nfs/dbraw/zinc/49/23/93/385492393.db2.gz SUELIRQNBGZULI-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP CC1(C)CO[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000639452992 385538643 /nfs/dbraw/zinc/53/86/43/385538643.db2.gz VSRUFDZBRZOFRQ-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CCCC[C@H]1O ZINC000272447802 385539169 /nfs/dbraw/zinc/53/91/69/385539169.db2.gz BXOLWDKRSPLIKV-FUHWJXTLSA-N 2 0 299.418 2.855 20 0 CFADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)CC1 ZINC000284172070 385544129 /nfs/dbraw/zinc/54/41/29/385544129.db2.gz XBDITFAKTKIYON-UHFFFAOYSA-N 2 0 299.418 2.778 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000284055472 385528653 /nfs/dbraw/zinc/52/86/53/385528653.db2.gz KNKYLROGQKOSBR-CXAGYDPISA-N 2 0 286.419 2.844 20 0 CFADRP C[C@H](CC[NH2+]C1CCC(O)CC1)[N@H+](C)Cc1ccccc1 ZINC000286237459 385576347 /nfs/dbraw/zinc/57/63/47/385576347.db2.gz TVHFPQJWXUBBPC-FAEJEUNOSA-N 2 0 290.451 2.790 20 0 CFADRP CCCC[N@H+](CCO)Cc1c(C)cc(C)nc1C ZINC000639475078 385552285 /nfs/dbraw/zinc/55/22/85/385552285.db2.gz UBEUAMJCGSXZEP-UHFFFAOYSA-N 2 0 250.386 2.601 20 0 CFADRP COCCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272495303 385553143 /nfs/dbraw/zinc/55/31/43/385553143.db2.gz NGFDTRQDLFNWAD-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000639495983 385560252 /nfs/dbraw/zinc/56/02/52/385560252.db2.gz LGGMXMWLCOGIGR-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000639497441 385561299 /nfs/dbraw/zinc/56/12/99/385561299.db2.gz KYBCRTXDQBQIFO-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000286158916 385565716 /nfs/dbraw/zinc/56/57/16/385565716.db2.gz PGDFRJMPURGENL-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)C[C@@H]1C ZINC000639509898 385565748 /nfs/dbraw/zinc/56/57/48/385565748.db2.gz PLPRFBOVPBREMQ-KKUMJFAQSA-N 2 0 268.445 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC(C)(C)CO2)C[C@H]1C ZINC000639509899 385565885 /nfs/dbraw/zinc/56/58/85/385565885.db2.gz PLPRFBOVPBREMQ-QLFBSQMISA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@H](O)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572559 385566567 /nfs/dbraw/zinc/56/65/67/385566567.db2.gz INLCTDRIUPYPKY-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000272723860 385596722 /nfs/dbraw/zinc/59/67/22/385596722.db2.gz GEPUQROHEQNIRL-OLZOCXBDSA-N 2 0 277.412 2.636 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000286258834 385578321 /nfs/dbraw/zinc/57/83/21/385578321.db2.gz UTQMYGVAEGCHJO-LLVKDONJSA-N 2 0 284.425 2.527 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(F)cc2C)CC[C@@H]1[NH3+] ZINC000122338793 413004667 /nfs/dbraw/zinc/00/46/67/413004667.db2.gz TUKIFHMRVSBUOM-DOMZBBRYSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579926 385592900 /nfs/dbraw/zinc/59/29/00/385592900.db2.gz MHZQFWUGSKQXCM-XUWVNRHRSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc3c2CCOC3)CC1 ZINC000639613695 385613638 /nfs/dbraw/zinc/61/36/38/385613638.db2.gz VBOXXNREPJEDDE-QGZVFWFLSA-N 2 0 288.435 2.675 20 0 CFADRP c1cc(N2CCC[N@@H+](CC[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000639701871 385672960 /nfs/dbraw/zinc/67/29/60/385672960.db2.gz FIOVRVHGQIEENH-QGZVFWFLSA-N 2 0 289.423 2.553 20 0 CFADRP CO[C@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000639756625 385698169 /nfs/dbraw/zinc/69/81/69/385698169.db2.gz ZLEVDEYKPGJLCS-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP CCO[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000639984452 385805849 /nfs/dbraw/zinc/80/58/49/385805849.db2.gz VQMRCYUDZWKIJW-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639986321 385806571 /nfs/dbraw/zinc/80/65/71/385806571.db2.gz SQUQXXYZWOKTHJ-OAHLLOKOSA-N 2 0 293.480 2.882 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000274630553 385837519 /nfs/dbraw/zinc/83/75/19/385837519.db2.gz ZKNWJWNPPLNVHN-LLVKDONJSA-N 2 0 266.410 2.669 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CCCC[NH+](C)C)cc1F ZINC000274663789 385844061 /nfs/dbraw/zinc/84/40/61/385844061.db2.gz NNRUXKXSFKUAIO-CQSZACIVSA-N 2 0 296.430 2.944 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274898696 385893202 /nfs/dbraw/zinc/89/32/02/385893202.db2.gz KVLUSYZPLVBLJQ-NXHRZFHOSA-N 2 0 290.451 2.648 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122750127 413009525 /nfs/dbraw/zinc/00/95/25/413009525.db2.gz AECZVSCPDPLTRV-WFASDCNBSA-N 2 0 282.815 2.778 20 0 CFADRP CC(C)(C[NH2+]Cc1ccc2c[nH]nc2c1)C[NH+]1CCCC1 ZINC000276613127 385991792 /nfs/dbraw/zinc/99/17/92/385991792.db2.gz GBQHDJOPHIWDEM-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000275098916 385933155 /nfs/dbraw/zinc/93/31/55/385933155.db2.gz BMRUBHGNDKXTKB-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccccc1F ZINC000275238011 385962529 /nfs/dbraw/zinc/96/25/29/385962529.db2.gz GINYTZPKNOGITL-SWLSCSKDSA-N 2 0 250.361 2.598 20 0 CFADRP COc1cc2c(cc1F)C[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414756817 533163914 /nfs/dbraw/zinc/16/39/14/533163914.db2.gz KIKKEMOJWBOYCC-STQMWFEESA-N 2 0 292.398 2.581 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000125159105 413014181 /nfs/dbraw/zinc/01/41/81/413014181.db2.gz OEVTYRWTLGLIFU-ULQDDVLXSA-N 2 0 292.467 2.654 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1O ZINC000414197450 533166946 /nfs/dbraw/zinc/16/69/46/533166946.db2.gz VTRMJKOPCQFYTQ-UONOGXRCSA-N 2 0 292.423 2.783 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000423259759 533167984 /nfs/dbraw/zinc/16/79/84/533167984.db2.gz OTYAKOUYJAORSP-KBPBESRZSA-N 2 0 292.423 2.744 20 0 CFADRP COCC1CCC([NH2+]CC2([NH3+])CCCCCC2)CC1 ZINC000423201841 533168998 /nfs/dbraw/zinc/16/89/98/533168998.db2.gz PVTJOTQSIXDHGP-UHFFFAOYSA-N 2 0 268.445 2.833 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423334130 533170901 /nfs/dbraw/zinc/17/09/01/533170901.db2.gz QNKMBQNPTLQDNP-SUMWQHHRSA-N 2 0 292.423 2.744 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccccc21 ZINC000268964053 285290385 /nfs/dbraw/zinc/29/03/85/285290385.db2.gz YDZZDFGSCHZLBF-AEFFLSMTSA-N 2 0 288.435 2.500 20 0 CFADRP O[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)C[NH+]1CCCC1 ZINC000352826042 285304630 /nfs/dbraw/zinc/30/46/30/285304630.db2.gz VLZNEUHFHOUYHY-INIZCTEOSA-N 2 0 280.456 2.536 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000423282507 533221416 /nfs/dbraw/zinc/22/14/16/533221416.db2.gz VGCGUSSNDDPPPD-MJVIPROJSA-N 2 0 297.830 2.912 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338002071 285316937 /nfs/dbraw/zinc/31/69/37/285316937.db2.gz STAQEJDIGUDMMF-ZJPYXAASSA-N 2 0 292.467 2.533 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H]2CCCC23CCCCC3)CCC[NH2+]1 ZINC000423416549 285325568 /nfs/dbraw/zinc/32/55/68/285325568.db2.gz QYAJMOWKBUKOHX-WBVHZDCISA-N 2 0 280.456 2.848 20 0 CFADRP C[C@H]1SCC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1C ZINC000133031066 413040254 /nfs/dbraw/zinc/04/02/54/413040254.db2.gz HBGHZGPMSDZUHN-QWHCGFSZSA-N 2 0 276.449 2.658 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000682133554 542524332 /nfs/dbraw/zinc/52/43/32/542524332.db2.gz ODQDTOHTAYZKCT-KRWDZBQOSA-N 2 0 298.434 2.821 20 0 CFADRP C[NH+](C)CC1(C[NH2+]Cc2ccc(O)cc2)CCCC1 ZINC000682406070 542549224 /nfs/dbraw/zinc/54/92/24/542549224.db2.gz KCJDPONRSJGQSL-UHFFFAOYSA-N 2 0 262.397 2.604 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CSC1)N(C)C ZINC000682409338 542549995 /nfs/dbraw/zinc/54/99/95/542549995.db2.gz OAJMMNWEHBEEGJ-DOMZBBRYSA-N 2 0 264.438 2.691 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000020200382 542571029 /nfs/dbraw/zinc/57/10/29/542571029.db2.gz LCJWOKMKMVESOC-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985458 781988689 /nfs/dbraw/zinc/98/86/89/781988689.db2.gz YGZWEULENYGKGS-WBVHZDCISA-N 2 0 290.451 2.935 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000249056802 285364992 /nfs/dbraw/zinc/36/49/92/285364992.db2.gz YVSAZZDSPSVOOH-YOEHRIQHSA-N 2 0 273.424 2.865 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000234806346 285373944 /nfs/dbraw/zinc/37/39/44/285373944.db2.gz LRUZHMSZOFSFOK-RRFJBIMHSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@]1(C[NH2+]C2CCC(C(C)C)CC2)CCC[NH2+]1 ZINC000414937636 533235433 /nfs/dbraw/zinc/23/54/33/533235433.db2.gz DIXRVUHFHALEIM-UYSNPLJNSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@H](CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)CC[NH2+]1 ZINC000414867407 297401727 /nfs/dbraw/zinc/40/17/27/297401727.db2.gz INHWNPNWEWRUJQ-HZSPNIEDSA-N 2 0 291.414 2.512 20 0 CFADRP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000446740380 285400542 /nfs/dbraw/zinc/40/05/42/285400542.db2.gz CUZYKFXRIATWKN-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423172236 533335189 /nfs/dbraw/zinc/33/51/89/533335189.db2.gz RXHYAARPPLBECB-IKWCTNDRSA-N 2 0 260.372 2.931 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-n2cccn2)cc1 ZINC000422813642 533342017 /nfs/dbraw/zinc/34/20/17/533342017.db2.gz YHRZJQORERNDRD-KTFSGNIMSA-N 2 0 296.418 2.806 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000422916706 533353445 /nfs/dbraw/zinc/35/34/45/533353445.db2.gz BLWMFQGOYAYVAC-SNVBAGLBSA-N 2 0 284.806 2.954 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422939844 533364084 /nfs/dbraw/zinc/36/40/84/533364084.db2.gz GCALIBFZVIUDCS-ZDUSSCGKSA-N 2 0 264.413 2.690 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(F)c1F ZINC000423345959 533366658 /nfs/dbraw/zinc/36/66/58/533366658.db2.gz OSAPSOMORGHMSB-SNVBAGLBSA-N 2 0 252.308 2.535 20 0 CFADRP C[C@@H]([NH2+]CCCCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422739758 533377252 /nfs/dbraw/zinc/37/72/52/533377252.db2.gz MDBPROUZDLRSEA-WBVHZDCISA-N 2 0 275.440 2.633 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000414064757 533377542 /nfs/dbraw/zinc/37/75/42/533377542.db2.gz GCTSVKLETQWELF-LSDHHAIUSA-N 2 0 278.444 2.725 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422783508 533384706 /nfs/dbraw/zinc/38/47/06/533384706.db2.gz LGTPUXSYEZOYJJ-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422763146 533385665 /nfs/dbraw/zinc/38/56/65/533385665.db2.gz SZAHDPWXLBZJJN-ZBFHGGJFSA-N 2 0 261.413 2.609 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414855370 533447251 /nfs/dbraw/zinc/44/72/51/533447251.db2.gz MYVVXSJRBJFMBK-TZMCWYRMSA-N 2 0 298.377 2.808 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000423451188 533400581 /nfs/dbraw/zinc/40/05/81/533400581.db2.gz IDFSCTSAJIKVNC-KKUMJFAQSA-N 2 0 284.444 2.606 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422944926 533455987 /nfs/dbraw/zinc/45/59/87/533455987.db2.gz MGSLAHWQIJREIH-DLBZAZTESA-N 2 0 276.424 2.877 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414827870 533409716 /nfs/dbraw/zinc/40/97/16/533409716.db2.gz YOXZOAZLLCVNLH-UMVBOHGHSA-N 2 0 264.388 2.907 20 0 CFADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414877344 533424280 /nfs/dbraw/zinc/42/42/80/533424280.db2.gz MORGATWRVRVXGC-MRVPVSSYSA-N 2 0 277.195 2.686 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423344856 533425191 /nfs/dbraw/zinc/42/51/91/533425191.db2.gz YJSOZWYKULCVPN-QAPCUYQASA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000422792536 533494876 /nfs/dbraw/zinc/49/48/76/533494876.db2.gz ZLAINOMCULIUIQ-ZJUUUORDSA-N 2 0 283.213 2.708 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(Cl)c1 ZINC000422887847 533501956 /nfs/dbraw/zinc/50/19/56/533501956.db2.gz LNVHLVTULNZIRU-LRDDRELGSA-N 2 0 296.842 2.869 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414864435 533508042 /nfs/dbraw/zinc/50/80/42/533508042.db2.gz YOMPBXYCVDEGKT-GDBMZVCRSA-N 2 0 276.424 2.606 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1O ZINC000424369282 533508572 /nfs/dbraw/zinc/50/85/72/533508572.db2.gz REAGDCDQEYAOIY-BPLDGKMQSA-N 2 0 292.423 2.581 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026916 533511989 /nfs/dbraw/zinc/51/19/89/533511989.db2.gz VIXBYLUZOFPZHS-BPUTZDHNSA-N 2 0 268.445 2.546 20 0 CFADRP COc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414800561 533574421 /nfs/dbraw/zinc/57/44/21/533574421.db2.gz LCGXKCPDYCYLOB-DZGCQCFKSA-N 2 0 292.423 2.619 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422859554 533538380 /nfs/dbraw/zinc/53/83/80/533538380.db2.gz KIXBIOVCKGCOTI-HNNXBMFYSA-N 2 0 286.423 2.522 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000422899863 533538582 /nfs/dbraw/zinc/53/85/82/533538582.db2.gz PIOSKCCAWFFCNT-LSDHHAIUSA-N 2 0 293.430 2.759 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000414696199 533539051 /nfs/dbraw/zinc/53/90/51/533539051.db2.gz PSSRTGXVEICCML-GDBMZVCRSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000415013335 533539331 /nfs/dbraw/zinc/53/93/31/533539331.db2.gz KNVZFJQXMQOFQV-NSHDSACASA-N 2 0 280.803 2.595 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000423101907 533539646 /nfs/dbraw/zinc/53/96/46/533539646.db2.gz DOINMUJNQHLLEI-BBRMVZONSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422760543 533540657 /nfs/dbraw/zinc/54/06/57/533540657.db2.gz LZMGEEZVOFKVAJ-HOCLYGCPSA-N 2 0 293.430 2.902 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000423118911 533541169 /nfs/dbraw/zinc/54/11/69/533541169.db2.gz CPBRZANFKMHKDH-SWLSCSKDSA-N 2 0 284.831 2.871 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422881369 533553723 /nfs/dbraw/zinc/55/37/23/533553723.db2.gz QLGFUDFVAYEEMP-LBPRGKRZSA-N 2 0 259.353 2.559 20 0 CFADRP C[C@@H](CC[NH2+]CC[C@@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000400717740 533608101 /nfs/dbraw/zinc/60/81/01/533608101.db2.gz UXQZYCJNUAFXJT-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835861 533671125 /nfs/dbraw/zinc/67/11/25/533671125.db2.gz RZOACCZNRRZWRR-RDJZCZTQSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827681 533669373 /nfs/dbraw/zinc/66/93/73/533669373.db2.gz HNOBGKSHUQLSGI-DZGCQCFKSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1ccnc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000683017803 542628917 /nfs/dbraw/zinc/62/89/17/542628917.db2.gz QVYSFQDCZHHVEV-ZBFHGGJFSA-N 2 0 270.380 2.670 20 0 CFADRP [NH3+]C1(C[NH2+]CCCOc2cccc(Cl)c2)CCC1 ZINC000342146400 130338268 /nfs/dbraw/zinc/33/82/68/130338268.db2.gz SQQHIAXUCVEMMR-UHFFFAOYSA-N 2 0 268.788 2.580 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423448003 285456272 /nfs/dbraw/zinc/45/62/72/285456272.db2.gz URJDBBXKAYSCMZ-SOUVJXGZSA-N 2 0 260.381 2.635 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000192673963 130535483 /nfs/dbraw/zinc/53/54/83/130535483.db2.gz LLFGIROCODSRQV-YJBOKZPZSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)CCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683221329 542655261 /nfs/dbraw/zinc/65/52/61/542655261.db2.gz LSZKFRNQMHEYMP-QGZVFWFLSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237051386 131000736 /nfs/dbraw/zinc/00/07/36/131000736.db2.gz XUCZPDXHXLLULZ-LSDHHAIUSA-N 2 0 289.423 2.513 20 0 CFADRP Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccn1 ZINC000245609613 131087056 /nfs/dbraw/zinc/08/70/56/131087056.db2.gz NVHBTAWWMQNINH-OCCSQVGLSA-N 2 0 290.411 2.632 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246012759 131091056 /nfs/dbraw/zinc/09/10/56/131091056.db2.gz RXQLUSIYAJVRIX-HOTGVXAUSA-N 2 0 283.419 2.927 20 0 CFADRP Fc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000252674942 131136606 /nfs/dbraw/zinc/13/66/06/131136606.db2.gz WBTJLVIUERHHFW-KBPBESRZSA-N 2 0 266.335 2.681 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423239828 285500022 /nfs/dbraw/zinc/50/00/22/285500022.db2.gz BSNPRTUNFSVNRP-CQSZACIVSA-N 2 0 258.409 2.523 20 0 CFADRP CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268707682 132053139 /nfs/dbraw/zinc/05/31/39/132053139.db2.gz ITKRMFBDPGTCBY-ZBFHGGJFSA-N 2 0 278.465 2.850 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccccc1F ZINC000268736028 132058318 /nfs/dbraw/zinc/05/83/18/132058318.db2.gz PXNDPLMOEXLJAB-IPYPFGDCSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000268786872 132065985 /nfs/dbraw/zinc/06/59/85/132065985.db2.gz DBSSFMIHZPKZQU-DVOMOZLQSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)COC2 ZINC000268864948 132079244 /nfs/dbraw/zinc/07/92/44/132079244.db2.gz ZPUMRUXSIXNJCJ-ZIAGYGMSSA-N 2 0 286.419 2.852 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2)C1 ZINC000269136345 132118697 /nfs/dbraw/zinc/11/86/97/132118697.db2.gz RPYSPRDRIRUPMI-ZBFHGGJFSA-N 2 0 262.372 2.742 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683927075 542745599 /nfs/dbraw/zinc/74/55/99/542745599.db2.gz QBAFGYUCQUQYRA-AWEZNQCLSA-N 2 0 271.408 2.988 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683926873 542745844 /nfs/dbraw/zinc/74/58/44/542745844.db2.gz IJDDHCOQTMMUKY-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927802 542745984 /nfs/dbraw/zinc/74/59/84/542745984.db2.gz YNHDMZDNJGZDND-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000684111655 542766495 /nfs/dbraw/zinc/76/64/95/542766495.db2.gz AWLJUJCAJCWHMO-JKSUJKDBSA-N 2 0 292.471 2.766 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178973958 393450697 /nfs/dbraw/zinc/45/06/97/393450697.db2.gz JFUPXKCKDPJBDN-RHSMWYFYSA-N 2 0 258.409 2.864 20 0 CFADRP C(C[NH+]1CCCC1)C[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000374841844 393503575 /nfs/dbraw/zinc/50/35/75/393503575.db2.gz GKWIOZTUFRCKJZ-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000182747576 393514244 /nfs/dbraw/zinc/51/42/44/393514244.db2.gz ZDEZQBNRYHWOAD-RDJZCZTQSA-N 2 0 285.391 2.735 20 0 CFADRP CCc1cc(N2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000307770928 393514964 /nfs/dbraw/zinc/51/49/64/393514964.db2.gz MSKSGHBFRDMFKE-UHFFFAOYSA-N 2 0 281.403 2.966 20 0 CFADRP CCC[N@H+](CCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000037539134 393532081 /nfs/dbraw/zinc/53/20/81/393532081.db2.gz SPBASFUGTLSCGZ-UHFFFAOYSA-N 2 0 276.424 2.920 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000377586301 393532721 /nfs/dbraw/zinc/53/27/21/393532721.db2.gz UDYVCJRRLLAOOJ-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000380861194 393557644 /nfs/dbraw/zinc/55/76/44/393557644.db2.gz FARLSHWQQOUEBB-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000684388879 542798647 /nfs/dbraw/zinc/79/86/47/542798647.db2.gz ILFOIPCSJUPNJV-IRXDYDNUSA-N 2 0 276.424 2.795 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C1 ZINC000684394963 542799945 /nfs/dbraw/zinc/79/99/45/542799945.db2.gz RADHJEIMGBCWKM-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401108016 393602124 /nfs/dbraw/zinc/60/21/24/393602124.db2.gz FTLZEZCYPMTXNR-RMRHIDDWSA-N 2 0 292.398 2.873 20 0 CFADRP C(C[NH2+]CC1CCSCC1)C[NH+]1CCCCC1 ZINC000401739846 393604802 /nfs/dbraw/zinc/60/48/02/393604802.db2.gz IQTDOAMCLBRADS-UHFFFAOYSA-N 2 0 256.459 2.595 20 0 CFADRP CCC[C@@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)OC ZINC000385954493 393583772 /nfs/dbraw/zinc/58/37/72/393583772.db2.gz AGSQTYUDBOVUCO-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000386369751 393586346 /nfs/dbraw/zinc/58/63/46/393586346.db2.gz PCADOJAXZBUKJC-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000388236728 393591469 /nfs/dbraw/zinc/59/14/69/393591469.db2.gz SRHRQZCWFDDFIU-INIZCTEOSA-N 2 0 297.446 2.738 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000402565806 393610028 /nfs/dbraw/zinc/61/00/28/393610028.db2.gz MCWYBVUWAFXXAQ-WOPDTQHZSA-N 2 0 266.351 2.895 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000404786326 393621973 /nfs/dbraw/zinc/62/19/73/393621973.db2.gz YLHPCQXUXMHTBT-BDAKNGLRSA-N 2 0 289.242 2.726 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)C(C)C ZINC000192726901 393631410 /nfs/dbraw/zinc/63/14/10/393631410.db2.gz OVIDIZHAKGCSCD-KRWDZBQOSA-N 2 0 283.504 2.769 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]C1CCC([NH3+])CC1)CCC2 ZINC000335502720 393672771 /nfs/dbraw/zinc/67/27/71/393672771.db2.gz XHIJONXLZPQFRX-HTAVTVPLSA-N 2 0 279.453 2.942 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000336440355 393735307 /nfs/dbraw/zinc/73/53/07/393735307.db2.gz FHUXMDLTRQZJOY-AAEUAGOBSA-N 2 0 260.372 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSC(C)C)C[C@H]1C ZINC000336706059 393748318 /nfs/dbraw/zinc/74/83/18/393748318.db2.gz MWKORYGFXDCHRS-ZIAGYGMSSA-N 2 0 258.475 2.933 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1Cc2ccccc2C1 ZINC000203784393 393749680 /nfs/dbraw/zinc/74/96/80/393749680.db2.gz SBJKGIVCJUBWPT-INIZCTEOSA-N 2 0 258.409 2.570 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000086585814 393755439 /nfs/dbraw/zinc/75/54/39/393755439.db2.gz ATBNYBQTFNTVCP-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP CC(C)CN1CCO[C@H](C[NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000194807863 393717585 /nfs/dbraw/zinc/71/75/85/393717585.db2.gz MRKVYYAKOGQPDJ-SJLPKXTDSA-N 2 0 290.451 2.737 20 0 CFADRP C[C@H](O)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000411536145 393723725 /nfs/dbraw/zinc/72/37/25/393723725.db2.gz GRYYLGZYMOWKJW-JYJNAYRXSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nccs1 ZINC000080268116 393725571 /nfs/dbraw/zinc/72/55/71/393725571.db2.gz HJGTUWKDYIHPHL-LBPRGKRZSA-N 2 0 288.420 2.858 20 0 CFADRP C[N@H+](CCCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411620391 393730872 /nfs/dbraw/zinc/73/08/72/393730872.db2.gz PIKRHIQMIURVTR-UHFFFAOYSA-N 2 0 290.451 2.877 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@H](C)C1 ZINC000424334485 393833639 /nfs/dbraw/zinc/83/36/39/393833639.db2.gz VQQJSGAYYIWRIL-LAVFITLUSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000424334184 393833752 /nfs/dbraw/zinc/83/37/52/393833752.db2.gz YSQYVIYVDDSPLH-CJNGLKHVSA-N 2 0 274.408 2.830 20 0 CFADRP C[C@H]1C[C@H](Nc2cc[nH+]c3c(O)cccc23)CC[N@@H+]1C ZINC000684575393 542829826 /nfs/dbraw/zinc/82/98/26/542829826.db2.gz HITOLKICVGZHNX-NWDGAFQWSA-N 2 0 271.364 2.835 20 0 CFADRP C[C@@H]([NH2+]C1CCN(C)CC1)c1cnn(C2CCCC2)c1 ZINC000337411639 393764033 /nfs/dbraw/zinc/76/40/33/393764033.db2.gz WLMIOWUKCSKWFD-CYBMUJFWSA-N 2 0 276.428 2.743 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227054938 393771796 /nfs/dbraw/zinc/77/17/96/393771796.db2.gz SYIMJFIBMBYVMD-XJKSGUPXSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337990490 393772341 /nfs/dbraw/zinc/77/23/41/393772341.db2.gz UGMRXKJVCYRJBW-VDERGJSUSA-N 2 0 268.420 2.977 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338306960 393781224 /nfs/dbraw/zinc/78/12/24/393781224.db2.gz WWWAHERSLRYTDL-CHWSQXEVSA-N 2 0 260.372 2.695 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000234700077 393783420 /nfs/dbraw/zinc/78/34/20/393783420.db2.gz QYMFJWJWJFFCGO-ZFWWWQNUSA-N 2 0 294.439 2.945 20 0 CFADRP [NH3+][C@H]1CCCCCC[C@@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424341335 393836538 /nfs/dbraw/zinc/83/65/38/393836538.db2.gz UYRMOZPOZLJDRL-STQMWFEESA-N 2 0 292.427 2.953 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC[N@@H+]1C ZINC000414191904 393797012 /nfs/dbraw/zinc/79/70/12/393797012.db2.gz LOHWQNYLEJHTQW-MIGQKNRLSA-N 2 0 250.430 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOCC(F)(F)F)[C@@H](C)C1 ZINC000245417705 393803264 /nfs/dbraw/zinc/80/32/64/393803264.db2.gz GFANZQOADZYYIM-STQMWFEESA-N 2 0 296.377 2.618 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1[NH3+] ZINC000414765154 393803530 /nfs/dbraw/zinc/80/35/30/393803530.db2.gz PIYFFFWFRKNPPI-MWQQHZPXSA-N 2 0 258.409 2.776 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000414756847 393803806 /nfs/dbraw/zinc/80/38/06/393803806.db2.gz RHQAOUHBGDKWIX-INMHGKMJSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826118 393805789 /nfs/dbraw/zinc/80/57/89/393805789.db2.gz IOBYHNWAGFNVJV-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[C@H](C)[NH3+])CC3 ZINC000414828420 393806042 /nfs/dbraw/zinc/80/60/42/393806042.db2.gz ZPBNSFAIJOXTBW-QWHCGFSZSA-N 2 0 271.408 2.661 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777287 393806092 /nfs/dbraw/zinc/80/60/92/393806092.db2.gz HYVYKSJRKHJCLH-KBPBESRZSA-N 2 0 290.455 2.529 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000093942325 393806638 /nfs/dbraw/zinc/80/66/38/393806638.db2.gz TXJIJFZPLXDYGY-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094279075 393807869 /nfs/dbraw/zinc/80/78/69/393807869.db2.gz CJDKAQFQHVCDFX-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094279077 393807897 /nfs/dbraw/zinc/80/78/97/393807897.db2.gz CJDKAQFQHVCDFX-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414934690 393808490 /nfs/dbraw/zinc/80/84/90/393808490.db2.gz VIJJSZZPIWGBPX-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000414941982 393808706 /nfs/dbraw/zinc/80/87/06/393808706.db2.gz DEKNQWDCEMHNJU-WRWGMCAJSA-N 2 0 264.335 2.838 20 0 CFADRP CC1CC[NH+]([C@H](CNCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000415078331 393810964 /nfs/dbraw/zinc/81/09/64/393810964.db2.gz GLXIXRFGOHZHOX-CQSZACIVSA-N 2 0 295.496 2.848 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCCOc1ccccc1)CC[NH2+]CC2 ZINC000424295054 393816793 /nfs/dbraw/zinc/81/67/93/393816793.db2.gz QOEAXYINWBATKW-MRXNPFEDSA-N 2 0 288.435 2.920 20 0 CFADRP CC[C@@H](C)C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000339405749 393823332 /nfs/dbraw/zinc/82/33/32/393823332.db2.gz CLEVGNRCUOJOJV-OCCSQVGLSA-N 2 0 281.469 2.909 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000424330760 393831226 /nfs/dbraw/zinc/83/12/26/393831226.db2.gz RCDTVKHRWYPFOO-OPQOLIRYSA-N 2 0 288.435 2.543 20 0 CFADRP CC[C@@H](CO)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000342639073 393867691 /nfs/dbraw/zinc/86/76/91/393867691.db2.gz VVDBHWWUNRJPET-ZWKOTPCHSA-N 2 0 290.451 2.744 20 0 CFADRP CC(C)C[C@@H]([NH3+])CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000107788549 393871065 /nfs/dbraw/zinc/87/10/65/393871065.db2.gz UXAQINPCUMZMTE-QGZVFWFLSA-N 2 0 289.467 2.614 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000246828044 393886161 /nfs/dbraw/zinc/88/61/61/393886161.db2.gz AHDVRNYAGQNZQA-ULQDDVLXSA-N 2 0 283.504 2.674 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459739582 393886864 /nfs/dbraw/zinc/88/68/64/393886864.db2.gz SXBVCDIKLOXGBE-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000246887892 393889170 /nfs/dbraw/zinc/88/91/70/393889170.db2.gz TXJIJFZPLXDYGY-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247119734 393893895 /nfs/dbraw/zinc/89/38/95/393893895.db2.gz PPTBLWQOPOGGHH-RBSFLKMASA-N 2 0 256.434 2.654 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000247219021 393894387 /nfs/dbraw/zinc/89/43/87/393894387.db2.gz XLCJZPSQAHOVRC-IRXDYDNUSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000248162685 393905507 /nfs/dbraw/zinc/90/55/07/393905507.db2.gz SKOMZHMGZDZUAU-ANQUJSFKSA-N 2 0 288.435 2.871 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424364661 393840318 /nfs/dbraw/zinc/84/03/18/393840318.db2.gz DVGRAJVCKNNSBS-SQWLQELKSA-N 2 0 289.423 2.572 20 0 CFADRP CN(C)C1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000097928666 393841720 /nfs/dbraw/zinc/84/17/20/393841720.db2.gz ROCIRZNWJPZTHW-OAHLLOKOSA-N 2 0 278.827 2.881 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424378563 393842052 /nfs/dbraw/zinc/84/20/52/393842052.db2.gz TWICGTZYVQKQTJ-GVDBMIGSSA-N 2 0 294.414 2.633 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471772875 393914090 /nfs/dbraw/zinc/91/40/90/393914090.db2.gz QDZPFHJWQQHURL-JSGCOSHPSA-N 2 0 298.377 2.760 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246259304 393857302 /nfs/dbraw/zinc/85/73/02/393857302.db2.gz UONHBLLTQIAXAP-JYJNAYRXSA-N 2 0 282.472 2.996 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429014555 393933994 /nfs/dbraw/zinc/93/39/94/393933994.db2.gz YZHNXZAURYTFIV-QZTJIDSGSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000121197425 393951652 /nfs/dbraw/zinc/95/16/52/393951652.db2.gz XLLXXSAKUYQUTN-OAHLLOKOSA-N 2 0 298.434 2.865 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474462910 393943849 /nfs/dbraw/zinc/94/38/49/393943849.db2.gz WMDLHZAJXFWEER-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000474468177 393943878 /nfs/dbraw/zinc/94/38/78/393943878.db2.gz DHYYUTPDQDRILQ-FUHWJXTLSA-N 2 0 295.515 2.817 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000258998338 393946599 /nfs/dbraw/zinc/94/65/99/393946599.db2.gz MGGNNFMHGJOZOH-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000417333895 393950063 /nfs/dbraw/zinc/95/00/63/393950063.db2.gz ZMTPWUCBWKLJMA-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000352609579 394016607 /nfs/dbraw/zinc/01/66/07/394016607.db2.gz UUWQMJAYZFWJEU-ZACQAIPSSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000484136807 393968448 /nfs/dbraw/zinc/96/84/48/393968448.db2.gz BHQLIROAZIAQAA-INIZCTEOSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C/C=C\c2ccncc2)c1 ZINC000486936811 393973066 /nfs/dbraw/zinc/97/30/66/393973066.db2.gz NOKCWPIYMMHCLY-DAXSKMNVSA-N 2 0 281.403 2.946 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430573521 393994497 /nfs/dbraw/zinc/99/44/97/393994497.db2.gz RLVWTCPSQYLTHG-HOTGVXAUSA-N 2 0 276.424 2.823 20 0 CFADRP C(CC[NH2+]C[C@@H]1CCSC1)CC[NH+]1CCCCC1 ZINC000487299853 393995202 /nfs/dbraw/zinc/99/52/02/393995202.db2.gz PJDKTCJZNLNTNV-HNNXBMFYSA-N 2 0 270.486 2.985 20 0 CFADRP COc1ccc(OCCC[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430577112 393995591 /nfs/dbraw/zinc/99/55/91/393995591.db2.gz UIRJVQDLERSKQG-KRWDZBQOSA-N 2 0 294.439 2.769 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000124622095 393997276 /nfs/dbraw/zinc/99/72/76/393997276.db2.gz VOZGEBSURPOBHJ-UKRRQHHQSA-N 2 0 262.397 2.785 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCSc1ccccc1 ZINC000124633637 393997296 /nfs/dbraw/zinc/99/72/96/393997296.db2.gz YEOCAACRSNCUQU-CHWSQXEVSA-N 2 0 250.411 2.590 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000487319832 393998345 /nfs/dbraw/zinc/99/83/45/393998345.db2.gz HRHVREGZUNHJLL-CGFBPQRUSA-N 2 0 259.397 2.557 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430623905 393999094 /nfs/dbraw/zinc/99/90/94/393999094.db2.gz NZAXWPUTCSXPEH-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430608130 393999324 /nfs/dbraw/zinc/99/93/24/393999324.db2.gz CJPIIYDNJYBBSW-UHFFFAOYSA-N 2 0 276.424 2.756 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000430637044 394000435 /nfs/dbraw/zinc/00/04/35/394000435.db2.gz ANRIITQJJPEQSX-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n(C)n1 ZINC000417878373 394006070 /nfs/dbraw/zinc/00/60/70/394006070.db2.gz RZDLZACAZGMWGH-HUUCEWRRSA-N 2 0 292.471 2.576 20 0 CFADRP C[C@@H](F)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000352011215 394009642 /nfs/dbraw/zinc/00/96/42/394009642.db2.gz ACGWXJHIQRYBKM-KFWWJZLASA-N 2 0 286.435 2.556 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000353964100 394038676 /nfs/dbraw/zinc/03/86/76/394038676.db2.gz ZKLVIRIOCKMWPE-NEPJUHHUSA-N 2 0 276.346 2.935 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000354310485 394044476 /nfs/dbraw/zinc/04/44/76/394044476.db2.gz CQHXPTSFUUCQMS-TVFCKZIOSA-N 2 0 296.499 2.884 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000354621588 394049372 /nfs/dbraw/zinc/04/93/72/394049372.db2.gz AJAPOYMPZACVLA-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C(C[C@@H]1CCOC1)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437339661 394053697 /nfs/dbraw/zinc/05/36/97/394053697.db2.gz CNBMAOJHRUQIME-NVXWUHKLSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127822307 394056720 /nfs/dbraw/zinc/05/67/20/394056720.db2.gz CUQDFBNJGINZSO-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128306136 394067538 /nfs/dbraw/zinc/06/75/38/394067538.db2.gz MPWMSWGVGXASFE-QGZVFWFLSA-N 2 0 281.488 2.739 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128353531 394068053 /nfs/dbraw/zinc/06/80/53/394068053.db2.gz UCWLXZUOPPRXEW-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP CCSCC[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000355742778 394070851 /nfs/dbraw/zinc/07/08/51/394070851.db2.gz WRQMSWYQCBQYAS-KBPBESRZSA-N 2 0 258.475 2.697 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128473944 394070973 /nfs/dbraw/zinc/07/09/73/394070973.db2.gz YJAPXTPRFBPGSZ-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000437776705 394073549 /nfs/dbraw/zinc/07/35/49/394073549.db2.gz RQNCEXZPLPTTJM-WLYUNCDWSA-N 2 0 289.423 2.572 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000130140358 394103435 /nfs/dbraw/zinc/10/34/35/394103435.db2.gz MYVQTWNRXLIVIC-AEGPPILISA-N 2 0 288.391 2.693 20 0 CFADRP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000420205557 394094592 /nfs/dbraw/zinc/09/45/92/394094592.db2.gz PKMHGRNVKCYJML-SNVBAGLBSA-N 2 0 277.343 2.650 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCCC[C@H]1C)C1(C(=O)OC)CCC1 ZINC000353344341 394029529 /nfs/dbraw/zinc/02/95/29/394029529.db2.gz JAPGXACCUHHUHQ-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP CSC1(C[NH2+][C@H]2CCCC2(C)C)CC[NH+](C)CC1 ZINC000353624864 394033315 /nfs/dbraw/zinc/03/33/15/394033315.db2.gz FDBCCPYLTZRHNB-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](CO)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286005572 394178285 /nfs/dbraw/zinc/17/82/85/394178285.db2.gz IWMIZXKHQAWYTH-ZLPCBKJTSA-N 2 0 290.451 2.648 20 0 CFADRP CC(C)c1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc(C(C)C)n1 ZINC000420269571 394111340 /nfs/dbraw/zinc/11/13/40/394111340.db2.gz UBSJYCHWNMEJHT-MRXNPFEDSA-N 2 0 294.418 2.861 20 0 CFADRP COc1cc(Cl)ccc1CN[C@](C)(C[NH3+])C1CC1 ZINC000420284157 394115575 /nfs/dbraw/zinc/11/55/75/394115575.db2.gz CQXQFZGPMBMUSV-CQSZACIVSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000420309524 394116916 /nfs/dbraw/zinc/11/69/16/394116916.db2.gz UDVNYHSXOMVXQN-RYRKJORJSA-N 2 0 288.435 2.838 20 0 CFADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314067 394117288 /nfs/dbraw/zinc/11/72/88/394117288.db2.gz YPDYJJAAOYRUBU-CWRNSKLLSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccccc2)O1 ZINC000420317137 394117324 /nfs/dbraw/zinc/11/73/24/394117324.db2.gz NGZBDAAISKWEPF-RYRKJORJSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420315067 394117396 /nfs/dbraw/zinc/11/73/96/394117396.db2.gz ZNSGECJNIWFALO-CPUCHLNUSA-N 2 0 292.398 2.587 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000420382097 394117978 /nfs/dbraw/zinc/11/79/78/394117978.db2.gz YDWLMDMOIZMOLG-HNNXBMFYSA-N 2 0 291.439 2.725 20 0 CFADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420383760 394119661 /nfs/dbraw/zinc/11/96/61/394119661.db2.gz ZZGVEHPFBBIHKZ-FRFSOERESA-N 2 0 276.424 2.858 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC(C)(C)C[NH+](C)C ZINC000133862420 394183874 /nfs/dbraw/zinc/18/38/74/394183874.db2.gz NSTWSOLDQHAQGC-ZDUSSCGKSA-N 2 0 266.404 2.934 20 0 CFADRP CCC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000359229560 394128099 /nfs/dbraw/zinc/12/80/99/394128099.db2.gz YBFYJGNLELNJDH-BRWVUGGUSA-N 2 0 294.483 2.902 20 0 CFADRP CCC(C)(C)C1CCC([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000131430759 394132599 /nfs/dbraw/zinc/13/25/99/394132599.db2.gz GNFOJDREIZWNFX-DQPZFDDXSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000359658360 394139611 /nfs/dbraw/zinc/13/96/11/394139611.db2.gz CFQNEBPVDQUHQM-RRCSTGOVSA-N 2 0 295.496 2.669 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000359658361 394139735 /nfs/dbraw/zinc/13/97/35/394139735.db2.gz CFQNEBPVDQUHQM-VDERGJSUSA-N 2 0 295.496 2.669 20 0 CFADRP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000443429257 394143154 /nfs/dbraw/zinc/14/31/54/394143154.db2.gz KQQPXGQPTVTLTQ-LBPRGKRZSA-N 2 0 273.355 2.823 20 0 CFADRP CCC[N@@H+]1Cc2cccc(NC(=O)/C=C/c3ncc[nH]3)c2C1 ZINC000493107523 394149661 /nfs/dbraw/zinc/14/96/61/394149661.db2.gz QDURDEQJPPSJSW-VOTSOKGWSA-N 2 0 296.374 2.787 20 0 CFADRP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@H+]1[C@@H](C)CC[C@@H]1CC ZINC000447307332 394150962 /nfs/dbraw/zinc/15/09/62/394150962.db2.gz VCARWKGXVZCIIO-VIQHNZTISA-N 2 0 282.472 2.873 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000360548619 394154854 /nfs/dbraw/zinc/15/48/54/394154854.db2.gz CVFYOXGVSDKUOO-OAGGEKHMSA-N 2 0 250.430 2.888 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)[C@H](C)C1 ZINC000363787289 394200263 /nfs/dbraw/zinc/20/02/63/394200263.db2.gz UIUDZVMUPUVEAO-RHSMWYFYSA-N 2 0 298.434 2.897 20 0 CFADRP C[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)CC1CCOCC1 ZINC000421366160 394203079 /nfs/dbraw/zinc/20/30/79/394203079.db2.gz BRYOZWWAIKPBCX-OOHWJJMZSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421365442 394203116 /nfs/dbraw/zinc/20/31/16/394203116.db2.gz ANVCYXLDGTYKHD-UHFFFAOYSA-N 2 0 286.423 2.605 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC000421372039 394205912 /nfs/dbraw/zinc/20/59/12/394205912.db2.gz LSJLBINKWADTRV-UHFFFAOYSA-N 2 0 272.396 2.525 20 0 CFADRP Cn1c2ccccc2nc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377617 394209446 /nfs/dbraw/zinc/20/94/46/394209446.db2.gz UCODTQQCGFHPEH-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccncc1F ZINC000449081988 394213923 /nfs/dbraw/zinc/21/39/23/394213923.db2.gz JKURAPWCGIJRPL-CQSZACIVSA-N 2 0 279.403 2.965 20 0 CFADRP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083874 394214121 /nfs/dbraw/zinc/21/41/21/394214121.db2.gz VTYLDKNRQGIZTN-DMRKSPOLSA-N 2 0 282.472 2.900 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](CO)c3ccccc32)CC1 ZINC000364455878 394215866 /nfs/dbraw/zinc/21/58/66/394215866.db2.gz PVYUUTVKIUQYRN-KDOFPFPSSA-N 2 0 288.435 2.671 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)O1 ZINC000364489108 394220537 /nfs/dbraw/zinc/22/05/37/394220537.db2.gz DYDFCUCETSEUBH-INMHGKMJSA-N 2 0 292.467 2.750 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)C1CCC1 ZINC000449225464 394257420 /nfs/dbraw/zinc/25/74/20/394257420.db2.gz TYXVMFWSHDTDOT-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422881080 394257447 /nfs/dbraw/zinc/25/74/47/394257447.db2.gz NKTLLHPKYRQHJG-JKSUJKDBSA-N 3 0 269.477 2.748 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422882111 394257733 /nfs/dbraw/zinc/25/77/33/394257733.db2.gz PAKIYEKUINXFTI-BBWFWOEESA-N 3 0 281.488 2.761 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCC1 ZINC000449156467 394233243 /nfs/dbraw/zinc/23/32/43/394233243.db2.gz DJLDUOCEAGARET-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP C1C[C@H]([C@H]2CCCC[NH2+]2)[C@@H]([NH2+]C2CCSCC2)C1 ZINC000136358090 394233695 /nfs/dbraw/zinc/23/36/95/394233695.db2.gz VRTFFFQDMNSLKN-KFWWJZLASA-N 2 0 268.470 2.782 20 0 CFADRP C[C@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422882641 394258185 /nfs/dbraw/zinc/25/81/85/394258185.db2.gz PIWNVTLNBAXRCA-BDXSIMOUSA-N 2 0 295.515 2.865 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422938704 394258513 /nfs/dbraw/zinc/25/85/13/394258513.db2.gz DZWZEXPEMUVADY-VBNZEHGJSA-N 2 0 296.842 2.615 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000291782675 394258709 /nfs/dbraw/zinc/25/87/09/394258709.db2.gz VAWZYMKXCIKBCT-QWHCGFSZSA-N 2 0 252.377 2.544 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000139005152 394243753 /nfs/dbraw/zinc/24/37/53/394243753.db2.gz XAFSCNDLVKVULS-OAHLLOKOSA-N 2 0 290.455 2.516 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])o2)cs1 ZINC000422933560 394259040 /nfs/dbraw/zinc/25/90/40/394259040.db2.gz BGTFHPSEEWUXPY-WCQYABFASA-N 2 0 291.420 2.929 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCc2cccnc2CC1)C1CC1 ZINC000421854898 394246878 /nfs/dbraw/zinc/24/68/78/394246878.db2.gz LLQLDNMOOTYCAR-INIZCTEOSA-N 2 0 287.451 2.793 20 0 CFADRP C[C@@H](C1C[NH2+]C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000422963494 394259743 /nfs/dbraw/zinc/25/97/43/394259743.db2.gz FZLYZSDPOPWJIY-AWEZNQCLSA-N 2 0 258.409 2.549 20 0 CFADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422706813 394253320 /nfs/dbraw/zinc/25/33/20/394253320.db2.gz GALIEIZXSFNDLM-GVDBMIGSSA-N 2 0 281.488 2.619 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422806676 394255040 /nfs/dbraw/zinc/25/50/40/394255040.db2.gz IVOYEJDNAXNLIH-RDJZCZTQSA-N 2 0 292.467 2.723 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000134176902 394190709 /nfs/dbraw/zinc/19/07/09/394190709.db2.gz UYTYETNSJRMPGU-UHFFFAOYSA-N 2 0 278.444 2.662 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421339248 394191058 /nfs/dbraw/zinc/19/10/58/394191058.db2.gz FWVOJJHREHTZAG-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423016935 394261094 /nfs/dbraw/zinc/26/10/94/394261094.db2.gz UYSKMRUFYFZBLK-APYUEPQZSA-N 2 0 295.858 2.801 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCO[C@H](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423043996 394261906 /nfs/dbraw/zinc/26/19/06/394261906.db2.gz QKTYWPFHPQLYQZ-WCVJEAGWSA-N 2 0 268.445 2.700 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCCCC1 ZINC000423045961 394262129 /nfs/dbraw/zinc/26/21/29/394262129.db2.gz DMXSGOPMMXZHMQ-SOUVJXGZSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c(C)c1 ZINC000151854845 394263355 /nfs/dbraw/zinc/26/33/55/394263355.db2.gz IEMWSHSWAICQTQ-INIZCTEOSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423074238 394264155 /nfs/dbraw/zinc/26/41/55/394264155.db2.gz LFHALNDAIQKZRO-DKIMLUQUSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423077429 394265165 /nfs/dbraw/zinc/26/51/65/394265165.db2.gz MHXMDIFFQGHMTC-VHSSKADRSA-N 2 0 288.435 2.796 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423079781 394265469 /nfs/dbraw/zinc/26/54/69/394265469.db2.gz AVHQFPFJIJLLBN-WDMOLILDSA-N 2 0 270.804 2.743 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423083214 394266001 /nfs/dbraw/zinc/26/60/01/394266001.db2.gz FPLYZXUCFASGMI-HLLBOEOZSA-N 2 0 278.440 2.740 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CC1CCCCC1 ZINC000423086897 394267025 /nfs/dbraw/zinc/26/70/25/394267025.db2.gz MWCMDOHZCFNMPL-ZFWWWQNUSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH+](C)C ZINC000151968890 394267502 /nfs/dbraw/zinc/26/75/02/394267502.db2.gz INMYQOYSSDMDDD-ABAIWWIYSA-N 2 0 250.361 2.600 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H](C)C[C@H](C)[NH3+])c1C ZINC000423089866 394268199 /nfs/dbraw/zinc/26/81/99/394268199.db2.gz TYCCHNATHYTDFP-UONOGXRCSA-N 2 0 264.413 2.788 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423087756 394268883 /nfs/dbraw/zinc/26/88/83/394268883.db2.gz QGWJCSPOBQZOCY-KZNAEPCWSA-N 2 0 287.451 2.833 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093180 394270249 /nfs/dbraw/zinc/27/02/49/394270249.db2.gz GGFASSZSIJMDKG-RYQLBKOJSA-N 2 0 293.499 2.891 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093450 394270573 /nfs/dbraw/zinc/27/05/73/394270573.db2.gz HMRGHBBZDYNTGE-HOCLYGCPSA-N 3 0 267.461 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093179 394270703 /nfs/dbraw/zinc/27/07/03/394270703.db2.gz GGFASSZSIJMDKG-JQHSSLGASA-N 2 0 293.499 2.891 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423143163 394271202 /nfs/dbraw/zinc/27/12/02/394271202.db2.gz CMEOFDKWKXNGEE-QRTARXTBSA-N 2 0 258.409 2.837 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423125605 394271316 /nfs/dbraw/zinc/27/13/16/394271316.db2.gz AKJRFELAMASNSA-RRQGHBQHSA-N 2 0 275.440 2.841 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423124405 394271338 /nfs/dbraw/zinc/27/13/38/394271338.db2.gz GOKVXNIYCGLYMM-OFQRWUPVSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423143160 394271370 /nfs/dbraw/zinc/27/13/70/394271370.db2.gz CMEOFDKWKXNGEE-JLJPHGGASA-N 2 0 258.409 2.837 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423195704 394272782 /nfs/dbraw/zinc/27/27/82/394272782.db2.gz YCDNXPOMEPZWCD-MXWKQRLJSA-N 2 0 252.324 2.695 20 0 CFADRP CC(C)SCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000368483576 394273210 /nfs/dbraw/zinc/27/32/10/394273210.db2.gz PFTYXSUYAYESIS-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2CCCO)C1 ZINC000449387692 394274630 /nfs/dbraw/zinc/27/46/30/394274630.db2.gz MQJRTNKRUSUDFC-ZACQAIPSSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423318318 394277139 /nfs/dbraw/zinc/27/71/39/394277139.db2.gz DPUNYDBXXGHMHQ-XHDPSFHLSA-N 2 0 262.372 2.920 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423347672 394277481 /nfs/dbraw/zinc/27/74/81/394277481.db2.gz RQOPFTOLONXFQU-IIAWOOMASA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000423370717 394278678 /nfs/dbraw/zinc/27/86/78/394278678.db2.gz PSIVCGIWHCHIQJ-MJBXVCDLSA-N 2 0 262.397 2.924 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423374179 394279653 /nfs/dbraw/zinc/27/96/53/394279653.db2.gz HYVDCQMFGYCAOL-DLOVCJGASA-N 2 0 267.442 2.934 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369723821 394281560 /nfs/dbraw/zinc/28/15/60/394281560.db2.gz YECLOXOCXHDQDL-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000423455041 394282493 /nfs/dbraw/zinc/28/24/93/394282493.db2.gz MCZVDCLZMXXGKF-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000423456856 394282839 /nfs/dbraw/zinc/28/28/39/394282839.db2.gz HINYDOPJNFOSJA-PEYYIBSZSA-N 2 0 262.372 2.920 20 0 CFADRP C(C[NH2+]C1C2CC3CC(C2)CC1C3)C[C@H]1CCC[NH2+]1 ZINC000423468531 394282885 /nfs/dbraw/zinc/28/28/85/394282885.db2.gz CCHFXCMUQJEDIP-OBYDGYHJSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423472483 394283965 /nfs/dbraw/zinc/28/39/65/394283965.db2.gz FXJAOKKXEIYNCO-RDTXWAMCSA-N 2 0 283.419 2.625 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cnn1C(C)(C)C ZINC000423508612 394285571 /nfs/dbraw/zinc/28/55/71/394285571.db2.gz NRJYYNILHZSGLD-YUTCNCBUSA-N 2 0 278.444 2.725 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423516924 394288070 /nfs/dbraw/zinc/28/80/70/394288070.db2.gz UFVLQCTYIIKHEB-WBIUFABUSA-N 2 0 278.371 2.539 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423521524 394288976 /nfs/dbraw/zinc/28/89/76/394288976.db2.gz XAVKKQYXNSHYLU-LNSITVRQSA-N 2 0 265.376 2.635 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423530617 394291448 /nfs/dbraw/zinc/29/14/48/394291448.db2.gz RLQNAKWLIUXURM-AWEZNQCLSA-N 2 0 284.407 2.665 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423532860 394292212 /nfs/dbraw/zinc/29/22/12/394292212.db2.gz WBLBUSAPYNFTOB-ZDUSSCGKSA-N 2 0 292.423 2.805 20 0 CFADRP C[N@H+](C[C@H]1CCC(F)(F)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000450429619 394292753 /nfs/dbraw/zinc/29/27/53/394292753.db2.gz MGKCSKGASWJXBI-QWHCGFSZSA-N 2 0 260.372 2.695 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423538881 394293734 /nfs/dbraw/zinc/29/37/34/394293734.db2.gz NZIJTJCMIROHAL-JTQLQIEISA-N 2 0 250.308 2.617 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423537336 394293794 /nfs/dbraw/zinc/29/37/94/394293794.db2.gz JWUJFEQUHXALMG-LPHOPBHVSA-N 2 0 299.462 2.721 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538993 394293813 /nfs/dbraw/zinc/29/38/13/394293813.db2.gz HLOQSIVDUQTMTR-DTZQCDIJSA-N 2 0 276.399 2.734 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539364 394294283 /nfs/dbraw/zinc/29/42/83/394294283.db2.gz IEOBHSLZUAMIAU-UMSGYPCISA-N 2 0 280.437 2.795 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423542374 394294601 /nfs/dbraw/zinc/29/46/01/394294601.db2.gz AUFFBYADOMDPDZ-AETAKHFUSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423549585 394295429 /nfs/dbraw/zinc/29/54/29/394295429.db2.gz HVGVTZKWLITMSP-CQSZACIVSA-N 2 0 261.413 2.525 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC12CCSCC2)[C@@H]1CCC[NH2+]1 ZINC000423548864 394295766 /nfs/dbraw/zinc/29/57/66/394295766.db2.gz MZLSOALDSHDQKI-IHRRRGAJSA-N 2 0 268.470 2.640 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549151 394295775 /nfs/dbraw/zinc/29/57/75/394295775.db2.gz HKQGOXBABXBPTP-GOSISDBHSA-N 2 0 286.419 2.972 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000423566282 394297789 /nfs/dbraw/zinc/29/77/89/394297789.db2.gz TYRAFDYRWWGTEF-HRCADAONSA-N 2 0 296.455 2.620 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000423563923 394297965 /nfs/dbraw/zinc/29/79/65/394297965.db2.gz RSUJNWOZGWTZIY-RUXDESIVSA-N 2 0 256.459 2.640 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371209058 394299433 /nfs/dbraw/zinc/29/94/33/394299433.db2.gz RTQNDWCXOTVKAN-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000450645412 394307516 /nfs/dbraw/zinc/30/75/16/394307516.db2.gz UHAPAYVXBQOARQ-IAGOWNOFSA-N 2 0 289.467 2.533 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493883322 394334841 /nfs/dbraw/zinc/33/48/41/394334841.db2.gz NYGPEATWEKPJSK-UHFFFAOYSA-N 2 0 276.424 2.666 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000155614147 394319362 /nfs/dbraw/zinc/31/93/62/394319362.db2.gz ZEFDKDMSZYKUND-DLBZAZTESA-N 2 0 281.488 2.737 20 0 CFADRP Cc1cccnc1CCCNc1nc(C)nc(C)c1C ZINC000450727572 394328381 /nfs/dbraw/zinc/32/83/81/394328381.db2.gz YQZSCUNMUMJLDU-UHFFFAOYSA-N 2 0 270.380 2.572 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H](C)O ZINC000450761272 394336902 /nfs/dbraw/zinc/33/69/02/394336902.db2.gz QZIWEMDAGFOQIG-JYJNAYRXSA-N 2 0 270.461 2.638 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[C@@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000157360444 394344014 /nfs/dbraw/zinc/34/40/14/394344014.db2.gz KXDWNYXETCEEES-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000157428520 394345119 /nfs/dbraw/zinc/34/51/19/394345119.db2.gz XFAJDZDEPYTOCE-HLLBOEOZSA-N 2 0 281.488 2.569 20 0 CFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)CC(C)C ZINC000451035375 394349469 /nfs/dbraw/zinc/34/94/69/394349469.db2.gz GVTDRQZDISJEDS-QGZVFWFLSA-N 2 0 283.504 2.771 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2sc(C)nc2C)[C@H](C)C1 ZINC000157926194 394352121 /nfs/dbraw/zinc/35/21/21/394352121.db2.gz CIKDFGIKDRABDA-BXUZGUMPSA-N 2 0 281.469 2.622 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000158166644 394355172 /nfs/dbraw/zinc/35/51/72/394355172.db2.gz CTFCYAWSAQTALC-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000158228102 394356402 /nfs/dbraw/zinc/35/64/02/394356402.db2.gz JBKTVSIIMSKZRG-RHSMWYFYSA-N 2 0 290.476 2.948 20 0 CFADRP F[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](F)C3)cc2)C1 ZINC000451198366 394367768 /nfs/dbraw/zinc/36/77/68/394367768.db2.gz PHXHARHZQFAXJE-HZPDHXFCSA-N 2 0 280.362 2.774 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000163390136 394368856 /nfs/dbraw/zinc/36/88/56/394368856.db2.gz YBNLUILTSSOCQN-CJNGLKHVSA-N 2 0 269.392 2.652 20 0 CFADRP c1ccc(C2([NH2+]CC[C@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000518739769 394371517 /nfs/dbraw/zinc/37/15/17/394371517.db2.gz SAEYMIQSXBNZLZ-MRXNPFEDSA-N 2 0 288.435 2.672 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519615352 394372113 /nfs/dbraw/zinc/37/21/13/394372113.db2.gz ZZPSTDIIKSQLTD-WMZOPIPTSA-N 2 0 272.436 2.941 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527633843 394393334 /nfs/dbraw/zinc/39/33/34/394393334.db2.gz XOUDFIDNUXYYQH-KCXAZCMYSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000453386997 394394447 /nfs/dbraw/zinc/39/44/47/394394447.db2.gz AQIZOYXZBZMVGD-BBWFWOEESA-N 2 0 292.467 2.798 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453390068 394394794 /nfs/dbraw/zinc/39/47/94/394394794.db2.gz CVYUAMUBWMVRDC-AEGPPILISA-N 2 0 268.445 2.510 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527646698 394395474 /nfs/dbraw/zinc/39/54/74/394395474.db2.gz WVRPCUGVTMTOPK-VDERGJSUSA-N 2 0 250.430 2.743 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393185 394395511 /nfs/dbraw/zinc/39/55/11/394395511.db2.gz FNWLSTKHAMNZHG-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393848 394395595 /nfs/dbraw/zinc/39/55/95/394395595.db2.gz GNNLKTRMQAAAAS-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527776353 394405924 /nfs/dbraw/zinc/40/59/24/394405924.db2.gz BADHGIMSIWMYCU-OAHLLOKOSA-N 2 0 271.408 2.989 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000685455685 542916744 /nfs/dbraw/zinc/91/67/44/542916744.db2.gz KDSAQNJLOCEGKV-HUUCEWRRSA-N 2 0 297.446 2.955 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529596381 394413404 /nfs/dbraw/zinc/41/34/04/394413404.db2.gz BTGBVRQWJHETBC-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527854102 394417577 /nfs/dbraw/zinc/41/75/77/394417577.db2.gz WDFTUTBJYQTCKI-UKRRQHHQSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000527873494 394419966 /nfs/dbraw/zinc/41/99/66/394419966.db2.gz VCGDXQRHIOABSR-DJIMGWMZSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CC12CC2 ZINC000527892578 394422363 /nfs/dbraw/zinc/42/23/63/394422363.db2.gz KNUYQDRRKBNNCU-KBPBESRZSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OCC ZINC000527932468 394428005 /nfs/dbraw/zinc/42/80/05/394428005.db2.gz MTMLKSVQIOJSJZ-OAHLLOKOSA-N 2 0 256.434 2.654 20 0 CFADRP CCC[C@@H](C[NH2+]C1CC[NH+](CCC)CC1)OCC ZINC000527936126 394428584 /nfs/dbraw/zinc/42/85/84/394428584.db2.gz WFWOHMBMBQUSTB-HNNXBMFYSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)C1 ZINC000527979426 394434819 /nfs/dbraw/zinc/43/48/19/394434819.db2.gz GZZHLIGLQDSSBV-JYDDWQFKSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000528001914 394437477 /nfs/dbraw/zinc/43/74/77/394437477.db2.gz OCFDZMMLLMOQGD-CZUORRHYSA-N 2 0 262.397 2.817 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCN1C1CCCC1 ZINC000528003671 394437583 /nfs/dbraw/zinc/43/75/83/394437583.db2.gz UHAQWTIHJNZKIV-JKSUJKDBSA-N 2 0 278.440 2.552 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530178369 394472526 /nfs/dbraw/zinc/47/25/26/394472526.db2.gz KNKKADRDEHVTFL-QGZVFWFLSA-N 2 0 285.435 2.530 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530217171 394485216 /nfs/dbraw/zinc/48/52/16/394485216.db2.gz SCPWADVBQNHHAC-UTUOFQBUSA-N 2 0 276.346 2.982 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000530218984 394485752 /nfs/dbraw/zinc/48/57/52/394485752.db2.gz OIRZAABMURDUTK-NSHDSACASA-N 2 0 287.329 2.661 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000530218571 394486200 /nfs/dbraw/zinc/48/62/00/394486200.db2.gz CVEGDUYKVJCBGM-LSDHHAIUSA-N 2 0 250.430 2.744 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000530223323 394488486 /nfs/dbraw/zinc/48/84/86/394488486.db2.gz UAHUFOIKTGQKGB-MLGOLLRUSA-N 2 0 289.398 2.875 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccn2)C2CCC2)C1 ZINC000530221834 394488537 /nfs/dbraw/zinc/48/85/37/394488537.db2.gz YODHMTIOPTWQQD-IIAWOOMASA-N 2 0 259.397 2.782 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000530223322 394488969 /nfs/dbraw/zinc/48/89/69/394488969.db2.gz UAHUFOIKTGQKGB-LRDDRELGSA-N 2 0 289.398 2.875 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000530224106 394489399 /nfs/dbraw/zinc/48/93/99/394489399.db2.gz KXYZRIRPSJGHFG-GZIXRCOHSA-N 2 0 294.414 2.818 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000530226901 394491228 /nfs/dbraw/zinc/49/12/28/394491228.db2.gz ZNDIUFFLMDATFE-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000530227753 394492187 /nfs/dbraw/zinc/49/21/87/394492187.db2.gz ZSOPUMCZLAPIPS-HOTGVXAUSA-N 2 0 280.456 2.641 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000530230542 394492214 /nfs/dbraw/zinc/49/22/14/394492214.db2.gz AMVUORLKVHQQHU-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238551 394494545 /nfs/dbraw/zinc/49/45/45/394494545.db2.gz AODLDENFUWWKDA-YJBOKZPZSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[NH2+]C1 ZINC000530242309 394494558 /nfs/dbraw/zinc/49/45/58/394494558.db2.gz BUCHSJDVPMKUMA-CABCVRRESA-N 2 0 264.800 2.917 20 0 CFADRP Cc1ccsc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249272 394496631 /nfs/dbraw/zinc/49/66/31/394496631.db2.gz UNAJDIUAOHXIQI-HNNXBMFYSA-N 2 0 294.464 2.647 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000536839037 394573003 /nfs/dbraw/zinc/57/30/03/394573003.db2.gz MZSQSQWILNPUPN-SQWLQELKSA-N 2 0 268.445 2.654 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537346176 394580440 /nfs/dbraw/zinc/58/04/40/394580440.db2.gz XLIZUKNZPFXFDN-UHFFFAOYSA-N 2 0 297.402 2.595 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000530549493 394528104 /nfs/dbraw/zinc/52/81/04/394528104.db2.gz IPDHYNPYPMYFCY-GOSISDBHSA-N 2 0 296.499 2.980 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000539053967 394620580 /nfs/dbraw/zinc/62/05/80/394620580.db2.gz JXOABVMOGISTET-WMLDXEAASA-N 2 0 290.451 2.903 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000539065961 394621321 /nfs/dbraw/zinc/62/13/21/394621321.db2.gz QMNXURCNCNOGTI-LZWOXQAQSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@H](C)C1 ZINC000539074114 394622257 /nfs/dbraw/zinc/62/22/57/394622257.db2.gz UVSJXHVGDSBFPV-KDOFPFPSSA-N 2 0 272.436 2.721 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000539651944 394629899 /nfs/dbraw/zinc/62/98/99/394629899.db2.gz ZYCCZNWEDHRIEH-GOEBONIOSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000540744228 394652499 /nfs/dbraw/zinc/65/24/99/394652499.db2.gz CTXKDFSGBBVYKU-YOEHRIQHSA-N 2 0 275.440 2.809 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000544357652 394756638 /nfs/dbraw/zinc/75/66/38/394756638.db2.gz VWCHIVDADNQSRV-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000547503375 394872110 /nfs/dbraw/zinc/87/21/10/394872110.db2.gz SFWRTXYSFKUGHP-UHFFFAOYSA-N 2 0 261.413 2.947 20 0 CFADRP CC(C)[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504372 394872154 /nfs/dbraw/zinc/87/21/54/394872154.db2.gz BRQCZXLNSDYAPB-CGTJXYLNSA-N 2 0 290.451 2.504 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000166004907 542943239 /nfs/dbraw/zinc/94/32/39/542943239.db2.gz VCBSTMYGFZFSRU-NVXWUHKLSA-N 2 0 294.414 2.759 20 0 CFADRP CC(C)(C)c1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000685838997 542949325 /nfs/dbraw/zinc/94/93/25/542949325.db2.gz DXRRZPFVBLAYGM-HOTGVXAUSA-N 2 0 272.436 2.678 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cc[nH+]c3c(O)cccc23)C[N@@H+]1C1CC1 ZINC000685909830 542956527 /nfs/dbraw/zinc/95/65/27/542956527.db2.gz FZZXROHVONNUOK-VXGBXAGGSA-N 2 0 283.375 2.978 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccccc23)C[N@@H+]1C1CC1 ZINC000685909915 542956818 /nfs/dbraw/zinc/95/68/18/542956818.db2.gz KFZDKWOWJJMWAK-CHWSQXEVSA-N 2 0 267.376 2.694 20 0 CFADRP COCC1([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483940 394934808 /nfs/dbraw/zinc/93/48/08/394934808.db2.gz HQGXNXKNIMQVCB-DOTOQJQBSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)sc1C ZINC000166864022 542967646 /nfs/dbraw/zinc/96/76/46/542967646.db2.gz CYVNGDOCOBGNSY-UONOGXRCSA-N 2 0 279.453 2.519 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC1CCCCC1 ZINC000555880898 394985071 /nfs/dbraw/zinc/98/50/71/394985071.db2.gz ZAWGXKGLYNSTME-DLBZAZTESA-N 2 0 282.472 2.734 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000556078085 394989212 /nfs/dbraw/zinc/98/92/12/394989212.db2.gz ODTLODAABPAYCJ-QZTJIDSGSA-N 2 0 290.451 2.799 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000556149608 394992250 /nfs/dbraw/zinc/99/22/50/394992250.db2.gz KOZGMFDKUNYJHA-ZDUSSCGKSA-N 2 0 250.386 2.532 20 0 CFADRP COCC1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000556223458 394995244 /nfs/dbraw/zinc/99/52/44/394995244.db2.gz HBIUYUQEECLMDA-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000556782348 395014467 /nfs/dbraw/zinc/01/44/67/395014467.db2.gz IQZUWSOEUDKCTK-LSDHHAIUSA-N 2 0 264.413 2.922 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1cccc(-n2cccn2)c1 ZINC000554884178 394962181 /nfs/dbraw/zinc/96/21/81/394962181.db2.gz MDJKULUNMDCLRB-UHFFFAOYSA-N 2 0 286.423 2.646 20 0 CFADRP CCn1c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nc2ccccc21 ZINC000556943004 395026246 /nfs/dbraw/zinc/02/62/46/395026246.db2.gz JEOJYQLBYUTCMF-KGLIPLIRSA-N 2 0 286.423 2.663 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000558151880 395053280 /nfs/dbraw/zinc/05/32/80/395053280.db2.gz DIJXFCDSSHLGDU-IXDOHACOSA-N 2 0 283.504 2.674 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000558242016 395055880 /nfs/dbraw/zinc/05/58/80/395055880.db2.gz WQXZMORCRNEKAS-IXDOHACOSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000558260947 395056448 /nfs/dbraw/zinc/05/64/48/395056448.db2.gz YXLICGUKQLWHDW-HLLBOEOZSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)N1CCC(C)CC1 ZINC000558696808 395071691 /nfs/dbraw/zinc/07/16/91/395071691.db2.gz FKOZVZVHDHQHIK-JONQDZQNSA-N 2 0 250.430 2.885 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000178413370 543001867 /nfs/dbraw/zinc/00/18/67/543001867.db2.gz LHNGVXRPCRFNRS-MRXNPFEDSA-N 2 0 262.372 2.889 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)CCO1 ZINC000648461122 395153122 /nfs/dbraw/zinc/15/31/22/395153122.db2.gz OANUOBIRQPZYNU-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000180230310 543011722 /nfs/dbraw/zinc/01/17/22/543011722.db2.gz BIPKADVRDFFBRB-HNNXBMFYSA-N 2 0 260.425 2.848 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000647170348 395195940 /nfs/dbraw/zinc/19/59/40/395195940.db2.gz WZYRLXJOCYKSQI-YOEHRIQHSA-N 2 0 274.408 2.549 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000647190081 395213263 /nfs/dbraw/zinc/21/32/63/395213263.db2.gz HGWUDNVXTGLHKH-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccncc1 ZINC000647304340 395281153 /nfs/dbraw/zinc/28/11/53/395281153.db2.gz HRBXDLHGUPNMIU-ZBFHGGJFSA-N 2 0 263.429 2.956 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H](C)C1 ZINC000648817844 395325276 /nfs/dbraw/zinc/32/52/76/395325276.db2.gz DOLOFRQIQQFWHA-BLYZHGLHSA-N 2 0 290.398 2.857 20 0 CFADRP CC[C@](C)(C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)OC ZINC000648725734 395285977 /nfs/dbraw/zinc/28/59/77/395285977.db2.gz UKGJYOLMVBEINE-QGZVFWFLSA-N 2 0 294.439 2.532 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000648753074 395297731 /nfs/dbraw/zinc/29/77/31/395297731.db2.gz RQPOXYSCJBNRTN-UHFFFAOYSA-N 2 0 281.469 2.842 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343975 395306325 /nfs/dbraw/zinc/30/63/25/395306325.db2.gz GVLCMHPBICRTGV-UAGQMJEPSA-N 2 0 290.451 2.735 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]C2CCSCC2)[C@H](c2ccccc2)C1 ZINC000647248688 395256096 /nfs/dbraw/zinc/25/60/96/395256096.db2.gz RRTYRPVLEMTAHL-WBVHZDCISA-N 2 0 290.476 2.817 20 0 CFADRP FC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000647252803 395259087 /nfs/dbraw/zinc/25/90/87/395259087.db2.gz WFMAIHARTCPGLG-NEXFUWMNSA-N 2 0 254.393 2.731 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000647491734 395358361 /nfs/dbraw/zinc/35/83/61/395358361.db2.gz HZXIEVZTPXSKRD-LLVKDONJSA-N 2 0 279.453 2.581 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000647491857 395358658 /nfs/dbraw/zinc/35/86/58/395358658.db2.gz UQEGNMNIMZYIFY-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP CC1([NH3+])CC[NH+](CCCCOc2ccccc2)CC1 ZINC000647530982 395374860 /nfs/dbraw/zinc/37/48/60/395374860.db2.gz TVPNJCPYNLMRFB-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000647531484 395376372 /nfs/dbraw/zinc/37/63/72/395376372.db2.gz ZUVULOPSANZWHT-UHFFFAOYSA-N 2 0 255.365 2.548 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543495 395384409 /nfs/dbraw/zinc/38/44/09/395384409.db2.gz OKJCJRCBXREPGV-UONOGXRCSA-N 2 0 279.453 2.663 20 0 CFADRP c1cc2cc(C[NH+]3CCC4(CC[NH2+]C4)CC3)ccc2cn1 ZINC000647542430 395384504 /nfs/dbraw/zinc/38/45/04/395384504.db2.gz HVHHDJGMBMMGHW-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543512 395384714 /nfs/dbraw/zinc/38/47/14/395384714.db2.gz OMJMUIZDVPTDRM-SJORKVTESA-N 2 0 288.435 2.907 20 0 CFADRP c1cc2cnccc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000647544516 395385563 /nfs/dbraw/zinc/38/55/63/395385563.db2.gz DZSDUEXIGJOJRL-GASCZTMLSA-N 2 0 281.403 2.666 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c1)NCC2 ZINC000647543837 395385756 /nfs/dbraw/zinc/38/57/56/395385756.db2.gz STQKVKHSQMRSBP-DLBZAZTESA-N 2 0 299.462 2.866 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(C)(C)C ZINC000647545803 395386070 /nfs/dbraw/zinc/38/60/70/395386070.db2.gz XCNGKDBEEDGMGJ-ILXRZTDVSA-N 2 0 252.446 2.990 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000647545478 395386360 /nfs/dbraw/zinc/38/63/60/395386360.db2.gz RPJSOQJIWSOCBK-JKSUJKDBSA-N 2 0 294.483 2.890 20 0 CFADRP Cc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C[NH+](C)C)c1 ZINC000647548154 395387182 /nfs/dbraw/zinc/38/71/82/395387182.db2.gz WVMBVQNUXAWEBI-HLLBOEOZSA-N 2 0 287.451 2.857 20 0 CFADRP Fc1cccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647548735 395388231 /nfs/dbraw/zinc/38/82/31/395388231.db2.gz SCLKQZULXXFRCH-ZMSDIMECSA-N 2 0 276.399 2.736 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549887 395389142 /nfs/dbraw/zinc/38/91/42/395389142.db2.gz WMEGMORBQQHECV-GVDBMIGSSA-N 2 0 272.436 2.824 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647550376 395389200 /nfs/dbraw/zinc/38/92/00/395389200.db2.gz NLKIMIFWOBUBPD-WRQOLXDDSA-N 2 0 294.483 2.805 20 0 CFADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647550143 395389391 /nfs/dbraw/zinc/38/93/91/395389391.db2.gz BUEUCPASUQCNFQ-VNHYZAJKSA-N 2 0 294.826 2.697 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1C1CCCCC1 ZINC000647551109 395390296 /nfs/dbraw/zinc/39/02/96/395390296.db2.gz YCIMQLAZYVWUNR-MTSZKFMLSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000647552674 395390781 /nfs/dbraw/zinc/39/07/81/395390781.db2.gz QKFLTZBFVVXXKX-DOTOQJQBSA-N 2 0 287.451 2.990 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553191 395391693 /nfs/dbraw/zinc/39/16/93/395391693.db2.gz HRUFSIZBIAXWGJ-CQSZACIVSA-N 2 0 284.403 2.875 20 0 CFADRP COc1ccccc1C1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000647552980 395391889 /nfs/dbraw/zinc/39/18/89/395391889.db2.gz IIUJEBPEESYUBU-UONOGXRCSA-N 2 0 274.408 2.662 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000647553271 395392321 /nfs/dbraw/zinc/39/23/21/395392321.db2.gz NYHGZRWWEIVEPL-UHFFFAOYSA-N 2 0 288.435 2.974 20 0 CFADRP c1ccc(CC[C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647876113 395449093 /nfs/dbraw/zinc/44/90/93/395449093.db2.gz QDQHTISPWGLJDM-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647873382 395449365 /nfs/dbraw/zinc/44/93/65/395449365.db2.gz CHOSIJXBEVJNCF-PBHICJAKSA-N 2 0 274.408 2.832 20 0 CFADRP c1ccc(C[N@H+](CC2CCC2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647882136 395451292 /nfs/dbraw/zinc/45/12/92/395451292.db2.gz NZWPYQHTKJGPAV-KRWDZBQOSA-N 2 0 258.409 2.898 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647889502 395453530 /nfs/dbraw/zinc/45/35/30/395453530.db2.gz YVLMOSCQNCCLLT-IRXDYDNUSA-N 2 0 260.425 2.857 20 0 CFADRP CC1([NH3+])CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000647927051 395459479 /nfs/dbraw/zinc/45/94/79/395459479.db2.gz XRYGQPXPYXIESE-UHFFFAOYSA-N 2 0 282.815 2.922 20 0 CFADRP CCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245846 395460188 /nfs/dbraw/zinc/46/01/88/395460188.db2.gz KSIZPJBDIAFECZ-QGZVFWFLSA-N 2 0 282.472 2.735 20 0 CFADRP FC(F)(F)c1ccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647949270 395463341 /nfs/dbraw/zinc/46/33/41/395463341.db2.gz NNNBNSIUOBGFMN-OKILXGFUSA-N 2 0 298.352 2.789 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647992276 395474435 /nfs/dbraw/zinc/47/44/35/395474435.db2.gz ZNITWCSISOLLGZ-IAGOWNOFSA-N 2 0 282.472 2.950 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000647995291 395474801 /nfs/dbraw/zinc/47/48/01/395474801.db2.gz MLLYUMPKCKZOCO-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccccc1C1([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000647995187 395474864 /nfs/dbraw/zinc/47/48/64/395474864.db2.gz DBHXGHGTNHVJSJ-HNNXBMFYSA-N 2 0 258.409 2.963 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000647970056 395470683 /nfs/dbraw/zinc/47/06/83/395470683.db2.gz AEEUZDHBXWHFRJ-NVXWUHKLSA-N 2 0 292.467 2.643 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978118 395471371 /nfs/dbraw/zinc/47/13/71/395471371.db2.gz MZMCFVICOREAKS-IRXDYDNUSA-N 2 0 282.472 2.761 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647978561 395471806 /nfs/dbraw/zinc/47/18/06/395471806.db2.gz UWODXWQQIKWPFJ-FUHWJXTLSA-N 2 0 287.451 2.910 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786501 395428005 /nfs/dbraw/zinc/42/80/05/395428005.db2.gz QVXAOKHCEOQRPQ-VNQPRFMTSA-N 2 0 274.408 2.563 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786357 395428036 /nfs/dbraw/zinc/42/80/36/395428036.db2.gz NNDRKBOMVHTZKL-YESZJQIVSA-N 2 0 288.435 2.524 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC(C)C ZINC000647787959 395428827 /nfs/dbraw/zinc/42/88/27/395428827.db2.gz BEBWIELRSOUFPC-XDNAFOTISA-N 2 0 295.515 2.721 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791435 395429490 /nfs/dbraw/zinc/42/94/90/395429490.db2.gz CWMYQDZYCOAVMD-RKTXRCNFSA-N 2 0 288.435 2.604 20 0 CFADRP Fc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647791688 395429837 /nfs/dbraw/zinc/42/98/37/395429837.db2.gz KHSMZRFCBBARDY-DVOMOZLQSA-N 2 0 274.383 2.793 20 0 CFADRP CC(C)c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647790117 395429943 /nfs/dbraw/zinc/42/99/43/395429943.db2.gz RMEJTVYJHVICRR-FRRDWIJNSA-N 2 0 279.453 2.744 20 0 CFADRP Fc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(F)c1F ZINC000647793687 395430198 /nfs/dbraw/zinc/43/01/98/395430198.db2.gz FJKLOXDDYHOMBN-FRRDWIJNSA-N 2 0 298.352 2.624 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647794067 395431443 /nfs/dbraw/zinc/43/14/43/395431443.db2.gz PZUTUMQNTJVOMG-ILOCAZANSA-N 2 0 294.483 2.948 20 0 CFADRP c1cc2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2[nH]1 ZINC000647796502 395432074 /nfs/dbraw/zinc/43/20/74/395432074.db2.gz BGOPZANSPBEURY-IXDOHACOSA-N 2 0 283.419 2.688 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795912 395432167 /nfs/dbraw/zinc/43/21/67/395432167.db2.gz ZJIMTXGQSJXNSJ-XQHKEYJVSA-N 2 0 278.362 2.941 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796738 395432650 /nfs/dbraw/zinc/43/26/50/395432650.db2.gz LTVPZRRZSMODQY-ARFHVFGLSA-N 2 0 276.399 2.736 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798067 395433016 /nfs/dbraw/zinc/43/30/16/395433016.db2.gz KNZFLYATDCHNSN-RBGFHDKUSA-N 2 0 250.430 2.790 20 0 CFADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000647799767 395433441 /nfs/dbraw/zinc/43/34/41/395433441.db2.gz QFTSMMYYSQMVBX-QKGCVVFFSA-N 2 0 254.393 2.777 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[C@H]1C1CC1 ZINC000647799884 395433542 /nfs/dbraw/zinc/43/35/42/395433542.db2.gz RZMZLLQCZXBUQX-HHARLNAUSA-N 2 0 262.441 2.790 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1(C2CCC2)CCC1 ZINC000647799428 395433566 /nfs/dbraw/zinc/43/35/66/395433566.db2.gz GKKOPZWKNFJJQX-IIAWOOMASA-N 2 0 262.441 2.935 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000647803317 395435936 /nfs/dbraw/zinc/43/59/36/395435936.db2.gz USSLCDFLSFPHCF-IXDOHACOSA-N 2 0 286.419 2.583 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000649508940 395513776 /nfs/dbraw/zinc/51/37/76/395513776.db2.gz JTDCHKHPEJRCHB-QZTJIDSGSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCCO)C2)s1 ZINC000649603950 395537132 /nfs/dbraw/zinc/53/71/32/395537132.db2.gz KGQUEQARGWAELA-HNNXBMFYSA-N 2 0 296.480 2.583 20 0 CFADRP Cc1ccccc1-n1cc(CN(C)CCC[NH+](C)C)cn1 ZINC000648034929 395486361 /nfs/dbraw/zinc/48/63/61/395486361.db2.gz LMJQAKOBMYCVLD-UHFFFAOYSA-N 2 0 286.423 2.564 20 0 CFADRP CC(C)(C)CC[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411777 395489027 /nfs/dbraw/zinc/48/90/27/395489027.db2.gz AYVGLVKCZHRHCO-UHFFFAOYSA-N 2 0 295.515 2.820 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411620 395489284 /nfs/dbraw/zinc/48/92/84/395489284.db2.gz LUIVTQPDWUGNEI-UHFFFAOYSA-N 3 0 295.515 2.820 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649418191 395490565 /nfs/dbraw/zinc/49/05/65/395490565.db2.gz FSODRFYDSJIHIL-ZIAGYGMSSA-N 2 0 293.842 2.947 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037209659 543027587 /nfs/dbraw/zinc/02/75/87/543027587.db2.gz SBQBBWZPXAFSQT-HOTGVXAUSA-N 3 0 283.504 2.817 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037221274 543027785 /nfs/dbraw/zinc/02/77/85/543027785.db2.gz XCKMXDKZYYFYGK-ZIAGYGMSSA-N 2 0 264.413 2.921 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000037413532 543029569 /nfs/dbraw/zinc/02/95/69/543029569.db2.gz OPZDZGNSMFTTTR-STQMWFEESA-N 2 0 290.407 2.796 20 0 CFADRP CC[C@H]1C[N@H+](CCCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309850662 413081538 /nfs/dbraw/zinc/08/15/38/413081538.db2.gz JIEISBFASLGPMI-IRXDYDNUSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1Cl)C2 ZINC000311026855 413087634 /nfs/dbraw/zinc/08/76/34/413087634.db2.gz RYSDWAJXASBTOC-ZFWWWQNUSA-N 2 0 264.800 2.901 20 0 CFADRP c1ccc(C2CC2)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000311580894 413089055 /nfs/dbraw/zinc/08/90/55/413089055.db2.gz HVYKVLALZHCPIY-QGZVFWFLSA-N 2 0 256.393 2.749 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC000312680224 413093815 /nfs/dbraw/zinc/09/38/15/413093815.db2.gz CYEOSMNKSBKAJO-JKSUJKDBSA-N 2 0 284.488 2.836 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336786322 292076803 /nfs/dbraw/zinc/07/68/03/292076803.db2.gz HOWQYGHJGRKTFE-GFCCVEGCSA-N 2 0 256.434 2.652 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000314460124 413099167 /nfs/dbraw/zinc/09/91/67/413099167.db2.gz YQFQTRPUOQUNLG-MPGHIAIKSA-N 2 0 286.419 2.614 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC2CCC1CC2 ZINC000401037719 413160654 /nfs/dbraw/zinc/16/06/54/413160654.db2.gz NQUSJIWKGMGQAT-BUJBZJTQSA-N 2 0 262.441 2.790 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401143613 413161017 /nfs/dbraw/zinc/16/10/17/413161017.db2.gz NICYQGPKVCIJGM-HZSPNIEDSA-N 2 0 296.361 2.766 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401043895 413159364 /nfs/dbraw/zinc/15/93/64/413159364.db2.gz UZEFXVDATUJZRU-DGADGQDISA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC000401150143 413163015 /nfs/dbraw/zinc/16/30/15/413163015.db2.gz PFOLQBMCOGYEDI-WHOHXGKFSA-N 2 0 264.335 2.553 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cs1 ZINC000394512933 397549498 /nfs/dbraw/zinc/54/94/98/397549498.db2.gz OODKGRXEZVKMFZ-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036992857 397544154 /nfs/dbraw/zinc/54/41/54/397544154.db2.gz ACJVTCSAJODATF-RLAWYHOSSA-N 2 0 264.438 2.894 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759086 397885271 /nfs/dbraw/zinc/88/52/71/397885271.db2.gz CPEAHJNDVRTTMF-ULQDDVLXSA-N 2 0 287.451 2.911 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000650758294 397885308 /nfs/dbraw/zinc/88/53/08/397885308.db2.gz MXPLGQYIZHNCJJ-GFCCVEGCSA-N 2 0 284.407 2.664 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759084 397885513 /nfs/dbraw/zinc/88/55/13/397885513.db2.gz CPEAHJNDVRTTMF-BBWFWOEESA-N 2 0 287.451 2.911 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)N2 ZINC000650759840 397886086 /nfs/dbraw/zinc/88/60/86/397886086.db2.gz QYMAXIWQOSTZJS-VPSFDDGASA-N 2 0 285.435 2.676 20 0 CFADRP c1cc2c(c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)c1)CCC2 ZINC000650703565 397859458 /nfs/dbraw/zinc/85/94/58/397859458.db2.gz GQVNSWIGUVBKBN-KRWDZBQOSA-N 2 0 284.447 2.997 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703907 397860009 /nfs/dbraw/zinc/86/00/09/397860009.db2.gz XKBMEQOOVDBCSZ-INIZCTEOSA-N 2 0 258.409 2.653 20 0 CFADRP COCC[NH2+]C1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC000650705568 397860822 /nfs/dbraw/zinc/86/08/22/397860822.db2.gz LPVPEYMCJVOTSC-UHFFFAOYSA-N 2 0 290.451 2.812 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000650763170 397887812 /nfs/dbraw/zinc/88/78/12/397887812.db2.gz SYOJPAZNKHSXFX-CYBMUJFWSA-N 2 0 292.471 2.987 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763426 397887841 /nfs/dbraw/zinc/88/78/41/397887841.db2.gz ZYPPKPWSFRLNHC-INIZCTEOSA-N 2 0 280.362 2.931 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000650708820 397861837 /nfs/dbraw/zinc/86/18/37/397861837.db2.gz OJONOOBYVNHQOW-IRXDYDNUSA-N 2 0 276.399 2.789 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707773 397861878 /nfs/dbraw/zinc/86/18/78/397861878.db2.gz MXOJKUYYWMONBG-KKUMJFAQSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708843 397861898 /nfs/dbraw/zinc/86/18/98/397861898.db2.gz QHWYCXSKGNRVRO-LUKYLMHMSA-N 2 0 282.472 2.887 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cnn1C(C)C ZINC000650763230 397887892 /nfs/dbraw/zinc/88/78/92/397887892.db2.gz VMEDICFFDKELEP-CYBMUJFWSA-N 2 0 278.444 2.813 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000650711124 397863700 /nfs/dbraw/zinc/86/37/00/397863700.db2.gz JHURQSQJEDKJIE-WCQYABFASA-N 2 0 267.442 2.655 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000650712690 397864918 /nfs/dbraw/zinc/86/49/18/397864918.db2.gz PUXBHKXHDVGCCJ-UHFFFAOYSA-N 2 0 288.313 2.804 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000650712098 397865041 /nfs/dbraw/zinc/86/50/41/397865041.db2.gz QLWKGNXKYGVZOV-UHFFFAOYSA-N 2 0 288.313 2.804 20 0 CFADRP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1OC(C)C ZINC000650712261 397865126 /nfs/dbraw/zinc/86/51/26/397865126.db2.gz XVYDOQHTKCSIKI-UHFFFAOYSA-N 2 0 292.423 2.701 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713614 397865412 /nfs/dbraw/zinc/86/54/12/397865412.db2.gz XPUOUQUAKFXQTO-WBVHZDCISA-N 3 0 293.499 2.748 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713773 397865667 /nfs/dbraw/zinc/86/56/67/397865667.db2.gz BFOMLKJQRYXOHL-ZDUSSCGKSA-N 2 0 264.388 2.865 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCC3(C[NH3+])CC3)ccc2n1 ZINC000650714095 397865872 /nfs/dbraw/zinc/86/58/72/397865872.db2.gz RBJDGGLUQNSPTL-UHFFFAOYSA-N 2 0 269.392 2.762 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717643 397867574 /nfs/dbraw/zinc/86/75/74/397867574.db2.gz IDXQVAMLVZCDRH-RISCZKNCSA-N 2 0 250.361 2.953 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000650718256 397868298 /nfs/dbraw/zinc/86/82/98/397868298.db2.gz DZHNICYCVLYYMG-UHFFFAOYSA-N 2 0 286.423 2.716 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650718818 397868357 /nfs/dbraw/zinc/86/83/57/397868357.db2.gz XBVSXMAVRZQWNS-UHFFFAOYSA-N 2 0 274.339 2.583 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763808 397888462 /nfs/dbraw/zinc/88/84/62/397888462.db2.gz JZJMXNYSZAUSMM-MRXNPFEDSA-N 2 0 262.372 2.792 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764466 397888549 /nfs/dbraw/zinc/88/85/49/397888549.db2.gz ZMYBAIQCHMCGEB-OAHLLOKOSA-N 2 0 260.425 2.905 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000650764237 397888551 /nfs/dbraw/zinc/88/85/51/397888551.db2.gz UBAGIQNETJYHBA-ZDUSSCGKSA-N 2 0 292.423 2.744 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000650721696 397870451 /nfs/dbraw/zinc/87/04/51/397870451.db2.gz ZDAKZBLCXJFNRM-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650721153 397870508 /nfs/dbraw/zinc/87/05/08/397870508.db2.gz SJTOQELBXCDQJV-HYVNUMGLSA-N 2 0 287.451 2.924 20 0 CFADRP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724223 397871280 /nfs/dbraw/zinc/87/12/80/397871280.db2.gz AGWRRMAMHNAMTF-GUYCJALGSA-N 2 0 276.399 2.787 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723163 397871337 /nfs/dbraw/zinc/87/13/37/397871337.db2.gz IDXYNEQUGQWFTO-ZNMIVQPWSA-N 2 0 268.445 2.783 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC)cc1 ZINC000650742744 397876623 /nfs/dbraw/zinc/87/66/23/397876623.db2.gz CSGTUZYKSUPDNX-OAHLLOKOSA-N 2 0 262.397 2.865 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000650742436 397876851 /nfs/dbraw/zinc/87/68/51/397876851.db2.gz YABXRNMYPQVIMD-HOTGVXAUSA-N 2 0 267.461 2.501 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650743528 397877462 /nfs/dbraw/zinc/87/74/62/397877462.db2.gz VRDVQDFIJLFLLO-CYBMUJFWSA-N 2 0 262.397 2.865 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)cc(F)c1 ZINC000650743596 397877537 /nfs/dbraw/zinc/87/75/37/397877537.db2.gz XGSUTNVNSPTLAI-JTQLQIEISA-N 2 0 254.324 2.744 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)[C@H]1OC ZINC000650745204 397878888 /nfs/dbraw/zinc/87/88/88/397878888.db2.gz BQBCPYRUCXXFJR-BFHYXJOUSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747332 397880342 /nfs/dbraw/zinc/88/03/42/397880342.db2.gz XNBIZBOTBXMLCU-QGZVFWFLSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747659 397880434 /nfs/dbraw/zinc/88/04/34/397880434.db2.gz FJPNTZBTRWRDHZ-CQSZACIVSA-N 2 0 261.413 2.511 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(-c2ccccc2)nn1C ZINC000650748389 397880826 /nfs/dbraw/zinc/88/08/26/397880826.db2.gz SYOMHONDYUTBNM-AWEZNQCLSA-N 2 0 298.434 2.867 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753383 397882457 /nfs/dbraw/zinc/88/24/57/397882457.db2.gz MHLPCCBNSDNZET-DOMZBBRYSA-N 2 0 250.361 2.953 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccncc1 ZINC000650753532 397883600 /nfs/dbraw/zinc/88/36/00/397883600.db2.gz PKHJZSGBMZERNH-LLVKDONJSA-N 2 0 259.328 2.530 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650754466 397883824 /nfs/dbraw/zinc/88/38/24/397883824.db2.gz JTRKTQDKVPOVKK-HOTGVXAUSA-N 2 0 294.414 2.966 20 0 CFADRP CC[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@H](CC)CO1 ZINC000403888106 413181752 /nfs/dbraw/zinc/18/17/52/413181752.db2.gz WARFZFVRRXXXOD-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP COC1([C@H](C)[NH2+]CCCC[NH+](C)C)CCCCC1 ZINC000421825080 292145438 /nfs/dbraw/zinc/14/54/38/292145438.db2.gz LPJSZXRZXMDCOW-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404287042 413192583 /nfs/dbraw/zinc/19/25/83/413192583.db2.gz INGGHTVSKZEPBG-IUODEOHRSA-N 2 0 250.361 2.775 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000359002448 292153727 /nfs/dbraw/zinc/15/37/27/292153727.db2.gz OWBUZQQIHUPMBT-HGHNZHKBSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2ccccc2)[C@H]1CC[NH3+] ZINC000404395463 413203139 /nfs/dbraw/zinc/20/31/39/413203139.db2.gz OGCQSUGLQJTSIH-HOCLYGCPSA-N 2 0 262.397 2.515 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356188462 155179798 /nfs/dbraw/zinc/17/97/98/155179798.db2.gz FAAHBGAAGMZLAE-UHFFFAOYSA-N 2 0 284.806 2.953 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCCC1 ZINC000340467609 286009297 /nfs/dbraw/zinc/00/92/97/286009297.db2.gz VTXQNWHXGOUUTG-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCCF)CC1 ZINC000663463949 413219261 /nfs/dbraw/zinc/21/92/61/413219261.db2.gz OTVPSFOFCICJAP-HOCLYGCPSA-N 2 0 286.435 2.605 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467126 413222474 /nfs/dbraw/zinc/22/24/74/413222474.db2.gz CURWVFJUGOOUFV-MAUKXSAKSA-N 2 0 294.483 2.903 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466125 413223286 /nfs/dbraw/zinc/22/32/86/413223286.db2.gz OJDIEZXRRZAMLU-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]1C ZINC000663464891 413222576 /nfs/dbraw/zinc/22/25/76/413222576.db2.gz GQWNIGZCRNNHAX-VDERGJSUSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467591 413225525 /nfs/dbraw/zinc/22/55/25/413225525.db2.gz GWIQIJOVWPKIFN-GDBMZVCRSA-N 2 0 280.456 2.513 20 0 CFADRP CCOCCC1(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000415083863 286047789 /nfs/dbraw/zinc/04/77/89/286047789.db2.gz FXJWLHIZBWJYGI-CVEARBPZSA-N 2 0 282.472 2.951 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000415086290 286048917 /nfs/dbraw/zinc/04/89/17/286048917.db2.gz JKPBIUOLPZLWFY-OAHLLOKOSA-N 2 0 268.445 2.705 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C3CCC3)CC2)CC[NH2+]1 ZINC000656787581 413227805 /nfs/dbraw/zinc/22/78/05/413227805.db2.gz NWKOBSHVWQUDIO-KGLIPLIRSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663469837 413229715 /nfs/dbraw/zinc/22/97/15/413229715.db2.gz RBGLVALJBVYEJD-ZBFHGGJFSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cncs1 ZINC000663468294 413229776 /nfs/dbraw/zinc/22/97/76/413229776.db2.gz LJTKXZLSRITOON-GXTWGEPZSA-N 2 0 279.453 2.916 20 0 CFADRP Cc1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000656786684 413231863 /nfs/dbraw/zinc/23/18/63/413231863.db2.gz WKSNYDMZTCBXNR-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000656791808 413234018 /nfs/dbraw/zinc/23/40/18/413234018.db2.gz KJQBDHWERWJCDA-SFHVURJKSA-N 2 0 288.435 2.658 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CC2([NH3+])CCCC2)cc1F ZINC000656789016 413233240 /nfs/dbraw/zinc/23/32/40/413233240.db2.gz HZRZNMVBTSCCRD-CYBMUJFWSA-N 2 0 294.414 2.874 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2cccc3cnccc32)CCCC1 ZINC000656789726 413233315 /nfs/dbraw/zinc/23/33/15/413233315.db2.gz WLJLQZYXQCHLKT-UHFFFAOYSA-N 2 0 255.365 2.596 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC000660306493 413234310 /nfs/dbraw/zinc/23/43/10/413234310.db2.gz PZTHABSSGBHUEC-SFFUCWETSA-N 2 0 294.483 2.759 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000356341685 155232632 /nfs/dbraw/zinc/23/26/32/155232632.db2.gz PSUMBIKPHIXADQ-SJLPKXTDSA-N 2 0 293.499 2.548 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656788964 413234918 /nfs/dbraw/zinc/23/49/18/413234918.db2.gz HGBSDIIQJIQWEF-AWEZNQCLSA-N 2 0 289.423 2.573 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C[C@H]2C1 ZINC000424349072 286114414 /nfs/dbraw/zinc/11/44/14/286114414.db2.gz MKQPKGCMSRVQNS-VBHGDSQNSA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000663497737 413241715 /nfs/dbraw/zinc/24/17/15/413241715.db2.gz FNIYWURXIDZOFN-GFCCVEGCSA-N 2 0 269.458 2.904 20 0 CFADRP CCOC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000233793871 286169954 /nfs/dbraw/zinc/16/99/54/286169954.db2.gz FTMSTIFTIQMHPV-PMPSAXMXSA-N 2 0 262.397 2.782 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000354453281 286179585 /nfs/dbraw/zinc/17/95/85/286179585.db2.gz ATPUIWIQUUVUKV-MNAZLIDISA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000663500143 413246387 /nfs/dbraw/zinc/24/63/87/413246387.db2.gz PKKSTSVQDYJYRA-BPQIPLTHSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000663500961 413246399 /nfs/dbraw/zinc/24/63/99/413246399.db2.gz WWLVJSOVRVBZMI-NXHRZFHOSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000663498799 413246944 /nfs/dbraw/zinc/24/69/44/413246944.db2.gz GDVDAXDQDJTEPB-NHZBNJEXSA-N 2 0 250.361 2.802 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000663502439 413250058 /nfs/dbraw/zinc/25/00/58/413250058.db2.gz JBCBBHKIKAZGMK-CGTJXYLNSA-N 2 0 289.467 2.785 20 0 CFADRP Cc1cccc2c1CCC[C@H]2[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000663503234 413249941 /nfs/dbraw/zinc/24/99/41/413249941.db2.gz LVBUVUVPSIVKRW-SJORKVTESA-N 2 0 258.409 2.962 20 0 CFADRP C[NH2+]C[C@@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000663510030 413254802 /nfs/dbraw/zinc/25/48/02/413254802.db2.gz NVWYINVYVMYEPL-CYBMUJFWSA-N 2 0 295.858 2.502 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCCCC1 ZINC000423139086 292250199 /nfs/dbraw/zinc/25/01/99/292250199.db2.gz KGKVLVSLOLLOHI-GJZGRUSLSA-N 2 0 268.445 2.561 20 0 CFADRP C[NH2+]C[C@H](C)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000663514431 413257407 /nfs/dbraw/zinc/25/74/07/413257407.db2.gz RHOBEJJZSQKZOD-QWRGUYRKSA-N 2 0 274.330 2.834 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000663514432 413259305 /nfs/dbraw/zinc/25/93/05/413259305.db2.gz RHOBEJJZSQKZOD-WDEREUQCSA-N 2 0 274.330 2.834 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356842681 155391397 /nfs/dbraw/zinc/39/13/97/155391397.db2.gz LGDKDSZHXYKVSU-GVDBMIGSSA-N 2 0 282.472 2.759 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000227498682 286384275 /nfs/dbraw/zinc/38/42/75/286384275.db2.gz NUORZFZOLDSXEC-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccsc1 ZINC000422810120 289364725 /nfs/dbraw/zinc/36/47/25/289364725.db2.gz SSSDQLZMDSXWRI-RBSFLKMASA-N 2 0 281.469 2.600 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C12CCCC2 ZINC000450974528 286387450 /nfs/dbraw/zinc/38/74/50/286387450.db2.gz VXYJMKQKQBHDOV-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C12CCCC2 ZINC000336818748 286387650 /nfs/dbraw/zinc/38/76/50/286387650.db2.gz WWTHNZLZJHKAEW-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000656985043 413285239 /nfs/dbraw/zinc/28/52/39/413285239.db2.gz NKIQINMEKCZRCU-UHFFFAOYSA-N 2 0 283.379 2.645 20 0 CFADRP C[C@@]1(C[NH2+]C2CCC(C(F)F)CC2)CCC[NH2+]C1 ZINC000423325233 297899517 /nfs/dbraw/zinc/89/95/17/297899517.db2.gz BQBLLYRZJMZBFJ-ORHYLEIMSA-N 2 0 260.372 2.790 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000343157431 154128062 /nfs/dbraw/zinc/12/80/62/154128062.db2.gz IFOGSVOVVPSRQM-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000343165905 154130882 /nfs/dbraw/zinc/13/08/82/154130882.db2.gz PIYFLLSZNDKFIP-WBVHZDCISA-N 2 0 285.435 2.961 20 0 CFADRP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C[C@H](C)O1 ZINC000348107765 154323438 /nfs/dbraw/zinc/32/34/38/154323438.db2.gz QYNILBJZRZVHNG-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+]CCC2CCCCCC2)CC1 ZINC000348118267 154328258 /nfs/dbraw/zinc/32/82/58/154328258.db2.gz OVHKCDKTSBETJD-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000348127451 154330264 /nfs/dbraw/zinc/33/02/64/154330264.db2.gz RYSVRCVPCQVJEY-XHSDSOJGSA-N 2 0 282.472 2.638 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCCC1 ZINC000361979938 292307817 /nfs/dbraw/zinc/30/78/17/292307817.db2.gz DTBJTOYCUDRROG-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000348180828 154350321 /nfs/dbraw/zinc/35/03/21/154350321.db2.gz MQISZJKAUSLBDQ-CQSZACIVSA-N 2 0 286.423 2.522 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000348177930 154350647 /nfs/dbraw/zinc/35/06/47/154350647.db2.gz YWSSWLZMLCDRDN-HZPDHXFCSA-N 2 0 262.397 2.558 20 0 CFADRP COCCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300684115 292318381 /nfs/dbraw/zinc/31/83/81/292318381.db2.gz RGAVKIVNJYGUPB-ARFHVFGLSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1[nH+]ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1Cl ZINC000355668862 155061100 /nfs/dbraw/zinc/06/11/00/155061100.db2.gz MRLGREUCKSHZGP-ZDUSSCGKSA-N 2 0 279.815 2.894 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000355669752 155061251 /nfs/dbraw/zinc/06/12/51/155061251.db2.gz HSPNYDGZESQIAR-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP FC(F)(F)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000355879143 155107653 /nfs/dbraw/zinc/10/76/53/155107653.db2.gz JWSYRKAXFXFCHE-UHFFFAOYSA-N 2 0 264.335 2.747 20 0 CFADRP Cc1ccccc1C[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660425188 413306307 /nfs/dbraw/zinc/30/63/07/413306307.db2.gz RCRXFQCJENWLCA-AEFFLSMTSA-N 2 0 292.467 2.559 20 0 CFADRP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358656305 155834575 /nfs/dbraw/zinc/83/45/75/155834575.db2.gz XUPXPZAUFDRTIQ-ZIAGYGMSSA-N 2 0 270.461 2.636 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362930807 156119078 /nfs/dbraw/zinc/11/90/78/156119078.db2.gz NTFXPEJYUGPUNS-UHFFFAOYSA-N 2 0 263.360 2.738 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423210851 286531241 /nfs/dbraw/zinc/53/12/41/286531241.db2.gz GJEFMAQTXTUOSC-WOPDTQHZSA-N 2 0 268.426 2.795 20 0 CFADRP CC(C)CC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363593656 156185595 /nfs/dbraw/zinc/18/55/95/156185595.db2.gz PDBISAMIDAEBBQ-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](CO)c3ccccc32)[C@H](C)C1 ZINC000364951230 156225654 /nfs/dbraw/zinc/22/56/54/156225654.db2.gz FEWXHNOPVLZUAO-KJWYOANISA-N 2 0 288.435 2.527 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367045135 156269805 /nfs/dbraw/zinc/26/98/05/156269805.db2.gz ZIENTHHFLDHDBF-FUHWJXTLSA-N 2 0 285.435 2.959 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]3CCCCC[C@H]32)CC1 ZINC000367050749 156272683 /nfs/dbraw/zinc/27/26/83/156272683.db2.gz SBHGKWJUSHJUPM-QZTJIDSGSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@H](F)CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132558 156286069 /nfs/dbraw/zinc/28/60/69/156286069.db2.gz CWUKNBYEHBLKTI-KGLIPLIRSA-N 2 0 268.420 2.931 20 0 CFADRP CCOC1CC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000367150667 156287637 /nfs/dbraw/zinc/28/76/37/156287637.db2.gz IHKDRBSCAGAMBV-NRLXWARBSA-N 2 0 292.467 2.750 20 0 CFADRP C[N@H+](CCCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367213396 156297279 /nfs/dbraw/zinc/29/72/79/156297279.db2.gz WFDGGHOMCHJIMG-YIONKMFJSA-N 2 0 296.455 2.665 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367365727 156320721 /nfs/dbraw/zinc/32/07/21/156320721.db2.gz RFXCFVZVLFYOHN-IXDOHACOSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc2c(c1)OCO2 ZINC000367437651 156330222 /nfs/dbraw/zinc/33/02/22/156330222.db2.gz JHRKFTTWCGTWMK-GFCCVEGCSA-N 2 0 299.374 2.799 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCCF)CC2)C[C@H](C)O1 ZINC000367551879 156348114 /nfs/dbraw/zinc/34/81/14/156348114.db2.gz CICBTXNHVOVRFV-GASCZTMLSA-N 2 0 286.435 2.557 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000367601275 156359696 /nfs/dbraw/zinc/35/96/96/156359696.db2.gz NGMXMJRDQWWYCN-MJBXVCDLSA-N 2 0 279.453 2.722 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000367602668 156359983 /nfs/dbraw/zinc/35/99/83/156359983.db2.gz VHTYFFPFDXLNOL-OWCLPIDISA-N 2 0 262.372 2.788 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000367625833 156368270 /nfs/dbraw/zinc/36/82/70/156368270.db2.gz ZDASPSJASVVGAU-FVQBIDKESA-N 2 0 292.398 2.797 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC000657189384 413332082 /nfs/dbraw/zinc/33/20/82/413332082.db2.gz GHZPLLWCMABZEZ-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCN(c3ccccc3)C2)C1 ZINC000657182787 413331259 /nfs/dbraw/zinc/33/12/59/413331259.db2.gz QYTFZFLWJDUAIR-SJORKVTESA-N 2 0 287.451 2.587 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000657182655 413332318 /nfs/dbraw/zinc/33/23/18/413332318.db2.gz IBLJODUSGGVVEV-CYBMUJFWSA-N 2 0 293.480 2.843 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193129527 292350058 /nfs/dbraw/zinc/35/00/58/292350058.db2.gz UWNUYLZUJDMKRT-GDBMZVCRSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000401045119 296737325 /nfs/dbraw/zinc/73/73/25/296737325.db2.gz VJMZGVZELUOXIL-SDSMMKDESA-N 2 0 250.430 2.789 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374325081 157099644 /nfs/dbraw/zinc/09/96/44/157099644.db2.gz BLMPNFCESUGIKC-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP CCC(CC)(CC)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000374714887 157153452 /nfs/dbraw/zinc/15/34/52/157153452.db2.gz MRULGKRXFIPHKM-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP CO[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375450132 157244646 /nfs/dbraw/zinc/24/46/46/157244646.db2.gz VIKOSGXHRNYYDN-DJIMGWMZSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375454107 157246976 /nfs/dbraw/zinc/24/69/76/157246976.db2.gz SQFYCLUURMQSLN-KSZLIROESA-N 2 0 294.483 2.878 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375852657 157296158 /nfs/dbraw/zinc/29/61/58/157296158.db2.gz OEGNUKCIENBHEC-RBSFLKMASA-N 2 0 270.486 2.838 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000375896358 157303119 /nfs/dbraw/zinc/30/31/19/157303119.db2.gz WABXRKYZRBILBT-YESZJQIVSA-N 2 0 293.499 2.713 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000376127466 157326192 /nfs/dbraw/zinc/32/61/92/157326192.db2.gz HKBVEXADXQEEPM-UHFFFAOYSA-N 2 0 287.451 2.967 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000376432993 157354896 /nfs/dbraw/zinc/35/48/96/157354896.db2.gz JJLGRMZCRIQUAB-OTBWCIGPSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1C[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2nccn21 ZINC000651303804 413397906 /nfs/dbraw/zinc/39/79/06/413397906.db2.gz IBDMQPYGXPGBPE-FZMZJTMJSA-N 2 0 280.335 2.582 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CCOC2(CCC2)C1)[NH+]1CCCCC1 ZINC000449239903 286811568 /nfs/dbraw/zinc/81/15/68/286811568.db2.gz LRRORITZJCUDPZ-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP CC[C@@H](CC(F)(F)F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423033438 286828033 /nfs/dbraw/zinc/82/80/33/286828033.db2.gz GRQKRCCWJWNDLO-YVNMAJEFSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000651349884 413414658 /nfs/dbraw/zinc/41/46/58/413414658.db2.gz KXVWEEQXWAXMAK-PBHICJAKSA-N 2 0 260.425 2.721 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000657300805 413416940 /nfs/dbraw/zinc/41/69/40/413416940.db2.gz USXHESKWGMESNT-ZWKOTPCHSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423037431 298391733 /nfs/dbraw/zinc/39/17/33/298391733.db2.gz BPXOMAFSVMEUNZ-PMPSAXMXSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000423127201 298392453 /nfs/dbraw/zinc/39/24/53/298392453.db2.gz JRWAFBDWKPOKOY-JMSVASOKSA-N 2 0 282.453 2.858 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)CC1 ZINC000657308631 413427897 /nfs/dbraw/zinc/42/78/97/413427897.db2.gz WCNHIABIIIHAHL-ROUUACIJSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CO1 ZINC000657311329 413432159 /nfs/dbraw/zinc/43/21/59/413432159.db2.gz JTUSYPXUYYIIAU-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340269154 161592577 /nfs/dbraw/zinc/59/25/77/161592577.db2.gz RWVZORYBZVMINX-MRXNPFEDSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459776772 298416109 /nfs/dbraw/zinc/41/61/09/298416109.db2.gz XVOLLAMRQMWRDG-MGPQQGTHSA-N 2 0 270.461 2.898 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)OC ZINC000651387936 413438514 /nfs/dbraw/zinc/43/85/14/413438514.db2.gz RNGKBXJPGJXRIU-VXGQWTEUSA-N 2 0 256.434 2.510 20 0 CFADRP c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c[nH]1 ZINC000344306447 162003187 /nfs/dbraw/zinc/00/31/87/162003187.db2.gz JWAARYSRYJUTFS-UHFFFAOYSA-N 2 0 299.418 2.779 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)OC ZINC000651387937 413439341 /nfs/dbraw/zinc/43/93/41/413439341.db2.gz RNGKBXJPGJXRIU-XSCHDIRWSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000344619210 162082436 /nfs/dbraw/zinc/08/24/36/162082436.db2.gz WAEVDWVFWJBXFF-UONOGXRCSA-N 2 0 275.396 2.529 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C)CC2)CC1 ZINC000344701283 162101869 /nfs/dbraw/zinc/10/18/69/162101869.db2.gz PNFBCODFPUIRDG-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000344975214 162155168 /nfs/dbraw/zinc/15/51/68/162155168.db2.gz PXMWVNVRIJFFAB-GJZGRUSLSA-N 2 0 264.438 2.732 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000345186271 162196585 /nfs/dbraw/zinc/19/65/85/162196585.db2.gz ICRLLFKNYQAMDR-CQSZACIVSA-N 2 0 276.424 2.704 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(F)c1F ZINC000345247145 162210278 /nfs/dbraw/zinc/21/02/78/162210278.db2.gz IZQCMSHYAZWJOV-LLVKDONJSA-N 2 0 266.335 2.877 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)cnn1C(C)(C)C ZINC000345290849 162219844 /nfs/dbraw/zinc/21/98/44/162219844.db2.gz CVBSCDYUKAKWFX-CYBMUJFWSA-N 2 0 280.460 2.939 20 0 CFADRP CCC[N@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346135108 162326263 /nfs/dbraw/zinc/32/62/63/162326263.db2.gz GVMPVTDRHBBMNM-UHFFFAOYSA-N 2 0 258.369 2.808 20 0 CFADRP C(C[C@@H]1CCOC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346368815 162394857 /nfs/dbraw/zinc/39/48/57/162394857.db2.gz MDBYECVBFVTJJA-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@H+](CCc1ccccc1O)Cc1cccc2nccn21 ZINC000346374481 162397426 /nfs/dbraw/zinc/39/74/26/162397426.db2.gz OCPHJGKLBWUGKX-UHFFFAOYSA-N 2 0 281.359 2.714 20 0 CFADRP CCCn1nc(C)c(C[NH+]2CCC(CC[NH2+]C)CC2)c1C ZINC000346666624 162480403 /nfs/dbraw/zinc/48/04/03/162480403.db2.gz YRRKGGCYYCXUEA-UHFFFAOYSA-N 2 0 292.471 2.731 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000657325572 413450476 /nfs/dbraw/zinc/45/04/76/413450476.db2.gz KAMYNGKBCGGPNC-IKGGRYGDSA-N 2 0 282.472 2.782 20 0 CFADRP c1ccc(C[NH+]2C[C@H]3C[NH+](CCC4CC4)C[C@@H]3C2)cc1 ZINC000348316380 162824663 /nfs/dbraw/zinc/82/46/63/162824663.db2.gz JPTNXRKBKOBUEE-QZTJIDSGSA-N 2 0 270.420 2.850 20 0 CFADRP C[C@H](C[NH+](C)C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000348296982 298508230 /nfs/dbraw/zinc/50/82/30/298508230.db2.gz YXLICGUKQLWHDW-INMHGKMJSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000349839451 163023010 /nfs/dbraw/zinc/02/30/10/163023010.db2.gz ZSGNIEWACWSLKA-XBFCOCLRSA-N 2 0 279.453 2.771 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000350023589 163051877 /nfs/dbraw/zinc/05/18/77/163051877.db2.gz ZSRRUJJRADIUDN-HNNXBMFYSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000350023590 163052333 /nfs/dbraw/zinc/05/23/33/163052333.db2.gz ZSRRUJJRADIUDN-OAHLLOKOSA-N 2 0 282.472 2.713 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1F ZINC000350185152 163065083 /nfs/dbraw/zinc/06/50/83/163065083.db2.gz UXFHACFQNTXDDD-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CC[C@@H](C)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000351001912 163114621 /nfs/dbraw/zinc/11/46/21/163114621.db2.gz YUZLXEJZQAPKTG-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)CN(C)C1CC1 ZINC000351445515 163129446 /nfs/dbraw/zinc/12/94/46/163129446.db2.gz QOVICUPZIKLUCU-MSOLQXFVSA-N 2 0 290.451 2.915 20 0 CFADRP CCc1nc(C[NH2+]C2CCC([NH+](C)C)CC2)cs1 ZINC000351499558 163135760 /nfs/dbraw/zinc/13/57/60/163135760.db2.gz DQNQQVFOWBPVNB-UHFFFAOYSA-N 2 0 267.442 2.668 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@@H](O)CN(C)C1CC1)C(C)(C)C ZINC000351578854 163151530 /nfs/dbraw/zinc/15/15/30/163151530.db2.gz HQHQCQAOIBZWIX-HZPDHXFCSA-N 2 0 284.488 2.882 20 0 CFADRP CCOC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351609223 163157392 /nfs/dbraw/zinc/15/73/92/163157392.db2.gz QQHQTKAXCKCXLL-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CCc1nocc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000351665819 163170631 /nfs/dbraw/zinc/17/06/31/163170631.db2.gz SXCQSVXRIFJJJJ-UHFFFAOYSA-N 2 0 279.428 2.791 20 0 CFADRP C[C@H]([NH2+]CCCCF)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351716543 163180922 /nfs/dbraw/zinc/18/09/22/163180922.db2.gz AGXKDYOYMPVSKN-KBPBESRZSA-N 2 0 256.409 2.979 20 0 CFADRP CCc1nocc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351810947 163196479 /nfs/dbraw/zinc/19/64/79/163196479.db2.gz OICBEPOBDLLLKU-SUMWQHHRSA-N 2 0 289.423 2.686 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCCOC ZINC000351825512 163197995 /nfs/dbraw/zinc/19/79/95/163197995.db2.gz ICNJEKRNEFPQFY-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc2)n1 ZINC000351860703 163206154 /nfs/dbraw/zinc/20/61/54/163206154.db2.gz HZXGTQHOYJJBGP-WBVHZDCISA-N 2 0 298.434 2.658 20 0 CFADRP CC[N@H+](CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000351863655 163206209 /nfs/dbraw/zinc/20/62/09/163206209.db2.gz QZAZXMCTOIRUFE-UHFFFAOYSA-N 2 0 287.451 2.683 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352685622 163223188 /nfs/dbraw/zinc/22/31/88/163223188.db2.gz VIBJFKLYMATFMO-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352850110 163250523 /nfs/dbraw/zinc/25/05/23/163250523.db2.gz RSVPMFLSUPTPHK-YQQAZPJKSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cn1 ZINC000352901709 163266393 /nfs/dbraw/zinc/26/63/93/163266393.db2.gz QGSKIBATEKAWHU-DVOMOZLQSA-N 2 0 276.428 2.597 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000352941841 163274489 /nfs/dbraw/zinc/27/44/89/163274489.db2.gz DPTRCETZUFMMPS-ABAIWWIYSA-N 2 0 298.377 2.662 20 0 CFADRP CSC1(C[NH2+]CCCC(C)C)CC[NH+](C)CC1 ZINC000353196521 163315357 /nfs/dbraw/zinc/31/53/57/163315357.db2.gz XGHSBJQKAJITRR-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP CSC1(C[NH2+]C2CCCCC2)CC[NH+](C)CC1 ZINC000353205859 163317494 /nfs/dbraw/zinc/31/74/94/163317494.db2.gz FPIYFDKWJMQELA-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@H]2C1 ZINC000353237366 163323956 /nfs/dbraw/zinc/32/39/56/163323956.db2.gz VLPPFEZTOLTBEU-QZTJIDSGSA-N 2 0 270.420 2.948 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000353264554 163333753 /nfs/dbraw/zinc/33/37/53/163333753.db2.gz IKBXXMXUCHAAJQ-ODIFPOPNSA-N 2 0 288.435 2.930 20 0 CFADRP CC[C@H]([NH2+]CCN1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353344338 163348378 /nfs/dbraw/zinc/34/83/78/163348378.db2.gz JAPGXACCUHHUHQ-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000353395105 163357852 /nfs/dbraw/zinc/35/78/52/163357852.db2.gz OHSRMOODTDQYSW-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000353504820 163380979 /nfs/dbraw/zinc/38/09/79/163380979.db2.gz DFTJWFLSTXXROB-OAHLLOKOSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)C2CC2)cc1 ZINC000353510462 163383330 /nfs/dbraw/zinc/38/33/30/163383330.db2.gz MLKSMYFLVAVDBZ-CXAGYDPISA-N 2 0 299.418 2.850 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)c2ncccc2C)CC1 ZINC000353542260 163388484 /nfs/dbraw/zinc/38/84/84/163388484.db2.gz VIHBWWSRRXXXCW-UHFFFAOYSA-N 2 0 275.440 2.742 20 0 CFADRP Cc1ccsc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353539726 163389618 /nfs/dbraw/zinc/38/96/18/163389618.db2.gz AACQSMDXXJUJLI-UHFFFAOYSA-N 2 0 282.453 2.599 20 0 CFADRP CC[C@@H](F)C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353550996 163393331 /nfs/dbraw/zinc/39/33/31/163393331.db2.gz QBMVUARQBDMGKN-CYBMUJFWSA-N 2 0 256.365 2.781 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CC2)c1 ZINC000353576070 163398453 /nfs/dbraw/zinc/39/84/53/163398453.db2.gz MVGOYGAUIKVMQY-RHSMWYFYSA-N 2 0 288.435 2.657 20 0 CFADRP CSC1(C[NH2+]C2CC(C)(C)C2)CC[NH+](C)CC1 ZINC000353660794 163418829 /nfs/dbraw/zinc/41/88/29/163418829.db2.gz OLLHKMRFYFFQDE-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP COCc1csc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000657334580 413459883 /nfs/dbraw/zinc/45/98/83/413459883.db2.gz DSQGPZCEPWYADE-CYBMUJFWSA-N 2 0 282.453 2.714 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000161800400 287024132 /nfs/dbraw/zinc/02/41/32/287024132.db2.gz FTGMQAZWZQHJSB-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000158178829 287022458 /nfs/dbraw/zinc/02/24/58/287022458.db2.gz JTFRHBUDCXYABR-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878038 287022490 /nfs/dbraw/zinc/02/24/90/287022490.db2.gz IRTDOWJXQWZOCL-ZACQAIPSSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnccn1 ZINC000247143929 287023465 /nfs/dbraw/zinc/02/34/65/287023465.db2.gz SNKODJLPWMMKQG-OWCLPIDISA-N 2 0 290.455 2.885 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000459790115 287029629 /nfs/dbraw/zinc/02/96/29/287029629.db2.gz QUJJECCCQQGZBZ-ZIAGYGMSSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCCO1 ZINC000346839480 287049799 /nfs/dbraw/zinc/04/97/99/287049799.db2.gz TYRQHEOZGHDVMW-HWMZRRJGSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1(c2ccccc2)CCCC1 ZINC000423432613 287062272 /nfs/dbraw/zinc/06/22/72/287062272.db2.gz MMVLBJIUUISLEX-SIXLDLHFSA-N 2 0 270.420 2.694 20 0 CFADRP C[C@@H](N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423392673 287064461 /nfs/dbraw/zinc/06/44/61/287064461.db2.gz LPQZINZYCVSJNM-JEBQAFNWSA-N 2 0 283.419 2.570 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248815850 287070139 /nfs/dbraw/zinc/07/01/39/287070139.db2.gz AITJNXXWGRZPKO-AIANPOQGSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC1(C)C ZINC000284360299 196038724 /nfs/dbraw/zinc/03/87/24/196038724.db2.gz NUFNTMYNBPESDF-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000020128438 171015271 /nfs/dbraw/zinc/01/52/71/171015271.db2.gz NDNURXKOGQFWMJ-KRWDZBQOSA-N 2 0 293.430 2.504 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020128921 171016308 /nfs/dbraw/zinc/01/63/08/171016308.db2.gz XWYJGWYJPZRJNB-UHFFFAOYSA-N 2 0 262.397 2.661 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000020306435 171142838 /nfs/dbraw/zinc/14/28/38/171142838.db2.gz CZSGVPGPBZBPPM-UHFFFAOYSA-N 2 0 276.424 2.973 20 0 CFADRP COc1ccc2cc(C[NH+]3CCC([NH3+])CC3)ccc2c1 ZINC000020521666 171235095 /nfs/dbraw/zinc/23/50/95/171235095.db2.gz LJCDVJYEAFFMDQ-UHFFFAOYSA-N 2 0 270.376 2.772 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657345020 413477438 /nfs/dbraw/zinc/47/74/38/413477438.db2.gz HIPJHZJPEKMRNL-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000657349580 413481303 /nfs/dbraw/zinc/48/13/03/413481303.db2.gz RWDPGQNILVMKOC-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660671054 413487810 /nfs/dbraw/zinc/48/78/10/413487810.db2.gz LIXBPRSVMPGTAQ-HZPDHXFCSA-N 2 0 270.461 2.588 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(OC(F)F)CC2)CCN1C ZINC000651469558 413489489 /nfs/dbraw/zinc/48/94/89/413489489.db2.gz RADWCDYZCXWSON-QCXCNERSSA-N 2 0 276.371 2.609 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651479551 413496911 /nfs/dbraw/zinc/49/69/11/413496911.db2.gz VOJPLZVRCWQLAP-NUEKZKHPSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000651492019 413503181 /nfs/dbraw/zinc/50/31/81/413503181.db2.gz YRGBZKMVUHOITB-LLVKDONJSA-N 2 0 267.442 2.977 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000651668322 413552086 /nfs/dbraw/zinc/55/20/86/413552086.db2.gz GSMLVVBTXHKSBI-ZDUSSCGKSA-N 2 0 258.450 2.615 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000651674418 413561951 /nfs/dbraw/zinc/56/19/51/413561951.db2.gz OLFBLVODLJCCRO-OKZBNKHCSA-N 2 0 295.515 2.817 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000651675979 413562277 /nfs/dbraw/zinc/56/22/77/413562277.db2.gz KLSODQVTRNZREU-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000651676580 413559936 /nfs/dbraw/zinc/55/99/36/413559936.db2.gz FQCYRYPGMQZGDR-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CO1 ZINC000657412989 413568077 /nfs/dbraw/zinc/56/80/77/413568077.db2.gz FWQSQFJBMLKWGR-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CO1 ZINC000657429108 413593457 /nfs/dbraw/zinc/59/34/57/413593457.db2.gz DQTCPONJHFRHJF-WBTNSWJXSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](COC)CC(C)(C)C)C1 ZINC000651692467 413574406 /nfs/dbraw/zinc/57/44/06/413574406.db2.gz GQAXULKMGDFARW-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](COC)CC(C)(C)C)C1 ZINC000651692469 413575691 /nfs/dbraw/zinc/57/56/91/413575691.db2.gz GQAXULKMGDFARW-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CN(CCC[NH+](C)C)CCNc1ccc2ccccc2n1 ZINC000664247225 413651925 /nfs/dbraw/zinc/65/19/25/413651925.db2.gz GSBAGMSASCJAAK-UHFFFAOYSA-N 2 0 286.423 2.530 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660924707 413662308 /nfs/dbraw/zinc/66/23/08/413662308.db2.gz PVTGWUBZSHUCQF-CALCHBBNSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC1CCCC1 ZINC000660925998 413662434 /nfs/dbraw/zinc/66/24/34/413662434.db2.gz JWGAURLCJHKCDS-SJORKVTESA-N 2 0 282.472 2.732 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000651830091 413673817 /nfs/dbraw/zinc/67/38/17/413673817.db2.gz ZTUXMCWBZPPBCD-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657495603 413684923 /nfs/dbraw/zinc/68/49/23/413684923.db2.gz IVXBDCBEHAAUAY-JKSUJKDBSA-N 2 0 268.364 2.546 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000651865190 413686167 /nfs/dbraw/zinc/68/61/67/413686167.db2.gz PVBVKQMLCYYHSB-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC000651910370 413709297 /nfs/dbraw/zinc/70/92/97/413709297.db2.gz QRLGRQVCZPLHAO-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657534736 413717060 /nfs/dbraw/zinc/71/70/60/413717060.db2.gz CVDZLSLCEDZVRL-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC1(C)C ZINC000657537813 413720507 /nfs/dbraw/zinc/72/05/07/413720507.db2.gz UGZJPLMWEVRGNY-RHSMWYFYSA-N 2 0 294.483 2.902 20 0 CFADRP CC1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000657537263 413720964 /nfs/dbraw/zinc/72/09/64/413720964.db2.gz FULMEPUOFFRPQW-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC1(C)C ZINC000657537814 413721785 /nfs/dbraw/zinc/72/17/85/413721785.db2.gz UGZJPLMWEVRGNY-WMLDXEAASA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595772 413776322 /nfs/dbraw/zinc/77/63/22/413776322.db2.gz SCIOGHWCDBIOSX-QAPCUYQASA-N 2 0 290.451 2.777 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccnc2c1 ZINC000657590398 413776646 /nfs/dbraw/zinc/77/66/46/413776646.db2.gz VSXIXROZOLZJIW-SJORKVTESA-N 2 0 295.430 2.994 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657595777 413780648 /nfs/dbraw/zinc/78/06/48/413780648.db2.gz SDMALRFJXMBTEU-FHLIZLRMSA-N 2 0 288.435 2.531 20 0 CFADRP OC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000285503279 196307171 /nfs/dbraw/zinc/30/71/71/196307171.db2.gz CVAWAOMSDCKTJZ-UHFFFAOYSA-N 2 0 288.435 2.676 20 0 CFADRP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000657706917 413877647 /nfs/dbraw/zinc/87/76/47/413877647.db2.gz FPGXFKSEDZNENV-IAGOWNOFSA-N 2 0 292.467 2.677 20 0 CFADRP O[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000657706918 413877837 /nfs/dbraw/zinc/87/78/37/413877837.db2.gz FPGXFKSEDZNENV-IRXDYDNUSA-N 2 0 292.467 2.677 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000652222046 413834484 /nfs/dbraw/zinc/83/44/84/413834484.db2.gz DHJZBGUGIDCOIG-OAGGEKHMSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000652222313 413834528 /nfs/dbraw/zinc/83/45/28/413834528.db2.gz KIQLFHNLTUVLRC-QGZVFWFLSA-N 2 0 289.467 2.897 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000657664723 413835814 /nfs/dbraw/zinc/83/58/14/413835814.db2.gz IMTOUWDMXVKSOS-CQSZACIVSA-N 2 0 292.333 2.711 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C1CCOCC1 ZINC000652222498 413836295 /nfs/dbraw/zinc/83/62/95/413836295.db2.gz PXONIWWMWGXWSF-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1[nH+]ccc(N2CCO[C@@H](CCC[NH+](C)C)C2)c1Cl ZINC000664656372 413890638 /nfs/dbraw/zinc/89/06/38/413890638.db2.gz FZHBQGJKHHRCND-ZDUSSCGKSA-N 2 0 297.830 2.590 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352218 413899351 /nfs/dbraw/zinc/89/93/51/413899351.db2.gz UURFVOOFCONZLF-ROUUACIJSA-N 2 0 272.436 2.988 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC000652348273 413900622 /nfs/dbraw/zinc/90/06/22/413900622.db2.gz ZTIFNBWSUKGMQF-BBWFWOEESA-N 2 0 280.456 2.785 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CCOC(C)(C)C ZINC000652343765 413901591 /nfs/dbraw/zinc/90/15/91/413901591.db2.gz WHQUWYNTLAKOSF-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657872644 414017823 /nfs/dbraw/zinc/01/78/23/414017823.db2.gz RTACFWDNUXINDL-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C2(OC)CCC2)CC1 ZINC000657870216 414018039 /nfs/dbraw/zinc/01/80/39/414018039.db2.gz CLATWOUHUZXWRB-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C([NH2+]C1CCSCC1)C1CC[NH+](CC2CC2)CC1 ZINC000657811817 413956842 /nfs/dbraw/zinc/95/68/42/413956842.db2.gz HUJAZZKBTOFLLV-UHFFFAOYSA-N 2 0 268.470 2.594 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813854 413960865 /nfs/dbraw/zinc/96/08/65/413960865.db2.gz BUXXEDVMFSALCX-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP CCOC1CCC([NH2+]CCC[NH+](CC)CC)CC1 ZINC000657818083 413966824 /nfs/dbraw/zinc/96/68/24/413966824.db2.gz WCLGFXAJOHOWGG-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657836785 413985963 /nfs/dbraw/zinc/98/59/63/413985963.db2.gz BMNGDDINXQDLDI-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](C[NH2+]C1CC(CF)(CF)C1)N1CCC[C@@H](C)C1 ZINC000657834693 413988180 /nfs/dbraw/zinc/98/81/80/413988180.db2.gz ASMKYJIXAFSQIK-CHWSQXEVSA-N 2 0 274.399 2.784 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657839468 413989836 /nfs/dbraw/zinc/98/98/36/413989836.db2.gz WJYUQWUVPFSJCR-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000657839134 413991004 /nfs/dbraw/zinc/99/10/04/413991004.db2.gz MMIAIPAGULPTNL-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC000657839133 413991287 /nfs/dbraw/zinc/99/12/87/413991287.db2.gz MMIAIPAGULPTNL-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657837810 413991529 /nfs/dbraw/zinc/99/15/29/413991529.db2.gz JMKUBIFNJPVIGQ-HZPDHXFCSA-N 2 0 290.455 2.962 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC000657839132 413993224 /nfs/dbraw/zinc/99/32/24/413993224.db2.gz MMIAIPAGULPTNL-JYJNAYRXSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657874327 414021468 /nfs/dbraw/zinc/02/14/68/414021468.db2.gz ZNVRYNMWWWIAMM-QLFBSQMISA-N 2 0 250.430 2.743 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)C(C)(C)C ZINC000657886175 414029940 /nfs/dbraw/zinc/02/99/40/414029940.db2.gz HSMWDJCJRJJFPH-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657891531 414032332 /nfs/dbraw/zinc/03/23/32/414032332.db2.gz SJPDODLQDZXYBU-UHFFFAOYSA-N 2 0 274.399 2.786 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000037229189 173049284 /nfs/dbraw/zinc/04/92/84/173049284.db2.gz HUUNHIBIFZRDBY-GOSISDBHSA-N 2 0 289.467 2.611 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000657933095 414063051 /nfs/dbraw/zinc/06/30/51/414063051.db2.gz ZDQPJVUFQNSDII-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc(C)c1O ZINC000037408296 173184711 /nfs/dbraw/zinc/18/47/11/173184711.db2.gz UNADVQOTDXXRAW-AWEZNQCLSA-N 2 0 274.408 2.583 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037408355 173185145 /nfs/dbraw/zinc/18/51/45/173185145.db2.gz URNLBXUPHBRJKD-CABCVRRESA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037408354 173185168 /nfs/dbraw/zinc/18/51/68/173185168.db2.gz URNLBXUPHBRJKD-GJZGRUSLSA-N 2 0 258.409 2.864 20 0 CFADRP CCC[N@H+](Cc1ccc(OC)c(OC)c1)C1CC[NH2+]CC1 ZINC000037538986 173258588 /nfs/dbraw/zinc/25/85/88/173258588.db2.gz NUNMIUVJYNVYIO-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000658062516 414144226 /nfs/dbraw/zinc/14/42/26/414144226.db2.gz FXKNIJASSOLPEK-KGLIPLIRSA-N 2 0 261.413 2.505 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070823 414152176 /nfs/dbraw/zinc/15/21/76/414152176.db2.gz RLTQHYZNXNYWAQ-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2noc3ccccc32)[C@@H](C)C1 ZINC000658067032 414152689 /nfs/dbraw/zinc/15/26/89/414152689.db2.gz RJYFZNJJWBZANL-DZGCQCFKSA-N 2 0 287.407 2.690 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@H]1C ZINC000658070805 414152904 /nfs/dbraw/zinc/15/29/04/414152904.db2.gz RBXHVFPZUQRVMA-KEYYUXOJSA-N 2 0 280.456 2.512 20 0 CFADRP CCOC1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658033756 414118232 /nfs/dbraw/zinc/11/82/32/414118232.db2.gz AFOPFNPQNAGRPQ-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP CCOC1CCC([NH2+]CCN2CCCC2(C)C)CC1 ZINC000658033717 414119718 /nfs/dbraw/zinc/11/97/18/414119718.db2.gz ZSKXTNIZDLJBSH-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000658036108 414123285 /nfs/dbraw/zinc/12/32/85/414123285.db2.gz UKENAQIUNLPISG-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP Cn1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000665264949 414222796 /nfs/dbraw/zinc/22/27/96/414222796.db2.gz MNFSFPYVJZRPAM-XYPWUTKMSA-N 2 0 283.419 2.593 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1(F)F ZINC000665267172 414225551 /nfs/dbraw/zinc/22/55/51/414225551.db2.gz QWCJVSIJUIICDP-SYQHCUMBSA-N 2 0 272.383 2.932 20 0 CFADRP FC(F)(F)CCC(CCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C1 ZINC000665272558 414230839 /nfs/dbraw/zinc/23/08/39/414230839.db2.gz HJDVUOIZFZXHPI-VIFPVBQESA-N 2 0 292.267 2.992 20 0 CFADRP C1=C(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000665273947 414231646 /nfs/dbraw/zinc/23/16/46/414231646.db2.gz GVAMAGBHVGHTLL-AEFFLSMTSA-N 2 0 284.403 2.942 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139283 414233406 /nfs/dbraw/zinc/23/34/06/414233406.db2.gz QLRIGBURXLRNDL-KURKYZTESA-N 2 0 288.435 2.531 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1nsc2ccccc12 ZINC000665275209 414236071 /nfs/dbraw/zinc/23/60/71/414236071.db2.gz FFWCKJPTECQBIE-GFCCVEGCSA-N 2 0 277.437 2.946 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665277140 414238287 /nfs/dbraw/zinc/23/82/87/414238287.db2.gz UTCXWGAYEOFBEB-OCCSQVGLSA-N 2 0 289.448 2.817 20 0 CFADRP c1ccc([C@H]2CC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279345 414238352 /nfs/dbraw/zinc/23/83/52/414238352.db2.gz APNTUIDXRUHGBR-CBUUIXETSA-N 2 0 256.393 2.664 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236970 414191890 /nfs/dbraw/zinc/19/18/90/414191890.db2.gz XLXZODWEXWKGBY-PMPSAXMXSA-N 2 0 281.488 2.760 20 0 CFADRP CC[C@@H]([NH2+]CC1(C[NH2+][C@H](CC)C2CC2)COC1)C1CC1 ZINC000661761585 414201357 /nfs/dbraw/zinc/20/13/57/414201357.db2.gz HYPCLULKTPLYEL-HZPDHXFCSA-N 2 0 280.456 2.559 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000665241250 414201495 /nfs/dbraw/zinc/20/14/95/414201495.db2.gz GFAVBXGTJLTQQH-XJKSGUPXSA-N 2 0 282.403 2.866 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106781 414206031 /nfs/dbraw/zinc/20/60/31/414206031.db2.gz CGNVSJBIYVQVNJ-CABCVRRESA-N 2 0 297.512 2.541 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000658108326 414206697 /nfs/dbraw/zinc/20/66/97/414206697.db2.gz MWTZSJKQKROMDJ-LSDHHAIUSA-N 2 0 295.446 2.748 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC12CCCC2 ZINC000658109984 414211322 /nfs/dbraw/zinc/21/13/22/414211322.db2.gz ZFOUBNSRIXTDKV-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665262999 414217308 /nfs/dbraw/zinc/21/73/08/414217308.db2.gz DOEIRHMOOPCLQL-PVAVHDDUSA-N 2 0 276.424 2.666 20 0 CFADRP CC(C)(F)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665262221 414217753 /nfs/dbraw/zinc/21/77/53/414217753.db2.gz WHPMRRZNQHWIEP-YOEHRIQHSA-N 2 0 292.398 2.970 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000665258842 414218662 /nfs/dbraw/zinc/21/86/62/414218662.db2.gz MZSPIMZHRNDDBT-YUNRHHNCSA-N 2 0 276.399 2.905 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000665262110 414218813 /nfs/dbraw/zinc/21/88/13/414218813.db2.gz UKDWWBZHBSJITQ-PNESKVBLSA-N 2 0 298.377 2.839 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000665280810 414244696 /nfs/dbraw/zinc/24/46/96/414244696.db2.gz MHAJBUKCHSZZJI-CGTJXYLNSA-N 2 0 289.467 2.612 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665280564 414245076 /nfs/dbraw/zinc/24/50/76/414245076.db2.gz GKFIVMUAFFOQMO-RBSFLKMASA-N 2 0 270.461 2.933 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000665282433 414246789 /nfs/dbraw/zinc/24/67/89/414246789.db2.gz YDYMDYTZNRCXDS-GDBMZVCRSA-N 2 0 286.423 2.896 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000665282795 414247270 /nfs/dbraw/zinc/24/72/70/414247270.db2.gz BZBYRJMJFBDVPH-FVQBIDKESA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000665282180 414248622 /nfs/dbraw/zinc/24/86/22/414248622.db2.gz SINIITJTRJBJIG-HZPDHXFCSA-N 2 0 261.413 2.886 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1(CO)CC1 ZINC000658162351 414248988 /nfs/dbraw/zinc/24/89/88/414248988.db2.gz WOQCCAAGQODNJZ-HLLBOEOZSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165267 414253038 /nfs/dbraw/zinc/25/30/38/414253038.db2.gz HHSTVZYTCZLCRD-OAHLLOKOSA-N 2 0 275.440 2.928 20 0 CFADRP CC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658168514 414254586 /nfs/dbraw/zinc/25/45/86/414254586.db2.gz UHMNOTDUPWOOMV-AWEZNQCLSA-N 2 0 261.413 2.682 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000658183162 414270619 /nfs/dbraw/zinc/27/06/19/414270619.db2.gz BZUPTJZRBZKZFO-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000658188183 414270772 /nfs/dbraw/zinc/27/07/72/414270772.db2.gz PBOINCDQTQNHRF-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000665298200 414271202 /nfs/dbraw/zinc/27/12/02/414271202.db2.gz TYMLOOHPHARTRP-KKUMJFAQSA-N 2 0 261.413 2.614 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(C)(C)CC(F)(F)F ZINC000665301073 414274874 /nfs/dbraw/zinc/27/48/74/414274874.db2.gz NVJPWPLUCAYGIC-MNOVXSKESA-N 2 0 266.351 2.943 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661864802 414275414 /nfs/dbraw/zinc/27/54/14/414275414.db2.gz PPHSPEUYYHKQOD-IAGOWNOFSA-N 2 0 280.456 2.752 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000658208137 414280313 /nfs/dbraw/zinc/28/03/13/414280313.db2.gz XZNLZKGBIGVITC-INMHGKMJSA-N 2 0 262.441 2.887 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@@]2(C)CC2(F)F)CC1 ZINC000658225971 414300688 /nfs/dbraw/zinc/30/06/88/414300688.db2.gz XKMLXPLOMMDKNZ-ZDUSSCGKSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCC(F)CC1 ZINC000662001459 414353101 /nfs/dbraw/zinc/35/31/01/414353101.db2.gz NJBNEMQAISJCOW-VXGQWTEUSA-N 2 0 256.409 2.977 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655686376 414362236 /nfs/dbraw/zinc/36/22/36/414362236.db2.gz FHWSACYUZVRFOO-HIFRSBDPSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655686375 414363138 /nfs/dbraw/zinc/36/31/38/414363138.db2.gz FHWSACYUZVRFOO-DZGCQCFKSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655716744 414387779 /nfs/dbraw/zinc/38/77/79/414387779.db2.gz MXUZGQVQGYBGSU-KFWWJZLASA-N 2 0 270.486 2.981 20 0 CFADRP COc1cccc(C2([NH2+]CCn3ccnc3C)CCC2)c1 ZINC000662109949 414410770 /nfs/dbraw/zinc/41/07/70/414410770.db2.gz WZCZGVDNWNRMSK-UHFFFAOYSA-N 2 0 285.391 2.869 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+]2[C@@H]3CC[C@H]2CC(C)C3)CC1 ZINC000662130369 414421965 /nfs/dbraw/zinc/42/19/65/414421965.db2.gz SRXJBJVBSMHNIJ-AYHJJNSGSA-N 2 0 293.499 2.665 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000655774917 414423778 /nfs/dbraw/zinc/42/37/78/414423778.db2.gz MADDLHVYGQYNHT-QWHCGFSZSA-N 2 0 256.459 2.735 20 0 CFADRP C1CC1[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000655788853 414436086 /nfs/dbraw/zinc/43/60/86/414436086.db2.gz QDPWAJGMDHNCAG-MWDXBVQZSA-N 2 0 278.440 2.551 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655788652 414436414 /nfs/dbraw/zinc/43/64/14/414436414.db2.gz MGLRHHVYZJMMOW-QZTJIDSGSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422732700 287282643 /nfs/dbraw/zinc/28/26/43/287282643.db2.gz QEKYIIGCQMWARE-UYTYNIKBSA-N 2 0 294.483 2.950 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000655804929 414448575 /nfs/dbraw/zinc/44/85/75/414448575.db2.gz GLKNPHILTGGBOF-DRPJVOAASA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000655804971 414449433 /nfs/dbraw/zinc/44/94/33/414449433.db2.gz HGVYTEMSOFMUAH-IVMMDQJWSA-N 2 0 292.398 2.969 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000655804553 414449553 /nfs/dbraw/zinc/44/95/53/414449553.db2.gz ZNGZDHCTMMXVPI-XKQJLSEDSA-N 2 0 273.424 2.853 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000655804384 414449779 /nfs/dbraw/zinc/44/97/79/414449779.db2.gz XITPQBSKJRQJDS-JNSHFYNHSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805785 414451497 /nfs/dbraw/zinc/45/14/97/414451497.db2.gz LIQIWAMGCMTNQO-MELADBBJSA-N 2 0 266.454 2.999 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000655805273 414451700 /nfs/dbraw/zinc/45/17/00/414451700.db2.gz FGLZEVKOJIFQDQ-DIOULYMOSA-N 2 0 262.372 2.743 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805463 414451710 /nfs/dbraw/zinc/45/17/10/414451710.db2.gz HTXYMEIRYSIUQC-BHYGNILZSA-N 2 0 290.451 2.946 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000655805645 414451891 /nfs/dbraw/zinc/45/18/91/414451891.db2.gz JSEVBPATUUFRCE-ARLBYUKCSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cc(F)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000655823870 414460256 /nfs/dbraw/zinc/46/02/56/414460256.db2.gz AOUBRMHPBRPIFX-TXEJJXNPSA-N 2 0 268.351 2.703 20 0 CFADRP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC000655824549 414462698 /nfs/dbraw/zinc/46/26/98/414462698.db2.gz LQMPKIXRJKEGLK-WOVMCDHWSA-N 2 0 298.434 2.611 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655826038 414462721 /nfs/dbraw/zinc/46/27/21/414462721.db2.gz DQGYTLKHPPELEB-BETUJISGSA-N 2 0 281.469 2.771 20 0 CFADRP CC(C)c1cnc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655827738 414464088 /nfs/dbraw/zinc/46/40/88/414464088.db2.gz YZASWAYXWXYPOG-TXEJJXNPSA-N 2 0 267.442 2.696 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000655827622 414464628 /nfs/dbraw/zinc/46/46/28/414464628.db2.gz VJFBJDORIWAJFK-AKAXFMLLSA-N 2 0 258.409 2.994 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000655831164 414466991 /nfs/dbraw/zinc/46/69/91/414466991.db2.gz FBJGQDYVJFFFPY-ZFWWWQNUSA-N 2 0 270.461 2.758 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000655838664 414471144 /nfs/dbraw/zinc/47/11/44/414471144.db2.gz GULGTJQYYCHVKQ-SHTZXODSSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000658355354 414400853 /nfs/dbraw/zinc/40/08/53/414400853.db2.gz IKFUJTNHJNVRNG-AWEZNQCLSA-N 2 0 280.456 2.513 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC[NH+](CC2CC2)CC1 ZINC000658354210 414401444 /nfs/dbraw/zinc/40/14/44/414401444.db2.gz XWRBRKHYAGHQBQ-GVDBMIGSSA-N 2 0 262.441 2.887 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000658357979 414403144 /nfs/dbraw/zinc/40/31/44/414403144.db2.gz WSZAMYKYRYSZHU-KRWDZBQOSA-N 2 0 290.455 2.583 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249361 414476512 /nfs/dbraw/zinc/47/65/12/414476512.db2.gz UHNNTRFXCLTDDN-DOTOQJQBSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccncc1 ZINC000655849001 414476992 /nfs/dbraw/zinc/47/69/92/414476992.db2.gz ODUZXXOSZMCSTN-CWRNSKLLSA-N 2 0 259.397 2.749 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000655849157 414477145 /nfs/dbraw/zinc/47/71/45/414477145.db2.gz PPRPSEXYEOZKLG-JJXSEGSLSA-N 2 0 266.429 2.551 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000662250229 414477404 /nfs/dbraw/zinc/47/74/04/414477404.db2.gz BIWRUJCKZGZZCB-JKSUJKDBSA-N 2 0 278.440 2.552 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250718 414477498 /nfs/dbraw/zinc/47/74/98/414477498.db2.gz MMGVDHBXFJHRLC-WBVHZDCISA-N 2 0 286.419 2.653 20 0 CFADRP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257218 414478777 /nfs/dbraw/zinc/47/87/77/414478777.db2.gz BLAUQNFHNWQYMN-HOTGVXAUSA-N 2 0 280.456 2.798 20 0 CFADRP C(C1CC1)[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662255118 414478894 /nfs/dbraw/zinc/47/88/94/414478894.db2.gz AAVKQKOPAIFXQE-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)CO[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662257515 414479017 /nfs/dbraw/zinc/47/90/17/414479017.db2.gz DOYICRHGBWOHDO-KRWDZBQOSA-N 2 0 288.435 2.579 20 0 CFADRP CCOC[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662253568 414479793 /nfs/dbraw/zinc/47/97/93/414479793.db2.gz AGEMHBBTDZWABP-HNNXBMFYSA-N 2 0 288.435 2.581 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@@H]2CCC[C@@H]21 ZINC000655853257 414480483 /nfs/dbraw/zinc/48/04/83/414480483.db2.gz UDZIOZAWMRGQFK-QAETUUGQSA-N 2 0 292.467 2.941 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266045 414484281 /nfs/dbraw/zinc/48/42/81/414484281.db2.gz WBPPMVPOUNTLBI-BRWVUGGUSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662265660 414485206 /nfs/dbraw/zinc/48/52/06/414485206.db2.gz HQYGKBAVAXDUAN-XQHKEYJVSA-N 2 0 260.372 2.727 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662273681 414488452 /nfs/dbraw/zinc/48/84/52/414488452.db2.gz XUHQTYFDCOBJDF-BJWYYQGGSA-N 2 0 258.409 2.884 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662272669 414488555 /nfs/dbraw/zinc/48/85/55/414488555.db2.gz GURFMTLZVPOCQE-GVDBMIGSSA-N 2 0 280.456 2.513 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000662272009 414489486 /nfs/dbraw/zinc/48/94/86/414489486.db2.gz BCMLZNUJARAYMP-ROUUACIJSA-N 2 0 288.435 2.525 20 0 CFADRP CO[C@H](CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000662274697 414490084 /nfs/dbraw/zinc/49/00/84/414490084.db2.gz KRKGLKWXHNRFOY-IXDOHACOSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@@H](CN(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000662274610 414490476 /nfs/dbraw/zinc/49/04/76/414490476.db2.gz XUZLAGMEOUNOBY-IBGZPJMESA-N 2 0 298.430 2.878 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662275358 414490680 /nfs/dbraw/zinc/49/06/80/414490680.db2.gz BANIXAJGXGHGSF-ZNMIVQPWSA-N 2 0 250.430 2.887 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274996 414491313 /nfs/dbraw/zinc/49/13/13/414491313.db2.gz OTFWTEABALFKNH-XYJFISCASA-N 2 0 270.420 2.790 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000662277073 414492760 /nfs/dbraw/zinc/49/27/60/414492760.db2.gz QSLYQRJQVJQABJ-KZNAEPCWSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+]CC1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655936413 414493046 /nfs/dbraw/zinc/49/30/46/414493046.db2.gz DOXGBQGJVGUEFK-UHFFFAOYSA-N 2 0 268.351 2.568 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000662282628 414494277 /nfs/dbraw/zinc/49/42/77/414494277.db2.gz PKNAXXLJAXAHJG-KBPBESRZSA-N 2 0 294.464 2.704 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283241 414495052 /nfs/dbraw/zinc/49/50/52/414495052.db2.gz SUBLGFWFMZECIA-XHSDSOJGSA-N 2 0 280.456 2.702 20 0 CFADRP COC[C@@H]1CCCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662282349 414495805 /nfs/dbraw/zinc/49/58/05/414495805.db2.gz OUDYIWHHASGHDO-OAHLLOKOSA-N 2 0 288.435 2.581 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000662294226 414496540 /nfs/dbraw/zinc/49/65/40/414496540.db2.gz PXUNVKBPNKZUQO-GOSISDBHSA-N 2 0 287.451 2.910 20 0 CFADRP C[C@H](c1cccnc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293343 414497570 /nfs/dbraw/zinc/49/75/70/414497570.db2.gz QREMTGLZJINSPC-PBHICJAKSA-N 2 0 273.424 2.854 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)noc2c1 ZINC000655941375 414497622 /nfs/dbraw/zinc/49/76/22/414497622.db2.gz RTHFBAPNNJAWMO-RHSMWYFYSA-N 2 0 299.418 2.834 20 0 CFADRP CC(C)n1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298461 414499125 /nfs/dbraw/zinc/49/91/25/414499125.db2.gz WELASJSXHKSDAN-MRXNPFEDSA-N 2 0 290.455 2.676 20 0 CFADRP C(C[N@@H+]1CC[C@H](C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000662307813 414502851 /nfs/dbraw/zinc/50/28/51/414502851.db2.gz ZNHKMJYLFZFQPF-HOCLYGCPSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1noc(C)c1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313693 414503611 /nfs/dbraw/zinc/50/36/11/414503611.db2.gz WMOADJADKMDIPG-IAQYHMDHSA-N 2 0 265.401 2.631 20 0 CFADRP FCC[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662311311 414503699 /nfs/dbraw/zinc/50/36/99/414503699.db2.gz RRPYKOOCZHFWII-HNNXBMFYSA-N 2 0 256.409 2.838 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000662310279 414503796 /nfs/dbraw/zinc/50/37/96/414503796.db2.gz JIKXFUNXQNDYKE-GDBMZVCRSA-N 2 0 294.414 2.809 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CCC1 ZINC000662317757 414505299 /nfs/dbraw/zinc/50/52/99/414505299.db2.gz ZYWXBKZVNDHAIM-BMFZPTHFSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662318348 414505617 /nfs/dbraw/zinc/50/56/17/414505617.db2.gz YKKUCFICGTVDOH-SJLPKXTDSA-N 2 0 289.467 2.962 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)C1CC[NH2+]CC1 ZINC000662314463 414505752 /nfs/dbraw/zinc/50/57/52/414505752.db2.gz PGURKUPPCLTKRV-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CCC1 ZINC000662317758 414506022 /nfs/dbraw/zinc/50/60/22/414506022.db2.gz ZYWXBKZVNDHAIM-FVQBIDKESA-N 2 0 268.445 2.641 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC000662325702 414506602 /nfs/dbraw/zinc/50/66/02/414506602.db2.gz IHWIAEYFFLQTSX-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2C=CCCCCC2)CCO1 ZINC000662323948 414507667 /nfs/dbraw/zinc/50/76/67/414507667.db2.gz QPHJGUBIMZYTDF-DLBZAZTESA-N 2 0 280.456 2.918 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CCO1 ZINC000662323951 414508034 /nfs/dbraw/zinc/50/80/34/414508034.db2.gz QPHJGUBIMZYTDF-SJORKVTESA-N 2 0 280.456 2.918 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC000662331994 414509210 /nfs/dbraw/zinc/50/92/10/414509210.db2.gz RJPFWJSDWZNPTF-CABCVRRESA-N 2 0 276.424 2.715 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000656197444 414531834 /nfs/dbraw/zinc/53/18/34/414531834.db2.gz JKPUPCOFPWJCCD-CHWSQXEVSA-N 2 0 282.815 2.751 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000656198119 414532191 /nfs/dbraw/zinc/53/21/91/414532191.db2.gz VQDVIRXUNIWLGD-LALPHHSUSA-N 2 0 282.815 2.887 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000656198121 414532603 /nfs/dbraw/zinc/53/26/03/414532603.db2.gz VQDVIRXUNIWLGD-TYNCELHUSA-N 2 0 282.815 2.887 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197429 414532645 /nfs/dbraw/zinc/53/26/45/414532645.db2.gz IUISWITZKFYQRE-GJZGRUSLSA-N 2 0 262.397 2.623 20 0 CFADRP COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000656201078 414533853 /nfs/dbraw/zinc/53/38/53/414533853.db2.gz JSBFDJCMIDQBDJ-GXTWGEPZSA-N 2 0 278.396 2.626 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000656201860 414534200 /nfs/dbraw/zinc/53/42/00/414534200.db2.gz SZRGVLAFACOXEJ-YPMHNXCESA-N 2 0 278.387 2.544 20 0 CFADRP C[C@H](CNc1cc[nH+]c2ccccc12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210503 414537744 /nfs/dbraw/zinc/53/77/44/414537744.db2.gz DTLZJSNCBZLMQF-KFWWJZLASA-N 2 0 299.418 2.566 20 0 CFADRP CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000659852169 414588808 /nfs/dbraw/zinc/58/88/08/414588808.db2.gz KQBDGFMLZFWPGK-PBHICJAKSA-N 2 0 296.430 2.910 20 0 CFADRP CC[C@@H](CC(F)F)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000659945490 414625635 /nfs/dbraw/zinc/62/56/35/414625635.db2.gz BLAUXBMYORRRTA-STQMWFEESA-N 2 0 262.388 2.941 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000656269798 414554477 /nfs/dbraw/zinc/55/44/77/414554477.db2.gz UURZZIHKXZJEHP-BHYGNILZSA-N 2 0 260.425 2.795 20 0 CFADRP CO[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000659947292 414627285 /nfs/dbraw/zinc/62/72/85/414627285.db2.gz KJXMFYFPYRKOIR-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(C2CC2)no1 ZINC000659961518 414633181 /nfs/dbraw/zinc/63/31/81/414633181.db2.gz PNUZHPQHVKGPKZ-CQSZACIVSA-N 2 0 277.412 2.858 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCC1 ZINC000659974454 414638149 /nfs/dbraw/zinc/63/81/49/414638149.db2.gz MGAHCBSWFZWCJB-WMZOPIPTSA-N 2 0 294.483 2.855 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659973699 414638554 /nfs/dbraw/zinc/63/85/54/414638554.db2.gz FYGJULJUGFJBNA-KSZLIROESA-N 2 0 295.515 2.628 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000038040889 174041407 /nfs/dbraw/zinc/04/14/07/174041407.db2.gz VHKJTZNPLNPGTJ-JTQLQIEISA-N 2 0 283.213 2.852 20 0 CFADRP c1cc(N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC000660003067 414648232 /nfs/dbraw/zinc/64/82/32/414648232.db2.gz DLIYHPQAAXUWJZ-OWCLPIDISA-N 2 0 271.408 2.640 20 0 CFADRP CCC[NH+]1CCC(N(C)CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659983513 414640853 /nfs/dbraw/zinc/64/08/53/414640853.db2.gz OLDVTLHGFUYIPI-CALCHBBNSA-N 2 0 295.515 2.771 20 0 CFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656697684 414641697 /nfs/dbraw/zinc/64/16/97/414641697.db2.gz CXQSWVOSGUQCRL-XHSDSOJGSA-N 2 0 270.461 2.588 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCC2)C[C@@H]1C ZINC000659983808 414642333 /nfs/dbraw/zinc/64/23/33/414642333.db2.gz WEKNNXLJGKRPAQ-BPUTZDHNSA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000659989296 414644527 /nfs/dbraw/zinc/64/45/27/414644527.db2.gz HVOVMKIYANCAIB-QWHCGFSZSA-N 2 0 262.388 2.941 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000660065348 414657625 /nfs/dbraw/zinc/65/76/25/414657625.db2.gz VFSBJQWQCOPJQW-OWCLPIDISA-N 2 0 284.488 2.882 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000040499535 174296509 /nfs/dbraw/zinc/29/65/09/174296509.db2.gz UNMLASXZQOYGIA-XYTVBORESA-N 2 0 288.435 2.977 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCC1CCC1 ZINC000660118267 414664499 /nfs/dbraw/zinc/66/44/99/414664499.db2.gz SZDYKRXBCQAFNG-IKGGRYGDSA-N 2 0 280.456 2.750 20 0 CFADRP Cc1nc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)o1 ZINC000660115675 414664931 /nfs/dbraw/zinc/66/49/31/414664931.db2.gz YUTRWCMGIFNYKH-IAQYHMDHSA-N 2 0 274.368 2.571 20 0 CFADRP CC(C)=CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000660115598 414665539 /nfs/dbraw/zinc/66/55/39/414665539.db2.gz CLFFQUYDCGSKHG-OWCLPIDISA-N 2 0 266.429 2.526 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040623246 174355873 /nfs/dbraw/zinc/35/58/73/174355873.db2.gz PGECSAXUZSAMMY-MAUKXSAKSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423227984 289772338 /nfs/dbraw/zinc/77/23/38/289772338.db2.gz XUCMUFWOWXQIQK-ZANVPECISA-N 2 0 283.213 2.763 20 0 CFADRP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C[NH3+])CC1 ZINC000044513481 175188940 /nfs/dbraw/zinc/18/89/40/175188940.db2.gz OQUZGCJNATZZAQ-UHFFFAOYSA-N 2 0 291.420 2.882 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516302 175190430 /nfs/dbraw/zinc/19/04/30/175190430.db2.gz DURYGOPBXNQYEP-CYBMUJFWSA-N 2 0 250.386 2.532 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000044517739 175191047 /nfs/dbraw/zinc/19/10/47/175191047.db2.gz ROOMVDKJYFTVPT-NSHDSACASA-N 2 0 267.442 2.834 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000044534714 175197036 /nfs/dbraw/zinc/19/70/36/175197036.db2.gz VHZRBLDGOYLJTP-KBPBESRZSA-N 2 0 292.423 2.696 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534574 175197146 /nfs/dbraw/zinc/19/71/46/175197146.db2.gz GLKDJHRULJAYRY-HOCLYGCPSA-N 2 0 276.424 2.645 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534684 175197366 /nfs/dbraw/zinc/19/73/66/175197366.db2.gz LQLVIKVXJAOXRC-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534682 175197994 /nfs/dbraw/zinc/19/79/94/175197994.db2.gz LQLVIKVXJAOXRC-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@H](F)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000352011217 298932664 /nfs/dbraw/zinc/93/26/64/298932664.db2.gz ACGWXJHIQRYBKM-RRFJBIMHSA-N 2 0 286.435 2.556 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071141949 176040397 /nfs/dbraw/zinc/04/03/97/176040397.db2.gz ZUCTWWPKVHCXPP-IUODEOHRSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000192925685 227385261 /nfs/dbraw/zinc/38/52/61/227385261.db2.gz ZQZMKRXSXKXQGQ-GOEBONIOSA-N 2 0 258.409 2.897 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(C)(C)C ZINC000417909742 227152370 /nfs/dbraw/zinc/15/23/70/227152370.db2.gz DGGCTEXLEPZYBB-QWHCGFSZSA-N 2 0 256.434 2.510 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000192932682 227395594 /nfs/dbraw/zinc/39/55/94/227395594.db2.gz ZJSOXSMPVHLCMA-IAGOWNOFSA-N 2 0 290.476 2.994 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1Cl ZINC000234697546 522667456 /nfs/dbraw/zinc/66/74/56/522667456.db2.gz GCFHWGSUJKYCFO-NEPJUHHUSA-N 2 0 270.804 2.745 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000337388660 292650500 /nfs/dbraw/zinc/65/05/00/292650500.db2.gz JMARQFDBMQWGBM-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400961127 420503487 /nfs/dbraw/zinc/50/34/87/420503487.db2.gz GAQYKTZKBUXWNE-RWMBFGLXSA-N 2 0 264.438 2.788 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400971100 420503543 /nfs/dbraw/zinc/50/35/43/420503543.db2.gz JMFYDIDWQCIHQE-KCQAQPDRSA-N 2 0 264.800 2.818 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nccs1 ZINC000400929552 420503698 /nfs/dbraw/zinc/50/36/98/420503698.db2.gz IJGLNWYNFIBYJJ-XQHKEYJVSA-N 2 0 265.426 2.572 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401049352 420504132 /nfs/dbraw/zinc/50/41/32/420504132.db2.gz SMBDCPCZLPLHAV-OKZBNKHCSA-N 2 0 295.430 2.755 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000037916582 420501337 /nfs/dbraw/zinc/50/13/37/420501337.db2.gz AKORBNWFWFHIJG-SJORKVTESA-N 2 0 286.419 2.586 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916262 420501474 /nfs/dbraw/zinc/50/14/74/420501474.db2.gz MUXZXJFBGQYVEG-SJORKVTESA-N 2 0 258.409 2.959 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCCC1 ZINC000400926404 420502674 /nfs/dbraw/zinc/50/26/74/420502674.db2.gz HNGJYAONCULZFA-ARFHVFGLSA-N 2 0 250.430 2.935 20 0 CFADRP CCCCNc1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001154831517 782031881 /nfs/dbraw/zinc/03/18/81/782031881.db2.gz DLHFQLQIBGMHTN-UHFFFAOYSA-N 2 0 263.385 2.767 20 0 CFADRP c1ccc2sc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2c1 ZINC000312796788 260204433 /nfs/dbraw/zinc/20/44/33/260204433.db2.gz JXIGTIWXDPQGOK-BETUJISGSA-N 2 0 287.432 2.728 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)CCCO1 ZINC000313388925 260291159 /nfs/dbraw/zinc/29/11/59/260291159.db2.gz LUXPZYWYQCZEEM-LJQANCHMSA-N 2 0 296.414 2.903 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000181740160 261094556 /nfs/dbraw/zinc/09/45/56/261094556.db2.gz QELQPCLTKYPUEG-ZWKOTPCHSA-N 2 0 295.515 2.963 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313713232 261509110 /nfs/dbraw/zinc/50/91/10/261509110.db2.gz JLUQVOZIMPDAFD-OCCSQVGLSA-N 2 0 297.240 2.709 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C2CC(OC(C)C)C2)CC1 ZINC000186549724 262098111 /nfs/dbraw/zinc/09/81/11/262098111.db2.gz NRJALGILKVZJRA-UHFFFAOYSA-N 2 0 268.445 2.652 20 0 CFADRP c1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390172689 262147066 /nfs/dbraw/zinc/14/70/66/262147066.db2.gz HIEHSWXVKCPBII-KURKYZTESA-N 2 0 288.435 2.714 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390579286 262222402 /nfs/dbraw/zinc/22/24/02/262222402.db2.gz HOVCRJRMXBFYFJ-DLBZAZTESA-N 2 0 276.424 2.700 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)Cc1ccccc1 ZINC000390623855 262230369 /nfs/dbraw/zinc/23/03/69/262230369.db2.gz GPBCCQLUIQSAJG-JKSUJKDBSA-N 2 0 277.456 2.614 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000390671930 262237757 /nfs/dbraw/zinc/23/77/57/262237757.db2.gz NZFPYMJUGYMOBT-XJFOESAGSA-N 2 0 272.383 2.932 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000391119848 262381795 /nfs/dbraw/zinc/38/17/95/262381795.db2.gz ILGWEFBMBYEMQH-BRWVUGGUSA-N 2 0 273.424 2.790 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOC2CCCCC2)C1 ZINC000093210649 263283114 /nfs/dbraw/zinc/28/31/14/263283114.db2.gz JSWQEPXNAAYCND-KBPBESRZSA-N 2 0 254.418 2.585 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414858359 533686245 /nfs/dbraw/zinc/68/62/45/533686245.db2.gz ROLWUBJNXJWUKH-WCQYABFASA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)n1 ZINC000519546477 265466621 /nfs/dbraw/zinc/46/66/21/265466621.db2.gz VCTWABHWYTYYNO-AWEZNQCLSA-N 2 0 286.423 2.644 20 0 CFADRP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000191957812 270228913 /nfs/dbraw/zinc/22/89/13/270228913.db2.gz IFPPQRZRBFAGQL-OAHLLOKOSA-N 2 0 298.471 2.770 20 0 CFADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192803905 270234820 /nfs/dbraw/zinc/23/48/20/270234820.db2.gz AVNYWYWYNUAWRK-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP CC[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192742490 270233856 /nfs/dbraw/zinc/23/38/56/270233856.db2.gz PNDDNAIHWKWCCM-GOSISDBHSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC(C)(C)CC2)CC1 ZINC000192746547 270233913 /nfs/dbraw/zinc/23/39/13/270233913.db2.gz ZPJWUHSWSZJWBO-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000192737874 270234026 /nfs/dbraw/zinc/23/40/26/270234026.db2.gz GGBXUEAMCFNHGY-IRXDYDNUSA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000192754289 270234069 /nfs/dbraw/zinc/23/40/69/270234069.db2.gz MNQAGHYWSOGDOT-QZTJIDSGSA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000236845281 270263666 /nfs/dbraw/zinc/26/36/66/270263666.db2.gz LKAACZMRXBTGJI-HOTGVXAUSA-N 2 0 297.487 2.522 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257693550 270273932 /nfs/dbraw/zinc/27/39/32/270273932.db2.gz OEZDVRSHGAAWFT-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000258893853 270274321 /nfs/dbraw/zinc/27/43/21/270274321.db2.gz CUGKSBXZJHUQEB-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323505417 270297929 /nfs/dbraw/zinc/29/79/29/270297929.db2.gz WSTMASGGTPQDFQ-UHFFFAOYSA-N 2 0 289.467 2.582 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393420809 270307424 /nfs/dbraw/zinc/30/74/24/270307424.db2.gz ILFHPWWFEQFLNB-LSDHHAIUSA-N 2 0 262.397 2.520 20 0 CFADRP CC(C)n1nccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000394638459 270309046 /nfs/dbraw/zinc/30/90/46/270309046.db2.gz LZTSAWYFMCXFEY-UHFFFAOYSA-N 2 0 266.433 2.674 20 0 CFADRP C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000395093840 270310840 /nfs/dbraw/zinc/31/08/40/270310840.db2.gz RSSQEOHAXMSWHO-FUHWJXTLSA-N 3 0 289.467 2.629 20 0 CFADRP C[C@H](CCCO)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000395046900 270311169 /nfs/dbraw/zinc/31/11/69/270311169.db2.gz PYRVBPPGECTOHK-AEFFLSMTSA-N 2 0 290.451 2.649 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccncn1 ZINC000395962677 270314606 /nfs/dbraw/zinc/31/46/06/270314606.db2.gz GMAJEDGZZVXSFW-UONOGXRCSA-N 2 0 264.417 2.638 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(OC)c1 ZINC000397234236 270316501 /nfs/dbraw/zinc/31/65/01/270316501.db2.gz AMCBOZMRDMGMLY-GUTXKFCHSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000397225151 270316929 /nfs/dbraw/zinc/31/69/29/270316929.db2.gz AZIJWRLKENRSJB-OWCLPIDISA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000397334169 270317507 /nfs/dbraw/zinc/31/75/07/270317507.db2.gz XUGRWZZOLNSYMC-BZPMIXESSA-N 2 0 250.361 2.631 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397436711 270317867 /nfs/dbraw/zinc/31/78/67/270317867.db2.gz CTVUZIDJXPMJNG-YDHLFZDLSA-N 2 0 262.397 2.500 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397574763 270318946 /nfs/dbraw/zinc/31/89/46/270318946.db2.gz FWQAOJXIYNPBAY-QEJZJMRPSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423012105 270332716 /nfs/dbraw/zinc/33/27/16/270332716.db2.gz CJMUUKMHKMHZRC-MISXLKTNSA-N 2 0 284.350 2.510 20 0 CFADRP C[C@H](C[C@H]1CCCO1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459395529 270337449 /nfs/dbraw/zinc/33/74/49/270337449.db2.gz HYFCANCBRRCORB-RHSMWYFYSA-N 2 0 289.423 2.598 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000514612202 270347462 /nfs/dbraw/zinc/34/74/62/270347462.db2.gz LXZQIOLMQBQLJT-QGZVFWFLSA-N 2 0 290.451 2.748 20 0 CFADRP CC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000514792410 270354331 /nfs/dbraw/zinc/35/43/31/270354331.db2.gz MJJKXTMOWNZNGL-CABCVRRESA-N 2 0 296.480 2.581 20 0 CFADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000514824942 270354649 /nfs/dbraw/zinc/35/46/49/270354649.db2.gz IJBJFTRKNRSPQI-FUHWJXTLSA-N 2 0 289.467 2.629 20 0 CFADRP Cc1cc(CNc2cc(C)nc(C3CC3)n2)cc(C)n1 ZINC000515298314 270366785 /nfs/dbraw/zinc/36/67/85/270366785.db2.gz JNWFIVPSKMLRBJ-UHFFFAOYSA-N 2 0 268.364 2.708 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000515335771 270368085 /nfs/dbraw/zinc/36/80/85/270368085.db2.gz LXDPGFLLFZFSSQ-QGZVFWFLSA-N 2 0 291.414 2.993 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000515666071 270374069 /nfs/dbraw/zinc/37/40/69/270374069.db2.gz DXFBDMIHRATRMC-JKSUJKDBSA-N 2 0 270.461 2.638 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000516562154 270383942 /nfs/dbraw/zinc/38/39/42/270383942.db2.gz YSPNSLAGEOCGHY-GJZGRUSLSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@H]1CCN(CC[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000516997610 270393762 /nfs/dbraw/zinc/39/37/62/270393762.db2.gz INQSGUJADVHHJB-YOEHRIQHSA-N 2 0 290.476 2.948 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000518514051 270412311 /nfs/dbraw/zinc/41/23/11/270412311.db2.gz OIACRQZDHKLYLB-CQSZACIVSA-N 2 0 252.789 2.917 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423277278 273966565 /nfs/dbraw/zinc/96/65/65/273966565.db2.gz PPVKOJMDKLYVPV-BLLLJJGKSA-N 2 0 262.397 2.518 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422945938 273772022 /nfs/dbraw/zinc/77/20/22/273772022.db2.gz NWXFJSAJQBHBIN-ZOWXZIJZSA-N 2 0 262.397 2.788 20 0 CFADRP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000423173740 274154395 /nfs/dbraw/zinc/15/43/95/274154395.db2.gz ZXICLXBKRVWHIL-BVGQSLNGSA-N 2 0 294.398 2.897 20 0 CFADRP CS[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1[NH+](C)C ZINC000271653324 274183053 /nfs/dbraw/zinc/18/30/53/274183053.db2.gz SLJJNSQRAHVGQI-HZPDHXFCSA-N 2 0 287.432 2.717 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)[C@H](C)[NH3+] ZINC000423449443 274263312 /nfs/dbraw/zinc/26/33/12/274263312.db2.gz RLRZSDSCYKQJKK-RBZYPMLTSA-N 2 0 297.240 2.632 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)[C@H](C)[NH3+] ZINC000423473700 274263320 /nfs/dbraw/zinc/26/33/20/274263320.db2.gz QRUCCHKRMHPNPW-UMNHJUIQSA-N 2 0 297.240 2.632 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000423115867 274282678 /nfs/dbraw/zinc/28/26/78/274282678.db2.gz OKXHKUQELLVWHH-LUYZLQTOSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000423112707 274283293 /nfs/dbraw/zinc/28/32/93/274283293.db2.gz KAQWASGUKWKDAC-DSJMHWKBSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCCN3)CC[N@@H+]1C ZINC000335010998 274392981 /nfs/dbraw/zinc/39/29/81/274392981.db2.gz DJLHJHNZCJLHFO-HIFRSBDPSA-N 2 0 273.424 2.617 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000334316026 274399761 /nfs/dbraw/zinc/39/97/61/274399761.db2.gz RTIZMODGKVQFPV-GHMZBOCLSA-N 2 0 262.328 2.741 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000335499469 274411686 /nfs/dbraw/zinc/41/16/86/274411686.db2.gz GPEBJSUAEKEGOG-BDJLRTHQSA-N 2 0 260.356 2.568 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000211836301 274476416 /nfs/dbraw/zinc/47/64/16/274476416.db2.gz XMDGUPBIEIOBJZ-ABAIWWIYSA-N 2 0 266.816 2.737 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000044515496 274511505 /nfs/dbraw/zinc/51/15/05/274511505.db2.gz CODCCEPWGARMMS-ZDUSSCGKSA-N 2 0 286.423 2.566 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH2+]CC1)CC3 ZINC000335252956 274765523 /nfs/dbraw/zinc/76/55/23/274765523.db2.gz UGEVPDYJKFPJCT-AWEZNQCLSA-N 2 0 283.419 2.675 20 0 CFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414874678 274864256 /nfs/dbraw/zinc/86/42/56/274864256.db2.gz ISVUKCRIVBZQCJ-LLVKDONJSA-N 2 0 292.814 2.519 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000422807420 274949621 /nfs/dbraw/zinc/94/96/21/274949621.db2.gz OVPBWOOVRZKKMO-YQQAZPJKSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000423494369 274949984 /nfs/dbraw/zinc/94/99/84/274949984.db2.gz RXSUNWOFSPJRRK-XPKDYRNWSA-N 2 0 276.449 2.734 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423283086 275394427 /nfs/dbraw/zinc/39/44/27/275394427.db2.gz XBLZDKYPCDPLHF-LUKYLMHMSA-N 2 0 280.456 2.561 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360986203 275395980 /nfs/dbraw/zinc/39/59/80/275395980.db2.gz KEDYDMPKTMYCKC-QAETUUGQSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@@H]1CCCCO1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157263681 275396441 /nfs/dbraw/zinc/39/64/41/275396441.db2.gz QNBILUIFDHISKT-HOTGVXAUSA-N 2 0 266.429 2.506 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000474734600 275600093 /nfs/dbraw/zinc/60/00/93/275600093.db2.gz UMSDUAJEOBFFRL-MSOLQXFVSA-N 2 0 296.499 2.885 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422924503 275690668 /nfs/dbraw/zinc/69/06/68/275690668.db2.gz YRNBTWABYMHORV-FZKCQIBNSA-N 2 0 268.445 2.545 20 0 CFADRP CC/C=C\C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158045 275801558 /nfs/dbraw/zinc/80/15/58/275801558.db2.gz NRZGJAZDJNSXFA-CWPZSORWSA-N 2 0 272.392 2.798 20 0 CFADRP CC1(C[NH2+][C@@H]2CCc3c2cccc3F)CC[NH2+]CC1 ZINC000335021716 275896953 /nfs/dbraw/zinc/89/69/53/275896953.db2.gz CUMGCXNAZXIHFB-OAHLLOKOSA-N 2 0 262.372 2.792 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000353969918 276011969 /nfs/dbraw/zinc/01/19/69/276011969.db2.gz AFICXHXAROFOEM-INIZCTEOSA-N 2 0 281.488 2.713 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414800650 276021625 /nfs/dbraw/zinc/02/16/25/276021625.db2.gz SKVPVTHMRNCOJR-GARJFASQSA-N 2 0 252.324 2.680 20 0 CFADRP CC(C)[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336828708 276024444 /nfs/dbraw/zinc/02/44/44/276024444.db2.gz CQFQVUBTICCXNG-IXDOHACOSA-N 2 0 282.472 2.590 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442880673 276025936 /nfs/dbraw/zinc/02/59/36/276025936.db2.gz XSCVWGOXKWHTTB-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000414837058 276056408 /nfs/dbraw/zinc/05/64/08/276056408.db2.gz UAZLONOLSFWLGA-UYJHFMRCSA-N 2 0 289.467 2.917 20 0 CFADRP CC(C[NH+]1C[C@H](C)[C@@H](C)C1)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000464831150 276093462 /nfs/dbraw/zinc/09/34/62/276093462.db2.gz JOEJYUAIHBFJHT-VGWMRTNUSA-N 2 0 252.446 2.798 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361921774 276105409 /nfs/dbraw/zinc/10/54/09/276105409.db2.gz CWQVSDMCNAJFQV-XDNAFOTISA-N 2 0 295.515 2.959 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190608909 276109441 /nfs/dbraw/zinc/10/94/41/276109441.db2.gz TZKYJWNCLJTXGL-WBVHZDCISA-N 2 0 282.472 2.591 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000248580052 276114534 /nfs/dbraw/zinc/11/45/34/276114534.db2.gz RRYLPUUQOWXUJO-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CC1CCC(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000430922731 276188687 /nfs/dbraw/zinc/18/86/87/276188687.db2.gz ADOIUNGKXWCZAG-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000449475515 276229138 /nfs/dbraw/zinc/22/91/38/276229138.db2.gz FRCVQEODSZVBIC-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)[C@H](C)C1 ZINC000421382340 276229633 /nfs/dbraw/zinc/22/96/33/276229633.db2.gz NAHHHNVFVTUNHH-KFWWJZLASA-N 2 0 282.497 2.840 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226571763 276325794 /nfs/dbraw/zinc/32/57/94/276325794.db2.gz KJUUCSFPBMRZOT-KKUMJFAQSA-N 2 0 256.434 2.654 20 0 CFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)COC ZINC000268771339 276328285 /nfs/dbraw/zinc/32/82/85/276328285.db2.gz LQDMHUDRVJMGMZ-HNNXBMFYSA-N 2 0 294.439 2.532 20 0 CFADRP CC[N@@H+](Cc1ccccn1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424298357 276355031 /nfs/dbraw/zinc/35/50/31/276355031.db2.gz IPZLDBXFHXKBJM-HNNXBMFYSA-N 2 0 287.382 2.785 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3C=CCCC3)CC2)CC1 ZINC000335188406 276358968 /nfs/dbraw/zinc/35/89/68/276358968.db2.gz FWYKQSJUHFUHFL-KRWDZBQOSA-N 2 0 291.483 2.587 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422741025 276382873 /nfs/dbraw/zinc/38/28/73/276382873.db2.gz OVODUWPEUIPBKI-HIFRSBDPSA-N 2 0 262.397 2.692 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189064045 276384076 /nfs/dbraw/zinc/38/40/76/276384076.db2.gz WDQQJMHDAKCRAR-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000359189479 276398998 /nfs/dbraw/zinc/39/89/98/276398998.db2.gz LRIZNZIKPFLFCQ-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000355109309 276461222 /nfs/dbraw/zinc/46/12/22/276461222.db2.gz AWVFHXAIZPLTHM-LAVFITLUSA-N 2 0 294.483 2.923 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000152620108 276484967 /nfs/dbraw/zinc/48/49/67/276484967.db2.gz BWLZXOJLMBOKJZ-ZACQAIPSSA-N 2 0 282.472 2.925 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305771732 276561847 /nfs/dbraw/zinc/56/18/47/276561847.db2.gz RSYUOCUYBJYYKW-OTRWWLKZSA-N 2 0 282.472 2.779 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000358312590 276583542 /nfs/dbraw/zinc/58/35/42/276583542.db2.gz BOWWDDZERVAIMU-BBWFWOEESA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000347117532 276586528 /nfs/dbraw/zinc/58/65/28/276586528.db2.gz URWLACUMXFBPJL-USXIJHARSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000130024495 276783703 /nfs/dbraw/zinc/78/37/03/276783703.db2.gz FEIONDQDEVSMCU-OAHLLOKOSA-N 2 0 250.361 2.744 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423036761 276811535 /nfs/dbraw/zinc/81/15/35/276811535.db2.gz LMJMUTCQYUTSJR-VQHPVUNQSA-N 2 0 280.456 2.846 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414836576 276812651 /nfs/dbraw/zinc/81/26/51/276812651.db2.gz JQDIKVZGRLUSPM-NUEKZKHPSA-N 2 0 250.430 2.935 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423260321 276812665 /nfs/dbraw/zinc/81/26/65/276812665.db2.gz PYTFFCWLFMKCJA-VVLHAWIVSA-N 2 0 280.456 2.561 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338010094 277025503 /nfs/dbraw/zinc/02/55/03/277025503.db2.gz DNECWOCZQGKEIR-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C2CC2)CC1 ZINC000368332277 277046261 /nfs/dbraw/zinc/04/62/61/277046261.db2.gz PXNXLLCIQVEOMJ-INIZCTEOSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459813068 277046498 /nfs/dbraw/zinc/04/64/98/277046498.db2.gz WDUYUXJPCXTUQD-OKZBNKHCSA-N 2 0 294.483 2.734 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423346732 277082873 /nfs/dbraw/zinc/08/28/73/277082873.db2.gz QBBTWSQTCZPCBO-DYVFJYSZSA-N 2 0 289.423 2.685 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000414849073 277151553 /nfs/dbraw/zinc/15/15/53/277151553.db2.gz XBUJMKVZZHUJSC-UHFFFAOYSA-N 2 0 267.461 2.501 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000354150726 277151742 /nfs/dbraw/zinc/15/17/42/277151742.db2.gz STLCXZLRUYUALM-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353432102 277171429 /nfs/dbraw/zinc/17/14/29/277171429.db2.gz ABVYMCRJZQDMSK-IXDOHACOSA-N 2 0 258.409 2.692 20 0 CFADRP COC(C)(C)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000336805503 277176591 /nfs/dbraw/zinc/17/65/91/277176591.db2.gz BZJQEQACLDEJCN-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP COC(C)(C)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297796817 277177713 /nfs/dbraw/zinc/17/77/13/277177713.db2.gz XDKIZVFENZNRCM-AWEZNQCLSA-N 2 0 291.439 2.844 20 0 CFADRP COC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CCCCC1 ZINC000355583608 277187176 /nfs/dbraw/zinc/18/71/76/277187176.db2.gz NSPAIEPIAZVVSP-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000234686209 277202478 /nfs/dbraw/zinc/20/24/78/277202478.db2.gz PWEQTASTMMRPQI-LSDHHAIUSA-N 2 0 262.397 2.784 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000372104148 277236950 /nfs/dbraw/zinc/23/69/50/277236950.db2.gz VVZUWQAHLOPFRP-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000158608430 277262030 /nfs/dbraw/zinc/26/20/30/277262030.db2.gz JIEMOAVFLMCZBR-INMHGKMJSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000420385391 277267506 /nfs/dbraw/zinc/26/75/06/277267506.db2.gz HQWNKFMTENJJSC-CQSZACIVSA-N 2 0 252.789 2.869 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000435874700 277267765 /nfs/dbraw/zinc/26/77/65/277267765.db2.gz MUGYTWHCGDFYAP-JSGCOSHPSA-N 2 0 250.361 2.613 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000423200508 277268417 /nfs/dbraw/zinc/26/84/17/277268417.db2.gz MGFARKOGWZKVOF-OAHLLOKOSA-N 2 0 250.386 2.591 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423198864 277268454 /nfs/dbraw/zinc/26/84/54/277268454.db2.gz IJBMEKLEZKAQBG-OAHLLOKOSA-N 2 0 262.397 2.617 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423266111 277282696 /nfs/dbraw/zinc/28/26/96/277282696.db2.gz CUAMSLUKRTUDFT-SUMWQHHRSA-N 2 0 288.435 2.834 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423281903 277282735 /nfs/dbraw/zinc/28/27/35/277282735.db2.gz VWVMCCBRJKMSBI-LRDDRELGSA-N 2 0 276.424 2.863 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423256381 277282936 /nfs/dbraw/zinc/28/29/36/277282936.db2.gz BTIKQOCAKRASPE-NHYWBVRUSA-N 2 0 250.361 2.648 20 0 CFADRP COC(=O)C1CCC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000192438087 277311763 /nfs/dbraw/zinc/31/17/63/277311763.db2.gz JQAUPVUGERJRBQ-QQFBHYJXSA-N 2 0 296.455 2.572 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537141 277333746 /nfs/dbraw/zinc/33/37/46/277333746.db2.gz JICUIEBCCDHLLN-PBHICJAKSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422982635 277367867 /nfs/dbraw/zinc/36/78/67/277367867.db2.gz XIKIFEYFDBGYRE-NXOAAHMSSA-N 2 0 282.472 2.684 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1Cl ZINC000423140161 277376142 /nfs/dbraw/zinc/37/61/42/277376142.db2.gz XOUPODCZMJUTPX-DZGCQCFKSA-N 2 0 296.842 2.998 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000167574129 277386414 /nfs/dbraw/zinc/38/64/14/277386414.db2.gz MSXLFYPZXXOKDB-ZACQAIPSSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000090586514 277392215 /nfs/dbraw/zinc/39/22/15/277392215.db2.gz GSFHKUPZLYLHKI-ZJPYXAASSA-N 2 0 295.515 2.673 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000337376095 277555816 /nfs/dbraw/zinc/55/58/16/277555816.db2.gz AKIFVNCWORPGFS-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2cccnc2CC1)C[NH+]1CCCC1 ZINC000421819101 277588404 /nfs/dbraw/zinc/58/84/04/277588404.db2.gz FDOXCKXCKIHWGP-DOTOQJQBSA-N 2 0 287.451 2.651 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422739900 277721514 /nfs/dbraw/zinc/72/15/14/277721514.db2.gz AQHQQEKZQZVGFM-UYTYNIKBSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000261550217 277792817 /nfs/dbraw/zinc/79/28/17/277792817.db2.gz MXNSQWJMESSJDM-OLMNGRFOSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CS1 ZINC000488451661 277821641 /nfs/dbraw/zinc/82/16/41/277821641.db2.gz VXLNXWAUOUNODW-GJZGRUSLSA-N 2 0 270.486 2.979 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414808192 277881654 /nfs/dbraw/zinc/88/16/54/277881654.db2.gz RXWWIHMMQKUYNG-HIFRSBDPSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423535146 277916407 /nfs/dbraw/zinc/91/64/07/277916407.db2.gz CDRKSHMROMSJBC-INIZCTEOSA-N 2 0 259.397 2.678 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)CC[NH2+]1 ZINC000414714381 278012092 /nfs/dbraw/zinc/01/20/92/278012092.db2.gz VMYICZZIOYLIPU-KONPQCLYSA-N 2 0 288.435 2.837 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423391719 278034058 /nfs/dbraw/zinc/03/40/58/278034058.db2.gz PPGGCQUXWOLDRM-XUJVJEKNSA-N 2 0 260.381 2.542 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423322330 278036515 /nfs/dbraw/zinc/03/65/15/278036515.db2.gz GXEXWZHRUWGTLQ-WBVHZDCISA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422755549 278041815 /nfs/dbraw/zinc/04/18/15/278041815.db2.gz FTPRDTRDIMIYEK-PVAVHDDUSA-N 2 0 287.451 2.687 20 0 CFADRP CSC1(C[NH2+][C@H](C)C2CCC2)CC[NH+](C)CC1 ZINC000353627006 278126210 /nfs/dbraw/zinc/12/62/10/278126210.db2.gz JLTCRQZUSQJPRN-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422920200 278126474 /nfs/dbraw/zinc/12/64/74/278126474.db2.gz LUMAUNBXAMAGBQ-GJZGRUSLSA-N 2 0 292.448 2.633 20 0 CFADRP CS[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1[NH+](C)C ZINC000271653323 278167838 /nfs/dbraw/zinc/16/78/38/278167838.db2.gz SLJJNSQRAHVGQI-HOTGVXAUSA-N 2 0 287.432 2.717 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366965 278168476 /nfs/dbraw/zinc/16/84/76/278168476.db2.gz KAVUDUMWIFZZPX-GMTAPVOTSA-N 2 0 252.324 2.967 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000422922980 278169549 /nfs/dbraw/zinc/16/95/49/278169549.db2.gz UVVULAQWSDGHJV-JXFSHQFZSA-N 2 0 262.397 2.657 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422865849 278216481 /nfs/dbraw/zinc/21/64/81/278216481.db2.gz POOFVHVJILQGAI-FXUDXRNXSA-N 2 0 279.472 2.512 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2c1cccc2F ZINC000422766517 278227463 /nfs/dbraw/zinc/22/74/63/278227463.db2.gz QEPXEPRSUXTQCU-NHYWBVRUSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CCOC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000249096083 278233819 /nfs/dbraw/zinc/23/38/19/278233819.db2.gz MBQQTZCCCPBBNQ-RYRKJORJSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423124921 278235241 /nfs/dbraw/zinc/23/52/41/278235241.db2.gz MZCVBPUDEPQVQF-YQQAZPJKSA-N 2 0 276.424 2.712 20 0 CFADRP C[C@H]([NH2+]CCCCCc1ccc(F)cc1)C1C[NH2+]C1 ZINC000423059177 278257041 /nfs/dbraw/zinc/25/70/41/278257041.db2.gz FBMDLNUYWZWMGW-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487558472 278265382 /nfs/dbraw/zinc/26/53/82/278265382.db2.gz YNGGCVNGUTYBQO-ZNMIVQPWSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H](CNc1cc[nH+]c2ccccc12)C[NH+]1CCOCC1 ZINC000265545995 278287674 /nfs/dbraw/zinc/28/76/74/278287674.db2.gz FREHNXNKGZFJMW-AWEZNQCLSA-N 2 0 285.391 2.615 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422936372 278297148 /nfs/dbraw/zinc/29/71/48/278297148.db2.gz MGBGEZSDEKLFJL-QWRGUYRKSA-N 2 0 286.341 2.834 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000341300016 278297801 /nfs/dbraw/zinc/29/78/01/278297801.db2.gz LMZBWXGEAAEIQN-WBTNSWJXSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888400 278309371 /nfs/dbraw/zinc/30/93/71/278309371.db2.gz CPDSFFPCNSELHA-HUUCEWRRSA-N 2 0 290.455 2.677 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449508450 278341999 /nfs/dbraw/zinc/34/19/99/278341999.db2.gz NFMAPPRSMCVNKK-SJORKVTESA-N 2 0 294.483 2.636 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423244964 278348323 /nfs/dbraw/zinc/34/83/23/278348323.db2.gz IEGRBEPYVQTUFA-NEPJUHHUSA-N 2 0 279.453 2.672 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423256516 278348408 /nfs/dbraw/zinc/34/84/08/278348408.db2.gz FLGNFCBEQIPBAI-ZIAGYGMSSA-N 2 0 286.423 2.614 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422885016 278351792 /nfs/dbraw/zinc/35/17/92/278351792.db2.gz GHALBUYAUXIOSI-IJEWVQPXSA-N 2 0 274.408 2.673 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000071206197 278355090 /nfs/dbraw/zinc/35/50/90/278355090.db2.gz FNVNMTUFJNYXQN-XJKSGUPXSA-N 2 0 259.397 2.829 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000423386157 278385374 /nfs/dbraw/zinc/38/53/74/278385374.db2.gz RJJPYRVADAICLZ-NFAWXSAZSA-N 2 0 290.407 2.639 20 0 CFADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2=CCCCC2)CC1 ZINC000450368125 278395025 /nfs/dbraw/zinc/39/50/25/278395025.db2.gz ZBAFSXTUJRMTOC-OAHLLOKOSA-N 2 0 280.456 2.511 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000131424800 278430925 /nfs/dbraw/zinc/43/09/25/278430925.db2.gz HOECUBSYBGYHNF-GJZGRUSLSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000334853029 278497247 /nfs/dbraw/zinc/49/72/47/278497247.db2.gz IZOCSLNMKIGUOD-JSGCOSHPSA-N 2 0 277.437 2.534 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000347018060 278578850 /nfs/dbraw/zinc/57/88/50/278578850.db2.gz HBJLMXMSFXXODQ-ZDUSSCGKSA-N 2 0 297.487 2.532 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187983112 288059233 /nfs/dbraw/zinc/05/92/33/288059233.db2.gz DZGPEUFPYOXWFH-YOEHRIQHSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCO[C@H]1c1ccccc1 ZINC000345062348 288076978 /nfs/dbraw/zinc/07/69/78/288076978.db2.gz JJHKVEAOYRYUDE-BGTYHANMSA-N 2 0 288.435 2.694 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000085401592 278928128 /nfs/dbraw/zinc/92/81/28/278928128.db2.gz YPCPFYMASNOJPI-NEXFUWMNSA-N 2 0 268.445 2.686 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000423313679 278951210 /nfs/dbraw/zinc/95/12/10/278951210.db2.gz GAYICOWCAFTEKV-SJORKVTESA-N 2 0 258.409 2.643 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423489793 279014531 /nfs/dbraw/zinc/01/45/31/279014531.db2.gz GWLNHEGLFXXOKA-TWINXVHLSA-N 2 0 262.372 2.776 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423552453 279022528 /nfs/dbraw/zinc/02/25/28/279022528.db2.gz UYBSNXBAOQHNQE-JOCABOTCSA-N 2 0 270.420 2.898 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423552455 279022618 /nfs/dbraw/zinc/02/26/18/279022618.db2.gz UYBSNXBAOQHNQE-QGHZAEEISA-N 2 0 270.420 2.898 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423043066 279059917 /nfs/dbraw/zinc/05/99/17/279059917.db2.gz NEWGWQFUZSLBJF-FPCVCCKLSA-N 2 0 268.445 2.830 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000336805940 279092370 /nfs/dbraw/zinc/09/23/70/279092370.db2.gz XPONCWUHEAOLMC-HOCLYGCPSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000366481042 279094571 /nfs/dbraw/zinc/09/45/71/279094571.db2.gz RRMDENFVCWPYSN-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP CC[NH+](CC)CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093496049 279099900 /nfs/dbraw/zinc/09/99/00/279099900.db2.gz GAAPBALPNHYTNB-JKSUJKDBSA-N 2 0 269.477 2.619 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000355912962 279103033 /nfs/dbraw/zinc/10/30/33/279103033.db2.gz MECLXCYGHLORDO-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358322206 288107791 /nfs/dbraw/zinc/10/77/91/288107791.db2.gz SMMJDPYEVHUGRB-FVCCEPFGSA-N 2 0 260.372 2.883 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2c1cccc2F ZINC000349668995 279109373 /nfs/dbraw/zinc/10/93/73/279109373.db2.gz SHECDWIJFJTYTE-KRWDZBQOSA-N 2 0 294.414 2.761 20 0 CFADRP C[C@@H]1[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000423030184 279126183 /nfs/dbraw/zinc/12/61/83/279126183.db2.gz JKZNTOYEUPLBJO-VDHUWJSZSA-N 2 0 287.451 2.552 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000348306034 279134263 /nfs/dbraw/zinc/13/42/63/279134263.db2.gz WKXIJPJPAAOJMK-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450461732 279135287 /nfs/dbraw/zinc/13/52/87/279135287.db2.gz XDPAVHIWVXBFFZ-QZTJIDSGSA-N 2 0 295.515 2.913 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422697829 279138157 /nfs/dbraw/zinc/13/81/57/279138157.db2.gz WJIPTXXQUNGFOZ-CRAIPNDOSA-N 2 0 289.467 2.759 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000422855138 279165721 /nfs/dbraw/zinc/16/57/21/279165721.db2.gz DOGMUTRFQXZIDY-QLFBSQMISA-N 2 0 281.469 2.600 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000354432454 279213612 /nfs/dbraw/zinc/21/36/12/279213612.db2.gz YPDULVCQFJBYRJ-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423071592 279254806 /nfs/dbraw/zinc/25/48/06/279254806.db2.gz FSMCUZHWYBNJCZ-PVAVHDDUSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000423136407 279255036 /nfs/dbraw/zinc/25/50/36/279255036.db2.gz YXGMIEXMDUDIPC-ZETOZRRWSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423121606 279256245 /nfs/dbraw/zinc/25/62/45/279256245.db2.gz AWHRBUQFQYRCLP-BXKDBHETSA-N 2 0 270.323 2.505 20 0 CFADRP CC[NH+]1CCC(N(CCC[NH+]2CCCCC2)C2CC2)CC1 ZINC000372902583 279257822 /nfs/dbraw/zinc/25/78/22/279257822.db2.gz WAZFGFJHKVIXNW-UHFFFAOYSA-N 2 0 293.499 2.811 20 0 CFADRP CC[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000286876857 279262005 /nfs/dbraw/zinc/26/20/05/279262005.db2.gz CELYYCXXWFLAOA-KRWDZBQOSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423299358 279289454 /nfs/dbraw/zinc/28/94/54/279289454.db2.gz PWBMFAOTLOQLGZ-MNOVXSKESA-N 2 0 252.427 2.872 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)C2CCCC2)CC1 ZINC000154534254 279356470 /nfs/dbraw/zinc/35/64/70/279356470.db2.gz JIYJDULETIAURH-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422910800 279384095 /nfs/dbraw/zinc/38/40/95/279384095.db2.gz JIDGCVYGWNMJTR-ZWKOTPCHSA-N 3 0 289.467 2.744 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000430961441 279393839 /nfs/dbraw/zinc/39/38/39/279393839.db2.gz DGQYCGANZZGYTP-DZKIICNBSA-N 2 0 268.445 2.641 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000430595289 279498455 /nfs/dbraw/zinc/49/84/55/279498455.db2.gz UCQYRINARWROJB-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423425356 279710836 /nfs/dbraw/zinc/71/08/36/279710836.db2.gz DNABZCAUOAAGDZ-FZKCQIBNSA-N 2 0 280.456 2.556 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCC2(C)C)C[C@@H](C)O1 ZINC000342692436 288161582 /nfs/dbraw/zinc/16/15/82/288161582.db2.gz YTMAQEXORIRSPM-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423256907 279815704 /nfs/dbraw/zinc/81/57/04/279815704.db2.gz GOSGYFFLVAJRIB-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@@H]12 ZINC000248444315 288181984 /nfs/dbraw/zinc/18/19/84/288181984.db2.gz WBXCFUINYKTEKT-UGUYLWEFSA-N 2 0 250.430 2.981 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246463364 280083790 /nfs/dbraw/zinc/08/37/90/280083790.db2.gz QAOCADCOSPDKIW-JJTUDDRGSA-N 2 0 282.472 2.756 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246463358 280083844 /nfs/dbraw/zinc/08/38/44/280083844.db2.gz QAOCADCOSPDKIW-HHARLNAUSA-N 2 0 282.472 2.756 20 0 CFADRP C[C@H]1c2ccsc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000251243984 280136335 /nfs/dbraw/zinc/13/63/35/280136335.db2.gz UFPSBXWOLSQHRL-NWDGAFQWSA-N 2 0 250.411 2.667 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000414796796 280174100 /nfs/dbraw/zinc/17/41/00/280174100.db2.gz YHOMGMCGRXZEEK-UBDQQSCGSA-N 2 0 270.420 2.791 20 0 CFADRP CC(C)[C@H](C)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)C(C)C ZINC000343288131 280210028 /nfs/dbraw/zinc/21/00/28/280210028.db2.gz VFLNOLIUTQFLCC-HOTGVXAUSA-N 2 0 272.477 2.956 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124653462 280222560 /nfs/dbraw/zinc/22/25/60/280222560.db2.gz XWYTUZKRBWIRDH-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1cccnc1 ZINC000361922400 280254821 /nfs/dbraw/zinc/25/48/21/280254821.db2.gz IPYNXXDUIZQWRS-HYVNUMGLSA-N 2 0 275.440 2.751 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccnc1 ZINC000422832650 280255874 /nfs/dbraw/zinc/25/58/74/280255874.db2.gz LHYHLYNHEJRBOG-PVAVHDDUSA-N 2 0 275.440 2.928 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422905036 280277990 /nfs/dbraw/zinc/27/79/90/280277990.db2.gz HOBPUVKVTMSVBI-GVDBMIGSSA-N 2 0 295.515 2.865 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccnc1 ZINC000423421249 280333943 /nfs/dbraw/zinc/33/39/43/280333943.db2.gz AUXSMPICVKVSFU-BBWFWOEESA-N 2 0 273.424 2.756 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423017292 280341146 /nfs/dbraw/zinc/34/11/46/280341146.db2.gz OIUHFMNBXVMKFE-HZMVEIRTSA-N 2 0 294.483 2.684 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243582 280448055 /nfs/dbraw/zinc/44/80/55/280448055.db2.gz WLWYVHYWLZKHAE-GFCCVEGCSA-N 2 0 252.427 2.611 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000348100211 288239518 /nfs/dbraw/zinc/23/95/18/288239518.db2.gz CVNWRKHHVDBECH-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000080374372 280538886 /nfs/dbraw/zinc/53/88/86/280538886.db2.gz RWIHRPDWPGRJDG-UHFFFAOYSA-N 2 0 294.439 2.620 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120968745 280619709 /nfs/dbraw/zinc/61/97/09/280619709.db2.gz AHDVRNYAGQNZQA-IKGGRYGDSA-N 2 0 283.504 2.674 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@H](C)CCOC)[NH+]1CCCC1 ZINC000132336659 280729860 /nfs/dbraw/zinc/72/98/60/280729860.db2.gz VMBJSFNIOVMDSW-GDBMZVCRSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)C1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186598784 280848890 /nfs/dbraw/zinc/84/88/90/280848890.db2.gz QCBHMCOEOCCBBS-WWDZGPRUSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186605935 280849118 /nfs/dbraw/zinc/84/91/18/280849118.db2.gz RHVFNCKOYYOKGV-DLBZAZTESA-N 2 0 289.467 2.672 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1(C)C ZINC000247262663 281008468 /nfs/dbraw/zinc/00/84/68/281008468.db2.gz ZHHBXAQRGJRQFI-YMSVYLFOSA-N 2 0 268.445 2.508 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247989485 281017630 /nfs/dbraw/zinc/01/76/30/281017630.db2.gz JEKHMWYQGVBRNC-HOCLYGCPSA-N 2 0 274.408 2.832 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000248066659 281017812 /nfs/dbraw/zinc/01/78/12/281017812.db2.gz ZSONYYAJNPFZCL-RDJZCZTQSA-N 2 0 290.451 2.866 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000248482188 281023592 /nfs/dbraw/zinc/02/35/92/281023592.db2.gz BUJWXFBAVSJRRI-NTZNESFSSA-N 2 0 267.442 2.627 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000248622472 281028200 /nfs/dbraw/zinc/02/82/00/281028200.db2.gz BCURAXKJZPIGSG-GVDBMIGSSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000248622463 281028656 /nfs/dbraw/zinc/02/86/56/281028656.db2.gz BBRIUYWCMWEIPW-BBWFWOEESA-N 2 0 283.504 2.817 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000248782148 281034864 /nfs/dbraw/zinc/03/48/64/281034864.db2.gz XFPAKYAJLLSZAC-SJORKVTESA-N 2 0 281.403 2.951 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249170982 281050594 /nfs/dbraw/zinc/05/05/94/281050594.db2.gz BJKITRDMJLVEAZ-ZACQAIPSSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000249765709 281066641 /nfs/dbraw/zinc/06/66/41/281066641.db2.gz OSYXQGQCHFZCBH-XWTMOSNGSA-N 2 0 295.515 2.673 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000250116973 281069388 /nfs/dbraw/zinc/06/93/88/281069388.db2.gz QSJZVIIFLAYNSK-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000251401225 281071985 /nfs/dbraw/zinc/07/19/85/281071985.db2.gz LYSPPOHMYZKDIO-VSZNYVQBSA-N 2 0 295.515 2.863 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252859373 281077978 /nfs/dbraw/zinc/07/79/78/281077978.db2.gz MKAPIYSAMRYOOD-FPMFFAJLSA-N 2 0 250.411 2.616 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252861279 281077999 /nfs/dbraw/zinc/07/79/99/281077999.db2.gz NJUKWZOSXFHDFQ-BHYGNILZSA-N 2 0 258.409 2.863 20 0 CFADRP C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000254985908 281082948 /nfs/dbraw/zinc/08/29/48/281082948.db2.gz HPTYCYVBIGJZKY-HKBKRHGFSA-N 2 0 258.409 2.973 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000271842383 281091366 /nfs/dbraw/zinc/09/13/66/281091366.db2.gz GZDFKFOVRZEHQC-KRWDZBQOSA-N 2 0 256.393 2.834 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H](C)C2 ZINC000423371190 281092575 /nfs/dbraw/zinc/09/25/75/281092575.db2.gz UTOXXYZHOUSGQG-UNEWFSDZSA-N 2 0 258.409 2.960 20 0 CFADRP c1sc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000259056046 281111292 /nfs/dbraw/zinc/11/12/92/281111292.db2.gz QPPTVIPHQMNGDS-LBPRGKRZSA-N 2 0 260.406 2.991 20 0 CFADRP Brc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000259039914 281111436 /nfs/dbraw/zinc/11/14/36/281111436.db2.gz PKMZFMYXBARHQG-LBPRGKRZSA-N 2 0 283.213 2.538 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000268737211 281116308 /nfs/dbraw/zinc/11/63/08/281116308.db2.gz WDUOBRVUABIGRB-BPQIPLTHSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420256307 281170242 /nfs/dbraw/zinc/17/02/42/281170242.db2.gz IZONLCJHJKRMQK-ZIAGYGMSSA-N 2 0 267.376 2.589 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncc(F)c1 ZINC000353669817 281177083 /nfs/dbraw/zinc/17/70/83/281177083.db2.gz FSEFBZSOTAUQNW-QGLTVNCISA-N 2 0 265.376 2.744 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncc(F)c1 ZINC000353669818 281177107 /nfs/dbraw/zinc/17/71/07/281177107.db2.gz FSEFBZSOTAUQNW-VCANKDNSSA-N 2 0 265.376 2.744 20 0 CFADRP CC[C@@H](C)[N@H+](C)CCNc1cc[nH+]cc1-c1cccnc1 ZINC000368185502 281189102 /nfs/dbraw/zinc/18/91/02/281189102.db2.gz TYZVHBFOSHMPRF-CQSZACIVSA-N 2 0 284.407 2.708 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000397037239 281200406 /nfs/dbraw/zinc/20/04/06/281200406.db2.gz GJCRSEXJMKUXEB-HBNTYKKESA-N 2 0 252.324 2.695 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397636505 281201081 /nfs/dbraw/zinc/20/10/81/281201081.db2.gz PURHZFSLOLIGMS-IKGGRYGDSA-N 2 0 295.515 2.673 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397636517 281201125 /nfs/dbraw/zinc/20/11/25/281201125.db2.gz PURHZFSLOLIGMS-YESZJQIVSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423011873 281223129 /nfs/dbraw/zinc/22/31/29/281223129.db2.gz BSZWQNXVDFMLOC-DGCLKSJQSA-N 2 0 252.427 2.577 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000423009597 281223137 /nfs/dbraw/zinc/22/31/37/281223137.db2.gz VWMQYKKXPYBFIR-UXIGCNINSA-N 2 0 250.386 2.639 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423011875 281223163 /nfs/dbraw/zinc/22/31/63/281223163.db2.gz BSZWQNXVDFMLOC-WCQYABFASA-N 2 0 252.427 2.577 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423009725 281223195 /nfs/dbraw/zinc/22/31/95/281223195.db2.gz DNXTUUVHFMKSBG-SQWLQELKSA-N 2 0 291.414 2.512 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423011876 281223311 /nfs/dbraw/zinc/22/33/11/281223311.db2.gz BSZWQNXVDFMLOC-YPMHNXCESA-N 2 0 252.427 2.577 20 0 CFADRP CCc1cnccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423011725 281223326 /nfs/dbraw/zinc/22/33/26/281223326.db2.gz BKQFIOVTSUHWFW-SQPSOYEMSA-N 2 0 259.397 2.578 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(CC)CC ZINC000424375755 281227394 /nfs/dbraw/zinc/22/73/94/281227394.db2.gz NVNLIPNATRVTFS-TUVASFSCSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424374124 281227435 /nfs/dbraw/zinc/22/74/35/281227435.db2.gz YNPUCKHEWMYAOE-VDHUWJSZSA-N 2 0 293.499 2.889 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000261874407 281243172 /nfs/dbraw/zinc/24/31/72/281243172.db2.gz VPNPQFYPVYCSHU-NEPJUHHUSA-N 2 0 278.362 2.896 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@H]1SC ZINC000459391971 281261951 /nfs/dbraw/zinc/26/19/51/281261951.db2.gz KUXMYRYGKZRQOW-ARFHVFGLSA-N 2 0 298.496 2.502 20 0 CFADRP CC(C)(C)C1CC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000459416943 281262954 /nfs/dbraw/zinc/26/29/54/281262954.db2.gz UDPKTSHRKODCPT-GPANFISMSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447784 281273677 /nfs/dbraw/zinc/27/36/77/281273677.db2.gz UIBJRAZZBRPHTM-RCCFBDPRSA-N 2 0 270.420 2.960 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cc2)n1 ZINC000515068611 281290936 /nfs/dbraw/zinc/29/09/36/281290936.db2.gz KXRFGGKAMHHKFJ-RHSMWYFYSA-N 2 0 298.434 2.801 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423074287 281291345 /nfs/dbraw/zinc/29/13/45/281291345.db2.gz UIJASYLKHUNVHJ-NUEKZKHPSA-N 2 0 274.408 2.926 20 0 CFADRP CN(Cc1ccc2c(n1)CCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000515608620 281296108 /nfs/dbraw/zinc/29/61/08/281296108.db2.gz GVKVFNREFDIKAY-SJPCQFCGSA-N 2 0 285.435 2.627 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527654800 281337247 /nfs/dbraw/zinc/33/72/47/281337247.db2.gz YUDRPCVMVFKRCV-COXVUDFISA-N 2 0 280.456 2.512 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccncc2Cl)CC1 ZINC000527666078 281338604 /nfs/dbraw/zinc/33/86/04/281338604.db2.gz KTFUTKIESWUFQH-UHFFFAOYSA-N 2 0 281.831 2.947 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414949350 288322943 /nfs/dbraw/zinc/32/29/43/288322943.db2.gz ZZJFZZXHWJMLFK-CIRFHOKZSA-N 2 0 293.499 2.617 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000536854613 281530574 /nfs/dbraw/zinc/53/05/74/281530574.db2.gz ZAHLHZGIJCCDOW-BSWAZPDLSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000543636360 281651831 /nfs/dbraw/zinc/65/18/31/281651831.db2.gz HVHARJWAMUZUGB-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000552104932 281853724 /nfs/dbraw/zinc/85/37/24/281853724.db2.gz LKVIJUYAIWIKFQ-OAHLLOKOSA-N 2 0 266.429 2.576 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000558623854 281987101 /nfs/dbraw/zinc/98/71/01/281987101.db2.gz WHSPFALFUKBJQO-KRWDZBQOSA-N 2 0 288.435 2.797 20 0 CFADRP Cn1ccnc1[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000559636472 282008804 /nfs/dbraw/zinc/00/88/04/282008804.db2.gz MUXKSOWSRXBBLU-INIZCTEOSA-N 2 0 291.439 2.806 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)C1CCOCC1 ZINC000560038215 282014179 /nfs/dbraw/zinc/01/41/79/282014179.db2.gz GIUSOFWDQLBAKQ-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)C1CCOCC1 ZINC000560038214 282014390 /nfs/dbraw/zinc/01/43/90/282014390.db2.gz GIUSOFWDQLBAKQ-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000560545822 282033737 /nfs/dbraw/zinc/03/37/37/282033737.db2.gz XDCURSSEPGSPKE-KURKYZTESA-N 2 0 272.436 3.000 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000560582774 282035469 /nfs/dbraw/zinc/03/54/69/282035469.db2.gz HNHQXVOAPNFKBP-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000560908361 282043825 /nfs/dbraw/zinc/04/38/25/282043825.db2.gz GKQHWFOXZVUPCV-GMGZGELVSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000331364422 282045057 /nfs/dbraw/zinc/04/50/57/282045057.db2.gz BVEFBJPCROONGQ-DMDPSCGWSA-N 2 0 265.426 2.546 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CCCCC[C@@H]2[NH3+])CCCCC1 ZINC000422750644 282046026 /nfs/dbraw/zinc/04/60/26/282046026.db2.gz DKXVDNIXCILEAZ-GJZGRUSLSA-N 2 0 267.461 2.501 20 0 CFADRP CCC(CC)(CC(=O)OC)[NH2+]CCC[NH+]1CCCCC1 ZINC000444567369 282053225 /nfs/dbraw/zinc/05/32/25/282053225.db2.gz GXSAMKBUHDZGGB-UHFFFAOYSA-N 2 0 284.444 2.574 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000562056172 282065976 /nfs/dbraw/zinc/06/59/76/282065976.db2.gz CQFFXESBDRQYLE-BQFCYCMXSA-N 2 0 296.499 2.884 20 0 CFADRP Cc1cc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000562246682 282069528 /nfs/dbraw/zinc/06/95/28/282069528.db2.gz MUDRDCADNKJZGU-YOEHRIQHSA-N 2 0 269.392 2.915 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CCCC1 ZINC000248849012 282075484 /nfs/dbraw/zinc/07/54/84/282075484.db2.gz ACPOUUJUCCLARD-BZUAXINKSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000364920746 282075517 /nfs/dbraw/zinc/07/55/17/282075517.db2.gz RSWJCNKYHOYFLK-OAGGEKHMSA-N 2 0 292.467 2.656 20 0 CFADRP COCC[C@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414208688 292665440 /nfs/dbraw/zinc/66/54/40/292665440.db2.gz RXHAKKHRRCRUDA-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000423508907 288764071 /nfs/dbraw/zinc/76/40/71/288764071.db2.gz RDBBZZFTHKJCRX-BMFZPTHFSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414840218 533692408 /nfs/dbraw/zinc/69/24/08/533692408.db2.gz YGTRAGOWVIIREE-GXTWGEPZSA-N 2 0 252.427 2.658 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000513756078 289062064 /nfs/dbraw/zinc/06/20/64/289062064.db2.gz WFOGCKMXANAQEJ-YESZJQIVSA-N 2 0 293.499 2.713 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000353391746 289065809 /nfs/dbraw/zinc/06/58/09/289065809.db2.gz DGQMRSBPJCKPDR-UHFFFAOYSA-N 3 0 281.488 2.712 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184657715 289108241 /nfs/dbraw/zinc/10/82/41/289108241.db2.gz HSERDHHEBABJEE-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459800645 289111678 /nfs/dbraw/zinc/11/16/78/289111678.db2.gz KOLIDTKVUXLWDE-KBPBESRZSA-N 2 0 270.461 2.900 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194069546 289304032 /nfs/dbraw/zinc/30/40/32/289304032.db2.gz AADZXIYQECUDOV-WRQOLXDDSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357039866 289448061 /nfs/dbraw/zinc/44/80/61/289448061.db2.gz AZPUKAXZAKFCLA-QAPCUYQASA-N 2 0 294.483 2.761 20 0 CFADRP C[C@H](CCC1CCCC1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349350086 289455983 /nfs/dbraw/zinc/45/59/83/289455983.db2.gz BTKZSTWKCXJAIQ-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422904381 289459381 /nfs/dbraw/zinc/45/93/81/289459381.db2.gz XHARAQQOGKPBLD-CYBMUJFWSA-N 2 0 264.388 2.964 20 0 CFADRP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)C[NH+]1CCCC1 ZINC000372693191 289686576 /nfs/dbraw/zinc/68/65/76/289686576.db2.gz NDVCTBUYSRDJIF-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000423111641 289727802 /nfs/dbraw/zinc/72/78/02/289727802.db2.gz QXCQLGFIZAFPFB-JJXSEGSLSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000415084668 289727860 /nfs/dbraw/zinc/72/78/60/289727860.db2.gz HHNZTMBTANGPFE-DRRXZNNHSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCCCC1 ZINC000093516714 289735095 /nfs/dbraw/zinc/73/50/95/289735095.db2.gz MKLFGBCINPAICH-HUUCEWRRSA-N 2 0 268.445 2.582 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000364818995 289874865 /nfs/dbraw/zinc/87/48/65/289874865.db2.gz VPZUHVWPHSWNNR-BZUAXINKSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC2(C)C)(N2CCCCC2)CC1 ZINC000342693371 289879399 /nfs/dbraw/zinc/87/93/99/289879399.db2.gz ABLBXNGCPAEGNO-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000423179893 289955100 /nfs/dbraw/zinc/95/51/00/289955100.db2.gz MWVMCZOIGJFADV-INIZCTEOSA-N 2 0 297.446 2.786 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1N(C)C ZINC000423544710 290025472 /nfs/dbraw/zinc/02/54/72/290025472.db2.gz OTFHDLVFCSIEGN-YHUYYLMFSA-N 2 0 287.451 2.791 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000562389289 290039904 /nfs/dbraw/zinc/03/99/04/290039904.db2.gz IZEBZBHPYXFOHK-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CCCC[C@H]1C ZINC000562519252 290050291 /nfs/dbraw/zinc/05/02/91/290050291.db2.gz CLZDHWNEMWMTSA-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)C1CCC(F)(F)CC1 ZINC000423516943 290058051 /nfs/dbraw/zinc/05/80/51/290058051.db2.gz UGBOTVUQWFVUCA-LOWVWBTDSA-N 2 0 260.372 2.917 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)C1CCOCC1 ZINC000562623321 290060300 /nfs/dbraw/zinc/06/03/00/290060300.db2.gz CKYDZYGMXSXFPU-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@@H]2CCCC[C@@H]12 ZINC000562646525 290062577 /nfs/dbraw/zinc/06/25/77/290062577.db2.gz ODQKWDWDBDEQCU-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000562657428 290063573 /nfs/dbraw/zinc/06/35/73/290063573.db2.gz GFNOETRAHZQPRS-HALDLXJZSA-N 2 0 276.424 2.794 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000562734909 290072169 /nfs/dbraw/zinc/07/21/69/290072169.db2.gz MJQMJTOXBILRIX-KFWWJZLASA-N 2 0 282.472 2.900 20 0 CFADRP [NH3+][C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000562955664 290085116 /nfs/dbraw/zinc/08/51/16/290085116.db2.gz GUQLBUCORVZFJU-XWTMOSNGSA-N 2 0 287.451 2.587 20 0 CFADRP CCn1cncc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000563157353 290110119 /nfs/dbraw/zinc/11/01/19/290110119.db2.gz HYCRZXPVAJLWGL-INIZCTEOSA-N 2 0 271.364 2.556 20 0 CFADRP COC(=O)CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000563423391 290148488 /nfs/dbraw/zinc/14/84/88/290148488.db2.gz GGEVCLAQLYWJLD-PMPSAXMXSA-N 2 0 290.407 2.540 20 0 CFADRP C[C@H]([NH2+]Cc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000563427601 290149848 /nfs/dbraw/zinc/14/98/48/290149848.db2.gz YNJKSYQHNHYIIZ-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000563429720 290150565 /nfs/dbraw/zinc/15/05/65/290150565.db2.gz VLRLGLCAURNGEY-CJNGLKHVSA-N 2 0 262.397 2.563 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@@H](C)C1 ZINC000563444937 290153006 /nfs/dbraw/zinc/15/30/06/290153006.db2.gz TXIUKLPBORIWLR-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000563700732 290169278 /nfs/dbraw/zinc/16/92/78/290169278.db2.gz LZMPNQUFGKGEMH-GOEBONIOSA-N 2 0 271.408 2.818 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563735332 290172270 /nfs/dbraw/zinc/17/22/70/290172270.db2.gz ZCSMFMHFIIOWBY-HOCLYGCPSA-N 2 0 289.423 2.785 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000564086177 290191607 /nfs/dbraw/zinc/19/16/07/290191607.db2.gz VWXLUXGOYDOQEQ-SJLPKXTDSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@@H]2CCCC[C@H]12 ZINC000564212287 290197601 /nfs/dbraw/zinc/19/76/01/290197601.db2.gz QTPDJNVDIIPZEX-JHJVBQTASA-N 2 0 292.427 2.664 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000564469397 290210917 /nfs/dbraw/zinc/21/09/17/290210917.db2.gz DNNYOKPGCQSKSJ-QWHCGFSZSA-N 2 0 270.779 2.881 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)C2(OC)CCCC2)CC1 ZINC000564557999 290214825 /nfs/dbraw/zinc/21/48/25/290214825.db2.gz QUINIRGDSZGSSC-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H]2CCC[C@H]21 ZINC000414336964 290215333 /nfs/dbraw/zinc/21/53/33/290215333.db2.gz PKQDNVOXQCJBRR-YESZJQIVSA-N 2 0 287.451 2.822 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000367598830 290216605 /nfs/dbraw/zinc/21/66/05/290216605.db2.gz GNCBHDQATXBRFQ-YESZJQIVSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)COc1ccc(C[N@H+](C)CCC[NH3+])cc1 ZINC000564728458 290227653 /nfs/dbraw/zinc/22/76/53/290227653.db2.gz IXDRQYHBCVNBJQ-UHFFFAOYSA-N 2 0 250.386 2.502 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000564741483 290228851 /nfs/dbraw/zinc/22/88/51/290228851.db2.gz TUBCXVURCYCYQW-LSDHHAIUSA-N 2 0 262.397 2.542 20 0 CFADRP C[C@H](CCC1CCCC1)[NH2+]CCOCC[NH+](C)C ZINC000564812368 290234687 /nfs/dbraw/zinc/23/46/87/290234687.db2.gz KWKIGFWXHIKKDE-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000564823344 290236232 /nfs/dbraw/zinc/23/62/32/290236232.db2.gz LHXHRTRRMDFUAY-CQSZACIVSA-N 2 0 298.434 2.737 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000564824517 290237112 /nfs/dbraw/zinc/23/71/12/290237112.db2.gz FSEPAPRGNLVWKX-UONOGXRCSA-N 2 0 264.413 2.732 20 0 CFADRP CCn1c(C[NH2+]Cc2ccc(C[NH3+])cc2)nc2ccccc21 ZINC000564973826 290254435 /nfs/dbraw/zinc/25/44/35/290254435.db2.gz UXTORWMXJFTLTM-UHFFFAOYSA-N 2 0 294.402 2.805 20 0 CFADRP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564973652 290254523 /nfs/dbraw/zinc/25/45/23/290254523.db2.gz NNHQAZNYNTWSFY-KGLIPLIRSA-N 2 0 291.464 2.842 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000564988449 290255202 /nfs/dbraw/zinc/25/52/02/290255202.db2.gz NOHONKGDVNKDOQ-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000564988689 290255337 /nfs/dbraw/zinc/25/53/37/290255337.db2.gz OEXRNUGJURBDCV-DLBZAZTESA-N 2 0 298.434 2.695 20 0 CFADRP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)cc1)n1ccnc1 ZINC000565064114 290264268 /nfs/dbraw/zinc/26/42/68/290264268.db2.gz CEBKAJQFJALWKL-ZDUSSCGKSA-N 2 0 286.379 2.535 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000565435152 290301622 /nfs/dbraw/zinc/30/16/22/290301622.db2.gz YQEFMTSRCXUCCG-OLZOCXBDSA-N 2 0 282.815 2.751 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000565586515 290311254 /nfs/dbraw/zinc/31/12/54/290311254.db2.gz SCZBBEGDBPBMGF-WEINEVFGSA-N 2 0 299.462 2.585 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000565644579 290315228 /nfs/dbraw/zinc/31/52/28/290315228.db2.gz PYEQCDMQSBXXLJ-NXHRZFHOSA-N 2 0 288.435 2.763 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)C1 ZINC000566020016 290342430 /nfs/dbraw/zinc/34/24/30/290342430.db2.gz ABBKARLXYCGWJA-KFWWJZLASA-N 2 0 291.414 2.654 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000566091312 290347639 /nfs/dbraw/zinc/34/76/39/290347639.db2.gz WLQJVAZXWULRRJ-HOCLYGCPSA-N 2 0 289.423 2.620 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000566170739 290355621 /nfs/dbraw/zinc/35/56/21/290355621.db2.gz UCNMHOJTLLFLKI-APWZRJJASA-N 2 0 299.462 2.881 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566242083 290361574 /nfs/dbraw/zinc/36/15/74/290361574.db2.gz HFESUPNOHYTRFM-SFHVURJKSA-N 2 0 288.435 2.703 20 0 CFADRP C[C@H]1CCCCC[NH+]1CC(O)C[N@H+]1CCCCC[C@@H]1C ZINC000447269740 290371735 /nfs/dbraw/zinc/37/17/35/290371735.db2.gz CXGAQZZDQBUFGB-HOTGVXAUSA-N 2 0 282.472 2.876 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc(C)sc1C ZINC000234749808 292805172 /nfs/dbraw/zinc/80/51/72/292805172.db2.gz ACIQFYBUYUEAGI-DGCLKSJQSA-N 2 0 270.442 2.769 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1F)CC(C)C ZINC000566418330 290381861 /nfs/dbraw/zinc/38/18/61/290381861.db2.gz FQHSFHSHTOVAHA-MRXNPFEDSA-N 2 0 296.430 2.596 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN(Cc1ccccc1F)CC(C)C ZINC000566418327 290381900 /nfs/dbraw/zinc/38/19/00/290381900.db2.gz FQHSFHSHTOVAHA-INIZCTEOSA-N 2 0 296.430 2.596 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000367106054 290388168 /nfs/dbraw/zinc/38/81/68/290388168.db2.gz HLUIOZDWQORIGI-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP O=C(CC[NH2+]C1CC1)Nc1cccc(Oc2ccncc2)c1 ZINC000566469308 290389311 /nfs/dbraw/zinc/38/93/11/290389311.db2.gz DBOUFNMFVFQYPI-UHFFFAOYSA-N 2 0 297.358 2.955 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000566555782 290400309 /nfs/dbraw/zinc/40/03/09/290400309.db2.gz YHESTXFWDKMIJD-INIZCTEOSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642538 290480733 /nfs/dbraw/zinc/48/07/33/290480733.db2.gz SHUDPPVQMMCAMT-IUODEOHRSA-N 2 0 283.847 2.660 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642540 290480809 /nfs/dbraw/zinc/48/08/09/290480809.db2.gz SHUDPPVQMMCAMT-WFASDCNBSA-N 2 0 283.847 2.660 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000567893772 290502941 /nfs/dbraw/zinc/50/29/41/290502941.db2.gz WOFLSJQXFQUYIO-WNZFAQLISA-N 2 0 250.430 2.790 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(CC)c1 ZINC000568033730 290517075 /nfs/dbraw/zinc/51/70/75/290517075.db2.gz XPYHTHMWNNZJCZ-KRWDZBQOSA-N 2 0 278.440 2.695 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568782337 290570582 /nfs/dbraw/zinc/57/05/82/290570582.db2.gz NBSUCQOKNNROKM-DZKIICNBSA-N 2 0 274.408 2.932 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000569212027 290591473 /nfs/dbraw/zinc/59/14/73/290591473.db2.gz LIDGKHDIUSLCED-GDBMZVCRSA-N 2 0 299.418 2.851 20 0 CFADRP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000423379872 293168715 /nfs/dbraw/zinc/16/87/15/293168715.db2.gz YBIVKPDPMBUDGD-KKUMJFAQSA-N 2 0 282.815 2.887 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CCC[NH2+]1 ZINC000414956193 293294509 /nfs/dbraw/zinc/29/45/09/293294509.db2.gz OIFDHHIKSSWSKQ-SQWLQELKSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CCC[NH2+]1 ZINC000414956187 293294524 /nfs/dbraw/zinc/29/45/24/293294524.db2.gz OIFDHHIKSSWSKQ-IIAWOOMASA-N 2 0 268.445 2.559 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423545938 293440154 /nfs/dbraw/zinc/44/01/54/293440154.db2.gz PPRUBXQGZCRFJD-QVHKTLOISA-N 2 0 291.464 2.807 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089230 293622725 /nfs/dbraw/zinc/62/27/25/293622725.db2.gz YOCHIBYTRBSYLW-FXUDXRNXSA-N 2 0 268.445 2.844 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000129061695 294661163 /nfs/dbraw/zinc/66/11/63/294661163.db2.gz JXERAEYOCYDIIW-CXQJBGSLSA-N 2 0 264.335 2.839 20 0 CFADRP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423192292 294728656 /nfs/dbraw/zinc/72/86/56/294728656.db2.gz UKMQMXNXEHNINV-UXXRCYHCSA-N 2 0 254.393 2.777 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1F ZINC000423432149 295024681 /nfs/dbraw/zinc/02/46/81/295024681.db2.gz JCVLZARCOZFQFS-HZUKXOBISA-N 2 0 292.398 2.873 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334876018 295215521 /nfs/dbraw/zinc/21/55/21/295215521.db2.gz RKZIVOQXFMYSMO-KWOWKCNFSA-N 2 0 292.467 2.831 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1OC ZINC000423407397 295237772 /nfs/dbraw/zinc/23/77/72/295237772.db2.gz VSQOKJDLYSFJRK-CORIIIEPSA-N 2 0 292.423 2.661 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422811520 295267219 /nfs/dbraw/zinc/26/72/19/295267219.db2.gz PBNDRGYSJFULDP-ZBFHGGJFSA-N 2 0 258.409 2.825 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897099 295268414 /nfs/dbraw/zinc/26/84/14/295268414.db2.gz IZJGXJPWXQBXEK-CZUORRHYSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998351 295269048 /nfs/dbraw/zinc/26/90/48/295269048.db2.gz PFRXSRLPTUHMTH-IAQYHMDHSA-N 2 0 264.800 2.998 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423490265 295276362 /nfs/dbraw/zinc/27/63/62/295276362.db2.gz HQBXFJQLCAWEOG-HEHGZKQESA-N 2 0 290.407 2.626 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000332300146 295306546 /nfs/dbraw/zinc/30/65/46/295306546.db2.gz NCJGXGJXGNXERO-JMSVASOKSA-N 2 0 260.381 2.629 20 0 CFADRP COc1cccc([C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000094070076 295313002 /nfs/dbraw/zinc/31/30/02/295313002.db2.gz TZJAVVSALJWCIC-CQSZACIVSA-N 2 0 292.423 2.586 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000334864399 295319266 /nfs/dbraw/zinc/31/92/66/295319266.db2.gz DKFXJZXLEZEZKE-CVEARBPZSA-N 2 0 294.826 2.668 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H](C)C2C[NH2+]C2)CCCC1 ZINC000422743647 295357740 /nfs/dbraw/zinc/35/77/40/295357740.db2.gz URWQURXCWDGPML-CQSZACIVSA-N 2 0 288.435 2.705 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423542410 295381501 /nfs/dbraw/zinc/38/15/01/295381501.db2.gz AYCYVOHZYBIPQL-CYBMUJFWSA-N 2 0 260.381 2.656 20 0 CFADRP COc1ncccc1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423143314 295465485 /nfs/dbraw/zinc/46/54/85/295465485.db2.gz WZJSFKQRZBHUGV-GOEBONIOSA-N 2 0 291.439 2.533 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cnccc2C)CC[NH+](C)CC1 ZINC000353609327 295583321 /nfs/dbraw/zinc/58/33/21/295583321.db2.gz KJWHRKLIIRNEQC-CQSZACIVSA-N 2 0 293.480 2.868 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414810609 298379381 /nfs/dbraw/zinc/37/93/81/298379381.db2.gz VKAURDWNKORQBU-MXWKQRLJSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423030228 298392383 /nfs/dbraw/zinc/39/23/83/298392383.db2.gz VSKVAPAESYDYMK-MGPQQGTHSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000422902309 298398985 /nfs/dbraw/zinc/39/89/85/298398985.db2.gz MSOFCTCVFKULMD-OIISXLGYSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414817811 299004448 /nfs/dbraw/zinc/00/44/48/299004448.db2.gz TXSQKZVPWFGCFI-HNONPPJISA-N 3 0 287.451 2.717 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263274215 299005570 /nfs/dbraw/zinc/00/55/70/299005570.db2.gz SPEZXEWKUYPJIG-PEYYIBSZSA-N 2 0 275.396 2.552 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415087756 302107156 /nfs/dbraw/zinc/10/71/56/302107156.db2.gz WQVQOHWCWDIGSL-CVEARBPZSA-N 2 0 276.424 2.742 20 0 CFADRP Cc1c[nH+]ccc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376683703 302386710 /nfs/dbraw/zinc/38/67/10/302386710.db2.gz ZAXYKBDXBGFAJG-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP Cc1c[nH+]ccc1N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000366428203 302386767 /nfs/dbraw/zinc/38/67/67/302386767.db2.gz HWWUYBZMFNHCEL-AWEZNQCLSA-N 2 0 259.397 2.843 20 0 CFADRP Cc1c[nH+]ccc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488764446 302386973 /nfs/dbraw/zinc/38/69/73/302386973.db2.gz LRYKAXKVEANEGU-HEHGZKQESA-N 2 0 259.397 2.557 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000423166793 303371142 /nfs/dbraw/zinc/37/11/42/303371142.db2.gz DHBNZUGADKXNQQ-UHFFFAOYSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000422896737 303406827 /nfs/dbraw/zinc/40/68/27/303406827.db2.gz AULHCJLIKCRGCJ-MHORFTMASA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H](C)C1CCCCC1 ZINC000162525435 322365783 /nfs/dbraw/zinc/36/57/83/322365783.db2.gz GVUKIXKJXXHITP-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP COCC[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000163596708 322377420 /nfs/dbraw/zinc/37/74/20/322377420.db2.gz YBQITYCJNIZNAY-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnn(C)c1 ZINC000164626369 322383145 /nfs/dbraw/zinc/38/31/45/322383145.db2.gz HWSYJDBCKVLRJZ-HNNXBMFYSA-N 2 0 278.444 2.727 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000569823759 322499039 /nfs/dbraw/zinc/49/90/39/322499039.db2.gz ACPHFDYJUOXPKQ-WCXIOVBPSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOCC(F)(F)F ZINC000570035603 322510370 /nfs/dbraw/zinc/51/03/70/322510370.db2.gz LUKBQFRJUZGGHN-CHWSQXEVSA-N 2 0 296.377 2.856 20 0 CFADRP CCn1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)nc2ccccc21 ZINC000570663837 322544542 /nfs/dbraw/zinc/54/45/42/322544542.db2.gz GFOFOKSPTBOOEW-GOEBONIOSA-N 2 0 298.434 2.534 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000570708608 322546984 /nfs/dbraw/zinc/54/69/84/322546984.db2.gz FUEJNZQBNFZDSX-WFASDCNBSA-N 2 0 258.365 2.911 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2CCCC2)c1 ZINC000570836040 322554542 /nfs/dbraw/zinc/55/45/42/322554542.db2.gz AUQLFMBVAXDFKT-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP Fc1cccc2c1SCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000571908109 322600506 /nfs/dbraw/zinc/60/05/06/322600506.db2.gz DRGQRFFJZPWJFL-AWEZNQCLSA-N 2 0 280.412 2.952 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000573020179 322641438 /nfs/dbraw/zinc/64/14/38/322641438.db2.gz BXUSEQZZWGHUPT-CKENWRIRSA-N 2 0 274.408 2.799 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3c(F)cccc32)C1 ZINC000573506982 322659034 /nfs/dbraw/zinc/65/90/34/322659034.db2.gz YGYADPOTIXYCRA-JMSVASOKSA-N 2 0 278.371 2.899 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000574028991 322677821 /nfs/dbraw/zinc/67/78/21/322677821.db2.gz LLGADNBVCWUDML-DLBZAZTESA-N 2 0 290.451 2.737 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000574071021 322680001 /nfs/dbraw/zinc/68/00/01/322680001.db2.gz NZEJQLJLAGUUAK-WNKDZCFJSA-N 2 0 280.456 2.512 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000574442084 322692861 /nfs/dbraw/zinc/69/28/61/322692861.db2.gz UIOVEQSBVFRQKI-OHFALNGGSA-N 2 0 273.424 2.825 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000574741921 322704056 /nfs/dbraw/zinc/70/40/56/322704056.db2.gz GZKAODXQNQWGRH-KRWDZBQOSA-N 2 0 297.402 2.825 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000574756045 322704642 /nfs/dbraw/zinc/70/46/42/322704642.db2.gz KXPHPWAJOVSLKT-AWEZNQCLSA-N 2 0 296.418 2.703 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000575002554 322714703 /nfs/dbraw/zinc/71/47/03/322714703.db2.gz OSGJTNHMDGTCLD-KNPMLCFXSA-N 2 0 296.361 2.654 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000575151471 322720320 /nfs/dbraw/zinc/72/03/20/322720320.db2.gz JOEJSYMNPKAISX-JKSUJKDBSA-N 2 0 281.488 2.939 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000575248584 322723254 /nfs/dbraw/zinc/72/32/54/322723254.db2.gz LYYUUGZHDQORJT-WBVHZDCISA-N 2 0 292.467 2.546 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000575774568 322729138 /nfs/dbraw/zinc/72/91/38/322729138.db2.gz DAAOALUURBKSPI-IHXNAJNRSA-N 2 0 297.402 2.546 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000575914153 322733763 /nfs/dbraw/zinc/73/37/63/322733763.db2.gz IXRWREJLTBCHMC-OWCLPIDISA-N 2 0 268.445 2.559 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000181698884 323821199 /nfs/dbraw/zinc/82/11/99/323821199.db2.gz UVJGFVRODLFXNP-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](OCC)C2(C)C)CC1 ZINC000181695817 323821245 /nfs/dbraw/zinc/82/12/45/323821245.db2.gz WUJVDTBZLXLUNI-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000181700663 323822282 /nfs/dbraw/zinc/82/22/82/323822282.db2.gz AIHJFEJWSCTFBD-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000345161413 324134552 /nfs/dbraw/zinc/13/45/52/324134552.db2.gz QZRLXOXPFHPUME-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2csc(C)n2)[C@@H](C)C1 ZINC000348260945 324142531 /nfs/dbraw/zinc/14/25/31/324142531.db2.gz FKULHJZWZHHEOX-WFASDCNBSA-N 2 0 281.469 2.656 20 0 CFADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000349428793 324174295 /nfs/dbraw/zinc/17/42/95/324174295.db2.gz ZOCNQAIPEKFOKF-CQSXVVRXSA-N 2 0 294.483 2.946 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000381524261 324420738 /nfs/dbraw/zinc/42/07/38/324420738.db2.gz NMPIKTIOJFCEML-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578143210 324821153 /nfs/dbraw/zinc/82/11/53/324821153.db2.gz GALBGXIHVCNIEX-VLXAULBPSA-N 2 0 280.387 2.761 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2CCC(COC)CC2)CC1 ZINC000578147393 324821716 /nfs/dbraw/zinc/82/17/16/324821716.db2.gz ZEHGOUAQOYIITN-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000579606453 324965740 /nfs/dbraw/zinc/96/57/40/324965740.db2.gz POWCXTWMTXFSDQ-IACUBPJLSA-N 2 0 295.452 2.602 20 0 CFADRP FC(F)Oc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000580062386 325002995 /nfs/dbraw/zinc/00/29/95/325002995.db2.gz RRJPUGSXRGITCS-PBWFPOADSA-N 2 0 296.361 2.703 20 0 CFADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000580259443 325019797 /nfs/dbraw/zinc/01/97/97/325019797.db2.gz IHPYKUCKEZWSEI-ZDUSSCGKSA-N 2 0 252.377 2.813 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCCC2(C)C)CC[NH2+]CC1 ZINC000580289915 325022129 /nfs/dbraw/zinc/02/21/29/325022129.db2.gz KLJNIBQTDPWOPF-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000580372513 325030062 /nfs/dbraw/zinc/03/00/62/325030062.db2.gz UHAQMERUCWKCPA-ROUUACIJSA-N 2 0 272.436 2.864 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(n2)CCC3)[C@H](C)C1 ZINC000580412103 325033069 /nfs/dbraw/zinc/03/30/69/325033069.db2.gz VDGLTVFMGRQZAV-KDOFPFPSSA-N 2 0 287.451 2.732 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000580946204 325076486 /nfs/dbraw/zinc/07/64/86/325076486.db2.gz KRDUPXUQQOCZGE-AWEZNQCLSA-N 2 0 291.439 2.610 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000581125842 325092208 /nfs/dbraw/zinc/09/22/08/325092208.db2.gz OMQCYMYOMFBIMR-CHWSQXEVSA-N 2 0 293.480 2.814 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000581337231 325112207 /nfs/dbraw/zinc/11/22/07/325112207.db2.gz ARPPSAFLWHWXFK-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581357420 325114067 /nfs/dbraw/zinc/11/40/67/325114067.db2.gz LDPJVPIOOIPERJ-GWCFXTLKSA-N 2 0 254.324 2.712 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000581365494 325114395 /nfs/dbraw/zinc/11/43/95/325114395.db2.gz UHCLWNIVKBRWEB-KRWDZBQOSA-N 2 0 282.472 2.639 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)CC(C)C ZINC000581559433 325132903 /nfs/dbraw/zinc/13/29/03/325132903.db2.gz ZLPYLVZYRQJUMK-XHSDSOJGSA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)(C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCCC1 ZINC000581919002 325159086 /nfs/dbraw/zinc/15/90/86/325159086.db2.gz HACJPAFSRXFQOT-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CCn1c(C[NH2+][C@H](C)CCCC[NH3+])nc2ccccc21 ZINC000581931365 325160389 /nfs/dbraw/zinc/16/03/89/325160389.db2.gz QNXYMEOOPRUDHW-CYBMUJFWSA-N 2 0 274.412 2.663 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C1 ZINC000582192094 325185302 /nfs/dbraw/zinc/18/53/02/325185302.db2.gz YDZQQQNGSOHIAI-CABCVRRESA-N 2 0 262.372 2.717 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc(C4CC4)s3)C[C@@H]21 ZINC000582666515 325223943 /nfs/dbraw/zinc/22/39/43/325223943.db2.gz RYTUXUGZWSONJC-KWCYVHTRSA-N 2 0 277.437 2.580 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000582713263 325227952 /nfs/dbraw/zinc/22/79/52/325227952.db2.gz MDKVWZCKKKTGDD-MSOLQXFVSA-N 2 0 283.419 2.571 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@@H]1[NH3+])CC3 ZINC000582958628 325248007 /nfs/dbraw/zinc/24/80/07/325248007.db2.gz JLKLZHOPULHOIJ-MRAWALMUSA-N 2 0 283.419 2.803 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000583129431 325262105 /nfs/dbraw/zinc/26/21/05/325262105.db2.gz IBKUBDNOPACBLM-AWEZNQCLSA-N 2 0 266.816 2.814 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000583345069 325280177 /nfs/dbraw/zinc/28/01/77/325280177.db2.gz NRAXNMAARVFAHG-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000583434780 325286613 /nfs/dbraw/zinc/28/66/13/325286613.db2.gz WQAKVFOHSJTGFP-VNHYZAJKSA-N 2 0 277.412 2.749 20 0 CFADRP c1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)nc2c1CCC2 ZINC000583485318 325290691 /nfs/dbraw/zinc/29/06/91/325290691.db2.gz CUBUHCTXVSJDEH-MRXNPFEDSA-N 2 0 299.462 2.878 20 0 CFADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000583564866 325296732 /nfs/dbraw/zinc/29/67/32/325296732.db2.gz IDETXLUDHSSATN-UHFFFAOYSA-N 2 0 270.376 2.834 20 0 CFADRP CC(C)[NH2+]CCCN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000583806556 325311350 /nfs/dbraw/zinc/31/13/50/325311350.db2.gz YFPRHXVAUKCPAB-AEFFLSMTSA-N 2 0 289.467 2.627 20 0 CFADRP CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000583806557 325311474 /nfs/dbraw/zinc/31/14/74/325311474.db2.gz YFPRHXVAUKCPAB-FUHWJXTLSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC(C)(C)C1 ZINC000583928883 325319494 /nfs/dbraw/zinc/31/94/94/325319494.db2.gz WUKWEVYRVGSXBO-BBRMVZONSA-N 2 0 260.425 2.971 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584295170 325344413 /nfs/dbraw/zinc/34/44/13/325344413.db2.gz SWESMEAWRGVJHC-ZIAGYGMSSA-N 2 0 292.398 2.656 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000584301750 325345143 /nfs/dbraw/zinc/34/51/43/325345143.db2.gz CPTMOXLRNWPAGS-NEPJUHHUSA-N 2 0 281.469 2.843 20 0 CFADRP Cc1ccc(F)cc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001240919822 782109390 /nfs/dbraw/zinc/10/93/90/782109390.db2.gz GPHVZPNAJDBXMD-UHFFFAOYSA-N 2 0 271.339 2.606 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCCSC1)[NH+]1CCCCC1 ZINC000753592686 574405688 /nfs/dbraw/zinc/40/56/88/574405688.db2.gz ZUVIOEISZOAYMJ-ZIAGYGMSSA-N 2 0 256.459 2.736 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cn1 ZINC000423197905 533755881 /nfs/dbraw/zinc/75/58/81/533755881.db2.gz BWUQMMTVENGVIC-CQSZACIVSA-N 2 0 291.439 2.663 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000423188794 533756753 /nfs/dbraw/zinc/75/67/53/533756753.db2.gz QJSVJEMXTSKPON-LMWOUKEDSA-N 2 0 262.397 2.514 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1Cl ZINC000423134959 533769679 /nfs/dbraw/zinc/76/96/79/533769679.db2.gz NDWBZLASUJXVQF-IUODEOHRSA-N 2 0 296.842 2.869 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000414877327 533772116 /nfs/dbraw/zinc/77/21/16/533772116.db2.gz MKSFUGXZVGYRNP-LBPRGKRZSA-N 2 0 273.355 2.572 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423296483 533772994 /nfs/dbraw/zinc/77/29/94/533772994.db2.gz HADHNQZMRDOUQF-TVQRCGJNSA-N 2 0 288.313 2.757 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423458348 533775086 /nfs/dbraw/zinc/77/50/86/533775086.db2.gz JQJBTNABBRDKCY-GUTXKFCHSA-N 2 0 262.397 2.863 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422711111 533776317 /nfs/dbraw/zinc/77/63/17/533776317.db2.gz MXDQTYPXZQPPCQ-GUTXKFCHSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423311161 533771380 /nfs/dbraw/zinc/77/13/80/533771380.db2.gz STWIBWCLKZQYQN-QWRGUYRKSA-N 2 0 274.330 2.821 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422711119 533777527 /nfs/dbraw/zinc/77/75/27/533777527.db2.gz MXDQTYPXZQPPCQ-YDHLFZDLSA-N 2 0 262.397 2.734 20 0 CFADRP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1 ZINC000414710761 533783214 /nfs/dbraw/zinc/78/32/14/533783214.db2.gz SNIRNIPSCUBRMS-UONOGXRCSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@H]([NH2+]C/C=C/c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423165031 533789107 /nfs/dbraw/zinc/78/91/07/533789107.db2.gz XPGNTYVWQXZVBQ-VUDBWIFFSA-N 2 0 295.224 2.660 20 0 CFADRP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414844797 533789122 /nfs/dbraw/zinc/78/91/22/533789122.db2.gz CVEOXAIMQLXYDZ-XVEJUIQISA-N 2 0 262.372 2.817 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422873477 533797327 /nfs/dbraw/zinc/79/73/27/533797327.db2.gz ANDBFAQHMCIQKC-XMTFNYHQSA-N 3 0 295.515 2.722 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423166172 533805398 /nfs/dbraw/zinc/80/53/98/533805398.db2.gz QTUJNTBCPYVPHU-OKZBNKHCSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@@H](C[NH3+])NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423363164 533805692 /nfs/dbraw/zinc/80/56/92/533805692.db2.gz BNVSMYGLLDETTL-ZDUSSCGKSA-N 2 0 269.477 2.602 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423166173 533806550 /nfs/dbraw/zinc/80/65/50/533806550.db2.gz QTUJNTBCPYVPHU-RCCFBDPRSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000422814931 533803094 /nfs/dbraw/zinc/80/30/94/533803094.db2.gz WMBDNGDEOTZQBT-DCBWTQNWSA-N 2 0 276.380 2.583 20 0 CFADRP CC[C@@H](C)[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305168279 522327055 /nfs/dbraw/zinc/32/70/55/522327055.db2.gz ZAIIKAMCBQAYAZ-PBHICJAKSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2cccc(F)c2)CC1 ZINC000422936329 533843050 /nfs/dbraw/zinc/84/30/50/533843050.db2.gz BKTCMCAGUFJAAM-GFCCVEGCSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)Oc1cccc(F)c1 ZINC000422781126 533844946 /nfs/dbraw/zinc/84/49/46/533844946.db2.gz DSKWUVAFPLESJD-CHWSQXEVSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2ccccc2n1 ZINC000422704352 533848622 /nfs/dbraw/zinc/84/86/22/533848622.db2.gz PLDQHNJVCSCPFQ-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@H]([NH2+]CCSCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414824634 533863975 /nfs/dbraw/zinc/86/39/75/533863975.db2.gz RAJAJKWQLCZDBJ-GOEBONIOSA-N 2 0 278.465 2.898 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000423246484 533868854 /nfs/dbraw/zinc/86/88/54/533868854.db2.gz KENCFLGAKQCYBH-NWDGAFQWSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422951824 533868023 /nfs/dbraw/zinc/86/80/23/533868023.db2.gz AHACPJWOJQOYBE-LLVKDONJSA-N 2 0 290.329 2.801 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423138471 533871677 /nfs/dbraw/zinc/87/16/77/533871677.db2.gz SVYDHTHUEFOSJC-OLZOCXBDSA-N 2 0 290.386 2.789 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423015378 533873759 /nfs/dbraw/zinc/87/37/59/533873759.db2.gz KOTNKXNSHJNCAE-VCTAVGKDSA-N 2 0 284.350 2.512 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423130826 533876412 /nfs/dbraw/zinc/87/64/12/533876412.db2.gz SESPGWSAUBKXSU-VNQPRFMTSA-N 2 0 276.424 2.950 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414876736 533903114 /nfs/dbraw/zinc/90/31/14/533903114.db2.gz DWEQRZOHQGAAFU-SECBINFHSA-N 2 0 267.423 2.699 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414884316 533900793 /nfs/dbraw/zinc/90/07/93/533900793.db2.gz NQUQMQCXVOGHHL-CQSZACIVSA-N 2 0 294.402 2.852 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@H]1C[C@H]1C ZINC000414165897 533936773 /nfs/dbraw/zinc/93/67/73/533936773.db2.gz QILAVVXCHTVNMY-YCPHGPKFSA-N 2 0 291.439 2.546 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422767586 533952297 /nfs/dbraw/zinc/95/22/97/533952297.db2.gz SXWUHPZWNNAELV-SYQHCUMBSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414823808 533991470 /nfs/dbraw/zinc/99/14/70/533991470.db2.gz DYLRSFKVAYVIIT-NVXWUHKLSA-N 2 0 260.425 2.845 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422853922 534000735 /nfs/dbraw/zinc/00/07/35/534000735.db2.gz ZMASYMXZHPXKMF-CQSZACIVSA-N 2 0 276.424 2.834 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)C1C[NH2+]C1 ZINC000423096964 534011411 /nfs/dbraw/zinc/01/14/11/534011411.db2.gz QDXGRVMRKJEACB-GHJWDPDVSA-N 2 0 262.372 2.659 20 0 CFADRP COc1cc(F)cc(C[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423159048 534013008 /nfs/dbraw/zinc/01/30/08/534013008.db2.gz FBZTXGCWICBDTC-VEAWUBTESA-N 2 0 294.414 2.872 20 0 CFADRP COc1cc(F)cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423157085 534013454 /nfs/dbraw/zinc/01/34/54/534013454.db2.gz AEFOVOVSWPQFAP-YGOACVGDSA-N 2 0 292.398 2.638 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414876259 534048684 /nfs/dbraw/zinc/04/86/84/534048684.db2.gz LBKCJYSKVFAVGC-CQSZACIVSA-N 2 0 294.402 2.710 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414839665 534057151 /nfs/dbraw/zinc/05/71/51/534057151.db2.gz MEPWMRYHUHBAAW-WBVHZDCISA-N 2 0 260.425 2.845 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1Br ZINC000414834169 534059275 /nfs/dbraw/zinc/05/92/75/534059275.db2.gz QJICPMZQJCAMFB-GFCCVEGCSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000422793227 534069447 /nfs/dbraw/zinc/06/94/47/534069447.db2.gz WRTGUKMWQJGBHS-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422943392 534069656 /nfs/dbraw/zinc/06/96/56/534069656.db2.gz KFUROFSOGSSNSU-RISCZKNCSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422920662 534072412 /nfs/dbraw/zinc/07/24/12/534072412.db2.gz MNMWBMKSIDJNFU-BSWAZPDLSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422834571 534073881 /nfs/dbraw/zinc/07/38/81/534073881.db2.gz HWAMTNDYPRZINH-KBRIMQKVSA-N 2 0 290.476 2.995 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])CC1CCOCC1 ZINC000415014545 534076390 /nfs/dbraw/zinc/07/63/90/534076390.db2.gz MOXSSRDIJVOZQZ-KGLIPLIRSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CC[NH3+])c1cccc(Br)c1 ZINC000414880926 534077096 /nfs/dbraw/zinc/07/70/96/534077096.db2.gz KMCNKJHHNIFIJR-QWRGUYRKSA-N 2 0 285.229 2.880 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1Br ZINC000415026548 534078073 /nfs/dbraw/zinc/07/80/73/534078073.db2.gz ULZWVLGHICNPTP-NSHDSACASA-N 2 0 285.229 2.975 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534600 534087187 /nfs/dbraw/zinc/08/71/87/534087187.db2.gz ALEXIEBRUCHBKE-DYVFJYSZSA-N 2 0 256.393 2.819 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])ccc2[nH]1 ZINC000423102258 534092400 /nfs/dbraw/zinc/09/24/00/534092400.db2.gz DSLHNZYXBLKTBJ-ZFWWWQNUSA-N 2 0 257.381 2.693 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422758460 534104740 /nfs/dbraw/zinc/10/47/40/534104740.db2.gz DVZOQLXSUZHAPA-JKSUJKDBSA-N 2 0 278.465 2.945 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422761167 534104915 /nfs/dbraw/zinc/10/49/15/534104915.db2.gz HIMGCXVJSDSNBL-KGLIPLIRSA-N 2 0 266.454 2.944 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423537337 534108259 /nfs/dbraw/zinc/10/82/59/534108259.db2.gz JWUJFEQUHXALMG-QFBILLFUSA-N 2 0 299.462 2.721 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000425339729 534117052 /nfs/dbraw/zinc/11/70/52/534117052.db2.gz CVXHSOWLWKJGLT-ZBFHGGJFSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422763522 534123443 /nfs/dbraw/zinc/12/34/43/534123443.db2.gz OUEXXWFCKSIROW-BZZMCLGOSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000414954216 534131800 /nfs/dbraw/zinc/13/18/00/534131800.db2.gz MVDPMCFRWIXHTR-IDCNUPLLSA-N 2 0 287.451 2.552 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423023076 534167206 /nfs/dbraw/zinc/16/72/06/534167206.db2.gz GSAZUUOEIJEBGG-ZBFHGGJFSA-N 2 0 261.413 2.596 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423119548 534208410 /nfs/dbraw/zinc/20/84/10/534208410.db2.gz DUXRHCGGTDKKBM-MWDXBVQZSA-N 2 0 282.472 2.686 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])co2)cc1 ZINC000422875695 534212918 /nfs/dbraw/zinc/21/29/18/534212918.db2.gz CUXXDTXMUADYLE-ZIAGYGMSSA-N 2 0 287.407 2.908 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])s2)o1 ZINC000414801102 534217294 /nfs/dbraw/zinc/21/72/94/534217294.db2.gz TUWFFAGXYOKRQI-DGCLKSJQSA-N 2 0 291.420 2.929 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763383 534247321 /nfs/dbraw/zinc/24/73/21/534247321.db2.gz BTFIRWIXZZLARE-RYQLBKOJSA-N 2 0 272.436 2.797 20 0 CFADRP Brc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000168707562 518212634 /nfs/dbraw/zinc/21/26/34/518212634.db2.gz XWEXYWWIWWIUOR-ZDUSSCGKSA-N 2 0 283.213 2.681 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193977278 518383746 /nfs/dbraw/zinc/38/37/46/518383746.db2.gz DNZKGKIBBFYMQC-IXDOHACOSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300694989 519211754 /nfs/dbraw/zinc/21/17/54/519211754.db2.gz CUFQFEZQYNMAFS-ARFHVFGLSA-N 2 0 282.472 2.686 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300694990 519211814 /nfs/dbraw/zinc/21/18/14/519211814.db2.gz CUFQFEZQYNMAFS-BZUAXINKSA-N 2 0 282.472 2.686 20 0 CFADRP CC(C)C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000157286687 519353427 /nfs/dbraw/zinc/35/34/27/519353427.db2.gz KAHYWBBZKBVBGH-XOKHGSTOSA-N 2 0 275.440 2.697 20 0 CFADRP CC(C)CCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000364852863 519641207 /nfs/dbraw/zinc/64/12/07/519641207.db2.gz ITGHBKIDXZCFHM-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCOC[C@H]1C)C(C)C ZINC000192613573 519643739 /nfs/dbraw/zinc/64/37/39/519643739.db2.gz FPUSKEKMDTYBOP-HUUCEWRRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(=O)NC1CCC([NH2+]CCC[NH+](C(C)C)C(C)C)CC1 ZINC000161613585 519644986 /nfs/dbraw/zinc/64/49/86/519644986.db2.gz ODIWQHJMRUSMDF-UHFFFAOYSA-N 2 0 297.487 2.532 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000157233823 519648600 /nfs/dbraw/zinc/64/86/00/519648600.db2.gz HEKOLAHGQNPKMO-DLBZAZTESA-N 2 0 275.440 2.840 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000163576560 519653559 /nfs/dbraw/zinc/65/35/59/519653559.db2.gz IIHOZJJUYDQXRN-FUHWJXTLSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCC2CCCCC2)CC1 ZINC000361580971 519673547 /nfs/dbraw/zinc/67/35/47/519673547.db2.gz DURLJOHNHQLPHJ-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)c2ccco2)CC1 ZINC000191464921 519681020 /nfs/dbraw/zinc/68/10/20/519681020.db2.gz FBGLHTKDUFCQKC-MRXNPFEDSA-N 2 0 293.455 2.689 20 0 CFADRP CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000361284887 519684465 /nfs/dbraw/zinc/68/44/65/519684465.db2.gz FLWLFGRVUOQVPT-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)CC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000361289461 519692457 /nfs/dbraw/zinc/69/24/57/519692457.db2.gz SGHNWZZSXVULNI-CVEARBPZSA-N 2 0 270.461 2.590 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414834194 534445066 /nfs/dbraw/zinc/44/50/66/534445066.db2.gz QLPCRLABRBPDTC-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051692721 519746954 /nfs/dbraw/zinc/74/69/54/519746954.db2.gz RRMNABTZZXIUGX-VCANKDNSSA-N 2 0 275.396 2.566 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000312888684 519747308 /nfs/dbraw/zinc/74/73/08/519747308.db2.gz HVWBMRYIALDZGI-QWHCGFSZSA-N 2 0 277.412 2.813 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000085401475 519761724 /nfs/dbraw/zinc/76/17/24/519761724.db2.gz QAJBBDAHQKEZIJ-CABCVRRESA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000339408195 519796364 /nfs/dbraw/zinc/79/63/64/519796364.db2.gz RGRZNJZOESTURZ-AWEZNQCLSA-N 2 0 292.452 2.943 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000339405429 519796384 /nfs/dbraw/zinc/79/63/84/519796384.db2.gz CHCCAYNRVHOUFJ-KRWDZBQOSA-N 2 0 290.451 2.859 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346915 519805009 /nfs/dbraw/zinc/80/50/09/519805009.db2.gz IDFSHIWXRWVRJD-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC000070361851 519827723 /nfs/dbraw/zinc/82/77/23/519827723.db2.gz DMGPUGXXYQZIMD-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000340232679 519843124 /nfs/dbraw/zinc/84/31/24/519843124.db2.gz YKYYWFQVVPPBBO-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000422956114 534452908 /nfs/dbraw/zinc/45/29/08/534452908.db2.gz KQVWCTQWUFDPGE-YSVLISHTSA-N 2 0 258.409 2.960 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000414824117 534461054 /nfs/dbraw/zinc/46/10/54/534461054.db2.gz AFMURPGQZULKPF-ISUDXETCSA-N 2 0 266.335 2.567 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c2ncccc12 ZINC000414901002 534465056 /nfs/dbraw/zinc/46/50/56/534465056.db2.gz FLJRQGYIFGSZJK-CYBMUJFWSA-N 2 0 273.355 2.606 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C12CCCCC2 ZINC000087294726 520423728 /nfs/dbraw/zinc/42/37/28/520423728.db2.gz QCVUXCWYQMVDKJ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H](C)OC)CC1 ZINC000182764194 520590151 /nfs/dbraw/zinc/59/01/51/520590151.db2.gz PIHLWIWUEQDYQN-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000365193291 520607806 /nfs/dbraw/zinc/60/78/06/520607806.db2.gz UUUNEWNUZQJJOQ-DLBZAZTESA-N 2 0 282.472 2.857 20 0 CFADRP c1cnc2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cc2c1 ZINC000414846416 534505186 /nfs/dbraw/zinc/50/51/86/534505186.db2.gz HFCSIUDSPOZSDS-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000071372528 520631582 /nfs/dbraw/zinc/63/15/82/520631582.db2.gz WXKWTKATRUNNHK-OAHLLOKOSA-N 2 0 288.439 2.934 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000423216374 534511583 /nfs/dbraw/zinc/51/15/83/534511583.db2.gz RUVXQKJGKTXTTD-INMHGKMJSA-N 2 0 273.424 2.697 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H](C)OC ZINC000361927295 520721743 /nfs/dbraw/zinc/72/17/43/520721743.db2.gz SOALPVAZUJURMM-WCVJEAGWSA-N 2 0 270.461 2.900 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnc(C)nc2)cc1 ZINC000339290461 520750052 /nfs/dbraw/zinc/75/00/52/520750052.db2.gz OPQHCCKTUWXNQM-UHFFFAOYSA-N 2 0 298.434 2.917 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccccc1 ZINC000233295780 520788205 /nfs/dbraw/zinc/78/82/05/520788205.db2.gz JNMMXXKDPVYDIT-JKSUJKDBSA-N 2 0 264.413 2.871 20 0 CFADRP CCC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1ccccc1 ZINC000233296186 520793802 /nfs/dbraw/zinc/79/38/02/520793802.db2.gz JNMMXXKDPVYDIT-HZPDHXFCSA-N 2 0 264.413 2.871 20 0 CFADRP CC1CC[NH+](CCN(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000340819668 521007420 /nfs/dbraw/zinc/00/74/20/521007420.db2.gz KEUNYWCNUPBUAZ-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP CC1CC[NH+](CCCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157279306 521008611 /nfs/dbraw/zinc/00/86/11/521008611.db2.gz JURCRWAYEARUAB-ROUUACIJSA-N 2 0 287.451 2.843 20 0 CFADRP CCCC[C@H](CC)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000069378365 521181234 /nfs/dbraw/zinc/18/12/34/521181234.db2.gz WJKKKHXWJAFJSU-DLBZAZTESA-N 2 0 283.504 2.817 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415051765 534554694 /nfs/dbraw/zinc/55/46/94/534554694.db2.gz ZRIXWSPNFYPUEG-CZUORRHYSA-N 2 0 284.407 2.602 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236929900 521617962 /nfs/dbraw/zinc/61/79/62/521617962.db2.gz PDORYKRORLDOIW-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000163881866 521647269 /nfs/dbraw/zinc/64/72/69/521647269.db2.gz NBGKYEKGNKCJLV-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338692865 521681949 /nfs/dbraw/zinc/68/19/49/521681949.db2.gz KDAVUZDSHQUICN-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000155712339 521694501 /nfs/dbraw/zinc/69/45/01/521694501.db2.gz IGFPFIXHJMEGNT-HUUCEWRRSA-N 2 0 293.430 2.502 20 0 CFADRP CCSCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000167276989 521703835 /nfs/dbraw/zinc/70/38/35/521703835.db2.gz KDELZHZQEQOBCC-UHFFFAOYSA-N 2 0 258.475 2.982 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)C2CC2)[C@H](C)C1 ZINC000361499022 521708239 /nfs/dbraw/zinc/70/82/39/521708239.db2.gz XDCWBUPCNVHPIF-OIISXLGYSA-N 2 0 282.472 2.902 20 0 CFADRP CCSCC[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000169225595 521708454 /nfs/dbraw/zinc/70/84/54/521708454.db2.gz JYOPLGSNSYWRMJ-UHFFFAOYSA-N 2 0 266.454 2.851 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000037644069 521717695 /nfs/dbraw/zinc/71/76/95/521717695.db2.gz RSDIAFMSNVDJII-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000422728115 534593776 /nfs/dbraw/zinc/59/37/76/534593776.db2.gz FCQCAMKMSHPJAV-UHFFFAOYSA-N 2 0 271.408 2.818 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000070189825 521985103 /nfs/dbraw/zinc/98/51/03/521985103.db2.gz QPSKRZZLUUPHQD-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP CC[C@H](CCO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166737309 522143698 /nfs/dbraw/zinc/14/36/98/522143698.db2.gz BUJIBXCXRMRFIB-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP [NH3+]CCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423178647 534615925 /nfs/dbraw/zinc/61/59/25/534615925.db2.gz CICYHXSVIPAWAJ-CQSZACIVSA-N 2 0 252.789 2.600 20 0 CFADRP CCc1ncc(C[NH2+]CC2(SC)CC[NH+](C)CC2)s1 ZINC000353215448 522553993 /nfs/dbraw/zinc/55/39/93/522553993.db2.gz DTHOVJOLKIUKTR-UHFFFAOYSA-N 2 0 299.509 2.623 20 0 CFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccs1 ZINC000150970398 522564091 /nfs/dbraw/zinc/56/40/91/522564091.db2.gz UJIUNOJXHGSEEQ-HNNXBMFYSA-N 2 0 295.496 2.815 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000158195969 522581202 /nfs/dbraw/zinc/58/12/02/522581202.db2.gz ZKGQINQTVHIIMW-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP COC1(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCC1 ZINC000339194291 522588063 /nfs/dbraw/zinc/58/80/63/522588063.db2.gz RNAJUQKCXXICNG-YIONKMFJSA-N 2 0 266.429 2.503 20 0 CFADRP COC1(C[N@H+](C)CC2CC[NH+](C)CC2)CCCCC1 ZINC000361556547 522600696 /nfs/dbraw/zinc/60/06/96/522600696.db2.gz IFPGDOGGACINPV-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP COC1(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCCC1 ZINC000319203937 522626448 /nfs/dbraw/zinc/62/64/48/522626448.db2.gz QKEYEDKPDRCCKT-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCOC1 ZINC000361068898 522632969 /nfs/dbraw/zinc/63/29/69/522632969.db2.gz NCERENYAUONPQD-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000361550904 522775831 /nfs/dbraw/zinc/77/58/31/522775831.db2.gz UCWVYEUQGOVAKP-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231669858 522782859 /nfs/dbraw/zinc/78/28/59/522782859.db2.gz WQNYXSOELBOTPV-HNNXBMFYSA-N 2 0 280.387 2.669 20 0 CFADRP CCc1nocc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000339258707 522936530 /nfs/dbraw/zinc/93/65/30/522936530.db2.gz RSOMPFRRAQNVCB-UHFFFAOYSA-N 2 0 279.428 2.983 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000088555260 523042942 /nfs/dbraw/zinc/04/29/42/523042942.db2.gz ZNJKXULBTCFIMB-INIZCTEOSA-N 2 0 262.397 2.536 20 0 CFADRP COCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109892 523141716 /nfs/dbraw/zinc/14/17/16/523141716.db2.gz UWYLAZIFSWCBEB-GOSISDBHSA-N 2 0 290.451 2.867 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423106200 534689630 /nfs/dbraw/zinc/68/96/30/534689630.db2.gz OOQVCJTXUAXRQI-KSZLIROESA-N 2 0 287.451 2.833 20 0 CFADRP CCn1cc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000163088937 523357187 /nfs/dbraw/zinc/35/71/87/523357187.db2.gz UHEIBTFVZGUGKU-QGZVFWFLSA-N 2 0 290.455 2.567 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422776372 534711874 /nfs/dbraw/zinc/71/18/74/534711874.db2.gz DJWYVIZVDCCZCC-CFVMTHIKSA-N 2 0 293.842 2.778 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422814361 534715196 /nfs/dbraw/zinc/71/51/96/534715196.db2.gz UMUWCZJNRPWKIR-HZPDHXFCSA-N 2 0 258.409 2.968 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905685 534716309 /nfs/dbraw/zinc/71/63/09/534716309.db2.gz IRVCKHGYHYIPFV-BMSWRWNDSA-N 2 0 299.462 2.651 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000340699404 523696745 /nfs/dbraw/zinc/69/67/45/523696745.db2.gz AKVMYDBUBFWKJL-GOSISDBHSA-N 2 0 290.451 2.567 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000314374091 523759689 /nfs/dbraw/zinc/75/96/89/523759689.db2.gz RYIITSROZOHHQG-UHFFFAOYSA-N 2 0 290.455 2.596 20 0 CFADRP CCc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc[nH+]1 ZINC000336201554 523797490 /nfs/dbraw/zinc/79/74/90/523797490.db2.gz WHVQDYJUMLENLB-INIZCTEOSA-N 2 0 259.397 2.566 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227328503 523812991 /nfs/dbraw/zinc/81/29/91/523812991.db2.gz ITCRPNOQKZHAET-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC(C)(C)CC1 ZINC000335025982 523822557 /nfs/dbraw/zinc/82/25/57/523822557.db2.gz LRNBQXYYDZAIOS-CYBMUJFWSA-N 2 0 256.459 2.688 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nccs2)C1 ZINC000163015956 523846329 /nfs/dbraw/zinc/84/63/29/523846329.db2.gz LGJNYYXOSIQWJU-KBPBESRZSA-N 2 0 279.453 2.807 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC(C)(C)c3ccccc3)C2)C1 ZINC000366532977 523977162 /nfs/dbraw/zinc/97/71/62/523977162.db2.gz GONGQBPLTDYUBT-GOSISDBHSA-N 2 0 272.436 2.992 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(C)n1 ZINC000423290030 534750506 /nfs/dbraw/zinc/75/05/06/534750506.db2.gz CALLYVGKXPAOHY-NWDGAFQWSA-N 2 0 284.407 2.964 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000234931538 524004919 /nfs/dbraw/zinc/00/49/19/524004919.db2.gz XZMKLRJVXWLWCO-DZGCQCFKSA-N 2 0 262.397 2.515 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193632040 524016459 /nfs/dbraw/zinc/01/64/59/524016459.db2.gz RMUZAZMFEYOFFN-JKIFEVAISA-N 2 0 274.383 2.697 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000157498466 524038060 /nfs/dbraw/zinc/03/80/60/524038060.db2.gz BOINPTPADHADKY-HZPDHXFCSA-N 2 0 273.424 2.595 20 0 CFADRP CN(C)c1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000075645032 524051621 /nfs/dbraw/zinc/05/16/21/524051621.db2.gz UZNVIOREJGBKHA-UHFFFAOYSA-N 2 0 289.467 2.916 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000166063095 524083752 /nfs/dbraw/zinc/08/37/52/524083752.db2.gz UVLYJKSNBKUSMZ-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334980310 524088153 /nfs/dbraw/zinc/08/81/53/524088153.db2.gz MVRBKASDJICMES-PBHICJAKSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000311562014 524177839 /nfs/dbraw/zinc/17/78/39/524177839.db2.gz SFBUPYLMEPMIND-XBVQOTNRSA-N 2 0 258.409 2.849 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000157506054 524268416 /nfs/dbraw/zinc/26/84/16/524268416.db2.gz GYKIMNBNAYEPRA-OAHLLOKOSA-N 2 0 286.423 2.513 20 0 CFADRP C[C@H](C[NH+]1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000262047810 524314068 /nfs/dbraw/zinc/31/40/68/524314068.db2.gz ZFARHVJEGCSAPK-GFCCVEGCSA-N 2 0 250.361 2.600 20 0 CFADRP C[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000339408965 524315067 /nfs/dbraw/zinc/31/50/67/524315067.db2.gz VRWDBNARXZKKSL-CQSZACIVSA-N 2 0 294.414 2.759 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)c21 ZINC000422710893 534777461 /nfs/dbraw/zinc/77/74/61/534777461.db2.gz GJWWEHYYRLTCNS-CZUORRHYSA-N 2 0 285.435 2.997 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c21 ZINC000422710248 534777599 /nfs/dbraw/zinc/77/75/99/534777599.db2.gz FMBMHEZRPUDUOB-CHWSQXEVSA-N 2 0 259.397 2.734 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000334861384 524440129 /nfs/dbraw/zinc/44/01/29/524440129.db2.gz CVHKPQGXOUKISK-HZPDHXFCSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000310932705 524457820 /nfs/dbraw/zinc/45/78/20/524457820.db2.gz VBOJWIZMJALMQL-JTQLQIEISA-N 2 0 258.312 2.505 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000361702907 524497170 /nfs/dbraw/zinc/49/71/70/524497170.db2.gz PEQKUFGIJMWASQ-WOSRLPQWSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000360984132 524503791 /nfs/dbraw/zinc/50/37/91/524503791.db2.gz ZBKLMHKNBUTVRA-UXLLHSPISA-N 2 0 260.425 2.938 20 0 CFADRP C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000163815510 524506602 /nfs/dbraw/zinc/50/66/02/524506602.db2.gz STDOWHVIDAJDNK-OLZOCXBDSA-N 2 0 282.815 2.636 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000157083136 524560147 /nfs/dbraw/zinc/56/01/47/524560147.db2.gz MTBRQQBDBRJGLQ-WFASDCNBSA-N 2 0 266.816 2.812 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000311017273 524583901 /nfs/dbraw/zinc/58/39/01/524583901.db2.gz YHWUIJXAOWOSQL-UWVGGRQHSA-N 2 0 258.312 2.533 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000156657545 524589627 /nfs/dbraw/zinc/58/96/27/524589627.db2.gz DPRRYBGIVLMQLV-GJZGRUSLSA-N 2 0 280.456 2.608 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)cc2cccnc12 ZINC000336052877 524674054 /nfs/dbraw/zinc/67/40/54/524674054.db2.gz DKJSATXXLHZFSW-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc2cccnc12 ZINC000336235396 524702259 /nfs/dbraw/zinc/70/22/59/524702259.db2.gz HLJVDSFICJPTOR-XJKSGUPXSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc2cccnc12 ZINC000334839926 524711557 /nfs/dbraw/zinc/71/15/57/524711557.db2.gz UFQUSVQVCALSTK-UKRRQHHQSA-N 2 0 269.392 2.712 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1F ZINC000192907925 524735939 /nfs/dbraw/zinc/73/59/39/524735939.db2.gz SGFUWBUGOASVDZ-AVOUXACISA-N 2 0 292.398 2.808 20 0 CFADRP Cc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1Cl ZINC000335176084 524749980 /nfs/dbraw/zinc/74/99/80/524749980.db2.gz ZWJCLJGTFULSRR-UHFFFAOYSA-N 2 0 252.789 2.880 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1F ZINC000050545702 524758346 /nfs/dbraw/zinc/75/83/46/524758346.db2.gz ZTHYBBWCVZRNFF-CQSZACIVSA-N 2 0 250.361 2.566 20 0 CFADRP Cc1cccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192905138 524776706 /nfs/dbraw/zinc/77/67/06/524776706.db2.gz HZAYFCMFVPHDFV-XYTVBORESA-N 2 0 288.435 2.977 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)s1 ZINC000227332465 524783523 /nfs/dbraw/zinc/78/35/23/524783523.db2.gz YWZZZVUZRIRHNS-HZMBPMFUSA-N 2 0 252.427 2.937 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000157121500 524848959 /nfs/dbraw/zinc/84/89/59/524848959.db2.gz BHKNMWDYNSBBDY-MAZHCROVSA-N 2 0 262.372 2.693 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000168619096 524862779 /nfs/dbraw/zinc/86/27/79/524862779.db2.gz JPGNGDCFICMTPL-JQWIXIFHSA-N 2 0 288.313 2.754 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000162991045 524893276 /nfs/dbraw/zinc/89/32/76/524893276.db2.gz OVNHQVVHYHQRGL-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000361481283 524894129 /nfs/dbraw/zinc/89/41/29/524894129.db2.gz LAEKHGWRHZPOCW-ZBFHGGJFSA-N 2 0 276.424 2.774 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226344041 524899740 /nfs/dbraw/zinc/89/97/40/524899740.db2.gz DIZGUBWYIRHSQP-AWEZNQCLSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000339408760 524944938 /nfs/dbraw/zinc/94/49/38/524944938.db2.gz VGWWKLSYZMFAGZ-ZBFHGGJFSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000309697611 525269501 /nfs/dbraw/zinc/26/95/01/525269501.db2.gz FMDFQFOIWYGQOG-NXHRZFHOSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000246273042 525295863 /nfs/dbraw/zinc/29/58/63/525295863.db2.gz ATZSYSCRIKDNRY-BMGDILEWSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000340175380 525314502 /nfs/dbraw/zinc/31/45/02/525314502.db2.gz YFBHNNRPCPAESZ-GDBMZVCRSA-N 2 0 276.424 2.763 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC[NH+](C)CC1 ZINC000353609152 525335149 /nfs/dbraw/zinc/33/51/49/525335149.db2.gz AQZBGMCAXSXZHL-LSDHHAIUSA-N 2 0 282.497 2.982 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C2CCCC2)CC[NH+](C)CC1 ZINC000353652465 525337154 /nfs/dbraw/zinc/33/71/54/525337154.db2.gz XCBFTQDNHMLPCD-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1Cl ZINC000226205483 525357192 /nfs/dbraw/zinc/35/71/92/525357192.db2.gz HAIYFHTUVQHKGL-LBPRGKRZSA-N 2 0 270.804 2.569 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cnc2ccsc2c1 ZINC000231786929 525358714 /nfs/dbraw/zinc/35/87/14/525358714.db2.gz WMTSERBICPZUPW-LBPRGKRZSA-N 2 0 293.436 2.525 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1(C)CC1 ZINC000361176560 525367907 /nfs/dbraw/zinc/36/79/07/525367907.db2.gz XEFMUGQDHOMBJL-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000168667007 525410530 /nfs/dbraw/zinc/41/05/30/525410530.db2.gz VRCDDEJQQDYVJN-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cncc(F)c1 ZINC000227496698 525418550 /nfs/dbraw/zinc/41/85/50/525418550.db2.gz HPMUNQRTSKWSHF-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000360687299 525439791 /nfs/dbraw/zinc/43/97/91/525439791.db2.gz BIKAVCAUTZCFCU-RHSMWYFYSA-N 2 0 283.419 2.850 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1F ZINC000335032528 525527728 /nfs/dbraw/zinc/52/77/28/525527728.db2.gz MFAZGFMUSRUJGM-GXTWGEPZSA-N 2 0 250.361 2.927 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CC2 ZINC000229211147 525542337 /nfs/dbraw/zinc/54/23/37/525542337.db2.gz ZNHVEHXZHJXTDX-KRWDZBQOSA-N 2 0 290.451 2.872 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cc2c1 ZINC000261871358 525686956 /nfs/dbraw/zinc/68/69/56/525686956.db2.gz TTYZBBVQCUEUHL-INIZCTEOSA-N 2 0 274.364 2.612 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423223921 534878026 /nfs/dbraw/zinc/87/80/26/534878026.db2.gz HXBCLEULOWKWAX-VHSXEESVSA-N 2 0 255.431 2.963 20 0 CFADRP C[C@@H](O)C[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000374109468 525781571 /nfs/dbraw/zinc/78/15/71/525781571.db2.gz RTNMQBQHAXRKTM-MRXNPFEDSA-N 2 0 290.451 2.601 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979806 526077799 /nfs/dbraw/zinc/07/77/99/526077799.db2.gz ISRXJECKJMWEDB-UKRRQHHQSA-N 2 0 292.398 2.574 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)ccc2n1 ZINC000334868474 526232492 /nfs/dbraw/zinc/23/24/92/526232492.db2.gz KAGVRKGHMBZBSR-BBRMVZONSA-N 2 0 269.392 2.773 20 0 CFADRP Cc1c[nH+]ccc1N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000334979195 526237127 /nfs/dbraw/zinc/23/71/27/526237127.db2.gz NZWDFADTJFGHMZ-CVEARBPZSA-N 2 0 267.376 2.569 20 0 CFADRP FCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309953558 526284216 /nfs/dbraw/zinc/28/42/16/526284216.db2.gz HMGPJBVYQCRIJZ-SJORKVTESA-N 2 0 276.399 2.800 20 0 CFADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423309111 526309618 /nfs/dbraw/zinc/30/96/18/526309618.db2.gz YZGRSQCEULRTJC-JZIMQPMSSA-N 2 0 288.435 2.772 20 0 CFADRP Fc1ccc(C[C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262215076 526345396 /nfs/dbraw/zinc/34/53/96/526345396.db2.gz LYNYUKZLSGRLHQ-QGZVFWFLSA-N 2 0 276.399 2.832 20 0 CFADRP Fc1cccc(CC2CC[NH+](C3CC[NH2+]CC3)CC2)c1F ZINC000335011426 526383305 /nfs/dbraw/zinc/38/33/05/526383305.db2.gz SJFNUUCVKSUWTD-UHFFFAOYSA-N 2 0 294.389 2.971 20 0 CFADRP Fc1cccc2c1SCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335059755 526403821 /nfs/dbraw/zinc/40/38/21/526403821.db2.gz OLXODPKEQQWFGE-CQSZACIVSA-N 2 0 278.396 2.872 20 0 CFADRP Fc1ccccc1[C@@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335029479 526416294 /nfs/dbraw/zinc/41/62/94/526416294.db2.gz MVMJSUXJBZREBT-OCCSQVGLSA-N 2 0 262.372 2.803 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCC2 ZINC000063197498 526422040 /nfs/dbraw/zinc/42/20/40/526422040.db2.gz MNABQXGWBGJDNM-QGZVFWFLSA-N 2 0 286.419 2.586 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000334913429 526715568 /nfs/dbraw/zinc/71/55/68/526715568.db2.gz RJGLLYJYBZZZMC-AWEZNQCLSA-N 2 0 279.453 2.581 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000334856161 526788273 /nfs/dbraw/zinc/78/82/73/526788273.db2.gz GTJSYLHXYLTPJV-IAQYHMDHSA-N 2 0 258.365 2.829 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000414844000 526822231 /nfs/dbraw/zinc/82/22/31/526822231.db2.gz QVHPORHLQSCEOK-LBPRGKRZSA-N 2 0 281.469 2.920 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000422741493 526831082 /nfs/dbraw/zinc/83/10/82/526831082.db2.gz ONLNCCNNXHIRGA-RYUDHWBXSA-N 2 0 281.469 2.700 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000423317511 527080364 /nfs/dbraw/zinc/08/03/64/527080364.db2.gz BPZPTJCPTUZBEJ-CXAGYDPISA-N 2 0 289.423 2.685 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000334841857 527143736 /nfs/dbraw/zinc/14/37/36/527143736.db2.gz WUAUNTLNUPJAMB-UHFFFAOYSA-N 2 0 267.376 2.672 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(F)c(F)c1 ZINC000335276318 527145912 /nfs/dbraw/zinc/14/59/12/527145912.db2.gz FZIPZLBJJDKBKD-QOARYFPJSA-N 2 0 266.335 2.570 20 0 CFADRP [NH3+]CCOCC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000357074354 527189625 /nfs/dbraw/zinc/18/96/25/527189625.db2.gz GMRVJUPBUHZDBL-UHFFFAOYSA-N 2 0 298.377 2.685 20 0 CFADRP CC(C)([NH3+])C[NH2+]CCCc1c(F)cccc1Cl ZINC000414798629 527258099 /nfs/dbraw/zinc/25/80/99/527258099.db2.gz FIPWWXZQQWQQLY-UHFFFAOYSA-N 2 0 258.768 2.739 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414803116 527258537 /nfs/dbraw/zinc/25/85/37/527258537.db2.gz LKHMNBNVBXPXSH-KBPBESRZSA-N 2 0 250.361 2.789 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000339277567 527270107 /nfs/dbraw/zinc/27/01/07/527270107.db2.gz BDAVAWUWQIAKEP-GJZGRUSLSA-N 2 0 290.455 2.633 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000334846208 527358081 /nfs/dbraw/zinc/35/80/81/527358081.db2.gz NKVQWBGLKYJPTQ-CABCVRRESA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)c2ccccc21 ZINC000336232690 527375551 /nfs/dbraw/zinc/37/55/51/527375551.db2.gz GVRFCUIHWMWSGD-CHWSQXEVSA-N 2 0 252.308 2.766 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000334846135 527407750 /nfs/dbraw/zinc/40/77/50/527407750.db2.gz MICOVFNRFYYION-UWVGGRQHSA-N 2 0 289.242 2.870 20 0 CFADRP Cc1ncsc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000071212655 527511431 /nfs/dbraw/zinc/51/14/31/527511431.db2.gz CCQWPERCEMEBLU-UHFFFAOYSA-N 2 0 288.420 2.605 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000336116574 527568658 /nfs/dbraw/zinc/56/86/58/527568658.db2.gz IQNCTZSKCXDERI-RHSMWYFYSA-N 2 0 282.391 2.950 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305130354 527668892 /nfs/dbraw/zinc/66/88/92/527668892.db2.gz MRQDRJOHZVYCEL-DLBZAZTESA-N 2 0 280.456 2.677 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000305211978 527669273 /nfs/dbraw/zinc/66/92/73/527669273.db2.gz PSPJBNSEEVLGLA-KBAYOESNSA-N 2 0 292.467 2.700 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000165264008 527670448 /nfs/dbraw/zinc/67/04/48/527670448.db2.gz BUTLDTHADXSAHH-QZTJIDSGSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422711712 527673196 /nfs/dbraw/zinc/67/31/96/527673196.db2.gz FXGUFSKNDGOWSQ-CQSZACIVSA-N 2 0 291.439 2.888 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422873542 527695316 /nfs/dbraw/zinc/69/53/16/527695316.db2.gz LMQAUQXLGCBQLM-IXDOHACOSA-N 2 0 294.483 2.950 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(F)cc2)[C@H](C)C1 ZINC000174781421 527752874 /nfs/dbraw/zinc/75/28/74/527752874.db2.gz ARMBJKZTTVILPY-RHSMWYFYSA-N 2 0 294.414 2.867 20 0 CFADRP CCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000422806040 527755019 /nfs/dbraw/zinc/75/50/19/527755019.db2.gz HQMSRFCDTHPZOY-NVXWUHKLSA-N 2 0 290.451 2.741 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+]CC3(C)CC[NH2+]CC3)c2O1 ZINC000414898096 527776613 /nfs/dbraw/zinc/77/66/13/527776613.db2.gz FYSMGAJCRUSJDS-UHFFFAOYSA-N 2 0 288.435 2.879 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC000111361355 527814814 /nfs/dbraw/zinc/81/48/14/527814814.db2.gz HUBREAWNAHXVNV-GXFFZTMASA-N 2 0 267.442 2.752 20 0 CFADRP CC(C)[C@H]1C[C@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423155492 527880396 /nfs/dbraw/zinc/88/03/96/527880396.db2.gz QMLAODZYXRTOPJ-GYTBAZASSA-N 2 0 268.445 2.545 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C12CCCCC2 ZINC000422918197 527946972 /nfs/dbraw/zinc/94/69/72/527946972.db2.gz GXCMCGXJLFGCRA-ZQDZILKHSA-N 2 0 268.445 2.830 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1(CC)CC ZINC000422837792 527953064 /nfs/dbraw/zinc/95/30/64/527953064.db2.gz MUFASPZEWRXNJH-YHUYYLMFSA-N 2 0 282.472 2.948 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422877036 527960868 /nfs/dbraw/zinc/96/08/68/527960868.db2.gz HFYOKAQXKRICGU-GDBMZVCRSA-N 2 0 289.423 2.642 20 0 CFADRP CC1(C[NH2+]Cc2ccc(F)c3cccnc23)CC[NH2+]CC1 ZINC000414904190 527981069 /nfs/dbraw/zinc/98/10/69/527981069.db2.gz NCDHHGSDTXNFJD-UHFFFAOYSA-N 2 0 287.382 2.853 20 0 CFADRP CC1(C[NH2+]CCCc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC000414915613 527981156 /nfs/dbraw/zinc/98/11/56/527981156.db2.gz ZVIMVYSHGUBMIE-UHFFFAOYSA-N 2 0 288.435 2.533 20 0 CFADRP CC1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC[NH2+]CC1 ZINC000414913773 527981894 /nfs/dbraw/zinc/98/18/94/527981894.db2.gz WQVWQPVNKXCKES-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](C)C[C@H](C)[NH3+])C1CCCC1 ZINC000422817846 528050048 /nfs/dbraw/zinc/05/00/48/528050048.db2.gz DXZHPDQIAISPJY-KCQAQPDRSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC001155020296 782165756 /nfs/dbraw/zinc/16/57/56/782165756.db2.gz KAQOSAZRWCVNOZ-VXGBXAGGSA-N 2 0 258.369 2.611 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422939718 528123452 /nfs/dbraw/zinc/12/34/52/528123452.db2.gz IGGQUFVJPIZEEN-CVEARBPZSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422940808 528123474 /nfs/dbraw/zinc/12/34/74/528123474.db2.gz JCZKDMPXQIFGBO-NVXWUHKLSA-N 2 0 276.424 2.906 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423363193 528141055 /nfs/dbraw/zinc/14/10/55/528141055.db2.gz NQJYCYDEHSVNOL-PMPSAXMXSA-N 2 0 280.456 2.846 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423236978 528144735 /nfs/dbraw/zinc/14/47/35/528144735.db2.gz HSGRYWJZLNBBML-WOSRLPQWSA-N 2 0 263.429 2.525 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422854735 528152000 /nfs/dbraw/zinc/15/20/00/528152000.db2.gz BJVATEDZJOMOOE-IAGOWNOFSA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414911364 528163155 /nfs/dbraw/zinc/16/31/55/528163155.db2.gz GPMOXMDKWRJKBF-OAHLLOKOSA-N 2 0 262.397 2.706 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422898695 528172159 /nfs/dbraw/zinc/17/21/59/528172159.db2.gz MSUTZQYUWVXRJW-KGLIPLIRSA-N 2 0 264.413 2.937 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422784820 528190740 /nfs/dbraw/zinc/19/07/40/528190740.db2.gz MJPPUPRYHSOVIO-CABCVRRESA-N 3 0 277.456 2.744 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422780373 528200308 /nfs/dbraw/zinc/20/03/08/528200308.db2.gz DBXPUMQFIMEPJY-HUUCEWRRSA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)c1csc(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000422892320 528236291 /nfs/dbraw/zinc/23/62/91/528236291.db2.gz MSOSFWKYQWTHGQ-LLVKDONJSA-N 2 0 255.431 2.874 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422740028 528239174 /nfs/dbraw/zinc/23/91/74/528239174.db2.gz MBJUCTCCMRAUAT-KGLIPLIRSA-N 2 0 289.427 2.678 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000422900854 528273494 /nfs/dbraw/zinc/27/34/94/528273494.db2.gz KCNMJYQHXRSFOQ-AAEUAGOBSA-N 2 0 267.442 2.526 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccco1 ZINC000422970135 528280370 /nfs/dbraw/zinc/28/03/70/528280370.db2.gz FOROSZSYDXUBLR-ARFHVFGLSA-N 2 0 293.455 2.912 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000131484958 528289875 /nfs/dbraw/zinc/28/98/75/528289875.db2.gz VREVVWJPFKVNLX-UHFFFAOYSA-N 2 0 267.442 2.581 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)n1 ZINC000423021705 528290138 /nfs/dbraw/zinc/29/01/38/528290138.db2.gz GDZNAWOUMPAXSV-GDBMZVCRSA-N 2 0 278.444 2.599 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2[nH]ncc2C)CC1 ZINC000356084655 528339025 /nfs/dbraw/zinc/33/90/25/528339025.db2.gz KWBQWRIZVSVWSA-UHFFFAOYSA-N 2 0 278.444 2.662 20 0 CFADRP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000426290276 528422440 /nfs/dbraw/zinc/42/24/40/528422440.db2.gz OOXHPIUHRHDKAM-RWMBFGLXSA-N 2 0 296.484 2.522 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OCC ZINC000414906859 528455640 /nfs/dbraw/zinc/45/56/40/528455640.db2.gz PPRCCGUZXDHZGS-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000422831514 528461436 /nfs/dbraw/zinc/46/14/36/528461436.db2.gz JTTUYTFGDOGKPF-FCLJQHQZSA-N 2 0 273.424 2.694 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422844258 528462512 /nfs/dbraw/zinc/46/25/12/528462512.db2.gz LISCWKQOBQSZKF-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000422866028 528463254 /nfs/dbraw/zinc/46/32/54/528463254.db2.gz ZYDDDFJEYFVTAI-IUODEOHRSA-N 2 0 280.387 2.702 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000422866027 528465600 /nfs/dbraw/zinc/46/56/00/528465600.db2.gz ZYDDDFJEYFVTAI-DOMZBBRYSA-N 2 0 280.387 2.702 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834107 528465768 /nfs/dbraw/zinc/46/57/68/528465768.db2.gz NIBMQGNPDDHLKM-BMFZPTHFSA-N 2 0 261.413 2.551 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422737411 528468814 /nfs/dbraw/zinc/46/88/14/528468814.db2.gz IBEPIGKIRDNQBZ-BBWFWOEESA-N 2 0 281.488 2.748 20 0 CFADRP CCN(CC[NH2+]C1CCC(C[NH3+])CC1)c1cccc(C)c1 ZINC000422773188 528508822 /nfs/dbraw/zinc/50/88/22/528508822.db2.gz TXPFJRVCWPQRAF-UHFFFAOYSA-N 2 0 289.467 2.928 20 0 CFADRP CCN(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1C ZINC000422887431 528512941 /nfs/dbraw/zinc/51/29/41/528512941.db2.gz YPVJWDHQDAEJPR-CABCVRRESA-N 2 0 263.429 2.537 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423306297 528514011 /nfs/dbraw/zinc/51/40/11/528514011.db2.gz DHHMNPOAISIBHF-INIZCTEOSA-N 2 0 266.404 2.982 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1cccc(C)c1 ZINC000422758464 528515671 /nfs/dbraw/zinc/51/56/71/528515671.db2.gz DWSQGRZCRSTIOB-FUHWJXTLSA-N 2 0 289.467 2.799 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1cccc(C)c1 ZINC000422758463 528516902 /nfs/dbraw/zinc/51/69/02/528516902.db2.gz DWSQGRZCRSTIOB-AEFFLSMTSA-N 2 0 289.467 2.799 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414840622 528517499 /nfs/dbraw/zinc/51/74/99/528517499.db2.gz MOUQJKVWWDPNIE-CGTJXYLNSA-N 2 0 295.515 2.993 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423306298 528517688 /nfs/dbraw/zinc/51/76/88/528517688.db2.gz DHHMNPOAISIBHF-MRXNPFEDSA-N 2 0 266.404 2.982 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cn1 ZINC000423330915 528575525 /nfs/dbraw/zinc/57/55/25/528575525.db2.gz NXSAUBVBJYTMKV-CYBMUJFWSA-N 2 0 264.417 2.504 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000423481413 528576704 /nfs/dbraw/zinc/57/67/04/528576704.db2.gz OLJSVXQIKQONPM-ZFWWWQNUSA-N 2 0 264.417 2.647 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000422947289 528595936 /nfs/dbraw/zinc/59/59/36/528595936.db2.gz YCYOCQCQYJQZEC-QWHCGFSZSA-N 2 0 280.412 2.872 20 0 CFADRP CCOC(=O)C1([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000414697241 528602036 /nfs/dbraw/zinc/60/20/36/528602036.db2.gz BUNRFWXPHFWBOV-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414705711 528604588 /nfs/dbraw/zinc/60/45/88/528604588.db2.gz XGSCGJGOYFHPLS-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000414955645 528626890 /nfs/dbraw/zinc/62/68/90/528626890.db2.gz MIVBQCUYQSSYGE-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP CCCc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000414677001 528635248 /nfs/dbraw/zinc/63/52/48/528635248.db2.gz VSHKUONCQKNYLG-GVDBMIGSSA-N 2 0 258.409 2.808 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423321086 528642009 /nfs/dbraw/zinc/64/20/09/528642009.db2.gz GCEJWIRRHPVKNW-LSDHHAIUSA-N 2 0 282.472 2.950 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423337658 528642596 /nfs/dbraw/zinc/64/25/96/528642596.db2.gz KKCVUGVPXPULGH-ZMSDIMECSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414807915 528671760 /nfs/dbraw/zinc/67/17/60/528671760.db2.gz RSRJBOVAVMJMNR-OCCSQVGLSA-N 2 0 281.469 2.949 20 0 CFADRP CCCCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414788393 528674768 /nfs/dbraw/zinc/67/47/68/528674768.db2.gz MHBNOVKKEABRPS-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414838434 528676375 /nfs/dbraw/zinc/67/63/75/528676375.db2.gz WSHLYWNUZGKGQG-MRXNPFEDSA-N 2 0 276.424 2.955 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414831109 528686493 /nfs/dbraw/zinc/68/64/93/528686493.db2.gz PNTPVXICQQGKFB-OAHLLOKOSA-N 2 0 292.423 2.573 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422899051 528688022 /nfs/dbraw/zinc/68/80/22/528688022.db2.gz NMAGDMNHPGBOBV-RHSMWYFYSA-N 2 0 276.424 2.953 20 0 CFADRP CCCCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423325010 528689587 /nfs/dbraw/zinc/68/95/87/528689587.db2.gz PRJGDOOBOUDGMY-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP CC(C)Cn1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000414815655 528709720 /nfs/dbraw/zinc/70/97/20/528709720.db2.gz XYYUNOGGRKDFGO-AWEZNQCLSA-N 2 0 286.423 2.849 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1 ZINC000423255639 528720125 /nfs/dbraw/zinc/72/01/25/528720125.db2.gz ALEXGMPGQXFLQL-ZIAGYGMSSA-N 2 0 264.413 2.982 20 0 CFADRP CCOc1ccccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843818 528730408 /nfs/dbraw/zinc/73/04/08/528730408.db2.gz CYQSJEQIBZQHNC-AWEZNQCLSA-N 2 0 262.397 2.565 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414851415 528759031 /nfs/dbraw/zinc/75/90/31/528759031.db2.gz JDWYKQIKUPGOKR-ZBFHGGJFSA-N 2 0 276.424 2.953 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414714962 528793323 /nfs/dbraw/zinc/79/33/23/528793323.db2.gz WVUCSWCCVHKIGO-GOEBONIOSA-N 2 0 276.424 2.905 20 0 CFADRP CCC(CC)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[NH+](C)C ZINC000422964879 528823477 /nfs/dbraw/zinc/82/34/77/528823477.db2.gz MYEWZZYSNRMXKA-BLLLJJGKSA-N 2 0 278.444 2.511 20 0 CFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422909768 528833985 /nfs/dbraw/zinc/83/39/85/528833985.db2.gz GSZREYYBNDSOKX-HNNXBMFYSA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422914854 528835148 /nfs/dbraw/zinc/83/51/48/528835148.db2.gz WGMDOXQNVUSHFH-YJBOKZPZSA-N 2 0 289.467 2.757 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423170784 528945141 /nfs/dbraw/zinc/94/51/41/528945141.db2.gz YWHLYJGITJOKAS-BRWVUGGUSA-N 2 0 293.499 2.761 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423287133 528952343 /nfs/dbraw/zinc/95/23/43/528952343.db2.gz KLVPEDQZIXDAKJ-CYBMUJFWSA-N 2 0 277.412 2.511 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423289354 528953314 /nfs/dbraw/zinc/95/33/14/528953314.db2.gz WYDGTJMBLNVFDT-ZIAGYGMSSA-N 2 0 270.461 2.933 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423138063 528964225 /nfs/dbraw/zinc/96/42/25/528964225.db2.gz RXKLTLFGNMZSPZ-FXUDXRNXSA-N 2 0 280.456 2.559 20 0 CFADRP CCOC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000427865324 528976635 /nfs/dbraw/zinc/97/66/35/528976635.db2.gz NILSFWNDIISYQM-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)CC2CCCCC2)CC1 ZINC000417354884 529001380 /nfs/dbraw/zinc/00/13/80/529001380.db2.gz ABBQSEYKXKEHOD-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423282710 529011255 /nfs/dbraw/zinc/01/12/55/529011255.db2.gz WUFHJCRQPZQQMO-CZUORRHYSA-N 2 0 264.413 2.982 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422733995 529025598 /nfs/dbraw/zinc/02/55/98/529025598.db2.gz BWAYLCNZBDSZPQ-VSZNYVQBSA-N 3 0 293.499 2.617 20 0 CFADRP CCCCc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423204864 529028352 /nfs/dbraw/zinc/02/83/52/529028352.db2.gz OUUSOKDKGRPUAZ-INIZCTEOSA-N 2 0 289.467 2.585 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423201613 529034864 /nfs/dbraw/zinc/03/48/64/529034864.db2.gz PCVDPSSMEXUYPJ-HNNXBMFYSA-N 2 0 278.444 2.549 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414798310 529070901 /nfs/dbraw/zinc/07/09/01/529070901.db2.gz QDEWUDGWMJFXEK-BRWVUGGUSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423280441 529072483 /nfs/dbraw/zinc/07/24/83/529072483.db2.gz UEMQKCMCVRXXBL-VNQPRFMTSA-N 2 0 261.413 2.681 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422808823 529072598 /nfs/dbraw/zinc/07/25/98/529072598.db2.gz OSECYADJVXCJKP-YOEHRIQHSA-N 2 0 276.424 2.701 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000417970576 529139646 /nfs/dbraw/zinc/13/96/46/529139646.db2.gz RCSTXWIQRAINFJ-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)C1(C(=O)OC)CCC1 ZINC000423209048 529157588 /nfs/dbraw/zinc/15/75/88/529157588.db2.gz ZNJPRGPJZVXACT-CQSZACIVSA-N 2 0 296.455 2.750 20 0 CFADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000423328058 529158761 /nfs/dbraw/zinc/15/87/61/529158761.db2.gz RXDXVRXTYRBZJZ-CYBMUJFWSA-N 2 0 288.313 2.845 20 0 CFADRP CC[C@@H]([NH2+]CCCNc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422764577 529162807 /nfs/dbraw/zinc/16/28/07/529162807.db2.gz VGIWJQXTZJQMAL-CVEARBPZSA-N 2 0 261.413 2.609 20 0 CFADRP CC[C@@H]([NH2+]CCc1cccc2[nH]ccc21)[C@@H]1CCC[NH2+]1 ZINC000423116479 529169488 /nfs/dbraw/zinc/16/94/88/529169488.db2.gz PYTZUUGGODVGFA-WBVHZDCISA-N 2 0 271.408 2.831 20 0 CFADRP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415010989 529174596 /nfs/dbraw/zinc/17/45/96/529174596.db2.gz VLTILGDRNFJRBA-JSGCOSHPSA-N 2 0 264.388 2.995 20 0 CFADRP CC[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422962119 529175347 /nfs/dbraw/zinc/17/53/47/529175347.db2.gz DWKIZDBFUCJRQM-PMPSAXMXSA-N 2 0 291.439 2.537 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cc(Cl)ccc1OC ZINC000423300561 529177707 /nfs/dbraw/zinc/17/77/07/529177707.db2.gz RVQNKEMBCACCRV-ZWNOBZJWSA-N 2 0 270.804 2.984 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1c(C)nn(C)c1C ZINC000422798446 529199090 /nfs/dbraw/zinc/19/90/90/529199090.db2.gz RCIZBZIUCIPBKB-SMDDNHRTSA-N 2 0 266.433 2.595 20 0 CFADRP CC[C@H]1CCCN(C(C)(C)C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422902878 529217062 /nfs/dbraw/zinc/21/70/62/529217062.db2.gz DVRHOCVDPUFNMP-CABCVRRESA-N 2 0 269.477 2.604 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000423162518 529248566 /nfs/dbraw/zinc/24/85/66/529248566.db2.gz TZGZQWPIYQXTRA-OZVIIMIRSA-N 2 0 279.428 2.560 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422728168 529273984 /nfs/dbraw/zinc/27/39/84/529273984.db2.gz IUEBVAMGLDLIQB-TVFCKZIOSA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422902881 529297567 /nfs/dbraw/zinc/29/75/67/529297567.db2.gz DVRHOCVDPUFNMP-LSDHHAIUSA-N 2 0 269.477 2.604 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1ccccc1F ZINC000422816418 529370482 /nfs/dbraw/zinc/37/04/82/529370482.db2.gz FDOCWLGMRZELHO-GUTXKFCHSA-N 2 0 280.387 2.700 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccncc2)C1 ZINC000453098232 534948470 /nfs/dbraw/zinc/94/84/70/534948470.db2.gz PSKVQJODUGZANS-GOEBONIOSA-N 2 0 261.413 2.854 20 0 CFADRP CCOCCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268759073 535550618 /nfs/dbraw/zinc/55/06/18/535550618.db2.gz ZOUASOFJEBSYPI-HNNXBMFYSA-N 2 0 294.439 2.704 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2sccc2C)CC1 ZINC000449747975 535674386 /nfs/dbraw/zinc/67/43/86/535674386.db2.gz ADDVIVVRMHRCMD-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@H]([NH+](C)C)C3)c2c1 ZINC000450311141 535833395 /nfs/dbraw/zinc/83/33/95/535833395.db2.gz YQNBSYLTNKEWMM-AWEZNQCLSA-N 2 0 269.392 2.938 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443062267 535904671 /nfs/dbraw/zinc/90/46/71/535904671.db2.gz UEZZMPJEUJAVMZ-MRXNPFEDSA-N 2 0 276.424 2.689 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000246333917 535967345 /nfs/dbraw/zinc/96/73/45/535967345.db2.gz HEUNRACDFRFNLA-PBHICJAKSA-N 2 0 258.409 2.948 20 0 CFADRP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449639440 536007764 /nfs/dbraw/zinc/00/77/64/536007764.db2.gz OWVCMPKLUSAHCO-IRXDYDNUSA-N 2 0 282.472 2.923 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000237060168 536036349 /nfs/dbraw/zinc/03/63/49/536036349.db2.gz SBLFXHSPZKYBRL-QGZVFWFLSA-N 2 0 297.402 2.777 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452056508 536370925 /nfs/dbraw/zinc/37/09/25/536370925.db2.gz WSMAHVUUNKBMHV-ZHCJQAHYSA-N 2 0 262.441 2.839 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(F)cccc2F)C1 ZINC000459734840 536384343 /nfs/dbraw/zinc/38/43/43/536384343.db2.gz OPMHDVIDNJAREH-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445806721 536390596 /nfs/dbraw/zinc/39/05/96/536390596.db2.gz YWEGAAKYIVTUNZ-HOTGVXAUSA-N 2 0 259.397 2.607 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459404177 536546389 /nfs/dbraw/zinc/54/63/89/536546389.db2.gz RHFKTNYGZUWUCZ-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1SC ZINC000442920517 536756822 /nfs/dbraw/zinc/75/68/22/536756822.db2.gz LQJRAMRDVSQOHX-CYBMUJFWSA-N 2 0 294.464 2.978 20 0 CFADRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1C ZINC000194293104 536795472 /nfs/dbraw/zinc/79/54/72/536795472.db2.gz JIGYRZLSTNUWKR-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459721828 536892037 /nfs/dbraw/zinc/89/20/37/536892037.db2.gz BCEITXOVBGOZHJ-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)CC[NH+](C)C ZINC000268995731 536947576 /nfs/dbraw/zinc/94/75/76/536947576.db2.gz KKTQITMCPZRUBZ-DOMZBBRYSA-N 2 0 262.397 2.612 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)CC[NH+](C)C ZINC000268995734 536947787 /nfs/dbraw/zinc/94/77/87/536947787.db2.gz KKTQITMCPZRUBZ-WFASDCNBSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000235661887 545551147 /nfs/dbraw/zinc/55/11/47/545551147.db2.gz NLAHNUZXCNCAGY-QJPTWQEYSA-N 2 0 264.335 2.649 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(Cl)c1 ZINC000235665298 545551296 /nfs/dbraw/zinc/55/12/96/545551296.db2.gz CRLPHPIQSGHWNQ-RYUDHWBXSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000152924065 574050438 /nfs/dbraw/zinc/05/04/38/574050438.db2.gz QJGNFPDKYINENO-CJNGLKHVSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]([NH2+]CCCCCCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754463169 574097025 /nfs/dbraw/zinc/09/70/25/574097025.db2.gz FNSQEOZQNNSTQM-HZPDHXFCSA-N 2 0 282.472 2.782 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000746493726 574151320 /nfs/dbraw/zinc/15/13/20/574151320.db2.gz CFOQJDWIDVDLRH-CQSZACIVSA-N 2 0 254.494 2.528 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCN1CCC[C@H]1C)C2 ZINC000756037811 574205699 /nfs/dbraw/zinc/20/56/99/574205699.db2.gz UWHBRPBVDRDIEN-ZBFHGGJFSA-N 2 0 288.435 2.626 20 0 CFADRP CCCC[C@H](CC)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415112266 574207928 /nfs/dbraw/zinc/20/79/28/574207928.db2.gz RWUVFPDAMXSTAD-LSDHHAIUSA-N 2 0 256.434 2.643 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2C)C1 ZINC000747960698 574222427 /nfs/dbraw/zinc/22/24/27/574222427.db2.gz HUNHMFBJWRJDSG-FUHWJXTLSA-N 2 0 290.451 2.692 20 0 CFADRP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCN(C)C2)ccc1OC ZINC000729681667 574227777 /nfs/dbraw/zinc/22/77/77/574227777.db2.gz HJRVYYXUOXTRQY-UKRRQHHQSA-N 2 0 292.423 2.666 20 0 CFADRP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)C1CC[NH+](C)CC1 ZINC000090460219 574291802 /nfs/dbraw/zinc/29/18/02/574291802.db2.gz RXJNQYAZZQAIMX-LLVKDONJSA-N 2 0 279.453 2.840 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3CSC3)C2)cc1 ZINC000396459617 574355120 /nfs/dbraw/zinc/35/51/20/574355120.db2.gz PBGHOMRBDFJTJT-OAHLLOKOSA-N 2 0 276.449 2.604 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000396455664 574355290 /nfs/dbraw/zinc/35/52/90/574355290.db2.gz MLANCEYEADEOEL-GXTWGEPZSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000396491238 574355633 /nfs/dbraw/zinc/35/56/33/574355633.db2.gz NGZMPSWFOGGFFV-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP Cc1cc(F)ncc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000891560555 617668199 /nfs/dbraw/zinc/66/81/99/617668199.db2.gz CMTAUHFHHHSJEW-UHFFFAOYSA-N 2 0 279.403 2.834 20 0 CFADRP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CCCC1)CC(C)C ZINC000066242746 617680874 /nfs/dbraw/zinc/68/08/74/617680874.db2.gz QUHFVJWLEYVPDS-HNNXBMFYSA-N 2 0 282.476 2.799 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000891630186 617691369 /nfs/dbraw/zinc/69/13/69/617691369.db2.gz MKJLUVMNRYCVTJ-INIZCTEOSA-N 2 0 259.397 2.560 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000891672874 617703184 /nfs/dbraw/zinc/70/31/84/617703184.db2.gz YZBJRZRZIXMFPO-HNNXBMFYSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000891735378 617733040 /nfs/dbraw/zinc/73/30/40/617733040.db2.gz ICRPAIZFDHAMRE-JZXOWHBKSA-N 2 0 293.499 2.665 20 0 CFADRP Cc1cc(F)ncc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000891775939 617746798 /nfs/dbraw/zinc/74/67/98/617746798.db2.gz VTVCTFMVDABBDQ-UHFFFAOYSA-N 2 0 279.403 2.693 20 0 CFADRP C[NH+](C)[C@@H](CNc1nccn2cncc12)c1ccc(F)cc1 ZINC000891904814 617817673 /nfs/dbraw/zinc/81/76/73/617817673.db2.gz LGLPLFHKLRBFJJ-AWEZNQCLSA-N 2 0 299.353 2.583 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000891932195 617832909 /nfs/dbraw/zinc/83/29/09/617832909.db2.gz VNQPTTVWIOXEIV-UHFFFAOYSA-N 2 0 288.435 2.785 20 0 CFADRP C[C@@H]1c2ccccc2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891950103 617848604 /nfs/dbraw/zinc/84/86/04/617848604.db2.gz GDHMSFOFBIPQAF-CQSZACIVSA-N 2 0 258.409 2.948 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311516 617879116 /nfs/dbraw/zinc/87/91/16/617879116.db2.gz YVULNWGJFDEGEA-WBVHZDCISA-N 2 0 282.472 2.780 20 0 CFADRP COc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(C)c1 ZINC000892105032 617953353 /nfs/dbraw/zinc/95/33/53/617953353.db2.gz HOMCIHOKMDULKO-HOCLYGCPSA-N 2 0 276.424 2.918 20 0 CFADRP C[N@H+](CCc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104259453 617953975 /nfs/dbraw/zinc/95/39/75/617953975.db2.gz QHEKKSCAIZRGCT-FUNVUKJBSA-N 2 0 250.411 2.505 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCC(OC)CC2)[C@@H](C)C1 ZINC000892105499 617954229 /nfs/dbraw/zinc/95/42/29/617954229.db2.gz MDTLVPABJKIPSC-OTBWCIGPSA-N 2 0 282.472 2.854 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000892224579 618013600 /nfs/dbraw/zinc/01/36/00/618013600.db2.gz XTKRRXNGYOADJP-HOTGVXAUSA-N 2 0 292.423 2.509 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000892224581 618014508 /nfs/dbraw/zinc/01/45/08/618014508.db2.gz XTKRRXNGYOADJP-JKSUJKDBSA-N 2 0 292.423 2.509 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3ccc(F)c(F)c3C2)CC1 ZINC000892230591 618016536 /nfs/dbraw/zinc/01/65/36/618016536.db2.gz CXOOKYKHIHFHGD-UHFFFAOYSA-N 2 0 280.362 2.665 20 0 CFADRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)cc(Cl)c1OC ZINC000051694144 618048891 /nfs/dbraw/zinc/04/88/91/618048891.db2.gz RUFJKEFUIINAEW-UHFFFAOYSA-N 2 0 298.814 2.717 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000926115649 618116405 /nfs/dbraw/zinc/11/64/05/618116405.db2.gz WLELUPKKRFOCCS-HOTGVXAUSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933078463 618149896 /nfs/dbraw/zinc/14/98/96/618149896.db2.gz MOTPVHSGQVLJTI-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926488052 618156345 /nfs/dbraw/zinc/15/63/45/618156345.db2.gz SRCNXOMYHSQNLE-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](CCCn3ccnc3)C2)n1 ZINC000933124679 618160084 /nfs/dbraw/zinc/16/00/84/618160084.db2.gz BEUVKLNZCMUFNN-CQSZACIVSA-N 2 0 290.436 2.603 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)CO)c1cccc(C[NH+](C)C)c1 ZINC000926509388 618165611 /nfs/dbraw/zinc/16/56/11/618165611.db2.gz ZBOJUWSQZVGHOK-CQSZACIVSA-N 2 0 278.440 2.807 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846865 618179325 /nfs/dbraw/zinc/17/93/25/618179325.db2.gz WNDXWFGTBTWCCT-UHFFFAOYSA-N 2 0 262.397 2.576 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000926151131 618186651 /nfs/dbraw/zinc/18/66/51/618186651.db2.gz RJCOOSHALJZCRT-ZDUSSCGKSA-N 2 0 298.402 2.540 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257662130 618190918 /nfs/dbraw/zinc/19/09/18/618190918.db2.gz CAHADXUXRUUHGF-QWRGUYRKSA-N 2 0 254.324 2.697 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926553463 618199181 /nfs/dbraw/zinc/19/91/81/618199181.db2.gz SWVBEWCIEJYTDY-CXAGYDPISA-N 2 0 276.424 2.560 20 0 CFADRP C[N@H+](Cc1cc(F)ccc1F)C1CCC([NH3+])CC1 ZINC000091844741 618202422 /nfs/dbraw/zinc/20/24/22/618202422.db2.gz PZHBDDQCDZSXPD-UHFFFAOYSA-N 2 0 254.324 2.667 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000308387372 618207471 /nfs/dbraw/zinc/20/74/71/618207471.db2.gz FUWQVAMQCXXBBV-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000308393753 618207562 /nfs/dbraw/zinc/20/75/62/618207562.db2.gz NAVRZKAZUGOTHX-JKSUJKDBSA-N 2 0 280.456 2.798 20 0 CFADRP Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250114220 618209591 /nfs/dbraw/zinc/20/95/91/618209591.db2.gz LNPLLHVWSWVBES-BRWVUGGUSA-N 2 0 276.399 2.879 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000308402708 618211192 /nfs/dbraw/zinc/21/11/92/618211192.db2.gz YHGVCMCQEFNPFY-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1(Br)CC1 ZINC000926572867 618216917 /nfs/dbraw/zinc/21/69/17/618216917.db2.gz HJMGXJKNPGJHNE-VXGBXAGGSA-N 2 0 289.261 2.624 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NCC1CC[NH+](C)CC1 ZINC000892388771 618220109 /nfs/dbraw/zinc/22/01/09/618220109.db2.gz HHNOMVWXHFGNRQ-UHFFFAOYSA-N 2 0 275.440 2.810 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000924524515 618233886 /nfs/dbraw/zinc/23/38/86/618233886.db2.gz CLDKLXTZPBXQPE-HZPDHXFCSA-N 2 0 270.461 2.639 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000924526238 618252820 /nfs/dbraw/zinc/25/28/20/618252820.db2.gz JFFLCUMUYCQGIK-RDJZCZTQSA-N 2 0 289.467 2.970 20 0 CFADRP Cc1ncoc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000893966845 618254368 /nfs/dbraw/zinc/25/43/68/618254368.db2.gz FZAGDUXKHNSRDI-UHFFFAOYSA-N 2 0 265.401 2.535 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925574810 618257040 /nfs/dbraw/zinc/25/70/40/618257040.db2.gz BUNQTIISZAZYOY-JYJNAYRXSA-N 2 0 280.456 2.702 20 0 CFADRP Clc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000092366763 618263772 /nfs/dbraw/zinc/26/37/72/618263772.db2.gz GVRAPHPONBSCRE-AWEZNQCLSA-N 2 0 279.815 2.699 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000924530041 618273451 /nfs/dbraw/zinc/27/34/51/618273451.db2.gz YWECLHSMVOZVOD-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000925604857 618292266 /nfs/dbraw/zinc/29/22/66/618292266.db2.gz AVCCRWQWVYSMPM-RYQLBKOJSA-N 2 0 289.467 2.785 20 0 CFADRP c1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)noc1-c1ccccc1 ZINC000262124796 618294949 /nfs/dbraw/zinc/29/49/49/618294949.db2.gz MUBDMQQCMLCILB-UHFFFAOYSA-N 2 0 297.402 2.917 20 0 CFADRP Fc1ccc(CC[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F ZINC000894067975 618303352 /nfs/dbraw/zinc/30/33/52/618303352.db2.gz QRNSLHXUGFLVRH-UHFFFAOYSA-N 2 0 294.389 2.971 20 0 CFADRP COC1CCC(C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000894068600 618304564 /nfs/dbraw/zinc/30/45/64/618304564.db2.gz WIBWJKGJSBWPIS-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610098 618305948 /nfs/dbraw/zinc/30/59/48/618305948.db2.gz YWNIZKYRMUQZRR-VDNDLQMASA-N 2 0 288.435 2.689 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@@H]2CCC=CO2)c2ccccn2)CC1 ZINC000895110333 618306690 /nfs/dbraw/zinc/30/66/90/618306690.db2.gz IRSQQEOKQUHODG-JYJNAYRXSA-N 2 0 287.407 2.851 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925609998 618306856 /nfs/dbraw/zinc/30/68/56/618306856.db2.gz CCTHYERUPUNWBY-UONOGXRCSA-N 2 0 270.461 2.813 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925614597 618314644 /nfs/dbraw/zinc/31/46/44/618314644.db2.gz CYKDJKSRCFNDQO-UONOGXRCSA-N 2 0 256.434 2.558 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)C12CCC2 ZINC000925614537 618315148 /nfs/dbraw/zinc/31/51/48/618315148.db2.gz CEVZFEBEGKKEFK-HZPDHXFCSA-N 2 0 270.420 2.869 20 0 CFADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925618373 618327631 /nfs/dbraw/zinc/32/76/31/618327631.db2.gz GVESSUCRYNCUNI-VSZNYVQBSA-N 2 0 282.431 2.837 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000925618492 618328098 /nfs/dbraw/zinc/32/80/98/618328098.db2.gz USLUVQIQCCJXPG-JKSUJKDBSA-N 2 0 274.408 2.712 20 0 CFADRP CC1(O)CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925621816 618339058 /nfs/dbraw/zinc/33/90/58/618339058.db2.gz GXCUYWAKJPALLI-CGZBRXJRSA-N 2 0 276.424 2.750 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)C12CCC2 ZINC000925625016 618348022 /nfs/dbraw/zinc/34/80/22/618348022.db2.gz FRKOZVJYHKKDSB-LSDHHAIUSA-N 2 0 294.826 2.716 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892479974 618352343 /nfs/dbraw/zinc/35/23/43/618352343.db2.gz WAEMIKWHFLOXKF-AAEUAGOBSA-N 2 0 289.261 2.622 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCSCC(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925627862 618354284 /nfs/dbraw/zinc/35/42/84/618354284.db2.gz ALCUZVROYFKQJU-ZJUUUORDSA-N 2 0 284.391 2.778 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000925629111 618355291 /nfs/dbraw/zinc/35/52/91/618355291.db2.gz LPIRNAJTXHCUAF-FXUDXRNXSA-N 2 0 280.456 2.830 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)c2ccccc21 ZINC000236324146 618362821 /nfs/dbraw/zinc/36/28/21/618362821.db2.gz ZOPJCESBJWXZQV-ZWKOTPCHSA-N 2 0 264.372 2.888 20 0 CFADRP C[C@H](CNC(=[NH2+])NC1CCCCC1)C[NH+]1CCCCC1 ZINC000052047734 618371074 /nfs/dbraw/zinc/37/10/74/618371074.db2.gz JMJFEDZQZSRTAT-CQSZACIVSA-N 2 0 280.460 2.555 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000925638199 618372164 /nfs/dbraw/zinc/37/21/64/618372164.db2.gz BOMHQBJFPRMIDR-KRWDZBQOSA-N 2 0 276.424 2.873 20 0 CFADRP CC(C)(CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCC1 ZINC000925650668 618402100 /nfs/dbraw/zinc/40/21/00/618402100.db2.gz QOFYYEVOTJUXTK-HUUCEWRRSA-N 2 0 281.488 2.604 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237053678 618413447 /nfs/dbraw/zinc/41/34/47/618413447.db2.gz XFEBJLIZKRQHIC-MRXNPFEDSA-N 2 0 297.402 2.825 20 0 CFADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894202647 618444636 /nfs/dbraw/zinc/44/46/36/618444636.db2.gz ZVGZJSRHSRVHQC-MRXNPFEDSA-N 2 0 290.455 2.772 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CC(C(C)(C)C)C1)[NH2+]2 ZINC000925678259 618455844 /nfs/dbraw/zinc/45/58/44/618455844.db2.gz UAEPXVKTOUILIX-ZWNFCVKBSA-N 2 0 250.430 2.930 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C12CCC2 ZINC000925678188 618456022 /nfs/dbraw/zinc/45/60/22/618456022.db2.gz DBHFUFWKQQQAQX-USXIJHARSA-N 2 0 270.420 2.966 20 0 CFADRP COCC1(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925678856 618457626 /nfs/dbraw/zinc/45/76/26/618457626.db2.gz XPCGEOQSMRPNRV-IRXDYDNUSA-N 2 0 294.483 2.951 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000925684235 618474618 /nfs/dbraw/zinc/47/46/18/618474618.db2.gz FRPCNYXWLDFXNI-NWDGAFQWSA-N 2 0 260.372 2.917 20 0 CFADRP COCC[C@@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925685057 618477367 /nfs/dbraw/zinc/47/73/67/618477367.db2.gz FDZYHFOVSBDFLW-ZBFHGGJFSA-N 2 0 264.413 2.729 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]CC[C@@H](C)[NH+](C)C)cc21 ZINC000895291312 618511619 /nfs/dbraw/zinc/51/16/19/618511619.db2.gz CFERAANCZSCNEO-CYBMUJFWSA-N 2 0 259.397 2.906 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+]CC1CC[NH+](C)CC1 ZINC000895360010 618550284 /nfs/dbraw/zinc/55/02/84/618550284.db2.gz CNDRUHCYPLSBKC-GFCCVEGCSA-N 2 0 298.377 2.664 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1CCC[C@H]1CCO1 ZINC000895376399 618556022 /nfs/dbraw/zinc/55/60/22/618556022.db2.gz BODUNWLXVZHISL-OWCLPIDISA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1ccoc1 ZINC000895378815 618557593 /nfs/dbraw/zinc/55/75/93/618557593.db2.gz SRQQXVJEMSERDZ-ZFWWWQNUSA-N 2 0 250.386 2.832 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000895406830 618570302 /nfs/dbraw/zinc/57/03/02/618570302.db2.gz XQUSORKJMBPKDY-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000236206648 618611288 /nfs/dbraw/zinc/61/12/88/618611288.db2.gz IYFWQMIMRFVGSL-ZUEPYMLJSA-N 2 0 260.381 2.629 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000892535283 618617337 /nfs/dbraw/zinc/61/73/37/618617337.db2.gz IXQRZZPHBOKGIQ-GOSISDBHSA-N 3 0 295.515 2.818 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000926739046 618620512 /nfs/dbraw/zinc/62/05/12/618620512.db2.gz WZAJLGSVBZNVPX-PSIUFMSWSA-N 2 0 277.239 2.500 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCCOc2ccc(F)cc2)CC1 ZINC000892551745 618629631 /nfs/dbraw/zinc/62/96/31/618629631.db2.gz JXNQSPYTGZKECJ-UHFFFAOYSA-N 2 0 294.414 2.916 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892578663 618641095 /nfs/dbraw/zinc/64/10/95/618641095.db2.gz GZHIGJQBRAWGKR-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000892586010 618643105 /nfs/dbraw/zinc/64/31/05/618643105.db2.gz DOGFYLSUJYGWBF-NJAFHUGGSA-N 2 0 270.420 2.933 20 0 CFADRP COC1CCC(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000892622814 618658315 /nfs/dbraw/zinc/65/83/15/618658315.db2.gz RYHVYCDPLUYHPZ-QQFBHYJXSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(CNC[C@@H](C)C[NH+]2CCCCC2)cnc1F ZINC000892633520 618664859 /nfs/dbraw/zinc/66/48/59/618664859.db2.gz WRUAGSVMZOJOMM-CYBMUJFWSA-N 2 0 279.403 2.741 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(CCCOC)CCC2)C1 ZINC000892668040 618687622 /nfs/dbraw/zinc/68/76/22/618687622.db2.gz HEEIQGWTKLMYJX-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP COc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000892674488 618694475 /nfs/dbraw/zinc/69/44/75/618694475.db2.gz VXPZZACDGCIGAB-QWHCGFSZSA-N 2 0 285.391 2.560 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000166011550 618701523 /nfs/dbraw/zinc/70/15/23/618701523.db2.gz IWKKVWIKRWJFQV-TZMCWYRMSA-N 2 0 299.846 2.742 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166328734 618704746 /nfs/dbraw/zinc/70/47/46/618704746.db2.gz HGCUFGDQEKUMJT-DLBZAZTESA-N 3 0 281.488 2.715 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(CCCOC)CCC2)C1 ZINC000892741917 618737424 /nfs/dbraw/zinc/73/74/24/618737424.db2.gz DDODVSMCQFYQJI-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000892935607 618773081 /nfs/dbraw/zinc/77/30/81/618773081.db2.gz ATJGTYSWIZYJMC-UHFFFAOYSA-N 2 0 280.387 2.743 20 0 CFADRP COC1CCC(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000893094979 618828955 /nfs/dbraw/zinc/82/89/55/618828955.db2.gz RGORZBCATHHDMA-PWUWZPNHSA-N 2 0 268.445 2.654 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000893094878 618829133 /nfs/dbraw/zinc/82/91/33/618829133.db2.gz RGORZBCATHHDMA-LVDPKSTMSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925505889 618834581 /nfs/dbraw/zinc/83/45/81/618834581.db2.gz PFMSGDKLKHNACF-LSDHHAIUSA-N 2 0 276.424 2.733 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCCC1 ZINC000925508707 618841813 /nfs/dbraw/zinc/84/18/13/618841813.db2.gz IQJSPBBQIUUFHB-HUUCEWRRSA-N 2 0 281.488 2.747 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2cccs2)C[C@@H]([NH3+])C1 ZINC000925510823 618848577 /nfs/dbraw/zinc/84/85/77/618848577.db2.gz ZUGQJVRNPRZUIM-NEPJUHHUSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000925515975 618854296 /nfs/dbraw/zinc/85/42/96/618854296.db2.gz BGDVJTPZJCUFRR-CRAIPNDOSA-N 2 0 287.451 2.513 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(Cl)cc1 ZINC000925515956 618855112 /nfs/dbraw/zinc/85/51/12/618855112.db2.gz JWLIFMQAOAHEDA-QLFBSQMISA-N 2 0 294.826 2.887 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cnc1F ZINC000893186807 618872029 /nfs/dbraw/zinc/87/20/29/618872029.db2.gz FWVKWZJPMADGNZ-UHFFFAOYSA-N 2 0 279.403 2.739 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925526689 618872934 /nfs/dbraw/zinc/87/29/34/618872934.db2.gz OKVDTSGMQMRSPJ-IXDOHACOSA-N 2 0 288.435 2.699 20 0 CFADRP CSC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925526863 618873154 /nfs/dbraw/zinc/87/31/54/618873154.db2.gz KOGVWDYAIXIUKP-KBPBESRZSA-N 2 0 270.486 2.886 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925528126 618876644 /nfs/dbraw/zinc/87/66/44/618876644.db2.gz STWQPKWMKVJCSH-RYQLBKOJSA-N 2 0 296.499 2.789 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925528125 618876794 /nfs/dbraw/zinc/87/67/94/618876794.db2.gz STWQPKWMKVJCSH-JQHSSLGASA-N 2 0 296.499 2.789 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000925535238 618888299 /nfs/dbraw/zinc/88/82/99/618888299.db2.gz UGGFSXIDOADKED-GDBMZVCRSA-N 2 0 293.499 2.889 20 0 CFADRP c1ccc(COCCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925534650 618888408 /nfs/dbraw/zinc/88/84/08/618888408.db2.gz OHCHZEMBZMCDCF-QGZVFWFLSA-N 2 0 288.435 2.858 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000930612927 618890306 /nfs/dbraw/zinc/89/03/06/618890306.db2.gz BFNIIYASMWYHDI-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCOc2ccc(F)cc2)C12CCC2 ZINC000925537854 618893022 /nfs/dbraw/zinc/89/30/22/618893022.db2.gz OLPYUSJGAWUTTE-HOTGVXAUSA-N 2 0 292.398 2.844 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@H](O)c1ccccc1)Cc1ccccc1 ZINC000309562871 618899975 /nfs/dbraw/zinc/89/99/75/618899975.db2.gz SQAPWZGOFGCWRW-IBGZPJMESA-N 2 0 298.430 2.832 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C12CCC2 ZINC000925541401 618900423 /nfs/dbraw/zinc/90/04/23/618900423.db2.gz IGSLBDURIGZHFL-SJJHQCBESA-N 3 0 291.483 2.643 20 0 CFADRP CC1CCN(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925545931 618906495 /nfs/dbraw/zinc/90/64/95/618906495.db2.gz DJAFNWGIOXUPJE-GOSISDBHSA-N 2 0 289.467 2.788 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925690492 618934840 /nfs/dbraw/zinc/93/48/40/618934840.db2.gz GNPDDWQDDGGFFG-IAGOWNOFSA-N 2 0 287.451 2.684 20 0 CFADRP CCc1ncc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000925692059 618937414 /nfs/dbraw/zinc/93/74/14/618937414.db2.gz YRZVAPNKITUBNE-OAHLLOKOSA-N 2 0 273.380 2.807 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1 ZINC000925693240 618938615 /nfs/dbraw/zinc/93/86/15/618938615.db2.gz QOGVELVWIYKISM-INIZCTEOSA-N 3 0 275.440 2.718 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925695879 618947744 /nfs/dbraw/zinc/94/77/44/618947744.db2.gz XWAOEFRJAQMSGL-ROUUACIJSA-N 2 0 287.451 2.956 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000925699987 618952299 /nfs/dbraw/zinc/95/22/99/618952299.db2.gz QVCONONUJZQOLY-QAPCUYQASA-N 2 0 289.467 2.977 20 0 CFADRP CCCC[C@@H](CN)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925699113 618952327 /nfs/dbraw/zinc/95/23/27/618952327.db2.gz MYXYEUWPBFQHKP-JKSUJKDBSA-N 2 0 263.429 2.574 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925703389 618957534 /nfs/dbraw/zinc/95/75/34/618957534.db2.gz DNCJEXQBWHKAKU-XGUBFFRZSA-N 2 0 294.508 2.886 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CC12CCSCC2 ZINC000925710600 618964198 /nfs/dbraw/zinc/96/41/98/618964198.db2.gz XCUYPQVWFJDLHP-ZIAGYGMSSA-N 2 0 280.481 2.784 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CC12CCSCC2 ZINC000925710595 618964298 /nfs/dbraw/zinc/96/42/98/618964298.db2.gz XCUYPQVWFJDLHP-UONOGXRCSA-N 2 0 280.481 2.784 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000925720718 618977675 /nfs/dbraw/zinc/97/76/75/618977675.db2.gz HVGZKBAUWTWUNT-VMDLYBMKSA-N 2 0 262.441 2.918 20 0 CFADRP Fc1cccc(CCCN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000257707200 618993114 /nfs/dbraw/zinc/99/31/14/618993114.db2.gz RPZWGDAZPHCWSN-MRXNPFEDSA-N 2 0 262.372 2.586 20 0 CFADRP C[C@@H]1CCN(Cc2ccccc2OC(F)F)C[C@H]1C[NH3+] ZINC000253178588 619006574 /nfs/dbraw/zinc/00/65/74/619006574.db2.gz BYOVHGBJIWRWOK-DGCLKSJQSA-N 2 0 284.350 2.705 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925726233 619009425 /nfs/dbraw/zinc/00/94/25/619009425.db2.gz GVSDRTWBUQIOKY-RANZSIQMSA-N 3 0 287.451 2.587 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000313872382 619020896 /nfs/dbraw/zinc/02/08/96/619020896.db2.gz AAJARAGUIJCBMF-UHFFFAOYSA-N 2 0 287.451 2.818 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000093515960 619034606 /nfs/dbraw/zinc/03/46/06/619034606.db2.gz NSIXCHLMSOZLPS-IRXDYDNUSA-N 2 0 281.488 2.763 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925731498 619038024 /nfs/dbraw/zinc/03/80/24/619038024.db2.gz SUKVYIRGGMAARV-QGZVFWFLSA-N 2 0 287.382 2.978 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925738151 619048356 /nfs/dbraw/zinc/04/83/56/619048356.db2.gz VZHWGAIKQZVVJF-JKSUJKDBSA-N 2 0 274.408 2.932 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cnn1C(C)(C)C ZINC000925739564 619050279 /nfs/dbraw/zinc/05/02/79/619050279.db2.gz YWNUQJJLBHKXPD-LLVKDONJSA-N 2 0 266.433 2.725 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000925740835 619050438 /nfs/dbraw/zinc/05/04/38/619050438.db2.gz LRSSMNPGQJHFGZ-ZDUSSCGKSA-N 2 0 266.360 2.756 20 0 CFADRP CCO[C@H]1C[C@@H]([NH+]2CCC([NH3+])(CC)CC2)C12CCCC2 ZINC000925756289 619066407 /nfs/dbraw/zinc/06/64/07/619066407.db2.gz KHDXHMPYKSWVRO-CABCVRRESA-N 2 0 280.456 2.928 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(Cl)c1 ZINC000258682667 619079747 /nfs/dbraw/zinc/07/97/47/619079747.db2.gz DDBYYELYPBNWNR-UHFFFAOYSA-N 2 0 268.788 2.708 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925771801 619085168 /nfs/dbraw/zinc/08/51/68/619085168.db2.gz DCVACWVZCVTKMH-BZUAXINKSA-N 2 0 280.456 2.846 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925772580 619087945 /nfs/dbraw/zinc/08/79/45/619087945.db2.gz IVQJYXNRFORBHZ-XKQJLSEDSA-N 2 0 289.423 2.601 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925773223 619089513 /nfs/dbraw/zinc/08/95/13/619089513.db2.gz AIKSRTOHUOJRGQ-RRFJBIMHSA-N 2 0 266.429 2.585 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925779740 619101904 /nfs/dbraw/zinc/10/19/04/619101904.db2.gz ZLPUZFMBUXODDE-CHWSQXEVSA-N 2 0 260.372 2.790 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000893620135 619103444 /nfs/dbraw/zinc/10/34/44/619103444.db2.gz GRNWKVNNIRGFBF-ROUUACIJSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1C(C)(C)C1(C)C ZINC000925781721 619103678 /nfs/dbraw/zinc/10/36/78/619103678.db2.gz JNVAHQFNAJYHOY-MNOVXSKESA-N 2 0 274.399 2.892 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1C(C)(C)C1(C)C ZINC000925781726 619103825 /nfs/dbraw/zinc/10/38/25/619103825.db2.gz JNVAHQFNAJYHOY-WDEREUQCSA-N 2 0 274.399 2.892 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1C(C)(C)C1(C)C ZINC000925781724 619103957 /nfs/dbraw/zinc/10/39/57/619103957.db2.gz JNVAHQFNAJYHOY-QWRGUYRKSA-N 2 0 274.399 2.892 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000094368454 619105453 /nfs/dbraw/zinc/10/54/53/619105453.db2.gz FNKCLSCKQZOZRR-HZPDHXFCSA-N 2 0 292.467 2.942 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000925783242 619107198 /nfs/dbraw/zinc/10/71/98/619107198.db2.gz DQAUHZSKZNRGBR-OSAQELSMSA-N 2 0 250.361 2.722 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925786377 619111681 /nfs/dbraw/zinc/11/16/81/619111681.db2.gz RTXBNZAQLURRAX-QXSJWSMHSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786543 619111688 /nfs/dbraw/zinc/11/16/88/619111688.db2.gz TXPDBKMYYLSCOW-NJAFHUGGSA-N 2 0 290.451 2.673 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000925790326 619114958 /nfs/dbraw/zinc/11/49/58/619114958.db2.gz HAOCMDXANHRVAW-WZRBSPASSA-N 2 0 284.350 2.794 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925790358 619115003 /nfs/dbraw/zinc/11/50/03/619115003.db2.gz HLYSMHHQTZZXGR-NFAWXSAZSA-N 2 0 262.397 2.591 20 0 CFADRP CN(CC[NH2+][C@H]1CCOC2(CCCC2)C1)C1CCCC1 ZINC000094372757 619115355 /nfs/dbraw/zinc/11/53/55/619115355.db2.gz XCTWOPWCIAKRNR-HNNXBMFYSA-N 2 0 280.456 2.942 20 0 CFADRP C(CN1CCCC1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094372127 619115528 /nfs/dbraw/zinc/11/55/28/619115528.db2.gz YLPSRCJOHATQCQ-HNNXBMFYSA-N 2 0 266.429 2.554 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000925791891 619116826 /nfs/dbraw/zinc/11/68/26/619116826.db2.gz SRXUQIWDRYVLRE-CDMKHQONSA-N 2 0 252.427 2.871 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)c(F)c1 ZINC000925798571 619120275 /nfs/dbraw/zinc/12/02/75/619120275.db2.gz LQPQBPJUZRHKFW-NTZNESFSSA-N 2 0 268.351 2.861 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[C@@H]([NH3+])C1 ZINC000925800938 619121793 /nfs/dbraw/zinc/12/17/93/619121793.db2.gz HECNNIBNQGFDJU-KBXIAJHMSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cn1 ZINC000925801587 619121868 /nfs/dbraw/zinc/12/18/68/619121868.db2.gz BOVHWLMWGPIQTK-IJLUTSLNSA-N 2 0 267.804 2.631 20 0 CFADRP c1ccc(C2(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925804822 619125261 /nfs/dbraw/zinc/12/52/61/619125261.db2.gz MVRXLUXEJLKSAB-MRXNPFEDSA-N 2 0 270.420 2.983 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccnn1C ZINC000925806711 619126704 /nfs/dbraw/zinc/12/67/04/619126704.db2.gz GRXYTFQWFATWNW-CQSZACIVSA-N 2 0 278.444 2.631 20 0 CFADRP C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)CCC1CC[NH2+]CC1 ZINC000925809083 619128000 /nfs/dbraw/zinc/12/80/00/619128000.db2.gz RRJKNGRXISRTAS-QGZVFWFLSA-N 3 0 293.499 2.811 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925810360 619128979 /nfs/dbraw/zinc/12/89/79/619128979.db2.gz ZKRHGBJYARFOIE-CYBMUJFWSA-N 2 0 264.417 2.620 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(F)c1 ZINC000925824594 619145935 /nfs/dbraw/zinc/14/59/35/619145935.db2.gz ZFKWERPMGFSENK-INMHGKMJSA-N 2 0 294.414 2.529 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925826348 619151367 /nfs/dbraw/zinc/15/13/67/619151367.db2.gz NBVFBEBWDPNENE-BMFZPTHFSA-N 2 0 280.456 2.831 20 0 CFADRP C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893686099 619156740 /nfs/dbraw/zinc/15/67/40/619156740.db2.gz WGIFKLSDGPRBLL-YPMHNXCESA-N 2 0 278.362 2.991 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925833016 619164474 /nfs/dbraw/zinc/16/44/74/619164474.db2.gz PZSRDJPRZUCHIE-CJNGLKHVSA-N 2 0 276.399 2.964 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000925834360 619165902 /nfs/dbraw/zinc/16/59/02/619165902.db2.gz WAGSHUVGTKMUCF-QWHCGFSZSA-N 2 0 262.397 2.617 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925835724 619166769 /nfs/dbraw/zinc/16/67/69/619166769.db2.gz TXDUBRRKDPBSAL-LBPRGKRZSA-N 2 0 264.438 2.539 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)c2ccccc21 ZINC000925838327 619169865 /nfs/dbraw/zinc/16/98/65/619169865.db2.gz WJVLCVYOUUZYPW-MSOLQXFVSA-N 2 0 293.414 2.784 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843274 619176183 /nfs/dbraw/zinc/17/61/83/619176183.db2.gz DLOVEQLLJQZCJF-OAHLLOKOSA-N 2 0 295.496 2.783 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861878 619188078 /nfs/dbraw/zinc/18/80/78/619188078.db2.gz USJYGSGIBBPYSJ-MQYQWHSLSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000925862281 619188367 /nfs/dbraw/zinc/18/83/67/619188367.db2.gz ZMUMFRMADHEMJO-YNEHKIRRSA-N 2 0 254.443 2.535 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000925862272 619188466 /nfs/dbraw/zinc/18/84/66/619188466.db2.gz ZMKBHALZERCOGE-MDZLAQPJSA-N 2 0 279.453 2.783 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925862380 619188510 /nfs/dbraw/zinc/18/85/10/619188510.db2.gz ZWPJTRVSAPLPHT-NEPJUHHUSA-N 2 0 254.443 2.535 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235162823 619190123 /nfs/dbraw/zinc/19/01/23/619190123.db2.gz QJJRSHQOPCRTNC-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925875673 619196113 /nfs/dbraw/zinc/19/61/13/619196113.db2.gz LRADIYIKOXUJPF-CBZIJGRNSA-N 3 0 293.499 2.747 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000925876262 619196419 /nfs/dbraw/zinc/19/64/19/619196419.db2.gz SAHDTOJPUGZMIG-JGGQBBKZSA-N 2 0 276.449 2.734 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000925877519 619197891 /nfs/dbraw/zinc/19/78/91/619197891.db2.gz RBMMBQCVJHPODK-UMNHJUIQSA-N 2 0 254.324 2.743 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879323 619199953 /nfs/dbraw/zinc/19/99/53/619199953.db2.gz BNBYRIAFCJKUBE-BZPMIXESSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cscn1 ZINC000925887130 619204637 /nfs/dbraw/zinc/20/46/37/619204637.db2.gz SHYXWOXMCQMYCK-DUVNUKRYSA-N 2 0 287.432 2.853 20 0 CFADRP C[NH+]1CCC(C[NH2+]C(C)(C)CC(F)(F)F)CC1 ZINC000893874983 619233213 /nfs/dbraw/zinc/23/32/13/619233213.db2.gz OUVZUZPXFXJFDH-UHFFFAOYSA-N 2 0 252.324 2.649 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924965752 619308333 /nfs/dbraw/zinc/30/83/33/619308333.db2.gz PGOJEFUVJFGMIQ-SOLBZPMBSA-N 2 0 293.499 2.737 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261935306 619329402 /nfs/dbraw/zinc/32/94/02/619329402.db2.gz DEJOIGCCGLLIAB-UHFFFAOYSA-N 2 0 274.408 2.579 20 0 CFADRP CCC(CC)(CC)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894377838 619357900 /nfs/dbraw/zinc/35/79/00/619357900.db2.gz IKMDDRPDTDOBOB-UHFFFAOYSA-N 2 0 283.504 2.820 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(-c2ccnn2C)c1 ZINC000262012441 619371143 /nfs/dbraw/zinc/37/11/43/619371143.db2.gz VFTIXUOLRFDEBX-PBHICJAKSA-N 2 0 298.434 2.565 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000894454926 619390543 /nfs/dbraw/zinc/39/05/43/619390543.db2.gz CHGLKHLMWZGOPM-JONQDZQNSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000894455912 619390801 /nfs/dbraw/zinc/39/08/01/619390801.db2.gz NOVUYZRCQKCLAF-CQSZACIVSA-N 2 0 282.378 2.827 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CC1CCC(OC)CC1 ZINC000894482038 619394645 /nfs/dbraw/zinc/39/46/45/619394645.db2.gz WERZKPQEOKJZPW-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)CC1CCC(OC)CC1 ZINC000894472075 619394798 /nfs/dbraw/zinc/39/47/98/619394798.db2.gz NPXFDONITUXOAE-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894479801 619397205 /nfs/dbraw/zinc/39/72/05/619397205.db2.gz QTVNLLMFFKWEPK-OAHLLOKOSA-N 2 0 292.423 2.842 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@@H]1C[C@]1(C)Br)C1CC1 ZINC000894807313 619471149 /nfs/dbraw/zinc/47/11/49/619471149.db2.gz SEHMUTFGZCZHEG-AAEUAGOBSA-N 2 0 289.261 2.624 20 0 CFADRP CCc1onc(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000894807833 619471302 /nfs/dbraw/zinc/47/13/02/619471302.db2.gz YRSPWFSACBHELW-UHFFFAOYSA-N 2 0 265.401 2.509 20 0 CFADRP CCC1(c2ccccc2)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894864210 619489208 /nfs/dbraw/zinc/48/92/08/619489208.db2.gz IMQQTERKDGBRGX-UHFFFAOYSA-N 2 0 272.436 2.992 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)c2c1 ZINC000895022107 619529051 /nfs/dbraw/zinc/52/90/51/619529051.db2.gz KNLGJSDQRNXDTB-CXAGYDPISA-N 2 0 297.402 2.774 20 0 CFADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000262087780 619533197 /nfs/dbraw/zinc/53/31/97/619533197.db2.gz UNNHEKOEFZJRQQ-UHFFFAOYSA-N 2 0 274.408 2.579 20 0 CFADRP Cc1cc(NC2CCC(C)([NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000895523407 619548851 /nfs/dbraw/zinc/54/88/51/619548851.db2.gz KWNAERBEXWYACO-UHFFFAOYSA-N 2 0 289.427 2.576 20 0 CFADRP COc1cc2c(N[C@H]3CC[N@H+](C)[C@@H]3C)cc[nH+]c2cc1F ZINC000895736634 619597395 /nfs/dbraw/zinc/59/73/95/619597395.db2.gz ODEPFXXITDAMFY-MFKMUULPSA-N 2 0 289.354 2.887 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC3(CCSCC3)CC2)CC1 ZINC000895737811 619598028 /nfs/dbraw/zinc/59/80/28/619598028.db2.gz ZEZOPACCTDDWLY-UHFFFAOYSA-N 2 0 282.497 2.937 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cn3ccnc3s2)CC1 ZINC000895823951 619615303 /nfs/dbraw/zinc/61/53/03/619615303.db2.gz VPDRXCBWLRNHJN-UHFFFAOYSA-N 2 0 292.452 2.748 20 0 CFADRP C[C@@H]1Cc2cc(CN3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)ccc2O1 ZINC000895843290 619617315 /nfs/dbraw/zinc/61/73/15/619617315.db2.gz OXVFNVATSJIIGH-FRFSOERESA-N 2 0 286.419 2.536 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC000895845393 619618255 /nfs/dbraw/zinc/61/82/55/619618255.db2.gz VQDMPXDQCLVHCK-QZTJIDSGSA-N 2 0 272.436 2.872 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](O)c1ccccc1 ZINC000895948839 619639936 /nfs/dbraw/zinc/63/99/36/619639936.db2.gz RXQHZDZORIITLR-PYWTVGQWSA-N 2 0 288.435 2.713 20 0 CFADRP CCc1nc(C)cc(NCCn2ccnc2C(C)C)n1 ZINC000895988054 619649642 /nfs/dbraw/zinc/64/96/42/619649642.db2.gz OLUWIBJNOBQFDU-UHFFFAOYSA-N 2 0 273.384 2.779 20 0 CFADRP Cc1c[nH+]ccc1NC1CCC(C)([NH+]2CCC2)CC1 ZINC000896254856 619703546 /nfs/dbraw/zinc/70/35/46/619703546.db2.gz KHODUCBUOXJSKS-UHFFFAOYSA-N 2 0 259.397 2.631 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)CC1 ZINC000896528738 619754191 /nfs/dbraw/zinc/75/41/91/619754191.db2.gz SKPJLWMRCBQVSS-OAHLLOKOSA-N 2 0 293.480 2.739 20 0 CFADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)nc1 ZINC000896951684 619903544 /nfs/dbraw/zinc/90/35/44/619903544.db2.gz QTQVOTAOKWDTMI-UHFFFAOYSA-N 2 0 289.423 2.587 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000925151653 619981030 /nfs/dbraw/zinc/98/10/30/619981030.db2.gz NDEXTLGEQZNAFG-MSOLQXFVSA-N 3 0 293.499 2.715 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216748 620028022 /nfs/dbraw/zinc/02/80/22/620028022.db2.gz UFRSVUDNYOBMSG-MRXNPFEDSA-N 2 0 297.531 2.919 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229311 620049323 /nfs/dbraw/zinc/04/93/23/620049323.db2.gz MZZPXRMYCIDEHP-RDHHWEPZSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000262709252 620059156 /nfs/dbraw/zinc/05/91/56/620059156.db2.gz OTMWPCRFHGOGSF-YOEHRIQHSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000179121538 620161048 /nfs/dbraw/zinc/16/10/48/620161048.db2.gz WFTORWQDXJQNKU-LLVKDONJSA-N 2 0 267.804 2.727 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@@H](C)C1 ZINC000897475723 620182012 /nfs/dbraw/zinc/18/20/12/620182012.db2.gz AZMIUCLTEVMSAO-JYJNAYRXSA-N 2 0 282.472 2.902 20 0 CFADRP CSC1CC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000925300427 620234806 /nfs/dbraw/zinc/23/48/06/620234806.db2.gz MFNXPNVJEXKXOE-UHFFFAOYSA-N 2 0 291.464 2.782 20 0 CFADRP Cc1ccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000841018761 620250350 /nfs/dbraw/zinc/25/03/50/620250350.db2.gz QUXGKTBCUXGAQO-SJORKVTESA-N 2 0 287.451 2.505 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4[nH]ccc43)C[C@]2(C)C1 ZINC000897621745 620260686 /nfs/dbraw/zinc/26/06/86/620260686.db2.gz QQFKEDINNURUSG-PBHICJAKSA-N 2 0 269.392 2.551 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000897849637 620293947 /nfs/dbraw/zinc/29/39/47/620293947.db2.gz YGCLRJGAOWIAAT-FSWDJPLFSA-N 2 0 292.467 2.533 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000897952723 620310071 /nfs/dbraw/zinc/31/00/71/620310071.db2.gz JPPSKGLDVAAHGK-CGTJXYLNSA-N 2 0 288.435 2.905 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+]C2CCN(C3CC3)CC2)O1 ZINC000898046890 620320781 /nfs/dbraw/zinc/32/07/81/620320781.db2.gz NUSXFHCDIQXYSJ-OAHLLOKOSA-N 2 0 266.429 2.551 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)O1 ZINC000898048318 620321257 /nfs/dbraw/zinc/32/12/57/620321257.db2.gz IROSUNKMMAGECS-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@@H](O)C3CC3)CC2)C1 ZINC000898203731 620344602 /nfs/dbraw/zinc/34/46/02/620344602.db2.gz HTFVTABAERFRHA-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000898262008 620360129 /nfs/dbraw/zinc/36/01/29/620360129.db2.gz WMAAALVIVBPJDV-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000898262007 620360193 /nfs/dbraw/zinc/36/01/93/620360193.db2.gz WMAAALVIVBPJDV-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP CC[C@H]1C[C@@H](C[N@H+](C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000898307411 620369757 /nfs/dbraw/zinc/36/97/57/620369757.db2.gz BKVFRWRWNOQJSV-GJZGRUSLSA-N 2 0 270.461 2.711 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSCCC(F)(F)F)[C@@H](C)C1 ZINC000866543792 620409816 /nfs/dbraw/zinc/40/98/16/620409816.db2.gz WWYPNBIQXXPSGL-NWDGAFQWSA-N 2 0 298.418 2.992 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)oc21 ZINC000841058827 620423180 /nfs/dbraw/zinc/42/31/80/620423180.db2.gz VUHITGWHUJALMK-QWHCGFSZSA-N 2 0 274.364 2.801 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924631145 620424269 /nfs/dbraw/zinc/42/42/69/620424269.db2.gz FLBIBYOSJNYOLA-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H](C)CN1CCCCC1 ZINC000924644463 620431291 /nfs/dbraw/zinc/43/12/91/620431291.db2.gz VOPQCKIQNLDQED-OAGGEKHMSA-N 2 0 270.461 2.780 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)c(F)c1 ZINC000873254767 620439745 /nfs/dbraw/zinc/43/97/45/620439745.db2.gz ACRHNMAXUSQZDN-FXPVBKGRSA-N 2 0 256.752 2.867 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000873257006 620440700 /nfs/dbraw/zinc/44/07/00/620440700.db2.gz CSMLUOXZTBOULG-QXEWZRGKSA-N 2 0 256.752 2.867 20 0 CFADRP CC(C)c1nc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cs1 ZINC000873258639 620441469 /nfs/dbraw/zinc/44/14/69/620441469.db2.gz SYZLAAWJMJDKLS-DCAQKATOSA-N 2 0 253.415 2.654 20 0 CFADRP CC(C)OC1CC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927035597 620444649 /nfs/dbraw/zinc/44/46/49/620444649.db2.gz BIKBQUAKSXPQBQ-UHFFFAOYSA-N 2 0 280.456 2.939 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(C)c32)C1 ZINC000924707280 620447935 /nfs/dbraw/zinc/44/79/35/620447935.db2.gz TYXFBWMQLRRUEX-GDBMZVCRSA-N 2 0 258.409 2.914 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000924712456 620450533 /nfs/dbraw/zinc/45/05/33/620450533.db2.gz BGLRRWWRNFXWMP-ARFHVFGLSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924712956 620450685 /nfs/dbraw/zinc/45/06/85/620450685.db2.gz CDLDMHZUMZPEAD-YOEHRIQHSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924726664 620455689 /nfs/dbraw/zinc/45/56/89/620455689.db2.gz PWADBEDXDAWEGG-GOEBONIOSA-N 2 0 276.424 2.825 20 0 CFADRP CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924744686 620506901 /nfs/dbraw/zinc/50/69/01/620506901.db2.gz BDVYDPRSDXEMQK-CRAIPNDOSA-N 2 0 289.467 2.883 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000927158139 620510527 /nfs/dbraw/zinc/51/05/27/620510527.db2.gz BAXIXZZNCWDPEY-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924750644 620524352 /nfs/dbraw/zinc/52/43/52/620524352.db2.gz GTZBUKVALVZZSS-YOEHRIQHSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000924751992 620529720 /nfs/dbraw/zinc/52/97/20/620529720.db2.gz MBJFBZCZWRFRQG-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)cc1 ZINC000899324014 620543953 /nfs/dbraw/zinc/54/39/53/620543953.db2.gz WXIGXBLAZAKUES-GTNSWQLSSA-N 2 0 252.361 2.799 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000251490242 620624675 /nfs/dbraw/zinc/62/46/75/620624675.db2.gz CYUWEQLWJWRWMX-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902078730 620969658 /nfs/dbraw/zinc/96/96/58/620969658.db2.gz NCYIYRADRDPUIG-CVEARBPZSA-N 2 0 273.424 2.753 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902319458 621023784 /nfs/dbraw/zinc/02/37/84/621023784.db2.gz LRXSZQUTXBTBEN-CVEARBPZSA-N 2 0 281.488 2.619 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902330343 621038343 /nfs/dbraw/zinc/03/83/43/621038343.db2.gz WLPINFKRWWPGMO-MRXNPFEDSA-N 2 0 281.488 2.619 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902332301 621039025 /nfs/dbraw/zinc/03/90/25/621039025.db2.gz FFNQFUFCQUXOMJ-MRXNPFEDSA-N 2 0 290.451 2.914 20 0 CFADRP CCSCC[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333231 621039429 /nfs/dbraw/zinc/03/94/29/621039429.db2.gz IQBPBYOMSUHMCQ-OLZOCXBDSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1cccc(F)c1 ZINC000902334432 621040117 /nfs/dbraw/zinc/04/01/17/621040117.db2.gz TXHFXHVEBAKWJX-UKRRQHHQSA-N 2 0 294.414 2.961 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1F ZINC000902336128 621040887 /nfs/dbraw/zinc/04/08/87/621040887.db2.gz YPAOINBWSDUUQU-KGLIPLIRSA-N 2 0 294.414 2.961 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902336641 621041867 /nfs/dbraw/zinc/04/18/67/621041867.db2.gz ZNGFOWROPWGSNK-JHJVBQTASA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902373403 621044822 /nfs/dbraw/zinc/04/48/22/621044822.db2.gz DDZUFPBUHLOVJM-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO[C@H]1C1CC1 ZINC000902373215 621044897 /nfs/dbraw/zinc/04/48/97/621044897.db2.gz BGQVOVKTCSDBMW-YQQAZPJKSA-N 2 0 280.456 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000902373152 621045211 /nfs/dbraw/zinc/04/52/11/621045211.db2.gz AEWWMFKFTOAQEY-QWHCGFSZSA-N 2 0 256.459 2.640 20 0 CFADRP CSCCCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376697 621047116 /nfs/dbraw/zinc/04/71/16/621047116.db2.gz MOSFQWMGPAYWES-CYBMUJFWSA-N 2 0 258.475 2.888 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CCCO)c2ccccc2)C1 ZINC000902359797 621052499 /nfs/dbraw/zinc/05/24/99/621052499.db2.gz IAOGVXXQCLLUHU-IAGOWNOFSA-N 2 0 290.451 2.868 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360205 621052614 /nfs/dbraw/zinc/05/26/14/621052614.db2.gz JWJHHPMIONKTQW-AWEZNQCLSA-N 2 0 270.461 2.686 20 0 CFADRP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCOC1)c1ccc(F)cc1F ZINC000902363045 621053832 /nfs/dbraw/zinc/05/38/32/621053832.db2.gz TULPKMRSQMIQMP-DOMZBBRYSA-N 2 0 284.350 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](O)c1cccc(F)c1 ZINC000902363148 621053837 /nfs/dbraw/zinc/05/38/37/621053837.db2.gz VBNAMFNDROVNJC-APHBMKBZSA-N 2 0 294.414 2.615 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2([C@H]3CCCCO3)CCC2)C1 ZINC000902405896 621055060 /nfs/dbraw/zinc/05/50/60/621055060.db2.gz LIXRBVYPCOAAGM-LSDHHAIUSA-N 2 0 280.456 2.846 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000902389178 621061501 /nfs/dbraw/zinc/06/15/01/621061501.db2.gz VPGOTWKMGDMVRH-RYUDHWBXSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000902392318 621062738 /nfs/dbraw/zinc/06/27/38/621062738.db2.gz GZMVKOMQQAPFAY-ZNMIVQPWSA-N 2 0 250.430 2.790 20 0 CFADRP CC(C)[C@@H]([NH3+])CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902391991 621062882 /nfs/dbraw/zinc/06/28/82/621062882.db2.gz DIQVVKOEWWPIDF-HOTGVXAUSA-N 3 0 299.409 2.708 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccn1 ZINC000902393479 621063181 /nfs/dbraw/zinc/06/31/81/621063181.db2.gz SAJYPWIBLHHCBZ-KBPBESRZSA-N 2 0 261.413 2.553 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)CO1 ZINC000902392775 621063753 /nfs/dbraw/zinc/06/37/53/621063753.db2.gz LZSHBQWQEPYEMJ-KFNAQCHYSA-N 2 0 298.377 2.902 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)C1 ZINC000902403276 621068917 /nfs/dbraw/zinc/06/89/17/621068917.db2.gz QXEOYGYFMQXJRG-HUUCEWRRSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+]C1(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000902404831 621069310 /nfs/dbraw/zinc/06/93/10/621069310.db2.gz FRDRZWBMSAMXSF-CQSZACIVSA-N 2 0 264.800 2.742 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)c2ccccc12 ZINC000902415262 621070432 /nfs/dbraw/zinc/07/04/32/621070432.db2.gz MQYVBYQYNAWRBL-GFCCVEGCSA-N 2 0 270.376 2.990 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000902428331 621075705 /nfs/dbraw/zinc/07/57/05/621075705.db2.gz BYIBWFMSCYMBTD-DUQPFJRNSA-N 2 0 294.483 2.828 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])OC1 ZINC000902428907 621076066 /nfs/dbraw/zinc/07/60/66/621076066.db2.gz HYHSFNAZROAPFB-ILXRZTDVSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428686 621076270 /nfs/dbraw/zinc/07/62/70/621076270.db2.gz GDVOKOPRQHACQU-UONOGXRCSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902432156 621077861 /nfs/dbraw/zinc/07/78/61/621077861.db2.gz VNKFNYJRIMNWCL-QAETUUGQSA-N 2 0 282.472 2.828 20 0 CFADRP CCc1ccc([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)s1 ZINC000902473289 621085503 /nfs/dbraw/zinc/08/55/03/621085503.db2.gz XCMHIWBQOPKGGA-JULQROHOSA-N 2 0 250.411 2.854 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)C1 ZINC000902474225 621086027 /nfs/dbraw/zinc/08/60/27/621086027.db2.gz DHKHOLFCJKWPBJ-FXXCCUJSSA-N 2 0 291.483 2.512 20 0 CFADRP CC1(C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902448027 621090426 /nfs/dbraw/zinc/09/04/26/621090426.db2.gz XCPXXNQGGUIXIQ-GLXZVYKSSA-N 2 0 280.481 2.779 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)[C@H]1CCCC[NH2+]1 ZINC000902450349 621091355 /nfs/dbraw/zinc/09/13/55/621091355.db2.gz CYKRXQRNRSEHHV-JHJVBQTASA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902455119 621093552 /nfs/dbraw/zinc/09/35/52/621093552.db2.gz IZZRGPXADMMYQN-YUTCNCBUSA-N 2 0 290.398 2.544 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CCS1 ZINC000902454739 621093621 /nfs/dbraw/zinc/09/36/21/621093621.db2.gz UNVZVGJJJMVXHW-GRYCIOLGSA-N 2 0 254.443 2.520 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccccc1 ZINC000902454390 621093628 /nfs/dbraw/zinc/09/36/28/621093628.db2.gz HJMLPYMSXINOTP-HNNXBMFYSA-N 2 0 296.374 2.793 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902455117 621093699 /nfs/dbraw/zinc/09/36/99/621093699.db2.gz IZZRGPXADMMYQN-IACUBPJLSA-N 2 0 290.398 2.544 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCS1 ZINC000902455221 621094270 /nfs/dbraw/zinc/09/42/70/621094270.db2.gz WXFOCQUPMHSFJD-FRRDWIJNSA-N 2 0 256.459 2.910 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461207 621096112 /nfs/dbraw/zinc/09/61/12/621096112.db2.gz MDTBEMPQICBTEC-LUKYLMHMSA-N 2 0 292.467 2.846 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902461063 621096263 /nfs/dbraw/zinc/09/62/63/621096263.db2.gz LFUWTEZVFYZULI-KGLIPLIRSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)C1 ZINC000902464861 621098313 /nfs/dbraw/zinc/09/83/13/621098313.db2.gz DHKHOLFCJKWPBJ-PLLDYVMSSA-N 2 0 291.483 2.512 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902490970 621102161 /nfs/dbraw/zinc/10/21/61/621102161.db2.gz ZKIOMUCIJPNLDA-UMVBOHGHSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487160 621111909 /nfs/dbraw/zinc/11/19/09/621111909.db2.gz IXOQYVBVZPGINU-YRGRVCCFSA-N 2 0 258.365 2.691 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000902486583 621112207 /nfs/dbraw/zinc/11/22/07/621112207.db2.gz QWOMDCKLIUHKFI-BQGCOEIASA-N 2 0 292.398 2.620 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902487387 621112697 /nfs/dbraw/zinc/11/26/97/621112697.db2.gz UGZAPVAKJFZERC-VGWMRTNUSA-N 2 0 273.424 2.743 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000902487297 621112786 /nfs/dbraw/zinc/11/27/86/621112786.db2.gz SOTOKDHYJNXGQK-QAETUUGQSA-N 2 0 258.409 2.725 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000902489419 621112886 /nfs/dbraw/zinc/11/28/86/621112886.db2.gz QODSYNHLNHFDND-CHIMOYNISA-N 2 0 254.324 2.743 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000902488748 621113171 /nfs/dbraw/zinc/11/31/71/621113171.db2.gz NKNCEWKMEVVWJU-JKOKRWQUSA-N 2 0 280.799 2.881 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCOc2cccc(F)c2)C1 ZINC000902517432 621115741 /nfs/dbraw/zinc/11/57/41/621115741.db2.gz MJGASEQWZXLWFB-OAHLLOKOSA-N 2 0 294.414 2.962 20 0 CFADRP Cl/C=C\C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902523073 621116919 /nfs/dbraw/zinc/11/69/19/621116919.db2.gz ZTTASPKMPHJDLN-ZUOIRFBWSA-N 2 0 278.783 2.584 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000902527666 621118258 /nfs/dbraw/zinc/11/82/58/621118258.db2.gz LTPQQLBTUJQRAQ-DLBZAZTESA-N 2 0 291.439 2.699 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902719953 621156255 /nfs/dbraw/zinc/15/62/55/621156255.db2.gz AHOOQERKNKZDRB-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902724959 621158157 /nfs/dbraw/zinc/15/81/57/621158157.db2.gz MRSNFENPERIJQV-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902737454 621161921 /nfs/dbraw/zinc/16/19/21/621161921.db2.gz YPHHUGARVOWBIQ-NNPSNHGLSA-N 2 0 292.467 2.510 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902753013 621165133 /nfs/dbraw/zinc/16/51/33/621165133.db2.gz NTGIAVGRJPJPRN-CVEARBPZSA-N 2 0 298.434 2.865 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]C3CCC([NH3+])CC3)ccc2O1 ZINC000071170381 625469168 /nfs/dbraw/zinc/46/91/68/625469168.db2.gz PTLVEVJOIPJLOX-UHFFFAOYSA-N 2 0 274.408 2.760 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000902794067 621178441 /nfs/dbraw/zinc/17/84/41/621178441.db2.gz RZAAZTQGHBRRRF-KRWDZBQOSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902794863 621178951 /nfs/dbraw/zinc/17/89/51/621178951.db2.gz ZMTFQXOXYIOFMZ-PBHICJAKSA-N 2 0 288.435 2.558 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902897574 621196934 /nfs/dbraw/zinc/19/69/34/621196934.db2.gz UFAUBCFKINBXAS-ROUUACIJSA-N 2 0 292.467 2.823 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902881371 621198634 /nfs/dbraw/zinc/19/86/34/621198634.db2.gz PDYHHUSXKYXKTO-KJWYOANISA-N 2 0 292.467 2.533 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCOCC1 ZINC000902897239 621202281 /nfs/dbraw/zinc/20/22/81/621202281.db2.gz QCDSPCKVPBROTR-KRWDZBQOSA-N 2 0 280.456 2.679 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000902993479 621219752 /nfs/dbraw/zinc/21/97/52/621219752.db2.gz SZWCCXFIHMYUQK-QDMKHBRRSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903057310 621236094 /nfs/dbraw/zinc/23/60/94/621236094.db2.gz BKKVFJYMMKUWJE-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP C(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C[NH+]1CCCCC1 ZINC000903058691 621236583 /nfs/dbraw/zinc/23/65/83/621236583.db2.gz JRHLTQYDMCQQCB-ZNXRZULTSA-N 2 0 291.483 2.610 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000903062267 621237464 /nfs/dbraw/zinc/23/74/64/621237464.db2.gz PXSYINRRQLQYFS-ROUUACIJSA-N 2 0 288.435 2.940 20 0 CFADRP c1ccc2c(c1)C[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O2 ZINC000903061121 621237528 /nfs/dbraw/zinc/23/75/28/621237528.db2.gz AQCVLDRXDHABLR-ONQFOCNCSA-N 2 0 298.430 2.738 20 0 CFADRP c1ccc2c(c1)C[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O2 ZINC000903061120 621237740 /nfs/dbraw/zinc/23/77/40/621237740.db2.gz AQCVLDRXDHABLR-NXCDMZCRSA-N 2 0 298.430 2.738 20 0 CFADRP C[C@@H](C[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903065962 621238737 /nfs/dbraw/zinc/23/87/37/621238737.db2.gz JJUQGRMJTJTRFO-UNPWZGGWSA-N 2 0 291.483 2.608 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)CC1 ZINC000903067716 621239832 /nfs/dbraw/zinc/23/98/32/621239832.db2.gz WEWYFXYRJOVTDW-BSDSXHPESA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903091022 621249137 /nfs/dbraw/zinc/24/91/37/621249137.db2.gz LOJQLUOGMSQVLG-CVEARBPZSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903106100 621255553 /nfs/dbraw/zinc/25/55/53/621255553.db2.gz DZAPXAUCPQDZDC-ZZWQRTMASA-N 2 0 291.483 2.607 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903091833 621256922 /nfs/dbraw/zinc/25/69/22/621256922.db2.gz BGUXOIXQWXDVSX-ONQFOCNCSA-N 2 0 291.483 2.608 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903110334 621257013 /nfs/dbraw/zinc/25/70/13/621257013.db2.gz NQOXPTAVKKWOIW-SXPAGVDESA-N 2 0 278.440 2.547 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000903160997 621271168 /nfs/dbraw/zinc/27/11/68/621271168.db2.gz CIOJJBBUGCZEQW-UKMLZYKCSA-N 2 0 250.430 2.743 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@H]2CCC[C@@H]21 ZINC000903161985 621271351 /nfs/dbraw/zinc/27/13/51/621271351.db2.gz SAGNRCNVVFEYNZ-NRKLIOEPSA-N 2 0 262.441 2.885 20 0 CFADRP C(C[C@@H]1C[C@H]1C1CC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903162126 621271719 /nfs/dbraw/zinc/27/17/19/621271719.db2.gz XXSAZQXCOJZWGH-WBVHZDCISA-N 2 0 262.441 2.887 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000903183017 621277512 /nfs/dbraw/zinc/27/75/12/621277512.db2.gz XREQOGDJWLZJDT-UHFFFAOYSA-N 2 0 287.451 2.923 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@H]1C1CCC1)C2 ZINC000903193504 621280737 /nfs/dbraw/zinc/28/07/37/621280737.db2.gz XJCWUVUMIPNRKE-DQOFTXQYSA-N 2 0 260.425 2.922 20 0 CFADRP CC1(C)OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903204232 621285404 /nfs/dbraw/zinc/28/54/04/621285404.db2.gz RXYVYRMPQPFJQD-WPXLMEDKSA-N 2 0 278.440 2.549 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903188108 621286043 /nfs/dbraw/zinc/28/60/43/621286043.db2.gz YHOMKBYEFWPMRJ-LQDVMPOASA-N 2 0 280.456 2.531 20 0 CFADRP CS[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903210994 621288805 /nfs/dbraw/zinc/28/88/05/621288805.db2.gz CZJAQDXPYOOZRX-ILVQKWPXSA-N 2 0 266.454 2.628 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCC2(CCC2)O1 ZINC000903218108 621291308 /nfs/dbraw/zinc/29/13/08/621291308.db2.gz ALWCWRPIHZZASK-CVGRLMLNSA-N 2 0 290.451 2.836 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903222279 621292881 /nfs/dbraw/zinc/29/28/81/621292881.db2.gz ZQLPSBUSPRQCRB-HJYMDDGLSA-N 2 0 292.467 2.939 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000903283291 621305795 /nfs/dbraw/zinc/30/57/95/621305795.db2.gz JURALSZOCOGFHI-TZMCWYRMSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC[N@@H+]1C ZINC000903299567 621314509 /nfs/dbraw/zinc/31/45/09/621314509.db2.gz BIZJFMLKRXJSTK-AHCXZYCDSA-N 2 0 293.499 2.712 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000903354721 621345452 /nfs/dbraw/zinc/34/54/52/621345452.db2.gz XILJAOFOSVEDDM-KGLIPLIRSA-N 2 0 298.471 2.674 20 0 CFADRP CC[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903385487 621357061 /nfs/dbraw/zinc/35/70/61/621357061.db2.gz XKPRIPADVDNZJF-JKSUJKDBSA-N 2 0 261.413 2.853 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C[NH+](C)C)c1 ZINC000903390766 621360407 /nfs/dbraw/zinc/36/04/07/621360407.db2.gz IQHGVLVMZDCYKV-STQMWFEESA-N 2 0 264.413 2.558 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430802 621371883 /nfs/dbraw/zinc/37/18/83/621371883.db2.gz CBCFJEZTBIMGQN-HIFRSBDPSA-N 2 0 280.387 2.654 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(COc3ccccc3)CC2)C1 ZINC000903432518 621372864 /nfs/dbraw/zinc/37/28/64/621372864.db2.gz DJGFYRRDQVMFEQ-DLBZAZTESA-N 2 0 288.435 2.905 20 0 CFADRP CC[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435098 621373477 /nfs/dbraw/zinc/37/34/77/621373477.db2.gz OCWLGODUXNPQMU-NEPJUHHUSA-N 2 0 268.351 2.914 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(OC3CCCC3)CC2)C1 ZINC000903435430 621373801 /nfs/dbraw/zinc/37/38/01/621373801.db2.gz TWXKQDOZEOJVNF-UONOGXRCSA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCc2cccc(F)c2)C2CC2)C1 ZINC000903438528 621375290 /nfs/dbraw/zinc/37/52/90/621375290.db2.gz XJMFHKFGKVDJPV-GOEBONIOSA-N 2 0 276.399 2.960 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000903438481 621375533 /nfs/dbraw/zinc/37/55/33/621375533.db2.gz WJODRHYSPVCUHE-YQQAZPJKSA-N 2 0 276.399 2.818 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](c2ccsc2)O1 ZINC000903440113 621376790 /nfs/dbraw/zinc/37/67/90/621376790.db2.gz TWNXNBJQFVIKMB-NEBZKDRISA-N 2 0 280.437 2.637 20 0 CFADRP C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440197 621377042 /nfs/dbraw/zinc/37/70/42/621377042.db2.gz WEKQRWOBVHFDCJ-OCCSQVGLSA-N 2 0 258.365 2.992 20 0 CFADRP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441311 621377702 /nfs/dbraw/zinc/37/77/02/621377702.db2.gz NAXUZPKFDVOTIP-WBVHZDCISA-N 2 0 287.451 2.846 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903423048 621379042 /nfs/dbraw/zinc/37/90/42/621379042.db2.gz ONTQOPIVANDXOL-GFCCVEGCSA-N 2 0 257.381 2.727 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903423049 621379290 /nfs/dbraw/zinc/37/92/90/621379290.db2.gz ONTQOPIVANDXOL-LBPRGKRZSA-N 2 0 257.381 2.727 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000903458936 621380332 /nfs/dbraw/zinc/38/03/32/621380332.db2.gz NIQTYXYCZAZFDQ-WZRBSPASSA-N 2 0 284.350 2.794 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000903459744 621380458 /nfs/dbraw/zinc/38/04/58/621380458.db2.gz YSXNBTBCAYMZHH-INWMFGNUSA-N 2 0 262.397 2.863 20 0 CFADRP CCc1ccc2ccccc2c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458785 621380528 /nfs/dbraw/zinc/38/05/28/621380528.db2.gz JSDNIZULJVMFAW-KRWDZBQOSA-N 2 0 298.430 2.952 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903459292 621380849 /nfs/dbraw/zinc/38/08/49/621380849.db2.gz GAYSMDAGRPBGDN-XJKCOSOUSA-N 2 0 271.408 2.973 20 0 CFADRP CCC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC[NH2+]CC1 ZINC000903445597 621384041 /nfs/dbraw/zinc/38/40/41/621384041.db2.gz MIEVCIDBAIEWAP-UBSAEIQESA-N 2 0 272.383 2.742 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@@H]21 ZINC000903447314 621385166 /nfs/dbraw/zinc/38/51/66/621385166.db2.gz OCPMNWOQKNZISE-OWCLPIDISA-N 2 0 269.392 2.727 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470414 621389230 /nfs/dbraw/zinc/38/92/30/621389230.db2.gz BDXRMAXDUQOMBO-VXGBXAGGSA-N 2 0 258.356 2.686 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COCc1ccccc1 ZINC000903473096 621389826 /nfs/dbraw/zinc/38/98/26/621389826.db2.gz ZTJMUYYHWCCOHF-RDJZCZTQSA-N 2 0 288.435 2.714 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903475823 621390302 /nfs/dbraw/zinc/39/03/02/621390302.db2.gz FAIPESTZANCZGR-XFMPKHEZSA-N 2 0 286.410 2.975 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(Cc3nccs3)CC2)C1 ZINC000903476583 621390592 /nfs/dbraw/zinc/39/05/92/621390592.db2.gz BKTMUCIHFIQBLF-UONOGXRCSA-N 2 0 279.453 2.525 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903481598 621391840 /nfs/dbraw/zinc/39/18/40/621391840.db2.gz HJGGYKXGKQUALT-BHYGNILZSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000903482395 621392346 /nfs/dbraw/zinc/39/23/46/621392346.db2.gz GAEQQRLSCMYBSC-MVJTYMMSSA-N 3 0 293.499 2.733 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499797 621394201 /nfs/dbraw/zinc/39/42/01/621394201.db2.gz OKUWWDFDPUYIAC-TZMCWYRMSA-N 2 0 299.418 2.576 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1CC[NH3+] ZINC000903496744 621394635 /nfs/dbraw/zinc/39/46/35/621394635.db2.gz BFPXAEZHQSYLFM-AXAPSJFSSA-N 2 0 262.372 2.730 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000903490941 621394814 /nfs/dbraw/zinc/39/48/14/621394814.db2.gz NYJDDOJIGVAERP-NSHDSACASA-N 2 0 282.325 2.872 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496915 621394975 /nfs/dbraw/zinc/39/49/75/621394975.db2.gz KDEHVTORAYNMHD-GDBMZVCRSA-N 2 0 276.424 2.545 20 0 CFADRP C[NH2+]C[C@@H]1CCCCN1Cc1ccc2cc[nH]c2c1 ZINC000903527361 621395158 /nfs/dbraw/zinc/39/51/58/621395158.db2.gz WNGRTVLMPHTVPO-HNNXBMFYSA-N 2 0 257.381 2.742 20 0 CFADRP c1csc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903565840 621396464 /nfs/dbraw/zinc/39/64/64/621396464.db2.gz SQDBXZJGVJTFNG-LSDHHAIUSA-N 2 0 293.480 2.787 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000903565620 621396648 /nfs/dbraw/zinc/39/66/48/621396648.db2.gz OCHXOJQSRQSMAH-MELADBBJSA-N 2 0 279.453 2.525 20 0 CFADRP c1csc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903565838 621396797 /nfs/dbraw/zinc/39/67/97/621396797.db2.gz SQDBXZJGVJTFNG-GJZGRUSLSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000903565031 621396880 /nfs/dbraw/zinc/39/68/80/621396880.db2.gz CTBIMTBSQQQIRE-IJEWVQPXSA-N 2 0 286.419 2.878 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903718838 621425170 /nfs/dbraw/zinc/42/51/70/621425170.db2.gz RSZMGLPCGUGUCV-IJEWVQPXSA-N 2 0 292.448 2.654 20 0 CFADRP C[C@H]([N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903721617 621426055 /nfs/dbraw/zinc/42/60/55/621426055.db2.gz BSHLLSCUDCGXEC-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903721683 621426086 /nfs/dbraw/zinc/42/60/86/621426086.db2.gz DFMSIOONMHHRLB-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+](CC1CCCCC1)C1CC1 ZINC000903723836 621427552 /nfs/dbraw/zinc/42/75/52/621427552.db2.gz YNAQSXYLYZVKJI-ROUUACIJSA-N 2 0 292.467 2.800 20 0 CFADRP C(C1CC1)[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903725761 621428018 /nfs/dbraw/zinc/42/80/18/621428018.db2.gz GWTABGBHJJATBQ-MSOLQXFVSA-N 2 0 292.467 2.800 20 0 CFADRP CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)C(C)C ZINC000903726944 621428335 /nfs/dbraw/zinc/42/83/35/621428335.db2.gz PERJUEZKKUAZLO-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCCCC1 ZINC000903727951 621428710 /nfs/dbraw/zinc/42/87/10/621428710.db2.gz ZWAKHKLNCDLNQM-DLBZAZTESA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728384 621429025 /nfs/dbraw/zinc/42/90/25/621429025.db2.gz AEOLFOPWSISCJY-QZWWFDLISA-N 2 0 292.467 2.798 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903729534 621429775 /nfs/dbraw/zinc/42/97/75/621429775.db2.gz OAMKYYJGAPXRKC-CQSZACIVSA-N 2 0 294.464 2.647 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903716236 621431308 /nfs/dbraw/zinc/43/13/08/621431308.db2.gz KFSVFWYDEARVJZ-OCCSQVGLSA-N 2 0 250.361 2.715 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903747557 621432006 /nfs/dbraw/zinc/43/20/06/621432006.db2.gz UAHNAORZEQJAEI-CQSZACIVSA-N 2 0 286.778 2.529 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccccc1CF ZINC000903750103 621432317 /nfs/dbraw/zinc/43/23/17/621432317.db2.gz UVFQPLSQNZDFKP-OAHLLOKOSA-N 2 0 250.361 2.859 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)ccn1 ZINC000903751524 621433011 /nfs/dbraw/zinc/43/30/11/621433011.db2.gz GFHYJWXPBVLPQJ-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903759842 621436229 /nfs/dbraw/zinc/43/62/29/621436229.db2.gz RYDKPZLFOBNUNK-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1CF)C2 ZINC000903763205 621436576 /nfs/dbraw/zinc/43/65/76/621436576.db2.gz IJFACFJCENKRES-HOTGVXAUSA-N 2 0 262.372 2.717 20 0 CFADRP C[N@H+](CCC(C)(C)C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764271 621436599 /nfs/dbraw/zinc/43/65/99/621436599.db2.gz QQUQBLBQNLLCMP-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766870 621437133 /nfs/dbraw/zinc/43/71/33/621437133.db2.gz CDRBFRVUZWMSKJ-KSZLIROESA-N 2 0 292.467 2.800 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCCC2)[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903768639 621437648 /nfs/dbraw/zinc/43/76/48/621437648.db2.gz NZPMCGJCSAGASO-IKGGRYGDSA-N 2 0 292.467 2.848 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccccn2)CC1 ZINC000903792715 621438957 /nfs/dbraw/zinc/43/89/57/621438957.db2.gz HFLSLUUBVGAHBF-UHFFFAOYSA-N 2 0 281.403 2.574 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000903792543 621439134 /nfs/dbraw/zinc/43/91/34/621439134.db2.gz DIAOEGTZZRIGNS-KRWDZBQOSA-N 2 0 288.435 2.548 20 0 CFADRP CC(C)OCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793686 621439355 /nfs/dbraw/zinc/43/93/55/621439355.db2.gz IJDFHHPABPTWAK-UHFFFAOYSA-N 2 0 290.451 2.794 20 0 CFADRP CCSCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793977 621439530 /nfs/dbraw/zinc/43/95/30/621439530.db2.gz LTYZAQDNWGWNBY-UHFFFAOYSA-N 2 0 278.465 2.732 20 0 CFADRP COCCCCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794151 621439544 /nfs/dbraw/zinc/43/95/44/621439544.db2.gz OXHHMCXTWDCCOT-UHFFFAOYSA-N 2 0 290.451 2.796 20 0 CFADRP CC1([NH+]2CCCCC2)CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903780490 621440812 /nfs/dbraw/zinc/44/08/12/621440812.db2.gz HOMUHDKNLKLIQB-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903813993 621448132 /nfs/dbraw/zinc/44/81/32/621448132.db2.gz DSPBQFIREQNHHT-UHFFFAOYSA-N 2 0 288.435 2.648 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903832350 621452066 /nfs/dbraw/zinc/45/20/66/621452066.db2.gz QJTZMICQJVKLGM-ZDUSSCGKSA-N 2 0 267.442 2.527 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903863128 621459031 /nfs/dbraw/zinc/45/90/31/621459031.db2.gz JDIOECCQDRUWBI-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903864141 621459498 /nfs/dbraw/zinc/45/94/98/621459498.db2.gz SEPHSMPWQOGKLX-CVEARBPZSA-N 2 0 276.424 2.687 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000903864181 621459591 /nfs/dbraw/zinc/45/95/91/621459591.db2.gz SVOOWTSTXNBUEL-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP CN1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](c2ccccc2)C1 ZINC000903873050 621462200 /nfs/dbraw/zinc/46/22/00/621462200.db2.gz FAGAPCHIHMMBGM-DQXYTYHJSA-N 2 0 299.462 2.506 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903899843 621467877 /nfs/dbraw/zinc/46/78/77/621467877.db2.gz WQSSIVYQATXOMW-AVOUXACISA-N 2 0 270.486 2.981 20 0 CFADRP CCC[C@@H]1CCCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908701 621470957 /nfs/dbraw/zinc/47/09/57/621470957.db2.gz OKQPQPHLAAHNIX-DOTOQJQBSA-N 2 0 292.471 2.501 20 0 CFADRP CN(C[C@H]([NH3+])CC(F)F)C(C)(C)C[NH+]1CCCCCC1 ZINC000903911215 621471583 /nfs/dbraw/zinc/47/15/83/621471583.db2.gz ZBOGRBWCCRUIOZ-CYBMUJFWSA-N 2 0 291.430 2.555 20 0 CFADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918370 621473087 /nfs/dbraw/zinc/47/30/87/621473087.db2.gz XVJMNTGOLMKTTP-XYTAGDGMSA-N 2 0 276.346 2.790 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000903918750 621473111 /nfs/dbraw/zinc/47/31/11/621473111.db2.gz GVSDRTWBUQIOKY-NXCDMZCRSA-N 3 0 287.451 2.587 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000903939139 621473116 /nfs/dbraw/zinc/47/31/16/621473116.db2.gz RATVODANNWVNPV-UHFFFAOYSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921849 621473798 /nfs/dbraw/zinc/47/37/98/621473798.db2.gz RHCLQSYAZKGFCL-WPXLMEDKSA-N 2 0 292.398 2.713 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921551 621473821 /nfs/dbraw/zinc/47/38/21/621473821.db2.gz PCBXXKWCIKCKQU-DSZSVDOYSA-N 2 0 286.419 2.803 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924478 621474371 /nfs/dbraw/zinc/47/43/71/621474371.db2.gz DMCPJJTWDYVROF-LMBMLGAESA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924477 621474478 /nfs/dbraw/zinc/47/44/78/621474478.db2.gz DMCPJJTWDYVROF-HZAFXNSLSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000903938862 621475796 /nfs/dbraw/zinc/47/57/96/621475796.db2.gz NTSQOSFRLHIKMY-UHFFFAOYSA-N 2 0 299.418 2.878 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932323 621476561 /nfs/dbraw/zinc/47/65/61/621476561.db2.gz BCDJZXXBSMBARW-YYDPCCRISA-N 2 0 256.393 2.794 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903932668 621476764 /nfs/dbraw/zinc/47/67/64/621476764.db2.gz FEBHTTZGFOLKLS-FZMZJTMJSA-N 2 0 268.351 2.945 20 0 CFADRP COc1cccc2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903933964 621477092 /nfs/dbraw/zinc/47/70/92/621477092.db2.gz CCUMUOBJRNCECZ-LQDVMPOASA-N 2 0 272.392 2.541 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903938474 621478231 /nfs/dbraw/zinc/47/82/31/621478231.db2.gz DAYBFXROTDZQOP-UHFFFAOYSA-N 2 0 272.396 2.602 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000903959741 621480212 /nfs/dbraw/zinc/48/02/12/621480212.db2.gz NJLLXVMJRIHAEY-BBWFWOEESA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000903959742 621480308 /nfs/dbraw/zinc/48/03/08/621480308.db2.gz NJLLXVMJRIHAEY-BRWVUGGUSA-N 2 0 280.456 2.657 20 0 CFADRP COCC[N@H+](Cc1ccc(C)c(C)c1)C[C@]1(C)CC[NH2+]C1 ZINC000903959719 621480392 /nfs/dbraw/zinc/48/03/92/621480392.db2.gz MZEGTCDGIMRXSB-GOSISDBHSA-N 2 0 290.451 2.751 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000903948347 621485533 /nfs/dbraw/zinc/48/55/33/621485533.db2.gz OAPDXAKUBZWLSC-SOLBZPMBSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000903955697 621490031 /nfs/dbraw/zinc/49/00/31/621490031.db2.gz AKYMCAXJVOJANI-HIFRSBDPSA-N 2 0 282.378 2.700 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956174 621490929 /nfs/dbraw/zinc/49/09/29/621490929.db2.gz IICGYMQLUOYYCN-HUUCEWRRSA-N 2 0 282.378 2.842 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956172 621491083 /nfs/dbraw/zinc/49/10/83/621491083.db2.gz IICGYMQLUOYYCN-CABCVRRESA-N 2 0 282.378 2.842 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000903973912 621492318 /nfs/dbraw/zinc/49/23/18/621492318.db2.gz IVTYECCATSALNW-MZSZDEQASA-N 2 0 262.372 2.674 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2ncccc2c1 ZINC000903974351 621492982 /nfs/dbraw/zinc/49/29/82/621492982.db2.gz PCKDTXHPUKBURK-CZUORRHYSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974772 621493033 /nfs/dbraw/zinc/49/30/33/621493033.db2.gz RZFDEKXOKFCJBH-BFYDXBDKSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccnc2ccccc12 ZINC000903974775 621493092 /nfs/dbraw/zinc/49/30/92/621493092.db2.gz RZOZVYJFHQCEHF-ZIAGYGMSSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978693 621494033 /nfs/dbraw/zinc/49/40/33/621494033.db2.gz KQJUQTCILBOKKU-IJEWVQPXSA-N 2 0 278.415 2.982 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]1 ZINC000903978957 621494056 /nfs/dbraw/zinc/49/40/56/621494056.db2.gz PSLNIJCTFFVNBZ-GRYCIOLGSA-N 2 0 294.336 2.741 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978820 621494127 /nfs/dbraw/zinc/49/41/27/621494127.db2.gz YCFSINUODOQYAG-HZPDHXFCSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000903963970 621495828 /nfs/dbraw/zinc/49/58/28/621495828.db2.gz BMWXGWVGHJFNHE-KOLCDFICSA-N 2 0 290.304 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000903967745 621496266 /nfs/dbraw/zinc/49/62/66/621496266.db2.gz MTDQASUJMJPKTQ-UOJCXKCYSA-N 2 0 276.399 2.907 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000903965193 621496388 /nfs/dbraw/zinc/49/63/88/621496388.db2.gz ZPRMWMDUNCEYPW-PBHICJAKSA-N 2 0 281.403 2.694 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968181 621496732 /nfs/dbraw/zinc/49/67/32/621496732.db2.gz RJSGWDNAUZVXCV-MXWKQRLJSA-N 2 0 252.324 2.553 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]21 ZINC000904302616 621568699 /nfs/dbraw/zinc/56/86/99/621568699.db2.gz XFKNPVHHFHARAB-IXDOHACOSA-N 2 0 286.419 2.571 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308248 621570023 /nfs/dbraw/zinc/57/00/23/621570023.db2.gz NWFYIIRDTPKMDU-FOGDFJRCSA-N 2 0 254.324 2.695 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904312488 621570977 /nfs/dbraw/zinc/57/09/77/621570977.db2.gz QZACZEPWPDFNDS-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)C1 ZINC000904337881 621572153 /nfs/dbraw/zinc/57/21/53/621572153.db2.gz HPKWXJNUVPEQTM-YESZJQIVSA-N 2 0 258.409 2.678 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2Cc2ccccc2)C1 ZINC000904316535 621572328 /nfs/dbraw/zinc/57/23/28/621572328.db2.gz ONNHXCTZQUISPG-BBWFWOEESA-N 2 0 258.409 2.821 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000904320584 621573487 /nfs/dbraw/zinc/57/34/87/621573487.db2.gz LTUAJNFQPIXHMV-NVBFEUDRSA-N 2 0 266.335 2.839 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904320715 621573660 /nfs/dbraw/zinc/57/36/60/621573660.db2.gz NBWTZDGECVIUBS-RHSMWYFYSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322625 621573947 /nfs/dbraw/zinc/57/39/47/621573947.db2.gz FUHCULUYFPJBHS-CORIIIEPSA-N 2 0 266.816 2.940 20 0 CFADRP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322728 621573956 /nfs/dbraw/zinc/57/39/56/621573956.db2.gz ISQWOTWLWHWQNZ-CAVOSLQRSA-N 2 0 262.372 2.741 20 0 CFADRP CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322680 621574149 /nfs/dbraw/zinc/57/41/49/621574149.db2.gz HACHEDLJKWQIMY-ROUUACIJSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904321904 621574534 /nfs/dbraw/zinc/57/45/34/621574534.db2.gz JVXKFYVSEGJTPJ-IMJJTQAJSA-N 2 0 276.449 2.822 20 0 CFADRP C[C@@H]1C[C@@H](N(C)C[C@@H]([NH3+])CCC(C)(C)C)CC[N@@H+]1C ZINC000904323383 621574864 /nfs/dbraw/zinc/57/48/64/621574864.db2.gz PHQGCWMDKPBIEN-ILXRZTDVSA-N 2 0 269.477 2.555 20 0 CFADRP C[C@@H]1SCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000904324111 621575103 /nfs/dbraw/zinc/57/51/03/621575103.db2.gz UVRNJOYSNPALQO-WMHQRMGPSA-N 2 0 276.449 2.902 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904326574 621576217 /nfs/dbraw/zinc/57/62/17/621576217.db2.gz MWDSDDSVNRJUCS-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](COc3ccccc3)C2)CCC[NH2+]C1 ZINC000904330784 621577169 /nfs/dbraw/zinc/57/71/69/621577169.db2.gz CHJITXJIVQYZOA-WMZOPIPTSA-N 2 0 288.435 2.777 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904340177 621578077 /nfs/dbraw/zinc/57/80/77/621578077.db2.gz FTZSVPZGDRDXBP-LSDHHAIUSA-N 2 0 269.477 2.556 20 0 CFADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341837 621578360 /nfs/dbraw/zinc/57/83/60/621578360.db2.gz XBSUNDNLMJDURJ-FJJYHAOUSA-N 2 0 282.815 2.743 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904346354 621579654 /nfs/dbraw/zinc/57/96/54/621579654.db2.gz RJCQDWIYSBPEGH-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CO[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)[C@H](C)C1 ZINC000904349974 621580497 /nfs/dbraw/zinc/58/04/97/621580497.db2.gz FNINSQQOHUEDOW-MGPQQGTHSA-N 2 0 256.434 2.639 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000904354582 621581893 /nfs/dbraw/zinc/58/18/93/621581893.db2.gz DMXMWNOWWGZBOE-NVXWUHKLSA-N 2 0 289.467 2.617 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000904359154 621582400 /nfs/dbraw/zinc/58/24/00/621582400.db2.gz ZNJUCXMRNZPLEI-JYJNAYRXSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361062 621583011 /nfs/dbraw/zinc/58/30/11/621583011.db2.gz UIDVTAZKOAMHHG-FZNQNYSPSA-N 2 0 276.424 2.938 20 0 CFADRP Cc1cccc2c1C[NH2+]CCN2Cc1ccc(C[NH3+])cc1 ZINC000904357843 621583665 /nfs/dbraw/zinc/58/36/65/621583665.db2.gz BUIRYSBSFCDHGV-UHFFFAOYSA-N 2 0 281.403 2.564 20 0 CFADRP C[C@]1(C[NH2+]CCc2ccc(Cl)s2)CCC[NH2+]C1 ZINC000904364146 621585260 /nfs/dbraw/zinc/58/52/60/621585260.db2.gz SDVDZUJTQQPPBB-ZDUSSCGKSA-N 2 0 272.845 2.923 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+]C2CC(C[NH3+])C2)cc1 ZINC000904365943 621585766 /nfs/dbraw/zinc/58/57/66/621585766.db2.gz CEXYEAKEDNSCIZ-UHFFFAOYSA-N 2 0 260.425 2.854 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000904366626 621585898 /nfs/dbraw/zinc/58/58/98/621585898.db2.gz NGJANHFXAUIHOV-MJBXVCDLSA-N 2 0 293.842 2.636 20 0 CFADRP CCCCC1CCC([NH2+]C2CCN(CC[NH3+])CC2)CC1 ZINC000904366872 621585909 /nfs/dbraw/zinc/58/59/09/621585909.db2.gz RXTDUWSMTGYTGS-UHFFFAOYSA-N 2 0 281.488 2.748 20 0 CFADRP C[C@@]1(C[NH+]2CCC([C@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904378478 621587702 /nfs/dbraw/zinc/58/77/02/621587702.db2.gz DHCRJFRBWHDROU-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000904384446 621588169 /nfs/dbraw/zinc/58/81/69/621588169.db2.gz KOGSPWNBSFRRFS-KGLIPLIRSA-N 2 0 269.477 2.508 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904386113 621588854 /nfs/dbraw/zinc/58/88/54/621588854.db2.gz PEJJEIYZGOPJOP-UHFFFAOYSA-N 2 0 260.303 2.980 20 0 CFADRP CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904405024 621590355 /nfs/dbraw/zinc/59/03/55/621590355.db2.gz HFHIUTQCVCTCMN-LLVKDONJSA-N 2 0 267.442 2.611 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410316 621591623 /nfs/dbraw/zinc/59/16/23/621591623.db2.gz DSJVXLOXIBYWES-DOMZBBRYSA-N 2 0 292.471 2.672 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@H]1C[NH3+] ZINC000904410005 621591757 /nfs/dbraw/zinc/59/17/57/621591757.db2.gz LKGTUNFKKVSHOQ-ZFWWWQNUSA-N 2 0 288.435 2.817 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410688 621592011 /nfs/dbraw/zinc/59/20/11/621592011.db2.gz FLQBNPLBEDUAIP-WQELODFKSA-N 2 0 274.408 2.625 20 0 CFADRP Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1-c1ccccc1 ZINC000904410539 621592043 /nfs/dbraw/zinc/59/20/43/621592043.db2.gz HGMTZDMVPRRCDW-GDBMZVCRSA-N 2 0 298.434 2.597 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412444 621593107 /nfs/dbraw/zinc/59/31/07/621593107.db2.gz SMQITYAXNDAWHJ-ZBFHGGJFSA-N 2 0 298.434 2.802 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)C[C@H]1[NH3+] ZINC000904415516 621593997 /nfs/dbraw/zinc/59/39/97/621593997.db2.gz PIYFFFWFRKNPPI-XLNGHYISSA-N 2 0 258.409 2.776 20 0 CFADRP Cc1csc(C[C@@H]2CCN(C[C@H]([NH3+])CC(C)C)C2)n1 ZINC000904433094 621595493 /nfs/dbraw/zinc/59/54/93/621595493.db2.gz KFRVBMHUAXIKIJ-UONOGXRCSA-N 2 0 281.469 2.689 20 0 CFADRP c1ccc(OCC2CC2)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420824 621596090 /nfs/dbraw/zinc/59/60/90/621596090.db2.gz HJRNJTCWKGOLHH-DOTOQJQBSA-N 2 0 286.419 2.517 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc2cccnc12 ZINC000904420484 621596175 /nfs/dbraw/zinc/59/61/75/621596175.db2.gz QCNHSHWMUCKBCD-DLBZAZTESA-N 2 0 281.403 2.585 20 0 CFADRP CC(C)C[C@](C)(C[NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904709119 621627399 /nfs/dbraw/zinc/62/73/99/621627399.db2.gz SFFANFKXUXUPRM-MRXNPFEDSA-N 2 0 299.378 2.647 20 0 CFADRP C[NH2+][C@@H](CO)c1cccc(-c2ccc(C[NH+](C)C)s2)c1 ZINC000904860258 621652018 /nfs/dbraw/zinc/65/20/18/621652018.db2.gz YUQYEQLPXQHKPN-HNNXBMFYSA-N 2 0 290.432 2.730 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000905134380 621707564 /nfs/dbraw/zinc/70/75/64/621707564.db2.gz UMICZQPODFOVAW-GDBMZVCRSA-N 2 0 278.440 2.594 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000905209636 621723760 /nfs/dbraw/zinc/72/37/60/621723760.db2.gz RCQIBUANYBWMAU-AEFFLSMTSA-N 2 0 290.451 2.883 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000905405572 621759807 /nfs/dbraw/zinc/75/98/07/621759807.db2.gz UPSVRQXWWRJJOO-ADKAHSJRSA-N 2 0 290.451 2.881 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000905599726 621799058 /nfs/dbraw/zinc/79/90/58/621799058.db2.gz ARCNKKVHOUUAAQ-UHFFFAOYSA-N 2 0 280.456 2.678 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1OCCC(C)C ZINC000906508342 621995334 /nfs/dbraw/zinc/99/53/34/621995334.db2.gz NOBSSVNQZRWHJW-SHTZXODSSA-N 2 0 292.423 2.699 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000841085756 622245740 /nfs/dbraw/zinc/24/57/40/622245740.db2.gz ABSZIDXKLVQOKR-KGLIPLIRSA-N 2 0 250.411 2.562 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)CO1 ZINC000924841806 622535765 /nfs/dbraw/zinc/53/57/65/622535765.db2.gz DWIRUOYXRMXUQM-KTAKPFMOSA-N 2 0 278.440 2.551 20 0 CFADRP c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000820805967 622760483 /nfs/dbraw/zinc/76/04/83/622760483.db2.gz VWPDHZFWWCRYOG-ZNXRZULTSA-N 2 0 270.420 2.977 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820805816 622760834 /nfs/dbraw/zinc/76/08/34/622760834.db2.gz SFGDVZUENOCYLB-XJKSGUPXSA-N 2 0 262.397 2.578 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820805815 622761087 /nfs/dbraw/zinc/76/10/87/622761087.db2.gz SFGDVZUENOCYLB-CZUORRHYSA-N 2 0 262.397 2.578 20 0 CFADRP C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812941 622764515 /nfs/dbraw/zinc/76/45/15/622764515.db2.gz VUPLRGZXUFSALI-KBPBESRZSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(C[NH+](C)C)c1 ZINC000820824409 622767919 /nfs/dbraw/zinc/76/79/19/622767919.db2.gz SHHZPRYAECOQPW-DYVFJYSZSA-N 2 0 298.434 2.679 20 0 CFADRP Cc1cc([C@@](C)(O)C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000164171613 622940987 /nfs/dbraw/zinc/94/09/87/622940987.db2.gz PCHDDBGUVXDCPM-KRWDZBQOSA-N 2 0 294.439 2.566 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@@H]1[NH3+] ZINC000165083712 622980189 /nfs/dbraw/zinc/98/01/89/622980189.db2.gz LKHUMKFYNQVALC-DYVFJYSZSA-N 2 0 269.392 2.794 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000224296746 623000782 /nfs/dbraw/zinc/00/07/82/623000782.db2.gz XVUNMZLKSPJXAK-FPMFFAJLSA-N 2 0 256.459 2.590 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000057994550 623025392 /nfs/dbraw/zinc/02/53/92/623025392.db2.gz AFTBQBMNRNPRAG-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cs1 ZINC000226312183 623066627 /nfs/dbraw/zinc/06/66/27/623066627.db2.gz ZNDPXNIIGHDEGH-CABCVRRESA-N 2 0 273.405 2.728 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000227539075 623111727 /nfs/dbraw/zinc/11/17/27/623111727.db2.gz CPJVSGXFNUWYIL-XYPHTWIQSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000227539067 623112056 /nfs/dbraw/zinc/11/20/56/623112056.db2.gz CPJVSGXFNUWYIL-KBRIMQKVSA-N 2 0 273.424 2.595 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000087575136 623187040 /nfs/dbraw/zinc/18/70/40/623187040.db2.gz QIRWNQNUPHCSJM-SCZZXKLOSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CSCCS2)c2ccccc21 ZINC000229587250 623213434 /nfs/dbraw/zinc/21/34/34/623213434.db2.gz KPWUOYDKVBMQSB-HONMWMINSA-N 2 0 280.462 2.569 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000229939798 623236208 /nfs/dbraw/zinc/23/62/08/623236208.db2.gz QSRAGDBPWVHHBX-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062078695 623247372 /nfs/dbraw/zinc/24/73/72/623247372.db2.gz ZBPHGEQAFYXYIS-HZPDHXFCSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(CC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC000823167456 623250333 /nfs/dbraw/zinc/25/03/33/623250333.db2.gz GXPHJVAQYNTIDH-NEPJUHHUSA-N 2 0 277.239 2.598 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230286804 623271288 /nfs/dbraw/zinc/27/12/88/623271288.db2.gz SHRJHKZNRLCXTG-IAGOWNOFSA-N 2 0 282.387 2.972 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000062839022 623299621 /nfs/dbraw/zinc/29/96/21/623299621.db2.gz HDRPYAGGVCMWNQ-UHFFFAOYSA-N 2 0 281.469 2.872 20 0 CFADRP CN(Cc1cccc(F)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062861861 623300359 /nfs/dbraw/zinc/30/03/59/623300359.db2.gz AQGBLQVBSGFLCB-HNNXBMFYSA-N 2 0 250.361 2.647 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000173363650 623345043 /nfs/dbraw/zinc/34/50/43/623345043.db2.gz AMMIVQDHBSGXNO-CRAIPNDOSA-N 2 0 298.434 2.692 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cc(F)ncc2F)CC1 ZINC000824023151 623435183 /nfs/dbraw/zinc/43/51/83/623435183.db2.gz JOKLCTHUEPZCFE-UHFFFAOYSA-N 2 0 283.366 2.570 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144592 623571575 /nfs/dbraw/zinc/57/15/75/623571575.db2.gz MXMAFYRLKYNLHR-GDBMZVCRSA-N 2 0 262.397 2.692 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000089146137 623573982 /nfs/dbraw/zinc/57/39/82/623573982.db2.gz KSUHFYMBZNSEJL-SWLSCSKDSA-N 2 0 268.351 2.614 20 0 CFADRP C[N@H+](CCc1ccc(F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000152080651 623640065 /nfs/dbraw/zinc/64/00/65/623640065.db2.gz CDQXJMBRULUQMR-UHFFFAOYSA-N 2 0 282.378 2.781 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccnc(Cl)c1 ZINC000152444586 623708456 /nfs/dbraw/zinc/70/84/56/623708456.db2.gz UXXMPTJVZORKAZ-RYUDHWBXSA-N 2 0 279.815 2.870 20 0 CFADRP CC(C)c1ccccc1C[NH+]1CCN(c2nccn2C)CC1 ZINC000827885260 624121565 /nfs/dbraw/zinc/12/15/65/624121565.db2.gz VIEFXEPKPWDYTD-UHFFFAOYSA-N 2 0 298.434 2.866 20 0 CFADRP CSCC[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000154788437 624463613 /nfs/dbraw/zinc/46/36/13/624463613.db2.gz GJVVIWLXYOBMRR-UHFFFAOYSA-N 2 0 293.480 2.674 20 0 CFADRP CCC(CC)[C@@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925474999 624652400 /nfs/dbraw/zinc/65/24/00/624652400.db2.gz BBVWLFUBGYCNBC-IRXDYDNUSA-N 2 0 278.440 2.853 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)CC[N@@H+]1C ZINC000834882754 625908462 /nfs/dbraw/zinc/90/84/62/625908462.db2.gz ASVQFPPASOSARL-VWYCJHECSA-N 2 0 265.228 2.643 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](SC)C2)C1 ZINC000921546918 625984427 /nfs/dbraw/zinc/98/44/27/625984427.db2.gz JEJIPLDERUGCDC-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000921527427 625978244 /nfs/dbraw/zinc/97/82/44/625978244.db2.gz NBIGSVDKQIWCLO-ZFWWWQNUSA-N 2 0 286.419 2.584 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000921527971 625978557 /nfs/dbraw/zinc/97/85/57/625978557.db2.gz QXCZXVXBPOGZFL-CQSZACIVSA-N 2 0 274.408 2.578 20 0 CFADRP Clc1n[nH]c(C2CC2)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000921529393 625978599 /nfs/dbraw/zinc/97/85/99/625978599.db2.gz YTSPEIIOZYVZOX-JTQLQIEISA-N 2 0 294.830 2.514 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)cc2C)C1 ZINC000921622651 625999766 /nfs/dbraw/zinc/99/97/66/625999766.db2.gz AVQPDPSXFDSSCW-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[NH+](CCC)CCCNCc1c2c(nn1C)CCC2 ZINC000921670910 626056190 /nfs/dbraw/zinc/05/61/90/626056190.db2.gz SAPRGTLLNKBZSC-UHFFFAOYSA-N 2 0 292.471 2.511 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]21 ZINC000230047982 626099666 /nfs/dbraw/zinc/09/96/66/626099666.db2.gz FMKFRNLUQALWGA-OSAQELSMSA-N 2 0 264.800 2.899 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921784740 626122227 /nfs/dbraw/zinc/12/22/27/626122227.db2.gz TXJVDMRMKHDQHH-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCSC1 ZINC000252180682 626162599 /nfs/dbraw/zinc/16/25/99/626162599.db2.gz PZPUSAPPDXYPLQ-KBPBESRZSA-N 2 0 256.459 2.736 20 0 CFADRP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000922025868 626198059 /nfs/dbraw/zinc/19/80/59/626198059.db2.gz PVYURYKSIQCBGG-LBPRGKRZSA-N 2 0 290.798 2.592 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCc3nccn3C2)C1 ZINC000922026680 626198145 /nfs/dbraw/zinc/19/81/45/626198145.db2.gz WNWYYCVHRWUZKD-MGPQQGTHSA-N 2 0 279.453 2.709 20 0 CFADRP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000922025867 626198247 /nfs/dbraw/zinc/19/82/47/626198247.db2.gz PVYURYKSIQCBGG-GFCCVEGCSA-N 2 0 290.798 2.592 20 0 CFADRP c1nn(C2CCC2)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000922069320 626203519 /nfs/dbraw/zinc/20/35/19/626203519.db2.gz NQLTYZNLYSCWKN-UHFFFAOYSA-N 2 0 288.439 2.572 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000922136998 626215525 /nfs/dbraw/zinc/21/55/25/626215525.db2.gz IGDFRJSPLAKOQO-IHRRRGAJSA-N 2 0 258.475 2.979 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000922140046 626216142 /nfs/dbraw/zinc/21/61/42/626216142.db2.gz GURGZDMYANVOFW-MWDXBVQZSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000922192145 626236668 /nfs/dbraw/zinc/23/66/68/626236668.db2.gz JITVWXKPPHAISM-UHFFFAOYSA-N 2 0 290.455 2.646 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCCS1)C1CC[NH+](C)CC1 ZINC000158020583 626257373 /nfs/dbraw/zinc/25/73/73/626257373.db2.gz IZCONSSGEYGHDC-OCCSQVGLSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[C@H](C)C[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922393418 626283220 /nfs/dbraw/zinc/28/32/20/626283220.db2.gz KPPZXAOKVBXRSH-TZNCUMHOSA-N 2 0 296.499 2.882 20 0 CFADRP c1cc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000922430216 626287884 /nfs/dbraw/zinc/28/78/84/626287884.db2.gz CLUAXBNAFRYTMS-ZQIUZPCESA-N 2 0 282.391 2.793 20 0 CFADRP FC(F)OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000851726944 634492671 /nfs/dbraw/zinc/49/26/71/634492671.db2.gz XQEYOSBMKIAEEA-UHFFFAOYSA-N 2 0 290.398 2.814 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]CC1(C)CCC1)c1cccnc1 ZINC000922633220 626328335 /nfs/dbraw/zinc/32/83/35/626328335.db2.gz OISNRVWMHMFZQL-HNNXBMFYSA-N 2 0 261.413 2.854 20 0 CFADRP c1cc(C[NH2+]CCC2CC=CC2)n(-c2cc[nH+]cc2)n1 ZINC000922735613 626353186 /nfs/dbraw/zinc/35/31/86/626353186.db2.gz RRQPUYIRRHIBTA-UHFFFAOYSA-N 2 0 268.364 2.713 20 0 CFADRP COc1cncc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922845554 626379375 /nfs/dbraw/zinc/37/93/75/626379375.db2.gz DMNYOLIUTRQYOZ-UHFFFAOYSA-N 2 0 289.423 2.587 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922846385 626379596 /nfs/dbraw/zinc/37/95/96/626379596.db2.gz ZCYSIPJYUSGIEB-GMRIPVOYSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1(C)C ZINC000922968688 626436116 /nfs/dbraw/zinc/43/61/16/626436116.db2.gz WEIYWRGHSXJFMP-GJZGRUSLSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+](Cc1cccc2ccccc21)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923300118 626463235 /nfs/dbraw/zinc/46/32/35/626463235.db2.gz ARKJKBGRVOERCP-KRWDZBQOSA-N 2 0 296.414 2.650 20 0 CFADRP Fc1cccc(C[C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923307670 626464509 /nfs/dbraw/zinc/46/45/09/626464509.db2.gz YWOHAWMPVYLNBH-QGZVFWFLSA-N 2 0 276.399 2.975 20 0 CFADRP CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313238 626464862 /nfs/dbraw/zinc/46/48/62/626464862.db2.gz QTQSHZNTAZGDMH-IAGOWNOFSA-N 2 0 288.435 2.694 20 0 CFADRP c1cc([C@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n[nH]1 ZINC000923306235 626464866 /nfs/dbraw/zinc/46/48/66/626464866.db2.gz IWYOUGSSMRWCEI-PNRVRQOCSA-N 2 0 288.439 2.510 20 0 CFADRP O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1)c1ccccc1 ZINC000923315750 626465082 /nfs/dbraw/zinc/46/50/82/626465082.db2.gz ZOYXEQJQYONMOE-QZTJIDSGSA-N 2 0 288.435 2.717 20 0 CFADRP C(C[NH2+]C1CC1)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000923321639 626466342 /nfs/dbraw/zinc/46/63/42/626466342.db2.gz GVQHSINAUQQCFT-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP C(C[NH2+]C1CC1)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000923322846 626466409 /nfs/dbraw/zinc/46/64/09/626466409.db2.gz AQQGRANZLWQCLV-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP CCCCCC[C@@H](O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000923326083 626466793 /nfs/dbraw/zinc/46/67/93/626466793.db2.gz FBPOHNFMVPULSD-MRXNPFEDSA-N 2 0 270.461 2.782 20 0 CFADRP CCCCCC[C@@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923357729 626468432 /nfs/dbraw/zinc/46/84/32/626468432.db2.gz QOYGFYQVVVNTCB-DLBZAZTESA-N 2 0 282.472 2.639 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nc1 ZINC000923368689 626468803 /nfs/dbraw/zinc/46/88/03/626468803.db2.gz ANDFSHSCTIMQQM-IFFAKLHKSA-N 2 0 285.435 2.792 20 0 CFADRP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000923376603 626469225 /nfs/dbraw/zinc/46/92/25/626469225.db2.gz BPMUUUJNVFJXCA-AVOUXACISA-N 2 0 259.397 2.653 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923362934 626469279 /nfs/dbraw/zinc/46/92/79/626469279.db2.gz QVOAXJCSKJLBPS-JKSUJKDBSA-N 2 0 276.399 2.690 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379262 626469622 /nfs/dbraw/zinc/46/96/22/626469622.db2.gz NZNQWVTZSWYOJW-XHSDSOJGSA-N 2 0 280.456 2.559 20 0 CFADRP c1cncc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923383503 626469779 /nfs/dbraw/zinc/46/97/79/626469779.db2.gz IVXCZJADYCVJQP-ASDXVTRWSA-N 2 0 285.435 2.792 20 0 CFADRP O[C@@H](CC1CCCC1)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923386432 626470277 /nfs/dbraw/zinc/47/02/77/626470277.db2.gz GLHBVAXZAPOETP-ROUUACIJSA-N 2 0 294.483 2.639 20 0 CFADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](CCC[NH2+]C4CC4)C[C@H]32)cc1 ZINC000923399866 626470813 /nfs/dbraw/zinc/47/08/13/626470813.db2.gz IMWVHIFZLSMVAU-RYQLBKOJSA-N 2 0 270.420 2.864 20 0 CFADRP Cc1cccc([C@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)C(C)C)c1 ZINC000923404297 626471030 /nfs/dbraw/zinc/47/10/30/626471030.db2.gz YQIIIPVHJDVDBT-IAGOWNOFSA-N 2 0 288.435 2.660 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2CSC[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923413789 626471311 /nfs/dbraw/zinc/47/13/11/626471311.db2.gz IBUITANKZPMKJJ-ZOSGLXAKSA-N 2 0 280.481 2.592 20 0 CFADRP CC(C)(C)c1cc2n(n1)CC[N@H+](CCCCCCC[NH3+])C2 ZINC000923443250 626473630 /nfs/dbraw/zinc/47/36/30/626473630.db2.gz VQCNSIJREVDEOT-UHFFFAOYSA-N 2 0 292.471 2.905 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000923481231 626475832 /nfs/dbraw/zinc/47/58/32/626475832.db2.gz HGNSXSQFOFWVJO-LLVKDONJSA-N 2 0 270.779 2.692 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480059 626476056 /nfs/dbraw/zinc/47/60/56/626476056.db2.gz UUGCIKUIYLSRND-CQSZACIVSA-N 2 0 275.440 2.938 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000923481233 626476064 /nfs/dbraw/zinc/47/60/64/626476064.db2.gz HGNSXSQFOFWVJO-NSHDSACASA-N 2 0 270.779 2.692 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cc2)n1 ZINC000923482248 626476198 /nfs/dbraw/zinc/47/61/98/626476198.db2.gz CUWWQRWWKRPHEU-QGZVFWFLSA-N 2 0 298.434 2.660 20 0 CFADRP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@H](CC[NH3+])C3)o2)cc1 ZINC000923482063 626476269 /nfs/dbraw/zinc/47/62/69/626476269.db2.gz CFBXHHVDPXLTPC-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923482315 626476276 /nfs/dbraw/zinc/47/62/76/626476276.db2.gz DGUOXZOOCGETKH-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923485797 626476334 /nfs/dbraw/zinc/47/63/34/626476334.db2.gz MBKHBHRVWPDHLN-QWRGUYRKSA-N 2 0 292.408 2.530 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496117 626476487 /nfs/dbraw/zinc/47/64/87/626476487.db2.gz GRXPPQSABFZZNE-NTZNESFSSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@H]1C[NH3+] ZINC000923491482 626476661 /nfs/dbraw/zinc/47/66/61/626476661.db2.gz SMPFHIRZMCDNSY-PBHICJAKSA-N 2 0 296.418 2.560 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@H]1C[NH3+] ZINC000923494395 626476900 /nfs/dbraw/zinc/47/69/00/626476900.db2.gz MNTJBPQEKKSCHT-OLZOCXBDSA-N 2 0 282.378 2.814 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1C[NH3+] ZINC000923495108 626476919 /nfs/dbraw/zinc/47/69/19/626476919.db2.gz TUQWGPDLWYYRKV-CXAGYDPISA-N 2 0 258.409 2.592 20 0 CFADRP C[C@@H]1C[N@H+](CCCOCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499018 626477056 /nfs/dbraw/zinc/47/70/56/626477056.db2.gz QAPUXBDZQROIKE-NVXWUHKLSA-N 2 0 276.424 2.510 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC000923504689 626477616 /nfs/dbraw/zinc/47/76/16/626477616.db2.gz SYOAOYJSJWMRFF-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923506128 626477696 /nfs/dbraw/zinc/47/76/96/626477696.db2.gz HPWBIYSZXXUXMS-OAHLLOKOSA-N 2 0 291.439 2.893 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)[C@@H]1CCCO1 ZINC000923506473 626477785 /nfs/dbraw/zinc/47/77/85/626477785.db2.gz JAGLDHSFWBZLLG-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP C([C@H]1CCCCO1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505707 626477798 /nfs/dbraw/zinc/47/77/98/626477798.db2.gz DCRFLHRCYFBPOL-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519866 626478360 /nfs/dbraw/zinc/47/83/60/626478360.db2.gz UQGJZMQKVWMDHX-JKSUJKDBSA-N 2 0 274.408 2.515 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000923531052 626478829 /nfs/dbraw/zinc/47/88/29/626478829.db2.gz NAPHSFNACJJVIW-CQSZACIVSA-N 2 0 252.427 2.755 20 0 CFADRP CO[C@H](CN1CC[C@@]2(C1)CCCC[NH2+]2)C1CCCCC1 ZINC000923533436 626478970 /nfs/dbraw/zinc/47/89/70/626478970.db2.gz LGGXIFOKSIIQCZ-IAGOWNOFSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]CCCCCCCN1C[C@H](CC[NH3+])c2ccccc21 ZINC000923554146 626479432 /nfs/dbraw/zinc/47/94/32/626479432.db2.gz FTDRYBLYYBOWHA-HNNXBMFYSA-N 2 0 275.440 2.848 20 0 CFADRP [NH3+]CCCCCCCN1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000923543562 626479443 /nfs/dbraw/zinc/47/94/43/626479443.db2.gz MKLNPTOAWBOMBL-MRXNPFEDSA-N 2 0 289.467 2.923 20 0 CFADRP [NH3+]CCCCCCCN1C[C@@H](CC[NH3+])c2ccccc21 ZINC000923554149 626479461 /nfs/dbraw/zinc/47/94/61/626479461.db2.gz FTDRYBLYYBOWHA-OAHLLOKOSA-N 2 0 275.440 2.848 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCc2ccns2)CC1 ZINC000930146627 626481245 /nfs/dbraw/zinc/48/12/45/626481245.db2.gz VSXSPPHTBZQIBV-UHFFFAOYSA-N 2 0 281.469 2.739 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)CC1(C)C ZINC000886305478 626538913 /nfs/dbraw/zinc/53/89/13/626538913.db2.gz IAEFUBWDEVGFGY-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000757673563 626557580 /nfs/dbraw/zinc/55/75/80/626557580.db2.gz HVOIGGXLPWFKKY-ZDUSSCGKSA-N 2 0 299.846 2.744 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOC(F)F)C1 ZINC000851773149 634519551 /nfs/dbraw/zinc/51/95/51/634519551.db2.gz JQNYCIIMAMHYLZ-ZIAGYGMSSA-N 2 0 290.398 2.812 20 0 CFADRP Cn1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000763484838 626991306 /nfs/dbraw/zinc/99/13/06/626991306.db2.gz IXXCKJSPJCFEHB-UHFFFAOYSA-N 2 0 275.440 2.912 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)C1CC[NH+](C)CC1 ZINC000765127820 627120499 /nfs/dbraw/zinc/12/04/99/627120499.db2.gz UNKCGZXISIWIBA-LLVKDONJSA-N 2 0 267.804 2.555 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765252993 627126393 /nfs/dbraw/zinc/12/63/93/627126393.db2.gz KOWVCFBMENBGRU-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000766534149 627208288 /nfs/dbraw/zinc/20/82/88/627208288.db2.gz HEUANKMZGIKLOX-WMZOPIPTSA-N 2 0 290.451 2.929 20 0 CFADRP FCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766994416 627230481 /nfs/dbraw/zinc/23/04/81/627230481.db2.gz XVWUQJRQHIUAOK-DLBZAZTESA-N 2 0 276.399 2.942 20 0 CFADRP CCN1CCC([N@H+](C)Cc2ccc3c(c2)COC3)CC1 ZINC000768233727 627326779 /nfs/dbraw/zinc/32/67/79/627326779.db2.gz QMYRJQCRHZVNIJ-UHFFFAOYSA-N 2 0 274.408 2.633 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(C(F)F)C1 ZINC000768688502 627364333 /nfs/dbraw/zinc/36/43/33/627364333.db2.gz SWSFKRJLXNKJOM-UHFFFAOYSA-N 2 0 298.377 2.760 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1cccc(F)c1 ZINC000773047244 627774092 /nfs/dbraw/zinc/77/40/92/627774092.db2.gz NYXDOPVVIWWGBB-AHIWAGSCSA-N 2 0 294.414 2.568 20 0 CFADRP Clc1ncccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775023911 627985751 /nfs/dbraw/zinc/98/57/51/627985751.db2.gz NOCBWADDUCPFAQ-UHFFFAOYSA-N 2 0 279.815 2.699 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775361380 628015683 /nfs/dbraw/zinc/01/56/83/628015683.db2.gz KCRAVGHMZAABLB-RDBSUJKOSA-N 2 0 288.526 2.688 20 0 CFADRP C(COC1CCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000777117544 628201208 /nfs/dbraw/zinc/20/12/08/628201208.db2.gz MDNVWOHUCCQDJL-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](CCO)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000779419606 628380340 /nfs/dbraw/zinc/38/03/40/628380340.db2.gz WKCDVFHTZNQDCO-JFIYKMOQSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000783243822 628692484 /nfs/dbraw/zinc/69/24/84/628692484.db2.gz DUQUQLLQBYENHP-CJNGLKHVSA-N 2 0 259.397 2.686 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@H](c2ccccc2)O1 ZINC000788479627 629073041 /nfs/dbraw/zinc/07/30/41/629073041.db2.gz XRZZQOWXKAJOIX-MAUKXSAKSA-N 2 0 288.435 2.790 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]CC2CC[NH+](C)CC2)sc1C ZINC000788484635 629074078 /nfs/dbraw/zinc/07/40/78/629074078.db2.gz CLVRNAFIXKRHLO-UHFFFAOYSA-N 2 0 281.469 2.926 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788573404 629082969 /nfs/dbraw/zinc/08/29/69/629082969.db2.gz PVISMEXVWMSYLX-GFCCVEGCSA-N 2 0 267.804 2.654 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000793526379 629562208 /nfs/dbraw/zinc/56/22/08/629562208.db2.gz RGGYPPZFNBLNMK-GOEBONIOSA-N 2 0 292.471 2.891 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000798956635 630263880 /nfs/dbraw/zinc/26/38/80/630263880.db2.gz HHUBHTIWYCLAPE-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP CC(C)CC[C@@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178092 630284142 /nfs/dbraw/zinc/28/41/42/630284142.db2.gz GCFFXTWEZRYODN-MRXNPFEDSA-N 2 0 282.472 2.591 20 0 CFADRP [NH3+]CCCCCCCN1C[C@@H]([NH3+])CCc2ccccc21 ZINC000852755153 634826018 /nfs/dbraw/zinc/82/60/18/634826018.db2.gz FCRFEJZTNVVLMG-INIZCTEOSA-N 2 0 275.440 2.676 20 0 CFADRP C[NH+]1CCCC[C@H]1CCC(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000803858773 630649143 /nfs/dbraw/zinc/64/91/43/630649143.db2.gz TZPCKAMHUFPTAG-HOTGVXAUSA-N 2 0 296.455 2.669 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806130534 630769723 /nfs/dbraw/zinc/76/97/23/630769723.db2.gz ADRAMZKODDTWOG-DGCLKSJQSA-N 2 0 279.815 2.654 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000843126233 630804757 /nfs/dbraw/zinc/80/47/57/630804757.db2.gz DVJYTWKUMDMTPQ-UHFFFAOYSA-N 2 0 280.803 2.596 20 0 CFADRP Cn1cnc(C[NH2+]CCCCCCC[NH+]2CCCC2)c1 ZINC000808386647 630985142 /nfs/dbraw/zinc/98/51/42/630985142.db2.gz HGQRBOPBQSQGCU-UHFFFAOYSA-N 2 0 278.444 2.556 20 0 CFADRP Cc1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)nn1C ZINC000840891338 631253696 /nfs/dbraw/zinc/25/36/96/631253696.db2.gz XDQQEINYVHUELH-UHFFFAOYSA-N 2 0 292.471 2.864 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2scnc2C2CC2)cc1 ZINC000841032433 631312510 /nfs/dbraw/zinc/31/25/10/631312510.db2.gz BYJZXWKXVIEADD-UHFFFAOYSA-N 2 0 287.432 2.812 20 0 CFADRP COc1c(C)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1C ZINC000841073396 631330725 /nfs/dbraw/zinc/33/07/25/631330725.db2.gz SMSDXFHPJYYQGW-INIZCTEOSA-N 2 0 276.424 2.934 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841081155 631333365 /nfs/dbraw/zinc/33/33/65/631333365.db2.gz XCPGHOALVFYRLT-CQSZACIVSA-N 2 0 280.799 2.580 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1C ZINC000841084944 631334500 /nfs/dbraw/zinc/33/45/00/631334500.db2.gz QSRYJDXHNBAVGS-HIFRSBDPSA-N 2 0 262.397 2.529 20 0 CFADRP Cc1cn[nH]c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000810147824 631334757 /nfs/dbraw/zinc/33/47/57/631334757.db2.gz KYBFXCAYEXFRCL-UHFFFAOYSA-N 2 0 276.428 2.605 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000841086615 631335370 /nfs/dbraw/zinc/33/53/70/631335370.db2.gz JRZOTNFKYZTGNU-BFYDXBDKSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000841866946 631484764 /nfs/dbraw/zinc/48/47/64/631484764.db2.gz HYBIRJFVFSBPSM-PCKAHOCUSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000811478907 631568520 /nfs/dbraw/zinc/56/85/20/631568520.db2.gz RTCFXXBXXQORJH-UHFFFAOYSA-N 2 0 288.222 2.820 20 0 CFADRP C[C@@H](C(=O)OCC[C@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000840235393 631585918 /nfs/dbraw/zinc/58/59/18/631585918.db2.gz JYLMMEIPQGYMAP-XUWVNRHRSA-N 2 0 296.455 2.665 20 0 CFADRP C[C@@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000840236561 631605433 /nfs/dbraw/zinc/60/54/33/631605433.db2.gz WFDOMYQBKLXOOT-JKSUJKDBSA-N 2 0 296.455 2.669 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000842473484 631640614 /nfs/dbraw/zinc/64/06/14/631640614.db2.gz VRXDQGOGJBUEAT-UHFFFAOYSA-N 2 0 268.445 2.788 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000842668265 631698387 /nfs/dbraw/zinc/69/83/87/631698387.db2.gz GEHYMBVZJAOVIH-RHSMWYFYSA-N 2 0 276.424 2.794 20 0 CFADRP C[N@@H+]1C[C@@H](CNCc2ccoc2)[C@H](c2ccccc2)C1 ZINC000842764680 631733629 /nfs/dbraw/zinc/73/36/29/631733629.db2.gz INTZUKBKXOTPAS-SJORKVTESA-N 2 0 270.376 2.715 20 0 CFADRP C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC000843054938 631818626 /nfs/dbraw/zinc/81/86/26/631818626.db2.gz OHGCYEQSTLZRTO-OTBWCIGPSA-N 2 0 258.409 2.992 20 0 CFADRP C[N@H+](CCCc1ccc2c(c1)CCO2)C1CCC([NH3+])CC1 ZINC000843055282 631819116 /nfs/dbraw/zinc/81/91/16/631819116.db2.gz VUNLZEKTMDZZFG-UHFFFAOYSA-N 2 0 288.435 2.756 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)oc21 ZINC000843058489 631821603 /nfs/dbraw/zinc/82/16/03/631821603.db2.gz ULRDNAMQUPWION-DGCLKSJQSA-N 2 0 274.364 2.611 20 0 CFADRP Cc1ccc(N2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843058957 631821740 /nfs/dbraw/zinc/82/17/40/631821740.db2.gz AMFMWLBQVAWTAY-GOSISDBHSA-N 2 0 287.451 2.507 20 0 CFADRP CC(C)C1CCC([NH+]2CCN(C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000843061167 631822618 /nfs/dbraw/zinc/82/26/18/631822618.db2.gz AWKJYJGQFJYIKC-ADKAHSJRSA-N 2 0 293.499 2.571 20 0 CFADRP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843117744 631840547 /nfs/dbraw/zinc/84/05/47/631840547.db2.gz TZQJLKWQIIXMKN-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP c1nc(C2CC2)sc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120154 631841979 /nfs/dbraw/zinc/84/19/79/631841979.db2.gz DERQYOLYWYORIA-UHFFFAOYSA-N 2 0 277.437 2.596 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000843127597 631846582 /nfs/dbraw/zinc/84/65/82/631846582.db2.gz FCCFIFXYGBBKCN-RYUDHWBXSA-N 2 0 262.397 2.616 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000843128485 631847877 /nfs/dbraw/zinc/84/78/77/631847877.db2.gz WGFNEXKXPOAANS-UHFFFAOYSA-N 2 0 290.386 2.825 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843342851 631932137 /nfs/dbraw/zinc/93/21/37/631932137.db2.gz QMJWKYWSVVBYGO-MGPQQGTHSA-N 2 0 262.372 2.612 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843341977 631932222 /nfs/dbraw/zinc/93/22/22/631932222.db2.gz YVKFVSKQCJECOF-SOUVJXGZSA-N 2 0 292.398 2.572 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000843342438 631932537 /nfs/dbraw/zinc/93/25/37/631932537.db2.gz QQPGNRDKGXZYOB-OWCLPIDISA-N 2 0 268.445 2.690 20 0 CFADRP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843348868 631934104 /nfs/dbraw/zinc/93/41/04/631934104.db2.gz TZPQSVJVRKOARZ-CABCVRRESA-N 2 0 297.487 2.521 20 0 CFADRP Clc1ccc(OC[C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000843357188 631935317 /nfs/dbraw/zinc/93/53/17/631935317.db2.gz BKVHSKDJQATJIE-ZFWWWQNUSA-N 2 0 294.826 2.793 20 0 CFADRP C[N@H+](Cc1nc(C(F)(F)F)cs1)C1CCC([NH3+])CC1 ZINC000843355608 631935909 /nfs/dbraw/zinc/93/59/09/631935909.db2.gz XLVIAGKTDGZPCX-UHFFFAOYSA-N 2 0 293.358 2.864 20 0 CFADRP C[C@H](NCC1([NH3+])CCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000843368424 631938970 /nfs/dbraw/zinc/93/89/70/631938970.db2.gz QOHADNXZRVTVRJ-ZDUSSCGKSA-N 2 0 297.402 2.638 20 0 CFADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCF ZINC000843376381 631941483 /nfs/dbraw/zinc/94/14/83/631941483.db2.gz BZBLQJOZDJUGTK-JKSUJKDBSA-N 2 0 264.388 2.628 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843388357 631944011 /nfs/dbraw/zinc/94/40/11/631944011.db2.gz MSJXUGKVFMLHHZ-KGLIPLIRSA-N 2 0 264.438 2.612 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000813876970 631970992 /nfs/dbraw/zinc/97/09/92/631970992.db2.gz FVQOMIRHAHYKJH-ZIAGYGMSSA-N 2 0 264.413 2.934 20 0 CFADRP C[N@@H+]1CCN(CCCCCCC[NH3+])C2(CCCCC2)C1 ZINC000844221275 632136027 /nfs/dbraw/zinc/13/60/27/632136027.db2.gz LZQDSNPVTYBAQS-UHFFFAOYSA-N 2 0 281.488 2.846 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000844223721 632137213 /nfs/dbraw/zinc/13/72/13/632137213.db2.gz AJWLBRAXUQHCPV-KBPBESRZSA-N 2 0 277.412 2.620 20 0 CFADRP Cn1c2ccccc2nc1C[N@H+](C)CCCCCCC[NH3+] ZINC000844222035 632137721 /nfs/dbraw/zinc/13/77/21/632137721.db2.gz RBRSCUXZEIGDNB-UHFFFAOYSA-N 2 0 288.439 2.914 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000844904796 632331858 /nfs/dbraw/zinc/33/18/58/632331858.db2.gz QZDXOMJQUSCMAK-DZGCQCFKSA-N 2 0 280.387 2.579 20 0 CFADRP C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844925439 632334600 /nfs/dbraw/zinc/33/46/00/632334600.db2.gz UZCMLYOFFQOIRE-RVMXOQNASA-N 2 0 262.800 2.811 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000844919946 632336333 /nfs/dbraw/zinc/33/63/33/632336333.db2.gz JBIILHHJSQVNIO-GFCCVEGCSA-N 2 0 250.361 2.914 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[C@@]1(F)Cl ZINC000844922398 632336988 /nfs/dbraw/zinc/33/69/88/632336988.db2.gz DLIYAHBQUXZHJD-NDBYEHHHSA-N 2 0 262.800 2.941 20 0 CFADRP C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844925438 632338487 /nfs/dbraw/zinc/33/84/87/632338487.db2.gz UZCMLYOFFQOIRE-CYDGBPFRSA-N 2 0 262.800 2.811 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000844925675 632338815 /nfs/dbraw/zinc/33/88/15/632338815.db2.gz DWAVUVAUKRUZHA-ZDUSSCGKSA-N 2 0 274.408 2.662 20 0 CFADRP C1=CO[C@@H](C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000816644600 632501001 /nfs/dbraw/zinc/50/10/01/632501001.db2.gz QYVMWRKTQULHEN-OAHLLOKOSA-N 2 0 252.402 2.535 20 0 CFADRP Cc1cc(CNCCC[N@@H+](C)CC(C)C)c(C)o1 ZINC000845996048 632610067 /nfs/dbraw/zinc/61/00/67/632610067.db2.gz JSXWKPVZMLLFNE-UHFFFAOYSA-N 2 0 252.402 2.964 20 0 CFADRP CC[N@H+](CCCCCC[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000846217145 632663248 /nfs/dbraw/zinc/66/32/48/632663248.db2.gz AZRVEUKHFFDFAU-OAHLLOKOSA-N 2 0 292.423 2.667 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CCCCCC[NH3+])no1 ZINC000846218772 632663773 /nfs/dbraw/zinc/66/37/73/632663773.db2.gz UXFBGBGINUWYLG-AWEZNQCLSA-N 2 0 251.374 2.639 20 0 CFADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846218874 632664207 /nfs/dbraw/zinc/66/42/07/632664207.db2.gz XGGZFEVWFSFSKD-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000846219201 632665510 /nfs/dbraw/zinc/66/55/10/632665510.db2.gz KEJXEYWKRNFYIM-UONOGXRCSA-N 2 0 256.459 2.866 20 0 CFADRP CC1CCC([NH+]2CCN(CCCCCC[NH3+])CC2)CC1 ZINC000846219665 632666165 /nfs/dbraw/zinc/66/61/65/632666165.db2.gz DVFJDIDXOOAZIZ-UHFFFAOYSA-N 2 0 281.488 2.702 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000846220572 632666210 /nfs/dbraw/zinc/66/62/10/632666210.db2.gz LFYFFLSCPQLVRC-UHFFFAOYSA-N 2 0 292.471 2.894 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000846221282 632667382 /nfs/dbraw/zinc/66/73/82/632667382.db2.gz WEIDGFXPGWIRPP-INIZCTEOSA-N 2 0 268.445 2.787 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000846221040 632667632 /nfs/dbraw/zinc/66/76/32/632667632.db2.gz RBSYJOKOYDGSQC-UHFFFAOYSA-N 2 0 268.351 2.842 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000846223871 632668018 /nfs/dbraw/zinc/66/80/18/632668018.db2.gz POZPZKKCYAJIJC-INIZCTEOSA-N 2 0 262.397 2.659 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000817888682 632716942 /nfs/dbraw/zinc/71/69/42/632716942.db2.gz INPMBMGBWYUJDM-HOTGVXAUSA-N 2 0 289.467 2.935 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817890682 632717952 /nfs/dbraw/zinc/71/79/52/632717952.db2.gz XBRLDRXEJRRRDW-AYOQOUSVSA-N 2 0 298.430 2.577 20 0 CFADRP C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817897187 632721667 /nfs/dbraw/zinc/72/16/67/632721667.db2.gz GTGKSPCANBIUBG-QAPCUYQASA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817898817 632722648 /nfs/dbraw/zinc/72/26/48/632722648.db2.gz BGOJFPIJFADNLR-FCCDEINASA-N 3 0 293.499 2.761 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817899360 632722824 /nfs/dbraw/zinc/72/28/24/632722824.db2.gz NRTKVGYZGYCLGD-HUUCEWRRSA-N 2 0 280.387 2.844 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000817898992 632723514 /nfs/dbraw/zinc/72/35/14/632723514.db2.gz MVYNXCVDCNZBOS-CABCVRRESA-N 2 0 280.387 2.715 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817899178 632723522 /nfs/dbraw/zinc/72/35/22/632723522.db2.gz DTDRGEJIJCFBFZ-STQMWFEESA-N 2 0 262.397 2.790 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817899185 632723550 /nfs/dbraw/zinc/72/35/50/632723550.db2.gz DUGLAKPQFBSAPA-VXLLPVPCSA-N 3 0 279.472 2.514 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900251 632724128 /nfs/dbraw/zinc/72/41/28/632724128.db2.gz LQQORKIYFXFJBS-ZGRYLRDCSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904674 632726969 /nfs/dbraw/zinc/72/69/69/632726969.db2.gz GFZZEJDTQCCVFR-IPMKNSEASA-N 2 0 298.430 2.980 20 0 CFADRP C[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904679 632727076 /nfs/dbraw/zinc/72/70/76/632727076.db2.gz GMHWHEIPZRORRE-DXCHVLGVSA-N 2 0 276.424 2.606 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000817902596 632727309 /nfs/dbraw/zinc/72/73/09/632727309.db2.gz VAILUNRGBIOHEO-ZBFHGGJFSA-N 2 0 275.440 2.750 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000817904925 632727769 /nfs/dbraw/zinc/72/77/69/632727769.db2.gz HRQWXXPQDRDCPJ-SIXLDLHFSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000817905782 632728038 /nfs/dbraw/zinc/72/80/38/632728038.db2.gz NUQLYBQSWNBERN-YGOYTEALSA-N 2 0 291.222 2.742 20 0 CFADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000817904688 632728106 /nfs/dbraw/zinc/72/81/06/632728106.db2.gz GMZHXEBYTNPWRP-SWDXFRIISA-N 2 0 296.414 2.746 20 0 CFADRP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904953 632728260 /nfs/dbraw/zinc/72/82/60/632728260.db2.gz IKCUPOZSERCGGT-PSPNYPNSSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817906254 632728414 /nfs/dbraw/zinc/72/84/14/632728414.db2.gz ZCCNRVYGQJLHJR-ZFVVBOAOSA-N 2 0 294.414 2.887 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817908062 632729379 /nfs/dbraw/zinc/72/93/79/632729379.db2.gz NDZRKQKLORSQGO-KZNAEPCWSA-N 2 0 288.435 2.550 20 0 CFADRP C[C@@H]1CCNC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914152 632732243 /nfs/dbraw/zinc/73/22/43/632732243.db2.gz RUPGSDBRAYECTN-SJORKVTESA-N 2 0 281.488 2.620 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000817916860 632733520 /nfs/dbraw/zinc/73/35/20/632733520.db2.gz LQJHIHJFLHDFJN-QMTHXVAHSA-N 2 0 288.794 2.620 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000817917672 632733634 /nfs/dbraw/zinc/73/36/34/632733634.db2.gz BZXINXGPOAOATI-OAGGEKHMSA-N 2 0 296.455 2.573 20 0 CFADRP OC1(c2ccccc2)CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000817922707 632735746 /nfs/dbraw/zinc/73/57/46/632735746.db2.gz KNRNHHKFPAOAFF-AOCRQIFASA-N 2 0 288.435 2.549 20 0 CFADRP C[C@](O)(C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(Cl)c1 ZINC000817923277 632736560 /nfs/dbraw/zinc/73/65/60/632736560.db2.gz VPQWWXNMEZKWKJ-MOQPWLNLSA-N 2 0 296.842 2.655 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817923073 632736605 /nfs/dbraw/zinc/73/66/05/632736605.db2.gz QYJKXRRNVUHOEI-DAXOMENPSA-N 2 0 296.842 2.525 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000817925072 632736911 /nfs/dbraw/zinc/73/69/11/632736911.db2.gz QRWJXCBMDAOELF-ZDUSSCGKSA-N 2 0 264.413 2.521 20 0 CFADRP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)c1ccccc1 ZINC000817927241 632738918 /nfs/dbraw/zinc/73/89/18/632738918.db2.gz HXNBLVJBIRNPIX-MPBYHJMHSA-N 2 0 288.435 2.761 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](O)c1ccccc1 ZINC000817927397 632738939 /nfs/dbraw/zinc/73/89/39/632738939.db2.gz KHUJMJAPHSAAAG-PVAVHDDUSA-N 2 0 278.440 2.996 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000817929803 632739724 /nfs/dbraw/zinc/73/97/24/632739724.db2.gz KLZCBKHGJGKIGM-GVDBMIGSSA-N 2 0 276.424 2.586 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1(Cl)Cl ZINC000817935680 632742227 /nfs/dbraw/zinc/74/22/27/632742227.db2.gz CRMYOWUBHVLLQK-AXFHLTTASA-N 2 0 265.228 2.677 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817942461 632745142 /nfs/dbraw/zinc/74/51/42/632745142.db2.gz ZFLNQNKKKCAIDV-AWEZNQCLSA-N 2 0 284.407 2.523 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946512 632747992 /nfs/dbraw/zinc/74/79/92/632747992.db2.gz YMWQPKWRGRBTCH-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1(C)C ZINC000817948263 632749112 /nfs/dbraw/zinc/74/91/12/632749112.db2.gz HZDIYNIDGIENRU-DLBZAZTESA-N 2 0 290.451 2.870 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1-c1ccccc1 ZINC000817955121 632754417 /nfs/dbraw/zinc/75/44/17/632754417.db2.gz QQEYKKFVKJAGHO-ZBFHGGJFSA-N 2 0 298.434 2.831 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000817966518 632765097 /nfs/dbraw/zinc/76/50/97/632765097.db2.gz PJQAMKTYQYCJFV-IRXDYDNUSA-N 2 0 258.409 2.962 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000817970776 632769731 /nfs/dbraw/zinc/76/97/31/632769731.db2.gz DYPBLPDKWDBFDQ-WWGRRREGSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccnc1Cl ZINC000817976118 632774553 /nfs/dbraw/zinc/77/45/53/632774553.db2.gz GKSQIEULONHAJW-ZYHUDNBSSA-N 2 0 265.788 2.528 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000817977162 632775006 /nfs/dbraw/zinc/77/50/06/632775006.db2.gz CSZRZJXJZYVNNQ-YUMQZZPRSA-N 2 0 292.246 2.684 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817980969 632777648 /nfs/dbraw/zinc/77/76/48/632777648.db2.gz GBPJIFPMGLWNAD-MAZHCROVSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)nc1 ZINC000817982683 632779709 /nfs/dbraw/zinc/77/97/09/632779709.db2.gz VJWRUBJTINQQKN-JBLDHEPKSA-N 2 0 253.777 2.513 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000817984205 632781122 /nfs/dbraw/zinc/78/11/22/632781122.db2.gz OOICXWKOOJKQIA-KRWDZBQOSA-N 2 0 256.393 2.882 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856763816 635849538 /nfs/dbraw/zinc/84/95/38/635849538.db2.gz JMSRLGOMRPNCAK-LBPRGKRZSA-N 2 0 286.851 2.674 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc3ccccc32)CC1 ZINC000818940749 632911549 /nfs/dbraw/zinc/91/15/49/632911549.db2.gz DQEBDNPCMQBWLO-IBGZPJMESA-N 2 0 298.430 2.947 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000818959072 632915825 /nfs/dbraw/zinc/91/58/25/632915825.db2.gz BYLVQTWYZQHWFL-WMZOPIPTSA-N 2 0 290.451 2.964 20 0 CFADRP OC1(C[NH2+]CCCCCCC[NH+]2CCCC2)CCCC1 ZINC000818974426 632919230 /nfs/dbraw/zinc/91/92/30/632919230.db2.gz NLQPRKBWHXSXCG-UHFFFAOYSA-N 2 0 282.472 2.927 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000818980586 632920377 /nfs/dbraw/zinc/92/03/77/632920377.db2.gz MGIATNOZPBNUKG-WMZOPIPTSA-N 2 0 290.451 2.658 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000818984304 632921488 /nfs/dbraw/zinc/92/14/88/632921488.db2.gz DKLKCGOUWRDGGV-SJLPKXTDSA-N 2 0 290.451 2.738 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000818984489 632921913 /nfs/dbraw/zinc/92/19/13/632921913.db2.gz IRZKZMSNFLFLMH-SJLPKXTDSA-N 2 0 290.451 2.738 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000818984490 632922778 /nfs/dbraw/zinc/92/27/78/632922778.db2.gz IRZKZMSNFLFLMH-WMZOPIPTSA-N 2 0 290.451 2.738 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000818990750 632924275 /nfs/dbraw/zinc/92/42/75/632924275.db2.gz NLBFQBWQNLGFMF-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]CC1(O)CCCCC1)C(C)(C)C ZINC000819080416 632956831 /nfs/dbraw/zinc/95/68/31/632956831.db2.gz FWDPGEGOOGVGIP-CQSZACIVSA-N 2 0 270.461 2.638 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000819101725 632965481 /nfs/dbraw/zinc/96/54/81/632965481.db2.gz CPSDQBVZOVXNLH-NVXWUHKLSA-N 2 0 292.467 2.903 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819106893 632966648 /nfs/dbraw/zinc/96/66/48/632966648.db2.gz RKDAITHEXDINPR-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819135026 632980852 /nfs/dbraw/zinc/98/08/52/632980852.db2.gz SASZHDKDAHCDFN-ARFHVFGLSA-N 2 0 296.842 2.836 20 0 CFADRP OC1(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000819143285 632983650 /nfs/dbraw/zinc/98/36/50/632983650.db2.gz YXDAMHDJRIHABQ-UHFFFAOYSA-N 2 0 280.456 2.678 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000819259840 633043121 /nfs/dbraw/zinc/04/31/21/633043121.db2.gz MHKRJRATLCNBDA-QGZVFWFLSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)(C[NH2+]C[C@H](O)c1cccc(F)c1)C[NH+]1CCCC1 ZINC000819260854 633043188 /nfs/dbraw/zinc/04/31/88/633043188.db2.gz WBWVMIYVSDYHDH-INIZCTEOSA-N 2 0 294.414 2.571 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc(Cl)n1C ZINC000848526169 633276964 /nfs/dbraw/zinc/27/69/64/633276964.db2.gz TZRHPLVBBXGKKA-GFCCVEGCSA-N 2 0 286.851 2.674 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c21 ZINC000848722407 633325456 /nfs/dbraw/zinc/32/54/56/633325456.db2.gz MQRHXBGIPJHAOH-UONOGXRCSA-N 2 0 287.407 2.579 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000848923058 633404975 /nfs/dbraw/zinc/40/49/75/633404975.db2.gz DHUKZPOTBOTJRD-VDISTLRHSA-N 2 0 284.806 2.951 20 0 CFADRP CCCCNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982186 633415203 /nfs/dbraw/zinc/41/52/03/633415203.db2.gz KSKFBFHBAKMTRX-UHFFFAOYSA-N 2 0 268.449 2.555 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000848989506 633418912 /nfs/dbraw/zinc/41/89/12/633418912.db2.gz VOPJKNBWQFNMJP-ZIAGYGMSSA-N 2 0 268.449 2.553 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000849003195 633454906 /nfs/dbraw/zinc/45/49/06/633454906.db2.gz UTVRLSJRJMNISH-CABCVRRESA-N 2 0 290.455 2.809 20 0 CFADRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+](C)C)cc1 ZINC000849030345 633470630 /nfs/dbraw/zinc/47/06/30/633470630.db2.gz LFAQFGLFULDAHA-ZDUSSCGKSA-N 2 0 292.427 2.608 20 0 CFADRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)C[NH+](C)C ZINC000849030688 633470690 /nfs/dbraw/zinc/47/06/90/633470690.db2.gz SDOHYYBQOUBXAB-ZDUSSCGKSA-N 2 0 290.455 2.945 20 0 CFADRP C[N@H+](CCCCNC(=[NH2+])NC1CCCCCC1)C1CC1 ZINC000849039666 633476191 /nfs/dbraw/zinc/47/61/91/633476191.db2.gz MBLGCJNUCYUXAY-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP CCCCCCNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000849053425 633481789 /nfs/dbraw/zinc/48/17/89/633481789.db2.gz HUAYWYVEEGATAR-UHFFFAOYSA-N 2 0 282.476 2.947 20 0 CFADRP CC(C)CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849058937 633482232 /nfs/dbraw/zinc/48/22/32/633482232.db2.gz WKPDKXXEQFLXIW-INIZCTEOSA-N 2 0 296.503 2.903 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C(C)(C)C ZINC000849103453 633483935 /nfs/dbraw/zinc/48/39/35/633483935.db2.gz PSMBBLXRRWXHJQ-ZDUSSCGKSA-N 2 0 282.476 2.657 20 0 CFADRP c1[nH]nc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)ccc12 ZINC000849350706 633626208 /nfs/dbraw/zinc/62/62/08/633626208.db2.gz SFSYDLXUYGQXEW-MRXNPFEDSA-N 2 0 298.434 2.775 20 0 CFADRP C1=C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000850358171 633954126 /nfs/dbraw/zinc/95/41/26/633954126.db2.gz IXTVZYMZBBVGNI-QGZVFWFLSA-N 2 0 286.419 2.969 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000850383006 633968896 /nfs/dbraw/zinc/96/88/96/633968896.db2.gz GDXTVHSBTFKSDV-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000850383007 633969129 /nfs/dbraw/zinc/96/91/29/633969129.db2.gz GDXTVHSBTFKSDV-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP c1nn2ccccc2c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850420393 633985143 /nfs/dbraw/zinc/98/51/43/633985143.db2.gz NKMYYTYMBHTFHX-UHFFFAOYSA-N 2 0 298.434 2.546 20 0 CFADRP Clc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000850420010 633985204 /nfs/dbraw/zinc/98/52/04/633985204.db2.gz JWWHUYBOUNZDQO-UHFFFAOYSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000850441514 633994431 /nfs/dbraw/zinc/99/44/31/633994431.db2.gz ARXNJXWTOCHKCL-LBPRGKRZSA-N 2 0 276.465 2.930 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000850472464 634007169 /nfs/dbraw/zinc/00/71/69/634007169.db2.gz ZEWDXYPVIPBTEX-KBPBESRZSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850517049 634027684 /nfs/dbraw/zinc/02/76/84/634027684.db2.gz REYRTRJXCUPJAR-YOEHRIQHSA-N 2 0 273.424 2.682 20 0 CFADRP C([NH2+][C@H]1CC[C@H]1C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC000850581242 634060483 /nfs/dbraw/zinc/06/04/83/634060483.db2.gz DXBOZMFBFZMYJS-IRXDYDNUSA-N 2 0 262.441 2.887 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925487295 634146235 /nfs/dbraw/zinc/14/62/35/634146235.db2.gz BNTRPBSEVYTEHA-OWCLPIDISA-N 2 0 276.399 2.734 20 0 CFADRP CCc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)[nH]n1 ZINC000925487721 634842690 /nfs/dbraw/zinc/84/26/90/634842690.db2.gz DQQVQIFQQWJOMV-MRXNPFEDSA-N 2 0 272.396 2.542 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C1SCCS1 ZINC000853023515 634879361 /nfs/dbraw/zinc/87/93/61/634879361.db2.gz ZOFGYZRFHHZSCO-ZDUSSCGKSA-N 2 0 286.510 2.647 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCC1SCCS1)CC[NH2+]CC2 ZINC000853022866 634879572 /nfs/dbraw/zinc/87/95/72/634879572.db2.gz GLNDGXNRPHIFGO-GFCCVEGCSA-N 2 0 286.510 2.647 20 0 CFADRP Clc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000853093443 634901500 /nfs/dbraw/zinc/90/15/00/634901500.db2.gz KVUNTXCVVVNNMZ-HNNXBMFYSA-N 2 0 293.842 2.947 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000853241093 634949712 /nfs/dbraw/zinc/94/97/12/634949712.db2.gz UKGYNNPFFAKYDQ-IXDOHACOSA-N 2 0 292.467 2.656 20 0 CFADRP CCC[N@H+](CCc1cccs1)C1CC[NH2+]CC1 ZINC000111453411 635052032 /nfs/dbraw/zinc/05/20/32/635052032.db2.gz ZZHNOUSYWBHJGU-UHFFFAOYSA-N 2 0 252.427 2.755 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H](O)c2cccc3ccccc32)CC1 ZINC000854220964 635261156 /nfs/dbraw/zinc/26/11/56/635261156.db2.gz CZTQCDQLJDFTLQ-GSQSYGFSSA-N 2 0 298.430 2.980 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221145 635261331 /nfs/dbraw/zinc/26/13/31/635261331.db2.gz HFBYJYGDJXJAKH-AHIWAGSCSA-N 2 0 272.392 2.589 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC1SCCS1 ZINC000854230055 635266424 /nfs/dbraw/zinc/26/64/24/635266424.db2.gz FLKHUPZQBOEIOU-SNVBAGLBSA-N 2 0 297.493 2.696 20 0 CFADRP CCCCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000854232436 635267575 /nfs/dbraw/zinc/26/75/75/635267575.db2.gz PYPCOSSICLVYOZ-CYBMUJFWSA-N 2 0 294.443 2.726 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCCO2 ZINC000854233103 635268581 /nfs/dbraw/zinc/26/85/81/635268581.db2.gz XOZYIUVHPPQKKY-AJSFGMTHSA-N 2 0 286.419 2.945 20 0 CFADRP CC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584902 635834859 /nfs/dbraw/zinc/83/48/59/635834859.db2.gz UMORMISPHYNYLV-WMLDXEAASA-N 2 0 291.439 2.785 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857914642 636065662 /nfs/dbraw/zinc/06/56/62/636065662.db2.gz MTJGMENBJJOVJG-UHTWSYAYSA-N 2 0 279.815 2.652 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc[nH+]c(CO)c2)C1 ZINC000858352322 636204102 /nfs/dbraw/zinc/20/41/02/636204102.db2.gz YQTVUDOOBCUTDC-GJZGRUSLSA-N 2 0 291.439 2.744 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000858487567 636269003 /nfs/dbraw/zinc/26/90/03/636269003.db2.gz CAHBLZHZBSYSRT-MQVJKMGUSA-N 2 0 287.451 2.882 20 0 CFADRP OCc1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc[nH+]1 ZINC000858525820 636282494 /nfs/dbraw/zinc/28/24/94/636282494.db2.gz LQTCAMFYQXPNDQ-QGZVFWFLSA-N 2 0 289.423 2.783 20 0 CFADRP OCc1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc[nH+]1 ZINC000858525819 636282815 /nfs/dbraw/zinc/28/28/15/636282815.db2.gz LQTCAMFYQXPNDQ-KRWDZBQOSA-N 2 0 289.423 2.783 20 0 CFADRP C[C@H](c1cnccn1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211933 636505582 /nfs/dbraw/zinc/50/55/82/636505582.db2.gz CYYZUHXTMKYOFV-CQSZACIVSA-N 2 0 284.407 2.731 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194524914 636786586 /nfs/dbraw/zinc/78/65/86/636786586.db2.gz XGFPWIFDFOKBQL-HOTGVXAUSA-N 2 0 266.429 2.637 20 0 CFADRP c1cc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2[nH]1 ZINC000862214285 637288423 /nfs/dbraw/zinc/28/84/23/637288423.db2.gz MMCZUJGUDOLHTR-UHFFFAOYSA-N 2 0 292.386 2.885 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000862271400 637306605 /nfs/dbraw/zinc/30/66/05/637306605.db2.gz NKHCZOJKTXEMRR-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000862271398 637306775 /nfs/dbraw/zinc/30/67/75/637306775.db2.gz NKHCZOJKTXEMRR-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862282329 637311010 /nfs/dbraw/zinc/31/10/10/637311010.db2.gz JPLHVBNQNFWNEO-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP OC1(C[NH2+]C[C@H]2CCN2C2CCCCC2)CCCCC1 ZINC000863380707 637646129 /nfs/dbraw/zinc/64/61/29/637646129.db2.gz GWTDYDHRAXPYFZ-MRXNPFEDSA-N 2 0 280.456 2.678 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863549115 637692887 /nfs/dbraw/zinc/69/28/87/637692887.db2.gz ZYMOANOIPINPNF-ZFWWWQNUSA-N 2 0 282.815 2.671 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=Cc2ccccc2OC1 ZINC000863641560 637722830 /nfs/dbraw/zinc/72/28/30/637722830.db2.gz HEWFDSCIFAREMP-ALOPSCKCSA-N 2 0 284.403 2.807 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)c1 ZINC000863691570 637747903 /nfs/dbraw/zinc/74/79/03/637747903.db2.gz HAOJYWSVFWSVAW-OALUTQOASA-N 2 0 296.414 2.811 20 0 CFADRP CCC(CC)NC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000864453473 637986198 /nfs/dbraw/zinc/98/61/98/637986198.db2.gz WTAUBWDDIGBVHT-UHFFFAOYSA-N 2 0 276.428 2.551 20 0 CFADRP C[NH+](C)[C@@H](CNc1cc[nH+]cc1C(F)(F)F)c1ccco1 ZINC000865406396 638314932 /nfs/dbraw/zinc/31/49/32/638314932.db2.gz RWXTXRSZXLJQHZ-LBPRGKRZSA-N 2 0 299.296 2.830 20 0 CFADRP C[NH+](C)C[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865487798 638372241 /nfs/dbraw/zinc/37/22/41/638372241.db2.gz IVZNFMAMGDVAMQ-LLVKDONJSA-N 2 0 287.329 2.878 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCSC2)CC1(C)C ZINC000865651591 638487638 /nfs/dbraw/zinc/48/76/38/638487638.db2.gz XOXFZXMNQJVKIO-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CCn1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cn1 ZINC000865716853 638531545 /nfs/dbraw/zinc/53/15/45/638531545.db2.gz GAIDDUJVGUIRPH-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccn(C)c2)CC1 ZINC000865716899 638531773 /nfs/dbraw/zinc/53/17/73/638531773.db2.gz HMRGTGVHTIUTRH-UHFFFAOYSA-N 2 0 263.429 2.625 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000865765588 638561863 /nfs/dbraw/zinc/56/18/63/638561863.db2.gz BOSYADBCCKKLJC-UHFFFAOYSA-N 2 0 286.423 2.915 20 0 CFADRP C[C@H](O)c1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)s1 ZINC000865764842 638562282 /nfs/dbraw/zinc/56/22/82/638562282.db2.gz FFARVCQWBBONEQ-BZUNDVKYSA-N 2 0 297.468 2.549 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnn3ccccc23)CC1 ZINC000865766053 638562567 /nfs/dbraw/zinc/56/25/67/638562567.db2.gz ZDCAYQNGXLNGFW-UHFFFAOYSA-N 2 0 286.423 2.687 20 0 CFADRP C[NH+](C)C1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865884021 638642914 /nfs/dbraw/zinc/64/29/14/638642914.db2.gz PTCHFWSFUVTSSM-UHFFFAOYSA-N 2 0 287.329 2.807 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866239880 638777658 /nfs/dbraw/zinc/77/76/58/638777658.db2.gz VWPDKBUCYHQDJY-OAHLLOKOSA-N 2 0 287.451 2.867 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccn1 ZINC000866261796 638783242 /nfs/dbraw/zinc/78/32/42/638783242.db2.gz WRHXQRTURGTOTE-MRXNPFEDSA-N 2 0 261.413 2.710 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1F)C1CC1 ZINC000866369922 638806882 /nfs/dbraw/zinc/80/68/82/638806882.db2.gz PDWSQESCGBQMCB-DOTOQJQBSA-N 2 0 292.398 2.922 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1c2ccccc2OC[C@H]1F)C1CC1 ZINC000866369923 638807114 /nfs/dbraw/zinc/80/71/14/638807114.db2.gz PDWSQESCGBQMCB-NVXWUHKLSA-N 2 0 292.398 2.922 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CCCCO)CC1 ZINC000866467589 638826029 /nfs/dbraw/zinc/82/60/29/638826029.db2.gz LMBAYISYIWDIMX-HNNXBMFYSA-N 2 0 270.461 2.638 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)n(C)n1 ZINC000866468088 638826305 /nfs/dbraw/zinc/82/63/05/638826305.db2.gz AHZZGKJCQGKVDW-HNNXBMFYSA-N 2 0 292.471 2.890 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000866470512 638826531 /nfs/dbraw/zinc/82/65/31/638826531.db2.gz XWWHUWNMTCLMCR-UHFFFAOYSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2)[C@H]2CCC[C@@H]21 ZINC000866479924 638828087 /nfs/dbraw/zinc/82/80/87/638828087.db2.gz AWGCOVHFGJTPNN-XGUBFFRZSA-N 2 0 268.470 2.735 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000866516581 638834425 /nfs/dbraw/zinc/83/44/25/638834425.db2.gz CVAQHTGLBKEJJC-FQBRJNOBSA-N 3 0 293.499 2.712 20 0 CFADRP CCOC(=O)C1(C)CC([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000866516514 638834562 /nfs/dbraw/zinc/83/45/62/638834562.db2.gz BADWVFZLYALYDZ-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H]([NH2+]CCSCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000866542943 638839839 /nfs/dbraw/zinc/83/98/39/638839839.db2.gz JFAYFLMLHFBWRD-LLVKDONJSA-N 2 0 298.418 2.992 20 0 CFADRP C[C@H](c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585649 638849187 /nfs/dbraw/zinc/84/91/87/638849187.db2.gz ZPJFOYRCPXHHSJ-IVMMDQJWSA-N 2 0 262.372 2.913 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC000866623546 638856998 /nfs/dbraw/zinc/85/69/98/638856998.db2.gz VSBZDOCPCSUJEF-MRXNPFEDSA-N 2 0 280.456 2.941 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc2c1CCOC2 ZINC000866661876 638862266 /nfs/dbraw/zinc/86/22/66/638862266.db2.gz VLGQZXPWEXYCJU-ALOPSCKCSA-N 2 0 286.419 2.604 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)OC1 ZINC000866666727 638863364 /nfs/dbraw/zinc/86/33/64/638863364.db2.gz VYTVITZVDFRGRD-OWCLPIDISA-N 2 0 280.456 2.513 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1Cl ZINC000866665883 638863398 /nfs/dbraw/zinc/86/33/98/638863398.db2.gz JUSKULGRFJVTJG-UONOGXRCSA-N 2 0 293.842 2.865 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@@H](C)CC(C)(C)C)CC1 ZINC000866667741 638863638 /nfs/dbraw/zinc/86/36/38/638863638.db2.gz XJSJIAJXEGDTBD-AWEZNQCLSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000866700901 638867171 /nfs/dbraw/zinc/86/71/71/638867171.db2.gz BSCYEXJVZUDWSZ-BBWFWOEESA-N 2 0 286.419 2.636 20 0 CFADRP Cc1ncccc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705767 638868382 /nfs/dbraw/zinc/86/83/82/638868382.db2.gz AQULHWYZVKWDHO-MRXNPFEDSA-N 2 0 261.413 2.587 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCc2ccncc2)C1 ZINC000866707460 638869147 /nfs/dbraw/zinc/86/91/47/638869147.db2.gz OSUDUZKVVAQCKR-KRWDZBQOSA-N 2 0 275.440 2.711 20 0 CFADRP Cc1cncc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000866719942 638870027 /nfs/dbraw/zinc/87/00/27/638870027.db2.gz FBOFBSJQTXVQEM-GOEBONIOSA-N 2 0 259.397 2.527 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000123664565 641343608 /nfs/dbraw/zinc/34/36/08/641343608.db2.gz YGADINMXTQMRNK-MRXNPFEDSA-N 2 0 264.413 2.679 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)CC ZINC000872021901 641552383 /nfs/dbraw/zinc/55/23/83/641552383.db2.gz FUKGYFRENCXFAL-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)[C@H]2CCCOC2)C1 ZINC000872024572 641554691 /nfs/dbraw/zinc/55/46/91/641554691.db2.gz TXXGWCDWCBLXLU-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872029499 641559686 /nfs/dbraw/zinc/55/96/86/641559686.db2.gz QRYKJOUNXSXFOD-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000872079968 641613228 /nfs/dbraw/zinc/61/32/28/641613228.db2.gz QYZQSKFSDSNMPA-XHSDSOJGSA-N 2 0 268.445 2.513 20 0 CFADRP COCC(C)(C)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000872106497 641637309 /nfs/dbraw/zinc/63/73/09/641637309.db2.gz RSZQWZOQINWKGJ-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872109046 641639520 /nfs/dbraw/zinc/63/95/20/641639520.db2.gz GMBSJWCUUPOBTQ-KBMXLJTQSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000872132602 641660576 /nfs/dbraw/zinc/66/05/76/641660576.db2.gz IQMVPDKRIHTLIY-FHLIZLRMSA-N 2 0 290.451 2.819 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000872143412 641670213 /nfs/dbraw/zinc/67/02/13/641670213.db2.gz RXMSJXJXLMJDGT-JYJNAYRXSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000872145753 641672735 /nfs/dbraw/zinc/67/27/35/641672735.db2.gz XHSWWUDGEGYIRN-AESZEHBQSA-N 2 0 280.456 2.641 20 0 CFADRP Cc1csc([C@@H]2CC[N@H+](CCCCCC[NH3+])C2)n1 ZINC000872147975 641673592 /nfs/dbraw/zinc/67/35/92/641673592.db2.gz MYFQZGRQOMUSFG-CYBMUJFWSA-N 2 0 267.442 2.760 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872151328 641674109 /nfs/dbraw/zinc/67/41/09/641674109.db2.gz VFGUFARJCAJSBG-KGLIPLIRSA-N 2 0 286.341 2.607 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)nc1 ZINC000872155416 641675804 /nfs/dbraw/zinc/67/58/04/641675804.db2.gz RHUMUHONYCLCMP-JTQLQIEISA-N 2 0 287.329 2.751 20 0 CFADRP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCCCCC[NH3+] ZINC000872155448 641675999 /nfs/dbraw/zinc/67/59/99/641675999.db2.gz RZTKUSBTMXNNKY-ZDUSSCGKSA-N 2 0 295.402 2.604 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCCc3ccc(F)cc31)C2 ZINC000872154181 641676237 /nfs/dbraw/zinc/67/62/37/641676237.db2.gz MQFWPQIXIUIPSV-IAOVAPTHSA-N 2 0 274.383 2.744 20 0 CFADRP CC(=O)Nc1ccc2c(c1)C[N@@H+](CCCCCC[NH3+])CC2 ZINC000872153934 641676249 /nfs/dbraw/zinc/67/62/49/641676249.db2.gz KDCKZWNSJZBIJB-UHFFFAOYSA-N 2 0 289.423 2.522 20 0 CFADRP CCOCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156072 641676836 /nfs/dbraw/zinc/67/68/36/641676836.db2.gz DJLADHGFHOGZKP-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156719 641677371 /nfs/dbraw/zinc/67/73/71/641677371.db2.gz LJSISCLBRFNBER-SQWLQELKSA-N 2 0 268.445 2.641 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872156232 641677692 /nfs/dbraw/zinc/67/76/92/641677692.db2.gz GPMAJUSOPBTQDA-SJLPKXTDSA-N 3 0 293.499 2.606 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2ccon2)C1)C1CCCC1 ZINC000872158477 641679032 /nfs/dbraw/zinc/67/90/32/641679032.db2.gz VMRRGAFABZYLBO-BBRMVZONSA-N 2 0 277.412 2.794 20 0 CFADRP Cn1cc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158435 641679309 /nfs/dbraw/zinc/67/93/09/641679309.db2.gz VEASIPOZMLOUPD-PBHICJAKSA-N 2 0 290.455 2.540 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000872222691 641707714 /nfs/dbraw/zinc/70/77/14/641707714.db2.gz ALKPTNBKEWQIPR-SFHVURJKSA-N 2 0 290.451 2.820 20 0 CFADRP C[NH+](C)CC1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872415498 641802569 /nfs/dbraw/zinc/80/25/69/641802569.db2.gz KQKIUDWFFMYRQM-UHFFFAOYSA-N 2 0 259.397 2.737 20 0 CFADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]c2ccccc21 ZINC000872778731 641932199 /nfs/dbraw/zinc/93/21/99/641932199.db2.gz BKDFRUCYIOSZBD-DLBZAZTESA-N 2 0 267.376 2.908 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219915 642072436 /nfs/dbraw/zinc/07/24/36/642072436.db2.gz BKSCWCPOOAXKPO-RHSMWYFYSA-N 2 0 260.425 2.985 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219959 642072711 /nfs/dbraw/zinc/07/27/11/642072711.db2.gz CQSUPLJYYCHLGX-BRLPQQTGSA-N 2 0 274.408 2.686 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000873221186 642073945 /nfs/dbraw/zinc/07/39/45/642073945.db2.gz FUZCBGSFORRWIQ-SNVBAGLBSA-N 2 0 270.779 2.957 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CC2 ZINC000873220891 642074097 /nfs/dbraw/zinc/07/40/97/642074097.db2.gz VRHIALZYBLSKNV-GUYCJALGSA-N 2 0 288.435 2.530 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)C1CC[NH2+]CC1 ZINC000873220788 642074346 /nfs/dbraw/zinc/07/43/46/642074346.db2.gz TUNOUAREOOACML-CQSZACIVSA-N 2 0 288.435 2.953 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222161 642074810 /nfs/dbraw/zinc/07/48/10/642074810.db2.gz CQSUPLJYYCHLGX-VSKVDJIOSA-N 2 0 274.408 2.686 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC000873222023 642074824 /nfs/dbraw/zinc/07/48/24/642074824.db2.gz XDYIICGKNAMIKB-DGCLKSJQSA-N 2 0 294.489 2.579 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)C1CC[NH2+]CC1 ZINC000873222119 642075434 /nfs/dbraw/zinc/07/54/34/642075434.db2.gz AJJJGJMWWXWAFR-ZDUSSCGKSA-N 2 0 288.435 2.878 20 0 CFADRP CC(C)C[C@H](N)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000873222940 642076828 /nfs/dbraw/zinc/07/68/28/642076828.db2.gz HQMDINZJTKKROQ-KRWDZBQOSA-N 2 0 283.504 2.660 20 0 CFADRP CCc1ncc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223002 642076991 /nfs/dbraw/zinc/07/69/91/642076991.db2.gz GGTBGJCJUTYFQI-OAHLLOKOSA-N 2 0 281.469 2.902 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000873222915 642077180 /nfs/dbraw/zinc/07/71/80/642077180.db2.gz DPYISRMFOQDNGD-SFHVURJKSA-N 2 0 287.451 2.852 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000873224181 642078750 /nfs/dbraw/zinc/07/87/50/642078750.db2.gz XERZXUWFSLDPMD-GOSISDBHSA-N 2 0 288.435 2.818 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+]2Cc3ccccc3[C@@H](C)C2)CC[NH2+]1 ZINC000873228849 642081856 /nfs/dbraw/zinc/08/18/56/642081856.db2.gz XHVVKBHCFSTANR-ZNMIVQPWSA-N 2 0 258.409 2.994 20 0 CFADRP c1ncc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232273 642085418 /nfs/dbraw/zinc/08/54/18/642085418.db2.gz DHAPYXRZDXGVSQ-ZDUSSCGKSA-N 2 0 265.426 2.545 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCCN(Cc2csnn2)C1)C1CCCC1 ZINC000873232670 642086211 /nfs/dbraw/zinc/08/62/11/642086211.db2.gz VNFAFTFQCTVNJM-SWLSCSKDSA-N 2 0 294.468 2.658 20 0 CFADRP c1csc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000873232594 642086555 /nfs/dbraw/zinc/08/65/55/642086555.db2.gz HZXDTLAEOHZXGZ-GFCCVEGCSA-N 2 0 265.426 2.545 20 0 CFADRP Cc1ncccc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873233055 642087430 /nfs/dbraw/zinc/08/74/30/642087430.db2.gz YAZHJUWEQGJNCT-INIZCTEOSA-N 2 0 273.424 2.792 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000873235805 642088156 /nfs/dbraw/zinc/08/81/56/642088156.db2.gz RDXRXFCEOBNGNA-DGCLKSJQSA-N 2 0 279.453 2.643 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000873241625 642090475 /nfs/dbraw/zinc/09/04/75/642090475.db2.gz HQHLRLCKNKZJHU-RRFJBIMHSA-N 2 0 277.387 2.621 20 0 CFADRP CC1(C)C[NH2+]CC[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000873246545 642093214 /nfs/dbraw/zinc/09/32/14/642093214.db2.gz WOTMJBWSORKJTO-INIZCTEOSA-N 2 0 293.499 2.761 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])C(F)(F)F ZINC000873247823 642094133 /nfs/dbraw/zinc/09/41/33/642094133.db2.gz UXJWNGAXRVCDIV-VHSXEESVSA-N 2 0 252.324 2.825 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000873248137 642094504 /nfs/dbraw/zinc/09/45/04/642094504.db2.gz AEORLUZEZJTNNS-JDCHQWLXSA-N 3 0 287.451 2.984 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000873250773 642096920 /nfs/dbraw/zinc/09/69/20/642096920.db2.gz ISSUMKCWGTVPML-RBZYPMLTSA-N 2 0 295.224 2.763 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000873249716 642096960 /nfs/dbraw/zinc/09/69/60/642096960.db2.gz CDSIJJAOXKJVJR-UAGQMJEPSA-N 2 0 258.409 2.643 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000873250937 642097209 /nfs/dbraw/zinc/09/72/09/642097209.db2.gz SBNOSCAWFPXASP-NCOADZHNSA-N 2 0 258.409 2.725 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873251387 642097646 /nfs/dbraw/zinc/09/76/46/642097646.db2.gz LXXRDCBESLGJCV-ORQFMDKSSA-N 2 0 258.409 2.958 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C(F)(F)F ZINC000873251346 642097777 /nfs/dbraw/zinc/09/77/77/642097777.db2.gz WDSXTGHYCUBDNA-SDDRHHMPSA-N 2 0 296.377 2.697 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000873251789 642098031 /nfs/dbraw/zinc/09/80/31/642098031.db2.gz OFNZFZQUAZSEQH-VNHYZAJKSA-N 2 0 262.397 2.782 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873251143 642098228 /nfs/dbraw/zinc/09/82/28/642098228.db2.gz JJYQXIYFIPQDDA-WUHRBBMRSA-N 2 0 276.346 2.848 20 0 CFADRP CC[C@H]([NH2+]CCSCCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873252548 642098539 /nfs/dbraw/zinc/09/85/39/642098539.db2.gz PDONDFMOILLNAK-QWRGUYRKSA-N 2 0 284.391 2.792 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000873252636 642098584 /nfs/dbraw/zinc/09/85/84/642098584.db2.gz UIIWHZXSCQJRJD-NCOADZHNSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252500 642098766 /nfs/dbraw/zinc/09/87/66/642098766.db2.gz ORNYPPMOQDXDDO-WHOHXGKFSA-N 2 0 264.335 2.847 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252723 642099136 /nfs/dbraw/zinc/09/91/36/642099136.db2.gz QRHOIJRBFRLKEO-SPUZQDLCSA-N 2 0 294.483 2.950 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000873254086 642100089 /nfs/dbraw/zinc/10/00/89/642100089.db2.gz KNNJGYOJWVNGAN-BJJXKVORSA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254526 642100257 /nfs/dbraw/zinc/10/02/57/642100257.db2.gz VWJJSXQIBDGUOM-NFAWXSAZSA-N 2 0 262.397 2.862 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256118 642101651 /nfs/dbraw/zinc/10/16/51/642101651.db2.gz KMJSMTMEPPBKPM-OBJOEFQTSA-N 2 0 264.438 2.666 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873255553 642101881 /nfs/dbraw/zinc/10/18/81/642101881.db2.gz HNNATLHIDHRGOY-IXPVHAAZSA-N 2 0 268.351 2.989 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257537 642102584 /nfs/dbraw/zinc/10/25/84/642102584.db2.gz IQJYXZAPUMPGDO-UBHSHLNASA-N 2 0 298.377 2.936 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000873256510 642102808 /nfs/dbraw/zinc/10/28/08/642102808.db2.gz NNAUQWZEMBBJJA-NUTKFTJISA-N 2 0 285.366 2.637 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000873258170 642103339 /nfs/dbraw/zinc/10/33/39/642103339.db2.gz NLBXSLSAFXXVCN-CKYFFXLPSA-N 2 0 288.313 2.973 20 0 CFADRP Cc1cc([C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000873258481 642103499 /nfs/dbraw/zinc/10/34/99/642103499.db2.gz RJJLMYHJVZXBLT-OWQGQXMQSA-N 2 0 299.393 2.945 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873258824 642103573 /nfs/dbraw/zinc/10/35/73/642103573.db2.gz VPMJGWJMSBWPKS-CHIMOYNISA-N 2 0 254.324 2.743 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257979 642103618 /nfs/dbraw/zinc/10/36/18/642103618.db2.gz WJDIBHGDGNUXDE-BPUTZDHNSA-N 2 0 264.388 2.720 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000873258570 642103679 /nfs/dbraw/zinc/10/36/79/642103679.db2.gz SBNOSCAWFPXASP-VQHPVUNQSA-N 2 0 258.409 2.725 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259269 642104565 /nfs/dbraw/zinc/10/45/65/642104565.db2.gz BCDJZXXBSMBARW-DUFGSWQCSA-N 2 0 256.393 2.794 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000873261207 642105096 /nfs/dbraw/zinc/10/50/96/642105096.db2.gz MMFXCMKYHSZPAY-SYEHKZFSSA-N 2 0 265.426 2.633 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261822 642106272 /nfs/dbraw/zinc/10/62/72/642106272.db2.gz SEFQLDQAQOOZSB-SLBVQIDZSA-N 2 0 271.408 2.579 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000873264381 642108083 /nfs/dbraw/zinc/10/80/83/642108083.db2.gz OQSWPFHFTAFLKI-SDSMMKDESA-N 2 0 250.430 2.931 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264833 642108155 /nfs/dbraw/zinc/10/81/55/642108155.db2.gz SBXXWGNWCXQXEW-LUYZLQTOSA-N 2 0 276.399 2.877 20 0 CFADRP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265154 642108209 /nfs/dbraw/zinc/10/82/09/642108209.db2.gz UQCYHPMTTXNODW-ACHSLPGTSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265467 642109413 /nfs/dbraw/zinc/10/94/13/642109413.db2.gz VNKZJPHKKXLIKW-SQNSNAQRSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC[NH2+]CC1 ZINC000873267893 642109958 /nfs/dbraw/zinc/10/99/58/642109958.db2.gz LSRZRHIBHZCRLV-BZNIZROVSA-N 2 0 262.372 2.791 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873266618 642110207 /nfs/dbraw/zinc/11/02/07/642110207.db2.gz OWWMVXBJPCRUMT-OKZBNKHCSA-N 2 0 287.451 2.511 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873266620 642110242 /nfs/dbraw/zinc/11/02/42/642110242.db2.gz OWWMVXBJPCRUMT-SQNIBIBYSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C1CC[NH2+]CC1 ZINC000873267452 642110476 /nfs/dbraw/zinc/11/04/76/642110476.db2.gz CROGVGGLIAVZOD-OLZOCXBDSA-N 2 0 274.408 2.756 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)C1CC[NH2+]CC1 ZINC000873267929 642110558 /nfs/dbraw/zinc/11/05/58/642110558.db2.gz MGWUEBNXZBFSAM-OLZOCXBDSA-N 2 0 286.423 2.612 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873268859 642110809 /nfs/dbraw/zinc/11/08/09/642110809.db2.gz IIBREYNPUBNDKM-BPLDGKMQSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C1CC[NH2+]CC1 ZINC000873268004 642111239 /nfs/dbraw/zinc/11/12/39/642111239.db2.gz OGQVCUUPRQZSGR-NWDGAFQWSA-N 2 0 258.475 2.884 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000873270346 642112499 /nfs/dbraw/zinc/11/24/99/642112499.db2.gz RFMMSYDMMVKYMJ-ZBEGNZNMSA-N 2 0 262.372 2.791 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c(C)n1 ZINC000873271528 642112702 /nfs/dbraw/zinc/11/27/02/642112702.db2.gz INDJZXXQCWGLIE-GXTWGEPZSA-N 2 0 261.413 2.737 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873272718 642113552 /nfs/dbraw/zinc/11/35/52/642113552.db2.gz AXHJMOPMQPKTES-GWOFURMSSA-N 2 0 250.308 2.599 20 0 CFADRP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000873273620 642114371 /nfs/dbraw/zinc/11/43/71/642114371.db2.gz JNRUKBBKEMVWOR-DHGKCCLASA-N 2 0 288.357 2.861 20 0 CFADRP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873273772 642114463 /nfs/dbraw/zinc/11/44/63/642114463.db2.gz MFZDHDMYZRRURO-NRUFJFEESA-N 2 0 274.330 2.756 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000873280585 642116644 /nfs/dbraw/zinc/11/66/44/642116644.db2.gz BONWHJRRUZOGFT-SECBINFHSA-N 2 0 296.358 2.610 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290777 642123086 /nfs/dbraw/zinc/12/30/86/642123086.db2.gz RTQACRKEQPUCHZ-XHSDSOJGSA-N 2 0 282.472 2.950 20 0 CFADRP C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292031 642123702 /nfs/dbraw/zinc/12/37/02/642123702.db2.gz KSYYHMBPNMMTHW-IRXDYDNUSA-N 2 0 292.467 2.704 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291605 642123776 /nfs/dbraw/zinc/12/37/76/642123776.db2.gz LKCKSPCSNJTNBG-IKGGRYGDSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291308 642124182 /nfs/dbraw/zinc/12/41/82/642124182.db2.gz JMBGPMDUQGPUDF-RBSFLKMASA-N 2 0 280.456 2.559 20 0 CFADRP CCCC(CCC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292065 642124231 /nfs/dbraw/zinc/12/42/31/642124231.db2.gz YTONBCASQSVLJG-HNNXBMFYSA-N 2 0 268.445 2.704 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293143 642124973 /nfs/dbraw/zinc/12/49/73/642124973.db2.gz YHGXBQUVELHFKU-GJZGRUSLSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294688 642125314 /nfs/dbraw/zinc/12/53/14/642125314.db2.gz XZBDVXMXNXELBT-RBSFLKMASA-N 2 0 280.456 2.559 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000019915196 642203777 /nfs/dbraw/zinc/20/37/77/642203777.db2.gz MAYVORQYXSYXEB-HNNXBMFYSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000019914752 642203810 /nfs/dbraw/zinc/20/38/10/642203810.db2.gz CDRXWFWMCRRROW-INIZCTEOSA-N 3 0 283.504 2.959 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000876945362 643075646 /nfs/dbraw/zinc/07/56/46/643075646.db2.gz BCFOZCDMCSAALW-QWRGUYRKSA-N 2 0 265.228 2.502 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000877020914 643107370 /nfs/dbraw/zinc/10/73/70/643107370.db2.gz ITDBCMBBRXUGGC-DJJJIMSYSA-N 2 0 290.388 2.641 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000877022673 643108027 /nfs/dbraw/zinc/10/80/27/643108027.db2.gz PQLVKPHCINMERD-FGTMMUONSA-N 2 0 293.499 2.737 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877073975 643136292 /nfs/dbraw/zinc/13/62/92/643136292.db2.gz WSQMWQCJWSCVGV-OUAUKWLOSA-N 2 0 265.228 2.643 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CC(C)C ZINC000877074046 643136642 /nfs/dbraw/zinc/13/66/42/643136642.db2.gz YIEGMAGIOBVUHA-ILXRZTDVSA-N 2 0 256.434 2.510 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089140399 650828197 /nfs/dbraw/zinc/82/81/97/650828197.db2.gz JUBOFRJHJRLXBP-JSGCOSHPSA-N 2 0 284.350 2.895 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000877479418 643296283 /nfs/dbraw/zinc/29/62/83/643296283.db2.gz UIEZVDZSIDUALE-PWSUYJOCSA-N 2 0 277.239 2.787 20 0 CFADRP COc1c(C)cnc(C[NH2+]CCCC[N@H+](C)C2CC2)c1C ZINC000877577465 643374707 /nfs/dbraw/zinc/37/47/07/643374707.db2.gz DJFPZHWECRFSQT-UHFFFAOYSA-N 2 0 291.439 2.671 20 0 CFADRP CSC(C)(C)CC[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000877583242 643378750 /nfs/dbraw/zinc/37/87/50/643378750.db2.gz GXOIFELORWYQME-UHFFFAOYSA-N 2 0 263.410 2.956 20 0 CFADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000877617724 643404064 /nfs/dbraw/zinc/40/40/64/643404064.db2.gz SYECFEKVHZBOSY-WZFJYNIESA-N 2 0 290.388 2.639 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC1(Cl)Cl)CC2 ZINC000877683631 643452506 /nfs/dbraw/zinc/45/25/06/643452506.db2.gz FNCLJYJMAAPVCF-LBPRGKRZSA-N 2 0 291.266 2.988 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000877711244 643476829 /nfs/dbraw/zinc/47/68/29/643476829.db2.gz AJYZZFGZVZEYSD-UHFFFAOYSA-N 2 0 279.403 2.760 20 0 CFADRP COC[C@@H](C)C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718866 643481912 /nfs/dbraw/zinc/48/19/12/643481912.db2.gz WODLGDIJFJLCPW-INIZCTEOSA-N 2 0 290.451 2.522 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc4C3)CC[C@H]21 ZINC000877737451 643498522 /nfs/dbraw/zinc/49/85/22/643498522.db2.gz GHIYTJXIHOUWDL-ATZDWAIDSA-N 2 0 284.447 2.818 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)C1CCCCC1 ZINC000877741636 643510620 /nfs/dbraw/zinc/51/06/20/643510620.db2.gz WKKQHVFUEOJMPH-IXDOHACOSA-N 2 0 280.456 2.608 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000877742556 643512632 /nfs/dbraw/zinc/51/26/32/643512632.db2.gz FEXCZGUKWDQSEG-IAGOWNOFSA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000877742674 643516479 /nfs/dbraw/zinc/51/64/79/643516479.db2.gz QKCNUQHCGRMRKS-XMTFNYHQSA-N 2 0 270.420 2.816 20 0 CFADRP Cc1c(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cnn1C ZINC000877767228 643546781 /nfs/dbraw/zinc/54/67/81/643546781.db2.gz COIVODPDYKYABU-UHFFFAOYSA-N 2 0 292.471 2.528 20 0 CFADRP CC(C)C[N@H+](CCC[C@@H]1CCO1)CC1CC[NH+](C)CC1 ZINC000877767486 643547039 /nfs/dbraw/zinc/54/70/39/643547039.db2.gz KSACEDHDFFEOIA-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC[C@H]2C=CCC2)CC1 ZINC000877807589 643570395 /nfs/dbraw/zinc/57/03/95/643570395.db2.gz XINOILZUDXQDKH-HNNXBMFYSA-N 2 0 280.456 2.558 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000877989503 643681995 /nfs/dbraw/zinc/68/19/95/643681995.db2.gz VRZBAQRPQJZMPI-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878034685 643703782 /nfs/dbraw/zinc/70/37/82/643703782.db2.gz RFDLLJDAAZWWPX-PVAVHDDUSA-N 2 0 280.456 2.749 20 0 CFADRP C([C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1)[NH+]1CCCC1 ZINC000878124559 643748938 /nfs/dbraw/zinc/74/89/38/643748938.db2.gz IKCSXBVRPPMSFF-CVEARBPZSA-N 2 0 278.440 2.506 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000878196620 643787894 /nfs/dbraw/zinc/78/78/94/643787894.db2.gz HFTVPAPLJTYGCB-BZUAXINKSA-N 2 0 278.440 2.504 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878511844 643922144 /nfs/dbraw/zinc/92/21/44/643922144.db2.gz HPZQIOLYEMSTNM-GJZGRUSLSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878513263 643922490 /nfs/dbraw/zinc/92/24/90/643922490.db2.gz YUSIMSRWQGLTAJ-GJZGRUSLSA-N 2 0 268.445 2.750 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CC4(CCC4)CO3)C2)CC1 ZINC000878549909 643938064 /nfs/dbraw/zinc/93/80/64/643938064.db2.gz RBFQFUCKNCAVNA-INIZCTEOSA-N 2 0 292.467 2.753 20 0 CFADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608407 643956028 /nfs/dbraw/zinc/95/60/28/643956028.db2.gz QVZLOIMBTWQDKU-ATTSAYNDSA-N 2 0 278.440 2.501 20 0 CFADRP C[N@H+](C[C@H]1CC2(CCC2)CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608094 643956531 /nfs/dbraw/zinc/95/65/31/643956531.db2.gz GMLZRVBYBZQZFZ-VFSICIBPSA-N 2 0 278.440 2.503 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCCCCCCO)CC1 ZINC000879201836 644173256 /nfs/dbraw/zinc/17/32/56/644173256.db2.gz UUOMUXMJGNNVOP-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC000879209199 644176122 /nfs/dbraw/zinc/17/61/22/644176122.db2.gz GOFIRWRMIWCWPU-INIZCTEOSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H](c1ccncc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247723 644193194 /nfs/dbraw/zinc/19/31/94/644193194.db2.gz HGZUXSSXXALAHS-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP C[C@@H](c1ccccn1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249231 644195119 /nfs/dbraw/zinc/19/51/19/644195119.db2.gz JKOUYNHKDKPBCP-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000247167227 650899469 /nfs/dbraw/zinc/89/94/69/650899469.db2.gz UMFQHYJMWRFDQU-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091541798 650902664 /nfs/dbraw/zinc/90/26/64/650902664.db2.gz AUEQMNBRKJKCOF-XQQFMLRXSA-N 2 0 250.361 2.946 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545240 650902830 /nfs/dbraw/zinc/90/28/30/650902830.db2.gz MJKYCAPYEUBNST-OCCSQVGLSA-N 2 0 252.789 2.899 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)C1CCC([NH3+])CC1 ZINC000091846563 650910136 /nfs/dbraw/zinc/91/01/36/650910136.db2.gz HDGQWQBOBLNKIX-UHFFFAOYSA-N 2 0 282.815 2.921 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879571028 644329424 /nfs/dbraw/zinc/32/94/24/644329424.db2.gz LLHIYKQVSJIWBY-DLBZAZTESA-N 2 0 288.435 2.790 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580763 644339617 /nfs/dbraw/zinc/33/96/17/644339617.db2.gz KFXOLONHCRAACY-SJORKVTESA-N 2 0 288.435 2.654 20 0 CFADRP CCC(O)(CC)C(C)(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000879699078 644387020 /nfs/dbraw/zinc/38/70/20/644387020.db2.gz GIJFZGYDLCUJIB-UHFFFAOYSA-N 2 0 270.461 2.782 20 0 CFADRP CC(C)C[N@H+](CCOCC(F)F)CC1CC[NH+](C)CC1 ZINC000879703315 644389118 /nfs/dbraw/zinc/38/91/18/644389118.db2.gz HXOUEHANMZDFEW-UHFFFAOYSA-N 2 0 292.414 2.568 20 0 CFADRP CO[C@@H]1CC[C@H]([NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879950764 644470079 /nfs/dbraw/zinc/47/00/79/644470079.db2.gz BPPJRQSGAQOIOI-JKSUJKDBSA-N 2 0 280.456 2.894 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000879952736 644471369 /nfs/dbraw/zinc/47/13/69/644471369.db2.gz ZUADQVLMFRLDIZ-INIZCTEOSA-N 2 0 280.456 2.896 20 0 CFADRP FC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880236740 644599626 /nfs/dbraw/zinc/59/96/26/644599626.db2.gz HDNMQJWHPWKIFC-QZLXFXEDSA-N 2 0 286.410 2.906 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CCC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258598 644615809 /nfs/dbraw/zinc/61/58/09/644615809.db2.gz AXHWEYCHJHBJKK-HOCLYGCPSA-N 2 0 289.423 2.550 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258333 644616109 /nfs/dbraw/zinc/61/61/09/644616109.db2.gz GBZBMBVUXZWWTE-MRXNPFEDSA-N 2 0 296.418 2.538 20 0 CFADRP CC(C)OC1CC([N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000880258826 644617349 /nfs/dbraw/zinc/61/73/49/644617349.db2.gz JRKSCIJEFPPJNH-OOHWJJMZSA-N 2 0 289.423 2.548 20 0 CFADRP FC[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](CF)C2)C1 ZINC000880297587 644637926 /nfs/dbraw/zinc/63/79/26/644637926.db2.gz PZVSJXAEBFRBCT-GASCZTMLSA-N 2 0 274.399 2.740 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC2(C)C)cc1 ZINC000093460223 650939994 /nfs/dbraw/zinc/93/99/94/650939994.db2.gz HBQATDFUZGJYSX-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451519 650940409 /nfs/dbraw/zinc/94/04/09/650940409.db2.gz YTDHEBCCTSFTKN-HRCADAONSA-N 2 0 262.372 2.836 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473931 644728651 /nfs/dbraw/zinc/72/86/51/644728651.db2.gz PXYUSXBTBIPGQQ-QGZVFWFLSA-N 2 0 293.499 2.810 20 0 CFADRP CO[C@H](CC(C)C)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474152 644728743 /nfs/dbraw/zinc/72/87/43/644728743.db2.gz FBQJVOZRNTYZGP-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000094372460 650957038 /nfs/dbraw/zinc/95/70/38/650957038.db2.gz CIMUIUHLPLUUSR-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1F ZINC000094952630 650966529 /nfs/dbraw/zinc/96/65/29/650966529.db2.gz RVROMRVZOZSFKE-LBPRGKRZSA-N 2 0 250.361 2.784 20 0 CFADRP c1cncc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000249900991 650969909 /nfs/dbraw/zinc/96/99/09/650969909.db2.gz HQIMLSFYYJUQEA-GVDBMIGSSA-N 2 0 273.424 2.525 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000249937911 650970014 /nfs/dbraw/zinc/97/00/14/650970014.db2.gz GRQKINUQZRFYSD-YLFCFFPRSA-N 2 0 281.488 2.617 20 0 CFADRP Fc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250128048 650971516 /nfs/dbraw/zinc/97/15/16/650971516.db2.gz YTDHEBCCTSFTKN-ARFHVFGLSA-N 2 0 262.372 2.836 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000250197491 650972141 /nfs/dbraw/zinc/97/21/41/650972141.db2.gz YWDKUIRSBHIFRX-BFHYXJOUSA-N 2 0 279.453 2.586 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000129317293 645150008 /nfs/dbraw/zinc/15/00/08/645150008.db2.gz PWNNJDMZRPCKAC-GXTWGEPZSA-N 2 0 250.361 2.927 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882915336 645509563 /nfs/dbraw/zinc/50/95/63/645509563.db2.gz NHWDRDFWICKEDU-OAHLLOKOSA-N 2 0 288.435 2.581 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000130903064 645589602 /nfs/dbraw/zinc/58/96/02/645589602.db2.gz ASKCIYGDXNUAAG-NEPJUHHUSA-N 2 0 284.350 2.938 20 0 CFADRP CC(C)c1c[nH]c(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000883130450 645617748 /nfs/dbraw/zinc/61/77/48/645617748.db2.gz FSBKIFOASIBTDS-UHFFFAOYSA-N 2 0 278.444 2.889 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]Cc3cccc4c3CCOC4)ccc12 ZINC000883144218 645623956 /nfs/dbraw/zinc/62/39/56/645623956.db2.gz IMUXYZTWQKDRLP-UHFFFAOYSA-N 2 0 293.370 2.697 20 0 CFADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000252952244 651030058 /nfs/dbraw/zinc/03/00/58/651030058.db2.gz FOLIYWCSSMDUDE-XJFOESAGSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000883185658 645647805 /nfs/dbraw/zinc/64/78/05/645647805.db2.gz BJSORMCNOXQRBN-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC(F)(F)C1 ZINC000883255225 645700893 /nfs/dbraw/zinc/70/08/93/645700893.db2.gz OYGROSQRVUZFIS-UHFFFAOYSA-N 2 0 272.383 2.886 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC(F)F)[C@@H](C)C1 ZINC000883259054 645703264 /nfs/dbraw/zinc/70/32/64/645703264.db2.gz ZODUGVJVEKXNDO-RYUDHWBXSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000883273725 645715297 /nfs/dbraw/zinc/71/52/97/645715297.db2.gz REEAGUYOLJCLPN-JHJVBQTASA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000253200644 651040191 /nfs/dbraw/zinc/04/01/91/651040191.db2.gz XJFFYPZWZXVWFM-FRFSOERESA-N 2 0 258.409 2.981 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCOC1 ZINC000883352509 645756199 /nfs/dbraw/zinc/75/61/99/645756199.db2.gz CDFXNCULCACVHK-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1oc(-c2cccs2)nc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131642138 645777747 /nfs/dbraw/zinc/77/77/47/645777747.db2.gz RSRKFPRHNPSLJQ-CMPLNLGQSA-N 2 0 291.420 2.881 20 0 CFADRP CC1(C)C[C@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)C(C)(C)O1 ZINC000883416034 645809272 /nfs/dbraw/zinc/80/92/72/645809272.db2.gz KFXAYMZFQDVBNA-CYBMUJFWSA-N 2 0 280.456 2.797 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416449 645809618 /nfs/dbraw/zinc/80/96/18/645809618.db2.gz VFOPVBZBWOLWCM-USXIJHARSA-N 2 0 274.408 2.577 20 0 CFADRP C[N@H+](Cc1nsc2ccccc21)C1CCC([NH3+])CC1 ZINC000883417473 645811079 /nfs/dbraw/zinc/81/10/79/645811079.db2.gz ASLSRZBXDVTVER-UHFFFAOYSA-N 2 0 275.421 2.998 20 0 CFADRP FC1(F)CCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428072 645822041 /nfs/dbraw/zinc/82/20/41/645822041.db2.gz KXPBXYPWQSSLJK-UONOGXRCSA-N 2 0 272.383 2.887 20 0 CFADRP CN(C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@H](C[NH3+])C1CC1 ZINC000883428313 645822667 /nfs/dbraw/zinc/82/26/67/645822667.db2.gz QSTCIVPLQQHSSI-RCCFBDPRSA-N 2 0 288.435 2.966 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000883430333 645823833 /nfs/dbraw/zinc/82/38/33/645823833.db2.gz SGIOTPCZPIUJCT-HRCADAONSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883430520 645824682 /nfs/dbraw/zinc/82/46/82/645824682.db2.gz WWUIZGCCMBDMQE-FDYHWXHSSA-N 2 0 260.372 2.788 20 0 CFADRP [NH3+]CCC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000883435174 645829517 /nfs/dbraw/zinc/82/95/17/645829517.db2.gz LYBYIEYAFJKASD-ZDUSSCGKSA-N 2 0 260.372 2.873 20 0 CFADRP CC1(C)CC[NH2+]CCN1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883439308 645832087 /nfs/dbraw/zinc/83/20/87/645832087.db2.gz OHBFJLNDTVPXOZ-IAGOWNOFSA-N 2 0 288.435 2.981 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000883447362 645837514 /nfs/dbraw/zinc/83/75/14/645837514.db2.gz AFASRBJNVDWVJO-INIZCTEOSA-N 2 0 298.434 2.866 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000883462180 645843415 /nfs/dbraw/zinc/84/34/15/645843415.db2.gz LMMRTZYTZVPUJN-WFASDCNBSA-N 2 0 259.397 2.521 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000885922751 646768684 /nfs/dbraw/zinc/76/86/84/646768684.db2.gz GXMNUVSLTAWCNZ-CYBMUJFWSA-N 2 0 278.444 2.628 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1C ZINC000885923066 646769566 /nfs/dbraw/zinc/76/95/66/646769566.db2.gz PEGYVPAJKLKSTE-CYBMUJFWSA-N 2 0 278.444 2.771 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885955852 646782316 /nfs/dbraw/zinc/78/23/16/646782316.db2.gz CMANZLCDVVZKIX-QZTJIDSGSA-N 2 0 294.483 2.998 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C)co2)CC1 ZINC000885969334 646789359 /nfs/dbraw/zinc/78/93/59/646789359.db2.gz OTWRTSBQVSNSQZ-UHFFFAOYSA-N 2 0 250.386 2.800 20 0 CFADRP C[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000886010009 646813677 /nfs/dbraw/zinc/81/36/77/646813677.db2.gz CBVNVMVMAMQPRE-AEFFLSMTSA-N 2 0 290.451 2.723 20 0 CFADRP Cc1n[nH]c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1C ZINC000886013175 646815169 /nfs/dbraw/zinc/81/51/69/646815169.db2.gz XQPCSKLVXALSAG-UHFFFAOYSA-N 2 0 290.455 2.913 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C/C=C/c1cccc(F)c1 ZINC000886014849 646817270 /nfs/dbraw/zinc/81/72/70/646817270.db2.gz QARINRMHDRMDDI-DBWMJRBXSA-N 2 0 294.414 2.785 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSC(F)(F)F)[C@H](C)C1 ZINC000886069949 646853391 /nfs/dbraw/zinc/85/33/91/646853391.db2.gz MUIGUFJZUCJJHH-GHMZBOCLSA-N 2 0 284.391 2.902 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000886143204 646892721 /nfs/dbraw/zinc/89/27/21/646892721.db2.gz WHRGCENENLSTQQ-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000886281353 646950878 /nfs/dbraw/zinc/95/08/78/646950878.db2.gz WUIKLWVYLZGDMA-CAEXGNQWSA-N 2 0 250.430 2.741 20 0 CFADRP CSCC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCSC)CC1 ZINC000886389543 646994636 /nfs/dbraw/zinc/99/46/36/646994636.db2.gz NLABNMZYICJKAO-HDJSIYSDSA-N 2 0 290.542 2.887 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000886422651 646998792 /nfs/dbraw/zinc/99/87/92/646998792.db2.gz VSUUKXAQTFXPTL-MSOLQXFVSA-N 2 0 292.467 2.544 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886522030 647026429 /nfs/dbraw/zinc/02/64/29/647026429.db2.gz ATOXXOKXBPEFEL-QGZVFWFLSA-N 2 0 292.471 2.829 20 0 CFADRP CC[C@H](C)[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525934 647029118 /nfs/dbraw/zinc/02/91/18/647029118.db2.gz BEBXDQWHRNJYJZ-ORBLRFAASA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000886532362 647032615 /nfs/dbraw/zinc/03/26/15/647032615.db2.gz IBCWWULPSHRUKC-ODIFPOPNSA-N 2 0 290.455 2.868 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886531971 647032626 /nfs/dbraw/zinc/03/26/26/647032626.db2.gz AIDPLMAMAYMRJY-MRXNPFEDSA-N 2 0 273.424 2.781 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](CCO)C2CC2)CC1 ZINC000886549089 647042894 /nfs/dbraw/zinc/04/28/94/647042894.db2.gz BNQCQYWDTXVCCJ-CGZBRXJRSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H](CO)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886556405 647045561 /nfs/dbraw/zinc/04/55/61/647045561.db2.gz ARMKZMOQUAGZHL-GTPINHCMSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H]1OCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886558968 647046958 /nfs/dbraw/zinc/04/69/58/647046958.db2.gz WRWIFAGDXBRTBB-YHNBSYBMSA-N 2 0 266.429 2.551 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000886588516 647056404 /nfs/dbraw/zinc/05/64/04/647056404.db2.gz TWDQTSGIRZJFNU-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@H](C[C@H](C)O)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886588106 647056752 /nfs/dbraw/zinc/05/67/52/647056752.db2.gz LGYOHQMVDVZJMB-QVOMUQBLSA-N 2 0 268.445 2.533 20 0 CFADRP CN(C)C1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886597213 647060413 /nfs/dbraw/zinc/06/04/13/647060413.db2.gz ZBZRNTMHBLHZLY-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000886605601 647064209 /nfs/dbraw/zinc/06/42/09/647064209.db2.gz VCEOVXTZRJOACF-ADKAHSJRSA-N 2 0 294.483 2.924 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000886612711 647067166 /nfs/dbraw/zinc/06/71/66/647067166.db2.gz SGVOERNCKIWKCF-LXPRWKDFSA-N 2 0 294.483 2.924 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000886622586 647073274 /nfs/dbraw/zinc/07/32/74/647073274.db2.gz XQCOXEORLLTGLP-ORBLRFAASA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]1CC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000886623689 647074317 /nfs/dbraw/zinc/07/43/17/647074317.db2.gz LCNPVJUTNKZPMF-ORBLRFAASA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886638244 647081777 /nfs/dbraw/zinc/08/17/77/647081777.db2.gz OXMOODNRMYCQQI-SOEBMCCKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H](C[C@H](C)O)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886650029 647088556 /nfs/dbraw/zinc/08/85/56/647088556.db2.gz NVAFSXABUXVTCZ-JUVOFCAFSA-N 2 0 282.472 2.923 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000886721654 647122263 /nfs/dbraw/zinc/12/22/63/647122263.db2.gz GHMXKAFRFPQJJM-BBRMVZONSA-N 2 0 294.414 2.697 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000886832674 647156619 /nfs/dbraw/zinc/15/66/19/647156619.db2.gz LGIAISLVPGZCQS-BBWFWOEESA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CC[C@@H]1C[C@H]1C1CC1)CC[NH2+]CC2 ZINC000886840254 647159688 /nfs/dbraw/zinc/15/96/88/647159688.db2.gz XURSZDSZSPMKDV-BMFZPTHFSA-N 2 0 262.441 2.887 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000886857928 647162910 /nfs/dbraw/zinc/16/29/10/647162910.db2.gz GANPMUUOFOADKK-GJZGRUSLSA-N 2 0 293.480 2.706 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000886874172 647165100 /nfs/dbraw/zinc/16/51/00/647165100.db2.gz HZGGOPDBDGHHFU-ROUUACIJSA-N 2 0 288.435 2.840 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871853 647165281 /nfs/dbraw/zinc/16/52/81/647165281.db2.gz CRMOXHBJTWWWEC-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872702 647165582 /nfs/dbraw/zinc/16/55/82/647165582.db2.gz YWDWLXYHVGBNEV-SFHVURJKSA-N 2 0 287.451 2.718 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871852 647165705 /nfs/dbraw/zinc/16/57/05/647165705.db2.gz CRMOXHBJTWWWEC-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)O1 ZINC000886876106 647166527 /nfs/dbraw/zinc/16/65/27/647166527.db2.gz INNGFSNWMJAVAK-RDJZCZTQSA-N 2 0 280.456 2.800 20 0 CFADRP COc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC000887130258 647221499 /nfs/dbraw/zinc/22/14/99/647221499.db2.gz AFIVTACGXFQOHO-OAHLLOKOSA-N 2 0 297.402 2.801 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCCCCCO ZINC000887132336 647222456 /nfs/dbraw/zinc/22/24/56/647222456.db2.gz CWOWBJQCAXNWLN-MRXNPFEDSA-N 2 0 291.439 2.535 20 0 CFADRP CC(C)OC1CC([N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887134988 647223468 /nfs/dbraw/zinc/22/34/68/647223468.db2.gz UBQIRLJZUORLCC-ODIFPOPNSA-N 2 0 289.423 2.548 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccsc1 ZINC000887134945 647223707 /nfs/dbraw/zinc/22/37/07/647223707.db2.gz SWCSVTDXZQHXHJ-CYBMUJFWSA-N 2 0 273.405 2.854 20 0 CFADRP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1 ZINC000887134241 647224023 /nfs/dbraw/zinc/22/40/23/647224023.db2.gz FWYHIRXNDJLBKP-HNNXBMFYSA-N 2 0 297.402 2.801 20 0 CFADRP C[NH+](CCCF)Cc1cncc(C[N@H+](C)CCCF)c1 ZINC000887142528 647230222 /nfs/dbraw/zinc/23/02/22/647230222.db2.gz OFIMJZFYVPIMCT-UHFFFAOYSA-N 2 0 285.382 2.664 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000221988642 647239778 /nfs/dbraw/zinc/23/97/78/647239778.db2.gz WCOHONBXRAQYFC-ZFWWWQNUSA-N 2 0 276.399 2.831 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222051885 647242055 /nfs/dbraw/zinc/24/20/55/647242055.db2.gz ATOOFDILEOKXQO-ZFWWWQNUSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000104132752 647549061 /nfs/dbraw/zinc/54/90/61/647549061.db2.gz PIXIAVJIHKYOPN-NEPJUHHUSA-N 2 0 250.361 2.946 20 0 CFADRP CCN1CCC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925494849 647845608 /nfs/dbraw/zinc/84/56/08/647845608.db2.gz PGNAFBSWXLVPPB-IAGOWNOFSA-N 2 0 275.440 2.541 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000924530037 647988397 /nfs/dbraw/zinc/98/83/97/647988397.db2.gz YUILIBKGDQISBD-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)C[C@](C)(O)CC)CC1 ZINC000924577211 647998629 /nfs/dbraw/zinc/99/86/29/647998629.db2.gz HNRIATHAUFHXHO-GOEBONIOSA-N 2 0 270.461 2.780 20 0 CFADRP CC1(C)CC2(CC([NH2+]CCC[NH+]3CCCCC3)C2)CO1 ZINC000924579443 647999333 /nfs/dbraw/zinc/99/93/33/647999333.db2.gz WVOZTRFKRAVXDL-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924584318 648001377 /nfs/dbraw/zinc/00/13/77/648001377.db2.gz VXEUQWPEJVXLGD-RLFYNMQTSA-N 2 0 288.435 2.795 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000924617261 648009011 /nfs/dbraw/zinc/00/90/11/648009011.db2.gz LQGXDGWKGZFYCJ-AWEZNQCLSA-N 2 0 278.444 2.600 20 0 CFADRP CC(C)C[C@@H](C[NH2+][C@H](C)Cc1ccccn1)N(C)C ZINC000924630110 648012241 /nfs/dbraw/zinc/01/22/41/648012241.db2.gz XBPNXIOQYUMZDF-ZBFHGGJFSA-N 2 0 263.429 2.579 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCOC[C@H]1C(C)C)N1CCCC1 ZINC000924630445 648012531 /nfs/dbraw/zinc/01/25/31/648012531.db2.gz DATJHISKUZFZGS-YESZJQIVSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924628841 648012782 /nfs/dbraw/zinc/01/27/82/648012782.db2.gz MQTLFCSYNUDADS-FUHWJXTLSA-N 2 0 294.483 2.902 20 0 CFADRP C([NH2+][C@H]1CCOC12CCCCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924651102 648019894 /nfs/dbraw/zinc/01/98/94/648019894.db2.gz UYBAAJRRMIQZNA-HOCLYGCPSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccnnc1 ZINC000924686459 648026891 /nfs/dbraw/zinc/02/68/91/648026891.db2.gz LQNHIWLBJXFXFW-LSDHHAIUSA-N 2 0 276.428 2.782 20 0 CFADRP C1C[C@H]2C[C@@H]([NH2+][C@H]3CCOC34CCCCC4)CC[N@@H+]2C1 ZINC000924695443 648028904 /nfs/dbraw/zinc/02/89/04/648028904.db2.gz KKAYSOYRZCXUSE-JYJNAYRXSA-N 2 0 278.440 2.695 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924704446 648031997 /nfs/dbraw/zinc/03/19/97/648031997.db2.gz DSAMGBXMKFJFKB-HUUCEWRRSA-N 2 0 290.451 2.906 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000924725933 648037015 /nfs/dbraw/zinc/03/70/15/648037015.db2.gz IRBGZGJVQSATSM-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924754108 648042126 /nfs/dbraw/zinc/04/21/26/648042126.db2.gz SVTVBROOSWQAFN-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[NH2+][C@H]1CCCN2CCCC[C@H]12)COC1CCCC1 ZINC000924865605 648062409 /nfs/dbraw/zinc/06/24/09/648062409.db2.gz HZJLUFXZYRMMPZ-DLBZAZTESA-N 2 0 280.456 2.942 20 0 CFADRP Cc1nccn1CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924874456 648063375 /nfs/dbraw/zinc/06/33/75/648063375.db2.gz RVBHELJTEJBVJE-AWEZNQCLSA-N 2 0 286.423 2.604 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000924912502 648071062 /nfs/dbraw/zinc/07/10/62/648071062.db2.gz OLOMGOKTSHBSOJ-MRXNPFEDSA-N 2 0 282.472 2.902 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000924913256 648071198 /nfs/dbraw/zinc/07/11/98/648071198.db2.gz VCIXQUCYAFBYRZ-DQPZFDDXSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)C1(Br)CC1 ZINC000924952309 648077610 /nfs/dbraw/zinc/07/76/10/648077610.db2.gz VCZUCJAJABBHSN-NWDGAFQWSA-N 2 0 291.277 2.868 20 0 CFADRP Cc1nccn1C[C@@H](C)C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924952024 648077775 /nfs/dbraw/zinc/07/77/75/648077775.db2.gz MRMFFYDWUGHUHF-KTAKPFMOSA-N 2 0 291.439 2.765 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924955144 648078955 /nfs/dbraw/zinc/07/89/55/648078955.db2.gz MYIQLXNFYOIUQP-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925034039 648091862 /nfs/dbraw/zinc/09/18/62/648091862.db2.gz PNPLAWYNOKHALK-KRWDZBQOSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CO[C@H]1C ZINC000925048046 648094361 /nfs/dbraw/zinc/09/43/61/648094361.db2.gz DEWXIDKAALUBCR-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1coc2ccccc21 ZINC000925117517 648109472 /nfs/dbraw/zinc/10/94/72/648109472.db2.gz OZSMRNWCWNGMHL-ZDUSSCGKSA-N 2 0 288.391 2.540 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925135389 648113563 /nfs/dbraw/zinc/11/35/63/648113563.db2.gz WDALXOXHRSRUBS-SJORKVTESA-N 3 0 290.455 2.578 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000925152042 648117607 /nfs/dbraw/zinc/11/76/07/648117607.db2.gz QVXRUIYPDWGXAH-SFHVURJKSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](NCc1ccon1)c1cccc(C[NH+](C)C)c1 ZINC000925212518 648132606 /nfs/dbraw/zinc/13/26/06/648132606.db2.gz RWXQZVJOFCLNDD-GFCCVEGCSA-N 2 0 259.353 2.587 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000925218910 648134075 /nfs/dbraw/zinc/13/40/75/648134075.db2.gz ADHUVIBIPRUFCP-QZTJIDSGSA-N 2 0 295.515 2.959 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000925223099 648135026 /nfs/dbraw/zinc/13/50/26/648135026.db2.gz VGEIVCNGKNPFLG-GVDBMIGSSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cn(C)cn1 ZINC000925227184 648136121 /nfs/dbraw/zinc/13/61/21/648136121.db2.gz BTSRKJWDJFOLNQ-FHERZECASA-N 2 0 290.455 2.868 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000925239553 648139651 /nfs/dbraw/zinc/13/96/51/648139651.db2.gz GBWGDEAIOLWTFO-IAGOWNOFSA-N 2 0 290.451 2.929 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000925242655 648140962 /nfs/dbraw/zinc/14/09/62/648140962.db2.gz HJVXMMRRYBAEPW-NVXWUHKLSA-N 2 0 293.499 2.712 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925303131 648153608 /nfs/dbraw/zinc/15/36/08/648153608.db2.gz LKDXPHSVDGIJJG-ZBFHGGJFSA-N 2 0 270.461 2.779 20 0 CFADRP CCn1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000925427555 648168991 /nfs/dbraw/zinc/16/89/91/648168991.db2.gz BEXFZCKZVXVOSV-AWEZNQCLSA-N 2 0 286.423 2.815 20 0 CFADRP CC[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925458828 648173955 /nfs/dbraw/zinc/17/39/55/648173955.db2.gz HMNOGSLNKJNPIY-WMLDXEAASA-N 2 0 278.440 2.950 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCCCC1 ZINC000925475171 648178519 /nfs/dbraw/zinc/17/85/19/648178519.db2.gz GDGPGAJGTMYIBG-RCCFBDPRSA-N 2 0 294.483 2.686 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925485449 648181273 /nfs/dbraw/zinc/18/12/73/648181273.db2.gz NGWGQGHYOHFCIH-ILXRZTDVSA-N 3 0 292.471 2.793 20 0 CFADRP c1ccc([C@H](CN[C@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)cc1 ZINC000925491526 648182437 /nfs/dbraw/zinc/18/24/37/648182437.db2.gz DFPPFACFULGIJB-ROUUACIJSA-N 2 0 299.462 2.698 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925499858 648185811 /nfs/dbraw/zinc/18/58/11/648185811.db2.gz BCFGCUVAOMSCHA-MAZHCROVSA-N 2 0 276.424 2.736 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925503950 648187926 /nfs/dbraw/zinc/18/79/26/648187926.db2.gz OIZXLEJIGKDYEM-FZKCQIBNSA-N 2 0 293.499 2.602 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNc1ccccc1 ZINC000925505822 648188673 /nfs/dbraw/zinc/18/86/73/648188673.db2.gz STNRBSJTKSOIBO-KWOWKCNFSA-N 2 0 273.424 2.594 20 0 CFADRP c1ccc(C[N@@H+]2CC[C@@H](N[C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925507212 648189423 /nfs/dbraw/zinc/18/94/23/648189423.db2.gz UOGMDWOIBWCFAR-MSOLQXFVSA-N 2 0 299.462 2.525 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2ccccc2F)C[C@@H]([NH3+])C1 ZINC000925509038 648190449 /nfs/dbraw/zinc/19/04/49/648190449.db2.gz KLMHQQWDAHRTMU-OLZOCXBDSA-N 2 0 280.387 2.700 20 0 CFADRP COCc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1F ZINC000925509279 648190463 /nfs/dbraw/zinc/19/04/63/648190463.db2.gz MUZNXKKPVNRRTH-HUUCEWRRSA-N 2 0 294.414 2.968 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCn2cnc3ccccc32)C1 ZINC000925508831 648190510 /nfs/dbraw/zinc/19/05/10/648190510.db2.gz SIJMBJKWRWSBQE-ZIAGYGMSSA-N 2 0 286.423 2.532 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925511205 648191482 /nfs/dbraw/zinc/19/14/82/648191482.db2.gz IRRLLRYYCMJHPK-HUUCEWRRSA-N 2 0 276.449 2.947 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C12CCC2 ZINC000925512883 648192475 /nfs/dbraw/zinc/19/24/75/648192475.db2.gz GJGVRWYCEDPBMG-ZIAGYGMSSA-N 2 0 296.361 2.690 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925514010 648193618 /nfs/dbraw/zinc/19/36/18/648193618.db2.gz CVWUOWFPGSSAAR-CJNGLKHVSA-N 2 0 276.424 2.919 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925520361 648196276 /nfs/dbraw/zinc/19/62/76/648196276.db2.gz RRXYKPGTMZQMSK-DOTOQJQBSA-N 2 0 275.440 2.541 20 0 CFADRP c1ccc([C@H](C[NH+]2CCCC2)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925521715 648197118 /nfs/dbraw/zinc/19/71/18/648197118.db2.gz ZWOBHLFVDABTHZ-ROUUACIJSA-N 2 0 299.462 2.698 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925520803 648197262 /nfs/dbraw/zinc/19/72/62/648197262.db2.gz SRNFQBFOWHHPJT-IRXDYDNUSA-N 2 0 293.499 2.619 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000925522755 648198836 /nfs/dbraw/zinc/19/88/36/648198836.db2.gz UBWAYYRDWQQTQQ-KRWDZBQOSA-N 2 0 293.499 2.761 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925529186 648201081 /nfs/dbraw/zinc/20/10/81/648201081.db2.gz CGUTVSGIMPJWRC-ZYVDXKMPSA-N 2 0 280.481 2.637 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(-n2cccn2)c1 ZINC000925527773 648201726 /nfs/dbraw/zinc/20/17/26/648201726.db2.gz QNSZNWIZOGHHJX-XKQJLSEDSA-N 2 0 296.418 2.793 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925529152 648201851 /nfs/dbraw/zinc/20/18/51/648201851.db2.gz WVHSPZIERVQYHQ-CVEARBPZSA-N 2 0 276.424 2.829 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925530815 648202487 /nfs/dbraw/zinc/20/24/87/648202487.db2.gz VGEDRSSSELCVPP-GJZGRUSLSA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925531145 648203154 /nfs/dbraw/zinc/20/31/54/648203154.db2.gz XOJXLRZIQOTIMP-OWCLPIDISA-N 2 0 280.456 2.831 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1cccnc1)c1ccccc1 ZINC000925535170 648204786 /nfs/dbraw/zinc/20/47/86/648204786.db2.gz CNGPQILLGRCGNW-KRWDZBQOSA-N 2 0 269.392 2.694 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCC2)C12CCC2 ZINC000925536985 648205333 /nfs/dbraw/zinc/20/53/33/648205333.db2.gz HJXRGQHVKKQAQL-CVEARBPZSA-N 2 0 270.420 2.968 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCC2)C12CCC2 ZINC000925536986 648205517 /nfs/dbraw/zinc/20/55/17/648205517.db2.gz HJXRGQHVKKQAQL-HOTGVXAUSA-N 2 0 270.420 2.968 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925541825 648208140 /nfs/dbraw/zinc/20/81/40/648208140.db2.gz KGMSFAQLVGXXNH-AHWCTLNISA-N 2 0 280.481 2.637 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)c[nH]c2c1 ZINC000925544915 648210433 /nfs/dbraw/zinc/21/04/33/648210433.db2.gz BNNQHJDYSFEZDV-DLBZAZTESA-N 2 0 283.419 2.878 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925546510 648210564 /nfs/dbraw/zinc/21/05/64/648210564.db2.gz OBPICOBEAIRTSK-CVYDXHPNSA-N 2 0 289.467 2.927 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548138 648211739 /nfs/dbraw/zinc/21/17/39/648211739.db2.gz RDMGDFFFIOGRSE-GDBMZVCRSA-N 2 0 289.423 2.641 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925551574 648212824 /nfs/dbraw/zinc/21/28/24/648212824.db2.gz HXFOBZCYEIEDOY-COMQUAJESA-N 2 0 268.470 2.638 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCCS1 ZINC000925551525 648212911 /nfs/dbraw/zinc/21/29/11/648212911.db2.gz GQPJUENLYLUMMV-QWHCGFSZSA-N 2 0 254.443 2.536 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000925552817 648213329 /nfs/dbraw/zinc/21/33/29/648213329.db2.gz KWYYYCWBNYKAPG-HOTGVXAUSA-N 2 0 298.434 2.868 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925552102 648213822 /nfs/dbraw/zinc/21/38/22/648213822.db2.gz GXDVHPNPHUJSOP-HZPDHXFCSA-N 2 0 279.472 2.515 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925554852 648214686 /nfs/dbraw/zinc/21/46/86/648214686.db2.gz DJGAUBXNVOHOFH-OFLIJSTPSA-N 2 0 292.467 2.533 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCC1 ZINC000925554928 648214695 /nfs/dbraw/zinc/21/46/95/648214695.db2.gz FHBXSLPSKQOASI-SMLCLMEVSA-N 2 0 292.467 2.559 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925558314 648215863 /nfs/dbraw/zinc/21/58/63/648215863.db2.gz QLPSQEDVLVDMCO-JKSUJKDBSA-N 2 0 273.424 2.502 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)sc1C ZINC000925562462 648218440 /nfs/dbraw/zinc/21/84/40/648218440.db2.gz WYELEOCPQXJBHV-OLZOCXBDSA-N 2 0 281.469 2.798 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C12CCC2 ZINC000925566182 648219697 /nfs/dbraw/zinc/21/96/97/648219697.db2.gz FREDWMWVKZUTMQ-HUUCEWRRSA-N 2 0 262.372 2.618 20 0 CFADRP CC[C@H](C)N(C)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925576879 648224450 /nfs/dbraw/zinc/22/44/50/648224450.db2.gz KWMDDHSXEHLAAT-DOTOQJQBSA-N 2 0 277.456 2.787 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925578457 648225316 /nfs/dbraw/zinc/22/53/16/648225316.db2.gz FCPDGUIBCVIQRU-JKSUJKDBSA-N 2 0 274.408 2.623 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925578832 648225500 /nfs/dbraw/zinc/22/55/00/648225500.db2.gz YVMRXHKJMYICJX-YDRHNJASSA-N 2 0 282.431 2.613 20 0 CFADRP CC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925581343 648226802 /nfs/dbraw/zinc/22/68/02/648226802.db2.gz XKWMJNBLFDZOGY-CABCVRRESA-N 2 0 250.430 2.935 20 0 CFADRP OCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCCC1 ZINC000925581413 648226876 /nfs/dbraw/zinc/22/68/76/648226876.db2.gz ZDXWZBOAEHOIKY-IAGOWNOFSA-N 2 0 294.483 2.687 20 0 CFADRP CCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925581088 648226896 /nfs/dbraw/zinc/22/68/96/648226896.db2.gz WEHOVPOHWJWZQZ-GJZGRUSLSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCOc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925583756 648227377 /nfs/dbraw/zinc/22/73/77/648227377.db2.gz MTMUUYRHYXUFKD-PMPSAXMXSA-N 2 0 292.398 2.571 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000925585025 648227787 /nfs/dbraw/zinc/22/77/87/648227787.db2.gz RISBCHNAORFRKU-ZIAGYGMSSA-N 2 0 280.387 2.700 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C12CCC2 ZINC000925594713 648231415 /nfs/dbraw/zinc/23/14/15/648231415.db2.gz QMRJQTLVWDZVHA-KFWWJZLASA-N 2 0 260.356 2.673 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000925598503 648234095 /nfs/dbraw/zinc/23/40/95/648234095.db2.gz RVRUJHDEMFXDND-SUMWQHHRSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925604146 648236670 /nfs/dbraw/zinc/23/66/70/648236670.db2.gz IHHOVBADICZMOV-OWSLCNJRSA-N 2 0 294.483 2.805 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000925609225 648239044 /nfs/dbraw/zinc/23/90/44/648239044.db2.gz QXTUOKWYBCSSRC-LALPHHSUSA-N 2 0 274.408 2.875 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925614124 648240510 /nfs/dbraw/zinc/24/05/10/648240510.db2.gz AQGYUEIKKQNUPL-DLBZAZTESA-N 2 0 293.499 2.619 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CCCN[C@H]2C)c1 ZINC000925621331 648244367 /nfs/dbraw/zinc/24/43/67/648244367.db2.gz HCINDQMICOHLQI-XJKSGUPXSA-N 2 0 276.424 2.703 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)o1 ZINC000925623843 648244895 /nfs/dbraw/zinc/24/48/95/648244895.db2.gz UBGWAZDECUPRHF-GLQYFDAESA-N 2 0 262.397 2.769 20 0 CFADRP CCC(CC)(CO)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925622573 648245101 /nfs/dbraw/zinc/24/51/01/648245101.db2.gz QWWWFVFAOVURRT-UHFFFAOYSA-N 2 0 284.488 2.885 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925624301 648245109 /nfs/dbraw/zinc/24/51/09/648245109.db2.gz ZIAQHFLRKGCSPO-ROUUACIJSA-N 2 0 293.499 2.617 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc2n1 ZINC000925622374 648245503 /nfs/dbraw/zinc/24/55/03/648245503.db2.gz KULYZPUYJFGASM-HZPDHXFCSA-N 2 0 297.402 2.603 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)ncn1 ZINC000925627788 648247576 /nfs/dbraw/zinc/24/75/76/648247576.db2.gz DZIPXUSTWFISDH-CQSZACIVSA-N 2 0 284.407 2.697 20 0 CFADRP CC1(C)[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925629651 648248728 /nfs/dbraw/zinc/24/87/28/648248728.db2.gz LRVUTFZCBCNCFZ-OUAUKWLOSA-N 2 0 296.402 2.648 20 0 CFADRP CCCCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(C)n1 ZINC000925630828 648250033 /nfs/dbraw/zinc/25/00/33/648250033.db2.gz QNPVNRATNYJSTO-CVEARBPZSA-N 2 0 292.471 2.987 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)c21 ZINC000925630107 648250086 /nfs/dbraw/zinc/25/00/86/648250086.db2.gz QXPVWXQXNJKUHX-HOTGVXAUSA-N 2 0 299.418 2.579 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925630598 648250240 /nfs/dbraw/zinc/25/02/40/648250240.db2.gz PVEQMNMWXAPTOB-JKSUJKDBSA-N 2 0 270.420 2.651 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925634803 648253739 /nfs/dbraw/zinc/25/37/39/648253739.db2.gz PTEHJLSYAPMLPL-HOTGVXAUSA-N 2 0 273.424 2.738 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2COC3(CCCCC3)O2)C1 ZINC000925637300 648254562 /nfs/dbraw/zinc/25/45/62/648254562.db2.gz ZBACXUJLUGZBGN-RBSFLKMASA-N 2 0 296.455 2.558 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925637443 648254585 /nfs/dbraw/zinc/25/45/85/648254585.db2.gz LFMYGNFFPSUNKG-RBSFLKMASA-N 2 0 294.439 2.723 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)C12CCC2 ZINC000925637027 648255233 /nfs/dbraw/zinc/25/52/33/648255233.db2.gz GTCFCXVMRQKOQV-VXGBXAGGSA-N 2 0 284.325 2.506 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925636525 648255337 /nfs/dbraw/zinc/25/53/37/648255337.db2.gz CKNIHYZRKGMBCU-TUVASFSCSA-N 2 0 268.445 2.687 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C[C@@H]1CCCCO1 ZINC000925638991 648255629 /nfs/dbraw/zinc/25/56/29/648255629.db2.gz ICICEMXKFLLTAZ-GJZGRUSLSA-N 2 0 266.429 2.600 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccccc1 ZINC000925646206 648259617 /nfs/dbraw/zinc/25/96/17/648259617.db2.gz WMOQOYOGUIRZRU-OALUTQOASA-N 2 0 298.430 2.660 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646277 648260477 /nfs/dbraw/zinc/26/04/77/648260477.db2.gz XPEBYGQQOONJHN-GARJFASQSA-N 2 0 264.335 2.823 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925650470 648261688 /nfs/dbraw/zinc/26/16/88/648261688.db2.gz OTKCCMKNBIXOLC-JIMTYQMOSA-N 2 0 276.346 2.694 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925650469 648261767 /nfs/dbraw/zinc/26/17/67/648261767.db2.gz OTKCCMKNBIXOLC-HDLKOFKZSA-N 2 0 276.346 2.694 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C12CCC2 ZINC000925652049 648263011 /nfs/dbraw/zinc/26/30/11/648263011.db2.gz BHLBLULMCYVSBP-QCEMKRCNSA-N 2 0 274.383 2.931 20 0 CFADRP C[C@@H]1CC(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@@H](C)O1 ZINC000925655157 648264310 /nfs/dbraw/zinc/26/43/10/648264310.db2.gz QJKDFEYRGQXNMM-QHSBEEBCSA-N 2 0 268.445 2.686 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3ncccc3c2)C12CCC2 ZINC000925662917 648268663 /nfs/dbraw/zinc/26/86/63/648268663.db2.gz MFTKVRTWZCMFSC-HZPDHXFCSA-N 2 0 267.376 2.594 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925667329 648270906 /nfs/dbraw/zinc/27/09/06/648270906.db2.gz QGXAEXSRXJNUTE-MCIONIFRSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670668 648272001 /nfs/dbraw/zinc/27/20/01/648272001.db2.gz NEUXRXMPHMTPCX-PVAVHDDUSA-N 2 0 299.462 2.870 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925670827 648272266 /nfs/dbraw/zinc/27/22/66/648272266.db2.gz OJZXWWMWYSCIRF-KSZLIROESA-N 2 0 293.499 2.619 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925672481 648272928 /nfs/dbraw/zinc/27/29/28/648272928.db2.gz JEUFTNSDHZJINU-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C2 ZINC000925675503 648275433 /nfs/dbraw/zinc/27/54/33/648275433.db2.gz IGJLTXPWGQTUBM-BZUAXINKSA-N 2 0 288.435 2.794 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925676129 648275916 /nfs/dbraw/zinc/27/59/16/648275916.db2.gz YZLOJOXHPUPACE-WBVHZDCISA-N 2 0 288.435 2.856 20 0 CFADRP COCC1(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925678712 648276427 /nfs/dbraw/zinc/27/64/27/648276427.db2.gz WXOWVMIJYLEEMY-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925678904 648276503 /nfs/dbraw/zinc/27/65/03/648276503.db2.gz AJAOLNGPJLCQSU-ZFWWWQNUSA-N 2 0 264.413 2.606 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925685844 648279358 /nfs/dbraw/zinc/27/93/58/648279358.db2.gz OWSUVPZSWNLQNX-SJORKVTESA-N 2 0 293.499 2.619 20 0 CFADRP COCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925693708 648282328 /nfs/dbraw/zinc/28/23/28/648282328.db2.gz RDZUOTXAPKBBAG-ILXRZTDVSA-N 2 0 280.456 2.559 20 0 CFADRP COCC1CCC([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925695052 648283544 /nfs/dbraw/zinc/28/35/44/648283544.db2.gz YDNCLUDVDLLTGC-NCOXYXGASA-N 2 0 280.456 2.558 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925694941 648283907 /nfs/dbraw/zinc/28/39/07/648283907.db2.gz VLURYGMHSKKAIZ-DLBZAZTESA-N 2 0 273.424 2.648 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)C1 ZINC000925704744 648287563 /nfs/dbraw/zinc/28/75/63/648287563.db2.gz DVRPUZAMDBTCAL-IIAWOOMASA-N 2 0 273.424 2.752 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)C[C@@H]([NH3+])C1 ZINC000925706083 648288428 /nfs/dbraw/zinc/28/84/28/648288428.db2.gz FDNCFQJXTDPJQC-KOZAUXTDSA-N 2 0 274.408 2.660 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1(F)F ZINC000925706512 648288576 /nfs/dbraw/zinc/28/85/76/648288576.db2.gz KSVSNVUDXTZGFE-RHYQMDGZSA-N 2 0 272.383 2.644 20 0 CFADRP C[C@H]([NH3+])[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000925710359 648290780 /nfs/dbraw/zinc/29/07/80/648290780.db2.gz WUZZDZPZOXIDPI-BPUTZDHNSA-N 2 0 275.440 2.537 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925711590 648291399 /nfs/dbraw/zinc/29/13/99/648291399.db2.gz NEQXUIASZNGJLO-BJKJVOPESA-N 2 0 256.393 2.574 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925715456 648293969 /nfs/dbraw/zinc/29/39/69/648293969.db2.gz DNBYWUYAAXGKOX-OLZOCXBDSA-N 2 0 280.387 2.830 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccccc1 ZINC000925716611 648294581 /nfs/dbraw/zinc/29/45/81/648294581.db2.gz FGLNECSBYRZDRX-IKGGRYGDSA-N 2 0 274.408 2.624 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCc2ccco2)C[C@@H]([NH3+])C1 ZINC000925716403 648295178 /nfs/dbraw/zinc/29/51/78/648295178.db2.gz QCWQGHIMGQHDNE-OLZOCXBDSA-N 2 0 250.386 2.708 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925722610 648297721 /nfs/dbraw/zinc/29/77/21/648297721.db2.gz MLJOAPRWVHDPOJ-IAGOWNOFSA-N 3 0 295.515 2.993 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000925725295 648299066 /nfs/dbraw/zinc/29/90/66/648299066.db2.gz IUKCINITDMSZLU-QJYBKRKXSA-N 2 0 285.435 2.691 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000925726232 648300184 /nfs/dbraw/zinc/30/01/84/648300184.db2.gz GVSDRTWBUQIOKY-BZZMCLGOSA-N 3 0 287.451 2.587 20 0 CFADRP FC(F)(F)CCSCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925731845 648302058 /nfs/dbraw/zinc/30/20/58/648302058.db2.gz DDSPUZWTFHLUPB-LLVKDONJSA-N 2 0 296.402 2.936 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925733394 648302255 /nfs/dbraw/zinc/30/22/55/648302255.db2.gz ICLAAEAYAAASKZ-GJZGRUSLSA-N 2 0 298.471 2.724 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925735552 648303031 /nfs/dbraw/zinc/30/30/31/648303031.db2.gz WAOLRHZIWXTVJD-FDYHWXHSSA-N 2 0 276.346 2.695 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925738561 648304338 /nfs/dbraw/zinc/30/43/38/648304338.db2.gz YXZQGRKMHZZGPI-AAVRWANBSA-N 2 0 272.383 2.790 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1Cl ZINC000925739166 648304524 /nfs/dbraw/zinc/30/45/24/648304524.db2.gz UMICUXLCTGRJBX-VIFPVBQESA-N 2 0 271.792 2.522 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CCC(C)(C)[NH3+])C2CC2)c1 ZINC000925739630 648305537 /nfs/dbraw/zinc/30/55/37/648305537.db2.gz BGCGCSKLTRBCBV-INIZCTEOSA-N 2 0 276.424 2.733 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(-n2cccn2)cc1 ZINC000925741844 648305725 /nfs/dbraw/zinc/30/57/25/648305725.db2.gz UNRJQVQPZJPXFR-CYBMUJFWSA-N 2 0 272.396 2.650 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000925740030 648305919 /nfs/dbraw/zinc/30/59/19/648305919.db2.gz GLCPHFHTNAHWCN-CQSZACIVSA-N 2 0 250.361 2.994 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742649 648306312 /nfs/dbraw/zinc/30/63/12/648306312.db2.gz WFPMDYRTXUDLLA-CHWSQXEVSA-N 2 0 256.434 2.543 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000925760328 648311790 /nfs/dbraw/zinc/31/17/90/648311790.db2.gz PKUUQMVVLWOKJH-GOEBONIOSA-N 2 0 276.424 2.966 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925775135 648317196 /nfs/dbraw/zinc/31/71/96/648317196.db2.gz OJZKBPQPLAILOM-GJZGRUSLSA-N 2 0 294.414 2.872 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925775137 648317686 /nfs/dbraw/zinc/31/76/86/648317686.db2.gz OJZKBPQPLAILOM-LSDHHAIUSA-N 2 0 294.414 2.872 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000925776367 648318504 /nfs/dbraw/zinc/31/85/04/648318504.db2.gz XMQHMCPBLWHNRG-HUUCEWRRSA-N 2 0 280.387 2.626 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775959 648318971 /nfs/dbraw/zinc/31/89/71/648318971.db2.gz IOVLBWWDHMHNAY-UTUOFQBUSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779063 648319991 /nfs/dbraw/zinc/31/99/91/648319991.db2.gz WBOPTOZFXLEUPE-DZGCQCFKSA-N 2 0 297.393 2.627 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000925784590 648322145 /nfs/dbraw/zinc/32/21/45/648322145.db2.gz JHHPCRMMPYRUSG-GMXABZIVSA-N 2 0 264.800 2.772 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000925783330 648322499 /nfs/dbraw/zinc/32/24/99/648322499.db2.gz FHCYDTJIWNWKMX-FFSVYQOJSA-N 2 0 262.372 2.648 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925786834 648322728 /nfs/dbraw/zinc/32/27/28/648322728.db2.gz VTNGYCJMDLCLOD-HYVNUMGLSA-N 2 0 290.451 2.707 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CCS2 ZINC000925786832 648323259 /nfs/dbraw/zinc/32/32/59/648323259.db2.gz VQLQAEVZXYZKKP-TYNCELHUSA-N 2 0 292.448 2.677 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000925790607 648324328 /nfs/dbraw/zinc/32/43/28/648324328.db2.gz JHDPSFYUVPGYLQ-MDZLAQPJSA-N 2 0 252.789 2.846 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925791820 648325822 /nfs/dbraw/zinc/32/58/22/648325822.db2.gz SMHMIGPAKVAXSC-BZPMIXESSA-N 2 0 264.438 2.915 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925793660 648325829 /nfs/dbraw/zinc/32/58/29/648325829.db2.gz ZXDNERXUYNASOG-MCIONIFRSA-N 2 0 262.397 2.510 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000925798636 648326329 /nfs/dbraw/zinc/32/63/29/648326329.db2.gz MBMAXIMHZHUNRB-KFNAQCHYSA-N 2 0 262.372 2.648 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925797500 648326672 /nfs/dbraw/zinc/32/66/72/648326672.db2.gz HRTODRJBQSDVGO-UMVBOHGHSA-N 2 0 292.423 2.600 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796794 648326863 /nfs/dbraw/zinc/32/68/63/648326863.db2.gz FGNYDPHLJXMHIC-VNHYZAJKSA-N 2 0 262.397 2.591 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801109 648327503 /nfs/dbraw/zinc/32/75/03/648327503.db2.gz UHPAFBXONXNWJH-QLFBSQMISA-N 2 0 276.424 2.982 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000925800450 648327510 /nfs/dbraw/zinc/32/75/10/648327510.db2.gz RSQUNRAUYJQOBF-YRGRVCCFSA-N 2 0 280.387 2.731 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000925804055 648328032 /nfs/dbraw/zinc/32/80/32/648328032.db2.gz YSKTXYDVPDLHEO-XPKDYRNWSA-N 2 0 296.842 2.863 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2(c3ccccc3)CC2)C12CCC2 ZINC000925805259 648328730 /nfs/dbraw/zinc/32/87/30/648328730.db2.gz RNXDXEDLONYSJL-CVEARBPZSA-N 2 0 270.420 2.968 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805063 648329130 /nfs/dbraw/zinc/32/91/30/648329130.db2.gz PZBZXBKMNBADLO-OAHLLOKOSA-N 2 0 258.409 2.838 20 0 CFADRP C[C@@H]([NH2+]CCC1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925805019 648329324 /nfs/dbraw/zinc/32/93/24/648329324.db2.gz PIHVJOOBLYNNSZ-ZBFHGGJFSA-N 2 0 258.409 2.838 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000925807117 648329785 /nfs/dbraw/zinc/32/97/85/648329785.db2.gz INEGAVYCKYRQQO-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cnccc1N ZINC000925808426 648329843 /nfs/dbraw/zinc/32/98/43/648329843.db2.gz NYTVGQCUNIPJPU-AWEZNQCLSA-N 2 0 290.455 2.705 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925807416 648330012 /nfs/dbraw/zinc/33/00/12/648330012.db2.gz APJWYEFULCZKAS-ZKHDCCDFSA-N 2 0 297.402 2.546 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807053 648330165 /nfs/dbraw/zinc/33/01/65/648330165.db2.gz HVEHCXZQGNFKGQ-WBVHZDCISA-N 3 0 281.488 2.524 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925807375 648330361 /nfs/dbraw/zinc/33/03/61/648330361.db2.gz AGAUQSBRWAHUGW-GFCCVEGCSA-N 2 0 273.380 2.548 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NCCc1ccc2ncccc2c1 ZINC000925812094 648330604 /nfs/dbraw/zinc/33/06/04/648330604.db2.gz GTHDCPYAAIPTDI-MRXNPFEDSA-N 2 0 269.392 2.507 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925809374 648331184 /nfs/dbraw/zinc/33/11/84/648331184.db2.gz UJLVUYFKODQZGC-GDBMZVCRSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2nc3c(s2)CCC3)c2ccccc21 ZINC000925829130 648336592 /nfs/dbraw/zinc/33/65/92/648336592.db2.gz BRPKNYDCHWFXIM-ZFWWWQNUSA-N 2 0 299.443 2.909 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000925837512 648339361 /nfs/dbraw/zinc/33/93/61/648339361.db2.gz GGKOUVXZRLXIRU-DOMZBBRYSA-N 2 0 287.407 2.656 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925840249 648340318 /nfs/dbraw/zinc/34/03/18/648340318.db2.gz UVYJDRNPRBAKIY-HZSPNIEDSA-N 2 0 280.362 2.765 20 0 CFADRP FC1(F)[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000925838469 648340383 /nfs/dbraw/zinc/34/03/83/648340383.db2.gz MEFRSAJWCATYNZ-KKUMJFAQSA-N 2 0 280.362 2.767 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844661 648341949 /nfs/dbraw/zinc/34/19/49/648341949.db2.gz ZJXWRBJBJCNFSR-NUEKZKHPSA-N 2 0 262.397 2.723 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)nc1 ZINC000925845538 648343078 /nfs/dbraw/zinc/34/30/78/648343078.db2.gz LKDQAHDKUKTAJC-UXIGCNINSA-N 2 0 279.815 2.918 20 0 CFADRP CC1(C)CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925845236 648343288 /nfs/dbraw/zinc/34/32/88/648343288.db2.gz OOPLBSMCMSFLQR-INIZCTEOSA-N 2 0 281.488 2.620 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925861137 648347979 /nfs/dbraw/zinc/34/79/79/648347979.db2.gz MWFYQEZLQGEANS-GMRIPVOYSA-N 3 0 279.472 2.514 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925860743 648348078 /nfs/dbraw/zinc/34/80/78/648348078.db2.gz KLPZSWWZZLIADE-CGZBRXJRSA-N 3 0 291.483 2.658 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000925861468 648348278 /nfs/dbraw/zinc/34/82/78/648348278.db2.gz QDKXIPUOZUUODG-BFHYXJOUSA-N 2 0 268.470 2.782 20 0 CFADRP Cn1nc(C2CC2)cc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925874328 648352118 /nfs/dbraw/zinc/35/21/18/648352118.db2.gz RBMYAKSSMKQWTM-RDJZCZTQSA-N 2 0 282.391 2.532 20 0 CFADRP Cn1nc(C2CC2)cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925874922 648352387 /nfs/dbraw/zinc/35/23/87/648352387.db2.gz XHVRSYJLDNHDPK-KRWDZBQOSA-N 2 0 298.434 2.867 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1N(C)C ZINC000925882664 648354350 /nfs/dbraw/zinc/35/43/50/648354350.db2.gz PBQVHWKYIFKKRC-MCIONIFRSA-N 2 0 261.413 2.531 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)[C@@H]1OC ZINC000925882995 648354434 /nfs/dbraw/zinc/35/44/34/648354434.db2.gz QVEUDQGORZCZTO-QMIVOQANSA-N 2 0 268.445 2.543 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883756 648355118 /nfs/dbraw/zinc/35/51/18/648355118.db2.gz XEZSFAWILDTDFR-KYOSRNDESA-N 2 0 266.816 2.988 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000925883883 648355402 /nfs/dbraw/zinc/35/54/02/648355402.db2.gz YQSHFLUMRICZPU-YFKTTZPYSA-N 2 0 264.335 2.825 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccoc1 ZINC000925888275 648356892 /nfs/dbraw/zinc/35/68/92/648356892.db2.gz SJICSUKKQQTEEO-XYPHTWIQSA-N 2 0 270.376 2.989 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000926113275 648407230 /nfs/dbraw/zinc/40/72/30/648407230.db2.gz DHEZNEOXZCAXKY-JKSUJKDBSA-N 2 0 282.472 2.639 20 0 CFADRP COC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000926113623 648407667 /nfs/dbraw/zinc/40/76/67/648407667.db2.gz COMCIQNJAIQELH-AWEZNQCLSA-N 2 0 276.424 2.968 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000926115610 648408379 /nfs/dbraw/zinc/40/83/79/648408379.db2.gz VTUAIJLZZIBCOE-INIZCTEOSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926126029 648410847 /nfs/dbraw/zinc/41/08/47/648410847.db2.gz ONABHJVRFHIYOD-IHRRRGAJSA-N 2 0 264.413 2.558 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308129 648458739 /nfs/dbraw/zinc/45/87/39/648458739.db2.gz LZESFRKEWYHIAW-LXZKKBNFSA-N 2 0 260.425 2.805 20 0 CFADRP COc1ccnc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000926310859 648460005 /nfs/dbraw/zinc/46/00/05/648460005.db2.gz WIHAXXJTUIZOPX-CYBMUJFWSA-N 2 0 289.423 2.615 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000926322167 648462814 /nfs/dbraw/zinc/46/28/14/648462814.db2.gz DRNVEUSIQHQWRL-GDBMZVCRSA-N 2 0 275.440 2.723 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000926339040 648466681 /nfs/dbraw/zinc/46/66/81/648466681.db2.gz ZGMSFJSQFWFGRD-QGZVFWFLSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1(C)C ZINC000926358143 648471433 /nfs/dbraw/zinc/47/14/33/648471433.db2.gz VHBYSJSNNWFLDF-CVEARBPZSA-N 2 0 295.515 2.817 20 0 CFADRP CSC1(C[NH2+][C@H]2CC3CCC2CC3)CC[NH+](C)CC1 ZINC000926448965 648491052 /nfs/dbraw/zinc/49/10/52/648491052.db2.gz QAYPMJKFVVTVPP-NRXISQOPSA-N 2 0 282.497 2.982 20 0 CFADRP C(CC[NH2+][C@H]1CCCN2CCCC[C@@H]12)CC[NH+]1CCCC1 ZINC000926486468 648505703 /nfs/dbraw/zinc/50/57/03/648505703.db2.gz HBUPCAVGRKKIBF-ROUUACIJSA-N 3 0 293.499 2.859 20 0 CFADRP Cc1nccnc1CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926489585 648506970 /nfs/dbraw/zinc/50/69/70/648506970.db2.gz IRPJHBMSQHHSDG-AWEZNQCLSA-N 2 0 298.434 2.740 20 0 CFADRP CC[C@@](C)(C[NH2+]C1CC[NH+](CCC(C)C)CC1)OC ZINC000926520726 648517782 /nfs/dbraw/zinc/51/77/82/648517782.db2.gz QOXHRTYYRGITHY-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP CO[C@H]([C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926538077 648524142 /nfs/dbraw/zinc/52/41/42/648524142.db2.gz BNMDRYUVENHKGC-WMLDXEAASA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000926573497 648539089 /nfs/dbraw/zinc/53/90/89/648539089.db2.gz MIGUXOAPSSFRQD-KRWDZBQOSA-N 3 0 295.515 2.818 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC000926604467 648550466 /nfs/dbraw/zinc/55/04/66/648550466.db2.gz OJPDQGTVBCHPTG-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926644863 648560172 /nfs/dbraw/zinc/56/01/72/648560172.db2.gz KTFKFHMINNKCHR-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926646057 648560760 /nfs/dbraw/zinc/56/07/60/648560760.db2.gz UNUUEXZHGLELHM-IRXDYDNUSA-N 2 0 284.488 2.885 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(C[NH+](C)C)c1 ZINC000926648746 648562350 /nfs/dbraw/zinc/56/23/50/648562350.db2.gz YDGRUIZNSBSKEZ-YYQUZTFQSA-N 2 0 274.408 2.719 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926666096 648566945 /nfs/dbraw/zinc/56/69/45/648566945.db2.gz PSJGWLIUXSIBCQ-UHIISALHSA-N 2 0 279.815 2.652 20 0 CFADRP C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926678927 648572547 /nfs/dbraw/zinc/57/25/47/648572547.db2.gz WLNIQLHCCFABDV-BBRMVZONSA-N 2 0 276.424 2.966 20 0 CFADRP CCC[N@@H+]1CC[C@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000926716099 648588286 /nfs/dbraw/zinc/58/82/86/648588286.db2.gz RPIUQZZLSXKNIG-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cc[nH]c(=O)c1 ZINC000926730957 648594796 /nfs/dbraw/zinc/59/47/96/648594796.db2.gz FDRXXLDZLMCQRE-ZDUSSCGKSA-N 2 0 289.423 2.560 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926733622 648595395 /nfs/dbraw/zinc/59/53/95/648595395.db2.gz WDGFRXAMNMVCDJ-ZWKOTPCHSA-N 2 0 294.483 2.759 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000926744711 648599767 /nfs/dbraw/zinc/59/97/67/648599767.db2.gz JWQBATFRZPURFM-XJKSGUPXSA-N 2 0 289.423 2.845 20 0 CFADRP C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccns1 ZINC000926755777 648603478 /nfs/dbraw/zinc/60/34/78/648603478.db2.gz ZTXXWQJRTHZVMW-NEPJUHHUSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000926761716 648606277 /nfs/dbraw/zinc/60/62/77/648606277.db2.gz FEIXKTOTDKZYJO-PBHICJAKSA-N 2 0 273.424 2.619 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000926791123 648616657 /nfs/dbraw/zinc/61/66/57/648616657.db2.gz NUMQSKWSHVJLLX-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926796481 648619581 /nfs/dbraw/zinc/61/95/81/648619581.db2.gz KLTUPZDDBZSEHF-QLOLRVAOSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000926947458 648667554 /nfs/dbraw/zinc/66/75/54/648667554.db2.gz DFVAHKWMBNBYJF-ZMLRMANQSA-N 2 0 264.335 2.505 20 0 CFADRP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000926960880 648672148 /nfs/dbraw/zinc/67/21/48/648672148.db2.gz RCDUORQAFVXXBG-UXLLHSPISA-N 2 0 273.424 2.661 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCOC1 ZINC000927040249 648690688 /nfs/dbraw/zinc/69/06/88/648690688.db2.gz ZQDBYFNEJGZHPX-GYXIZQIFSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000929283112 649022514 /nfs/dbraw/zinc/02/25/14/649022514.db2.gz NFOHTAVMVWKNNP-UHFFFAOYSA-N 2 0 264.388 2.642 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCOC2CC2)CC1 ZINC000929295882 649026427 /nfs/dbraw/zinc/02/64/27/649026427.db2.gz JNNJNFXEUJJBBQ-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP COC[C@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000929507498 649062991 /nfs/dbraw/zinc/06/29/91/649062991.db2.gz YFFMAQSUOIENRC-KRWDZBQOSA-N 2 0 284.488 2.957 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2ccns2)CC1 ZINC000929507518 649063059 /nfs/dbraw/zinc/06/30/59/649063059.db2.gz YURQQSPWSDSDGN-UHFFFAOYSA-N 2 0 281.469 2.738 20 0 CFADRP C[N@H+](CCOC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753555 649111596 /nfs/dbraw/zinc/11/15/96/649111596.db2.gz BSTHYSGZLKQWCC-KRWDZBQOSA-N 2 0 288.435 2.619 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000929764427 649115330 /nfs/dbraw/zinc/11/53/30/649115330.db2.gz UGLCJMQHMOPLKH-XHSDSOJGSA-N 2 0 250.430 2.696 20 0 CFADRP CC1CC(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000929762610 649115870 /nfs/dbraw/zinc/11/58/70/649115870.db2.gz GUJRICCRMAJKBA-OGVSOVDVSA-N 2 0 250.430 2.696 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000929777321 649118910 /nfs/dbraw/zinc/11/89/10/649118910.db2.gz BOCYHLZUURJZBA-TWMKSMIVSA-N 2 0 282.472 2.854 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccncc3)CC[C@H]21 ZINC000929842840 649136852 /nfs/dbraw/zinc/13/68/52/649136852.db2.gz DIWAKBNEINKKOQ-GOEBONIOSA-N 2 0 291.464 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2cccnc2)[C@H](C)C1 ZINC000929998477 649162805 /nfs/dbraw/zinc/16/28/05/649162805.db2.gz FGQNVBBULWKKAH-WBVHZDCISA-N 2 0 275.440 2.676 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000929998016 649162927 /nfs/dbraw/zinc/16/29/27/649162927.db2.gz ALWGVWCUQASJST-SIRPWMCASA-N 2 0 282.472 2.852 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000930045633 649172908 /nfs/dbraw/zinc/17/29/08/649172908.db2.gz STIVUEUCMZURTF-SJORKVTESA-N 2 0 293.499 2.523 20 0 CFADRP C[N@H+](CCCC(C)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930458645 649253849 /nfs/dbraw/zinc/25/38/49/649253849.db2.gz BXAHNXMEJJACSC-FUNVUKJBSA-N 2 0 260.372 2.979 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC000930554972 649272741 /nfs/dbraw/zinc/27/27/41/649272741.db2.gz KYJLYLNTBNXDNL-QGZVFWFLSA-N 2 0 262.441 2.984 20 0 CFADRP CCN(CC[NH+]1CCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000931272789 649400635 /nfs/dbraw/zinc/40/06/35/649400635.db2.gz ZJHPYPXRAKAQEI-UHFFFAOYSA-N 2 0 289.467 2.666 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000931354122 649413638 /nfs/dbraw/zinc/41/36/38/649413638.db2.gz KCZXBWHFPOSXDD-AWEZNQCLSA-N 2 0 282.472 2.996 20 0 CFADRP CO[C@H](C[NH+]1CCC(C)([NH+](C)C)CC1)C1CCCC1 ZINC000931356427 649414654 /nfs/dbraw/zinc/41/46/54/649414654.db2.gz WWTSTRQQKAAQLG-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931438006 649427952 /nfs/dbraw/zinc/42/79/52/649427952.db2.gz XOJUFTKMRJPYOK-DLBZAZTESA-N 2 0 288.435 2.511 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](CCC2CCCCCC2)CC1 ZINC000931480918 649438795 /nfs/dbraw/zinc/43/87/95/649438795.db2.gz LXQGUPGLVSNRNF-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP Nc1ccnc2c1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000931518198 649446962 /nfs/dbraw/zinc/44/69/62/649446962.db2.gz NRSPJCHFLJJXFW-GJZGRUSLSA-N 2 0 279.387 2.826 20 0 CFADRP Cc1ccc(OCCN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000931726096 649480256 /nfs/dbraw/zinc/48/02/56/649480256.db2.gz IHZULLUTOAVAHX-JKSUJKDBSA-N 2 0 274.408 2.542 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932625881 649630854 /nfs/dbraw/zinc/63/08/54/649630854.db2.gz CKQFNYIFZPTUPW-CQSZACIVSA-N 2 0 254.393 2.685 20 0 CFADRP C(C[NH2+][C@@H]1CCOC12CCCC2)C[NH+]1CCCCC1 ZINC000934387134 649782598 /nfs/dbraw/zinc/78/25/98/649782598.db2.gz XXOATKRNHLAUBJ-OAHLLOKOSA-N 2 0 266.429 2.554 20 0 CFADRP Cc1cc(C)[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)c1 ZINC001155116357 782221209 /nfs/dbraw/zinc/22/12/09/782221209.db2.gz YKQSUELMCMWSMT-CQSZACIVSA-N 2 0 251.349 2.592 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000723672494 770646991 /nfs/dbraw/zinc/64/69/91/770646991.db2.gz OTYOOQOEUWTBSU-GFCCVEGCSA-N 2 0 268.401 2.589 20 0 CFADRP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723678479 770648226 /nfs/dbraw/zinc/64/82/26/770648226.db2.gz TYUJDRHPWCRHOY-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691109 770651122 /nfs/dbraw/zinc/65/11/22/770651122.db2.gz HRWHQOKRKYYOKA-WDEREUQCSA-N 2 0 254.324 2.697 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CC2(CN(c3c[nH+]cn3C)C2)C1 ZINC001277765649 777804526 /nfs/dbraw/zinc/80/45/26/777804526.db2.gz MRCGDQFXFGXJLQ-OAHLLOKOSA-N 2 0 290.455 2.759 20 0 CFADRP CC(C)(CO)C[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277968017 778558632 /nfs/dbraw/zinc/55/86/32/778558632.db2.gz PKKSNDINBFZQDY-IYBDPMFKSA-N 2 0 294.483 2.591 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@@H](C)C1 ZINC001235820691 778567306 /nfs/dbraw/zinc/56/73/06/778567306.db2.gz RGVPFYJVFRXTLE-HOTGVXAUSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c1 ZINC001235925217 778611546 /nfs/dbraw/zinc/61/15/46/778611546.db2.gz FTWBFGNLKRBDEZ-ZDUSSCGKSA-N 2 0 252.789 2.962 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(c3ccccc3)CC2)CC1 ZINC000702857992 780959029 /nfs/dbraw/zinc/95/90/29/780959029.db2.gz DWUINFHZXCPMLU-UHFFFAOYSA-N 2 0 258.409 2.650 20 0 CFADRP CCOC(=O)CCCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206767632 769867432 /nfs/dbraw/zinc/86/74/32/769867432.db2.gz CQVJIGFJQWYAMJ-LSDHHAIUSA-N 2 0 284.444 2.559 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OC)c1C ZINC001206772183 769901687 /nfs/dbraw/zinc/90/16/87/769901687.db2.gz YZTVRMQPJZRIEO-TZMCWYRMSA-N 2 0 292.423 2.571 20 0 CFADRP Cc1cc(OC(C)C)ncc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812561 770026084 /nfs/dbraw/zinc/02/60/84/770026084.db2.gz ZPHHBVVKCXGLQH-HUUCEWRRSA-N 2 0 291.439 2.736 20 0 CFADRP C[C@H]1CC(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)O1 ZINC001209390813 770049319 /nfs/dbraw/zinc/04/93/19/770049319.db2.gz OBTAYNWJSCKODM-GJZGRUSLSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000382328916 770209868 /nfs/dbraw/zinc/20/98/68/770209868.db2.gz XTVYEADGFJHEPJ-SLTXQBBLSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(Br)s1 ZINC000082773473 770331582 /nfs/dbraw/zinc/33/15/82/770331582.db2.gz MJBYFQVIPFYMNA-UHFFFAOYSA-N 2 0 277.231 2.728 20 0 CFADRP COc1c[nH+]ccc1Nc1cc[nH+]c(C(C)(C)C)c1 ZINC001211259874 770469653 /nfs/dbraw/zinc/46/96/53/770469653.db2.gz KMJMNDKMCUPZOI-UHFFFAOYSA-N 2 0 257.337 2.948 20 0 CFADRP COc1cc(F)c(F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001143393306 770564428 /nfs/dbraw/zinc/56/44/28/770564428.db2.gz JQRQWTBKYQUNNQ-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723617566 770619494 /nfs/dbraw/zinc/61/94/94/770619494.db2.gz CREMADMHGHYHPO-BFYDXBDKSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000723654921 770640773 /nfs/dbraw/zinc/64/07/73/770640773.db2.gz JOKCTNYSBBLHJZ-OAHLLOKOSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@@H](C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000403296314 770648329 /nfs/dbraw/zinc/64/83/29/770648329.db2.gz PCPQLRCIPLWVRV-JSGCOSHPSA-N 2 0 268.351 2.706 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000723679432 770648397 /nfs/dbraw/zinc/64/83/97/770648397.db2.gz DJIJFLSQGQEHDO-NSHDSACASA-N 2 0 277.393 2.574 20 0 CFADRP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723670726 770648462 /nfs/dbraw/zinc/64/84/62/770648462.db2.gz JDHLHTYWUOVYBL-GFCCVEGCSA-N 2 0 252.789 2.819 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723689934 770649768 /nfs/dbraw/zinc/64/97/68/770649768.db2.gz KDOWUOFXTQNIBC-DOMZBBRYSA-N 2 0 250.361 2.948 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000723690632 770650705 /nfs/dbraw/zinc/65/07/05/770650705.db2.gz UTOCBZUTWPRZLE-GFCCVEGCSA-N 2 0 273.355 2.545 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000723702204 770653341 /nfs/dbraw/zinc/65/33/41/770653341.db2.gz ZJGHNUWKHIBRLV-NSHDSACASA-N 2 0 288.313 2.756 20 0 CFADRP CS[C@@H]1CC[C@@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000707351553 770663164 /nfs/dbraw/zinc/66/31/64/770663164.db2.gz KBIUQWACCBCJRI-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(C)cc(C)n2)CC1 ZINC000723879988 770703902 /nfs/dbraw/zinc/70/39/02/770703902.db2.gz WLLWEVXPSOTOLH-UHFFFAOYSA-N 2 0 261.413 2.520 20 0 CFADRP CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000723886375 770706892 /nfs/dbraw/zinc/70/68/92/770706892.db2.gz KKVPSZQBNZHIOY-VXGBXAGGSA-N 2 0 267.442 2.512 20 0 CFADRP C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@H]1CC[NH3+] ZINC000723895675 770708822 /nfs/dbraw/zinc/70/88/22/770708822.db2.gz YNDPWZXAPGJXAM-HUUCEWRRSA-N 2 0 260.425 2.881 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900601 770708847 /nfs/dbraw/zinc/70/88/47/770708847.db2.gz KNXSAOQSJWKCEM-YRGRVCCFSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@H]1CC[NH3+] ZINC000723905543 770710102 /nfs/dbraw/zinc/71/01/02/770710102.db2.gz KVFBSATUUWIOMK-UNEWFSDZSA-N 2 0 258.409 2.981 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCCOC1 ZINC000723958153 770721573 /nfs/dbraw/zinc/72/15/73/770721573.db2.gz ZNWGFGGHQXJKKR-OSMBCOQSSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000723977457 770730235 /nfs/dbraw/zinc/73/02/35/770730235.db2.gz BHBSCBASXFFWAV-JQFCIGGWSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@H]1CCCC[NH2+]1 ZINC000403586074 770796168 /nfs/dbraw/zinc/79/61/68/770796168.db2.gz VWSALHXGELPIBK-APYLGABCSA-N 2 0 254.443 2.533 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cccc2C[NH3+])nc1 ZINC001167586933 770942393 /nfs/dbraw/zinc/94/23/93/770942393.db2.gz VDUGRWWNUSCZFB-CQSZACIVSA-N 2 0 284.407 2.705 20 0 CFADRP CC1(C)CC([NH3+])CC(C)(C)N1c1cccc2c1C[NH2+]CC2 ZINC001167624988 773196102 /nfs/dbraw/zinc/19/61/02/773196102.db2.gz KKQQJJUDSPLUOY-UHFFFAOYSA-N 2 0 287.451 2.817 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@H]2C1 ZINC001207350289 773216539 /nfs/dbraw/zinc/21/65/39/773216539.db2.gz JTPAVLZVTKXWAO-ZIAGYGMSSA-N 2 0 272.383 2.695 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224120040 775105266 /nfs/dbraw/zinc/10/52/66/775105266.db2.gz XRHLFCLHHWDMNK-HOCLYGCPSA-N 2 0 273.424 2.647 20 0 CFADRP C[C@H](C[NH+](C)C)O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001224136144 775108769 /nfs/dbraw/zinc/10/87/69/775108769.db2.gz ZZQOJVLAZLXKQA-GDBMZVCRSA-N 2 0 264.413 2.646 20 0 CFADRP [NH3+]Cc1cccc(C[N@@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)c1 ZINC001224262108 775141051 /nfs/dbraw/zinc/14/10/51/775141051.db2.gz ABAUKQUIZJRRQD-WMZOPIPTSA-N 2 0 293.414 2.786 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721547800 775150588 /nfs/dbraw/zinc/15/05/88/775150588.db2.gz BQKYWWBKLSWZKD-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C1(Br)CC1 ZINC000926562906 775265050 /nfs/dbraw/zinc/26/50/50/775265050.db2.gz BTTZSJGHHQATIZ-NSHDSACASA-N 2 0 289.261 2.766 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721585329 775280607 /nfs/dbraw/zinc/28/06/07/775280607.db2.gz GXEOISVHONRWLW-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)Cc1ccccc1N1CCC2(CC[N@H+](C)C2)CC1 ZINC001277004632 775292832 /nfs/dbraw/zinc/29/28/32/775292832.db2.gz ULCKAJZCFSPVPB-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001207398213 775352799 /nfs/dbraw/zinc/35/27/99/775352799.db2.gz AALSGXCJBYJDAL-INIZCTEOSA-N 2 0 273.424 2.603 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)CC1 ZINC001207398892 775356899 /nfs/dbraw/zinc/35/68/99/775356899.db2.gz UINBQGMCYZSPCJ-OAHLLOKOSA-N 2 0 268.420 2.932 20 0 CFADRP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708844726 775511542 /nfs/dbraw/zinc/51/15/42/775511542.db2.gz IDFGIDFSQCOYOU-WCQYABFASA-N 2 0 257.381 2.503 20 0 CFADRP Cc1ccc(-n2nc(C[NH3+])c3ccccc32)c(C[NH+](C)C)c1 ZINC001167701127 775535898 /nfs/dbraw/zinc/53/58/98/775535898.db2.gz LUVSXFVNZMAFNT-UHFFFAOYSA-N 2 0 294.402 2.854 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCOc2cccc(Cl)c2)CC1 ZINC000892641963 775537811 /nfs/dbraw/zinc/53/78/11/775537811.db2.gz HPBOFVQHJAOZLY-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP CCCC[NH+](CCCC)CCNc1cc(C[NH3+])ccn1 ZINC001167732334 775861198 /nfs/dbraw/zinc/86/11/98/775861198.db2.gz YDKISDCBVJWSFK-UHFFFAOYSA-N 2 0 278.444 2.854 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1(Cl)CC1)C[NH+]1CCCCC1 ZINC000695635890 775901326 /nfs/dbraw/zinc/90/13/26/775901326.db2.gz DGPQBTKPTCIOET-STQMWFEESA-N 2 0 258.837 2.858 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925570938 775946237 /nfs/dbraw/zinc/94/62/37/775946237.db2.gz ZHKVAXAPXCMBGQ-HUUCEWRRSA-N 2 0 293.480 2.834 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cccc(C[NH3+])c1 ZINC001167751659 776082351 /nfs/dbraw/zinc/08/23/51/776082351.db2.gz LMNKRJMJTCATOA-CQSZACIVSA-N 2 0 261.413 2.822 20 0 CFADRP [NH3+]CC1(F)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001222531967 776166457 /nfs/dbraw/zinc/16/64/57/776166457.db2.gz HKANMFLAZVWTLC-UHFFFAOYSA-N 2 0 256.752 2.603 20 0 CFADRP C[C@H]1C[N@H+](CC(C)(C)c2ccccc2)CC[C@H]1C[NH3+] ZINC000686664375 776237960 /nfs/dbraw/zinc/23/79/60/776237960.db2.gz RQDGYJATESDXCG-GJZGRUSLSA-N 2 0 260.425 2.881 20 0 CFADRP FC(F)(F)c1ccccc1CCCN1CCC[NH2+]CC1 ZINC001204654902 776451902 /nfs/dbraw/zinc/45/19/02/776451902.db2.gz COLCWULHVDKEAF-UHFFFAOYSA-N 2 0 286.341 2.933 20 0 CFADRP FC(F)(F)c1cccc(CCN2CCC[NH2+]CC2)c1 ZINC001204654967 776451924 /nfs/dbraw/zinc/45/19/24/776451924.db2.gz KTCFVVYCVXUGNY-UHFFFAOYSA-N 2 0 272.314 2.543 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c2ccccc21 ZINC000722327575 776473968 /nfs/dbraw/zinc/47/39/68/776473968.db2.gz CJDJXOQRLOCHEF-IEAZIUSSSA-N 2 0 272.392 2.678 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@H]1[NH3+] ZINC000399420226 776532821 /nfs/dbraw/zinc/53/28/21/776532821.db2.gz NFXUYZWGRXOJCS-GMTAPVOTSA-N 2 0 265.228 2.630 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC001167825448 776545303 /nfs/dbraw/zinc/54/53/03/776545303.db2.gz JEMNDERMOIJYHY-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204668456 776565269 /nfs/dbraw/zinc/56/52/69/776565269.db2.gz XITMKZICLGEVLS-UHFFFAOYSA-N 2 0 254.377 2.944 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@H]1CCCOC1 ZINC001167835630 776585224 /nfs/dbraw/zinc/58/52/24/776585224.db2.gz SCGLFOVNPAMDCU-GJZGRUSLSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(O)(CC)CC1 ZINC001167836630 776585389 /nfs/dbraw/zinc/58/53/89/776585389.db2.gz GDQRUWLJZKZLHN-HNNXBMFYSA-N 2 0 270.461 2.734 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC001167836237 776586736 /nfs/dbraw/zinc/58/67/36/776586736.db2.gz YGGIPUWHKWEELM-HZPDHXFCSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)n1nc(C)c(CC[NH2+]C)c1C ZINC001167837211 776587630 /nfs/dbraw/zinc/58/76/30/776587630.db2.gz JIRFXDIFEQOTOI-AWEZNQCLSA-N 2 0 294.487 2.945 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N2CC(F)C2)CC1 ZINC001167838216 776588999 /nfs/dbraw/zinc/58/89/99/776588999.db2.gz RWLVCDXGARYSRD-OAHLLOKOSA-N 2 0 299.478 2.615 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001167840398 776599349 /nfs/dbraw/zinc/59/93/49/776599349.db2.gz GCFFHQLNNYRGBW-ULQDDVLXSA-N 2 0 281.488 2.523 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167894045 776730634 /nfs/dbraw/zinc/73/06/34/776730634.db2.gz MTXSYSXQYJPVEE-WNRNVDISSA-N 2 0 270.420 2.897 20 0 CFADRP [NH2+]=C(Nc1ccc(C2=CCOCC2)cc1)SCC[NH3+] ZINC001167915333 776852287 /nfs/dbraw/zinc/85/22/87/776852287.db2.gz SVEIDENQVUKLHF-UHFFFAOYSA-N 2 0 277.393 2.529 20 0 CFADRP CC[NH+](CC)C[C@H](C)Oc1ccc(CC[NH+](C)C)cc1 ZINC001229656893 776867044 /nfs/dbraw/zinc/86/70/44/776867044.db2.gz BTEPRBMCFFOJJF-HNNXBMFYSA-N 2 0 278.440 2.900 20 0 CFADRP C[NH+](C)Cc1ccccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229699978 776874204 /nfs/dbraw/zinc/87/42/04/776874204.db2.gz UBYVDQZOGIQQHX-OAHLLOKOSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229703336 776876462 /nfs/dbraw/zinc/87/64/62/776876462.db2.gz YVGMMZRZWNTUBP-MRXNPFEDSA-N 2 0 276.424 3.000 20 0 CFADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917199 776893817 /nfs/dbraw/zinc/89/38/17/776893817.db2.gz LFCWIEGTRLRKLW-MUJYYYPQSA-N 2 0 250.430 2.743 20 0 CFADRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167919328 776919157 /nfs/dbraw/zinc/91/91/57/776919157.db2.gz YJMLJJLQNZDOGU-MIFYACCESA-N 2 0 286.419 2.744 20 0 CFADRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167936481 776979367 /nfs/dbraw/zinc/97/93/67/776979367.db2.gz OFXYTGPRNNCVAQ-FXUDXRNXSA-N 2 0 292.467 2.797 20 0 CFADRP c1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)cc1 ZINC001167941513 776993028 /nfs/dbraw/zinc/99/30/28/776993028.db2.gz ZYDIMVVLEUKMOV-QZKQXFQVSA-N 2 0 282.431 2.849 20 0 CFADRP CC(C)(C)[NH+]1CCC(Oc2ccc3[nH]c(N)[nH+]c3c2)CC1 ZINC001230517955 777002790 /nfs/dbraw/zinc/00/27/90/777002790.db2.gz ITKRNHDBKAHQFN-UHFFFAOYSA-N 2 0 288.395 2.787 20 0 CFADRP CC1(C)CC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2CN)C1 ZINC000721640577 777226756 /nfs/dbraw/zinc/22/67/56/777226756.db2.gz KXSPXQFSDTWLMP-HOTGVXAUSA-N 2 0 258.409 2.951 20 0 CFADRP CC1(C)CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000688048141 777288562 /nfs/dbraw/zinc/28/85/62/777288562.db2.gz KGJXTNUEAYHQKA-UHFFFAOYSA-N 2 0 250.411 2.626 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc(C=C3CC[NH2+]CC3)n2)cc1 ZINC001211843000 777318440 /nfs/dbraw/zinc/31/84/40/777318440.db2.gz KRDFHDICZLGITA-UHFFFAOYSA-N 2 0 298.390 2.565 20 0 CFADRP CCCOc1ncccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001231863135 777356219 /nfs/dbraw/zinc/35/62/19/777356219.db2.gz OOILVJMBBDNJFE-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168406846 777357486 /nfs/dbraw/zinc/35/74/86/777357486.db2.gz JZJTXFATOCYKNL-SJORKVTESA-N 2 0 276.399 2.757 20 0 CFADRP CC1(C)C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)O1 ZINC001167965709 777405947 /nfs/dbraw/zinc/40/59/47/777405947.db2.gz LRYJSZMQVBJMFV-WTXIUTQJSA-N 2 0 278.440 2.549 20 0 CFADRP CC(C)OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965862 777409488 /nfs/dbraw/zinc/40/94/88/777409488.db2.gz OCASYJZDTQWGEQ-ALOPSCKCSA-N 2 0 280.456 2.797 20 0 CFADRP c1c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)[nH]c2cc[nH+]cc12 ZINC001232011380 777410863 /nfs/dbraw/zinc/41/08/63/777410863.db2.gz CRVVVUWRKFVDCX-MRXNPFEDSA-N 2 0 271.364 2.708 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@@]1(C)O ZINC001232010842 777411014 /nfs/dbraw/zinc/41/10/14/777411014.db2.gz DTBYXTMOTWMZOT-BLLLJJGKSA-N 2 0 273.380 2.546 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013827 777412867 /nfs/dbraw/zinc/41/28/67/777412867.db2.gz GTIKCKWUUKEEHU-MRXNPFEDSA-N 2 0 294.358 2.611 20 0 CFADRP Cc1nnc(C2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)o1 ZINC001232015171 777413001 /nfs/dbraw/zinc/41/30/01/777413001.db2.gz CCGJRTXPPQUCFF-UHFFFAOYSA-N 2 0 297.362 2.634 20 0 CFADRP COCCC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014899 777413322 /nfs/dbraw/zinc/41/33/22/777413322.db2.gz WZHABHMETKUKMC-UHFFFAOYSA-N 2 0 273.380 2.811 20 0 CFADRP CO[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001232019144 777413983 /nfs/dbraw/zinc/41/39/83/777413983.db2.gz WSHPMGFKUMBARE-FZMZJTMJSA-N 2 0 259.353 2.562 20 0 CFADRP COc1cccc2[nH]cc(C[NH+]3CC4(C3)CC[NH+](C)CC4)c21 ZINC001232039251 777420625 /nfs/dbraw/zinc/42/06/25/777420625.db2.gz ZEFJCUWWSAEZHP-UHFFFAOYSA-N 2 0 299.418 2.704 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC001232143858 777449948 /nfs/dbraw/zinc/44/99/48/777449948.db2.gz DEEAYWAWRFBANB-QGZVFWFLSA-N 2 0 294.414 2.624 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1 ZINC001232143751 777450056 /nfs/dbraw/zinc/45/00/56/777450056.db2.gz CJBUCWDLHJAWSI-QGZVFWFLSA-N 2 0 294.414 2.624 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001232149293 777453617 /nfs/dbraw/zinc/45/36/17/777453617.db2.gz LMLRTWZTKXAMLY-BPUTZDHNSA-N 2 0 280.362 2.820 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC[C@]3(CCCO3)C1)C2 ZINC001167985071 777468381 /nfs/dbraw/zinc/46/83/81/777468381.db2.gz UKKXTTLVHIBYGI-UJJTZGENSA-N 2 0 290.451 2.647 20 0 CFADRP COC[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985543 777470362 /nfs/dbraw/zinc/47/03/62/777470362.db2.gz YGJGPWRDZLRUOT-KTGAGVNESA-N 2 0 292.467 2.893 20 0 CFADRP Cc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1OC(C)C ZINC001232394432 777545882 /nfs/dbraw/zinc/54/58/82/777545882.db2.gz GTHNPHAMQYHEBT-CALCHBBNSA-N 2 0 288.435 2.776 20 0 CFADRP CSCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002988 777567070 /nfs/dbraw/zinc/56/70/70/777567070.db2.gz GTVMPOHZYVIFNJ-YIONKMFJSA-N 2 0 268.470 2.687 20 0 CFADRP C[C@H]1CC([NH2+]CC2COC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005023 777573932 /nfs/dbraw/zinc/57/39/32/777573932.db2.gz DPVHMEFKSLNMNI-GJZGRUSLSA-N 2 0 288.435 2.664 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)[C@@H](C)C1 ZINC000339096386 777584203 /nfs/dbraw/zinc/58/42/03/777584203.db2.gz MNBIPTGYUCLVNV-NXOAAHMSSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H](NC(C)(C)C[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168010782 777608708 /nfs/dbraw/zinc/60/87/08/777608708.db2.gz KYSPKPFCKYHGAY-SCAQPMJSSA-N 2 0 289.467 2.755 20 0 CFADRP COc1cccc(C)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001232623235 777621079 /nfs/dbraw/zinc/62/10/79/777621079.db2.gz KVNNYNCJMMYWAR-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP c1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)cc[nH+]1 ZINC001277695305 777631541 /nfs/dbraw/zinc/63/15/41/777631541.db2.gz XWTFIVDKMRNASR-IYBDPMFKSA-N 2 0 257.381 2.677 20 0 CFADRP C[C@H]1CC([NH2+]CCCC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015205 777647560 /nfs/dbraw/zinc/64/75/60/777647560.db2.gz PNFOUHIWUDGKOG-HOTGVXAUSA-N 3 0 289.467 2.757 20 0 CFADRP c1c[nH]c(C[N@H+]2CC[C@H]3CN(c4ccccn4)C[C@H]3CC2)c1 ZINC001277753278 777774688 /nfs/dbraw/zinc/77/46/88/777774688.db2.gz UWMLJFPUWZVZIK-IYBDPMFKSA-N 2 0 296.418 2.758 20 0 CFADRP COc1cc(F)c(CN2CCC3(C[NH+](C)C3)CC2)cc1F ZINC001233344281 777901421 /nfs/dbraw/zinc/90/14/21/777901421.db2.gz WODWONMAHCPGIK-UHFFFAOYSA-N 2 0 296.361 2.501 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3cc4cccnc4s3)C2)C1 ZINC001233349615 777907117 /nfs/dbraw/zinc/90/71/17/777907117.db2.gz ZZQZJZIOWQKTKU-MRXNPFEDSA-N 2 0 287.432 2.824 20 0 CFADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168092112 778020285 /nfs/dbraw/zinc/02/02/85/778020285.db2.gz FCAXBMMHQXGAGG-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CCN(C)CC2)sc1C ZINC001233646983 778023851 /nfs/dbraw/zinc/02/38/51/778023851.db2.gz XHAFTPCLHDGROL-UHFFFAOYSA-N 2 0 252.427 2.891 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000697177104 778110870 /nfs/dbraw/zinc/11/08/70/778110870.db2.gz JYVKPGHHMUBVRR-NEPJUHHUSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+](Cc1c[nH]c(=O)c2ccccc12)CC1CC[NH+](C)CC1 ZINC001233987494 778130574 /nfs/dbraw/zinc/13/05/74/778130574.db2.gz FMHHTOIDOLTPMU-UHFFFAOYSA-N 2 0 299.418 2.714 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCSCC[NH3+] ZINC001168169972 778203761 /nfs/dbraw/zinc/20/37/61/778203761.db2.gz ZOWRITXMFORLFK-NSHDSACASA-N 2 0 272.845 2.553 20 0 CFADRP CCOCC[N@@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277856708 778224949 /nfs/dbraw/zinc/22/49/49/778224949.db2.gz SNIMXBVSXNWNKL-UHFFFAOYSA-N 2 0 288.435 2.502 20 0 CFADRP CCOCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001277858493 778232799 /nfs/dbraw/zinc/23/27/99/778232799.db2.gz QOIDFAZYKKCDRK-DLBZAZTESA-N 2 0 291.439 2.576 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001168245294 778269416 /nfs/dbraw/zinc/26/94/16/778269416.db2.gz VXHZJMCAPIYULO-IMRCBTMISA-N 2 0 288.435 2.660 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)[nH]1 ZINC001234634368 778270793 /nfs/dbraw/zinc/27/07/93/778270793.db2.gz GJCNDORSICMDSS-UHFFFAOYSA-N 2 0 290.455 2.580 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235030049 778359164 /nfs/dbraw/zinc/35/91/64/778359164.db2.gz DUYSTUDXOREGGR-GXTWGEPZSA-N 2 0 284.325 2.808 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026836 778359402 /nfs/dbraw/zinc/35/94/02/778359402.db2.gz UMMMHAHXEOKBAE-JKSUJKDBSA-N 2 0 296.455 2.574 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041374 778363577 /nfs/dbraw/zinc/36/35/77/778363577.db2.gz POQJCNZBGFULPZ-YVSFHVDLSA-N 2 0 260.425 2.807 20 0 CFADRP CCCc1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc1 ZINC001235090419 778377405 /nfs/dbraw/zinc/37/74/05/778377405.db2.gz YROOHDHAQYOCCF-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP c1cc2c(c(C[NH+]3CCC4(CC[NH2+]CC4)CC3)c1)NCC2 ZINC001235131911 778395971 /nfs/dbraw/zinc/39/59/71/778395971.db2.gz FABLYLZUOLNMJC-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169380 778402448 /nfs/dbraw/zinc/40/24/48/778402448.db2.gz AFBFVCSYDMZDJU-YLFCFFPRSA-N 2 0 260.425 2.807 20 0 CFADRP COc1cccc(CCN2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235172407 778403655 /nfs/dbraw/zinc/40/36/55/778403655.db2.gz MNKNDWLEFNXRPR-GOSISDBHSA-N 2 0 288.435 2.846 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC001235184120 778405777 /nfs/dbraw/zinc/40/57/77/778405777.db2.gz GVQZIZPYLSGART-SJORKVTESA-N 2 0 288.435 2.824 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235186242 778405962 /nfs/dbraw/zinc/40/59/62/778405962.db2.gz GAJJJCZCABJVLF-KGLIPLIRSA-N 2 0 298.352 2.789 20 0 CFADRP C[NH+](C)C1CCC(n2c3ccccc3nc2CC[NH3+])CC1 ZINC001168295017 778410663 /nfs/dbraw/zinc/41/06/63/778410663.db2.gz OYCNGPDNQBBODI-UHFFFAOYSA-N 2 0 286.423 2.583 20 0 CFADRP C[NH+](C)C1CCC(n2ncc3c2cccc3C[NH3+])CC1 ZINC001168298455 778411444 /nfs/dbraw/zinc/41/14/44/778411444.db2.gz VKLIULZVGUTLJS-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cccccc1-2 ZINC001235198533 778411638 /nfs/dbraw/zinc/41/16/38/778411638.db2.gz PTTBNAIWSIBIRP-NVXWUHKLSA-N 2 0 266.388 2.833 20 0 CFADRP C[NH+](C)C1CCC(n2ncc3cccc(C[NH3+])c32)CC1 ZINC001168298526 778411998 /nfs/dbraw/zinc/41/19/98/778411998.db2.gz ZLSRDJSLFPCUHX-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001168298494 778412088 /nfs/dbraw/zinc/41/20/88/778412088.db2.gz XKEBRQJERMUVQN-CSKOPFHVSA-N 3 0 295.515 2.993 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](CCO)c2ccc(F)cc2)CC1 ZINC001168297784 778413160 /nfs/dbraw/zinc/41/31/60/778413160.db2.gz KXTAPFYNMZOYAQ-JCYILVPMSA-N 2 0 294.414 2.712 20 0 CFADRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](C3CCCC3)CC2)C1 ZINC001277930589 778414526 /nfs/dbraw/zinc/41/45/26/778414526.db2.gz PJQPIWRIOYHRCU-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC001168300308 778415283 /nfs/dbraw/zinc/41/52/83/778415283.db2.gz TVDHSZFCOBLJLL-UHFFFAOYSA-N 3 0 281.488 2.715 20 0 CFADRP Clc1cccc(CCCN2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235209739 778415430 /nfs/dbraw/zinc/41/54/30/778415430.db2.gz PDHRFYZJMMPYTD-ZBFHGGJFSA-N 2 0 278.827 2.956 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(N)cc1 ZINC001168300335 778415500 /nfs/dbraw/zinc/41/55/00/778415500.db2.gz UVBXADCOEOXJLX-JQRITLKVSA-N 2 0 261.413 2.792 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@H]21 ZINC001235210078 778416314 /nfs/dbraw/zinc/41/63/14/778416314.db2.gz JXUMEAHYSLXSMC-BWTSREIZSA-N 2 0 278.399 2.707 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC001168304357 778418653 /nfs/dbraw/zinc/41/86/53/778418653.db2.gz XZYAVSQNSMFJKY-UYSNPLJNSA-N 2 0 296.842 2.836 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC001168305177 778419071 /nfs/dbraw/zinc/41/90/71/778419071.db2.gz KRIADANDHJCTOP-WLYUNCDWSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1c(F)cccc1[C@@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168305567 778419499 /nfs/dbraw/zinc/41/94/99/778419499.db2.gz NGXRYCQEEXICAL-MQBCKMQZSA-N 2 0 294.414 2.630 20 0 CFADRP Cc1cccnc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235228644 778422484 /nfs/dbraw/zinc/42/24/84/778422484.db2.gz JSAKSFVGRHPQKT-MRXNPFEDSA-N 2 0 273.424 2.744 20 0 CFADRP Oc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235229128 778422909 /nfs/dbraw/zinc/42/29/09/778422909.db2.gz OFYJLLVTJNJPPW-KRWDZBQOSA-N 2 0 292.398 2.885 20 0 CFADRP c1[nH]c2ccncc2c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230279 778422935 /nfs/dbraw/zinc/42/29/35/778422935.db2.gz UYNIVLCGGHJSFE-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235230539 778423201 /nfs/dbraw/zinc/42/32/01/778423201.db2.gz OJYGKAWPWSYDKT-MRXNPFEDSA-N 2 0 275.440 2.986 20 0 CFADRP Cc1cccnc1C1(C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168312272 778424416 /nfs/dbraw/zinc/42/44/16/778424416.db2.gz NURRNSHVFRMIHL-UHFFFAOYSA-N 2 0 287.451 2.884 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)o1 ZINC001235235773 778424994 /nfs/dbraw/zinc/42/49/94/778424994.db2.gz ASMQZYMJOMDBCA-OAHLLOKOSA-N 2 0 277.412 2.646 20 0 CFADRP c1nn2ccccc2c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237465 778426222 /nfs/dbraw/zinc/42/62/22/778426222.db2.gz BRPPWCMFXXLQOM-QGZVFWFLSA-N 2 0 298.434 2.688 20 0 CFADRP Cc1ncc(F)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237326 778426465 /nfs/dbraw/zinc/42/64/65/778426465.db2.gz AEYAOYMQVAWVIS-QGZVFWFLSA-N 2 0 291.414 2.883 20 0 CFADRP c1c2ccncc2[nH]c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235238005 778426857 /nfs/dbraw/zinc/42/68/57/778426857.db2.gz GCYIBQUZPNXMKA-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP Nc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235239056 778428180 /nfs/dbraw/zinc/42/81/80/778428180.db2.gz SNADDMKUKQTGIG-QGZVFWFLSA-N 2 0 291.414 2.762 20 0 CFADRP C[NH+](C)C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001168319231 778429008 /nfs/dbraw/zinc/42/90/08/778429008.db2.gz PHESVXDFVRHWMN-VTXSZYRJSA-N 2 0 272.383 2.836 20 0 CFADRP Cc1scnc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243282 778429039 /nfs/dbraw/zinc/42/90/39/778429039.db2.gz WRNQNNOMDCVPQO-CQSZACIVSA-N 2 0 279.453 2.806 20 0 CFADRP CC(C)[NH+]1CC(Nc2cccc(C3=[NH+]CCC3)c2)C1 ZINC001168317652 778429416 /nfs/dbraw/zinc/42/94/16/778429416.db2.gz QJSPNTJTQAKTGO-UHFFFAOYSA-N 2 0 257.381 2.774 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235255398 778434761 /nfs/dbraw/zinc/43/47/61/778434761.db2.gz MTBBJSKQTYAQTI-HIFRSBDPSA-N 2 0 298.352 2.932 20 0 CFADRP CCCCOC(=O)[C@@H]1CC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168329781 778436023 /nfs/dbraw/zinc/43/60/23/778436023.db2.gz IERNDAOTEWBGEQ-QQFBHYJXSA-N 2 0 296.455 2.524 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2c(c1)CCCC2 ZINC001235266914 778440102 /nfs/dbraw/zinc/44/01/02/778440102.db2.gz HSOVSNGLQWZXFA-SJLPKXTDSA-N 2 0 270.420 2.749 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC001235267782 778440348 /nfs/dbraw/zinc/44/03/48/778440348.db2.gz IZOAFINBWDWJTP-WMZOPIPTSA-N 2 0 281.403 2.661 20 0 CFADRP [NH3+]Cc1nc2ccccc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168351667 778446336 /nfs/dbraw/zinc/44/63/36/778446336.db2.gz XNOFSCZHPFKYLM-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)c2c(c1)CCCC2 ZINC001235339131 778458872 /nfs/dbraw/zinc/45/88/72/778458872.db2.gz DDIKNJCZKSKKCI-HNNXBMFYSA-N 2 0 270.420 2.607 20 0 CFADRP CCc1cc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)ccc1Cl ZINC001235342434 778461722 /nfs/dbraw/zinc/46/17/22/778461722.db2.gz VNZAGYJYPQBEBK-AWEZNQCLSA-N 2 0 278.827 2.944 20 0 CFADRP CCCC[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348222 778465266 /nfs/dbraw/zinc/46/52/66/778465266.db2.gz DMOPUMHYOIRPHM-IAGOWNOFSA-N 2 0 258.409 2.866 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000721255495 778475355 /nfs/dbraw/zinc/47/53/55/778475355.db2.gz RSAAIRUUJSZRTQ-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235400552 778475374 /nfs/dbraw/zinc/47/53/74/778475374.db2.gz KJBUMYAKKWLKCA-MSOLQXFVSA-N 2 0 288.410 2.699 20 0 CFADRP Fc1ccc(CCC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235404125 778477669 /nfs/dbraw/zinc/47/76/69/778477669.db2.gz MOYSEZDVYSAARE-DLBZAZTESA-N 2 0 294.389 2.782 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424817 778486807 /nfs/dbraw/zinc/48/68/07/778486807.db2.gz JXZZILOCIJWFJZ-IGKNDFSCSA-N 2 0 274.452 2.910 20 0 CFADRP C[N@@H+](Cc1ccccc1-n1cccc1)CC1CC[NH2+]CC1 ZINC001235433790 778488080 /nfs/dbraw/zinc/48/80/80/778488080.db2.gz QMJGTBLXTQBXIU-UHFFFAOYSA-N 2 0 283.419 2.909 20 0 CFADRP Cc1c(C)c(C[N@H+](C)CCC[NH3+])ccc1Br ZINC001235435541 778489777 /nfs/dbraw/zinc/48/97/77/778489777.db2.gz OEXSGGMJCNCVDZ-UHFFFAOYSA-N 2 0 285.229 2.847 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000697920696 778525816 /nfs/dbraw/zinc/52/58/16/778525816.db2.gz QWWRYRQHCGAKJQ-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000697920694 778526061 /nfs/dbraw/zinc/52/60/61/778526061.db2.gz QWWRYRQHCGAKJQ-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CCN(C[C@@H]([NH3+])c2ccccc2)C[C@@H]1c1ccccc1 ZINC001235672837 778531380 /nfs/dbraw/zinc/53/13/80/778531380.db2.gz HYHBYNYFJRSFPL-RTBURBONSA-N 2 0 295.430 2.675 20 0 CFADRP C[N@@H+]1CCN(C[C@@H]([NH3+])c2ccccc2)C[C@H]1c1ccccc1 ZINC001235672836 778531526 /nfs/dbraw/zinc/53/15/26/778531526.db2.gz HYHBYNYFJRSFPL-MOPGFXCFSA-N 2 0 295.430 2.675 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(COc2ccccc2)CC1 ZINC001235673222 778531685 /nfs/dbraw/zinc/53/16/85/778531685.db2.gz CYNOGZYHJCZLQR-UHFFFAOYSA-N 2 0 262.397 2.516 20 0 CFADRP Cc1ccc(CN2CC[NH+](CCCCCC[NH3+])CC2)cc1 ZINC001235693089 778539114 /nfs/dbraw/zinc/53/91/14/778539114.db2.gz RCNCGLKEJUWDLP-UHFFFAOYSA-N 2 0 289.467 2.632 20 0 CFADRP C[N@@H+](CCc1ccc(F)c(F)c1)CCC1CC[NH2+]CC1 ZINC001235713170 778544577 /nfs/dbraw/zinc/54/45/77/778544577.db2.gz DPRGUHOOSZJRHU-UHFFFAOYSA-N 2 0 282.378 2.829 20 0 CFADRP COc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)c(C)c1 ZINC001235716884 778545956 /nfs/dbraw/zinc/54/59/56/778545956.db2.gz LHAQQNRBCAATLZ-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CCOc1cccc(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717429 778546986 /nfs/dbraw/zinc/54/69/86/778546986.db2.gz VALICKDUPKZXSS-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP COCCCN(Cc1cc(C)cs1)[C@@H]1CCC[NH2+]C1 ZINC001235805281 778563521 /nfs/dbraw/zinc/56/35/21/778563521.db2.gz CTHPVDBSVKMEKY-CQSZACIVSA-N 2 0 282.453 2.647 20 0 CFADRP COC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235827792 778571118 /nfs/dbraw/zinc/57/11/18/778571118.db2.gz QAUMZUTWSURPBL-QGZVFWFLSA-N 2 0 288.435 2.722 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC001235840810 778575705 /nfs/dbraw/zinc/57/57/05/778575705.db2.gz ASQFCYMUCCJTJT-GJZGRUSLSA-N 2 0 250.430 2.910 20 0 CFADRP C[N@H+](CCCC[NH3+])Cc1cccc(Br)c1F ZINC001235840286 778576021 /nfs/dbraw/zinc/57/60/21/778576021.db2.gz HWRHSMZTQOOGDI-UHFFFAOYSA-N 2 0 289.192 2.759 20 0 CFADRP C[N@H+](CCCCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001235841741 778576937 /nfs/dbraw/zinc/57/69/37/778576937.db2.gz INKHMDJBQCLCOG-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C[C@@H]1CC[NH2+]C1 ZINC001235843110 778577146 /nfs/dbraw/zinc/57/71/46/778577146.db2.gz VTQXKNGRZRQPJS-LLVKDONJSA-N 2 0 277.799 2.863 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)CO1 ZINC001235865357 778584159 /nfs/dbraw/zinc/58/41/59/778584159.db2.gz CPWKSAMMBCFEPZ-SOUVJXGZSA-N 2 0 266.429 2.756 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(c2noc3ccc(F)cc32)CC1 ZINC001235865251 778584717 /nfs/dbraw/zinc/58/47/17/778584717.db2.gz BKEXZCGQPSZDRL-UHFFFAOYSA-N 2 0 291.370 2.885 20 0 CFADRP C[C@H]([NH3+])CN1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001235881554 778588466 /nfs/dbraw/zinc/58/84/66/778588466.db2.gz GLNBCLHLMJKTQE-CMPLNLGQSA-N 2 0 283.213 2.586 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1NCC2 ZINC001235887574 778591438 /nfs/dbraw/zinc/59/14/38/778591438.db2.gz FYTNDIIMQRJFNB-QGZVFWFLSA-N 2 0 285.435 2.619 20 0 CFADRP CCCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235929038 778612967 /nfs/dbraw/zinc/61/29/67/778612967.db2.gz GFKBASGUUXZJGL-IAGOWNOFSA-N 2 0 288.435 2.907 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929040 778613032 /nfs/dbraw/zinc/61/30/32/778613032.db2.gz GFKBASGUUXZJGL-SJORKVTESA-N 2 0 288.435 2.907 20 0 CFADRP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235930438 778613573 /nfs/dbraw/zinc/61/35/73/778613573.db2.gz WWIBHMJEPMBHSN-AIANPOQGSA-N 2 0 290.838 2.985 20 0 CFADRP COc1ccc2cc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)ccc2c1 ZINC001235929501 778613975 /nfs/dbraw/zinc/61/39/75/778613975.db2.gz QMSIWLUOJBMRRD-MSOLQXFVSA-N 2 0 296.414 2.890 20 0 CFADRP CCCCOc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235934562 778615645 /nfs/dbraw/zinc/61/56/45/778615645.db2.gz BPMOCJLTVNPLON-DLBZAZTESA-N 2 0 288.435 2.907 20 0 CFADRP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235936276 778616592 /nfs/dbraw/zinc/61/65/92/778616592.db2.gz GISBFQNVXVHMHA-AEFFLSMTSA-N 2 0 296.414 2.890 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235936310 778616888 /nfs/dbraw/zinc/61/68/88/778616888.db2.gz GMSWYYPWTZTLSK-IRXDYDNUSA-N 2 0 258.409 2.851 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235941594 778619641 /nfs/dbraw/zinc/61/96/41/778619641.db2.gz VZYZDLAYBPRLHU-QZTJIDSGSA-N 2 0 270.420 2.995 20 0 CFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)c1C ZINC001235942945 778620493 /nfs/dbraw/zinc/62/04/93/778620493.db2.gz YTOQHZSVOAXEDJ-JKSUJKDBSA-N 2 0 288.435 2.662 20 0 CFADRP COc1cc(C)c(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1C ZINC001235951357 778623872 /nfs/dbraw/zinc/62/38/72/778623872.db2.gz RARMDSPWKHHBCH-HNNXBMFYSA-N 2 0 276.424 2.743 20 0 CFADRP CC[C@H]1CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235949380 778623945 /nfs/dbraw/zinc/62/39/45/778623945.db2.gz HRSBUJXECPWXPU-INIZCTEOSA-N 2 0 287.451 2.718 20 0 CFADRP c1ccc(C2C[NH+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001235949464 778624159 /nfs/dbraw/zinc/62/41/59/778624159.db2.gz LZPCKTHUOQQKJC-UHFFFAOYSA-N 2 0 278.399 2.932 20 0 CFADRP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C[C@H]1CC1(C)C ZINC001235958051 778626812 /nfs/dbraw/zinc/62/68/12/778626812.db2.gz DNRAWRNZYBGIQY-MRXNPFEDSA-N 2 0 287.451 2.574 20 0 CFADRP CCc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001235956478 778627239 /nfs/dbraw/zinc/62/72/39/778627239.db2.gz DXSQHSQCWVCIHA-CQSZACIVSA-N 2 0 290.451 2.948 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235960234 778630076 /nfs/dbraw/zinc/63/00/76/778630076.db2.gz SCOPHBRWYLXYQS-SCAQPMJSSA-N 2 0 256.393 2.733 20 0 CFADRP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235963956 778632227 /nfs/dbraw/zinc/63/22/27/778632227.db2.gz YUXZFQGKJICMFW-UHDSXZAQSA-N 2 0 280.456 2.715 20 0 CFADRP Clc1ccc(O[C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001235974438 778635310 /nfs/dbraw/zinc/63/53/10/778635310.db2.gz ROOLFYKDNSBAQM-CJNGLKHVSA-N 2 0 294.826 2.793 20 0 CFADRP CC(C)(C)CC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236004128 778649292 /nfs/dbraw/zinc/64/92/92/778649292.db2.gz BUPBHTALQCZTMK-AEFFLSMTSA-N 2 0 272.436 2.896 20 0 CFADRP CC(C)(O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001236006119 778651081 /nfs/dbraw/zinc/65/10/81/778651081.db2.gz NOYCZRBKKZCKRB-HNNXBMFYSA-N 2 0 268.445 2.534 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001236009332 778653923 /nfs/dbraw/zinc/65/39/23/778653923.db2.gz RSFJRKXECFHAFK-JKSUJKDBSA-N 2 0 276.399 2.690 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236066466 778679846 /nfs/dbraw/zinc/67/98/46/778679846.db2.gz HTJFNQVICCBBSV-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@H]1C[N@H+](CCC2C[NH2+]C2)CCc2ccc(Cl)cc21 ZINC001236085226 778685539 /nfs/dbraw/zinc/68/55/39/778685539.db2.gz LJMPPGVQVWBCMZ-LBPRGKRZSA-N 2 0 278.827 2.911 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Sc2ccccc2)CC1 ZINC001236091086 778686847 /nfs/dbraw/zinc/68/68/47/778686847.db2.gz SEHGQUNPLCPIRA-UHFFFAOYSA-N 2 0 264.438 2.982 20 0 CFADRP CCOc1ccc(CN2CCC[NH2+][C@@H](C)C2)cc1CC ZINC001236095544 778690186 /nfs/dbraw/zinc/69/01/86/778690186.db2.gz WFAQBNHTIVPIOP-AWEZNQCLSA-N 2 0 276.424 2.832 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001168372137 778691930 /nfs/dbraw/zinc/69/19/30/778691930.db2.gz UPKRQIDCEKSTPX-MAUKXSAKSA-N 3 0 293.499 2.569 20 0 CFADRP Nc1ccc2c(c1)CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001236104581 778695862 /nfs/dbraw/zinc/69/58/62/778695862.db2.gz COPWIKWOEXZRRZ-UHFFFAOYSA-N 2 0 299.443 2.534 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3[C@H](C)C[NH2+]C[C@H]3C)cc21 ZINC001236106647 778696518 /nfs/dbraw/zinc/69/65/18/778696518.db2.gz IFWTZVQUAYAUGE-HUUCEWRRSA-N 2 0 299.462 2.870 20 0 CFADRP CCCN(CCC[NH2+]C1CCCCC1)C1CC[NH2+]CC1 ZINC001236181194 778728625 /nfs/dbraw/zinc/72/86/25/778728625.db2.gz WJUDAQLUAOJLKH-UHFFFAOYSA-N 2 0 281.488 2.763 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCC[NH3+] ZINC001236238053 778747659 /nfs/dbraw/zinc/74/76/59/778747659.db2.gz YASARZVTMOVBHQ-ILXRZTDVSA-N 2 0 296.455 2.700 20 0 CFADRP FC(F)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387669 778766447 /nfs/dbraw/zinc/76/64/47/778766447.db2.gz OXVNWMKEUTYIRO-UHFFFAOYSA-N 2 0 272.383 2.838 20 0 CFADRP CC[N@@H+](CCc1ccc(OC)cc1)CCC1CC[NH2+]CC1 ZINC001236303911 778767796 /nfs/dbraw/zinc/76/77/96/778767796.db2.gz VELZSYBVYLPYQL-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP c1cc2n(c1C[N@@H+]1CC[C@H]3CCCC[C@@H]3C1)CC[NH2+]C2 ZINC001236308611 778771235 /nfs/dbraw/zinc/77/12/35/778771235.db2.gz UQXMKXBRZMZJGB-HUUCEWRRSA-N 2 0 273.424 2.603 20 0 CFADRP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314027 778772971 /nfs/dbraw/zinc/77/29/71/778772971.db2.gz GRADOEACRUSCOH-GASCZTMLSA-N 2 0 283.419 2.908 20 0 CFADRP c1ccc2ncc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2c1 ZINC001236314371 778773922 /nfs/dbraw/zinc/77/39/22/778773922.db2.gz CKBFNDVVGNAYED-CALCHBBNSA-N 2 0 281.403 2.666 20 0 CFADRP FC(F)Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317442 778776636 /nfs/dbraw/zinc/77/66/36/778776636.db2.gz XPJJVOAOADLMMW-BETUJISGSA-N 2 0 296.361 2.719 20 0 CFADRP Fc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236320483 778777598 /nfs/dbraw/zinc/77/75/98/778777598.db2.gz PFKPAXMSOZBUKI-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP COc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320981 778777987 /nfs/dbraw/zinc/77/79/87/778777987.db2.gz UZPKDLWBUVWPSW-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP COc1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320661 778778071 /nfs/dbraw/zinc/77/80/71/778778071.db2.gz SXMZHVXHGZPGSY-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cnc1C1CC1 ZINC001236321691 778778747 /nfs/dbraw/zinc/77/87/47/778778747.db2.gz OIBXWPNPJKEYRD-CALCHBBNSA-N 2 0 285.435 2.699 20 0 CFADRP C[N@@H+]1CCc2cc(-c3cccc4c3CC[NH2+]C4)ccc2C1 ZINC001236355178 778789987 /nfs/dbraw/zinc/78/99/87/778789987.db2.gz UILAUGSVVYSCOG-UHFFFAOYSA-N 2 0 278.399 2.987 20 0 CFADRP C[NH+](C)/C=C/c1ccncc1-c1cccc2c1CC[NH2+]C2 ZINC001236362018 778791730 /nfs/dbraw/zinc/79/17/30/778791730.db2.gz VONYKQYCSIPYLG-DHZHZOJOSA-N 2 0 279.387 2.927 20 0 CFADRP CCCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000032105894 778793112 /nfs/dbraw/zinc/79/31/12/778793112.db2.gz LUZHLNPIEZJBRP-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP Cc1n[nH]c(C)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374423 778796326 /nfs/dbraw/zinc/79/63/26/778796326.db2.gz RDZXUXCVOYZRKU-OAHLLOKOSA-N 2 0 290.455 2.771 20 0 CFADRP C[N@H+](CCC(C)(C)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410588 778806562 /nfs/dbraw/zinc/80/65/62/778806562.db2.gz HLQFKHSNHFNTFP-ZSHCYNCHSA-N 2 0 258.409 2.504 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccccc2N2CC[NH2+]CC2)c1 ZINC001236426535 778821202 /nfs/dbraw/zinc/82/12/02/778821202.db2.gz XBUDKJRIOTYPMV-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2CC[C@H]2C[NH2+]CCO2)c1 ZINC001236427991 778822329 /nfs/dbraw/zinc/82/23/29/778822329.db2.gz FPYHRWDHAZGDHL-ROUUACIJSA-N 2 0 288.435 2.819 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CC[C@@](F)(C[NH3+])C2)C1(C)C ZINC001236436586 778828928 /nfs/dbraw/zinc/82/89/28/778828928.db2.gz YTASKONSKNWHBI-UKRRQHHQSA-N 2 0 254.393 2.742 20 0 CFADRP CC(C)(C)C[N@H+](CCCCCC[NH3+])C1CC[NH2+]CC1 ZINC001236457063 778833960 /nfs/dbraw/zinc/83/39/60/778833960.db2.gz JQWRTHQHBCTUMN-UHFFFAOYSA-N 3 0 269.477 2.606 20 0 CFADRP CC(C)CN(Cc1cccc2c[nH+]cn21)[C@@H]1CCC[NH2+]C1 ZINC001236478663 778845445 /nfs/dbraw/zinc/84/54/45/778845445.db2.gz KPYJNGWISCLJQJ-OAHLLOKOSA-N 2 0 286.423 2.544 20 0 CFADRP CC(C)C[N@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553043 778875161 /nfs/dbraw/zinc/87/51/61/778875161.db2.gz VZKAEQQFUHXPBH-IYARVYRRSA-N 3 0 289.467 2.873 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCCC2)CC1 ZINC001236565476 778877995 /nfs/dbraw/zinc/87/79/95/778877995.db2.gz HSPPIMIUAZEXHS-BQFCYCMXSA-N 3 0 293.499 2.891 20 0 CFADRP COc1cc(C)cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236600018 778889412 /nfs/dbraw/zinc/88/94/12/778889412.db2.gz XYWGYJGZYDQONZ-OAHLLOKOSA-N 2 0 288.435 2.968 20 0 CFADRP c1cc2c(c(C[N@H+](C3CCC3)C3CC[NH2+]CC3)c1)CCN2 ZINC001236638259 778900883 /nfs/dbraw/zinc/90/08/83/778900883.db2.gz XPRZFYUCNLFCSU-UHFFFAOYSA-N 2 0 285.435 2.761 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1ccc(F)c(O)c1 ZINC001236708828 778917013 /nfs/dbraw/zinc/91/70/13/778917013.db2.gz UQHYMVIKLYBGCY-UHFFFAOYSA-N 2 0 268.376 2.695 20 0 CFADRP CC[C@H](N)C[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754040 778928793 /nfs/dbraw/zinc/92/87/93/778928793.db2.gz BMHPLAKVOKZLLL-ULQDDVLXSA-N 2 0 281.488 2.876 20 0 CFADRP CSc1cc(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC001232346932 778929455 /nfs/dbraw/zinc/92/94/55/778929455.db2.gz NMVJCKPUVSDSIP-UHFFFAOYSA-N 2 0 293.480 2.886 20 0 CFADRP CC(C)(C)C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769537 778930145 /nfs/dbraw/zinc/93/01/45/778930145.db2.gz YAZSQQSAYFTOLL-QAQDUYKDSA-N 3 0 295.515 2.994 20 0 CFADRP CC(C)(C)C[N@H+](Cc1cccc(N)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780594 778933985 /nfs/dbraw/zinc/93/39/85/778933985.db2.gz VDLTUIOFKPWIRF-CTYIDZIISA-N 2 0 290.455 2.782 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@H]12 ZINC001236817642 778952031 /nfs/dbraw/zinc/95/20/31/778952031.db2.gz DUAXYIHCOZYIGK-CWRNSKLLSA-N 2 0 278.827 2.942 20 0 CFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1C ZINC001236818991 778952447 /nfs/dbraw/zinc/95/24/47/778952447.db2.gz LNJQWSILABEBKZ-UAGQMJEPSA-N 2 0 288.435 2.790 20 0 CFADRP CCC[N@H+](CCCc1ccc(OC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236827862 778956787 /nfs/dbraw/zinc/95/67/87/778956787.db2.gz HBMJQYAQWHSWMW-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC001236831367 778957891 /nfs/dbraw/zinc/95/78/91/778957891.db2.gz QPOMWUJKIIORRJ-USXIJHARSA-N 2 0 288.435 2.951 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC001236832905 778957954 /nfs/dbraw/zinc/95/79/54/778957954.db2.gz XIEMYOMFNPFOPN-YESZJQIVSA-N 2 0 258.409 2.808 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)CCCO2)C[C@H]1CC[NH2+]C1 ZINC001236833879 778959571 /nfs/dbraw/zinc/95/95/71/778959571.db2.gz CWDVGVPFHMAUJO-INIZCTEOSA-N 2 0 288.435 2.833 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCCC34CC4)c2)CC1 ZINC001236887928 778973488 /nfs/dbraw/zinc/97/34/88/778973488.db2.gz PBZDJONUYKSXHV-UHFFFAOYSA-N 2 0 285.435 2.567 20 0 CFADRP CCC[N@H+](CC)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236887030 778973592 /nfs/dbraw/zinc/97/35/92/778973592.db2.gz KGVRJZXUYFLOOO-UHFFFAOYSA-N 2 0 275.440 2.670 20 0 CFADRP C[NH+]1CCN(c2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC001236887800 778974011 /nfs/dbraw/zinc/97/40/11/778974011.db2.gz PZWKGBUDFZLCCB-UHFFFAOYSA-N 2 0 287.451 2.814 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947288 778983912 /nfs/dbraw/zinc/98/39/12/778983912.db2.gz JEUIJTXTHVWJQJ-CJNGLKHVSA-N 2 0 250.430 2.744 20 0 CFADRP C[NH+](C)CCCN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001278049148 779005764 /nfs/dbraw/zinc/00/57/64/779005764.db2.gz GZPVGYUFMQIYRC-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168433134 779041553 /nfs/dbraw/zinc/04/15/53/779041553.db2.gz VSDSIMSEIOIGHA-RYRKJORJSA-N 2 0 288.410 2.567 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(N)c2)CC1 ZINC001237222067 779052970 /nfs/dbraw/zinc/05/29/70/779052970.db2.gz UDEQSKMMQJDNDE-UHFFFAOYSA-N 2 0 275.440 2.821 20 0 CFADRP FC(F)Oc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237383100 779087105 /nfs/dbraw/zinc/08/71/05/779087105.db2.gz ODWZILCKJSWQBM-ZFWWWQNUSA-N 2 0 296.361 2.862 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)c1 ZINC001237383917 779088737 /nfs/dbraw/zinc/08/87/37/779088737.db2.gz SRQQJUSNNCZESI-IAGOWNOFSA-N 2 0 258.409 2.877 20 0 CFADRP c1cc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2[nH]1 ZINC001237403530 779098029 /nfs/dbraw/zinc/09/80/29/779098029.db2.gz LAGWXLOHPLZDGV-HOCLYGCPSA-N 2 0 269.392 2.742 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)NCCC2 ZINC001237410375 779101597 /nfs/dbraw/zinc/10/15/97/779101597.db2.gz CMNCKJDYMUBDKG-DLBZAZTESA-N 2 0 285.435 2.619 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CCO[C@@H](C)C3)cc21 ZINC001237881893 779199315 /nfs/dbraw/zinc/19/93/15/779199315.db2.gz YZLSDKRFZNBUCN-AWEZNQCLSA-N 2 0 286.419 2.909 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[N@H+](C)[C@H](C)C3)cc21 ZINC001237886126 779200090 /nfs/dbraw/zinc/20/00/90/779200090.db2.gz KQWGPOBNUBBFMB-OAHLLOKOSA-N 2 0 299.462 2.824 20 0 CFADRP CC(C)c1nc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000722504887 779212829 /nfs/dbraw/zinc/21/28/29/779212829.db2.gz SQHNIXSGPFFWBM-VXGBXAGGSA-N 2 0 267.442 2.602 20 0 CFADRP c1ccc2c(c1)CC[NH+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000699304942 779240713 /nfs/dbraw/zinc/24/07/13/779240713.db2.gz JODIQOUWDYOAJJ-DODVFSASSA-N 2 0 270.420 2.618 20 0 CFADRP C[NH2+][C@@]12CC[C@@]([NH2+]CCCn3cccc3)(C1)CCC2 ZINC001278189546 779256737 /nfs/dbraw/zinc/25/67/37/779256737.db2.gz UDLYZPNAAVIGDQ-JKSUJKDBSA-N 2 0 261.413 2.533 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001205123308 779266597 /nfs/dbraw/zinc/26/65/97/779266597.db2.gz AAOVYHGDDKVGJV-OAHLLOKOSA-N 2 0 291.414 2.739 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cncc(C4CC4)c3)C2)CC1 ZINC001238194851 779275960 /nfs/dbraw/zinc/27/59/60/779275960.db2.gz UZDGJSDTSPAVRE-UHFFFAOYSA-N 2 0 285.435 2.877 20 0 CFADRP CN1CCC([N@H+](C)Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238195471 779276846 /nfs/dbraw/zinc/27/68/46/779276846.db2.gz HNNQDYRFPBTSRC-UHFFFAOYSA-N 2 0 284.407 2.603 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000699504361 779282678 /nfs/dbraw/zinc/28/26/78/779282678.db2.gz QUOLIMGHXJRALV-KZNAEPCWSA-N 2 0 288.435 2.523 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001205131118 779284696 /nfs/dbraw/zinc/28/46/96/779284696.db2.gz QWGMVDDAQBTLQN-AWEZNQCLSA-N 2 0 261.344 2.620 20 0 CFADRP CC(C)(CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1)c1ccccc1 ZINC001235166009 779323308 /nfs/dbraw/zinc/32/33/08/779323308.db2.gz NMZHGDIJTHVJMM-DOTOQJQBSA-N 2 0 258.409 2.777 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001168500765 779365918 /nfs/dbraw/zinc/36/59/18/779365918.db2.gz LXLNLPDPYSSAKI-FRFSOERESA-N 2 0 276.399 2.783 20 0 CFADRP CCOc1ccc(C)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001238710928 779371945 /nfs/dbraw/zinc/37/19/45/779371945.db2.gz GQARKDSODLCGFA-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP Cc1ccccc1CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715268705 779377798 /nfs/dbraw/zinc/37/77/98/779377798.db2.gz FYUITAWMVLLOGH-UHFFFAOYSA-N 2 0 260.425 3.000 20 0 CFADRP CCSc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959520 779415138 /nfs/dbraw/zinc/41/51/38/779415138.db2.gz XHOAILXQPAMPMR-MIFYACCESA-N 2 0 276.449 2.968 20 0 CFADRP c1cc(C2=CCC[NH2+]CC2)ccc1OC1CC[NH2+]CC1 ZINC001238942031 779422052 /nfs/dbraw/zinc/42/20/52/779422052.db2.gz WHOMGSAOSOLKRJ-UHFFFAOYSA-N 2 0 272.392 2.584 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc([C@@H](C)[NH3+])c2)cn1 ZINC001239208057 779471722 /nfs/dbraw/zinc/47/17/22/779471722.db2.gz HCXMJKKCDDUBGC-CQSZACIVSA-N 2 0 286.423 2.912 20 0 CFADRP CCOc1ccc(C[N@H+](CC)C[C@@H]2CC[NH2+]C2)c(C)c1 ZINC001236409858 779558194 /nfs/dbraw/zinc/55/81/94/779558194.db2.gz XVILGOPTVNXUAO-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1csc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237380295 779682729 /nfs/dbraw/zinc/68/27/29/779682729.db2.gz GLMYPBOBKZWUBP-JSGCOSHPSA-N 2 0 250.411 2.630 20 0 CFADRP c1cc2cc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)ccc2[nH]1 ZINC001239696392 779714172 /nfs/dbraw/zinc/71/41/72/779714172.db2.gz XRGBSXRMDOXCCY-UHFFFAOYSA-N 2 0 278.359 2.640 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cncc(C[NH3+])c2)nc1 ZINC001239791752 779775856 /nfs/dbraw/zinc/77/58/56/779775856.db2.gz UNEJLXPNQSWZPR-CQSZACIVSA-N 2 0 296.418 2.977 20 0 CFADRP [NH3+]Cc1cncc(-c2cccc3c2C2(C=C3)CC[NH2+]CC2)c1 ZINC001239796735 779778781 /nfs/dbraw/zinc/77/87/81/779778781.db2.gz FUOYEILTBJQASE-UHFFFAOYSA-N 2 0 291.398 2.855 20 0 CFADRP C[N@@H+]1CC[C@H](c2ccc(-c3cncc(C[NH3+])c3)cc2)C1 ZINC001239808976 779790983 /nfs/dbraw/zinc/79/09/83/779790983.db2.gz KLZVEXCEMHBOCX-INIZCTEOSA-N 2 0 267.376 2.626 20 0 CFADRP Cc1cnc(C)c(-c2ccc(CN3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001239907017 779854389 /nfs/dbraw/zinc/85/43/89/779854389.db2.gz IPEUYZCPUHCKAW-QGZVFWFLSA-N 2 0 281.403 2.898 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000764907375 779862313 /nfs/dbraw/zinc/86/23/13/779862313.db2.gz FNOJIMSYUPVPLT-QGZVFWFLSA-N 2 0 276.424 2.540 20 0 CFADRP Cn1ccc2c1[nH+]ccc2N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601521 780031693 /nfs/dbraw/zinc/03/16/93/780031693.db2.gz SKLJWBYLGKJTEL-GJZGRUSLSA-N 2 0 272.396 2.858 20 0 CFADRP [NH3+]CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001205026200 780133178 /nfs/dbraw/zinc/13/31/78/780133178.db2.gz NMQGPWBWNVSBRI-UHFFFAOYSA-N 2 0 286.341 2.919 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000715579706 780171970 /nfs/dbraw/zinc/17/19/70/780171970.db2.gz KNZSEAKSPJTYQC-ZBCRRDGASA-N 2 0 274.408 2.973 20 0 CFADRP CC1(C)CCc2cc(C[NH+]3CCC(C[NH3+])CC3)ccc2O1 ZINC001205040936 780234092 /nfs/dbraw/zinc/23/40/92/780234092.db2.gz MCRWPYOYTGZVTQ-UHFFFAOYSA-N 2 0 288.435 2.961 20 0 CFADRP C1=CC2(CC[NH2+]CC2)c2c1cccc2C1=CCC[NH2+]C1 ZINC001240659848 780332786 /nfs/dbraw/zinc/33/27/86/780332786.db2.gz YVOBZTNEXGQYCO-UHFFFAOYSA-N 2 0 266.388 2.711 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCC2 ZINC000453149192 780419388 /nfs/dbraw/zinc/41/93/88/780419388.db2.gz ZTJJCDDDKARTFN-IAGOWNOFSA-N 2 0 292.467 2.941 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCC2 ZINC000453191877 780421650 /nfs/dbraw/zinc/42/16/50/780421650.db2.gz FXMHNBKOQHIWHS-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000453262345 780429683 /nfs/dbraw/zinc/42/96/83/780429683.db2.gz XVHSFJXZRVFVOZ-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP c1cc2ccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cc2[nH]1 ZINC001240799248 780452205 /nfs/dbraw/zinc/45/22/05/780452205.db2.gz SGWHZNRWPVVSKT-UHFFFAOYSA-N 2 0 278.359 2.640 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(C)c1F ZINC001205046760 780470206 /nfs/dbraw/zinc/47/02/06/780470206.db2.gz MCHFHRHTWLGEHZ-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP C[NH+](C)CCCCNc1cc[nH+]c(N2CCCCC2)c1 ZINC001161730981 780490728 /nfs/dbraw/zinc/49/07/28/780490728.db2.gz NDGSMWPZZDCEIN-UHFFFAOYSA-N 2 0 276.428 2.826 20 0 CFADRP C[NH+](C)CCC[N@H+](C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168718217 780492337 /nfs/dbraw/zinc/49/23/37/780492337.db2.gz NHEWEYHPMKTKDI-CYBMUJFWSA-N 2 0 266.816 2.691 20 0 CFADRP CN1CCC[C@@H]2C[N@@H+]([C@H]3Cc4cccc(Cl)c4C3)C[C@H]21 ZINC001168742776 780599290 /nfs/dbraw/zinc/59/92/90/780599290.db2.gz GKZHXDKOGCBJMC-JKIFEVAISA-N 2 0 290.838 2.833 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(OC(C)C)c1 ZINC001205053903 780647884 /nfs/dbraw/zinc/64/78/84/780647884.db2.gz UJDXYGIKPPSWPH-UHFFFAOYSA-N 2 0 292.423 2.653 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000700314537 780677385 /nfs/dbraw/zinc/67/73/85/780677385.db2.gz VFLUBUAXKRNDIA-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP C[N@H+]1CC=C(c2ccc3c(c2)CCC32CC[NH2+]CC2)CC1 ZINC001241319791 780780830 /nfs/dbraw/zinc/78/08/30/780780830.db2.gz QQSIDTUYCBOSCS-UHFFFAOYSA-N 2 0 282.431 2.973 20 0 CFADRP c1cc(-c2ncc3c(n2)C[NH2+]C3)ccc1C[NH+]1CCCCC1 ZINC001241386378 780841917 /nfs/dbraw/zinc/84/19/17/780841917.db2.gz BNGAISWZXQPFBI-UHFFFAOYSA-N 2 0 294.402 2.733 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)c(F)cc1Cl ZINC001205058155 781073798 /nfs/dbraw/zinc/07/37/98/781073798.db2.gz FMOZHGAOTPURSU-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP C[C@@H](CNCc1ccc(Cl)cn1)C[NH+]1CCCC1 ZINC000703933839 781081153 /nfs/dbraw/zinc/08/11/53/781081153.db2.gz DXYYVRNCGJVNMP-LBPRGKRZSA-N 2 0 267.804 2.557 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCSC2)c2ccccc21 ZINC000704800126 781119591 /nfs/dbraw/zinc/11/95/91/781119591.db2.gz VINITJCUPMXLOB-GLQYFDAESA-N 2 0 262.422 2.864 20 0 CFADRP Nc1cc[nH+]c2cc(-c3cnn(C4CC[NH2+]CC4)c3)ccc12 ZINC001241776531 781123192 /nfs/dbraw/zinc/12/31/92/781123192.db2.gz AQKPUSBCKXNDAL-UHFFFAOYSA-N 2 0 293.374 2.605 20 0 CFADRP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC001118057613 781177072 /nfs/dbraw/zinc/17/70/72/781177072.db2.gz FDILVLMCGSVQMC-STQMWFEESA-N 2 0 250.386 2.652 20 0 CFADRP C[C@@H](c1ccc(-c2ccc(C[NH3+])cc2)cc1)N1CC[NH2+]CC1 ZINC001241916904 781179830 /nfs/dbraw/zinc/17/98/30/781179830.db2.gz DPUKVOQKTUGIRL-HNNXBMFYSA-N 2 0 295.430 2.779 20 0 CFADRP C[C@H]([NH3+])c1cccc(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001241980914 781215034 /nfs/dbraw/zinc/21/50/34/781215034.db2.gz IQHOXDUPDQBBCZ-HNNXBMFYSA-N 2 0 295.430 2.779 20 0 CFADRP Nc1cc[nH+]c2cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc12 ZINC001242026727 781240202 /nfs/dbraw/zinc/24/02/02/781240202.db2.gz WUDGGPCDCQRJAI-OLZOCXBDSA-N 2 0 251.333 2.725 20 0 CFADRP CNc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cn1 ZINC001242070726 781262925 /nfs/dbraw/zinc/26/29/25/781262925.db2.gz AGJJXERHMBJRJE-UHFFFAOYSA-N 2 0 296.418 2.713 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)[C@@H]1CCC[NH3+] ZINC000708362961 781272292 /nfs/dbraw/zinc/27/22/92/781272292.db2.gz VMCUUNIASDDGTE-QLFBSQMISA-N 2 0 268.445 2.641 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000708362863 781272430 /nfs/dbraw/zinc/27/24/30/781272430.db2.gz VBPORLYEMGINCV-JKSUJKDBSA-N 2 0 280.456 2.513 20 0 CFADRP C([C@@H]1CC[NH2+]C1)[NH+]1CCC(C2CCCCC2)CC1 ZINC000708771355 781278038 /nfs/dbraw/zinc/27/80/38/781278038.db2.gz WUDPQAXNYDMQPS-CQSZACIVSA-N 2 0 250.430 2.888 20 0 CFADRP c1cc(C[NH+]2CCCC2)cc(-c2ccc3c(n2)C[NH2+]CC3)c1 ZINC001242117664 781288983 /nfs/dbraw/zinc/28/89/83/781288983.db2.gz PMDQJFGHPPPRGW-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP CC1(C)C[C@@H](C[NH2+][C@H]2CC[NH2+]CC2(C)C)C(C)(C)O1 ZINC000709655668 781296540 /nfs/dbraw/zinc/29/65/40/781296540.db2.gz KBGCGZDRVWAYPL-STQMWFEESA-N 2 0 268.445 2.558 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])C(C)(C)O1 ZINC000709701825 781301021 /nfs/dbraw/zinc/30/10/21/781301021.db2.gz IGFNANGGRAHEOH-KGLIPLIRSA-N 2 0 268.445 2.783 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709704843 781301932 /nfs/dbraw/zinc/30/19/32/781301932.db2.gz ZUZFSSGRARXBID-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](CCCCCC[NH3+])C1 ZINC000709598936 781316095 /nfs/dbraw/zinc/31/60/95/781316095.db2.gz OTMQCILTFASZCT-NSHDSACASA-N 2 0 252.324 2.780 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCc3ccccc3C1)[NH2+]2 ZINC000709388421 781310363 /nfs/dbraw/zinc/31/03/63/781310363.db2.gz PPMZBRCRSOFAID-FMUWMXLXSA-N 2 0 270.420 2.663 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)F ZINC000710410478 781333762 /nfs/dbraw/zinc/33/37/62/781333762.db2.gz DYCQMJNGSVBMOK-VXGBXAGGSA-N 2 0 260.372 2.884 20 0 CFADRP COc1ccc(C[N@H+](C)CCCCCC[NH3+])c(OC)c1 ZINC000710682763 781335607 /nfs/dbraw/zinc/33/56/07/781335607.db2.gz AEPUBKVXDLALOH-UHFFFAOYSA-N 2 0 280.412 2.655 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710909589 781344167 /nfs/dbraw/zinc/34/41/67/781344167.db2.gz ZISJEMNBCXHPSY-VXGBXAGGSA-N 2 0 264.438 2.872 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)O2)CC1 ZINC000711413693 781429029 /nfs/dbraw/zinc/42/90/29/781429029.db2.gz WDTIRCHHILRZQI-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP C(C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000711928613 781489131 /nfs/dbraw/zinc/48/91/31/781489131.db2.gz ZQLYQEZEDHBZLK-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH2+]Cc1cccc(-c2cccc(C[NH+](C)C)n2)c1 ZINC001242996235 781910488 /nfs/dbraw/zinc/91/04/88/781910488.db2.gz AVGHPBSRWYUECA-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP C[NH2+]Cc1cccc(-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)c1 ZINC001242998523 781912615 /nfs/dbraw/zinc/91/26/15/781912615.db2.gz UELGPFFTTBLCQW-LJQANCHMSA-N 2 0 295.430 2.606 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000594510677 349435517 /nfs/dbraw/zinc/43/55/17/349435517.db2.gz ANTVETVMHDFBPL-OAHLLOKOSA-N 2 0 298.471 2.674 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000124411279 187136399 /nfs/dbraw/zinc/13/63/99/187136399.db2.gz UQUXGWAXLGLXBF-CPUCHLNUSA-N 2 0 276.424 2.651 20 0 CFADRP Cc1nc2ccccn2c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335278697 282090039 /nfs/dbraw/zinc/09/00/39/282090039.db2.gz NHCPSMFQZJHCTB-CQSZACIVSA-N 2 0 298.434 2.607 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273032764 192026500 /nfs/dbraw/zinc/02/65/00/192026500.db2.gz UTSGVWLCOJQNLL-VYDXJSESSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)CC[N@@H+]1C ZINC000127751027 187331273 /nfs/dbraw/zinc/33/12/73/187331273.db2.gz LWHVNCWKBVVZKF-WFASDCNBSA-N 2 0 289.398 2.922 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1C ZINC000273054853 192031501 /nfs/dbraw/zinc/03/15/01/192031501.db2.gz KHZKHBSAMQVRET-ZIAGYGMSSA-N 2 0 264.413 2.994 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1O ZINC000290003355 197558677 /nfs/dbraw/zinc/55/86/77/197558677.db2.gz ZDBQGAJKVPWAHJ-ZDUSSCGKSA-N 2 0 292.423 2.783 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccn(C)c2)c1 ZINC000125001029 187165297 /nfs/dbraw/zinc/16/52/97/187165297.db2.gz AAGHUTYHBZGNLD-UHFFFAOYSA-N 2 0 271.408 2.767 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1C ZINC000273086370 192038542 /nfs/dbraw/zinc/03/85/42/192038542.db2.gz QJGHKONWQYLBAG-ZDUSSCGKSA-N 2 0 250.386 2.606 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CSCCF)C[NH+]1CCCCC1 ZINC000595010393 349548033 /nfs/dbraw/zinc/54/80/33/349548033.db2.gz BTWVCDDUHDDKAP-KBPBESRZSA-N 2 0 276.465 2.789 20 0 CFADRP C[C@H](CSCCF)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000595033743 349557532 /nfs/dbraw/zinc/55/75/32/349557532.db2.gz SXKDFUQPYJQMTD-CYBMUJFWSA-N 2 0 276.465 2.789 20 0 CFADRP CCCCOc1ccc(C[NH2+]CCC[NH2+]C)cc1 ZINC000083383776 178387196 /nfs/dbraw/zinc/38/71/96/178387196.db2.gz BZNFPOSPRYQIOM-UHFFFAOYSA-N 2 0 250.386 2.565 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2(CSC)CC2)[C@@H](C)C1 ZINC000595064624 349572426 /nfs/dbraw/zinc/57/24/26/349572426.db2.gz DBBIHKWEURWVID-KBPBESRZSA-N 2 0 270.486 2.840 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000595096089 349580305 /nfs/dbraw/zinc/58/03/05/349580305.db2.gz ZWAHDBMGHCLMAD-BFHYXJOUSA-N 2 0 268.470 2.735 20 0 CFADRP Fc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127810123 187335058 /nfs/dbraw/zinc/33/50/58/187335058.db2.gz DDNRPQRMLPLOEU-HZPDHXFCSA-N 2 0 262.372 2.585 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000359428779 293090242 /nfs/dbraw/zinc/09/02/42/293090242.db2.gz HSZHHRRHTUOREV-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000096950578 185138484 /nfs/dbraw/zinc/13/84/84/185138484.db2.gz DIEWGFQBJDGSLM-QGZVFWFLSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000125473535 187186755 /nfs/dbraw/zinc/18/67/55/187186755.db2.gz AIOYJPGCCCQCFH-CYBMUJFWSA-N 2 0 290.407 2.798 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423179246 529495736 /nfs/dbraw/zinc/49/57/36/529495736.db2.gz JKCDFJHXPZYYJJ-MXWKQRLJSA-N 2 0 252.324 2.695 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000070169555 346906259 /nfs/dbraw/zinc/90/62/59/346906259.db2.gz BOWQHSADXYFYAR-LBPRGKRZSA-N 2 0 252.427 2.871 20 0 CFADRP CCOc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000070183694 346907159 /nfs/dbraw/zinc/90/71/59/346907159.db2.gz HCLPFNZUXSJXSF-UHFFFAOYSA-N 2 0 262.397 2.646 20 0 CFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414795194 529540663 /nfs/dbraw/zinc/54/06/63/529540663.db2.gz MVJFNCWMVNQPTK-GJZGRUSLSA-N 2 0 294.439 2.598 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415019840 529567888 /nfs/dbraw/zinc/56/78/88/529567888.db2.gz WQRBSLOMOIYOIM-ZDUSSCGKSA-N 2 0 264.413 2.865 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414997377 529568236 /nfs/dbraw/zinc/56/82/36/529568236.db2.gz HFXPXGWVCIHIRG-XJKSGUPXSA-N 2 0 276.424 2.865 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccc1OC ZINC000423243036 529606254 /nfs/dbraw/zinc/60/62/54/529606254.db2.gz GCHKWHJTSMZIIL-HIFRSBDPSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000162754065 529597074 /nfs/dbraw/zinc/59/70/74/529597074.db2.gz DZRGQQOSIRVQPX-MSOLQXFVSA-N 2 0 290.451 2.913 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000162754319 529597556 /nfs/dbraw/zinc/59/75/56/529597556.db2.gz DZRGQQOSIRVQPX-ROUUACIJSA-N 2 0 290.451 2.913 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000422835358 529615476 /nfs/dbraw/zinc/61/54/76/529615476.db2.gz ILXXLMOSZNGWLR-QGZVFWFLSA-N 2 0 292.467 2.870 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000423269894 529617600 /nfs/dbraw/zinc/61/76/00/529617600.db2.gz HGYAPHIUTZERKQ-DOMZBBRYSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000423282450 529617989 /nfs/dbraw/zinc/61/79/89/529617989.db2.gz WOWKVYXQRDQBJT-OCCSQVGLSA-N 2 0 280.412 2.600 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000423108752 529656466 /nfs/dbraw/zinc/65/64/66/529656466.db2.gz ROLHBUGDLHNVBJ-CABCVRRESA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423509897 529660332 /nfs/dbraw/zinc/66/03/32/529660332.db2.gz OVJZBPNCXQMSLH-MAZHCROVSA-N 2 0 290.407 2.641 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(OC)c(OC)c1 ZINC000423102379 529664580 /nfs/dbraw/zinc/66/45/80/529664580.db2.gz KCEHCXKCHWKDIL-OCCSQVGLSA-N 2 0 280.412 2.872 20 0 CFADRP CC[C@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422798961 529671771 /nfs/dbraw/zinc/67/17/71/529671771.db2.gz UKWYOOXYDKGZEW-OKZBNKHCSA-N 2 0 293.499 2.761 20 0 CFADRP c1cc(C[NH2+]CC2=CCCOC2)cc(C[NH+]2CCCC2)c1 ZINC000126344358 187233054 /nfs/dbraw/zinc/23/30/54/187233054.db2.gz HJLQFSOTOXEIQN-UHFFFAOYSA-N 2 0 286.419 2.719 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126631334 187252131 /nfs/dbraw/zinc/25/21/31/187252131.db2.gz VLCMMBIQHPYSFB-XOKHGSTOSA-N 2 0 274.408 2.540 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)C[NH+]1CCCC1 ZINC000126725723 187257679 /nfs/dbraw/zinc/25/76/79/187257679.db2.gz AGAQOFAHJVXDKA-CABCVRRESA-N 2 0 276.424 2.645 20 0 CFADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cs1 ZINC000295013595 199299503 /nfs/dbraw/zinc/29/95/03/199299503.db2.gz ZMAIGLRNOCNFTR-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000423253346 529728867 /nfs/dbraw/zinc/72/88/67/529728867.db2.gz VUEDDIJXHDZGIN-ZYHUDNBSSA-N 2 0 267.442 2.664 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423251147 529747879 /nfs/dbraw/zinc/74/78/79/529747879.db2.gz RLCYBWHHBMSWGU-VXGBXAGGSA-N 2 0 279.453 2.672 20 0 CFADRP CCc1ncc(C[NH2+][C@@H](C)CCC[NH+](CC)CC)cn1 ZINC000414249478 529756487 /nfs/dbraw/zinc/75/64/87/529756487.db2.gz WHYFXZPAQMERJI-AWEZNQCLSA-N 2 0 278.444 2.639 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000219318822 539331174 /nfs/dbraw/zinc/33/11/74/539331174.db2.gz YMWHKTQHYHBHSB-OAGGEKHMSA-N 2 0 270.461 2.615 20 0 CFADRP C[C@H]1C[C@H](N(C)CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000295069444 199328630 /nfs/dbraw/zinc/32/86/30/199328630.db2.gz QBZCIKDGYMSRAK-FUHWJXTLSA-N 2 0 289.467 2.533 20 0 CFADRP Cc1ccc(NC(=O)CCCC[NH+](C)C)c(C[NH+](C)C)c1 ZINC000073129081 346962508 /nfs/dbraw/zinc/96/25/08/346962508.db2.gz ALBMWBGUKVPMLE-UHFFFAOYSA-N 2 0 291.439 2.727 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)N1CCC(C)CC1 ZINC000348088752 539368132 /nfs/dbraw/zinc/36/81/32/539368132.db2.gz SYRKICOPAFWAFK-KBMXLJTQSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000422702930 529917985 /nfs/dbraw/zinc/91/79/85/529917985.db2.gz LUCWZEKKMWPYJY-QZTJIDSGSA-N 2 0 287.451 2.985 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000128122600 187353320 /nfs/dbraw/zinc/35/33/20/187353320.db2.gz VSFGBIGEBXCKTL-BZUAXINKSA-N 2 0 294.826 2.590 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000414671660 529958834 /nfs/dbraw/zinc/95/88/34/529958834.db2.gz MOFZHAAYEPEXSE-IRXDYDNUSA-N 2 0 258.409 2.722 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348108081 539386433 /nfs/dbraw/zinc/38/64/33/539386433.db2.gz WUKYFXSPUGBLDZ-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000415139481 529964771 /nfs/dbraw/zinc/96/47/71/529964771.db2.gz XBWJDEJPHHNRMP-UHFFFAOYSA-N 2 0 257.381 2.585 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423200094 529971193 /nfs/dbraw/zinc/97/11/93/529971193.db2.gz LQSXCWOIRDLWSZ-JTQLQIEISA-N 2 0 288.338 2.557 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000414860942 529971238 /nfs/dbraw/zinc/97/12/38/529971238.db2.gz QWIFMQPAAASACQ-CQSZACIVSA-N 2 0 291.439 2.726 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414844960 529985382 /nfs/dbraw/zinc/98/53/82/529985382.db2.gz RYPDDIQFEXDUQO-SECBINFHSA-N 2 0 278.293 2.790 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423268320 529985510 /nfs/dbraw/zinc/98/55/10/529985510.db2.gz FYYLFUCPZLFLSP-MNOVXSKESA-N 2 0 285.229 2.955 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000423284352 529985526 /nfs/dbraw/zinc/98/55/26/529985526.db2.gz YDXIXSKLPSDKDA-YPMHNXCESA-N 2 0 280.412 2.518 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000423284350 529986236 /nfs/dbraw/zinc/98/62/36/529986236.db2.gz YDXIXSKLPSDKDA-DGCLKSJQSA-N 2 0 280.412 2.518 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423269905 529986288 /nfs/dbraw/zinc/98/62/88/529986288.db2.gz HHWWYXYRGIQZLV-ZIAGYGMSSA-N 2 0 264.413 2.980 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414849746 529999506 /nfs/dbraw/zinc/99/95/06/529999506.db2.gz YMPFTZHAHDBOKX-QWHCGFSZSA-N 2 0 252.377 2.592 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000273207613 192074468 /nfs/dbraw/zinc/07/44/68/192074468.db2.gz KZJJBOWWACFYQA-CYBMUJFWSA-N 2 0 291.439 2.853 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414497327 530042685 /nfs/dbraw/zinc/04/26/85/530042685.db2.gz SOPMVIPIXRTGNR-QWRGUYRKSA-N 2 0 268.405 2.812 20 0 CFADRP C[C@@H]([NH2+]C1CC=CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121985218 539447867 /nfs/dbraw/zinc/44/78/67/539447867.db2.gz GLBIAZYKRQQHGE-CQSZACIVSA-N 2 0 274.408 2.996 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)ccc2n1 ZINC000097862713 232182145 /nfs/dbraw/zinc/18/21/45/232182145.db2.gz FKDHNFDICAEESB-SUMWQHHRSA-N 2 0 283.419 2.960 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000149229427 232212776 /nfs/dbraw/zinc/21/27/76/232212776.db2.gz QEXCFNZIPNBMSM-HNNXBMFYSA-N 2 0 280.843 2.985 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000152866813 232219270 /nfs/dbraw/zinc/21/92/70/232219270.db2.gz CSIIWJKACWFGSR-QWHCGFSZSA-N 2 0 292.398 2.969 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc(C)c1O ZINC000668431611 539480776 /nfs/dbraw/zinc/48/07/76/539480776.db2.gz AQDYODPSGLKBLN-HNNXBMFYSA-N 2 0 276.424 2.971 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123976653 539514028 /nfs/dbraw/zinc/51/40/28/539514028.db2.gz SNHGISWJTVMBAL-CQSZACIVSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H]1C[NH+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](C)S1 ZINC000123984557 539514102 /nfs/dbraw/zinc/51/41/02/539514102.db2.gz SLHCPLWPFXZIIM-CHWSQXEVSA-N 2 0 276.449 2.658 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123976841 539514112 /nfs/dbraw/zinc/51/41/12/539514112.db2.gz SNHGISWJTVMBAL-AWEZNQCLSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCC12CCC2 ZINC000668475956 539519168 /nfs/dbraw/zinc/51/91/68/539519168.db2.gz SZLJAJCZCZHZGQ-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1OC ZINC000423336183 282450597 /nfs/dbraw/zinc/45/05/97/282450597.db2.gz JOTJGJDVDBMYIO-ILXRZTDVSA-N 2 0 268.445 2.559 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1OC ZINC000423543558 282457542 /nfs/dbraw/zinc/45/75/42/282457542.db2.gz NDCDJZPGRSKRJY-QCODTGAPSA-N 2 0 280.456 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000037644579 346332777 /nfs/dbraw/zinc/33/27/77/346332777.db2.gz OMIQCPSRXMBZTO-LSDHHAIUSA-N 2 0 276.424 2.996 20 0 CFADRP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037904819 346336050 /nfs/dbraw/zinc/33/60/50/346336050.db2.gz BZKKXPYAYAXYAZ-GFCCVEGCSA-N 2 0 264.438 2.884 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000596652425 349969476 /nfs/dbraw/zinc/96/94/76/349969476.db2.gz UHBNJBFATZONPW-STQMWFEESA-N 2 0 256.459 2.769 20 0 CFADRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000066243328 346751206 /nfs/dbraw/zinc/75/12/06/346751206.db2.gz SNJZMDUWOZRBIN-KGLIPLIRSA-N 2 0 274.412 2.743 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]CC(C)(C)C)c1 ZINC000066973360 346787926 /nfs/dbraw/zinc/78/79/26/346787926.db2.gz VFBOHARQZHKIQW-UHFFFAOYSA-N 2 0 264.413 2.763 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000414960984 282516785 /nfs/dbraw/zinc/51/67/85/282516785.db2.gz HOVVWLHVLXRZCH-HOTGVXAUSA-N 2 0 278.827 2.929 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC000085823893 179183953 /nfs/dbraw/zinc/18/39/53/179183953.db2.gz PWXUQIZEENQMER-KRWDZBQOSA-N 2 0 289.467 2.787 20 0 CFADRP C(C[NH+]1CCCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000077173227 347171192 /nfs/dbraw/zinc/17/11/92/347171192.db2.gz UWZYCWOOBOXWDV-UHFFFAOYSA-N 2 0 293.499 2.670 20 0 CFADRP C[C@H](O)CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080202718 347349410 /nfs/dbraw/zinc/34/94/10/347349410.db2.gz MTQOGCLSRPGWDR-HNNXBMFYSA-N 2 0 278.440 2.505 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000079492093 347306447 /nfs/dbraw/zinc/30/64/47/347306447.db2.gz GGEYQBKBDLASAJ-KRWDZBQOSA-N 2 0 294.414 2.523 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000086332657 347484868 /nfs/dbraw/zinc/48/48/68/347484868.db2.gz IUMGHZDBUQLRHZ-SNVBAGLBSA-N 2 0 258.818 2.833 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087046443 347490688 /nfs/dbraw/zinc/49/06/88/347490688.db2.gz PPKSTWCJQSFXLE-ILXRZTDVSA-N 2 0 282.472 2.636 20 0 CFADRP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000086249697 179254920 /nfs/dbraw/zinc/25/49/20/179254920.db2.gz LRULIRIJJGQFET-UHFFFAOYSA-N 2 0 269.392 2.900 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000091335700 347582926 /nfs/dbraw/zinc/58/29/26/347582926.db2.gz WUIWEKLYCJNEPF-HOCLYGCPSA-N 2 0 261.413 2.710 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000091335706 347583154 /nfs/dbraw/zinc/58/31/54/347583154.db2.gz WUIWEKLYCJNEPF-GDBMZVCRSA-N 2 0 261.413 2.710 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1OC ZINC000090461410 347549352 /nfs/dbraw/zinc/54/93/52/347549352.db2.gz YSPWPYRSTOKVAY-FPCVCCKLSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000094010735 347689815 /nfs/dbraw/zinc/68/98/15/347689815.db2.gz JLZFRBOJGGBUIC-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP CCC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401026246 282554049 /nfs/dbraw/zinc/55/40/49/282554049.db2.gz NRVRYGXTINXLAN-FSXGRMEGSA-N 2 0 250.430 2.933 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094424205 347695626 /nfs/dbraw/zinc/69/56/26/347695626.db2.gz LUOCJKANNWZYCU-CQSZACIVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000093211542 347665246 /nfs/dbraw/zinc/66/52/46/347665246.db2.gz VVFGQMDNJQEIHS-USWWRNFRSA-N 2 0 254.324 2.885 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093209485 347665728 /nfs/dbraw/zinc/66/57/28/347665728.db2.gz SDPKWVZVNKPADT-OKZBNKHCSA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)(C)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000105495362 347729470 /nfs/dbraw/zinc/72/94/70/347729470.db2.gz BUUWZFYVYFYRSA-UHFFFAOYSA-N 2 0 290.451 2.779 20 0 CFADRP Cc1nc(C[NH2+]CCCC[NH+]2CCC(C)CC2)[nH]c1C ZINC000563976412 290188087 /nfs/dbraw/zinc/18/80/87/290188087.db2.gz UZCIQJUAVNFGPZ-UHFFFAOYSA-N 2 0 278.444 2.628 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000396462124 539579797 /nfs/dbraw/zinc/57/97/97/539579797.db2.gz QHNNJZYWJXNBHJ-PXAZEXFGSA-N 2 0 273.424 2.576 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000131511588 347878910 /nfs/dbraw/zinc/87/89/10/347878910.db2.gz CNRMBKSRPIBUFZ-WFASDCNBSA-N 2 0 255.365 2.546 20 0 CFADRP CCOC(=O)CC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000131603100 347879388 /nfs/dbraw/zinc/87/93/88/347879388.db2.gz IJXBUQAKZNRIQD-CVEARBPZSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150305564 347956615 /nfs/dbraw/zinc/95/66/15/347956615.db2.gz UXKSKSDBIJIGKK-GXFFZTMASA-N 2 0 254.324 2.936 20 0 CFADRP C([C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC000150799816 347957343 /nfs/dbraw/zinc/95/73/43/347957343.db2.gz FLMWTTWXMPYZAI-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000154774293 347982632 /nfs/dbraw/zinc/98/26/32/347982632.db2.gz ZIUFMIWICOIBCV-UKRRQHHQSA-N 2 0 270.486 2.982 20 0 CFADRP CCc1cnc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000130380971 539598181 /nfs/dbraw/zinc/59/81/81/539598181.db2.gz UODBTMZYVQPWBW-GFCCVEGCSA-N 2 0 281.469 2.568 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000225272964 348176764 /nfs/dbraw/zinc/17/67/64/348176764.db2.gz RXFQMMLCYRTUBX-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000223729456 348175203 /nfs/dbraw/zinc/17/52/03/348175203.db2.gz HMXBJXKDUJJPCL-AEGPPILISA-N 2 0 270.486 2.981 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000226346075 348182852 /nfs/dbraw/zinc/18/28/52/348182852.db2.gz MYKREXBSVDUNPZ-UWVGGRQHSA-N 2 0 258.818 2.804 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237120090 348238570 /nfs/dbraw/zinc/23/85/70/348238570.db2.gz HDFGXMRRCTVASN-MRXNPFEDSA-N 2 0 297.402 2.825 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246823577 348266661 /nfs/dbraw/zinc/26/66/61/348266661.db2.gz BHJLERGFCSBLTI-CWQOZTLDSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1F ZINC000104142167 185910380 /nfs/dbraw/zinc/91/03/80/185910380.db2.gz SRVAJAIHIKNCQO-LBPRGKRZSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000124968983 539620874 /nfs/dbraw/zinc/62/08/74/539620874.db2.gz ZAVHQTWJZZCPHW-ZDUSSCGKSA-N 2 0 259.397 2.686 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000313854719 348423747 /nfs/dbraw/zinc/42/37/47/348423747.db2.gz GWBYQVZQSMVDKT-UHFFFAOYSA-N 2 0 290.455 2.596 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401021453 348576528 /nfs/dbraw/zinc/57/65/28/348576528.db2.gz RCBSYNKXKBQAPL-APIJFGDWSA-N 2 0 262.397 2.578 20 0 CFADRP C[C@H]([NH2+]CC1(C2CC2)CCC1)C1CC[NH+](C)CC1 ZINC000090724396 539655883 /nfs/dbraw/zinc/65/58/83/539655883.db2.gz GLWVCVVCPGCOEG-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C1CCOCC1 ZINC000090668789 539655996 /nfs/dbraw/zinc/65/59/96/539655996.db2.gz BLKSNMVLPCDZRL-HLIUYOAVSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000584774779 348714931 /nfs/dbraw/zinc/71/49/31/348714931.db2.gz MIHSNABZMLVDQB-CFVMTHIKSA-N 2 0 291.443 2.533 20 0 CFADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000126017415 539661260 /nfs/dbraw/zinc/66/12/60/539661260.db2.gz LZXFOOINBZHYJX-GDBMZVCRSA-N 3 0 283.504 2.673 20 0 CFADRP COC1(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCCCC1 ZINC000319531659 539681326 /nfs/dbraw/zinc/68/13/26/539681326.db2.gz AMXMSJIPSKMXLG-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)C[NH+](C)C ZINC000666139706 539683904 /nfs/dbraw/zinc/68/39/04/539683904.db2.gz ZBKPPSMIOTUMMK-GXTWGEPZSA-N 2 0 280.843 2.985 20 0 CFADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397663074 539701960 /nfs/dbraw/zinc/70/19/60/539701960.db2.gz HJPQHJSOSCZJGN-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591869475 349052542 /nfs/dbraw/zinc/05/25/42/349052542.db2.gz YPIKASOVLIGZAS-HIFRSBDPSA-N 2 0 256.353 2.676 20 0 CFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000591869117 349052948 /nfs/dbraw/zinc/05/29/48/349052948.db2.gz KOMGINPTYQATMK-QGZVFWFLSA-N 2 0 298.390 2.679 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccn(C)n1 ZINC000414069890 233159548 /nfs/dbraw/zinc/15/95/48/233159548.db2.gz KSJNMWKPYBKQNC-OAGGEKHMSA-N 2 0 292.471 2.829 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)c1 ZINC000414071355 233160086 /nfs/dbraw/zinc/16/00/86/233160086.db2.gz KNMJAZOMFXTUAE-KGLIPLIRSA-N 2 0 264.413 2.994 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414161396 233183436 /nfs/dbraw/zinc/18/34/36/233183436.db2.gz BUKXQQTVHJFZJK-CYBMUJFWSA-N 2 0 266.348 2.889 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414173779 233187290 /nfs/dbraw/zinc/18/72/90/233187290.db2.gz GCECWCHIQHEFIT-CABCVRRESA-N 2 0 261.413 2.773 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)ccc12 ZINC000414177169 233188159 /nfs/dbraw/zinc/18/81/59/233188159.db2.gz IALGQCGXXFCIBZ-ZACQAIPSSA-N 2 0 297.402 2.772 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)(C)C ZINC000592471137 349126282 /nfs/dbraw/zinc/12/62/82/349126282.db2.gz ZIGGGQFMWQOUFS-XJFOESAGSA-N 2 0 270.486 2.742 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C(=O)OC)cc1 ZINC000593318146 349246779 /nfs/dbraw/zinc/24/67/79/349246779.db2.gz AAZLXHZLLCYFGO-OAHLLOKOSA-N 2 0 290.407 2.643 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739157 539741591 /nfs/dbraw/zinc/74/15/91/539741591.db2.gz JLSWSKSBBNMPRD-JQHSSLGASA-N 2 0 292.467 2.510 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000597247899 350071784 /nfs/dbraw/zinc/07/17/84/350071784.db2.gz HYPYDPCOSHJTHH-LSDHHAIUSA-N 2 0 268.470 2.592 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000090720968 180032196 /nfs/dbraw/zinc/03/21/96/180032196.db2.gz BAYJCRDPEXRCTP-CZUORRHYSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000090720230 180030634 /nfs/dbraw/zinc/03/06/34/180030634.db2.gz YKDZKHUDPFOHPZ-RISCZKNCSA-N 2 0 252.789 2.912 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414664949 233318187 /nfs/dbraw/zinc/31/81/87/233318187.db2.gz DBTGCHGGQSDKHP-LAVFITLUSA-N 2 0 272.436 2.924 20 0 CFADRP Cc1ccccc1N1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414677790 233322874 /nfs/dbraw/zinc/32/28/74/233322874.db2.gz JRSSVWRQSHYQMN-DLBZAZTESA-N 2 0 287.451 2.505 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000414682731 233325359 /nfs/dbraw/zinc/32/53/59/233325359.db2.gz RVDDYMHEFKBMHS-NEPJUHHUSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCS[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000414704102 233332930 /nfs/dbraw/zinc/33/29/30/233332930.db2.gz KFKGYPKUWATBOV-TUVASFSCSA-N 2 0 268.470 2.735 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091539266 180183222 /nfs/dbraw/zinc/18/32/22/180183222.db2.gz WVCCWEKMCIXKHS-CABCVRRESA-N 2 0 289.423 2.594 20 0 CFADRP CC(C)COc1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC000564968773 290253688 /nfs/dbraw/zinc/25/36/88/290253688.db2.gz DMPZQDBLHGPHGR-UHFFFAOYSA-N 2 0 250.386 2.502 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414803269 233357132 /nfs/dbraw/zinc/35/71/32/233357132.db2.gz NMLSAMMRVSCUCK-UKRRQHHQSA-N 2 0 285.391 2.548 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414776743 233347895 /nfs/dbraw/zinc/34/78/95/233347895.db2.gz HPMFBLVNKMTRDE-DLBZAZTESA-N 2 0 288.435 2.907 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776745 233348213 /nfs/dbraw/zinc/34/82/13/233348213.db2.gz HPMFBLVNKMTRDE-IAGOWNOFSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414777313 233348961 /nfs/dbraw/zinc/34/89/61/233348961.db2.gz HZSFALWWQVVJLW-IRXDYDNUSA-N 2 0 258.409 2.817 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1CCC2 ZINC000414782310 233349686 /nfs/dbraw/zinc/34/96/86/233349686.db2.gz OJNGGKVPXCJXCQ-RTBURBONSA-N 2 0 284.447 2.997 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414779921 233349979 /nfs/dbraw/zinc/34/99/79/233349979.db2.gz KXKLXVBRLLSHHE-KGLIPLIRSA-N 2 0 291.464 2.842 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414787129 233351299 /nfs/dbraw/zinc/35/12/99/233351299.db2.gz VAABZGPNQSRURK-HUUCEWRRSA-N 2 0 276.399 2.956 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414791629 233352502 /nfs/dbraw/zinc/35/25/02/233352502.db2.gz ICHQQMBCQVUKTE-SMDDNHRTSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414790472 233352568 /nfs/dbraw/zinc/35/25/68/233352568.db2.gz GRMAQGLVIGJPSW-GXTWGEPZSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000414845213 233376234 /nfs/dbraw/zinc/37/62/34/233376234.db2.gz LVROFZRJSGIVTN-BBWFWOEESA-N 2 0 258.409 2.838 20 0 CFADRP Cc1cccc2ncc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)n21 ZINC000414805553 233358296 /nfs/dbraw/zinc/35/82/96/233358296.db2.gz GLQLEFZIYMCFBC-AWEZNQCLSA-N 2 0 294.402 2.952 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414803796 233358860 /nfs/dbraw/zinc/35/88/60/233358860.db2.gz OCGNNFBSQBZPEK-SJLPKXTDSA-N 2 0 281.403 2.966 20 0 CFADRP CCn1nc(C)c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000414806786 233360063 /nfs/dbraw/zinc/36/00/63/233360063.db2.gz IGZSFRDWUIWNLN-GFCCVEGCSA-N 2 0 286.423 2.829 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000414819954 233365539 /nfs/dbraw/zinc/36/55/39/233365539.db2.gz ZZNGHGTZXBIALQ-YPMHNXCESA-N 2 0 250.411 2.549 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414824668 233366796 /nfs/dbraw/zinc/36/67/96/233366796.db2.gz RFJAZJXHMKPYPR-ZDUSSCGKSA-N 2 0 255.365 2.576 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000414825051 233367101 /nfs/dbraw/zinc/36/71/01/233367101.db2.gz RWEIHEVDHSAJGF-JQWIXIFHSA-N 2 0 270.779 2.957 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1Cl ZINC000414824585 233367309 /nfs/dbraw/zinc/36/73/09/233367309.db2.gz QYBIJOXXNITYES-RYUDHWBXSA-N 2 0 297.830 2.692 20 0 CFADRP Fc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000414826735 233368137 /nfs/dbraw/zinc/36/81/37/233368137.db2.gz GBWSRZNBDVTKHB-JTQLQIEISA-N 2 0 290.304 2.934 20 0 CFADRP c1cc(-c2ncc(C[NH2+]C[C@H]3CCC[NH2+]C3)s2)cs1 ZINC000414829108 233369237 /nfs/dbraw/zinc/36/92/37/233369237.db2.gz NCFUMRUITDYUNM-NSHDSACASA-N 2 0 293.461 2.961 20 0 CFADRP C[C@H](C[NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000414828229 233369661 /nfs/dbraw/zinc/36/96/61/233369661.db2.gz IMRKMUDATNISIK-CHWSQXEVSA-N 2 0 250.361 2.518 20 0 CFADRP FC(F)[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414831703 233369960 /nfs/dbraw/zinc/36/99/60/233369960.db2.gz NOQQOYNHTDDWMP-GJZGRUSLSA-N 2 0 282.378 2.842 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414834412 233371736 /nfs/dbraw/zinc/37/17/36/233371736.db2.gz QRIUBUKFYGKPBJ-JSGCOSHPSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H]1CCc2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000414832582 233372016 /nfs/dbraw/zinc/37/20/16/233372016.db2.gz FFUCIORWUGFMKH-STQMWFEESA-N 2 0 293.480 2.747 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835875 233372688 /nfs/dbraw/zinc/37/26/88/233372688.db2.gz RZXMSZOFKKMQLC-HIFRSBDPSA-N 2 0 264.388 2.736 20 0 CFADRP Clc1cc2c(c(C[NH2+]CC[C@H]3CCC[NH2+]C3)c1)OCC2 ZINC000414836483 233372969 /nfs/dbraw/zinc/37/29/69/233372969.db2.gz JLBLQKJRZCBKBM-GFCCVEGCSA-N 2 0 294.826 2.754 20 0 CFADRP c1nc(-c2ccccc2)sc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414842186 233375198 /nfs/dbraw/zinc/37/51/98/233375198.db2.gz YSDMJPTVPUMZCC-CYBMUJFWSA-N 2 0 287.432 2.899 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414869233 233384630 /nfs/dbraw/zinc/38/46/30/233384630.db2.gz AIOOWBGSXSJMAV-NWDGAFQWSA-N 2 0 286.366 2.794 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000414876572 233387030 /nfs/dbraw/zinc/38/70/30/233387030.db2.gz LQGPPYCDCWLZAN-HOTGVXAUSA-N 2 0 258.409 2.869 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414875991 233387312 /nfs/dbraw/zinc/38/73/12/233387312.db2.gz KQCBUMNCRIMZEQ-NXEZZACHSA-N 2 0 260.834 2.907 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(Cl)c1 ZINC000414880041 233387640 /nfs/dbraw/zinc/38/76/40/233387640.db2.gz QKKKJYCOAMDORX-VXGBXAGGSA-N 2 0 297.830 2.550 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH3+])c(OC(F)F)cc1C ZINC000414880933 233388614 /nfs/dbraw/zinc/38/86/14/233388614.db2.gz RKJHMCSZLDZJDB-SECBINFHSA-N 2 0 272.339 2.589 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C1 ZINC000414885058 233389333 /nfs/dbraw/zinc/38/93/33/233389333.db2.gz GAHYXHSHJHGQFJ-BBWFWOEESA-N 2 0 258.409 2.824 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414898756 233392448 /nfs/dbraw/zinc/39/24/48/233392448.db2.gz BYDGMFAYRLBBSH-BBRMVZONSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[NH3+])c(Cl)c1 ZINC000414900320 233392638 /nfs/dbraw/zinc/39/26/38/233392638.db2.gz HAUMLOHFDAXGFO-LBPRGKRZSA-N 2 0 297.830 2.694 20 0 CFADRP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(-c2ccncc2)c1 ZINC000414899000 233392779 /nfs/dbraw/zinc/39/27/79/233392779.db2.gz BRFJWAHJZSGYAI-GOSISDBHSA-N 2 0 281.403 2.980 20 0 CFADRP C[C@@]1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000414904770 233393966 /nfs/dbraw/zinc/39/39/66/233393966.db2.gz KPDALRISGOHBFN-ICTCPBKTSA-N 2 0 280.362 2.957 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414921786 233399175 /nfs/dbraw/zinc/39/91/75/233399175.db2.gz FWFRQHISZASWKG-NEPJUHHUSA-N 2 0 270.323 2.648 20 0 CFADRP FC(F)Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414855976 233379414 /nfs/dbraw/zinc/37/94/14/233379414.db2.gz XWLPRDSHVPDZTM-GFCCVEGCSA-N 2 0 284.350 2.767 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000414857195 233379992 /nfs/dbraw/zinc/37/99/92/233379992.db2.gz PCBUJAULQZHFQI-YPMHNXCESA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414968810 233419811 /nfs/dbraw/zinc/41/98/11/233419811.db2.gz YMPAKCUCDBCKIH-HKHQAYBLSA-N 2 0 266.335 2.566 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)CC1(C)C ZINC000598966420 350351235 /nfs/dbraw/zinc/35/12/35/350351235.db2.gz XBMXBHVFRKIHBN-ZDUSSCGKSA-N 2 0 284.444 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)CC1(C)C ZINC000598974588 350352336 /nfs/dbraw/zinc/35/23/36/350352336.db2.gz QMTZNDWGZLXHRZ-JTQLQIEISA-N 2 0 284.391 2.744 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415047373 233446129 /nfs/dbraw/zinc/44/61/29/233446129.db2.gz VZUNJKHHHMTUGX-DGCLKSJQSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000415075384 233457550 /nfs/dbraw/zinc/45/75/50/233457550.db2.gz DZOKXXBBEFMDEU-NFOMZHRRSA-N 2 0 262.397 2.622 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000253290700 282693472 /nfs/dbraw/zinc/69/34/72/282693472.db2.gz QAEJOXDJOZCVLY-RCCFBDPRSA-N 3 0 293.499 2.619 20 0 CFADRP CCC[C@@H](C)CCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000599294194 350408353 /nfs/dbraw/zinc/40/83/53/350408353.db2.gz CNXLALNPSRIIQT-MSOLQXFVSA-N 2 0 295.515 2.915 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000092345922 180366441 /nfs/dbraw/zinc/36/64/41/180366441.db2.gz WJIVRVRYWHWGBL-HNNXBMFYSA-N 2 0 283.419 2.975 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081637825 282695796 /nfs/dbraw/zinc/69/57/96/282695796.db2.gz ZLJPONKTNSZCPG-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP COCc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381071 180371449 /nfs/dbraw/zinc/37/14/49/180371449.db2.gz XVTYBUUSUHHSCZ-UHFFFAOYSA-N 2 0 290.451 2.997 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000106410218 186115261 /nfs/dbraw/zinc/11/52/61/186115261.db2.gz STRGFLFJHDEGEE-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600174064 350531183 /nfs/dbraw/zinc/53/11/83/350531183.db2.gz KFPJQZOXAFVRHE-GRDNDAEWSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000600176367 350531970 /nfs/dbraw/zinc/53/19/70/350531970.db2.gz LTDRXADFIOIODW-CABCVRRESA-N 2 0 298.471 2.815 20 0 CFADRP COc1cc(CN2CCC([NH+](C)C)CC2)ccc1SC ZINC000109377865 186250602 /nfs/dbraw/zinc/25/06/02/186250602.db2.gz YAIYNWAHIKXVKE-UHFFFAOYSA-N 2 0 294.464 2.943 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000111237153 186373408 /nfs/dbraw/zinc/37/34/08/186373408.db2.gz DOKQZAQCTPIXIZ-NSHDSACASA-N 2 0 292.814 2.547 20 0 CFADRP C[C@@H]([NH2+]C1CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271425277 191129549 /nfs/dbraw/zinc/12/95/49/191129549.db2.gz CQYQVWFIEWNFSM-CYBMUJFWSA-N 2 0 262.397 2.830 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCCCC(=O)OC)CC1 ZINC000602952440 351071733 /nfs/dbraw/zinc/07/17/33/351071733.db2.gz ZTZGWURVCOIXOG-UHFFFAOYSA-N 2 0 296.455 2.670 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000565237945 290287240 /nfs/dbraw/zinc/28/72/40/290287240.db2.gz MNSLGYMIFBEIMB-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](c1ccncc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000607735060 351358115 /nfs/dbraw/zinc/35/81/15/351358115.db2.gz XEFVRHHPAAUKFZ-AWEZNQCLSA-N 2 0 261.413 2.806 20 0 CFADRP CCC(C)(C)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000608563630 351450255 /nfs/dbraw/zinc/45/02/55/351450255.db2.gz QIWRURCKKJRBGY-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120788557 186925599 /nfs/dbraw/zinc/92/55/99/186925599.db2.gz HGRQSZWKUYVYIQ-DZGCQCFKSA-N 2 0 295.496 2.591 20 0 CFADRP C[C@@H]([NH2+]CCSCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000611337534 351670194 /nfs/dbraw/zinc/67/01/94/351670194.db2.gz HBCNIYAEXLJRKI-SNVBAGLBSA-N 2 0 284.391 2.602 20 0 CFADRP CC(C)OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121799994 186996645 /nfs/dbraw/zinc/99/66/45/186996645.db2.gz BNLDVEXAGWTPCC-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1(C)CC1 ZINC000122379348 187029588 /nfs/dbraw/zinc/02/95/88/187029588.db2.gz DQAZKXGTTJVOCY-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000122698818 187046695 /nfs/dbraw/zinc/04/66/95/187046695.db2.gz OGFNWJQYSLIZOA-CYBMUJFWSA-N 2 0 290.455 2.866 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@H](C)C1 ZINC000122729113 187047944 /nfs/dbraw/zinc/04/79/44/187047944.db2.gz CTVDWWMUGZVSQR-OCCSQVGLSA-N 2 0 281.831 2.597 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccn(C)c2)C1 ZINC000123296976 187083287 /nfs/dbraw/zinc/08/32/87/187083287.db2.gz OAEAAEZUBGGTAA-OAHLLOKOSA-N 2 0 263.429 2.627 20 0 CFADRP CC[C@@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[NH+](C)C ZINC000614254625 352070343 /nfs/dbraw/zinc/07/03/43/352070343.db2.gz IHBXIRBYYYTFCW-INIZCTEOSA-N 2 0 298.390 2.526 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccs1 ZINC000271567409 191217192 /nfs/dbraw/zinc/21/71/92/191217192.db2.gz YDOZYEBMKFZENC-CFVMTHIKSA-N 2 0 294.464 2.777 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423447724 295852358 /nfs/dbraw/zinc/85/23/58/295852358.db2.gz ZYWQASMPCJVURS-STQMWFEESA-N 2 0 274.412 2.741 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000154487441 188144981 /nfs/dbraw/zinc/14/49/81/188144981.db2.gz MBQAUUKLFUKQEM-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000154298597 188133882 /nfs/dbraw/zinc/13/38/82/188133882.db2.gz SFBANTGVBZQINT-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP CCCc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)s1 ZINC000621356397 353335177 /nfs/dbraw/zinc/33/51/77/353335177.db2.gz LQQCGZQTAZQGSX-GFCCVEGCSA-N 2 0 254.443 2.988 20 0 CFADRP Cc1cccc(C[NH2+]CCC2CC[NH+](C)CC2)c1F ZINC000295179081 199390704 /nfs/dbraw/zinc/39/07/04/199390704.db2.gz MLJZJDSNUAOWPI-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000621779881 353423332 /nfs/dbraw/zinc/42/33/32/353423332.db2.gz KLKKMJGVMHXVGF-OIISXLGYSA-N 2 0 256.393 2.877 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000235700509 540002170 /nfs/dbraw/zinc/00/21/70/540002170.db2.gz NBOMZFHDXRNRIB-NVXWUHKLSA-N 2 0 293.499 2.594 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000292684021 198375663 /nfs/dbraw/zinc/37/56/63/198375663.db2.gz AWHROZUXIMESDN-YOEHRIQHSA-N 2 0 276.399 2.957 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000622003546 353463849 /nfs/dbraw/zinc/46/38/49/353463849.db2.gz BDAUKRLANXJENZ-YVSFHVDLSA-N 2 0 256.393 2.603 20 0 CFADRP [NH3+][C@@]12CCC[C@H]1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000622003543 353464046 /nfs/dbraw/zinc/46/40/46/353464046.db2.gz BDAUKRLANXJENZ-LUKYLMHMSA-N 2 0 256.393 2.603 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC1(F)F ZINC000622043882 353468633 /nfs/dbraw/zinc/46/86/33/353468633.db2.gz OOLJZHNZUMZESD-YUTCNCBUSA-N 2 0 268.351 2.580 20 0 CFADRP Cn1cncc1CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000623085863 353585089 /nfs/dbraw/zinc/58/50/89/353585089.db2.gz JYNIHDOSQBUDAE-IHWYPQMZSA-N 2 0 277.318 2.544 20 0 CFADRP CN(CCC[NH2+]Cc1ccc2ccccc2c1)CC[NH+](C)C ZINC000623088660 353586187 /nfs/dbraw/zinc/58/61/87/353586187.db2.gz YAWYGEANDIQTLV-UHFFFAOYSA-N 2 0 299.462 2.813 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623349185 353621237 /nfs/dbraw/zinc/62/12/37/353621237.db2.gz WBHOBKQXCWECJT-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623372939 353628028 /nfs/dbraw/zinc/62/80/28/353628028.db2.gz MHQXWHSAEYNFCE-HZPDHXFCSA-N 3 0 295.515 2.959 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC1(C)C ZINC000623383233 353631387 /nfs/dbraw/zinc/63/13/87/353631387.db2.gz JZHVPUDVUGFMJG-INIZCTEOSA-N 2 0 298.434 2.835 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000623399531 353634982 /nfs/dbraw/zinc/63/49/82/353634982.db2.gz PSRUMIHDSFXOTP-AWEZNQCLSA-N 2 0 294.414 2.839 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623409548 353636953 /nfs/dbraw/zinc/63/69/53/353636953.db2.gz GPWFELBWKFGOII-XHSDSOJGSA-N 2 0 281.488 2.712 20 0 CFADRP COC[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418134 353638711 /nfs/dbraw/zinc/63/87/11/353638711.db2.gz CWFPPNVYURXNNO-JKSUJKDBSA-N 2 0 276.424 2.837 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)CC1(C)C ZINC000623419278 353639904 /nfs/dbraw/zinc/63/99/04/353639904.db2.gz BLDKMNZZAXXBPX-INIZCTEOSA-N 2 0 288.435 2.626 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)CC1(C)C ZINC000623434443 353643878 /nfs/dbraw/zinc/64/38/78/353643878.db2.gz VLTDJTQYYPWZSA-AWEZNQCLSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCC[C@@H]2O)CC1(C)C ZINC000623454964 353649292 /nfs/dbraw/zinc/64/92/92/353649292.db2.gz VZXZQUBNXZRBOD-PMPSAXMXSA-N 2 0 282.472 2.780 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336084 353616394 /nfs/dbraw/zinc/61/63/94/353616394.db2.gz URMNQOYRIMYSJW-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623336066 353616638 /nfs/dbraw/zinc/61/66/38/353616638.db2.gz UBMXDBBSJVYNOX-OAHLLOKOSA-N 2 0 276.424 2.700 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623341736 353619093 /nfs/dbraw/zinc/61/90/93/353619093.db2.gz PMJCEEXSHOHMEA-CVEARBPZSA-N 2 0 281.488 2.713 20 0 CFADRP c1[nH]nc2cccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)c12 ZINC000623509327 353660354 /nfs/dbraw/zinc/66/03/54/353660354.db2.gz ZKUMOYGNPUGWQD-UHFFFAOYSA-N 2 0 284.407 2.527 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623527393 353664034 /nfs/dbraw/zinc/66/40/34/353664034.db2.gz RJXOZJJYNLNMDE-HUUCEWRRSA-N 2 0 269.477 2.569 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623536474 353666350 /nfs/dbraw/zinc/66/63/50/353666350.db2.gz WTIHAQGOODCBTF-IAGOWNOFSA-N 2 0 290.451 2.707 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623544054 353668241 /nfs/dbraw/zinc/66/82/41/353668241.db2.gz KKULERALTAAPOD-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP COCC1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623550175 353669337 /nfs/dbraw/zinc/66/93/37/353669337.db2.gz DRCIMLVTHLULES-NRXISQOPSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623562520 353672885 /nfs/dbraw/zinc/67/28/85/353672885.db2.gz USWBBUZXXCJQNO-KGLIPLIRSA-N 2 0 261.413 2.648 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCCO1 ZINC000623561653 353672993 /nfs/dbraw/zinc/67/29/93/353672993.db2.gz UHGGUOUBOHWSPO-SOUVJXGZSA-N 2 0 268.445 2.797 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623573494 353675020 /nfs/dbraw/zinc/67/50/20/353675020.db2.gz LABOTIISCLFWRO-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000623575154 353676573 /nfs/dbraw/zinc/67/65/73/353676573.db2.gz NCKGQSQLZJJSRB-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)CC1(C)C ZINC000623575188 353676656 /nfs/dbraw/zinc/67/66/56/353676656.db2.gz PAPPJIOYSZRASB-IRXDYDNUSA-N 2 0 293.499 2.571 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000623589226 353680007 /nfs/dbraw/zinc/68/00/07/353680007.db2.gz BIMQRHVUKNRINU-KFWWJZLASA-N 2 0 282.391 2.793 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CO2 ZINC000623608545 353685308 /nfs/dbraw/zinc/68/53/08/353685308.db2.gz QCDMYZTYERFKAW-CABCVRRESA-N 2 0 288.435 2.761 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623484772 353654320 /nfs/dbraw/zinc/65/43/20/353654320.db2.gz BESBJDGKBTUCHH-YIYPIFLZSA-N 2 0 268.445 2.508 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132252259 282925643 /nfs/dbraw/zinc/92/56/43/282925643.db2.gz IPLWKRIUDIHTAC-NSHDSACASA-N 2 0 272.314 2.795 20 0 CFADRP C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675763406 540008588 /nfs/dbraw/zinc/00/85/88/540008588.db2.gz NBNZMNJDBYXCQW-KBPBESRZSA-N 2 0 294.414 2.913 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1CCCCO1 ZINC000623923039 353760097 /nfs/dbraw/zinc/76/00/97/353760097.db2.gz RFLVXNRVYNBBSD-LBDPXKHJSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000675766298 540009697 /nfs/dbraw/zinc/00/96/97/540009697.db2.gz IWKXFTVYIJIVHJ-NXHRZFHOSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000623871716 353745640 /nfs/dbraw/zinc/74/56/40/353745640.db2.gz LCZLDPVFGDXGQG-NVXWUHKLSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CCCCO1 ZINC000623879095 353746991 /nfs/dbraw/zinc/74/69/91/353746991.db2.gz XYGGBMRNCGVLBG-XJKSGUPXSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CO2 ZINC000624072083 353797965 /nfs/dbraw/zinc/79/79/65/353797965.db2.gz TYDGWQKYWSXQDJ-GDBMZVCRSA-N 2 0 288.435 2.618 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000624100735 353805746 /nfs/dbraw/zinc/80/57/46/353805746.db2.gz ALDUWTCEWZQLGL-RYQLBKOJSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000624120116 353810682 /nfs/dbraw/zinc/81/06/82/353810682.db2.gz RPJOEAQCWRTQHA-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000624120177 353810937 /nfs/dbraw/zinc/81/09/37/353810937.db2.gz SYXMYAHSXDHLAC-ZIAGYGMSSA-N 2 0 290.407 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000624121076 353811026 /nfs/dbraw/zinc/81/10/26/353811026.db2.gz NNAIHXYBXGZPDL-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCCC[N@H+](C)C3)C[C@H]2C1 ZINC000624123550 353812651 /nfs/dbraw/zinc/81/26/51/353812651.db2.gz NYGHVRNEKRSWFJ-FIDHJVLJSA-N 2 0 280.456 2.512 20 0 CFADRP CCOC1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624123601 353812766 /nfs/dbraw/zinc/81/27/66/353812766.db2.gz OWXLRNITYSNPSL-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCCC1 ZINC000624124202 353812775 /nfs/dbraw/zinc/81/27/75/353812775.db2.gz ZTXZIZYESWGPSP-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000624123367 353812954 /nfs/dbraw/zinc/81/29/54/353812954.db2.gz KTOLNNORRZULHU-CABCVRRESA-N 2 0 297.446 2.957 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCCC1 ZINC000624123480 353813024 /nfs/dbraw/zinc/81/30/24/353813024.db2.gz MXBWVOOEPNXFDB-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C/C=C/C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000624197191 353832117 /nfs/dbraw/zinc/83/21/17/353832117.db2.gz DIIWMHAIMNSCAA-GJBLVYBDSA-N 2 0 262.397 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H](C)C1 ZINC000624199653 353832452 /nfs/dbraw/zinc/83/24/52/353832452.db2.gz UYAUFOIDUZAKEM-QMHWVQJVSA-N 2 0 250.430 2.743 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000624213903 353836992 /nfs/dbraw/zinc/83/69/92/353836992.db2.gz JHBQTBCWMZQVOM-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP CCO[C@@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000625192839 353992510 /nfs/dbraw/zinc/99/25/10/353992510.db2.gz YOKGPVRMEAQXOR-CVEARBPZSA-N 2 0 268.445 2.608 20 0 CFADRP CCO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000625263848 354008558 /nfs/dbraw/zinc/00/85/58/354008558.db2.gz LVEYJUPHXNLGKQ-RYQLBKOJSA-N 2 0 292.467 2.750 20 0 CFADRP CC[N@H+](CCOC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061881 354183312 /nfs/dbraw/zinc/18/33/12/354183312.db2.gz YDDMDPPDEWLBES-UHFFFAOYSA-N 2 0 278.440 2.995 20 0 CFADRP CC[C@@H](C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000626063933 354184431 /nfs/dbraw/zinc/18/44/31/354184431.db2.gz VXRCTABQWMFQGL-KRWDZBQOSA-N 2 0 278.440 2.995 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CCn3ccnc3)C2)cc1F ZINC000626126472 354202947 /nfs/dbraw/zinc/20/29/47/354202947.db2.gz PBYWEAPQBXNORQ-AWEZNQCLSA-N 2 0 289.354 2.520 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423553874 283020512 /nfs/dbraw/zinc/02/05/12/283020512.db2.gz WFSZMOHUBJBIOI-ZBYUQBLASA-N 2 0 274.383 2.791 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000149445955 283019446 /nfs/dbraw/zinc/01/94/46/283019446.db2.gz JIFOFHMRYIMYPW-INIZCTEOSA-N 2 0 262.372 2.889 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000628134402 354442722 /nfs/dbraw/zinc/44/27/22/354442722.db2.gz NUNRJYHWWKRILA-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000628202829 354474997 /nfs/dbraw/zinc/47/49/97/354474997.db2.gz JKPGMJIKDJDVHQ-CYBMUJFWSA-N 2 0 279.428 2.893 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@]1(C)CCCS1)C1CC1 ZINC000628304671 354533106 /nfs/dbraw/zinc/53/31/06/354533106.db2.gz LKQFFIZLNHZYLY-AWEZNQCLSA-N 2 0 256.459 2.736 20 0 CFADRP Cc1ncc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)o1 ZINC000628226292 354486171 /nfs/dbraw/zinc/48/61/71/354486171.db2.gz ILCKEZOJWXJXRK-UHFFFAOYSA-N 2 0 279.428 2.831 20 0 CFADRP C[N@@H+]1CC[C@H](N(CCC[NH3+])c2cccc(F)c2)CC1(C)C ZINC000628237267 354494224 /nfs/dbraw/zinc/49/42/24/354494224.db2.gz HIVDRUZWTARIDO-INIZCTEOSA-N 2 0 293.430 2.854 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000628253709 354504860 /nfs/dbraw/zinc/50/48/60/354504860.db2.gz TUGRXDZDFHTYRL-OKILXGFUSA-N 2 0 298.352 2.741 20 0 CFADRP C[C@]1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CCCS1 ZINC000628253765 354505177 /nfs/dbraw/zinc/50/51/77/354505177.db2.gz WIJIEWYSPPDJKV-OAHLLOKOSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@]1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCCS1 ZINC000628353031 354562836 /nfs/dbraw/zinc/56/28/36/354562836.db2.gz FBXATSKHTKIMBL-CVEARBPZSA-N 2 0 282.497 2.984 20 0 CFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000628408592 354580911 /nfs/dbraw/zinc/58/09/11/354580911.db2.gz DGVDKACEMYLHOD-CALCHBBNSA-N 2 0 286.419 2.613 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000628425146 354585874 /nfs/dbraw/zinc/58/58/74/354585874.db2.gz BMPKMNADPKQHBN-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1O ZINC000628425573 354586135 /nfs/dbraw/zinc/58/61/35/354586135.db2.gz PGOUFBUDOZULJD-HNNXBMFYSA-N 2 0 292.423 2.612 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000629388641 354799249 /nfs/dbraw/zinc/79/92/49/354799249.db2.gz VALTYZHMBYDFDL-SJORKVTESA-N 2 0 288.435 2.810 20 0 CFADRP CC1(C)CC([NH2+]CC2([NH3+])CCOCC2)CC(C)(C)C1 ZINC000629389232 354799324 /nfs/dbraw/zinc/79/93/24/354799324.db2.gz ZYAFQQOLWQXCQQ-UHFFFAOYSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C[NH2+]1 ZINC000629397097 354802401 /nfs/dbraw/zinc/80/24/01/354802401.db2.gz SNOPMCMUAMMJOS-LMSBXDPUSA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)(C)C1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629397822 354802901 /nfs/dbraw/zinc/80/29/01/354802901.db2.gz DGOKCKVDRMEEFM-UHFFFAOYSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629399028 354802941 /nfs/dbraw/zinc/80/29/41/354802941.db2.gz ATDNHWVHOCGHNT-JQHSSLGASA-N 2 0 290.451 2.914 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000629401402 354803146 /nfs/dbraw/zinc/80/31/46/354803146.db2.gz AGSMEHYJPWCHAD-KBAYOESNSA-N 2 0 290.451 2.784 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000629402839 354803907 /nfs/dbraw/zinc/80/39/07/354803907.db2.gz FVNHFQVEBNEACD-QZTJIDSGSA-N 2 0 290.451 2.929 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000629530415 354833547 /nfs/dbraw/zinc/83/35/47/354833547.db2.gz GLSNFCIYVNYXJE-YPMHNXCESA-N 2 0 268.426 2.512 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629530571 354833577 /nfs/dbraw/zinc/83/35/77/354833577.db2.gz KDHOUTFURKERJG-GOEBONIOSA-N 2 0 296.842 2.802 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCCC1(C)C ZINC000629511722 354823706 /nfs/dbraw/zinc/82/37/06/354823706.db2.gz QGCVAJNEERCIEC-KBPBESRZSA-N 2 0 256.434 2.546 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000629516458 354825767 /nfs/dbraw/zinc/82/57/67/354825767.db2.gz GUMIAXJMMZZJAJ-GXTWGEPZSA-N 2 0 261.413 2.683 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CCC2)nc1 ZINC000629520410 354827966 /nfs/dbraw/zinc/82/79/66/354827966.db2.gz VTCQKOWYIVDLNT-KYHPRHEASA-N 2 0 285.435 2.901 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520056 354827980 /nfs/dbraw/zinc/82/79/80/354827980.db2.gz JZLNJECERBUACS-SJORKVTESA-N 2 0 288.435 2.594 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000629523980 354828463 /nfs/dbraw/zinc/82/84/63/354828463.db2.gz PBFSAZDVLVTQOM-KBPBESRZSA-N 2 0 261.413 2.527 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532201 354834154 /nfs/dbraw/zinc/83/41/54/354834154.db2.gz QPVZLRZNLQXKTH-WBVHZDCISA-N 2 0 273.424 2.602 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000629528572 354832148 /nfs/dbraw/zinc/83/21/48/354832148.db2.gz CNFSIKSSSPPIGS-SNVBAGLBSA-N 2 0 291.222 2.880 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000629529888 354832736 /nfs/dbraw/zinc/83/27/36/354832736.db2.gz PKPABKVEWAPPAZ-OAHLLOKOSA-N 2 0 282.815 2.617 20 0 CFADRP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629533067 354834588 /nfs/dbraw/zinc/83/45/88/354834588.db2.gz FVKQTMXYCMFMIR-QWHCGFSZSA-N 2 0 294.826 2.867 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000629532619 354835018 /nfs/dbraw/zinc/83/50/18/354835018.db2.gz JXWMAPUHKGBADB-GHMZBOCLSA-N 2 0 277.387 2.873 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629535806 354835790 /nfs/dbraw/zinc/83/57/90/354835790.db2.gz FJGGTYIUCBTZLQ-BBRMVZONSA-N 2 0 262.397 2.580 20 0 CFADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1 ZINC000629538463 354836583 /nfs/dbraw/zinc/83/65/83/354836583.db2.gz JWBGEMWLLJILFS-CQSZACIVSA-N 2 0 270.804 2.746 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629537585 354836845 /nfs/dbraw/zinc/83/68/45/354836845.db2.gz KGIRTHGQQVXGDU-DLBZAZTESA-N 2 0 276.424 2.826 20 0 CFADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1F ZINC000629541026 354838452 /nfs/dbraw/zinc/83/84/52/354838452.db2.gz WUKAEVAQFWNXBT-ZDUSSCGKSA-N 2 0 288.794 2.885 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)C1CCCCC1 ZINC000629542193 354839496 /nfs/dbraw/zinc/83/94/96/354839496.db2.gz WNTRMUBJXXICPG-UONOGXRCSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1CCCCC1 ZINC000629542194 354839514 /nfs/dbraw/zinc/83/95/14/354839514.db2.gz WNTRMUBJXXICPG-ZIAGYGMSSA-N 2 0 256.434 2.546 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629541968 354839667 /nfs/dbraw/zinc/83/96/67/354839667.db2.gz VMNFQSJESSPPRE-LLVKDONJSA-N 2 0 285.457 2.591 20 0 CFADRP c1ccc2c(c1)C=C(C[NH+]1CCC3(CC[NH2+]C3)CC1)CO2 ZINC000629652942 354878226 /nfs/dbraw/zinc/87/82/26/354878226.db2.gz FWUBCHQPPBNKMK-UHFFFAOYSA-N 2 0 284.403 2.538 20 0 CFADRP CCO[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CC1 ZINC000629543657 354840340 /nfs/dbraw/zinc/84/03/40/354840340.db2.gz CUOSOELFXJFYAT-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543443 354840467 /nfs/dbraw/zinc/84/04/67/354840467.db2.gz BOYSVIUSMCZQBN-GMXVVIOVSA-N 2 0 299.821 2.773 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000629544181 354841321 /nfs/dbraw/zinc/84/13/21/354841321.db2.gz HUNVTYKRZUHEQI-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000629546826 354842464 /nfs/dbraw/zinc/84/24/64/354842464.db2.gz XUGFWZWRDMLCPG-RKTXRCNFSA-N 2 0 258.409 2.738 20 0 CFADRP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC[NH2+]CC1 ZINC000629547165 354842629 /nfs/dbraw/zinc/84/26/29/354842629.db2.gz FHNZZRBZEMGHKC-BETUJISGSA-N 2 0 258.356 2.638 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548510 354843414 /nfs/dbraw/zinc/84/34/14/354843414.db2.gz PNRLUMKBBNJNRK-USXIJHARSA-N 2 0 260.425 2.984 20 0 CFADRP Fc1ccc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629550601 354845089 /nfs/dbraw/zinc/84/50/89/354845089.db2.gz OSAKERHMOVUUMT-TZMCWYRMSA-N 2 0 280.362 2.754 20 0 CFADRP COCCC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000629552421 354845796 /nfs/dbraw/zinc/84/57/96/354845796.db2.gz JOHJSIKORHQVFZ-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCC2CCC2)CC[C@H]1C(F)(F)F ZINC000629560595 354848245 /nfs/dbraw/zinc/84/82/45/354848245.db2.gz DWVSVPLBRHIASD-NWDGAFQWSA-N 2 0 264.335 2.636 20 0 CFADRP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C(C)C)c1 ZINC000629574958 354848943 /nfs/dbraw/zinc/84/89/43/354848943.db2.gz GUQMHXFYXXMOOI-IRXDYDNUSA-N 2 0 288.435 2.803 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CC2CCCC2)CC[C@@H]1C(F)(F)F ZINC000629565949 354848980 /nfs/dbraw/zinc/84/89/80/354848980.db2.gz XKLCGXOCESGNIP-RYUDHWBXSA-N 2 0 264.335 2.636 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[NH2+]C1 ZINC000629576388 354849297 /nfs/dbraw/zinc/84/92/97/354849297.db2.gz UIOQMEBFFLNXNV-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@H](C[NH2+]CC1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000629653974 354878682 /nfs/dbraw/zinc/87/86/82/354878682.db2.gz KSPNLPRCPDDYPO-GFCCVEGCSA-N 2 0 282.815 2.541 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000629588433 354852319 /nfs/dbraw/zinc/85/23/19/354852319.db2.gz HSUGUEFHDQPOES-UKRRQHHQSA-N 2 0 292.398 2.623 20 0 CFADRP Fc1cccc(F)c1C1([NH2+]CC2CC[NH2+]CC2)CCC1 ZINC000629674157 354886890 /nfs/dbraw/zinc/88/68/90/354886890.db2.gz XBAUHGFIKIPOCY-UHFFFAOYSA-N 2 0 280.362 2.933 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC000629701612 354900118 /nfs/dbraw/zinc/90/01/18/354900118.db2.gz XFBTXJSUFJRCLJ-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccc(OCC[NH3+])cc2)c1 ZINC000629707779 354902502 /nfs/dbraw/zinc/90/25/02/354902502.db2.gz ZNFPZDFHVZGBLF-UHFFFAOYSA-N 2 0 270.376 2.753 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccc([C@@H]([NH3+])CO)cc2)cc1F ZINC000629709041 354903593 /nfs/dbraw/zinc/90/35/93/354903593.db2.gz MNFCVEZOVUXRJA-KRWDZBQOSA-N 2 0 288.366 2.546 20 0 CFADRP Cc1cncc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC000629735063 354914873 /nfs/dbraw/zinc/91/48/73/354914873.db2.gz GQHNHTMXYWMMGI-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP CC(C)(C)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657374 354880274 /nfs/dbraw/zinc/88/02/74/354880274.db2.gz XAMOVCFCMAHESI-QWRGUYRKSA-N 2 0 266.351 2.882 20 0 CFADRP Cc1scc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000630077170 354998878 /nfs/dbraw/zinc/99/88/78/354998878.db2.gz QCHMHQLRTLEYHC-UHFFFAOYSA-N 2 0 294.464 2.662 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228475237 540102025 /nfs/dbraw/zinc/10/20/25/540102025.db2.gz XYVXGSVGJKFZDW-CGTJXYLNSA-N 2 0 288.435 2.741 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)on1 ZINC000631042282 355261400 /nfs/dbraw/zinc/26/14/00/355261400.db2.gz IIFGKBBDSMLSDL-CYBMUJFWSA-N 2 0 265.401 2.585 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(C)c2C)C1 ZINC000631044274 355261908 /nfs/dbraw/zinc/26/19/08/355261908.db2.gz IVSHZSMHAWOJLB-CYBMUJFWSA-N 2 0 252.427 2.796 20 0 CFADRP Cc1scc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000631121295 355302959 /nfs/dbraw/zinc/30/29/59/355302959.db2.gz HBRCYQITISYNNM-CYBMUJFWSA-N 2 0 296.480 2.955 20 0 CFADRP c1cnc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000631569226 355492095 /nfs/dbraw/zinc/49/20/95/355492095.db2.gz KVDJPZKAGZMFNX-BRWVUGGUSA-N 2 0 271.408 2.675 20 0 CFADRP CCc1cc(N2CC[NH+](Cc3ccc(O)cc3)CC2)cc[nH+]1 ZINC000631536351 355478850 /nfs/dbraw/zinc/47/88/50/355478850.db2.gz CYBQESHZDZSALB-UHFFFAOYSA-N 2 0 297.402 2.672 20 0 CFADRP C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631649840 355532544 /nfs/dbraw/zinc/53/25/44/355532544.db2.gz BDMFWAXAHBEXJV-KSSFIOAISA-N 2 0 288.435 2.671 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631652586 355533748 /nfs/dbraw/zinc/53/37/48/355533748.db2.gz SPFVMSSEVXUZAG-TWMKSMIVSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[NH+]1CCCCC1 ZINC000631617208 355515753 /nfs/dbraw/zinc/51/57/53/355515753.db2.gz MURLPWBLHMVKMI-NXOAAHMSSA-N 2 0 292.467 2.798 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631638008 355526021 /nfs/dbraw/zinc/52/60/21/355526021.db2.gz UTFNAORVBSGQSE-WMLDXEAASA-N 2 0 273.424 2.781 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c(C)cc(C)nc2C)CC[C@H]1[NH3+] ZINC000631825056 355596416 /nfs/dbraw/zinc/59/64/16/355596416.db2.gz XTBGORJERXBVBZ-GDBMZVCRSA-N 2 0 261.413 2.566 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000631829568 355597303 /nfs/dbraw/zinc/59/73/03/355597303.db2.gz UQTCISIHYGJKAG-HNNXBMFYSA-N 2 0 287.451 2.971 20 0 CFADRP COc1cccc(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000631835721 355599986 /nfs/dbraw/zinc/59/99/86/355599986.db2.gz FAQZSESUTRDKEJ-KRWDZBQOSA-N 2 0 288.435 2.559 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836733 355600216 /nfs/dbraw/zinc/60/02/16/355600216.db2.gz GBFIXOBKVSXJSW-HIFRSBDPSA-N 2 0 275.440 2.794 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631839521 355602564 /nfs/dbraw/zinc/60/25/64/355602564.db2.gz HHCCPKGTIWALGN-XJKSGUPXSA-N 2 0 254.377 2.866 20 0 CFADRP C[C@H](c1cccc2ccccc21)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863703 355608788 /nfs/dbraw/zinc/60/87/88/355608788.db2.gz BIHOSCBNNJRLNY-OAHLLOKOSA-N 2 0 298.430 2.947 20 0 CFADRP Clc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886979 355614167 /nfs/dbraw/zinc/61/41/67/355614167.db2.gz NOGQXDIRFFTDFS-CZUORRHYSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631740743 355571860 /nfs/dbraw/zinc/57/18/60/355571860.db2.gz FHSMCGCSGNFTQD-XBVQOTNRSA-N 2 0 280.456 2.533 20 0 CFADRP Clc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886977 355614485 /nfs/dbraw/zinc/61/44/85/355614485.db2.gz NOGQXDIRFFTDFS-BBRMVZONSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2[nH]ccc2c1)C[NH+]1CCCC1 ZINC000229650717 540184149 /nfs/dbraw/zinc/18/41/49/540184149.db2.gz CAGHHGYQCPIBIX-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP Fc1ccc(SCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631890677 355617158 /nfs/dbraw/zinc/61/71/58/355617158.db2.gz RSHIKDMVEQBDGX-XJKSGUPXSA-N 2 0 294.439 2.992 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000666207917 540193283 /nfs/dbraw/zinc/19/32/83/540193283.db2.gz HWTTYQFPTNUMPM-IOASZLSFSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000343993206 283137557 /nfs/dbraw/zinc/13/75/57/283137557.db2.gz RUWJFIYANWAADW-BSWAZPDLSA-N 2 0 286.419 2.625 20 0 CFADRP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353603140 283137735 /nfs/dbraw/zinc/13/77/35/283137735.db2.gz GAJLIMOCMCSMJD-QAETUUGQSA-N 2 0 293.499 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@H]2CCC[C@@H]21 ZINC000414305823 283140173 /nfs/dbraw/zinc/14/01/73/283140173.db2.gz GBNIHDIMJKJVJZ-QMIVOQANSA-N 2 0 254.393 2.730 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488431130 291095116 /nfs/dbraw/zinc/09/51/16/291095116.db2.gz NZCPGAIMKWOIQJ-XUWVNRHRSA-N 2 0 252.446 2.990 20 0 CFADRP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(C)c1O ZINC000211280398 540236347 /nfs/dbraw/zinc/23/63/47/540236347.db2.gz HZQGAZZRTUDSFL-IAGOWNOFSA-N 2 0 288.435 2.925 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086880505 540254918 /nfs/dbraw/zinc/25/49/18/540254918.db2.gz KANLJNLHIVXEPM-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000567871060 290501475 /nfs/dbraw/zinc/50/14/75/290501475.db2.gz MBLXDKQVTFGJRE-ZIAGYGMSSA-N 2 0 269.392 2.964 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCCOc1ccccc1 ZINC000567870988 290501658 /nfs/dbraw/zinc/50/16/58/290501658.db2.gz DCVUGIFPLNFCCC-LSDHHAIUSA-N 2 0 264.413 2.951 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345715175 283213667 /nfs/dbraw/zinc/21/36/67/283213667.db2.gz MBCBYNKXRIDZOP-NVXWUHKLSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNc3ccccc32)CC[NH2+]1 ZINC000423370852 297287532 /nfs/dbraw/zinc/28/75/32/297287532.db2.gz DXMSZAKIPRULFR-WWGRRREGSA-N 2 0 259.397 2.664 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000346982257 283280280 /nfs/dbraw/zinc/28/02/80/283280280.db2.gz NSZSXRUIIVBGCD-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339077070 540282769 /nfs/dbraw/zinc/28/27/69/540282769.db2.gz YZEXGYZOFDKWSD-RZFLPCETSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339077186 540283008 /nfs/dbraw/zinc/28/30/08/540283008.db2.gz ZQKDRFWHMKRVKU-SJORKVTESA-N 2 0 288.435 2.899 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)sc1C ZINC000339065977 540283090 /nfs/dbraw/zinc/28/30/90/540283090.db2.gz CYVNGDOCOBGNSY-KGLIPLIRSA-N 2 0 279.453 2.519 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000339071378 540283680 /nfs/dbraw/zinc/28/36/80/540283680.db2.gz PYHYKQFZBUSERU-CABCVRRESA-N 2 0 293.480 2.991 20 0 CFADRP C[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000339070287 540283778 /nfs/dbraw/zinc/28/37/78/540283778.db2.gz KYQLLPRPEJBNKF-PMPSAXMXSA-N 2 0 281.488 2.569 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000233766980 540299625 /nfs/dbraw/zinc/29/96/25/540299625.db2.gz AOLYMIDVPSJAKA-IRXDYDNUSA-N 2 0 288.435 2.626 20 0 CFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000088276615 540291939 /nfs/dbraw/zinc/29/19/39/540291939.db2.gz AOYSFXGWQXKTLL-HNNXBMFYSA-N 2 0 291.439 2.698 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCSCC1 ZINC000421380045 299270833 /nfs/dbraw/zinc/27/08/33/299270833.db2.gz VGHJSDVYMYUSGC-GRTSSRMGSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000294631794 199115301 /nfs/dbraw/zinc/11/53/01/199115301.db2.gz AMJDKDDDWZTQJP-INMHGKMJSA-N 2 0 276.424 2.664 20 0 CFADRP CC(C)C(C[NH2+]CCCN1CCC[N@H+](C)CC1)C(C)C ZINC000671190374 540378155 /nfs/dbraw/zinc/37/81/55/540378155.db2.gz NELUVWBOCFFCGP-UHFFFAOYSA-N 2 0 283.504 2.532 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@@H](C)O1 ZINC000294631779 199114654 /nfs/dbraw/zinc/11/46/54/199114654.db2.gz AMJDKDDDWZTQJP-BFYDXBDKSA-N 2 0 276.424 2.664 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000228177869 540385240 /nfs/dbraw/zinc/38/52/40/540385240.db2.gz FWELIOSIYHRITR-HZPDHXFCSA-N 2 0 276.424 2.884 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294702890 199143013 /nfs/dbraw/zinc/14/30/13/199143013.db2.gz DBPCCHCRTLJQEA-SZMVWBNQSA-N 2 0 290.451 2.564 20 0 CFADRP Cc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC000294750920 199165649 /nfs/dbraw/zinc/16/56/49/199165649.db2.gz ICUKWECSOQGARF-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP Cc1cccc(CCNc2ccncc2Br)n1 ZINC000343050910 540398198 /nfs/dbraw/zinc/39/81/98/540398198.db2.gz FMFNVKNUHHBVFW-UHFFFAOYSA-N 2 0 292.180 2.624 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000415001944 291148421 /nfs/dbraw/zinc/14/84/21/291148421.db2.gz CVRDWNSAGQALGW-QVKMIARZSA-N 2 0 250.430 2.789 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000420374280 236632707 /nfs/dbraw/zinc/63/27/07/236632707.db2.gz HJPHVZYQGILELN-IRXDYDNUSA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000093210082 540426430 /nfs/dbraw/zinc/42/64/30/540426430.db2.gz LREJVQGPZMHMIE-KGLIPLIRSA-N 2 0 257.381 2.570 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000093453241 540429120 /nfs/dbraw/zinc/42/91/20/540429120.db2.gz GFIKOUJJRJXKCK-MCIONIFRSA-N 2 0 279.453 2.504 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000423538196 299287701 /nfs/dbraw/zinc/28/77/01/299287701.db2.gz MFURNQKNHPWBJD-HNNXBMFYSA-N 2 0 296.418 2.833 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000422979060 283426222 /nfs/dbraw/zinc/42/62/22/283426222.db2.gz IUSCEGSICSBBSS-UHFFFAOYSA-N 2 0 258.409 2.509 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167098592 283430644 /nfs/dbraw/zinc/43/06/44/283430644.db2.gz OYFGHPOHYXNZPZ-UHFFFAOYSA-N 2 0 264.266 2.673 20 0 CFADRP CCc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000094070577 540442057 /nfs/dbraw/zinc/44/20/57/540442057.db2.gz GOVMIFGGZSBPCV-UHFFFAOYSA-N 2 0 282.453 2.640 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(N)ccc32)CC1 ZINC000094075409 540442132 /nfs/dbraw/zinc/44/21/32/540442132.db2.gz OSCJRNWLAJUVDN-QGZVFWFLSA-N 2 0 273.424 2.719 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2ccccc2-n2ccnc2)CC1 ZINC000152215274 540449592 /nfs/dbraw/zinc/44/95/92/540449592.db2.gz UYGGZKXCHIYBAB-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000094470693 540450632 /nfs/dbraw/zinc/45/06/32/540450632.db2.gz KOOYLTDTRMDVTQ-GOEBONIOSA-N 2 0 278.465 2.992 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CS1 ZINC000094470977 540450759 /nfs/dbraw/zinc/45/07/59/540450759.db2.gz MOTORQXNKMAOFS-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](C[NH2+][C@H]1CS[C@H](C)C1)C[NH+]1CCCCC1 ZINC000094472984 540451172 /nfs/dbraw/zinc/45/11/72/540451172.db2.gz ATHCBVFTRXSIFF-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1C ZINC000422561084 237103080 /nfs/dbraw/zinc/10/30/80/237103080.db2.gz IXJSAMOKUMUDRZ-UHFFFAOYSA-N 2 0 258.409 2.940 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1C[NH3+] ZINC000422561645 237103836 /nfs/dbraw/zinc/10/38/36/237103836.db2.gz MNIXREAWCPQXPQ-BFYDXBDKSA-N 2 0 298.434 2.678 20 0 CFADRP Fc1cccc(CCC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422624929 237112596 /nfs/dbraw/zinc/11/25/96/237112596.db2.gz AAHGHHMJGAFMHG-UHFFFAOYSA-N 2 0 262.372 2.586 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422729542 237144542 /nfs/dbraw/zinc/14/45/42/237144542.db2.gz KVUKDXAPWFBPJB-CABCVRRESA-N 2 0 250.361 2.618 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422737357 237152176 /nfs/dbraw/zinc/15/21/76/237152176.db2.gz XMALXXGLFKZCPB-BZUAXINKSA-N 2 0 294.826 2.587 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422741585 237155167 /nfs/dbraw/zinc/15/51/67/237155167.db2.gz DVSQXUAYXFPWES-JZXOWHBKSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422706681 237125848 /nfs/dbraw/zinc/12/58/48/237125848.db2.gz UVMYFVLDAUIDOO-BFHYXJOUSA-N 2 0 289.423 2.590 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000422725114 237139268 /nfs/dbraw/zinc/13/92/68/237139268.db2.gz XLQLSORUUFCASS-QAPCUYQASA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000678931141 540516704 /nfs/dbraw/zinc/51/67/04/540516704.db2.gz OMUYTASGSDFNOH-GFCCVEGCSA-N 2 0 250.411 2.531 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422765744 237181928 /nfs/dbraw/zinc/18/19/28/237181928.db2.gz LBNUOPKNHUKCSB-BBRMVZONSA-N 2 0 276.399 2.835 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422769392 237185246 /nfs/dbraw/zinc/18/52/46/237185246.db2.gz OYBZSEYFRWCVJU-OLZOCXBDSA-N 2 0 286.423 2.705 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000422769168 237185730 /nfs/dbraw/zinc/18/57/30/237185730.db2.gz USOPKNSLXUZVAI-SJLPKXTDSA-N 2 0 299.418 2.515 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422769394 237186677 /nfs/dbraw/zinc/18/66/77/237186677.db2.gz OYBZSEYFRWCVJU-STQMWFEESA-N 2 0 286.423 2.705 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422768973 237186685 /nfs/dbraw/zinc/18/66/85/237186685.db2.gz OHNNJBHIQILFLE-HOCLYGCPSA-N 2 0 274.408 2.692 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000422772531 237187909 /nfs/dbraw/zinc/18/79/09/237187909.db2.gz ZGRILGUIIHBWTH-GDBMZVCRSA-N 2 0 293.430 2.820 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422748493 237162396 /nfs/dbraw/zinc/16/23/96/237162396.db2.gz UTCRHEYOKCGSJD-BZUAXINKSA-N 2 0 294.826 2.587 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422757650 237172480 /nfs/dbraw/zinc/17/24/80/237172480.db2.gz IABNELRGJXSEIB-AVJHPGPQSA-N 2 0 260.356 2.686 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422761475 237175311 /nfs/dbraw/zinc/17/53/11/237175311.db2.gz MRWFZBNEGANXHZ-NHYWBVRUSA-N 2 0 275.371 2.567 20 0 CFADRP Cc1cccc(O[C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422794636 237217761 /nfs/dbraw/zinc/21/77/61/237217761.db2.gz UNTQTENFTRDPER-FHERZECASA-N 2 0 276.424 2.869 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCC(C)CC1 ZINC000422794109 237218880 /nfs/dbraw/zinc/21/88/80/237218880.db2.gz YPQAXTAAEZZNRQ-FHLIZLRMSA-N 2 0 287.451 2.841 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422804292 237227499 /nfs/dbraw/zinc/22/74/99/237227499.db2.gz HFZCRXNTHZLVLK-OALUTQOASA-N 2 0 295.430 2.983 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Oc1ccccc1F ZINC000422778417 237194015 /nfs/dbraw/zinc/19/40/15/237194015.db2.gz ANVKTQFRRKXBTK-SNPRPXQTSA-N 2 0 280.387 2.843 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000422777001 237194342 /nfs/dbraw/zinc/19/43/42/237194342.db2.gz BNYOVCVJQTXMGK-HZPDHXFCSA-N 2 0 268.445 2.975 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000251900046 540554402 /nfs/dbraw/zinc/55/44/02/540554402.db2.gz WTAXQZJRTXXDRR-SWLSCSKDSA-N 2 0 258.365 2.992 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422776267 237195788 /nfs/dbraw/zinc/19/57/88/237195788.db2.gz CMKSIIGSLAPKHQ-HZPDHXFCSA-N 2 0 280.387 2.844 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(C)c1 ZINC000422776035 237196229 /nfs/dbraw/zinc/19/62/29/237196229.db2.gz BYLLWERTCLCGJL-INIZCTEOSA-N 2 0 278.440 2.616 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422783246 237201617 /nfs/dbraw/zinc/20/16/17/237201617.db2.gz NWYRFNWOOWEULO-UHOFOFEASA-N 2 0 262.397 2.658 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C ZINC000422803172 237227795 /nfs/dbraw/zinc/22/77/95/237227795.db2.gz FRKNJEPOAMAGQL-HIFRSBDPSA-N 2 0 293.455 2.544 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1F ZINC000422784367 237206961 /nfs/dbraw/zinc/20/69/61/237206961.db2.gz LXSNMJPJEHDTOV-AXFHLTTASA-N 2 0 254.349 2.611 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422791079 237212719 /nfs/dbraw/zinc/21/27/19/237212719.db2.gz YDRVUKMFZZJYKK-GXTWGEPZSA-N 2 0 252.789 2.600 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422790343 237213330 /nfs/dbraw/zinc/21/33/30/237213330.db2.gz XQLIJRFVYHDDKI-CPUCHLNUSA-N 2 0 276.424 2.919 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000422818026 237245853 /nfs/dbraw/zinc/24/58/53/237245853.db2.gz JHJDQNQJXHYCHL-ZIAGYGMSSA-N 2 0 284.350 2.593 20 0 CFADRP Cc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422824445 237253383 /nfs/dbraw/zinc/25/33/83/237253383.db2.gz HGEXSAUIEZDCJN-JZXOWHBKSA-N 2 0 289.467 2.847 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000422804818 237229919 /nfs/dbraw/zinc/22/99/19/237229919.db2.gz FTTSRQFJIXEYAY-LXTVHRRPSA-N 2 0 268.445 2.558 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000422804817 237229967 /nfs/dbraw/zinc/22/99/67/237229967.db2.gz FTTSRQFJIXEYAY-KBUPBQIOSA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422814490 237239391 /nfs/dbraw/zinc/23/93/91/237239391.db2.gz VDBQACMGYLMPPN-SJLPKXTDSA-N 2 0 284.403 2.936 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422814516 237240036 /nfs/dbraw/zinc/24/00/36/237240036.db2.gz VGBJSURZBOMGGP-QKPAOTATSA-N 2 0 282.472 2.948 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422813842 237240123 /nfs/dbraw/zinc/24/01/23/237240123.db2.gz SNCAAUYQYXOJKQ-QLFBSQMISA-N 2 0 262.397 2.782 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422814488 237240464 /nfs/dbraw/zinc/24/04/64/237240464.db2.gz VDBQACMGYLMPPN-AEFFLSMTSA-N 2 0 284.403 2.936 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422855654 237275506 /nfs/dbraw/zinc/27/55/06/237275506.db2.gz CXKLTAXFHNPICI-RDJZCZTQSA-N 2 0 276.424 2.871 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666953717 540596395 /nfs/dbraw/zinc/59/63/95/540596395.db2.gz GDKHQMFTAMWHBF-QLFBSQMISA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954118 540596963 /nfs/dbraw/zinc/59/69/63/540596963.db2.gz QHBNHFWPGPQVDJ-BBRMVZONSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954045 540597161 /nfs/dbraw/zinc/59/71/61/540597161.db2.gz OKCNYTJUGKJRIC-XJKSGUPXSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954043 540597170 /nfs/dbraw/zinc/59/71/70/540597170.db2.gz OKCNYTJUGKJRIC-CJNGLKHVSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000422872186 237291683 /nfs/dbraw/zinc/29/16/83/237291683.db2.gz GBSNRNZVPVQSGG-XOYOTBSWSA-N 2 0 290.451 2.791 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000422871149 237291740 /nfs/dbraw/zinc/29/17/40/237291740.db2.gz CNVBSBCIXOWWPU-LBPRGKRZSA-N 2 0 287.407 2.519 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCCC1)C1C[NH2+]C1 ZINC000422875097 237294977 /nfs/dbraw/zinc/29/49/77/237294977.db2.gz BTWGCMBBHPBPQU-ZDUSSCGKSA-N 2 0 276.399 2.835 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1SC ZINC000422878162 237299189 /nfs/dbraw/zinc/29/91/89/237299189.db2.gz SOUOEPUBWFFUKN-CQSZACIVSA-N 2 0 282.453 2.560 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422839318 237264597 /nfs/dbraw/zinc/26/45/97/237264597.db2.gz ZVXQOYDWPMLBDV-BQFCYCMXSA-N 2 0 287.451 2.633 20 0 CFADRP C[NH2+]Cc1cccc(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000666812147 540584487 /nfs/dbraw/zinc/58/44/87/540584487.db2.gz WNFHZDVDQLJERM-UHFFFAOYSA-N 2 0 273.424 2.692 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842084 237267349 /nfs/dbraw/zinc/26/73/49/237267349.db2.gz XNOPITOLLBIIAU-SCRDCRAPSA-N 2 0 281.831 2.634 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000666853900 540587473 /nfs/dbraw/zinc/58/74/73/540587473.db2.gz JDMVUASYMJPCFM-CVEARBPZSA-N 2 0 255.365 2.594 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnccc1N ZINC000422886597 237305045 /nfs/dbraw/zinc/30/50/45/237305045.db2.gz XEBRLBUZMQWGCU-GJZGRUSLSA-N 3 0 290.455 2.799 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422885840 237306459 /nfs/dbraw/zinc/30/64/59/237306459.db2.gz HHOAVSNBRZTGOE-ZJUUUORDSA-N 2 0 256.777 2.564 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)sc1C ZINC000422888006 237308882 /nfs/dbraw/zinc/30/88/82/237308882.db2.gz BVOKFEVASJXOKX-ZNMIVQPWSA-N 2 0 293.480 2.813 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)C[C@@H](C)[NH3+])n1 ZINC000422890831 237312608 /nfs/dbraw/zinc/31/26/08/237312608.db2.gz TWYDHJGRSKQUOO-CHWSQXEVSA-N 2 0 286.423 2.705 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422892890 237314726 /nfs/dbraw/zinc/31/47/26/237314726.db2.gz ZPTJDXPFHFVSBS-ZNMIVQPWSA-N 2 0 293.480 2.813 20 0 CFADRP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422898490 237318376 /nfs/dbraw/zinc/31/83/76/237318376.db2.gz MEZGWZWTKPVIGQ-VPSFDDGASA-N 2 0 288.435 2.943 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422898262 237320979 /nfs/dbraw/zinc/32/09/79/237320979.db2.gz LOBMKLMFZFLPRO-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000422902335 237322578 /nfs/dbraw/zinc/32/25/78/237322578.db2.gz UHCHDOAQGIREBU-YUMQZZPRSA-N 2 0 277.231 2.726 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422905164 237328765 /nfs/dbraw/zinc/32/87/65/237328765.db2.gz RLMYBLSYAPDALF-DZOHQFGASA-N 2 0 288.435 2.884 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422922668 237352591 /nfs/dbraw/zinc/35/25/91/237352591.db2.gz QMWLEZMJSYQXBY-QAETUUGQSA-N 2 0 258.409 2.725 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422923458 237356986 /nfs/dbraw/zinc/35/69/86/237356986.db2.gz WFSLEDWNORWOJJ-WFASDCNBSA-N 2 0 268.376 2.620 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927375 237359532 /nfs/dbraw/zinc/35/95/32/237359532.db2.gz GJNXPOFHFBWYJT-GHMZBOCLSA-N 2 0 290.329 2.843 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc2ccccc2c1 ZINC000422935922 237362192 /nfs/dbraw/zinc/36/21/92/237362192.db2.gz BBBSZDNJWCBMBH-SFHVURJKSA-N 2 0 286.419 2.726 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931952 237363400 /nfs/dbraw/zinc/36/34/00/237363400.db2.gz DFPBICJIJBNZFT-CABCVRRESA-N 2 0 282.815 2.968 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422937599 237367410 /nfs/dbraw/zinc/36/74/10/237367410.db2.gz OIVDIAQBINHHCE-SMDDNHRTSA-N 2 0 297.240 2.927 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422939536 237368178 /nfs/dbraw/zinc/36/81/78/237368178.db2.gz GBUOWQRHTASLDZ-UKRRQHHQSA-N 2 0 298.377 2.938 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422946034 237374541 /nfs/dbraw/zinc/37/45/41/237374541.db2.gz ODJIPUYXXHCHSK-NWDGAFQWSA-N 2 0 297.830 2.774 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422946009 237373547 /nfs/dbraw/zinc/37/35/47/237373547.db2.gz OFZVHDRMZFBDQI-KGLIPLIRSA-N 2 0 252.789 2.742 20 0 CFADRP C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682156898 540639484 /nfs/dbraw/zinc/63/94/84/540639484.db2.gz QYRQXIBZLVUSBV-XJKSGUPXSA-N 2 0 294.464 2.611 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422943979 237375847 /nfs/dbraw/zinc/37/58/47/237375847.db2.gz LTVWSSBYKODTNP-IAGOWNOFSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422948525 237377185 /nfs/dbraw/zinc/37/71/85/237377185.db2.gz SDHJEALYXCDLMX-QWRGUYRKSA-N 2 0 272.339 2.546 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)C1C[NH2+]C1 ZINC000422950206 237383976 /nfs/dbraw/zinc/38/39/76/237383976.db2.gz XJDPHLHGBRYCRR-ZDUSSCGKSA-N 2 0 274.408 2.706 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000422952111 237384235 /nfs/dbraw/zinc/38/42/35/237384235.db2.gz BSOBZGQGQKDLKZ-UONOGXRCSA-N 2 0 268.351 2.757 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422956606 237386160 /nfs/dbraw/zinc/38/61/60/237386160.db2.gz LPLUPDQWWFRFFE-MNOVXSKESA-N 2 0 285.229 2.973 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000422955472 237387469 /nfs/dbraw/zinc/38/74/69/237387469.db2.gz MDFXPRFXRVILII-NXEZZACHSA-N 2 0 258.768 2.737 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422959601 237390149 /nfs/dbraw/zinc/39/01/49/237390149.db2.gz SUSHXZMWYZHFHJ-LSDHHAIUSA-N 2 0 284.350 2.593 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000422965236 237392530 /nfs/dbraw/zinc/39/25/30/237392530.db2.gz OBJGCJCUUSAALS-GPANFISMSA-N 2 0 291.439 2.524 20 0 CFADRP CCCn1nc(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1C ZINC000297446920 200193321 /nfs/dbraw/zinc/19/33/21/200193321.db2.gz GUBXQIQFKGSOGR-UHFFFAOYSA-N 2 0 297.406 2.847 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000297610964 200241434 /nfs/dbraw/zinc/24/14/34/200241434.db2.gz INLKHTQYAIPCQO-DZGCQCFKSA-N 2 0 295.496 2.591 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1O ZINC000297663828 200255250 /nfs/dbraw/zinc/25/52/50/200255250.db2.gz OAONYFPGJRBNJF-GJZGRUSLSA-N 2 0 292.423 2.753 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000403526873 540672221 /nfs/dbraw/zinc/67/22/21/540672221.db2.gz MYKXMVMHISHUKF-SIXLDLHFSA-N 2 0 262.441 2.887 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000435878899 240363139 /nfs/dbraw/zinc/36/31/39/240363139.db2.gz HFEPACCRBYMFBB-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000161790862 540698906 /nfs/dbraw/zinc/69/89/06/540698906.db2.gz CKFJCMWWDVNYJN-ZFWWWQNUSA-N 2 0 274.408 2.612 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000162069956 540702419 /nfs/dbraw/zinc/70/24/19/540702419.db2.gz XRQCXFRWFLIVIO-MRXNPFEDSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000177733160 189066038 /nfs/dbraw/zinc/06/60/38/189066038.db2.gz AJLOJDAGXFWWLP-ZDUSSCGKSA-N 2 0 286.423 2.641 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000154883297 283568512 /nfs/dbraw/zinc/56/85/12/283568512.db2.gz KTNSEOZUQHYFRT-FUHWJXTLSA-N 2 0 289.467 2.753 20 0 CFADRP CC[N@H+](CCC[NH2+]C)Cc1cccc(Br)c1 ZINC000435881683 240363651 /nfs/dbraw/zinc/36/36/51/240363651.db2.gz WDFKQSYVCMXYKG-UHFFFAOYSA-N 2 0 285.229 2.881 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000178420056 189114946 /nfs/dbraw/zinc/11/49/46/189114946.db2.gz NLGGMWQEVGFEGP-YQQAZPJKSA-N 2 0 290.451 2.864 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccsc1 ZINC000178378914 189112076 /nfs/dbraw/zinc/11/20/76/189112076.db2.gz ZVPRNNUHOQFAII-GXTWGEPZSA-N 2 0 270.442 2.756 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000435881210 240363830 /nfs/dbraw/zinc/36/38/30/240363830.db2.gz OBPMKKAALQFGHP-AWEZNQCLSA-N 2 0 264.438 2.710 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccsc1 ZINC000178739240 189141660 /nfs/dbraw/zinc/14/16/60/189141660.db2.gz NODFLPMRLVKGIX-AWEZNQCLSA-N 2 0 295.496 2.672 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000178683500 189137219 /nfs/dbraw/zinc/13/72/19/189137219.db2.gz AZCMZGYXWGYMCE-YOEHRIQHSA-N 2 0 276.424 2.794 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422709818 296020780 /nfs/dbraw/zinc/02/07/80/296020780.db2.gz ZUNRMOPBCQLDQQ-HUUCEWRRSA-N 2 0 289.467 2.539 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414909715 540830303 /nfs/dbraw/zinc/83/03/03/540830303.db2.gz CFMKWANBWNBGOT-HUUCEWRRSA-N 2 0 284.407 2.540 20 0 CFADRP c1ccc(COC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178956587 189157531 /nfs/dbraw/zinc/15/75/31/189157531.db2.gz LYVKLJCZYFHVTB-UHFFFAOYSA-N 2 0 288.435 2.667 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc2[nH]1 ZINC000423121419 238212248 /nfs/dbraw/zinc/21/22/48/238212248.db2.gz IRTMQFRYRNFPQG-IXDOHACOSA-N 2 0 298.434 2.963 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122884 238212903 /nfs/dbraw/zinc/21/29/03/238212903.db2.gz LKECXXXZDIXRIJ-UGQVUOCMSA-N 2 0 262.397 2.622 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c2O1 ZINC000414923247 540830706 /nfs/dbraw/zinc/83/07/06/540830706.db2.gz IBVNVYSYTGJJJP-HUUCEWRRSA-N 2 0 274.408 2.760 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000414925085 540830974 /nfs/dbraw/zinc/83/09/74/540830974.db2.gz KZHBEOIBSBIKGY-HZPDHXFCSA-N 2 0 274.408 2.835 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000414925191 540831264 /nfs/dbraw/zinc/83/12/64/540831264.db2.gz LKIDQOBNZAJAAS-HUUCEWRRSA-N 2 0 298.390 2.628 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414931074 540831747 /nfs/dbraw/zinc/83/17/47/540831747.db2.gz UBOQWPDVVWNJKL-STQMWFEESA-N 2 0 250.361 2.748 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414933929 540832020 /nfs/dbraw/zinc/83/20/20/540832020.db2.gz XEVCTXSOGOEAAF-XBFCOCLRSA-N 2 0 252.427 2.929 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1CC(c2ccccc2)C1 ZINC000423104508 238202611 /nfs/dbraw/zinc/20/26/11/238202611.db2.gz BPUZXBBCUUTNGH-PREGVCBESA-N 2 0 276.424 2.524 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)cc1F ZINC000423116789 238208704 /nfs/dbraw/zinc/20/87/04/238208704.db2.gz RNAXOUVSXSFTOA-RZLSGREXSA-N 2 0 292.398 2.797 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)[C@H]3CC[NH2+]C3)C2)cc1F ZINC000423116341 238209178 /nfs/dbraw/zinc/20/91/78/238209178.db2.gz PLWJWBAYTCGMLQ-FAAHXZRKSA-N 2 0 292.398 2.668 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000423118432 238210428 /nfs/dbraw/zinc/21/04/28/238210428.db2.gz AOAKNXWATTXSJQ-YVECIDJPSA-N 2 0 278.362 2.943 20 0 CFADRP CCCN(CCC[NH2+]C)CC(=O)Nc1ccc(Cl)cc1 ZINC000435885157 240365993 /nfs/dbraw/zinc/36/59/93/240365993.db2.gz GGFLWQIBAQANSV-UHFFFAOYSA-N 2 0 297.830 2.600 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000423143446 238228813 /nfs/dbraw/zinc/22/88/13/238228813.db2.gz DDKGGMZKQSKVRP-MOKVOYLWSA-N 2 0 276.449 2.983 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000423152453 238236654 /nfs/dbraw/zinc/23/66/54/238236654.db2.gz FCPAJFVHCMMRMT-SQNIBIBYSA-N 2 0 290.451 2.914 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152167 238236878 /nfs/dbraw/zinc/23/68/78/238236878.db2.gz DSPLTZPSMZWEEG-QMTHXVAHSA-N 2 0 286.778 2.575 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423152168 238237247 /nfs/dbraw/zinc/23/72/47/238237247.db2.gz DSPLTZPSMZWEEG-YGRLFVJLSA-N 2 0 286.778 2.575 20 0 CFADRP C[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670267148 540847527 /nfs/dbraw/zinc/84/75/27/540847527.db2.gz SGLADZWMPCDWTK-HNNXBMFYSA-N 2 0 295.515 2.817 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670266559 540847642 /nfs/dbraw/zinc/84/76/42/540847642.db2.gz KZYBPMGBTMCQAV-INIZCTEOSA-N 2 0 283.504 2.676 20 0 CFADRP C[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670267149 540847852 /nfs/dbraw/zinc/84/78/52/540847852.db2.gz SGLADZWMPCDWTK-OAHLLOKOSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1NCc1ccnc(C(F)(F)F)c1 ZINC000423156630 238241469 /nfs/dbraw/zinc/24/14/69/238241469.db2.gz LINPKIUDUPPKMA-VXGBXAGGSA-N 2 0 287.329 2.850 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000423131568 238223404 /nfs/dbraw/zinc/22/34/04/238223404.db2.gz OGZJEPRINHFIIP-NRXISQOPSA-N 2 0 291.414 2.512 20 0 CFADRP FC(F)(F)c1ccnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423134949 238224833 /nfs/dbraw/zinc/22/48/33/238224833.db2.gz NBLRYQFYKZGCKT-PBWFPOADSA-N 2 0 299.340 2.516 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423136204 238225379 /nfs/dbraw/zinc/22/53/79/238225379.db2.gz UWGRFXXOQYHCIZ-VIFPVBQESA-N 2 0 269.339 2.545 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423159140 238240969 /nfs/dbraw/zinc/24/09/69/238240969.db2.gz OWGNEFVVSKSGIR-KFKAGJAMSA-N 2 0 296.414 2.979 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CCCCC1 ZINC000423174996 238252996 /nfs/dbraw/zinc/25/29/96/238252996.db2.gz CNXXPOWEAKOLGI-QLFBSQMISA-N 2 0 278.440 2.585 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[C@H](C)O1 ZINC000423174235 238253899 /nfs/dbraw/zinc/25/38/99/238253899.db2.gz BSZBXVWKYNBDFX-IZKTWJBDSA-N 2 0 280.456 2.700 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCCCC1 ZINC000423176359 238254994 /nfs/dbraw/zinc/25/49/94/238254994.db2.gz GYMYTBOKXBXKAK-HRCADAONSA-N 2 0 280.456 2.833 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423179080 238258175 /nfs/dbraw/zinc/25/81/75/238258175.db2.gz GVOVFBDLUTZKSQ-JCURWCKSSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423166414 238248776 /nfs/dbraw/zinc/24/87/76/238248776.db2.gz CNQVLRHYMLRVKB-FMKPAKJESA-N 2 0 261.413 2.523 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423196501 238271352 /nfs/dbraw/zinc/27/13/52/238271352.db2.gz ZWCRZQOJHOKZCH-AVGNSLFASA-N 2 0 291.414 2.964 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](OC)C(C)(C)C)CC1 ZINC000154899438 540871571 /nfs/dbraw/zinc/87/15/71/540871571.db2.gz NRHGFPPICRJXBF-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CCCn1nccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000387326646 540861999 /nfs/dbraw/zinc/86/19/99/540861999.db2.gz NVIQXMBJRODNFK-UHFFFAOYSA-N 2 0 266.433 2.503 20 0 CFADRP CCOc1ccc([C@H](CC)[NH2+]CCC[NH3+])cc1OCC ZINC000423188925 238264506 /nfs/dbraw/zinc/26/45/06/238264506.db2.gz ZSVZLKWPJHWBBY-AWEZNQCLSA-N 2 0 280.412 2.874 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000423231586 238295095 /nfs/dbraw/zinc/29/50/95/238295095.db2.gz GXYAQOVHMYOCHI-IRXDYDNUSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422727913 299317389 /nfs/dbraw/zinc/31/73/89/299317389.db2.gz DSEWVWKQQMAKSP-SOUVJXGZSA-N 2 0 293.480 2.615 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)o1 ZINC000423219241 238284742 /nfs/dbraw/zinc/28/47/42/238284742.db2.gz SZBAKBKUVIGHAQ-OBJOEFQTSA-N 2 0 250.386 2.935 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423246397 238306668 /nfs/dbraw/zinc/30/66/68/238306668.db2.gz JXPVIWWWKNRRFS-RYUDHWBXSA-N 2 0 275.421 2.947 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000155753905 540904386 /nfs/dbraw/zinc/90/43/86/540904386.db2.gz YLSGESSCZPOOEW-HOCLYGCPSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249959 238308271 /nfs/dbraw/zinc/30/82/71/238308271.db2.gz PQFHUXCZWNUWAQ-KGLIPLIRSA-N 2 0 272.392 2.953 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423253358 238310426 /nfs/dbraw/zinc/31/04/26/238310426.db2.gz VVENEWUUYDFANP-DTTOXWODSA-N 2 0 288.435 2.776 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc(-c2ccccc2)n1C ZINC000423253814 238311343 /nfs/dbraw/zinc/31/13/43/238311343.db2.gz WKVIKKXHCBILBG-GJZGRUSLSA-N 2 0 298.434 2.737 20 0 CFADRP C[NH+](C)CCC[N@H+](C)Cc1cccc2cnccc21 ZINC000685452249 540918326 /nfs/dbraw/zinc/91/83/26/540918326.db2.gz FQDBHOKVNFEQKZ-UHFFFAOYSA-N 2 0 257.381 2.618 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263638 238320408 /nfs/dbraw/zinc/32/04/08/238320408.db2.gz BFUAPGGVRUOQIZ-DXEWXGHRSA-N 2 0 276.424 2.760 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000423264139 238321157 /nfs/dbraw/zinc/32/11/57/238321157.db2.gz YFNVBAGUBADLLU-OLZOCXBDSA-N 2 0 280.387 2.875 20 0 CFADRP CCC(CC)[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C(C)C ZINC000388776716 540926119 /nfs/dbraw/zinc/92/61/19/540926119.db2.gz PUBXXJPLVQXSGD-INIZCTEOSA-N 2 0 272.477 2.834 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1F ZINC000423294434 238351155 /nfs/dbraw/zinc/35/11/55/238351155.db2.gz BWZQOTLGTVVAMX-UWVGGRQHSA-N 2 0 256.390 2.793 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423290346 238352000 /nfs/dbraw/zinc/35/20/00/238352000.db2.gz ZTFDOZZNZIKSDM-NEPJUHHUSA-N 2 0 250.386 2.514 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000685840415 540957589 /nfs/dbraw/zinc/95/75/89/540957589.db2.gz ICYWBKTWKHUYSX-OAHLLOKOSA-N 2 0 272.436 2.723 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CC2)c1 ZINC000423311637 238368082 /nfs/dbraw/zinc/36/80/82/238368082.db2.gz CCWZTXDHDHYTBX-IAGOWNOFSA-N 2 0 258.409 2.643 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423300162 238357665 /nfs/dbraw/zinc/35/76/65/238357665.db2.gz QZHSAQPWGIBLFH-UWVGGRQHSA-N 2 0 256.777 2.594 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423302881 238359131 /nfs/dbraw/zinc/35/91/31/238359131.db2.gz WEMJFMHVVHHSMX-BDAKNGLRSA-N 2 0 289.192 2.834 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423325857 238379333 /nfs/dbraw/zinc/37/93/33/238379333.db2.gz LWMMUQFDQWBFQC-OLZOCXBDSA-N 2 0 250.386 2.516 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCOCc2ccccc2)C1 ZINC000390589183 540978659 /nfs/dbraw/zinc/97/86/59/540978659.db2.gz OPELHJUBCQBXGA-DLBZAZTESA-N 2 0 276.424 2.843 20 0 CFADRP C[C@H](C[NH3+])NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423316896 238368851 /nfs/dbraw/zinc/36/88/51/238368851.db2.gz BNVSMYGLLDETTL-CYBMUJFWSA-N 2 0 269.477 2.602 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000390770687 540982679 /nfs/dbraw/zinc/98/26/79/540982679.db2.gz IYJLDCZNYYFLOM-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CCC2)o1 ZINC000423349826 238399014 /nfs/dbraw/zinc/39/90/14/238399014.db2.gz XQZLQKWGSOSKGJ-INIZCTEOSA-N 2 0 260.381 2.939 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1F ZINC000423350096 238399228 /nfs/dbraw/zinc/39/92/28/238399228.db2.gz WVEVMMFWXLFGOC-BLLLJJGKSA-N 2 0 280.387 2.875 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423349232 238399461 /nfs/dbraw/zinc/39/94/61/238399461.db2.gz WDMZSCYIUNMUTG-SFHVURJKSA-N 2 0 270.420 2.825 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423343718 238392532 /nfs/dbraw/zinc/39/25/32/238392532.db2.gz XDEQHFLSSFWSGC-MAUKXSAKSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423345326 238393922 /nfs/dbraw/zinc/39/39/22/238393922.db2.gz YSVSGSHXIUVZSB-SUMWQHHRSA-N 2 0 274.408 2.757 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423344217 238394218 /nfs/dbraw/zinc/39/42/18/238394218.db2.gz OCABOEMSSJEVLY-BHYGNILZSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423342980 238394309 /nfs/dbraw/zinc/39/43/09/238394309.db2.gz LFTJCPMUVWMVFR-CYBMUJFWSA-N 2 0 262.372 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000423462713 238470746 /nfs/dbraw/zinc/47/07/46/238470746.db2.gz DWYMDSRYSLTGDR-MRRJBJDNSA-N 2 0 274.408 2.877 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1O ZINC000423488781 238492428 /nfs/dbraw/zinc/49/24/28/238492428.db2.gz VSIWBKWZBUGCSO-OCCSQVGLSA-N 2 0 278.396 2.584 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000423473778 238479312 /nfs/dbraw/zinc/47/93/12/238479312.db2.gz OCDHCVCGAMVKBQ-TUKIKUTGSA-N 2 0 278.444 2.688 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cnn1C(C)C ZINC000423537670 238521087 /nfs/dbraw/zinc/52/10/87/238521087.db2.gz KMAGJAKBVGBGPK-ZDUSSCGKSA-N 2 0 276.428 2.733 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423559753 238529003 /nfs/dbraw/zinc/52/90/03/238529003.db2.gz OYFMDHYTPOCXQM-CYBMUJFWSA-N 2 0 260.381 2.656 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739758 541062806 /nfs/dbraw/zinc/06/28/06/541062806.db2.gz NEJHIFVOFXUCJJ-LBPRGKRZSA-N 2 0 289.379 2.670 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)CCCn2ccnc2)cc1 ZINC000182662317 189330347 /nfs/dbraw/zinc/33/03/47/189330347.db2.gz XGFQXQWIIARPHP-AWEZNQCLSA-N 2 0 273.380 2.975 20 0 CFADRP C[NH+](C)C(C)(C)CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144790 238681331 /nfs/dbraw/zinc/68/13/31/238681331.db2.gz YBXHVIUBCMLATH-OAHLLOKOSA-N 2 0 297.487 2.521 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000671751315 541078603 /nfs/dbraw/zinc/07/86/03/541078603.db2.gz CKLIYYCWCKPQMC-ZACQAIPSSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(CO)c1 ZINC000183953868 189373078 /nfs/dbraw/zinc/37/30/78/189373078.db2.gz LPQNQMFRFKCCGY-OAHLLOKOSA-N 2 0 290.451 2.952 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000666624539 541123326 /nfs/dbraw/zinc/12/33/26/541123326.db2.gz OCIHGCXTTDLJKF-AWEZNQCLSA-N 2 0 257.381 2.696 20 0 CFADRP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OC ZINC000666825531 541148357 /nfs/dbraw/zinc/14/83/57/541148357.db2.gz ZQDOLWIWEDBZEG-QWHCGFSZSA-N 2 0 280.412 2.557 20 0 CFADRP CC1(C[NH2+]Cc2cccc3cnccc32)CC[NH2+]CC1 ZINC000666840434 541150264 /nfs/dbraw/zinc/15/02/64/541150264.db2.gz PXBXKAJVTKVSRN-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP Fc1c(Cl)cccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000666855353 541151885 /nfs/dbraw/zinc/15/18/85/541151885.db2.gz NRUQUPCTAIUBBB-LLVKDONJSA-N 2 0 256.752 2.711 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857974 541153474 /nfs/dbraw/zinc/15/34/74/541153474.db2.gz RRVZNEXYJUCNAA-GXTWGEPZSA-N 2 0 252.427 2.801 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000666857996 541153486 /nfs/dbraw/zinc/15/34/86/541153486.db2.gz SLGVFHMUWMNDJB-GJZGRUSLSA-N 2 0 264.800 2.539 20 0 CFADRP C[NH+](C)CCOc1ccc(CNc2ccc(C[NH3+])cc2)cc1 ZINC000666863208 541154172 /nfs/dbraw/zinc/15/41/72/541154172.db2.gz QFDOWRXRWYQCJS-UHFFFAOYSA-N 2 0 299.418 2.698 20 0 CFADRP Clc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950983 541164910 /nfs/dbraw/zinc/16/49/10/541164910.db2.gz VJIZARSJBHUNFW-ZDUSSCGKSA-N 2 0 250.773 2.572 20 0 CFADRP Fc1c(Cl)cccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952067 541165919 /nfs/dbraw/zinc/16/59/19/541165919.db2.gz DXSINQDDFNXJCD-LBPRGKRZSA-N 2 0 268.763 2.711 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954386 541166266 /nfs/dbraw/zinc/16/62/66/541166266.db2.gz VZTKQXYCARFQDR-HOTGVXAUSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953753 541166715 /nfs/dbraw/zinc/16/67/15/541166715.db2.gz GWTWESXYCHNTSF-OFQRWUPVSA-N 2 0 258.409 2.910 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666955415 541167222 /nfs/dbraw/zinc/16/72/22/541167222.db2.gz HYUXTLPOSNDSSM-JYJNAYRXSA-N 2 0 256.393 2.522 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+]C1CCC3(CCOCC3)CC1)CC[NH2+]2 ZINC000666995015 541171303 /nfs/dbraw/zinc/17/13/03/541171303.db2.gz AGUAAYVBJCVFDZ-INIZCTEOSA-N 2 0 292.467 2.990 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+]C1CCC3(CCOCC3)CC1)CC[NH2+]2 ZINC000666995016 541171487 /nfs/dbraw/zinc/17/14/87/541171487.db2.gz AGUAAYVBJCVFDZ-MRXNPFEDSA-N 2 0 292.467 2.990 20 0 CFADRP COc1ccc(C)cc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998113 541172142 /nfs/dbraw/zinc/17/21/42/541172142.db2.gz BQUSJLUAWXXUBA-OAHLLOKOSA-N 2 0 274.408 2.768 20 0 CFADRP c1cnn(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2)c1 ZINC000666996953 541172182 /nfs/dbraw/zinc/17/21/82/541172182.db2.gz NNLMFEBYUZPRHP-MRXNPFEDSA-N 2 0 296.418 2.637 20 0 CFADRP Fc1cc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc(F)c1F ZINC000666998545 541172480 /nfs/dbraw/zinc/17/24/80/541172480.db2.gz ZUNVWKAELSMPFZ-LLVKDONJSA-N 2 0 284.325 2.868 20 0 CFADRP C(C[NH2+]Cc1nc2c(s1)CCCC2)C[C@H]1CCC[NH2+]1 ZINC000666903242 541158280 /nfs/dbraw/zinc/15/82/80/541158280.db2.gz BGOYREICKIAJQN-LBPRGKRZSA-N 2 0 279.453 2.644 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666903236 541158456 /nfs/dbraw/zinc/15/84/56/541158456.db2.gz ATNSINXXUKYYBK-GJZGRUSLSA-N 2 0 274.408 2.675 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)C[NH+](C)C ZINC000425932195 239140005 /nfs/dbraw/zinc/14/00/05/239140005.db2.gz OZDKDGLMBMVQQN-VXGBXAGGSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)C[NH+](C)C ZINC000425942023 239143207 /nfs/dbraw/zinc/14/32/07/239143207.db2.gz DJQUBQGOXIAYCT-ODIFPOPNSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@H](C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C(C)(C)C ZINC000667054136 541179633 /nfs/dbraw/zinc/17/96/33/541179633.db2.gz OFLPSANLGNLHEQ-BMFZPTHFSA-N 2 0 282.472 2.887 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000186565255 189443569 /nfs/dbraw/zinc/44/35/69/189443569.db2.gz GAVNRRWDJUMVMO-LSDHHAIUSA-N 2 0 293.430 2.502 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428030313 239361097 /nfs/dbraw/zinc/36/10/97/239361097.db2.gz HTDWWXWFTXVIGU-IAGOWNOFSA-N 2 0 258.409 2.611 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667788009 541315142 /nfs/dbraw/zinc/31/51/42/541315142.db2.gz FMVOLZSKYBGPBE-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667787672 541315218 /nfs/dbraw/zinc/31/52/18/541315218.db2.gz XLAAEOZUBFAPNU-ATLSCFEFSA-N 2 0 294.483 2.902 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667788010 541315344 /nfs/dbraw/zinc/31/53/44/541315344.db2.gz FMVOLZSKYBGPBE-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP C1CC1[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000667891755 541335860 /nfs/dbraw/zinc/33/58/60/541335860.db2.gz WUYJEMNXTYDMJP-WMZOPIPTSA-N 2 0 292.467 2.941 20 0 CFADRP C1CC1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000667896588 541336870 /nfs/dbraw/zinc/33/68/70/541336870.db2.gz WMMIWCLGMHBNFR-DOTOQJQBSA-N 2 0 278.440 2.551 20 0 CFADRP CCCOc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)c1 ZINC000668077638 541378864 /nfs/dbraw/zinc/37/88/64/541378864.db2.gz TZJCRUUYCXKTHC-CALCHBBNSA-N 2 0 288.435 2.777 20 0 CFADRP CCc1cccc2cc(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)oc21 ZINC000668077712 541379038 /nfs/dbraw/zinc/37/90/38/541379038.db2.gz WGUHVHQSYVILEW-IYBDPMFKSA-N 2 0 284.403 2.989 20 0 CFADRP Cc1ncc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)n1C ZINC000668074250 541379100 /nfs/dbraw/zinc/37/91/00/541379100.db2.gz RAYFEXDUPWVUMT-MRXNPFEDSA-N 2 0 287.407 2.578 20 0 CFADRP Cc1ncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)n1C ZINC000668092144 541380686 /nfs/dbraw/zinc/38/06/86/541380686.db2.gz YQIBREKZWLLWOQ-KCJUWKMLSA-N 2 0 261.291 2.501 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3CC(O)C3)CC2)C1 ZINC000432411475 240002793 /nfs/dbraw/zinc/00/27/93/240002793.db2.gz YMWURJQQLVELFD-LMMWMHBBSA-N 2 0 294.483 2.780 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433171122 240115790 /nfs/dbraw/zinc/11/57/90/240115790.db2.gz CQRMFEXGOFDMFK-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2c1 ZINC000435379778 240305082 /nfs/dbraw/zinc/30/50/82/240305082.db2.gz NKBLFGVSMYTNQJ-UVBJJODRSA-N 2 0 286.375 2.611 20 0 CFADRP CCCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615431 240331657 /nfs/dbraw/zinc/33/16/57/240331657.db2.gz HVCHJJKERKAMIH-INIZCTEOSA-N 2 0 261.413 2.826 20 0 CFADRP Cc1ncsc1C[N@H+](CC1CCC1)C[C@H]1CC[NH2+]C1 ZINC000435738755 240345207 /nfs/dbraw/zinc/34/52/07/240345207.db2.gz UFUMWJJPJBRKKC-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP COc1c(C)cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000435439740 240314654 /nfs/dbraw/zinc/31/46/54/240314654.db2.gz WUSLINCUGHPICB-INIZCTEOSA-N 2 0 276.424 2.886 20 0 CFADRP C[N@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435438018 240316182 /nfs/dbraw/zinc/31/61/82/240316182.db2.gz NINOCWQAWZQKDE-MJSXRHKHSA-N 2 0 262.372 2.913 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442918554 241022220 /nfs/dbraw/zinc/02/22/20/241022220.db2.gz HJPFUKCEIBZJPA-OAHLLOKOSA-N 2 0 298.434 2.946 20 0 CFADRP c1ccc2c(c1)C=C(C[NH2+]CC1CC[NH+](C3CC3)CC1)CO2 ZINC000446882695 241334456 /nfs/dbraw/zinc/33/44/56/241334456.db2.gz GRYJLOGDTXZQMN-UHFFFAOYSA-N 2 0 298.430 2.926 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1C ZINC000447600473 241391813 /nfs/dbraw/zinc/39/18/13/241391813.db2.gz MFTUYJYCDMUWCE-OAHLLOKOSA-N 2 0 264.413 2.532 20 0 CFADRP Cc1ccc([C@H]([NH2+]CCOCC[NH+](C)C)C2CCC2)o1 ZINC000447601720 241392062 /nfs/dbraw/zinc/39/20/62/241392062.db2.gz QVFFFHHQCRINCQ-MRXNPFEDSA-N 2 0 280.412 2.597 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@H](C)O ZINC000449538672 242011544 /nfs/dbraw/zinc/01/15/44/242011544.db2.gz HNLTXJCMDKIOEJ-WTTBNOFXSA-N 2 0 282.472 2.779 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449554094 242023762 /nfs/dbraw/zinc/02/37/62/242023762.db2.gz AHXOICCQXFFFAY-HPMDPLCASA-N 2 0 286.419 2.923 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCCOC3)C2)CC1 ZINC000674303833 541556966 /nfs/dbraw/zinc/55/69/66/541556966.db2.gz YPBOCURGOOYWEG-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCCOC3)C2)CC1 ZINC000674303830 541557097 /nfs/dbraw/zinc/55/70/97/541557097.db2.gz YPBOCURGOOYWEG-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)C3CCC3)CC2)C1 ZINC000449738939 242127609 /nfs/dbraw/zinc/12/76/09/242127609.db2.gz HBWMMDWRJLBFNL-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP CCc1cc(NCc2cn3ccc(C)cc3n2)cc[nH+]1 ZINC000450271117 242334602 /nfs/dbraw/zinc/33/46/02/242334602.db2.gz WKYGXFMYCMSQEG-UHFFFAOYSA-N 2 0 266.348 2.634 20 0 CFADRP CCc1cc(N2CCC(OCCC[NH+](C)C)CC2)cc[nH+]1 ZINC000450368151 242381335 /nfs/dbraw/zinc/38/13/35/242381335.db2.gz FGOAMPOCAYSJMK-UHFFFAOYSA-N 2 0 291.439 2.581 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000423052916 296113890 /nfs/dbraw/zinc/11/38/90/296113890.db2.gz QXGZKQURJXWVIF-RYKRPPSOSA-N 2 0 289.467 2.785 20 0 CFADRP CCN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccoc1 ZINC000675494364 541662238 /nfs/dbraw/zinc/66/22/38/541662238.db2.gz QLBYXWLQXCZCSV-OAHLLOKOSA-N 2 0 250.386 2.976 20 0 CFADRP c1cc(N2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC000675499282 541663076 /nfs/dbraw/zinc/66/30/76/541663076.db2.gz DZFBDOZBAMFIJJ-UHFFFAOYSA-N 2 0 293.414 2.893 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000037714895 296121674 /nfs/dbraw/zinc/12/16/74/296121674.db2.gz GPLPNSOMJBCOQN-DYCFOQDWSA-N 2 0 250.430 2.920 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCN1CCC(OC)CC1 ZINC000675776603 541692219 /nfs/dbraw/zinc/69/22/19/541692219.db2.gz BWZOZTKGYOHQKK-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000675783537 541693644 /nfs/dbraw/zinc/69/36/44/541693644.db2.gz JWVMSJMKFWSFLH-DOTOQJQBSA-N 2 0 287.451 2.512 20 0 CFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000675814254 541697702 /nfs/dbraw/zinc/69/77/02/541697702.db2.gz QWIOPANRVZHFBL-LSDHHAIUSA-N 2 0 292.423 2.536 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cn1 ZINC000675874406 541701249 /nfs/dbraw/zinc/70/12/49/541701249.db2.gz QLCXTXNTMFRJMG-UONOGXRCSA-N 2 0 278.444 2.845 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccncc1 ZINC000453088724 243395058 /nfs/dbraw/zinc/39/50/58/243395058.db2.gz OTONAHMZCNCVTE-INIZCTEOSA-N 2 0 261.413 2.998 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000453087861 243396504 /nfs/dbraw/zinc/39/65/04/243396504.db2.gz QGQDSKNUIFEVOA-WBVHZDCISA-N 2 0 287.451 2.867 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](C)c2ccncc2)CC1 ZINC000675927487 541710092 /nfs/dbraw/zinc/71/00/92/541710092.db2.gz HBUWVAARGVMEPI-AWEZNQCLSA-N 2 0 261.413 2.648 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000675929140 541710739 /nfs/dbraw/zinc/71/07/39/541710739.db2.gz ZJZJQKDYADJGNO-KGLIPLIRSA-N 2 0 261.413 2.505 20 0 CFADRP C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422727051 296132284 /nfs/dbraw/zinc/13/22/84/296132284.db2.gz BJVXIXCTQVIICE-BPQIPLTHSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423203368 296133422 /nfs/dbraw/zinc/13/34/22/296133422.db2.gz CIZLQGFMOSYUHH-OLZOCXBDSA-N 2 0 279.403 2.542 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000229938606 189803024 /nfs/dbraw/zinc/80/30/24/189803024.db2.gz SEGDNFNEZCMGBI-WBVHZDCISA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423392670 296153240 /nfs/dbraw/zinc/15/32/40/296153240.db2.gz LPQZINZYCVSJNM-BVGQSLNGSA-N 2 0 283.419 2.570 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1nc(C)sc1C ZINC000676841188 541799403 /nfs/dbraw/zinc/79/94/03/541799403.db2.gz FBILHUBIYDILHN-RISCZKNCSA-N 2 0 299.484 2.767 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459393191 245162556 /nfs/dbraw/zinc/16/25/56/245162556.db2.gz MGWJVFWJYMFZTH-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP CC[NH+]1C[C@@H](C)N(CC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000459463626 245186725 /nfs/dbraw/zinc/18/67/25/245186725.db2.gz OCRRAQKKKGKURZ-IAGOWNOFSA-N 2 0 289.467 2.533 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459663836 245262768 /nfs/dbraw/zinc/26/27/68/245262768.db2.gz YRMSOBUJQWSZGF-LBPRGKRZSA-N 2 0 255.321 2.648 20 0 CFADRP COCc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459730609 245289521 /nfs/dbraw/zinc/28/95/21/245289521.db2.gz KUIPQKDJKKTRIH-INIZCTEOSA-N 2 0 276.424 2.655 20 0 CFADRP CCc1ncc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459723737 245285665 /nfs/dbraw/zinc/28/56/65/245285665.db2.gz CRYOGARHAWUHGC-LBPRGKRZSA-N 2 0 267.442 2.527 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423399177 299420672 /nfs/dbraw/zinc/42/06/72/299420672.db2.gz USJYSVBOGUBWKG-MJBXVCDLSA-N 2 0 261.413 2.673 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459773741 245318653 /nfs/dbraw/zinc/31/86/53/245318653.db2.gz IVQBECNJPCIRBV-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459783970 245325735 /nfs/dbraw/zinc/32/57/35/245325735.db2.gz NPSOVLXPWOERIK-OAHLLOKOSA-N 2 0 278.444 2.594 20 0 CFADRP Cc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1F ZINC000459800355 245334637 /nfs/dbraw/zinc/33/46/37/245334637.db2.gz ZSFPPCXXTJBDPG-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CCSCC1 ZINC000187279682 299421780 /nfs/dbraw/zinc/42/17/80/299421780.db2.gz BNHSDXZDLAFJNM-QEJZJMRPSA-N 2 0 270.486 2.981 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OC)cc1 ZINC000019958982 372215983 /nfs/dbraw/zinc/21/59/83/372215983.db2.gz FCZDBNMZGPLOOU-OAHLLOKOSA-N 2 0 250.386 2.688 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2cccnc21 ZINC000020087845 372227297 /nfs/dbraw/zinc/22/72/97/372227297.db2.gz ZKFAXWVWGVHQJJ-UHFFFAOYSA-N 2 0 271.408 2.912 20 0 CFADRP C[NH+]1CCC(NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000020095262 372230722 /nfs/dbraw/zinc/23/07/22/372230722.db2.gz GJFLNPVCIRMRMP-UHFFFAOYSA-N 2 0 293.499 2.859 20 0 CFADRP C[NH+]1CCC(NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000020096438 372230821 /nfs/dbraw/zinc/23/08/21/372230821.db2.gz XQLQRNNTJSONDW-GOSISDBHSA-N 2 0 287.451 2.507 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000020093853 372231171 /nfs/dbraw/zinc/23/11/71/372231171.db2.gz KITZZYPDRBRJBV-GOSISDBHSA-N 2 0 289.467 2.753 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000032105904 372426680 /nfs/dbraw/zinc/42/66/80/372426680.db2.gz AKLSYHDGFCBNAI-CYBMUJFWSA-N 2 0 250.386 2.515 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000032120995 372430489 /nfs/dbraw/zinc/43/04/89/372430489.db2.gz ZJQOEJJECVBFSH-UHFFFAOYSA-N 2 0 274.364 2.510 20 0 CFADRP CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000034822501 372513564 /nfs/dbraw/zinc/51/35/64/372513564.db2.gz RYBJFBQLAIADMD-ZDUSSCGKSA-N 2 0 250.386 2.688 20 0 CFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037042947 372641477 /nfs/dbraw/zinc/64/14/77/372641477.db2.gz YHOISZMOXVWSSO-BBRMVZONSA-N 2 0 291.439 2.840 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000037644180 372681079 /nfs/dbraw/zinc/68/10/79/372681079.db2.gz RVQKJPQCOSMUQM-STQMWFEESA-N 2 0 280.387 2.827 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649128 372683973 /nfs/dbraw/zinc/68/39/73/372683973.db2.gz XFTGRWUFZQXSRF-ZIAGYGMSSA-N 2 0 274.408 2.830 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649166 372685467 /nfs/dbraw/zinc/68/54/67/372685467.db2.gz KRXPSWXPVIRZRW-ZBFHGGJFSA-N 2 0 288.435 2.787 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649126 372685506 /nfs/dbraw/zinc/68/55/06/372685506.db2.gz XFTGRWUFZQXSRF-KGLIPLIRSA-N 2 0 274.408 2.830 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)c1 ZINC000037679006 372689121 /nfs/dbraw/zinc/68/91/21/372689121.db2.gz CPAHWZATFRJOOC-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C[C@@H]1C ZINC000471536797 245509627 /nfs/dbraw/zinc/50/96/27/245509627.db2.gz DCRWFYTXFHFIIR-JYJNAYRXSA-N 2 0 270.461 2.615 20 0 CFADRP C[NH2+]C[C@H]1CCCN([C@H](C)c2ccc(F)cc2F)C1 ZINC000040592133 372783912 /nfs/dbraw/zinc/78/39/12/372783912.db2.gz DYWAHTUXFIABNB-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000041664383 372856720 /nfs/dbraw/zinc/85/67/20/372856720.db2.gz GIXCLFAETZMDNK-XYPWUTKMSA-N 2 0 274.408 2.800 20 0 CFADRP CC[N@H+](CCC1CC[NH2+]CC1)Cc1cccs1 ZINC000042488288 372929335 /nfs/dbraw/zinc/92/93/35/372929335.db2.gz IROAERYWLHQPAX-UHFFFAOYSA-N 2 0 252.427 2.960 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000044534716 373004393 /nfs/dbraw/zinc/00/43/93/373004393.db2.gz VHZRBLDGOYLJTP-KGLIPLIRSA-N 2 0 292.423 2.696 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000044535861 373004777 /nfs/dbraw/zinc/00/47/77/373004777.db2.gz CRUFDWBFJYBKPU-ZDUSSCGKSA-N 2 0 284.350 2.719 20 0 CFADRP CCCn1c(C[NH2+]CCCC[NH+](C)C)nc2ccccc21 ZINC000045664217 373027648 /nfs/dbraw/zinc/02/76/48/373027648.db2.gz QUVNNHIPGWFSBV-UHFFFAOYSA-N 2 0 288.439 2.878 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2ncccc2c1 ZINC000571385049 383688653 /nfs/dbraw/zinc/68/86/53/383688653.db2.gz SQZWPOYOMXTHNT-SFYZZRBRSA-N 2 0 281.403 2.840 20 0 CFADRP C(CC[NH2+]C[C@H]1CCSC1)CC[NH+]1CCCCC1 ZINC000487299854 245743101 /nfs/dbraw/zinc/74/31/01/245743101.db2.gz PJDKTCJZNLNTNV-OAHLLOKOSA-N 2 0 270.486 2.985 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000051693575 373406544 /nfs/dbraw/zinc/40/65/44/373406544.db2.gz BQXJPUXMGLHHRJ-GCVQQVDUSA-N 2 0 254.324 2.885 20 0 CFADRP COc1ccccc1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000051919502 373418394 /nfs/dbraw/zinc/41/83/94/373418394.db2.gz VYQWPAMXZSSZQC-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP CCOC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000055058813 373537768 /nfs/dbraw/zinc/53/77/68/373537768.db2.gz XBSXMGWRBBPBTI-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488430574 245855622 /nfs/dbraw/zinc/85/56/22/245855622.db2.gz NFSKPNDNKUZBHJ-GOEBONIOSA-N 2 0 252.446 2.990 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000192519515 220226425 /nfs/dbraw/zinc/22/64/25/220226425.db2.gz AMEKRAQEAGRKQR-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717885 373703516 /nfs/dbraw/zinc/70/35/16/373703516.db2.gz FVVCTEYNYOMLFA-BFQNTYOBSA-N 2 0 282.378 2.826 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000252878919 220229200 /nfs/dbraw/zinc/22/92/00/220229200.db2.gz XLFRMFCFZKVYNC-KCQAQPDRSA-N 2 0 294.826 2.908 20 0 CFADRP C[C@]1(C[NH+]2CCC(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000062911049 373771978 /nfs/dbraw/zinc/77/19/78/373771978.db2.gz NJEPLKLZDATVMP-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000062077454 373747588 /nfs/dbraw/zinc/74/75/88/373747588.db2.gz ZSEPPWDGMKAHCW-UONOGXRCSA-N 2 0 290.407 2.798 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC2(O)CCCC2)C1 ZINC000571432831 383694453 /nfs/dbraw/zinc/69/44/53/383694453.db2.gz WKARSAGMHFHRFJ-IYBDPMFKSA-N 2 0 282.472 2.639 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000070170451 374135276 /nfs/dbraw/zinc/13/52/76/374135276.db2.gz IGZHKDWILHKZKI-CQSZACIVSA-N 2 0 285.391 2.902 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000070149920 374129390 /nfs/dbraw/zinc/12/93/90/374129390.db2.gz RWYRDWZWUKXBKQ-AWEZNQCLSA-N 2 0 282.815 2.922 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000070170984 374135658 /nfs/dbraw/zinc/13/56/58/374135658.db2.gz VBIIKBNBOPXING-CQSZACIVSA-N 2 0 285.391 2.902 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000070188902 374143300 /nfs/dbraw/zinc/14/33/00/374143300.db2.gz BGIXVJCLFPZVEP-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000070189928 374144193 /nfs/dbraw/zinc/14/41/93/374144193.db2.gz PPVBXFJCZSAOGL-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](C)C[NH+](C)C ZINC000571473154 383698485 /nfs/dbraw/zinc/69/84/85/383698485.db2.gz XKSQTHHAFCINLM-XJKSGUPXSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(Br)s2)CC[NH2+]C1 ZINC000070600490 374199606 /nfs/dbraw/zinc/19/96/06/374199606.db2.gz OSPYEWYMGXWJJZ-NSHDSACASA-N 2 0 289.242 2.600 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499645 374188580 /nfs/dbraw/zinc/18/85/80/374188580.db2.gz XYEXJDFTINJIPH-AWEZNQCLSA-N 2 0 258.409 2.736 20 0 CFADRP C[C@H](C[NH2+]C/C=C\c1ccc(F)cc1)C[NH+](C)C ZINC000491561411 246079586 /nfs/dbraw/zinc/07/95/86/246079586.db2.gz SSZBLPGONITFAT-DSYXLKISSA-N 2 0 250.361 2.626 20 0 CFADRP C[C@@H](C[NH2+]C/C=C\c1ccc(F)cc1)C[NH+](C)C ZINC000491561412 246079718 /nfs/dbraw/zinc/07/97/18/246079718.db2.gz SSZBLPGONITFAT-ZFDPJTLLSA-N 2 0 250.361 2.626 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1Cl ZINC000491558851 246080537 /nfs/dbraw/zinc/08/05/37/246080537.db2.gz HFYOXOLXFHSIQB-NSHDSACASA-N 2 0 254.805 2.936 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCc2sccc2C1 ZINC000678075446 541947588 /nfs/dbraw/zinc/94/75/88/541947588.db2.gz CQUKDSOIJXJIKP-CQSZACIVSA-N 2 0 264.438 2.981 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000089139938 374873478 /nfs/dbraw/zinc/87/34/78/374873478.db2.gz NPANUYCOYWZMGS-XJKSGUPXSA-N 2 0 271.408 2.818 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089140391 374873558 /nfs/dbraw/zinc/87/35/58/374873558.db2.gz OUDWXVDBDAPBTI-NFAWXSAZSA-N 2 0 250.386 2.708 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000089147276 374874790 /nfs/dbraw/zinc/87/47/90/374874790.db2.gz JJZVIBBXWLGFDJ-AAEUAGOBSA-N 2 0 272.314 2.922 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000089609186 374930081 /nfs/dbraw/zinc/93/00/81/374930081.db2.gz ANEOAVGXYWSCSB-SQNIBIBYSA-N 2 0 295.515 2.674 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000090177024 374996693 /nfs/dbraw/zinc/99/66/93/374996693.db2.gz MXJGQANHCWFMJH-GFOFROLCSA-N 2 0 294.414 2.832 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cnn(C)c1 ZINC000090586572 375021687 /nfs/dbraw/zinc/02/16/87/375021687.db2.gz RJGBWWKXRCFKMK-WBVHZDCISA-N 2 0 292.471 2.829 20 0 CFADRP C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253394 375097797 /nfs/dbraw/zinc/09/77/97/375097797.db2.gz OHLFCYVFUAEIAU-QGZVFWFLSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccnc1 ZINC000092737801 375147264 /nfs/dbraw/zinc/14/72/64/375147264.db2.gz JXJKAZYEDQZSMF-CQSZACIVSA-N 2 0 269.392 2.994 20 0 CFADRP C[N@@H+](Cc1cc(F)cc(F)c1)CC1CC[NH+](C)CC1 ZINC000093088624 375185040 /nfs/dbraw/zinc/18/50/40/375185040.db2.gz XTTCAMMHYLBBRE-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093451379 375243183 /nfs/dbraw/zinc/24/31/83/375243183.db2.gz UPPMQYQLHLOJKA-KURKYZTESA-N 2 0 293.499 2.619 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CCC2)CC1 ZINC000093475889 375250363 /nfs/dbraw/zinc/25/03/63/375250363.db2.gz PTPFDDGPULTAOU-UHFFFAOYSA-N 2 0 287.451 2.813 20 0 CFADRP Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000093088814 375185253 /nfs/dbraw/zinc/18/52/53/375185253.db2.gz CZXIGIYMDDEREN-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000093491484 375253655 /nfs/dbraw/zinc/25/36/55/375253655.db2.gz VNCVPWLAWITUSC-IXDOHACOSA-N 2 0 273.424 2.790 20 0 CFADRP C1=CC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000093734939 375302588 /nfs/dbraw/zinc/30/25/88/375302588.db2.gz GRMYDDGBPQMHDE-KRWDZBQOSA-N 2 0 292.467 2.920 20 0 CFADRP c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000093735189 375306000 /nfs/dbraw/zinc/30/60/00/375306000.db2.gz YUPQBBIGZRXAPO-UHFFFAOYSA-N 2 0 294.464 2.825 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010780 375335500 /nfs/dbraw/zinc/33/55/00/375335500.db2.gz JNGVSXYUMNXARD-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010882 375335682 /nfs/dbraw/zinc/33/56/82/375335682.db2.gz CYOLYKRMVLWBCI-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C(C)(C)O1 ZINC000094422716 375360483 /nfs/dbraw/zinc/36/04/83/375360483.db2.gz PSUJFOSJCDQWQB-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000094519511 375365192 /nfs/dbraw/zinc/36/51/92/375365192.db2.gz VZPWQGIHKNKWKC-UHFFFAOYSA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccc(C[NH+]2CCC([NH3+])CC2)c2ccccc12 ZINC000094692726 375372260 /nfs/dbraw/zinc/37/22/60/375372260.db2.gz NCXGGRHUAWKJGW-UHFFFAOYSA-N 2 0 270.376 2.772 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000094827298 375385494 /nfs/dbraw/zinc/38/54/94/375385494.db2.gz NZIRRMCIONDKGT-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000502551782 247112151 /nfs/dbraw/zinc/11/21/51/247112151.db2.gz NQJIEYCSQHRZLI-KRWDZBQOSA-N 2 0 290.451 2.956 20 0 CFADRP CCN1C[C@H]([NH2+]CCc2csc(C(C)(C)C)n2)[C@@H](C)C1 ZINC000498354863 247080069 /nfs/dbraw/zinc/08/00/69/247080069.db2.gz RJMCRDHWQJERLB-JSGCOSHPSA-N 2 0 295.496 2.913 20 0 CFADRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCCOC2)CC1)CC1CC1 ZINC000678469780 542030771 /nfs/dbraw/zinc/03/07/71/542030771.db2.gz HEURXGGKVYGULT-GOSISDBHSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1[nH+]ccc(NC2CC([NH+]3CCCCC3)C2)c1Cl ZINC000507882891 247177647 /nfs/dbraw/zinc/17/76/47/247177647.db2.gz QTGTUGQZWZUTET-UHFFFAOYSA-N 2 0 279.815 2.894 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000678584386 542044722 /nfs/dbraw/zinc/04/47/22/542044722.db2.gz USJBUMCAAWXEQY-MLGOLLRUSA-N 2 0 292.398 2.969 20 0 CFADRP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ccccn3)C2)n1 ZINC000103474061 375750010 /nfs/dbraw/zinc/75/00/10/375750010.db2.gz BOAJDLJPQDRVFV-INIZCTEOSA-N 2 0 296.418 2.762 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C1CC[NH+](C)CC1 ZINC000678598220 542049312 /nfs/dbraw/zinc/04/93/12/542049312.db2.gz FAPJEFFEGPVGRK-YFYLHZKVSA-N 2 0 284.447 2.892 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1COc2ccccc21 ZINC000678607703 542053714 /nfs/dbraw/zinc/05/37/14/542053714.db2.gz QGWSEQHSTMLKJA-GRDNDAEWSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000111695844 375863807 /nfs/dbraw/zinc/86/38/07/375863807.db2.gz BCIFAGVYPMOUMN-BBRMVZONSA-N 2 0 269.392 2.794 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000117878896 376263520 /nfs/dbraw/zinc/26/35/20/376263520.db2.gz WICCQDARSKGLAM-UHFFFAOYSA-N 2 0 284.444 2.572 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000119996859 376523993 /nfs/dbraw/zinc/52/39/93/376523993.db2.gz YMWMZOHMPGWWST-INIZCTEOSA-N 2 0 276.424 2.511 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H](C)C1 ZINC000119858446 376489490 /nfs/dbraw/zinc/48/94/90/376489490.db2.gz BUPMSZSCORNNJZ-RHSMWYFYSA-N 2 0 275.440 2.573 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nc4c(s3)CCC4)CC[C@@H]21 ZINC000678842005 542082578 /nfs/dbraw/zinc/08/25/78/542082578.db2.gz CQNOHNQUBHCBHD-OCCSQVGLSA-N 2 0 291.464 2.548 20 0 CFADRP CC(C)[C@@H]1CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678851569 542083721 /nfs/dbraw/zinc/08/37/21/542083721.db2.gz QWAQYBHEZFNCEK-KRWDZBQOSA-N 2 0 276.424 2.857 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000120471844 376622179 /nfs/dbraw/zinc/62/21/79/376622179.db2.gz ZHTNHTLRXJYJTA-KNPMLCFXSA-N 2 0 296.842 2.692 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000678956550 542100735 /nfs/dbraw/zinc/10/07/35/542100735.db2.gz WMNHRIOASCWISB-UHFFFAOYSA-N 2 0 293.480 2.796 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000121628087 376873845 /nfs/dbraw/zinc/87/38/45/376873845.db2.gz FYBXHGXEOMNCNY-UHFFFAOYSA-N 2 0 288.435 2.785 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000121681206 376883687 /nfs/dbraw/zinc/88/36/87/376883687.db2.gz NKVWRUYNEVIQDI-CPUCHLNUSA-N 2 0 294.414 2.913 20 0 CFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124190777 377024192 /nfs/dbraw/zinc/02/41/92/377024192.db2.gz HCTRYJHJMOARDB-MRXNPFEDSA-N 2 0 289.423 2.561 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000124521649 377059556 /nfs/dbraw/zinc/05/95/56/377059556.db2.gz PEQKUFGIJMWASQ-ZENOOKHLSA-N 2 0 280.387 2.523 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2n1 ZINC000124894910 377099999 /nfs/dbraw/zinc/09/99/99/377099999.db2.gz CKDATGMOWGYRPL-CJNGLKHVSA-N 2 0 299.418 2.673 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000571696604 383718397 /nfs/dbraw/zinc/71/83/97/383718397.db2.gz CKLXSGFYOBZMQB-ROUUACIJSA-N 2 0 290.451 2.820 20 0 CFADRP CC(C)CCn1cccc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000125566149 377171221 /nfs/dbraw/zinc/17/12/21/377171221.db2.gz ZCMZSFVJUKWJKJ-INIZCTEOSA-N 2 0 277.456 2.918 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000126127907 377214723 /nfs/dbraw/zinc/21/47/23/377214723.db2.gz MBXSALGOPTZSBK-PMPSAXMXSA-N 2 0 276.424 2.835 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCOC1 ZINC000125930789 377202192 /nfs/dbraw/zinc/20/21/92/377202192.db2.gz NCERENYAUONPQD-XHSDSOJGSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCOC1 ZINC000125974105 377203769 /nfs/dbraw/zinc/20/37/69/377203769.db2.gz WKYJXJSBAZEATQ-ZNMIVQPWSA-N 2 0 270.461 2.758 20 0 CFADRP C[NH2+]C[C@H]1CCCN1CCCOc1cc(C)ccc1C ZINC000128336113 377332358 /nfs/dbraw/zinc/33/23/58/377332358.db2.gz YGTVHTVTYUYDAP-MRXNPFEDSA-N 2 0 276.424 2.756 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000129981674 377496927 /nfs/dbraw/zinc/49/69/27/377496927.db2.gz CNPMUHQIVNZJIV-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130193019 377521267 /nfs/dbraw/zinc/52/12/67/377521267.db2.gz DPYRQRSWFMTTAJ-KBRIMQKVSA-N 2 0 276.399 2.973 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000679334140 542171251 /nfs/dbraw/zinc/17/12/51/542171251.db2.gz IHECIFWPWUURAA-HZPDHXFCSA-N 2 0 270.461 2.782 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)CCCCO)CC1 ZINC000679345634 542175149 /nfs/dbraw/zinc/17/51/49/542175149.db2.gz PDKZAAQLVUDMSC-INIZCTEOSA-N 2 0 284.488 2.885 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000679394260 542186767 /nfs/dbraw/zinc/18/67/67/542186767.db2.gz ZYHJHRPGPYCGTN-CZUORRHYSA-N 2 0 262.397 2.554 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC(F)(F)C1 ZINC000529530108 383721723 /nfs/dbraw/zinc/72/17/23/383721723.db2.gz FIBUMZHIDLWJKK-LLVKDONJSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(O)c1 ZINC000130642568 377587097 /nfs/dbraw/zinc/58/70/97/377587097.db2.gz IXEVLXAXQSODBJ-DYEKYZERSA-N 2 0 260.381 2.668 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000131494781 377718225 /nfs/dbraw/zinc/71/82/25/377718225.db2.gz IOVFBUBPUAKZTJ-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000131747626 377755963 /nfs/dbraw/zinc/75/59/63/377755963.db2.gz XRZHUFUZHYHRNH-DGCLKSJQSA-N 2 0 250.411 2.578 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1cc(Br)ccc1F ZINC000131904228 377775522 /nfs/dbraw/zinc/77/55/22/377775522.db2.gz MWFGFBOJXNJULG-VIFPVBQESA-N 2 0 289.192 2.978 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000132300667 377825028 /nfs/dbraw/zinc/82/50/28/377825028.db2.gz OPJNAESPVDNCEG-NJAFHUGGSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000132439797 377838897 /nfs/dbraw/zinc/83/88/97/377838897.db2.gz QUGYHYNMEYCTRD-IRXDYDNUSA-N 2 0 289.467 2.975 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000132064649 377797199 /nfs/dbraw/zinc/79/71/99/377797199.db2.gz CHMGMVKPYVOKLE-QWRGUYRKSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)CCN1C ZINC000132724129 377871118 /nfs/dbraw/zinc/87/11/18/377871118.db2.gz GLYRRKOINJHHOB-DOTOQJQBSA-N 2 0 287.451 2.728 20 0 CFADRP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1O ZINC000132797022 377877378 /nfs/dbraw/zinc/87/73/78/377877378.db2.gz VTIBPBQWKPZBFU-UHFFFAOYSA-N 2 0 292.423 2.565 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000134412106 378012007 /nfs/dbraw/zinc/01/20/07/378012007.db2.gz GQBQUNJNQGUIRF-DOMZBBRYSA-N 2 0 264.438 2.838 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000134025417 377976869 /nfs/dbraw/zinc/97/68/69/377976869.db2.gz MRFYHMGWVUAZIN-AWEZNQCLSA-N 2 0 256.459 2.736 20 0 CFADRP CC[C@@]1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCC[NH2+]1 ZINC000134613176 378038554 /nfs/dbraw/zinc/03/85/54/378038554.db2.gz OKQFWSHBYXOAQE-KRWDZBQOSA-N 2 0 289.423 2.527 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529536900 383724333 /nfs/dbraw/zinc/72/43/33/383724333.db2.gz ADNIILVNTDELNF-NSHDSACASA-N 2 0 260.372 2.742 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600101 378204864 /nfs/dbraw/zinc/20/48/64/378204864.db2.gz PNGYPRMRZCTEFS-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP CN1CC[C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)[C@H]2C1 ZINC000529541945 383726797 /nfs/dbraw/zinc/72/67/97/383726797.db2.gz NDTGUBDBRUYSDA-RDJZCZTQSA-N 2 0 269.392 2.694 20 0 CFADRP CC(C)[NH+](CCNc1cc(N2CCCC2)ncn1)C(C)C ZINC000264335601 383727780 /nfs/dbraw/zinc/72/77/80/383727780.db2.gz MCYUILCUHHDXAC-UHFFFAOYSA-N 2 0 291.443 2.608 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CCCn1ccnc1 ZINC000149242095 378262616 /nfs/dbraw/zinc/26/26/16/378262616.db2.gz IAMZJDFLYUQINN-OAHLLOKOSA-N 2 0 259.328 2.689 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152455866 378419203 /nfs/dbraw/zinc/41/92/03/378419203.db2.gz CFZGISFRHLJSJD-TZMCWYRMSA-N 2 0 291.464 2.903 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000154198330 378547273 /nfs/dbraw/zinc/54/72/73/378547273.db2.gz VUAQMICJELDZNY-SFHVURJKSA-N 2 0 290.451 2.678 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000154326358 378556898 /nfs/dbraw/zinc/55/68/98/378556898.db2.gz QEQGBNGIZWFAEP-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000154534144 378576864 /nfs/dbraw/zinc/57/68/64/378576864.db2.gz JIYJDULETIAURH-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000154540024 378577746 /nfs/dbraw/zinc/57/77/46/378577746.db2.gz GEQAHAHLKGUZKJ-MRXNPFEDSA-N 2 0 293.455 2.656 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000154573688 378581894 /nfs/dbraw/zinc/58/18/94/378581894.db2.gz ALDUWTCEWZQLGL-JQHSSLGASA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC[NH+]1C ZINC000157909378 378660709 /nfs/dbraw/zinc/66/07/09/378660709.db2.gz MUCTXZQLQWUCLV-GVDBMIGSSA-N 3 0 281.488 2.571 20 0 CFADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000158431315 378667653 /nfs/dbraw/zinc/66/76/53/378667653.db2.gz LUZBBACUYYJJHD-GOSISDBHSA-N 2 0 294.483 2.735 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1(O)CCCC1 ZINC000331594628 378713113 /nfs/dbraw/zinc/71/31/13/378713113.db2.gz TYBUANZDDLWFHI-ZIAGYGMSSA-N 2 0 268.445 2.567 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000422777002 295332794 /nfs/dbraw/zinc/33/27/94/295332794.db2.gz BNYOVCVJQTXMGK-JKSUJKDBSA-N 2 0 268.445 2.975 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000333184660 378818939 /nfs/dbraw/zinc/81/89/39/378818939.db2.gz SQWLHDBERPVFME-CABCVRRESA-N 2 0 267.461 2.548 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+](C[C@@H]1CCCO1)C1CCCC1 ZINC000162035577 378889382 /nfs/dbraw/zinc/88/93/82/378889382.db2.gz XLXPNRKMQFIFOS-RDJZCZTQSA-N 2 0 280.456 2.894 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334192645 378906596 /nfs/dbraw/zinc/90/65/96/378906596.db2.gz IUUSXBSUNPTPLF-SFHVURJKSA-N 2 0 296.418 2.652 20 0 CFADRP C[C@H]1C[C@@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)CC[N@@H+]1C ZINC000333895047 378873907 /nfs/dbraw/zinc/87/39/07/378873907.db2.gz YBEAQLGIGWJQIK-AAEUAGOBSA-N 2 0 297.362 2.582 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000334213609 378934029 /nfs/dbraw/zinc/93/40/29/378934029.db2.gz SHTHQEJIQRLVDQ-JSGCOSHPSA-N 2 0 255.365 2.926 20 0 CFADRP CC[C@@H]([NH2+]CCCCNc1ccccn1)c1cnn(C)c1 ZINC000162835028 378937360 /nfs/dbraw/zinc/93/73/60/378937360.db2.gz IEMGADYKDIGAMT-OAHLLOKOSA-N 2 0 287.411 2.748 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000353525071 284730678 /nfs/dbraw/zinc/73/06/78/284730678.db2.gz FNMLZVSWCDWUOU-RDHHWEPZSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163382039 378967276 /nfs/dbraw/zinc/96/72/76/378967276.db2.gz QYDVCUMMMNIHTF-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163894576 378995529 /nfs/dbraw/zinc/99/55/29/378995529.db2.gz IXXWHUUZIIMPLB-HZPDHXFCSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(C3CCOCC3)CC2)CC[NH2+]1 ZINC000335278782 379015647 /nfs/dbraw/zinc/01/56/47/379015647.db2.gz PDDQXGOQGDFHQS-LSDHHAIUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000164716133 379023346 /nfs/dbraw/zinc/02/33/46/379023346.db2.gz GRQWLPIUSBMGEV-XHBSWPGZSA-N 2 0 282.378 2.826 20 0 CFADRP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Br ZINC000335276814 379012574 /nfs/dbraw/zinc/01/25/74/379012574.db2.gz IHJWSOMATPWZCO-UHFFFAOYSA-N 2 0 283.213 2.599 20 0 CFADRP COc1nc2ccccc2cc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000571862761 383733503 /nfs/dbraw/zinc/73/35/03/383733503.db2.gz NZAYKSUJOJBREB-CJNGLKHVSA-N 2 0 299.418 2.660 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(CC)o1 ZINC000166066481 379050180 /nfs/dbraw/zinc/05/01/80/379050180.db2.gz KTZSQORHBLLJSQ-HIFRSBDPSA-N 2 0 282.428 2.849 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)C12CCC2 ZINC000166241597 379052798 /nfs/dbraw/zinc/05/27/98/379052798.db2.gz CVXMZVWUHBBUHP-LQKXBSAESA-N 2 0 278.440 2.549 20 0 CFADRP CC(C)c1ncc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC000335321114 379082820 /nfs/dbraw/zinc/08/28/20/379082820.db2.gz HOLHEWLFYVXIBV-OAHLLOKOSA-N 2 0 279.453 2.794 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335424737 379272290 /nfs/dbraw/zinc/27/22/90/379272290.db2.gz HGEOPVFFKLRBHI-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP Clc1ccccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000334449429 379319327 /nfs/dbraw/zinc/31/93/27/379319327.db2.gz QBOUUVORVOOZPO-LLVKDONJSA-N 2 0 261.756 2.710 20 0 CFADRP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335543009 379483597 /nfs/dbraw/zinc/48/35/97/379483597.db2.gz KNAMLYSTPAIZKM-IAGOWNOFSA-N 2 0 274.408 2.557 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc2cccnc2o1 ZINC000335578239 379544512 /nfs/dbraw/zinc/54/45/12/379544512.db2.gz FFEQDQSQAXUINJ-IUODEOHRSA-N 2 0 273.380 2.600 20 0 CFADRP COc1cccc(Cl)c1CN1CCC2(CC[NH2+]2)CC1 ZINC000335562369 379516094 /nfs/dbraw/zinc/51/60/94/379516094.db2.gz UTBMITSOFLVDJV-UHFFFAOYSA-N 2 0 280.799 2.677 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335565074 379519043 /nfs/dbraw/zinc/51/90/43/379519043.db2.gz NCKQKBMKQLFJRR-CRAIPNDOSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1nc2ccc(CN3CCC4(CC[NH2+]4)CC3)cc2s1 ZINC000334586510 379579425 /nfs/dbraw/zinc/57/94/25/379579425.db2.gz JFBMGHXZBBCTQZ-UHFFFAOYSA-N 2 0 287.432 2.933 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000335634176 379634199 /nfs/dbraw/zinc/63/41/99/379634199.db2.gz MYEDKVLWJQTMSA-KBPBESRZSA-N 2 0 280.362 2.786 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000334625306 379649654 /nfs/dbraw/zinc/64/96/54/379649654.db2.gz NKJQYSDOQZEZTE-NSHDSACASA-N 2 0 262.328 2.743 20 0 CFADRP Cc1ccc2cc(CN[C@@H]3CC[NH2+]C3(C)C)ccc2n1 ZINC000335645143 379652671 /nfs/dbraw/zinc/65/26/71/379652671.db2.gz AJMCUCPKOFEDSI-MRXNPFEDSA-N 2 0 269.392 2.773 20 0 CFADRP Cc1ncsc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335673904 379700042 /nfs/dbraw/zinc/70/00/42/379700042.db2.gz AIKNPIOMCMKUEZ-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000173895137 379794987 /nfs/dbraw/zinc/79/49/87/379794987.db2.gz HYEQCFCRDBJJFT-INIZCTEOSA-N 2 0 298.434 2.646 20 0 CFADRP COC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000173839551 379786129 /nfs/dbraw/zinc/78/61/29/379786129.db2.gz RMSCPOJHZHKWNH-OAHLLOKOSA-N 2 0 276.424 2.797 20 0 CFADRP Cc1cccn2c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cnc12 ZINC000335756601 379838849 /nfs/dbraw/zinc/83/88/49/379838849.db2.gz QCDNNPOOGWBQQZ-QGZVFWFLSA-N 2 0 298.434 2.607 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(CO)o1 ZINC000174272543 379855592 /nfs/dbraw/zinc/85/55/92/379855592.db2.gz JRXPRGPCFMEWHS-CQSZACIVSA-N 2 0 280.412 2.516 20 0 CFADRP COC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000174002095 379813256 /nfs/dbraw/zinc/81/32/56/379813256.db2.gz PTSSLBOKXVXYFG-OAHLLOKOSA-N 2 0 276.424 2.523 20 0 CFADRP c1cn2c(cccc2C[N@@H+]2CCC[C@@]3(CCCOC3)C2)n1 ZINC000335777413 379871913 /nfs/dbraw/zinc/87/19/13/379871913.db2.gz XGPJNECHDNPJSJ-QGZVFWFLSA-N 2 0 285.391 2.727 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc2cccnc12 ZINC000335791547 379895108 /nfs/dbraw/zinc/89/51/08/379895108.db2.gz GABNQLZLZQIRRH-UHFFFAOYSA-N 2 0 269.392 2.727 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc3OC2)CCCCC1 ZINC000335010810 379956524 /nfs/dbraw/zinc/95/65/24/379956524.db2.gz QBYFSDYYZJZBFN-HNNXBMFYSA-N 2 0 274.408 2.631 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1CCC1 ZINC000335033278 379959727 /nfs/dbraw/zinc/95/97/27/379959727.db2.gz FOJTZJRKKHWHCM-NVXWUHKLSA-N 2 0 272.392 2.632 20 0 CFADRP CCc1ncc(C[N@@H+]2CCCC23CC[NH+](C)CC3)s1 ZINC000335858422 380007334 /nfs/dbraw/zinc/00/73/34/380007334.db2.gz XIBQGEAICOSACQ-UHFFFAOYSA-N 2 0 279.453 2.766 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335217353 380023785 /nfs/dbraw/zinc/02/37/85/380023785.db2.gz MMCOPDCDOPHCFO-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12CCOCC2 ZINC000335254575 380089511 /nfs/dbraw/zinc/08/95/11/380089511.db2.gz ZBLVEOXONOUHTD-AWEZNQCLSA-N 2 0 294.826 2.527 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000335241695 380065710 /nfs/dbraw/zinc/06/57/10/380065710.db2.gz VBTLAINAKWXORZ-ZBFHGGJFSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335950812 380150066 /nfs/dbraw/zinc/15/00/66/380150066.db2.gz FQQOVZRNROEWDE-GWCFXTLKSA-N 2 0 258.356 2.637 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(C)n1 ZINC000336076808 380262472 /nfs/dbraw/zinc/26/24/72/380262472.db2.gz DCSKSAFAODWMOY-OAHLLOKOSA-N 2 0 270.380 2.801 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177217168 380316712 /nfs/dbraw/zinc/31/67/12/380316712.db2.gz AONYKXHFOVWWSU-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC2(CCC[NH+]2C)CC1 ZINC000336199025 380286490 /nfs/dbraw/zinc/28/64/90/380286490.db2.gz YHYFSWNFEXXTHU-KRWDZBQOSA-N 2 0 293.499 2.810 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000452056675 383744530 /nfs/dbraw/zinc/74/45/30/383744530.db2.gz ULWJHQBETCLAOJ-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP Cc1csc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000336514317 380393908 /nfs/dbraw/zinc/39/39/08/380393908.db2.gz NDAKAGJWWSXXGP-STQMWFEESA-N 2 0 250.411 2.773 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000336440188 380348495 /nfs/dbraw/zinc/34/84/95/380348495.db2.gz SVQXAENCQHDLKT-WMLDXEAASA-N 2 0 272.436 2.721 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CCOc3ccc(F)cc32)[C@H](C)C1 ZINC000178097431 380409549 /nfs/dbraw/zinc/40/95/49/380409549.db2.gz MTJIQZDRBABJBJ-UHOFOFEASA-N 2 0 292.398 2.969 20 0 CFADRP COCCC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000178098928 380409700 /nfs/dbraw/zinc/40/97/00/380409700.db2.gz SFRFIDSBKKBUMR-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1csc(C2([NH2+]CC3CC[NH2+]CC3)CCCC2)n1 ZINC000178982911 380498446 /nfs/dbraw/zinc/49/84/46/380498446.db2.gz RTNNDTAJYBYRKP-UHFFFAOYSA-N 2 0 279.453 2.810 20 0 CFADRP COCC1CCC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000449087993 284834355 /nfs/dbraw/zinc/83/43/55/284834355.db2.gz HGBSHDROGRPOTA-KLAILNCOSA-N 2 0 282.472 2.903 20 0 CFADRP COCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000179232924 380522280 /nfs/dbraw/zinc/52/22/80/380522280.db2.gz LDOYIYXCVDNUOZ-ROUUACIJSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC[NH+]2CCC2)C1 ZINC000572014656 383747480 /nfs/dbraw/zinc/74/74/80/383747480.db2.gz DUHKOFHDIITOKR-AEFFLSMTSA-N 2 0 287.451 2.507 20 0 CFADRP COCC1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000423195935 284836607 /nfs/dbraw/zinc/83/66/07/284836607.db2.gz YNSKFNAOUJPFSA-IWCVFHTOSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654534 380584466 /nfs/dbraw/zinc/58/44/66/380584466.db2.gz BKUSOPXPTKAOSC-ZWKOTPCHSA-N 2 0 289.467 2.566 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OC(F)F ZINC000336792865 380639102 /nfs/dbraw/zinc/63/91/02/380639102.db2.gz UMRLJCOIPAMPMF-SNVBAGLBSA-N 2 0 258.312 2.505 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000336794669 380643555 /nfs/dbraw/zinc/64/35/55/380643555.db2.gz DSCZGPQBNHJSDC-ZJUUUORDSA-N 2 0 260.303 2.951 20 0 CFADRP C[C@@H](O)CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336659437 380586298 /nfs/dbraw/zinc/58/62/98/380586298.db2.gz XSJFSNXYVSXWQP-AEFFLSMTSA-N 2 0 290.451 2.601 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000179910103 380595499 /nfs/dbraw/zinc/59/54/99/380595499.db2.gz MKUIFJXGUKGORM-OKZBNKHCSA-N 2 0 295.515 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000336711916 380603946 /nfs/dbraw/zinc/60/39/46/380603946.db2.gz PZHVYEASRWGGHZ-RDBSUJKOSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000336713318 380604933 /nfs/dbraw/zinc/60/49/33/380604933.db2.gz MSLPKMSRFYPXAO-NVXWUHKLSA-N 2 0 276.424 2.666 20 0 CFADRP Cc1cc(NC[C@H](C)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000336812372 380673573 /nfs/dbraw/zinc/67/35/73/380673573.db2.gz ABZFBRMAAIXWRB-LBPRGKRZSA-N 2 0 257.381 2.575 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2scnc2C)C[C@H]1C ZINC000336801617 380654998 /nfs/dbraw/zinc/65/49/98/380654998.db2.gz QSMIKLNNOAEJGY-TZMCWYRMSA-N 2 0 281.469 2.799 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C=CCCC2)[C@H](C)C1 ZINC000181291205 380770565 /nfs/dbraw/zinc/77/05/65/380770565.db2.gz CHABPLQKXBQHSB-IXDOHACOSA-N 2 0 280.456 2.822 20 0 CFADRP CSCC1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000400729961 380864746 /nfs/dbraw/zinc/86/47/46/380864746.db2.gz QHGAZAWQLIORLH-RYSNWHEDSA-N 2 0 256.459 2.638 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000400572717 380864909 /nfs/dbraw/zinc/86/49/09/380864909.db2.gz QVYDFCFICLMOSG-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(C)(C)[NH3+] ZINC000347003114 380867698 /nfs/dbraw/zinc/86/76/98/380867698.db2.gz KMJQBSCXZUDYEJ-YPMHNXCESA-N 2 0 250.361 2.741 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCOC2CCC2)CC1 ZINC000347003490 380868657 /nfs/dbraw/zinc/86/86/57/380868657.db2.gz YJFMBXCIHUBJJD-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)C(C)(C)C)C1 ZINC000336847534 296313980 /nfs/dbraw/zinc/31/39/80/296313980.db2.gz WSDFNOXIKYRYCQ-IKGGRYGDSA-N 2 0 296.499 2.980 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000346976826 380839348 /nfs/dbraw/zinc/83/93/48/380839348.db2.gz KFBSMLXYVNUNBV-DOTOQJQBSA-N 2 0 273.424 2.563 20 0 CFADRP C[C@@H]([NH2+]Cc1ccn(C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358489681 380879063 /nfs/dbraw/zinc/87/90/63/380879063.db2.gz YFLCPTQVZSPRSF-GDBMZVCRSA-N 2 0 275.440 2.768 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346986029 380849232 /nfs/dbraw/zinc/84/92/32/380849232.db2.gz RMPFYJYZGIROFT-HLLBOEOZSA-N 2 0 258.409 2.864 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000347013448 380879161 /nfs/dbraw/zinc/87/91/61/380879161.db2.gz WNIQYVRUAOIRGX-WBVHZDCISA-N 2 0 290.451 2.805 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000399980644 380851545 /nfs/dbraw/zinc/85/15/45/380851545.db2.gz GRQYKOXTFMQRPW-TZMCWYRMSA-N 2 0 252.427 2.972 20 0 CFADRP CC(C)([NH3+])C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000346993004 380857431 /nfs/dbraw/zinc/85/74/31/380857431.db2.gz UIBYJBYEKHWTDX-CYBMUJFWSA-N 2 0 264.438 2.838 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346995579 380860816 /nfs/dbraw/zinc/86/08/16/380860816.db2.gz BMQAYXDOZYHLKH-OAHLLOKOSA-N 2 0 283.419 2.975 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000347081289 380926403 /nfs/dbraw/zinc/92/64/03/380926403.db2.gz XTUXSYBZUOXQSR-NSHDSACASA-N 2 0 281.469 3.000 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000347017364 380882576 /nfs/dbraw/zinc/88/25/76/380882576.db2.gz DMMJMOAVAGHCNY-NWDGAFQWSA-N 2 0 293.480 2.827 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347017561 380883389 /nfs/dbraw/zinc/88/33/89/380883389.db2.gz DUUHUMUFKUSJRZ-HLLBOEOZSA-N 2 0 260.425 2.924 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000181746060 380884098 /nfs/dbraw/zinc/88/40/98/380884098.db2.gz GRYIZVGWHKNKSB-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000347032926 380893335 /nfs/dbraw/zinc/89/33/35/380893335.db2.gz FCAFKQQMEHINPQ-CQSZACIVSA-N 2 0 298.434 2.944 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347039633 380898304 /nfs/dbraw/zinc/89/83/04/380898304.db2.gz HPZBTDDCFOROPP-DOMZBBRYSA-N 2 0 292.471 2.814 20 0 CFADRP Cc1sccc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000295506281 380901757 /nfs/dbraw/zinc/90/17/57/380901757.db2.gz YUTHATOYRRYLHZ-RISCZKNCSA-N 2 0 252.427 2.971 20 0 CFADRP Cc1sccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000295506275 380902178 /nfs/dbraw/zinc/90/21/78/380902178.db2.gz YUTHATOYRRYLHZ-FZMZJTMJSA-N 2 0 252.427 2.971 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347064493 380918134 /nfs/dbraw/zinc/91/81/34/380918134.db2.gz KKNAKJVDRQYXMS-GXTWGEPZSA-N 2 0 298.377 2.890 20 0 CFADRP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000347066397 380918754 /nfs/dbraw/zinc/91/87/54/380918754.db2.gz ZQSFCTQBOSFVDX-OAHLLOKOSA-N 2 0 298.471 2.630 20 0 CFADRP Cc1ccc(CCC[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000353909390 380949628 /nfs/dbraw/zinc/94/96/28/380949628.db2.gz AJQSSSHSRQBDBS-UHFFFAOYSA-N 2 0 263.429 2.643 20 0 CFADRP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000182080758 380984978 /nfs/dbraw/zinc/98/49/78/380984978.db2.gz FYYJGMATTFRFCE-MRXNPFEDSA-N 2 0 298.471 2.628 20 0 CFADRP CSC1(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCC1 ZINC000368228328 380960776 /nfs/dbraw/zinc/96/07/76/380960776.db2.gz VQRBZSOUWTVTSI-KFWWJZLASA-N 2 0 280.481 2.688 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000347111937 380947223 /nfs/dbraw/zinc/94/72/23/380947223.db2.gz QMQAUSGMYDVJAR-LBPRGKRZSA-N 2 0 298.377 2.890 20 0 CFADRP Cc1nccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000288236983 381009708 /nfs/dbraw/zinc/00/97/08/381009708.db2.gz NVQQGENQMBCBFL-BBRMVZONSA-N 2 0 282.391 2.860 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000368447892 381028307 /nfs/dbraw/zinc/02/83/07/381028307.db2.gz WGJYDLNMOYWAHK-DISONHOPSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000182226728 381030257 /nfs/dbraw/zinc/03/02/57/381030257.db2.gz GUFIFTMNTDUNJN-RDTXWAMCSA-N 2 0 288.435 2.531 20 0 CFADRP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358656299 380995414 /nfs/dbraw/zinc/99/54/14/380995414.db2.gz XUPXPZAUFDRTIQ-KBPBESRZSA-N 2 0 270.461 2.636 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000358743265 381049211 /nfs/dbraw/zinc/04/92/11/381049211.db2.gz CANJSAKFKFAFKJ-HOCLYGCPSA-N 2 0 292.471 2.754 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCF ZINC000368501455 381049517 /nfs/dbraw/zinc/04/95/17/381049517.db2.gz BANASGGRQRPXNE-PMPSAXMXSA-N 2 0 286.435 2.605 20 0 CFADRP COc1cncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000289613201 381068040 /nfs/dbraw/zinc/06/80/40/381068040.db2.gz ARXVVIWEIJRQSO-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000354087661 381071833 /nfs/dbraw/zinc/07/18/33/381071833.db2.gz DQWCMEOZUUIJHW-CQSZACIVSA-N 2 0 282.453 2.681 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368485688 381038856 /nfs/dbraw/zinc/03/88/56/381038856.db2.gz JSYITDFGMDMAKQ-ROUUACIJSA-N 2 0 287.451 2.820 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000368485687 381039247 /nfs/dbraw/zinc/03/92/47/381039247.db2.gz JSYITDFGMDMAKQ-QZTJIDSGSA-N 2 0 287.451 2.820 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368608870 381083209 /nfs/dbraw/zinc/08/32/09/381083209.db2.gz SQYZBWHXHPLJDB-UPJWGTAASA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368608998 381083651 /nfs/dbraw/zinc/08/36/51/381083651.db2.gz ULDQHNHGGARGBI-LEOABGAYSA-N 2 0 292.423 2.554 20 0 CFADRP CCN1CCC([NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000347350639 381090101 /nfs/dbraw/zinc/09/01/01/381090101.db2.gz WXJSYSLEEBISSG-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000354124727 381094063 /nfs/dbraw/zinc/09/40/63/381094063.db2.gz OGFVPGAOMRGHMI-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CCCO[C@@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000358804567 381095146 /nfs/dbraw/zinc/09/51/46/381095146.db2.gz JNMXKHACUULKNL-DLBZAZTESA-N 2 0 298.471 2.726 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000354147659 381107917 /nfs/dbraw/zinc/10/79/17/381107917.db2.gz UUIVTIIPAKVQMU-YESZJQIVSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000354095827 381076335 /nfs/dbraw/zinc/07/63/35/381076335.db2.gz FMGZQNDFVRKNDP-HNNXBMFYSA-N 2 0 296.480 2.989 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(O)c2)C1 ZINC000354099011 381078572 /nfs/dbraw/zinc/07/85/72/381078572.db2.gz AICOFDMVUXMRRH-INIZCTEOSA-N 2 0 274.408 2.556 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000680130842 542281676 /nfs/dbraw/zinc/28/16/76/542281676.db2.gz SCOWUSHCNYZRRP-CYBMUJFWSA-N 2 0 292.333 2.853 20 0 CFADRP Cc1ccc(CCC[NH2+]CCC2CC[NH+](C)CC2)cn1 ZINC000354327515 381204637 /nfs/dbraw/zinc/20/46/37/381204637.db2.gz HDPDXSAHEFIRPC-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369194331 381211217 /nfs/dbraw/zinc/21/12/17/381211217.db2.gz OUKITSSZYXPVIB-KSZLIROESA-N 2 0 295.515 2.626 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000354336978 381212794 /nfs/dbraw/zinc/21/27/94/381212794.db2.gz ZJVWUCFNKKZEEB-CYBMUJFWSA-N 2 0 286.460 2.532 20 0 CFADRP C[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100230 381215562 /nfs/dbraw/zinc/21/55/62/381215562.db2.gz HFSSZWSZXBHAPH-GDBMZVCRSA-N 2 0 278.440 2.576 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1O ZINC000290019832 381262485 /nfs/dbraw/zinc/26/24/85/381262485.db2.gz AICQKZYYSPSKOS-MBNYWOFBSA-N 2 0 290.407 2.677 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC000290018824 381263135 /nfs/dbraw/zinc/26/31/35/381263135.db2.gz CDIXCILSXDPJJB-GDBMZVCRSA-N 2 0 294.439 2.703 20 0 CFADRP C[NH+](C)[C@@]1(CNc2cc[nH+]c3ccccc23)CCSC1 ZINC000359025963 381220733 /nfs/dbraw/zinc/22/07/33/381220733.db2.gz DVQANPMRNAPNML-MRXNPFEDSA-N 2 0 287.432 2.506 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](CCC2CC2)CC1 ZINC000347601490 381248987 /nfs/dbraw/zinc/24/89/87/381248987.db2.gz MLEJQGAIXTWRFR-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)C1CC[NH2+]CC1 ZINC000359212287 381288993 /nfs/dbraw/zinc/28/89/93/381288993.db2.gz GTLINSUKZIRCJA-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP c1cc(C[N@@H+](CCC2CC[NH2+]CC2)Cc2ccccc2)n[nH]1 ZINC000359210843 381289283 /nfs/dbraw/zinc/28/92/83/381289283.db2.gz DUAHBQIVBCJXIF-UHFFFAOYSA-N 2 0 298.434 2.802 20 0 CFADRP Cc1ccc2ncc(C[NH2+]CCC(C)(F)F)n2c1 ZINC000296188845 381292444 /nfs/dbraw/zinc/29/24/44/381292444.db2.gz YGPPARGGMANCGC-UHFFFAOYSA-N 2 0 253.296 2.778 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2COc3c(C)cccc3C2)[C@@H](C)C1 ZINC000290097524 381297453 /nfs/dbraw/zinc/29/74/53/381297453.db2.gz HTPSNOBSUFPZHF-UAGQMJEPSA-N 2 0 288.435 2.618 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc2C1 ZINC000359227281 381299253 /nfs/dbraw/zinc/29/92/53/381299253.db2.gz WFYIDZHDPILDCO-SFHVURJKSA-N 2 0 272.436 2.865 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000342425702 381325273 /nfs/dbraw/zinc/32/52/73/381325273.db2.gz XYYMAOIMDJSXHX-OAHLLOKOSA-N 2 0 288.439 2.853 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000359318527 381346470 /nfs/dbraw/zinc/34/64/70/381346470.db2.gz YQPYCQHIKIJIGS-HZSPNIEDSA-N 2 0 266.454 2.917 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)OC ZINC000290237346 381353609 /nfs/dbraw/zinc/35/36/09/381353609.db2.gz SGRNVISFVMJVEZ-GOEBONIOSA-N 2 0 294.439 2.703 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCn2ccnc2C)CC1 ZINC000342548775 381391302 /nfs/dbraw/zinc/39/13/02/381391302.db2.gz LRTDZYVMMBNUNT-UHFFFAOYSA-N 2 0 292.471 2.635 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccnc3Cl)C2)CC1 ZINC000290368342 381401561 /nfs/dbraw/zinc/40/15/61/381401561.db2.gz HHHIYMPFYHMYIK-AWEZNQCLSA-N 2 0 293.842 2.899 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccnc3Cl)C2)CC1 ZINC000290368353 381402041 /nfs/dbraw/zinc/40/20/41/381402041.db2.gz HHHIYMPFYHMYIK-CQSZACIVSA-N 2 0 293.842 2.899 20 0 CFADRP C[C@H](CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000184496858 381422954 /nfs/dbraw/zinc/42/29/54/381422954.db2.gz XOMUFMWTSPXPPS-VQHPVUNQSA-N 3 0 281.488 2.569 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2ccccc2)CC1 ZINC000290450685 381433907 /nfs/dbraw/zinc/43/39/07/381433907.db2.gz WBBOLDAPAOYFDO-YOEHRIQHSA-N 2 0 276.424 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccsc2)C1 ZINC000290406005 381417808 /nfs/dbraw/zinc/41/78/08/381417808.db2.gz JTJHHCSNZCTRAY-KGLIPLIRSA-N 2 0 250.411 2.664 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184457568 381419275 /nfs/dbraw/zinc/41/92/75/381419275.db2.gz ZKBSWPVDFVVQGT-OAHLLOKOSA-N 2 0 290.455 2.982 20 0 CFADRP COC[C@H]([NH2+]CCCc1cnccc1C)c1ccco1 ZINC000290558102 381477887 /nfs/dbraw/zinc/47/78/87/381477887.db2.gz ZLKZLUCCLORHEP-HNNXBMFYSA-N 2 0 274.364 2.893 20 0 CFADRP CC(C)[C@H](C)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370628698 381480500 /nfs/dbraw/zinc/48/05/00/381480500.db2.gz LHLRFMXUGVKJQX-DOTOQJQBSA-N 2 0 275.440 2.928 20 0 CFADRP Cc1ccoc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290519955 381464308 /nfs/dbraw/zinc/46/43/08/381464308.db2.gz PZYKIRNKIJIAHT-OAHLLOKOSA-N 2 0 262.397 2.752 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccs2)C1 ZINC000290530974 381467554 /nfs/dbraw/zinc/46/75/54/381467554.db2.gz QRVADGPFTYWLNB-JSGCOSHPSA-N 2 0 250.411 2.664 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000342673196 381470903 /nfs/dbraw/zinc/47/09/03/381470903.db2.gz GZCGCSPIDQXVFO-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000359607218 381503913 /nfs/dbraw/zinc/50/39/13/381503913.db2.gz ZQLFDWYWKRTBKU-HNNXBMFYSA-N 2 0 261.413 2.734 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000359621276 381513362 /nfs/dbraw/zinc/51/33/62/381513362.db2.gz OVNHQVVHYHQRGL-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccs3)C2)CC1 ZINC000290601127 381495739 /nfs/dbraw/zinc/49/57/39/381495739.db2.gz VYMVWJQPBKHZPB-CQSZACIVSA-N 2 0 264.438 2.912 20 0 CFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](CCC4CC4)C[C@H]3C2)cc1 ZINC000348316382 381503147 /nfs/dbraw/zinc/50/31/47/381503147.db2.gz JPTNXRKBKOBUEE-ROUUACIJSA-N 2 0 270.420 2.850 20 0 CFADRP C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[C@H]1CCCCO1 ZINC000354988474 381552863 /nfs/dbraw/zinc/55/28/63/381552863.db2.gz OLGRJDDNWQVXDA-OWCLPIDISA-N 2 0 266.429 2.552 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000414307614 381576363 /nfs/dbraw/zinc/57/63/63/381576363.db2.gz HIZXAEFFXRPNFG-IRKLFDGPSA-N 2 0 280.456 2.654 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298081887 381577459 /nfs/dbraw/zinc/57/74/59/381577459.db2.gz LXMXSXHESUXSQE-HNNXBMFYSA-N 2 0 259.397 2.829 20 0 CFADRP C(C[NH+]1CCCCC1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371198225 381565169 /nfs/dbraw/zinc/56/51/69/381565169.db2.gz LSZSWBQORWFVEI-SFHVURJKSA-N 2 0 293.499 2.670 20 0 CFADRP CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297630335 381567494 /nfs/dbraw/zinc/56/74/94/381567494.db2.gz LXNOAGAVEIIWPF-HNNXBMFYSA-N 2 0 299.418 2.518 20 0 CFADRP COCC(C)(C)CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000348433673 381567605 /nfs/dbraw/zinc/56/76/05/381567605.db2.gz VMAYJPAPLHWJQE-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CCOC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000348437839 381569115 /nfs/dbraw/zinc/56/91/15/381569115.db2.gz GBLKXKHTYVIQQX-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc([C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)[nH]n1 ZINC000371212192 381570040 /nfs/dbraw/zinc/57/00/40/381570040.db2.gz HRPCKXMMDHUZNL-HZPDHXFCSA-N 2 0 290.455 2.772 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414703283 381600926 /nfs/dbraw/zinc/60/09/26/381600926.db2.gz JLSQLLXZRYMLLW-HOCLYGCPSA-N 2 0 275.440 2.573 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccsc1Cl ZINC000359764107 381601435 /nfs/dbraw/zinc/60/14/35/381601435.db2.gz IUFZTHWFAMLIOT-GFCCVEGCSA-N 2 0 290.860 2.848 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(F)cc(F)cc3C2)CC[NH2+]1 ZINC000414716459 381602302 /nfs/dbraw/zinc/60/23/02/381602302.db2.gz ZWGCVHJHIXOLLD-NEPJUHHUSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414825101 381607948 /nfs/dbraw/zinc/60/79/48/381607948.db2.gz RXPYHUWFAQMJMF-IPYPFGDCSA-N 2 0 264.388 2.734 20 0 CFADRP COCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[C@@H](C)C1 ZINC000414752806 381602861 /nfs/dbraw/zinc/60/28/61/381602861.db2.gz LJBZIPJGVKPJOK-FPCVCCKLSA-N 2 0 268.445 2.512 20 0 CFADRP Fc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414782708 381605537 /nfs/dbraw/zinc/60/55/37/381605537.db2.gz ORRZPBPRTJECOM-NWDGAFQWSA-N 2 0 298.352 2.925 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@H]2c2nccs2)CC[NH2+]1 ZINC000414763678 381605891 /nfs/dbraw/zinc/60/58/91/381605891.db2.gz XVROAFVFGUWXTH-AGIUHOORSA-N 2 0 297.493 2.621 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccnc(OC)c2)CC1 ZINC000342865445 381594715 /nfs/dbraw/zinc/59/47/15/381594715.db2.gz VMQIADPOJZDLLB-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP Cc1cccc2c(NC[C@](C)(O)C[NH+](C)C)c(C)c[nH+]c12 ZINC000185359865 381610951 /nfs/dbraw/zinc/61/09/51/381610951.db2.gz UYLMNONTXAFEMR-KRWDZBQOSA-N 2 0 287.407 2.576 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414937330 381628799 /nfs/dbraw/zinc/62/87/99/381628799.db2.gz VMPSRAKBUTUADN-GOEBONIOSA-N 2 0 261.413 2.609 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355110802 381616954 /nfs/dbraw/zinc/61/69/54/381616954.db2.gz CACOJAZOMDRYJX-NUWOQIAWSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCOc2ccccc2)CC[NH2+]1 ZINC000414927825 381617251 /nfs/dbraw/zinc/61/72/51/381617251.db2.gz ABQRLHBOZHFBGM-HUUCEWRRSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414931331 381621767 /nfs/dbraw/zinc/62/17/67/381621767.db2.gz BPXZRRJZVYQEAB-IOASZLSFSA-N 2 0 264.388 2.734 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414934681 381624646 /nfs/dbraw/zinc/62/46/46/381624646.db2.gz VIJJSZZPIWGBPX-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP CCSc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414936325 381626556 /nfs/dbraw/zinc/62/65/56/381626556.db2.gz GUWKFAAAVMVRFP-SWLSCSKDSA-N 2 0 264.438 2.886 20 0 CFADRP CCCOc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414945477 381635785 /nfs/dbraw/zinc/63/57/85/381635785.db2.gz RRNOSYLZDQZPHO-UHFFFAOYSA-N 2 0 292.423 2.716 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414944312 381635943 /nfs/dbraw/zinc/63/59/43/381635943.db2.gz PPBPWSXJBMVLHQ-CXAGYDPISA-N 2 0 274.408 2.563 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000414938859 381629812 /nfs/dbraw/zinc/62/98/12/381629812.db2.gz DTAUEURIMUHGNC-RISCZKNCSA-N 2 0 297.240 2.845 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414939072 381630378 /nfs/dbraw/zinc/63/03/78/381630378.db2.gz JCVTYLYQWOONNQ-MXASKKJJSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[NH2+]1 ZINC000414940955 381631343 /nfs/dbraw/zinc/63/13/43/381631343.db2.gz CCSBXKCRRKSNQN-PBHICJAKSA-N 2 0 281.403 2.979 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414941409 381631478 /nfs/dbraw/zinc/63/14/78/381631478.db2.gz ASMLCLVATFQQKY-MSOLQXFVSA-N 2 0 290.451 2.756 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414941924 381633826 /nfs/dbraw/zinc/63/38/26/381633826.db2.gz CWORDWASCFHMRU-DZGCQCFKSA-N 2 0 262.397 2.704 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCc2ccccc2F)CCC[NH2+]1 ZINC000414955432 381647939 /nfs/dbraw/zinc/64/79/39/381647939.db2.gz NAECPLBHCWEXRU-PBHICJAKSA-N 2 0 294.414 2.505 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CN)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000414948109 381639371 /nfs/dbraw/zinc/63/93/71/381639371.db2.gz XOPAIJOIJXQJIV-ZRGWGRIASA-N 2 0 297.446 2.817 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[NH2+]1 ZINC000414949578 381641231 /nfs/dbraw/zinc/64/12/31/381641231.db2.gz NTBGOIHFAJXIKV-KDOFPFPSSA-N 2 0 281.403 2.979 20 0 CFADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414949609 381641519 /nfs/dbraw/zinc/64/15/19/381641519.db2.gz FBUKADQPFYTAGY-SOLBZPMBSA-N 2 0 289.467 2.627 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1Br ZINC000414951668 381642432 /nfs/dbraw/zinc/64/24/32/381642432.db2.gz HXRIXTRQDZDYLK-FZMZJTMJSA-N 2 0 297.240 2.845 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OC ZINC000414955642 381646346 /nfs/dbraw/zinc/64/63/46/381646346.db2.gz MIVBQCUYQSSYGE-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP Clc1ccc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cn2c1 ZINC000414960774 381656868 /nfs/dbraw/zinc/65/68/68/381656868.db2.gz ARIWYCOFRMMHGX-ZDUSSCGKSA-N 2 0 292.814 2.610 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414961944 381657964 /nfs/dbraw/zinc/65/79/64/381657964.db2.gz RXAPSNVANDMFOF-WMLDXEAASA-N 2 0 276.424 2.953 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414962928 381658397 /nfs/dbraw/zinc/65/83/97/381658397.db2.gz TUATXRZUXBSUEJ-CJNGLKHVSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414963515 381658611 /nfs/dbraw/zinc/65/86/11/381658611.db2.gz UAKVTVBUIUFFQU-WMLDXEAASA-N 2 0 260.425 2.973 20 0 CFADRP COC[C@]1(C[NH2+]C[C@@H](c2ccccc2)C(C)C)CCC[NH2+]1 ZINC000414964368 381659933 /nfs/dbraw/zinc/65/99/33/381659933.db2.gz XZIUTXSUGXIRJG-QZTJIDSGSA-N 2 0 290.451 2.784 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000414963601 381660370 /nfs/dbraw/zinc/66/03/70/381660370.db2.gz LATLCOWQLCJBDT-DLBZAZTESA-N 2 0 288.435 2.674 20 0 CFADRP Cc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1F ZINC000414965243 381661431 /nfs/dbraw/zinc/66/14/31/381661431.db2.gz FEHSWJJEGNSENA-AWEZNQCLSA-N 2 0 250.361 2.756 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414965100 381662513 /nfs/dbraw/zinc/66/25/13/381662513.db2.gz NAEAVSSJEYWIJU-ZFWWWQNUSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414969981 381665756 /nfs/dbraw/zinc/66/57/56/381665756.db2.gz ZRILSPDWCOTNSX-GWCFXTLKSA-N 2 0 288.313 2.673 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414968271 381665917 /nfs/dbraw/zinc/66/59/17/381665917.db2.gz YKDBCKDENHXUOD-KDOFPFPSSA-N 2 0 281.403 2.836 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414968816 381666162 /nfs/dbraw/zinc/66/61/62/381666162.db2.gz YMPAKCUCDBCKIH-RRMSCMEVSA-N 2 0 266.335 2.566 20 0 CFADRP c1ccc([C@@H]2C[C@H]([NH2+]CCC[C@H]3CCC[NH2+]3)CCN2)cc1 ZINC000414971053 381668343 /nfs/dbraw/zinc/66/83/43/381668343.db2.gz VSVZNVAWYSEIIQ-KURKYZTESA-N 2 0 287.451 2.602 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414975015 381669486 /nfs/dbraw/zinc/66/94/86/381669486.db2.gz OCKROBNZOUGDHR-INIZCTEOSA-N 2 0 292.423 2.572 20 0 CFADRP c1nc(-c2ccccc2)[nH]c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414975099 381669954 /nfs/dbraw/zinc/66/99/54/381669954.db2.gz OFYICERMZMEOQA-HNNXBMFYSA-N 2 0 284.407 2.699 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414975958 381671629 /nfs/dbraw/zinc/67/16/29/381671629.db2.gz PBBHMNCUARDYLZ-CQSZACIVSA-N 2 0 298.377 2.808 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c2ccccc12 ZINC000414959577 381653379 /nfs/dbraw/zinc/65/33/79/381653379.db2.gz PVOKHUGLUKFZCY-GUYCJALGSA-N 2 0 284.403 2.936 20 0 CFADRP COC1(C[NH2+]Cc2ccccc2-n2ccnc2)CCCC1 ZINC000359977630 381708758 /nfs/dbraw/zinc/70/87/58/381708758.db2.gz SUSFVCKBRVDFTE-UHFFFAOYSA-N 2 0 285.391 2.921 20 0 CFADRP Cc1ncc(C[NH2+][C@H](C)CCCC[NH3+])n1-c1ccccc1 ZINC000415015513 381710299 /nfs/dbraw/zinc/71/02/99/381710299.db2.gz OCDMOHDSEFFAQP-CQSZACIVSA-N 2 0 286.423 2.788 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000415017716 381711504 /nfs/dbraw/zinc/71/15/04/381711504.db2.gz FTQDGHBKBXZLNH-AWEZNQCLSA-N 2 0 269.392 2.966 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185716010 381713586 /nfs/dbraw/zinc/71/35/86/381713586.db2.gz GJEAYAZAFLJLGZ-CVEARBPZSA-N 2 0 290.455 2.516 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415019622 381713708 /nfs/dbraw/zinc/71/37/08/381713708.db2.gz SCGMOKYOSLPRAB-QJPTWQEYSA-N 2 0 252.427 2.665 20 0 CFADRP COc1cc2c(cc1C[NH2+][C@H](C)CCCC[NH3+])O[C@H](C)C2 ZINC000415019407 381713930 /nfs/dbraw/zinc/71/39/30/381713930.db2.gz VSKVXRCCXPBBTC-CHWSQXEVSA-N 2 0 292.423 2.626 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000415020844 381714970 /nfs/dbraw/zinc/71/49/70/381714970.db2.gz XUWKYZBEMQNREX-KGLIPLIRSA-N 2 0 292.423 2.844 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000415019936 381715041 /nfs/dbraw/zinc/71/50/41/381715041.db2.gz FOZCRELLDCDTIN-WKILWMFISA-N 2 0 298.434 2.727 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000371678650 381676294 /nfs/dbraw/zinc/67/62/94/381676294.db2.gz ATFGIKKUNYGXHU-UHFFFAOYSA-N 2 0 274.383 2.923 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000414986844 381681105 /nfs/dbraw/zinc/68/11/05/381681105.db2.gz CPRORYSJHORASO-OCCSQVGLSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414986718 381681204 /nfs/dbraw/zinc/68/12/04/381681204.db2.gz CNCSNNGGPQYXSL-VHAKERCTSA-N 2 0 290.838 2.913 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414989288 381683143 /nfs/dbraw/zinc/68/31/43/381683143.db2.gz MXHKBZREKQNMMN-MFKMUULPSA-N 2 0 285.229 2.707 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414989052 381683192 /nfs/dbraw/zinc/68/31/92/381683192.db2.gz GMUAJOYZNDDFSI-CABCVRRESA-N 2 0 262.397 2.692 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414991853 381684780 /nfs/dbraw/zinc/68/47/80/381684780.db2.gz JZOMAAQANKVRBG-DOTOQJQBSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000414990658 381685703 /nfs/dbraw/zinc/68/57/03/381685703.db2.gz IUUCJGLEXQITMQ-WCQYABFASA-N 2 0 252.789 2.947 20 0 CFADRP Cc1ccsc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355220344 381688034 /nfs/dbraw/zinc/68/80/34/381688034.db2.gz KVRCXCYVRDBHDV-QLFBSQMISA-N 2 0 294.464 2.740 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1C ZINC000414999898 381690853 /nfs/dbraw/zinc/69/08/53/381690853.db2.gz KTPGOTOXOOUBGS-DLBZAZTESA-N 2 0 258.409 2.781 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348744269 381691201 /nfs/dbraw/zinc/69/12/01/381691201.db2.gz BDVXPZHDRRTTPN-OAHLLOKOSA-N 2 0 264.388 2.819 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000414999802 381691309 /nfs/dbraw/zinc/69/13/09/381691309.db2.gz SMYQCACYDRENNJ-TZMCWYRMSA-N 2 0 287.382 2.981 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@H]21 ZINC000348752056 381694776 /nfs/dbraw/zinc/69/47/76/381694776.db2.gz SZJXCGAJXUUGOD-DJIMGWMZSA-N 2 0 276.399 2.818 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000415002597 381695253 /nfs/dbraw/zinc/69/52/53/381695253.db2.gz VZQSWIOTMVYMEQ-ZFWWWQNUSA-N 2 0 284.407 2.684 20 0 CFADRP c1c2ccccc2oc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003524 381696218 /nfs/dbraw/zinc/69/62/18/381696218.db2.gz GBJJAAKKELOPDC-JKSUJKDBSA-N 2 0 270.376 2.911 20 0 CFADRP Fc1cccc(CCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000348755691 381696743 /nfs/dbraw/zinc/69/67/43/381696743.db2.gz IMNGCCNJFXUZMX-UHFFFAOYSA-N 2 0 276.399 2.834 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005389 381698516 /nfs/dbraw/zinc/69/85/16/381698516.db2.gz JFXDFDXXJZLALM-JKSUJKDBSA-N 2 0 262.372 2.612 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)n1-c1ccccc1 ZINC000415005476 381698712 /nfs/dbraw/zinc/69/87/12/381698712.db2.gz ZEBVTQYNEBLYHX-HOTGVXAUSA-N 2 0 298.434 2.788 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008137 381701919 /nfs/dbraw/zinc/70/19/19/381701919.db2.gz MNJSTIJZLJUVCX-DLBZAZTESA-N 2 0 288.435 2.952 20 0 CFADRP CCCn1nc(C)c(C[NH2+][C@H](C)CCCC[NH3+])c1C ZINC000415009248 381702245 /nfs/dbraw/zinc/70/22/45/381702245.db2.gz FCYXRDQJORFHKZ-GFCCVEGCSA-N 2 0 266.433 2.517 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C\c1ccc(F)cc1 ZINC000415008234 381703268 /nfs/dbraw/zinc/70/32/68/381703268.db2.gz DADJQROXJDCIBS-RYWCDNDXSA-N 2 0 250.361 2.946 20 0 CFADRP CCOC(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680886 381703876 /nfs/dbraw/zinc/70/38/76/381703876.db2.gz DHQXSLYMUAUQRU-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(F)cc1F ZINC000415011432 381704329 /nfs/dbraw/zinc/70/43/29/381704329.db2.gz HUCDHEWXKFSBDZ-SECBINFHSA-N 2 0 260.303 2.711 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CC1CCOCC1 ZINC000415010461 381704556 /nfs/dbraw/zinc/70/45/56/381704556.db2.gz UXGYAMXIVGCKNH-BPUTZDHNSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000415010892 381704975 /nfs/dbraw/zinc/70/49/75/381704975.db2.gz HIGBMGUSGMBVEV-ZIAGYGMSSA-N 2 0 250.386 2.561 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371833992 381707868 /nfs/dbraw/zinc/70/78/68/381707868.db2.gz GFACWCBTJOGPHN-SQNIBIBYSA-N 2 0 293.499 2.525 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000415040263 381728035 /nfs/dbraw/zinc/72/80/35/381728035.db2.gz OVDLBOYCYKJBGZ-VHSXEESVSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000415041040 381729028 /nfs/dbraw/zinc/72/90/28/381729028.db2.gz PMJLAHFGRFGNNW-CMPLNLGQSA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000415040262 381729178 /nfs/dbraw/zinc/72/91/78/381729178.db2.gz OVDLBOYCYKJBGZ-UWVGGRQHSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000415041141 381729273 /nfs/dbraw/zinc/72/92/73/381729273.db2.gz POVFYZPBNPJKEI-WPRPVWTQSA-N 2 0 289.242 2.728 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415048377 381734141 /nfs/dbraw/zinc/73/41/41/381734141.db2.gz WYEITFPKGGZCEQ-UMVBOHGHSA-N 2 0 264.388 2.864 20 0 CFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1C ZINC000415058215 381744349 /nfs/dbraw/zinc/74/43/49/381744349.db2.gz VFWBUDGZVHBGKF-DLBZAZTESA-N 2 0 288.435 2.968 20 0 CFADRP CC[C@H]1C[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000348869797 381746692 /nfs/dbraw/zinc/74/66/92/381746692.db2.gz PBLPTJUQGZPNAW-REOARJMMSA-N 2 0 280.456 2.749 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000415064796 381752092 /nfs/dbraw/zinc/75/20/92/381752092.db2.gz DMYLYHWGYCCAHX-ZDUSSCGKSA-N 2 0 294.414 2.745 20 0 CFADRP Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(-c2ccnn2C)c1 ZINC000415069910 381757201 /nfs/dbraw/zinc/75/72/01/381757201.db2.gz PNNJJOWRILYGGW-UHFFFAOYSA-N 2 0 298.434 2.627 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000415025961 381718362 /nfs/dbraw/zinc/71/83/62/381718362.db2.gz SGDZHCYDYJNBLS-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000415026236 381718561 /nfs/dbraw/zinc/71/85/61/381718561.db2.gz SXWFZTCZJMTEHI-JTQLQIEISA-N 2 0 250.317 2.789 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415028012 381719548 /nfs/dbraw/zinc/71/95/48/381719548.db2.gz XSWICHQQVHARGS-ZDUSSCGKSA-N 2 0 286.423 2.706 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415031174 381723097 /nfs/dbraw/zinc/72/30/97/381723097.db2.gz GPETUCGMKZGHEG-GOEBONIOSA-N 2 0 276.424 2.938 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000415035011 381724992 /nfs/dbraw/zinc/72/49/92/381724992.db2.gz KGLUUYGYJWJJQF-BDAKNGLRSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000415034183 381725121 /nfs/dbraw/zinc/72/51/21/381725121.db2.gz JOYMSZDIYCTBPQ-ZWNOBZJWSA-N 2 0 272.314 2.922 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038520 381726440 /nfs/dbraw/zinc/72/64/40/381726440.db2.gz HWLPPFIHYQIOSU-SJORKVTESA-N 2 0 258.409 2.959 20 0 CFADRP COc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037160 381726578 /nfs/dbraw/zinc/72/65/78/381726578.db2.gz GMNQLAHATFCOOB-HOCLYGCPSA-N 2 0 274.408 2.659 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000415038368 381727012 /nfs/dbraw/zinc/72/70/12/381727012.db2.gz NHAMQMVNQZJQBM-GJZGRUSLSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000360548621 381783958 /nfs/dbraw/zinc/78/39/58/381783958.db2.gz CVFYOXGVSDKUOO-PMPSAXMXSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1nc2c(s1)CCC2 ZINC000415107593 381785024 /nfs/dbraw/zinc/78/50/24/381785024.db2.gz JFJUOCOIYXUSPY-WOPDTQHZSA-N 2 0 279.453 2.671 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)C(C)(C)CO)CC[NH2+]1 ZINC000415111979 381786327 /nfs/dbraw/zinc/78/63/27/381786327.db2.gz VCPPTVPNCAIHOY-HLLBOEOZSA-N 2 0 290.451 2.724 20 0 CFADRP CCc1oc2ccccc2c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415110336 381786789 /nfs/dbraw/zinc/78/67/89/381786789.db2.gz NCBUBDOOAFDSQI-ZDUSSCGKSA-N 2 0 288.391 2.545 20 0 CFADRP Cc1cc(CC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc(C)c1O ZINC000415111160 381787028 /nfs/dbraw/zinc/78/70/28/381787028.db2.gz UBHQVUVRIBGBGL-ZBFHGGJFSA-N 2 0 276.424 2.529 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415109351 381787302 /nfs/dbraw/zinc/78/73/02/381787302.db2.gz LQXBPOXPBWTAHJ-INMHGKMJSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1F ZINC000415117519 381790542 /nfs/dbraw/zinc/79/05/42/381790542.db2.gz VMRCLJWDFWVGGO-YPMHNXCESA-N 2 0 268.351 2.800 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000415121037 381792022 /nfs/dbraw/zinc/79/20/22/381792022.db2.gz YTIRSRYWQXRSMN-KCQAQPDRSA-N 2 0 292.423 2.743 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415124246 381794556 /nfs/dbraw/zinc/79/45/56/381794556.db2.gz KAPGTHUMWUABMS-BFYDXBDKSA-N 2 0 260.425 2.782 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000415075385 381761167 /nfs/dbraw/zinc/76/11/67/381761167.db2.gz DZOKXXBBEFMDEU-WLYUNCDWSA-N 2 0 262.397 2.622 20 0 CFADRP COc1cc(CC[NH2+]C2CCC(C[NH3+])CC2)ccc1C ZINC000415078212 381763900 /nfs/dbraw/zinc/76/39/00/381763900.db2.gz GAGPJZCHQCJDFN-UHFFFAOYSA-N 2 0 276.424 2.653 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415081460 381767994 /nfs/dbraw/zinc/76/79/94/381767994.db2.gz CASXIYOASPOPFW-IOASZLSFSA-N 2 0 274.408 2.803 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000415083940 381769705 /nfs/dbraw/zinc/76/97/05/381769705.db2.gz OHMYJRSCYPRNQC-LBPRGKRZSA-N 2 0 281.831 2.636 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000415085030 381771276 /nfs/dbraw/zinc/77/12/76/381771276.db2.gz QAKMDGXJTKEZME-UGUYLWEFSA-N 2 0 282.472 2.948 20 0 CFADRP Clc1cccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000415086384 381771708 /nfs/dbraw/zinc/77/17/08/381771708.db2.gz JOOSCIQZPOMAAR-CQSZACIVSA-N 2 0 252.789 2.614 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415085933 381772128 /nfs/dbraw/zinc/77/21/28/381772128.db2.gz RIBRDILULDTSED-OWCLPIDISA-N 2 0 282.472 2.686 20 0 CFADRP CSc1cc(C)ccc1C[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000415088165 381773530 /nfs/dbraw/zinc/77/35/30/381773530.db2.gz UVMPTXSKIBVVLA-OAHLLOKOSA-N 2 0 264.438 2.806 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000415086925 381773916 /nfs/dbraw/zinc/77/39/16/381773916.db2.gz VJRGGTGUHNNQON-GVDBMIGSSA-N 2 0 258.409 2.739 20 0 CFADRP COCc1cc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1F ZINC000415090100 381774738 /nfs/dbraw/zinc/77/47/38/381774738.db2.gz ZUUXIXHSACVLSN-WFASDCNBSA-N 2 0 280.387 2.592 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CC(C)(C)O)CC1 ZINC000372217403 381775278 /nfs/dbraw/zinc/77/52/78/381775278.db2.gz PFJVCXYWXHHKBE-KRWDZBQOSA-N 2 0 290.451 2.744 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)Cc1cccs1 ZINC000415088666 381775302 /nfs/dbraw/zinc/77/53/02/381775302.db2.gz WPFXRQJJNCZXRI-STQMWFEESA-N 2 0 252.427 2.658 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415091688 381776984 /nfs/dbraw/zinc/77/69/84/381776984.db2.gz ZPUYGBXVKYMGFJ-KBPBESRZSA-N 2 0 264.388 2.654 20 0 CFADRP Cc1oncc1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000372596277 381841346 /nfs/dbraw/zinc/84/13/46/381841346.db2.gz SIZVOSNPZBZKEG-HNNXBMFYSA-N 2 0 289.423 2.679 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000343614743 381841391 /nfs/dbraw/zinc/84/13/91/381841391.db2.gz SCECHCFSZADYQE-CVEARBPZSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343613066 381841793 /nfs/dbraw/zinc/84/17/93/381841793.db2.gz WPYIQWRECCLTBK-DOMZBBRYSA-N 2 0 287.382 2.999 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000415136850 381801284 /nfs/dbraw/zinc/80/12/84/381801284.db2.gz HZVIAEDCZNOPEC-BMFZPTHFSA-N 2 0 291.414 2.525 20 0 CFADRP C[C@@H](CCC1CC1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186301175 381877878 /nfs/dbraw/zinc/87/78/78/381877878.db2.gz KJPONXDAGBDFGT-HNNXBMFYSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H](C[NH2+]CCOCC[NH+](C)C)CC1CCCCC1 ZINC000349212456 381849533 /nfs/dbraw/zinc/84/95/33/381849533.db2.gz ARSDDGXKYDKOIG-HNNXBMFYSA-N 2 0 270.461 2.761 20 0 CFADRP C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccon1 ZINC000349248054 381864213 /nfs/dbraw/zinc/86/42/13/381864213.db2.gz VJZITYXGBZZFTI-LBPRGKRZSA-N 2 0 268.320 2.711 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CC1(OC)CCCCC1 ZINC000349341689 381897800 /nfs/dbraw/zinc/89/78/00/381897800.db2.gz CECCQGMSOAMSAN-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)CC1(OC)CCCC1 ZINC000349407602 381926709 /nfs/dbraw/zinc/92/67/09/381926709.db2.gz OQMRHSVTSDAWSR-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCO[C@H](CC)C1 ZINC000349411860 381928551 /nfs/dbraw/zinc/92/85/51/381928551.db2.gz BJJRLPMJLGCIFH-HZPDHXFCSA-N 2 0 270.461 2.855 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1csc(-c2ccco2)n1 ZINC000356891163 381888710 /nfs/dbraw/zinc/88/87/10/381888710.db2.gz HYZNKUKUNMPTAQ-DGCLKSJQSA-N 2 0 291.420 2.833 20 0 CFADRP C(C[NH+]1CCCC1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000349543720 381956866 /nfs/dbraw/zinc/95/68/66/381956866.db2.gz RZHTXWPEZACUCU-UHFFFAOYSA-N 2 0 293.499 2.670 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186590546 381958902 /nfs/dbraw/zinc/95/89/02/381958902.db2.gz MCLRVFAHKGDURH-DLBZAZTESA-N 2 0 289.467 2.672 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186597160 381960328 /nfs/dbraw/zinc/96/03/28/381960328.db2.gz BCURAXKJZPIGSG-ULQDDVLXSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000362180775 381947284 /nfs/dbraw/zinc/94/72/84/381947284.db2.gz JISIRMGZKNBHDF-UONOGXRCSA-N 2 0 284.444 2.523 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000362306068 382000953 /nfs/dbraw/zinc/00/09/53/382000953.db2.gz XMNGPFSUXZKFEL-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP Fc1ccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357093111 382004058 /nfs/dbraw/zinc/00/40/58/382004058.db2.gz WAFNPERGLJHQIK-HNNXBMFYSA-N 2 0 292.398 2.526 20 0 CFADRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1C ZINC000357094704 382006541 /nfs/dbraw/zinc/00/65/41/382006541.db2.gz ZXXUPKJCRADKKN-KRWDZBQOSA-N 2 0 288.435 2.825 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000357118781 382016870 /nfs/dbraw/zinc/01/68/70/382016870.db2.gz IYUGGAMPXKTKGV-HNNXBMFYSA-N 2 0 297.487 2.535 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC000299549602 381979100 /nfs/dbraw/zinc/97/91/00/381979100.db2.gz KQXXGBBYFOGGDL-UHFFFAOYSA-N 2 0 276.424 2.870 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357041740 381984276 /nfs/dbraw/zinc/98/42/76/381984276.db2.gz DASNLQLCIBLJFU-OAHLLOKOSA-N 2 0 276.399 2.956 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357042504 381984914 /nfs/dbraw/zinc/98/49/14/381984914.db2.gz DYPPFUNKSOBGKP-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000362287068 381990302 /nfs/dbraw/zinc/99/03/02/381990302.db2.gz SUPYFESOXJALIB-IAGOWNOFSA-N 2 0 289.423 2.598 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357058612 381992355 /nfs/dbraw/zinc/99/23/55/381992355.db2.gz VVZPBPSGRUQDBU-MRXNPFEDSA-N 2 0 290.455 2.594 20 0 CFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000417333891 382042874 /nfs/dbraw/zinc/04/28/74/382042874.db2.gz ZMTPWUCBWKLJMA-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC12CCOCC2)C[NH+]1CCCCC1 ZINC000374331502 382043834 /nfs/dbraw/zinc/04/38/34/382043834.db2.gz YTPGYUMNNYWBFE-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP CCC[C@@H](CC)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343989856 382052623 /nfs/dbraw/zinc/05/26/23/382052623.db2.gz POIHHUDMSUCATO-OAHLLOKOSA-N 2 0 279.428 2.690 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000299997431 382054502 /nfs/dbraw/zinc/05/45/02/382054502.db2.gz NRGRCWQBLWDVMN-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000299990252 382054968 /nfs/dbraw/zinc/05/49/68/382054968.db2.gz KVRHUXUHNGXMOD-OWCLPIDISA-N 2 0 280.456 2.941 20 0 CFADRP c1cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2[nH]1 ZINC000299942247 382055634 /nfs/dbraw/zinc/05/56/34/382055634.db2.gz NARLILRKDANHGX-HOTGVXAUSA-N 2 0 269.392 2.884 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000300004116 382057115 /nfs/dbraw/zinc/05/71/15/382057115.db2.gz TWTTUNLUAXWERK-CABCVRRESA-N 2 0 268.445 2.783 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000300105271 382057267 /nfs/dbraw/zinc/05/72/67/382057267.db2.gz ZLRFFGIDIDEDIF-ZNMIVQPWSA-N 2 0 256.434 2.546 20 0 CFADRP Cc1sccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000293184880 382022886 /nfs/dbraw/zinc/02/28/86/382022886.db2.gz HNFLAKVMFRJAIL-ZDUSSCGKSA-N 2 0 282.453 2.647 20 0 CFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000293187477 382023358 /nfs/dbraw/zinc/02/33/58/382023358.db2.gz HSIAHVHZISXADE-JKSUJKDBSA-N 2 0 294.464 2.524 20 0 CFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000293187474 382023556 /nfs/dbraw/zinc/02/35/56/382023556.db2.gz HSIAHVHZISXADE-HZPDHXFCSA-N 2 0 294.464 2.524 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000343927883 382024872 /nfs/dbraw/zinc/02/48/72/382024872.db2.gz JZUYXWKHSUOKGI-HNNXBMFYSA-N 2 0 269.477 2.569 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000373764760 382026723 /nfs/dbraw/zinc/02/67/23/382026723.db2.gz GFWVUSQEYQBSPF-UHFFFAOYSA-N 2 0 280.456 2.941 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](CCC)CC1 ZINC000343944121 382031934 /nfs/dbraw/zinc/03/19/34/382031934.db2.gz VQGGAVDZLUBGET-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1nc(CC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000374075812 382033460 /nfs/dbraw/zinc/03/34/60/382033460.db2.gz XEXWEPPNQAXYRO-UHFFFAOYSA-N 2 0 293.480 2.802 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000374189126 382038981 /nfs/dbraw/zinc/03/89/81/382038981.db2.gz QHACJIPSFWQURZ-HOTGVXAUSA-N 2 0 275.440 2.958 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000417318417 382038987 /nfs/dbraw/zinc/03/89/87/382038987.db2.gz YWRRFWVWNPYXRO-ZACQAIPSSA-N 2 0 295.515 2.674 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000417320938 382040105 /nfs/dbraw/zinc/04/01/05/382040105.db2.gz KSPAGEAXJMBTEC-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000352012646 382128548 /nfs/dbraw/zinc/12/85/48/382128548.db2.gz COFHFIBNDBRWLV-QZWWFDLISA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000352012645 382128865 /nfs/dbraw/zinc/12/88/65/382128865.db2.gz COFHFIBNDBRWLV-NCOADZHNSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000376149367 382122085 /nfs/dbraw/zinc/12/20/85/382122085.db2.gz OBBFOOKMEFAPTO-FHLIZLRMSA-N 2 0 288.435 2.620 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344033849 382083258 /nfs/dbraw/zinc/08/32/58/382083258.db2.gz QWKWQHGNYJMPDZ-OAHLLOKOSA-N 2 0 295.446 2.702 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293349181 382088270 /nfs/dbraw/zinc/08/82/70/382088270.db2.gz GWKAJUMACFROGV-ZIAGYGMSSA-N 2 0 264.413 2.934 20 0 CFADRP CC[NH+](CC)Cc1cncc(NCC(C)(C)C[NH+](C)C)c1 ZINC001168768462 781971995 /nfs/dbraw/zinc/97/19/95/781971995.db2.gz FJGOSQOEVAOHEY-UHFFFAOYSA-N 2 0 292.471 2.923 20 0 CFADRP CCc1ccccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344047151 382091895 /nfs/dbraw/zinc/09/18/95/382091895.db2.gz YNVSIZVHJSHLSJ-UHFFFAOYSA-N 2 0 291.483 2.564 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417877655 382093304 /nfs/dbraw/zinc/09/33/04/382093304.db2.gz RQHMQRBOXAEPLX-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000376842397 382181940 /nfs/dbraw/zinc/18/19/40/382181940.db2.gz MLPBCHAOMHCFTQ-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293576509 382183226 /nfs/dbraw/zinc/18/32/26/382183226.db2.gz DROHJXDDHHNIKH-XJKSGUPXSA-N 2 0 292.423 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@H](C)C1 ZINC000344115122 382136970 /nfs/dbraw/zinc/13/69/70/382136970.db2.gz QODWNYXZHMYTAI-XBVQOTNRSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000352040549 382144341 /nfs/dbraw/zinc/14/43/41/382144341.db2.gz PJMDYSDLQMVPET-RDJZCZTQSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000352067852 382157845 /nfs/dbraw/zinc/15/78/45/382157845.db2.gz FQBSZUOSSCLMGL-YVSFHVDLSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)OC ZINC000362975764 382223764 /nfs/dbraw/zinc/22/37/64/382223764.db2.gz GVZQZQSSKXOKDF-SRMUXQRQSA-N 2 0 262.397 2.782 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000352141092 382191314 /nfs/dbraw/zinc/19/13/14/382191314.db2.gz PSGJUHYUCUWSLZ-OAHLLOKOSA-N 2 0 297.487 2.534 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293788014 382279917 /nfs/dbraw/zinc/27/99/17/382279917.db2.gz UFFDPYZTBUPMTK-QWHCGFSZSA-N 2 0 250.386 2.544 20 0 CFADRP Cc1sccc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000293796895 382283054 /nfs/dbraw/zinc/28/30/54/382283054.db2.gz CYLLLSGZAKIOAC-LSDHHAIUSA-N 2 0 264.438 2.973 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000419213021 382244944 /nfs/dbraw/zinc/24/49/44/382244944.db2.gz HZCGBDNSFBMWCJ-IRXDYDNUSA-N 2 0 282.472 2.711 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1C(C)(C)C1(C)C ZINC000344281046 382248754 /nfs/dbraw/zinc/24/87/54/382248754.db2.gz AEVNZDUFPXCHMV-GFCCVEGCSA-N 2 0 250.430 2.909 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC)OC ZINC000419234645 382253075 /nfs/dbraw/zinc/25/30/75/382253075.db2.gz CAZIWJUDRJXNIV-OAGGEKHMSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OC ZINC000419236568 382255230 /nfs/dbraw/zinc/25/52/30/382255230.db2.gz FEFCIHFORCLXSC-SQWLQELKSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000420290852 382344259 /nfs/dbraw/zinc/34/42/59/382344259.db2.gz JPKFKSWHVRGISY-UHFFFAOYSA-N 2 0 264.438 2.840 20 0 CFADRP C[NH2+]CC1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000420291416 382344383 /nfs/dbraw/zinc/34/43/83/382344383.db2.gz KMXHJSUJKMDSGY-UHFFFAOYSA-N 2 0 288.222 2.820 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@]12CCOC2 ZINC000377673004 382315977 /nfs/dbraw/zinc/31/59/77/382315977.db2.gz IDCGQMKPAKRAFG-MRXNPFEDSA-N 2 0 260.381 2.578 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187983167 382316727 /nfs/dbraw/zinc/31/67/27/382316727.db2.gz DZGPEUFPYOXWFH-PBHICJAKSA-N 2 0 293.430 2.502 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357786956 382320874 /nfs/dbraw/zinc/32/08/74/382320874.db2.gz WYZNVFDSTKHUSQ-KBPBESRZSA-N 2 0 259.397 2.525 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnccc2C)C1 ZINC000357787582 382322139 /nfs/dbraw/zinc/32/21/39/382322139.db2.gz ZCHHUAODLODVJG-LSDHHAIUSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@@H](F)CC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000352420616 382322320 /nfs/dbraw/zinc/32/23/20/382322320.db2.gz FBNCTAZXZNDZEH-GDBMZVCRSA-N 2 0 279.403 2.583 20 0 CFADRP C[C@H](F)CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000352420618 382322425 /nfs/dbraw/zinc/32/24/25/382322425.db2.gz FBNCTAZXZNDZEH-HOCLYGCPSA-N 2 0 279.403 2.583 20 0 CFADRP OCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188037617 382330346 /nfs/dbraw/zinc/33/03/46/382330346.db2.gz IDMMUIIWJFVRCR-YJBOKZPZSA-N 2 0 294.483 2.924 20 0 CFADRP Cc1sccc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000293912849 382333581 /nfs/dbraw/zinc/33/35/81/382333581.db2.gz LVZKQSBBGBLMDQ-SMDDNHRTSA-N 2 0 252.427 2.829 20 0 CFADRP CC[NH+](CC)CCN1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364624703 382342011 /nfs/dbraw/zinc/34/20/11/382342011.db2.gz QOIMXUHJXFOPGE-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP COC1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000357832011 382342118 /nfs/dbraw/zinc/34/21/18/382342118.db2.gz HEPBIYZAKWFEBK-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CN(Cc1ncc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000420291336 382343399 /nfs/dbraw/zinc/34/33/99/382343399.db2.gz NHZBQSLKRFCPHE-UHFFFAOYSA-N 2 0 276.211 2.805 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000377589981 382297760 /nfs/dbraw/zinc/29/77/60/382297760.db2.gz VUHNBFVWCLYIFC-DZOHQFGASA-N 2 0 288.435 2.979 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)Cc1ccccc1F ZINC000188124741 382349409 /nfs/dbraw/zinc/34/94/09/382349409.db2.gz YFZFIKIPAFMOKE-ZBFHGGJFSA-N 2 0 296.430 2.703 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000420299423 382349455 /nfs/dbraw/zinc/34/94/55/382349455.db2.gz GLXYZWZTQNXYFJ-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000420298428 382350081 /nfs/dbraw/zinc/35/00/81/382350081.db2.gz FGJJTDWHQJYUOX-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357849833 382350314 /nfs/dbraw/zinc/35/03/14/382350314.db2.gz MLJXHILHHUDIIA-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420297895 382350417 /nfs/dbraw/zinc/35/04/17/382350417.db2.gz GNCBFYYYOVUHDI-HZMVEIRTSA-N 2 0 294.483 2.902 20 0 CFADRP CCOc1ccccc1C[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420301693 382351874 /nfs/dbraw/zinc/35/18/74/382351874.db2.gz ITNDNQKIBVCNSY-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000420301966 382352450 /nfs/dbraw/zinc/35/24/50/382352450.db2.gz FOEZSBYZFQKELO-UHFFFAOYSA-N 2 0 261.413 2.520 20 0 CFADRP [NH3+]CCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000420310371 382357992 /nfs/dbraw/zinc/35/79/92/382357992.db2.gz UVOQCOCOXCFGTD-UHFFFAOYSA-N 2 0 298.430 2.809 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000420392812 382396778 /nfs/dbraw/zinc/39/67/78/382396778.db2.gz WFPCXAOLBWSSGC-UHFFFAOYSA-N 2 0 299.418 2.710 20 0 CFADRP Cc1ncsc1CC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352487199 382360739 /nfs/dbraw/zinc/36/07/39/382360739.db2.gz BCCCCQHVNYAVCA-UHFFFAOYSA-N 2 0 281.469 2.835 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000420311859 382360699 /nfs/dbraw/zinc/36/06/99/382360699.db2.gz WEHKCWYYXOKQOT-IJEWVQPXSA-N 2 0 276.424 2.858 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420393172 382396840 /nfs/dbraw/zinc/39/68/40/382396840.db2.gz JPIXVTKQRYLKKT-WMZOPIPTSA-N 2 0 288.435 2.838 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000420310863 382360990 /nfs/dbraw/zinc/36/09/90/382360990.db2.gz VGYDMGGKCPSSKH-MAUKXSAKSA-N 2 0 272.436 2.865 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420313860 382362662 /nfs/dbraw/zinc/36/26/62/382362662.db2.gz JLIKKUSXAZRGFB-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000420316687 382364373 /nfs/dbraw/zinc/36/43/73/382364373.db2.gz MDMXILLTIXMVBV-WMZOPIPTSA-N 2 0 287.451 2.587 20 0 CFADRP c1sc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1C1CC1 ZINC000420319814 382366833 /nfs/dbraw/zinc/36/68/33/382366833.db2.gz ANVVCNRBXMVMLJ-ZIAGYGMSSA-N 2 0 291.464 2.842 20 0 CFADRP CCCC[N@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420325050 382368656 /nfs/dbraw/zinc/36/86/56/382368656.db2.gz WARJAAMHOOAKKK-OAHLLOKOSA-N 2 0 264.413 2.860 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCc1cccc(F)c1 ZINC000352503529 382369595 /nfs/dbraw/zinc/36/95/95/382369595.db2.gz HHLWLKMFTBDQQM-INIZCTEOSA-N 2 0 264.388 2.962 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C2CCCC2)cc1 ZINC000420327770 382370669 /nfs/dbraw/zinc/37/06/69/382370669.db2.gz YRRRPSIJFWQCMN-CQSZACIVSA-N 2 0 262.397 2.612 20 0 CFADRP CCN(CC)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000420325420 382371802 /nfs/dbraw/zinc/37/18/02/382371802.db2.gz WGJCPUCIBNBNKI-KRWDZBQOSA-N 2 0 283.504 2.676 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000346467882 382375061 /nfs/dbraw/zinc/37/50/61/382375061.db2.gz UZZHVWBKVWUROW-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339045 382375136 /nfs/dbraw/zinc/37/51/36/382375136.db2.gz LPIRWUXYGIFUEL-GJZGRUSLSA-N 2 0 292.398 2.526 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344535 382376772 /nfs/dbraw/zinc/37/67/72/382376772.db2.gz UAYUMRAVWHPFGL-SJORKVTESA-N 2 0 258.409 2.551 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000420352774 382379269 /nfs/dbraw/zinc/37/92/69/382379269.db2.gz ATCHDTSMRLALAN-AWEZNQCLSA-N 2 0 282.815 2.697 20 0 CFADRP CCOC(=O)C1([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000420362433 382383440 /nfs/dbraw/zinc/38/34/40/382383440.db2.gz OHTIDYXYHKRLST-HNNXBMFYSA-N 2 0 296.455 2.574 20 0 CFADRP Fc1ccc(/C=C\CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352540269 382385984 /nfs/dbraw/zinc/38/59/84/382385984.db2.gz IYGIWXWTYSGOMW-YKUAXSNGSA-N 2 0 274.383 2.914 20 0 CFADRP COC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420398599 382398241 /nfs/dbraw/zinc/39/82/41/382398241.db2.gz HAGWVZLHCRPKDQ-WBMJQRKESA-N 2 0 298.377 2.632 20 0 CFADRP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352540721 382388679 /nfs/dbraw/zinc/38/86/79/382388679.db2.gz ONQSUMGJFGOTCX-MAUKXSAKSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1nc2sccn2c1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420367873 382389637 /nfs/dbraw/zinc/38/96/37/382389637.db2.gz WJRHUVMRIMTANP-UHFFFAOYSA-N 2 0 292.452 2.526 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000352545209 382390596 /nfs/dbraw/zinc/39/05/96/382390596.db2.gz HELIQJVYFBKPLI-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP Fc1cc(F)c2c(c1)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420374166 382391142 /nfs/dbraw/zinc/39/11/42/382391142.db2.gz NNGMTPHGSFXITB-UHFFFAOYSA-N 2 0 280.362 2.713 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420398596 382398522 /nfs/dbraw/zinc/39/85/22/382398522.db2.gz HAGWVZLHCRPKDQ-LRDDRELGSA-N 2 0 298.377 2.632 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC000420376741 382392542 /nfs/dbraw/zinc/39/25/42/382392542.db2.gz RCTTWBBTIBHTON-UHFFFAOYSA-N 2 0 275.440 2.574 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000420374684 382393062 /nfs/dbraw/zinc/39/30/62/382393062.db2.gz OJLBTFWEQWBQHQ-AAEUAGOBSA-N 2 0 284.350 2.938 20 0 CFADRP CCc1ccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420379863 382394923 /nfs/dbraw/zinc/39/49/23/382394923.db2.gz VYHKVQGXBLGBFC-FUHWJXTLSA-N 2 0 288.435 2.622 20 0 CFADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000365635056 382426861 /nfs/dbraw/zinc/42/68/61/382426861.db2.gz ZGWNWUCXDJJWPX-GFCCVEGCSA-N 2 0 261.394 2.861 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000346598349 382430443 /nfs/dbraw/zinc/43/04/43/382430443.db2.gz JBQFPGBESHLUTP-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000294138464 382430526 /nfs/dbraw/zinc/43/05/26/382430526.db2.gz HIEFOUXHJBSRKK-GOEBONIOSA-N 2 0 276.424 2.645 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)CCC(C)C)CC1 ZINC000305180643 382432260 /nfs/dbraw/zinc/43/22/60/382432260.db2.gz WDOFGYHQUPYWFA-INIZCTEOSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358055548 382432272 /nfs/dbraw/zinc/43/22/72/382432272.db2.gz BVLJMLGWPQCVAI-HBUWYVDXSA-N 2 0 272.436 2.720 20 0 CFADRP C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)O1 ZINC000188551349 382433735 /nfs/dbraw/zinc/43/37/35/382433735.db2.gz GELSBTOPBISYJK-BZSNNMDCSA-N 2 0 294.483 2.998 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420405867 382399430 /nfs/dbraw/zinc/39/94/30/382399430.db2.gz UEHXUGSPFQJJDY-JKSUJKDBSA-N 2 0 296.455 2.574 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420401747 382399712 /nfs/dbraw/zinc/39/97/12/382399712.db2.gz JHWKRLWTOQHZEF-GOEBONIOSA-N 2 0 276.424 2.545 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000420406744 382402002 /nfs/dbraw/zinc/40/20/02/382402002.db2.gz NXUNBSPRRONXES-RYRKJORJSA-N 2 0 288.435 2.744 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000357997097 382402108 /nfs/dbraw/zinc/40/21/08/382402108.db2.gz USWKDULOEKBUDD-BBRMVZONSA-N 2 0 280.387 2.524 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000420422804 382403264 /nfs/dbraw/zinc/40/32/64/382403264.db2.gz ZTCVCBRPTBDUPU-KGLIPLIRSA-N 2 0 265.401 2.722 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420413162 382403307 /nfs/dbraw/zinc/40/33/07/382403307.db2.gz SSPNPIQXISXUNP-QWHCGFSZSA-N 2 0 294.443 2.958 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000358017585 382410372 /nfs/dbraw/zinc/41/03/72/382410372.db2.gz HXRXBCSUXFJEMJ-WFASDCNBSA-N 2 0 262.372 2.756 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346563794 382415429 /nfs/dbraw/zinc/41/54/29/382415429.db2.gz RGWPYLKMERNZHI-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000346633482 382447356 /nfs/dbraw/zinc/44/73/56/382447356.db2.gz DWSFMFOZVGFHLR-WMLDXEAASA-N 2 0 281.403 2.918 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000305899451 382450516 /nfs/dbraw/zinc/45/05/16/382450516.db2.gz SKYJBRBDUAWFRM-YNEHKIRRSA-N 2 0 258.356 2.638 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000346646302 382452653 /nfs/dbraw/zinc/45/26/53/382452653.db2.gz AJUGSGPRDBDXJQ-ZIAGYGMSSA-N 2 0 284.407 2.554 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OC(C)C ZINC000346646513 382453415 /nfs/dbraw/zinc/45/34/15/382453415.db2.gz OHKACRVDPQVKFN-DZGCQCFKSA-N 2 0 292.423 2.652 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nccn3C)c2)CC[N@@H+]1C ZINC000378393488 382453725 /nfs/dbraw/zinc/45/37/25/382453725.db2.gz VYIOEYWXTYUOPU-YOEHRIQHSA-N 3 0 298.434 2.659 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)C2CCCCC2)CC1 ZINC000188673870 382455916 /nfs/dbraw/zinc/45/59/16/382455916.db2.gz JNZKPDPXHOCHAK-QGZVFWFLSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000352722201 382459246 /nfs/dbraw/zinc/45/92/46/382459246.db2.gz OANVWCMPFIEUEK-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358127335 382461431 /nfs/dbraw/zinc/46/14/31/382461431.db2.gz JOGPQTBAVXUBKW-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000358136132 382465302 /nfs/dbraw/zinc/46/53/02/382465302.db2.gz DSNVASROZLFHHQ-GLJUWKHASA-N 2 0 288.435 2.699 20 0 CFADRP CC1=CCN(CC[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000358136598 382465386 /nfs/dbraw/zinc/46/53/86/382465386.db2.gz LJQZRMDNGBMCOL-UHFFFAOYSA-N 2 0 296.418 2.614 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(CC)nc2)CC1 ZINC000352748807 382465565 /nfs/dbraw/zinc/46/55/65/382465565.db2.gz KCYAWTGKVYMGQS-UHFFFAOYSA-N 2 0 275.440 2.856 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000346682838 382468908 /nfs/dbraw/zinc/46/89/08/382468908.db2.gz PZUMHDCVEYYMSK-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000346742021 382495081 /nfs/dbraw/zinc/49/50/81/382495081.db2.gz KYLMQYLVKRJSOT-KLHKWILBSA-N 2 0 270.420 2.933 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000346691445 382474040 /nfs/dbraw/zinc/47/40/40/382474040.db2.gz VTHUJFNOJYSFQN-GOEBONIOSA-N 2 0 281.403 2.918 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000308731316 382487201 /nfs/dbraw/zinc/48/72/01/382487201.db2.gz JOYNCZHMKDGBKS-MELADBBJSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C1CCC(C[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000314371173 382524832 /nfs/dbraw/zinc/52/48/32/382524832.db2.gz KPYMTZKCXNIEOP-UHFFFAOYSA-N 2 0 295.515 2.676 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC3CC3)C[C@H]12 ZINC000346814592 382526056 /nfs/dbraw/zinc/52/60/56/382526056.db2.gz BUUXOZLJVGOHSI-BHYGNILZSA-N 2 0 286.419 2.645 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381951822 382526193 /nfs/dbraw/zinc/52/61/93/382526193.db2.gz SHRRAYMPMPPCQI-NXSPZCGBSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000381930176 382526527 /nfs/dbraw/zinc/52/65/27/382526527.db2.gz WQUKTDAUOAXXEA-DJIMGWMZSA-N 2 0 258.409 2.864 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]21 ZINC000346816942 382527656 /nfs/dbraw/zinc/52/76/56/382527656.db2.gz BHGVZAVWIOEFPU-RHZUSWIQSA-N 2 0 274.383 2.898 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@H](C)C1 ZINC000358191861 382497989 /nfs/dbraw/zinc/49/79/89/382497989.db2.gz PGCGGUBCNIWQPT-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000358195173 382499773 /nfs/dbraw/zinc/49/97/73/382499773.db2.gz UUBNMLSKSGBVIA-OWSLCNJRSA-N 2 0 270.420 2.834 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000311106028 382499995 /nfs/dbraw/zinc/49/99/95/382499995.db2.gz QVVCLFGEFVQEPL-UWVGGRQHSA-N 2 0 260.303 2.951 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000311200805 382501831 /nfs/dbraw/zinc/50/18/31/382501831.db2.gz KHDGUHLRBBRNKR-IUODEOHRSA-N 2 0 264.438 2.825 20 0 CFADRP FC1(F)CC[C@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)C1 ZINC000311139889 382502091 /nfs/dbraw/zinc/50/20/91/382502091.db2.gz DJPHDAZVLUIHDZ-ZDUSSCGKSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379633357 382506973 /nfs/dbraw/zinc/50/69/73/382506973.db2.gz OQCDOXZDSRSMGD-CVEARBPZSA-N 3 0 277.456 2.614 20 0 CFADRP CC[NH+]1CCC(N(Cc2cncc(F)c2)C2CC2)CC1 ZINC000366426285 382509245 /nfs/dbraw/zinc/50/92/45/382509245.db2.gz DOBLZTKXDITXTA-UHFFFAOYSA-N 2 0 277.387 2.669 20 0 CFADRP COc1cc(F)cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000312267908 382512955 /nfs/dbraw/zinc/51/29/55/382512955.db2.gz GWJPWUWBEZBQJL-MQVJKMGUSA-N 2 0 292.398 2.939 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000346795869 382514192 /nfs/dbraw/zinc/51/41/92/382514192.db2.gz MQAFJGJLBJZKTD-BLLLJJGKSA-N 2 0 274.383 2.887 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353179000 382515231 /nfs/dbraw/zinc/51/52/31/382515231.db2.gz YGGLDUCSDLJCKA-DOMZBBRYSA-N 2 0 272.396 2.698 20 0 CFADRP CCOc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380746311 382516414 /nfs/dbraw/zinc/51/64/14/382516414.db2.gz MUUJDPHTGLMKMI-GASCZTMLSA-N 2 0 274.408 2.517 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)CC[N@@H+]1C ZINC000346799821 382516554 /nfs/dbraw/zinc/51/65/54/382516554.db2.gz OOKOAXBQQYLWJF-JQWIXIFHSA-N 2 0 286.341 2.719 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358236489 382518601 /nfs/dbraw/zinc/51/86/01/382518601.db2.gz AWNCJSSROCITDU-DGXTUMSLSA-N 2 0 282.472 2.898 20 0 CFADRP COc1c(C)cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1C ZINC000346844668 382540859 /nfs/dbraw/zinc/54/08/59/382540859.db2.gz JKONTIOFYNYMNU-HNNXBMFYSA-N 2 0 276.424 2.743 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346846549 382543019 /nfs/dbraw/zinc/54/30/19/382543019.db2.gz LLWVKEIIAXDMBE-ZBFHGGJFSA-N 2 0 274.408 2.832 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000383318680 382543170 /nfs/dbraw/zinc/54/31/70/382543170.db2.gz BWXCSGZHGNHXMK-BXUZGUMPSA-N 2 0 252.427 2.727 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CC(F)(F)C1 ZINC000383485474 382544929 /nfs/dbraw/zinc/54/49/29/382544929.db2.gz FGSPITLEPGUKFK-AAEUAGOBSA-N 2 0 260.372 2.932 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000328198792 382545427 /nfs/dbraw/zinc/54/54/27/382545427.db2.gz SJQZNZKGQRBDHQ-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358300060 382556133 /nfs/dbraw/zinc/55/61/33/382556133.db2.gz NPPYWEYJPHSHCV-KVDVXYDOSA-N 2 0 294.483 2.779 20 0 CFADRP COc1ccc(C[N@H+](C)C2CC([NH3+])C2)c2ccccc12 ZINC000384870230 382561447 /nfs/dbraw/zinc/56/14/47/382561447.db2.gz GCHOPAKAADFNAE-UHFFFAOYSA-N 2 0 270.376 2.770 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358320528 382567462 /nfs/dbraw/zinc/56/74/62/382567462.db2.gz QELPIEPMMFFRRI-IRXDYDNUSA-N 2 0 288.435 2.844 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000353593358 382569066 /nfs/dbraw/zinc/56/90/66/382569066.db2.gz KRPVUYYCUTZTHW-YESZJQIVSA-N 2 0 293.499 2.571 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]Cc1cnc2n1CCCC2 ZINC000367439866 382570745 /nfs/dbraw/zinc/57/07/45/382570745.db2.gz XWZOWPVYCLAWHF-CQSZACIVSA-N 2 0 299.418 2.949 20 0 CFADRP COc1cc(C)cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358329793 382571450 /nfs/dbraw/zinc/57/14/50/382571450.db2.gz PCAFTORZXUMSEA-CVEARBPZSA-N 2 0 274.408 2.720 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@@H]2CCC[C@H]21 ZINC000353601028 382572982 /nfs/dbraw/zinc/57/29/82/382572982.db2.gz AAMPVCUJPWAJRH-XYJFISCASA-N 2 0 298.434 2.568 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CN(C)C[C@H]2C)c(C)s1 ZINC000358334648 382573418 /nfs/dbraw/zinc/57/34/18/382573418.db2.gz ZIIUEVMZTGDNDF-OLUVUFQESA-N 2 0 252.427 2.966 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(CSC)CC2)C1 ZINC000385631614 382574285 /nfs/dbraw/zinc/57/42/85/382574285.db2.gz GSTBVEZKVTXVKJ-SLTAFYQDSA-N 2 0 270.486 2.840 20 0 CFADRP COC1(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)CCCC1 ZINC000319146862 382533006 /nfs/dbraw/zinc/53/30/06/382533006.db2.gz IYHBUMIHEZMQGM-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@](C)(CC)OC)CC1 ZINC000319548822 382534945 /nfs/dbraw/zinc/53/49/45/382534945.db2.gz CDJZIEFZIBACNP-OAHLLOKOSA-N 2 0 256.434 2.656 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCF)CN1Cc1ccccc1 ZINC000366634314 382534999 /nfs/dbraw/zinc/53/49/99/382534999.db2.gz NPAYHOPXCBYBFN-CQSZACIVSA-N 2 0 250.361 2.599 20 0 CFADRP Oc1cccc(C[N@H+](CC2CC2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346836651 382536056 /nfs/dbraw/zinc/53/60/56/382536056.db2.gz UVMJDWJLZAKQBF-INIZCTEOSA-N 2 0 274.408 2.604 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccccn2)CC[NH+](C)CC1 ZINC000353628338 382586382 /nfs/dbraw/zinc/58/63/82/382586382.db2.gz WWWLHAGFGCFRDW-ZDUSSCGKSA-N 2 0 279.453 2.560 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCC1 ZINC000367811839 382588512 /nfs/dbraw/zinc/58/85/12/382588512.db2.gz BIGSOQSFBDPIKI-PBHICJAKSA-N 2 0 278.440 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)nc2)[C@@H](C)C1 ZINC000353650479 382595326 /nfs/dbraw/zinc/59/53/26/382595326.db2.gz NMJUXVXOIIXEJZ-YJBOKZPZSA-N 2 0 289.467 2.985 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000295246737 382598209 /nfs/dbraw/zinc/59/82/09/382598209.db2.gz PUJLJZSIRJWUED-CXAGYDPISA-N 2 0 297.402 2.681 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@](C)(OC)c2ccccc2)CC1 ZINC000387448932 382598976 /nfs/dbraw/zinc/59/89/76/382598976.db2.gz UHKZTMMXGCOYQZ-QGZVFWFLSA-N 2 0 276.424 2.622 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(Cc2cc(OC)ccc2F)C1 ZINC000295248189 382599156 /nfs/dbraw/zinc/59/91/56/382599156.db2.gz FSJZPBOAERCXJG-CQSZACIVSA-N 2 0 294.414 2.998 20 0 CFADRP CCc1ncc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000353755637 382626924 /nfs/dbraw/zinc/62/69/24/382626924.db2.gz TUPRLBFCUJVNOJ-OCCSQVGLSA-N 2 0 281.469 2.868 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCCC[C@@H]2C)CC[NH+](C)CC1 ZINC000353612954 382578400 /nfs/dbraw/zinc/57/84/00/382578400.db2.gz ULQNJNNSWMQIPO-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190987337 382687452 /nfs/dbraw/zinc/68/74/52/382687452.db2.gz GDYFEQLUDOXORO-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000190916559 382684867 /nfs/dbraw/zinc/68/48/67/382684867.db2.gz WDTHEQYKISIRLH-MUIFIZLQSA-N 2 0 278.440 2.503 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000336848055 382734635 /nfs/dbraw/zinc/73/46/35/382734635.db2.gz HDYXMNAMPWRYBV-WMZOPIPTSA-N 2 0 289.467 2.931 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000191511998 382701140 /nfs/dbraw/zinc/70/11/40/382701140.db2.gz JVDGKGWNVRCTTN-ROUUACIJSA-N 2 0 293.499 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192437406 382708723 /nfs/dbraw/zinc/70/87/23/382708723.db2.gz PTWWGEFOQXWKGC-QQFBHYJXSA-N 2 0 298.471 2.818 20 0 CFADRP Cc1ccc([C@@H](C[NH2+][C@H]2CCOC[C@@H]2C)N(C)C)cc1 ZINC000192517389 382709751 /nfs/dbraw/zinc/70/97/51/382709751.db2.gz JXXXYQQNKCGXSR-BHYGNILZSA-N 2 0 276.424 2.612 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000575043361 382724819 /nfs/dbraw/zinc/72/48/19/382724819.db2.gz XMMVKRZCDMFJJH-MJGOQNOKSA-N 2 0 299.462 2.881 20 0 CFADRP CC(C)c1nnc([C@@H](C)N[C@H](C)C[C@H]2CCCCC[NH2+]2)[nH]1 ZINC000575115344 382727591 /nfs/dbraw/zinc/72/75/91/382727591.db2.gz YSKWDOQTCMGLQJ-MGPQQGTHSA-N 2 0 293.459 2.890 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336834984 382728492 /nfs/dbraw/zinc/72/84/92/382728492.db2.gz SSKYXBMMHPSAMC-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccncc1 ZINC000575181655 382730229 /nfs/dbraw/zinc/73/02/29/382730229.db2.gz UQHVZQOUOKOQTB-MRXNPFEDSA-N 2 0 255.365 2.781 20 0 CFADRP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194040040 382733658 /nfs/dbraw/zinc/73/36/58/382733658.db2.gz FONBJBQSIMENGF-QBPKDAKJSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336846359 382734452 /nfs/dbraw/zinc/73/44/52/382734452.db2.gz NCGRXQPLFRBQCH-IAGOWNOFSA-N 2 0 292.471 2.762 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194420859 382743673 /nfs/dbraw/zinc/74/36/73/382743673.db2.gz JOJXFQXBQMUXQL-QGZVFWFLSA-N 2 0 274.408 2.921 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4cccnc4)c3)C[C@@H]2C1 ZINC000194542461 382747693 /nfs/dbraw/zinc/74/76/93/382747693.db2.gz GXVYMKFMTAQTSI-KDURUIRLSA-N 2 0 293.414 2.742 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccn4)c3)C[C@@H]2C1 ZINC000194541120 382747851 /nfs/dbraw/zinc/74/78/51/382747851.db2.gz UPBVRCCJKPFLDM-HDICACEKSA-N 2 0 293.414 2.742 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000194567404 382748777 /nfs/dbraw/zinc/74/87/77/382748777.db2.gz FTVPXXCOLNCMLQ-WBVHZDCISA-N 2 0 278.440 2.737 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000219310681 382793305 /nfs/dbraw/zinc/79/33/05/382793305.db2.gz BTCNOWBMPVQJTI-LLVKDONJSA-N 2 0 288.794 2.708 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219316889 382793384 /nfs/dbraw/zinc/79/33/84/382793384.db2.gz ZTOQQEORVMPZGO-HNNXBMFYSA-N 2 0 294.439 2.703 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3F)C[C@H]21 ZINC000228471158 382846776 /nfs/dbraw/zinc/84/67/76/382846776.db2.gz FUFHKCSHXOFQKS-PSOPSSQASA-N 2 0 266.335 2.524 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCSc3ccccc3)C[C@H]21 ZINC000228472456 382847060 /nfs/dbraw/zinc/84/70/60/382847060.db2.gz CLBCSULAENMCNP-FVQBIDKESA-N 2 0 276.449 2.838 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@H]21 ZINC000228534623 382847637 /nfs/dbraw/zinc/84/76/37/382847637.db2.gz AJXCATWOADMKLC-OASPWFOLSA-N 2 0 270.829 2.961 20 0 CFADRP Cc1nc(C[NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[nH]c1C ZINC000577231801 382852682 /nfs/dbraw/zinc/85/26/82/382852682.db2.gz QXRIZZIASALKHE-HNNXBMFYSA-N 2 0 290.386 2.558 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000337295325 382796407 /nfs/dbraw/zinc/79/64/07/382796407.db2.gz AIRNHLVBMJGAEU-QGZVFWFLSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)[NH+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000337301121 382797517 /nfs/dbraw/zinc/79/75/17/382797517.db2.gz OELXAKVEQIOQJL-UHFFFAOYSA-N 2 0 269.477 2.521 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000221282427 382798076 /nfs/dbraw/zinc/79/80/76/382798076.db2.gz ADGAYEWLPBBTLA-RYUDHWBXSA-N 2 0 284.350 2.890 20 0 CFADRP C([NH2+][C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000221846118 382799806 /nfs/dbraw/zinc/79/98/06/382799806.db2.gz UIZLIEYAUHVURZ-NLHADHJGSA-N 2 0 274.452 2.885 20 0 CFADRP CCC[C@@H](C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337339805 382805772 /nfs/dbraw/zinc/80/57/72/382805772.db2.gz RYTSEEVIJSAWIK-MRXNPFEDSA-N 2 0 269.477 2.523 20 0 CFADRP CSCCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000223739503 382806698 /nfs/dbraw/zinc/80/66/98/382806698.db2.gz KNAVVTAXODRIAC-UHFFFAOYSA-N 2 0 258.475 2.982 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229067527 382850255 /nfs/dbraw/zinc/85/02/55/382850255.db2.gz HITCLMRVPBUOEP-UPJWGTAASA-N 2 0 250.361 2.803 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000337346233 382807023 /nfs/dbraw/zinc/80/70/23/382807023.db2.gz WCFWGZOYWDEBPF-KGLIPLIRSA-N 2 0 258.450 2.756 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2(C)CCCC2)CC1 ZINC000337369422 382810738 /nfs/dbraw/zinc/81/07/38/382810738.db2.gz OIDJVOSQZKTXDX-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000576176133 382813284 /nfs/dbraw/zinc/81/32/84/382813284.db2.gz YSJDOASYHYIYIY-OAHLLOKOSA-N 2 0 290.455 2.898 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000337462996 382825124 /nfs/dbraw/zinc/82/51/24/382825124.db2.gz KXFXYOROUVROKG-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325108 382826733 /nfs/dbraw/zinc/82/67/33/382826733.db2.gz KMZRULDOQSTQAI-OLZOCXBDSA-N 2 0 250.361 2.948 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000226325671 382826887 /nfs/dbraw/zinc/82/68/87/382826887.db2.gz VOKRSDXKRISJSK-KGLIPLIRSA-N 2 0 262.397 2.817 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000226435386 382828541 /nfs/dbraw/zinc/82/85/41/382828541.db2.gz KYEWPKHMHVVRGP-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP Cc1nc(C)c([C@@H](C)N(C)C[C@@H]2CCC[NH2+]C2)s1 ZINC000226439570 382828844 /nfs/dbraw/zinc/82/88/44/382828844.db2.gz JTHMIZYAPBQDLK-DGCLKSJQSA-N 2 0 267.442 2.752 20 0 CFADRP CC(C)[NH2+]CCCN[C@H](C)c1ccc(Cl)cn1 ZINC000576626728 382829915 /nfs/dbraw/zinc/82/99/15/382829915.db2.gz XODOHXXBKRHFPY-LLVKDONJSA-N 2 0 255.793 2.774 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCC(F)(F)F)c2ccccc21 ZINC000576695447 382832289 /nfs/dbraw/zinc/83/22/89/382832289.db2.gz RZTNHLNPZJBXQT-QWHCGFSZSA-N 2 0 288.313 2.690 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227075203 382833039 /nfs/dbraw/zinc/83/30/39/382833039.db2.gz PWBATTBYXXZUTR-DOTOQJQBSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000227184876 382834637 /nfs/dbraw/zinc/83/46/37/382834637.db2.gz GLKMLHQTQGWGPH-GXTWGEPZSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)nn1C ZINC000337514309 382835581 /nfs/dbraw/zinc/83/55/81/382835581.db2.gz KVOOVINLYUDMNU-HOCLYGCPSA-N 2 0 292.471 2.891 20 0 CFADRP OCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000227455172 382837227 /nfs/dbraw/zinc/83/72/27/382837227.db2.gz LSSZMKQDPHBQIS-FGTMMUONSA-N 2 0 288.435 2.579 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000576861454 382838743 /nfs/dbraw/zinc/83/87/43/382838743.db2.gz RBZIIQUWIGXZAA-OAHLLOKOSA-N 2 0 291.439 2.690 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000577026115 382844688 /nfs/dbraw/zinc/84/46/88/382844688.db2.gz IEMSPCUUCUMXRL-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000228195177 382845494 /nfs/dbraw/zinc/84/54/94/382845494.db2.gz MFSJICSBHNCAOI-GDBMZVCRSA-N 2 0 276.424 2.643 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN3CCCC[C@@H]13)CO2 ZINC000493895178 382907079 /nfs/dbraw/zinc/90/70/79/382907079.db2.gz VBHOWFMUAJDPMN-BBWFWOEESA-N 2 0 286.419 2.597 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000229936148 382854440 /nfs/dbraw/zinc/85/44/40/382854440.db2.gz FQRYGGBWECEQKA-AWEZNQCLSA-N 2 0 276.424 2.645 20 0 CFADRP CCN(CCC[NH+](CC)CC)Cc1ccc(OC)c(O)c1 ZINC000230745092 382863022 /nfs/dbraw/zinc/86/30/22/382863022.db2.gz SHLGSKGLUGYQOU-UHFFFAOYSA-N 2 0 294.439 2.955 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCOc1ccccc1 ZINC000577610416 382864620 /nfs/dbraw/zinc/86/46/20/382864620.db2.gz HJKXKSWZLUWOJV-HOTGVXAUSA-N 2 0 276.424 2.905 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000233516703 382871849 /nfs/dbraw/zinc/87/18/49/382871849.db2.gz XYHGIJIMSKWREA-SUMWQHHRSA-N 2 0 274.408 2.701 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000577866064 382873783 /nfs/dbraw/zinc/87/37/83/382873783.db2.gz XEICDTWYTAXWLL-XUXIUFHCSA-N 2 0 262.372 2.931 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000577887433 382874606 /nfs/dbraw/zinc/87/46/06/382874606.db2.gz QWORMUZBHSWQSO-JHJVBQTASA-N 2 0 262.422 2.735 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000578323648 382910905 /nfs/dbraw/zinc/91/09/05/382910905.db2.gz RFZDXWMVCXJWFV-IRXDYDNUSA-N 2 0 288.435 2.614 20 0 CFADRP CC1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000578067892 382886858 /nfs/dbraw/zinc/88/68/58/382886858.db2.gz KCYSHLXYELKPGT-UHFFFAOYSA-N 2 0 288.435 2.533 20 0 CFADRP CC(C)[NH2+]CCC[NH2+]C1CCc2ccccc2CC1 ZINC000578126497 382892377 /nfs/dbraw/zinc/89/23/77/382892377.db2.gz MMAGBBBWBCGYNV-UHFFFAOYSA-N 2 0 260.425 2.912 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337997088 382895249 /nfs/dbraw/zinc/89/52/49/382895249.db2.gz JUSYXTJWJUSYOG-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236955146 382936990 /nfs/dbraw/zinc/93/69/90/382936990.db2.gz RZXSINNCHVEVNJ-INIZCTEOSA-N 2 0 289.423 2.738 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877589 382963703 /nfs/dbraw/zinc/96/37/03/382963703.db2.gz REJKAJSTTVYSOA-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000578627837 382937795 /nfs/dbraw/zinc/93/77/95/382937795.db2.gz CCEYDWXIJMCVHD-ZDUSSCGKSA-N 2 0 297.402 2.955 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421842765 382943379 /nfs/dbraw/zinc/94/33/79/382943379.db2.gz OUWACRXEOVDRDN-ZDUSSCGKSA-N 2 0 299.846 2.744 20 0 CFADRP CC(C)C[C@H](CO)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578735679 382948814 /nfs/dbraw/zinc/94/88/14/382948814.db2.gz WUMMEEZZXLSPIF-CYBMUJFWSA-N 2 0 293.436 2.773 20 0 CFADRP CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578735680 382948956 /nfs/dbraw/zinc/94/89/56/382948956.db2.gz WUMMEEZZXLSPIF-ZDUSSCGKSA-N 2 0 293.436 2.773 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CCCc2cncn2C)C1 ZINC000578761267 382952530 /nfs/dbraw/zinc/95/25/30/382952530.db2.gz AFDXILMGDDWMGI-OAHLLOKOSA-N 2 0 281.469 2.960 20 0 CFADRP [NH3+][C@H]1CCCCCC[C@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000442771031 382952961 /nfs/dbraw/zinc/95/29/61/382952961.db2.gz OYZGDIMAKCWLEA-NEPJUHHUSA-N 2 0 278.400 2.563 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)[C@@H]1C ZINC000495031412 382953772 /nfs/dbraw/zinc/95/37/72/382953772.db2.gz ROUOVYNISODLKO-FMKPAKJESA-N 2 0 291.439 2.546 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1cccc2ccccc21 ZINC000442780523 382955620 /nfs/dbraw/zinc/95/56/20/382955620.db2.gz NVNDOUMNTSFDHR-HUUCEWRRSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000578824778 382957079 /nfs/dbraw/zinc/95/70/79/382957079.db2.gz TYCOYWYLBJJULT-KGLIPLIRSA-N 2 0 288.439 2.680 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000495085105 382960100 /nfs/dbraw/zinc/96/01/00/382960100.db2.gz OBCCOARXTXCFRU-RKVPGOIHSA-N 2 0 290.451 2.804 20 0 CFADRP CC[NH+](CC)CCCN(C)C1CC[NH+](C(C)C)CC1 ZINC000338236949 382960208 /nfs/dbraw/zinc/96/02/08/382960208.db2.gz POYPAAPAFOXPGL-UHFFFAOYSA-N 2 0 269.477 2.523 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCO[C@@H]2CCCCO2)CC1 ZINC000338238431 382961077 /nfs/dbraw/zinc/96/10/77/382961077.db2.gz UDGDCOPZDFQFBH-QGZVFWFLSA-N 2 0 298.471 2.724 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1(C)C ZINC000442871939 382962003 /nfs/dbraw/zinc/96/20/03/382962003.db2.gz MLCQMYOFERAJPR-SJORKVTESA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000578359643 382913795 /nfs/dbraw/zinc/91/37/95/382913795.db2.gz OANRKWCSCIMRHY-BFHYXJOUSA-N 2 0 292.448 2.789 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422795792 532965172 /nfs/dbraw/zinc/96/51/72/532965172.db2.gz ICGIAMQGTADWCL-ZJUUUORDSA-N 2 0 276.302 2.801 20 0 CFADRP C[C@]1(F)CC[NH+](CCCC[N@H+]2CC[C@](C)(F)C2)C1 ZINC000534308266 382924300 /nfs/dbraw/zinc/92/43/00/382924300.db2.gz UZPTXUQPDBHWHY-KBPBESRZSA-N 2 0 260.372 2.634 20 0 CFADRP Cc1cc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(C)n1 ZINC000421893156 382963014 /nfs/dbraw/zinc/96/30/14/382963014.db2.gz WVPDKCNXDCLAKX-DIOULYMOSA-N 2 0 261.413 2.517 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000578518513 382927903 /nfs/dbraw/zinc/92/79/03/382927903.db2.gz MYLDAVZTCRMSKT-OCCSQVGLSA-N 2 0 252.427 2.788 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H]1C ZINC000494814246 382930863 /nfs/dbraw/zinc/93/08/63/382930863.db2.gz ZSJWODNFYIGGGI-CQJMVSDSSA-N 2 0 268.445 2.510 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000421821658 382932942 /nfs/dbraw/zinc/93/29/42/382932942.db2.gz SNZAJLBOHUKBMK-CQSZACIVSA-N 2 0 280.456 2.798 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)CCCC1 ZINC000421821157 382933380 /nfs/dbraw/zinc/93/33/80/382933380.db2.gz PSQPEMMZSWDXOY-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000422958980 532963310 /nfs/dbraw/zinc/96/33/10/532963310.db2.gz ZVBFSRKZWCNFRJ-KGLIPLIRSA-N 2 0 287.407 2.719 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000422940708 532963352 /nfs/dbraw/zinc/96/33/52/532963352.db2.gz UFQYZHRPXLQUIM-ZJUUUORDSA-N 2 0 271.202 2.665 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723186 382975532 /nfs/dbraw/zinc/97/55/32/382975532.db2.gz ZUUZUFJWHSKWJB-DLBZAZTESA-N 3 0 281.488 2.620 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)COCc1ccccc1 ZINC000422764739 382977837 /nfs/dbraw/zinc/97/78/37/382977837.db2.gz QDCXWYOSHIVAEJ-SOLBZPMBSA-N 2 0 290.451 2.817 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422754216 382977958 /nfs/dbraw/zinc/97/79/58/382977958.db2.gz GRVLVDWPVWUVMG-OWCLPIDISA-N 3 0 283.504 2.850 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423023074 383016578 /nfs/dbraw/zinc/01/65/78/383016578.db2.gz GSAZUUOEIJEBGG-GOEBONIOSA-N 2 0 261.413 2.596 20 0 CFADRP Cc1ccc([C@H](C[NH2+]C2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000422781025 382978732 /nfs/dbraw/zinc/97/87/32/382978732.db2.gz JZUUJDNHIUQXOE-VJFUWPCTSA-N 2 0 289.467 2.705 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422812340 382981337 /nfs/dbraw/zinc/98/13/37/382981337.db2.gz XMKWESKGYJDHIL-XEZPLFJOSA-N 2 0 289.423 2.684 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422802033 382981441 /nfs/dbraw/zinc/98/14/41/382981441.db2.gz AQVNAONEZWZJKC-QLFBSQMISA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829694 382981620 /nfs/dbraw/zinc/98/16/20/382981620.db2.gz HRSIOFIDVRNNAU-OIISXLGYSA-N 2 0 275.440 2.941 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422833084 382981989 /nfs/dbraw/zinc/98/19/89/382981989.db2.gz YFKFBOLHSFUUOD-HNNXBMFYSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@H](CCN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000422818454 382982206 /nfs/dbraw/zinc/98/22/06/382982206.db2.gz GEKJYFVLUMXLEX-JFIYKMOQSA-N 2 0 289.467 2.627 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422824318 382982319 /nfs/dbraw/zinc/98/23/19/382982319.db2.gz NLNLCZUEBOAIMB-YOEHRIQHSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422830308 382982481 /nfs/dbraw/zinc/98/24/81/382982481.db2.gz CNCKKQAWWOYFIB-BPUTZDHNSA-N 2 0 276.449 2.734 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000422841920 382983746 /nfs/dbraw/zinc/98/37/46/382983746.db2.gz XGQBYTKJHUOXQP-FXUDXRNXSA-N 2 0 282.472 2.948 20 0 CFADRP CC[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422865564 382984829 /nfs/dbraw/zinc/98/48/29/382984829.db2.gz YOINAMCZDJWPQW-BHYGNILZSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422874449 382985249 /nfs/dbraw/zinc/98/52/49/382985249.db2.gz CYQKOPBUWAJBJP-MRXNPFEDSA-N 3 0 269.477 2.606 20 0 CFADRP C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1c[nH+]ccc1N ZINC000422896680 382986513 /nfs/dbraw/zinc/98/65/13/382986513.db2.gz YQHMPUKOKMYDOQ-GUYCJALGSA-N 2 0 290.455 2.655 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422977457 382992619 /nfs/dbraw/zinc/99/26/19/382992619.db2.gz FMEAPEXXTCSNNF-KURKYZTESA-N 2 0 288.435 2.940 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)CO2 ZINC000338327559 382992945 /nfs/dbraw/zinc/99/29/45/382992945.db2.gz ZBWYXZIZYZSJPA-QGZVFWFLSA-N 2 0 288.435 2.846 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1 ZINC000422975652 382993143 /nfs/dbraw/zinc/99/31/43/382993143.db2.gz BRXFSCOTLAZDRA-IIAWOOMASA-N 2 0 262.397 2.561 20 0 CFADRP CCC[N@@H+]1CC[C@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422978606 382993807 /nfs/dbraw/zinc/99/38/07/382993807.db2.gz ZTFBTRGYVIJSIE-BRWVUGGUSA-N 2 0 281.488 2.619 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422981723 382994848 /nfs/dbraw/zinc/99/48/48/382994848.db2.gz PDRLPZIRWIJYFP-CEXWTWQISA-N 2 0 284.447 2.912 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000422980816 382994907 /nfs/dbraw/zinc/99/49/07/382994907.db2.gz RFXJEYGGPTYSRJ-SUMWQHHRSA-N 2 0 293.455 2.687 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422982043 382995338 /nfs/dbraw/zinc/99/53/38/382995338.db2.gz VFWCPRBDBTYIDO-IKGGRYGDSA-N 2 0 276.424 2.908 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000422987721 382997487 /nfs/dbraw/zinc/99/74/87/382997487.db2.gz IXOUCQYMTPLWLP-ZLGJRNTRSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422989455 382998489 /nfs/dbraw/zinc/99/84/89/382998489.db2.gz LVMSHCMQTLVYTG-XJKSGUPXSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000422993058 383000208 /nfs/dbraw/zinc/00/02/08/383000208.db2.gz SFLOKGPGPKCPTB-DYTBSURPSA-N 2 0 270.420 2.693 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000422992475 383000230 /nfs/dbraw/zinc/00/02/30/383000230.db2.gz CQIPKHVNMQMQFL-HRCADAONSA-N 2 0 270.461 2.948 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000422995065 383001076 /nfs/dbraw/zinc/00/10/76/383001076.db2.gz WYALYJNYBTYVHD-XJNFMUPTSA-N 2 0 276.424 2.840 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000422995061 383001138 /nfs/dbraw/zinc/00/11/38/383001138.db2.gz WYALYJNYBTYVHD-DIECFANBSA-N 2 0 276.424 2.840 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422996205 383001241 /nfs/dbraw/zinc/00/12/41/383001241.db2.gz LHKCBPYTXRHIJN-ZACQAIPSSA-N 2 0 273.424 2.525 20 0 CFADRP COCC[C@H]([NH2+]CCC[NH+]1CCCCC1)C(C)(C)C ZINC000338357345 383001541 /nfs/dbraw/zinc/00/15/41/383001541.db2.gz UTDGANGROQWGML-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000422996589 383003356 /nfs/dbraw/zinc/00/33/56/383003356.db2.gz TWVGJGXEJIAQBJ-UUAJXVIYSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1ccccn1 ZINC000422999862 383004177 /nfs/dbraw/zinc/00/41/77/383004177.db2.gz TWGGJOAPXQQHSH-WBVHZDCISA-N 2 0 275.440 2.915 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423000976 383004269 /nfs/dbraw/zinc/00/42/69/383004269.db2.gz HFPXSNLUJMFOII-ZBFHGGJFSA-N 2 0 262.397 2.611 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000579342105 383004416 /nfs/dbraw/zinc/00/44/16/383004416.db2.gz LAUSJJNJZXWZDZ-CQSZACIVSA-N 2 0 264.413 2.606 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000423001344 383004446 /nfs/dbraw/zinc/00/44/46/383004446.db2.gz HYWKHIDCFWBVEP-KBPBESRZSA-N 2 0 282.815 2.968 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000423001172 383004634 /nfs/dbraw/zinc/00/46/34/383004634.db2.gz WUJWTNQIBXDXGV-KBPBESRZSA-N 2 0 269.392 2.964 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423004012 383007002 /nfs/dbraw/zinc/00/70/02/383007002.db2.gz OBAQKMNEOCQHJP-XIRDDKMYSA-N 2 0 292.467 2.578 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000423005829 383008384 /nfs/dbraw/zinc/00/83/84/383008384.db2.gz SYENNSIGCFIAEI-MLGOLLRUSA-N 2 0 293.455 2.542 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000423006519 383008914 /nfs/dbraw/zinc/00/89/14/383008914.db2.gz VPAPLJMUYCOBBL-WBVHZDCISA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H]([NH2+]CCC1Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000423014466 383011184 /nfs/dbraw/zinc/01/11/84/383011184.db2.gz PDQDCBLIXLXPDR-RDTXWAMCSA-N 2 0 272.436 2.912 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013701 383011356 /nfs/dbraw/zinc/01/13/56/383011356.db2.gz NILXXSALJSQGHD-UONOGXRCSA-N 2 0 258.475 2.886 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423013452 383011497 /nfs/dbraw/zinc/01/14/97/383011497.db2.gz MUPOIOXFFWIFNW-LESCRADOSA-N 2 0 290.451 2.981 20 0 CFADRP Cc1cc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)ccc1F ZINC000423013472 383011531 /nfs/dbraw/zinc/01/15/31/383011531.db2.gz MWOIWUOUSJODCO-INIZCTEOSA-N 2 0 262.372 2.927 20 0 CFADRP FC(F)(F)CSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423013981 383011685 /nfs/dbraw/zinc/01/16/85/383011685.db2.gz HETQNVOPMJYGMF-QJPTWQEYSA-N 2 0 296.402 2.792 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H](C)CCC[NH3+])C2CC2)c1 ZINC000423013871 383011719 /nfs/dbraw/zinc/01/17/19/383011719.db2.gz NQFCDLZRGRLXGR-GUYCJALGSA-N 2 0 276.424 2.733 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423015057 383012953 /nfs/dbraw/zinc/01/29/53/383012953.db2.gz QIOALUJKUWRJJD-HUUCEWRRSA-N 2 0 286.423 2.709 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1(C)C ZINC000423018062 383013930 /nfs/dbraw/zinc/01/39/30/383013930.db2.gz QASPXJFFERUYHS-WJCKQCIISA-N 2 0 291.439 2.559 20 0 CFADRP C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000423020117 383015373 /nfs/dbraw/zinc/01/53/73/383015373.db2.gz YUXPTDGAVKZGII-YOEHRIQHSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423020920 383016156 /nfs/dbraw/zinc/01/61/56/383016156.db2.gz DEEJFTVANXVUBC-QPSCCSFWSA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000578977069 382971013 /nfs/dbraw/zinc/97/10/13/382971013.db2.gz KISBUGOXJGGKOC-DLBZAZTESA-N 2 0 296.418 2.751 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000578976319 382971096 /nfs/dbraw/zinc/97/10/96/382971096.db2.gz DQOFWDYUOVKPGB-LBPRGKRZSA-N 2 0 275.421 2.825 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423047160 383028479 /nfs/dbraw/zinc/02/84/79/383028479.db2.gz GPHHURMJKIKTMV-SIIHOXLZSA-N 2 0 288.435 2.845 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)C1C[NH2+]C1 ZINC000423047094 383028484 /nfs/dbraw/zinc/02/84/84/383028484.db2.gz UTTMZUNEOATAPZ-WDEREUQCSA-N 2 0 286.341 2.834 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423049430 383030254 /nfs/dbraw/zinc/03/02/54/383030254.db2.gz XNMNXKFUXCPQEG-NVXWUHKLSA-N 2 0 287.451 2.894 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000423049837 383031617 /nfs/dbraw/zinc/03/16/17/383031617.db2.gz XYGFNJBYTDCBLL-ZJIFWQFVSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423049879 383031641 /nfs/dbraw/zinc/03/16/41/383031641.db2.gz YHHDNVGTXBDEBP-QKPAOTATSA-N 2 0 268.445 2.700 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCO2 ZINC000423049786 383031740 /nfs/dbraw/zinc/03/17/40/383031740.db2.gz KULNEXMNCINMIS-DOMZBBRYSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@@H]([NH2+][C@@H]1c2ccccc2CCC[C@H]1C)C1C[NH2+]C1 ZINC000423053706 383033254 /nfs/dbraw/zinc/03/32/54/383033254.db2.gz SRLREHGPPNUGOY-XNJGSVPQSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423054362 383033328 /nfs/dbraw/zinc/03/33/28/383033328.db2.gz UPAMAPKFQGDCDD-NRSFXHEJSA-N 2 0 288.435 2.884 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423057117 383034514 /nfs/dbraw/zinc/03/45/14/383034514.db2.gz HAFQZUSWQBTKIB-CABCVRRESA-N 2 0 275.440 2.619 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423062837 383036662 /nfs/dbraw/zinc/03/66/62/383036662.db2.gz UWXJGERRMYFTKU-YSVLISHTSA-N 2 0 258.409 2.595 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccs2)[C@@H](C)C1 ZINC000245803360 383037374 /nfs/dbraw/zinc/03/73/74/383037374.db2.gz YEQLKZYVJYCYKK-JSGCOSHPSA-N 2 0 252.427 2.910 20 0 CFADRP Cc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1Br ZINC000423064732 383037909 /nfs/dbraw/zinc/03/79/09/383037909.db2.gz AGQVRYBWEDCUQJ-LLVKDONJSA-N 2 0 285.229 2.975 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000423066543 383038112 /nfs/dbraw/zinc/03/81/12/383038112.db2.gz WZQSYSKSPJIJJL-GLQYFDAESA-N 2 0 278.371 2.756 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423069358 383039627 /nfs/dbraw/zinc/03/96/27/383039627.db2.gz AUVOWWMCQMKIAI-ZBFHGGJFSA-N 2 0 261.413 2.726 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000423068681 383039635 /nfs/dbraw/zinc/03/96/35/383039635.db2.gz KMYPXDXGJRGASE-YESZJQIVSA-N 2 0 282.472 2.661 20 0 CFADRP C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423096058 383041036 /nfs/dbraw/zinc/04/10/36/383041036.db2.gz NXDLUVVGAGMOEA-JQHSSLGASA-N 2 0 293.499 2.904 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000423390799 383078721 /nfs/dbraw/zinc/07/87/21/383078721.db2.gz KNOSQIVFGWYGAR-JFGNBEQYSA-N 2 0 267.442 2.663 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423102165 383042940 /nfs/dbraw/zinc/04/29/40/383042940.db2.gz ODPXOAOSKFGPIQ-JKSUJKDBSA-N 3 0 281.488 2.748 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423130643 383043648 /nfs/dbraw/zinc/04/36/48/383043648.db2.gz MZWAIJYXDSRSIJ-IMJJTQAJSA-N 2 0 291.414 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000579701922 383044150 /nfs/dbraw/zinc/04/41/50/383044150.db2.gz PDOCNBFYGYNJHT-QGTPRVQTSA-N 2 0 296.418 2.673 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000579701924 383044593 /nfs/dbraw/zinc/04/45/93/383044593.db2.gz PDOCNBFYGYNJHT-ZTFGCOKTSA-N 2 0 296.418 2.673 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000423148343 383045464 /nfs/dbraw/zinc/04/54/64/383045464.db2.gz VFLAPLDITZBUGR-CVEARBPZSA-N 2 0 258.409 2.804 20 0 CFADRP CC(F)(F)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423143644 383045640 /nfs/dbraw/zinc/04/56/40/383045640.db2.gz DODUHWSNUNUWDE-XJKSGUPXSA-N 2 0 296.361 2.877 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000423153849 383046551 /nfs/dbraw/zinc/04/65/51/383046551.db2.gz IFIJKHMUJBDOIF-OAGGEKHMSA-N 2 0 270.461 2.936 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423166144 383046666 /nfs/dbraw/zinc/04/66/66/383046666.db2.gz QOZRIZLTZBFMHV-ITQYTPKQSA-N 2 0 298.430 2.878 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)C1CCSCC1 ZINC000423178095 383047915 /nfs/dbraw/zinc/04/79/15/383047915.db2.gz KBCBMCRXRCPTKP-GFCCVEGCSA-N 2 0 256.459 2.769 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423179230 383047968 /nfs/dbraw/zinc/04/79/68/383047968.db2.gz JHPNKFFALLPLBO-ZIAGYGMSSA-N 2 0 280.362 2.856 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423184207 383049100 /nfs/dbraw/zinc/04/91/00/383049100.db2.gz NFPCVERDAFARDJ-LMNGEROHSA-N 2 0 280.456 2.702 20 0 CFADRP c1ccc([C@@H]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423208259 383050205 /nfs/dbraw/zinc/05/02/05/383050205.db2.gz HQPXRIDINAWUBZ-OIISXLGYSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423227004 383051335 /nfs/dbraw/zinc/05/13/35/383051335.db2.gz TWHODRMXXNULPQ-NHYWBVRUSA-N 2 0 257.381 2.872 20 0 CFADRP C[NH2+]CCN[C@@H](c1ccccc1OC)C1CCCC1 ZINC000423223659 383051406 /nfs/dbraw/zinc/05/14/06/383051406.db2.gz HAXMLGVVCMPZGZ-MRXNPFEDSA-N 2 0 262.397 2.736 20 0 CFADRP C[NH2+]CCN[C@H](c1ccccc1OC)C1CCCC1 ZINC000423223658 383051914 /nfs/dbraw/zinc/05/19/14/383051914.db2.gz HAXMLGVVCMPZGZ-INIZCTEOSA-N 2 0 262.397 2.736 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423252787 383052944 /nfs/dbraw/zinc/05/29/44/383052944.db2.gz URSITUMJVXQCSN-GUYCJALGSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423267593 383053904 /nfs/dbraw/zinc/05/39/04/383053904.db2.gz CTXCCJFIUFEJRQ-DFBGVHRSSA-N 2 0 292.398 2.929 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H](C)C[NH3+] ZINC000423299918 383056865 /nfs/dbraw/zinc/05/68/65/383056865.db2.gz CRDZBHNXTWGYHO-IAQYHMDHSA-N 2 0 262.397 2.602 20 0 CFADRP Cc1cc([C@H]([NH2+]CC(C)(C)[NH3+])C2CC2)ccc1F ZINC000423286914 383057250 /nfs/dbraw/zinc/05/72/50/383057250.db2.gz JKRJZDNBVMDTEU-CQSZACIVSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423318316 383058141 /nfs/dbraw/zinc/05/81/41/383058141.db2.gz DPUNYDBXXGHMHQ-IAQYHMDHSA-N 2 0 262.372 2.920 20 0 CFADRP CSCC1CCC([NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000423324348 383058535 /nfs/dbraw/zinc/05/85/35/383058535.db2.gz BCZFRJDXIUTWPH-YMAMQOFZSA-N 2 0 270.486 2.888 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423335701 383059236 /nfs/dbraw/zinc/05/92/36/383059236.db2.gz GOQYINHYZBYTCL-QGZVFWFLSA-N 2 0 286.419 2.927 20 0 CFADRP COC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423354560 383060771 /nfs/dbraw/zinc/06/07/71/383060771.db2.gz NNRMXDGZAQLOIF-AWEZNQCLSA-N 2 0 298.789 2.676 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354310 383061381 /nfs/dbraw/zinc/06/13/81/383061381.db2.gz CQTCDFGBRHWBPE-GDBMZVCRSA-N 2 0 276.449 2.749 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423393032 383079808 /nfs/dbraw/zinc/07/98/08/383079808.db2.gz QIERXGGNFMYKNT-DLBZAZTESA-N 2 0 288.435 2.973 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355645 383062369 /nfs/dbraw/zinc/06/23/69/383062369.db2.gz FQFTZNSKSMMQBP-PBHICJAKSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(C)c1OC ZINC000423354812 383062694 /nfs/dbraw/zinc/06/26/94/383062694.db2.gz HBWHRJBSDKNZOK-UONOGXRCSA-N 2 0 292.423 2.805 20 0 CFADRP c1ccc([C@@H]2CC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423360147 383063509 /nfs/dbraw/zinc/06/35/09/383063509.db2.gz VSPBIWGXYHQLRY-SJORKVTESA-N 2 0 256.393 2.832 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423391738 383080019 /nfs/dbraw/zinc/08/00/19/383080019.db2.gz PREQIMHKDYXLDG-CPUCHLNUSA-N 2 0 274.408 2.932 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)[C@H]1OC ZINC000423365393 383066284 /nfs/dbraw/zinc/06/62/84/383066284.db2.gz BDXFDIICIUOZKF-VQJWOFKYSA-N 2 0 268.445 2.686 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000579931836 383066828 /nfs/dbraw/zinc/06/68/28/383066828.db2.gz LRLKTBISIFHTDY-OCCSQVGLSA-N 2 0 252.427 2.972 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423368101 383067421 /nfs/dbraw/zinc/06/74/21/383067421.db2.gz CXNRPTGAMMVXSI-APIJFGDWSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000552071091 383068578 /nfs/dbraw/zinc/06/85/78/383068578.db2.gz OYUYUOVMVYAZEU-GJZGRUSLSA-N 2 0 288.439 2.680 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cn1 ZINC000579953454 383068946 /nfs/dbraw/zinc/06/89/46/383068946.db2.gz GNWDIRGZEKIXES-ZDUSSCGKSA-N 2 0 272.396 2.774 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCC2 ZINC000423375136 383071179 /nfs/dbraw/zinc/07/11/79/383071179.db2.gz ITNCTLWDPCQYAS-IAGOWNOFSA-N 2 0 286.419 2.727 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000246389163 383075196 /nfs/dbraw/zinc/07/51/96/383075196.db2.gz AQUHWDPZYIKSGM-SZMVWBNQSA-N 2 0 289.467 2.609 20 0 CFADRP CC[N@H+]1C[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000423382125 383075275 /nfs/dbraw/zinc/07/52/75/383075275.db2.gz DGDPHAUYMQWVPF-KYNGSXCRSA-N 2 0 297.446 2.769 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423383951 383076664 /nfs/dbraw/zinc/07/66/64/383076664.db2.gz PMXYINPFAIGQAV-CJNGLKHVSA-N 2 0 266.404 2.980 20 0 CFADRP c1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc2c1C[NH2+]C2 ZINC000423386075 383077152 /nfs/dbraw/zinc/07/71/52/383077152.db2.gz LXINZZQLRVUKKP-FGTMMUONSA-N 2 0 298.430 2.727 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423027802 383018957 /nfs/dbraw/zinc/01/89/57/383018957.db2.gz PYQBVFFZJYVBMM-RHSMWYFYSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423028560 383018963 /nfs/dbraw/zinc/01/89/63/383018963.db2.gz GRXGJEPUDSESGE-ZFWWWQNUSA-N 2 0 279.403 2.605 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423032373 383021305 /nfs/dbraw/zinc/02/13/05/383021305.db2.gz MHGINBZZXZWTIE-WMLDXEAASA-N 2 0 298.434 2.565 20 0 CFADRP COC1CCC(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000423032964 383022587 /nfs/dbraw/zinc/02/25/87/383022587.db2.gz FWARNNFQNIZODD-SLTXQBBLSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@H]([NH2+]CCCNc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423035216 383022721 /nfs/dbraw/zinc/02/27/21/383022721.db2.gz RDAZOHLLUOQXLG-HOTGVXAUSA-N 2 0 279.403 2.748 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC2)cc1 ZINC000423037239 383023123 /nfs/dbraw/zinc/02/31/23/383023123.db2.gz VYBPRLLYTMGPLE-KGLIPLIRSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)s1 ZINC000423037353 383023261 /nfs/dbraw/zinc/02/32/61/383023261.db2.gz MTGQXGYGOPCKCO-PKSQDBQZSA-N 2 0 267.442 2.662 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423036027 383023553 /nfs/dbraw/zinc/02/35/53/383023553.db2.gz KLTZAKXFHBNFSP-NQBHXWOUSA-N 2 0 267.442 2.533 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423037103 383023930 /nfs/dbraw/zinc/02/39/30/383023930.db2.gz MJTPWYCOJJJRAL-KGYLQXTDSA-N 2 0 267.442 2.805 20 0 CFADRP CS[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036216 383023939 /nfs/dbraw/zinc/02/39/39/383023939.db2.gz SSBDDMCBAZWZOU-FRRDWIJNSA-N 2 0 258.475 2.884 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000423042408 383025840 /nfs/dbraw/zinc/02/58/40/383025840.db2.gz LBPNRGVQBOZEHU-OSRDXIQISA-N 2 0 256.434 2.686 20 0 CFADRP COC1CCC(CC[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000423041084 383026426 /nfs/dbraw/zinc/02/64/26/383026426.db2.gz VXGDWHUUFPBLII-WLYUNCDWSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423041519 383026733 /nfs/dbraw/zinc/02/67/33/383026733.db2.gz JGODSLMHKOFMMB-QMTHXVAHSA-N 2 0 286.341 2.624 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423044554 383027132 /nfs/dbraw/zinc/02/71/32/383027132.db2.gz BHJVTKNXNAYTTC-WOPDTQHZSA-N 2 0 266.433 2.723 20 0 CFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])OC(C)C ZINC000423045101 383027803 /nfs/dbraw/zinc/02/78/03/383027803.db2.gz BKXCKIJNOHXPJS-CPUCHLNUSA-N 2 0 294.439 2.877 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423492512 383120719 /nfs/dbraw/zinc/12/07/19/383120719.db2.gz NHYQSNFVAOZGDU-ROUUACIJSA-N 2 0 290.451 2.612 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423497127 383121351 /nfs/dbraw/zinc/12/13/51/383121351.db2.gz YFVBVFVUFYJKPB-SNPRPXQTSA-N 2 0 292.423 2.872 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423539480 383126407 /nfs/dbraw/zinc/12/64/07/383126407.db2.gz IKKRVDRGVRYCPP-BRSBDYLESA-N 2 0 272.436 2.985 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423553872 383127945 /nfs/dbraw/zinc/12/79/45/383127945.db2.gz WFSZMOHUBJBIOI-JRATXPSKSA-N 2 0 274.383 2.791 20 0 CFADRP COc1cc(C)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000449011948 383131127 /nfs/dbraw/zinc/13/11/27/383131127.db2.gz WRNHPEREGSMAJV-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000247034839 383134725 /nfs/dbraw/zinc/13/47/25/383134725.db2.gz NVAQRVJBWNEJKE-MSOLQXFVSA-N 2 0 293.499 2.572 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449020690 383135376 /nfs/dbraw/zinc/13/53/76/383135376.db2.gz ZSDASFNNAHJAGZ-UHFFFAOYSA-N 2 0 287.407 2.992 20 0 CFADRP CC[C@H](O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000339062557 383137514 /nfs/dbraw/zinc/13/75/14/383137514.db2.gz HLYINMQOTGJFEF-KRWDZBQOSA-N 2 0 284.488 2.837 20 0 CFADRP CC[C@@H](O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000339062558 383137544 /nfs/dbraw/zinc/13/75/44/383137544.db2.gz HLYINMQOTGJFEF-QGZVFWFLSA-N 2 0 284.488 2.837 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067849 383138888 /nfs/dbraw/zinc/13/88/88/383138888.db2.gz JOAZHTSPXKEARL-SJORKVTESA-N 2 0 288.435 2.899 20 0 CFADRP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C2CC2)c1 ZINC000423398396 383082156 /nfs/dbraw/zinc/08/21/56/383082156.db2.gz OWHHZFFAOKNSSL-QGTPRVQTSA-N 2 0 272.436 2.904 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)s1 ZINC000423405763 383085689 /nfs/dbraw/zinc/08/56/89/383085689.db2.gz ZQKHYMNBTMHWJX-ZDUSSCGKSA-N 2 0 296.480 2.977 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC[NH2+]CC1 ZINC000423409524 383086467 /nfs/dbraw/zinc/08/64/67/383086467.db2.gz QGSIPYSRDICZSZ-CABCVRRESA-N 2 0 286.435 2.511 20 0 CFADRP CCCC[C@@H](COC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423407337 383086635 /nfs/dbraw/zinc/08/66/35/383086635.db2.gz ZXNNJQKJCJFDTB-INIZCTEOSA-N 2 0 262.397 2.585 20 0 CFADRP COCC1(C[NH2+][C@H]2CCc3c2cccc3C)CC[NH2+]CC1 ZINC000423411543 383087372 /nfs/dbraw/zinc/08/73/72/383087372.db2.gz UVCHIGZLGFAIRJ-KRWDZBQOSA-N 2 0 288.435 2.588 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCCC1 ZINC000423412739 383088156 /nfs/dbraw/zinc/08/81/56/383088156.db2.gz XIXYKKFGVJVSIH-HNNXBMFYSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccncc1F ZINC000423426520 383091739 /nfs/dbraw/zinc/09/17/39/383091739.db2.gz PMAMHBLMLIBJJY-AVGNSLFASA-N 2 0 265.376 2.636 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000423426461 383091985 /nfs/dbraw/zinc/09/19/85/383091985.db2.gz PIAPXLIFHDWOSU-OVYGPGRDSA-N 2 0 292.467 2.689 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cn1 ZINC000423426381 383091996 /nfs/dbraw/zinc/09/19/96/383091996.db2.gz HRZIVIFXPRKYQY-DGCLKSJQSA-N 2 0 253.365 2.779 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)oc1C ZINC000423427051 383092039 /nfs/dbraw/zinc/09/20/39/383092039.db2.gz FOECRXWDDHPRBK-BYCMXARLSA-N 2 0 262.397 2.935 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423432090 383093676 /nfs/dbraw/zinc/09/36/76/383093676.db2.gz QPOWSIHOSIVQJB-ZNMIVQPWSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423431243 383094138 /nfs/dbraw/zinc/09/41/38/383094138.db2.gz IOIAMLPSHNYRTO-DIOULYMOSA-N 2 0 262.372 2.864 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422807859 532971449 /nfs/dbraw/zinc/97/14/49/532971449.db2.gz NMPCGGSMAXDNQK-SNVBAGLBSA-N 2 0 256.390 2.765 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000423444757 383098979 /nfs/dbraw/zinc/09/89/79/383098979.db2.gz XFGUUEIBEGSLDB-XHDPSFHLSA-N 2 0 265.376 2.779 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449517 383099908 /nfs/dbraw/zinc/09/99/08/383099908.db2.gz WOCANLPSMHVYNU-YVSFHVDLSA-N 2 0 294.483 2.804 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449913 383100119 /nfs/dbraw/zinc/10/01/19/383100119.db2.gz WXOOQRHJWFIFFZ-VIBAHUMZSA-N 2 0 288.435 2.740 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422806455 532971585 /nfs/dbraw/zinc/97/15/85/532971585.db2.gz KTWLCEUIZIPTRU-ZJUUUORDSA-N 2 0 256.390 2.763 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1OC ZINC000423455611 383102115 /nfs/dbraw/zinc/10/21/15/383102115.db2.gz CTHURCWTIXDUDB-MROQNXINSA-N 2 0 280.412 2.521 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423461161 383104151 /nfs/dbraw/zinc/10/41/51/383104151.db2.gz SOCHFGLOHBHPDK-TZMCWYRMSA-N 2 0 264.417 2.748 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423461438 383104172 /nfs/dbraw/zinc/10/41/72/383104172.db2.gz CNBGWJOHOVIIPP-YUTCNCBUSA-N 2 0 265.376 2.779 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423461876 383104229 /nfs/dbraw/zinc/10/42/29/383104229.db2.gz CYBICGVVIMGMBU-GMXVVIOVSA-N 2 0 296.436 2.703 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423461558 383104468 /nfs/dbraw/zinc/10/44/68/383104468.db2.gz JUJUTWGCUMZVRN-XHSDSOJGSA-N 2 0 276.424 2.697 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423464854 383106384 /nfs/dbraw/zinc/10/63/84/383106384.db2.gz RGPFTEUUDHZZCW-IOASZLSFSA-N 2 0 274.408 2.790 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000423468164 383106940 /nfs/dbraw/zinc/10/69/40/383106940.db2.gz JMJDGPUFCCTWCJ-FFSVYQOJSA-N 2 0 298.377 2.759 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000423470613 383108285 /nfs/dbraw/zinc/10/82/85/383108285.db2.gz LMGAIMIODOIUTG-SGMGOOAPSA-N 2 0 278.396 2.569 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247115697 383144889 /nfs/dbraw/zinc/14/48/89/383144889.db2.gz UEERETGLDYSLDS-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000423473910 383109662 /nfs/dbraw/zinc/10/96/62/383109662.db2.gz GYOAXEPPJYTGLW-UKRRQHHQSA-N 2 0 290.407 2.641 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423474400 383110775 /nfs/dbraw/zinc/11/07/75/383110775.db2.gz HHCLAKQVJFKUJZ-SUMWQHHRSA-N 2 0 274.408 2.900 20 0 CFADRP c1cncc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246857906 383113310 /nfs/dbraw/zinc/11/33/10/383113310.db2.gz PMKCFRLELARKLE-FUHWJXTLSA-N 2 0 285.435 2.573 20 0 CFADRP C[C@@H]1C[C@@H](NC[C@H](C2CCCCC2)[NH+](C)C)CC[N@@H+]1C ZINC000246867484 383115016 /nfs/dbraw/zinc/11/50/16/383115016.db2.gz DFZNPADUUZNZCQ-HYVNUMGLSA-N 2 0 281.488 2.569 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423486408 383116949 /nfs/dbraw/zinc/11/69/49/383116949.db2.gz SQGRBORCUOFBDJ-XJKSGUPXSA-N 2 0 292.398 2.943 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423486407 383117051 /nfs/dbraw/zinc/11/70/51/383117051.db2.gz SQGRBORCUOFBDJ-CZUORRHYSA-N 2 0 292.398 2.943 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000246901731 383119170 /nfs/dbraw/zinc/11/91/70/383119170.db2.gz FJEKRXOBWAJAFI-QLFBSQMISA-N 2 0 280.412 2.820 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449097007 383173232 /nfs/dbraw/zinc/17/32/32/383173232.db2.gz BNNGBZLMWRCCPA-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000517246964 383173401 /nfs/dbraw/zinc/17/34/01/383173401.db2.gz FQRDMYUPHLJBOK-KBPBESRZSA-N 2 0 261.413 2.527 20 0 CFADRP C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449095604 383173729 /nfs/dbraw/zinc/17/37/29/383173729.db2.gz ZWPQRKGVKZLQEU-CYBMUJFWSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424083427 383176763 /nfs/dbraw/zinc/17/67/63/383176763.db2.gz XKFHFARDGKGWEJ-NVXWUHKLSA-N 2 0 297.487 2.554 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000517356039 383178217 /nfs/dbraw/zinc/17/82/17/383178217.db2.gz BLDFPCSHXZXCJL-DAXOMENPSA-N 2 0 295.858 2.530 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC12CCCCC2 ZINC000449123739 383180252 /nfs/dbraw/zinc/18/02/52/383180252.db2.gz ONQWDFHUVNDUSU-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)O1 ZINC000449178333 383182063 /nfs/dbraw/zinc/18/20/63/383182063.db2.gz SHHLMTLFYIVENH-JKIFEVAISA-N 2 0 280.456 2.939 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000449186079 383182358 /nfs/dbraw/zinc/18/23/58/383182358.db2.gz HGLJNIFVHPUKCG-QKGUJMCYSA-N 2 0 294.483 2.779 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449227026 383185018 /nfs/dbraw/zinc/18/50/18/383185018.db2.gz ZKPFKUPVLFQNSS-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCF)C1 ZINC000248128316 383213330 /nfs/dbraw/zinc/21/33/30/383213330.db2.gz OELPQHIMNGOQRY-GJZGRUSLSA-N 2 0 256.409 2.932 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000566610348 383193622 /nfs/dbraw/zinc/19/36/22/383193622.db2.gz DJWZRWARMYTUOE-WMZOPIPTSA-N 2 0 288.435 2.758 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3ccccc3)CC[C@H]21 ZINC000248140998 383213826 /nfs/dbraw/zinc/21/38/26/383213826.db2.gz PPQSWZGPKZNZLO-SJLPKXTDSA-N 2 0 288.435 2.872 20 0 CFADRP CCCc1nc(C)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)o1 ZINC000339436460 383197552 /nfs/dbraw/zinc/19/75/52/383197552.db2.gz CHMNPTMBRNVQOT-QGZVFWFLSA-N 2 0 291.439 2.853 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC3CCOCC3)C2)C1 ZINC000339439927 383198028 /nfs/dbraw/zinc/19/80/28/383198028.db2.gz UTLMPNSRRBXKHM-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCC2)[C@H](C)C1 ZINC000247936772 383200212 /nfs/dbraw/zinc/20/02/12/383200212.db2.gz CPRDGJRZUJDKCG-INMHGKMJSA-N 2 0 282.472 2.902 20 0 CFADRP COc1cc(F)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000449286565 383201277 /nfs/dbraw/zinc/20/12/77/383201277.db2.gz IAJZFKYMVIZDPE-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP COCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158891868 285009041 /nfs/dbraw/zinc/00/90/41/285009041.db2.gz WOFAZDZIKXQMEE-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP [NH3+]CC1(Cc2nc(C3([NH3+])CCCCC3)no2)CCCCC1 ZINC000424348864 383204811 /nfs/dbraw/zinc/20/48/11/383204811.db2.gz UUTZKJOOIYVUBH-UHFFFAOYSA-N 2 0 292.427 2.639 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC1([NH3+])CCCCC1 ZINC000518753830 383206952 /nfs/dbraw/zinc/20/69/52/383206952.db2.gz MUYCVDUESOBDPC-CYBMUJFWSA-N 2 0 250.386 2.852 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449035953 383147596 /nfs/dbraw/zinc/14/75/96/383147596.db2.gz QVEAJGXWISGRLC-CYBMUJFWSA-N 2 0 258.365 2.816 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000247205299 383152908 /nfs/dbraw/zinc/15/29/08/383152908.db2.gz WPSDFMQEIXNXRC-WBMJQRKESA-N 2 0 262.372 2.744 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000519350436 383211554 /nfs/dbraw/zinc/21/15/54/383211554.db2.gz ISLUOMGGYPKSNM-DOMZBBRYSA-N 2 0 279.428 2.734 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449078740 383164192 /nfs/dbraw/zinc/16/41/92/383164192.db2.gz MVUWLFAZERSLHF-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)C1CCC1 ZINC000449080744 383166441 /nfs/dbraw/zinc/16/64/41/383166441.db2.gz YVVPCUGKLGABPC-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@H](C)O1 ZINC000449084241 383167518 /nfs/dbraw/zinc/16/75/18/383167518.db2.gz XDSDSNHAQGIHMP-OWCLPIDISA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000449084633 383167768 /nfs/dbraw/zinc/16/77/68/383167768.db2.gz YLXFHRXPWLEDTM-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ncc(C)s2)[C@H](C)C1 ZINC000248528857 383253714 /nfs/dbraw/zinc/25/37/14/383253714.db2.gz WJGWOOKTXPLLMD-SCRDCRAPSA-N 2 0 281.469 2.875 20 0 CFADRP CO[C@@H](C)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000567395911 383271306 /nfs/dbraw/zinc/27/13/06/383271306.db2.gz JUAMGNBOBMGUHE-AWEZNQCLSA-N 2 0 276.424 2.578 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC000567442927 383274391 /nfs/dbraw/zinc/27/43/91/383274391.db2.gz CKQBXPUADGDGJX-KFWWJZLASA-N 2 0 250.430 2.696 20 0 CFADRP CC(C)OC(=O)C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000248630579 383275227 /nfs/dbraw/zinc/27/52/27/383275227.db2.gz QNFOKYIZZNRKJB-HZPDHXFCSA-N 2 0 296.455 2.524 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000566833301 383215879 /nfs/dbraw/zinc/21/58/79/383215879.db2.gz WPBJQZZTEQGTFE-UKRRQHHQSA-N 2 0 264.438 2.707 20 0 CFADRP Cc1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339499604 383217407 /nfs/dbraw/zinc/21/74/07/383217407.db2.gz QKUYSOPWLFOLRB-UHFFFAOYSA-N 2 0 267.442 2.807 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000566850588 383217834 /nfs/dbraw/zinc/21/78/34/383217834.db2.gz JHFAXXCPTIPISL-CRAIPNDOSA-N 2 0 290.451 2.613 20 0 CFADRP C(CC[NH2+][C@@H]1CCCSC1)CC[NH+]1CCCC1 ZINC000339501388 383219764 /nfs/dbraw/zinc/21/97/64/383219764.db2.gz WKNRKXAHEPBVQI-CQSZACIVSA-N 2 0 256.459 2.738 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566909007 383224390 /nfs/dbraw/zinc/22/43/90/383224390.db2.gz XHAXDDPDPRKODY-UMSGYPCISA-N 2 0 276.371 2.515 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]CCCN1CCC1 ZINC000566924689 383225441 /nfs/dbraw/zinc/22/54/41/383225441.db2.gz SOOIAIFYJKLYFR-UHFFFAOYSA-N 2 0 263.429 2.720 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCSCC(C)C)C1 ZINC000339515871 383227463 /nfs/dbraw/zinc/22/74/63/383227463.db2.gz UNRSJFVQIJEJIC-ZIAGYGMSSA-N 2 0 258.475 2.696 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000519595436 383228982 /nfs/dbraw/zinc/22/89/82/383228982.db2.gz FMTUVBHEGILRNH-QWHCGFSZSA-N 2 0 250.386 2.691 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1Cc2ccccc2C1 ZINC000422984968 532975153 /nfs/dbraw/zinc/97/51/53/532975153.db2.gz ZTPRYBPUHSQNJN-FOIQADDNSA-N 2 0 294.442 2.950 20 0 CFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000567074052 383239093 /nfs/dbraw/zinc/23/90/93/383239093.db2.gz FIJRIOWYEYPHGL-WMZOPIPTSA-N 2 0 290.451 2.617 20 0 CFADRP CN(C)c1cc[nH+]cc1CNc1cc2c(c[nH+]1)CCC2 ZINC000339552621 383239825 /nfs/dbraw/zinc/23/98/25/383239825.db2.gz DCOZKAJVHHINNF-UHFFFAOYSA-N 2 0 268.364 2.643 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000519865110 383242838 /nfs/dbraw/zinc/24/28/38/383242838.db2.gz CVDWXQGCYRHMGG-RDJZCZTQSA-N 2 0 275.440 2.724 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000249107930 383328145 /nfs/dbraw/zinc/32/81/45/383328145.db2.gz QSDVOYDZOSPMOO-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732519 383334430 /nfs/dbraw/zinc/33/44/30/383334430.db2.gz IJGFDOOXPMNYHJ-HNNXBMFYSA-N 2 0 275.440 2.620 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732747 383335075 /nfs/dbraw/zinc/33/50/75/383335075.db2.gz NVFKJHBJITWCRD-HNNXBMFYSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1n1ccnc1 ZINC000249400666 383343828 /nfs/dbraw/zinc/34/38/28/383343828.db2.gz SRBARAZSXLVZCC-IAGOWNOFSA-N 2 0 290.455 2.642 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449427801 383288119 /nfs/dbraw/zinc/28/81/19/383288119.db2.gz PLTXTWOLMDKKCD-CIRFHOKZSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000449436097 383292890 /nfs/dbraw/zinc/29/28/90/383292890.db2.gz CWYKTYISVINREW-USXIJHARSA-N 2 0 280.456 2.798 20 0 CFADRP CCCN(CC[C@@H]1CCC[N@@H+]1C)[C@H](CC)C(=O)OCC ZINC000248814893 383293169 /nfs/dbraw/zinc/29/31/69/383293169.db2.gz UEMVKOGOTLRNRM-LSDHHAIUSA-N 2 0 284.444 2.524 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000459726705 383294978 /nfs/dbraw/zinc/29/49/78/383294978.db2.gz GPINZUREYLFRPJ-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC([NH+](C)C)C2)C1 ZINC000521461228 383297880 /nfs/dbraw/zinc/29/78/80/383297880.db2.gz ZGQJRRVQLYLKKY-DVHLICQRSA-N 2 0 287.451 2.504 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OC)cc2F)C1 ZINC000568030769 383347091 /nfs/dbraw/zinc/34/70/91/383347091.db2.gz DJNIYLOGZZBFGG-CYBMUJFWSA-N 2 0 280.387 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCCO2)[C@H](C)C1 ZINC000248852400 383298677 /nfs/dbraw/zinc/29/86/77/383298677.db2.gz BQDLDQLNPOSTQA-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000567646851 383298790 /nfs/dbraw/zinc/29/87/90/383298790.db2.gz FGUJXZFRGHCMTB-HFLCMSJXSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H](C[NH2+]C[C@@H](O)CC1CCCC1)C[NH+]1CCCCC1 ZINC000567678510 383300682 /nfs/dbraw/zinc/30/06/82/383300682.db2.gz UZSBEIVHMHBRTR-WBVHZDCISA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248880252 383301391 /nfs/dbraw/zinc/30/13/91/383301391.db2.gz KLYRCTOFKWHUPC-MKXAEBJUSA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)[NH2+]CCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000248888775 383304351 /nfs/dbraw/zinc/30/43/51/383304351.db2.gz ANWCDCBKVUHABV-IRXDYDNUSA-N 2 0 281.488 2.571 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(CC)c1 ZINC000568033731 383347542 /nfs/dbraw/zinc/34/75/42/383347542.db2.gz XPYHTHMWNNZJCZ-QGZVFWFLSA-N 2 0 278.440 2.695 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000634678186 383307246 /nfs/dbraw/zinc/30/72/46/383307246.db2.gz LICIRZJEQRZRBM-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634680935 383311291 /nfs/dbraw/zinc/31/12/91/383311291.db2.gz FJPRNJFZPJRUQE-NRXISQOPSA-N 2 0 268.445 2.654 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000634684832 383315351 /nfs/dbraw/zinc/31/53/51/383315351.db2.gz ANECZYUDDRQCRY-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCSCC1CC[NH2+]CC1 ZINC000567811265 383318709 /nfs/dbraw/zinc/31/87/09/383318709.db2.gz ZZLASWSPUDBFJJ-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634687639 383318855 /nfs/dbraw/zinc/31/88/55/383318855.db2.gz SQGCLPOKNWWAJZ-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3ncccc23)C[C@H]1C[NH3+] ZINC000634688062 383320185 /nfs/dbraw/zinc/32/01/85/383320185.db2.gz GYPVDKBFYCUWBD-DZGCQCFKSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249042459 383320244 /nfs/dbraw/zinc/32/02/44/383320244.db2.gz VEVUKNBHVVYIAI-XYTVBORESA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340269153 383397117 /nfs/dbraw/zinc/39/71/17/383397117.db2.gz RWVZORYBZVMINX-INIZCTEOSA-N 2 0 294.483 2.924 20 0 CFADRP CCc1ccc2[nH+]ccc(NCC3=CC[N@H+](C)CC3)c2c1 ZINC000450428635 383406362 /nfs/dbraw/zinc/40/63/62/383406362.db2.gz WWSVJGQPHKAVMF-UHFFFAOYSA-N 2 0 281.403 2.893 20 0 CFADRP c1ccc2cc(OCCC[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000479746763 383412752 /nfs/dbraw/zinc/41/27/52/383412752.db2.gz BRRNLPPNWUMVIK-HDICACEKSA-N 2 0 296.414 2.760 20 0 CFADRP Cc1[nH+]c2ccccc2c(N[C@@H](C)C[C@H](C)[NH3+])c1C ZINC000568089217 383357322 /nfs/dbraw/zinc/35/73/22/383357322.db2.gz MMVMHZVOXIFDDB-QWRGUYRKSA-N 2 0 257.381 2.811 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000250001548 383369152 /nfs/dbraw/zinc/36/91/52/383369152.db2.gz OTLMVAIHUQNDRN-BZUAXINKSA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340180596 383371288 /nfs/dbraw/zinc/37/12/88/383371288.db2.gz HPKFCZTTXMMQAJ-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340185220 383372890 /nfs/dbraw/zinc/37/28/90/383372890.db2.gz JCBUHGBDONMQCG-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP C(CC[NH+]1CCOCC1)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000340184687 383373253 /nfs/dbraw/zinc/37/32/53/383373253.db2.gz IHCKGNZMDMDNQH-MRXNPFEDSA-N 2 0 280.456 2.801 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000470008365 383374212 /nfs/dbraw/zinc/37/42/12/383374212.db2.gz HYFNUHFGPVILPT-LSDHHAIUSA-N 2 0 276.424 2.730 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000340186952 383374247 /nfs/dbraw/zinc/37/42/47/383374247.db2.gz ZJBPXULLRDBOMY-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCS1 ZINC000250858318 383381177 /nfs/dbraw/zinc/38/11/77/383381177.db2.gz PVGRBDOPPQEDQZ-BYNSBNAKSA-N 2 0 268.470 2.782 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568247101 383381536 /nfs/dbraw/zinc/38/15/36/383381536.db2.gz BRCLAANRSTZLBA-NFAWXSAZSA-N 2 0 260.381 2.596 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250891220 383382128 /nfs/dbraw/zinc/38/21/28/383382128.db2.gz DNMWFYPCAPVGLQ-IMJJTQAJSA-N 2 0 274.408 2.973 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc(C)c1 ZINC000480019439 383414799 /nfs/dbraw/zinc/41/47/99/383414799.db2.gz MDEUOQSMTVLFRZ-SJLPKXTDSA-N 2 0 289.467 2.751 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000251057161 383384376 /nfs/dbraw/zinc/38/43/76/383384376.db2.gz BTTUSJDTMYTYOG-BRSBDYLESA-N 2 0 293.499 2.619 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667576 383426383 /nfs/dbraw/zinc/42/63/83/383426383.db2.gz LRPAWCPRSHOGMC-CDFMYIFESA-N 2 0 256.393 2.916 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000568713818 383429298 /nfs/dbraw/zinc/42/92/98/383429298.db2.gz DNAOBUWWSWFLRS-MSOLQXFVSA-N 2 0 296.499 2.981 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](COC)CC(C)C)CC1 ZINC000481951789 383430250 /nfs/dbraw/zinc/43/02/50/383430250.db2.gz HLJHICBHYUJITJ-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000482137270 383431282 /nfs/dbraw/zinc/43/12/82/383431282.db2.gz AGTRXUGLWCYZDA-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000340475698 383434310 /nfs/dbraw/zinc/43/43/10/383434310.db2.gz NBKONRLDQYXLML-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252779093 383434737 /nfs/dbraw/zinc/43/47/37/383434737.db2.gz LMKRCRCBRFYYFO-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000340477550 383435953 /nfs/dbraw/zinc/43/59/53/383435953.db2.gz YLIHZLNPCUPTPV-OAGGEKHMSA-N 2 0 268.445 2.654 20 0 CFADRP CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252845582 383436900 /nfs/dbraw/zinc/43/69/00/383436900.db2.gz FDHSSOQENBPRFB-BPUTZDHNSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000252893144 383438456 /nfs/dbraw/zinc/43/84/56/383438456.db2.gz POKTWWVBUGHBHA-CZUORRHYSA-N 2 0 269.392 2.665 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252890917 383439028 /nfs/dbraw/zinc/43/90/28/383439028.db2.gz IYTDMEKCEBHGJD-RHSMWYFYSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000252947071 383440277 /nfs/dbraw/zinc/44/02/77/383440277.db2.gz ABOBNAIDXXTLJI-IUODEOHRSA-N 2 0 250.361 2.564 20 0 CFADRP c1cnc2cc(C[NH2+]CCCCC[NH+]3CCCC3)ccc2n1 ZINC000634982393 383440703 /nfs/dbraw/zinc/44/07/03/383440703.db2.gz KRYHSGZHKLCEQY-UHFFFAOYSA-N 2 0 298.434 2.986 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252978322 383441615 /nfs/dbraw/zinc/44/16/15/383441615.db2.gz BHKNMWDYNSBBDY-RCBQFDQVSA-N 2 0 262.372 2.693 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ncc(C)cc2C)[C@@H](C)C1 ZINC000568862508 383443755 /nfs/dbraw/zinc/44/37/55/383443755.db2.gz PUGKXGAVOIPIQB-WMZOPIPTSA-N 2 0 289.467 2.903 20 0 CFADRP Fc1cccc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)c1 ZINC000634991637 383446772 /nfs/dbraw/zinc/44/67/72/383446772.db2.gz MMBRATDJAAOFEJ-NRAUKZCXSA-N 2 0 260.356 2.715 20 0 CFADRP CN(Cc1ccc(Cl)cc1)CC12CC(C1)C[NH2+]2 ZINC000634991385 383446965 /nfs/dbraw/zinc/44/69/65/383446965.db2.gz BYWWXOOOKIXSMA-UHFFFAOYSA-N 2 0 250.773 2.524 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253185313 383447194 /nfs/dbraw/zinc/44/71/94/383447194.db2.gz IADHGNVNFQOKAA-MBNYWOFBSA-N 2 0 250.361 2.803 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1Cl ZINC000340515378 383450928 /nfs/dbraw/zinc/45/09/28/383450928.db2.gz BLJAXWCAMAPCSP-SWLSCSKDSA-N 2 0 296.842 2.821 20 0 CFADRP C[C@H](CC[NH2+][C@H](C)[C@]1(C)CCCO1)[NH+]1CCCCC1 ZINC000340518730 383453830 /nfs/dbraw/zinc/45/38/30/383453830.db2.gz UZABCHHMQJSNOL-OAGGEKHMSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998606 383453852 /nfs/dbraw/zinc/45/38/52/383453852.db2.gz IGWWFYKPHZNPER-CZUORRHYSA-N 2 0 298.434 2.516 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000484167968 383454564 /nfs/dbraw/zinc/45/45/64/383454564.db2.gz UXIDZJVCFPPLTA-NVXWUHKLSA-N 2 0 260.425 2.776 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc2cccnc12 ZINC000634999038 383454799 /nfs/dbraw/zinc/45/47/99/383454799.db2.gz PBKZGJYPTYLSEV-CZUORRHYSA-N 2 0 269.392 2.570 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000484287881 383455948 /nfs/dbraw/zinc/45/59/48/383455948.db2.gz CYYLRJGWMFPWKU-XSLAGTTESA-N 2 0 295.515 2.817 20 0 CFADRP FC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000635001946 383458939 /nfs/dbraw/zinc/45/89/39/383458939.db2.gz JNNOIWUHOHJXFG-UGQVUOCMSA-N 2 0 280.362 2.814 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002835 383459621 /nfs/dbraw/zinc/45/96/21/383459621.db2.gz AAIFGXFEIVONJU-JGVFFNPUSA-N 2 0 266.332 2.982 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003349 383459809 /nfs/dbraw/zinc/45/98/09/383459809.db2.gz CIPBALTXUDUXKH-DCAQKATOSA-N 2 0 252.324 2.825 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)s1 ZINC000635004813 383460723 /nfs/dbraw/zinc/46/07/23/383460723.db2.gz GJVOUGRJDJTUBR-GCVQQVDUSA-N 2 0 253.415 2.620 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005005 383461003 /nfs/dbraw/zinc/46/10/03/383461003.db2.gz LHMIAMUYAJVGHL-MUIFIZLQSA-N 2 0 276.424 2.870 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000569008255 383461397 /nfs/dbraw/zinc/46/13/97/383461397.db2.gz NCAWUAKEHSGBQH-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000340535468 383463663 /nfs/dbraw/zinc/46/36/63/383463663.db2.gz NOZFMKPZKVKPJH-QLFBSQMISA-N 2 0 295.427 2.523 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008820 383464068 /nfs/dbraw/zinc/46/40/68/383464068.db2.gz VQSJHAASAHTGAB-IIAWOOMASA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000635008168 383464133 /nfs/dbraw/zinc/46/41/33/383464133.db2.gz QWLIWPMKVDFGAE-KURKYZTESA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635008093 383464623 /nfs/dbraw/zinc/46/46/23/383464623.db2.gz QPJLOMIKJJUCIL-DLBZAZTESA-N 2 0 260.425 2.971 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)on1 ZINC000450569613 383464733 /nfs/dbraw/zinc/46/47/33/383464733.db2.gz PLQVYUMBSAOKFB-YOEHRIQHSA-N 2 0 293.455 2.832 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cn1 ZINC000635007763 383464797 /nfs/dbraw/zinc/46/47/97/383464797.db2.gz XUAGTHYJCDENLW-MRVWCRGKSA-N 2 0 265.376 2.779 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1(C)C ZINC000635009723 383465318 /nfs/dbraw/zinc/46/53/18/383465318.db2.gz HSZISBZJWBKUQD-MGPQQGTHSA-N 2 0 268.445 2.558 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000635009226 383465333 /nfs/dbraw/zinc/46/53/33/383465333.db2.gz XIKYIHYBBPJVTR-LSDHHAIUSA-N 2 0 261.413 2.901 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCCO[C@@H]21 ZINC000635009470 383466178 /nfs/dbraw/zinc/46/61/78/383466178.db2.gz HBNFODQTRKFOKQ-YJNKXOJESA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569121553 383470370 /nfs/dbraw/zinc/47/03/70/383470370.db2.gz HCWCAVRUIJJDBZ-IKGGRYGDSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000635024377 383474756 /nfs/dbraw/zinc/47/47/56/383474756.db2.gz XIIIZWUOWPDWQP-LSDHHAIUSA-N 2 0 255.365 2.594 20 0 CFADRP CN(CC[N@H+](C)CC12CCC(CC1)C2)C1CC[NH+](C)CC1 ZINC000450630627 383479666 /nfs/dbraw/zinc/47/96/66/383479666.db2.gz XCZKAUFLYMJMKL-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP FC1(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525996883 383419572 /nfs/dbraw/zinc/41/95/72/383419572.db2.gz QQEZZZSLDYBJNM-HNNXBMFYSA-N 2 0 262.372 2.600 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000340439136 383419768 /nfs/dbraw/zinc/41/97/68/383419768.db2.gz HTFDKUGJXFOLIK-WQVCFCJDSA-N 2 0 277.412 2.508 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCC1 ZINC000340442381 383420910 /nfs/dbraw/zinc/42/09/10/383420910.db2.gz ZMHCUKFFJMOFPY-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261729066 383549637 /nfs/dbraw/zinc/54/96/37/383549637.db2.gz JUYAXQWZYGHBHS-KRWDZBQOSA-N 2 0 276.424 2.892 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000261557453 383511919 /nfs/dbraw/zinc/51/19/19/383511919.db2.gz RRCNOIJONLBAQK-ZDUSSCGKSA-N 2 0 252.789 2.818 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3sccc3Cl)C[C@H]21 ZINC000261563253 383513778 /nfs/dbraw/zinc/51/37/78/383513778.db2.gz WWGZRLQISOMSEH-HOSYDEDBSA-N 2 0 270.829 2.961 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2ccccc2F)C1 ZINC000569591267 383516411 /nfs/dbraw/zinc/51/64/11/383516411.db2.gz ZJDMGNOMXMJGEQ-KBPBESRZSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000261576171 383517372 /nfs/dbraw/zinc/51/73/72/383517372.db2.gz BZDMVAZVYLYFEV-GWCFXTLKSA-N 2 0 272.314 2.793 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@H](C)[C@@H]1OC ZINC000429312665 383518702 /nfs/dbraw/zinc/51/87/02/383518702.db2.gz CDCZFKCTDIEOMA-JONQDZQNSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1cccc(Cl)c1 ZINC000261584492 383521426 /nfs/dbraw/zinc/52/14/26/383521426.db2.gz SJPLOQKBGGCUOX-AWEZNQCLSA-N 2 0 270.804 2.682 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429363195 383523137 /nfs/dbraw/zinc/52/31/37/383523137.db2.gz PNKPOSMMCKUDIG-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429400974 383527442 /nfs/dbraw/zinc/52/74/42/383527442.db2.gz FBQOUZXOSSNEPL-IRXDYDNUSA-N 2 0 293.499 2.667 20 0 CFADRP CCc1nc(C)c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000261609130 383528129 /nfs/dbraw/zinc/52/81/29/383528129.db2.gz DPAGFVLEXCLKEC-QLFBSQMISA-N 2 0 291.439 2.946 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1CC(C)(C)C1 ZINC000528423563 383529368 /nfs/dbraw/zinc/52/93/68/383529368.db2.gz VTOFFZLYUNUKDI-OWCLPIDISA-N 2 0 280.456 2.606 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000261618457 383529813 /nfs/dbraw/zinc/52/98/13/383529813.db2.gz BYLRAZKGJZPTTK-OAHLLOKOSA-N 2 0 262.328 2.743 20 0 CFADRP COCCSCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000488428522 383536786 /nfs/dbraw/zinc/53/67/86/383536786.db2.gz BKEIHEZCLCHHJJ-OAHLLOKOSA-N 2 0 288.501 2.562 20 0 CFADRP CC(C)C1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000488434542 383537470 /nfs/dbraw/zinc/53/74/70/383537470.db2.gz PQUAKXCXNKSLIX-UHFFFAOYSA-N 2 0 250.430 2.885 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)CCC1 ZINC000429521331 383539319 /nfs/dbraw/zinc/53/93/19/383539319.db2.gz ZNTLBBDITYXGGG-CQSZACIVSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])NCc1ccc2ccccc2n1 ZINC000261669942 383540575 /nfs/dbraw/zinc/54/05/75/383540575.db2.gz ZXHZVWGAXUEZDC-MRXNPFEDSA-N 2 0 257.381 2.698 20 0 CFADRP CCn1c(CN[C@H](C[NH3+])C2CCCC2)nc2ccccc21 ZINC000569816175 383540647 /nfs/dbraw/zinc/54/06/47/383540647.db2.gz VBYGBVYDBASZJA-OAHLLOKOSA-N 2 0 286.423 2.663 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000569835985 383541509 /nfs/dbraw/zinc/54/15/09/383541509.db2.gz QEGGZKXZRPAOGK-CYBMUJFWSA-N 2 0 260.381 2.574 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488452820 383543949 /nfs/dbraw/zinc/54/39/49/383543949.db2.gz YLECCINGDJUZFE-CABCVRRESA-N 2 0 270.486 2.981 20 0 CFADRP CO[C@H](Cc1ccccc1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000450905792 383544268 /nfs/dbraw/zinc/54/42/68/383544268.db2.gz OVZZDPQRXMMLMG-GOSISDBHSA-N 2 0 290.451 2.662 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000429833904 383572672 /nfs/dbraw/zinc/57/26/72/383572672.db2.gz VJHPQLGWJNBJQG-QZTJIDSGSA-N 2 0 287.451 2.739 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000570162048 383578380 /nfs/dbraw/zinc/57/83/80/383578380.db2.gz DUQKIPLPCROVDC-YUMQZZPRSA-N 2 0 266.332 2.982 20 0 CFADRP Cn1cc(-c2ccc(C[N@H+](C)CC(C)(C)C[NH3+])s2)cn1 ZINC000261921732 383580682 /nfs/dbraw/zinc/58/06/82/383580682.db2.gz KNRTYKPHKXUIFA-UHFFFAOYSA-N 2 0 292.452 2.565 20 0 CFADRP FC(F)COc1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261941865 383583274 /nfs/dbraw/zinc/58/32/74/383583274.db2.gz DUMFRWGRIYLMFO-INIZCTEOSA-N 2 0 296.361 2.516 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261947645 383584073 /nfs/dbraw/zinc/58/40/73/383584073.db2.gz NLLLEMGQCANVSH-SFHVURJKSA-N 2 0 298.434 2.566 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261947692 383584146 /nfs/dbraw/zinc/58/41/46/383584146.db2.gz NMLKMECIXPRZQX-SZMVWBNQSA-N 2 0 288.435 2.817 20 0 CFADRP [NH3+]CC[C@@H]1CCCN(Cc2ncc(C(F)(F)F)s2)C1 ZINC000261949760 383584581 /nfs/dbraw/zinc/58/45/81/383584581.db2.gz NUCATRDZKBLWHB-VIFPVBQESA-N 2 0 293.358 2.723 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261956193 383586028 /nfs/dbraw/zinc/58/60/28/383586028.db2.gz ORAKALIAEYEEBX-CYBMUJFWSA-N 2 0 264.388 2.949 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261981916 383589448 /nfs/dbraw/zinc/58/94/48/383589448.db2.gz JIFPXWWKRSFTDU-IAGOWNOFSA-N 2 0 276.399 2.789 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cc2s1 ZINC000261999452 383592756 /nfs/dbraw/zinc/59/27/56/383592756.db2.gz TZCCXFKJUPLIHU-HNNXBMFYSA-N 2 0 275.421 2.775 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000262005210 383593487 /nfs/dbraw/zinc/59/34/87/383593487.db2.gz UNPWWJXSIUUKIJ-OAHLLOKOSA-N 2 0 278.465 2.981 20 0 CFADRP CCCc1csc(C[NH+]2CCC(C[NH2+]C)CC2)n1 ZINC000262004982 383593505 /nfs/dbraw/zinc/59/35/05/383593505.db2.gz ULCOVJWTUZHNKI-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP C[C@H](C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000262013855 383594372 /nfs/dbraw/zinc/59/43/72/383594372.db2.gz VJYWOIJVPZGVOL-UPJWGTAASA-N 2 0 250.361 2.598 20 0 CFADRP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262014919 383594531 /nfs/dbraw/zinc/59/45/31/383594531.db2.gz MPLHWQVEAFWNJE-KLZNWCGWSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262012464 383594732 /nfs/dbraw/zinc/59/47/32/383594732.db2.gz VFZJOHLMCFHRNX-INIZCTEOSA-N 2 0 298.434 2.742 20 0 CFADRP Cc1nc2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cc2s1 ZINC000262013880 383595191 /nfs/dbraw/zinc/59/51/91/383595191.db2.gz VKGDXPAGFOQDGY-MFKMUULPSA-N 2 0 275.421 2.774 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000430723771 383597505 /nfs/dbraw/zinc/59/75/05/383597505.db2.gz PHSCEEXZIWXLMB-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CCn1nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC000262060630 383601609 /nfs/dbraw/zinc/60/16/09/383601609.db2.gz DVRQNQZGZYTYIL-IMJJTQAJSA-N 2 0 298.434 2.615 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000430921189 383612573 /nfs/dbraw/zinc/61/25/73/383612573.db2.gz XLONXDWMRWCSLW-HNNXBMFYSA-N 2 0 290.451 2.904 20 0 CFADRP C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@H]1[NH3+] ZINC000262104862 383605315 /nfs/dbraw/zinc/60/53/15/383605315.db2.gz VWAZSUDQOLPXQW-IAQYHMDHSA-N 2 0 274.339 2.865 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000570462292 383606497 /nfs/dbraw/zinc/60/64/97/383606497.db2.gz CRPYDUCVCBBKIS-SRMUXQRQSA-N 2 0 280.387 2.761 20 0 CFADRP COc1ccc(Cl)c(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000262127943 383607240 /nfs/dbraw/zinc/60/72/40/383607240.db2.gz NIAXRIQDCAVVEI-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP COc1ccc(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000262133231 383608792 /nfs/dbraw/zinc/60/87/92/383608792.db2.gz YKKYWOLCBROSJC-GOSISDBHSA-N 2 0 288.435 2.874 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCSCc3ccccc3)C[C@H]21 ZINC000261753430 383553366 /nfs/dbraw/zinc/55/33/66/383553366.db2.gz CHMUCZXYQUAACI-GVDBMIGSSA-N 2 0 290.476 2.979 20 0 CFADRP COCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000261761728 383555773 /nfs/dbraw/zinc/55/57/73/383555773.db2.gz LLWFFSGEVXUWQT-DOTOQJQBSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCCC[C@H]2c2ccncc2)CC[NH2+]C1 ZINC000261765725 383555970 /nfs/dbraw/zinc/55/59/70/383555970.db2.gz LYLLMNMQEYJPEO-DLBZAZTESA-N 2 0 273.424 2.998 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423161749 532995445 /nfs/dbraw/zinc/99/54/45/532995445.db2.gz JNJSIMNCRNSXJY-ZCPGHIKRSA-N 2 0 258.409 2.581 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261770147 383557163 /nfs/dbraw/zinc/55/71/63/383557163.db2.gz DOJSRDFTXRFWGF-KBAYOESNSA-N 2 0 272.436 2.939 20 0 CFADRP CCCc1csc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000261780322 383559485 /nfs/dbraw/zinc/55/94/85/383559485.db2.gz FKDMDWMKISDGGI-NSHDSACASA-N 2 0 267.442 2.655 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCSCC1 ZINC000422726353 532992909 /nfs/dbraw/zinc/99/29/09/532992909.db2.gz DRMYPIGAIYLUBK-CJNGLKHVSA-N 2 0 278.465 2.678 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H](C)C[C@H](C)[NH3+])s1 ZINC000570832298 383640884 /nfs/dbraw/zinc/64/08/84/383640884.db2.gz FNRMFKJUUIIKDN-WDEREUQCSA-N 2 0 255.431 2.557 20 0 CFADRP C[C@H](CC1CCCCC1)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489965188 383645743 /nfs/dbraw/zinc/64/57/43/383645743.db2.gz LJFPIGGIZSVADD-SJLPKXTDSA-N 2 0 293.499 2.572 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C1CC1 ZINC000570919161 383647112 /nfs/dbraw/zinc/64/71/12/383647112.db2.gz DATDKTIQZNLQNL-GDBMZVCRSA-N 2 0 269.392 2.872 20 0 CFADRP CO[C@@H]1CC[N@H+](C[C@@H]2CCCCN2C(C)C)C[C@@H]1C ZINC000451576835 383650953 /nfs/dbraw/zinc/65/09/53/383650953.db2.gz UTWRMBHWVPSHAR-HRCADAONSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000570955857 383651344 /nfs/dbraw/zinc/65/13/44/383651344.db2.gz JEQOQQSGIJJDQF-LBPRGKRZSA-N 2 0 297.830 2.598 20 0 CFADRP C[C@]1(c2ccccc2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262295976 383615232 /nfs/dbraw/zinc/61/52/32/383615232.db2.gz WTQAAVPNVALRGY-KRWDZBQOSA-N 2 0 258.409 2.650 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430948087 383615552 /nfs/dbraw/zinc/61/55/52/383615552.db2.gz DMCYPPQZRNITRE-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@H+](CC2CC2)C2CCCCC2)n1 ZINC000431067520 383627060 /nfs/dbraw/zinc/62/70/60/383627060.db2.gz PZVLEUGWZNHCEJ-UHFFFAOYSA-N 2 0 292.427 2.808 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000431087828 383629377 /nfs/dbraw/zinc/62/93/77/383629377.db2.gz CBZALGHTKDOPOP-RYUDHWBXSA-N 2 0 294.443 2.958 20 0 CFADRP C[N@H+](CCC[C@H]1CCOC1)CC[C@H]1CCCC[NH+]1C ZINC000645808467 383755164 /nfs/dbraw/zinc/75/51/64/383755164.db2.gz QCHRSVJQNADXLU-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)C1 ZINC000572257161 383767593 /nfs/dbraw/zinc/76/75/93/383767593.db2.gz FWKYVMUWBRYWJD-GHMZBOCLSA-N 2 0 272.314 2.506 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)Cc1cnccn1)C(C)C ZINC000453121238 383774209 /nfs/dbraw/zinc/77/42/09/383774209.db2.gz OEMUQHPQUSTDCR-HNNXBMFYSA-N 2 0 278.444 2.506 20 0 CFADRP C[C@H](Nc1nc2ccc(F)cc2n1C)C(C)(C)C[NH+](C)C ZINC000431419125 383670278 /nfs/dbraw/zinc/67/02/78/383670278.db2.gz FXAVDBUNRAUKMJ-NSHDSACASA-N 2 0 292.402 2.523 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)CN(C)CC ZINC000571175748 383671013 /nfs/dbraw/zinc/67/10/13/383671013.db2.gz LZSIUDWPVSLVPI-ROUUACIJSA-N 2 0 292.467 2.642 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000640016058 383673078 /nfs/dbraw/zinc/67/30/78/383673078.db2.gz RCLIMNVWWNBTAS-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000640015509 383673151 /nfs/dbraw/zinc/67/31/51/383673151.db2.gz LGGMQDDDMGXVFM-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP COc1cccc(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532115 383818071 /nfs/dbraw/zinc/81/80/71/383818071.db2.gz WVFPEORMQVIBKM-UHFFFAOYSA-N 2 0 291.439 2.788 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1ccncc1 ZINC000640531187 383818191 /nfs/dbraw/zinc/81/81/91/383818191.db2.gz HIKYFJOYKWADQC-UHFFFAOYSA-N 2 0 275.440 2.822 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cncc(F)c1 ZINC000640533474 383819733 /nfs/dbraw/zinc/81/97/33/383819733.db2.gz SKNUTWHNXDRJGE-UHFFFAOYSA-N 2 0 279.403 2.919 20 0 CFADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533079 383820148 /nfs/dbraw/zinc/82/01/48/383820148.db2.gz BXUNGKIWQVYDAQ-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH2+]CCC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000435885223 383781294 /nfs/dbraw/zinc/78/12/94/383781294.db2.gz HFRYPFQFEVUULS-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc2s1 ZINC000572842210 383826036 /nfs/dbraw/zinc/82/60/36/383826036.db2.gz WGXFRACOBHPVJE-NXEZZACHSA-N 2 0 263.410 2.820 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CC3=CCCC3)CC2)CC1 ZINC000645929105 383798985 /nfs/dbraw/zinc/79/89/85/383798985.db2.gz QCBTXOBCQREEHQ-UHFFFAOYSA-N 2 0 291.483 2.589 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000572951335 383844154 /nfs/dbraw/zinc/84/41/54/383844154.db2.gz DZLLDQWJWCNCHH-LXZKKBNFSA-N 2 0 290.476 2.995 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019051 195071255 /nfs/dbraw/zinc/07/12/55/195071255.db2.gz ZENJGYVFGKSWLX-UHFFFAOYSA-N 2 0 288.435 2.628 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000646083880 383856694 /nfs/dbraw/zinc/85/66/94/383856694.db2.gz HURDKGCZCLNENQ-INIZCTEOSA-N 2 0 282.472 2.661 20 0 CFADRP CCc1cnc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000453593062 383862765 /nfs/dbraw/zinc/86/27/65/383862765.db2.gz GDDCRMDVBCEMBY-UHFFFAOYSA-N 2 0 267.442 2.670 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cc1OC ZINC000453594464 383864701 /nfs/dbraw/zinc/86/47/01/383864701.db2.gz BYKZIWMCSYLGKE-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000453596411 383865944 /nfs/dbraw/zinc/86/59/44/383865944.db2.gz LCJJBSXHZPNFTL-UHFFFAOYSA-N 2 0 290.455 2.738 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453598559 383867283 /nfs/dbraw/zinc/86/72/83/383867283.db2.gz PQNBRJSHVSZVNK-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCCC[N@@H+](C)C2CC2)s1 ZINC000453599460 383867968 /nfs/dbraw/zinc/86/79/68/383867968.db2.gz RHSQAGHFDXQGCH-UHFFFAOYSA-N 2 0 267.442 2.724 20 0 CFADRP C[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000646106685 383874835 /nfs/dbraw/zinc/87/48/35/383874835.db2.gz LTLCCUZNWILFIR-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000646105680 383875165 /nfs/dbraw/zinc/87/51/65/383875165.db2.gz CHOUMZKLPLTPRB-UHFFFAOYSA-N 2 0 288.435 2.600 20 0 CFADRP O[C@@H](C[NH2+][C@@H](CC1CC1)c1ccccc1)C[NH+]1CCCC1 ZINC000531701956 383907908 /nfs/dbraw/zinc/90/79/08/383907908.db2.gz RCCOACQONOLKCY-ROUUACIJSA-N 2 0 288.435 2.574 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000437776244 383908987 /nfs/dbraw/zinc/90/89/87/383908987.db2.gz OUFPZYBOKCLGNZ-OCCSQVGLSA-N 2 0 252.789 2.915 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1SC ZINC000422878161 533018429 /nfs/dbraw/zinc/01/84/29/533018429.db2.gz SOUOEPUBWFFUKN-AWEZNQCLSA-N 2 0 282.453 2.560 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(C2CC2)s1 ZINC000573434379 383928677 /nfs/dbraw/zinc/92/86/77/383928677.db2.gz USWGUDSHLIQYNY-SMDDNHRTSA-N 2 0 279.453 2.793 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1oc2ccccc2c1C ZINC000422748259 533019400 /nfs/dbraw/zinc/01/94/00/533019400.db2.gz SUQREAYGHVDTBW-ZDUSSCGKSA-N 2 0 276.380 2.585 20 0 CFADRP COC1CCC(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000573234819 383895154 /nfs/dbraw/zinc/89/51/54/383895154.db2.gz ALHORJIZDLMMJL-JWMHWRSXSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000422841684 533022497 /nfs/dbraw/zinc/02/24/97/533022497.db2.gz WOMZMNUGMPWQGH-GDZNZVCISA-N 2 0 294.414 2.793 20 0 CFADRP C[NH+](C)CCCC[NH2+]CCSCc1ccccc1 ZINC000281085489 195097750 /nfs/dbraw/zinc/09/77/50/195097750.db2.gz JTTPIYRFJXCONK-UHFFFAOYSA-N 2 0 266.454 2.851 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCCn1ccnc1 ZINC000532194978 383988990 /nfs/dbraw/zinc/98/89/90/383988990.db2.gz UDTJKWUIDIBXIE-INIZCTEOSA-N 2 0 285.391 2.949 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000532215469 383993949 /nfs/dbraw/zinc/99/39/49/383993949.db2.gz SLVNXWBUDHIVSP-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000531970881 383947862 /nfs/dbraw/zinc/94/78/62/383947862.db2.gz TTYCJGRECFELBW-KGLIPLIRSA-N 2 0 274.408 2.709 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000573555596 383948173 /nfs/dbraw/zinc/94/81/73/383948173.db2.gz DMRPYAVVIYQOGF-WFASDCNBSA-N 2 0 289.423 2.595 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2c1cccc2Cl ZINC000422936266 533022007 /nfs/dbraw/zinc/02/20/07/533022007.db2.gz LYCZTFNGDCISHX-NHYWBVRUSA-N 2 0 282.815 2.671 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000438175394 383963609 /nfs/dbraw/zinc/96/36/09/383963609.db2.gz IUJQKTMSBOTQSM-OAHLLOKOSA-N 2 0 276.424 2.655 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C1CCOCC1 ZINC000532461817 384033764 /nfs/dbraw/zinc/03/37/64/384033764.db2.gz BFMSUOIYHRAQKA-QGZVFWFLSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc(F)cc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000266017322 384055684 /nfs/dbraw/zinc/05/56/84/384055684.db2.gz VDCMUOFCBYQVAN-IUODEOHRSA-N 2 0 280.387 2.749 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000574263444 384069145 /nfs/dbraw/zinc/06/91/45/384069145.db2.gz XHXNOKQFSHNNIP-VNHYZAJKSA-N 2 0 294.464 2.563 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1F ZINC000574277649 384070623 /nfs/dbraw/zinc/07/06/23/384070623.db2.gz QJWISLVHTGQNHE-UHFFFAOYSA-N 2 0 274.339 2.583 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000070356429 412975099 /nfs/dbraw/zinc/97/50/99/412975099.db2.gz ZMMWMVGGCOPJIK-JKSUJKDBSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H](F)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000440515361 384092222 /nfs/dbraw/zinc/09/22/22/384092222.db2.gz YVXFVNBBNZKDNW-HZPDHXFCSA-N 2 0 279.403 2.583 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000574638406 384125864 /nfs/dbraw/zinc/12/58/64/384125864.db2.gz RIFFATFPNCGJSB-LLVKDONJSA-N 2 0 265.426 2.581 20 0 CFADRP CO[C@](C)(C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000637888286 384250033 /nfs/dbraw/zinc/25/00/33/384250033.db2.gz GTRNCJKJTJZKAL-MRXNPFEDSA-N 2 0 268.445 2.606 20 0 CFADRP CCC[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637906754 384267329 /nfs/dbraw/zinc/26/73/29/384267329.db2.gz XXQCTKFRZPHZRS-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](OC)[C@H](C)CC)CC1 ZINC000637955638 384306845 /nfs/dbraw/zinc/30/68/45/384306845.db2.gz MFMSRMUYUHNHIK-GDBMZVCRSA-N 2 0 270.461 2.854 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000277463396 384309472 /nfs/dbraw/zinc/30/94/72/384309472.db2.gz LNOPOKHQFCGPIQ-MRXNPFEDSA-N 2 0 299.418 2.857 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccncc2N)cc1 ZINC000641706232 384278497 /nfs/dbraw/zinc/27/84/97/384278497.db2.gz CCYTZDDNIFODRT-UHFFFAOYSA-N 2 0 298.434 2.795 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccncc2N)c1 ZINC000641712307 384283720 /nfs/dbraw/zinc/28/37/20/384283720.db2.gz NZXWVJULORXSFM-UHFFFAOYSA-N 2 0 298.434 2.794 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641716596 384287824 /nfs/dbraw/zinc/28/78/24/384287824.db2.gz NBNJWZDLAZRXHY-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP COC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000641788769 384350416 /nfs/dbraw/zinc/35/04/16/384350416.db2.gz SZPWYKIRJBYRNG-RDJZCZTQSA-N 2 0 288.435 2.808 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641797111 384362449 /nfs/dbraw/zinc/36/24/49/384362449.db2.gz UTIWKSWDAVXUTH-UHFFFAOYSA-N 2 0 275.421 2.728 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000641797934 384363243 /nfs/dbraw/zinc/36/32/43/384363243.db2.gz ARUNPMYXFRXNIV-IKGGRYGDSA-N 2 0 292.467 2.942 20 0 CFADRP Cn1c(C[N@H+](C)CC2CC[NH+](C)CC2)cc2ccccc21 ZINC000638029790 384369189 /nfs/dbraw/zinc/36/91/89/384369189.db2.gz UBSRQPYTFJVYBX-UHFFFAOYSA-N 2 0 285.435 2.952 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCc1c(F)cccc1F ZINC000641802159 384371412 /nfs/dbraw/zinc/37/14/12/384371412.db2.gz YJOZOVDNIASIGI-KGLIPLIRSA-N 2 0 268.351 2.613 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1Cl ZINC000641802345 384371751 /nfs/dbraw/zinc/37/17/51/384371751.db2.gz JKDGWUAYIJQYSN-OLZOCXBDSA-N 2 0 268.788 2.564 20 0 CFADRP CC[N@H+](CCCNCc1ccncc1N)C1CCCCC1 ZINC000641768953 384334323 /nfs/dbraw/zinc/33/43/23/384334323.db2.gz MPAVUDUXJBFVOK-UHFFFAOYSA-N 2 0 290.455 2.798 20 0 CFADRP Cc1cccc2nc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cn21 ZINC000267458962 384396284 /nfs/dbraw/zinc/39/62/84/384396284.db2.gz UMFIIKMZKKYEOS-AWEZNQCLSA-N 2 0 295.390 2.745 20 0 CFADRP CCC[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)OC ZINC000638109535 384421978 /nfs/dbraw/zinc/42/19/78/384421978.db2.gz GHVVUIQAROWXPX-RBSFLKMASA-N 2 0 256.434 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)[C@H](C)c2cnc(C)nc2C)C[C@@H]1C ZINC000638111536 384423758 /nfs/dbraw/zinc/42/37/58/384423758.db2.gz UTGFOPVFFIESCG-BJJXKVORSA-N 2 0 290.455 2.959 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)ns2)[C@@H](C)C1 ZINC000638111914 384424216 /nfs/dbraw/zinc/42/42/16/384424216.db2.gz HFJHTNBKSRAQLL-FZMZJTMJSA-N 2 0 267.442 2.614 20 0 CFADRP CCCc1nc(C)c(CN2CCCCC[C@@H]([NH3+])C2)o1 ZINC000641824606 384380233 /nfs/dbraw/zinc/38/02/33/384380233.db2.gz VAAWVTWJIKGMCG-CYBMUJFWSA-N 2 0 265.401 2.639 20 0 CFADRP C([C@H]1CCCO1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713043 384455009 /nfs/dbraw/zinc/45/50/09/384455009.db2.gz CSBQIEQLVHNCOE-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1ccc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277862443 384427709 /nfs/dbraw/zinc/42/77/09/384427709.db2.gz NFGYMRVLRPNXEN-QGZVFWFLSA-N 2 0 290.451 2.894 20 0 CFADRP C[C@@H]1C[N@H+](CCCNCc2ccc(F)c(F)c2)CCCO1 ZINC000277872826 384430331 /nfs/dbraw/zinc/43/03/31/384430331.db2.gz NPSZLGYYUXBBKY-CYBMUJFWSA-N 2 0 298.377 2.555 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H](c1nccn1C)C1CC1 ZINC000638117964 384430645 /nfs/dbraw/zinc/43/06/45/384430645.db2.gz PXFXGZWBCZFHIW-HZPDHXFCSA-N 2 0 290.455 2.677 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)[C@H](c1nccn1C)C1CC1 ZINC000638117957 384431201 /nfs/dbraw/zinc/43/12/01/384431201.db2.gz PXFXGZWBCZFHIW-CVEARBPZSA-N 2 0 290.455 2.677 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000638123300 384436487 /nfs/dbraw/zinc/43/64/87/384436487.db2.gz QETRIBVBNFHLMQ-GVDBMIGSSA-N 2 0 282.472 2.855 20 0 CFADRP C(C[C@@H]1CCO1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638177631 384470740 /nfs/dbraw/zinc/47/07/40/384470740.db2.gz DDRMJTHRXMQXRV-USXIJHARSA-N 2 0 278.440 2.504 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCSCC3)CC[C@@H]21 ZINC000638177680 384472494 /nfs/dbraw/zinc/47/24/94/384472494.db2.gz LWFJVEFKAWRFAA-CABCVRRESA-N 2 0 268.470 2.546 20 0 CFADRP CCc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc2[nH+]1 ZINC000643031773 384480670 /nfs/dbraw/zinc/48/06/70/384480670.db2.gz XXJNKXLSVXTXLY-GUYCJALGSA-N 2 0 281.403 2.985 20 0 CFADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc2[nH+]1 ZINC000643034322 384482165 /nfs/dbraw/zinc/48/21/65/384482165.db2.gz XLZFFIPHCGYOCS-CJNGLKHVSA-N 2 0 267.376 2.731 20 0 CFADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc2[nH+]1 ZINC000643034323 384482327 /nfs/dbraw/zinc/48/23/27/384482327.db2.gz XLZFFIPHCGYOCS-CZUORRHYSA-N 2 0 267.376 2.731 20 0 CFADRP COCCC[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638288973 384533378 /nfs/dbraw/zinc/53/33/78/384533378.db2.gz HOCPOQXPMUDVIV-FUHWJXTLSA-N 2 0 288.435 2.981 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000289348046 197306452 /nfs/dbraw/zinc/30/64/52/197306452.db2.gz XQJHGLNTAKCDFD-OAHLLOKOSA-N 2 0 292.398 2.897 20 0 CFADRP CCOC1CC(C[NH2+]CCC[NH+]2CCC(C)CC2)C1 ZINC000638308863 384548746 /nfs/dbraw/zinc/54/87/46/384548746.db2.gz YWEJENLYJGJWGT-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000638317290 384553101 /nfs/dbraw/zinc/55/31/01/384553101.db2.gz RIPHTWBKCUCQAB-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000638391737 384617233 /nfs/dbraw/zinc/61/72/33/384617233.db2.gz SOZFUHVIPWXKKE-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC(N(CCC[NH3+])c2cccc(F)c2)CC1 ZINC000680875586 542377508 /nfs/dbraw/zinc/37/75/08/542377508.db2.gz GLEXRZQSQUWFML-UHFFFAOYSA-N 2 0 293.430 2.855 20 0 CFADRP CC[C@@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)OC ZINC000638367609 384592211 /nfs/dbraw/zinc/59/22/11/384592211.db2.gz XBCNYWNWAMIKJO-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000638369393 384594984 /nfs/dbraw/zinc/59/49/84/384594984.db2.gz GUHRDTSGLSZEBP-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@](C)(C[NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000638371534 384598178 /nfs/dbraw/zinc/59/81/78/384598178.db2.gz RRILLLNFQVNNJW-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C2 ZINC000643500941 384664560 /nfs/dbraw/zinc/66/45/60/384664560.db2.gz JLNATDOIGCKGJE-WMLDXEAASA-N 2 0 258.409 2.523 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000643499232 384665700 /nfs/dbraw/zinc/66/57/00/384665700.db2.gz MFIUINZFENVOAQ-AWEZNQCLSA-N 2 0 294.439 2.532 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000643500757 384665876 /nfs/dbraw/zinc/66/58/76/384665876.db2.gz ZTJCOWPZIWNSFO-OLZOCXBDSA-N 2 0 252.427 2.658 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000643503566 384674043 /nfs/dbraw/zinc/67/40/43/384674043.db2.gz BRVFVEIDDSGVAT-LHUBUQBQSA-N 2 0 273.424 2.967 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000643451822 384634777 /nfs/dbraw/zinc/63/47/77/384634777.db2.gz FAXRQGOLAAVLHE-JZXOWHBKSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000643451821 384635839 /nfs/dbraw/zinc/63/58/39/384635839.db2.gz FAXRQGOLAAVLHE-BQFCYCMXSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC1CCOCC1 ZINC000638416685 384638393 /nfs/dbraw/zinc/63/83/93/384638393.db2.gz CLWNMFDIBDHUAL-OWCLPIDISA-N 2 0 282.472 2.759 20 0 CFADRP c1c2c(cc3c1OCCC[C@H]3NCC[NH2+]C1CC1)CCC2 ZINC000643507232 384676553 /nfs/dbraw/zinc/67/65/53/384676553.db2.gz WOVSGTCUCARARN-QGZVFWFLSA-N 2 0 286.419 2.731 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457581 384638946 /nfs/dbraw/zinc/63/89/46/384638946.db2.gz OPYHAJYEWVDIID-KGLIPLIRSA-N 2 0 277.799 2.833 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000643458401 384640944 /nfs/dbraw/zinc/64/09/44/384640944.db2.gz VGPSJMFQMZQYHT-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000643460242 384642263 /nfs/dbraw/zinc/64/22/63/384642263.db2.gz DKNMNEPOFQWDNB-JLZZUVOBSA-N 2 0 267.376 2.920 20 0 CFADRP Cc1csc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000643460712 384643148 /nfs/dbraw/zinc/64/31/48/384643148.db2.gz JFDYIPOWXRTOKU-HIFRSBDPSA-N 2 0 289.448 2.542 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000643466753 384646441 /nfs/dbraw/zinc/64/64/41/384646441.db2.gz MNQOUXPRFXVEDM-KKUMJFAQSA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCCCO1 ZINC000643466774 384647285 /nfs/dbraw/zinc/64/72/85/384647285.db2.gz MXGYVXZZCHUPJG-RRFJBIMHSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000643467426 384648373 /nfs/dbraw/zinc/64/83/73/384648373.db2.gz CAPWKFKXMAHDFY-GOEBONIOSA-N 2 0 261.413 2.901 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643469373 384649799 /nfs/dbraw/zinc/64/97/99/384649799.db2.gz QDIQLUDXWOBQIT-YESZJQIVSA-N 2 0 297.406 2.600 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643469371 384650802 /nfs/dbraw/zinc/65/08/02/384650802.db2.gz QDIQLUDXWOBQIT-GVDBMIGSSA-N 2 0 297.406 2.600 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268732962 384652274 /nfs/dbraw/zinc/65/22/74/384652274.db2.gz MSLGNFLFDBRWID-HLLBOEOZSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1occc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000643472248 384652756 /nfs/dbraw/zinc/65/27/56/384652756.db2.gz KZNVPODVVYFBMR-HRCADAONSA-N 2 0 262.397 2.988 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000643471809 384653249 /nfs/dbraw/zinc/65/32/49/384653249.db2.gz BBELADBNYXNIII-LBPRGKRZSA-N 2 0 273.380 2.643 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643479688 384656484 /nfs/dbraw/zinc/65/64/84/384656484.db2.gz KBXOLNVXKUJUQP-WCQYABFASA-N 2 0 265.426 2.561 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643478106 384656750 /nfs/dbraw/zinc/65/67/50/384656750.db2.gz ZVQUNYFNRJJCRL-XOKHGSTOSA-N 2 0 258.409 2.509 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000643493790 384660606 /nfs/dbraw/zinc/66/06/06/384660606.db2.gz OZAYWEGXQSPQKA-YQQAZPJKSA-N 2 0 290.451 2.852 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000643493791 384661643 /nfs/dbraw/zinc/66/16/43/384661643.db2.gz OZAYWEGXQSPQKA-ZMSDIMECSA-N 2 0 290.451 2.852 20 0 CFADRP Cn1cc(CCC[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000638528011 384723700 /nfs/dbraw/zinc/72/37/00/384723700.db2.gz YGZKWQOVKMXCQZ-UHFFFAOYSA-N 2 0 292.471 2.599 20 0 CFADRP Cc1nnsc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000638527991 384724031 /nfs/dbraw/zinc/72/40/31/384724031.db2.gz VIKKEJDVUHVIIM-UHFFFAOYSA-N 2 0 282.457 2.592 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000643544913 384724137 /nfs/dbraw/zinc/72/41/37/384724137.db2.gz QYYGQBHQQNMAFF-LXWWYSJOSA-N 2 0 292.467 2.687 20 0 CFADRP CO[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)C1CC1 ZINC000638527908 384724621 /nfs/dbraw/zinc/72/46/21/384724621.db2.gz LBLRLXQRVFWVEF-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000643509181 384680925 /nfs/dbraw/zinc/68/09/25/384680925.db2.gz DCGMERCILYQWOD-BMIGLBTASA-N 2 0 266.335 2.541 20 0 CFADRP [NH3+][C@H](CN[C@@H]1CCCc2cccnc21)c1ccccc1 ZINC000643509070 384681063 /nfs/dbraw/zinc/68/10/63/384681063.db2.gz IVMIBWPTTMBGPG-HZPDHXFCSA-N 2 0 267.376 2.749 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCc3ccccc3C2)CCC[NH2+]C1 ZINC000643518734 384684338 /nfs/dbraw/zinc/68/43/38/384684338.db2.gz XLJDNUABQZIABI-QZTJIDSGSA-N 2 0 272.436 2.913 20 0 CFADRP CC1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC[NH2+]CC1 ZINC000643518137 384684872 /nfs/dbraw/zinc/68/48/72/384684872.db2.gz NZDDWDZTFKYFCP-HNNXBMFYSA-N 2 0 280.362 2.931 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000268881342 384684986 /nfs/dbraw/zinc/68/49/86/384684986.db2.gz FKLYTGLAUJOOAI-QGZVFWFLSA-N 2 0 260.425 2.939 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)n1 ZINC000643518118 384685177 /nfs/dbraw/zinc/68/51/77/384685177.db2.gz KLGJNMKXSVCDSI-CYBMUJFWSA-N 2 0 261.413 2.739 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CCSCC1 ZINC000643548779 384726376 /nfs/dbraw/zinc/72/63/76/384726376.db2.gz UYUDZMNPOIYNRM-OCCSQVGLSA-N 2 0 268.470 2.782 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643520914 384686530 /nfs/dbraw/zinc/68/65/30/384686530.db2.gz AMKVKUCWLLLEDG-MYSGWJLTSA-N 2 0 271.408 2.519 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521391 384686811 /nfs/dbraw/zinc/68/68/11/384686811.db2.gz DACOXRVLQLHUTG-ZIAGYGMSSA-N 2 0 262.397 2.796 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000643523966 384691627 /nfs/dbraw/zinc/69/16/27/384691627.db2.gz QSWPUEAJMLUKNA-QZTJIDSGSA-N 2 0 279.387 2.524 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000643522875 384691953 /nfs/dbraw/zinc/69/19/53/384691953.db2.gz UEIWEQDVIGGKHI-PWSUYJOCSA-N 2 0 283.803 2.536 20 0 CFADRP CC(C)COc1ccc([C@@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643526011 384694601 /nfs/dbraw/zinc/69/46/01/384694601.db2.gz MXVFMIJXAJTDNU-QWHCGFSZSA-N 2 0 250.386 2.719 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CCn2ccnc21)c1ccc2ccccc2c1 ZINC000643525147 384694691 /nfs/dbraw/zinc/69/46/91/384694691.db2.gz ZUYISAWQLGTVJG-SJORKVTESA-N 2 0 292.386 2.771 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000268928398 384695997 /nfs/dbraw/zinc/69/59/97/384695997.db2.gz QGKBZKKPTNIZSG-IRXDYDNUSA-N 2 0 290.451 2.883 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643526514 384696064 /nfs/dbraw/zinc/69/60/64/384696064.db2.gz ADVJAJWGWVKIQO-DOLQZWNJSA-N 2 0 258.818 2.830 20 0 CFADRP COc1ccc(C2CCC([NH2+]C[C@@H](C)[NH3+])CC2)cc1 ZINC000643528077 384698509 /nfs/dbraw/zinc/69/85/09/384698509.db2.gz YTPMLJDRNAPPKN-DNOWBOINSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(CO)c1 ZINC000643547818 384727053 /nfs/dbraw/zinc/72/70/53/384727053.db2.gz JHEHVNAXFMABAO-XJKSGUPXSA-N 2 0 274.408 2.504 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534697 384707763 /nfs/dbraw/zinc/70/77/63/384707763.db2.gz AHDCUFOCGTXIAC-QLFBSQMISA-N 2 0 280.456 2.558 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535946 384709130 /nfs/dbraw/zinc/70/91/30/384709130.db2.gz QBKWLHNRTBQSJE-JKSUJKDBSA-N 2 0 288.460 2.749 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643535435 384709310 /nfs/dbraw/zinc/70/93/10/384709310.db2.gz MGHWZDLJJAVLTI-KEYYUXOJSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000643535680 384709584 /nfs/dbraw/zinc/70/95/84/384709584.db2.gz HQSXLWAVJPZLQL-CBBWQLFWSA-N 2 0 250.430 2.933 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000643535550 384709667 /nfs/dbraw/zinc/70/96/67/384709667.db2.gz GNTGFKHYCYXQNN-GJZGRUSLSA-N 2 0 294.826 2.759 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000643535678 384709993 /nfs/dbraw/zinc/70/99/93/384709993.db2.gz HQSXLWAVJPZLQL-APIJFGDWSA-N 2 0 250.430 2.933 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536613 384711212 /nfs/dbraw/zinc/71/12/12/384711212.db2.gz SODZHTHOQABVDS-KRWDZBQOSA-N 2 0 270.420 2.666 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536556 384711387 /nfs/dbraw/zinc/71/13/87/384711387.db2.gz RSWHKPZNOMHOCZ-HOTGVXAUSA-N 2 0 272.392 2.501 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(C2CCCC2)c1 ZINC000643536203 384711513 /nfs/dbraw/zinc/71/15/13/384711513.db2.gz NZIOLKSXSDDNJY-XJKSGUPXSA-N 2 0 288.439 2.791 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536320 384711987 /nfs/dbraw/zinc/71/19/87/384711987.db2.gz SVHLUNUWLKBVLV-CABCVRRESA-N 2 0 259.397 2.510 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000643541129 384718849 /nfs/dbraw/zinc/71/88/49/384718849.db2.gz OQRRTMRZWOYSMD-HFBAOOFYSA-N 2 0 277.387 2.779 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000643541877 384721820 /nfs/dbraw/zinc/72/18/20/384721820.db2.gz KETXSZDMBHATKT-CMPLNLGQSA-N 2 0 253.415 2.634 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643542710 384721834 /nfs/dbraw/zinc/72/18/34/384721834.db2.gz GSGMJFUKVOZZCB-KCQAQPDRSA-N 2 0 276.428 2.776 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000643542741 384721843 /nfs/dbraw/zinc/72/18/43/384721843.db2.gz RJOOYXISOZDIEF-BPYAMOTFSA-N 2 0 266.335 2.669 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C)ns2)CC1 ZINC000638562757 384742766 /nfs/dbraw/zinc/74/27/66/384742766.db2.gz BLUANTDKUXSSCY-UHFFFAOYSA-N 2 0 267.442 2.663 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638562321 384742928 /nfs/dbraw/zinc/74/29/28/384742928.db2.gz BNPWPBUNSADAAZ-MUJYYYPQSA-N 2 0 250.430 2.744 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638564883 384744153 /nfs/dbraw/zinc/74/41/53/384744153.db2.gz KGAZSWYZHWEGOH-AAEUAGOBSA-N 2 0 260.372 2.742 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566528 384746005 /nfs/dbraw/zinc/74/60/05/384746005.db2.gz LCPKUMUXKXUOQL-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@H](C[NH2+]CCC1CC[NH+](C)CC1)C1CCCC1 ZINC000638566143 384746555 /nfs/dbraw/zinc/74/65/55/384746555.db2.gz BOMXZOMVHAYWKF-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638566735 384748408 /nfs/dbraw/zinc/74/84/08/384748408.db2.gz ONTQHTNBJQURHE-JONQDZQNSA-N 2 0 250.430 2.743 20 0 CFADRP COC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000279770240 384753694 /nfs/dbraw/zinc/75/36/94/384753694.db2.gz SINJSFSAXFGSAK-DOMZBBRYSA-N 2 0 284.831 2.957 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638589352 384762918 /nfs/dbraw/zinc/76/29/18/384762918.db2.gz SNDGOIOQTNPQQN-OAHLLOKOSA-N 2 0 276.424 2.775 20 0 CFADRP COc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1F ZINC000643973768 384801179 /nfs/dbraw/zinc/80/11/79/384801179.db2.gz IOUIKANNBQCZPT-ZDUSSCGKSA-N 2 0 292.398 2.798 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C(C)C ZINC000638732891 384874010 /nfs/dbraw/zinc/87/40/10/384874010.db2.gz FRJCCBWDROZLMV-HZPDHXFCSA-N 2 0 297.487 2.532 20 0 CFADRP CC(C)C1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000638752602 384889967 /nfs/dbraw/zinc/88/99/67/384889967.db2.gz ZLRWZTOZJOXUBM-IAGOWNOFSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]([NH2+]CCN(C)C)[C@H](C)c1ccc(Cl)cc1 ZINC000280108828 384885768 /nfs/dbraw/zinc/88/57/68/384885768.db2.gz BFQCTRPGIDHOBD-NWDGAFQWSA-N 2 0 254.805 2.983 20 0 CFADRP CC(C)C1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000638752601 384889409 /nfs/dbraw/zinc/88/94/09/384889409.db2.gz ZLRWZTOZJOXUBM-DLBZAZTESA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000638760134 384896051 /nfs/dbraw/zinc/89/60/51/384896051.db2.gz PKBUSZLTQPGSQL-OAHLLOKOSA-N 2 0 282.472 2.780 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000280139558 384900832 /nfs/dbraw/zinc/90/08/32/384900832.db2.gz CWKIYHOEODZWCM-HOTGVXAUSA-N 2 0 276.399 2.975 20 0 CFADRP c1ccc([C@H]2C[C@@H]([NH2+]CCN3CCC3)CCN2C2CC2)cc1 ZINC000638786440 384917795 /nfs/dbraw/zinc/91/77/95/384917795.db2.gz AQDAXKNLKLSKGP-PKOBYXMFSA-N 2 0 299.462 2.650 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638788478 384919997 /nfs/dbraw/zinc/91/99/97/384919997.db2.gz KRZMBFJWTGXWGY-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000638837602 384970497 /nfs/dbraw/zinc/97/04/97/384970497.db2.gz VJGOGYRRGBJTNS-DZGCQCFKSA-N 2 0 291.464 2.782 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CC1(F)F ZINC000638851392 384986552 /nfs/dbraw/zinc/98/65/52/384986552.db2.gz JWYVZKZINKFMBS-BXUZGUMPSA-N 2 0 268.351 2.882 20 0 CFADRP CO[C@@](C)(C[NH2+]Cc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000638851489 384987058 /nfs/dbraw/zinc/98/70/58/384987058.db2.gz MDKDAIKBSSMSRQ-KRWDZBQOSA-N 2 0 276.424 2.653 20 0 CFADRP Cc1ccncc1CCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000289241747 197272163 /nfs/dbraw/zinc/27/21/63/197272163.db2.gz LECTTXHNRATSIJ-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP C[C@H](CC[NH2+]Cc1ccc(CO)cc1)[NH+]1CCCCC1 ZINC000639039004 385112189 /nfs/dbraw/zinc/11/21/89/385112189.db2.gz XXHLJAMAJOQFSJ-OAHLLOKOSA-N 2 0 276.424 2.533 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000270525081 385133299 /nfs/dbraw/zinc/13/32/99/385133299.db2.gz SNVALWMQKPMQLT-CQSZACIVSA-N 2 0 264.413 2.560 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289177510 197255053 /nfs/dbraw/zinc/25/50/53/197255053.db2.gz IBAPTXDIMRPDAT-RHSMWYFYSA-N 2 0 276.424 2.793 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000645188543 385233318 /nfs/dbraw/zinc/23/33/18/385233318.db2.gz FWFUVNKUSGNMIA-GOSISDBHSA-N 2 0 287.451 2.670 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639204367 385324306 /nfs/dbraw/zinc/32/43/06/385324306.db2.gz SIEIJFBHAVADCJ-HKUYNNGSSA-N 2 0 299.462 2.541 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282457937 385315389 /nfs/dbraw/zinc/31/53/89/385315389.db2.gz VKBZZHNEVQYKRC-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639176495 385284964 /nfs/dbraw/zinc/28/49/64/385284964.db2.gz WTBGIGDNQLBONK-KRWDZBQOSA-N 2 0 289.467 2.787 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CCCC1 ZINC000639177557 385287993 /nfs/dbraw/zinc/28/79/93/385287993.db2.gz FKHBHKNPGFTLMM-IXDOHACOSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282361931 385293028 /nfs/dbraw/zinc/29/30/28/385293028.db2.gz PTOQZJOMQRNZHO-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639180773 385293534 /nfs/dbraw/zinc/29/35/34/385293534.db2.gz YFRKUAHNPJOYRO-ZHCJQAHYSA-N 2 0 262.441 2.839 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]CC3CCSCC3)ccc12 ZINC000639256611 385385055 /nfs/dbraw/zinc/38/50/55/385385055.db2.gz KARQBCYIEYRHBI-UHFFFAOYSA-N 2 0 261.394 2.567 20 0 CFADRP Cn1c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000639257616 385386298 /nfs/dbraw/zinc/38/62/98/385386298.db2.gz PPQDPVKPWPFZID-OAHLLOKOSA-N 2 0 285.435 3.000 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2cc(C)cc(Cl)n2)[C@H](C)C1 ZINC000282778913 385386888 /nfs/dbraw/zinc/38/68/88/385386888.db2.gz PKPXLOJUEHLDDP-OCCSQVGLSA-N 2 0 281.831 2.863 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000639258503 385387929 /nfs/dbraw/zinc/38/79/29/385387929.db2.gz BIZONHXUSKCOGE-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000271810885 385392684 /nfs/dbraw/zinc/39/26/84/385392684.db2.gz AQLOTNCBSICUCE-ZDUSSCGKSA-N 2 0 291.464 2.934 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423290347 533117054 /nfs/dbraw/zinc/11/70/54/533117054.db2.gz ZTFDOZZNZIKSDM-NWDGAFQWSA-N 2 0 250.386 2.514 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@H]3CCCc4nn(C)cc43)n2c1 ZINC000282980429 385419478 /nfs/dbraw/zinc/41/94/78/385419478.db2.gz LZPQRVNSWPPBRE-HNNXBMFYSA-N 2 0 295.390 2.543 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@@H]3CCCc4nn(C)cc43)n2c1 ZINC000282980440 385419622 /nfs/dbraw/zinc/41/96/22/385419622.db2.gz LZPQRVNSWPPBRE-OAHLLOKOSA-N 2 0 295.390 2.543 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1F ZINC000423255341 533117720 /nfs/dbraw/zinc/11/77/20/533117720.db2.gz BSNLQXZWLDBFFT-CHWSQXEVSA-N 2 0 280.387 2.875 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])ccc1OC(F)F ZINC000423296899 533117966 /nfs/dbraw/zinc/11/79/66/533117966.db2.gz HXSPVANUCJOHIX-VHSXEESVSA-N 2 0 288.338 2.542 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121032520 412998513 /nfs/dbraw/zinc/99/85/13/412998513.db2.gz PYLAKOOUPREYBA-NXOAAHMSSA-N 2 0 292.467 2.798 20 0 CFADRP c1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000272016911 385426992 /nfs/dbraw/zinc/42/69/92/385426992.db2.gz RHBRLGWNOCMAGE-JKSUJKDBSA-N 2 0 256.393 2.892 20 0 CFADRP C([NH2+][C@@H]1CCCN2CCCC[C@@H]12)C1CCSCC1 ZINC000639302290 385429221 /nfs/dbraw/zinc/42/92/21/385429221.db2.gz LDXLTJROUWEDMK-CABCVRRESA-N 2 0 268.470 2.736 20 0 CFADRP C(C[NH2+]C[C@@H]1CCN1C1CCCCC1)C[C@@H]1CCO1 ZINC000639345431 385469637 /nfs/dbraw/zinc/46/96/37/385469637.db2.gz LMPOIPDIMKDYIS-JKSUJKDBSA-N 2 0 266.429 2.552 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)ccc1OC(C)C ZINC000422814460 533122007 /nfs/dbraw/zinc/12/20/07/533122007.db2.gz UWSXYYDBSDEQQG-CHWSQXEVSA-N 2 0 292.423 2.741 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639348127 385471698 /nfs/dbraw/zinc/47/16/98/385471698.db2.gz VGRLCUASUFUGKQ-FPCVCCKLSA-N 2 0 250.430 2.744 20 0 CFADRP C([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCSCC1 ZINC000639334744 385460415 /nfs/dbraw/zinc/46/04/15/385460415.db2.gz JSXYENFYDNYSIK-UHFFFAOYSA-N 2 0 282.497 2.841 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000639335525 385461152 /nfs/dbraw/zinc/46/11/52/385461152.db2.gz SVVRILXPMPMVRN-SFHVURJKSA-N 2 0 294.483 2.903 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCC2CCOCC2)CC1 ZINC000639375174 385492088 /nfs/dbraw/zinc/49/20/88/385492088.db2.gz RBSHTFULXNCNKQ-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CC[C@H](COC)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272267511 385493807 /nfs/dbraw/zinc/49/38/07/385493807.db2.gz AQACATITIGAAGD-BPQIPLTHSA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639379413 385496398 /nfs/dbraw/zinc/49/63/98/385496398.db2.gz XUUSKXYCOPLXQK-HUUCEWRRSA-N 2 0 270.461 2.854 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121973998 413000631 /nfs/dbraw/zinc/00/06/31/413000631.db2.gz AOCHSTGLWJIZHS-ULQDDVLXSA-N 2 0 292.467 2.656 20 0 CFADRP CN(Cc1ccc(Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395480 385513770 /nfs/dbraw/zinc/51/37/70/385513770.db2.gz AFAJJLHJHRBKPD-HNNXBMFYSA-N 2 0 264.800 2.866 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000337390086 285178314 /nfs/dbraw/zinc/17/83/14/285178314.db2.gz KLJSSEPRINTDGW-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP CCOCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487257 385550284 /nfs/dbraw/zinc/55/02/84/385550284.db2.gz MRSHVAURJUTYLP-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639474912 385552416 /nfs/dbraw/zinc/55/24/16/385552416.db2.gz WQLOPGHLXATDFG-MRXNPFEDSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CC(C)(C)CO2)CC1 ZINC000639484172 385555568 /nfs/dbraw/zinc/55/55/68/385555568.db2.gz HMIWUFLGJWUNAE-OAHLLOKOSA-N 2 0 268.445 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC(C)(C)CO2)C[C@H]1C ZINC000639509897 385565996 /nfs/dbraw/zinc/56/59/96/385565996.db2.gz PLPRFBOVPBREMQ-ILXRZTDVSA-N 2 0 268.445 2.606 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423140868 533130884 /nfs/dbraw/zinc/13/08/84/533130884.db2.gz ZOWPRFIJDFYDGK-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@H](C)C[NH3+])c2ccccc2)cc1 ZINC000423301361 533132635 /nfs/dbraw/zinc/13/26/35/533132635.db2.gz FUDVAPXYNIIXHI-KDOFPFPSSA-N 2 0 284.403 2.969 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272677689 385587310 /nfs/dbraw/zinc/58/73/10/385587310.db2.gz RNOFFINTFZBMSV-RYRKJORJSA-N 2 0 290.451 2.912 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc3c2CCOC3)CC1 ZINC000639613693 385613833 /nfs/dbraw/zinc/61/38/33/385613833.db2.gz VBOXXNREPJEDDE-KRWDZBQOSA-N 2 0 288.435 2.675 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(C)n1 ZINC000639633714 385624415 /nfs/dbraw/zinc/62/44/15/385624415.db2.gz PQFDERYONXEJRD-UHFFFAOYSA-N 2 0 283.375 2.666 20 0 CFADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000639659637 385643381 /nfs/dbraw/zinc/64/33/81/385643381.db2.gz AGCILRUTSUJDNS-RDJZCZTQSA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)OC1CC([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639683506 385659726 /nfs/dbraw/zinc/65/97/26/385659726.db2.gz IMTOIDQLSWJMQC-UHFFFAOYSA-N 2 0 289.423 2.550 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1F ZINC000423303466 533138914 /nfs/dbraw/zinc/13/89/14/533138914.db2.gz LPNAAWSEWSCWAW-HOCLYGCPSA-N 2 0 292.398 2.670 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCOCC3CCCC3)C2)CC1 ZINC000639755778 385697596 /nfs/dbraw/zinc/69/75/96/385697596.db2.gz MUCDRTCUFQTKMH-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000639757927 385697715 /nfs/dbraw/zinc/69/77/15/385697715.db2.gz MXTVHIYXRUKSSZ-UHFFFAOYSA-N 2 0 280.362 2.883 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000639984184 385805116 /nfs/dbraw/zinc/80/51/16/385805116.db2.gz SCDITTABCOQQNC-INIZCTEOSA-N 2 0 280.456 2.896 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000639984501 385805136 /nfs/dbraw/zinc/80/51/36/385805136.db2.gz WOLZEQQGRYKTGU-OAHLLOKOSA-N 2 0 266.429 2.506 20 0 CFADRP CC1([NH+]2CCCC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000639984502 385805949 /nfs/dbraw/zinc/80/59/49/385805949.db2.gz WPSAMEVRTBTXPI-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCCCC1 ZINC000288592897 197122323 /nfs/dbraw/zinc/12/23/23/197122323.db2.gz OWRJKDUZYIOCDH-UHFFFAOYSA-N 2 0 291.439 2.834 20 0 CFADRP C[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274977989 385905692 /nfs/dbraw/zinc/90/56/92/385905692.db2.gz YVFVFDSBCNFQPH-JFIYKMOQSA-N 2 0 290.451 2.505 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000122857755 413009442 /nfs/dbraw/zinc/00/94/42/413009442.db2.gz LUGSBRMXSMWFQE-LRDDRELGSA-N 2 0 287.382 2.933 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1ccsc1 ZINC000275167908 385949532 /nfs/dbraw/zinc/94/95/32/385949532.db2.gz TXUQOCKCIIFFNJ-CYBMUJFWSA-N 2 0 254.443 2.953 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423136167 285219794 /nfs/dbraw/zinc/21/97/94/285219794.db2.gz USCZNBGETPBZFB-CHWSQXEVSA-N 2 0 278.387 2.546 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423326449 533161558 /nfs/dbraw/zinc/16/15/58/533161558.db2.gz KNPSCBPMRSTQSI-HNNXBMFYSA-N 2 0 292.398 2.801 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000124591439 413014278 /nfs/dbraw/zinc/01/42/78/413014278.db2.gz VKTCLHQKQGLVDA-JQWIXIFHSA-N 2 0 270.323 2.600 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000423556260 533175302 /nfs/dbraw/zinc/17/53/02/533175302.db2.gz YTXBYFDRPXMRQR-REWJHTLYSA-N 2 0 292.398 2.873 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423445162 533176143 /nfs/dbraw/zinc/17/61/43/533176143.db2.gz MGWZURZEPZMZSO-FVCCEPFGSA-N 2 0 250.386 2.513 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CC(C(F)F)C2)c1 ZINC000681089060 542409562 /nfs/dbraw/zinc/40/95/62/542409562.db2.gz CTQPWDFEWZBIMC-UHFFFAOYSA-N 2 0 298.377 2.760 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H](C)CCC[NH3+])C2CC2)cc1 ZINC000422947246 533198195 /nfs/dbraw/zinc/19/81/95/533198195.db2.gz XXKXXNQPGTXKOG-BLLLJJGKSA-N 2 0 262.397 2.863 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129072340 413027784 /nfs/dbraw/zinc/02/77/84/413027784.db2.gz QTBORVVDGBIIBB-HIFRSBDPSA-N 2 0 262.397 2.878 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCC1 ZINC000422890431 533209675 /nfs/dbraw/zinc/20/96/75/533209675.db2.gz SCAMZWMBBWRVBV-ZDUSSCGKSA-N 2 0 291.439 2.706 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)C2CCCCCC2)CCC[NH2+]1 ZINC000423412611 285324903 /nfs/dbraw/zinc/32/49/03/285324903.db2.gz IDDIOYABGOBTDW-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]1SCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000133033214 413039639 /nfs/dbraw/zinc/03/96/39/413039639.db2.gz ZFYZNBBZYPMRHQ-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000682497680 542559989 /nfs/dbraw/zinc/55/99/89/542559989.db2.gz FUMIFLQEWYNCAN-GFCCVEGCSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOc1ccccc1 ZINC000093516113 184687294 /nfs/dbraw/zinc/68/72/94/184687294.db2.gz LTXYGCOXCQMTMZ-JKSUJKDBSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(F)cc(F)c1 ZINC000094827413 184876613 /nfs/dbraw/zinc/87/66/13/184876613.db2.gz UKWXCZGUCBMMAB-SQNUNTJVSA-N 2 0 254.324 2.885 20 0 CFADRP C[N@@H+]1CCN(CCNc2cc[nH+]c3ccccc23)CC1(C)C ZINC000281560606 195288670 /nfs/dbraw/zinc/28/86/70/195288670.db2.gz CZMAKANTVYPYFB-UHFFFAOYSA-N 2 0 298.434 2.673 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCCC2)[C@@H](C)C1 ZINC000246947553 285375885 /nfs/dbraw/zinc/37/58/85/285375885.db2.gz HEXSOVGKZLDYGT-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361081804 285394078 /nfs/dbraw/zinc/39/40/78/285394078.db2.gz SNHTUYIWTPMAFJ-ZQIUZPCESA-N 2 0 286.419 2.986 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423488718 285394109 /nfs/dbraw/zinc/39/41/09/285394109.db2.gz VOMJVEOSNUTTIK-CZUORRHYSA-N 2 0 274.408 2.891 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423464044 533312644 /nfs/dbraw/zinc/31/26/44/533312644.db2.gz GKFPBWPHEUMKAW-XUJVJEKNSA-N 2 0 292.398 2.929 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncs1 ZINC000421878437 533337735 /nfs/dbraw/zinc/33/77/35/533337735.db2.gz NHPOMWGYJBYUIG-VOMCLLRMSA-N 2 0 253.415 2.667 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)cc2c1 ZINC000414858870 533356019 /nfs/dbraw/zinc/35/60/19/533356019.db2.gz SSFPYBFDSVWOES-STQMWFEESA-N 2 0 288.391 2.919 20 0 CFADRP C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCC1)C1C[NH2+]C1 ZINC000423174890 533364162 /nfs/dbraw/zinc/36/41/62/533364162.db2.gz CXZFHMYDFJJGRF-LLVKDONJSA-N 2 0 280.362 2.584 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423347598 533366744 /nfs/dbraw/zinc/36/67/44/533366744.db2.gz QSQAVSCLJRIBNW-LLVKDONJSA-N 2 0 250.773 2.910 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000423328132 533369027 /nfs/dbraw/zinc/36/90/27/533369027.db2.gz SCKFFRQSLPDOLR-WDEREUQCSA-N 2 0 252.789 2.641 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423302768 533369957 /nfs/dbraw/zinc/36/99/57/533369957.db2.gz KJEAVWVJTKHMSS-CYBMUJFWSA-N 2 0 267.376 2.619 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000423342094 533378162 /nfs/dbraw/zinc/37/81/62/533378162.db2.gz UZIVCGZVSDFKCM-SNVBAGLBSA-N 2 0 276.302 2.975 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000423197014 533378934 /nfs/dbraw/zinc/37/89/34/533378934.db2.gz XHYGDJJBYFKWLL-MRVPVSSYSA-N 2 0 278.730 2.941 20 0 CFADRP C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1c[nH+]ccc1N ZINC000422810762 533380018 /nfs/dbraw/zinc/38/00/18/533380018.db2.gz UUMZACLIQFTQDX-CQSZACIVSA-N 2 0 290.455 2.799 20 0 CFADRP COc1ccc(C)cc1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422788247 533384604 /nfs/dbraw/zinc/38/46/04/533384604.db2.gz QVDLCRDPECONQK-UHFFFAOYSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(COc2ccccc2)c1)C1C[NH2+]C1 ZINC000422729191 533455504 /nfs/dbraw/zinc/45/55/04/533455504.db2.gz HMLGJDUECPWHKG-OAHLLOKOSA-N 2 0 296.414 2.963 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423230100 533400745 /nfs/dbraw/zinc/40/07/45/533400745.db2.gz IPCHKVPXOUQQFQ-PRLABOORSA-N 2 0 296.455 2.748 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1C ZINC000414080030 533456021 /nfs/dbraw/zinc/45/60/21/533456021.db2.gz UFGPWRXIPRKEOL-CKEIUWERSA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423246398 533403510 /nfs/dbraw/zinc/40/35/10/533403510.db2.gz JXPVIWWWKNRRFS-VXGBXAGGSA-N 2 0 275.421 2.947 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422937878 533456245 /nfs/dbraw/zinc/45/62/45/533456245.db2.gz DAWUMLZMDOJVJN-AWEZNQCLSA-N 2 0 264.413 2.735 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423132148 533415220 /nfs/dbraw/zinc/41/52/20/533415220.db2.gz OSCAXARMMBNXTN-COXVUDFISA-N 2 0 258.409 2.910 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422946869 533457357 /nfs/dbraw/zinc/45/73/57/533457357.db2.gz PNWRVGPMAQEHEV-RHSMWYFYSA-N 2 0 276.424 2.606 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422946870 533457664 /nfs/dbraw/zinc/45/76/64/533457664.db2.gz PNWRVGPMAQEHEV-WMLDXEAASA-N 2 0 276.424 2.606 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422728535 533475001 /nfs/dbraw/zinc/47/50/01/533475001.db2.gz AFGVNRZPLQDOLV-YOEHRIQHSA-N 2 0 276.424 2.748 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422775931 533508293 /nfs/dbraw/zinc/50/82/93/533508293.db2.gz CNCGKJIHSKGLFK-JKIFEVAISA-N 2 0 276.424 2.746 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422775929 533512934 /nfs/dbraw/zinc/51/29/34/533512934.db2.gz CNCGKJIHSKGLFK-GRDNDAEWSA-N 2 0 276.424 2.746 20 0 CFADRP COc1cc(C)c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414997974 533572985 /nfs/dbraw/zinc/57/29/85/533572985.db2.gz QHPQUPJLDAIXCE-ZFWWWQNUSA-N 2 0 292.423 2.619 20 0 CFADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000423264488 533575537 /nfs/dbraw/zinc/57/55/37/533575537.db2.gz CALYUUBMGZFHBI-ZFWWWQNUSA-N 2 0 294.439 2.516 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]CCCCCOc1ccccc1 ZINC000414896070 533579115 /nfs/dbraw/zinc/57/91/15/533579115.db2.gz OCCMFXWFPSANPL-AWEZNQCLSA-N 2 0 250.386 2.563 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414901903 533579700 /nfs/dbraw/zinc/57/97/00/533579700.db2.gz XUWGQXHLCGTATD-NSHDSACASA-N 2 0 282.815 2.956 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414874901 533580288 /nfs/dbraw/zinc/58/02/88/533580288.db2.gz BHFZQGUJNCGTGO-JTQLQIEISA-N 2 0 278.787 2.557 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1F ZINC000414772228 533603180 /nfs/dbraw/zinc/60/31/80/533603180.db2.gz BLWMNTRPAPEDMF-JKSUJKDBSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423124910 533537983 /nfs/dbraw/zinc/53/79/83/533537983.db2.gz MYRYHIXJWOACNC-QWHCGFSZSA-N 2 0 284.831 2.523 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422707116 533538085 /nfs/dbraw/zinc/53/80/85/533538085.db2.gz VSCFYMJKVBSDSO-ZDUSSCGKSA-N 2 0 274.412 2.603 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422732753 533538560 /nfs/dbraw/zinc/53/85/60/533538560.db2.gz QHIPGBBIQVRUBP-XJKSGUPXSA-N 2 0 281.419 2.536 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CCC[NH3+])c2ccccc2)c1 ZINC000423191226 533540840 /nfs/dbraw/zinc/54/08/40/533540840.db2.gz OSLUHNAMRVHTFU-GOSISDBHSA-N 2 0 284.403 2.917 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943817 533553960 /nfs/dbraw/zinc/55/39/60/533553960.db2.gz LADPJKWCGPRPEA-LBPRGKRZSA-N 2 0 254.805 2.990 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000415025996 533554832 /nfs/dbraw/zinc/55/48/32/533554832.db2.gz SKAUEZPUXDHHQW-JTQLQIEISA-N 2 0 276.302 2.802 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423196327 533555132 /nfs/dbraw/zinc/55/51/32/533555132.db2.gz ZJLNMJMKJWQOFN-STQMWFEESA-N 2 0 291.414 2.965 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000414788115 533557714 /nfs/dbraw/zinc/55/77/14/533557714.db2.gz WGTGQBPXUIZKSZ-IRXDYDNUSA-N 2 0 288.435 2.825 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422866128 533613207 /nfs/dbraw/zinc/61/32/07/533613207.db2.gz PWAJTFCWVHMJMS-AVGNSLFASA-N 2 0 280.412 2.789 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414901067 533654914 /nfs/dbraw/zinc/65/49/14/533654914.db2.gz FOWHHNYKBLAGNY-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414900354 533670912 /nfs/dbraw/zinc/67/09/12/533670912.db2.gz DGUMLYVZGNFGJG-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414879498 533667007 /nfs/dbraw/zinc/66/70/07/533667007.db2.gz PPLPUPZJDNFQTH-LBPRGKRZSA-N 2 0 250.361 2.618 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342105240 130264383 /nfs/dbraw/zinc/26/43/83/130264383.db2.gz ODKFEHSJPXDWAN-RYQLBKOJSA-N 2 0 288.435 2.687 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)C[C@@H]21 ZINC000342113951 130270969 /nfs/dbraw/zinc/27/09/69/130270969.db2.gz WKJKULYXDFUGGB-AEGPPILISA-N 2 0 296.361 2.847 20 0 CFADRP Cc1ccnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000683019418 542628705 /nfs/dbraw/zinc/62/87/05/542628705.db2.gz LJJCTRDRXNLBOO-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CCc1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342090859 130305038 /nfs/dbraw/zinc/30/50/38/130305038.db2.gz CADNUUGTGSALJY-SZMVWBNQSA-N 2 0 288.435 2.687 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)ccn2)[C@H](C)C1 ZINC000683018176 542629148 /nfs/dbraw/zinc/62/91/48/542629148.db2.gz ZRJWLOCHCZRNTL-ZBFHGGJFSA-N 2 0 261.413 2.552 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](CO)CCC(C)(C)C)CC1 ZINC000355674930 130330547 /nfs/dbraw/zinc/33/05/47/130330547.db2.gz DLJIDFIAIMRYLY-HNNXBMFYSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)CCS1 ZINC000192187679 130389935 /nfs/dbraw/zinc/38/99/35/130389935.db2.gz XBLWSRAXZQYOGS-CYBMUJFWSA-N 2 0 288.420 2.595 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@@H](C(F)(F)F)C1 ZINC000683141753 542645137 /nfs/dbraw/zinc/64/51/37/542645137.db2.gz OCHUXZUNDPDDDZ-LLVKDONJSA-N 2 0 252.324 2.603 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246829827 131098076 /nfs/dbraw/zinc/09/80/76/131098076.db2.gz BATIQAAJCNTZOY-XHSDSOJGSA-N 2 0 276.424 2.835 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000249379299 131120912 /nfs/dbraw/zinc/12/09/12/131120912.db2.gz OMNHRMYDFXMJDZ-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000249375660 131120956 /nfs/dbraw/zinc/12/09/56/131120956.db2.gz JJWKLNBAPBVZNJ-JKIFEVAISA-N 2 0 276.424 2.904 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250171264 131124628 /nfs/dbraw/zinc/12/46/28/131124628.db2.gz NAABIKXJEINIDK-SJORKVTESA-N 2 0 274.408 2.549 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250365777 131124744 /nfs/dbraw/zinc/12/47/44/131124744.db2.gz UUHVCELKTOMDRL-WBMJQRKESA-N 2 0 262.372 2.744 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000252439010 131134668 /nfs/dbraw/zinc/13/46/68/131134668.db2.gz JQXXJHBQVHTHNQ-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252476464 131135499 /nfs/dbraw/zinc/13/54/99/131135499.db2.gz YLLOWSDIZDAYTP-MCIONIFRSA-N 2 0 264.438 2.896 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000135611178 285490036 /nfs/dbraw/zinc/49/00/36/285490036.db2.gz PNDDXOVDEDUMPA-SJORKVTESA-N 2 0 258.409 2.866 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683723046 542715637 /nfs/dbraw/zinc/71/56/37/542715637.db2.gz MQOVEIIXVSEGBE-QGZVFWFLSA-N 2 0 288.435 2.712 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000401177986 285509111 /nfs/dbraw/zinc/50/91/11/285509111.db2.gz ZKFZEGDVRJFWGM-XLAORIBOSA-N 2 0 270.420 2.522 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000268724368 132055875 /nfs/dbraw/zinc/05/58/75/132055875.db2.gz JUPYTUNZSGUIDU-MRXNPFEDSA-N 2 0 274.408 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)COC3)C1 ZINC000268746848 132060746 /nfs/dbraw/zinc/06/07/46/132060746.db2.gz AWHCDPZLGSZUAG-UONOGXRCSA-N 2 0 274.408 2.709 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000268826952 132072443 /nfs/dbraw/zinc/07/24/43/132072443.db2.gz URMZFVLUALHOBH-CVEARBPZSA-N 2 0 290.451 2.912 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccnc1Cl ZINC000268894820 132084644 /nfs/dbraw/zinc/08/46/44/132084644.db2.gz ANYYDOGUMFTFIC-CHWSQXEVSA-N 2 0 299.846 2.742 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000268902892 132086087 /nfs/dbraw/zinc/08/60/87/132086087.db2.gz MRZWXGBWOCJCAZ-KGLIPLIRSA-N 2 0 264.413 2.651 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)nc21 ZINC000268920807 132088913 /nfs/dbraw/zinc/08/89/13/132088913.db2.gz KDFRDKNWXHYMLO-UONOGXRCSA-N 2 0 287.407 2.751 20 0 CFADRP Cc1ccc2ncc(C[NH2+]C[C@@](C)(O)c3ccccc3)n2c1 ZINC000269367576 132160877 /nfs/dbraw/zinc/16/08/77/132160877.db2.gz RQXZOZJZCZNDOG-GOSISDBHSA-N 2 0 295.386 2.640 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCCNc2ccccn2)cs1 ZINC000269450261 132172720 /nfs/dbraw/zinc/17/27/20/132172720.db2.gz VTLUNQMSFYRCIM-LLVKDONJSA-N 2 0 276.409 2.999 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)CC[N@@H+]1C ZINC000180010110 393475852 /nfs/dbraw/zinc/47/58/52/393475852.db2.gz RFJMEKAPGXOJSW-BZUAXINKSA-N 2 0 296.455 2.525 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000374098889 393484174 /nfs/dbraw/zinc/48/41/74/393484174.db2.gz IAJKEKQDDMZVIR-QZTJIDSGSA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCNc1cc(NCC2CC2)ncn1 ZINC000301838076 393478508 /nfs/dbraw/zinc/47/85/08/393478508.db2.gz WMCYGKBMLAJAPV-CYBMUJFWSA-N 2 0 289.427 2.585 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(O)CCC3)CC2)C1 ZINC000305121542 393500545 /nfs/dbraw/zinc/50/05/45/393500545.db2.gz JROKMLSZQKKVQP-ZBFHGGJFSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000305772785 393502820 /nfs/dbraw/zinc/50/28/20/393502820.db2.gz UVNYRRHLJZDOAY-OVYGPGRDSA-N 2 0 282.472 2.636 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313713230 393523440 /nfs/dbraw/zinc/52/34/40/393523440.db2.gz JLUQVOZIMPDAFD-GXTWGEPZSA-N 2 0 297.240 2.709 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000037644142 393533880 /nfs/dbraw/zinc/53/38/80/393533880.db2.gz GPTUJDDBQOOCGW-KBPBESRZSA-N 2 0 292.423 2.696 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000379021223 393550572 /nfs/dbraw/zinc/55/05/72/393550572.db2.gz BEHZATUXTWRCHN-MSOLQXFVSA-N 2 0 288.435 2.838 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000421822251 285548661 /nfs/dbraw/zinc/54/86/61/285548661.db2.gz WMHHNRNNYJZJBM-QGZVFWFLSA-N 2 0 299.462 2.793 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000684370298 542794628 /nfs/dbraw/zinc/79/46/28/542794628.db2.gz RSDPREISSLMHAI-DLBZAZTESA-N 2 0 273.424 2.539 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH3+])CCC1)CC3 ZINC000333135907 393564506 /nfs/dbraw/zinc/56/45/06/393564506.db2.gz KEXWBAPQDUSZHV-ZDUSSCGKSA-N 2 0 283.419 2.805 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000684388116 542798472 /nfs/dbraw/zinc/79/84/72/542798472.db2.gz WECNKIWQVBHKIA-QDIHITRGSA-N 2 0 268.445 2.654 20 0 CFADRP COCC[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000045017654 393568655 /nfs/dbraw/zinc/56/86/55/393568655.db2.gz TYVYLJRMZINEJV-HNNXBMFYSA-N 2 0 264.413 2.523 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCS[C@H]1C ZINC000383812330 393575880 /nfs/dbraw/zinc/57/58/80/393575880.db2.gz GGGJCQBONMKGOX-ZOBORPQBSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401000738 393602674 /nfs/dbraw/zinc/60/26/74/393602674.db2.gz MMVQODFHDITLDZ-AAVRWANBSA-N 2 0 264.438 2.657 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000401740341 393604577 /nfs/dbraw/zinc/60/45/77/393604577.db2.gz IVUIGBFPNWHRPG-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1scnc1C1CC1)CC[NH2+]CC2 ZINC000335544016 393677130 /nfs/dbraw/zinc/67/71/30/393677130.db2.gz QDRMBRODJLCEMG-GFCCVEGCSA-N 2 0 291.464 2.985 20 0 CFADRP c1ccc([C@@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000191927085 393611575 /nfs/dbraw/zinc/61/15/75/393611575.db2.gz SRLRXTLYRSTCDI-MSOLQXFVSA-N 2 0 288.435 2.982 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403353412 393612973 /nfs/dbraw/zinc/61/29/73/393612973.db2.gz LKUFUXWGNNJTDM-OWCLPIDISA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)[C@@H]1CC[NH3+] ZINC000404421786 393617932 /nfs/dbraw/zinc/61/79/32/393617932.db2.gz JCPATGJSUIJGGY-BZUAXINKSA-N 2 0 280.456 2.928 20 0 CFADRP [NH3+]C[C@@H]1CCCN(c2nccc3ccc(F)cc32)C1 ZINC000334989939 393632109 /nfs/dbraw/zinc/63/21/09/393632109.db2.gz HHNRSIBWQXWXEV-NSHDSACASA-N 2 0 259.328 2.549 20 0 CFADRP FC1(F)CC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335010156 393633064 /nfs/dbraw/zinc/63/30/64/393633064.db2.gz OSIOMUYKTRHARJ-DZGCQCFKSA-N 2 0 294.345 2.630 20 0 CFADRP CC1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335032537 393635064 /nfs/dbraw/zinc/63/50/64/393635064.db2.gz MHBLDLHYAQIXQR-YOEHRIQHSA-N 2 0 272.392 2.632 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+][C@H]1CCN(C3CCCC3)C1)CC2 ZINC000335035816 393636575 /nfs/dbraw/zinc/63/65/75/393636575.db2.gz ZXMMSGKFKFNDGH-IRXDYDNUSA-N 2 0 299.462 2.936 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000335044336 393637313 /nfs/dbraw/zinc/63/73/13/393637313.db2.gz JMDWOJQQNYBWDX-HUUCEWRRSA-N 2 0 280.456 2.704 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000335076363 393638922 /nfs/dbraw/zinc/63/89/22/393638922.db2.gz XJNHXPHIMGKROJ-AOCRQIFASA-N 2 0 299.462 2.936 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000335249404 393654826 /nfs/dbraw/zinc/65/48/26/393654826.db2.gz PRFVVZSKVITRJP-HUUCEWRRSA-N 2 0 288.435 2.960 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000335299035 393658212 /nfs/dbraw/zinc/65/82/12/393658212.db2.gz DLEBBAUUGVYXKZ-JSGCOSHPSA-N 2 0 263.385 2.508 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000336697973 393745586 /nfs/dbraw/zinc/74/55/86/393745586.db2.gz BRKQAOUBVMHNDY-INIZCTEOSA-N 2 0 276.424 2.654 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000085098606 393750856 /nfs/dbraw/zinc/75/08/56/393750856.db2.gz RMZCSTVREVEGDY-NYTXWWLZSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000084986781 393750901 /nfs/dbraw/zinc/75/09/01/393750901.db2.gz FZSCGQSSBPSVFE-QPSCCSFWSA-N 2 0 250.430 2.885 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000085380170 393752298 /nfs/dbraw/zinc/75/22/98/393752298.db2.gz RGDBJYCUTTUFQT-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1(C)C ZINC000085401221 393752314 /nfs/dbraw/zinc/75/23/14/393752314.db2.gz YXODTWVSJVUHIC-RRFJBIMHSA-N 2 0 270.461 2.756 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000337325555 393757518 /nfs/dbraw/zinc/75/75/18/393757518.db2.gz BXDZUHKHFKEXHM-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000335634390 393686247 /nfs/dbraw/zinc/68/62/47/393686247.db2.gz NUBRUIVFWYXEMS-LSDHHAIUSA-N 2 0 262.372 2.647 20 0 CFADRP Oc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000684568033 542827847 /nfs/dbraw/zinc/82/78/47/542827847.db2.gz KDHWZXYJSKETNY-OLZOCXBDSA-N 2 0 283.375 2.979 20 0 CFADRP C[C@H]([NH2+]CCc1cncs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514496 393720693 /nfs/dbraw/zinc/72/06/93/393720693.db2.gz GLOPHWNSSVIXPH-UONOGXRCSA-N 2 0 293.480 2.928 20 0 CFADRP C[C@H]([NH2+]CCC1(O)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518921 393721963 /nfs/dbraw/zinc/72/19/63/393721963.db2.gz QPJRZMLIESYMNJ-LSDHHAIUSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424335190 393833711 /nfs/dbraw/zinc/83/37/11/393833711.db2.gz OWHVBBFSTCNKGQ-HUUCEWRRSA-N 2 0 262.397 2.623 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222933963 393764241 /nfs/dbraw/zinc/76/42/41/393764241.db2.gz DNDYDXNAPFTLTO-MJBXVCDLSA-N 2 0 262.397 2.924 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424338613 393834542 /nfs/dbraw/zinc/83/45/42/393834542.db2.gz UMCUWYFQQIKJQQ-IAGOWNOFSA-N 2 0 292.423 2.714 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)C1CCC(OC)CC1 ZINC000338314535 393781242 /nfs/dbraw/zinc/78/12/42/393781242.db2.gz JMGYRHJHLLYHCO-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684571228 542829232 /nfs/dbraw/zinc/82/92/32/542829232.db2.gz XMYQHLRLIWETID-ZDUSSCGKSA-N 2 0 285.391 2.907 20 0 CFADRP CCC1CCC([N@H+](CCO)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414756356 393803790 /nfs/dbraw/zinc/80/37/90/393803790.db2.gz QOGAQPUITHAQSS-KZYLPZIUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCO1 ZINC000414772806 393805547 /nfs/dbraw/zinc/80/55/47/393805547.db2.gz CMVCALVAXPNJSS-LTIDMASMSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000414865800 393806836 /nfs/dbraw/zinc/80/68/36/393806836.db2.gz ZURIYCHCCUSYMR-XKQJLSEDSA-N 2 0 258.409 2.522 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000414845134 393806905 /nfs/dbraw/zinc/80/69/05/393806905.db2.gz LRMBUTYMZRYAAR-JCYILVPMSA-N 2 0 275.440 2.669 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414954989 393807899 /nfs/dbraw/zinc/80/78/99/393807899.db2.gz MGVQCPUTKOIJTR-PMPSAXMXSA-N 2 0 268.445 2.704 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414954987 393808341 /nfs/dbraw/zinc/80/83/41/393808341.db2.gz MGVQCPUTKOIJTR-OWCLPIDISA-N 2 0 268.445 2.704 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000415118303 393812187 /nfs/dbraw/zinc/81/21/87/393812187.db2.gz WJVICSLFKVXOMI-AOCRQIFASA-N 3 0 293.499 2.619 20 0 CFADRP CC[C@H](C)C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000339405747 393822762 /nfs/dbraw/zinc/82/27/62/393822762.db2.gz CLEVGNRCUOJOJV-GXTWGEPZSA-N 2 0 281.469 2.909 20 0 CFADRP C[C@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000339410383 393824073 /nfs/dbraw/zinc/82/40/73/393824073.db2.gz RNNZITJBQDZDQJ-DOTOQJQBSA-N 2 0 276.424 2.905 20 0 CFADRP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684575018 542829775 /nfs/dbraw/zinc/82/97/75/542829775.db2.gz PLGNIYJEQCQCMH-CYBMUJFWSA-N 2 0 285.391 2.861 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000425363991 393877423 /nfs/dbraw/zinc/87/74/23/393877423.db2.gz YGKRYOIXZCDTMD-ZQDZILKHSA-N 2 0 270.486 2.838 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000425404601 393878542 /nfs/dbraw/zinc/87/85/42/393878542.db2.gz LYVMTIJKAZIVSL-LZLYRXPVSA-N 2 0 294.483 2.998 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C12CCCC2 ZINC000246791219 393884905 /nfs/dbraw/zinc/88/49/05/393884905.db2.gz CWJHJHVKEDYOQV-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000246833075 393886663 /nfs/dbraw/zinc/88/66/63/393886663.db2.gz GYWRUKHPVUJDFS-BZUAXINKSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248673468 393913423 /nfs/dbraw/zinc/91/34/23/393913423.db2.gz VTKLMVVZPBCZEM-WMLDXEAASA-N 2 0 271.408 2.843 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)C[C@H]1C ZINC000471536831 393904392 /nfs/dbraw/zinc/90/43/92/393904392.db2.gz DCRWFYTXFHFIIR-PMPSAXMXSA-N 2 0 270.461 2.615 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000340288335 393840690 /nfs/dbraw/zinc/84/06/90/393840690.db2.gz INNASWGTRVIUOH-MSOLQXFVSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424385524 393842674 /nfs/dbraw/zinc/84/26/74/393842674.db2.gz WHRGOCWCQCJHSS-ARLBYUKCSA-N 2 0 250.430 2.933 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@H]21 ZINC000684578352 542830797 /nfs/dbraw/zinc/83/07/97/542830797.db2.gz LSRDPDODJJYWGF-UKRRQHHQSA-N 2 0 297.402 2.861 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nccn1C ZINC000246107672 393847950 /nfs/dbraw/zinc/84/79/50/393847950.db2.gz ZGRCUEMTKUCPCX-OWCLPIDISA-N 2 0 292.471 2.829 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000341310471 393852819 /nfs/dbraw/zinc/85/28/19/393852819.db2.gz NEKUAILWWMHXDQ-XHSDSOJGSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC000416399096 393915084 /nfs/dbraw/zinc/91/50/84/393915084.db2.gz GKOGZJSQABQJPE-GWCFXTLKSA-N 2 0 274.368 2.802 20 0 CFADRP CC(C)=CCC[C@H](C)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000684613700 542836991 /nfs/dbraw/zinc/83/69/91/542836991.db2.gz YEXDRKJWEDMQFZ-JYJNAYRXSA-N 2 0 250.430 2.910 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684676453 542844637 /nfs/dbraw/zinc/84/46/37/542844637.db2.gz AVVWBISEXNXTQX-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)CC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000684851289 542862744 /nfs/dbraw/zinc/86/27/44/542862744.db2.gz UTSLUZIBWQPQCR-UHFFFAOYSA-N 2 0 298.390 2.527 20 0 CFADRP CCc1[nH+]c2ccccc2c(NC[C@@H](C)[NH+](C)C)c1C ZINC000684891874 542866934 /nfs/dbraw/zinc/86/69/34/542866934.db2.gz OJCPDIFSDUWEBA-GFCCVEGCSA-N 2 0 271.408 2.890 20 0 CFADRP C[C@H]1[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CCC[N@@H+]1C ZINC000346324124 393926258 /nfs/dbraw/zinc/92/62/58/393926258.db2.gz GNIKZRFSYJICJM-YJBOKZPZSA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3ccsc3)C2)C1 ZINC000429022949 393935136 /nfs/dbraw/zinc/93/51/36/393935136.db2.gz UFFSKSDBXVPTIR-OAHLLOKOSA-N 2 0 264.438 2.708 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347034875 393935648 /nfs/dbraw/zinc/93/56/48/393935648.db2.gz DHAYDWYQKFCXIS-HNNXBMFYSA-N 2 0 290.455 2.671 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000252495325 393936179 /nfs/dbraw/zinc/93/61/79/393936179.db2.gz QCBXDYOQEUQZNJ-SYQHCUMBSA-N 2 0 256.459 2.590 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000474480566 393943862 /nfs/dbraw/zinc/94/38/62/393943862.db2.gz DTWFCHPLCULPNJ-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000474468176 393944028 /nfs/dbraw/zinc/94/40/28/393944028.db2.gz DHYYUTPDQDRILQ-AEFFLSMTSA-N 2 0 295.515 2.817 20 0 CFADRP C([C@H]1CC[N@H+](CC23CCC(CC2)C3)C1)[NH+]1CCCC1 ZINC000347753679 393944350 /nfs/dbraw/zinc/94/43/50/393944350.db2.gz UOWPXIMDVBJSGL-AQFXKWCLSA-N 2 0 262.441 2.984 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000474725019 393945255 /nfs/dbraw/zinc/94/52/55/393945255.db2.gz DFSVAMUDPYHGIG-OKZBNKHCSA-N 2 0 296.499 2.884 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261583203 393948134 /nfs/dbraw/zinc/94/81/34/393948134.db2.gz HBSUFUCQHGFQFK-SJORKVTESA-N 2 0 258.409 2.851 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261583202 393948498 /nfs/dbraw/zinc/94/84/98/393948498.db2.gz HBSUFUCQHGFQFK-IRXDYDNUSA-N 2 0 258.409 2.851 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000346198490 393922636 /nfs/dbraw/zinc/92/26/36/393922636.db2.gz PZNUJOXOBGMBQY-DOTOQJQBSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000487644387 394016482 /nfs/dbraw/zinc/01/64/82/394016482.db2.gz UEFKKEKQXVYQOM-KGLIPLIRSA-N 2 0 269.392 2.941 20 0 CFADRP CCCC[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435734492 394019538 /nfs/dbraw/zinc/01/95/38/394019538.db2.gz XFCOTIKUCMPRPF-ZDUSSCGKSA-N 2 0 267.442 2.663 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000271541913 394020759 /nfs/dbraw/zinc/02/07/59/394020759.db2.gz YRHVVECFDFBMJJ-JMSVASOKSA-N 2 0 282.378 2.826 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000126183721 394022449 /nfs/dbraw/zinc/02/24/49/394022449.db2.gz RHDQVMMPKAAEFY-GOSISDBHSA-N 2 0 272.436 2.939 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C[C@H]2C)CCO1 ZINC000352967599 394023111 /nfs/dbraw/zinc/02/31/11/394023111.db2.gz MXHRHDVMJDEVMB-DZUCGIPZSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271887279 394023506 /nfs/dbraw/zinc/02/35/06/394023506.db2.gz QZKWEYJUFONRLR-GUYCJALGSA-N 2 0 256.393 2.771 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C/C=C/c2ccncc2)c1 ZINC000486936812 393973094 /nfs/dbraw/zinc/97/30/94/393973094.db2.gz NOKCWPIYMMHCLY-QPJJXVBHSA-N 2 0 281.403 2.946 20 0 CFADRP C(=C\c1ccncc1)\C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000486946246 393973383 /nfs/dbraw/zinc/97/33/83/393973383.db2.gz ZMJYVWCMEWWGDB-OCTSTCLRSA-N 2 0 293.414 2.959 20 0 CFADRP C(=C\c1ccncc1)\C[NH2+]CCC[NH+]1CCCCC1 ZINC000486981126 393977797 /nfs/dbraw/zinc/97/77/97/393977797.db2.gz QIXQHSDAVMKNEG-XQRVVYSFSA-N 2 0 259.397 2.560 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126254500 394024456 /nfs/dbraw/zinc/02/44/56/394024456.db2.gz GXNVRBCTEBMVIU-DYVFJYSZSA-N 2 0 258.409 2.851 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000123633458 393984547 /nfs/dbraw/zinc/98/45/47/393984547.db2.gz HLBSXIVKPQAUBL-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP COCCCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123632695 393984675 /nfs/dbraw/zinc/98/46/75/393984675.db2.gz WLGAHJKUFAYENX-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000123638626 393984764 /nfs/dbraw/zinc/98/47/64/393984764.db2.gz FBFBTXYTOCDQRN-JQWIXIFHSA-N 2 0 272.314 2.875 20 0 CFADRP COC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C(C)C ZINC000123691886 393985535 /nfs/dbraw/zinc/98/55/35/393985535.db2.gz DREPWPBQXHVQDE-INIZCTEOSA-N 2 0 264.413 2.509 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000123692172 393985747 /nfs/dbraw/zinc/98/57/47/393985747.db2.gz BSZDYXJZUZJAIT-SJORKVTESA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@@H]1CCSC1)C(C)C ZINC000487301200 393996264 /nfs/dbraw/zinc/99/62/64/393996264.db2.gz XQLMCWBZVSZIQI-AWEZNQCLSA-N 2 0 258.475 2.838 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000124622498 393997509 /nfs/dbraw/zinc/99/75/09/393997509.db2.gz VOZGEBSURPOBHJ-HIFRSBDPSA-N 2 0 262.397 2.785 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC1(C)C ZINC000487322282 393997987 /nfs/dbraw/zinc/99/79/87/393997987.db2.gz QILHIPHCDOGFGJ-DZKIICNBSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccon1 ZINC000268976030 393998386 /nfs/dbraw/zinc/99/83/86/393998386.db2.gz NJXRIHRVNOAOGS-YOEHRIQHSA-N 2 0 285.391 2.675 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000430617761 393998707 /nfs/dbraw/zinc/99/87/07/393998707.db2.gz OUVRUEDEYSUBLM-SFHVURJKSA-N 2 0 290.451 2.567 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000351414422 394000803 /nfs/dbraw/zinc/00/08/03/394000803.db2.gz NFOIIRQAVHWZOO-IAGOWNOFSA-N 3 0 281.488 2.525 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000430725479 394006832 /nfs/dbraw/zinc/00/68/32/394006832.db2.gz UARBFNWGRGPBRA-BZUAXINKSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H](CC[NH2+]C[C@@H]1CCSC1)[NH+]1CCCCC1 ZINC000487535542 394009093 /nfs/dbraw/zinc/00/90/93/394009093.db2.gz HXQMOCYFCCGDEL-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP CC1CCC(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000352546664 394015154 /nfs/dbraw/zinc/01/51/54/394015154.db2.gz YOHZVFNIDIGKJU-UYSNPLJNSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc[nH+]1 ZINC000488723687 394038793 /nfs/dbraw/zinc/03/87/93/394038793.db2.gz RBRKBHZCOOMMAO-HEHGZKQESA-N 2 0 259.397 2.557 20 0 CFADRP CC(C)(C)c1cc(NCCCC[NH3+])nc(C(C)(C)C)n1 ZINC000420230187 394100462 /nfs/dbraw/zinc/10/04/62/394100462.db2.gz IBPCCFCKVLJQNE-UHFFFAOYSA-N 2 0 278.444 2.644 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000127203779 394045656 /nfs/dbraw/zinc/04/56/56/394045656.db2.gz KCXJCKGIHWHINU-HOCLYGCPSA-N 2 0 258.409 2.791 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cn(C)c2c1 ZINC000437104201 394046722 /nfs/dbraw/zinc/04/67/22/394046722.db2.gz NPOPJWNGNTZKIG-YJBOKZPZSA-N 2 0 299.462 2.959 20 0 CFADRP COCC1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000419729416 394061654 /nfs/dbraw/zinc/06/16/54/394061654.db2.gz NLRCOEYNYYCFOG-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000279830803 394068988 /nfs/dbraw/zinc/06/89/88/394068988.db2.gz YZBKIORUNXAPQH-MPGHIAIKSA-N 2 0 288.435 2.837 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000279810159 394069055 /nfs/dbraw/zinc/06/90/55/394069055.db2.gz XFDLUSCMXUDDGY-YOEHRIQHSA-N 2 0 274.408 2.614 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC000437703827 394070115 /nfs/dbraw/zinc/07/01/15/394070115.db2.gz WVFOYUFXMOMRAP-QZTJIDSGSA-N 2 0 294.483 2.857 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000356028960 394073631 /nfs/dbraw/zinc/07/36/31/394073631.db2.gz MWPXQZZSTJTFSG-CVEARBPZSA-N 2 0 297.487 2.534 20 0 CFADRP COc1cccc2c1ncc(C)c2NCCCC[NH3+] ZINC000420240313 394103545 /nfs/dbraw/zinc/10/35/45/394103545.db2.gz UHTGHJFHJQXJHK-UHFFFAOYSA-N 2 0 259.353 2.703 20 0 CFADRP COc1cccc2c(NCCCC[NH3+])cc(C)nc12 ZINC000420244119 394103901 /nfs/dbraw/zinc/10/39/01/394103901.db2.gz YKTLMUXBZBUYEJ-UHFFFAOYSA-N 2 0 259.353 2.703 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000356842685 394081066 /nfs/dbraw/zinc/08/10/66/394081066.db2.gz LGDKDSZHXYKVSU-ZACQAIPSSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCOC1 ZINC000358345379 394105083 /nfs/dbraw/zinc/10/50/83/394105083.db2.gz NQXNLSUOFUKGPU-ZACQAIPSSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358055526 394096041 /nfs/dbraw/zinc/09/60/41/394096041.db2.gz BVLJMLGWPQCVAI-GLJUWKHASA-N 2 0 272.436 2.720 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCC(O)CC2)C1 ZINC000353444458 394030426 /nfs/dbraw/zinc/03/04/26/394030426.db2.gz UVRCMHFIRGNLLS-JUVOFCAFSA-N 2 0 282.472 2.638 20 0 CFADRP COCCC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000282004379 394109043 /nfs/dbraw/zinc/10/90/43/394109043.db2.gz QRKPGZBXAHFLFJ-SJORKVTESA-N 2 0 294.414 2.977 20 0 CFADRP CCCN(C[C@@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420327000 394116698 /nfs/dbraw/zinc/11/66/98/394116698.db2.gz YECDDHOKLTUEKZ-SJLPKXTDSA-N 2 0 289.467 2.710 20 0 CFADRP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314069 394116848 /nfs/dbraw/zinc/11/68/48/394116848.db2.gz YPDYJJAAOYRUBU-NUEKZKHPSA-N 2 0 276.424 2.858 20 0 CFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420354774 394118649 /nfs/dbraw/zinc/11/86/49/394118649.db2.gz DIXTVUIVCPOGSF-WMLDXEAASA-N 2 0 258.409 2.823 20 0 CFADRP C[C@@H]1CC[N@H+](CCOC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000420410152 394119809 /nfs/dbraw/zinc/11/98/09/394119809.db2.gz RDCKQYJQAHFPDM-CABCVRRESA-N 2 0 268.445 2.643 20 0 CFADRP CC(C)C[NH+]1CCC(NC2CC[NH+](C(C)C)CC2)CC1 ZINC000131233039 394128108 /nfs/dbraw/zinc/12/81/08/394128108.db2.gz UDKNBXGAYVEMOF-UHFFFAOYSA-N 2 0 281.488 2.569 20 0 CFADRP CCCCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406513 394138003 /nfs/dbraw/zinc/13/80/03/394138003.db2.gz DZQPAYIBIKNCEM-DOTOQJQBSA-N 2 0 280.456 2.752 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](C)COC)cc1 ZINC000131707344 394139262 /nfs/dbraw/zinc/13/92/62/394139262.db2.gz OVYPYHBQFLCNGA-OAHLLOKOSA-N 2 0 278.440 2.901 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881361 394140405 /nfs/dbraw/zinc/14/04/05/394140405.db2.gz ZGBKZABGRAWAJI-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1cc(N2CC[N@@H+](C)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000443429246 394142570 /nfs/dbraw/zinc/14/25/70/394142570.db2.gz KQQPXGQPTVTLTQ-GFCCVEGCSA-N 2 0 273.355 2.823 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCN(C)c2ccccc2)[C@H](C)C1 ZINC000131898454 394143134 /nfs/dbraw/zinc/14/31/34/394143134.db2.gz UCIPZNFCEZSQQC-AEFFLSMTSA-N 2 0 289.467 2.785 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CC3CCCC3)CC2)CC1 ZINC000420975991 394146046 /nfs/dbraw/zinc/14/60/46/394146046.db2.gz GLKPRMCCXLDIDO-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CCC1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000446889272 394150386 /nfs/dbraw/zinc/15/03/86/394150386.db2.gz UVGVYUMOWCUIHZ-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000447556317 394152393 /nfs/dbraw/zinc/15/23/93/394152393.db2.gz FSCLVCBDSQQUCO-HYVNUMGLSA-N 2 0 276.424 2.694 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000132845271 394164009 /nfs/dbraw/zinc/16/40/09/394164009.db2.gz HEUSLVSFWHXBOB-UHFFFAOYSA-N 2 0 297.487 2.535 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000422807528 394255684 /nfs/dbraw/zinc/25/56/84/394255684.db2.gz JWQNIZOQJVDXHX-ZNMIVQPWSA-N 2 0 256.434 2.558 20 0 CFADRP CC[C@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422835875 394256519 /nfs/dbraw/zinc/25/65/19/394256519.db2.gz JHLNJUVHZAFPES-IRXDYDNUSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000449090391 394215554 /nfs/dbraw/zinc/21/55/54/394215554.db2.gz NQMYIFATWBMMGX-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](CO)c3ccccc32)CC1 ZINC000364455880 394216464 /nfs/dbraw/zinc/21/64/64/394216464.db2.gz PVYUUTVKIUQYRN-RDTXWAMCSA-N 2 0 288.435 2.671 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCCC1 ZINC000422814359 394256943 /nfs/dbraw/zinc/25/69/43/394256943.db2.gz UMUWCZJNRPWKIR-CVEARBPZSA-N 2 0 258.409 2.968 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2(CO)CC2)CC1 ZINC000449225178 394257380 /nfs/dbraw/zinc/25/73/80/394257380.db2.gz SGMLWTRYQIIMIW-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449131074 394223542 /nfs/dbraw/zinc/22/35/42/394223542.db2.gz JXHDPRCUIMHCDI-DLBZAZTESA-N 2 0 293.499 2.572 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNCc2ccncc2F)c1 ZINC000449131235 394223603 /nfs/dbraw/zinc/22/36/03/394223603.db2.gz LAAMWGTWWDGODC-UHFFFAOYSA-N 2 0 287.382 2.962 20 0 CFADRP C[N@H+](Cc1ccc2c[nH]nc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289910651 394223827 /nfs/dbraw/zinc/22/38/27/394223827.db2.gz XEFUMDDJSZLSJV-XYPWUTKMSA-N 2 0 284.407 2.620 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCCC1 ZINC000449133617 394224490 /nfs/dbraw/zinc/22/44/90/394224490.db2.gz YYSZTYWRHMAEFX-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422886035 394257662 /nfs/dbraw/zinc/25/76/62/394257662.db2.gz VSTTZUWEJISHKK-IKGGRYGDSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000449146406 394229090 /nfs/dbraw/zinc/22/90/90/394229090.db2.gz CFQYTAHRRWLHDW-LTIDMASMSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449155915 394233413 /nfs/dbraw/zinc/23/34/13/394233413.db2.gz CLJHFHIUKVQNNO-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449155916 394233565 /nfs/dbraw/zinc/23/35/65/394233565.db2.gz CLJHFHIUKVQNNO-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422886037 394258174 /nfs/dbraw/zinc/25/81/74/394258174.db2.gz VSTTZUWEJISHKK-ZACQAIPSSA-N 3 0 281.488 2.619 20 0 CFADRP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000449161283 394235935 /nfs/dbraw/zinc/23/59/35/394235935.db2.gz FEZNVXVMXBCORE-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000422918759 394258696 /nfs/dbraw/zinc/25/86/96/394258696.db2.gz IRBYMZMMLUCZAX-SYAUCNOPSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422911354 394258846 /nfs/dbraw/zinc/25/88/46/394258846.db2.gz KMTAILVLEASVEF-RRQGHBQHSA-N 2 0 258.409 2.738 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H](C)O1 ZINC000449178334 394243579 /nfs/dbraw/zinc/24/35/79/394243579.db2.gz SHHLMTLFYIVENH-KEYYUXOJSA-N 2 0 280.456 2.939 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000421821393 394243782 /nfs/dbraw/zinc/24/37/82/394243782.db2.gz REBLIZUBDUSJNA-INIZCTEOSA-N 2 0 287.451 2.793 20 0 CFADRP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449187772 394246720 /nfs/dbraw/zinc/24/67/20/394246720.db2.gz MXGSVEZYHXXMHZ-CYBMUJFWSA-N 2 0 297.487 2.519 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000449198598 394249960 /nfs/dbraw/zinc/24/99/60/394249960.db2.gz CIVMYJOKVXHXHQ-VQCLRJIVSA-N 2 0 264.413 2.921 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449208314 394252531 /nfs/dbraw/zinc/25/25/31/394252531.db2.gz DBYXWQDKCVBGEP-HZPDHXFCSA-N 2 0 290.451 2.707 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)O1 ZINC000449218427 394255001 /nfs/dbraw/zinc/25/50/01/394255001.db2.gz ICIMPAJSFBKRQK-IIDMSEBBSA-N 2 0 288.435 2.938 20 0 CFADRP C1C[NH2+][C@@H]([C@H]2COCC[C@H]2[NH2+][C@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000422787105 394255314 /nfs/dbraw/zinc/25/53/14/394255314.db2.gz LWJRXZPMSKLVQZ-GQLSEVEHSA-N 2 0 292.467 2.702 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423003424 394261263 /nfs/dbraw/zinc/26/12/63/394261263.db2.gz HUGSGNUCWRFTLO-CAOSSQGBSA-N 2 0 270.461 2.684 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151138906 394261280 /nfs/dbraw/zinc/26/12/80/394261280.db2.gz SMIDXJWHVYGCSY-CYGHRXIMSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151138787 394261303 /nfs/dbraw/zinc/26/13/03/394261303.db2.gz SMIDXJWHVYGCSY-ATLSCFEFSA-N 2 0 293.499 2.569 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000423075199 394264121 /nfs/dbraw/zinc/26/41/21/394264121.db2.gz WFTGWFGIMUTQMU-KUQKPQIMSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccccc2OC(F)F)CC1 ZINC000423076445 394265189 /nfs/dbraw/zinc/26/51/89/394265189.db2.gz ZFQNQBWGPGIUHD-UHFFFAOYSA-N 2 0 298.377 2.938 20 0 CFADRP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423076564 394265560 /nfs/dbraw/zinc/26/55/60/394265560.db2.gz ZGQWHVUSABJBQJ-ATZDWAIDSA-N 2 0 296.414 2.633 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000423082555 394266380 /nfs/dbraw/zinc/26/63/80/394266380.db2.gz DJVBPRXMNNPKGS-MIGQKNRLSA-N 2 0 262.372 2.931 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000423083747 394267190 /nfs/dbraw/zinc/26/71/90/394267190.db2.gz GRVDGIXQMQOZKJ-BRWVUGGUSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089958 394268452 /nfs/dbraw/zinc/26/84/52/394268452.db2.gz WGLYAKGWLDAREN-RGXXSHLXSA-N 2 0 292.398 2.545 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1ccccc1F ZINC000423092670 394269724 /nfs/dbraw/zinc/26/97/24/394269724.db2.gz CWYIORRKZXHNQK-ZDUSSCGKSA-N 2 0 252.377 2.865 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140167 394271167 /nfs/dbraw/zinc/27/11/67/394271167.db2.gz XPDJOHIJAVXMSR-HZPDHXFCSA-N 3 0 267.461 2.502 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423134067 394271248 /nfs/dbraw/zinc/27/12/48/394271248.db2.gz WINKNQGWDXSUNA-APHBMKBZSA-N 2 0 296.842 2.666 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423168406 394271948 /nfs/dbraw/zinc/27/19/48/394271948.db2.gz HFKYGJVEAFGRPJ-TUUUFIMRSA-N 2 0 260.372 2.931 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423167355 394271956 /nfs/dbraw/zinc/27/19/56/394271956.db2.gz SHXIKFUHDSLBKC-ZJIFWQFVSA-N 2 0 260.381 2.678 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000423147552 394271999 /nfs/dbraw/zinc/27/19/99/394271999.db2.gz CVDKCRARIZDEAE-HRCADAONSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000423171236 394272928 /nfs/dbraw/zinc/27/29/28/394272928.db2.gz NRPNZWUBMPJUOL-JJXSEGSLSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423245449 394273818 /nfs/dbraw/zinc/27/38/18/394273818.db2.gz IXLGNIHDACUQOE-STQMWFEESA-N 2 0 279.403 2.542 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423222243 394273849 /nfs/dbraw/zinc/27/38/49/394273849.db2.gz AIFUVFYWHGRPJR-CABZTGNLSA-N 2 0 287.329 2.805 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423233934 394273922 /nfs/dbraw/zinc/27/39/22/394273922.db2.gz FAXHREWKDBNPSY-UGSOOPFHSA-N 2 0 298.434 2.968 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261388 394275053 /nfs/dbraw/zinc/27/50/53/394275053.db2.gz SCVLBMQJSGKHOH-PBHICJAKSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423283868 394276203 /nfs/dbraw/zinc/27/62/03/394276203.db2.gz FSPHGPSDWOYACT-IINYFYTJSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423339547 394277799 /nfs/dbraw/zinc/27/77/99/394277799.db2.gz VIYDVNRYBWVCKQ-ZDUSSCGKSA-N 2 0 293.430 2.932 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423351011 394277959 /nfs/dbraw/zinc/27/79/59/394277959.db2.gz YJEURIJOEAHHEJ-INMHGKMJSA-N 2 0 282.472 2.805 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423355074 394278609 /nfs/dbraw/zinc/27/86/09/394278609.db2.gz HHSSZOZVNHYDJM-SQNIBIBYSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000423372444 394278978 /nfs/dbraw/zinc/27/89/78/394278978.db2.gz GJCTUJOOSKZGKP-BGTYHANMSA-N 3 0 287.451 2.552 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423374180 394279633 /nfs/dbraw/zinc/27/96/33/394279633.db2.gz HYVDCQMFGYCAOL-MVWJERBFSA-N 2 0 267.442 2.934 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416531 394280786 /nfs/dbraw/zinc/28/07/86/394280786.db2.gz CRLROLJSXDGHCZ-FPCVCCKLSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000369728962 394281694 /nfs/dbraw/zinc/28/16/94/394281694.db2.gz FRKFQUMJKOODHC-ZIAGYGMSSA-N 2 0 268.470 2.688 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423504055 394284495 /nfs/dbraw/zinc/28/44/95/394284495.db2.gz NIOVHPVOGHOOHL-CXAGYDPISA-N 2 0 286.423 2.859 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423504728 394284524 /nfs/dbraw/zinc/28/45/24/394284524.db2.gz GJBBZWQXXFZMPH-IUGQGLEPSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423504059 394284619 /nfs/dbraw/zinc/28/46/19/394284619.db2.gz NIOVHPVOGHOOHL-GUYCJALGSA-N 2 0 286.423 2.859 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1F ZINC000423509228 394285421 /nfs/dbraw/zinc/28/54/21/394285421.db2.gz OIRQOJMLQMIYSO-XUJVJEKNSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@@H](NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423513055 394285924 /nfs/dbraw/zinc/28/59/24/394285924.db2.gz CAFHFDZWHIZGNM-MWLCHTKSSA-N 2 0 289.206 2.632 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423510601 394286537 /nfs/dbraw/zinc/28/65/37/394286537.db2.gz MQUQPFWZEIIRIW-XJKSGUPXSA-N 2 0 272.396 2.551 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1C ZINC000423515557 394287536 /nfs/dbraw/zinc/28/75/36/394287536.db2.gz AFLNKHLBDTUINL-JDFGRUFXSA-N 2 0 262.441 2.774 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423516043 394288563 /nfs/dbraw/zinc/28/85/63/394288563.db2.gz ANCWYQJHZIZWCW-LBPRGKRZSA-N 2 0 265.426 2.561 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423519637 394289078 /nfs/dbraw/zinc/28/90/78/394289078.db2.gz DHTSVPKULDDNER-ZDUSSCGKSA-N 2 0 290.407 2.641 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[NH+](C(C)C)CC1 ZINC000450353573 394290756 /nfs/dbraw/zinc/29/07/56/394290756.db2.gz ZMZZDCUALBZGCB-KRWDZBQOSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)COC2 ZINC000423532556 394292167 /nfs/dbraw/zinc/29/21/67/394292167.db2.gz VIXVKRGXCXYULM-LBPRGKRZSA-N 2 0 260.381 2.510 20 0 CFADRP C[N@H+](C[C@H]1CCC(F)(F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000450429620 394292666 /nfs/dbraw/zinc/29/26/66/394292666.db2.gz MGKCSKGASWJXBI-STQMWFEESA-N 2 0 260.372 2.695 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536096 394292920 /nfs/dbraw/zinc/29/29/20/394292920.db2.gz GMYQCEUWLIHZTK-OAHLLOKOSA-N 2 0 273.424 2.692 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536111 394293296 /nfs/dbraw/zinc/29/32/96/394293296.db2.gz GOVDAXMUGKREBM-CYBMUJFWSA-N 2 0 259.397 2.604 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000423537945 394293908 /nfs/dbraw/zinc/29/39/08/394293908.db2.gz FAFPZZXELNLALR-OKYOBFRVSA-N 2 0 284.447 2.985 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C)n1 ZINC000423540451 394294186 /nfs/dbraw/zinc/29/41/86/394294186.db2.gz DNSLNXUZBJMURC-IXDOHACOSA-N 2 0 273.424 2.709 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000423542238 394294591 /nfs/dbraw/zinc/29/45/91/394294591.db2.gz MFDHJWDRLRFGJZ-JWZBEHFJSA-N 2 0 290.838 2.785 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000423543723 394294659 /nfs/dbraw/zinc/29/46/59/394294659.db2.gz VRKPZXYVHDGQKR-GFCCVEGCSA-N 2 0 291.464 2.982 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423540939 394294834 /nfs/dbraw/zinc/29/48/34/394294834.db2.gz REQQATCBGNFCPF-CYBMUJFWSA-N 2 0 290.455 2.907 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423546094 394295598 /nfs/dbraw/zinc/29/55/98/394295598.db2.gz KENRVBSPNBVYGB-KWXGJIJISA-N 3 0 293.499 2.760 20 0 CFADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CCC[NH2+]C3CC3)C2)c1 ZINC000423553058 394296488 /nfs/dbraw/zinc/29/64/88/394296488.db2.gz KEMZUMVHLFPEJW-WMLDXEAASA-N 2 0 273.424 2.840 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000423552462 394296517 /nfs/dbraw/zinc/29/65/17/394296517.db2.gz UZAFWSLFPXZQSY-BPKGMFCQSA-N 2 0 294.483 2.948 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000493868905 394333921 /nfs/dbraw/zinc/33/39/21/394333921.db2.gz ATZAUTYQUSWJTQ-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155036404 394308374 /nfs/dbraw/zinc/30/83/74/394308374.db2.gz KKXJZSGDCMBXPH-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC[C@H](C)O)CC1)CC(C)C ZINC000450654088 394310334 /nfs/dbraw/zinc/31/03/34/394310334.db2.gz UVQSPUBMDIQYES-INIZCTEOSA-N 2 0 284.488 2.837 20 0 CFADRP CCCc1csc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000494096498 394340617 /nfs/dbraw/zinc/34/06/17/394340617.db2.gz BHNRENZNYYIFOO-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP CCCc1csc(C[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000494181710 394343796 /nfs/dbraw/zinc/34/37/96/394343796.db2.gz DSOORZNYDAPRQZ-UHFFFAOYSA-N 2 0 281.469 2.917 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ccncc2)C1 ZINC000450998973 394345614 /nfs/dbraw/zinc/34/56/14/394345614.db2.gz BMWZSVOWCYBXCQ-SJORKVTESA-N 2 0 273.424 2.745 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CSc3ccccc32)CC[N@@H+]1C ZINC000158175585 394355096 /nfs/dbraw/zinc/35/50/96/394355096.db2.gz DDXMSSHWHQVESU-MCIONIFRSA-N 2 0 276.449 2.948 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000453376781 394392245 /nfs/dbraw/zinc/39/22/45/394392245.db2.gz UXCYMFKTYOEMNP-DKIMLUQUSA-N 2 0 294.483 2.759 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000159216602 394364647 /nfs/dbraw/zinc/36/46/47/394364647.db2.gz MDGXBMJAPDDKCU-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500128288 394365909 /nfs/dbraw/zinc/36/59/09/394365909.db2.gz XXCRVKNJZKSDPT-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519615351 394372201 /nfs/dbraw/zinc/37/22/01/394372201.db2.gz ZZPSTDIIKSQLTD-SJLPKXTDSA-N 2 0 272.436 2.941 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCC2CCCC2)[C@@H](C)C1 ZINC000453384103 394393429 /nfs/dbraw/zinc/39/34/29/394393429.db2.gz CLSBKAIUTBBGLA-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc[nH+]1 ZINC000528118395 394393662 /nfs/dbraw/zinc/39/36/62/394393662.db2.gz QFOAESKCSDYBOI-MRXNPFEDSA-N 2 0 259.397 2.631 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453306913 394383722 /nfs/dbraw/zinc/38/37/22/394383722.db2.gz KJXVEUPELGYEEE-NXHRZFHOSA-N 2 0 287.451 2.785 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000453344808 394388373 /nfs/dbraw/zinc/38/83/73/394388373.db2.gz JFSYWOZYONFIOL-CZUORRHYSA-N 2 0 264.388 2.606 20 0 CFADRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC000453348745 394388904 /nfs/dbraw/zinc/38/89/04/394388904.db2.gz LHHFLBMQGDJCMV-NPYXIHBLSA-N 2 0 273.424 2.994 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453416098 394400596 /nfs/dbraw/zinc/40/05/96/394400596.db2.gz JUZHDDMXUKZSJS-NTZNESFSSA-N 2 0 260.372 2.740 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000453406896 394398532 /nfs/dbraw/zinc/39/85/32/394398532.db2.gz GBOUIGBKYYQURK-CQSZACIVSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000453410580 394399152 /nfs/dbraw/zinc/39/91/52/394399152.db2.gz IAXNCODLAJKOMU-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529565009 394410849 /nfs/dbraw/zinc/41/08/49/394410849.db2.gz IFLNFGRIJAYURZ-NEPJUHHUSA-N 2 0 260.372 2.740 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527860025 394418004 /nfs/dbraw/zinc/41/80/04/394418004.db2.gz TZXMUHDNOBNSGE-SOUVJXGZSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528009196 394438674 /nfs/dbraw/zinc/43/86/74/394438674.db2.gz HGDNFWORUVHFOP-QGZVFWFLSA-N 2 0 293.499 2.856 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410914 394514028 /nfs/dbraw/zinc/51/40/28/394514028.db2.gz BWULYLCNFOVMTB-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179084 394473629 /nfs/dbraw/zinc/47/36/29/394473629.db2.gz PDOKOMOSSPZSQM-ZJUUUORDSA-N 2 0 250.308 2.592 20 0 CFADRP CC(C)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000530214097 394482548 /nfs/dbraw/zinc/48/25/48/394482548.db2.gz XTMUADKRYIXHQU-JCGIZDLHSA-N 2 0 290.451 2.727 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CCc2ccccc2CC1 ZINC000530213724 394483250 /nfs/dbraw/zinc/48/32/50/394483250.db2.gz VRDXJECSCHJMLM-KBPBESRZSA-N 2 0 260.425 2.897 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217164 394484891 /nfs/dbraw/zinc/48/48/91/394484891.db2.gz SCOFCOWXMFUZTM-QGZVFWFLSA-N 2 0 270.420 2.808 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000530218979 394485817 /nfs/dbraw/zinc/48/58/17/394485817.db2.gz OIRZAABMURDUTK-LLVKDONJSA-N 2 0 287.329 2.661 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2n1 ZINC000530221689 394488764 /nfs/dbraw/zinc/48/87/64/394488764.db2.gz XDIORQLTIKYNPY-IXDOHACOSA-N 2 0 298.434 2.584 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000530224109 394489946 /nfs/dbraw/zinc/48/99/46/394489946.db2.gz KXYZRIRPSJGHFG-RPCCPQHDSA-N 2 0 294.414 2.818 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226331 394490508 /nfs/dbraw/zinc/49/05/08/394490508.db2.gz ZUJVKPNPBJXSKF-IAGOWNOFSA-N 2 0 270.420 2.882 20 0 CFADRP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000530232407 394493008 /nfs/dbraw/zinc/49/30/08/394493008.db2.gz OVOSXSUASZRELE-BXUZGUMPSA-N 2 0 250.361 2.741 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000536607166 394562422 /nfs/dbraw/zinc/56/24/22/394562422.db2.gz XIEVOFDOKUVIJS-KRWDZBQOSA-N 2 0 288.435 2.766 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000536841389 394572940 /nfs/dbraw/zinc/57/29/40/394572940.db2.gz ZWZBLUNQWMIMIZ-RLFYNMQTSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537306184 394579287 /nfs/dbraw/zinc/57/92/87/394579287.db2.gz CLSCPVZCHXIODJ-CQSZACIVSA-N 2 0 276.399 2.998 20 0 CFADRP C([C@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1)[NH+]1CCCC1 ZINC000530463666 394519428 /nfs/dbraw/zinc/51/94/28/394519428.db2.gz ZPVPSVDKWNXFIH-IAGOWNOFSA-N 2 0 292.467 2.896 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000530463663 394519477 /nfs/dbraw/zinc/51/94/77/394519477.db2.gz ZPVPSVDKWNXFIH-DLBZAZTESA-N 2 0 292.467 2.896 20 0 CFADRP Cc1cccc(OCC[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000536067809 394551568 /nfs/dbraw/zinc/55/15/68/394551568.db2.gz BHDLYRCMZNWHIM-HNNXBMFYSA-N 2 0 285.391 2.597 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000540522704 394648992 /nfs/dbraw/zinc/64/89/92/394648992.db2.gz VUXKSJBWGZMVOV-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000543407242 394729294 /nfs/dbraw/zinc/72/92/94/394729294.db2.gz QJOTUPWUSXLJMH-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000544357651 394757019 /nfs/dbraw/zinc/75/70/19/394757019.db2.gz VWCHIVDADNQSRV-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP COC[C@@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826197 394894200 /nfs/dbraw/zinc/89/42/00/394894200.db2.gz XLHGIOGRCLHVSH-BFYDXBDKSA-N 2 0 276.424 2.522 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826200 394894264 /nfs/dbraw/zinc/89/42/64/394894264.db2.gz XLHGIOGRCLHVSH-VYDXJSESSA-N 2 0 276.424 2.522 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166174415 542958648 /nfs/dbraw/zinc/95/86/48/542958648.db2.gz KTKUKJFDOXKEBP-ZWKOTPCHSA-N 3 0 293.499 2.715 20 0 CFADRP FC[C@@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@H]1CF ZINC000555696673 394981687 /nfs/dbraw/zinc/98/16/87/394981687.db2.gz CAJVEYLGPDVNMS-KBPBESRZSA-N 2 0 260.372 2.634 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000555759731 394982470 /nfs/dbraw/zinc/98/24/70/394982470.db2.gz QZZUAJOSUXUMIS-LSDHHAIUSA-N 2 0 296.480 2.770 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000556782345 395014933 /nfs/dbraw/zinc/01/49/33/395014933.db2.gz IQZUWSOEUDKCTK-CABCVRRESA-N 2 0 264.413 2.922 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@H]3C(C)=CCC[C@@H]3C)[C@H]2C1 ZINC000556928996 395024975 /nfs/dbraw/zinc/02/49/75/395024975.db2.gz QEKSFTASNBTKPK-XLAORIBOSA-N 2 0 292.467 2.774 20 0 CFADRP COC1(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CCC1 ZINC000555337419 394972179 /nfs/dbraw/zinc/97/21/79/394972179.db2.gz QSVIEFPRNUCICE-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3(C)CC3)CC2)C[C@@H](C)O1 ZINC000555595035 394977212 /nfs/dbraw/zinc/97/72/12/394977212.db2.gz BFNYGVOIRVCGFG-HZPDHXFCSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3(C)CC3)CC2)C[C@H](C)O1 ZINC000555595346 394977708 /nfs/dbraw/zinc/97/77/08/394977708.db2.gz VEXUZXTWHCVEIQ-GASCZTMLSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cscc1Br ZINC000285453014 542969252 /nfs/dbraw/zinc/96/92/52/542969252.db2.gz MJIYMUYYGAOANG-UHFFFAOYSA-N 2 0 291.258 2.942 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000557266101 395033866 /nfs/dbraw/zinc/03/38/66/395033866.db2.gz LMLOBQUIZALNAL-UOVPBQLFSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000648406579 395129078 /nfs/dbraw/zinc/12/90/78/395129078.db2.gz VDXQBCOYPOOOIH-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648450893 395149324 /nfs/dbraw/zinc/14/93/24/395149324.db2.gz SYAQMOHZPURZOX-MAUKXSAKSA-N 2 0 272.436 2.865 20 0 CFADRP CCC[NH+](CCC)CCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647151153 395183133 /nfs/dbraw/zinc/18/31/33/395183133.db2.gz YOMLTBXCHZSNPI-ZDUSSCGKSA-N 2 0 280.416 2.549 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccncc1 ZINC000647304339 395281309 /nfs/dbraw/zinc/28/13/09/395281309.db2.gz HRBXDLHGUPNMIU-HOCLYGCPSA-N 2 0 263.429 2.956 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc2n(n1)CCCC2 ZINC000647307150 395283810 /nfs/dbraw/zinc/28/38/10/395283810.db2.gz SWNBOZLIUKEUPN-AWEZNQCLSA-N 2 0 290.455 2.744 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H](C)C1 ZINC000648817846 395325746 /nfs/dbraw/zinc/32/57/46/395325746.db2.gz DOLOFRQIQQFWHA-RYSNWHEDSA-N 2 0 290.398 2.857 20 0 CFADRP CC[C@@H](C)C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249295 395256441 /nfs/dbraw/zinc/25/64/41/395256441.db2.gz PZAXRWLJZDIRHA-OIISXLGYSA-N 2 0 260.425 2.968 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647256771 395261054 /nfs/dbraw/zinc/26/10/54/395261054.db2.gz HJKGALXJUAZRQP-OFQRWUPVSA-N 2 0 282.391 2.854 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497479 395360637 /nfs/dbraw/zinc/36/06/37/395360637.db2.gz JGWKHULFCDPCFX-UAGQMJEPSA-N 2 0 260.425 2.924 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[C@H]1[NH3+] ZINC000647498566 395362908 /nfs/dbraw/zinc/36/29/08/395362908.db2.gz KEOQYUHBYITHHO-WMLDXEAASA-N 2 0 298.434 2.944 20 0 CFADRP CC[C@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647498820 395364242 /nfs/dbraw/zinc/36/42/42/395364242.db2.gz RKAPPSMKXOHUPO-BBRMVZONSA-N 2 0 269.392 2.794 20 0 CFADRP C[N@H+](Cc1ccc2cnccc2c1)CC(C)(C)C[NH3+] ZINC000647505543 395365549 /nfs/dbraw/zinc/36/55/49/395365549.db2.gz FRDPYPTUCORMGK-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000647518309 395372826 /nfs/dbraw/zinc/37/28/26/395372826.db2.gz YZOJKTXYHKDQQS-WBVHZDCISA-N 2 0 287.451 2.717 20 0 CFADRP Cc1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542680 395384451 /nfs/dbraw/zinc/38/44/51/395384451.db2.gz AAUXGVKEJMNJKS-JKSUJKDBSA-N 2 0 273.424 2.602 20 0 CFADRP CC(C)(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000647542483 395384939 /nfs/dbraw/zinc/38/49/39/395384939.db2.gz XOVDUICLCUCHTF-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP CCCn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543625 395384979 /nfs/dbraw/zinc/38/49/79/395384979.db2.gz QLOFFQYCYUTSQR-DLBZAZTESA-N 2 0 290.455 2.505 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c1)NCC2 ZINC000647543838 395386056 /nfs/dbraw/zinc/38/60/56/395386056.db2.gz STQKVKHSQMRSBP-IAGOWNOFSA-N 2 0 299.462 2.866 20 0 CFADRP Fc1cccc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647548732 395387163 /nfs/dbraw/zinc/38/71/63/395387163.db2.gz SCLKQZULXXFRCH-BFYDXBDKSA-N 2 0 276.399 2.736 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549245 395388587 /nfs/dbraw/zinc/38/85/87/395388587.db2.gz PAGAEHDNBVDLQO-MWDXBVQZSA-N 2 0 288.435 2.740 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CNC[C@@H](C)C3)CC2)CC1 ZINC000647550885 395389461 /nfs/dbraw/zinc/38/94/61/395389461.db2.gz MXAGSMJGEFALNN-NALMEZQBSA-N 2 0 293.499 2.617 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1C1CCCCC1 ZINC000647551107 395390424 /nfs/dbraw/zinc/39/04/24/395390424.db2.gz YCIMQLAZYVWUNR-BIVLZKPYSA-N 2 0 262.441 2.933 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000647552721 395390752 /nfs/dbraw/zinc/39/07/52/395390752.db2.gz SGXARKUAHMOAMG-STQMWFEESA-N 2 0 280.412 2.699 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647551687 395390974 /nfs/dbraw/zinc/39/09/74/395390974.db2.gz CHKTXNWUSNMTAQ-OFQRWUPVSA-N 2 0 287.451 2.857 20 0 CFADRP COc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1F ZINC000647553142 395391857 /nfs/dbraw/zinc/39/18/57/395391857.db2.gz CJYNLAPYDGUUFX-UHFFFAOYSA-N 2 0 274.339 2.583 20 0 CFADRP Fc1cccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC000647553054 395392405 /nfs/dbraw/zinc/39/24/05/395392405.db2.gz YBTDQVRCDGBXIF-CYBMUJFWSA-N 2 0 262.372 2.794 20 0 CFADRP COc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)[C@@H](C)C2CC2)cc1 ZINC000647873413 395448988 /nfs/dbraw/zinc/44/89/88/395448988.db2.gz HGXSGWAVVTZYEY-HOCLYGCPSA-N 2 0 288.435 2.905 20 0 CFADRP c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647876116 395449329 /nfs/dbraw/zinc/44/93/29/395449329.db2.gz QDQHTISPWGLJDM-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000647988378 395473492 /nfs/dbraw/zinc/47/34/92/395473492.db2.gz BPMCYRJCVZZEMP-GJZGRUSLSA-N 2 0 298.434 2.660 20 0 CFADRP C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647880939 395450825 /nfs/dbraw/zinc/45/08/25/395450825.db2.gz HMWBQSWIZBZFJX-OAHLLOKOSA-N 2 0 298.434 2.551 20 0 CFADRP COc1ccc(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647883371 395451441 /nfs/dbraw/zinc/45/14/41/395451441.db2.gz KWADQBCMVXWBLX-QGZVFWFLSA-N 2 0 288.435 2.559 20 0 CFADRP Cc1ccc(C[N@@H+](C[C@H]2CC[NH2+]C2)C(C)C)s1 ZINC000647882191 395451449 /nfs/dbraw/zinc/45/14/49/395451449.db2.gz UHRKZGBLYYSLFL-ZDUSSCGKSA-N 2 0 252.427 2.876 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000647881580 395451620 /nfs/dbraw/zinc/45/16/20/395451620.db2.gz NWRFWICOLPNZLT-QAPCUYQASA-N 2 0 272.436 2.865 20 0 CFADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647884100 395452215 /nfs/dbraw/zinc/45/22/15/395452215.db2.gz HJWHRVCFDXBNFH-WBVHZDCISA-N 2 0 258.409 2.611 20 0 CFADRP CC1CCC(OC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000647884556 395452525 /nfs/dbraw/zinc/45/25/25/395452525.db2.gz DWWKUGBVXPIXKY-PCKAHOCUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647886020 395453565 /nfs/dbraw/zinc/45/35/65/395453565.db2.gz FQSQUOSFLSPIAH-JSGCOSHPSA-N 2 0 266.816 2.812 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647890043 395453967 /nfs/dbraw/zinc/45/39/67/395453967.db2.gz IRGHWLHNQPRTSB-RDJZCZTQSA-N 2 0 278.415 2.934 20 0 CFADRP CC(C)CO[C@@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647891435 395454766 /nfs/dbraw/zinc/45/47/66/395454766.db2.gz BFJYSJVKPIQKAA-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649331777 395473882 /nfs/dbraw/zinc/47/38/82/395473882.db2.gz WGFAHWNDKBDWFE-AWEZNQCLSA-N 2 0 297.487 2.521 20 0 CFADRP CC1([NH3+])CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000647924051 395458656 /nfs/dbraw/zinc/45/86/56/395458656.db2.gz AROLCLLCXISWAF-UHFFFAOYSA-N 2 0 286.778 2.671 20 0 CFADRP CC1([NH3+])CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000647924166 395458795 /nfs/dbraw/zinc/45/87/95/395458795.db2.gz KOFPHUSTHATIMG-UHFFFAOYSA-N 2 0 254.324 2.937 20 0 CFADRP COc1cc(Cl)ccc1CN1CCC(C)([NH3+])CC1 ZINC000647924263 395458896 /nfs/dbraw/zinc/45/88/96/395458896.db2.gz SKVPAMSFZJERGK-UHFFFAOYSA-N 2 0 268.788 2.662 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2c(C)cccc2C)CC[C@H]1[NH3+] ZINC000647934469 395461069 /nfs/dbraw/zinc/46/10/69/395461069.db2.gz GOLBFBYYRPWXRH-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP CC[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@H]2C)CC[C@@H]1[NH3+] ZINC000647937346 395462235 /nfs/dbraw/zinc/46/22/35/395462235.db2.gz WHRSLGKQFFLTEL-LVQVYYBASA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000647970057 395471065 /nfs/dbraw/zinc/47/10/65/395471065.db2.gz AEEUZDHBXWHFRJ-RDJZCZTQSA-N 2 0 292.467 2.643 20 0 CFADRP c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)oc1C1CC1 ZINC000647977839 395471711 /nfs/dbraw/zinc/47/17/11/395471711.db2.gz IRQWWEHGOKGTAF-LSDHHAIUSA-N 2 0 289.423 2.764 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976339 395471739 /nfs/dbraw/zinc/47/17/39/395471739.db2.gz NGZBEAUMWZKJAU-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647977655 395471755 /nfs/dbraw/zinc/47/17/55/395471755.db2.gz FTQLOCFKSYFLPZ-ROUUACIJSA-N 2 0 287.451 2.726 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786646 395427952 /nfs/dbraw/zinc/42/79/52/395427952.db2.gz UUEZRDKWVMVRHS-LALPHHSUSA-N 2 0 294.826 2.826 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c[nH]c21 ZINC000647786772 395428010 /nfs/dbraw/zinc/42/80/10/395428010.db2.gz YKNKMSNAERXZKO-HYVNUMGLSA-N 2 0 297.446 2.997 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786233 395428027 /nfs/dbraw/zinc/42/80/27/395428027.db2.gz LHIKQSTYAPRDMP-SQWLQELKSA-N 2 0 292.398 2.572 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1ccccc1F ZINC000647788414 395428703 /nfs/dbraw/zinc/42/87/03/395428703.db2.gz JHUYRPVFBCWUQS-KBUPBQIOSA-N 2 0 292.398 2.571 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000647788628 395428746 /nfs/dbraw/zinc/42/87/46/395428746.db2.gz NJXYIHRZYLPZRU-BRSBDYLESA-N 2 0 294.483 2.950 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789002 395428805 /nfs/dbraw/zinc/42/88/05/395428805.db2.gz WQQQEGZMBCKZSO-ARFHVFGLSA-N 2 0 297.402 2.819 20 0 CFADRP c1ccc(C2CC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647791526 395429425 /nfs/dbraw/zinc/42/94/25/395429425.db2.gz GQPPMGSOUQJIFN-NGPICZKLSA-N 2 0 270.420 2.910 20 0 CFADRP c1c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)noc1-c1ccccc1 ZINC000647789351 395429793 /nfs/dbraw/zinc/42/97/93/395429793.db2.gz BHVVVDNXLHLHMV-BZUAXINKSA-N 2 0 297.402 2.819 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647789643 395429801 /nfs/dbraw/zinc/42/98/01/395429801.db2.gz IKOWHMFAHPYQLL-SOUVJXGZSA-N 2 0 293.480 2.752 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789455 395429815 /nfs/dbraw/zinc/42/98/15/395429815.db2.gz FWXXIFGBSYAFJW-BZUAXINKSA-N 2 0 274.408 2.563 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000647791425 395429952 /nfs/dbraw/zinc/42/99/52/395429952.db2.gz CSVQEBGNJSZASF-FAXLKDOZSA-N 2 0 290.382 2.627 20 0 CFADRP Clc1ccccc1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793641 395430298 /nfs/dbraw/zinc/43/02/98/395430298.db2.gz CKMOOHRHYBZJBX-BFHYXJOUSA-N 2 0 294.826 2.697 20 0 CFADRP Fc1cccc(NCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793992 395431203 /nfs/dbraw/zinc/43/12/03/395431203.db2.gz NVDBDPICJKGOGB-JKIFEVAISA-N 2 0 291.414 2.605 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794332 395431546 /nfs/dbraw/zinc/43/15/46/395431546.db2.gz YJCCADWYIVWAEZ-QLFBSQMISA-N 2 0 291.414 2.605 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647798754 395432936 /nfs/dbraw/zinc/43/29/36/395432936.db2.gz WHPAAJRFXRAPLP-BZUAXINKSA-N 2 0 276.399 2.654 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800598 395433873 /nfs/dbraw/zinc/43/38/73/395433873.db2.gz HBLXRRCGCBOBLA-RWMBFGLXSA-N 2 0 280.437 2.645 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647803247 395435425 /nfs/dbraw/zinc/43/54/25/395435425.db2.gz PIPSDNCOHSKVAT-GFCCVEGCSA-N 2 0 260.406 2.928 20 0 CFADRP C[C@H]([NH2+]CCCC1CC[NH2+]CC1)c1cncc(F)c1 ZINC000647802661 395435465 /nfs/dbraw/zinc/43/54/65/395435465.db2.gz SDIFNONTIUQKTM-LBPRGKRZSA-N 2 0 265.376 2.651 20 0 CFADRP C[NH+](C)C1(CNc2[nH+]ccc3[nH]ccc32)CCCC1 ZINC000647855345 395445552 /nfs/dbraw/zinc/44/55/52/395445552.db2.gz DFWFLNQQQNWZDL-UHFFFAOYSA-N 2 0 258.369 2.849 20 0 CFADRP CCN(CCC[NH+]1CCCC1)Cc1ccnn1CC(C)C ZINC000648035533 395486578 /nfs/dbraw/zinc/48/65/78/395486578.db2.gz GSNOECURRVGOAI-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP CN(CC[N@H+](C)CCCC1CC[NH2+]CC1)c1ccccc1 ZINC000649412926 395489207 /nfs/dbraw/zinc/48/92/07/395489207.db2.gz FBBGKIDJASIPOW-UHFFFAOYSA-N 2 0 289.467 2.834 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)nc1 ZINC000649411561 395489445 /nfs/dbraw/zinc/48/94/45/395489445.db2.gz GGTRGXGAZYIYFS-INIZCTEOSA-N 2 0 259.397 2.608 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649418188 395490637 /nfs/dbraw/zinc/49/06/37/395490637.db2.gz FSODRFYDSJIHIL-KBPBESRZSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@@H]([NH2+]CCCN(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037209273 543027536 /nfs/dbraw/zinc/02/75/36/543027536.db2.gz PAFURFOIRMJFHP-MRXNPFEDSA-N 2 0 289.467 2.833 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221714 543027562 /nfs/dbraw/zinc/02/75/62/543027562.db2.gz PBYVRPUUEVTIJV-YOEHRIQHSA-N 2 0 283.504 2.673 20 0 CFADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000037221216 543027744 /nfs/dbraw/zinc/02/77/44/543027744.db2.gz SFNQTPZRFIAADY-CYBMUJFWSA-N 3 0 281.488 2.616 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037221271 543027857 /nfs/dbraw/zinc/02/78/57/543027857.db2.gz XCKMXDKZYYFYGK-KBPBESRZSA-N 2 0 264.413 2.921 20 0 CFADRP CCCCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)C ZINC000311093175 413086514 /nfs/dbraw/zinc/08/65/14/413086514.db2.gz ZHPWQEUBGTVZMA-HNNXBMFYSA-N 2 0 258.450 2.588 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000311468474 413086980 /nfs/dbraw/zinc/08/69/80/413086980.db2.gz NWXZEBVDMIMFOU-IRXDYDNUSA-N 2 0 258.409 2.864 20 0 CFADRP c1ccc(C2CC2)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000311580893 413088471 /nfs/dbraw/zinc/08/84/71/413088471.db2.gz HVYKVLALZHCPIY-KRWDZBQOSA-N 2 0 256.393 2.749 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000340534313 292077791 /nfs/dbraw/zinc/07/77/91/292077791.db2.gz KDTAGNXPBURZEO-LSDHHAIUSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401097673 413161119 /nfs/dbraw/zinc/16/11/19/413161119.db2.gz BRGQKAHPXPISAW-GVDBMIGSSA-N 2 0 258.409 2.515 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000401004470 413159908 /nfs/dbraw/zinc/15/99/08/413159908.db2.gz CXAZLPXUUXCLIY-RRFJBIMHSA-N 2 0 250.430 2.935 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000401164538 413163177 /nfs/dbraw/zinc/16/31/77/413163177.db2.gz URYBWEFLNMKKND-BRWVUGGUSA-N 3 0 293.499 2.619 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000038000161 397551300 /nfs/dbraw/zinc/55/13/00/397551300.db2.gz YCEYBAMOHYYVRC-WBVHZDCISA-N 2 0 274.408 2.659 20 0 CFADRP c1ccc(C(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000388780764 397538450 /nfs/dbraw/zinc/53/84/50/397538450.db2.gz WAXYWGLETBMBDT-OALUTQOASA-N 2 0 292.426 2.970 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036992856 397544131 /nfs/dbraw/zinc/54/41/31/397544131.db2.gz ACJVTCSAJODATF-FUDCBSFHSA-N 2 0 264.438 2.894 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000037715506 397547149 /nfs/dbraw/zinc/54/71/49/397547149.db2.gz IFNLTOUBFAYUJX-GFCCVEGCSA-N 2 0 254.374 2.691 20 0 CFADRP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000124770601 397601439 /nfs/dbraw/zinc/60/14/39/397601439.db2.gz HDXUSRHFVGFHAC-QGZVFWFLSA-N 2 0 293.499 2.715 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC(C)(C)CC)CC1 ZINC000650277385 397741324 /nfs/dbraw/zinc/74/13/24/397741324.db2.gz UVUZVNGSYCUXLX-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759137 397885390 /nfs/dbraw/zinc/88/53/90/397885390.db2.gz DQRDIAXFDGTFRU-PVAVHDDUSA-N 2 0 287.451 2.781 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000650761774 397886956 /nfs/dbraw/zinc/88/69/56/397886956.db2.gz KOMUHZUMOJKPMN-QGZVFWFLSA-N 2 0 274.408 2.749 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000650761745 397886959 /nfs/dbraw/zinc/88/69/59/397886959.db2.gz JGLYCRRHRUGNGT-INIZCTEOSA-N 2 0 250.430 2.935 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C12CCCC2 ZINC000650762504 397886994 /nfs/dbraw/zinc/88/69/94/397886994.db2.gz CEALEKFFJVOKEO-JKSUJKDBSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C12CCCC2 ZINC000650762503 397887061 /nfs/dbraw/zinc/88/70/61/397887061.db2.gz CEALEKFFJVOKEO-HZPDHXFCSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705360 397860457 /nfs/dbraw/zinc/86/04/57/397860457.db2.gz FHGXFCISEHMYTQ-KSZLIROESA-N 2 0 288.435 2.713 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707073 397860797 /nfs/dbraw/zinc/86/07/97/397860797.db2.gz XWNMUZSQHUSGLG-SQWLQELKSA-N 2 0 294.464 2.775 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000650704507 397860926 /nfs/dbraw/zinc/86/09/26/397860926.db2.gz CWVPMESTQORWNA-MRXNPFEDSA-N 2 0 290.451 2.566 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1C ZINC000650709580 397861489 /nfs/dbraw/zinc/86/14/89/397861489.db2.gz GVWVWXMCTDRPQR-RDJZCZTQSA-N 2 0 274.408 2.564 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763226 397887826 /nfs/dbraw/zinc/88/78/26/397887826.db2.gz VHURTJRCKQVOFN-HZPDHXFCSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(C)(C)C ZINC000650707753 397861873 /nfs/dbraw/zinc/86/18/73/397861873.db2.gz MILFNCHOCACHJZ-QXSJWSMHSA-N 2 0 282.472 2.887 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000650763538 397887869 /nfs/dbraw/zinc/88/78/69/397887869.db2.gz CXDHCMKQCMJDFO-GFCCVEGCSA-N 2 0 250.361 2.866 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccnc1 ZINC000650762760 397887897 /nfs/dbraw/zinc/88/78/97/397887897.db2.gz JGYHXPOFCFMCMP-MRXNPFEDSA-N 2 0 261.413 2.758 20 0 CFADRP CC[N@H+](CCC[NH2+]CC1CC[NH2+]CC1)C1CCCCC1 ZINC000650710166 397863224 /nfs/dbraw/zinc/86/32/24/397863224.db2.gz GONJGMZVKJZHGM-UHFFFAOYSA-N 3 0 281.488 2.620 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763225 397887934 /nfs/dbraw/zinc/88/79/34/397887934.db2.gz VHURTJRCKQVOFN-HOTGVXAUSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1cccn2c(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cnc12 ZINC000650711306 397863571 /nfs/dbraw/zinc/86/35/71/397863571.db2.gz PAVWDCTUGDHASO-CJNGLKHVSA-N 2 0 286.423 2.592 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000650711123 397864136 /nfs/dbraw/zinc/86/41/36/397864136.db2.gz JHURQSQJEDKJIE-DGCLKSJQSA-N 2 0 267.442 2.655 20 0 CFADRP Cc1cccc2ncc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n21 ZINC000650710896 397864282 /nfs/dbraw/zinc/86/42/82/397864282.db2.gz CDQSZLGJPIFEDL-XJKSGUPXSA-N 2 0 286.423 2.592 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650713067 397864831 /nfs/dbraw/zinc/86/48/31/397864831.db2.gz CVCMBZSPXCLTRX-WBVHZDCISA-N 3 0 287.451 2.541 20 0 CFADRP Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000650713805 397865452 /nfs/dbraw/zinc/86/54/52/397865452.db2.gz COZFYXIMDIAVOK-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714011 397865906 /nfs/dbraw/zinc/86/59/06/397865906.db2.gz MTEIVMMTIVCUGH-SNVBAGLBSA-N 2 0 252.324 2.826 20 0 CFADRP CCO[C@@H]1C[N@H+](C[C@H](c2ccccc2)C(C)C)C[C@H]1C[NH3+] ZINC000650714395 397865928 /nfs/dbraw/zinc/86/59/28/397865928.db2.gz AHHTXZJSNJQMIF-FGTMMUONSA-N 2 0 290.451 2.722 20 0 CFADRP COCc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650717458 397867851 /nfs/dbraw/zinc/86/78/51/397867851.db2.gz BEDYKHLSBCXYOG-UHFFFAOYSA-N 2 0 288.366 2.721 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763599 397888553 /nfs/dbraw/zinc/88/85/53/397888553.db2.gz FEBNRGOCUWGCRQ-CYBMUJFWSA-N 2 0 250.386 2.580 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650721894 397870524 /nfs/dbraw/zinc/87/05/24/397870524.db2.gz FJRVCWKRUJHGGE-KFWWJZLASA-N 2 0 294.464 2.917 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650722338 397870659 /nfs/dbraw/zinc/87/06/59/397870659.db2.gz QBMCVYVDPDHCGG-KSZLIROESA-N 2 0 288.435 2.856 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccs2)C1 ZINC000650722492 397871053 /nfs/dbraw/zinc/87/10/53/397871053.db2.gz VTJVXYHKAVXVTA-VHDGCEQUSA-N 2 0 280.437 2.609 20 0 CFADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723732 397871366 /nfs/dbraw/zinc/87/13/66/397871366.db2.gz SLDQCACHPBAQER-XHSDSOJGSA-N 2 0 268.445 2.783 20 0 CFADRP CC(C)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650725036 397871381 /nfs/dbraw/zinc/87/13/81/397871381.db2.gz RVFRBUKDXMJWTH-BZUAXINKSA-N 2 0 268.445 2.783 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000650740087 397874797 /nfs/dbraw/zinc/87/47/97/397874797.db2.gz GGZOPCGJQNWLTD-FGTMMUONSA-N 2 0 295.515 2.865 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(F)c1 ZINC000650742765 397876831 /nfs/dbraw/zinc/87/68/31/397876831.db2.gz DARKSWMKAISRHE-LLVKDONJSA-N 2 0 266.360 2.614 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000650743097 397877539 /nfs/dbraw/zinc/87/75/39/397877539.db2.gz MAFPCSOXBBPPNN-SNVBAGLBSA-N 2 0 254.324 2.744 20 0 CFADRP COc1cc(F)c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650744402 397878167 /nfs/dbraw/zinc/87/81/67/397878167.db2.gz NGJUCHWQCDJUTI-LLVKDONJSA-N 2 0 296.386 2.623 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650745221 397878849 /nfs/dbraw/zinc/87/88/49/397878849.db2.gz BTIBTDPLARIUQY-OAHLLOKOSA-N 2 0 274.408 2.927 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000650745422 397878990 /nfs/dbraw/zinc/87/89/90/397878990.db2.gz GOSPMRZBKXWUSV-CQSZACIVSA-N 2 0 278.371 2.758 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650746413 397879316 /nfs/dbraw/zinc/87/93/16/397879316.db2.gz BQEBZDPQEGKRSR-CQSZACIVSA-N 2 0 278.371 2.540 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000650746633 397879743 /nfs/dbraw/zinc/87/97/43/397879743.db2.gz HDYLUUVOCVQDJM-OAHLLOKOSA-N 2 0 259.397 2.652 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)[C@H]2CCCO[C@H]21 ZINC000650754810 397883667 /nfs/dbraw/zinc/88/36/67/397883667.db2.gz RSZDHBQWKDTNIT-FVQBIDKESA-N 2 0 292.398 2.578 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](CC)CO1 ZINC000403886799 413182545 /nfs/dbraw/zinc/18/25/45/413182545.db2.gz VLWBLBKKCLBOPU-ROUUACIJSA-N 2 0 288.435 2.722 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422764474 296576578 /nfs/dbraw/zinc/57/65/78/296576578.db2.gz UZKCEBPUYYWBHN-XYPHTWIQSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000422838243 296576840 /nfs/dbraw/zinc/57/68/40/296576840.db2.gz WUMQFARGAYSTNH-GDBMZVCRSA-N 2 0 260.425 2.942 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCCC1 ZINC000421821156 292146328 /nfs/dbraw/zinc/14/63/28/292146328.db2.gz PSQPEMMZSWDXOY-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc(OC)c1 ZINC000404298699 413196171 /nfs/dbraw/zinc/19/61/71/413196171.db2.gz YJHLJVRNFVTQBV-SUMWQHHRSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000404311963 413197391 /nfs/dbraw/zinc/19/73/91/413197391.db2.gz XCVMCUBWPHHLMV-IUODEOHRSA-N 2 0 250.361 2.775 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000423086667 292153831 /nfs/dbraw/zinc/15/38/31/292153831.db2.gz NRCVCBXJLVQRIB-YHNBSYBMSA-N 2 0 268.445 2.702 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404424573 413201405 /nfs/dbraw/zinc/20/14/05/413201405.db2.gz KUHZOWNXMHELBZ-YOEHRIQHSA-N 2 0 276.424 2.782 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404400885 413202301 /nfs/dbraw/zinc/20/23/01/413202301.db2.gz RDZAPFRUYSADJJ-XJKSGUPXSA-N 2 0 292.423 2.653 20 0 CFADRP CC[C@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)[NH+](CC)CC ZINC000356162499 155175417 /nfs/dbraw/zinc/17/54/17/155175417.db2.gz GKIPQSANLYVOPI-MRXNPFEDSA-N 2 0 299.503 2.684 20 0 CFADRP Cc1cccnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782286 413219462 /nfs/dbraw/zinc/21/94/62/413219462.db2.gz DLKJMETYOAKLQS-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405587519 413221277 /nfs/dbraw/zinc/22/12/77/413221277.db2.gz LRLZJYZWOTXAEX-QZTJIDSGSA-N 2 0 284.403 2.635 20 0 CFADRP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467498 413221576 /nfs/dbraw/zinc/22/15/76/413221576.db2.gz GGAJVJPPBDXOOK-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423344219 286023704 /nfs/dbraw/zinc/02/37/04/286023704.db2.gz OCABOEMSSJEVLY-PVAVHDDUSA-N 2 0 276.424 2.742 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c1)NCC2 ZINC000656782965 413222121 /nfs/dbraw/zinc/22/21/21/413222121.db2.gz KJKCLMGZNBGFIR-KRWDZBQOSA-N 2 0 299.462 2.866 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467134 413222403 /nfs/dbraw/zinc/22/24/03/413222403.db2.gz CURWVFJUGOOUFV-YJBOKZPZSA-N 2 0 294.483 2.903 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261621466 286028770 /nfs/dbraw/zinc/02/87/70/286028770.db2.gz ABFGFKCSJCHYNR-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783806 413224535 /nfs/dbraw/zinc/22/45/35/413224535.db2.gz ABNCLNPCSDIJJA-AWEZNQCLSA-N 2 0 293.480 2.917 20 0 CFADRP CO[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037786471 286037976 /nfs/dbraw/zinc/03/79/76/286037976.db2.gz RQMNJIJHCYKUDM-CABCVRRESA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656785068 413225504 /nfs/dbraw/zinc/22/55/04/413225504.db2.gz KATHLDBLXUWKMU-CZUORRHYSA-N 2 0 261.413 2.669 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467600 413225938 /nfs/dbraw/zinc/22/59/38/413225938.db2.gz GWIQIJOVWPKIFN-ZBFHGGJFSA-N 2 0 280.456 2.513 20 0 CFADRP COc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656783910 413226167 /nfs/dbraw/zinc/22/61/67/413226167.db2.gz BGXWQOJUVRTDTJ-MRXNPFEDSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656785069 413226191 /nfs/dbraw/zinc/22/61/91/413226191.db2.gz KATHLDBLXUWKMU-XJKSGUPXSA-N 2 0 261.413 2.669 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466124 413226646 /nfs/dbraw/zinc/22/66/46/413226646.db2.gz OJDIEZXRRZAMLU-BZSNNMDCSA-N 2 0 294.483 2.903 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCC1 ZINC000422947292 286049992 /nfs/dbraw/zinc/04/99/92/286049992.db2.gz YCZRUUPYJNHQEN-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467592 413226045 /nfs/dbraw/zinc/22/60/45/413226045.db2.gz GWIQIJOVWPKIFN-GOEBONIOSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663469834 413228541 /nfs/dbraw/zinc/22/85/41/413228541.db2.gz RBGLVALJBVYEJD-GOEBONIOSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC[NH2+]1 ZINC000656790806 413233487 /nfs/dbraw/zinc/23/34/87/413233487.db2.gz BBLABDKDKMDZGZ-QBPKDAKJSA-N 2 0 280.456 2.656 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000656791726 413234816 /nfs/dbraw/zinc/23/48/16/413234816.db2.gz JGORJLPPCMSPSM-CRAIPNDOSA-N 2 0 288.435 2.658 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C)C1 ZINC000660306487 413234961 /nfs/dbraw/zinc/23/49/61/413234961.db2.gz PZTHABSSGBHUEC-JCECYMMASA-N 2 0 294.483 2.759 20 0 CFADRP Cc1ccc(CCC[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)cn1 ZINC000356351746 155236055 /nfs/dbraw/zinc/23/60/55/155236055.db2.gz AMVVDQBPTMCXLI-RHSMWYFYSA-N 2 0 276.424 2.806 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000656791731 413237368 /nfs/dbraw/zinc/23/73/68/413237368.db2.gz JGORJLPPCMSPSM-QAPCUYQASA-N 2 0 288.435 2.658 20 0 CFADRP C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000356369861 155241737 /nfs/dbraw/zinc/24/17/37/155241737.db2.gz QGSQUXGUIHKLLK-MAUKXSAKSA-N 2 0 299.418 2.855 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC([C@@H]3CCCCO3)CC2)CC[NH2+]1 ZINC000656792709 413238782 /nfs/dbraw/zinc/23/87/82/413238782.db2.gz WMKGRIXKSAIRLO-INMHGKMJSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414841333 292215556 /nfs/dbraw/zinc/21/55/56/292215556.db2.gz HVSOHNRGUZSPMB-IXDOHACOSA-N 2 0 258.409 2.973 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000663497864 413240520 /nfs/dbraw/zinc/24/05/20/413240520.db2.gz HNGXXXXTBVTWFO-CYBMUJFWSA-N 2 0 272.339 2.751 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000663499430 413244799 /nfs/dbraw/zinc/24/47/99/413244799.db2.gz KAXZWYRXKXNVJR-MRXNPFEDSA-N 2 0 286.423 2.550 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000663500716 413245322 /nfs/dbraw/zinc/24/53/22/413245322.db2.gz UHPQDUIEWYBDCJ-GFCCVEGCSA-N 2 0 292.452 2.736 20 0 CFADRP C(CC1CC[NH+](CCC2CC2)CC1)C[NH+]1CCOCC1 ZINC000356463746 155274205 /nfs/dbraw/zinc/27/42/05/155274205.db2.gz WSOAAQJIUVRIME-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000261562631 297110087 /nfs/dbraw/zinc/11/00/87/297110087.db2.gz WLFFVVLVTVYING-RTXFEEFZSA-N 2 0 250.411 2.713 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423389363 297110059 /nfs/dbraw/zinc/11/00/59/297110059.db2.gz JKBIIXFUQTUKQM-WQVCFCJDSA-N 2 0 259.397 2.510 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000663503024 413249567 /nfs/dbraw/zinc/24/95/67/413249567.db2.gz LXEOLIGZAAPDIN-SWLSCSKDSA-N 2 0 252.377 2.892 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C2 ZINC000663502347 413249799 /nfs/dbraw/zinc/24/97/99/413249799.db2.gz HAKSKJGAANSDJG-GOEBONIOSA-N 2 0 276.424 2.516 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C2 ZINC000663502346 413251550 /nfs/dbraw/zinc/25/15/50/413251550.db2.gz HAKSKJGAANSDJG-GDBMZVCRSA-N 2 0 276.424 2.516 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@@H](C)CCc1ccc(Cl)s1 ZINC000663514856 413257282 /nfs/dbraw/zinc/25/72/82/413257282.db2.gz UXQCRDQJQYFUMC-VHSXEESVSA-N 2 0 260.834 2.920 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(CC)CC ZINC000425943266 286284203 /nfs/dbraw/zinc/28/42/03/286284203.db2.gz PZVDKAMUFIIIHF-RRFJBIMHSA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C12CCCC2 ZINC000336818750 286284317 /nfs/dbraw/zinc/28/43/17/286284317.db2.gz WWTHNZLZJHKAEW-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(CC)CC ZINC000422840374 286293006 /nfs/dbraw/zinc/29/30/06/286293006.db2.gz SQTQLGHGMAITPQ-RRFJBIMHSA-N 2 0 268.445 2.702 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000436267113 286311627 /nfs/dbraw/zinc/31/16/27/286311627.db2.gz BVCLYFSEZVRREF-HNNXBMFYSA-N 2 0 291.439 2.834 20 0 CFADRP COCC1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000449128795 292263704 /nfs/dbraw/zinc/26/37/04/292263704.db2.gz ATHAWZDAKCFKFJ-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP COCC1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000449173573 292266384 /nfs/dbraw/zinc/26/63/84/292266384.db2.gz ODDMOYCCTYEURP-SSHXOBKSSA-N 2 0 268.445 2.654 20 0 CFADRP COCC1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000423195937 292265375 /nfs/dbraw/zinc/26/53/75/292265375.db2.gz YNSKFNAOUJPFSA-LTDKPHRXSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356831917 155385185 /nfs/dbraw/zinc/38/51/85/155385185.db2.gz BIWUSZNWSNZESG-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353521882 286382681 /nfs/dbraw/zinc/38/26/81/286382681.db2.gz QRFHXLLXJJZTRB-PFSRBDOWSA-N 2 0 268.445 2.652 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C12CCCC2 ZINC000423472530 286386263 /nfs/dbraw/zinc/38/62/63/286386263.db2.gz FZPKOXVDGFLSQZ-OWCLPIDISA-N 2 0 280.456 2.846 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCc4cccnc43)ccc12 ZINC000656980587 413284821 /nfs/dbraw/zinc/28/48/21/413284821.db2.gz BUJKZIGHLCABAJ-MRXNPFEDSA-N 2 0 278.359 2.897 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1(CC)CC ZINC000423541039 286399606 /nfs/dbraw/zinc/39/96/06/286399606.db2.gz KMOSKHWVXZLPSC-ZOFXXKQRSA-N 2 0 294.483 2.948 20 0 CFADRP CC[C@H](C[NH+]1CCCC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663617349 413292669 /nfs/dbraw/zinc/29/26/69/413292669.db2.gz JWCCXQRWPMQQID-GFCCVEGCSA-N 2 0 258.369 2.849 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348091930 154315883 /nfs/dbraw/zinc/31/58/83/154315883.db2.gz ZCVWZFBISWYGDL-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348245770 154378313 /nfs/dbraw/zinc/37/83/13/154378313.db2.gz OXVDHWLANGTWSV-KZNAEPCWSA-N 2 0 290.451 2.737 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCC[C@@H]1CC ZINC000181750680 286443144 /nfs/dbraw/zinc/44/31/44/286443144.db2.gz VUWOMYZZLRCWGR-XHSDSOJGSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CO)CCC(C)(C)C)CC1 ZINC000355726509 155066589 /nfs/dbraw/zinc/06/65/89/155066589.db2.gz HZVWRVWJWWOLDO-HNNXBMFYSA-N 2 0 270.461 2.638 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000357072239 155491909 /nfs/dbraw/zinc/49/19/09/155491909.db2.gz HBEDSNKZKJQPLF-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C12CCCC2 ZINC000085680765 286490911 /nfs/dbraw/zinc/49/09/11/286490911.db2.gz WWIUKFIHUKPBCR-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP COCC[N@H+](CCC1CC[NH2+]CC1)Cc1cccs1 ZINC000359200610 156020526 /nfs/dbraw/zinc/02/05/26/156020526.db2.gz GFCHANQSDDDKFZ-UHFFFAOYSA-N 2 0 282.453 2.586 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000360154021 156036165 /nfs/dbraw/zinc/03/61/65/156036165.db2.gz NEGNTCRZXODQDK-GDBMZVCRSA-N 2 0 293.430 2.582 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000360176456 156041953 /nfs/dbraw/zinc/04/19/53/156041953.db2.gz BBUIOVNJGXHPJB-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)(C[NH2+]Cc1cccc2c[nH]nc21)C[NH+]1CCCC1 ZINC000360178873 156043982 /nfs/dbraw/zinc/04/39/82/156043982.db2.gz ZDKIMUQBOGDJIS-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000362803469 156089027 /nfs/dbraw/zinc/08/90/27/156089027.db2.gz UYTGVLUFXPBGQF-ZJPYXAASSA-N 2 0 292.467 2.822 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(OCC2CC2)CC1 ZINC000363880553 156202390 /nfs/dbraw/zinc/20/23/90/156202390.db2.gz WBJGWDLODCDVIC-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000364783107 156224110 /nfs/dbraw/zinc/22/41/10/156224110.db2.gz BVQPIVRJBACIBS-IAGOWNOFSA-N 2 0 280.456 2.752 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000366838731 156243712 /nfs/dbraw/zinc/24/37/12/156243712.db2.gz ZZVRTJGKSMXGHA-HZPDHXFCSA-N 2 0 294.464 2.870 20 0 CFADRP Cc1cc(N2CCC([N@@H+](C)CC[C@@H](C)F)CC2)nc(C)n1 ZINC000367133300 156285754 /nfs/dbraw/zinc/28/57/54/156285754.db2.gz LJMOLVGPLFGDTE-GFCCVEGCSA-N 2 0 294.418 2.742 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000367598286 156357147 /nfs/dbraw/zinc/35/71/47/156357147.db2.gz QJTJPVBDIGUWAS-KSZLIROESA-N 2 0 287.451 2.785 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000367601272 156360080 /nfs/dbraw/zinc/36/00/80/156360080.db2.gz NGMXMJRDQWWYCN-MCIONIFRSA-N 2 0 279.453 2.722 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367625945 156368474 /nfs/dbraw/zinc/36/84/74/156368474.db2.gz ZWNCJFSLLVZMBM-OAGGEKHMSA-N 2 0 292.398 2.797 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000657179363 413327672 /nfs/dbraw/zinc/32/76/72/413327672.db2.gz UIBPOPGKVMKTKO-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000657182646 413332142 /nfs/dbraw/zinc/33/21/42/413332142.db2.gz FZDOQDXOEWDXCN-JKSUJKDBSA-N 2 0 288.435 2.874 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(c3nccc4c(N)cccc43)CC[C@@H]21 ZINC000663721397 413340434 /nfs/dbraw/zinc/34/04/34/413340434.db2.gz MATYVTTURWKMNC-GUYCJALGSA-N 2 0 296.418 2.738 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCC[NH+](C)C)C1 ZINC000374189125 157079604 /nfs/dbraw/zinc/07/96/04/157079604.db2.gz QHACJIPSFWQURZ-CVEARBPZSA-N 2 0 275.440 2.958 20 0 CFADRP CC(C)c1nccn1[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000374270943 157091084 /nfs/dbraw/zinc/09/10/84/157091084.db2.gz NCKZRDYMWKWAAQ-HNNXBMFYSA-N 2 0 287.411 2.577 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccco1)CC2)C1CC1 ZINC000374282105 157093312 /nfs/dbraw/zinc/09/33/12/157093312.db2.gz FESWWPLETNHDOH-AWEZNQCLSA-N 2 0 274.408 2.976 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000374526439 157124687 /nfs/dbraw/zinc/12/46/87/157124687.db2.gz IJVWQIUPEHOXCG-KYHPRHEASA-N 2 0 290.451 2.910 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000375252422 157213480 /nfs/dbraw/zinc/21/34/80/157213480.db2.gz HWXWVEMJPUNKFB-UHFFFAOYSA-N 2 0 280.456 2.755 20 0 CFADRP CC[C@@](C)(O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375447503 157243280 /nfs/dbraw/zinc/24/32/80/157243280.db2.gz HYKQDSHVSIOFFH-KZNAEPCWSA-N 2 0 290.451 2.820 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375592841 157258720 /nfs/dbraw/zinc/25/87/20/157258720.db2.gz URPFUTDYPNZGFL-HNNXBMFYSA-N 2 0 291.439 2.701 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000375767789 157282811 /nfs/dbraw/zinc/28/28/11/157282811.db2.gz IWBZJLYXKQLWJG-WBVHZDCISA-N 2 0 288.435 2.523 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000375898049 157302837 /nfs/dbraw/zinc/30/28/37/157302837.db2.gz OCQUICDCPBYZEP-BPUTZDHNSA-N 2 0 262.372 2.788 20 0 CFADRP CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902069 157303180 /nfs/dbraw/zinc/30/31/80/157303180.db2.gz MBNRENFKUYURPN-QGZVFWFLSA-N 2 0 281.488 2.667 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000375895500 157303343 /nfs/dbraw/zinc/30/33/43/157303343.db2.gz NHWNSVUODWLUCJ-WDSOQIARSA-N 2 0 299.462 2.923 20 0 CFADRP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCCCN1C1CC1 ZINC000376470480 157360376 /nfs/dbraw/zinc/36/03/76/157360376.db2.gz DDBFUHQGBUABJK-MWDXBVQZSA-N 2 0 290.451 2.551 20 0 CFADRP Cc1nccn1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376510820 157365702 /nfs/dbraw/zinc/36/57/02/157365702.db2.gz HLQAYBAZNJUGJN-XJKSGUPXSA-N 2 0 270.380 2.670 20 0 CFADRP CSCc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000423064424 286686095 /nfs/dbraw/zinc/68/60/95/286686095.db2.gz YXHDKXSWKIOSGS-NWDGAFQWSA-N 2 0 252.427 2.765 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422783144 533677364 /nfs/dbraw/zinc/67/73/64/533677364.db2.gz HCTFMHHOYZHDAE-COXVUDFISA-N 2 0 292.423 2.712 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)c(C)c1 ZINC000657290852 413404452 /nfs/dbraw/zinc/40/44/52/413404452.db2.gz ULXXYSYOYNUEAN-INIZCTEOSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000422805034 298391964 /nfs/dbraw/zinc/39/19/64/298391964.db2.gz LMQMRWSUSQQDBG-AEFFLSMTSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000336837962 298391502 /nfs/dbraw/zinc/39/15/02/298391502.db2.gz MHIHYJHEBWGFSF-HUUCEWRRSA-N 2 0 279.428 2.524 20 0 CFADRP C[C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)C[NH+](C)C ZINC000425948636 286875356 /nfs/dbraw/zinc/87/53/56/286875356.db2.gz DCBXIVNTYRSUMN-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000422769433 298399554 /nfs/dbraw/zinc/39/95/54/298399554.db2.gz UVCBFTZUYQCQHV-PBHICJAKSA-N 2 0 269.392 2.888 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000422778858 298400165 /nfs/dbraw/zinc/40/01/65/298400165.db2.gz HWPPKIZPBVSQNK-FVQBIDKESA-N 2 0 262.397 2.624 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CO1 ZINC000657311314 413430433 /nfs/dbraw/zinc/43/04/33/413430433.db2.gz JESSVMPWWPWADA-ARFHVFGLSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1nc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000657311766 413430810 /nfs/dbraw/zinc/43/08/10/413430810.db2.gz UHZIRIASUHULJA-CYBMUJFWSA-N 2 0 278.444 2.628 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CO1 ZINC000657311328 413433268 /nfs/dbraw/zinc/43/32/68/413433268.db2.gz JTUSYPXUYYIIAU-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cccnc1 ZINC000093521202 286892689 /nfs/dbraw/zinc/89/26/89/286892689.db2.gz JJFZUZYANUIWHO-GOEBONIOSA-N 2 0 261.413 2.525 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CN(C)C[C@@H]2C)C1(C)C ZINC000344316445 162005530 /nfs/dbraw/zinc/00/55/30/162005530.db2.gz ZXMHFFNXXYVMLV-LJISPDSOSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000344684188 162096180 /nfs/dbraw/zinc/09/61/80/162096180.db2.gz WUYNMBHWUDVGOT-OKILXGFUSA-N 2 0 289.423 2.560 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c(OCC2CC2)c1 ZINC000344880044 162139452 /nfs/dbraw/zinc/13/94/52/162139452.db2.gz KCZGWDBSFHGCPQ-RHSMWYFYSA-N 2 0 288.435 2.824 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000346187191 162346170 /nfs/dbraw/zinc/34/61/70/162346170.db2.gz LIGRDVYZFXWHBK-DOTOQJQBSA-N 2 0 285.435 2.961 20 0 CFADRP COCC[N@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346197107 162350066 /nfs/dbraw/zinc/35/00/66/162350066.db2.gz DQBRSSGBGLPIFZ-UHFFFAOYSA-N 2 0 277.393 2.545 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000346317646 162379834 /nfs/dbraw/zinc/37/98/34/162379834.db2.gz JKTXHHLXLMXKPZ-JTQLQIEISA-N 2 0 250.308 2.569 20 0 CFADRP C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@@H+](C2CCC2)C1 ZINC000663931564 413449136 /nfs/dbraw/zinc/44/91/36/413449136.db2.gz CDCBLNYIDDKACW-ZDUSSCGKSA-N 2 0 284.407 2.874 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000347760934 162770934 /nfs/dbraw/zinc/77/09/34/162770934.db2.gz VLHVRNUTDMHCCO-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348430362 162851163 /nfs/dbraw/zinc/85/11/63/162851163.db2.gz ZEEINSYQCKZROQ-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348744268 162895295 /nfs/dbraw/zinc/89/52/95/162895295.db2.gz BDVXPZHDRRTTPN-HNNXBMFYSA-N 2 0 264.388 2.819 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000349839450 163023347 /nfs/dbraw/zinc/02/33/47/163023347.db2.gz ZSGNIEWACWSLKA-MRVWCRGKSA-N 2 0 279.453 2.771 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000349964242 163043039 /nfs/dbraw/zinc/04/30/39/163043039.db2.gz FACZERXVAAZSIS-AEFFLSMTSA-N 2 0 294.483 2.857 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000350028930 163051318 /nfs/dbraw/zinc/05/13/18/163051318.db2.gz XYJLDQHEQMXZNF-CQSZACIVSA-N 2 0 288.395 2.977 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000350028929 163052490 /nfs/dbraw/zinc/05/24/90/163052490.db2.gz XYJLDQHEQMXZNF-AWEZNQCLSA-N 2 0 288.395 2.977 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccco2)CC1 ZINC000350176610 163066223 /nfs/dbraw/zinc/06/62/23/163066223.db2.gz MYVYLWQTORRKQS-UHFFFAOYSA-N 2 0 250.386 2.833 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000350225914 163068335 /nfs/dbraw/zinc/06/83/35/163068335.db2.gz YZKCQGTZBVGLEA-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1[nH+]ccc(NC2CC[NH+](C(C)C)CC2)c1Cl ZINC000350284977 163070684 /nfs/dbraw/zinc/07/06/84/163070684.db2.gz DIHSNLYSLCNNNM-UHFFFAOYSA-N 2 0 267.804 2.750 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351475500 163131170 /nfs/dbraw/zinc/13/11/70/163131170.db2.gz IMOBWRUFTAZQSU-NUEKZKHPSA-N 2 0 274.408 2.643 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@@H]12 ZINC000351472481 163131277 /nfs/dbraw/zinc/13/12/77/163131277.db2.gz AWMZMCRUBDMYTD-NUEKZKHPSA-N 2 0 278.827 2.942 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351488861 163133009 /nfs/dbraw/zinc/13/30/09/163133009.db2.gz GKTFGKYSJYZYRW-BBWFWOEESA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000351500158 163135428 /nfs/dbraw/zinc/13/54/28/163135428.db2.gz WSQCFFDOSIKSRN-LJIZCISZSA-N 2 0 250.430 2.872 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3cccc4ccccc43)C[C@@H]12 ZINC000351501998 163136445 /nfs/dbraw/zinc/13/64/45/163136445.db2.gz YQLLHUUQEKKGQR-CGTJXYLNSA-N 2 0 296.414 2.888 20 0 CFADRP CN(C[C@@H](O)C[N@@H+]1CCC[C@H]1CCC1CCCC1)C1CC1 ZINC000351534260 163141788 /nfs/dbraw/zinc/14/17/88/163141788.db2.gz JSIOFQPYKCCELY-ZWKOTPCHSA-N 2 0 294.483 2.876 20 0 CFADRP C[C@@H](F)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000351730668 163184506 /nfs/dbraw/zinc/18/45/06/163184506.db2.gz QBEYDWPZHCHSCF-OAHLLOKOSA-N 2 0 286.435 2.559 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351851679 163204181 /nfs/dbraw/zinc/20/41/81/163204181.db2.gz LUGHDOMIZGPFLJ-UONOGXRCSA-N 2 0 262.397 2.643 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000352834498 163246886 /nfs/dbraw/zinc/24/68/86/163246886.db2.gz ISTQHPYTPJHJLD-DJIMGWMZSA-N 2 0 282.472 2.925 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352835483 163247429 /nfs/dbraw/zinc/24/74/29/163247429.db2.gz PRGYEEVDCKVOJO-KBAYOESNSA-N 2 0 293.499 2.594 20 0 CFADRP Cc1ccoc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000352872760 163257206 /nfs/dbraw/zinc/25/72/06/163257206.db2.gz WRKJPVCOHMAVBZ-UHFFFAOYSA-N 2 0 292.423 2.522 20 0 CFADRP C[N@H+](C[C@@H]1CCC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352922119 163270507 /nfs/dbraw/zinc/27/05/07/163270507.db2.gz NSJQQWUEFHGGAH-IXXDHKBRSA-N 2 0 266.429 2.501 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCC1 ZINC000660643143 413456954 /nfs/dbraw/zinc/45/69/54/413456954.db2.gz WRWDKXIGKCOWFY-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000353035962 163292756 /nfs/dbraw/zinc/29/27/56/163292756.db2.gz PYIIHOQTPMZSBN-IUODEOHRSA-N 2 0 264.438 2.589 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(O)CC1 ZINC000353458347 163370526 /nfs/dbraw/zinc/37/05/26/163370526.db2.gz BZMYRZVPUBUEOF-FHERZECASA-N 2 0 268.445 2.534 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)C2CC2)cc1 ZINC000353510465 163381894 /nfs/dbraw/zinc/38/18/94/163381894.db2.gz MLKSMYFLVAVDBZ-SUMWQHHRSA-N 2 0 299.418 2.850 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000353521335 163385039 /nfs/dbraw/zinc/38/50/39/163385039.db2.gz RDMSOAGFJRSRQA-GPANFISMSA-N 2 0 261.413 2.995 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000353576072 163399679 /nfs/dbraw/zinc/39/96/79/163399679.db2.gz MVGOYGAUIKVMQY-YOEHRIQHSA-N 2 0 288.435 2.657 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)c(C)c1 ZINC000657334586 413458723 /nfs/dbraw/zinc/45/87/23/413458723.db2.gz DVYMWLRIKPFOIN-AWEZNQCLSA-N 2 0 264.413 2.824 20 0 CFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422753187 287016543 /nfs/dbraw/zinc/01/65/43/287016543.db2.gz FTKRBZNXMIWUOA-OAGGEKHMSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(F)c(F)c2F)C1 ZINC000657335990 413463871 /nfs/dbraw/zinc/46/38/71/413463871.db2.gz VYRLMNJMJDFUMB-NSHDSACASA-N 2 0 286.341 2.924 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657335332 413464358 /nfs/dbraw/zinc/46/43/58/413464358.db2.gz NXGIDRMPVGEHOS-UHFFFAOYSA-N 2 0 290.329 2.859 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn[nH]c1 ZINC000494706953 287021910 /nfs/dbraw/zinc/02/19/10/287021910.db2.gz HQYHTTQNEDRRHX-CQSZACIVSA-N 2 0 264.417 2.717 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccnn1C ZINC000192860220 287022009 /nfs/dbraw/zinc/02/20/09/287022009.db2.gz IMGRXDWVDAGPQJ-OAHLLOKOSA-N 2 0 278.444 2.727 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000158208622 287022019 /nfs/dbraw/zinc/02/20/19/287022019.db2.gz NQGCSBAXEACXOZ-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(COC)cs2)C1 ZINC000657337056 413467823 /nfs/dbraw/zinc/46/78/23/413467823.db2.gz GWJZZACEMLHHPZ-ZDUSSCGKSA-N 2 0 282.453 2.716 20 0 CFADRP C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422818456 287029705 /nfs/dbraw/zinc/02/97/05/287029705.db2.gz GEKJYFVLUMXLEX-LZLYRXPVSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ncc(-c2ccccc2)n1C ZINC000423253813 287029846 /nfs/dbraw/zinc/02/98/46/287029846.db2.gz WKVIKKXHCBILBG-CABCVRRESA-N 2 0 298.434 2.737 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCOC(C)(C)C)C2 ZINC000660657892 413473429 /nfs/dbraw/zinc/47/34/29/413473429.db2.gz BUFVSTQZFWKMMH-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000449344229 297188096 /nfs/dbraw/zinc/18/80/96/297188096.db2.gz QBJDPVNTLOTODE-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1C ZINC000020128489 171015426 /nfs/dbraw/zinc/01/54/26/171015426.db2.gz AVKBYVFOZYCOHQ-QGZVFWFLSA-N 2 0 289.467 2.592 20 0 CFADRP C[C@@H](c1cccnc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659117 413479783 /nfs/dbraw/zinc/47/97/83/413479783.db2.gz NIEMMOQGSUDWQE-GOEBONIOSA-N 2 0 259.397 2.560 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]CC3CC[NH+](C)CC3)cc21 ZINC000657349991 413480933 /nfs/dbraw/zinc/48/09/33/413480933.db2.gz XCLAXLNYZUKERG-UHFFFAOYSA-N 2 0 271.408 2.908 20 0 CFADRP CC(C)(C)[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675102 413490669 /nfs/dbraw/zinc/49/06/69/413490669.db2.gz GIKTUHPUWPJFJZ-QGZVFWFLSA-N 2 0 290.451 2.648 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000657387580 413538773 /nfs/dbraw/zinc/53/87/73/413538773.db2.gz XINBDONUXBTBME-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000651676583 413560462 /nfs/dbraw/zinc/56/04/62/413560462.db2.gz FQCYRYPGMQZGDR-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000651676582 413562785 /nfs/dbraw/zinc/56/27/85/413562785.db2.gz FQCYRYPGMQZGDR-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1C[C@H](C)CN(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000660778637 413559591 /nfs/dbraw/zinc/55/95/91/413559591.db2.gz GBJUNVDORYJKEJ-LEOABGAYSA-N 2 0 250.430 2.743 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651679315 413567356 /nfs/dbraw/zinc/56/73/56/413567356.db2.gz XCEPZMXTCFOULQ-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094365740 287268124 /nfs/dbraw/zinc/26/81/24/287268124.db2.gz LSLNRORWFIPUCP-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NCc2cnc3n2CCC3)c1 ZINC000657418596 413576985 /nfs/dbraw/zinc/57/69/85/413576985.db2.gz AVSPFKLRHJEBQC-UHFFFAOYSA-N 2 0 284.407 2.811 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657458090 413633745 /nfs/dbraw/zinc/63/37/45/413633745.db2.gz XHBLAXGJMQZNQG-KGLIPLIRSA-N 2 0 270.380 2.793 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000651830089 413674957 /nfs/dbraw/zinc/67/49/57/413674957.db2.gz ZTUXMCWBZPPBCD-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000651749937 413615257 /nfs/dbraw/zinc/61/52/57/413615257.db2.gz PCLPOLOQHYZDNY-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657492385 413681231 /nfs/dbraw/zinc/68/12/31/413681231.db2.gz VESJNJZWRBDQHT-LLVKDONJSA-N 2 0 286.341 2.925 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC000651865697 413685705 /nfs/dbraw/zinc/68/57/05/413685705.db2.gz FAMJYPOQISFHJW-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(N(C)CC2C[NH+](C)C2)c2ccccc2[nH+]1 ZINC000664330678 413694963 /nfs/dbraw/zinc/69/49/63/413694963.db2.gz LOAXQLLWZOBLID-UHFFFAOYSA-N 2 0 255.365 2.541 20 0 CFADRP CCc1cc(N(C)CC2C[NH+](C)C2)c2ccccc2[nH+]1 ZINC000664332835 413696020 /nfs/dbraw/zinc/69/60/20/413696020.db2.gz YHJKLTKHYKQCMT-UHFFFAOYSA-N 2 0 269.392 2.795 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)[nH]c2c1 ZINC000657504724 413697641 /nfs/dbraw/zinc/69/76/41/413697641.db2.gz LRLOQWCNMXCAQK-AKAXFMLLSA-N 2 0 271.408 2.906 20 0 CFADRP COc1cccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC000657523440 413702078 /nfs/dbraw/zinc/70/20/78/413702078.db2.gz IIIPXJRDYNSOEQ-AWEZNQCLSA-N 2 0 262.397 2.658 20 0 CFADRP Cc1cc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)ncn1 ZINC000664362672 413711159 /nfs/dbraw/zinc/71/11/59/413711159.db2.gz AHKFGTPDCPUTNH-KRWDZBQOSA-N 2 0 296.418 2.538 20 0 CFADRP c1ccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)noc2c1 ZINC000657533278 413718277 /nfs/dbraw/zinc/71/82/77/413718277.db2.gz KAKZLQIOTWJNJW-KBPBESRZSA-N 2 0 285.391 2.587 20 0 CFADRP CC(C)C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536219 413721199 /nfs/dbraw/zinc/72/11/99/413721199.db2.gz YEAQVCWFYSYYKD-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[C@H]1C ZINC000657537752 413721814 /nfs/dbraw/zinc/72/18/14/413721814.db2.gz SCNPBQHYHCVEOV-CPUCHLNUSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1C ZINC000657574203 413763601 /nfs/dbraw/zinc/76/36/01/413763601.db2.gz TVAXESROOOLJFB-KRWDZBQOSA-N 2 0 291.483 2.665 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000652222118 413835220 /nfs/dbraw/zinc/83/52/20/413835220.db2.gz GABFCLUVUDFIPF-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000652222116 413837310 /nfs/dbraw/zinc/83/73/10/413837310.db2.gz GABFCLUVUDFIPF-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CN(CCC[N@H+](C)CCCCCCO)Cc1ccco1 ZINC000285528380 196315458 /nfs/dbraw/zinc/31/54/58/196315458.db2.gz FHAFYQUWGJSPMZ-UHFFFAOYSA-N 2 0 282.428 2.586 20 0 CFADRP C[C@@H]([NH2+][C@H](c1ccccc1F)[C@H](C)O)C1CC[NH+](C)CC1 ZINC000652230522 413840059 /nfs/dbraw/zinc/84/00/59/413840059.db2.gz NNFLRZYBJVMEBS-IGCXYCKISA-N 2 0 294.414 2.568 20 0 CFADRP C[C@]1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1(F)F ZINC000657674135 413848638 /nfs/dbraw/zinc/84/86/38/413848638.db2.gz YSVAZEJWYNMJMD-AWEZNQCLSA-N 2 0 292.333 2.792 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000657782576 413927064 /nfs/dbraw/zinc/92/70/64/413927064.db2.gz NZZKFJHSEULDPH-GVDBMIGSSA-N 2 0 280.456 2.798 20 0 CFADRP OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC1CC1 ZINC000657714208 413885993 /nfs/dbraw/zinc/88/59/93/413885993.db2.gz HPJZNJJPLYDRDM-MRXNPFEDSA-N 2 0 294.483 2.782 20 0 CFADRP CCc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ncn1 ZINC000664680084 413900759 /nfs/dbraw/zinc/90/07/59/413900759.db2.gz NGJBZBIJKFCKLO-AWEZNQCLSA-N 2 0 274.412 2.573 20 0 CFADRP COc1cccc(OCC[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355785 413905543 /nfs/dbraw/zinc/90/55/43/413905543.db2.gz HTQCSZZAKZKRRR-YOEHRIQHSA-N 2 0 292.423 2.523 20 0 CFADRP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652355179 413907403 /nfs/dbraw/zinc/90/74/03/413907403.db2.gz QQYIKZXPPLQLMC-SUMWQHHRSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000422813691 298886071 /nfs/dbraw/zinc/88/60/71/298886071.db2.gz YMFSORNCPCQPCS-MJBXVCDLSA-N 2 0 272.396 2.649 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000652364573 413910442 /nfs/dbraw/zinc/91/04/42/413910442.db2.gz ZTKDKYHLZJACGX-ZIAGYGMSSA-N 2 0 276.399 2.787 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657867509 414013416 /nfs/dbraw/zinc/01/34/16/414013416.db2.gz TUTVVVKQMNKJSL-LBPRGKRZSA-N 2 0 292.414 2.757 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657867508 414013538 /nfs/dbraw/zinc/01/35/38/414013538.db2.gz TUTVVVKQMNKJSL-GFCCVEGCSA-N 2 0 292.414 2.757 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657871102 414016591 /nfs/dbraw/zinc/01/65/91/414016591.db2.gz GVCGGNDHMRQCTM-CYBMUJFWSA-N 2 0 274.399 2.784 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000657872606 414017766 /nfs/dbraw/zinc/01/77/66/414017766.db2.gz ROQSFNNGHQSKQF-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813491 413961161 /nfs/dbraw/zinc/96/11/61/413961161.db2.gz POOQXLHYENIMOJ-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000657815257 413961812 /nfs/dbraw/zinc/96/18/12/413961812.db2.gz NTPQBEWTIACMHP-CJNGLKHVSA-N 2 0 282.497 2.982 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000657812523 413963177 /nfs/dbraw/zinc/96/31/77/413963177.db2.gz RHVYNVHGFPXDGN-UHFFFAOYSA-N 2 0 262.397 2.800 20 0 CFADRP CCc1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657812378 413963221 /nfs/dbraw/zinc/96/32/21/413963221.db2.gz AFUPMVYOHMGXBJ-UHFFFAOYSA-N 2 0 293.480 2.917 20 0 CFADRP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2ccncc2s1 ZINC000657819242 413969722 /nfs/dbraw/zinc/96/97/22/413969722.db2.gz WEPRRMCEDSYEBF-NSHDSACASA-N 2 0 263.410 2.899 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1COC2(CCC2)C1)C1CCCCC1 ZINC000657830201 413983231 /nfs/dbraw/zinc/98/32/31/413983231.db2.gz NALWFFVIRAWWSH-OAHLLOKOSA-N 2 0 280.456 2.942 20 0 CFADRP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000657879139 414019834 /nfs/dbraw/zinc/01/98/34/414019834.db2.gz KGOXJFKZQHTBLB-YVSFHVDLSA-N 2 0 294.483 2.638 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657839470 413991597 /nfs/dbraw/zinc/99/15/97/413991597.db2.gz WJYUQWUVPFSJCR-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657903886 414043586 /nfs/dbraw/zinc/04/35/86/414043586.db2.gz YXNNSKLUUPNYIT-LVQVYYBASA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657908434 414047413 /nfs/dbraw/zinc/04/74/13/414047413.db2.gz KLXYEMGLLRSSSN-ZDUSSCGKSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2cnccc2o1 ZINC000657939203 414067656 /nfs/dbraw/zinc/06/76/56/414067656.db2.gz VNOGBPCRCYFWAQ-LBPRGKRZSA-N 2 0 271.364 2.740 20 0 CFADRP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408247 173184794 /nfs/dbraw/zinc/18/47/94/173184794.db2.gz ZNESTJGSWPPCMD-MRXNPFEDSA-N 2 0 258.409 2.823 20 0 CFADRP CCC[N@H+](CCOc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000037539092 173259604 /nfs/dbraw/zinc/25/96/04/173259604.db2.gz QPMXRVUOIMVRNO-UHFFFAOYSA-N 2 0 292.423 2.538 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657973933 414081796 /nfs/dbraw/zinc/08/17/96/414081796.db2.gz VRYAUWXVUFOJJJ-OWCLPIDISA-N 2 0 282.472 2.759 20 0 CFADRP FCC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000661690044 414133774 /nfs/dbraw/zinc/13/37/74/414133774.db2.gz ICMFPIXBOQLLLO-OAHLLOKOSA-N 2 0 256.409 2.934 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](C)c2ccccn2)CC1 ZINC000658063844 414148673 /nfs/dbraw/zinc/14/86/73/414148673.db2.gz WXSVGJHSPLGZSR-AWEZNQCLSA-N 2 0 261.413 2.648 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069498 414153406 /nfs/dbraw/zinc/15/34/06/414153406.db2.gz FVYWNRSHURHUHL-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccn1 ZINC000658067050 414154599 /nfs/dbraw/zinc/15/45/99/414154599.db2.gz RODKIGOXPNGTEQ-MUIFIZLQSA-N 2 0 273.424 2.648 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000665265569 414220319 /nfs/dbraw/zinc/22/03/19/414220319.db2.gz YMZWEWAQVIFROZ-PBHICJAKSA-N 2 0 285.435 2.828 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)co1 ZINC000665263870 414220883 /nfs/dbraw/zinc/22/08/83/414220883.db2.gz WWWVQLVGKMJNND-ARFHVFGLSA-N 2 0 262.397 2.723 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000665265664 414221195 /nfs/dbraw/zinc/22/11/95/414221195.db2.gz YXZZXOLBEWTRRK-UGUYLWEFSA-N 2 0 268.445 2.844 20 0 CFADRP c1cc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000665263476 414221226 /nfs/dbraw/zinc/22/12/26/414221226.db2.gz MWDAIPWAAFXBKX-AEFFLSMTSA-N 2 0 298.386 2.668 20 0 CFADRP c1cc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000665263477 414221315 /nfs/dbraw/zinc/22/13/15/414221315.db2.gz MWDAIPWAAFXBKX-FUHWJXTLSA-N 2 0 298.386 2.668 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)O1 ZINC000665265322 414221472 /nfs/dbraw/zinc/22/14/72/414221472.db2.gz VIAMVESWSUBJHP-OVYGPGRDSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000665266388 414222351 /nfs/dbraw/zinc/22/23/51/414222351.db2.gz AGDZMGDMCPFFIU-ZANVPECISA-N 2 0 269.339 2.545 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000665274883 414231062 /nfs/dbraw/zinc/23/10/62/414231062.db2.gz ZVWZUOSWOURWPG-NLXSIGEOSA-N 2 0 284.394 2.932 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665272616 414232608 /nfs/dbraw/zinc/23/26/08/414232608.db2.gz IJVSALAUPWQFTA-KPZWWZAWSA-N 2 0 296.418 2.769 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2nsc3ccccc32)C1 ZINC000665276125 414234104 /nfs/dbraw/zinc/23/41/04/414234104.db2.gz YVWLLIZJZVVTKG-RYUDHWBXSA-N 2 0 275.421 2.698 20 0 CFADRP CCC(CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658145682 414234432 /nfs/dbraw/zinc/23/44/32/414234432.db2.gz SMZRXXFPNMQQQL-QGZVFWFLSA-N 2 0 276.424 2.531 20 0 CFADRP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])C1CCCC1 ZINC000665275300 414234959 /nfs/dbraw/zinc/23/49/59/414234959.db2.gz GUMQTLDTVUNSMJ-ZTFGCOKTSA-N 2 0 290.451 2.740 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665238890 414196215 /nfs/dbraw/zinc/19/62/15/414196215.db2.gz GZMKZLNWWGNGAY-DZKIICNBSA-N 2 0 270.461 2.792 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237862 414197668 /nfs/dbraw/zinc/19/76/68/414197668.db2.gz LIDHXRYGLLCMCV-DOMZBBRYSA-N 2 0 258.365 2.911 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000665244326 414200785 /nfs/dbraw/zinc/20/07/85/414200785.db2.gz KWUHOHXKCVMGIE-UHFFFAOYSA-N 2 0 292.398 2.974 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665244201 414202251 /nfs/dbraw/zinc/20/22/51/414202251.db2.gz ILVYBJRFRRLEGV-GHHZWIFUSA-N 2 0 270.420 2.693 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)C1(C)C ZINC000665247514 414206503 /nfs/dbraw/zinc/20/65/03/414206503.db2.gz DIAQCRZPPVRLEM-ZIAGYGMSSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC1([NH3+])CCCC1 ZINC000665249370 414210863 /nfs/dbraw/zinc/21/08/63/414210863.db2.gz OXANXNOZBKVOQU-LBPRGKRZSA-N 2 0 252.427 2.930 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000665280213 414242153 /nfs/dbraw/zinc/24/21/53/414242153.db2.gz WCRCFFXWIQVSIZ-TZMCWYRMSA-N 2 0 280.412 2.728 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000665280632 414242738 /nfs/dbraw/zinc/24/27/38/414242738.db2.gz HXFRNJGCCWBXCP-BXUZGUMPSA-N 2 0 268.376 2.858 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000665281409 414242927 /nfs/dbraw/zinc/24/29/27/414242927.db2.gz BLRGNYVDCDRSCU-GDBMZVCRSA-N 2 0 263.429 2.756 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665280324 414243307 /nfs/dbraw/zinc/24/33/07/414243307.db2.gz YQYSSQOFBYMDFL-SWLSCSKDSA-N 2 0 250.386 2.719 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665279857 414245206 /nfs/dbraw/zinc/24/52/06/414245206.db2.gz NSDMEDCKSYQNSU-GMXGEUMGSA-N 2 0 270.420 2.658 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2ccco2)c2ccccc21 ZINC000665283139 414246412 /nfs/dbraw/zinc/24/64/12/414246412.db2.gz IERBEXPHHVJGRJ-JKSUJKDBSA-N 2 0 256.349 2.947 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281964 414247963 /nfs/dbraw/zinc/24/79/63/414247963.db2.gz NJCUKNNXAIVTAD-RDBSUJKOSA-N 2 0 256.434 2.542 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1(CO)CC1 ZINC000658162352 414249487 /nfs/dbraw/zinc/24/94/87/414249487.db2.gz WOQCCAAGQODNJZ-INMHGKMJSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283695 414255547 /nfs/dbraw/zinc/25/55/47/414255547.db2.gz SFOKUAYTXTUZDU-UEFIXOHGSA-N 2 0 280.456 2.687 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000658170730 414261546 /nfs/dbraw/zinc/26/15/46/414261546.db2.gz NHJFDIGFQKVEJV-DZKIICNBSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCOC(C)(C)C)CC1 ZINC000658187437 414271299 /nfs/dbraw/zinc/27/12/99/414271299.db2.gz VQZJVGQGOLRQRR-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661864194 414273135 /nfs/dbraw/zinc/27/31/35/414273135.db2.gz AFVSNCUVWTWYIN-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000658218189 414290714 /nfs/dbraw/zinc/29/07/14/414290714.db2.gz IROHSSDTAGETOZ-CYBMUJFWSA-N 2 0 260.372 2.884 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655683469 414359338 /nfs/dbraw/zinc/35/93/38/414359338.db2.gz SBTYKZFBGXDDOM-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@H](C)C1 ZINC000658326801 414376555 /nfs/dbraw/zinc/37/65/55/414376555.db2.gz KDAWJNREJUSDIX-HIFRSBDPSA-N 2 0 250.386 2.532 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655704656 414379137 /nfs/dbraw/zinc/37/91/37/414379137.db2.gz HKSVRTWWTDATSI-OCCSQVGLSA-N 2 0 256.459 2.733 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658331572 414380951 /nfs/dbraw/zinc/38/09/51/414380951.db2.gz KXHMYUCWIDMDMB-SPUZQDLCSA-N 2 0 288.435 2.664 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658331563 414381379 /nfs/dbraw/zinc/38/13/79/414381379.db2.gz KXHMYUCWIDMDMB-DDBAPUKQSA-N 2 0 288.435 2.664 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655716939 414387737 /nfs/dbraw/zinc/38/77/37/414387737.db2.gz QLZAIEOUIVENLV-OCCSQVGLSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000658347807 414393521 /nfs/dbraw/zinc/39/35/21/414393521.db2.gz HQMHQQQFBQICQN-QXINMDOSSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000655760904 414414733 /nfs/dbraw/zinc/41/47/33/414414733.db2.gz AKUTZHMTZMSHTN-GXTWGEPZSA-N 2 0 268.470 2.735 20 0 CFADRP CCCCC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000662157154 414434298 /nfs/dbraw/zinc/43/42/98/414434298.db2.gz TZIIBYUURDNNSF-JKSUJKDBSA-N 2 0 270.461 2.734 20 0 CFADRP C1CC1[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000655788854 414434472 /nfs/dbraw/zinc/43/44/72/414434472.db2.gz QDPWAJGMDHNCAG-QBPKDAKJSA-N 2 0 278.440 2.551 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CCCc1cc(CC)no1 ZINC000662179935 414446241 /nfs/dbraw/zinc/44/62/41/414446241.db2.gz NBOVHIJJOQRQGN-UHFFFAOYSA-N 2 0 281.444 2.880 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000655803871 414449537 /nfs/dbraw/zinc/44/95/37/414449537.db2.gz GRYLSYLMBFNZQQ-OBMPSLJJSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C2CCCC2)c1 ZINC000655804076 414449765 /nfs/dbraw/zinc/44/97/65/414449765.db2.gz OAFKAFYPWDULKP-GRDNDAEWSA-N 2 0 290.455 2.989 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805459 414450538 /nfs/dbraw/zinc/45/05/38/414450538.db2.gz HRKVIGRWIUFGAL-RWMBFGLXSA-N 2 0 252.427 2.609 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H]1OC ZINC000655805383 414450683 /nfs/dbraw/zinc/45/06/83/414450683.db2.gz MYPLCUONGGTYDC-BARDWOONSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000655805909 414450805 /nfs/dbraw/zinc/45/08/05/414450805.db2.gz NCQBWHCYGISZHA-GMXVVIOVSA-N 2 0 268.351 2.956 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000655805473 414451142 /nfs/dbraw/zinc/45/11/42/414451142.db2.gz ODOUTIKOAANKBG-GHJWDPDVSA-N 2 0 298.377 2.582 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000655806682 414451728 /nfs/dbraw/zinc/45/17/28/414451728.db2.gz ZKDDESIFWPXBRP-DIOULYMOSA-N 2 0 262.372 2.743 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655807943 414453641 /nfs/dbraw/zinc/45/36/41/414453641.db2.gz XIYFIHYERXTFQI-NFAWXSAZSA-N 2 0 262.397 2.686 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ncc(C)cc2C)[C@H](C)C1 ZINC000655812123 414455218 /nfs/dbraw/zinc/45/52/18/414455218.db2.gz ZSHLWSVOWPVFDQ-WBVHZDCISA-N 2 0 275.440 2.561 20 0 CFADRP COc1cccc(SCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000662243959 414473672 /nfs/dbraw/zinc/47/36/72/414473672.db2.gz DVCRZIFBVGGTIF-ZIAGYGMSSA-N 2 0 294.464 2.847 20 0 CFADRP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824122 414460228 /nfs/dbraw/zinc/46/02/28/414460228.db2.gz FTSIVFSZCZJKAZ-FZNQNYSPSA-N 2 0 298.434 2.517 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655824076 414460592 /nfs/dbraw/zinc/46/05/92/414460592.db2.gz DMSMWBYIURQECC-DRPJVOAASA-N 2 0 250.430 2.909 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000655824072 414461127 /nfs/dbraw/zinc/46/11/27/414461127.db2.gz DKTKKQJGZMAJQH-LQOBQMSGSA-N 2 0 280.362 2.908 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655825976 414462464 /nfs/dbraw/zinc/46/24/64/414462464.db2.gz ACTSZLYWKVVEEV-IYBDPMFKSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000655825849 414462545 /nfs/dbraw/zinc/46/25/45/414462545.db2.gz NKDYMQJTKDMORL-BJHJDKERSA-N 2 0 284.350 2.718 20 0 CFADRP [NH3+]CC1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662233482 414465913 /nfs/dbraw/zinc/46/59/13/414465913.db2.gz DUQOCHBOEKYHFV-UHFFFAOYSA-N 2 0 275.421 2.510 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000655838407 414471426 /nfs/dbraw/zinc/47/14/26/414471426.db2.gz BTNJSSCNXGXVCU-SHTZXODSSA-N 2 0 268.445 2.795 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@]1(C)CCCO1 ZINC000658353018 414397824 /nfs/dbraw/zinc/39/78/24/414397824.db2.gz JERZQTWAJGWOLB-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000658355144 414400007 /nfs/dbraw/zinc/40/00/07/414400007.db2.gz HSAOVKHRSMLIKN-CQSZACIVSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cn1 ZINC000658355833 414400207 /nfs/dbraw/zinc/40/02/07/414400207.db2.gz KZHBKHUTRLRFKN-CYBMUJFWSA-N 2 0 291.414 2.993 20 0 CFADRP FCC1(CF)CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000658354200 414401607 /nfs/dbraw/zinc/40/16/07/414401607.db2.gz XPLJRASJEGAVIY-UHFFFAOYSA-N 2 0 286.410 2.786 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H](CC)CC(F)F)CC1 ZINC000662246287 414474361 /nfs/dbraw/zinc/47/43/61/414474361.db2.gz SBMHIWRTIFJALZ-LBPRGKRZSA-N 2 0 262.388 2.989 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247332 414474582 /nfs/dbraw/zinc/47/45/82/414474582.db2.gz XCXFXMCZWYGZEP-NUEKZKHPSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251070 414475525 /nfs/dbraw/zinc/47/55/25/414475525.db2.gz XIWMNDGTBSUASJ-IUODEOHRSA-N 2 0 294.826 2.854 20 0 CFADRP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250764 414475612 /nfs/dbraw/zinc/47/56/12/414475612.db2.gz NNMIUJMXBRITQU-STQMWFEESA-N 2 0 294.826 2.854 20 0 CFADRP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250715 414476218 /nfs/dbraw/zinc/47/62/18/414476218.db2.gz MMGVDHBXFJHRLC-DOTOQJQBSA-N 2 0 286.419 2.653 20 0 CFADRP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251622 414476251 /nfs/dbraw/zinc/47/62/51/414476251.db2.gz GTUMTQLYXUBWCQ-TZMCWYRMSA-N 2 0 292.448 2.578 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662250222 414476381 /nfs/dbraw/zinc/47/63/81/414476381.db2.gz BAMMRYNJOUCFGD-IAGOWNOFSA-N 2 0 286.419 2.653 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCCO1 ZINC000655847375 414477220 /nfs/dbraw/zinc/47/72/20/414477220.db2.gz AJKYHTLENBWDMC-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCCc2ccccc21 ZINC000662248859 414477273 /nfs/dbraw/zinc/47/72/73/414477273.db2.gz LCAPSFUQDFPXEO-RDJZCZTQSA-N 2 0 286.419 2.517 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250787 414477734 /nfs/dbraw/zinc/47/77/34/414477734.db2.gz NVZHHGFWTRKBNZ-SWLSCSKDSA-N 2 0 294.826 2.854 20 0 CFADRP CC(C)(C)[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254559 414480191 /nfs/dbraw/zinc/48/01/91/414480191.db2.gz JPCHLRMGYIQNHO-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259380 414480882 /nfs/dbraw/zinc/48/08/82/414480882.db2.gz WOJMUGGPQDQWRP-MRXNPFEDSA-N 2 0 288.435 2.508 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1F ZINC000662263344 414481881 /nfs/dbraw/zinc/48/18/81/414481881.db2.gz ACFUODATLXRBKP-QWRGUYRKSA-N 2 0 286.391 2.726 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662264176 414481988 /nfs/dbraw/zinc/48/19/88/414481988.db2.gz BPHCFMITJXFBMW-WDEREUQCSA-N 2 0 286.391 2.726 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000662274490 414490237 /nfs/dbraw/zinc/49/02/37/414490237.db2.gz USGAHGCSJVQJAB-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662274016 414490981 /nfs/dbraw/zinc/49/09/81/414490981.db2.gz RLSFQPTVZMBMFW-SIXLDLHFSA-N 2 0 262.441 2.744 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662282972 414494374 /nfs/dbraw/zinc/49/43/74/414494374.db2.gz FOODNXWAVCCPFB-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP CCCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284181 414494629 /nfs/dbraw/zinc/49/46/29/414494629.db2.gz FRGXGLRJYNOWCO-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP CO[C@@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000662283200 414494980 /nfs/dbraw/zinc/49/49/80/414494980.db2.gz MLGGIEBKEPLDLO-RDJZCZTQSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281289 414495557 /nfs/dbraw/zinc/49/55/57/414495557.db2.gz MGCPFUUICPCIGR-JKSUJKDBSA-N 2 0 266.429 2.561 20 0 CFADRP CO[C@@H](CN1CCc2ccccc2[C@H]1C[NH3+])C1CCCC1 ZINC000662286116 414496389 /nfs/dbraw/zinc/49/63/89/414496389.db2.gz OFDIHZNFOZYXAG-MSOLQXFVSA-N 2 0 288.435 2.750 20 0 CFADRP C[C@@H]1CCC[N@H+](CCc2noc3ccccc32)[C@H]1CC[NH3+] ZINC000655942238 414496550 /nfs/dbraw/zinc/49/65/50/414496550.db2.gz NTHHXACWCAXKNN-CJNGLKHVSA-N 2 0 287.407 2.820 20 0 CFADRP C[C@H](c1ccncc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293969 414496744 /nfs/dbraw/zinc/49/67/44/414496744.db2.gz VPHYJEYGPGOMKN-RHSMWYFYSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)n1 ZINC000662293397 414497342 /nfs/dbraw/zinc/49/73/42/414497342.db2.gz RMIKZORYRBNJIF-QGZVFWFLSA-N 2 0 287.451 2.910 20 0 CFADRP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662285183 414497506 /nfs/dbraw/zinc/49/75/06/414497506.db2.gz ZBZLRASFJUEHOS-OAGGEKHMSA-N 2 0 266.429 2.704 20 0 CFADRP c1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290122 414497714 /nfs/dbraw/zinc/49/77/14/414497714.db2.gz KNIFMDFMCFZVOI-KRWDZBQOSA-N 2 0 288.435 2.777 20 0 CFADRP CC(C)CCOCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290950 414497821 /nfs/dbraw/zinc/49/78/21/414497821.db2.gz ALTOYGVMVSOTTK-QGZVFWFLSA-N 2 0 282.472 2.761 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293655 414498102 /nfs/dbraw/zinc/49/81/02/414498102.db2.gz HHBPTZCFLHGZFR-QGZVFWFLSA-N 2 0 288.435 2.777 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H]1CCCCO1 ZINC000662294634 414498880 /nfs/dbraw/zinc/49/88/80/414498880.db2.gz RLHCZNBLJGYVIR-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CCC1 ZINC000662295710 414499067 /nfs/dbraw/zinc/49/90/67/414499067.db2.gz WOQSCVRAOGKOKB-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295188 414499530 /nfs/dbraw/zinc/49/95/30/414499530.db2.gz UDIAOQJHZYEJOZ-RHSMWYFYSA-N 2 0 273.424 2.854 20 0 CFADRP CC(C)n1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662298459 414500033 /nfs/dbraw/zinc/50/00/33/414500033.db2.gz WELASJSXHKSDAN-INIZCTEOSA-N 2 0 290.455 2.676 20 0 CFADRP C(C[N@@H+]1CC[C@H](C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000662307814 414502524 /nfs/dbraw/zinc/50/25/24/414502524.db2.gz ZNHKMJYLFZFQPF-ZBFHGGJFSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(OCCN2CC3CC2(C[NH3+])C3)ccc1C(C)C ZINC000662307594 414502842 /nfs/dbraw/zinc/50/28/42/414502842.db2.gz JEZMIMUSOTZERX-UHFFFAOYSA-N 2 0 288.435 2.920 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662316543 414505723 /nfs/dbraw/zinc/50/57/23/414505723.db2.gz VMUIETWVIOUSOW-GVDBMIGSSA-N 2 0 280.456 2.657 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C1CC[NH2+]CC1 ZINC000662314465 414506105 /nfs/dbraw/zinc/50/61/05/414506105.db2.gz PGURKUPPCLTKRV-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCc3ccccc32)CCO1 ZINC000662323723 414507379 /nfs/dbraw/zinc/50/73/79/414507379.db2.gz PTATZYFEZFQXRV-FUHWJXTLSA-N 2 0 288.435 2.717 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000656193892 414529996 /nfs/dbraw/zinc/52/99/96/414529996.db2.gz XGWIGBKOAYDRTH-HOTGVXAUSA-N 2 0 281.488 2.891 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000656193132 414530147 /nfs/dbraw/zinc/53/01/47/414530147.db2.gz QZCRRJNRRHOUSS-STQMWFEESA-N 2 0 252.789 2.742 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656196037 414531865 /nfs/dbraw/zinc/53/18/65/414531865.db2.gz UXAKNORUBKPXHD-UAGQMJEPSA-N 2 0 289.467 2.975 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000656198120 414531931 /nfs/dbraw/zinc/53/19/31/414531931.db2.gz VQDVIRXUNIWLGD-SLEUVZQESA-N 2 0 282.815 2.887 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656196925 414532280 /nfs/dbraw/zinc/53/22/80/414532280.db2.gz WGKDEZQVZMUGBM-ZIAGYGMSSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197431 414532395 /nfs/dbraw/zinc/53/23/95/414532395.db2.gz IUISWITZKFYQRE-LSDHHAIUSA-N 2 0 262.397 2.623 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000656200514 414533845 /nfs/dbraw/zinc/53/38/45/414533845.db2.gz ODAFGVPKORDBJU-DZGCQCFKSA-N 2 0 262.397 2.611 20 0 CFADRP COc1ccccc1C1([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656200628 414534008 /nfs/dbraw/zinc/53/40/08/414534008.db2.gz SGIMBIREIQZKNJ-CHWSQXEVSA-N 2 0 260.381 2.544 20 0 CFADRP CCc1ccc2[nH+]ccc(NC[C@H]3C[C@@H]([NH+](C)C)C3)c2c1 ZINC000656211951 414538848 /nfs/dbraw/zinc/53/88/48/414538848.db2.gz SYYJJCYCIZVFSR-GASCZTMLSA-N 2 0 283.419 2.971 20 0 CFADRP CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000659852196 414588474 /nfs/dbraw/zinc/58/84/74/414588474.db2.gz KQBDGFMLZFWPGK-WMLDXEAASA-N 2 0 296.430 2.910 20 0 CFADRP CC[C@H](CC(F)F)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000659945485 414624916 /nfs/dbraw/zinc/62/49/16/414624916.db2.gz BLAUXBMYORRRTA-CHWSQXEVSA-N 2 0 262.388 2.941 20 0 CFADRP CC[C@H](CC(F)F)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000659945486 414626152 /nfs/dbraw/zinc/62/61/52/414626152.db2.gz BLAUXBMYORRRTA-OLZOCXBDSA-N 2 0 262.388 2.941 20 0 CFADRP CCC[C@H]([NH3+])c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456219 414580908 /nfs/dbraw/zinc/58/09/08/414580908.db2.gz UTWSNRVAFDHGLC-HOTGVXAUSA-N 2 0 299.422 2.525 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000038040930 174041004 /nfs/dbraw/zinc/04/10/04/174041004.db2.gz LAOFSXNOPSMDLS-JTQLQIEISA-N 2 0 270.323 2.691 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCc3ccccc3)CC[C@H]21 ZINC000660010649 414650018 /nfs/dbraw/zinc/65/00/18/414650018.db2.gz KQCQHWHYMXBLAZ-QZTJIDSGSA-N 2 0 288.435 2.619 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000659980724 414639783 /nfs/dbraw/zinc/63/97/83/414639783.db2.gz YQFBOFGNBIIAEC-XMTFNYHQSA-N 2 0 294.483 2.855 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659982116 414640720 /nfs/dbraw/zinc/64/07/20/414640720.db2.gz FYJOLHQXFQPLQO-JONQDZQNSA-N 2 0 250.430 2.696 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](OC)C2CCC2)CC1 ZINC000659983555 414640833 /nfs/dbraw/zinc/64/08/33/414640833.db2.gz PTWCQAURNLYGMX-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423413065 287295238 /nfs/dbraw/zinc/29/52/38/287295238.db2.gz JOUKEBISMCMRBL-WCVJEAGWSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000044426605 175175495 /nfs/dbraw/zinc/17/54/95/175175495.db2.gz DPDDTUWONSBBHE-GFCCVEGCSA-N 2 0 272.314 2.876 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000044513505 175188733 /nfs/dbraw/zinc/18/87/33/175188733.db2.gz OPDSTAZJPISRIW-UHFFFAOYSA-N 2 0 271.364 2.512 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000044515838 175189830 /nfs/dbraw/zinc/18/98/30/175189830.db2.gz XGRXNIYZSHEWNX-UHFFFAOYSA-N 2 0 284.350 2.719 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515735 175189864 /nfs/dbraw/zinc/18/98/64/175189864.db2.gz ZGSIGRSVJNMMJH-CQSZACIVSA-N 2 0 276.424 2.645 20 0 CFADRP CCc1ccc(C[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000044518412 175191203 /nfs/dbraw/zinc/19/12/03/175191203.db2.gz ZFMVWTGBSCOTIK-UHFFFAOYSA-N 2 0 252.427 2.742 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527681 175193008 /nfs/dbraw/zinc/19/30/08/175193008.db2.gz FGUBKZQSXXYEIZ-DOMZBBRYSA-N 2 0 250.361 2.948 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044533045 175196158 /nfs/dbraw/zinc/19/61/58/175196158.db2.gz CLXQNIIWGJGFIM-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044533838 175196768 /nfs/dbraw/zinc/19/67/68/175196768.db2.gz PDUCTWJMBAFOQY-DZGCQCFKSA-N 2 0 289.423 2.637 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534087 175197010 /nfs/dbraw/zinc/19/70/10/175197010.db2.gz XWEKREIXZNLOQO-ZBFHGGJFSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534580 175197092 /nfs/dbraw/zinc/19/70/92/175197092.db2.gz GLKDJHRULJAYRY-GDBMZVCRSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044535063 175199260 /nfs/dbraw/zinc/19/92/60/175199260.db2.gz XELJORFIJSYZHZ-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000045598294 175381888 /nfs/dbraw/zinc/38/18/88/175381888.db2.gz VLHVMUMHMUTSLD-JSGCOSHPSA-N 2 0 250.386 2.834 20 0 CFADRP c1cc2c(cccc2C[NH2+]CCC[NH+]2CCCC2)[nH]1 ZINC000070938703 176013353 /nfs/dbraw/zinc/01/33/53/176013353.db2.gz ZBEYCTXITRFMSM-UHFFFAOYSA-N 2 0 257.381 2.743 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423014155 298964004 /nfs/dbraw/zinc/96/40/04/298964004.db2.gz HMLJEHCPSORMLB-GVARAGBVSA-N 2 0 282.815 2.885 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000369728960 287367864 /nfs/dbraw/zinc/36/78/64/287367864.db2.gz FRKFQUMJKOODHC-KGLIPLIRSA-N 2 0 268.470 2.688 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422877988 533683820 /nfs/dbraw/zinc/68/38/20/533683820.db2.gz JIKURXDWWFCYRY-UWVGGRQHSA-N 2 0 290.329 2.929 20 0 CFADRP c1ccc(SCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400943805 420503417 /nfs/dbraw/zinc/50/34/17/420503417.db2.gz UCOIFTAAFCWBHA-QLFBSQMISA-N 2 0 276.449 2.756 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397310629 270317162 /nfs/dbraw/zinc/31/71/62/270317162.db2.gz OSDSMOMYSVDFGZ-AGIUHOORSA-N 2 0 252.427 2.862 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000397334177 270317369 /nfs/dbraw/zinc/31/73/69/270317369.db2.gz XUGRWZZOLNSYMC-YRGRVCCFSA-N 2 0 250.361 2.631 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000221675088 270254904 /nfs/dbraw/zinc/25/49/04/270254904.db2.gz FQDIHUZTXNAYTO-ARFHVFGLSA-N 2 0 281.488 2.712 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000517246966 260131547 /nfs/dbraw/zinc/13/15/47/260131547.db2.gz FQRDMYUPHLJBOK-UONOGXRCSA-N 2 0 261.413 2.527 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000525486743 260197617 /nfs/dbraw/zinc/19/76/17/260197617.db2.gz GCOLQQKEFUSEPM-KRWDZBQOSA-N 2 0 290.451 2.956 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312865491 260214492 /nfs/dbraw/zinc/21/44/92/260214492.db2.gz SNMLABWOHKLQNR-UPJWGTAASA-N 2 0 280.362 2.957 20 0 CFADRP O[C@@H](C[NH2+][C@@H]1CCCC12CCCCC2)C[NH+]1CCCC1 ZINC000312986540 260227747 /nfs/dbraw/zinc/22/77/47/260227747.db2.gz GBCGCRFQTUSYNP-JKSUJKDBSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313296439 260278992 /nfs/dbraw/zinc/27/89/92/260278992.db2.gz LFNLBZCTAPNGFJ-IJEWVQPXSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOCC2CCCC2)CC1 ZINC000313307704 260281306 /nfs/dbraw/zinc/28/13/06/260281306.db2.gz UEJMQONCSTWNLK-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP COc1ccc(OCCC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000518783049 262054672 /nfs/dbraw/zinc/05/46/72/262054672.db2.gz XELFQKXIYIRCKY-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390386320 262186604 /nfs/dbraw/zinc/18/66/04/262186604.db2.gz DDYYPQAKMWCKLJ-ZWKOTPCHSA-N 2 0 298.434 2.539 20 0 CFADRP Cc1ccc(OCCC[NH+]2CCC(C[NH3+])CC2)cc1C ZINC000020267185 262244632 /nfs/dbraw/zinc/24/46/32/262244632.db2.gz PRDFXHTWHFDLEX-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000422780895 274236389 /nfs/dbraw/zinc/23/63/89/274236389.db2.gz KYXAEDDKJMVDJG-NXEZZACHSA-N 2 0 260.303 2.921 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000390836173 262350149 /nfs/dbraw/zinc/35/01/49/262350149.db2.gz QOHYDZHELDTIMU-BFZKSOEOSA-N 2 0 279.472 2.512 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000391108623 262381627 /nfs/dbraw/zinc/38/16/27/262381627.db2.gz YWSNILFQVPEUBE-OCCSQVGLSA-N 2 0 281.469 2.894 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)COC1 ZINC000348326341 265149992 /nfs/dbraw/zinc/14/99/92/265149992.db2.gz XWSKBUQSFYRYAU-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000314652558 265173458 /nfs/dbraw/zinc/17/34/58/265173458.db2.gz GSATWPUCVVBSCB-SJORKVTESA-N 2 0 288.435 2.614 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000258861408 270274353 /nfs/dbraw/zinc/27/43/53/270274353.db2.gz ACWZMQQWJVOKBS-OAHLLOKOSA-N 2 0 262.397 2.706 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000192722005 270233255 /nfs/dbraw/zinc/23/32/55/270233255.db2.gz ZXCFJLBPQLKKPE-ZWKOTPCHSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192757300 270233847 /nfs/dbraw/zinc/23/38/47/270233847.db2.gz GPIQBNKGRWRABA-SFHVURJKSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192746997 270234003 /nfs/dbraw/zinc/23/40/03/270234003.db2.gz YMQGXEMLWVCSRN-UHFFFAOYSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000258898945 270274444 /nfs/dbraw/zinc/27/44/44/270274444.db2.gz DEMRPUUCOGYSQY-HNNXBMFYSA-N 2 0 262.397 2.563 20 0 CFADRP c1ccc2c(c1)cccc2OCC[NH2+]CC1CC[NH2+]CC1 ZINC000260589868 270275226 /nfs/dbraw/zinc/27/52/26/270275226.db2.gz QQTOKVKZRJUTAC-UHFFFAOYSA-N 2 0 284.403 2.808 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCC1 ZINC000322597212 270296285 /nfs/dbraw/zinc/29/62/85/270296285.db2.gz XLIXNGOMUZLMPN-MSOLQXFVSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000396406007 270314907 /nfs/dbraw/zinc/31/49/07/270314907.db2.gz DIQVYRTUSPAISM-MRXNPFEDSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C[NH3+] ZINC000397464139 270318476 /nfs/dbraw/zinc/31/84/76/270318476.db2.gz SIABZTVAJGEACY-HLLBOEOZSA-N 2 0 298.434 2.678 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CSC[C@@H]1C ZINC000397918030 270320671 /nfs/dbraw/zinc/32/06/71/270320671.db2.gz FQWPZHASNUVKAX-RFQIPJPRSA-N 2 0 256.459 2.638 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422931536 270332422 /nfs/dbraw/zinc/33/24/22/270332422.db2.gz XTSJOUYEFHCSBV-CVEARBPZSA-N 2 0 258.409 2.869 20 0 CFADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423012139 270332679 /nfs/dbraw/zinc/33/26/79/270332679.db2.gz KAEZENGSUGCAJX-BRWVUGGUSA-N 2 0 273.424 2.790 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459395526 270337455 /nfs/dbraw/zinc/33/74/55/270337455.db2.gz HYFCANCBRRCORB-PBHICJAKSA-N 2 0 289.423 2.598 20 0 CFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCCC1)CC(F)(F)F ZINC000515166492 270363786 /nfs/dbraw/zinc/36/37/86/270363786.db2.gz RYALEMOLGUBUFO-CYBMUJFWSA-N 2 0 296.377 2.546 20 0 CFADRP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000515277258 270365809 /nfs/dbraw/zinc/36/58/09/270365809.db2.gz BMNFXFQBKZQVLY-ZDUSSCGKSA-N 2 0 272.383 2.886 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)c2ccccc21 ZINC000516273607 270379815 /nfs/dbraw/zinc/37/98/15/270379815.db2.gz FTKZRTOBHGXOHU-IRXDYDNUSA-N 2 0 292.386 2.840 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000516562135 270383899 /nfs/dbraw/zinc/38/38/99/270383899.db2.gz SCGHNTKFYMCTLX-QGZVFWFLSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000516894354 270390658 /nfs/dbraw/zinc/39/06/58/270390658.db2.gz AFFPPAPHTXQONO-TZMCWYRMSA-N 2 0 275.421 2.902 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOCC1CCC1 ZINC000517024157 270395605 /nfs/dbraw/zinc/39/56/05/270395605.db2.gz KDNFNVOVAQNSSO-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOCC1CCC1 ZINC000517024158 270395842 /nfs/dbraw/zinc/39/58/42/270395842.db2.gz KDNFNVOVAQNSSO-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000531995207 270848252 /nfs/dbraw/zinc/84/82/52/270848252.db2.gz HDPYLRSCXQZEPV-XHSDSOJGSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccn1 ZINC000423321071 273621333 /nfs/dbraw/zinc/62/13/33/273621333.db2.gz GBAHPEIPXVDRHC-AWEZNQCLSA-N 2 0 261.413 2.902 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422910492 273722517 /nfs/dbraw/zinc/72/25/17/273722517.db2.gz QSTUDHJRXXMJIS-OIISXLGYSA-N 2 0 258.409 2.837 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414847248 273963548 /nfs/dbraw/zinc/96/35/48/273963548.db2.gz VTVSOQCEDSZLCU-KGLIPLIRSA-N 2 0 285.435 2.779 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423349587 274135242 /nfs/dbraw/zinc/13/52/42/274135242.db2.gz WZNOSPJFGQRTSN-QGZVFWFLSA-N 2 0 272.392 2.582 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000423209876 274138691 /nfs/dbraw/zinc/13/86/91/274138691.db2.gz FOBOZABDCHGKQW-HACGYAERSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000423535276 274246903 /nfs/dbraw/zinc/24/69/03/274246903.db2.gz CMZZFJQKHZRNAJ-CYBMUJFWSA-N 2 0 284.407 2.534 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423204245 274248899 /nfs/dbraw/zinc/24/88/99/274248899.db2.gz DFVFPDOZTGVZQO-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000423041758 274261360 /nfs/dbraw/zinc/26/13/60/274261360.db2.gz JRMHCECBVBCTSV-PXAZEXFGSA-N 2 0 274.383 2.959 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000361353931 274334922 /nfs/dbraw/zinc/33/49/22/274334922.db2.gz VLLLFZPGHBUGSS-UNEWFSDZSA-N 2 0 258.409 2.646 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000152237853 274340183 /nfs/dbraw/zinc/34/01/83/274340183.db2.gz NKJYZCDQIZUZET-HLLBOEOZSA-N 2 0 298.434 2.691 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccccc2C(F)(F)F)CC[NH2+]C1 ZINC000415075657 274450722 /nfs/dbraw/zinc/45/07/22/274450722.db2.gz BWSGOVDYPAIVNX-CYBMUJFWSA-N 2 0 272.314 2.795 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)CC[NH+](C)C ZINC000049553256 274479422 /nfs/dbraw/zinc/47/94/22/274479422.db2.gz NDBTUEFUCUGWPI-ZIAGYGMSSA-N 2 0 264.413 2.643 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423031322 274503391 /nfs/dbraw/zinc/50/33/91/274503391.db2.gz UWUCUNSTXSYHPE-OBJOEFQTSA-N 2 0 281.831 2.634 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccccc2C(F)(F)F)CC[NH2+]C1 ZINC000415075659 274651110 /nfs/dbraw/zinc/65/11/10/274651110.db2.gz BWSGOVDYPAIVNX-ZDUSSCGKSA-N 2 0 272.314 2.795 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC3 ZINC000414839872 274765944 /nfs/dbraw/zinc/76/59/44/274765944.db2.gz WSBVAERRJNAFHY-CABCVRRESA-N 2 0 297.446 2.923 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414991900 274956626 /nfs/dbraw/zinc/95/66/26/274956626.db2.gz BHFHDFSWWXIZOO-LYRGGWFBSA-N 2 0 278.827 2.914 20 0 CFADRP c1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000335043047 275064464 /nfs/dbraw/zinc/06/44/64/275064464.db2.gz LUSMYGHTWGPCRI-DOTOQJQBSA-N 2 0 284.359 2.625 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CO2 ZINC000423484439 275070035 /nfs/dbraw/zinc/07/00/35/275070035.db2.gz RDAZGJMLQKVVMA-CVEARBPZSA-N 2 0 274.408 2.502 20 0 CFADRP c1cncc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CCC2)c1 ZINC000280423880 275073911 /nfs/dbraw/zinc/07/39/11/275073911.db2.gz ZOKLXRKQTQJRAJ-RDTXWAMCSA-N 2 0 285.435 2.997 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCc4ccccc4OC3)ccc12 ZINC000414194986 275077441 /nfs/dbraw/zinc/07/74/41/275077441.db2.gz WKFBOVOMMCRJEN-INIZCTEOSA-N 2 0 293.370 2.818 20 0 CFADRP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335463618 275370510 /nfs/dbraw/zinc/37/05/10/275370510.db2.gz YVPBQEIZBYUJQU-AWEZNQCLSA-N 2 0 295.224 2.636 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000361756890 275627195 /nfs/dbraw/zinc/62/71/95/275627195.db2.gz PTEGOAWQCGXVLC-BZUAXINKSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1C ZINC000423349388 275680683 /nfs/dbraw/zinc/68/06/83/275680683.db2.gz WLOPELCUQJIWRZ-BMFZPTHFSA-N 2 0 250.430 2.957 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000250714008 275815068 /nfs/dbraw/zinc/81/50/68/275815068.db2.gz SLJRGAYGRQGPIR-GVDBMIGSSA-N 2 0 293.499 2.760 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000423014770 275896321 /nfs/dbraw/zinc/89/63/21/275896321.db2.gz JIOUIHZFIHJEBU-HZPDHXFCSA-N 2 0 258.409 2.509 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CNCC[C@H]3C)CC2)CC1 ZINC000335018369 275935978 /nfs/dbraw/zinc/93/59/78/275935978.db2.gz GPMNAMIXLUXUKH-AQEOSJORSA-N 2 0 293.499 2.617 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424271544 276014068 /nfs/dbraw/zinc/01/40/68/276014068.db2.gz SDVIOQQAEVDUFR-NRKLIOEPSA-N 2 0 280.456 2.512 20 0 CFADRP CC1(C)C[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423022370 276144948 /nfs/dbraw/zinc/14/49/48/276144948.db2.gz FCFWZUWUIUAJOM-QRTARXTBSA-N 2 0 272.392 2.630 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422790400 276148971 /nfs/dbraw/zinc/14/89/71/276148971.db2.gz UARHVUBLMPHQSA-MSOLQXFVSA-N 3 0 287.451 2.843 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](C3CCC3)CC2)CC1 ZINC000363772459 276196418 /nfs/dbraw/zinc/19/64/18/276196418.db2.gz IYIIJXXKJZJMFM-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000092796366 276198306 /nfs/dbraw/zinc/19/83/06/276198306.db2.gz YEXFRUZYAWHJTJ-RCCFBDPRSA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(O)CCC(C)CC2)[C@@H](C)C1 ZINC000305264671 276224352 /nfs/dbraw/zinc/22/43/52/276224352.db2.gz YOCOWVSVAXRJPY-YZUHTNEWSA-N 2 0 282.472 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC000352617632 276224959 /nfs/dbraw/zinc/22/49/59/276224959.db2.gz GLICZWOFWRCHCM-QXSJWSMHSA-N 2 0 268.445 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000346869191 276228606 /nfs/dbraw/zinc/22/86/06/276228606.db2.gz TZODCSRKCQTIRE-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@H](C)C1 ZINC000246556434 276229298 /nfs/dbraw/zinc/22/92/98/276229298.db2.gz BFRWTVUAOYQOAF-WHUJPVCOSA-N 2 0 284.447 2.892 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000453410576 276229331 /nfs/dbraw/zinc/22/93/31/276229331.db2.gz IAXNCODLAJKOMU-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H](C)C1 ZINC000246870666 276229848 /nfs/dbraw/zinc/22/98/48/276229848.db2.gz CZICEACBEBRVAH-IHRRRGAJSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000423504326 276272085 /nfs/dbraw/zinc/27/20/85/276272085.db2.gz FVPUDOVQBZOLOZ-HZPDHXFCSA-N 2 0 268.445 2.704 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449507401 276286381 /nfs/dbraw/zinc/28/63/81/276286381.db2.gz FEJNQVZOYQDDCX-CVEARBPZSA-N 2 0 296.455 2.571 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CC2CCOCC2)C1 ZINC000349968568 276306584 /nfs/dbraw/zinc/30/65/84/276306584.db2.gz HQBFSPBJKRHHRZ-RDJZCZTQSA-N 2 0 282.472 2.713 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000361568327 276334331 /nfs/dbraw/zinc/33/43/31/276334331.db2.gz WVWZXYWZGQHVCD-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000152620002 276335319 /nfs/dbraw/zinc/33/53/19/276335319.db2.gz BWLZXOJLMBOKJZ-IKGGRYGDSA-N 2 0 282.472 2.925 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000193429894 276358625 /nfs/dbraw/zinc/35/86/25/276358625.db2.gz UQABSVMDWPQPSW-RCCFBDPRSA-N 2 0 288.435 2.981 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000344030105 276365448 /nfs/dbraw/zinc/36/54/48/276365448.db2.gz YPAPKRLFCVRIJX-IRXDYDNUSA-N 2 0 292.467 2.941 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422741026 276382896 /nfs/dbraw/zinc/38/28/96/276382896.db2.gz OVODUWPEUIPBKI-UKRRQHHQSA-N 2 0 262.397 2.692 20 0 CFADRP CC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422898127 276435301 /nfs/dbraw/zinc/43/53/01/276435301.db2.gz LGZVURFBBNNQST-CVEARBPZSA-N 2 0 276.399 2.978 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@@H]1C ZINC000414087181 276583623 /nfs/dbraw/zinc/58/36/23/276583623.db2.gz IEEYOOKOMHVBTP-JWYNJWGYSA-N 2 0 294.483 2.779 20 0 CFADRP C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)CC[NH+]1CCCC1 ZINC000340473574 276803556 /nfs/dbraw/zinc/80/35/56/276803556.db2.gz LYWQUOJOSBIAOU-ZACQAIPSSA-N 2 0 292.467 2.800 20 0 CFADRP C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000357072236 276803964 /nfs/dbraw/zinc/80/39/64/276803964.db2.gz HBEDSNKZKJQPLF-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP C1[C@@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@@H]1C1CC[NH2+]CC1 ZINC000423446144 276853927 /nfs/dbraw/zinc/85/39/27/276853927.db2.gz SMBZVXXMQHLZSB-UYTYNIKBSA-N 2 0 292.467 2.559 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000227328701 277025277 /nfs/dbraw/zinc/02/52/77/277025277.db2.gz ZNFKSFPEAYRXQM-OAHLLOKOSA-N 2 0 288.435 2.874 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000219297203 277025533 /nfs/dbraw/zinc/02/55/33/277025533.db2.gz BRGZZJOUZCIAIQ-CQSZACIVSA-N 2 0 262.397 2.979 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441292185 277044092 /nfs/dbraw/zinc/04/40/92/277044092.db2.gz SZGFTZVADZJTFC-YESZJQIVSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000334782276 277046271 /nfs/dbraw/zinc/04/62/71/277046271.db2.gz QWAURICOHMOFFD-DLBZAZTESA-N 2 0 280.456 2.753 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423223471 277082530 /nfs/dbraw/zinc/08/25/30/277082530.db2.gz ABXDKUAZDBPXAA-VCANKDNSSA-N 2 0 275.396 2.566 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423346731 277082826 /nfs/dbraw/zinc/08/28/26/277082826.db2.gz QBBTWSQTCZPCBO-CXAGYDPISA-N 2 0 289.423 2.685 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093210590 277087806 /nfs/dbraw/zinc/08/78/06/277087806.db2.gz IIQGQYDDQDDLTE-HZUKXOBISA-N 2 0 275.396 2.566 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337556786 277151800 /nfs/dbraw/zinc/15/18/00/277151800.db2.gz RVNUFEKJECFYSY-OLZOCXBDSA-N 2 0 290.398 2.999 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@H]2CCC[C@@H]21 ZINC000353535616 277170580 /nfs/dbraw/zinc/17/05/80/277170580.db2.gz WKRCXWVHCDREDN-ILXRZTDVSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000353587342 277171499 /nfs/dbraw/zinc/17/14/99/277171499.db2.gz HOUQLHSYKIGAIF-MQYQWHSLSA-N 2 0 272.383 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@H]2CCC[C@@H]21 ZINC000424285361 277171926 /nfs/dbraw/zinc/17/19/26/277171926.db2.gz DQBJAQXYOZQQGR-QEOTZNIISA-N 2 0 262.441 2.885 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC000336124969 277185827 /nfs/dbraw/zinc/18/58/27/277185827.db2.gz WGRRXSOYNPPEQQ-KBPBESRZSA-N 2 0 272.383 2.840 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449112799 277207034 /nfs/dbraw/zinc/20/70/34/277207034.db2.gz SUPDFWOWNZMMCT-BFYDXBDKSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423276400 277282723 /nfs/dbraw/zinc/28/27/23/277282723.db2.gz OJVBFZNKNLELGV-PGUXBMHVSA-N 2 0 250.361 2.504 20 0 CFADRP CO[C@@]1(C)CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000366453275 277319069 /nfs/dbraw/zinc/31/90/69/277319069.db2.gz IPHIRBGHHQDLTF-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000419234721 277326832 /nfs/dbraw/zinc/32/68/32/277326832.db2.gz IIECDUXCESTAOY-JQHSSLGASA-N 2 0 294.483 2.996 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000090586510 277392297 /nfs/dbraw/zinc/39/22/97/277392297.db2.gz GSFHKUPZLYLHKI-OWSLCNJRSA-N 2 0 295.515 2.673 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000423118695 277428415 /nfs/dbraw/zinc/42/84/15/277428415.db2.gz BYFPYPDBWDIPMM-UONOGXRCSA-N 2 0 292.423 2.805 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000235068499 277508000 /nfs/dbraw/zinc/50/80/00/277508000.db2.gz KJEIDKXIVFPQPA-STQMWFEESA-N 2 0 256.459 2.782 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000423295332 277602104 /nfs/dbraw/zinc/60/21/04/277602104.db2.gz WPOXGBVWYBYJPG-WBMJQRKESA-N 2 0 284.407 2.607 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C)(C)CC2)CC1 ZINC000337313860 277609543 /nfs/dbraw/zinc/60/95/43/277609543.db2.gz HFWOHHWMOQASAW-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000193007443 277610678 /nfs/dbraw/zinc/61/06/78/277610678.db2.gz SOBNYZQLBZXTTK-IAGOWNOFSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCOC1 ZINC000356859281 277615260 /nfs/dbraw/zinc/61/52/60/277615260.db2.gz XSRZSNPEKAIDOQ-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423358293 277620863 /nfs/dbraw/zinc/62/08/63/277620863.db2.gz JGMRZNTWNGEXDO-ZIAGYGMSSA-N 2 0 261.413 2.545 20 0 CFADRP C(COCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459766039 277720152 /nfs/dbraw/zinc/72/01/52/277720152.db2.gz DPGOPVGIVAOPGX-GVLSGGHMSA-N 2 0 292.467 2.559 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000179584135 277887669 /nfs/dbraw/zinc/88/76/69/277887669.db2.gz KPXOZHOOQNWDEK-HUUCEWRRSA-N 2 0 280.456 2.750 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423252786 277982156 /nfs/dbraw/zinc/98/21/56/277982156.db2.gz URSITUMJVXQCSN-DYVFJYSZSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000289128955 277996926 /nfs/dbraw/zinc/99/69/26/277996926.db2.gz DTKOTYOXXDZFPC-CQSZACIVSA-N 2 0 280.387 2.753 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2scnc2C2CC2)C[C@H]1C[NH3+] ZINC000422564426 278006520 /nfs/dbraw/zinc/00/65/20/278006520.db2.gz VZRBOGHUPFDASU-NTZNESFSSA-N 2 0 279.453 2.826 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423242505 278049730 /nfs/dbraw/zinc/04/97/30/278049730.db2.gz MBTQWCPRAXEQGV-GVDBMIGSSA-N 2 0 275.440 2.527 20 0 CFADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)CC2 ZINC000423062394 278052218 /nfs/dbraw/zinc/05/22/18/278052218.db2.gz MVVSOHNEVGYZTH-PXAZEXFGSA-N 2 0 258.409 2.995 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCOC3(CCC3)C2)CC[NH+](C)CC1 ZINC000449340822 278125827 /nfs/dbraw/zinc/12/58/27/278125827.db2.gz XMGHNOJMAYZEBA-CQSZACIVSA-N 2 0 298.496 2.505 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422920202 278126105 /nfs/dbraw/zinc/12/61/05/278126105.db2.gz LUMAUNBXAMAGBQ-LSDHHAIUSA-N 2 0 292.448 2.633 20 0 CFADRP CS[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414705513 278143183 /nfs/dbraw/zinc/14/31/83/278143183.db2.gz KKAYGQAFBVXQNA-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401013507 278200917 /nfs/dbraw/zinc/20/09/17/278200917.db2.gz HVZMEMHUUBPKFJ-UMVBOHGHSA-N 2 0 250.430 2.933 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222909774 278210168 /nfs/dbraw/zinc/21/01/68/278210168.db2.gz IIQGQYDDQDDLTE-SGIREYDYSA-N 2 0 275.396 2.566 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422865852 278216771 /nfs/dbraw/zinc/21/67/71/278216771.db2.gz POOFVHVJILQGAI-WCVJEAGWSA-N 2 0 279.472 2.512 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000226332683 278228139 /nfs/dbraw/zinc/22/81/39/278228139.db2.gz XKTWNVHOSNOJTC-SGMGOOAPSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414875922 278245264 /nfs/dbraw/zinc/24/52/64/278245264.db2.gz KNOABVXLMBTWEU-QWRGUYRKSA-N 2 0 274.330 2.821 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)C1CCSCC1 ZINC000187166145 278256994 /nfs/dbraw/zinc/25/69/94/278256994.db2.gz BPFZZDQQXQTFLJ-ZDUSSCGKSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000369849363 278262166 /nfs/dbraw/zinc/26/21/66/278262166.db2.gz BKSFPBUKZKWWOC-OWLYRPNTSA-N 2 0 288.435 2.694 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423401433 278272298 /nfs/dbraw/zinc/27/22/98/278272298.db2.gz WDMDOLRXRDYMHK-ZMLRMANQSA-N 2 0 253.777 2.656 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415109264 278294788 /nfs/dbraw/zinc/29/47/88/278294788.db2.gz QXRDETJNTMAANT-OWLYRPNTSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423126140 278309850 /nfs/dbraw/zinc/30/98/50/278309850.db2.gz OGEKNRHOLMFFGP-BFJAYTPKSA-N 2 0 276.424 2.948 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCOC1(C)C ZINC000340183463 278332253 /nfs/dbraw/zinc/33/22/53/278332253.db2.gz DHICMYIIEMVRIE-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cn[nH]c1 ZINC000340472639 278343516 /nfs/dbraw/zinc/34/35/16/278343516.db2.gz IQKSBACPMIXDTP-ZIAGYGMSSA-N 2 0 264.417 2.572 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000423126853 278354039 /nfs/dbraw/zinc/35/40/39/278354039.db2.gz JDTPLHLFWDMVBN-FRRDWIJNSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423111855 278366330 /nfs/dbraw/zinc/36/63/30/278366330.db2.gz WUBMTADXFVFSHV-WQVCFCJDSA-N 2 0 295.858 2.673 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1C ZINC000415000864 278589762 /nfs/dbraw/zinc/58/97/62/278589762.db2.gz BSBCBZTYBPIGBU-LKAFINOVSA-N 2 0 250.430 2.789 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)[C@H]1OC ZINC000423540559 278636158 /nfs/dbraw/zinc/63/61/58/278636158.db2.gz JVHXFEXAKNZACF-XJTKPRQNSA-N 2 0 294.483 2.804 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccncc1 ZINC000423550009 288072160 /nfs/dbraw/zinc/07/21/60/288072160.db2.gz NOSMCWIFUMRIGC-FPCVCCKLSA-N 2 0 259.397 2.510 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349259 278872032 /nfs/dbraw/zinc/87/20/32/278872032.db2.gz VGIYNJWYTCTRAW-CVEARBPZSA-N 2 0 261.413 2.902 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCC(O)CC2)C1 ZINC000353444459 278884231 /nfs/dbraw/zinc/88/42/31/278884231.db2.gz UVRCMHFIRGNLLS-NUWOQIAWSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCSc3ccccc32)CC[NH2+]1 ZINC000423381657 278925821 /nfs/dbraw/zinc/92/58/21/278925821.db2.gz OKRLKOVIMCRZPQ-DYEKYZERSA-N 2 0 262.422 2.954 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000250587927 278929050 /nfs/dbraw/zinc/92/90/50/278929050.db2.gz YXODTWVSJVUHIC-QLFBSQMISA-N 2 0 270.461 2.756 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000423537159 278929085 /nfs/dbraw/zinc/92/90/85/278929085.db2.gz BWKDWNUAWCMUAQ-BPKGMFCQSA-N 2 0 294.483 2.804 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637676 278932613 /nfs/dbraw/zinc/93/26/13/278932613.db2.gz VPJREBLXSFPXNO-JZXOWHBKSA-N 2 0 295.515 2.959 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423377040 288089358 /nfs/dbraw/zinc/08/93/58/288089358.db2.gz VOYQLTFAHYIXLR-JYJNAYRXSA-N 2 0 290.407 2.784 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OC)cc1 ZINC000423365504 288090241 /nfs/dbraw/zinc/09/02/41/288090241.db2.gz BVOQOGWUGQKVPV-INWMFGNUSA-N 2 0 262.397 2.876 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423489791 279014268 /nfs/dbraw/zinc/01/42/68/279014268.db2.gz GWLNHEGLFXXOKA-MMYVAXCBSA-N 2 0 262.372 2.776 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423383443 279014851 /nfs/dbraw/zinc/01/48/51/279014851.db2.gz FCYFVRQLIAERJQ-XYPYXGAPSA-N 2 0 262.372 2.647 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423043069 279059835 /nfs/dbraw/zinc/05/98/35/279059835.db2.gz NEWGWQFUZSLBJF-WCVJEAGWSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000414166153 279061499 /nfs/dbraw/zinc/06/14/99/279061499.db2.gz DMUVVNWNTSIZPG-QCODTGAPSA-N 2 0 250.430 2.883 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000372811317 279094324 /nfs/dbraw/zinc/09/43/24/279094324.db2.gz DKHYLMFEACJCCU-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000365056910 279100001 /nfs/dbraw/zinc/10/00/01/279100001.db2.gz XASZJZQSSXRGSC-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189937330 279101162 /nfs/dbraw/zinc/10/11/62/279101162.db2.gz LNSPAWKRUGVMAZ-CQSZACIVSA-N 2 0 295.475 2.633 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000351654916 279108963 /nfs/dbraw/zinc/10/89/63/279108963.db2.gz HOUJXEILFHYLRY-HOTGVXAUSA-N 2 0 270.461 2.761 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423426477 279117710 /nfs/dbraw/zinc/11/77/10/279117710.db2.gz FEWNXTMRRFYUSC-AEGPPILISA-N 2 0 291.464 2.807 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184659879 279124814 /nfs/dbraw/zinc/12/48/14/279124814.db2.gz VWQRQSGNUBXASX-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422694760 279138123 /nfs/dbraw/zinc/13/81/23/279138123.db2.gz OMUDQOIYWLXKES-CRAIPNDOSA-N 2 0 289.467 2.616 20 0 CFADRP CC[NH+](CC)[C@@H](C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000355292271 279144992 /nfs/dbraw/zinc/14/49/92/279144992.db2.gz OLCCCNOEXXFKPL-AWEZNQCLSA-N 2 0 269.477 2.569 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000334584810 279176828 /nfs/dbraw/zinc/17/68/28/279176828.db2.gz IYGGIMPNOXUHAX-DLBZAZTESA-N 2 0 258.409 2.920 20 0 CFADRP CC[N@H+](CCC[NH2+]C)[C@H](C)Cc1ccc(OC)cc1 ZINC000435876537 279184152 /nfs/dbraw/zinc/18/41/52/279184152.db2.gz YTZBRALXMPIILT-CQSZACIVSA-N 2 0 264.413 2.558 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300410394 279249082 /nfs/dbraw/zinc/24/90/82/279249082.db2.gz HIJMTCDSORABGE-VWYCJHECSA-N 2 0 250.308 2.544 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089625 279275186 /nfs/dbraw/zinc/27/51/86/279275186.db2.gz YZXRPZAQWLHVSZ-IXDOHACOSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2cccnc2CC1)C[NH+]1CCCC1 ZINC000421819102 279350850 /nfs/dbraw/zinc/35/08/50/279350850.db2.gz FDOXCKXCKIHWGP-NVXWUHKLSA-N 2 0 287.451 2.651 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1COc2ccccc2C1 ZINC000262216940 279372066 /nfs/dbraw/zinc/37/20/66/279372066.db2.gz MGIADODKVXDAGO-OIISXLGYSA-N 2 0 288.435 2.891 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882105 279378338 /nfs/dbraw/zinc/37/83/38/279378338.db2.gz BNMVKLRBESWZQC-YGRLFVJLSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422977109 279379636 /nfs/dbraw/zinc/37/96/36/279379636.db2.gz JMVONTAFQVIOCA-KCXAZCMYSA-N 2 0 262.397 2.573 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435446838 279380593 /nfs/dbraw/zinc/38/05/93/279380593.db2.gz MHDWWXKECFXPBB-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)(C)C ZINC000305771658 279456091 /nfs/dbraw/zinc/45/60/91/279456091.db2.gz RIJFWGLXLYZJOB-NUEKZKHPSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]1C[N@@H+](C2CCC(C(F)F)CC2)C[C@@]1(C)C[NH3+] ZINC000335054581 288133326 /nfs/dbraw/zinc/13/33/26/288133326.db2.gz CUEVRPFMADOSRU-MLCFOIATSA-N 2 0 260.372 2.727 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414845489 279508482 /nfs/dbraw/zinc/50/84/82/279508482.db2.gz DOWUNSBNZKIZBL-ARLBYUKCSA-N 2 0 250.430 2.933 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414957202 279516035 /nfs/dbraw/zinc/51/60/35/279516035.db2.gz NXPDZAQLLWVQNO-ZMSDIMECSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@H]1CCC[NH2+]C1 ZINC000422932474 279520205 /nfs/dbraw/zinc/52/02/05/279520205.db2.gz FXGKZTIQMQRBLO-DETPVDSQSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000453623413 279655043 /nfs/dbraw/zinc/65/50/43/279655043.db2.gz BLKUNVROMJEEPP-MVJTYMMSSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000423538651 279699642 /nfs/dbraw/zinc/69/96/42/279699642.db2.gz GSWQQHWXNWGNNZ-DGADGQDISA-N 2 0 280.456 2.556 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCC23CCC3)C[C@H](C)O1 ZINC000337421075 288161253 /nfs/dbraw/zinc/16/12/53/288161253.db2.gz FRVNSGNBGMWXQQ-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827607 279762885 /nfs/dbraw/zinc/76/28/85/279762885.db2.gz SJZOSCLMSWXWFD-IMJJTQAJSA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000447568819 279867046 /nfs/dbraw/zinc/86/70/46/279867046.db2.gz MTNLBHOUNCBXIU-JKSUJKDBSA-N 2 0 280.456 2.654 20 0 CFADRP CCSCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246279269 280037506 /nfs/dbraw/zinc/03/75/06/280037506.db2.gz AVAHQOHWYYJSFL-DZGCQCFKSA-N 2 0 268.470 2.688 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000414919311 280159082 /nfs/dbraw/zinc/15/90/82/280159082.db2.gz WQWQTYJAHLYXTH-SJORKVTESA-N 2 0 258.409 2.523 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422886034 280186362 /nfs/dbraw/zinc/18/63/62/280186362.db2.gz VSTTZUWEJISHKK-BBWFWOEESA-N 3 0 281.488 2.619 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423020279 280341217 /nfs/dbraw/zinc/34/12/17/280341217.db2.gz ZSAIHXRYPRBKLT-OAGGEKHMSA-N 2 0 282.472 2.684 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([NH2+]C(C)C)CC2)CCO1 ZINC000356988284 280533227 /nfs/dbraw/zinc/53/32/27/280533227.db2.gz KTRDLURHUZAZKB-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000090526193 280569135 /nfs/dbraw/zinc/56/91/35/280569135.db2.gz ZCGZZFDGGULJDN-SJORKVTESA-N 2 0 292.467 2.533 20 0 CFADRP CCC[C@H](C(=O)OCC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123427851 280633053 /nfs/dbraw/zinc/63/30/53/280633053.db2.gz PJGKNILBYNQGLT-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000357725044 280823757 /nfs/dbraw/zinc/82/37/57/280823757.db2.gz BNPUWKOHIZMSQA-YNEHKIRRSA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000186593382 280849207 /nfs/dbraw/zinc/84/92/07/280849207.db2.gz XXYUAMWNNUQEAD-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000247037182 281003945 /nfs/dbraw/zinc/00/39/45/281003945.db2.gz NYTBLYWWAMSQKC-BRWVUGGUSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000247974988 281017779 /nfs/dbraw/zinc/01/77/79/281017779.db2.gz KQWLBLNWSISETH-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000248217901 281018765 /nfs/dbraw/zinc/01/87/65/281018765.db2.gz ZZVJADQQJCPQQJ-UXXRCYHCSA-N 2 0 270.486 2.979 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248159790 281018790 /nfs/dbraw/zinc/01/87/90/281018790.db2.gz RXOPQYWUWDCLQS-ROUUACIJSA-N 3 0 295.515 2.963 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000248217896 281018865 /nfs/dbraw/zinc/01/88/65/281018865.db2.gz ZZVJADQQJCPQQJ-BTFPBAQTSA-N 2 0 270.486 2.979 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000248183250 281018880 /nfs/dbraw/zinc/01/88/80/281018880.db2.gz WWEGAYNYAQINFW-YLFCFFPRSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248485801 281023466 /nfs/dbraw/zinc/02/34/66/281023466.db2.gz KXDWNYXETCEEES-ULQDDVLXSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000248525748 281025365 /nfs/dbraw/zinc/02/53/65/281025365.db2.gz UPMJOKXCLRRXDW-KGYLQXTDSA-N 2 0 267.442 2.627 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cn(C)c2c1 ZINC000437104200 281043779 /nfs/dbraw/zinc/04/37/79/281043779.db2.gz NPOPJWNGNTZKIG-QAPCUYQASA-N 2 0 299.462 2.959 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000249170980 281050576 /nfs/dbraw/zinc/05/05/76/281050576.db2.gz BJKITRDMJLVEAZ-IKGGRYGDSA-N 2 0 282.472 2.855 20 0 CFADRP COC[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249201986 281051897 /nfs/dbraw/zinc/05/18/97/281051897.db2.gz UENWCSJPPPBFQL-IRXDYDNUSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000252863709 281078018 /nfs/dbraw/zinc/07/80/18/281078018.db2.gz OSXPUALOHDUILS-IWCQGFGOSA-N 2 0 258.409 2.849 20 0 CFADRP C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000254985909 281082917 /nfs/dbraw/zinc/08/29/17/281082917.db2.gz HPTYCYVBIGJZKY-JBXOJTMHSA-N 2 0 258.409 2.973 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000259225069 281111545 /nfs/dbraw/zinc/11/15/45/281111545.db2.gz XSTHCEGMVDGCDN-VHSXEESVSA-N 2 0 289.242 2.523 20 0 CFADRP Brc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000259124663 281111652 /nfs/dbraw/zinc/11/16/52/281111652.db2.gz WHUAZPUHKWMKGJ-CYBMUJFWSA-N 2 0 283.213 2.681 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000259939877 281111678 /nfs/dbraw/zinc/11/16/78/281111678.db2.gz FXASTKZCKNFEAI-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP CCCc1csc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000261968477 281112355 /nfs/dbraw/zinc/11/23/55/281112355.db2.gz QCLGEAKXZQZQRZ-LBPRGKRZSA-N 2 0 267.442 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268796431 281117281 /nfs/dbraw/zinc/11/72/81/281117281.db2.gz ILSGXSVOMRUQCE-OFQRWUPVSA-N 2 0 276.424 2.934 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000268951801 281117844 /nfs/dbraw/zinc/11/78/44/281117844.db2.gz VLJUGZCREFHCCI-YOEHRIQHSA-N 2 0 294.414 2.713 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@H](C)C2 ZINC000423209287 281118809 /nfs/dbraw/zinc/11/88/09/281118809.db2.gz IXOZUYCMNTUUDI-CKEIUWERSA-N 2 0 258.409 2.818 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423131809 281119237 /nfs/dbraw/zinc/11/92/37/281119237.db2.gz OLLPPHFIZGZPMH-SMLCLMEVSA-N 2 0 280.456 2.702 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000296259435 281142346 /nfs/dbraw/zinc/14/23/46/281142346.db2.gz DFEBQTNSAOAYMF-CIRFHOKZSA-N 2 0 290.451 2.562 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000305149669 281150969 /nfs/dbraw/zinc/15/09/69/281150969.db2.gz SXJVVXHFMHRBJN-RBSFLKMASA-N 2 0 270.461 2.636 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@H](C[NH+](C)C)C3)c2c1 ZINC000335929891 281170101 /nfs/dbraw/zinc/17/01/01/281170101.db2.gz GRILPNFSSDTZAG-CQSZACIVSA-N 2 0 269.392 2.931 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@H](C)C[NH+]3CCN(C)CC3)c2c1 ZINC000302162768 281171679 /nfs/dbraw/zinc/17/16/79/281171679.db2.gz QBNMPZGSPKGCCG-OAHLLOKOSA-N 2 0 298.434 2.591 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000396934904 281199286 /nfs/dbraw/zinc/19/92/86/281199286.db2.gz FXDBGFWREFRBRF-AXFHLTTASA-N 2 0 252.324 2.647 20 0 CFADRP CC(C)c1ccc([C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000397028899 281200337 /nfs/dbraw/zinc/20/03/37/281200337.db2.gz AKNJZPLQAYPUFO-CQSZACIVSA-N 2 0 276.424 2.657 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398128147 281204125 /nfs/dbraw/zinc/20/41/25/281204125.db2.gz ICOPAQLHYHJVDT-NEPJUHHUSA-N 2 0 264.360 2.516 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420371116 281219493 /nfs/dbraw/zinc/21/94/93/281219493.db2.gz KHHCLXUMICTSNM-HZPDHXFCSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420371659 281219605 /nfs/dbraw/zinc/21/96/05/281219605.db2.gz KVXIVSMEIIAJEG-MNEFBYGVSA-N 2 0 298.430 2.577 20 0 CFADRP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422929829 281222445 /nfs/dbraw/zinc/22/24/45/281222445.db2.gz RQDZTNHOHDYAEJ-QWRGUYRKSA-N 2 0 297.240 2.578 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000423776532 281225343 /nfs/dbraw/zinc/22/53/43/281225343.db2.gz QPSZOZVEQPWRJK-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCCC2 ZINC000424373550 281227766 /nfs/dbraw/zinc/22/77/66/281227766.db2.gz JRJOALPNEIWHCB-WCVJEAGWSA-N 2 0 280.456 2.974 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414677748 281249413 /nfs/dbraw/zinc/24/94/13/281249413.db2.gz JNKCZYXUBKPEDZ-CVEARBPZSA-N 2 0 276.424 2.694 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)no1 ZINC000459364794 281257361 /nfs/dbraw/zinc/25/73/61/281257361.db2.gz AMFSRRZZMTXJDP-CYBMUJFWSA-N 2 0 265.401 2.727 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC2CCCC2)C[C@H]1C ZINC000459367924 281258530 /nfs/dbraw/zinc/25/85/30/281258530.db2.gz VSTQLNLVHFIDKL-WBVHZDCISA-N 2 0 282.472 2.998 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000422959586 281270843 /nfs/dbraw/zinc/27/08/43/281270843.db2.gz STRSBRIVXOYDPG-ZQIUZPCESA-N 2 0 258.409 2.960 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cn1 ZINC000515060704 281289767 /nfs/dbraw/zinc/28/97/67/281289767.db2.gz ZJMQHKKNTHPKIS-LLVKDONJSA-N 2 0 259.328 2.530 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000335599891 281290611 /nfs/dbraw/zinc/29/06/11/281290611.db2.gz TVYNBIZSAQWWKZ-ZBCRRDGASA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000527000189 281323059 /nfs/dbraw/zinc/32/30/59/281323059.db2.gz CAJOTUOUGMESEA-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCN1CC[C@@H](C)C1 ZINC000527348169 281329729 /nfs/dbraw/zinc/32/97/29/281329729.db2.gz FIHNWUVVGQKVTK-KGLIPLIRSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000335758124 281392675 /nfs/dbraw/zinc/39/26/75/281392675.db2.gz XTZBRUPYHKGEHL-CVEARBPZSA-N 2 0 258.409 2.784 20 0 CFADRP CCc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC000531609883 281435397 /nfs/dbraw/zinc/43/53/97/281435397.db2.gz MJWHGPBKFSADID-UHFFFAOYSA-N 2 0 296.480 2.635 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000531984607 281444147 /nfs/dbraw/zinc/44/41/47/281444147.db2.gz XFFHFAFBDZAXPC-NVXWUHKLSA-N 2 0 280.456 2.654 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423473810 281463455 /nfs/dbraw/zinc/46/34/55/281463455.db2.gz OGFMFKJATKYBGC-GZBFAFLISA-N 2 0 261.413 2.812 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000537944679 281547205 /nfs/dbraw/zinc/54/72/05/281547205.db2.gz JZCDLUVRHUAQCD-HOTGVXAUSA-N 2 0 291.439 2.690 20 0 CFADRP CC1(F)CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423145919 281583027 /nfs/dbraw/zinc/58/30/27/281583027.db2.gz NDKMSOWMNGAYAL-VSSFCTHRSA-N 2 0 254.393 2.777 20 0 CFADRP C[C@H](Cc1ccsc1)[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000541236608 281600358 /nfs/dbraw/zinc/60/03/58/281600358.db2.gz SCHDWYDAEBUXKL-CQSZACIVSA-N 2 0 296.480 2.722 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000544357650 281664385 /nfs/dbraw/zinc/66/43/85/281664385.db2.gz VWCHIVDADNQSRV-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000558968132 281999693 /nfs/dbraw/zinc/99/96/93/281999693.db2.gz BATOWHXHDVOWNY-AEFFLSMTSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000560529697 282032453 /nfs/dbraw/zinc/03/24/53/282032453.db2.gz WSGPXGAFQGLWPW-GPANFISMSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000560907613 282043767 /nfs/dbraw/zinc/04/37/67/282043767.db2.gz BOOXETKBHLJQFM-BZZMCLGOSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000560907615 282043784 /nfs/dbraw/zinc/04/37/84/282043784.db2.gz BOOXETKBHLJQFM-LAVFITLUSA-N 2 0 294.483 2.923 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000560954319 282044582 /nfs/dbraw/zinc/04/45/82/282044582.db2.gz OLRGXTVFRLBMCS-CHWSQXEVSA-N 2 0 268.788 2.708 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CCCCC[C@H]2[NH3+])CCCCC1 ZINC000422750641 282046029 /nfs/dbraw/zinc/04/60/29/282046029.db2.gz DKXVDNIXCILEAZ-CABCVRRESA-N 2 0 267.461 2.501 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000353521741 282048582 /nfs/dbraw/zinc/04/85/82/282048582.db2.gz SIUCPNWBMJEELG-UHFFFAOYSA-N 3 0 293.499 2.856 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2CC2Cc3ccccc3C2)CC1 ZINC000562211446 282068352 /nfs/dbraw/zinc/06/83/52/282068352.db2.gz CJTFSOIHKZUBNP-UHFFFAOYSA-N 2 0 284.447 2.962 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)[C@H]1C ZINC000494914907 288564551 /nfs/dbraw/zinc/56/45/51/288564551.db2.gz MBDMPSJWJMDIFA-IJEWVQPXSA-N 2 0 276.424 2.761 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423549477 288599913 /nfs/dbraw/zinc/59/99/13/288599913.db2.gz SDRGADXBXIXRRP-DRPJVOAASA-N 2 0 273.424 2.683 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459808677 289117956 /nfs/dbraw/zinc/11/79/56/289117956.db2.gz SGXZNTVZJJMPOF-OLZOCXBDSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@]1(C[NH+]2CCC(F)(c3ccccc3)CC2)CC[NH2+]C1 ZINC000262097147 289163981 /nfs/dbraw/zinc/16/39/81/289163981.db2.gz VHVUQCYRVZJHOL-MRXNPFEDSA-N 2 0 276.399 2.947 20 0 CFADRP C[C@@]1([NH3+])CCCC[C@@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424350470 289190189 /nfs/dbraw/zinc/19/01/89/289190189.db2.gz XHHCKYKZCJFVQA-BXUZGUMPSA-N 2 0 278.400 2.563 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000194069520 289309663 /nfs/dbraw/zinc/30/96/63/289309663.db2.gz AADZXIYQECUDOV-MZBWOGCUSA-N 2 0 292.467 2.797 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc2cccnc12 ZINC000414828815 533692667 /nfs/dbraw/zinc/69/26/67/533692667.db2.gz JKEZUBUDUYYUGJ-AWEZNQCLSA-N 2 0 269.392 2.632 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000423126681 289733459 /nfs/dbraw/zinc/73/34/59/289733459.db2.gz SIHGPEYFKXGEFT-JJRVBVJISA-N 2 0 288.435 2.796 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CCCO ZINC000227922328 289735131 /nfs/dbraw/zinc/73/51/31/289735131.db2.gz FJQBJUAPLPUHOQ-HUUCEWRRSA-N 2 0 270.461 2.686 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422887239 289772960 /nfs/dbraw/zinc/77/29/60/289772960.db2.gz AQCQMNPXILYFFP-GJZGRUSLSA-N 2 0 290.455 2.533 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000353517282 289877262 /nfs/dbraw/zinc/87/72/62/289877262.db2.gz JUNNESUYBPYSBZ-GJZGRUSLSA-N 2 0 256.409 2.836 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000155679318 289923953 /nfs/dbraw/zinc/92/39/53/289923953.db2.gz MGLGESSEHBIFAM-BBWFWOEESA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370108731 290018128 /nfs/dbraw/zinc/01/81/28/290018128.db2.gz BFKJQAWKXMMJKQ-DOTOQJQBSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000261548046 290020021 /nfs/dbraw/zinc/02/00/21/290020021.db2.gz IZVGAZJFLLTGQI-UHIISALHSA-N 2 0 252.789 2.989 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195114718 290021245 /nfs/dbraw/zinc/02/12/45/290021245.db2.gz AITJNXXWGRZPKO-LJIGWXMPSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc2ccccc2n1C ZINC000423538061 290025519 /nfs/dbraw/zinc/02/55/19/290025519.db2.gz FDBDVIZQJOLIJO-ZQDZILKHSA-N 2 0 298.434 2.612 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cn1 ZINC000423282987 290044160 /nfs/dbraw/zinc/04/41/60/290044160.db2.gz VNEOCFAUAPTNEU-MJVIPROJSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195114679 290055282 /nfs/dbraw/zinc/05/52/82/290055282.db2.gz AITJNXXWGRZPKO-DLTWYDFYSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+][C@H]1CSC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000449235909 290060366 /nfs/dbraw/zinc/06/03/66/290060366.db2.gz WHWVVIDLXUUHLO-HOSILWTGSA-N 2 0 282.497 2.981 20 0 CFADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@H]12 ZINC000562646522 290062524 /nfs/dbraw/zinc/06/25/24/290062524.db2.gz ODQKWDWDBDEQCU-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP c1cncc([C@H]2CCC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)c1 ZINC000562955567 290085211 /nfs/dbraw/zinc/08/52/11/290085211.db2.gz BUJSKAWLVBLLKF-RDJZCZTQSA-N 2 0 273.424 2.697 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000562955528 290085283 /nfs/dbraw/zinc/08/52/83/290085283.db2.gz AGKQFLILIBLSLV-BBRMVZONSA-N 2 0 274.408 2.662 20 0 CFADRP CCCOc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000563132284 290106890 /nfs/dbraw/zinc/10/68/90/290106890.db2.gz UTELCQULDBDOGI-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000563136130 290107718 /nfs/dbraw/zinc/10/77/18/290107718.db2.gz SQNJFURHTWXRON-IAGOWNOFSA-N 2 0 258.409 2.680 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1nc2ccccc2n1C ZINC000563154277 290109646 /nfs/dbraw/zinc/10/96/46/290109646.db2.gz LPUHSIPCIPOJOR-CYBMUJFWSA-N 2 0 294.402 2.883 20 0 CFADRP [NH3+]CC12CCC(CC1)CN2Cc1ccc(-n2cccn2)cc1 ZINC000563420840 290147835 /nfs/dbraw/zinc/14/78/35/290147835.db2.gz AVGSIJKLBMEPKS-UHFFFAOYSA-N 2 0 296.418 2.576 20 0 CFADRP CCc1ccc(C[NH2+]CCCNCc2cccnc2)s1 ZINC000563421194 290148027 /nfs/dbraw/zinc/14/80/27/290148027.db2.gz LAYFYMKAAGFAMQ-UHFFFAOYSA-N 2 0 289.448 2.975 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563423132 290148696 /nfs/dbraw/zinc/14/86/96/290148696.db2.gz CVDQSEDVXNKXIP-CVEARBPZSA-N 2 0 262.397 2.583 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000563427533 290149789 /nfs/dbraw/zinc/14/97/89/290149789.db2.gz LKJPUYJSOCOHRB-STQMWFEESA-N 2 0 252.427 2.658 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@H](C)C1 ZINC000563444938 290153177 /nfs/dbraw/zinc/15/31/77/290153177.db2.gz TXIUKLPBORIWLR-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000563693801 290168789 /nfs/dbraw/zinc/16/87/89/290168789.db2.gz RISPVBBQHVBJSB-KURKYZTESA-N 3 0 295.515 2.961 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000564201181 290196323 /nfs/dbraw/zinc/19/63/23/290196323.db2.gz IAHWDCCJPCWWJH-IRXDYDNUSA-N 2 0 267.376 2.667 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc21 ZINC000564791784 290232606 /nfs/dbraw/zinc/23/26/06/290232606.db2.gz FAIASDWNPWXQKK-YESZJQIVSA-N 2 0 298.434 2.584 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[NH2+]C(C)C)C[C@H]1OC ZINC000564822366 290236272 /nfs/dbraw/zinc/23/62/72/290236272.db2.gz JFDWGCMLYIFXHT-ZIAGYGMSSA-N 2 0 256.434 2.558 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC23CCOCC3)CCCCCC1 ZINC000564822247 290236511 /nfs/dbraw/zinc/23/65/11/290236511.db2.gz JOARVHWKCOMWQR-CQSZACIVSA-N 2 0 266.429 2.587 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCSC(C)(C)C)C2)C1 ZINC000368318676 290251765 /nfs/dbraw/zinc/25/17/65/290251765.db2.gz SRXPFJKFIGSBMF-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)cc2F)[C@H](C)C1 ZINC000565081270 290266424 /nfs/dbraw/zinc/26/64/24/290266424.db2.gz MWMKIKRXFGFHFL-DYVFJYSZSA-N 2 0 294.414 2.996 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252849268 290266983 /nfs/dbraw/zinc/26/69/83/290266983.db2.gz GZAYGHGURDJMTD-DSPQJCBJSA-N 2 0 262.372 2.946 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565225033 290285018 /nfs/dbraw/zinc/28/50/18/290285018.db2.gz AYBBPTGMIGOOKL-VWYCJHECSA-N 2 0 252.324 2.823 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226288 290285527 /nfs/dbraw/zinc/28/55/27/290285527.db2.gz LXXWHXXWNOVNAB-ROUUACIJSA-N 3 0 287.451 2.642 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000565227266 290285799 /nfs/dbraw/zinc/28/57/99/290285799.db2.gz UCHKSWLCGDAFMC-CVEARBPZSA-N 2 0 276.424 2.932 20 0 CFADRP FC(F)c1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000565586288 290311108 /nfs/dbraw/zinc/31/11/08/290311108.db2.gz BYGGIBRETXZOPY-UHFFFAOYSA-N 2 0 254.324 2.856 20 0 CFADRP CC1(C)CCC[NH+]1CC1(C[N@H+]2CCCC2(C)C)COC1 ZINC000565796134 290325978 /nfs/dbraw/zinc/32/59/78/290325978.db2.gz TUYZGRHLWXOSKR-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566010215 290340675 /nfs/dbraw/zinc/34/06/75/290340675.db2.gz DZRUNGMKCGQIMJ-HUUCEWRRSA-N 2 0 278.827 2.814 20 0 CFADRP CC(C)c1[nH+]c(CN[C@@H](C)CC[NH+](C)C)c2ccccn21 ZINC000566073630 290345089 /nfs/dbraw/zinc/34/50/89/290345089.db2.gz OVRVMGBTNNCXRQ-AWEZNQCLSA-N 2 0 288.439 2.888 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000566230436 290360831 /nfs/dbraw/zinc/36/08/31/290360831.db2.gz SCDUCIZPRYJNNO-OAHLLOKOSA-N 2 0 264.438 2.886 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245258 290362261 /nfs/dbraw/zinc/36/22/61/290362261.db2.gz GNCWBXYHYCUSGA-ZDUSSCGKSA-N 2 0 255.365 2.700 20 0 CFADRP Oc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000566352082 290373841 /nfs/dbraw/zinc/37/38/41/290373841.db2.gz VAVADAOTFPVEGA-UHFFFAOYSA-N 2 0 294.398 2.596 20 0 CFADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000566473602 290390375 /nfs/dbraw/zinc/39/03/75/290390375.db2.gz JZYVVBBSSRYOMY-KGLIPLIRSA-N 2 0 289.423 2.607 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000566481019 290392663 /nfs/dbraw/zinc/39/26/63/290392663.db2.gz DWWXPCSPDZRGSA-INMHGKMJSA-N 2 0 279.472 2.643 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566482236 290393125 /nfs/dbraw/zinc/39/31/25/290393125.db2.gz LTNPGZZQTQNXDT-BBWFWOEESA-N 3 0 281.488 2.747 20 0 CFADRP Cc1c(Br)cccc1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000566482217 290393173 /nfs/dbraw/zinc/39/31/73/290393173.db2.gz MUBUNNLHNXHMOB-RISCZKNCSA-N 2 0 297.240 2.988 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000566482841 290393837 /nfs/dbraw/zinc/39/38/37/290393837.db2.gz QWGNHTKBMMXMQI-DLBZAZTESA-N 2 0 276.424 2.971 20 0 CFADRP CC1(C)CCC(O)(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000566501538 290396200 /nfs/dbraw/zinc/39/62/00/290396200.db2.gz RGKQRYMWSNTXME-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)C(O)(CC)CC)CC1 ZINC000566502197 290396759 /nfs/dbraw/zinc/39/67/59/290396759.db2.gz YKTXDFSVPKQJTM-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c[nH]c2c1 ZINC000566629453 290406581 /nfs/dbraw/zinc/40/65/81/290406581.db2.gz GNOIBGJPYIXAPH-HUUCEWRRSA-N 2 0 271.408 2.878 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000567639001 290480410 /nfs/dbraw/zinc/48/04/10/290480410.db2.gz GWVRIDZXSOYBMJ-ZIAGYGMSSA-N 2 0 276.424 2.776 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000567639996 290480528 /nfs/dbraw/zinc/48/05/28/290480528.db2.gz UVHSDMUSSSHWMP-WXLSXGNJSA-N 2 0 268.445 2.559 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568782339 290570639 /nfs/dbraw/zinc/57/06/39/290570639.db2.gz NBSUCQOKNNROKM-LZWOXQAQSA-N 2 0 274.408 2.932 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000568880500 290575853 /nfs/dbraw/zinc/57/58/53/290575853.db2.gz KRQJALXIYBZTGY-KBPBESRZSA-N 2 0 285.391 2.603 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000568974436 290579761 /nfs/dbraw/zinc/57/97/61/290579761.db2.gz SNPQYHIDNOJMIY-LBPRGKRZSA-N 2 0 278.444 2.597 20 0 CFADRP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000183184666 293164812 /nfs/dbraw/zinc/16/48/12/293164812.db2.gz JHFBTENVUTVEFA-INMHGKMJSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000423191954 293261521 /nfs/dbraw/zinc/26/15/21/293261521.db2.gz UHGLYDHCIKXIQZ-NILFDRSVSA-N 2 0 265.376 2.780 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549156 295109099 /nfs/dbraw/zinc/10/90/99/295109099.db2.gz HLCGOHBXNNYPAO-AWEZNQCLSA-N 2 0 274.408 2.964 20 0 CFADRP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442927977 295205262 /nfs/dbraw/zinc/20/52/62/295205262.db2.gz OWXSNXOUWWEEJC-GJZGRUSLSA-N 2 0 276.424 2.860 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCCC2(F)F)CC1 ZINC000423143917 295224000 /nfs/dbraw/zinc/22/40/00/295224000.db2.gz FOCJCNWQVDZYEB-OTTFEQOBSA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC000423524011 295232019 /nfs/dbraw/zinc/23/20/19/295232019.db2.gz WTCSSIUBOZWQRT-GOSISDBHSA-N 2 0 287.451 2.683 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000357070266 295235060 /nfs/dbraw/zinc/23/50/60/295235060.db2.gz ANLOTTPZKHDYDT-INIZCTEOSA-N 2 0 262.397 2.579 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000160092328 295238769 /nfs/dbraw/zinc/23/87/69/295238769.db2.gz XTYWLSFMMDFSKD-NOLJZWGESA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000423218167 295245092 /nfs/dbraw/zinc/24/50/92/295245092.db2.gz VFWYXJHOFJPBTM-RHSMWYFYSA-N 2 0 276.424 2.982 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423268529 295248955 /nfs/dbraw/zinc/24/89/55/295248955.db2.gz DXHMEZHLOYLZJA-SIRPWMCASA-N 2 0 280.456 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897100 295250932 /nfs/dbraw/zinc/25/09/32/295250932.db2.gz IZJGXJPWXQBXEK-XJKSGUPXSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334997487 295251578 /nfs/dbraw/zinc/25/15/78/295251578.db2.gz DBXWNXGNKAUPBG-BLLLJJGKSA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422982831 295267405 /nfs/dbraw/zinc/26/74/05/295267405.db2.gz RPDIBQMRFUUYGE-SJORKVTESA-N 2 0 258.409 2.509 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423541081 295296430 /nfs/dbraw/zinc/29/64/30/295296430.db2.gz FDHSMMDKGRXMLR-MCIONIFRSA-N 2 0 268.470 2.769 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414689218 295359099 /nfs/dbraw/zinc/35/90/99/295359099.db2.gz FOJMCYXECFUIID-LSDHHAIUSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H](C)[NH3+])sc1Br ZINC000414822665 533694019 /nfs/dbraw/zinc/69/40/19/533694019.db2.gz NLEGJEIKYWKPLG-MRVPVSSYSA-N 2 0 277.231 2.646 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000422705278 298390894 /nfs/dbraw/zinc/39/08/94/298390894.db2.gz BQNJFJPELFRZPB-KFWWJZLASA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000422991187 298393058 /nfs/dbraw/zinc/39/30/58/298393058.db2.gz OPKZBOMACUAAKF-HYVNUMGLSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000049553907 298415473 /nfs/dbraw/zinc/41/54/73/298415473.db2.gz KTOUYAZNZBLWDJ-WFWUXJIDSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000261554344 300325678 /nfs/dbraw/zinc/32/56/78/300325678.db2.gz ATWCGEKLKIOOKM-WNYYMSAVSA-N 2 0 264.335 2.695 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414900219 528179734 /nfs/dbraw/zinc/17/97/34/528179734.db2.gz VTXWQSXDZGPMMB-JTQLQIEISA-N 2 0 256.777 2.566 20 0 CFADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCC[NH3+])CCCO2 ZINC000423197588 301284698 /nfs/dbraw/zinc/28/46/98/301284698.db2.gz ZYJGCSQUURGOFB-CYBMUJFWSA-N 2 0 268.788 2.801 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415088443 302106956 /nfs/dbraw/zinc/10/69/56/302106956.db2.gz XMFAHBPEGVDXCM-UHFFFAOYSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1c[nH+]ccc1N1CCC(CCC[NH+](C)C)CC1 ZINC000192734476 302386665 /nfs/dbraw/zinc/38/66/65/302386665.db2.gz XFDGDZOZFAHJKX-UHFFFAOYSA-N 2 0 261.413 2.948 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422877987 533695589 /nfs/dbraw/zinc/69/55/89/533695589.db2.gz JIKURXDWWFCYRY-NXEZZACHSA-N 2 0 290.329 2.929 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337540675 303123288 /nfs/dbraw/zinc/12/32/88/303123288.db2.gz IFOQPOORDVFZID-ZOBORPQBSA-N 2 0 288.382 2.753 20 0 CFADRP FC1(F)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000334185815 303125476 /nfs/dbraw/zinc/12/54/76/303125476.db2.gz CEQFDIDBGXRMOG-STQMWFEESA-N 2 0 258.356 2.781 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCCO2 ZINC000423537469 303133073 /nfs/dbraw/zinc/13/30/73/303133073.db2.gz KAPQCBVZJCZDAV-INIZCTEOSA-N 2 0 290.382 2.939 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000423488503 303411245 /nfs/dbraw/zinc/41/12/45/303411245.db2.gz DSKWDQLJLWFTCT-IPYPFGDCSA-N 2 0 260.381 2.617 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000164620701 322383399 /nfs/dbraw/zinc/38/33/99/322383399.db2.gz RXOPQYWUWDCLQS-MSOLQXFVSA-N 3 0 295.515 2.963 20 0 CFADRP COC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C(C)C ZINC000164640893 322383429 /nfs/dbraw/zinc/38/34/29/322383429.db2.gz MQOFKLPGSQXVCU-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000166201504 322386489 /nfs/dbraw/zinc/38/64/89/322386489.db2.gz CALCPQCVYPZAPW-ZWKOTPCHSA-N 2 0 272.436 2.938 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168317442 322389270 /nfs/dbraw/zinc/38/92/70/322389270.db2.gz FIMGEQAWSNSXHF-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccnc1 ZINC000171127197 322400505 /nfs/dbraw/zinc/40/05/05/322400505.db2.gz JHVITONZUSWJAY-CQSZACIVSA-N 2 0 269.392 2.994 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000569472233 322475846 /nfs/dbraw/zinc/47/58/46/322475846.db2.gz PWDXJTLIHUULJX-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000569491012 322477166 /nfs/dbraw/zinc/47/71/66/322477166.db2.gz LCNKSOADBALYHY-UHFFFAOYSA-N 2 0 293.411 2.996 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)C1 ZINC000569744831 322494135 /nfs/dbraw/zinc/49/41/35/322494135.db2.gz QAKPXYFLYSTIDQ-QLFBSQMISA-N 2 0 293.842 2.778 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000569802179 322497077 /nfs/dbraw/zinc/49/70/77/322497077.db2.gz FPCARDPFKLSHGG-CQSZACIVSA-N 2 0 292.423 2.887 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])s1 ZINC000570832297 322554443 /nfs/dbraw/zinc/55/44/43/322554443.db2.gz FNRMFKJUUIIKDN-QWRGUYRKSA-N 2 0 255.431 2.557 20 0 CFADRP Fc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1F ZINC000570908945 322558269 /nfs/dbraw/zinc/55/82/69/322558269.db2.gz SIEIDLJDOHUGRR-GFCCVEGCSA-N 2 0 254.324 2.587 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000572593328 322624444 /nfs/dbraw/zinc/62/44/44/322624444.db2.gz HSHZRJCPRXKZHA-HNNXBMFYSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000573020181 322641367 /nfs/dbraw/zinc/64/13/67/322641367.db2.gz BXUSEQZZWGHUPT-XBRDJLCQSA-N 2 0 274.408 2.799 20 0 CFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000573137181 322645880 /nfs/dbraw/zinc/64/58/80/322645880.db2.gz GIFRFXLDGRCTIZ-DPAVQSFQSA-N 2 0 292.423 2.631 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000573437210 322656033 /nfs/dbraw/zinc/65/60/33/322656033.db2.gz VVLLZEKADVJLPZ-DGCLKSJQSA-N 2 0 279.453 2.643 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000574442088 322692928 /nfs/dbraw/zinc/69/29/28/322692928.db2.gz UIOVEQSBVFRQKI-WTTBNOFXSA-N 2 0 273.424 2.825 20 0 CFADRP COC[C@H](C)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000187769431 324001591 /nfs/dbraw/zinc/00/15/91/324001591.db2.gz INLSPTOBJYZILN-CQSZACIVSA-N 2 0 296.480 2.832 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000191791948 324053934 /nfs/dbraw/zinc/05/39/34/324053934.db2.gz YMNIVDGNONQXQH-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+](C)C ZINC000194831698 324095664 /nfs/dbraw/zinc/09/56/64/324095664.db2.gz VLFWJSSWIVYTPT-HNNXBMFYSA-N 2 0 262.397 2.614 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000345186656 324134342 /nfs/dbraw/zinc/13/43/42/324134342.db2.gz DIMAFSIKKOERAP-BRWVUGGUSA-N 2 0 292.471 2.619 20 0 CFADRP CC(C)C[C@H]([NH3+])CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000576702880 324648908 /nfs/dbraw/zinc/64/89/08/324648908.db2.gz AYRZUEDTLGAKOC-ZWKOTPCHSA-N 2 0 289.467 2.614 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C1 ZINC000576718097 324652134 /nfs/dbraw/zinc/65/21/34/324652134.db2.gz QWTOOHLJMSHWNN-KGLIPLIRSA-N 2 0 275.371 2.709 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCC(C)(C)CC1)CN1CC[NH+](C)CC1 ZINC000577005769 324685645 /nfs/dbraw/zinc/68/56/45/324685645.db2.gz FDVJSFCPUHJJDC-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP COCCC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000577214462 324710372 /nfs/dbraw/zinc/71/03/72/324710372.db2.gz VNRZDFOYWBPHAT-QGZVFWFLSA-N 2 0 294.414 2.883 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626731 324760503 /nfs/dbraw/zinc/76/05/03/324760503.db2.gz QIXTZRCRGBAQSL-QZTJIDSGSA-N 3 0 287.451 2.642 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578668753 324877683 /nfs/dbraw/zinc/87/76/83/324877683.db2.gz OHNNNGUBPNARPC-CABCVRRESA-N 2 0 264.438 2.909 20 0 CFADRP Fc1cc(F)c2c(c1)OCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000578738409 324882824 /nfs/dbraw/zinc/88/28/24/324882824.db2.gz RCWLVPIIKJASQB-CQSZACIVSA-N 2 0 296.361 2.768 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000578857704 324896360 /nfs/dbraw/zinc/89/63/60/324896360.db2.gz RPQZGFHUOFWYAI-HOCLYGCPSA-N 2 0 286.423 2.617 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000579699557 324972008 /nfs/dbraw/zinc/97/20/08/324972008.db2.gz SYBKVORDXCQCGR-INIZCTEOSA-N 2 0 262.397 2.662 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2c[nH]c3ccccc23)C1 ZINC000580094954 325007319 /nfs/dbraw/zinc/00/73/19/325007319.db2.gz CJCRYHWDIGJQHR-LSDHHAIUSA-N 2 0 271.408 2.960 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000581200978 325100495 /nfs/dbraw/zinc/10/04/95/325100495.db2.gz WKEWRAAIQNOVDV-ZIAGYGMSSA-N 2 0 250.361 2.536 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000581713846 325145005 /nfs/dbraw/zinc/14/50/05/325145005.db2.gz QUPVSIWFWKNRID-OAHLLOKOSA-N 2 0 262.397 2.565 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000582660480 325223342 /nfs/dbraw/zinc/22/33/42/325223342.db2.gz YOCJYEUNOSNWBH-BFWZDYSYSA-N 2 0 288.435 2.841 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000582735698 325230647 /nfs/dbraw/zinc/23/06/47/325230647.db2.gz KTNBOQUURMBILY-RTXFEEFZSA-N 2 0 284.350 2.592 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000582857006 325240750 /nfs/dbraw/zinc/24/07/50/325240750.db2.gz WMUIUZJSVFORAF-KURKYZTESA-N 2 0 290.451 2.884 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000582915920 325245527 /nfs/dbraw/zinc/24/55/27/325245527.db2.gz JCXUEUGPFDQCJV-NALMEZQBSA-N 3 0 293.499 2.889 20 0 CFADRP c1ccc(CCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000583024769 325253394 /nfs/dbraw/zinc/25/33/94/325253394.db2.gz LDDPVUVCKSHCNZ-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP c1ccc(CCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000583024770 325253663 /nfs/dbraw/zinc/25/36/63/325253663.db2.gz LDDPVUVCKSHCNZ-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000583090813 325259282 /nfs/dbraw/zinc/25/92/82/325259282.db2.gz OJHUNZRRJNLBMN-HOTGVXAUSA-N 2 0 250.430 2.885 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C(C)C)CC2 ZINC000583138228 325262827 /nfs/dbraw/zinc/26/28/27/325262827.db2.gz HOHKDOJLMUOMEN-MRXNPFEDSA-N 2 0 262.397 2.660 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000583392128 325284416 /nfs/dbraw/zinc/28/44/16/325284416.db2.gz VKTJWOGNYKIUQX-HNKHHVNMSA-N 2 0 262.372 2.931 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3ccccc3)CCOCC2)CC[NH2+]1 ZINC000583740563 325307315 /nfs/dbraw/zinc/30/73/15/325307315.db2.gz YVLDUNIJMKXGSU-HZPDHXFCSA-N 2 0 288.435 2.670 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000583875727 325316445 /nfs/dbraw/zinc/31/64/45/325316445.db2.gz RLHJOSXIVJIGOO-UHFFFAOYSA-N 2 0 298.333 2.569 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC(C)(C)C1 ZINC000583928886 325319452 /nfs/dbraw/zinc/31/94/52/325319452.db2.gz WUKWEVYRVGSXBO-XJKSGUPXSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC(C)(C)C1 ZINC000583928885 325319487 /nfs/dbraw/zinc/31/94/87/325319487.db2.gz WUKWEVYRVGSXBO-CZUORRHYSA-N 2 0 260.425 2.971 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584100649 325330714 /nfs/dbraw/zinc/33/07/14/325330714.db2.gz DXIXAQULNCMXOG-CHWSQXEVSA-N 2 0 284.350 2.956 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000584285651 325343624 /nfs/dbraw/zinc/34/36/24/325343624.db2.gz YDVUEVJZGBIMND-RDJZCZTQSA-N 2 0 276.424 2.733 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532124843 500777756 /nfs/dbraw/zinc/77/77/56/500777756.db2.gz IHZXQXKQPWTGOR-MSOLQXFVSA-N 2 0 293.499 2.811 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)COC(C)C)CC1 ZINC000337322944 521548581 /nfs/dbraw/zinc/54/85/81/521548581.db2.gz AEKNRHVTYRAJNQ-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1F ZINC000414849045 533732581 /nfs/dbraw/zinc/73/25/81/533732581.db2.gz HCBHBQLFUDOXMR-OCCSQVGLSA-N 2 0 250.361 2.612 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]([NH3+])C(C)C)cc1F ZINC000414786396 533750428 /nfs/dbraw/zinc/75/04/28/533750428.db2.gz BAJRXZUHDIUHMB-DOMZBBRYSA-N 2 0 282.403 2.586 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423188791 533754435 /nfs/dbraw/zinc/75/44/35/533754435.db2.gz QJSVJEMXTSKPON-DSPQJCBJSA-N 2 0 262.397 2.514 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423185667 533751840 /nfs/dbraw/zinc/75/18/40/533751840.db2.gz NZYKWHJHYHLHIJ-ZOWQXGHRSA-N 2 0 286.419 2.671 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000414346435 533756461 /nfs/dbraw/zinc/75/64/61/533756461.db2.gz VFCWVSXUGVXPMQ-MBGYTDRXSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)C1 ZINC000423347023 533761319 /nfs/dbraw/zinc/76/13/19/533761319.db2.gz PXLWTIMKZCGDCH-CRAIPNDOSA-N 3 0 291.483 2.539 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)CCCC[NH3+])ccc1C ZINC000422776758 533769009 /nfs/dbraw/zinc/76/90/09/533769009.db2.gz DVPTXVNGGKIEMI-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414875993 533772234 /nfs/dbraw/zinc/77/22/34/533772234.db2.gz KQCBUMNCRIMZEQ-UWVGGRQHSA-N 2 0 260.834 2.907 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423304468 533773333 /nfs/dbraw/zinc/77/33/33/533773333.db2.gz YXNXHGLLPAIEMN-JOYOIKCWSA-N 2 0 254.374 2.547 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422562944 533784666 /nfs/dbraw/zinc/78/46/66/533784666.db2.gz RCRTYAVVEUIFCR-DLTWYDFYSA-N 2 0 282.472 2.744 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000415042017 533788352 /nfs/dbraw/zinc/78/83/52/533788352.db2.gz QKCVCHSONMZNEP-AEGPPILISA-N 2 0 294.414 2.730 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)nc1 ZINC000423161053 533806166 /nfs/dbraw/zinc/80/61/66/533806166.db2.gz ILQOIPZQLBHUTP-NVXWUHKLSA-N 2 0 275.440 2.833 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)nc1 ZINC000423168892 533808918 /nfs/dbraw/zinc/80/89/18/533808918.db2.gz VGXXERVFJYPBLX-SJORKVTESA-N 2 0 267.376 2.667 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537908 533831801 /nfs/dbraw/zinc/83/18/01/533831801.db2.gz DVNJSNQSKLAYJC-TWHJKIGZSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2nc3c(s2)CCCC3)CC[NH2+]1 ZINC000414690289 533838794 /nfs/dbraw/zinc/83/87/94/533838794.db2.gz HNZKBYHVJCUQAL-CHWSQXEVSA-N 2 0 293.480 2.842 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422707115 533845183 /nfs/dbraw/zinc/84/51/83/533845183.db2.gz VSCFYMJKVBSDSO-CYBMUJFWSA-N 2 0 274.412 2.603 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423157316 533847920 /nfs/dbraw/zinc/84/79/20/533847920.db2.gz MNKGQRATGOBRGB-SNVBAGLBSA-N 2 0 275.318 2.708 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000415019075 533846236 /nfs/dbraw/zinc/84/62/36/533846236.db2.gz VOFWEFJVMAHOMT-LLVKDONJSA-N 2 0 278.425 2.745 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000422886996 533847001 /nfs/dbraw/zinc/84/70/01/533847001.db2.gz AKYWSAABEVEHQO-GDBMZVCRSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422760544 533853144 /nfs/dbraw/zinc/85/31/44/533853144.db2.gz LZMGEEZVOFKVAJ-ZBFHGGJFSA-N 2 0 293.430 2.902 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422814633 533849677 /nfs/dbraw/zinc/84/96/77/533849677.db2.gz VRINKYKMPUOLNK-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000423094071 533855909 /nfs/dbraw/zinc/85/59/09/533855909.db2.gz JFRTYFBUUQTTLJ-NAQJRUONSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423261415 533866581 /nfs/dbraw/zinc/86/65/81/533866581.db2.gz SGGNELSQYVYTEG-UONOGXRCSA-N 2 0 293.430 2.932 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423121472 533871648 /nfs/dbraw/zinc/87/16/48/533871648.db2.gz IKXYEUSAGHEPIQ-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000422805952 533872987 /nfs/dbraw/zinc/87/29/87/533872987.db2.gz MULFSVLJSYVHPN-NVXWUHKLSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000422824183 533873675 /nfs/dbraw/zinc/87/36/75/533873675.db2.gz GIXYZQDOJIKNPF-OCCSQVGLSA-N 2 0 275.421 2.950 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000423196324 533873992 /nfs/dbraw/zinc/87/39/92/533873992.db2.gz ZJLNMJMKJWQOFN-CHWSQXEVSA-N 2 0 291.414 2.965 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000414840809 533869867 /nfs/dbraw/zinc/86/98/67/533869867.db2.gz NMKWHQVIRUXPJR-HOCLYGCPSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422896673 533869978 /nfs/dbraw/zinc/86/99/78/533869978.db2.gz YOKNJZMBFHIOQE-OAHLLOKOSA-N 2 0 290.455 2.535 20 0 CFADRP CSCc1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000421369809 533870394 /nfs/dbraw/zinc/87/03/94/533870394.db2.gz HVODQTJSPCQMEY-UHFFFAOYSA-N 2 0 299.509 2.969 20 0 CFADRP C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422891153 533879321 /nfs/dbraw/zinc/87/93/21/533879321.db2.gz KDOXYWKIWAARCF-XIRDDKMYSA-N 2 0 281.488 2.617 20 0 CFADRP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414702885 533875146 /nfs/dbraw/zinc/87/51/46/533875146.db2.gz VLCGBQTXKAPXCA-WCQYABFASA-N 2 0 252.427 2.876 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414839564 533884183 /nfs/dbraw/zinc/88/41/83/533884183.db2.gz XUVIOYHQNMKIHY-HNNXBMFYSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000422768529 533883334 /nfs/dbraw/zinc/88/33/34/533883334.db2.gz UQZHGBJAUCOLRJ-JONQDZQNSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423140537 533887118 /nfs/dbraw/zinc/88/71/18/533887118.db2.gz YXBAHENKOUIADV-QSPRXWTASA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414877943 533900849 /nfs/dbraw/zinc/90/08/49/533900849.db2.gz GPUGLROYILDKIK-SNVBAGLBSA-N 2 0 263.772 2.715 20 0 CFADRP C[C@H](CC[NH3+])[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414888631 533902762 /nfs/dbraw/zinc/90/27/62/533902762.db2.gz FJIYEJOMTKTDNK-MNOVXSKESA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414897904 533899153 /nfs/dbraw/zinc/89/91/53/533899153.db2.gz SHUJLQRFOFHCJU-SSDOTTSWSA-N 2 0 252.305 2.594 20 0 CFADRP COc1ccccc1/C=C/C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414775083 533950610 /nfs/dbraw/zinc/95/06/10/533950610.db2.gz ZGDFKHLZUZILHY-INDMPGQXSA-N 2 0 286.419 2.640 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000425339758 533989800 /nfs/dbraw/zinc/98/98/00/533989800.db2.gz CYNBQYQGVDZUFD-LSDHHAIUSA-N 2 0 264.438 2.732 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000422732123 533992910 /nfs/dbraw/zinc/99/29/10/533992910.db2.gz OWVGCXIUQAGDEU-QWRGUYRKSA-N 2 0 284.375 2.621 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422843402 533999096 /nfs/dbraw/zinc/99/90/96/533999096.db2.gz IDJBJEWWLXRLAL-GOEBONIOSA-N 2 0 288.435 2.834 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000425365237 534001161 /nfs/dbraw/zinc/00/11/61/534001161.db2.gz YAHBLTQDJLDJBO-BFHYXJOUSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414748457 534003279 /nfs/dbraw/zinc/00/32/79/534003279.db2.gz WOVPQWMKANMYAS-JYYAWHABSA-N 2 0 273.424 2.853 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423166201 534016994 /nfs/dbraw/zinc/01/69/94/534016994.db2.gz QWRXSGREAQIVOJ-IGCXYCKISA-N 2 0 294.414 2.743 20 0 CFADRP C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414710204 534038169 /nfs/dbraw/zinc/03/81/69/534038169.db2.gz PSBIFKYHXPDMQA-BASYENTBSA-N 2 0 288.435 2.699 20 0 CFADRP COc1ccccc1CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422769569 534047611 /nfs/dbraw/zinc/04/76/11/534047611.db2.gz VHMVZHIUGGOYHB-CYBMUJFWSA-N 2 0 299.418 2.751 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414876926 534048465 /nfs/dbraw/zinc/04/84/65/534048465.db2.gz LZAPBGYQURBTMZ-GHMZBOCLSA-N 2 0 285.229 2.737 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)COCc1ccccc1 ZINC000422757205 534055219 /nfs/dbraw/zinc/05/52/19/534055219.db2.gz IHYBDLATVGXFTO-HJOIGYKYSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@@H](C[NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000414904832 534059195 /nfs/dbraw/zinc/05/91/95/534059195.db2.gz MCKCTMVHPRQUBC-SWLSCSKDSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000422842516 534066690 /nfs/dbraw/zinc/06/66/90/534066690.db2.gz YOAPSSHPGVVRFM-AEFFLSMTSA-N 2 0 290.451 2.961 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccc(F)cc1 ZINC000427123825 534069754 /nfs/dbraw/zinc/06/97/54/534069754.db2.gz ZQYWBIHCRXBUTK-XPKDYRNWSA-N 2 0 262.372 2.613 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422839000 534070835 /nfs/dbraw/zinc/07/08/35/534070835.db2.gz PKXICYLUIBLJMR-MLGOLLRUSA-N 2 0 289.398 2.827 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422781685 534071848 /nfs/dbraw/zinc/07/18/48/534071848.db2.gz MHWPEEQYPRLDHI-CZUORRHYSA-N 2 0 280.387 2.572 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422868415 534077620 /nfs/dbraw/zinc/07/76/20/534077620.db2.gz VBKVREZNVMTHON-KGLIPLIRSA-N 2 0 276.424 2.999 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779826 534077692 /nfs/dbraw/zinc/07/76/92/534077692.db2.gz KPFCWQBMOUFQHK-GJZGRUSLSA-N 2 0 274.408 2.517 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422762238 534078301 /nfs/dbraw/zinc/07/83/01/534078301.db2.gz MJRIBYGMXNMEQU-DJIMGWMZSA-N 2 0 287.451 2.545 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779825 534078771 /nfs/dbraw/zinc/07/87/71/534078771.db2.gz KPFCWQBMOUFQHK-CABCVRRESA-N 2 0 274.408 2.517 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422756847 534104963 /nfs/dbraw/zinc/10/49/63/534104963.db2.gz CNVZFXMMVSVYAB-CABCVRRESA-N 2 0 264.438 2.698 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000414918765 534132556 /nfs/dbraw/zinc/13/25/56/534132556.db2.gz SUWJZCOYJWFIKF-BPQIPLTHSA-N 2 0 287.451 2.554 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422870474 534147302 /nfs/dbraw/zinc/14/73/02/534147302.db2.gz BWCOYRBDUFHSBZ-JSGCOSHPSA-N 2 0 264.438 2.934 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422873955 534147377 /nfs/dbraw/zinc/14/73/77/534147377.db2.gz MRECJAWGYKZHFF-VHDGCEQUSA-N 2 0 294.464 2.559 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422877515 534148007 /nfs/dbraw/zinc/14/80/07/534148007.db2.gz RPCUWAZCZIUWHC-NEPJUHHUSA-N 2 0 252.427 2.932 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423035308 534165582 /nfs/dbraw/zinc/16/55/82/534165582.db2.gz YRMVJGGURHPSTO-RHSMWYFYSA-N 2 0 275.440 2.857 20 0 CFADRP C[C@]1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000414904778 534175939 /nfs/dbraw/zinc/17/59/39/534175939.db2.gz KPDALRISGOHBFN-ZENLRNHISA-N 2 0 280.362 2.957 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000414910953 534177019 /nfs/dbraw/zinc/17/70/19/534177019.db2.gz SXXJIDWVFOSNTP-AWEZNQCLSA-N 2 0 252.789 2.819 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423213204 534266909 /nfs/dbraw/zinc/26/69/09/534266909.db2.gz MZVADWSCJITXHQ-KBPBESRZSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423333171 534266978 /nfs/dbraw/zinc/26/69/78/534266978.db2.gz VMNJCFIYURBDLJ-XHDPSFHLSA-N 2 0 258.365 2.691 20 0 CFADRP Brc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000168736064 518219796 /nfs/dbraw/zinc/21/97/96/518219796.db2.gz AGMCQHSLBSHHLA-ZDUSSCGKSA-N 2 0 283.213 2.681 20 0 CFADRP Brc1csc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000084386092 518234862 /nfs/dbraw/zinc/23/48/62/518234862.db2.gz BMPFPXDHCOMIPZ-SECBINFHSA-N 2 0 289.242 2.600 20 0 CFADRP C(CN1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000361267140 518385918 /nfs/dbraw/zinc/38/59/18/518385918.db2.gz QQAJPURFUHUJIP-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC000423146713 534350506 /nfs/dbraw/zinc/35/05/06/534350506.db2.gz QBXVWZXDQBUBOV-GFCCVEGCSA-N 2 0 259.397 3.000 20 0 CFADRP C([C@H]1CCCCO1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157263820 518402284 /nfs/dbraw/zinc/40/22/84/518402284.db2.gz QNBILUIFDHISKT-JKSUJKDBSA-N 2 0 266.429 2.506 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000232611079 519266955 /nfs/dbraw/zinc/26/69/55/519266955.db2.gz FNFJRWRZOPYPJV-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000335043126 519300862 /nfs/dbraw/zinc/30/08/62/519300862.db2.gz NTGWJIXXSNFEBL-ZDUSSCGKSA-N 2 0 297.240 2.633 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414805813 534417013 /nfs/dbraw/zinc/41/70/13/534417013.db2.gz AYJYOWPKKKQPCV-CYBMUJFWSA-N 2 0 255.365 2.700 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000361014921 519418547 /nfs/dbraw/zinc/41/85/47/519418547.db2.gz XXZAPLKLTGQVHJ-IAGOWNOFSA-N 2 0 282.472 2.805 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423118917 534433296 /nfs/dbraw/zinc/43/32/96/534433296.db2.gz CQKQIQLYQWNVTI-XLWJZTARSA-N 2 0 254.393 2.777 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000155812568 519644157 /nfs/dbraw/zinc/64/41/57/519644157.db2.gz UJOMFRDDOGKCFY-HOTGVXAUSA-N 2 0 269.477 2.568 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186737456 519673113 /nfs/dbraw/zinc/67/31/13/519673113.db2.gz PLZQPKYLDLBPHD-MRXNPFEDSA-N 2 0 281.488 2.713 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361322686 519693381 /nfs/dbraw/zinc/69/33/81/519693381.db2.gz YOJBIXNFVXLNSX-NJAFHUGGSA-N 2 0 294.483 2.732 20 0 CFADRP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000414826725 534440535 /nfs/dbraw/zinc/44/05/35/534440535.db2.gz JJYPXBUDUCHLOU-SNVBAGLBSA-N 2 0 290.304 2.934 20 0 CFADRP CC(C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000052380777 519726632 /nfs/dbraw/zinc/72/66/32/519726632.db2.gz KSTUBAQNKRKRHX-GJZGRUSLSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000150936763 519749709 /nfs/dbraw/zinc/74/97/09/519749709.db2.gz JDJKMJVPLWWPOB-CQSZACIVSA-N 2 0 264.413 2.934 20 0 CFADRP CC(C)OCCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000224965614 519761266 /nfs/dbraw/zinc/76/12/66/519761266.db2.gz SZJHTSQLTZTYCG-HOTGVXAUSA-N 2 0 262.397 2.926 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000070347253 519847265 /nfs/dbraw/zinc/84/72/65/519847265.db2.gz YNBCPVFIXIAGBA-HOTGVXAUSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cs1 ZINC000360837547 519861342 /nfs/dbraw/zinc/86/13/42/519861342.db2.gz PYSCCEJOFMVAHU-GXTWGEPZSA-N 2 0 281.469 2.739 20 0 CFADRP c1cc(-c2n[nH]cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)cs1 ZINC000414965125 534467735 /nfs/dbraw/zinc/46/77/35/534467735.db2.gz NBUXYXMVONMWBF-CQSZACIVSA-N 2 0 290.436 2.760 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCCn2cc(C)cn2)C1 ZINC000173902898 520248242 /nfs/dbraw/zinc/24/82/42/520248242.db2.gz IENJNYMTOBUDPB-KRWDZBQOSA-N 2 0 292.471 2.635 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049553578 520373050 /nfs/dbraw/zinc/37/30/50/520373050.db2.gz HEPSKWHGIIVEOM-CQSZACIVSA-N 2 0 264.413 2.905 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)C12CCC2 ZINC000087708788 520424333 /nfs/dbraw/zinc/42/43/33/520424333.db2.gz OPKRKITVTABHTB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc2)nc1 ZINC000423252701 534495047 /nfs/dbraw/zinc/49/50/47/534495047.db2.gz UJASPUYRCODJSO-KBXCAEBGSA-N 2 0 299.393 2.899 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000310502069 520576421 /nfs/dbraw/zinc/57/64/21/520576421.db2.gz MRCFLPBYOXYEMM-TZMCWYRMSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340717573 520588917 /nfs/dbraw/zinc/58/89/17/520588917.db2.gz ZRKOKTFKLBXIKQ-SFHVURJKSA-N 3 0 295.515 2.820 20 0 CFADRP CC[NH+](CC)CCCN(C1CC1)C1CC[NH+](CC)CC1 ZINC000365192640 520594695 /nfs/dbraw/zinc/59/46/95/520594695.db2.gz ROXVHRVSIPDRII-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000213607830 520632009 /nfs/dbraw/zinc/63/20/09/520632009.db2.gz JRZVBXRPDRKVNR-CQSZACIVSA-N 2 0 293.455 2.999 20 0 CFADRP CCC[C@@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000337240003 520648385 /nfs/dbraw/zinc/64/83/85/520648385.db2.gz DWRRMHGPQFKVQG-OAHLLOKOSA-N 2 0 270.461 2.998 20 0 CFADRP c1cncc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423246811 534509177 /nfs/dbraw/zinc/50/91/77/534509177.db2.gz KGTJYANJPRVATK-BBRMVZONSA-N 2 0 259.397 2.512 20 0 CFADRP c1cncc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000420365925 534509561 /nfs/dbraw/zinc/50/95/61/534509561.db2.gz TUQZLBPBOSKMLR-INIZCTEOSA-N 2 0 259.397 2.608 20 0 CFADRP CCC[C@@H](CC)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353623112 520687633 /nfs/dbraw/zinc/68/76/33/520687633.db2.gz AHLALDFNUDSGRM-CYBMUJFWSA-N 2 0 258.475 2.982 20 0 CFADRP Fc1ccc2oc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2c1 ZINC000414833147 534512169 /nfs/dbraw/zinc/51/21/69/534512169.db2.gz PGYKIJYUAYNMSA-LLVKDONJSA-N 2 0 262.328 2.661 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC(OC)C2)cc1 ZINC000220829292 520749397 /nfs/dbraw/zinc/74/93/97/520749397.db2.gz OXFSTXMSRFPAKO-UHFFFAOYSA-N 2 0 276.424 2.795 20 0 CFADRP CCCC[C@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000069371392 521180506 /nfs/dbraw/zinc/18/05/06/521180506.db2.gz SEGXOCSGXZNWPA-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1occc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000414384463 534569264 /nfs/dbraw/zinc/56/92/64/534569264.db2.gz TWUBKJLQSHLEEW-UHFFFAOYSA-N 2 0 250.386 2.752 20 0 CFADRP Cc1occc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000414315125 534578109 /nfs/dbraw/zinc/57/81/09/534578109.db2.gz RLFVDDQHVOLECQ-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP CCC[N@H+](CCOc1ccccc1OC)C1CC[NH2+]CC1 ZINC000088413666 521669703 /nfs/dbraw/zinc/66/97/03/521669703.db2.gz FUNNBFKYCKSNOT-UHFFFAOYSA-N 2 0 292.423 2.538 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000155690433 521691691 /nfs/dbraw/zinc/69/16/91/521691691.db2.gz UJHJTHRDVOPXDS-DLBZAZTESA-N 2 0 289.467 2.672 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000155557716 521694367 /nfs/dbraw/zinc/69/43/67/521694367.db2.gz QHJAASVHLLKGKN-UKRRQHHQSA-N 2 0 295.496 2.733 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000155690324 521695027 /nfs/dbraw/zinc/69/50/27/521695027.db2.gz UJHJTHRDVOPXDS-SJORKVTESA-N 2 0 289.467 2.672 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCC2)C[C@@H]1C ZINC000361563511 521713412 /nfs/dbraw/zinc/71/34/12/521713412.db2.gz GJUGQXFSNFUXIQ-LSDHHAIUSA-N 2 0 268.445 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(C)c2)C1 ZINC000050545523 521717475 /nfs/dbraw/zinc/71/74/75/521717475.db2.gz MHELJVMYQKACQK-CQSZACIVSA-N 2 0 250.361 2.566 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccncc2)[C@@H](C)C1 ZINC000360472592 521719157 /nfs/dbraw/zinc/71/91/57/521719157.db2.gz GZDOFNYBTXSQTG-RDJZCZTQSA-N 2 0 275.440 2.676 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccncc2)C[C@H]1C ZINC000360456612 521719775 /nfs/dbraw/zinc/71/97/75/521719775.db2.gz SDZIYMZMWDWVLE-WBVHZDCISA-N 2 0 275.440 2.819 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ncccc3C)CC2)[C@H](C)C1 ZINC000366018169 521720904 /nfs/dbraw/zinc/72/09/04/521720904.db2.gz SFMYURXXUUYQGP-CVEARBPZSA-N 2 0 287.451 2.742 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000226744887 521796098 /nfs/dbraw/zinc/79/60/98/521796098.db2.gz HGNPLHKJBJXIBH-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000422935352 534594254 /nfs/dbraw/zinc/59/42/54/534594254.db2.gz ADWUIZKTUQVCHK-UHFFFAOYSA-N 2 0 262.372 2.922 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2(c3cccc(F)c3)CC2)CC1 ZINC000422767954 534594651 /nfs/dbraw/zinc/59/46/51/534594651.db2.gz NJUQBKFHSHKAHF-UHFFFAOYSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414901642 534605690 /nfs/dbraw/zinc/60/56/90/534605690.db2.gz IWVMDQZNJYAYSG-UHFFFAOYSA-N 2 0 262.397 2.837 20 0 CFADRP [NH3+]CCC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000414702748 534608389 /nfs/dbraw/zinc/60/83/89/534608389.db2.gz LVKUSEIJIODAPH-UHFFFAOYSA-N 2 0 266.816 2.943 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423196482 534615698 /nfs/dbraw/zinc/61/56/98/534615698.db2.gz VLQQUYBJQBSLKM-OCCSQVGLSA-N 2 0 252.789 2.915 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423195468 534616018 /nfs/dbraw/zinc/61/60/18/534616018.db2.gz SPUDBEGKGFGDOG-INIZCTEOSA-N 2 0 289.810 2.957 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000423175070 534616032 /nfs/dbraw/zinc/61/60/32/534616032.db2.gz CTWNZCUVNJDNLE-LLVKDONJSA-N 2 0 256.802 2.815 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423196765 534616140 /nfs/dbraw/zinc/61/61/40/534616140.db2.gz WEGRSWNIPVMCOT-GFCCVEGCSA-N 2 0 274.286 2.511 20 0 CFADRP COC[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309780836 522249795 /nfs/dbraw/zinc/24/97/95/522249795.db2.gz DZLQNTXRUVOWTA-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423318958 534640120 /nfs/dbraw/zinc/64/01/20/534640120.db2.gz LFZAQZARDNDYBL-GOEBONIOSA-N 2 0 278.827 2.860 20 0 CFADRP COC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000361508734 522601275 /nfs/dbraw/zinc/60/12/75/522601275.db2.gz PENGQVMYZACPIB-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP COC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000361509530 522602762 /nfs/dbraw/zinc/60/27/62/522602762.db2.gz VOAXDYUNQAADKE-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000157942462 522737589 /nfs/dbraw/zinc/73/75/89/522737589.db2.gz ODHITVKDUJBYPW-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCOC1 ZINC000361528776 522744218 /nfs/dbraw/zinc/74/42/18/522744218.db2.gz WKYJXJSBAZEATQ-QLFBSQMISA-N 2 0 270.461 2.758 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@@H]1CCOC1 ZINC000155836342 522826991 /nfs/dbraw/zinc/82/69/91/522826991.db2.gz ZGXVANWIKLPPKT-HZPDHXFCSA-N 2 0 270.461 2.900 20 0 CFADRP COCCC(C)(C)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000230896363 522985278 /nfs/dbraw/zinc/98/52/78/522985278.db2.gz OLPBYTPZDSXMAE-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422939682 534680763 /nfs/dbraw/zinc/68/07/63/534680763.db2.gz ICTFBGDAZFUFQL-GJZGRUSLSA-N 2 0 262.397 2.542 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423101197 534689328 /nfs/dbraw/zinc/68/93/28/534689328.db2.gz IGOIWOBXPGJRKF-JKSUJKDBSA-N 2 0 261.413 2.572 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422783863 534711727 /nfs/dbraw/zinc/71/17/27/534711727.db2.gz OWWMVXBJPCRUMT-KURKYZTESA-N 2 0 287.451 2.511 20 0 CFADRP CN1CCC([NH+]2CCC(CC[NH2+]C3CCCC3)CC2)CC1 ZINC000363664456 523766368 /nfs/dbraw/zinc/76/63/68/523766368.db2.gz YHSFDWLZDHILTG-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP CCc1cc(OC)ccc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000262020293 523834525 /nfs/dbraw/zinc/83/45/25/523834525.db2.gz WBVHKNLPAYRQHZ-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000084610509 523923632 /nfs/dbraw/zinc/92/36/32/523923632.db2.gz LECSSKSCAORAGQ-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCCSCc3ccccc3)C[C@@H]2C1 ZINC000193606868 524016594 /nfs/dbraw/zinc/01/65/94/524016594.db2.gz SROGTYCEIJBRLX-CALCHBBNSA-N 2 0 290.476 2.803 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCCC1 ZINC000364920743 524048062 /nfs/dbraw/zinc/04/80/62/524048062.db2.gz RSWJCNKYHOYFLK-ARFHVFGLSA-N 2 0 292.467 2.656 20 0 CFADRP CCc1cccc(F)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000339408223 524069950 /nfs/dbraw/zinc/06/99/50/524069950.db2.gz WGHGIIQJNDDEKL-UHFFFAOYSA-N 2 0 294.414 2.718 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000334867526 524100488 /nfs/dbraw/zinc/10/04/88/524100488.db2.gz ZXKRICQKZAYTAB-MSOLQXFVSA-N 2 0 288.435 2.632 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000310323072 524138878 /nfs/dbraw/zinc/13/88/78/524138878.db2.gz ZJOIZKOFRKIVIC-YPMHNXCESA-N 2 0 250.411 2.941 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000049553169 524153912 /nfs/dbraw/zinc/15/39/12/524153912.db2.gz XDJHJANTMVULRH-STQMWFEESA-N 2 0 250.386 2.686 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000049553215 524168070 /nfs/dbraw/zinc/16/80/70/524168070.db2.gz XWWPZYKRZNSFAR-UONOGXRCSA-N 2 0 292.423 2.666 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000314392308 524172537 /nfs/dbraw/zinc/17/25/37/524172537.db2.gz SGNXGBWQRRJKHS-BBWFWOEESA-N 2 0 288.435 2.741 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228202629 524173325 /nfs/dbraw/zinc/17/33/25/524173325.db2.gz PZTDVQNMRHXIHE-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163825794 524176647 /nfs/dbraw/zinc/17/66/47/524176647.db2.gz XLUFATSAMJLGBE-GDBMZVCRSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335017529 524312653 /nfs/dbraw/zinc/31/26/53/524312653.db2.gz YTAWTNVIZLVKFZ-BBRMVZONSA-N 2 0 273.424 2.522 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158516640 524402785 /nfs/dbraw/zinc/40/27/85/524402785.db2.gz RDAGQHJBXXQLEV-IAGOWNOFSA-N 2 0 258.409 2.911 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C ZINC000334864449 524441422 /nfs/dbraw/zinc/44/14/22/524441422.db2.gz FJTNZKOMSPCQAP-MSOLQXFVSA-N 2 0 288.435 2.632 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310032158 524455190 /nfs/dbraw/zinc/45/51/90/524455190.db2.gz YEEPHJHQLHWCHU-WMZOPIPTSA-N 3 0 289.467 2.616 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccc(F)cc1 ZINC000361721540 524498692 /nfs/dbraw/zinc/49/86/92/524498692.db2.gz SKGFSOYVCMCVLC-WOSRLPQWSA-N 2 0 280.387 2.523 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000088204425 524500394 /nfs/dbraw/zinc/50/03/94/524500394.db2.gz QARFPWCRCKKUEB-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1cccc(O)c1)C[NH+]1CCCC1 ZINC000062077506 524500884 /nfs/dbraw/zinc/50/08/84/524500884.db2.gz WWVGFAFGRLEWLJ-ZIAGYGMSSA-N 2 0 262.397 2.775 20 0 CFADRP C[C@@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163888489 524506256 /nfs/dbraw/zinc/50/62/56/524506256.db2.gz MPQUZRRTHGCZHE-OLZOCXBDSA-N 2 0 282.815 2.636 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000360944028 524562676 /nfs/dbraw/zinc/56/26/76/524562676.db2.gz YCVCGBWNFWODAY-BLLLJJGKSA-N 2 0 289.398 2.779 20 0 CFADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1F ZINC000067121512 524575275 /nfs/dbraw/zinc/57/52/75/524575275.db2.gz CRYYVSBLFDNHMQ-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340672490 524726811 /nfs/dbraw/zinc/72/68/11/524726811.db2.gz ANXMRDYDIGUPSM-MRXNPFEDSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1F ZINC000050545636 524759044 /nfs/dbraw/zinc/75/90/44/524759044.db2.gz LRDAEZBDEODBKR-HNNXBMFYSA-N 2 0 264.388 2.954 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1F ZINC000227376321 524771337 /nfs/dbraw/zinc/77/13/37/524771337.db2.gz UGNGCWXCOSDGNI-GXTWGEPZSA-N 2 0 250.361 2.706 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192905151 524783416 /nfs/dbraw/zinc/78/34/16/524783416.db2.gz HZAYFCMFVPHDFV-MGNMYUMUSA-N 2 0 288.435 2.977 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353522433 524806140 /nfs/dbraw/zinc/80/61/40/524806140.db2.gz UXJARKXJWXAHOZ-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000168655642 524847507 /nfs/dbraw/zinc/84/75/07/524847507.db2.gz USFBSCVHPIDTGR-NWDGAFQWSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000168674170 524862198 /nfs/dbraw/zinc/86/21/98/524862198.db2.gz PEEYDIVBQOGUAX-AAEUAGOBSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2(C)Cc3ccccc3C2)CC[NH2+]1 ZINC000334845333 524896836 /nfs/dbraw/zinc/89/68/36/524896836.db2.gz FVGQOMLJPZLYSK-UONOGXRCSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000360861834 524902428 /nfs/dbraw/zinc/90/24/28/524902428.db2.gz TZTBTLMGLROBBP-IUODEOHRSA-N 2 0 266.816 2.812 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000050577664 524976533 /nfs/dbraw/zinc/97/65/33/524976533.db2.gz WLFNVWRLIKYXJP-ZDUSSCGKSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000150301341 524989194 /nfs/dbraw/zinc/98/91/94/524989194.db2.gz DRAWRNKVSBFIIW-MFKMUULPSA-N 2 0 254.324 2.793 20 0 CFADRP Cc1cccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n21 ZINC000336054485 524992007 /nfs/dbraw/zinc/99/20/07/524992007.db2.gz GTFVRCNZXAQNLP-KRWDZBQOSA-N 2 0 298.434 2.607 20 0 CFADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000066990217 525015957 /nfs/dbraw/zinc/01/59/57/525015957.db2.gz VYZJGPGRJDIQHW-GASCZTMLSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000334857868 525095715 /nfs/dbraw/zinc/09/57/15/525095715.db2.gz PPOFEGWXIZALIW-BXUZGUMPSA-N 2 0 260.406 2.989 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335238000 525140816 /nfs/dbraw/zinc/14/08/16/525140816.db2.gz IAROKKIRGLPMTK-QZTJIDSGSA-N 2 0 288.435 2.713 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309730378 525332599 /nfs/dbraw/zinc/33/25/99/525332599.db2.gz OUBJBLICEFDQST-INIZCTEOSA-N 2 0 290.476 2.994 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccncc2F)CC[NH+](C)CC1 ZINC000340393133 525339252 /nfs/dbraw/zinc/33/92/52/525339252.db2.gz FICJHPJRFSVCPM-GFCCVEGCSA-N 2 0 297.443 2.699 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360907247 525412979 /nfs/dbraw/zinc/41/29/79/525412979.db2.gz WIVMOUBZIZKYMW-WBVHZDCISA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000361891720 525421921 /nfs/dbraw/zinc/42/19/21/525421921.db2.gz YBVGKZDVVHRJSV-OAHLLOKOSA-N 2 0 298.430 2.947 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccccc1OC(F)F ZINC000311132043 525473192 /nfs/dbraw/zinc/47/31/92/525473192.db2.gz WTECDBZIBPZVAQ-VHSXEESVSA-N 2 0 258.312 2.533 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccccn1 ZINC000237485270 525519882 /nfs/dbraw/zinc/51/98/82/525519882.db2.gz VIMHPPJDDBITIY-CQSZACIVSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@@H](O)C[C@@H](C)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000361034027 525817562 /nfs/dbraw/zinc/81/75/62/525817562.db2.gz WFBKUCGTZAMYQJ-HZPDHXFCSA-N 2 0 292.467 2.894 20 0 CFADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000163369799 526033583 /nfs/dbraw/zinc/03/35/83/526033583.db2.gz VREJTZQAEJVKLT-UWWQBHOKSA-N 2 0 288.435 2.795 20 0 CFADRP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000228761324 526095892 /nfs/dbraw/zinc/09/58/92/526095892.db2.gz IIYHWIIBGIVHGU-LBPRGKRZSA-N 2 0 282.815 2.909 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC[N@H+]3CC=CCC3)c2c1 ZINC000338713314 526114791 /nfs/dbraw/zinc/11/47/91/526114791.db2.gz QJYBYGZETGKNKZ-UHFFFAOYSA-N 2 0 267.376 2.639 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979839 526118652 /nfs/dbraw/zinc/11/86/52/526118652.db2.gz JSUOLDSZJRUECT-ZIAGYGMSSA-N 2 0 292.398 2.574 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)ccc2n1 ZINC000334868475 526231961 /nfs/dbraw/zinc/23/19/61/526231961.db2.gz KAGVRKGHMBZBSR-CJNGLKHVSA-N 2 0 269.392 2.773 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCCO)CC1 ZINC000158989087 526246032 /nfs/dbraw/zinc/24/60/32/526246032.db2.gz DEHHFGVNOYEKGH-INIZCTEOSA-N 2 0 282.472 2.735 20 0 CFADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423174629 526310483 /nfs/dbraw/zinc/31/04/83/526310483.db2.gz BMKYJEWEBJRPRK-JZIMQPMSSA-N 2 0 276.424 2.901 20 0 CFADRP c1[nH]c2ncccc2c1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000336409412 526394869 /nfs/dbraw/zinc/39/48/69/526394869.db2.gz MGIYEDDHMFWYPU-CQSZACIVSA-N 2 0 298.434 2.742 20 0 CFADRP c1[nH]nc2c1cccc2C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334852151 526396766 /nfs/dbraw/zinc/39/67/66/526396766.db2.gz CNMCHLWDEKGWPA-INIZCTEOSA-N 2 0 284.407 2.527 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000422741492 526831503 /nfs/dbraw/zinc/83/15/03/526831503.db2.gz ONLNCCNNXHIRGA-NWDGAFQWSA-N 2 0 281.469 2.700 20 0 CFADRP Cc1sccc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000339357211 526913204 /nfs/dbraw/zinc/91/32/04/526913204.db2.gz PIJYERVZBDBEHY-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP Clc1sccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336293651 527013833 /nfs/dbraw/zinc/01/38/33/527013833.db2.gz XRPBQHMEQUYSIK-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cc2s1 ZINC000334867393 527138163 /nfs/dbraw/zinc/13/81/63/527138163.db2.gz DMXJHCYERIPCMP-GXFFZTMASA-N 2 0 275.421 2.835 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000062712466 527182312 /nfs/dbraw/zinc/18/23/12/527182312.db2.gz MRLSGUFTPKIPMA-LBPRGKRZSA-N 2 0 299.212 2.601 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000078492976 527191581 /nfs/dbraw/zinc/19/15/81/527191581.db2.gz ZVELLLIHJZNHMA-LBPRGKRZSA-N 2 0 292.814 2.549 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000084220578 527235427 /nfs/dbraw/zinc/23/54/27/527235427.db2.gz RTKJCKQKDQLUSH-YPMHNXCESA-N 2 0 283.213 2.666 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414803119 527257202 /nfs/dbraw/zinc/25/72/02/527257202.db2.gz LKHMNBNVBXPXSH-ZIAGYGMSSA-N 2 0 250.361 2.789 20 0 CFADRP C(COC1CCCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422757729 527487524 /nfs/dbraw/zinc/48/75/24/527487524.db2.gz IWAMASSQKGHMRJ-YIONKMFJSA-N 2 0 266.429 2.598 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000335147959 527569244 /nfs/dbraw/zinc/56/92/44/527569244.db2.gz YHWAYBSXRVBQRZ-TZMCWYRMSA-N 2 0 270.380 2.806 20 0 CFADRP CC(C)C1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422924999 527615637 /nfs/dbraw/zinc/61/56/37/527615637.db2.gz ZQKMFERWZPNTLP-ZBFHGGJFSA-N 2 0 260.425 2.971 20 0 CFADRP O[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364842199 527675713 /nfs/dbraw/zinc/67/57/13/527675713.db2.gz CVOYPHGHHGIQSK-SJLPKXTDSA-N 2 0 294.483 2.782 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCC(F)(F)F)[C@H](C)C1 ZINC000174771812 527752731 /nfs/dbraw/zinc/75/27/31/527752731.db2.gz GFANZQOADZYYIM-CHWSQXEVSA-N 2 0 296.377 2.618 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)(C)C ZINC000423194724 527809228 /nfs/dbraw/zinc/80/92/28/527809228.db2.gz YKIDVNCRLBVRJD-MRXNPFEDSA-N 2 0 283.504 2.722 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422721138 527832264 /nfs/dbraw/zinc/83/22/64/527832264.db2.gz URHPKMJOORWIRG-OPKDVZQQSA-N 2 0 268.445 2.545 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422738927 527846920 /nfs/dbraw/zinc/84/69/20/527846920.db2.gz KLIHLSMYKRIQBF-ZWKOTPCHSA-N 3 0 289.467 2.745 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C[C@@H]1Oc1ccccc1 ZINC000423215599 527871091 /nfs/dbraw/zinc/87/10/91/527871091.db2.gz QVGFLTUDDORLGY-UAGQMJEPSA-N 2 0 288.435 2.822 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(C(C)C)s2)[C@H](C)C1 ZINC000426301800 527879229 /nfs/dbraw/zinc/87/92/29/527879229.db2.gz OULIZLSUUXYMTQ-OLZOCXBDSA-N 2 0 296.484 2.524 20 0 CFADRP CC(C)OC1CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000428098216 527879461 /nfs/dbraw/zinc/87/94/61/527879461.db2.gz UMXBIEBPCHQZSL-UHFFFAOYSA-N 2 0 266.429 2.549 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@H](C)C1 ZINC000414284102 527879484 /nfs/dbraw/zinc/87/94/84/527879484.db2.gz QCGKFRYVUMIXLZ-UTUOFQBUSA-N 2 0 266.351 2.895 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000178594124 527880258 /nfs/dbraw/zinc/88/02/58/527880258.db2.gz NZEIQIDDALGQJS-CJNGLKHVSA-N 2 0 294.414 2.697 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C12CCCCC2 ZINC000423332416 527938359 /nfs/dbraw/zinc/93/83/59/527938359.db2.gz DESAUNMAEVZPBS-JKSUJKDBSA-N 2 0 278.440 2.624 20 0 CFADRP CC1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423340893 527986975 /nfs/dbraw/zinc/98/69/75/527986975.db2.gz VYHNHYHYFRRIOW-KRWDZBQOSA-N 2 0 272.436 2.987 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423141921 527989826 /nfs/dbraw/zinc/98/98/26/527989826.db2.gz SJEJHISYPWQSCP-WCXIOVBPSA-N 2 0 281.488 2.617 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415127234 528031745 /nfs/dbraw/zinc/03/17/45/528031745.db2.gz QOJFRUBMVNORMR-NUEKZKHPSA-N 2 0 268.445 2.641 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177275552 528048652 /nfs/dbraw/zinc/04/86/52/528048652.db2.gz UONHBLLTQIAXAP-HRCADAONSA-N 2 0 282.472 2.996 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422712763 528059940 /nfs/dbraw/zinc/05/99/40/528059940.db2.gz OQLMOZBRIGLDKF-HOTGVXAUSA-N 2 0 269.477 2.748 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423164367 528086350 /nfs/dbraw/zinc/08/63/50/528086350.db2.gz OGTDLXXXVCNHMM-ZHCJQAHYSA-N 2 0 280.456 2.843 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423538984 528132094 /nfs/dbraw/zinc/13/20/94/528132094.db2.gz OGPYNMIQTBGXPL-JKSUJKDBSA-N 2 0 280.456 2.726 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423236980 528135804 /nfs/dbraw/zinc/13/58/04/528135804.db2.gz HSGRYWJZLNBBML-ZENOOKHLSA-N 2 0 263.429 2.525 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423233932 528144934 /nfs/dbraw/zinc/14/49/34/528144934.db2.gz FAXHREWKDBNPSY-FZKQIMNGSA-N 2 0 298.434 2.968 20 0 CFADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422720697 528149939 /nfs/dbraw/zinc/14/99/39/528149939.db2.gz MSMAHDISTPVQGE-GJZGRUSLSA-N 2 0 290.451 2.992 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422863557 528151833 /nfs/dbraw/zinc/15/18/33/528151833.db2.gz RZLPAHGRFTYCKM-WMZOPIPTSA-N 2 0 290.451 2.981 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422854737 528152580 /nfs/dbraw/zinc/15/25/80/528152580.db2.gz BJVATEDZJOMOOE-SJORKVTESA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000414875577 528155901 /nfs/dbraw/zinc/15/59/01/528155901.db2.gz CDDMIMPMVIDVDO-CYBMUJFWSA-N 2 0 250.386 2.548 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422833439 528181101 /nfs/dbraw/zinc/18/11/01/528181101.db2.gz GWCWQIXWZCHJSD-WKUFJEKOSA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422952824 528205107 /nfs/dbraw/zinc/20/51/07/528205107.db2.gz DLIWWRRNXYHKEZ-GDBMZVCRSA-N 2 0 276.424 2.906 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414911558 528224492 /nfs/dbraw/zinc/22/44/92/528224492.db2.gz WJZIYDVERHZQNX-OAHLLOKOSA-N 2 0 262.397 2.706 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414835471 528224902 /nfs/dbraw/zinc/22/49/02/528224902.db2.gz UEZGTHYNGJXIEI-OAHLLOKOSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000414800691 528226708 /nfs/dbraw/zinc/22/67/08/528226708.db2.gz SRBYGSASYGGGDR-HOCLYGCPSA-N 2 0 262.397 2.691 20 0 CFADRP CCN(CC)[C@@H](C[NH2+][C@H](C)CCC[NH3+])c1ccsc1 ZINC000422867617 528245658 /nfs/dbraw/zinc/24/56/58/528245658.db2.gz SOJSKMDDYHGVEM-HIFRSBDPSA-N 2 0 283.485 2.848 20 0 CFADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC000422828624 528246080 /nfs/dbraw/zinc/24/60/80/528246080.db2.gz OOYJEBRQKIBNDN-FCLJQHQZSA-N 2 0 281.488 2.616 20 0 CFADRP CC(C)c1nc(CC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000415103381 528272888 /nfs/dbraw/zinc/27/28/88/528272888.db2.gz KBUVTNYBFZTYDC-OLZOCXBDSA-N 2 0 281.469 2.787 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000422896548 528274875 /nfs/dbraw/zinc/27/48/75/528274875.db2.gz AJQMNCOAAIMNHI-OCCSQVGLSA-N 2 0 281.469 2.916 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccsc1 ZINC000422855139 528280955 /nfs/dbraw/zinc/28/09/55/528280955.db2.gz DOGMUTRFQXZIDY-RBSFLKMASA-N 2 0 281.469 2.600 20 0 CFADRP CCCC[N@H+](C)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422719842 528347189 /nfs/dbraw/zinc/34/71/89/528347189.db2.gz YMVUDZSTQGVNEJ-CVEARBPZSA-N 2 0 269.477 2.619 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000417821461 528347213 /nfs/dbraw/zinc/34/72/13/528347213.db2.gz ZAXWYKKIWILCGG-HNNXBMFYSA-N 2 0 289.423 2.513 20 0 CFADRP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000426290275 528422132 /nfs/dbraw/zinc/42/21/32/528422132.db2.gz OOXHPIUHRHDKAM-JHJVBQTASA-N 2 0 296.484 2.522 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1OCC ZINC000415027649 528463321 /nfs/dbraw/zinc/46/33/21/528463321.db2.gz WVONYEJIDOOLGQ-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000414807123 528466070 /nfs/dbraw/zinc/46/60/70/528466070.db2.gz QVDVSTNKUMZTNZ-HIFRSBDPSA-N 2 0 280.387 2.832 20 0 CFADRP CC(C)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968319 528466052 /nfs/dbraw/zinc/46/60/52/528466052.db2.gz WIGDGBALZJGHAB-BRWVUGGUSA-N 2 0 281.488 2.617 20 0 CFADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423304541 528473500 /nfs/dbraw/zinc/47/35/00/528473500.db2.gz YXYQZKPEVCIAGW-GHMZBOCLSA-N 2 0 270.804 2.984 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000423189705 528487407 /nfs/dbraw/zinc/48/74/07/528487407.db2.gz RBSYXNYKIAGMMK-QGZVFWFLSA-N 2 0 276.424 2.569 20 0 CFADRP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414753490 528488130 /nfs/dbraw/zinc/48/81/30/528488130.db2.gz DSYPMTSKNLZSDQ-BFYDXBDKSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422808864 528498166 /nfs/dbraw/zinc/49/81/66/528498166.db2.gz OYLANEZSWGIRDH-SZMVWBNQSA-N 2 0 292.467 2.579 20 0 CFADRP CCN(CC[NH2+][C@@H](C)CCCC[NH3+])c1ccccc1C ZINC000422883220 528513777 /nfs/dbraw/zinc/51/37/77/528513777.db2.gz QBGQJMJXQDRSGI-INIZCTEOSA-N 2 0 277.456 2.928 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000414853437 528517616 /nfs/dbraw/zinc/51/76/16/528517616.db2.gz SNCDWKLFHXXBKT-JQHSSLGASA-N 2 0 295.515 2.993 20 0 CFADRP CC[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414696569 528590886 /nfs/dbraw/zinc/59/08/86/528590886.db2.gz GMWBSPSRJLZUSV-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP CC[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414696567 528591342 /nfs/dbraw/zinc/59/13/42/528591342.db2.gz GMWBSPSRJLZUSV-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1OCC ZINC000423328585 528605850 /nfs/dbraw/zinc/60/58/50/528605850.db2.gz KXCGTQVAVXHZMV-ZDUSSCGKSA-N 2 0 280.412 2.874 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423336345 528606257 /nfs/dbraw/zinc/60/62/57/528606257.db2.gz GUCYCGZMHRJXSU-ZDUSSCGKSA-N 2 0 260.381 2.656 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423242234 528607044 /nfs/dbraw/zinc/60/70/44/528607044.db2.gz FAVNMMMBGSUZRG-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP CCCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414837954 528624809 /nfs/dbraw/zinc/62/48/09/528624809.db2.gz WPMPBICCJMAQJJ-OAHLLOKOSA-N 2 0 292.423 2.573 20 0 CFADRP CCCc1ccc2[nH+]ccc(NCCCC[NH3+])c2c1 ZINC000420239698 528631943 /nfs/dbraw/zinc/63/19/43/528631943.db2.gz SURKIESBBUBHRT-UHFFFAOYSA-N 2 0 257.381 2.760 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000422816676 528641627 /nfs/dbraw/zinc/64/16/27/528641627.db2.gz FRNRSRIHZCHKDE-YIYPIFLZSA-N 2 0 256.434 2.686 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414846290 528655006 /nfs/dbraw/zinc/65/50/06/528655006.db2.gz DXINNEOEUPVUNR-ZFWWWQNUSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414846286 528656066 /nfs/dbraw/zinc/65/60/66/528656066.db2.gz DXINNEOEUPVUNR-HIFRSBDPSA-N 2 0 262.397 2.563 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415049264 528689588 /nfs/dbraw/zinc/68/95/88/528689588.db2.gz XRIFEEIXEXFNFG-UKRRQHHQSA-N 2 0 292.423 2.701 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422899053 528690878 /nfs/dbraw/zinc/69/08/78/528690878.db2.gz NMAGDMNHPGBOBV-YOEHRIQHSA-N 2 0 276.424 2.953 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414796576 528690957 /nfs/dbraw/zinc/69/09/57/528690957.db2.gz OHAPCDUCBLEHAZ-ZBFHGGJFSA-N 2 0 262.397 2.692 20 0 CFADRP CCCCOc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422892528 528695184 /nfs/dbraw/zinc/69/51/84/528695184.db2.gz NEXFQJOFMWUQOK-CYBMUJFWSA-N 2 0 262.397 2.563 20 0 CFADRP CCCCOc1ccccc1C[NH2+][C@H](C)CC[NH3+] ZINC000414895172 528702327 /nfs/dbraw/zinc/70/23/27/528702327.db2.gz MQMSRFBVJWFNQK-CYBMUJFWSA-N 2 0 250.386 2.692 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422776052 528724947 /nfs/dbraw/zinc/72/49/47/528724947.db2.gz CADOJUVTYKVLDI-ZDUSSCGKSA-N 2 0 262.397 2.878 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000423137344 528737517 /nfs/dbraw/zinc/73/75/17/528737517.db2.gz WDGLFKJRIUNHQJ-STQMWFEESA-N 2 0 265.401 2.543 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423155491 528760724 /nfs/dbraw/zinc/76/07/24/528760724.db2.gz QMLAODZYXRTOPJ-GRAKBVBRSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423157546 528779534 /nfs/dbraw/zinc/77/95/34/528779534.db2.gz VOTXQPMFWDHKOO-ZKXLYKBJSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423151902 528795472 /nfs/dbraw/zinc/79/54/72/528795472.db2.gz KTDAXFJOGHPRDU-HJWJTTGWSA-N 2 0 260.425 2.827 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422922003 528829096 /nfs/dbraw/zinc/82/90/96/528829096.db2.gz ROYZFRPXBFPHAJ-QXSJWSMHSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422868110 528836467 /nfs/dbraw/zinc/83/64/67/528836467.db2.gz ULLIZBOEBWCAHB-CRAIPNDOSA-N 3 0 289.467 2.744 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422818549 528856791 /nfs/dbraw/zinc/85/67/91/528856791.db2.gz KQBUZLOAMNAMRO-BZSNNMDCSA-N 2 0 295.515 2.994 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000414810048 528949136 /nfs/dbraw/zinc/94/91/36/528949136.db2.gz NHJMDKBCKRGAMF-AWEZNQCLSA-N 2 0 291.439 2.819 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000414808122 528949531 /nfs/dbraw/zinc/94/95/31/528949531.db2.gz KFKVKXUYKGTNMF-LBPRGKRZSA-N 2 0 295.402 2.650 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000414812712 528952960 /nfs/dbraw/zinc/95/29/60/528952960.db2.gz RMWQHVNFKOTESM-DOTOQJQBSA-N 2 0 289.467 2.614 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414810857 528953245 /nfs/dbraw/zinc/95/32/45/528953245.db2.gz OUDVBPKSDSFDRB-OAHLLOKOSA-N 2 0 276.424 2.660 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000000757628 528986821 /nfs/dbraw/zinc/98/68/21/528986821.db2.gz ZFCQQXGJKCTNTQ-UHFFFAOYSA-N 2 0 266.816 2.956 20 0 CFADRP CC(C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968323 529013849 /nfs/dbraw/zinc/01/38/49/529013849.db2.gz WIGDGBALZJGHAB-ULQDDVLXSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423263868 529029070 /nfs/dbraw/zinc/02/90/70/529029070.db2.gz BGURWCLOSSJVNC-SJORKVTESA-N 2 0 278.440 2.801 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414790741 529071432 /nfs/dbraw/zinc/07/14/32/529071432.db2.gz GSGXXGCOSQRSRO-BXUZGUMPSA-N 2 0 297.830 2.630 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423306053 529121939 /nfs/dbraw/zinc/12/19/39/529121939.db2.gz LCHMUFFKKODNNO-HZMBPMFUSA-N 2 0 256.340 2.846 20 0 CFADRP CC[C@@H](NCCC[NH+](C(C)C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422988917 529161000 /nfs/dbraw/zinc/16/10/00/529161000.db2.gz ALVLNWOCPZVPMC-CVEARBPZSA-N 2 0 269.477 2.616 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000178416791 529161268 /nfs/dbraw/zinc/16/12/68/529161268.db2.gz YTQJFGICZAIONZ-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP CCSCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423111759 529177973 /nfs/dbraw/zinc/17/79/73/529177973.db2.gz JDQJOEMUNQXINF-ZFWWWQNUSA-N 2 0 266.454 2.678 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])OC ZINC000423159389 529248249 /nfs/dbraw/zinc/24/82/49/529248249.db2.gz PAAPONAWPUCMPK-ABFRBSLYSA-N 2 0 278.440 2.596 20 0 CFADRP CCSc1cccc(C[NH2+]C[C@@H](C)C[NH2+]C)c1 ZINC000414847878 529252404 /nfs/dbraw/zinc/25/24/04/529252404.db2.gz WHRZLPRHTMTHMO-LBPRGKRZSA-N 2 0 252.427 2.744 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1C ZINC000422916840 529368152 /nfs/dbraw/zinc/36/81/52/529368152.db2.gz BQHGENPIAZPYHK-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422919298 529369039 /nfs/dbraw/zinc/36/90/39/529369039.db2.gz JMWVMWNYEVPZGU-BFYDXBDKSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422848382 529369241 /nfs/dbraw/zinc/36/92/41/529369241.db2.gz JWJDHPMCKAZIHH-JGGQBBKZSA-N 2 0 280.387 2.700 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422721854 529369646 /nfs/dbraw/zinc/36/96/46/529369646.db2.gz WEWUWKXFTNFUDC-TXCZRRACSA-N 2 0 276.424 2.522 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422721853 529369812 /nfs/dbraw/zinc/36/98/12/529369812.db2.gz WEWUWKXFTNFUDC-MUIFIZLQSA-N 2 0 276.424 2.522 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000355682662 535269313 /nfs/dbraw/zinc/26/93/13/535269313.db2.gz QEVLJXWIONWVLH-FGTMMUONSA-N 2 0 295.515 2.911 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CCOC)cc1 ZINC000268820897 535411371 /nfs/dbraw/zinc/41/13/71/535411371.db2.gz OBYZDJXQELOZAE-OAHLLOKOSA-N 2 0 294.439 2.704 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2conc2C)CC1 ZINC000507207059 535496988 /nfs/dbraw/zinc/49/69/88/535496988.db2.gz CTEAVIRZBJMOCM-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)COC)cc1 ZINC000268762244 535554001 /nfs/dbraw/zinc/55/40/01/535554001.db2.gz HUCLHIIEAKCKRI-OAHLLOKOSA-N 2 0 294.439 2.532 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C)c2)CC1 ZINC000449752295 535674657 /nfs/dbraw/zinc/67/46/57/535674657.db2.gz MQWCSOZCYBXDSG-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)C1CCC1 ZINC000453056131 535703175 /nfs/dbraw/zinc/70/31/75/535703175.db2.gz FYHDFSXMHKCUHC-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H](C)O ZINC000449544675 535802855 /nfs/dbraw/zinc/80/28/55/535802855.db2.gz RGHKDIPWMGJXMF-DOTOQJQBSA-N 2 0 292.467 2.894 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCCF)C1 ZINC000341879639 536181678 /nfs/dbraw/zinc/18/16/78/536181678.db2.gz CBFACPNMKTZIIN-HNNXBMFYSA-N 2 0 256.409 2.790 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000459728593 536384308 /nfs/dbraw/zinc/38/43/08/536384308.db2.gz IKRHLMAANVJKLO-LLVKDONJSA-N 2 0 286.341 2.925 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)ccc2F)C1 ZINC000459732674 536384688 /nfs/dbraw/zinc/38/46/88/536384688.db2.gz MNLNSWVWOJXTJT-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000435396000 536517729 /nfs/dbraw/zinc/51/77/29/536517729.db2.gz UCHUSHQFHMRODJ-ZFWWWQNUSA-N 2 0 294.414 2.684 20 0 CFADRP COc1cc(C)ccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459789213 536651813 /nfs/dbraw/zinc/65/18/13/536651813.db2.gz QLFMJYPYEGZRBX-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444605339 536769463 /nfs/dbraw/zinc/76/94/63/536769463.db2.gz DEVSSVRHGCMTKI-WBVHZDCISA-N 2 0 296.455 2.574 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000151947229 545553928 /nfs/dbraw/zinc/55/39/28/545553928.db2.gz KRRBZXAAJHMYRR-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1ccc2[nH]ccc2c1 ZINC000682549137 545562390 /nfs/dbraw/zinc/56/23/90/545562390.db2.gz JEIJWCGFPJREBR-UHFFFAOYSA-N 2 0 259.397 2.942 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000261531583 545566650 /nfs/dbraw/zinc/56/66/50/545566650.db2.gz HECOHBSSLYIOAH-KCJUWKMLSA-N 2 0 289.242 2.598 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000261531584 545566726 /nfs/dbraw/zinc/56/67/26/545566726.db2.gz HECOHBSSLYIOAH-KWQFWETISA-N 2 0 289.242 2.598 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OC)c2F)CC1 ZINC000165832609 545576714 /nfs/dbraw/zinc/57/67/14/545576714.db2.gz QBNZTFSXRUSCTF-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCCO)C[C@@H]1C ZINC000744404140 574073005 /nfs/dbraw/zinc/07/30/05/574073005.db2.gz IEWXEDRJJKVPDW-HOTGVXAUSA-N 2 0 270.461 2.734 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000731213937 574114020 /nfs/dbraw/zinc/11/40/20/574114020.db2.gz GRMZLABMQYGOEZ-UHFFFAOYSA-N 2 0 256.510 2.916 20 0 CFADRP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000756107244 574209544 /nfs/dbraw/zinc/20/95/44/574209544.db2.gz PONKWSWIHHDOOG-MAUKXSAKSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000756107234 574209647 /nfs/dbraw/zinc/20/96/47/574209647.db2.gz PONKWSWIHHDOOG-CRAIPNDOSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000730106771 574253513 /nfs/dbraw/zinc/25/35/13/574253513.db2.gz IPZLFHOQKKSRPY-OAHLLOKOSA-N 2 0 262.397 2.515 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000396445366 574355116 /nfs/dbraw/zinc/35/51/16/574355116.db2.gz DFHFMDVTHPGQOG-BMFZPTHFSA-N 2 0 268.445 2.510 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1F ZINC000396459586 574355332 /nfs/dbraw/zinc/35/53/32/574355332.db2.gz OYSBTTWLRMPOCE-GFCCVEGCSA-N 2 0 280.387 2.654 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3c(F)cc(F)cc3C2)CC1 ZINC000892177960 617983528 /nfs/dbraw/zinc/98/35/28/617983528.db2.gz ANAFLBFICOWYBM-UHFFFAOYSA-N 2 0 280.362 2.665 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414908159 617611279 /nfs/dbraw/zinc/61/12/79/617611279.db2.gz BCKRQIUBDAKVKC-MNOVXSKESA-N 2 0 253.415 2.626 20 0 CFADRP CCn1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)c(C)n1 ZINC000891611085 617684975 /nfs/dbraw/zinc/68/49/75/617684975.db2.gz FWHHUDUWRBSMBD-UHFFFAOYSA-N 2 0 292.471 2.765 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc(O)cc(Cl)c2)CC1 ZINC000891612114 617685714 /nfs/dbraw/zinc/68/57/14/617685714.db2.gz LYSVLVQVDFBVNV-UHFFFAOYSA-N 2 0 282.815 2.819 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2CCC(OC)CC2)CC1 ZINC000891742885 617735644 /nfs/dbraw/zinc/73/56/44/617735644.db2.gz FSWMBWVRURPSCG-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000891746363 617735964 /nfs/dbraw/zinc/73/59/64/617735964.db2.gz UCAYYNVPILCURK-UHFFFAOYSA-N 2 0 280.412 2.840 20 0 CFADRP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cnc1F ZINC000891774463 617746107 /nfs/dbraw/zinc/74/61/07/617746107.db2.gz BLJFBQLXWUYMDP-UHFFFAOYSA-N 2 0 279.403 2.693 20 0 CFADRP CC(C)(CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000926275318 617795916 /nfs/dbraw/zinc/79/59/16/617795916.db2.gz OEJCIVSURCTYDD-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP CC[NH+](CC)Cc1cccc(CNc2nc(N)cc(C)[nH+]2)c1 ZINC000891893643 617808977 /nfs/dbraw/zinc/80/89/77/617808977.db2.gz YJTCMSLVDKCZQT-UHFFFAOYSA-N 2 0 299.422 2.821 20 0 CFADRP CCC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000892101475 617949796 /nfs/dbraw/zinc/94/97/96/617949796.db2.gz MRJBDKSLRAISAD-GVDBMIGSSA-N 2 0 294.483 2.854 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2C2CC2)C[C@H]1C ZINC000892104929 617953013 /nfs/dbraw/zinc/95/30/13/617953013.db2.gz UPNDFMRIWCXLMR-CZUORRHYSA-N 2 0 290.455 2.602 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2C2CC2)C[C@H]1C ZINC000892104928 617953267 /nfs/dbraw/zinc/95/32/67/617953267.db2.gz UPNDFMRIWCXLMR-CJNGLKHVSA-N 2 0 290.455 2.602 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934398187 618031043 /nfs/dbraw/zinc/03/10/43/618031043.db2.gz XLUNHDKRBGMZFB-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000050269350 618105734 /nfs/dbraw/zinc/10/57/34/618105734.db2.gz WTYQQRUKIDZMAC-AWEZNQCLSA-N 2 0 252.402 2.532 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000261597249 618111343 /nfs/dbraw/zinc/11/13/43/618111343.db2.gz OWPQYRYCLJZIBU-GXFFZTMASA-N 2 0 272.314 2.793 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnn(C2CCC2)c1 ZINC000926113313 618111626 /nfs/dbraw/zinc/11/16/26/618111626.db2.gz FFWAZXHLDVGHPO-CQSZACIVSA-N 2 0 290.455 2.991 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000926113277 618111660 /nfs/dbraw/zinc/11/16/60/618111660.db2.gz DHPAOWLYWYDGHZ-CQSZACIVSA-N 2 0 291.439 2.863 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000926115579 618116555 /nfs/dbraw/zinc/11/65/55/618116555.db2.gz VLUHTCDMNICLMO-LBPRGKRZSA-N 2 0 280.387 2.914 20 0 CFADRP C(C[C@@H]1CCCCO1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261648761 618125094 /nfs/dbraw/zinc/12/50/94/618125094.db2.gz RAWVOVCKBYAIQP-NXOAAHMSSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000261705712 618129917 /nfs/dbraw/zinc/12/99/17/618129917.db2.gz IWRDSUONJUUDJK-COPLHBTASA-N 2 0 284.350 2.937 20 0 CFADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@@H]1CCCC[NH+]1C(C)C ZINC000933252515 618176971 /nfs/dbraw/zinc/17/69/71/618176971.db2.gz XLBHVUITNKADRC-ZWKOTPCHSA-N 2 0 295.515 2.911 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926538933 618189408 /nfs/dbraw/zinc/18/94/08/618189408.db2.gz DWMNAPONGHCXNO-SDKNFDLMSA-N 2 0 268.445 2.531 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@H]21 ZINC000262372835 618202393 /nfs/dbraw/zinc/20/23/93/618202393.db2.gz XQKLYFMHLHDRPF-SRCQZFHVSA-N 2 0 299.393 2.933 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1F ZINC000063200360 618208955 /nfs/dbraw/zinc/20/89/55/618208955.db2.gz DEKALXDESMCKOQ-HNNXBMFYSA-N 2 0 280.362 2.929 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000250997195 618209895 /nfs/dbraw/zinc/20/98/95/618209895.db2.gz OEEJZLUZBOCKCB-LSDHHAIUSA-N 2 0 276.424 2.558 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](C3CC3)C3CCOCC3)ccc12 ZINC000926567374 618213958 /nfs/dbraw/zinc/21/39/58/618213958.db2.gz LKDAXKBFCSBFOL-QGZVFWFLSA-N 2 0 285.391 2.629 20 0 CFADRP CS[C@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000235229764 618214425 /nfs/dbraw/zinc/21/44/25/618214425.db2.gz FWKRTUCRTUWTEL-HOCLYGCPSA-N 2 0 291.464 2.924 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)ccc12 ZINC000926568184 618214697 /nfs/dbraw/zinc/21/46/97/618214697.db2.gz QGMUPALPHYERDS-JGGQBBKZSA-N 2 0 253.349 2.779 20 0 CFADRP c1ccc2c(c1)C[NH+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000093678194 618215607 /nfs/dbraw/zinc/21/56/07/618215607.db2.gz MEIKDIUKVINXMN-FUCXHRTASA-N 2 0 256.393 2.923 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000926600142 618227089 /nfs/dbraw/zinc/22/70/89/618227089.db2.gz UFJACRMMQCUSDG-DOTOQJQBSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000892402464 618228051 /nfs/dbraw/zinc/22/80/51/618228051.db2.gz QEZASDUTQWKUEX-INIZCTEOSA-N 2 0 274.408 2.668 20 0 CFADRP C[N@@H+](CCc1cccs1)CC[C@@H]1CCC[NH2+]C1 ZINC000093268361 618234579 /nfs/dbraw/zinc/23/45/79/618234579.db2.gz LLFYRKOQQZKUQB-ZDUSSCGKSA-N 2 0 252.427 2.612 20 0 CFADRP FC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925572292 618253220 /nfs/dbraw/zinc/25/32/20/618253220.db2.gz HYWBQXTULWNLML-VXGBXAGGSA-N 2 0 264.335 2.697 20 0 CFADRP C[C@@H](O)CC(C)(C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925576677 618259700 /nfs/dbraw/zinc/25/97/00/618259700.db2.gz YQESSIYNACPFPL-ZBFHGGJFSA-N 2 0 278.440 2.853 20 0 CFADRP Cc1ccc2c(c1)CC[N@@H+](CC1CC[NH+](C)CC1)C2 ZINC000893981703 618260368 /nfs/dbraw/zinc/26/03/68/618260368.db2.gz PHWGBGPOKMORQW-UHFFFAOYSA-N 2 0 258.409 2.695 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[C@H]1CCCCO1 ZINC000925578882 618262607 /nfs/dbraw/zinc/26/26/07/618262607.db2.gz BSELRCFOCITGAV-LVQVYYBASA-N 2 0 294.483 2.948 20 0 CFADRP CC[C@@H](O)CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925580494 618265313 /nfs/dbraw/zinc/26/53/13/618265313.db2.gz LACGRIDNRYZSBP-HZPDHXFCSA-N 2 0 264.413 2.607 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccccc1 ZINC000925581336 618266099 /nfs/dbraw/zinc/26/60/99/618266099.db2.gz XHXJFIPGYLXGMU-QGZVFWFLSA-N 2 0 290.451 2.999 20 0 CFADRP CCC1CCC([N@H+](CCO)CC2CC[NH+](C)CC2)CC1 ZINC000894008434 618267684 /nfs/dbraw/zinc/26/76/84/618267684.db2.gz ZQRKTCMLFWGMAZ-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ncccc2Cl)C1 ZINC000925587253 618273312 /nfs/dbraw/zinc/27/33/12/618273312.db2.gz HMUGMXJOTXQHGH-VXGBXAGGSA-N 2 0 297.830 2.609 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000310282056 618277637 /nfs/dbraw/zinc/27/76/37/618277637.db2.gz HRUIUCZPGUGWGS-UWVGGRQHSA-N 2 0 252.324 2.825 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000310282059 618277989 /nfs/dbraw/zinc/27/79/89/618277989.db2.gz HRUIUCZPGUGWGS-VHSXEESVSA-N 2 0 252.324 2.825 20 0 CFADRP CC[C@@H](COC)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925106586 618283599 /nfs/dbraw/zinc/28/35/99/618283599.db2.gz OOSKIYNXEMRMGH-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925601468 618288548 /nfs/dbraw/zinc/28/85/48/618288548.db2.gz ZUCFXVIQMFSPBJ-JYJNAYRXSA-N 2 0 276.424 2.870 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893305412 618290807 /nfs/dbraw/zinc/29/08/07/618290807.db2.gz RKXBDXBYKQXSMJ-GUYCJALGSA-N 2 0 294.414 2.833 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925606451 618293189 /nfs/dbraw/zinc/29/31/89/618293189.db2.gz NXTKSYWTMFRMJK-FRRDWIJNSA-N 2 0 250.386 2.706 20 0 CFADRP C[C@@]1(Br)C[C@@H]1C[NH2+]CCC[NH+]1CCCCC1 ZINC000892461322 618297407 /nfs/dbraw/zinc/29/74/07/618297407.db2.gz GGUJSMAWFKNLJM-CHWSQXEVSA-N 2 0 289.261 2.626 20 0 CFADRP CCC[C@@](C)(O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925611098 618310291 /nfs/dbraw/zinc/31/02/91/618310291.db2.gz KFYWNWLZDQZDBD-JKSUJKDBSA-N 2 0 264.413 2.607 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925613226 618313208 /nfs/dbraw/zinc/31/32/08/618313208.db2.gz BERQDVXOVCJDJT-TVFCKZIOSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925614975 618317242 /nfs/dbraw/zinc/31/72/42/618317242.db2.gz DDQCUXOCGOOYLK-IXDOHACOSA-N 2 0 295.515 2.850 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000925618491 618327694 /nfs/dbraw/zinc/32/76/94/618327694.db2.gz USLUVQIQCCJXPG-HZPDHXFCSA-N 2 0 274.408 2.712 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925620255 618333167 /nfs/dbraw/zinc/33/31/67/618333167.db2.gz GABPKINUPVBBLA-YOEHRIQHSA-N 2 0 275.440 2.537 20 0 CFADRP CC(C)CSCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925624690 618347051 /nfs/dbraw/zinc/34/70/51/618347051.db2.gz AJYDDVSFYIHGAI-STQMWFEESA-N 2 0 258.475 2.871 20 0 CFADRP c1ccc2c(c1)CC(CC[NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000925627096 618352084 /nfs/dbraw/zinc/35/20/84/618352084.db2.gz WMGGYAMTELIFDD-KRWDZBQOSA-N 2 0 270.420 2.666 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892479976 618352873 /nfs/dbraw/zinc/35/28/73/618352873.db2.gz WAEMIKWHFLOXKF-WCQYABFASA-N 2 0 289.261 2.622 20 0 CFADRP CCCNC(=[NH2+])NC[C@@H](c1ccccc1)N(CC)CC ZINC000052040980 618368800 /nfs/dbraw/zinc/36/88/00/618368800.db2.gz BITRPVXBYILRLY-HNNXBMFYSA-N 2 0 276.428 2.593 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(F)c(F)c1 ZINC000925644862 618384562 /nfs/dbraw/zinc/38/45/62/618384562.db2.gz MLRRNMFKPDXRQJ-ZAQWFSBCSA-N 2 0 280.362 2.613 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925646714 618392535 /nfs/dbraw/zinc/39/25/35/618392535.db2.gz VHQDJJUTILGVJA-UONOGXRCSA-N 2 0 280.387 2.830 20 0 CFADRP CN(C)C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925646281 618392777 /nfs/dbraw/zinc/39/27/77/618392777.db2.gz XTACJQVMIXQFLM-INIZCTEOSA-N 2 0 275.440 2.541 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925648444 618396015 /nfs/dbraw/zinc/39/60/15/618396015.db2.gz BOTALPLGERIUTE-KXIUCKCTSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000894154427 618401112 /nfs/dbraw/zinc/40/11/12/618401112.db2.gz XLPSLJPKHMISQR-QGZVFWFLSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@H](C)O1 ZINC000925652722 618405616 /nfs/dbraw/zinc/40/56/16/618405616.db2.gz AEUXSRJPZPXMQY-JAPOXJDPSA-N 2 0 294.483 2.948 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1C ZINC000925657339 618412639 /nfs/dbraw/zinc/41/26/39/618412639.db2.gz NLRRQGSRZHSNHJ-DLBZAZTESA-N 2 0 288.435 2.932 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000776170056 618417912 /nfs/dbraw/zinc/41/79/12/618417912.db2.gz YIPKDBQJDANDJO-CQSZACIVSA-N 2 0 274.408 2.998 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)C[C@@H]([NH3+])C1 ZINC000925660169 618420353 /nfs/dbraw/zinc/42/03/53/618420353.db2.gz PLAGGHIRZSHQQD-ZBFHGGJFSA-N 2 0 287.451 2.956 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925662791 618426183 /nfs/dbraw/zinc/42/61/83/618426183.db2.gz LKVDMQDUQVCKJH-ROUUACIJSA-N 2 0 287.451 2.690 20 0 CFADRP Cc1ncoc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000894203029 618444300 /nfs/dbraw/zinc/44/43/00/618444300.db2.gz OTDDDIRBQQIOGJ-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925675232 618447018 /nfs/dbraw/zinc/44/70/18/618447018.db2.gz UWARRVWOXFPYMB-ZIAGYGMSSA-N 2 0 272.383 2.790 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925677356 618451724 /nfs/dbraw/zinc/45/17/24/618451724.db2.gz UHEOALHDUFPTMB-HZPDHXFCSA-N 2 0 256.393 2.732 20 0 CFADRP C[C@H]([NH3+])[C@H](NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000925677429 618453630 /nfs/dbraw/zinc/45/36/30/618453630.db2.gz PQYJHKSALFFZBR-WMZOPIPTSA-N 2 0 289.467 2.931 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000877696934 618456979 /nfs/dbraw/zinc/45/69/79/618456979.db2.gz BTWIWPDQBUJUAU-UKRRQHHQSA-N 2 0 270.486 2.838 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC1CCOCC1 ZINC000925679169 618457889 /nfs/dbraw/zinc/45/78/89/618457889.db2.gz HVSVHYNAMWZSPR-ZWKOTPCHSA-N 2 0 294.483 2.951 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC1CCOCC1 ZINC000925679163 618457903 /nfs/dbraw/zinc/45/79/03/618457903.db2.gz HVSVHYNAMWZSPR-MSOLQXFVSA-N 2 0 294.483 2.951 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)OC ZINC000925679681 618458097 /nfs/dbraw/zinc/45/80/97/618458097.db2.gz LGUITIOEUZEMEP-XUXIUFHCSA-N 2 0 256.434 2.543 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCC1(F)F ZINC000925681770 618463984 /nfs/dbraw/zinc/46/39/84/618463984.db2.gz XRBAYPPXLNDUID-LYGKVCMISA-N 2 0 272.383 2.917 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCC1(F)F ZINC000925681768 618464527 /nfs/dbraw/zinc/46/45/27/618464527.db2.gz XRBAYPPXLNDUID-FBBHTEKVSA-N 2 0 272.383 2.917 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925682553 618465364 /nfs/dbraw/zinc/46/53/64/618465364.db2.gz CLYKFRIGQBFWJO-BVUBDWEXSA-N 2 0 250.430 2.790 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc[nH]2)c1 ZINC000894206785 618469343 /nfs/dbraw/zinc/46/93/43/618469343.db2.gz JQEJVKZJDKQZPO-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1(C2CCC2)CCC1 ZINC000925685416 618478786 /nfs/dbraw/zinc/47/87/86/618478786.db2.gz MULDJUOOORWIBW-AMSCCUFHSA-N 2 0 260.425 2.543 20 0 CFADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1(C2CCC2)CCC1 ZINC000925685419 618479452 /nfs/dbraw/zinc/47/94/52/618479452.db2.gz MULDJUOOORWIBW-RHMLRGBNSA-N 2 0 260.425 2.543 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925686710 618479657 /nfs/dbraw/zinc/47/96/57/618479657.db2.gz VSVPJJHXAKSAOC-WTTBNOFXSA-N 2 0 288.435 2.794 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000895376690 618555594 /nfs/dbraw/zinc/55/55/94/618555594.db2.gz IFSSLIRXQSFXAP-GDBMZVCRSA-N 2 0 263.429 2.577 20 0 CFADRP Cc1ccncc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895378140 618557636 /nfs/dbraw/zinc/55/76/36/618557636.db2.gz HKVDATBHXRHFAU-RDJZCZTQSA-N 2 0 275.440 2.942 20 0 CFADRP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000895375859 618559131 /nfs/dbraw/zinc/55/91/31/618559131.db2.gz FCZMEKKOJQIWAX-XJKSGUPXSA-N 2 0 291.439 2.648 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895434743 618580820 /nfs/dbraw/zinc/58/08/20/618580820.db2.gz CORAXCFONZOSLU-SFHVURJKSA-N 2 0 287.451 2.539 20 0 CFADRP COC1CCC(C[NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000892517113 618605510 /nfs/dbraw/zinc/60/55/10/618605510.db2.gz ATXWICYUOYBKJL-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000924572462 618620924 /nfs/dbraw/zinc/62/09/24/618620924.db2.gz KRHNLDDREDLVHY-UONOGXRCSA-N 2 0 277.412 2.702 20 0 CFADRP COCCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000892606910 618651821 /nfs/dbraw/zinc/65/18/21/618651821.db2.gz GNTRISCQLRTXJT-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP COC1CCC(C[NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000892622813 618658345 /nfs/dbraw/zinc/65/83/45/618658345.db2.gz RYHVYCDPLUYHPZ-FHERZECASA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000924579603 618658932 /nfs/dbraw/zinc/65/89/32/618658932.db2.gz YVBRNOWIVBAVEK-GOSISDBHSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892642038 618668814 /nfs/dbraw/zinc/66/88/14/618668814.db2.gz JWIZFPHUGDWGSR-UHFFFAOYSA-N 2 0 276.424 2.614 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccnnc1 ZINC000924582628 618678407 /nfs/dbraw/zinc/67/84/07/618678407.db2.gz LZXZZWNQHAXIQE-OAHLLOKOSA-N 2 0 296.418 2.923 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccnnc1 ZINC000924582621 618678497 /nfs/dbraw/zinc/67/84/97/618678497.db2.gz LZXZZWNQHAXIQE-HNNXBMFYSA-N 2 0 296.418 2.923 20 0 CFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000892676063 618697269 /nfs/dbraw/zinc/69/72/69/618697269.db2.gz WRLMWTGFXIRUGA-PLSNTINESA-N 2 0 293.499 2.568 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000166220945 618703813 /nfs/dbraw/zinc/70/38/13/618703813.db2.gz IDTMOTCEFGYXSG-LBPRGKRZSA-N 2 0 279.428 2.544 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000381769238 618740406 /nfs/dbraw/zinc/74/04/06/618740406.db2.gz JBWQUSGZIQBDRU-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)Cc1ccc(CN[C@@H](C)CC[NH+](C)C)cn1 ZINC000892763152 618743223 /nfs/dbraw/zinc/74/32/23/618743223.db2.gz JVTNHCCQADOCQY-AWEZNQCLSA-N 2 0 263.429 2.710 20 0 CFADRP CCCSC[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000892939530 618774212 /nfs/dbraw/zinc/77/42/12/618774212.db2.gz RNGVCMGJFCZCPR-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@H](NCCC(C)(C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309786367 618774310 /nfs/dbraw/zinc/77/43/10/618774310.db2.gz NBFZWBXFLXKIDZ-DOTOQJQBSA-N 2 0 289.467 2.614 20 0 CFADRP Cc1nn(C(C)C)c(C)c1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000892946561 618778119 /nfs/dbraw/zinc/77/81/19/618778119.db2.gz GJYWASNZNUMVAX-HNNXBMFYSA-N 2 0 278.444 2.512 20 0 CFADRP CC[C@H]1CCC[C@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000784534958 618780355 /nfs/dbraw/zinc/78/03/55/618780355.db2.gz YWGZSNTXLHCYRP-ROUUACIJSA-N 2 0 295.515 2.820 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000893078445 618823192 /nfs/dbraw/zinc/82/31/92/618823192.db2.gz QTMYFLGYFAGJRU-INIZCTEOSA-N 2 0 296.842 2.959 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925504823 618832914 /nfs/dbraw/zinc/83/29/14/618832914.db2.gz PGWXMENENUBCGB-RRFJBIMHSA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925504821 618832993 /nfs/dbraw/zinc/83/29/93/618832993.db2.gz PGWXMENENUBCGB-QLFBSQMISA-N 2 0 280.456 2.702 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C12CCCC2)c1cccs1 ZINC000925505943 618834513 /nfs/dbraw/zinc/83/45/13/618834513.db2.gz PXDRKRCVAGWZGY-HIFRSBDPSA-N 2 0 293.480 2.615 20 0 CFADRP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1cccs1 ZINC000925505942 618834625 /nfs/dbraw/zinc/83/46/25/618834625.db2.gz PXDRKRCVAGWZGY-DZGCQCFKSA-N 2 0 293.480 2.615 20 0 CFADRP CSC[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925506734 618835287 /nfs/dbraw/zinc/83/52/87/618835287.db2.gz WXAUTGYOLDSZHL-JSGCOSHPSA-N 2 0 252.427 2.808 20 0 CFADRP CC(C)[NH+](CCN[C@H](c1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000925509645 618844814 /nfs/dbraw/zinc/84/48/14/618844814.db2.gz NKHRYBGYYCAJGN-WBVHZDCISA-N 2 0 277.456 2.783 20 0 CFADRP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925510457 618848271 /nfs/dbraw/zinc/84/82/71/618848271.db2.gz WZFLHEVIHINVPZ-HOCLYGCPSA-N 2 0 258.409 2.973 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925513026 618852559 /nfs/dbraw/zinc/85/25/59/618852559.db2.gz GYWNWPDFNFWWPZ-BMFZPTHFSA-N 2 0 274.408 2.622 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Cc1cccs1 ZINC000925514323 618852970 /nfs/dbraw/zinc/85/29/70/618852970.db2.gz DITKGJOIKJWPNY-TZMCWYRMSA-N 2 0 264.438 2.801 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(Cl)cc1 ZINC000925515950 618855319 /nfs/dbraw/zinc/85/53/19/618855319.db2.gz JWLIFMQAOAHEDA-KFWWJZLASA-N 2 0 294.826 2.887 20 0 CFADRP CCN(CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925520607 618859146 /nfs/dbraw/zinc/85/91/46/618859146.db2.gz RZORZZNVAUZMHM-DLBZAZTESA-N 2 0 287.451 2.763 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893171902 618862494 /nfs/dbraw/zinc/86/24/94/618862494.db2.gz QTFJYUBMYVAYBN-UHFFFAOYSA-N 2 0 260.425 2.777 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000893179629 618868766 /nfs/dbraw/zinc/86/87/66/618868766.db2.gz XWNSGAQGNLNOIR-UHFFFAOYSA-N 2 0 290.451 2.904 20 0 CFADRP CCOc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)o1 ZINC000893186906 618871951 /nfs/dbraw/zinc/87/19/51/618871951.db2.gz IEQLBTBDSWCQKR-UHFFFAOYSA-N 2 0 280.412 2.888 20 0 CFADRP C[C@H](CCN[C@H]1CC[NH2+]C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000925530788 618883099 /nfs/dbraw/zinc/88/30/99/618883099.db2.gz UKXYJLDCUFSWMM-WBVHZDCISA-N 2 0 289.467 2.627 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925530816 618883309 /nfs/dbraw/zinc/88/33/09/618883309.db2.gz VGEDRSSSELCVPP-HUUCEWRRSA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000925530228 618883569 /nfs/dbraw/zinc/88/35/69/618883569.db2.gz PTFVSKZGWPZLEF-INIZCTEOSA-N 2 0 279.472 2.514 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925530817 618883589 /nfs/dbraw/zinc/88/35/89/618883589.db2.gz VGEDRSSSELCVPP-LSDHHAIUSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925535843 618888745 /nfs/dbraw/zinc/88/87/45/618888745.db2.gz AHPHBDRNVFBTQH-LSDHHAIUSA-N 2 0 293.480 2.752 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCc2cccs2)CC1 ZINC000893232127 618896863 /nfs/dbraw/zinc/89/68/63/618896863.db2.gz YZBBJGWFRHGARK-UHFFFAOYSA-N 2 0 252.427 2.612 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000312162947 618900582 /nfs/dbraw/zinc/90/05/82/618900582.db2.gz UEHOUCJZXVRPDZ-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000893251701 618906974 /nfs/dbraw/zinc/90/69/74/618906974.db2.gz RIULMUNVLXLVOA-HNNXBMFYSA-N 2 0 290.451 2.805 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925552551 618914373 /nfs/dbraw/zinc/91/43/73/618914373.db2.gz JNSSLNJFYVHDMQ-DLBZAZTESA-N 3 0 293.499 2.763 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CCCS1 ZINC000925553496 618916191 /nfs/dbraw/zinc/91/61/91/618916191.db2.gz SVIMIJZHBVJUBW-SOUVJXGZSA-N 2 0 268.470 2.640 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925690493 618934960 /nfs/dbraw/zinc/93/49/60/618934960.db2.gz GNPDDWQDDGGFFG-IRXDYDNUSA-N 2 0 287.451 2.684 20 0 CFADRP C1=CO[C@H](C[NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000194385521 618935124 /nfs/dbraw/zinc/93/51/24/618935124.db2.gz MLUVLTJMAAWLFM-INIZCTEOSA-N 2 0 266.429 2.925 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)C12CCC2 ZINC000925693823 618940172 /nfs/dbraw/zinc/94/01/72/618940172.db2.gz MTXSPJMAQTVIDZ-MYPMTAMASA-N 2 0 260.356 2.541 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)CC(F)(F)F ZINC000925695970 618947734 /nfs/dbraw/zinc/94/77/34/618947734.db2.gz IXPCHIJDZIOQDB-MNOVXSKESA-N 2 0 264.335 2.839 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc2c1C[NH2+]C2 ZINC000925698178 618951504 /nfs/dbraw/zinc/95/15/04/618951504.db2.gz CQXDFPZDQIITPM-RBUKOAKNSA-N 3 0 299.462 2.548 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C12CCC2 ZINC000925702583 618955980 /nfs/dbraw/zinc/95/59/80/618955980.db2.gz ORQBPUUXWPEHMJ-USXIJHARSA-N 2 0 285.435 2.663 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925702923 618956287 /nfs/dbraw/zinc/95/62/87/618956287.db2.gz BIRPGCLJBXHIPZ-OAHLLOKOSA-N 3 0 287.451 2.661 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C2CCC2)c1 ZINC000925703115 618956979 /nfs/dbraw/zinc/95/69/79/618956979.db2.gz CIHOZDGRSNLAEF-CYBMUJFWSA-N 2 0 274.412 2.521 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CC12CCSCC2 ZINC000925710592 618964240 /nfs/dbraw/zinc/96/42/40/618964240.db2.gz XCUYPQVWFJDLHP-KGLIPLIRSA-N 2 0 280.481 2.784 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925709977 618964694 /nfs/dbraw/zinc/96/46/94/618964694.db2.gz PTXDXQOULZZJHY-CHWSQXEVSA-N 2 0 282.453 2.890 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@@H]2CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925722245 618984296 /nfs/dbraw/zinc/98/42/96/618984296.db2.gz KEPYIKDYQLSAHZ-CRWXNKLISA-N 2 0 268.470 2.638 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000093209790 618990023 /nfs/dbraw/zinc/99/00/23/618990023.db2.gz BLQFQZUPXHIICM-FUHWJXTLSA-N 2 0 287.451 2.511 20 0 CFADRP CCC[C@H](CCO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925723557 618992972 /nfs/dbraw/zinc/99/29/72/618992972.db2.gz BJSDDFGOCSRDMW-CVEARBPZSA-N 2 0 264.413 2.607 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925724635 619002242 /nfs/dbraw/zinc/00/22/42/619002242.db2.gz BTLYWEYODOAALW-YOEHRIQHSA-N 2 0 285.435 2.850 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000893471409 619010491 /nfs/dbraw/zinc/01/04/91/619010491.db2.gz REIQGNUCDMWFCY-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H]2CCCC[C@H]12 ZINC000893496408 619020424 /nfs/dbraw/zinc/02/04/24/619020424.db2.gz BJZUOLCGMROJEC-BMFZPTHFSA-N 2 0 250.430 2.839 20 0 CFADRP OC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000093491800 619030643 /nfs/dbraw/zinc/03/06/43/619030643.db2.gz HVTWPRROZKEJHF-HRCADAONSA-N 2 0 280.456 2.582 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)C[C@@H]([NH3+])C1 ZINC000925730243 619031087 /nfs/dbraw/zinc/03/10/87/619031087.db2.gz VEYJNUHDBQFQJH-ILXRZTDVSA-N 2 0 280.456 2.974 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000925731554 619037895 /nfs/dbraw/zinc/03/78/95/619037895.db2.gz TVZSRXCACDOKKG-RSJGLCBASA-N 2 0 292.467 2.702 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000925731553 619037913 /nfs/dbraw/zinc/03/79/13/619037913.db2.gz TVZSRXCACDOKKG-KFGODFMUSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925734008 619043895 /nfs/dbraw/zinc/04/38/95/619043895.db2.gz ZEUCSAZYFGGQSJ-UAGQMJEPSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Br)nc1 ZINC000925736575 619046742 /nfs/dbraw/zinc/04/67/42/619046742.db2.gz BRGRRJYRHOQIQG-VIFPVBQESA-N 2 0 286.217 2.622 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000925740276 619049866 /nfs/dbraw/zinc/04/98/66/619049866.db2.gz HNVQUVVMFUNNBZ-GOEBONIOSA-N 2 0 276.424 2.871 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])ccc1F ZINC000925740377 619050090 /nfs/dbraw/zinc/05/00/90/619050090.db2.gz JRXLJMFINWMEON-JTQLQIEISA-N 2 0 254.349 2.612 20 0 CFADRP Cc1ccc2c(C[N@@H+](C)CC(C)(C)C[NH3+])cc(=O)oc2c1 ZINC000093874287 619063327 /nfs/dbraw/zinc/06/33/27/619063327.db2.gz DJEGGMDUXDVZCF-UHFFFAOYSA-N 2 0 288.391 2.518 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(C)nc2C)CC1 ZINC000925756320 619066384 /nfs/dbraw/zinc/06/63/84/619066384.db2.gz KVUZFDGHQBCGTM-CQSZACIVSA-N 2 0 261.413 2.963 20 0 CFADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000893554534 619069052 /nfs/dbraw/zinc/06/90/52/619069052.db2.gz XDLNXHHOVPGSDZ-CABCVRRESA-N 2 0 298.471 2.674 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000925772974 619088584 /nfs/dbraw/zinc/08/85/84/619088584.db2.gz LLFIEUWPOSKUKV-LBBRXXASSA-N 2 0 273.424 2.791 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000925776876 619097747 /nfs/dbraw/zinc/09/77/47/619097747.db2.gz NDNFIUQBUCWZPE-HZPDHXFCSA-N 2 0 294.389 2.768 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2NC[C@H]1C[NH2+]CCC1(F)F ZINC000925781324 619103064 /nfs/dbraw/zinc/10/30/64/619103064.db2.gz YCVDBKHNMCIEJX-RISCZKNCSA-N 2 0 284.325 2.647 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCCCC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000094368455 619105547 /nfs/dbraw/zinc/10/55/47/619105547.db2.gz FNKCLSCKQZOZRR-CVEARBPZSA-N 2 0 292.467 2.942 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094370865 619106273 /nfs/dbraw/zinc/10/62/73/619106273.db2.gz SKLSMTIBUZQULI-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(C)ccc1OC ZINC000925783980 619108837 /nfs/dbraw/zinc/10/88/37/619108837.db2.gz HIUJZWQPUJNIDL-IJEWVQPXSA-N 2 0 276.424 2.900 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925786621 619111402 /nfs/dbraw/zinc/11/14/02/619111402.db2.gz XGCKFBDJURTEIB-QWRGUYRKSA-N 2 0 274.380 2.952 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cn1 ZINC000925801586 619121805 /nfs/dbraw/zinc/12/18/05/619121805.db2.gz BOVHWLMWGPIQTK-GRYCIOLGSA-N 2 0 267.804 2.631 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nccc2c1CCCC2 ZINC000925806889 619127075 /nfs/dbraw/zinc/12/70/75/619127075.db2.gz RYMYCHNEZTYPBP-ZDUSSCGKSA-N 2 0 261.413 2.568 20 0 CFADRP C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)CCC1CC[NH2+]CC1 ZINC000925809082 619128222 /nfs/dbraw/zinc/12/82/22/619128222.db2.gz RRJKNGRXISRTAS-KRWDZBQOSA-N 3 0 293.499 2.811 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925809777 619128646 /nfs/dbraw/zinc/12/86/46/619128646.db2.gz WNWUIYQJBUMQHR-WBVHZDCISA-N 3 0 281.488 2.619 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925811974 619130725 /nfs/dbraw/zinc/13/07/25/619130725.db2.gz LOYOSIADUTVSOR-DOTOQJQBSA-N 2 0 281.488 2.604 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925822336 619143093 /nfs/dbraw/zinc/14/30/93/619143093.db2.gz LLOJECDWZDMKGX-AQFXKWCLSA-N 3 0 291.483 2.658 20 0 CFADRP C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000925822863 619143744 /nfs/dbraw/zinc/14/37/44/619143744.db2.gz ORRXJODYZPSJPO-JGGQBBKZSA-N 2 0 259.397 2.510 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925826343 619151272 /nfs/dbraw/zinc/15/12/72/619151272.db2.gz MZVCAHWGTLKQPS-HLLBOEOZSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)[C@H]1CCCC[NH2+]1 ZINC000925827596 619157881 /nfs/dbraw/zinc/15/78/81/619157881.db2.gz AIIVDZXDQWOWAH-LOWDOPEQSA-N 2 0 294.361 2.607 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925829189 619160025 /nfs/dbraw/zinc/16/00/25/619160025.db2.gz MWTOTZJIQPQLDH-RNJOBUHISA-N 2 0 294.361 2.736 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000261590796 619173790 /nfs/dbraw/zinc/17/37/90/619173790.db2.gz LMARJORYEPIEBN-HZSPNIEDSA-N 2 0 279.453 2.770 20 0 CFADRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000925848114 619181430 /nfs/dbraw/zinc/18/14/30/619181430.db2.gz AELFWQQMSVAIOV-OAHLLOKOSA-N 2 0 293.430 2.552 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852692 619183590 /nfs/dbraw/zinc/18/35/90/619183590.db2.gz FVYPBTGPOBJVFY-CABCVRRESA-N 2 0 296.455 2.620 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1(C)C ZINC000261648749 619185774 /nfs/dbraw/zinc/18/57/74/619185774.db2.gz QTESDYVUPDILLW-ARKGTOAJSA-N 2 0 280.456 2.700 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCSC3(CCC3)C2)C12CCC2 ZINC000925861440 619187952 /nfs/dbraw/zinc/18/79/52/619187952.db2.gz PTGSEIMPFKQHEY-YNEHKIRRSA-N 2 0 266.454 2.664 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235208738 619190535 /nfs/dbraw/zinc/19/05/35/619190535.db2.gz QJJRSHQOPCRTNC-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP COC[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925872969 619193278 /nfs/dbraw/zinc/19/32/78/619193278.db2.gz CEAIQWAFEMVESA-IRXDYDNUSA-N 2 0 278.440 2.975 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925875676 619196022 /nfs/dbraw/zinc/19/60/22/619196022.db2.gz LRADIYIKOXUJPF-XLMAVXFVSA-N 3 0 293.499 2.747 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000925875823 619196470 /nfs/dbraw/zinc/19/64/70/619196470.db2.gz WPBQSQBTGUSEKX-RWMBFGLXSA-N 2 0 280.362 2.751 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925876389 619196775 /nfs/dbraw/zinc/19/67/75/619196775.db2.gz WKDFOFDMXSYHBY-KQTLUZQSSA-N 2 0 276.424 2.904 20 0 CFADRP CC[C@@H](NCc1ccc(OC)c(OC)c1C)[C@@H]1CCC[NH2+]1 ZINC000925879858 619200341 /nfs/dbraw/zinc/20/03/41/619200341.db2.gz FBXRIKDHEXHEHU-CABCVRRESA-N 2 0 292.423 2.632 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880300 619200354 /nfs/dbraw/zinc/20/03/54/619200354.db2.gz IQDLGYXHRIDQFH-SVGFKBNWSA-N 2 0 258.409 2.725 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925880857 619200888 /nfs/dbraw/zinc/20/08/88/619200888.db2.gz VKRFJIBDZRAKRL-LVQVYYBASA-N 2 0 296.455 2.606 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925880856 619201082 /nfs/dbraw/zinc/20/10/82/619201082.db2.gz VKRFJIBDZRAKRL-FZKCQIBNSA-N 2 0 296.455 2.606 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000925881102 619201511 /nfs/dbraw/zinc/20/15/11/619201511.db2.gz XOIPPOCSYKXCII-OHFALNGGSA-N 2 0 288.435 2.950 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(Cl)nc1 ZINC000843340743 619211383 /nfs/dbraw/zinc/21/13/83/619211383.db2.gz DPJPICWEBLPMJM-NSHDSACASA-N 2 0 255.793 2.905 20 0 CFADRP CCn1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000894230825 619273064 /nfs/dbraw/zinc/27/30/64/619273064.db2.gz JWTOGQXPTICXJC-UHFFFAOYSA-N 2 0 290.455 2.519 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000924948629 619297318 /nfs/dbraw/zinc/29/73/18/619297318.db2.gz IGYGLPGKJBEWFD-IKGGRYGDSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000924957635 619302635 /nfs/dbraw/zinc/30/26/35/619302635.db2.gz DGFJTSKNFKKNEX-RHSMWYFYSA-N 2 0 287.451 2.636 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000924960688 619303892 /nfs/dbraw/zinc/30/38/92/619303892.db2.gz QQVGCBTUKWRGAQ-STQMWFEESA-N 2 0 258.837 2.856 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000924961851 619305052 /nfs/dbraw/zinc/30/50/52/619305052.db2.gz ZAMUBVIMFGWCME-IRXDYDNUSA-N 2 0 276.424 2.653 20 0 CFADRP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924968490 619309919 /nfs/dbraw/zinc/30/99/19/619309919.db2.gz ZIZZXGOFEHLDIO-BBWFWOEESA-N 2 0 286.419 2.986 20 0 CFADRP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000261918557 619314599 /nfs/dbraw/zinc/31/45/99/619314599.db2.gz ZWYOSDRKFUPBMN-BBRMVZONSA-N 2 0 262.397 2.775 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925030060 619345912 /nfs/dbraw/zinc/34/59/12/619345912.db2.gz UFMMTZNESNHNNS-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000894359867 619350076 /nfs/dbraw/zinc/35/00/76/619350076.db2.gz UCJROQUUXXEKGF-DOTOQJQBSA-N 2 0 298.434 2.800 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000262012449 619370943 /nfs/dbraw/zinc/37/09/43/619370943.db2.gz VFTIXUOLRFDEBX-YOEHRIQHSA-N 2 0 298.434 2.565 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000894448480 619388420 /nfs/dbraw/zinc/38/84/20/619388420.db2.gz NOVBUFBZWXPIRY-MRXNPFEDSA-N 2 0 259.397 2.560 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000894454925 619390632 /nfs/dbraw/zinc/39/06/32/619390632.db2.gz CHGLKHLMWZGOPM-ILXRZTDVSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCO[C@@H]2CCCCO2)CC1 ZINC000894561877 619418446 /nfs/dbraw/zinc/41/84/46/619418446.db2.gz UQHPRGURBRAWBK-QGZVFWFLSA-N 2 0 298.471 2.630 20 0 CFADRP COc1nccc(C[NH2+]CCCCC[NH+]2CCCC2)c1F ZINC000894626490 619431987 /nfs/dbraw/zinc/43/19/87/619431987.db2.gz USOLWQYDPVCKCS-UHFFFAOYSA-N 2 0 295.402 2.585 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000894715618 619448172 /nfs/dbraw/zinc/44/81/72/619448172.db2.gz YKTLHLRFHJQART-NSHDSACASA-N 2 0 265.228 2.502 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)o1 ZINC000894780192 619465376 /nfs/dbraw/zinc/46/53/76/619465376.db2.gz ZINVEDOKSBFDMO-NSHDSACASA-N 2 0 277.393 2.725 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(Cl)cn1 ZINC000894782820 619466044 /nfs/dbraw/zinc/46/60/44/619466044.db2.gz NFZKMRTZUVTHMA-FZMZJTMJSA-N 2 0 267.804 2.507 20 0 CFADRP CCC[C@@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[NH2+]1 ZINC000895058616 619538025 /nfs/dbraw/zinc/53/80/25/619538025.db2.gz NFIBREPOJYHQRT-SNVBAGLBSA-N 2 0 273.302 2.679 20 0 CFADRP COc1ccccc1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000895669831 619582338 /nfs/dbraw/zinc/58/23/38/619582338.db2.gz CRVNOUBCLZZNGI-UHFFFAOYSA-N 2 0 274.408 2.755 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CC2CCSCC2)CC1 ZINC000895672792 619583427 /nfs/dbraw/zinc/58/34/27/619583427.db2.gz YRTWXZCHQDVGPI-UHFFFAOYSA-N 2 0 268.470 2.690 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cnn2c1CCC2 ZINC000895683126 619585727 /nfs/dbraw/zinc/58/57/27/619585727.db2.gz IFKCFYKJNDFJBX-UHFFFAOYSA-N 2 0 290.455 2.527 20 0 CFADRP COCCCC1(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCC1 ZINC000895846202 619621203 /nfs/dbraw/zinc/62/12/03/619621203.db2.gz ZSEVYNCIYDEJSZ-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC(C[NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000054239509 619850976 /nfs/dbraw/zinc/85/09/76/619850976.db2.gz YFFUSYVJCCHKRE-UHFFFAOYSA-N 2 0 262.441 2.887 20 0 CFADRP COc1ccc(F)cc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242037 619860232 /nfs/dbraw/zinc/86/02/32/619860232.db2.gz UGYCQFXULXYTDT-GFCCVEGCSA-N 2 0 280.387 2.827 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@H]2OCCc3ccccc32)CC1 ZINC000897232299 619954306 /nfs/dbraw/zinc/95/43/06/619954306.db2.gz PZBGVWUFNUDFGZ-GOSISDBHSA-N 2 0 288.435 2.622 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CCC=CCC2)CC1 ZINC000897244918 619958372 /nfs/dbraw/zinc/95/83/72/619958372.db2.gz SFCGXKFFXUNCOG-UHFFFAOYSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144079 619968157 /nfs/dbraw/zinc/96/81/57/619968157.db2.gz SSUNPJVGMCWNQG-VKJFTORMSA-N 2 0 289.467 2.882 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144078 619968230 /nfs/dbraw/zinc/96/82/30/619968230.db2.gz SSUNPJVGMCWNQG-RVKKMQEKSA-N 2 0 289.467 2.882 20 0 CFADRP Cc1csc(C[C@H]2CC[N@@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC000897301730 619973565 /nfs/dbraw/zinc/97/35/65/619973565.db2.gz SFKOBZUFSQPUHI-OAHLLOKOSA-N 2 0 293.480 2.658 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000925153368 619985102 /nfs/dbraw/zinc/98/51/02/619985102.db2.gz XRZKLBYKYDWUQN-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(C[NH+](C)C)c1 ZINC000925210764 620024767 /nfs/dbraw/zinc/02/47/67/620024767.db2.gz GVDINCGTKZCZTG-CQSZACIVSA-N 2 0 271.408 2.938 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000925220095 620031500 /nfs/dbraw/zinc/03/15/00/620031500.db2.gz HYICGGRSIRPZHR-KLHDSHLOSA-N 2 0 270.461 2.779 20 0 CFADRP CC[C@H](CCO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925243207 620064862 /nfs/dbraw/zinc/06/48/62/620064862.db2.gz FBCJWNUGAZPGLC-HUUCEWRRSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872154712 620091965 /nfs/dbraw/zinc/09/19/65/620091965.db2.gz WWMXVFMHSDXSKZ-QWHCGFSZSA-N 2 0 296.377 2.937 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CCOCC2)CC[N@@H+]1C ZINC000897445469 620173613 /nfs/dbraw/zinc/17/36/13/620173613.db2.gz IIFNCRPKJQJLFW-UKRRQHHQSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(C3(O)CCC3)CC2)CC1 ZINC000897529297 620216993 /nfs/dbraw/zinc/21/69/93/620216993.db2.gz ZQMNTRKWOFDZFB-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C(C)(C)[C@@H]2CCCCO2)CC1(C)C ZINC000865744548 620257580 /nfs/dbraw/zinc/25/75/80/620257580.db2.gz ZFIMIDTVEKVAOR-KGLIPLIRSA-N 2 0 268.445 2.797 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000841032336 620259370 /nfs/dbraw/zinc/25/93/70/620259370.db2.gz RQUUCPMJMRPJGH-UHFFFAOYSA-N 2 0 294.320 2.895 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC000897621849 620261060 /nfs/dbraw/zinc/26/10/60/620261060.db2.gz WRCOMDJVENZRSV-MLHJIOFPSA-N 2 0 270.420 2.674 20 0 CFADRP Cc1ccc([C@@H](C)C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000897620540 620262463 /nfs/dbraw/zinc/26/24/63/620262463.db2.gz SOQHGJOTOZTQOV-RYQLBKOJSA-N 2 0 272.436 2.982 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSC(C)(C)C2)CCN1C ZINC000897794394 620285820 /nfs/dbraw/zinc/28/58/20/620285820.db2.gz UPNWODGXYMVMTR-JHJVBQTASA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898010993 620316897 /nfs/dbraw/zinc/31/68/97/620316897.db2.gz LMMNVWWOCIANSY-HRSCSKTISA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@]1(C[NH+]2CCC([NH2+]C3CCC3)CC2)CCCS1 ZINC000897983155 620318478 /nfs/dbraw/zinc/31/84/78/620318478.db2.gz ZVDDSAXROHXCAR-HNNXBMFYSA-N 2 0 268.470 2.879 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CCC(F)(F)C2)CC1 ZINC000898015394 620323320 /nfs/dbraw/zinc/32/33/20/620323320.db2.gz XNXLTXUERAJORZ-GFCCVEGCSA-N 2 0 260.372 2.743 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCCC1 ZINC000898262005 620360116 /nfs/dbraw/zinc/36/01/16/620360116.db2.gz WMAAALVIVBPJDV-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+](C)CC(C)(C)C[N@H+](C)CC1CCSCC1 ZINC000898306473 620369501 /nfs/dbraw/zinc/36/95/01/620369501.db2.gz JXXXCEXXNPBVAA-UHFFFAOYSA-N 2 0 258.475 2.649 20 0 CFADRP COC1CCC(C[N@H+](C)CC(C)(C)C[NH+](C)C)CC1 ZINC000898307121 620369819 /nfs/dbraw/zinc/36/98/19/620369819.db2.gz SKNLIPZWQJXKBF-UHFFFAOYSA-N 2 0 270.461 2.711 20 0 CFADRP CC(=O)Nc1ccc(CN(C)CC(C)(C)C[NH+](C)C)cc1 ZINC000898309964 620370727 /nfs/dbraw/zinc/37/07/27/620370727.db2.gz QLQCBYRDUMWDOR-UHFFFAOYSA-N 2 0 291.439 2.665 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccncc2)C2CC2)CC1(C)C ZINC000898317578 620372114 /nfs/dbraw/zinc/37/21/14/620372114.db2.gz JKPBVHXOSRDBIS-HZPDHXFCSA-N 2 0 273.424 2.995 20 0 CFADRP CO[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000322360202 620376959 /nfs/dbraw/zinc/37/69/59/620376959.db2.gz BEEIWGQDMOTUDG-HQSKLWIPSA-N 2 0 288.435 2.763 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000926913037 620419510 /nfs/dbraw/zinc/41/95/10/620419510.db2.gz BQULREBDNZRMRV-CHWSQXEVSA-N 2 0 294.361 2.560 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](C)CCCCCC[NH3+])CCO1 ZINC000873231767 620437714 /nfs/dbraw/zinc/43/77/14/620437714.db2.gz VEBLHNJZJIXYIU-LSDHHAIUSA-N 2 0 256.434 2.643 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000924689383 620441272 /nfs/dbraw/zinc/44/12/72/620441272.db2.gz XAWCUCDOFUMEFS-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000927030762 620442886 /nfs/dbraw/zinc/44/28/86/620442886.db2.gz KMJDGOHRGOENSP-DYEKYZERSA-N 2 0 256.459 2.590 20 0 CFADRP COCCC[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037254 620444891 /nfs/dbraw/zinc/44/48/91/620444891.db2.gz IQLWUIYBUIGIEO-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H]2CCO[C@@H]21 ZINC000927040271 620445268 /nfs/dbraw/zinc/44/52/68/620445268.db2.gz ZVUFXXUWIQCRSG-YLADIXGZSA-N 2 0 292.467 2.797 20 0 CFADRP COC(=O)C1(CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCC1 ZINC000898408488 620460787 /nfs/dbraw/zinc/46/07/87/620460787.db2.gz RFSGLYCKMPTVTG-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000924736388 620484839 /nfs/dbraw/zinc/48/48/39/620484839.db2.gz XLLLRWZXPONELK-RCCFBDPRSA-N 2 0 288.435 2.635 20 0 CFADRP COc1ccc(-c2csc(C[NH3+])c2)c(C[NH+](C)C)c1 ZINC000899323762 620543635 /nfs/dbraw/zinc/54/36/35/620543635.db2.gz ICVPJFGAEYTFTJ-UHFFFAOYSA-N 2 0 276.405 2.944 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)cc1F ZINC000899325322 620545747 /nfs/dbraw/zinc/54/57/47/620545747.db2.gz UFGIPURINNOXIZ-KRWDZBQOSA-N 2 0 284.378 2.980 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2NCC)C1 ZINC000902092958 620977246 /nfs/dbraw/zinc/97/72/46/620977246.db2.gz NFXDDOZZCOGBOI-OAHLLOKOSA-N 2 0 275.440 2.940 20 0 CFADRP CCNc1ccccc1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000902194975 620996116 /nfs/dbraw/zinc/99/61/16/620996116.db2.gz JHMJFGXRNSEYCY-UHFFFAOYSA-N 2 0 275.440 2.940 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCOc2ccccc2F)C1 ZINC000902340595 621032468 /nfs/dbraw/zinc/03/24/68/621032468.db2.gz XZPJLXFMFOFHEL-CQSZACIVSA-N 2 0 294.414 2.962 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902344937 621033666 /nfs/dbraw/zinc/03/36/66/621033666.db2.gz HAGOIDHTSWKRDL-QGZVFWFLSA-N 3 0 295.515 2.866 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902346890 621034294 /nfs/dbraw/zinc/03/42/94/621034294.db2.gz MCAWKGHWSFKAGK-LBPRGKRZSA-N 2 0 281.469 2.616 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902322077 621035653 /nfs/dbraw/zinc/03/56/53/621035653.db2.gz YNSKRQVEADOUHW-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000902329475 621037690 /nfs/dbraw/zinc/03/76/90/621037690.db2.gz LOMMXFMQICRMKF-GFCCVEGCSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902328357 621037878 /nfs/dbraw/zinc/03/78/78/621037878.db2.gz HGKBPQYCWIATBJ-XJKSGUPXSA-N 2 0 276.424 2.608 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902368789 621043470 /nfs/dbraw/zinc/04/34/70/621043470.db2.gz GUDZTBYTULHNKU-CYBMUJFWSA-N 2 0 258.475 2.743 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902376223 621046225 /nfs/dbraw/zinc/04/62/25/621046225.db2.gz ZWDVROXWKNUJKM-HWOWSKLDSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902375224 621046257 /nfs/dbraw/zinc/04/62/57/621046257.db2.gz UJXFKWANBZQKLL-WCQYABFASA-N 2 0 281.469 2.923 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCCO1 ZINC000902352774 621048819 /nfs/dbraw/zinc/04/88/19/621048819.db2.gz UBAFEVFBICXMQO-LSDHHAIUSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(CCO)CCCCC2)C1 ZINC000902359276 621052516 /nfs/dbraw/zinc/05/25/16/621052516.db2.gz FPELSFOLELHXSH-HNNXBMFYSA-N 2 0 282.472 2.687 20 0 CFADRP [NH3+]CCCC[C@@H]([NH2+]CC1(O)CCC1)c1ccc(F)cc1F ZINC000902361848 621052772 /nfs/dbraw/zinc/05/27/72/621052772.db2.gz UPEFMQRONOJZLB-OAHLLOKOSA-N 2 0 298.377 2.640 20 0 CFADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361813 621052882 /nfs/dbraw/zinc/05/28/82/621052882.db2.gz SYVSZPCSWFQJSJ-MGPQQGTHSA-N 2 0 296.480 2.928 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000902361859 621053337 /nfs/dbraw/zinc/05/33/37/621053337.db2.gz MQGPBLSPFUCLLK-RYUDHWBXSA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+]CCCC[C@H]([NH2+][C@H]1CCOC1)c1ccc(F)cc1F ZINC000902363048 621053762 /nfs/dbraw/zinc/05/37/62/621053762.db2.gz TULPKMRSQMIQMP-WFASDCNBSA-N 2 0 284.350 2.513 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365290 621054484 /nfs/dbraw/zinc/05/44/84/621054484.db2.gz YLLHQUFTBHDRFG-SMDDNHRTSA-N 2 0 279.428 2.763 20 0 CFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000902407812 621056413 /nfs/dbraw/zinc/05/64/13/621056413.db2.gz VFKGAJBISUVNCF-KZNAEPCWSA-N 2 0 299.462 2.511 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000902383843 621059560 /nfs/dbraw/zinc/05/95/60/621059560.db2.gz GAKNBRJJVCHOQU-FZKCQIBNSA-N 2 0 282.472 2.948 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000902384387 621059633 /nfs/dbraw/zinc/05/96/33/621059633.db2.gz KTNTUNLTVITKEJ-SNVBAGLBSA-N 2 0 264.335 2.697 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000902385844 621060173 /nfs/dbraw/zinc/06/01/73/621060173.db2.gz BODXKIOHOLBTDF-HNNXBMFYSA-N 2 0 261.413 2.566 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)C1 ZINC000902385820 621060226 /nfs/dbraw/zinc/06/02/26/621060226.db2.gz AOXVJGQKEJPKJD-CVEARBPZSA-N 2 0 282.472 2.543 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386290 621060298 /nfs/dbraw/zinc/06/02/98/621060298.db2.gz FFCOMORDWDRDRN-HNNXBMFYSA-N 2 0 275.440 2.690 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390485 621062172 /nfs/dbraw/zinc/06/21/72/621062172.db2.gz MPDKJXGNBQTZDJ-RRFJBIMHSA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000902390103 621062231 /nfs/dbraw/zinc/06/22/31/621062231.db2.gz HCNJKNFRKXHOJC-LBPRGKRZSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000902392316 621062922 /nfs/dbraw/zinc/06/29/22/621062922.db2.gz GZMVKOMQQAPFAY-KKUMJFAQSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccn1 ZINC000902393482 621063527 /nfs/dbraw/zinc/06/35/27/621063527.db2.gz SAJYPWIBLHHCBZ-ZIAGYGMSSA-N 2 0 261.413 2.553 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000902394731 621064329 /nfs/dbraw/zinc/06/43/29/621064329.db2.gz BOPOLPARRHRMEE-CYBMUJFWSA-N 2 0 250.386 2.580 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC000902398855 621066304 /nfs/dbraw/zinc/06/63/04/621066304.db2.gz KGRHTUFJKWKEME-QWRGUYRKSA-N 2 0 279.255 2.938 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000902400373 621067619 /nfs/dbraw/zinc/06/76/19/621067619.db2.gz RAUFOXSEAZAEJT-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402477 621068009 /nfs/dbraw/zinc/06/80/09/621068009.db2.gz LUQZMHDOZIWSKW-HNNXBMFYSA-N 2 0 294.414 2.745 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000902403274 621068599 /nfs/dbraw/zinc/06/85/99/621068599.db2.gz QXEOYGYFMQXJRG-CABCVRRESA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc2c(c1)CCO2 ZINC000902403425 621068818 /nfs/dbraw/zinc/06/88/18/621068818.db2.gz GUUBTUDKAZVULR-LYRGGWFBSA-N 2 0 272.392 2.542 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902403997 621069502 /nfs/dbraw/zinc/06/95/02/621069502.db2.gz HDNYFRPYZQQYTO-CKDBGZEDSA-N 3 0 281.488 2.617 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000902429364 621076111 /nfs/dbraw/zinc/07/61/11/621076111.db2.gz JWXYYKAGWKTUPC-KKUMJFAQSA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902429398 621076812 /nfs/dbraw/zinc/07/68/12/621076812.db2.gz KLCPQPQVMJDFDD-LVQVYYBASA-N 2 0 294.483 2.948 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902432160 621077834 /nfs/dbraw/zinc/07/78/34/621077834.db2.gz VNKFNYJRIMNWCL-TWMKSMIVSA-N 2 0 282.472 2.828 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000902442214 621081674 /nfs/dbraw/zinc/08/16/74/621081674.db2.gz ACQRZANQIKDRCZ-KZWUZSNJSA-N 2 0 268.470 2.909 20 0 CFADRP [NH3+]CCC[C@H](NC[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902477760 621087958 /nfs/dbraw/zinc/08/79/58/621087958.db2.gz RORMPQJUPXFFGD-IRXDYDNUSA-N 2 0 275.440 2.588 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000902452744 621092553 /nfs/dbraw/zinc/09/25/53/621092553.db2.gz AIAOEULTFMVKFU-MWLCHTKSSA-N 2 0 276.409 2.717 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2nonc2c1 ZINC000902452770 621092747 /nfs/dbraw/zinc/09/27/47/621092747.db2.gz ANYYUNCGEHFIOQ-OCCSQVGLSA-N 2 0 288.395 2.623 20 0 CFADRP FC1(F)CC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000902453417 621093153 /nfs/dbraw/zinc/09/31/53/621093153.db2.gz CPANNPZOCPTMBW-ZOBORPQBSA-N 2 0 272.383 2.790 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902454113 621093567 /nfs/dbraw/zinc/09/35/67/621093567.db2.gz FVJYHIHITITZPP-CHWSQXEVSA-N 2 0 260.372 2.919 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000902455690 621094019 /nfs/dbraw/zinc/09/40/19/621094019.db2.gz YBHTXGCEXAUBQM-DAAZQVBGSA-N 2 0 254.443 2.533 20 0 CFADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000902455533 621094283 /nfs/dbraw/zinc/09/42/83/621094283.db2.gz KTMWFKAGZVJIMM-IXDOHACOSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000902456454 621094426 /nfs/dbraw/zinc/09/44/26/621094426.db2.gz PAFLWLDAFDPKDI-LLVKDONJSA-N 2 0 253.390 2.579 20 0 CFADRP FC1(F)CCC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000902457988 621094959 /nfs/dbraw/zinc/09/49/59/621094959.db2.gz WFPXTRMHXLCAOY-XPABHHOTSA-N 2 0 284.394 2.788 20 0 CFADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471356 621101721 /nfs/dbraw/zinc/10/17/21/621101721.db2.gz NTZBOFLVDXQZIL-DISONHOPSA-N 2 0 270.420 2.880 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnc2ccsc2c1 ZINC000902491723 621103093 /nfs/dbraw/zinc/10/30/93/621103093.db2.gz YZVAZFXNHPZOCG-NHCYSSNCSA-N 2 0 261.394 2.684 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486145 621111530 /nfs/dbraw/zinc/11/15/30/621111530.db2.gz QFDYUSBVLIMRRH-MPKXVKKWSA-N 2 0 286.341 2.963 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000902485587 621111558 /nfs/dbraw/zinc/11/15/58/621111558.db2.gz AZKITYZBMWIMFR-BRWVUGGUSA-N 2 0 260.425 2.889 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485651 621111657 /nfs/dbraw/zinc/11/16/57/621111657.db2.gz MDPLAPZMDZCFHW-NQBHXWOUSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc2c(s1)CCC2 ZINC000902486001 621111717 /nfs/dbraw/zinc/11/17/17/621111717.db2.gz DTUXAJKJPPBOND-NHCYSSNCSA-N 2 0 250.411 2.625 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486995 621112041 /nfs/dbraw/zinc/11/20/41/621112041.db2.gz IMUYHXRPBPQPNY-MPKXVKKWSA-N 2 0 286.341 2.963 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902486971 621112050 /nfs/dbraw/zinc/11/20/50/621112050.db2.gz FXNANKQAXPQHAO-UMVBOHGHSA-N 2 0 262.397 2.862 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000902487299 621112665 /nfs/dbraw/zinc/11/26/65/621112665.db2.gz SOTOKDHYJNXGQK-QBPKDAKJSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOc1cccc(F)c1 ZINC000902516088 621115270 /nfs/dbraw/zinc/11/52/70/621115270.db2.gz BCDKDWIKWZMGAE-ZDUSSCGKSA-N 2 0 268.376 2.702 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000902517407 621115763 /nfs/dbraw/zinc/11/57/63/621115763.db2.gz LRRNHTYGAZBRKP-RLCCDNCMSA-N 2 0 278.827 2.785 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCOc2cccc(F)c2)C1 ZINC000902517431 621115827 /nfs/dbraw/zinc/11/58/27/621115827.db2.gz MJGASEQWZXLWFB-HNNXBMFYSA-N 2 0 294.414 2.962 20 0 CFADRP CNc1ccccc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000902570977 621127478 /nfs/dbraw/zinc/12/74/78/621127478.db2.gz AAEFUEPJSYRQMS-UHFFFAOYSA-N 2 0 293.480 2.645 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841073651 621139644 /nfs/dbraw/zinc/13/96/44/621139644.db2.gz VMJCHUFGNRAMCU-AWEZNQCLSA-N 2 0 282.815 2.970 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902724960 621158299 /nfs/dbraw/zinc/15/82/99/621158299.db2.gz MRSNFENPERIJQV-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]CCn1ccnc1)c1ccc(C(F)(F)F)cn1 ZINC000902724723 621158497 /nfs/dbraw/zinc/15/84/97/621158497.db2.gz HDKBVVYIUVXEJH-SNVBAGLBSA-N 2 0 284.285 2.648 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902736555 621161813 /nfs/dbraw/zinc/16/18/13/621161813.db2.gz VFHDURILCJPKAC-NVXWUHKLSA-N 2 0 290.451 2.946 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCOCC1 ZINC000902742396 621163161 /nfs/dbraw/zinc/16/31/61/621163161.db2.gz OYSDAUNYXSURJM-YJBOKZPZSA-N 2 0 294.483 2.902 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902745611 621163586 /nfs/dbraw/zinc/16/35/86/621163586.db2.gz RNEPQINGVWVZJX-BCDXTJNWSA-N 2 0 293.499 2.572 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902785168 621168223 /nfs/dbraw/zinc/16/82/23/621168223.db2.gz AYBASKYWCKYQRR-SCAQPMJSSA-N 2 0 280.456 2.656 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902779664 621171615 /nfs/dbraw/zinc/17/16/15/621171615.db2.gz YWBIMVUUZVJFIF-NNPSNHGLSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCCC[NH+](C)C)C1CCOCC1 ZINC000902780810 621172090 /nfs/dbraw/zinc/17/20/90/621172090.db2.gz TWSIFGDQBUKAEX-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1COc2ccccc2C1 ZINC000902797386 621179897 /nfs/dbraw/zinc/17/98/97/621179897.db2.gz USLCMLMHXLEPED-ZMSDIMECSA-N 2 0 288.435 2.558 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902897573 621196889 /nfs/dbraw/zinc/19/68/89/621196889.db2.gz UFAUBCFKINBXAS-QZTJIDSGSA-N 2 0 292.467 2.823 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000902975278 621221477 /nfs/dbraw/zinc/22/14/77/621221477.db2.gz DZVXEEUCBSKWTM-NVXWUHKLSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)COCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903058140 621236448 /nfs/dbraw/zinc/23/64/48/621236448.db2.gz GHSJINNSBFVYEK-ZXFUBFMLSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903067960 621239897 /nfs/dbraw/zinc/23/98/97/621239897.db2.gz YXTHUCNHEYRCAE-LQDVMPOASA-N 2 0 291.464 2.741 20 0 CFADRP CC(C)CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903083268 621246426 /nfs/dbraw/zinc/24/64/26/621246426.db2.gz CRZUFKFGGHOAFO-ZXFUBFMLSA-N 2 0 280.456 2.797 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCSCC1 ZINC000903098246 621251535 /nfs/dbraw/zinc/25/15/35/621251535.db2.gz ZCMKIDHPYBJUSJ-VHRNVKJDSA-N 2 0 280.481 2.877 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CSCCS1 ZINC000903108751 621256038 /nfs/dbraw/zinc/25/60/38/621256038.db2.gz BJBDADYDORTJOI-CHEQUFIKSA-N 2 0 298.521 2.582 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[C@H](C)C1 ZINC000903097629 621259471 /nfs/dbraw/zinc/25/94/71/621259471.db2.gz HETOZXDAUFCGSV-ZBRFXRBCSA-N 2 0 294.483 2.902 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903130984 621263926 /nfs/dbraw/zinc/26/39/26/621263926.db2.gz GLWPGUUCYKTNAD-UIEMGDCHSA-N 2 0 292.467 2.793 20 0 CFADRP CCOC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903158107 621270470 /nfs/dbraw/zinc/27/04/70/621270470.db2.gz RAZAHCYIQRHUKV-YQAQFAQXSA-N 2 0 280.456 2.795 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)[C@@H](C)C1 ZINC000903162374 621271711 /nfs/dbraw/zinc/27/17/11/621271711.db2.gz DOZOYVMXVUIUTI-YHUYYLMFSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1(C)C ZINC000903165922 621272558 /nfs/dbraw/zinc/27/25/58/621272558.db2.gz YNSXTHXTPXYHPF-LJISPDSOSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903149056 621272824 /nfs/dbraw/zinc/27/28/24/621272824.db2.gz ZYRNJKHPEQDQPH-LSLVUIDQSA-N 2 0 292.467 2.939 20 0 CFADRP C(CC[NH2+][C@@H]1CCOC12CCCC2)CC[NH+]1CCCC1 ZINC000903177947 621275622 /nfs/dbraw/zinc/27/56/22/621275622.db2.gz SKCJQCOIIIYZJP-MRXNPFEDSA-N 2 0 280.456 2.944 20 0 CFADRP C(COCC1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903182576 621277520 /nfs/dbraw/zinc/27/75/20/621277520.db2.gz DZGHEUVTOVDEFX-ZNXRZULTSA-N 2 0 292.467 2.941 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903185727 621278868 /nfs/dbraw/zinc/27/88/68/621278868.db2.gz LHZWDEDHZMEKTG-KPVZCZOYSA-N 2 0 292.467 2.937 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000903194050 621280849 /nfs/dbraw/zinc/28/08/49/621280849.db2.gz YDZOXUXGNKTKNW-ZWKOTPCHSA-N 2 0 295.430 2.994 20 0 CFADRP CC[C@@H](C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903194042 621281007 /nfs/dbraw/zinc/28/10/07/621281007.db2.gz IYTPMLTWQIDEKP-OVRVWTIXSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@H]1SCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195145 621281264 /nfs/dbraw/zinc/28/12/64/621281264.db2.gz VLQMUNLXASSDBI-CBTVIJGOSA-N 2 0 266.454 2.628 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)O1 ZINC000903200422 621283230 /nfs/dbraw/zinc/28/32/30/621283230.db2.gz PESKDLBPSCUZMI-SMMMKCNCSA-N 2 0 278.440 2.691 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903207972 621288192 /nfs/dbraw/zinc/28/81/92/621288192.db2.gz XJRPSNHBDGEWCN-ZBSSRIJBSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903208111 621288582 /nfs/dbraw/zinc/28/85/82/621288582.db2.gz ZOXTWVGDCQFMCF-YPWHRUFPSA-N 2 0 278.440 2.546 20 0 CFADRP CC1(C)CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)OC1 ZINC000903216432 621290567 /nfs/dbraw/zinc/29/05/67/621290567.db2.gz AMENQWKYYSQGDK-CVGRLMLNSA-N 2 0 292.467 2.939 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000903252126 621299368 /nfs/dbraw/zinc/29/93/68/621299368.db2.gz APCOJDFESFOCHY-UCIFAOBLSA-N 2 0 294.483 2.758 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000903252861 621299577 /nfs/dbraw/zinc/29/95/77/621299577.db2.gz NYFPHOWGTCVJBX-LLPGRJKPSA-N 2 0 290.451 2.691 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C1CC[NH+](C)CC1 ZINC000903246666 621305469 /nfs/dbraw/zinc/30/54/69/621305469.db2.gz QRONGMKTWYOQES-GOEBONIOSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000903306680 621325326 /nfs/dbraw/zinc/32/53/26/621325326.db2.gz AMAWXVGSKASUHX-ALOPSCKCSA-N 2 0 288.435 2.511 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(CO)cc2C)[C@H](C)C1 ZINC000903309621 621327441 /nfs/dbraw/zinc/32/74/41/621327441.db2.gz WFLITAOXOQMVLH-QAPCUYQASA-N 2 0 290.451 2.616 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000903341952 621335475 /nfs/dbraw/zinc/33/54/75/621335475.db2.gz VTCWDOFOZVZZIJ-HABKJSAYSA-N 2 0 272.383 2.742 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCOC13CCCC3)C2 ZINC000903391325 621350413 /nfs/dbraw/zinc/35/04/13/621350413.db2.gz ZSEQWZBXDYQUFJ-CVGRLMLNSA-N 2 0 290.451 2.836 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccnc1 ZINC000903380912 621355708 /nfs/dbraw/zinc/35/57/08/621355708.db2.gz PRJMSBOZQPECPA-MRXNPFEDSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903408222 621363468 /nfs/dbraw/zinc/36/34/68/621363468.db2.gz RHCHNRITXLDQNJ-GUYCJALGSA-N 2 0 276.424 2.560 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)C1 ZINC000903425968 621370196 /nfs/dbraw/zinc/37/01/96/621370196.db2.gz CMGVWAWWXDKRLF-ZNMIVQPWSA-N 2 0 294.464 2.857 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2ccccc2F)C2CC2)C1 ZINC000903427310 621370686 /nfs/dbraw/zinc/37/06/86/621370686.db2.gz VRFMHAISBJPZNY-GXTWGEPZSA-N 2 0 262.372 2.918 20 0 CFADRP COCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1ccccc1 ZINC000903430868 621371827 /nfs/dbraw/zinc/37/18/27/621371827.db2.gz FWBTZYSAZMBDDI-INMHGKMJSA-N 2 0 276.424 2.823 20 0 CFADRP COc1cccc(C2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903434799 621373431 /nfs/dbraw/zinc/37/34/31/621373431.db2.gz JNWPRSNCFTYXIO-PBHICJAKSA-N 2 0 288.435 2.730 20 0 CFADRP C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435769 621373524 /nfs/dbraw/zinc/37/35/24/621373524.db2.gz ZBEIAEXUNCEQJV-HDEZJCGLSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000903437152 621374838 /nfs/dbraw/zinc/37/48/38/621374838.db2.gz GGUCVKNPWDQIOR-IMJJTQAJSA-N 2 0 276.449 2.904 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000903439693 621376668 /nfs/dbraw/zinc/37/66/68/621376668.db2.gz HTFMTWHCPKTUFL-SAGYGOJTSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440162 621377537 /nfs/dbraw/zinc/37/75/37/621377537.db2.gz VELLCTUAVWJZCT-TXCZRRACSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000903458558 621379771 /nfs/dbraw/zinc/37/97/71/621379771.db2.gz DDWBNGPESZCCKQ-MXSMSXNCSA-N 2 0 288.435 2.599 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461843 621382115 /nfs/dbraw/zinc/38/21/15/621382115.db2.gz YUYANJCTWPBFOX-IHRRRGAJSA-N 2 0 290.398 2.640 20 0 CFADRP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000903444037 621383363 /nfs/dbraw/zinc/38/33/63/621383363.db2.gz NWMRVSQLBRJPCJ-RTXFEEFZSA-N 2 0 267.442 2.880 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000903444687 621383509 /nfs/dbraw/zinc/38/35/09/621383509.db2.gz URGUVLLQKIAENH-SOLBZPMBSA-N 2 0 287.451 2.715 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2(c3nccs3)CCCC2)C1 ZINC000903446257 621384295 /nfs/dbraw/zinc/38/42/95/621384295.db2.gz VBOVTJQGGQTOHN-NWDGAFQWSA-N 2 0 265.426 2.629 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903447255 621385110 /nfs/dbraw/zinc/38/51/10/621385110.db2.gz LHSVUXRYXRQJTG-BTTYYORXSA-N 2 0 272.383 2.599 20 0 CFADRP c1cc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2[nH]1 ZINC000903453126 621387249 /nfs/dbraw/zinc/38/72/49/621387249.db2.gz ZYEJLKNPLWOQGO-KRWDZBQOSA-N 2 0 269.392 2.743 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)C[C@@H]21 ZINC000903453655 621387642 /nfs/dbraw/zinc/38/76/42/621387642.db2.gz HAHAKBMVWWZXBE-UVPYHEFZSA-N 2 0 298.421 2.989 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000903452487 621387684 /nfs/dbraw/zinc/38/76/84/621387684.db2.gz NGTWGSSGYVKEDX-HNNXBMFYSA-N 2 0 264.438 2.969 20 0 CFADRP C[C@@H](c1ccsc1)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903456744 621388451 /nfs/dbraw/zinc/38/84/51/621388451.db2.gz KJZYLSTXUWQKIX-LZWOXQAQSA-N 2 0 293.480 2.554 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000903479045 621391277 /nfs/dbraw/zinc/39/12/77/621391277.db2.gz RAGDHGAIEIXAPR-LESCRADOSA-N 2 0 270.420 2.704 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)C[C@@H]21 ZINC000903481392 621391580 /nfs/dbraw/zinc/39/15/80/621391580.db2.gz ANNKQCCPWIRVDL-FVCCEPFGSA-N 2 0 270.367 2.542 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1ccccc1 ZINC000903481846 621391991 /nfs/dbraw/zinc/39/19/91/621391991.db2.gz OEBQXIOLDFWWFW-JHNDHUHGSA-N 2 0 258.409 2.925 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903482499 621392364 /nfs/dbraw/zinc/39/23/64/621392364.db2.gz JOEHQJZXXZDITH-SJORKVTESA-N 3 0 293.499 2.844 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c2ccccc2n1 ZINC000903500342 621394146 /nfs/dbraw/zinc/39/41/46/621394146.db2.gz XOWFMXZDHWDBKG-UKRRQHHQSA-N 2 0 283.419 2.960 20 0 CFADRP CCC(C)(C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506033 621394324 /nfs/dbraw/zinc/39/43/24/621394324.db2.gz MUPDBKCXOBLOTF-CALCHBBNSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@H]1CC[NH3+] ZINC000903496647 621394798 /nfs/dbraw/zinc/39/47/98/621394798.db2.gz WTSWWNSBAUJLPA-DGCLKSJQSA-N 2 0 284.350 2.705 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000903496898 621394943 /nfs/dbraw/zinc/39/49/43/621394943.db2.gz JCFSFKHCPKKVJM-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP c1csc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903565837 621396468 /nfs/dbraw/zinc/39/64/68/621396468.db2.gz SQDBXZJGVJTFNG-CABCVRRESA-N 2 0 293.480 2.787 20 0 CFADRP Fc1cccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000903570191 621397586 /nfs/dbraw/zinc/39/75/86/621397586.db2.gz UXAFSYOGXRMWQA-CQSZACIVSA-N 2 0 262.372 2.790 20 0 CFADRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717443 621424641 /nfs/dbraw/zinc/42/46/41/621424641.db2.gz ALIGXFWTJAUBPC-KRWDZBQOSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903716716 621424643 /nfs/dbraw/zinc/42/46/43/621424643.db2.gz QIRUWJWGQPZXBX-UHTWSYAYSA-N 2 0 294.361 2.546 20 0 CFADRP CC(C)CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722118 621425987 /nfs/dbraw/zinc/42/59/87/621425987.db2.gz HGAVFKDWDYPZGH-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP CC1CCC([N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)CC1 ZINC000903721512 621426374 /nfs/dbraw/zinc/42/63/74/621426374.db2.gz BMPFIESOTCCTEE-UQVLAFNGSA-N 2 0 292.467 2.798 20 0 CFADRP Cc1cc([C@H]2CCCN2C[C@H]2CCCC[NH2+]C2)on1 ZINC000903723636 621426573 /nfs/dbraw/zinc/42/65/73/621426573.db2.gz XHVXFBIWUPNIKY-UONOGXRCSA-N 2 0 263.385 2.510 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000903723006 621426887 /nfs/dbraw/zinc/42/68/87/621426887.db2.gz RWVKEXYCTFVKGX-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP C[N@H+](CCCc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903724869 621427560 /nfs/dbraw/zinc/42/75/60/621427560.db2.gz RIEKURWKLAHGJG-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC2(CCCCC2)CC1 ZINC000903727568 621428633 /nfs/dbraw/zinc/42/86/33/621428633.db2.gz VGFSGQAPVKCMOQ-WMZOPIPTSA-N 2 0 292.467 2.801 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729006 621428833 /nfs/dbraw/zinc/42/88/33/621428833.db2.gz JCYXZFPSEDXUKA-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP c1cncc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903752671 621432959 /nfs/dbraw/zinc/43/29/59/621432959.db2.gz PEKXKQWSTXHZRG-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753311 621433292 /nfs/dbraw/zinc/43/32/92/621433292.db2.gz TWNOEDXMYLIQJT-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733910 621433654 /nfs/dbraw/zinc/43/36/54/621433654.db2.gz SGYRMUYEZPHNKL-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734678 621433707 /nfs/dbraw/zinc/43/37/07/621433707.db2.gz UVUJYDZGVQVLQT-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP c1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)nc1 ZINC000903736149 621434319 /nfs/dbraw/zinc/43/43/19/621434319.db2.gz HCQKBALALVILGF-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCC[NH2+]C2)C1(C)C ZINC000903735374 621434572 /nfs/dbraw/zinc/43/45/72/621434572.db2.gz ZEYULXADPYTAJG-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1C ZINC000903760774 621436070 /nfs/dbraw/zinc/43/60/70/621436070.db2.gz YKLQQRFVBPQAOP-XYJFISCASA-N 2 0 288.435 2.723 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]C2)c1 ZINC000903762664 621436188 /nfs/dbraw/zinc/43/61/88/621436188.db2.gz CPVJMLVCUJMMRQ-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1cc(C)nc(CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000903760672 621436233 /nfs/dbraw/zinc/43/62/33/621436233.db2.gz JHCRBINTUCVYHP-FUHWJXTLSA-N 2 0 299.393 2.764 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C)c1ccccc1 ZINC000903757565 621438499 /nfs/dbraw/zinc/43/84/99/621438499.db2.gz DLKJMHVCHPTEIF-MXSMSXNCSA-N 2 0 288.435 2.537 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790866 621439168 /nfs/dbraw/zinc/43/91/68/621439168.db2.gz FEQBKCLUJRFEKJ-UHFFFAOYSA-N 2 0 298.471 2.807 20 0 CFADRP Cc1ccc([C@H](O)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903791124 621439262 /nfs/dbraw/zinc/43/92/62/621439262.db2.gz NQRCMDYNTMHGAE-QGZVFWFLSA-N 2 0 290.451 2.725 20 0 CFADRP C/C=C\C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775819 621439442 /nfs/dbraw/zinc/43/94/42/621439442.db2.gz ORLVDTDCKBAMNL-KWWITBOBSA-N 2 0 292.467 2.823 20 0 CFADRP c1csc(CC2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903774859 621439727 /nfs/dbraw/zinc/43/97/27/621439727.db2.gz AOVHMDSWQXGOHT-HNNXBMFYSA-N 2 0 293.480 2.787 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778389 621440071 /nfs/dbraw/zinc/44/00/71/621440071.db2.gz MOVJDWTYTGQBNW-RYRKJORJSA-N 2 0 288.435 2.756 20 0 CFADRP c1ccc([C@]23C[C@H]2C[N@@H+](C[C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC000903784275 621441325 /nfs/dbraw/zinc/44/13/25/621441325.db2.gz MYZBWJFVQWRCFG-BPQIPLTHSA-N 2 0 270.420 2.650 20 0 CFADRP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903784216 621441379 /nfs/dbraw/zinc/44/13/79/621441379.db2.gz LUYUMBSAWUQLOL-STEAMIEHSA-N 2 0 298.430 2.689 20 0 CFADRP c1csc(C[C@@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903787174 621442491 /nfs/dbraw/zinc/44/24/91/621442491.db2.gz VBFXLSRHMJWSRQ-GJZGRUSLSA-N 2 0 293.480 2.787 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCCOC(F)(F)F)CCC1 ZINC000903811591 621446797 /nfs/dbraw/zinc/44/67/97/621446797.db2.gz NNTOUIMFKJYVTI-LBPRGKRZSA-N 2 0 294.361 2.896 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903811265 621447170 /nfs/dbraw/zinc/44/71/70/621447170.db2.gz KPXIGPXXPWEHSL-HNNXBMFYSA-N 2 0 293.480 2.978 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCCO2)CCC1 ZINC000903812651 621447893 /nfs/dbraw/zinc/44/78/93/621447893.db2.gz VPHXKACEUWRAHR-GJZGRUSLSA-N 2 0 266.429 2.539 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)cc1Cl)C2 ZINC000903842563 621449566 /nfs/dbraw/zinc/44/95/66/621449566.db2.gz PMLNNZFFOOLYFY-BIMULSAOSA-N 2 0 268.763 2.791 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCSc1ccc(F)cc1F)C2 ZINC000903841570 621453096 /nfs/dbraw/zinc/45/30/96/621453096.db2.gz FXNZWEAMRANTQL-DRZSPHRISA-N 2 0 298.402 2.869 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000903847040 621455392 /nfs/dbraw/zinc/45/53/92/621455392.db2.gz SDLDEWRGDDBWHE-AVGNSLFASA-N 2 0 282.334 2.600 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1Cl)C2 ZINC000903850261 621456043 /nfs/dbraw/zinc/45/60/43/621456043.db2.gz NGBSJYVSSQMMBL-UHTWSYAYSA-N 2 0 250.773 2.652 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(OC2CCCC2)CC1 ZINC000903889153 621459923 /nfs/dbraw/zinc/45/99/23/621459923.db2.gz PFTVTGAMZWVHNT-MQVJKMGUSA-N 2 0 292.467 2.941 20 0 CFADRP COc1ccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000903888500 621460036 /nfs/dbraw/zinc/46/00/36/621460036.db2.gz DITQBZWQRGJFRQ-ALOPSCKCSA-N 2 0 288.435 2.966 20 0 CFADRP c1c[nH]c([C@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903873785 621462407 /nfs/dbraw/zinc/46/24/07/621462407.db2.gz XNBYTFRVKGXODJ-NQKGRLOXSA-N 2 0 259.397 2.682 20 0 CFADRP CCCCC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C(C)C ZINC000903882780 621464101 /nfs/dbraw/zinc/46/41/01/621464101.db2.gz CDENHSAMJZLOOP-INIZCTEOSA-N 2 0 294.487 2.747 20 0 CFADRP CC(C)(C)CCN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903885431 621464855 /nfs/dbraw/zinc/46/48/55/621464855.db2.gz HPRIUGMEKIOHKZ-ALOPSCKCSA-N 2 0 293.499 2.571 20 0 CFADRP CC[C@H]1CCCCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894869 621465703 /nfs/dbraw/zinc/46/57/03/621465703.db2.gz GXCRHDOPLYNEOH-RDJZCZTQSA-N 2 0 292.471 2.501 20 0 CFADRP Fc1ccc(F)c2c1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903897274 621467271 /nfs/dbraw/zinc/46/72/71/621467271.db2.gz GNIYVFJBGPDRLF-YHWZYXNKSA-N 2 0 292.373 2.854 20 0 CFADRP c1ccc([C@H]2COCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903910986 621471542 /nfs/dbraw/zinc/47/15/42/621471542.db2.gz UIJJXZILFWNMPN-NXCDMZCRSA-N 2 0 286.419 2.591 20 0 CFADRP CCOCCC1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CCCC1 ZINC000903919247 621473044 /nfs/dbraw/zinc/47/30/44/621473044.db2.gz BZAYKDPQFZTLNM-LBPRGKRZSA-N 2 0 278.387 2.546 20 0 CFADRP [NH3+][C@H](CNCc1ccccc1OC1CCC1)CC(F)F ZINC000903922329 621473708 /nfs/dbraw/zinc/47/37/08/621473708.db2.gz VIUABNJUMWJWEX-LBPRGKRZSA-N 2 0 284.350 2.690 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCCC(C)(C)[NH3+])CC2)C1 ZINC000903939302 621475221 /nfs/dbraw/zinc/47/52/21/621475221.db2.gz FUOOMBNBTDVFLN-HOCLYGCPSA-N 2 0 281.488 2.747 20 0 CFADRP CC[N@H+](CCCNC[C@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000903933082 621476261 /nfs/dbraw/zinc/47/62/61/621476261.db2.gz YIJXDWOTMKXHDG-CYBMUJFWSA-N 2 0 291.430 2.603 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC(C)(C)[NH3+])C1 ZINC000903938838 621478145 /nfs/dbraw/zinc/47/81/45/621478145.db2.gz MORBCVPPRMSESE-HOCLYGCPSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)[C@H]1C ZINC000903957728 621479055 /nfs/dbraw/zinc/47/90/55/621479055.db2.gz SYRCDITVKPCVOZ-XQHKEYJVSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903940104 621481523 /nfs/dbraw/zinc/48/15/23/621481523.db2.gz XCKAEJMJAWYZAT-LLVKDONJSA-N 2 0 297.830 2.774 20 0 CFADRP COc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1OC(F)F ZINC000903940715 621481604 /nfs/dbraw/zinc/48/16/04/621481604.db2.gz CJEWACRETHKJRU-UHFFFAOYSA-N 2 0 288.338 2.514 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000903939918 621481675 /nfs/dbraw/zinc/48/16/75/621481675.db2.gz QPUWYCGCPHJJJZ-UHFFFAOYSA-N 2 0 266.332 2.984 20 0 CFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903940101 621481837 /nfs/dbraw/zinc/48/18/37/621481837.db2.gz XAMBGMALOKLMEB-CQSZACIVSA-N 2 0 294.439 2.742 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955723 621490393 /nfs/dbraw/zinc/49/03/93/621490393.db2.gz ASJLLEVAQIPZCF-YPMHNXCESA-N 2 0 260.372 2.790 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000903955798 621490523 /nfs/dbraw/zinc/49/05/23/621490523.db2.gz ZHNUWBVXNFCXFN-CYBMUJFWSA-N 2 0 291.345 2.569 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1Cl ZINC000903975141 621493116 /nfs/dbraw/zinc/49/31/16/621493116.db2.gz YGGUIZURWYMNQD-TZMCWYRMSA-N 2 0 266.816 2.984 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1CC[NH3+] ZINC000903977107 621493662 /nfs/dbraw/zinc/49/36/62/621493662.db2.gz JFLOYKJURFKCHA-VXGBXAGGSA-N 2 0 276.355 2.989 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000903978704 621494133 /nfs/dbraw/zinc/49/41/33/621494133.db2.gz LFMCOIDLTLJYTD-BXUZGUMPSA-N 2 0 268.351 2.959 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000903964771 621495818 /nfs/dbraw/zinc/49/58/18/621495818.db2.gz QWXTVVJREFHZIR-PWSUYJOCSA-N 2 0 272.314 2.651 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000903967771 621496412 /nfs/dbraw/zinc/49/64/12/621496412.db2.gz NYHIUHMDATUVEL-XBVQOTNRSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000903967743 621496438 /nfs/dbraw/zinc/49/64/38/621496438.db2.gz MTDQASUJMJPKTQ-NQZOLGFYSA-N 2 0 276.399 2.907 20 0 CFADRP CC(C)(C)[NH2+]CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986557 621499117 /nfs/dbraw/zinc/49/91/17/621499117.db2.gz MARRUYIGTWDQEW-UHFFFAOYSA-N 2 0 281.488 2.761 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC000903987634 621499408 /nfs/dbraw/zinc/49/94/08/621499408.db2.gz IBVVPDKHRCWKEF-CYBMUJFWSA-N 2 0 281.831 2.813 20 0 CFADRP CCCN(C[C@@H]([NH3+])CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904299649 621568356 /nfs/dbraw/zinc/56/83/56/621568356.db2.gz KSAAGIHYSNBCIS-AWEZNQCLSA-N 2 0 269.477 2.604 20 0 CFADRP CC(C)[NH+]1CCC(N(C)C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904307239 621570092 /nfs/dbraw/zinc/57/00/92/621570092.db2.gz MHYVGZSTTHSCFP-OAHLLOKOSA-N 2 0 283.504 2.945 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307778 621570277 /nfs/dbraw/zinc/57/02/77/621570277.db2.gz WFPMHGVLMJWDQE-FOGDFJRCSA-N 2 0 254.324 2.695 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904311370 621571107 /nfs/dbraw/zinc/57/11/07/621571107.db2.gz ADULWFQRYDXQJZ-QGZVFWFLSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(COc3ccccc3)CC2)C1 ZINC000904313065 621571403 /nfs/dbraw/zinc/57/14/03/621571403.db2.gz BPBCSBFDFBLZAD-IYBDPMFKSA-N 2 0 274.408 2.515 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000904313411 621571763 /nfs/dbraw/zinc/57/17/63/621571763.db2.gz GBAYEMRSVZHTBM-OAHLLOKOSA-N 2 0 283.504 2.946 20 0 CFADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316376 621572325 /nfs/dbraw/zinc/57/23/25/621572325.db2.gz NIYZXTRTKIVJHM-HYVNUMGLSA-N 2 0 258.409 2.739 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000904320479 621573432 /nfs/dbraw/zinc/57/34/32/621573432.db2.gz ITYPKIGYCMUAAK-KYOSRNDESA-N 2 0 264.800 2.867 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322944 621573985 /nfs/dbraw/zinc/57/39/85/621573985.db2.gz KSPCEYFDUQEHKI-FPCVCCKLSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322597 621574105 /nfs/dbraw/zinc/57/41/05/621574105.db2.gz DZQFMMVOJDKSOH-RKLWJJNISA-N 2 0 262.372 2.946 20 0 CFADRP CC[N@H+](C[C@@H](O)c1ccc(C)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322678 621574282 /nfs/dbraw/zinc/57/42/82/621574282.db2.gz HACHEDLJKWQIMY-MSOLQXFVSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322729 621574353 /nfs/dbraw/zinc/57/43/53/621574353.db2.gz ISQWOTWLWHWQNZ-HLSYRSCKSA-N 2 0 262.372 2.741 20 0 CFADRP CCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000904322379 621574471 /nfs/dbraw/zinc/57/44/71/621574471.db2.gz BAWNONXCZNUOPX-UIBIWLFHSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)CCC[NH2+]C1 ZINC000904330781 621576730 /nfs/dbraw/zinc/57/67/30/621576730.db2.gz CHJITXJIVQYZOA-AEFFLSMTSA-N 2 0 288.435 2.777 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C12CCC2 ZINC000904328704 621576816 /nfs/dbraw/zinc/57/68/16/621576816.db2.gz RHSLMWFPDQHQFN-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342103 621577860 /nfs/dbraw/zinc/57/78/60/621577860.db2.gz XDJHJDPJZUGTJV-QMCVQRASSA-N 2 0 258.409 2.677 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1C ZINC000904340914 621577943 /nfs/dbraw/zinc/57/79/43/621577943.db2.gz NUIXNXAPOBIHRN-XHSDSOJGSA-N 2 0 283.504 2.945 20 0 CFADRP Cc1ccc(N2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)[C@H](C)C2)cc1C ZINC000904340868 621578184 /nfs/dbraw/zinc/57/81/84/621578184.db2.gz MKGLJQGQFPXBHA-ZACQAIPSSA-N 2 0 287.451 2.551 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904343537 621578812 /nfs/dbraw/zinc/57/88/12/621578812.db2.gz VDPUPIUGSGIHGQ-MRXNPFEDSA-N 2 0 264.388 2.956 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904354625 621581573 /nfs/dbraw/zinc/58/15/73/621581573.db2.gz HVXGXBSBZHAGNN-MWLCHTKSSA-N 2 0 272.314 2.980 20 0 CFADRP COc1cccc(C2(C[NH2+]C3CC(C[NH3+])C3)CCCC2)c1 ZINC000904359911 621582353 /nfs/dbraw/zinc/58/23/53/621582353.db2.gz HCJZLMVWDNTUTP-UHFFFAOYSA-N 2 0 288.435 2.834 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000904367856 621584028 /nfs/dbraw/zinc/58/40/28/621584028.db2.gz FBEDJDUJZHBCLS-UAGQMJEPSA-N 2 0 288.435 2.607 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@]2(C)CCC[NH2+]C2)cn1 ZINC000904374751 621584776 /nfs/dbraw/zinc/58/47/76/621584776.db2.gz WGAQSPHJRIEYRC-GOSISDBHSA-N 2 0 287.451 2.992 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1CNc2ccccc2C1 ZINC000904376493 621586970 /nfs/dbraw/zinc/58/69/70/621586970.db2.gz UOFZRUFBHBCVNT-HUUCEWRRSA-N 2 0 275.440 2.766 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000904376457 621587264 /nfs/dbraw/zinc/58/72/64/621587264.db2.gz SPIQNSAUHFOWLD-UHFFFAOYSA-N 2 0 274.408 2.572 20 0 CFADRP C[C@@]1(C[NH+]2CCC3(CCSCC3)CC2)CCC[NH2+]C1 ZINC000904385422 621588723 /nfs/dbraw/zinc/58/87/23/621588723.db2.gz YHJLNTIZUFJRDN-OAHLLOKOSA-N 2 0 282.497 2.985 20 0 CFADRP C[N@@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CCC1(C)C ZINC000904384776 621588873 /nfs/dbraw/zinc/58/88/73/621588873.db2.gz NSQGETVMRLYQLS-CQSZACIVSA-N 2 0 269.477 2.556 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904388099 621589504 /nfs/dbraw/zinc/58/95/04/621589504.db2.gz CJQYVFPYTZPUSH-GDBMZVCRSA-N 2 0 293.480 2.787 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904405128 621590173 /nfs/dbraw/zinc/59/01/73/621590173.db2.gz FCIGFQWEEIHNCS-LBPRGKRZSA-N 2 0 267.442 2.512 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(-c2ccnn2C)c1 ZINC000904404709 621590402 /nfs/dbraw/zinc/59/04/02/621590402.db2.gz DFJBQFFBDYUWOB-HNNXBMFYSA-N 2 0 298.434 2.566 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904406087 621590982 /nfs/dbraw/zinc/59/09/82/621590982.db2.gz PCQNSOINJDCXSE-MRXNPFEDSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904409659 621591190 /nfs/dbraw/zinc/59/11/90/621591190.db2.gz FQXFVFLYIJBZNW-BFYDXBDKSA-N 2 0 260.425 2.782 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@H]1C[NH3+] ZINC000904410580 621591795 /nfs/dbraw/zinc/59/17/95/621591795.db2.gz OZTCSAJDQJGOCQ-ZFWWWQNUSA-N 2 0 258.409 2.592 20 0 CFADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1C[NH3+] ZINC000904410913 621591976 /nfs/dbraw/zinc/59/19/76/621591976.db2.gz RQEKIXPQRAYLKK-RYUDHWBXSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC[C@@H]1C[NH3+] ZINC000904410348 621592026 /nfs/dbraw/zinc/59/20/26/621592026.db2.gz FIBHSUUHZMXANG-BTBCPRSTSA-N 2 0 280.362 2.895 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@@H]1C[NH3+] ZINC000904410004 621592048 /nfs/dbraw/zinc/59/20/48/621592048.db2.gz LKGTUNFKKVSHOQ-UKRRQHHQSA-N 2 0 288.435 2.817 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)ccc1F ZINC000904411059 621592438 /nfs/dbraw/zinc/59/24/38/621592438.db2.gz JAQJZZSLKKQJCC-JSGCOSHPSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@H]1C[NH3+] ZINC000904411877 621592593 /nfs/dbraw/zinc/59/25/93/621592593.db2.gz PJIZTCAADVHVOM-MNOVXSKESA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@H]1C[NH3+] ZINC000904411491 621592810 /nfs/dbraw/zinc/59/28/10/621592810.db2.gz KZAPDONNXGQATN-ZBFHGGJFSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000904411303 621592819 /nfs/dbraw/zinc/59/28/19/621592819.db2.gz UIIUUWAHOURUSH-IPYPFGDCSA-N 2 0 264.388 2.846 20 0 CFADRP COCC(C)(C)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904417032 621593948 /nfs/dbraw/zinc/59/39/48/621593948.db2.gz XDTAUAFOKGXCSQ-OAHLLOKOSA-N 2 0 282.472 2.761 20 0 CFADRP COc1ccc(C[C@@H](C)CN[C@H]2C[NH2+]CC2(C)C)cc1F ZINC000904461609 621597079 /nfs/dbraw/zinc/59/70/79/621597079.db2.gz KEIBCDFZNBOOPD-WBMJQRKESA-N 2 0 294.414 2.601 20 0 CFADRP C[C@H]([NH2+]C1CC(C[NH3+])C1)c1cc(Cl)cc2c1OCC2 ZINC000904444794 621599417 /nfs/dbraw/zinc/59/94/17/621599417.db2.gz STSRKLUMXLEISP-JBLZRFIASA-N 2 0 280.799 2.663 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000904445473 621599468 /nfs/dbraw/zinc/59/94/68/621599468.db2.gz XNKHBXZKASBJFE-UHFFFAOYSA-N 2 0 287.451 2.852 20 0 CFADRP Cn1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000904456463 621599932 /nfs/dbraw/zinc/59/99/32/621599932.db2.gz JABCZXOYCZKNKE-UHFFFAOYSA-N 2 0 283.419 2.518 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cncs2)CC1 ZINC000904459860 621599998 /nfs/dbraw/zinc/59/99/98/621599998.db2.gz YYCYUOOXXMFJAD-UHFFFAOYSA-N 2 0 287.432 2.636 20 0 CFADRP c1csc(C[C@@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000904468405 621600688 /nfs/dbraw/zinc/60/06/88/621600688.db2.gz BWLBQBLHSSDINL-AVOUXACISA-N 2 0 291.464 2.538 20 0 CFADRP CC(C)([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000904476894 621601849 /nfs/dbraw/zinc/60/18/49/621601849.db2.gz SOWYEWRFCQJJSZ-HEHGZKQESA-N 2 0 273.424 2.680 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc(C)c2)CC1 ZINC000905136091 621708328 /nfs/dbraw/zinc/70/83/28/621708328.db2.gz KIDOSALNMSTPCN-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905600048 621795347 /nfs/dbraw/zinc/79/53/47/621795347.db2.gz GQSJRQFZUPNHAD-AQFXKWCLSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)c1 ZINC000906157323 621935334 /nfs/dbraw/zinc/93/53/34/621935334.db2.gz DMDFJUSMHDICHF-INIZCTEOSA-N 2 0 282.391 2.630 20 0 CFADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1Oc1cccnc1 ZINC000906507775 621994564 /nfs/dbraw/zinc/99/45/64/621994564.db2.gz BTURKBJNWYNCHA-SHTZXODSSA-N 2 0 283.375 2.762 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000906507617 621994806 /nfs/dbraw/zinc/99/48/06/621994806.db2.gz BCLWKNGMQKDHPX-SHTZXODSSA-N 2 0 292.386 2.605 20 0 CFADRP CC[C@H]1c2ccsc2CCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000908515213 622237874 /nfs/dbraw/zinc/23/78/74/622237874.db2.gz JCZJHTVTCYHVDJ-ZFWWWQNUSA-N 2 0 294.464 2.514 20 0 CFADRP CC(C)C[C@](C)(C[NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911844405 622563421 /nfs/dbraw/zinc/56/34/21/622563421.db2.gz FRHJCALJQIYTGS-MLGOLLRUSA-N 2 0 277.412 2.656 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924846665 622750463 /nfs/dbraw/zinc/75/04/63/622750463.db2.gz ONTQRQYKULMDEA-ODIFPOPNSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809593 622762207 /nfs/dbraw/zinc/76/22/07/622762207.db2.gz DPZFCULFYKFKDA-PPHJYPGKSA-N 2 0 280.456 2.531 20 0 CFADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccsc1 ZINC000820811520 622763037 /nfs/dbraw/zinc/76/30/37/622763037.db2.gz RLTRZIHSAXXTJF-WDVRLDOZSA-N 2 0 292.448 2.529 20 0 CFADRP C[C@H](CCCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820812942 622764343 /nfs/dbraw/zinc/76/43/43/622764343.db2.gz VUPLRGZXUFSALI-KGLIPLIRSA-N 2 0 264.413 2.560 20 0 CFADRP CO[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000821355300 622903062 /nfs/dbraw/zinc/90/30/62/622903062.db2.gz QIXCSCNAZXPPCN-JKSUJKDBSA-N 2 0 266.429 2.504 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@@H]1[NH3+] ZINC000165083836 622980213 /nfs/dbraw/zinc/98/02/13/622980213.db2.gz LKHUMKFYNQVALC-GUYCJALGSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000157413548 623032087 /nfs/dbraw/zinc/03/20/87/623032087.db2.gz CPJVSGXFNUWYIL-COXVUDFISA-N 2 0 273.424 2.595 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)oc21 ZINC000841101632 623053294 /nfs/dbraw/zinc/05/32/94/623053294.db2.gz XBXSBSDFCGEBSG-TZMCWYRMSA-N 2 0 288.391 2.858 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000227057559 623097086 /nfs/dbraw/zinc/09/70/86/623097086.db2.gz VRNXLQRTZISLHB-LRDDRELGSA-N 2 0 269.392 2.712 20 0 CFADRP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000822634725 623140127 /nfs/dbraw/zinc/14/01/27/623140127.db2.gz KFZADECCWGVTSY-VXGBXAGGSA-N 2 0 279.255 2.844 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000228470863 623144609 /nfs/dbraw/zinc/14/46/09/623144609.db2.gz VQRFFRFKGMUUJG-NWANDNLSSA-N 2 0 264.438 2.924 20 0 CFADRP CCN1CCC([N@H+](C)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822663221 623146013 /nfs/dbraw/zinc/14/60/13/623146013.db2.gz ACHUQPBASUGQKQ-LLVKDONJSA-N 2 0 279.255 2.986 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822966549 623210705 /nfs/dbraw/zinc/21/07/05/623210705.db2.gz IZYLZMJYKNKJON-VXGBXAGGSA-N 2 0 279.255 2.986 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)nc1)CC1CC[NH+](C)CC1 ZINC000063120737 623324477 /nfs/dbraw/zinc/32/44/77/623324477.db2.gz ALJRTIDWQIDHCR-UHFFFAOYSA-N 2 0 267.804 2.509 20 0 CFADRP Clc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000063200531 623332549 /nfs/dbraw/zinc/33/25/49/623332549.db2.gz GJSNXWFNHHYZSQ-CQSZACIVSA-N 2 0 279.815 2.699 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197660 623332874 /nfs/dbraw/zinc/33/28/74/623332874.db2.gz BNVOPBPOAHHGDL-QGZVFWFLSA-N 2 0 274.408 2.659 20 0 CFADRP CCOC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000311719414 623477296 /nfs/dbraw/zinc/47/72/96/623477296.db2.gz PGOUVLOFPVDHRH-GOOCMWNKSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000840745867 623482584 /nfs/dbraw/zinc/48/25/84/623482584.db2.gz PYOYJMPQPGPPEU-JZXOWHBKSA-N 2 0 290.451 2.678 20 0 CFADRP CCN1CCC([N@H+](C)C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929778035 623664500 /nfs/dbraw/zinc/66/45/00/623664500.db2.gz GSJJFUWYHZVIPL-INIZCTEOSA-N 2 0 280.456 2.894 20 0 CFADRP C1CC1[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000825325137 623671743 /nfs/dbraw/zinc/67/17/43/623671743.db2.gz BFCRAOHSQSLWCS-FPQWYMTMSA-N 2 0 292.467 2.941 20 0 CFADRP CCC[N@H+](C[C@H](O)CN1CCCC1)CC1CCCCC1 ZINC000918778572 624488298 /nfs/dbraw/zinc/48/82/98/624488298.db2.gz MDQZMQIOLZFGCT-QGZVFWFLSA-N 2 0 282.472 2.735 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000930060906 624531666 /nfs/dbraw/zinc/53/16/66/624531666.db2.gz NPNIJNKBDVDJJV-XYJFISCASA-N 2 0 294.483 2.854 20 0 CFADRP CCCC[N@H+](C)CC1CCN(CC[NH+]2CCCC2)CC1 ZINC000089886316 624616380 /nfs/dbraw/zinc/61/63/80/624616380.db2.gz UNWAOLVRSXHOEK-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925473900 624629618 /nfs/dbraw/zinc/62/96/18/624629618.db2.gz GRHWVDKRWHHAJN-QAPCUYQASA-N 2 0 289.467 2.759 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925480010 624719349 /nfs/dbraw/zinc/71/93/49/624719349.db2.gz ULXQSTYDVRZFGZ-KBPBESRZSA-N 2 0 294.414 2.872 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000070171042 625279597 /nfs/dbraw/zinc/27/95/97/625279597.db2.gz BIWAQMPSBIIGBT-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185761964 625772819 /nfs/dbraw/zinc/77/28/19/625772819.db2.gz ABJIPAJZYTZORL-JKSUJKDBSA-N 2 0 294.483 2.924 20 0 CFADRP Cc1ccc(F)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000834894726 625912562 /nfs/dbraw/zinc/91/25/62/625912562.db2.gz VUKKRRGAJGRVEW-MQVJKMGUSA-N 2 0 276.399 2.891 20 0 CFADRP Cc1cnc(Cl)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000921619669 625998437 /nfs/dbraw/zinc/99/84/37/625998437.db2.gz OECUSFFNXVLZFQ-CYBMUJFWSA-N 2 0 281.831 2.863 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000921685973 626077379 /nfs/dbraw/zinc/07/73/79/626077379.db2.gz CSGUVJDEANIHJJ-UHFFFAOYSA-N 2 0 285.391 2.529 20 0 CFADRP FCCn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000921736372 626101103 /nfs/dbraw/zinc/10/11/03/626101103.db2.gz FWHIUQNRNPMQFN-UHFFFAOYSA-N 2 0 296.434 2.598 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000922138270 626215117 /nfs/dbraw/zinc/21/51/17/626215117.db2.gz IGDFRJSPLAKOQO-HZSPNIEDSA-N 2 0 258.475 2.979 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000922140053 626216322 /nfs/dbraw/zinc/21/63/22/626216322.db2.gz GURGZDMYANVOFW-YLFCFFPRSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccnn1C1CCC1)C1CC1 ZINC000922170471 626230002 /nfs/dbraw/zinc/23/00/02/626230002.db2.gz FZDPSUZOVPFPRO-UHFFFAOYSA-N 2 0 276.428 2.572 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000922181770 626233201 /nfs/dbraw/zinc/23/32/01/626233201.db2.gz ZBCPXXHSRMKQRJ-LTIDMASMSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000922214751 626242144 /nfs/dbraw/zinc/24/21/44/626242144.db2.gz SMFLISWBNCQKFV-NUWOQIAWSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)[NH+](C)C ZINC000922254398 626252724 /nfs/dbraw/zinc/25/27/24/626252724.db2.gz JSQHSZGIIVUUKU-HYVNUMGLSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000922283575 626259593 /nfs/dbraw/zinc/25/95/93/626259593.db2.gz DHDKGHSZCYOQCF-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]([NH3+])C1 ZINC000925487493 634490121 /nfs/dbraw/zinc/49/01/21/634490121.db2.gz CWZSTDRGYSPQIL-KGLIPLIRSA-N 2 0 250.361 2.821 20 0 CFADRP Cc1cnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000922502622 626298944 /nfs/dbraw/zinc/29/89/44/626298944.db2.gz FKSLBQNWMALDDN-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccncc2N)CC1 ZINC000922505054 626299414 /nfs/dbraw/zinc/29/94/14/626299414.db2.gz PZCODZNNSJURPL-UHFFFAOYSA-N 2 0 288.439 2.551 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cnc3ccccc3c2)CN1C1CC1 ZINC000922704465 626346670 /nfs/dbraw/zinc/34/66/70/626346670.db2.gz SEZWAXSSDOBXKG-PBHICJAKSA-N 2 0 295.430 2.992 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000922771902 626362400 /nfs/dbraw/zinc/36/24/00/626362400.db2.gz RQEHNKWCEJFNBC-HZPDHXFCSA-N 2 0 299.418 2.895 20 0 CFADRP CCCCCC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186590418 626380411 /nfs/dbraw/zinc/38/04/11/626380411.db2.gz WGNMJCJUOVTNEA-DLBZAZTESA-N 2 0 283.504 2.961 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1(C)C ZINC000922896428 626420560 /nfs/dbraw/zinc/42/05/60/626420560.db2.gz NSZCXMZFXQXPFB-OWCLPIDISA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1(C)C ZINC000922896430 626420645 /nfs/dbraw/zinc/42/06/45/626420645.db2.gz NSZCXMZFXQXPFB-PMPSAXMXSA-N 2 0 280.456 2.654 20 0 CFADRP c1cc(C[NH2+]C[C@]23C[C@H]2CCC3)n(-c2cc[nH+]cc2)n1 ZINC000922962513 626434614 /nfs/dbraw/zinc/43/46/14/626434614.db2.gz JVEJRYKCIPGQAQ-CJNGLKHVSA-N 2 0 268.364 2.547 20 0 CFADRP CCCCCC[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000923294543 626463578 /nfs/dbraw/zinc/46/35/78/626463578.db2.gz NARADJULDOEOSQ-NRXISQOPSA-N 2 0 256.434 2.519 20 0 CFADRP c1ccc2[nH]c(C3CC[NH+](CCC[NH2+]C4CC4)CC3)nc2c1 ZINC000923318941 626465668 /nfs/dbraw/zinc/46/56/68/626465668.db2.gz JMSDGZLTRHGFIO-UHFFFAOYSA-N 2 0 298.434 2.884 20 0 CFADRP c1c[nH]c([C@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923321561 626466400 /nfs/dbraw/zinc/46/64/00/626466400.db2.gz DYFHMGLXOOUPKJ-PNRVRQOCSA-N 2 0 288.439 2.510 20 0 CFADRP C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923370387 626469056 /nfs/dbraw/zinc/46/90/56/626469056.db2.gz GDKDVVQWYSNJOT-ASDXVTRWSA-N 2 0 292.467 2.656 20 0 CFADRP CC1(C)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC(C)(C)C1 ZINC000923390619 626469955 /nfs/dbraw/zinc/46/99/55/626469955.db2.gz JMVYGPKXTYOYKP-CQSZACIVSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923391424 626470105 /nfs/dbraw/zinc/47/01/05/626470105.db2.gz FPSMQWVWPLNAMP-CCKFTAQKSA-N 2 0 298.430 2.555 20 0 CFADRP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CCC[NH2+]C1CC1 ZINC000923398295 626470779 /nfs/dbraw/zinc/47/07/79/626470779.db2.gz KCNRFOBVUFBABC-PBWFPOADSA-N 2 0 270.367 2.781 20 0 CFADRP Cc1cccc([C@H]([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)C(C)C)c1 ZINC000923404296 626470989 /nfs/dbraw/zinc/47/09/89/626470989.db2.gz YQIIIPVHJDVDBT-DLBZAZTESA-N 2 0 288.435 2.660 20 0 CFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448246 626473530 /nfs/dbraw/zinc/47/35/30/626473530.db2.gz AHDMPZRTAYEKOP-XJKSGUPXSA-N 2 0 292.398 2.717 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448465 626473541 /nfs/dbraw/zinc/47/35/41/626473541.db2.gz CMHCRLMDLGWORC-IRXDYDNUSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449724 626473884 /nfs/dbraw/zinc/47/38/84/626473884.db2.gz BRAJCAQUVFXFIA-BZUAXINKSA-N 2 0 280.456 2.643 20 0 CFADRP Cc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)sc1C(C)(C)C ZINC000923478829 626475870 /nfs/dbraw/zinc/47/58/70/626475870.db2.gz HXBZYXAXYVFISQ-LBPRGKRZSA-N 2 0 281.469 2.920 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000923481273 626475920 /nfs/dbraw/zinc/47/59/20/626475920.db2.gz IIDMBYBFMSGDDL-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923483000 626476232 /nfs/dbraw/zinc/47/62/32/626476232.db2.gz LAZLYNSZASSCNU-NEPJUHHUSA-N 2 0 265.401 2.704 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000923486312 626476340 /nfs/dbraw/zinc/47/63/40/626476340.db2.gz PEXXCTSUZLCNIB-GFCCVEGCSA-N 2 0 289.354 2.651 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923489431 626476480 /nfs/dbraw/zinc/47/64/80/626476480.db2.gz JXYMONVJHMHCLE-GHMZBOCLSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@H]1C[N@H+](CCCc2ccsc2)CC[C@H]1C[NH3+] ZINC000923496046 626476494 /nfs/dbraw/zinc/47/64/94/626476494.db2.gz ZCMNFNQTTVKSGB-JSGCOSHPSA-N 2 0 252.427 2.597 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)co2)CC[C@H]1C[NH3+] ZINC000923492715 626476681 /nfs/dbraw/zinc/47/66/81/626476681.db2.gz ZAJXRKLHAIAXEE-ZJUUUORDSA-N 2 0 276.302 2.715 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)co2)CC[C@@H]1C[NH3+] ZINC000923492713 626476789 /nfs/dbraw/zinc/47/67/89/626476789.db2.gz ZAJXRKLHAIAXEE-VHSXEESVSA-N 2 0 276.302 2.715 20 0 CFADRP OCCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503364 626477027 /nfs/dbraw/zinc/47/70/27/626477027.db2.gz JYUDSNIURIJPGM-MRXNPFEDSA-N 2 0 282.472 2.641 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)CC[C@H]1C[NH3+] ZINC000923497825 626477064 /nfs/dbraw/zinc/47/70/64/626477064.db2.gz MNDMAWPGWVGBPQ-NEPJUHHUSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923499100 626477155 /nfs/dbraw/zinc/47/71/55/626477155.db2.gz JQYLLVFHTNBXFD-UONOGXRCSA-N 2 0 280.387 2.511 20 0 CFADRP C[C@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499282 626477391 /nfs/dbraw/zinc/47/73/91/626477391.db2.gz MJLNYUSXFUIRMR-FUHWJXTLSA-N 2 0 290.451 2.553 20 0 CFADRP C[C@@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499283 626477459 /nfs/dbraw/zinc/47/74/59/626477459.db2.gz MJLNYUSXFUIRMR-SJLPKXTDSA-N 2 0 290.451 2.553 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923499836 626477524 /nfs/dbraw/zinc/47/75/24/626477524.db2.gz MGQMGFJRNNXXJC-HIFRSBDPSA-N 2 0 264.388 2.675 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC000923504872 626477665 /nfs/dbraw/zinc/47/76/65/626477665.db2.gz VFGHJJNWDFPSNS-NWDGAFQWSA-N 2 0 297.240 2.866 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923506127 626477796 /nfs/dbraw/zinc/47/77/96/626477796.db2.gz HPWBIYSZXXUXMS-HNNXBMFYSA-N 2 0 291.439 2.893 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923510460 626478068 /nfs/dbraw/zinc/47/80/68/626478068.db2.gz UPKUFPQZUFVKKB-AAEUAGOBSA-N 2 0 297.240 2.866 20 0 CFADRP CC1(C)C[C@H](c2ccccc2)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923526927 626478627 /nfs/dbraw/zinc/47/86/27/626478627.db2.gz WCLQZPGWQROEOD-HOCLYGCPSA-N 2 0 258.409 2.864 20 0 CFADRP C(=C\[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525343 626478646 /nfs/dbraw/zinc/47/86/46/626478646.db2.gz FUAFWTINFKVXSH-DSPBCKRPSA-N 2 0 256.393 2.774 20 0 CFADRP Clc1cccc2c1CC[C@H]2[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522349 626478660 /nfs/dbraw/zinc/47/86/60/626478660.db2.gz UKYHIXNHAGNMOM-HWWQOWPSSA-N 2 0 276.811 2.869 20 0 CFADRP Clc1cccc(SCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923522531 626478699 /nfs/dbraw/zinc/47/86/99/626478699.db2.gz VXOAEHGQERTXDG-QWHCGFSZSA-N 2 0 296.867 2.973 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923548998 626479313 /nfs/dbraw/zinc/47/93/13/626479313.db2.gz CXVWRLJVCGKCBK-SFHVURJKSA-N 2 0 294.483 2.905 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCc2ccccc2)C2CC2)C1 ZINC000923553928 626479445 /nfs/dbraw/zinc/47/94/45/626479445.db2.gz LLLJFXFSWZCONA-JKSUJKDBSA-N 2 0 258.409 2.821 20 0 CFADRP CC(C)C[C@H]1CN(C)CC[N@@H+]1CCCCCCC[NH3+] ZINC000923555648 626479454 /nfs/dbraw/zinc/47/94/54/626479454.db2.gz TYOLSXQCWIELIG-INIZCTEOSA-N 2 0 269.477 2.558 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000838908640 626513366 /nfs/dbraw/zinc/51/33/66/626513366.db2.gz ZFGBYKJVLTVPBF-HNNXBMFYSA-N 2 0 298.471 2.677 20 0 CFADRP c1ccc(NCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000838971156 626517631 /nfs/dbraw/zinc/51/76/31/626517631.db2.gz YBINCSAEEVHHTF-UHFFFAOYSA-N 2 0 296.418 2.752 20 0 CFADRP C[N@@H+]1CCCC12CCN(CC[C@@H](O)c1ccccc1)CC2 ZINC000839534594 626545906 /nfs/dbraw/zinc/54/59/06/626545906.db2.gz CCUHAODKXWWKBL-QGZVFWFLSA-N 2 0 288.435 2.670 20 0 CFADRP c1nc(C[NH2+]CCCCCCC[NH+]2CCCC2)co1 ZINC000758346089 626589144 /nfs/dbraw/zinc/58/91/44/626589144.db2.gz IHACSCNXWVXXMC-UHFFFAOYSA-N 2 0 265.401 2.811 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC000759976942 626706232 /nfs/dbraw/zinc/70/62/32/626706232.db2.gz NAVTZUTVDGCUJZ-ZDUSSCGKSA-N 2 0 252.427 2.707 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOCc2ccccc2)[C@@H](C)C1 ZINC000764697055 627085049 /nfs/dbraw/zinc/08/50/49/627085049.db2.gz ULNALDHOJZSUSH-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+](C)C)C1 ZINC000765485064 627141339 /nfs/dbraw/zinc/14/13/39/627141339.db2.gz HPKHRLGBOPJFFO-ZDUSSCGKSA-N 2 0 285.391 2.774 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000765485906 627141661 /nfs/dbraw/zinc/14/16/61/627141661.db2.gz MIMQQMZVDUDCMX-CQSZACIVSA-N 2 0 297.402 2.918 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000765781120 627157235 /nfs/dbraw/zinc/15/72/35/627157235.db2.gz UOQLORVQBDSUBP-QGZVFWFLSA-N 2 0 258.409 2.914 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2COc3c2cccc3Cl)CC1 ZINC000765784523 627157616 /nfs/dbraw/zinc/15/76/16/627157616.db2.gz RCWHKZMNKURTSL-CQSZACIVSA-N 2 0 280.799 2.705 20 0 CFADRP C[C@@H]1CCC[N@@H+]1CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000766274881 627190145 /nfs/dbraw/zinc/19/01/45/627190145.db2.gz WOUMHJCNIPXVEH-MRXNPFEDSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cnccn1 ZINC000766513941 627206814 /nfs/dbraw/zinc/20/68/14/627206814.db2.gz UIBSQFLMNQEVSI-FHERZECASA-N 2 0 288.439 2.924 20 0 CFADRP CCCCC[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000766604280 627211056 /nfs/dbraw/zinc/21/10/56/627211056.db2.gz YKUHMTCFMKUWFH-HNNXBMFYSA-N 2 0 270.461 2.780 20 0 CFADRP CCCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000766604281 627211246 /nfs/dbraw/zinc/21/12/46/627211246.db2.gz YKUHMTCFMKUWFH-OAHLLOKOSA-N 2 0 270.461 2.780 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000767349648 627244319 /nfs/dbraw/zinc/24/43/19/627244319.db2.gz USOBWOFNLLANFA-GASCZTMLSA-N 2 0 294.439 2.875 20 0 CFADRP FC(F)OCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000851864747 634562387 /nfs/dbraw/zinc/56/23/87/634562387.db2.gz JKSOSHDTMAKFBV-UHFFFAOYSA-N 2 0 290.398 2.814 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCCSC2)C1 ZINC000769013986 627395683 /nfs/dbraw/zinc/39/56/83/627395683.db2.gz SZRVLVMMGSVQRK-KFWWJZLASA-N 2 0 270.486 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000773010457 627768331 /nfs/dbraw/zinc/76/83/31/627768331.db2.gz LHZGEXWVROKDBB-VBNZEHGJSA-N 2 0 296.842 2.693 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCC1 ZINC000852007392 634625141 /nfs/dbraw/zinc/62/51/41/634625141.db2.gz MUYJMEBZSYASAM-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000777128521 628202498 /nfs/dbraw/zinc/20/24/98/628202498.db2.gz BDEULFFOLFJWKH-VIKVFOODSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000779343367 628375362 /nfs/dbraw/zinc/37/53/62/628375362.db2.gz XHLCZPXGYZKEPN-CVEARBPZSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000779387055 628378072 /nfs/dbraw/zinc/37/80/72/628378072.db2.gz FJSDTGGURXMLRA-INIZCTEOSA-N 2 0 290.451 2.779 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000780289670 628451327 /nfs/dbraw/zinc/45/13/27/628451327.db2.gz PNCQVQXFCVDLGN-WBVHZDCISA-N 2 0 272.436 2.990 20 0 CFADRP CCc1noc(C)c1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000780744030 628492481 /nfs/dbraw/zinc/49/24/81/628492481.db2.gz CWWWWZOYNIATBD-GFCCVEGCSA-N 2 0 279.428 2.928 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000783228623 628688994 /nfs/dbraw/zinc/68/89/94/628688994.db2.gz ATCMGUNIDHLKIF-ZFWWWQNUSA-N 2 0 262.397 2.515 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000783518884 628715268 /nfs/dbraw/zinc/71/52/68/628715268.db2.gz PEKCIGWAQRIZPN-GJZGRUSLSA-N 2 0 270.486 2.840 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]C[C@@H]1CCSC1 ZINC000785440047 628883522 /nfs/dbraw/zinc/88/35/22/628883522.db2.gz ZIBYCFURCFLUCH-AWEZNQCLSA-N 2 0 258.475 2.841 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(F)nc2C)CC1 ZINC000785454859 628884374 /nfs/dbraw/zinc/88/43/74/628884374.db2.gz DPKHMYXPDXHEMT-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000788480623 629073460 /nfs/dbraw/zinc/07/34/60/629073460.db2.gz BRPPTAQWSUZUBN-HUUCEWRRSA-N 2 0 270.486 2.934 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000790749616 629259814 /nfs/dbraw/zinc/25/98/14/629259814.db2.gz ZHBOHEGKAKKTJD-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000796731130 629957072 /nfs/dbraw/zinc/95/70/72/629957072.db2.gz VADOOZXFKOCZGK-AOIWGVFYSA-N 2 0 299.462 2.512 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000796775247 629964092 /nfs/dbraw/zinc/96/40/92/629964092.db2.gz JRAPMZLIUGANMJ-ZQNQSHIBSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925487657 634793207 /nfs/dbraw/zinc/79/32/07/634793207.db2.gz NFERGMNAHSRDCM-ZOBUZTSGSA-N 2 0 289.467 2.846 20 0 CFADRP Cc1noc(C)c1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178126 630283853 /nfs/dbraw/zinc/28/38/53/630283853.db2.gz MDZBEQXBJFFEDO-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ncc(Cl)n1C ZINC000799334719 630299492 /nfs/dbraw/zinc/29/94/92/630299492.db2.gz YPOWUQVSKUYXPB-CYBMUJFWSA-N 2 0 298.862 2.818 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000799334492 630299877 /nfs/dbraw/zinc/29/98/77/630299877.db2.gz NXRMYZYOXPPWNA-ZDUSSCGKSA-N 2 0 298.862 2.675 20 0 CFADRP ClC(Cl)=CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000852749341 634817622 /nfs/dbraw/zinc/81/76/22/634817622.db2.gz KVEXQPFVZIGFNV-WDEREUQCSA-N 2 0 263.212 2.627 20 0 CFADRP CO[C@@H](C[N@H+](C)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000852740364 634818453 /nfs/dbraw/zinc/81/84/53/634818453.db2.gz CJIHSXDEGWVDOM-GPANFISMSA-N 2 0 268.445 2.783 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000802309258 630525851 /nfs/dbraw/zinc/52/58/51/630525851.db2.gz PPCZNFHXXJUOGK-XFUXHWRQSA-N 2 0 280.456 2.795 20 0 CFADRP CC[N@H+](CCc1ccccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000852747121 634822190 /nfs/dbraw/zinc/82/21/90/634822190.db2.gz XKGZXRPXKKBJAS-UHFFFAOYSA-N 2 0 295.430 2.792 20 0 CFADRP ClC(Cl)=CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000852748805 634823780 /nfs/dbraw/zinc/82/37/80/634823780.db2.gz DVHWKOZCNYYJTK-LLVKDONJSA-N 2 0 263.212 2.627 20 0 CFADRP [NH3+]CCCCCCCN1C[C@H]([NH3+])CCc2ccccc21 ZINC000852755154 634825909 /nfs/dbraw/zinc/82/59/09/634825909.db2.gz FCRFEJZTNVVLMG-MRXNPFEDSA-N 2 0 275.440 2.676 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC=C(Cl)Cl)C2)C1 ZINC000852752992 634826223 /nfs/dbraw/zinc/82/62/23/634826223.db2.gz SUXBEWWGDAKZGG-QJPTWQEYSA-N 2 0 293.238 2.524 20 0 CFADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCCCCC[NH3+])cn1 ZINC000852759202 634826706 /nfs/dbraw/zinc/82/67/06/634826706.db2.gz LDJKEWGQGAIFOM-DLBZAZTESA-N 2 0 292.471 2.630 20 0 CFADRP [NH3+]CCCCCCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852762391 634827678 /nfs/dbraw/zinc/82/76/78/634827678.db2.gz MENKGJZHPBUONG-CALCHBBNSA-N 2 0 280.456 2.788 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126711 630805521 /nfs/dbraw/zinc/80/55/21/630805521.db2.gz VHIIHFINSASUFQ-STQMWFEESA-N 2 0 279.815 2.557 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H](O)c1ccccc1 ZINC000808720477 631035631 /nfs/dbraw/zinc/03/56/31/631035631.db2.gz WGJWQPHAHIXSDY-KDOFPFPSSA-N 2 0 288.435 2.573 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000809632847 631252000 /nfs/dbraw/zinc/25/20/00/631252000.db2.gz YHXVBADFHUPKLD-STQMWFEESA-N 2 0 299.484 2.797 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000841009357 631303403 /nfs/dbraw/zinc/30/34/03/631303403.db2.gz NKAQQYMCQPLOGB-OAHLLOKOSA-N 2 0 290.432 2.633 20 0 CFADRP Cc1cccc([C@H](O)C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000841022424 631308206 /nfs/dbraw/zinc/30/82/06/631308206.db2.gz TUOISFFRPZCGIK-LJQANCHMSA-N 2 0 298.430 2.879 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000841029003 631311353 /nfs/dbraw/zinc/31/13/53/631311353.db2.gz DGIZYCHOBQJFLX-CVEARBPZSA-N 2 0 276.424 2.919 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000841033473 631313489 /nfs/dbraw/zinc/31/34/89/631313489.db2.gz OQIJPPSJBXGBRS-LJQANCHMSA-N 2 0 280.415 2.835 20 0 CFADRP CC1(C[NH2+]Cc2cncc3ccccc32)CC[NH2+]CC1 ZINC000841056151 631324661 /nfs/dbraw/zinc/32/46/61/631324661.db2.gz CXSDWOKERUWYFR-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP c1ccc2ncc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2c1 ZINC000841073727 631331219 /nfs/dbraw/zinc/33/12/19/631331219.db2.gz WTQIFVPSAASFAQ-MRXNPFEDSA-N 2 0 269.392 2.857 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000841085810 631333751 /nfs/dbraw/zinc/33/37/51/631333751.db2.gz BLPKOWYQZLTYOG-QGZVFWFLSA-N 2 0 294.402 2.904 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1COC2 ZINC000841086534 631335614 /nfs/dbraw/zinc/33/56/14/631335614.db2.gz KKNLPVSNVNEROM-QAPCUYQASA-N 2 0 286.419 2.681 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089538 631337199 /nfs/dbraw/zinc/33/71/99/631337199.db2.gz ODWBZQLNKVJRPN-MRXNPFEDSA-N 2 0 281.403 2.999 20 0 CFADRP Cc1cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nc(N)[nH+]1 ZINC000811845932 631632584 /nfs/dbraw/zinc/63/25/84/631632584.db2.gz FECYIOMJWUBDIS-CZUORRHYSA-N 2 0 299.422 2.779 20 0 CFADRP C[C@H](O)C[N@H+](CCCCCCC[NH3+])C1CCCCC1 ZINC000842472175 631637172 /nfs/dbraw/zinc/63/71/72/631637172.db2.gz UNKIRNMGOYNMMY-HNNXBMFYSA-N 2 0 270.461 2.911 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000842472065 631639106 /nfs/dbraw/zinc/63/91/06/631639106.db2.gz OYCOTTAEHMFMSQ-UHFFFAOYSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000842471768 631639554 /nfs/dbraw/zinc/63/95/54/631639554.db2.gz YGPZOCQMRXMSDV-HUUCEWRRSA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccc(C[N@H+](C)CCCCCCC[NH3+])cc1O ZINC000842472070 631639679 /nfs/dbraw/zinc/63/96/79/631639679.db2.gz PPQAIFSVMTZHHC-UHFFFAOYSA-N 2 0 280.412 2.742 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000842476236 631640733 /nfs/dbraw/zinc/64/07/33/631640733.db2.gz JVBGHLGNZCVAKV-OAHLLOKOSA-N 2 0 261.413 2.780 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000842515523 631650570 /nfs/dbraw/zinc/65/05/70/631650570.db2.gz RHBYUXBMULLJOG-UHFFFAOYSA-N 2 0 291.439 2.904 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000843044368 631811404 /nfs/dbraw/zinc/81/14/04/631811404.db2.gz GZZQTJQANFHMBC-VQHPVUNQSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH2+]C[C@@H]1CCCN(Cc2cc3cccc(OC)c3o2)C1 ZINC000843045404 631811820 /nfs/dbraw/zinc/81/18/20/631811820.db2.gz WNUBWHHKHVGAHT-ZDUSSCGKSA-N 2 0 288.391 2.873 20 0 CFADRP C[N@H+](Cc1cnc(-c2ccccc2)nc1)C1CCC([NH3+])CC1 ZINC000843055695 631818337 /nfs/dbraw/zinc/81/83/37/631818337.db2.gz KRUYZKHWFXYCFB-UHFFFAOYSA-N 2 0 296.418 2.845 20 0 CFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)C1CCC([NH3+])CC1 ZINC000843054788 631818601 /nfs/dbraw/zinc/81/86/01/631818601.db2.gz HTNJOKBALKCGMI-UHFFFAOYSA-N 2 0 290.436 2.636 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000843104174 631835527 /nfs/dbraw/zinc/83/55/27/631835527.db2.gz GUVFLYMKLAGYMG-UHFFFAOYSA-N 2 0 267.442 2.800 20 0 CFADRP COc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1OC(C)C ZINC000843107072 631837756 /nfs/dbraw/zinc/83/77/56/631837756.db2.gz PQNVEGCDTZPSRF-UHFFFAOYSA-N 2 0 292.423 2.842 20 0 CFADRP c1ccc2c(c1)ccnc2C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843117742 631839990 /nfs/dbraw/zinc/83/99/90/631839990.db2.gz TZQJLKWQIIXMKN-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843119059 631840307 /nfs/dbraw/zinc/84/03/07/631840307.db2.gz VBWFORVFNSPEGT-YJBOKZPZSA-N 2 0 286.419 2.628 20 0 CFADRP C(c1nc2c(s1)CCCC2)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843119931 631841072 /nfs/dbraw/zinc/84/10/72/631841072.db2.gz OTZAONLLNRQVEI-UHFFFAOYSA-N 2 0 291.464 2.597 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1COC2 ZINC000843124400 631844212 /nfs/dbraw/zinc/84/42/12/631844212.db2.gz AEMHKUMPQANDNN-HZPDHXFCSA-N 2 0 286.419 2.538 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000843125338 631844659 /nfs/dbraw/zinc/84/46/59/631844659.db2.gz SOJDROJYVIITIA-ZIAGYGMSSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843127445 631846295 /nfs/dbraw/zinc/84/62/95/631846295.db2.gz PGOXSVXKRXTRIM-SJLPKXTDSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000843127535 631846307 /nfs/dbraw/zinc/84/63/07/631846307.db2.gz DVOFUIIHFBRVAR-IAGOWNOFSA-N 2 0 275.440 2.588 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cnc1Cl ZINC000843126616 631846817 /nfs/dbraw/zinc/84/68/17/631846817.db2.gz LUMWECVJOWALOQ-OAHLLOKOSA-N 2 0 293.842 2.865 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843127885 631847944 /nfs/dbraw/zinc/84/79/44/631847944.db2.gz RPTRZOMKXLZUJZ-AEFFLSMTSA-N 2 0 289.467 2.616 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCCCCC[NH3+] ZINC000843128695 631847960 /nfs/dbraw/zinc/84/79/60/631847960.db2.gz ZNGQHEFYWKAFBY-AWEZNQCLSA-N 2 0 288.439 2.993 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc12 ZINC000843127943 631848028 /nfs/dbraw/zinc/84/80/28/631848028.db2.gz USEGKKVDYOMKNY-NVXWUHKLSA-N 2 0 298.434 2.775 20 0 CFADRP Cn1cc(-c2ccc(C[NH2+]CCCCCC[NH3+])s2)cn1 ZINC000843129885 631848899 /nfs/dbraw/zinc/84/88/99/631848899.db2.gz SRUISKXRVBZSSX-UHFFFAOYSA-N 2 0 292.452 2.757 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000843129741 631849016 /nfs/dbraw/zinc/84/90/16/631849016.db2.gz ZJPSPJBNBJCCKI-PMPSAXMXSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](c1nc(CC2CC[NH2+]CC2)no1)[NH+]1CCCCCC1 ZINC000843136396 631853246 /nfs/dbraw/zinc/85/32/46/631853246.db2.gz XDGKXIHECJDHLD-CYBMUJFWSA-N 2 0 292.427 2.549 20 0 CFADRP [NH3+][C@H]1C[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000843182256 631885022 /nfs/dbraw/zinc/88/50/22/631885022.db2.gz ZXEIXZFRZTZBFQ-GASCZTMLSA-N 2 0 298.390 2.537 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCCCC[NH3+] ZINC000843341340 631931174 /nfs/dbraw/zinc/93/11/74/631931174.db2.gz IIGKRICFZPAEMY-OAHLLOKOSA-N 2 0 280.387 2.930 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843340477 631931230 /nfs/dbraw/zinc/93/12/30/631931230.db2.gz MZDJDLGRWCMHPT-OWCLPIDISA-N 2 0 258.409 2.781 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCCCC[NH3+])cc1OC ZINC000843341466 631931470 /nfs/dbraw/zinc/93/14/70/631931470.db2.gz FNHKKDTZJSCZJL-ZDUSSCGKSA-N 2 0 280.412 2.874 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843341197 631931583 /nfs/dbraw/zinc/93/15/83/631931583.db2.gz HJGQQJBVHWRVJW-CABCVRRESA-N 2 0 278.444 2.555 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1cccnc1Cl ZINC000843340814 631931661 /nfs/dbraw/zinc/93/16/61/631931661.db2.gz FGXREZVMGZZXSV-LLVKDONJSA-N 2 0 255.793 2.905 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843342848 631932174 /nfs/dbraw/zinc/93/21/74/631932174.db2.gz QMJWKYWSVVBYGO-BFHYXJOUSA-N 2 0 262.372 2.612 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000843342437 631932438 /nfs/dbraw/zinc/93/24/38/631932438.db2.gz QQPGNRDKGXZYOB-HRCADAONSA-N 2 0 268.445 2.690 20 0 CFADRP C(C[N@H+](C1CC1)C1CC[NH2+]CC1)OC1CCCCCC1 ZINC000843347137 631932971 /nfs/dbraw/zinc/93/29/71/631932971.db2.gz SMGKRSBOFBZYMK-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000843343455 631933074 /nfs/dbraw/zinc/93/30/74/631933074.db2.gz URLYGDLUDFJEFN-HNNXBMFYSA-N 2 0 250.361 2.922 20 0 CFADRP c1csc(CC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843346538 631933090 /nfs/dbraw/zinc/93/30/90/631933090.db2.gz PNQYQXOMPLUTSM-UHFFFAOYSA-N 2 0 250.411 2.507 20 0 CFADRP CC[C@H]1C[N@H+](CCOC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000843377857 631941658 /nfs/dbraw/zinc/94/16/58/631941658.db2.gz VURQUDKECVYMGK-HOCLYGCPSA-N 2 0 268.445 2.785 20 0 CFADRP Clc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000843385754 631942195 /nfs/dbraw/zinc/94/21/95/631942195.db2.gz VSDSFOKGCWCRDS-ZDUSSCGKSA-N 2 0 279.815 2.557 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843386484 631942599 /nfs/dbraw/zinc/94/25/99/631942599.db2.gz JZHUDKUBAPWIIO-NSHDSACASA-N 2 0 277.239 2.646 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000843388633 631943312 /nfs/dbraw/zinc/94/33/12/631943312.db2.gz UZJMVYCRVXQQNI-CHWSQXEVSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cnn(-c2ccccc2)c1 ZINC000156173342 650046582 /nfs/dbraw/zinc/04/65/82/650046582.db2.gz DFSFYECKVPSGDX-HNNXBMFYSA-N 2 0 286.423 2.865 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)CCCC[NH+]2CCCC2)c1 ZINC000844200963 632133624 /nfs/dbraw/zinc/13/36/24/632133624.db2.gz JCILSDSGIPCFQI-UHFFFAOYSA-N 2 0 289.423 2.658 20 0 CFADRP C[N@H+](Cc1cccc2c1CCC2)C1CCC([NH3+])CC1 ZINC000844900803 632331253 /nfs/dbraw/zinc/33/12/53/632331253.db2.gz BYDANITYHTYAQT-UHFFFAOYSA-N 2 0 258.409 2.877 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000844904797 632331729 /nfs/dbraw/zinc/33/17/29/632331729.db2.gz QZDXOMJQUSCMAK-HIFRSBDPSA-N 2 0 280.387 2.579 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000844922190 632337290 /nfs/dbraw/zinc/33/72/90/632337290.db2.gz LZGHFPBEHAAOJH-ZDUSSCGKSA-N 2 0 262.397 2.865 20 0 CFADRP C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)[C@H]1CCCC[NH2+]1 ZINC000844923914 632337799 /nfs/dbraw/zinc/33/77/99/632337799.db2.gz UZCMLYOFFQOIRE-RNJOBUHISA-N 2 0 262.800 2.811 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844926998 632339657 /nfs/dbraw/zinc/33/96/57/632339657.db2.gz YGCIZNWAAKAOGN-UTUOFQBUSA-N 2 0 279.255 2.938 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000844926233 632339710 /nfs/dbraw/zinc/33/97/10/632339710.db2.gz YBUCCXSOHONWIE-DZGCQCFKSA-N 2 0 250.361 2.809 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000845996009 632610118 /nfs/dbraw/zinc/61/01/18/632610118.db2.gz IYIDTZZPHPUHMH-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000846037161 632620145 /nfs/dbraw/zinc/62/01/45/632620145.db2.gz YZMKCKMNDWZEKU-CHWSQXEVSA-N 2 0 262.800 2.765 20 0 CFADRP CC[N@H+](CCCCCC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000846217161 632663026 /nfs/dbraw/zinc/66/30/26/632663026.db2.gz BNHFPZBBKHHZFL-UHFFFAOYSA-N 2 0 278.396 2.756 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])C[C@H](c2ccccc2)O1 ZINC000846217793 632664447 /nfs/dbraw/zinc/66/44/47/632664447.db2.gz BWGAOBHAUAQVKX-DOTOQJQBSA-N 2 0 276.424 2.968 20 0 CFADRP [NH3+]CCCCCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000846217873 632664806 /nfs/dbraw/zinc/66/48/06/632664806.db2.gz HPIVTXSLDQSFLR-SFHVURJKSA-N 2 0 290.451 2.877 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000846219200 632665801 /nfs/dbraw/zinc/66/58/01/632665801.db2.gz KEJXEYWKRNFYIM-KGLIPLIRSA-N 2 0 256.459 2.866 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000846220773 632667596 /nfs/dbraw/zinc/66/75/96/632667596.db2.gz PUTAAJBUOZSYOP-UHFFFAOYSA-N 2 0 250.361 2.703 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000846220758 632667653 /nfs/dbraw/zinc/66/76/53/632667653.db2.gz PQKFNENWSHVELU-GOSISDBHSA-N 2 0 290.451 2.839 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc3C2)c2ccccc21 ZINC000817891227 632718659 /nfs/dbraw/zinc/71/86/59/632718659.db2.gz IMYFMFHCQVKDBC-FSPWUOQZSA-N 2 0 294.398 2.972 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000817891308 632718785 /nfs/dbraw/zinc/71/87/85/632718785.db2.gz JXSGJLRYRXEQLW-MGPQQGTHSA-N 2 0 279.815 2.745 20 0 CFADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000817894632 632720528 /nfs/dbraw/zinc/72/05/28/632720528.db2.gz OFHAMMBEQVXSTI-PBHICJAKSA-N 2 0 294.439 2.614 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817895443 632721018 /nfs/dbraw/zinc/72/10/18/632721018.db2.gz VANOARCEEHPHMS-HNONPPJISA-N 2 0 288.435 2.750 20 0 CFADRP CSC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817898293 632721917 /nfs/dbraw/zinc/72/19/17/632721917.db2.gz DYJIMSKDHYAOOV-GXTWGEPZSA-N 2 0 266.454 2.676 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817898689 632723438 /nfs/dbraw/zinc/72/34/38/632723438.db2.gz ACKCGHCBCZAHQQ-FOIPXRHGSA-N 3 0 293.499 2.904 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901074 632725319 /nfs/dbraw/zinc/72/53/19/632725319.db2.gz SDABWZATZOJVRJ-FCCDEINASA-N 3 0 293.499 2.891 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817901472 632725489 /nfs/dbraw/zinc/72/54/89/632725489.db2.gz VXJZFPLZSAPFAH-IXDOHACOSA-N 2 0 286.350 2.594 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)SC ZINC000817901824 632725994 /nfs/dbraw/zinc/72/59/94/632725994.db2.gz XYVKRRLOANBTIL-STQMWFEESA-N 2 0 258.475 2.886 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817902417 632726062 /nfs/dbraw/zinc/72/60/62/632726062.db2.gz QHMRBUIJUCARTQ-GDBMZVCRSA-N 2 0 275.440 2.620 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904673 632727071 /nfs/dbraw/zinc/72/70/71/632727071.db2.gz GFZZEJDTQCCVFR-GBESFXJTSA-N 2 0 298.430 2.980 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904919 632728033 /nfs/dbraw/zinc/72/80/33/632728033.db2.gz HQYUXDPWMGOOAB-KBXCAEBGSA-N 2 0 286.419 2.980 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000817905842 632728055 /nfs/dbraw/zinc/72/80/55/632728055.db2.gz UVIZGFNPUJWNIM-IJEWVQPXSA-N 2 0 264.413 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@H](O)c1ccccc1 ZINC000817905843 632728480 /nfs/dbraw/zinc/72/84/80/632728480.db2.gz UVIZGFNPUJWNIM-YCPHGPKFSA-N 2 0 264.413 2.606 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817910491 632730132 /nfs/dbraw/zinc/73/01/32/632730132.db2.gz UFIBQVJWLICLGG-FZKQIMNGSA-N 2 0 299.418 2.541 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817910800 632730303 /nfs/dbraw/zinc/73/03/03/632730303.db2.gz YZKREANEINYORI-ATZDWAIDSA-N 2 0 298.430 2.577 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817913151 632731017 /nfs/dbraw/zinc/73/10/17/632731017.db2.gz GCDGQQGBJJALJE-HOTGVXAUSA-N 3 0 267.461 2.502 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000817911502 632731160 /nfs/dbraw/zinc/73/11/60/632731160.db2.gz AADOGUJQYXWHKP-AGIUHOORSA-N 2 0 270.442 2.667 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000817914912 632731847 /nfs/dbraw/zinc/73/18/47/632731847.db2.gz CHJAXESQWCTTNY-KFWWJZLASA-N 2 0 279.453 2.504 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000817914381 632731980 /nfs/dbraw/zinc/73/19/80/632731980.db2.gz VOZONSURTHLOGH-VNQPRFMTSA-N 2 0 296.480 2.856 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000817914401 632732312 /nfs/dbraw/zinc/73/23/12/632732312.db2.gz WCJGNILHNJIBCF-VHDGCEQUSA-N 2 0 280.412 2.522 20 0 CFADRP Cc1ncc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000817915955 632732508 /nfs/dbraw/zinc/73/25/08/632732508.db2.gz SPZIJKHFQLVPOC-BLLLJJGKSA-N 2 0 289.448 2.542 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCc3ccccc32)c2ccccc21 ZINC000817918083 632733361 /nfs/dbraw/zinc/73/33/61/632733361.db2.gz SPSOTKBYVANOMG-GUDVDZBRSA-N 2 0 294.398 2.555 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCc3ccccc32)c2ccccc21 ZINC000817918085 632733691 /nfs/dbraw/zinc/73/36/91/632733691.db2.gz SPSOTKBYVANOMG-QRVBRYPASA-N 2 0 294.398 2.555 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817922760 632735912 /nfs/dbraw/zinc/73/59/12/632735912.db2.gz LNZRHGWOZNAHEQ-IUODEOHRSA-N 2 0 284.831 2.655 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000817925586 632737908 /nfs/dbraw/zinc/73/79/08/632737908.db2.gz YILHKKVDPWRXDI-UHFFFAOYSA-N 2 0 276.424 2.521 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000817928114 632738759 /nfs/dbraw/zinc/73/87/59/632738759.db2.gz YFXRAINWHJDSTO-YGRLFVJLSA-N 2 0 288.794 2.620 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1(Cl)Cl ZINC000817936105 632741991 /nfs/dbraw/zinc/74/19/91/632741991.db2.gz GOUQBXKCOVNMBK-GARJFASQSA-N 2 0 265.228 2.677 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817965006 632763214 /nfs/dbraw/zinc/76/32/14/632763214.db2.gz MLWLBTAFTMRVTJ-DYVFJYSZSA-N 2 0 274.408 2.662 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817966992 632766472 /nfs/dbraw/zinc/76/64/72/632766472.db2.gz BHFUWJMNYYTIRH-CQSZACIVSA-N 2 0 296.418 2.751 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817967692 632766620 /nfs/dbraw/zinc/76/66/20/632766620.db2.gz BAEFMVMJKUGISI-OCCSQVGLSA-N 2 0 250.361 2.927 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C1 ZINC000817970403 632768817 /nfs/dbraw/zinc/76/88/17/632768817.db2.gz UVCVDLDZCWEBMT-NALMEZQBSA-N 2 0 288.435 2.676 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000817976686 632774228 /nfs/dbraw/zinc/77/42/28/632774228.db2.gz RDTYOQORKWRDTE-WMLDXEAASA-N 2 0 296.418 2.665 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000817976687 632774438 /nfs/dbraw/zinc/77/44/38/632774438.db2.gz RDTYOQORKWRDTE-YOEHRIQHSA-N 2 0 296.418 2.665 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000817977161 632775245 /nfs/dbraw/zinc/77/52/45/632775245.db2.gz CSZRZJXJZYVNNQ-SFYZADRCSA-N 2 0 292.246 2.684 20 0 CFADRP CCCCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000817980575 632776877 /nfs/dbraw/zinc/77/68/77/632776877.db2.gz CIGRYWBUZUBFOH-HUUCEWRRSA-N 2 0 270.461 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000817985257 632782096 /nfs/dbraw/zinc/78/20/96/632782096.db2.gz ILEFVECDTMOIKW-WBQNTZJQSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)nc1 ZINC000817986909 632782178 /nfs/dbraw/zinc/78/21/78/632782178.db2.gz OHOOWYQBOLUBRN-IGHBBLSQSA-N 2 0 279.815 2.774 20 0 CFADRP Cc1ccccc1OCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818341268 632832631 /nfs/dbraw/zinc/83/26/31/632832631.db2.gz YGZFODOZWRCKLN-MRXNPFEDSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC000840367799 632906586 /nfs/dbraw/zinc/90/65/86/632906586.db2.gz CQDBHJXAHKLGGA-OAHLLOKOSA-N 2 0 267.376 2.792 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000818990372 632923957 /nfs/dbraw/zinc/92/39/57/632923957.db2.gz IUKTZKVDAQITOK-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccccc1)C(C)(C)C ZINC000819081511 632956840 /nfs/dbraw/zinc/95/68/40/632956840.db2.gz LTOVATNCLQVXML-HOTGVXAUSA-N 2 0 278.440 2.676 20 0 CFADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000819101538 632965404 /nfs/dbraw/zinc/96/54/04/632965404.db2.gz ANEFDVFBWFEFEE-CJNGLKHVSA-N 2 0 296.430 2.733 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000819152546 632987129 /nfs/dbraw/zinc/98/71/29/632987129.db2.gz WQGYEYJIVROLQW-SJLPKXTDSA-N 2 0 290.451 2.596 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1 ZINC000819226699 633026828 /nfs/dbraw/zinc/02/68/28/633026828.db2.gz IVFFCCXXSICRAJ-KRWDZBQOSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CCCC1 ZINC000819228240 633029054 /nfs/dbraw/zinc/02/90/54/633029054.db2.gz RJEHKIWGEGGFBA-MRXNPFEDSA-N 2 0 294.414 2.571 20 0 CFADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000819252826 633040155 /nfs/dbraw/zinc/04/01/55/633040155.db2.gz YGSWKXXCFXCKMQ-IBGZPJMESA-N 2 0 298.430 2.614 20 0 CFADRP CC(C)(C[NH2+]C[C@H](O)c1ccccc1F)C[NH+]1CCCC1 ZINC000819259403 633043094 /nfs/dbraw/zinc/04/30/94/633043094.db2.gz JAUJLGCWVBKEIK-INIZCTEOSA-N 2 0 294.414 2.571 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819366417 633132952 /nfs/dbraw/zinc/13/29/52/633132952.db2.gz PNAHHNHKIVRVED-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819366165 633132993 /nfs/dbraw/zinc/13/29/93/633132993.db2.gz KIESZYYNIQAYQY-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(-c2ccccc2)c1 ZINC000848557731 633288778 /nfs/dbraw/zinc/28/87/78/633288778.db2.gz JTVWZEGAUWTHFR-RKVPGOIHSA-N 2 0 298.434 2.863 20 0 CFADRP c1[nH]nc2cc(C[NH2+][C@H]3CCCN4CCCC[C@@H]34)ccc12 ZINC000848574818 633293763 /nfs/dbraw/zinc/29/37/63/633293763.db2.gz IYDJLFFXRGMFEJ-RDJZCZTQSA-N 2 0 284.407 2.669 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848716891 633322958 /nfs/dbraw/zinc/32/29/58/633322958.db2.gz KTXMTFANGYIBFV-GVDBMIGSSA-N 2 0 290.451 2.877 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848720664 633324706 /nfs/dbraw/zinc/32/47/06/633324706.db2.gz QODPOYOGBVZEDX-WCXIOVBPSA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c21 ZINC000848722409 633325680 /nfs/dbraw/zinc/32/56/80/633325680.db2.gz MQRHXBGIPJHAOH-ZIAGYGMSSA-N 2 0 287.407 2.579 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000857253549 635957046 /nfs/dbraw/zinc/95/70/46/635957046.db2.gz OZNRWGXTQMEBRW-FIQHERPVSA-N 2 0 277.239 2.548 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857252896 635957269 /nfs/dbraw/zinc/95/72/69/635957269.db2.gz FTFYOLPGWXDQAY-GMTAPVOTSA-N 2 0 265.228 2.548 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982119 633414743 /nfs/dbraw/zinc/41/47/43/633414743.db2.gz AHCPTVOYWVUMIS-CYBMUJFWSA-N 2 0 268.449 2.553 20 0 CFADRP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[NH+](C)C)cc1 ZINC000848989950 633419254 /nfs/dbraw/zinc/41/92/54/633419254.db2.gz NDZVVAWSNVRONI-UHFFFAOYSA-N 2 0 292.427 2.752 20 0 CFADRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000848996057 633451166 /nfs/dbraw/zinc/45/11/66/633451166.db2.gz AZKFHNDTFXAKBM-HNNXBMFYSA-N 2 0 288.439 2.916 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000849003196 633455079 /nfs/dbraw/zinc/45/50/79/633455079.db2.gz UTVRLSJRJMNISH-GJZGRUSLSA-N 2 0 290.455 2.809 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])NC1CCC1)c1ccccc1 ZINC000849006033 633456782 /nfs/dbraw/zinc/45/67/82/633456782.db2.gz MYKGUYYATZHNJG-ZDUSSCGKSA-N 2 0 288.439 2.782 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000849040981 633476750 /nfs/dbraw/zinc/47/67/50/633476750.db2.gz GNSLFUTXJKKCJN-HNNXBMFYSA-N 2 0 288.439 2.972 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000849040982 633476824 /nfs/dbraw/zinc/47/68/24/633476824.db2.gz GNSLFUTXJKKCJN-OAHLLOKOSA-N 2 0 288.439 2.972 20 0 CFADRP Cc1ccc(CNC(=[NH2+])NCCC[N@@H+](C)CC(C)C)cc1 ZINC000849047125 633479773 /nfs/dbraw/zinc/47/97/73/633479773.db2.gz RBIVBARJWOHLEY-UHFFFAOYSA-N 2 0 290.455 2.587 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000849061572 633482507 /nfs/dbraw/zinc/48/25/07/633482507.db2.gz OGSZLURWMWZKQE-LSDHHAIUSA-N 2 0 282.476 2.799 20 0 CFADRP CC(C)C[C@@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCCC1 ZINC000849057254 633482577 /nfs/dbraw/zinc/48/25/77/633482577.db2.gz GDXMNANIRVPVME-INIZCTEOSA-N 2 0 294.487 2.944 20 0 CFADRP CC(C)CCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000849064640 633483135 /nfs/dbraw/zinc/48/31/35/633483135.db2.gz ULTNCKYTTKHDRO-GJZGRUSLSA-N 2 0 296.503 2.903 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC1CCCCC1 ZINC000849061892 633483265 /nfs/dbraw/zinc/48/32/65/633483265.db2.gz ZQEKUZLYRMJWRB-INIZCTEOSA-N 2 0 294.487 2.945 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000850448938 633998258 /nfs/dbraw/zinc/99/82/58/633998258.db2.gz SKSZKFHVGAXKQN-AWEZNQCLSA-N 2 0 286.419 2.924 20 0 CFADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850584294 634060274 /nfs/dbraw/zinc/06/02/74/634060274.db2.gz QMPNPMOHPYDJNA-YOEHRIQHSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000850585631 634062121 /nfs/dbraw/zinc/06/21/21/634062121.db2.gz XOSPQYRBBCULBR-AWEZNQCLSA-N 2 0 290.455 2.501 20 0 CFADRP C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000925487113 634287232 /nfs/dbraw/zinc/28/72/32/634287232.db2.gz VTTKTTWMSHGWKI-RYRKJORJSA-N 2 0 289.467 2.787 20 0 CFADRP Cc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000853093570 634901145 /nfs/dbraw/zinc/90/11/45/634901145.db2.gz NPHKLPLTBLBKDP-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1SCCS1 ZINC000854230183 635266177 /nfs/dbraw/zinc/26/61/77/635266177.db2.gz JGBSHGWIOWXJDJ-JSGCOSHPSA-N 2 0 296.505 2.731 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000854229715 635266756 /nfs/dbraw/zinc/26/67/56/635266756.db2.gz VFVGRKFDXULWIO-IGNZVWTISA-N 2 0 297.402 2.678 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000854232274 635268305 /nfs/dbraw/zinc/26/83/05/635268305.db2.gz OTUHHHFONRLSJW-XQQFMLRXSA-N 2 0 262.397 2.788 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925488946 635534420 /nfs/dbraw/zinc/53/44/20/635534420.db2.gz HFHTXIBFOUAWIC-ZBFHGGJFSA-N 2 0 256.393 2.591 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000857254069 635956569 /nfs/dbraw/zinc/95/65/69/635956569.db2.gz XHWYKVQPTOLYHY-HBNTYKKESA-N 2 0 265.228 2.691 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COc3ccccc3C2)CC1(C)C ZINC000858090112 636121898 /nfs/dbraw/zinc/12/18/98/636121898.db2.gz LXCDIZOCVUUIPM-GOEBONIOSA-N 2 0 288.435 2.700 20 0 CFADRP Cc1cc([C@@](C)(O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC000858145352 636138576 /nfs/dbraw/zinc/13/85/76/636138576.db2.gz RQKIRBWIEPBCSH-YOEHRIQHSA-N 2 0 294.439 2.566 20 0 CFADRP CCCC[N@H+](C)CC1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858355281 636204807 /nfs/dbraw/zinc/20/48/07/636204807.db2.gz KCPSEQFZGLGCCB-UHFFFAOYSA-N 2 0 291.439 2.522 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858359282 636206660 /nfs/dbraw/zinc/20/66/60/636206660.db2.gz DRNMSMJKVWMXAC-YOEHRIQHSA-N 2 0 297.402 2.821 20 0 CFADRP Cc1ccccc1SC[C@H](C)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000859084801 636446360 /nfs/dbraw/zinc/44/63/60/636446360.db2.gz BKVWARXYGQTRSK-KBMXLJTQSA-N 2 0 290.476 2.874 20 0 CFADRP COC(C)(C)CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211848 636505957 /nfs/dbraw/zinc/50/59/57/636505957.db2.gz BDKBNSKHCSWVRH-UHFFFAOYSA-N 2 0 278.440 2.995 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3ccccc3)CC1)[NH2+]2 ZINC000925492564 636643785 /nfs/dbraw/zinc/64/37/85/636643785.db2.gz HTXWHZXNDCCWSA-IAAVTCLWSA-N 2 0 299.462 2.774 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)CC1(C)C ZINC000862367818 637338690 /nfs/dbraw/zinc/33/86/90/637338690.db2.gz VVCWQRVCLYGFLB-HZPDHXFCSA-N 2 0 276.424 2.573 20 0 CFADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](C[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000863557404 637696323 /nfs/dbraw/zinc/69/63/23/637696323.db2.gz NMNUAHSJXMFBKW-LAVFITLUSA-N 2 0 270.420 2.722 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864449774 637984101 /nfs/dbraw/zinc/98/41/01/637984101.db2.gz ANLQUIUVPCMMFI-BBRMVZONSA-N 2 0 288.439 2.551 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864452067 637984959 /nfs/dbraw/zinc/98/49/59/637984959.db2.gz FKZBAEAHKLUAAR-BBRMVZONSA-N 2 0 288.439 2.549 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865503400 638383146 /nfs/dbraw/zinc/38/31/46/638383146.db2.gz WQWHUTJNVGGCGV-SNVBAGLBSA-N 2 0 273.302 2.631 20 0 CFADRP c1nc(C[NH2+]CCCCC[NH+]2CCCC2)cn1C1CC1 ZINC000865579932 638436409 /nfs/dbraw/zinc/43/64/09/638436409.db2.gz LOZAFLIROASOIL-UHFFFAOYSA-N 2 0 276.428 2.574 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865590493 638444477 /nfs/dbraw/zinc/44/44/77/638444477.db2.gz PBLQGKNUBOSAEJ-UHFFFAOYSA-N 2 0 291.395 2.743 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865600554 638450610 /nfs/dbraw/zinc/45/06/10/638450610.db2.gz QMJUDSXDGMVPBO-NSHDSACASA-N 2 0 285.794 2.696 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865606047 638454498 /nfs/dbraw/zinc/45/44/98/638454498.db2.gz NJEQCCNLDFMIHA-UHFFFAOYSA-N 2 0 285.794 2.837 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000865716927 638531251 /nfs/dbraw/zinc/53/12/51/638531251.db2.gz IMDKRSCXHCOIMK-MSOLQXFVSA-N 3 0 293.499 2.713 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000865731876 638540642 /nfs/dbraw/zinc/54/06/42/638540642.db2.gz FHOPSPYGTIORKC-UHFFFAOYSA-N 2 0 299.340 2.809 20 0 CFADRP COC(C)(C)CC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000865755390 638554897 /nfs/dbraw/zinc/55/48/97/638554897.db2.gz URYPEBAMLSVPAU-UHFFFAOYSA-N 2 0 296.377 2.808 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000865764900 638562224 /nfs/dbraw/zinc/56/22/24/638562224.db2.gz QRJFSMKZPVQWNV-CKDBGZEDSA-N 3 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(c3ccnc4ccsc43)CC[C@@H]21 ZINC000866207555 638770550 /nfs/dbraw/zinc/77/05/50/638770550.db2.gz XIPFZRQKCJSCHL-YPMHNXCESA-N 2 0 273.405 2.827 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866207845 638770836 /nfs/dbraw/zinc/77/08/36/638770836.db2.gz XUBXSAFGKCEANM-SUMWQHHRSA-N 2 0 297.402 2.774 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000866467749 638826282 /nfs/dbraw/zinc/82/62/82/638826282.db2.gz PAOKKCQEKPIICA-YJBOKZPZSA-N 2 0 293.499 2.569 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1nccn1C ZINC000866515842 638834112 /nfs/dbraw/zinc/83/41/12/638834112.db2.gz JZOAVBNCLXABMF-NPCAHTBFSA-N 2 0 278.444 2.724 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516363 638834432 /nfs/dbraw/zinc/83/44/32/638834432.db2.gz PZARHWPREXIGAM-QQFBHYJXSA-N 2 0 278.444 2.514 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1C ZINC000866516951 638834441 /nfs/dbraw/zinc/83/44/41/638834441.db2.gz FAALLIJRZUJTBY-HLIUYOAVSA-N 2 0 278.444 2.642 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)[C@@H](C)C1 ZINC000866517039 638834461 /nfs/dbraw/zinc/83/44/61/638834461.db2.gz VGISFCQFJYVOLQ-ORBLRFAASA-N 3 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)[C@H]2CCC[C@@H]21 ZINC000866532995 638837106 /nfs/dbraw/zinc/83/71/06/638837106.db2.gz YYASZIGJZWEFHS-YVSFHVDLSA-N 2 0 292.467 2.656 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)OC1 ZINC000866665189 638862669 /nfs/dbraw/zinc/86/26/69/638862669.db2.gz DUDGTNVOCIVUPQ-GVDBMIGSSA-N 2 0 294.483 2.903 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)OC1 ZINC000866666726 638863139 /nfs/dbraw/zinc/86/31/39/638863139.db2.gz VYTVITZVDFRGRD-HRCADAONSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)CC[C@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)OC1 ZINC000866666121 638863357 /nfs/dbraw/zinc/86/33/57/638863357.db2.gz NXUYDHCBASATMW-JKSUJKDBSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000866673004 638864056 /nfs/dbraw/zinc/86/40/56/638864056.db2.gz VDJBCIOAQBCMOG-UHFFFAOYSA-N 2 0 281.469 2.917 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697723 638866873 /nfs/dbraw/zinc/86/68/73/638866873.db2.gz WQRYTXMRHTUENU-MRXNPFEDSA-N 2 0 268.445 2.929 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1CC[C@H]1CCC[NH2+]C1 ZINC000866701945 638867703 /nfs/dbraw/zinc/86/77/03/638867703.db2.gz SNHALFIZIPQNTJ-CJNGLKHVSA-N 2 0 273.424 2.675 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1CC[C@@H]1CCC[NH2+]C1 ZINC000866702040 638867760 /nfs/dbraw/zinc/86/77/60/638867760.db2.gz SNHALFIZIPQNTJ-XJKSGUPXSA-N 2 0 273.424 2.675 20 0 CFADRP Cc1ncc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866705501 638867999 /nfs/dbraw/zinc/86/79/99/638867999.db2.gz AYVXSNUDIVWWHQ-CQSZACIVSA-N 2 0 267.442 2.648 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCc2ccccc2)C1 ZINC000866705292 638868430 /nfs/dbraw/zinc/86/84/30/638868430.db2.gz WZVGPRUJBORDHP-QGZVFWFLSA-N 2 0 260.425 2.926 20 0 CFADRP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCC[NH3+])no1 ZINC000866714919 638869761 /nfs/dbraw/zinc/86/97/61/638869761.db2.gz CHYKCHSKDLZCLI-GOOCMWNKSA-N 2 0 292.427 2.608 20 0 CFADRP CCC[NH+]1CCC(CN[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925494187 638873332 /nfs/dbraw/zinc/87/33/32/638873332.db2.gz JPPLFBPULNSHHB-YJBOKZPZSA-N 3 0 289.467 2.787 20 0 CFADRP CCC[NH+]1CCC(CN[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925494183 638873361 /nfs/dbraw/zinc/87/33/61/638873361.db2.gz JPPLFBPULNSHHB-QAPCUYQASA-N 2 0 289.467 2.787 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ccc(Cl)nc2)CC1 ZINC000122668463 639305496 /nfs/dbraw/zinc/30/54/96/639305496.db2.gz DYEXYSQFSFUQJS-UHFFFAOYSA-N 2 0 281.831 2.742 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000080227727 650651805 /nfs/dbraw/zinc/65/18/05/650651805.db2.gz AKDNUBHNPGTLRQ-GFCCVEGCSA-N 2 0 266.454 2.919 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCCOC1 ZINC000872018488 641549829 /nfs/dbraw/zinc/54/98/29/641549829.db2.gz MJSDFZZUWMWQDT-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872022251 641552844 /nfs/dbraw/zinc/55/28/44/641552844.db2.gz IQLGNFZMAVMPAX-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CCCOC1 ZINC000872028347 641559297 /nfs/dbraw/zinc/55/92/97/641559297.db2.gz JHPORVSLMXEWSU-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000872030729 641560750 /nfs/dbraw/zinc/56/07/50/641560750.db2.gz BEQFUTBBQRKTDD-ULQDDVLXSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CC ZINC000872033690 641564352 /nfs/dbraw/zinc/56/43/52/641564352.db2.gz DRRKASJBPZFBCA-DOTOQJQBSA-N 2 0 295.515 2.959 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)[C@@H]2CCCOC2)CC1 ZINC000872034682 641565487 /nfs/dbraw/zinc/56/54/87/641565487.db2.gz QOXMYCWBONNPRA-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H](CC1CCCCC1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000872035652 641567401 /nfs/dbraw/zinc/56/74/01/641567401.db2.gz XVNNTHJZNHVLMK-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@@H]1CCCOC1 ZINC000872039983 641574562 /nfs/dbraw/zinc/57/45/62/641574562.db2.gz VMLMLSZUMWIICN-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000872065449 641598006 /nfs/dbraw/zinc/59/80/06/641598006.db2.gz BHPMJWDKWPRGGQ-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872079072 641611109 /nfs/dbraw/zinc/61/11/09/641611109.db2.gz LGZWDABRJIDKDS-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872079059 641611153 /nfs/dbraw/zinc/61/11/53/641611153.db2.gz LCBRRGKCXPVGIL-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(O)ccc1F ZINC000872080392 641613687 /nfs/dbraw/zinc/61/36/87/641613687.db2.gz WKEXQXKCBFJSMO-STQMWFEESA-N 2 0 280.387 2.914 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000872104975 641635384 /nfs/dbraw/zinc/63/53/84/641635384.db2.gz WEMKRBVTFARABK-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000872115284 641645881 /nfs/dbraw/zinc/64/58/81/641645881.db2.gz ASZPRZVOBKLQKB-GJZGRUSLSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(Nc3ccccc3)C2)[C@H](C)C1 ZINC000872132924 641659778 /nfs/dbraw/zinc/65/97/78/641659778.db2.gz LWSOCOLELBNUAU-AGERRDQYSA-N 2 0 287.451 2.949 20 0 CFADRP C([C@@H]1C[C@@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143367 641669842 /nfs/dbraw/zinc/66/98/42/641669842.db2.gz PZQMQGQKDGVWLU-PNKHAZJDSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@@H]1C[C@@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143366 641670542 /nfs/dbraw/zinc/67/05/42/641670542.db2.gz PZQMQGQKDGVWLU-OBVSXPTNSA-N 2 0 292.467 2.656 20 0 CFADRP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cccc2ncccc12 ZINC000872144714 641671703 /nfs/dbraw/zinc/67/17/03/641671703.db2.gz FSGULBTUIMYEML-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872151330 641673479 /nfs/dbraw/zinc/67/34/79/641673479.db2.gz VFGUFARJCAJSBG-ZIAGYGMSSA-N 2 0 286.341 2.607 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1C(F)(F)F ZINC000872151185 641674047 /nfs/dbraw/zinc/67/40/47/641674047.db2.gz JHEDAUBCWJKWHO-NEPJUHHUSA-N 2 0 292.370 2.750 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C(F)(F)F)nc1 ZINC000872155417 641676296 /nfs/dbraw/zinc/67/62/96/641676296.db2.gz RHUMUHONYCLCMP-SNVBAGLBSA-N 2 0 287.329 2.751 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cc(O)ccc1Cl ZINC000872155934 641677042 /nfs/dbraw/zinc/67/70/42/641677042.db2.gz AWFSSTZKKFIFAK-UHFFFAOYSA-N 2 0 270.804 2.997 20 0 CFADRP COc1ccccc1[C@@H]1CSCCC[N@@H+]1CCC[NH3+] ZINC000872158206 641679045 /nfs/dbraw/zinc/67/90/45/641679045.db2.gz ZTHRFCHQOJZWBN-AWEZNQCLSA-N 2 0 280.437 2.524 20 0 CFADRP Cn1nccc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158636 641679066 /nfs/dbraw/zinc/67/90/66/641679066.db2.gz WKKYJWLRASTMRK-YOEHRIQHSA-N 2 0 290.455 2.540 20 0 CFADRP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158426 641679260 /nfs/dbraw/zinc/67/92/60/641679260.db2.gz VADLYUSDTVBOFR-SQWLQELKSA-N 2 0 296.455 2.558 20 0 CFADRP C[NH2+]C[C@@H]1CCCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080509974 650685620 /nfs/dbraw/zinc/68/56/20/650685620.db2.gz WNPDLSNPCZECQX-AWEZNQCLSA-N 2 0 288.435 2.832 20 0 CFADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1C1CC1 ZINC000872457435 641817056 /nfs/dbraw/zinc/81/70/56/641817056.db2.gz RPUFYWSALZXLJN-CYBMUJFWSA-N 2 0 259.397 2.737 20 0 CFADRP Fc1ccc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c(F)c1 ZINC000873211972 642070557 /nfs/dbraw/zinc/07/05/57/642070557.db2.gz VGDAVGAVGPZIGK-UHFFFAOYSA-N 2 0 294.370 2.962 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212039 642070567 /nfs/dbraw/zinc/07/05/67/642070567.db2.gz FDWQJRNCPFHDTA-INIZCTEOSA-N 2 0 299.443 2.753 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219913 642072969 /nfs/dbraw/zinc/07/29/69/642072969.db2.gz BKSCWCPOOAXKPO-PBHICJAKSA-N 2 0 260.425 2.985 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221115 642073959 /nfs/dbraw/zinc/07/39/59/642073959.db2.gz LNNMHZNOTQHUHR-GFCCVEGCSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)C1CC[NH2+]CC1 ZINC000873220952 642074371 /nfs/dbraw/zinc/07/43/71/642074371.db2.gz CYUMXBHEWZLEHA-CQSZACIVSA-N 2 0 288.435 2.953 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1OC ZINC000873222033 642075057 /nfs/dbraw/zinc/07/50/57/642075057.db2.gz XOYADVBGAHRZLI-CYBMUJFWSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000873222184 642075267 /nfs/dbraw/zinc/07/52/67/642075267.db2.gz FICINPNKAWOTIM-NSHDSACASA-N 2 0 294.826 2.753 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccsc2)C1 ZINC000873223686 642076319 /nfs/dbraw/zinc/07/63/19/642076319.db2.gz RCBXHABDANVFCP-CQSZACIVSA-N 2 0 252.427 2.945 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873224254 642078816 /nfs/dbraw/zinc/07/88/16/642078816.db2.gz YKLAMVAUMIWVNC-AWEZNQCLSA-N 2 0 276.424 2.952 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C(F)(F)F ZINC000873227669 642079676 /nfs/dbraw/zinc/07/96/76/642079676.db2.gz KRQNLCRGUILWAC-LJISPDSOSA-N 2 0 298.352 2.859 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH2+]1 ZINC000873225572 642080507 /nfs/dbraw/zinc/08/05/07/642080507.db2.gz TUQKTNZFQMJIDR-UKRRQHHQSA-N 2 0 271.408 2.988 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000873235297 642088589 /nfs/dbraw/zinc/08/85/89/642088589.db2.gz NLKUADCXELDXEP-ULQDDVLXSA-N 2 0 260.425 2.971 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC12CCOCC2 ZINC000873248360 642094267 /nfs/dbraw/zinc/09/42/67/642094267.db2.gz DPAHBTITXPCUKI-LUKYLMHMSA-N 2 0 292.467 2.704 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c[nH]c2cc1F ZINC000873248115 642094878 /nfs/dbraw/zinc/09/48/78/642094878.db2.gz ZYBHQJQIOOJWJI-NEPJUHHUSA-N 2 0 277.387 2.873 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])C(F)(F)F ZINC000873247822 642094955 /nfs/dbraw/zinc/09/49/55/642094955.db2.gz UXJWNGAXRVCDIV-UWVGGRQHSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nccc2ccccc21 ZINC000873249638 642095983 /nfs/dbraw/zinc/09/59/83/642095983.db2.gz MDAQYJQTKICXNG-SGMGOOAPSA-N 2 0 255.365 2.623 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000873250960 642096663 /nfs/dbraw/zinc/09/66/63/642096663.db2.gz JXQIVFCKZQJDJQ-CAPXZKIUSA-N 2 0 262.372 2.789 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250731 642096817 /nfs/dbraw/zinc/09/68/17/642096817.db2.gz ISBPCIQADNZLLA-BVUBDWEXSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCC1)C1C[NH2+]C1 ZINC000873250354 642097062 /nfs/dbraw/zinc/09/70/62/642097062.db2.gz QXINTRMZXPRTLB-LBPRGKRZSA-N 2 0 278.827 2.959 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000873250474 642097111 /nfs/dbraw/zinc/09/71/11/642097111.db2.gz GAEWUAPAVWYHRC-TVQRCGJNSA-N 2 0 288.313 2.644 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251977 642097470 /nfs/dbraw/zinc/09/74/70/642097470.db2.gz ZCRDGLLLZYLKQO-OZVIIMIRSA-N 2 0 274.408 2.745 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C(F)(F)F ZINC000873251345 642097493 /nfs/dbraw/zinc/09/74/93/642097493.db2.gz WDSXTGHYCUBDNA-QJPTWQEYSA-N 2 0 296.377 2.697 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251921 642097519 /nfs/dbraw/zinc/09/75/19/642097519.db2.gz MHVLZUMNRKONMN-QWRGUYRKSA-N 2 0 284.391 2.922 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000873254437 642099568 /nfs/dbraw/zinc/09/95/68/642099568.db2.gz TXRROFISDLHUDN-WDMOLILDSA-N 2 0 280.799 2.881 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253659 642099769 /nfs/dbraw/zinc/09/97/69/642099769.db2.gz BOMGPKXCBDQDBG-GMXVVIOVSA-N 2 0 250.411 2.796 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2ccccc2n1 ZINC000873253703 642100029 /nfs/dbraw/zinc/10/00/29/642100029.db2.gz COIJMDBAUWLYOJ-SGMGOOAPSA-N 2 0 255.365 2.623 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000873253872 642100241 /nfs/dbraw/zinc/10/02/41/642100241.db2.gz GJHUWWILDLARSH-ATZCPNFKSA-N 2 0 288.313 2.815 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255364 642100940 /nfs/dbraw/zinc/10/09/40/642100940.db2.gz GYZRDVLNERRUBV-OBJOEFQTSA-N 2 0 258.365 2.691 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873254933 642101118 /nfs/dbraw/zinc/10/11/18/642101118.db2.gz BNIAEXNKHSDCBD-NQBHXWOUSA-N 2 0 286.341 2.963 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)ccc1SC ZINC000873255724 642101949 /nfs/dbraw/zinc/10/19/49/642101949.db2.gz IXXUGBSBRBEZAN-GVXVVHGQSA-N 2 0 280.437 2.805 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257534 642102326 /nfs/dbraw/zinc/10/23/26/642102326.db2.gz IQJYXZAPUMPGDO-MRVWCRGKSA-N 2 0 298.377 2.936 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000873257005 642102689 /nfs/dbraw/zinc/10/26/89/642102689.db2.gz CSMLUOXZTBOULG-FXPVBKGRSA-N 2 0 256.752 2.867 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C(C)C)cc1 ZINC000873256763 642102796 /nfs/dbraw/zinc/10/27/96/642102796.db2.gz QGYKITJBGWQCSI-NOLJZWGESA-N 2 0 262.397 2.719 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000873257655 642103392 /nfs/dbraw/zinc/10/33/92/642103392.db2.gz WBMWDTLPEZFYHN-PJODQICGSA-N 2 0 278.827 2.988 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000873257755 642103491 /nfs/dbraw/zinc/10/34/91/642103491.db2.gz KECNWTVBYYQIRX-QEJZJMRPSA-N 2 0 284.407 2.569 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[C@H]([NH3+])C3)oc21 ZINC000873257855 642103608 /nfs/dbraw/zinc/10/36/08/642103608.db2.gz VKSSXIVINOPDCQ-GVXVVHGQSA-N 2 0 274.364 2.829 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000873258966 642104258 /nfs/dbraw/zinc/10/42/58/642104258.db2.gz WWAPRESQLINUMT-KWBADKCTSA-N 2 0 266.385 2.690 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873260321 642105041 /nfs/dbraw/zinc/10/50/41/642105041.db2.gz YKQBBOGAWRIKBC-UGQVUOCMSA-N 2 0 274.408 2.876 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cnn1C(C)C ZINC000873261706 642106283 /nfs/dbraw/zinc/10/62/83/642106283.db2.gz QSACVQSKPVHMPF-HNKHHVNMSA-N 2 0 290.455 2.954 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261824 642106556 /nfs/dbraw/zinc/10/65/56/642106556.db2.gz SEFQLDQAQOOZSB-UKMLZYKCSA-N 2 0 271.408 2.579 20 0 CFADRP c1c[nH]c([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)n1 ZINC000873263832 642107060 /nfs/dbraw/zinc/10/70/60/642107060.db2.gz LFFBYRKWELYUSK-XLNGHYISSA-N 2 0 296.418 2.619 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CC[NH2+]CC1 ZINC000873270748 642112708 /nfs/dbraw/zinc/11/27/08/642112708.db2.gz BKSOLJFBCFMIRE-LRDDRELGSA-N 2 0 274.408 2.747 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000873273501 642114449 /nfs/dbraw/zinc/11/44/49/642114449.db2.gz HRVGPNZYNBPBKS-LYRGGWFBSA-N 2 0 294.826 2.758 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290776 642122874 /nfs/dbraw/zinc/12/28/74/642122874.db2.gz RTQACRKEQPUCHZ-JYJNAYRXSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]1CC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)C1 ZINC000873292167 642123807 /nfs/dbraw/zinc/12/38/07/642123807.db2.gz OWDKEISLSZUEAB-FMKPAKJESA-N 2 0 280.456 2.559 20 0 CFADRP C([NH2+][C@@H](C1CC1)C1CCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292030 642124095 /nfs/dbraw/zinc/12/40/95/642124095.db2.gz KSYYHMBPNMMTHW-IAGOWNOFSA-N 2 0 292.467 2.704 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293048 642124648 /nfs/dbraw/zinc/12/46/48/642124648.db2.gz XJIFEDCMGPKQRR-JYJNAYRXSA-N 2 0 282.472 2.950 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000873930933 642308983 /nfs/dbraw/zinc/30/89/83/642308983.db2.gz VDSOSNWBUJOCEI-UHFFFAOYSA-N 2 0 291.439 2.665 20 0 CFADRP CN(C)c1ccc(F)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000876576646 642931461 /nfs/dbraw/zinc/93/14/61/642931461.db2.gz OVHFMKFAIZKQON-UHFFFAOYSA-N 2 0 293.430 2.665 20 0 CFADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000876776047 643005333 /nfs/dbraw/zinc/00/53/33/643005333.db2.gz DIHOTJYZHIKJFS-HNNXBMFYSA-N 2 0 295.402 2.589 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000876811911 643021333 /nfs/dbraw/zinc/02/13/33/643021333.db2.gz IHHMKBRGZGRPEX-ZIAGYGMSSA-N 2 0 270.486 2.934 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000876996346 643098613 /nfs/dbraw/zinc/09/86/13/643098613.db2.gz QOUQBMJEVZLNOL-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877019953 643106189 /nfs/dbraw/zinc/10/61/89/643106189.db2.gz VASBSUPBZAYPTD-NSHDSACASA-N 2 0 265.228 2.502 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877019369 643106258 /nfs/dbraw/zinc/10/62/58/643106258.db2.gz LIFNRAIIRVHWKP-LBPRGKRZSA-N 2 0 279.255 2.892 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000877020849 643106980 /nfs/dbraw/zinc/10/69/80/643106980.db2.gz FYRSDWXLGOFKCN-UHFFFAOYSA-N 2 0 260.425 2.777 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000877027326 643110361 /nfs/dbraw/zinc/11/03/61/643110361.db2.gz MWCKAPMYPLERGD-QGZVFWFLSA-N 2 0 260.425 2.777 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000877138981 643172498 /nfs/dbraw/zinc/17/24/98/643172498.db2.gz UUIHPVOEQWYYSE-UHFFFAOYSA-N 2 0 258.409 2.697 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CCCC[C@@H]2C[NH3+])([NH+](C)C)C1 ZINC000089145548 650828508 /nfs/dbraw/zinc/82/85/08/650828508.db2.gz HOLGCTLYJRPIIG-VQHPVUNQSA-N 2 0 281.488 2.604 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877584067 643379024 /nfs/dbraw/zinc/37/90/24/643379024.db2.gz BWLVTFFOOLDAET-QWRGUYRKSA-N 2 0 265.228 2.502 20 0 CFADRP C[NH+](C)C[C@@H]1CN(CCC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000877669471 643443540 /nfs/dbraw/zinc/44/35/40/643443540.db2.gz KQFMIFCPFIRVOW-QZTJIDSGSA-N 2 0 295.515 2.628 20 0 CFADRP COCC1(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCC1 ZINC000877683509 643452683 /nfs/dbraw/zinc/45/26/83/643452683.db2.gz CVGAWDGPIVVZEJ-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684157 643453162 /nfs/dbraw/zinc/45/31/62/643453162.db2.gz JBQSTHQPNXZZON-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP Cc1csc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000877684726 643453258 /nfs/dbraw/zinc/45/32/58/643453258.db2.gz UVXIMZHKVNXGFA-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CC(C)n1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cn1 ZINC000877684812 643453491 /nfs/dbraw/zinc/45/34/91/643453491.db2.gz ZKUAKQYCRHXMAV-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)ncc1F)CC2 ZINC000877684336 643453528 /nfs/dbraw/zinc/45/35/28/643453528.db2.gz MPLLTCUZCQQDIG-UHFFFAOYSA-N 2 0 295.377 2.668 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000877711390 643477483 /nfs/dbraw/zinc/47/74/83/643477483.db2.gz GRKJKQCSPGPFOX-UHFFFAOYSA-N 2 0 277.412 2.905 20 0 CFADRP CC[C@@H](COC)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718687 643482059 /nfs/dbraw/zinc/48/20/59/643482059.db2.gz PFSHCBNNKGAQQH-KRWDZBQOSA-N 2 0 290.451 2.665 20 0 CFADRP Cc1cc(C)cc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877737949 643498450 /nfs/dbraw/zinc/49/84/50/643498450.db2.gz JBMQZHFPYUUWIZ-QZTJIDSGSA-N 2 0 272.436 2.872 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877739179 643505053 /nfs/dbraw/zinc/50/50/53/643505053.db2.gz FNJNIAFOSBPAAZ-NXHRZFHOSA-N 2 0 272.436 2.891 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1 ZINC000877739682 643505359 /nfs/dbraw/zinc/50/53/59/643505359.db2.gz GPMSMXWBBLJQPK-IRXDYDNUSA-N 2 0 258.409 2.829 20 0 CFADRP CO[C@@H](C[N@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CC1 ZINC000877767570 643546590 /nfs/dbraw/zinc/54/65/90/643546590.db2.gz OAGTXRVYJOVSEP-KRWDZBQOSA-N 2 0 282.472 2.711 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794092 643559889 /nfs/dbraw/zinc/55/98/89/643559889.db2.gz GILBKYKVFCZFIE-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC[C@@H]2C=CCC2)CC1 ZINC000877807591 643570140 /nfs/dbraw/zinc/57/01/40/643570140.db2.gz XINOILZUDXQDKH-OAHLLOKOSA-N 2 0 280.456 2.558 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000877989511 643682472 /nfs/dbraw/zinc/68/24/72/643682472.db2.gz WASSHWGHJGSORZ-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C=C/C=C\CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000878021119 643696114 /nfs/dbraw/zinc/69/61/14/643696114.db2.gz XIJVRNMFLBILJY-OSFIAYCASA-N 2 0 291.483 2.609 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121439 643747476 /nfs/dbraw/zinc/74/74/76/643747476.db2.gz QFSFXZYGFLRRPG-IRXDYDNUSA-N 2 0 292.467 2.896 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(C)(C)O1 ZINC000878126023 643749581 /nfs/dbraw/zinc/74/95/81/643749581.db2.gz UDMUTZKMXWEGRG-HOTGVXAUSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@H+](C[C@H]1CC(C)(C)OC1(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000878125907 643749983 /nfs/dbraw/zinc/74/99/83/643749983.db2.gz UDNIGVGWVGBBFW-LSDHHAIUSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878148862 643759467 /nfs/dbraw/zinc/75/94/67/643759467.db2.gz ROEKDPRWOGNDSM-LUKYLMHMSA-N 2 0 280.456 2.608 20 0 CFADRP C=C/C=C/CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155354 643764327 /nfs/dbraw/zinc/76/43/27/643764327.db2.gz ONWNCOCCEVVIJI-ONEGZZNKSA-N 2 0 278.440 2.696 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878155779 643764513 /nfs/dbraw/zinc/76/45/13/643764513.db2.gz DRPVOETYZOCRDE-SJORKVTESA-N 2 0 292.467 2.609 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000878411715 643880944 /nfs/dbraw/zinc/88/09/44/643880944.db2.gz NLVHLXLZSAAWPM-LJIGWXMPSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878511843 643922014 /nfs/dbraw/zinc/92/20/14/643922014.db2.gz HPZQIOLYEMSTNM-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000878549210 643937894 /nfs/dbraw/zinc/93/78/94/643937894.db2.gz GGJMHMCKABUDMB-OAHLLOKOSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCC4(CCC4)O3)C2)CC1 ZINC000878549695 643938017 /nfs/dbraw/zinc/93/80/17/643938017.db2.gz OEYBGZNFANLVKX-INIZCTEOSA-N 2 0 292.467 2.896 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878651593 643974767 /nfs/dbraw/zinc/97/47/67/643974767.db2.gz FEDKEPXUMMWXRI-DOTOQJQBSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H](c1cccnc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247990 644193478 /nfs/dbraw/zinc/19/34/78/644193478.db2.gz KSXASSNWXCXXQT-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCOC(C)(C)C)CC2 ZINC000879248101 644194905 /nfs/dbraw/zinc/19/49/05/644194905.db2.gz MUBWCUAFUCFEJD-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)CC1CCCC1)CC2 ZINC000879250142 644194991 /nfs/dbraw/zinc/19/49/91/644194991.db2.gz NMKQXYWEVSWDLL-KRWDZBQOSA-N 2 0 294.483 2.735 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCCC1CC1)CC2 ZINC000879251619 644195995 /nfs/dbraw/zinc/19/59/95/644195995.db2.gz ZKKBVIGVUMJHSV-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCCOC(F)(F)F)CC2 ZINC000879251290 644196340 /nfs/dbraw/zinc/19/63/40/644196340.db2.gz SGGPJUYMPYRCEQ-UHFFFAOYSA-N 2 0 294.361 2.721 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000091546090 650902735 /nfs/dbraw/zinc/90/27/35/650902735.db2.gz KTGQXWCHSGTDNA-DZGCQCFKSA-N 2 0 293.842 2.589 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000091541773 650902856 /nfs/dbraw/zinc/90/28/56/650902856.db2.gz YQSHHBLNHSRAQN-UONOGXRCSA-N 2 0 293.842 2.589 20 0 CFADRP Cc1ccccc1CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879576059 644331914 /nfs/dbraw/zinc/33/19/14/644331914.db2.gz PDLQRFKBLHLDGP-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580255 644337413 /nfs/dbraw/zinc/33/74/13/644337413.db2.gz GFNJAADLQYSNLR-QZTJIDSGSA-N 2 0 272.436 2.818 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879582058 644339074 /nfs/dbraw/zinc/33/90/74/644339074.db2.gz PLRFLHRTHVLNMI-SJORKVTESA-N 2 0 258.409 2.775 20 0 CFADRP CN(CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879581293 644339176 /nfs/dbraw/zinc/33/91/76/644339176.db2.gz XUIXDAVPBMIGGE-WMZOPIPTSA-N 2 0 287.451 2.539 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C(C)(C)C(O)(CC)CC ZINC000879699140 644386948 /nfs/dbraw/zinc/38/69/48/644386948.db2.gz IWRLOMIDYIEZGV-UHFFFAOYSA-N 2 0 258.450 2.638 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CCC[NH+]1C)CC1CC[NH+](C)CC1 ZINC000879704623 644389896 /nfs/dbraw/zinc/38/98/96/644389896.db2.gz QPLYHUCOBSBSNB-GOSISDBHSA-N 2 0 295.515 2.771 20 0 CFADRP COc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1 ZINC000880260200 644617109 /nfs/dbraw/zinc/61/71/09/644617109.db2.gz NVYCRBOVNOBJOU-HNNXBMFYSA-N 2 0 297.402 2.801 20 0 CFADRP C[C@H]1C[N@H+](CCc2cccs2)CCN1c1cc[nH+]cc1 ZINC000880260915 644618533 /nfs/dbraw/zinc/61/85/33/644618533.db2.gz GUURLQBSIBLDTO-AWEZNQCLSA-N 2 0 287.432 2.896 20 0 CFADRP FC[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](CF)C2)C1 ZINC000880297588 644638134 /nfs/dbraw/zinc/63/81/34/644638134.db2.gz PZVSJXAEBFRBCT-GJZGRUSLSA-N 2 0 274.399 2.740 20 0 CFADRP C[C@H](CC[NH+]1CC[C@@H](CF)C1)CC[N@@H+]1CC[C@H](CF)C1 ZINC000880299025 644639463 /nfs/dbraw/zinc/63/94/63/644639463.db2.gz CGENBCBEGAMJJJ-MUJYYYPQSA-N 2 0 288.426 2.986 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000093451155 650940019 /nfs/dbraw/zinc/94/00/19/650940019.db2.gz TXQOVTXZSKAIIF-YESZJQIVSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000093515160 650941429 /nfs/dbraw/zinc/94/14/29/650941429.db2.gz FGLIUTWCRDGMCF-YYIAUSFCSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](C)[NH+]1CCCCC1 ZINC000093515861 650941687 /nfs/dbraw/zinc/94/16/87/650941687.db2.gz HEMQDXHYPYOBIZ-BRWVUGGUSA-N 2 0 281.488 2.761 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CCCC2CCOCC2)CC1 ZINC000880473407 644727332 /nfs/dbraw/zinc/72/73/32/644727332.db2.gz DVHCFSRXFHRUOH-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000880473464 644727434 /nfs/dbraw/zinc/72/74/34/644727434.db2.gz FGAPPWYSBJEVDK-ZDUSSCGKSA-N 2 0 272.383 2.982 20 0 CFADRP CC(C)[C@H](O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517547 644748291 /nfs/dbraw/zinc/74/82/91/644748291.db2.gz SACZDJRTHNTVNL-MRXNPFEDSA-N 2 0 270.461 2.591 20 0 CFADRP CO[C@@H]1CC[C@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000880517852 644748364 /nfs/dbraw/zinc/74/83/64/644748364.db2.gz XSFJOFXQNBUGPL-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@@H]1CCOC1 ZINC000880517170 644748386 /nfs/dbraw/zinc/74/83/86/644748386.db2.gz KLAJSOMFRZLPPN-MRXNPFEDSA-N 2 0 268.445 2.611 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1OC ZINC000129012762 644977739 /nfs/dbraw/zinc/97/77/39/644977739.db2.gz BGVCHKJSDAVZHY-UKRRQHHQSA-N 2 0 262.397 2.878 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000250489962 650974721 /nfs/dbraw/zinc/97/47/21/650974721.db2.gz GOIWEAVWGOXRRE-BRWVUGGUSA-N 2 0 281.488 2.616 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCS1 ZINC000250792527 650980014 /nfs/dbraw/zinc/98/00/14/650980014.db2.gz JYDSVARAXYVDHU-BYNSBNAKSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251169337 650984900 /nfs/dbraw/zinc/98/49/00/650984900.db2.gz DTGUTGYJASHXSZ-QZWWFDLISA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882941240 645517978 /nfs/dbraw/zinc/51/79/78/645517978.db2.gz MRAVREQDFBDFKX-OAHLLOKOSA-N 2 0 288.435 2.579 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252934082 651029509 /nfs/dbraw/zinc/02/95/09/651029509.db2.gz DKXJDUPZIMPLMP-YNEHKIRRSA-N 2 0 256.459 2.638 20 0 CFADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000252952242 651030409 /nfs/dbraw/zinc/03/04/09/651030409.db2.gz FOLIYWCSSMDUDE-AAVRWANBSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC(C)(C)CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000883186128 645648263 /nfs/dbraw/zinc/64/82/63/645648263.db2.gz LVOHCMJWQKXXGB-ZACQAIPSSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000883189466 645651185 /nfs/dbraw/zinc/65/11/85/645651185.db2.gz HVTVEIFEZSYUBZ-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)CO2)CC1(C)C ZINC000883242613 645690357 /nfs/dbraw/zinc/69/03/57/645690357.db2.gz MARKZPUWMISUIY-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000253196394 651039967 /nfs/dbraw/zinc/03/99/67/651039967.db2.gz STDOWHVIDAJDNK-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000883353952 645758219 /nfs/dbraw/zinc/75/82/19/645758219.db2.gz HRTLAZYCJMGFBX-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)[C@@H]2CCC[C@@H]21 ZINC000883357898 645764285 /nfs/dbraw/zinc/76/42/85/645764285.db2.gz XGTZIWWUELQDEC-VGWMRTNUSA-N 2 0 278.440 2.551 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416448 645808600 /nfs/dbraw/zinc/80/86/00/645808600.db2.gz VFOPVBZBWOLWCM-UAGQMJEPSA-N 2 0 274.408 2.577 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883416366 645809074 /nfs/dbraw/zinc/80/90/74/645809074.db2.gz SYNBZTGBACDLRJ-CHWSQXEVSA-N 2 0 260.372 2.743 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@@H]21 ZINC000883425470 645818752 /nfs/dbraw/zinc/81/87/52/645818752.db2.gz VGCBIDQSFQJUMO-YIYPIFLZSA-N 2 0 272.383 2.871 20 0 CFADRP [NH3+]C1(C[NH2+]C[C@@H]2CCC[C@H](c3ccccc3)O2)CCC1 ZINC000883425636 645821031 /nfs/dbraw/zinc/82/10/31/645821031.db2.gz ZGSIESWJXOGIGL-JKSUJKDBSA-N 2 0 274.408 2.768 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883428738 645822000 /nfs/dbraw/zinc/82/20/00/645822000.db2.gz BKJOIGALIXRTDP-ARFHVFGLSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883428889 645822422 /nfs/dbraw/zinc/82/24/22/645822422.db2.gz FYKFVJWJSPGJQY-BHUNQDJPSA-N 2 0 274.408 2.718 20 0 CFADRP CC(C)(C)[C@@H](CN)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000883430296 645823533 /nfs/dbraw/zinc/82/35/33/645823533.db2.gz RRXLPKPMGBNPTJ-NWDGAFQWSA-N 2 0 256.434 2.543 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429584 645824221 /nfs/dbraw/zinc/82/42/21/645824221.db2.gz ZOJDAJWULFRHSL-BRWVUGGUSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(C)[C@H](CN)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883429628 645824611 /nfs/dbraw/zinc/82/46/11/645824611.db2.gz ANMQLPYNJLXMTM-PMPSAXMXSA-N 2 0 276.424 2.870 20 0 CFADRP CN(C[C@@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)[NH3+] ZINC000883434781 645828228 /nfs/dbraw/zinc/82/82/28/645828228.db2.gz AVNRVDOKIWYAFL-GJZGRUSLSA-N 2 0 262.397 2.576 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCOC(F)(F)F)C1 ZINC000883439456 645833388 /nfs/dbraw/zinc/83/33/88/645833388.db2.gz SAMDYVUJFVAZFL-LBPRGKRZSA-N 2 0 282.350 2.610 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000883448049 645837253 /nfs/dbraw/zinc/83/72/53/645837253.db2.gz SLDFVPLFQODAFZ-QGZVFWFLSA-N 3 0 293.499 2.717 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000883459575 645843569 /nfs/dbraw/zinc/84/35/69/645843569.db2.gz BKAXFEPMKGXEOV-IRXDYDNUSA-N 2 0 286.419 2.519 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000883462397 645845495 /nfs/dbraw/zinc/84/54/95/645845495.db2.gz QBQMTYQUPAMADY-OAHLLOKOSA-N 2 0 259.397 2.521 20 0 CFADRP C(C[N@@H+]1CCCC[C@H](C2CCOCC2)C1)C1CC[NH2+]CC1 ZINC000883462771 645845564 /nfs/dbraw/zinc/84/55/64/645845564.db2.gz ZJEBEXGMRPAGKW-SFHVURJKSA-N 2 0 294.483 2.905 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000132090994 645876999 /nfs/dbraw/zinc/87/69/99/645876999.db2.gz DSBYVHPIWJPZFH-HIFRSBDPSA-N 2 0 262.397 2.736 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC000305181447 651053322 /nfs/dbraw/zinc/05/33/22/651053322.db2.gz WGXYBQVCEQKTAL-QGZVFWFLSA-N 2 0 294.439 2.568 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000800171344 646167140 /nfs/dbraw/zinc/16/71/40/646167140.db2.gz GCPINMWEMRPEMX-QLFBSQMISA-N 2 0 284.444 2.523 20 0 CFADRP C[C@H](C(=O)OCCC[NH+]1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000800171750 646169066 /nfs/dbraw/zinc/16/90/66/646169066.db2.gz VLMWMSAIAUECCJ-BZUAXINKSA-N 2 0 296.455 2.667 20 0 CFADRP C[C@@H](C(=O)OCCC[NH+]1CCCCC1)[NH+]1CCCCCC1 ZINC000800174092 646170957 /nfs/dbraw/zinc/17/09/57/646170957.db2.gz MPWXYDLMYVESBO-INIZCTEOSA-N 2 0 296.455 2.670 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000135378790 646528028 /nfs/dbraw/zinc/52/80/28/646528028.db2.gz WSEFWSKSUPWMKL-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP C1C[C@H]([NH2+][C@@H]2CCCSC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000136345259 646764978 /nfs/dbraw/zinc/76/49/78/646764978.db2.gz IUVPCJVSKDMVBR-BARDWOONSA-N 2 0 268.470 2.782 20 0 CFADRP COCCN1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885944677 646777847 /nfs/dbraw/zinc/77/78/47/646777847.db2.gz UNQCJXBRRVPFCI-HWKANZROSA-N 2 0 292.398 2.539 20 0 CFADRP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000886021210 646823579 /nfs/dbraw/zinc/82/35/79/646823579.db2.gz RDCQSOJSMZZKFS-RYQLBKOJSA-N 2 0 292.467 2.752 20 0 CFADRP c1cc(N2CC[NH+](CCOC3CCCCC3)CC2)cc[nH+]1 ZINC000886040900 646835818 /nfs/dbraw/zinc/83/58/18/646835818.db2.gz GWWNWJNXKLMGIU-UHFFFAOYSA-N 2 0 289.423 2.553 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000886093875 646863644 /nfs/dbraw/zinc/86/36/44/646863644.db2.gz IYFRIZGEYPFDIG-NVXWUHKLSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886100425 646871533 /nfs/dbraw/zinc/87/15/33/646871533.db2.gz NFTXYDGBIIKQTK-MSOLQXFVSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@]12CCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127738 646885333 /nfs/dbraw/zinc/88/53/33/646885333.db2.gz RDNFHAGDMFXHJP-OVWQWFNUSA-N 2 0 292.467 2.656 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000886143202 646892988 /nfs/dbraw/zinc/89/29/88/646892988.db2.gz WHRGCENENLSTQQ-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886202693 646917768 /nfs/dbraw/zinc/91/77/68/646917768.db2.gz BZOXVYKQKXXMOE-BJCAYOAGSA-N 2 0 262.441 2.980 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886218314 646925827 /nfs/dbraw/zinc/92/58/27/646925827.db2.gz SGTFHHOEGWSTEN-IKGGRYGDSA-N 2 0 262.441 2.840 20 0 CFADRP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(C[NH+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886346598 646980958 /nfs/dbraw/zinc/98/09/58/646980958.db2.gz LXBSAOFMQVSLIM-USTZCAOPSA-N 2 0 268.404 2.590 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000886501299 647020907 /nfs/dbraw/zinc/02/09/07/647020907.db2.gz FESFACRYOBAIRP-KZYLPZIUSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000886524295 647029338 /nfs/dbraw/zinc/02/93/38/647029338.db2.gz HUMZJMVILRHVPC-HJOIGYKYSA-N 2 0 293.499 2.856 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000886526953 647030205 /nfs/dbraw/zinc/03/02/05/647030205.db2.gz VYKCEJKLGMZUBW-UHFFFAOYSA-N 2 0 280.456 2.678 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000886541613 647038975 /nfs/dbraw/zinc/03/89/75/647038975.db2.gz YOOIHMFPWJCCSM-MJYONLJCSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886560312 647047006 /nfs/dbraw/zinc/04/70/06/647047006.db2.gz VFLAPYLSPLKPCJ-KZYLPZIUSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnn(C)c1 ZINC000886601430 647062382 /nfs/dbraw/zinc/06/23/82/647062382.db2.gz SMFJTUVMUKRGPV-QGZVFWFLSA-N 2 0 290.455 2.581 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886601134 647062587 /nfs/dbraw/zinc/06/25/87/647062587.db2.gz KWNKBVSOABPHCX-GYXIZQIFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886603989 647063436 /nfs/dbraw/zinc/06/34/36/647063436.db2.gz ZPTKYANTPJCJGH-FHERZECASA-N 2 0 268.445 2.534 20 0 CFADRP CC(C)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000886615993 647068864 /nfs/dbraw/zinc/06/88/64/647068864.db2.gz SCGOMLVEOHEVKF-QGZVFWFLSA-N 2 0 292.471 2.973 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886620957 647072364 /nfs/dbraw/zinc/07/23/64/647072364.db2.gz XKSLZGCXDREDJT-ISXOHVOVSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H](C)O ZINC000886620530 647072756 /nfs/dbraw/zinc/07/27/56/647072756.db2.gz MKMNTNJZQDABTH-UIDBIOKJSA-N 2 0 268.445 2.533 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)O1 ZINC000886644370 647084758 /nfs/dbraw/zinc/08/47/58/647084758.db2.gz BKPJTBLBYRPNEQ-HLUWQOEYSA-N 2 0 280.456 2.939 20 0 CFADRP CCC[C@@H](CCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886645305 647085524 /nfs/dbraw/zinc/08/55/24/647085524.db2.gz WWIJCQFFDPXXJR-GTPINHCMSA-N 2 0 282.472 2.924 20 0 CFADRP Cc1nc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)[nH]c1C ZINC000886664693 647096862 /nfs/dbraw/zinc/09/68/62/647096862.db2.gz VBLOBEAGMAKKSL-INIZCTEOSA-N 2 0 290.455 2.690 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCC2(OC)CCC2)CC1 ZINC000886718268 647121488 /nfs/dbraw/zinc/12/14/88/647121488.db2.gz VSPPHBWGEFVYJH-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)[C@H](C)C1 ZINC000886729051 647123968 /nfs/dbraw/zinc/12/39/68/647123968.db2.gz YYFDZVLAAQCQKX-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000886839868 647159219 /nfs/dbraw/zinc/15/92/19/647159219.db2.gz NNZGQKNCHHZFOO-YESZJQIVSA-N 2 0 292.467 2.800 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886839652 647159228 /nfs/dbraw/zinc/15/92/28/647159228.db2.gz JMKLXFNWJFPFNA-VSZNYVQBSA-N 2 0 292.467 2.641 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839558 647159478 /nfs/dbraw/zinc/15/94/78/647159478.db2.gz HLHNEXJVRFTDHH-QZWWFDLISA-N 2 0 262.441 2.744 20 0 CFADRP C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841909 647160738 /nfs/dbraw/zinc/16/07/38/647160738.db2.gz ZWDUHKKPGMJWNL-RCCFBDPRSA-N 2 0 292.467 2.656 20 0 CFADRP COc1ccc(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886868162 647164522 /nfs/dbraw/zinc/16/45/22/647164522.db2.gz WXHQEAVDKQDKCG-GOSISDBHSA-N 2 0 288.435 2.703 20 0 CFADRP COc1cccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC000887130257 647221679 /nfs/dbraw/zinc/22/16/79/647221679.db2.gz AFIVTACGXFQOHO-HNNXBMFYSA-N 2 0 297.402 2.801 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132193 647222429 /nfs/dbraw/zinc/22/24/29/647222429.db2.gz ABJPBVTYYKTITM-HUUCEWRRSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133250 647222579 /nfs/dbraw/zinc/22/25/79/647222579.db2.gz XHQUEBCRZHTSMR-HUUCEWRRSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)C(C)(C)C ZINC000887134565 647223693 /nfs/dbraw/zinc/22/36/93/647223693.db2.gz LWHJYFBYPGXNCO-AWEZNQCLSA-N 2 0 289.423 2.597 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(F)c2)C1 ZINC000222051935 647241678 /nfs/dbraw/zinc/24/16/78/647241678.db2.gz ATOOFDILEOKXQO-DZGCQCFKSA-N 2 0 264.388 2.688 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NCC1CC1 ZINC000887347083 647277553 /nfs/dbraw/zinc/27/75/53/647277553.db2.gz FTAYKRQJQLSUNK-UHFFFAOYSA-N 2 0 288.439 2.552 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000300423996 647331608 /nfs/dbraw/zinc/33/16/08/647331608.db2.gz AFKPPCJLQPKILO-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925499995 647882857 /nfs/dbraw/zinc/88/28/57/647882857.db2.gz BYSPUGSHTBWBGW-DLBZAZTESA-N 2 0 289.467 2.614 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925496798 647886585 /nfs/dbraw/zinc/88/65/85/647886585.db2.gz WILFRTLEZBPMET-IAGOWNOFSA-N 2 0 285.435 2.515 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)no1 ZINC000924528576 647988417 /nfs/dbraw/zinc/98/84/17/647988417.db2.gz NXJAJUDZBXIJMU-OLZOCXBDSA-N 2 0 283.416 2.844 20 0 CFADRP CC1(C)CC(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC(C)(C)[NH2+]1 ZINC000924569923 647997397 /nfs/dbraw/zinc/99/73/97/647997397.db2.gz LSCLYQHXRZLTFW-HOTGVXAUSA-N 2 0 293.499 2.902 20 0 CFADRP CC1(C)CC(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC(C)(C)[NH2+]1 ZINC000924569929 647997416 /nfs/dbraw/zinc/99/74/16/647997416.db2.gz LSCLYQHXRZLTFW-JKSUJKDBSA-N 2 0 293.499 2.902 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924578066 647999675 /nfs/dbraw/zinc/99/96/75/647999675.db2.gz OROQPLXVIHBNRG-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO[C@H]1C ZINC000924584315 648001427 /nfs/dbraw/zinc/00/14/27/648001427.db2.gz VXEUQWPEJVXLGD-MPGHIAIKSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@H]1CC2(CC([NH2+]Cc3cccc(C[NH+](C)C)c3)C2)CO1 ZINC000924606332 648006012 /nfs/dbraw/zinc/00/60/12/648006012.db2.gz KPKUUUAYDVEKRY-NNGSBXSVSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924609798 648006525 /nfs/dbraw/zinc/00/65/25/648006525.db2.gz XCPOFMICUIEKML-KBPBESRZSA-N 2 0 276.424 2.509 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1cc(O)cc(F)c1 ZINC000924617605 648009929 /nfs/dbraw/zinc/00/99/29/648009929.db2.gz PJVKHBLCRDNGCO-LBPRGKRZSA-N 2 0 268.376 2.912 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCOC[C@H]1C(C)C)N1CCCC1 ZINC000924630443 648012187 /nfs/dbraw/zinc/01/21/87/648012187.db2.gz DATJHISKUZFZGS-GVDBMIGSSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1ccccn1)N(C)C ZINC000924630109 648012199 /nfs/dbraw/zinc/01/21/99/648012199.db2.gz XBPNXIOQYUMZDF-HOCLYGCPSA-N 2 0 263.429 2.579 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000924647481 648018481 /nfs/dbraw/zinc/01/84/81/648018481.db2.gz JUBYCUBGWAWHJQ-WFASDCNBSA-N 2 0 250.430 2.885 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924661137 648021647 /nfs/dbraw/zinc/02/16/47/648021647.db2.gz RKIXCVNKCKNFSM-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924686071 648026285 /nfs/dbraw/zinc/02/62/85/648026285.db2.gz KJKDMWUHJSISGZ-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCON1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000924685456 648026525 /nfs/dbraw/zinc/02/65/25/648026525.db2.gz IXYFJTUJNDYIRF-INIZCTEOSA-N 2 0 297.487 2.504 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713787 648033367 /nfs/dbraw/zinc/03/33/67/648033367.db2.gz SVXGAQVTCDPBSD-WMZOPIPTSA-N 2 0 294.483 2.782 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924714221 648033822 /nfs/dbraw/zinc/03/38/22/648033822.db2.gz WZIYJAOXTKYSRG-RDJZCZTQSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)C[NH+]1CCCCC1 ZINC000924722851 648035358 /nfs/dbraw/zinc/03/53/58/648035358.db2.gz VEDBEXAGPWJLFG-KBPBESRZSA-N 2 0 277.412 2.560 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924754077 648041722 /nfs/dbraw/zinc/04/17/22/648041722.db2.gz SODGOASYJOEJLT-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000924754013 648041749 /nfs/dbraw/zinc/04/17/49/648041749.db2.gz RRQCEKNGCAOVSE-ZACQAIPSSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924752174 648041833 /nfs/dbraw/zinc/04/18/33/648041833.db2.gz FKXYTJRZTWBOKU-RHSMWYFYSA-N 2 0 278.440 2.806 20 0 CFADRP CCC(O)(CC)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924860507 648061623 /nfs/dbraw/zinc/06/16/23/648061623.db2.gz GILMTNAYYUSUQT-AWEZNQCLSA-N 2 0 278.440 2.950 20 0 CFADRP C(C[NH2+][C@H]1CCCN2CCCC[C@@H]12)COC1CCCC1 ZINC000924865612 648062763 /nfs/dbraw/zinc/06/27/63/648062763.db2.gz HZJLUFXZYRMMPZ-IRXDYDNUSA-N 2 0 280.456 2.942 20 0 CFADRP CCC(O)(CC)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924863027 648062821 /nfs/dbraw/zinc/06/28/21/648062821.db2.gz UYHUKGQQPVENEI-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP CCN(CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000924903207 648068873 /nfs/dbraw/zinc/06/88/73/648068873.db2.gz HRGWSELJEYSFHW-HNNXBMFYSA-N 2 0 289.467 2.883 20 0 CFADRP CCN(CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000924903209 648069160 /nfs/dbraw/zinc/06/91/60/648069160.db2.gz HRGWSELJEYSFHW-OAHLLOKOSA-N 2 0 289.467 2.883 20 0 CFADRP CO[C@@H](C)CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924910375 648070465 /nfs/dbraw/zinc/07/04/65/648070465.db2.gz SXPJFPWKRQKEEK-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000924955740 648078619 /nfs/dbraw/zinc/07/86/19/648078619.db2.gz SYIAYNMPEQNUHE-IRXDYDNUSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C1CCC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000924962802 648080464 /nfs/dbraw/zinc/08/04/64/648080464.db2.gz CCPZVMALBSVHCY-MAUKXSAKSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnn1CC1CCC1 ZINC000924964230 648080929 /nfs/dbraw/zinc/08/09/29/648080929.db2.gz PNCSQDAXROWCRU-CQSZACIVSA-N 2 0 290.455 2.676 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924989236 648085164 /nfs/dbraw/zinc/08/51/64/648085164.db2.gz DBCQHZBEWVOLAB-SOLBZPMBSA-N 2 0 293.499 2.737 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H]1C ZINC000925048047 648094103 /nfs/dbraw/zinc/09/41/03/648094103.db2.gz DEWXIDKAALUBCR-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000925086329 648102594 /nfs/dbraw/zinc/10/25/94/648102594.db2.gz OCUXBXZFQFBSHG-GOEBONIOSA-N 2 0 277.456 2.969 20 0 CFADRP C[C@H]1CC2(CC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2)CO1 ZINC000925086752 648102685 /nfs/dbraw/zinc/10/26/85/648102685.db2.gz RZIAJRHSZAKZED-BOLLXYOYSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000925137132 648114728 /nfs/dbraw/zinc/11/47/28/648114728.db2.gz SKIVVEMHGGEKLD-HGTKMLMNSA-N 2 0 294.464 2.756 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000925155178 648118192 /nfs/dbraw/zinc/11/81/92/648118192.db2.gz IENRFTOXENXZOE-ZDUSSCGKSA-N 2 0 277.412 2.560 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)C(C)C ZINC000925198065 648129864 /nfs/dbraw/zinc/12/98/64/648129864.db2.gz XYDRFDUFVANRKA-QLFBSQMISA-N 2 0 256.434 2.508 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1(Br)CC1 ZINC000925218740 648133709 /nfs/dbraw/zinc/13/37/09/648133709.db2.gz ZINXVYDPRHAODG-SRVKXCTJSA-N 2 0 289.261 2.765 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO[C@H]1C ZINC000925230606 648137344 /nfs/dbraw/zinc/13/73/44/648137344.db2.gz YSWQOUVZEIHJCG-VAZJSPDQSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925472130 648178467 /nfs/dbraw/zinc/17/84/67/648178467.db2.gz ASEFAWADQVRSDY-IRXDYDNUSA-N 2 0 288.435 2.971 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1c(F)cccc1F ZINC000925477162 648178877 /nfs/dbraw/zinc/17/88/77/648178877.db2.gz FBLIIXVVSADQRB-FVGKDHOHSA-N 2 0 280.362 2.613 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000925483247 648180394 /nfs/dbraw/zinc/18/03/94/648180394.db2.gz XVAPRKYOIHHGSX-HOTGVXAUSA-N 2 0 262.397 2.625 20 0 CFADRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925485452 648181151 /nfs/dbraw/zinc/18/11/51/648181151.db2.gz NGWGQGHYOHFCIH-RBSFLKMASA-N 3 0 292.471 2.793 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925487055 648181280 /nfs/dbraw/zinc/18/12/80/648181280.db2.gz BENKJVWLFXZRRT-ARFHVFGLSA-N 3 0 283.504 2.993 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)C[C@@H]([NH3+])C1 ZINC000925489583 648182232 /nfs/dbraw/zinc/18/22/32/648182232.db2.gz KURKAXFIYWNQIZ-ZNMIVQPWSA-N 2 0 258.409 2.822 20 0 CFADRP CC[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925492810 648183173 /nfs/dbraw/zinc/18/31/73/648183173.db2.gz NJJQIKFJXBOWAV-WLGOAYHESA-N 2 0 270.420 2.766 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925529096 648201452 /nfs/dbraw/zinc/20/14/52/648201452.db2.gz YUOBIEVOKKHWDT-FRRDWIJNSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCCN(c3ccccc3)C1)[NH2+]2 ZINC000925498566 648183880 /nfs/dbraw/zinc/18/38/80/648183880.db2.gz QTBSPIVRHRKPAP-AKKLJKOSSA-N 2 0 299.462 2.774 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925502863 648186175 /nfs/dbraw/zinc/18/61/75/648186175.db2.gz JDHKCFVLBDDHIL-HOTGVXAUSA-N 2 0 258.409 2.651 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925502190 648186312 /nfs/dbraw/zinc/18/63/12/648186312.db2.gz FTMTWHORNFKUSS-XQQFMLRXSA-N 2 0 254.443 2.535 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925502193 648186533 /nfs/dbraw/zinc/18/65/33/648186533.db2.gz FTMTWHORNFKUSS-YNEHKIRRSA-N 2 0 254.443 2.535 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505038 648188504 /nfs/dbraw/zinc/18/85/04/648188504.db2.gz PJSVELUWFUGUAT-BFHYXJOUSA-N 2 0 268.470 2.925 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCNc2ccccc2)C1 ZINC000925506339 648188983 /nfs/dbraw/zinc/18/89/83/648188983.db2.gz WAGMQLKJPHIMIE-GDBMZVCRSA-N 2 0 275.440 2.984 20 0 CFADRP CC1(C)[C@@H]([NH2+]Cc2cccs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925507448 648189488 /nfs/dbraw/zinc/18/94/88/648189488.db2.gz BCRCIHMAZDIWLP-AGIUHOORSA-N 2 0 250.411 2.614 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925509717 648190759 /nfs/dbraw/zinc/19/07/59/648190759.db2.gz OMBMHXPIRHVAFY-IAGOWNOFSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)COCc1ccccc1 ZINC000925508850 648190952 /nfs/dbraw/zinc/19/09/52/648190952.db2.gz SYIFHSNBVUYRIE-HOCLYGCPSA-N 2 0 276.424 2.569 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925511206 648191350 /nfs/dbraw/zinc/19/13/50/648191350.db2.gz IRRLLRYYCMJHPK-LSDHHAIUSA-N 2 0 276.449 2.947 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)C12CCC2 ZINC000925512522 648192607 /nfs/dbraw/zinc/19/26/07/648192607.db2.gz FHIPMIDISSSSQK-LSDHHAIUSA-N 2 0 274.383 2.717 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925512192 648192631 /nfs/dbraw/zinc/19/26/31/648192631.db2.gz ANUBNJLQGRVABO-UONOGXRCSA-N 2 0 262.397 2.691 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C12CCC2 ZINC000925515424 648193556 /nfs/dbraw/zinc/19/35/56/648193556.db2.gz IFYBSYFQUQWJDT-ZQDZILKHSA-N 2 0 280.456 2.830 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000925518010 648195331 /nfs/dbraw/zinc/19/53/31/648195331.db2.gz CQEWEEAJYHMVSV-JKSUJKDBSA-N 2 0 298.434 2.868 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(-n2ccnc2)c1 ZINC000925517511 648195541 /nfs/dbraw/zinc/19/55/41/648195541.db2.gz VUESIGHAYWHNLL-XKQJLSEDSA-N 2 0 296.418 2.793 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccsc1 ZINC000925518567 648195555 /nfs/dbraw/zinc/19/55/55/648195555.db2.gz ZCXKOIJMIWENNQ-OWCLPIDISA-N 2 0 294.464 2.539 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[C@H]2CCCO[C@H]21 ZINC000925519573 648196425 /nfs/dbraw/zinc/19/64/25/648196425.db2.gz URGRDULETLOWSM-XLWJZTARSA-N 2 0 280.456 2.686 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)s1 ZINC000925519739 648196722 /nfs/dbraw/zinc/19/67/22/648196722.db2.gz VTISXWMZJUFWMW-VXGBXAGGSA-N 2 0 267.442 2.756 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925518984 648196803 /nfs/dbraw/zinc/19/68/03/648196803.db2.gz ATWKMLULWHLGRB-FVQBIDKESA-N 2 0 258.409 2.958 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2OCCc3sccc32)C[C@@H]([NH3+])C1 ZINC000925520949 648197693 /nfs/dbraw/zinc/19/76/93/648197693.db2.gz BNYUOAZPOMQIBN-DYEKYZERSA-N 2 0 294.464 2.858 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCOCC1 ZINC000925526665 648200516 /nfs/dbraw/zinc/20/05/16/648200516.db2.gz JPMNHUGQDLSZTL-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000925536641 648205505 /nfs/dbraw/zinc/20/55/05/648205505.db2.gz PYDHQXPOXSZJKL-JKSUJKDBSA-N 2 0 262.397 2.625 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925541406 648207532 /nfs/dbraw/zinc/20/75/32/648207532.db2.gz IKJHCEKYJJDRPW-DLBZAZTESA-N 3 0 293.499 2.604 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925540384 648207810 /nfs/dbraw/zinc/20/78/10/648207810.db2.gz BZSSAMJNWHIKNS-DGAVXFQQSA-N 2 0 268.470 2.910 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925540386 648208246 /nfs/dbraw/zinc/20/82/46/648208246.db2.gz BZSSAMJNWHIKNS-RFQIPJPRSA-N 2 0 268.470 2.910 20 0 CFADRP C[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000925545689 648210453 /nfs/dbraw/zinc/21/04/53/648210453.db2.gz JPWVFUKLAFZJQV-BZUAXINKSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000925548912 648210973 /nfs/dbraw/zinc/21/09/73/648210973.db2.gz VDDJQLMHKONJTL-LVQVYYBASA-N 2 0 281.488 2.602 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925546683 648211598 /nfs/dbraw/zinc/21/15/98/648211598.db2.gz MHXUAWGYZZPUHP-HZPDHXFCSA-N 2 0 286.419 2.586 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925547636 648211733 /nfs/dbraw/zinc/21/17/33/648211733.db2.gz CIJFBNGYAJRBRE-RANZSIQMSA-N 2 0 299.462 2.632 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000925552411 648213258 /nfs/dbraw/zinc/21/32/58/648213258.db2.gz KQCIDGRSGURQGL-HUUCEWRRSA-N 2 0 264.438 2.952 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000925552818 648213856 /nfs/dbraw/zinc/21/38/56/648213856.db2.gz KWYYYCWBNYKAPG-HZPDHXFCSA-N 2 0 298.434 2.868 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cs1 ZINC000925563813 648218374 /nfs/dbraw/zinc/21/83/74/648218374.db2.gz FNNJIOAPHORXFK-CHWSQXEVSA-N 2 0 279.453 2.669 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccccc1 ZINC000925577890 648224333 /nfs/dbraw/zinc/22/43/33/648224333.db2.gz RBLYYWJZMMIHNR-KRWDZBQOSA-N 2 0 298.434 2.789 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925578455 648225680 /nfs/dbraw/zinc/22/56/80/648225680.db2.gz FCPDGUIBCVIQRU-HOTGVXAUSA-N 2 0 274.408 2.623 20 0 CFADRP CCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925581087 648226216 /nfs/dbraw/zinc/22/62/16/648226216.db2.gz WEHOVPOHWJWZQZ-CABCVRRESA-N 2 0 250.430 2.935 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(F)c1 ZINC000925581617 648226864 /nfs/dbraw/zinc/22/68/64/648226864.db2.gz UCMLVADJUUDHCH-CHWSQXEVSA-N 2 0 280.387 2.830 20 0 CFADRP CS[C@@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925585613 648228446 /nfs/dbraw/zinc/22/84/46/648228446.db2.gz HVDOYDRSFPOZME-JSGCOSHPSA-N 2 0 252.427 2.808 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925585768 648228650 /nfs/dbraw/zinc/22/86/50/648228650.db2.gz WWZCQKQTECHBPA-PMPSAXMXSA-N 2 0 294.483 2.950 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925592549 648230132 /nfs/dbraw/zinc/23/01/32/648230132.db2.gz WTWXZBQXPJYMLZ-HOTGVXAUSA-N 2 0 288.435 2.832 20 0 CFADRP c1ccc(CC2([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CCC2)cc1 ZINC000925596815 648232893 /nfs/dbraw/zinc/23/28/93/648232893.db2.gz TWMBOMPACYJYAS-TXTZMMAHSA-N 2 0 282.431 2.738 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C12CCC2 ZINC000925597129 648233122 /nfs/dbraw/zinc/23/31/22/648233122.db2.gz GOTIVODNNXYWQU-ZIAGYGMSSA-N 2 0 282.790 2.881 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C12CCC2 ZINC000925604337 648235988 /nfs/dbraw/zinc/23/59/88/648235988.db2.gz JPGNMDUJIQPEOO-YHUYYLMFSA-N 2 0 256.393 2.792 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C12CCC2 ZINC000925604334 648236289 /nfs/dbraw/zinc/23/62/89/648236289.db2.gz JPGNMDUJIQPEOO-FPCVCCKLSA-N 2 0 256.393 2.792 20 0 CFADRP CC(C)[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+]1CCCC1 ZINC000925606662 648237718 /nfs/dbraw/zinc/23/77/18/648237718.db2.gz PMRXJGKMGQUVDW-XHSDSOJGSA-N 2 0 281.488 2.602 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)c1ccc(F)cc1 ZINC000925610429 648238556 /nfs/dbraw/zinc/23/85/56/648238556.db2.gz FAAOWFQTFVYMCS-SRMUXQRQSA-N 2 0 294.414 2.743 20 0 CFADRP Cc1cc(C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)[nH]n1 ZINC000925619652 648242456 /nfs/dbraw/zinc/24/24/56/648242456.db2.gz QDJLISXCPUTZDG-DYVFJYSZSA-N 2 0 286.423 2.719 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCCCC1 ZINC000925622662 648245557 /nfs/dbraw/zinc/24/55/57/648245557.db2.gz MGVCZMZOLPIHSM-OAHLLOKOSA-N 2 0 280.456 2.584 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925624299 648245621 /nfs/dbraw/zinc/24/56/21/648245621.db2.gz ZIAQHFLRKGCSPO-MSOLQXFVSA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925625955 648246107 /nfs/dbraw/zinc/24/61/07/648246107.db2.gz JJAIICLYYFLBTA-KKUMJFAQSA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925625954 648246619 /nfs/dbraw/zinc/24/66/19/648246619.db2.gz JJAIICLYYFLBTA-KFWWJZLASA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925630086 648249078 /nfs/dbraw/zinc/24/90/78/648249078.db2.gz QGQICNDUOVCAPN-BZUAXINKSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925635130 648253784 /nfs/dbraw/zinc/25/37/84/648253784.db2.gz MMEFHWCRFDFUGT-LVQVYYBASA-N 2 0 294.483 2.541 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925634805 648254101 /nfs/dbraw/zinc/25/41/01/648254101.db2.gz PTEHJLSYAPMLPL-JKSUJKDBSA-N 2 0 273.424 2.738 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCCS1 ZINC000925636607 648255363 /nfs/dbraw/zinc/25/53/63/648255363.db2.gz YRICPPOREZAQHW-OLZOCXBDSA-N 2 0 254.443 2.536 20 0 CFADRP COCCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCCC1 ZINC000925645884 648258937 /nfs/dbraw/zinc/25/89/37/648258937.db2.gz SLXOBWTVRAXJCZ-DMRKSPOLSA-N 2 0 292.467 2.559 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925645278 648259351 /nfs/dbraw/zinc/25/93/51/648259351.db2.gz PFGGVZCQYIZJHD-BVUBDWEXSA-N 2 0 250.430 2.933 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925648871 648260605 /nfs/dbraw/zinc/26/06/05/648260605.db2.gz YHFNKGLTDOJKRZ-GPANFISMSA-N 2 0 280.456 2.846 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccnn1C ZINC000925649841 648261928 /nfs/dbraw/zinc/26/19/28/648261928.db2.gz PICQHXJAYSEHBN-ZNMIVQPWSA-N 2 0 292.471 2.655 20 0 CFADRP C[C@H](N)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662439 648268448 /nfs/dbraw/zinc/26/84/48/648268448.db2.gz ZYGQNJHAHYCCLP-KSSFIOAISA-N 2 0 287.451 2.539 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)C12CCC2 ZINC000925663444 648268468 /nfs/dbraw/zinc/26/84/68/648268468.db2.gz SLINVXYJONFZJY-HOTGVXAUSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@H](N)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662437 648268621 /nfs/dbraw/zinc/26/86/21/648268621.db2.gz ZYGQNJHAHYCCLP-KBXCAEBGSA-N 2 0 287.451 2.539 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925667327 648271079 /nfs/dbraw/zinc/27/10/79/648271079.db2.gz QGXAEXSRXJNUTE-IHRRRGAJSA-N 2 0 268.470 2.638 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925669773 648271623 /nfs/dbraw/zinc/27/16/23/648271623.db2.gz XMELHLCDJRWHHR-HZPDHXFCSA-N 2 0 282.472 2.807 20 0 CFADRP C[C@@H]1COCC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925669334 648271638 /nfs/dbraw/zinc/27/16/38/648271638.db2.gz AQCAERPCKRKOCO-PVAVHDDUSA-N 2 0 276.424 2.729 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2COc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925669795 648272554 /nfs/dbraw/zinc/27/25/54/648272554.db2.gz XYYFICJSZPPINT-IRWJRLHMSA-N 2 0 286.419 2.529 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000925676371 648275842 /nfs/dbraw/zinc/27/58/42/648275842.db2.gz IMZQPNWSUZEEEQ-KKUMJFAQSA-N 2 0 296.842 2.869 20 0 CFADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)cc1 ZINC000925678253 648276172 /nfs/dbraw/zinc/27/61/72/648276172.db2.gz UABMBAPFHZZDIN-GCLULJIHSA-N 2 0 286.394 2.658 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925678902 648276208 /nfs/dbraw/zinc/27/62/08/648276208.db2.gz AJAOLNGPJLCQSU-HIFRSBDPSA-N 2 0 264.413 2.606 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCC2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925678760 648276274 /nfs/dbraw/zinc/27/62/74/648276274.db2.gz GERCUJPJWRNZGO-CABCVRRESA-N 2 0 268.445 2.689 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000925678762 648276530 /nfs/dbraw/zinc/27/65/30/648276530.db2.gz GERCUJPJWRNZGO-HUUCEWRRSA-N 2 0 268.445 2.689 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925687960 648280326 /nfs/dbraw/zinc/28/03/26/648280326.db2.gz AQYBCFRBOLBILB-IRXDYDNUSA-N 2 0 294.483 2.951 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925687080 648280483 /nfs/dbraw/zinc/28/04/83/648280483.db2.gz FHSNIALHHJVINK-BHYGNILZSA-N 2 0 285.435 2.817 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1(O)CCCC1 ZINC000925688592 648281169 /nfs/dbraw/zinc/28/11/69/648281169.db2.gz FDHLGMANHYRKGU-AWEZNQCLSA-N 2 0 280.456 2.582 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925696090 648283538 /nfs/dbraw/zinc/28/35/38/648283538.db2.gz YXGWBDRNYMZJNN-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)(F)F ZINC000925698647 648285364 /nfs/dbraw/zinc/28/53/64/648285364.db2.gz SYSXVXIGSDJBND-USZNOCQGSA-N 2 0 278.362 2.941 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925703208 648286185 /nfs/dbraw/zinc/28/61/85/648286185.db2.gz CFBSLPWBKNHFBC-FUHWJXTLSA-N 2 0 285.435 2.644 20 0 CFADRP C[C@H]1CC[C@@](C)(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1(C)C ZINC000925704420 648287390 /nfs/dbraw/zinc/28/73/90/648287390.db2.gz GZXQJWGSCUAZKV-LGYSWQCXSA-N 2 0 294.483 2.791 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)[C@@H]1C1CCC1 ZINC000925706967 648288076 /nfs/dbraw/zinc/28/80/76/648288076.db2.gz PTSKSRQNUUUMKM-LUKYLMHMSA-N 2 0 262.441 2.933 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925707314 648289193 /nfs/dbraw/zinc/28/91/93/648289193.db2.gz PBAUBKMOXPCFML-WCXIOVBPSA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000925708385 648289493 /nfs/dbraw/zinc/28/94/93/648289493.db2.gz LJDIQMOUUADCKK-FOHUVRMVSA-N 2 0 262.441 2.918 20 0 CFADRP COCC1(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925708479 648289549 /nfs/dbraw/zinc/28/95/49/648289549.db2.gz SQNYGMUPHWRHNW-INIZCTEOSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925709739 648290770 /nfs/dbraw/zinc/29/07/70/648290770.db2.gz VICJABDFTGTROV-HRCADAONSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000925712065 648291422 /nfs/dbraw/zinc/29/14/22/648291422.db2.gz ZVIPASMREDZXAS-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C[C@@]1(F)Cl ZINC000925711344 648291469 /nfs/dbraw/zinc/29/14/69/648291469.db2.gz MRBSUOMPPMDJKK-DYEKYZERSA-N 2 0 274.811 2.955 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccn1 ZINC000925714480 648292950 /nfs/dbraw/zinc/29/29/50/648292950.db2.gz RMDINXPFWKQDOD-KYJSFNMBSA-N 2 0 287.451 2.943 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCc2ccco2)C1 ZINC000925716405 648294813 /nfs/dbraw/zinc/29/48/13/648294813.db2.gz QCWQGHIMGQHDNE-STQMWFEESA-N 2 0 250.386 2.708 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc2c(c1)CCCO2 ZINC000925715783 648295144 /nfs/dbraw/zinc/29/51/44/648295144.db2.gz HQTRTAGSPCVTRQ-VUCTXSBTSA-N 2 0 286.419 2.932 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC2SCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925718262 648296178 /nfs/dbraw/zinc/29/61/78/648296178.db2.gz YUEULWPZIHDRGT-KGYLQXTDSA-N 2 0 286.510 2.549 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H]3CC[NH2+]C3(C)C)c[nH]c2cc1F ZINC000925721520 648296938 /nfs/dbraw/zinc/29/69/38/648296938.db2.gz DCVDFRLHFJQDNB-MRXNPFEDSA-N 2 0 289.398 2.888 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)nc1 ZINC000925720853 648297128 /nfs/dbraw/zinc/29/71/28/648297128.db2.gz VFNFAEJVPWBYFY-HIFRSBDPSA-N 2 0 273.424 2.527 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925721642 648297155 /nfs/dbraw/zinc/29/71/55/648297155.db2.gz PPRZFKUZURXBFD-BFHYXJOUSA-N 2 0 272.383 2.790 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)C12CCC2 ZINC000925723046 648298229 /nfs/dbraw/zinc/29/82/29/648298229.db2.gz QNGFJNLVQXKPSD-QLFBSQMISA-N 2 0 278.440 2.585 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCS2)C[C@@H]([NH3+])C1 ZINC000925721903 648298319 /nfs/dbraw/zinc/29/83/19/648298319.db2.gz HYNJZARQJSDLCD-FRRDWIJNSA-N 2 0 256.459 2.768 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925725761 648298846 /nfs/dbraw/zinc/29/88/46/648298846.db2.gz VTRYTRLTLFQLPS-KBMXLJTQSA-N 2 0 282.497 2.888 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C12CCC2 ZINC000925728145 648299607 /nfs/dbraw/zinc/29/96/07/648299607.db2.gz JIMWLJLLPAVDIM-GJZGRUSLSA-N 2 0 255.365 2.527 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC(F)F ZINC000925732479 648301873 /nfs/dbraw/zinc/30/18/73/648301873.db2.gz BTRKIUDLEZXZRQ-SDDRHHMPSA-N 2 0 260.372 2.646 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)C1 ZINC000925731778 648301998 /nfs/dbraw/zinc/30/19/98/648301998.db2.gz UZUUWKBRDHPNLV-NWDGAFQWSA-N 2 0 289.379 2.529 20 0 CFADRP c1cc(CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)sn1 ZINC000925731907 648302113 /nfs/dbraw/zinc/30/21/13/648302113.db2.gz NKIJKPGFRRJEQV-GOEBONIOSA-N 2 0 287.432 2.769 20 0 CFADRP COCC(C)(C)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925732021 648302400 /nfs/dbraw/zinc/30/24/00/648302400.db2.gz WLQPUJUEABDYGL-OLZOCXBDSA-N 2 0 256.434 2.545 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(CC)CC ZINC000925740005 648305753 /nfs/dbraw/zinc/30/57/53/648305753.db2.gz FYGXVVIEQAAQJP-OLZOCXBDSA-N 2 0 256.434 2.687 20 0 CFADRP COc1ccccc1C[C@H]([NH2+]CCC(C)(C)[NH3+])C(C)C ZINC000925742059 648306570 /nfs/dbraw/zinc/30/65/70/648306570.db2.gz OQGKTINZQKYOHH-HNNXBMFYSA-N 2 0 278.440 2.979 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742652 648306598 /nfs/dbraw/zinc/30/65/98/648306598.db2.gz WFPMDYRTXUDLLA-STQMWFEESA-N 2 0 256.434 2.543 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742157 648306711 /nfs/dbraw/zinc/30/67/11/648306711.db2.gz PYLMPPDPFMETCM-QWHCGFSZSA-N 2 0 256.434 2.687 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000925758135 648310218 /nfs/dbraw/zinc/31/02/18/648310218.db2.gz BMKFPSIAJGYWKI-ZDUSSCGKSA-N 2 0 289.423 2.909 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000925760561 648311772 /nfs/dbraw/zinc/31/17/72/648311772.db2.gz YLYLSTLMJIHLNA-AWEZNQCLSA-N 2 0 289.423 2.607 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CCC3)CO2)c2ccccc21 ZINC000925771725 648315559 /nfs/dbraw/zinc/31/55/59/648315559.db2.gz CRIDROVRQDIPGW-WQVCFCJDSA-N 2 0 272.392 2.680 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925775136 648316886 /nfs/dbraw/zinc/31/68/86/648316886.db2.gz OJZKBPQPLAILOM-HUUCEWRRSA-N 2 0 294.414 2.872 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000925779371 648320046 /nfs/dbraw/zinc/32/00/46/648320046.db2.gz XVRQAWABSNOZET-OLZOCXBDSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925780562 648321214 /nfs/dbraw/zinc/32/12/14/648321214.db2.gz TXXGTQJSDWSNKM-DZGCQCFKSA-N 2 0 280.362 2.817 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925790850 648324019 /nfs/dbraw/zinc/32/40/19/648324019.db2.gz LRJFFLFRVRBCAA-ZLDLUXBVSA-N 2 0 250.361 2.722 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799885 648327138 /nfs/dbraw/zinc/32/71/38/648327138.db2.gz OVPXHLMQFSQZJF-QLFBSQMISA-N 2 0 276.424 2.900 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799202 648327204 /nfs/dbraw/zinc/32/72/04/648327204.db2.gz NRRIBNIDUHTGOW-CKEIUWERSA-N 2 0 258.409 2.818 20 0 CFADRP CSC1CCC(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925803383 648328011 /nfs/dbraw/zinc/32/80/11/648328011.db2.gz YTHKZWQZPGPTNG-XSCHDIRWSA-N 2 0 270.486 2.886 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000925804054 648328273 /nfs/dbraw/zinc/32/82/73/648328273.db2.gz YSKTXYDVPDLHEO-XNRPHZJLSA-N 2 0 296.842 2.863 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804807 648329475 /nfs/dbraw/zinc/32/94/75/648329475.db2.gz MSFUFVQKPVAPGM-CRAIPNDOSA-N 2 0 298.434 2.522 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925809663 648330615 /nfs/dbraw/zinc/33/06/15/648330615.db2.gz SJPLWZLWSAQIHI-KRWDZBQOSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000925809389 648331210 /nfs/dbraw/zinc/33/12/10/648331210.db2.gz UONHFTWUZRISTI-AWEZNQCLSA-N 2 0 278.444 2.631 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc21 ZINC000925813750 648331983 /nfs/dbraw/zinc/33/19/83/648331983.db2.gz WJDFOKCHPMRXFG-HRCADAONSA-N 2 0 298.434 2.584 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnc2ccccc2c1 ZINC000925829332 648336164 /nfs/dbraw/zinc/33/61/64/648336164.db2.gz BBNPPDDOPUAOIU-GIOYIUAESA-N 2 0 295.430 2.883 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000925829863 648336181 /nfs/dbraw/zinc/33/61/81/648336181.db2.gz ALNWURPBQVAOIE-IRCOFANPSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000925833244 648337036 /nfs/dbraw/zinc/33/70/36/648337036.db2.gz ZNDHRNTUMUMEPY-GRYCIOLGSA-N 2 0 282.350 2.594 20 0 CFADRP Cc1cnc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000925832046 648337392 /nfs/dbraw/zinc/33/73/92/648337392.db2.gz BAAKJZZHYMASFQ-ZDUSSCGKSA-N 2 0 284.407 2.711 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925832471 648337478 /nfs/dbraw/zinc/33/74/78/648337478.db2.gz WRUULMRFRIJILR-CYDGBPFRSA-N 2 0 294.361 2.594 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2ccccc21 ZINC000925834248 648338275 /nfs/dbraw/zinc/33/82/75/648338275.db2.gz YAJJJNGAMSVVQG-MHNYQROPSA-N 2 0 270.298 2.919 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)s1 ZINC000925842957 648342568 /nfs/dbraw/zinc/34/25/68/648342568.db2.gz CQCPULJSASDBCW-HNNXBMFYSA-N 2 0 295.496 2.783 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCSC3(CCC3)C1)[NH2+]2 ZINC000925855247 648346176 /nfs/dbraw/zinc/34/61/76/648346176.db2.gz CGMRUHFLOOKXRC-FQKPHLNHSA-N 2 0 280.481 2.923 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000925860878 648347750 /nfs/dbraw/zinc/34/77/50/648347750.db2.gz LILXBKVNHSETRW-JBCIKUTRSA-N 3 0 293.499 2.889 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925861641 648347963 /nfs/dbraw/zinc/34/79/63/648347963.db2.gz RKSGMKKDFHFKKQ-ORBLRFAASA-N 3 0 279.472 2.501 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000925862269 648348302 /nfs/dbraw/zinc/34/83/02/648348302.db2.gz ZKBPDVUDGJYDNY-YZUHTNEWSA-N 3 0 279.472 2.643 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000925872337 648351522 /nfs/dbraw/zinc/35/15/22/648351522.db2.gz SZBVPCNIICKFLM-SUMWQHHRSA-N 2 0 296.418 2.972 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879455 648353971 /nfs/dbraw/zinc/35/39/71/648353971.db2.gz FBOWBRXVTLPLCM-SUNKGSAMSA-N 2 0 278.371 2.539 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1OC ZINC000925880373 648354023 /nfs/dbraw/zinc/35/40/23/648354023.db2.gz QIQDFDJAQVHBFS-MJBXVCDLSA-N 2 0 292.423 2.790 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCCCC2 ZINC000925882508 648354646 /nfs/dbraw/zinc/35/46/46/648354646.db2.gz NRJDWDHQZSRJTK-QXSJWSMHSA-N 2 0 280.456 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(CC)CC ZINC000925883898 648355366 /nfs/dbraw/zinc/35/53/66/648355366.db2.gz YSQYPQPAMJWTPV-CBBWQLFWSA-N 2 0 268.445 2.687 20 0 CFADRP COC1CCC([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CC1 ZINC000925887081 648356389 /nfs/dbraw/zinc/35/63/89/648356389.db2.gz QVOLJXXGRRFGQL-KUPNBSADSA-N 2 0 288.435 2.593 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1(Br)CC1 ZINC000926113524 648407527 /nfs/dbraw/zinc/40/75/27/648407527.db2.gz HESDINLPNGZMAH-LLVKDONJSA-N 2 0 289.261 2.624 20 0 CFADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926114587 648408305 /nfs/dbraw/zinc/40/83/05/648408305.db2.gz PHDAQYKKSSRPGA-CYBMUJFWSA-N 2 0 277.412 2.682 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000926114228 648408476 /nfs/dbraw/zinc/40/84/76/648408476.db2.gz LLFSYSYSZVIOHR-JKSUJKDBSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC(NCC2([NH+](C)C)CCC2)CC1 ZINC000926236619 648444337 /nfs/dbraw/zinc/44/43/37/648444337.db2.gz CNMBYJZRDXDTFP-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926336332 648465698 /nfs/dbraw/zinc/46/56/98/648465698.db2.gz ASUGZRJXZPWJGW-KSSFIOAISA-N 2 0 290.451 2.950 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)CO ZINC000926351252 648469936 /nfs/dbraw/zinc/46/99/36/648469936.db2.gz PYFBIIHLQKTYTH-GDBMZVCRSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1(C)C ZINC000926358146 648471564 /nfs/dbraw/zinc/47/15/64/648471564.db2.gz VHBYSJSNNWFLDF-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CCC1 ZINC000926360922 648471690 /nfs/dbraw/zinc/47/16/90/648471690.db2.gz KUFKCDWWBGUSPN-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCOC[C@H]2C)CC1 ZINC000926411229 648480533 /nfs/dbraw/zinc/48/05/33/648480533.db2.gz RHSHVNHQELQNPL-CVEARBPZSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926422308 648483049 /nfs/dbraw/zinc/48/30/49/648483049.db2.gz SRBALZPMUNCVLM-PBHICJAKSA-N 2 0 278.440 2.663 20 0 CFADRP CO[C@@](C)(C[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926456016 648494295 /nfs/dbraw/zinc/49/42/95/648494295.db2.gz CYPYPQPLQGFECV-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)OC ZINC000926461000 648496416 /nfs/dbraw/zinc/49/64/16/648496416.db2.gz HSOYNQFQMYPOPQ-CZUORRHYSA-N 2 0 264.413 2.824 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000926488268 648506341 /nfs/dbraw/zinc/50/63/41/648506341.db2.gz YHMBMQJLESTYRY-AWEZNQCLSA-N 2 0 293.459 2.523 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C(C)(C)O ZINC000926491649 648508599 /nfs/dbraw/zinc/50/85/99/648508599.db2.gz YTLSDKAENZUAJG-CJNGLKHVSA-N 2 0 278.440 2.948 20 0 CFADRP C[C@H](CCO)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926501494 648511433 /nfs/dbraw/zinc/51/14/33/648511433.db2.gz YDVMFTUNVWHLJB-GJZGRUSLSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@H](CCCCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926509225 648513842 /nfs/dbraw/zinc/51/38/42/648513842.db2.gz IYBYWIFHCPWPLW-HUUCEWRRSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCCO)c1cccc(C[NH+](C)C)c1 ZINC000926509227 648513982 /nfs/dbraw/zinc/51/39/82/648513982.db2.gz IYBYWIFHCPWPLW-LSDHHAIUSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccnn1C1CCC1 ZINC000926532633 648521018 /nfs/dbraw/zinc/52/10/18/648521018.db2.gz BMOGYTVOQCJRKP-WPXLMEDKSA-N 2 0 288.439 2.884 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cn2c(n1)CCCC2 ZINC000926573752 648538874 /nfs/dbraw/zinc/53/88/74/648538874.db2.gz PLFPJPPULUQAFI-CABCVRRESA-N 2 0 290.455 2.602 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000926575047 648539317 /nfs/dbraw/zinc/53/93/17/648539317.db2.gz XBJWYMSKTMSDGL-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000926573363 648539456 /nfs/dbraw/zinc/53/94/56/648539456.db2.gz LWCFCGCPVUKFFH-AVOUXACISA-N 2 0 268.470 2.735 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)Cc1ccccn1 ZINC000926643902 648559549 /nfs/dbraw/zinc/55/95/49/648559549.db2.gz CWUQZYJTMNSOCR-OAHLLOKOSA-N 2 0 263.429 2.580 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000926660779 648566064 /nfs/dbraw/zinc/56/60/64/648566064.db2.gz ZHVQLFUMQCJDAQ-FXJUQPSGSA-N 2 0 291.266 2.890 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926695172 648579084 /nfs/dbraw/zinc/57/90/84/648579084.db2.gz VFJCZDKNAHOIII-WKILWMFISA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926697814 648580023 /nfs/dbraw/zinc/58/00/23/648580023.db2.gz OJBRPYAMKAVZOS-SWLSCSKDSA-N 2 0 298.377 2.823 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc[nH]c(=O)c1 ZINC000926739780 648597825 /nfs/dbraw/zinc/59/78/25/648597825.db2.gz ZCBSCVCMAMVTSM-HIFRSBDPSA-N 2 0 289.423 2.560 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000926763499 648605857 /nfs/dbraw/zinc/60/58/57/648605857.db2.gz PNWLFWOPQIULSH-AESZEHBQSA-N 2 0 282.472 2.898 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C(C)(F)F ZINC000926800799 648622019 /nfs/dbraw/zinc/62/20/19/648622019.db2.gz HQCWMCHQJYHSJH-FOSCPWQOSA-N 2 0 260.372 2.598 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccnnc1 ZINC000926884272 648644520 /nfs/dbraw/zinc/64/45/20/648644520.db2.gz GCBUBQKWESXLFA-OOHWJJMZSA-N 2 0 288.439 2.924 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnccn1 ZINC000927037214 648689495 /nfs/dbraw/zinc/68/94/95/648689495.db2.gz IDTYBIMEFKUIBO-VQCLRJIVSA-N 2 0 274.412 2.534 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CCOCC1 ZINC000927037252 648689622 /nfs/dbraw/zinc/68/96/22/648689622.db2.gz IOOUYWGVUNZEAA-OOHWJJMZSA-N 2 0 280.456 2.798 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927040615 648690265 /nfs/dbraw/zinc/69/02/65/648690265.db2.gz ZHTAKUWKTGJJNP-HLIUYOAVSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927039476 648690536 /nfs/dbraw/zinc/69/05/36/648690536.db2.gz TVNPVYLZSZEXHT-UHFFFAOYSA-N 3 0 293.499 2.856 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCOC1 ZINC000927040250 648690627 /nfs/dbraw/zinc/69/06/27/648690627.db2.gz ZQDBYFNEJGZHPX-KZYLPZIUSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000929764426 649115759 /nfs/dbraw/zinc/11/57/59/649115759.db2.gz UGLCJMQHMOPLKH-OAGGEKHMSA-N 2 0 250.430 2.696 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930061612 649176355 /nfs/dbraw/zinc/17/63/55/649176355.db2.gz TYORFBYICHBLCA-AESZEHBQSA-N 2 0 262.441 2.981 20 0 CFADRP c1nc(C2CC2)oc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930804313 649327558 /nfs/dbraw/zinc/32/75/58/649327558.db2.gz HKJCZZMYZRNMDW-UHFFFAOYSA-N 2 0 298.390 2.659 20 0 CFADRP COC[C@@H](C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000930804884 649327689 /nfs/dbraw/zinc/32/76/89/649327689.db2.gz CJEZQCQSGWBVFC-MRXNPFEDSA-N 2 0 291.439 2.512 20 0 CFADRP C[NH+](C)C1(C)CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000931355103 649413651 /nfs/dbraw/zinc/41/36/51/649413651.db2.gz OPAOKVFZGMMKSX-UHFFFAOYSA-N 2 0 289.467 2.535 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C)([NH+](C)C)CC1 ZINC000931352654 649413814 /nfs/dbraw/zinc/41/38/14/649413814.db2.gz PBHNAIGKVWMTSQ-MRXNPFEDSA-N 2 0 281.488 2.665 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCC3(F)F)C[C@@H]2C1 ZINC000931442350 649428975 /nfs/dbraw/zinc/42/89/75/649428975.db2.gz DEEQHFRATPPICL-RDBSUJKOSA-N 2 0 272.383 2.695 20 0 CFADRP Cc1nnsc1[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931466592 649434787 /nfs/dbraw/zinc/43/47/87/649434787.db2.gz FEYYSHFLSBYUMH-CYBMUJFWSA-N 2 0 294.468 2.715 20 0 CFADRP CC1CC(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000931465078 649435003 /nfs/dbraw/zinc/43/50/03/649435003.db2.gz OCFWHHUTNSBKIB-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP CCc1cccc(CN2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931517591 649445898 /nfs/dbraw/zinc/44/58/98/649445898.db2.gz CSBRXIDCHMHMKI-UHFFFAOYSA-N 2 0 267.376 2.785 20 0 CFADRP C[C@H]1CCC[C@H](C[N@@H+]2CCc3nccc(N)c3C2)C1 ZINC000931518236 649446457 /nfs/dbraw/zinc/44/64/57/649446457.db2.gz JFCLLZZLTRLQBT-STQMWFEESA-N 2 0 259.397 2.848 20 0 CFADRP COc1cccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000931546160 649451475 /nfs/dbraw/zinc/45/14/75/649451475.db2.gz JIIUNXRRRMQBEC-CVEARBPZSA-N 2 0 274.408 2.530 20 0 CFADRP COC/C(C)=C/C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000931703185 649475844 /nfs/dbraw/zinc/47/58/44/649475844.db2.gz VFYJIHFFHGGBTN-CXUHLZMHSA-N 2 0 268.445 2.777 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931808378 649493161 /nfs/dbraw/zinc/49/31/61/649493161.db2.gz FIPFHAKPNNISHA-AEFFLSMTSA-N 2 0 298.430 2.729 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1COC(C)(C)C ZINC000932167523 649556612 /nfs/dbraw/zinc/55/66/12/649556612.db2.gz WQHCXEYBGQFTKL-LSDHHAIUSA-N 2 0 268.445 2.750 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000932275215 649573123 /nfs/dbraw/zinc/57/31/23/649573123.db2.gz NLQBBLFUSWOCIO-SZMVWBNQSA-N 2 0 290.451 2.567 20 0 CFADRP CCC[C@](C)([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000934180948 649757427 /nfs/dbraw/zinc/75/74/27/649757427.db2.gz YPTJVYMXKZLDAZ-IRXDYDNUSA-N 2 0 278.440 2.604 20 0 CFADRP CCCCC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000934204931 649760378 /nfs/dbraw/zinc/76/03/78/649760378.db2.gz HJNDACSXLITIRZ-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696807 649816473 /nfs/dbraw/zinc/81/64/73/649816473.db2.gz UZFCVOOURPCBAM-HOTGVXAUSA-N 2 0 259.397 2.607 20 0 CFADRP F[C@@H](c1ccnc(Cl)c1)n1cncc1C1CC[NH2+]CC1 ZINC001155057472 782191156 /nfs/dbraw/zinc/19/11/56/782191156.db2.gz JZLCOXGLRCTWBR-CQSZACIVSA-N 2 0 294.761 2.915 20 0 CFADRP CN(c1cc(OC2CC[NH+](C)CC2)cc[nH+]1)C(C)(C)C ZINC001165021908 721834169 /nfs/dbraw/zinc/83/41/69/721834169.db2.gz MYMAJGGIVRZYDB-UHFFFAOYSA-N 2 0 277.412 2.789 20 0 CFADRP Cn1ccc2c1cc[nH+]c2N1CC[NH+](C2CCCC2)CC1 ZINC001165029866 721854273 /nfs/dbraw/zinc/85/42/73/721854273.db2.gz OBJYBAFSNZNHRI-UHFFFAOYSA-N 2 0 284.407 2.638 20 0 CFADRP Nc1ncccc1-c1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001243474055 782222917 /nfs/dbraw/zinc/22/29/17/782222917.db2.gz ILYBUGIVEJCHCU-UHFFFAOYSA-N 2 0 277.371 2.979 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723691543 770650281 /nfs/dbraw/zinc/65/02/81/770650281.db2.gz PVVPBKMRZGGQJJ-GHMZBOCLSA-N 2 0 254.324 2.697 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723696507 770651461 /nfs/dbraw/zinc/65/14/61/770651461.db2.gz WETGSMXKYLBPOU-AWEZNQCLSA-N 2 0 262.397 2.645 20 0 CFADRP c1ccc(CC[N@@H+](Cc2ccccc2)CC2C[NH2+]C2)cc1 ZINC001235949171 778622873 /nfs/dbraw/zinc/62/28/73/778622873.db2.gz YPPIOUMZBRKFIA-UHFFFAOYSA-N 2 0 280.415 2.951 20 0 CFADRP C[C@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H](C)C1 ZINC001235819621 778566646 /nfs/dbraw/zinc/56/66/46/778566646.db2.gz GBJIXASBJRHZIF-KBPBESRZSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925228 778611692 /nfs/dbraw/zinc/61/16/92/778611692.db2.gz LIACDMSASFNZPJ-LBPRGKRZSA-N 2 0 252.789 2.962 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(Oc3ccccc3)CC2)C1 ZINC001208605993 769909268 /nfs/dbraw/zinc/90/92/68/769909268.db2.gz CUSXTSLHKWJKJI-MRXNPFEDSA-N 2 0 288.435 2.872 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC001208606121 769910354 /nfs/dbraw/zinc/91/03/54/769910354.db2.gz CXTIMKYGHPIOQZ-HUUCEWRRSA-N 2 0 276.399 2.957 20 0 CFADRP C[NH+]1CCC(CN2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001208696209 769924780 /nfs/dbraw/zinc/92/47/80/769924780.db2.gz QDDUWIYNSUWFPO-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP CC[NH+](CC)CCN1CC[NH+](CC2(C)CCCCC2)CC1 ZINC001208898090 769958323 /nfs/dbraw/zinc/95/83/23/769958323.db2.gz MVZSCZDEOKEJBI-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721445272 770434012 /nfs/dbraw/zinc/43/40/12/770434012.db2.gz DJWBUFCQRPMXIT-QWHCGFSZSA-N 2 0 294.361 2.560 20 0 CFADRP Cn1c[nH+]cc1Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001211250382 770465258 /nfs/dbraw/zinc/46/52/58/770465258.db2.gz JGHVJCWFSWJIDU-UHFFFAOYSA-N 2 0 286.379 2.637 20 0 CFADRP C([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000723637717 770631803 /nfs/dbraw/zinc/63/18/03/770631803.db2.gz SVYVDEAILPOVPQ-XHSDSOJGSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000723679943 770649710 /nfs/dbraw/zinc/64/97/10/770649710.db2.gz LUIVOQYPVCKFJB-LLVKDONJSA-N 2 0 277.393 2.574 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723696544 770652149 /nfs/dbraw/zinc/65/21/49/770652149.db2.gz WZNOHKWNZDNRTB-CQSZACIVSA-N 2 0 262.397 2.646 20 0 CFADRP Cc1cc(C)nc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000723846371 770682961 /nfs/dbraw/zinc/68/29/61/770682961.db2.gz RIGQQLXWKZSUJB-BBRMVZONSA-N 2 0 261.413 2.648 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723895333 770709027 /nfs/dbraw/zinc/70/90/27/770709027.db2.gz VHGJZWRWVVDSGF-DGCLKSJQSA-N 2 0 252.789 2.757 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900337 770709733 /nfs/dbraw/zinc/70/97/33/770709733.db2.gz AINPYZPIJADFDX-TZMCWYRMSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723902154 770710119 /nfs/dbraw/zinc/71/01/19/770710119.db2.gz MSVQASOIQCOBSQ-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000723959906 770721322 /nfs/dbraw/zinc/72/13/22/770721322.db2.gz SWUNMMDRWJARGC-LBDPXKHJSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCOC1 ZINC000723958448 770721622 /nfs/dbraw/zinc/72/16/22/770721622.db2.gz JECHEVOARLFDNR-FPCVCCKLSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723978449 770731832 /nfs/dbraw/zinc/73/18/32/770731832.db2.gz GZHKMNBXUUNFDL-RDJZCZTQSA-N 2 0 280.456 2.654 20 0 CFADRP c1ccc(C2CC([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)cc1 ZINC000690728041 770789533 /nfs/dbraw/zinc/78/95/33/770789533.db2.gz XUVAPIIVTZNLEJ-WVNADHTGSA-N 2 0 268.404 2.519 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC001207288744 770910964 /nfs/dbraw/zinc/91/09/64/770910964.db2.gz VDENHBMXDCCWPY-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000690744044 770938836 /nfs/dbraw/zinc/93/88/36/770938836.db2.gz WVJJJTGQNCMUFY-GFCCVEGCSA-N 2 0 252.789 2.819 20 0 CFADRP Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693680647 773213585 /nfs/dbraw/zinc/21/35/85/773213585.db2.gz PIYVBIBATGYTDK-OWCLPIDISA-N 2 0 258.409 2.861 20 0 CFADRP C[NH+](C)CC[C@H](O[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001224131671 775107902 /nfs/dbraw/zinc/10/79/02/775107902.db2.gz SEZIQZNOBLEJAL-IRXDYDNUSA-N 2 0 276.424 2.790 20 0 CFADRP FC1(C2CC2)CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000724806638 775112000 /nfs/dbraw/zinc/11/20/00/775112000.db2.gz MOJKKGTZLWIOSG-CYBMUJFWSA-N 2 0 254.393 2.590 20 0 CFADRP C[C@@H]([NH2+]CCC1SCCS1)C1CC[NH+](C)CC1 ZINC000693792028 775134943 /nfs/dbraw/zinc/13/49/43/775134943.db2.gz TUSWZRNMNWQNHZ-LLVKDONJSA-N 2 0 274.499 2.503 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721562693 775233510 /nfs/dbraw/zinc/23/35/10/775233510.db2.gz VUBFBQYPAWJWOC-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000235221545 775264924 /nfs/dbraw/zinc/26/49/24/775264924.db2.gz GSTJMNMUGWBXSK-MELADBBJSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)(C)[NH+]1CCC(OCCC[NH+]2CCCC2)CC1 ZINC001224750942 775267004 /nfs/dbraw/zinc/26/70/04/775267004.db2.gz TTWKVYIOHGTSMP-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000721603086 775426947 /nfs/dbraw/zinc/42/69/47/775426947.db2.gz MXWBHNRSVYTLPJ-RDBSUJKOSA-N 2 0 256.434 2.510 20 0 CFADRP Cc1cc(N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)cc[nH+]1 ZINC001277064688 775560104 /nfs/dbraw/zinc/56/01/04/775560104.db2.gz NHZSDRAIHIFRFY-WMLDXEAASA-N 2 0 271.408 2.843 20 0 CFADRP Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccc[nH]2)cc[nH+]1 ZINC001277065505 775565739 /nfs/dbraw/zinc/56/57/39/775565739.db2.gz YPAAGEMLPJSWPL-IRXDYDNUSA-N 2 0 282.391 2.571 20 0 CFADRP Cc1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC001140862755 775581337 /nfs/dbraw/zinc/58/13/37/775581337.db2.gz LFANRHWLOCYJQY-UHFFFAOYSA-N 2 0 261.413 2.549 20 0 CFADRP Cc1cccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC001207439387 775664196 /nfs/dbraw/zinc/66/41/96/775664196.db2.gz RCUBJGJXJVMWJX-UHFFFAOYSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1cc(C[N@@H+](Cc2ccccc2)CC2CC[NH2+]CC2)on1 ZINC001207440861 775675330 /nfs/dbraw/zinc/67/53/30/775675330.db2.gz ICMQMXDPZKEBJB-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC2(C)C)CC1 ZINC001140968531 775714677 /nfs/dbraw/zinc/71/46/77/775714677.db2.gz MFGFOIXXOLXWAO-UHFFFAOYSA-N 2 0 287.451 2.813 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H](SC)C2)C1 ZINC000328353847 775740352 /nfs/dbraw/zinc/74/03/52/775740352.db2.gz OJARUSUCCVFORP-MELADBBJSA-N 2 0 256.459 2.735 20 0 CFADRP CSC(C)(C)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000395324989 775812158 /nfs/dbraw/zinc/81/21/58/775812158.db2.gz OMVDTQWRKLOMAP-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1(Cl)CC1 ZINC000695638133 775900036 /nfs/dbraw/zinc/90/00/36/775900036.db2.gz MQYPUNAHWYGNOF-CYBMUJFWSA-N 2 0 258.837 2.858 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154921 776026096 /nfs/dbraw/zinc/02/60/96/776026096.db2.gz SUEPJRPBFOBDJM-GOSISDBHSA-N 2 0 295.515 2.820 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1cccc(C[NH+](C)C)n1 ZINC001167751103 776078734 /nfs/dbraw/zinc/07/87/34/776078734.db2.gz FZIQPWVQRNLDRW-OAHLLOKOSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2c1CCN2 ZINC001167752067 776081847 /nfs/dbraw/zinc/08/18/47/776081847.db2.gz RAIUABMKHVROEW-CYBMUJFWSA-N 2 0 274.412 2.726 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000124155770 776186927 /nfs/dbraw/zinc/18/69/27/776186927.db2.gz YUJSUDIKXIJWGN-QGZVFWFLSA-N 2 0 294.414 2.523 20 0 CFADRP Clc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000692875342 776469051 /nfs/dbraw/zinc/46/90/51/776469051.db2.gz YMRPTRZRFRHHAY-HNNXBMFYSA-N 2 0 293.842 2.947 20 0 CFADRP CCO[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167825235 776545676 /nfs/dbraw/zinc/54/56/76/776545676.db2.gz IFZOOVAEDAGHQI-HOTGVXAUSA-N 2 0 270.461 2.998 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167826129 776547815 /nfs/dbraw/zinc/54/78/15/776547815.db2.gz MSTIDYQQIWJWEK-CVEARBPZSA-N 2 0 298.471 2.915 20 0 CFADRP CCOC(=O)[C@H]1CCCC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167826132 776548252 /nfs/dbraw/zinc/54/82/52/776548252.db2.gz MSTIDYQQIWJWEK-JKSUJKDBSA-N 2 0 298.471 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001167827455 776550343 /nfs/dbraw/zinc/55/03/43/776550343.db2.gz WMSDTTZHFZNZQX-OAGGEKHMSA-N 2 0 298.471 2.770 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785108 776553017 /nfs/dbraw/zinc/55/30/17/776553017.db2.gz VHLRFMLJCPGMEZ-DAXOMENPSA-N 2 0 264.388 2.590 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001167834179 776573878 /nfs/dbraw/zinc/57/38/78/776573878.db2.gz IOJGYXCIQQQTHF-HZPDHXFCSA-N 2 0 298.471 2.772 20 0 CFADRP CCN(CC)[C@@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167837178 776587691 /nfs/dbraw/zinc/58/76/91/776587691.db2.gz JAHOIGHYUKOKFD-IAGOWNOFSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001167837504 776588196 /nfs/dbraw/zinc/58/81/96/776588196.db2.gz LSFFNDSWNKRKHM-QPSCCSFWSA-N 2 0 256.409 2.929 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1ccon1 ZINC001167837895 776589379 /nfs/dbraw/zinc/58/93/79/776589379.db2.gz NIEIJBOFPMBUDE-ZDUSSCGKSA-N 2 0 253.390 2.617 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]12CCOC2 ZINC001167839458 776591632 /nfs/dbraw/zinc/59/16/32/776591632.db2.gz XTIHYTQLRVAJRP-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001167842832 776614892 /nfs/dbraw/zinc/61/48/92/776614892.db2.gz ZDPMOMIWXUMQJW-DOTOQJQBSA-N 2 0 296.455 2.669 20 0 CFADRP C[NH+](C)C1CCC(Oc2ccc3c(c2)CC[N@@H+](C)C3)CC1 ZINC001228937106 776662922 /nfs/dbraw/zinc/66/29/22/776662922.db2.gz VRSKIKSSPVFFRT-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228937270 776663640 /nfs/dbraw/zinc/66/36/40/776663640.db2.gz XSNBTZHCADQCSO-KRWDZBQOSA-N 2 0 274.408 2.536 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccsc1Cl ZINC000722553132 776759751 /nfs/dbraw/zinc/75/97/51/776759751.db2.gz GMVLLNGUHIKBMH-NXEZZACHSA-N 2 0 258.818 2.737 20 0 CFADRP Cc1cc2cc(NC(=N)SCC[NH3+])ccc2c[nH+]1 ZINC001167915497 776857866 /nfs/dbraw/zinc/85/78/66/776857866.db2.gz HXLNJRLREWVTBN-UHFFFAOYSA-N 2 0 260.366 2.582 20 0 CFADRP C[C@H](c1cccc(O[C@@H]2CCC[N@H+](C)C2)c1)[NH+](C)C ZINC001229628801 776860404 /nfs/dbraw/zinc/86/04/04/776860404.db2.gz XDTYVIOFQHPMOO-CZUORRHYSA-N 2 0 262.397 2.782 20 0 CFADRP C[NH+](C)CCc1ccc(O[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001229658231 776867406 /nfs/dbraw/zinc/86/74/06/776867406.db2.gz SECJGOWCGUIQDG-INIZCTEOSA-N 2 0 276.424 2.654 20 0 CFADRP C[C@@H]1C[N@H+](CCC23CC4CC(CC(C4)C2)C3)C[C@H]1[NH3+] ZINC000300094531 776897272 /nfs/dbraw/zinc/89/72/72/776897272.db2.gz YRBOMKMQFHOVIT-BWAJOPIQSA-N 2 0 262.441 2.872 20 0 CFADRP [NH3+]C1(c2ccccc2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917912 776911737 /nfs/dbraw/zinc/91/17/37/776911737.db2.gz DJGUYAAEIWJUFL-MIFYACCESA-N 2 0 256.393 2.735 20 0 CFADRP C(C[NH+]1CCCC1)OCC1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167932692 776970998 /nfs/dbraw/zinc/97/09/98/776970998.db2.gz YMXVYWIRXBVYNF-PIIMJCKOSA-N 2 0 292.467 2.609 20 0 CFADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284425 776972318 /nfs/dbraw/zinc/97/23/18/776972318.db2.gz DWHUMUQNPHUBIN-HZPDHXFCSA-N 2 0 297.487 2.534 20 0 CFADRP C(C[NH2+]C1CCCCC1)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204727990 776973832 /nfs/dbraw/zinc/97/38/32/776973832.db2.gz ZSTDJICUZPOUSW-UHFFFAOYSA-N 3 0 293.499 2.764 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167938574 776984757 /nfs/dbraw/zinc/98/47/57/776984757.db2.gz FQVWRZRWTFHZJO-MUJYYYPQSA-N 2 0 250.430 2.837 20 0 CFADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000721545695 777002889 /nfs/dbraw/zinc/00/28/89/777002889.db2.gz YMBNNPVTIHEFGN-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[NH+]1CCC([N@H+](C)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167949680 777174193 /nfs/dbraw/zinc/17/41/93/777174193.db2.gz YMPRXWSVIJIAJL-FOLVSLTJSA-N 2 0 250.430 2.981 20 0 CFADRP Cc1cccc(N([C@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)n1 ZINC001167949928 777175880 /nfs/dbraw/zinc/17/58/80/777175880.db2.gz ZWSWUVYAOKNPLG-FOLVSLTJSA-N 2 0 271.408 2.747 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](CCCOc1ccccc1F)CC2 ZINC001277499437 777176975 /nfs/dbraw/zinc/17/69/75/777176975.db2.gz PNTKPDRPXCGBEC-UHFFFAOYSA-N 2 0 292.398 2.622 20 0 CFADRP CC(C)Oc1ncccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001231758132 777327157 /nfs/dbraw/zinc/32/71/57/777327157.db2.gz LPJXIBXOVRXOQQ-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP CSc1ccccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001231785792 777334167 /nfs/dbraw/zinc/33/41/67/777334167.db2.gz FQWKKNZKOSOSPU-UHFFFAOYSA-N 2 0 276.449 2.936 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccnc(C(F)F)c2)CC1 ZINC001231888319 777367927 /nfs/dbraw/zinc/36/79/27/777367927.db2.gz FCZYHHNWGLQNCO-UHFFFAOYSA-N 2 0 283.366 2.793 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712835848 777390113 /nfs/dbraw/zinc/39/01/13/777390113.db2.gz DNLOAJMWZJZGEB-HOTGVXAUSA-N 2 0 298.471 2.772 20 0 CFADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CC(F)(F)C1 ZINC001232011181 777410301 /nfs/dbraw/zinc/41/03/01/777410301.db2.gz IGQNNVUEKZOMEJ-UHFFFAOYSA-N 2 0 251.280 2.792 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001232015002 777412179 /nfs/dbraw/zinc/41/21/79/777412179.db2.gz ZHYSXSFAZJZDCV-MRXNPFEDSA-N 2 0 284.407 2.623 20 0 CFADRP c1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)co1 ZINC001167966309 777418618 /nfs/dbraw/zinc/41/86/18/777418618.db2.gz TXFYLVMAZTWDFN-MQVJKMGUSA-N 2 0 260.381 2.775 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]c2cccc(OC)c12 ZINC001232038028 777420153 /nfs/dbraw/zinc/42/01/53/777420153.db2.gz HPGGGWXXLOQOLW-UHFFFAOYSA-N 2 0 289.423 2.950 20 0 CFADRP O[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167969348 777430883 /nfs/dbraw/zinc/43/08/83/777430883.db2.gz BJUKBDOEFVHQJP-XWDNEUNKSA-N 2 0 292.467 2.533 20 0 CFADRP CC(=O)CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973837 777440430 /nfs/dbraw/zinc/44/04/30/777440430.db2.gz ORNHSNQBFZDVQM-MQVJKMGUSA-N 2 0 278.440 2.739 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@]13CCCOC3)C2 ZINC001167977836 777447017 /nfs/dbraw/zinc/44/70/17/777447017.db2.gz GFIDUWDOQXQZST-FVAVCCDCSA-N 2 0 290.451 2.551 20 0 CFADRP CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C1CCOCC1 ZINC001232147735 777450949 /nfs/dbraw/zinc/45/09/49/777450949.db2.gz SXFDSBYSFMKBOS-UHFFFAOYSA-N 2 0 294.414 2.888 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145431 777451263 /nfs/dbraw/zinc/45/12/63/777451263.db2.gz SEWIPJSZUBOHRQ-LBPRGKRZSA-N 2 0 250.361 2.872 20 0 CFADRP CCOC1CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232147533 777451316 /nfs/dbraw/zinc/45/13/16/777451316.db2.gz PVLOBXAQXBEJPU-UHFFFAOYSA-N 2 0 294.414 2.888 20 0 CFADRP CCOc1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC001232310604 777515002 /nfs/dbraw/zinc/51/50/02/777515002.db2.gz ZPIHVUIQPTVVOS-UHFFFAOYSA-N 2 0 291.439 2.562 20 0 CFADRP NC(=[NH2+])N(c1ccc(F)cc1)c1cccc2c1CC[C@@H]2[NH3+] ZINC001167994307 777527726 /nfs/dbraw/zinc/52/77/26/777527726.db2.gz GZRPSRXUHQLMFW-AWEZNQCLSA-N 2 0 284.338 2.803 20 0 CFADRP C[C@@H]1CC([NH2+]CC(C)(C)O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168004915 777572933 /nfs/dbraw/zinc/57/29/33/777572933.db2.gz BUABIPQOLWSEII-HUUCEWRRSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2COC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005025 777573186 /nfs/dbraw/zinc/57/31/86/777573186.db2.gz DPVHMEFKSLNMNI-JLVBRIDZSA-N 2 0 288.435 2.664 20 0 CFADRP COc1ccccc1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001203438824 777587808 /nfs/dbraw/zinc/58/78/08/777587808.db2.gz RGVVYQMXQAYYQA-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP CC(C)[N@H+](Cc1cccc(CF)n1)C1CCN(C)CC1 ZINC001232541701 777596732 /nfs/dbraw/zinc/59/67/32/777596732.db2.gz ZFELQMGWVJRSBX-UHFFFAOYSA-N 2 0 279.403 2.856 20 0 CFADRP C[C@@H]1CC([NH2+][C@H]2C[C@H](O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015215 777646864 /nfs/dbraw/zinc/64/68/64/777646864.db2.gz PPERTPQXSVVHDZ-DTTOXWODSA-N 2 0 288.435 2.541 20 0 CFADRP C[C@@H]1CC([NH2+]C2(CO)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015230 777648845 /nfs/dbraw/zinc/64/88/45/777648845.db2.gz PTCWQFUIOGEQII-HUUCEWRRSA-N 2 0 288.435 2.543 20 0 CFADRP Cc1cccnc1N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001277707561 777653114 /nfs/dbraw/zinc/65/31/14/777653114.db2.gz JEEQODYADYINHQ-INIZCTEOSA-N 2 0 259.397 2.702 20 0 CFADRP Cc1c(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccnc1Cl ZINC001232758561 777660762 /nfs/dbraw/zinc/66/07/62/777660762.db2.gz ZOLNNNGAPBRYQV-UHFFFAOYSA-N 2 0 279.815 2.571 20 0 CFADRP CC(C)C[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168092114 778019819 /nfs/dbraw/zinc/01/98/19/778019819.db2.gz FCAXBMMHQXGAGG-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168092132 778020509 /nfs/dbraw/zinc/02/05/09/778020509.db2.gz FDNXELMVLYHGGH-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)sc1C ZINC001233691429 778041298 /nfs/dbraw/zinc/04/12/98/778041298.db2.gz CDBJKTHQIFPKHD-UHFFFAOYSA-N 2 0 264.438 2.893 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168104442 778048448 /nfs/dbraw/zinc/04/84/48/778048448.db2.gz UPVPDOHXAJOKNW-VGWMRTNUSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC001168143683 778153736 /nfs/dbraw/zinc/15/37/36/778153736.db2.gz QMHQHGHSDHAOBG-PBHICJAKSA-N 2 0 285.391 2.872 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)ccc2N)CC1 ZINC000093631882 778333764 /nfs/dbraw/zinc/33/37/64/778333764.db2.gz OQUUKHDPFAYDHZ-UHFFFAOYSA-N 2 0 281.831 2.696 20 0 CFADRP CC(C)(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001234979817 778345015 /nfs/dbraw/zinc/34/50/15/778345015.db2.gz SLACFFWVRQWJQO-GASCZTMLSA-N 2 0 258.409 2.506 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000721253347 778347268 /nfs/dbraw/zinc/34/72/68/778347268.db2.gz HDZDREIRDDFVQQ-MOTUXRJWSA-N 2 0 266.429 2.549 20 0 CFADRP Clc1cccc(CCCN2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001235005057 778350226 /nfs/dbraw/zinc/35/02/26/778350226.db2.gz FHADWYVEXQAFIY-DZGCQCFKSA-N 2 0 264.800 2.566 20 0 CFADRP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)c3ccccc3)C[C@H]2CC1 ZINC001277916665 778356275 /nfs/dbraw/zinc/35/62/75/778356275.db2.gz MJNJJBOBZUPPGK-CALCHBBNSA-N 2 0 286.419 2.533 20 0 CFADRP FC(F)(F)c1cccc(CCC[N@@H+]2CCC3(C[NH2+]C3)C2)c1 ZINC001235025076 778357926 /nfs/dbraw/zinc/35/79/26/778357926.db2.gz VDMZWXQQALAJAC-UHFFFAOYSA-N 2 0 298.352 2.933 20 0 CFADRP c1ccc(CCCCC[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235027161 778359601 /nfs/dbraw/zinc/35/96/01/778359601.db2.gz VKTLLJUDNJLHGT-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235036732 778362653 /nfs/dbraw/zinc/36/26/53/778362653.db2.gz MWAJIJKCSIZGES-QZTJIDSGSA-N 2 0 288.435 2.620 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc2c1NCC2 ZINC001235041074 778363203 /nfs/dbraw/zinc/36/32/03/778363203.db2.gz XQFVKUUYXSACGX-GOSISDBHSA-N 2 0 285.435 2.763 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235087035 778376001 /nfs/dbraw/zinc/37/60/01/778376001.db2.gz UODXJEOXVRPIJL-HOCLYGCPSA-N 2 0 270.420 2.779 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235123538 778392689 /nfs/dbraw/zinc/39/26/89/778392689.db2.gz KJGVZKLNYHLKBH-KRWDZBQOSA-N 2 0 279.472 2.517 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235134836 778394780 /nfs/dbraw/zinc/39/47/80/778394780.db2.gz HREKZCINJOWNFU-XHSDSOJGSA-N 2 0 260.425 2.664 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCCC12CC[NH2+]CC2 ZINC001235140231 778394800 /nfs/dbraw/zinc/39/48/00/778394800.db2.gz HFTGZVWJJJRVBB-UHFFFAOYSA-N 2 0 279.472 2.517 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC(C)(C)C ZINC001235187460 778406714 /nfs/dbraw/zinc/40/67/14/778406714.db2.gz ZJXBPSPTVCMQHH-ZNMIVQPWSA-N 2 0 252.446 2.990 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235192881 778408848 /nfs/dbraw/zinc/40/88/48/778408848.db2.gz GHHCEXRPUXVXOZ-ZIAGYGMSSA-N 2 0 298.352 2.789 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168286700 778409962 /nfs/dbraw/zinc/40/99/62/778409962.db2.gz KIUIXSJELWIPOT-QGZVFWFLSA-N 2 0 290.451 2.826 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001168290414 778410125 /nfs/dbraw/zinc/41/01/25/778410125.db2.gz KUBWYCDKVOUFLC-UHFFFAOYSA-N 2 0 261.413 2.779 20 0 CFADRP Cc1cccc(C2([NH2+]C3CCC([NH+](C)C)CC3)COC2)c1 ZINC001168298463 778412354 /nfs/dbraw/zinc/41/23/54/778412354.db2.gz VSQQMRXJFUKRBC-UHFFFAOYSA-N 2 0 288.435 2.683 20 0 CFADRP Cc1c(Cl)ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC001235198701 778412435 /nfs/dbraw/zinc/41/24/35/778412435.db2.gz SQKWSNCUWWBCBF-UKRRQHHQSA-N 2 0 278.827 2.998 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCC(=O)OC(C)(C)C)CC1 ZINC001168299817 778414787 /nfs/dbraw/zinc/41/47/87/778414787.db2.gz NOFBDGQEQJLMKR-UHFFFAOYSA-N 2 0 284.444 2.571 20 0 CFADRP Cc1ccc2[nH]cc(CN3C[C@H]4CCC[NH2+][C@H]4C3)c2c1 ZINC001235209219 778414985 /nfs/dbraw/zinc/41/49/85/778414985.db2.gz JTFGLLNDOKNQDW-DYVFJYSZSA-N 2 0 269.392 2.660 20 0 CFADRP Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)cc2)o1 ZINC001235210088 778416507 /nfs/dbraw/zinc/41/65/07/778416507.db2.gz KCOWDWRPFOPWBQ-QLPKVWCKSA-N 2 0 268.360 2.644 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4)cc3)C[C@H]21 ZINC001235211471 778416656 /nfs/dbraw/zinc/41/66/56/778416656.db2.gz WHAMNALQSIHSRB-PIIMJCKOSA-N 2 0 282.362 2.882 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@H]21 ZINC001235210946 778416949 /nfs/dbraw/zinc/41/69/49/778416949.db2.gz RCWXZENGMWNFNI-PIIMJCKOSA-N 2 0 282.362 2.882 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCCCCCCO)CC1 ZINC001168304381 778418631 /nfs/dbraw/zinc/41/86/31/778418631.db2.gz ZJHFHAANABCQSN-UHFFFAOYSA-N 2 0 270.461 2.782 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2COc3ccccc3C2)CC1 ZINC001168304754 778418543 /nfs/dbraw/zinc/41/85/43/778418543.db2.gz CIDFLBXJXNUHKO-ODIFPOPNSA-N 2 0 288.435 2.700 20 0 CFADRP c1ccc(OCC[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235233497 778424210 /nfs/dbraw/zinc/42/42/10/778424210.db2.gz QYDRIDKUWIEGGN-SFHVURJKSA-N 2 0 288.435 2.920 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCC(OC3CCC3)CC2)CC1 ZINC001168314002 778424376 /nfs/dbraw/zinc/42/43/76/778424376.db2.gz IDDUIHRIAWBABT-UHFFFAOYSA-N 2 0 280.456 2.893 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001168313805 778424381 /nfs/dbraw/zinc/42/43/81/778424381.db2.gz DYYXQTHYCGZVFL-INIZCTEOSA-N 2 0 259.397 2.616 20 0 CFADRP C[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)CCC1(F)F ZINC001168313387 778425058 /nfs/dbraw/zinc/42/50/58/778425058.db2.gz BFVDTFDEIYKXMW-PNESKVBLSA-N 2 0 260.372 2.836 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)sn1 ZINC001235237933 778426451 /nfs/dbraw/zinc/42/64/51/778426451.db2.gz FHWDLGIOLRNABS-OAHLLOKOSA-N 2 0 279.453 2.806 20 0 CFADRP CC(C)=CCC[C@H](C)CCN1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235242404 778429468 /nfs/dbraw/zinc/42/94/68/778429468.db2.gz XEWFBCCVGQFXIP-ULQDDVLXSA-N 2 0 280.456 2.822 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCc1ccc(F)cc1)C2 ZINC001235241407 778429602 /nfs/dbraw/zinc/42/96/02/778429602.db2.gz UCRMORWHKTUOLK-GDBMZVCRSA-N 2 0 262.372 2.572 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001168324775 778432213 /nfs/dbraw/zinc/43/22/13/778432213.db2.gz XCRHGSAQIMRSKN-ABHNRTSZSA-N 2 0 287.451 2.961 20 0 CFADRP C[NH+](C)C1CCC(N2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001168324682 778432424 /nfs/dbraw/zinc/43/24/24/778432424.db2.gz VAVHXCGJKUWBFL-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC001235255197 778434480 /nfs/dbraw/zinc/43/44/80/778434480.db2.gz CZMKLNVBPCUSLI-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP CCc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001235257696 778435851 /nfs/dbraw/zinc/43/58/51/778435851.db2.gz IWHDZTXUURQFHE-UHFFFAOYSA-N 2 0 273.424 2.562 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235261145 778437143 /nfs/dbraw/zinc/43/71/43/778437143.db2.gz OXTCPRQNBNZINM-WRECPOHLSA-N 2 0 274.452 2.887 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]12 ZINC001235283651 778442433 /nfs/dbraw/zinc/44/24/33/778442433.db2.gz FTPAJQTZPNXAKW-BCDXTJNWSA-N 2 0 264.372 2.743 20 0 CFADRP CC(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235283463 778442506 /nfs/dbraw/zinc/44/25/06/778442506.db2.gz OYQFMCCXLQZZQJ-NKGKWGDASA-N 2 0 272.436 2.878 20 0 CFADRP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)cc2)cc1 ZINC001235283654 778442968 /nfs/dbraw/zinc/44/29/68/778442968.db2.gz FULMBNFNOTWRBX-REPLKXPHSA-N 2 0 294.398 2.751 20 0 CFADRP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235285501 778443903 /nfs/dbraw/zinc/44/39/03/778443903.db2.gz SNNKXRDWPHWNFP-REPLKXPHSA-N 2 0 294.398 2.751 20 0 CFADRP CC[N@@H+]1CC[C@@H](O[C@H](CC[NH+](C)C)c2ccccc2)C1 ZINC001224136035 778449668 /nfs/dbraw/zinc/44/96/68/778449668.db2.gz YLBQLFIYQBXIHO-IAGOWNOFSA-N 2 0 276.424 2.790 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335737 778459555 /nfs/dbraw/zinc/45/95/55/778459555.db2.gz PMFZYLSLZUIGOV-UHFFFAOYSA-N 2 0 258.409 2.735 20 0 CFADRP CCc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1 ZINC001235335779 778459596 /nfs/dbraw/zinc/45/95/96/778459596.db2.gz QUMDFHVMWNGJCB-UHFFFAOYSA-N 2 0 258.409 2.680 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339718 778460201 /nfs/dbraw/zinc/46/02/01/778460201.db2.gz YROUMMUYWHWGHY-GJZGRUSLSA-N 2 0 250.430 2.910 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235339695 778460779 /nfs/dbraw/zinc/46/07/79/778460779.db2.gz YMWGQJXDWKGPMG-QGZVFWFLSA-N 2 0 272.436 2.894 20 0 CFADRP c1ccc(CCCC[NH2+]C2CC[NH+](CC3CC3)CC2)nc1 ZINC001168357887 778462990 /nfs/dbraw/zinc/46/29/90/778462990.db2.gz JNYNTRIZVIPJQS-UHFFFAOYSA-N 2 0 287.451 2.868 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365297 778469742 /nfs/dbraw/zinc/46/97/42/778469742.db2.gz NOHZCKUFQYBAIH-FPAYPSAMSA-N 2 0 284.447 2.896 20 0 CFADRP CCOc1cc(O)cc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001235398223 778474531 /nfs/dbraw/zinc/47/45/31/778474531.db2.gz MUJHXPCHHDNAJD-UHFFFAOYSA-N 2 0 292.423 2.565 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235400702 778476422 /nfs/dbraw/zinc/47/64/22/778476422.db2.gz DOMKLVVKDHYIOZ-IAGOWNOFSA-N 2 0 276.399 2.773 20 0 CFADRP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235402856 778476913 /nfs/dbraw/zinc/47/69/13/778476913.db2.gz JZNZCKCNLJTEMH-JKSUJKDBSA-N 2 0 296.817 2.906 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1C ZINC001235406109 778478654 /nfs/dbraw/zinc/47/86/54/778478654.db2.gz PVBQYEUKIGEDIV-IRXDYDNUSA-N 2 0 276.399 2.827 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1C ZINC001235406107 778478701 /nfs/dbraw/zinc/47/87/01/778478701.db2.gz PVBQYEUKIGEDIV-IAGOWNOFSA-N 2 0 276.399 2.827 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1C ZINC001235410493 778481288 /nfs/dbraw/zinc/48/12/88/778481288.db2.gz YFURJWKEIMFWTH-IRXDYDNUSA-N 2 0 276.399 2.827 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1O ZINC001235431050 778486723 /nfs/dbraw/zinc/48/67/23/778486723.db2.gz UDIOOXWZPWPCOZ-SJORKVTESA-N 2 0 288.435 2.912 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001235429492 778486939 /nfs/dbraw/zinc/48/69/39/778486939.db2.gz UFSHNKBTGIUMPB-SJLPKXTDSA-N 3 0 299.462 2.501 20 0 CFADRP Cc1cc(O)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235425324 778487287 /nfs/dbraw/zinc/48/72/87/778487287.db2.gz JEGGXJPXODIFFD-SJORKVTESA-N 2 0 288.435 2.912 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1C[NH2+]C2 ZINC001235429485 778487290 /nfs/dbraw/zinc/48/72/90/778487290.db2.gz UFSHNKBTGIUMPB-FUHWJXTLSA-N 3 0 299.462 2.501 20 0 CFADRP COc1ccccc1CC1CC[NH+](CCCC[NH3+])CC1 ZINC001235443457 778491593 /nfs/dbraw/zinc/49/15/93/778491593.db2.gz QCGMPJGTIKNERA-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP Cc1ccnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC001235588663 778520862 /nfs/dbraw/zinc/52/08/62/778520862.db2.gz PKPFKWAPZZAPDR-UHFFFAOYSA-N 2 0 293.842 2.961 20 0 CFADRP CC[NH2+]CCN1CCC2(CCc3ccc(C)cc32)CC1 ZINC001235609745 778521933 /nfs/dbraw/zinc/52/19/33/778521933.db2.gz YNFQOBLTCXSIEE-UHFFFAOYSA-N 2 0 272.436 2.884 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000697908430 778522582 /nfs/dbraw/zinc/52/25/82/778522582.db2.gz JFSRWDPDWYOJKM-ZIAGYGMSSA-N 2 0 264.413 2.556 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC001235673689 778531498 /nfs/dbraw/zinc/53/14/98/778531498.db2.gz FIDGTORMLAQHBU-UHFFFAOYSA-N 2 0 282.815 2.922 20 0 CFADRP c1ccc(CCC2CC[NH+](CC3C[NH2+]C3)CC2)cc1 ZINC001235676669 778533240 /nfs/dbraw/zinc/53/32/40/778533240.db2.gz UCSNGCSXZNKYNI-UHFFFAOYSA-N 2 0 258.409 2.551 20 0 CFADRP CCc1cc(C[NH+]2CCC(C[NH2+]C)CC2)cc(CC)c1O ZINC001235679501 778533736 /nfs/dbraw/zinc/53/37/36/778533736.db2.gz VIDUVMRBKMIPRO-UHFFFAOYSA-N 2 0 290.451 2.948 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001235680857 778535710 /nfs/dbraw/zinc/53/57/10/778535710.db2.gz YIVQEVNJOJXVHL-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP Cc1ccc(O[C@@H]2CCC[N@H+](CCCCC[NH3+])C2)cc1 ZINC001235686652 778537256 /nfs/dbraw/zinc/53/72/56/778537256.db2.gz AMALQADWDFKIFZ-QGZVFWFLSA-N 2 0 276.424 2.967 20 0 CFADRP CC[C@H]([NH3+])CN1CCC[C@@H](Oc2ccccc2C)C1 ZINC001235690946 778537942 /nfs/dbraw/zinc/53/79/42/778537942.db2.gz IIAIHXGGOOPNNW-LSDHHAIUSA-N 2 0 262.397 2.576 20 0 CFADRP CCN(CC[NH+](CC)CC)Cc1cc2c(s1)CC[NH2+]C2 ZINC001235690739 778538139 /nfs/dbraw/zinc/53/81/39/778538139.db2.gz CLEUAWAQGRTUIE-UHFFFAOYSA-N 2 0 295.496 2.558 20 0 CFADRP CC1(C)CC[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001235689751 778538521 /nfs/dbraw/zinc/53/85/21/778538521.db2.gz BLUOGURXNSPIJM-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP c1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc2c1C[NH2+]C2 ZINC001235703063 778542526 /nfs/dbraw/zinc/54/25/26/778542526.db2.gz QEGAXOMIZGPQSY-UHFFFAOYSA-N 3 0 299.462 2.501 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc2n1 ZINC000697928391 778545445 /nfs/dbraw/zinc/54/54/45/778545445.db2.gz RKBDKHLMVJMRAE-AWEZNQCLSA-N 2 0 271.408 2.973 20 0 CFADRP COc1ccc([C@@H]2CSCC[N@@H+]2CCCC[NH3+])cc1 ZINC001235725128 778547898 /nfs/dbraw/zinc/54/78/98/778547898.db2.gz HGFWTQRWMYBHFL-HNNXBMFYSA-N 2 0 280.437 2.524 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH2+]CC1 ZINC001235759898 778553471 /nfs/dbraw/zinc/55/34/71/778553471.db2.gz FAJRHQQPIVASMS-UHFFFAOYSA-N 2 0 298.333 2.582 20 0 CFADRP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1F ZINC001235799522 778561084 /nfs/dbraw/zinc/56/10/84/778561084.db2.gz HXCHPGFUDYDCLH-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C[C@H]1CC[NH2+]C1 ZINC001235840828 778575728 /nfs/dbraw/zinc/57/57/28/778575728.db2.gz BESYRUWEMRAUFF-HNNXBMFYSA-N 2 0 288.435 2.832 20 0 CFADRP CCCCOc1cccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC001235841937 778576914 /nfs/dbraw/zinc/57/69/14/778576914.db2.gz KKIFHVWEJXMJPJ-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP COCc1cccc(CNC2CC[NH+](CC3CC3)CC2)c1 ZINC001168366508 778576856 /nfs/dbraw/zinc/57/68/56/778576856.db2.gz UUCFQEFWPMMDEL-UHFFFAOYSA-N 2 0 288.435 2.797 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCCC2)C[C@H]1CC[NH2+]C1 ZINC001235841746 778577214 /nfs/dbraw/zinc/57/72/14/778577214.db2.gz IRSVYVPLIDMYFE-AWEZNQCLSA-N 2 0 258.409 2.607 20 0 CFADRP CCCCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC001235841964 778577538 /nfs/dbraw/zinc/57/75/38/778577538.db2.gz KTJRSZOOYASINY-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC001235865344 778584981 /nfs/dbraw/zinc/58/49/81/778584981.db2.gz OAWACLPLTMOSPV-UHFFFAOYSA-N 2 0 296.361 2.598 20 0 CFADRP FC1(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC001235868910 778585433 /nfs/dbraw/zinc/58/54/33/778585433.db2.gz WPTSNKWPIHSRRL-UONOGXRCSA-N 2 0 254.393 2.733 20 0 CFADRP C[NH+]1CCC(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168366709 778589643 /nfs/dbraw/zinc/58/96/43/778589643.db2.gz YUYMJTXPSWDDCM-UHFFFAOYSA-N 3 0 293.499 2.572 20 0 CFADRP Fc1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC001235883331 778589755 /nfs/dbraw/zinc/58/97/55/778589755.db2.gz CVOZMZOEIJXOAK-QGZVFWFLSA-N 2 0 294.389 2.971 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235928557 778612292 /nfs/dbraw/zinc/61/22/92/778612292.db2.gz ALPYICJCAICRPB-XHSDSOJGSA-N 2 0 250.430 2.910 20 0 CFADRP C(CC1CCCCC1)C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929050 778612745 /nfs/dbraw/zinc/61/27/45/778612745.db2.gz GOGFYICPUPVCKA-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235929081 778612764 /nfs/dbraw/zinc/61/27/64/778612764.db2.gz HMILCXUFDWGANP-CVEARBPZSA-N 2 0 296.414 2.890 20 0 CFADRP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235929083 778612833 /nfs/dbraw/zinc/61/28/33/778612833.db2.gz HMILCXUFDWGANP-HZPDHXFCSA-N 2 0 296.414 2.890 20 0 CFADRP Clc1cccc(CCC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929267 778613850 /nfs/dbraw/zinc/61/38/50/778613850.db2.gz JVKQGTYMXDXAJB-CABCVRRESA-N 2 0 278.827 2.814 20 0 CFADRP CCCCOc1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235934564 778615406 /nfs/dbraw/zinc/61/54/06/778615406.db2.gz BPMOCJLTVNPLON-IAGOWNOFSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235939026 778617749 /nfs/dbraw/zinc/61/77/49/778617749.db2.gz NQKLRDZLVNPDTO-NVXWUHKLSA-N 2 0 288.435 2.824 20 0 CFADRP Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235942061 778619199 /nfs/dbraw/zinc/61/91/99/778619199.db2.gz XWTQYFLLDJUTFK-KBPBESRZSA-N 2 0 264.800 2.690 20 0 CFADRP Clc1cccc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c21 ZINC001235940340 778619717 /nfs/dbraw/zinc/61/97/17/778619717.db2.gz SLWWNQIKMHKVJF-NEPJUHHUSA-N 2 0 289.810 2.863 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235942853 778620375 /nfs/dbraw/zinc/62/03/75/778620375.db2.gz YGLHTXAWTLERCT-UONOGXRCSA-N 2 0 278.827 2.998 20 0 CFADRP c1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2c(c1)CCCC2 ZINC001235943850 778620557 /nfs/dbraw/zinc/62/05/57/778620557.db2.gz ZGMLFRMWUCUWOS-WBVHZDCISA-N 2 0 270.420 2.607 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC001235950434 778623994 /nfs/dbraw/zinc/62/39/94/778623994.db2.gz FYGORHNLVAMYLU-GFCCVEGCSA-N 2 0 284.806 2.953 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001235950145 778624302 /nfs/dbraw/zinc/62/43/02/778624302.db2.gz RNNNVKDUPRUCTJ-CYBMUJFWSA-N 2 0 252.789 2.868 20 0 CFADRP CC(C)[N@H+](CCC1CC[NH2+]CC1)CC(=O)c1ccccc1 ZINC001235961652 778629630 /nfs/dbraw/zinc/62/96/30/778629630.db2.gz DIELGYOKRNUHNQ-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP C[N@H+](CC[C@@H]1C[NH2+]CCO1)C1CCC(C(C)(C)C)CC1 ZINC001236009311 778653775 /nfs/dbraw/zinc/65/37/75/778653775.db2.gz RGRYRVLNELUZHN-UYSNPLJNSA-N 2 0 282.472 2.902 20 0 CFADRP CCn1ccc2ccc(C[N@@H+]3CC[C@@H](C[NH2+]C)C3)cc21 ZINC001236065486 778678637 /nfs/dbraw/zinc/67/86/37/778678637.db2.gz AEYUDVMAGROUSK-HNNXBMFYSA-N 2 0 271.408 2.703 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@@H]2CC=C(C)C2(C)C)C1 ZINC001236068297 778679875 /nfs/dbraw/zinc/67/98/75/778679875.db2.gz XQEMYBGPTYNOJX-CABCVRRESA-N 2 0 250.430 2.910 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001236072601 778681534 /nfs/dbraw/zinc/68/15/34/778681534.db2.gz SUAZRFRRQSGHIK-AWEZNQCLSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](C)O ZINC000348316480 778688553 /nfs/dbraw/zinc/68/85/53/778688553.db2.gz IOJHBEFBMNFUOE-ODLRDIKDSA-N 2 0 288.435 2.541 20 0 CFADRP Cc1ccc(OC(C)C)c(CN2CCC[NH2+][C@@H](C)C2)c1 ZINC001236095601 778690171 /nfs/dbraw/zinc/69/01/71/778690171.db2.gz XCBVWHRRJPDDPI-HNNXBMFYSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CCC[NH2+]1 ZINC001236098921 778692738 /nfs/dbraw/zinc/69/27/38/778692738.db2.gz UYNFUXNECYIUQL-ZDUSSCGKSA-N 2 0 266.816 2.956 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C)C[C@@H]3CCC[NH2+]3)cc21 ZINC001236124556 778704491 /nfs/dbraw/zinc/70/44/91/778704491.db2.gz OFJDMOQUTHKCSG-KRWDZBQOSA-N 2 0 299.462 2.872 20 0 CFADRP CC[C@H]([NH3+])CN(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001236151934 778719737 /nfs/dbraw/zinc/71/97/37/778719737.db2.gz KJPSQMTVUCCIJQ-SZMVWBNQSA-N 2 0 289.467 2.566 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc3c(N)cc[nH+]c3c2)cn1 ZINC001236154073 778720422 /nfs/dbraw/zinc/72/04/22/778720422.db2.gz SUIBIJJEXHOWGE-UHFFFAOYSA-N 2 0 295.390 2.632 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)C2(CC2)C1 ZINC001236153008 778720529 /nfs/dbraw/zinc/72/05/29/778720529.db2.gz GYVFOAOYZSISFG-CYBMUJFWSA-N 2 0 256.393 2.707 20 0 CFADRP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC001236190804 778731499 /nfs/dbraw/zinc/73/14/99/778731499.db2.gz YFTKSEPNUITDTA-GUYCJALGSA-N 2 0 269.392 2.914 20 0 CFADRP C(C1CC1)[NH+]1CCC(N2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001168378144 778746261 /nfs/dbraw/zinc/74/62/61/778746261.db2.gz LSRVHWVXMCJPPY-JKSUJKDBSA-N 2 0 262.441 2.983 20 0 CFADRP CC1(C[N@@H+]2CCSc3ccccc3C2)CC[NH2+]CC1 ZINC001236242535 778751132 /nfs/dbraw/zinc/75/11/32/778751132.db2.gz XFMMKEOFERHGNZ-UHFFFAOYSA-N 2 0 276.449 2.984 20 0 CFADRP CCN(Cc1ccccn1)C1CC[NH+](CC2CC2)CC1 ZINC001168387903 778767731 /nfs/dbraw/zinc/76/77/31/778767731.db2.gz XWLNZPKHNQDYBF-UHFFFAOYSA-N 2 0 273.424 2.778 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387613 778768194 /nfs/dbraw/zinc/76/81/94/778768194.db2.gz MKMSGIZPNZDTCJ-ZIAGYGMSSA-N 2 0 250.430 2.839 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@H+](CCCC[NH3+])C2)c1 ZINC001236304258 778768497 /nfs/dbraw/zinc/76/84/97/778768497.db2.gz JOGZEOGZXZTAEV-MRXNPFEDSA-N 2 0 276.424 2.689 20 0 CFADRP CC1(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CCCCC1 ZINC001236315007 778774170 /nfs/dbraw/zinc/77/41/70/778774170.db2.gz UPDJLQPKBJFZPI-GASCZTMLSA-N 2 0 250.430 2.888 20 0 CFADRP c1cc2c(cccc2C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236314427 778774407 /nfs/dbraw/zinc/77/44/07/778774407.db2.gz DZWDAUXRINZLFI-OKILXGFUSA-N 2 0 269.392 2.599 20 0 CFADRP COc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314903 778774525 /nfs/dbraw/zinc/77/45/25/778774525.db2.gz IPZPEINSDNUSCL-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP COc1c(C)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C ZINC001236314732 778774667 /nfs/dbraw/zinc/77/46/67/778774667.db2.gz GAHCDJIGYHHLLR-CALCHBBNSA-N 2 0 288.435 2.743 20 0 CFADRP c1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)noc1-c1ccccc1 ZINC001236315800 778775393 /nfs/dbraw/zinc/77/53/93/778775393.db2.gz OAARNLARAAWBBK-IYBDPMFKSA-N 2 0 297.402 2.773 20 0 CFADRP CCCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317143 778775826 /nfs/dbraw/zinc/77/58/26/778775826.db2.gz UHWCGQNHIIJHEP-IYBDPMFKSA-N 2 0 288.435 2.907 20 0 CFADRP COc1cc(F)c(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320356 778777581 /nfs/dbraw/zinc/77/75/81/778777581.db2.gz AQXZMKJHDMYDSK-OKILXGFUSA-N 2 0 292.398 2.574 20 0 CFADRP FC(F)(F)c1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236320637 778778257 /nfs/dbraw/zinc/77/82/57/778778257.db2.gz AACXFPJFDBTANY-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)nc1C ZINC001236321060 778778770 /nfs/dbraw/zinc/77/87/70/778778770.db2.gz JENRFHYSBNHZLI-OKILXGFUSA-N 2 0 293.842 2.783 20 0 CFADRP FC(F)(F)c1ncccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322439 778779554 /nfs/dbraw/zinc/77/95/54/778779554.db2.gz XFJRFXZIWUBEMQ-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168396713 778787173 /nfs/dbraw/zinc/78/71/73/778787173.db2.gz HYZGWZGSMVZVDG-QGZVFWFLSA-N 2 0 276.399 2.614 20 0 CFADRP Cn1ccc2c1cc[nH+]c2-c1cccc2c1CC[NH2+]C2 ZINC001236345568 778787948 /nfs/dbraw/zinc/78/79/48/778787948.db2.gz ZWORGUZXTVOGEU-UHFFFAOYSA-N 2 0 263.344 2.886 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC(C)=C[C@H]1C ZINC001236408749 778805026 /nfs/dbraw/zinc/80/50/26/778805026.db2.gz RYXCLZJDSOJYIE-OAGGEKHMSA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC(C)=C[C@H]1C ZINC001236408748 778805253 /nfs/dbraw/zinc/80/52/53/778805253.db2.gz RYXCLZJDSOJYIE-BZUAXINKSA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@H+](CCCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236407177 778805881 /nfs/dbraw/zinc/80/58/81/778805881.db2.gz CXHFEXZOCLFMDV-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP C[NH2+]CCCN(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236449841 778833109 /nfs/dbraw/zinc/83/31/09/778833109.db2.gz CAOVGENYDLLQFJ-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP Cc1cccc(C[N@H+](CC[C@@H]2C[NH2+]CCO2)C2CC2)c1C ZINC001236535624 778868369 /nfs/dbraw/zinc/86/83/69/778868369.db2.gz XTDROSJRZRBDLA-GOSISDBHSA-N 2 0 288.435 2.646 20 0 CFADRP C[NH2+]CCC[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565317 778877520 /nfs/dbraw/zinc/87/75/20/778877520.db2.gz DSFJVHSDXGZUHM-KOMQPUFPSA-N 3 0 267.461 2.501 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CC[NH2+]CC2)C2CCCC2)CC1 ZINC001236566860 778878040 /nfs/dbraw/zinc/87/80/40/778878040.db2.gz NQMNDGDMTIMDJY-JCNLHEQBSA-N 3 0 279.472 2.501 20 0 CFADRP Nc1cc(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236570922 778878672 /nfs/dbraw/zinc/87/86/72/778878672.db2.gz FVMYCKFBAAJHAT-KOMQPUFPSA-N 2 0 288.439 2.678 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001236604855 778891243 /nfs/dbraw/zinc/89/12/43/778891243.db2.gz QDDBLHWVFMTSJF-KRWDZBQOSA-N 2 0 258.409 2.736 20 0 CFADRP CC[NH+]1CCC(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236646745 778902207 /nfs/dbraw/zinc/90/22/07/778902207.db2.gz IHPLULOJNQHQJI-GOSISDBHSA-N 2 0 293.499 2.715 20 0 CFADRP CNc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)cc1 ZINC001236646883 778902384 /nfs/dbraw/zinc/90/23/84/778902384.db2.gz JOYUDYUKAIMSCW-UHFFFAOYSA-N 2 0 273.424 2.835 20 0 CFADRP c1cc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)cc2c1C[NH2+]C2 ZINC001236652267 778903742 /nfs/dbraw/zinc/90/37/42/778903742.db2.gz GQOLOSYNECIORF-LJQANCHMSA-N 2 0 299.462 2.786 20 0 CFADRP [NH3+]Cc1ccc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC001236654735 778905391 /nfs/dbraw/zinc/90/53/91/778905391.db2.gz XWYMLBDGLNKAIN-SFHVURJKSA-N 2 0 287.451 2.642 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCO)Cc2ccccc2)CC1 ZINC001236682912 778909053 /nfs/dbraw/zinc/90/90/53/778909053.db2.gz ZSKGVUXBMSPGIR-QAQDUYKDSA-N 2 0 276.424 2.531 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC001236739946 778925844 /nfs/dbraw/zinc/92/58/44/778925844.db2.gz HAFDNQYBCSKQKD-IYBDPMFKSA-N 2 0 270.376 2.816 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3ccccc3Cl)C[C@@H]12 ZINC001236817567 778951669 /nfs/dbraw/zinc/95/16/69/778951669.db2.gz DGYLSANZGAUDJV-SQWLQELKSA-N 2 0 278.827 2.942 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236827873 778956046 /nfs/dbraw/zinc/95/60/46/778956046.db2.gz HEKZVKUNKORNAP-JCGIZDLHSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@@H+](Cc1ccc2ccn(C)c2c1)C[C@H]1CC[NH2+]C1 ZINC001236834242 778959351 /nfs/dbraw/zinc/95/93/51/778959351.db2.gz FWWNEXVUMPNTLX-INIZCTEOSA-N 2 0 285.435 3.000 20 0 CFADRP CCC[N@@H+](Cc1cccc2c1ccn2C)C[C@@H]1CC[NH2+]C1 ZINC001236836350 778960692 /nfs/dbraw/zinc/96/06/92/778960692.db2.gz VDYISBPSRZEOSB-OAHLLOKOSA-N 2 0 285.435 3.000 20 0 CFADRP CCC[N@@H+](Cc1cc(OC)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236844690 778963203 /nfs/dbraw/zinc/96/32/03/778963203.db2.gz XRWZEVPXYZBMNJ-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@H+](CCCCCO)C1CC[NH+](C2CCCCC2)CC1 ZINC001236846053 778963669 /nfs/dbraw/zinc/96/36/69/778963669.db2.gz AGGHHMIMXLGOLI-UHFFFAOYSA-N 2 0 282.472 2.878 20 0 CFADRP CCOC(C)(C)C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947265 778983814 /nfs/dbraw/zinc/98/38/14/778983814.db2.gz IVDXHFJLCVCTSZ-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001237055636 779001723 /nfs/dbraw/zinc/00/17/23/779001723.db2.gz DERBMFPGRGMTCK-KRWDZBQOSA-N 2 0 290.527 2.793 20 0 CFADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc3c(c2)CCCN3)C1 ZINC001237083853 779008441 /nfs/dbraw/zinc/00/84/41/779008441.db2.gz YUBVLXAEOMSPHY-QGZVFWFLSA-N 2 0 273.424 2.606 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401061231 779030059 /nfs/dbraw/zinc/03/00/59/779030059.db2.gz XECSNYJKKMOCAS-VVLHAWIVSA-N 2 0 288.435 2.740 20 0 CFADRP Fc1cccc2c1CC[C@@]21CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC001237188977 779043883 /nfs/dbraw/zinc/04/38/83/779043883.db2.gz SHJCASZWEOQTLI-RDTXWAMCSA-N 2 0 288.410 2.715 20 0 CFADRP c1ccc2c(c1)CC1(CC[NH+](CC[C@H]3CCC[NH2+]C3)CC1)N2 ZINC001237333660 779079714 /nfs/dbraw/zinc/07/97/14/779079714.db2.gz OHMWLTPHPHMSIP-MRXNPFEDSA-N 2 0 299.462 2.879 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237380743 779086151 /nfs/dbraw/zinc/08/61/51/779086151.db2.gz HIIWGSCSBMAIRC-IRXDYDNUSA-N 2 0 258.409 2.611 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1C ZINC001237381276 779087611 /nfs/dbraw/zinc/08/76/11/779087611.db2.gz ILGLUXCDVQEKNP-SJORKVTESA-N 2 0 258.409 2.877 20 0 CFADRP c1cc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc2[nH]1 ZINC001237383921 779088819 /nfs/dbraw/zinc/08/88/19/779088819.db2.gz SUZIZZXDTCHKSA-DOTOQJQBSA-N 2 0 269.392 2.742 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237385050 779089238 /nfs/dbraw/zinc/08/92/38/779089238.db2.gz ZRDGRQZCVXJCHG-AEFFLSMTSA-N 2 0 288.435 2.702 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c2c1 ZINC001237388144 779090846 /nfs/dbraw/zinc/09/08/46/779090846.db2.gz CKAFJRCGXPOXMH-RDJZCZTQSA-N 2 0 281.403 2.809 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC001237630478 779150325 /nfs/dbraw/zinc/15/03/25/779150325.db2.gz PFBQASCBHYRISP-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)C2)C1 ZINC001168446034 779150799 /nfs/dbraw/zinc/15/07/99/779150799.db2.gz OABBNFJBEVPKPT-QZTJIDSGSA-N 2 0 288.410 2.711 20 0 CFADRP Cc1c(Cl)cccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001237737645 779171289 /nfs/dbraw/zinc/17/12/89/779171289.db2.gz GTIPPJROGLZBEP-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205095005 779171303 /nfs/dbraw/zinc/17/13/03/779171303.db2.gz SOQZXADIYAXYAV-GJZGRUSLSA-N 2 0 270.461 2.767 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205095119 779172523 /nfs/dbraw/zinc/17/25/23/779172523.db2.gz UPFZXJPWWKDBOX-CYBMUJFWSA-N 2 0 250.411 2.722 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001205095165 779172790 /nfs/dbraw/zinc/17/27/90/779172790.db2.gz UWSCWZNBJVVFFE-ZDUSSCGKSA-N 2 0 261.344 2.620 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001168456071 779184288 /nfs/dbraw/zinc/18/42/88/779184288.db2.gz NNEFWASXDVWJGB-SJWGOKEGSA-N 2 0 276.399 2.972 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CC4(C3)CCOC4)cc21 ZINC001237880954 779199293 /nfs/dbraw/zinc/19/92/93/779199293.db2.gz KXRYLNRTUGMZHC-UHFFFAOYSA-N 2 0 298.430 2.910 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C)c1 ZINC001205101448 779208681 /nfs/dbraw/zinc/20/86/81/779208681.db2.gz FIVYQWLKKLNECP-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP c1cc2c(s1)CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000699194571 779211930 /nfs/dbraw/zinc/21/19/30/779211930.db2.gz JXSMLMPRHGNHTN-QXMXGUDHSA-N 2 0 262.422 2.637 20 0 CFADRP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699264507 779229216 /nfs/dbraw/zinc/22/92/16/779229216.db2.gz SBVHXBSLVBRETK-QGGMXYOTSA-N 2 0 250.430 2.883 20 0 CFADRP CC[NH+](CC)C1CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238112984 779256012 /nfs/dbraw/zinc/25/60/12/779256012.db2.gz GUNZPHKFQLVUGF-UHFFFAOYSA-N 2 0 286.423 2.641 20 0 CFADRP c1[nH+]cn2c1cccc2C[NH+]1CCC2(CCOCC2)CC1 ZINC001238117829 779257806 /nfs/dbraw/zinc/25/78/06/779257806.db2.gz DBGDKVNHBGHQMJ-UHFFFAOYSA-N 2 0 285.391 2.727 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001205131122 779285052 /nfs/dbraw/zinc/28/50/52/779285052.db2.gz QWGMVDDAQBTLQN-CQSZACIVSA-N 2 0 261.344 2.620 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235039983 779303869 /nfs/dbraw/zinc/30/38/69/779303869.db2.gz JXEVFLXDRSWPAK-SFHVURJKSA-N 2 0 293.499 2.907 20 0 CFADRP Cc1ccc(Cl)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235039261 779304417 /nfs/dbraw/zinc/30/44/17/779304417.db2.gz WZSUTYDKSQWDLF-OAHLLOKOSA-N 2 0 264.800 2.834 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3cc(O)ccc3c2)C[C@H]1C[NH3+] ZINC001205140228 779322171 /nfs/dbraw/zinc/32/21/71/779322171.db2.gz DOAAZUKBJILNDV-BLLLJJGKSA-N 2 0 270.376 2.572 20 0 CFADRP CC(C)Oc1cncc(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC001238463856 779322382 /nfs/dbraw/zinc/32/23/82/779322382.db2.gz AKFBTIVYBTYFLF-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235271024 779336048 /nfs/dbraw/zinc/33/60/48/779336048.db2.gz OMCQRTZCWHVOPQ-WBVHZDCISA-N 2 0 258.409 2.741 20 0 CFADRP CC1(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CCCCC1 ZINC001235400419 779349139 /nfs/dbraw/zinc/34/91/39/779349139.db2.gz CVCYQCWENNTWKD-HOCLYGCPSA-N 2 0 268.420 2.980 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000715253239 779352243 /nfs/dbraw/zinc/35/22/43/779352243.db2.gz BBSNQRJQMDTWGR-UHFFFAOYSA-N 3 0 281.488 2.571 20 0 CFADRP CCCCCC[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC001235690526 779368840 /nfs/dbraw/zinc/36/88/40/779368840.db2.gz AABWNUYQUVNWNZ-UHFFFAOYSA-N 2 0 289.467 2.843 20 0 CFADRP CSc1ncc(C)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001238716262 779374760 /nfs/dbraw/zinc/37/47/60/779374760.db2.gz HXPHDYQWUFMLTP-UHFFFAOYSA-N 2 0 293.480 2.886 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cc(C[NH+](C)C)ccn2)c1 ZINC001236416444 779561533 /nfs/dbraw/zinc/56/15/33/779561533.db2.gz DZQWVVZCJHDLJT-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP CC(C)(C)C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769647 779637664 /nfs/dbraw/zinc/63/76/64/779637664.db2.gz YIYROTDKQYSYEA-JYJNAYRXSA-N 3 0 281.488 2.604 20 0 CFADRP c1ccc2ncc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cc2c1 ZINC001239794131 779778063 /nfs/dbraw/zinc/77/80/63/779778063.db2.gz XAVXNECJLGWDLR-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000335542513 779795717 /nfs/dbraw/zinc/79/57/17/779795717.db2.gz GOEYCWSVAUEGLR-ZBFHGGJFSA-N 2 0 266.429 2.504 20 0 CFADRP Cc1cnc(C)c(-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)c1 ZINC001239907272 779853828 /nfs/dbraw/zinc/85/38/28/779853828.db2.gz MKZPCZKTLMQPKD-QGZVFWFLSA-N 2 0 281.403 2.898 20 0 CFADRP [NH3+]C[C@]1(O)CCC[N@H+](CCCCCc2ccccc2)CC1 ZINC001205209434 779915755 /nfs/dbraw/zinc/91/57/55/779915755.db2.gz JJAIJUQYPYJTMY-SFHVURJKSA-N 2 0 290.451 2.575 20 0 CFADRP [NH3+]Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2)ncn1 ZINC001240162402 779980790 /nfs/dbraw/zinc/98/07/90/779980790.db2.gz KGFJJOSVUNXHFN-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CC=C(C)C ZINC001168594820 780023986 /nfs/dbraw/zinc/02/39/86/780023986.db2.gz ATLFBTFPPZXCBD-UHFFFAOYSA-N 2 0 297.487 2.561 20 0 CFADRP Cc1cc2[nH+]ccn2cc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601983 780032124 /nfs/dbraw/zinc/03/21/24/780032124.db2.gz ZIBYKWJAGCGSNB-ZFWWWQNUSA-N 2 0 272.396 2.927 20 0 CFADRP COc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)ccn1 ZINC001240258369 780036064 /nfs/dbraw/zinc/03/60/64/780036064.db2.gz ABXVAIYCQWEXNS-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP [NH3+]Cc1cc(C2=CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC001240386501 780129581 /nfs/dbraw/zinc/12/95/81/780129581.db2.gz GGUZCBUYQISXHO-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP [NH3+]Cc1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001240388472 780130915 /nfs/dbraw/zinc/13/09/15/780130915.db2.gz LKFFBHYUURRVAP-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP Cc1nc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)sc1C ZINC000715582426 780173382 /nfs/dbraw/zinc/17/33/82/780173382.db2.gz FDCWDXKJEYZWBH-QWHCGFSZSA-N 2 0 267.442 2.722 20 0 CFADRP [NH3+]Cc1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1F ZINC001240458950 780180779 /nfs/dbraw/zinc/18/07/79/780180779.db2.gz SSXPJZFMVKLGJM-UHFFFAOYSA-N 2 0 256.324 2.597 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=CC[NH2+]CC2)nc1 ZINC001240466053 780182923 /nfs/dbraw/zinc/18/29/23/780182923.db2.gz PCQJFYSEHNUYEN-AWEZNQCLSA-N 2 0 271.408 2.833 20 0 CFADRP Cc1nc(C(F)(F)F)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205040144 780227740 /nfs/dbraw/zinc/22/77/40/780227740.db2.gz AOIJUJXCNWZCQT-UHFFFAOYSA-N 2 0 287.329 2.580 20 0 CFADRP Nc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c(F)c1 ZINC001240527527 780233864 /nfs/dbraw/zinc/23/38/64/780233864.db2.gz MDFVNHHKOVTADA-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP CCn1cc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cn1 ZINC001240652534 780329103 /nfs/dbraw/zinc/32/91/03/780329103.db2.gz STMUMPRKOCLGNK-UHFFFAOYSA-N 2 0 298.434 2.741 20 0 CFADRP C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)OC1CCCCCC1 ZINC000358507401 780388714 /nfs/dbraw/zinc/38/87/14/780388714.db2.gz KGGXPZICTGRHQG-UHFFFAOYSA-N 2 0 280.456 2.801 20 0 CFADRP CC(C)Oc1cc(NCCCC[NH+](C)C)ccn1 ZINC001161731142 780490503 /nfs/dbraw/zinc/49/05/03/780490503.db2.gz RCWGMGZCXZYJNJ-UHFFFAOYSA-N 2 0 251.374 2.623 20 0 CFADRP CC[N@@H+]1CCc2cc(C=C3CC[NH2+]CC3)ccc2C1 ZINC001240875353 780494020 /nfs/dbraw/zinc/49/40/20/780494020.db2.gz HAENNEVWWHJJRI-UHFFFAOYSA-N 2 0 256.393 2.831 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(C=C3CC[NH2+]CC3)c2)CC1 ZINC001240877178 780494727 /nfs/dbraw/zinc/49/47/27/780494727.db2.gz DODQTXLFKHRXSD-UHFFFAOYSA-N 3 0 299.462 2.624 20 0 CFADRP Nc1cc[nH+]c(Nc2ccc(Br)cc2C[NH3+])c1 ZINC001161852080 780553545 /nfs/dbraw/zinc/55/35/45/780553545.db2.gz YQJOBSYQUAZHGT-UHFFFAOYSA-N 2 0 293.168 2.629 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3Cc4cccc(Cl)c4C3)C[C@H]2C1 ZINC001168741750 780595801 /nfs/dbraw/zinc/59/58/01/780595801.db2.gz AGYYNYFFUXGLTG-KFWWJZLASA-N 2 0 290.838 2.691 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@H]2C1 ZINC001168741758 780595968 /nfs/dbraw/zinc/59/59/68/780595968.db2.gz AGYYNYFFUXGLTG-RBSFLKMASA-N 2 0 290.838 2.691 20 0 CFADRP CC(F)(F)CNc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001162232665 780636878 /nfs/dbraw/zinc/63/68/78/780636878.db2.gz CGIIYVXAYQUBKM-UHFFFAOYSA-N 2 0 297.393 2.924 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccncc3F)cc2)CC1 ZINC001241228266 780717746 /nfs/dbraw/zinc/71/77/46/780717746.db2.gz PVAPWEDDJYSKJT-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000700822061 780727179 /nfs/dbraw/zinc/72/71/79/780727179.db2.gz BAFMZQOUOGOLMH-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CC2)CC[C@H]1C(F)(F)F ZINC000700837876 780728342 /nfs/dbraw/zinc/72/83/42/780728342.db2.gz FRKVITQQSHRPER-VXGBXAGGSA-N 2 0 264.335 2.636 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3cncs3)c2)CC1 ZINC001241499891 780944459 /nfs/dbraw/zinc/94/44/59/780944459.db2.gz STPVSVKZOKMCFW-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2ncnc3c2CC[NH2+]C3)cc1 ZINC001241573240 780990355 /nfs/dbraw/zinc/99/03/55/780990355.db2.gz HKDMFYGRRZXFBR-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2cc(C3C[NH2+]C3)ncn2)cc1 ZINC001241577874 780994178 /nfs/dbraw/zinc/99/41/78/780994178.db2.gz CBSRNCHWEBPRAS-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(C)(C(=O)OC)CC2)CC1 ZINC001168756101 781028417 /nfs/dbraw/zinc/02/84/17/781028417.db2.gz XKUBOPSPISXEFJ-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP c1c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)sc2c1C[NH2+]CC2 ZINC000704298446 781095137 /nfs/dbraw/zinc/09/51/37/781095137.db2.gz KBOJMFQDTZCHLI-OLZOCXBDSA-N 2 0 294.489 2.864 20 0 CFADRP c1nn(C2CC[NH2+]CC2)cc1-c1ccc(C[NH+]2CCC2)cc1 ZINC001241777569 781124523 /nfs/dbraw/zinc/12/45/23/781124523.db2.gz UKBRVMRWOKEABL-UHFFFAOYSA-N 2 0 296.418 2.680 20 0 CFADRP c1cc(N2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc[nH+]1 ZINC000704919631 781129053 /nfs/dbraw/zinc/12/90/53/781129053.db2.gz UNHSJZZCCZYDSZ-CQSZACIVSA-N 2 0 291.464 2.783 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)C12CCC2 ZINC000705800749 781145533 /nfs/dbraw/zinc/14/55/33/781145533.db2.gz IELICWCRHKPIKN-KGLIPLIRSA-N 2 0 264.800 2.742 20 0 CFADRP [NH3+]Cc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC001241918500 781181770 /nfs/dbraw/zinc/18/17/70/781181770.db2.gz ZBHSLWWVCNZZAN-UHFFFAOYSA-N 3 0 295.430 2.735 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc(=O)[nH]c3)c2)CC1 ZINC001242065391 781257925 /nfs/dbraw/zinc/25/79/25/781257925.db2.gz MTSMYNLUOMNMRG-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc(=O)[nH]c2)CC1 ZINC001242065770 781258388 /nfs/dbraw/zinc/25/83/88/781258388.db2.gz VLANVNFQSUOARU-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP CC1(C)CO[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000708357856 781270776 /nfs/dbraw/zinc/27/07/76/781270776.db2.gz BKMKNLAOMUIFOK-HZPDHXFCSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)CO[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000708357857 781270783 /nfs/dbraw/zinc/27/07/83/781270783.db2.gz BKMKNLAOMUIFOK-JKSUJKDBSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@]12C[C@@H]1CCCC2 ZINC000708887424 781283650 /nfs/dbraw/zinc/28/36/50/781283650.db2.gz WLKRTIQTYDNDQZ-XZNMKKMDSA-N 2 0 260.425 2.541 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000709693950 781301081 /nfs/dbraw/zinc/30/10/81/781301081.db2.gz CAFAIWJKFLRUTA-UKRRQHHQSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709702091 781301587 /nfs/dbraw/zinc/30/15/87/781301587.db2.gz KCLPMPMFGXIAOM-AWEZNQCLSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709755165 781306567 /nfs/dbraw/zinc/30/65/67/781306567.db2.gz MPJTYAARXUOWGX-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000709578604 781314423 /nfs/dbraw/zinc/31/44/23/781314423.db2.gz NHNVIDIJDJRCLA-NWDGAFQWSA-N 2 0 264.335 2.650 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[NH2+]1 ZINC000710500121 781334333 /nfs/dbraw/zinc/33/43/33/781334333.db2.gz ROHQJHUQOGZFDF-LUCZXWKPSA-N 2 0 262.441 2.789 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cccc(F)c1F ZINC000710782680 781339715 /nfs/dbraw/zinc/33/97/15/781339715.db2.gz WEEKJRCBNWNWEQ-UHFFFAOYSA-N 2 0 256.340 2.916 20 0 CFADRP COc1ccc(CC[N@H+](C)CCCCCC[NH3+])cc1 ZINC000710803603 781340524 /nfs/dbraw/zinc/34/05/24/781340524.db2.gz IWSAPHUZIJJUTP-UHFFFAOYSA-N 2 0 264.413 2.689 20 0 CFADRP c1cnc2cc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)ccc2c1 ZINC001242249219 781345067 /nfs/dbraw/zinc/34/50/67/781345067.db2.gz GWGSHSKGWFMKTD-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP Cc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c(Cl)c1 ZINC000710576467 781345436 /nfs/dbraw/zinc/34/54/36/781345436.db2.gz WAINKSRTINGWOC-UHFFFAOYSA-N 2 0 296.842 2.537 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000711091971 781358048 /nfs/dbraw/zinc/35/80/48/781358048.db2.gz JLLJTEJLONRNNW-HUUCEWRRSA-N 2 0 276.424 2.774 20 0 CFADRP FC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000711441525 781433916 /nfs/dbraw/zinc/43/39/16/781433916.db2.gz GTRAWYXZHAOAHE-CQSZACIVSA-N 2 0 262.372 2.514 20 0 CFADRP C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000711831947 781474374 /nfs/dbraw/zinc/47/43/74/781474374.db2.gz FYPPZCUWTRGBBC-RRQGHBQHSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1c[nH+]c(NCC(C)(C)C[NH+](C)C)c2[nH]ccc21 ZINC001168764382 781564475 /nfs/dbraw/zinc/56/44/75/781564475.db2.gz SQSDESXYVIMOKN-UHFFFAOYSA-N 2 0 260.385 2.871 20 0 CFADRP [NH3+]Cc1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC001242692169 781699461 /nfs/dbraw/zinc/69/94/61/781699461.db2.gz HKTZBGVQORSLGG-INIZCTEOSA-N 2 0 257.381 2.572 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242728803 781725880 /nfs/dbraw/zinc/72/58/80/781725880.db2.gz UOJPNEXHGPNYEA-UHFFFAOYSA-N 2 0 298.434 2.878 20 0 CFADRP Cc1cc2[nH]ccc2c(N2CCC3(CCCC[NH2+]3)CC2)[nH+]1 ZINC001165247196 781746243 /nfs/dbraw/zinc/74/62/43/781746243.db2.gz QZOBMBRQBYLYOU-UHFFFAOYSA-N 2 0 284.407 2.984 20 0 CFADRP CCC[C@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)OC ZINC001119236692 781751955 /nfs/dbraw/zinc/75/19/55/781751955.db2.gz ACJWOKRANUGSNN-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@@H]1c2sccc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000712275207 781845627 /nfs/dbraw/zinc/84/56/27/781845627.db2.gz DPXVXWBWXQLGBQ-LLVKDONJSA-N 2 0 250.411 2.667 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC001242991344 781904330 /nfs/dbraw/zinc/90/43/30/781904330.db2.gz FPOZDFPQCKOAPI-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP C[NH2+]Cc1ccc(-c2cccc(CN3CC[C@H]([NH3+])C3)c2)cc1 ZINC001242994233 781908092 /nfs/dbraw/zinc/90/80/92/781908092.db2.gz RRCOQWNSXWKPRK-IBGZPJMESA-N 2 0 295.430 2.606 20 0 CFADRP CSCC1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000594509051 349434574 /nfs/dbraw/zinc/43/45/74/349434574.db2.gz HKDOTVOWYCDUDE-NFEDXEBOSA-N 2 0 270.486 2.838 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@H](C)SC2)CC[NH+](C)CC1 ZINC000594525797 349442226 /nfs/dbraw/zinc/44/22/26/349442226.db2.gz ZXRLIAKZDRQFOT-STQMWFEESA-N 2 0 288.526 2.688 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000594621877 349465719 /nfs/dbraw/zinc/46/57/19/349465719.db2.gz CUKANYSCTSWITG-INIZCTEOSA-N 2 0 298.471 2.815 20 0 CFADRP Fc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127691272 187326657 /nfs/dbraw/zinc/32/66/57/187326657.db2.gz ZTJUYNPBGKHAFQ-LSDHHAIUSA-N 2 0 262.372 2.585 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000127717448 187327857 /nfs/dbraw/zinc/32/78/57/187327857.db2.gz VFVIJAUWQBPBTN-KBPBESRZSA-N 2 0 295.858 2.627 20 0 CFADRP c1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127762862 187331172 /nfs/dbraw/zinc/33/11/72/187331172.db2.gz DUSFRPMKAVWHJJ-JKSUJKDBSA-N 2 0 298.434 2.643 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CSCCF)C[NH+]1CCCCC1 ZINC000595010398 349548070 /nfs/dbraw/zinc/54/80/70/349548070.db2.gz BTWVCDDUHDDKAP-ZIAGYGMSSA-N 2 0 276.465 2.789 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000595011507 349548500 /nfs/dbraw/zinc/54/85/00/349548500.db2.gz FSZGVKZWZMNDKR-HUUCEWRRSA-N 2 0 298.471 2.676 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)CSCCF)CC1 ZINC000595011952 349549188 /nfs/dbraw/zinc/54/91/88/349549188.db2.gz DKHZOXMIYNKVLJ-CYBMUJFWSA-N 2 0 276.465 2.932 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000595013077 349549344 /nfs/dbraw/zinc/54/93/44/349549344.db2.gz HACDHLZLAZIJRQ-AWEZNQCLSA-N 2 0 298.471 2.817 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595011713 349549507 /nfs/dbraw/zinc/54/95/07/349549507.db2.gz LHRFAHHXUSJSRJ-UONOGXRCSA-N 2 0 276.465 2.788 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595014174 349550343 /nfs/dbraw/zinc/55/03/43/349550343.db2.gz LSYORLDETPVKRU-LSDHHAIUSA-N 2 0 298.471 2.676 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595016201 349550621 /nfs/dbraw/zinc/55/06/21/349550621.db2.gz IGJSDUXMCTUFSX-HUUCEWRRSA-N 2 0 298.471 2.676 20 0 CFADRP C[C@H](CSCCF)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000595048887 349564075 /nfs/dbraw/zinc/56/40/75/349564075.db2.gz SFAZWEIKXUMZKK-GFCCVEGCSA-N 2 0 274.449 2.542 20 0 CFADRP CCC(CC)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377688406 282162981 /nfs/dbraw/zinc/16/29/81/282162981.db2.gz CLIHFBIKWSQLBK-JWTNVVGKSA-N 2 0 293.499 2.665 20 0 CFADRP CCC(CC)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368051493 282163038 /nfs/dbraw/zinc/16/30/38/282163038.db2.gz NBPOPNUOPPXBLI-HNNXBMFYSA-N 2 0 281.488 2.523 20 0 CFADRP CCC(CC)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378375525 282163093 /nfs/dbraw/zinc/16/30/93/282163093.db2.gz YOWLDMNXNMZICB-ARFHVFGLSA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1F ZINC000422817551 529494693 /nfs/dbraw/zinc/49/46/93/529494693.db2.gz HUCCDTSWTBZDSI-STQMWFEESA-N 2 0 268.376 2.700 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])Oc1ccccc1F ZINC000422817549 529495882 /nfs/dbraw/zinc/49/58/82/529495882.db2.gz HUCCDTSWTBZDSI-OLZOCXBDSA-N 2 0 268.376 2.700 20 0 CFADRP CC[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000415081706 529490135 /nfs/dbraw/zinc/49/01/35/529490135.db2.gz NFATYFJFQAZDSN-CVEARBPZSA-N 2 0 276.424 2.742 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000070183632 346907071 /nfs/dbraw/zinc/90/70/71/346907071.db2.gz WBZVXIQFCMCSIR-UHFFFAOYSA-N 2 0 284.350 2.849 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000449167458 282195047 /nfs/dbraw/zinc/19/50/47/282195047.db2.gz ALOLUFCMEIECAB-RRFJBIMHSA-N 2 0 266.429 2.551 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC000422912591 529554050 /nfs/dbraw/zinc/55/40/50/529554050.db2.gz NMCZPIWGTGKASL-RHSMWYFYSA-N 2 0 285.435 2.990 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)[C@H]1C[C@@H]1C ZINC000414165047 529592272 /nfs/dbraw/zinc/59/22/72/529592272.db2.gz PASZNXFSBKMFES-IHRRRGAJSA-N 2 0 270.486 2.838 20 0 CFADRP CC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422898128 529593316 /nfs/dbraw/zinc/59/33/16/529593316.db2.gz LGZVURFBBNNQST-HOTGVXAUSA-N 2 0 276.399 2.978 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414185973 529605593 /nfs/dbraw/zinc/60/55/93/529605593.db2.gz OVBHNWMJLMISFH-HIFRSBDPSA-N 2 0 279.403 2.993 20 0 CFADRP CC[C@H](NC[C@@H]([NH3+])c1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423251041 529611513 /nfs/dbraw/zinc/61/15/13/529611513.db2.gz VQNUWPSAVNVPRN-SQNIBIBYSA-N 2 0 289.467 2.930 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC1(C)C ZINC000414110958 529596184 /nfs/dbraw/zinc/59/61/84/529596184.db2.gz IOEAYKHLADSLIC-PMPSAXMXSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H]([NH2+]CCC[NH3+])c1cc(Cl)ccc1OC ZINC000423186552 529596964 /nfs/dbraw/zinc/59/69/64/529596964.db2.gz KIWYPPXRUYOMKR-LBPRGKRZSA-N 2 0 256.777 2.738 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1cc(C)ccc1OC ZINC000423283100 529617796 /nfs/dbraw/zinc/61/77/96/529617796.db2.gz XCRWQNTYAGKCAR-HIFRSBDPSA-N 2 0 264.413 2.900 20 0 CFADRP CCc1cnc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414697804 529645134 /nfs/dbraw/zinc/64/51/34/529645134.db2.gz CBHDSIMHESDWHL-VXGBXAGGSA-N 2 0 267.442 2.525 20 0 CFADRP C[C@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596093992 349792693 /nfs/dbraw/zinc/79/26/93/349792693.db2.gz FXQIIJXPJJHKNH-UKRRQHHQSA-N 2 0 288.476 2.789 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423493277 529672116 /nfs/dbraw/zinc/67/21/16/529672116.db2.gz PVYGMVMYMNFUCS-SNPRPXQTSA-N 2 0 290.407 2.626 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]CCSCc1ccccc1 ZINC000596101284 349794516 /nfs/dbraw/zinc/79/45/16/349794516.db2.gz FFYUZWHMSSSGRE-OAHLLOKOSA-N 2 0 266.454 2.883 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000335332616 282251759 /nfs/dbraw/zinc/25/17/59/282251759.db2.gz DBJWRKBSXHAETD-RYUDHWBXSA-N 2 0 256.353 2.558 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000423278451 290680866 /nfs/dbraw/zinc/68/08/66/290680866.db2.gz QXTNPCPVYZBFKN-WBMJQRKESA-N 2 0 276.424 2.962 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000423248820 529721333 /nfs/dbraw/zinc/72/13/33/529721333.db2.gz NWYCWVPTDDLWMK-RYUDHWBXSA-N 2 0 252.427 2.961 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)s1 ZINC000423266094 529728963 /nfs/dbraw/zinc/72/89/63/529728963.db2.gz CSWYNROCMJVQRV-VHSXEESVSA-N 2 0 255.431 2.520 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000423211253 529729757 /nfs/dbraw/zinc/72/97/57/529729757.db2.gz KRKQBYNVAKZBPP-CMPLNLGQSA-N 2 0 267.442 2.664 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000126847749 187265519 /nfs/dbraw/zinc/26/55/19/187265519.db2.gz IIXQVLQBKUUDLV-ZWNOBZJWSA-N 2 0 254.324 2.793 20 0 CFADRP CCc1ncc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000414293317 529755405 /nfs/dbraw/zinc/75/54/05/529755405.db2.gz VSFOUFYTCDTZKX-OAHLLOKOSA-N 2 0 290.455 2.783 20 0 CFADRP c1nc2n(c1C[NH+]1CC(C3CCCCC3)C1)CCC2 ZINC000668231976 539335761 /nfs/dbraw/zinc/33/57/61/539335761.db2.gz VZJANGODSTXLPS-UHFFFAOYSA-N 2 0 259.397 2.841 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601373 534948378 /nfs/dbraw/zinc/94/83/78/534948378.db2.gz POEMGXICTPKVCH-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000128020182 187346336 /nfs/dbraw/zinc/34/63/36/187346336.db2.gz SMLSSKXRQSZPLT-CPUCHLNUSA-N 2 0 294.414 2.913 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@H]2C2CC2)C[C@@H](C)O1 ZINC000348062588 539346819 /nfs/dbraw/zinc/34/68/19/539346819.db2.gz KUWPETNIMOGOPN-TXCZRRACSA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000273171505 192065723 /nfs/dbraw/zinc/06/57/23/192065723.db2.gz FDNXUMPBXNQCME-OAHLLOKOSA-N 2 0 260.425 2.939 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348089315 539367294 /nfs/dbraw/zinc/36/72/94/539367294.db2.gz USIGHKDZLWSIKX-JKSUJKDBSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC000119942674 539367471 /nfs/dbraw/zinc/36/74/71/539367471.db2.gz APOBJLRHFUXIGZ-AWEZNQCLSA-N 2 0 275.440 2.573 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000128123081 187352624 /nfs/dbraw/zinc/35/26/24/187352624.db2.gz VSFGBIGEBXCKTL-ARFHVFGLSA-N 2 0 294.826 2.590 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)C2CCCC2)C1 ZINC000446742574 534958192 /nfs/dbraw/zinc/95/81/92/534958192.db2.gz GKZROSBMDSEQMR-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000120393542 539384701 /nfs/dbraw/zinc/38/47/01/539384701.db2.gz XHQLJIKDIKVEDS-HNNXBMFYSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000423280032 290717477 /nfs/dbraw/zinc/71/74/77/290717477.db2.gz UCFUWKPGHABOJQ-XHDPSFHLSA-N 2 0 291.395 2.676 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348125130 539387648 /nfs/dbraw/zinc/38/76/48/539387648.db2.gz XBTQTZUGNPOWCK-BMFZPTHFSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414861229 529971457 /nfs/dbraw/zinc/97/14/57/529971457.db2.gz RPVNXHRLXXSOMB-GFCCVEGCSA-N 2 0 286.366 2.808 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348318544 539391133 /nfs/dbraw/zinc/39/11/33/539391133.db2.gz YMYUHUNGLXPDAN-KFWWJZLASA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414829087 529985284 /nfs/dbraw/zinc/98/52/84/529985284.db2.gz AMJXKKGZLQNQQF-SECBINFHSA-N 2 0 289.192 2.533 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423282037 529985800 /nfs/dbraw/zinc/98/58/00/529985800.db2.gz WFLMWRLKNKRSRL-MNOVXSKESA-N 2 0 272.339 2.794 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423273999 529985864 /nfs/dbraw/zinc/98/58/64/529985864.db2.gz LOEOJCAWJQBVPD-GHMZBOCLSA-N 2 0 252.427 2.743 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000423268369 529985937 /nfs/dbraw/zinc/98/59/37/529985937.db2.gz GDZKKKLPYDACRM-ZBFHGGJFSA-N 2 0 278.440 2.707 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423256014 529986324 /nfs/dbraw/zinc/98/63/24/529986324.db2.gz BGLZGYOCYJZVDX-GHMZBOCLSA-N 2 0 263.410 2.802 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423272947 529986427 /nfs/dbraw/zinc/98/64/27/529986427.db2.gz KIMLCAAGFNKJSC-PBHICJAKSA-N 2 0 298.434 2.695 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423282675 529999072 /nfs/dbraw/zinc/99/90/72/529999072.db2.gz WQVHJRSKGXLLDE-MJBXVCDLSA-N 2 0 294.439 2.641 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414843117 529999243 /nfs/dbraw/zinc/99/92/43/529999243.db2.gz PQIPGZBQZAFDFR-BHYGNILZSA-N 2 0 260.425 2.843 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000423283083 529999606 /nfs/dbraw/zinc/99/96/06/529999606.db2.gz XBLFDGMPEFWYGB-NWDGAFQWSA-N 2 0 276.380 2.948 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414843124 530000029 /nfs/dbraw/zinc/00/00/29/530000029.db2.gz PQIPGZBQZAFDFR-XIRDDKMYSA-N 2 0 260.425 2.843 20 0 CFADRP COCC[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000088495034 539404673 /nfs/dbraw/zinc/40/46/73/539404673.db2.gz YICBPZSENXHSCM-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000414169806 530060865 /nfs/dbraw/zinc/06/08/65/530060865.db2.gz BNSVJMDXWSRIJW-WCXIOVBPSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000336827356 282389695 /nfs/dbraw/zinc/38/96/95/282389695.db2.gz CHGGZMSLKAAMAW-JKSUJKDBSA-N 2 0 280.456 2.608 20 0 CFADRP COC(C)(C)C[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000122093516 539449830 /nfs/dbraw/zinc/44/98/30/539449830.db2.gz YXSXNFRCDFPRSG-CHWSQXEVSA-N 2 0 256.434 2.510 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1F ZINC000153610206 232221433 /nfs/dbraw/zinc/22/14/33/232221433.db2.gz WIBBLSMRWJGMDI-LBPRGKRZSA-N 2 0 280.387 2.827 20 0 CFADRP [NH3+]CCC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000070188581 539486624 /nfs/dbraw/zinc/48/66/24/539486624.db2.gz WYQBNBKEHDVBRA-UHFFFAOYSA-N 2 0 282.428 2.979 20 0 CFADRP CCC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123920231 539513092 /nfs/dbraw/zinc/51/30/92/539513092.db2.gz CDXALXNJJWUIPF-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000668474538 539518662 /nfs/dbraw/zinc/51/86/62/539518662.db2.gz CCRRIXLBETVINM-CGTJXYLNSA-N 2 0 295.515 2.817 20 0 CFADRP CCc1ccc(C)[nH+]c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668479193 539520916 /nfs/dbraw/zinc/52/09/16/539520916.db2.gz VALWIZJJKSISLU-INIZCTEOSA-N 2 0 289.423 2.618 20 0 CFADRP C[C@H](CCO)C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090187951 539527876 /nfs/dbraw/zinc/52/78/76/539527876.db2.gz LYHOKGRSJNKRDV-NVXWUHKLSA-N 2 0 290.451 2.648 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000000019742 346204257 /nfs/dbraw/zinc/20/42/57/346204257.db2.gz JRRZGYVKDCAXEH-UHFFFAOYSA-N 2 0 296.842 2.992 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000668504966 539541013 /nfs/dbraw/zinc/54/10/13/539541013.db2.gz XJDPHUYVIWNGKD-LBPRGKRZSA-N 2 0 288.420 2.858 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000596655739 349970008 /nfs/dbraw/zinc/97/00/08/349970008.db2.gz YELQQUPQTFDIBK-HRCADAONSA-N 2 0 298.471 2.852 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596648056 349967656 /nfs/dbraw/zinc/96/76/56/349967656.db2.gz HEIPBCXDGJEMQC-GJZGRUSLSA-N 2 0 296.455 2.750 20 0 CFADRP CSCC1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC000596648281 349967918 /nfs/dbraw/zinc/96/79/18/349967918.db2.gz NZBYFTXQYKJKDH-UHFFFAOYSA-N 2 0 256.459 2.769 20 0 CFADRP CCSC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000596650316 349968608 /nfs/dbraw/zinc/96/86/08/349968608.db2.gz HFCZZRNMWZZPOB-NSHDSACASA-N 2 0 279.453 2.785 20 0 CFADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000178981530 136570585 /nfs/dbraw/zinc/57/05/85/136570585.db2.gz OCNOGXSNXMOFQD-SFHVURJKSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1cc(N2CCC(CCC[NH+](C)C)CC2)cc[nH+]1 ZINC000274979875 136632702 /nfs/dbraw/zinc/63/27/02/136632702.db2.gz ZEGPZMPJHMYMCP-UHFFFAOYSA-N 2 0 261.413 2.948 20 0 CFADRP C[C@@H](O)CC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080202723 347349515 /nfs/dbraw/zinc/34/95/15/347349515.db2.gz MTQOGCLSRPGWDR-OAHLLOKOSA-N 2 0 278.440 2.505 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC)CC2)C12CCC2 ZINC000087710706 347498337 /nfs/dbraw/zinc/49/83/37/347498337.db2.gz BBDSABYDPMYJNO-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1 ZINC000216171273 539565058 /nfs/dbraw/zinc/56/50/58/539565058.db2.gz NOVWARPFQFWTQX-VXGBXAGGSA-N 2 0 268.401 2.587 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000090772492 347556746 /nfs/dbraw/zinc/55/67/46/347556746.db2.gz QEKGEDXUUJEXMA-JSGCOSHPSA-N 2 0 282.815 2.649 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090881909 347561002 /nfs/dbraw/zinc/56/10/02/347561002.db2.gz JVCBKWLAXMCUAD-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000091284510 347581465 /nfs/dbraw/zinc/58/14/65/347581465.db2.gz WRJOMIZVGYCEHV-WMLDXEAASA-N 2 0 273.424 2.853 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000091335703 347582866 /nfs/dbraw/zinc/58/28/66/347582866.db2.gz WUIWEKLYCJNEPF-GOEBONIOSA-N 2 0 261.413 2.710 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090524625 347551669 /nfs/dbraw/zinc/55/16/69/347551669.db2.gz RSYUOCUYBJYYKW-DIECFANBSA-N 2 0 282.472 2.779 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093210486 347665296 /nfs/dbraw/zinc/66/52/96/347665296.db2.gz QHNGELTWUDXHSG-ZWKOTPCHSA-N 3 0 289.467 2.888 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCCCCC2)CC1 ZINC000105442000 347728810 /nfs/dbraw/zinc/72/88/10/347728810.db2.gz RSEXBKJLSXUPHH-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000131433844 347878277 /nfs/dbraw/zinc/87/82/77/347878277.db2.gz SBIUIANDLNJLPK-JSGCOSHPSA-N 2 0 255.365 2.546 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150306000 347956633 /nfs/dbraw/zinc/95/66/33/347956633.db2.gz UXKSKSDBIJIGKK-GWCFXTLKSA-N 2 0 254.324 2.936 20 0 CFADRP C[N@@H+]1CCC[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000158094714 348005316 /nfs/dbraw/zinc/00/53/16/348005316.db2.gz OFFILFWSCSJQAI-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP CSCC[C@@H](C)[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000161507710 348024604 /nfs/dbraw/zinc/02/46/04/348024604.db2.gz ZAUAKRCLIFAKSB-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000163395834 348033351 /nfs/dbraw/zinc/03/33/51/348033351.db2.gz COHSXNCWDHOQDM-HIFRSBDPSA-N 2 0 269.392 2.652 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163428942 348033461 /nfs/dbraw/zinc/03/34/61/348033461.db2.gz QLARAQPPXXEEHI-GDBMZVCRSA-N 2 0 276.424 2.892 20 0 CFADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C)nc1C ZINC000228506517 348195496 /nfs/dbraw/zinc/19/54/96/348195496.db2.gz NUXGKUVTIJNEHV-UHFFFAOYSA-N 2 0 283.375 2.713 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@H]21 ZINC000228537679 348195537 /nfs/dbraw/zinc/19/55/37/348195537.db2.gz HOVSQSWKKSPBCR-KBRIMQKVSA-N 2 0 281.403 2.794 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCN2C)c1 ZINC000237087015 348238235 /nfs/dbraw/zinc/23/82/35/348238235.db2.gz QVVDHMDCJJNQCY-INIZCTEOSA-N 2 0 284.407 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC)C2(CC)CC)C1 ZINC000245902974 348258708 /nfs/dbraw/zinc/25/87/08/348258708.db2.gz OEWLKSPJPPUCEK-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000248831362 348278225 /nfs/dbraw/zinc/27/82/25/348278225.db2.gz HMUQNWQKISUWGR-WMZOPIPTSA-N 2 0 290.451 2.617 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000250423935 348287568 /nfs/dbraw/zinc/28/75/68/348287568.db2.gz BYYKTJLIRRXDLQ-NWDGAFQWSA-N 2 0 252.427 2.870 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000251785666 348293791 /nfs/dbraw/zinc/29/37/91/348293791.db2.gz WPBFIEZXZZWMJH-MUJYYYPQSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000273343562 192120210 /nfs/dbraw/zinc/12/02/10/192120210.db2.gz AACSCKRRSUVORI-INIZCTEOSA-N 2 0 259.397 2.774 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000128908696 187398039 /nfs/dbraw/zinc/39/80/39/187398039.db2.gz PDBQIEKQAKIDFM-LBPRGKRZSA-N 2 0 270.323 2.520 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000345369455 348460626 /nfs/dbraw/zinc/46/06/26/348460626.db2.gz MPPYFHCRBUWBDD-UONOGXRCSA-N 2 0 264.388 2.861 20 0 CFADRP Cc1[nH+]c2ccccc2c(NCCN2CC[NH+](C)CC2)c1C ZINC000273394352 192136834 /nfs/dbraw/zinc/13/68/34/192136834.db2.gz VKFGMGDWWQKVRN-UHFFFAOYSA-N 2 0 298.434 2.511 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cccc2O)C1CC[NH+](C)CC1 ZINC000130668728 539643442 /nfs/dbraw/zinc/64/34/42/539643442.db2.gz PCCNKWNUSNCROX-LRDDRELGSA-N 2 0 274.408 2.699 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000401930154 348579834 /nfs/dbraw/zinc/57/98/34/348579834.db2.gz VMLUWLZOXZWQBR-FZCLSBEQSA-N 2 0 288.435 2.664 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCSCC(C)C)CC1 ZINC000397454978 348561653 /nfs/dbraw/zinc/56/16/53/348561653.db2.gz NNTXZSIXVBHPME-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP CSC[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000400035078 348570802 /nfs/dbraw/zinc/57/08/02/348570802.db2.gz JFIKVKNGQFTRNT-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1COc2ccccc21 ZINC000584768019 348713883 /nfs/dbraw/zinc/71/38/83/348713883.db2.gz QQAGEZJFMKWAIV-KNCOVGOOSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000230678378 539659370 /nfs/dbraw/zinc/65/93/70/539659370.db2.gz PTDFJGWMUYKLHD-NEPJUHHUSA-N 2 0 267.442 2.567 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000584774781 348714475 /nfs/dbraw/zinc/71/44/75/348714475.db2.gz MIHSNABZMLVDQB-YUELXQCFSA-N 2 0 291.443 2.533 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000560954333 539660782 /nfs/dbraw/zinc/66/07/82/539660782.db2.gz QPOILEOXUVWATM-CHWSQXEVSA-N 2 0 254.324 2.984 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@H]1CCc2c(cccc2OC)C1 ZINC000584614945 348690742 /nfs/dbraw/zinc/69/07/42/348690742.db2.gz UVIXJNQCHXTVJO-HNNXBMFYSA-N 2 0 276.424 2.613 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000336400939 282976267 /nfs/dbraw/zinc/97/62/67/282976267.db2.gz XNPYZPRIKVVSCH-OAHLLOKOSA-N 2 0 262.372 2.647 20 0 CFADRP c1ccc2cc(OCCC[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000590058107 348871492 /nfs/dbraw/zinc/87/14/92/348871492.db2.gz BRRNLPPNWUMVIK-ROUUACIJSA-N 2 0 296.414 2.760 20 0 CFADRP CC1(C)[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(F)F ZINC000668679238 539690694 /nfs/dbraw/zinc/69/06/94/539690694.db2.gz DAOYWGQLHPPOSN-CQSZACIVSA-N 2 0 295.377 2.931 20 0 CFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591083193 348985462 /nfs/dbraw/zinc/98/54/62/348985462.db2.gz QTBIMNVDCNACJF-ZBFHGGJFSA-N 2 0 298.390 2.547 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccnc2)CC1 ZINC000590786444 348948906 /nfs/dbraw/zinc/94/89/06/348948906.db2.gz XMIODUBRAPVMBN-UHFFFAOYSA-N 2 0 261.413 2.634 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000127170875 539713918 /nfs/dbraw/zinc/71/39/18/539713918.db2.gz XSMIYEGYMQKKFA-NEPJUHHUSA-N 2 0 268.401 2.587 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccs1 ZINC000564825437 290237065 /nfs/dbraw/zinc/23/70/65/290237065.db2.gz HAWOHHNDGHBXLG-TZMCWYRMSA-N 2 0 252.427 2.658 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)CC[NH+](C)C)C1CCCCC1 ZINC000668730068 539726012 /nfs/dbraw/zinc/72/60/12/539726012.db2.gz GTRQFFYTOVOQMW-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@H+]1CC=C(CNc2cc[nH+]c3ccccc23)CC1 ZINC000273993687 192394562 /nfs/dbraw/zinc/39/45/62/192394562.db2.gz RYIZKHXNHXWNLK-UHFFFAOYSA-N 2 0 253.349 2.909 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000414280388 233214434 /nfs/dbraw/zinc/21/44/34/233214434.db2.gz CZTUOZUBIVJJRX-GASCZTMLSA-N 2 0 292.471 2.576 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1 ZINC000668743453 539750560 /nfs/dbraw/zinc/75/05/60/539750560.db2.gz ICKOWDRYEWEZAA-RCCFBDPRSA-N 2 0 288.410 2.926 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000093339801 539750995 /nfs/dbraw/zinc/75/09/95/539750995.db2.gz CLSBJTLVPHYMSL-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1F ZINC000090721602 180031339 /nfs/dbraw/zinc/03/13/39/180031339.db2.gz UGNGCWXCOSDGNI-TZMCWYRMSA-N 2 0 250.361 2.706 20 0 CFADRP c1cc(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000679926225 542250543 /nfs/dbraw/zinc/25/05/43/542250543.db2.gz ULPONHWOKCHSDJ-UHFFFAOYSA-N 2 0 287.432 2.898 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000090720355 180030315 /nfs/dbraw/zinc/03/03/15/180030315.db2.gz YQTAEJMJQQROSO-SMDDNHRTSA-N 2 0 252.789 2.912 20 0 CFADRP Cc1csc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000080275424 539756905 /nfs/dbraw/zinc/75/69/05/539756905.db2.gz CATONLNSUBIDIO-NEPJUHHUSA-N 2 0 267.442 2.832 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414673734 233323050 /nfs/dbraw/zinc/32/30/50/233323050.db2.gz JPEGSELWGLLMGR-BPQIPLTHSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2nc3c(s2)CCCC3)CC[NH2+]1 ZINC000414690294 233327783 /nfs/dbraw/zinc/32/77/83/233327783.db2.gz HNZKBYHVJCUQAL-QWHCGFSZSA-N 2 0 293.480 2.842 20 0 CFADRP CCOc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000414748799 233342517 /nfs/dbraw/zinc/34/25/17/233342517.db2.gz VAFZZTFZQOMBSQ-HUUCEWRRSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414709232 233335426 /nfs/dbraw/zinc/33/54/26/233335426.db2.gz PTNGGDRGWBMTJL-SOLBZPMBSA-N 2 0 287.451 2.951 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414797637 233354221 /nfs/dbraw/zinc/35/42/21/233354221.db2.gz PGCAAWUABPPVIA-JSGCOSHPSA-N 2 0 266.454 2.912 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000414800424 233356220 /nfs/dbraw/zinc/35/62/20/233356220.db2.gz KTQGHRLBPVARAJ-QWHCGFSZSA-N 2 0 254.324 2.841 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414802760 233357702 /nfs/dbraw/zinc/35/77/02/233357702.db2.gz VWTDLNCOYDVUBS-WMZOPIPTSA-N 2 0 281.403 2.966 20 0 CFADRP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(F)c1F ZINC000414773544 233346431 /nfs/dbraw/zinc/34/64/31/233346431.db2.gz DNKVQQLRYRAOAZ-OLZOCXBDSA-N 2 0 298.352 2.925 20 0 CFADRP c1sc(C2CC2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784263 233350862 /nfs/dbraw/zinc/35/08/62/233350862.db2.gz RBFQIYXSPMRULX-KGLIPLIRSA-N 2 0 291.464 2.842 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000414788196 233350949 /nfs/dbraw/zinc/35/09/49/233350949.db2.gz WKVHHDLVBMIFRK-CHWSQXEVSA-N 2 0 280.362 2.786 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000414810842 233360537 /nfs/dbraw/zinc/36/05/37/233360537.db2.gz ORGZAGKEJWTPQM-LBPRGKRZSA-N 2 0 284.359 2.725 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[C@H](C)[NH3+] ZINC000414821595 233365349 /nfs/dbraw/zinc/36/53/49/233365349.db2.gz LOGFSUVYUFLYJN-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@H]2CCSC2)cc1 ZINC000414819949 233366336 /nfs/dbraw/zinc/36/63/36/233366336.db2.gz ZZNGHGTZXBIALQ-DGCLKSJQSA-N 2 0 250.411 2.549 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414822256 233366348 /nfs/dbraw/zinc/36/63/48/233366348.db2.gz DLEZDJKDPQIJRX-OCCSQVGLSA-N 2 0 298.377 2.951 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1Cl ZINC000414824580 233366909 /nfs/dbraw/zinc/36/69/09/233366909.db2.gz QYBIJOXXNITYES-NWDGAFQWSA-N 2 0 297.830 2.692 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000414831012 233370412 /nfs/dbraw/zinc/37/04/12/233370412.db2.gz PDAJGTOXVUPERZ-QGPPMGRFSA-N 2 0 276.811 2.680 20 0 CFADRP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414831856 233370745 /nfs/dbraw/zinc/37/07/45/233370745.db2.gz QBVLEWGWEVUBBI-GFCCVEGCSA-N 2 0 289.810 2.977 20 0 CFADRP c1cc(-c2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)cs1 ZINC000414838567 233372241 /nfs/dbraw/zinc/37/22/41/233372241.db2.gz VLBIVUUWOVAOTD-NSHDSACASA-N 2 0 293.461 2.961 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1F ZINC000105480384 186059443 /nfs/dbraw/zinc/05/94/43/186059443.db2.gz WSOPBRWKRXFMOP-WFASDCNBSA-N 2 0 250.361 2.564 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480456 186059786 /nfs/dbraw/zinc/05/97/86/186059786.db2.gz DMXOIABSOCMCGM-YOEHRIQHSA-N 2 0 276.424 2.904 20 0 CFADRP c1ccc(OCCCCC[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414842379 233375328 /nfs/dbraw/zinc/37/53/28/233375328.db2.gz BEOMBZWAHQGBAN-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]C[C@H](C)C[NH3+] ZINC000414887130 233388937 /nfs/dbraw/zinc/38/89/37/233388937.db2.gz YTQNUNFYXXYNQL-GFCCVEGCSA-N 2 0 258.365 2.533 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000414921736 233399080 /nfs/dbraw/zinc/39/90/80/233399080.db2.gz FSUZJBDJBZOQIB-VXGBXAGGSA-N 2 0 256.752 2.839 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000414896220 233391658 /nfs/dbraw/zinc/39/16/58/233391658.db2.gz BDLDIYKVVVVCMH-CQSZACIVSA-N 2 0 252.789 2.819 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cccc3cccnc32)CCC[NH2+]C1 ZINC000414903446 233393769 /nfs/dbraw/zinc/39/37/69/233393769.db2.gz LZYBQVNAVQVHKC-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP FC(F)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414907100 233395424 /nfs/dbraw/zinc/39/54/24/233395424.db2.gz BMLWGRBKZIRTGB-ZDUSSCGKSA-N 2 0 254.324 2.856 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[NH3+])cc1Cl ZINC000414914124 233397677 /nfs/dbraw/zinc/39/76/77/233397677.db2.gz WYQNFHIVGWTXBY-GFCCVEGCSA-N 2 0 297.830 2.694 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414921787 233399210 /nfs/dbraw/zinc/39/92/10/233399210.db2.gz FWFRQHISZASWKG-NWDGAFQWSA-N 2 0 270.323 2.648 20 0 CFADRP Clc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414851635 233377882 /nfs/dbraw/zinc/37/78/82/233377882.db2.gz OONRASVLGRGOQE-GFCCVEGCSA-N 2 0 252.789 2.819 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920462 233399808 /nfs/dbraw/zinc/39/98/08/233399808.db2.gz ZLLYHYUTGNEFRG-CJNGLKHVSA-N 2 0 264.388 2.736 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414831370 282979406 /nfs/dbraw/zinc/97/94/06/282979406.db2.gz NGHBJRIKCAPFPX-JTQLQIEISA-N 2 0 290.304 2.934 20 0 CFADRP COC(=O)CC1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000599022863 350360386 /nfs/dbraw/zinc/36/03/86/350360386.db2.gz ULJWYOGWHJRGOK-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414987895 233427095 /nfs/dbraw/zinc/42/70/95/233427095.db2.gz FDPSADXPPJGLEN-WCQYABFASA-N 2 0 284.350 2.895 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000415067883 233453915 /nfs/dbraw/zinc/45/39/15/233453915.db2.gz LNCTZRABCQUOLQ-QAPCUYQASA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000415028743 233441238 /nfs/dbraw/zinc/44/12/38/233441238.db2.gz ZCZZGPQPONRRIO-XYPYZODXSA-N 2 0 286.341 2.959 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccccc2Cn2cccn2)CC1 ZINC000415105399 233467859 /nfs/dbraw/zinc/46/78/59/233467859.db2.gz MDYWPKZSFKXBID-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000415142002 233476590 /nfs/dbraw/zinc/47/65/90/233476590.db2.gz QGOHRPIFZDQVJK-BCLQGDPASA-N 2 0 291.414 2.512 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1F ZINC000106410252 186115183 /nfs/dbraw/zinc/11/51/83/186115183.db2.gz LFAWRQAVQXBKRD-CYBMUJFWSA-N 2 0 264.388 2.956 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000342103916 282713005 /nfs/dbraw/zinc/71/30/05/282713005.db2.gz VPXQQQRRWNOPOA-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000110644369 186309207 /nfs/dbraw/zinc/30/92/07/186309207.db2.gz MBYTVIOHMFKGJZ-GFCCVEGCSA-N 2 0 258.365 2.992 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CC(C)(C(=O)OCC)C2)CC1 ZINC000601266026 350712343 /nfs/dbraw/zinc/71/23/43/350712343.db2.gz ZLNSJYRVHJXXRD-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000602018414 350833006 /nfs/dbraw/zinc/83/30/06/350833006.db2.gz BJJQJQWPPHCXEA-NQBHXWOUSA-N 2 0 296.436 2.703 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1 ZINC000602291284 350860008 /nfs/dbraw/zinc/86/00/08/350860008.db2.gz JBAQSLIXSIKSSO-OAHLLOKOSA-N 2 0 276.424 2.763 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(CC)(CC)C(=O)OCC)CC1 ZINC000602731733 351005032 /nfs/dbraw/zinc/00/50/32/351005032.db2.gz GWOZNZJZPGKQRB-UHFFFAOYSA-N 2 0 298.471 2.820 20 0 CFADRP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876821 351055336 /nfs/dbraw/zinc/05/53/36/351055336.db2.gz BOUVNRVZYALNQF-CQSZACIVSA-N 2 0 296.455 2.524 20 0 CFADRP C[N@@H+](Cc1ccncc1Cl)CC1CC[NH+](C)CC1 ZINC000608497294 351445181 /nfs/dbraw/zinc/44/51/81/351445181.db2.gz FIMMAWQWAPNCRK-UHFFFAOYSA-N 2 0 267.804 2.509 20 0 CFADRP CCCC[C@@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609137213 351486918 /nfs/dbraw/zinc/48/69/18/351486918.db2.gz UTYGAIIMXXUDNZ-INIZCTEOSA-N 2 0 298.471 2.770 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1Cl ZINC000565435153 290302039 /nfs/dbraw/zinc/30/20/39/290302039.db2.gz YQEFMTSRCXUCCG-QWHCGFSZSA-N 2 0 282.815 2.751 20 0 CFADRP COC(C)(C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000122179428 187018991 /nfs/dbraw/zinc/01/89/91/187018991.db2.gz VQRASQLHKWBNJN-AWEZNQCLSA-N 2 0 294.439 2.703 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)[C@H]2CCOC2)CC1 ZINC000122775771 187050950 /nfs/dbraw/zinc/05/09/50/187050950.db2.gz GDVWXXSYPCUTGN-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292050444 198145471 /nfs/dbraw/zinc/14/54/71/198145471.db2.gz BLZWRHBOCZKENT-KRWDZBQOSA-N 2 0 258.409 2.565 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292069309 198152198 /nfs/dbraw/zinc/15/21/98/198152198.db2.gz DJMHRJQRJHIXCL-DOTOQJQBSA-N 2 0 258.409 2.818 20 0 CFADRP O[C@@H](C[NH2+]C[C@H]1CCCCN1C1CC1)CC1CCCC1 ZINC000571277448 383679189 /nfs/dbraw/zinc/67/91/89/383679189.db2.gz ISHXTASWQJDVAC-IAGOWNOFSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000093503375 539902026 /nfs/dbraw/zinc/90/20/26/539902026.db2.gz BJJVQKGOVRHURE-HUUCEWRRSA-N 2 0 276.424 2.715 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCc3cccc(F)c3)C2)C1 ZINC000292130126 198175308 /nfs/dbraw/zinc/17/53/08/198175308.db2.gz LFECQJOQLYLWKO-QGZVFWFLSA-N 2 0 276.399 2.786 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC000292177489 198192712 /nfs/dbraw/zinc/19/27/12/198192712.db2.gz QDTHCSAIOXMZIK-SFHVURJKSA-N 2 0 281.403 2.762 20 0 CFADRP COCC[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152698283 188037270 /nfs/dbraw/zinc/03/72/70/188037270.db2.gz YLWOOKYCKHBWLK-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000154246214 188131823 /nfs/dbraw/zinc/13/18/23/188131823.db2.gz RKRKNNOCALWXHA-SFHVURJKSA-N 2 0 289.467 2.755 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000154324287 188135687 /nfs/dbraw/zinc/13/56/87/188135687.db2.gz WQSYMLDEKQDTOI-KRWDZBQOSA-N 2 0 289.467 2.673 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718970 303450440 /nfs/dbraw/zinc/45/04/40/303450440.db2.gz QLFNWRYTYQJZQR-SJORKVTESA-N 3 0 281.488 2.892 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1 ZINC000234838296 539995161 /nfs/dbraw/zinc/99/51/61/539995161.db2.gz HNVKVWCJIHQPKK-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621774167 353422533 /nfs/dbraw/zinc/42/25/33/353422533.db2.gz MEFBQLYIOWASQV-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccccc21 ZINC000622044055 353468600 /nfs/dbraw/zinc/46/86/00/353468600.db2.gz SSJXCPSHEWFVAG-OASPWFOLSA-N 2 0 252.308 2.766 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OC ZINC000622044829 353469269 /nfs/dbraw/zinc/46/92/69/353469269.db2.gz URFDUAMRSVSJQQ-AVGNSLFASA-N 2 0 280.412 2.523 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)CC1(C)C ZINC000623347628 353621057 /nfs/dbraw/zinc/62/10/57/353621057.db2.gz GFZNRZQGNVVJSN-CQSZACIVSA-N 2 0 280.387 2.667 20 0 CFADRP Cc1noc(C)c1[C@@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623419196 353639293 /nfs/dbraw/zinc/63/92/93/353639293.db2.gz ZHKYRNWIJUFCFS-MFKMUULPSA-N 2 0 265.401 2.815 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426783 353641532 /nfs/dbraw/zinc/64/15/32/353641532.db2.gz ZYODUVAJVVQOIJ-BXUZGUMPSA-N 2 0 279.428 2.685 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623428979 353642097 /nfs/dbraw/zinc/64/20/97/353642097.db2.gz HMTAIPCRFOXYQW-GJZGRUSLSA-N 2 0 261.413 2.995 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623428978 353642601 /nfs/dbraw/zinc/64/26/01/353642601.db2.gz HMTAIPCRFOXYQW-CABCVRRESA-N 2 0 261.413 2.995 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)CC1(C)C ZINC000623445767 353647443 /nfs/dbraw/zinc/64/74/43/353647443.db2.gz CTBIJZYBDYCIHN-JSGCOSHPSA-N 2 0 256.459 2.735 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623336065 353616662 /nfs/dbraw/zinc/61/66/62/353616662.db2.gz UBMXDBBSJVYNOX-HNNXBMFYSA-N 2 0 276.424 2.700 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623339139 353618118 /nfs/dbraw/zinc/61/81/18/353618118.db2.gz LHIOUXJVRCSQSY-OAHLLOKOSA-N 2 0 276.424 2.836 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623347286 353620169 /nfs/dbraw/zinc/62/01/69/353620169.db2.gz WNSQRICGJCBDLG-LSDHHAIUSA-N 2 0 295.496 2.813 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)CC1(C)C ZINC000623493176 353656818 /nfs/dbraw/zinc/65/68/18/353656818.db2.gz XPYIFPMWFBAWDN-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526605 353664148 /nfs/dbraw/zinc/66/41/48/353664148.db2.gz JEDBLJMGEBHLHN-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623551962 353669315 /nfs/dbraw/zinc/66/93/15/353669315.db2.gz PMYRDFJYJRNEBH-KBPBESRZSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)CC1(C)C ZINC000623549580 353669375 /nfs/dbraw/zinc/66/93/75/353669375.db2.gz HBFBTAWEVMABCG-AWEZNQCLSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623551963 353669801 /nfs/dbraw/zinc/66/98/01/353669801.db2.gz PMYRDFJYJRNEBH-KGLIPLIRSA-N 2 0 256.434 2.510 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623548787 353669886 /nfs/dbraw/zinc/66/98/86/353669886.db2.gz BXGWEPWTXQDAOU-OIISXLGYSA-N 2 0 288.435 2.761 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623550176 353669970 /nfs/dbraw/zinc/66/99/70/353669970.db2.gz DRCIMLVTHLULES-YMAMQOFZSA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623561157 353671563 /nfs/dbraw/zinc/67/15/63/353671563.db2.gz CYLQEBBBKJZREZ-ZIAGYGMSSA-N 2 0 270.461 2.900 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2cc(F)c(F)c(F)c2)C1 ZINC000623656156 353696666 /nfs/dbraw/zinc/69/66/66/353696666.db2.gz ODHQISZUVDHTNQ-NSHDSACASA-N 2 0 286.341 2.925 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000623589227 353679772 /nfs/dbraw/zinc/67/97/72/353679772.db2.gz BIMQRHVUKNRINU-QLFBSQMISA-N 2 0 282.391 2.793 20 0 CFADRP COc1ccsc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623656269 353697184 /nfs/dbraw/zinc/69/71/84/353697184.db2.gz QRQBKSLLHNMJMP-GFCCVEGCSA-N 2 0 268.426 2.578 20 0 CFADRP COC1(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000623657735 353697730 /nfs/dbraw/zinc/69/77/30/353697730.db2.gz XRIQLYQHDHMRJJ-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657802 353699302 /nfs/dbraw/zinc/69/93/02/353699302.db2.gz ZLSURLXXABAOHJ-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000623887762 353749846 /nfs/dbraw/zinc/74/98/46/353749846.db2.gz MQNUIZFIHKIFSN-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)n1 ZINC000623887720 353749983 /nfs/dbraw/zinc/74/99/83/353749983.db2.gz LCHMLVTWLJOGCV-GFCCVEGCSA-N 2 0 267.442 2.834 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623895693 353752094 /nfs/dbraw/zinc/75/20/94/353752094.db2.gz YXWIFFOBJJZHTF-DYVFJYSZSA-N 2 0 294.414 2.935 20 0 CFADRP Cc1cccc([C@@H]([NH2+]CCOCC[NH+](C)C)C(C)C)c1 ZINC000623967938 353771397 /nfs/dbraw/zinc/77/13/97/353771397.db2.gz NSSYZNIKQGXPSJ-KRWDZBQOSA-N 2 0 278.440 2.860 20 0 CFADRP Cc1csc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000623971956 353772246 /nfs/dbraw/zinc/77/22/46/353772246.db2.gz MTPSSKCMHUNRTC-LBPRGKRZSA-N 2 0 279.453 2.977 20 0 CFADRP Cc1nccn1CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623868027 353744253 /nfs/dbraw/zinc/74/42/53/353744253.db2.gz RPKRLBRZAMRSDN-GFCCVEGCSA-N 2 0 276.409 2.705 20 0 CFADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000623871715 353745706 /nfs/dbraw/zinc/74/57/06/353745706.db2.gz LCZLDPVFGDXGQG-DOTOQJQBSA-N 2 0 276.424 2.666 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000623879033 353747130 /nfs/dbraw/zinc/74/71/30/353747130.db2.gz VYQLURMYTTUKGA-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CO2 ZINC000624071609 353797918 /nfs/dbraw/zinc/79/79/18/353797918.db2.gz FJAWQZDMRQJNKV-MRXNPFEDSA-N 2 0 288.435 2.761 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000624077257 353799085 /nfs/dbraw/zinc/79/90/85/353799085.db2.gz BXPDZODVIIVYIZ-CRAIPNDOSA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@@H](C)C1 ZINC000624113049 353808988 /nfs/dbraw/zinc/80/89/88/353808988.db2.gz UXBPFRGTSIIREY-HOTGVXAUSA-N 2 0 289.467 2.988 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624120715 353810383 /nfs/dbraw/zinc/81/03/83/353810383.db2.gz FPONSTPLBPCQJC-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C[C@H]1OC ZINC000624122365 353811657 /nfs/dbraw/zinc/81/16/57/353811657.db2.gz PGLQKGNCZFIJKM-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122058 353812193 /nfs/dbraw/zinc/81/21/93/353812193.db2.gz IXABSEAKRGIURK-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000624123310 353812591 /nfs/dbraw/zinc/81/25/91/353812591.db2.gz JPWJKQGJYNRFEA-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123610 353812617 /nfs/dbraw/zinc/81/26/17/353812617.db2.gz PIIONCMJQYRDKA-UKRRQHHQSA-N 2 0 250.386 2.532 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCCC1 ZINC000624124203 353812706 /nfs/dbraw/zinc/81/27/06/353812706.db2.gz ZTXZIZYESWGPSP-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000624123587 353813176 /nfs/dbraw/zinc/81/31/76/353813176.db2.gz OONNVIZRUJJJGE-RDJZCZTQSA-N 2 0 287.451 2.651 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000624188869 353829664 /nfs/dbraw/zinc/82/96/64/353829664.db2.gz JRICIVUDUFQEJY-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC000624199655 353832689 /nfs/dbraw/zinc/83/26/89/353832689.db2.gz UYAUFOIDUZAKEM-RBGFHDKUSA-N 2 0 250.430 2.743 20 0 CFADRP C/C=C/C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000624197768 353832759 /nfs/dbraw/zinc/83/27/59/353832759.db2.gz WLUPHABUBMVGGA-VBROQKIQSA-N 2 0 262.397 2.854 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000624271900 353852677 /nfs/dbraw/zinc/85/26/77/353852677.db2.gz LHQCMZKYOGVUGR-IHRRRGAJSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CCC1(C)C ZINC000625723828 354094885 /nfs/dbraw/zinc/09/48/85/354094885.db2.gz WBICARKUBJYXAF-AWEZNQCLSA-N 2 0 270.461 2.588 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250958 282995758 /nfs/dbraw/zinc/99/57/58/282995758.db2.gz RHKKUJNMYOYDHV-MLGOLLRUSA-N 2 0 262.372 2.792 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH+]1CCC3(CC[NH2+]C3)CC1)CC2 ZINC000336528649 283001122 /nfs/dbraw/zinc/00/11/22/283001122.db2.gz QTBKTJGLEJFXEQ-INIZCTEOSA-N 2 0 274.383 2.889 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000625984804 354160369 /nfs/dbraw/zinc/16/03/69/354160369.db2.gz OJNWVTYCZMYEFI-SJORKVTESA-N 2 0 278.440 2.594 20 0 CFADRP CC[C@H](C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000626063934 354184188 /nfs/dbraw/zinc/18/41/88/354184188.db2.gz VXRCTABQWMFQGL-QGZVFWFLSA-N 2 0 278.440 2.995 20 0 CFADRP CC[N@H+](CCC1(O)CCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063917 354184219 /nfs/dbraw/zinc/18/42/19/354184219.db2.gz VDAWMZUVICGYSI-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423443192 283003745 /nfs/dbraw/zinc/00/37/45/283003745.db2.gz QHYKYGNTXUCYBJ-YESZJQIVSA-N 2 0 274.383 2.791 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000165977276 188634217 /nfs/dbraw/zinc/63/42/17/188634217.db2.gz OHPNNJYLZRHFKS-YXJHDRRASA-N 2 0 290.451 2.866 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628133668 354442913 /nfs/dbraw/zinc/44/29/13/354442913.db2.gz LWNSGNUGZBPWGJ-UHFFFAOYSA-N 2 0 279.428 2.927 20 0 CFADRP Cc1ccnc(N2CC[NH+](C[C@@]3(C)CCCS3)CC2)c1 ZINC000628146666 354446579 /nfs/dbraw/zinc/44/65/79/354446579.db2.gz VUTJRLBPOSBFKP-MRXNPFEDSA-N 2 0 291.464 2.798 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000628165879 354456175 /nfs/dbraw/zinc/45/61/75/354456175.db2.gz PYFNFAPZYBQEJG-GVDBMIGSSA-N 2 0 296.499 2.980 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCS1 ZINC000628182074 354463135 /nfs/dbraw/zinc/46/31/35/354463135.db2.gz BPYNICRNKYIDQC-CABCVRRESA-N 2 0 268.470 2.690 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@]3(C)CCCS3)CC[C@@H]21 ZINC000628190672 354470356 /nfs/dbraw/zinc/47/03/56/354470356.db2.gz MTNXABFDOJVCFX-ILXRZTDVSA-N 2 0 268.470 2.688 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000628203290 354475739 /nfs/dbraw/zinc/47/57/39/354475739.db2.gz BIUSFNFRFCWFIJ-IRXDYDNUSA-N 2 0 282.472 2.905 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628208469 354477430 /nfs/dbraw/zinc/47/74/30/354477430.db2.gz ONDSUZJJAJBHQU-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2oc(C)nc2C)CC1 ZINC000628214055 354480250 /nfs/dbraw/zinc/48/02/50/354480250.db2.gz IYCBJSIVDLUJQN-UHFFFAOYSA-N 2 0 265.401 2.503 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000449344230 291030980 /nfs/dbraw/zinc/03/09/80/291030980.db2.gz QBJDPVNTLOTODE-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628299532 354529224 /nfs/dbraw/zinc/52/92/24/354529224.db2.gz RQBLFSBJBBCFQK-UHFFFAOYSA-N 2 0 265.401 2.762 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CS1 ZINC000628425802 354586190 /nfs/dbraw/zinc/58/61/90/354586190.db2.gz VTQWJUDMFHQCDC-ZNMIVQPWSA-N 2 0 270.486 2.838 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000629388650 354799033 /nfs/dbraw/zinc/79/90/33/354799033.db2.gz RECXXRBVLAMVEY-JKSUJKDBSA-N 2 0 292.398 2.559 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000629529998 354833036 /nfs/dbraw/zinc/83/30/36/354833036.db2.gz SLHHODYVOYINGP-LBPRGKRZSA-N 2 0 282.453 2.514 20 0 CFADRP [NH3+]CCCOCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629400624 354802822 /nfs/dbraw/zinc/80/28/22/354802822.db2.gz GMUXJQVIWGVPOM-UHFFFAOYSA-N 2 0 282.771 2.541 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])C[C@@H](c2ccccc2)C1 ZINC000629399030 354803270 /nfs/dbraw/zinc/80/32/70/354803270.db2.gz ATDNHWVHOCGHNT-SZMVWBNQSA-N 2 0 290.451 2.914 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000629402745 354803729 /nfs/dbraw/zinc/80/37/29/354803729.db2.gz DWABBGOJPANBLN-CABCVRRESA-N 2 0 270.461 2.807 20 0 CFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000629531631 354833559 /nfs/dbraw/zinc/83/35/59/354833559.db2.gz RWJXIVRWTOWFHX-VGWMRTNUSA-N 2 0 268.445 2.830 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2ccccc21 ZINC000629514872 354824775 /nfs/dbraw/zinc/82/47/75/354824775.db2.gz UWHLEFCZJWCMCF-KFKAGJAMSA-N 2 0 294.398 2.862 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629514207 354824914 /nfs/dbraw/zinc/82/49/14/354824914.db2.gz KIVMOTBNOVKXPU-BZUAXINKSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCCCC[C@H]1[NH3+])CO2 ZINC000629515609 354825496 /nfs/dbraw/zinc/82/54/96/354825496.db2.gz UIXBRNPZFUIQOH-NUEKZKHPSA-N 2 0 274.408 2.548 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629515862 354825609 /nfs/dbraw/zinc/82/56/09/354825609.db2.gz XRWXWMXPHFSXJN-WSOGKROESA-N 2 0 288.435 2.521 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519932 354826816 /nfs/dbraw/zinc/82/68/16/354826816.db2.gz IYLNNOKFSJJECX-CABCVRRESA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522222 354827851 /nfs/dbraw/zinc/82/78/51/354827851.db2.gz XYRYUTNOWHSWRH-IAGOWNOFSA-N 2 0 288.435 2.969 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)nc1 ZINC000629523963 354828549 /nfs/dbraw/zinc/82/85/49/354828549.db2.gz ORZHMAJZOTZEKL-GJZGRUSLSA-N 2 0 275.440 2.645 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000629522735 354828752 /nfs/dbraw/zinc/82/87/52/354828752.db2.gz HQYJQJMGDLRFET-CABCVRRESA-N 2 0 275.440 2.645 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CCOCC1 ZINC000629523103 354828787 /nfs/dbraw/zinc/82/87/87/354828787.db2.gz FRHDPNHGMSKQIH-HNNXBMFYSA-N 2 0 294.826 2.815 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc2ccccc21 ZINC000629523594 354828858 /nfs/dbraw/zinc/82/88/58/354828858.db2.gz ICHNWKKCZNOQHQ-AWEZNQCLSA-N 2 0 284.403 2.998 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C)cc1 ZINC000629524167 354830198 /nfs/dbraw/zinc/83/01/98/354830198.db2.gz MQLRCVDJMRVVEO-OAHLLOKOSA-N 2 0 262.397 2.544 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000629530910 354834199 /nfs/dbraw/zinc/83/41/99/354834199.db2.gz UZMAZRRXGRZZPY-INIZCTEOSA-N 2 0 290.451 2.713 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000629528922 354832588 /nfs/dbraw/zinc/83/25/88/354832588.db2.gz MZOWXBHAXIIIMF-CYBMUJFWSA-N 2 0 270.442 2.661 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)C[C@H]21 ZINC000629646670 354874915 /nfs/dbraw/zinc/87/49/15/354874915.db2.gz BVAMVHSMYUCHAR-BRWVUGGUSA-N 2 0 284.403 2.522 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000629648894 354875465 /nfs/dbraw/zinc/87/54/65/354875465.db2.gz BQVYUTQFZVFTNI-SHTZXODSSA-N 2 0 286.419 2.817 20 0 CFADRP c1ccc2c(c1)C=C(C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)CO2 ZINC000629651907 354877246 /nfs/dbraw/zinc/87/72/46/354877246.db2.gz OFCLJGLRDBODFG-SFHVURJKSA-N 2 0 298.430 2.926 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]2C[C@H]2C1 ZINC000629535575 354835615 /nfs/dbraw/zinc/83/56/15/354835615.db2.gz FATRBZQWKSUCEP-GGGWTEGZSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)C[C@H]([NH2+]CCOCCC[NH3+])c1cccs1 ZINC000629534973 354835720 /nfs/dbraw/zinc/83/57/20/354835720.db2.gz CDEARFHHDNSKHR-ZDUSSCGKSA-N 2 0 270.442 2.790 20 0 CFADRP CC(C)[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c(F)c1 ZINC000629539924 354838683 /nfs/dbraw/zinc/83/86/83/354838683.db2.gz SAWKFWAPFRQMDU-OAHLLOKOSA-N 2 0 286.366 2.617 20 0 CFADRP Cc1cc(C)c([C@@H](C)[NH2+]CCOCCC[NH3+])cc1C ZINC000629541098 354838706 /nfs/dbraw/zinc/83/87/06/354838706.db2.gz RCTKPMQOWGNJBE-OAHLLOKOSA-N 2 0 264.413 2.628 20 0 CFADRP CCc1cccc(Cl)c1C[N@H+](C)CCOCC[NH2+]C ZINC000629654390 354878176 /nfs/dbraw/zinc/87/81/76/354878176.db2.gz QNLWRIKLRIKBPT-UHFFFAOYSA-N 2 0 284.831 2.570 20 0 CFADRP CC(C)Cc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541605 354839780 /nfs/dbraw/zinc/83/97/80/354839780.db2.gz RYYCEYACHZJASZ-HNNXBMFYSA-N 2 0 278.440 2.901 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543442 354840435 /nfs/dbraw/zinc/84/04/35/354840435.db2.gz BOYSVIUSMCZQBN-DMDPSCGWSA-N 2 0 299.821 2.773 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543479 354840677 /nfs/dbraw/zinc/84/06/77/354840677.db2.gz CHOKSNPBCWMSHB-YUTCNCBUSA-N 2 0 297.805 2.527 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629548121 354843888 /nfs/dbraw/zinc/84/38/88/354843888.db2.gz MEQSQBBKIYCCAD-UHFFFAOYSA-N 2 0 268.788 2.606 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550289 354844996 /nfs/dbraw/zinc/84/49/96/354844996.db2.gz LBASVCVSLDKZRI-KRWDZBQOSA-N 2 0 299.418 2.592 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000629550653 354845019 /nfs/dbraw/zinc/84/50/19/354845019.db2.gz OVTJZRYLXMNNKV-WDEREUQCSA-N 2 0 264.335 2.969 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629563422 354847852 /nfs/dbraw/zinc/84/78/52/354847852.db2.gz PRHXXYVIPBXOKQ-KGLIPLIRSA-N 2 0 286.341 2.688 20 0 CFADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000629591569 354853011 /nfs/dbraw/zinc/85/30/11/354853011.db2.gz JTLCCXYLZSHYNJ-BDXSIMOUSA-N 2 0 292.467 2.513 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2ccc(C[NH3+])cc2)c1 ZINC000629700806 354900271 /nfs/dbraw/zinc/90/02/71/354900271.db2.gz OQEIRAWJHKJQRV-UHFFFAOYSA-N 2 0 270.376 2.753 20 0 CFADRP CC(C)(C)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657373 354880380 /nfs/dbraw/zinc/88/03/80/354880380.db2.gz XAMOVCFCMAHESI-MNOVXSKESA-N 2 0 266.351 2.882 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000679398420 540046528 /nfs/dbraw/zinc/04/65/28/540046528.db2.gz RSGHRFYPLFGJES-MRXNPFEDSA-N 2 0 276.424 2.850 20 0 CFADRP C[C@H](c1cccc(Br)c1)[N@H+](C)CCC[NH3+] ZINC000227744804 540054257 /nfs/dbraw/zinc/05/42/57/540054257.db2.gz YKJKCSMNSXOGAB-SNVBAGLBSA-N 2 0 271.202 2.791 20 0 CFADRP Cc1scc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000630073802 354996961 /nfs/dbraw/zinc/99/69/61/354996961.db2.gz CMKAVKBHEUARAZ-XBXGTLAGSA-N 2 0 252.427 2.795 20 0 CFADRP Cc1sccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000293501698 198659453 /nfs/dbraw/zinc/65/94/53/198659453.db2.gz HKPIIUVVIARNOA-LBPRGKRZSA-N 2 0 252.427 2.878 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000287671225 540120766 /nfs/dbraw/zinc/12/07/66/540120766.db2.gz VUNYJBOKHOYPRO-FHLIZLRMSA-N 2 0 290.451 2.602 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000271824001 191349561 /nfs/dbraw/zinc/34/95/61/191349561.db2.gz CWDCSCREBNASEU-JTQLQIEISA-N 2 0 265.426 2.672 20 0 CFADRP CC(C)n1ncnc1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000631043634 355262241 /nfs/dbraw/zinc/26/22/41/355262241.db2.gz ZNZYMXRDJSBVKH-HNNXBMFYSA-N 2 0 293.459 2.603 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631065318 355271862 /nfs/dbraw/zinc/27/18/62/355271862.db2.gz QJYRZVABYIGCPZ-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)c(F)c1 ZINC000631065896 355272077 /nfs/dbraw/zinc/27/20/77/355272077.db2.gz VTSHHTHASGUFKL-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(CO)c1 ZINC000271843461 191362896 /nfs/dbraw/zinc/36/28/96/191362896.db2.gz BVVWPJJLRLRNTE-AWEZNQCLSA-N 2 0 288.435 2.846 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271869107 191379149 /nfs/dbraw/zinc/37/91/49/191379149.db2.gz MDMMMNHQLDEKKI-OAHLLOKOSA-N 2 0 258.409 2.859 20 0 CFADRP COc1cncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1C ZINC000631099135 355290364 /nfs/dbraw/zinc/29/03/64/355290364.db2.gz IBDGVBUBSIUPGC-UHFFFAOYSA-N 2 0 291.439 2.609 20 0 CFADRP Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000631151711 355317193 /nfs/dbraw/zinc/31/71/93/355317193.db2.gz JJOJTBWMQUTNRI-GOOCMWNKSA-N 2 0 262.372 2.849 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1(C)C ZINC000631184987 355336770 /nfs/dbraw/zinc/33/67/70/355336770.db2.gz UGCKVASWUQDUMS-BBWFWOEESA-N 2 0 288.435 2.979 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000669417498 540144292 /nfs/dbraw/zinc/14/42/92/540144292.db2.gz PDJDFDVYIBSTIB-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000631249694 355373226 /nfs/dbraw/zinc/37/32/26/355373226.db2.gz CHXWTUGISJAXNC-ZDUSSCGKSA-N 2 0 270.380 2.936 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCOCC1 ZINC000631195756 355342983 /nfs/dbraw/zinc/34/29/83/355342983.db2.gz JIORZVHPWUAILU-DOTOQJQBSA-N 2 0 288.435 2.523 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(c2cc(C)ncn2)CC1 ZINC000631450018 355441604 /nfs/dbraw/zinc/44/16/04/355441604.db2.gz RPSSFJSDJKRGJQ-UHFFFAOYSA-N 2 0 274.412 2.630 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCc2ncccc21)C[NH+]1CCCC1 ZINC000631570425 355493297 /nfs/dbraw/zinc/49/32/97/355493297.db2.gz VJKGTHHWKMMVAW-PBHICJAKSA-N 2 0 273.424 2.781 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000631583078 355501754 /nfs/dbraw/zinc/50/17/54/355501754.db2.gz VRZUOIBWWSJMTL-SUMWQHHRSA-N 2 0 274.408 2.614 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000631633262 355523745 /nfs/dbraw/zinc/52/37/45/355523745.db2.gz AQIZOYXZBZMVGD-ULQDDVLXSA-N 2 0 292.467 2.798 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000631643892 355529018 /nfs/dbraw/zinc/52/90/18/355529018.db2.gz JABKEFRLVMMZGC-HACGYAERSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888632 355615168 /nfs/dbraw/zinc/61/51/68/355615168.db2.gz YDKLCTUHSCHSJQ-TWMKSMIVSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000631811174 355592758 /nfs/dbraw/zinc/59/27/58/355592758.db2.gz SOEBUIDHTMVUMV-RANZSIQMSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)n1 ZINC000631823622 355595175 /nfs/dbraw/zinc/59/51/75/355595175.db2.gz JRYSKXNUJADFML-USXIJHARSA-N 2 0 273.424 2.566 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000631821628 355595758 /nfs/dbraw/zinc/59/57/58/355595758.db2.gz DNIZXZXQURCYNC-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c(C)cc(C)nc2C)CC[C@@H]1[NH3+] ZINC000631825059 355596472 /nfs/dbraw/zinc/59/64/72/355596472.db2.gz XTBGORJERXBVBZ-ZBFHGGJFSA-N 2 0 261.413 2.566 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c(C)cc(C)nc2C)CC[C@H]1[NH3+] ZINC000631825057 355596593 /nfs/dbraw/zinc/59/65/93/355596593.db2.gz XTBGORJERXBVBZ-GOEBONIOSA-N 2 0 261.413 2.566 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3c2CCOC3)C[C@H]1C[NH3+] ZINC000631828754 355597102 /nfs/dbraw/zinc/59/71/02/355597102.db2.gz XISVECFYPKAWAA-JKIFEVAISA-N 2 0 288.435 2.565 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc3c2CCOC3)[C@H]1CC[NH3+] ZINC000631828952 355597149 /nfs/dbraw/zinc/59/71/49/355597149.db2.gz CMUQGPLJUHXJBS-KSSFIOAISA-N 2 0 288.435 2.709 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000631827797 355597425 /nfs/dbraw/zinc/59/74/25/355597425.db2.gz WWAADJVMYGZDMJ-IAGOWNOFSA-N 2 0 287.451 2.828 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)n1 ZINC000631828562 355597702 /nfs/dbraw/zinc/59/77/02/355597702.db2.gz SDNUJWPOUNZISZ-WPGHFRTFSA-N 2 0 275.440 2.812 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631837093 355600264 /nfs/dbraw/zinc/60/02/64/355600264.db2.gz MUBWVVQDILZCTJ-CMPLNLGQSA-N 2 0 288.313 2.612 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837202 355600311 /nfs/dbraw/zinc/60/03/11/355600311.db2.gz ONMUUIGKTNQTDH-NQBHXWOUSA-N 2 0 252.789 2.928 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1C[NH3+] ZINC000631837834 355601922 /nfs/dbraw/zinc/60/19/22/355601922.db2.gz GAPXNTPPUIIBIW-GXFFZTMASA-N 2 0 254.324 2.651 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C[NH3+] ZINC000631839833 355602787 /nfs/dbraw/zinc/60/27/87/355602787.db2.gz LKQAXSDQVVIXGA-DGCLKSJQSA-N 2 0 289.810 2.915 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1C[NH3+] ZINC000631840192 355602887 /nfs/dbraw/zinc/60/28/87/355602887.db2.gz ADXUYCXNXCKIQY-VXGBXAGGSA-N 2 0 260.406 2.928 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CN1CCc1ccc2ccccc2c1 ZINC000631859497 355606312 /nfs/dbraw/zinc/60/63/12/355606312.db2.gz BBWKCPCYJJYSGF-GUYCJALGSA-N 2 0 254.377 2.804 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CN1CCSc1cccc(Cl)c1 ZINC000631861863 355608038 /nfs/dbraw/zinc/60/80/38/355608038.db2.gz JDQGQXPWRPEFAE-CMPLNLGQSA-N 2 0 270.829 2.854 20 0 CFADRP Cc1cc(C)c([C@@H](C)[NH+]2CCC([NH2+]CCO)CC2)c(C)c1 ZINC000631864090 355609081 /nfs/dbraw/zinc/60/90/81/355609081.db2.gz IDSCTNCMNPRHRX-MRXNPFEDSA-N 2 0 290.451 2.719 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873768 355611067 /nfs/dbraw/zinc/61/10/67/355611067.db2.gz VWOYGFFGLVTXCT-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887207 355614671 /nfs/dbraw/zinc/61/46/71/355614671.db2.gz PBDPCNCSJYMVDF-DOTOQJQBSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367929 540180145 /nfs/dbraw/zinc/18/01/45/540180145.db2.gz RYUHKNHEYMYXNV-GJZGRUSLSA-N 2 0 266.429 2.539 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423572618 283142252 /nfs/dbraw/zinc/14/22/52/283142252.db2.gz YKIHAZCOLZODTC-BZSNNMDCSA-N 2 0 287.451 2.554 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335918100 283170351 /nfs/dbraw/zinc/17/03/51/283170351.db2.gz GSJHCGOSVDFHGH-HOTGVXAUSA-N 2 0 278.440 2.506 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCC12CCCC2 ZINC000340237710 295923102 /nfs/dbraw/zinc/92/31/02/295923102.db2.gz DLXSBFNIJKNPRD-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)n1 ZINC000568075464 290522091 /nfs/dbraw/zinc/52/20/91/290522091.db2.gz YVSLEWPTPMGVHJ-OOJKYFRXSA-N 2 0 292.427 2.511 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073658 540281881 /nfs/dbraw/zinc/28/18/81/540281881.db2.gz COPYUUOTUZPCJB-HOTGVXAUSA-N 2 0 274.408 2.590 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072577 540281996 /nfs/dbraw/zinc/28/19/96/540281996.db2.gz YBIPZEMJNSTCQJ-IKGGRYGDSA-N 2 0 288.435 2.979 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000355222482 540297140 /nfs/dbraw/zinc/29/71/40/540297140.db2.gz NOFKGDMFRMAAEI-IAGOWNOFSA-N 2 0 288.435 2.920 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000355222483 540297179 /nfs/dbraw/zinc/29/71/79/540297179.db2.gz NOFKGDMFRMAAEI-IRXDYDNUSA-N 2 0 288.435 2.920 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000336625510 540290371 /nfs/dbraw/zinc/29/03/71/540290371.db2.gz BGQOTDCYUBJTNF-RHSMWYFYSA-N 2 0 274.408 2.832 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)C1CCCCC1 ZINC000583361952 325280774 /nfs/dbraw/zinc/28/07/74/325280774.db2.gz XETURABGMSFGTC-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000294529570 199074253 /nfs/dbraw/zinc/07/42/53/199074253.db2.gz ZVISEIFLAMNYQN-MAZHCROVSA-N 2 0 296.842 2.693 20 0 CFADRP C[N@@H+](Cc1nc2cc(F)ccc2o1)CC1CC[NH+](C)CC1 ZINC000151029193 540344244 /nfs/dbraw/zinc/34/42/44/540344244.db2.gz AEMUYIMGXPSDQU-UHFFFAOYSA-N 2 0 291.370 2.741 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000414219330 283321018 /nfs/dbraw/zinc/32/10/18/283321018.db2.gz AWJTYXGMRQRTGM-CJNGLKHVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000334873402 299271018 /nfs/dbraw/zinc/27/10/18/299271018.db2.gz JAEWNUSHLKFPDM-GJZGRUSLSA-N 2 0 280.456 2.704 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250869204 540373781 /nfs/dbraw/zinc/37/37/81/540373781.db2.gz XYFCGCPVLLHNQW-PMPSAXMXSA-N 2 0 256.393 2.543 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000681366364 540374426 /nfs/dbraw/zinc/37/44/26/540374426.db2.gz QLSMMUBCSYIXGR-SJORKVTESA-N 2 0 293.499 2.594 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294695014 199138041 /nfs/dbraw/zinc/13/80/41/199138041.db2.gz AVTBOSOZTIGCOZ-MQVJKMGUSA-N 2 0 262.372 2.849 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccccn2)CC1 ZINC000294782811 199180753 /nfs/dbraw/zinc/18/07/53/199180753.db2.gz LGCAZBYLSWWWIO-UHFFFAOYSA-N 2 0 275.440 2.823 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422819401 299277611 /nfs/dbraw/zinc/27/76/11/299277611.db2.gz IAJBCQLMIKKFDO-NSHDSACASA-N 2 0 266.816 2.815 20 0 CFADRP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000294867681 199222037 /nfs/dbraw/zinc/22/20/37/199222037.db2.gz DOFNXBRSVNLPFJ-ZWKOTPCHSA-N 2 0 290.451 2.518 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420294893 236604859 /nfs/dbraw/zinc/60/48/59/236604859.db2.gz BLOQRWXELLXZKX-HZPDHXFCSA-N 2 0 258.409 2.784 20 0 CFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1(C)CC1 ZINC000124748083 299282360 /nfs/dbraw/zinc/28/23/60/299282360.db2.gz VDKOOIBSSOJSEL-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000257726532 540431756 /nfs/dbraw/zinc/43/17/56/540431756.db2.gz WMGFUAAARSCILG-AWEZNQCLSA-N 2 0 250.411 2.632 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000304259423 283430889 /nfs/dbraw/zinc/43/08/89/283430889.db2.gz STJOLCPAHKMXDR-CYBMUJFWSA-N 2 0 283.213 2.765 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423178336 283433676 /nfs/dbraw/zinc/43/36/76/283433676.db2.gz BUZVOAAVACMUIT-ZDUSSCGKSA-N 2 0 283.213 2.765 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)C1CC[NH+](C)CC1 ZINC000152269104 540454838 /nfs/dbraw/zinc/45/48/38/540454838.db2.gz IYTLLWUMQBXYIJ-HNNXBMFYSA-N 2 0 298.434 2.692 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)[C@H]2CCCCO2)CC1 ZINC000678772609 540478752 /nfs/dbraw/zinc/47/87/52/540478752.db2.gz NHYHXXOKGPOADI-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422699973 237120565 /nfs/dbraw/zinc/12/05/65/237120565.db2.gz FQANUCJVMAZBMM-XMTFNYHQSA-N 2 0 294.483 2.828 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccoc1 ZINC000669689264 540492645 /nfs/dbraw/zinc/49/26/45/540492645.db2.gz MYLUKRDSIGPGGE-UHFFFAOYSA-N 2 0 293.455 2.518 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2C3CCCC2CCC3)CC1 ZINC000669690189 540493731 /nfs/dbraw/zinc/49/37/31/540493731.db2.gz FXJRGKQIPLFRKD-UHFFFAOYSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422729581 237143833 /nfs/dbraw/zinc/14/38/33/237143833.db2.gz KXYOYGXSQFENPI-XOKHGSTOSA-N 2 0 293.430 2.549 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422730847 237144085 /nfs/dbraw/zinc/14/40/85/237144085.db2.gz KNIYVPFTNFHYLN-MSOLQXFVSA-N 2 0 298.434 2.681 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422702567 237121540 /nfs/dbraw/zinc/12/15/40/237121540.db2.gz LBDYREPUWBJVGM-KBPBESRZSA-N 2 0 286.423 2.745 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C1CCCCC1 ZINC000422700029 237122123 /nfs/dbraw/zinc/12/21/23/237122123.db2.gz FVEWMRSMFUSUSD-OIISXLGYSA-N 2 0 282.472 2.828 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422704691 237124066 /nfs/dbraw/zinc/12/40/66/237124066.db2.gz AMAAFVPDDISIGC-ROUUACIJSA-N 2 0 290.451 2.885 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)c2ccccc21 ZINC000422703664 237126737 /nfs/dbraw/zinc/12/67/37/237126737.db2.gz NQXUNGRJURWDQR-IKGGRYGDSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422710177 237129052 /nfs/dbraw/zinc/12/90/52/237129052.db2.gz FAXCKFJULWKJTA-ZIAGYGMSSA-N 2 0 293.430 2.506 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718968 237135671 /nfs/dbraw/zinc/13/56/71/237135671.db2.gz QLFNWRYTYQJZQR-IAGOWNOFSA-N 3 0 281.488 2.892 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422718746 237135868 /nfs/dbraw/zinc/13/58/68/237135868.db2.gz PYEFHZXLEXKCKS-HUUCEWRRSA-N 2 0 282.815 2.968 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000669699572 540515553 /nfs/dbraw/zinc/51/55/53/540515553.db2.gz YIZZBTJWNCOWIL-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP c1cc(-c2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)ccn1 ZINC000422767921 237183084 /nfs/dbraw/zinc/18/30/84/237183084.db2.gz NGGFOYNEMGLZSG-UHFFFAOYSA-N 2 0 267.376 2.590 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000251464098 540537041 /nfs/dbraw/zinc/53/70/41/540537041.db2.gz AYAJGCHTZFGFNC-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422772704 237188890 /nfs/dbraw/zinc/18/88/90/237188890.db2.gz XODOEWBSQCBULC-JSGCOSHPSA-N 2 0 252.789 2.600 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746737 237163589 /nfs/dbraw/zinc/16/35/89/237163589.db2.gz XCWKUBAZLYUNAE-GHMZBOCLSA-N 2 0 269.458 2.699 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C1 ZINC000422751295 237167087 /nfs/dbraw/zinc/16/70/87/237167087.db2.gz BEZQFRDXVCYYOC-FMKPAKJESA-N 2 0 293.430 2.818 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250609829 540530491 /nfs/dbraw/zinc/53/04/91/540530491.db2.gz YSPVJUYLEUXUFF-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000422773701 237191764 /nfs/dbraw/zinc/19/17/64/237191764.db2.gz UQNKCALOYXNAHO-DZGCQCFKSA-N 2 0 264.438 2.756 20 0 CFADRP Clc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422761351 237175066 /nfs/dbraw/zinc/17/50/66/237175066.db2.gz LYZKZKJMDPECIJ-YIONKMFJSA-N 2 0 264.800 2.755 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000422760466 237175394 /nfs/dbraw/zinc/17/53/94/237175394.db2.gz LUJUDQPDHJNXQO-KKUMJFAQSA-N 2 0 264.413 2.555 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1 ZINC000422794860 237217652 /nfs/dbraw/zinc/21/76/52/237217652.db2.gz HBFZGTORVYRYKA-QJPTWQEYSA-N 2 0 270.804 2.823 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1[NH3+] ZINC000251713534 540549873 /nfs/dbraw/zinc/54/98/73/540549873.db2.gz JQSWTCLMJWYDGA-RHSMWYFYSA-N 2 0 258.409 2.735 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Oc1ccccc1F ZINC000422778418 237194748 /nfs/dbraw/zinc/19/47/48/237194748.db2.gz ANVKTQFRRKXBTK-VHDGCEQUSA-N 2 0 280.387 2.843 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422781155 237199520 /nfs/dbraw/zinc/19/95/20/237199520.db2.gz DTZWCJYGVATGCC-HZPDHXFCSA-N 3 0 289.467 2.888 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422782553 237202942 /nfs/dbraw/zinc/20/29/42/237202942.db2.gz GOZVSMPNKRUMNC-KBPBESRZSA-N 2 0 282.453 2.511 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422781686 237203275 /nfs/dbraw/zinc/20/32/75/237203275.db2.gz MHWPEEQYPRLDHI-XJKSGUPXSA-N 2 0 280.387 2.572 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422786170 237209168 /nfs/dbraw/zinc/20/91/68/237209168.db2.gz SHELUPZCNPHTCD-KMFMINBZSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccc(Cl)cc1 ZINC000422790975 237211489 /nfs/dbraw/zinc/21/14/89/237211489.db2.gz CPAIBFGYFBQQLV-NWDGAFQWSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Oc1cccc(F)c1 ZINC000422791108 237212048 /nfs/dbraw/zinc/21/20/48/237212048.db2.gz PXHPMYZYWIKQDC-UHOFOFEASA-N 2 0 280.387 2.843 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422792897 237216394 /nfs/dbraw/zinc/21/63/94/237216394.db2.gz ZZPYTVJPRRLHNB-XKQJLSEDSA-N 2 0 290.451 2.826 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000422818023 237246487 /nfs/dbraw/zinc/24/64/87/237246487.db2.gz JHJDQNQJXHYCHL-KBPBESRZSA-N 2 0 284.350 2.593 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422822306 237253290 /nfs/dbraw/zinc/25/32/90/237253290.db2.gz AODWSZWYRUKXMI-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252419523 540562288 /nfs/dbraw/zinc/56/22/88/540562288.db2.gz ZRSMBCNHYOGYIR-FUHWJXTLSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422827407 237254648 /nfs/dbraw/zinc/25/46/48/237254648.db2.gz DOGVAGNLYWYQNC-GDBMZVCRSA-N 2 0 290.455 2.548 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422829338 237256428 /nfs/dbraw/zinc/25/64/28/237256428.db2.gz HHRKQZWJUICYEC-ZWKOTPCHSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000422832658 237259611 /nfs/dbraw/zinc/25/96/11/237259611.db2.gz LINSNJTVBDEBJH-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836864 237262167 /nfs/dbraw/zinc/26/21/67/237262167.db2.gz KSGHTBKHRGJIQS-DUVNUKRYSA-N 2 0 293.842 2.636 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000252822250 540568760 /nfs/dbraw/zinc/56/87/60/540568760.db2.gz AKZWBLSKZUESLP-ZBFHGGJFSA-N 2 0 276.424 2.858 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000422811577 237237758 /nfs/dbraw/zinc/23/77/58/237237758.db2.gz PHCLNTKIAJLJLG-IAQYHMDHSA-N 2 0 279.428 2.560 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422814937 237240198 /nfs/dbraw/zinc/24/01/98/237240198.db2.gz WMWSMEWQXNVWHD-BRWVUGGUSA-N 2 0 294.483 2.830 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422854474 237276012 /nfs/dbraw/zinc/27/60/12/237276012.db2.gz AUDSBNUQSSIDDE-DOTOQJQBSA-N 2 0 276.424 2.742 20 0 CFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)CCC[NH3+] ZINC000422860471 237279240 /nfs/dbraw/zinc/27/92/40/237279240.db2.gz MLWKXEJRLOQWPZ-NSHDSACASA-N 2 0 297.830 2.694 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422862239 237282973 /nfs/dbraw/zinc/28/29/73/237282973.db2.gz PMHBZIAKKMMCLH-CRAIPNDOSA-N 2 0 298.434 2.522 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422872183 237291987 /nfs/dbraw/zinc/29/19/87/237291987.db2.gz GBSNRNZVPVQSGG-DZOHQFGASA-N 2 0 290.451 2.791 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422880074 237297782 /nfs/dbraw/zinc/29/77/82/237297782.db2.gz LOMOXBRDXSHALB-WDEREUQCSA-N 2 0 290.329 2.843 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000422841857 237268928 /nfs/dbraw/zinc/26/89/28/237268928.db2.gz WXJPRCWGGPKTPY-CHWSQXEVSA-N 2 0 284.407 2.526 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422850970 237272847 /nfs/dbraw/zinc/27/28/47/237272847.db2.gz WLZBRNCDTGYROM-MRXNPFEDSA-N 2 0 294.414 2.591 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000422881877 237302976 /nfs/dbraw/zinc/30/29/76/237302976.db2.gz ZKVLYOSDLSBJMI-LRDDRELGSA-N 2 0 289.423 2.943 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995670 540603796 /nfs/dbraw/zinc/60/37/96/540603796.db2.gz WBOQDOGLDCPJSQ-OCCSQVGLSA-N 2 0 264.438 2.943 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000422884760 237305778 /nfs/dbraw/zinc/30/57/78/237305778.db2.gz XJUOOUOEJOHPLI-ZDUSSCGKSA-N 2 0 273.380 2.949 20 0 CFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000422888504 237308661 /nfs/dbraw/zinc/30/86/61/237308661.db2.gz NBKQYXUUSBGDGC-OLZOCXBDSA-N 2 0 297.402 2.656 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])s1 ZINC000422892615 237315415 /nfs/dbraw/zinc/31/54/15/237315415.db2.gz YXWLSZXOUOMAIN-CHWSQXEVSA-N 2 0 267.442 2.552 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422905899 237329516 /nfs/dbraw/zinc/32/95/16/237329516.db2.gz ZSLMEKPXJSRDRP-JKSUJKDBSA-N 2 0 289.467 2.675 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422908150 237333756 /nfs/dbraw/zinc/33/37/56/237333756.db2.gz YGGYJBFOKURGEF-HOCLYGCPSA-N 2 0 258.409 2.744 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccsc2)CC1 ZINC000669937818 540621650 /nfs/dbraw/zinc/62/16/50/540621650.db2.gz UNTLGTCGHLIJKX-OAHLLOKOSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000422926335 237357612 /nfs/dbraw/zinc/35/76/12/237357612.db2.gz WMGRQBPCYBACBA-QJPTWQEYSA-N 2 0 270.804 2.823 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000422925552 237357638 /nfs/dbraw/zinc/35/76/38/237357638.db2.gz AZZWTFDRWDCKBS-KCQAQPDRSA-N 2 0 292.423 2.743 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1ccccc1Cl ZINC000422923809 237358503 /nfs/dbraw/zinc/35/85/03/237358503.db2.gz SPHDEGWDTZVGAC-DYEKYZERSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(O)cc2)C1 ZINC000679393213 540632162 /nfs/dbraw/zinc/63/21/62/540632162.db2.gz HXANSPKJEFTEDY-OAHLLOKOSA-N 2 0 276.424 2.994 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000513204913 540632667 /nfs/dbraw/zinc/63/26/67/540632667.db2.gz XHBHJOGBNGCKKA-IASZTOCISA-N 2 0 292.467 2.939 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422936704 237368856 /nfs/dbraw/zinc/36/88/56/237368856.db2.gz FSSBFEZMOGXXEP-GJZGRUSLSA-N 2 0 282.815 2.968 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422938702 237369437 /nfs/dbraw/zinc/36/94/37/237369437.db2.gz DZWZEXPEMUVADY-MAZHCROVSA-N 2 0 296.842 2.615 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422945657 237374851 /nfs/dbraw/zinc/37/48/51/237374851.db2.gz NPCDNKOUBWQHNF-UONOGXRCSA-N 2 0 252.789 2.742 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422940075 237371795 /nfs/dbraw/zinc/37/17/95/237371795.db2.gz INUBMRFMWPOFLA-HOTGVXAUSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000422940023 237372545 /nfs/dbraw/zinc/37/25/45/237372545.db2.gz MWYZMYMZYYNYFE-JGVFFNPUSA-N 2 0 277.231 2.726 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000422916919 237346504 /nfs/dbraw/zinc/34/65/04/237346504.db2.gz BXQMMADCKXZYMZ-MORSLUCNSA-N 2 0 284.403 2.682 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422920004 237348566 /nfs/dbraw/zinc/34/85/66/237348566.db2.gz LLYQKDYWKQLYOJ-HONMWMINSA-N 2 0 268.788 2.577 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422969646 237399496 /nfs/dbraw/zinc/39/94/96/237399496.db2.gz VAIBZQZGPGSDGF-MWQQHZPXSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccc1O ZINC000422974220 237403482 /nfs/dbraw/zinc/40/34/82/237403482.db2.gz QNQZHTFPMYQRKQ-ZBFHGGJFSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422950656 237383095 /nfs/dbraw/zinc/38/30/95/237383095.db2.gz WJUUERHVVMUCPN-JKDFXYPNSA-N 2 0 290.407 2.624 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422951520 237384129 /nfs/dbraw/zinc/38/41/29/237384129.db2.gz YWGOEPPLQLIAAT-HNNXBMFYSA-N 2 0 264.413 2.789 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950571 237384465 /nfs/dbraw/zinc/38/44/65/237384465.db2.gz YJXZJZHCGRRDSC-UWVGGRQHSA-N 2 0 258.312 2.503 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cccc(F)c2F)CC1 ZINC000422956805 237387773 /nfs/dbraw/zinc/38/77/73/237387773.db2.gz MBMGPCRGHHHPNZ-UHFFFAOYSA-N 2 0 268.351 2.614 20 0 CFADRP Cn1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(C(C)(C)C)n1 ZINC000297454513 200196078 /nfs/dbraw/zinc/19/60/78/200196078.db2.gz HNTVJSGEQORILY-UHFFFAOYSA-N 2 0 297.406 2.655 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449224464 299296968 /nfs/dbraw/zinc/29/69/68/299296968.db2.gz LOSQIZZKGMQIJU-SOLBZPMBSA-N 2 0 295.515 2.817 20 0 CFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423019080 237445831 /nfs/dbraw/zinc/44/58/31/237445831.db2.gz TWPIAVFCRQGIRP-GRDNDAEWSA-N 2 0 294.439 2.878 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000297503379 200212537 /nfs/dbraw/zinc/21/25/37/200212537.db2.gz UFEZCZDMGOPTEC-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423035063 237466552 /nfs/dbraw/zinc/46/65/52/237466552.db2.gz YLHSYPAJGVVPLL-XUJVJEKNSA-N 2 0 268.376 2.619 20 0 CFADRP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297534015 200221641 /nfs/dbraw/zinc/22/16/41/200221641.db2.gz WCAJOTMCLOXFOS-SJLPKXTDSA-N 2 0 288.435 2.744 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)CCC[NH3+])cn(C)c2c1 ZINC000423058655 237488418 /nfs/dbraw/zinc/48/84/18/237488418.db2.gz JZQSADZMCWXZAW-CQSZACIVSA-N 2 0 273.424 2.746 20 0 CFADRP CSC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCC1 ZINC000297614831 200242202 /nfs/dbraw/zinc/24/22/02/200242202.db2.gz VJURWJSHNLAION-UHFFFAOYSA-N 2 0 261.394 2.710 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](CC)CO1 ZINC000403845614 540674520 /nfs/dbraw/zinc/67/45/20/540674520.db2.gz QPVXXMFAQWJSGS-IRXDYDNUSA-N 2 0 288.435 2.722 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000470000885 283503662 /nfs/dbraw/zinc/50/36/62/283503662.db2.gz SZDPNMAKHKJDJJ-CQSZACIVSA-N 2 0 276.424 2.730 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000298224807 200365858 /nfs/dbraw/zinc/36/58/58/200365858.db2.gz UUATUTRKAYHQPX-IRXDYDNUSA-N 2 0 276.424 2.574 20 0 CFADRP C[C@@H]1C[C@H](N[C@H](c2cnn(C)c2)c2ccccc2)CC[N@@H+]1C ZINC000346881772 540692846 /nfs/dbraw/zinc/69/28/46/540692846.db2.gz XSMOIUNLKWXWEJ-OLMNPRSZSA-N 2 0 298.434 2.582 20 0 CFADRP C[NH2+]CCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000435872280 240362630 /nfs/dbraw/zinc/36/26/30/240362630.db2.gz NTZDEEIIDNQXBF-UHFFFAOYSA-N 2 0 250.361 2.794 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCCC1 ZINC000177081510 189027587 /nfs/dbraw/zinc/02/75/87/189027587.db2.gz BXQCNXLOPGKRGN-UHFFFAOYSA-N 2 0 270.380 2.889 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411337273 540781003 /nfs/dbraw/zinc/78/10/03/540781003.db2.gz VAOKCYAMQXVLQQ-DJIMGWMZSA-N 2 0 258.409 2.816 20 0 CFADRP c1ccc([C@H]2C[C@H]2[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000411280770 540780136 /nfs/dbraw/zinc/78/01/36/540780136.db2.gz GAOOYOTZFFCBRC-CGTJXYLNSA-N 2 0 270.420 2.960 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3ccccc3)CC[C@@H]21 ZINC000178634033 189133130 /nfs/dbraw/zinc/13/31/30/189133130.db2.gz PPQSWZGPKZNZLO-WMZOPIPTSA-N 2 0 288.435 2.872 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3ccccc3)CC[C@@H]21 ZINC000178634047 189133424 /nfs/dbraw/zinc/13/34/24/189133424.db2.gz PPQSWZGPKZNZLO-AEFFLSMTSA-N 2 0 288.435 2.872 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422818561 283575851 /nfs/dbraw/zinc/57/58/51/283575851.db2.gz KSQJSXNWWJBAGY-KKOKHZNYSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000423460231 283581859 /nfs/dbraw/zinc/58/18/59/283581859.db2.gz MCTSAYWIGZAZPK-OZVIIMIRSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000423459951 283582354 /nfs/dbraw/zinc/58/23/54/283582354.db2.gz ALUWNELQLMPSSN-ZENOOKHLSA-N 2 0 274.408 2.877 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c2O1 ZINC000414923244 540830272 /nfs/dbraw/zinc/83/02/72/540830272.db2.gz IBVNVYSYTGJJJP-CABCVRRESA-N 2 0 274.408 2.760 20 0 CFADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423103791 238201845 /nfs/dbraw/zinc/20/18/45/238201845.db2.gz GPLJGZIGWVEHMX-YYHQMBLXSA-N 2 0 258.356 2.540 20 0 CFADRP C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)[C@@H]1CCCC[NH2+]1 ZINC000423103931 238201902 /nfs/dbraw/zinc/20/19/02/238201902.db2.gz AXRAJRCIYIMJOQ-CJNGLKHVSA-N 2 0 271.408 2.831 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)c2ccccc21 ZINC000423121460 238212147 /nfs/dbraw/zinc/21/21/47/238212147.db2.gz IJAJZDANMRDTQS-UWWPHRKUSA-N 2 0 274.408 2.520 20 0 CFADRP FC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423122585 238212262 /nfs/dbraw/zinc/21/22/62/238212262.db2.gz KBYKBPAQYOQMQI-BFHYXJOUSA-N 2 0 254.393 2.779 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179137861 189172795 /nfs/dbraw/zinc/17/27/95/189172795.db2.gz HVSDRBQTMRFERL-TZMCWYRMSA-N 2 0 299.846 2.742 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OC ZINC000414925769 540831060 /nfs/dbraw/zinc/83/10/60/540831060.db2.gz MBSAPYDYUMULSZ-NEPJUHHUSA-N 2 0 298.814 2.717 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000414925774 540831482 /nfs/dbraw/zinc/83/14/82/540831482.db2.gz MCLBOAIIKUVFKS-NWDGAFQWSA-N 2 0 256.752 2.839 20 0 CFADRP FC(F)[C@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423103788 238202425 /nfs/dbraw/zinc/20/24/25/238202425.db2.gz GPLJGZIGWVEHMX-MLGHIDQZSA-N 2 0 258.356 2.540 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101669 238202893 /nfs/dbraw/zinc/20/28/93/238202893.db2.gz WGKHATSBPLBUNT-NLRBGTRBSA-N 2 0 250.361 2.787 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423109259 238204551 /nfs/dbraw/zinc/20/45/51/238204551.db2.gz URLOMIQGOOWLJG-QBYUYEEZSA-N 2 0 258.409 2.958 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423114051 238207177 /nfs/dbraw/zinc/20/71/77/238207177.db2.gz ZUMNRCCAMYZLFY-ZOWXZIJZSA-N 2 0 283.847 2.658 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423115306 238207211 /nfs/dbraw/zinc/20/72/11/238207211.db2.gz XTGZOXMAKBIKMU-NXEZZACHSA-N 2 0 250.308 2.579 20 0 CFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423113880 238208761 /nfs/dbraw/zinc/20/87/61/238208761.db2.gz UVMQZYNIUDHHRR-MOIQIXESSA-N 2 0 288.435 2.535 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000684370504 540837712 /nfs/dbraw/zinc/83/77/12/540837712.db2.gz WMCPOBBEZUISQU-WCXIOVBPSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000423142564 238227797 /nfs/dbraw/zinc/22/77/97/238227797.db2.gz AOGFNSPIWZENPS-YQQAZPJKSA-N 2 0 258.409 2.824 20 0 CFADRP COCc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000179200801 189176875 /nfs/dbraw/zinc/17/68/75/189176875.db2.gz CNXMZALIYLYWDG-UHFFFAOYSA-N 2 0 290.451 2.997 20 0 CFADRP COCc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000179222092 189178846 /nfs/dbraw/zinc/17/88/46/189178846.db2.gz DOIRWBFUNIKDTL-KRWDZBQOSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(C)(C)C ZINC000670265682 540846916 /nfs/dbraw/zinc/84/69/16/540846916.db2.gz RQXHMLKSGVVLPQ-QKPAOTATSA-N 2 0 282.472 2.852 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2)c1 ZINC000423154547 238240313 /nfs/dbraw/zinc/24/03/13/238240313.db2.gz JQDVXSCMHPPGEG-NEBZKDRISA-N 2 0 262.397 2.657 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)c1OC ZINC000423132442 238222240 /nfs/dbraw/zinc/22/22/40/238222240.db2.gz UOXUXAMHOPQBBH-GVXVVHGQSA-N 2 0 280.412 2.789 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000423134979 238224702 /nfs/dbraw/zinc/22/47/02/238224702.db2.gz XJSOSCJSSAUGFV-NSHDSACASA-N 2 0 265.376 2.782 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423172876 238252291 /nfs/dbraw/zinc/25/22/91/238252291.db2.gz VURNXNZLFZRMQR-DLKVLKDVSA-N 2 0 262.372 2.659 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH3+])c2ccccc12 ZINC000423176636 238255779 /nfs/dbraw/zinc/25/57/79/238255779.db2.gz HLMXDVOTYFXNHI-GFCCVEGCSA-N 2 0 258.365 2.848 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423163560 238246081 /nfs/dbraw/zinc/24/60/81/238246081.db2.gz MSVPDSNWOMQGIQ-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)ccc1SC ZINC000423195735 238268209 /nfs/dbraw/zinc/26/82/09/238268209.db2.gz ZWDWESDORHPLKD-NSHDSACASA-N 2 0 280.437 2.820 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nccc2ccccc21 ZINC000423206567 238276462 /nfs/dbraw/zinc/27/64/62/238276462.db2.gz GDOVQMKCEYLJSC-KGLIPLIRSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423206051 238276851 /nfs/dbraw/zinc/27/68/51/238276851.db2.gz FRDQHDWVSDBFIV-OTRWWLKZSA-N 2 0 258.409 2.768 20 0 CFADRP COC[C@H]([NH2+]CC1([NH3+])CCCCCC1)C1CCCC1 ZINC000423208039 238279472 /nfs/dbraw/zinc/27/94/72/238279472.db2.gz YLDCAOLZPYTXMY-HNNXBMFYSA-N 2 0 268.445 2.833 20 0 CFADRP Cc1cc([C@H]([NH2+]CC[C@H](C)[NH3+])C2CC2)ccc1F ZINC000423228258 238290655 /nfs/dbraw/zinc/29/06/55/238290655.db2.gz YXSOSORHASQMDH-XHDPSFHLSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423240222 238300259 /nfs/dbraw/zinc/30/02/59/238300259.db2.gz XDYBILQDRSEJRF-UWVGGRQHSA-N 2 0 258.312 2.676 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423214778 238283193 /nfs/dbraw/zinc/28/31/93/238283193.db2.gz NCHURJWVFFZLSO-HAFAELMMSA-N 2 0 274.383 2.932 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423218686 238285643 /nfs/dbraw/zinc/28/56/43/238285643.db2.gz VTBGWZYEJONEHJ-LSDHHAIUSA-N 2 0 298.434 2.737 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423248289 238305709 /nfs/dbraw/zinc/30/57/09/238305709.db2.gz MVQUVXPPAKAXPH-QAPCUYQASA-N 2 0 272.436 2.905 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254484 238310523 /nfs/dbraw/zinc/31/05/23/238310523.db2.gz YEJAMGGWCBIKLH-CHWSQXEVSA-N 2 0 282.378 2.875 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCc2cccnc2)CC1 ZINC000179700341 189214527 /nfs/dbraw/zinc/21/45/27/189214527.db2.gz NTODZKJRMZEWTI-UHFFFAOYSA-N 2 0 275.440 2.678 20 0 CFADRP COc1ccc(C[NH+](C)C)cc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155889788 540909491 /nfs/dbraw/zinc/90/94/91/540909491.db2.gz WNUDPTHOFFBNIK-UKRRQHHQSA-N 2 0 291.439 2.651 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ncc[nH]1 ZINC000353436517 540910680 /nfs/dbraw/zinc/91/06/80/540910680.db2.gz CHEXZHAZVSADNG-QLFBSQMISA-N 2 0 278.444 2.818 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1C ZINC000423262505 238317115 /nfs/dbraw/zinc/31/71/15/238317115.db2.gz VNOOWBWHEAWZBK-WFASDCNBSA-N 2 0 278.444 2.560 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423260809 238317619 /nfs/dbraw/zinc/31/76/19/238317619.db2.gz QTZFLRFBGXBHDX-NEPJUHHUSA-N 2 0 268.426 2.797 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)N(C)c2ccccc2)CC1 ZINC000156124236 540917425 /nfs/dbraw/zinc/91/74/25/540917425.db2.gz XRGLPFOFTZMVKA-MRXNPFEDSA-N 2 0 289.467 2.975 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000156528252 540932857 /nfs/dbraw/zinc/93/28/57/540932857.db2.gz ANHVLOOATCGIQE-HIFRSBDPSA-N 2 0 280.412 2.595 20 0 CFADRP Fc1cncc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423276141 238332632 /nfs/dbraw/zinc/33/26/32/238332632.db2.gz OEGNDGNSNTUQCQ-MLGOLLRUSA-N 2 0 277.387 2.651 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423308525 238365415 /nfs/dbraw/zinc/36/54/15/238365415.db2.gz OQSRXHZHPBTWPX-ABAIWWIYSA-N 2 0 266.816 2.846 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000423313675 238367271 /nfs/dbraw/zinc/36/72/71/238367271.db2.gz GAYICOWCAFTEKV-IAGOWNOFSA-N 2 0 258.409 2.643 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423285781 238346202 /nfs/dbraw/zinc/34/62/02/238346202.db2.gz YQZOTEHYPFERCV-OKYOBFRVSA-N 2 0 299.462 2.509 20 0 CFADRP CC[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H]1C ZINC000666086624 540955258 /nfs/dbraw/zinc/95/52/58/540955258.db2.gz LHXHXGGTFCIEIY-OLMNPRSZSA-N 2 0 293.499 2.569 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423292470 238350928 /nfs/dbraw/zinc/35/09/28/238350928.db2.gz NDRARJUKWVWUCG-CHWSQXEVSA-N 2 0 250.386 2.611 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000423292249 238351972 /nfs/dbraw/zinc/35/19/72/238351972.db2.gz METYXLVDNNQOSY-OLZOCXBDSA-N 2 0 255.365 2.952 20 0 CFADRP C[C@H]([NH2+]CCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC000156995665 540941639 /nfs/dbraw/zinc/94/16/39/540941639.db2.gz BWKMQPHLCGGREL-HNNXBMFYSA-N 2 0 276.424 2.523 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423303074 238358361 /nfs/dbraw/zinc/35/83/61/238358361.db2.gz WMNNLSPUISEYHS-MNOVXSKESA-N 2 0 290.436 2.759 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423301509 238358600 /nfs/dbraw/zinc/35/86/00/238358600.db2.gz UBHPFIBNNGWKNR-QMTHXVAHSA-N 2 0 252.789 2.976 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423325070 238377869 /nfs/dbraw/zinc/37/78/69/238377869.db2.gz PYDLBQGEIUCMAT-JMSVASOKSA-N 2 0 292.423 2.523 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000180234136 189244908 /nfs/dbraw/zinc/24/49/08/189244908.db2.gz TWNQPYATIGJBME-HNNXBMFYSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@]1(C[NH2+]C(C2CCC2)C2CCC2)CCC[NH2+]C1 ZINC000423330761 238383499 /nfs/dbraw/zinc/38/34/99/238383499.db2.gz GFMOQHLTFNLANC-INIZCTEOSA-N 2 0 250.430 2.935 20 0 CFADRP Clc1cccc([C@H]2CC[C@@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423331752 238383923 /nfs/dbraw/zinc/38/39/23/238383923.db2.gz UVAYVCGDECEGSH-DZGCQCFKSA-N 2 0 264.800 2.785 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)o1 ZINC000423334724 238384898 /nfs/dbraw/zinc/38/48/98/238384898.db2.gz RCUSGIAGFAZUSZ-GFCCVEGCSA-N 2 0 250.386 2.937 20 0 CFADRP COCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000532036981 540977348 /nfs/dbraw/zinc/97/73/48/540977348.db2.gz JCGSTQGCPVEQRR-IRXDYDNUSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC000423334333 238386113 /nfs/dbraw/zinc/38/61/13/238386113.db2.gz SRFZWBCBIPKEIX-HUUCEWRRSA-N 2 0 261.413 2.745 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337082 238388971 /nfs/dbraw/zinc/38/89/71/238388971.db2.gz HFEFULOMWPTGNZ-AWEZNQCLSA-N 2 0 296.418 2.751 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000157898368 540963042 /nfs/dbraw/zinc/96/30/42/540963042.db2.gz PNQZTSRJFGZEIF-SJORKVTESA-N 3 0 295.515 2.961 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000423319240 238372238 /nfs/dbraw/zinc/37/22/38/238372238.db2.gz DJFXVAYPZGGDNW-LLVKDONJSA-N 2 0 297.830 2.784 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)oc1C ZINC000423320071 238372888 /nfs/dbraw/zinc/37/28/88/238372888.db2.gz FBNPKHCZONSVFZ-GFCCVEGCSA-N 2 0 250.386 2.937 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423324380 238374471 /nfs/dbraw/zinc/37/44/71/238374471.db2.gz PGMXVFXNRFTKAS-IRXDYDNUSA-N 2 0 260.425 2.889 20 0 CFADRP CC[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000666120652 540999936 /nfs/dbraw/zinc/99/99/36/540999936.db2.gz UABQAIZTZDBAEN-KFWWJZLASA-N 2 0 288.439 2.680 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340243 238390294 /nfs/dbraw/zinc/39/02/94/238390294.db2.gz VSVGJSIIIWPRJC-NSHDSACASA-N 2 0 268.426 2.797 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423345961 238396411 /nfs/dbraw/zinc/39/64/11/238396411.db2.gz OSWQTASHFXKNGV-VIFPVBQESA-N 2 0 270.298 2.674 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(C)s2)CC[NH2+]CC1 ZINC000423390714 238433056 /nfs/dbraw/zinc/43/30/56/238433056.db2.gz MRNUVOVJFSBXKK-CYBMUJFWSA-N 2 0 282.453 2.723 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423458832 238467739 /nfs/dbraw/zinc/46/77/39/238467739.db2.gz KKFIEGNHKIOWKH-BZMCYJOASA-N 2 0 292.467 2.687 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313042687 541037890 /nfs/dbraw/zinc/03/78/90/541037890.db2.gz YJEWRGPKGVAROW-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000312227336 541030960 /nfs/dbraw/zinc/03/09/60/541030960.db2.gz DNSOYSYIENMUNB-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423480533 238484315 /nfs/dbraw/zinc/48/43/15/238484315.db2.gz NKCAMKFQPZNGQZ-ZFWWWQNUSA-N 2 0 292.423 2.887 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000671744406 541064193 /nfs/dbraw/zinc/06/41/93/541064193.db2.gz FUONLJDNDNLDRF-NSHDSACASA-N 2 0 277.368 2.526 20 0 CFADRP C[NH+]1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000301746486 201171992 /nfs/dbraw/zinc/17/19/92/201171992.db2.gz YENAGPBVMVGMOK-UHFFFAOYSA-N 2 0 259.328 2.880 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000184345431 189383536 /nfs/dbraw/zinc/38/35/36/189383536.db2.gz PXZYPSGGHZILKT-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2cccc(F)c2)[C@H](C)C1 ZINC000184462473 189386794 /nfs/dbraw/zinc/38/67/94/189386794.db2.gz TYYMIDMNSAOHKM-PBHICJAKSA-N 2 0 293.430 2.948 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000666436858 541095406 /nfs/dbraw/zinc/09/54/06/541095406.db2.gz GDSUGXYQEYQENY-IAGOWNOFSA-N 2 0 294.414 2.997 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000666620217 541122073 /nfs/dbraw/zinc/12/20/73/541122073.db2.gz HOGGLOCTFVBYBW-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2cnccc2c1)[C@H]1CCC[NH2+]C1 ZINC000666774594 541143287 /nfs/dbraw/zinc/14/32/87/541143287.db2.gz DENWZKXMLVIQOT-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP [NH3+][C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000666787331 541143871 /nfs/dbraw/zinc/14/38/71/541143871.db2.gz GOFSXMLJQSZXGJ-IPMKNSEASA-N 2 0 295.430 2.769 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C1CC[NH+](C)CC1 ZINC000671770864 541146849 /nfs/dbraw/zinc/14/68/49/541146849.db2.gz NVMWZUBAYNOSBJ-MNOVXSKESA-N 2 0 283.366 2.741 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858140 541153791 /nfs/dbraw/zinc/15/37/91/541153791.db2.gz ZOFVTBBTQRAGKF-IAGOWNOFSA-N 2 0 294.414 2.505 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950862 541165325 /nfs/dbraw/zinc/16/53/25/541165325.db2.gz NYLSTVWQTRVSDM-MRXNPFEDSA-N 2 0 274.408 2.706 20 0 CFADRP Clc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950704 541165539 /nfs/dbraw/zinc/16/55/39/541165539.db2.gz BPYGFHPBXZIWJO-ZDUSSCGKSA-N 2 0 250.773 2.572 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952518 541166053 /nfs/dbraw/zinc/16/60/53/541166053.db2.gz ZHBWDFQNLQAUNM-MRXNPFEDSA-N 2 0 296.418 2.617 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000666952486 541166083 /nfs/dbraw/zinc/16/60/83/541166083.db2.gz YLUYKNWHVCITCC-CYBMUJFWSA-N 2 0 250.411 2.597 20 0 CFADRP c1sc(C2CC2)nc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998555 541172195 /nfs/dbraw/zinc/17/21/95/541172195.db2.gz ZZWGPGXFQOMIHD-GFCCVEGCSA-N 2 0 277.437 2.785 20 0 CFADRP c1sc(C2CC2)nc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998556 541172393 /nfs/dbraw/zinc/17/23/93/541172393.db2.gz ZZWGPGXFQOMIHD-LBPRGKRZSA-N 2 0 277.437 2.785 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1ccccc1F)C[NH+](C)C ZINC000425943832 239143196 /nfs/dbraw/zinc/14/31/96/239143196.db2.gz KATPEEYGACVZLV-KGLIPLIRSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)C[NH+](C)C ZINC000425955372 239144867 /nfs/dbraw/zinc/14/48/67/239144867.db2.gz ZESJSOLRSBKHJY-WBMJQRKESA-N 2 0 264.388 2.990 20 0 CFADRP C[C@H]1CC[N@H+](Cc2nccc3ccccc32)C[C@@H]1C[NH3+] ZINC000667039175 541177958 /nfs/dbraw/zinc/17/79/58/541177958.db2.gz KECUNKRJLXWAFR-ZFWWWQNUSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C[C@@H]1C[NH3+] ZINC000667040055 541178546 /nfs/dbraw/zinc/17/85/46/541178546.db2.gz WUHDHFWPUONJSP-GUYCJALGSA-N 2 0 269.392 2.652 20 0 CFADRP CCN(C(=O)Nc1c(C)ccnc1C)[C@H]1CC[N@H+](CC)C1 ZINC000667062455 541181017 /nfs/dbraw/zinc/18/10/17/541181017.db2.gz FKASGXHBAMJXNA-AWEZNQCLSA-N 2 0 290.411 2.646 20 0 CFADRP COCC(C)(C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000426409040 239220318 /nfs/dbraw/zinc/22/03/18/239220318.db2.gz FTLVEOYADZZHAZ-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CC1 ZINC000667500597 541245802 /nfs/dbraw/zinc/24/58/02/541245802.db2.gz VABAXLDLOVDPHF-UHFFFAOYSA-N 2 0 256.353 2.642 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccc(F)cc1 ZINC000427123824 239284294 /nfs/dbraw/zinc/28/42/94/239284294.db2.gz ZQYWBIHCRXBUTK-XNRPHZJLSA-N 2 0 262.372 2.613 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667787001 541314025 /nfs/dbraw/zinc/31/40/25/541314025.db2.gz GRMFIMQDQPAPFR-PVAVHDDUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667853608 541328718 /nfs/dbraw/zinc/32/87/18/541328718.db2.gz IJVOYMSIUIUQSV-LVQVYYBASA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)C(C)(C)C ZINC000667864738 541330870 /nfs/dbraw/zinc/33/08/70/541330870.db2.gz IARRXMLPVPYKSS-KKUMJFAQSA-N 2 0 268.445 2.510 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)ccc1F ZINC000667870129 541331714 /nfs/dbraw/zinc/33/17/14/541331714.db2.gz ONAXTUQMCOQYAH-WBVHZDCISA-N 2 0 292.398 2.544 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667880161 541334191 /nfs/dbraw/zinc/33/41/91/541334191.db2.gz KEQQRTMGZHBQQO-OWCLPIDISA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667912973 541341120 /nfs/dbraw/zinc/34/11/20/541341120.db2.gz TWJRFDNIWRPADM-OIISXLGYSA-N 2 0 280.456 2.512 20 0 CFADRP COc1ccc(OCCC[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430952445 239829973 /nfs/dbraw/zinc/82/99/73/239829973.db2.gz YXQJTEJYHNMEDG-CQSZACIVSA-N 2 0 292.423 2.523 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668075238 541378790 /nfs/dbraw/zinc/37/87/90/541378790.db2.gz MZGOBHWOBHAEQB-MRXNPFEDSA-N 2 0 277.412 2.610 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000432414725 240002081 /nfs/dbraw/zinc/00/20/81/240002081.db2.gz AOLCDQOHLKCZJC-HRSCSKTISA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3CC(O)C3)CC2)C1 ZINC000432411473 240002268 /nfs/dbraw/zinc/00/22/68/240002268.db2.gz YMWURJQQLVELFD-JWFMREHNSA-N 2 0 294.483 2.780 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000432865894 240060668 /nfs/dbraw/zinc/06/06/68/240060668.db2.gz JPYOGLHYIRYSHG-QGZVFWFLSA-N 2 0 284.488 2.837 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000433321124 240144730 /nfs/dbraw/zinc/14/47/30/240144730.db2.gz MZCYOSLTLMEDBI-UHFFFAOYSA-N 2 0 293.358 2.593 20 0 CFADRP CC1(C)CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000433243185 240134286 /nfs/dbraw/zinc/13/42/86/240134286.db2.gz RUYWPMDNCFBERA-QGZVFWFLSA-N 2 0 288.435 2.531 20 0 CFADRP C[NH2+]C1CC[NH+](C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000435370285 240307082 /nfs/dbraw/zinc/30/70/82/240307082.db2.gz IHOSGOVUPMDDPH-ZDUSSCGKSA-N 2 0 294.414 2.697 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000435372799 240307539 /nfs/dbraw/zinc/30/75/39/240307539.db2.gz SPBSNFMPLIIATE-OCCSQVGLSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000435375380 240308232 /nfs/dbraw/zinc/30/82/32/240308232.db2.gz USYITARMCHYYPW-CYBMUJFWSA-N 2 0 288.435 2.959 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000220340586 189722626 /nfs/dbraw/zinc/72/26/26/189722626.db2.gz KXASHQQOSCNFEP-JQWIXIFHSA-N 2 0 288.313 2.754 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000442922764 241021686 /nfs/dbraw/zinc/02/16/86/241021686.db2.gz KVSWDSKQGGVJGV-KZTTYJGESA-N 2 0 262.372 2.900 20 0 CFADRP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000446884634 241333899 /nfs/dbraw/zinc/33/38/99/241333899.db2.gz PTCOYQALIBZYNO-UHFFFAOYSA-N 2 0 290.455 2.602 20 0 CFADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)o1 ZINC000446882981 241334472 /nfs/dbraw/zinc/33/44/72/241334472.db2.gz DCORCYQJWKYHOJ-UHFFFAOYSA-N 2 0 268.788 2.897 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1C(C)(C)C1(C)C ZINC000446966037 241343378 /nfs/dbraw/zinc/34/33/78/241343378.db2.gz MHBXHLLZAUPANE-OAHLLOKOSA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2occc21 ZINC000447590149 241389965 /nfs/dbraw/zinc/38/99/65/241389965.db2.gz AIEMKFVVFDPLFX-OAHLLOKOSA-N 2 0 280.412 2.605 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(C)o1 ZINC000447604942 241393886 /nfs/dbraw/zinc/39/38/86/241393886.db2.gz FDSNMEKTBFOXSJ-HIFRSBDPSA-N 2 0 293.455 2.573 20 0 CFADRP C(C[NH+]1CCC[C@H]1C1CC1)OCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000674233679 541548695 /nfs/dbraw/zinc/54/86/95/541548695.db2.gz NARKSPVGTKTBHP-ROUUACIJSA-N 2 0 292.467 2.752 20 0 CFADRP CCc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000449529232 242005183 /nfs/dbraw/zinc/00/51/83/242005183.db2.gz VQOGGRIOKVGWSO-UHFFFAOYSA-N 2 0 263.429 2.854 20 0 CFADRP Cc1cccn2c(C[NH2+]C(C)(C)CCC[NH+](C)C)cnc12 ZINC000449529472 242007541 /nfs/dbraw/zinc/00/75/41/242007541.db2.gz XJWHXDFYURCTDN-UHFFFAOYSA-N 2 0 288.439 2.853 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000449736629 242125006 /nfs/dbraw/zinc/12/50/06/242125006.db2.gz NJGWICJGUWAWPR-DZJNRPSUSA-N 2 0 288.435 2.573 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC[NH2+]C1 ZINC000414898139 291390578 /nfs/dbraw/zinc/39/05/78/291390578.db2.gz AQZORSGVICCFSD-OAGGEKHMSA-N 2 0 250.430 2.935 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(C)(C)C)C[C@@H]1C ZINC000674909504 541605866 /nfs/dbraw/zinc/60/58/66/541605866.db2.gz QLQRZGJAPCXVMR-LSDHHAIUSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@@H](C)O)CC1 ZINC000450708685 242554653 /nfs/dbraw/zinc/55/46/53/242554653.db2.gz ARKDJFUTXRZZDM-OAHLLOKOSA-N 2 0 270.461 2.591 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879785 296121506 /nfs/dbraw/zinc/12/15/06/296121506.db2.gz LESDPNCVAWXFSZ-GVDBMIGSSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2nc3ccccc3s2)CC[N@@H+]1C ZINC000675732705 541685961 /nfs/dbraw/zinc/68/59/61/541685961.db2.gz DVTHPCPXYWUOJN-OLZOCXBDSA-N 2 0 289.448 2.911 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC[C@@H]1C ZINC000675746644 541687672 /nfs/dbraw/zinc/68/76/72/541687672.db2.gz PAAFATHRNBFLKV-JYJNAYRXSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675765346 541689682 /nfs/dbraw/zinc/68/96/82/541689682.db2.gz CQHUFJSAYNQCQE-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+]1CCC(N[C@@H]2CCOc3c(OC)cccc32)CC1 ZINC000675730928 541685355 /nfs/dbraw/zinc/68/53/55/541685355.db2.gz XJLWAGLQUAMYSX-OAHLLOKOSA-N 2 0 290.407 2.593 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCSCC1 ZINC000675878765 541701828 /nfs/dbraw/zinc/70/18/28/541701828.db2.gz ZAAFICZOUUPFEB-UHFFFAOYSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000453087858 243394999 /nfs/dbraw/zinc/39/49/99/243394999.db2.gz QGQDSKNUIFEVOA-DOTOQJQBSA-N 2 0 287.451 2.867 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOC(C)(C)C)CC[C@@H]21 ZINC000675897620 541705353 /nfs/dbraw/zinc/70/53/53/541705353.db2.gz KOOOKNALCJSPOG-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675926595 541710130 /nfs/dbraw/zinc/71/01/30/541710130.db2.gz SLPOLPMOKQZLID-CRAIPNDOSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CC=CC1 ZINC000675938561 541711423 /nfs/dbraw/zinc/71/14/23/541711423.db2.gz SJDYFKGTADJSKH-WMLDXEAASA-N 2 0 256.393 2.815 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)C1C[NH2+]C1 ZINC000423096963 299394991 /nfs/dbraw/zinc/39/49/91/299394991.db2.gz QDXGRVMRKJEACB-DETPVDSQSA-N 2 0 262.372 2.659 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1N(C)C ZINC000423505470 299395131 /nfs/dbraw/zinc/39/51/31/299395131.db2.gz LOUUDBQNDRQAKM-MELADBBJSA-N 2 0 261.413 2.531 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197823 296149177 /nfs/dbraw/zinc/14/91/77/296149177.db2.gz NVHCTJBWKXEICA-FXUDXRNXSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000459426310 245174920 /nfs/dbraw/zinc/17/49/20/245174920.db2.gz NUGSIRMHFPFHGG-LLLHUVSDSA-N 2 0 258.409 2.862 20 0 CFADRP Cc1ccc([C@]2(C)CC[N@@H+](CCc3cncn3C)C2)cc1 ZINC000459442012 245182032 /nfs/dbraw/zinc/18/20/32/245182032.db2.gz PEUYYCGCNXCXTD-GOSISDBHSA-N 2 0 283.419 2.935 20 0 CFADRP CN1CC[C@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000459477243 245192593 /nfs/dbraw/zinc/19/25/93/245192593.db2.gz GXZIMHSCTPLBPI-XLAORIBOSA-N 2 0 270.420 2.816 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677130272 541825204 /nfs/dbraw/zinc/82/52/04/541825204.db2.gz SZYGHSUPOGPYMK-OAHLLOKOSA-N 2 0 268.351 2.884 20 0 CFADRP CC[N@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000459463625 245187245 /nfs/dbraw/zinc/18/72/45/245187245.db2.gz OCRRAQKKKGKURZ-CALCHBBNSA-N 2 0 289.467 2.533 20 0 CFADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000459578631 245224528 /nfs/dbraw/zinc/22/45/28/245224528.db2.gz YESGCMAXULRLAL-ZDUSSCGKSA-N 2 0 269.339 2.684 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)CC1CCOCC1 ZINC000459661066 245262630 /nfs/dbraw/zinc/26/26/30/245262630.db2.gz PNVOMKLEDAIYEH-CQSZACIVSA-N 2 0 287.407 2.877 20 0 CFADRP COc1ccc(OC)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459730145 245288830 /nfs/dbraw/zinc/28/88/30/245288830.db2.gz JXHJXDOFDHLYAC-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000459739405 245296216 /nfs/dbraw/zinc/29/62/16/245296216.db2.gz SMMRJBYSFFTNDZ-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459783969 245324629 /nfs/dbraw/zinc/32/46/29/245324629.db2.gz NPSOVLXPWOERIK-HNNXBMFYSA-N 2 0 278.444 2.594 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(C)c1O ZINC000459782612 245325356 /nfs/dbraw/zinc/32/53/56/245325356.db2.gz MRLGAPXISQKPNA-OAHLLOKOSA-N 2 0 276.424 2.831 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000001633810 371689489 /nfs/dbraw/zinc/68/94/89/371689489.db2.gz MUUPYBQXXHGUNL-CNSOWSRNSA-N 2 0 262.441 2.743 20 0 CFADRP Cc1nccn1CCC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000020860154 372239576 /nfs/dbraw/zinc/23/95/76/372239576.db2.gz FBEOXIYELLVRSM-UHFFFAOYSA-N 2 0 298.434 2.712 20 0 CFADRP CCOc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000019905683 372206045 /nfs/dbraw/zinc/20/60/45/372206045.db2.gz JAFJIVZQKVIAEE-UHFFFAOYSA-N 2 0 264.413 2.763 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000034676122 372512571 /nfs/dbraw/zinc/51/25/71/372512571.db2.gz MRMPTFGZKCWEEH-KZNAEPCWSA-N 2 0 295.515 2.674 20 0 CFADRP [NH3+]CCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000036883474 372606784 /nfs/dbraw/zinc/60/67/84/372606784.db2.gz WUJDJHAUFLJAFF-UHFFFAOYSA-N 2 0 250.361 2.919 20 0 CFADRP CC[NH+]1CCC(Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000036979598 372620634 /nfs/dbraw/zinc/62/06/34/372620634.db2.gz IJXITEIBHOVZDH-UHFFFAOYSA-N 2 0 261.413 2.644 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037140243 372653607 /nfs/dbraw/zinc/65/36/07/372653607.db2.gz UHVRWKWBKLZAJD-HZTRTUMWSA-N 2 0 288.435 2.928 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000037644030 372679105 /nfs/dbraw/zinc/67/91/05/372679105.db2.gz QFZQMUVPTPAIAY-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(O)cc2)C1 ZINC000037644101 372680953 /nfs/dbraw/zinc/68/09/53/372680953.db2.gz GBVHQBVUOSSNLU-GOEBONIOSA-N 2 0 276.424 2.645 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649193 372684169 /nfs/dbraw/zinc/68/41/69/372684169.db2.gz VEYPFQIBELDSLL-UONOGXRCSA-N 2 0 274.408 2.830 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000037713867 372690239 /nfs/dbraw/zinc/69/02/39/372690239.db2.gz YSOKKUNQKPRDAF-SECBINFHSA-N 2 0 255.431 2.748 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1 ZINC000037714757 372690880 /nfs/dbraw/zinc/69/08/80/372690880.db2.gz BFUQUFKDPLKBRX-SNVBAGLBSA-N 2 0 271.202 2.839 20 0 CFADRP CC[NH+]1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000037854614 372726824 /nfs/dbraw/zinc/72/68/24/372726824.db2.gz MCPDEEKKCMNOOM-UHFFFAOYSA-N 2 0 264.438 2.853 20 0 CFADRP C[NH2+]C[C@H]1CCCN([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000040592124 372784516 /nfs/dbraw/zinc/78/45/16/372784516.db2.gz LNYSGNNBQKPJDE-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP CCC[NH+](CCC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000041665333 372856921 /nfs/dbraw/zinc/85/69/21/372856921.db2.gz HKHJYNIRTLDKTR-HNNXBMFYSA-N 2 0 264.413 2.860 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000042427728 372921715 /nfs/dbraw/zinc/92/17/15/372921715.db2.gz ZSUVSJDMUZNJDU-UHFFFAOYSA-N 2 0 254.324 2.526 20 0 CFADRP COCc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)ccc1OC ZINC000045663887 373026247 /nfs/dbraw/zinc/02/62/47/373026247.db2.gz YWDXYSDVYGPXBJ-AWEZNQCLSA-N 2 0 294.439 2.834 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CCCC[NH+](C)C ZINC000045663503 373027390 /nfs/dbraw/zinc/02/73/90/373027390.db2.gz YHAYGVOZBPZSFO-CQSZACIVSA-N 2 0 264.413 2.645 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(F)cc1Cl ZINC000045698750 373029554 /nfs/dbraw/zinc/02/95/54/373029554.db2.gz UKRGNQOQKHXDSE-UHFFFAOYSA-N 2 0 258.768 2.911 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045598278 373022872 /nfs/dbraw/zinc/02/28/72/373022872.db2.gz GWWXRUZHUJZXJX-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000045628985 373023263 /nfs/dbraw/zinc/02/32/63/373023263.db2.gz ZFLSYGSLRDXWIS-OAHLLOKOSA-N 2 0 271.408 2.996 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccsc1)N1CC[NH+](C)CC1 ZINC000050344471 373369755 /nfs/dbraw/zinc/36/97/55/373369755.db2.gz JVNULZKALDKSAN-HOCLYGCPSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000051693577 373406739 /nfs/dbraw/zinc/40/67/39/373406739.db2.gz BQXJPUXMGLHHRJ-OIKLOGQESA-N 2 0 254.324 2.885 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000051756228 373408112 /nfs/dbraw/zinc/40/81/12/373408112.db2.gz XBCQCPNVANXYOF-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252870477 220229655 /nfs/dbraw/zinc/22/96/55/220229655.db2.gz SJRAQEJRJLWCEB-BPUTZDHNSA-N 2 0 262.372 2.693 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OC(F)F ZINC000571431287 383695165 /nfs/dbraw/zinc/69/51/65/383695165.db2.gz PVHSLMVVUCDAEJ-NXEZZACHSA-N 2 0 288.338 2.512 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000070074163 374120986 /nfs/dbraw/zinc/12/09/86/374120986.db2.gz BHPGMTSKCNYUTA-LLVKDONJSA-N 2 0 254.324 2.526 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000070074114 374122110 /nfs/dbraw/zinc/12/21/10/374122110.db2.gz ZPHSQIXWGKISEP-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000070149610 374130038 /nfs/dbraw/zinc/13/00/38/374130038.db2.gz FXPYYQQRJCVAIJ-INIZCTEOSA-N 2 0 284.407 2.576 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)s1 ZINC000070169430 374135154 /nfs/dbraw/zinc/13/51/54/374135154.db2.gz JYFXOIDXUYNLLM-ZDUSSCGKSA-N 2 0 252.427 2.926 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000070174436 374141012 /nfs/dbraw/zinc/14/10/12/374141012.db2.gz LGGABZWIFUDTKV-OLZOCXBDSA-N 2 0 282.815 2.778 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174387 374141983 /nfs/dbraw/zinc/14/19/83/374141983.db2.gz JAJREYGRIFIOAF-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000070174785 374142337 /nfs/dbraw/zinc/14/23/37/374142337.db2.gz VBOKEDNIOBNOCI-GXTWGEPZSA-N 2 0 287.382 2.933 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000070188837 374143138 /nfs/dbraw/zinc/14/31/38/374143138.db2.gz YEMZMRILJXGPHO-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(Br)s2)CC[NH2+]C1 ZINC000070600491 374198495 /nfs/dbraw/zinc/19/84/95/374198495.db2.gz OSPYEWYMGXWJJZ-LLVKDONJSA-N 2 0 289.242 2.600 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490882783 246029873 /nfs/dbraw/zinc/02/98/73/246029873.db2.gz GJFHMHGEMJEJCY-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000071142387 374212635 /nfs/dbraw/zinc/21/26/35/374212635.db2.gz ADGAYEWLPBBTLA-NWDGAFQWSA-N 2 0 284.350 2.890 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070534433 374190132 /nfs/dbraw/zinc/19/01/32/374190132.db2.gz MIQOKJQLQDSQFV-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000571492842 383699857 /nfs/dbraw/zinc/69/98/57/383699857.db2.gz GJGXMBFJZQWJTM-UHFFFAOYSA-N 2 0 278.444 2.594 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)CN1C1CC1 ZINC000678016288 541936454 /nfs/dbraw/zinc/93/64/54/541936454.db2.gz UBRLJMFTKRXSJN-IJEWVQPXSA-N 2 0 280.456 2.797 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835247 374507121 /nfs/dbraw/zinc/50/71/21/374507121.db2.gz FLNQACMXVVOSCO-QGZVFWFLSA-N 2 0 258.409 2.994 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250574634 189966802 /nfs/dbraw/zinc/96/68/02/189966802.db2.gz JBVIANOBHKTHEN-RCCFBDPRSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1F ZINC000251488579 189970063 /nfs/dbraw/zinc/97/00/63/189970063.db2.gz CDIBEJDTAGTSNA-HUBLWGQQSA-N 2 0 250.361 2.994 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)[C@H](CO)CC(C)(C)C ZINC000451776994 383703430 /nfs/dbraw/zinc/70/34/30/383703430.db2.gz AXSWIVSMFRWWCR-HNNXBMFYSA-N 2 0 270.461 2.591 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333594 374804533 /nfs/dbraw/zinc/80/45/33/374804533.db2.gz MNAISJZWMVRPGR-SNVBAGLBSA-N 2 0 258.818 2.962 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089147197 374874988 /nfs/dbraw/zinc/87/49/88/374874988.db2.gz QXVHTEFZUSGZRH-KZNAEPCWSA-N 2 0 289.467 2.787 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147878 374875801 /nfs/dbraw/zinc/87/58/01/374875801.db2.gz FKRNUJHAKKCIQN-ZWKOTPCHSA-N 3 0 289.467 2.745 20 0 CFADRP COCc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000088552753 374852857 /nfs/dbraw/zinc/85/28/57/374852857.db2.gz HZELMRSCPPPYIC-UHFFFAOYSA-N 2 0 276.424 2.799 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1Br ZINC000089749225 374944103 /nfs/dbraw/zinc/94/41/03/374944103.db2.gz ZETQUOUOZADJRD-GFCCVEGCSA-N 2 0 297.240 2.881 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000091080286 375040001 /nfs/dbraw/zinc/04/00/01/375040001.db2.gz ORXGCODPJDFXSZ-LSDHHAIUSA-N 2 0 276.428 2.648 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000090937037 375035318 /nfs/dbraw/zinc/03/53/18/375035318.db2.gz DYKDXVMTZUOTHT-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP CCn1nc(C)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000092381087 375105631 /nfs/dbraw/zinc/10/56/31/375105631.db2.gz PDSRUPXKDRBDSX-UHFFFAOYSA-N 2 0 292.471 2.684 20 0 CFADRP Cc1ncccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381316 375105986 /nfs/dbraw/zinc/10/59/86/375105986.db2.gz KBZISEFTDWCNNE-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(C)(C)C)CC2)C[C@H](C)O1 ZINC000092587571 375125881 /nfs/dbraw/zinc/12/58/81/375125881.db2.gz MVDIUZRRWQSKDS-GASCZTMLSA-N 2 0 282.472 2.854 20 0 CFADRP Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093490998 375254707 /nfs/dbraw/zinc/25/47/07/375254707.db2.gz DDMXUFJSFVQHLY-FGTMMUONSA-N 2 0 288.435 2.835 20 0 CFADRP Cc1ncccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093688692 375296879 /nfs/dbraw/zinc/29/68/79/375296879.db2.gz WIBGPIXUFNSZIR-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP C[N@H+](Cc1cc(F)cc2cccnc21)CC(C)(C)C[NH3+] ZINC000093874459 375327883 /nfs/dbraw/zinc/32/78/83/375327883.db2.gz MCOKUZSYBNVALN-UHFFFAOYSA-N 2 0 275.371 2.791 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CC1 ZINC000093513906 375261944 /nfs/dbraw/zinc/26/19/44/375261944.db2.gz PWULFUVQNGELIK-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000093942323 375331885 /nfs/dbraw/zinc/33/18/85/375331885.db2.gz TXJIJFZPLXDYGY-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000093946570 375332424 /nfs/dbraw/zinc/33/24/24/375332424.db2.gz JQVIBRXKOUBTKU-BQFCYCMXSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000094024759 375335552 /nfs/dbraw/zinc/33/55/52/375335552.db2.gz GGWQBTCARCIGPN-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011009 375336042 /nfs/dbraw/zinc/33/60/42/375336042.db2.gz GGGOMULSSHXHLU-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP C[C@H](C[NH+]1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000094070551 375338129 /nfs/dbraw/zinc/33/81/29/375338129.db2.gz ZHYXJSZSWAVKJZ-OAHLLOKOSA-N 2 0 276.424 2.620 20 0 CFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094069887 375338517 /nfs/dbraw/zinc/33/85/17/375338517.db2.gz WQJXRNVRWZNLOT-CYBMUJFWSA-N 2 0 280.387 2.717 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094370362 375356965 /nfs/dbraw/zinc/35/69/65/375356965.db2.gz VPKOQOYOMDAYMF-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422837 375360967 /nfs/dbraw/zinc/36/09/67/375360967.db2.gz KOHXNVKIPTYTIR-CQSZACIVSA-N 2 0 268.445 2.795 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCC1 ZINC000094424393 375361159 /nfs/dbraw/zinc/36/11/59/375361159.db2.gz SECJZCSWDKHBIH-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519061 375365548 /nfs/dbraw/zinc/36/55/48/375365548.db2.gz XQQIUPIQPJRUMU-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1ccsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000094874997 375386262 /nfs/dbraw/zinc/38/62/62/375386262.db2.gz RTGQBWCHKBTXDY-YHWZYXNKSA-N 2 0 250.411 2.771 20 0 CFADRP CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095091330 375411909 /nfs/dbraw/zinc/41/19/09/375411909.db2.gz DTOPAMVZJLLMGS-UHFFFAOYSA-N 2 0 258.409 2.994 20 0 CFADRP Cc1[nH+]ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c1Cl ZINC000497113056 247048927 /nfs/dbraw/zinc/04/89/27/247048927.db2.gz GKLWTOYYXMFECZ-NSHDSACASA-N 2 0 269.820 2.854 20 0 CFADRP CC[N@H+](CCC1CC[NH+](Cc2cn[nH]c2)CC1)CC1CC1 ZINC000678353773 542011185 /nfs/dbraw/zinc/01/11/85/542011185.db2.gz XHCNEUGIYNXJQA-UHFFFAOYSA-N 2 0 290.455 2.744 20 0 CFADRP CC(C)C1CCC(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000512028440 247208571 /nfs/dbraw/zinc/20/85/71/247208571.db2.gz ZUCQRLWEKBXWJD-WWDZGPRUSA-N 2 0 295.515 2.674 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@@H]2CCC[C@@H]21 ZINC000513707351 247224171 /nfs/dbraw/zinc/22/41/71/247224171.db2.gz BQLRSTOOWZBIJF-BPUTZDHNSA-N 2 0 294.389 2.970 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000513666301 247225087 /nfs/dbraw/zinc/22/50/87/247225087.db2.gz KYAKOZURAPKNFP-KSZLIROESA-N 2 0 288.435 2.836 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000513666302 247225323 /nfs/dbraw/zinc/22/53/23/247225323.db2.gz KYAKOZURAPKNFP-KURKYZTESA-N 2 0 288.435 2.836 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000513656219 247225582 /nfs/dbraw/zinc/22/55/82/247225582.db2.gz QTNMJGARNIGVAN-KZNAEPCWSA-N 2 0 272.436 3.000 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598622 542049215 /nfs/dbraw/zinc/04/92/15/542049215.db2.gz SZMUGDGQHKCVAF-VNQPRFMTSA-N 2 0 280.456 2.654 20 0 CFADRP OC[C@H](CC1CC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000678604931 542051670 /nfs/dbraw/zinc/05/16/70/542051670.db2.gz APXVBVXZMZUZTO-INIZCTEOSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1cc(F)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112017257 375877265 /nfs/dbraw/zinc/87/72/65/375877265.db2.gz FZYBWYRDFOZYPX-HZPDHXFCSA-N 2 0 262.372 2.851 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000678772537 542067787 /nfs/dbraw/zinc/06/77/87/542067787.db2.gz NANQUIJBBOVUKM-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548890 376137528 /nfs/dbraw/zinc/13/75/28/376137528.db2.gz TZVBRISIVJUPHV-SFHVURJKSA-N 2 0 290.451 2.916 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCCCOC)CC1 ZINC000117883412 376267555 /nfs/dbraw/zinc/26/75/55/376267555.db2.gz IBRQOPYMWYMZLD-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1C ZINC000119223610 376375530 /nfs/dbraw/zinc/37/55/30/376375530.db2.gz IGOJXWOEKLOKHO-YJBOKZPZSA-N 2 0 298.434 2.504 20 0 CFADRP C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000119773976 376470826 /nfs/dbraw/zinc/47/08/26/376470826.db2.gz SWPVVOKHYNCPAM-KFWWJZLASA-N 2 0 294.414 2.976 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)c2nccs2)CC1 ZINC000120571736 376643320 /nfs/dbraw/zinc/64/33/20/376643320.db2.gz PNHYJPOVNQDJJC-LBPRGKRZSA-N 2 0 267.442 2.711 20 0 CFADRP CN(C)c1cc[nH+]cc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120906197 376719459 /nfs/dbraw/zinc/71/94/59/376719459.db2.gz LVYVXETUBDREJT-UHFFFAOYSA-N 2 0 290.455 2.546 20 0 CFADRP C[C@H]1C[C@H](Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000679143019 542126827 /nfs/dbraw/zinc/12/68/27/542126827.db2.gz OKJXPWFTUUCOFX-WMLDXEAASA-N 2 0 275.440 2.685 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345718621 284608059 /nfs/dbraw/zinc/60/80/59/284608059.db2.gz SVVHCEFVHNPBNV-UXLLHSPISA-N 2 0 297.487 2.521 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414054579 284606873 /nfs/dbraw/zinc/60/68/73/284606873.db2.gz NKZYOPPXHRZNRX-CABCVRRESA-N 2 0 292.471 2.990 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000086869609 284606901 /nfs/dbraw/zinc/60/69/01/284606901.db2.gz QAGGWYJRAMKCLM-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000123638358 376965056 /nfs/dbraw/zinc/96/50/56/376965056.db2.gz FBFBTXYTOCDQRN-PWSUYJOCSA-N 2 0 272.314 2.875 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000123921150 376996639 /nfs/dbraw/zinc/99/66/39/376996639.db2.gz ZUSLVZNKFVBYHA-BZUAXINKSA-N 2 0 290.455 2.514 20 0 CFADRP COCC[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000124679301 377077507 /nfs/dbraw/zinc/07/75/07/377077507.db2.gz RGQSGVWLFNJEIX-JKSUJKDBSA-N 2 0 278.440 2.912 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000125652322 377179532 /nfs/dbraw/zinc/17/95/32/377179532.db2.gz JDSUZIULDAGSSJ-BZUAXINKSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127082851 377263332 /nfs/dbraw/zinc/26/33/32/377263332.db2.gz OEJCKATZGLPVBA-FPCVCCKLSA-N 2 0 268.445 2.654 20 0 CFADRP c1cn(-c2ccccc2)nc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128109049 377316887 /nfs/dbraw/zinc/31/68/87/377316887.db2.gz OXUDWAJSARXZOX-MAUKXSAKSA-N 2 0 296.418 2.589 20 0 CFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1nc(-c2ccccc2)no1 ZINC000128489055 377342058 /nfs/dbraw/zinc/34/20/58/377342058.db2.gz MTBKDRXBFCQPHN-CQSZACIVSA-N 2 0 288.395 2.542 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000571731647 383720833 /nfs/dbraw/zinc/72/08/33/383720833.db2.gz BZFJOKANDQTRNP-CBBWQLFWSA-N 2 0 270.461 2.898 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)CC2 ZINC000129424870 377425562 /nfs/dbraw/zinc/42/55/62/377425562.db2.gz ZSLLHPGNJRRCAA-MRXNPFEDSA-N 2 0 290.451 2.730 20 0 CFADRP C[C@H]1CC[N@H+](CCN(C)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000129439113 377426758 /nfs/dbraw/zinc/42/67/58/377426758.db2.gz FNZUWMSZGPNZFK-WMZOPIPTSA-N 2 0 298.434 2.902 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000129515165 377438338 /nfs/dbraw/zinc/43/83/38/377438338.db2.gz YMLNJQOMGHMMBH-DZGCQCFKSA-N 2 0 271.408 2.783 20 0 CFADRP C[C@@H]1C[C@H](NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000129819731 377477327 /nfs/dbraw/zinc/47/73/27/377477327.db2.gz KRIGURFCJMBOCW-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000129856749 377481733 /nfs/dbraw/zinc/48/17/33/377481733.db2.gz PSOVTWCJOLQCAL-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP COc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1O ZINC000129942861 377492673 /nfs/dbraw/zinc/49/26/73/377492673.db2.gz RRONQBOOTQYLDJ-HNNXBMFYSA-N 2 0 292.423 2.707 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000679334183 542171146 /nfs/dbraw/zinc/17/11/46/542171146.db2.gz JXSWGUGBGQXILF-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(OC)cc2)[C@H](C)C1 ZINC000130216183 377524025 /nfs/dbraw/zinc/52/40/25/377524025.db2.gz RXRFNACBUBPASL-QAPCUYQASA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]CC1CCCCCC1 ZINC000350312542 284639188 /nfs/dbraw/zinc/63/91/88/284639188.db2.gz CFOFEUQFNYMPDT-UHFFFAOYSA-N 2 0 270.461 2.905 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000349664504 284640758 /nfs/dbraw/zinc/64/07/58/284640758.db2.gz MATDYFNLMUCNKH-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CN(c1ccccc1C[N@H+]1CC=CCC1)C1CC[NH+](C)CC1 ZINC000679357519 542177773 /nfs/dbraw/zinc/17/77/73/542177773.db2.gz XTSFHXQPBBDBLC-UHFFFAOYSA-N 2 0 299.462 2.979 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@@H]21 ZINC000130590059 377580113 /nfs/dbraw/zinc/58/01/13/377580113.db2.gz XVVXKPYRMHFDNI-WBVHZDCISA-N 2 0 285.435 2.571 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCCN(C)C2)ccc1Cl ZINC000679477354 542195280 /nfs/dbraw/zinc/19/52/80/542195280.db2.gz QZPHCJIKZRKRET-ZDUSSCGKSA-N 2 0 252.789 2.832 20 0 CFADRP Cc1n[nH]c(C)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000131285946 377688871 /nfs/dbraw/zinc/68/88/71/377688871.db2.gz HLAYXCVUTPGHHN-UHFFFAOYSA-N 2 0 278.444 2.580 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000131546355 377726703 /nfs/dbraw/zinc/72/67/03/377726703.db2.gz XPZIMKVLDJBEFB-QWHCGFSZSA-N 2 0 271.364 2.511 20 0 CFADRP C[C@H]1CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1n1ccnc1 ZINC000132113318 377804845 /nfs/dbraw/zinc/80/48/45/377804845.db2.gz YEVCDRIDZHBFGH-BBRMVZONSA-N 2 0 295.390 2.843 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000132064859 377797426 /nfs/dbraw/zinc/79/74/26/377797426.db2.gz CHMGMVKPYVOKLE-MNOVXSKESA-N 2 0 254.324 2.615 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132783064 377875342 /nfs/dbraw/zinc/87/53/42/377875342.db2.gz SICPMZAVBCQEQU-KKUMJFAQSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000133022165 377895645 /nfs/dbraw/zinc/89/56/45/377895645.db2.gz WSYGTWJYHMEMNP-ZBFHGGJFSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133028954 377897410 /nfs/dbraw/zinc/89/74/10/377897410.db2.gz JXVNBJVEBIUVOM-MNTYIPCHSA-N 2 0 294.483 2.902 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000133380444 377924816 /nfs/dbraw/zinc/92/48/16/377924816.db2.gz CXUGISKIZZQARO-HNNXBMFYSA-N 2 0 250.386 2.500 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccccc32)CCN1C ZINC000133472451 377932856 /nfs/dbraw/zinc/93/28/56/377932856.db2.gz WMZAAJIIADWXSD-SQWLQELKSA-N 2 0 274.408 2.973 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCOC1 ZINC000134083067 377980592 /nfs/dbraw/zinc/98/05/92/377980592.db2.gz PLXKWIUAVGBSAO-LVQVYYBASA-N 2 0 282.472 2.758 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893555 295257102 /nfs/dbraw/zinc/25/71/02/295257102.db2.gz AFCZQONVDCICLF-SWLSCSKDSA-N 2 0 262.372 2.574 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000134174770 377989147 /nfs/dbraw/zinc/98/91/47/377989147.db2.gz ZVSYRWRBQDRUPW-FGTMMUONSA-N 2 0 294.483 2.661 20 0 CFADRP c1cc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccn1 ZINC000134907767 378061539 /nfs/dbraw/zinc/06/15/39/378061539.db2.gz NSQNRNMKAYTQRF-SJLPKXTDSA-N 2 0 285.435 2.573 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529539901 383725510 /nfs/dbraw/zinc/72/55/10/383725510.db2.gz BRLQDJNAMLMXTG-LLVKDONJSA-N 2 0 260.372 2.884 20 0 CFADRP Fc1ccccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150771309 378271587 /nfs/dbraw/zinc/27/15/87/378271587.db2.gz DXXYBOCAMJNLJE-AWEZNQCLSA-N 2 0 262.372 2.743 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CN1C1CC1 ZINC000151085252 378293219 /nfs/dbraw/zinc/29/32/19/378293219.db2.gz BCUDYJKXDHYLTE-OCCSQVGLSA-N 2 0 269.392 2.883 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150984753 378285204 /nfs/dbraw/zinc/28/52/04/378285204.db2.gz QOVCYXIRGZRXKS-MRXNPFEDSA-N 2 0 289.467 2.672 20 0 CFADRP CC[C@H]([NH2+]CCN(C)Cc1ccccc1)c1cnn(C)c1 ZINC000151026352 378287334 /nfs/dbraw/zinc/28/73/34/378287334.db2.gz SLFPHMXPLSZHEJ-KRWDZBQOSA-N 2 0 286.423 2.593 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccccc3)CC[C@@H]21 ZINC000140037821 378236600 /nfs/dbraw/zinc/23/66/00/378236600.db2.gz ITBITZPNRHVAFO-SJORKVTESA-N 2 0 258.409 2.645 20 0 CFADRP CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000151828349 378362818 /nfs/dbraw/zinc/36/28/18/378362818.db2.gz RTKPTNJTHZEEBJ-WFASDCNBSA-N 2 0 273.380 2.602 20 0 CFADRP COC[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000151722043 378353059 /nfs/dbraw/zinc/35/30/59/378353059.db2.gz JYGRCIOUZAAWDN-CHWSQXEVSA-N 2 0 259.353 2.558 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)C)[C@H](C)C1 ZINC000151770201 378357398 /nfs/dbraw/zinc/35/73/98/378357398.db2.gz WFYWZSNSPWGWKV-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000152031494 378386917 /nfs/dbraw/zinc/38/69/17/378386917.db2.gz SHHSIGHQVOKVRL-HOCLYGCPSA-N 2 0 260.425 2.894 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000154260814 378552718 /nfs/dbraw/zinc/55/27/18/378552718.db2.gz UBAMQVPGXAJAFX-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000154519706 378575252 /nfs/dbraw/zinc/57/52/52/378575252.db2.gz UHLJNHZCBJPTNM-SJORKVTESA-N 2 0 258.409 2.692 20 0 CFADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000154533743 378576546 /nfs/dbraw/zinc/57/65/46/378576546.db2.gz ZIEGPPSCFCTDQC-USXIJHARSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154632274 378586709 /nfs/dbraw/zinc/58/67/09/378586709.db2.gz DHAXVGJSFWPPAF-SZMVWBNQSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000155021120 378607854 /nfs/dbraw/zinc/60/78/54/378607854.db2.gz DFESAYGSCCBASU-KGLIPLIRSA-N 2 0 295.858 2.627 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@H]3CCCCS3)CC2)cc[nH+]1 ZINC000156396723 378640243 /nfs/dbraw/zinc/64/02/43/378640243.db2.gz MTMNROBDSOKLPH-MRXNPFEDSA-N 2 0 291.464 2.926 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)C[NH+]1CCCCC1 ZINC000157415091 378654049 /nfs/dbraw/zinc/65/40/49/378654049.db2.gz UITJTIPJPDAWMU-JLSDUUJJSA-N 2 0 287.451 2.843 20 0 CFADRP CC[N@H+](CCn1ccnc1)[C@H](C)c1cccc(O)c1 ZINC000161967555 378884118 /nfs/dbraw/zinc/88/41/18/378884118.db2.gz GFHMCSQJARDRFD-CYBMUJFWSA-N 2 0 259.353 2.672 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000278519835 194024238 /nfs/dbraw/zinc/02/42/38/194024238.db2.gz SFNMHTGUMKZKDP-ZDUSSCGKSA-N 2 0 259.397 2.607 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163437256 378973421 /nfs/dbraw/zinc/97/34/21/378973421.db2.gz DFPOWPSWAFSYMA-OCCSQVGLSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1C[NH3+] ZINC000163427420 378970983 /nfs/dbraw/zinc/97/09/83/378970983.db2.gz XIFTUXANIZXACE-HIFRSBDPSA-N 2 0 269.392 2.652 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163416609 378971905 /nfs/dbraw/zinc/97/19/05/378971905.db2.gz HBRKALGIEKSUAP-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000335277828 379013999 /nfs/dbraw/zinc/01/39/99/379013999.db2.gz LPXVSWQHWTZGQV-UHFFFAOYSA-N 2 0 283.213 2.599 20 0 CFADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCCCC1)CC(C)C ZINC000164411206 379015727 /nfs/dbraw/zinc/01/57/27/379015727.db2.gz XUGQQUASZPHBFU-OAHLLOKOSA-N 2 0 297.487 2.521 20 0 CFADRP Cc1cc2cc(CNC3CC[NH2+]CC3)oc2cc1C ZINC000335278826 379016319 /nfs/dbraw/zinc/01/63/19/379016319.db2.gz QPDDZHJIKZNUQB-UHFFFAOYSA-N 2 0 258.365 2.891 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccncc1Cl ZINC000529569569 383733259 /nfs/dbraw/zinc/73/32/59/383733259.db2.gz ODZZWNKTGSCXSD-BXUZGUMPSA-N 2 0 267.804 2.507 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000278637575 194079853 /nfs/dbraw/zinc/07/98/53/194079853.db2.gz LEIHCJUWYMLCLR-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccccc1N(C)C)CC[NH2+]CC2 ZINC000335280601 379019248 /nfs/dbraw/zinc/01/92/48/379019248.db2.gz WYDWYLREONUFJW-OAHLLOKOSA-N 2 0 287.451 2.717 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089147740 284738568 /nfs/dbraw/zinc/73/85/68/284738568.db2.gz PWHBIWNWQVDWOZ-CRAIPNDOSA-N 3 0 289.467 2.745 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)ccc1F ZINC000335276662 379012653 /nfs/dbraw/zinc/01/26/53/379012653.db2.gz GMTSDIMXGWLLCX-NWSOVMFYSA-N 2 0 266.335 2.570 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000165931265 379043259 /nfs/dbraw/zinc/04/32/59/379043259.db2.gz UHKDGMJXLPQNNQ-DOTOQJQBSA-N 2 0 294.414 2.759 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1CCCC1 ZINC000166046778 379049725 /nfs/dbraw/zinc/04/97/25/379049725.db2.gz BUOPWRHWBAJKCY-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423039158 284758675 /nfs/dbraw/zinc/75/86/75/284758675.db2.gz PZKLSSULPRRUMY-LMPOIIKSSA-N 2 0 268.445 2.559 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000170884261 379184585 /nfs/dbraw/zinc/18/45/85/379184585.db2.gz UBLBZVMSYNYQKZ-INIZCTEOSA-N 2 0 276.424 2.729 20 0 CFADRP Fc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335372525 379181584 /nfs/dbraw/zinc/18/15/84/379181584.db2.gz VIQGAWIUPFBZSC-CQSZACIVSA-N 2 0 262.372 2.647 20 0 CFADRP CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1F ZINC000278871815 194190637 /nfs/dbraw/zinc/19/06/37/194190637.db2.gz YSMKUSPFWOOGBH-UHFFFAOYSA-N 2 0 278.371 2.576 20 0 CFADRP Cc1nc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)s1 ZINC000334446293 379314788 /nfs/dbraw/zinc/31/47/88/379314788.db2.gz PLRSOPHQJWAMTR-HNNXBMFYSA-N 2 0 279.453 2.678 20 0 CFADRP c1cn(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cn1 ZINC000378886157 781969361 /nfs/dbraw/zinc/96/93/61/781969361.db2.gz IAQBOCOBUUQWMS-AEFFLSMTSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc2cccnc2o1 ZINC000335578238 379544063 /nfs/dbraw/zinc/54/40/63/379544063.db2.gz FFEQDQSQAXUINJ-DOMZBBRYSA-N 2 0 273.380 2.600 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000335595278 379580181 /nfs/dbraw/zinc/58/01/81/379580181.db2.gz ADSLVUMZOWQWSX-LLVKDONJSA-N 2 0 297.240 2.633 20 0 CFADRP C[C@H]1C[C@H](NCc2ccsc2Cl)CC[N@@H+]1C ZINC000335603760 379590649 /nfs/dbraw/zinc/59/06/49/379590649.db2.gz ZTPRZJFQILVJQP-GXSJLCMTSA-N 2 0 258.818 2.974 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(C/C=C/c3ccncc3)C2)C1 ZINC000334593332 379591663 /nfs/dbraw/zinc/59/16/63/379591663.db2.gz CPPMLRTWNGENCH-NKEDHYFDSA-N 2 0 271.408 2.513 20 0 CFADRP COC1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335594012 379578126 /nfs/dbraw/zinc/57/81/26/379578126.db2.gz FNKBGGBINSZKGS-UQZDFYISSA-N 2 0 260.381 2.678 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000335635181 379637135 /nfs/dbraw/zinc/63/71/35/379637135.db2.gz QOCRMEGQGSNIIJ-KBPBESRZSA-N 2 0 279.453 2.581 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335616096 379609321 /nfs/dbraw/zinc/60/93/21/379609321.db2.gz UGSGVVFEPSOJLN-XVSSEFHLSA-N 2 0 260.372 2.788 20 0 CFADRP Clc1ccc(CC[N@@H+]2CCn3cncc3C2)cc1 ZINC000334644594 379695985 /nfs/dbraw/zinc/69/59/85/379695985.db2.gz CRMGKGHKJZYQOB-UHFFFAOYSA-N 2 0 261.756 2.595 20 0 CFADRP Cc1ccc2cc(CN[C@H]3CC[NH2+]C3(C)C)ccc2n1 ZINC000335645142 379652725 /nfs/dbraw/zinc/65/27/25/379652725.db2.gz AJMCUCPKOFEDSI-INIZCTEOSA-N 2 0 269.392 2.773 20 0 CFADRP Clc1cnccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334661199 379726556 /nfs/dbraw/zinc/72/65/56/379726556.db2.gz FLXWLAKIVHJYTE-ZDUSSCGKSA-N 2 0 279.815 2.557 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC000173893582 379795093 /nfs/dbraw/zinc/79/50/93/379795093.db2.gz LLLHICHRUYFPHZ-CQSZACIVSA-N 2 0 250.361 2.599 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(C[C@H](O)c2ccccc2Cl)C1 ZINC000173912365 379799436 /nfs/dbraw/zinc/79/94/36/379799436.db2.gz SPFMIFIJIFCYRE-CJNGLKHVSA-N 2 0 296.842 2.647 20 0 CFADRP C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000173948915 379806707 /nfs/dbraw/zinc/80/67/07/379806707.db2.gz QBCRORTUVKHRHK-AWEZNQCLSA-N 2 0 284.444 2.524 20 0 CFADRP CCn1c2ccc(F)cc2nc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000571936872 383740817 /nfs/dbraw/zinc/74/08/17/383740817.db2.gz INTQYCUPHGUOCG-WCQYABFASA-N 2 0 290.386 2.507 20 0 CFADRP Cc1nsc(C)c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000571937454 383740979 /nfs/dbraw/zinc/74/09/79/383740979.db2.gz XXJLOSWENMANEC-MFKMUULPSA-N 2 0 267.442 2.674 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000174629687 379920700 /nfs/dbraw/zinc/92/07/00/379920700.db2.gz JONUKYBSLKMSFT-CZUORRHYSA-N 2 0 264.388 2.954 20 0 CFADRP Cc1cccc2ncc(C[N@H+]3CCCC34CC[NH+](C)CC4)n21 ZINC000335809467 379925090 /nfs/dbraw/zinc/92/50/90/379925090.db2.gz KOCCCURJVJBJJH-UHFFFAOYSA-N 2 0 298.434 2.703 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cc2)n1 ZINC000335779873 379875647 /nfs/dbraw/zinc/87/56/47/379875647.db2.gz YZOXRMOCMAYQMU-UGSOOPFHSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H]1C[C@@H](NCc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000174515329 379901117 /nfs/dbraw/zinc/90/11/17/379901117.db2.gz LIKSPENJVVRNTO-RYUDHWBXSA-N 2 0 291.420 2.975 20 0 CFADRP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998187 379953006 /nfs/dbraw/zinc/95/30/06/379953006.db2.gz LSRQIUXRRXZDBF-QMTHXVAHSA-N 2 0 250.773 2.608 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000335177583 379989603 /nfs/dbraw/zinc/98/96/03/379989603.db2.gz ISACSGGVSDLICI-RTYFJBAXSA-N 2 0 284.325 2.951 20 0 CFADRP Cc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)ccn1 ZINC000175085867 379992403 /nfs/dbraw/zinc/99/24/03/379992403.db2.gz QTKSETKWMUKPBU-ZDUSSCGKSA-N 2 0 261.369 2.593 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335217356 380024377 /nfs/dbraw/zinc/02/43/77/380024377.db2.gz MMCOPDCDOPHCFO-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000335241692 380065620 /nfs/dbraw/zinc/06/56/20/380065620.db2.gz VBTLAINAKWXORZ-GDBMZVCRSA-N 2 0 294.464 2.775 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000335241686 380065806 /nfs/dbraw/zinc/06/58/06/380065806.db2.gz UYAKIIGUGRCCBA-DOTOQJQBSA-N 2 0 292.398 2.544 20 0 CFADRP C[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@H]1[NH3+] ZINC000335899223 380072818 /nfs/dbraw/zinc/07/28/18/380072818.db2.gz RKXUGGRRZWYAHH-QMTHXVAHSA-N 2 0 262.328 2.741 20 0 CFADRP COc1ccc2oc(CN3CC[C@@H]([NH3+])[C@@H](C)C3)cc2c1 ZINC000335227235 380040537 /nfs/dbraw/zinc/04/05/37/380040537.db2.gz AQLSOHBFGCUJGB-XHDPSFHLSA-N 2 0 274.364 2.611 20 0 CFADRP Cc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432368010 383742324 /nfs/dbraw/zinc/74/23/24/383742324.db2.gz KJVOWZCPZHFFLF-INIZCTEOSA-N 2 0 276.424 2.586 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000335259587 380095712 /nfs/dbraw/zinc/09/57/12/380095712.db2.gz KNMUKGLXAYLXLE-RISCZKNCSA-N 2 0 252.789 2.879 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000335262267 380101581 /nfs/dbraw/zinc/10/15/81/380101581.db2.gz STHQUODAOKBAFK-YPMHNXCESA-N 2 0 258.365 2.971 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000177226728 380318233 /nfs/dbraw/zinc/31/82/33/380318233.db2.gz VVFULPZTIZFHDO-CYBMUJFWSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336345910 380325987 /nfs/dbraw/zinc/32/59/87/380325987.db2.gz MFVBNRGYGZOBAA-YVEFUNNKSA-N 2 0 274.383 2.911 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC000177319755 380328496 /nfs/dbraw/zinc/32/84/96/380328496.db2.gz CCEMQRXYTLXSBP-NVXWUHKLSA-N 2 0 282.472 2.638 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000178378116 380445713 /nfs/dbraw/zinc/44/57/13/380445713.db2.gz FDNDHKCDYXYSBP-FZMZJTMJSA-N 2 0 299.484 2.767 20 0 CFADRP C[C@H](O)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279093039 194281264 /nfs/dbraw/zinc/28/12/64/194281264.db2.gz NOUKEPHSDZEKJV-BQFCYCMXSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H](C)O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279093042 194281501 /nfs/dbraw/zinc/28/15/01/194281501.db2.gz NOUKEPHSDZEKJV-JZXOWHBKSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000178119487 380410905 /nfs/dbraw/zinc/41/09/05/380410905.db2.gz HFHIRDQQKOVUAN-CABCVRRESA-N 2 0 298.471 2.961 20 0 CFADRP COCCC[C@H](C)[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000178509823 380459355 /nfs/dbraw/zinc/45/93/55/380459355.db2.gz AFJNQMAOGIMRQL-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178698840 380478501 /nfs/dbraw/zinc/47/85/01/380478501.db2.gz DVZILCUJSMLLDS-QGZVFWFLSA-N 2 0 289.467 2.977 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000336614432 380551103 /nfs/dbraw/zinc/55/11/03/380551103.db2.gz IEEHZHCKHHTAHB-JXQTWKCFSA-N 2 0 268.445 2.795 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336786115 380631256 /nfs/dbraw/zinc/63/12/56/380631256.db2.gz HAPNXTMBQFUBJD-ZIAGYGMSSA-N 2 0 256.434 2.654 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(OC)cc1 ZINC000336786174 380631955 /nfs/dbraw/zinc/63/19/55/380631955.db2.gz BGIONHWVIOCOHF-DOMZBBRYSA-N 2 0 250.386 2.863 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCC(C)(C)CC1 ZINC000336786683 380632192 /nfs/dbraw/zinc/63/21/92/380632192.db2.gz CMPDLBHKVFPMJX-CQSZACIVSA-N 2 0 256.434 2.546 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000336794302 380641956 /nfs/dbraw/zinc/64/19/56/380641956.db2.gz BBXXXDQKBUJLJV-STQMWFEESA-N 2 0 250.386 2.719 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCOCC(C)C)CC1 ZINC000336806304 380664249 /nfs/dbraw/zinc/66/42/49/380664249.db2.gz QXTPEIOJTKIBSN-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(C)C ZINC000336817268 380679358 /nfs/dbraw/zinc/67/93/58/380679358.db2.gz PMWNQBVKWMHWKR-RBSFLKMASA-N 2 0 270.461 2.613 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2nccn2C(C)C)C1 ZINC000336823588 380694197 /nfs/dbraw/zinc/69/41/97/380694197.db2.gz QHEJUIVUVVQNIB-OAHLLOKOSA-N 2 0 278.444 2.628 20 0 CFADRP COc1ccc(F)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000295372413 380815721 /nfs/dbraw/zinc/81/57/21/380815721.db2.gz OLYVLKVSQULTCR-JSGCOSHPSA-N 2 0 280.387 2.749 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000295452851 380863235 /nfs/dbraw/zinc/86/32/35/380863235.db2.gz QFZNSHULHAUBGP-BBRMVZONSA-N 2 0 291.464 2.639 20 0 CFADRP c1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c[nH]1 ZINC000367967694 380869614 /nfs/dbraw/zinc/86/96/14/380869614.db2.gz VAKIGBCOLQTPLR-MOPGFXCFSA-N 2 0 295.430 2.969 20 0 CFADRP c1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC000367967697 380870548 /nfs/dbraw/zinc/87/05/48/380870548.db2.gz VAKIGBCOLQTPLR-RTBURBONSA-N 2 0 295.430 2.969 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000181728436 380876885 /nfs/dbraw/zinc/87/68/85/380876885.db2.gz XPSCPSRPRGTRPL-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(C)n2)[C@@H](C)C1 ZINC000287412652 380826111 /nfs/dbraw/zinc/82/61/11/380826111.db2.gz JQQHTHZUPRQQBJ-YOEHRIQHSA-N 2 0 275.440 2.643 20 0 CFADRP CCC1(CC)[C@H]([N@H+](C)CC2CC[NH2+]CC2)C[C@@H]1OC ZINC000346981155 380845418 /nfs/dbraw/zinc/84/54/18/380845418.db2.gz MPUNHLKZJJXCKM-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000367903174 380853408 /nfs/dbraw/zinc/85/34/08/380853408.db2.gz MRXBYYWBNRUYLH-MAUKXSAKSA-N 2 0 292.467 2.966 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2sccc2OC)CC1 ZINC000347023845 380887783 /nfs/dbraw/zinc/88/77/83/380887783.db2.gz QBABZQWOUMZXFM-UHFFFAOYSA-N 2 0 268.426 2.578 20 0 CFADRP Cc1ccncc1CCCN1CCn2c(nnc2C(C)C)C1 ZINC000368024377 380888634 /nfs/dbraw/zinc/88/86/34/380888634.db2.gz UCNXPVYWVQYLLT-UHFFFAOYSA-N 2 0 299.422 2.553 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347035945 380896858 /nfs/dbraw/zinc/89/68/58/380896858.db2.gz DRSAYOKGOMGZMN-OAHLLOKOSA-N 2 0 262.397 2.502 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358518589 380901324 /nfs/dbraw/zinc/90/13/24/380901324.db2.gz QWSNXGQMSOLAGK-UHFFFAOYSA-N 2 0 292.398 2.670 20 0 CFADRP CC(C)Cc1ncc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000347061105 380913595 /nfs/dbraw/zinc/91/35/95/380913595.db2.gz YMDCSLZZPVMENU-GFCCVEGCSA-N 2 0 281.469 2.901 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000341300013 380916380 /nfs/dbraw/zinc/91/63/80/380916380.db2.gz LMZBWXGEAAEIQN-AESZEHBQSA-N 2 0 282.472 2.779 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000347064900 380917985 /nfs/dbraw/zinc/91/79/85/380917985.db2.gz DKVKAAWENFWGOK-HOCLYGCPSA-N 2 0 276.424 2.871 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000347065366 380918302 /nfs/dbraw/zinc/91/83/02/380918302.db2.gz KRNNQEMJSGMUGR-ZDUSSCGKSA-N 2 0 298.377 2.946 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCNc2ccccn2)C1(C)C ZINC000181867177 380921860 /nfs/dbraw/zinc/92/18/60/380921860.db2.gz UOHJMNOMFUYSMY-ZIAGYGMSSA-N 2 0 277.412 2.677 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000347117981 380950445 /nfs/dbraw/zinc/95/04/45/380950445.db2.gz UZRNJJSTSDIGKU-GFCCVEGCSA-N 2 0 260.406 2.943 20 0 CFADRP CCN(CC)[C@H](C)C[NH2+]CCCc1ccc(C)nc1 ZINC000353914187 380952007 /nfs/dbraw/zinc/95/20/07/380952007.db2.gz KRYHUKVFEBZZMX-OAHLLOKOSA-N 3 0 263.429 2.643 20 0 CFADRP CCc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)o1 ZINC000353921211 380956265 /nfs/dbraw/zinc/95/62/65/380956265.db2.gz FIWTZDJQVXQLRO-UHFFFAOYSA-N 2 0 259.353 2.945 20 0 CFADRP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347137518 380963936 /nfs/dbraw/zinc/96/39/36/380963936.db2.gz UQZDMXSFZLJWCI-AWEZNQCLSA-N 2 0 262.397 2.646 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000182027780 380967373 /nfs/dbraw/zinc/96/73/73/380967373.db2.gz BSNPJPJQEHYYDN-HUUCEWRRSA-N 2 0 296.455 2.524 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@H+](C)C1CC[NH2+]CC1 ZINC000347159881 380975763 /nfs/dbraw/zinc/97/57/63/380975763.db2.gz GHUWUMOTNDWCRG-OAHLLOKOSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000368425792 381020991 /nfs/dbraw/zinc/02/09/91/381020991.db2.gz SOEBUIDHTMVUMV-SPUZQDLCSA-N 2 0 294.483 2.923 20 0 CFADRP COC1CC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000347195005 380997145 /nfs/dbraw/zinc/99/71/45/380997145.db2.gz SKSGDWHWNKBCRJ-UHFFFAOYSA-N 2 0 274.408 2.549 20 0 CFADRP C[NH2+]C[C@@H]1CCCN(Cc2ccc(OC)cc2Cl)C1 ZINC000347199231 380998839 /nfs/dbraw/zinc/99/88/39/380998839.db2.gz IRTFYEISEOXTQV-LBPRGKRZSA-N 2 0 282.815 2.780 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCCCO)CC1)CC(C)C ZINC000358744836 381049571 /nfs/dbraw/zinc/04/95/71/381049571.db2.gz NMJCRAGCENNJQP-UHFFFAOYSA-N 2 0 284.488 2.839 20 0 CFADRP Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)nc(C2CC2)n1 ZINC000341499224 381051089 /nfs/dbraw/zinc/05/10/89/381051089.db2.gz LAFYMURITXGHMR-TZMCWYRMSA-N 2 0 288.439 2.617 20 0 CFADRP CC(C)C1(C[NH2+][C@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000368464594 381034952 /nfs/dbraw/zinc/03/49/52/381034952.db2.gz BPGDHGWVTSXXJW-ZACQAIPSSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)CC[C@H]21 ZINC000368495279 381044606 /nfs/dbraw/zinc/04/46/06/381044606.db2.gz TUYQLNFAJCSPCB-QLFBSQMISA-N 2 0 250.430 2.981 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289645974 381082820 /nfs/dbraw/zinc/08/28/20/381082820.db2.gz HZHDZROABSKGJK-KBPBESRZSA-N 2 0 292.423 2.783 20 0 CFADRP Cc1[nH+]ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1Cl ZINC000354138006 381100678 /nfs/dbraw/zinc/10/06/78/381100678.db2.gz OZOWPDYLYDCXTC-NWDGAFQWSA-N 2 0 267.804 2.750 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)[C@H](C)O1 ZINC000295836838 381107743 /nfs/dbraw/zinc/10/77/43/381107743.db2.gz ZFDXAGUOALLVJD-XHHISWJOSA-N 2 0 288.435 2.805 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC(C)(C)C2)C[C@H](C)O1 ZINC000347387053 381115710 /nfs/dbraw/zinc/11/57/10/381115710.db2.gz CGFZKBAWQKRARB-OKILXGFUSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCC2CCOCC2)[C@H](C)C1 ZINC000347387010 381115879 /nfs/dbraw/zinc/11/58/79/381115879.db2.gz BWXHQYOZIGCDAN-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000354096749 381076705 /nfs/dbraw/zinc/07/67/05/381076705.db2.gz LJLWNYZUYPHBFN-OAHLLOKOSA-N 2 0 280.412 2.521 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(O)c2)C1 ZINC000354099012 381079053 /nfs/dbraw/zinc/07/90/53/381079053.db2.gz AICOFDMVUXMRRH-MRXNPFEDSA-N 2 0 274.408 2.556 20 0 CFADRP C[N@@H+](Cc1cc[nH]c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368814437 381140704 /nfs/dbraw/zinc/14/07/04/381140704.db2.gz SABZUPGMQNXUOV-UHFFFAOYSA-N 2 0 284.407 2.758 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000368952836 381167428 /nfs/dbraw/zinc/16/74/28/381167428.db2.gz XNIKYTAWAYWZQY-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCOC)C[C@H]1C ZINC000354218203 381146559 /nfs/dbraw/zinc/14/65/59/381146559.db2.gz AKSSYELJJMCWSP-CABCVRRESA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358930535 381162399 /nfs/dbraw/zinc/16/23/99/381162399.db2.gz IEHNMQQGUQSGMU-ZBFHGGJFSA-N 2 0 292.471 2.898 20 0 CFADRP COC1CC([NH2+]CC2CC[NH+](CCC(C)C)CC2)C1 ZINC000347407060 381129565 /nfs/dbraw/zinc/12/95/65/381129565.db2.gz CWMTVWKDNSAGBC-UHFFFAOYSA-N 2 0 268.445 2.512 20 0 CFADRP COC1CC([NH2+]Cc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000347470522 381173072 /nfs/dbraw/zinc/17/30/72/381173072.db2.gz PUZQAKBTGWGCAZ-UHFFFAOYSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCC23CCOCC3)C1 ZINC000369225917 381218003 /nfs/dbraw/zinc/21/80/03/381218003.db2.gz RORKKHLRMVXBQR-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP COc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1O ZINC000369114421 381195565 /nfs/dbraw/zinc/19/55/65/381195565.db2.gz BWQMMKHDDJAXOZ-UHFFFAOYSA-N 2 0 287.363 2.504 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCOCC2)C1 ZINC000354329328 381206381 /nfs/dbraw/zinc/20/63/81/381206381.db2.gz KYZAJORBNKKMBI-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000354331741 381208583 /nfs/dbraw/zinc/20/85/83/381208583.db2.gz RWYGNWURFBBAJR-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000347603835 381251435 /nfs/dbraw/zinc/25/14/35/381251435.db2.gz YLRLMWSUASCVRI-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CC(C)Cn1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000183357594 381260750 /nfs/dbraw/zinc/26/07/50/381260750.db2.gz VKHZYGIBPAJQTD-QGZVFWFLSA-N 2 0 292.471 2.845 20 0 CFADRP Fc1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(F)cn1 ZINC000296127591 381266863 /nfs/dbraw/zinc/26/68/63/381266863.db2.gz UGXMUZQEGOBNNA-UHFFFAOYSA-N 2 0 283.366 2.716 20 0 CFADRP COCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125480 381220107 /nfs/dbraw/zinc/22/01/07/381220107.db2.gz UFPNKAMKDKYXEU-FGTMMUONSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1C(C)(C)C1(C)C ZINC000354355036 381221332 /nfs/dbraw/zinc/22/13/32/381221332.db2.gz ZYIMVQDNFWEQRZ-CABCVRRESA-N 2 0 296.499 2.884 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000183233823 381242092 /nfs/dbraw/zinc/24/20/92/381242092.db2.gz IOERPNASCSOSMJ-CYBMUJFWSA-N 2 0 296.455 2.571 20 0 CFADRP Cc1ccc([C@@]2(C)CC[N@H+](CCn3ccnc3)C2)cc1 ZINC000369382562 381249636 /nfs/dbraw/zinc/24/96/36/381249636.db2.gz CDQLASKXJYZGJG-KRWDZBQOSA-N 2 0 269.392 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2COc3c(C)cccc3C2)[C@H](C)C1 ZINC000290097518 381297597 /nfs/dbraw/zinc/29/75/97/381297597.db2.gz HTPSNOBSUFPZHF-OIISXLGYSA-N 2 0 288.435 2.618 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cn[nH]c1 ZINC000296173259 381286153 /nfs/dbraw/zinc/28/61/53/381286153.db2.gz XTHIRUBMDXTZBM-AWEZNQCLSA-N 2 0 284.407 2.856 20 0 CFADRP O=C1CCC(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000347735901 381323985 /nfs/dbraw/zinc/32/39/85/381323985.db2.gz JNXJNAVEYGUHPY-UHFFFAOYSA-N 2 0 278.440 2.554 20 0 CFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H]1CCCOC1 ZINC000342424011 381324706 /nfs/dbraw/zinc/32/47/06/381324706.db2.gz DITRYCNOUZMKEK-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000347736325 381324948 /nfs/dbraw/zinc/32/49/48/381324948.db2.gz GDLRLGMFSMATDN-YJBOKZPZSA-N 2 0 289.467 2.567 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CCN2CCCCC2)CC1 ZINC000354535640 381327224 /nfs/dbraw/zinc/32/72/24/381327224.db2.gz AVMBLSBLWSQVFJ-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CCc1cc(CCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)on1 ZINC000347749775 381330130 /nfs/dbraw/zinc/33/01/30/381330130.db2.gz NGQJHOXYXSIRKP-MRXNPFEDSA-N 2 0 293.455 2.976 20 0 CFADRP CC[N@H+](CCc1cncn1C)CCc1ccccc1 ZINC000347753840 381334770 /nfs/dbraw/zinc/33/47/70/381334770.db2.gz VNGLEOBDTSXGAI-UHFFFAOYSA-N 2 0 257.381 2.527 20 0 CFADRP Cn1cc([C@H]2[C@@H](C[NH2+]C3CCCCC3)CCCN2C)cn1 ZINC000369672648 381311040 /nfs/dbraw/zinc/31/10/40/381311040.db2.gz QUXPNKZMWNUHBV-RHSMWYFYSA-N 2 0 290.455 2.725 20 0 CFADRP C([NH2+]CC1CCOCC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369704897 381316713 /nfs/dbraw/zinc/31/67/13/381316713.db2.gz SPLHUTFTQQFVCA-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000359318524 381346359 /nfs/dbraw/zinc/34/63/59/381346359.db2.gz YQPYCQHIKIJIGS-BFHYXJOUSA-N 2 0 266.454 2.917 20 0 CFADRP C[C@H](CF)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290243319 381355748 /nfs/dbraw/zinc/35/57/48/381355748.db2.gz UWHKXXNXSMKYJD-IIAWOOMASA-N 2 0 264.388 2.845 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359343715 381363569 /nfs/dbraw/zinc/36/35/69/381363569.db2.gz PQHBSZVZEUYEFF-OLZOCXBDSA-N 2 0 252.427 2.529 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359343720 381363590 /nfs/dbraw/zinc/36/35/90/381363590.db2.gz PQHBSZVZEUYEFF-QWHCGFSZSA-N 2 0 252.427 2.529 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC=CO2)CCN1Cc1ccccc1 ZINC000290279788 381368125 /nfs/dbraw/zinc/36/81/25/381368125.db2.gz YZNKIOAOWOLKSX-NXHRZFHOSA-N 2 0 286.419 2.932 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(F)ccc2F)C1 ZINC000290291779 381371312 /nfs/dbraw/zinc/37/13/12/381371312.db2.gz ALKNVPIHFYAVGD-WBMJQRKESA-N 2 0 280.362 2.881 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccco2)[C@@H](C)C1 ZINC000359432799 381411525 /nfs/dbraw/zinc/41/15/25/381411525.db2.gz WVFSSYLDXAROOY-RDJZCZTQSA-N 2 0 294.439 2.549 20 0 CFADRP CCc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000347864863 381386062 /nfs/dbraw/zinc/38/60/62/381386062.db2.gz YGWIVTWMPBOBNA-QGZVFWFLSA-N 2 0 275.440 2.950 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2CCCC2)[C@@H](C)C1 ZINC000354673843 381398354 /nfs/dbraw/zinc/39/83/54/381398354.db2.gz NQKGRBLEDGVLHB-UAGQMJEPSA-N 2 0 282.472 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)[C@H](C)C1 ZINC000354673841 381398642 /nfs/dbraw/zinc/39/86/42/381398642.db2.gz NQKGRBLEDGVLHB-PVAVHDDUSA-N 2 0 282.472 2.590 20 0 CFADRP C[C@H](CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000184496898 381423057 /nfs/dbraw/zinc/42/30/57/381423057.db2.gz XOMUFMWTSPXPPS-QBPKDAKJSA-N 3 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]CC2CCOCC2)[C@H]1c1ccccc1 ZINC000370310665 381426638 /nfs/dbraw/zinc/42/66/38/381426638.db2.gz RPEVYLBPMPODCB-ZWKOTPCHSA-N 2 0 288.435 2.696 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290456095 381435321 /nfs/dbraw/zinc/43/53/21/381435321.db2.gz MQLMBMKXQKDWSO-XJKSGUPXSA-N 2 0 264.388 2.906 20 0 CFADRP Fc1ccc2c(c1)nccc2NCC[NH+]1CCCC1 ZINC000359509292 381442500 /nfs/dbraw/zinc/44/25/00/381442500.db2.gz PRPJSPQHLLLAGH-UHFFFAOYSA-N 2 0 259.328 2.882 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342628218 381442665 /nfs/dbraw/zinc/44/26/65/381442665.db2.gz QUGDMJONTYMOLV-CVEARBPZSA-N 2 0 276.424 2.774 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342628220 381442986 /nfs/dbraw/zinc/44/29/86/381442986.db2.gz QUGDMJONTYMOLV-HOTGVXAUSA-N 2 0 276.424 2.774 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CC2CCCC2)C1 ZINC000354836042 381477379 /nfs/dbraw/zinc/47/73/79/381477379.db2.gz AIELKJKJJUCJBL-ZWKOTPCHSA-N 2 0 294.483 2.591 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000370505796 381459100 /nfs/dbraw/zinc/45/91/00/381459100.db2.gz YRCDWXSQMZLCFX-GOSISDBHSA-N 3 0 293.499 2.669 20 0 CFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359615969 381510065 /nfs/dbraw/zinc/51/00/65/381510065.db2.gz ASUNIVRTUQPCBO-AEFFLSMTSA-N 2 0 289.467 2.833 20 0 CFADRP COc1ccccc1CN1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000290591137 381491808 /nfs/dbraw/zinc/49/18/08/381491808.db2.gz VHKXRPZYUPVZCC-HOCLYGCPSA-N 2 0 274.408 2.611 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)C/C=C/c1ccccc1 ZINC000290610967 381497187 /nfs/dbraw/zinc/49/71/87/381497187.db2.gz WNJIPIKNBBNDIQ-WNEOQSQQSA-N 2 0 258.409 2.972 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)COC ZINC000348311832 381499342 /nfs/dbraw/zinc/49/93/42/381499342.db2.gz JTEOGEZEFFMZBE-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[C@H]1CCCCO1 ZINC000354988471 381552782 /nfs/dbraw/zinc/55/27/82/381552782.db2.gz OLGRJDDNWQVXDA-ARFHVFGLSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@@H+](Cc1cnc(C(C)(C)C)nc1)CC1CC[NH+](C)CC1 ZINC000342776806 381533102 /nfs/dbraw/zinc/53/31/02/381533102.db2.gz IGAQCOMMFQOMHM-UHFFFAOYSA-N 2 0 290.455 2.548 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CCC[NH+](C)C)cc1F ZINC000185266167 381582630 /nfs/dbraw/zinc/58/26/30/381582630.db2.gz JPUAZOACFJDGKD-ZDUSSCGKSA-N 2 0 282.403 2.554 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000185196954 381561014 /nfs/dbraw/zinc/56/10/14/381561014.db2.gz UPUTZNRYVLIPHM-NUEKZKHPSA-N 2 0 280.456 2.652 20 0 CFADRP COCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[C@H](C)C1 ZINC000414752808 381602289 /nfs/dbraw/zinc/60/22/89/381602289.db2.gz LJBZIPJGVKPJOK-JJXSEGSLSA-N 2 0 268.445 2.512 20 0 CFADRP COCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[C@H](C)C1 ZINC000414752813 381602708 /nfs/dbraw/zinc/60/27/08/381602708.db2.gz LJBZIPJGVKPJOK-ZJIFWQFVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c(C)c2Cl)C[C@@H]1C ZINC000355090986 381606086 /nfs/dbraw/zinc/60/60/86/381606086.db2.gz HUEIARZKQZKCSC-QWRGUYRKSA-N 2 0 267.804 2.962 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccncc1)CC2)C1CC1 ZINC000371329702 381593880 /nfs/dbraw/zinc/59/38/80/381593880.db2.gz MNIGSDOGHNVAOR-MRXNPFEDSA-N 2 0 285.435 2.778 20 0 CFADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCOC1 ZINC000355073589 381596123 /nfs/dbraw/zinc/59/61/23/381596123.db2.gz ZMEHXPWVWKHLBP-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1CN(CC[NH2+]C(C)(C)C)c2cc(F)ccc2C[NH2+]1 ZINC000414876034 381609573 /nfs/dbraw/zinc/60/95/73/381609573.db2.gz VIDUFCXFFIKQBD-LBPRGKRZSA-N 2 0 279.403 2.512 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414899457 381611770 /nfs/dbraw/zinc/61/17/70/381611770.db2.gz CJZCXGAIMDAQJB-ULQDDVLXSA-N 2 0 258.409 2.597 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414925270 381614077 /nfs/dbraw/zinc/61/40/77/381614077.db2.gz IIUFNYWRWGDITM-OWCLPIDISA-N 2 0 281.488 2.665 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414934695 381625256 /nfs/dbraw/zinc/62/52/56/381625256.db2.gz VIJJSZZPIWGBPX-ZNMIVQPWSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2)CC[NH2+]1 ZINC000414946022 381635723 /nfs/dbraw/zinc/63/57/23/381635723.db2.gz JEOQEPVWTZEZID-ZFWWWQNUSA-N 2 0 264.438 2.650 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)CC[NH2+]1 ZINC000414945657 381635740 /nfs/dbraw/zinc/63/57/40/381635740.db2.gz IOUKAFBTRBKWJS-CVEARBPZSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)CC[NH2+]1 ZINC000414944549 381635759 /nfs/dbraw/zinc/63/57/59/381635759.db2.gz GZGGMEWBPRCQDY-ZYHUDNBSSA-N 2 0 270.323 2.518 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945124 381636095 /nfs/dbraw/zinc/63/60/95/381636095.db2.gz QZDAGPDAMSMVJC-KCQAQPDRSA-N 2 0 278.465 2.927 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(-c2nccn2C)c1)C1CC1 ZINC000371447003 381630265 /nfs/dbraw/zinc/63/02/65/381630265.db2.gz IHXPGBMNWDIRPX-LBPRGKRZSA-N 2 0 255.365 2.975 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000414939069 381630154 /nfs/dbraw/zinc/63/01/54/381630154.db2.gz JCVTYLYQWOONNQ-IWCQGFGOSA-N 2 0 258.409 2.910 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)C[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000414941587 381631922 /nfs/dbraw/zinc/63/19/22/381631922.db2.gz AUPBMWIJWFKYBI-BZUAXINKSA-N 2 0 270.461 2.805 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414942795 381633691 /nfs/dbraw/zinc/63/36/91/381633691.db2.gz MYVAMOBEWZYDTO-OIISXLGYSA-N 2 0 260.425 2.904 20 0 CFADRP COC[C@]1(C[NH2+]CCC2CCCCCC2)CCC[NH2+]1 ZINC000414954593 381646809 /nfs/dbraw/zinc/64/68/09/381646809.db2.gz LMPLDESJDKJKQB-MRXNPFEDSA-N 2 0 268.445 2.705 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000371517824 381649356 /nfs/dbraw/zinc/64/93/56/381649356.db2.gz FZYHLJBAFMTAKR-OKZBNKHCSA-N 2 0 288.435 2.694 20 0 CFADRP CCOc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OCC ZINC000414948461 381638960 /nfs/dbraw/zinc/63/89/60/381638960.db2.gz YKLSKUGZSZOLBV-UHFFFAOYSA-N 2 0 292.423 2.716 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414947389 381639418 /nfs/dbraw/zinc/63/94/18/381639418.db2.gz KTMYFHCELCNELX-WCQYABFASA-N 2 0 250.411 2.639 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414947606 381639449 /nfs/dbraw/zinc/63/94/49/381639449.db2.gz KXMXYLOUWZKMCE-UKRRQHHQSA-N 2 0 262.397 2.706 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414949261 381640987 /nfs/dbraw/zinc/64/09/87/381640987.db2.gz NJDCWXOPOLHHTH-JOCBIADPSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414949258 381641079 /nfs/dbraw/zinc/64/10/79/381641079.db2.gz NJDCWXOPOLHHTH-AHCXZYCDSA-N 2 0 287.451 2.552 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414954735 381646401 /nfs/dbraw/zinc/64/64/01/381646401.db2.gz KRUMNMHHPJBZFJ-RHSMWYFYSA-N 2 0 276.424 2.809 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414961548 381655494 /nfs/dbraw/zinc/65/54/94/381655494.db2.gz IPUOEWHQPPIBQE-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000414963847 381660572 /nfs/dbraw/zinc/66/05/72/381660572.db2.gz DCWGPKBWDBRGBY-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414965096 381661534 /nfs/dbraw/zinc/66/15/34/381661534.db2.gz NAEAVSSJEYWIJU-HIFRSBDPSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000414966508 381663669 /nfs/dbraw/zinc/66/36/69/381663669.db2.gz GKTRCIXPGNLBMS-SWLSCSKDSA-N 2 0 264.388 2.907 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414966515 381664313 /nfs/dbraw/zinc/66/43/13/381664313.db2.gz GMHVAVRRMRXYIB-HNNXBMFYSA-N 2 0 250.361 2.756 20 0 CFADRP FC1(F)Oc2cccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c2O1 ZINC000414970288 381666258 /nfs/dbraw/zinc/66/62/58/381666258.db2.gz UOSATNXPHSIAEW-GFCCVEGCSA-N 2 0 298.333 2.630 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414970190 381666332 /nfs/dbraw/zinc/66/63/32/381666332.db2.gz KDRHXDJTWKNBFM-HRCADAONSA-N 2 0 258.409 2.768 20 0 CFADRP CCOc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414976854 381670821 /nfs/dbraw/zinc/67/08/21/381670821.db2.gz QMQUDKXNKGGLNN-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414975545 381670974 /nfs/dbraw/zinc/67/09/74/381670974.db2.gz OSRCEBZWYUFNDY-RKLPNKIQSA-N 2 0 262.372 2.961 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414975549 381671493 /nfs/dbraw/zinc/67/14/93/381671493.db2.gz OSRCEBZWYUFNDY-YDOVZFOCSA-N 2 0 262.372 2.961 20 0 CFADRP CC(C)[C@@H](C)[NH+](C)CCOCC[N@@H+](C)[C@@H](C)C(C)C ZINC000343288133 381672025 /nfs/dbraw/zinc/67/20/25/381672025.db2.gz VFLNOLIUTQFLCC-IYBDPMFKSA-N 2 0 272.477 2.956 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000343270640 381672452 /nfs/dbraw/zinc/67/24/52/381672452.db2.gz FMLUJJWTZLDOER-LESCRADOSA-N 2 0 270.420 2.864 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000414957987 381652645 /nfs/dbraw/zinc/65/26/45/381652645.db2.gz CHPVVMGHAIILAV-RHSMWYFYSA-N 2 0 275.440 2.978 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414959188 381653999 /nfs/dbraw/zinc/65/39/99/381653999.db2.gz PVGDANVBYNINLT-HYVNUMGLSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000415019044 381713364 /nfs/dbraw/zinc/71/33/64/381713364.db2.gz VKRHJVHJNVKQAQ-LBPRGKRZSA-N 2 0 290.386 2.823 20 0 CFADRP C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724317 381715346 /nfs/dbraw/zinc/71/53/46/381715346.db2.gz WNDCLYWGEDFXMZ-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000415019998 381715251 /nfs/dbraw/zinc/71/52/51/381715251.db2.gz FTXKUFXKOVBVFX-SHTZXODSSA-N 2 0 298.434 2.931 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415020871 381715330 /nfs/dbraw/zinc/71/53/30/381715330.db2.gz XZAJWMYZEATRAD-UONOGXRCSA-N 2 0 288.439 2.991 20 0 CFADRP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724351 381715615 /nfs/dbraw/zinc/71/56/15/381715615.db2.gz WNDCLYWGEDFXMZ-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCCC(F)(F)F)CC[NH2+]CC1 ZINC000414983159 381676800 /nfs/dbraw/zinc/67/68/00/381676800.db2.gz YVNFYTDKRPSVES-GFCCVEGCSA-N 2 0 296.377 2.713 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414985748 381678680 /nfs/dbraw/zinc/67/86/80/381678680.db2.gz HVWKSYYNOBORDZ-HIFRSBDPSA-N 2 0 291.439 2.854 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000414986836 381681889 /nfs/dbraw/zinc/68/18/89/381681889.db2.gz CPRORYSJHORASO-GXTWGEPZSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355217507 381685571 /nfs/dbraw/zinc/68/55/71/381685571.db2.gz WZQIQQSLUVTRTI-KZNAEPCWSA-N 2 0 288.435 2.679 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414991044 381685714 /nfs/dbraw/zinc/68/57/14/381685714.db2.gz PYUJCAPKDPSCNF-KKUMJFAQSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000415022467 381716512 /nfs/dbraw/zinc/71/65/12/381716512.db2.gz ZQKHJXIMFPBTHH-GFCCVEGCSA-N 2 0 292.452 2.756 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000415022670 381716528 /nfs/dbraw/zinc/71/65/28/381716528.db2.gz ZYLCUROMKMEGMR-CYBMUJFWSA-N 2 0 250.386 2.692 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414995571 381687936 /nfs/dbraw/zinc/68/79/36/381687936.db2.gz NNPVRZIXZASVJZ-JQWIXIFHSA-N 2 0 265.426 2.628 20 0 CFADRP COc1ccc(C)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000355218315 381688110 /nfs/dbraw/zinc/68/81/10/381688110.db2.gz HSHVOBNMFULTJD-DOTOQJQBSA-N 2 0 288.435 2.920 20 0 CFADRP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414997970 381689572 /nfs/dbraw/zinc/68/95/72/381689572.db2.gz QHPQUPJLDAIXCE-UKRRQHHQSA-N 2 0 292.423 2.619 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1F ZINC000415022787 381716680 /nfs/dbraw/zinc/71/66/80/381716680.db2.gz JNBQEUNEZWTLSC-HDJSIYSDSA-N 2 0 264.388 2.989 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002550 381694843 /nfs/dbraw/zinc/69/48/43/381694843.db2.gz DVGFZPRJBUIGRW-OAUYIBNBSA-N 2 0 276.399 2.734 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000415003104 381695036 /nfs/dbraw/zinc/69/50/36/381695036.db2.gz WOGQHVDVSHHNFA-DZGCQCFKSA-N 2 0 292.423 2.701 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000415004570 381696202 /nfs/dbraw/zinc/69/62/02/381696202.db2.gz OIPAJOLVAADOFN-PWSUYJOCSA-N 2 0 298.333 2.615 20 0 CFADRP C[N@H+](CCCc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000348754923 381696289 /nfs/dbraw/zinc/69/62/89/381696289.db2.gz DGUXMIPGJJUHFU-MRXNPFEDSA-N 2 0 264.388 2.832 20 0 CFADRP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415003641 381697071 /nfs/dbraw/zinc/69/70/71/381697071.db2.gz NKSNVJOXLPGLIA-RYUDHWBXSA-N 2 0 267.442 2.874 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415005139 381698636 /nfs/dbraw/zinc/69/86/36/381698636.db2.gz YZMMLPSEVXLMHI-STQMWFEESA-N 2 0 284.350 2.895 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000415012180 381706062 /nfs/dbraw/zinc/70/60/62/381706062.db2.gz IWZWAGWPJGYNKU-UONOGXRCSA-N 2 0 262.397 2.660 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@H](C)CCCC[NH3+] ZINC000415013809 381707735 /nfs/dbraw/zinc/70/77/35/381707735.db2.gz LAJMFERHPKGZMA-JKEYDSJLSA-N 2 0 262.397 2.816 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC000415073788 381758208 /nfs/dbraw/zinc/75/82/08/381758208.db2.gz BNFGDBACJFIQCP-NWDGAFQWSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000415039757 381729048 /nfs/dbraw/zinc/72/90/48/381729048.db2.gz OCRPDNSYMUHZGK-DGCLKSJQSA-N 2 0 297.240 2.975 20 0 CFADRP CC1(c2ccccc2)CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415039573 381729228 /nfs/dbraw/zinc/72/92/28/381729228.db2.gz PIGWKJFMQRFGSD-BXXFKTFBSA-N 2 0 270.420 2.694 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000415042795 381730861 /nfs/dbraw/zinc/73/08/61/381730861.db2.gz REORIKBRDZZINE-DGCLKSJQSA-N 2 0 272.314 2.922 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000415044740 381733247 /nfs/dbraw/zinc/73/32/47/381733247.db2.gz BUTGLDXIYPYUSI-BMGDILEWSA-N 2 0 289.467 2.569 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000415046008 381733578 /nfs/dbraw/zinc/73/35/78/381733578.db2.gz UUPWJKGPTSDDIX-KOLCDFICSA-N 2 0 279.384 2.652 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415049263 381734449 /nfs/dbraw/zinc/73/44/49/381734449.db2.gz XRIFEEIXEXFNFG-HIFRSBDPSA-N 2 0 292.423 2.701 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3CC3)C[C@H]2[C@H]1c1ccccc1 ZINC000372010369 381734882 /nfs/dbraw/zinc/73/48/82/381734882.db2.gz NZECXXWZDIYJRV-BRWVUGGUSA-N 2 0 256.393 2.631 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000415048359 381735232 /nfs/dbraw/zinc/73/52/32/381735232.db2.gz WUUQXRAUSDXQSN-ZYHUDNBSSA-N 2 0 288.313 2.802 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)ccc2n1 ZINC000415051365 381735831 /nfs/dbraw/zinc/73/58/31/381735831.db2.gz ZHLXCRLQEYUFQZ-BBRMVZONSA-N 2 0 269.392 2.760 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000415049679 381736979 /nfs/dbraw/zinc/73/69/79/381736979.db2.gz XTRGGMTWMHZRDP-WNYYMSAVSA-N 2 0 264.335 2.825 20 0 CFADRP Cc1ncccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415051919 381738792 /nfs/dbraw/zinc/73/87/92/381738792.db2.gz JXQAOEYUEGCWCV-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)COC2 ZINC000360031090 381740101 /nfs/dbraw/zinc/74/01/01/381740101.db2.gz YVXUHBDRXCARLE-KKXDTOCCSA-N 2 0 286.419 2.994 20 0 CFADRP Cc1ccc(NC[C@@H]([NH3+])CC(C)C)c(C[NH+](C)C)c1 ZINC000415066239 381751041 /nfs/dbraw/zinc/75/10/41/381751041.db2.gz AFPKMDFBSNLVSN-HNNXBMFYSA-N 2 0 263.429 2.842 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1N1CCCCC1 ZINC000415068744 381754122 /nfs/dbraw/zinc/75/41/22/381754122.db2.gz WLBMOPKADIZSDX-OAHLLOKOSA-N 2 0 275.440 2.894 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H](C)CCC[NH3+])ccc2n1 ZINC000415024829 381718404 /nfs/dbraw/zinc/71/84/04/381718404.db2.gz PQRCSTJWGXFYOZ-LBPRGKRZSA-N 2 0 257.381 2.760 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000415026150 381718433 /nfs/dbraw/zinc/71/84/33/381718433.db2.gz SQDZSVMUYPVVOA-LLVKDONJSA-N 2 0 272.339 2.548 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000415028061 381720175 /nfs/dbraw/zinc/72/01/75/381720175.db2.gz CCKJGPBCOPDAPP-BDAKNGLRSA-N 2 0 278.343 2.984 20 0 CFADRP CCSCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743952 381721196 /nfs/dbraw/zinc/72/11/96/381721196.db2.gz HRRVCBQMTIXNCR-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415029956 381721440 /nfs/dbraw/zinc/72/14/40/381721440.db2.gz FHMHLDNZARIFFF-GHMZBOCLSA-N 2 0 267.442 2.658 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415028987 381722134 /nfs/dbraw/zinc/72/21/34/381722134.db2.gz ZQYLVMDLXKKTIT-CYBMUJFWSA-N 2 0 250.386 2.691 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415032290 381723204 /nfs/dbraw/zinc/72/32/04/381723204.db2.gz ABQVQLPSBOLSLD-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(Cl)c1OC ZINC000415034104 381725083 /nfs/dbraw/zinc/72/50/83/381725083.db2.gz JIVDFOQSIPOZCR-JQWIXIFHSA-N 2 0 298.814 2.574 20 0 CFADRP c1ccc(C2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415033838 381725218 /nfs/dbraw/zinc/72/52/18/381725218.db2.gz HLBHGMBSGKICIJ-ABHNRTSZSA-N 2 0 288.435 2.681 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415035039 381725369 /nfs/dbraw/zinc/72/53/69/381725369.db2.gz KJVCLVBDPILOIR-YPMHNXCESA-N 2 0 282.815 2.956 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000415038887 381726236 /nfs/dbraw/zinc/72/62/36/381726236.db2.gz NUIGPZKSNOGCNY-GXTWGEPZSA-N 2 0 271.364 2.559 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1F ZINC000415037373 381726754 /nfs/dbraw/zinc/72/67/54/381726754.db2.gz KZVSSEKXBOSKPX-BLLLJJGKSA-N 2 0 294.414 2.743 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104098 381783583 /nfs/dbraw/zinc/78/35/83/381783583.db2.gz GMAWWRNEMRYLCC-NUEKZKHPSA-N 2 0 268.445 2.641 20 0 CFADRP Cc1ccc(NC2CCC([NH3+])CC2)c(C[NH+](C)C)c1 ZINC000415112078 381786772 /nfs/dbraw/zinc/78/67/72/381786772.db2.gz CUCIXRNZPLGWAS-UHFFFAOYSA-N 2 0 261.413 2.738 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1(CO)CCCC1 ZINC000415109359 381786918 /nfs/dbraw/zinc/78/69/18/381786918.db2.gz RCYDGNUDIPPKGW-BZUAXINKSA-N 2 0 282.472 2.541 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000415108843 381786964 /nfs/dbraw/zinc/78/69/64/381786964.db2.gz PGOBCXPJZONJGK-CJNGLKHVSA-N 3 0 293.430 2.508 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[NH2+]C(C)(C)C ZINC000415116713 381788105 /nfs/dbraw/zinc/78/81/05/381788105.db2.gz WFXJGAYMUHTRBU-AWEZNQCLSA-N 2 0 263.429 2.771 20 0 CFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415112859 381788680 /nfs/dbraw/zinc/78/86/80/381788680.db2.gz SNGSLQWWQNBODG-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP c1ccc(C[NH+]2CCCCCC2)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000415112712 381788942 /nfs/dbraw/zinc/78/89/42/381788942.db2.gz DHLAUQXCLHACNK-SFHVURJKSA-N 2 0 287.451 2.514 20 0 CFADRP C[C@@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)c1ccc(F)cc1F ZINC000415116667 381788999 /nfs/dbraw/zinc/78/89/99/381788999.db2.gz UZACMTPOLNGGSY-NHYWBVRUSA-N 2 0 268.351 2.658 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000415119860 381790070 /nfs/dbraw/zinc/79/00/70/381790070.db2.gz XYHGRGMZLZEZEI-OCCSQVGLSA-N 2 0 250.361 2.612 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000343548761 381790195 /nfs/dbraw/zinc/79/01/95/381790195.db2.gz AAKKTKPSKTWHBQ-PVAVHDDUSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000415122315 381792175 /nfs/dbraw/zinc/79/21/75/381792175.db2.gz IBUKPWOZPYGRSJ-WCQYABFASA-N 2 0 284.350 2.705 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000415121986 381792319 /nfs/dbraw/zinc/79/23/19/381792319.db2.gz HXEFRYBYSJOCME-MLGOLLRUSA-N 2 0 276.424 2.729 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415121410 381792629 /nfs/dbraw/zinc/79/26/29/381792629.db2.gz HDNJPJAIWNEKLW-HOCLYGCPSA-N 2 0 298.434 2.802 20 0 CFADRP Cc1[nH+]ccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1Cl ZINC000355671603 381793158 /nfs/dbraw/zinc/79/31/58/381793158.db2.gz PZBFNOWCWZGKOE-CYBMUJFWSA-N 2 0 267.804 2.820 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415129928 381798549 /nfs/dbraw/zinc/79/85/49/381798549.db2.gz ZYDRCKFTOHZPTF-MAUKXSAKSA-N 2 0 298.434 2.552 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415074526 381761083 /nfs/dbraw/zinc/76/10/83/381761083.db2.gz ALEPYEFAPZFKEF-OAHLLOKOSA-N 2 0 252.377 2.640 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415076039 381762798 /nfs/dbraw/zinc/76/27/98/381762798.db2.gz RGPPHLCMRXPTRI-ZFWWWQNUSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CC[NH2+]1 ZINC000415078618 381762923 /nfs/dbraw/zinc/76/29/23/381762923.db2.gz GRRJCVCYXYJREZ-KLHDSHLOSA-N 2 0 282.472 2.805 20 0 CFADRP COc1ccccc1SC[C@@H](C)C[NH2+]CC(C)(C)[NH3+] ZINC000415081390 381765066 /nfs/dbraw/zinc/76/50/66/381765066.db2.gz MXHWVSWDFKPCFK-LBPRGKRZSA-N 2 0 282.453 2.750 20 0 CFADRP [NH3+]C1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000415083425 381769064 /nfs/dbraw/zinc/76/90/64/381769064.db2.gz FHYKHHASMUAMQX-UHFFFAOYSA-N 2 0 252.789 2.742 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000415085943 381770862 /nfs/dbraw/zinc/77/08/62/381770862.db2.gz RIWMUTHTTASKNS-OWCLPIDISA-N 2 0 298.434 2.911 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCc2ccccc2C1 ZINC000355435039 381771061 /nfs/dbraw/zinc/77/10/61/381771061.db2.gz HZFACTYUCLZAJM-QGZVFWFLSA-N 2 0 258.409 2.919 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415085325 381771211 /nfs/dbraw/zinc/77/12/11/381771211.db2.gz SIHHCVCHSZKXOQ-MJBXVCDLSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000415085809 381771664 /nfs/dbraw/zinc/77/16/64/381771664.db2.gz RBQAANQLWWJNNL-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC000415087694 381772904 /nfs/dbraw/zinc/77/29/04/381772904.db2.gz WJDVHKKHRZOXIO-NWDGAFQWSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415088261 381773861 /nfs/dbraw/zinc/77/38/61/381773861.db2.gz WAEYULSXALAEMJ-DOTOQJQBSA-N 2 0 298.434 2.535 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349037009 381799747 /nfs/dbraw/zinc/79/97/47/381799747.db2.gz QOAJGUVUPORHAZ-DLBZAZTESA-N 2 0 295.515 2.771 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000343595348 381824586 /nfs/dbraw/zinc/82/45/86/381824586.db2.gz JUJXVYOFZACGBZ-UHFFFAOYSA-N 2 0 278.444 2.546 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000343614745 381842194 /nfs/dbraw/zinc/84/21/94/381842194.db2.gz SCECHCFSZADYQE-HOTGVXAUSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000415136856 381804102 /nfs/dbraw/zinc/80/41/02/381804102.db2.gz HZVIAEDCZNOPEC-VNQPRFMTSA-N 2 0 291.414 2.525 20 0 CFADRP COC1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000361562828 381843901 /nfs/dbraw/zinc/84/39/01/381843901.db2.gz JEOSGAFJMPRLJV-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1c[nH+]ccc1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000343643498 381864415 /nfs/dbraw/zinc/86/44/15/381864415.db2.gz DUSZVZBTOGDGRI-QGZVFWFLSA-N 2 0 281.403 2.753 20 0 CFADRP CCN1C[C@H]([NH2+]CCCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000343649563 381867554 /nfs/dbraw/zinc/86/75/54/381867554.db2.gz YYRAIKNZIYZVSZ-YOEHRIQHSA-N 2 0 276.424 2.558 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCc2ccc(OC)cc2)C1 ZINC000343649559 381868699 /nfs/dbraw/zinc/86/86/99/381868699.db2.gz YYRAIKNZIYZVSZ-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](C)C2CCN(CC)CC2)CCO1 ZINC000356934205 381912120 /nfs/dbraw/zinc/91/21/20/381912120.db2.gz YKSUPUIIMHBCCX-GOEBONIOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)[C@@H](c1ccccc1)N(C)C ZINC000349383494 381920352 /nfs/dbraw/zinc/92/03/52/381920352.db2.gz VAQMOZQWIUIKAG-FSDCSDTHSA-N 2 0 276.424 2.835 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000186509105 381931176 /nfs/dbraw/zinc/93/11/76/381931176.db2.gz JADVJZXNLNRVRS-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186600685 381960138 /nfs/dbraw/zinc/96/01/38/381960138.db2.gz BBRIUYWCMWEIPW-ULQDDVLXSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186601657 381961734 /nfs/dbraw/zinc/96/17/34/381961734.db2.gz UJHHESHMJNDVGM-CKEIUWERSA-N 2 0 290.451 2.732 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000357025141 381970965 /nfs/dbraw/zinc/97/09/65/381970965.db2.gz YQNYPMVHILFZEB-RSJGLCBASA-N 2 0 294.483 2.996 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000356989143 381944233 /nfs/dbraw/zinc/94/42/33/381944233.db2.gz LAGZWQVCVGQARS-WBVHZDCISA-N 2 0 282.472 2.998 20 0 CFADRP [NH3+]CCOCC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000357076538 381999037 /nfs/dbraw/zinc/99/90/37/381999037.db2.gz JXNQHFUZPYGYAK-UHFFFAOYSA-N 2 0 298.377 2.685 20 0 CFADRP Cc1cccc([C@H]2CCCCC[N@@H+]2CCOCC[NH3+])c1 ZINC000357082237 382000939 /nfs/dbraw/zinc/00/09/39/382000939.db2.gz OXSQXYLNUSOWMS-QGZVFWFLSA-N 2 0 276.424 2.887 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308658 382001320 /nfs/dbraw/zinc/00/13/20/382001320.db2.gz GPJVUOLQINGKBN-WJTFHPDPSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357084193 382003110 /nfs/dbraw/zinc/00/31/10/382003110.db2.gz ZGBSZZRNMMTRBM-QWHCGFSZSA-N 2 0 284.831 2.739 20 0 CFADRP [NH3+]CCOCC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000357087634 382003415 /nfs/dbraw/zinc/00/34/15/382003415.db2.gz WKUBVEZRTFEVHU-UHFFFAOYSA-N 2 0 296.842 2.570 20 0 CFADRP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc[nH+]1 ZINC000373455737 382009512 /nfs/dbraw/zinc/00/95/12/382009512.db2.gz WTILHPIRCCBAGD-KRWDZBQOSA-N 2 0 296.418 2.531 20 0 CFADRP Cc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293072177 381978852 /nfs/dbraw/zinc/97/88/52/381978852.db2.gz VODLMBFKCQDERB-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP CCOc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357039916 381982678 /nfs/dbraw/zinc/98/26/78/381982678.db2.gz BJXGNGXAVXDEDG-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362263322 381983256 /nfs/dbraw/zinc/98/32/56/381983256.db2.gz STTVBFJCRYHVGC-HUUCEWRRSA-N 2 0 296.455 2.524 20 0 CFADRP COCc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357051867 381988926 /nfs/dbraw/zinc/98/89/26/381988926.db2.gz NGFUFQDESDOWFL-GOSISDBHSA-N 2 0 288.435 2.655 20 0 CFADRP COCc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357051868 381989555 /nfs/dbraw/zinc/98/95/55/381989555.db2.gz NGFUFQDESDOWFL-SFHVURJKSA-N 2 0 288.435 2.655 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357056941 381990742 /nfs/dbraw/zinc/99/07/42/381990742.db2.gz SRBPGEKHNYCBJR-INIZCTEOSA-N 2 0 274.408 2.517 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374325077 382043326 /nfs/dbraw/zinc/04/33/26/382043326.db2.gz BLMPNFCESUGIKC-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3([NH+](C)C)CC3)CC2)C1 ZINC000417351791 382051542 /nfs/dbraw/zinc/05/15/42/382051542.db2.gz DMWKXLRFQPOZDG-RDJZCZTQSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C(C)(C)C ZINC000343993194 382053908 /nfs/dbraw/zinc/05/39/08/382053908.db2.gz RSNNLUPZGNXTAN-MRXNPFEDSA-N 2 0 293.455 2.936 20 0 CFADRP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009549 382066364 /nfs/dbraw/zinc/06/63/64/382066364.db2.gz BAKLFMNZXSSUAZ-INIZCTEOSA-N 2 0 277.456 2.563 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000300709687 382067054 /nfs/dbraw/zinc/06/70/54/382067054.db2.gz MDFAKODPMRZWJA-MWDXBVQZSA-N 2 0 282.472 2.684 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186828432 382025775 /nfs/dbraw/zinc/02/57/75/382025775.db2.gz KLEQODVQCBLXDW-WCXIOVBPSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCC1(C)C ZINC000343948373 382033783 /nfs/dbraw/zinc/03/37/83/382033783.db2.gz YBYLGFPJYBHKRC-INIZCTEOSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)sc1C ZINC000375792855 382103720 /nfs/dbraw/zinc/10/37/20/382103720.db2.gz REPKKKJPXIXJGI-KFWWJZLASA-N 2 0 293.480 2.765 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000375844690 382105888 /nfs/dbraw/zinc/10/58/88/382105888.db2.gz WQARKUDEZZGEHO-GDBMZVCRSA-N 2 0 280.456 2.534 20 0 CFADRP Oc1cc(F)cc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000351993505 382112287 /nfs/dbraw/zinc/11/22/87/382112287.db2.gz AKYBAZPOZIKPMT-INIZCTEOSA-N 2 0 288.322 2.580 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ncccc2C)C[C@H]1C ZINC000357332146 382114487 /nfs/dbraw/zinc/11/44/87/382114487.db2.gz LFHVGEYHCHKAAH-CABCVRRESA-N 2 0 261.413 2.695 20 0 CFADRP Cc1nocc1CNCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000293423994 382117607 /nfs/dbraw/zinc/11/76/07/382117607.db2.gz ANZDLKQSKXOLEO-AWEZNQCLSA-N 2 0 287.407 2.983 20 0 CFADRP Cc1cc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(C)n1 ZINC000301073615 382073758 /nfs/dbraw/zinc/07/37/58/382073758.db2.gz FOZIEWZFMMPNIV-STQMWFEESA-N 2 0 276.428 2.873 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C2CC2)c1 ZINC000293324916 382080186 /nfs/dbraw/zinc/08/01/86/382080186.db2.gz FSQWTYAUWVJWGK-RDTXWAMCSA-N 2 0 290.451 2.804 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1F ZINC000417958434 382099123 /nfs/dbraw/zinc/09/91/23/382099123.db2.gz GGBGUYSCJZJYMW-CQSZACIVSA-N 2 0 280.387 2.544 20 0 CFADRP COC[C@H](C)[NH2+][C@H]1C[C@@H](C2CC2)N(Cc2ccccc2)C1 ZINC000376834047 382182066 /nfs/dbraw/zinc/18/20/66/382182066.db2.gz LQJPRDZAWJAELJ-WBAXXEDZSA-N 2 0 288.435 2.664 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000376467653 382138018 /nfs/dbraw/zinc/13/80/18/382138018.db2.gz GQASGRHLQQADNO-ZACQAIPSSA-N 2 0 292.467 2.654 20 0 CFADRP CC[NH+]1CCC(N(Cc2cnccc2OC)C2CC2)CC1 ZINC000376540378 382141785 /nfs/dbraw/zinc/14/17/85/382141785.db2.gz KVTNKGKSCDTILF-UHFFFAOYSA-N 2 0 289.423 2.539 20 0 CFADRP CCc1cc(NCc2ccc(N3CCCC3)nc2)nc(C)n1 ZINC000301379872 382163460 /nfs/dbraw/zinc/16/34/60/382163460.db2.gz ZQYCQYZLWSZCRI-UHFFFAOYSA-N 2 0 297.406 2.955 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376754052 382170030 /nfs/dbraw/zinc/17/00/30/382170030.db2.gz FBYPWBQGYDZGSR-NJAFHUGGSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ccnc(N(C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)c1 ZINC000362680479 382196917 /nfs/dbraw/zinc/19/69/17/382196917.db2.gz JHHHGEVMFBKUIC-FUHWJXTLSA-N 2 0 296.418 2.914 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000344218642 382206145 /nfs/dbraw/zinc/20/61/45/382206145.db2.gz MRWAYMPIHQFFHY-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP COc1cc2c(NCC3([NH+](C)C)CC3)cc[nH+]c2cc1F ZINC000419008092 382214877 /nfs/dbraw/zinc/21/48/77/382214877.db2.gz LDEHZGFCERDKTD-UHFFFAOYSA-N 2 0 289.354 2.889 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000680329879 542304355 /nfs/dbraw/zinc/30/43/55/542304355.db2.gz SRJXGBDFMFRAAZ-KRWDZBQOSA-N 2 0 282.391 2.950 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000345219528 382291927 /nfs/dbraw/zinc/29/19/27/382291927.db2.gz PZIZOPCRIAHSNK-VQHPVUNQSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1cc(NC[C@@H]2CCCC[N@H+]2CC(C)C)cc[nH+]1 ZINC000357687361 382278431 /nfs/dbraw/zinc/27/84/31/382278431.db2.gz VVDFCTYTPFYCRI-INIZCTEOSA-N 2 0 261.413 2.734 20 0 CFADRP Cc1sccc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000293796892 382282977 /nfs/dbraw/zinc/28/29/77/382282977.db2.gz CYLLLSGZAKIOAC-HUUCEWRRSA-N 2 0 264.438 2.973 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000187866463 382284900 /nfs/dbraw/zinc/28/49/00/382284900.db2.gz HLMWWJIHOIPSFD-AWEZNQCLSA-N 2 0 268.445 2.797 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OCC1CCC1 ZINC000419193655 382238881 /nfs/dbraw/zinc/23/88/81/382238881.db2.gz UVWDXTBUNXYCFV-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CO[C@@H](CC(C)C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000419214095 382245151 /nfs/dbraw/zinc/24/51/51/382245151.db2.gz KCLNQCDXEAOZHP-HOTGVXAUSA-N 2 0 270.461 2.854 20 0 CFADRP COc1c(O)cccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000293717495 382247567 /nfs/dbraw/zinc/24/75/67/382247567.db2.gz SWVTWKFMYDTLHD-UHFFFAOYSA-N 2 0 292.423 2.757 20 0 CFADRP C[C@@](O)(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000187891594 382290319 /nfs/dbraw/zinc/29/03/19/382290319.db2.gz AZHFPCXPIVRNBM-RCCFBDPRSA-N 2 0 288.435 2.501 20 0 CFADRP c1cc(OCC2CC2)ccc1CN1CC[NH+]2CCC1CC2 ZINC000377632181 382306439 /nfs/dbraw/zinc/30/64/39/382306439.db2.gz VMUXHJFGIZUBQP-UHFFFAOYSA-N 2 0 286.419 2.755 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000420291786 382344393 /nfs/dbraw/zinc/34/43/93/382344393.db2.gz KUZAZONETVULOH-JTQLQIEISA-N 2 0 265.426 2.580 20 0 CFADRP C[C@H](F)CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352402839 382310468 /nfs/dbraw/zinc/31/04/68/382310468.db2.gz QLGJVXJWWYDGIL-XIRDDKMYSA-N 2 0 276.399 2.798 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000364390333 382316714 /nfs/dbraw/zinc/31/67/14/382316714.db2.gz XENYFKRQBDUCBT-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCc2sccc21)C[NH+](C)C ZINC000293896676 382326638 /nfs/dbraw/zinc/32/66/38/382326638.db2.gz ZKNOJVXKVRPNJG-YPMHNXCESA-N 2 0 252.427 2.913 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420282747 382339685 /nfs/dbraw/zinc/33/96/85/382339685.db2.gz BJHPDFFPEAVKBQ-STQMWFEESA-N 2 0 264.438 2.968 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCc2ccccc2OC)CC1 ZINC000420284130 382340351 /nfs/dbraw/zinc/34/03/51/382340351.db2.gz CPKKRRQUVYRXAF-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)C1(CC)CC ZINC000420299660 382349773 /nfs/dbraw/zinc/34/97/73/382349773.db2.gz JEZKRXFLJXRBNN-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP c1ccc(C[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420301751 382351437 /nfs/dbraw/zinc/35/14/37/382351437.db2.gz JBFPZLSTEFQWQT-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420300443 382351950 /nfs/dbraw/zinc/35/19/50/382351950.db2.gz HKHPABFJNOYBBC-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000420302205 382352476 /nfs/dbraw/zinc/35/24/76/382352476.db2.gz BLTIDWGNLNEOTD-LLVKDONJSA-N 2 0 252.324 2.780 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H](C)[NH3+])[C@@H](C)C2CC2)cc1 ZINC000420302920 382353575 /nfs/dbraw/zinc/35/35/75/382353575.db2.gz JZXPYSOXDVBEKX-OLZOCXBDSA-N 2 0 262.397 2.643 20 0 CFADRP COc1ccccc1CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420304983 382353711 /nfs/dbraw/zinc/35/37/11/382353711.db2.gz PCOINZDXKCPEDL-HNNXBMFYSA-N 2 0 276.424 2.559 20 0 CFADRP CC1CCN(C(=[NH2+])NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000303261189 382353976 /nfs/dbraw/zinc/35/39/76/382353976.db2.gz OAALTMJQEDRBJB-UHFFFAOYSA-N 2 0 280.460 2.507 20 0 CFADRP C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000420304379 382354335 /nfs/dbraw/zinc/35/43/35/382354335.db2.gz OJAGZSXCBPJHQA-WBVHZDCISA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000420307068 382355254 /nfs/dbraw/zinc/35/52/54/382355254.db2.gz QXCRQXWTFDLJNC-DZGCQCFKSA-N 2 0 276.424 2.858 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]CC[C@H]2CCC[NH2+]C2)sc1C ZINC000420306718 382356159 /nfs/dbraw/zinc/35/61/59/382356159.db2.gz AOUIBMAKBFQSEZ-CYBMUJFWSA-N 2 0 281.469 2.974 20 0 CFADRP C(C[NH+]1CCC(OCC2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000420305676 382356590 /nfs/dbraw/zinc/35/65/90/382356590.db2.gz PUBMPCHDQBKMOW-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)sc1C ZINC000420310857 382359554 /nfs/dbraw/zinc/35/95/54/382359554.db2.gz GGOMLPHPXKBLBK-CABCVRRESA-N 2 0 293.480 2.939 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000420311386 382359976 /nfs/dbraw/zinc/35/99/76/382359976.db2.gz GZSASTGFKXGKAA-GHMZBOCLSA-N 2 0 286.778 2.527 20 0 CFADRP CC[C@]1(C)CC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311452 382360014 /nfs/dbraw/zinc/36/00/14/382360014.db2.gz VYWYNWNRLVYNFJ-NVXWUHKLSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCCCC1 ZINC000346438669 382362962 /nfs/dbraw/zinc/36/29/62/382362962.db2.gz IDKFAKFXNLSTCW-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP Fc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420316651 382364248 /nfs/dbraw/zinc/36/42/48/382364248.db2.gz MWQBTIJDZMMRJZ-CZUORRHYSA-N 2 0 262.372 2.962 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000420321149 382366817 /nfs/dbraw/zinc/36/68/17/382366817.db2.gz QUSLEMXYXUPNOC-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)CC1CCOCC1 ZINC000420321592 382366997 /nfs/dbraw/zinc/36/69/97/382366997.db2.gz CYGHXNIXPKRPEB-ZWKOTPCHSA-N 2 0 294.483 2.905 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420320505 382367331 /nfs/dbraw/zinc/36/73/31/382367331.db2.gz QKTQIOWLSYIJJN-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cccs2)cc1 ZINC000420323371 382368864 /nfs/dbraw/zinc/36/88/64/382368864.db2.gz TUKNEAZBOSTAMW-AWEZNQCLSA-N 2 0 290.432 2.931 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420321750 382368957 /nfs/dbraw/zinc/36/89/57/382368957.db2.gz RPMWASWLXWSEQW-AWEZNQCLSA-N 2 0 280.387 2.526 20 0 CFADRP Cc1nc(C)c([C@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420323376 382369052 /nfs/dbraw/zinc/36/90/52/382369052.db2.gz UGUKLCFHXQJDRS-AAEUAGOBSA-N 2 0 267.442 2.752 20 0 CFADRP C[N@H+](CCCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420322932 382369129 /nfs/dbraw/zinc/36/91/29/382369129.db2.gz SVHUCIFAJLHBII-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000420323285 382369346 /nfs/dbraw/zinc/36/93/46/382369346.db2.gz BGCNMNADHHIYMR-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352504098 382369533 /nfs/dbraw/zinc/36/95/33/382369533.db2.gz NEKFTSHMVAQMFD-INIZCTEOSA-N 2 0 276.424 2.831 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000346458206 382370789 /nfs/dbraw/zinc/37/07/89/382370789.db2.gz LKFXVXTWYPHZNL-YJBOKZPZSA-N 2 0 288.435 2.940 20 0 CFADRP C[N@H+](CCCCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420327762 382371089 /nfs/dbraw/zinc/37/10/89/382371089.db2.gz ZCBRKTNPOAZRNB-FOSCPWQOSA-N 2 0 264.335 2.934 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C2CCCC2)cc1 ZINC000420327768 382371598 /nfs/dbraw/zinc/37/15/98/382371598.db2.gz YRRRPSIJFWQCMN-AWEZNQCLSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000346459599 382372980 /nfs/dbraw/zinc/37/29/80/382372980.db2.gz MHDYPHGUQQXIAQ-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420354776 382380822 /nfs/dbraw/zinc/38/08/22/382380822.db2.gz DIXTVUIVCPOGSF-YOEHRIQHSA-N 2 0 258.409 2.823 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)s1 ZINC000352526121 382381062 /nfs/dbraw/zinc/38/10/62/382381062.db2.gz KJYCSEWAYWQVGT-HNNXBMFYSA-N 2 0 264.438 2.940 20 0 CFADRP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1C ZINC000352539628 382386905 /nfs/dbraw/zinc/38/69/05/382386905.db2.gz BJRAZSUUBPROMI-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000420366170 382387392 /nfs/dbraw/zinc/38/73/92/382387392.db2.gz FSOJASYEWNRULJ-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541037 382388989 /nfs/dbraw/zinc/38/89/89/382388989.db2.gz SUGZTNIKEZRFAS-AEFFLSMTSA-N 2 0 272.436 2.941 20 0 CFADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420368151 382389300 /nfs/dbraw/zinc/38/93/00/382389300.db2.gz HLUFFEWSIDUJLC-MRXNPFEDSA-N 2 0 290.455 2.820 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000420374278 382391109 /nfs/dbraw/zinc/39/11/09/382391109.db2.gz HJPHVZYQGILELN-DLBZAZTESA-N 2 0 280.456 2.785 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420376755 382392528 /nfs/dbraw/zinc/39/25/28/382392528.db2.gz REELEPJQVVITSS-BXUZGUMPSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000352553968 382393629 /nfs/dbraw/zinc/39/36/29/382393629.db2.gz DXXUTFWWDKCMPJ-WLYUNCDWSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C1CCN(c2ccccc2)CC1 ZINC000420379869 382394623 /nfs/dbraw/zinc/39/46/23/382394623.db2.gz VZPQOZUHWTUPFS-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP c1ccc2c(c1)CCN2C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420380449 382395186 /nfs/dbraw/zinc/39/51/86/382395186.db2.gz WSBASDRKKPHFGD-MRXNPFEDSA-N 2 0 299.462 2.513 20 0 CFADRP CCc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420390571 382396031 /nfs/dbraw/zinc/39/60/31/382396031.db2.gz YJYXEXUWVJJURE-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000420297327 382347429 /nfs/dbraw/zinc/34/74/29/382347429.db2.gz CXQJTTSCTMKHHR-UONOGXRCSA-N 2 0 262.397 2.775 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1C ZINC000420297513 382347450 /nfs/dbraw/zinc/34/74/50/382347450.db2.gz GBHTXQWVPFXSRE-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346632762 382447646 /nfs/dbraw/zinc/44/76/46/382447646.db2.gz DTWKVQMGKROPHI-UKRRQHHQSA-N 2 0 284.407 2.554 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000346610860 382436171 /nfs/dbraw/zinc/43/61/71/382436171.db2.gz RNMNSFRJCCJOFH-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2F)[C@H](C)C1 ZINC000358085831 382445369 /nfs/dbraw/zinc/44/53/69/382445369.db2.gz NOPKTRAOEGOQEJ-UKRRQHHQSA-N 2 0 280.387 2.524 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000420405399 382399356 /nfs/dbraw/zinc/39/93/56/382399356.db2.gz MUENFMAGBMMACC-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420404200 382399935 /nfs/dbraw/zinc/39/99/35/382399935.db2.gz LXNHTHBHZYTLOV-YDHLFZDLSA-N 2 0 264.413 2.762 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420403524 382400305 /nfs/dbraw/zinc/40/03/05/382400305.db2.gz LANQVSLMASEYDB-XHSDSOJGSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1nc(C2CC2)no1 ZINC000420414056 382402757 /nfs/dbraw/zinc/40/27/57/382402757.db2.gz UFQSSUBVYFZXMO-TZMCWYRMSA-N 2 0 292.427 2.623 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H]1CCC=CO1)CC2)C1CC1 ZINC000365801020 382446646 /nfs/dbraw/zinc/44/66/46/382446646.db2.gz ZUTFFANKLDSIAX-NVXWUHKLSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000358014864 382408548 /nfs/dbraw/zinc/40/85/48/382408548.db2.gz CUKNAECXSVFJJA-PBHICJAKSA-N 2 0 294.414 2.915 20 0 CFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@@H]1CCO[C@@H](C)C1)CC2 ZINC000352607943 382414585 /nfs/dbraw/zinc/41/45/85/382414585.db2.gz BXWLBKNWBRILHM-HZMVEIRTSA-N 2 0 280.456 2.749 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000365583810 382416973 /nfs/dbraw/zinc/41/69/73/382416973.db2.gz ZIMXIPYDATYINN-CZUORRHYSA-N 2 0 287.432 2.978 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCOc2ccccc2)CC[N@@H+]1C ZINC000358031836 382419276 /nfs/dbraw/zinc/41/92/76/382419276.db2.gz ZMMPOSJRMUHRJW-HOTGVXAUSA-N 2 0 276.424 2.918 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000305899448 382450043 /nfs/dbraw/zinc/45/00/43/382450043.db2.gz SKYJBRBDUAWFRM-AVGNSLFASA-N 2 0 258.356 2.638 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000346646294 382453075 /nfs/dbraw/zinc/45/30/75/382453075.db2.gz AJUGSGPRDBDXJQ-KGLIPLIRSA-N 2 0 284.407 2.554 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000346652293 382455531 /nfs/dbraw/zinc/45/55/31/382455531.db2.gz QIVZNVNJCKFZQA-TZMCWYRMSA-N 2 0 287.432 2.979 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1C ZINC000378402500 382455663 /nfs/dbraw/zinc/45/56/63/382455663.db2.gz LWQGHMCPHUKJFS-YOEHRIQHSA-N 2 0 298.434 2.659 20 0 CFADRP C[NH2+]C[C@@H]1CCCN1Cc1ccc(OCC(C)C)cc1 ZINC000346651807 382456228 /nfs/dbraw/zinc/45/62/28/382456228.db2.gz CVKZXCUHSQKUAR-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000352722203 382459544 /nfs/dbraw/zinc/45/95/44/382459544.db2.gz OANVWCMPFIEUEK-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH2+]C[C@@H]1CCCN1Cc1cccc(-c2ccccn2)c1 ZINC000346662426 382460161 /nfs/dbraw/zinc/46/01/61/382460161.db2.gz BWWFZFGQHPMBHV-KRWDZBQOSA-N 2 0 281.403 2.932 20 0 CFADRP Cc1ccc2ncc(CNc3nc4ccccc4[nH]3)n2c1 ZINC000346672931 382465164 /nfs/dbraw/zinc/46/51/64/382465164.db2.gz ZTHNFQPBHVABDF-UHFFFAOYSA-N 2 0 277.331 2.553 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358137421 382465266 /nfs/dbraw/zinc/46/52/66/382465266.db2.gz GRJJIBYPCHGESF-ZBFHGGJFSA-N 2 0 299.418 2.543 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000346674476 382466401 /nfs/dbraw/zinc/46/64/01/382466401.db2.gz WBJBEMUCCUMSTE-UHFFFAOYSA-N 2 0 265.426 2.581 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000346677712 382467516 /nfs/dbraw/zinc/46/75/16/382467516.db2.gz LIHWWOFEHKLICU-HIFRSBDPSA-N 2 0 284.407 2.554 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000346679490 382468160 /nfs/dbraw/zinc/46/81/60/382468160.db2.gz NDDQCCYQNVBROF-GDBMZVCRSA-N 2 0 281.403 2.918 20 0 CFADRP CCCOc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1OC ZINC000346687961 382472656 /nfs/dbraw/zinc/47/26/56/382472656.db2.gz NAXJKLAHWYYQIK-UHFFFAOYSA-N 2 0 292.423 2.655 20 0 CFADRP COc1cnccc1[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000188786105 382475719 /nfs/dbraw/zinc/47/57/19/382475719.db2.gz TZZULCNQNQTWIU-CYBMUJFWSA-N 2 0 277.412 2.614 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346691946 382475944 /nfs/dbraw/zinc/47/59/44/382475944.db2.gz WUQHMIWBENQRHL-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOC(C)(C)CC)CC1 ZINC000308746871 382486747 /nfs/dbraw/zinc/48/67/47/382486747.db2.gz RNVUJVTWDHBWGE-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000358176294 382487421 /nfs/dbraw/zinc/48/74/21/382487421.db2.gz NOMHEQAYPRRXAZ-PMPSAXMXSA-N 2 0 274.408 2.670 20 0 CFADRP CCN(CC(C)(C)[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000346815497 382527215 /nfs/dbraw/zinc/52/72/15/382527215.db2.gz CEHVAQVARHHXCU-DOTOQJQBSA-N 2 0 289.467 2.881 20 0 CFADRP CCN(CC(C)(C)[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000346815498 382527463 /nfs/dbraw/zinc/52/74/63/382527463.db2.gz CEHVAQVARHHXCU-NVXWUHKLSA-N 2 0 289.467 2.881 20 0 CFADRP C[C@H](CCN[C@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000379656288 382507178 /nfs/dbraw/zinc/50/71/78/382507178.db2.gz ORENSEKZOUTBKT-NJAFHUGGSA-N 2 0 289.467 2.757 20 0 CFADRP COC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358211769 382507826 /nfs/dbraw/zinc/50/78/26/382507826.db2.gz ZPNXGHMFEHBWDZ-RDJZCZTQSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353179006 382514776 /nfs/dbraw/zinc/51/47/76/382514776.db2.gz YGGLDUCSDLJCKA-SWLSCSKDSA-N 2 0 272.396 2.698 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366492074 382519163 /nfs/dbraw/zinc/51/91/63/382519163.db2.gz UCXZCZDQSDBMBD-WMZOPIPTSA-N 2 0 272.436 2.893 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366492068 382519600 /nfs/dbraw/zinc/51/96/00/382519600.db2.gz UCXZCZDQSDBMBD-AEFFLSMTSA-N 2 0 272.436 2.893 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000353359486 382538524 /nfs/dbraw/zinc/53/85/24/382538524.db2.gz URJSLJMQLOKTGU-LMSBXDPUSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@@H]2CCC[C@@H]21 ZINC000353609109 382575801 /nfs/dbraw/zinc/57/58/01/382575801.db2.gz AEHKFXVESLLHNW-JYJNAYRXSA-N 2 0 284.407 2.525 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000383048287 382540517 /nfs/dbraw/zinc/54/05/17/382540517.db2.gz SFUNKPAPTNGKFO-QWHCGFSZSA-N 2 0 266.454 2.956 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000383275944 382541903 /nfs/dbraw/zinc/54/19/03/382541903.db2.gz ZQYCTBKIGYUSCR-BFHYXJOUSA-N 2 0 272.383 2.932 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000383369303 382543740 /nfs/dbraw/zinc/54/37/40/382543740.db2.gz IAYXHMFFSKQGIQ-CJNGLKHVSA-N 2 0 294.826 2.793 20 0 CFADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000346850009 382544272 /nfs/dbraw/zinc/54/42/72/382544272.db2.gz HPIUJEXALLGUFF-XBVQOTNRSA-N 2 0 258.409 2.849 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)CC1 ZINC000680649908 542347056 /nfs/dbraw/zinc/34/70/56/542347056.db2.gz GYKUDQZEIBNJLK-CFVMTHIKSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](C[NH2+]C[C@]1(C)CCCS1)C[NH+]1CCCC1 ZINC000327872678 382546047 /nfs/dbraw/zinc/54/60/47/382546047.db2.gz KFJUDFXNAMCHSN-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)c2ccccc21 ZINC000384115122 382548229 /nfs/dbraw/zinc/54/82/29/382548229.db2.gz IEEFXMNUEYINFX-NILFDRSVSA-N 2 0 262.422 2.864 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)c2ccccc21 ZINC000384115118 382548365 /nfs/dbraw/zinc/54/83/65/382548365.db2.gz IEEFXMNUEYINFX-GLQYFDAESA-N 2 0 262.422 2.864 20 0 CFADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000384321047 382551972 /nfs/dbraw/zinc/55/19/72/382551972.db2.gz OVZJDPNDNLHKHO-BHYGNILZSA-N 2 0 276.424 2.621 20 0 CFADRP COCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000384393107 382553346 /nfs/dbraw/zinc/55/33/46/382553346.db2.gz YRDSGTYIILTWTH-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000353515274 382556973 /nfs/dbraw/zinc/55/69/73/382556973.db2.gz HXJURTVGXAUWQL-QBPKDAKJSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000358304410 382558151 /nfs/dbraw/zinc/55/81/51/382558151.db2.gz SYAFGFJFVJCHTP-AGIUHOORSA-N 2 0 260.372 2.884 20 0 CFADRP CC[C@H](C[NH2+][C@H](CC)C1(C(=O)OC)CCC1)N1CCCC1 ZINC000353534722 382558395 /nfs/dbraw/zinc/55/83/95/382558395.db2.gz IPZYKVHMRZXIRH-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000353563603 382560172 /nfs/dbraw/zinc/56/01/72/382560172.db2.gz UIRZJGYRJWNJDC-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP FCCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000367446479 382570391 /nfs/dbraw/zinc/57/03/91/382570391.db2.gz FGCHIULIJGERDB-KFWWJZLASA-N 2 0 254.393 2.542 20 0 CFADRP CSCC1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000385467082 382571052 /nfs/dbraw/zinc/57/10/52/382571052.db2.gz XFIPUPNPRIQRED-SLTAFYQDSA-N 2 0 282.497 2.982 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000367467495 382571866 /nfs/dbraw/zinc/57/18/66/382571866.db2.gz PSNMSRMUSBDFEK-BMFZPTHFSA-N 2 0 276.449 2.973 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000367467496 382572044 /nfs/dbraw/zinc/57/20/44/382572044.db2.gz PSNMSRMUSBDFEK-KBMXLJTQSA-N 2 0 276.449 2.973 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358341441 382577807 /nfs/dbraw/zinc/57/78/07/382577807.db2.gz NQQQSOZLUTZHRM-BZSNNMDCSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)C[C@@H]12 ZINC000346823582 382530696 /nfs/dbraw/zinc/53/06/96/382530696.db2.gz FGUPOXLOCAZPTP-GUDVDZBRSA-N 2 0 293.414 2.918 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346831638 382533294 /nfs/dbraw/zinc/53/32/94/382533294.db2.gz QJJYCRVEZAQKSK-FPMFFAJLSA-N 2 0 279.453 2.826 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCOC1 ZINC000366632200 382533732 /nfs/dbraw/zinc/53/37/32/382533732.db2.gz HMOAKFDYJYUQSR-UXLLHSPISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCOC1 ZINC000366632208 382534378 /nfs/dbraw/zinc/53/43/78/382534378.db2.gz HMOAKFDYJYUQSR-ZOBUZTSGSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@](C)(C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C)OC ZINC000319586041 382535042 /nfs/dbraw/zinc/53/50/42/382535042.db2.gz HQAJXTHLHZHZBD-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353631299 382585668 /nfs/dbraw/zinc/58/56/68/382585668.db2.gz LESDFZPXOSGJBW-KSZLIROESA-N 2 0 288.435 2.966 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000358362179 382587941 /nfs/dbraw/zinc/58/79/41/382587941.db2.gz DTAMLXWANMQUFQ-MLGOLLRUSA-N 2 0 294.389 2.926 20 0 CFADRP Clc1cccc(O[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000346967382 382590617 /nfs/dbraw/zinc/59/06/17/382590617.db2.gz DNBMAUNQNNTIJP-MRXNPFEDSA-N 2 0 294.826 2.793 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000346965969 382590971 /nfs/dbraw/zinc/59/09/71/382590971.db2.gz DASNFFFMYQKSLN-ZDUSSCGKSA-N 2 0 262.397 2.520 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)nc2)[C@@H](C)C1 ZINC000353650477 382595034 /nfs/dbraw/zinc/59/50/34/382595034.db2.gz NMJUXVXOIIXEJZ-MAUKXSAKSA-N 2 0 289.467 2.985 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC23CCC3)CC[NH+](C)CC1 ZINC000353656343 382597279 /nfs/dbraw/zinc/59/72/79/382597279.db2.gz HXBPYSYMGVDYNE-ZDUSSCGKSA-N 2 0 268.470 2.736 20 0 CFADRP COCc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)o1 ZINC000387340969 382597717 /nfs/dbraw/zinc/59/77/17/382597717.db2.gz QENCWWIIKXLYAC-UHFFFAOYSA-N 2 0 268.401 2.636 20 0 CFADRP CC(C)n1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000387372975 382598237 /nfs/dbraw/zinc/59/82/37/382598237.db2.gz WYSOMYKJXNIBBG-UHFFFAOYSA-N 2 0 266.433 2.674 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cc(OC)ccc2F)C1 ZINC000295248188 382598777 /nfs/dbraw/zinc/59/87/77/382598777.db2.gz FSJZPBOAERCXJG-AWEZNQCLSA-N 2 0 294.414 2.998 20 0 CFADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000387499243 382598962 /nfs/dbraw/zinc/59/89/62/382598962.db2.gz FUIMMJGAQIIOJX-OAHLLOKOSA-N 2 0 291.439 2.711 20 0 CFADRP C[C@H]([NH2+]C1CCC(O)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353673696 382602497 /nfs/dbraw/zinc/60/24/97/382602497.db2.gz RXDSGRDKNILMLF-FSOQPWQOSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@@]1(C)C[NH3+] ZINC000388556918 382607490 /nfs/dbraw/zinc/60/74/90/382607490.db2.gz ZEARLCVMQYUPJY-MLGOLLRUSA-N 2 0 258.365 2.850 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000388841259 382609235 /nfs/dbraw/zinc/60/92/35/382609235.db2.gz DJPFCSLNIWENJY-FPCVCCKLSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)COCc1ccccc1 ZINC000389936858 382616861 /nfs/dbraw/zinc/61/68/61/382616861.db2.gz JZYGRJQEHFLTPA-PVAVHDDUSA-N 2 0 276.424 2.699 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000392292296 382621759 /nfs/dbraw/zinc/62/17/59/382621759.db2.gz SXSCVSXIRIUYQX-UHFFFAOYSA-N 2 0 266.335 2.976 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2)C[C@@H]1C ZINC000353743897 382622508 /nfs/dbraw/zinc/62/25/08/382622508.db2.gz DYWHXXIIXHWODF-HOCLYGCPSA-N 2 0 276.424 3.000 20 0 CFADRP CC(C)OC1CC([NH2+]CC[C@H](C)[NH+]2CCCCC2)C1 ZINC000189570514 382625830 /nfs/dbraw/zinc/62/58/30/382625830.db2.gz PWTMZNDINVYGBT-FHERZECASA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OC ZINC000394487428 382627498 /nfs/dbraw/zinc/62/74/98/382627498.db2.gz PCJBBGRCRXYWNI-UTSKFRMZSA-N 2 0 282.472 2.948 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000295154640 382578445 /nfs/dbraw/zinc/57/84/45/382578445.db2.gz DBEOXPHDCRBBIT-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC000358345824 382580506 /nfs/dbraw/zinc/58/05/06/382580506.db2.gz OZOFPFAFLPWNKN-WBVHZDCISA-N 2 0 272.436 2.939 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCOC1 ZINC000358345377 382580579 /nfs/dbraw/zinc/58/05/79/382580579.db2.gz NQXNLSUOFUKGPU-IKGGRYGDSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358346608 382581122 /nfs/dbraw/zinc/58/11/22/382581122.db2.gz AEUVRRQFSVSXCQ-ZIAGYGMSSA-N 2 0 258.475 2.696 20 0 CFADRP C[C@H]1CSCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000190435747 382668097 /nfs/dbraw/zinc/66/80/97/382668097.db2.gz CJAJQDRQJDMRJQ-CQSZACIVSA-N 2 0 256.459 2.547 20 0 CFADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000399121968 382637570 /nfs/dbraw/zinc/63/75/70/382637570.db2.gz LHIVTAPXWFQGMJ-CXAGYDPISA-N 2 0 258.409 2.953 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCCO1 ZINC000189731416 382638074 /nfs/dbraw/zinc/63/80/74/382638074.db2.gz JUCDOOFLXPGULD-XIRDDKMYSA-N 2 0 278.440 2.504 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000191166248 382693941 /nfs/dbraw/zinc/69/39/41/382693941.db2.gz RUGJSPHXMHIZDD-UKRRQHHQSA-N 2 0 290.455 2.907 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000191455762 382700587 /nfs/dbraw/zinc/70/05/87/382700587.db2.gz RBGLQSWPSOEAKV-UHFFFAOYSA-N 2 0 290.455 2.608 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000575043362 382724670 /nfs/dbraw/zinc/72/46/70/382724670.db2.gz XMMVKRZCDMFJJH-PKOBYXMFSA-N 2 0 299.462 2.881 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c(OC)c1 ZINC000336832803 382726801 /nfs/dbraw/zinc/72/68/01/382726801.db2.gz FTEIOZFWVRNSCO-CHWSQXEVSA-N 2 0 280.412 2.872 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000575137247 382728670 /nfs/dbraw/zinc/72/86/70/382728670.db2.gz WUEXORHLUIPJMS-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000336838058 382730216 /nfs/dbraw/zinc/73/02/16/382730216.db2.gz MRMBDPXXHQPGHT-DOTOQJQBSA-N 2 0 277.456 2.787 20 0 CFADRP COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)ccc1C ZINC000194001621 382732249 /nfs/dbraw/zinc/73/22/49/382732249.db2.gz ODKOZNFRFNOMMJ-GDBMZVCRSA-N 2 0 276.424 2.918 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C)cc1 ZINC000219321892 382793422 /nfs/dbraw/zinc/79/34/22/382793422.db2.gz NIEBUZGCOPEZJI-INIZCTEOSA-N 2 0 264.413 2.614 20 0 CFADRP C[NH+](C)C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000337141719 382766924 /nfs/dbraw/zinc/76/69/24/382766924.db2.gz VZIPLBCWFGCWCF-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cc(C)cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000219324186 382793809 /nfs/dbraw/zinc/79/38/09/382793809.db2.gz LEAABFOAKZOVGY-OAHLLOKOSA-N 2 0 264.413 2.532 20 0 CFADRP C[N@H+](CCCCC1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000337171468 382771274 /nfs/dbraw/zinc/77/12/74/382771274.db2.gz FWRRVOHTHAFENT-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000337232408 382781726 /nfs/dbraw/zinc/78/17/26/382781726.db2.gz JMNGQQXMGHDLQI-OAHLLOKOSA-N 2 0 291.439 2.894 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000220210349 382795389 /nfs/dbraw/zinc/79/53/89/382795389.db2.gz DFKBJXMECGZEEM-OLZOCXBDSA-N 2 0 250.361 2.693 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1C ZINC000194204061 382737078 /nfs/dbraw/zinc/73/70/78/382737078.db2.gz PTMNIZNCOLQTBL-OAHLLOKOSA-N 2 0 274.408 2.578 20 0 CFADRP C[C@@H](CC[NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000194263720 382738721 /nfs/dbraw/zinc/73/87/21/382738721.db2.gz BXYYKWQKOMVDJY-INIZCTEOSA-N 2 0 290.451 2.617 20 0 CFADRP C[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000194449524 382744158 /nfs/dbraw/zinc/74/41/58/382744158.db2.gz HMUQNWQKISUWGR-FUHWJXTLSA-N 2 0 290.451 2.617 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)C2CC2)cc1 ZINC000219311008 382793123 /nfs/dbraw/zinc/79/31/23/382793123.db2.gz BUBLDOYMGYAXQX-QGZVFWFLSA-N 2 0 276.424 2.614 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc4ccccc4s3)C[C@H]21 ZINC000228477704 382846873 /nfs/dbraw/zinc/84/68/73/382846873.db2.gz LSMYTUIVAXFFNI-JHJVBQTASA-N 2 0 287.432 2.856 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000228494821 382847524 /nfs/dbraw/zinc/84/75/24/382847524.db2.gz ICCRCZCHFRUXCU-NSHDSACASA-N 2 0 294.826 2.834 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000577109162 382847865 /nfs/dbraw/zinc/84/78/65/382847865.db2.gz HFAMGJPUUVLCHG-INIZCTEOSA-N 2 0 298.434 2.660 20 0 CFADRP c1cnn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000337624152 382849254 /nfs/dbraw/zinc/84/92/54/382849254.db2.gz UAAPXMZDCPBNNP-DLBZAZTESA-N 2 0 296.418 2.589 20 0 CFADRP c1cnn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000337624153 382849282 /nfs/dbraw/zinc/84/92/82/382849282.db2.gz UAAPXMZDCPBNNP-IAGOWNOFSA-N 2 0 296.418 2.589 20 0 CFADRP CSc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414904803 532958176 /nfs/dbraw/zinc/95/81/76/532958176.db2.gz NZTWTUORJUTYFW-HNNXBMFYSA-N 2 0 264.438 2.888 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221276756 382798177 /nfs/dbraw/zinc/79/81/77/382798177.db2.gz ZUCTWWPKVHCXPP-SWLSCSKDSA-N 2 0 250.361 2.818 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)C2CCC2)CC1 ZINC000337307969 382798609 /nfs/dbraw/zinc/79/86/09/382798609.db2.gz XJABERVTFYGYMG-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229056841 382849962 /nfs/dbraw/zinc/84/99/62/382849962.db2.gz NIUOUCJKEMQMEF-NEPJUHHUSA-N 2 0 252.427 2.727 20 0 CFADRP CC(C)C[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337334151 382803837 /nfs/dbraw/zinc/80/38/37/382803837.db2.gz KDVUDZVJVUYGOX-GOSISDBHSA-N 2 0 295.515 2.913 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337339073 382805117 /nfs/dbraw/zinc/80/51/17/382805117.db2.gz OJWVOAMKXOJFJR-CJNGLKHVSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000337340118 382805804 /nfs/dbraw/zinc/80/58/04/382805804.db2.gz PCQBPOQPABRMHR-GJZGRUSLSA-N 2 0 256.434 2.654 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCCO2)c2ccccc21 ZINC000223696588 382806704 /nfs/dbraw/zinc/80/67/04/382806704.db2.gz MKMIQVZVMLTXQR-MAZHCROVSA-N 2 0 260.381 2.680 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337357361 382808912 /nfs/dbraw/zinc/80/89/12/382808912.db2.gz BBSOFDWSUKBVPD-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000337376097 382811648 /nfs/dbraw/zinc/81/16/48/382811648.db2.gz AKIFVNCWORPGFS-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000337404040 382815972 /nfs/dbraw/zinc/81/59/72/382815972.db2.gz SILREXDGAUFIIJ-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)C1 ZINC000577191853 382851202 /nfs/dbraw/zinc/85/12/02/382851202.db2.gz YRJUHUNSPHXVQA-BDAKNGLRSA-N 2 0 293.358 2.564 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000093210449 184655768 /nfs/dbraw/zinc/65/57/68/184655768.db2.gz DEZHIEMAAXOHKF-RYUDHWBXSA-N 2 0 270.323 2.648 20 0 CFADRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000226328496 382826945 /nfs/dbraw/zinc/82/69/45/382826945.db2.gz HKWFZTXRONQGNT-AWEZNQCLSA-N 2 0 264.413 2.643 20 0 CFADRP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226434482 382828444 /nfs/dbraw/zinc/82/84/44/382828444.db2.gz CAMKXOTUKCRXLA-ZDUSSCGKSA-N 2 0 284.350 2.719 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226435321 382828817 /nfs/dbraw/zinc/82/88/17/382828817.db2.gz DJMKWYSNRSEWBI-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000576607699 382829352 /nfs/dbraw/zinc/82/93/52/382829352.db2.gz BRHDBHJKYJRKLU-ZWKOTPCHSA-N 2 0 288.435 2.953 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C1 ZINC000576718099 382833929 /nfs/dbraw/zinc/83/39/29/382833929.db2.gz QWTOOHLJMSHWNN-ZIAGYGMSSA-N 2 0 275.371 2.709 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1F ZINC000227184883 382834913 /nfs/dbraw/zinc/83/49/13/382834913.db2.gz GLKMLHQTQGWGPH-JSGCOSHPSA-N 2 0 250.361 2.693 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000227327226 382835884 /nfs/dbraw/zinc/83/58/84/382835884.db2.gz VTKVTQGGZMWPNB-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000227328775 382835886 /nfs/dbraw/zinc/83/58/86/382835886.db2.gz LOWJSZHZFCXICQ-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCOC)C1 ZINC000337535556 382838373 /nfs/dbraw/zinc/83/83/73/382838373.db2.gz XSMVNVHTSWHRGW-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP Cn1cncc1CC[N@@H+]1CCc2ccccc2C1(C)C ZINC000576921586 382841243 /nfs/dbraw/zinc/84/12/43/382841243.db2.gz NEQHYAHZIZCSIG-UHFFFAOYSA-N 2 0 269.392 2.756 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000337567895 382843213 /nfs/dbraw/zinc/84/32/13/382843213.db2.gz ZKPPRWSSNIZUTD-UONOGXRCSA-N 2 0 290.398 2.999 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]21 ZINC000230048927 382855391 /nfs/dbraw/zinc/85/53/91/382855391.db2.gz FOGTWZMVRURUBO-HYVNUMGLSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)C[C@@H]21 ZINC000230046784 382855491 /nfs/dbraw/zinc/85/54/91/382855491.db2.gz MHYZOMMBGCQXGL-FGTMMUONSA-N 2 0 270.420 2.735 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]21 ZINC000230126805 382856170 /nfs/dbraw/zinc/85/61/70/382856170.db2.gz YHOLKBOXPZGQMA-VNQPRFMTSA-N 2 0 270.376 2.992 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000577410409 382858681 /nfs/dbraw/zinc/85/86/81/382858681.db2.gz ACPHFDYJUOXPKQ-QAETUUGQSA-N 2 0 274.408 2.624 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415015733 532959283 /nfs/dbraw/zinc/95/92/83/532959283.db2.gz ZCZWLRYAHJQNJS-JKSUJKDBSA-N 2 0 276.449 2.886 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577626851 382865403 /nfs/dbraw/zinc/86/54/03/382865403.db2.gz VQHPGLSIVYBALD-KFWWJZLASA-N 2 0 262.397 2.622 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000577633197 382865919 /nfs/dbraw/zinc/86/59/19/382865919.db2.gz CEHKAJNXBDVONT-QWRGUYRKSA-N 2 0 292.814 2.946 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000577768521 382870266 /nfs/dbraw/zinc/87/02/66/382870266.db2.gz GGOVARSWAMKFIF-VQHPVUNQSA-N 2 0 274.408 2.766 20 0 CFADRP CC[C@H](C[NH+]1CCC([NH2+]CCOC)CC1)c1ccccc1 ZINC000577854234 382873032 /nfs/dbraw/zinc/87/30/32/382873032.db2.gz GZZGRPMIQDYHPJ-MRXNPFEDSA-N 2 0 290.451 2.881 20 0 CFADRP COc1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)C(C)C)cc1 ZINC000577854886 382873038 /nfs/dbraw/zinc/87/30/38/382873038.db2.gz PQIIIHDRNJKNBM-KRWDZBQOSA-N 2 0 294.439 2.560 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCC23CC3)C[C@@H](C)O1 ZINC000577888112 382874414 /nfs/dbraw/zinc/87/44/14/382874414.db2.gz HSWXGFHFAMAEGO-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCC23CC3)C[C@H](C)O1 ZINC000577888114 382874426 /nfs/dbraw/zinc/87/44/26/382874426.db2.gz HSWXGFHFAMAEGO-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000577986875 382880153 /nfs/dbraw/zinc/88/01/53/382880153.db2.gz RRMJCLPHJHNKBE-JKSUJKDBSA-N 2 0 292.471 2.715 20 0 CFADRP CC[C@@H](F)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000440792842 382883153 /nfs/dbraw/zinc/88/31/53/382883153.db2.gz NWENQCIAJFUFEJ-OAHLLOKOSA-N 2 0 279.403 2.978 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000235708175 382886706 /nfs/dbraw/zinc/88/67/06/382886706.db2.gz VXETWPBNQKPRRK-CYBMUJFWSA-N 2 0 272.314 2.876 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000578083085 382890632 /nfs/dbraw/zinc/89/06/32/382890632.db2.gz KLOFMARLQMAGDF-KGLIPLIRSA-N 2 0 261.413 2.739 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337995449 382894297 /nfs/dbraw/zinc/89/42/97/382894297.db2.gz MULFIVFCEWOCRR-BRWVUGGUSA-N 2 0 299.478 2.520 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CCCC1 ZINC000421831107 382937198 /nfs/dbraw/zinc/93/71/98/382937198.db2.gz CTBDDHLZYFBZIK-CQSZACIVSA-N 2 0 268.445 2.797 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000578627836 382937850 /nfs/dbraw/zinc/93/78/50/382937850.db2.gz CCEYDWXIJMCVHD-CYBMUJFWSA-N 2 0 297.402 2.955 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)[C@@H]1C ZINC000494922377 382941333 /nfs/dbraw/zinc/94/13/33/382941333.db2.gz LGLAZLWJYQBISQ-CPUCHLNUSA-N 2 0 276.424 2.761 20 0 CFADRP C(=C/c1ccncc1)\C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000494943734 382943568 /nfs/dbraw/zinc/94/35/68/382943568.db2.gz ZJAFSYQVHWVKNO-IDOMTICXSA-N 2 0 294.402 2.924 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C/C=C\c2ccncc2)C1 ZINC000494939735 382944697 /nfs/dbraw/zinc/94/46/97/382944697.db2.gz RHCDSKQTTSEIRQ-VGOKWCNXSA-N 2 0 273.424 2.759 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000578711424 382946413 /nfs/dbraw/zinc/94/64/13/382946413.db2.gz DWYCLLGVZQZSDO-KRWDZBQOSA-N 2 0 288.435 2.533 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCSC1 ZINC000494971623 382948177 /nfs/dbraw/zinc/94/81/77/382948177.db2.gz HVLXYCVRGUVNLD-ZIAGYGMSSA-N 2 0 256.459 2.546 20 0 CFADRP COCc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000535083264 382950853 /nfs/dbraw/zinc/95/08/53/382950853.db2.gz WUUQEPQRPHWBBX-UHFFFAOYSA-N 2 0 294.439 2.978 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000442751149 382951847 /nfs/dbraw/zinc/95/18/47/382951847.db2.gz BRWZSPVCSXENFS-OLZOCXBDSA-N 2 0 282.815 2.778 20 0 CFADRP COC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000421876423 382956926 /nfs/dbraw/zinc/95/69/26/382956926.db2.gz KUFSPCIFKQGGAI-UYSNPLJNSA-N 2 0 268.445 2.654 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421876814 382957405 /nfs/dbraw/zinc/95/74/05/382957405.db2.gz LDKNOBZCDKGKHV-SLTXQBBLSA-N 2 0 268.445 2.654 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421876812 382957939 /nfs/dbraw/zinc/95/79/39/382957939.db2.gz LDKNOBZCDKGKHV-PRLABOORSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC[NH2+]1 ZINC000578846514 382960031 /nfs/dbraw/zinc/96/00/31/382960031.db2.gz DJKYMAWRJBRDGB-HLLBOEOZSA-N 2 0 276.399 2.945 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442846439 382961214 /nfs/dbraw/zinc/96/12/14/382961214.db2.gz ZHTMAHLJKJBYDE-UHFFFAOYSA-N 2 0 292.414 2.758 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000578337451 382913504 /nfs/dbraw/zinc/91/35/04/382913504.db2.gz GPMMSCNRYYGFKV-SQNIBIBYSA-N 2 0 287.451 2.683 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000236807341 382919972 /nfs/dbraw/zinc/91/99/72/382919972.db2.gz LNESRHNVBXIBPN-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@H](NCC(C)(C)C[NH+](C)C)c1ccncc1Cl ZINC000421800505 382928384 /nfs/dbraw/zinc/92/83/84/382928384.db2.gz HTEIIHHIPGXGAX-NSHDSACASA-N 2 0 269.820 2.973 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)o1 ZINC000578549335 382931383 /nfs/dbraw/zinc/93/13/83/382931383.db2.gz IEIGZQDYSXITID-PMPSAXMXSA-N 2 0 291.439 2.584 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000578558459 382932304 /nfs/dbraw/zinc/93/23/04/382932304.db2.gz OXQTUGNQCZMYEQ-KBMXLJTQSA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422706059 382974420 /nfs/dbraw/zinc/97/44/20/382974420.db2.gz SVFCDNAQTMXZIL-UONOGXRCSA-N 2 0 286.423 2.603 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422697594 382975074 /nfs/dbraw/zinc/97/50/74/382975074.db2.gz VGOZCSSQCQKZCW-MSOLQXFVSA-N 3 0 289.467 2.745 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422731660 382976301 /nfs/dbraw/zinc/97/63/01/382976301.db2.gz MCTUJCQRPKXCPB-GVDBMIGSSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CCCCC[C@H]2[NH3+])([NH+](C)C)C1 ZINC000422729070 382976468 /nfs/dbraw/zinc/97/64/68/382976468.db2.gz BDRZYJKPNDPWEP-VQHPVUNQSA-N 2 0 281.488 2.747 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422726710 382976532 /nfs/dbraw/zinc/97/65/32/382976532.db2.gz AEWCTRYMOVPGKB-RYQLBKOJSA-N 2 0 289.467 2.657 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000579042851 382977829 /nfs/dbraw/zinc/97/78/29/382977829.db2.gz CYACOQSFHZQOGO-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422753059 382977800 /nfs/dbraw/zinc/97/78/00/382977800.db2.gz DHDOCJMLAMAMME-QRTARXTBSA-N 2 0 291.414 2.512 20 0 CFADRP CSC[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753508 382977852 /nfs/dbraw/zinc/97/78/52/382977852.db2.gz IMFBIYQRKLAFMZ-NOLJZWGESA-N 2 0 292.448 2.583 20 0 CFADRP CSC[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753507 382977898 /nfs/dbraw/zinc/97/78/98/382977898.db2.gz IMFBIYQRKLAFMZ-JGGQBBKZSA-N 2 0 292.448 2.583 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000423020695 383016592 /nfs/dbraw/zinc/01/65/92/383016592.db2.gz CRFPOGIUVLQQEK-DOTOQJQBSA-N 2 0 292.471 2.989 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000579060237 382978435 /nfs/dbraw/zinc/97/84/35/382978435.db2.gz ZKFAWGCZSHPXQW-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422784849 382979179 /nfs/dbraw/zinc/97/91/79/382979179.db2.gz MNMFAERIJUPBRB-GJZGRUSLSA-N 2 0 286.423 2.594 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]2CCCO[C@H]21 ZINC000422776040 382979321 /nfs/dbraw/zinc/97/93/21/382979321.db2.gz BYPMWFZOPCNLFA-ZHCJQAHYSA-N 2 0 286.419 2.924 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422784851 382979698 /nfs/dbraw/zinc/97/96/98/382979698.db2.gz MNMFAERIJUPBRB-LSDHHAIUSA-N 2 0 286.423 2.594 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCC(C)CC1 ZINC000422794110 382979787 /nfs/dbraw/zinc/97/97/87/382979787.db2.gz YPQAXTAAEZZNRQ-JLSDUUJJSA-N 2 0 287.451 2.841 20 0 CFADRP CC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422807375 382980553 /nfs/dbraw/zinc/98/05/53/382980553.db2.gz MMRLOHGABZBUGX-RLFYNMQTSA-N 2 0 289.467 2.539 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422936371 382988154 /nfs/dbraw/zinc/98/81/54/382988154.db2.gz MGBGEZSDEKLFJL-MNOVXSKESA-N 2 0 286.341 2.834 20 0 CFADRP CN(CC[NH2+][C@@H]1CCC12CCOCC2)C1CCCCC1 ZINC000548861159 382988181 /nfs/dbraw/zinc/98/81/81/382988181.db2.gz MPKPHYDVLIRUBW-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H](Nc1cc(C)cc(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000423025197 383017372 /nfs/dbraw/zinc/01/73/72/383017372.db2.gz LBNOOBFTBQYBKJ-SJORKVTESA-N 2 0 275.440 2.999 20 0 CFADRP CCN1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338322284 382990193 /nfs/dbraw/zinc/99/01/93/382990193.db2.gz IILRKVJEJMYDDH-BBRMVZONSA-N 2 0 296.842 2.786 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCOCc2ccc(Cl)cc2)C1 ZINC000338322306 382990758 /nfs/dbraw/zinc/99/07/58/382990758.db2.gz IILRKVJEJMYDDH-XJKSGUPXSA-N 2 0 296.842 2.786 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCCO)c1ccccc1 ZINC000422972828 382991706 /nfs/dbraw/zinc/99/17/06/382991706.db2.gz AMJYDUSUFMJZHI-GDBMZVCRSA-N 2 0 264.413 2.607 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1 ZINC000422973330 382991813 /nfs/dbraw/zinc/99/18/13/382991813.db2.gz BSBBULSCBUYMKX-UJJTZGENSA-N 2 0 287.451 2.996 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422979300 382993720 /nfs/dbraw/zinc/99/37/20/382993720.db2.gz JBDBBNRTSGNMKQ-IRXDYDNUSA-N 2 0 258.409 2.651 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[nH]n1 ZINC000579225542 382993763 /nfs/dbraw/zinc/99/37/63/382993763.db2.gz ORYNBBZTDNCZOO-NKKGCODLSA-N 2 0 290.455 2.550 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000423024782 383017551 /nfs/dbraw/zinc/01/75/51/383017551.db2.gz MOVAIMXQRVZFRG-KGLIPLIRSA-N 2 0 294.439 2.599 20 0 CFADRP C[C@@H]1CCCCC[NH+]1CC(O)C[N@H+]1CCCCC[C@H]1C ZINC000447269741 382994958 /nfs/dbraw/zinc/99/49/58/382994958.db2.gz CXGAQZZDQBUFGB-HZPDHXFCSA-N 2 0 282.472 2.876 20 0 CFADRP C[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000447321149 382996060 /nfs/dbraw/zinc/99/60/60/382996060.db2.gz LHXOLRIIYTYGPD-MTSZKFMLSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423127540 532965502 /nfs/dbraw/zinc/96/55/02/532965502.db2.gz CBUDDWVDSSVJSA-FRRDWIJNSA-N 2 0 290.386 2.788 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422986876 382997347 /nfs/dbraw/zinc/99/73/47/382997347.db2.gz DOKCAKMUDQFZQT-RHSMWYFYSA-N 2 0 298.434 2.658 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000422994361 383001734 /nfs/dbraw/zinc/00/17/34/383001734.db2.gz VDXLEFCSYRXLSS-SJPCQFCGSA-N 2 0 296.418 2.553 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422999156 383003161 /nfs/dbraw/zinc/00/31/61/383003161.db2.gz RZGCMOBELRJZHM-SJORKVTESA-N 2 0 276.424 2.877 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000245646982 383018115 /nfs/dbraw/zinc/01/81/15/383018115.db2.gz ZRYOTAJGHKSUOR-VQHPVUNQSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCc1ccccn1 ZINC000422999861 383004066 /nfs/dbraw/zinc/00/40/66/383004066.db2.gz TWGGJOAPXQQHSH-RDJZCZTQSA-N 2 0 275.440 2.915 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000423001801 383004491 /nfs/dbraw/zinc/00/44/91/383004491.db2.gz ILMCOZIRVGUVMP-RDJZCZTQSA-N 2 0 260.425 2.871 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423002520 383005164 /nfs/dbraw/zinc/00/51/64/383005164.db2.gz ZCTHEWUMWLYMRR-BRWVUGGUSA-N 2 0 281.488 2.747 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423002649 383005483 /nfs/dbraw/zinc/00/54/83/383005483.db2.gz GLLMGKFHTUMLJI-SHUKQUCYSA-N 2 0 262.397 2.518 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423002494 383006050 /nfs/dbraw/zinc/00/60/50/383006050.db2.gz JJTIVYVOMIWFIO-RISCZKNCSA-N 2 0 282.815 2.956 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C12CCC2 ZINC000245555499 383006356 /nfs/dbraw/zinc/00/63/56/383006356.db2.gz ACRYRFXITSRTPF-BZUAXINKSA-N 2 0 280.456 2.750 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000423004310 383007130 /nfs/dbraw/zinc/00/71/30/383007130.db2.gz JQWGKSBHHXIZOP-RDJZCZTQSA-N 2 0 299.418 2.993 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000423005610 383007240 /nfs/dbraw/zinc/00/72/40/383007240.db2.gz SMHDXKBOBGUDKI-IXDOHACOSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005803 383007285 /nfs/dbraw/zinc/00/72/85/383007285.db2.gz SVQCOOIVQISWQH-JSGCOSHPSA-N 2 0 282.815 2.697 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000423004969 383007367 /nfs/dbraw/zinc/00/73/67/383007367.db2.gz LEOJHIPNCNZZAZ-XJKSGUPXSA-N 2 0 299.418 2.851 20 0 CFADRP FC(F)(F)CSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423013980 383011170 /nfs/dbraw/zinc/01/11/70/383011170.db2.gz HETQNVOPMJYGMF-IJLUTSLNSA-N 2 0 296.402 2.792 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423014648 383012885 /nfs/dbraw/zinc/01/28/85/383012885.db2.gz PKKVYNRBALQXAK-AEGPPILISA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423016123 383012889 /nfs/dbraw/zinc/01/28/89/383012889.db2.gz LWSINPZUVCPCHJ-YOEHRIQHSA-N 2 0 260.425 2.998 20 0 CFADRP CCCc1csc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000578918814 382966191 /nfs/dbraw/zinc/96/61/91/382966191.db2.gz JJYQUAHYOZMFOM-OCCSQVGLSA-N 2 0 281.469 2.868 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000578937851 382967271 /nfs/dbraw/zinc/96/72/71/382967271.db2.gz OIYIAOLMXHBPKA-OAHLLOKOSA-N 2 0 276.424 2.831 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000423020697 383016069 /nfs/dbraw/zinc/01/60/69/383016069.db2.gz CRFPOGIUVLQQEK-RDJZCZTQSA-N 2 0 292.471 2.989 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000578962351 382969365 /nfs/dbraw/zinc/96/93/65/382969365.db2.gz LJHZSYNFGYPJHF-UHFFFAOYSA-N 2 0 287.451 2.782 20 0 CFADRP C[C@@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245732356 383028685 /nfs/dbraw/zinc/02/86/85/383028685.db2.gz QKGVUALAOHDRCH-NRSFXHEJSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245732351 383029239 /nfs/dbraw/zinc/02/92/39/383029239.db2.gz QKGVUALAOHDRCH-LEUOFYLZSA-N 2 0 288.435 2.543 20 0 CFADRP CC(C)c1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000423048084 383030029 /nfs/dbraw/zinc/03/00/29/383030029.db2.gz HQCJYASGDVMBRQ-XOKHGSTOSA-N 2 0 276.424 2.652 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423051007 383031073 /nfs/dbraw/zinc/03/10/73/383031073.db2.gz ZKENQDVBAVKDCW-ZIAGYGMSSA-N 2 0 286.341 2.896 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000423050594 383031391 /nfs/dbraw/zinc/03/13/91/383031391.db2.gz MNWYYWRLLZYNIN-IUCAKERBSA-N 2 0 275.318 2.840 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423051505 383031665 /nfs/dbraw/zinc/03/16/65/383031665.db2.gz NPYVMPCWLUMXNL-HUUCEWRRSA-N 2 0 268.351 2.757 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000245752798 383032279 /nfs/dbraw/zinc/03/22/79/383032279.db2.gz HHAQBRSDVFBJIB-ZWKOTPCHSA-N 2 0 288.435 2.749 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423054854 383033038 /nfs/dbraw/zinc/03/30/38/383033038.db2.gz VJDAGNUUCNWPLT-TZMCWYRMSA-N 2 0 278.444 2.739 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000423054772 383033173 /nfs/dbraw/zinc/03/31/73/383033173.db2.gz VCLYIPGSSGVVMS-RKDXNWHRSA-N 2 0 275.318 2.698 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000423057903 383033984 /nfs/dbraw/zinc/03/39/84/383033984.db2.gz ILLWYWWNNKDPEN-UHFFFAOYSA-N 2 0 275.440 2.891 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000423063256 383037186 /nfs/dbraw/zinc/03/71/86/383037186.db2.gz OKMLROKCAQWCNY-GJZGRUSLSA-N 2 0 268.445 2.690 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245830352 383038081 /nfs/dbraw/zinc/03/80/81/383038081.db2.gz BQKOBJKBUAKCRU-NPJQDHAYSA-N 2 0 280.456 2.652 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cn(C)c2c1 ZINC000423064767 383038148 /nfs/dbraw/zinc/03/81/48/383038148.db2.gz ZSENZKSWIRQGCN-PBHICJAKSA-N 2 0 285.435 2.759 20 0 CFADRP C[C@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423063586 383038238 /nfs/dbraw/zinc/03/82/38/383038238.db2.gz PGRVZGNHDRLCJJ-GXFFZTMASA-N 2 0 272.314 2.530 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423065899 383038341 /nfs/dbraw/zinc/03/83/41/383038341.db2.gz VNSLTOOTLCIFGL-XYJFISCASA-N 2 0 289.467 2.757 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448023066 383039317 /nfs/dbraw/zinc/03/93/17/383039317.db2.gz RLYNNWHHYHGHBR-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423074240 383041398 /nfs/dbraw/zinc/04/13/98/383041398.db2.gz LFHALNDAIQKZRO-SPUZQDLCSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093459 383041528 /nfs/dbraw/zinc/04/15/28/383041528.db2.gz HNRVBZZUMQCZCL-NXHRZFHOSA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423095958 383041963 /nfs/dbraw/zinc/04/19/63/383041963.db2.gz GOFJHTQVAKWFPT-SJORKVTESA-N 2 0 293.499 2.750 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)cc1F ZINC000423116787 383042545 /nfs/dbraw/zinc/04/25/45/383042545.db2.gz RNAXOUVSXSFTOA-IXYNUQLISA-N 2 0 292.398 2.797 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000423117885 383042560 /nfs/dbraw/zinc/04/25/60/383042560.db2.gz XRBGAQPOQHPPPT-CPCZMJQVSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000423101555 383042751 /nfs/dbraw/zinc/04/27/51/383042751.db2.gz NMUVLFDYYOKDSL-INIZCTEOSA-N 2 0 281.488 2.750 20 0 CFADRP FC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423122586 383043454 /nfs/dbraw/zinc/04/34/54/383043454.db2.gz KBYKBPAQYOQMQI-MCIONIFRSA-N 2 0 254.393 2.779 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423118292 383043716 /nfs/dbraw/zinc/04/37/16/383043716.db2.gz ZVYQLTVUCYWRHY-FRRDWIJNSA-N 2 0 260.372 2.790 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423142887 383044983 /nfs/dbraw/zinc/04/49/83/383044983.db2.gz BNTHNXOFDBALTO-SNPRPXQTSA-N 2 0 276.449 2.996 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423145287 383045438 /nfs/dbraw/zinc/04/54/38/383045438.db2.gz JYBUYINNPLEBMU-ABAIWWIYSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000423163390 383046223 /nfs/dbraw/zinc/04/62/23/383046223.db2.gz RAANSRFIYJUARH-GZBFAFLISA-N 2 0 261.413 2.673 20 0 CFADRP C[C@H]([NH2+]C1CCc2ccccc2CC1)[C@H]1CCC[NH2+]1 ZINC000423161976 383046921 /nfs/dbraw/zinc/04/69/21/383046921.db2.gz OKUCUGDYJNIWIL-SUMWQHHRSA-N 2 0 258.409 2.664 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000246550394 383080849 /nfs/dbraw/zinc/08/08/49/383080849.db2.gz WNMJAKPSSADVFB-CAOSSQGBSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2sccc21 ZINC000423193891 383048751 /nfs/dbraw/zinc/04/87/51/383048751.db2.gz XHUBWPJQNLOXJD-HIFRSBDPSA-N 2 0 293.480 2.571 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338782043 383050060 /nfs/dbraw/zinc/05/00/60/383050060.db2.gz DINCZPZLAYTUQQ-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423206588 383050227 /nfs/dbraw/zinc/05/02/27/383050227.db2.gz GGAXHKUBGXYDLQ-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423267254 383054219 /nfs/dbraw/zinc/05/42/19/383054219.db2.gz CPPHVKUSKSOQND-UJEKJILKSA-N 2 0 296.455 2.606 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423276084 383055196 /nfs/dbraw/zinc/05/51/96/383055196.db2.gz NWXNFHKGGHWNMD-SOUVJXGZSA-N 2 0 256.409 2.884 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423275131 383055341 /nfs/dbraw/zinc/05/53/41/383055341.db2.gz MWZGDGZUPGMWQU-VBNZEHGJSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000423290683 383056767 /nfs/dbraw/zinc/05/67/67/383056767.db2.gz FAWUMQPTDBGZOT-WBQNTZJQSA-N 2 0 288.435 3.000 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000423291134 383057230 /nfs/dbraw/zinc/05/72/30/383057230.db2.gz GZNRXCFPUVGIDW-LIRZEXBASA-N 3 0 287.451 2.669 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423334858 383058299 /nfs/dbraw/zinc/05/82/99/383058299.db2.gz GCGKLIRMWNPVSS-KRWDZBQOSA-N 2 0 272.392 2.582 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423339917 383059530 /nfs/dbraw/zinc/05/95/30/383059530.db2.gz BRFYZYNOVONCLI-XHSVMWQWSA-N 2 0 287.451 2.965 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CSCCc3ccccc32)CCC[NH2+]C1 ZINC000423343717 383059703 /nfs/dbraw/zinc/05/97/03/383059703.db2.gz NRDCAUWYHMHBSL-IRXDYDNUSA-N 2 0 290.476 2.996 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000423349790 383060108 /nfs/dbraw/zinc/06/01/08/383060108.db2.gz XMKWDSJSMMAKRP-OAHLLOKOSA-N 2 0 262.784 2.837 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423353310 383060637 /nfs/dbraw/zinc/06/06/37/383060637.db2.gz LQCRPWHCVREGTI-WBVHZDCISA-N 2 0 271.408 2.617 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423363559 383065333 /nfs/dbraw/zinc/06/53/33/383065333.db2.gz AOUQEVWOWOWKJM-YCPHGPKFSA-N 2 0 292.423 2.503 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423366816 383066135 /nfs/dbraw/zinc/06/61/35/383066135.db2.gz QOMZBUNHMFPSRZ-SJLPKXTDSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC[NH2+]1 ZINC000423365845 383066519 /nfs/dbraw/zinc/06/65/19/383066519.db2.gz BZPLIPMGWHMYFH-CYGHRXIMSA-N 2 0 288.435 2.884 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000423368230 383067408 /nfs/dbraw/zinc/06/74/08/383067408.db2.gz DFQGGPBWYMJOTF-UHTWSYAYSA-N 2 0 266.360 2.755 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000579960448 383070312 /nfs/dbraw/zinc/07/03/12/383070312.db2.gz SIFCRXXKKUPOKL-CYBMUJFWSA-N 2 0 255.365 2.700 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423396440 383080422 /nfs/dbraw/zinc/08/04/22/383080422.db2.gz NVMQDKKTEXUPON-DEYYWGMASA-N 2 0 298.434 2.829 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCC2 ZINC000423378777 383072422 /nfs/dbraw/zinc/07/24/22/383072422.db2.gz ZVYPUJYAIOHQEA-CXAGYDPISA-N 2 0 258.409 2.968 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423377808 383072464 /nfs/dbraw/zinc/07/24/64/383072464.db2.gz KKMMEBBGQHFCRD-MCIONIFRSA-N 2 0 264.413 2.775 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423378736 383072669 /nfs/dbraw/zinc/07/26/69/383072669.db2.gz ZROFZZPDODTYKJ-CZUORRHYSA-N 2 0 259.397 2.665 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2)CC[NH2+]CC1 ZINC000423379520 383073638 /nfs/dbraw/zinc/07/36/38/383073638.db2.gz CZODTORJRCTOIK-GFCCVEGCSA-N 2 0 298.377 2.632 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000423384526 383076345 /nfs/dbraw/zinc/07/63/45/383076345.db2.gz QIYHDRBQYDQBOD-FMKPAKJESA-N 2 0 284.407 2.663 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423030427 383019856 /nfs/dbraw/zinc/01/98/56/383019856.db2.gz JRAGUHDICQPRRV-STQMWFEESA-N 2 0 286.341 2.896 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000423031274 383021328 /nfs/dbraw/zinc/02/13/28/383021328.db2.gz WXUJCSUKDOZUQY-CYBMUJFWSA-N 2 0 296.842 2.715 20 0 CFADRP CC[C@@H]([NH2+]CCC1CCC(OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423030998 383021389 /nfs/dbraw/zinc/02/13/89/383021389.db2.gz CMLLYTIPMDNXBC-FJBKBRRZSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000423031221 383021564 /nfs/dbraw/zinc/02/15/64/383021564.db2.gz KTRWAEGTAROBSK-DZGCQCFKSA-N 2 0 279.403 2.748 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423034893 383022541 /nfs/dbraw/zinc/02/25/41/383022541.db2.gz QPWITODHRBJMRZ-AHCXZYCDSA-N 2 0 290.451 2.740 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423040291 383025393 /nfs/dbraw/zinc/02/53/93/383025393.db2.gz SZBOBSXOFOGNTL-KGLIPLIRSA-N 2 0 276.424 2.832 20 0 CFADRP CC1=CC[N@H+](CCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423040496 383026087 /nfs/dbraw/zinc/02/60/87/383026087.db2.gz UINOBTOZRFBDSW-RBUKOAKNSA-N 2 0 299.462 2.721 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423044553 383027692 /nfs/dbraw/zinc/02/76/92/383027692.db2.gz BHJVTKNXNAYTTC-UTUOFQBUSA-N 2 0 266.433 2.723 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246908141 383119381 /nfs/dbraw/zinc/11/93/81/383119381.db2.gz MNXHPPBVTNHAAY-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC2(OC)CCC2)C1 ZINC000339009161 383119545 /nfs/dbraw/zinc/11/95/45/383119545.db2.gz ALTXOADSHJIPGG-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000423494367 383120023 /nfs/dbraw/zinc/12/00/23/383120023.db2.gz RXSUNWOFSPJRRK-XNRPHZJLSA-N 2 0 276.449 2.734 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000423493400 383120362 /nfs/dbraw/zinc/12/03/62/383120362.db2.gz PWXLAGOPUFILLQ-NHCYSSNCSA-N 2 0 254.324 2.743 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423492904 383120477 /nfs/dbraw/zinc/12/04/77/383120477.db2.gz OYTAGDNQZWAJHP-LXZKKBNFSA-N 2 0 298.434 2.959 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000423492465 383120688 /nfs/dbraw/zinc/12/06/88/383120688.db2.gz NESBLHGGGSAWAX-GVXVVHGQSA-N 2 0 266.360 2.612 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccnn1C ZINC000423499086 383122483 /nfs/dbraw/zinc/12/24/83/383122483.db2.gz ALKUJOGVHACEQL-UKRRQHHQSA-N 2 0 272.396 2.551 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423498091 383122601 /nfs/dbraw/zinc/12/26/01/383122601.db2.gz ZXTKDUWTABJZKQ-IHRRRGAJSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423498654 383122946 /nfs/dbraw/zinc/12/29/46/383122946.db2.gz HBVZBUISUMJCBU-BMFZPTHFSA-N 2 0 261.413 2.510 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423501088 383123643 /nfs/dbraw/zinc/12/36/43/383123643.db2.gz KXFGWHQPUAMOOX-OLMNPRSZSA-N 2 0 287.451 2.539 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000423502219 383124169 /nfs/dbraw/zinc/12/41/69/383124169.db2.gz JVIGYYCMDNURCL-LZWOXQAQSA-N 2 0 298.434 2.865 20 0 CFADRP CCC[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521188 383125139 /nfs/dbraw/zinc/12/51/39/383125139.db2.gz FZHWBRCJXKSCGE-MGWQBKBZSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423532655 383125972 /nfs/dbraw/zinc/12/59/72/383125972.db2.gz VOVBCZAXHGEJCE-LUCZXWKPSA-N 2 0 262.441 2.918 20 0 CFADRP CC[C@H](C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423550494 383126994 /nfs/dbraw/zinc/12/69/94/383126994.db2.gz NXUHNIFWDSLXFH-LXZKKBNFSA-N 2 0 274.408 2.878 20 0 CFADRP CC[C@H](C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423550496 383127902 /nfs/dbraw/zinc/12/79/02/383127902.db2.gz NXUHNIFWDSLXFH-YSVLISHTSA-N 2 0 274.408 2.878 20 0 CFADRP Cc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1F ZINC000449012069 383131155 /nfs/dbraw/zinc/13/11/55/383131155.db2.gz XZDBJFHNHIBYCU-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449012226 383131583 /nfs/dbraw/zinc/13/15/83/383131583.db2.gz ZUYJWTJOIPVJFI-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP Cc1cccc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000449013496 383132430 /nfs/dbraw/zinc/13/24/30/383132430.db2.gz LEIXTMRWKYQIBK-QGZVFWFLSA-N 2 0 260.425 2.811 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247058183 383136581 /nfs/dbraw/zinc/13/65/81/383136581.db2.gz ZQTPDVFBLFATLM-YOEHRIQHSA-N 2 0 276.424 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000247057512 383136717 /nfs/dbraw/zinc/13/67/17/383136717.db2.gz XFSMSIZQXGMERO-OWCLPIDISA-N 2 0 282.472 2.758 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339068228 383138231 /nfs/dbraw/zinc/13/82/31/383138231.db2.gz NCKYBSGFUAIYEP-GJZGRUSLSA-N 2 0 292.398 2.593 20 0 CFADRP Fc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000339070216 383138762 /nfs/dbraw/zinc/13/87/62/383138762.db2.gz XVRSGFNHKRJOCY-KBPBESRZSA-N 2 0 296.361 2.560 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000247140321 383146893 /nfs/dbraw/zinc/14/68/93/383146893.db2.gz SFRFIDSBKKBUMR-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C2CC2)c1 ZINC000423398398 383081650 /nfs/dbraw/zinc/08/16/50/383081650.db2.gz OWHHZFFAOKNSSL-WBAXXEDZSA-N 2 0 272.436 2.904 20 0 CFADRP Cc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C2CC2)c1 ZINC000423398387 383081918 /nfs/dbraw/zinc/08/19/18/383081918.db2.gz OWHHZFFAOKNSSL-JLSDUUJJSA-N 2 0 272.436 2.904 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)cc2c1C[NH2+]C2 ZINC000423397520 383081997 /nfs/dbraw/zinc/08/19/97/383081997.db2.gz TUMQUTZXYHVPFT-DLBZAZTESA-N 2 0 256.393 2.958 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC[NH2+]CC1 ZINC000423397997 383082472 /nfs/dbraw/zinc/08/24/72/383082472.db2.gz COQDZMLPXVZEON-WMLDXEAASA-N 2 0 288.435 2.841 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423402662 383083161 /nfs/dbraw/zinc/08/31/61/383083161.db2.gz ROLJVTRNTMFBPF-NXHRZFHOSA-N 2 0 290.451 2.815 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423404620 383084568 /nfs/dbraw/zinc/08/45/68/383084568.db2.gz SOHOOJSXNZWIDQ-XHBSWPGZSA-N 2 0 282.378 2.874 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccncc1 ZINC000423406951 383085842 /nfs/dbraw/zinc/08/58/42/383085842.db2.gz ZNRYHPHEXJGVMS-KRWDZBQOSA-N 2 0 267.376 2.926 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423409013 383086344 /nfs/dbraw/zinc/08/63/44/383086344.db2.gz YHUCLCUQHDQGSW-YDHLFZDLSA-N 2 0 292.423 2.661 20 0 CFADRP CCCC[C@H](COC)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423407338 383086543 /nfs/dbraw/zinc/08/65/43/383086543.db2.gz ZXNNJQKJCJFDTB-MRXNPFEDSA-N 2 0 262.397 2.585 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423410056 383086953 /nfs/dbraw/zinc/08/69/53/383086953.db2.gz ZQCUQYCDAIVLPT-QXWBOSQLSA-N 2 0 288.435 2.775 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCCCC1 ZINC000423411021 383087781 /nfs/dbraw/zinc/08/77/81/383087781.db2.gz SYNNMWRURJIWCW-MRXNPFEDSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000423426035 383091788 /nfs/dbraw/zinc/09/17/88/383091788.db2.gz OWBZBUVUNQMHFY-FPCVCCKLSA-N 2 0 282.472 2.933 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000423425281 383091951 /nfs/dbraw/zinc/09/19/51/383091951.db2.gz DKAMRUQLNSQBFM-LEWSCRJBSA-N 2 0 279.453 2.799 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423424118 383091974 /nfs/dbraw/zinc/09/19/74/383091974.db2.gz MNDYTCFFNUDUKX-RBSFLKMASA-N 2 0 261.413 2.806 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1F ZINC000423432147 383094144 /nfs/dbraw/zinc/09/41/44/383094144.db2.gz JCVLZARCOZFQFS-DIOULYMOSA-N 2 0 292.398 2.873 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000423435505 383095142 /nfs/dbraw/zinc/09/51/42/383095142.db2.gz OTCMGEIKEGAGBY-FMKPAKJESA-N 2 0 264.413 2.870 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423443162 383098104 /nfs/dbraw/zinc/09/81/04/383098104.db2.gz VMOBCHCTGNKEMP-KFONTPFHSA-N 2 0 282.840 2.701 20 0 CFADRP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCN2 ZINC000423443932 383098132 /nfs/dbraw/zinc/09/81/32/383098132.db2.gz LAPVGEMLZMGIDL-SJORKVTESA-N 2 0 285.435 2.761 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000423445104 383098709 /nfs/dbraw/zinc/09/87/09/383098709.db2.gz XKVBZOPETQDFGV-CABCVRRESA-N 2 0 291.439 2.535 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423447189 383099665 /nfs/dbraw/zinc/09/96/65/383099665.db2.gz TXFSSBWIUJGSNK-OFQRWUPVSA-N 2 0 277.387 2.650 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423449703 383100110 /nfs/dbraw/zinc/10/01/10/383100110.db2.gz GPZRYNAOVTUMNP-NSNWQYSKSA-N 2 0 276.424 2.904 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423447598 383100190 /nfs/dbraw/zinc/10/01/90/383100190.db2.gz ZQROTEVYONSFNL-ZLTXHLNPSA-N 2 0 250.430 2.789 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423450467 383100609 /nfs/dbraw/zinc/10/06/09/383100609.db2.gz TTXRGHKZEZMEFR-CVEARBPZSA-N 2 0 273.424 2.652 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423455498 383101519 /nfs/dbraw/zinc/10/15/19/383101519.db2.gz CNGWUTPISSIODR-VIRABCJISA-N 2 0 262.397 2.558 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000423453917 383101639 /nfs/dbraw/zinc/10/16/39/383101639.db2.gz BLGQAGLOMIEXPR-SLEUVZQESA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423455493 383102078 /nfs/dbraw/zinc/10/20/78/383102078.db2.gz CNGWUTPISSIODR-JURCDPSOSA-N 2 0 262.397 2.558 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1Cl ZINC000423456474 383102912 /nfs/dbraw/zinc/10/29/12/383102912.db2.gz NRNLKFFZZLFLRW-UWVGGRQHSA-N 2 0 271.792 2.522 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423458625 383103151 /nfs/dbraw/zinc/10/31/51/383103151.db2.gz QHVPHQWIHKYEQC-NVXWUHKLSA-N 2 0 278.440 2.945 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C(F)F)C1 ZINC000423460950 383104049 /nfs/dbraw/zinc/10/40/49/383104049.db2.gz BVQGZQBIJBZKPZ-RRFJBIMHSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423460953 383104422 /nfs/dbraw/zinc/10/44/22/383104422.db2.gz SESPGWSAUBKXSU-FVQBIDKESA-N 2 0 276.424 2.950 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1OC ZINC000423462803 383105307 /nfs/dbraw/zinc/10/53/07/383105307.db2.gz FDKMBBJMNALQAT-KBUPBQIOSA-N 2 0 268.445 2.687 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCC[NH3+])CCS2 ZINC000423469211 383107501 /nfs/dbraw/zinc/10/75/01/383107501.db2.gz YQUSAGNHTVRPFG-BXUZGUMPSA-N 2 0 280.437 2.949 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000423468167 383107681 /nfs/dbraw/zinc/10/76/81/383107681.db2.gz JMJDGPUFCCTWCJ-KFNAQCHYSA-N 2 0 298.377 2.759 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423472129 383109535 /nfs/dbraw/zinc/10/95/35/383109535.db2.gz XMNLFCRSZUFGDN-ILXRZTDVSA-N 2 0 289.423 2.511 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000584537354 383111460 /nfs/dbraw/zinc/11/14/60/383111460.db2.gz AZNSFBVKSCXIOS-QGZVFWFLSA-N 2 0 292.467 2.729 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423480121 383113154 /nfs/dbraw/zinc/11/31/54/383113154.db2.gz MWXZIOFFLWIEDG-UQPPLGOBSA-N 2 0 296.455 2.620 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423484017 383114967 /nfs/dbraw/zinc/11/49/67/383114967.db2.gz YCNSTHCKQQDNFR-WDEREUQCSA-N 2 0 256.340 2.613 20 0 CFADRP COC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423484880 383115044 /nfs/dbraw/zinc/11/50/44/383115044.db2.gz RFCAGMREOVYCAW-XJKSGUPXSA-N 2 0 298.377 2.774 20 0 CFADRP COCC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000449091596 383171625 /nfs/dbraw/zinc/17/16/25/383171625.db2.gz QPMLPMNJPPKNJJ-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424081285 383176844 /nfs/dbraw/zinc/17/68/44/383176844.db2.gz VCBUKOABBUMITB-HOTGVXAUSA-N 2 0 297.487 2.698 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000449103239 383177302 /nfs/dbraw/zinc/17/73/02/383177302.db2.gz AAAIEZQISHGQNS-CJNGLKHVSA-N 2 0 282.497 2.982 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449186113 383182148 /nfs/dbraw/zinc/18/21/48/383182148.db2.gz HKRVPZFDBWUFNQ-OAHLLOKOSA-N 2 0 280.456 2.534 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(COC)CC2)[C@H](C)C1 ZINC000449168317 383182817 /nfs/dbraw/zinc/18/28/17/383182817.db2.gz LZNZKZMJFHPRKW-LMPOIIKSSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000566610339 383193200 /nfs/dbraw/zinc/19/32/00/383193200.db2.gz DJWZRWARMYTUOE-AEFFLSMTSA-N 2 0 288.435 2.758 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)s1 ZINC000566614436 383193706 /nfs/dbraw/zinc/19/37/06/383193706.db2.gz UXLDLJAPXWGSKB-LLVKDONJSA-N 2 0 252.427 2.961 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000566620775 383194365 /nfs/dbraw/zinc/19/43/65/383194365.db2.gz WAEPGIUSFQNDDL-GOSISDBHSA-N 2 0 282.387 2.931 20 0 CFADRP CC(C)n1cncc1CNc1cc2c(c[nH+]1)CCC2 ZINC000424164938 383195396 /nfs/dbraw/zinc/19/53/96/383195396.db2.gz ANJSVJOPKBPUNJ-UHFFFAOYSA-N 2 0 256.353 2.960 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000518396751 383196498 /nfs/dbraw/zinc/19/64/98/383196498.db2.gz KSWPOFQHXKPJKS-HZPDHXFCSA-N 2 0 276.424 2.877 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339438244 383196950 /nfs/dbraw/zinc/19/69/50/383196950.db2.gz BQXLFAAZQSHCQI-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP Cc1cccc(CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000449281650 383197150 /nfs/dbraw/zinc/19/71/50/383197150.db2.gz DUFUYRWOUGXKRK-QGZVFWFLSA-N 2 0 260.425 2.954 20 0 CFADRP CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000566732255 383204735 /nfs/dbraw/zinc/20/47/35/383204735.db2.gz PZYFQIVSDDZAMU-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000424363701 383205107 /nfs/dbraw/zinc/20/51/07/383205107.db2.gz BZZXJSGWCPTIHJ-RRFJBIMHSA-N 2 0 264.800 2.667 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000518753929 383206786 /nfs/dbraw/zinc/20/67/86/383206786.db2.gz YOLLAUPPILDRON-GJZGRUSLSA-N 2 0 275.440 2.645 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000247170951 383149969 /nfs/dbraw/zinc/14/99/69/383149969.db2.gz UQGSQVFLTCLFGW-PVAVHDDUSA-N 2 0 282.472 2.902 20 0 CFADRP COCCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449063204 383157769 /nfs/dbraw/zinc/15/77/69/383157769.db2.gz LWMQEIOQXFIPJI-INIZCTEOSA-N 2 0 290.451 2.708 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000449084634 383167642 /nfs/dbraw/zinc/16/76/42/383167642.db2.gz YLXFHRXPWLEDTM-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000567291376 383260477 /nfs/dbraw/zinc/26/04/77/383260477.db2.gz ZJZNFIBLQONDNE-HOTGVXAUSA-N 2 0 299.418 2.863 20 0 CFADRP CC(C)(CO)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449406785 383272498 /nfs/dbraw/zinc/27/24/98/383272498.db2.gz CKPWZQKGBZHDIO-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC1CCOCC1 ZINC000423144005 532976628 /nfs/dbraw/zinc/97/66/28/532976628.db2.gz FWMGENXMXMYNFZ-CRAIPNDOSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566926533 383226639 /nfs/dbraw/zinc/22/66/39/383226639.db2.gz MZGGYFQLPFOUMG-OAGGEKHMSA-N 3 0 267.461 2.501 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000567029038 383234978 /nfs/dbraw/zinc/23/49/78/383234978.db2.gz ONCQTCNETIQSNQ-ZMYBRWDISA-N 2 0 297.446 2.960 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000567103774 383241177 /nfs/dbraw/zinc/24/11/77/383241177.db2.gz OAZNTTBVASHXKL-STQMWFEESA-N 2 0 296.377 2.544 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000567889941 383327292 /nfs/dbraw/zinc/32/72/92/383327292.db2.gz NVLIDNYZXGABKK-CABCVRRESA-N 2 0 298.377 2.951 20 0 CFADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567890110 383327515 /nfs/dbraw/zinc/32/75/15/383327515.db2.gz MOJNKZRRNGXXDN-IRXDYDNUSA-N 2 0 296.414 2.760 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000249107935 383328028 /nfs/dbraw/zinc/32/80/28/383328028.db2.gz QSDVOYDZOSPMOO-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000339818536 383328825 /nfs/dbraw/zinc/32/88/25/383328825.db2.gz CTVSIEKMBLLWBT-HZPDHXFCSA-N 2 0 268.445 2.608 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732874 383335307 /nfs/dbraw/zinc/33/53/07/383335307.db2.gz RAVKEPMKTMOGSO-AWEZNQCLSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000634733087 383335590 /nfs/dbraw/zinc/33/55/90/383335590.db2.gz WYLLKGYPMNCNKD-ZDUSSCGKSA-N 2 0 280.387 2.702 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000634733816 383336707 /nfs/dbraw/zinc/33/67/07/383336707.db2.gz OUBJKHFNTNDEBA-MRXNPFEDSA-N 2 0 286.419 2.830 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000567515900 383284211 /nfs/dbraw/zinc/28/42/11/383284211.db2.gz IWOCCSUAQVNRIC-KURKYZTESA-N 2 0 290.451 2.615 20 0 CFADRP OC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000449425538 383284831 /nfs/dbraw/zinc/28/48/31/383284831.db2.gz HOGLHSLJUALVGS-ZBFHGGJFSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459655505 383292191 /nfs/dbraw/zinc/29/21/91/383292191.db2.gz IKSGFKKCCCAWGU-HYEYJGRESA-N 2 0 274.383 2.754 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567642438 383297133 /nfs/dbraw/zinc/29/71/33/383297133.db2.gz BDRMBCWTZDVSFQ-SLEUVZQESA-N 2 0 283.847 2.658 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000459789209 383297983 /nfs/dbraw/zinc/29/79/83/383297983.db2.gz QLFBDICVMQYHMF-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634679679 383308335 /nfs/dbraw/zinc/30/83/35/383308335.db2.gz BOMXJUFIVJMJKJ-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000249030747 383318254 /nfs/dbraw/zinc/31/82/54/383318254.db2.gz BESWWOKXEBEMBQ-VDHUWJSZSA-N 2 0 288.435 2.522 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000249038821 383319364 /nfs/dbraw/zinc/31/93/64/383319364.db2.gz UDZCFMJLBDQJCM-NPYXIHBLSA-N 2 0 274.408 2.589 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)c2c1 ZINC000634688047 383319851 /nfs/dbraw/zinc/31/98/51/383319851.db2.gz GOKSZMBZHLGMJS-KSSFIOAISA-N 2 0 281.403 2.809 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC000634688358 383320126 /nfs/dbraw/zinc/32/01/26/383320126.db2.gz PTXGUZJHKIJDFV-HNNXBMFYSA-N 2 0 269.392 2.938 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)c2c1 ZINC000634688048 383320145 /nfs/dbraw/zinc/32/01/45/383320145.db2.gz GOKSZMBZHLGMJS-RDTXWAMCSA-N 2 0 281.403 2.809 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249042455 383320707 /nfs/dbraw/zinc/32/07/07/383320707.db2.gz VEVUKNBHVVYIAI-MGNMYUMUSA-N 2 0 293.499 2.712 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249058357 383323062 /nfs/dbraw/zinc/32/30/62/383323062.db2.gz ZHAGUVOYIFRAIF-DDBAPUKQSA-N 2 0 288.435 2.807 20 0 CFADRP C[C@@H]1C[C@H]1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000567865305 383323831 /nfs/dbraw/zinc/32/38/31/383323831.db2.gz UKEHXIRDACENAH-HYVNUMGLSA-N 2 0 258.409 2.897 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000567871199 383324626 /nfs/dbraw/zinc/32/46/26/383324626.db2.gz YWIDGEVMJMZASD-QWRGUYRKSA-N 2 0 270.804 2.954 20 0 CFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340236794 383388349 /nfs/dbraw/zinc/38/83/49/383388349.db2.gz LQLFCJXCIGZORU-SJORKVTESA-N 2 0 294.483 2.782 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251613259 383391097 /nfs/dbraw/zinc/39/10/97/383391097.db2.gz DNZSDIBBCLJODV-ZWNOBZJWSA-N 2 0 272.314 2.875 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CCOC1(C)C)C(C)C ZINC000340251692 383392438 /nfs/dbraw/zinc/39/24/38/383392438.db2.gz UCUBHWNCLCRRQY-CQSZACIVSA-N 2 0 256.434 2.652 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(C)C ZINC000425951015 383393431 /nfs/dbraw/zinc/39/34/31/383393431.db2.gz LXFLIFNUYCCGLZ-QLFBSQMISA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000251854728 383397011 /nfs/dbraw/zinc/39/70/11/383397011.db2.gz PIGPEXWPGOFIMJ-TVFCKZIOSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000340275369 383399160 /nfs/dbraw/zinc/39/91/60/383399160.db2.gz BVHRYMIXJDLHBZ-MSOLQXFVSA-N 2 0 293.499 2.810 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000568410347 383399714 /nfs/dbraw/zinc/39/97/14/383399714.db2.gz JPKCWECTRUZORX-NJAFHUGGSA-N 2 0 290.451 2.772 20 0 CFADRP C(C[NH+]1CC[C@H]2CCC[C@H]21)OCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426475677 383401964 /nfs/dbraw/zinc/40/19/64/383401964.db2.gz YYUVHLFJJFXJMH-XMTFNYHQSA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000340282775 383402857 /nfs/dbraw/zinc/40/28/57/383402857.db2.gz XTSVHIXQFPITTF-QGZVFWFLSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000340284471 383403985 /nfs/dbraw/zinc/40/39/85/383403985.db2.gz VPKXAWWOUOSJFB-KRWDZBQOSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H]1CCC[C@](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)([NH+](C)C)C1 ZINC000249613648 383353375 /nfs/dbraw/zinc/35/33/75/383353375.db2.gz KUFLBGYNFLMDPR-QCLGFWRNSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H](CC1CCCCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479938501 383413679 /nfs/dbraw/zinc/41/36/79/383413679.db2.gz GUIIKDHJEYCVFQ-CWRNSKLLSA-N 2 0 250.430 2.744 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2CCSCC2)C1 ZINC000250107589 383370737 /nfs/dbraw/zinc/37/07/37/383370737.db2.gz SHPXXAIZGWTWJK-ZIAGYGMSSA-N 2 0 270.486 2.840 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](C)CCc2ccccc2)C1 ZINC000470016760 383374723 /nfs/dbraw/zinc/37/47/23/383374723.db2.gz VKBCNMNKYAOSNE-WBVHZDCISA-N 2 0 260.425 2.797 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000470008362 383374894 /nfs/dbraw/zinc/37/48/94/383374894.db2.gz HYFNUHFGPVILPT-CABCVRRESA-N 2 0 276.424 2.730 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000469978668 383375238 /nfs/dbraw/zinc/37/52/38/383375238.db2.gz LFRXNBASKKFXFC-MRXNPFEDSA-N 2 0 287.451 2.871 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000250836657 383381326 /nfs/dbraw/zinc/38/13/26/383381326.db2.gz MUYKPXRQPBAIGW-RBSFLKMASA-N 2 0 279.453 2.852 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2SCCc3ccccc32)C1 ZINC000568247818 383381516 /nfs/dbraw/zinc/38/15/16/383381516.db2.gz YENZWRLZHNRWCE-FMKPAKJESA-N 2 0 276.449 2.877 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCS1 ZINC000250858322 383381745 /nfs/dbraw/zinc/38/17/45/383381745.db2.gz PVGRBDOPPQEDQZ-LXTVHRRPSA-N 2 0 268.470 2.782 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000568249052 383381786 /nfs/dbraw/zinc/38/17/86/383381786.db2.gz GGNAOHSSIRSBET-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000568247102 383381825 /nfs/dbraw/zinc/38/18/25/383381825.db2.gz BRCLAANRSTZLBA-YDHLFZDLSA-N 2 0 260.381 2.596 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250891216 383382192 /nfs/dbraw/zinc/38/21/92/383382192.db2.gz DNMWFYPCAPVGLQ-BPUTZDHNSA-N 2 0 274.408 2.973 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000340229238 383385218 /nfs/dbraw/zinc/38/52/18/383385218.db2.gz SQGPCMCNRDEHMT-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@]2(C)CCCO2)CC1 ZINC000340230454 383386306 /nfs/dbraw/zinc/38/63/06/383386306.db2.gz IXFZVNPAOSIOAJ-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(F)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667163 383426308 /nfs/dbraw/zinc/42/63/08/383426308.db2.gz FZYBWYRDFOZYPX-CVEARBPZSA-N 2 0 262.372 2.851 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCOCC1 ZINC000568717295 383429193 /nfs/dbraw/zinc/42/91/93/383429193.db2.gz XCDPEEZJSMGDEU-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423328165 532983639 /nfs/dbraw/zinc/98/36/39/532983639.db2.gz LTXHGDKVLYSDQG-ZDUSSCGKSA-N 2 0 292.423 2.744 20 0 CFADRP C[C@H](F)CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000340471298 383431992 /nfs/dbraw/zinc/43/19/92/383431992.db2.gz VQKRHMNNBNJEQM-YCPHGPKFSA-N 2 0 279.403 2.630 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000252759740 383432293 /nfs/dbraw/zinc/43/22/93/383432293.db2.gz CTNMLKFTOGHUQA-OLMNPRSZSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252842358 383437701 /nfs/dbraw/zinc/43/77/01/383437701.db2.gz CMXSNGXPORUWOK-SHPPOPEUSA-N 2 0 262.372 2.946 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ncc(C)cc2C)[C@H](C)C1 ZINC000568862507 383443419 /nfs/dbraw/zinc/44/34/19/383443419.db2.gz PUGKXGAVOIPIQB-SJLPKXTDSA-N 2 0 289.467 2.903 20 0 CFADRP C[NH+](C)CCCOc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000526978174 383445024 /nfs/dbraw/zinc/44/50/24/383445024.db2.gz DICWKLAEDXZELP-UHFFFAOYSA-N 2 0 280.387 2.609 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253184074 383446739 /nfs/dbraw/zinc/44/67/39/383446739.db2.gz HBRKALGIEKSUAP-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP Fc1cccc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)c1 ZINC000634991636 383446860 /nfs/dbraw/zinc/44/68/60/383446860.db2.gz MMBRATDJAAOFEJ-DSSZZKGTSA-N 2 0 260.356 2.715 20 0 CFADRP CCOc1ccc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991463 383447099 /nfs/dbraw/zinc/44/70/99/383447099.db2.gz FQVSIPCDOLCPQO-GMXGEUMGSA-N 2 0 286.419 2.974 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000634995956 383450481 /nfs/dbraw/zinc/45/04/81/383450481.db2.gz VAVBUYBRDRPZAK-CVEARBPZSA-N 2 0 296.418 2.690 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995799 383450533 /nfs/dbraw/zinc/45/05/33/383450533.db2.gz PHFHITZPAXJCDH-UHFFFAOYSA-N 2 0 258.409 2.614 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000340514157 383451134 /nfs/dbraw/zinc/45/11/34/383451134.db2.gz HJIKGECPGYHRMT-XHSDSOJGSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000527099216 383453547 /nfs/dbraw/zinc/45/35/47/383453547.db2.gz KGCVUMIHIWXNGQ-KRWDZBQOSA-N 2 0 278.440 2.769 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@H]1C[NH3+] ZINC000634998884 383454727 /nfs/dbraw/zinc/45/47/27/383454727.db2.gz MMAQPLKHVMVZIX-CXAGYDPISA-N 2 0 299.393 2.914 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000340521163 383455341 /nfs/dbraw/zinc/45/53/41/383455341.db2.gz YPUJTMMUKYZWSL-YYIAUSFCSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000634999263 383455629 /nfs/dbraw/zinc/45/56/29/383455629.db2.gz RTHPSSFIQAZHFT-HZPDHXFCSA-N 2 0 276.424 2.762 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(Cc3nccs3)CC2)CC[NH2+]1 ZINC000634999217 383455693 /nfs/dbraw/zinc/45/56/93/383455693.db2.gz RHRVNSSRXYXXMS-UKRRQHHQSA-N 2 0 293.480 2.786 20 0 CFADRP CCC1(CC)[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1OC ZINC000635003929 383459345 /nfs/dbraw/zinc/45/93/45/383459345.db2.gz FZJPMLICFMIUQX-AJNGGQMLSA-N 2 0 268.445 2.687 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635003794 383459601 /nfs/dbraw/zinc/45/96/01/383459601.db2.gz BINUNEHTXVECPT-RCCFBDPRSA-N 2 0 290.451 2.741 20 0 CFADRP CC(C)C1CC([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000635003617 383459662 /nfs/dbraw/zinc/45/96/62/383459662.db2.gz AYVDFHASDSKAFE-AQFXKWCLSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCC12CC2 ZINC000635005248 383460336 /nfs/dbraw/zinc/46/03/36/383460336.db2.gz SWVMARPDFFDYOA-BPUTZDHNSA-N 2 0 258.409 2.867 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000635004452 383460854 /nfs/dbraw/zinc/46/08/54/383460854.db2.gz OSGJTNHMDGTCLD-BHTHQVBYSA-N 2 0 296.361 2.654 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1C[C@H]1C ZINC000635004456 383460945 /nfs/dbraw/zinc/46/09/45/383460945.db2.gz OSWDCLOFLHZZED-JLZZUVOBSA-N 2 0 258.409 2.857 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C2 ZINC000635004023 383461144 /nfs/dbraw/zinc/46/11/44/383461144.db2.gz GPIBFASXCPZBQI-FVQBIDKESA-N 2 0 288.435 2.660 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635005646 383461850 /nfs/dbraw/zinc/46/18/50/383461850.db2.gz JLJZAWMWPNUJFM-LZWOXQAQSA-N 2 0 273.424 2.693 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000635006176 383462324 /nfs/dbraw/zinc/46/23/24/383462324.db2.gz LIQCEKRLEXLLSM-UMVBOHGHSA-N 2 0 290.407 2.626 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006150 383462441 /nfs/dbraw/zinc/46/24/41/383462441.db2.gz LBKWGMRXAUXNPX-RHSMWYFYSA-N 2 0 269.392 2.692 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006768 383462908 /nfs/dbraw/zinc/46/29/08/383462908.db2.gz NLSRFPUXFBWLBB-MGPQQGTHSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635006534 383463350 /nfs/dbraw/zinc/46/33/50/383463350.db2.gz YZASOHLVIGWBEU-IMSIIYSGSA-N 2 0 288.794 2.618 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000635006180 383463418 /nfs/dbraw/zinc/46/34/18/383463418.db2.gz LIQCEKRLEXLLSM-YDHLFZDLSA-N 2 0 290.407 2.626 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006507 383463548 /nfs/dbraw/zinc/46/35/48/383463548.db2.gz RQEOYHJMAGWNOC-LALPHHSUSA-N 2 0 292.398 2.929 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007822 383464028 /nfs/dbraw/zinc/46/40/28/383464028.db2.gz BMTHMEIXKPJEIH-KKUMJFAQSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CCSCC1 ZINC000635007582 383464059 /nfs/dbraw/zinc/46/40/59/383464059.db2.gz DTJVECPXIRXRGW-CYBMUJFWSA-N 2 0 290.476 2.954 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000635007759 383464454 /nfs/dbraw/zinc/46/44/54/383464454.db2.gz XTZKDTHKHDCVOP-QEJZJMRPSA-N 2 0 259.397 2.566 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCCC2 ZINC000635008073 383464755 /nfs/dbraw/zinc/46/47/55/383464755.db2.gz YXZXOLVPDHLGCM-VGWMRTNUSA-N 2 0 280.456 2.831 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1 ZINC000635007544 383464774 /nfs/dbraw/zinc/46/47/74/383464774.db2.gz RAINELSJUPCRSD-HUBLWGQQSA-N 2 0 250.361 2.994 20 0 CFADRP COCC1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635010448 383466852 /nfs/dbraw/zinc/46/68/52/383466852.db2.gz LHGHGPQTIKIFAK-UHFFFAOYSA-N 2 0 288.435 2.627 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000635010302 383466990 /nfs/dbraw/zinc/46/69/90/383466990.db2.gz JKXRSBSXMUAHMD-ZFWWWQNUSA-N 2 0 278.444 2.893 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012042 383468476 /nfs/dbraw/zinc/46/84/76/383468476.db2.gz IVORZJKDDCMADS-DOMZBBRYSA-N 2 0 257.381 2.646 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635012381 383468662 /nfs/dbraw/zinc/46/86/62/383468662.db2.gz LYPTXIIVLOYCAH-XHSDSOJGSA-N 2 0 280.456 2.833 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000635012887 383469788 /nfs/dbraw/zinc/46/97/88/383469788.db2.gz WNXJKICSRPHYQR-YMAMQOFZSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635017484 383472913 /nfs/dbraw/zinc/47/29/13/383472913.db2.gz DJXHDUUWQTZUFI-HZPDHXFCSA-N 2 0 269.392 2.984 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H]1CCSC1 ZINC000486952461 383475854 /nfs/dbraw/zinc/47/58/54/383475854.db2.gz YTJVJFXODMBERV-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000569212030 383476980 /nfs/dbraw/zinc/47/69/80/383476980.db2.gz LIDGKHDIUSLCED-ZBFHGGJFSA-N 2 0 299.418 2.851 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CC2(F)CC2)CC1 ZINC000525989099 383417031 /nfs/dbraw/zinc/41/70/31/383417031.db2.gz FWKWWLZEOIJJGB-UHFFFAOYSA-N 2 0 256.409 2.836 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488455437 383545306 /nfs/dbraw/zinc/54/53/06/383545306.db2.gz KBQBYOWWWIBKRZ-ZIAGYGMSSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CS1 ZINC000488454952 383545476 /nfs/dbraw/zinc/54/54/76/383545476.db2.gz JPGBUPOTADFXCC-ZIAGYGMSSA-N 2 0 258.475 2.836 20 0 CFADRP Cc1oc(-c2cccs2)nc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261714887 383546276 /nfs/dbraw/zinc/54/62/76/383546276.db2.gz JQZJFDVKKWJFMH-OAHLLOKOSA-N 2 0 291.420 2.882 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488462200 383547011 /nfs/dbraw/zinc/54/70/11/383547011.db2.gz LNJNPLKZXFBRDT-HZSPNIEDSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488470224 383549058 /nfs/dbraw/zinc/54/90/58/383549058.db2.gz UUTOSGDJQDRJDB-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP C/C(Cl)=C/C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000528363389 383502200 /nfs/dbraw/zinc/50/22/00/383502200.db2.gz DRXQXOVUHVTHFX-VVHNFQOZSA-N 2 0 286.847 2.563 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000261558018 383511746 /nfs/dbraw/zinc/51/17/46/383511746.db2.gz SCXIWEUXQQXGJN-TVQRCGJNSA-N 2 0 256.752 2.567 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1nccs1 ZINC000261565884 383513854 /nfs/dbraw/zinc/51/38/54/383513854.db2.gz FXMSWYQVMCQMFG-XJFOESAGSA-N 2 0 279.453 2.757 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000569581388 383515549 /nfs/dbraw/zinc/51/55/49/383515549.db2.gz JTOIKNFTWIVMKH-IRXDYDNUSA-N 2 0 258.409 2.851 20 0 CFADRP CSC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000429298469 383516152 /nfs/dbraw/zinc/51/61/52/383516152.db2.gz XIRXWIIHGSWXSB-GJZGRUSLSA-N 2 0 270.486 2.936 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCCCO1 ZINC000261572733 383516735 /nfs/dbraw/zinc/51/67/35/383516735.db2.gz UQDRTHJJVYBSIC-OWCLPIDISA-N 2 0 268.445 2.846 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C[C@H]1OC ZINC000429310107 383517377 /nfs/dbraw/zinc/51/73/77/383517377.db2.gz WHBVKDFOHPHXSZ-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000429343268 383521582 /nfs/dbraw/zinc/52/15/82/383521582.db2.gz GLVHRFOMBGPWSW-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000569662043 383523838 /nfs/dbraw/zinc/52/38/38/383523838.db2.gz WCXKDNIEAXJXFJ-YYIAUSFCSA-N 2 0 282.472 2.900 20 0 CFADRP CN(CCC[NH3+])Cc1c(Cl)oc2ccccc21 ZINC000569927227 383551347 /nfs/dbraw/zinc/55/13/47/383551347.db2.gz OUROONRPMHTXOU-UHFFFAOYSA-N 2 0 252.745 2.867 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(-c2ccnn2C)c1 ZINC000261749272 383551694 /nfs/dbraw/zinc/55/16/94/383551694.db2.gz CCIHKSFHECPLCT-CABCVRRESA-N 2 0 298.434 2.565 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)[C@H](C)C1 ZINC000429468210 383535173 /nfs/dbraw/zinc/53/51/73/383535173.db2.gz KIXWVHKHTBHPST-TZMCWYRMSA-N 2 0 290.398 2.511 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000569746702 383535205 /nfs/dbraw/zinc/53/52/05/383535205.db2.gz BTWDOIXCPHXQRW-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488426421 383535687 /nfs/dbraw/zinc/53/56/87/383535687.db2.gz SLOWLSOYQPKCRN-QLFBSQMISA-N 2 0 270.486 2.838 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000261648759 383537124 /nfs/dbraw/zinc/53/71/24/383537124.db2.gz QZVOBYWWYOTKCO-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CS1 ZINC000488432550 383537395 /nfs/dbraw/zinc/53/73/95/383537395.db2.gz PQEMFBVKAZMQIS-RBSFLKMASA-N 2 0 270.486 2.838 20 0 CFADRP COC1(C[C@H](C)[NH2+]CCC[N@H+](C)C(C)C)CCC1 ZINC000429521330 383538779 /nfs/dbraw/zinc/53/87/79/383538779.db2.gz ZNTLBBDITYXGGG-AWEZNQCLSA-N 2 0 256.434 2.654 20 0 CFADRP COC1(C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCC1 ZINC000429520336 383538917 /nfs/dbraw/zinc/53/89/17/383538917.db2.gz XRWHKAWOSRFPJT-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@](C)(C[NH3+])NCc1ccc2ccccc2n1 ZINC000261669940 383541028 /nfs/dbraw/zinc/54/10/28/383541028.db2.gz ZXHZVWGAXUEZDC-INIZCTEOSA-N 2 0 257.381 2.698 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000261683948 383542105 /nfs/dbraw/zinc/54/21/05/383542105.db2.gz HBHJTOMCEYSQHM-INIZCTEOSA-N 2 0 271.364 2.512 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261695543 383543193 /nfs/dbraw/zinc/54/31/93/383543193.db2.gz BWOBEQFOYOOSTK-SJORKVTESA-N 2 0 258.409 2.551 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261888420 383575321 /nfs/dbraw/zinc/57/53/21/383575321.db2.gz SLTPLKXQAREIRY-KBAYOESNSA-N 2 0 272.436 2.939 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccncc2C)C[C@@H]1C ZINC000570206953 383581305 /nfs/dbraw/zinc/58/13/05/383581305.db2.gz XDZDKOBYQXDFNB-DOTOQJQBSA-N 2 0 275.440 2.737 20 0 CFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc(F)cc1Cl)C1CC1 ZINC000262182838 383611654 /nfs/dbraw/zinc/61/16/54/383611654.db2.gz WZUJVTAODKESHN-AWEZNQCLSA-N 2 0 286.778 2.575 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]C1 ZINC000261967417 383588482 /nfs/dbraw/zinc/58/84/82/383588482.db2.gz HXYIGFNSAPCNEQ-ZBFHGGJFSA-N 2 0 262.372 2.615 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261966941 383589121 /nfs/dbraw/zinc/58/91/21/383589121.db2.gz PZACCXFADFLWGA-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261980375 383589281 /nfs/dbraw/zinc/58/92/81/383589281.db2.gz JDXXIOWQDYZFRT-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000570315414 383593191 /nfs/dbraw/zinc/59/31/91/383593191.db2.gz OOHZEFYRYOXWKH-KBPBESRZSA-N 2 0 289.423 2.560 20 0 CFADRP COc1c(C)cnc(CN2C[C@H]([NH3+])Cc3ccccc32)c1C ZINC000262010608 383593726 /nfs/dbraw/zinc/59/37/26/383593726.db2.gz WIWUEBTVMHJDRY-OAHLLOKOSA-N 2 0 297.402 2.597 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000430544228 383594423 /nfs/dbraw/zinc/59/44/23/383594423.db2.gz NSAMWANLWNBNKO-GHJWDPDVSA-N 2 0 262.372 2.872 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000430592439 383595181 /nfs/dbraw/zinc/59/51/81/383595181.db2.gz HIAYUZHFONKMPP-OAGGEKHMSA-N 2 0 270.461 2.887 20 0 CFADRP CCc1cccc(OCC[NH+]2CCC(CC[NH2+]C)CC2)c1 ZINC000262019671 383596399 /nfs/dbraw/zinc/59/63/99/383596399.db2.gz XKNRYJRCIUXRBZ-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000430760449 383599092 /nfs/dbraw/zinc/59/90/92/383599092.db2.gz IUZZSVDGFSQTFK-XQQFMLRXSA-N 2 0 260.372 2.742 20 0 CFADRP COc1ccc(Cl)c(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000262127946 383606747 /nfs/dbraw/zinc/60/67/47/383606747.db2.gz NIAXRIQDCAVVEI-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP Cc1ccccc1CCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430925318 383612989 /nfs/dbraw/zinc/61/29/89/383612989.db2.gz KKFTYVNZJZRLMU-HNNXBMFYSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000569938063 383552934 /nfs/dbraw/zinc/55/29/34/383552934.db2.gz RKWGKJUOMPUITI-MRXNPFEDSA-N 2 0 284.407 2.775 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)ccc2n1 ZINC000261766596 383555573 /nfs/dbraw/zinc/55/55/73/383555573.db2.gz VLDOZBAVSZRKKG-SFHVURJKSA-N 2 0 281.403 2.729 20 0 CFADRP C[C@@H]1C[C@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488528281 383555564 /nfs/dbraw/zinc/55/55/64/383555564.db2.gz APKYMDWSWLLXJO-ZBFHGGJFSA-N 2 0 273.424 2.886 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000570529872 383612860 /nfs/dbraw/zinc/61/28/60/383612860.db2.gz YYKIZXKMVYHRDS-OWCLPIDISA-N 2 0 268.445 2.831 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261776043 383558783 /nfs/dbraw/zinc/55/87/83/383558783.db2.gz FCOKLNIHJJADQU-SFHVURJKSA-N 2 0 298.434 2.566 20 0 CFADRP Cn1cc(CN2CC[C@](C)(C[NH3+])C2)c(C2CCCCC2)n1 ZINC000261813377 383564659 /nfs/dbraw/zinc/56/46/59/383564659.db2.gz XBSJAQFDLINDMO-QGZVFWFLSA-N 2 0 290.455 2.639 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)ccc2O1 ZINC000261822223 383566497 /nfs/dbraw/zinc/56/64/97/383566497.db2.gz YAJBGNURHPNIIA-QGZVFWFLSA-N 2 0 274.408 2.571 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCSc2ccc(C)c(C)c2)C1 ZINC000430920259 383610935 /nfs/dbraw/zinc/61/09/35/383610935.db2.gz OCMZHXCFXCOELF-OAHLLOKOSA-N 2 0 278.465 2.937 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000261833683 383568375 /nfs/dbraw/zinc/56/83/75/383568375.db2.gz JGPKHSAMVJQUMQ-SNVBAGLBSA-N 2 0 265.426 2.580 20 0 CFADRP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261863537 383571008 /nfs/dbraw/zinc/57/10/08/383571008.db2.gz YDGDDTYALNPKFP-NVXWUHKLSA-N 2 0 266.388 2.881 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000261856060 383571260 /nfs/dbraw/zinc/57/12/60/383571260.db2.gz XGLKJVNQAFRPBN-MRXNPFEDSA-N 2 0 287.432 2.981 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])s1 ZINC000570832295 383640791 /nfs/dbraw/zinc/64/07/91/383640791.db2.gz FNRMFKJUUIIKDN-GHMZBOCLSA-N 2 0 255.431 2.557 20 0 CFADRP [NH3+][C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C1CC1 ZINC000570919163 383646500 /nfs/dbraw/zinc/64/65/00/383646500.db2.gz DATDKTIQZNLQNL-HOCLYGCPSA-N 2 0 269.392 2.872 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280897555 195020959 /nfs/dbraw/zinc/02/09/59/195020959.db2.gz PMIGEUCFRBBYNN-MRXNPFEDSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000570955856 383650677 /nfs/dbraw/zinc/65/06/77/383650677.db2.gz JEQOQQSGIJJDQF-GFCCVEGCSA-N 2 0 297.830 2.598 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263103881 383654815 /nfs/dbraw/zinc/65/48/15/383654815.db2.gz ZSHQQLRRWAKWNX-NVXWUHKLSA-N 2 0 289.423 2.642 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430936736 383613333 /nfs/dbraw/zinc/61/33/33/383613333.db2.gz WHTBSISSXUQEEB-CQSZACIVSA-N 2 0 266.816 2.814 20 0 CFADRP C[C@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262318587 383616734 /nfs/dbraw/zinc/61/67/34/383616734.db2.gz DWBXBBGSRPARRD-KGLIPLIRSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(-c4ccccc4)on3)C[C@@H]21 ZINC000262388614 383619321 /nfs/dbraw/zinc/61/93/21/383619321.db2.gz ZPAYEQWGSVCEDT-BHYGNILZSA-N 2 0 297.402 2.901 20 0 CFADRP CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431074755 383628470 /nfs/dbraw/zinc/62/84/70/383628470.db2.gz XSICAJPLUGQFOU-NEPJUHHUSA-N 2 0 280.416 2.664 20 0 CFADRP CC(C)[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000432814735 383750736 /nfs/dbraw/zinc/75/07/36/383750736.db2.gz XOZZLYREBPLCRR-WMZOPIPTSA-N 2 0 296.499 2.980 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000572111544 383755496 /nfs/dbraw/zinc/75/54/96/383755496.db2.gz CIVCODRNUGDPDC-CQSZACIVSA-N 2 0 291.439 2.555 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCn2ccnc21 ZINC000453056158 383763188 /nfs/dbraw/zinc/76/31/88/383763188.db2.gz GBAJPYQNZYMADQ-CABCVRRESA-N 2 0 276.428 2.572 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)c1cn[nH]c1 ZINC000453126842 383776469 /nfs/dbraw/zinc/77/64/69/383776469.db2.gz LEFZSLZNLJBWNF-YCPHGPKFSA-N 2 0 278.444 2.961 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000571109372 383665679 /nfs/dbraw/zinc/66/56/79/383665679.db2.gz AMSPTSHKKBFAEX-FZKCQIBNSA-N 2 0 286.435 2.604 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000640016059 383672476 /nfs/dbraw/zinc/67/24/76/383672476.db2.gz RCLIMNVWWNBTAS-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCCn2ccnc2C)CC1 ZINC000640017561 383672549 /nfs/dbraw/zinc/67/25/49/383672549.db2.gz NWSOAZLIROLGIV-UHFFFAOYSA-N 2 0 292.471 2.778 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCCCOC)CC1 ZINC000640018500 383674304 /nfs/dbraw/zinc/67/43/04/383674304.db2.gz YEAQUVNAUWPPDS-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000178242695 533008760 /nfs/dbraw/zinc/00/87/60/533008760.db2.gz HTQNSYWDEGOPGI-CHWSQXEVSA-N 2 0 289.423 2.671 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC1CCOCC1 ZINC000453215745 383804662 /nfs/dbraw/zinc/80/46/62/383804662.db2.gz GSTKISWPDMEIRX-IIAWOOMASA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc(OCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422894672 533010505 /nfs/dbraw/zinc/01/05/05/533010505.db2.gz CUWUEKPSVNYJRR-DLBZAZTESA-N 2 0 292.423 2.714 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)C1 ZINC000572855778 383827551 /nfs/dbraw/zinc/82/75/51/383827551.db2.gz LWUQAKMTNDJECQ-IAGOWNOFSA-N 2 0 287.451 2.763 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCOC(C)(C)C ZINC000640532088 383818325 /nfs/dbraw/zinc/81/83/25/383818325.db2.gz VXWZWKNLMRDDEW-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP CO[C@@H](C[N@H+](C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000640533338 383820000 /nfs/dbraw/zinc/82/00/00/383820000.db2.gz FKHOVJPHNCQAFS-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CC1CCC(O)(C[NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000572834949 383824096 /nfs/dbraw/zinc/82/40/96/383824096.db2.gz JIEBDKGEBCAGAC-ARWYELJZSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000531143317 383824936 /nfs/dbraw/zinc/82/49/36/383824936.db2.gz RFRVVVKXSOIKIX-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CC2CC2)C(C)C)cc1 ZINC000572587674 383795111 /nfs/dbraw/zinc/79/51/11/383795111.db2.gz GEMGFEMKLHVPAF-INIZCTEOSA-N 2 0 276.424 2.858 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccncc1 ZINC000453198604 383799436 /nfs/dbraw/zinc/79/94/36/383799436.db2.gz PXDGABVTYYDGSH-HNNXBMFYSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000572948374 383844244 /nfs/dbraw/zinc/84/42/44/383844244.db2.gz WSRZBWIVCZDMOQ-SUJAAXHWSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@H+](CCCC[NH2+]C1CC(OC(C)(C)C)C1)C1CC1 ZINC000453400377 383849107 /nfs/dbraw/zinc/84/91/07/383849107.db2.gz LXDVFAPIOWVRBA-UHFFFAOYSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]([NH3+])c1ccccc1 ZINC000572969867 383849528 /nfs/dbraw/zinc/84/95/28/383849528.db2.gz CXJPLYKMBMEZIK-OIISXLGYSA-N 2 0 275.440 2.587 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000453373912 383850212 /nfs/dbraw/zinc/85/02/12/383850212.db2.gz HHTQDQQRISBIQN-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc(F)c(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453596548 383867314 /nfs/dbraw/zinc/86/73/14/383867314.db2.gz LTBVKWNIEDHTQV-UHFFFAOYSA-N 2 0 280.387 2.798 20 0 CFADRP C[C@H](C[NH2+]CCCC[N@H+](C)C1CC1)CC1CCOCC1 ZINC000453599386 383868275 /nfs/dbraw/zinc/86/82/75/383868275.db2.gz QYACGQOVWGCVLQ-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000573107043 383873308 /nfs/dbraw/zinc/87/33/08/383873308.db2.gz QGIHCOPPIMMQGY-YUTCNCBUSA-N 2 0 282.815 2.967 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646106450 383874089 /nfs/dbraw/zinc/87/40/89/383874089.db2.gz YWHACLWWRXCTFH-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646106452 383874170 /nfs/dbraw/zinc/87/41/70/383874170.db2.gz YWHACLWWRXCTFH-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104441 383875058 /nfs/dbraw/zinc/87/50/58/383875058.db2.gz DBTJQSPABNILTH-MRXNPFEDSA-N 2 0 288.435 2.853 20 0 CFADRP C[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646104705 383875115 /nfs/dbraw/zinc/87/51/15/383875115.db2.gz UMCUPYRBKYGKGS-INIZCTEOSA-N 2 0 288.435 2.587 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000573137324 383878309 /nfs/dbraw/zinc/87/83/09/383878309.db2.gz KMQHANIAORTKLR-ZWKOTPCHSA-N 2 0 290.451 2.885 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000422724644 533018514 /nfs/dbraw/zinc/01/85/14/533018514.db2.gz WIVSUORMBMAATE-HNNXBMFYSA-N 2 0 289.423 2.628 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423131214 533019013 /nfs/dbraw/zinc/01/90/13/533019013.db2.gz HNNLOLMHZZJAPT-AWEZNQCLSA-N 2 0 286.366 2.642 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccc(C)cc1C ZINC000422890599 533020991 /nfs/dbraw/zinc/02/09/91/533020991.db2.gz SNAYSSHHGWOIJI-WBVHZDCISA-N 2 0 278.440 2.578 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000532233255 383998565 /nfs/dbraw/zinc/99/85/65/383998565.db2.gz CGWXUYVHGUYIIO-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070344078 412971577 /nfs/dbraw/zinc/97/15/77/412971577.db2.gz NOMZSXLPOBZBKL-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000438077781 383942475 /nfs/dbraw/zinc/94/24/75/383942475.db2.gz VYFIQDAWZQJSMF-GOSISDBHSA-N 2 0 288.435 2.799 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3c(F)cccc32)C1 ZINC000573506987 383943373 /nfs/dbraw/zinc/94/33/73/383943373.db2.gz YGYADPOTIXYCRA-XUJVJEKNSA-N 2 0 278.371 2.899 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)C1CCOCC1 ZINC000531975365 383951484 /nfs/dbraw/zinc/95/14/84/383951484.db2.gz YRSOJDNQLOXKBY-DOTOQJQBSA-N 2 0 280.456 2.798 20 0 CFADRP COCC[NH2+]C1CC[NH+](CC2CCCCCC2)CC1 ZINC000573614366 383962886 /nfs/dbraw/zinc/96/28/86/383962886.db2.gz FZGKPLCTQYSSFQ-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438186091 383967077 /nfs/dbraw/zinc/96/70/77/383967077.db2.gz DSSJPPAEDUPNCQ-QGZVFWFLSA-N 2 0 282.472 2.761 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000574400335 384089057 /nfs/dbraw/zinc/08/90/57/384089057.db2.gz HPTGGBVIUMZGDV-RDBSUJKOSA-N 2 0 292.448 2.517 20 0 CFADRP COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422782249 533030750 /nfs/dbraw/zinc/03/07/50/533030750.db2.gz GDKZPANCVHQCLD-KBPBESRZSA-N 2 0 280.412 2.570 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CCn1ccnc1C ZINC000574509794 384105785 /nfs/dbraw/zinc/10/57/85/384105785.db2.gz DMMLVVNHUFNHQB-INIZCTEOSA-N 2 0 285.391 2.867 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000574584575 384118868 /nfs/dbraw/zinc/11/88/68/384118868.db2.gz IENINWLTXFKROB-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000574531389 384112924 /nfs/dbraw/zinc/11/29/24/384112924.db2.gz BCBCYDWEKMBBFF-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000574563024 384115497 /nfs/dbraw/zinc/11/54/97/384115497.db2.gz KRVPEWMQLMBXOY-TZMCWYRMSA-N 2 0 296.842 2.869 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000574413363 384093784 /nfs/dbraw/zinc/09/37/84/384093784.db2.gz GCWOUPVPRXXKGK-QXSJWSMHSA-N 2 0 281.488 2.602 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000574630393 384123486 /nfs/dbraw/zinc/12/34/86/384123486.db2.gz YXNQFGPSFLYRPY-SFHVURJKSA-N 2 0 272.436 2.905 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422840589 533042447 /nfs/dbraw/zinc/04/24/47/533042447.db2.gz UBQCAGBPYGETFN-LMNGEROHSA-N 2 0 280.456 2.702 20 0 CFADRP CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435372608 285095721 /nfs/dbraw/zinc/09/57/21/285095721.db2.gz SDRFWPRWYRRKNQ-MRXNPFEDSA-N 2 0 299.418 2.904 20 0 CFADRP COc1cccc(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277169051 384219846 /nfs/dbraw/zinc/21/98/46/384219846.db2.gz KQQYRKLETUOLHV-OAHLLOKOSA-N 2 0 262.397 2.611 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000637890056 384254454 /nfs/dbraw/zinc/25/44/54/384254454.db2.gz QWPJHXBJLWMRQR-NVXWUHKLSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)c1noc([C@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000266891491 384256073 /nfs/dbraw/zinc/25/60/73/384256073.db2.gz CVAKBYMSDHWXIY-NWDGAFQWSA-N 2 0 289.383 2.857 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641707299 384278457 /nfs/dbraw/zinc/27/84/57/384278457.db2.gz IQVTTWWZAXBBGN-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000641707429 384278606 /nfs/dbraw/zinc/27/86/06/384278606.db2.gz LPIDMJLPRDGECR-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641708362 384279703 /nfs/dbraw/zinc/27/97/03/384279703.db2.gz YVDAUBKBWDNQEA-MSOLQXFVSA-N 2 0 295.515 2.963 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccncc2N)c1 ZINC000641708130 384279848 /nfs/dbraw/zinc/27/98/48/384279848.db2.gz ORNYFASJLXOLJC-UHFFFAOYSA-N 2 0 298.434 2.795 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000641719809 384291001 /nfs/dbraw/zinc/29/10/01/384291001.db2.gz GOXAMMBTJIPHQB-ZACQAIPSSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)C1(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000638037253 384374249 /nfs/dbraw/zinc/37/42/49/384374249.db2.gz GJAPJZIGULSGIL-KRWDZBQOSA-N 2 0 293.499 2.525 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000641799161 384364246 /nfs/dbraw/zinc/36/42/46/384364246.db2.gz NLKNKFSJBCEGMJ-KRWDZBQOSA-N 2 0 285.391 2.821 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000641799701 384366644 /nfs/dbraw/zinc/36/66/44/384366644.db2.gz PLJCWDYCORWUNA-CYBMUJFWSA-N 2 0 291.439 2.900 20 0 CFADRP CSc1ccc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641802831 384370776 /nfs/dbraw/zinc/37/07/76/384370776.db2.gz PMPAVIBPEQEPJF-ZIAGYGMSSA-N 2 0 280.437 2.503 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cc2)n1 ZINC000641803593 384370909 /nfs/dbraw/zinc/37/09/09/384370909.db2.gz UDHXQCUAVDPWNB-IAGOWNOFSA-N 2 0 298.434 2.705 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cc2)n1 ZINC000641803595 384370966 /nfs/dbraw/zinc/37/09/66/384370966.db2.gz UDHXQCUAVDPWNB-SJORKVTESA-N 2 0 298.434 2.705 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCc1c(F)cccc1Cl ZINC000641803335 384371489 /nfs/dbraw/zinc/37/14/89/384371489.db2.gz SMTLVGUVBQABQM-CHWSQXEVSA-N 2 0 270.779 2.737 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000641802404 384371672 /nfs/dbraw/zinc/37/16/72/384371672.db2.gz KLKXOXXJWFABRW-NEPJUHHUSA-N 2 0 254.324 2.840 20 0 CFADRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)ccc1SC ZINC000641804291 384373212 /nfs/dbraw/zinc/37/32/12/384373212.db2.gz XYAVIPVDPQFZED-KBPBESRZSA-N 2 0 280.437 2.633 20 0 CFADRP CCC[C@H](C)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000267445218 384394446 /nfs/dbraw/zinc/39/44/46/384394446.db2.gz ZMCWNQQYABFAPO-ZDUSSCGKSA-N 2 0 258.369 2.888 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638077912 384395839 /nfs/dbraw/zinc/39/58/39/384395839.db2.gz YGQVJMNNGCASHV-CQSZACIVSA-N 2 0 269.392 2.618 20 0 CFADRP CO[C@@](C)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000638104570 384418787 /nfs/dbraw/zinc/41/87/87/384418787.db2.gz JQLQEQAYMIFCRP-IRXDYDNUSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277862427 384427508 /nfs/dbraw/zinc/42/75/08/384427508.db2.gz NFGYMRVLRPNXEN-KRWDZBQOSA-N 2 0 290.451 2.894 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nccnc3c2)C[C@@H]1C ZINC000638110199 384420815 /nfs/dbraw/zinc/42/08/15/384420815.db2.gz JNROCNNWLUENSM-GOEBONIOSA-N 2 0 298.434 2.934 20 0 CFADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1Cl ZINC000423297428 533058548 /nfs/dbraw/zinc/05/85/48/533058548.db2.gz KGCLWUIZFIBEDT-NXEZZACHSA-N 2 0 286.803 2.603 20 0 CFADRP CC(C)[C@H](C)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000267419290 384386143 /nfs/dbraw/zinc/38/61/43/384386143.db2.gz UCHVLSVDLNGGCI-ZDUSSCGKSA-N 2 0 258.369 2.744 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCSCC2)[C@H](C)C1 ZINC000638115703 384429442 /nfs/dbraw/zinc/42/94/42/384429442.db2.gz VJYFHIAVCQRMRX-UKRRQHHQSA-N 2 0 270.486 2.792 20 0 CFADRP CCC[C@@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)OC ZINC000638123454 384435716 /nfs/dbraw/zinc/43/57/16/384435716.db2.gz WMCBZGPABHRMFH-INIZCTEOSA-N 2 0 270.461 2.855 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)[C@@H](C)CC)C1 ZINC000638127220 384439185 /nfs/dbraw/zinc/43/91/85/384439185.db2.gz IJNXPIYBNCRVNR-HRCADAONSA-N 2 0 270.461 2.711 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCSCC2)C1 ZINC000638133443 384442355 /nfs/dbraw/zinc/44/23/55/384442355.db2.gz KEFOBPLTNYLVFJ-INIZCTEOSA-N 2 0 282.497 2.793 20 0 CFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643031020 384479328 /nfs/dbraw/zinc/47/93/28/384479328.db2.gz FXRCFMKCEXQUET-ABAIWWIYSA-N 2 0 271.339 2.562 20 0 CFADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc2[nH+]1 ZINC000643034321 384482151 /nfs/dbraw/zinc/48/21/51/384482151.db2.gz XLZFFIPHCGYOCS-BBRMVZONSA-N 2 0 267.376 2.731 20 0 CFADRP Fc1cccc([C@H]2CC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000643058195 384487805 /nfs/dbraw/zinc/48/78/05/384487805.db2.gz LNVCXWAIBVZHKL-XJKSGUPXSA-N 2 0 262.372 2.962 20 0 CFADRP c1ccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCS2)cc1 ZINC000643057911 384488176 /nfs/dbraw/zinc/48/81/76/384488176.db2.gz ZPHSTCBUFWHYGL-ZBFHGGJFSA-N 2 0 276.449 2.776 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC1(F)F ZINC000638305526 384545732 /nfs/dbraw/zinc/54/57/32/384545732.db2.gz AKYZQCTYVOXPED-QWHCGFSZSA-N 2 0 260.372 2.742 20 0 CFADRP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000638310296 384549353 /nfs/dbraw/zinc/54/93/53/384549353.db2.gz RSBHGOGWVZLQCP-SFHVURJKSA-N 2 0 288.435 2.797 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638339655 384569407 /nfs/dbraw/zinc/56/94/07/384569407.db2.gz HFAKPKSFPOOAMW-ZBFHGGJFSA-N 2 0 282.472 2.780 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000638361005 384584795 /nfs/dbraw/zinc/58/47/95/384584795.db2.gz YYUVDCZTVQGKBE-IAGOWNOFSA-N 2 0 299.462 2.587 20 0 CFADRP CO[C@H](C[NH2+]CCC[N@H+](C)C(C)C)Cc1ccccc1 ZINC000638337415 384567646 /nfs/dbraw/zinc/56/76/46/384567646.db2.gz GJRPALAESXQFNK-KRWDZBQOSA-N 2 0 278.440 2.564 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000638381081 384608896 /nfs/dbraw/zinc/60/88/96/384608896.db2.gz GJGLKYLQAYEEPH-BJWYYQGGSA-N 2 0 288.435 2.763 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000638385717 384612075 /nfs/dbraw/zinc/61/20/75/384612075.db2.gz JFUYYTMVICHLCF-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)OC ZINC000638365484 384591206 /nfs/dbraw/zinc/59/12/06/384591206.db2.gz DUUSAZBOZUHZIU-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000638366251 384591623 /nfs/dbraw/zinc/59/16/23/384591623.db2.gz LZLDLQMSTTZNMM-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNCc2c(C)cccc2OC)C1 ZINC000638410093 384632089 /nfs/dbraw/zinc/63/20/89/384632089.db2.gz WCKMWGUPLCQUGQ-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000268823939 384668739 /nfs/dbraw/zinc/66/87/39/384668739.db2.gz SRBRZAPPIDGGHE-JKIFEVAISA-N 2 0 276.424 2.904 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000643503567 384673097 /nfs/dbraw/zinc/67/30/97/384673097.db2.gz BRVFVEIDDSGVAT-LYAPFXNSSA-N 2 0 273.424 2.967 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000643457095 384636919 /nfs/dbraw/zinc/63/69/19/384636919.db2.gz USTQJLBNSDGNHS-DLBZAZTESA-N 2 0 260.425 2.953 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCCc1ccc(C)cc1C ZINC000643457053 384636985 /nfs/dbraw/zinc/63/69/85/384636985.db2.gz KLJSYTMGSDZULF-KRWDZBQOSA-N 2 0 278.440 2.580 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)C1C[NH2+]C1 ZINC000643457502 384637562 /nfs/dbraw/zinc/63/75/62/384637562.db2.gz HHEFNLHGUCAFPR-JTQLQIEISA-N 2 0 277.799 2.561 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456627 384637848 /nfs/dbraw/zinc/63/78/48/384637848.db2.gz OAOXYDCZXWHYKR-STQMWFEESA-N 2 0 272.314 2.717 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000643458399 384639236 /nfs/dbraw/zinc/63/92/36/384639236.db2.gz VGPSJMFQMZQYHT-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000643458284 384640771 /nfs/dbraw/zinc/64/07/71/384640771.db2.gz FPEAZYXYCFXNOH-ZWKOTPCHSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460335 384641768 /nfs/dbraw/zinc/64/17/68/384641768.db2.gz RIMPXBYVDOGCQT-VKJFTORMSA-N 2 0 283.419 2.733 20 0 CFADRP Cc1csc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000643460716 384641881 /nfs/dbraw/zinc/64/18/81/384641881.db2.gz LOHQMBQHKACGMQ-NSHDSACASA-N 2 0 290.436 2.507 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638423073 384642158 /nfs/dbraw/zinc/64/21/58/384642158.db2.gz NNXIVDVSJWDWDB-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460278 384642436 /nfs/dbraw/zinc/64/24/36/384642436.db2.gz JIANIEXRGYQCQK-CHWSQXEVSA-N 2 0 284.407 2.698 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000643460240 384642901 /nfs/dbraw/zinc/64/29/01/384642901.db2.gz DKNMNEPOFQWDNB-CSMYWGQOSA-N 2 0 267.376 2.920 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460332 384643097 /nfs/dbraw/zinc/64/30/97/384643097.db2.gz RIMPXBYVDOGCQT-IIDMSEBBSA-N 2 0 283.419 2.733 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463627 384644297 /nfs/dbraw/zinc/64/42/97/384644297.db2.gz QSXYGRCVVFHXRG-UAGQMJEPSA-N 2 0 290.451 2.696 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000643466619 384647163 /nfs/dbraw/zinc/64/71/63/384647163.db2.gz IZQKDDNCHOHPPY-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469233 384649711 /nfs/dbraw/zinc/64/97/11/384649711.db2.gz BOUBYEAFZFNLAC-CABCVRRESA-N 2 0 299.422 2.990 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643475708 384654154 /nfs/dbraw/zinc/65/41/54/384654154.db2.gz BYZLYOIVAMQJGD-CKUJCDMFSA-N 2 0 268.445 2.972 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643477927 384654188 /nfs/dbraw/zinc/65/41/88/384654188.db2.gz BRBRZLKAUZPBMN-RKVPGOIHSA-N 2 0 272.436 2.769 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC(C[NH3+])CC1)CCO2 ZINC000643481744 384656427 /nfs/dbraw/zinc/65/64/27/384656427.db2.gz RQGFINLKXBWTPU-ZUEPYMLJSA-N 2 0 290.407 2.626 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000643480616 384657242 /nfs/dbraw/zinc/65/72/42/384657242.db2.gz HHZBWHONMAHHEC-CABZTGNLSA-N 2 0 270.323 2.505 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])CCO2 ZINC000643482403 384657384 /nfs/dbraw/zinc/65/73/84/384657384.db2.gz HOTRSBWNLIWFPT-SLEUVZQESA-N 2 0 278.396 2.624 20 0 CFADRP CC[C@@](C)(C[NH2+]Cc1ccccc1OCC[NH+](C)C)OC ZINC000638444969 384660450 /nfs/dbraw/zinc/66/04/50/384660450.db2.gz LEPHEBPWEINAHK-KRWDZBQOSA-N 2 0 294.439 2.532 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000643493843 384660664 /nfs/dbraw/zinc/66/06/64/384660664.db2.gz UWTOMCZCBRGBOF-YXJHDRRASA-N 2 0 290.451 2.981 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[C@H]([C@@H]3CCOC3)C1)CC[NH2+]2 ZINC000643548137 384727963 /nfs/dbraw/zinc/72/79/63/384727963.db2.gz MXPFIXKXQJDJIL-VVLHAWIVSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545757 384724956 /nfs/dbraw/zinc/72/49/56/384724956.db2.gz BQOKNVJYWWAAOT-KGLIPLIRSA-N 2 0 262.397 2.865 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)C12CCCC2 ZINC000643508277 384680371 /nfs/dbraw/zinc/68/03/71/384680371.db2.gz ANWBKSDEPGEDKT-CABCVRRESA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000643508284 384681282 /nfs/dbraw/zinc/68/12/82/384681282.db2.gz BBRPOWQSGJGQJW-AWEZNQCLSA-N 2 0 288.439 2.862 20 0 CFADRP CC1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC[NH2+]CC1 ZINC000643518138 384684971 /nfs/dbraw/zinc/68/49/71/384684971.db2.gz NZDDWDZTFKYFCP-OAHLLOKOSA-N 2 0 280.362 2.931 20 0 CFADRP C1CC2(C1)C[C@@H](N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC[NH2+]2 ZINC000643547788 384726503 /nfs/dbraw/zinc/72/65/03/384726503.db2.gz IXXXQVIBPHYMEP-NXOAAHMSSA-N 2 0 291.483 2.562 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522165 384688462 /nfs/dbraw/zinc/68/84/62/384688462.db2.gz JAMVRLCCBYLNKD-SWLSCSKDSA-N 2 0 260.381 2.501 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000643522379 384688767 /nfs/dbraw/zinc/68/87/67/384688767.db2.gz MHMNYGMWUMXSEL-WCQYABFASA-N 2 0 260.372 2.932 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643522352 384689701 /nfs/dbraw/zinc/68/97/01/384689701.db2.gz LYNGXSHUFYFVRD-XJKSGUPXSA-N 2 0 260.381 2.501 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000643523135 384690918 /nfs/dbraw/zinc/69/09/18/384690918.db2.gz YEKKWGWXYSEGQF-GDBMZVCRSA-N 2 0 298.434 2.880 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643524059 384691188 /nfs/dbraw/zinc/69/11/88/384691188.db2.gz DYBQLSYVOWFAAN-NWANDNLSSA-N 2 0 276.428 2.919 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000643523987 384691269 /nfs/dbraw/zinc/69/12/69/384691269.db2.gz UJQNUTVRLFQTBU-XQQFMLRXSA-N 2 0 252.427 2.929 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523292 384691322 /nfs/dbraw/zinc/69/13/22/384691322.db2.gz ZOBCYGZEJQYOSY-CJNGLKHVSA-N 2 0 274.408 2.804 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000643524099 384691485 /nfs/dbraw/zinc/69/14/85/384691485.db2.gz ISPMLQZLZUABCH-QLFBSQMISA-N 2 0 263.360 2.531 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCc2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC000643523968 384691611 /nfs/dbraw/zinc/69/16/11/384691611.db2.gz QSWPUEAJMLUKNA-ZWKOTPCHSA-N 2 0 279.387 2.524 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643523231 384692166 /nfs/dbraw/zinc/69/21/66/384692166.db2.gz YCDKXYQJVCJQRN-NEPJUHHUSA-N 2 0 279.453 2.815 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000643523138 384692293 /nfs/dbraw/zinc/69/22/93/384692293.db2.gz YEKKWGWXYSEGQF-ZBFHGGJFSA-N 2 0 298.434 2.880 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643524506 384693299 /nfs/dbraw/zinc/69/32/99/384693299.db2.gz SAOIKCQBIMBDHO-XOKHGSTOSA-N 2 0 258.409 2.522 20 0 CFADRP [NH3+]C[C@@H](N[C@H]1CCn2ccnc21)c1ccc2ccccc2c1 ZINC000643525144 384693402 /nfs/dbraw/zinc/69/34/02/384693402.db2.gz ZUYISAWQLGTVJG-DLBZAZTESA-N 2 0 292.386 2.771 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)CC[NH2+]2 ZINC000643547382 384726751 /nfs/dbraw/zinc/72/67/51/384726751.db2.gz DQNJZSNQGKXGIU-VQHPVUNQSA-N 2 0 292.467 2.846 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C[C@@H]1OC ZINC000643548936 384726838 /nfs/dbraw/zinc/72/68/38/384726838.db2.gz XSUQXVZBUGWYQJ-ZNMIVQPWSA-N 2 0 280.456 2.844 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000643548324 384726865 /nfs/dbraw/zinc/72/68/65/384726865.db2.gz NSWPMKMSDMXNTJ-RRFJBIMHSA-N 2 0 278.440 2.598 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000643526278 384695709 /nfs/dbraw/zinc/69/57/09/384695709.db2.gz XOKUEBSFWVQYGW-KBRIMQKVSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000643529652 384703657 /nfs/dbraw/zinc/70/36/57/384703657.db2.gz JODFJNDYRXHPBZ-JKOKRWQUSA-N 2 0 252.789 2.913 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533942 384705620 /nfs/dbraw/zinc/70/56/20/384705620.db2.gz IKYZPVFIYPQYLA-UKRRQHHQSA-N 2 0 274.433 2.955 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643534258 384705636 /nfs/dbraw/zinc/70/56/36/384705636.db2.gz PBPZZCOPLWYKIJ-ZYHUDNBSSA-N 2 0 265.426 2.553 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533856 384705726 /nfs/dbraw/zinc/70/57/26/384705726.db2.gz GDSOTIUETXDIFM-DLBZAZTESA-N 2 0 286.419 2.804 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533943 384705742 /nfs/dbraw/zinc/70/57/42/384705742.db2.gz IKYZPVFIYPQYLA-ZFWWWQNUSA-N 2 0 274.433 2.955 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533918 384706063 /nfs/dbraw/zinc/70/60/63/384706063.db2.gz HTWZCSCYGJCOBZ-CABCVRRESA-N 2 0 260.356 2.545 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)[C@H](C)C2 ZINC000643534728 384707144 /nfs/dbraw/zinc/70/71/44/384707144.db2.gz BAKKVKNDNZMXEO-XOKHGSTOSA-N 2 0 270.420 2.960 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000643534719 384707172 /nfs/dbraw/zinc/70/71/72/384707172.db2.gz AWCCZYMOUWGDOF-NHYWBVRUSA-N 2 0 278.371 2.627 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1nc2c(s1)CCCC2 ZINC000643534995 384707319 /nfs/dbraw/zinc/70/73/19/384707319.db2.gz HFNQCQROHXLACU-BXUZGUMPSA-N 2 0 291.464 2.815 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534809 384707819 /nfs/dbraw/zinc/70/78/19/384707819.db2.gz DDGJLSYKVYOTHP-QLFBSQMISA-N 2 0 280.456 2.702 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534587 384708001 /nfs/dbraw/zinc/70/80/01/384708001.db2.gz YGTIQALIRJRPCD-XJKSGUPXSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccnn1-c1ccccc1 ZINC000643535289 384709593 /nfs/dbraw/zinc/70/95/93/384709593.db2.gz ARNBKVATXYWTPV-YOEHRIQHSA-N 2 0 296.418 2.665 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C12CCCC2 ZINC000643549004 384727477 /nfs/dbraw/zinc/72/74/77/384727477.db2.gz YXVKIPVNORXNPU-BZUAXINKSA-N 2 0 292.467 2.989 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc21 ZINC000643536406 384711627 /nfs/dbraw/zinc/71/16/27/384711627.db2.gz QLCHADCNASISNP-WQVCFCJDSA-N 2 0 256.393 2.967 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643536276 384711734 /nfs/dbraw/zinc/71/17/34/384711734.db2.gz SIJGHSAVIQFITB-GJZGRUSLSA-N 2 0 277.387 2.650 20 0 CFADRP CC(C)CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536964 384712902 /nfs/dbraw/zinc/71/29/02/384712902.db2.gz ZLHMXGMPEUJIIC-GJZGRUSLSA-N 2 0 250.430 2.933 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536899 384714204 /nfs/dbraw/zinc/71/42/04/384714204.db2.gz YGJDCVOTEYGSBC-NWDGAFQWSA-N 2 0 296.336 2.823 20 0 CFADRP C1CC2(C1)C[C@H](N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC[NH2+]2 ZINC000643547789 384727787 /nfs/dbraw/zinc/72/77/87/384727787.db2.gz IXXXQVIBPHYMEP-TWMKSMIVSA-N 2 0 291.483 2.562 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643539269 384719259 /nfs/dbraw/zinc/71/92/59/384719259.db2.gz VDOAHYPDEQJCHJ-XPTSAGLGSA-N 2 0 254.324 2.669 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000643543791 384722470 /nfs/dbraw/zinc/72/24/70/384722470.db2.gz WDUXFAGTECRFOI-LRDDRELGSA-N 2 0 272.396 2.849 20 0 CFADRP CCOC1CC(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000638602774 384775619 /nfs/dbraw/zinc/77/56/19/384775619.db2.gz FLPNAXXSQNJITK-NRXISQOPSA-N 2 0 270.461 2.758 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](OC)C2CCCC2)CC1 ZINC000638562945 384742278 /nfs/dbraw/zinc/74/22/78/384742278.db2.gz GTOJLOOMUWKHRG-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H](Cc2ccccc2)OC)CC1 ZINC000638565151 384744170 /nfs/dbraw/zinc/74/41/70/384744170.db2.gz MJOQMCCAUSDISX-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000638565966 384745314 /nfs/dbraw/zinc/74/53/14/384745314.db2.gz WYFQGOUYSJZNIU-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000638566460 384745717 /nfs/dbraw/zinc/74/57/17/384745717.db2.gz JRONSIUQCRVVEI-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000638566131 384747061 /nfs/dbraw/zinc/74/70/61/384747061.db2.gz BFBDOOVMGJGMTE-HOTGVXAUSA-N 2 0 270.461 2.758 20 0 CFADRP COC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000279770249 384753287 /nfs/dbraw/zinc/75/32/87/384753287.db2.gz SINJSFSAXFGSAK-SWLSCSKDSA-N 2 0 284.831 2.957 20 0 CFADRP COc1cc2c(NC3CC[NH+](C)CC3)cc[nH+]c2cc1F ZINC000279942309 384822637 /nfs/dbraw/zinc/82/26/37/384822637.db2.gz AHAXZZWKJDBESQ-UHFFFAOYSA-N 2 0 289.354 2.889 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CC2CCSCC2)CC1 ZINC000638692566 384837906 /nfs/dbraw/zinc/83/79/06/384837906.db2.gz IVSJQNBFMCGHKW-UHFFFAOYSA-N 2 0 270.486 2.841 20 0 CFADRP COc1cccc(OC)c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000643886767 384782467 /nfs/dbraw/zinc/78/24/67/384782467.db2.gz QKYJBRGIRUGIAV-KGLIPLIRSA-N 2 0 292.423 2.618 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1noc3c1CCCC3)CC[NH2+]CC2 ZINC000643895278 384784938 /nfs/dbraw/zinc/78/49/38/384784938.db2.gz CSZQXUUHWTVVNU-ZDUSSCGKSA-N 2 0 289.423 2.517 20 0 CFADRP Cc1ccncc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269607159 384802332 /nfs/dbraw/zinc/80/23/32/384802332.db2.gz AGEOBVRYEWWQIH-QAPCUYQASA-N 2 0 285.435 2.839 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C1CC(n2cccn2)C1)C(C)C ZINC000638735929 384876200 /nfs/dbraw/zinc/87/62/00/384876200.db2.gz QFJOARZGRPVEAA-UHFFFAOYSA-N 2 0 278.444 2.685 20 0 CFADRP CC(C)[NH+](CCC[NH2+]CCC1CCOCC1)C(C)C ZINC000638734018 384877156 /nfs/dbraw/zinc/87/71/56/384877156.db2.gz JUCZCTNMIFCXSA-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[C@H](C[NH2+]CCC1CC[NH+](CC)CC1)OC ZINC000638693267 384839890 /nfs/dbraw/zinc/83/98/90/384839890.db2.gz QWIVIECXALOJHU-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@](C)(CC)OC)CC1 ZINC000638692834 384840335 /nfs/dbraw/zinc/84/03/35/384840335.db2.gz MUNBRXQNPOIDQX-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000638699970 384846528 /nfs/dbraw/zinc/84/65/28/384846528.db2.gz FCHSNXNWTQVCSO-UYTSQGDYSA-N 2 0 268.445 2.652 20 0 CFADRP CCOC1CC(C[NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000638776964 384911054 /nfs/dbraw/zinc/91/10/54/384911054.db2.gz ACGIDLDJDWMEFZ-UHFFFAOYSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)sn1 ZINC000638781037 384914036 /nfs/dbraw/zinc/91/40/36/384914036.db2.gz ZURBNWMRRCUHHC-UHFFFAOYSA-N 2 0 267.442 2.662 20 0 CFADRP CCCC[N@H+](CC)Cc1cccc(C[NH2+]C[C@@H](C)O)c1 ZINC000644586906 384947028 /nfs/dbraw/zinc/94/70/28/384947028.db2.gz OSNDFMMMCFPQPU-OAHLLOKOSA-N 2 0 278.440 2.779 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000638837604 384970330 /nfs/dbraw/zinc/97/03/30/384970330.db2.gz VJGOGYRRGBJTNS-UKRRQHHQSA-N 2 0 291.464 2.782 20 0 CFADRP c1cc(C[NH2+]CCC[C@H]2CCO2)cc(C[NH+]2CCCC2)c1 ZINC000638851173 384985226 /nfs/dbraw/zinc/98/52/26/384985226.db2.gz XVAWVGOLGYYQJI-SFHVURJKSA-N 2 0 288.435 2.941 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CC1(F)F ZINC000638851394 384986635 /nfs/dbraw/zinc/98/66/35/384986635.db2.gz JWYVZKZINKFMBS-RISCZKNCSA-N 2 0 268.351 2.882 20 0 CFADRP CC(C)(C)[C@@]1(C[NH2+]CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000638863131 384995881 /nfs/dbraw/zinc/99/58/81/384995881.db2.gz KJYGJYIPBWKJQE-GOSISDBHSA-N 2 0 290.451 2.507 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cnccc2C)[C@@H](C)C1 ZINC000289244921 197273353 /nfs/dbraw/zinc/27/33/53/197273353.db2.gz AYKGTUDMNCDVNC-FUHWJXTLSA-N 2 0 289.467 2.985 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000337489141 285148500 /nfs/dbraw/zinc/14/85/00/285148500.db2.gz VBADRMJAOWRMFZ-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CC[NH2+]CC1CCSCC1)[NH+]1CCCCC1 ZINC000639036621 385108697 /nfs/dbraw/zinc/10/86/97/385108697.db2.gz BMJNUZYMEBZSIX-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CS[C@H](C)C1)[NH+]1CCCCC1 ZINC000639038181 385110267 /nfs/dbraw/zinc/11/02/67/385110267.db2.gz QYMSPTOMWRRLDZ-BFHYXJOUSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C ZINC000639044981 385119712 /nfs/dbraw/zinc/11/97/12/385119712.db2.gz RYZGVZVUKGZAIB-FMKPAKJESA-N 2 0 282.472 2.636 20 0 CFADRP CCOC1CC(C[NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000639046698 385122029 /nfs/dbraw/zinc/12/20/29/385122029.db2.gz LNDHPNGVVNKNRR-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCC(N[C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000270504823 385126585 /nfs/dbraw/zinc/12/65/85/385126585.db2.gz OGWMLVRGFWNIOE-NSHDSACASA-N 2 0 267.804 2.870 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000270616719 385164744 /nfs/dbraw/zinc/16/47/44/385164744.db2.gz JEWJZGQNWHWHIQ-RYPNDVFKSA-N 2 0 296.480 2.878 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000639107602 385201175 /nfs/dbraw/zinc/20/11/75/385201175.db2.gz AAURZFLAXIPNJX-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000639108093 385202576 /nfs/dbraw/zinc/20/25/76/385202576.db2.gz HGVNBRJCHDJUEQ-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP C([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000639109086 385204458 /nfs/dbraw/zinc/20/44/58/385204458.db2.gz POHKYSGNLNGBCY-OAGGEKHMSA-N 2 0 262.441 2.887 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(O)CC1 ZINC000271031353 385310242 /nfs/dbraw/zinc/31/02/42/385310242.db2.gz ICEMHKAWNAHFAB-UHFFFAOYSA-N 2 0 290.451 2.601 20 0 CFADRP CN(CCC[NH+](C)C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639168399 385272144 /nfs/dbraw/zinc/27/21/44/385272144.db2.gz SMIYECMIINFYCY-UHFFFAOYSA-N 2 0 293.361 2.897 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000639170549 385275813 /nfs/dbraw/zinc/27/58/13/385275813.db2.gz UPWMYDKOFDXDBH-QZWWFDLISA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000639170547 385275842 /nfs/dbraw/zinc/27/58/42/385275842.db2.gz UPWMYDKOFDXDBH-QAETUUGQSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC(C)(C)C2CC2)CC1 ZINC000639210650 385334681 /nfs/dbraw/zinc/33/46/81/385334681.db2.gz MLPALVGLWUQKHR-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP OCCCN1CCC[C@H]1C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639217057 385342302 /nfs/dbraw/zinc/34/23/02/385342302.db2.gz DIQWDLWRYWMLPU-SFHVURJKSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1N(C)C ZINC000271202441 385375488 /nfs/dbraw/zinc/37/54/88/385375488.db2.gz BNVKWMMIGWIAJN-AWEZNQCLSA-N 2 0 263.429 2.745 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)C2=CCCC2)CC1 ZINC000639245214 385375931 /nfs/dbraw/zinc/37/59/31/385375931.db2.gz UCBVALHNWJCPQP-UHFFFAOYSA-N 2 0 294.483 2.948 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282751344 385382212 /nfs/dbraw/zinc/38/22/12/385382212.db2.gz ASWMPVYUSCUDRU-SZMVWBNQSA-N 2 0 290.451 2.737 20 0 CFADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1C[NH+](C)C ZINC000639258350 385388267 /nfs/dbraw/zinc/38/82/67/385388267.db2.gz GZBREJZGRZRBNR-RHSMWYFYSA-N 2 0 275.440 2.951 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4ncccc34)C2)C1 ZINC000639203963 385325152 /nfs/dbraw/zinc/32/51/52/385325152.db2.gz NSGNXMNUPBNDLT-GOSISDBHSA-N 2 0 281.403 2.762 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000271857092 385394939 /nfs/dbraw/zinc/39/49/39/385394939.db2.gz JMKQOPVGDBEPCC-INIZCTEOSA-N 2 0 272.392 2.752 20 0 CFADRP Cc1nc2ccccc2nc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000639277059 385406482 /nfs/dbraw/zinc/40/64/82/385406482.db2.gz RVMJYSOJJIZUJX-UHFFFAOYSA-N 2 0 298.434 2.901 20 0 CFADRP c1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000272016906 385426780 /nfs/dbraw/zinc/42/67/80/385426780.db2.gz RHBRLGWNOCMAGE-HOTGVXAUSA-N 2 0 256.393 2.892 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CCCN2CCCC[C@@H]12)OC ZINC000639302027 385428908 /nfs/dbraw/zinc/42/89/08/385428908.db2.gz JWZYTBKLTFSUES-VGWMRTNUSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@H](Nc2cncc3c2CCCC3)CC[N@@H+]1C ZINC000639303749 385431523 /nfs/dbraw/zinc/43/15/23/385431523.db2.gz SWDKDYSEOAQAKY-TZMCWYRMSA-N 2 0 259.397 2.855 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000272039806 385433469 /nfs/dbraw/zinc/43/34/69/385433469.db2.gz QCSCKDSOPGZWLK-ZBFHGGJFSA-N 2 0 275.440 2.951 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000639309784 385436055 /nfs/dbraw/zinc/43/60/55/385436055.db2.gz DZSRJZRQCAJLKM-RLFYNMQTSA-N 2 0 272.436 2.721 20 0 CFADRP COC1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000639360010 385481581 /nfs/dbraw/zinc/48/15/81/385481581.db2.gz SCEGDKITIVRRPH-SEEUUAMPSA-N 2 0 288.435 2.522 20 0 CFADRP C([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639335554 385461283 /nfs/dbraw/zinc/46/12/83/385461283.db2.gz UCICULZWMJZIDC-BJWYYQGGSA-N 2 0 262.441 2.744 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000288901412 197189067 /nfs/dbraw/zinc/18/90/67/197189067.db2.gz SOWZENKLNOZFAB-HNNXBMFYSA-N 2 0 284.831 2.959 20 0 CFADRP CN(Cc1cc2ccccc2[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395819 385513367 /nfs/dbraw/zinc/51/33/67/385513367.db2.gz FMZBFROESBWSLQ-QGZVFWFLSA-N 2 0 269.392 2.694 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284013031 385525269 /nfs/dbraw/zinc/52/52/69/385525269.db2.gz NBWCCMXRVLQCSH-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639510998 385566041 /nfs/dbraw/zinc/56/60/41/385566041.db2.gz LCYYOSYHNPQJLW-HNNXBMFYSA-N 2 0 288.435 2.533 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286347547 385595302 /nfs/dbraw/zinc/59/53/02/385595302.db2.gz ZCUHAABWCNHRMY-MRXNPFEDSA-N 2 0 288.439 2.883 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@@H]1[NH3+] ZINC000122362745 413004321 /nfs/dbraw/zinc/00/43/21/413004321.db2.gz CKKVFMNFHQNRHN-HIFRSBDPSA-N 2 0 264.438 2.968 20 0 CFADRP CC[NH+]1CCC(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274413061 285191177 /nfs/dbraw/zinc/19/11/77/285191177.db2.gz FBOJBLLWTJXFFY-YJBOKZPZSA-N 2 0 289.467 2.752 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682891 385659467 /nfs/dbraw/zinc/65/94/67/385659467.db2.gz COQBXLRURVWDTO-QGZVFWFLSA-N 2 0 291.439 2.655 20 0 CFADRP CC(C)=CCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685912 385660747 /nfs/dbraw/zinc/66/07/47/385660747.db2.gz YMZYHTQSPDXXER-UHFFFAOYSA-N 2 0 259.397 2.950 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000639745321 385690550 /nfs/dbraw/zinc/69/05/50/385690550.db2.gz FLESFUBTBJLWNO-ZACQAIPSSA-N 2 0 295.515 2.626 20 0 CFADRP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1C(C)(C)C ZINC000639750926 385696292 /nfs/dbraw/zinc/69/62/92/385696292.db2.gz QANCCPQWNVFRHE-HOTGVXAUSA-N 2 0 281.488 2.523 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCC1 ZINC000639756488 385697231 /nfs/dbraw/zinc/69/72/31/385697231.db2.gz VXKZKXSFLGHLSW-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756956 385697364 /nfs/dbraw/zinc/69/73/64/385697364.db2.gz AUHOODGTEQSACZ-CQSZACIVSA-N 2 0 259.397 2.560 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1 ZINC000639757587 385697440 /nfs/dbraw/zinc/69/74/40/385697440.db2.gz IRBRTXYLOBAQIX-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756953 385697482 /nfs/dbraw/zinc/69/74/82/385697482.db2.gz AUHOODGTEQSACZ-AWEZNQCLSA-N 2 0 259.397 2.560 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)CC1 ZINC000272956497 385666925 /nfs/dbraw/zinc/66/69/25/385666925.db2.gz PCHBLVLESRSIQW-CXAGYDPISA-N 2 0 294.414 2.710 20 0 CFADRP CC[N@H+](CCc1cnccn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000639894765 385757973 /nfs/dbraw/zinc/75/79/73/385757973.db2.gz HEYZGKQFDBIUSU-UHFFFAOYSA-N 2 0 298.434 2.603 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000414700771 533144635 /nfs/dbraw/zinc/14/46/35/533144635.db2.gz VMGMDSOSJIGAKK-YQQAZPJKSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)Cc1ccccc1 ZINC000274855908 385885445 /nfs/dbraw/zinc/88/54/45/385885445.db2.gz QNHWXBSYJGEKKX-HNNXBMFYSA-N 2 0 258.409 2.717 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122874931 413009955 /nfs/dbraw/zinc/00/99/55/413009955.db2.gz JUCWEUOYLZEQFJ-DOMZBBRYSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)O ZINC000274789949 385870985 /nfs/dbraw/zinc/87/09/85/385870985.db2.gz NLQXJHGASPQDCZ-DOTOQJQBSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H](CF)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000288515023 197100797 /nfs/dbraw/zinc/10/07/97/197100797.db2.gz UCDWTSBSGKMJHB-AWEZNQCLSA-N 2 0 293.430 2.665 20 0 CFADRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccsc1 ZINC000276917638 386080391 /nfs/dbraw/zinc/08/03/91/386080391.db2.gz LTWYAPROEOBTHA-CQSZACIVSA-N 2 0 282.453 2.636 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccs1)C1CC1 ZINC000422799056 285219898 /nfs/dbraw/zinc/21/98/98/285219898.db2.gz UVYKHVCNIGTMHO-TZMCWYRMSA-N 2 0 268.426 2.543 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422781257 533166183 /nfs/dbraw/zinc/16/61/83/533166183.db2.gz LGHRRKYSHNJVTF-OPFPJEHXSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422808096 533176961 /nfs/dbraw/zinc/17/69/61/533176961.db2.gz AFKLDDUYEDYOFI-MCIONIFRSA-N 2 0 264.413 2.904 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCc2ccccc2F)CC[N@@H+]1C ZINC000281253313 195169383 /nfs/dbraw/zinc/16/93/83/195169383.db2.gz WCELEXIARQEKND-DZGCQCFKSA-N 2 0 264.388 2.831 20 0 CFADRP C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682156895 542528430 /nfs/dbraw/zinc/52/84/30/542528430.db2.gz QYRQXIBZLVUSBV-CJNGLKHVSA-N 2 0 294.464 2.611 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O)cc2)C[C@@H]1C ZINC000682404368 542547991 /nfs/dbraw/zinc/54/79/91/542547991.db2.gz DAOYSTFXBNRCJE-ZFWWWQNUSA-N 2 0 262.397 2.697 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000391082524 262380654 /nfs/dbraw/zinc/38/06/54/262380654.db2.gz LBUYPVYJTULSMN-BFHYXJOUSA-N 2 0 279.453 2.504 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422816860 285373282 /nfs/dbraw/zinc/37/32/82/285373282.db2.gz GENCEBXPSOLGJN-RWMBFGLXSA-N 2 0 296.377 2.699 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000163289148 285382211 /nfs/dbraw/zinc/38/22/11/285382211.db2.gz BLEGJRGXDLMVFL-UONOGXRCSA-N 2 0 293.430 2.884 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423267791 285392749 /nfs/dbraw/zinc/39/27/49/285392749.db2.gz FGHNQRZVFPYJFI-CJNGLKHVSA-N 2 0 274.408 2.749 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423267792 285393996 /nfs/dbraw/zinc/39/39/96/285393996.db2.gz FGHNQRZVFPYJFI-CZUORRHYSA-N 2 0 274.408 2.749 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000126417169 285396992 /nfs/dbraw/zinc/39/69/92/285396992.db2.gz NRKJLKIHBOAVRV-AWEZNQCLSA-N 2 0 256.434 2.510 20 0 CFADRP COC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000125991581 285399178 /nfs/dbraw/zinc/39/91/78/285399178.db2.gz QHUVPPVPYSXGIY-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCS2 ZINC000423243013 533289063 /nfs/dbraw/zinc/28/90/63/533289063.db2.gz GAXCRMBKJCPODZ-WFASDCNBSA-N 2 0 292.448 2.821 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1-n1cccn1 ZINC000422883880 533338255 /nfs/dbraw/zinc/33/82/55/533338255.db2.gz DCAHYVUWAHUKBF-WLYUNCDWSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422750281 533351682 /nfs/dbraw/zinc/35/16/82/533351682.db2.gz AKHUZKIQMFCGJM-ZIAGYGMSSA-N 2 0 290.455 2.655 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000423335878 533354638 /nfs/dbraw/zinc/35/46/38/533354638.db2.gz SHORDBJHENYRAH-CYBMUJFWSA-N 2 0 274.408 2.757 20 0 CFADRP C[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]1 ZINC000423110707 533389131 /nfs/dbraw/zinc/38/91/31/533389131.db2.gz IJHRPEWHQHLTLD-WBMJQRKESA-N 2 0 289.398 2.970 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422865604 533365896 /nfs/dbraw/zinc/36/58/96/533365896.db2.gz YTJNFZJCGJKTDG-CHWSQXEVSA-N 2 0 294.439 2.697 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])[C@@H](C)c1nc2ccccc2s1 ZINC000423193430 533379127 /nfs/dbraw/zinc/37/91/27/533379127.db2.gz QRXOZIKPEFSMDJ-GHMZBOCLSA-N 2 0 263.410 2.727 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771612 533386416 /nfs/dbraw/zinc/38/64/16/533386416.db2.gz AAXWEFOQDWRVJW-HZPDHXFCSA-N 2 0 288.435 2.825 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422765265 533443448 /nfs/dbraw/zinc/44/34/48/533443448.db2.gz KSTUMIWMNZQJRB-RDTXWAMCSA-N 2 0 281.403 2.836 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000414857849 533443702 /nfs/dbraw/zinc/44/37/02/533443702.db2.gz QHXUVSBUKVWSPE-YPMHNXCESA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CCCOC1 ZINC000423288962 533449197 /nfs/dbraw/zinc/44/91/97/533449197.db2.gz ADNNWVKTMBRBDT-WOSRLPQWSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423262724 533403230 /nfs/dbraw/zinc/40/32/30/533403230.db2.gz VWWISZUFYLUFFL-CHWSQXEVSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)c(F)c1 ZINC000423302882 533408023 /nfs/dbraw/zinc/40/80/23/533408023.db2.gz WEMJFMHVVHHSMX-DTWKUNHWSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414864523 533408550 /nfs/dbraw/zinc/40/85/50/533408550.db2.gz YSHCLJORZWTTQQ-UXLLHSPISA-N 2 0 260.425 2.843 20 0 CFADRP COc1c(C)cnc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414718127 533410160 /nfs/dbraw/zinc/41/01/60/533410160.db2.gz VKALWPXBVAZYMS-ZFWWWQNUSA-N 2 0 291.439 2.527 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423132154 533415288 /nfs/dbraw/zinc/41/52/88/533415288.db2.gz OSCAXARMMBNXTN-XOKHGSTOSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423345324 533424314 /nfs/dbraw/zinc/42/43/14/533424314.db2.gz YSVSGSHXIUVZSB-DYVFJYSZSA-N 2 0 274.408 2.757 20 0 CFADRP C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1c[nH+]ccc1N ZINC000422896678 533429903 /nfs/dbraw/zinc/42/99/03/533429903.db2.gz YQHMPUKOKMYDOQ-CXAGYDPISA-N 2 0 290.455 2.655 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)C1C[NH2+]C1 ZINC000422895636 533457819 /nfs/dbraw/zinc/45/78/19/533457819.db2.gz WLAFLBMQXWAMSY-OAHLLOKOSA-N 2 0 296.414 2.963 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000414849003 533458256 /nfs/dbraw/zinc/45/82/56/533458256.db2.gz HAHVQMBLRNCXKT-HIFRSBDPSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000414825053 533439831 /nfs/dbraw/zinc/43/98/31/533439831.db2.gz RWEIHEVDHSAJGF-PWSUYJOCSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000422925653 533495367 /nfs/dbraw/zinc/49/53/67/533495367.db2.gz BXINICMZQJUKPN-ZJUUUORDSA-N 2 0 288.313 2.844 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1-n1cccn1 ZINC000422886687 533497918 /nfs/dbraw/zinc/49/79/18/533497918.db2.gz JOYDKXKKUIEGDP-MELADBBJSA-N 2 0 272.396 2.649 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000422890810 533499407 /nfs/dbraw/zinc/49/94/07/533499407.db2.gz SZDQILORWQVEPK-IUODEOHRSA-N 2 0 282.815 2.608 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)C1C[NH2+]C1 ZINC000422754812 533499449 /nfs/dbraw/zinc/49/94/49/533499449.db2.gz GEVSECWSDBVNCV-WDEREUQCSA-N 2 0 297.240 2.578 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331767 533506416 /nfs/dbraw/zinc/50/64/16/533506416.db2.gz CWDRDGSVCXLXAU-CQSZACIVSA-N 2 0 274.408 2.526 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414880924 533579134 /nfs/dbraw/zinc/57/91/34/533579134.db2.gz KMCNKJHHNIFIJR-MNOVXSKESA-N 2 0 285.229 2.880 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000422885310 533533051 /nfs/dbraw/zinc/53/30/51/533533051.db2.gz UDXPLVSYKHSHDS-NXEZZACHSA-N 2 0 270.323 2.547 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423136744 533537785 /nfs/dbraw/zinc/53/77/85/533537785.db2.gz HLCUFZUYPMXJLK-GJZGRUSLSA-N 2 0 293.430 2.759 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000422709904 533538518 /nfs/dbraw/zinc/53/85/18/533538518.db2.gz LEPPMUZAAXHBEC-BBRMVZONSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)COc1cccc(F)c1 ZINC000422738817 533538930 /nfs/dbraw/zinc/53/89/30/533538930.db2.gz JZUJRHFPTULLDL-STQMWFEESA-N 2 0 268.376 2.700 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422732077 533553499 /nfs/dbraw/zinc/55/34/99/533553499.db2.gz NHGBPLZNEHUZAH-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422896672 533554407 /nfs/dbraw/zinc/55/44/07/533554407.db2.gz YOKNJZMBFHIOQE-HNNXBMFYSA-N 2 0 290.455 2.535 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423128142 533554761 /nfs/dbraw/zinc/55/47/61/533554761.db2.gz KHBLZTNULDVQBG-NSHDSACASA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OC(F)(F)F ZINC000415022907 533555085 /nfs/dbraw/zinc/55/50/85/533555085.db2.gz MAFHDZXGRYGBBR-JTQLQIEISA-N 2 0 276.302 2.802 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000423246847 533612419 /nfs/dbraw/zinc/61/24/19/533612419.db2.gz KJLMHZSRYOIRTR-KBPBESRZSA-N 2 0 292.423 2.662 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422866129 533613274 /nfs/dbraw/zinc/61/32/74/533613274.db2.gz PWAJTFCWVHMJMS-UPJWGTAASA-N 2 0 280.412 2.789 20 0 CFADRP Fc1cc(C2=CC[NH2+]C2)ccc1C[NH+]1CCCCC1 ZINC001243114319 781994960 /nfs/dbraw/zinc/99/49/60/781994960.db2.gz AKHOQSONTWLVST-UHFFFAOYSA-N 2 0 260.356 2.798 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000423298735 533645192 /nfs/dbraw/zinc/64/51/92/533645192.db2.gz ADTKHIIQMHPTQR-RRQGHBQHSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1C[C@@H](NCC2([NH3+])CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000414882769 533645208 /nfs/dbraw/zinc/64/52/08/533645208.db2.gz UHUIETOGEGMOLG-WBVHZDCISA-N 2 0 287.451 2.511 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423248278 533655737 /nfs/dbraw/zinc/65/57/37/533655737.db2.gz MUUZCUSTXQZKMB-STQMWFEESA-N 2 0 282.378 2.875 20 0 CFADRP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000414905205 533667892 /nfs/dbraw/zinc/66/78/92/533667892.db2.gz ODMVKSBLABCXQZ-HNNXBMFYSA-N 2 0 282.815 2.828 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191648881 130269488 /nfs/dbraw/zinc/26/94/88/130269488.db2.gz ICWACEDHBRUETQ-KRWDZBQOSA-N 2 0 273.424 2.745 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366764203 130354704 /nfs/dbraw/zinc/35/47/04/130354704.db2.gz UYUMIKFYIBZWRR-HOTGVXAUSA-N 2 0 292.471 2.768 20 0 CFADRP C[NH2+]CCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237246589 131018039 /nfs/dbraw/zinc/01/80/39/131018039.db2.gz GKWBECOKPYVKPH-UHFFFAOYSA-N 2 0 289.423 2.611 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000237669222 131051375 /nfs/dbraw/zinc/05/13/75/131051375.db2.gz JGJGGWLWYVKRFA-KBPBESRZSA-N 2 0 282.453 2.727 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC2C[NH2+]C2)C2CCCCC2)cc1 ZINC000423309364 285479786 /nfs/dbraw/zinc/47/97/86/285479786.db2.gz ZGSDJDOXAVSCDG-SFHVURJKSA-N 2 0 272.436 2.987 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H](C)C1 ZINC000246868161 131098070 /nfs/dbraw/zinc/09/80/70/131098070.db2.gz CTVDWWMUGZVSQR-JSGCOSHPSA-N 2 0 281.831 2.597 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCO3)C1 ZINC000249383560 131121513 /nfs/dbraw/zinc/12/15/13/131121513.db2.gz VYIORWXQRWPHKA-ZIAGYGMSSA-N 2 0 274.408 2.614 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000249380297 131121563 /nfs/dbraw/zinc/12/15/63/131121563.db2.gz QBOHTSDUIGYWHY-CVEARBPZSA-N 2 0 298.434 2.865 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250357124 131124535 /nfs/dbraw/zinc/12/45/35/131124535.db2.gz PMKQVAFSZKRYJS-QLFBSQMISA-N 2 0 293.480 2.567 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251072108 131128751 /nfs/dbraw/zinc/12/87/51/131128751.db2.gz FPSJUEJBGDHCRC-ILXRZTDVSA-N 2 0 262.397 2.817 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccco2)C1 ZINC000252440245 131134344 /nfs/dbraw/zinc/13/43/44/131134344.db2.gz YXMXCZVFFNLNKH-KGLIPLIRSA-N 2 0 250.386 2.532 20 0 CFADRP c1cc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cs1 ZINC000261819206 131171429 /nfs/dbraw/zinc/17/14/29/131171429.db2.gz IFIIYNKCPDGCCE-UHFFFAOYSA-N 2 0 264.438 2.927 20 0 CFADRP Fc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262307163 131209657 /nfs/dbraw/zinc/20/96/57/131209657.db2.gz YITVXOGXRMDCKM-MRXNPFEDSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262396016 131217738 /nfs/dbraw/zinc/21/77/38/131217738.db2.gz OWISVFQKUSUXRT-CQSZACIVSA-N 2 0 289.423 2.596 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000683693865 542711301 /nfs/dbraw/zinc/71/13/01/542711301.db2.gz MPZRBUPKKGSEST-NSHDSACASA-N 2 0 279.453 2.977 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000268734840 132058032 /nfs/dbraw/zinc/05/80/32/132058032.db2.gz NQCDAIIWDQGHJA-LSDHHAIUSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc2c(c1)COC2 ZINC000268742864 132059496 /nfs/dbraw/zinc/05/94/96/132059496.db2.gz QSYBGMWRMNCKNB-CYBMUJFWSA-N 2 0 276.424 2.955 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000268746838 132060298 /nfs/dbraw/zinc/06/02/98/132060298.db2.gz AWGDHJQSHYMDQU-OAHLLOKOSA-N 2 0 294.439 2.532 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)COC1 ZINC000268885987 132083155 /nfs/dbraw/zinc/08/31/55/132083155.db2.gz MUNJRFNYXZXGKV-RDJZCZTQSA-N 2 0 288.435 2.523 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000683889112 542737966 /nfs/dbraw/zinc/73/79/66/542737966.db2.gz MACRLGBRMIAXNA-JXQTWKCFSA-N 2 0 256.459 2.735 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(C(F)F)CC2)cc1 ZINC000683926984 542745364 /nfs/dbraw/zinc/74/53/64/542745364.db2.gz FEKZBMRCACEDSU-UHFFFAOYSA-N 2 0 298.377 2.762 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683927479 542745691 /nfs/dbraw/zinc/74/56/91/542745691.db2.gz WSNNMPKLWGXRQF-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683927846 542745973 /nfs/dbraw/zinc/74/59/73/542745973.db2.gz OIUWPPUSKPKSAS-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC2)CC1 ZINC000264913288 285526243 /nfs/dbraw/zinc/52/62/43/285526243.db2.gz FZTVUTCJHRDJLG-UHFFFAOYSA-N 2 0 267.376 2.909 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)C[C@@H]21 ZINC000299972397 393465042 /nfs/dbraw/zinc/46/50/42/393465042.db2.gz ARGWTMXPGDEPBR-LVQVYYBASA-N 2 0 278.440 2.537 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300710147 393468497 /nfs/dbraw/zinc/46/84/97/393468497.db2.gz YNXKZHKAHMBMQG-HRCADAONSA-N 2 0 262.397 2.518 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000302441142 393491738 /nfs/dbraw/zinc/49/17/38/393491738.db2.gz NMLNPVPQYBKWPX-UPJWGTAASA-N 2 0 260.372 2.742 20 0 CFADRP Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000302335440 393492046 /nfs/dbraw/zinc/49/20/46/393492046.db2.gz VFWGVSHNMRDUIU-QGZVFWFLSA-N 2 0 269.392 2.975 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000305899450 393503985 /nfs/dbraw/zinc/50/39/85/393503985.db2.gz SKYJBRBDUAWFRM-XQQFMLRXSA-N 2 0 258.356 2.638 20 0 CFADRP CCCCCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378298318 393544807 /nfs/dbraw/zinc/54/48/07/393544807.db2.gz YGTBKUJMFYWJSS-KRWDZBQOSA-N 2 0 281.488 2.667 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313713231 393523161 /nfs/dbraw/zinc/52/31/61/393523161.db2.gz JLUQVOZIMPDAFD-JSGCOSHPSA-N 2 0 297.240 2.709 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000184004509 393523951 /nfs/dbraw/zinc/52/39/51/393523951.db2.gz HLBOOCYNTQQYCF-UGUYLWEFSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)C(C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000314004303 393525343 /nfs/dbraw/zinc/52/53/43/393525343.db2.gz UCVGFVAQXICLNS-SFHVURJKSA-N 2 0 297.531 2.776 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCC2 ZINC000378452152 393545875 /nfs/dbraw/zinc/54/58/75/393545875.db2.gz GFEGUJYTWZJRJT-HOTGVXAUSA-N 2 0 278.440 2.576 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000331419507 393556934 /nfs/dbraw/zinc/55/69/34/393556934.db2.gz WSBTWKHWNUCFAN-QJPTWQEYSA-N 2 0 279.453 2.800 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000684380752 542796667 /nfs/dbraw/zinc/79/66/67/542796667.db2.gz YZWMMCXXWOLNTR-CVEARBPZSA-N 2 0 294.414 2.935 20 0 CFADRP FC(F)C1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000684425355 542806833 /nfs/dbraw/zinc/80/68/33/542806833.db2.gz KUSLOEBTXCPWIE-UHFFFAOYSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCS[C@H]1C ZINC000383812326 393575642 /nfs/dbraw/zinc/57/56/42/393575642.db2.gz GGGJCQBONMKGOX-RFGFWPKPSA-N 2 0 256.459 2.781 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CCOCc1ccccc1 ZINC000384114334 393576948 /nfs/dbraw/zinc/57/69/48/393576948.db2.gz QLKRUHLSJBSWLB-UHFFFAOYSA-N 2 0 290.451 2.915 20 0 CFADRP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCC[NH2+]CC2)C1)C(N)=O ZINC000333858337 393571926 /nfs/dbraw/zinc/57/19/26/393571926.db2.gz RMCHDHGVFAXMDY-KBPBESRZSA-N 2 0 281.444 2.792 20 0 CFADRP CCC[C@H](C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)OC ZINC000386428085 393586967 /nfs/dbraw/zinc/58/69/67/393586967.db2.gz LBVKFRLIYKUYIB-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3cccc(F)c3C2)CC[NH2+]1 ZINC000334857832 393625898 /nfs/dbraw/zinc/62/58/98/393625898.db2.gz OWUSXWQGEKOOJY-CHWSQXEVSA-N 2 0 262.372 2.572 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197653 393630234 /nfs/dbraw/zinc/63/02/34/393630234.db2.gz MJOKLINYANQSQD-MRXNPFEDSA-N 2 0 262.372 2.790 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923651 393637446 /nfs/dbraw/zinc/63/74/46/393637446.db2.gz LZDAZWINZIDHLU-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000071297791 393639449 /nfs/dbraw/zinc/63/94/49/393639449.db2.gz OAOPNRVXWGUPKD-INIZCTEOSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1Cl ZINC000335174515 393650205 /nfs/dbraw/zinc/65/02/05/393650205.db2.gz VBVRAXOWHQDNHE-UHFFFAOYSA-N 2 0 252.789 2.880 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC(C)(C)C)C[C@@H]1C ZINC000336704004 393746777 /nfs/dbraw/zinc/74/67/77/393746777.db2.gz HFPXPGJCFSKQHN-KBPBESRZSA-N 2 0 256.434 2.606 20 0 CFADRP Oc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000684568031 542827869 /nfs/dbraw/zinc/82/78/69/542827869.db2.gz KDHWZXYJSKETNY-CHWSQXEVSA-N 2 0 283.375 2.979 20 0 CFADRP C[C@@H](O)CC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411315243 393698572 /nfs/dbraw/zinc/69/85/72/393698572.db2.gz SXXKNCBXFLDHGD-MRXNPFEDSA-N 2 0 290.451 2.875 20 0 CFADRP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1Cl ZINC000194542994 393704339 /nfs/dbraw/zinc/70/43/39/393704339.db2.gz QJTHJEAUBMCRQT-OKILXGFUSA-N 2 0 264.800 2.642 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000335906293 393706842 /nfs/dbraw/zinc/70/68/42/393706842.db2.gz NXKKSMZUHVIHQI-OAHLLOKOSA-N 2 0 272.436 2.818 20 0 CFADRP c1nc(C2CCC2)sc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335967719 393711596 /nfs/dbraw/zinc/71/15/96/393711596.db2.gz QOEVLAARSZDBEH-INIZCTEOSA-N 2 0 291.464 2.986 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cccn2C)CC1 ZINC000080374436 393726346 /nfs/dbraw/zinc/72/63/46/393726346.db2.gz XUGOTAKWEOMUIK-UHFFFAOYSA-N 2 0 277.456 2.873 20 0 CFADRP Cc1cc(C)c([C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000088244148 393760948 /nfs/dbraw/zinc/76/09/48/393760948.db2.gz NYJAHOBGKZWWAP-OAGGEKHMSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000223005047 393764914 /nfs/dbraw/zinc/76/49/14/393764914.db2.gz LMLKWTOTPJJLLX-NQBHXWOUSA-N 2 0 250.411 2.985 20 0 CFADRP c1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000236743795 393787161 /nfs/dbraw/zinc/78/71/61/393787161.db2.gz LSNRIEDEGRWZNF-UHFFFAOYSA-N 2 0 258.409 2.693 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[C@@H]1C ZINC000414071004 393794632 /nfs/dbraw/zinc/79/46/32/393794632.db2.gz CQMDMXDWNUGFQU-KSWRQPAISA-N 2 0 282.472 2.900 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000424232716 393801318 /nfs/dbraw/zinc/80/13/18/393801318.db2.gz DVTHJGVGDFHJGV-SUMWQHHRSA-N 2 0 297.402 2.728 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414758188 393804080 /nfs/dbraw/zinc/80/40/80/393804080.db2.gz MHCBHSSLNQNVPA-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414784167 393805434 /nfs/dbraw/zinc/80/54/34/393805434.db2.gz QVZVUVMUEFYMDC-BZUAXINKSA-N 2 0 280.456 2.500 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000414794236 393805493 /nfs/dbraw/zinc/80/54/93/393805493.db2.gz FMPAFEUPPSRJOO-BGTYHANMSA-N 2 0 287.451 2.539 20 0 CFADRP Fc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786097 393805640 /nfs/dbraw/zinc/80/56/40/393805640.db2.gz UBVKNIYZTSOOKX-QWHCGFSZSA-N 2 0 280.362 2.786 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)cc1)CC1CC[NH2+]CC1 ZINC000094011931 393806575 /nfs/dbraw/zinc/80/65/75/393806575.db2.gz DXYPTJLIQJCNEF-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414841332 393806918 /nfs/dbraw/zinc/80/69/18/393806918.db2.gz HVSOHNRGUZSPMB-IKGGRYGDSA-N 2 0 258.409 2.973 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000095967803 393814686 /nfs/dbraw/zinc/81/46/86/393814686.db2.gz XKQGSOSPYOBVMU-IRXDYDNUSA-N 2 0 289.467 2.590 20 0 CFADRP c1cn(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000339072181 393815616 /nfs/dbraw/zinc/81/56/16/393815616.db2.gz TYUNQDNPGLVCFK-SJLPKXTDSA-N 2 0 296.418 2.589 20 0 CFADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340224406 393838553 /nfs/dbraw/zinc/83/85/53/393838553.db2.gz WYVJBRZZXUBVAA-MSOLQXFVSA-N 2 0 289.467 2.752 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)C[C@H]2C1 ZINC000424308889 393821848 /nfs/dbraw/zinc/82/18/48/393821848.db2.gz HKCJOSNZRWPBDJ-ZBRFXRBCSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000339410384 393824123 /nfs/dbraw/zinc/82/41/23/393824123.db2.gz RNNZITJBQDZDQJ-NVXWUHKLSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000424334185 393833440 /nfs/dbraw/zinc/83/34/40/393833440.db2.gz YSQYVIYVDDSPLH-CZUORRHYSA-N 2 0 274.408 2.830 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1(C)C ZINC000344028511 393894194 /nfs/dbraw/zinc/89/41/94/393894194.db2.gz WCEZNPHJMZLPFT-HOTGVXAUSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424369123 393840375 /nfs/dbraw/zinc/84/03/75/393840375.db2.gz QRLWSEKWDFSWMX-VDHUWJSZSA-N 2 0 287.451 2.681 20 0 CFADRP C[N@@H+]1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1c1ccccc1 ZINC000424369712 393841425 /nfs/dbraw/zinc/84/14/25/393841425.db2.gz CENHMOVUTIJXFE-BRSBDYLESA-N 2 0 287.451 2.681 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424381164 393841473 /nfs/dbraw/zinc/84/14/73/393841473.db2.gz YIGMWMPCUHNSGJ-SNPRPXQTSA-N 2 0 250.361 2.731 20 0 CFADRP Cc1ccc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)ccc2n1 ZINC000097861572 393842013 /nfs/dbraw/zinc/84/20/13/393842013.db2.gz UJJHZNDDBMBFQC-INIZCTEOSA-N 2 0 283.419 2.975 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000341310470 393852876 /nfs/dbraw/zinc/85/28/76/393852876.db2.gz NEKUAILWWMHXDQ-JYJNAYRXSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000684613699 542837087 /nfs/dbraw/zinc/83/70/87/542837087.db2.gz YEXDRKJWEDMQFZ-HRCADAONSA-N 2 0 250.430 2.910 20 0 CFADRP CCC[N@H+](C[C@H]1CCO[C@@H](CC)C1)C1CC[NH2+]CC1 ZINC000346993816 393935734 /nfs/dbraw/zinc/93/57/34/393935734.db2.gz AVIHCMJVZWWYID-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474462911 393943837 /nfs/dbraw/zinc/94/38/37/393943837.db2.gz WMDLHZAJXFWEER-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000474867921 393946666 /nfs/dbraw/zinc/94/66/66/393946666.db2.gz JWFTXZUAGMXEHO-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000348143914 393947769 /nfs/dbraw/zinc/94/77/69/393947769.db2.gz ARTVPQUEWALSMN-SJORKVTESA-N 2 0 281.488 2.571 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000271702773 394022400 /nfs/dbraw/zinc/02/24/00/394022400.db2.gz SVNTVDAUEZDARC-ZFWWWQNUSA-N 2 0 262.397 2.830 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000352967019 394022756 /nfs/dbraw/zinc/02/27/56/394022756.db2.gz KOKSVHSUMNHOCV-UGFHNGPFSA-N 2 0 278.371 2.579 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3coc4ccccc34)C2)C1 ZINC000430135262 393960909 /nfs/dbraw/zinc/96/09/09/393960909.db2.gz QIMRKTYMNBJBNF-QGZVFWFLSA-N 2 0 270.376 2.960 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000477944967 393965574 /nfs/dbraw/zinc/96/55/74/393965574.db2.gz XHYJOHWVNWTNOY-XOYOTBSWSA-N 2 0 288.435 2.837 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C[C@@H]2C)CCO1 ZINC000352967602 394023339 /nfs/dbraw/zinc/02/33/39/394023339.db2.gz MXHRHDVMJDEVMB-SVGFKBNWSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264423596 393968405 /nfs/dbraw/zinc/96/84/05/393968405.db2.gz JCVABEMDSMUCRD-SFHVURJKSA-N 2 0 290.451 2.601 20 0 CFADRP CC1(C)CC([NH2+]C/C=C/c2ccncc2)CC(C)(C)[NH2+]1 ZINC000486957459 393974953 /nfs/dbraw/zinc/97/49/53/393974953.db2.gz PZUZYTHYCLRQDM-AATRIKPKSA-N 2 0 273.424 2.994 20 0 CFADRP C[NH2+]C[C@@H]1CCCN1CCOc1cccc2ccccc21 ZINC000430564173 393993815 /nfs/dbraw/zinc/99/38/15/393993815.db2.gz AVMDYVJFNMLUGO-INIZCTEOSA-N 2 0 284.403 2.902 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC1(C)C ZINC000487322286 393998031 /nfs/dbraw/zinc/99/80/31/393998031.db2.gz QILHIPHCDOGFGJ-OFQRWUPVSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@H+](CCCOc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000430618497 393999680 /nfs/dbraw/zinc/99/96/80/393999680.db2.gz USGSXYSOHQTCBU-UHFFFAOYSA-N 2 0 282.815 2.793 20 0 CFADRP [NH3+]C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000430616750 393999758 /nfs/dbraw/zinc/99/97/58/393999758.db2.gz HLSOHIUPALGBBL-UHFFFAOYSA-N 2 0 268.788 2.532 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@H](C)C2)CC[NH+](C)CC1 ZINC000353232530 394026013 /nfs/dbraw/zinc/02/60/13/394026013.db2.gz WDJSCSSFPWOJRG-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000269075971 394002457 /nfs/dbraw/zinc/00/24/57/394002457.db2.gz YJSGEKUHSMDAEX-PBHICJAKSA-N 2 0 288.435 2.671 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000125619196 394010656 /nfs/dbraw/zinc/01/06/56/394010656.db2.gz VOIPYNMYIPSURG-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000352540876 394015236 /nfs/dbraw/zinc/01/52/36/394015236.db2.gz QSQZHZMDENRQFB-BZUAXINKSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc[nH+]1 ZINC000488723689 394038645 /nfs/dbraw/zinc/03/86/45/394038645.db2.gz RBRKBHZCOOMMAO-WOSRLPQWSA-N 2 0 259.397 2.557 20 0 CFADRP [NH3+]CCCCNc1ncccc1OCc1ccccc1 ZINC000420229678 394100684 /nfs/dbraw/zinc/10/06/84/394100684.db2.gz HDOMJOFTCLBQBX-UHFFFAOYSA-N 2 0 271.364 2.811 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000354310487 394044390 /nfs/dbraw/zinc/04/43/90/394044390.db2.gz CQHXPTSFUUCQMS-ZJPYXAASSA-N 2 0 296.499 2.884 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000354330010 394045570 /nfs/dbraw/zinc/04/55/70/394045570.db2.gz NBODAXYDGPLACD-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000130069195 394101072 /nfs/dbraw/zinc/10/10/72/394101072.db2.gz RBFPBBQROWNPPJ-IHRRRGAJSA-N 2 0 292.423 2.837 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000437580507 394060744 /nfs/dbraw/zinc/06/07/44/394060744.db2.gz NOCOAQCABDOJQF-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000355331226 394063261 /nfs/dbraw/zinc/06/32/61/394063261.db2.gz YGTJPPPTLOFECW-RRFJBIMHSA-N 2 0 297.487 2.532 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419888363 394066881 /nfs/dbraw/zinc/06/68/81/394066881.db2.gz FOQYNQJDZQADHF-MRXNPFEDSA-N 2 0 297.487 2.582 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH3+] ZINC000437793688 394076254 /nfs/dbraw/zinc/07/62/54/394076254.db2.gz NZQFUHAFRNSZKT-SNVBAGLBSA-N 2 0 260.303 2.575 20 0 CFADRP C(C[C@H]1CCOC1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000437797797 394076288 /nfs/dbraw/zinc/07/62/88/394076288.db2.gz JEYDSZHCJAWXJI-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356831883 394081223 /nfs/dbraw/zinc/08/12/23/394081223.db2.gz BGBJEEMPKAUKDX-ROUUACIJSA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000356973426 394082457 /nfs/dbraw/zinc/08/24/57/394082457.db2.gz BCACLUUICUDHIZ-TWMKSMIVSA-N 2 0 280.456 2.608 20 0 CFADRP CN(c1ccccc1)c1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ncn1 ZINC000420244149 394104296 /nfs/dbraw/zinc/10/42/96/394104296.db2.gz XYIXDJZJTMECIR-UONOGXRCSA-N 2 0 297.406 2.926 20 0 CFADRP C[NH2+][C@H]1CCCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000420157518 394086031 /nfs/dbraw/zinc/08/60/31/394086031.db2.gz OTNVCHJDQVVCKZ-NSHDSACASA-N 2 0 289.354 2.571 20 0 CFADRP COCCC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1 ZINC000281880043 394088110 /nfs/dbraw/zinc/08/81/10/394088110.db2.gz GCCJLSDGEIEURI-MRXNPFEDSA-N 2 0 282.403 2.835 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CC2=CCCOC2)C1 ZINC000126520737 394029886 /nfs/dbraw/zinc/02/98/86/394029886.db2.gz LYJAGEVKZCMHGV-HOTGVXAUSA-N 2 0 280.456 2.681 20 0 CFADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000420265462 394109263 /nfs/dbraw/zinc/10/92/63/394109263.db2.gz VHUDOWORLHZCJH-OLZOCXBDSA-N 2 0 285.366 2.728 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCCN1CCCc1ccsc1 ZINC000420275521 394112888 /nfs/dbraw/zinc/11/28/88/394112888.db2.gz QMIHRNVKSNPECA-GXTWGEPZSA-N 2 0 252.427 2.882 20 0 CFADRP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420382539 394118454 /nfs/dbraw/zinc/11/84/54/394118454.db2.gz PXRTUZDPMKYSSZ-IAGOWNOFSA-N 2 0 299.422 2.525 20 0 CFADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)Cc2ccccc21 ZINC000420355699 394118615 /nfs/dbraw/zinc/11/86/15/394118615.db2.gz FOFJBALKEABGLY-AWEZNQCLSA-N 2 0 258.409 2.779 20 0 CFADRP C(C[N@@H+]1CCO[C@@H](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000420383326 394119189 /nfs/dbraw/zinc/11/91/89/394119189.db2.gz ZFTCKVYIXUEMKV-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@H]1C[NH3+] ZINC000420391233 394119211 /nfs/dbraw/zinc/11/92/11/394119211.db2.gz ALPHJVRBSAVHKX-PVXIVEMSSA-N 2 0 262.372 2.730 20 0 CFADRP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420383766 394119278 /nfs/dbraw/zinc/11/92/78/394119278.db2.gz ZZGVEHPFBBIHKZ-UKPHBRMFSA-N 2 0 276.424 2.858 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359215854 394127081 /nfs/dbraw/zinc/12/70/81/394127081.db2.gz IZPHZNSSJMHTTD-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000131289074 394129330 /nfs/dbraw/zinc/12/93/30/394129330.db2.gz UOYBLLINACUXIN-QGZVFWFLSA-N 2 0 273.424 2.840 20 0 CFADRP CCc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000131383296 394131777 /nfs/dbraw/zinc/13/17/77/394131777.db2.gz ZECRESGWDFBOTH-HUUCEWRRSA-N 2 0 294.439 2.821 20 0 CFADRP CCCC1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000441388325 394138543 /nfs/dbraw/zinc/13/85/43/394138543.db2.gz XGBXMDOBXZBBJM-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000359650414 394139654 /nfs/dbraw/zinc/13/96/54/394139654.db2.gz PIRORTAMUXFBJE-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000131748094 394139806 /nfs/dbraw/zinc/13/98/06/394139806.db2.gz TUCRKTHDPKEAET-QXSJWSMHSA-N 2 0 282.472 2.900 20 0 CFADRP CO[C@H](C)C[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000444591789 394145467 /nfs/dbraw/zinc/14/54/67/394145467.db2.gz HSRLHCPAIZXEKH-OAHLLOKOSA-N 2 0 256.434 2.608 20 0 CFADRP CCCCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420981732 394146818 /nfs/dbraw/zinc/14/68/18/394146818.db2.gz NREWXFDKDJWMGY-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP C[C@H]1CCCC[NH+](CC(O)C[N@H+]2CCCC[C@H](C)C2)C1 ZINC000447304525 394151090 /nfs/dbraw/zinc/15/10/90/394151090.db2.gz WIZRWQYZXJTPCC-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP COC[C@@H](C)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000132958650 394166329 /nfs/dbraw/zinc/16/63/29/394166329.db2.gz UYYQBGKFHUAGJF-INIZCTEOSA-N 2 0 290.451 2.865 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000361239113 394168709 /nfs/dbraw/zinc/16/87/09/394168709.db2.gz SQXLELXTJXXWQW-MGPQQGTHSA-N 2 0 256.434 2.508 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000421367620 394204482 /nfs/dbraw/zinc/20/44/82/394204482.db2.gz FFCWAFLDWFJVSC-SLTXQBBLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000422838244 394256251 /nfs/dbraw/zinc/25/62/51/394256251.db2.gz WUMQFARGAYSTNH-GOEBONIOSA-N 2 0 260.425 2.942 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422815246 394256494 /nfs/dbraw/zinc/25/64/94/394256494.db2.gz BBCQLHNTBXUDJV-OKZBNKHCSA-N 2 0 293.499 2.617 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000135086401 394211203 /nfs/dbraw/zinc/21/12/03/394211203.db2.gz YPJHTEMWDAEOBL-FZMZJTMJSA-N 2 0 282.815 2.778 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2(CO)CCC2)CN1Cc1ccccc1 ZINC000364493469 394221519 /nfs/dbraw/zinc/22/15/19/394221519.db2.gz PESYYRBCSHMGOR-INIZCTEOSA-N 2 0 288.435 2.544 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000449133489 394224934 /nfs/dbraw/zinc/22/49/34/394224934.db2.gz DKVYPXUHOCULGQ-RCCFBDPRSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367615800 394258841 /nfs/dbraw/zinc/25/88/41/394258841.db2.gz MEUUPUBPUYJNNC-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421818315 394243285 /nfs/dbraw/zinc/24/32/85/394243285.db2.gz ACKNRUSMJYOAHV-MRXNPFEDSA-N 2 0 275.440 2.649 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000421822250 394244343 /nfs/dbraw/zinc/24/43/43/394244343.db2.gz WMHHNRNNYJZJBM-KRWDZBQOSA-N 2 0 299.462 2.793 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CSC[C@@H]1C)C(C)C ZINC000449182323 394244585 /nfs/dbraw/zinc/24/45/85/394244585.db2.gz JQFBPTOLLDARCZ-UONOGXRCSA-N 2 0 258.475 2.836 20 0 CFADRP CCCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000151038047 394259263 /nfs/dbraw/zinc/25/92/63/394259263.db2.gz JMKIJQOCQJJRMQ-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449208312 394252291 /nfs/dbraw/zinc/25/22/91/394252291.db2.gz DBYXWQDKCVBGEP-CVEARBPZSA-N 2 0 290.451 2.707 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC(C)(C)C[NH+](C)C ZINC000133862632 394184248 /nfs/dbraw/zinc/18/42/48/394184248.db2.gz NSTWSOLDQHAQGC-CYBMUJFWSA-N 2 0 266.404 2.934 20 0 CFADRP CC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422807376 394255342 /nfs/dbraw/zinc/25/53/42/394255342.db2.gz MMRLOHGABZBUGX-RVKKMQEKSA-N 2 0 289.467 2.539 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422769136 394255426 /nfs/dbraw/zinc/25/54/26/394255426.db2.gz UMZMWSUEPCCBEJ-YVSFHVDLSA-N 2 0 295.515 2.993 20 0 CFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000423005451 394260878 /nfs/dbraw/zinc/26/08/78/394260878.db2.gz MBBPPCFXDSQHBG-JQFCIGGWSA-N 2 0 296.418 2.803 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000423014154 394261137 /nfs/dbraw/zinc/26/11/37/394261137.db2.gz HMLJEHCPSORMLB-AZHAFVHUSA-N 2 0 282.815 2.885 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423031094 394261239 /nfs/dbraw/zinc/26/12/39/394261239.db2.gz WOTXXAFBUHEDMV-CBBWQLFWSA-N 2 0 268.445 2.700 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](SC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423025873 394261250 /nfs/dbraw/zinc/26/12/50/394261250.db2.gz AEALEZQKYSRYKK-FRRDWIJNSA-N 2 0 258.475 2.884 20 0 CFADRP C[C@H](N[C@H]1CCOc2c(F)cccc21)c1c[nH+]ccc1N ZINC000423064041 394261874 /nfs/dbraw/zinc/26/18/74/394261874.db2.gz XYVNUHCCPTYGKI-BONVTDFDSA-N 2 0 287.338 2.808 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000423051556 394262005 /nfs/dbraw/zinc/26/20/05/394262005.db2.gz OKVHZOOKEPILLB-MCIONIFRSA-N 2 0 256.434 2.686 20 0 CFADRP C[C@H]([NH2+]CCn1c2ccccc2c2ccccc21)C1C[NH2+]C1 ZINC000423037204 394262429 /nfs/dbraw/zinc/26/24/29/394262429.db2.gz VSYWCOLTPAYJAF-AWEZNQCLSA-N 2 0 293.414 2.992 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000423072379 394263127 /nfs/dbraw/zinc/26/31/27/394263127.db2.gz HBFZGTORVYRYKA-WOPDTQHZSA-N 2 0 270.804 2.823 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423074467 394264494 /nfs/dbraw/zinc/26/44/94/394264494.db2.gz USVDBHQXGXPEEF-HOCLYGCPSA-N 2 0 260.425 2.699 20 0 CFADRP C[C@@H](CNCc1ccc(Br)s1)C[NH+](C)C ZINC000291810100 394264504 /nfs/dbraw/zinc/26/45/04/394264504.db2.gz YDYJXELSEMUBCB-VIFPVBQESA-N 2 0 291.258 2.798 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423078141 394265309 /nfs/dbraw/zinc/26/53/09/394265309.db2.gz VFMRBDKRCISLMS-RHSMWYFYSA-N 2 0 275.440 2.986 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423077426 394265596 /nfs/dbraw/zinc/26/55/96/394265596.db2.gz MHXMDIFFQGHMTC-DOPJRALCSA-N 2 0 288.435 2.796 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423081057 394265945 /nfs/dbraw/zinc/26/59/45/394265945.db2.gz AXHNUYKHYPNYNG-YJBOKZPZSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000449243109 394266016 /nfs/dbraw/zinc/26/60/16/394266016.db2.gz IHBFHXUEEBZUKY-CQSZACIVSA-N 2 0 264.413 2.922 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CCC(F)(F)F ZINC000423080512 394266475 /nfs/dbraw/zinc/26/64/75/394266475.db2.gz SQLPOFJYYUBISM-QWHCGFSZSA-N 2 0 295.393 2.510 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423082130 394266629 /nfs/dbraw/zinc/26/66/29/394266629.db2.gz CPRYASDUQMUPMB-UAGQMJEPSA-N 2 0 294.414 2.805 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000423088619 394268274 /nfs/dbraw/zinc/26/82/74/394268274.db2.gz SKAMITFJMREKQA-IRXDYDNUSA-N 2 0 267.376 2.667 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CCC(OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423086974 394268641 /nfs/dbraw/zinc/26/86/41/394268641.db2.gz OJXJUXXNIBZKPK-FYRZTWFESA-N 2 0 268.445 2.702 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1C ZINC000423089862 394268911 /nfs/dbraw/zinc/26/89/11/394268911.db2.gz TYCCHNATHYTDFP-KBPBESRZSA-N 2 0 264.413 2.788 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423092156 394269173 /nfs/dbraw/zinc/26/91/73/394269173.db2.gz ATBPEVJIMZYORR-CMPLNLGQSA-N 2 0 283.366 2.935 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423092157 394269410 /nfs/dbraw/zinc/26/94/10/394269410.db2.gz ATBPEVJIMZYORR-JQWIXIFHSA-N 2 0 283.366 2.935 20 0 CFADRP FCCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423142453 394271193 /nfs/dbraw/zinc/27/11/93/394271193.db2.gz VGKACXBLXYMTFY-ZBFHGGJFSA-N 2 0 278.371 2.582 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423128025 394271235 /nfs/dbraw/zinc/27/12/35/394271235.db2.gz UQTYNZUZQIWLPG-XKQJLSEDSA-N 2 0 275.440 2.841 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)C12CCC2 ZINC000423178909 394272770 /nfs/dbraw/zinc/27/27/70/394272770.db2.gz LFXMRFBRAGQYHH-KBPBESRZSA-N 2 0 266.429 2.585 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423207612 394273459 /nfs/dbraw/zinc/27/34/59/394273459.db2.gz XSLYDFGCLVMIIT-VOMCLLRMSA-N 2 0 266.351 2.943 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423211906 394273611 /nfs/dbraw/zinc/27/36/11/394273611.db2.gz HUGWWPXRBAATID-OHFALNGGSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423225327 394274218 /nfs/dbraw/zinc/27/42/18/394274218.db2.gz MHFHWHGVFIXOQV-QWRGUYRKSA-N 2 0 256.340 2.613 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@H]1CCC[NH2+]C1 ZINC000423221773 394274269 /nfs/dbraw/zinc/27/42/69/394274269.db2.gz YBLCVKRTCPSZKJ-HEHGZKQESA-N 2 0 274.408 2.747 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2CCCO)C1 ZINC000449387689 394274539 /nfs/dbraw/zinc/27/45/39/394274539.db2.gz MQJRTNKRUSUDFC-BRWVUGGUSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423306054 394276555 /nfs/dbraw/zinc/27/65/55/394276555.db2.gz LCHMUFFKKODNNO-IINYFYTJSA-N 2 0 256.340 2.846 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)C1 ZINC000423347028 394277743 /nfs/dbraw/zinc/27/77/43/394277743.db2.gz PXLWTIMKZCGDCH-YJBOKZPZSA-N 3 0 291.483 2.539 20 0 CFADRP Cc1cc(NCCCCC[NH+]2CCCC2)nc(C)n1 ZINC000292861276 394277969 /nfs/dbraw/zinc/27/79/69/394277969.db2.gz SDGRGBJYLVQCEQ-UHFFFAOYSA-N 2 0 262.401 2.771 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423328947 394278253 /nfs/dbraw/zinc/27/82/53/394278253.db2.gz MMEHOGNKSREENT-HOTGVXAUSA-N 2 0 262.372 2.792 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000423358236 394279113 /nfs/dbraw/zinc/27/91/13/394279113.db2.gz BNVFUYJOJLPVQG-ZMLRMANQSA-N 2 0 283.803 2.664 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CCC(F)(F)CC1 ZINC000423370111 394279157 /nfs/dbraw/zinc/27/91/57/394279157.db2.gz UDTOCVYRQIYYCB-WCQYABFASA-N 2 0 260.372 2.932 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCCO2 ZINC000423387732 394279549 /nfs/dbraw/zinc/27/95/49/394279549.db2.gz IAUHWPGYEYVHGZ-NUEKZKHPSA-N 2 0 274.408 2.796 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423394764 394280096 /nfs/dbraw/zinc/28/00/96/394280096.db2.gz SHQYJHMCMWFYNP-LJISPDSOSA-N 2 0 268.445 2.556 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423413063 394280737 /nfs/dbraw/zinc/28/07/37/394280737.db2.gz JOUKEBISMCMRBL-KLHDSHLOSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423420623 394280830 /nfs/dbraw/zinc/28/08/30/394280830.db2.gz BQLBRKCEWVQMDS-BPQIPLTHSA-N 2 0 289.467 2.929 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000423405815 394280974 /nfs/dbraw/zinc/28/09/74/394280974.db2.gz TZEJIZKCFPSAOI-UGFHNGPFSA-N 2 0 250.361 2.864 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423411099 394281178 /nfs/dbraw/zinc/28/11/78/394281178.db2.gz FBNCZHDSOKGHIY-SOUVJXGZSA-N 2 0 256.434 2.559 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423462617 394282728 /nfs/dbraw/zinc/28/27/28/394282728.db2.gz KVPUBWCPIHGPJP-VXGBXAGGSA-N 2 0 297.240 2.633 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000423500727 394283987 /nfs/dbraw/zinc/28/39/87/394283987.db2.gz IQSKFVOPYBHRDX-GLQYFDAESA-N 2 0 282.815 2.745 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000423504322 394284687 /nfs/dbraw/zinc/28/46/87/394284687.db2.gz FVPUDOVQBZOLOZ-CVEARBPZSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCCOC1 ZINC000423503216 394284888 /nfs/dbraw/zinc/28/48/88/394284888.db2.gz FUCFXUFVZYDELF-XIRDDKMYSA-N 2 0 276.424 2.871 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1F ZINC000423509226 394285245 /nfs/dbraw/zinc/28/52/45/394285245.db2.gz OIRQOJMLQMIYSO-HUBLWGQQSA-N 2 0 250.361 2.994 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423510120 394286027 /nfs/dbraw/zinc/28/60/27/394286027.db2.gz SDAKNNLLVPFBGE-HZPDHXFCSA-N 2 0 292.398 2.929 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1F ZINC000423514546 394286892 /nfs/dbraw/zinc/28/68/92/394286892.db2.gz SJRHYCHQRXCSMQ-DMDPSCGWSA-N 2 0 266.360 2.612 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCOC1 ZINC000423514410 394287126 /nfs/dbraw/zinc/28/71/26/394287126.db2.gz WMALPSRGYXKUJA-ULQDDVLXSA-N 2 0 276.424 2.871 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000423518663 394287940 /nfs/dbraw/zinc/28/79/40/394287940.db2.gz VCHBXLFCVOXAPK-MJBXVCDLSA-N 2 0 262.397 2.782 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423515851 394288587 /nfs/dbraw/zinc/28/85/87/394288587.db2.gz VXKBUYRLYAPHJL-BACDZXNISA-N 2 0 293.499 2.617 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000423522103 394289281 /nfs/dbraw/zinc/28/92/81/394289281.db2.gz XINXOUBRARPQFS-NHCYSSNCSA-N 2 0 283.803 2.522 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000153752730 394291506 /nfs/dbraw/zinc/29/15/06/394291506.db2.gz YAGSOQWHKSTJBI-INIZCTEOSA-N 2 0 278.440 2.922 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCCOC1 ZINC000423531584 394292181 /nfs/dbraw/zinc/29/21/81/394292181.db2.gz SWWWYLNNBBHTRH-QQAPYWDPSA-N 2 0 292.467 2.545 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423536668 394293022 /nfs/dbraw/zinc/29/30/22/394293022.db2.gz IBXFEUKFRGRBOI-CYBMUJFWSA-N 2 0 287.407 2.605 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423534562 394293065 /nfs/dbraw/zinc/29/30/65/394293065.db2.gz AEDAUNQWBJDINP-CVEARBPZSA-N 2 0 280.456 2.870 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423535038 394293329 /nfs/dbraw/zinc/29/33/29/394293329.db2.gz BQYVGRCQOBHDKF-AWEZNQCLSA-N 2 0 288.439 2.959 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423540357 394294132 /nfs/dbraw/zinc/29/41/32/394294132.db2.gz DKDLGGYMCGDBQA-CZPYZCIJSA-N 2 0 260.381 2.678 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1(CC)CC ZINC000423541037 394294876 /nfs/dbraw/zinc/29/48/76/394294876.db2.gz KMOSKHWVXZLPSC-JZAWBGDQSA-N 2 0 294.483 2.948 20 0 CFADRP CC[C@H](C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423550493 394296474 /nfs/dbraw/zinc/29/64/74/394296474.db2.gz NXUHNIFWDSLXFH-JLJPHGGASA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423554936 394297367 /nfs/dbraw/zinc/29/73/67/394297367.db2.gz XJFHUKIEDSIXJA-RYPNDVFKSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423556072 394297393 /nfs/dbraw/zinc/29/73/93/394297393.db2.gz MJOYFEVHXWMTBZ-KRWDZBQOSA-N 2 0 260.425 2.985 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H](C)C2 ZINC000423563275 394297758 /nfs/dbraw/zinc/29/77/58/394297758.db2.gz RHXYBWIMADGSPD-SUMWQHHRSA-N 2 0 258.409 2.960 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CCC[NH2+]C1CC1)CC2 ZINC000423566318 394298303 /nfs/dbraw/zinc/29/83/03/394298303.db2.gz UCIWVHAQDDOYPW-UHFFFAOYSA-N 2 0 258.409 2.666 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000423570834 394299000 /nfs/dbraw/zinc/29/90/00/394299000.db2.gz XEKPGGIIEDIASG-HYVNUMGLSA-N 2 0 273.424 2.840 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC[C@H](C)O)CC1)CC1CC1 ZINC000450654996 394311197 /nfs/dbraw/zinc/31/11/97/394311197.db2.gz SOUOIUAXEZRVCE-HNNXBMFYSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000155679098 394321460 /nfs/dbraw/zinc/32/14/60/394321460.db2.gz MGLGESSEHBIFAM-GVDBMIGSSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000157362474 394344087 /nfs/dbraw/zinc/34/40/87/394344087.db2.gz RJFGZZQNDXKRCF-CVEARBPZSA-N 2 0 278.444 2.516 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159286501 394365396 /nfs/dbraw/zinc/36/53/96/394365396.db2.gz MKNYXRWXBTUXBZ-HZPDHXFCSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000497410699 394365702 /nfs/dbraw/zinc/36/57/02/394365702.db2.gz JJHKVEAOYRYUDE-SPUZQDLCSA-N 2 0 288.435 2.694 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501055916 394365890 /nfs/dbraw/zinc/36/58/90/394365890.db2.gz RPHYPVWGPIXBAF-MSOLQXFVSA-N 2 0 295.515 2.961 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000519714934 394376483 /nfs/dbraw/zinc/37/64/83/394376483.db2.gz SXEVNBQIZXIKSM-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453120257 394381825 /nfs/dbraw/zinc/38/18/25/394381825.db2.gz CPWAPGUFXUJDKP-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453252460 394382603 /nfs/dbraw/zinc/38/26/03/394382603.db2.gz MURUOCFVPVIAKR-MJBXVCDLSA-N 2 0 264.417 2.599 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000177988040 394385711 /nfs/dbraw/zinc/38/57/11/394385711.db2.gz UTMBCOXQRKWYOE-KRWDZBQOSA-N 2 0 290.451 2.967 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccn1 ZINC000527535897 394389255 /nfs/dbraw/zinc/38/92/55/394389255.db2.gz VBQAVQWEGIODFH-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP COC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000089215015 135058126 /nfs/dbraw/zinc/05/81/26/135058126.db2.gz UHCOTZUQNAPLEA-QGZVFWFLSA-N 2 0 291.439 2.559 20 0 CFADRP C[N@H+](CCCOC(C)(C)C)CCC[NH+]1CCCC1 ZINC000685004169 542886799 /nfs/dbraw/zinc/88/67/99/542886799.db2.gz ILYIDEOCDMWQKJ-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211987099 542888848 /nfs/dbraw/zinc/88/88/48/542888848.db2.gz PLEXOOLALBQERR-QGZVFWFLSA-N 2 0 258.409 2.953 20 0 CFADRP c1cc2c(cc[nH+]c2NC[C@@H]2CC[N@@H+]2C2CCCC2)[nH]1 ZINC000528213501 394403367 /nfs/dbraw/zinc/40/33/67/394403367.db2.gz ZDSMMFJELJVKOZ-ZDUSSCGKSA-N 2 0 270.380 2.992 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000453590186 394405824 /nfs/dbraw/zinc/40/58/24/394405824.db2.gz AYFDUQAHPRTXNP-DZGCQCFKSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)C(C)(C)C ZINC000685455287 542916549 /nfs/dbraw/zinc/91/65/49/542916549.db2.gz LXJYPPBUKFIZPE-INIZCTEOSA-N 2 0 295.515 2.628 20 0 CFADRP C[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685458030 542916693 /nfs/dbraw/zinc/91/66/93/542916693.db2.gz XZFWGJKFHVCFTF-WBVHZDCISA-N 2 0 295.515 2.769 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)CC2 ZINC000528002341 394437694 /nfs/dbraw/zinc/43/76/94/394437694.db2.gz PXLBLRAHHHQBIK-SJLPKXTDSA-N 2 0 299.462 2.936 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)C[NH+]1CCCCC1 ZINC000527847494 394416441 /nfs/dbraw/zinc/41/64/41/394416441.db2.gz HZSNMHANEKTNMV-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC23CC3)[C@@H](C)C1 ZINC000527866913 394419052 /nfs/dbraw/zinc/41/90/52/394419052.db2.gz QKFJZHVHZRDFSM-YVSFHVDLSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC12CC2 ZINC000527871991 394419605 /nfs/dbraw/zinc/41/96/05/394419605.db2.gz KVJPXSILXWHOBB-LLLHUVSDSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CC12CC2 ZINC000527892586 394422245 /nfs/dbraw/zinc/42/22/45/394422245.db2.gz KNUYQDRRKBNNCU-UONOGXRCSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)[C@@]1(C)CCCO1 ZINC000527944350 394429673 /nfs/dbraw/zinc/42/96/73/394429673.db2.gz CUFQDYITXIAHJT-BHYGNILZSA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179446 394473151 /nfs/dbraw/zinc/47/31/51/394473151.db2.gz VCWIDOPHGCVZIO-JSGCOSHPSA-N 2 0 264.438 2.943 20 0 CFADRP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000530180002 394473330 /nfs/dbraw/zinc/47/33/30/394473330.db2.gz ZQAWVRUVNIJJLK-HNNXBMFYSA-N 2 0 278.440 2.600 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207882 394479691 /nfs/dbraw/zinc/47/96/91/394479691.db2.gz FANPPJBFCTZROK-ZBFHGGJFSA-N 2 0 250.430 2.920 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)OCC ZINC000530208624 394480881 /nfs/dbraw/zinc/48/08/81/394480881.db2.gz GEEVKBJAWJNZKS-KCXAZCMYSA-N 2 0 262.397 2.926 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000530218514 394486623 /nfs/dbraw/zinc/48/66/23/394486623.db2.gz GOEXWIIEBYULMQ-BRWVUGGUSA-N 2 0 273.424 2.790 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000530223294 394488568 /nfs/dbraw/zinc/48/85/68/394488568.db2.gz SYLAIIRPVPEOKS-BBRMVZONSA-N 2 0 261.413 2.790 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000530226574 394491291 /nfs/dbraw/zinc/49/12/91/394491291.db2.gz SJPMTYXUELFDAP-JKSUJKDBSA-N 2 0 280.456 2.641 20 0 CFADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000530238199 394494299 /nfs/dbraw/zinc/49/42/99/394494299.db2.gz LNPZZWJYJLGNSY-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1C[NH+](CCCC[N@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000536541882 394559456 /nfs/dbraw/zinc/55/94/56/394559456.db2.gz VLELAWRDDRJBAU-GEEKYZPCSA-N 2 0 252.446 2.942 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414984254 533673087 /nfs/dbraw/zinc/67/30/87/533673087.db2.gz ACBSZSRGCDWETA-AAEUAGOBSA-N 2 0 282.815 2.956 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000539092148 394622279 /nfs/dbraw/zinc/62/22/79/394622279.db2.gz XTJBEHSPEYNMFJ-WBVHZDCISA-N 2 0 276.424 2.612 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CCCn2ccnc2)c1 ZINC000539413920 394625332 /nfs/dbraw/zinc/62/53/32/394625332.db2.gz WAPIEOFZJPQOIZ-KRWDZBQOSA-N 2 0 299.418 2.989 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C1CCCCCC1 ZINC000543407243 394729247 /nfs/dbraw/zinc/72/92/47/394729247.db2.gz QJOTUPWUSXLJMH-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1ccc(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000543247414 394726646 /nfs/dbraw/zinc/72/66/46/394726646.db2.gz QGHXODBBADXABO-UHFFFAOYSA-N 2 0 296.374 2.809 20 0 CFADRP CC(C)[C@@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504374 394872094 /nfs/dbraw/zinc/87/20/94/394872094.db2.gz BRQCZXLNSDYAPB-RYQLBKOJSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000548317548 394922876 /nfs/dbraw/zinc/92/28/76/394922876.db2.gz HBZHISUERZBFOO-DZGCQCFKSA-N 2 0 285.391 2.514 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000556892597 395023491 /nfs/dbraw/zinc/02/34/91/395023491.db2.gz KVRURSMKIOJKKB-ILXRZTDVSA-N 2 0 250.430 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@@H]3C(C)=CCC[C@H]3C)[C@H]2C1 ZINC000556928998 395025060 /nfs/dbraw/zinc/02/50/60/395025060.db2.gz QEKSFTASNBTKPK-ZJPYXAASSA-N 2 0 292.467 2.774 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000570621567 395085329 /nfs/dbraw/zinc/08/53/29/395085329.db2.gz BZOPSSCAWMRNPU-MCIONIFRSA-N 2 0 270.486 2.838 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570621566 395085387 /nfs/dbraw/zinc/08/53/87/395085387.db2.gz BZOPSSCAWMRNPU-HZSPNIEDSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000571006916 395086329 /nfs/dbraw/zinc/08/63/29/395086329.db2.gz PKLKZSWTTWKZLY-GTPINHCMSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC000648424462 395138397 /nfs/dbraw/zinc/13/83/97/395138397.db2.gz ZRNWRWPEQFGZLS-QBPKDAKJSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000648436443 395141618 /nfs/dbraw/zinc/14/16/18/395141618.db2.gz VBKWQTZPCFQWFS-ZBFHGGJFSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648448183 395147859 /nfs/dbraw/zinc/14/78/59/395147859.db2.gz ACAPSMDAEFQFDI-SFHVURJKSA-N 2 0 272.436 2.865 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000648450615 395148610 /nfs/dbraw/zinc/14/86/10/395148610.db2.gz WEZDDBFBHYHLAZ-SJLPKXTDSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CO1 ZINC000647168898 395194671 /nfs/dbraw/zinc/19/46/71/395194671.db2.gz QEXYIBOEXKIVDH-YJBOKZPZSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000647176308 395201843 /nfs/dbraw/zinc/20/18/43/395201843.db2.gz BDDPRGSFOWSFEH-PBHICJAKSA-N 2 0 276.424 2.794 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CO1 ZINC000647177119 395201988 /nfs/dbraw/zinc/20/19/88/395201988.db2.gz LVYRLUAECXJFPD-DZGCQCFKSA-N 2 0 294.464 2.727 20 0 CFADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCCc3ccccc3C1)CC2 ZINC000648591565 395209442 /nfs/dbraw/zinc/20/94/42/395209442.db2.gz JMCXKERJUJXCQY-JKSUJKDBSA-N 2 0 281.403 2.804 20 0 CFADRP c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCCc3ccccc3C1)CC2 ZINC000648591562 395209500 /nfs/dbraw/zinc/20/95/00/395209500.db2.gz JMCXKERJUJXCQY-CVEARBPZSA-N 2 0 281.403 2.804 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CO1 ZINC000647195841 395217038 /nfs/dbraw/zinc/21/70/38/395217038.db2.gz GEGJTPVGXVABFL-SOEBMCCKSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@H]2CCC[C@@H]21 ZINC000647350403 395310387 /nfs/dbraw/zinc/31/03/87/395310387.db2.gz RUMQXPAEAYGHFT-NCOXYXGASA-N 2 0 268.420 2.977 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@H]2CCSC2)[C@H](c2ccccc2)C1 ZINC000647249115 395255589 /nfs/dbraw/zinc/25/55/89/395255589.db2.gz BVUFOIZWSJAINV-OIISXLGYSA-N 2 0 290.476 2.675 20 0 CFADRP COCC(C)(C)C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249342 395255906 /nfs/dbraw/zinc/25/59/06/395255906.db2.gz SZCFQTWWQMPXIG-SJORKVTESA-N 2 0 290.451 2.594 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249255 395255933 /nfs/dbraw/zinc/25/59/33/395255933.db2.gz NZKFJXLXSAOXKY-JQHSSLGASA-N 2 0 290.451 2.735 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000647255536 395259972 /nfs/dbraw/zinc/25/99/72/395259972.db2.gz DNZGTCFPYPPFEM-BRWVUGGUSA-N 2 0 288.435 2.905 20 0 CFADRP c1ccc2c(C[N@H+](C3CC3)C3CC[NH2+]CC3)ccnc2c1 ZINC000647482847 395354727 /nfs/dbraw/zinc/35/47/27/395354727.db2.gz COMHZPZYZOKRNN-UHFFFAOYSA-N 2 0 281.403 2.951 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647485588 395357464 /nfs/dbraw/zinc/35/74/64/395357464.db2.gz GUFZQSVXPXBUQD-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@H]1[NH3+] ZINC000647497231 395359962 /nfs/dbraw/zinc/35/99/62/395359962.db2.gz AKKAXSSCBSQAPF-CXAGYDPISA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498793 395363858 /nfs/dbraw/zinc/36/38/58/395363858.db2.gz QRLVSTJUMCLUID-CJNGLKHVSA-N 2 0 284.407 2.636 20 0 CFADRP CC(C)([NH3+])C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000647513170 395368612 /nfs/dbraw/zinc/36/86/12/395368612.db2.gz GXAZCVFTZXXCFM-UHFFFAOYSA-N 2 0 290.407 2.897 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647532997 395377654 /nfs/dbraw/zinc/37/76/54/395377654.db2.gz JJMKGKPHENSCIY-ZNMIVQPWSA-N 2 0 250.430 2.887 20 0 CFADRP Oc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542962 395384606 /nfs/dbraw/zinc/38/46/06/395384606.db2.gz FIFCTXNWBNAKSK-HOTGVXAUSA-N 2 0 274.408 2.604 20 0 CFADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000647546865 395386923 /nfs/dbraw/zinc/38/69/23/395386923.db2.gz FGZTZWZOQCBVKX-GFCCVEGCSA-N 2 0 290.411 2.596 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1c(C)noc1C ZINC000647548457 395386974 /nfs/dbraw/zinc/38/69/74/395386974.db2.gz BHKVYELMGHNFRA-YJNKXOJESA-N 2 0 277.412 2.720 20 0 CFADRP Cc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C[NH+](C)C)c1 ZINC000647548155 395387369 /nfs/dbraw/zinc/38/73/69/395387369.db2.gz WVMBVQNUXAWEBI-YQQAZPJKSA-N 2 0 287.451 2.857 20 0 CFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549241 395388073 /nfs/dbraw/zinc/38/80/73/395388073.db2.gz OZDCJDQLFCIPIN-BZUAXINKSA-N 2 0 284.403 2.953 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549314 395388122 /nfs/dbraw/zinc/38/81/22/395388122.db2.gz SNPSQVXFKTYIEI-HGTKMLMNSA-N 2 0 292.398 2.571 20 0 CFADRP Clc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549327 395388246 /nfs/dbraw/zinc/38/82/46/395388246.db2.gz UFYRZOXMJAGIRX-SQWLQELKSA-N 2 0 278.827 2.860 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000647552781 395391979 /nfs/dbraw/zinc/39/19/79/395391979.db2.gz WSOMALDBMLDVSI-LSDHHAIUSA-N 2 0 299.418 2.876 20 0 CFADRP CC(C)[NH2+]C1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647866426 395447746 /nfs/dbraw/zinc/44/77/46/395447746.db2.gz TWGALAJFSBJRNS-UHFFFAOYSA-N 2 0 258.369 2.530 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000647868362 395447750 /nfs/dbraw/zinc/44/77/50/395447750.db2.gz RWORBBSXCONSHX-GFCCVEGCSA-N 2 0 258.369 2.849 20 0 CFADRP CCc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647874822 395449301 /nfs/dbraw/zinc/44/93/01/395449301.db2.gz BQBGJUWNHCBPFT-INIZCTEOSA-N 2 0 258.409 2.823 20 0 CFADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000647880382 395450293 /nfs/dbraw/zinc/45/02/93/395450293.db2.gz RWGIFQISXJEYIS-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647884160 395452435 /nfs/dbraw/zinc/45/24/35/395452435.db2.gz USOBQQRZDNZGFD-SJORKVTESA-N 2 0 258.409 2.611 20 0 CFADRP c1cc2c(s1)CCC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000647884675 395452645 /nfs/dbraw/zinc/45/26/45/395452645.db2.gz WUBHNYZZFRWNPS-UHFFFAOYSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647889353 395453098 /nfs/dbraw/zinc/45/30/98/395453098.db2.gz JKUBBDMFHOMJSB-OIISXLGYSA-N 2 0 258.409 2.549 20 0 CFADRP Fc1ccc(C[N@H+](CC2CC2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647885946 395453108 /nfs/dbraw/zinc/45/31/08/395453108.db2.gz QVOQKWRCXMKROY-OAHLLOKOSA-N 2 0 262.372 2.647 20 0 CFADRP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886043 395453202 /nfs/dbraw/zinc/45/32/02/395453202.db2.gz LLSPOGKRBVDKJN-IOASZLSFSA-N 2 0 262.372 2.818 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647889352 395453222 /nfs/dbraw/zinc/45/32/22/395453222.db2.gz JKUBBDMFHOMJSB-HYVNUMGLSA-N 2 0 258.409 2.549 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000647890803 395454010 /nfs/dbraw/zinc/45/40/10/395454010.db2.gz WJPCPBVMYGYYLD-HNNXBMFYSA-N 2 0 270.486 2.840 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2c(O)cccc12 ZINC000649223553 395454426 /nfs/dbraw/zinc/45/44/26/395454426.db2.gz DHVWLRVRAXKGRV-GFCCVEGCSA-N 2 0 271.364 2.837 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCCC2CC[NH2+]CC2)C1 ZINC000647892255 395454970 /nfs/dbraw/zinc/45/49/70/395454970.db2.gz JKYSJNMRQXYQBO-CRAIPNDOSA-N 2 0 296.499 2.933 20 0 CFADRP FC(F)(F)[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)CC12CCC2 ZINC000647991616 395474097 /nfs/dbraw/zinc/47/40/97/395474097.db2.gz SWOHWFFBHUMSJO-NEPJUHHUSA-N 2 0 276.346 2.650 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000647990404 395474206 /nfs/dbraw/zinc/47/42/06/395474206.db2.gz XUAOLWPSAWLTTI-SFHVURJKSA-N 3 0 295.515 2.676 20 0 CFADRP C[C@H]([NH2+]CCCC1CC[NH2+]CC1)c1nc(C(C)(C)C)no1 ZINC000647992176 395474282 /nfs/dbraw/zinc/47/42/82/395474282.db2.gz OCJVXPQZXLZACT-LBPRGKRZSA-N 2 0 294.443 2.798 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC000647956604 395464525 /nfs/dbraw/zinc/46/45/25/395464525.db2.gz PNISFJBPBWFGTO-SJORKVTESA-N 2 0 274.383 2.889 20 0 CFADRP CC(C)[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000649268582 395465332 /nfs/dbraw/zinc/46/53/32/395465332.db2.gz VQPLEHZBDSUUKP-INIZCTEOSA-N 2 0 289.423 2.594 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)C1CCCCC1 ZINC000647962015 395467459 /nfs/dbraw/zinc/46/74/59/395467459.db2.gz JJNPWMPOXZIIKG-QGZVFWFLSA-N 2 0 282.472 2.732 20 0 CFADRP c1ccc2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000647784172 395427214 /nfs/dbraw/zinc/42/72/14/395427214.db2.gz LDKWIKDUAZTFSJ-ARFHVFGLSA-N 2 0 281.403 2.713 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786785 395427988 /nfs/dbraw/zinc/42/79/88/395427988.db2.gz YNXQUWQVMUYNOU-UUAJXVIYSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786784 395428045 /nfs/dbraw/zinc/42/80/45/395428045.db2.gz YNXQUWQVMUYNOU-JJTUDDRGSA-N 2 0 280.456 2.559 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788557 395428846 /nfs/dbraw/zinc/42/88/46/395428846.db2.gz LZMGFKQTLTUJNX-KZNAEPCWSA-N 2 0 288.435 2.701 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Oc1cccc(F)c1 ZINC000647788876 395428914 /nfs/dbraw/zinc/42/89/14/395428914.db2.gz UIDPMGAMMHHYDG-IXYNUQLISA-N 2 0 292.398 2.571 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647789981 395429409 /nfs/dbraw/zinc/42/94/09/395429409.db2.gz OUHDNSFFANZVHE-HRCADAONSA-N 2 0 280.456 2.561 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647790089 395429417 /nfs/dbraw/zinc/42/94/17/395429417.db2.gz RGHGTHJJHABDSQ-XUWVNRHRSA-N 2 0 286.419 2.530 20 0 CFADRP Fc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647791657 395429454 /nfs/dbraw/zinc/42/94/54/395429454.db2.gz JRRDQQOGIPJGBL-HEHGZKQESA-N 2 0 274.383 2.793 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647791522 395429779 /nfs/dbraw/zinc/42/97/79/395429779.db2.gz GQPPMGSOUQJIFN-AVEIZBFRSA-N 2 0 270.420 2.910 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789951 395429894 /nfs/dbraw/zinc/42/98/94/395429894.db2.gz OHTLGOVWVBBMKV-BHYGNILZSA-N 2 0 288.435 2.871 20 0 CFADRP Fc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647791689 395429979 /nfs/dbraw/zinc/42/99/79/395429979.db2.gz KHSMZRFCBBARDY-HEHGZKQESA-N 2 0 274.383 2.793 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000647792985 395430190 /nfs/dbraw/zinc/43/01/90/395430190.db2.gz GXWCYHTYFKUBNV-NXOAAHMSSA-N 2 0 282.472 2.805 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647793280 395430292 /nfs/dbraw/zinc/43/02/92/395430292.db2.gz RSMQLIXKGDVSLS-QCEMKRCNSA-N 2 0 276.424 2.887 20 0 CFADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647791795 395430307 /nfs/dbraw/zinc/43/03/07/395430307.db2.gz MYXBUNPSDDNAOC-VPWBDBDCSA-N 2 0 290.382 2.627 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647793609 395430448 /nfs/dbraw/zinc/43/04/48/395430448.db2.gz BTZCYNAPNRXSOD-WRQOLXDDSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647792018 395430461 /nfs/dbraw/zinc/43/04/61/395430461.db2.gz RNBWDGZCDNJGHC-BRWVUGGUSA-N 2 0 258.409 2.515 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647794721 395431143 /nfs/dbraw/zinc/43/11/43/395431143.db2.gz BSZFSZXCCAVMKE-LZLYRXPVSA-N 2 0 287.451 2.986 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000647794666 395431319 /nfs/dbraw/zinc/43/13/19/395431319.db2.gz AKDFSZRVRPRVIU-BRWVUGGUSA-N 2 0 294.483 2.951 20 0 CFADRP Fc1cccc(NCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793990 395431394 /nfs/dbraw/zinc/43/13/94/395431394.db2.gz NVDBDPICJKGOGB-GRDNDAEWSA-N 2 0 291.414 2.605 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647795738 395432126 /nfs/dbraw/zinc/43/21/26/395432126.db2.gz VEDBDFHNRKIECA-SOUVJXGZSA-N 2 0 291.464 2.671 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647796651 395432985 /nfs/dbraw/zinc/43/29/85/395432985.db2.gz IDAMXBBMDJGGCJ-OWCLPIDISA-N 2 0 290.476 2.929 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000647801146 395434654 /nfs/dbraw/zinc/43/46/54/395434654.db2.gz PKEBZRDUJOBBHS-DQGBIZLVSA-N 2 0 250.430 2.920 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000647995292 395475116 /nfs/dbraw/zinc/47/51/16/395475116.db2.gz MLLYUMPKCKZOCO-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)Cn1nccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000648003330 395477193 /nfs/dbraw/zinc/47/71/93/395477193.db2.gz ZWNRJQGXKKZZHU-AWEZNQCLSA-N 2 0 287.411 2.642 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000649413856 395489101 /nfs/dbraw/zinc/48/91/01/395489101.db2.gz NEUITJCJFJFGBB-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000649414561 395489762 /nfs/dbraw/zinc/48/97/62/395489762.db2.gz HSMJDDMKKTVRCV-QGZVFWFLSA-N 2 0 290.455 2.645 20 0 CFADRP CN(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000649415211 395490132 /nfs/dbraw/zinc/49/01/32/395490132.db2.gz PNJHNPOIVQXJER-WMZOPIPTSA-N 2 0 287.451 2.587 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000037149857 543025970 /nfs/dbraw/zinc/02/59/70/543025970.db2.gz PJCTXXJDJGQJMY-OAHLLOKOSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000037209580 543027591 /nfs/dbraw/zinc/02/75/91/543027591.db2.gz DUVVIJXCJYJKPB-CVEARBPZSA-N 3 0 281.488 2.571 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H](C)COC)C1CCCCC1 ZINC000650131566 395612895 /nfs/dbraw/zinc/61/28/95/395612895.db2.gz SDFWYBUTBLPZFL-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)O[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000649699069 395553915 /nfs/dbraw/zinc/55/39/15/395553915.db2.gz IGLOPQAJHFJKDA-JKSUJKDBSA-N 2 0 268.445 2.750 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOCc2ccccc2)CC[C@@H]1[NH3+] ZINC000309850668 413080096 /nfs/dbraw/zinc/08/00/96/413080096.db2.gz JIEISBFASLGPMI-SJORKVTESA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@H]1C[N@H+](CCCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309850650 413081393 /nfs/dbraw/zinc/08/13/93/413081393.db2.gz JIEISBFASLGPMI-DLBZAZTESA-N 2 0 276.424 2.653 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185888043 543050125 /nfs/dbraw/zinc/05/01/25/543050125.db2.gz RRPUJOIWLPLSMI-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@H](C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000380041323 543069936 /nfs/dbraw/zinc/06/99/36/543069936.db2.gz YUICDVMLAUCLMA-HOTGVXAUSA-N 2 0 283.504 2.530 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)CO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382033485 543093617 /nfs/dbraw/zinc/09/36/17/543093617.db2.gz FMODIYUAKYAPPO-RDJZCZTQSA-N 2 0 290.451 2.505 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000312993654 413093514 /nfs/dbraw/zinc/09/35/14/413093514.db2.gz XZNZVLKGUYHLGA-ZIAGYGMSSA-N 2 0 294.826 2.650 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459800665 289112118 /nfs/dbraw/zinc/11/21/18/289112118.db2.gz KOLIDTKVUXLWDE-ZIAGYGMSSA-N 2 0 270.461 2.900 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400999544 413161192 /nfs/dbraw/zinc/16/11/92/413161192.db2.gz LXFDFHNOJVRWIH-VNHYZAJKSA-N 2 0 264.800 2.818 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401133473 413159194 /nfs/dbraw/zinc/15/91/94/413159194.db2.gz PBEZWFRZDNWFJC-LXTVHRRPSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401097676 413159487 /nfs/dbraw/zinc/15/94/87/413159487.db2.gz BRGQKAHPXPISAW-YESZJQIVSA-N 2 0 258.409 2.515 20 0 CFADRP O[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)CC1CCCC1 ZINC000663374088 413167076 /nfs/dbraw/zinc/16/70/76/413167076.db2.gz DHMINYVUUJINSG-GOSISDBHSA-N 2 0 294.483 2.639 20 0 CFADRP CC[C@H](CO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285555396 397632813 /nfs/dbraw/zinc/63/28/13/397632813.db2.gz GWWDTLVAAHUBOD-WWDZGPRUSA-N 2 0 290.451 2.790 20 0 CFADRP Cc1nc(C)c(C)c(N2CCC(Cc3nccn3C)CC2)n1 ZINC000301668406 397638886 /nfs/dbraw/zinc/63/88/86/397638886.db2.gz DFISXZJBXWXSSB-UHFFFAOYSA-N 2 0 299.422 2.594 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)CCC1 ZINC000429515929 292123503 /nfs/dbraw/zinc/12/35/03/292123503.db2.gz KZPKICUWRQZJEP-CQSZACIVSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@H]1CCCC[NH2+]1 ZINC000650759459 397885251 /nfs/dbraw/zinc/88/52/51/397885251.db2.gz JWDHXOFQXFWBKD-USXIJHARSA-N 2 0 287.451 2.924 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759134 397885454 /nfs/dbraw/zinc/88/54/54/397885454.db2.gz DQRDIAXFDGTFRU-DJIMGWMZSA-N 2 0 287.451 2.781 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650759676 397886360 /nfs/dbraw/zinc/88/63/60/397886360.db2.gz NXMUYOYIHBSJBB-BQFCYCMXSA-N 2 0 287.451 2.924 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702675 397858831 /nfs/dbraw/zinc/85/88/31/397858831.db2.gz PEJJDOBRIOVYTB-CQSZACIVSA-N 2 0 258.409 2.607 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c1)CCC2 ZINC000650703618 397859554 /nfs/dbraw/zinc/85/95/54/397859554.db2.gz JERWRRLIWICIGU-DLBZAZTESA-N 2 0 284.447 2.997 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@@H]1[NH3+] ZINC000650703201 397859850 /nfs/dbraw/zinc/85/98/50/397859850.db2.gz OXKAZAXRSHGHJJ-GUYCJALGSA-N 2 0 258.409 2.735 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000650705715 397860881 /nfs/dbraw/zinc/86/08/81/397860881.db2.gz STRFFMLKTPQKPJ-USXIJHARSA-N 2 0 292.398 2.544 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705359 397860932 /nfs/dbraw/zinc/86/09/32/397860932.db2.gz FHGXFCISEHMYTQ-BZSNNMDCSA-N 2 0 288.435 2.713 20 0 CFADRP c1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c1)CCC2 ZINC000650704429 397860959 /nfs/dbraw/zinc/86/09/59/397860959.db2.gz YQFWHJJXUGTIGQ-MRXNPFEDSA-N 2 0 270.420 2.940 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1F ZINC000650763472 397887775 /nfs/dbraw/zinc/88/77/75/397887775.db2.gz AMGLGBKGVLKLSF-LBPRGKRZSA-N 2 0 250.361 2.866 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763531 397887779 /nfs/dbraw/zinc/88/77/79/397887779.db2.gz CVQXZPDCXDISGJ-INIZCTEOSA-N 2 0 262.372 2.792 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)n1 ZINC000650763175 397887895 /nfs/dbraw/zinc/88/78/95/397887895.db2.gz TUWJEFPEGRTKPX-ZDUSSCGKSA-N 2 0 261.413 2.739 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)[C@@H]1CC[NH3+] ZINC000650711038 397863556 /nfs/dbraw/zinc/86/35/56/397863556.db2.gz GVRUNWJJTBFYSF-CZUORRHYSA-N 2 0 286.423 2.523 20 0 CFADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650713334 397864600 /nfs/dbraw/zinc/86/46/00/397864600.db2.gz PDRRRNZNCHHFNU-IMJJTQAJSA-N 2 0 258.409 2.897 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712782 397864789 /nfs/dbraw/zinc/86/47/89/397864789.db2.gz UFYHNFNJBVVAQS-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000650712578 397864898 /nfs/dbraw/zinc/86/48/98/397864898.db2.gz KZNWYRKANJTSEI-UHFFFAOYSA-N 2 0 288.313 2.646 20 0 CFADRP CCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1OCC ZINC000650712486 397864933 /nfs/dbraw/zinc/86/49/33/397864933.db2.gz GAXOBLMJXNTBCT-UHFFFAOYSA-N 2 0 292.423 2.703 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2Br)CC1 ZINC000650712441 397865116 /nfs/dbraw/zinc/86/51/16/397865116.db2.gz CTPLTAFMGAUJAH-UHFFFAOYSA-N 2 0 283.213 2.668 20 0 CFADRP C[C@@H](C[NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000650714093 397865846 /nfs/dbraw/zinc/86/58/46/397865846.db2.gz QZKMXMOISOCGRC-LBPRGKRZSA-N 2 0 250.361 2.648 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714082 397866012 /nfs/dbraw/zinc/86/60/12/397866012.db2.gz QMGHSAIXFOLFSB-ZDUSSCGKSA-N 2 0 264.388 2.865 20 0 CFADRP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717533 397867603 /nfs/dbraw/zinc/86/76/03/397867603.db2.gz DKSJPRRYESWWTQ-CQSZACIVSA-N 2 0 250.361 2.953 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650718677 397868422 /nfs/dbraw/zinc/86/84/22/397868422.db2.gz SPLZODMDCZVHBN-UHFFFAOYSA-N 2 0 264.369 2.944 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000650719906 397869083 /nfs/dbraw/zinc/86/90/83/397869083.db2.gz AHEUJXAPAWVVBQ-MAUKXSAKSA-N 3 0 289.467 2.806 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000650764177 397888499 /nfs/dbraw/zinc/88/84/99/397888499.db2.gz RPUBCMXOEANFCJ-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000650764437 397888519 /nfs/dbraw/zinc/88/85/19/397888519.db2.gz YPLOQGLFXQVJDC-ZDUSSCGKSA-N 2 0 274.408 2.757 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1F ZINC000650764086 397888526 /nfs/dbraw/zinc/88/85/26/397888526.db2.gz PXDFONZBCQJCFF-GFCCVEGCSA-N 2 0 280.387 2.875 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc3N2)CC1 ZINC000650721146 397870724 /nfs/dbraw/zinc/87/07/24/397870724.db2.gz SCDNOOZWXSELFV-QGZVFWFLSA-N 2 0 287.451 2.877 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000650722035 397870733 /nfs/dbraw/zinc/87/07/33/397870733.db2.gz JCIZMAIUZYFMNI-IKGGRYGDSA-N 2 0 292.398 2.687 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722835 397871637 /nfs/dbraw/zinc/87/16/37/397871637.db2.gz CCBSCXVWLKYEIX-ZJIFWQFVSA-N 2 0 268.445 2.783 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000650740089 397874576 /nfs/dbraw/zinc/87/45/76/397874576.db2.gz GGZOPCGJQNWLTD-OKZBNKHCSA-N 2 0 295.515 2.865 20 0 CFADRP CC[N@H+](CCCN[C@H](C)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650741666 397875490 /nfs/dbraw/zinc/87/54/90/397875490.db2.gz IYDAELXQBJAOMK-WBVHZDCISA-N 2 0 281.488 2.761 20 0 CFADRP CC[C@H](OCC[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000650741556 397876000 /nfs/dbraw/zinc/87/60/00/397876000.db2.gz GLJYHGREGZEBFN-OAGGEKHMSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)OCCCO2 ZINC000650744882 397878132 /nfs/dbraw/zinc/87/81/32/397878132.db2.gz XMDUDSVNJIRORY-ZDUSSCGKSA-N 2 0 290.407 2.628 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744058 397878224 /nfs/dbraw/zinc/87/82/24/397878224.db2.gz FHQUHVUQPFBLOE-KGLIPLIRSA-N 2 0 276.424 2.906 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H](C)C2 ZINC000650745215 397878638 /nfs/dbraw/zinc/87/86/38/397878638.db2.gz BSGLCKWWLNVIKT-XJKSGUPXSA-N 2 0 258.409 2.947 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745341 397878686 /nfs/dbraw/zinc/87/86/86/397878686.db2.gz DQSOFYPIGIIYBJ-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000650745403 397879015 /nfs/dbraw/zinc/87/90/15/397879015.db2.gz GFWYSSJKTVHJAT-DOTOQJQBSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc(-c2ccccc2)n1C ZINC000650747922 397880283 /nfs/dbraw/zinc/88/02/83/397880283.db2.gz KMEHKPSAOJIXSX-AWEZNQCLSA-N 2 0 298.434 2.867 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)c2ccccc21 ZINC000650747492 397880410 /nfs/dbraw/zinc/88/04/10/397880410.db2.gz BDJCRWDLWPJRDO-FDQGKXFDSA-N 2 0 279.387 2.758 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754686 397883838 /nfs/dbraw/zinc/88/38/38/397883838.db2.gz OOZCXSYUKCWRQL-XJKSGUPXSA-N 2 0 280.387 2.579 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCC1 ZINC000650755634 397884529 /nfs/dbraw/zinc/88/45/29/397884529.db2.gz JRXFKEZKGNKLIN-OAHLLOKOSA-N 2 0 250.361 2.953 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1C[C@H]1C ZINC000650756249 397884627 /nfs/dbraw/zinc/88/46/27/397884627.db2.gz XLDYQXPPYKUIND-YVLXSGLVSA-N 2 0 250.361 2.809 20 0 CFADRP COC1([C@@H](C)[NH2+]CCCC[NH+](C)C)CCCCC1 ZINC000421825081 292134523 /nfs/dbraw/zinc/13/45/23/292134523.db2.gz LPJSZXRZXMDCOW-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)[C@@H](CC)CO1 ZINC000403888105 413182660 /nfs/dbraw/zinc/18/26/60/413182660.db2.gz WARFZFVRRXXXOD-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404278830 413191865 /nfs/dbraw/zinc/19/18/65/413191865.db2.gz OOBICKHTFVDUBZ-SUMWQHHRSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)[C@H]1CC[NH3+] ZINC000404259267 413193331 /nfs/dbraw/zinc/19/33/31/413193331.db2.gz CTYPSUXOEJOYNJ-BBRMVZONSA-N 2 0 274.408 2.571 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404396900 413202986 /nfs/dbraw/zinc/20/29/86/413202986.db2.gz OZGMKOBUZOFYJL-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CC2(SC)CCC2)CC1 ZINC000356187864 155180724 /nfs/dbraw/zinc/18/07/24/155180724.db2.gz MMJMHCZANNZTBM-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCc2ccccc21 ZINC000404901378 413219350 /nfs/dbraw/zinc/21/93/50/413219350.db2.gz QERUHEPPGXYBQG-AWEZNQCLSA-N 2 0 258.409 2.648 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000425432783 286011840 /nfs/dbraw/zinc/01/18/40/286011840.db2.gz LQZZDDYWAJTIDQ-JLJPHGGASA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422919232 286012218 /nfs/dbraw/zinc/01/22/18/286012218.db2.gz JHLWGZUABYXMCH-BZUAXINKSA-N 2 0 280.387 2.763 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466314 413222439 /nfs/dbraw/zinc/22/24/39/413222439.db2.gz QYIFMAVVHTZXFH-TWMKSMIVSA-N 2 0 262.441 2.887 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423489367 286023165 /nfs/dbraw/zinc/02/31/65/286023165.db2.gz WHEMXFWWCBVCPY-OIISXLGYSA-N 2 0 276.424 2.884 20 0 CFADRP c1cc(N2CCC([NH2+]C3CCCCC3)CC2)cc[nH+]1 ZINC000037374106 296604649 /nfs/dbraw/zinc/60/46/49/296604649.db2.gz HKXRPTDYNTVIDN-UHFFFAOYSA-N 2 0 259.397 2.973 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784823 413224209 /nfs/dbraw/zinc/22/42/09/413224209.db2.gz HNQJHIUVONRBQF-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP COC1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663464976 413223989 /nfs/dbraw/zinc/22/39/89/413223989.db2.gz HQCULNVTQMVPDN-KLAILNCOSA-N 2 0 280.456 2.656 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465308 413224153 /nfs/dbraw/zinc/22/41/53/413224153.db2.gz JIAIMYMXJJXGCV-DZGCQCFKSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1csc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656783841 413225699 /nfs/dbraw/zinc/22/56/99/413225699.db2.gz ATUCPCLENGSYJC-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP CCOCCC1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000415091550 286047760 /nfs/dbraw/zinc/04/77/60/286047760.db2.gz QSIQFADDYYHPKZ-HNNXBMFYSA-N 2 0 268.445 2.563 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656787065 413230584 /nfs/dbraw/zinc/23/05/84/413230584.db2.gz ZSWJECJYWBXRKR-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH3+])CCCC2)C1 ZINC000656788855 413233081 /nfs/dbraw/zinc/23/30/81/413233081.db2.gz DXUQPBMVEGMSME-NVXWUHKLSA-N 2 0 287.451 2.683 20 0 CFADRP c1ccc([C@H]2C[NH2+]CCN2CCC[NH+]2CCCCC2)cc1 ZINC000420409343 296619041 /nfs/dbraw/zinc/61/90/41/296619041.db2.gz QMOWRTKIQITXEK-GOSISDBHSA-N 2 0 287.451 2.509 20 0 CFADRP C[C@@H](C[NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1 ZINC000656789632 413235991 /nfs/dbraw/zinc/23/59/91/413235991.db2.gz TYFJFHAPMHTGPA-LBPRGKRZSA-N 2 0 250.361 2.790 20 0 CFADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200492 413236538 /nfs/dbraw/zinc/23/65/38/413236538.db2.gz GFPDSHPFHMQUJP-HOCLYGCPSA-N 2 0 297.487 2.521 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)cc1 ZINC000663497969 413241627 /nfs/dbraw/zinc/24/16/27/413241627.db2.gz JBQSAJGBGSSSMX-CYBMUJFWSA-N 2 0 285.229 2.912 20 0 CFADRP CCC1(C)C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000656799373 413242311 /nfs/dbraw/zinc/24/23/11/413242311.db2.gz ZSMNGRLSAHXTDX-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP CC(C)[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000663499694 413243865 /nfs/dbraw/zinc/24/38/65/413243865.db2.gz FYRQXPZZHYBCKT-WIHSUSGWSA-N 2 0 258.409 2.768 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000663498493 413244504 /nfs/dbraw/zinc/24/45/04/413244504.db2.gz NOQXNZAQRQRBGT-CYBMUJFWSA-N 2 0 298.814 2.574 20 0 CFADRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OC(C)C ZINC000663499424 413245597 /nfs/dbraw/zinc/24/55/97/413245597.db2.gz ZVRXGSVYYSAIEL-OAHLLOKOSA-N 2 0 294.439 2.945 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423159022 286211225 /nfs/dbraw/zinc/21/12/25/286211225.db2.gz DXWVWAWNBJRJNC-QKPAOTATSA-N 2 0 268.445 2.844 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](CCC2CC2)CC2CC2)CC[NH2+]1 ZINC000663502224 413248433 /nfs/dbraw/zinc/24/84/33/413248433.db2.gz FRKMUUDRYREOQK-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422807897 292236249 /nfs/dbraw/zinc/23/62/49/292236249.db2.gz KFKGZASZILBZOJ-OIISXLGYSA-N 2 0 276.424 2.932 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000663502050 413249778 /nfs/dbraw/zinc/24/97/78/413249778.db2.gz DXILUAUSNNAVJQ-IUODEOHRSA-N 2 0 252.377 2.720 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC[NH2+]CC1 ZINC000414974099 292247296 /nfs/dbraw/zinc/24/72/96/292247296.db2.gz LVBUHNYUEXRZAM-HZPDHXFCSA-N 2 0 280.456 2.561 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000453363809 292247787 /nfs/dbraw/zinc/24/77/87/292247787.db2.gz CAKUXFUAPFJJQD-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1(CC)CC ZINC000423538048 286280238 /nfs/dbraw/zinc/28/02/38/286280238.db2.gz LWVSVXVBWVUBAO-HZPDHXFCSA-N 2 0 280.456 2.870 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000422837602 289309756 /nfs/dbraw/zinc/30/97/56/289309756.db2.gz MKOIVBOQJDGSML-IXKJSCDLSA-N 2 0 273.424 2.594 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])C12CCCC2 ZINC000422808328 286291381 /nfs/dbraw/zinc/29/13/81/286291381.db2.gz QCVQCYXZTJSLNR-RBSFLKMASA-N 2 0 268.445 2.831 20 0 CFADRP CC1(C)C[C@]1([NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000663513067 413259087 /nfs/dbraw/zinc/25/90/87/413259087.db2.gz IDCHCVIUMIRUIM-KRWDZBQOSA-N 2 0 258.409 2.901 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000414307616 292265772 /nfs/dbraw/zinc/26/57/72/292265772.db2.gz HIZXAEFFXRPNFG-YWWDTZIBSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414832136 533675959 /nfs/dbraw/zinc/67/59/59/533675959.db2.gz DVQREBLPLSIUSN-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP c1cc2c(cc[nH+]c2N2CC[C@@H]([NH+]3CCCCC3)C2)[nH]1 ZINC000663576143 413274513 /nfs/dbraw/zinc/27/45/13/413274513.db2.gz CGGZWPPSKRSBER-CYBMUJFWSA-N 2 0 270.380 2.628 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356831918 155385351 /nfs/dbraw/zinc/38/53/51/155385351.db2.gz BIWUSZNWSNZESG-JYJNAYRXSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356840488 155389583 /nfs/dbraw/zinc/38/95/83/155389583.db2.gz JGVGFIITDOBCLP-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1 ZINC000423252819 286369299 /nfs/dbraw/zinc/36/92/99/286369299.db2.gz UVBFWWVIHMIEOB-UONOGXRCSA-N 2 0 262.397 2.654 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1cccc(F)c1 ZINC000653299175 413280833 /nfs/dbraw/zinc/28/08/33/413280833.db2.gz DQISKPZZZCRDFL-WFASDCNBSA-N 2 0 250.361 2.570 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2ccccn2)CC1 ZINC000343101989 154113583 /nfs/dbraw/zinc/11/35/83/154113583.db2.gz JXZMIEXYGNBPFZ-UHFFFAOYSA-N 2 0 275.440 2.678 20 0 CFADRP C[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000345697631 154242935 /nfs/dbraw/zinc/24/29/35/154242935.db2.gz XXACBHMYXHMAQL-CYBMUJFWSA-N 2 0 262.372 2.781 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2(SC)CC2)CC1 ZINC000348031867 154292472 /nfs/dbraw/zinc/29/24/72/154292472.db2.gz XSWPFXYHUDCHBS-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1CCCCN1CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348111126 154324322 /nfs/dbraw/zinc/32/43/22/154324322.db2.gz VSDWLPHBRRIOHU-AGIUHOORSA-N 2 0 294.361 2.560 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000348109817 154324509 /nfs/dbraw/zinc/32/45/09/154324509.db2.gz ZPCSAICNUFWWIO-OIISXLGYSA-N 2 0 294.483 2.902 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCCC1 ZINC000422892600 292307595 /nfs/dbraw/zinc/30/75/95/292307595.db2.gz YWGNFEGXLHZJQX-HUUCEWRRSA-N 2 0 268.445 2.690 20 0 CFADRP CC(C)c1nccc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000348180016 154351176 /nfs/dbraw/zinc/35/11/76/154351176.db2.gz NUAALXLEDDNJTO-HNNXBMFYSA-N 2 0 288.439 2.768 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423063502 292307138 /nfs/dbraw/zinc/30/71/38/292307138.db2.gz OUWHURPSUWANQD-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000166014354 286442256 /nfs/dbraw/zinc/44/22/56/286442256.db2.gz RMPYTMSGPVLXBZ-IUOOZAAYSA-N 2 0 270.461 2.758 20 0 CFADRP Cn1nccc1-c1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000352448622 154575291 /nfs/dbraw/zinc/57/52/91/154575291.db2.gz IOVFBSZSEMPPOL-UHFFFAOYSA-N 2 0 298.434 2.519 20 0 CFADRP CCSCC[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000355747072 155074464 /nfs/dbraw/zinc/07/44/64/155074464.db2.gz HDAZJSCBAUTXSJ-UHFFFAOYSA-N 2 0 258.475 2.841 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000355750231 155076761 /nfs/dbraw/zinc/07/67/61/155076761.db2.gz LLUPXGIFSRBANE-CQSZACIVSA-N 2 0 296.842 2.992 20 0 CFADRP CCSCC[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000355771906 155080222 /nfs/dbraw/zinc/08/02/22/155080222.db2.gz HNRRGVJAQGESJB-CQSZACIVSA-N 2 0 258.475 2.697 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC2(CC2)CC1 ZINC000362929484 156118652 /nfs/dbraw/zinc/11/86/52/156118652.db2.gz FEEFMLCGLWYXQD-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP COCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000363569847 156184445 /nfs/dbraw/zinc/18/44/45/156184445.db2.gz WEUUQPOBSXOZQX-CQSZACIVSA-N 2 0 265.401 2.507 20 0 CFADRP CCOC1CC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000367150666 156288032 /nfs/dbraw/zinc/28/80/32/156288032.db2.gz IHKDRBSCAGAMBV-LSCKAKRGSA-N 2 0 292.467 2.750 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CSCCc4ccccc43)C[C@@H]2C1 ZINC000367327574 156316064 /nfs/dbraw/zinc/31/60/64/156316064.db2.gz RRRYIGXONPPMSU-UXLLHSPISA-N 2 0 288.460 2.510 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367365726 156320409 /nfs/dbraw/zinc/32/04/09/156320409.db2.gz RFXCFVZVLFYOHN-GVDBMIGSSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)C(C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000367398445 156325657 /nfs/dbraw/zinc/32/56/57/156325657.db2.gz HHHCMEKVSNRZHR-INIZCTEOSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000367552225 156348140 /nfs/dbraw/zinc/34/81/40/156348140.db2.gz MWVKWDWGQOTXEM-RCCFBDPRSA-N 3 0 295.515 2.958 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000367598335 156357133 /nfs/dbraw/zinc/35/71/33/156357133.db2.gz QJTJPVBDIGUWAS-KZNAEPCWSA-N 2 0 287.451 2.785 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@H]2CCC[C@H]21 ZINC000367598826 156357290 /nfs/dbraw/zinc/35/72/90/156357290.db2.gz GNCBHDQATXBRFQ-IXDOHACOSA-N 2 0 294.483 2.782 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@H]2CCC[C@@H]21 ZINC000367607128 156359338 /nfs/dbraw/zinc/35/93/38/156359338.db2.gz MNYRXOIDYRCHFL-COXVUDFISA-N 2 0 294.389 2.970 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3n[nH]cc32)c1 ZINC000367614010 156361890 /nfs/dbraw/zinc/36/18/90/156361890.db2.gz GYBLAUCTNFWQES-INIZCTEOSA-N 2 0 284.407 2.639 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613973 156362914 /nfs/dbraw/zinc/36/29/14/156362914.db2.gz GVEWOFHMVQILEO-RCCFBDPRSA-N 2 0 288.435 2.795 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1C ZINC000367615737 156363915 /nfs/dbraw/zinc/36/39/15/156363915.db2.gz MAWBXFLWBWLNIP-ZACQAIPSSA-N 2 0 288.435 2.966 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CCCn2ccnc2)CCO1 ZINC000367752467 156386624 /nfs/dbraw/zinc/38/66/24/156386624.db2.gz GZBUFWMYLMAIEC-KRWDZBQOSA-N 2 0 285.391 2.655 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653497767 413331911 /nfs/dbraw/zinc/33/19/11/413331911.db2.gz WUSSHDHQJXSAHK-UHFFFAOYSA-N 2 0 287.407 2.644 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000159190098 292349988 /nfs/dbraw/zinc/34/99/88/292349988.db2.gz WONHHKNJGPAQSW-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000373520456 157002038 /nfs/dbraw/zinc/00/20/38/157002038.db2.gz ICRIVUKYFSCZHJ-BACDZXNISA-N 2 0 292.467 2.941 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373521156 157002363 /nfs/dbraw/zinc/00/23/63/157002363.db2.gz KGKMXQLKJXKZJY-QDIHITRGSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373525162 157003674 /nfs/dbraw/zinc/00/36/74/157003674.db2.gz XWJNXGPKBPKSJL-NFOMZHRRSA-N 2 0 296.455 2.713 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccco1)CC2)C1CC1 ZINC000374282106 157092409 /nfs/dbraw/zinc/09/24/09/157092409.db2.gz FESWWPLETNHDOH-CQSZACIVSA-N 2 0 274.408 2.976 20 0 CFADRP CCCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374313305 157098095 /nfs/dbraw/zinc/09/80/95/157098095.db2.gz UEVQMNKSUXDCLX-AWEZNQCLSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)[NH2+]CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375447509 157243586 /nfs/dbraw/zinc/24/35/86/157243586.db2.gz IBUCTORKEXOIDV-QZTJIDSGSA-N 2 0 289.467 2.657 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375782648 157284862 /nfs/dbraw/zinc/28/48/62/157284862.db2.gz MPIIEGZXLSREFM-ZACQAIPSSA-N 2 0 288.435 2.700 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375852658 157295870 /nfs/dbraw/zinc/29/58/70/157295870.db2.gz OEGNUKCIENBHEC-RRFJBIMHSA-N 2 0 270.486 2.838 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000375898050 157303006 /nfs/dbraw/zinc/30/30/06/157303006.db2.gz OCQUICDCPBYZEP-CWRNSKLLSA-N 2 0 262.372 2.788 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@@H]2CCC[C@H]21 ZINC000375895501 157303365 /nfs/dbraw/zinc/30/33/65/157303365.db2.gz NHWNSVUODWLUCJ-YTQUADARSA-N 2 0 299.462 2.923 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](CCOC3CCC3)CC2)CC1 ZINC000376512687 157366579 /nfs/dbraw/zinc/36/65/79/157366579.db2.gz SEGOSEBRGFLRRJ-UHFFFAOYSA-N 2 0 294.483 2.999 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376515210 157366810 /nfs/dbraw/zinc/36/68/10/157366810.db2.gz ONWRAQXGGXYHQJ-PSBWJHGTSA-N 2 0 282.431 2.742 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000335499252 292367597 /nfs/dbraw/zinc/36/75/97/292367597.db2.gz CDVNLQPXBAFCKH-MRXNPFEDSA-N 2 0 272.392 2.718 20 0 CFADRP CSCC1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000423277877 286661637 /nfs/dbraw/zinc/66/16/37/286661637.db2.gz QIENNMCLSMGBEZ-WLYUNCDWSA-N 2 0 270.486 2.888 20 0 CFADRP CCC[C@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)C1CCC1 ZINC000651252618 413378512 /nfs/dbraw/zinc/37/85/12/413378512.db2.gz QVAZGZNEHIMKEV-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP CCCCOCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657285544 413394819 /nfs/dbraw/zinc/39/48/19/413394819.db2.gz IRSMVRFPDQCGFA-UHFFFAOYSA-N 2 0 288.395 2.564 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417872975 288476839 /nfs/dbraw/zinc/47/68/39/288476839.db2.gz NVNNGBCCJJDLJK-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124624310 286804138 /nfs/dbraw/zinc/80/41/38/286804138.db2.gz OLFDDSYBOSLWTQ-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000657307255 413427288 /nfs/dbraw/zinc/42/72/88/413427288.db2.gz DSRDAEGNPVMJIO-ROUUACIJSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000422780175 298399760 /nfs/dbraw/zinc/39/97/60/298399760.db2.gz JBJXQZPNVZQCTM-WQVCFCJDSA-N 2 0 280.387 2.763 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000423451808 298399946 /nfs/dbraw/zinc/39/99/46/298399946.db2.gz IZCGRUUTTSAMEC-VXGBXAGGSA-N 2 0 267.392 2.670 20 0 CFADRP CCCN(CC[NH+]1CCCC1)c1[nH+]ccc2[nH]ccc21 ZINC000663904613 413429951 /nfs/dbraw/zinc/42/99/51/413429951.db2.gz DFBJXBGOGVYXNG-UHFFFAOYSA-N 2 0 272.396 2.875 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CO1 ZINC000657311316 413433221 /nfs/dbraw/zinc/43/32/21/413433221.db2.gz JESSVMPWWPWADA-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP CCCn1nccc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000657311878 413432667 /nfs/dbraw/zinc/43/26/67/413432667.db2.gz YDZWBNPZXLSQJO-INIZCTEOSA-N 2 0 292.471 2.895 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2([C@@H](C)CCO)CCC2)CC1 ZINC000344333688 162015403 /nfs/dbraw/zinc/01/54/03/162015403.db2.gz RLVBXBVRUKGWNS-HNNXBMFYSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccccc2)C1 ZINC000660624038 413439189 /nfs/dbraw/zinc/43/91/89/413439189.db2.gz UVKJUPWVZZMUHM-MSOLQXFVSA-N 2 0 290.451 2.567 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H](C)[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000345154238 162189195 /nfs/dbraw/zinc/18/91/95/162189195.db2.gz IAXCTMHDADZXMH-QZWWFDLISA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H](C[NH2+]CCCC[NH+](C)C)c1ccc(F)cc1 ZINC000345395036 162241709 /nfs/dbraw/zinc/24/17/09/162241709.db2.gz TUXNWPXDIDZBNE-CYBMUJFWSA-N 2 0 252.377 2.861 20 0 CFADRP [NH3+][C@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000346086825 162316132 /nfs/dbraw/zinc/31/61/32/162316132.db2.gz UVBVJSURJHSAGC-LBPRGKRZSA-N 2 0 288.313 2.551 20 0 CFADRP CC[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346133385 162325862 /nfs/dbraw/zinc/32/58/62/162325862.db2.gz MPHUFZUDKFMANC-OAHLLOKOSA-N 2 0 270.380 2.950 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCOC ZINC000347407132 162682052 /nfs/dbraw/zinc/68/20/52/162682052.db2.gz DGZNXBJBLBYASO-JYJNAYRXSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H](C[NH+](C)C)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000348296981 298508226 /nfs/dbraw/zinc/50/82/26/298508226.db2.gz YXLICGUKQLWHDW-BFYDXBDKSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000349660075 163000249 /nfs/dbraw/zinc/00/02/49/163000249.db2.gz AWTAMAVXMSPMSU-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000349695835 163004799 /nfs/dbraw/zinc/00/47/99/163004799.db2.gz SMXSBYCBIRKEGG-MRVWCRGKSA-N 2 0 279.453 2.771 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000350017953 163051908 /nfs/dbraw/zinc/05/19/08/163051908.db2.gz UGWNQIONWUHVIW-DOTOQJQBSA-N 2 0 282.472 2.713 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1F ZINC000350145020 163062648 /nfs/dbraw/zinc/06/26/48/163062648.db2.gz GSGWRPFVNVHJOR-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC000660642701 413455440 /nfs/dbraw/zinc/45/54/40/413455440.db2.gz UKRKOUOUWVXPPR-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1coc2ccccc12 ZINC000350259594 163070590 /nfs/dbraw/zinc/07/05/90/163070590.db2.gz CZNYQSDXJXHFMH-UHFFFAOYSA-N 2 0 290.407 2.881 20 0 CFADRP Cn1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000350323898 163072347 /nfs/dbraw/zinc/07/23/47/163072347.db2.gz WQUOCVZMGDOTKR-UHFFFAOYSA-N 2 0 298.434 2.769 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000350356943 163074107 /nfs/dbraw/zinc/07/41/07/163074107.db2.gz OJLHNLXTEXCOSF-UHFFFAOYSA-N 2 0 278.440 2.751 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)CN(C)C1CC1 ZINC000351445518 163129633 /nfs/dbraw/zinc/12/96/33/163129633.db2.gz QOVICUPZIKLUCU-ZWKOTPCHSA-N 2 0 290.451 2.915 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000351414421 163129689 /nfs/dbraw/zinc/12/96/89/163129689.db2.gz NFOIIRQAVHWZOO-DLBZAZTESA-N 2 0 281.488 2.525 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1SC ZINC000351493087 163133556 /nfs/dbraw/zinc/13/35/56/163133556.db2.gz LTLRVDCNPNTQKF-MELADBBJSA-N 2 0 292.448 2.586 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000351500155 163134971 /nfs/dbraw/zinc/13/49/71/163134971.db2.gz WSQCFFDOSIKSRN-IBEHDNSVSA-N 2 0 250.430 2.872 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CCC2)C[C@H]1CCC[NH+](C)C1 ZINC000351567838 163149310 /nfs/dbraw/zinc/14/93/10/163149310.db2.gz KLPQHDBGVTWMJP-INIZCTEOSA-N 2 0 272.436 2.949 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(Cc2conc2Cc2ccccc2)C1 ZINC000351604808 163155324 /nfs/dbraw/zinc/15/53/24/163155324.db2.gz WWQQBYFOOKTWPZ-INIZCTEOSA-N 2 0 299.418 2.649 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000352694446 163225446 /nfs/dbraw/zinc/22/54/46/163225446.db2.gz PVZKLNGQNVYMPK-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP C[NH+](C)CCCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352767722 163230040 /nfs/dbraw/zinc/23/00/40/163230040.db2.gz CSSXJWLYMFHWIX-WAYWQWQTSA-N 2 0 268.351 2.909 20 0 CFADRP CSC1(C[NH2+]Cc2sc(C)nc2C)CC[NH+](C)CC1 ZINC000353223795 163320114 /nfs/dbraw/zinc/32/01/14/163320114.db2.gz UJXUXQMEANKLET-UHFFFAOYSA-N 2 0 299.509 2.677 20 0 CFADRP C[NH+]1C[C@H]2C[NH+](Cc3ccc(C4CCC4)cc3)C[C@@H]2C1 ZINC000353237367 163323533 /nfs/dbraw/zinc/32/35/33/163323533.db2.gz VLPPFEZTOLTBEU-ROUUACIJSA-N 2 0 270.420 2.948 20 0 CFADRP COc1ccnc(N2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000353286318 163336650 /nfs/dbraw/zinc/33/66/50/163336650.db2.gz KZLHGBAQYISZTG-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353317352 163344182 /nfs/dbraw/zinc/34/41/82/163344182.db2.gz WLOHCABCLIPQNC-ZDUSSCGKSA-N 2 0 292.414 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000353317310 163344975 /nfs/dbraw/zinc/34/49/75/163344975.db2.gz VZHHGQANVSHJOZ-LTIDMASMSA-N 2 0 280.456 2.513 20 0 CFADRP CCOC(=O)[C@@H]1CCCCN1CCCc1ccc(C)nc1 ZINC000353360284 163352599 /nfs/dbraw/zinc/35/25/99/163352599.db2.gz YFEWIGOOMGCERD-INIZCTEOSA-N 2 0 290.407 2.740 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C)on2)CC1 ZINC000353430922 163363515 /nfs/dbraw/zinc/36/35/15/163363515.db2.gz XFDVBRFQKYXPOV-CYBMUJFWSA-N 2 0 265.401 2.756 20 0 CFADRP Cc1ccn2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)nc2c1 ZINC000353514451 163383227 /nfs/dbraw/zinc/38/32/27/163383227.db2.gz GWCALZUTIXHXEX-GVDBMIGSSA-N 2 0 298.434 2.605 20 0 CFADRP Cc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1C ZINC000353542844 163391333 /nfs/dbraw/zinc/39/13/33/163391333.db2.gz MLDWBFQTZRWYSD-UHFFFAOYSA-N 2 0 290.451 2.846 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC[NH+](C)CC1 ZINC000353624446 163410658 /nfs/dbraw/zinc/41/06/58/163410658.db2.gz QSICZASBZNCHRL-UONOGXRCSA-N 2 0 268.470 2.592 20 0 CFADRP CCc1nn(C)c(CC)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353630352 163413761 /nfs/dbraw/zinc/41/37/61/163413761.db2.gz HVKNKYGQGALDAB-UHFFFAOYSA-N 2 0 292.471 2.507 20 0 CFADRP COC[C@@H](C)Oc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000657334771 413458241 /nfs/dbraw/zinc/45/82/41/413458241.db2.gz GUWFPLCUSKPDCR-HUUCEWRRSA-N 2 0 294.439 2.530 20 0 CFADRP CSC1(C[NH2+][C@H](C)CCC2CC2)CC[NH+](C)CC1 ZINC000353659041 163420364 /nfs/dbraw/zinc/42/03/64/163420364.db2.gz LYSSVQMXRYAIFB-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP COc1ccc2nc(C[NH2+]CCCC[NH+](C)C)sc2c1 ZINC000353773911 163449276 /nfs/dbraw/zinc/44/92/76/163449276.db2.gz GJFGQPARNAXCII-UHFFFAOYSA-N 2 0 293.436 2.736 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CC=CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657333060 413459356 /nfs/dbraw/zinc/45/93/56/413459356.db2.gz UTVBWTYCYRXPOY-CQSZACIVSA-N 2 0 268.364 2.713 20 0 CFADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422753639 533678162 /nfs/dbraw/zinc/67/81/62/533678162.db2.gz GEAYNMUSZSJSBN-QQFBHYJXSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](CCC2CCCCC2)CC1 ZINC000653727663 413468333 /nfs/dbraw/zinc/46/83/33/413468333.db2.gz QAVLBEICYBCEKV-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCCCC1 ZINC000346598351 287035638 /nfs/dbraw/zinc/03/56/38/287035638.db2.gz JBQFPGBESHLUTP-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000423118429 287037732 /nfs/dbraw/zinc/03/77/32/287037732.db2.gz AOAKNXWATTXSJQ-FDYHWXHSSA-N 2 0 278.362 2.943 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000651430876 413469899 /nfs/dbraw/zinc/46/98/99/413469899.db2.gz FVAVJWDQMJXQAA-UXLLHSPISA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000651430877 413470522 /nfs/dbraw/zinc/47/05/22/413470522.db2.gz FVAVJWDQMJXQAA-VYDXJSESSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000451156305 287072458 /nfs/dbraw/zinc/07/24/58/287072458.db2.gz SMHCKJIOPGDZNW-GAGVYUBLSA-N 2 0 280.456 2.795 20 0 CFADRP CCC[NH+]1CCC(NCC2([NH+](C)C)CCCCC2)CC1 ZINC000020094524 170993882 /nfs/dbraw/zinc/99/38/82/170993882.db2.gz VBGUCSCGYPJZKY-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP C[NH+]1CCN(CCC[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000020128328 171014779 /nfs/dbraw/zinc/01/47/79/171014779.db2.gz GTNXXFMXEYEOFO-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP COCc1csc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1 ZINC000657346831 413476052 /nfs/dbraw/zinc/47/60/52/413476052.db2.gz JERKOGZZOOFTIU-GFCCVEGCSA-N 2 0 293.436 2.825 20 0 CFADRP Cc1cnc(CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660660618 413477837 /nfs/dbraw/zinc/47/78/37/413477837.db2.gz ACOCXQGXIMULTM-SFHVURJKSA-N 2 0 287.451 2.659 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657348689 413481926 /nfs/dbraw/zinc/48/19/26/413481926.db2.gz DVQKDFDVHORAOM-UHFFFAOYSA-N 2 0 272.314 2.535 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CCOCc1ccccc1)C2 ZINC000660665742 413482974 /nfs/dbraw/zinc/48/29/74/413482974.db2.gz XPPXKBRECSIYAA-GOSISDBHSA-N 2 0 288.435 2.621 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CO1 ZINC000657357973 413489994 /nfs/dbraw/zinc/48/99/94/413489994.db2.gz SCIOZQDSRKSDCN-HYVNUMGLSA-N 2 0 276.424 2.664 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2nc(C)c[nH]2)C1 ZINC000657357677 413490780 /nfs/dbraw/zinc/49/07/80/413490780.db2.gz OYVHCODEFNAITO-CQSZACIVSA-N 2 0 278.444 2.708 20 0 CFADRP C[C@H]([NH2+]CCC1CC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000651484502 413497871 /nfs/dbraw/zinc/49/78/71/413497871.db2.gz VXOHSOMNSUQSLP-NSHDSACASA-N 2 0 260.372 2.742 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CO1 ZINC000657363505 413501554 /nfs/dbraw/zinc/50/15/54/413501554.db2.gz POCDIVLWVYVPQW-HUUCEWRRSA-N 2 0 280.387 2.544 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000660696999 413505742 /nfs/dbraw/zinc/50/57/42/413505742.db2.gz RZPUUNBQGOYUNA-DLBZAZTESA-N 2 0 296.499 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(COC)cs2)[C@@H](C)C1 ZINC000657377319 413521185 /nfs/dbraw/zinc/52/11/85/413521185.db2.gz BZYAJXSIJIUEIX-WFASDCNBSA-N 2 0 282.453 2.714 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](OC2CCC2)C1 ZINC000653814623 413522749 /nfs/dbraw/zinc/52/27/49/413522749.db2.gz QEMJQLOLUXOWQP-RDJZCZTQSA-N 2 0 280.456 2.894 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000657377115 413523557 /nfs/dbraw/zinc/52/35/57/413523557.db2.gz YQDMQTXBNUTNSR-HOCLYGCPSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1[nH]nc2ccccc21)C1CC1 ZINC000651600476 413524165 /nfs/dbraw/zinc/52/41/65/413524165.db2.gz BMOBDDWPDZQEGF-UHFFFAOYSA-N 2 0 272.396 2.527 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651614447 413525952 /nfs/dbraw/zinc/52/59/52/413525952.db2.gz KMOBQMCXHJAXAQ-UHFFFAOYSA-N 2 0 272.436 2.949 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CO1 ZINC000657391042 413542405 /nfs/dbraw/zinc/54/24/05/413542405.db2.gz MUMWZTWHQHDWHH-DLBZAZTESA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000651669224 413556027 /nfs/dbraw/zinc/55/60/27/413556027.db2.gz LHBHWECNNFWHBL-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP FC1(F)CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657399788 413559000 /nfs/dbraw/zinc/55/90/00/413559000.db2.gz XBNWBJWOTYFONY-NSHDSACASA-N 2 0 278.306 2.545 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651679318 413564401 /nfs/dbraw/zinc/56/44/01/413564401.db2.gz XCEPZMXTCFOULQ-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651709468 413581030 /nfs/dbraw/zinc/58/10/30/413581030.db2.gz XQUBXSHVTSGPLT-CQSZACIVSA-N 2 0 258.409 2.607 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651709088 413582266 /nfs/dbraw/zinc/58/22/66/413582266.db2.gz KHIJVGMZLVQKLB-NUJGCVRESA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705958 413583093 /nfs/dbraw/zinc/58/30/93/413583093.db2.gz NVDSXQAMTOJURR-AEFFLSMTSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651709089 413583351 /nfs/dbraw/zinc/58/33/51/413583351.db2.gz KHIJVGMZLVQKLB-RYRKJORJSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248739941 287269102 /nfs/dbraw/zinc/26/91/02/287269102.db2.gz PYLAKOOUPREYBA-WCXIOVBPSA-N 2 0 292.467 2.798 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CCCSC2)n(-c2cc[nH+]cc2)n1 ZINC000657467436 413642611 /nfs/dbraw/zinc/64/26/11/413642611.db2.gz MAZPPMDKQOMCGC-CYBMUJFWSA-N 2 0 288.420 2.500 20 0 CFADRP FC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657467885 413647835 /nfs/dbraw/zinc/64/78/35/413647835.db2.gz ZEKHVLMDCLUOMY-UHFFFAOYSA-N 2 0 274.343 2.639 20 0 CFADRP C[C@H](C[NH2+]Cc1cc2ccncc2s1)C[NH+](C)C ZINC000657471916 413650859 /nfs/dbraw/zinc/65/08/59/413650859.db2.gz JTDUTIZKMGNIDK-LLVKDONJSA-N 2 0 263.410 2.584 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]C[C@@H](C)C[NH+](C)C)cc21 ZINC000657471647 413652542 /nfs/dbraw/zinc/65/25/42/413652542.db2.gz BSRUJTOUJQJJCW-GFCCVEGCSA-N 2 0 259.397 2.764 20 0 CFADRP CCCn1nccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657474560 413654243 /nfs/dbraw/zinc/65/42/43/413654243.db2.gz NMIYEDNCXYDQAX-UHFFFAOYSA-N 2 0 278.444 2.649 20 0 CFADRP FC1(F)CC(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657486806 413671461 /nfs/dbraw/zinc/67/14/61/413671461.db2.gz BNOVIYCPWNHAGQ-UHFFFAOYSA-N 2 0 292.333 2.792 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@]1(C)CC ZINC000651753598 413613472 /nfs/dbraw/zinc/61/34/72/413613472.db2.gz YBCCWTDKSYMZEQ-PMPSAXMXSA-N 2 0 270.461 2.902 20 0 CFADRP c1cc(C[NH2+][C@H]2CC23CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000657448599 413621332 /nfs/dbraw/zinc/62/13/32/413621332.db2.gz MGQGWEMUQCCZRX-HNNXBMFYSA-N 2 0 268.364 2.690 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000651865637 413686649 /nfs/dbraw/zinc/68/66/49/413686649.db2.gz BKCHDYFSPVFDIF-UHFFFAOYSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000657523387 413704598 /nfs/dbraw/zinc/70/45/98/413704598.db2.gz HNRXVLSUOZKOAG-AWEZNQCLSA-N 2 0 250.361 2.788 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H](C)Cn1cccn1)C1CCCCC1 ZINC000651910124 413709086 /nfs/dbraw/zinc/70/90/86/413709086.db2.gz HSTIGTCIHJPJKV-MRXNPFEDSA-N 2 0 292.471 2.906 20 0 CFADRP CC[C@@H](C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535938 413720780 /nfs/dbraw/zinc/72/07/80/413720780.db2.gz UDKDUPLPTBQKJQ-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP FCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000285470078 196294887 /nfs/dbraw/zinc/29/48/87/196294887.db2.gz ZJSDLCJRHAXWGK-CALCHBBNSA-N 2 0 276.399 2.800 20 0 CFADRP CC1(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)COC1 ZINC000285471583 196295391 /nfs/dbraw/zinc/29/53/91/196295391.db2.gz NVHLFGOYGYZUNN-UHFFFAOYSA-N 2 0 288.435 2.799 20 0 CFADRP c1cc(C[NH+]2CCC(C[NH2+]C3CCCC3)CC2)ccn1 ZINC000657612721 413792566 /nfs/dbraw/zinc/79/25/66/413792566.db2.gz PVEUHDOQBMXIGA-UHFFFAOYSA-N 2 0 273.424 2.826 20 0 CFADRP CC[C@H](C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657586816 413770836 /nfs/dbraw/zinc/77/08/36/413770836.db2.gz MGADVBCFKKKBFF-ZDUSSCGKSA-N 2 0 258.369 2.793 20 0 CFADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCCCC3)cc2)C1 ZINC000657595354 413776544 /nfs/dbraw/zinc/77/65/44/413776544.db2.gz PXXVVNIBUZCDIO-GOSISDBHSA-N 2 0 288.435 2.676 20 0 CFADRP c1ccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccnc2c1 ZINC000657590397 413779799 /nfs/dbraw/zinc/77/97/99/413779799.db2.gz VSXIXROZOLZJIW-IRXDYDNUSA-N 2 0 295.430 2.994 20 0 CFADRP C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000652246749 413847315 /nfs/dbraw/zinc/84/73/15/413847315.db2.gz YIHYAOVBUHECDW-CXAGYDPISA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000657678475 413848324 /nfs/dbraw/zinc/84/83/24/413848324.db2.gz QZWMWAOWMLVNHS-OWCLPIDISA-N 2 0 291.483 2.608 20 0 CFADRP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000664654722 413886702 /nfs/dbraw/zinc/88/67/02/413886702.db2.gz VSKRCFMBJRZMAY-HNNXBMFYSA-N 2 0 299.418 2.782 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccccn1 ZINC000652341552 413894686 /nfs/dbraw/zinc/89/46/86/413894686.db2.gz ZBMMJTXZIGPXFJ-CYBMUJFWSA-N 2 0 267.376 2.578 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351647 413899218 /nfs/dbraw/zinc/89/92/18/413899218.db2.gz NMTJUFDWXBZDQQ-TWMKSMIVSA-N 2 0 280.456 2.643 20 0 CFADRP COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000652358519 413908204 /nfs/dbraw/zinc/90/82/04/413908204.db2.gz OOPZCPWAHNDHQZ-IAGOWNOFSA-N 2 0 288.435 2.702 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657874320 414020435 /nfs/dbraw/zinc/02/04/35/414020435.db2.gz ZNVRYNMWWWIAMM-ILXRZTDVSA-N 2 0 250.430 2.743 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657817184 413964672 /nfs/dbraw/zinc/96/46/72/413964672.db2.gz PZNYIVCQOVGCQB-LLVKDONJSA-N 2 0 250.377 2.988 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657817390 413966722 /nfs/dbraw/zinc/96/67/22/413966722.db2.gz RSRCBDCKZWRUHP-CABCVRRESA-N 2 0 278.444 2.818 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657903889 414043396 /nfs/dbraw/zinc/04/33/96/414043396.db2.gz YXNNSKLUUPNYIT-XUWVNRHRSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc(C)c1O ZINC000037408297 173184341 /nfs/dbraw/zinc/18/43/41/173184341.db2.gz UNADVQOTDXXRAW-CQSZACIVSA-N 2 0 274.408 2.583 20 0 CFADRP CCC[N@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC000037539201 173260065 /nfs/dbraw/zinc/26/00/65/173260065.db2.gz UYZLZKKRVAKEGW-UHFFFAOYSA-N 2 0 280.387 2.798 20 0 CFADRP C[C@H]([NH2+]CCc1noc2ccccc21)C1CC[NH+](C)CC1 ZINC000658065403 414150062 /nfs/dbraw/zinc/15/00/62/414150062.db2.gz AVCOHWZYRVQLAG-ZDUSSCGKSA-N 2 0 287.407 2.690 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccco1 ZINC000658070025 414154543 /nfs/dbraw/zinc/15/45/43/414154543.db2.gz SRMXGZBTZLDZTR-CQSZACIVSA-N 2 0 292.423 2.821 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc2cnccc2o1 ZINC000658019178 414106133 /nfs/dbraw/zinc/10/61/33/414106133.db2.gz KCMJYMSDTMRADE-PWSUYJOCSA-N 2 0 282.347 2.759 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCSCC3)ccc12 ZINC000658035474 414122750 /nfs/dbraw/zinc/12/27/50/414122750.db2.gz NJRVXSHTOGFMBO-CYBMUJFWSA-N 2 0 261.394 2.710 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C(C)C)cc1 ZINC000665278089 414239405 /nfs/dbraw/zinc/23/94/05/414239405.db2.gz UWYIEQVQSCMLET-ADKAHSJRSA-N 2 0 272.436 2.904 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000665265572 414220855 /nfs/dbraw/zinc/22/08/55/414220855.db2.gz YMZWEWAQVIFROZ-YOEHRIQHSA-N 2 0 285.435 2.828 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)O1 ZINC000665265044 414221121 /nfs/dbraw/zinc/22/11/21/414221121.db2.gz OHFODUSGDHYZIJ-MPTQWLOMSA-N 2 0 260.381 2.678 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000665265124 414221547 /nfs/dbraw/zinc/22/15/47/414221547.db2.gz PYBNNMXEBPEDLG-HUUCEWRRSA-N 2 0 271.408 2.580 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263732 414222461 /nfs/dbraw/zinc/22/24/61/414222461.db2.gz SWLBVPQKTLGHKG-XLAORIBOSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266886 414226065 /nfs/dbraw/zinc/22/60/65/414226065.db2.gz LHUJQXJZZCVNTN-QEJZJMRPSA-N 2 0 282.378 2.970 20 0 CFADRP CC[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000665268047 414227969 /nfs/dbraw/zinc/22/79/69/414227969.db2.gz GOZYEZYZTGICBL-UAGQMJEPSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274232 414231818 /nfs/dbraw/zinc/23/18/18/414231818.db2.gz MBQJXHXWZQFBLU-ZIHBUVQPSA-N 2 0 272.383 2.932 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C1CCCC1 ZINC000665275608 414236146 /nfs/dbraw/zinc/23/61/46/414236146.db2.gz NSWDVHLZBNHQDV-SJCJKPOMSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236969 414190845 /nfs/dbraw/zinc/19/08/45/414190845.db2.gz XLXZODWEXWKGBY-OWCLPIDISA-N 2 0 281.488 2.760 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000665234429 414191449 /nfs/dbraw/zinc/19/14/49/414191449.db2.gz CQGUWRPXTFCLDG-LALPHHSUSA-N 2 0 252.377 2.862 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000665231986 414191464 /nfs/dbraw/zinc/19/14/64/414191464.db2.gz CNNLTSULGISKRG-UKRRQHHQSA-N 2 0 273.380 2.620 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000665236966 414192204 /nfs/dbraw/zinc/19/22/04/414192204.db2.gz XLORFYIZEWJXJQ-VBNZEHGJSA-N 2 0 273.424 2.594 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)noc2c1 ZINC000665232160 414192453 /nfs/dbraw/zinc/19/24/53/414192453.db2.gz HGVPMLQBLMMPGM-NUEKZKHPSA-N 2 0 299.418 2.881 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000665231985 414192465 /nfs/dbraw/zinc/19/24/65/414192465.db2.gz CNNLTSULGISKRG-HIFRSBDPSA-N 2 0 273.380 2.620 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665236769 414192515 /nfs/dbraw/zinc/19/25/15/414192515.db2.gz TYTXGZQKWHIBFH-IUODEOHRSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc2ccccc2n1 ZINC000665277463 414238716 /nfs/dbraw/zinc/23/87/16/414238716.db2.gz BZWKISIMSSCLKS-POZPTJLLSA-N 2 0 267.376 2.637 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000665244635 414199845 /nfs/dbraw/zinc/19/98/45/414199845.db2.gz SCTBOFVMIYYFAL-STQMWFEESA-N 2 0 278.371 2.726 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000665244633 414199984 /nfs/dbraw/zinc/19/99/84/414199984.db2.gz SCTBOFVMIYYFAL-OLZOCXBDSA-N 2 0 278.371 2.726 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665245265 414205687 /nfs/dbraw/zinc/20/56/87/414205687.db2.gz CXSPHJXBDDBAIA-FGTMMUONSA-N 2 0 288.435 2.550 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000665245257 414205705 /nfs/dbraw/zinc/20/57/05/414205705.db2.gz CTCMOAFXFQDUSO-FGTMMUONSA-N 2 0 272.436 2.824 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000658109027 414211491 /nfs/dbraw/zinc/21/14/91/414211491.db2.gz RECGAPGDCNUAAW-CQSZACIVSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277649 414239165 /nfs/dbraw/zinc/23/91/65/414239165.db2.gz HJZUMHLGWZZADW-XSGCYMIOSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)(F)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665262218 414219135 /nfs/dbraw/zinc/21/91/35/414219135.db2.gz WHPMRRZNQHWIEP-PBHICJAKSA-N 2 0 292.398 2.970 20 0 CFADRP c1ccc([C@H]2CC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279346 414240270 /nfs/dbraw/zinc/24/02/70/414240270.db2.gz APNTUIDXRUHGBR-DBGUYSSFSA-N 2 0 256.393 2.664 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cnn1C(C)C ZINC000665281503 414242363 /nfs/dbraw/zinc/24/23/63/414242363.db2.gz FJUUWAVFBGNHFB-IUODEOHRSA-N 2 0 266.433 2.796 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000665280945 414242584 /nfs/dbraw/zinc/24/25/84/414242584.db2.gz PWJLJQVKNHRINE-CABCVRRESA-N 2 0 250.361 2.776 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cnn1C(C)(C)C ZINC000665281388 414242596 /nfs/dbraw/zinc/24/25/96/414242596.db2.gz ATUXNGNQWFDTSY-IUODEOHRSA-N 2 0 280.460 2.971 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665280327 414243136 /nfs/dbraw/zinc/24/31/36/414243136.db2.gz YSECDTZKLNDFAH-GDBMZVCRSA-N 2 0 291.439 2.675 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCc2ccccc2CC1 ZINC000665282331 414247461 /nfs/dbraw/zinc/24/74/61/414247461.db2.gz VXHHSADAJPYHKZ-QGZVFWFLSA-N 2 0 260.425 2.897 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000665281656 414248068 /nfs/dbraw/zinc/24/80/68/414248068.db2.gz JHYYTOOKRPQFCH-CABCVRRESA-N 2 0 262.397 2.733 20 0 CFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CC2 ZINC000665282482 414249833 /nfs/dbraw/zinc/24/98/33/414249833.db2.gz ZCPGELHVPNTISE-CABCVRRESA-N 2 0 292.423 2.654 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000658167458 414256511 /nfs/dbraw/zinc/25/65/11/414256511.db2.gz YCBLOVDMZFXCKT-RKVPGOIHSA-N 2 0 287.451 2.928 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658170940 414263801 /nfs/dbraw/zinc/26/38/01/414263801.db2.gz UTSGVWLCOJQNLL-ZMSDIMECSA-N 2 0 276.424 2.522 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H](C)C1 ZINC000658186918 414270564 /nfs/dbraw/zinc/27/05/64/414270564.db2.gz ULBNBXSPSMGVEK-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299273 414272446 /nfs/dbraw/zinc/27/24/46/414272446.db2.gz JTFJQWYIWCUQIN-GXFFZTMASA-N 2 0 287.329 2.578 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC(F)(F)F ZINC000665301140 414274725 /nfs/dbraw/zinc/27/47/25/414274725.db2.gz PCRMUWLSFVHHEK-NXEZZACHSA-N 2 0 252.324 2.825 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])CC(F)(F)F ZINC000665301301 414276421 /nfs/dbraw/zinc/27/64/21/414276421.db2.gz UGZXKOIFEWGCIQ-NXEZZACHSA-N 2 0 252.324 2.682 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccoc2)[C@@H](C)C1 ZINC000658197425 414278755 /nfs/dbraw/zinc/27/87/55/414278755.db2.gz GBFBMDCCAIDSIZ-RDJZCZTQSA-N 2 0 294.439 2.549 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661874475 414289615 /nfs/dbraw/zinc/28/96/15/414289615.db2.gz JCPOQGJSZQIOQB-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000658224723 414295336 /nfs/dbraw/zinc/29/53/36/414295336.db2.gz QUKNGMUNKBXFBV-CYBMUJFWSA-N 2 0 260.372 2.884 20 0 CFADRP C1CC1[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658229261 414298742 /nfs/dbraw/zinc/29/87/42/414298742.db2.gz BETSMTPFMZEYDU-MRXNPFEDSA-N 2 0 291.483 2.610 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[NH3+] ZINC000037713282 173632601 /nfs/dbraw/zinc/63/26/01/173632601.db2.gz YLVBVPHSPJFAOM-NSHDSACASA-N 2 0 272.339 2.548 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000655682953 414359146 /nfs/dbraw/zinc/35/91/46/414359146.db2.gz OBVRYXWHKNBKAD-UONOGXRCSA-N 2 0 256.459 2.736 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCC2)[C@H](C)C1 ZINC000658315137 414368924 /nfs/dbraw/zinc/36/89/24/414368924.db2.gz MCTRXOCBOORGGQ-KBMXLJTQSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655691900 414370154 /nfs/dbraw/zinc/37/01/54/414370154.db2.gz ZYBXGEWHTVREAH-HOTGVXAUSA-N 2 0 290.455 2.820 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)C1CCCC1 ZINC000658314935 414371014 /nfs/dbraw/zinc/37/10/14/414371014.db2.gz KPYWCQAKEIFPBS-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccco2)[C@H](C)C1 ZINC000658326803 414376870 /nfs/dbraw/zinc/37/68/70/414376870.db2.gz KDAWJNREJUSDIX-UKRRQHHQSA-N 2 0 250.386 2.532 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000658330682 414378379 /nfs/dbraw/zinc/37/83/79/414378379.db2.gz UOZOSZHKOJZYGW-HMQMGEFJSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@H]2CCCn3ccnc32)c1 ZINC000655714445 414383888 /nfs/dbraw/zinc/38/38/88/414383888.db2.gz DOTVSLDOSJOASE-KRWDZBQOSA-N 2 0 298.434 2.960 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000655755219 414411577 /nfs/dbraw/zinc/41/15/77/414411577.db2.gz SNLDOKTZFMCPAA-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CS1 ZINC000655764762 414418131 /nfs/dbraw/zinc/41/81/31/414418131.db2.gz QVEQXVQOGRUFRW-ZUJMUWTESA-N 2 0 268.470 2.877 20 0 CFADRP O[C@H]1CC[N@@H+](C2CC[NH+](CCC3CCCCCC3)CC2)C1 ZINC000662147324 414430989 /nfs/dbraw/zinc/43/09/89/414430989.db2.gz DMPBSBWELWKVMV-SFHVURJKSA-N 2 0 294.483 2.878 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655784584 414433482 /nfs/dbraw/zinc/43/34/82/414433482.db2.gz DFEAFACHKXNXNQ-DLBZAZTESA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)CCCC[C@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662149717 414435167 /nfs/dbraw/zinc/43/51/67/414435167.db2.gz QACAHIXVCPTHQM-RDJZCZTQSA-N 2 0 294.483 2.734 20 0 CFADRP C1CC1[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000655788856 414436389 /nfs/dbraw/zinc/43/63/89/414436389.db2.gz QDPWAJGMDHNCAG-YYIAUSFCSA-N 2 0 278.440 2.551 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000655805468 414450435 /nfs/dbraw/zinc/45/04/35/414450435.db2.gz OCFDTJRLYQDCLZ-IVMMDQJWSA-N 2 0 292.398 2.969 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000655806227 414450720 /nfs/dbraw/zinc/45/07/20/414450720.db2.gz RVPARJGOHKYQFH-KNXALSJPSA-N 2 0 278.827 2.737 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805242 414451433 /nfs/dbraw/zinc/45/14/33/414451433.db2.gz DBVLOKKBVSNJRO-FMKPAKJESA-N 2 0 276.424 2.556 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000655807411 414451793 /nfs/dbraw/zinc/45/17/93/414451793.db2.gz LHQUVDZDSSCGMM-UPJWGTAASA-N 2 0 250.361 2.817 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806852 414451863 /nfs/dbraw/zinc/45/18/63/414451863.db2.gz CNRHIZAIHASYJH-BHYGNILZSA-N 2 0 260.425 2.938 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1SC ZINC000655826012 414462340 /nfs/dbraw/zinc/46/23/40/414462340.db2.gz CDWNTKJDDATCBO-OKILXGFUSA-N 2 0 294.464 2.847 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826505 414462391 /nfs/dbraw/zinc/46/23/91/414462391.db2.gz GQOIZJVHCUTPBL-LVQVYYBASA-N 2 0 250.430 2.909 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000655826973 414464114 /nfs/dbraw/zinc/46/41/14/414464114.db2.gz KJOZFKLITGTSRI-VDISTLRHSA-N 2 0 270.779 2.909 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000655827304 414464151 /nfs/dbraw/zinc/46/41/51/414464151.db2.gz QXGMEEXMRFTJBV-IOASZLSFSA-N 2 0 264.388 2.859 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655827635 414464418 /nfs/dbraw/zinc/46/44/18/414464418.db2.gz VSNZLOZIOCWJQD-KDYLLFBJSA-N 2 0 298.434 2.815 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000655827303 414464950 /nfs/dbraw/zinc/46/49/50/414464950.db2.gz QXGMEEXMRFTJBV-HEHGZKQESA-N 2 0 264.388 2.859 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000655831162 414465817 /nfs/dbraw/zinc/46/58/17/414465817.db2.gz FBJGQDYVJFFFPY-HIFRSBDPSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@H+](CC[C@@H]1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000662235955 414468114 /nfs/dbraw/zinc/46/81/14/414468114.db2.gz AVXUPVLONAFAFI-HNNXBMFYSA-N 2 0 258.409 2.790 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352186 414398969 /nfs/dbraw/zinc/39/89/69/414398969.db2.gz DSLQJFRSUDIQGS-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658357916 414404137 /nfs/dbraw/zinc/40/41/37/414404137.db2.gz RWRRBUDRYVSBRC-UHFFFAOYSA-N 3 0 293.499 2.571 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1Cl ZINC000662247554 414474731 /nfs/dbraw/zinc/47/47/31/414474731.db2.gz XNSNSTDAHXCDOE-NSHDSACASA-N 2 0 282.815 2.908 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000655848601 414476015 /nfs/dbraw/zinc/47/60/15/414476015.db2.gz IJAGFJOKDMAHDO-HRCADAONSA-N 2 0 280.456 2.941 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)ccn1 ZINC000655848525 414476630 /nfs/dbraw/zinc/47/66/30/414476630.db2.gz HGZAXPTUWLBVPR-IMJJTQAJSA-N 2 0 289.423 2.758 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cccnc1 ZINC000655848795 414476753 /nfs/dbraw/zinc/47/67/53/414476753.db2.gz KVVFSTJOSMZDSV-NUEKZKHPSA-N 2 0 259.397 2.749 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253100 414477084 /nfs/dbraw/zinc/47/70/84/414477084.db2.gz VGFYXSLGUUKAAT-MRXNPFEDSA-N 2 0 292.398 2.559 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000655849788 414478482 /nfs/dbraw/zinc/47/84/82/414478482.db2.gz QCFLCOQSZFXPKQ-FXUDXRNXSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000662267454 414483576 /nfs/dbraw/zinc/48/35/76/414483576.db2.gz VWXCNWQLICBCLU-VVLHAWIVSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662266531 414484004 /nfs/dbraw/zinc/48/40/04/414484004.db2.gz MWMXYOOGIVXMIC-NUEKZKHPSA-N 2 0 258.409 2.776 20 0 CFADRP C[N@H+](CCc1nsc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000662266049 414484038 /nfs/dbraw/zinc/48/40/38/414484038.db2.gz DPAJBGMYYADKJR-CYBMUJFWSA-N 2 0 289.448 2.913 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662266530 414484052 /nfs/dbraw/zinc/48/40/52/414484052.db2.gz MWMXYOOGIVXMIC-IMJJTQAJSA-N 2 0 258.409 2.776 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662273421 414488725 /nfs/dbraw/zinc/48/87/25/414488725.db2.gz WMKOBJKEHMWTCY-OAHLLOKOSA-N 2 0 275.421 2.510 20 0 CFADRP C([C@@H]1CC[C@H]2C[C@H]2C1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662274013 414489963 /nfs/dbraw/zinc/48/99/63/414489963.db2.gz RLSFQPTVZMBMFW-BSWAZPDLSA-N 2 0 262.441 2.744 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000662275127 414490214 /nfs/dbraw/zinc/49/02/14/414490214.db2.gz SKFWPSZBBXHFHV-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP C(CC1CCC1)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662274275 414490491 /nfs/dbraw/zinc/49/04/91/414490491.db2.gz TXIBVDPMGJQWPB-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000662275994 414491482 /nfs/dbraw/zinc/49/14/82/414491482.db2.gz GPCMHSUHPKGJHF-OAHLLOKOSA-N 2 0 289.448 2.817 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1c(F)cccc1Cl ZINC000662280091 414493047 /nfs/dbraw/zinc/49/30/47/414493047.db2.gz CIOQSZBFXMCZIN-GHMZBOCLSA-N 2 0 298.789 2.651 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659303572 414493401 /nfs/dbraw/zinc/49/34/01/414493401.db2.gz PEGWVTVZFUZAOZ-KRWDZBQOSA-N 2 0 295.386 2.579 20 0 CFADRP C[C@@H]1CCCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662278877 414493565 /nfs/dbraw/zinc/49/35/65/414493565.db2.gz BRJAHABBNRZGHK-CQSZACIVSA-N 2 0 258.409 2.954 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)ccc1F ZINC000662281751 414494361 /nfs/dbraw/zinc/49/43/61/414494361.db2.gz LPUYLQVZVSWMTP-SWLSCSKDSA-N 2 0 296.361 2.527 20 0 CFADRP FC1(F)C[C@@]12CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662283755 414495267 /nfs/dbraw/zinc/49/52/67/414495267.db2.gz KJDOZVYXPOIWBI-OAHLLOKOSA-N 2 0 278.346 2.563 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283239 414495301 /nfs/dbraw/zinc/49/53/01/414495301.db2.gz SUBLGFWFMZECIA-HRCADAONSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]1CN(CCCc2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000655938261 414495291 /nfs/dbraw/zinc/49/52/91/414495291.db2.gz QFYOLTQLUDFGBM-NHYWBVRUSA-N 2 0 268.351 2.567 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)ccc1F ZINC000662281753 414495562 /nfs/dbraw/zinc/49/55/62/414495562.db2.gz LPUYLQVZVSWMTP-WFASDCNBSA-N 2 0 296.361 2.527 20 0 CFADRP C[C@@H](c1cccnc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293346 414496302 /nfs/dbraw/zinc/49/63/02/414496302.db2.gz QREMTGLZJINSPC-YOEHRIQHSA-N 2 0 273.424 2.854 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000655948077 414496788 /nfs/dbraw/zinc/49/67/88/414496788.db2.gz XLXWUXZALADUBG-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP Clc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292117 414497078 /nfs/dbraw/zinc/49/70/78/414497078.db2.gz MURPKRAPSYNBKB-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292615 414498034 /nfs/dbraw/zinc/49/80/34/414498034.db2.gz GAJHCGOXNXWICT-ZBFHGGJFSA-N 2 0 273.424 2.854 20 0 CFADRP C[N@H+](CCCc1ccc(Cl)cc1)CC(C)(C)[NH3+] ZINC000662297294 414499371 /nfs/dbraw/zinc/49/93/71/414499371.db2.gz JBXNXNXWIXKOFV-UHFFFAOYSA-N 2 0 254.805 2.942 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296048 414499622 /nfs/dbraw/zinc/49/96/22/414499622.db2.gz XPLVYSPSZIZMBD-LLLHUVSDSA-N 2 0 262.441 2.744 20 0 CFADRP [NH3+][C@@H]1CCc2ccccc2N(CCC[NH+]2CCCCC2)C1 ZINC000662301403 414501115 /nfs/dbraw/zinc/50/11/15/414501115.db2.gz FOWZFLIWHQZADC-QGZVFWFLSA-N 2 0 287.451 2.643 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCc2ccccc21 ZINC000662321366 414505127 /nfs/dbraw/zinc/50/51/27/414505127.db2.gz HMMIHWZIXFFGME-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662317484 414505676 /nfs/dbraw/zinc/50/56/76/414505676.db2.gz PYPJLZUKFYBHFM-FUHWJXTLSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])oc1C ZINC000662315622 414506032 /nfs/dbraw/zinc/50/60/32/414506032.db2.gz ULJPGZJKVGQUHL-BXUZGUMPSA-N 2 0 265.401 2.631 20 0 CFADRP CCc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321830 414506635 /nfs/dbraw/zinc/50/66/35/414506635.db2.gz DTSQRPGGGPWZCH-GOSISDBHSA-N 2 0 290.451 2.792 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000662321998 414507549 /nfs/dbraw/zinc/50/75/49/414507549.db2.gz SRFHEERBKWRKNM-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@](C)(C(F)F)O1 ZINC000662336546 414511162 /nfs/dbraw/zinc/51/11/62/414511162.db2.gz YZAFAEPSWOSZNH-IUODEOHRSA-N 2 0 290.398 2.511 20 0 CFADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000662381869 414529174 /nfs/dbraw/zinc/52/91/74/414529174.db2.gz IHAZZDKOFQIYOA-MRXNPFEDSA-N 2 0 289.423 2.609 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000656193338 414529774 /nfs/dbraw/zinc/52/97/74/414529774.db2.gz HHFCLHRFCUXCOK-IHRRRGAJSA-N 2 0 256.434 2.558 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cn(C)c2c1 ZINC000656197937 414531596 /nfs/dbraw/zinc/53/15/96/414531596.db2.gz DYQCHKJEMWFVRR-JKSUJKDBSA-N 2 0 285.435 2.889 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000656196800 414532584 /nfs/dbraw/zinc/53/25/84/414532584.db2.gz LDUBISMFCSBTPS-QWHCGFSZSA-N 2 0 264.438 2.986 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656198693 414533712 /nfs/dbraw/zinc/53/37/12/414533712.db2.gz CICAWKCXKCXONL-BZUAXINKSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000656201190 414533793 /nfs/dbraw/zinc/53/37/93/414533793.db2.gz USIDISGODWHMSA-KBAYOESNSA-N 2 0 287.451 2.751 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000656200516 414533856 /nfs/dbraw/zinc/53/38/56/414533856.db2.gz ODAFGVPKORDBJU-UKRRQHHQSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662422492 414539692 /nfs/dbraw/zinc/53/96/92/414539692.db2.gz QBWVKQCQZJYCLW-GFCCVEGCSA-N 2 0 295.386 2.604 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(CC[NH+](C)C)CC2)C1 ZINC000659852984 414588933 /nfs/dbraw/zinc/58/89/33/414588933.db2.gz RGSAZWYYUONLPK-IAGOWNOFSA-N 2 0 295.515 2.628 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCO[C@H](C)C3)C2)CC1 ZINC000659865082 414597092 /nfs/dbraw/zinc/59/70/92/414597092.db2.gz ONPAQVAXQFXANG-FGTMMUONSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000659876190 414602953 /nfs/dbraw/zinc/60/29/53/414602953.db2.gz CKCSAGLEYKEYEP-DLBZAZTESA-N 2 0 282.472 2.590 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000659930511 414619353 /nfs/dbraw/zinc/61/93/53/414619353.db2.gz CYQWNQCXHMTRPG-NXHRZFHOSA-N 2 0 290.451 2.566 20 0 CFADRP CCc1ccc([C@@H]2CCCN2C[C@@H](O)C[N@H+](C)C(C)C)o1 ZINC000659938383 414623074 /nfs/dbraw/zinc/62/30/74/414623074.db2.gz KYMLYLSOEFVUIH-HOCLYGCPSA-N 2 0 294.439 2.680 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659944354 414624826 /nfs/dbraw/zinc/62/48/26/414624826.db2.gz JHBDOGVLRFMOHM-SJORKVTESA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000656268321 414554056 /nfs/dbraw/zinc/55/40/56/414554056.db2.gz BRDGDAQAVXCEIU-HSMVNMDESA-N 2 0 282.378 2.998 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(Br)s1 ZINC000038003354 173965137 /nfs/dbraw/zinc/96/51/37/173965137.db2.gz WOCCIOXYNNQVJY-MRVPVSSYSA-N 2 0 277.231 2.900 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346856382 287284905 /nfs/dbraw/zinc/28/49/05/287284905.db2.gz VWTSJWDZMWSERT-IBEHDNSVSA-N 2 0 250.430 2.872 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)c1 ZINC000662578735 414568261 /nfs/dbraw/zinc/56/82/61/414568261.db2.gz GKBVNMTVHWVPFT-QGZVFWFLSA-N 2 0 295.386 2.627 20 0 CFADRP CCC[C@H]([NH3+])c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456218 414581799 /nfs/dbraw/zinc/58/17/99/414581799.db2.gz UTWSNRVAFDHGLC-CVEARBPZSA-N 2 0 299.422 2.525 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041656 174042773 /nfs/dbraw/zinc/04/27/73/174042773.db2.gz LALYGIZIOXXCLX-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCC1 ZINC000659955836 414631450 /nfs/dbraw/zinc/63/14/50/414631450.db2.gz DVRRVQCLOLQWAL-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cccc(F)c1 ZINC000038076085 174086464 /nfs/dbraw/zinc/08/64/64/174086464.db2.gz CENZXROSNUXHLM-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP CC(C)[C@@H]1[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCCC2 ZINC000656700980 414643299 /nfs/dbraw/zinc/64/32/99/414643299.db2.gz YMNIYBPILCEULV-CVEARBPZSA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)c1cccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000663314968 414671642 /nfs/dbraw/zinc/67/16/42/414671642.db2.gz FNUKORGJHGKSGQ-MRXNPFEDSA-N 2 0 289.467 2.536 20 0 CFADRP CC[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668109 174366738 /nfs/dbraw/zinc/36/67/38/174366738.db2.gz IGCVIKWWHCDJRW-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CCc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746552 174391363 /nfs/dbraw/zinc/39/13/63/174391363.db2.gz JBBJNLSVBVCFHY-SJPCQFCGSA-N 2 0 258.409 2.964 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000663343907 414676948 /nfs/dbraw/zinc/67/69/48/414676948.db2.gz JOXBYCXGONLEOX-FVQBIDKESA-N 2 0 282.497 2.982 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOCCC(C)C)CC1 ZINC000044388844 175170721 /nfs/dbraw/zinc/17/07/21/175170721.db2.gz NAADSYJHSOOLKC-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515795 175189833 /nfs/dbraw/zinc/18/98/33/175189833.db2.gz PMIRKWVRHBPXIY-ZDUSSCGKSA-N 2 0 262.397 2.688 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000044516036 175189900 /nfs/dbraw/zinc/18/99/00/175189900.db2.gz BRFQPVYNJSCMMD-UHFFFAOYSA-N 2 0 284.407 2.508 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000044515482 175190019 /nfs/dbraw/zinc/19/00/19/175190019.db2.gz ZWZWBHOMQQYMFY-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000044517309 175190450 /nfs/dbraw/zinc/19/04/50/175190450.db2.gz QUXMDCSLNAPMJO-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(F)c2)CC1 ZINC000044517186 175190467 /nfs/dbraw/zinc/19/04/67/175190467.db2.gz SWXATCHWJPHEGI-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516731 175190475 /nfs/dbraw/zinc/19/04/75/175190475.db2.gz CBJHQYVEFZHOOS-CQSZACIVSA-N 2 0 276.424 2.996 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000044530596 175195211 /nfs/dbraw/zinc/19/52/11/175195211.db2.gz ABLNHPAGWMNIJN-LBPRGKRZSA-N 2 0 268.401 2.589 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000044532730 175195961 /nfs/dbraw/zinc/19/59/61/175195961.db2.gz ZZYJIDVTESOJQX-ZDUSSCGKSA-N 2 0 252.427 2.796 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532868 175196249 /nfs/dbraw/zinc/19/62/49/175196249.db2.gz BJUSWVFFGNTBBK-KGLIPLIRSA-N 2 0 274.408 2.614 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000044534163 175196849 /nfs/dbraw/zinc/19/68/49/175196849.db2.gz QSJZVIIFLAYNSK-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534680 175197744 /nfs/dbraw/zinc/19/77/44/175197744.db2.gz LQLVIKVXJAOXRC-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000044535805 175198696 /nfs/dbraw/zinc/19/86/96/175198696.db2.gz ZTMBHHJLCQFRKA-ZDUSSCGKSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000045598296 175381945 /nfs/dbraw/zinc/38/19/45/175381945.db2.gz VLHVMUMHMUTSLD-GXTWGEPZSA-N 2 0 250.386 2.834 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000415071366 287311318 /nfs/dbraw/zinc/31/13/18/287311318.db2.gz SSZAFFWDPTWLSE-BPQIPLTHSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414827717 287311384 /nfs/dbraw/zinc/31/13/84/287311384.db2.gz HOSVXCRDCFMANX-SOLBZPMBSA-N 3 0 293.499 2.619 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414906827 533680601 /nfs/dbraw/zinc/68/06/01/533680601.db2.gz PNPAUBDCQVVFBP-DZGCQCFKSA-N 2 0 264.388 2.879 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070938930 176013423 /nfs/dbraw/zinc/01/34/23/176013423.db2.gz SGZLGEALDOTUPO-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000071142065 176039921 /nfs/dbraw/zinc/03/99/21/176039921.db2.gz NWJIIZVPWLVYEN-OAHLLOKOSA-N 2 0 254.377 2.881 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170254 176050810 /nfs/dbraw/zinc/05/08/10/176050810.db2.gz IFOWISNIXAZCJP-HNNXBMFYSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340187171 287348190 /nfs/dbraw/zinc/34/81/90/287348190.db2.gz UIJAWUXOJWCDKT-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n(C)n1 ZINC000417971460 227297520 /nfs/dbraw/zinc/29/75/20/227297520.db2.gz SANWNJJPGPFILE-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP CC[C@H](C(=O)NCC[NH2+]C1CCCCCC1)[NH+](CC)CC ZINC000429549550 287491121 /nfs/dbraw/zinc/49/11/21/287491121.db2.gz UIICBMIRDYLQPE-MRXNPFEDSA-N 2 0 297.487 2.535 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000422940015 533683515 /nfs/dbraw/zinc/68/35/15/533683515.db2.gz MWMXXPNCEFAMPY-ZJUUUORDSA-N 2 0 256.777 2.564 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423074241 287619584 /nfs/dbraw/zinc/61/95/84/287619584.db2.gz LFHALNDAIQKZRO-UBDQQSCGSA-N 2 0 288.435 2.742 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400981276 420503117 /nfs/dbraw/zinc/50/31/17/420503117.db2.gz UORCJXPODXXKBN-RRFJBIMHSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401020263 420504150 /nfs/dbraw/zinc/50/41/50/420504150.db2.gz KLBISPDJRALPTN-HLLBOEOZSA-N 2 0 276.399 2.654 20 0 CFADRP C1=CCC(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000660234682 420504841 /nfs/dbraw/zinc/50/48/41/420504841.db2.gz YOHSSICZKAUAAM-UHFFFAOYSA-N 2 0 292.467 2.777 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916267 420501153 /nfs/dbraw/zinc/50/11/53/420501153.db2.gz XDRWXWLMURZBQN-IRXDYDNUSA-N 2 0 258.409 2.959 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000400962323 420502352 /nfs/dbraw/zinc/50/23/52/420502352.db2.gz LOYXXPIAWJPNAI-XLNGHYISSA-N 2 0 258.409 2.768 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400915680 420502824 /nfs/dbraw/zinc/50/28/24/420502824.db2.gz DAPSDXSBVQPPBX-HYVNUMGLSA-N 2 0 281.403 2.713 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000521858940 260220050 /nfs/dbraw/zinc/22/00/50/260220050.db2.gz CSOYBFDMNUNZAO-USXIJHARSA-N 2 0 290.455 2.530 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1OCCc2sccc21 ZINC000521068156 260373565 /nfs/dbraw/zinc/37/35/65/260373565.db2.gz NSMQELYLTMUAKJ-YFCNSXCBSA-N 2 0 280.437 2.610 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000181745827 261503408 /nfs/dbraw/zinc/50/34/08/261503408.db2.gz SJPJWVODIVANIQ-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000390228433 262160756 /nfs/dbraw/zinc/16/07/56/262160756.db2.gz DOXDKZQCQVTCLP-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP C[NH+](C)CCCC[NH2+]CCc1cccc(Cl)c1 ZINC000390306700 262176043 /nfs/dbraw/zinc/17/60/43/262176043.db2.gz FAHWMACQPLIGTR-UHFFFAOYSA-N 2 0 254.805 2.814 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000391208892 262389427 /nfs/dbraw/zinc/38/94/27/262389427.db2.gz OMFSEVODDSDNOP-BFHYXJOUSA-N 2 0 279.453 2.586 20 0 CFADRP C[C@H](CC(=O)Nc1ccc([C@H](C)[NH3+])cc1)C1CC[NH2+]CC1 ZINC000178242722 533685719 /nfs/dbraw/zinc/68/57/19/533685719.db2.gz HTQNSYWDEGOPGI-OLZOCXBDSA-N 2 0 289.423 2.671 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCc2ccccc2OC)CC1 ZINC000011889271 265308623 /nfs/dbraw/zinc/30/86/23/265308623.db2.gz ZZNMBWVCNPZKAS-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2ccccc2OC)C1 ZINC000011888903 265308816 /nfs/dbraw/zinc/30/88/16/265308816.db2.gz TZMVKBDLJZELEU-OAHLLOKOSA-N 2 0 276.424 2.559 20 0 CFADRP C[C@H]([NH3+])c1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000519140471 265329510 /nfs/dbraw/zinc/32/95/10/265329510.db2.gz HDJQYKCZVZIWOO-IHRRRGAJSA-N 2 0 262.397 2.850 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000514660394 266030630 /nfs/dbraw/zinc/03/06/30/266030630.db2.gz HKLCJKLNTZVHPT-GJZGRUSLSA-N 2 0 255.365 2.594 20 0 CFADRP CC(C)(C[NH2+]C1CCC([NH3+])CC1)c1ccccc1F ZINC000258888941 270274576 /nfs/dbraw/zinc/27/45/76/270274576.db2.gz VCHSTJSUUHOVQD-UHFFFAOYSA-N 2 0 264.388 2.963 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000192837691 270234443 /nfs/dbraw/zinc/23/44/43/270234443.db2.gz LFQAKKJNYAKNQW-ZWKOTPCHSA-N 2 0 295.515 2.913 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423116490 278227248 /nfs/dbraw/zinc/22/72/48/278227248.db2.gz QAGSBMMDRPJCGA-XQLPTFJDSA-N 2 0 256.434 2.687 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000236844582 270263789 /nfs/dbraw/zinc/26/37/89/270263789.db2.gz LKAACZMRXBTGJI-CVEARBPZSA-N 2 0 297.487 2.522 20 0 CFADRP COc1ccc2cc(C[NH2+]C[C@@H](C)C[NH3+])ccc2c1 ZINC000258866840 270274480 /nfs/dbraw/zinc/27/44/80/270274480.db2.gz ZGXHEEPVIFBXJS-LBPRGKRZSA-N 2 0 258.365 2.533 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000268986927 270276847 /nfs/dbraw/zinc/27/68/47/270276847.db2.gz IYQUKDDDSVKFCH-ZDUSSCGKSA-N 2 0 262.397 2.709 20 0 CFADRP C[C@@H](CCCO)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000395046912 270311229 /nfs/dbraw/zinc/31/12/29/270311229.db2.gz PYRVBPPGECTOHK-WMZOPIPTSA-N 2 0 290.451 2.649 20 0 CFADRP CO[C@H]1CCN(CCCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000395164113 270311657 /nfs/dbraw/zinc/31/16/57/270311657.db2.gz KGFWMPPLAORXEV-HOTGVXAUSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000397253655 270316484 /nfs/dbraw/zinc/31/64/84/270316484.db2.gz DQJUNLACYJSGDI-MBNYWOFBSA-N 2 0 250.361 2.631 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397404355 270318032 /nfs/dbraw/zinc/31/80/32/270318032.db2.gz LDTDHBQBMVNIQJ-FMKPAKJESA-N 2 0 276.424 2.891 20 0 CFADRP OC1(C[NH2+]C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397490254 270318815 /nfs/dbraw/zinc/31/88/15/270318815.db2.gz HZMROXWZXNXPEF-UHFFFAOYSA-N 2 0 288.435 2.546 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398087263 270321163 /nfs/dbraw/zinc/32/11/63/270321163.db2.gz IGWXPVPJZPVRIA-RYRKJORJSA-N 2 0 289.467 2.757 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)CCC[NH3+] ZINC000423011938 270332719 /nfs/dbraw/zinc/33/27/19/270332719.db2.gz JQZGQPDNFMVYIG-LBPRGKRZSA-N 2 0 284.831 2.998 20 0 CFADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1C ZINC000514616551 270348021 /nfs/dbraw/zinc/34/80/21/270348021.db2.gz PZGRATSOLCOIRT-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000515517018 270372528 /nfs/dbraw/zinc/37/25/28/270372528.db2.gz YHKYCNBPOHAORW-DZGCQCFKSA-N 2 0 262.397 2.706 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000516173609 270378439 /nfs/dbraw/zinc/37/84/39/270378439.db2.gz MDEAVXSHVLSXKJ-HNNXBMFYSA-N 2 0 262.397 2.662 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000516938045 270392406 /nfs/dbraw/zinc/39/24/06/270392406.db2.gz RVMARFYPYWURHG-QLFBSQMISA-N 2 0 293.842 2.778 20 0 CFADRP CC(C)[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000517144315 270398006 /nfs/dbraw/zinc/39/80/06/270398006.db2.gz AXFGUEWVCKGGSZ-KURKYZTESA-N 2 0 272.436 2.968 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000530386928 270789621 /nfs/dbraw/zinc/78/96/21/270789621.db2.gz WPQSGUMSRUPNJT-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC[NH2+]CC1 ZINC000335022392 273594471 /nfs/dbraw/zinc/59/44/71/273594471.db2.gz GKPBTMXQUFGUQZ-AWEZNQCLSA-N 2 0 280.362 2.931 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000269056244 273794726 /nfs/dbraw/zinc/79/47/26/273794726.db2.gz WTAXQAVZAFLALL-INIZCTEOSA-N 2 0 278.465 2.948 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1C ZINC000415000867 287708394 /nfs/dbraw/zinc/70/83/94/287708394.db2.gz BSBCBZTYBPIGBU-XHXGSEDSSA-N 2 0 250.430 2.789 20 0 CFADRP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000295990845 274061453 /nfs/dbraw/zinc/06/14/53/274061453.db2.gz LWKZTPBIYRUEFV-MSOLQXFVSA-N 2 0 290.451 2.660 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335169754 274101235 /nfs/dbraw/zinc/10/12/35/274101235.db2.gz NJTRPQLFNQYZID-IUODEOHRSA-N 2 0 278.371 2.553 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423546519 274132035 /nfs/dbraw/zinc/13/20/35/274132035.db2.gz FKLBFQIDNXZBRD-SFHVURJKSA-N 2 0 286.419 2.972 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420356979 274156574 /nfs/dbraw/zinc/15/65/74/274156574.db2.gz DGBBOXBXPLQNIE-GOSISDBHSA-N 2 0 288.435 2.703 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000361965592 274334905 /nfs/dbraw/zinc/33/49/05/274334905.db2.gz HIRHYMKYZWRWFS-XOKHGSTOSA-N 2 0 290.476 2.947 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000271518436 274339185 /nfs/dbraw/zinc/33/91/85/274339185.db2.gz PYBYMVCNRVMFJH-YCPHGPKFSA-N 2 0 275.440 2.571 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000415076355 274386201 /nfs/dbraw/zinc/38/62/01/274386201.db2.gz GGZNDPFDMVQMSC-YCPHGPKFSA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)CC[NH2+]1 ZINC000335485278 274391624 /nfs/dbraw/zinc/39/16/24/274391624.db2.gz ZCBFFCMBWFGLCD-DYVFJYSZSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414875925 274497269 /nfs/dbraw/zinc/49/72/69/274497269.db2.gz KNOABVXLMBTWEU-WDEREUQCSA-N 2 0 274.330 2.821 20 0 CFADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000420265461 274710007 /nfs/dbraw/zinc/71/00/07/274710007.db2.gz VHUDOWORLHZCJH-CHWSQXEVSA-N 2 0 285.366 2.728 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC3 ZINC000414839874 274765945 /nfs/dbraw/zinc/76/59/45/274765945.db2.gz WSBVAERRJNAFHY-GJZGRUSLSA-N 2 0 297.446 2.923 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC3 ZINC000414842644 274767514 /nfs/dbraw/zinc/76/75/14/274767514.db2.gz IWUAYZTUPYZRED-ZIAGYGMSSA-N 2 0 283.419 2.675 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000423336464 274776968 /nfs/dbraw/zinc/77/69/68/274776968.db2.gz SUCJQNBKRIVATQ-MRXNPFEDSA-N 2 0 258.409 2.962 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000423460229 274956656 /nfs/dbraw/zinc/95/66/56/274956656.db2.gz MCTSAYWIGZAZPK-HSMVNMDESA-N 2 0 262.372 2.920 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423284973 275060931 /nfs/dbraw/zinc/06/09/31/275060931.db2.gz ZCEVLHDBVCVBAT-DYVFJYSZSA-N 2 0 274.408 2.749 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423484459 275060946 /nfs/dbraw/zinc/06/09/46/275060946.db2.gz REDMGHSKAVWFPX-YOEHRIQHSA-N 2 0 274.408 2.891 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000335043048 275064544 /nfs/dbraw/zinc/06/45/44/275064544.db2.gz LUSMYGHTWGPCRI-NVXWUHKLSA-N 2 0 284.359 2.625 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214962 275069663 /nfs/dbraw/zinc/06/96/63/275069663.db2.gz PWGFORSIVNPAFB-XJKSGUPXSA-N 2 0 276.449 2.606 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000367037922 275071241 /nfs/dbraw/zinc/07/12/41/275071241.db2.gz WBRJGQUPXMNTLB-ZNMIVQPWSA-N 2 0 295.430 2.852 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000372898540 275391106 /nfs/dbraw/zinc/39/11/06/275391106.db2.gz VQZMTHXHOUBQPA-CVEARBPZSA-N 2 0 266.429 2.506 20 0 CFADRP C(CN1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420306614 275391986 /nfs/dbraw/zinc/39/19/86/275391986.db2.gz QNPDUDDOHXITFY-KRWDZBQOSA-N 2 0 293.499 2.574 20 0 CFADRP C([C@@H]1CCSC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336109470 275397260 /nfs/dbraw/zinc/39/72/60/275397260.db2.gz GZFNBTJVOZIWPG-GJZGRUSLSA-N 2 0 268.470 2.690 20 0 CFADRP C1=CC[NH+]([C@@H]2CCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000266213851 275411217 /nfs/dbraw/zinc/41/12/17/275411217.db2.gz GUEAPOOQSONBCE-CQSZACIVSA-N 2 0 265.360 2.685 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157407280 275512964 /nfs/dbraw/zinc/51/29/64/275512964.db2.gz NXTBORLVUUAYCR-IRXDYDNUSA-N 2 0 287.451 2.984 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000348109816 275529032 /nfs/dbraw/zinc/52/90/32/275529032.db2.gz ZPCSAICNUFWWIO-DJIMGWMZSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCO1 ZINC000423042861 275590788 /nfs/dbraw/zinc/59/07/88/275590788.db2.gz MLDXTRDSFFBHMM-QLFBSQMISA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000414708512 275598203 /nfs/dbraw/zinc/59/82/03/275598203.db2.gz ZZDKQAYWNKWUAV-CGZBRXJRSA-N 2 0 281.488 2.556 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777746 275725062 /nfs/dbraw/zinc/72/50/62/275725062.db2.gz LPZUFENLJTWICM-BPXZUEPWSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000414847170 275746781 /nfs/dbraw/zinc/74/67/81/275746781.db2.gz OKNHFMZEYFCFRE-SJORKVTESA-N 2 0 275.440 2.542 20 0 CFADRP CC1(C)Cc2occc2[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000423240662 275874940 /nfs/dbraw/zinc/87/49/40/275874940.db2.gz CNWBCRGVHATFJE-OCCSQVGLSA-N 2 0 262.397 2.882 20 0 CFADRP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000335520292 275874947 /nfs/dbraw/zinc/87/49/47/275874947.db2.gz QPZRNAZODQJKKR-OCCSQVGLSA-N 2 0 262.397 2.882 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OCC)CC1 ZINC000449761468 276004609 /nfs/dbraw/zinc/00/46/09/276004609.db2.gz XVHMSQXGZJVKRE-HZPDHXFCSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[C@@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000337210757 276022169 /nfs/dbraw/zinc/02/21/69/276022169.db2.gz CXFUMRZJUFADNT-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CS1 ZINC000488451662 276033087 /nfs/dbraw/zinc/03/30/87/276033087.db2.gz VXLNXWAUOUNODW-HUUCEWRRSA-N 2 0 270.486 2.979 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422920043 276035764 /nfs/dbraw/zinc/03/57/64/276035764.db2.gz LKLNOKAQRBRFHJ-BHDPWAOGSA-N 2 0 268.445 2.545 20 0 CFADRP CCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439575 276048090 /nfs/dbraw/zinc/04/80/90/276048090.db2.gz OAUOXYWONYAWDO-CAOSSQGBSA-N 2 0 250.430 2.933 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000357319336 276075194 /nfs/dbraw/zinc/07/51/94/276075194.db2.gz BMZLSMWWUKBOTH-GFCCVEGCSA-N 2 0 267.804 2.821 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC000344227324 276076158 /nfs/dbraw/zinc/07/61/58/276076158.db2.gz STKDYKFZKOCZRJ-QAPCUYQASA-N 2 0 289.467 2.568 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000290522557 276106366 /nfs/dbraw/zinc/10/63/66/276106366.db2.gz ZAPKEFPOEWJJDE-WMZOPIPTSA-N 2 0 290.451 2.774 20 0 CFADRP CCN(CCC[NH2+]C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000435884763 276123506 /nfs/dbraw/zinc/12/35/06/276123506.db2.gz WSEYIWCPLMWNPL-WMZOPIPTSA-N 2 0 289.467 2.753 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000336019033 276156766 /nfs/dbraw/zinc/15/67/66/276156766.db2.gz UIEDBQXWILJVHJ-OAHLLOKOSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000337357358 276175998 /nfs/dbraw/zinc/17/59/98/276175998.db2.gz BBSOFDWSUKBVPD-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CNCC[C@H]3C)CC2)CC1 ZINC000335018371 276195180 /nfs/dbraw/zinc/19/51/80/276195180.db2.gz GPMNAMIXLUXUKH-CPFNUKBASA-N 2 0 293.499 2.617 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000352617631 276224781 /nfs/dbraw/zinc/22/47/81/276224781.db2.gz GLICZWOFWRCHCM-JONQDZQNSA-N 2 0 268.445 2.606 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422737413 276234774 /nfs/dbraw/zinc/23/47/74/276234774.db2.gz IBEPIGKIRDNQBZ-GVDBMIGSSA-N 2 0 281.488 2.748 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000422713965 276241199 /nfs/dbraw/zinc/24/11/99/276241199.db2.gz QJAMUWOGXJRUEU-ILXRZTDVSA-N 2 0 256.434 2.689 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(OC)CCCC2)C1 ZINC000361573071 276248205 /nfs/dbraw/zinc/24/82/05/276248205.db2.gz XDKPQKWJFOEODB-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424290485 276257423 /nfs/dbraw/zinc/25/74/23/276257423.db2.gz AZYWGWSVVRFSCW-KNCDZKKRSA-N 2 0 294.483 2.902 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000158488117 276264366 /nfs/dbraw/zinc/26/43/66/276264366.db2.gz FKTKFGDRQORNQL-UHFFFAOYSA-N 2 0 292.471 2.539 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414941411 276270473 /nfs/dbraw/zinc/27/04/73/276270473.db2.gz ASMLCLVATFQQKY-ROUUACIJSA-N 2 0 290.451 2.756 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000375011528 276282790 /nfs/dbraw/zinc/28/27/90/276282790.db2.gz GRODQCGFHVANOQ-KRWDZBQOSA-N 2 0 295.515 2.913 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2(SC)CCC2)C1 ZINC000340561715 276308121 /nfs/dbraw/zinc/30/81/21/276308121.db2.gz SYNCSIYBRGFZDL-CYBMUJFWSA-N 2 0 256.459 2.546 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCn2ccnc2C)CC1 ZINC000336838191 276323404 /nfs/dbraw/zinc/32/34/04/276323404.db2.gz PLICJECMCOQLMW-UHFFFAOYSA-N 2 0 292.471 2.635 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000358987427 276327913 /nfs/dbraw/zinc/32/79/13/276327913.db2.gz MIONQNRROABWGS-SJORKVTESA-N 2 0 282.472 2.927 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2ccccc21 ZINC000348254131 276328000 /nfs/dbraw/zinc/32/80/00/276328000.db2.gz MXKNZGMAEUGYAN-KRWDZBQOSA-N 2 0 276.424 2.622 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C12CCC2 ZINC000245555501 276350064 /nfs/dbraw/zinc/35/00/64/276350064.db2.gz ACRYRFXITSRTPF-OWCLPIDISA-N 2 0 280.456 2.750 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423089305 276358571 /nfs/dbraw/zinc/35/85/71/276358571.db2.gz SAJVZHUUBNUCMN-USXIJHARSA-N 2 0 276.424 2.742 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089624 276364170 /nfs/dbraw/zinc/36/41/70/276364170.db2.gz YZXRPZAQWLHVSZ-GVDBMIGSSA-N 2 0 281.488 2.761 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422819705 276397622 /nfs/dbraw/zinc/39/76/22/276397622.db2.gz NPIJVPRYPIGNDE-REWJHTLYSA-N 2 0 256.459 2.781 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(OC)CCC2)C[C@H]1C ZINC000339010273 276394032 /nfs/dbraw/zinc/39/40/32/276394032.db2.gz JBACLMUGPDCGQM-HUUCEWRRSA-N 2 0 268.445 2.750 20 0 CFADRP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000348472397 276398015 /nfs/dbraw/zinc/39/80/15/276398015.db2.gz XMHJLXPFBNXLDR-MELADBBJSA-N 2 0 256.459 2.735 20 0 CFADRP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000093946568 276639130 /nfs/dbraw/zinc/63/91/30/276639130.db2.gz JQVIBRXKOUBTKU-RYRKJORJSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423003427 287913272 /nfs/dbraw/zinc/91/32/72/287913272.db2.gz HUGSGNUCWRFTLO-ZJIFWQFVSA-N 2 0 270.461 2.684 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449215553 276782815 /nfs/dbraw/zinc/78/28/15/276782815.db2.gz ZVEOBJFNKONNPI-GPANFISMSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000281967516 277026487 /nfs/dbraw/zinc/02/64/87/277026487.db2.gz NOLFACYCKUDIHT-OAHLLOKOSA-N 2 0 297.446 2.957 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C2CC2)C1 ZINC000344152864 277043856 /nfs/dbraw/zinc/04/38/56/277043856.db2.gz XCAIWLUPPCMTDO-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000414170693 277053286 /nfs/dbraw/zinc/05/32/86/277053286.db2.gz CDZHBMWFNNUBSV-DZGCQCFKSA-N 2 0 262.397 2.979 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]21 ZINC000450504200 277069035 /nfs/dbraw/zinc/06/90/35/277069035.db2.gz UDWWFMCNYUUTEP-MCIONIFRSA-N 2 0 272.383 2.838 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000459729279 277073431 /nfs/dbraw/zinc/07/34/31/277073431.db2.gz IXQYVJLLVLKLLO-CYBMUJFWSA-N 2 0 278.444 2.529 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423271449 277083383 /nfs/dbraw/zinc/08/33/83/277083383.db2.gz HMKFOTYRAVVZPE-YLQAJVPDSA-N 2 0 289.423 2.813 20 0 CFADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@H]3CCC(C)(C)C3)C2)CC1 ZINC000377634006 277107424 /nfs/dbraw/zinc/10/74/24/277107424.db2.gz YZNFIXBXLOJSNQ-IRXDYDNUSA-N 2 0 293.499 2.525 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@@H]2CCC[C@H]21 ZINC000353694983 277170673 /nfs/dbraw/zinc/17/06/73/277170673.db2.gz ZZYQOQLMYOIERE-LUKYLMHMSA-N 2 0 280.456 2.798 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCC1 ZINC000361562827 277185417 /nfs/dbraw/zinc/18/54/17/277185417.db2.gz JEOSGAFJMPRLJV-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000453363806 277199481 /nfs/dbraw/zinc/19/94/81/277199481.db2.gz CAKUXFUAPFJJQD-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CN1C[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])Cc2ccccc21 ZINC000423063131 277202300 /nfs/dbraw/zinc/20/23/00/277202300.db2.gz VOLYKWHFLIUEDE-USXIJHARSA-N 2 0 287.451 2.545 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337374005 277206944 /nfs/dbraw/zinc/20/69/44/277206944.db2.gz FLZJZMYPJNPBIW-OIISXLGYSA-N 2 0 280.456 2.656 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414715052 277217309 /nfs/dbraw/zinc/21/73/09/277217309.db2.gz XBWNZWKWMGUPEL-FUHWJXTLSA-N 2 0 290.451 2.566 20 0 CFADRP COCC[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000176224940 277239062 /nfs/dbraw/zinc/23/90/62/277239062.db2.gz UKZQGFGNBNHXBP-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000422946229 277245820 /nfs/dbraw/zinc/24/58/20/277245820.db2.gz OJXINWCIYBFPOZ-UKRRQHHQSA-N 2 0 282.815 2.671 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000414180078 277247731 /nfs/dbraw/zinc/24/77/31/277247731.db2.gz LJLIYBZNTOPQJJ-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000158608293 277262193 /nfs/dbraw/zinc/26/21/93/277262193.db2.gz JIEMOAVFLMCZBR-ZOBUZTSGSA-N 2 0 282.472 2.759 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000128641402 277277012 /nfs/dbraw/zinc/27/70/12/277277012.db2.gz OALYXOOELJFMTP-CABCVRRESA-N 2 0 264.413 2.522 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000423267837 277282509 /nfs/dbraw/zinc/28/25/09/277282509.db2.gz FKELHNUOHHSCNN-GWCFXTLKSA-N 2 0 252.377 2.949 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294261934 277335746 /nfs/dbraw/zinc/33/57/46/277335746.db2.gz QYMQFRKRIVLMFI-IRXDYDNUSA-N 2 0 289.423 2.598 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423116826 277336232 /nfs/dbraw/zinc/33/62/32/277336232.db2.gz RRSTZGIDOHTFSC-QXSJWSMHSA-N 2 0 260.381 2.678 20 0 CFADRP CC(C)C1CC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000488416562 277339509 /nfs/dbraw/zinc/33/95/09/277339509.db2.gz KOPGWPYKUWSPEH-RYTJFDOTSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422890678 277341538 /nfs/dbraw/zinc/34/15/38/277341538.db2.gz ISCUHVADARVAFC-NXSPZCGBSA-N 2 0 268.445 2.543 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000424263262 277351667 /nfs/dbraw/zinc/35/16/67/277351667.db2.gz RNUAEVMRQQJLEY-USTZCAOPSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423096030 277357970 /nfs/dbraw/zinc/35/79/70/277357970.db2.gz NTNLACMCXXHMHT-QBPKDAKJSA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422982044 277367817 /nfs/dbraw/zinc/36/78/17/277367817.db2.gz VFWCPRBDBTYIDO-ULQDDVLXSA-N 2 0 276.424 2.908 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423358162 277391834 /nfs/dbraw/zinc/39/18/34/277391834.db2.gz BGBVDELESDNYAA-ZOWXZIJZSA-N 2 0 278.371 2.681 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000449213291 277397395 /nfs/dbraw/zinc/39/73/95/277397395.db2.gz VDPDLHNBEXYKGX-KFWWJZLASA-N 2 0 270.486 2.696 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422791845 277406985 /nfs/dbraw/zinc/40/69/85/277406985.db2.gz VIJNRKROQIOSPX-AGIUHOORSA-N 2 0 250.386 2.780 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423040378 277476887 /nfs/dbraw/zinc/47/68/87/277476887.db2.gz UBGYLOFKQRJDPT-SSHXOBKSSA-N 2 0 268.445 2.831 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC(C)(C)C2)CC[NH+](C)CC1 ZINC000353623038 277508239 /nfs/dbraw/zinc/50/82/39/277508239.db2.gz ABNCWNAFPITSBO-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422904382 277562098 /nfs/dbraw/zinc/56/20/98/277562098.db2.gz XHARAQQOGKPBLD-ZDUSSCGKSA-N 2 0 264.388 2.964 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000158924539 277566069 /nfs/dbraw/zinc/56/60/69/277566069.db2.gz GSKBGRQNSJLTCH-HNNXBMFYSA-N 2 0 290.455 2.658 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CCCC[C@@H]2C)CC1 ZINC000344324018 277585648 /nfs/dbraw/zinc/58/56/48/277585648.db2.gz FPWUZEQGRGSWSD-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000346546959 277585654 /nfs/dbraw/zinc/58/56/54/277585654.db2.gz ADYGMDGSXCBCKP-BZUAXINKSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCCCC1 ZINC000093516713 277592585 /nfs/dbraw/zinc/59/25/85/277592585.db2.gz MKLFGBCINPAICH-LSDHHAIUSA-N 2 0 268.445 2.582 20 0 CFADRP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000423318956 277622505 /nfs/dbraw/zinc/62/25/05/277622505.db2.gz LFUCBCVZNLUGBB-WWGJUYDJSA-N 2 0 262.441 2.918 20 0 CFADRP C1=C(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422961139 277756855 /nfs/dbraw/zinc/75/68/55/277756855.db2.gz ARXVLYOFNBEFRX-IXDOHACOSA-N 2 0 278.440 2.624 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423376733 277901795 /nfs/dbraw/zinc/90/17/95/277901795.db2.gz YMSKGCVNQDENJA-SJORKVTESA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000192519505 277943339 /nfs/dbraw/zinc/94/33/39/277943339.db2.gz AMEKRAQEAGRKQR-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355646 277951009 /nfs/dbraw/zinc/95/10/09/277951009.db2.gz FQFTZNSKSMMQBP-RHSMWYFYSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423260312 277982162 /nfs/dbraw/zinc/98/21/62/277982162.db2.gz PYCWENBRURLUTE-DYVFJYSZSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000252155561 277983606 /nfs/dbraw/zinc/98/36/06/277983606.db2.gz PCLVQOROJHZIEY-AGGWBTHJSA-N 2 0 268.445 2.795 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000359926849 278002464 /nfs/dbraw/zinc/00/24/64/278002464.db2.gz SWNAKDAVXIFKTE-XMTFNYHQSA-N 3 0 295.515 2.674 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340185184 278003407 /nfs/dbraw/zinc/00/34/07/278003407.db2.gz IKDDUVBTFLVLKH-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)c2c1 ZINC000423298546 278005452 /nfs/dbraw/zinc/00/54/52/278005452.db2.gz OMTROWXASDYLSY-ZYHUDNBSSA-N 2 0 276.380 2.995 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358792 278025600 /nfs/dbraw/zinc/02/56/00/278025600.db2.gz HHBJBPHLYBLYTB-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000414906696 278034401 /nfs/dbraw/zinc/03/44/01/278034401.db2.gz MKYYUDMGZGMYKC-YJBOKZPZSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488431128 278035052 /nfs/dbraw/zinc/03/50/52/278035052.db2.gz NZCPGAIMKWOIQJ-QXSJWSMHSA-N 2 0 252.446 2.990 20 0 CFADRP COc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037158 278049104 /nfs/dbraw/zinc/04/91/04/278049104.db2.gz GMNQLAHATFCOOB-GDBMZVCRSA-N 2 0 274.408 2.659 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC[NH+](C)CC1 ZINC000353610823 278125808 /nfs/dbraw/zinc/12/58/08/278125808.db2.gz NXKHPISJYJUTKX-HUUCEWRRSA-N 2 0 282.497 2.982 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000425351612 278147664 /nfs/dbraw/zinc/14/76/64/278147664.db2.gz MDHWPILUJXELRN-RRFJBIMHSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422816545 278169568 /nfs/dbraw/zinc/16/95/68/278169568.db2.gz ARDGFXFSZKWQQQ-CQSZACIVSA-N 3 0 267.461 2.501 20 0 CFADRP CC1(C)CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000127769332 278191108 /nfs/dbraw/zinc/19/11/08/278191108.db2.gz VCTHLAIROQMDMB-UKRRQHHQSA-N 2 0 279.472 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CCOCC1)C[NH+]1CCCCC1 ZINC000125659315 278208489 /nfs/dbraw/zinc/20/84/89/278208489.db2.gz PWYZWDLVRMEPSF-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1CCc2ccccc21 ZINC000422720951 278210614 /nfs/dbraw/zinc/21/06/14/278210614.db2.gz UHTAWXYWVDZOSP-OIISXLGYSA-N 2 0 287.451 2.687 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423170785 278220055 /nfs/dbraw/zinc/22/00/55/278220055.db2.gz YWHLYJGITJOKAS-GVDBMIGSSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000422900529 278226581 /nfs/dbraw/zinc/22/65/81/278226581.db2.gz JNLWMZZXROWXCC-OTRWWLKZSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000415015451 278228222 /nfs/dbraw/zinc/22/82/22/278228222.db2.gz ASUKOGPRLKEOBV-HZMBPMFUSA-N 2 0 252.789 2.524 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000423292981 278232479 /nfs/dbraw/zinc/23/24/79/278232479.db2.gz PFBHKBBMCBVZNM-QDEZUTFSSA-N 3 0 275.440 2.525 20 0 CFADRP C[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422823087 278254328 /nfs/dbraw/zinc/25/43/28/278254328.db2.gz LAXAAINWHVEHJU-YJBOKZPZSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@@H]1OCCc2sccc21 ZINC000292411477 278260062 /nfs/dbraw/zinc/26/00/62/278260062.db2.gz MDNGKXDLUUAQQY-ZENOOKHLSA-N 2 0 294.464 2.824 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H](C)C1CCCCC1 ZINC000423526906 278262398 /nfs/dbraw/zinc/26/23/98/278262398.db2.gz VGYPPPSZJNODJW-YCPHGPKFSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C[NH+]1CCCC1 ZINC000062077387 278285625 /nfs/dbraw/zinc/28/56/25/278285625.db2.gz WNBMRPIFFOGAKT-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089803 278309836 /nfs/dbraw/zinc/30/98/36/278309836.db2.gz WATAFIRUAIGOIW-ZETOZRRWSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422834004 278335257 /nfs/dbraw/zinc/33/52/57/278335257.db2.gz HHXICIYRAALACF-PBHICJAKSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000133124372 278335874 /nfs/dbraw/zinc/33/58/74/278335874.db2.gz MONUEDPRYLKNBD-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000423319754 278339867 /nfs/dbraw/zinc/33/98/67/278339867.db2.gz DWEMUOJQNBIVAP-CYBMUJFWSA-N 2 0 286.423 2.614 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CSC2(C)C)CC1 ZINC000336322909 278342323 /nfs/dbraw/zinc/34/23/23/278342323.db2.gz QBVYRGZOUAKLNM-LBPRGKRZSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000304672357 278343486 /nfs/dbraw/zinc/34/34/86/278343486.db2.gz CHVSXWYFLLIHOD-WBVHZDCISA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000336713320 278344352 /nfs/dbraw/zinc/34/43/52/278344352.db2.gz MSLPKMSRFYPXAO-WBVHZDCISA-N 2 0 276.424 2.666 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000369728961 278346422 /nfs/dbraw/zinc/34/64/22/278346422.db2.gz FRKFQUMJKOODHC-UONOGXRCSA-N 2 0 268.470 2.688 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423245447 278348370 /nfs/dbraw/zinc/34/83/70/278348370.db2.gz IXLGNIHDACUQOE-OLZOCXBDSA-N 2 0 279.403 2.542 20 0 CFADRP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423111849 278379538 /nfs/dbraw/zinc/37/95/38/278379538.db2.gz WUBMTADXFVFSHV-DAXOMENPSA-N 2 0 295.858 2.673 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000359326401 278578866 /nfs/dbraw/zinc/57/88/66/278578866.db2.gz FPHHEALMMKQVAW-GJZGRUSLSA-N 2 0 297.487 2.534 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449057002 278782254 /nfs/dbraw/zinc/78/22/54/278782254.db2.gz AAWCVYHFJIMUKP-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414180448 288076860 /nfs/dbraw/zinc/07/68/60/288076860.db2.gz BBPSCOQQBRAVMP-OJLVUWQFSA-N 2 0 250.430 2.743 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C(=O)OC)cc1 ZINC000423361722 288090485 /nfs/dbraw/zinc/09/04/85/288090485.db2.gz AOHUKELHGJHMTO-RCBQFDQVSA-N 2 0 290.407 2.512 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423452970 279023632 /nfs/dbraw/zinc/02/36/32/279023632.db2.gz ZTGXSOLKYNJRSZ-IUHNQTRMSA-N 2 0 270.420 2.898 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474716854 279026817 /nfs/dbraw/zinc/02/68/17/279026817.db2.gz ZWRMQNBDWVZXQZ-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000423039198 279059824 /nfs/dbraw/zinc/05/98/24/279059824.db2.gz DWBGZKCQFCUPJS-ZJIFWQFVSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337168877 279094847 /nfs/dbraw/zinc/09/48/47/279094847.db2.gz BVEDRGITPJRRRL-IRXDYDNUSA-N 2 0 295.515 2.769 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000191838365 279099802 /nfs/dbraw/zinc/09/98/02/279099802.db2.gz JRDFMBCDXFHGLH-GOEBONIOSA-N 2 0 276.424 2.873 20 0 CFADRP CCN(CC)CC[N@H+](CCC1CC[NH2+]CC1)CC(C)C ZINC000359220200 279102950 /nfs/dbraw/zinc/10/29/50/279102950.db2.gz OETWJBBTAZYWTO-UHFFFAOYSA-N 2 0 283.504 2.676 20 0 CFADRP CC(C)C[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450650550 279103458 /nfs/dbraw/zinc/10/34/58/279103458.db2.gz KIHSSIKUCJHXFK-JKSUJKDBSA-N 2 0 281.488 2.521 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000349697978 279109240 /nfs/dbraw/zinc/10/92/40/279109240.db2.gz WZRKGDNLGFRRTN-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000347437143 279135374 /nfs/dbraw/zinc/13/53/74/279135374.db2.gz KXHGNOIJPPYFFT-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184659900 279135697 /nfs/dbraw/zinc/13/56/97/279135697.db2.gz VWQRQSGNUBXASX-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000119930290 279137405 /nfs/dbraw/zinc/13/74/05/279137405.db2.gz XRXTWBNLHCEZHE-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000339277568 279153377 /nfs/dbraw/zinc/15/33/77/279153377.db2.gz BDAVAWUWQIAKEP-HUUCEWRRSA-N 2 0 290.455 2.633 20 0 CFADRP Cc1[nH+]ccc(N2CCC(C[NH+](C)C)CC2)c1Cl ZINC000336386554 279164052 /nfs/dbraw/zinc/16/40/52/279164052.db2.gz RQQKAPPQOCUDTF-UHFFFAOYSA-N 2 0 267.804 2.821 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000422985968 279256321 /nfs/dbraw/zinc/25/63/21/279256321.db2.gz GDGMGHQXDNFRMQ-IAQYHMDHSA-N 2 0 250.361 2.920 20 0 CFADRP Cc1nocc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000339185779 279261365 /nfs/dbraw/zinc/26/13/65/279261365.db2.gz YXSZPNWNIYACLU-ZDUSSCGKSA-N 2 0 265.401 2.585 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423015156 279268987 /nfs/dbraw/zinc/26/89/87/279268987.db2.gz KATQLGQCXFGLRR-COXVUDFISA-N 2 0 288.435 2.910 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)CC1CCCCC1 ZINC000415040469 279347166 /nfs/dbraw/zinc/34/71/66/279347166.db2.gz OKFSLUYWKWPUEA-HOCLYGCPSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+](C)C ZINC000310766275 279352686 /nfs/dbraw/zinc/35/26/86/279352686.db2.gz NUXWJBQSZLHJPN-UTUOFQBUSA-N 2 0 266.351 2.895 20 0 CFADRP CC(C)[N@@H+](C)CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000226340381 279354828 /nfs/dbraw/zinc/35/48/28/279354828.db2.gz CBQPUMPHKTZWIR-HOTGVXAUSA-N 2 0 269.477 2.617 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423520194 279356656 /nfs/dbraw/zinc/35/66/56/279356656.db2.gz QZPZWWGZSSZEBO-IAGOWNOFSA-N 2 0 298.434 2.867 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422700027 279371688 /nfs/dbraw/zinc/37/16/88/279371688.db2.gz FVEWMRSMFUSUSD-DJIMGWMZSA-N 2 0 282.472 2.828 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347498012 279387551 /nfs/dbraw/zinc/38/75/51/279387551.db2.gz ZUSLVZNKFVBYHA-OAGGEKHMSA-N 2 0 290.455 2.514 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089954 279422186 /nfs/dbraw/zinc/42/21/86/279422186.db2.gz WGLYAKGWLDAREN-KSHAWTQOSA-N 2 0 292.398 2.545 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1nc2ccccc2n1C ZINC000423275892 279504231 /nfs/dbraw/zinc/50/42/31/279504231.db2.gz MGLXFSIGGTZOHT-BFHYXJOUSA-N 2 0 286.423 2.741 20 0 CFADRP [NH3+]C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000423266475 279647200 /nfs/dbraw/zinc/64/72/00/279647200.db2.gz SDBWZRXXESHSAB-IKGGRYGDSA-N 2 0 273.424 2.628 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000453623044 279657604 /nfs/dbraw/zinc/65/76/04/279657604.db2.gz BLKUNVROMJEEPP-IDCNUPLLSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000361240010 279698617 /nfs/dbraw/zinc/69/86/17/279698617.db2.gz ZLDQYDDWNRWRGU-UONOGXRCSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423394452 279869146 /nfs/dbraw/zinc/86/91/46/279869146.db2.gz ZSCHNQPYWARYPT-DJIMGWMZSA-N 2 0 260.425 2.984 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C12CCC2 ZINC000164516818 279934570 /nfs/dbraw/zinc/93/45/70/279934570.db2.gz SDOBNLNNKNKUAD-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](c2ccccc2)O1 ZINC000420317135 288182754 /nfs/dbraw/zinc/18/27/54/288182754.db2.gz NGZBDAAISKWEPF-JFIYKMOQSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534602 280033755 /nfs/dbraw/zinc/03/37/55/280033755.db2.gz ALEXIEBRUCHBKE-SUMWQHHRSA-N 2 0 256.393 2.819 20 0 CFADRP C[C@H]1[N@H+](CC[C@@H]2CCCC[NH+]2C)CCC12CCOCC2 ZINC000334254139 280037858 /nfs/dbraw/zinc/03/78/58/280037858.db2.gz XSNXCKAVVPEKPO-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414706528 280042740 /nfs/dbraw/zinc/04/27/40/280042740.db2.gz YBUQWWYHYULVEJ-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414706526 280042773 /nfs/dbraw/zinc/04/27/73/280042773.db2.gz YBUQWWYHYULVEJ-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134863565 280095280 /nfs/dbraw/zinc/09/52/80/280095280.db2.gz WAUFAGPPOOWYDW-IIAWOOMASA-N 2 0 250.430 2.981 20 0 CFADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431084476 280128009 /nfs/dbraw/zinc/12/80/09/280128009.db2.gz OWJFPMZLMYJSPZ-VXGBXAGGSA-N 2 0 280.416 2.664 20 0 CFADRP C[C@H]1c2ccsc2CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042781816 280136462 /nfs/dbraw/zinc/13/64/62/280136462.db2.gz FRZHOPVXLOAEHU-NWDGAFQWSA-N 2 0 250.411 2.667 20 0 CFADRP CC[C@@H](COC)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000079706468 280153336 /nfs/dbraw/zinc/15/33/36/280153336.db2.gz MAWVGEWWMLLKSW-INIZCTEOSA-N 2 0 264.413 2.523 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC[NH2+]C1 ZINC000261691519 280154811 /nfs/dbraw/zinc/15/48/11/280154811.db2.gz BFGNYVWLTHKJHG-IRXDYDNUSA-N 2 0 273.424 2.563 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCS1 ZINC000250792530 280158043 /nfs/dbraw/zinc/15/80/43/280158043.db2.gz JYDSVARAXYVDHU-GBJTYRQASA-N 2 0 268.470 2.782 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774605 280223344 /nfs/dbraw/zinc/22/33/44/280223344.db2.gz XQXUOHRLEQMGFM-LXZKKBNFSA-N 2 0 274.408 2.876 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000415091013 280255940 /nfs/dbraw/zinc/25/59/40/280255940.db2.gz YNTDAZAVPQICQN-HOTGVXAUSA-N 2 0 261.413 2.553 20 0 CFADRP CC(C)[C@H]([NH2+]CCCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423337304 280325334 /nfs/dbraw/zinc/32/53/34/280325334.db2.gz VEYVKMQWCVFWON-AWEZNQCLSA-N 2 0 277.368 2.559 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000430726530 280328670 /nfs/dbraw/zinc/32/86/70/280328670.db2.gz WKGHYFUSQZVECH-JZXOWHBKSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336833441 280345766 /nfs/dbraw/zinc/34/57/66/280345766.db2.gz ZJUDIVWMQYQJFN-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449196669 280428082 /nfs/dbraw/zinc/42/80/82/280428082.db2.gz YWPMTMDSDIPZKI-BRWVUGGUSA-N 2 0 292.467 2.677 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cc[nH+]1 ZINC000334591854 280468658 /nfs/dbraw/zinc/46/86/58/280468658.db2.gz VDJASIPRZIBIHA-MRXNPFEDSA-N 2 0 271.408 2.973 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000107697280 280587624 /nfs/dbraw/zinc/58/76/24/280587624.db2.gz LQXIEPUKEOODMW-AWEZNQCLSA-N 2 0 284.403 2.938 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120867736 280618764 /nfs/dbraw/zinc/61/87/64/280618764.db2.gz MQKNDAUHRHBWQS-SJORKVTESA-N 2 0 281.488 2.594 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000126331549 280652186 /nfs/dbraw/zinc/65/21/86/280652186.db2.gz DQTLKIBCPLAMIP-KRWDZBQOSA-N 2 0 258.409 2.914 20 0 CFADRP CC1CCC([NH+]2CCN(CC[NH+]3CCCCC3)CC2)CC1 ZINC000132359321 280729916 /nfs/dbraw/zinc/72/99/16/280729916.db2.gz WFUMHTXEOVNSST-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CC[C@H](COC)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647542 280850191 /nfs/dbraw/zinc/85/01/91/280850191.db2.gz YLTDSGNJAAQJHU-OAHLLOKOSA-N 2 0 256.434 2.657 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423144718 280941068 /nfs/dbraw/zinc/94/10/68/280941068.db2.gz HTFIHPYPVZGMPM-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@H]1C)[NH+](C)C ZINC000247103395 281005681 /nfs/dbraw/zinc/00/56/81/281005681.db2.gz QBNKSBAHFOODNP-PVAVHDDUSA-N 2 0 283.504 2.673 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247242445 281008224 /nfs/dbraw/zinc/00/82/24/281008224.db2.gz ZAYRNOFDPJYZBX-JOCBIADPSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000248166486 281018591 /nfs/dbraw/zinc/01/85/91/281018591.db2.gz TUCRKTHDPKEAET-KLHDSHLOSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCOC(C)C)[C@@H](C)C1 ZINC000248375125 281020872 /nfs/dbraw/zinc/02/08/72/281020872.db2.gz VQSRIJRGHGXMBI-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423138064 281025974 /nfs/dbraw/zinc/02/59/74/281025974.db2.gz RXKLTLFGNMZSPZ-KLHDSHLOSA-N 2 0 280.456 2.559 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000248624572 281029216 /nfs/dbraw/zinc/02/92/16/281029216.db2.gz CJACMFBXCKAIPE-SQWLQELKSA-N 2 0 264.413 2.692 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000248649630 281030384 /nfs/dbraw/zinc/03/03/84/281030384.db2.gz VUDZZUHGMIPTTH-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000248722611 281032616 /nfs/dbraw/zinc/03/26/16/281032616.db2.gz TUMFYRPDQOYSFU-HIFRSBDPSA-N 2 0 278.444 2.765 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000249010319 281043840 /nfs/dbraw/zinc/04/38/40/281043840.db2.gz ONUFHOMVJMPEGS-FHLIZLRMSA-N 2 0 294.483 2.923 20 0 CFADRP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401048741 281050827 /nfs/dbraw/zinc/05/08/27/281050827.db2.gz XGINOPWBEWXYDU-XQLPTFJDSA-N 2 0 250.430 2.933 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249405050 281057573 /nfs/dbraw/zinc/05/75/73/281057573.db2.gz WJMPQZIXMCETDV-OLZOCXBDSA-N 2 0 296.377 2.665 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415011951 281086225 /nfs/dbraw/zinc/08/62/25/281086225.db2.gz RPEIFMCHYOQSRW-QCEMKRCNSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000259035113 281111096 /nfs/dbraw/zinc/11/10/96/281111096.db2.gz PCYZMCQTSYYYCE-OAHLLOKOSA-N 2 0 260.425 2.862 20 0 CFADRP CSc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000259139948 281111682 /nfs/dbraw/zinc/11/16/82/281111682.db2.gz XDYXWZXCKFMAIC-CYBMUJFWSA-N 2 0 250.411 2.640 20 0 CFADRP COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000277334430 281127113 /nfs/dbraw/zinc/12/71/13/281127113.db2.gz VRKBAAUQJZVLTE-CQSZACIVSA-N 2 0 280.387 2.750 20 0 CFADRP Clc1sccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000312751116 281155352 /nfs/dbraw/zinc/15/53/52/281155352.db2.gz WBVAYWKOCFRSQG-SNVBAGLBSA-N 2 0 258.818 2.881 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000396782090 281197039 /nfs/dbraw/zinc/19/70/39/281197039.db2.gz JOZHQYQTVIPASX-IAGOWNOFSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CS1 ZINC000397815903 281202588 /nfs/dbraw/zinc/20/25/88/281202588.db2.gz CINMAOVDIWZSHH-XLWJZTARSA-N 2 0 268.470 2.781 20 0 CFADRP FC(F)OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000398240386 281205733 /nfs/dbraw/zinc/20/57/33/281205733.db2.gz WHSQKBOINRRPNG-YNEHKIRRSA-N 2 0 276.371 2.516 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420373151 281220117 /nfs/dbraw/zinc/22/01/17/281220117.db2.gz MCEGSNQXFGGIGN-LSDHHAIUSA-N 2 0 276.428 2.553 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000420372589 281220138 /nfs/dbraw/zinc/22/01/38/281220138.db2.gz LMMZHXJUWKEVSA-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420373149 281220189 /nfs/dbraw/zinc/22/01/89/281220189.db2.gz MCEGSNQXFGGIGN-GJZGRUSLSA-N 2 0 276.428 2.553 20 0 CFADRP CCc1cccc(OCC[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420372517 281220288 /nfs/dbraw/zinc/22/02/88/281220288.db2.gz YAVVWURXLWTTOL-INIZCTEOSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000423010493 281223174 /nfs/dbraw/zinc/22/31/74/281223174.db2.gz GPBUBKBDDSZBDY-RWBZWWBESA-N 2 0 298.434 2.852 20 0 CFADRP CN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccccc1 ZINC000423010483 281223219 /nfs/dbraw/zinc/22/32/19/281223219.db2.gz GNINRQLXVWYNGC-SYNTWQANSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1ccsc1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423011729 281223241 /nfs/dbraw/zinc/22/32/41/281223241.db2.gz BKVYQSADIZAVAG-UHFFFAOYSA-N 2 0 252.427 2.706 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423776921 281225284 /nfs/dbraw/zinc/22/52/84/281225284.db2.gz QUIAQEKJCNCDSM-KBPBESRZSA-N 2 0 291.439 2.557 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000424371463 281227410 /nfs/dbraw/zinc/22/74/10/281227410.db2.gz FUKXGFXXIZEOAC-FPSMNIFISA-N 2 0 292.467 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCCC2 ZINC000424373548 281227464 /nfs/dbraw/zinc/22/74/64/281227464.db2.gz JRJOALPNEIWHCB-LVQVYYBASA-N 2 0 280.456 2.974 20 0 CFADRP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000093942324 281233207 /nfs/dbraw/zinc/23/32/07/281233207.db2.gz TXJIJFZPLXDYGY-SQNIBIBYSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000449344398 281242262 /nfs/dbraw/zinc/24/22/62/281242262.db2.gz QUKLJLGZJDZGPG-GOSISDBHSA-N 2 0 272.436 2.955 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)no1 ZINC000459364796 281257341 /nfs/dbraw/zinc/25/73/41/281257341.db2.gz AMFSRRZZMTXJDP-ZDUSSCGKSA-N 2 0 265.401 2.727 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459387341 281260290 /nfs/dbraw/zinc/26/02/90/281260290.db2.gz COWJJHMVZAJUOL-XHSDSOJGSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000126199079 281270273 /nfs/dbraw/zinc/27/02/73/281270273.db2.gz MYNOPJHAYMVTKE-KRWDZBQOSA-N 2 0 258.409 2.914 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261390 281272510 /nfs/dbraw/zinc/27/25/10/281272510.db2.gz SCVLBMQJSGKHOH-WMLDXEAASA-N 2 0 258.409 2.962 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000516193548 281300499 /nfs/dbraw/zinc/30/04/99/281300499.db2.gz NFGQWIMPHKODGH-GJZGRUSLSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527669816 281339471 /nfs/dbraw/zinc/33/94/71/281339471.db2.gz JCMRKLHLOBFBLE-SLZITWOASA-N 2 0 250.430 2.883 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527680714 281341101 /nfs/dbraw/zinc/34/11/01/281341101.db2.gz BRCRQKCCUZCNKN-UHFFFAOYSA-N 2 0 281.831 2.945 20 0 CFADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220671 281357467 /nfs/dbraw/zinc/35/74/67/281357467.db2.gz YUJHFWUXBZQCEE-CJNGLKHVSA-N 2 0 258.409 2.998 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261563067 288323581 /nfs/dbraw/zinc/32/35/81/288323581.db2.gz GUVBSNRJDCUYMI-WYUUTHIRSA-N 2 0 264.335 2.695 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261814977 281391833 /nfs/dbraw/zinc/39/18/33/281391833.db2.gz RWZPAYPZJDGSEO-INIZCTEOSA-N 2 0 258.409 2.784 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529531552 281402985 /nfs/dbraw/zinc/40/29/85/281402985.db2.gz GECOVJUFPYULHG-LLVKDONJSA-N 2 0 260.372 2.883 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)sc1C ZINC000542691298 281631573 /nfs/dbraw/zinc/63/15/73/281631573.db2.gz IBKJOGNOFGSPEB-UHFFFAOYSA-N 2 0 284.469 2.813 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CCOCC1 ZINC000542810970 281634618 /nfs/dbraw/zinc/63/46/18/281634618.db2.gz BHRRUDHJMIPGCX-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548885468 281806592 /nfs/dbraw/zinc/80/65/92/281806592.db2.gz YBJHGSPVMSJKPK-XHSDSOJGSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000422872989 281894009 /nfs/dbraw/zinc/89/40/09/281894009.db2.gz JKOHPLAOMIEQAD-NHYWBVRUSA-N 2 0 279.453 2.785 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C12CCC2 ZINC000560288101 282020450 /nfs/dbraw/zinc/02/04/50/282020450.db2.gz TUXFEKMFZSUUNJ-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453402987 282032400 /nfs/dbraw/zinc/03/24/00/282032400.db2.gz GIGLSGPMTKJEQF-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP CN(C)C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000423116087 289208311 /nfs/dbraw/zinc/20/83/11/289208311.db2.gz ZLZSSTVZORKEFM-IMRCBTMISA-N 2 0 293.430 2.536 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422894504 289363829 /nfs/dbraw/zinc/36/38/29/289363829.db2.gz UAAGTLUPPPTEFR-GVDBMIGSSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)C[NH+]1CCCC1 ZINC000187028218 289688844 /nfs/dbraw/zinc/68/88/44/289688844.db2.gz ZQUFQHKRAQYOHD-KGLIPLIRSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000340521161 289695175 /nfs/dbraw/zinc/69/51/75/289695175.db2.gz YPUJTMMUKYZWSL-VQHPVUNQSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCSCC1 ZINC000136363120 289726543 /nfs/dbraw/zinc/72/65/43/289726543.db2.gz AQEYRKDSHWTREA-OCCSQVGLSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000422794650 289728712 /nfs/dbraw/zinc/72/87/12/289728712.db2.gz ZCAJBJCZCZEEKY-CWVYHPPDSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423043759 289773201 /nfs/dbraw/zinc/77/32/01/289773201.db2.gz PWJYXBOQEQXWAZ-GJZGRUSLSA-N 2 0 275.440 2.892 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCCOC1 ZINC000356834091 289950196 /nfs/dbraw/zinc/95/01/96/289950196.db2.gz FWRQBXJSISRVFY-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cn[nH]c1 ZINC000340461641 289950435 /nfs/dbraw/zinc/95/04/35/289950435.db2.gz KRFAZMKXACTXGC-AWEZNQCLSA-N 2 0 264.417 2.572 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CCSCC1 ZINC000423269860 290004862 /nfs/dbraw/zinc/00/48/62/290004862.db2.gz FZWKXDNVVOPBOG-IACUBPJLSA-N 2 0 256.459 2.625 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000562956082 290085275 /nfs/dbraw/zinc/08/52/75/290085275.db2.gz CSCPLYICVGXVSB-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000562956463 290085857 /nfs/dbraw/zinc/08/58/57/290085857.db2.gz WYDQDYGBVSWPKD-HNNXBMFYSA-N 2 0 278.371 2.629 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000562958929 290086013 /nfs/dbraw/zinc/08/60/13/290086013.db2.gz BPUJCQZBVZKIPI-MAUKXSAKSA-N 2 0 298.434 2.539 20 0 CFADRP CCCc1ccc([C@@H]([NH2+]C[C@@](C)(O)C[NH2+]C)C(C)C)cc1 ZINC000563271653 290126415 /nfs/dbraw/zinc/12/64/15/290126415.db2.gz XLRKFLCOHCVHSV-ROUUACIJSA-N 2 0 292.467 2.896 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)C1 ZINC000563426672 290149637 /nfs/dbraw/zinc/14/96/37/290149637.db2.gz VTGJMFQWABTGEI-GJZGRUSLSA-N 2 0 257.381 2.570 20 0 CFADRP C[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)S1 ZINC000563616263 290163913 /nfs/dbraw/zinc/16/39/13/290163913.db2.gz YUBQQJMDIMIGAQ-MBNYWOFBSA-N 2 0 282.428 2.694 20 0 CFADRP COCC1(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000563623888 290164399 /nfs/dbraw/zinc/16/43/99/290164399.db2.gz XSMBHKYABXYRMP-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000563667857 290167584 /nfs/dbraw/zinc/16/75/84/290167584.db2.gz VJXDIBASBREIDL-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000563734591 290171535 /nfs/dbraw/zinc/17/15/35/290171535.db2.gz WNHMODBZWMUFCW-VXGBXAGGSA-N 2 0 267.442 2.669 20 0 CFADRP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000563822174 290177245 /nfs/dbraw/zinc/17/72/45/290177245.db2.gz XLTDPYSGJJQBDG-ROUUACIJSA-N 2 0 292.467 2.848 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c21 ZINC000563977021 290188336 /nfs/dbraw/zinc/18/83/36/290188336.db2.gz XYFHCVBFTLZDJJ-LSDHHAIUSA-N 2 0 271.408 2.878 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000564201180 290196232 /nfs/dbraw/zinc/19/62/32/290196232.db2.gz IAHWDCCJPCWWJH-IAGOWNOFSA-N 2 0 267.376 2.667 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000564318747 290202619 /nfs/dbraw/zinc/20/26/19/290202619.db2.gz DJXHNKRKIZFJRR-HNNXBMFYSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000564318748 290202672 /nfs/dbraw/zinc/20/26/72/290202672.db2.gz DJXHNKRKIZFJRR-OAHLLOKOSA-N 2 0 292.423 2.744 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000564416134 290207787 /nfs/dbraw/zinc/20/77/87/290207787.db2.gz YUOYEEYONQWEFS-WMZOPIPTSA-N 2 0 293.499 2.596 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@H]2CCC[C@H]21 ZINC000414305833 290223480 /nfs/dbraw/zinc/22/34/80/290223480.db2.gz GBNIHDIMJKJVJZ-UXXRCYHCSA-N 2 0 254.393 2.730 20 0 CFADRP Cc1ccc([C@H]([NH2+]CCOCC[NH+](C)C)C2CCCC2)o1 ZINC000564807607 290234250 /nfs/dbraw/zinc/23/42/50/290234250.db2.gz NXUSAHOICZDXIP-QGZVFWFLSA-N 2 0 294.439 2.987 20 0 CFADRP C[C@H]([C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000564822695 290236709 /nfs/dbraw/zinc/23/67/09/290236709.db2.gz ITQLVWBSLOACGH-QLFBSQMISA-N 2 0 268.470 2.594 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000564825495 290237557 /nfs/dbraw/zinc/23/75/57/290237557.db2.gz LPUIHCNPLLCAOV-LSDHHAIUSA-N 2 0 298.434 2.565 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000564827934 290237964 /nfs/dbraw/zinc/23/79/64/290237964.db2.gz AGLRWTSRVYMZDR-YUELXQCFSA-N 2 0 276.428 2.748 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000564988447 290255254 /nfs/dbraw/zinc/25/52/54/290255254.db2.gz NOHONKGDVNKDOQ-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565225030 290285218 /nfs/dbraw/zinc/28/52/18/290285218.db2.gz AYBBPTGMIGOOKL-MXWKQRLJSA-N 2 0 252.324 2.823 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565225028 290285262 /nfs/dbraw/zinc/28/52/62/290285262.db2.gz AYBBPTGMIGOOKL-DCAQKATOSA-N 2 0 252.324 2.823 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226290 290285558 /nfs/dbraw/zinc/28/55/58/290285558.db2.gz LXXWHXXWNOVNAB-ZWKOTPCHSA-N 3 0 287.451 2.642 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2O1 ZINC000565225814 290285595 /nfs/dbraw/zinc/28/55/95/290285595.db2.gz HLWDOKVCQMPPQZ-GUIRCDHDSA-N 2 0 260.381 2.758 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000565338631 290295310 /nfs/dbraw/zinc/29/53/10/290295310.db2.gz SOJVMWLUJHBFDR-CYBMUJFWSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCc1c(F)cccc1Cl ZINC000565432204 290301414 /nfs/dbraw/zinc/30/14/14/290301414.db2.gz YWZMDPHKSZOVMD-MNOVXSKESA-N 2 0 270.779 2.833 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000565434939 290301899 /nfs/dbraw/zinc/30/18/99/290301899.db2.gz XAURXHRQPLGWKL-GJZGRUSLSA-N 2 0 274.408 2.586 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565834233 290328868 /nfs/dbraw/zinc/32/88/68/290328868.db2.gz BBHHPGPGZYFDDO-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000566105822 290348330 /nfs/dbraw/zinc/34/83/30/290348330.db2.gz YKSWXLMZWPHMPQ-GJZGRUSLSA-N 2 0 276.424 2.531 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000566413984 290380237 /nfs/dbraw/zinc/38/02/37/290380237.db2.gz KPELJNJOROQDGA-DLBZAZTESA-N 2 0 299.418 2.987 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NCc2cc(-c3ccccc3)on2)C1 ZINC000566482026 290393187 /nfs/dbraw/zinc/39/31/87/290393187.db2.gz RHDNEULKRLMUJL-KGLIPLIRSA-N 2 0 271.364 2.701 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)nc21 ZINC000566484051 290393831 /nfs/dbraw/zinc/39/38/31/290393831.db2.gz ZLKFUSOPAXEOHR-QWHCGFSZSA-N 2 0 273.380 2.538 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC000566484041 290393960 /nfs/dbraw/zinc/39/39/60/290393960.db2.gz ZHADBYPHALZKJV-XHSDSOJGSA-N 2 0 258.409 2.966 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000567123487 290441299 /nfs/dbraw/zinc/44/12/99/290441299.db2.gz JFSFTBMKVVKUGU-QLFBSQMISA-N 2 0 261.413 2.947 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000567915270 290504757 /nfs/dbraw/zinc/50/47/57/290504757.db2.gz MNQQJNGUOUDOAJ-AVNXNWIJSA-N 2 0 264.344 2.507 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000568075242 290521836 /nfs/dbraw/zinc/52/18/36/290521836.db2.gz GWCUYLQENSHIEW-TUVASFSCSA-N 2 0 268.445 2.843 20 0 CFADRP Cc1[nH+]c2ccccc2c(N[C@H](C)C[C@@H](C)[NH3+])c1C ZINC000568089215 290523026 /nfs/dbraw/zinc/52/30/26/290523026.db2.gz MMVMHZVOXIFDDB-GHMZBOCLSA-N 2 0 257.381 2.811 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CCCC1 ZINC000446753593 293146588 /nfs/dbraw/zinc/14/65/88/293146588.db2.gz SXKGOXZVVOWEGJ-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)C[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000414941584 293295162 /nfs/dbraw/zinc/29/51/62/293295162.db2.gz AUPBMWIJWFKYBI-ARFHVFGLSA-N 2 0 270.461 2.805 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1Cl ZINC000414905599 533693647 /nfs/dbraw/zinc/69/36/47/533693647.db2.gz OLSVFZLAERSWMP-CYBMUJFWSA-N 2 0 252.789 2.880 20 0 CFADRP Cc1[nH+]ccc(N2CC[NH+](CC3CC3)CC2)c1Cl ZINC000357296317 293630926 /nfs/dbraw/zinc/63/09/26/293630926.db2.gz CBLWBGWARPULEQ-UHFFFAOYSA-N 2 0 265.788 2.575 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C12CCC2 ZINC000359973074 294037031 /nfs/dbraw/zinc/03/70/31/294037031.db2.gz IBUIGZYPBUGEEM-UGYDUONOSA-N 2 0 280.456 2.508 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC000424305415 294678157 /nfs/dbraw/zinc/67/81/57/294678157.db2.gz SCCQNUXTKWSZGL-LOXOPEBLSA-N 2 0 280.456 2.652 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142858 294729541 /nfs/dbraw/zinc/72/95/41/294729541.db2.gz BLLYXSBMCZUAPG-QMIVOQANSA-N 2 0 254.393 2.777 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000423186927 295210303 /nfs/dbraw/zinc/21/03/03/295210303.db2.gz OQGOMSHNZDXNJV-STQMWFEESA-N 2 0 292.423 2.537 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423563322 295248707 /nfs/dbraw/zinc/24/87/07/295248707.db2.gz XGWAGXMQKKCBLM-IHRRRGAJSA-N 2 0 268.470 2.627 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893556 295255441 /nfs/dbraw/zinc/25/54/41/295255441.db2.gz AFCZQONVDCICLF-WFASDCNBSA-N 2 0 262.372 2.574 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423097905 295257215 /nfs/dbraw/zinc/25/72/15/295257215.db2.gz RLOVTRWIHHNVFX-USXIJHARSA-N 2 0 279.472 2.501 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+](C)C)CCCO2 ZINC000269003745 295270956 /nfs/dbraw/zinc/27/09/56/295270956.db2.gz MCLWSWFAQPECDT-INIZCTEOSA-N 2 0 292.423 2.840 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000423426465 295275520 /nfs/dbraw/zinc/27/55/20/295275520.db2.gz PIAPXLIFHDWOSU-WRQOLXDDSA-N 2 0 292.467 2.689 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCC2CCCCC2)CC12CCOCC2 ZINC000414775772 295276275 /nfs/dbraw/zinc/27/62/75/295276275.db2.gz GTMYPRKMMZDMLT-INIZCTEOSA-N 2 0 280.456 2.644 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335017824 295296472 /nfs/dbraw/zinc/29/64/72/295296472.db2.gz NVAATNNTBIXLQF-JPPWEJMLSA-N 2 0 250.308 2.577 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422704687 295296654 /nfs/dbraw/zinc/29/66/54/295296654.db2.gz AMAAFVPDDISIGC-MSOLQXFVSA-N 2 0 290.451 2.885 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000423469648 295304987 /nfs/dbraw/zinc/30/49/87/295304987.db2.gz VMFKQCYURLIBFO-NNKSGKNISA-N 2 0 262.441 2.918 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCSC(F)(F)F)c2ccccc21 ZINC000231939860 295324655 /nfs/dbraw/zinc/32/46/55/295324655.db2.gz DFFATMGBQHAHCF-GHMZBOCLSA-N 2 0 276.327 2.974 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000334864524 295335493 /nfs/dbraw/zinc/33/54/93/295335493.db2.gz QBVAEBGMPBPKGY-IRXDYDNUSA-N 2 0 280.456 2.785 20 0 CFADRP COc1ccccc1[C@H]([NH2+]CC1C[NH2+]C1)C1CCCC1 ZINC000423302175 295405070 /nfs/dbraw/zinc/40/50/70/295405070.db2.gz JDRCUJVWBSKGBR-QGZVFWFLSA-N 2 0 274.408 2.736 20 0 CFADRP CSCC1CCC([NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000423324345 295588896 /nfs/dbraw/zinc/58/88/96/295588896.db2.gz BCZFRJDXIUTWPH-NRXISQOPSA-N 2 0 270.486 2.888 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc2cccnc12 ZINC000414901286 533694297 /nfs/dbraw/zinc/69/42/97/533694297.db2.gz FYXCJIIYXDOASH-MRXNPFEDSA-N 2 0 269.392 2.775 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414944176 298385269 /nfs/dbraw/zinc/38/52/69/298385269.db2.gz PBSFVNCDODOERK-MXWKQRLJSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226346310 298892194 /nfs/dbraw/zinc/89/21/94/298892194.db2.gz JTZIHKHROGJIJC-HZPDHXFCSA-N 3 0 281.488 2.619 20 0 CFADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCC[NH3+] ZINC000423188636 301288433 /nfs/dbraw/zinc/28/84/33/301288433.db2.gz LWIGQMCJTSPFMQ-CYBMUJFWSA-N 2 0 268.788 2.801 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1OCC(C)C ZINC000414880742 533695206 /nfs/dbraw/zinc/69/52/06/533695206.db2.gz KCBNFASHINZNCS-CYBMUJFWSA-N 2 0 280.412 2.557 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271072884 302066278 /nfs/dbraw/zinc/06/62/78/302066278.db2.gz FTMZBZZDOWMQHT-ZBFHGGJFSA-N 2 0 288.435 2.590 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254710 303132183 /nfs/dbraw/zinc/13/21/83/303132183.db2.gz ZGQYSOVCTJTNHO-DOMZBBRYSA-N 2 0 278.371 2.629 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423338135 303375716 /nfs/dbraw/zinc/37/57/16/303375716.db2.gz VRKRYKWHSILZIY-ZDUSSCGKSA-N 2 0 268.788 2.882 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000423336753 303375793 /nfs/dbraw/zinc/37/57/93/303375793.db2.gz VAULBCNIOKECJY-CYBMUJFWSA-N 2 0 268.788 2.882 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423040027 303407287 /nfs/dbraw/zinc/40/72/87/303407287.db2.gz SFIOAGSRGZPWBH-ORQFMDKSSA-N 2 0 292.398 2.763 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000423492230 303410374 /nfs/dbraw/zinc/41/03/74/303410374.db2.gz MGLCFLYWQNZESY-KYOSRNDESA-N 2 0 278.371 2.756 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000159248321 303422093 /nfs/dbraw/zinc/42/20/93/303422093.db2.gz WZDVJIPYPQLGNL-IAGOWNOFSA-N 2 0 283.419 2.884 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000332303004 303450474 /nfs/dbraw/zinc/45/04/74/303450474.db2.gz LNZOYMZSVQXWSB-CABCVRRESA-N 2 0 268.445 2.569 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000093489795 304851148 /nfs/dbraw/zinc/85/11/48/304851148.db2.gz HODUWODJPQXYFB-YESZJQIVSA-N 2 0 273.424 2.525 20 0 CFADRP C[N@@H+]1CC[C@@H](c2ccc(C=C3CC[NH2+]CC3)cc2)C1 ZINC001240879302 782094330 /nfs/dbraw/zinc/09/43/30/782094330.db2.gz OOOJVTNBDZTISS-QGZVFWFLSA-N 2 0 256.393 2.873 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000162525522 322366135 /nfs/dbraw/zinc/36/61/35/322366135.db2.gz GVUKIXKJXXHITP-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000163872251 322379492 /nfs/dbraw/zinc/37/94/92/322379492.db2.gz GJZCMINTXKZBDU-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C1CC1 ZINC000166201378 322386275 /nfs/dbraw/zinc/38/62/75/322386275.db2.gz CALCPQCVYPZAPW-ROUUACIJSA-N 2 0 272.436 2.938 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000569330402 322464901 /nfs/dbraw/zinc/46/49/01/322464901.db2.gz XMNYYAFFQGPUIV-PBHICJAKSA-N 2 0 276.424 2.829 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000569823750 322499036 /nfs/dbraw/zinc/49/90/36/322499036.db2.gz ACPHFDYJUOXPKQ-LTIDMASMSA-N 2 0 274.408 2.624 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000570175748 322518701 /nfs/dbraw/zinc/51/87/01/322518701.db2.gz LHGMXTQUHMNVCS-FMKPAKJESA-N 2 0 273.424 2.817 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000571701107 322593009 /nfs/dbraw/zinc/59/30/09/322593009.db2.gz FZAHNGQIIKJONU-DVOMOZLQSA-N 2 0 295.858 2.802 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000575859762 322731995 /nfs/dbraw/zinc/73/19/95/322731995.db2.gz JOQVPBJFDOIFSS-DOTOQJQBSA-N 2 0 281.488 2.619 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000181700490 323822149 /nfs/dbraw/zinc/82/21/49/323822149.db2.gz WJVDLCNRORPBNX-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186406632 323979881 /nfs/dbraw/zinc/97/98/81/323979881.db2.gz UPBDXWWSSDDJIE-QGZVFWFLSA-N 2 0 273.424 2.865 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000186406653 323980205 /nfs/dbraw/zinc/98/02/05/323980205.db2.gz UPBDXWWSSDDJIE-KRWDZBQOSA-N 2 0 273.424 2.865 20 0 CFADRP CCC[NH+]1CCC(N(C)CCC[NH+](CC)CC)CC1 ZINC000187672894 324000073 /nfs/dbraw/zinc/00/00/73/324000073.db2.gz JQBBMZFYJQOZMG-UHFFFAOYSA-N 2 0 269.477 2.525 20 0 CFADRP COC[C@H](C)C[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000187704733 324000659 /nfs/dbraw/zinc/00/06/59/324000659.db2.gz IAJWVLUZJLXAED-RBSFLKMASA-N 2 0 270.461 2.615 20 0 CFADRP COC[C@H](C)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000187764806 324002130 /nfs/dbraw/zinc/00/21/30/324002130.db2.gz WKYZELNPAOANGH-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](C)COC)c1 ZINC000187862406 324004066 /nfs/dbraw/zinc/00/40/66/324004066.db2.gz XOQUXWBQOMJRIX-AWEZNQCLSA-N 2 0 264.413 2.510 20 0 CFADRP COC[C@@H](C)C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000188079123 324007691 /nfs/dbraw/zinc/00/76/91/324007691.db2.gz XBTBFGBEWKTVCM-HNNXBMFYSA-N 2 0 270.461 2.617 20 0 CFADRP COC[C@@H](C)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000188244788 324011318 /nfs/dbraw/zinc/01/13/18/324011318.db2.gz AXKIKJZLCLODSK-HNNXBMFYSA-N 2 0 276.424 2.655 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnn2ccccc12 ZINC000387356809 324491274 /nfs/dbraw/zinc/49/12/74/324491274.db2.gz TZJRSPSSFFPCNF-UHFFFAOYSA-N 2 0 274.412 2.544 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000387689161 324496571 /nfs/dbraw/zinc/49/65/71/324496571.db2.gz UVRWHFBNGJGVHU-MSOLQXFVSA-N 2 0 295.515 2.817 20 0 CFADRP OCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000577482203 324741655 /nfs/dbraw/zinc/74/16/55/324741655.db2.gz JZIAJJZCKHQAHQ-OKZBNKHCSA-N 2 0 288.435 2.579 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000578126538 324818783 /nfs/dbraw/zinc/81/87/83/324818783.db2.gz SXVOBAWLIMRMEE-INIZCTEOSA-N 2 0 262.372 2.866 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1OC ZINC000578126559 324819051 /nfs/dbraw/zinc/81/90/51/324819051.db2.gz ZEPYINGHPOTSFK-AWEZNQCLSA-N 2 0 294.439 2.613 20 0 CFADRP Fc1cc(F)c2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000578738408 324882739 /nfs/dbraw/zinc/88/27/39/324882739.db2.gz RCWLVPIIKJASQB-AWEZNQCLSA-N 2 0 296.361 2.768 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000580249286 325019818 /nfs/dbraw/zinc/01/98/18/325019818.db2.gz ARKIYITXJPNSDL-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP CC1CCC(O)(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000580305450 325023580 /nfs/dbraw/zinc/02/35/80/325023580.db2.gz DRFZACGSAFFJQE-CKDBGZEDSA-N 2 0 284.488 2.884 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000580329057 325026530 /nfs/dbraw/zinc/02/65/30/325026530.db2.gz JOKJYJWIFSVNSS-GDBMZVCRSA-N 2 0 261.413 2.868 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc3c(n2)CCC3)[C@@H](C)C1 ZINC000580412104 325032870 /nfs/dbraw/zinc/03/28/70/325032870.db2.gz VDGLTVFMGRQZAV-KSSFIOAISA-N 2 0 287.451 2.732 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000580421651 325034259 /nfs/dbraw/zinc/03/42/59/325034259.db2.gz PNTLZLRDNXDESN-LBPRGKRZSA-N 2 0 250.411 2.579 20 0 CFADRP Cc1cnccc1CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000581008874 325082087 /nfs/dbraw/zinc/08/20/87/325082087.db2.gz GSXNHRXTMYKANU-UHFFFAOYSA-N 2 0 275.440 2.596 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN(C)Cc1ccc(C(C)C)cc1 ZINC000581259109 325105736 /nfs/dbraw/zinc/10/57/36/325105736.db2.gz YKJRYHORDQNANT-QGZVFWFLSA-N 2 0 278.440 2.554 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000581321811 325111333 /nfs/dbraw/zinc/11/13/33/325111333.db2.gz ZMBGVYWAQAWQGN-DLBZAZTESA-N 2 0 288.435 2.594 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000581365495 325114791 /nfs/dbraw/zinc/11/47/91/325114791.db2.gz UHCLWNIVKBRWEB-QGZVFWFLSA-N 2 0 282.472 2.639 20 0 CFADRP [NH3+]C[C@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000581726688 325146224 /nfs/dbraw/zinc/14/62/24/325146224.db2.gz YVFULNOGEAIBOV-LLVKDONJSA-N 2 0 288.313 2.598 20 0 CFADRP c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000581878485 325155962 /nfs/dbraw/zinc/15/59/62/325155962.db2.gz JBIRBYJZXLTAKB-IAGOWNOFSA-N 2 0 258.409 2.912 20 0 CFADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000582311041 325195436 /nfs/dbraw/zinc/19/54/36/325195436.db2.gz ATRBIXGGBBXJPZ-HUUCEWRRSA-N 2 0 298.434 2.660 20 0 CFADRP COc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c(F)c1 ZINC000582550442 325213995 /nfs/dbraw/zinc/21/39/95/325213995.db2.gz QOLZWCDKTNGUHN-ZDUSSCGKSA-N 2 0 280.387 2.608 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000582855793 325239969 /nfs/dbraw/zinc/23/99/69/325239969.db2.gz CKHYJFPOUWAXFG-HZPDHXFCSA-N 2 0 284.407 2.540 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)C1 ZINC000583093921 325259928 /nfs/dbraw/zinc/25/99/28/325259928.db2.gz FWDMZBPQVUEDAK-LSDHHAIUSA-N 2 0 289.423 2.763 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C(C)C)CC2 ZINC000583138227 325262686 /nfs/dbraw/zinc/26/26/86/325262686.db2.gz HOHKDOJLMUOMEN-INIZCTEOSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3ccccc3)CCOCC2)CC[NH2+]1 ZINC000583740561 325307222 /nfs/dbraw/zinc/30/72/22/325307222.db2.gz YVLDUNIJMKXGSU-CVEARBPZSA-N 2 0 288.435 2.670 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000583823381 325313559 /nfs/dbraw/zinc/31/35/59/325313559.db2.gz VKQHQZCWHKZJQZ-ZWKOTPCHSA-N 3 0 289.467 2.888 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCOCC1 ZINC000584028275 325325097 /nfs/dbraw/zinc/32/50/97/325325097.db2.gz DOZNLULEZZMQMA-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584100650 325330435 /nfs/dbraw/zinc/33/04/35/325330435.db2.gz DXIXAQULNCMXOG-OLZOCXBDSA-N 2 0 284.350 2.956 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000584166753 325334718 /nfs/dbraw/zinc/33/47/18/325334718.db2.gz UWZGEYPYFDXRCG-LBPRGKRZSA-N 2 0 279.453 2.672 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000219303537 329497681 /nfs/dbraw/zinc/49/76/81/329497681.db2.gz JFNLGSGBZWZSKK-LLVKDONJSA-N 2 0 288.794 2.708 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1Br ZINC000414920303 533718272 /nfs/dbraw/zinc/71/82/72/533718272.db2.gz XJCVJFDSBRWDAA-CYBMUJFWSA-N 2 0 297.240 2.989 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1cc2c(nn1)C[NH2+]C2 ZINC001243338870 782142918 /nfs/dbraw/zinc/14/29/18/782142918.db2.gz IOEMTXRJMQNPBE-UHFFFAOYSA-N 2 0 282.391 2.589 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000224589281 520423426 /nfs/dbraw/zinc/42/34/26/520423426.db2.gz PZXUMSAVMIUYFH-UONOGXRCSA-N 2 0 256.434 2.510 20 0 CFADRP CCC[C@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638852011 500672942 /nfs/dbraw/zinc/67/29/42/500672942.db2.gz TVUMDZMZJIMJIE-MRXNPFEDSA-N 2 0 264.413 2.653 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000414812219 533720831 /nfs/dbraw/zinc/72/08/31/533720831.db2.gz XGCCSYCAOWZUMG-GXTWGEPZSA-N 2 0 252.789 2.865 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423177706 533754315 /nfs/dbraw/zinc/75/43/15/533754315.db2.gz HOJKPKBLBHPMJV-HUHSQHJXSA-N 2 0 288.435 2.776 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000414346439 533756716 /nfs/dbraw/zinc/75/67/16/533756716.db2.gz VFCWVSXUGVXPMQ-VKZRIFJHSA-N 2 0 288.435 2.871 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1Cl ZINC000423134958 533768799 /nfs/dbraw/zinc/76/87/99/533768799.db2.gz NDWBZLASUJXVQF-DOMZBBRYSA-N 2 0 296.842 2.869 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)CCC[NH3+])ccc1Cl ZINC000423134902 533768940 /nfs/dbraw/zinc/76/89/40/533768940.db2.gz MWRBDQAPQNYZAU-LLVKDONJSA-N 2 0 270.804 2.608 20 0 CFADRP COc1cc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc(OC)c1 ZINC000414710764 533786270 /nfs/dbraw/zinc/78/62/70/533786270.db2.gz SNIRNIPSCUBRMS-ZIAGYGMSSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422894411 533792804 /nfs/dbraw/zinc/79/28/04/533792804.db2.gz CBSBGWIPGUFJJZ-KBPBESRZSA-N 2 0 282.815 2.887 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423166171 533805880 /nfs/dbraw/zinc/80/58/80/533805880.db2.gz QTUJNTBCPYVPHU-KZNAEPCWSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000422813282 533811548 /nfs/dbraw/zinc/81/15/48/533811548.db2.gz ZFSURIXTBUNIID-JTQLQIEISA-N 2 0 270.323 2.691 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(CC(C)C)CCCC1 ZINC000234712924 522287033 /nfs/dbraw/zinc/28/70/33/522287033.db2.gz DEUDTNJKPROUGE-OAHLLOKOSA-N 2 0 270.461 2.936 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1cccc(Cl)c1 ZINC000422950270 533845310 /nfs/dbraw/zinc/84/53/10/533845310.db2.gz VPGBMIYGLOYEEF-GFCCVEGCSA-N 2 0 270.804 2.826 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000423136745 533846157 /nfs/dbraw/zinc/84/61/57/533846157.db2.gz HLCUFZUYPMXJLK-HUUCEWRRSA-N 2 0 293.430 2.759 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423425897 533850403 /nfs/dbraw/zinc/85/04/03/533850403.db2.gz HINZGHCUJZYCMT-LVQVYYBASA-N 2 0 268.445 2.689 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422767756 533861438 /nfs/dbraw/zinc/86/14/38/533861438.db2.gz RKNBBVHFMSMJDB-UHFFFAOYSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423155212 533868758 /nfs/dbraw/zinc/86/87/58/533868758.db2.gz QHUJGZBAOOOBQW-SNVBAGLBSA-N 2 0 274.767 2.575 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423257667 533866760 /nfs/dbraw/zinc/86/67/60/533866760.db2.gz KPJKWRSWYREEPQ-NWDGAFQWSA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(C2CCCC2)c1 ZINC000423247627 533867509 /nfs/dbraw/zinc/86/75/09/533867509.db2.gz LMORAGNEFPZLNJ-UONOGXRCSA-N 2 0 276.428 2.648 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[NH2+]1 ZINC000422768356 533867759 /nfs/dbraw/zinc/86/77/59/533867759.db2.gz ULDHXVJKPBNRJP-BLLLJJGKSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@H]([NH2+]CCc1c(Cl)cccc1Cl)C1C[NH2+]C1 ZINC000422729066 533867833 /nfs/dbraw/zinc/86/78/33/533867833.db2.gz BDESMTJUHZGUKI-VIFPVBQESA-N 2 0 273.207 2.733 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422842968 533868526 /nfs/dbraw/zinc/86/85/26/533868526.db2.gz ZXQVCJVLSKJEKE-LLVKDONJSA-N 2 0 263.360 2.567 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OC1CCC1 ZINC000422913139 533871987 /nfs/dbraw/zinc/87/19/87/533871987.db2.gz OYWPJHZFXQTSLB-CYBMUJFWSA-N 2 0 262.397 2.835 20 0 CFADRP C[C@H]([NH2+]CCc1cccc2[nH]ccc21)[C@@H]1CCCC[NH2+]1 ZINC000423103930 533872343 /nfs/dbraw/zinc/87/23/43/533872343.db2.gz AXRAJRCIYIMJOQ-BBRMVZONSA-N 2 0 271.408 2.831 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423018613 533873026 /nfs/dbraw/zinc/87/30/26/533873026.db2.gz ZKQJFWVFEBPFLX-ZIAGYGMSSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@H]([NH2+]CCc1cccc2ccccc21)C1C[NH2+]C1 ZINC000422943823 533873510 /nfs/dbraw/zinc/87/35/10/533873510.db2.gz YRTBKPAGDJYUBU-ZDUSSCGKSA-N 2 0 254.377 2.580 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422793539 533869692 /nfs/dbraw/zinc/86/96/92/533869692.db2.gz SIUVBPJWBCXKDA-CHWSQXEVSA-N 2 0 252.427 2.884 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422810975 533869927 /nfs/dbraw/zinc/86/99/27/533869927.db2.gz SRUUVBWERYGFDG-CQSZACIVSA-N 2 0 269.392 2.966 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000415024628 533870402 /nfs/dbraw/zinc/87/04/02/533870402.db2.gz PGUYVKXUGOOVJR-MRVPVSSYSA-N 2 0 266.332 2.984 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000422902310 533870594 /nfs/dbraw/zinc/87/05/94/533870594.db2.gz MSOFCTCVFKULMD-PVAVHDDUSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414745084 533876786 /nfs/dbraw/zinc/87/67/86/533876786.db2.gz OWZRVGATLWNYKD-KGLIPLIRSA-N 2 0 264.388 2.954 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423253871 533884218 /nfs/dbraw/zinc/88/42/18/533884218.db2.gz WQUBFYFEDMHLFT-VXGBXAGGSA-N 2 0 282.815 2.999 20 0 CFADRP C[C@@H](OCCC[NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000422786102 533881238 /nfs/dbraw/zinc/88/12/38/533881238.db2.gz OLMYTNZSOZFFBR-LSDHHAIUSA-N 2 0 264.413 2.871 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423166436 533885812 /nfs/dbraw/zinc/88/58/12/533885812.db2.gz ZFKIGPDVJKBJSN-JLJPHGGASA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414878923 533901410 /nfs/dbraw/zinc/90/14/10/533901410.db2.gz IBIGWPGONDQQJU-MRVPVSSYSA-N 2 0 278.730 2.768 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414894758 533902838 /nfs/dbraw/zinc/90/28/38/533902838.db2.gz LRVXVVFUBFWUHS-SECBINFHSA-N 2 0 294.292 2.594 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414877836 533899636 /nfs/dbraw/zinc/89/96/36/533899636.db2.gz GMUMKKHAQKKJMV-LLVKDONJSA-N 2 0 262.328 2.913 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c2ccccc2n1 ZINC000423003083 533906210 /nfs/dbraw/zinc/90/62/10/533906210.db2.gz GVTDPWMXWKUHQY-CJNGLKHVSA-N 2 0 299.418 2.721 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)C1C[NH2+]C1 ZINC000422879046 533922153 /nfs/dbraw/zinc/92/21/53/533922153.db2.gz KCDZCLNOWUCKMZ-HNNXBMFYSA-N 2 0 296.414 2.963 20 0 CFADRP C[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422739941 533919827 /nfs/dbraw/zinc/91/98/27/533919827.db2.gz AUGGVKMSAJASQC-SUMWQHHRSA-N 2 0 293.430 2.508 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2cccnc21)[C@H]1CCC[NH2+]C1 ZINC000414849006 533931559 /nfs/dbraw/zinc/93/15/59/533931559.db2.gz HAHVQMBLRNCXKT-ZFWWWQNUSA-N 2 0 269.392 2.713 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423262070 533943481 /nfs/dbraw/zinc/94/34/81/533943481.db2.gz UEPQQMZDIREDEO-HIFRSBDPSA-N 2 0 292.471 2.987 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423204938 533975924 /nfs/dbraw/zinc/97/59/24/533975924.db2.gz AVWWLYUPCUIJSM-KKUMJFAQSA-N 2 0 275.440 2.791 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423207081 533981989 /nfs/dbraw/zinc/98/19/89/533981989.db2.gz GOSQNAHAMRMQPM-CHWSQXEVSA-N 2 0 282.378 2.875 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425347105 533988578 /nfs/dbraw/zinc/98/85/78/533988578.db2.gz XGTUDZHAJXMIAJ-YESZJQIVSA-N 2 0 290.476 2.992 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414823810 533991436 /nfs/dbraw/zinc/99/14/36/533991436.db2.gz DYLRSFKVAYVIIT-WBVHZDCISA-N 2 0 260.425 2.845 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000425361919 534000093 /nfs/dbraw/zinc/00/00/93/534000093.db2.gz SVHAJMCHGWEKPQ-HZPDHXFCSA-N 2 0 278.465 2.992 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902274 534003057 /nfs/dbraw/zinc/00/30/57/534003057.db2.gz HMRFENFVEVWZIP-ZIAGYGMSSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C[NH+](C)C ZINC000425941383 534054617 /nfs/dbraw/zinc/05/46/17/534054617.db2.gz ZELZBJJYFMUADK-SOLBZPMBSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C[NH+](C)C ZINC000425941382 534055094 /nfs/dbraw/zinc/05/50/94/534055094.db2.gz ZELZBJJYFMUADK-RYRKJORJSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](C[NH2+]CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414839663 534058248 /nfs/dbraw/zinc/05/82/48/534058248.db2.gz MEPWMRYHUHBAAW-NVXWUHKLSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000414892454 534058571 /nfs/dbraw/zinc/05/85/71/534058571.db2.gz PWRMTSUPNYZDIQ-HZMBPMFUSA-N 2 0 252.789 2.770 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423214780 534064080 /nfs/dbraw/zinc/06/40/80/534064080.db2.gz NCHURJWVFFZLSO-KJCRHPNGSA-N 2 0 274.383 2.932 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000422842518 534070841 /nfs/dbraw/zinc/07/08/41/534070841.db2.gz YOAPSSHPGVVRFM-SJLPKXTDSA-N 2 0 290.451 2.961 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423162712 534071869 /nfs/dbraw/zinc/07/18/69/534071869.db2.gz LSZQXZKADTTYDT-UKRRQHHQSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422927638 534072001 /nfs/dbraw/zinc/07/20/01/534072001.db2.gz ZJWCSEMKHMXPRT-CZUORRHYSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000414747062 534078081 /nfs/dbraw/zinc/07/80/81/534078081.db2.gz ROOCKKBMTCZATC-RYUDHWBXSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000415118123 534081212 /nfs/dbraw/zinc/08/12/12/534081212.db2.gz GWJLBGNVEJHSIN-BQFCYCMXSA-N 2 0 288.435 2.918 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423176544 534082630 /nfs/dbraw/zinc/08/26/30/534082630.db2.gz GJCRSEXJMKUXEB-MXWKQRLJSA-N 2 0 252.324 2.695 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000425361918 534112296 /nfs/dbraw/zinc/11/22/96/534112296.db2.gz SVHAJMCHGWEKPQ-HOTGVXAUSA-N 2 0 278.465 2.992 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000425362609 534117262 /nfs/dbraw/zinc/11/72/62/534117262.db2.gz VKGINFREYVJXHX-CVEARBPZSA-N 2 0 294.464 2.611 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000422771085 534123217 /nfs/dbraw/zinc/12/32/17/534123217.db2.gz VJHJZPGLLJHVTJ-MPKXVKKWSA-N 2 0 252.427 2.718 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203959 534131820 /nfs/dbraw/zinc/13/18/20/534131820.db2.gz DAKNMNHODQCLCP-SJLPKXTDSA-N 2 0 272.436 2.905 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423035309 534166071 /nfs/dbraw/zinc/16/60/71/534166071.db2.gz YRMVJGGURHPSTO-WMLDXEAASA-N 2 0 275.440 2.857 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000422793905 534176803 /nfs/dbraw/zinc/17/68/03/534176803.db2.gz YPCYMPIIUZBDNQ-YXAMBPQSSA-N 2 0 280.387 2.761 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000422748955 534180282 /nfs/dbraw/zinc/18/02/82/534180282.db2.gz WVPPPGAWHBADOR-MAUKXSAKSA-N 2 0 268.404 2.777 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccc(F)c1 ZINC000422777960 534180575 /nfs/dbraw/zinc/18/05/75/534180575.db2.gz DDGNBPWSFZRNAI-KBXCAEBGSA-N 2 0 286.394 2.916 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423079410 534208412 /nfs/dbraw/zinc/20/84/12/534208412.db2.gz AANWAOMBSKCCEJ-DOTOQJQBSA-N 3 0 293.499 2.761 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423213206 534266763 /nfs/dbraw/zinc/26/67/63/534266763.db2.gz MZVADWSCJITXHQ-UONOGXRCSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249960 534267274 /nfs/dbraw/zinc/26/72/74/534267274.db2.gz PQFHUXCZWNUWAQ-UONOGXRCSA-N 2 0 272.392 2.953 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423330183 534336180 /nfs/dbraw/zinc/33/61/80/534336180.db2.gz NIVJVPHYGKDFPL-LLVKDONJSA-N 2 0 296.436 2.575 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000376413475 518383191 /nfs/dbraw/zinc/38/31/91/518383191.db2.gz IYAKMLIFUQMNEK-UHFFFAOYSA-N 2 0 280.456 2.944 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCSC(C)C ZINC000423102503 534350299 /nfs/dbraw/zinc/35/02/99/534350299.db2.gz FJYGRHUNJLSBFD-LLVKDONJSA-N 2 0 267.442 2.641 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360972732 518394235 /nfs/dbraw/zinc/39/42/35/518394235.db2.gz CRFCQLWGOBTKDN-ULQDDVLXSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000166168838 519030762 /nfs/dbraw/zinc/03/07/62/519030762.db2.gz RHEBNTJGQJYQMJ-NSHDSACASA-N 2 0 252.427 2.826 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414826288 534419490 /nfs/dbraw/zinc/41/94/90/534419490.db2.gz FIZMMRANSBHYSJ-VIFPVBQESA-N 2 0 278.343 2.856 20 0 CFADRP FCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000423146635 534427604 /nfs/dbraw/zinc/42/76/04/534427604.db2.gz AZXOUUPTVWJMRL-OWCLPIDISA-N 2 0 298.446 2.653 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])CCC2 ZINC000423128296 534439030 /nfs/dbraw/zinc/43/90/30/534439030.db2.gz QAZIJBBFBDVXDI-NKGKWGDASA-N 2 0 288.435 2.714 20 0 CFADRP Fc1c(Cl)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824161 534438689 /nfs/dbraw/zinc/43/86/89/534438689.db2.gz AJHVDCZIXQGUFU-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000414825675 534440955 /nfs/dbraw/zinc/44/09/55/534440955.db2.gz HMAVYNNPYUGNCU-LLVKDONJSA-N 2 0 256.752 2.568 20 0 CFADRP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000414854620 534441144 /nfs/dbraw/zinc/44/11/44/534441144.db2.gz ULVKARGMBQFIGV-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)CCn1cccn1)C(C)C ZINC000158904776 519643859 /nfs/dbraw/zinc/64/38/59/519643859.db2.gz MBHSZAXEGWMVMU-MRXNPFEDSA-N 2 0 280.460 2.760 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)c2nccs2)CC1 ZINC000230694723 519672869 /nfs/dbraw/zinc/67/28/69/519672869.db2.gz VFLUWTHAJSTSFU-GFCCVEGCSA-N 2 0 267.442 2.709 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCn2cccn2)C1 ZINC000159126542 519722820 /nfs/dbraw/zinc/72/28/20/519722820.db2.gz RHJMIVUSVNIBFI-DLBZAZTESA-N 2 0 292.471 2.619 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000085399707 519760448 /nfs/dbraw/zinc/76/04/48/519760448.db2.gz XFYKOVLMJVDAQO-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000085401312 519761721 /nfs/dbraw/zinc/76/17/21/519761721.db2.gz UBLMRHMWNNDPEF-CVEARBPZSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000066152392 519762946 /nfs/dbraw/zinc/76/29/46/519762946.db2.gz RYDYISGTNHMKNI-MRXNPFEDSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC000070361853 519827454 /nfs/dbraw/zinc/82/74/54/519827454.db2.gz DMGPUGXXYQZIMD-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2CCC(OC)CC2)CC1 ZINC000360240698 519846483 /nfs/dbraw/zinc/84/64/83/519846483.db2.gz WJDMASPNNSISHU-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000312225835 519847247 /nfs/dbraw/zinc/84/72/47/519847247.db2.gz CEQBLQGBWINADM-OLZOCXBDSA-N 2 0 294.361 2.560 20 0 CFADRP CCC1CC([NH2+]CC2(SC)CC[NH+](C)CC2)C1 ZINC000353632423 519849994 /nfs/dbraw/zinc/84/99/94/519849994.db2.gz TUBDRIKADYYALI-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000365064751 519864047 /nfs/dbraw/zinc/86/40/47/519864047.db2.gz AXQYBBHYSXOCJN-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCCC[NH+](C)C)ccc2n1 ZINC000097861598 534468690 /nfs/dbraw/zinc/46/86/90/534468690.db2.gz MUMVWLIUIVSEFS-UHFFFAOYSA-N 2 0 271.408 2.975 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC[C@H]3CC[NH2+]C3)ccc2n1 ZINC000414840440 534468717 /nfs/dbraw/zinc/46/87/17/534468717.db2.gz XBZSBMBBLWGVMV-CQSZACIVSA-N 2 0 269.392 2.632 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@]1(C)CC[NH2+]C1 ZINC000340711207 520165406 /nfs/dbraw/zinc/16/54/06/520165406.db2.gz NQTKAOBEXWIQRE-OAHLLOKOSA-N 2 0 256.434 2.515 20 0 CFADRP CC1(C)CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000336131663 520284422 /nfs/dbraw/zinc/28/44/22/520284422.db2.gz LSBCKMBSOIRKJK-HZPDHXFCSA-N 2 0 280.456 2.533 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCCC2 ZINC000085677617 520362054 /nfs/dbraw/zinc/36/20/54/520362054.db2.gz DYJPAARSWWBFPS-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000052208679 520400387 /nfs/dbraw/zinc/40/03/87/520400387.db2.gz IMVBNHKCGUUSNK-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414847054 534490835 /nfs/dbraw/zinc/49/08/35/534490835.db2.gz NXSFLAMGOJDOCB-OWCLPIDISA-N 2 0 262.372 2.803 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)C12CCCC2 ZINC000085678484 520424492 /nfs/dbraw/zinc/42/44/92/520424492.db2.gz MJTHOEOAUDJGFR-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC2(OC)CCC2)CC1 ZINC000338910064 520586543 /nfs/dbraw/zinc/58/65/43/520586543.db2.gz APJOBMAUNIOAKV-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000365191379 520607748 /nfs/dbraw/zinc/60/77/48/520607748.db2.gz ROLSWZJWIFCDQW-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000354107366 520695620 /nfs/dbraw/zinc/69/56/20/520695620.db2.gz PXIVYXKMJIIHTM-SFHVURJKSA-N 2 0 290.451 2.928 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](COC)C1CC1 ZINC000361924310 520725309 /nfs/dbraw/zinc/72/53/09/520725309.db2.gz MKFUXKUQUMEUKP-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422940124 534524632 /nfs/dbraw/zinc/52/46/32/534524632.db2.gz ISIDEWMDENKRNN-ZACQAIPSSA-N 2 0 292.398 2.715 20 0 CFADRP CC1CCC(O)(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000305214840 520958389 /nfs/dbraw/zinc/95/83/89/520958389.db2.gz QVISMAGEFUAXOF-ADKAHSJRSA-N 2 0 294.483 2.735 20 0 CFADRP c1nc(C[NH2+]CC[C@@H]2CC[NH2+]C2)sc1-c1ccccc1 ZINC000414825680 534528444 /nfs/dbraw/zinc/52/84/44/534528444.db2.gz CTTGRIJZKBUDEB-ZDUSSCGKSA-N 2 0 287.432 2.899 20 0 CFADRP CCC(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373805407 521070854 /nfs/dbraw/zinc/07/08/54/521070854.db2.gz CTVMTIBXRUYVKB-UHFFFAOYSA-N 2 0 289.423 2.599 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300698088 521095744 /nfs/dbraw/zinc/09/57/44/521095744.db2.gz UHNHFDGCEYRVMY-ARFHVFGLSA-N 2 0 270.461 2.686 20 0 CFADRP CC[NH+]1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000360254148 521577097 /nfs/dbraw/zinc/57/70/97/521577097.db2.gz VBXKBPGEVKIGOW-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000163870350 521647333 /nfs/dbraw/zinc/64/73/33/521647333.db2.gz CFUJNKXQDHNBNF-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000155735502 521691902 /nfs/dbraw/zinc/69/19/02/521691902.db2.gz KGTADSDNKNEVEY-DLBZAZTESA-N 2 0 289.467 2.672 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000155640519 521694536 /nfs/dbraw/zinc/69/45/36/521694536.db2.gz OBWQUGNVMJXVBA-CABCVRRESA-N 2 0 295.496 2.733 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC000155690550 521694620 /nfs/dbraw/zinc/69/46/20/521694620.db2.gz UJHJTHRDVOPXDS-IAGOWNOFSA-N 2 0 289.467 2.672 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000246532168 521720958 /nfs/dbraw/zinc/72/09/58/521720958.db2.gz VLDQBMUHGLDPHJ-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)CCOCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000226745527 521795884 /nfs/dbraw/zinc/79/58/84/521795884.db2.gz ZOORPOOVCDNZEU-UHFFFAOYSA-N 2 0 290.451 2.881 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2(c3ccc(F)cc3)CC2)CC1 ZINC000422903802 534593804 /nfs/dbraw/zinc/59/38/04/534593804.db2.gz WPRXDZKVORPLAW-UHFFFAOYSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000414909528 534605455 /nfs/dbraw/zinc/60/54/55/534605455.db2.gz RLOOFRAGBXQCHO-UHFFFAOYSA-N 2 0 267.423 2.700 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423316007 534607238 /nfs/dbraw/zinc/60/72/38/534607238.db2.gz BKNPBJOVAJQHME-XJKSGUPXSA-N 2 0 280.387 2.622 20 0 CFADRP [NH3+]CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000414689947 534607872 /nfs/dbraw/zinc/60/78/72/534607872.db2.gz GYPIYZXEACETCW-UHFFFAOYSA-N 2 0 290.407 2.899 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000071146262 522091748 /nfs/dbraw/zinc/09/17/48/522091748.db2.gz YJBWUUANQILIOU-MRXNPFEDSA-N 2 0 276.424 2.614 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000156233985 522356322 /nfs/dbraw/zinc/35/63/22/522356322.db2.gz XIMMHEGNGJPJSK-MAUKXSAKSA-N 2 0 290.451 2.912 20 0 CFADRP Clc1cccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428036904 534646487 /nfs/dbraw/zinc/64/64/87/534646487.db2.gz RWBRLGOCVXBWRR-CZUORRHYSA-N 2 0 294.826 2.793 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)C ZINC000246287075 522563606 /nfs/dbraw/zinc/56/36/06/522563606.db2.gz BXSGPGXNSDCQHY-YESZJQIVSA-N 2 0 282.472 2.779 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000300096259 522668729 /nfs/dbraw/zinc/66/87/29/522668729.db2.gz FGYYDRGKWMLQEB-ZNMIVQPWSA-N 2 0 270.461 2.935 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000234807996 522668784 /nfs/dbraw/zinc/66/87/84/522668784.db2.gz RPPWOMPSXHWSPI-GXTWGEPZSA-N 2 0 298.427 2.706 20 0 CFADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000162946330 522748696 /nfs/dbraw/zinc/74/86/96/522748696.db2.gz QNHNCXCWWYQWEQ-SFHVURJKSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422939978 534663846 /nfs/dbraw/zinc/66/38/46/534663846.db2.gz MOPALXDREUPXKI-RDJZCZTQSA-N 2 0 260.425 2.953 20 0 CFADRP COCC(C)(C)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000339406264 522808822 /nfs/dbraw/zinc/80/88/22/522808822.db2.gz CYMXBHSRAOFBTA-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnn(C)c1 ZINC000158160394 522825721 /nfs/dbraw/zinc/82/57/21/522825721.db2.gz NXCOTXWBOXFSIH-QGZVFWFLSA-N 2 0 292.471 2.973 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000339411653 523042706 /nfs/dbraw/zinc/04/27/06/523042706.db2.gz ZWXDBOYZEGRBMJ-OWCLPIDISA-N 2 0 298.471 2.676 20 0 CFADRP C[N@@H+](Cc1cc(Cl)ccc1F)CC1CC[NH2+]CC1 ZINC000163924123 523174251 /nfs/dbraw/zinc/17/42/51/523174251.db2.gz JFWOIPBQWISDOS-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422760222 534716195 /nfs/dbraw/zinc/71/61/95/534716195.db2.gz GNYJUBBBRMIJII-CHWSQXEVSA-N 2 0 270.829 2.902 20 0 CFADRP CCn1nccc1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000366105778 523710621 /nfs/dbraw/zinc/71/06/21/523710621.db2.gz VXVOHXXCPQPXOJ-INIZCTEOSA-N 2 0 290.455 2.567 20 0 CFADRP Cn1cc(C[NH2+]CCCC[NH3+])c(-c2ccccc2Cl)n1 ZINC000414897196 534733459 /nfs/dbraw/zinc/73/34/59/534733459.db2.gz BGWIPEPOMFCFSF-UHFFFAOYSA-N 2 0 292.814 2.569 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)CC1 ZINC000336215826 523784568 /nfs/dbraw/zinc/78/45/68/523784568.db2.gz NQTVDCZIHAPSDT-INIZCTEOSA-N 2 0 299.418 2.992 20 0 CFADRP CO[C@@](C)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000361005354 523798182 /nfs/dbraw/zinc/79/81/82/523798182.db2.gz VGOJOJAFOZEMIO-KRWDZBQOSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC(C)(C)CC1 ZINC000335025985 523846801 /nfs/dbraw/zinc/84/68/01/523846801.db2.gz LRNBQXYYDZAIOS-ZDUSSCGKSA-N 2 0 256.459 2.688 20 0 CFADRP Cc1ncc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)s1 ZINC000414812806 534740752 /nfs/dbraw/zinc/74/07/52/534740752.db2.gz RUTRZBLHOKFWAG-SNVBAGLBSA-N 2 0 261.394 2.761 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000156694617 524004320 /nfs/dbraw/zinc/00/43/20/524004320.db2.gz XQBDHPNEYPUMHC-CQSZACIVSA-N 2 0 280.412 2.509 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc[nH]c3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360778900 524015952 /nfs/dbraw/zinc/01/59/52/524015952.db2.gz YPODLCOQANGPDA-FGTMMUONSA-N 2 0 281.403 2.749 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCOc3cccc4ccccc43)C[C@@H]2C1 ZINC000193599007 524017414 /nfs/dbraw/zinc/01/74/14/524017414.db2.gz GUIJFSUPBQABLK-CALCHBBNSA-N 2 0 296.414 2.712 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000151003758 524024373 /nfs/dbraw/zinc/02/43/73/524024373.db2.gz ATDATDOFGXFJKH-CQSZACIVSA-N 2 0 293.455 2.519 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000361330373 524051033 /nfs/dbraw/zinc/05/10/33/524051033.db2.gz FYBKVBUUZSKOFN-QGZVFWFLSA-N 2 0 288.435 2.654 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000045598306 524053035 /nfs/dbraw/zinc/05/30/35/524053035.db2.gz VEMBSNUFYIGGOP-UHFFFAOYSA-N 2 0 278.425 2.570 20 0 CFADRP C[C@H](CC1CC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000070101653 524097780 /nfs/dbraw/zinc/09/77/80/524097780.db2.gz KAKBLIMNUJLFFG-CYBMUJFWSA-N 2 0 259.397 2.829 20 0 CFADRP C[C@H]1CCC[C@@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193606817 524130897 /nfs/dbraw/zinc/13/08/97/524130897.db2.gz HBCNUOLSUJEQLB-YHUYYLMFSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000309206503 524138796 /nfs/dbraw/zinc/13/87/96/524138796.db2.gz BFLDFLYCOSTOED-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(Br)s1 ZINC000308868711 524139299 /nfs/dbraw/zinc/13/92/99/524139299.db2.gz RMXSVGSQDLZBDQ-SECBINFHSA-N 2 0 291.258 2.770 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228202640 524172939 /nfs/dbraw/zinc/17/29/39/524172939.db2.gz PZTDVQNMRHXIHE-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP COc1ccc(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000334995419 524176994 /nfs/dbraw/zinc/17/69/94/524176994.db2.gz DHVRHLKYFJAQOR-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422868392 534766960 /nfs/dbraw/zinc/76/69/60/534766960.db2.gz UZFSQPWUOKJZJQ-CYBMUJFWSA-N 2 0 284.407 2.583 20 0 CFADRP C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000163815625 524287948 /nfs/dbraw/zinc/28/79/48/524287948.db2.gz STDOWHVIDAJDNK-STQMWFEESA-N 2 0 282.815 2.636 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000092565964 524294323 /nfs/dbraw/zinc/29/43/23/524294323.db2.gz ZHNSMHHOAZYOPQ-ZACQAIPSSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335045015 524312565 /nfs/dbraw/zinc/31/25/65/524312565.db2.gz XGSPBRHHHKJOKT-SWLSCSKDSA-N 2 0 258.365 2.911 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)cn1 ZINC000339405452 524316020 /nfs/dbraw/zinc/31/60/20/524316020.db2.gz ACAMCBPRBQSNFW-INIZCTEOSA-N 2 0 263.429 2.628 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192754090 524316059 /nfs/dbraw/zinc/31/60/59/524316059.db2.gz DYMYYBVORRADDK-ALOPSCKCSA-N 2 0 288.435 2.897 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172191019 524399214 /nfs/dbraw/zinc/39/92/14/524399214.db2.gz DXBUMYYWUBFELB-BZSNNMDCSA-N 2 0 291.483 2.586 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000335235041 524439186 /nfs/dbraw/zinc/43/91/86/524439186.db2.gz CZMPJUUOSSDZPF-QZTJIDSGSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000311021692 524453926 /nfs/dbraw/zinc/45/39/26/524453926.db2.gz LUWMKZYYSVZUMN-STQMWFEESA-N 2 0 252.377 2.864 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc2cccnc21 ZINC000049553569 524476257 /nfs/dbraw/zinc/47/62/57/524476257.db2.gz GVRNPUMMCZUDIQ-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335045013 524529422 /nfs/dbraw/zinc/52/94/22/524529422.db2.gz XGSPBRHHHKJOKT-DOMZBBRYSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335015091 524529901 /nfs/dbraw/zinc/52/99/01/524529901.db2.gz XZQDZVJYDGAYAB-CZUORRHYSA-N 2 0 273.424 2.522 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000157594492 524548583 /nfs/dbraw/zinc/54/85/83/524548583.db2.gz XOERMRBYJFNXIP-SJORKVTESA-N 2 0 292.471 2.763 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360702332 524561978 /nfs/dbraw/zinc/56/19/78/524561978.db2.gz IVVVRHSYOZNWST-WMLDXEAASA-N 2 0 283.419 2.707 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)CCCO ZINC000227922322 524620604 /nfs/dbraw/zinc/62/06/04/524620604.db2.gz FJQBJUAPLPUHOQ-CABCVRRESA-N 2 0 270.461 2.686 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCO)C(C)(C)C ZINC000231076688 524621658 /nfs/dbraw/zinc/62/16/58/524621658.db2.gz XQKMILIBHBBUJW-ILXRZTDVSA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000334858414 524693815 /nfs/dbraw/zinc/69/38/15/524693815.db2.gz TWWRAZMTGVFANS-NHYWBVRUSA-N 2 0 289.810 2.976 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000422910239 534802716 /nfs/dbraw/zinc/80/27/16/534802716.db2.gz PXGMUYFWBKGJKP-LBPRGKRZSA-N 2 0 269.458 2.881 20 0 CFADRP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C1 ZINC000374169139 524706225 /nfs/dbraw/zinc/70/62/25/524706225.db2.gz DJKDGPCOOWUCNH-BDXSIMOUSA-N 2 0 294.483 2.734 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1F ZINC000335023909 524771487 /nfs/dbraw/zinc/77/14/87/524771487.db2.gz LBAUYYUGGMLPRR-XHDPSFHLSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1O ZINC000157673376 524783899 /nfs/dbraw/zinc/78/38/99/524783899.db2.gz CRWSELGFNUDKEB-HIFRSBDPSA-N 2 0 262.397 2.581 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415001687 534808081 /nfs/dbraw/zinc/80/80/81/534808081.db2.gz VLDWOTHUUXXEOZ-LSDHHAIUSA-N 2 0 292.471 2.862 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000336312089 524826382 /nfs/dbraw/zinc/82/63/82/524826382.db2.gz AZLLOPILEITVJB-NSHDSACASA-N 2 0 292.814 2.547 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCOc1ccccc1 ZINC000339409408 524896897 /nfs/dbraw/zinc/89/68/97/524896897.db2.gz MEMFSZXTGRCMJT-LSDHHAIUSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000315347954 524908390 /nfs/dbraw/zinc/90/83/90/524908390.db2.gz YGQUXIILDISWFL-GLJUWKHASA-N 2 0 298.434 2.895 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000315347957 524916521 /nfs/dbraw/zinc/91/65/21/524916521.db2.gz YGQUXIILDISWFL-LBTNJELSSA-N 2 0 298.434 2.895 20 0 CFADRP Cc1cccc2c(NCC[NH+]3CCCC3)c(C)c[nH+]c12 ZINC000360664991 524965612 /nfs/dbraw/zinc/96/56/12/524965612.db2.gz JHIUJADAVNEXSO-UHFFFAOYSA-N 2 0 269.392 2.781 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC([NH+](C)C)C1 ZINC000360695066 524966098 /nfs/dbraw/zinc/96/60/98/524966098.db2.gz NTMFJVRABLPQBH-UHFFFAOYSA-N 2 0 255.365 2.602 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361927668 524972144 /nfs/dbraw/zinc/97/21/44/524972144.db2.gz UGDNEKORSIMBBH-CJNGLKHVSA-N 2 0 264.388 2.606 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000168636193 525011508 /nfs/dbraw/zinc/01/15/08/525011508.db2.gz SEMZBOWFOUJEOZ-TZMCWYRMSA-N 2 0 271.364 2.511 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000311320580 525012495 /nfs/dbraw/zinc/01/24/95/525012495.db2.gz AEOCDDLQNZKDLL-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000311320583 525022337 /nfs/dbraw/zinc/02/23/37/525022337.db2.gz AEOCDDLQNZKDLL-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049553160 525162616 /nfs/dbraw/zinc/16/26/16/525162616.db2.gz IIQDJGLABUUPIS-CHWSQXEVSA-N 2 0 250.386 2.686 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339412590 525244408 /nfs/dbraw/zinc/24/44/08/525244408.db2.gz QASPAXPMFCGFAX-QGZVFWFLSA-N 2 0 276.424 2.906 20 0 CFADRP CSC1(C[NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000228019374 525331465 /nfs/dbraw/zinc/33/14/65/525331465.db2.gz KVTLXGWVJSNCNS-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000356188566 525333403 /nfs/dbraw/zinc/33/34/03/525333403.db2.gz FMVOJFLZGZHKNG-CQSZACIVSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000158567966 525335910 /nfs/dbraw/zinc/33/59/10/525335910.db2.gz BVXWWPLOKCFLSE-LUKYLMHMSA-N 2 0 282.472 2.759 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cncs2)CC[NH+](C)CC1 ZINC000353638275 525338211 /nfs/dbraw/zinc/33/82/11/525338211.db2.gz AXBOPVAQFAKOOH-LLVKDONJSA-N 2 0 285.482 2.621 20 0 CFADRP Cc1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192796210 525413972 /nfs/dbraw/zinc/41/39/72/525413972.db2.gz JXJYPLAZCXEMNR-ALOPSCKCSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000162775673 525435288 /nfs/dbraw/zinc/43/52/88/525435288.db2.gz FYTZBTGYXZKZTL-MRXNPFEDSA-N 2 0 290.451 2.913 20 0 CFADRP CSCCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000229211554 525437707 /nfs/dbraw/zinc/43/77/07/525437707.db2.gz MASZSRHSBXKGKK-UONOGXRCSA-N 2 0 250.411 2.864 20 0 CFADRP CSCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000172204516 525502980 /nfs/dbraw/zinc/50/29/80/525502980.db2.gz ALWYPLABTCGBTN-HUUCEWRRSA-N 2 0 270.486 2.936 20 0 CFADRP CSCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309951401 525505040 /nfs/dbraw/zinc/50/50/40/525505040.db2.gz GIXQKWJFLFPOCB-IRXDYDNUSA-N 2 0 290.476 2.803 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CC2 ZINC000229211164 525544751 /nfs/dbraw/zinc/54/47/51/525544751.db2.gz ZNHVEHXZHJXTDX-QGZVFWFLSA-N 2 0 290.451 2.872 20 0 CFADRP C[C@@H](O)C[C@H](C)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000361034028 525835252 /nfs/dbraw/zinc/83/52/52/525835252.db2.gz WFBKUCGTZAMYQJ-JKSUJKDBSA-N 2 0 292.467 2.894 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000222075644 526005730 /nfs/dbraw/zinc/00/57/30/526005730.db2.gz GQBQUNJNQGUIRF-SWLSCSKDSA-N 2 0 264.438 2.838 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980926 526058091 /nfs/dbraw/zinc/05/80/91/526058091.db2.gz QZCADKVYXUGZJZ-ZFWWWQNUSA-N 2 0 292.398 2.574 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)ccc2n1 ZINC000334841522 526232266 /nfs/dbraw/zinc/23/22/66/526232266.db2.gz OGCGPVUGIZGZGL-BLLLJJGKSA-N 2 0 269.392 2.631 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)ccc2n1 ZINC000334868477 526232899 /nfs/dbraw/zinc/23/28/99/526232899.db2.gz KAGVRKGHMBZBSR-XJKSGUPXSA-N 2 0 269.392 2.773 20 0 CFADRP FC1(F)CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335024574 526274213 /nfs/dbraw/zinc/27/42/13/526274213.db2.gz ZWVRDSIBCRLCIN-FUNVUKJBSA-N 2 0 258.356 2.685 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000192353368 526365532 /nfs/dbraw/zinc/36/55/32/526365532.db2.gz FOGKMOBPNPHLFJ-INIZCTEOSA-N 2 0 274.408 2.845 20 0 CFADRP c1c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)onc1-c1ccccc1 ZINC000336119907 526397634 /nfs/dbraw/zinc/39/76/34/526397634.db2.gz NFTTWHJZDWIXNW-UHFFFAOYSA-N 2 0 297.402 2.917 20 0 CFADRP c1cc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000360453321 526420604 /nfs/dbraw/zinc/42/06/04/526420604.db2.gz DCGMKFFRVQIXOP-GOSISDBHSA-N 2 0 287.451 2.822 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000340696036 526485042 /nfs/dbraw/zinc/48/50/42/526485042.db2.gz GZUGLDGVAWNXKB-GOSISDBHSA-N 2 0 288.435 2.921 20 0 CFADRP c1ccc2c(c1)CCO[C@@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157924385 526505395 /nfs/dbraw/zinc/50/53/95/526505395.db2.gz VDJWAAGSQFFHKO-LZLYRXPVSA-N 2 0 286.419 2.517 20 0 CFADRP c1csc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867999 526578690 /nfs/dbraw/zinc/57/86/90/526578690.db2.gz HNRUZLZEYQBCSW-OCCSQVGLSA-N 2 0 250.411 2.712 20 0 CFADRP c1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334868000 526579508 /nfs/dbraw/zinc/57/95/08/526579508.db2.gz HNRUZLZEYQBCSW-TZMCWYRMSA-N 2 0 250.411 2.712 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000336053679 526586671 /nfs/dbraw/zinc/58/66/71/526586671.db2.gz BRGVTZSHRSNVMB-STQMWFEESA-N 2 0 250.411 2.885 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334867993 526715834 /nfs/dbraw/zinc/71/58/34/526715834.db2.gz HNKBCXBIBAHPSC-ZIAGYGMSSA-N 2 0 279.453 2.724 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000415089028 526741050 /nfs/dbraw/zinc/74/10/50/526741050.db2.gz XCQGCFUMLGUSNG-PPWQZUPISA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414842987 526821795 /nfs/dbraw/zinc/82/17/95/526821795.db2.gz ZYWBMCYIQNGINR-LLVKDONJSA-N 2 0 267.442 2.530 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422741494 526831175 /nfs/dbraw/zinc/83/11/75/526831175.db2.gz ONLNCCNNXHIRGA-VXGBXAGGSA-N 2 0 281.469 2.700 20 0 CFADRP Clc1cccc(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360563641 526980614 /nfs/dbraw/zinc/98/06/14/526980614.db2.gz OYHBUJWROCYEBF-MRXNPFEDSA-N 2 0 294.826 2.794 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)cc2s1 ZINC000334867394 527139541 /nfs/dbraw/zinc/13/95/41/527139541.db2.gz DMXJHCYERIPCMP-MFKMUULPSA-N 2 0 275.421 2.835 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423176889 527177406 /nfs/dbraw/zinc/17/74/06/527177406.db2.gz GMOZDKUPYFGUGZ-BRWVUGGUSA-N 2 0 287.451 2.870 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000084222321 527216401 /nfs/dbraw/zinc/21/64/01/527216401.db2.gz GEOCQCCCHOECBO-GZMMTYOYSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCC3CCOCC3)C[C@H]21 ZINC000312231840 527354554 /nfs/dbraw/zinc/35/45/54/527354554.db2.gz LASXCDQOSHRHKO-BRWVUGGUSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000334865694 527364415 /nfs/dbraw/zinc/36/44/15/527364415.db2.gz LIHQVVAMERRZJQ-CVEARBPZSA-N 2 0 294.826 2.668 20 0 CFADRP Cn1cccc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000360095046 527396969 /nfs/dbraw/zinc/39/69/69/527396969.db2.gz DJIGPFXQGSQBSW-CJNGLKHVSA-N 2 0 289.448 2.869 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086404385 527403124 /nfs/dbraw/zinc/40/31/24/527403124.db2.gz RRPBQSHSORWFML-VHSXEESVSA-N 2 0 289.242 2.870 20 0 CFADRP C(C[NH2+]C1CCCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000414815926 527484065 /nfs/dbraw/zinc/48/40/65/527484065.db2.gz VKKRBPCNTNBSNW-ZDUSSCGKSA-N 2 0 256.459 2.642 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172577693 527487160 /nfs/dbraw/zinc/48/71/60/527487160.db2.gz ZUYUMRXJGCEDOO-OAHLLOKOSA-N 2 0 293.480 2.944 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000305366626 527532737 /nfs/dbraw/zinc/53/27/37/527532737.db2.gz VVUTUDLYCODTQK-HZPDHXFCSA-N 2 0 280.456 2.536 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423130915 527628727 /nfs/dbraw/zinc/62/87/27/527628727.db2.gz HBFFCMKEGQABFJ-SVXVCFNTSA-N 2 0 280.456 2.558 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422802756 527731367 /nfs/dbraw/zinc/73/13/67/527731367.db2.gz CAIKABDGPZPNMY-DYVFJYSZSA-N 2 0 293.455 2.951 20 0 CFADRP CCC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](CCC[NH3+])COC ZINC000423153851 527744026 /nfs/dbraw/zinc/74/40/26/527744026.db2.gz IFIJKHMUJBDOIF-PMPSAXMXSA-N 2 0 270.461 2.936 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422891547 527753395 /nfs/dbraw/zinc/75/33/95/527753395.db2.gz VUECQXSWTWBIPO-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000161866990 527754317 /nfs/dbraw/zinc/75/43/17/527754317.db2.gz YGBUMESUJFUPPE-IAGOWNOFSA-N 2 0 281.488 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c[nH]nc3c2)[C@H](C)C1 ZINC000130480186 527756532 /nfs/dbraw/zinc/75/65/32/527756532.db2.gz JFUPMHCEQKBAOL-CXAGYDPISA-N 2 0 286.423 2.725 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCC[NH3+])C[C@@H]1Oc1ccccc1 ZINC000423338100 527828596 /nfs/dbraw/zinc/82/85/96/527828596.db2.gz VQYBKYSSRNFURL-GJZGRUSLSA-N 2 0 262.397 2.561 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@@H]2CCCO[C@H]21 ZINC000423206902 527867592 /nfs/dbraw/zinc/86/75/92/527867592.db2.gz XECVOMRGOTWUKP-RRFJBIMHSA-N 2 0 280.456 2.831 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)[C@H](C)C1 ZINC000414263561 527880310 /nfs/dbraw/zinc/88/03/10/527880310.db2.gz KEMSJRWOLPOYGM-HIFRSBDPSA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423124057 527894120 /nfs/dbraw/zinc/89/41/20/527894120.db2.gz LWDUNVZNNNGFNM-JKSUJKDBSA-N 2 0 274.408 2.574 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])C12CCCCC2 ZINC000422921514 527951384 /nfs/dbraw/zinc/95/13/84/527951384.db2.gz QFPVJTRNXACSSS-QLFBSQMISA-N 2 0 268.445 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919590 527951701 /nfs/dbraw/zinc/95/17/01/527951701.db2.gz KCNDWHCDSKVAHM-FXUDXRNXSA-N 2 0 280.456 2.844 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000422805668 527951843 /nfs/dbraw/zinc/95/18/43/527951843.db2.gz MMGNUHXMGJMBTJ-FXUDXRNXSA-N 2 0 280.456 2.702 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422874277 527961063 /nfs/dbraw/zinc/96/10/63/527961063.db2.gz COXAENFVAVOCNH-CYBMUJFWSA-N 2 0 277.412 2.642 20 0 CFADRP CC1(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC[NH2+]CC1 ZINC000414901280 527981406 /nfs/dbraw/zinc/98/14/06/527981406.db2.gz JMLUMBCZZYACHA-UHFFFAOYSA-N 2 0 294.826 2.754 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423141518 528001252 /nfs/dbraw/zinc/00/12/52/528001252.db2.gz QMWDFVMUHHSRLN-LZLYRXPVSA-N 2 0 291.483 2.655 20 0 CFADRP CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422961551 528010452 /nfs/dbraw/zinc/01/04/52/528010452.db2.gz ZDWRJMZRBKFSMA-JKSUJKDBSA-N 2 0 297.487 2.535 20 0 CFADRP CC1(F)CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423145916 528017361 /nfs/dbraw/zinc/01/73/61/528017361.db2.gz NDKMSOWMNGAYAL-KSDPFWLUSA-N 2 0 254.393 2.777 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422811547 528050455 /nfs/dbraw/zinc/05/04/55/528050455.db2.gz PDMVQNZCEAYNEY-SOUVJXGZSA-N 2 0 256.434 2.558 20 0 CFADRP CC(C)c1ccc(CCC[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422771697 528086327 /nfs/dbraw/zinc/08/63/27/528086327.db2.gz YGHXQPYZHCEJSK-CQSZACIVSA-N 2 0 260.425 2.940 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000422800416 528097063 /nfs/dbraw/zinc/09/70/63/528097063.db2.gz BOUXSOWAFGTHMX-FVPDABNVSA-N 2 0 278.440 2.597 20 0 CFADRP CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423099489 528125364 /nfs/dbraw/zinc/12/53/64/528125364.db2.gz AQFNJUGYUCZTBX-KGLIPLIRSA-N 2 0 276.424 2.775 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423482039 528132852 /nfs/dbraw/zinc/13/28/52/528132852.db2.gz XMOYODXPKFUJEZ-XUWVNRHRSA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414826671 528134280 /nfs/dbraw/zinc/13/42/80/528134280.db2.gz GAECMWQPGWYNIN-RKVPGOIHSA-N 2 0 289.467 2.788 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423244795 528135773 /nfs/dbraw/zinc/13/57/73/528135773.db2.gz NZXRFKGEPNVGGW-CJNGLKHVSA-N 2 0 263.429 2.527 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC000414825489 528135880 /nfs/dbraw/zinc/13/58/80/528135880.db2.gz CHQYPJWICOZXMU-JLSDUUJJSA-N 2 0 289.467 2.930 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824958 528161820 /nfs/dbraw/zinc/16/18/20/528161820.db2.gz BNELLGYGWPVDIJ-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414905319 528162264 /nfs/dbraw/zinc/16/22/64/528162264.db2.gz OKZIEHBBMIFCDJ-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422739334 528184445 /nfs/dbraw/zinc/18/44/45/528184445.db2.gz LCGMUUVJGQZANE-CQSZACIVSA-N 2 0 264.413 2.938 20 0 CFADRP CCC[NH+]1CCC(NCC[NH2+]C2CCCCCC2)CC1 ZINC000414797584 528202904 /nfs/dbraw/zinc/20/29/04/528202904.db2.gz BGUAUCVUWFPBHZ-UHFFFAOYSA-N 2 0 281.488 2.763 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000417308139 528219756 /nfs/dbraw/zinc/21/97/56/528219756.db2.gz FKGFCDRPENRFAI-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000422877300 528240794 /nfs/dbraw/zinc/24/07/94/528240794.db2.gz HMYBXOOBGWFBNW-CHWSQXEVSA-N 2 0 262.397 2.732 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422874889 528246575 /nfs/dbraw/zinc/24/65/75/528246575.db2.gz OESXIIIPPITDPO-GDBMZVCRSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415048741 528257410 /nfs/dbraw/zinc/25/74/10/528257410.db2.gz XHMNHNFLDACXAN-ZFWWWQNUSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000422896546 528272433 /nfs/dbraw/zinc/27/24/33/528272433.db2.gz AJQMNCOAAIMNHI-GXTWGEPZSA-N 2 0 281.469 2.916 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cs1 ZINC000422903692 528272586 /nfs/dbraw/zinc/27/25/86/528272586.db2.gz OWEKARXCANWJMU-TZMCWYRMSA-N 2 0 281.469 2.787 20 0 CFADRP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000422966914 528278774 /nfs/dbraw/zinc/27/87/74/528278774.db2.gz AVHJXKJAOZFRGU-VFSICIBPSA-N 2 0 291.439 2.535 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OC(F)F ZINC000414888926 528279318 /nfs/dbraw/zinc/27/93/18/528279318.db2.gz SASVGDOPRZHWPD-JTQLQIEISA-N 2 0 288.338 2.514 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423143343 528315634 /nfs/dbraw/zinc/31/56/34/528315634.db2.gz CQWUGUZMBSMPAO-HOTGVXAUSA-N 2 0 269.477 2.604 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+])O[C@H](C)C2 ZINC000422790531 528341591 /nfs/dbraw/zinc/34/15/91/528341591.db2.gz UXNFHQJUFCFORA-JHJVBQTASA-N 2 0 292.423 2.624 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(C2C[NH+](C3CCCCC3)C2)n1 ZINC000414609493 528350708 /nfs/dbraw/zinc/35/07/08/528350708.db2.gz AIPUQVFAUYDVGS-CQSZACIVSA-N 2 0 292.427 2.847 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000415019010 528351806 /nfs/dbraw/zinc/35/18/06/528351806.db2.gz VGTHWVBTSYYALC-NSHDSACASA-N 2 0 255.431 2.874 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423187232 528357676 /nfs/dbraw/zinc/35/76/76/528357676.db2.gz XNPDEYBKFHQWCW-GOSISDBHSA-N 2 0 289.467 2.659 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423171834 528411810 /nfs/dbraw/zinc/41/18/10/528411810.db2.gz QEDSJLBUGVFSGG-OXGONZEZSA-N 2 0 250.430 2.931 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000414832146 528456470 /nfs/dbraw/zinc/45/64/70/528456470.db2.gz DWKHHSXMCWRBMK-CYBMUJFWSA-N 2 0 280.387 2.704 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414989516 528457824 /nfs/dbraw/zinc/45/78/24/528457824.db2.gz HGXKDWWUOLYWGC-DZGCQCFKSA-N 2 0 292.423 2.701 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422785202 528460047 /nfs/dbraw/zinc/46/00/47/528460047.db2.gz MWBJBNIPRLPPIF-NVXWUHKLSA-N 2 0 275.440 2.620 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1Cl ZINC000423106699 528460164 /nfs/dbraw/zinc/46/01/64/528460164.db2.gz OTVGGBWVMOIVES-AAEUAGOBSA-N 2 0 282.815 2.826 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422737144 528469895 /nfs/dbraw/zinc/46/98/95/528469895.db2.gz HQBHMYSVVRRMHA-BBWFWOEESA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344373 528493578 /nfs/dbraw/zinc/49/35/78/528493578.db2.gz MQHMHWVDRCHTDY-QGZVFWFLSA-N 2 0 258.409 2.763 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422811677 528498399 /nfs/dbraw/zinc/49/83/99/528498399.db2.gz VCDUSEGUNXWAAS-XWTMOSNGSA-N 2 0 296.499 2.932 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422811676 528498840 /nfs/dbraw/zinc/49/88/40/528498840.db2.gz VCDUSEGUNXWAAS-XLAORIBOSA-N 2 0 296.499 2.932 20 0 CFADRP CCN(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1C ZINC000422887433 528516357 /nfs/dbraw/zinc/51/63/57/528516357.db2.gz YPVJWDHQDAEJPR-HUUCEWRRSA-N 2 0 263.429 2.537 20 0 CFADRP CC(C)[C@@H]([NH3+])CNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414802824 528529298 /nfs/dbraw/zinc/52/92/98/528529298.db2.gz VZCSFVCLKIPPMO-KRWDZBQOSA-N 2 0 291.483 2.718 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422696202 528598215 /nfs/dbraw/zinc/59/82/15/528598215.db2.gz QYVOSTGCPYVELB-CQSZACIVSA-N 2 0 264.413 2.830 20 0 CFADRP CCCOCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422698495 528598350 /nfs/dbraw/zinc/59/83/50/528598350.db2.gz ZNUCLIPOJQCFHY-JWTNVVGKSA-N 2 0 288.435 2.986 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1OCC ZINC000422756039 528605869 /nfs/dbraw/zinc/60/58/69/528605869.db2.gz LAFDOAPSFVUWJT-ZDUSSCGKSA-N 2 0 292.423 2.887 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000423245495 528636989 /nfs/dbraw/zinc/63/69/89/528636989.db2.gz JBSJGDLNNYPDKG-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000422816275 528641936 /nfs/dbraw/zinc/64/19/36/528641936.db2.gz DWZBPKJHSMLRJF-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000422820521 528642522 /nfs/dbraw/zinc/64/25/22/528642522.db2.gz RALPRWUOGSIHHK-HZSPNIEDSA-N 2 0 256.434 2.687 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1(C)C ZINC000422819907 528643212 /nfs/dbraw/zinc/64/32/12/528643212.db2.gz OFKXVRUCZWAVBP-YHUYYLMFSA-N 2 0 282.472 2.948 20 0 CFADRP CCCc1csc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000426394841 528658841 /nfs/dbraw/zinc/65/88/41/528658841.db2.gz GMCSURQVCLSKJI-UHFFFAOYSA-N 2 0 281.469 2.869 20 0 CFADRP CCCc1csc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414786807 528662724 /nfs/dbraw/zinc/66/27/24/528662724.db2.gz UWMZRUUNIRKELC-KGLIPLIRSA-N 2 0 293.480 2.917 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414838433 528675654 /nfs/dbraw/zinc/67/56/54/528675654.db2.gz WSHLYWNUZGKGQG-INIZCTEOSA-N 2 0 276.424 2.955 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414796571 528687797 /nfs/dbraw/zinc/68/77/97/528687797.db2.gz OHAPCDUCBLEHAZ-GOEBONIOSA-N 2 0 262.397 2.692 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422828218 528689029 /nfs/dbraw/zinc/68/90/29/528689029.db2.gz NYOHJAHFMZWKGQ-CHWSQXEVSA-N 2 0 280.412 2.699 20 0 CFADRP CCOc1cccc2cc([C@H](C)[NH2+]CCC[NH3+])oc21 ZINC000423197078 528699228 /nfs/dbraw/zinc/69/92/28/528699228.db2.gz XPXBEIUTQUTTPJ-NSHDSACASA-N 2 0 262.353 2.831 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000428466195 528720077 /nfs/dbraw/zinc/72/00/77/528720077.db2.gz WIRCVXZQJSYROS-UHFFFAOYSA-N 2 0 279.428 2.709 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000423125374 528734544 /nfs/dbraw/zinc/73/45/44/528734544.db2.gz HXAPQETUAFCGNV-NSHDSACASA-N 2 0 253.390 2.543 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])[NH+]1CCCC1 ZINC000422819499 528822757 /nfs/dbraw/zinc/82/27/57/528822757.db2.gz NBABSGQHNPFZSD-GOEBONIOSA-N 3 0 269.477 2.604 20 0 CFADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422855840 528836823 /nfs/dbraw/zinc/83/68/23/528836823.db2.gz FIZBPFDBPQPLPE-HNNXBMFYSA-N 3 0 277.456 2.744 20 0 CFADRP CCC(CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814889 528855271 /nfs/dbraw/zinc/85/52/71/528855271.db2.gz AKABWNIUGKSYGR-PVAVHDDUSA-N 2 0 281.488 2.617 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCCC1 ZINC000422815477 528856867 /nfs/dbraw/zinc/85/68/67/528856867.db2.gz BWIKULHHJSAXAZ-SZMVWBNQSA-N 2 0 295.515 2.865 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000422819303 528857186 /nfs/dbraw/zinc/85/71/86/528857186.db2.gz MPOJGOBAOMXEJG-ULQDDVLXSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)[NH+](CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000422768649 528906875 /nfs/dbraw/zinc/90/68/75/528906875.db2.gz ZLISRRXLOAZMHE-AEFFLSMTSA-N 2 0 291.483 2.653 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414119746 528968153 /nfs/dbraw/zinc/96/81/53/528968153.db2.gz WSOKEVFUUOHUSM-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423335831 529028716 /nfs/dbraw/zinc/02/87/16/529028716.db2.gz XKNNOCKPIMBUGX-IRXDYDNUSA-N 2 0 276.424 2.555 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423299696 529031594 /nfs/dbraw/zinc/03/15/94/529031594.db2.gz QLEPWLKCTKGOCY-WFASDCNBSA-N 2 0 252.377 2.577 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423267349 529071261 /nfs/dbraw/zinc/07/12/61/529071261.db2.gz FJRVCGBVTLYIPE-UAGQMJEPSA-N 2 0 276.424 2.727 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1OC ZINC000422936111 529111573 /nfs/dbraw/zinc/11/15/73/529111573.db2.gz IAPDQOHDCQQSBJ-GBJTYRQASA-N 2 0 268.445 2.687 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193130687 529148695 /nfs/dbraw/zinc/14/86/95/529148695.db2.gz WDBXZCZIXIBCKT-IKGGRYGDSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(C)ccc1OC ZINC000423349246 529158113 /nfs/dbraw/zinc/15/81/13/529158113.db2.gz WFRRSQGRVVRLDH-MRXNPFEDSA-N 2 0 274.408 2.964 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422894221 529162475 /nfs/dbraw/zinc/16/24/75/529162475.db2.gz BQTMUUMNFIONAZ-SJORKVTESA-N 2 0 292.423 2.584 20 0 CFADRP CC[C@@H]([NH2+]CCCc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422944701 529163373 /nfs/dbraw/zinc/16/33/73/529163373.db2.gz LZHBTUWKOYRLMX-SJORKVTESA-N 2 0 276.424 2.748 20 0 CFADRP CC[C@@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422775794 529164713 /nfs/dbraw/zinc/16/47/13/529164713.db2.gz CJJAAOHMVGNIMR-CABCVRRESA-N 2 0 286.423 2.547 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414185969 529168186 /nfs/dbraw/zinc/16/81/86/529168186.db2.gz OVBHNWMJLMISFH-DZGCQCFKSA-N 2 0 279.403 2.993 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014251 529174892 /nfs/dbraw/zinc/17/48/92/529174892.db2.gz LYEALQUKSSAMHK-LBPRGKRZSA-N 2 0 252.377 2.995 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422910494 529176634 /nfs/dbraw/zinc/17/66/34/529176634.db2.gz QSTUDHJRXXMJIS-UAGQMJEPSA-N 2 0 258.409 2.837 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422831820 529209386 /nfs/dbraw/zinc/20/93/86/529209386.db2.gz FEZAVZASEVIAHV-FIBILERRSA-N 2 0 268.470 2.923 20 0 CFADRP CCSc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305482 529246929 /nfs/dbraw/zinc/24/69/29/529246929.db2.gz QTACSRBKCOVEEP-LLVKDONJSA-N 2 0 250.411 2.669 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422727334 529273853 /nfs/dbraw/zinc/27/38/53/529273853.db2.gz HFAZENOIONRUJA-OAGGEKHMSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422909336 529297789 /nfs/dbraw/zinc/29/77/89/529297789.db2.gz NUNKJNKLEUQRIV-BZUAXINKSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)CCC[NH3+])C1 ZINC000422902880 529298145 /nfs/dbraw/zinc/29/81/45/529298145.db2.gz DVRHOCVDPUFNMP-HUUCEWRRSA-N 2 0 269.477 2.604 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415028520 529326794 /nfs/dbraw/zinc/32/67/94/529326794.db2.gz YZIDNXYXUKUSQT-FPCVCCKLSA-N 2 0 268.445 2.546 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1ccccc1C ZINC000422923263 529368847 /nfs/dbraw/zinc/36/88/47/529368847.db2.gz VSJOGAISOHALIL-QLFBSQMISA-N 2 0 262.397 2.622 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922719 529370017 /nfs/dbraw/zinc/37/00/17/529370017.db2.gz UENLDORHYORZEH-RRFJBIMHSA-N 2 0 264.413 2.868 20 0 CFADRP CC(C)(C)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1O ZINC000444607643 535081697 /nfs/dbraw/zinc/08/16/97/535081697.db2.gz JLMBUUBLUJTRPB-CVEARBPZSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000449560601 535090534 /nfs/dbraw/zinc/09/05/34/535090534.db2.gz NFAPZAPJKQNIIL-HZTRTUMWSA-N 2 0 290.455 2.610 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453052223 535520154 /nfs/dbraw/zinc/52/01/54/535520154.db2.gz CCLAJDDBKDCHSM-CABCVRRESA-N 2 0 278.444 2.508 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000449746307 535671968 /nfs/dbraw/zinc/67/19/68/535671968.db2.gz RCZDRVBFLZJOPQ-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)s2)CC1 ZINC000449755777 535674362 /nfs/dbraw/zinc/67/43/62/535674362.db2.gz UWGSRCOKVZHFDQ-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP CC[N@H+](CCN(C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613467 535727842 /nfs/dbraw/zinc/72/78/42/535727842.db2.gz JZWKEHWMCQNZPZ-QGZVFWFLSA-N 2 0 275.440 2.587 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(OC)cc1 ZINC000268865009 535803584 /nfs/dbraw/zinc/80/35/84/535803584.db2.gz ZSWUPRIQTDMBCJ-QGZVFWFLSA-N 2 0 294.439 2.704 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](C)O ZINC000449536152 535893815 /nfs/dbraw/zinc/89/38/15/535893815.db2.gz FARDFUODWXUEKI-CJNGLKHVSA-N 2 0 268.445 2.533 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)CCO1 ZINC000449526919 535899812 /nfs/dbraw/zinc/89/98/12/535899812.db2.gz FXXWVYJOYQFDLU-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658549 535900916 /nfs/dbraw/zinc/90/09/16/535900916.db2.gz KWIGDCBNXYTOLF-CZUORRHYSA-N 2 0 273.380 2.629 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000444636792 536356971 /nfs/dbraw/zinc/35/69/71/536356971.db2.gz OGJRINLARHLETF-UONOGXRCSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000459783525 536384367 /nfs/dbraw/zinc/38/43/67/536384367.db2.gz NKBFYIXZPSZUJR-OAHLLOKOSA-N 2 0 290.455 2.820 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000268864754 536676623 /nfs/dbraw/zinc/67/66/23/536676623.db2.gz CKVXQYMFPMUGSI-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCC1 ZINC000446741329 536716154 /nfs/dbraw/zinc/71/61/54/536716154.db2.gz MDIKXKCXNJPKIP-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000166683209 545497646 /nfs/dbraw/zinc/49/76/46/545497646.db2.gz YYDBZDUGPQFYQZ-DLBZAZTESA-N 2 0 288.435 2.763 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCCO)C[C@H]1C ZINC000744404141 574072832 /nfs/dbraw/zinc/07/28/32/574072832.db2.gz IEWXEDRJJKVPDW-HZPDHXFCSA-N 2 0 270.461 2.734 20 0 CFADRP c1cc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2[nH]1 ZINC000299895398 574207967 /nfs/dbraw/zinc/20/79/67/574207967.db2.gz VQVAROVVPDZSND-CVEARBPZSA-N 2 0 269.392 2.884 20 0 CFADRP C[C@@H](CC[NH2+]C1CSC1)[N@H+](C)Cc1ccccc1 ZINC000396467911 574355500 /nfs/dbraw/zinc/35/55/00/574355500.db2.gz XWBSYNQNXKJKIC-ZDUSSCGKSA-N 2 0 264.438 2.602 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000396491241 574355524 /nfs/dbraw/zinc/35/55/24/574355524.db2.gz NGZMPSWFOGGFFV-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3cc(OC)ccc32)[C@@H](C)C1 ZINC000804795694 617884576 /nfs/dbraw/zinc/88/45/76/617884576.db2.gz WVYXMRPCPNRJKC-ZDUSSCGKSA-N 2 0 285.391 2.774 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277841 617632230 /nfs/dbraw/zinc/63/22/30/617632230.db2.gz ZWXVJFLYFQWYLC-OAHLLOKOSA-N 2 0 294.487 2.734 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000253113888 617683476 /nfs/dbraw/zinc/68/34/76/617683476.db2.gz DZMCKGBJERVBAN-JOCQHMNTSA-N 2 0 252.427 2.911 20 0 CFADRP COCCCC1(C[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000891664232 617700817 /nfs/dbraw/zinc/70/08/17/617700817.db2.gz BINAACBWQGXLAW-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933741359 617766791 /nfs/dbraw/zinc/76/67/91/617766791.db2.gz UNYYEVJTSCXTJY-HYVNUMGLSA-N 2 0 258.409 2.674 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926254344 617780853 /nfs/dbraw/zinc/78/08/53/617780853.db2.gz IFQVAHKVYGGWMU-CABCVRRESA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H]1CC[C@@H](C)C1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926305199 617856380 /nfs/dbraw/zinc/85/63/80/617856380.db2.gz ATYYKXUERXFGRX-CHWSQXEVSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311508 617879280 /nfs/dbraw/zinc/87/92/80/617879280.db2.gz YVULNWGJFDEGEA-NVXWUHKLSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cc(N)nc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000891963592 617881772 /nfs/dbraw/zinc/88/17/72/617881772.db2.gz KCPFSRUKNGRURQ-DZGCQCFKSA-N 2 0 297.406 2.615 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)ccc1F ZINC000062078922 617883179 /nfs/dbraw/zinc/88/31/79/617883179.db2.gz JAWHZAQIABEQKN-ZDUSSCGKSA-N 2 0 264.388 2.956 20 0 CFADRP CC(C)CCCC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000892003132 617908784 /nfs/dbraw/zinc/90/87/84/617908784.db2.gz DBJLLYJLBWKPPD-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCC(OC)CC2)C[C@@H]1C ZINC000892104496 617952349 /nfs/dbraw/zinc/95/23/49/617952349.db2.gz RZIBERLYSKOFEG-SOEBMCCKSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(F)c(C)c2)[C@@H](C)C1 ZINC000892106134 617952871 /nfs/dbraw/zinc/95/28/71/617952871.db2.gz RLUVOSFOQINZCC-DZGCQCFKSA-N 2 0 279.403 2.691 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)CO ZINC000926351254 617953804 /nfs/dbraw/zinc/95/38/04/617953804.db2.gz PYFBIIHLQKTYTH-HOCLYGCPSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2CCC(OC)CC2)C1 ZINC000892133431 617966882 /nfs/dbraw/zinc/96/68/82/617966882.db2.gz OPPZGKGRMCTHFL-CGZBRXJRSA-N 2 0 282.472 2.855 20 0 CFADRP CCc1c[nH]c2ncnc(N3CCC(c4ncc[nH]4)CC3)c12 ZINC000892150077 617974696 /nfs/dbraw/zinc/97/46/96/617974696.db2.gz AAMJYUYQYLMUPH-UHFFFAOYSA-N 2 0 296.378 2.627 20 0 CFADRP Cn1cccc1[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892192678 617993573 /nfs/dbraw/zinc/99/35/73/617993573.db2.gz NPURVSOLHIYYDO-QGZVFWFLSA-N 2 0 275.440 2.894 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934398186 618030686 /nfs/dbraw/zinc/03/06/86/618030686.db2.gz XLUNHDKRBGMZFB-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000261554049 618103315 /nfs/dbraw/zinc/10/33/15/618103315.db2.gz AOWNFRIPCCBDFK-RRFJBIMHSA-N 2 0 250.430 2.933 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@H]1CCC=CO1)Cc1ccccc1 ZINC000050267293 618105744 /nfs/dbraw/zinc/10/57/44/618105744.db2.gz MDAKSALISAFFHM-QGZVFWFLSA-N 2 0 274.408 2.791 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000261589490 618108791 /nfs/dbraw/zinc/10/87/91/618108791.db2.gz KVQSOJVDEFMWMT-WWGRRREGSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc2c1OCO2 ZINC000926115646 618116427 /nfs/dbraw/zinc/11/64/27/618116427.db2.gz WKWCLCAJOQNLEE-CYBMUJFWSA-N 2 0 290.407 2.798 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000926457180 618133649 /nfs/dbraw/zinc/13/36/49/618133649.db2.gz LEVFPBDWXBUJQL-QGZVFWFLSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926126034 618135430 /nfs/dbraw/zinc/13/54/30/618135430.db2.gz ONABHJVRFHIYOD-RDBSUJKOSA-N 2 0 264.413 2.558 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](CCn3ccnc3C)C2)n1 ZINC000933124724 618160269 /nfs/dbraw/zinc/16/02/69/618160269.db2.gz AXENHNIQZMHVTG-AWEZNQCLSA-N 2 0 290.436 2.521 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CCCCO)CC1 ZINC000926508736 618165581 /nfs/dbraw/zinc/16/55/81/618165581.db2.gz DMVNBANJOASIMC-HNNXBMFYSA-N 2 0 270.461 2.638 20 0 CFADRP C[N@H+](CCSc1ccccc1)C1CCC([NH3+])CC1 ZINC000091847483 618203202 /nfs/dbraw/zinc/20/32/02/618203202.db2.gz KMJKDIXKIKVPMH-UHFFFAOYSA-N 2 0 264.438 2.980 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000308393750 618207650 /nfs/dbraw/zinc/20/76/50/618207650.db2.gz NAVRZKAZUGOTHX-CVEARBPZSA-N 2 0 280.456 2.798 20 0 CFADRP C(C[NH2+]C1([C@H]2CCCCO2)CC1)C[NH+]1CCCCC1 ZINC000933375401 618215058 /nfs/dbraw/zinc/21/50/58/618215058.db2.gz JWAXAAJNRXWKEH-OAHLLOKOSA-N 2 0 266.429 2.554 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926572654 618217044 /nfs/dbraw/zinc/21/70/44/618217044.db2.gz GJXMNTHUEZSZSJ-ARFHVFGLSA-N 2 0 270.461 2.638 20 0 CFADRP C[NH+](C)Cc1ccc(NCC2CC[NH+](C)CC2)cc1F ZINC000892389377 618220520 /nfs/dbraw/zinc/22/05/20/618220520.db2.gz RWGAKXNIOVKOMI-UHFFFAOYSA-N 2 0 279.403 2.641 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1)[NH2+]2 ZINC000925571470 618252150 /nfs/dbraw/zinc/25/21/50/618252150.db2.gz IDSLBNMABWYDGG-HMGSXCDBSA-N 2 0 270.420 2.736 20 0 CFADRP Cc1ncoc1CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000893978027 618258374 /nfs/dbraw/zinc/25/83/74/618258374.db2.gz NBDGJFCTGHIPNM-MRXNPFEDSA-N 2 0 291.439 2.927 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000186595564 618260440 /nfs/dbraw/zinc/26/04/40/618260440.db2.gz BIPWJQYYRPESDC-ULQDDVLXSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000893292052 618262739 /nfs/dbraw/zinc/26/27/39/618262739.db2.gz QCJXSIUVHYPMCX-ROUUACIJSA-N 2 0 288.435 2.696 20 0 CFADRP COc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(C)c1 ZINC000925584547 618270090 /nfs/dbraw/zinc/27/00/90/618270090.db2.gz PVEDXOMLMAYAQY-IKGGRYGDSA-N 2 0 288.435 2.870 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000310282052 618277675 /nfs/dbraw/zinc/27/76/75/618277675.db2.gz HRUIUCZPGUGWGS-NXEZZACHSA-N 2 0 252.324 2.825 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000894037373 618291662 /nfs/dbraw/zinc/29/16/62/618291662.db2.gz JEUZMEIDMWNOSA-YNEHKIRRSA-N 2 0 289.261 2.576 20 0 CFADRP CC[C@H](CN[C@@H](c1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000925606162 618294432 /nfs/dbraw/zinc/29/44/32/618294432.db2.gz LZVOFBLBNJKYRK-DJIMGWMZSA-N 2 0 275.440 2.539 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)N1CCCC1 ZINC000925605718 618294750 /nfs/dbraw/zinc/29/47/50/618294750.db2.gz HZJHCGAYKCSKRK-ROUUACIJSA-N 2 0 289.467 2.931 20 0 CFADRP CC[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)N1CCCC1 ZINC000925605720 618294812 /nfs/dbraw/zinc/29/48/12/618294812.db2.gz HZJHCGAYKCSKRK-ZWKOTPCHSA-N 2 0 289.467 2.931 20 0 CFADRP CCOc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)o1 ZINC000894067551 618303518 /nfs/dbraw/zinc/30/35/18/618303518.db2.gz MITXQBISGIFUNY-UHFFFAOYSA-N 2 0 278.396 2.642 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925614974 618317651 /nfs/dbraw/zinc/31/76/51/618317651.db2.gz DDQCUXOCGOOYLK-IKGGRYGDSA-N 2 0 295.515 2.850 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925616811 618323924 /nfs/dbraw/zinc/32/39/24/618323924.db2.gz UIJIAPMYPOBJKR-TXCZRRACSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000261705718 618340147 /nfs/dbraw/zinc/34/01/47/618340147.db2.gz IWRDSUONJUUDJK-MJVIPROJSA-N 2 0 284.350 2.937 20 0 CFADRP C[C@@H]1CCCN1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925622017 618340313 /nfs/dbraw/zinc/34/03/13/618340313.db2.gz IEBYSIZDGHTWBK-WBVHZDCISA-N 3 0 275.440 2.541 20 0 CFADRP Cn1c(Cl)cnc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000179697601 618340581 /nfs/dbraw/zinc/34/05/81/618340581.db2.gz AOXIMVWPORZCHT-UHFFFAOYSA-N 2 0 298.862 2.627 20 0 CFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925627099 618351376 /nfs/dbraw/zinc/35/13/76/618351376.db2.gz WMGGYAMTELIFDD-QGZVFWFLSA-N 2 0 270.420 2.666 20 0 CFADRP C[C@@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925631935 618359873 /nfs/dbraw/zinc/35/98/73/618359873.db2.gz ZCXZOUWWEWLVAA-HLLBOEOZSA-N 2 0 294.414 2.529 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236989017 618360205 /nfs/dbraw/zinc/36/02/05/618360205.db2.gz MLSIKSFCUIBNAI-CVEARBPZSA-N 2 0 297.487 2.617 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000895136792 618365689 /nfs/dbraw/zinc/36/56/89/618365689.db2.gz KFHQHABRZUYXOG-CHWSQXEVSA-N 2 0 291.277 2.727 20 0 CFADRP C[C@H](CCN[C@@H]1CC[NH2+]C12CCCC2)[NH+]1CCCCC1 ZINC000925637921 618373164 /nfs/dbraw/zinc/37/31/64/618373164.db2.gz UTRGONDQFLBWJH-HZPDHXFCSA-N 2 0 279.472 2.515 20 0 CFADRP C[C@@H]([NH2+]CC1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924883876 618392611 /nfs/dbraw/zinc/39/26/11/618392611.db2.gz ZSJVHHRXVXRRAJ-CQSZACIVSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925647678 618395426 /nfs/dbraw/zinc/39/54/26/618395426.db2.gz FKNJYKFZZNRGTH-AHLTXXRQSA-N 2 0 293.480 2.921 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1OC ZINC000311051231 618401864 /nfs/dbraw/zinc/40/18/64/618401864.db2.gz QSBUOKAPOAOZTB-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C12CCC2 ZINC000925652125 618403951 /nfs/dbraw/zinc/40/39/51/618403951.db2.gz BUGJBSBHBSWPQC-BHTHQVBYSA-N 2 0 274.383 2.931 20 0 CFADRP CC(C)(C)SCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253618407 618404089 /nfs/dbraw/zinc/40/40/89/618404089.db2.gz VKHNKDAADXXMJE-OLZOCXBDSA-N 2 0 256.459 2.735 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C12CCC2 ZINC000925652123 618404572 /nfs/dbraw/zinc/40/45/72/618404572.db2.gz BUGJBSBHBSWPQC-APYUEPQZSA-N 2 0 274.383 2.931 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000261760633 618421169 /nfs/dbraw/zinc/42/11/69/618421169.db2.gz CVZXSJYKHRTNFP-AWEZNQCLSA-N 2 0 279.384 2.606 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](O)c1ccccc1 ZINC000925660829 618423024 /nfs/dbraw/zinc/42/30/24/618423024.db2.gz BFBYOBDLRALOBN-MWDXBVQZSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925662388 618425744 /nfs/dbraw/zinc/42/57/44/618425744.db2.gz HLXPISBLYRCKFI-XEZPLFJOSA-N 2 0 262.397 2.576 20 0 CFADRP Cc1ncoc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000894181439 618430724 /nfs/dbraw/zinc/43/07/24/618430724.db2.gz VCGWWBLUCGJMCY-UHFFFAOYSA-N 2 0 265.401 2.585 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@H](C)O1 ZINC000925665353 618430948 /nfs/dbraw/zinc/43/09/48/618430948.db2.gz DMYTXYTZRZYWTK-NEMWNAMBSA-N 2 0 294.483 2.946 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(C)C ZINC000924555724 618439868 /nfs/dbraw/zinc/43/98/68/618439868.db2.gz IVLYMIGIKQXRTC-IAGOWNOFSA-N 2 0 281.488 2.712 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000925671167 618441666 /nfs/dbraw/zinc/44/16/66/618441666.db2.gz BKJRXGQACRDJJP-VXGBXAGGSA-N 2 0 260.372 2.932 20 0 CFADRP COCC(C)(C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925671906 618443081 /nfs/dbraw/zinc/44/30/81/618443081.db2.gz FMLOFRAMCMRULG-HNNXBMFYSA-N 2 0 264.413 2.729 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C12CCC2 ZINC000925672051 618443336 /nfs/dbraw/zinc/44/33/36/618443336.db2.gz GLSKYTQDBNCLFP-RRFJBIMHSA-N 2 0 294.826 2.623 20 0 CFADRP COc1ccncc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925671973 618443437 /nfs/dbraw/zinc/44/34/37/618443437.db2.gz GQYYOLMHZWPJPL-MRXNPFEDSA-N 2 0 285.391 2.660 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C12CCC2 ZINC000925672052 618443603 /nfs/dbraw/zinc/44/36/03/618443603.db2.gz GLSKYTQDBNCLFP-ZNMIVQPWSA-N 2 0 294.826 2.623 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C12CCC2 ZINC000925677461 618453556 /nfs/dbraw/zinc/45/35/56/618453556.db2.gz QICHQEHVSIZGIM-TUUVXOQKSA-N 2 0 274.383 2.931 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000925677427 618453738 /nfs/dbraw/zinc/45/37/38/618453738.db2.gz PQYJHKSALFFZBR-FUHWJXTLSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C12CCC2 ZINC000925677460 618454042 /nfs/dbraw/zinc/45/40/42/618454042.db2.gz QICHQEHVSIZGIM-QCEMKRCNSA-N 2 0 274.383 2.931 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925677932 618455196 /nfs/dbraw/zinc/45/51/96/618455196.db2.gz RIFJTLSFRNVJHC-WCXIOVBPSA-N 2 0 294.483 2.541 20 0 CFADRP Cc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000925680232 618459824 /nfs/dbraw/zinc/45/98/24/618459824.db2.gz PCJXOKHJABXUNW-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2c(n1)CCCC2 ZINC000895204285 618469216 /nfs/dbraw/zinc/46/92/16/618469216.db2.gz AQHDMGCQHAMQRZ-FZNQNYSPSA-N 2 0 287.451 2.699 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925683929 618469953 /nfs/dbraw/zinc/46/99/53/618469953.db2.gz BETHWGPXKSCXHG-ZWKOTPCHSA-N 3 0 293.499 2.619 20 0 CFADRP FCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925684092 618472646 /nfs/dbraw/zinc/47/26/46/618472646.db2.gz ZOTJMOSITDWMNK-JKSUJKDBSA-N 2 0 298.446 2.511 20 0 CFADRP C[N@H+](CCc1ccccc1Br)C1CC[NH2+]CC1 ZINC000259251005 618479048 /nfs/dbraw/zinc/47/90/48/618479048.db2.gz YTJSYKXLPKHXCM-UHFFFAOYSA-N 2 0 297.240 2.675 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOCC2CCCC2)C1 ZINC000925685716 618479878 /nfs/dbraw/zinc/47/98/78/618479878.db2.gz OOGNNXYTDFOHLN-GJZGRUSLSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](CCNC/C=C\c1ccc(F)cc1F)[NH+](C)C ZINC000895294031 618513575 /nfs/dbraw/zinc/51/35/75/618513575.db2.gz NRZZLIJPHMINCE-QMAVJUDZSA-N 2 0 268.351 2.908 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294571 618514237 /nfs/dbraw/zinc/51/42/37/618514237.db2.gz RRPABZTYNPDTRF-CHWSQXEVSA-N 2 0 254.443 2.999 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895296471 618517955 /nfs/dbraw/zinc/51/79/55/618517955.db2.gz LXHXLHBZDVUXDM-KBPBESRZSA-N 2 0 288.439 2.814 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+]CC1CC[NH+](C)CC1 ZINC000895360011 618550003 /nfs/dbraw/zinc/55/00/03/618550003.db2.gz CNDRUHCYPLSBKC-LBPRGKRZSA-N 2 0 298.377 2.664 20 0 CFADRP C=Cn1cc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895380754 618559886 /nfs/dbraw/zinc/55/98/86/618559886.db2.gz QAMDUDRHAHHNQQ-HOCLYGCPSA-N 2 0 276.428 2.536 20 0 CFADRP CCN(CC)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)CC(C)C ZINC000892535475 618617563 /nfs/dbraw/zinc/61/75/63/618617563.db2.gz MFXMLRGJQPIPRX-QGZVFWFLSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738832 618619913 /nfs/dbraw/zinc/61/99/13/618619913.db2.gz MROXMTQSDBQTAJ-RDJZCZTQSA-N 2 0 287.451 2.724 20 0 CFADRP COC1CCC(C[NH2+]CCN2CCCC[C@H]2C)CC1 ZINC000892573647 618638815 /nfs/dbraw/zinc/63/88/15/618638815.db2.gz UOBJVLZJWCCYJD-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP CCc1nnc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000892585913 618643088 /nfs/dbraw/zinc/64/30/88/618643088.db2.gz YWHANNADOHCMTO-CYBMUJFWSA-N 2 0 296.484 2.702 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926778076 618670302 /nfs/dbraw/zinc/67/03/02/618670302.db2.gz IKIGDEFIOBDMFI-SOUVJXGZSA-N 2 0 268.470 2.736 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926778074 618670459 /nfs/dbraw/zinc/67/04/59/618670459.db2.gz IKIGDEFIOBDMFI-KKUMJFAQSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)CO ZINC000924582661 618678800 /nfs/dbraw/zinc/67/88/00/618678800.db2.gz MSGCTFFRAPJGCZ-OAHLLOKOSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000892745522 618738323 /nfs/dbraw/zinc/73/83/23/618738323.db2.gz RCNWLFWSZRBWND-ZDUSSCGKSA-N 2 0 264.388 2.861 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+]CC3CC[NH+](C)CC3)c21 ZINC000892876389 618761785 /nfs/dbraw/zinc/76/17/85/618761785.db2.gz QYRCGAOLSADQBT-UHFFFAOYSA-N 2 0 285.435 2.950 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924607964 618762479 /nfs/dbraw/zinc/76/24/79/618762479.db2.gz MOUXZFCALCZMKM-HNNXBMFYSA-N 2 0 283.419 2.864 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000924608998 618766539 /nfs/dbraw/zinc/76/65/39/618766539.db2.gz IYORNRXUMOJBJS-BMFZPTHFSA-N 2 0 262.397 2.817 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000892944013 618776556 /nfs/dbraw/zinc/77/65/56/618776556.db2.gz MRRJRBMYOXARSW-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)n1 ZINC000852745899 618779593 /nfs/dbraw/zinc/77/95/93/618779593.db2.gz AACOQFOKUNOLIN-UHFFFAOYSA-N 2 0 279.815 2.619 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000893094483 618829144 /nfs/dbraw/zinc/82/91/44/618829144.db2.gz KBYVBRZRDQTFFW-KRWDZBQOSA-N 2 0 290.476 2.948 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000893102129 618832481 /nfs/dbraw/zinc/83/24/81/618832481.db2.gz LGFMKBNWNGTDAC-QGZVFWFLSA-N 2 0 275.440 2.753 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000893119556 618837537 /nfs/dbraw/zinc/83/75/37/618837537.db2.gz AHSKCAAPTFLVEH-UHFFFAOYSA-N 2 0 298.434 2.612 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925509101 618842845 /nfs/dbraw/zinc/84/28/45/618842845.db2.gz LIDPMWNAZPVMCG-IAGOWNOFSA-N 2 0 275.440 2.541 20 0 CFADRP c1ccc(SCCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925510350 618847230 /nfs/dbraw/zinc/84/72/30/618847230.db2.gz VCLAREKNPHRXCH-XSIBGMEISA-N 2 0 288.460 2.755 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2cccs2)C1 ZINC000925510826 618848225 /nfs/dbraw/zinc/84/82/25/618848225.db2.gz ZUGQJVRNPRZUIM-VXGBXAGGSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925514231 618852768 /nfs/dbraw/zinc/85/27/68/618852768.db2.gz MSPZQLAHSVDKCF-VVLHAWIVSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Cc1cccs1 ZINC000925514130 618852924 /nfs/dbraw/zinc/85/29/24/618852924.db2.gz DITKGJOIKJWPNY-GXTWGEPZSA-N 2 0 264.438 2.801 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925514115 618852954 /nfs/dbraw/zinc/85/29/54/618852954.db2.gz LHCKXHZNFONFLR-PMPSAXMXSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925514230 618853015 /nfs/dbraw/zinc/85/30/15/618853015.db2.gz MSPZQLAHSVDKCF-NCOADZHNSA-N 2 0 293.499 2.617 20 0 CFADRP O[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1 ZINC000925517385 618856397 /nfs/dbraw/zinc/85/63/97/618856397.db2.gz KYSCFFYMJXPJOR-LSDHHAIUSA-N 2 0 294.826 2.638 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C12CCC2)COC1CCCCC1 ZINC000925519765 618858157 /nfs/dbraw/zinc/85/81/57/618858157.db2.gz NOZYBADDLIMBLY-HNNXBMFYSA-N 2 0 266.429 2.600 20 0 CFADRP C[C@H]1[NH2+]CCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000925527346 618875432 /nfs/dbraw/zinc/87/54/32/618875432.db2.gz PNXLAGPMHLXXDD-QAPCUYQASA-N 2 0 287.451 2.513 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925528516 618879485 /nfs/dbraw/zinc/87/94/85/618879485.db2.gz VNHREXFPMMUHMU-IRXDYDNUSA-N 2 0 296.499 2.933 20 0 CFADRP C[C@@H](CCN[C@H]1CC[NH2+]C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000925530787 618882839 /nfs/dbraw/zinc/88/28/39/618882839.db2.gz UKXYJLDCUFSWMM-RDJZCZTQSA-N 2 0 289.467 2.627 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cs1 ZINC000925534947 618887615 /nfs/dbraw/zinc/88/76/15/618887615.db2.gz ALBUQEUJSRPDNB-HZPDHXFCSA-N 2 0 293.480 2.752 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCCO)ccc1OC ZINC000182190490 618891397 /nfs/dbraw/zinc/89/13/97/618891397.db2.gz HCRTUEGIMSLACX-CQSZACIVSA-N 2 0 294.439 2.570 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCN[C@@H]1C)c1cccnc1 ZINC000925537841 618892808 /nfs/dbraw/zinc/89/28/08/618892808.db2.gz OJHAJHMTHOGOBO-KBMXLJTQSA-N 2 0 261.413 2.551 20 0 CFADRP Cc1csc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925538901 618895719 /nfs/dbraw/zinc/89/57/19/618895719.db2.gz UNQBUEUYDFSKSG-KBPBESRZSA-N 2 0 279.453 2.709 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925541129 618899893 /nfs/dbraw/zinc/89/98/93/618899893.db2.gz HNOAJURUEIKDHA-BPLDGKMQSA-N 2 0 261.413 2.681 20 0 CFADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925543100 618903200 /nfs/dbraw/zinc/90/32/00/618903200.db2.gz QKKAWISPLKYWMM-MGPQQGTHSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925550655 618911868 /nfs/dbraw/zinc/91/18/68/618911868.db2.gz MWXXDUBQKYVOHR-KBAYOESNSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925552552 618914467 /nfs/dbraw/zinc/91/44/67/618914467.db2.gz JNSSLNJFYVHDMQ-IAGOWNOFSA-N 3 0 293.499 2.763 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1(Cl)Cl ZINC000925689289 618932074 /nfs/dbraw/zinc/93/20/74/618932074.db2.gz HRGRKWLBXYKADG-QYKGAGETSA-N 2 0 289.250 2.546 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194213808 618933484 /nfs/dbraw/zinc/93/34/84/618933484.db2.gz ZZSIKAZWYHGMNT-CVEARBPZSA-N 2 0 266.429 2.781 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)C12CCC2 ZINC000925693826 618939991 /nfs/dbraw/zinc/93/99/91/618939991.db2.gz MTXSPJMAQTVIDZ-PMOUVXMZSA-N 2 0 260.356 2.541 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)[C@H](C)O1 ZINC000925694176 618941058 /nfs/dbraw/zinc/94/10/58/618941058.db2.gz FDNRLUUBLSCQKF-YALNPMBYSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925694517 618941586 /nfs/dbraw/zinc/94/15/86/618941586.db2.gz UFFUTDTUJVLJGV-OAHLLOKOSA-N 2 0 278.440 2.853 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925695875 618947603 /nfs/dbraw/zinc/94/76/03/618947603.db2.gz XWAOEFRJAQMSGL-MSOLQXFVSA-N 2 0 287.451 2.956 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000925697542 618950895 /nfs/dbraw/zinc/95/08/95/618950895.db2.gz GGOXIPPCWCCPRJ-PMUMKWKESA-N 2 0 283.419 2.884 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925700549 618953149 /nfs/dbraw/zinc/95/31/49/618953149.db2.gz UGAUCZXWAJCMFL-VDNDLQMASA-N 3 0 287.451 2.573 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NCC[C@H]1CCc2ccccc2N1 ZINC000925701569 618954963 /nfs/dbraw/zinc/95/49/63/618954963.db2.gz BHQYUFCUUKGLTE-ZBFHGGJFSA-N 2 0 273.424 2.534 20 0 CFADRP Cc1ccccc1C1([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925706349 618961032 /nfs/dbraw/zinc/96/10/32/618961032.db2.gz NPBJXMZOTJVAHO-CABCVRRESA-N 2 0 256.393 2.844 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000925707158 618961992 /nfs/dbraw/zinc/96/19/92/618961992.db2.gz OCZWFFPCAMNSRY-AKJDGMEZSA-N 2 0 258.356 2.685 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925709385 618962666 /nfs/dbraw/zinc/96/26/66/618962666.db2.gz UEEQLBUBYMGZOB-ZDUSSCGKSA-N 2 0 268.470 2.784 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1C ZINC000925711183 618965369 /nfs/dbraw/zinc/96/53/69/618965369.db2.gz MAORWTOYVGDJML-JKSUJKDBSA-N 2 0 258.409 2.705 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000313106089 618974857 /nfs/dbraw/zinc/97/48/57/618974857.db2.gz JBFQVXGJGHDRRN-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)CCC2)c1 ZINC000925716390 618974214 /nfs/dbraw/zinc/97/42/14/618974214.db2.gz PQJZSIXTUMVWMV-HZPDHXFCSA-N 2 0 286.419 2.934 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000257692965 618991344 /nfs/dbraw/zinc/99/13/44/618991344.db2.gz NZEQQRXJVAVFGM-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000178420058 619003087 /nfs/dbraw/zinc/00/30/87/619003087.db2.gz RPLUFDBTIVQOQW-UHFFFAOYSA-N 2 0 270.364 2.702 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000925725504 619005464 /nfs/dbraw/zinc/00/54/64/619005464.db2.gz LHQBBVQTUNSHEL-JJXSEGSLSA-N 2 0 280.456 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000925725506 619005538 /nfs/dbraw/zinc/00/55/38/619005538.db2.gz LHQBBVQTUNSHEL-JONQDZQNSA-N 2 0 280.456 2.559 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925730097 619031591 /nfs/dbraw/zinc/03/15/91/619031591.db2.gz NBWZABVUFWBDNZ-SJORKVTESA-N 2 0 291.414 2.666 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000893533073 619041173 /nfs/dbraw/zinc/04/11/73/619041173.db2.gz YLFCBLGWFPFRHM-KRWDZBQOSA-N 2 0 292.398 2.621 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925734138 619043951 /nfs/dbraw/zinc/04/39/51/619043951.db2.gz NUYGIINYCIRSIK-UJEKJILKSA-N 3 0 281.488 2.745 20 0 CFADRP c1ccc2c(c1)CC[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000093678034 619044268 /nfs/dbraw/zinc/04/42/68/619044268.db2.gz WSWVGZLSDFDEAY-DODVFSASSA-N 2 0 270.420 2.965 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC(C)(C)[NH3+] ZINC000925736516 619046183 /nfs/dbraw/zinc/04/61/83/619046183.db2.gz BAURMOMZMUAOAW-MRXNPFEDSA-N 2 0 278.440 2.945 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752248 619056284 /nfs/dbraw/zinc/05/62/84/619056284.db2.gz UJLSQYFHMRYFOC-ZYHUDNBSSA-N 2 0 279.453 2.785 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000925755313 619065471 /nfs/dbraw/zinc/06/54/71/619065471.db2.gz DHNGLJXHKUHTHM-CYBMUJFWSA-N 2 0 274.408 2.981 20 0 CFADRP C[N@H+](CCc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000258648545 619077954 /nfs/dbraw/zinc/07/79/54/619077954.db2.gz ASQAEUPUSDSYRB-UHFFFAOYSA-N 2 0 250.361 2.570 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925775449 619095477 /nfs/dbraw/zinc/09/54/77/619095477.db2.gz QKBWZDNYJUKGTG-LVQVYYBASA-N 2 0 292.467 2.702 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775965 619095750 /nfs/dbraw/zinc/09/57/50/619095750.db2.gz ISVXLACAWFCWEI-AGIUHOORSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777261 619098756 /nfs/dbraw/zinc/09/87/56/619098756.db2.gz CXYCLACBTUOWHO-GHMZBOCLSA-N 2 0 274.380 2.514 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C12CCC2 ZINC000925778287 619100486 /nfs/dbraw/zinc/10/04/86/619100486.db2.gz JRAYIAMBDGRGEB-ILXRZTDVSA-N 2 0 260.356 2.673 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925780563 619102582 /nfs/dbraw/zinc/10/25/82/619102582.db2.gz TXXGTQJSDWSNKM-HIFRSBDPSA-N 2 0 280.362 2.817 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000925783184 619107180 /nfs/dbraw/zinc/10/71/80/619107180.db2.gz DASAOHYXJDBGKS-KFWWJZLASA-N 2 0 276.424 2.818 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785857 619110898 /nfs/dbraw/zinc/11/08/98/619110898.db2.gz PGGCLLPLEJEFOX-IJEWVQPXSA-N 2 0 274.408 2.654 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925788730 619113163 /nfs/dbraw/zinc/11/31/63/619113163.db2.gz BTZFBEVMTJTMQR-KQTLUZQSSA-N 2 0 276.424 2.632 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094370897 619115332 /nfs/dbraw/zinc/11/53/32/619115332.db2.gz ZWKOBRHWEIZJKO-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925796101 619118762 /nfs/dbraw/zinc/11/87/62/619118762.db2.gz AAQDYHJHMKQSDA-KGYLQXTDSA-N 2 0 252.427 2.953 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802963 619123222 /nfs/dbraw/zinc/12/32/22/619123222.db2.gz KSKAKGHWXLPRJV-CPUCHLNUSA-N 2 0 288.435 2.908 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000317746523 619123703 /nfs/dbraw/zinc/12/37/03/619123703.db2.gz OMUNANBPYRFKGC-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810363 619128894 /nfs/dbraw/zinc/12/88/94/619128894.db2.gz ZQVQIXNCSZHUBL-DLBZAZTESA-N 3 0 281.488 2.796 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc(C)c1F ZINC000925812668 619131253 /nfs/dbraw/zinc/13/12/53/619131253.db2.gz YBIMWHKOFVMYKX-AWEZNQCLSA-N 2 0 293.430 2.516 20 0 CFADRP CN(C)c1ccnc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925814503 619133262 /nfs/dbraw/zinc/13/32/62/619133262.db2.gz MJPXJQBOSXBUJR-GOSISDBHSA-N 2 0 298.434 2.717 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)nc1 ZINC000925819832 619140051 /nfs/dbraw/zinc/14/00/51/619140051.db2.gz CEYSTZQLBVJEPK-JYYAWHABSA-N 2 0 271.408 2.510 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925824377 619145383 /nfs/dbraw/zinc/14/53/83/619145383.db2.gz SHTBPSAPUXQYAG-GYXIZQIFSA-N 3 0 279.472 2.501 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000893654249 619146382 /nfs/dbraw/zinc/14/63/82/619146382.db2.gz UVFHYHIJPQEECL-QAPCUYQASA-N 2 0 289.467 2.609 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925826351 619151343 /nfs/dbraw/zinc/15/13/43/619151343.db2.gz NBVFBEBWDPNENE-VNQPRFMTSA-N 2 0 280.456 2.831 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@H]1CCCC[NH2+]1 ZINC000925827625 619157438 /nfs/dbraw/zinc/15/74/38/619157438.db2.gz AIIVDZXDQWOWAH-RVMXOQNASA-N 2 0 294.361 2.607 20 0 CFADRP C[C@H]([NH2+]CCc1cnc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000925829776 619160875 /nfs/dbraw/zinc/16/08/75/619160875.db2.gz BCDOKYFLHHKVCT-WMLDXEAASA-N 2 0 283.419 2.755 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925830369 619161255 /nfs/dbraw/zinc/16/12/55/619161255.db2.gz CVPMGXORLNBYGJ-MTVMDMGHSA-N 2 0 276.346 2.551 20 0 CFADRP CN(CC[NH2+]C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552698 619169687 /nfs/dbraw/zinc/16/96/87/619169687.db2.gz RRKNXVMWEJEWJF-KRWDZBQOSA-N 2 0 289.467 2.581 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(C)n1 ZINC000925839423 619172936 /nfs/dbraw/zinc/17/29/36/619172936.db2.gz BRNDZXBYQGGYBN-KBRIMQKVSA-N 2 0 273.424 2.881 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000261589904 619173764 /nfs/dbraw/zinc/17/37/64/619173764.db2.gz WQJQVMHQUZISLF-CQSZACIVSA-N 2 0 264.438 2.756 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261591486 619173798 /nfs/dbraw/zinc/17/37/98/619173798.db2.gz LXUPHJOAIZQFRY-SJORKVTESA-N 2 0 256.393 2.749 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261619058 619178984 /nfs/dbraw/zinc/17/89/84/619178984.db2.gz UIWOCCWACZGTOV-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846818 619179725 /nfs/dbraw/zinc/17/97/25/619179725.db2.gz RAMWHIMUPDMEPD-NJZAAPMLSA-N 2 0 280.437 2.940 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925856231 619185113 /nfs/dbraw/zinc/18/51/13/619185113.db2.gz DXXXOKFCVODHPO-KZYLPZIUSA-N 3 0 279.472 2.514 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)C12CCC2 ZINC000925861438 619188114 /nfs/dbraw/zinc/18/81/14/619188114.db2.gz PTGSEIMPFKQHEY-UPJWGTAASA-N 2 0 266.454 2.664 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCS1 ZINC000925862068 619188428 /nfs/dbraw/zinc/18/84/28/619188428.db2.gz XFRGAHAFEZBCEB-LPWJVIDDSA-N 2 0 256.459 2.766 20 0 CFADRP COC[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)N)C(C)C ZINC000925873583 619194682 /nfs/dbraw/zinc/19/46/82/619194682.db2.gz JSZRWJXGUYBKCV-CWRNSKLLSA-N 2 0 264.413 2.583 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3sccc32)C1 ZINC000925876523 619196822 /nfs/dbraw/zinc/19/68/22/619196822.db2.gz AKXAZDKASHYGMF-LOWVWBTDSA-N 2 0 250.411 2.843 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000925876717 619197137 /nfs/dbraw/zinc/19/71/37/619197137.db2.gz GEMHCNGWARAWPQ-KCXAZCMYSA-N 2 0 274.408 2.790 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000925880859 619201448 /nfs/dbraw/zinc/20/14/48/619201448.db2.gz VKRFJIBDZRAKRL-XUWVNRHRSA-N 2 0 296.455 2.606 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925882452 619202184 /nfs/dbraw/zinc/20/21/84/619202184.db2.gz MNWQQHJIKDRHLH-FGTMMUONSA-N 2 0 290.451 2.945 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC000925881482 619202337 /nfs/dbraw/zinc/20/23/37/619202337.db2.gz BSNYXWWOKBQZCC-PEYYIBSZSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000925887147 619204635 /nfs/dbraw/zinc/20/46/35/619204635.db2.gz SQJDXTMZVZIOEA-OAGGEKHMSA-N 2 0 276.449 2.531 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cscn1 ZINC000925887131 619204936 /nfs/dbraw/zinc/20/49/36/619204936.db2.gz SHYXWOXMCQMYCK-XPKDYRNWSA-N 2 0 287.432 2.853 20 0 CFADRP C[C@@H]([NH2+]CCOC1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000925895222 619208905 /nfs/dbraw/zinc/20/89/05/619208905.db2.gz WLNIIISXYFOBPQ-CQSZACIVSA-N 2 0 276.424 2.968 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)CO)ccc1OC ZINC000182566123 625328800 /nfs/dbraw/zinc/32/88/00/625328800.db2.gz BHIDRRCOSIMROA-ZIAGYGMSSA-N 2 0 294.439 2.568 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)s1 ZINC000070542884 625331894 /nfs/dbraw/zinc/33/18/94/625331894.db2.gz ZLJHUQYGGXEOQN-UHFFFAOYSA-N 2 0 260.406 2.848 20 0 CFADRP CCc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261821157 619282816 /nfs/dbraw/zinc/28/28/16/619282816.db2.gz IHZMAGGSPGJYQU-NSHDSACASA-N 2 0 252.789 2.683 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc[nH]3)CC2)CC1 ZINC000894355732 619347611 /nfs/dbraw/zinc/34/76/11/619347611.db2.gz BWIKTOHKYKWHKG-UHFFFAOYSA-N 2 0 276.428 2.542 20 0 CFADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnc[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000894359870 619350316 /nfs/dbraw/zinc/35/03/16/619350316.db2.gz UCJROQUUXXEKGF-RDJZCZTQSA-N 2 0 298.434 2.800 20 0 CFADRP C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925036347 619351720 /nfs/dbraw/zinc/35/17/20/619351720.db2.gz BYPZCTCXJNGXPC-CXAGYDPISA-N 2 0 276.424 2.560 20 0 CFADRP CCCCN(C)CC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000925037755 619352630 /nfs/dbraw/zinc/35/26/30/619352630.db2.gz AIQWWACHBBNWNE-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261994403 619360681 /nfs/dbraw/zinc/36/06/81/619360681.db2.gz KQMQNPREWUCKRS-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP Fc1ccc(OC[C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262034312 619398186 /nfs/dbraw/zinc/39/81/86/619398186.db2.gz XMXMNFCNWJETLH-INIZCTEOSA-N 2 0 292.398 2.669 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070534420 625342556 /nfs/dbraw/zinc/34/25/56/625342556.db2.gz JGJGSNSTRRVENU-CQSZACIVSA-N 2 0 262.397 2.646 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)c1 ZINC000894496402 619403407 /nfs/dbraw/zinc/40/34/07/619403407.db2.gz PSWGTXZSRVSDBA-WMZOPIPTSA-N 2 0 288.435 2.920 20 0 CFADRP CSC1(C[NH2+]Cc2nc(C)c(C)s2)CC[NH+](C)CC1 ZINC000894544171 619414487 /nfs/dbraw/zinc/41/44/87/619414487.db2.gz BZGDHDXFQVRYTA-UHFFFAOYSA-N 2 0 299.509 2.677 20 0 CFADRP Cc1ccccc1CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000894668789 619439161 /nfs/dbraw/zinc/43/91/61/619439161.db2.gz WVXWWIRNVSYYRE-UHFFFAOYSA-N 2 0 260.425 2.811 20 0 CFADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000262052454 619450980 /nfs/dbraw/zinc/45/09/80/619450980.db2.gz QJHKULSIISABOH-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP COC1CCC(C[NH2+]C(C)(C)CCC[NH+](C)C)CC1 ZINC000894731707 619452295 /nfs/dbraw/zinc/45/22/95/619452295.db2.gz UGMUJQCDHYUBHR-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H]1C(C)C ZINC000894740929 619455875 /nfs/dbraw/zinc/45/58/75/619455875.db2.gz DKJZIZBQMKJWPA-CVEARBPZSA-N 2 0 252.446 2.941 20 0 CFADRP CC(C)c1nnc(C[NH2+]CCCC[N@H+](C)C2CC2)s1 ZINC000894807758 619471297 /nfs/dbraw/zinc/47/12/97/619471297.db2.gz WXXXQZPVXZIISJ-UHFFFAOYSA-N 2 0 282.457 2.626 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000894835773 619478487 /nfs/dbraw/zinc/47/84/87/619478487.db2.gz LDFQULXZHAUZCZ-UHFFFAOYSA-N 2 0 294.389 2.781 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000894895067 619502134 /nfs/dbraw/zinc/50/21/34/619502134.db2.gz OYQUAHYITBTMTG-HZPDHXFCSA-N 2 0 250.430 2.744 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000894895068 619502176 /nfs/dbraw/zinc/50/21/76/619502176.db2.gz OYQUAHYITBTMTG-JKSUJKDBSA-N 2 0 250.430 2.744 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000894961441 619517138 /nfs/dbraw/zinc/51/71/38/619517138.db2.gz KZFVFGDVQDTWJE-OAHLLOKOSA-N 2 0 268.470 2.546 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894984182 619522668 /nfs/dbraw/zinc/52/26/68/619522668.db2.gz JDNXJNSPXFSSIO-HNNXBMFYSA-N 2 0 287.451 2.866 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]Cc3cccc4c3NCCC4)ccc12 ZINC000894984342 619522733 /nfs/dbraw/zinc/52/27/33/619522733.db2.gz XGAMYGDYQKOCRC-UHFFFAOYSA-N 2 0 292.386 2.982 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894984184 619522773 /nfs/dbraw/zinc/52/27/73/619522773.db2.gz JDNXJNSPXFSSIO-OAHLLOKOSA-N 2 0 287.451 2.866 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000895018511 619529322 /nfs/dbraw/zinc/52/93/22/619529322.db2.gz QKEGASZPFKDMOB-QGZVFWFLSA-N 2 0 292.467 2.609 20 0 CFADRP Cc1cc(N)nc(NC2CCC(C)([NH+]3CCCC3)CC2)[nH+]1 ZINC000895523693 619548892 /nfs/dbraw/zinc/54/88/92/619548892.db2.gz OGVCXENMWTZASP-UHFFFAOYSA-N 2 0 289.427 2.576 20 0 CFADRP C[C@@H]1C[N@H+](CC2CCSCC2)CCN1c1cc[nH+]cc1 ZINC000895556105 619554292 /nfs/dbraw/zinc/55/42/92/619554292.db2.gz FGNNBFNSBRMRCK-CQSZACIVSA-N 2 0 291.464 2.735 20 0 CFADRP COc1ccc2c(N[C@H]3CC[N@H+](C)[C@@H]3C)cc[nH+]c2c1 ZINC000895741083 619594029 /nfs/dbraw/zinc/59/40/29/619594029.db2.gz YOLNJMCLBXNYJD-RISCZKNCSA-N 2 0 271.364 2.748 20 0 CFADRP COc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000896028542 619658235 /nfs/dbraw/zinc/65/82/35/619658235.db2.gz RZRWCUDXMFYAIT-UHFFFAOYSA-N 2 0 280.412 2.986 20 0 CFADRP CCn1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)c(C)n1 ZINC000896028993 619658749 /nfs/dbraw/zinc/65/87/49/619658749.db2.gz ZKYDBGPITYRFBT-UHFFFAOYSA-N 2 0 292.471 2.909 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000262382270 619871624 /nfs/dbraw/zinc/87/16/24/619871624.db2.gz YUTWEELKGXZHBJ-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144076 619968211 /nfs/dbraw/zinc/96/82/11/619968211.db2.gz SSUNPJVGMCWNQG-MPGHIAIKSA-N 2 0 289.467 2.882 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCN2CCC(O)CC2)[C@@H]2CCCC[C@@H]21 ZINC000179104521 619988760 /nfs/dbraw/zinc/98/87/60/619988760.db2.gz YEPYMGAJMMENTE-IXDOHACOSA-N 2 0 294.483 2.638 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2cccc(C)c21 ZINC000925239560 620061763 /nfs/dbraw/zinc/06/17/63/620061763.db2.gz GBWGDEAIOLWTFO-SJORKVTESA-N 2 0 290.451 2.929 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C(C)(C)CC ZINC000872021780 620079599 /nfs/dbraw/zinc/07/95/99/620079599.db2.gz QQCJAFSQNAEJEN-OAHLLOKOSA-N 2 0 283.504 2.817 20 0 CFADRP COC(C)(C)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925269464 620163338 /nfs/dbraw/zinc/16/33/38/620163338.db2.gz HFABICKRPADRCZ-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)OC1 ZINC000897476761 620182744 /nfs/dbraw/zinc/18/27/44/620182744.db2.gz XBHVYOKCAQZWGM-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000897508761 620197688 /nfs/dbraw/zinc/19/76/88/620197688.db2.gz SBFSBEBNOLICFR-HOTGVXAUSA-N 2 0 280.456 2.797 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000257700093 620222821 /nfs/dbraw/zinc/22/28/21/620222821.db2.gz PVYRGCFLAXJUIF-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925304047 620239295 /nfs/dbraw/zinc/23/92/95/620239295.db2.gz QAKCAPLMEDLAGI-HOTGVXAUSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cncc3ccccc32)C[C@@H]1C[NH3+] ZINC000163495786 620247378 /nfs/dbraw/zinc/24/73/78/620247378.db2.gz NCQVQJDFXTXDMW-HIFRSBDPSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccc(F)cc1 ZINC000897621711 620260614 /nfs/dbraw/zinc/26/06/14/620260614.db2.gz PEEDDEWNDJDMKV-JLJPHGGASA-N 2 0 276.399 2.813 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC(C)(C)C2)CCN1C ZINC000897794393 620285781 /nfs/dbraw/zinc/28/57/81/620285781.db2.gz UPNWODGXYMVMTR-FRRDWIJNSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000897971507 620306302 /nfs/dbraw/zinc/30/63/02/620306302.db2.gz ZIGYUGIHXNFPNG-AWEZNQCLSA-N 2 0 275.440 2.865 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017463 620323789 /nfs/dbraw/zinc/32/37/89/620323789.db2.gz NHKUBMSACHGVOJ-BZPMIXESSA-N 2 0 272.383 2.884 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H]3CCC[NH2+]CC3)oc21 ZINC000841056768 620422503 /nfs/dbraw/zinc/42/25/03/620422503.db2.gz DQPGIHABTWFLHZ-ZDUSSCGKSA-N 2 0 274.364 2.673 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(C)c1OC(F)F ZINC000841064962 620434216 /nfs/dbraw/zinc/43/42/16/620434216.db2.gz XJWBVKCUXDBHTO-GXTWGEPZSA-N 2 0 298.377 2.992 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)on1 ZINC000927039668 620445278 /nfs/dbraw/zinc/44/52/78/620445278.db2.gz VKHAXUNEJPLXHU-VEAWUBTESA-N 2 0 293.411 2.741 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc[nH]c(=O)c1 ZINC000927039683 620445358 /nfs/dbraw/zinc/44/53/58/620445358.db2.gz VQKARSXMKSZZMH-BZOOQXSSSA-N 2 0 289.423 2.845 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924712954 620450450 /nfs/dbraw/zinc/45/04/50/620450450.db2.gz CDLDMHZUMZPEAD-RHSMWYFYSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713805 620451008 /nfs/dbraw/zinc/45/10/08/620451008.db2.gz TWWFULDRTWOMBH-SJORKVTESA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CCCO)C[NH+]1CCCC1 ZINC000924716891 620452073 /nfs/dbraw/zinc/45/20/73/620452073.db2.gz RQHDEOJHSWPVMN-BRWVUGGUSA-N 2 0 282.472 2.639 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000898444236 620465569 /nfs/dbraw/zinc/46/55/69/620465569.db2.gz HYKZSKMEGHFLBR-JKSUJKDBSA-N 2 0 292.398 2.811 20 0 CFADRP C[C@H](NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000899266316 620538026 /nfs/dbraw/zinc/53/80/26/620538026.db2.gz RJHOQWMHKLXBEP-KBPBESRZSA-N 2 0 280.460 2.553 20 0 CFADRP C[NH+](C)CCc1ccc(-c2csc(C[NH3+])c2)cc1 ZINC000899322060 620543545 /nfs/dbraw/zinc/54/35/45/620543545.db2.gz CODPKCGGAYMKEN-UHFFFAOYSA-N 2 0 260.406 2.978 20 0 CFADRP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899324390 620544007 /nfs/dbraw/zinc/54/40/07/620544007.db2.gz LSLXFMZFPAIQCA-MRXNPFEDSA-N 2 0 298.434 2.920 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](O)c2ccco2)CC1 ZINC000183146540 625436305 /nfs/dbraw/zinc/43/63/05/625436305.db2.gz PCRDXICPKZAPIP-DZGCQCFKSA-N 2 0 280.412 2.556 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc(C3=CCC[NH2+]CC3)n2)cc1 ZINC000900004598 620621778 /nfs/dbraw/zinc/62/17/78/620621778.db2.gz MSGAOEMLMCHJAT-UHFFFAOYSA-N 2 0 298.390 2.565 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000902063880 620972991 /nfs/dbraw/zinc/97/29/91/620972991.db2.gz KYAKSSBQIDVKPH-CQSZACIVSA-N 2 0 273.424 2.692 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCOc2ccccc2F)C1 ZINC000902340594 621032328 /nfs/dbraw/zinc/03/23/28/621032328.db2.gz XZPJLXFMFOFHEL-AWEZNQCLSA-N 2 0 294.414 2.962 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000902347008 621034441 /nfs/dbraw/zinc/03/44/41/621034441.db2.gz JRNWDFWSTPIBPF-YESZJQIVSA-N 2 0 272.436 2.985 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349660 621035681 /nfs/dbraw/zinc/03/56/81/621035681.db2.gz YSTKPQIOEQTEOC-XHSDSOJGSA-N 2 0 282.472 2.805 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CCCCC1 ZINC000902326725 621037086 /nfs/dbraw/zinc/03/70/86/621037086.db2.gz DIUUXZMUEBHEDT-HNNXBMFYSA-N 2 0 281.488 2.619 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327660 621037115 /nfs/dbraw/zinc/03/71/15/621037115.db2.gz FZAZFWDABYMAOM-HUUCEWRRSA-N 3 0 283.504 2.721 20 0 CFADRP COCc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1F ZINC000902328806 621037849 /nfs/dbraw/zinc/03/78/49/621037849.db2.gz OJVADQPXMIWMGW-OAHLLOKOSA-N 2 0 294.414 2.840 20 0 CFADRP COCc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1F ZINC000902328805 621038004 /nfs/dbraw/zinc/03/80/04/621038004.db2.gz OJVADQPXMIWMGW-HNNXBMFYSA-N 2 0 294.414 2.840 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000902331630 621039257 /nfs/dbraw/zinc/03/92/57/621039257.db2.gz BYAAQDJUIYHESH-AWEZNQCLSA-N 2 0 250.430 2.790 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333671 621039447 /nfs/dbraw/zinc/03/94/47/621039447.db2.gz MBYHKQCRIHJUGE-MRXNPFEDSA-N 2 0 276.424 2.701 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2cc(F)ccc2F)C1 ZINC000902333939 621039795 /nfs/dbraw/zinc/03/97/95/621039795.db2.gz NUIIRKLEVRSIBL-CQSZACIVSA-N 2 0 282.378 2.875 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902374974 621045664 /nfs/dbraw/zinc/04/56/64/621045664.db2.gz SVIPIRQREJXXSP-INIZCTEOSA-N 2 0 290.451 2.782 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902376635 621047225 /nfs/dbraw/zinc/04/72/25/621047225.db2.gz KRMQVILCRWSAJY-SHARSMKWSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2cccc(F)c2F)C1 ZINC000902359676 621052341 /nfs/dbraw/zinc/05/23/41/621052341.db2.gz FVDYIJKXFUTEPW-ZDUSSCGKSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361811 621053299 /nfs/dbraw/zinc/05/32/99/621053299.db2.gz SYVSZPCSWFQJSJ-HZSPNIEDSA-N 2 0 296.480 2.928 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362525 621053521 /nfs/dbraw/zinc/05/35/21/621053521.db2.gz XZJIYAORBIACLD-GDBMZVCRSA-N 2 0 270.461 2.541 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362526 621053675 /nfs/dbraw/zinc/05/36/75/621053675.db2.gz XZJIYAORBIACLD-GOEBONIOSA-N 2 0 270.461 2.541 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362884 621053814 /nfs/dbraw/zinc/05/38/14/621053814.db2.gz SVASNEORBRGFPG-HYVNUMGLSA-N 2 0 290.451 2.519 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1C ZINC000902406349 621055125 /nfs/dbraw/zinc/05/51/25/621055125.db2.gz SFTMKMVPUNCLGZ-WQVCFCJDSA-N 2 0 274.408 2.924 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)C1 ZINC000902384312 621059356 /nfs/dbraw/zinc/05/93/56/621059356.db2.gz INLRDNWKCPXWGI-HNNXBMFYSA-N 2 0 287.451 2.871 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1(Cl)Cl ZINC000902388346 621061443 /nfs/dbraw/zinc/06/14/43/621061443.db2.gz PGAYYWPEGFTIBZ-PWSUYJOCSA-N 2 0 279.255 2.938 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CC(F)(F)F ZINC000902389814 621061972 /nfs/dbraw/zinc/06/19/72/621061972.db2.gz AMZMUWDJMVKLNP-QWRGUYRKSA-N 2 0 266.351 2.943 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)CC(F)(F)F ZINC000902389813 621062014 /nfs/dbraw/zinc/06/20/14/621062014.db2.gz AMZMUWDJMVKLNP-MNOVXSKESA-N 2 0 266.351 2.943 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@H]2CNc3ccccc32)C1 ZINC000902394850 621064314 /nfs/dbraw/zinc/06/43/14/621064314.db2.gz DYIOJOLUOHEUTB-LSDHHAIUSA-N 2 0 287.451 2.954 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000902395602 621064715 /nfs/dbraw/zinc/06/47/15/621064715.db2.gz HUUCEPXPFCWRDF-INIZCTEOSA-N 2 0 288.435 2.627 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902395627 621064873 /nfs/dbraw/zinc/06/48/73/621064873.db2.gz CYKLFHBRUSTHBA-JKSUJKDBSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)C1 ZINC000902400854 621067269 /nfs/dbraw/zinc/06/72/69/621067269.db2.gz WMKLMTQVVBSFGL-ZBFHGGJFSA-N 2 0 273.424 2.624 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000902404829 621069518 /nfs/dbraw/zinc/06/95/18/621069518.db2.gz FRDRZWBMSAMXSF-AWEZNQCLSA-N 2 0 264.800 2.742 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902429397 621076421 /nfs/dbraw/zinc/07/64/21/621076421.db2.gz KLCPQPQVMJDFDD-FZKCQIBNSA-N 2 0 294.483 2.948 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000902430165 621076439 /nfs/dbraw/zinc/07/64/39/621076439.db2.gz HGFXJNJRLPUQMR-HZPDHXFCSA-N 2 0 290.455 2.679 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000902430944 621077056 /nfs/dbraw/zinc/07/70/56/621077056.db2.gz KCXPRSXFSOZAFX-INIZCTEOSA-N 2 0 290.455 2.551 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)OC1 ZINC000902432200 621077778 /nfs/dbraw/zinc/07/77/78/621077778.db2.gz VRSHDPYVRBVNQH-KLHDSHLOSA-N 2 0 280.456 2.559 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)OC1 ZINC000902432204 621077912 /nfs/dbraw/zinc/07/79/12/621077912.db2.gz VRSHDPYVRBVNQH-ZJIFWQFVSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000902433918 621078671 /nfs/dbraw/zinc/07/86/71/621078671.db2.gz VLBGZDWJVOLNED-HUUCEWRRSA-N 2 0 282.472 2.935 20 0 CFADRP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)C1CCC(F)(F)CC1 ZINC000902443552 621082136 /nfs/dbraw/zinc/08/21/36/621082136.db2.gz LASXRRPODIHXJD-JQWIXIFHSA-N 2 0 260.372 2.788 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCS1 ZINC000902452149 621092706 /nfs/dbraw/zinc/09/27/06/621092706.db2.gz JHEXTHZBCMQRBC-UPJWGTAASA-N 2 0 256.459 2.768 20 0 CFADRP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000902446578 621089243 /nfs/dbraw/zinc/08/92/43/621089243.db2.gz ULVWZUDEFXLNPF-AVVWSFFYSA-N 2 0 280.456 2.844 20 0 CFADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000902447288 621089951 /nfs/dbraw/zinc/08/99/51/621089951.db2.gz YJUZFSGSCNRJLT-ILDUYXDCSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000902451800 621092220 /nfs/dbraw/zinc/09/22/20/621092220.db2.gz YAFWAWNWAYGGOJ-DJIMGWMZSA-N 2 0 293.499 2.617 20 0 CFADRP C1=CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000902453391 621093120 /nfs/dbraw/zinc/09/31/20/621093120.db2.gz BYXKKIJAHVTLDU-WNRNVDISSA-N 2 0 292.467 2.870 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902456604 621094034 /nfs/dbraw/zinc/09/40/34/621094034.db2.gz OYVTVTQADDAIFO-AGIUHOORSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461206 621095920 /nfs/dbraw/zinc/09/59/20/621095920.db2.gz MDTBEMPQICBTEC-LTIDMASMSA-N 2 0 292.467 2.846 20 0 CFADRP C1CCC(OC2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)C1 ZINC000902468100 621099891 /nfs/dbraw/zinc/09/98/91/621099891.db2.gz LOCPZPZFVLFUIJ-UIVBHQFXSA-N 2 0 278.440 2.739 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902467606 621100061 /nfs/dbraw/zinc/10/00/61/621100061.db2.gz PMWICQZAKKMNCG-CSYMLDBXSA-N 2 0 262.319 2.590 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(C)ccc1OC ZINC000902491664 621102651 /nfs/dbraw/zinc/10/26/51/621102651.db2.gz YDNDJVYQPFRHRW-YDHLFZDLSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(CC2CCC2)c1 ZINC000902505520 621106869 /nfs/dbraw/zinc/10/68/69/621106869.db2.gz UBFTVIDDCRTRRX-APHBMKBZSA-N 2 0 276.428 2.604 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000902483727 621110430 /nfs/dbraw/zinc/11/04/30/621110430.db2.gz AITPOHSSHCDPGG-SRCQZFHVSA-N 2 0 285.366 2.637 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000902485124 621110697 /nfs/dbraw/zinc/11/06/97/621110697.db2.gz HWEDRAISSIQJOO-WBIUFABUSA-N 2 0 289.379 2.557 20 0 CFADRP CCC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(OC)cc1 ZINC000902488392 621112732 /nfs/dbraw/zinc/11/27/32/621112732.db2.gz MHXRLFJEQHAKRO-NOLJZWGESA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488253 621112777 /nfs/dbraw/zinc/11/27/77/621112777.db2.gz XLDAQEGVFJOAHI-BRWVUGGUSA-N 2 0 276.424 2.555 20 0 CFADRP COCCC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000902487817 621112792 /nfs/dbraw/zinc/11/27/92/621112792.db2.gz UWFBWXYCLBSGHK-RCBQFDQVSA-N 2 0 280.387 2.620 20 0 CFADRP c1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)ccn1 ZINC000902513943 621115182 /nfs/dbraw/zinc/11/51/82/621115182.db2.gz JDHLRJSUUBDAPK-YLFCFFPRSA-N 2 0 271.408 2.510 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000902517406 621115524 /nfs/dbraw/zinc/11/55/24/621115524.db2.gz LRRNHTYGAZBRKP-LYRGGWFBSA-N 2 0 278.827 2.785 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518377 621115730 /nfs/dbraw/zinc/11/57/30/621115730.db2.gz PYTQBAYTZPNDAL-BBRMVZONSA-N 2 0 280.387 2.572 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521358 621116199 /nfs/dbraw/zinc/11/61/99/621116199.db2.gz RMRNDYXQSOQGFP-AETAKHFUSA-N 2 0 288.435 2.545 20 0 CFADRP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CCn1ccnc1 ZINC000902724950 621158288 /nfs/dbraw/zinc/15/82/88/621158288.db2.gz MPTDBLOUFIZOKM-SUMWQHHRSA-N 2 0 285.391 2.805 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902752580 621164773 /nfs/dbraw/zinc/16/47/73/621164773.db2.gz KNNDKSANQVMKCX-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902766369 621169312 /nfs/dbraw/zinc/16/93/12/621169312.db2.gz IWHUWXURMGQIIJ-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000902776415 621171152 /nfs/dbraw/zinc/17/11/52/621171152.db2.gz KQPCOVAZEPLLPU-WBVHZDCISA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)C[C@H](C)O ZINC000902815582 621185303 /nfs/dbraw/zinc/18/53/03/621185303.db2.gz VIEZQXPLYOQWBY-ILXRZTDVSA-N 2 0 287.407 2.930 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902839660 621188596 /nfs/dbraw/zinc/18/85/96/621188596.db2.gz UJPVVXRTHNMBNK-FZKCQIBNSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCCC1 ZINC000902950377 621212461 /nfs/dbraw/zinc/21/24/61/621212461.db2.gz HRSZCPPCNXVKFD-SJUNHDGSSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+]1CCCC1 ZINC000902971287 621220447 /nfs/dbraw/zinc/22/04/47/621220447.db2.gz SFKSXXGSTRBRKS-SMLCLMEVSA-N 2 0 292.467 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(-n2ccnc2)c1 ZINC000903043042 621232987 /nfs/dbraw/zinc/23/29/87/621232987.db2.gz OBDBYUCCTRJSOG-RKVPGOIHSA-N 2 0 298.434 2.863 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000903062266 621237846 /nfs/dbraw/zinc/23/78/46/621237846.db2.gz PXSYINRRQLQYFS-QZTJIDSGSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000903066839 621239416 /nfs/dbraw/zinc/23/94/16/621239416.db2.gz LXMVGGCGQWQDHK-TWMKSMIVSA-N 2 0 295.515 2.673 20 0 CFADRP CC(=O)OCc1cccc([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000903083235 621246145 /nfs/dbraw/zinc/24/61/45/621246145.db2.gz CEGXUTNSGHKLHN-AWEZNQCLSA-N 2 0 292.423 2.742 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2OC)c1 ZINC000903091406 621248823 /nfs/dbraw/zinc/24/88/23/621248823.db2.gz SYNVZTXPTLNERL-SJORKVTESA-N 2 0 276.424 2.795 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000903068843 621249206 /nfs/dbraw/zinc/24/92/06/621249206.db2.gz NXGIIONHRHMVIX-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000903069095 621249380 /nfs/dbraw/zinc/24/93/80/621249380.db2.gz QYFOMYUNNQDODG-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903102877 621253750 /nfs/dbraw/zinc/25/37/50/621253750.db2.gz BUPNZWNSSUDFKQ-ZBSSRIJBSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000903107631 621255874 /nfs/dbraw/zinc/25/58/74/621255874.db2.gz ZSZUHARLHBFKLJ-HPFXQQBRSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H]1C ZINC000903107630 621256254 /nfs/dbraw/zinc/25/62/54/621256254.db2.gz ZSZUHARLHBFKLJ-CVYDXHPNSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CCOC12CCCC2)[NH+]1CCCCC1 ZINC000903146898 621268468 /nfs/dbraw/zinc/26/84/68/621268468.db2.gz CATGDTPGVSRRSI-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000903161987 621271228 /nfs/dbraw/zinc/27/12/28/621271228.db2.gz SAGNRCNVVFEYNZ-XAJHFOFHSA-N 2 0 262.441 2.885 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000903160994 621271237 /nfs/dbraw/zinc/27/12/37/621271237.db2.gz CIOJJBBUGCZEQW-DRPJVOAASA-N 2 0 250.430 2.743 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903171353 621273912 /nfs/dbraw/zinc/27/39/12/621273912.db2.gz OHQSHKMACZZTMZ-ONQFOCNCSA-N 2 0 291.483 2.608 20 0 CFADRP CC1(C)C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903182541 621277146 /nfs/dbraw/zinc/27/71/46/621277146.db2.gz DLJYUHAREXHDMN-YTTRVJOFSA-N 2 0 292.467 2.939 20 0 CFADRP CC1(C)CCC[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903183148 621277475 /nfs/dbraw/zinc/27/74/75/621277475.db2.gz KZEZNARZCBZQAA-ZXFUBFMLSA-N 2 0 291.483 2.608 20 0 CFADRP COC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903184161 621277970 /nfs/dbraw/zinc/27/79/70/621277970.db2.gz ARRIARPAZQTYDG-FHFCWBRESA-N 2 0 278.440 2.691 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccc21 ZINC000903202361 621283870 /nfs/dbraw/zinc/28/38/70/621283870.db2.gz BAPPGZHESMPWAF-YQQAZPJKSA-N 2 0 298.434 2.536 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903189751 621285898 /nfs/dbraw/zinc/28/58/98/621285898.db2.gz HVCTVDXYAZLFRV-AIDGVLJZSA-N 2 0 278.440 2.691 20 0 CFADRP COC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903226688 621287156 /nfs/dbraw/zinc/28/71/56/621287156.db2.gz LWAJPYQHIZNKRU-YTTRVJOFSA-N 2 0 280.456 2.652 20 0 CFADRP C([NH2+][C@H]1CCOC12CCCC2)C1CC[NH+](CC2CC2)CC1 ZINC000903205778 621287856 /nfs/dbraw/zinc/28/78/56/621287856.db2.gz MOMYWKJATJSJBT-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP O[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCC1 ZINC000903212765 621289205 /nfs/dbraw/zinc/28/92/05/621289205.db2.gz LHHLAPFJWLDJFS-ONQFOCNCSA-N 2 0 292.467 2.675 20 0 CFADRP COCC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903216697 621290559 /nfs/dbraw/zinc/29/05/59/621290559.db2.gz GOEJSUZPALNUEK-VHRNVKJDSA-N 2 0 280.456 2.797 20 0 CFADRP CC1(C)CO[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903220514 621292353 /nfs/dbraw/zinc/29/23/53/621292353.db2.gz MLTBWSTUDWGTOZ-YQAQFAQXSA-N 2 0 292.467 2.939 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)C1CC[NH+](C)CC1 ZINC000903246669 621305096 /nfs/dbraw/zinc/30/50/96/621305096.db2.gz QRONGMKTWYOQES-HOCLYGCPSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000903307252 621325572 /nfs/dbraw/zinc/32/55/72/621325572.db2.gz IBTIEHXXNNHIDR-OAHLLOKOSA-N 2 0 290.451 2.616 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1C[C@H]3CCC[C@H]31)C2 ZINC000903318257 621330950 /nfs/dbraw/zinc/33/09/50/621330950.db2.gz PSGGHFGYGOLOHR-BKHBHUSPSA-N 2 0 260.425 2.922 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccnc1 ZINC000903381402 621355308 /nfs/dbraw/zinc/35/53/08/621355308.db2.gz WFIDAZFUFLHNFK-SVGFKBNWSA-N 2 0 273.424 2.853 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccnc1 ZINC000903381401 621355395 /nfs/dbraw/zinc/35/53/95/621355395.db2.gz WFIDAZFUFLHNFK-RKTXRCNFSA-N 2 0 273.424 2.853 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903426271 621370200 /nfs/dbraw/zinc/37/02/00/621370200.db2.gz GJGSVEHJWGJRGA-KMFMINBZSA-N 2 0 274.408 2.960 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000903439110 621376159 /nfs/dbraw/zinc/37/61/59/621376159.db2.gz DLHJYXRLSASKHB-WTTBNOFXSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439951 621376509 /nfs/dbraw/zinc/37/65/09/621376509.db2.gz RIARGMZWJILVPG-HDEZJCGLSA-N 2 0 258.409 2.992 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000903440189 621377130 /nfs/dbraw/zinc/37/71/30/621377130.db2.gz VWXFOUDJOGVKKG-CWVYHPPDSA-N 2 0 280.456 2.639 20 0 CFADRP C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903440902 621377760 /nfs/dbraw/zinc/37/77/60/621377760.db2.gz VECDSBLTIBFIMM-KKXDTOCCSA-N 2 0 288.435 2.824 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000903441339 621377908 /nfs/dbraw/zinc/37/79/08/621377908.db2.gz OCVGZJGGFOWUKK-WBVHZDCISA-N 2 0 287.451 2.574 20 0 CFADRP CCSc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000903420940 621378636 /nfs/dbraw/zinc/37/86/36/621378636.db2.gz HBWSATDESIOHPO-UHFFFAOYSA-N 2 0 264.438 2.969 20 0 CFADRP C[N@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)CC(C)(C)C[NH3+] ZINC000903424958 621379797 /nfs/dbraw/zinc/37/97/97/621379797.db2.gz NESMPVYCCBGHAZ-ZIAGYGMSSA-N 2 0 282.378 2.952 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1C[NH3+] ZINC000903459136 621380604 /nfs/dbraw/zinc/38/06/04/621380604.db2.gz CYVSBYPIHBYGLC-CLHCLYRXSA-N 2 0 272.383 2.583 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000903459745 621380617 /nfs/dbraw/zinc/38/06/17/621380617.db2.gz YSXNBTBCAYMZHH-IVMMDQJWSA-N 2 0 262.397 2.863 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903458619 621380745 /nfs/dbraw/zinc/38/07/45/621380745.db2.gz FPWFZVPTLVRBOI-DYEKYZERSA-N 2 0 250.361 2.640 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000903461598 621381392 /nfs/dbraw/zinc/38/13/92/621381392.db2.gz VJOQGUUYYIFDRV-KEYYUXOJSA-N 2 0 276.399 2.645 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000903464482 621381402 /nfs/dbraw/zinc/38/14/02/621381402.db2.gz PDNYTJMHXZQUFM-KGLIPLIRSA-N 2 0 292.398 2.524 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000903444943 621384169 /nfs/dbraw/zinc/38/41/69/621384169.db2.gz FUOAOIODACDPHY-YXJHDRRASA-N 2 0 281.403 2.888 20 0 CFADRP c1cc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2[nH]1 ZINC000903447354 621384876 /nfs/dbraw/zinc/38/48/76/621384876.db2.gz PKUBKLGRKUPAJF-UHFFFAOYSA-N 2 0 269.392 2.743 20 0 CFADRP FC1(F)[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000903448925 621385682 /nfs/dbraw/zinc/38/56/82/621385682.db2.gz NNUIHMXEQFGXJL-JYJNAYRXSA-N 2 0 292.373 2.721 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903452828 621387182 /nfs/dbraw/zinc/38/71/82/621387182.db2.gz RZHWYHKWGCJZER-ZDUSSCGKSA-N 2 0 260.372 2.743 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903453651 621387539 /nfs/dbraw/zinc/38/75/39/621387539.db2.gz GXDRBJCQHHNAOE-STQMWFEESA-N 2 0 260.372 2.886 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COCc1ccccc1 ZINC000903473094 621389780 /nfs/dbraw/zinc/38/97/80/621389780.db2.gz ZTJMUYYHWCCOHF-NVXWUHKLSA-N 2 0 288.435 2.714 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000903473991 621389975 /nfs/dbraw/zinc/38/99/75/621389975.db2.gz DGUGSYFKHDXRFO-NBZXXOOGSA-N 2 0 270.420 2.577 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC000903481815 621391585 /nfs/dbraw/zinc/39/15/85/621391585.db2.gz NQUOGAGBQWQLMP-APIJFGDWSA-N 2 0 284.394 2.743 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000903481599 621391670 /nfs/dbraw/zinc/39/16/70/621391670.db2.gz HJGGYKXGKQUALT-USXIJHARSA-N 2 0 280.456 2.643 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482109 621392532 /nfs/dbraw/zinc/39/25/32/621392532.db2.gz XPDRPGUSMABEHK-NWDGAFQWSA-N 2 0 258.356 2.686 20 0 CFADRP c1ccc(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484527 621392884 /nfs/dbraw/zinc/39/28/84/621392884.db2.gz AONMBSGUGRMIIZ-INIZCTEOSA-N 2 0 258.409 2.884 20 0 CFADRP c1ccc(COCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483072 621393249 /nfs/dbraw/zinc/39/32/49/621393249.db2.gz CQLZSZMIXYQWOO-KRWDZBQOSA-N 2 0 288.435 2.858 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499799 621393883 /nfs/dbraw/zinc/39/38/83/621393883.db2.gz OOQSAJDAGVQKFH-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499715 621394242 /nfs/dbraw/zinc/39/42/42/621394242.db2.gz MGASVJCSRYWQHN-CHWSQXEVSA-N 2 0 264.438 2.825 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903500030 621394342 /nfs/dbraw/zinc/39/43/42/621394342.db2.gz QVAUQIYXSPDWSP-HZPDHXFCSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1CC[NH3+] ZINC000903496784 621394971 /nfs/dbraw/zinc/39/49/71/621394971.db2.gz DLBFDKDUQGHQRZ-SJLPKXTDSA-N 2 0 290.451 2.553 20 0 CFADRP C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903566678 621396809 /nfs/dbraw/zinc/39/68/09/621396809.db2.gz XTZAXPBQCHNTKE-VYDXJSESSA-N 2 0 258.409 2.864 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717877 621424672 /nfs/dbraw/zinc/42/46/72/621424672.db2.gz FGRFXVAXCBSXTE-FGTMMUONSA-N 2 0 286.419 2.592 20 0 CFADRP C[N@@H+](Cc1ccccc1Cl)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717785 621424691 /nfs/dbraw/zinc/42/46/91/621424691.db2.gz DJJYNNSQWLENHL-ZBFHGGJFSA-N 2 0 294.826 2.540 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718657 621425386 /nfs/dbraw/zinc/42/53/86/621425386.db2.gz QIYYWCNCMOHYJG-XOKHGSTOSA-N 2 0 292.398 2.587 20 0 CFADRP C[N@H+](Cc1ccccc1CF)C1CCC([NH3+])CC1 ZINC000903718021 621425517 /nfs/dbraw/zinc/42/55/17/621425517.db2.gz XXISIBXDRYHZGI-UHFFFAOYSA-N 2 0 250.361 2.858 20 0 CFADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719318 621425552 /nfs/dbraw/zinc/42/55/52/621425552.db2.gz YBRXLJXUUFOBDI-NVXWUHKLSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718191 621425566 /nfs/dbraw/zinc/42/55/66/621425566.db2.gz IETIGWDWGDCIAR-MSOLQXFVSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]2CCCC[C@@H]12 ZINC000903721997 621426195 /nfs/dbraw/zinc/42/61/95/621426195.db2.gz GXGHIBQERNKYEQ-FPSMNIFISA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722447 621427045 /nfs/dbraw/zinc/42/70/45/621427045.db2.gz AWRDCEKOTLZEJR-JKIFEVAISA-N 2 0 292.398 2.587 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C1CC1)C1CCCC1 ZINC000903725341 621427283 /nfs/dbraw/zinc/42/72/83/621427283.db2.gz YSYGUMVSZITIQF-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP CC[N@@H+](Cc1ccccc1C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723977 621427365 /nfs/dbraw/zinc/42/73/65/621427365.db2.gz KJCAVGVUHVBHQF-MSOLQXFVSA-N 2 0 288.435 2.586 20 0 CFADRP CCC(CC)C[N@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724354 621427612 /nfs/dbraw/zinc/42/76/12/621427612.db2.gz MXVHGIKPGBLLLS-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724441 621427646 /nfs/dbraw/zinc/42/76/46/621427646.db2.gz NPZVGTJIMCMSMV-SZMVWBNQSA-N 2 0 288.435 2.756 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724243 621427746 /nfs/dbraw/zinc/42/77/46/621427746.db2.gz MOVJDWTYTGQBNW-LZLYRXPVSA-N 2 0 288.435 2.756 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724438 621427749 /nfs/dbraw/zinc/42/77/49/621427749.db2.gz NPZVGTJIMCMSMV-CGTJXYLNSA-N 2 0 288.435 2.756 20 0 CFADRP CC[C@]1(C)CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728894 621428942 /nfs/dbraw/zinc/42/89/42/621428942.db2.gz GXPHPSOPWGXIGY-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903732610 621430313 /nfs/dbraw/zinc/43/03/13/621430313.db2.gz GWCGTEKMKOEVFE-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP Fc1ccc2c(c1)CCN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903753706 621433003 /nfs/dbraw/zinc/43/30/03/621433003.db2.gz XGACFIKIYPZGNC-CYBMUJFWSA-N 2 0 262.372 2.574 20 0 CFADRP CC(C)C[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903735233 621433828 /nfs/dbraw/zinc/43/38/28/621433828.db2.gz YQOXUAIWNFFZAE-ULQDDVLXSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733621 621433857 /nfs/dbraw/zinc/43/38/57/621433857.db2.gz LQUDLCHDRVLCAU-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)nc1 ZINC000903736150 621434369 /nfs/dbraw/zinc/43/43/69/621434369.db2.gz HCQKBALALVILGF-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP C[N@H+](Cc1ccccc1CF)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903742201 621434767 /nfs/dbraw/zinc/43/47/67/621434767.db2.gz VPMVXZKXMMJPJS-XYPWUTKMSA-N 2 0 262.372 2.871 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3CF)C[C@H]21 ZINC000903744464 621435462 /nfs/dbraw/zinc/43/54/62/621435462.db2.gz SQBAEAKCGWQUKZ-ARFHVFGLSA-N 2 0 262.372 2.715 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3CF)C[C@H]21 ZINC000903744466 621435500 /nfs/dbraw/zinc/43/55/00/621435500.db2.gz SQBAEAKCGWQUKZ-BZUAXINKSA-N 2 0 262.372 2.715 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1C ZINC000903760771 621436316 /nfs/dbraw/zinc/43/63/16/621436316.db2.gz YKLQQRFVBPQAOP-BQFCYCMXSA-N 2 0 288.435 2.723 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903766386 621437393 /nfs/dbraw/zinc/43/73/93/621437393.db2.gz PWOLVSLNMBHGCJ-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000903757934 621438600 /nfs/dbraw/zinc/43/86/00/621438600.db2.gz IRPHOYXSMSFYSI-NXHRZFHOSA-N 2 0 288.435 2.744 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC(C(C)(C)C[NH3+])CC2)o1 ZINC000903790940 621439176 /nfs/dbraw/zinc/43/91/76/621439176.db2.gz JBEUVNYCFKZZTO-GFCCVEGCSA-N 2 0 265.401 2.741 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000903791422 621439207 /nfs/dbraw/zinc/43/92/07/621439207.db2.gz WURUZYBBIFBWIG-MRXNPFEDSA-N 2 0 294.414 2.556 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000903791421 621439278 /nfs/dbraw/zinc/43/92/78/621439278.db2.gz WURUZYBBIFBWIG-INIZCTEOSA-N 2 0 294.414 2.556 20 0 CFADRP [NH3+][C@H]1CCCCCN(Cc2ccccc2CF)C1 ZINC000903775057 621439712 /nfs/dbraw/zinc/43/97/12/621439712.db2.gz GTXDYXSDPYXOLE-HNNXBMFYSA-N 2 0 250.361 2.859 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903777376 621440145 /nfs/dbraw/zinc/44/01/45/621440145.db2.gz APSLKXMBDZMICS-SQNIBIBYSA-N 2 0 292.467 2.657 20 0 CFADRP c1csc(C[C@@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)n1 ZINC000903787176 621442250 /nfs/dbraw/zinc/44/22/50/621442250.db2.gz VBFXLSRHMJWSRQ-LSDHHAIUSA-N 2 0 293.480 2.787 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCC1 ZINC000903811270 621446824 /nfs/dbraw/zinc/44/68/24/621446824.db2.gz KRKIPGPAXPSBLI-QAETUUGQSA-N 2 0 292.467 2.928 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccccn2)CCC1 ZINC000903811557 621446896 /nfs/dbraw/zinc/44/68/96/621446896.db2.gz MXWCMFVMYYHRMK-OAHLLOKOSA-N 2 0 259.397 2.565 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810565 621446968 /nfs/dbraw/zinc/44/69/68/621446968.db2.gz FCOFOPBORLVNDN-HNNXBMFYSA-N 2 0 289.423 2.574 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@H]2CC3(CCC3)CO2)CCC1 ZINC000903810767 621447194 /nfs/dbraw/zinc/44/71/94/621447194.db2.gz HNRSKOJMZGXSJA-HZPDHXFCSA-N 2 0 292.467 2.929 20 0 CFADRP C([C@@H]1CC2CCC1CC2)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819743 621448312 /nfs/dbraw/zinc/44/83/12/621448312.db2.gz NQCGAKIAWNINSZ-JCYILVPMSA-N 2 0 292.467 2.657 20 0 CFADRP Cc1cccc(C)c1C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903826550 621450587 /nfs/dbraw/zinc/45/05/87/621450587.db2.gz LRGMPZANGOCNCE-WMZOPIPTSA-N 2 0 288.435 2.504 20 0 CFADRP C[C@]12C[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826937 621451092 /nfs/dbraw/zinc/45/10/92/621451092.db2.gz OGZWBUANKJOPSU-ZOFXXKQRSA-N 2 0 260.425 2.520 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000903829932 621451530 /nfs/dbraw/zinc/45/15/30/621451530.db2.gz OGYKRRIQZFZZTC-HIFRSBDPSA-N 2 0 261.413 2.676 20 0 CFADRP Clc1cccc2c1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000903829975 621451659 /nfs/dbraw/zinc/45/16/59/621451659.db2.gz PMQJFLACVWXSMO-NSHDSACASA-N 2 0 250.773 2.655 20 0 CFADRP CCCCC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C(C)C ZINC000903882781 621463840 /nfs/dbraw/zinc/46/38/40/621463840.db2.gz CDENHSAMJZLOOP-MRXNPFEDSA-N 2 0 294.487 2.747 20 0 CFADRP C[N@H+](CCc1ccccc1F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903885878 621464875 /nfs/dbraw/zinc/46/48/75/621464875.db2.gz LIYZXUYPHITSMN-VHRNVKJDSA-N 2 0 276.399 2.831 20 0 CFADRP C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000903914578 621465175 /nfs/dbraw/zinc/46/51/75/621465175.db2.gz JLKIAYLARIMDBQ-FFHGMXDLSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1Cc2ccccc2C1 ZINC000903904091 621468736 /nfs/dbraw/zinc/46/87/36/621468736.db2.gz PDFPAVCYKRJLBD-FUCXHRTASA-N 2 0 270.420 2.616 20 0 CFADRP C[C@H](c1ccccn1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903902580 621468799 /nfs/dbraw/zinc/46/87/99/621468799.db2.gz JWTLWPIRHIBRPC-CQSZACIVSA-N 2 0 281.403 2.920 20 0 CFADRP Cc1cnc(C(C)(C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000903902634 621468863 /nfs/dbraw/zinc/46/88/63/621468863.db2.gz LJSDPEQNJSDRIA-YHWZYXNKSA-N 2 0 279.453 2.807 20 0 CFADRP COCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[C@@H](C)C1 ZINC000903912746 621472081 /nfs/dbraw/zinc/47/20/81/621472081.db2.gz IWPDPIUWCLDPNI-AKBNIOSXSA-N 2 0 280.456 2.654 20 0 CFADRP CCCn1c(CNCCC(C)(C)[NH3+])nc2ccccc21 ZINC000903939217 621473598 /nfs/dbraw/zinc/47/35/98/621473598.db2.gz WFSADJPOHMNXPL-UHFFFAOYSA-N 2 0 274.412 2.663 20 0 CFADRP CC(C)Oc1ccc(CNC[C@H]([NH3+])CC(F)F)cc1 ZINC000903922878 621473732 /nfs/dbraw/zinc/47/37/32/621473732.db2.gz GLOYCNNCIAUJRO-GFCCVEGCSA-N 2 0 272.339 2.546 20 0 CFADRP COc1cc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1C ZINC000903924696 621474001 /nfs/dbraw/zinc/47/40/01/621474001.db2.gz HOOUPJMSTRMBGN-ALOPSCKCSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cccc(OCC[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903925587 621474494 /nfs/dbraw/zinc/47/44/94/621474494.db2.gz OMUZVAMRUMJZQG-UHFFFAOYSA-N 2 0 296.414 2.809 20 0 CFADRP CCn1cc(C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cn1 ZINC000903931599 621476391 /nfs/dbraw/zinc/47/63/91/621476391.db2.gz FWMRXQDIFGGAEI-ZXFUBFMLSA-N 2 0 290.455 2.644 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903934004 621477245 /nfs/dbraw/zinc/47/72/45/621477245.db2.gz YODKZKBIMOONDK-PHSGOXPASA-N 2 0 299.462 2.728 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903935923 621477749 /nfs/dbraw/zinc/47/77/49/621477749.db2.gz WEONWLKXHRJMCU-CVEARBPZSA-N 2 0 262.372 2.703 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000903938682 621478161 /nfs/dbraw/zinc/47/81/61/621478161.db2.gz HEVJSUSQUMIGJQ-UHFFFAOYSA-N 2 0 276.302 2.644 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957329 621478967 /nfs/dbraw/zinc/47/89/67/621478967.db2.gz PUUOYWWTGKUYNJ-RKDXNWHRSA-N 2 0 274.277 2.552 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)c1)NCC2 ZINC000903960202 621480354 /nfs/dbraw/zinc/48/03/54/621480354.db2.gz YVIDAOKXPMKQHC-GOSISDBHSA-N 2 0 285.435 2.620 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000903959761 621480532 /nfs/dbraw/zinc/48/05/32/621480532.db2.gz NTYUSSPVNVTVEW-AWEZNQCLSA-N 2 0 250.411 2.714 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903960058 621480562 /nfs/dbraw/zinc/48/05/62/621480562.db2.gz WFSZMOHUBJBIOI-HPTBWKMGSA-N 2 0 274.383 2.791 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903939993 621481797 /nfs/dbraw/zinc/48/17/97/621481797.db2.gz SIPUJDAXJJCSBQ-ZDUSSCGKSA-N 2 0 264.413 2.733 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000903946448 621484661 /nfs/dbraw/zinc/48/46/61/621484661.db2.gz RVKCKGWRMGOIRP-UHFFFAOYSA-N 2 0 290.436 2.637 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903956692 621490815 /nfs/dbraw/zinc/49/08/15/621490815.db2.gz MYYNXECGLFGDFH-UPJWGTAASA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956731 621491090 /nfs/dbraw/zinc/49/10/90/621491090.db2.gz NRFZNZXQOFQWSA-CMPLNLGQSA-N 2 0 274.380 2.514 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000903973842 621492444 /nfs/dbraw/zinc/49/24/44/621492444.db2.gz GVTYDZRQJLLZSE-DGCLKSJQSA-N 2 0 284.350 2.623 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903979012 621493986 /nfs/dbraw/zinc/49/39/86/621493986.db2.gz RXBINPWVKGARNE-UMVBOHGHSA-N 2 0 266.454 2.904 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CC[NH3+] ZINC000903978818 621494106 /nfs/dbraw/zinc/49/41/06/621494106.db2.gz XVFXKKKVJBTVRG-SIXLDLHFSA-N 2 0 258.409 2.707 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000903964311 621495592 /nfs/dbraw/zinc/49/55/92/621495592.db2.gz JDQZSCWUVFLNTP-MNOVXSKESA-N 2 0 293.461 2.817 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000903964259 621495631 /nfs/dbraw/zinc/49/56/31/621495631.db2.gz GTGJBDQHSYLFDA-OCCSQVGLSA-N 2 0 287.432 2.755 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903964689 621495783 /nfs/dbraw/zinc/49/57/83/621495783.db2.gz OUKYUOBEPJLJSU-HIFRSBDPSA-N 2 0 284.403 2.794 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968347 621496796 /nfs/dbraw/zinc/49/67/96/621496796.db2.gz UDCQQNUHCGDHLV-IPYPFGDCSA-N 2 0 278.465 2.785 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968689 621496862 /nfs/dbraw/zinc/49/68/62/621496862.db2.gz YPVUVGOTGBYGMJ-DYEKYZERSA-N 2 0 252.427 2.514 20 0 CFADRP F[C@H]1COc2ccccc2[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903986555 621498766 /nfs/dbraw/zinc/49/87/66/621498766.db2.gz MABHGAXNAAEXRU-MTADEUBHSA-N 2 0 290.382 2.578 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000904298290 621568271 /nfs/dbraw/zinc/56/82/71/621568271.db2.gz UTPCTOZSMRBSJJ-OWCLPIDISA-N 2 0 281.488 2.604 20 0 CFADRP C[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000904307017 621569291 /nfs/dbraw/zinc/56/92/91/621569291.db2.gz ICWWYULXPCFIOZ-IAGOWNOFSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000904312809 621571050 /nfs/dbraw/zinc/57/10/50/621571050.db2.gz ULAFOXKWGOMNDJ-JKSUJKDBSA-N 2 0 281.488 2.700 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311369 621571161 /nfs/dbraw/zinc/57/11/61/621571161.db2.gz ADULWFQRYDXQJZ-KRWDZBQOSA-N 2 0 276.424 2.907 20 0 CFADRP C[N@H+](CCc1ccccc1F)C[C@]1(C)CCC[NH2+]C1 ZINC000904313706 621571707 /nfs/dbraw/zinc/57/17/07/621571707.db2.gz YDJCAVJHDDLCKM-MRXNPFEDSA-N 2 0 264.388 2.690 20 0 CFADRP C[C@H]1SCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000904324108 621575087 /nfs/dbraw/zinc/57/50/87/621575087.db2.gz UVRNJOYSNPALQO-LUYZLQTOSA-N 2 0 276.449 2.902 20 0 CFADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1C[C@@H]([NH3+])C1)CCC2 ZINC000904326446 621576114 /nfs/dbraw/zinc/57/61/14/621576114.db2.gz JYFUCSUICYFPIO-LOWVWBTDSA-N 2 0 279.453 2.752 20 0 CFADRP CCCCO[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904326492 621576317 /nfs/dbraw/zinc/57/63/17/621576317.db2.gz KTDUYPPMCCQWBD-BARDWOONSA-N 2 0 268.445 2.639 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C12CCC2 ZINC000904328703 621576892 /nfs/dbraw/zinc/57/68/92/621576892.db2.gz RHSLMWFPDQHQFN-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000904331789 621577117 /nfs/dbraw/zinc/57/71/17/621577117.db2.gz LWSWANGQNUXTIR-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)C1 ZINC000904341217 621578061 /nfs/dbraw/zinc/57/80/61/621578061.db2.gz KXGWPRDDSKPBDF-FZNQNYSPSA-N 2 0 292.398 2.544 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CNC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904353212 621581167 /nfs/dbraw/zinc/58/11/67/621581167.db2.gz IRAXDPPRKCUGSL-ZWKOTPCHSA-N 2 0 289.467 2.789 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904353211 621581281 /nfs/dbraw/zinc/58/12/81/621581281.db2.gz IRAXDPPRKCUGSL-ROUUACIJSA-N 2 0 289.467 2.789 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904356692 621582321 /nfs/dbraw/zinc/58/23/21/621582321.db2.gz XWOIJYSLRSXAPK-SFHVURJKSA-N 2 0 281.403 2.895 20 0 CFADRP C[C@@]1(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000904360442 621582836 /nfs/dbraw/zinc/58/28/36/621582836.db2.gz KRVVXJYUWRWSIA-RBUKOAKNSA-N 2 0 298.430 2.853 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CCC[NH2+]C1 ZINC000904374310 621584472 /nfs/dbraw/zinc/58/44/72/621584472.db2.gz PLMDPNSWPNDRLN-DLBZAZTESA-N 2 0 274.408 2.529 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904372318 621584894 /nfs/dbraw/zinc/58/48/94/621584894.db2.gz AYNPQXZYTXUVRN-VNQPRFMTSA-N 2 0 258.409 2.992 20 0 CFADRP CSc1cc(C)ccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904363881 621585514 /nfs/dbraw/zinc/58/55/14/621585514.db2.gz PCLFZGUDMFGHNX-UHFFFAOYSA-N 2 0 250.411 2.544 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CC1(CCO)CCCC1 ZINC000904364266 621585517 /nfs/dbraw/zinc/58/55/17/621585517.db2.gz KMJNGGBKXFGENJ-AWEZNQCLSA-N 2 0 270.461 2.672 20 0 CFADRP CC(C)c1nc(CC[NH2+]C[C@@]2(C)CCC[NH2+]C2)cs1 ZINC000904365844 621585770 /nfs/dbraw/zinc/58/57/70/621585770.db2.gz AGDZOTFLWKOVQZ-HNNXBMFYSA-N 2 0 281.469 2.788 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCOc2ccc3ccccc3c2)C1 ZINC000904365096 621585822 /nfs/dbraw/zinc/58/58/22/621585822.db2.gz VUVWHJVCCOLSJA-AKAXFMLLSA-N 2 0 270.376 2.546 20 0 CFADRP C[NH2+]Cc1ccccc1CNC[C@H]([NH3+])CCC(C)(C)C ZINC000904376983 621587208 /nfs/dbraw/zinc/58/72/08/621587208.db2.gz ZVQPNTLSDASGNI-MRXNPFEDSA-N 2 0 277.456 2.649 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)C1 ZINC000904375874 621587219 /nfs/dbraw/zinc/58/72/19/621587219.db2.gz JBDZYNJLJHKPAK-IMJJTQAJSA-N 2 0 276.399 2.960 20 0 CFADRP [NH3+]CC1CC([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000904380805 621588246 /nfs/dbraw/zinc/58/82/46/621588246.db2.gz HBOBBKWXLXTBKA-ASYNLNLVSA-N 2 0 250.773 2.654 20 0 CFADRP Cc1csc([C@H]2CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904384054 621588291 /nfs/dbraw/zinc/58/82/91/621588291.db2.gz HOFXBUUCAAAJQU-DZGCQCFKSA-N 2 0 279.453 2.631 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904384639 621588907 /nfs/dbraw/zinc/58/89/07/621588907.db2.gz KWGLEGPDTCONAO-SFHVURJKSA-N 3 0 295.515 2.676 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904385730 621588980 /nfs/dbraw/zinc/58/89/80/621588980.db2.gz DDKXKTXCDNKZAE-QGZVFWFLSA-N 2 0 298.471 2.533 20 0 CFADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904386394 621589619 /nfs/dbraw/zinc/58/96/19/621589619.db2.gz YKWLLFUXJCULFM-INMHGKMJSA-N 2 0 299.462 2.639 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000904405623 621590150 /nfs/dbraw/zinc/59/01/50/621590150.db2.gz LFZHJXBBNSZHSV-SNVBAGLBSA-N 2 0 288.313 2.598 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904404716 621590183 /nfs/dbraw/zinc/59/01/83/621590183.db2.gz DJEWYADRVGQOPU-CYBMUJFWSA-N 2 0 264.438 2.969 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000904405169 621590238 /nfs/dbraw/zinc/59/02/38/621590238.db2.gz GELZFZMAFIANQS-OAHLLOKOSA-N 2 0 281.403 2.919 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1C[NH3+] ZINC000904409631 621590772 /nfs/dbraw/zinc/59/07/72/621590772.db2.gz DWPKQVUINUUFHB-YOEHRIQHSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@H]1C[NH3+] ZINC000904409628 621590800 /nfs/dbraw/zinc/59/08/00/621590800.db2.gz DWPKQVUINUUFHB-PBHICJAKSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@@H]1C[NH3+] ZINC000904409382 621591045 /nfs/dbraw/zinc/59/10/45/621591045.db2.gz ASQVAJXFCUYWIT-VHSXEESVSA-N 2 0 258.818 2.818 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000904410613 621591615 /nfs/dbraw/zinc/59/16/15/621591615.db2.gz DWEHOILABFONLE-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@@H]1C[NH3+] ZINC000904410577 621591741 /nfs/dbraw/zinc/59/17/41/621591741.db2.gz OZTCSAJDQJGOCQ-DZGCQCFKSA-N 2 0 258.409 2.592 20 0 CFADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410537 621591881 /nfs/dbraw/zinc/59/18/81/621591881.db2.gz HGHNVWBKTSPZEL-UKRRQHHQSA-N 2 0 299.418 2.660 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000904410612 621591938 /nfs/dbraw/zinc/59/19/38/621591938.db2.gz DWEHOILABFONLE-HIFRSBDPSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@H]1C[NH3+] ZINC000904410003 621591979 /nfs/dbraw/zinc/59/19/79/621591979.db2.gz LKGTUNFKKVSHOQ-HIFRSBDPSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@H]1C[NH3+] ZINC000904411276 621592385 /nfs/dbraw/zinc/59/23/85/621592385.db2.gz TVVSDNDHZGLQOL-CJNGLKHVSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@H]1C[NH3+] ZINC000904411275 621592525 /nfs/dbraw/zinc/59/25/25/621592525.db2.gz TVVSDNDHZGLQOL-BBRMVZONSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412869 621593112 /nfs/dbraw/zinc/59/31/12/621593112.db2.gz YCAYBRWPWMWQOU-HOCLYGCPSA-N 2 0 298.434 2.597 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000904412008 621593335 /nfs/dbraw/zinc/59/33/35/621593335.db2.gz ZMEIBPHLZIFERV-CQSZACIVSA-N 2 0 291.414 2.597 20 0 CFADRP c1cc2cnccc2c(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000904430897 621595476 /nfs/dbraw/zinc/59/54/76/621595476.db2.gz NHPBQBCBTKETLL-GOSISDBHSA-N 2 0 281.403 2.953 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000904417622 621596527 /nfs/dbraw/zinc/59/65/27/621596527.db2.gz JSGQSFVRHNRXHE-ZMSDIMECSA-N 2 0 260.425 2.782 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000904443683 621598469 /nfs/dbraw/zinc/59/84/69/621598469.db2.gz JMJRCJBLNIBHFU-OAHLLOKOSA-N 2 0 275.440 2.940 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)cc2c1OCC2 ZINC000904444311 621598526 /nfs/dbraw/zinc/59/85/26/621598526.db2.gz PVKWYBJBQQDVGF-BREBYQMCSA-N 2 0 280.799 2.663 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000904443364 621598683 /nfs/dbraw/zinc/59/86/83/621598683.db2.gz HGXAVSLKJXFPOK-MCIONIFRSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccsc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000904444696 621599580 /nfs/dbraw/zinc/59/95/80/621599580.db2.gz RSOWHDSRAXXKOA-UHFFFAOYSA-N 2 0 282.453 2.954 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)s1 ZINC000904859986 621655587 /nfs/dbraw/zinc/65/55/87/621655587.db2.gz VGJKUGVUWVJJQD-UHFFFAOYSA-N 2 0 290.436 2.598 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000904919006 621672661 /nfs/dbraw/zinc/67/26/61/621672661.db2.gz JUOKYMLVXFXLSR-INIZCTEOSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@H](c1nc(CC2CC[NH2+]CC2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000905311275 621738364 /nfs/dbraw/zinc/73/83/64/621738364.db2.gz SQECSYIBCMOPGP-JHJVBQTASA-N 2 0 292.427 2.546 20 0 CFADRP CC[C@@](O)(C[NH2+]C1CCC(C)([NH+](C)C)CC1)C(F)(F)F ZINC000905405043 621759952 /nfs/dbraw/zinc/75/99/52/621759952.db2.gz NSOOVPNWQGDDHO-WXRRBKDZSA-N 2 0 296.377 2.542 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000905601315 621795895 /nfs/dbraw/zinc/79/58/95/621795895.db2.gz QHQHCNQTGFJQEB-LXPRWKDFSA-N 2 0 288.435 2.717 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000924805033 621938583 /nfs/dbraw/zinc/93/85/83/621938583.db2.gz YIDLMAIHUAZZIK-RHSMWYFYSA-N 2 0 276.424 2.968 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000071627266 625536734 /nfs/dbraw/zinc/53/67/34/625536734.db2.gz NNBDKWWKQJXQGR-AWEZNQCLSA-N 2 0 276.424 2.989 20 0 CFADRP CCC[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000149506921 622189257 /nfs/dbraw/zinc/18/92/57/622189257.db2.gz PPXOYWZZLFFWHF-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000165076265 622200469 /nfs/dbraw/zinc/20/04/69/622200469.db2.gz RETGMSXXAZPOSV-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]Cc1cccc(NC(=O)[C@H](C[NH3+])C2CCCCCC2)c1 ZINC000911648544 622533593 /nfs/dbraw/zinc/53/35/93/622533593.db2.gz LPBUTOABYALYTK-MRXNPFEDSA-N 2 0 289.423 2.629 20 0 CFADRP C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820803365 622759640 /nfs/dbraw/zinc/75/96/40/622759640.db2.gz MYCHNVMWIJXYBV-CCNLRDMRSA-N 2 0 288.435 2.543 20 0 CFADRP CSC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820813077 622764352 /nfs/dbraw/zinc/76/43/52/622764352.db2.gz YJAPTHQJUWVIRG-QXMXGUDHSA-N 2 0 268.470 2.875 20 0 CFADRP C[C@@H](O)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820823877 622766321 /nfs/dbraw/zinc/76/63/21/622766321.db2.gz PWCVESZKDYIYEA-WPXLMEDKSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820824000 622766438 /nfs/dbraw/zinc/76/64/38/622766438.db2.gz PWCVESZKDYIYEA-WYQXTGKHSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@@H]1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@@H](C)O1 ZINC000820829749 622768561 /nfs/dbraw/zinc/76/85/61/622768561.db2.gz MGIKBHSEEXXAAG-CSUXTCAISA-N 2 0 278.440 2.690 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000165070348 622979305 /nfs/dbraw/zinc/97/93/05/622979305.db2.gz MTCHUXBBNZUJQG-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP C[N@H+](Cc1cncc2ccccc21)CC(C)(C)C[NH3+] ZINC000165081817 622980039 /nfs/dbraw/zinc/98/00/39/622980039.db2.gz BLUGJDBSCOZEQP-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1F ZINC000227183839 623099317 /nfs/dbraw/zinc/09/93/17/623099317.db2.gz DRQBFPHPJYDXRD-JSGCOSHPSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227537256 623111604 /nfs/dbraw/zinc/11/16/04/623111604.db2.gz WVBKGUBJIQOYTE-LYRGGWFBSA-N 2 0 256.349 2.945 20 0 CFADRP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227538411 623112123 /nfs/dbraw/zinc/11/21/23/623112123.db2.gz PZGSJUCOYVKGPE-XKQJLSEDSA-N 2 0 275.440 2.697 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc4ccccc43)C[C@H]21 ZINC000227996891 623124500 /nfs/dbraw/zinc/12/45/00/623124500.db2.gz OOCBPFHLQINZOL-ZTFGCOKTSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000228475174 623144827 /nfs/dbraw/zinc/14/48/27/623144827.db2.gz FMKFRNLUQALWGA-UXIGCNINSA-N 2 0 264.800 2.899 20 0 CFADRP CN(Cc1ccc(F)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862359 623300409 /nfs/dbraw/zinc/30/04/09/623300409.db2.gz XXMWBWNJBORPBS-HNNXBMFYSA-N 2 0 250.361 2.647 20 0 CFADRP CN(Cc1ccccc1F)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862353 623300466 /nfs/dbraw/zinc/30/04/66/623300466.db2.gz CMXDRMNOQFKCNS-HNNXBMFYSA-N 2 0 250.361 2.647 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1OCC2 ZINC000063197497 623333021 /nfs/dbraw/zinc/33/30/21/623333021.db2.gz MNABQXGWBGJDNM-KRWDZBQOSA-N 2 0 286.419 2.586 20 0 CFADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000823596826 623357000 /nfs/dbraw/zinc/35/70/00/623357000.db2.gz WIGBODVOLUNOSG-QZTJIDSGSA-N 2 0 288.435 2.574 20 0 CFADRP C[Si](C)(C)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173882545 623373612 /nfs/dbraw/zinc/37/36/12/623373612.db2.gz PQGYLIWPISEMCF-CQSZACIVSA-N 2 0 254.494 2.672 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cc(F)ncc2F)CC1 ZINC000823812877 623399994 /nfs/dbraw/zinc/39/99/94/623399994.db2.gz QWFYPRFBEAQKOT-UHFFFAOYSA-N 2 0 283.366 2.571 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000089147609 623574792 /nfs/dbraw/zinc/57/47/92/623574792.db2.gz AJQSXZSTVMSZAB-SJORKVTESA-N 2 0 293.499 2.892 20 0 CFADRP Cc1nc(F)ccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000824914114 623587068 /nfs/dbraw/zinc/58/70/68/623587068.db2.gz LWRGOZOQGBWDPF-UHFFFAOYSA-N 2 0 267.392 2.739 20 0 CFADRP CC(C)[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000824988459 623600980 /nfs/dbraw/zinc/60/09/80/623600980.db2.gz LPNVFECBKMYWMO-UCHQMPSGSA-N 2 0 280.456 2.652 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC4(CCC4)O3)CC[C@@H]21 ZINC000929847194 623935345 /nfs/dbraw/zinc/93/53/45/623935345.db2.gz LVBWJLLKNFSHMW-IKGGRYGDSA-N 2 0 292.467 2.894 20 0 CFADRP CC(C)CC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000827786355 624093079 /nfs/dbraw/zinc/09/30/79/624093079.db2.gz KUIMIOOUORTWSF-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000834536742 625704108 /nfs/dbraw/zinc/70/41/08/625704108.db2.gz REBVLQUYUIAVMM-UHFFFAOYSA-N 2 0 277.412 2.596 20 0 CFADRP CN(CCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000828571215 624270746 /nfs/dbraw/zinc/27/07/46/624270746.db2.gz NSJDYKSMLPTEFB-SFHVURJKSA-N 2 0 287.451 2.541 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)C ZINC000930060895 624531515 /nfs/dbraw/zinc/53/15/15/624531515.db2.gz NPNIJNKBDVDJJV-RYRKJORJSA-N 2 0 294.483 2.854 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925480051 624719735 /nfs/dbraw/zinc/71/97/35/624719735.db2.gz ULXQSTYDVRZFGZ-KGLIPLIRSA-N 2 0 294.414 2.872 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(Cl)Cl)CC[N@@H+]1C ZINC000834882752 625908139 /nfs/dbraw/zinc/90/81/39/625908139.db2.gz ASVQFPPASOSARL-MXWKQRLJSA-N 2 0 265.228 2.643 20 0 CFADRP O=c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc[nH]1 ZINC000921511813 625952814 /nfs/dbraw/zinc/95/28/14/625952814.db2.gz GYRCHPPYOCTHTB-UHFFFAOYSA-N 2 0 297.402 2.673 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000921550431 625985035 /nfs/dbraw/zinc/98/50/35/625985035.db2.gz PYUZXFTUTGGXTK-XOKHGSTOSA-N 2 0 286.419 2.726 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](SC)C2)CC1 ZINC000921686843 626079617 /nfs/dbraw/zinc/07/96/17/626079617.db2.gz PSVAILSDHFJTGN-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP O=c1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)cc[nH]1 ZINC000921687009 626079863 /nfs/dbraw/zinc/07/98/63/626079863.db2.gz VDEWZRZKXLXWRE-UHFFFAOYSA-N 2 0 291.439 2.923 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000230286813 626102177 /nfs/dbraw/zinc/10/21/77/626102177.db2.gz SHRJHKZNRLCXTG-IRXDYDNUSA-N 2 0 282.387 2.972 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921820485 626144418 /nfs/dbraw/zinc/14/44/18/626144418.db2.gz OKFDVZUAIPCXSU-UHFFFAOYSA-N 2 0 291.439 2.635 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000922070811 626203359 /nfs/dbraw/zinc/20/33/59/626203359.db2.gz ZVRALOXSWRPFAP-UHFFFAOYSA-N 2 0 296.846 2.590 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000922136997 626215665 /nfs/dbraw/zinc/21/56/65/626215665.db2.gz IGDFRJSPLAKOQO-BFHYXJOUSA-N 2 0 258.475 2.979 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2O1 ZINC000922164999 626228259 /nfs/dbraw/zinc/22/82/59/626228259.db2.gz UVMRTCKBFHJYEQ-FCLXEUQJSA-N 2 0 286.419 2.725 20 0 CFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCC(C)C)C2)[C@@H]1C(C)C ZINC000922396072 626283474 /nfs/dbraw/zinc/28/34/74/626283474.db2.gz ZWUZWNDLHFTDHF-ZJPYXAASSA-N 2 0 296.499 2.882 20 0 CFADRP Cc1nn(C)cc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922505950 626299353 /nfs/dbraw/zinc/29/93/53/626299353.db2.gz VSTPALMPNHUDQO-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP Cc1nocc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922506421 626299362 /nfs/dbraw/zinc/29/93/62/626299362.db2.gz ZQUWWADZTLRHAO-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP Cc1nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[nH]c1C ZINC000922505125 626299458 /nfs/dbraw/zinc/29/94/58/626299458.db2.gz RMMLZLDJQNILLD-UHFFFAOYSA-N 2 0 290.455 2.913 20 0 CFADRP CCO[C@@H](CNCc1ccc(F)c(Cl)c1)C[NH+](C)C ZINC000922757400 626359246 /nfs/dbraw/zinc/35/92/46/626359246.db2.gz GDGLUKIWKCCFNR-LBPRGKRZSA-N 2 0 288.794 2.535 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCS1 ZINC000922836841 626376446 /nfs/dbraw/zinc/37/64/46/626376446.db2.gz DSSSUDMIFMODBY-STQMWFEESA-N 2 0 288.420 2.641 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)O1 ZINC000922844342 626378783 /nfs/dbraw/zinc/37/87/83/626378783.db2.gz COQIOBMICWPUPX-LFOPHDTNSA-N 2 0 266.429 2.549 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923301910 626464342 /nfs/dbraw/zinc/46/43/42/626464342.db2.gz ZUOQQRAXYNRPGQ-CYBMUJFWSA-N 2 0 262.397 2.830 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308050 626464367 /nfs/dbraw/zinc/46/43/67/626464367.db2.gz ZKOHDIUVKFKHPG-SJORKVTESA-N 2 0 288.435 2.838 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923308447 626464514 /nfs/dbraw/zinc/46/45/14/626464514.db2.gz CTFWPWVEAAOKAC-KRWDZBQOSA-N 2 0 288.435 2.844 20 0 CFADRP COCC[N@H+](CCC[NH2+]C1CC1)[C@H](C)c1ccccc1 ZINC000923306109 626464852 /nfs/dbraw/zinc/46/48/52/626464852.db2.gz QKWLFWYZIIPTGI-OAHLLOKOSA-N 2 0 276.424 2.838 20 0 CFADRP CCC(CC)[N@H+](CC(C)C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923314457 626465229 /nfs/dbraw/zinc/46/52/29/626465229.db2.gz HZMDZFDUNBXWCU-HNNXBMFYSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923319029 626465482 /nfs/dbraw/zinc/46/54/82/626465482.db2.gz SNIFFILABJMMAX-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000923324405 626466450 /nfs/dbraw/zinc/46/64/50/626466450.db2.gz GWZJJQZOMPGHOO-QCLGFWRNSA-N 3 0 293.499 2.712 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923365728 626468933 /nfs/dbraw/zinc/46/89/33/626468933.db2.gz XQYKSGHDGJKRCR-OAHLLOKOSA-N 2 0 277.412 2.509 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923361015 626468990 /nfs/dbraw/zinc/46/89/90/626468990.db2.gz GKCJRCUMXNEXBR-RCCFBDPRSA-N 2 0 294.483 2.639 20 0 CFADRP C(C[NH2+]C1CC1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000923369918 626469110 /nfs/dbraw/zinc/46/91/10/626469110.db2.gz AARKDDYBZUMDLS-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923370389 626469171 /nfs/dbraw/zinc/46/91/71/626469171.db2.gz GDKDVVQWYSNJOT-QDZFIJTISA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1c(F)cccc1Cl ZINC000923378372 626469322 /nfs/dbraw/zinc/46/93/22/626469322.db2.gz KGKOIZOQRNSWLM-GHMZBOCLSA-N 2 0 298.789 2.508 20 0 CFADRP c1ccc([C@H]2C[NH2+]CCN2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923375887 626469371 /nfs/dbraw/zinc/46/93/71/626469371.db2.gz RCDUAKVICMOURT-ZCTYVAAUSA-N 2 0 299.462 2.554 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000923381495 626469592 /nfs/dbraw/zinc/46/95/92/626469592.db2.gz JCUMZMAMDWNALQ-GUDVDZBRSA-N 2 0 298.430 2.603 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923383632 626469793 /nfs/dbraw/zinc/46/97/93/626469793.db2.gz LBOIARXGSUFWIG-JRACIQGZSA-N 2 0 292.467 2.798 20 0 CFADRP [NH3+][C@H]1CCc2ccccc2N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923392161 626470266 /nfs/dbraw/zinc/47/02/66/626470266.db2.gz QQNSURBDZBYULL-ASDXVTRWSA-N 2 0 299.462 2.687 20 0 CFADRP C(C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923388287 626470280 /nfs/dbraw/zinc/47/02/80/626470280.db2.gz NOTSPALJACRGTP-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448243 626473468 /nfs/dbraw/zinc/47/34/68/626473468.db2.gz AHDMPZRTAYEKOP-BBRMVZONSA-N 2 0 292.398 2.717 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923456938 626473739 /nfs/dbraw/zinc/47/37/39/626473739.db2.gz SKBPAOFWHAAFGC-KRWDZBQOSA-N 2 0 288.435 2.633 20 0 CFADRP C[C@@H](c1ccccc1F)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450731 626473852 /nfs/dbraw/zinc/47/38/52/626473852.db2.gz WZCOVWYPPFCJAF-KBPBESRZSA-N 2 0 292.398 2.717 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1Cl ZINC000923480979 626475826 /nfs/dbraw/zinc/47/58/26/626475826.db2.gz NGGAODYZLXTPQK-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000923479638 626475846 /nfs/dbraw/zinc/47/58/46/626475846.db2.gz RAQWCKHSHYDLSB-ZDUSSCGKSA-N 2 0 287.432 2.981 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495647 626476203 /nfs/dbraw/zinc/47/62/03/626476203.db2.gz DMKHGHQDBOUASC-JKSUJKDBSA-N 2 0 276.424 2.681 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC000923488095 626476457 /nfs/dbraw/zinc/47/64/57/626476457.db2.gz DFSKVSPHPCGFEZ-GOEBONIOSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncccc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923489434 626476526 /nfs/dbraw/zinc/47/65/26/626476526.db2.gz JXYMONVJHMHCLE-WDEREUQCSA-N 2 0 287.329 2.517 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000923489283 626476612 /nfs/dbraw/zinc/47/66/12/626476612.db2.gz DPUKXPKHNIGEBQ-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1C[NH3+] ZINC000923491405 626476692 /nfs/dbraw/zinc/47/66/92/626476692.db2.gz RIJMABGXBPGOMU-GUYCJALGSA-N 2 0 258.409 2.981 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923502547 626476964 /nfs/dbraw/zinc/47/69/64/626476964.db2.gz ZWOVWYFVKZVIDB-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923494481 626477014 /nfs/dbraw/zinc/47/70/14/626477014.db2.gz NHTPXTGUMUCSJC-GHMZBOCLSA-N 2 0 252.324 2.636 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1C[NH3+] ZINC000923495109 626477039 /nfs/dbraw/zinc/47/70/39/626477039.db2.gz TUQWGPDLWYYRKV-DYVFJYSZSA-N 2 0 258.409 2.592 20 0 CFADRP C[C@@H]1C[N@H+](CCCOCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499020 626477060 /nfs/dbraw/zinc/47/70/60/626477060.db2.gz QAPUXBDZQROIKE-WBVHZDCISA-N 2 0 276.424 2.510 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923497491 626477062 /nfs/dbraw/zinc/47/70/62/626477062.db2.gz MJDVYLNPENEGTM-DZGCQCFKSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000923496964 626477104 /nfs/dbraw/zinc/47/71/04/626477104.db2.gz DBECXIFICFTHJA-HIFRSBDPSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@H]1C[NH3+] ZINC000923497492 626477116 /nfs/dbraw/zinc/47/71/16/626477116.db2.gz MJDVYLNPENEGTM-HIFRSBDPSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000923496968 626477221 /nfs/dbraw/zinc/47/72/21/626477221.db2.gz DBECXIFICFTHJA-ZFWWWQNUSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@@H]1C[NH3+] ZINC000923500389 626477370 /nfs/dbraw/zinc/47/73/70/626477370.db2.gz OFUNDPPJSJHBEU-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923505415 626477687 /nfs/dbraw/zinc/47/76/87/626477687.db2.gz CGLNSTYZRQVVPF-YQQAZPJKSA-N 2 0 280.456 2.513 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923505254 626477806 /nfs/dbraw/zinc/47/78/06/626477806.db2.gz ZDSBTGNORADEOC-TZMCWYRMSA-N 2 0 264.438 2.825 20 0 CFADRP c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)nc1 ZINC000923506747 626477846 /nfs/dbraw/zinc/47/78/46/626477846.db2.gz KVMBXBHKTHTTSA-HNNXBMFYSA-N 2 0 273.424 2.683 20 0 CFADRP Cl/C=C/C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508451 626478048 /nfs/dbraw/zinc/47/80/48/626478048.db2.gz VMGPNTJKXVBBSY-VRMVNXKISA-N 2 0 256.821 2.841 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515575 626478180 /nfs/dbraw/zinc/47/81/80/626478180.db2.gz HKANGBHIDKOJMN-GOEBONIOSA-N 2 0 287.451 2.809 20 0 CFADRP CCSc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516235 626478203 /nfs/dbraw/zinc/47/82/03/626478203.db2.gz WHKASCORYXFKHU-DZGCQCFKSA-N 2 0 276.449 2.840 20 0 CFADRP FC(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CC[NH2+]C1 ZINC000923526443 626478559 /nfs/dbraw/zinc/47/85/59/626478559.db2.gz QMBVBRSGKYIUTM-FUDCBSFHSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@@]1(Cc2cccs2)CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923530722 626478926 /nfs/dbraw/zinc/47/89/26/626478926.db2.gz IOBBYOCYNOHUSC-ZFWWWQNUSA-N 2 0 264.438 2.755 20 0 CFADRP CC(C)C[C@H]1CN(C)CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923555711 626479620 /nfs/dbraw/zinc/47/96/20/626479620.db2.gz UQGNFXVVSKTIOI-FBVQUNGASA-N 2 0 293.499 2.569 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000839011204 626520297 /nfs/dbraw/zinc/52/02/97/626520297.db2.gz IDLAHTCSMPVGHP-UHFFFAOYSA-N 2 0 298.471 2.677 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc4c(n3)CCC4)C2)CC1 ZINC000839073240 626522929 /nfs/dbraw/zinc/52/29/29/626522929.db2.gz JRVCBZPTINFBBQ-UHFFFAOYSA-N 2 0 299.462 2.878 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cnc1Cl ZINC000839181367 626529995 /nfs/dbraw/zinc/52/99/95/626529995.db2.gz HQLYICNJKSUMML-ZDUSSCGKSA-N 2 0 281.831 2.865 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000843057489 626551822 /nfs/dbraw/zinc/55/18/22/626551822.db2.gz PDPWHDPIBJAMFE-UHFFFAOYSA-N 2 0 274.408 2.538 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000757673824 626557562 /nfs/dbraw/zinc/55/75/62/626557562.db2.gz KURVFOWKYVLNOB-CYBMUJFWSA-N 2 0 299.846 2.744 20 0 CFADRP COC1CC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000757677564 626557813 /nfs/dbraw/zinc/55/78/13/626557813.db2.gz SVAXQWBLLLGZAG-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000851750405 634511126 /nfs/dbraw/zinc/51/11/26/634511126.db2.gz FCAXXYYSLCMNPH-HZPDHXFCSA-N 2 0 268.445 2.606 20 0 CFADRP FCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762927473 626951810 /nfs/dbraw/zinc/95/18/10/626951810.db2.gz UDFUZBHVWQGHOJ-UHFFFAOYSA-N 2 0 276.399 2.944 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2F)[C@H](C)C1 ZINC000764930341 627107250 /nfs/dbraw/zinc/10/72/50/627107250.db2.gz SJLXYCTVJJKIJF-ZBFHGGJFSA-N 2 0 294.414 2.915 20 0 CFADRP C[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC12CCCCC2 ZINC000765087426 627118440 /nfs/dbraw/zinc/11/84/40/627118440.db2.gz LXJZUDDECNPOKD-DLBZAZTESA-N 2 0 294.483 2.735 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000765307158 627130312 /nfs/dbraw/zinc/13/03/12/627130312.db2.gz WXQGOIHZAFCYEP-ZIAGYGMSSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000765332312 627131026 /nfs/dbraw/zinc/13/10/26/627131026.db2.gz IROGXMLWRCDNKQ-GJZGRUSLSA-N 2 0 288.435 2.558 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCCCCCC2)CC1 ZINC000766598860 627210613 /nfs/dbraw/zinc/21/06/13/627210613.db2.gz HINBKIFMBCWSLC-UHFFFAOYSA-N 2 0 282.472 2.924 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cnc1Cl ZINC000768303397 627332276 /nfs/dbraw/zinc/33/22/76/627332276.db2.gz NNDFXZHNMBBNCN-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP CCc1noc(C)c1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000769870178 627482857 /nfs/dbraw/zinc/48/28/57/627482857.db2.gz DVNKABCDWVYQSS-LLVKDONJSA-N 2 0 265.401 2.538 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOCC2CCC2)cc1 ZINC000770292897 627511887 /nfs/dbraw/zinc/51/18/87/627511887.db2.gz OGXDODVKZQFZQQ-UHFFFAOYSA-N 2 0 290.451 2.997 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccnn1C ZINC000774218728 627904779 /nfs/dbraw/zinc/90/47/79/627904779.db2.gz PMTIEFCKMJLAQA-FHERZECASA-N 2 0 290.455 2.868 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000777583869 628238695 /nfs/dbraw/zinc/23/86/95/628238695.db2.gz IDGICRPKFXZQCV-HNNXBMFYSA-N 2 0 250.361 2.540 20 0 CFADRP C[C@H]1C[C@@H](Nc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1C ZINC000777699876 628246392 /nfs/dbraw/zinc/24/63/92/628246392.db2.gz FQAJCGHNADXHTB-WFASDCNBSA-N 2 0 279.403 2.782 20 0 CFADRP C[C@@H]1C[C@@H](Nc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1C ZINC000777699873 628246712 /nfs/dbraw/zinc/24/67/12/628246712.db2.gz FQAJCGHNADXHTB-DOMZBBRYSA-N 2 0 279.403 2.782 20 0 CFADRP C[C@H](CCCCO)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000779078893 628350051 /nfs/dbraw/zinc/35/00/51/628350051.db2.gz OKTLGQGMZFDQCH-KLAILNCOSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000779342673 628375714 /nfs/dbraw/zinc/37/57/14/628375714.db2.gz VLKGKOLXNJMMNX-INIZCTEOSA-N 2 0 290.451 2.923 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000779341674 628375723 /nfs/dbraw/zinc/37/57/23/628375723.db2.gz JZXHAEKVUIKCBS-HNNXBMFYSA-N 2 0 276.424 2.533 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@]1(C)CC1(Cl)Cl)C2 ZINC000852105364 634658525 /nfs/dbraw/zinc/65/85/25/634658525.db2.gz ASSAAGOIJSYRBL-QWHCGFSZSA-N 2 0 291.266 2.988 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000785837242 628916383 /nfs/dbraw/zinc/91/63/83/628916383.db2.gz MLZCDEUGCHSRDT-OLZOCXBDSA-N 2 0 285.391 2.772 20 0 CFADRP CC(C)([NH2+]CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000786158307 628939909 /nfs/dbraw/zinc/93/99/09/628939909.db2.gz WWCBZJCMSFJFLP-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CCC[C@H]1C ZINC000786831676 628981103 /nfs/dbraw/zinc/98/11/03/628981103.db2.gz YTVAKKVGWBQTQQ-INMHGKMJSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788540443 629080286 /nfs/dbraw/zinc/08/02/86/629080286.db2.gz RLTPVFYQJKBOFU-QLFBSQMISA-N 2 0 291.439 2.806 20 0 CFADRP Cc1cnc(C(C)(C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000790081698 629209316 /nfs/dbraw/zinc/20/93/16/629209316.db2.gz GGUBAGGRTIFSBQ-UHFFFAOYSA-N 2 0 267.442 2.618 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000795322618 629761880 /nfs/dbraw/zinc/76/18/80/629761880.db2.gz XJWSEEVTJAKJIN-FUHWJXTLSA-N 2 0 270.420 2.744 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC000795338389 629763306 /nfs/dbraw/zinc/76/33/06/629763306.db2.gz OOLANZWNMBVRDU-INIZCTEOSA-N 2 0 262.372 2.684 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000796695383 629951169 /nfs/dbraw/zinc/95/11/69/629951169.db2.gz PDTNARMUFUVSKY-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925487655 634793117 /nfs/dbraw/zinc/79/31/17/634793117.db2.gz NFERGMNAHSRDCM-YQQAZPJKSA-N 2 0 289.467 2.846 20 0 CFADRP COc1cccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1Cl ZINC000852747967 634821964 /nfs/dbraw/zinc/82/19/64/634821964.db2.gz DVEFVRUGBRJTKN-INIZCTEOSA-N 2 0 294.826 2.924 20 0 CFADRP C[NH+]1CCCC[C@H]1CCC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000803858875 630649299 /nfs/dbraw/zinc/64/92/99/630649299.db2.gz TZPCKAMHUFPTAG-JKSUJKDBSA-N 2 0 296.455 2.669 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806137576 630771684 /nfs/dbraw/zinc/77/16/84/630771684.db2.gz LINUKQMFZIMPJW-ZDUSSCGKSA-N 2 0 279.815 2.654 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000808711595 631033163 /nfs/dbraw/zinc/03/31/63/631033163.db2.gz MCRXORGXJMQYRM-SFHVURJKSA-N 2 0 290.451 2.774 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000809632846 631251582 /nfs/dbraw/zinc/25/15/82/631251582.db2.gz YHXVBADFHUPKLD-QWHCGFSZSA-N 2 0 299.484 2.797 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000841008434 631304146 /nfs/dbraw/zinc/30/41/46/631304146.db2.gz PHENTQYVDOWWAL-CQSZACIVSA-N 2 0 297.240 2.805 20 0 CFADRP COCc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841032158 631312651 /nfs/dbraw/zinc/31/26/51/631312651.db2.gz NGCPMPWGJHWOIH-UHFFFAOYSA-N 2 0 284.403 2.624 20 0 CFADRP CCCCCC[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000841067858 631329053 /nfs/dbraw/zinc/32/90/53/631329053.db2.gz PZLPENXNNQPRLS-GJZGRUSLSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000841086618 631334936 /nfs/dbraw/zinc/33/49/36/631334936.db2.gz JRZOTNFKYZTGNU-INMHGKMJSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000841096012 631338308 /nfs/dbraw/zinc/33/83/08/631338308.db2.gz QMNLUYMWQFLLBA-ZMYBRWDISA-N 2 0 298.430 2.993 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)oc21 ZINC000841101630 631339488 /nfs/dbraw/zinc/33/94/88/631339488.db2.gz XBXSBSDFCGEBSG-JSGCOSHPSA-N 2 0 288.391 2.858 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])Cc1ccc2c(c1)OCCO2 ZINC000842471615 631639687 /nfs/dbraw/zinc/63/96/87/631639687.db2.gz MOZLRSZJQNAVAL-UHFFFAOYSA-N 2 0 292.423 2.799 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000842476436 631640001 /nfs/dbraw/zinc/64/00/01/631640001.db2.gz OJGQPPPQJGUDBU-SFHVURJKSA-N 2 0 290.451 2.839 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000842476196 631640657 /nfs/dbraw/zinc/64/06/57/631640657.db2.gz JATNTLDBNIBMSN-SJLPKXTDSA-N 3 0 293.499 2.844 20 0 CFADRP [NH3+]CCCCCCCN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000842478564 631641890 /nfs/dbraw/zinc/64/18/90/631641890.db2.gz KVFVPGSHQCXOKP-QGZVFWFLSA-N 2 0 275.440 2.542 20 0 CFADRP Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000842478516 631642109 /nfs/dbraw/zinc/64/21/09/631642109.db2.gz KFSIOOWSZCGZGO-INIZCTEOSA-N 2 0 278.444 2.856 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(-n2ccnc2)cc1 ZINC000843054422 631817800 /nfs/dbraw/zinc/81/78/00/631817800.db2.gz YRDKQCQJLYJNSB-ZNXRZULTSA-N 2 0 296.418 2.717 20 0 CFADRP COc1nc2ccccc2cc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055621 631819126 /nfs/dbraw/zinc/81/91/26/631819126.db2.gz IHFFFTDTMKJJIY-UHFFFAOYSA-N 2 0 299.418 2.945 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)oc21 ZINC000843058491 631821872 /nfs/dbraw/zinc/82/18/72/631821872.db2.gz ULRDNAMQUPWION-YPMHNXCESA-N 2 0 274.364 2.611 20 0 CFADRP CCCCn1nc(C)c(CN2C[C@H](C[NH3+])C[C@H]2C)c1Cl ZINC000843058135 631821889 /nfs/dbraw/zinc/82/18/89/631821889.db2.gz PXBXCGNLACDEQL-YPMHNXCESA-N 2 0 298.862 2.814 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(-c2ccnn2C)c1 ZINC000843105341 631836626 /nfs/dbraw/zinc/83/66/26/631836626.db2.gz ULZGGGQBKGMBSK-UHFFFAOYSA-N 2 0 298.434 2.755 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000843107982 631837681 /nfs/dbraw/zinc/83/76/81/631837681.db2.gz WHGIPYOKTKFPKS-UHFFFAOYSA-N 2 0 288.370 2.575 20 0 CFADRP [NH3+]CCCCCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000843126222 631845186 /nfs/dbraw/zinc/84/51/86/631845186.db2.gz DJRLIRIITXQDTH-CQSZACIVSA-N 2 0 262.397 2.661 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843126524 631845280 /nfs/dbraw/zinc/84/52/80/631845280.db2.gz IDOFPBNNHWIEAU-HNNXBMFYSA-N 2 0 291.439 2.821 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCCC[NH3+])o1 ZINC000843126546 631845919 /nfs/dbraw/zinc/84/59/19/631845919.db2.gz IOVJTYVTDVGAMB-UHFFFAOYSA-N 2 0 276.384 2.587 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CCCCCC[NH3+] ZINC000843127108 631846363 /nfs/dbraw/zinc/84/63/63/631846363.db2.gz COTIAEQNWYPARO-UHFFFAOYSA-N 2 0 252.377 2.997 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000843127323 631846501 /nfs/dbraw/zinc/84/65/01/631846501.db2.gz PUYMFTGNGOBRIJ-GJZGRUSLSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCCC[NH3+] ZINC000843127052 631846760 /nfs/dbraw/zinc/84/67/60/631846760.db2.gz MJQJUCKHDGRPNC-ZDUSSCGKSA-N 2 0 295.402 2.652 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1C ZINC000843128144 631847518 /nfs/dbraw/zinc/84/75/18/631847518.db2.gz ICPWXLZFNGNAPM-STQMWFEESA-N 2 0 250.386 2.527 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000843129522 631848731 /nfs/dbraw/zinc/84/87/31/631848731.db2.gz VFLOVYXTDCKQRH-QLFBSQMISA-N 2 0 294.489 2.615 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCCCCC[NH3+])C2 ZINC000843130169 631848886 /nfs/dbraw/zinc/84/88/86/631848886.db2.gz ZDYOXGGSRVXXBV-OAHLLOKOSA-N 2 0 276.424 2.661 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000843129526 631849094 /nfs/dbraw/zinc/84/90/94/631849094.db2.gz VFLOVYXTDCKQRH-RBSFLKMASA-N 2 0 294.489 2.615 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCCCC[NH3+] ZINC000843341337 631931177 /nfs/dbraw/zinc/93/11/77/631931177.db2.gz IIGKRICFZPAEMY-HNNXBMFYSA-N 2 0 280.387 2.930 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1nc2ccccc2n1C ZINC000843340664 631931180 /nfs/dbraw/zinc/93/11/80/631931180.db2.gz DEHUGNNHZVSEQS-CYBMUJFWSA-N 2 0 274.412 2.743 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(Cl)cn1 ZINC000843341266 631931209 /nfs/dbraw/zinc/93/12/09/631931209.db2.gz HXFBBKIYRIFGRD-LLVKDONJSA-N 2 0 255.793 2.905 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843340009 631931668 /nfs/dbraw/zinc/93/16/68/631931668.db2.gz GRVGENPCELNZSS-USXIJHARSA-N 2 0 287.451 2.620 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000843342454 631932284 /nfs/dbraw/zinc/93/22/84/631932284.db2.gz LWQYGNSVMYKWNN-GVDBMIGSSA-N 2 0 288.435 2.952 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843343268 631933401 /nfs/dbraw/zinc/93/34/01/631933401.db2.gz YNVHXHQPLJFLBQ-UONOGXRCSA-N 2 0 256.434 2.689 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCCCCC[NH3+])C[C@H]1OC ZINC000843343269 631933815 /nfs/dbraw/zinc/93/38/15/631933815.db2.gz YNVHXHQPLJFLBQ-ZIAGYGMSSA-N 2 0 256.434 2.689 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354720 631935928 /nfs/dbraw/zinc/93/59/28/631935928.db2.gz DYFUXAHTUHFGKM-UHFFFAOYSA-N 2 0 276.424 2.884 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843358461 631936937 /nfs/dbraw/zinc/93/69/37/631936937.db2.gz QSYJRMNGYOUZBO-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000843363333 631938287 /nfs/dbraw/zinc/93/82/87/631938287.db2.gz XXVVLRDETDDKAT-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843387543 631942433 /nfs/dbraw/zinc/94/24/33/631942433.db2.gz GYLBTNQNRHCADE-AVGNSLFASA-N 2 0 291.266 2.892 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843392344 631943596 /nfs/dbraw/zinc/94/35/96/631943596.db2.gz NEXPDWOPCDPONR-CVEARBPZSA-N 2 0 268.445 2.787 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843387917 631943799 /nfs/dbraw/zinc/94/37/99/631943799.db2.gz YGDMWAPELKYBMQ-SJORKVTESA-N 3 0 281.488 2.607 20 0 CFADRP COc1c(C)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1C ZINC000813784431 631958711 /nfs/dbraw/zinc/95/87/11/631958711.db2.gz CGGXLLPGIMWLCE-LBPRGKRZSA-N 2 0 264.413 2.599 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844164754 632130854 /nfs/dbraw/zinc/13/08/54/632130854.db2.gz KMSOFZWJQVYTDC-CQSZACIVSA-N 2 0 289.423 2.911 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCC[NH3+])[C@@H](C)C1 ZINC000844220752 632135567 /nfs/dbraw/zinc/13/55/67/632135567.db2.gz AKIHHUFWMMUHIR-JKSUJKDBSA-N 3 0 269.477 2.558 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000844225098 632137420 /nfs/dbraw/zinc/13/74/20/632137420.db2.gz YIOZZDPPPONYMC-ZDUSSCGKSA-N 2 0 277.412 2.762 20 0 CFADRP Cn1ncc(C[NH2+]CCCCC[NH+]2CCCCC2)c1Cl ZINC000815126253 632207524 /nfs/dbraw/zinc/20/75/24/632207524.db2.gz JDONRYIBLNKDJF-UHFFFAOYSA-N 2 0 298.862 2.819 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCSC(C)(C)C)C2)C1 ZINC000815143624 632215623 /nfs/dbraw/zinc/21/56/23/632215623.db2.gz BJMVICLUBUVPCP-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP COc1c(C)cc(C[NH2+]CCC2(C[NH3+])CC2)cc1C ZINC000844902330 632330767 /nfs/dbraw/zinc/33/07/67/632330767.db2.gz PKOAWLVNKSMIGQ-UHFFFAOYSA-N 2 0 262.397 2.531 20 0 CFADRP C[C@@]1(CC[NH2+]C2CCC(C[NH3+])CC2)C[C@]1(F)Cl ZINC000844923618 632337627 /nfs/dbraw/zinc/33/76/27/632337627.db2.gz MKDBNFBUPFYIPY-FIYWTHMPSA-N 2 0 262.800 2.798 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844927015 632339783 /nfs/dbraw/zinc/33/97/83/632339783.db2.gz YODKMWHPAAONFI-DCAQKATOSA-N 2 0 265.228 2.677 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925485529 632354193 /nfs/dbraw/zinc/35/41/93/632354193.db2.gz CYTOGKPVOQXJJN-GOEBONIOSA-N 2 0 289.467 2.846 20 0 CFADRP C[C@@H](O)c1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000816644491 632501430 /nfs/dbraw/zinc/50/14/30/632501430.db2.gz OLMAUQDFHVZCLW-CYBMUJFWSA-N 2 0 297.468 2.552 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@]1(F)Cl ZINC000846037322 632619772 /nfs/dbraw/zinc/61/97/72/632619772.db2.gz LPBCJSMOTDZOIK-ZOBORPQBSA-N 2 0 274.811 2.908 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219061 632664736 /nfs/dbraw/zinc/66/47/36/632664736.db2.gz FARYMCVILLVGBG-KBPBESRZSA-N 2 0 256.434 2.641 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1nc2c(s1)CCCC2 ZINC000846220007 632666081 /nfs/dbraw/zinc/66/60/81/632666081.db2.gz IOVGYEUBGBXMEP-UHFFFAOYSA-N 2 0 281.469 2.973 20 0 CFADRP CC[C@@H]([NH2+]CCCCCC[NH3+])c1c(C)noc1C ZINC000846224517 632668060 /nfs/dbraw/zinc/66/80/60/632668060.db2.gz ZCZHXUIQYAWWKD-CYBMUJFWSA-N 2 0 253.390 2.851 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000846223049 632668440 /nfs/dbraw/zinc/66/84/40/632668440.db2.gz STSUMQTVEGDLQD-UHFFFAOYSA-N 2 0 268.351 2.842 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000817889141 632716904 /nfs/dbraw/zinc/71/69/04/632716904.db2.gz MRXDEPBQBQYLBL-KBRIMQKVSA-N 2 0 294.414 2.760 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000817888684 632717476 /nfs/dbraw/zinc/71/74/76/632717476.db2.gz INPMBMGBWYUJDM-JKSUJKDBSA-N 2 0 289.467 2.935 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817892002 632718699 /nfs/dbraw/zinc/71/86/99/632718699.db2.gz IPDVIRVSVONMPV-FGTMMUONSA-N 2 0 282.387 2.763 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817894277 632719401 /nfs/dbraw/zinc/71/94/01/632719401.db2.gz LCYMYBZUQXGNQX-HYVNUMGLSA-N 2 0 290.451 2.735 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897727 632721871 /nfs/dbraw/zinc/72/18/71/632721871.db2.gz WKFOPTMELWSBDI-IRXDYDNUSA-N 2 0 279.472 2.501 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000817897584 632722281 /nfs/dbraw/zinc/72/22/81/632722281.db2.gz SOERENCHNKJBRI-IUODEOHRSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000817897323 632722288 /nfs/dbraw/zinc/72/22/88/632722288.db2.gz KRMOEYCYYDSCTD-KTGAGVNESA-N 2 0 299.462 2.836 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817898551 632723492 /nfs/dbraw/zinc/72/34/92/632723492.db2.gz IRRGFTLETCDYEW-IRXDYDNUSA-N 2 0 285.391 2.958 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817899747 632724615 /nfs/dbraw/zinc/72/46/15/632724615.db2.gz PGMGRFCXUQBSRX-GOEBONIOSA-N 2 0 298.434 2.973 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900249 632724693 /nfs/dbraw/zinc/72/46/93/632724693.db2.gz LQQORKIYFXFJBS-RDHHWEPZSA-N 3 0 279.472 2.501 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000817901592 632725005 /nfs/dbraw/zinc/72/50/05/632725005.db2.gz CBYGHXYVLWKJOP-AWEZNQCLSA-N 2 0 263.429 2.750 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817910793 632729721 /nfs/dbraw/zinc/72/97/21/632729721.db2.gz YIMICIYYAFDOLT-BSDSXHPESA-N 2 0 288.435 2.539 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817910604 632730006 /nfs/dbraw/zinc/73/00/06/632730006.db2.gz WLJOQXOGSITACY-RCCFBDPRSA-N 2 0 282.387 2.763 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817912298 632730827 /nfs/dbraw/zinc/73/08/27/632730827.db2.gz GELOEXIBHYRVLS-SQNIBIBYSA-N 2 0 282.387 2.629 20 0 CFADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000817914226 632732224 /nfs/dbraw/zinc/73/22/24/632732224.db2.gz SUBSLMMXNCWIFW-SJORKVTESA-N 3 0 281.488 2.763 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)s1 ZINC000817916299 632732351 /nfs/dbraw/zinc/73/23/51/632732351.db2.gz WGFJPCCPOXOVJI-JTQLQIEISA-N 2 0 290.436 2.507 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000817914917 632732561 /nfs/dbraw/zinc/73/25/61/632732561.db2.gz CJWRCHHRZOSYCU-ARFHVFGLSA-N 2 0 293.480 2.894 20 0 CFADRP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000817922708 632735547 /nfs/dbraw/zinc/73/55/47/632735547.db2.gz KNRNHHKFPAOAFF-WWDZGPRUSA-N 2 0 288.435 2.549 20 0 CFADRP C[C@](O)(C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1Cl ZINC000817922239 632735872 /nfs/dbraw/zinc/73/58/72/632735872.db2.gz BYRWPURPFCFUHA-ZUEPYMLJSA-N 2 0 296.842 2.655 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817924421 632736801 /nfs/dbraw/zinc/73/68/01/632736801.db2.gz XMKMFVQENMKFIP-GHMZBOCLSA-N 2 0 255.793 2.903 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)nc1 ZINC000817923667 632737016 /nfs/dbraw/zinc/73/70/16/632737016.db2.gz LGSQEVGACQUILE-GCVQQVDUSA-N 2 0 253.777 2.656 20 0 CFADRP CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1c[nH+]ccc1N)CCC2 ZINC000817925264 632737938 /nfs/dbraw/zinc/73/79/38/632737938.db2.gz UOHBAOHCPBSSJX-LRDDRELGSA-N 2 0 299.422 3.000 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000817929341 632739683 /nfs/dbraw/zinc/73/96/83/632739683.db2.gz NODCMDJHBZGGDK-IXDOHACOSA-N 2 0 276.424 2.532 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](O)c1ccccc1 ZINC000817932861 632740601 /nfs/dbraw/zinc/74/06/01/632740601.db2.gz XWHCXUBOXYKLPB-FCRVUTKVSA-N 2 0 282.387 2.843 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817935334 632740673 /nfs/dbraw/zinc/74/06/73/632740673.db2.gz CBLQHRXFIVWARM-AEJSXWLSSA-N 2 0 253.217 2.676 20 0 CFADRP C[C@]1(C[NH2+]C2CCC(C[NH3+])CC2)CC1(Cl)Cl ZINC000817935294 632741139 /nfs/dbraw/zinc/74/11/39/632741139.db2.gz BLTCKYCARWUCAF-VQXHTEKXSA-N 2 0 265.228 2.677 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000817936123 632741919 /nfs/dbraw/zinc/74/19/19/632741919.db2.gz GPWDYWITXPUWFI-OUAUKWLOSA-N 2 0 265.228 2.548 20 0 CFADRP C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936398 632742008 /nfs/dbraw/zinc/74/20/08/632742008.db2.gz JZYHYQRZHMMKHF-AXFHLTTASA-N 2 0 265.228 2.691 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1C ZINC000817945668 632748257 /nfs/dbraw/zinc/74/82/57/632748257.db2.gz JBBGVMFQYJTYDM-HUUCEWRRSA-N 2 0 276.424 2.962 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000817947920 632749175 /nfs/dbraw/zinc/74/91/75/632749175.db2.gz FKQNOGXXBXAXRW-KRWDZBQOSA-N 2 0 258.409 2.856 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1(C)C ZINC000817948264 632749260 /nfs/dbraw/zinc/74/92/60/632749260.db2.gz HZDIYNIDGIENRU-IAGOWNOFSA-N 2 0 290.451 2.870 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)C1CCSCC1 ZINC000817949233 632750128 /nfs/dbraw/zinc/75/01/28/632750128.db2.gz QBISLJMRTVGVHP-CYBMUJFWSA-N 2 0 278.465 2.809 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000817948955 632750893 /nfs/dbraw/zinc/75/08/93/632750893.db2.gz MVOGVIZHWLXLQV-DLBZAZTESA-N 2 0 258.409 2.856 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)ccc1OC ZINC000817951808 632752689 /nfs/dbraw/zinc/75/26/89/632752689.db2.gz AUQMTGHHSXIERD-CQSZACIVSA-N 2 0 294.439 2.880 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961283 632760179 /nfs/dbraw/zinc/76/01/79/632760179.db2.gz WJKCVDCDJLQFEL-APHBMKBZSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817965422 632764480 /nfs/dbraw/zinc/76/44/80/632764480.db2.gz USGKNJPEJJEMHS-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817970346 632768558 /nfs/dbraw/zinc/76/85/58/632768558.db2.gz RSRMILZACPVYDT-CWRNSKLLSA-N 2 0 284.407 2.793 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000817970775 632769500 /nfs/dbraw/zinc/76/95/00/632769500.db2.gz DYPBLPDKWDBFDQ-HEHGZKQESA-N 2 0 262.397 2.734 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000817971691 632771187 /nfs/dbraw/zinc/77/11/87/632771187.db2.gz PECYEGHJNFNBHN-KCXAZCMYSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000817978086 632775388 /nfs/dbraw/zinc/77/53/88/632775388.db2.gz VPWUIQZYBQGRLP-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000818953638 632914567 /nfs/dbraw/zinc/91/45/67/632914567.db2.gz OGDGUYBBNCMJON-LJQANCHMSA-N 2 0 298.430 2.880 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000818959122 632915418 /nfs/dbraw/zinc/91/54/18/632915418.db2.gz DHSCTJPPSQXZQW-GOSISDBHSA-N 2 0 290.451 2.822 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000818979766 632920757 /nfs/dbraw/zinc/92/07/57/632920757.db2.gz ALAYBNBDAKEZST-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000818979772 632920821 /nfs/dbraw/zinc/92/08/21/632920821.db2.gz ALAYBNBDAKEZST-CZUORRHYSA-N 2 0 296.842 2.695 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]CC1(O)CCCCC1 ZINC000819013134 632930076 /nfs/dbraw/zinc/93/00/76/632930076.db2.gz PVGWKUHQPZXBIY-UHFFFAOYSA-N 2 0 270.461 2.783 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819182191 633002423 /nfs/dbraw/zinc/00/24/23/633002423.db2.gz KEOBEXCFVBHFBO-SJLPKXTDSA-N 2 0 290.451 2.678 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000819260607 633043141 /nfs/dbraw/zinc/04/31/41/633043141.db2.gz URYONSFTCMYXHC-KRWDZBQOSA-N 2 0 290.451 2.740 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc(Cl)n1C ZINC000848526170 633276940 /nfs/dbraw/zinc/27/69/40/633276940.db2.gz TZRHPLVBBXGKKA-LBPRGKRZSA-N 2 0 286.851 2.674 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000848718296 633323503 /nfs/dbraw/zinc/32/35/03/633323503.db2.gz HZAILXSFQKHWIZ-LSDHHAIUSA-N 2 0 261.413 2.502 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000848719113 633323803 /nfs/dbraw/zinc/32/38/03/633323803.db2.gz YJYJGIQAEHLURD-KZYLPZIUSA-N 3 0 279.472 2.643 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848720662 633324263 /nfs/dbraw/zinc/32/42/63/633324263.db2.gz QODPOYOGBVZEDX-VVLHAWIVSA-N 2 0 276.424 2.748 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000857253867 635957117 /nfs/dbraw/zinc/95/71/17/635957117.db2.gz UHEWAPQLQQRZMX-HSOILSAZSA-N 2 0 265.228 2.677 20 0 CFADRP CC(C)C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+](C)C ZINC000848983822 633416414 /nfs/dbraw/zinc/41/64/14/633416414.db2.gz DUSCGQNOHYRYMF-LBPRGKRZSA-N 2 0 298.381 2.877 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000848996129 633450955 /nfs/dbraw/zinc/45/09/55/633450955.db2.gz FXLIHPKCSFGFRP-OAHLLOKOSA-N 2 0 288.439 2.970 20 0 CFADRP CCc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000848996486 633451835 /nfs/dbraw/zinc/45/18/35/633451835.db2.gz YMRGIUFEZLQDQA-HNNXBMFYSA-N 2 0 288.439 2.916 20 0 CFADRP CC(C)(C)NC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997061 633452260 /nfs/dbraw/zinc/45/22/60/633452260.db2.gz MQNMVUZLJDBSLZ-UHFFFAOYSA-N 2 0 282.476 2.945 20 0 CFADRP CCCC[N@H+](C)CCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000849005603 633456899 /nfs/dbraw/zinc/45/68/99/633456899.db2.gz MISCJCROZOKBPV-UHFFFAOYSA-N 2 0 276.428 2.917 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849016845 633462340 /nfs/dbraw/zinc/46/23/40/633462340.db2.gz MRJRBJWEIBYJDM-GJZGRUSLSA-N 2 0 282.476 2.655 20 0 CFADRP CC(C)(CNC(=[NH2+])NC1CCCCCC1)C[NH+]1CCCC1 ZINC000849022035 633465290 /nfs/dbraw/zinc/46/52/90/633465290.db2.gz UQAQPDGNSAKDPK-UHFFFAOYSA-N 2 0 294.487 2.945 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849025981 633466700 /nfs/dbraw/zinc/46/67/00/633466700.db2.gz HTFBQVXENUEKBA-DZGCQCFKSA-N 2 0 280.460 2.696 20 0 CFADRP CC(C)C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[NH+]1CCCC1 ZINC000849053366 633481694 /nfs/dbraw/zinc/48/16/94/633481694.db2.gz BFXJACCWHAHTKM-JKSUJKDBSA-N 2 0 294.487 2.753 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCC(C)C ZINC000849063897 633483139 /nfs/dbraw/zinc/48/31/39/633483139.db2.gz SDDKTSILYGMLMN-OAHLLOKOSA-N 2 0 282.476 2.801 20 0 CFADRP CCCCCCNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000849093422 633484724 /nfs/dbraw/zinc/48/47/24/633484724.db2.gz POHNQIYOPDDHPR-UHFFFAOYSA-N 2 0 282.476 2.803 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849096708 633485534 /nfs/dbraw/zinc/48/55/34/633485534.db2.gz LJNBILBXFPSSFL-CABCVRRESA-N 2 0 282.476 2.657 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000850179474 633875672 /nfs/dbraw/zinc/87/56/72/633875672.db2.gz ZYUFWNXNPKMOLV-ODZFXCKXSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1nc(F)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850421095 633985419 /nfs/dbraw/zinc/98/54/19/633985419.db2.gz VNJHVAPQNNJVHK-UHFFFAOYSA-N 2 0 291.414 2.741 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850438679 633993372 /nfs/dbraw/zinc/99/33/72/633993372.db2.gz CMNXRDISZSMABT-KKUMJFAQSA-N 2 0 298.471 2.817 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]1C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000850482556 634012570 /nfs/dbraw/zinc/01/25/70/634012570.db2.gz JZOVVZCGFXFHIS-ZWKOTPCHSA-N 2 0 292.467 2.656 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1SCCS1 ZINC000853023047 634879952 /nfs/dbraw/zinc/87/99/52/634879952.db2.gz LGPDZSOIIXMDGG-STQMWFEESA-N 2 0 286.510 2.504 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ncc(Cl)c1C1CC1 ZINC000853495185 635018085 /nfs/dbraw/zinc/01/80/85/635018085.db2.gz SDRKTLYQJPGJEB-UHFFFAOYSA-N 2 0 296.846 2.645 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(F)ccc1F ZINC000111406573 635038126 /nfs/dbraw/zinc/03/81/26/635038126.db2.gz XLIZVAPDTSRGIQ-AGUYFDCRSA-N 2 0 266.335 2.809 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221100 635261434 /nfs/dbraw/zinc/26/14/34/635261434.db2.gz GRVQMTRJWBGODY-IPELMVKDSA-N 2 0 298.430 2.980 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221043 635261811 /nfs/dbraw/zinc/26/18/11/635261811.db2.gz FFHBMPLRNHJXSA-MDASCCDHSA-N 2 0 298.430 2.851 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925491238 635929530 /nfs/dbraw/zinc/92/95/30/635929530.db2.gz QIOSDIJTOGLCGN-IKGGRYGDSA-N 2 0 287.451 2.619 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000857847005 636030501 /nfs/dbraw/zinc/03/05/01/636030501.db2.gz SHBKPUWVRGMMSY-INIZCTEOSA-N 2 0 284.407 2.639 20 0 CFADRP CC(C)c1ncc2c(n1)CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000857874310 636044181 /nfs/dbraw/zinc/04/41/81/636044181.db2.gz KOLBUUSSJLMQBU-UHFFFAOYSA-N 2 0 290.455 2.867 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC000858100413 636125317 /nfs/dbraw/zinc/12/53/17/636125317.db2.gz GTMAAEMAUNHDSL-HNNXBMFYSA-N 2 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000858246076 636163009 /nfs/dbraw/zinc/16/30/09/636163009.db2.gz TYGXARKTJKCHSB-INIZCTEOSA-N 2 0 290.451 2.736 20 0 CFADRP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(CO)c1)CC(C)C ZINC000858337136 636197044 /nfs/dbraw/zinc/19/70/44/636197044.db2.gz AKVHMHIRRFXMKG-MRXNPFEDSA-N 2 0 279.428 2.742 20 0 CFADRP COC(=O)CC1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000858368482 636210174 /nfs/dbraw/zinc/21/01/74/636210174.db2.gz BKFGFTNHUQURQY-CKUJCDMFSA-N 2 0 296.455 2.571 20 0 CFADRP OCc1cc(NC2CC[NH+](CC3CCCC3)CC2)cc[nH+]1 ZINC000858369658 636211366 /nfs/dbraw/zinc/21/13/66/636211366.db2.gz JACGSQXBOREMOW-UHFFFAOYSA-N 2 0 289.423 2.640 20 0 CFADRP C[C@H](CCNc1cc[nH+]c(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000858432485 636238265 /nfs/dbraw/zinc/23/82/65/636238265.db2.gz JNJZSEMUSYIAMY-OAHLLOKOSA-N 2 0 299.418 2.896 20 0 CFADRP C[C@H](Nc1cc[nH+]c(CO)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000858520501 636281553 /nfs/dbraw/zinc/28/15/53/636281553.db2.gz BHSCEFALKBGVOX-GUYCJALGSA-N 2 0 285.391 2.677 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCCCCO)cc1 ZINC000859215226 636508368 /nfs/dbraw/zinc/50/83/68/636508368.db2.gz ZCISAZHLLUAAAS-UHFFFAOYSA-N 2 0 278.440 2.733 20 0 CFADRP CC(C)OC(=O)CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214202 636508748 /nfs/dbraw/zinc/50/87/48/636508748.db2.gz FYHQOYUGBUAAIT-UHFFFAOYSA-N 2 0 292.423 2.522 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859221714 636511031 /nfs/dbraw/zinc/51/10/31/636511031.db2.gz NTTUKEOMRMMRJY-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP Cc1cccc(OCC[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000048437009 650266291 /nfs/dbraw/zinc/26/62/91/650266291.db2.gz XCUPKASBBFJWBI-UHFFFAOYSA-N 2 0 276.424 2.836 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859563777 636601597 /nfs/dbraw/zinc/60/15/97/636601597.db2.gz VPASQFKHTFKFDM-MRXNPFEDSA-N 2 0 261.413 2.854 20 0 CFADRP c1ccc(C[N@@H+]2CCC[C@H](N[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000863483706 637675438 /nfs/dbraw/zinc/67/54/38/637675438.db2.gz YJSVWHZELXCDKF-ROUUACIJSA-N 2 0 299.462 2.525 20 0 CFADRP C[C@@H]([NH3+])CN(C)CCOc1cc(Cl)ccc1Cl ZINC000863567295 637697585 /nfs/dbraw/zinc/69/75/85/637697585.db2.gz VXBNPAOJNLUQCZ-SECBINFHSA-N 2 0 277.195 2.651 20 0 CFADRP [NH3+]CCCCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000863641774 637722668 /nfs/dbraw/zinc/72/26/68/637722668.db2.gz BRJVVHJXGOHWNB-UHFFFAOYSA-N 2 0 260.381 2.571 20 0 CFADRP Fc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000189098480 650360530 /nfs/dbraw/zinc/36/05/30/650360530.db2.gz AVRUOTAMMRMIIY-UHFFFAOYSA-N 2 0 279.403 2.967 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NCCC1CC1 ZINC000864452080 637984824 /nfs/dbraw/zinc/98/48/24/637984824.db2.gz LMYXSWSUOLXMKW-CQSZACIVSA-N 2 0 280.460 2.555 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)c21 ZINC000925493550 638195546 /nfs/dbraw/zinc/19/55/46/638195546.db2.gz QCYYGKSJPCZYBG-HZPDHXFCSA-N 2 0 283.419 2.878 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000120520652 638307069 /nfs/dbraw/zinc/30/70/69/638307069.db2.gz WJUKZYUIXFUBJA-MLGOLLRUSA-N 2 0 296.842 2.693 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC000865717252 638532352 /nfs/dbraw/zinc/53/23/52/638532352.db2.gz UDZRKDMNCMCAEG-UHFFFAOYSA-N 2 0 267.442 2.743 20 0 CFADRP COc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cn1 ZINC000865717131 638532686 /nfs/dbraw/zinc/53/26/86/638532686.db2.gz PXLPBOUUPBYJOO-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1nc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)[nH]c1C ZINC000865717220 638532937 /nfs/dbraw/zinc/53/29/37/638532937.db2.gz SKMSTBORIYFCFS-UHFFFAOYSA-N 2 0 278.444 2.627 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(F)CC2)(c2ccccc2)CC1 ZINC000865775305 638566266 /nfs/dbraw/zinc/56/62/66/638566266.db2.gz UHXRAUNGDFINIR-UHFFFAOYSA-N 2 0 276.399 2.742 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866211114 638771470 /nfs/dbraw/zinc/77/14/70/638771470.db2.gz GTAXAGYCFDZOKT-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000866213395 638771744 /nfs/dbraw/zinc/77/17/44/638771744.db2.gz QIRZJNQOPDGGCT-AWEZNQCLSA-N 2 0 263.429 2.580 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000866262909 638783646 /nfs/dbraw/zinc/78/36/46/638783646.db2.gz IKTSYKKFLDKHRL-RDJZCZTQSA-N 2 0 260.425 2.857 20 0 CFADRP CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866362036 638804059 /nfs/dbraw/zinc/80/40/59/638804059.db2.gz YGQUPJNCLFKLAJ-LSDHHAIUSA-N 2 0 263.429 2.721 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)ccc12 ZINC000866371985 638807746 /nfs/dbraw/zinc/80/77/46/638807746.db2.gz NIZAJSLEOAOIIP-IRXDYDNUSA-N 2 0 285.391 2.772 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)[C@H]2CCC[C@@H]21 ZINC000866451187 638824480 /nfs/dbraw/zinc/82/44/80/638824480.db2.gz GBNIHDIMJKJVJZ-FQKPHLNHSA-N 2 0 254.393 2.730 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)c1nccn1C ZINC000866467927 638826217 /nfs/dbraw/zinc/82/62/17/638826217.db2.gz USUAXYUHOIFDHQ-INIZCTEOSA-N 2 0 292.471 2.971 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000866470501 638826563 /nfs/dbraw/zinc/82/65/63/638826563.db2.gz XSLYIRDPDXZZPX-CQSZACIVSA-N 2 0 278.444 2.581 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866509880 638832571 /nfs/dbraw/zinc/83/25/71/638832571.db2.gz FRPSYNOKAQLYJP-WMZOPIPTSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000866518428 638834744 /nfs/dbraw/zinc/83/47/44/638834744.db2.gz ZNWBPKNXRPTYHT-NPCAHTBFSA-N 2 0 276.428 2.571 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2c3ccccc3CN2C)CC1 ZINC000866561717 638845143 /nfs/dbraw/zinc/84/51/43/638845143.db2.gz KBPWXMKUMJBMAW-GOSISDBHSA-N 2 0 287.451 2.636 20 0 CFADRP Cc1ccc(CN(C)CC[C@H]([NH3+])C(C)C)nc1Cl ZINC000866661093 638862239 /nfs/dbraw/zinc/86/22/39/638862239.db2.gz LNANPZUWAIZNSQ-ZDUSSCGKSA-N 2 0 269.820 2.849 20 0 CFADRP Cc1ccc(CN2CCCC[C@@H]2CC[NH3+])nc1Cl ZINC000866664764 638862795 /nfs/dbraw/zinc/86/27/95/638862795.db2.gz MFVMHCJTFDDNFI-CYBMUJFWSA-N 2 0 267.804 2.747 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000866704029 638868388 /nfs/dbraw/zinc/86/83/88/638868388.db2.gz OFDBSCHTIGOKAU-CVEARBPZSA-N 2 0 288.460 2.517 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000866706156 638868785 /nfs/dbraw/zinc/86/87/85/638868785.db2.gz ADJWIDZYIVIVKK-RHSMWYFYSA-N 2 0 282.472 2.889 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000866706158 638868954 /nfs/dbraw/zinc/86/89/54/638868954.db2.gz ADJWIDZYIVIVKK-YOEHRIQHSA-N 2 0 282.472 2.889 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CCCC1 ZINC000866709515 638869665 /nfs/dbraw/zinc/86/96/65/638869665.db2.gz RRGWJGCZMMFTTH-DOTOQJQBSA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCc2ccccc2CC1 ZINC000079574293 650605115 /nfs/dbraw/zinc/60/51/15/650605115.db2.gz RYQSVPBRYYOYHR-UHFFFAOYSA-N 2 0 260.425 2.996 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871359482 641304748 /nfs/dbraw/zinc/30/47/48/641304748.db2.gz IGMZZXFJIQMAKM-CBCUQQMYSA-N 2 0 297.487 2.532 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000872021893 641552856 /nfs/dbraw/zinc/55/28/56/641552856.db2.gz FTGCLPWCJUCRQV-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cc(O)ccc1F ZINC000872024681 641554828 /nfs/dbraw/zinc/55/48/28/641554828.db2.gz COPHFABUXIFZKI-QWHCGFSZSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(O)ccc1F ZINC000872028652 641559673 /nfs/dbraw/zinc/55/96/73/641559673.db2.gz LRMNGDQSPDZBJH-LLVKDONJSA-N 2 0 254.349 2.524 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000872067501 641598691 /nfs/dbraw/zinc/59/86/91/641598691.db2.gz QXPFSXOGSVXWBQ-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CCCOC1 ZINC000872069697 641601238 /nfs/dbraw/zinc/60/12/38/641601238.db2.gz SQUBHTDPOAIMFV-OTBWCIGPSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)CC ZINC000872069111 641601337 /nfs/dbraw/zinc/60/13/37/641601337.db2.gz MUJIEWKGZHUDRE-HNNXBMFYSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@@H]1CCCOC1 ZINC000872079501 641612277 /nfs/dbraw/zinc/61/22/77/641612277.db2.gz NTVXAYXNAHQHBU-ZBFHGGJFSA-N 2 0 273.380 2.629 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000872079185 641612692 /nfs/dbraw/zinc/61/26/92/641612692.db2.gz WDTGFDHXZQEXSA-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000872115285 641645436 /nfs/dbraw/zinc/64/54/36/641645436.db2.gz ASZPRZVOBKLQKB-HUUCEWRRSA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000872128056 641655615 /nfs/dbraw/zinc/65/56/15/641655615.db2.gz AVJGRGQKZJNICK-CTYIDZIISA-N 2 0 296.455 2.571 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3c(o1)CCCC3)CC[NH2+]CC2 ZINC000872144062 641671721 /nfs/dbraw/zinc/67/17/21/641671721.db2.gz AYQQJTUKQCATFF-ZDUSSCGKSA-N 2 0 289.423 2.517 20 0 CFADRP c1ccc2c(c1)CC[C@]21CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000872146290 641674401 /nfs/dbraw/zinc/67/44/01/641674401.db2.gz KBZFPRHYSFRTMA-MAUKXSAKSA-N 2 0 270.420 2.576 20 0 CFADRP Cc1csc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000872147004 641674723 /nfs/dbraw/zinc/67/47/23/641674723.db2.gz BWZHWDQPERYZGT-UONOGXRCSA-N 2 0 279.453 2.631 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cc2ccccc2[nH]c1=O ZINC000872155374 641675620 /nfs/dbraw/zinc/67/56/20/641675620.db2.gz LMLKKFQJTMVPTI-UHFFFAOYSA-N 2 0 287.407 2.891 20 0 CFADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCCCC[NH3+] ZINC000872155790 641676677 /nfs/dbraw/zinc/67/66/77/641676677.db2.gz ZKRUUGKMPSEFMA-OWCLPIDISA-N 2 0 297.487 2.521 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCCF)C1)C1CCCC1 ZINC000872156462 641677792 /nfs/dbraw/zinc/67/77/92/641677792.db2.gz JYWIGYFDCVBAKN-ZFWWWQNUSA-N 2 0 256.409 2.966 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]cc2C2CC2)C1 ZINC000872429045 641807521 /nfs/dbraw/zinc/80/75/21/641807521.db2.gz WGDDDTVPJSNZNF-CYBMUJFWSA-N 2 0 259.397 2.523 20 0 CFADRP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872432790 641808835 /nfs/dbraw/zinc/80/88/35/641808835.db2.gz GTGRZXVADHCYFN-CQSZACIVSA-N 2 0 259.397 2.926 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000872780598 641934709 /nfs/dbraw/zinc/93/47/09/641934709.db2.gz MKUVJDRCEBXJQB-ROUUACIJSA-N 2 0 297.402 2.916 20 0 CFADRP Cc1noc(C)c1CN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202726 642064591 /nfs/dbraw/zinc/06/45/91/642064591.db2.gz ACTSBYSMRBTNRE-UHFFFAOYSA-N 2 0 291.420 2.631 20 0 CFADRP CCC(CC)(CCO)C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211994 642070196 /nfs/dbraw/zinc/07/01/96/642070196.db2.gz VXARDQHATMCUNZ-UHFFFAOYSA-N 2 0 296.480 2.672 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873217909 642071472 /nfs/dbraw/zinc/07/14/72/642071472.db2.gz UKMQMXNXEHNINV-QMIVOQANSA-N 2 0 254.393 2.777 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000873216417 642072069 /nfs/dbraw/zinc/07/20/69/642072069.db2.gz RPYBUSPSAMEJDP-CWQOZTLDSA-N 2 0 285.435 2.834 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)C2 ZINC000873219807 642073018 /nfs/dbraw/zinc/07/30/18/642073018.db2.gz GADCNXGWMXFCJR-CJNGLKHVSA-N 2 0 288.435 2.530 20 0 CFADRP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000873220038 642073151 /nfs/dbraw/zinc/07/31/51/642073151.db2.gz HZUUVAPNGCNZGF-CQSZACIVSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222127 642075101 /nfs/dbraw/zinc/07/51/01/642075101.db2.gz ANSAAOBHRMMHIT-NSHDSACASA-N 2 0 282.815 2.826 20 0 CFADRP C[C@@H]([NH2+]Cc1coc2ccccc12)C1CC[NH2+]CC1 ZINC000873221546 642075117 /nfs/dbraw/zinc/07/51/17/642075117.db2.gz WNRREDXPSRQVHY-GFCCVEGCSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c2cccnc12)C1CC[NH2+]CC1 ZINC000873222284 642075462 /nfs/dbraw/zinc/07/54/62/642075462.db2.gz KJYYWZTUKSAEID-LBPRGKRZSA-N 2 0 287.382 2.852 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccsc2)C1 ZINC000873223685 642076675 /nfs/dbraw/zinc/07/66/75/642076675.db2.gz RCBXHABDANVFCP-AWEZNQCLSA-N 2 0 252.427 2.945 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000873223742 642076855 /nfs/dbraw/zinc/07/68/55/642076855.db2.gz RRCPMPJYUFFCLI-MCIONIFRSA-N 2 0 262.397 2.734 20 0 CFADRP COc1ccsc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223890 642077557 /nfs/dbraw/zinc/07/75/57/642077557.db2.gz UESAKYCIFKZRIY-HNNXBMFYSA-N 2 0 282.453 2.954 20 0 CFADRP COCCC1([NH2+]CCC2CCCCC2)CC[NH2+]CC1 ZINC000873224640 642077629 /nfs/dbraw/zinc/07/76/29/642077629.db2.gz DJVIQHGMZCWSSC-UHFFFAOYSA-N 2 0 268.445 2.705 20 0 CFADRP CC[C@@H](C[NH2+]C1(CCOC)CC[NH2+]CC1)c1ccccc1 ZINC000873224300 642077670 /nfs/dbraw/zinc/07/76/70/642077670.db2.gz AGZVUPRODGENPS-INIZCTEOSA-N 2 0 290.451 2.929 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873227888 642079533 /nfs/dbraw/zinc/07/95/33/642079533.db2.gz OKPAWLKGRTUZSM-MRXNPFEDSA-N 2 0 281.488 2.700 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH2+]1 ZINC000873225573 642079597 /nfs/dbraw/zinc/07/95/97/642079597.db2.gz TUQKTNZFQMJIDR-ZFWWWQNUSA-N 2 0 271.408 2.988 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC[NH2+]1 ZINC000873227506 642079890 /nfs/dbraw/zinc/07/98/90/642079890.db2.gz KTMYOXJZCQDBAJ-DLBZAZTESA-N 3 0 293.499 2.715 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000873227695 642080318 /nfs/dbraw/zinc/08/03/18/642080318.db2.gz MROIKJUFBBEQLN-VBQJREDUSA-N 2 0 292.398 2.667 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000873227038 642080361 /nfs/dbraw/zinc/08/03/61/642080361.db2.gz GBNWINSOQOQZOS-YOEHRIQHSA-N 2 0 290.455 2.712 20 0 CFADRP c1ncc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232271 642085118 /nfs/dbraw/zinc/08/51/18/642085118.db2.gz DHAPYXRZDXGVSQ-CYBMUJFWSA-N 2 0 265.426 2.545 20 0 CFADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232268 642085165 /nfs/dbraw/zinc/08/51/65/642085165.db2.gz NWTCDUOJBHAQMJ-WMLDXEAASA-N 2 0 290.455 2.838 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1nc2c(s1)CCC2 ZINC000873231582 642085445 /nfs/dbraw/zinc/08/54/45/642085445.db2.gz PJSCRLXWDWRQKO-UHFFFAOYSA-N 2 0 267.442 2.583 20 0 CFADRP COc1cc(C[N@H+](C)CCCCCC[NH3+])ccc1C ZINC000873231711 642085762 /nfs/dbraw/zinc/08/57/62/642085762.db2.gz UZLYNPNFFWGLGO-UHFFFAOYSA-N 2 0 264.413 2.955 20 0 CFADRP Cc1nc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cs1 ZINC000873233038 642087099 /nfs/dbraw/zinc/08/70/99/642087099.db2.gz WZXBKARMIIBONH-CQSZACIVSA-N 2 0 279.453 2.854 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000873243752 642092096 /nfs/dbraw/zinc/09/20/96/642092096.db2.gz MSBUZXXOIVJUEE-SMDDNHRTSA-N 2 0 279.453 2.785 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000873242164 642092180 /nfs/dbraw/zinc/09/21/80/642092180.db2.gz MIYJDTCXRGQVAY-SJORKVTESA-N 3 0 281.488 2.747 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)c[nH]c2cc1F ZINC000873247444 642094544 /nfs/dbraw/zinc/09/45/44/642094544.db2.gz MSTHMLYDXSONOP-WBMJQRKESA-N 2 0 289.398 2.888 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248650 642095427 /nfs/dbraw/zinc/09/54/27/642095427.db2.gz CWFFALNBFPODNF-LVQVYYBASA-N 2 0 273.424 2.743 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000873249715 642097181 /nfs/dbraw/zinc/09/71/81/642097181.db2.gz CDSIJJAOXKJVJR-HYVNUMGLSA-N 2 0 258.409 2.643 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873251145 642097831 /nfs/dbraw/zinc/09/78/31/642097831.db2.gz JJYQXIYFIPQDDA-YVECIDJPSA-N 2 0 276.346 2.848 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2F)C1 ZINC000873252301 642097920 /nfs/dbraw/zinc/09/79/20/642097920.db2.gz NHABKGRVJXFKPW-MNOVXSKESA-N 2 0 288.313 2.787 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873253110 642099022 /nfs/dbraw/zinc/09/90/22/642099022.db2.gz UAPAPIZUHAXVLY-IRCOFANPSA-N 2 0 262.319 2.601 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000873252884 642099395 /nfs/dbraw/zinc/09/93/95/642099395.db2.gz WYOLTFIJQFWLEN-ISTRZQFTSA-N 2 0 285.366 2.637 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000873258263 642103479 /nfs/dbraw/zinc/10/34/79/642103479.db2.gz ZEVCWZYEMUBATI-CKYFFXLPSA-N 2 0 292.814 2.615 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000873258172 642103666 /nfs/dbraw/zinc/10/36/66/642103666.db2.gz NLBXSLSAFXXVCN-NHCYSSNCSA-N 2 0 288.313 2.973 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257980 642103697 /nfs/dbraw/zinc/10/36/97/642103697.db2.gz WJDIBHGDGNUXDE-FVQBIDKESA-N 2 0 264.388 2.720 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCO2 ZINC000873259773 642104329 /nfs/dbraw/zinc/10/43/29/642104329.db2.gz KYUVELLJXWFPGH-UTJXIGIESA-N 2 0 286.419 2.803 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873260030 642104484 /nfs/dbraw/zinc/10/44/84/642104484.db2.gz QXZCTIANKKBQCV-OGIUKLMXSA-N 2 0 286.419 2.803 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000873259730 642104595 /nfs/dbraw/zinc/10/45/95/642104595.db2.gz KKLWUONBJZMKKF-MHDGFBEUSA-N 2 0 250.411 2.929 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260491 642105278 /nfs/dbraw/zinc/10/52/78/642105278.db2.gz BQVQYVAJXVVKQS-TWHJKIGZSA-N 2 0 250.430 2.931 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261792 642106377 /nfs/dbraw/zinc/10/63/77/642106377.db2.gz RYSIGPBQESFNKN-XFMPKHEZSA-N 2 0 260.381 2.777 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1F ZINC000873267232 642110026 /nfs/dbraw/zinc/11/00/26/642110026.db2.gz AADUJJOOAMAKNT-NEPJUHHUSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)C1CC[NH2+]CC1 ZINC000873267268 642110378 /nfs/dbraw/zinc/11/03/78/642110378.db2.gz AVMBNINZMJVPMO-HWPZZCPQSA-N 2 0 280.362 2.930 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000873268112 642110876 /nfs/dbraw/zinc/11/08/76/642110876.db2.gz RFMMSYDMMVKYMJ-BZNIZROVSA-N 2 0 262.372 2.791 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873269303 642111850 /nfs/dbraw/zinc/11/18/50/642111850.db2.gz OPUVKLWCZMZYIX-BMFZPTHFSA-N 2 0 280.456 2.702 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873269305 642112039 /nfs/dbraw/zinc/11/20/39/642112039.db2.gz OPUVKLWCZMZYIX-KBMXLJTQSA-N 2 0 280.456 2.702 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873270910 642112440 /nfs/dbraw/zinc/11/24/40/642112440.db2.gz CCZIMNDNRHGDFH-WDEREUQCSA-N 2 0 296.436 2.573 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000873270345 642112624 /nfs/dbraw/zinc/11/26/24/642112624.db2.gz RFMMSYDMMVKYMJ-MEDUHNTESA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873271044 642112780 /nfs/dbraw/zinc/11/27/80/642112780.db2.gz DDXYZUOGUCRNDX-DCGLDWPTSA-N 2 0 258.409 2.898 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270652 642112928 /nfs/dbraw/zinc/11/29/28/642112928.db2.gz ZGHQLNXMYBKHMU-SUMWQHHRSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000873271091 642112964 /nfs/dbraw/zinc/11/29/64/642112964.db2.gz DPICRFTUQNBYIX-QWHCGFSZSA-N 2 0 292.471 2.985 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cn1 ZINC000873271913 642113288 /nfs/dbraw/zinc/11/32/88/642113288.db2.gz MDSJCDUSVVWXMR-STQMWFEESA-N 2 0 264.417 2.503 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCCF)C1CC[NH2+]CC1 ZINC000873272239 642113632 /nfs/dbraw/zinc/11/36/32/642113632.db2.gz QULWZYYRKOZRNC-CFVMTHIKSA-N 2 0 256.409 2.883 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc2cnccc2o1 ZINC000873276661 642115102 /nfs/dbraw/zinc/11/51/02/642115102.db2.gz VTLHRGQRYDSAJM-KYEXWDHISA-N 2 0 285.391 2.867 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc2cnccc2o1 ZINC000873274920 642115498 /nfs/dbraw/zinc/11/54/98/642115498.db2.gz HSTPENVHTASNJV-DRZSPHRISA-N 2 0 259.353 2.748 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873284998 642119200 /nfs/dbraw/zinc/11/92/00/642119200.db2.gz WRYNYXSQZKCWPP-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289542 642122218 /nfs/dbraw/zinc/12/22/18/642122218.db2.gz JGMUNPCBLRNQQM-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292946 642124463 /nfs/dbraw/zinc/12/44/63/642124463.db2.gz GTPOVDCXFRCWII-ZIAGYGMSSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)oc1C ZINC000873294586 642125561 /nfs/dbraw/zinc/12/55/61/642125561.db2.gz XAAHFLXUEISXRP-ZFWWWQNUSA-N 2 0 292.423 2.706 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295210 642126675 /nfs/dbraw/zinc/12/66/75/642126675.db2.gz BVMDQYQIDLCNGI-YJNKEBTESA-N 2 0 273.424 2.737 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295208 642127017 /nfs/dbraw/zinc/12/70/17/642127017.db2.gz BVMDQYQIDLCNGI-LYAPFXNSSA-N 2 0 273.424 2.737 20 0 CFADRP CCC[NH+]1CCC(NCC[NH+](C(C)C)C(C)C)CC1 ZINC000019900953 642189699 /nfs/dbraw/zinc/18/96/99/642189699.db2.gz LRRYCSHFJUZVFG-UHFFFAOYSA-N 2 0 269.477 2.569 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(Cl)nn2)C1 ZINC000876933285 643069723 /nfs/dbraw/zinc/06/97/23/643069723.db2.gz LCHIYMMTPPDYCH-ZDUSSCGKSA-N 2 0 296.846 2.732 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876963907 643084291 /nfs/dbraw/zinc/08/42/91/643084291.db2.gz KLNZHMRJXYLGPF-MNOVXSKESA-N 2 0 265.228 2.502 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877019863 643106316 /nfs/dbraw/zinc/10/63/16/643106316.db2.gz GUIIBVYAKMTHPN-NSHDSACASA-N 2 0 265.228 2.502 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877021132 643107519 /nfs/dbraw/zinc/10/75/19/643107519.db2.gz PZHZZTSMYKEDLZ-UHFFFAOYSA-N 2 0 293.798 2.913 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000877022674 643108003 /nfs/dbraw/zinc/10/80/03/643108003.db2.gz PQLVKPHCINMERD-KZNAEPCWSA-N 2 0 293.499 2.737 20 0 CFADRP CN(C)[C@@]1(C[NH2+]CC2(C)CCCC2)CCSC1 ZINC000877074668 643137395 /nfs/dbraw/zinc/13/73/95/643137395.db2.gz OWRQVCGJBQFMOR-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877137949 643172798 /nfs/dbraw/zinc/17/27/98/643172798.db2.gz GGBLKOQTABVASA-UHFFFAOYSA-N 2 0 291.782 2.833 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CC1(C)CCCC1 ZINC000877159549 643182090 /nfs/dbraw/zinc/18/20/90/643182090.db2.gz YHWVHZPSBIMUTG-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CCCCCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126449078 643227660 /nfs/dbraw/zinc/22/76/60/643227660.db2.gz UXCFCUYUJYJGSB-UHFFFAOYSA-N 2 0 269.477 2.525 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2cccnc2)C1 ZINC000877524850 643328336 /nfs/dbraw/zinc/32/83/36/643328336.db2.gz IKTLEIKHDUMAMM-WBVHZDCISA-N 2 0 275.440 2.723 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1nc(Cl)cs1)C1CC1 ZINC000877578231 643375387 /nfs/dbraw/zinc/37/53/87/643375387.db2.gz ZLDVYHBVSNUPMC-UHFFFAOYSA-N 2 0 273.833 2.761 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000877634436 643419358 /nfs/dbraw/zinc/41/93/58/643419358.db2.gz KFSVKXUHVLEQPV-DOMZBBRYSA-N 2 0 268.470 2.735 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000877642687 643426744 /nfs/dbraw/zinc/42/67/44/643426744.db2.gz QRNGMGZXEPPCMY-ZDUSSCGKSA-N 2 0 291.266 2.892 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000877642202 643426831 /nfs/dbraw/zinc/42/68/31/643426831.db2.gz GPPQYUFDKOYULN-AWEZNQCLSA-N 2 0 288.501 2.561 20 0 CFADRP COCC[N@@H+](Cc1ccsc1)CC1CC[NH+](C)CC1 ZINC000877665399 643442011 /nfs/dbraw/zinc/44/20/11/643442011.db2.gz UKMIGPPFBVHKAO-UHFFFAOYSA-N 2 0 282.453 2.538 20 0 CFADRP COCC[N@@H+](Cc1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC000877665420 643442153 /nfs/dbraw/zinc/44/21/53/643442153.db2.gz UXVQIABFFGVQLE-UHFFFAOYSA-N 2 0 294.414 2.616 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)sn1 ZINC000877684118 643453198 /nfs/dbraw/zinc/45/31/98/643453198.db2.gz GZHLREUAHHIVCH-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CO[C@](C)(C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CC1 ZINC000877684166 643453448 /nfs/dbraw/zinc/45/34/48/643453448.db2.gz JNUAMFARKCORFK-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H](COC)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718688 643482869 /nfs/dbraw/zinc/48/28/69/643482869.db2.gz PFSHCBNNKGAQQH-QGZVFWFLSA-N 2 0 290.451 2.665 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877738191 643501939 /nfs/dbraw/zinc/50/19/39/643501939.db2.gz AMJGIZZBGIJHLI-KYJSFNMBSA-N 2 0 288.435 2.825 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877738679 643504267 /nfs/dbraw/zinc/50/42/67/643504267.db2.gz CKHVIHBSJJLJAW-IRXDYDNUSA-N 2 0 258.409 2.564 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000877742672 643515084 /nfs/dbraw/zinc/51/50/84/643515084.db2.gz QKCNUQHCGRMRKS-XDNAFOTISA-N 2 0 270.420 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@H]21 ZINC000877743950 643517793 /nfs/dbraw/zinc/51/77/93/643517793.db2.gz ZAUWCOJRWSFMST-NVXWUHKLSA-N 2 0 272.436 2.990 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000877743991 643519556 /nfs/dbraw/zinc/51/95/56/643519556.db2.gz NVMRRKDOIPVXLT-RHSMWYFYSA-N 2 0 269.392 2.694 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000877744573 643523000 /nfs/dbraw/zinc/52/30/00/643523000.db2.gz VPJYBKRXFPMOGW-RDJZCZTQSA-N 2 0 281.403 2.761 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000877746109 643525220 /nfs/dbraw/zinc/52/52/20/643525220.db2.gz HYSBYUAVXMPFAQ-SJORKVTESA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@H](C)C1 ZINC000089516286 650846196 /nfs/dbraw/zinc/84/61/96/650846196.db2.gz VEGWGTQUWWANBB-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP CC(C)(C)SCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089516271 650846227 /nfs/dbraw/zinc/84/62/27/650846227.db2.gz VKHNKDAADXXMJE-CHWSQXEVSA-N 2 0 256.459 2.735 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000877988940 643681953 /nfs/dbraw/zinc/68/19/53/643681953.db2.gz NEQFRTSTBVLURK-IXDOHACOSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878034667 643703307 /nfs/dbraw/zinc/70/33/07/643703307.db2.gz QGIZRJZAGNJPFU-INIZCTEOSA-N 2 0 282.472 2.996 20 0 CFADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000878106588 643737718 /nfs/dbraw/zinc/73/77/18/643737718.db2.gz IYHYYUYCKWYBIQ-RCCFBDPRSA-N 2 0 296.499 2.980 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878148895 643759418 /nfs/dbraw/zinc/75/94/18/643759418.db2.gz SCDRERLJBRZOHE-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878155874 643765146 /nfs/dbraw/zinc/76/51/46/643765146.db2.gz GOFGPOYFUYQCTA-IRXDYDNUSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878156661 643765207 /nfs/dbraw/zinc/76/52/07/643765207.db2.gz NMFSYNGHLLQJQB-SJORKVTESA-N 2 0 292.467 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)O2)C[C@@H]1C ZINC000878162635 643768898 /nfs/dbraw/zinc/76/88/98/643768898.db2.gz HTGMDKLHZMMTPN-HRCADAONSA-N 2 0 280.456 2.893 20 0 CFADRP C=C/C=C/CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878322570 643839051 /nfs/dbraw/zinc/83/90/51/643839051.db2.gz NLHIRRHDIWHLOA-AATRIKPKSA-N 2 0 291.483 2.609 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878513261 643922443 /nfs/dbraw/zinc/92/24/43/643922443.db2.gz YUSIMSRWQGLTAJ-CABCVRRESA-N 2 0 268.445 2.750 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC000878652738 643976141 /nfs/dbraw/zinc/97/61/41/643976141.db2.gz SUNFHVFXNBZMEX-KRWDZBQOSA-N 2 0 262.441 2.984 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000878864136 644054384 /nfs/dbraw/zinc/05/43/84/644054384.db2.gz RDJWNWQEUFJQBX-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSC(F)(F)F)[C@@H](C)C1 ZINC000246932598 650888679 /nfs/dbraw/zinc/88/86/79/650888679.db2.gz HFOCAQPYOQMVFY-UWVGGRQHSA-N 2 0 270.364 2.559 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245742 644192527 /nfs/dbraw/zinc/19/25/27/644192527.db2.gz MVTBCOKKEIGTOB-QZTJIDSGSA-N 2 0 290.451 2.916 20 0 CFADRP Cc1cncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC000879249812 644194533 /nfs/dbraw/zinc/19/45/33/644194533.db2.gz CAMNBKOAHXJRJH-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CC(C)SCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250534 644194799 /nfs/dbraw/zinc/19/47/99/644194799.db2.gz IGDLHARAEOSWNL-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879406756 644258717 /nfs/dbraw/zinc/25/87/17/644258717.db2.gz QWJVBOUDQCNTFV-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000879582529 644338095 /nfs/dbraw/zinc/33/80/95/644338095.db2.gz SHEKPRITGHNMKQ-DOTOQJQBSA-N 2 0 276.399 2.784 20 0 CFADRP C[C@@H]1C[C@@H](Nc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000127957936 644385610 /nfs/dbraw/zinc/38/56/10/644385610.db2.gz ZSHWKFNJKGTXSF-ZBFHGGJFSA-N 2 0 291.439 2.522 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1CCO[C@@H]1C)CC1CC[NH+](C)CC1 ZINC000879706595 644390927 /nfs/dbraw/zinc/39/09/27/644390927.db2.gz ZOKVBGDQAKIKFT-WBVHZDCISA-N 2 0 282.472 2.711 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000093209794 650934863 /nfs/dbraw/zinc/93/48/63/650934863.db2.gz BLQFQZUPXHIICM-SJLPKXTDSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@H]1C[N@H+](CCCc2ccncc2)CCN1c1cc[nH+]cc1 ZINC000880258750 644616865 /nfs/dbraw/zinc/61/68/65/644616865.db2.gz CDPUMHGUUYUGOE-INIZCTEOSA-N 2 0 296.418 2.620 20 0 CFADRP Cc1cccc(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC000880258945 644617231 /nfs/dbraw/zinc/61/72/31/644617231.db2.gz LCYVWKYUCFBTAO-MRXNPFEDSA-N 2 0 296.418 2.538 20 0 CFADRP CC(C)OC1CC([N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000880258824 644617442 /nfs/dbraw/zinc/61/74/42/644617442.db2.gz JRKSCIJEFPPJNH-ODIFPOPNSA-N 2 0 289.423 2.548 20 0 CFADRP C[C@@H]1C[N@H+](CCc2cccs2)CCN1c1cc[nH+]cc1 ZINC000880260916 644618735 /nfs/dbraw/zinc/61/87/35/644618735.db2.gz GUURLQBSIBLDTO-CQSZACIVSA-N 2 0 287.432 2.896 20 0 CFADRP Fc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451517 650940137 /nfs/dbraw/zinc/94/01/37/650940137.db2.gz YTDHEBCCTSFTKN-OWCLPIDISA-N 2 0 262.372 2.836 20 0 CFADRP CC1CC[NH+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093491018 650940751 /nfs/dbraw/zinc/94/07/51/650940751.db2.gz QKUZYUZNEUUGEG-FGTMMUONSA-N 2 0 293.499 2.619 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000880473463 644727295 /nfs/dbraw/zinc/72/72/95/644727295.db2.gz FGAPPWYSBJEVDK-CYBMUJFWSA-N 2 0 272.383 2.982 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000880473545 644727998 /nfs/dbraw/zinc/72/79/98/644727998.db2.gz HYIDSSTYHVLIQJ-HNNXBMFYSA-N 2 0 266.429 2.506 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249061167 650953601 /nfs/dbraw/zinc/95/36/01/650953601.db2.gz ZZSIKAZWYHGMNT-HZPDHXFCSA-N 2 0 266.429 2.781 20 0 CFADRP CS[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000128614761 644839691 /nfs/dbraw/zinc/83/96/91/644839691.db2.gz SLSLPVTXQKYILL-KGLIPLIRSA-N 2 0 256.459 2.733 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250091449 650971243 /nfs/dbraw/zinc/97/12/43/650971243.db2.gz PURDDQJDOACIOQ-RBSFLKMASA-N 2 0 264.438 2.801 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250689052 650978298 /nfs/dbraw/zinc/97/82/98/650978298.db2.gz ILDSCZGMIKJQTR-JYJNAYRXSA-N 2 0 290.455 2.514 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251169338 650984950 /nfs/dbraw/zinc/98/49/50/650984950.db2.gz DTGUTGYJASHXSZ-TWMKSMIVSA-N 2 0 279.472 2.514 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000251287848 650986895 /nfs/dbraw/zinc/98/68/95/650986895.db2.gz UJLYMCXYXGBWNA-BBWFWOEESA-N 2 0 288.435 2.979 20 0 CFADRP CCC[NH+]1CCC(CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000303268252 650991909 /nfs/dbraw/zinc/99/19/09/650991909.db2.gz YPSRFEXZHIYCHW-UHFFFAOYSA-N 2 0 274.412 2.745 20 0 CFADRP C(=C\c1ccccc1)\C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000096863379 651000651 /nfs/dbraw/zinc/00/06/51/651000651.db2.gz DWOGWBSAGUEGPZ-DAXSKMNVSA-N 2 0 256.393 2.775 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000130180005 645467345 /nfs/dbraw/zinc/46/73/45/645467345.db2.gz DEBPSIPCEAOASA-IAOVAPTHSA-N 2 0 286.419 2.899 20 0 CFADRP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000882952599 645524680 /nfs/dbraw/zinc/52/46/80/645524680.db2.gz ZKDRMHMHHXRJSV-CQSZACIVSA-N 2 0 289.423 2.561 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131038925 645610454 /nfs/dbraw/zinc/61/04/54/645610454.db2.gz PJXHIHXFUCCTBR-CHWSQXEVSA-N 2 0 258.365 2.992 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131038254 645610931 /nfs/dbraw/zinc/61/09/31/645610931.db2.gz BRNNDKIRNFOKFJ-CYBMUJFWSA-N 2 0 258.365 2.994 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131039371 645611211 /nfs/dbraw/zinc/61/12/11/645611211.db2.gz PJXHIHXFUCCTBR-OLZOCXBDSA-N 2 0 258.365 2.992 20 0 CFADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000252909744 651028930 /nfs/dbraw/zinc/02/89/30/651028930.db2.gz AXZAAUWIZXTRRS-REWJHTLYSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCSC2)C1 ZINC000131150057 645637110 /nfs/dbraw/zinc/63/71/10/645637110.db2.gz NREJTPRVSGWIRQ-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)N1CC[NH+](C)CC1 ZINC000883169745 645637331 /nfs/dbraw/zinc/63/73/31/645637331.db2.gz CEKHJBJTUIIHMA-DLBZAZTESA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)CC1(C)C ZINC000883242612 645690242 /nfs/dbraw/zinc/69/02/42/645690242.db2.gz MARKZPUWMISUIY-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000883353951 645758376 /nfs/dbraw/zinc/75/83/76/645758376.db2.gz HRTLAZYCJMGFBX-CGTJXYLNSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883415948 645809711 /nfs/dbraw/zinc/80/97/11/645809711.db2.gz ILEVKDQYOZPOMH-ROUUACIJSA-N 2 0 288.435 2.981 20 0 CFADRP CC1(C)C[C@@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)C(C)(C)O1 ZINC000883416035 645809946 /nfs/dbraw/zinc/80/99/46/645809946.db2.gz KFXAYMZFQDVBNA-ZDUSSCGKSA-N 2 0 280.456 2.797 20 0 CFADRP [NH3+]CC1CC[NH+](CCc2ccccc2Br)CC1 ZINC000883415822 645810202 /nfs/dbraw/zinc/81/02/02/645810202.db2.gz FUTZDKYPTZZEDH-UHFFFAOYSA-N 2 0 297.240 2.662 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883417052 645811374 /nfs/dbraw/zinc/81/13/74/645811374.db2.gz MHTIWBMSRIDZDR-JQHSSLGASA-N 2 0 288.435 2.838 20 0 CFADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883417668 645811538 /nfs/dbraw/zinc/81/15/38/645811538.db2.gz ITBWZDYYQFCQQR-JKSUJKDBSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883418077 645812425 /nfs/dbraw/zinc/81/24/25/645812425.db2.gz WKRIPCZOYSMEMC-XQQFMLRXSA-N 2 0 260.372 2.871 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883428141 645822516 /nfs/dbraw/zinc/82/25/16/645822516.db2.gz MQOIWDLLOFLZPX-FGTMMUONSA-N 2 0 288.435 2.968 20 0 CFADRP CC1(C)C[C@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C(C)(C)O1 ZINC000883428420 645822664 /nfs/dbraw/zinc/82/26/64/645822664.db2.gz TXKBVCWGTYMMCU-HZPDHXFCSA-N 2 0 294.483 2.902 20 0 CFADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883429700 645824024 /nfs/dbraw/zinc/82/40/24/645824024.db2.gz BUELQZSLISOSRW-KGLIPLIRSA-N 2 0 272.383 2.887 20 0 CFADRP CC[NH+](CC)CCCC1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883430904 645825531 /nfs/dbraw/zinc/82/55/31/645825531.db2.gz HCRMTEWMPCJFNQ-IRXDYDNUSA-N 2 0 299.478 2.520 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000883447363 645836957 /nfs/dbraw/zinc/83/69/57/645836957.db2.gz AFASRBJNVDWVJO-MRXNPFEDSA-N 2 0 298.434 2.866 20 0 CFADRP c1ccc([C@H]2CSCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000883460973 645843553 /nfs/dbraw/zinc/84/35/53/645843553.db2.gz LOKKNKMCQNEPEI-GOEBONIOSA-N 2 0 276.449 2.776 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CCC1CC[NH2+]CC1)CC(C)C ZINC000883461432 645844435 /nfs/dbraw/zinc/84/44/35/645844435.db2.gz UUACZWSYIWNYJY-UHFFFAOYSA-N 2 0 298.471 2.533 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000883464571 645847076 /nfs/dbraw/zinc/84/70/76/645847076.db2.gz QPJIJAHWWZFIDA-MRXNPFEDSA-N 2 0 273.424 2.911 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCS2 ZINC000132074737 645873727 /nfs/dbraw/zinc/87/37/27/645873727.db2.gz QFDLOTSPPBJEIY-BXUZGUMPSA-N 2 0 280.412 2.952 20 0 CFADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000884038003 646131435 /nfs/dbraw/zinc/13/14/35/646131435.db2.gz UEEQZZNLILXJHK-FZMZJTMJSA-N 2 0 277.412 2.654 20 0 CFADRP CC[C@H](C(=O)OCCC[NH+]1CCCCC1)[NH+](CC)CC ZINC000800173022 646168739 /nfs/dbraw/zinc/16/87/39/646168739.db2.gz CPWGGVVGRHMLKS-OAHLLOKOSA-N 2 0 284.444 2.526 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cncc3ccccc32)CC1 ZINC000135378317 646528658 /nfs/dbraw/zinc/52/86/58/646528658.db2.gz DDUSZKCMYMSQCY-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000885961387 646784621 /nfs/dbraw/zinc/78/46/21/646784621.db2.gz XBBHGSYZSMNWLL-MSOLQXFVSA-N 2 0 294.483 2.857 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCCC[NH+]2CCCCC2)c1C ZINC000885981951 646794581 /nfs/dbraw/zinc/79/45/81/646794581.db2.gz RIUNYLYJZKXCFD-UHFFFAOYSA-N 2 0 278.444 2.772 20 0 CFADRP C([C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCC1 ZINC000886019165 646821338 /nfs/dbraw/zinc/82/13/38/646821338.db2.gz MWLOPGDWIGQLSZ-IRXDYDNUSA-N 2 0 292.467 2.753 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886030132 646828349 /nfs/dbraw/zinc/82/83/49/646828349.db2.gz GWQCSLSELZTVIN-USXIJHARSA-N 2 0 280.456 2.608 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886033579 646831901 /nfs/dbraw/zinc/83/19/01/646831901.db2.gz XADKKVPVZDDQRP-IMJJTQAJSA-N 2 0 250.430 2.696 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C3CC3)O2)[C@@H](C)C1 ZINC000886069831 646854393 /nfs/dbraw/zinc/85/43/93/646854393.db2.gz KWAPVHFADGNCNU-HJWJTTGWSA-N 2 0 280.456 2.606 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000886143205 646893124 /nfs/dbraw/zinc/89/31/24/646893124.db2.gz WHRGCENENLSTQQ-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886171451 646906888 /nfs/dbraw/zinc/90/68/88/646906888.db2.gz HJRYGNKPEVNROG-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000886489393 647017028 /nfs/dbraw/zinc/01/70/28/647017028.db2.gz HPVMKUUHTBTYEV-PCKAHOCUSA-N 2 0 266.429 2.552 20 0 CFADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000886497087 647019733 /nfs/dbraw/zinc/01/97/33/647019733.db2.gz RQICYVXHSQQFKG-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886511342 647024029 /nfs/dbraw/zinc/02/40/29/647024029.db2.gz QWFOIJOKRPWGML-AQFXKWCLSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886522066 647026472 /nfs/dbraw/zinc/02/64/72/647026472.db2.gz BFWFUDCMXNPLPX-INIZCTEOSA-N 2 0 273.424 2.781 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000886523029 647027809 /nfs/dbraw/zinc/02/78/09/647027809.db2.gz VPEQAXKFBNMGHV-PQUAAJSLSA-N 2 0 291.483 2.610 20 0 CFADRP CC[C@@H](C)[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525932 647028703 /nfs/dbraw/zinc/02/87/03/647028703.db2.gz BEBXDQWHRNJYJZ-GYXIZQIFSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@](O)(C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886526909 647029903 /nfs/dbraw/zinc/02/99/03/647029903.db2.gz UXKWNFBYFYHSNQ-OFLPRAFFSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]1CCCN1CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886534892 647034186 /nfs/dbraw/zinc/03/41/86/647034186.db2.gz QWDKTFDSYXIADQ-AOCRQIFASA-N 2 0 293.499 2.857 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccon2)CC1 ZINC000886536810 647035797 /nfs/dbraw/zinc/03/57/97/647035797.db2.gz OTUXEHWMRDNZDP-UHFFFAOYSA-N 2 0 263.385 2.561 20 0 CFADRP CC[C@H](O)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886549405 647042635 /nfs/dbraw/zinc/04/26/35/647042635.db2.gz HQGAFDIZTIAPSX-CGZBRXJRSA-N 2 0 282.472 2.924 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886553289 647044700 /nfs/dbraw/zinc/04/47/00/647044700.db2.gz ITMZAPLGPKBGOB-BCLQGDPASA-N 2 0 273.424 2.779 20 0 CFADRP CC1(C)OCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000886590561 647057607 /nfs/dbraw/zinc/05/76/07/647057607.db2.gz YPIPAEOOILSRBO-UHFFFAOYSA-N 2 0 296.455 2.525 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCc2cccnc21)C1CC1 ZINC000886624157 647074285 /nfs/dbraw/zinc/07/42/85/647074285.db2.gz YPLPROBKUFWEAA-OAHLLOKOSA-N 2 0 259.397 2.533 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000886636493 647080403 /nfs/dbraw/zinc/08/04/03/647080403.db2.gz OZSVXDCGBBKESE-CGZBRXJRSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H](C[C@H](C)O)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886650030 647088613 /nfs/dbraw/zinc/08/86/13/647088613.db2.gz NVAFSXABUXVTCZ-NJINODPHSA-N 2 0 282.472 2.923 20 0 CFADRP CCC1([NH+]2CCC2)CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000886714929 647119626 /nfs/dbraw/zinc/11/96/26/647119626.db2.gz XZYVTIFIERKUNR-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@H]2CCC(C)(C)O2)CC1 ZINC000886716426 647120062 /nfs/dbraw/zinc/12/00/62/647120062.db2.gz YLHJNZRREMJZPA-OAHLLOKOSA-N 2 0 280.456 2.894 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+]([C@H]2CC[C@H](OC)C2)CC1 ZINC000886718126 647121628 /nfs/dbraw/zinc/12/16/28/647121628.db2.gz RHKGRDSGQDAMGQ-GJZGRUSLSA-N 2 0 266.429 2.504 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC1 ZINC000886774993 647133471 /nfs/dbraw/zinc/13/34/71/647133471.db2.gz ZJPLAGFIYIOVND-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838360 647158344 /nfs/dbraw/zinc/15/83/44/647158344.db2.gz VWXZAHYUFBMDML-TVFCKZIOSA-N 2 0 292.467 2.656 20 0 CFADRP FC(F)(F)SCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000886837871 647158437 /nfs/dbraw/zinc/15/84/37/647158437.db2.gz OHXGNRVXKAHKLS-LLVKDONJSA-N 2 0 282.375 2.561 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCSC(F)(F)F)CC[NH2+]CC2 ZINC000886839574 647159337 /nfs/dbraw/zinc/15/93/37/647159337.db2.gz HUQWLMJOJHRYKV-SNVBAGLBSA-N 2 0 282.375 2.703 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000886840285 647159565 /nfs/dbraw/zinc/15/95/65/647159565.db2.gz YPZRHONHFJCDPW-BDXSIMOUSA-N 2 0 292.467 2.641 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000886840353 647159686 /nfs/dbraw/zinc/15/96/86/647159686.db2.gz ZTWQOWBMLYDWNR-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839559 647159713 /nfs/dbraw/zinc/15/97/13/647159713.db2.gz HLHNEXJVRFTDHH-TWMKSMIVSA-N 2 0 262.441 2.744 20 0 CFADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000886858071 647163072 /nfs/dbraw/zinc/16/30/72/647163072.db2.gz LGTAGTKWWXUWAH-AGIUHOORSA-N 2 0 276.346 2.650 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872103 647165447 /nfs/dbraw/zinc/16/54/47/647165447.db2.gz JAIFRRJMJNVAOA-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872701 647165785 /nfs/dbraw/zinc/16/57/85/647165785.db2.gz YWDWLXYHVGBNEV-GOSISDBHSA-N 2 0 287.451 2.718 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000887132857 647222657 /nfs/dbraw/zinc/22/26/57/647222657.db2.gz OROUPZSWGGQSAE-GOEBONIOSA-N 2 0 257.381 2.701 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000887134764 647223570 /nfs/dbraw/zinc/22/35/70/647223570.db2.gz PTFZEKKOHKBSGJ-LBPRGKRZSA-N 2 0 281.350 2.637 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000222930683 647326570 /nfs/dbraw/zinc/32/65/70/647326570.db2.gz XUBHLHZFGSMKRK-WCQGTBRESA-N 2 0 254.324 2.885 20 0 CFADRP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000925495257 647854097 /nfs/dbraw/zinc/85/40/97/647854097.db2.gz MNFHXLJSQALYMI-YOEHRIQHSA-N 2 0 275.440 2.539 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1nonc1C ZINC000924527588 647987116 /nfs/dbraw/zinc/98/71/16/647987116.db2.gz KIUXAISXVHQVPX-NEPJUHHUSA-N 2 0 268.405 2.539 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCOC(C)C)CC1 ZINC000924550935 647992908 /nfs/dbraw/zinc/99/29/08/647992908.db2.gz UKTZRJBAZIDSIX-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924577374 647998442 /nfs/dbraw/zinc/99/84/42/647998442.db2.gz JFNGRNJTYZCUDA-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924574203 647998450 /nfs/dbraw/zinc/99/84/50/647998450.db2.gz UIKSMXCCAYREBD-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccnnc1 ZINC000924605230 648005557 /nfs/dbraw/zinc/00/55/57/648005557.db2.gz DTXVKBDFTSUEHP-OAHLLOKOSA-N 2 0 296.418 2.923 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924661568 648021222 /nfs/dbraw/zinc/02/12/22/648021222.db2.gz NPRUQQOGBRYEIO-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]1OC[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@H]1C ZINC000924681571 648025669 /nfs/dbraw/zinc/02/56/69/648025669.db2.gz PFNVUTBDVQVXEQ-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)on1 ZINC000924684765 648026856 /nfs/dbraw/zinc/02/68/56/648026856.db2.gz FSOWWYAOGCEBOK-KGLIPLIRSA-N 2 0 295.427 2.988 20 0 CFADRP C[C@H]1OC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000924688999 648027451 /nfs/dbraw/zinc/02/74/51/648027451.db2.gz WDYWRVNXLSVHPK-KLHDSHLOSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(Br)CC1 ZINC000924697404 648028354 /nfs/dbraw/zinc/02/83/54/648028354.db2.gz LOYSGTOLIPBYRG-TUAOUCFPSA-N 2 0 287.245 2.519 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000924708182 648031393 /nfs/dbraw/zinc/03/13/93/648031393.db2.gz WWSALZNNCGSPLW-SOLBZPMBSA-N 2 0 287.451 2.724 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000924712316 648032683 /nfs/dbraw/zinc/03/26/83/648032683.db2.gz IORFERCQOYFLSU-MQVJKMGUSA-N 2 0 280.481 2.877 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)C1CC1 ZINC000924715486 648033716 /nfs/dbraw/zinc/03/37/16/648033716.db2.gz GTUDASXINYUVAO-BPQIPLTHSA-N 2 0 287.451 2.723 20 0 CFADRP C[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)C[NH+]1CCCCC1 ZINC000924722714 648035987 /nfs/dbraw/zinc/03/59/87/648035987.db2.gz UGHIIWKWHUFNPL-JUVOFCAFSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1ncco1 ZINC000924728375 648038033 /nfs/dbraw/zinc/03/80/33/648038033.db2.gz FJXKFOABEQHVGL-NWDGAFQWSA-N 2 0 262.357 2.637 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C(C)C ZINC000924801525 648051022 /nfs/dbraw/zinc/05/10/22/648051022.db2.gz XWTBEVRQSUQSOT-UYTSQGDYSA-N 2 0 268.445 2.652 20 0 CFADRP CSC1CC([NH2+]Cc2ccccc2OCC[NH+](C)C)C1 ZINC000924860859 648061438 /nfs/dbraw/zinc/06/14/38/648061438.db2.gz GJQBKRVPGMWHST-UHFFFAOYSA-N 2 0 294.464 2.611 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000924913257 648070718 /nfs/dbraw/zinc/07/07/18/648070718.db2.gz VCIXQUCYAFBYRZ-VMBOVVBDSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924955739 648078542 /nfs/dbraw/zinc/07/85/42/648078542.db2.gz SYIAYNMPEQNUHE-IAGOWNOFSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCN(C)C1CCCC1 ZINC000924971038 648083554 /nfs/dbraw/zinc/08/35/54/648083554.db2.gz WBEVQNBWJPTAAF-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCOCC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925004021 648086834 /nfs/dbraw/zinc/08/68/34/648086834.db2.gz XSGVDFZPLBBTEP-CQSZACIVSA-N 2 0 276.424 2.825 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925095276 648104661 /nfs/dbraw/zinc/10/46/61/648104661.db2.gz SVFHKUYRWUEMDG-HNNXBMFYSA-N 2 0 292.467 2.800 20 0 CFADRP CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925120905 648110121 /nfs/dbraw/zinc/11/01/21/648110121.db2.gz LNFXJRPHGXMOGY-CJNGLKHVSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@H]([NH2+]CCNc1ccccn1)c1cccc(C[NH+](C)C)c1 ZINC000925126188 648111780 /nfs/dbraw/zinc/11/17/80/648111780.db2.gz MYWMJHJTOUBKCS-HNNXBMFYSA-N 2 0 298.434 2.906 20 0 CFADRP CN(C)[C@@]1(C[NH2+]C2CC3(C2)CCCC3)CCSC1 ZINC000925211102 648132384 /nfs/dbraw/zinc/13/23/84/648132384.db2.gz AVGFAPZEXMXGHU-OAHLLOKOSA-N 2 0 268.470 2.736 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000925218912 648134689 /nfs/dbraw/zinc/13/46/89/648134689.db2.gz ADHUVIBIPRUFCP-ZWKOTPCHSA-N 2 0 295.515 2.959 20 0 CFADRP c1ccc(NCCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)nc1 ZINC000925230730 648137177 /nfs/dbraw/zinc/13/71/77/648137177.db2.gz DCHQGFXQBXLKJR-ZNMIVQPWSA-N 2 0 257.381 2.828 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925233367 648138752 /nfs/dbraw/zinc/13/87/52/648138752.db2.gz UMQRDHUZFRUJPM-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000925250817 648143132 /nfs/dbraw/zinc/14/31/32/648143132.db2.gz VCHJSLSCVYNVTP-WMLDXEAASA-N 2 0 276.424 2.968 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925459444 648174151 /nfs/dbraw/zinc/17/41/51/648174151.db2.gz GMVJDVOKTUENMU-DYVFJYSZSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925459446 648174269 /nfs/dbraw/zinc/17/42/69/648174269.db2.gz GMVJDVOKTUENMU-GUYCJALGSA-N 2 0 276.424 2.560 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(F)cc1 ZINC000925479964 648180221 /nfs/dbraw/zinc/18/02/21/648180221.db2.gz TTYCPTPZLLBULQ-NCZBFZFDSA-N 2 0 288.410 2.689 20 0 CFADRP CCOCCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925480410 648180375 /nfs/dbraw/zinc/18/03/75/648180375.db2.gz LXFKJWDKVGFOEM-JKSUJKDBSA-N 2 0 268.445 2.561 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925486490 648181138 /nfs/dbraw/zinc/18/11/38/648181138.db2.gz HPVRLRNGDZFUQD-GOSISDBHSA-N 3 0 289.467 2.788 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925504238 648187660 /nfs/dbraw/zinc/18/76/60/648187660.db2.gz NEBKDXXTLKAWIY-QZTJIDSGSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925504764 648187773 /nfs/dbraw/zinc/18/77/73/648187773.db2.gz MRYUIJHUPSKOEE-QKPAOTATSA-N 2 0 281.488 2.602 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000925503886 648187811 /nfs/dbraw/zinc/18/78/11/648187811.db2.gz QBYFJENQSADIEB-INIZCTEOSA-N 2 0 298.386 2.985 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925506367 648188678 /nfs/dbraw/zinc/18/86/78/648188678.db2.gz WLRQNEANAYPZOS-MCIONIFRSA-N 2 0 256.434 2.687 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925505295 648189122 /nfs/dbraw/zinc/18/91/22/648189122.db2.gz QHHJWXREGNHTRD-MRXNPFEDSA-N 2 0 273.424 2.753 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C12CCC2 ZINC000925508806 648190819 /nfs/dbraw/zinc/19/08/19/648190819.db2.gz JRAYIAMBDGRGEB-RBSFLKMASA-N 2 0 260.356 2.673 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925511493 648191273 /nfs/dbraw/zinc/19/12/73/648191273.db2.gz NXMAMDZGUOQNNC-RHSMWYFYSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925510944 648191340 /nfs/dbraw/zinc/19/13/40/648191340.db2.gz CONZAWQILUTNAI-AEFFLSMTSA-N 2 0 289.467 2.787 20 0 CFADRP [NH3+][C@@H]1C[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C12CCC2 ZINC000925519953 648196314 /nfs/dbraw/zinc/19/63/14/648196314.db2.gz UBHDTYIZMBSONV-KZNAEPCWSA-N 2 0 299.462 2.683 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2OCCc3sccc32)C1 ZINC000925520947 648197473 /nfs/dbraw/zinc/19/74/73/648197473.db2.gz BNYUOAZPOMQIBN-BZPMIXESSA-N 2 0 294.464 2.858 20 0 CFADRP c1ccc(CCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925521704 648197654 /nfs/dbraw/zinc/19/76/54/648197654.db2.gz DDSCNYTUNAMLIC-INIZCTEOSA-N 2 0 258.409 2.884 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925523974 648198147 /nfs/dbraw/zinc/19/81/47/648198147.db2.gz WTGWCAYYBVNSNS-QMEMDYBXSA-N 2 0 270.420 2.685 20 0 CFADRP CCCCOCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925523789 648198809 /nfs/dbraw/zinc/19/88/09/648198809.db2.gz ZTQJYCGKURNHDS-CVEARBPZSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925524859 648199706 /nfs/dbraw/zinc/19/97/06/648199706.db2.gz AZPDTBDNMMELHD-DNVCBOLYSA-N 2 0 297.446 2.926 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528223 648201255 /nfs/dbraw/zinc/20/12/55/648201255.db2.gz ZULUIAIIILYEHF-IAGOWNOFSA-N 2 0 289.467 2.744 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925529182 648201480 /nfs/dbraw/zinc/20/14/80/648201480.db2.gz CGUTVSGIMPJWRC-ZWMPHZAGSA-N 2 0 280.481 2.637 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530497 648202098 /nfs/dbraw/zinc/20/20/98/648202098.db2.gz RVGJLIKQHYLUDE-IXDOHACOSA-N 2 0 288.435 2.569 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCOC2CCCC2)C1 ZINC000925530015 648202172 /nfs/dbraw/zinc/20/21/72/648202172.db2.gz ASPKQLXJJZEHCU-ZIAGYGMSSA-N 2 0 268.445 2.831 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCOC2CCCC2)C1 ZINC000925530014 648202576 /nfs/dbraw/zinc/20/25/76/648202576.db2.gz ASPKQLXJJZEHCU-UONOGXRCSA-N 2 0 268.445 2.831 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925535717 648205495 /nfs/dbraw/zinc/20/54/95/648205495.db2.gz JVPQCCGTZQRNQR-BBWFWOEESA-N 2 0 293.499 2.747 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000925536942 648205912 /nfs/dbraw/zinc/20/59/12/648205912.db2.gz TXYZCQKNAYLUKI-MXWKQRLJSA-N 2 0 264.335 2.838 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000925536637 648205988 /nfs/dbraw/zinc/20/59/88/648205988.db2.gz PYDHQXPOXSZJKL-CVEARBPZSA-N 2 0 262.397 2.625 20 0 CFADRP C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000925546511 648210275 /nfs/dbraw/zinc/21/02/75/648210275.db2.gz OBPICOBEAIRTSK-DFGXFYAUSA-N 2 0 289.467 2.927 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)c1ccsc1 ZINC000925547420 648211095 /nfs/dbraw/zinc/21/10/95/648211095.db2.gz UZJRUJOEYUNMSU-NUEKZKHPSA-N 2 0 295.496 2.861 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c[nH]c2c1 ZINC000925549250 648212359 /nfs/dbraw/zinc/21/23/59/648212359.db2.gz WGZXNJLAZMQZPP-WMRANVBESA-N 2 0 295.430 2.605 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925554769 648214276 /nfs/dbraw/zinc/21/42/76/648214276.db2.gz AWIIGUADOZPXTF-DLBZAZTESA-N 2 0 291.439 2.592 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925554521 648214479 /nfs/dbraw/zinc/21/44/79/648214479.db2.gz BJERWLCAOZCOME-DLBZAZTESA-N 2 0 292.467 2.677 20 0 CFADRP c1[nH]c2ccccc2c1CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925557837 648215640 /nfs/dbraw/zinc/21/56/40/648215640.db2.gz QUEWHHOTGOEQKR-FUUSMOTLSA-N 2 0 295.430 2.687 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCCC1 ZINC000925560212 648216564 /nfs/dbraw/zinc/21/65/64/648216564.db2.gz ZOHKWZVNIGEYPN-HNNXBMFYSA-N 2 0 280.456 2.848 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925558718 648216654 /nfs/dbraw/zinc/21/66/54/648216654.db2.gz QNEWFFNYNRBYBC-IXDOHACOSA-N 2 0 288.435 2.699 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[NH2+]C2(C)C)n1 ZINC000925566478 648219821 /nfs/dbraw/zinc/21/98/21/648219821.db2.gz IGSDIAGRYCIVNY-GFCCVEGCSA-N 2 0 267.442 2.504 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000925584993 648227830 /nfs/dbraw/zinc/22/78/30/648227830.db2.gz QZFMCBZHTSTNBV-HNNXBMFYSA-N 2 0 280.456 2.848 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925586473 648228276 /nfs/dbraw/zinc/22/82/76/648228276.db2.gz SKSWWTWKBCPPGO-LSDHHAIUSA-N 2 0 274.408 2.542 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925587464 648229617 /nfs/dbraw/zinc/22/96/17/648229617.db2.gz ZQGZVIXIPWQMLG-UHOFOFEASA-N 2 0 250.430 2.790 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C12CCC2 ZINC000925594715 648231790 /nfs/dbraw/zinc/23/17/90/648231790.db2.gz QMRJQTLVWDZVHA-RRFJBIMHSA-N 2 0 260.356 2.673 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C12CCC2 ZINC000925597128 648232273 /nfs/dbraw/zinc/23/22/73/648232273.db2.gz GOTIVODNNXYWQU-UONOGXRCSA-N 2 0 282.790 2.881 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000925596903 648232677 /nfs/dbraw/zinc/23/26/77/648232677.db2.gz UXSYIWIMZYWWJZ-CHWSQXEVSA-N 2 0 285.395 2.585 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCOC2CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925602380 648235391 /nfs/dbraw/zinc/23/53/91/648235391.db2.gz UXEXJNYULLXCMM-PMPSAXMXSA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+][C@@H]1C[C@@H](N[C@@H]2CCOc3c(F)cccc32)C12CCC2 ZINC000925605705 648236596 /nfs/dbraw/zinc/23/65/96/648236596.db2.gz SCDGJCNTJWIPRX-MGPQQGTHSA-N 2 0 276.355 2.509 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000925608478 648237276 /nfs/dbraw/zinc/23/72/76/648237276.db2.gz YSMAXOVFDDCMIG-IAGOWNOFSA-N 2 0 298.434 2.830 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000925609375 648238587 /nfs/dbraw/zinc/23/85/87/648238587.db2.gz ARJYIEUBFNOGDE-INIZCTEOSA-N 2 0 258.365 2.892 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1ccc(F)cc1 ZINC000925610427 648238817 /nfs/dbraw/zinc/23/88/17/648238817.db2.gz FAAOWFQTFVYMCS-DANNLKNASA-N 2 0 294.414 2.743 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925614125 648239926 /nfs/dbraw/zinc/23/99/26/648239926.db2.gz AQGYUEIKKQNUPL-IAGOWNOFSA-N 2 0 293.499 2.619 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925617712 648240998 /nfs/dbraw/zinc/24/09/98/648240998.db2.gz RCRDBSGEIXOVKN-JKSUJKDBSA-N 2 0 280.456 2.561 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000925617842 648241247 /nfs/dbraw/zinc/24/12/47/648241247.db2.gz SHNHUHIBTBLSHY-ZBFHGGJFSA-N 2 0 291.439 2.537 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H](CCO)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925623799 648245071 /nfs/dbraw/zinc/24/50/71/648245071.db2.gz STJFXAGALPOJQH-OWCLPIDISA-N 2 0 276.424 2.606 20 0 CFADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925625857 648246788 /nfs/dbraw/zinc/24/67/88/648246788.db2.gz MBGDVRKUBJZDEN-CHWSQXEVSA-N 2 0 292.471 2.541 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[NH2+]C2(C)C)Cc2ccccc2C1 ZINC000925628245 648248194 /nfs/dbraw/zinc/24/81/94/648248194.db2.gz CCTYXHZOVXIFOM-OAHLLOKOSA-N 2 0 258.409 2.522 20 0 CFADRP CCCCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(C)n1 ZINC000925630829 648249616 /nfs/dbraw/zinc/24/96/16/648249616.db2.gz QNPVNRATNYJSTO-HOTGVXAUSA-N 2 0 292.471 2.987 20 0 CFADRP CC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925630591 648250046 /nfs/dbraw/zinc/25/00/46/648250046.db2.gz PVEQMNMWXAPTOB-CVEARBPZSA-N 2 0 270.420 2.651 20 0 CFADRP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000925631742 648251112 /nfs/dbraw/zinc/25/11/12/648251112.db2.gz JEBIOAFUTHSDBO-ZMSDIMECSA-N 2 0 291.483 2.514 20 0 CFADRP C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cn[nH]c1 ZINC000925634830 648252795 /nfs/dbraw/zinc/25/27/95/648252795.db2.gz LMVLUHSDHZXPEC-STQMWFEESA-N 2 0 272.396 2.883 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925637141 648254517 /nfs/dbraw/zinc/25/45/17/648254517.db2.gz IGJKDWWFOVYFOB-SUJAAXHWSA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2F)C12CCC2 ZINC000925637024 648255011 /nfs/dbraw/zinc/25/50/11/648255011.db2.gz GTCFCXVMRQKOQV-NEPJUHHUSA-N 2 0 284.325 2.506 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925651235 648261188 /nfs/dbraw/zinc/26/11/88/648261188.db2.gz YUWZGLMWSKQUNF-GMTAPVOTSA-N 2 0 264.335 2.967 20 0 CFADRP Cn1nc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc21 ZINC000925638322 648256130 /nfs/dbraw/zinc/25/61/30/648256130.db2.gz ATNCOAJXDTUSCP-CHWSQXEVSA-N 2 0 286.423 2.569 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCc2ccc(Cl)cc2F)C12CCC2 ZINC000925643982 648259473 /nfs/dbraw/zinc/25/94/73/648259473.db2.gz LHDZGVICLIAHFF-QWHCGFSZSA-N 2 0 268.763 2.839 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925645469 648259577 /nfs/dbraw/zinc/25/95/77/648259577.db2.gz PSTYXCGVPRECCO-UHOFOFEASA-N 2 0 294.389 2.874 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925651593 648261716 /nfs/dbraw/zinc/26/17/16/648261716.db2.gz GZYDRCOSYGJXTF-CVEARBPZSA-N 2 0 273.424 2.868 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925655197 648263598 /nfs/dbraw/zinc/26/35/98/648263598.db2.gz QZPPPTWQBDLELD-NCOADZHNSA-N 2 0 294.483 2.541 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925653945 648263798 /nfs/dbraw/zinc/26/37/98/648263798.db2.gz COEFGWBKVZPRFS-HUUCEWRRSA-N 2 0 276.449 2.811 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](O)c1ccccc1 ZINC000925654968 648263978 /nfs/dbraw/zinc/26/39/78/648263978.db2.gz SVGRSFLJCSJOFD-NCOADZHNSA-N 2 0 288.435 2.604 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)C1 ZINC000925653631 648264360 /nfs/dbraw/zinc/26/43/60/648264360.db2.gz IMRWQPVJTMEVSS-ARFHVFGLSA-N 2 0 282.472 2.671 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925656893 648264938 /nfs/dbraw/zinc/26/49/38/648264938.db2.gz KYCOBTDMBCYRDK-UONOGXRCSA-N 2 0 268.470 2.640 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925670828 648271802 /nfs/dbraw/zinc/27/18/02/648271802.db2.gz OJZXWWMWYSCIRF-OKZBNKHCSA-N 2 0 293.499 2.619 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925670154 648272378 /nfs/dbraw/zinc/27/23/78/648272378.db2.gz IWMLVBBWWUNIPV-IXDOHACOSA-N 2 0 290.451 2.778 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925672186 648273693 /nfs/dbraw/zinc/27/36/93/648273693.db2.gz TVPRZCRFOABCQY-LSDHHAIUSA-N 2 0 270.486 2.886 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676402 648275150 /nfs/dbraw/zinc/27/51/50/648275150.db2.gz ITUVDXDCZBZQOI-ULQDDVLXSA-N 3 0 293.499 2.619 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000925675645 648275398 /nfs/dbraw/zinc/27/53/98/648275398.db2.gz XVGUYONLSJIPPO-JHJVBQTASA-N 2 0 256.459 2.625 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925683927 648278003 /nfs/dbraw/zinc/27/80/03/648278003.db2.gz BETHWGPXKSCXHG-QZTJIDSGSA-N 3 0 293.499 2.619 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C12CCC2 ZINC000925683588 648278563 /nfs/dbraw/zinc/27/85/63/648278563.db2.gz SWORGECJQKEIGQ-KBPBESRZSA-N 2 0 298.789 2.717 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925690587 648281371 /nfs/dbraw/zinc/28/13/71/648281371.db2.gz IYLWPEKORMSTRS-CABCVRRESA-N 2 0 261.413 2.694 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925691263 648281695 /nfs/dbraw/zinc/28/16/95/648281695.db2.gz NRDQHAQLJOTWAL-QMCVQRASSA-N 2 0 286.419 2.658 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925690592 648281863 /nfs/dbraw/zinc/28/18/63/648281863.db2.gz IYLWPEKORMSTRS-HUUCEWRRSA-N 2 0 261.413 2.694 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccnc1 ZINC000925692653 648282343 /nfs/dbraw/zinc/28/23/43/648282343.db2.gz ORNNCQNYVYVMJZ-CABCVRRESA-N 2 0 275.440 2.855 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000925693699 648283034 /nfs/dbraw/zinc/28/30/34/648283034.db2.gz QQXGUNZPJKLNHO-QAETUUGQSA-N 2 0 262.441 2.790 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C12CCC2 ZINC000925707011 648288993 /nfs/dbraw/zinc/28/89/93/648288993.db2.gz MKJRAXASQZEHHP-ZFQMDJOTSA-N 2 0 270.367 2.814 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710702 648290433 /nfs/dbraw/zinc/29/04/33/648290433.db2.gz XOIXQSGGUILDJW-IRXDYDNUSA-N 2 0 275.440 2.541 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925709272 648290549 /nfs/dbraw/zinc/29/05/49/648290549.db2.gz HNIZYNNTNTXLRV-WBVHZDCISA-N 2 0 277.456 2.642 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000925709219 648290685 /nfs/dbraw/zinc/29/06/85/648290685.db2.gz UCUQQLJGSAUFAW-GDAOJSBYSA-N 2 0 274.383 2.729 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C[C@]1(F)Cl ZINC000925711345 648291928 /nfs/dbraw/zinc/29/19/28/648291928.db2.gz MRBSUOMPPMDJKK-MBNYWOFBSA-N 2 0 274.811 2.955 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925712511 648292408 /nfs/dbraw/zinc/29/24/08/648292408.db2.gz HNDWTIBDKJDNMT-NFAWXSAZSA-N 2 0 261.413 2.508 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2SCCS2)C1 ZINC000925715020 648294177 /nfs/dbraw/zinc/29/41/77/648294177.db2.gz BIPKCCIUEASELU-GHMZBOCLSA-N 2 0 274.499 2.678 20 0 CFADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]C1CCC(C2CCC2)CC1 ZINC000925717569 648296057 /nfs/dbraw/zinc/29/60/57/648296057.db2.gz UISBWFMIHDBABZ-HZGTYYGQSA-N 2 0 292.467 2.687 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCCC2)C12CCC2 ZINC000925719486 648296959 /nfs/dbraw/zinc/29/69/59/648296959.db2.gz TUFMOYAQIXILNC-GHMZBOCLSA-N 2 0 276.346 2.969 20 0 CFADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC(C1CCC1)C1CCC1 ZINC000925721635 648297159 /nfs/dbraw/zinc/29/71/59/648297159.db2.gz POTYVDDSGOABGW-LYEGSJOYSA-N 2 0 292.467 2.545 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925726030 648299019 /nfs/dbraw/zinc/29/90/19/648299019.db2.gz PPCZZAKRPVGXCX-DJIMGWMZSA-N 3 0 275.440 2.574 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@@H]1F ZINC000925726865 648299808 /nfs/dbraw/zinc/29/98/08/648299808.db2.gz XMBPAPDJAMQZMB-DMFQKCBSSA-N 2 0 254.393 2.763 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000925735991 648303018 /nfs/dbraw/zinc/30/30/18/648303018.db2.gz JHICRGRAYZRNFX-NWDGAFQWSA-N 2 0 262.397 2.788 20 0 CFADRP COC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000925737796 648304572 /nfs/dbraw/zinc/30/45/72/648304572.db2.gz LJWQPMQOKXCLRD-CYBMUJFWSA-N 2 0 270.804 2.745 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H](C)[C@H]1OC ZINC000925740652 648305857 /nfs/dbraw/zinc/30/58/57/648305857.db2.gz KKRZJZDGEVEDCF-JHJVBQTASA-N 2 0 256.434 2.543 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H]2CCCc3ccc(O)cc32)CC1 ZINC000925756948 648310472 /nfs/dbraw/zinc/31/04/72/648310472.db2.gz CGXCKVMHQRSCOC-INIZCTEOSA-N 2 0 274.408 2.973 20 0 CFADRP Cc1ccc(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(Cl)n1 ZINC000925764829 648312605 /nfs/dbraw/zinc/31/26/05/648312605.db2.gz IDCFGAKHJYDQCK-HZSPNIEDSA-N 2 0 293.842 2.910 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000925769802 648314278 /nfs/dbraw/zinc/31/42/78/648314278.db2.gz RFOROHMLZNQVEH-OBJOEFQTSA-N 2 0 278.396 2.624 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925773454 648316917 /nfs/dbraw/zinc/31/69/17/648316917.db2.gz NSYSMLDMPPDWBQ-RARVGVHXSA-N 2 0 262.441 2.645 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000925774289 648317534 /nfs/dbraw/zinc/31/75/34/648317534.db2.gz MCAHCVKOOKSAJU-KFWWJZLASA-N 2 0 280.456 2.831 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC1(C)C ZINC000925778724 648319676 /nfs/dbraw/zinc/31/96/76/648319676.db2.gz UXKBODOSTKGNPX-SRVKXCTJSA-N 2 0 260.372 2.646 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925791824 648325979 /nfs/dbraw/zinc/32/59/79/648325979.db2.gz SNMDDAZGUSZLSE-FMKPAKJESA-N 2 0 276.424 2.982 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925795869 648326280 /nfs/dbraw/zinc/32/62/80/648326280.db2.gz QMOMLDDNMVBDJH-HLLBOEOZSA-N 2 0 275.440 2.628 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000925800448 648327071 /nfs/dbraw/zinc/32/70/71/648327071.db2.gz RSQUNRAUYJQOBF-MBNYWOFBSA-N 2 0 280.387 2.731 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000925800280 648327532 /nfs/dbraw/zinc/32/75/32/648327532.db2.gz YFTGMOFVXYIMDI-FRRDWIJNSA-N 2 0 250.386 2.738 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1F ZINC000925800879 648327588 /nfs/dbraw/zinc/32/75/88/648327588.db2.gz ZWYTYGKWKVCRJB-IJLUTSLNSA-N 2 0 268.351 2.861 20 0 CFADRP C[C@@H]([NH2+]CCC1(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000925804586 648328037 /nfs/dbraw/zinc/32/80/37/648328037.db2.gz JZHZFXJKPSZMCR-CABCVRRESA-N 2 0 258.409 2.696 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000925802959 648328312 /nfs/dbraw/zinc/32/83/12/648328312.db2.gz KQHZNFZQXBZEPJ-RAIGVLPGSA-N 2 0 252.427 2.953 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925804455 648328374 /nfs/dbraw/zinc/32/83/74/648328374.db2.gz HZTAXMVSBYFQHT-KXKVQDCLSA-N 2 0 262.441 2.789 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805916 648328883 /nfs/dbraw/zinc/32/88/83/648328883.db2.gz WSAGQUKPRIVRQL-HOCLYGCPSA-N 2 0 258.409 2.825 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC2(c3ccccc3)CC2)C1 ZINC000925804605 648329512 /nfs/dbraw/zinc/32/95/12/648329512.db2.gz KGOXTXNTRSKDBQ-JKSUJKDBSA-N 2 0 258.409 2.968 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807156 648329992 /nfs/dbraw/zinc/32/99/92/648329992.db2.gz IYCGBZRBQXIAPW-AWEZNQCLSA-N 2 0 290.455 2.996 20 0 CFADRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000925808688 648330188 /nfs/dbraw/zinc/33/01/88/648330188.db2.gz CYOPZQUKFQOZIK-INIZCTEOSA-N 2 0 295.858 2.804 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925809377 648331316 /nfs/dbraw/zinc/33/13/16/648331316.db2.gz UJLVUYFKODQZGC-ZBFHGGJFSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1cc(N(C)C)cc[nH+]1 ZINC000925813341 648332122 /nfs/dbraw/zinc/33/21/22/648332122.db2.gz SLRBEERCODGJJD-LSDHHAIUSA-N 2 0 290.455 2.548 20 0 CFADRP C[C@@H](COCC1CCCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925826076 648335312 /nfs/dbraw/zinc/33/53/12/648335312.db2.gz JMKROWCDVFTUEF-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c2ccccc21 ZINC000925834246 648337902 /nfs/dbraw/zinc/33/79/02/648337902.db2.gz YAJJJNGAMSVVQG-BXGBBSSXSA-N 2 0 270.298 2.919 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925835259 648338482 /nfs/dbraw/zinc/33/84/82/648338482.db2.gz RBQKJIHJOOXSNR-CYBMUJFWSA-N 2 0 284.403 2.588 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000925837515 648339227 /nfs/dbraw/zinc/33/92/27/648339227.db2.gz GGKOUVXZRLXIRU-WFASDCNBSA-N 2 0 287.407 2.656 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000925838038 648339456 /nfs/dbraw/zinc/33/94/56/648339456.db2.gz JPKVBJMWRDUHOQ-BZUAXINKSA-N 2 0 299.418 2.656 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925843986 648342488 /nfs/dbraw/zinc/34/24/88/648342488.db2.gz IVTCGCHILCDEFT-IAGOWNOFSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883088 648354483 /nfs/dbraw/zinc/35/44/83/648354483.db2.gz UKOJHFGLJSKYRT-AXFHLTTASA-N 2 0 252.324 2.825 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCS1 ZINC000925861860 648348012 /nfs/dbraw/zinc/34/80/12/648348012.db2.gz UPCVKNLSRYJDRS-ARILJUKYSA-N 2 0 268.470 2.781 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000925880425 648353799 /nfs/dbraw/zinc/35/37/99/648353799.db2.gz RMIRLKGQWIBMGO-MCIONIFRSA-N 2 0 262.397 2.782 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCCCC2 ZINC000925882509 648354314 /nfs/dbraw/zinc/35/43/14/648354314.db2.gz NRJDWDHQZSRJTK-UGUYLWEFSA-N 2 0 280.456 2.831 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000925883516 648355495 /nfs/dbraw/zinc/35/54/95/648355495.db2.gz ZIBVPMWKZDKFNZ-WNRNVDISSA-N 2 0 270.420 2.824 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cnn1C(C)C ZINC000925883964 648355590 /nfs/dbraw/zinc/35/55/90/648355590.db2.gz ZNPCLZQXWVQRLU-YUTCNCBUSA-N 2 0 264.417 2.550 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926224942 648440376 /nfs/dbraw/zinc/44/03/76/648440376.db2.gz SSSRKMDZUOGUAC-APHBMKBZSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)(C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000926273826 648453586 /nfs/dbraw/zinc/45/35/86/648453586.db2.gz BHJHEEZTRVBLHL-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1(Cl)CC1 ZINC000926311593 648459798 /nfs/dbraw/zinc/45/97/98/648459798.db2.gz ZHGKBGXCAXLVJT-NSHDSACASA-N 2 0 256.821 2.610 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000926321801 648462565 /nfs/dbraw/zinc/46/25/65/648462565.db2.gz CHBXHBBGCGNZRP-CQSZACIVSA-N 2 0 270.486 2.840 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000926359540 648471619 /nfs/dbraw/zinc/47/16/19/648471619.db2.gz WRFVSHBFJNQSDQ-BYICEURKSA-N 2 0 283.419 2.640 20 0 CFADRP CSC1(C[NH2+]C2[C@H](C)CC[C@H]2C)CC[NH+](C)CC1 ZINC000926449943 648491868 /nfs/dbraw/zinc/49/18/68/648491868.db2.gz YKJPERWAVRGHCE-CHWSQXEVSA-N 2 0 270.486 2.838 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2c(C)noc2C)CC[NH+](C)CC1 ZINC000926449576 648492409 /nfs/dbraw/zinc/49/24/09/648492409.db2.gz WBAJXIBRXWWJKL-NSHDSACASA-N 2 0 297.468 2.769 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cccc(C[NH+](C)C)c1 ZINC000926450584 648492608 /nfs/dbraw/zinc/49/26/08/648492608.db2.gz PCOGXOXCAWMPNV-BBRMVZONSA-N 2 0 298.434 2.679 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)C[NH+](C)C ZINC000926469132 648499076 /nfs/dbraw/zinc/49/90/76/648499076.db2.gz FIEIUJHRVDCGJZ-INMHGKMJSA-N 2 0 275.440 2.580 20 0 CFADRP C[C@H]([NH2+]CCC1(CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926535254 648522537 /nfs/dbraw/zinc/52/25/37/648522537.db2.gz PHPXTSVVSICTKR-AWEZNQCLSA-N 2 0 276.424 2.561 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCOC12CCCCC2)C1CC1 ZINC000926557742 648532928 /nfs/dbraw/zinc/53/29/28/648532928.db2.gz DTKZNZDEXONVSS-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)ccc12 ZINC000926567747 648536049 /nfs/dbraw/zinc/53/60/49/648536049.db2.gz MWJCLWPPLRTERY-RDJZCZTQSA-N 2 0 285.391 2.629 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cnn(C2CCC2)c1 ZINC000926571710 648538191 /nfs/dbraw/zinc/53/81/91/648538191.db2.gz AOYVVONUZXPLSX-LSDHHAIUSA-N 2 0 290.455 2.991 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926574263 648539514 /nfs/dbraw/zinc/53/95/14/648539514.db2.gz ULQMDAGMVNWWKO-FZMZJTMJSA-N 2 0 265.401 2.674 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926605102 648550570 /nfs/dbraw/zinc/55/05/70/648550570.db2.gz AZXUMFINIFWQPP-LBDPXKHJSA-N 2 0 270.461 2.779 20 0 CFADRP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926634864 648556952 /nfs/dbraw/zinc/55/69/52/648556952.db2.gz NEQMVHGVWDWHLQ-WBVHZDCISA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926645093 648560442 /nfs/dbraw/zinc/56/04/42/648560442.db2.gz NWYCQACWLDJBLO-HZPDHXFCSA-N 2 0 270.461 2.615 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000926665665 648567069 /nfs/dbraw/zinc/56/70/69/648567069.db2.gz JUGSTYUAYQXZPO-OSAQELSMSA-N 2 0 294.826 2.841 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2SCCS2)CC1 ZINC000926725530 648592490 /nfs/dbraw/zinc/59/24/90/648592490.db2.gz JXSJVIALJBQWNM-UHFFFAOYSA-N 2 0 288.526 2.893 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000926744709 648599522 /nfs/dbraw/zinc/59/95/22/648599522.db2.gz JWQBATFRZPURFM-CZUORRHYSA-N 2 0 289.423 2.845 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000926744314 648599801 /nfs/dbraw/zinc/59/98/01/648599801.db2.gz IFXWMPIPDHGTGP-FMKPAKJESA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000926752879 648602198 /nfs/dbraw/zinc/60/21/98/648602198.db2.gz DAKZNGDMGHQEIP-WMLDXEAASA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1(Br)CC1 ZINC000926754980 648603242 /nfs/dbraw/zinc/60/32/42/648603242.db2.gz VOQWJYPTUIDRAF-NWDGAFQWSA-N 2 0 289.261 2.624 20 0 CFADRP CCON1CCC([NH2+]CCC2CC[NH+](C(C)C)CC2)CC1 ZINC000926790155 648617040 /nfs/dbraw/zinc/61/70/40/648617040.db2.gz HJGKBMBXEIPREZ-UHFFFAOYSA-N 2 0 297.487 2.502 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1nsc2ccccc21 ZINC000926863777 648638190 /nfs/dbraw/zinc/63/81/90/648638190.db2.gz GCUUHCNXTQRLLJ-HBBFGDNQSA-N 2 0 287.432 2.726 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926917100 648657347 /nfs/dbraw/zinc/65/73/47/648657347.db2.gz SHTDYZRXVIAVCV-NDBYEHHHSA-N 2 0 294.361 2.559 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000927015449 648683196 /nfs/dbraw/zinc/68/31/96/648683196.db2.gz IOULJQSNGKAOAS-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCS1 ZINC000927030057 648688792 /nfs/dbraw/zinc/68/87/92/648688792.db2.gz HFAXGNIYAHRYGF-DOMZBBRYSA-N 2 0 268.470 2.735 20 0 CFADRP CCn1ccnc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038263 648689653 /nfs/dbraw/zinc/68/96/53/648689653.db2.gz PENISRVSIZYNCO-UQPPLGOBSA-N 2 0 290.455 2.961 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n(C)n1 ZINC000927038409 648690390 /nfs/dbraw/zinc/69/03/90/648690390.db2.gz QJGVWVMTTCOKRD-HPUBIQBYSA-N 2 0 290.455 2.786 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@H]2OCCc3ccccc32)CC1 ZINC000927119571 648719618 /nfs/dbraw/zinc/71/96/18/648719618.db2.gz LJDPVJHKWLDCJI-SFHVURJKSA-N 2 0 288.435 2.764 20 0 CFADRP CCc1ncc(C[NH+]2CCC(C[NH+](CC)CC)CC2)o1 ZINC000929277181 649021225 /nfs/dbraw/zinc/02/12/25/649021225.db2.gz RGMKNLWMGRBWTA-UHFFFAOYSA-N 2 0 279.428 2.791 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](COC)C(C)C)CC1 ZINC000929277783 649021501 /nfs/dbraw/zinc/02/15/01/649021501.db2.gz UYHIOAJSVGGIGV-QGZVFWFLSA-N 2 0 284.488 2.959 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2[nH]c(C)nc2C)CC1 ZINC000929276097 649021876 /nfs/dbraw/zinc/02/18/76/649021876.db2.gz OLCDJLWWTUCLMZ-UHFFFAOYSA-N 2 0 278.444 2.580 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCSc2ccncc2)CC1 ZINC000929326915 649031348 /nfs/dbraw/zinc/03/13/48/649031348.db2.gz BBSMDWIZZJFHHN-UHFFFAOYSA-N 2 0 293.480 2.837 20 0 CFADRP Cc1nnsc1[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327107 649032264 /nfs/dbraw/zinc/03/22/64/649032264.db2.gz DTKRNTRIBAYSTP-GFCCVEGCSA-N 2 0 282.457 2.571 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000929328660 649032343 /nfs/dbraw/zinc/03/23/43/649032343.db2.gz ZLAHWHNELRNTDI-UHFFFAOYSA-N 2 0 275.440 2.862 20 0 CFADRP COC/C(C)=C/C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929505378 649062850 /nfs/dbraw/zinc/06/28/50/649062850.db2.gz ISLYCYVIHPADFK-GIDUJCDVSA-N 2 0 268.445 2.631 20 0 CFADRP c1cncc(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000929689914 649097904 /nfs/dbraw/zinc/09/79/04/649097904.db2.gz JABZOWVGRUXVIU-SFHVURJKSA-N 2 0 287.451 2.965 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929778493 649118999 /nfs/dbraw/zinc/11/89/99/649118999.db2.gz KGWATQJZTOFHFN-XQLPTFJDSA-N 2 0 286.410 2.941 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000930315489 649228905 /nfs/dbraw/zinc/22/89/05/649228905.db2.gz KQPZOVJGTQILTA-CQSZACIVSA-N 2 0 290.398 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930576999 649279396 /nfs/dbraw/zinc/27/93/96/649279396.db2.gz OSGOBLJGUIHZEG-IAGOWNOFSA-N 2 0 292.467 2.896 20 0 CFADRP Cc1cccc(OCCN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000931308412 649405324 /nfs/dbraw/zinc/40/53/24/649405324.db2.gz NOPROPJCQRSAPR-ROUUACIJSA-N 2 0 288.435 2.647 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000931356653 649414624 /nfs/dbraw/zinc/41/46/24/649414624.db2.gz MEYMJLYBACZNDE-CABCVRRESA-N 2 0 250.430 2.839 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000931428682 649424588 /nfs/dbraw/zinc/42/45/88/649424588.db2.gz YVAKRBQMRWLOJW-KGLIPLIRSA-N 2 0 264.800 2.724 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440175 649427456 /nfs/dbraw/zinc/42/74/56/649427456.db2.gz QNBSXSJXERYMLF-DZGCQCFKSA-N 2 0 276.449 2.792 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H](COC)C(C)C)CC1 ZINC000931470382 649436152 /nfs/dbraw/zinc/43/61/52/649436152.db2.gz DXDZGGZNVUIAJQ-OAHLLOKOSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)c1cccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931479788 649438787 /nfs/dbraw/zinc/43/87/87/649438787.db2.gz BPEHDRSMQQBSTG-UHFFFAOYSA-N 2 0 290.451 2.699 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000932275212 649573189 /nfs/dbraw/zinc/57/31/89/649573189.db2.gz NLQBBLFUSWOCIO-NJAFHUGGSA-N 2 0 290.451 2.567 20 0 CFADRP CSCC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000932591631 649625075 /nfs/dbraw/zinc/62/50/75/649625075.db2.gz PWGOQOOZNTYMMD-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP CCc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733027 649717831 /nfs/dbraw/zinc/71/78/31/649717831.db2.gz ZDGBRJXNRZAKGD-ZWKOTPCHSA-N 2 0 272.436 2.675 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCSCc3ccccc3)C[C@]2(C)C1 ZINC000933734028 649718426 /nfs/dbraw/zinc/71/84/26/649718426.db2.gz MXGKYHDYNXPTCW-SJORKVTESA-N 2 0 290.476 2.803 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCc4ccccc4C3)C[C@]2(C)C1 ZINC000933737211 649718532 /nfs/dbraw/zinc/71/85/32/649718532.db2.gz MRNWFYIPIVOLNG-IPELMVKDSA-N 2 0 284.447 2.675 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933917264 649731599 /nfs/dbraw/zinc/73/15/99/649731599.db2.gz IIHZMLOCTPAXLI-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP COc1c(C)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812231 770023893 /nfs/dbraw/zinc/02/38/93/770023893.db2.gz YJHVALGHNIHBEZ-UONOGXRCSA-N 2 0 262.397 2.563 20 0 CFADRP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1c[nH+]cn1C ZINC001277765426 777803826 /nfs/dbraw/zinc/80/38/26/777803826.db2.gz IIFPLJSLMIHBGY-HRCADAONSA-N 2 0 290.455 2.899 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235788272 778558464 /nfs/dbraw/zinc/55/84/64/778558464.db2.gz JRVWNZWZDLGBRO-MRXNPFEDSA-N 2 0 295.858 2.805 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1CCc1ccc(F)cc1Cl ZINC001235925071 778611608 /nfs/dbraw/zinc/61/16/08/778611608.db2.gz IIOIBSAPULIUKL-ZDUSSCGKSA-N 2 0 270.779 2.835 20 0 CFADRP COc1cc(C)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206768147 769874372 /nfs/dbraw/zinc/87/43/72/769874372.db2.gz HRULWQHKIJMQGY-UONOGXRCSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C)OCc1ccccc1 ZINC001206760983 769846297 /nfs/dbraw/zinc/84/62/97/769846297.db2.gz QOARHZXPOJMLNV-ZOBUZTSGSA-N 2 0 276.424 2.651 20 0 CFADRP COc1cc(C)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206768146 769874578 /nfs/dbraw/zinc/87/45/78/769874578.db2.gz HRULWQHKIJMQGY-KGLIPLIRSA-N 2 0 262.397 2.563 20 0 CFADRP CC[NH+]1CCC(C[NH+]2CCC(C(F)F)CC2)CC1 ZINC001208598844 769909542 /nfs/dbraw/zinc/90/95/42/769909542.db2.gz YYJUVSLBIKHUKG-UHFFFAOYSA-N 2 0 260.372 2.695 20 0 CFADRP CC/C=C\CCN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001208729374 769930064 /nfs/dbraw/zinc/93/00/64/769930064.db2.gz XGUWETKNUNPESY-FPLPWBNLSA-N 2 0 269.477 2.548 20 0 CFADRP C[C@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(F)(F)F ZINC001208906415 769960960 /nfs/dbraw/zinc/96/09/60/769960960.db2.gz WFZPQNJMVLKHRM-LLVKDONJSA-N 2 0 264.335 2.603 20 0 CFADRP CCOc1cc(C)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206811418 770014206 /nfs/dbraw/zinc/01/42/06/770014206.db2.gz UIGBKCBMRDWSBQ-GJZGRUSLSA-N 2 0 276.424 2.953 20 0 CFADRP Cc1cc(OC(C)C)ncc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812557 770022786 /nfs/dbraw/zinc/02/27/86/770022786.db2.gz ZPHHBVVKCXGLQH-GJZGRUSLSA-N 2 0 291.439 2.736 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001140052089 770101656 /nfs/dbraw/zinc/10/16/56/770101656.db2.gz FFMQVKCHEASZOB-UHFFFAOYSA-N 2 0 292.398 2.839 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2Cc2cnccc2N)c1 ZINC001209730301 770130913 /nfs/dbraw/zinc/13/09/13/770130913.db2.gz FZYSXQJNPYDXMS-QGZVFWFLSA-N 2 0 283.375 2.840 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)[C@@H]1CCC[NH3+] ZINC000720793252 770312006 /nfs/dbraw/zinc/31/20/06/770312006.db2.gz HVHVPZMQRVIGTC-UUAJXVIYSA-N 2 0 280.456 2.783 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723637899 770631950 /nfs/dbraw/zinc/63/19/50/770631950.db2.gz KTZRKJYXWYRPIE-DMRKSPOLSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000723655597 770640363 /nfs/dbraw/zinc/64/03/63/770640363.db2.gz QDVOSRPROSKOGM-OAHLLOKOSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723690977 770651016 /nfs/dbraw/zinc/65/10/16/770651016.db2.gz CVCYIQLGWVDZET-MNOVXSKESA-N 2 0 254.324 2.697 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2Br)C[C@H]1CC[NH3+] ZINC000723899574 770709304 /nfs/dbraw/zinc/70/93/04/770709304.db2.gz FJORLHAERNKWHC-VXGBXAGGSA-N 2 0 297.240 2.866 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1CC[NH3+] ZINC000723905358 770710338 /nfs/dbraw/zinc/71/03/38/770710338.db2.gz IBLJQJWQUPGDHZ-TZMCWYRMSA-N 2 0 258.365 2.850 20 0 CFADRP CCCCC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001266913685 770741358 /nfs/dbraw/zinc/74/13/58/770741358.db2.gz ONZHYFYMJDRENX-GPANFISMSA-N 2 0 297.487 2.534 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000690741658 770938555 /nfs/dbraw/zinc/93/85/55/770938555.db2.gz OLRVLLOZILZNOZ-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP c1ccc2c(c1)NC[C@H]1C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001224118374 775104739 /nfs/dbraw/zinc/10/47/39/775104739.db2.gz IOVJPSMYLHNPTB-VYDXJSESSA-N 2 0 285.435 2.517 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721541995 775142997 /nfs/dbraw/zinc/14/29/97/775142997.db2.gz PYKVLSMNSFVLGS-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721547794 775151498 /nfs/dbraw/zinc/15/14/98/775151498.db2.gz BQKYWWBKLSWZKD-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@H](O)c2ccccc2)CC1 ZINC000721365897 775187911 /nfs/dbraw/zinc/18/79/11/775187911.db2.gz GBLKQANPXQONJB-KRWDZBQOSA-N 2 0 276.424 2.574 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CO[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001224701539 775251706 /nfs/dbraw/zinc/25/17/06/775251706.db2.gz HIFNDQIAAYLTEQ-MSOLQXFVSA-N 2 0 288.435 2.762 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C1(Br)CC1 ZINC000926562897 775265684 /nfs/dbraw/zinc/26/56/84/775265684.db2.gz BTTZSJGHHQATIZ-LLVKDONJSA-N 2 0 289.261 2.766 20 0 CFADRP CCCC[NH+](CCCC)CCCO[C@@H](C)C1C[NH2+]C1 ZINC001217830591 775307198 /nfs/dbraw/zinc/30/71/98/775307198.db2.gz HCBWOLVRTKLWBA-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001207401962 775419390 /nfs/dbraw/zinc/41/93/90/775419390.db2.gz TZYXHKLBZHGMIL-HZPDHXFCSA-N 2 0 250.430 2.840 20 0 CFADRP Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000708821457 775469762 /nfs/dbraw/zinc/46/97/62/775469762.db2.gz DXBGELABMLNXBN-WCQYABFASA-N 2 0 252.789 2.675 20 0 CFADRP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708851997 775519281 /nfs/dbraw/zinc/51/92/81/775519281.db2.gz WIZMZSHZVPSHDI-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)([NH3+])c1ccccc1-n1nc(C[NH3+])c2ccccc21 ZINC001167700420 775533732 /nfs/dbraw/zinc/53/37/32/775533732.db2.gz HEPBVPWWSZKBLQ-UHFFFAOYSA-N 2 0 280.375 2.678 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000924596770 775672229 /nfs/dbraw/zinc/67/22/29/775672229.db2.gz BWFDENXNPGQSKF-QLPKVWCKSA-N 2 0 282.472 2.902 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC2(CC2)CC1 ZINC000695745037 775971363 /nfs/dbraw/zinc/97/13/63/775971363.db2.gz QHRSBLKYUDWQSK-BZUAXINKSA-N 2 0 262.441 2.935 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1cccc(C[NH+](C)C)n1 ZINC001167751102 776078590 /nfs/dbraw/zinc/07/85/90/776078590.db2.gz FZIQPWVQRNLDRW-HNNXBMFYSA-N 2 0 290.455 2.820 20 0 CFADRP Cc1c(N)cc[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001167751822 776082506 /nfs/dbraw/zinc/08/25/06/776082506.db2.gz PHLOHTCHHMSRBN-GFCCVEGCSA-N 2 0 262.401 2.649 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000695882445 776085788 /nfs/dbraw/zinc/08/57/88/776085788.db2.gz IZQNHYJZBOJMRX-CVEARBPZSA-N 2 0 278.440 2.912 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc2c(n1)NCCO2 ZINC001167753985 776089347 /nfs/dbraw/zinc/08/93/47/776089347.db2.gz NYAHEDUYKNAAGQ-ZDUSSCGKSA-N 2 0 290.411 2.562 20 0 CFADRP c1csc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000123911804 776124052 /nfs/dbraw/zinc/12/40/52/776124052.db2.gz QMWUMCMANSVNTL-UHFFFAOYSA-N 2 0 258.390 2.684 20 0 CFADRP [NH3+]CC1(F)CC[NH+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001222532384 776166573 /nfs/dbraw/zinc/16/65/73/776166573.db2.gz LFIFPVUJPXJVGM-UHFFFAOYSA-N 2 0 279.334 2.570 20 0 CFADRP Cc1cc2[nH+]ccn2cc1NCc1ccc(N)nc1C ZINC001167786432 776394309 /nfs/dbraw/zinc/39/43/09/776394309.db2.gz QLACUMPKFKBUJU-UHFFFAOYSA-N 2 0 267.336 2.540 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692871124 776467451 /nfs/dbraw/zinc/46/74/51/776467451.db2.gz FGFZLMYTJKURQS-LBPRGKRZSA-N 2 0 296.402 2.951 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722337490 776487708 /nfs/dbraw/zinc/48/77/08/776487708.db2.gz LWIAWEWAROSNJJ-XLNGHYISSA-N 2 0 280.456 2.844 20 0 CFADRP C[NH+](C)Cc1c(O[C@@H]2CC[N@H+](C)C2)ccc2ccccc21 ZINC001228439593 776491474 /nfs/dbraw/zinc/49/14/74/776491474.db2.gz PAWDSERLAHRAGY-OAHLLOKOSA-N 2 0 284.403 2.984 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC001167824699 776544134 /nfs/dbraw/zinc/54/41/34/776544134.db2.gz FMYDNQZWFNIARF-OAHLLOKOSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC001167826830 776547909 /nfs/dbraw/zinc/54/79/09/776547909.db2.gz RKZXQHZALBGZHS-HZPDHXFCSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001167827854 776555345 /nfs/dbraw/zinc/55/53/45/776555345.db2.gz YLBNRBSGQPHWNG-SJORKVTESA-N 2 0 281.488 2.667 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(CN(C)C)cs1 ZINC000722387430 776568152 /nfs/dbraw/zinc/56/81/52/776568152.db2.gz OYOITPDSIXYNLD-DGCLKSJQSA-N 2 0 267.442 2.873 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC001167833326 776569396 /nfs/dbraw/zinc/56/93/96/776569396.db2.gz AEIIUGYHWFDGFW-WBVHZDCISA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001167838148 776589178 /nfs/dbraw/zinc/58/91/78/776589178.db2.gz QQAZLMIQDPSFOS-UHDSXZAQSA-N 2 0 280.456 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C ZINC001167838088 776589445 /nfs/dbraw/zinc/58/94/45/776589445.db2.gz PNDMNIDEWGMCGQ-JYJNAYRXSA-N 2 0 298.471 2.770 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001167839538 776590622 /nfs/dbraw/zinc/59/06/22/776590622.db2.gz ZLPBMWGQNSFDTA-HOTGVXAUSA-N 2 0 298.471 2.772 20 0 CFADRP CCO[C@@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167839559 776592693 /nfs/dbraw/zinc/59/26/93/776592693.db2.gz ADSKPAPPDTVKER-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167840356 776597270 /nfs/dbraw/zinc/59/72/70/776597270.db2.gz FISRZRZIYLHSTG-OKZBNKHCSA-N 3 0 295.515 2.771 20 0 CFADRP CCC[NH+]1C[C@@H]2C[NH+]([C@H](C)CCC[NH+](CC)CC)C[C@H]2C1 ZINC001167840355 776598412 /nfs/dbraw/zinc/59/84/12/776598412.db2.gz FISRZRZIYLHSTG-KZNAEPCWSA-N 3 0 295.515 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(CSC2)C1 ZINC001167840698 776601230 /nfs/dbraw/zinc/60/12/30/776601230.db2.gz HQDVRLJYWLIJBY-ZDUSSCGKSA-N 2 0 256.459 2.546 20 0 CFADRP CCC[N@H+](CC(=O)OCC)[C@@H](C)CCC[NH+](CC)CC ZINC001167840982 776604677 /nfs/dbraw/zinc/60/46/77/776604677.db2.gz IZIDZSASUMJJDG-HNNXBMFYSA-N 2 0 286.460 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1ccno1 ZINC001167841839 776607928 /nfs/dbraw/zinc/60/79/28/776607928.db2.gz SEWXNAFSQSNCRL-CYBMUJFWSA-N 2 0 253.390 2.617 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCOC2=O)CC1 ZINC001167842056 776609604 /nfs/dbraw/zinc/60/96/04/776609604.db2.gz WMELAPHMGMGHLD-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP CC(C)[NH+]1CCC(Oc2ccc3c(c2)CC[N@@H+](C)C3)CC1 ZINC001228936065 776661954 /nfs/dbraw/zinc/66/19/54/776661954.db2.gz ABSNMJVTPINUHU-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228937271 776663428 /nfs/dbraw/zinc/66/34/28/776663428.db2.gz XSNBTZHCADQCSO-QGZVFWFLSA-N 2 0 274.408 2.536 20 0 CFADRP CC[NH+](CC)C[C@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228936716 776663814 /nfs/dbraw/zinc/66/38/14/776663814.db2.gz MIPBCOODOIBQMX-AWEZNQCLSA-N 2 0 276.424 2.784 20 0 CFADRP Cc1cc(-c2ccccc2)ncc1NC(=[NH2+])NCCCC[NH3+] ZINC001167884274 776717420 /nfs/dbraw/zinc/71/74/20/776717420.db2.gz UQBBVQFGWXLRTC-UHFFFAOYSA-N 2 0 297.406 2.732 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(Cl)s1 ZINC000722532184 776751285 /nfs/dbraw/zinc/75/12/85/776751285.db2.gz ZXMXXRAUDMQCMU-NXEZZACHSA-N 2 0 258.818 2.737 20 0 CFADRP C[NH+](C)Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167906096 776795113 /nfs/dbraw/zinc/79/51/13/776795113.db2.gz QQCXXYGHMRAAFH-FVQHAEBGSA-N 2 0 258.409 2.679 20 0 CFADRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167915400 776854203 /nfs/dbraw/zinc/85/42/03/776854203.db2.gz BNZNHRFVXRWFPN-SCAQPMJSSA-N 2 0 288.410 2.960 20 0 CFADRP CC[NH+]1CCC(Oc2ccc(F)cc2C[NH+](C)C)CC1 ZINC001229855110 776905223 /nfs/dbraw/zinc/90/52/23/776905223.db2.gz SKXSABRMVHNCCC-UHFFFAOYSA-N 2 0 280.387 2.750 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918034 776913242 /nfs/dbraw/zinc/91/32/42/776913242.db2.gz FHIVSGZAEDKVPL-FBPKSFCNSA-N 2 0 285.435 2.952 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918479 776916278 /nfs/dbraw/zinc/91/62/78/776916278.db2.gz UXGAAPGAMJOANZ-FBPKSFCNSA-N 2 0 285.435 2.952 20 0 CFADRP COC1CCC(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000894172952 776960635 /nfs/dbraw/zinc/96/06/35/776960635.db2.gz YXDUYYQHRUQBLO-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001204727913 776974396 /nfs/dbraw/zinc/97/43/96/776974396.db2.gz WBXCNQLETVJZCC-UHFFFAOYSA-N 2 0 276.424 2.986 20 0 CFADRP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCC4)C[C@H]2CC1 ZINC001277478985 777116041 /nfs/dbraw/zinc/11/60/41/777116041.db2.gz OXXKZGARYOUAOE-CALCHBBNSA-N 2 0 284.447 2.949 20 0 CFADRP CC[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2CN)C1 ZINC000721639081 777225031 /nfs/dbraw/zinc/22/50/31/777225031.db2.gz GORKQOJMLKGEOS-COXVUDFISA-N 2 0 258.409 2.951 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)cc3C)C[C@@H]2C1 ZINC001231484981 777235555 /nfs/dbraw/zinc/23/55/55/777235555.db2.gz BRTGXIPACDXSDD-HDICACEKSA-N 2 0 272.436 2.995 20 0 CFADRP FC(F)(F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958448 777273685 /nfs/dbraw/zinc/27/36/85/777273685.db2.gz DWFBSMRLAODEDI-YHWZYXNKSA-N 2 0 276.346 2.934 20 0 CFADRP C(CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960110 777293598 /nfs/dbraw/zinc/29/35/98/777293598.db2.gz WGRBSKLIPJJLMF-AYHJJNSGSA-N 2 0 292.467 2.798 20 0 CFADRP CCCC[NH+]1CCC(N(C)Cc2nc(C)ccc2O)CC1 ZINC001231677081 777307057 /nfs/dbraw/zinc/30/70/57/777307057.db2.gz MLDFFNFACHJDKN-UHFFFAOYSA-N 2 0 291.439 2.792 20 0 CFADRP OC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167965911 777409657 /nfs/dbraw/zinc/40/96/57/777409657.db2.gz PYMPHGFEPXOOQF-DYDDAFRHSA-N 2 0 292.467 2.533 20 0 CFADRP CC[NH+](CC)C1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014912 777412264 /nfs/dbraw/zinc/41/22/64/777412264.db2.gz XWUZGPSTOLEPLR-UHFFFAOYSA-N 2 0 286.423 2.869 20 0 CFADRP CCO[C@H]1CCC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232146768 777451027 /nfs/dbraw/zinc/45/10/27/777451027.db2.gz GWVWKDKULPMXAI-KRWDZBQOSA-N 2 0 294.414 2.888 20 0 CFADRP CO[C@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001232151457 777453717 /nfs/dbraw/zinc/45/37/17/777453717.db2.gz NWOXCUJOMKPFNJ-GUYCJALGSA-N 2 0 294.414 2.887 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3ccnc(C(C)(C)C)c3)C2)CC1 ZINC001232221035 777480601 /nfs/dbraw/zinc/48/06/01/777480601.db2.gz UNSPOGVHEYOXEI-UHFFFAOYSA-N 2 0 287.451 2.907 20 0 CFADRP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(N)cc[nH+]c2c1 ZINC001167994919 777526949 /nfs/dbraw/zinc/52/69/49/777526949.db2.gz SWYDQLXLMVNTDU-UHFFFAOYSA-N 2 0 295.321 2.988 20 0 CFADRP COCC[N@H+](C(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995753 777532143 /nfs/dbraw/zinc/53/21/43/777532143.db2.gz PTLXJBQCLOPXLS-SJPCQFCGSA-N 2 0 280.456 2.749 20 0 CFADRP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]2C1 ZINC001232913896 777720324 /nfs/dbraw/zinc/72/03/24/777720324.db2.gz YFHGKJSQGPMIPP-ROUUACIJSA-N 2 0 295.430 2.861 20 0 CFADRP CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000328451311 777735661 /nfs/dbraw/zinc/73/56/61/777735661.db2.gz DEGFKRRUIURENR-ROUUACIJSA-N 2 0 287.451 2.507 20 0 CFADRP Cc1c[nH]c(=O)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001233193341 777822654 /nfs/dbraw/zinc/82/26/54/777822654.db2.gz XWKQZVDCIDPHTD-UHFFFAOYSA-N 2 0 291.439 2.648 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C2CC(OC(C)(C)C)C2)C1 ZINC000341629657 777880918 /nfs/dbraw/zinc/88/09/18/777880918.db2.gz SVBFABGKPBMFAI-FHERZECASA-N 2 0 282.472 2.996 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168092863 778025277 /nfs/dbraw/zinc/02/52/77/778025277.db2.gz JNZCCCRIMFFUKQ-GOEBONIOSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCO1 ZINC001168094081 778030306 /nfs/dbraw/zinc/03/03/06/778030306.db2.gz RQOASJSUQZBWLZ-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCO1 ZINC001168094910 778031467 /nfs/dbraw/zinc/03/14/67/778031467.db2.gz XWRLIOHCCLASJZ-XJKSGUPXSA-N 2 0 292.398 2.643 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168104437 778048549 /nfs/dbraw/zinc/04/85/49/778048549.db2.gz UPVPDOHXAJOKNW-JONQDZQNSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CCO1 ZINC001168129501 778122063 /nfs/dbraw/zinc/12/20/63/778122063.db2.gz YLAXXSVKVSQSCY-YOEHRIQHSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC001168144275 778155440 /nfs/dbraw/zinc/15/54/40/778155440.db2.gz VETAICNSYZCQTN-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@]2(C)CCOc3ccccc32)CC1 ZINC000897385364 778171861 /nfs/dbraw/zinc/17/18/61/778171861.db2.gz IVYDUJPTGACWKW-KRWDZBQOSA-N 2 0 274.408 2.616 20 0 CFADRP C[NH+](C)[C@H]1CC[C@H](Oc2cccc3c2CC[N@H+](C)C3)CC1 ZINC001234421231 778221316 /nfs/dbraw/zinc/22/13/16/778221316.db2.gz BSDQBQMAYDNKGL-WKILWMFISA-N 2 0 288.435 2.926 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001168245464 778269945 /nfs/dbraw/zinc/26/99/45/778269945.db2.gz ZPKMJRBHMUAEOH-BRWVUGGUSA-N 2 0 288.435 2.625 20 0 CFADRP Cc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234969663 778342827 /nfs/dbraw/zinc/34/28/27/778342827.db2.gz BHPGGUSKUSXWSB-VQIMIIECSA-N 2 0 296.414 2.568 20 0 CFADRP [NH3+]CC12CC(C1)C[N@@H+]2CCCCCc1ccccc1 ZINC001235006687 778352011 /nfs/dbraw/zinc/35/20/11/778352011.db2.gz GFJKZYVWFUPBTF-UHFFFAOYSA-N 2 0 258.409 2.823 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235033528 778360065 /nfs/dbraw/zinc/36/00/65/778360065.db2.gz XSVWLZRROPSMOC-OAHLLOKOSA-N 2 0 298.352 2.933 20 0 CFADRP C[C@H](CC[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001235035674 778362542 /nfs/dbraw/zinc/36/25/42/778362542.db2.gz GXPPXJWIBJIYRL-BZUAXINKSA-N 2 0 282.472 2.759 20 0 CFADRP CNc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1 ZINC001235039075 778363386 /nfs/dbraw/zinc/36/33/86/778363386.db2.gz MVRLSEQZDQOTMJ-QGZVFWFLSA-N 2 0 273.424 2.836 20 0 CFADRP Nc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1F ZINC001235155751 778398906 /nfs/dbraw/zinc/39/89/06/778398906.db2.gz MRLYFRDHOMSZLY-QGZVFWFLSA-N 2 0 291.414 2.762 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2ccc(Cl)cc2)CC1 ZINC001168294915 778411065 /nfs/dbraw/zinc/41/10/65/778411065.db2.gz GQSURJWDFQEVLE-UHFFFAOYSA-N 2 0 294.826 2.985 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001168298495 778411427 /nfs/dbraw/zinc/41/14/27/778411427.db2.gz XKEBRQJERMUVQN-HDWXEKECSA-N 3 0 295.515 2.993 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](CO)CC2CCCCC2)CC1 ZINC001168298343 778411441 /nfs/dbraw/zinc/41/14/41/778411441.db2.gz NYHUWOZGCCRNCS-CGZBRXJRSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCCc2ccccn2)CC1 ZINC001168298404 778411858 /nfs/dbraw/zinc/41/18/58/778411858.db2.gz RMLGCLXXWXXCFB-UHFFFAOYSA-N 2 0 275.440 2.867 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CC1 ZINC001168298496 778412346 /nfs/dbraw/zinc/41/23/46/778412346.db2.gz XKEBRQJERMUVQN-OQGULXLBSA-N 3 0 295.515 2.993 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3CCC[C@@H]3C1)CC[NH2+]C2 ZINC001235223912 778420364 /nfs/dbraw/zinc/42/03/64/778420364.db2.gz GJWASBHBHXESEF-CRAIPNDOSA-N 2 0 270.420 2.954 20 0 CFADRP CCc1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235224475 778420600 /nfs/dbraw/zinc/42/06/00/778420600.db2.gz MGJDNLCXUFNZNV-GJZGRUSLSA-N 2 0 298.352 2.833 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235229075 778422653 /nfs/dbraw/zinc/42/26/53/778422653.db2.gz NVJMPQQWEYKCMJ-OAHLLOKOSA-N 2 0 277.387 2.575 20 0 CFADRP C1=CO[C@@H](C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235231238 778422780 /nfs/dbraw/zinc/42/27/80/778422780.db2.gz DPBACAHGMHZXHD-HZPDHXFCSA-N 2 0 264.413 2.533 20 0 CFADRP Oc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235230534 778423155 /nfs/dbraw/zinc/42/31/55/778423155.db2.gz OJMZHUWPSXGMPI-KRWDZBQOSA-N 2 0 274.408 2.746 20 0 CFADRP c1cc(CCC[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccn1 ZINC001235233457 778423695 /nfs/dbraw/zinc/42/36/95/778423695.db2.gz QQCJZHOXHSONLS-SFHVURJKSA-N 2 0 287.451 2.868 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2(c3ccc(F)cn3)CC2)CC1 ZINC001168312329 778423998 /nfs/dbraw/zinc/42/39/98/778423998.db2.gz QBAXDPYYSBRQEV-UHFFFAOYSA-N 2 0 291.414 2.715 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C)Cc2cnc3ccccn23)CC1 ZINC001168313774 778424048 /nfs/dbraw/zinc/42/40/48/778424048.db2.gz GWJYHAAPSTWDGV-UHFFFAOYSA-N 2 0 286.423 2.639 20 0 CFADRP Fc1ncccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232278 778424304 /nfs/dbraw/zinc/42/43/04/778424304.db2.gz XJNLLTFCEPMPIG-HNNXBMFYSA-N 2 0 277.387 2.575 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCc3ccccc3O2)CC1 ZINC001168312491 778424325 /nfs/dbraw/zinc/42/43/25/778424325.db2.gz ZTGAAHFVHJBKKM-OFLPRAFFSA-N 2 0 288.435 2.843 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3nccnc23)CC1 ZINC001168312458 778424397 /nfs/dbraw/zinc/42/43/97/778424397.db2.gz XUGUJSBRZQQCQJ-UHFFFAOYSA-N 2 0 284.407 2.592 20 0 CFADRP c1nc2ccccn2c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234481 778425158 /nfs/dbraw/zinc/42/51/58/778425158.db2.gz YTTUVDCDVMROPA-KRWDZBQOSA-N 2 0 298.434 2.688 20 0 CFADRP C[NH+](C)C1CCC([NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC001168314507 778425823 /nfs/dbraw/zinc/42/58/23/778425823.db2.gz MCBKAYOIZFXTQY-FXQLRMTLSA-N 2 0 250.430 2.981 20 0 CFADRP Cc1cnc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235237814 778426554 /nfs/dbraw/zinc/42/65/54/778426554.db2.gz MRFGRQQTADGLHE-INIZCTEOSA-N 2 0 291.414 2.883 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001168315880 778426764 /nfs/dbraw/zinc/42/67/64/778426764.db2.gz PNBSRZMBMHLJQU-VMBOVVBDSA-N 2 0 273.424 2.921 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001168315872 778426917 /nfs/dbraw/zinc/42/69/17/778426917.db2.gz PGVFJNPYAXGYPB-WXRRBKDZSA-N 2 0 278.362 2.928 20 0 CFADRP Cn1ncc2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)cc21 ZINC001168315901 778426994 /nfs/dbraw/zinc/42/69/94/778426994.db2.gz QGOAOTONCLGEEY-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP CCc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)nc1 ZINC001235239598 778427666 /nfs/dbraw/zinc/42/76/66/778427666.db2.gz KNUIXPIAIMGDIQ-SFHVURJKSA-N 2 0 287.451 2.998 20 0 CFADRP c1cc2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)ccn2n1 ZINC001235240075 778427974 /nfs/dbraw/zinc/42/79/74/778427974.db2.gz VMVJVKDUKIWXEI-GOSISDBHSA-N 2 0 298.434 2.688 20 0 CFADRP Oc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1F ZINC001235239123 778428310 /nfs/dbraw/zinc/42/83/10/778428310.db2.gz ULJDUNWUKSYCKJ-INIZCTEOSA-N 2 0 292.398 2.885 20 0 CFADRP CC[N@H+](Cc1cccnc1)C1CCC([NH+](C)C)CC1 ZINC001168324701 778431840 /nfs/dbraw/zinc/43/18/40/778431840.db2.gz VNVJMFYMCUAUCO-UHFFFAOYSA-N 2 0 261.413 2.776 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249607 778431576 /nfs/dbraw/zinc/43/15/76/778431576.db2.gz TWEKYGZAPQYVQV-VDHUWJSZSA-N 2 0 270.420 2.864 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001168324481 778432154 /nfs/dbraw/zinc/43/21/54/778432154.db2.gz POMKUQDVCMGESL-QQFBHYJXSA-N 2 0 273.424 2.744 20 0 CFADRP c1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc2c1CCC2 ZINC001235334822 778458088 /nfs/dbraw/zinc/45/80/88/778458088.db2.gz HOLASDBLLPSFKC-UHFFFAOYSA-N 2 0 270.420 2.607 20 0 CFADRP c1ccc(CCCC[NH+]2CCC(C3C[NH2+]C3)CC2)cc1 ZINC001235335031 778458178 /nfs/dbraw/zinc/45/81/78/778458178.db2.gz KNQCNJRUPZIMBE-UHFFFAOYSA-N 2 0 272.436 2.941 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)C1(C)C ZINC001235338006 778459040 /nfs/dbraw/zinc/45/90/40/778459040.db2.gz NNKOPCZBCQSTIJ-GDBMZVCRSA-N 2 0 262.441 2.910 20 0 CFADRP C[C@@H](CCCC(C)(C)O)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168357475 778459823 /nfs/dbraw/zinc/45/98/23/778459823.db2.gz BDTSJWPDDHOMAF-AWEZNQCLSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339716 778460225 /nfs/dbraw/zinc/46/02/25/778460225.db2.gz YROUMMUYWHWGHY-CABCVRRESA-N 2 0 250.430 2.910 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(C)c1Cl ZINC001235340152 778460278 /nfs/dbraw/zinc/46/02/78/778460278.db2.gz ICNVLSNOEXNGKO-CQSZACIVSA-N 2 0 278.827 2.998 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341566 778460601 /nfs/dbraw/zinc/46/06/01/778460601.db2.gz QNUCIHWZVSWWRR-KRWDZBQOSA-N 2 0 270.420 2.995 20 0 CFADRP CN(Cc1cccc(-c2ccccn2)c1)[C@H]1CCC[NH2+]C1 ZINC001235347459 778463695 /nfs/dbraw/zinc/46/36/95/778463695.db2.gz ORCCQDIRTORSCI-KRWDZBQOSA-N 2 0 281.403 2.932 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C)[C@@H]3CCC[NH2+]C3)cc21 ZINC001235348254 778464707 /nfs/dbraw/zinc/46/47/07/778464707.db2.gz WJHWFDATSIWBJA-QGZVFWFLSA-N 2 0 299.462 2.872 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C)[C@H]3CCC[NH2+]C3)cc21 ZINC001235348252 778465378 /nfs/dbraw/zinc/46/53/78/778465378.db2.gz WJHWFDATSIWBJA-KRWDZBQOSA-N 2 0 299.462 2.872 20 0 CFADRP [NH3+]CC[C@H]1CN(C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC001168358327 778465987 /nfs/dbraw/zinc/46/59/87/778465987.db2.gz RVUQUMFVPXEQNW-INIZCTEOSA-N 2 0 299.462 2.813 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1C ZINC001235410495 778481089 /nfs/dbraw/zinc/48/10/89/778481089.db2.gz YFURJWKEIMFWTH-SJORKVTESA-N 2 0 276.399 2.827 20 0 CFADRP Cc1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422848 778485253 /nfs/dbraw/zinc/48/52/53/778485253.db2.gz DPWONSYGTPPIBN-JKSUJKDBSA-N 2 0 288.435 2.912 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424815 778486417 /nfs/dbraw/zinc/48/64/17/778486417.db2.gz JXZZILOCIJWFJZ-FLXSYLCISA-N 2 0 274.452 2.910 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CCN2 ZINC001235430177 778486458 /nfs/dbraw/zinc/48/64/58/778486458.db2.gz GNGXNHLFTJVOBR-MSOLQXFVSA-N 2 0 299.462 2.866 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CCN2 ZINC001235430181 778486877 /nfs/dbraw/zinc/48/68/77/778486877.db2.gz GNGXNHLFTJVOBR-ZWKOTPCHSA-N 2 0 299.462 2.866 20 0 CFADRP CCOc1cc(F)c(C[N@H+](C)CC2CC[NH2+]CC2)c(F)c1 ZINC001235434051 778488163 /nfs/dbraw/zinc/48/81/63/778488163.db2.gz ZKDKHALEFUZSSF-UHFFFAOYSA-N 2 0 298.377 2.795 20 0 CFADRP CCOc1cc(C)ccc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001235431826 778488668 /nfs/dbraw/zinc/48/86/68/778488668.db2.gz DGCPDEYECQPOHR-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@H+](CCC[NH3+])CCc1c(Cl)cccc1Cl ZINC001235435805 778490582 /nfs/dbraw/zinc/49/05/82/778490582.db2.gz ZJJDFTFPQIGNPC-UHFFFAOYSA-N 2 0 261.196 2.817 20 0 CFADRP COc1cccc(C[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001235664788 778530720 /nfs/dbraw/zinc/53/07/20/778530720.db2.gz VZLMXUCDJXXGJV-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP Cc1ccccc1O[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001235676111 778532397 /nfs/dbraw/zinc/53/23/97/778532397.db2.gz WOLABJLRNPQZQQ-DLBZAZTESA-N 2 0 288.435 2.980 20 0 CFADRP CCOc1ccc(C)c(C[NH+]2CCC(C[NH2+]C)CC2)c1 ZINC001235680788 778533644 /nfs/dbraw/zinc/53/36/44/778533644.db2.gz XMCNXOQUVDGOQD-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH2+]CC1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC001235679731 778534231 /nfs/dbraw/zinc/53/42/31/778534231.db2.gz WOAVAFWSJVGORN-UHFFFAOYSA-N 2 0 284.806 2.953 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@H]1C ZINC001235695092 778540715 /nfs/dbraw/zinc/54/07/15/778540715.db2.gz OPEHTVGZGGYBIE-HOTGVXAUSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H](C[N@H+](C)CCC1CC[NH2+]CC1)OCc1ccccc1 ZINC001235712797 778544640 /nfs/dbraw/zinc/54/46/40/778544640.db2.gz CJSCTWOKTQMOFR-INIZCTEOSA-N 2 0 290.451 2.913 20 0 CFADRP CNc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235717992 778546656 /nfs/dbraw/zinc/54/66/56/778546656.db2.gz RFMXEQUMIKFGQQ-UHFFFAOYSA-N 2 0 261.413 2.550 20 0 CFADRP [NH3+]Cc1cc2ccncc2n1C1CC[NH+](CC2CC2)CC1 ZINC001168366333 778559522 /nfs/dbraw/zinc/55/95/22/778559522.db2.gz ORWKIJUUDVCREQ-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP CCOc1ccc([C@H]2CCC[N@@H+]2CCCC[NH3+])cc1 ZINC001235840427 778575891 /nfs/dbraw/zinc/57/58/91/778575891.db2.gz LQXWSSYPGBDZMF-MRXNPFEDSA-N 2 0 262.397 2.961 20 0 CFADRP COc1ccccc1CC[N@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235842922 778577327 /nfs/dbraw/zinc/57/73/27/778577327.db2.gz UFXYKXMIPZTJRF-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884168 778590515 /nfs/dbraw/zinc/59/05/15/778590515.db2.gz XDNYKWQWBJURHP-RKTXRCNFSA-N 2 0 260.425 2.663 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC3CCC1CC3)CC[NH2+]C2 ZINC001235887081 778591418 /nfs/dbraw/zinc/59/14/18/778591418.db2.gz GVXPEHSPBMLTAS-UHFFFAOYSA-N 2 0 256.393 2.707 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC001235893417 778593558 /nfs/dbraw/zinc/59/35/58/778593558.db2.gz OZWRNOXMTRTANV-FUHWJXTLSA-N 2 0 299.462 2.861 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235929037 778612395 /nfs/dbraw/zinc/61/23/95/778612395.db2.gz GFKBASGUUXZJGL-DLBZAZTESA-N 2 0 288.435 2.907 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235928555 778612522 /nfs/dbraw/zinc/61/25/22/778612522.db2.gz ALPYICJCAICRPB-HRCADAONSA-N 2 0 250.430 2.910 20 0 CFADRP FC(F)(F)c1cccc(CC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235929294 778613427 /nfs/dbraw/zinc/61/34/27/778613427.db2.gz KTIDNRFVSNQMBI-ZIAGYGMSSA-N 2 0 298.352 2.789 20 0 CFADRP c1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)ccc2c1 ZINC001235930957 778613786 /nfs/dbraw/zinc/61/37/86/778613786.db2.gz YQTCZBSGQWEGAM-ROUUACIJSA-N 2 0 266.388 2.881 20 0 CFADRP c1ccc(CCCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929420 778613954 /nfs/dbraw/zinc/61/39/54/778613954.db2.gz OMNIBRAHHHIDGT-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)c1Cl ZINC001235935004 778616615 /nfs/dbraw/zinc/61/66/15/778616615.db2.gz CFALTOPGCCLPTJ-CABCVRRESA-N 2 0 278.827 2.998 20 0 CFADRP CSc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235937375 778618373 /nfs/dbraw/zinc/61/83/73/778618373.db2.gz PTHSTZIKHZJUJP-GJZGRUSLSA-N 2 0 276.449 2.758 20 0 CFADRP CCCc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)s1 ZINC001235940309 778619187 /nfs/dbraw/zinc/61/91/87/778619187.db2.gz SFQQFGBKPAHDGG-CHWSQXEVSA-N 2 0 264.438 2.742 20 0 CFADRP Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235942062 778619203 /nfs/dbraw/zinc/61/92/03/778619203.db2.gz XWTQYFLLDJUTFK-KGLIPLIRSA-N 2 0 264.800 2.690 20 0 CFADRP CCc1cccc(C)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235941819 778619654 /nfs/dbraw/zinc/61/96/54/778619654.db2.gz XCFSBFQMQRAXPU-HZPDHXFCSA-N 2 0 258.409 2.599 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235942850 778620200 /nfs/dbraw/zinc/62/02/00/778620200.db2.gz YGLHTXAWTLERCT-KBPBESRZSA-N 2 0 278.827 2.998 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001235950146 778623937 /nfs/dbraw/zinc/62/39/37/778623937.db2.gz RNNNVKDUPRUCTJ-ZDUSSCGKSA-N 2 0 252.789 2.868 20 0 CFADRP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc(C)c1F ZINC001235956980 778627342 /nfs/dbraw/zinc/62/73/42/778627342.db2.gz JANCKVDIMULYQK-AWEZNQCLSA-N 2 0 264.388 2.874 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001235958238 778627490 /nfs/dbraw/zinc/62/74/90/778627490.db2.gz AYXDTTIULITBRX-AGGWBTHJSA-N 2 0 298.352 2.917 20 0 CFADRP CSc1cc(C)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959067 778628765 /nfs/dbraw/zinc/62/87/65/778628765.db2.gz RDYLATUOSVYDBN-MIFYACCESA-N 2 0 276.449 2.886 20 0 CFADRP [NH3+]CCCC[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001235962270 778630963 /nfs/dbraw/zinc/63/09/63/778630963.db2.gz KMAJGISSPLIFOS-UHFFFAOYSA-N 2 0 261.413 2.955 20 0 CFADRP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235963952 778631972 /nfs/dbraw/zinc/63/19/72/778631972.db2.gz YUXZFQGKJICMFW-NRKLIOEPSA-N 2 0 280.456 2.715 20 0 CFADRP CCCC[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235971809 778634359 /nfs/dbraw/zinc/63/43/59/778634359.db2.gz AUQTVQCTBVQZNH-UHFFFAOYSA-N 2 0 258.409 2.924 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236007900 778651767 /nfs/dbraw/zinc/65/17/67/778651767.db2.gz FFRPPIUZILWEQZ-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP [NH3+]CCCC[NH+]1CCC2(CC1)OCc1ccc(Cl)cc12 ZINC001236064916 778678697 /nfs/dbraw/zinc/67/86/97/778678697.db2.gz VKWBBPQVUHAWKW-UHFFFAOYSA-N 2 0 294.826 2.900 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)s1 ZINC001236066380 778679673 /nfs/dbraw/zinc/67/96/73/778679673.db2.gz IGXHXFPZGXPSIM-LBPRGKRZSA-N 2 0 252.427 2.742 20 0 CFADRP Fc1ccc(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC001236081034 778683866 /nfs/dbraw/zinc/68/38/66/778683866.db2.gz LMWXWPVAYNEIMC-AWEZNQCLSA-N 2 0 294.389 2.829 20 0 CFADRP COc1ccc(C[C@@H]2CCC[N@H+](CCCC[NH3+])C2)cc1 ZINC001236093957 778688621 /nfs/dbraw/zinc/68/86/21/778688621.db2.gz ZBFOTEOPRYQVHR-INIZCTEOSA-N 2 0 276.424 2.689 20 0 CFADRP CC(C)(O)C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC001236111041 778698607 /nfs/dbraw/zinc/69/86/07/778698607.db2.gz HGSCICMMSBTGBQ-KRWDZBQOSA-N 2 0 290.451 2.792 20 0 CFADRP C[C@@H](CC[NH+]1CCC(N2CC[NH2+]CC2)CC1)CC(C)(C)C ZINC001236131024 778706222 /nfs/dbraw/zinc/70/62/22/778706222.db2.gz ZWBUCVLZRQRWJB-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP CCN(CC[NH2+]C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001236144218 778715928 /nfs/dbraw/zinc/71/59/28/778715928.db2.gz OSPMMWZHJCAQCH-SFHVURJKSA-N 2 0 289.467 2.582 20 0 CFADRP Cc1cc(F)ccc1N1CC[NH+](CCCCCC[NH3+])CC1 ZINC001236152397 778719446 /nfs/dbraw/zinc/71/94/46/778719446.db2.gz CTFJDRQIMJONCY-UHFFFAOYSA-N 2 0 293.430 2.775 20 0 CFADRP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001236191009 778731719 /nfs/dbraw/zinc/73/17/19/778731719.db2.gz IZKSMUUVIKXKEM-KDOFPFPSSA-N 2 0 299.418 2.683 20 0 CFADRP c1[nH]c2ccccc2c1[C@H]1CCC[N@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001236191013 778731972 /nfs/dbraw/zinc/73/19/72/778731972.db2.gz IZKSMUUVIKXKEM-RDTXWAMCSA-N 2 0 299.418 2.683 20 0 CFADRP CC[NH+]1CCC(CC2CC[NH+](CCCC[NH3+])CC2)CC1 ZINC001236195417 778731995 /nfs/dbraw/zinc/73/19/95/778731995.db2.gz RXDNTSYHNRRQAL-UHFFFAOYSA-N 3 0 281.488 2.559 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](OCC)C2)C1 ZINC000721241270 778741133 /nfs/dbraw/zinc/74/11/33/778741133.db2.gz VURYDJMOCGHVGX-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCCN2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224743 778746184 /nfs/dbraw/zinc/74/61/84/778746184.db2.gz VZWFLEAPPXGXEV-WKILWMFISA-N 2 0 273.424 2.746 20 0 CFADRP CC[N@H+](Cc1ccc2n1CC[NH2+]C2)Cc1ccc(C)cc1 ZINC001236243029 778751636 /nfs/dbraw/zinc/75/16/36/778751636.db2.gz ASVOQUHELOAHDX-UHFFFAOYSA-N 2 0 283.419 2.922 20 0 CFADRP CCN(CC[NH+]1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168387636 778767717 /nfs/dbraw/zinc/76/77/17/778767717.db2.gz MZNUEBYVWYMYRO-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP COc1ccccc1CCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314503 778773976 /nfs/dbraw/zinc/77/39/76/778773976.db2.gz PGRKMQHVYXQATO-CALCHBBNSA-N 2 0 288.435 2.559 20 0 CFADRP Fc1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236314452 778774182 /nfs/dbraw/zinc/77/41/82/778774182.db2.gz NBYCRZLSTVFXGM-OKILXGFUSA-N 2 0 296.817 2.953 20 0 CFADRP c1cc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2o1 ZINC001236316139 778775128 /nfs/dbraw/zinc/77/51/28/778775128.db2.gz PEIKIIXYHLOSCB-IYBDPMFKSA-N 2 0 270.376 2.864 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1F ZINC001236315552 778775570 /nfs/dbraw/zinc/77/55/70/778775570.db2.gz LAZZTULGRMSCHZ-BETUJISGSA-N 2 0 280.362 2.705 20 0 CFADRP c1cc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2o1 ZINC001236320083 778777321 /nfs/dbraw/zinc/77/73/21/778777321.db2.gz BEBLBVPWXFCIPB-GASCZTMLSA-N 2 0 270.376 2.864 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC001236322517 778778796 /nfs/dbraw/zinc/77/87/96/778778796.db2.gz NGVWROLZDUGWAG-UHFFFAOYSA-N 2 0 299.462 2.862 20 0 CFADRP c1nc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2s1 ZINC001236321821 778779645 /nfs/dbraw/zinc/77/96/45/778779645.db2.gz MNUDHJSWZMYTNB-OKILXGFUSA-N 2 0 287.432 2.728 20 0 CFADRP [NH3+]CCCCCN(Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC001236356284 778790546 /nfs/dbraw/zinc/79/05/46/778790546.db2.gz OYEBWMDDQYVDGX-INIZCTEOSA-N 2 0 293.430 2.509 20 0 CFADRP C[C@@H]1C[C@H]1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374367 778796108 /nfs/dbraw/zinc/79/61/08/778796108.db2.gz PWHMSKJUZCSCLL-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)CCCCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001224991827 778800316 /nfs/dbraw/zinc/80/03/16/778800316.db2.gz BTEHCYFMTSCGIZ-QGZVFWFLSA-N 2 0 276.424 2.619 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400376 778800601 /nfs/dbraw/zinc/80/06/01/778800601.db2.gz NHGXKVYDUOBLFX-SUMWQHHRSA-N 2 0 276.399 2.614 20 0 CFADRP C[NH+](C)Cc1cccc(-c2nccc(C3CC[NH2+]CC3)n2)c1 ZINC001236415826 778809615 /nfs/dbraw/zinc/80/96/15/778809615.db2.gz INENSUCDEZJKLK-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccc3[nH+]c(N)[nH]c3c2)c1 ZINC001236422676 778817022 /nfs/dbraw/zinc/81/70/22/778817022.db2.gz HOPCNDPBBHQKQD-UHFFFAOYSA-N 2 0 266.348 2.874 20 0 CFADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168405416 778850465 /nfs/dbraw/zinc/85/04/65/778850465.db2.gz RTKJPTVZENRMFI-IAGOWNOFSA-N 2 0 276.399 2.755 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236534548 778868700 /nfs/dbraw/zinc/86/87/00/778868700.db2.gz WQJYWNFZLAZKMV-WKILWMFISA-N 3 0 293.430 2.507 20 0 CFADRP Cc1cccnc1O[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC001236537042 778869538 /nfs/dbraw/zinc/86/95/38/778869538.db2.gz TZSIXTSCHNBZDM-INIZCTEOSA-N 2 0 291.439 2.752 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCCO)CC2CCC2)CC1 ZINC001236539809 778870368 /nfs/dbraw/zinc/87/03/68/778870368.db2.gz BEDSBWGMWKQQBU-WKILWMFISA-N 2 0 268.445 2.521 20 0 CFADRP CC(C)C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550532 778875575 /nfs/dbraw/zinc/87/55/75/778875575.db2.gz JXHCUHHWSHDYEM-QAQDUYKDSA-N 3 0 281.488 2.604 20 0 CFADRP Cc1ccccc1C[N@H+](CCCC[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555807 778875914 /nfs/dbraw/zinc/87/59/14/778875914.db2.gz OCZQRVYYCABYDT-IYARVYRRSA-N 3 0 289.467 2.806 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001236567379 778877455 /nfs/dbraw/zinc/87/74/55/778877455.db2.gz UNVOVCBBZIZFAE-ZOBUZTSGSA-N 3 0 279.472 2.501 20 0 CFADRP c1ccc2c(c1)CC(C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001236584644 778885575 /nfs/dbraw/zinc/88/55/75/778885575.db2.gz MYXMMYXAZWJUQH-OAHLLOKOSA-N 2 0 284.447 2.865 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3cncc(O)c3)c2)CC1 ZINC001236584942 778887494 /nfs/dbraw/zinc/88/74/94/778887494.db2.gz GBAIGJLTWBCGGX-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP CNc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236602515 778891474 /nfs/dbraw/zinc/89/14/74/778891474.db2.gz WQNPMRSZEWHBIB-HNNXBMFYSA-N 2 0 273.424 2.692 20 0 CFADRP c1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc2c1CCN2 ZINC001236606416 778893357 /nfs/dbraw/zinc/89/33/57/778893357.db2.gz UUYXZARWTCGQAQ-OAHLLOKOSA-N 2 0 285.435 2.619 20 0 CFADRP CC[C@@H]([NH3+])C[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236725704 778921818 /nfs/dbraw/zinc/92/18/18/778921818.db2.gz CCICITZOYXIKHL-KZNAEPCWSA-N 3 0 289.467 2.804 20 0 CFADRP CCNCC[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236756395 778929305 /nfs/dbraw/zinc/92/93/05/778929305.db2.gz VRXLDVUIGPAFOD-QAQDUYKDSA-N 2 0 281.488 2.748 20 0 CFADRP CCCOc1cc(F)ccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236826349 778955286 /nfs/dbraw/zinc/95/52/86/778955286.db2.gz BWVDBJVJSBEWQO-MAZHCROVSA-N 2 0 292.398 2.784 20 0 CFADRP CCC[N@H+](CCc1cc(F)cc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236826677 778955383 /nfs/dbraw/zinc/95/53/83/778955383.db2.gz CTBVUPBITQMSIJ-CQSZACIVSA-N 2 0 282.378 2.829 20 0 CFADRP C[NH+]1CCN(c2cccc(C[NH+]3C[C@@H]4CCC[C@H]4C3)c2)CC1 ZINC001236888888 778973541 /nfs/dbraw/zinc/97/35/41/778973541.db2.gz SVRAGEMEDNMTRB-ROUUACIJSA-N 2 0 299.462 2.670 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236888974 778974079 /nfs/dbraw/zinc/97/40/79/778974079.db2.gz UEGZSRJYOHSXOV-INIZCTEOSA-N 2 0 287.451 2.813 20 0 CFADRP C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)C(C)(C)C ZINC001236897637 778977914 /nfs/dbraw/zinc/97/79/14/778977914.db2.gz FOAGVHLPTQVCLW-UHFFFAOYSA-N 2 0 275.440 2.669 20 0 CFADRP COCC[N@H+](C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236903043 778978571 /nfs/dbraw/zinc/97/85/71/778978571.db2.gz LGAPIJWXDLHGBC-UHFFFAOYSA-N 2 0 279.771 2.604 20 0 CFADRP CC1=C[C@H](C)[C@H](CN(CC[NH+](C)C)C2CC[NH2+]CC2)CC1 ZINC001236911719 778981536 /nfs/dbraw/zinc/98/15/36/778981536.db2.gz FRAJRSIZHUXGFP-IRXDYDNUSA-N 2 0 293.499 2.594 20 0 CFADRP C[N@H+]1C[C@H]2CN(Cc3cc(O)cc4ccccc43)C[C@H]2C1 ZINC001237074098 779005531 /nfs/dbraw/zinc/00/55/31/779005531.db2.gz NNMUBWRIYQVUQJ-IYBDPMFKSA-N 2 0 282.387 2.539 20 0 CFADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001237079856 779007515 /nfs/dbraw/zinc/00/75/15/779007515.db2.gz CNUVMEPPPKBDLK-KRWDZBQOSA-N 2 0 273.424 2.606 20 0 CFADRP Fc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237373999 779084365 /nfs/dbraw/zinc/08/43/65/779084365.db2.gz AJUWHUXRIVUUKD-NVXWUHKLSA-N 2 0 276.399 2.832 20 0 CFADRP Cn1ccc2c1cccc2C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237388391 779091488 /nfs/dbraw/zinc/09/14/88/779091488.db2.gz DARFJTRYTVBLIJ-WBVHZDCISA-N 2 0 283.419 2.752 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(C)cc1O ZINC001237389358 779092495 /nfs/dbraw/zinc/09/24/95/779092495.db2.gz FYZNHOMSXBAVJX-ZBFHGGJFSA-N 2 0 274.408 2.583 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CCCN2 ZINC001237410796 779101462 /nfs/dbraw/zinc/10/14/62/779101462.db2.gz DEPYRAQIFXJTTF-SJLPKXTDSA-N 2 0 285.435 2.619 20 0 CFADRP CCOc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)ccc1C ZINC001237413046 779102334 /nfs/dbraw/zinc/10/23/34/779102334.db2.gz IRSBZFVWVXIWNO-IAGOWNOFSA-N 2 0 288.435 2.968 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(N2CCCC2)c1 ZINC001237419317 779105343 /nfs/dbraw/zinc/10/53/43/779105343.db2.gz ZSUQNSOYODWVQN-MJGOQNOKSA-N 2 0 299.462 2.861 20 0 CFADRP C[NH+]1CCC2(C[NH+]([C@H]3CCc4cc(F)ccc4C3)C2)CC1 ZINC001168443870 779134782 /nfs/dbraw/zinc/13/47/82/779134782.db2.gz DYOCSDHEEWFZQJ-KRWDZBQOSA-N 2 0 288.410 2.711 20 0 CFADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168444921 779143722 /nfs/dbraw/zinc/14/37/22/779143722.db2.gz ICECUOLZPSVORQ-KBAYOESNSA-N 2 0 288.410 2.567 20 0 CFADRP COc1ccc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001237713193 779166340 /nfs/dbraw/zinc/16/63/40/779166340.db2.gz KKMITJYMHUDNMG-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(C)c1C ZINC001205094471 779167289 /nfs/dbraw/zinc/16/72/89/779167289.db2.gz MQTJHUXYBBEYNM-HNNXBMFYSA-N 2 0 262.397 2.625 20 0 CFADRP Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1C ZINC001205095711 779181907 /nfs/dbraw/zinc/18/19/07/779181907.db2.gz KBDKHQYREVUAMS-IAGOWNOFSA-N 2 0 258.409 2.687 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[N@H+](C)[C@@H]3CCOC3)cc21 ZINC001237883963 779200488 /nfs/dbraw/zinc/20/04/88/779200488.db2.gz XQJQWLAIYMWKKZ-MRXNPFEDSA-N 2 0 286.419 2.909 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCC[NH+](CCc3ccc(O)cc3)C2)C1 ZINC001278160961 779202275 /nfs/dbraw/zinc/20/22/75/779202275.db2.gz RMXDIHVKHYOIQW-SFHVURJKSA-N 2 0 288.435 2.743 20 0 CFADRP [NH3+][C@H]1CCCN(Cc2cc(F)ccc2Cl)CC1 ZINC001205101726 779210524 /nfs/dbraw/zinc/21/05/24/779210524.db2.gz JVPXAAOTTNNGPJ-LBPRGKRZSA-N 2 0 256.752 2.792 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000699295750 779238227 /nfs/dbraw/zinc/23/82/27/779238227.db2.gz ZOCICAXSNRCWGP-ODWCKFRGSA-N 2 0 265.426 2.633 20 0 CFADRP CCC[N@H+](Cc1cccc2c[nH+]cn21)C1CCOCC1 ZINC001238110243 779256822 /nfs/dbraw/zinc/25/68/22/779256822.db2.gz MBMMMSXFAFLUSE-UHFFFAOYSA-N 2 0 273.380 2.725 20 0 CFADRP C[C@H]1C[N@H+](CCCCCc2ccccc2)C[C@H]1C[NH3+] ZINC001205130883 779284556 /nfs/dbraw/zinc/28/45/56/779284556.db2.gz NQTTVGVTLDNZMD-DOTOQJQBSA-N 2 0 260.425 2.926 20 0 CFADRP Cc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1F ZINC001235031246 779304350 /nfs/dbraw/zinc/30/43/50/779304350.db2.gz FCJLZNLPTMCSBR-MRXNPFEDSA-N 2 0 262.372 2.628 20 0 CFADRP CCCCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205135882 779304651 /nfs/dbraw/zinc/30/46/51/779304651.db2.gz BTWULPUWPHDKEC-GOEBONIOSA-N 2 0 276.424 2.892 20 0 CFADRP c1cc2c(cc1C[NH+]1CCC3(CC3)CC1)CC[NH2+]C2 ZINC001235096043 779312792 /nfs/dbraw/zinc/31/27/92/779312792.db2.gz ZSHJGCMFKUWHOO-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(C(F)F)cc1)C2 ZINC001235162329 779321298 /nfs/dbraw/zinc/32/12/98/779321298.db2.gz XORBWLWHKZSSSL-GXTWGEPZSA-N 2 0 252.308 2.547 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000715259925 779351956 /nfs/dbraw/zinc/35/19/56/779351956.db2.gz BVJKZPWYFGAZTK-CVEARBPZSA-N 2 0 281.488 2.712 20 0 CFADRP CCOc1cc(C[NH+]2CCC(C[NH2+]C)CC2)ccc1C ZINC001235679650 779367622 /nfs/dbraw/zinc/36/76/22/779367622.db2.gz MHKHEDNQSHIYEY-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235778208 779377373 /nfs/dbraw/zinc/37/73/73/779377373.db2.gz WFIHPNRZJBDFFF-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP CCc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)ccc1Cl ZINC001235841376 779384414 /nfs/dbraw/zinc/38/44/14/779384414.db2.gz FBNMYXCCDRHOIG-ZDUSSCGKSA-N 2 0 266.816 2.944 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]2CC[NH3+])c(C)c1C ZINC001235925285 779409772 /nfs/dbraw/zinc/40/97/72/779409772.db2.gz PRFDIRGSUAMQAG-HNNXBMFYSA-N 2 0 276.424 2.934 20 0 CFADRP Cc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235936849 779411213 /nfs/dbraw/zinc/41/12/13/779411213.db2.gz HJZICCLJYXLILF-CHWSQXEVSA-N 2 0 264.800 2.690 20 0 CFADRP Cc1cc(F)cc(C)c1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC001235957222 779415110 /nfs/dbraw/zinc/41/51/10/779415110.db2.gz KZVJOBMZYATAKY-AWEZNQCLSA-N 2 0 264.388 2.874 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2C2=CCC[NH2+]CC2)CC1 ZINC001238945315 779423352 /nfs/dbraw/zinc/42/33/52/779423352.db2.gz KHJQIRFSGRFROA-UHFFFAOYSA-N 3 0 299.462 2.624 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc([C@H](C)[NH3+])cc2)cn1 ZINC001239208137 779471935 /nfs/dbraw/zinc/47/19/35/779471935.db2.gz QOFSATUAFKANDM-AWEZNQCLSA-N 2 0 286.423 2.912 20 0 CFADRP C(CC1CCCC1)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314533 779536191 /nfs/dbraw/zinc/53/61/91/779536191.db2.gz QNGIYYAAYUAEOL-IYBDPMFKSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1csc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237380303 779682270 /nfs/dbraw/zinc/68/22/70/779682270.db2.gz GLMYPBOBKZWUBP-TZMCWYRMSA-N 2 0 250.411 2.630 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001239803575 779785024 /nfs/dbraw/zinc/78/50/24/779785024.db2.gz DLTOFXXEWMLVOG-MRXNPFEDSA-N 2 0 267.376 2.674 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc([C@H]3CCC[NH2+]3)c(F)c2)c1 ZINC001239804661 779787442 /nfs/dbraw/zinc/78/74/42/779787442.db2.gz UNLSLAYATHLNOR-MRXNPFEDSA-N 2 0 271.339 2.771 20 0 CFADRP COc1cncc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001239932665 779869383 /nfs/dbraw/zinc/86/93/83/779869383.db2.gz ZLUYITDIVXBDMU-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP [NH3+]CC[C@H]1CN(c2cccc(C[NH3+])c2)c2ccccc21 ZINC001168542248 779913738 /nfs/dbraw/zinc/91/37/38/779913738.db2.gz BLXRASCVDPFPJG-AWEZNQCLSA-N 2 0 267.376 2.729 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C1(C)C ZINC001205210532 779918270 /nfs/dbraw/zinc/91/82/70/779918270.db2.gz PPBZMHUTXAAYNR-RDJZCZTQSA-N 2 0 280.456 2.545 20 0 CFADRP Cc1nn(C)c(C)c1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001240144377 779965190 /nfs/dbraw/zinc/96/51/90/779965190.db2.gz CJHKLKWMWPITJF-UHFFFAOYSA-N 2 0 298.434 2.627 20 0 CFADRP c1cc2c[nH+]c(-c3cccc(CN4CC[NH2+]CC4)c3)cc2[nH]1 ZINC001240227179 780013856 /nfs/dbraw/zinc/01/38/56/780013856.db2.gz ZJNMVHPTQUIORO-UHFFFAOYSA-N 2 0 292.386 2.635 20 0 CFADRP CC(C)[N@H+](CCC[NH3+])[C@H]1Cc2cccc(Cl)c2C1 ZINC001168686210 780326082 /nfs/dbraw/zinc/32/60/82/780326082.db2.gz WQKWGOOMYIRQRQ-ZDUSSCGKSA-N 2 0 266.816 2.866 20 0 CFADRP CCn1cc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)cn1 ZINC001240652776 780328811 /nfs/dbraw/zinc/32/88/11/780328811.db2.gz WQLTZZDCEAGRBF-UHFFFAOYSA-N 2 0 298.434 2.741 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000453107201 780415268 /nfs/dbraw/zinc/41/52/68/780415268.db2.gz KPQVQBNNCHYCMH-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000453248468 780429000 /nfs/dbraw/zinc/42/90/00/780429000.db2.gz FKIJZNXWBVVMSC-HOCLYGCPSA-N 2 0 290.455 2.887 20 0 CFADRP C[NH2+]Cc1ccccc1-c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001240854971 780479661 /nfs/dbraw/zinc/47/96/61/780479661.db2.gz RCQNLCXRBZPZPO-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3cccc(C[NH3+])c3F)cc2)CC1 ZINC001240855357 780479837 /nfs/dbraw/zinc/47/98/37/780479837.db2.gz MDXDKNCAOHXKIE-UHFFFAOYSA-N 2 0 299.393 2.703 20 0 CFADRP C(c1cccc(C2CC[NH2+]CC2)c1)=C1CC[NH2+]CC1 ZINC001240877537 780496472 /nfs/dbraw/zinc/49/64/72/780496472.db2.gz ZHFVCFQSLWLWHH-UHFFFAOYSA-N 2 0 256.393 2.920 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000702001873 780866992 /nfs/dbraw/zinc/86/69/92/780866992.db2.gz GNCYTFNFMZSLHC-CABCVRRESA-N 2 0 273.405 2.856 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C)(O)CC1 ZINC000702996375 780975181 /nfs/dbraw/zinc/97/51/81/780975181.db2.gz LMFFMTQXOBUWBO-FHERZECASA-N 2 0 268.445 2.534 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000704777761 781115684 /nfs/dbraw/zinc/11/56/84/781115684.db2.gz VDTWAENLDMXLAN-TUVASFSCSA-N 2 0 268.470 2.640 20 0 CFADRP COC(=O)C1(C)CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168759739 781139920 /nfs/dbraw/zinc/13/99/20/781139920.db2.gz YZJMBQPCNGZNKW-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2)C12CCC2 ZINC000705800753 781145914 /nfs/dbraw/zinc/14/59/14/781145914.db2.gz IELICWCRHKPIKN-UONOGXRCSA-N 2 0 264.800 2.742 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cnn(C4CC4)c3)cc2)CC1 ZINC001241909565 781174738 /nfs/dbraw/zinc/17/47/38/781174738.db2.gz NAPOJIHOUICYBI-UHFFFAOYSA-N 2 0 296.418 2.808 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001241980247 781214026 /nfs/dbraw/zinc/21/40/26/781214026.db2.gz ZYUJRIZATZZIIK-HNNXBMFYSA-N 2 0 295.430 2.779 20 0 CFADRP CC[NH+](CC)Cc1cncc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242026119 781240322 /nfs/dbraw/zinc/24/03/22/781240322.db2.gz MCPJXPKGSLUJGN-SJORKVTESA-N 2 0 271.408 2.831 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709657014 781296285 /nfs/dbraw/zinc/29/62/85/781296285.db2.gz RFWJRIBBWAFXGY-CQSZACIVSA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCCC[C@@H]2CC[NH3+])C(C)(C)O1 ZINC000709701827 781302574 /nfs/dbraw/zinc/30/25/74/781302574.db2.gz IGFNANGGRAHEOH-ZIAGYGMSSA-N 2 0 268.445 2.783 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709755168 781307037 /nfs/dbraw/zinc/30/70/37/781307037.db2.gz MPJTYAARXUOWGX-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709756505 781307084 /nfs/dbraw/zinc/30/70/84/781307084.db2.gz UYUPIHLSHKSRSR-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCc3ccccc3C1)[NH2+]2 ZINC000709388422 781310291 /nfs/dbraw/zinc/31/02/91/781310291.db2.gz PPMZBRCRSOFAID-SOGIYBJLSA-N 2 0 270.420 2.663 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000709639310 781317419 /nfs/dbraw/zinc/31/74/19/781317419.db2.gz XGZMNFOSWUBARM-RYUDHWBXSA-N 2 0 264.335 2.650 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709866911 781320281 /nfs/dbraw/zinc/32/02/81/781320281.db2.gz JHXINSBOPNNBMY-OPRDCNLKSA-N 2 0 288.304 2.737 20 0 CFADRP CC(C)(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000709893387 781321345 /nfs/dbraw/zinc/32/13/45/781321345.db2.gz RZWRTFVQAKWYHI-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)F ZINC000710410473 781333069 /nfs/dbraw/zinc/33/30/69/781333069.db2.gz DYCQMJNGSVBMOK-RYUDHWBXSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[NH2+]1 ZINC000710500128 781334295 /nfs/dbraw/zinc/33/42/95/781334295.db2.gz ROHQJHUQOGZFDF-NNKSGKNISA-N 2 0 262.441 2.789 20 0 CFADRP C[C@H]([NH2+]C[C@]12C[C@H]1CCCC2)C1CC[NH+](C)CC1 ZINC000710519280 781334879 /nfs/dbraw/zinc/33/48/79/781334879.db2.gz HYYUHGGPCJYFTF-IMJJTQAJSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CCCCCC[NH3+] ZINC000710728674 781336456 /nfs/dbraw/zinc/33/64/56/781336456.db2.gz AMFFHVZKGQGWQQ-ZDUSSCGKSA-N 2 0 250.386 2.904 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(Cl)nc1 ZINC000710762114 781338578 /nfs/dbraw/zinc/33/85/78/781338578.db2.gz ZYXWISWHARIVPA-UHFFFAOYSA-N 2 0 255.793 2.686 20 0 CFADRP COc1ccc(C)cc1C[N@H+](C)CCCCCC[NH3+] ZINC000710805732 781340687 /nfs/dbraw/zinc/34/06/87/781340687.db2.gz RSGKWZVTJZOOBF-UHFFFAOYSA-N 2 0 264.413 2.955 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCOc1ccc(F)cc1 ZINC000710819413 781340695 /nfs/dbraw/zinc/34/06/95/781340695.db2.gz QOUXMYBLALDOSF-UHFFFAOYSA-N 2 0 268.376 2.655 20 0 CFADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000710896702 781344564 /nfs/dbraw/zinc/34/45/64/781344564.db2.gz CWPBQQVSYBILJC-KGLIPLIRSA-N 2 0 294.464 2.783 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)COc2ccccc2)CC1 ZINC000710968557 781349962 /nfs/dbraw/zinc/34/99/62/781349962.db2.gz DHWZLEZWKJIOAN-OAHLLOKOSA-N 2 0 276.424 2.916 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000711274086 781405722 /nfs/dbraw/zinc/40/57/22/781405722.db2.gz MCUDRUROCBCUBS-APIJFGDWSA-N 2 0 280.456 2.558 20 0 CFADRP CC[NH+](CC)C1CCN(CCC[C@H]2CCOC2)CC1 ZINC001118195849 781480289 /nfs/dbraw/zinc/48/02/89/781480289.db2.gz TYZVRKVQBRWLPF-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP [NH3+]C1(c2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC001242676908 781692938 /nfs/dbraw/zinc/69/29/38/781692938.db2.gz XJNRYCCAKRMODJ-UHFFFAOYSA-N 2 0 250.345 2.905 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242729132 781726253 /nfs/dbraw/zinc/72/62/53/781726253.db2.gz LLPLJFBYXZZHHE-ZDUSSCGKSA-N 2 0 284.407 2.837 20 0 CFADRP C[NH2+]Cc1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001242731241 781727235 /nfs/dbraw/zinc/72/72/35/781727235.db2.gz RCHBLPPBTMACGF-UHFFFAOYSA-N 2 0 284.407 2.536 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC001119618483 781840569 /nfs/dbraw/zinc/84/05/69/781840569.db2.gz LJUHXQRAWHZJPH-KRWDZBQOSA-N 2 0 274.408 2.974 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC001242995752 781910287 /nfs/dbraw/zinc/91/02/87/781910287.db2.gz WOOLLZMQRXNZTD-INIZCTEOSA-N 2 0 267.376 2.893 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC001242997519 781912155 /nfs/dbraw/zinc/91/21/55/781912155.db2.gz RYPZAUZTAAGYPN-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000594520646 349441376 /nfs/dbraw/zinc/44/13/76/349441376.db2.gz KCRYMRXATFWBBY-ILXRZTDVSA-N 2 0 298.471 2.673 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000124411786 187136438 /nfs/dbraw/zinc/13/64/38/187136438.db2.gz UQUXGWAXLGLXBF-JKIFEVAISA-N 2 0 276.424 2.651 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273032761 192025927 /nfs/dbraw/zinc/02/59/27/192025927.db2.gz UTSGVWLCOJQNLL-HLLBOEOZSA-N 2 0 276.424 2.522 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127726111 187328913 /nfs/dbraw/zinc/32/89/13/187328913.db2.gz PCAGLLGNDGZKRW-YOEHRIQHSA-N 2 0 293.430 2.502 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000125045184 187167081 /nfs/dbraw/zinc/16/70/81/187167081.db2.gz WBZSOHYTFDKPLV-RBSFLKMASA-N 2 0 292.423 2.535 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000595016083 349550769 /nfs/dbraw/zinc/55/07/69/349550769.db2.gz PRUVGKBPESQSEV-LBPRGKRZSA-N 2 0 274.449 2.684 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595015897 349551064 /nfs/dbraw/zinc/55/10/64/349551064.db2.gz VKYAOZKZFFEIGX-LBPRGKRZSA-N 2 0 262.438 2.540 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CSCCF)CC1 ZINC000595025728 349555131 /nfs/dbraw/zinc/55/51/31/349555131.db2.gz LYTBQUGNFQOAMJ-CYBMUJFWSA-N 2 0 276.465 2.789 20 0 CFADRP C[C@H](CSCCF)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000595003834 349544277 /nfs/dbraw/zinc/54/42/77/349544277.db2.gz LEGRCLFHCJUZOB-KGLIPLIRSA-N 2 0 276.465 2.932 20 0 CFADRP CSC1(C[NH2+][C@H]2CCCSCC2)CC[NH+](C)CC1 ZINC000595046826 349562811 /nfs/dbraw/zinc/56/28/11/349562811.db2.gz BLZADTOMNDGFOK-ZDUSSCGKSA-N 2 0 288.526 2.689 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000595052055 349565422 /nfs/dbraw/zinc/56/54/22/349565422.db2.gz QJVPAENPNCXJRS-GJZGRUSLSA-N 2 0 298.471 2.676 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000595064583 349572230 /nfs/dbraw/zinc/57/22/30/349572230.db2.gz CKKLBOWDCXUQRE-RBSFLKMASA-N 2 0 282.497 2.982 20 0 CFADRP CSCC1(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000595076228 349575351 /nfs/dbraw/zinc/57/53/51/349575351.db2.gz YPCAVMRPARKCNT-CYBMUJFWSA-N 2 0 270.486 2.840 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)s1 ZINC000125252054 187176710 /nfs/dbraw/zinc/17/67/10/187176710.db2.gz VQRFFRFKGMUUJG-CFVMTHIKSA-N 2 0 264.438 2.924 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000595096091 349580145 /nfs/dbraw/zinc/58/01/45/349580145.db2.gz ZWAHDBMGHCLMAD-MGPQQGTHSA-N 2 0 268.470 2.735 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125300308 187178495 /nfs/dbraw/zinc/17/84/95/187178495.db2.gz RCVNXERGOHOTLV-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083429118 178433639 /nfs/dbraw/zinc/43/36/39/178433639.db2.gz PNHHJGYTDLVSNX-HNNXBMFYSA-N 2 0 257.381 2.742 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])Oc1cccc(C)c1 ZINC000422917861 529495839 /nfs/dbraw/zinc/49/58/39/529495839.db2.gz FVKLTRSPOPYZLU-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1Cl ZINC000336442486 282188123 /nfs/dbraw/zinc/18/81/23/282188123.db2.gz ZCFPOFHKXIPUNA-AAEUAGOBSA-N 2 0 265.788 2.574 20 0 CFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414795198 529540541 /nfs/dbraw/zinc/54/05/41/529540541.db2.gz MVJFNCWMVNQPTK-LSDHHAIUSA-N 2 0 294.439 2.598 20 0 CFADRP CC[C@@H](CSC)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000162228763 529528085 /nfs/dbraw/zinc/52/80/85/529528085.db2.gz KKTQLAQDJZZUJA-AWEZNQCLSA-N 2 0 258.475 2.936 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403319069 290026754 /nfs/dbraw/zinc/02/67/54/290026754.db2.gz IKDSOKYHEDQACQ-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c[nH]c21 ZINC000422915823 529554473 /nfs/dbraw/zinc/55/44/73/529554473.db2.gz ZETYQTYBMGMBNO-QWHCGFSZSA-N 2 0 273.424 2.988 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@H]1C[C@H]1C ZINC000414063015 529585023 /nfs/dbraw/zinc/58/50/23/529585023.db2.gz CHDSNANAUPTEMS-KBMXLJTQSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H]1C ZINC000414071956 529585062 /nfs/dbraw/zinc/58/50/62/529585062.db2.gz MGZOSEJDOKIBIC-KCXAZCMYSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccs1 ZINC000126151300 187220618 /nfs/dbraw/zinc/22/06/18/187220618.db2.gz MWHMOXPLMXROKO-NEPJUHHUSA-N 2 0 252.427 2.743 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422752802 529630128 /nfs/dbraw/zinc/63/01/28/529630128.db2.gz HJICWSXKNNHXRX-DLBZAZTESA-N 2 0 260.425 2.899 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423216604 529614224 /nfs/dbraw/zinc/61/42/24/529614224.db2.gz RXCQJAMUUADLSG-DOMZBBRYSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423216978 529614420 /nfs/dbraw/zinc/61/44/20/529614420.db2.gz SUZFNRKCBBQFQA-CJNGLKHVSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@H](NC[C@H]([NH3+])c1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423251038 529619181 /nfs/dbraw/zinc/61/91/81/529619181.db2.gz VQNUWPSAVNVPRN-BZSNNMDCSA-N 2 0 289.467 2.930 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1OC ZINC000423490322 529660093 /nfs/dbraw/zinc/66/00/93/529660093.db2.gz HTYNCDBXRQZQLZ-GUTXKFCHSA-N 2 0 262.397 2.863 20 0 CFADRP CC[C@H](Nc1cc(C)cc(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000423025196 529674872 /nfs/dbraw/zinc/67/48/72/529674872.db2.gz LBNOOBFTBQYBKJ-IRXDYDNUSA-N 2 0 275.440 2.999 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1CCCCC1 ZINC000371293884 282223965 /nfs/dbraw/zinc/22/39/65/282223965.db2.gz IBQOXOABTGAUBY-IXDOHACOSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000126726377 187259137 /nfs/dbraw/zinc/25/91/37/187259137.db2.gz AGAQOFAHJVXDKA-LSDHHAIUSA-N 2 0 276.424 2.645 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126724091 187257694 /nfs/dbraw/zinc/25/76/94/187257694.db2.gz VWHFJGTXKOUYLC-QGZVFWFLSA-N 2 0 298.434 2.821 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000294998142 199291905 /nfs/dbraw/zinc/29/19/05/199291905.db2.gz HPGKXZOOOKWJDH-UHFFFAOYSA-N 2 0 269.392 2.741 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])OC ZINC000422998558 282273545 /nfs/dbraw/zinc/27/35/45/282273545.db2.gz QSGIVVKGCYSTQI-OAGGEKHMSA-N 2 0 270.461 2.935 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)OC ZINC000358339664 282274147 /nfs/dbraw/zinc/27/41/47/282274147.db2.gz JNEXRILGUGGUTG-BPUTZDHNSA-N 2 0 270.461 2.758 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cs1 ZINC000422905544 529735212 /nfs/dbraw/zinc/73/52/12/529735212.db2.gz SJKSPCPWACNUHA-GJZGRUSLSA-N 2 0 287.432 2.982 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000126848176 187265447 /nfs/dbraw/zinc/26/54/47/187265447.db2.gz IIXQVLQBKUUDLV-MFKMUULPSA-N 2 0 254.324 2.793 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422719396 529792001 /nfs/dbraw/zinc/79/20/01/529792001.db2.gz RBLBJIZOAWDLGC-OKZBNKHCSA-N 2 0 287.451 2.763 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)sc1Cl ZINC000312748288 260196567 /nfs/dbraw/zinc/19/65/67/260196567.db2.gz DICJNJLSIVNVIK-VIFPVBQESA-N 2 0 297.251 2.898 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000423161598 529884003 /nfs/dbraw/zinc/88/40/03/529884003.db2.gz JGCLWGJGXWEHKK-OKZBNKHCSA-N 3 0 293.499 2.761 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000423287878 282307590 /nfs/dbraw/zinc/30/75/90/282307590.db2.gz PABLKBTVSZAJAY-CHWSQXEVSA-N 2 0 256.434 2.687 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000420310867 529930428 /nfs/dbraw/zinc/93/04/28/529930428.db2.gz VGYDMGGKCPSSKH-YJBOKZPZSA-N 2 0 272.436 2.865 20 0 CFADRP C[NH2+]CC1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000430923823 529958887 /nfs/dbraw/zinc/95/88/87/529958887.db2.gz GMJOOAOAISLXQJ-UHFFFAOYSA-N 2 0 284.806 2.953 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000423200037 529971506 /nfs/dbraw/zinc/97/15/06/529971506.db2.gz LMGQXUGBXCMNQE-CQSZACIVSA-N 2 0 264.413 2.982 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423198634 529971596 /nfs/dbraw/zinc/97/15/96/529971596.db2.gz GXYNSINAGXJBMZ-LLVKDONJSA-N 2 0 290.329 2.888 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423209116 529971653 /nfs/dbraw/zinc/97/16/53/529971653.db2.gz ZQBKHPVGAWEOLE-XHDPSFHLSA-N 2 0 250.361 2.648 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CCC(C)C)CC1 ZINC000075007544 347047368 /nfs/dbraw/zinc/04/73/68/347047368.db2.gz BFWKEAKJBCRVQF-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423209307 529971266 /nfs/dbraw/zinc/97/12/66/529971266.db2.gz ZUWWORYJZCXEDP-JTQLQIEISA-N 2 0 258.312 2.548 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000562962295 290086286 /nfs/dbraw/zinc/08/62/86/290086286.db2.gz MWXODOGRWPRVKC-IACUBPJLSA-N 2 0 278.444 2.867 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000414845773 529985153 /nfs/dbraw/zinc/98/51/53/529985153.db2.gz SRFNWGGKSRUBMO-CYBMUJFWSA-N 2 0 272.392 2.794 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000414844399 529985449 /nfs/dbraw/zinc/98/54/49/529985449.db2.gz RCDATWWXVYHGAI-SNVBAGLBSA-N 2 0 260.303 2.651 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000423255968 529985599 /nfs/dbraw/zinc/98/55/99/529985599.db2.gz BCQIFUBOKQQVKE-YPMHNXCESA-N 2 0 280.412 2.518 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000423271638 529986024 /nfs/dbraw/zinc/98/60/24/529986024.db2.gz JDHOVIQRJRNKKY-ZIAGYGMSSA-N 2 0 286.423 2.593 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccccc1SC ZINC000423266166 529986399 /nfs/dbraw/zinc/98/63/99/529986399.db2.gz CYIUQMDSMGOUIM-VXGBXAGGSA-N 2 0 252.427 2.915 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414839699 529998743 /nfs/dbraw/zinc/99/87/43/529998743.db2.gz MKAVLOVRBSSEDY-NSHDSACASA-N 2 0 277.799 2.833 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423285674 529998908 /nfs/dbraw/zinc/99/89/08/529998908.db2.gz ZTOHDCOENHGANX-RYUDHWBXSA-N 2 0 270.367 2.731 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418105550 529999232 /nfs/dbraw/zinc/99/92/32/529999232.db2.gz BDSKVZYBQAAZQH-MAEOIBBWSA-N 2 0 290.451 2.648 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423278480 529999283 /nfs/dbraw/zinc/99/92/83/529999283.db2.gz RAMAAEYPEPFFDW-NUEKZKHPSA-N 2 0 275.440 2.861 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000422742769 530009162 /nfs/dbraw/zinc/00/91/62/530009162.db2.gz QJYVSGRMECYUKI-MRXNPFEDSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@H]([NH2+]CCCOc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000121704531 539437350 /nfs/dbraw/zinc/43/73/50/539437350.db2.gz AOIJGQWYJMNJAL-AWEZNQCLSA-N 2 0 294.414 2.915 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2ccccc2CC1 ZINC000089428199 539459716 /nfs/dbraw/zinc/45/97/16/539459716.db2.gz FQHRXJPEUMQUBA-KRWDZBQOSA-N 2 0 258.409 2.572 20 0 CFADRP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000129989167 539484114 /nfs/dbraw/zinc/48/41/14/539484114.db2.gz QDUANZLATXQSEB-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000124019600 539516140 /nfs/dbraw/zinc/51/61/40/539516140.db2.gz BODPJZSLCPTPLQ-HNNXBMFYSA-N 2 0 258.409 2.810 20 0 CFADRP C[C@H]1CC[C@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123993916 539512912 /nfs/dbraw/zinc/51/29/12/539512912.db2.gz FPDKQNQAXJXGGU-KBPBESRZSA-N 2 0 258.409 2.953 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649013 346332453 /nfs/dbraw/zinc/33/24/53/346332453.db2.gz FPPXGVLAMZQDPG-GOEBONIOSA-N 2 0 288.435 2.700 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037621974 346332794 /nfs/dbraw/zinc/33/27/94/346332794.db2.gz OFCUNLXZQITVGO-KRWDZBQOSA-N 2 0 289.423 2.738 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000037042951 346325906 /nfs/dbraw/zinc/32/59/06/346325906.db2.gz SIDJABYXNZIPSK-MRXNPFEDSA-N 2 0 291.439 2.840 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000039424299 346343619 /nfs/dbraw/zinc/34/36/19/346343619.db2.gz YIFFFYWYPDJVSJ-QZTJIDSGSA-N 2 0 287.451 2.511 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000537958363 539538961 /nfs/dbraw/zinc/53/89/61/539538961.db2.gz RSCNRXPVMLVUIW-ZFWWWQNUSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512302 539545894 /nfs/dbraw/zinc/54/58/94/539545894.db2.gz LMFWIWGDRRTXNP-RHSMWYFYSA-N 2 0 273.424 2.539 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000056524062 346610789 /nfs/dbraw/zinc/61/07/89/346610789.db2.gz ZEDWCWQNDWEKKR-UHFFFAOYSA-N 2 0 264.388 2.989 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCCOC1 ZINC000080199905 347348462 /nfs/dbraw/zinc/34/84/62/347348462.db2.gz CNHIBKHIRMRRFM-QGZVFWFLSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000128567604 187377963 /nfs/dbraw/zinc/37/79/63/187377963.db2.gz ZPCRSVMWSCGBFM-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(F)c1 ZINC000128565293 187378112 /nfs/dbraw/zinc/37/81/12/187378112.db2.gz MIYBGYDHNVMLJQ-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCC1 ZINC000090456963 347550082 /nfs/dbraw/zinc/55/00/82/347550082.db2.gz RUTSWPUYAAGLPA-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000094951038 347697544 /nfs/dbraw/zinc/69/75/44/347697544.db2.gz DRXMZJZJFGEWGO-GJZGRUSLSA-N 2 0 250.361 2.536 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000124626163 347825133 /nfs/dbraw/zinc/82/51/33/347825133.db2.gz OEJPSQYPRMFIJU-AAEUAGOBSA-N 2 0 268.788 2.530 20 0 CFADRP c1ccc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000116130947 347784346 /nfs/dbraw/zinc/78/43/46/347784346.db2.gz BCAQSWAQOGVFJF-DLBZAZTESA-N 2 0 252.361 2.532 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000129054391 347856905 /nfs/dbraw/zinc/85/69/05/347856905.db2.gz ATFKPMMCACKBQO-CQSZACIVSA-N 2 0 264.388 2.954 20 0 CFADRP CC(C)[NH+](CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C(C)C ZINC000563955491 290186549 /nfs/dbraw/zinc/18/65/49/290186549.db2.gz HVDJMIVUCWEAIS-NVXWUHKLSA-N 2 0 297.487 2.519 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC1=CCCOC1 ZINC000126513852 347835266 /nfs/dbraw/zinc/83/52/66/347835266.db2.gz BFDBSVOVFSROHK-OAHLLOKOSA-N 2 0 266.429 2.577 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000131510990 347878865 /nfs/dbraw/zinc/87/88/65/347878865.db2.gz CNRMBKSRPIBUFZ-IUODEOHRSA-N 2 0 255.365 2.546 20 0 CFADRP C[NH+](C)CC(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000132102379 347882556 /nfs/dbraw/zinc/88/25/56/347882556.db2.gz VSOMHMYLYQVSOO-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)(F)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668570311 539587277 /nfs/dbraw/zinc/58/72/77/539587277.db2.gz UCYZRTJMYHWZBP-UHFFFAOYSA-N 2 0 265.376 2.778 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000133987031 347894985 /nfs/dbraw/zinc/89/49/85/347894985.db2.gz VWWGTVMKXPNPNK-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP C([C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC000150799860 347957887 /nfs/dbraw/zinc/95/78/87/347957887.db2.gz FLMWTTWXMPYZAI-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC000668584970 539596938 /nfs/dbraw/zinc/59/69/38/539596938.db2.gz YFSLRWNXDGKVRR-AWEZNQCLSA-N 2 0 281.350 2.685 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000158174741 348005528 /nfs/dbraw/zinc/00/55/28/348005528.db2.gz BWEIHMVRWBIAFD-OKZBNKHCSA-N 3 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)cc1 ZINC000154421911 347979990 /nfs/dbraw/zinc/97/99/90/347979990.db2.gz PZXDXGXKYJRUAP-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000154774396 347982646 /nfs/dbraw/zinc/98/26/46/347982646.db2.gz ZIUFMIWICOIBCV-DZGCQCFKSA-N 2 0 270.486 2.982 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCCCCO)CC1 ZINC000171145180 348070184 /nfs/dbraw/zinc/07/01/84/348070184.db2.gz COARZFGVIXAFTE-UHFFFAOYSA-N 2 0 270.461 2.593 20 0 CFADRP C(C[NH+]1CCCC1)OC1CC[NH+](CC2CCCC2)CC1 ZINC000173946905 348111401 /nfs/dbraw/zinc/11/14/01/348111401.db2.gz VWKAVJUIHVCORP-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C(=C\c1ccccc1)\CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000210540778 348158452 /nfs/dbraw/zinc/15/84/52/348158452.db2.gz YOILGTJWGUHQPR-REEAJDFCSA-N 2 0 256.393 2.916 20 0 CFADRP CCCCCN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000221278839 348171142 /nfs/dbraw/zinc/17/11/42/348171142.db2.gz WWZLOGCIISBHSB-LSDHHAIUSA-N 2 0 250.361 2.742 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000234751591 348223202 /nfs/dbraw/zinc/22/32/02/348223202.db2.gz XPJQFAFHNWFZGP-HUUCEWRRSA-N 2 0 294.439 2.878 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000237086152 348238370 /nfs/dbraw/zinc/23/83/70/348238370.db2.gz KCYBNACGOGLZPD-INIZCTEOSA-N 2 0 284.407 2.569 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000250645202 348288543 /nfs/dbraw/zinc/28/85/43/348288543.db2.gz JRFNRGYWOPVLBP-SQNIBIBYSA-N 2 0 287.451 2.511 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000300536800 348368818 /nfs/dbraw/zinc/36/88/18/348368818.db2.gz YLMXJWXTEVTGAO-GUYCJALGSA-N 2 0 274.408 2.701 20 0 CFADRP C[C@@H]1[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000309838172 348407947 /nfs/dbraw/zinc/40/79/47/348407947.db2.gz VBFUCLVDLQLEMY-VDHUWJSZSA-N 2 0 287.451 2.509 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000311095075 348411577 /nfs/dbraw/zinc/41/15/77/348411577.db2.gz QRWISEZMSSCCSM-GFCCVEGCSA-N 2 0 253.390 2.583 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1COc2ccccc21 ZINC000584768018 348713964 /nfs/dbraw/zinc/71/39/64/348713964.db2.gz QQAGEZJFMKWAIV-FQLMCAECSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1noc(C)c1[C@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000092332028 539676215 /nfs/dbraw/zinc/67/62/15/539676215.db2.gz QINBVTZKOHUUEP-FZMZJTMJSA-N 2 0 265.401 2.816 20 0 CFADRP C[C@H]([NH2+]C1CC(C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000672623119 539671431 /nfs/dbraw/zinc/67/14/31/539671431.db2.gz QHMOZFJGHXJICI-GCVQQVDUSA-N 2 0 264.335 2.647 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000129047281 187408094 /nfs/dbraw/zinc/40/80/94/187408094.db2.gz CAJQYCFNHKIXLG-AAEUAGOBSA-N 2 0 266.360 2.627 20 0 CFADRP c1cnn(CCCCC[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000591868863 349052863 /nfs/dbraw/zinc/05/28/63/349052863.db2.gz GXQTVTCJFILJNP-MRXNPFEDSA-N 2 0 287.411 2.587 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000414064752 233157109 /nfs/dbraw/zinc/15/71/09/233157109.db2.gz GCTSVKLETQWELF-GJZGRUSLSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000414069897 233159471 /nfs/dbraw/zinc/15/94/71/233159471.db2.gz KSJNMWKPYBKQNC-XHSDSOJGSA-N 2 0 292.471 2.829 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414171168 233185678 /nfs/dbraw/zinc/18/56/78/233185678.db2.gz CSJCZFGODLBEOW-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414194570 233193205 /nfs/dbraw/zinc/19/32/05/233193205.db2.gz UKUZXBYBCFUGMP-QWHCGFSZSA-N 2 0 265.376 2.603 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2nc(C)c(C)s2)CC1 ZINC000127670009 539725452 /nfs/dbraw/zinc/72/54/52/539725452.db2.gz NUUJAJOASLUQKT-UHFFFAOYSA-N 2 0 281.469 2.766 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC[C@@H]2CCCC[C@H]2O)CC1 ZINC000305773207 539741701 /nfs/dbraw/zinc/74/17/01/539741701.db2.gz LMCAYTLJAUSTCV-DOTOQJQBSA-N 2 0 282.472 2.782 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000597129668 350034504 /nfs/dbraw/zinc/03/45/04/350034504.db2.gz NYUWGPHKWGWMNA-HUUCEWRRSA-N 2 0 298.471 2.674 20 0 CFADRP COC(=O)c1oc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1C ZINC000597139235 350037119 /nfs/dbraw/zinc/03/71/19/350037119.db2.gz XHCAPCKZBMILCF-UHFFFAOYSA-N 2 0 296.411 2.585 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000090721778 180031401 /nfs/dbraw/zinc/03/14/01/180031401.db2.gz VFOMZRVKRMIWDC-XJKSGUPXSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000090721776 180031567 /nfs/dbraw/zinc/03/15/67/180031567.db2.gz VFOMZRVKRMIWDC-CZUORRHYSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000090721743 180032427 /nfs/dbraw/zinc/03/24/27/180032427.db2.gz BMNKZAMQZRDCKB-WCQYABFASA-N 2 0 284.350 2.860 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937193 180068228 /nfs/dbraw/zinc/06/82/28/180068228.db2.gz KSWOQOPARQIJLX-KBPBESRZSA-N 2 0 279.428 2.546 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000091333428 180136253 /nfs/dbraw/zinc/13/62/53/180136253.db2.gz ILXGJEFKIFZUHT-WMZOPIPTSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414673738 233322971 /nfs/dbraw/zinc/32/29/71/233322971.db2.gz JPEGSELWGLLMGR-NXHRZFHOSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCOc2ccccc2F)CC[NH2+]1 ZINC000414682711 233324381 /nfs/dbraw/zinc/32/43/81/233324381.db2.gz RUDBUVOHRDZGCG-KGLIPLIRSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414684741 233324945 /nfs/dbraw/zinc/32/49/45/233324945.db2.gz WOCGCRNZEPHMRW-UONOGXRCSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3nccs3)C2)CC[NH2+]1 ZINC000414688006 233327149 /nfs/dbraw/zinc/32/71/49/233327149.db2.gz COPDPYAXVJUDOS-MCIONIFRSA-N 2 0 279.453 2.711 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)CC[NH2+]1 ZINC000414699169 233332296 /nfs/dbraw/zinc/33/22/96/233332296.db2.gz DKQNRGYAAMCGDN-KQTLUZQSSA-N 2 0 294.464 2.898 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414800823 233356089 /nfs/dbraw/zinc/35/60/89/233356089.db2.gz LLXXRPSWEXXHNZ-UKRRQHHQSA-N 2 0 298.377 2.938 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414798328 233356310 /nfs/dbraw/zinc/35/63/10/233356310.db2.gz QENBFEJFZQMUDU-MSOLQXFVSA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000414803267 233357169 /nfs/dbraw/zinc/35/71/69/233357169.db2.gz NMLSAMMRVSCUCK-HIFRSBDPSA-N 2 0 285.391 2.548 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000414802924 233357451 /nfs/dbraw/zinc/35/74/51/233357451.db2.gz CBEMYOWMPUDJCK-ZDUSSCGKSA-N 2 0 294.402 2.883 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414777986 233348413 /nfs/dbraw/zinc/34/84/13/233348413.db2.gz ISYMPVBSFBFOSV-MSOLQXFVSA-N 2 0 287.451 2.644 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414791628 233351902 /nfs/dbraw/zinc/35/19/02/233351902.db2.gz ICHQQMBCQVUKTE-RISCZKNCSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000414792490 233353316 /nfs/dbraw/zinc/35/33/16/233353316.db2.gz IZOHGTYJTVOHPX-LSDHHAIUSA-N 2 0 291.439 2.593 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414792683 233353454 /nfs/dbraw/zinc/35/34/54/233353454.db2.gz CQTQHSBMPUZPFH-WPRPVWTQSA-N 2 0 293.358 2.769 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000414793711 233353561 /nfs/dbraw/zinc/35/35/61/233353561.db2.gz DUGSFKBDYSXSGD-JKSUJKDBSA-N 2 0 269.392 2.842 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414845059 233376449 /nfs/dbraw/zinc/37/64/49/233376449.db2.gz LMHAVEDJRWTQDT-GVDBMIGSSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000414805251 233358525 /nfs/dbraw/zinc/35/85/25/233358525.db2.gz AIUPVYHLPDQLNF-KKBVYLPWSA-N 2 0 286.419 2.754 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414803795 233359367 /nfs/dbraw/zinc/35/93/67/233359367.db2.gz OCGNNFBSQBZPEK-FUHWJXTLSA-N 2 0 281.403 2.966 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414809173 233360755 /nfs/dbraw/zinc/36/07/55/233360755.db2.gz GJELDWWOELJZIH-CJNGLKHVSA-N 2 0 264.413 2.857 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])CC1CCOCC1 ZINC000414810656 233361604 /nfs/dbraw/zinc/36/16/04/233361604.db2.gz VMGRECHJQXZPGP-CWRNSKLLSA-N 2 0 268.445 2.546 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000414824116 233366947 /nfs/dbraw/zinc/36/69/47/233366947.db2.gz AFMURPGQZULKPF-BIOMNHJASA-N 2 0 266.335 2.567 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000414824118 233366975 /nfs/dbraw/zinc/36/69/75/233366975.db2.gz AFMURPGQZULKPF-UDSFMNFJSA-N 2 0 266.335 2.567 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414825106 233367044 /nfs/dbraw/zinc/36/70/44/233367044.db2.gz RXPYHUWFAQMJMF-VNHYZAJKSA-N 2 0 264.388 2.734 20 0 CFADRP Cc1cc(F)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414828698 233368932 /nfs/dbraw/zinc/36/89/32/233368932.db2.gz JIKCJGAVEIQRTE-LLVKDONJSA-N 2 0 270.779 2.877 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414828359 233369177 /nfs/dbraw/zinc/36/91/77/233369177.db2.gz ZLMRAXYJJFUMPN-QWRGUYRKSA-N 2 0 285.229 2.707 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CC[C@H]2CC[NH2+]C2)cc1F ZINC000414837076 233372888 /nfs/dbraw/zinc/37/28/88/233372888.db2.gz UBZBDVXMPWXEAL-KGLIPLIRSA-N 2 0 294.414 2.602 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414839197 233373540 /nfs/dbraw/zinc/37/35/40/233373540.db2.gz LXZRLOGKFLSTRT-XIRDDKMYSA-N 2 0 258.409 2.769 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414839435 233374087 /nfs/dbraw/zinc/37/40/87/233374087.db2.gz WJSGKMPTFIWCRR-HNNXBMFYSA-N 2 0 274.408 2.565 20 0 CFADRP C[C@H](C[NH3+])CNCc1csc(-c2ccsc2)n1 ZINC000414870802 233385116 /nfs/dbraw/zinc/38/51/16/233385116.db2.gz COKYAKNCCHGKLS-SECBINFHSA-N 2 0 267.423 2.556 20 0 CFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414875995 233387254 /nfs/dbraw/zinc/38/72/54/233387254.db2.gz KQCBUMNCRIMZEQ-VHSXEESVSA-N 2 0 260.834 2.907 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414882273 233387482 /nfs/dbraw/zinc/38/74/82/233387482.db2.gz TURBVWAKHUFLLN-DFBGVHRSSA-N 2 0 250.361 2.646 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414887132 233389078 /nfs/dbraw/zinc/38/90/78/233389078.db2.gz YTQNUNFYXXYNQL-LBPRGKRZSA-N 2 0 258.365 2.533 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414893092 233391821 /nfs/dbraw/zinc/39/18/21/233391821.db2.gz RBXPMOHBQUMZGC-YGRLFVJLSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@H](C[NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000414904831 233394051 /nfs/dbraw/zinc/39/40/51/233394051.db2.gz MCKCTMVHPRQUBC-IUODEOHRSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847405 233377428 /nfs/dbraw/zinc/37/74/28/233377428.db2.gz VUKJEPXNPWBXLG-HIFRSBDPSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414858341 233380616 /nfs/dbraw/zinc/38/06/16/233380616.db2.gz RLMVUHCSTRIVOC-GHMZBOCLSA-N 2 0 252.324 2.697 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414857192 233380887 /nfs/dbraw/zinc/38/08/87/233380887.db2.gz PCBUJAULQZHFQI-DGCLKSJQSA-N 2 0 252.789 2.818 20 0 CFADRP Clc1ccc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cn2c1 ZINC000414960771 233416589 /nfs/dbraw/zinc/41/65/89/233416589.db2.gz ARIWYCOFRMMHGX-CYBMUJFWSA-N 2 0 292.814 2.610 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414921788 233399845 /nfs/dbraw/zinc/39/98/45/233399845.db2.gz FWFRQHISZASWKG-RYUDHWBXSA-N 2 0 270.323 2.648 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000414986416 233426204 /nfs/dbraw/zinc/42/62/04/233426204.db2.gz CIIVRKSBGOCDCP-RKYWYAJISA-N 2 0 262.372 2.946 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414989137 233427037 /nfs/dbraw/zinc/42/70/37/233427037.db2.gz GTBQMLYUGJYMAW-SWLSCSKDSA-N 2 0 250.361 2.741 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2nc(C)cs2)CC[NH+](C)CC1 ZINC000599046409 350365308 /nfs/dbraw/zinc/36/53/08/350365308.db2.gz IUGMZDUCRJXVEB-LBPRGKRZSA-N 2 0 299.509 2.930 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000415028064 233441051 /nfs/dbraw/zinc/44/10/51/233441051.db2.gz CCKJGPBCOPDAPP-RKDXNWHRSA-N 2 0 278.343 2.984 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245966669 282693509 /nfs/dbraw/zinc/69/35/09/282693509.db2.gz ZCZCTCVQEXVYKG-BZUAXINKSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784490 539802862 /nfs/dbraw/zinc/80/28/62/539802862.db2.gz DKDKQWBTYPWZKM-ZBFHGGJFSA-N 2 0 296.480 2.722 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@@H]1CCCOC1)Cc1ccccc1 ZINC000111317680 186395827 /nfs/dbraw/zinc/39/58/27/186395827.db2.gz OBGHSLKDARDFDW-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000607358138 351331777 /nfs/dbraw/zinc/33/17/77/351331777.db2.gz CPVQXBIPFMPTIG-QGZVFWFLSA-N 2 0 290.451 2.956 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000261554345 290937903 /nfs/dbraw/zinc/93/79/03/290937903.db2.gz ATWCGEKLKIOOKM-XKGSQUFQSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCCS1)C1CC[NH+](C)CC1 ZINC000134007617 539823101 /nfs/dbraw/zinc/82/31/01/539823101.db2.gz SOWBDUSXWXUSMO-TZMCWYRMSA-N 2 0 256.459 2.592 20 0 CFADRP CCC(O)(CC)C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000121900414 187003569 /nfs/dbraw/zinc/00/35/69/187003569.db2.gz ROMBBLSYJLKEEM-WBVHZDCISA-N 2 0 290.451 2.790 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000123089005 187070499 /nfs/dbraw/zinc/07/04/99/187070499.db2.gz KNPXNPSZNCRUCH-CQSZACIVSA-N 2 0 276.424 2.786 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000122865486 187056239 /nfs/dbraw/zinc/05/62/39/187056239.db2.gz VYQYIPBVHWODDS-TZMCWYRMSA-N 2 0 296.842 2.963 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000122942639 187061353 /nfs/dbraw/zinc/06/13/53/187061353.db2.gz WVMRXMYNLQRZPS-INIZCTEOSA-N 2 0 289.423 2.609 20 0 CFADRP Cc1cscc1C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000122985156 187063979 /nfs/dbraw/zinc/06/39/79/187063979.db2.gz USMVHEWPHZLQIU-AAEUAGOBSA-N 2 0 250.411 2.771 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000122984934 187064106 /nfs/dbraw/zinc/06/41/06/187064106.db2.gz USMVHEWPHZLQIU-WCQYABFASA-N 2 0 250.411 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000124164712 187125249 /nfs/dbraw/zinc/12/52/49/187125249.db2.gz QBOHTSDUIGYWHY-JKSUJKDBSA-N 2 0 298.434 2.865 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000123626632 187101554 /nfs/dbraw/zinc/10/15/54/187101554.db2.gz XUJWUSWDHDDQGO-QAPCUYQASA-N 3 0 289.467 2.568 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819937 539825808 /nfs/dbraw/zinc/82/58/08/539825808.db2.gz QYIFMAVVHTZXFH-NCOADZHNSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000132005950 187601822 /nfs/dbraw/zinc/60/18/22/187601822.db2.gz RIZLOONUJWKKNW-VXGBXAGGSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(F)c2F)CC[N@@H+]1C ZINC000271518876 191189008 /nfs/dbraw/zinc/18/90/08/191189008.db2.gz UOHSKOLTDOFDBU-DGCLKSJQSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(F)c2F)CC[N@@H+]1C ZINC000271518879 191189435 /nfs/dbraw/zinc/18/94/35/191189435.db2.gz UOHSKOLTDOFDBU-WCQYABFASA-N 2 0 268.351 2.580 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)s1 ZINC000051693119 539953422 /nfs/dbraw/zinc/95/34/22/539953422.db2.gz UFLNKTQKGBPBMW-RKWZHAFESA-N 2 0 253.415 2.680 20 0 CFADRP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)s1 ZINC000292225461 198208392 /nfs/dbraw/zinc/20/83/92/198208392.db2.gz VGXKSTGWTUYJDW-OAHLLOKOSA-N 2 0 264.438 2.893 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152437458 188018450 /nfs/dbraw/zinc/01/84/50/188018450.db2.gz TWKBYNZETDWJQW-DZGCQCFKSA-N 2 0 276.399 2.831 20 0 CFADRP Cc1cnccc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000295165676 199382532 /nfs/dbraw/zinc/38/25/32/199382532.db2.gz KYMCPQJRESSPPJ-HNNXBMFYSA-N 2 0 263.429 2.846 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2sccc2C)CC1 ZINC000154267048 188132912 /nfs/dbraw/zinc/13/29/12/188132912.db2.gz WXAALXYVCZZZMU-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP C[C@@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000431598700 539983887 /nfs/dbraw/zinc/98/38/87/539983887.db2.gz XIUCEZDTBVWUOQ-OWYFMNJBSA-N 2 0 252.446 2.941 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@H](C)C1 ZINC000155579245 188214601 /nfs/dbraw/zinc/21/46/01/188214601.db2.gz WPCOGHOJMIJEFJ-OCCSQVGLSA-N 2 0 252.427 2.611 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000156146359 188245089 /nfs/dbraw/zinc/24/50/89/188245089.db2.gz KPMCGMFBWUJQFZ-YFHUEUNASA-N 2 0 289.467 2.830 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000156267472 188252608 /nfs/dbraw/zinc/25/26/08/188252608.db2.gz PPABSLUSUXIQIX-ZOBUZTSGSA-N 2 0 276.424 2.692 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+]CC2(C)CCC2)cc1 ZINC000434775830 540001207 /nfs/dbraw/zinc/00/12/07/540001207.db2.gz OKKFRHNAZBQONW-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1 ZINC000434765489 540001333 /nfs/dbraw/zinc/00/13/33/540001333.db2.gz MMRJULCLRVDPSN-CVEARBPZSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)C[N@H+](CCOCC[NH3+])Cc1cccc(Cl)c1 ZINC000621778307 353423428 /nfs/dbraw/zinc/42/34/28/353423428.db2.gz NTNUMPIESNOGRL-UHFFFAOYSA-N 2 0 284.831 2.773 20 0 CFADRP C[C@H](C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccc(F)cc1 ZINC000622003879 353463781 /nfs/dbraw/zinc/46/37/81/353463781.db2.gz GUOGEHUPQZUZJI-XNRPHZJLSA-N 2 0 262.372 2.742 20 0 CFADRP Cn1cncc1CC[NH2+]Cc1cscc1C(F)(F)F ZINC000623086069 353584908 /nfs/dbraw/zinc/58/49/08/353584908.db2.gz VKLGUWZWHZVQHS-UHFFFAOYSA-N 2 0 289.326 2.833 20 0 CFADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000623364200 353625805 /nfs/dbraw/zinc/62/58/05/353625805.db2.gz YOLDFXOIBGQKHX-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)([NH+](C)C)C1 ZINC000623371827 353628089 /nfs/dbraw/zinc/62/80/89/353628089.db2.gz VADNSSSKSPHHEP-NUJGCVRESA-N 2 0 295.515 2.959 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CC1(C)C ZINC000623381719 353630362 /nfs/dbraw/zinc/63/03/62/353630362.db2.gz CKEZZZRCKWSARG-TZMCWYRMSA-N 2 0 289.423 2.627 20 0 CFADRP Cc1csc([C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623398731 353635046 /nfs/dbraw/zinc/63/50/46/353635046.db2.gz NKLDOVNWUFASSR-NWDGAFQWSA-N 2 0 267.442 2.975 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402168 353635790 /nfs/dbraw/zinc/63/57/90/353635790.db2.gz AGZRKAUFDKXJLM-HIFRSBDPSA-N 2 0 276.424 2.786 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)CC1(C)C ZINC000623402783 353635815 /nfs/dbraw/zinc/63/58/15/353635815.db2.gz ZBCLTLNNXYGYGP-LSDHHAIUSA-N 2 0 258.409 2.789 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)CC1(C)C ZINC000623408179 353636646 /nfs/dbraw/zinc/63/66/46/353636646.db2.gz MCRZSPIJQGIZIG-LBPRGKRZSA-N 2 0 298.377 2.806 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623417818 353638926 /nfs/dbraw/zinc/63/89/26/353638926.db2.gz RAWWGFQJGMHILS-JKSUJKDBSA-N 2 0 281.488 2.713 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623436862 353644035 /nfs/dbraw/zinc/64/40/35/353644035.db2.gz IJZBTXQSLBPIGL-HEHGZKQESA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000623437654 353644877 /nfs/dbraw/zinc/64/48/77/353644877.db2.gz RXWPNQWWZXPFJP-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623437684 353645020 /nfs/dbraw/zinc/64/50/20/353645020.db2.gz SYGROXHRJQMYPQ-LSDHHAIUSA-N 2 0 270.461 2.900 20 0 CFADRP Cn1cc([C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C(C)(C)C)cn1 ZINC000623439591 353645411 /nfs/dbraw/zinc/64/54/11/353645411.db2.gz PQARXUGJUYMUSP-HUUCEWRRSA-N 2 0 292.471 2.970 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623443209 353646715 /nfs/dbraw/zinc/64/67/15/353646715.db2.gz UDHABBXLRWSFGG-MRXNPFEDSA-N 2 0 289.423 2.614 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)CC1(C)C ZINC000623447930 353647226 /nfs/dbraw/zinc/64/72/26/353647226.db2.gz GZTQXORJQXKIEL-ZDUSSCGKSA-N 2 0 297.830 2.576 20 0 CFADRP CCC1(O)CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623481391 353653661 /nfs/dbraw/zinc/65/36/61/353653661.db2.gz ADOXHPCUHJGKCC-BBBYJDLNSA-N 2 0 268.445 2.533 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623482170 353653670 /nfs/dbraw/zinc/65/36/70/353653670.db2.gz DZVXVMDNZUKMAW-KKUMJFAQSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623454147 353648704 /nfs/dbraw/zinc/64/87/04/353648704.db2.gz VFZXPPWCZMZIMB-KGLIPLIRSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1(C)C ZINC000623454853 353649487 /nfs/dbraw/zinc/64/94/87/353649487.db2.gz QPGRRHOBDHTCJV-SQWLQELKSA-N 2 0 298.496 2.504 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335566 353616481 /nfs/dbraw/zinc/61/64/81/353616481.db2.gz SMSYCVHTTFREEK-CVEARBPZSA-N 3 0 283.504 2.959 20 0 CFADRP CC(C)COCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623343404 353619635 /nfs/dbraw/zinc/61/96/35/353619635.db2.gz QTRXWRKMSWDPNL-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2)CC1(C)C ZINC000623343301 353619891 /nfs/dbraw/zinc/61/98/91/353619891.db2.gz LKIFQHLKGZDZKI-OAHLLOKOSA-N 2 0 264.388 2.831 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000623492193 353656618 /nfs/dbraw/zinc/65/66/18/353656618.db2.gz PEBGVYVAUTZZAP-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000324304380 540007849 /nfs/dbraw/zinc/00/78/49/540007849.db2.gz LJOUOKKZHFKMHC-INIZCTEOSA-N 2 0 259.397 2.829 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)CC1(C)C ZINC000623525692 353663384 /nfs/dbraw/zinc/66/33/84/353663384.db2.gz XTIBLFLICMKWNI-HSOILSAZSA-N 2 0 264.335 2.790 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)C2CCCCC2)CC1(C)C ZINC000623534137 353665635 /nfs/dbraw/zinc/66/56/35/353665635.db2.gz ZEPQXCOWQCVYCM-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623544057 353668062 /nfs/dbraw/zinc/66/80/62/353668062.db2.gz KKULERALTAAPOD-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)CC1(C)C ZINC000623551972 353669403 /nfs/dbraw/zinc/66/94/03/353669403.db2.gz PNRJEWXFIDCMTP-HNNXBMFYSA-N 2 0 275.440 2.822 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccn1 ZINC000623558123 353671088 /nfs/dbraw/zinc/67/10/88/353671088.db2.gz QZGSFMJKAXTWOZ-MOPGFXCFSA-N 2 0 295.430 2.825 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cc3ccccc3[nH]c2=O)C1 ZINC000623656074 353697007 /nfs/dbraw/zinc/69/70/07/353697007.db2.gz MJTNSDSZDOJADO-CQSZACIVSA-N 2 0 299.418 2.762 20 0 CFADRP COc1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1F ZINC000623656125 353697266 /nfs/dbraw/zinc/69/72/66/353697266.db2.gz NSHJQXICKALBCJ-AWEZNQCLSA-N 2 0 280.387 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC1(C)C ZINC000623494391 353656516 /nfs/dbraw/zinc/65/65/16/353656516.db2.gz OSUUPCXDYOFULT-ZMSDIMECSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000675763408 540008612 /nfs/dbraw/zinc/00/86/12/540008612.db2.gz NBNZMNJDBYXCQW-UONOGXRCSA-N 2 0 294.414 2.913 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCCO1)[NH+]1CCCCC1 ZINC000623959485 353769801 /nfs/dbraw/zinc/76/98/01/353769801.db2.gz RSMFTQWRXXYMLI-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCO1 ZINC000624017420 353786093 /nfs/dbraw/zinc/78/60/93/353786093.db2.gz ZXFVDMXFONONJT-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nccn1CCC[NH2+][C@H]1CCCc2scnc21 ZINC000623868028 353744259 /nfs/dbraw/zinc/74/42/59/353744259.db2.gz RPKRLBRZAMRSDN-LBPRGKRZSA-N 2 0 276.409 2.705 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CO2 ZINC000624072086 353797754 /nfs/dbraw/zinc/79/77/54/353797754.db2.gz TYDGWQKYWSXQDJ-ZBFHGGJFSA-N 2 0 288.435 2.618 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCOCC1 ZINC000624121570 353810725 /nfs/dbraw/zinc/81/07/25/353810725.db2.gz YDITUPVXNJXYRP-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122575 353811936 /nfs/dbraw/zinc/81/19/36/353811936.db2.gz VWFGPNGOOFXTQQ-HRCADAONSA-N 2 0 282.472 2.900 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122057 353811954 /nfs/dbraw/zinc/81/19/54/353811954.db2.gz IXABSEAKRGIURK-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624123608 353812678 /nfs/dbraw/zinc/81/26/78/353812678.db2.gz PIIONCMJQYRDKA-DZGCQCFKSA-N 2 0 250.386 2.532 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624124020 353812736 /nfs/dbraw/zinc/81/27/36/353812736.db2.gz VQQAHFTYWGRUQX-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000624124171 353812746 /nfs/dbraw/zinc/81/27/46/353812746.db2.gz YYFXURLVTQUKLF-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000624123372 353812871 /nfs/dbraw/zinc/81/28/71/353812871.db2.gz KXGUIKPMYYBRAW-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000624123585 353812972 /nfs/dbraw/zinc/81/29/72/353812972.db2.gz OONNVIZRUJJJGE-DOTOQJQBSA-N 2 0 287.451 2.651 20 0 CFADRP CN1CCOC[C@H]1CNc1ccnc2cc(Cl)ccc21 ZINC000624619042 353914053 /nfs/dbraw/zinc/91/40/53/353914053.db2.gz SFXZRGQDSCYYPH-GFCCVEGCSA-N 2 0 291.782 2.631 20 0 CFADRP CCO[C@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CC1 ZINC000625134285 353981454 /nfs/dbraw/zinc/98/14/54/353981454.db2.gz CLZZTDHIGGHKSD-QGZVFWFLSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625836879 354123521 /nfs/dbraw/zinc/12/35/21/354123521.db2.gz OENOXJSLZPQFJE-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423473892 283005571 /nfs/dbraw/zinc/00/55/71/283005571.db2.gz GYJDACRGHFBXLT-GOEBONIOSA-N 2 0 262.372 2.935 20 0 CFADRP C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000628140646 354444225 /nfs/dbraw/zinc/44/42/25/354444225.db2.gz SGCVKQSXOBEDMK-OAHLLOKOSA-N 2 0 271.408 2.942 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000628201832 354474067 /nfs/dbraw/zinc/47/40/67/354474067.db2.gz XGRQTZOYDTYJSR-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000628201977 354474122 /nfs/dbraw/zinc/47/41/22/354474122.db2.gz CLPWSTCMFIJXDT-QZTJIDSGSA-N 2 0 295.515 2.820 20 0 CFADRP Cc1nc(C)c(C[NH2+]C(C)(C)CCC[NH+](C)C)o1 ZINC000628299205 354527976 /nfs/dbraw/zinc/52/79/76/354527976.db2.gz GTYAZLWWGDKNAT-UHFFFAOYSA-N 2 0 253.390 2.501 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCCS1 ZINC000628308579 354535454 /nfs/dbraw/zinc/53/54/54/354535454.db2.gz XEIUXEJJDMKNPZ-CQSZACIVSA-N 2 0 261.394 2.710 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628308926 354535885 /nfs/dbraw/zinc/53/58/85/354535885.db2.gz RCEBNMJBTHFRCM-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628229910 354488789 /nfs/dbraw/zinc/48/87/89/354488789.db2.gz LYFBGGRFAIQMIA-UHFFFAOYSA-N 2 0 277.412 2.762 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000628232835 354491538 /nfs/dbraw/zinc/49/15/38/354491538.db2.gz PZDCXTJODQLOIF-MSOLQXFVSA-N 2 0 295.515 2.820 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000628240427 354497808 /nfs/dbraw/zinc/49/78/08/354497808.db2.gz DRZWIWIUZYALLZ-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](C[C@@]3(C)CCCS3)C2)CC1 ZINC000628280030 354518019 /nfs/dbraw/zinc/51/80/19/354518019.db2.gz MHMSKHRMFRCAFF-HZPDHXFCSA-N 2 0 282.497 2.936 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000628296015 354525890 /nfs/dbraw/zinc/52/58/90/354525890.db2.gz SNCHGTRJALVQTA-UHFFFAOYSA-N 2 0 265.401 2.647 20 0 CFADRP C[C@@]1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCCS1 ZINC000628353032 354562978 /nfs/dbraw/zinc/56/29/78/354562978.db2.gz FBXATSKHTKIMBL-HOTGVXAUSA-N 2 0 282.497 2.984 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000629388649 354799208 /nfs/dbraw/zinc/79/92/08/354799208.db2.gz RECXXRBVLAMVEY-HZPDHXFCSA-N 2 0 292.398 2.559 20 0 CFADRP CC(C)(C)C1CCC(C[NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629388738 354799373 /nfs/dbraw/zinc/79/93/73/354799373.db2.gz SKNOFPIPEITYJS-UHFFFAOYSA-N 2 0 282.472 2.936 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629389446 354800246 /nfs/dbraw/zinc/80/02/46/354800246.db2.gz XQUOCGVFAVVMJM-CQSZACIVSA-N 2 0 268.445 2.833 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629389483 354800560 /nfs/dbraw/zinc/80/05/60/354800560.db2.gz YMMGVAHJAFRGEG-SJORKVTESA-N 2 0 288.435 2.729 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)C1 ZINC000629395521 354801259 /nfs/dbraw/zinc/80/12/59/354801259.db2.gz DXTGECJBDSNKSG-ATLSCFEFSA-N 2 0 293.499 2.760 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000629402750 354804371 /nfs/dbraw/zinc/80/43/71/354804371.db2.gz DWABBGOJPANBLN-LSDHHAIUSA-N 2 0 270.461 2.807 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000629531430 354833987 /nfs/dbraw/zinc/83/39/87/354833987.db2.gz KWAHGWQRYSSDPN-HOCLYGCPSA-N 2 0 296.842 2.802 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCc2ccccc2CC1 ZINC000629514723 354825105 /nfs/dbraw/zinc/82/51/05/354825105.db2.gz NYBKDCMNZXGRQY-SFHVURJKSA-N 2 0 290.451 2.525 20 0 CFADRP CCC[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)OCC ZINC000629516140 354825895 /nfs/dbraw/zinc/82/58/95/354825895.db2.gz XTAJIXCAPJNFME-DOMZBBRYSA-N 2 0 279.428 2.705 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522221 354827567 /nfs/dbraw/zinc/82/75/67/354827567.db2.gz XYRYUTNOWHSWRH-DLBZAZTESA-N 2 0 288.435 2.969 20 0 CFADRP CCC[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CCCCC1 ZINC000629521351 354827822 /nfs/dbraw/zinc/82/78/22/354827822.db2.gz NCOGOEXOOGHBSZ-OAHLLOKOSA-N 2 0 268.445 2.833 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000629523983 354828613 /nfs/dbraw/zinc/82/86/13/354828613.db2.gz PBFSAZDVLVTQOM-ZIAGYGMSSA-N 2 0 261.413 2.527 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629523797 354828880 /nfs/dbraw/zinc/82/88/80/354828880.db2.gz JDYAVSDLOYXAIP-KRWDZBQOSA-N 2 0 290.451 2.741 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000629527766 354832277 /nfs/dbraw/zinc/83/22/77/354832277.db2.gz FDCWWOSWCZLHAV-IXDOHACOSA-N 2 0 258.409 2.664 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000629529261 354832530 /nfs/dbraw/zinc/83/25/30/354832530.db2.gz WVUAPAMIVBUIJE-HNNXBMFYSA-N 2 0 299.418 2.635 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)CC[NH2+]1 ZINC000629650370 354876113 /nfs/dbraw/zinc/87/61/13/354876113.db2.gz SQEBGFIIOUSDIC-FDYHWXHSSA-N 2 0 260.372 2.598 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629652307 354877369 /nfs/dbraw/zinc/87/73/69/354877369.db2.gz ZITRQWCISQRTPW-CZUORRHYSA-N 2 0 272.392 2.522 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000629536893 354835567 /nfs/dbraw/zinc/83/55/67/354835567.db2.gz JHZCVOCCTOCBBJ-XHSDSOJGSA-N 2 0 280.456 2.641 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000629535488 354835635 /nfs/dbraw/zinc/83/56/35/354835635.db2.gz DQIIAVFFSAMIMA-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629534925 354835924 /nfs/dbraw/zinc/83/59/24/354835924.db2.gz BYVRSCTZXORVFU-LLVKDONJSA-N 2 0 290.329 2.721 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])c2sccc21 ZINC000629537442 354836545 /nfs/dbraw/zinc/83/65/45/354836545.db2.gz JIDZWMPTJDCKTB-YPMHNXCESA-N 2 0 268.426 2.642 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])c2sccc21 ZINC000629537437 354836572 /nfs/dbraw/zinc/83/65/72/354836572.db2.gz JIDZWMPTJDCKTB-DGCLKSJQSA-N 2 0 268.426 2.642 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539431 354837565 /nfs/dbraw/zinc/83/75/65/354837565.db2.gz RFPKVDKADOWMBY-CABCVRRESA-N 2 0 256.434 2.546 20 0 CFADRP Cc1ccc([C@H]([NH2+]CCOCCC[NH3+])C2CCC2)cc1 ZINC000629539015 354837640 /nfs/dbraw/zinc/83/76/40/354837640.db2.gz OSVIIDFMDGOWIG-QGZVFWFLSA-N 2 0 276.424 2.791 20 0 CFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCOCCC[NH3+])CCS2 ZINC000629538850 354837714 /nfs/dbraw/zinc/83/77/14/354837714.db2.gz OBQPXXOGCRGOSI-OAHLLOKOSA-N 2 0 294.464 2.795 20 0 CFADRP Cc1cc([C@H]([NH2+]CCOCCC[NH3+])C2CC2)ccc1F ZINC000629539851 354838719 /nfs/dbraw/zinc/83/87/19/354838719.db2.gz RPCWEFLHUXYIAO-MRXNPFEDSA-N 2 0 280.387 2.540 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000629540127 354838904 /nfs/dbraw/zinc/83/89/04/354838904.db2.gz UNZUTOOGNJNJFB-GOEBONIOSA-N 2 0 296.842 2.931 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CN1 ZINC000629542410 354839453 /nfs/dbraw/zinc/83/94/53/354839453.db2.gz ZBCCKBALGZPSCL-UJEKJILKSA-N 2 0 280.456 2.987 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629550296 354844976 /nfs/dbraw/zinc/84/49/76/354844976.db2.gz LBASVCVSLDKZRI-QGZVFWFLSA-N 2 0 299.418 2.592 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551539 354845059 /nfs/dbraw/zinc/84/50/59/354845059.db2.gz UZUMDJXEOCASLX-WDEREUQCSA-N 2 0 264.335 2.826 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NCc1ccccc1CC(F)(F)F ZINC000629555199 354845749 /nfs/dbraw/zinc/84/57/49/354845749.db2.gz RSDIYMNYGDHCGP-QWHCGFSZSA-N 2 0 272.314 2.761 20 0 CFADRP FC1(F)CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000629560452 354847619 /nfs/dbraw/zinc/84/76/19/354847619.db2.gz ZLOBXPLWGXGULZ-UHFFFAOYSA-N 2 0 280.362 2.954 20 0 CFADRP C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000629573273 354849126 /nfs/dbraw/zinc/84/91/26/354849126.db2.gz DBBSMMCREVPBTN-LBPRGKRZSA-N 2 0 280.362 2.952 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629669249 354884756 /nfs/dbraw/zinc/88/47/56/354884756.db2.gz VTFJMPWHFPZMOK-RRQGHBQHSA-N 2 0 276.399 2.861 20 0 CFADRP [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccncc2)cc1 ZINC000629691594 354894760 /nfs/dbraw/zinc/89/47/60/354894760.db2.gz YINWSJPKIYPRRK-QGZVFWFLSA-N 2 0 267.376 2.672 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000629706131 354902618 /nfs/dbraw/zinc/90/26/18/354902618.db2.gz DJNOSTXPTNBPHW-UHFFFAOYSA-N 2 0 284.407 2.536 20 0 CFADRP Cc1oncc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629713974 354906747 /nfs/dbraw/zinc/90/67/47/354906747.db2.gz YOJHLUJKQUFGDA-UHFFFAOYSA-N 2 0 271.364 2.573 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000340285800 283062374 /nfs/dbraw/zinc/06/23/74/283062374.db2.gz CBRUQUUGTBFLCQ-ROUUACIJSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000630072739 354996102 /nfs/dbraw/zinc/99/61/02/354996102.db2.gz YTRIZTAZBOHEMD-KRWDZBQOSA-N 2 0 258.409 2.857 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000333326867 540074982 /nfs/dbraw/zinc/07/49/82/540074982.db2.gz VLPLBASPZDFMON-QLFBSQMISA-N 2 0 276.428 2.891 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1C ZINC000270662485 540097883 /nfs/dbraw/zinc/09/78/83/540097883.db2.gz PEYPZDVOASJLFI-INIZCTEOSA-N 2 0 276.424 2.777 20 0 CFADRP FC(F)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000631039319 355259719 /nfs/dbraw/zinc/25/97/19/355259719.db2.gz DYOBPMMWTWHKJY-LBPRGKRZSA-N 2 0 281.350 2.593 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1F ZINC000271889244 191391798 /nfs/dbraw/zinc/39/17/98/191391798.db2.gz ROEIZROCHAYKRU-LBPRGKRZSA-N 2 0 278.371 2.747 20 0 CFADRP O=c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c[nH]1 ZINC000631056753 355268395 /nfs/dbraw/zinc/26/83/95/355268395.db2.gz QWQDEEMOGYLUHV-UHFFFAOYSA-N 2 0 289.423 2.531 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(CO)c1 ZINC000271843463 191362489 /nfs/dbraw/zinc/36/24/89/191362489.db2.gz BVVWPJJLRLRNTE-CQSZACIVSA-N 2 0 288.435 2.846 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2ccnn2CC2CCC2)C1 ZINC000631180145 355334988 /nfs/dbraw/zinc/33/49/88/355334988.db2.gz CUNOKMCKHUADLP-INIZCTEOSA-N 2 0 290.455 2.505 20 0 CFADRP FC(F)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000631121100 355302578 /nfs/dbraw/zinc/30/25/78/355302578.db2.gz OOQJEMHMMAZBIJ-UHFFFAOYSA-N 2 0 295.377 2.983 20 0 CFADRP C[C@H](CC1CCC1)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000631249692 355373267 /nfs/dbraw/zinc/37/32/67/355373267.db2.gz CHXWTUGISJAXNC-CYBMUJFWSA-N 2 0 270.380 2.936 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCOCC1 ZINC000631195757 355342800 /nfs/dbraw/zinc/34/28/00/355342800.db2.gz JIORZVHPWUAILU-NVXWUHKLSA-N 2 0 288.435 2.523 20 0 CFADRP CCC[C@H](CCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000631197901 355345426 /nfs/dbraw/zinc/34/54/26/355345426.db2.gz FXEVERDKRXEOAQ-OAHLLOKOSA-N 2 0 282.472 2.924 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000631570020 355492344 /nfs/dbraw/zinc/49/23/44/355492344.db2.gz PNZPQHLEYMTTRF-JKIFEVAISA-N 2 0 271.408 2.675 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631577103 355496285 /nfs/dbraw/zinc/49/62/85/355496285.db2.gz GBKFSVFIPLRWRF-QAETUUGQSA-N 2 0 292.467 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631650978 355533302 /nfs/dbraw/zinc/53/33/02/355533302.db2.gz GZNRAPBLZNZJQR-WMLDXEAASA-N 2 0 273.424 2.781 20 0 CFADRP FC1(F)CC[C@@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)C1 ZINC000631820902 355595302 /nfs/dbraw/zinc/59/53/02/355595302.db2.gz JWFHWYAWCONEPS-LLVKDONJSA-N 2 0 258.356 2.638 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000631821709 355595600 /nfs/dbraw/zinc/59/56/00/355595600.db2.gz GQPOZDFBGJTXDI-ZFWWWQNUSA-N 2 0 261.413 2.566 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000631823165 355595842 /nfs/dbraw/zinc/59/58/42/355595842.db2.gz XSSUEAGKWFWENK-SJLPKXTDSA-N 2 0 287.451 2.971 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000631827644 355597645 /nfs/dbraw/zinc/59/76/45/355597645.db2.gz SGPCQFYIEKGCOB-IHRRRGAJSA-N 2 0 272.383 2.886 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889597 355615789 /nfs/dbraw/zinc/61/57/89/355615789.db2.gz IAKPSDPYTDGJQE-IAGOWNOFSA-N 2 0 288.435 2.702 20 0 CFADRP CCn1nc(C)c(C[N@H+](C)CCCC2CC[NH2+]CC2)c1C ZINC000631835317 355599075 /nfs/dbraw/zinc/59/90/75/355599075.db2.gz RSVKJFXNKBEBBW-UHFFFAOYSA-N 2 0 292.471 2.731 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(CCF)CC2)cc1 ZINC000631836753 355600287 /nfs/dbraw/zinc/60/02/87/355600287.db2.gz GJBSBGKHDWQJAL-MRXNPFEDSA-N 2 0 294.414 2.809 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839399 355601203 /nfs/dbraw/zinc/60/12/03/355601203.db2.gz FYZGVJOFWDHPDY-NQBHXWOUSA-N 2 0 284.350 2.876 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000631838073 355601470 /nfs/dbraw/zinc/60/14/70/355601470.db2.gz ZSYBCIGFTHSEGC-KRWDZBQOSA-N 3 0 293.499 2.717 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839400 355601918 /nfs/dbraw/zinc/60/19/18/355601918.db2.gz FYZGVJOFWDHPDY-NTZNESFSSA-N 2 0 284.350 2.876 20 0 CFADRP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839642 355602539 /nfs/dbraw/zinc/60/25/39/355602539.db2.gz IZFIBHXAXLGEJM-IJLUTSLNSA-N 2 0 252.789 2.928 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C[NH3+] ZINC000631842008 355603963 /nfs/dbraw/zinc/60/39/63/355603963.db2.gz SXAYNOACWXKGRE-DGCLKSJQSA-N 2 0 289.354 2.507 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CN1CCc1ccc2ccccc2c1 ZINC000631859498 355606550 /nfs/dbraw/zinc/60/65/50/355606550.db2.gz BBWKCPCYJJYSGF-SUMWQHHRSA-N 2 0 254.377 2.804 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000631872738 355610471 /nfs/dbraw/zinc/61/04/71/355610471.db2.gz FGRIJXHRJDWGRO-GOEBONIOSA-N 2 0 250.430 2.888 20 0 CFADRP Fc1cccc(O[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000631879165 355611662 /nfs/dbraw/zinc/61/16/62/355611662.db2.gz MOAWVZAKXSRMAD-QGZVFWFLSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000631740741 355571596 /nfs/dbraw/zinc/57/15/96/355571596.db2.gz FHSMCGCSGNFTQD-IWCQGFGOSA-N 2 0 280.456 2.533 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C1(CC)CC ZINC000567259725 290451148 /nfs/dbraw/zinc/45/11/48/290451148.db2.gz VUJNPHMNXBVMJB-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631891060 355617031 /nfs/dbraw/zinc/61/70/31/355617031.db2.gz VRGBFCIMEWRJLS-HUUCEWRRSA-N 2 0 264.438 2.755 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000353985789 283134180 /nfs/dbraw/zinc/13/41/80/283134180.db2.gz FEHLUZSXRPBGBU-SDDRHHMPSA-N 2 0 276.346 2.791 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000453313540 540227669 /nfs/dbraw/zinc/22/76/69/540227669.db2.gz HXXGGRNYCXQBHI-DJIMGWMZSA-N 2 0 290.451 2.961 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000680469796 540226490 /nfs/dbraw/zinc/22/64/90/540226490.db2.gz WAXSKPJZBDTNKI-LBPRGKRZSA-N 2 0 299.484 2.769 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335918099 283170272 /nfs/dbraw/zinc/17/02/72/283170272.db2.gz GSJHCGOSVDFHGH-CVEARBPZSA-N 2 0 278.440 2.506 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000334846837 540253988 /nfs/dbraw/zinc/25/39/88/540253988.db2.gz ROBOADJIGVPBFI-STQMWFEESA-N 2 0 262.328 2.931 20 0 CFADRP CC(C)=CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298149985 535357364 /nfs/dbraw/zinc/35/73/64/535357364.db2.gz RMJFFLDLELEVCY-UHFFFAOYSA-N 2 0 259.397 2.996 20 0 CFADRP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c[nH]1 ZINC000175715390 188963451 /nfs/dbraw/zinc/96/34/51/188963451.db2.gz IFSTYNPVMLSTGT-UHFFFAOYSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071872 540282147 /nfs/dbraw/zinc/28/21/47/540282147.db2.gz UFSMBKVCMWQVNQ-QZWWFDLISA-N 2 0 280.456 2.798 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339076627 540282672 /nfs/dbraw/zinc/28/26/72/540282672.db2.gz VTXIZQIQPPWMGT-SJORKVTESA-N 2 0 273.424 2.705 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000339068782 540283697 /nfs/dbraw/zinc/28/36/97/540283697.db2.gz NEVNTVFARUNFKR-JENIJYKNSA-N 2 0 299.462 2.872 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2scnc2C2CC2)C1 ZINC000459725149 540317571 /nfs/dbraw/zinc/31/75/71/540317571.db2.gz BAWHKGOBEKIRIY-LBPRGKRZSA-N 2 0 279.453 2.842 20 0 CFADRP CCC[NH+]1CCC(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000151081175 540353870 /nfs/dbraw/zinc/35/38/70/540353870.db2.gz DIJJYTSVMPQIPA-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222049448 540360004 /nfs/dbraw/zinc/36/00/04/540360004.db2.gz HIJMTCDSORABGE-GMTAPVOTSA-N 2 0 250.308 2.544 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(C)c1 ZINC000643467603 540375305 /nfs/dbraw/zinc/37/53/05/540375305.db2.gz ZZMXFGNVZPKNKD-HZPDHXFCSA-N 2 0 262.397 2.753 20 0 CFADRP C[C@@H](C[NH2+]CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000294631592 199115203 /nfs/dbraw/zinc/11/52/03/199115203.db2.gz ALMYCJPYVQDRFK-NSHDSACASA-N 2 0 256.340 2.610 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(Cl)c1 ZINC000235691258 540381073 /nfs/dbraw/zinc/38/10/73/540381073.db2.gz CRLPHPIQSGHWNQ-NWDGAFQWSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C ZINC000228177856 540384950 /nfs/dbraw/zinc/38/49/50/540384950.db2.gz FWELIOSIYHRITR-CVEARBPZSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)O1 ZINC000294835578 199205357 /nfs/dbraw/zinc/20/53/57/199205357.db2.gz STILVTIIXHCGJO-RVKKMQEKSA-N 2 0 288.435 2.938 20 0 CFADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000294867675 199222447 /nfs/dbraw/zinc/22/24/47/199222447.db2.gz DOFNXBRSVNLPFJ-MSOLQXFVSA-N 2 0 290.451 2.518 20 0 CFADRP Cc1cccc(NC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420309244 236610478 /nfs/dbraw/zinc/61/04/78/236610478.db2.gz DTLMBAFLXCNROV-MRXNPFEDSA-N 2 0 287.451 2.871 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)OC)CC1 ZINC000294934454 199257774 /nfs/dbraw/zinc/25/77/74/199257774.db2.gz ZTYBMHZZGMWLNK-SFHVURJKSA-N 2 0 290.451 2.708 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452395 540429210 /nfs/dbraw/zinc/42/92/10/540429210.db2.gz BXYPMDPSDUSWOT-NRSFXHEJSA-N 2 0 270.420 2.837 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(O)cc2)C1 ZINC000237553232 540434309 /nfs/dbraw/zinc/43/43/09/540434309.db2.gz PBVYFEQMFPJCMM-HUUCEWRRSA-N 2 0 276.424 2.850 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878036 299289251 /nfs/dbraw/zinc/28/92/51/299289251.db2.gz IRTDOWJXQWZOCL-ULQDDVLXSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000037714894 299289114 /nfs/dbraw/zinc/28/91/14/299289114.db2.gz GPLPNSOMJBCOQN-AXQFOSQISA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000158578593 299290133 /nfs/dbraw/zinc/29/01/33/299290133.db2.gz VPMBEENAXNMOQZ-JYJNAYRXSA-N 2 0 292.471 2.829 20 0 CFADRP Fc1cnccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000678788009 540480480 /nfs/dbraw/zinc/48/04/80/540480480.db2.gz BXCVBEMAANDBIM-UHFFFAOYSA-N 2 0 285.366 2.933 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037713430 299291248 /nfs/dbraw/zinc/29/12/48/299291248.db2.gz SSTKDQRBENJPHS-VIFPVBQESA-N 2 0 262.275 2.585 20 0 CFADRP c1ccc(OCCCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422560804 237103879 /nfs/dbraw/zinc/10/38/79/237103879.db2.gz HQLLYJKOHDVVKB-UHFFFAOYSA-N 2 0 274.408 2.674 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000422642374 237117218 /nfs/dbraw/zinc/11/72/18/237117218.db2.gz ZLMKNYVVXAVFCB-HZSPNIEDSA-N 2 0 280.387 2.510 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694470 237118749 /nfs/dbraw/zinc/11/87/49/237118749.db2.gz OEBPVSOHGVUHNJ-XHDPSFHLSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccccc1C(F)(F)F ZINC000422730701 237146019 /nfs/dbraw/zinc/14/60/19/237146019.db2.gz FHOUJVCMDNBJDD-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422730849 237146096 /nfs/dbraw/zinc/14/60/96/237146096.db2.gz KNIYVPFTNFHYLN-ROUUACIJSA-N 2 0 298.434 2.681 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422702568 237123171 /nfs/dbraw/zinc/12/31/71/237123171.db2.gz LBDYREPUWBJVGM-KGLIPLIRSA-N 2 0 286.423 2.745 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000422742729 237156375 /nfs/dbraw/zinc/15/63/75/237156375.db2.gz GZIYAJFQYDWHKC-SOLBZPMBSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000422706628 237126191 /nfs/dbraw/zinc/12/61/91/237126191.db2.gz UQWONOWEIDVCOO-DOPJRALCSA-N 2 0 284.403 2.682 20 0 CFADRP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1)C1C[NH2+]C1 ZINC000422704859 237126206 /nfs/dbraw/zinc/12/62/06/237126206.db2.gz QLGVPMRWLRQYGM-NSHDSACASA-N 2 0 298.352 2.935 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422711339 237129357 /nfs/dbraw/zinc/12/93/57/237129357.db2.gz MNUWQNWVNNMYLW-LBPRGKRZSA-N 2 0 252.377 2.820 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(Br)s1 ZINC000422717067 237131862 /nfs/dbraw/zinc/13/18/62/237131862.db2.gz OCSRFHUIQMFTHR-RKDXNWHRSA-N 2 0 291.258 2.769 20 0 CFADRP c1nc([C@H]2CCC[N@@H+]([C@@H]3CCCOC3)C2)n2c1CCCC2 ZINC000669694762 540511614 /nfs/dbraw/zinc/51/16/14/540511614.db2.gz CXYHHDHXXHLDPK-GOEBONIOSA-N 2 0 289.423 2.578 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000422726022 237136915 /nfs/dbraw/zinc/13/69/15/237136915.db2.gz YYQPPDKLPAASIJ-ROUUACIJSA-N 2 0 290.451 2.743 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000422726369 237138385 /nfs/dbraw/zinc/13/83/85/237138385.db2.gz DSORMKXYSUHRTC-RRFJBIMHSA-N 2 0 277.456 2.831 20 0 CFADRP C[C@H]([NH2+]CCCSc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422766920 237183508 /nfs/dbraw/zinc/18/35/08/237183508.db2.gz RMXMJLPFFXOJFS-NSHDSACASA-N 2 0 268.401 2.505 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770724 237186399 /nfs/dbraw/zinc/18/63/99/237186399.db2.gz XBJABHZNBHIFQN-KCQAQPDRSA-N 2 0 279.403 2.510 20 0 CFADRP c1cc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)ccn1 ZINC000422775045 237190542 /nfs/dbraw/zinc/19/05/42/237190542.db2.gz ZOWPOSGGNIRYBV-GOSISDBHSA-N 2 0 281.403 2.980 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422773835 237190894 /nfs/dbraw/zinc/19/08/94/237190894.db2.gz ZJSKLUVBEFISFU-HIFRSBDPSA-N 2 0 266.816 2.990 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422746327 237157716 /nfs/dbraw/zinc/15/77/16/237157716.db2.gz ZHHFUMTUFFDNLC-OWCLPIDISA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422752351 237165099 /nfs/dbraw/zinc/16/50/99/237165099.db2.gz DWENGSOGUMFVCF-DNLWUEFJSA-N 2 0 293.499 2.616 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000422754437 237168318 /nfs/dbraw/zinc/16/83/18/237168318.db2.gz FWHAZZXYXWDSNA-UWVGGRQHSA-N 2 0 271.202 2.665 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422754347 237169480 /nfs/dbraw/zinc/16/94/80/237169480.db2.gz JMMMNKAQYMNCRL-CQSZACIVSA-N 2 0 299.418 2.887 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000422773750 237191678 /nfs/dbraw/zinc/19/16/78/237191678.db2.gz UXIGYAJXXLUHQJ-UONOGXRCSA-N 2 0 268.401 2.528 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCSc1ccccc1 ZINC000422759948 237176390 /nfs/dbraw/zinc/17/63/90/237176390.db2.gz PPVGYRCVDICIQQ-STQMWFEESA-N 2 0 252.427 2.884 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1F ZINC000422763573 237179345 /nfs/dbraw/zinc/17/93/45/237179345.db2.gz OWBCSECPNKTHGQ-LLVKDONJSA-N 2 0 273.355 2.839 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422762649 237179574 /nfs/dbraw/zinc/17/95/74/237179574.db2.gz SIOODOJHRXDSAC-DZGCQCFKSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000422797590 237220221 /nfs/dbraw/zinc/22/02/21/237220221.db2.gz NMXQJLGNXQMIEB-NEXGVSGLSA-N 2 0 280.456 2.687 20 0 CFADRP CC[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251711299 540549912 /nfs/dbraw/zinc/54/99/12/540549912.db2.gz JNFNVPUPROBCDD-IUODEOHRSA-N 2 0 282.428 2.977 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2F)CC[C@H]1[NH3+] ZINC000251726338 540550437 /nfs/dbraw/zinc/55/04/37/540550437.db2.gz KEMVVDUYXCSORM-YWPYICTPSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422774273 237192744 /nfs/dbraw/zinc/19/27/44/237192744.db2.gz WKMVKEBUPMBFHD-VXGBXAGGSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000422776093 237195785 /nfs/dbraw/zinc/19/57/85/237195785.db2.gz CEWDJQQMIFYACK-UHFFFAOYSA-N 2 0 269.392 2.842 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422780931 237199411 /nfs/dbraw/zinc/19/94/11/237199411.db2.gz LATKOBRKOPFRSP-KCQAQPDRSA-N 2 0 262.397 2.734 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422782556 237201450 /nfs/dbraw/zinc/20/14/50/237201450.db2.gz GOZVSMPNKRUMNC-ZIAGYGMSSA-N 2 0 282.453 2.511 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CCO)c2ccccc2)c2ccccc21 ZINC000422781868 237203570 /nfs/dbraw/zinc/20/35/70/237203570.db2.gz LGJNCQXMYREMFK-IPELMVKDSA-N 2 0 296.414 2.887 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1F ZINC000422784373 237204315 /nfs/dbraw/zinc/20/43/15/237204315.db2.gz LXSNMJPJEHDTOV-VWYCJHECSA-N 2 0 254.349 2.611 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422783585 237206340 /nfs/dbraw/zinc/20/63/40/237206340.db2.gz OLAAZIIDQKTDOR-CHWSQXEVSA-N 2 0 250.386 2.863 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422789640 237211778 /nfs/dbraw/zinc/21/17/78/237211778.db2.gz OQUUCVDKFASSFY-QLFBSQMISA-N 2 0 292.423 2.712 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422792829 237215291 /nfs/dbraw/zinc/21/52/91/237215291.db2.gz ZOZITBHLQRYEEK-QWHCGFSZSA-N 2 0 250.386 2.863 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cs1 ZINC000422819577 237248828 /nfs/dbraw/zinc/24/88/28/237248828.db2.gz NMDPOESYVPVVTL-LRDDRELGSA-N 2 0 289.448 2.542 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836863 237262908 /nfs/dbraw/zinc/26/29/08/237262908.db2.gz KSGHTBKHRGJIQS-BJJXKVORSA-N 2 0 293.842 2.636 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422833408 237260142 /nfs/dbraw/zinc/26/01/42/237260142.db2.gz GTRKUMDQEHRCPZ-YWPYICTPSA-N 2 0 264.438 2.732 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000422806439 237231239 /nfs/dbraw/zinc/23/12/39/237231239.db2.gz KRENWEHXKDWCLU-IRXDYDNUSA-N 2 0 296.430 2.736 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(F)ccc2C)CC[C@H]1[NH3+] ZINC000252979492 540572201 /nfs/dbraw/zinc/57/22/01/540572201.db2.gz ICGCPPSFABEFJX-SWLSCSKDSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422812636 237240759 /nfs/dbraw/zinc/24/07/59/237240759.db2.gz YAGNPPGVNVXUAT-SZMVWBNQSA-N 2 0 287.451 2.554 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422864762 237286493 /nfs/dbraw/zinc/28/64/93/237286493.db2.gz VYDAHHUKYWQRKK-GDBMZVCRSA-N 2 0 260.425 2.990 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422881568 237303384 /nfs/dbraw/zinc/30/33/84/237303384.db2.gz YYLFIBCRNRWDNG-CYBMUJFWSA-N 2 0 250.386 2.611 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993865 540603808 /nfs/dbraw/zinc/60/38/08/540603808.db2.gz PJPDZXTZYNOZJV-OWCLPIDISA-N 2 0 279.472 2.562 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422885418 237305680 /nfs/dbraw/zinc/30/56/80/237305680.db2.gz YOOYGDDZEAAUKH-IRXDYDNUSA-N 2 0 288.435 2.513 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422887646 237310052 /nfs/dbraw/zinc/31/00/52/237310052.db2.gz LETFXJIRBWELAG-TUURBPCVSA-N 2 0 272.392 2.555 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000422913692 237337696 /nfs/dbraw/zinc/33/76/96/237337696.db2.gz ZDZJWZNTZMIRLP-KLHKWILBSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000422902332 237324918 /nfs/dbraw/zinc/32/49/18/237324918.db2.gz UHCHDOAQGIREBU-HTQZYQBOSA-N 2 0 277.231 2.726 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCCc1cccc(Cl)c1 ZINC000422944608 237374788 /nfs/dbraw/zinc/37/47/88/237374788.db2.gz LNEKFDNZCZVKEU-OAHLLOKOSA-N 2 0 284.831 2.616 20 0 CFADRP Cc1cccc(NCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000422923731 237357667 /nfs/dbraw/zinc/35/76/67/237357667.db2.gz WVSOQJBQYXNNMJ-CVEARBPZSA-N 2 0 282.391 2.536 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2cccc(F)c2)CC1 ZINC000422936332 237361776 /nfs/dbraw/zinc/36/17/76/237361776.db2.gz BKTCMCAGUFJAAM-LBPRGKRZSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422936240 237362722 /nfs/dbraw/zinc/36/27/22/237362722.db2.gz FGPRDJWMWLERHQ-LBPRGKRZSA-N 2 0 297.830 2.776 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422936733 237370062 /nfs/dbraw/zinc/37/00/62/237370062.db2.gz FXRRTANIFOECIL-HOTGVXAUSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OC1CCC1 ZINC000422914376 237341440 /nfs/dbraw/zinc/34/14/40/237341440.db2.gz TXAAVLXUKZJIER-STQMWFEESA-N 2 0 262.397 2.833 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422916329 237346496 /nfs/dbraw/zinc/34/64/96/237346496.db2.gz ACOLZNRBNNNCKV-FVQBIDKESA-N 2 0 280.387 2.620 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297403422 200177775 /nfs/dbraw/zinc/17/77/75/200177775.db2.gz CHNIFBGSOAQGPT-KRWDZBQOSA-N 2 0 295.386 2.682 20 0 CFADRP Cc1cnc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000401028891 540640609 /nfs/dbraw/zinc/64/06/09/540640609.db2.gz LKLKBOPRKBBAOB-OAHLLOKOSA-N 2 0 275.440 2.561 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422949990 237377515 /nfs/dbraw/zinc/37/75/15/237377515.db2.gz WWQCXSJIQACYAF-KYNGSXCRSA-N 2 0 298.430 2.724 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422955103 237387751 /nfs/dbraw/zinc/38/77/51/237387751.db2.gz KWUCZPJPHGGXID-KBXCAEBGSA-N 2 0 299.418 2.887 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422954220 237388336 /nfs/dbraw/zinc/38/83/36/237388336.db2.gz HIGUWYLWHCZWPB-WDEREUQCSA-N 2 0 290.329 2.800 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422961832 237390600 /nfs/dbraw/zinc/39/06/00/237390600.db2.gz BDJSUVIBRHPHFH-SQWLQELKSA-N 2 0 278.440 2.504 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414794183 283479261 /nfs/dbraw/zinc/47/92/61/283479261.db2.gz FITDMGFCMLPKQJ-CQDKDKBSSA-N 2 0 264.800 2.524 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000037220954 540658887 /nfs/dbraw/zinc/65/88/87/540658887.db2.gz XZKUSQPDYQXPLY-CXAGYDPISA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000226346295 296000417 /nfs/dbraw/zinc/00/04/17/296000417.db2.gz JTZIHKHROGJIJC-HOTGVXAUSA-N 3 0 281.488 2.619 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000257658186 540661603 /nfs/dbraw/zinc/66/16/03/540661603.db2.gz FVWYHEXZGOSOQW-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422555734 296001502 /nfs/dbraw/zinc/00/15/02/296001502.db2.gz QZDBHMNCQHKEHD-ORBLRFAASA-N 3 0 281.488 2.760 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000063158994 283503554 /nfs/dbraw/zinc/50/35/54/283503554.db2.gz TWZFUEVTMGFOFD-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP Cn1cncc1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000297822511 200286243 /nfs/dbraw/zinc/28/62/43/200286243.db2.gz YYRDPSIAIBJOJV-UHFFFAOYSA-N 2 0 267.376 2.752 20 0 CFADRP C[C@@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422754811 296005811 /nfs/dbraw/zinc/00/58/11/296005811.db2.gz GEVSECWSDBVNCV-QWRGUYRKSA-N 2 0 297.240 2.578 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000261540631 283513199 /nfs/dbraw/zinc/51/31/99/283513199.db2.gz AICPAYCDEOAISM-OCCSQVGLSA-N 2 0 297.240 2.709 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000380944228 540692216 /nfs/dbraw/zinc/69/22/16/540692216.db2.gz BZMPTPHLJXVKAU-GDBMZVCRSA-N 2 0 276.424 2.700 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CC1 ZINC000405998471 540693382 /nfs/dbraw/zinc/69/33/82/540693382.db2.gz OPLSDCJMAQHIGO-HOCLYGCPSA-N 2 0 250.430 2.874 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000406055168 540693406 /nfs/dbraw/zinc/69/34/06/540693406.db2.gz JYNNBUJRMFLKSI-CFVMTHIKSA-N 2 0 250.430 2.872 20 0 CFADRP C[N@H+](Cc1ccc(-n2ccnc2)nc1)C(C1CC1)C1CC1 ZINC000177083649 189027459 /nfs/dbraw/zinc/02/74/59/189027459.db2.gz PBQOPUPPSXKIBF-UHFFFAOYSA-N 2 0 282.391 2.888 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CCC(C)(C)CC1 ZINC000382443732 540703838 /nfs/dbraw/zinc/70/38/38/540703838.db2.gz RBCQPHKMELRGDW-HNNXBMFYSA-N 2 0 270.461 2.588 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423255802 283543008 /nfs/dbraw/zinc/54/30/08/283543008.db2.gz ATZJUHOHIYMABL-UKRRQHHQSA-N 2 0 262.397 2.654 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000177733152 189066166 /nfs/dbraw/zinc/06/61/66/189066166.db2.gz AJLOJDAGXFWWLP-CYBMUJFWSA-N 2 0 286.423 2.641 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000177953534 189081630 /nfs/dbraw/zinc/08/16/30/189081630.db2.gz LSQWLQAFZYVIKW-HRCADAONSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000683345683 540752511 /nfs/dbraw/zinc/75/25/11/540752511.db2.gz IQGLKESLBQZSFN-LSDHHAIUSA-N 2 0 296.480 2.770 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000435876650 240363250 /nfs/dbraw/zinc/36/32/50/240363250.db2.gz JXEMWVNAKCNZHW-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000384139799 540778869 /nfs/dbraw/zinc/77/88/69/540778869.db2.gz YKBXTVDXKLDRBG-SUMWQHHRSA-N 2 0 258.409 2.953 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCCCCC[NH3+] ZINC000178829298 189148927 /nfs/dbraw/zinc/14/89/27/189148927.db2.gz AYAAWTQIVHYJOZ-UHFFFAOYSA-N 2 0 291.439 2.904 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414911100 540830379 /nfs/dbraw/zinc/83/03/79/540830379.db2.gz DLFARRRQBSUPEI-CVEARBPZSA-N 2 0 284.407 2.745 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122887 238212090 /nfs/dbraw/zinc/21/20/90/238212090.db2.gz LKECXXXZDIXRIJ-XOUADPBQSA-N 2 0 262.397 2.622 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122886 238212583 /nfs/dbraw/zinc/21/25/83/238212583.db2.gz LKECXXXZDIXRIJ-XNISGKROSA-N 2 0 262.397 2.622 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423120239 238212661 /nfs/dbraw/zinc/21/26/61/238212661.db2.gz GLXWIMBDTYAKKN-XHSDSOJGSA-N 2 0 282.472 2.950 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423122455 238212912 /nfs/dbraw/zinc/21/29/12/238212912.db2.gz CHDKNTJPVGZYBW-DLBZAZTESA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000414910493 540830601 /nfs/dbraw/zinc/83/06/01/540830601.db2.gz CXTHQAZZMPXWEI-OLZOCXBDSA-N 2 0 288.370 2.575 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414925198 540830969 /nfs/dbraw/zinc/83/09/69/540830969.db2.gz LLPWNIQZHYJGRR-LSDHHAIUSA-N 2 0 292.423 2.844 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414922017 540831153 /nfs/dbraw/zinc/83/11/53/540831153.db2.gz GAKSHHJISAKAGS-HOTGVXAUSA-N 2 0 284.407 2.745 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423126996 238218125 /nfs/dbraw/zinc/21/81/25/238218125.db2.gz BNPHHHXLUIOLCR-HILJTLORSA-N 2 0 288.435 2.522 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2c1 ZINC000414934020 540831759 /nfs/dbraw/zinc/83/17/59/540831759.db2.gz XOWYWBVLVNPFAV-STQMWFEESA-N 2 0 274.364 2.801 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)C1 ZINC000414937194 540831833 /nfs/dbraw/zinc/83/18/33/540831833.db2.gz ZWPBRRBXJSZLMS-RYUDHWBXSA-N 2 0 290.436 2.633 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415088366 540834142 /nfs/dbraw/zinc/83/41/42/540834142.db2.gz XIIBFAGCXUANOM-LSDHHAIUSA-N 2 0 276.424 2.606 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@H]3C[NH3+])C2)cc1F ZINC000423116790 238209156 /nfs/dbraw/zinc/20/91/56/238209156.db2.gz RNAXOUVSXSFTOA-YXWQFLTLSA-N 2 0 292.398 2.797 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000423118894 238210241 /nfs/dbraw/zinc/21/02/41/238210241.db2.gz APDHDJPXTYWPLM-TUKIKUTGSA-N 2 0 290.432 2.743 20 0 CFADRP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000423118483 238210913 /nfs/dbraw/zinc/21/09/13/238210913.db2.gz ATFPGFXVZSSJKY-NYJIRUKSSA-N 2 0 299.462 2.522 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423140536 238226330 /nfs/dbraw/zinc/22/63/30/238226330.db2.gz YXBAHENKOUIADV-IWCQGFGOSA-N 2 0 258.409 2.910 20 0 CFADRP CCN(CCC[NH2+]C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000435884761 240366468 /nfs/dbraw/zinc/36/64/68/240366468.db2.gz WSEYIWCPLMWNPL-FUHWJXTLSA-N 2 0 289.467 2.753 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423155648 238238166 /nfs/dbraw/zinc/23/81/66/238238166.db2.gz JQPBVXFHNIOIFE-UWVGGRQHSA-N 2 0 274.767 2.573 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134562 238225161 /nfs/dbraw/zinc/22/51/61/238225161.db2.gz MPZLVKXMGBSPTD-MSOLQXFVSA-N 3 0 287.451 2.987 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1cccc(Br)c1 ZINC000423167325 238249578 /nfs/dbraw/zinc/24/95/78/238249578.db2.gz SCBCNNDDEJRTLU-WDEREUQCSA-N 2 0 285.229 2.707 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000670270706 540851967 /nfs/dbraw/zinc/85/19/67/540851967.db2.gz IVYUKAXIVSOHOB-AWEZNQCLSA-N 2 0 291.439 2.894 20 0 CFADRP Cc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423196352 238271486 /nfs/dbraw/zinc/27/14/86/238271486.db2.gz ZQWBYMAKDXBJNT-SMDDNHRTSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CCCCCC1 ZINC000423200026 238272635 /nfs/dbraw/zinc/27/26/35/238272635.db2.gz LLENPMAUTJHUFD-OWCLPIDISA-N 2 0 292.467 2.975 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CCCCCC1 ZINC000423200962 238273636 /nfs/dbraw/zinc/27/36/36/238273636.db2.gz NRPCZLFUKJYNJK-NWDGAFQWSA-N 2 0 294.361 2.738 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CCCCCC1 ZINC000423200961 238274139 /nfs/dbraw/zinc/27/41/39/238274139.db2.gz NRPCZLFUKJYNJK-NEPJUHHUSA-N 2 0 294.361 2.738 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCS2 ZINC000423204207 238274508 /nfs/dbraw/zinc/27/45/08/238274508.db2.gz DDUFJFAMZRBHGH-WFASDCNBSA-N 2 0 292.448 2.821 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423203357 238275280 /nfs/dbraw/zinc/27/52/80/238275280.db2.gz CHZHLXUQAUFIEI-UONOGXRCSA-N 2 0 258.409 2.826 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000387559067 540867923 /nfs/dbraw/zinc/86/79/23/540867923.db2.gz XCVFMFNNBZSUOZ-INIZCTEOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000423224704 238289842 /nfs/dbraw/zinc/28/98/42/238289842.db2.gz JZEIAANZTHZTOY-IUCAKERBSA-N 2 0 289.192 2.976 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221045 238286352 /nfs/dbraw/zinc/28/63/52/238286352.db2.gz ZCTKUKPCCUWHHH-DYVFJYSZSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423222660 238287925 /nfs/dbraw/zinc/28/79/25/238287925.db2.gz CAESIIWYIFWVMI-BPUTZDHNSA-N 2 0 276.424 2.697 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258896 238314314 /nfs/dbraw/zinc/31/43/14/238314314.db2.gz MZXVNZZGSCFTEX-CJNGLKHVSA-N 2 0 274.408 2.662 20 0 CFADRP COCCc1nc(C)c([C@@H](C)N[C@@H](C[NH3+])CC(C)C)s1 ZINC000423259485 238314404 /nfs/dbraw/zinc/31/44/04/238314404.db2.gz DWQQGHHQZKMNIU-DGCLKSJQSA-N 2 0 299.484 2.664 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423259825 238315147 /nfs/dbraw/zinc/31/51/47/238315147.db2.gz PCVMCUSTYUASJI-GJZGRUSLSA-N 2 0 275.440 2.793 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423262259 238318016 /nfs/dbraw/zinc/31/80/16/238318016.db2.gz URTJUTFWTNYCHJ-DZGCQCFKSA-N 2 0 278.444 2.813 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1 ZINC000423275097 238333557 /nfs/dbraw/zinc/33/35/57/238333557.db2.gz MUKFZSSKPQLKKD-OWCLPIDISA-N 2 0 275.440 2.989 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000423278574 238336781 /nfs/dbraw/zinc/33/67/81/238336781.db2.gz QWNPHUKCSBJKRG-UMVBOHGHSA-N 2 0 294.439 2.769 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423309953 238365299 /nfs/dbraw/zinc/36/52/99/238365299.db2.gz QXNYBHCSCDJSHD-UHOFOFEASA-N 2 0 296.842 2.615 20 0 CFADRP C[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180146684 189239570 /nfs/dbraw/zinc/23/95/70/189239570.db2.gz NBDPDLNSHYRPMF-MIGBEJBISA-N 2 0 288.435 2.543 20 0 CFADRP Fc1cccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166557780 540951932 /nfs/dbraw/zinc/95/19/32/540951932.db2.gz CGBNFKFEACAYBV-DLBZAZTESA-N 2 0 276.399 2.975 20 0 CFADRP Cc1cc([C@H]([NH2+]C[C@@H](C)C[NH3+])C2CC2)ccc1F ZINC000423302036 238360185 /nfs/dbraw/zinc/36/01/85/238360185.db2.gz GQPZYBZHLQWRLV-ZUZCIYMTSA-N 2 0 250.361 2.770 20 0 CFADRP c1ccc([C@@H]2CCCC[C@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423305243 238361622 /nfs/dbraw/zinc/36/16/22/238361622.db2.gz QCPXBJJZIAHKCJ-SJORKVTESA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423305210 238362271 /nfs/dbraw/zinc/36/22/71/238362271.db2.gz KLIVRYLQXFSEOA-VNQPRFMTSA-N 2 0 276.424 2.555 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000423327573 238380979 /nfs/dbraw/zinc/38/09/79/238380979.db2.gz LLAPBQGRARFVFN-DLBZAZTESA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000423329219 238381243 /nfs/dbraw/zinc/38/12/43/238381243.db2.gz OGOHQCOQSPBUIC-QWHCGFSZSA-N 2 0 292.423 2.667 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000158690356 540976364 /nfs/dbraw/zinc/97/63/64/540976364.db2.gz KGZJFXJKJJPIMQ-BBWFWOEESA-N 3 0 295.515 2.674 20 0 CFADRP COCC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000532036980 540977213 /nfs/dbraw/zinc/97/72/13/540977213.db2.gz JCGSTQGCPVEQRR-IAGOWNOFSA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)C1CC1 ZINC000423333778 238386657 /nfs/dbraw/zinc/38/66/57/238386657.db2.gz VXLTZUMOAKLHDM-CVEARBPZSA-N 2 0 278.827 2.988 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337094 238387951 /nfs/dbraw/zinc/38/79/51/238387951.db2.gz HFEFULOMWPTGNZ-CQSZACIVSA-N 2 0 296.418 2.751 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344968 238393363 /nfs/dbraw/zinc/39/33/63/238393363.db2.gz NKDGRUNGMHIQQZ-CYBMUJFWSA-N 2 0 260.381 2.656 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[NH3+])ccc1OC(F)F ZINC000423345541 238393485 /nfs/dbraw/zinc/39/34/85/238393485.db2.gz XQPANKVZHMNZQY-JTQLQIEISA-N 2 0 288.338 2.686 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000423346063 238394677 /nfs/dbraw/zinc/39/46/77/238394677.db2.gz ZGDREETYSJIREO-ZDUSSCGKSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CC2 ZINC000423445971 238462828 /nfs/dbraw/zinc/46/28/28/238462828.db2.gz YMCLLSDYMFNSDZ-LRDDRELGSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423462793 238469838 /nfs/dbraw/zinc/46/98/38/238469838.db2.gz PLXAUPVLEKJEOL-GDZNZVCISA-N 2 0 274.408 2.885 20 0 CFADRP CC(C)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000311633726 541029253 /nfs/dbraw/zinc/02/92/53/541029253.db2.gz ZUAITNQAHOIHBW-MRXNPFEDSA-N 2 0 270.461 2.588 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000423488005 238487921 /nfs/dbraw/zinc/48/79/21/238487921.db2.gz DBCUMMAHPGCMEK-KCQAQPDRSA-N 2 0 290.407 2.626 20 0 CFADRP CCOCC[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000301433541 201007528 /nfs/dbraw/zinc/00/75/28/201007528.db2.gz WDTQAIUHFCZMIR-UHFFFAOYSA-N 2 0 299.418 2.702 20 0 CFADRP Cc1cccn2cc(CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc12 ZINC000671724771 541058551 /nfs/dbraw/zinc/05/85/51/541058551.db2.gz DCSAHMFOCNOTDU-SJPCQFCGSA-N 2 0 298.434 2.700 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671746636 541064684 /nfs/dbraw/zinc/06/46/84/541064684.db2.gz NROMQINLUQTILN-XOYOTBSWSA-N 2 0 270.420 2.789 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000671751217 541078651 /nfs/dbraw/zinc/07/86/51/541078651.db2.gz QOQGOJRQFFNIAG-RZFLTCLSSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1ccc(CC[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000671752138 541081031 /nfs/dbraw/zinc/08/10/31/541081031.db2.gz BBPQDLUQTFDUQJ-UHFFFAOYSA-N 2 0 260.425 3.000 20 0 CFADRP CCc1cc(N(C)CC[NH+](C)C)c2ccccc2[nH+]1 ZINC000301790494 201200612 /nfs/dbraw/zinc/20/06/12/201200612.db2.gz MZZYTJOVIMUOFS-UHFFFAOYSA-N 2 0 257.381 2.795 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000666620201 541122166 /nfs/dbraw/zinc/12/21/66/541122166.db2.gz DGZCWPJUGGFAAX-GOSISDBHSA-N 2 0 295.515 2.948 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000666645431 541126404 /nfs/dbraw/zinc/12/64/04/541126404.db2.gz SMFAFFGAUBTIMB-QZTJIDSGSA-N 2 0 289.467 2.566 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000425392936 239042407 /nfs/dbraw/zinc/04/24/07/239042407.db2.gz HVFUUBJFGDPUPB-WMZOPIPTSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000666645433 541126694 /nfs/dbraw/zinc/12/66/94/541126694.db2.gz SMFAFFGAUBTIMB-ZWKOTPCHSA-N 2 0 289.467 2.566 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000425404603 239046157 /nfs/dbraw/zinc/04/61/57/239046157.db2.gz LYVMTIJKAZIVSL-XYJFISCASA-N 2 0 294.483 2.998 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666792221 541144398 /nfs/dbraw/zinc/14/43/98/541144398.db2.gz WDNMPFMEAMAYES-LBPRGKRZSA-N 2 0 279.453 2.501 20 0 CFADRP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OC ZINC000666825529 541148448 /nfs/dbraw/zinc/14/84/48/541148448.db2.gz ZQDOLWIWEDBZEG-CHWSQXEVSA-N 2 0 280.412 2.557 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666825477 541148521 /nfs/dbraw/zinc/14/85/21/541148521.db2.gz NECIWTWOYRDTMO-LBPRGKRZSA-N 2 0 298.390 2.518 20 0 CFADRP CCCn1c(CN[C@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000666855276 541151947 /nfs/dbraw/zinc/15/19/47/541151947.db2.gz JEYCPNNUCVRZLA-AWEZNQCLSA-N 2 0 286.423 2.678 20 0 CFADRP COc1ccc(CN[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000666855222 541152228 /nfs/dbraw/zinc/15/22/28/541152228.db2.gz GHVTVKHSPUSYNY-GFCCVEGCSA-N 2 0 268.788 2.580 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857726 541152691 /nfs/dbraw/zinc/15/26/91/541152691.db2.gz HDYSNMNATLDFMC-KBPBESRZSA-N 2 0 286.423 2.616 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000666920446 541160307 /nfs/dbraw/zinc/16/03/07/541160307.db2.gz HSSGLLCHACXPFW-WMLDXEAASA-N 2 0 296.418 2.751 20 0 CFADRP CC(C)(C)c1nc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cs1 ZINC000666951981 541165228 /nfs/dbraw/zinc/16/52/28/541165228.db2.gz AUHCIRGGNHASKF-LBPRGKRZSA-N 2 0 279.453 2.672 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666952073 541165828 /nfs/dbraw/zinc/16/58/28/541165828.db2.gz FFJSUVXAEZZFTL-KGLIPLIRSA-N 2 0 250.430 2.935 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954161 541166286 /nfs/dbraw/zinc/16/62/86/541166286.db2.gz RAUWZZOKNDUNRM-YOEHRIQHSA-N 2 0 288.435 2.748 20 0 CFADRP Fc1ccc2nc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)sc2c1 ZINC000666954252 541166414 /nfs/dbraw/zinc/16/64/14/541166414.db2.gz STMKLLJWEPMRFF-CYBMUJFWSA-N 2 0 291.395 2.667 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953897 541166436 /nfs/dbraw/zinc/16/64/36/541166436.db2.gz KLILYUUBQMCIFN-TZMCWYRMSA-N 2 0 264.438 2.801 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666954300 541166597 /nfs/dbraw/zinc/16/65/97/541166597.db2.gz UENXDIDCUDNLRF-OAHLLOKOSA-N 2 0 258.409 2.696 20 0 CFADRP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955556 541167060 /nfs/dbraw/zinc/16/70/60/541167060.db2.gz ZVMXFECGRGVNEE-INIZCTEOSA-N 2 0 256.393 2.796 20 0 CFADRP c1nn(-c2ccccc2)cc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998418 541171953 /nfs/dbraw/zinc/17/19/53/541171953.db2.gz SRBAOMPSAWBBER-MRXNPFEDSA-N 2 0 296.418 2.637 20 0 CFADRP CCOc1ccccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998090 541172334 /nfs/dbraw/zinc/17/23/34/541172334.db2.gz ALKSMFNTJGYZIB-HNNXBMFYSA-N 2 0 274.408 2.850 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666999430 541172794 /nfs/dbraw/zinc/17/27/94/541172794.db2.gz HKEVZPXONFETPH-HNNXBMFYSA-N 2 0 274.408 2.850 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425941335 239140393 /nfs/dbraw/zinc/14/03/93/239140393.db2.gz JUYOSFDYZKLHHG-UONOGXRCSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H](C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C(C)(C)C ZINC000667054137 541179864 /nfs/dbraw/zinc/17/98/64/541179864.db2.gz OFLPSANLGNLHEQ-FVQBIDKESA-N 2 0 282.472 2.887 20 0 CFADRP CN(Cc1cccc(OC(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000220777047 541227747 /nfs/dbraw/zinc/22/77/47/541227747.db2.gz CUFBLPOIIFGRGZ-ZDUSSCGKSA-N 2 0 288.313 2.754 20 0 CFADRP Cc1ncc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)n1C ZINC000667592448 541264326 /nfs/dbraw/zinc/26/43/26/541264326.db2.gz UWSQWSBOJSMUAY-QGZVFWFLSA-N 2 0 285.391 2.692 20 0 CFADRP COCc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000667706191 541295134 /nfs/dbraw/zinc/29/51/34/541295134.db2.gz TYAJTSNNMMGQCK-GOEBONIOSA-N 2 0 294.464 2.811 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000076371924 541309959 /nfs/dbraw/zinc/30/99/59/541309959.db2.gz RFDNSSSVUKOXSP-QGZVFWFLSA-N 2 0 289.467 2.834 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1)C(C)C ZINC000667895756 541336655 /nfs/dbraw/zinc/33/66/55/541336655.db2.gz ACHLYSTULFGCKG-HOTGVXAUSA-N 2 0 268.445 2.652 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667913134 541340966 /nfs/dbraw/zinc/34/09/66/541340966.db2.gz ZDACMOZKMDWXFE-XTZTZFPZSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000432414728 240001852 /nfs/dbraw/zinc/00/18/52/240001852.db2.gz AOLCDQOHLKCZJC-VSVYTNTFSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432417860 240002550 /nfs/dbraw/zinc/00/25/50/240002550.db2.gz XODQPQPNSREYRB-SLTXQBBLSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393427 240311669 /nfs/dbraw/zinc/31/16/69/240311669.db2.gz ZOCJIXSVPYRQAE-CQSZACIVSA-N 2 0 280.387 2.798 20 0 CFADRP CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435380091 240306923 /nfs/dbraw/zinc/30/69/23/240306923.db2.gz MAHUIGXEQZRHCP-OAHLLOKOSA-N 2 0 272.396 2.527 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000435367821 240308193 /nfs/dbraw/zinc/30/81/93/240308193.db2.gz ASSKJAXHFZVLLD-ZDUSSCGKSA-N 2 0 250.411 2.579 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000435388535 240309372 /nfs/dbraw/zinc/30/93/72/240309372.db2.gz GHSGVNUEQJGNEQ-MRXNPFEDSA-N 2 0 260.425 2.894 20 0 CFADRP CC[N@H+](CCOc1cccc(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435623342 240332052 /nfs/dbraw/zinc/33/20/52/240332052.db2.gz CFNLOHMYZPQUHY-INIZCTEOSA-N 2 0 276.424 2.838 20 0 CFADRP CC[N@H+](Cc1cccc(NC(C)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435627224 240335841 /nfs/dbraw/zinc/33/58/41/240335841.db2.gz QVCOEEXQVUUHEV-KRWDZBQOSA-N 2 0 289.423 2.609 20 0 CFADRP CCSCCN(Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435729990 240343793 /nfs/dbraw/zinc/34/37/93/240343793.db2.gz CKJCGYOEWZVNKW-CYBMUJFWSA-N 2 0 299.509 2.616 20 0 CFADRP CCn1ccnc1C[N@H+](CC(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436353 240315045 /nfs/dbraw/zinc/31/50/45/240315045.db2.gz FOUUKSIRFBAUCT-OAHLLOKOSA-N 2 0 290.455 2.503 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000275835458 193142101 /nfs/dbraw/zinc/14/21/01/193142101.db2.gz IJIJWQZKENWYSK-INIZCTEOSA-N 2 0 298.434 2.821 20 0 CFADRP C[NH+](C)CCC[NH2+]CCCCCOc1ccccc1 ZINC000275873855 193152248 /nfs/dbraw/zinc/15/22/48/193152248.db2.gz ZFGKTVHORUHWCX-UHFFFAOYSA-N 2 0 264.413 2.777 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442870847 241009501 /nfs/dbraw/zinc/00/95/01/241009501.db2.gz DUFPSJPBEXIPAC-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCC2CCC2)C[C@@H]1C ZINC000445433240 241216960 /nfs/dbraw/zinc/21/69/60/241216960.db2.gz BOJXEOQKLWOKLW-HOCLYGCPSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000445572007 241224285 /nfs/dbraw/zinc/22/42/85/241224285.db2.gz BQJKNDLZQQDBND-KRWDZBQOSA-N 2 0 295.515 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000673716453 541507270 /nfs/dbraw/zinc/50/72/70/541507270.db2.gz XPXHZLAYMKRWNG-YJBOKZPZSA-N 2 0 289.467 2.915 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cncs1 ZINC000447557233 241386123 /nfs/dbraw/zinc/38/61/23/241386123.db2.gz LDIYRCJOANDLLL-NSHDSACASA-N 2 0 265.426 2.668 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000262086769 291380828 /nfs/dbraw/zinc/38/08/28/291380828.db2.gz ULIXZFWFIBEWKT-YOEHRIQHSA-N 2 0 288.391 2.552 20 0 CFADRP C[C@]1(C[N@@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]C1 ZINC000261776742 291381105 /nfs/dbraw/zinc/38/11/05/291381105.db2.gz NLOKOMPGCUKKFN-KRWDZBQOSA-N 2 0 258.409 2.779 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000449625135 242071427 /nfs/dbraw/zinc/07/14/27/242071427.db2.gz RFSFTMAVFNBZOL-UHFFFAOYSA-N 2 0 297.402 2.720 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449626253 242073649 /nfs/dbraw/zinc/07/36/49/242073649.db2.gz PJUVQAYTRRVYLT-MQYQWHSLSA-N 2 0 280.437 2.508 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCO[C@@H](c2cccs2)C1 ZINC000449626256 242073687 /nfs/dbraw/zinc/07/36/87/242073687.db2.gz PJUVQAYTRRVYLT-ZOBORPQBSA-N 2 0 280.437 2.508 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCC[NH2+]C1 ZINC000423342585 291390114 /nfs/dbraw/zinc/39/01/14/291390114.db2.gz NHJUGCJCDYYURG-HZMVEIRTSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000449743115 242130035 /nfs/dbraw/zinc/13/00/35/242130035.db2.gz UWHRQHQTRXGBMW-ZFWWWQNUSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450370648 242381752 /nfs/dbraw/zinc/38/17/52/242381752.db2.gz AAVXYRFDHOUBDC-HNNXBMFYSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358452173 294335680 /nfs/dbraw/zinc/33/56/80/294335680.db2.gz OUEZUYQARCBPOM-BYNSBNAKSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000423078904 299381390 /nfs/dbraw/zinc/38/13/90/299381390.db2.gz PPLRONKEVVEKES-JLJPHGGASA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CCSCC1 ZINC000354658904 296117318 /nfs/dbraw/zinc/11/73/18/296117318.db2.gz DAUPVHHOIKSGIK-CYBMUJFWSA-N 2 0 270.486 2.840 20 0 CFADRP COc1nc(C)cc(C)c1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675808732 541696577 /nfs/dbraw/zinc/69/65/77/541696577.db2.gz RYOXJEZUUATTBG-AWEZNQCLSA-N 2 0 291.439 2.527 20 0 CFADRP C[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)C[NH+]1CCCC1 ZINC000453061309 243383343 /nfs/dbraw/zinc/38/33/43/243383343.db2.gz NTXNMWYIZHJCTA-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875917 541701904 /nfs/dbraw/zinc/70/19/04/541701904.db2.gz UUSKNSYFNDEOKH-IAGOWNOFSA-N 2 0 293.499 2.879 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000453087859 243394800 /nfs/dbraw/zinc/39/48/00/243394800.db2.gz QGQDSKNUIFEVOA-NVXWUHKLSA-N 2 0 287.451 2.867 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000453093758 243397361 /nfs/dbraw/zinc/39/73/61/243397361.db2.gz PFCBLUDVEDCDJW-ZFWWWQNUSA-N 2 0 282.453 2.818 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1csc(C)c1 ZINC000453093756 243398278 /nfs/dbraw/zinc/39/82/78/243398278.db2.gz PFCBLUDVEDCDJW-HIFRSBDPSA-N 2 0 282.453 2.818 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000423222250 296126404 /nfs/dbraw/zinc/12/64/04/296126404.db2.gz AJDCGZCWWFOYSN-JWBIGWHFSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422727908 296128799 /nfs/dbraw/zinc/12/87/99/296128799.db2.gz DSEWVWKQQMAKSP-KFWWJZLASA-N 2 0 293.480 2.615 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000675935041 541710507 /nfs/dbraw/zinc/71/05/07/541710507.db2.gz GHSNMVONACDPIG-AWEZNQCLSA-N 2 0 296.480 2.504 20 0 CFADRP CO[C@H](C)c1nc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cs1 ZINC000675929713 541710539 /nfs/dbraw/zinc/71/05/39/541710539.db2.gz CGNCZZUQLMQNAJ-VXGBXAGGSA-N 2 0 297.468 2.670 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000675929139 541710721 /nfs/dbraw/zinc/71/07/21/541710721.db2.gz ZJZJQKDYADJGNO-KBPBESRZSA-N 2 0 261.413 2.505 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276564643 193381978 /nfs/dbraw/zinc/38/19/78/193381978.db2.gz AHLXORGWIRHENW-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cnn1C(C)(C)C ZINC000276570768 193385233 /nfs/dbraw/zinc/38/52/33/193385233.db2.gz TYZXOQGSMUOZTQ-CYBMUJFWSA-N 2 0 290.455 2.859 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC(C(F)(F)F)CC1 ZINC000423437370 296157793 /nfs/dbraw/zinc/15/77/93/296157793.db2.gz QIBRUJZVOSTGEP-JOTXNTPVSA-N 2 0 276.346 2.551 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000676841191 541799425 /nfs/dbraw/zinc/79/94/25/541799425.db2.gz FBILHUBIYDILHN-SMDDNHRTSA-N 2 0 299.484 2.767 20 0 CFADRP Cc1cccc2oc(CC[NH2+]C3CCN(C4CC4)CC3)nc21 ZINC000459420358 245172547 /nfs/dbraw/zinc/17/25/47/245172547.db2.gz LFCUDQNEXUNDDS-UHFFFAOYSA-N 2 0 299.418 2.895 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459424099 245175001 /nfs/dbraw/zinc/17/50/01/245175001.db2.gz IHCGPMQYZIEGQH-SFHVURJKSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H](CCN1CCOCC1)[NH2+]CCc1cccc(Cl)c1 ZINC000459481508 245194403 /nfs/dbraw/zinc/19/44/03/245194403.db2.gz QLQMBYSOXHVLTP-CQSZACIVSA-N 2 0 296.842 2.583 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CCSCC1 ZINC000187279700 296163675 /nfs/dbraw/zinc/16/36/75/296163675.db2.gz BNHSDXZDLAFJNM-SNPRPXQTSA-N 2 0 270.486 2.981 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459461298 245187226 /nfs/dbraw/zinc/18/72/26/245187226.db2.gz JIRZRMVEHXSCOH-YMAMQOFZSA-N 2 0 270.461 2.758 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657394 245261129 /nfs/dbraw/zinc/26/11/29/245261129.db2.gz IFUNDSDTVCHNLO-GDBMZVCRSA-N 2 0 273.380 2.629 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCSCC1 ZINC000459659592 245263192 /nfs/dbraw/zinc/26/31/92/245263192.db2.gz MNQKYWBHPKFFHN-GFCCVEGCSA-N 2 0 275.421 2.956 20 0 CFADRP c1ccc2c(c1)CCCN2CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677237901 541837230 /nfs/dbraw/zinc/83/72/30/541837230.db2.gz QITHRVXLQSYHPE-QZTJIDSGSA-N 2 0 299.462 2.656 20 0 CFADRP COc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1OC ZINC000459732017 245290568 /nfs/dbraw/zinc/29/05/68/245290568.db2.gz LUDMQDCYEGCWMX-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459774547 245318575 /nfs/dbraw/zinc/31/85/75/245318575.db2.gz JCSDHSGHTFHSHE-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459780973 245322053 /nfs/dbraw/zinc/32/20/53/245322053.db2.gz MDUOYGLCHBLUEQ-UONOGXRCSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)CC1CCOCC1 ZINC000459783468 245324245 /nfs/dbraw/zinc/32/42/45/245324245.db2.gz NHIYPNANTWUEAK-DOTOQJQBSA-N 2 0 282.472 2.761 20 0 CFADRP CC(C)[NH+]1CCC(NCC2([NH+](C)C)CCCCC2)CC1 ZINC000020094516 372231326 /nfs/dbraw/zinc/23/13/26/372231326.db2.gz UVRMNPSBUALNOX-UHFFFAOYSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@H+](CCOc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000036300970 372569877 /nfs/dbraw/zinc/56/98/77/372569877.db2.gz HQZFVIYGSWFEHS-UHFFFAOYSA-N 2 0 284.403 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccs1 ZINC000036907879 372609760 /nfs/dbraw/zinc/60/97/60/372609760.db2.gz NEGBLIYDNFDWBI-YRGRVCCFSA-N 2 0 252.427 2.609 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000036908071 372610478 /nfs/dbraw/zinc/61/04/78/372610478.db2.gz JKIPOBZOZQLTEH-INMHGKMJSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)OCO2 ZINC000036982017 372623024 /nfs/dbraw/zinc/62/30/24/372623024.db2.gz HCQZPRVNAIOFBI-PRTUASRFSA-N 2 0 288.391 2.691 20 0 CFADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037042946 372641152 /nfs/dbraw/zinc/64/11/52/372641152.db2.gz YHOISZMOXVWSSO-CJNGLKHVSA-N 2 0 291.439 2.840 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000037051795 372641435 /nfs/dbraw/zinc/64/14/35/372641435.db2.gz DWRHKOLNKGSZCE-CQSZACIVSA-N 2 0 290.455 2.696 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000037042931 372641944 /nfs/dbraw/zinc/64/19/44/372641944.db2.gz LQFXZHPAPDINLO-INIZCTEOSA-N 2 0 289.423 2.609 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000037643956 372678507 /nfs/dbraw/zinc/67/85/07/372678507.db2.gz XCTSBUYTKOUMQX-RYUDHWBXSA-N 2 0 268.351 2.957 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000037644430 372680823 /nfs/dbraw/zinc/68/08/23/372680823.db2.gz JQXXJHBQVHTHNQ-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649168 372685332 /nfs/dbraw/zinc/68/53/32/372685332.db2.gz KRXPSWXPVIRZRW-GDBMZVCRSA-N 2 0 288.435 2.787 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649107 372685438 /nfs/dbraw/zinc/68/54/38/372685438.db2.gz ZQSNJFWOCBAGEP-UONOGXRCSA-N 2 0 274.408 2.830 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(Br)c1 ZINC000037714762 372690283 /nfs/dbraw/zinc/69/02/83/372690283.db2.gz PIEBXQRFLZCXTH-JTQLQIEISA-N 2 0 271.202 2.839 20 0 CFADRP [NH3+]CCC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000037713252 372691199 /nfs/dbraw/zinc/69/11/99/372691199.db2.gz FBWATNSAYINSMW-UHFFFAOYSA-N 2 0 268.404 2.779 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCC[NH3+] ZINC000037714917 372692364 /nfs/dbraw/zinc/69/23/64/372692364.db2.gz UZUFZSQQOIUVSS-LBPRGKRZSA-N 2 0 286.366 2.938 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000333256487 205158924 /nfs/dbraw/zinc/15/89/24/205158924.db2.gz ICMZGXJFGKETSC-BZUAXINKSA-N 2 0 279.472 2.548 20 0 CFADRP Cc1csc(C2([NH2+]C3CCC(C[NH3+])CC3)CCC2)n1 ZINC000333271216 205170301 /nfs/dbraw/zinc/17/03/01/205170301.db2.gz KNAJBYOKRGVMKR-UHFFFAOYSA-N 2 0 279.453 2.938 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCCCCC2)cc1 ZINC000041665344 372857059 /nfs/dbraw/zinc/85/70/59/372857059.db2.gz WTJXJOVTTGYQBE-OAHLLOKOSA-N 2 0 262.397 2.614 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000045663691 373027190 /nfs/dbraw/zinc/02/71/90/373027190.db2.gz KAYQORDDFPJLFK-AWEZNQCLSA-N 2 0 294.439 2.566 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000045598264 373021841 /nfs/dbraw/zinc/02/18/41/373021841.db2.gz TURUGCJDEOCVFG-UHFFFAOYSA-N 2 0 258.768 2.911 20 0 CFADRP c1cnc2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2c1 ZINC000058402839 373654949 /nfs/dbraw/zinc/65/49/49/373654949.db2.gz LEKBRSRAFFPSTD-UHFFFAOYSA-N 2 0 269.392 2.810 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488452822 245864215 /nfs/dbraw/zinc/86/42/15/245864215.db2.gz YLECCINGDJUZFE-HUUCEWRRSA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC000337420953 220247573 /nfs/dbraw/zinc/24/75/73/220247573.db2.gz FQRURMVKKQAXPQ-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000070169638 374135096 /nfs/dbraw/zinc/13/50/96/374135096.db2.gz HKMBHBDFDNEYCZ-GFCCVEGCSA-N 2 0 252.789 2.901 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000070189902 374143230 /nfs/dbraw/zinc/14/32/30/374143230.db2.gz WZGMZSWFXWOCTL-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070534434 374190636 /nfs/dbraw/zinc/19/06/36/374190636.db2.gz VTWUJMXFRMZLMR-KGLIPLIRSA-N 2 0 262.397 2.645 20 0 CFADRP COCC(C)(C)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000491501230 246073560 /nfs/dbraw/zinc/07/35/60/246073560.db2.gz VAXHLNCJBPPWLG-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP Cc1ccc(/C=C\C(=O)Nc2cnccc2-n2ccnc2)o1 ZINC000491892038 246113993 /nfs/dbraw/zinc/11/39/93/246113993.db2.gz KFXUMZIUQFZKFQ-PLNGDYQASA-N 2 0 294.314 2.821 20 0 CFADRP Cc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000075206819 374468927 /nfs/dbraw/zinc/46/89/27/374468927.db2.gz HDRRDOJTOVHUES-ALOPSCKCSA-N 2 0 258.409 2.752 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc(C)c1O ZINC000289485583 197370865 /nfs/dbraw/zinc/37/08/65/197370865.db2.gz BEHLRMNRUUIDSP-INIZCTEOSA-N 2 0 276.424 2.925 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCOC1 ZINC000678151453 541963183 /nfs/dbraw/zinc/96/31/83/541963183.db2.gz MGNIZIIBKFBXFE-QGZVFWFLSA-N 2 0 276.424 2.607 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)[C@@H](CO)CC(C)(C)C ZINC000451776995 383703306 /nfs/dbraw/zinc/70/33/06/383703306.db2.gz AXSWIVSMFRWWCR-OAHLLOKOSA-N 2 0 270.461 2.591 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000086333536 374803786 /nfs/dbraw/zinc/80/37/86/374803786.db2.gz DKJHMUNUOZCNQJ-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000089145345 374873058 /nfs/dbraw/zinc/87/30/58/374873058.db2.gz CUXZUUDWDAXJNC-UKRRQHHQSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089145680 374873361 /nfs/dbraw/zinc/87/33/61/374873361.db2.gz CPMBRFSTKQSSKQ-BNOWGMLFSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000089146001 374874651 /nfs/dbraw/zinc/87/46/51/374874651.db2.gz VLIGLZQXHFILOB-QMTHXVAHSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000089150561 374875786 /nfs/dbraw/zinc/87/57/86/374875786.db2.gz PXZWKTKMVULPEM-ZWNOBZJWSA-N 2 0 256.752 2.696 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000571549901 383704157 /nfs/dbraw/zinc/70/41/57/383704157.db2.gz HKTNEEOFDSKQCD-AWEZNQCLSA-N 2 0 264.413 2.829 20 0 CFADRP COCc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000088568462 374854467 /nfs/dbraw/zinc/85/44/67/374854467.db2.gz JMBRGNSMOVWWTP-HNNXBMFYSA-N 2 0 276.424 2.655 20 0 CFADRP CC(C)[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000089749266 374944494 /nfs/dbraw/zinc/94/44/94/374944494.db2.gz TURYMBLLURDZHI-ZDUSSCGKSA-N 2 0 252.427 2.958 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1Cl ZINC000089749204 374944507 /nfs/dbraw/zinc/94/45/07/374944507.db2.gz HSIQTCIRRJOHMD-LBPRGKRZSA-N 2 0 252.789 2.771 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721653 375025356 /nfs/dbraw/zinc/02/53/56/375025356.db2.gz MCSCKKWCQHNOGA-IUODEOHRSA-N 2 0 250.361 2.706 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724389 375025413 /nfs/dbraw/zinc/02/54/13/375025413.db2.gz PVBWSFWZCIJRBQ-IPYPFGDCSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721654 375025940 /nfs/dbraw/zinc/02/59/40/375025940.db2.gz MCSCKKWCQHNOGA-DOMZBBRYSA-N 2 0 250.361 2.706 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090764309 375026432 /nfs/dbraw/zinc/02/64/32/375026432.db2.gz JPPGDAPXEAGVDD-YXMPFFBPSA-N 2 0 279.428 2.713 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092565075 375124962 /nfs/dbraw/zinc/12/49/62/375124962.db2.gz AVOGBTLHWJXYMP-KSZLIROESA-N 2 0 295.515 2.676 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000093452901 375244407 /nfs/dbraw/zinc/24/44/07/375244407.db2.gz XLXOKGGUGJUJRS-UHOFOFEASA-N 2 0 280.362 2.975 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCCc1cncn1C ZINC000571578843 383706449 /nfs/dbraw/zinc/70/64/49/383706449.db2.gz ZUXRDQHEDKWRGB-CQSZACIVSA-N 2 0 287.407 2.621 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccs2)[C@H](C)C1 ZINC000093638872 375278140 /nfs/dbraw/zinc/27/81/40/375278140.db2.gz YEQLKZYVJYCYKK-OCCSQVGLSA-N 2 0 252.427 2.910 20 0 CFADRP C[N@H+](Cc1ccc2ncccc2c1)CC(C)(C)C[NH3+] ZINC000093872932 375325788 /nfs/dbraw/zinc/32/57/88/375325788.db2.gz YITHSQFQTSSYRE-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093873164 375326570 /nfs/dbraw/zinc/32/65/70/375326570.db2.gz IAWFDFLEYDAEGB-UHFFFAOYSA-N 2 0 250.386 2.502 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000093942401 375332771 /nfs/dbraw/zinc/33/27/71/375332771.db2.gz WSOFODPXYLOVGA-TVFCKZIOSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1OC)CC1CC[NH2+]CC1 ZINC000094011257 375335667 /nfs/dbraw/zinc/33/56/67/375335667.db2.gz YUKWOSVRTCNESB-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000094009955 375336053 /nfs/dbraw/zinc/33/60/53/375336053.db2.gz HARIKKBSSDARQY-MRXNPFEDSA-N 2 0 262.397 2.736 20 0 CFADRP CCc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000094070663 375340286 /nfs/dbraw/zinc/34/02/86/375340286.db2.gz ZIMATQAKUHXXKW-UHFFFAOYSA-N 2 0 276.424 2.579 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519063 375364548 /nfs/dbraw/zinc/36/45/48/375364548.db2.gz UGHNKSPMVBBVMT-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000094826941 375382272 /nfs/dbraw/zinc/38/22/72/375382272.db2.gz AZCOGSIYPJQUOW-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000497027564 247040012 /nfs/dbraw/zinc/04/00/12/247040012.db2.gz SOHKXKPVAXWILA-ZDUSSCGKSA-N 2 0 293.411 2.515 20 0 CFADRP CC(C)OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229916 375723347 /nfs/dbraw/zinc/72/33/47/375723347.db2.gz QRBGMXDHZLNUGT-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000678609851 542054273 /nfs/dbraw/zinc/05/42/73/542054273.db2.gz YWWNKIBVYRZUEK-NUEKZKHPSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000678600692 542050167 /nfs/dbraw/zinc/05/01/67/542050167.db2.gz PVYOULZYEUKSFG-WCQYABFASA-N 2 0 260.372 2.884 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000104322895 375778650 /nfs/dbraw/zinc/77/86/50/375778650.db2.gz CHEYDROKUYLXBR-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2C)CC1 ZINC000678773037 542067651 /nfs/dbraw/zinc/06/76/51/542067651.db2.gz TTXAZEQCSRJHHR-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(F)c(F)c2)CC1 ZINC000678773548 542067766 /nfs/dbraw/zinc/06/77/66/542067766.db2.gz OZOHDAJTOZEXEM-UHFFFAOYSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000113501559 376017882 /nfs/dbraw/zinc/01/78/82/376017882.db2.gz UUDIMNMCPMGPDM-CALCHBBNSA-N 2 0 295.515 2.913 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548892 376137434 /nfs/dbraw/zinc/13/74/34/376137434.db2.gz TZVBRISIVJUPHV-GOSISDBHSA-N 2 0 290.451 2.916 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)CC[N@@H+]1C ZINC000119439591 376413707 /nfs/dbraw/zinc/41/37/07/376413707.db2.gz ILKWLQDHWFNDMB-JSGCOSHPSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000119450040 376416580 /nfs/dbraw/zinc/41/65/80/376416580.db2.gz TZTBTLMGLROBBP-DOMZBBRYSA-N 2 0 266.816 2.812 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1C ZINC000119223239 376374873 /nfs/dbraw/zinc/37/48/73/376374873.db2.gz IGOJXWOEKLOKHO-CRAIPNDOSA-N 2 0 298.434 2.504 20 0 CFADRP Cc1ccoc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000119891815 376500036 /nfs/dbraw/zinc/50/00/36/376500036.db2.gz WIATYWDBHUYHHP-UHFFFAOYSA-N 2 0 250.386 2.798 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120788263 376694927 /nfs/dbraw/zinc/69/49/27/376694927.db2.gz HGRQSZWKUYVYIQ-UKRRQHHQSA-N 2 0 295.496 2.591 20 0 CFADRP CCN(C)CC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000121175723 376775403 /nfs/dbraw/zinc/77/54/03/376775403.db2.gz XLZJMUFHJATLHD-QGZVFWFLSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(C)n1 ZINC000678930404 542094758 /nfs/dbraw/zinc/09/47/58/542094758.db2.gz ISNWFHHNAODBAI-ZDUSSCGKSA-N 2 0 259.397 2.611 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000678929879 542094821 /nfs/dbraw/zinc/09/48/21/542094821.db2.gz BGTXGLDXCHSEPL-AWEZNQCLSA-N 2 0 264.438 2.921 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000679014911 542109964 /nfs/dbraw/zinc/10/99/64/542109964.db2.gz BZUJSXFGUMKHSL-IJEWVQPXSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(CO)c1)C[NH+]1CCCC1 ZINC000121323339 376805321 /nfs/dbraw/zinc/80/53/21/376805321.db2.gz JWKSGTXXBXRKHR-CABCVRRESA-N 2 0 276.424 2.561 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000679092671 542120007 /nfs/dbraw/zinc/12/00/07/542120007.db2.gz QQUDUBWGXZYRJP-PBHICJAKSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccccc3F)CC[C@@H]21 ZINC000121436122 376832476 /nfs/dbraw/zinc/83/24/76/376832476.db2.gz CGMLXXARHUWOQQ-RDJZCZTQSA-N 2 0 276.399 2.784 20 0 CFADRP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000121511455 376848530 /nfs/dbraw/zinc/84/85/30/376848530.db2.gz WMHUWAPVGPDEGG-BBRMVZONSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000121667876 376880052 /nfs/dbraw/zinc/88/00/52/376880052.db2.gz HXQHPRWWJZJGFY-HIFRSBDPSA-N 2 0 280.387 2.667 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@H]1CCOC1 ZINC000121787598 376904530 /nfs/dbraw/zinc/90/45/30/376904530.db2.gz LMNJCZSJDJTNMY-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP Cn1cncc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121816841 376913854 /nfs/dbraw/zinc/91/38/54/376913854.db2.gz DAPFQZLTLOVENL-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCOC)CCC2)[C@H](C)C1 ZINC000122994374 376942001 /nfs/dbraw/zinc/94/20/01/376942001.db2.gz DZIXPHHRGBGPPT-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CCc1cc(N2CC[NH+](CCOC)CC2)c2ccccc2[nH+]1 ZINC000123295360 376952726 /nfs/dbraw/zinc/95/27/26/376952726.db2.gz RKOZLKVJWDLVRU-UHFFFAOYSA-N 2 0 299.418 2.566 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055125571 284607524 /nfs/dbraw/zinc/60/75/24/284607524.db2.gz NXPGJHCADIMMKX-XHSDSOJGSA-N 2 0 297.487 2.521 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2C)CC1 ZINC000124370777 377042666 /nfs/dbraw/zinc/04/26/66/377042666.db2.gz DWXPQPPHQWQGHE-MRXNPFEDSA-N 2 0 287.451 2.813 20 0 CFADRP CCn1cc([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125879813 377198991 /nfs/dbraw/zinc/19/89/91/377198991.db2.gz SSGUKYUTMNRBRN-HUUCEWRRSA-N 2 0 278.444 2.674 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cnc3ccc(C)cn23)CC1 ZINC000125293481 377137670 /nfs/dbraw/zinc/13/76/70/377137670.db2.gz LKEBZMDSKIGLRV-UHFFFAOYSA-N 2 0 286.423 2.559 20 0 CFADRP CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCCn1ccnc1C ZINC000125526298 377164975 /nfs/dbraw/zinc/16/49/75/377164975.db2.gz WXCIEZXZZYSKLE-CVEARBPZSA-N 2 0 279.428 2.597 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126408883 377225591 /nfs/dbraw/zinc/22/55/91/377225591.db2.gz AVDOAZWLIQMUQL-YVEFUNNKSA-N 2 0 276.399 2.990 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)s1 ZINC000127029451 377261049 /nfs/dbraw/zinc/26/10/49/377261049.db2.gz PRAHRYYGQRVSPX-NSHDSACASA-N 2 0 299.403 2.883 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000126015452 377206003 /nfs/dbraw/zinc/20/60/03/377206003.db2.gz ODRHPBNNKOVWFM-GOEBONIOSA-N 2 0 292.471 2.754 20 0 CFADRP C[NH2+]C[C@@H]1CCCN1CCCOc1ccc(C)c(C)c1 ZINC000128401696 377334003 /nfs/dbraw/zinc/33/40/03/377334003.db2.gz BNJIVZQUGNDADM-INIZCTEOSA-N 2 0 276.424 2.756 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000128763432 377355875 /nfs/dbraw/zinc/35/58/75/377355875.db2.gz NGLLPVYKOIKOGN-UONOGXRCSA-N 2 0 256.434 2.654 20 0 CFADRP C[NH+]1CCN(CCC[NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000129632675 377453175 /nfs/dbraw/zinc/45/31/75/377453175.db2.gz IQLFKMDUCZLPMR-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000129628142 377453838 /nfs/dbraw/zinc/45/38/38/377453838.db2.gz DYECFDCSDHZNJO-HZPDHXFCSA-N 2 0 275.440 2.585 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CCC(OC)CC2)CC1 ZINC000129987780 377499864 /nfs/dbraw/zinc/49/98/64/377499864.db2.gz ISUFJOXTUDPNMM-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130209572 377521024 /nfs/dbraw/zinc/52/10/24/377521024.db2.gz YKUKZFRNABGVOQ-GDBMZVCRSA-N 2 0 276.424 2.700 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000679334114 542170959 /nfs/dbraw/zinc/17/09/59/542170959.db2.gz HOQJHFGIFNRWHB-BRWVUGGUSA-N 2 0 284.488 2.885 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000679330806 542169143 /nfs/dbraw/zinc/16/91/43/542169143.db2.gz SGYWUNVDJHPJJH-OAHLLOKOSA-N 2 0 270.461 2.782 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000130309349 377536298 /nfs/dbraw/zinc/53/62/98/377536298.db2.gz RUQZAATZMXFCQW-XHDPSFHLSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000130507118 377567978 /nfs/dbraw/zinc/56/79/78/377567978.db2.gz LHDCCMVVJPDIGF-LZWOXQAQSA-N 2 0 262.372 2.693 20 0 CFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CSC1 ZINC000679626960 542215308 /nfs/dbraw/zinc/21/53/08/542215308.db2.gz CCYXAKOWTIBVLJ-ZIAGYGMSSA-N 2 0 290.476 2.848 20 0 CFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CSC1 ZINC000679626956 542215397 /nfs/dbraw/zinc/21/53/97/542215397.db2.gz CCYXAKOWTIBVLJ-HALDLXJZSA-N 2 0 290.476 2.848 20 0 CFADRP CC(C)COCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131940978 377782061 /nfs/dbraw/zinc/78/20/61/377782061.db2.gz PDUPONAGTCAVJD-CVEARBPZSA-N 2 0 262.397 2.784 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c2ccccc2n1 ZINC000131760800 377758184 /nfs/dbraw/zinc/75/81/84/377758184.db2.gz MDULLOXDOGBDKI-KBPBESRZSA-N 2 0 269.392 2.712 20 0 CFADRP CC[C@@H](CSC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000132450538 377841123 /nfs/dbraw/zinc/84/11/23/377841123.db2.gz FWPMPNSNIPDIIW-ZDUSSCGKSA-N 2 0 279.453 2.782 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000133037897 377897694 /nfs/dbraw/zinc/89/76/94/377897694.db2.gz IHCOMRASFSLENJ-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)CCN1C ZINC000132723938 377870822 /nfs/dbraw/zinc/87/08/22/377870822.db2.gz GLYRRKOINJHHOB-NVXWUHKLSA-N 2 0 287.451 2.728 20 0 CFADRP CCOc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000133339709 377922967 /nfs/dbraw/zinc/92/29/67/377922967.db2.gz HMZYIFDDTNPCHV-INIZCTEOSA-N 2 0 264.413 2.891 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000133400136 377926810 /nfs/dbraw/zinc/92/68/10/377926810.db2.gz OISLVJJRQXCZKD-UHFFFAOYSA-N 2 0 269.458 2.872 20 0 CFADRP C[C@@H]1C[C@H](NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@@H+]1C ZINC000134074891 377980232 /nfs/dbraw/zinc/98/02/32/377980232.db2.gz YEOCACBFDPXBKK-MWDXBVQZSA-N 2 0 295.515 2.815 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000134157120 377987416 /nfs/dbraw/zinc/98/74/16/377987416.db2.gz LJFXRDIIJNCMTA-HOCLYGCPSA-N 2 0 250.430 2.910 20 0 CFADRP CCSCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134913315 378062505 /nfs/dbraw/zinc/06/25/05/378062505.db2.gz AVAHQOHWYYJSFL-HIFRSBDPSA-N 2 0 268.470 2.688 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)C[C@@H](C)[NH3+] ZINC000422830819 284686341 /nfs/dbraw/zinc/68/63/41/284686341.db2.gz DCGUKONJTKCFFM-WCVJEAGWSA-N 2 0 269.477 2.602 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnccc1C ZINC000135431113 378130899 /nfs/dbraw/zinc/13/08/99/378130899.db2.gz CVCPLZTUTOLRQE-HNNXBMFYSA-N 2 0 263.429 2.990 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529539712 383725670 /nfs/dbraw/zinc/72/56/70/383725670.db2.gz XAFJAKWRKZOKKW-LLVKDONJSA-N 2 0 260.372 2.742 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CCCSC3)CC2)cc[nH+]1 ZINC000136353503 378196627 /nfs/dbraw/zinc/19/66/27/378196627.db2.gz VXPLWDQYXQIBNS-CQSZACIVSA-N 2 0 277.437 2.536 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000151105401 378293921 /nfs/dbraw/zinc/29/39/21/378293921.db2.gz QMKQFUFGCBGZPY-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP c1cn(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000151109329 378296453 /nfs/dbraw/zinc/29/64/53/378296453.db2.gz RCFALGOXIPSFDM-UHFFFAOYSA-N 2 0 290.455 2.660 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000151609575 378341867 /nfs/dbraw/zinc/34/18/67/378341867.db2.gz SXGMBUAYSZTANY-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000152439486 378416306 /nfs/dbraw/zinc/41/63/06/378416306.db2.gz WYQOOIAMBJSSHA-MRXNPFEDSA-N 2 0 299.462 2.729 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000152843613 378450996 /nfs/dbraw/zinc/45/09/96/378450996.db2.gz RWEDKWBFQCGXIC-RHSMWYFYSA-N 2 0 280.456 2.941 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152449061 378417270 /nfs/dbraw/zinc/41/72/70/378417270.db2.gz RJMGKEROUZBASS-YOEHRIQHSA-N 2 0 286.419 2.974 20 0 CFADRP c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCCNc3ccccc31)CC2 ZINC000329725906 378488186 /nfs/dbraw/zinc/48/81/86/378488186.db2.gz BYRYDXPIFCVFRY-SWLSCSKDSA-N 2 0 282.391 2.804 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154400343 378562657 /nfs/dbraw/zinc/56/26/57/378562657.db2.gz VVGRBUGFEDQVQO-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP Nc1c(F)cccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000156380076 378640678 /nfs/dbraw/zinc/64/06/78/378640678.db2.gz QUIMKXLHWLEQLQ-UHFFFAOYSA-N 2 0 291.414 2.716 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)cc2)cn1 ZINC000155395564 378625158 /nfs/dbraw/zinc/62/51/58/378625158.db2.gz ILNBUHXXLBOFMC-SJLPKXTDSA-N 2 0 297.402 2.873 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000158362598 378668297 /nfs/dbraw/zinc/66/82/97/378668297.db2.gz FMFCPFYFMMNIPJ-HLLBOEOZSA-N 2 0 288.435 2.873 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158551638 378669152 /nfs/dbraw/zinc/66/91/52/378669152.db2.gz RFROGETULYGZRZ-AEFFLSMTSA-N 2 0 287.451 2.669 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158551489 378670025 /nfs/dbraw/zinc/67/00/25/378670025.db2.gz RFROGETULYGZRZ-WMZOPIPTSA-N 2 0 287.451 2.669 20 0 CFADRP Cc1nc2c(c(NC[C@@H]3CC[N@@H+](C4CC4)C3)n1)CCCC2 ZINC000679837082 542240444 /nfs/dbraw/zinc/24/04/44/542240444.db2.gz UBQGTVDFAIRSTL-ZDUSSCGKSA-N 2 0 286.423 2.560 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000331364442 378678171 /nfs/dbraw/zinc/67/81/71/378678171.db2.gz BVZFMHDWGYUKHD-IJLUTSLNSA-N 2 0 279.453 2.800 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332069649 378723527 /nfs/dbraw/zinc/72/35/27/378723527.db2.gz UWTRUTJUFFUYNT-DFBGVHRSSA-N 2 0 289.423 2.588 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679840275 542242234 /nfs/dbraw/zinc/24/22/34/542242234.db2.gz CUKKRCQLOOMDSA-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCNc2ccccn2)[C@H](C)C1 ZINC000162854897 378937783 /nfs/dbraw/zinc/93/77/83/378937783.db2.gz LOGYXKKFZPWTCV-HZPDHXFCSA-N 2 0 290.455 2.594 20 0 CFADRP Cc1nc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)sc1C ZINC000334217215 378938892 /nfs/dbraw/zinc/93/88/92/378938892.db2.gz CSEQXCIOUJQHRV-OAHLLOKOSA-N 2 0 279.453 2.678 20 0 CFADRP C[C@@H](CC[NH+](C)C)NCc1cnc(-c2ccco2)s1 ZINC000278548139 194037136 /nfs/dbraw/zinc/03/71/36/194037136.db2.gz URKZCJZKPGAGLI-NSHDSACASA-N 2 0 279.409 2.833 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162549391 378917856 /nfs/dbraw/zinc/91/78/56/378917856.db2.gz DZSIRSJWJCWXNY-AWEZNQCLSA-N 2 0 264.413 2.761 20 0 CFADRP C[C@H]1CC[N@H+](Cc2coc3ccccc23)C[C@@H]1C[NH3+] ZINC000163481705 378976340 /nfs/dbraw/zinc/97/63/40/378976340.db2.gz XXMZLXFMAXGXKB-STQMWFEESA-N 2 0 258.365 2.850 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163441165 378972738 /nfs/dbraw/zinc/97/27/38/378972738.db2.gz CWSQLPCRFAZVTL-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@H](C)C1 ZINC000164062392 379004675 /nfs/dbraw/zinc/00/46/75/379004675.db2.gz XBVBDPLWRBKJBI-NVXWUHKLSA-N 2 0 276.424 2.775 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ncc(C3CC3)o1)CC[NH2+]CC2 ZINC000335280540 379019260 /nfs/dbraw/zinc/01/92/60/379019260.db2.gz UZENEDWDOCYSLG-GFCCVEGCSA-N 2 0 275.396 2.516 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccccc1N(C)C)CC[NH2+]CC2 ZINC000335280600 379019312 /nfs/dbraw/zinc/01/93/12/379019312.db2.gz WYDWYLREONUFJW-HNNXBMFYSA-N 2 0 287.451 2.717 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000165305985 379035813 /nfs/dbraw/zinc/03/58/13/379035813.db2.gz PHDIUMPVSZEDHT-WMZOPIPTSA-N 2 0 290.451 2.566 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000679872845 542245796 /nfs/dbraw/zinc/24/57/96/542245796.db2.gz AIIYIUDAHWMSOG-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP [NH3+][C@@H](CNCc1cnc(C2CC2)s1)c1ccccc1 ZINC000571862128 383733615 /nfs/dbraw/zinc/73/36/15/383733615.db2.gz GJVMUDFDAJXBMK-AWEZNQCLSA-N 2 0 273.405 2.810 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccco2)cc1 ZINC000264398951 383734745 /nfs/dbraw/zinc/73/47/45/383734745.db2.gz VIVMQJQLQBQLJI-UHFFFAOYSA-N 2 0 288.391 2.552 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccncc1Cl ZINC000334405211 379241712 /nfs/dbraw/zinc/24/17/12/379241712.db2.gz GBIBKRBTFYZFBJ-RYUDHWBXSA-N 2 0 265.788 2.798 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000278895559 194201179 /nfs/dbraw/zinc/20/11/79/194201179.db2.gz QKOZQBYXZRRAHA-INIZCTEOSA-N 2 0 278.440 2.738 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)cn1 ZINC000335501333 379410052 /nfs/dbraw/zinc/41/00/52/379410052.db2.gz RAXHDOAPIQZFSV-OIKLOGQESA-N 2 0 253.777 2.656 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H](C)C2 ZINC000335502033 379411492 /nfs/dbraw/zinc/41/14/92/379411492.db2.gz UAARIEOWHKDHMY-GUYCJALGSA-N 2 0 256.393 2.738 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)cs1 ZINC000334531365 379466938 /nfs/dbraw/zinc/46/69/38/379466938.db2.gz TUUCFSWETIEUPN-AAEUAGOBSA-N 2 0 261.394 2.919 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000335536830 379472934 /nfs/dbraw/zinc/47/29/34/379472934.db2.gz UMQNGKKAELNNSW-YIZWMMSDSA-N 2 0 262.422 2.941 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000172291101 379534463 /nfs/dbraw/zinc/53/44/63/379534463.db2.gz OWXDJXIMGYZGMB-OAHLLOKOSA-N 2 0 258.409 2.559 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC000529586423 383738039 /nfs/dbraw/zinc/73/80/39/383738039.db2.gz ULSOHPUZMDLHAH-KRWDZBQOSA-N 2 0 269.392 2.696 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335565077 379518965 /nfs/dbraw/zinc/51/89/65/379518965.db2.gz NCKQKBMKQLFJRR-YJBOKZPZSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)C1C[NH2+]C1 ZINC000335600727 379586472 /nfs/dbraw/zinc/58/64/72/379586472.db2.gz ASSBMTAYUXIGRT-OTYXRUKQSA-N 2 0 250.773 2.525 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000335606061 379594246 /nfs/dbraw/zinc/59/42/46/379594246.db2.gz CUXNJJQCCIYSKD-WCBMZHEXSA-N 2 0 289.242 2.550 20 0 CFADRP FC(F)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335609499 379598130 /nfs/dbraw/zinc/59/81/30/379598130.db2.gz DDKDLPRLZWJHLJ-ACDMLXGOSA-N 2 0 258.356 2.683 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000334644092 379694601 /nfs/dbraw/zinc/69/46/01/379694601.db2.gz AYUOVSQXOLHARZ-NSHDSACASA-N 2 0 279.746 2.849 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000334651604 379710682 /nfs/dbraw/zinc/71/06/82/379710682.db2.gz BHJVHCZPXVURQL-HUUCEWRRSA-N 2 0 268.470 2.690 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC000173919695 379799242 /nfs/dbraw/zinc/79/92/42/379799242.db2.gz GOIULFYENVLASR-MRXNPFEDSA-N 2 0 272.436 2.949 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC000334765061 379909574 /nfs/dbraw/zinc/90/95/74/379909574.db2.gz PVJOJNJCYFPEQP-PKOBYXMFSA-N 2 0 293.414 2.932 20 0 CFADRP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCO1 ZINC000174398603 379878959 /nfs/dbraw/zinc/87/89/59/379878959.db2.gz BNQSNZFRECLTDZ-MSOLQXFVSA-N 2 0 288.435 2.619 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423080784 284810526 /nfs/dbraw/zinc/81/05/26/284810526.db2.gz AMHPLGASNQIMBW-WCXIOVBPSA-N 2 0 281.488 2.617 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000334870417 379936707 /nfs/dbraw/zinc/93/67/07/379936707.db2.gz PEAQLKAXRXWPTB-MRXNPFEDSA-N 2 0 280.456 2.941 20 0 CFADRP CCC1([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335009754 379956457 /nfs/dbraw/zinc/95/64/57/379956457.db2.gz HXVSFJZJPNWKNU-YOEHRIQHSA-N 2 0 272.392 2.775 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCC1 ZINC000335180754 379990635 /nfs/dbraw/zinc/99/06/35/379990635.db2.gz UAFWOUSUTJKZSZ-KBPBESRZSA-N 2 0 268.470 2.688 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335222180 380031692 /nfs/dbraw/zinc/03/16/92/380031692.db2.gz XPDNOVMAJQCWFA-CVEARBPZSA-N 2 0 269.392 2.984 20 0 CFADRP Cc1occc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335232287 380050718 /nfs/dbraw/zinc/05/07/18/380050718.db2.gz PVBZRSKSFLNCIY-MRXNPFEDSA-N 2 0 262.397 2.752 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)s1 ZINC000335254682 380089539 /nfs/dbraw/zinc/08/95/39/380089539.db2.gz GWDFSVHKYSMFSM-OAHLLOKOSA-N 2 0 294.464 2.552 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC[NH2+]1 ZINC000335254866 380089563 /nfs/dbraw/zinc/08/95/63/380089563.db2.gz CHQBWCGIVJUSAM-OLZOCXBDSA-N 2 0 296.846 2.562 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000335241687 380065303 /nfs/dbraw/zinc/06/53/03/380065303.db2.gz UYAKIIGUGRCCBA-NVXWUHKLSA-N 2 0 292.398 2.544 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC000175453422 380066248 /nfs/dbraw/zinc/06/62/48/380066248.db2.gz OLQAKEQZVDYPJV-VHSXEESVSA-N 2 0 273.833 2.711 20 0 CFADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000335253957 380087967 /nfs/dbraw/zinc/08/79/67/380087967.db2.gz GEGZVXLPJHCYIO-SJORKVTESA-N 2 0 292.467 2.677 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335928584 380118212 /nfs/dbraw/zinc/11/82/12/380118212.db2.gz DAHKUJCAYJQIAM-SFHVURJKSA-N 2 0 297.402 2.516 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000175720852 380120441 /nfs/dbraw/zinc/12/04/41/380120441.db2.gz ARCYYMKLQWAWRL-PBHICJAKSA-N 2 0 288.435 2.784 20 0 CFADRP Cc1ncccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000529662477 383743576 /nfs/dbraw/zinc/74/35/76/383743576.db2.gz QWYNXOOVWYRVRZ-UHFFFAOYSA-N 2 0 282.391 2.544 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000336021874 380249692 /nfs/dbraw/zinc/24/96/92/380249692.db2.gz QOVZBRYILVFQSC-MSOLQXFVSA-N 2 0 293.414 2.790 20 0 CFADRP c1cc2c(c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)c1)NCC2 ZINC000336056493 380258732 /nfs/dbraw/zinc/25/87/32/380258732.db2.gz PNZSJHDQQJKDNQ-KRWDZBQOSA-N 2 0 285.435 2.619 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cs1 ZINC000336056521 380259227 /nfs/dbraw/zinc/25/92/27/380259227.db2.gz RGEMPLAUPFJTSC-TZMCWYRMSA-N 2 0 250.411 2.885 20 0 CFADRP CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000176973740 380288153 /nfs/dbraw/zinc/28/81/53/380288153.db2.gz OSFOVCABTDZROW-YOEHRIQHSA-N 2 0 294.414 2.833 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451979623 383744733 /nfs/dbraw/zinc/74/47/33/383744733.db2.gz QFRIYEVBMAEILN-HNNXBMFYSA-N 2 0 270.486 2.937 20 0 CFADRP COCC1(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000423407714 284824742 /nfs/dbraw/zinc/82/47/42/284824742.db2.gz MZZCLQWJKOLNCU-YOEHRIQHSA-N 2 0 288.435 2.526 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000178119459 380411117 /nfs/dbraw/zinc/41/11/17/380411117.db2.gz HFHIRDQQKOVUAN-HUUCEWRRSA-N 2 0 298.471 2.961 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C(C)C ZINC000178159785 380415784 /nfs/dbraw/zinc/41/57/84/380415784.db2.gz WPCPVYBZAHUABN-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP COc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000336528546 380418416 /nfs/dbraw/zinc/41/84/16/380418416.db2.gz LZRKKPZCMZVESF-UHFFFAOYSA-N 2 0 274.408 2.755 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1(CC)CC ZINC000178977153 380498509 /nfs/dbraw/zinc/49/85/09/380498509.db2.gz WXYZJFIHYMZPDL-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@](C)([NH2+]CC1CC[NH2+]CC1)c1nc(C)cs1 ZINC000178982879 380498745 /nfs/dbraw/zinc/49/87/45/380498745.db2.gz AYUASJCIKASIHH-CQSZACIVSA-N 2 0 267.442 2.666 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1(CC)CC ZINC000178977169 380498791 /nfs/dbraw/zinc/49/87/91/380498791.db2.gz WXYZJFIHYMZPDL-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSC(C)C)[C@@H](C)C1 ZINC000336686563 380592705 /nfs/dbraw/zinc/59/27/05/380592705.db2.gz DZXSYKJLRXTZEX-KBPBESRZSA-N 2 0 258.475 2.790 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000336706994 380601096 /nfs/dbraw/zinc/60/10/96/380601096.db2.gz LQPHSHMWURYAOY-BXKDBHETSA-N 2 0 254.374 2.547 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)OC)C[C@H]1C ZINC000336784558 380629181 /nfs/dbraw/zinc/62/91/81/380629181.db2.gz ROFMDLZIPWPSFK-KGLIPLIRSA-N 2 0 256.434 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000336818017 380681277 /nfs/dbraw/zinc/68/12/77/380681277.db2.gz SVOFPMUJMHIFQO-NEPJUHHUSA-N 2 0 264.369 2.583 20 0 CFADRP COc1ccccc1C[N@H+](C)CCCn1ccnc1C ZINC000336823975 380693897 /nfs/dbraw/zinc/69/38/97/380693897.db2.gz SETGBCRKXCLZAO-UHFFFAOYSA-N 2 0 273.380 2.722 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCC[C@@H]2CCOC2)CC1 ZINC000645789763 383748519 /nfs/dbraw/zinc/74/85/19/383748519.db2.gz UBRMIHRBCPSRDL-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2=CCCC2)CC1 ZINC000645786820 383748752 /nfs/dbraw/zinc/74/87/52/383748752.db2.gz CHQSCKWFRWTXSS-CALCHBBNSA-N 2 0 291.483 2.587 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645791939 383749453 /nfs/dbraw/zinc/74/94/53/383749453.db2.gz CCDQRCDBEFYYGB-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000181392868 380785655 /nfs/dbraw/zinc/78/56/55/380785655.db2.gz RCHAFGRGLWUIBB-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)CC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000341181086 380817911 /nfs/dbraw/zinc/81/79/11/380817911.db2.gz FNAVABYBJBQAMY-TWGQIWQCSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@H]([NH2+]CCCCCO)c1ccc(-n2ccnc2)cc1 ZINC000181556641 380825676 /nfs/dbraw/zinc/82/56/76/380825676.db2.gz GTNUMXDGQXGEOA-AWEZNQCLSA-N 2 0 273.380 2.686 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000346998564 380863114 /nfs/dbraw/zinc/86/31/14/380863114.db2.gz DDHGGGIGSXUJLI-OAHLLOKOSA-N 2 0 276.424 2.743 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000181700604 380865991 /nfs/dbraw/zinc/86/59/91/380865991.db2.gz AIHJFEJWSCTFBD-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401019501 380866449 /nfs/dbraw/zinc/86/64/49/380866449.db2.gz KBECPZZQMYSGOM-JJAZEVLHSA-N 2 0 276.399 2.734 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccs1 ZINC000400941759 380867421 /nfs/dbraw/zinc/86/74/21/380867421.db2.gz DAKJKRKLFJQQKN-QNWHQSFQSA-N 2 0 250.411 2.787 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401068153 380869676 /nfs/dbraw/zinc/86/96/76/380869676.db2.gz JFZJJCNSHILXBO-JXLIZBIESA-N 2 0 282.497 2.886 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000347006278 380871961 /nfs/dbraw/zinc/87/19/61/380871961.db2.gz PMRLNBVWSBFVRU-OAHLLOKOSA-N 2 0 290.451 2.805 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287423846 380829312 /nfs/dbraw/zinc/82/93/12/380829312.db2.gz KFNYOBRESSIMJI-MJSCVDMRSA-N 2 0 290.451 2.601 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000346976848 380838258 /nfs/dbraw/zinc/83/82/58/380838258.db2.gz KHFREAHWWCHWEJ-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)([NH2+]CC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000346991231 380854568 /nfs/dbraw/zinc/85/45/68/380854568.db2.gz TYEAJONLTVGMJT-UHFFFAOYSA-N 2 0 268.351 2.789 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000400362078 380856458 /nfs/dbraw/zinc/85/64/58/380856458.db2.gz CIYJLWVSXYJQCG-CGTJXYLNSA-N 2 0 289.467 2.800 20 0 CFADRP Cc1ccc(CCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000181880696 380927434 /nfs/dbraw/zinc/92/74/34/380927434.db2.gz YTLRMOXBDXXPFH-KRWDZBQOSA-N 2 0 260.425 2.811 20 0 CFADRP Clc1cccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358502415 380885355 /nfs/dbraw/zinc/88/53/55/380885355.db2.gz BQNNXTFRVJTCGP-UHFFFAOYSA-N 2 0 294.826 2.794 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000181785929 380894351 /nfs/dbraw/zinc/89/43/51/380894351.db2.gz SQWCZZQISYZWEN-VDHUWJSZSA-N 2 0 287.451 2.504 20 0 CFADRP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347037973 380896739 /nfs/dbraw/zinc/89/67/39/380896739.db2.gz GHCWPTJFYZZSIJ-MRXNPFEDSA-N 2 0 276.424 2.892 20 0 CFADRP CCC[N@H+](Cc1ccc(NC(C)=O)cc1)C1CC[NH2+]CC1 ZINC000347040333 380898204 /nfs/dbraw/zinc/89/82/04/380898204.db2.gz HWLNUURFGKVEKH-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP CCCC(CCC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000341284226 380901057 /nfs/dbraw/zinc/90/10/57/380901057.db2.gz QSLMZCBDOUTIRO-UHFFFAOYSA-N 2 0 270.461 2.780 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000347047978 380904098 /nfs/dbraw/zinc/90/40/98/380904098.db2.gz PGCPGTMWDMMQTR-LBPRGKRZSA-N 2 0 293.480 2.699 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000347056448 380911859 /nfs/dbraw/zinc/91/18/59/380911859.db2.gz VGVAIZIMLDUUGI-YOEHRIQHSA-N 2 0 276.424 2.891 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@]2(C)OCCc3sccc32)CC1 ZINC000368082991 380916179 /nfs/dbraw/zinc/91/61/79/380916179.db2.gz HURZYIRTKMOETN-MRXNPFEDSA-N 2 0 294.464 2.610 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000341303142 380918709 /nfs/dbraw/zinc/91/87/09/380918709.db2.gz OMPGDYUBRWJJIF-KBPBESRZSA-N 2 0 268.445 2.533 20 0 CFADRP C[NH2+]CC1CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000347115391 380949327 /nfs/dbraw/zinc/94/93/27/380949327.db2.gz TUVWULCOEWRMRO-ALCCZGGFSA-N 2 0 274.408 2.640 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000182078637 380984845 /nfs/dbraw/zinc/98/48/45/380984845.db2.gz RSDDKKLVTJYABW-NVXWUHKLSA-N 2 0 260.425 2.749 20 0 CFADRP [NH3+]C[C@@H]1CCCCN1Cc1cc2cc(F)ccc2o1 ZINC000347115522 380949624 /nfs/dbraw/zinc/94/96/24/380949624.db2.gz USEDARVANCTPNJ-ZDUSSCGKSA-N 2 0 262.328 2.885 20 0 CFADRP CCCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347137521 380963354 /nfs/dbraw/zinc/96/33/54/380963354.db2.gz UQZDMXSFZLJWCI-CQSZACIVSA-N 2 0 262.397 2.646 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000353931527 380965861 /nfs/dbraw/zinc/96/58/61/380965861.db2.gz QWUCFEQTBUGGFB-GASCZTMLSA-N 2 0 298.471 2.533 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000368242574 380966839 /nfs/dbraw/zinc/96/68/39/380966839.db2.gz NKRFJFNDDAJILK-OYSTVDSJSA-N 2 0 282.431 2.959 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000182035913 380972313 /nfs/dbraw/zinc/97/23/13/380972313.db2.gz USRLVBLHGFVWLF-JSGCOSHPSA-N 2 0 280.387 2.969 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H]2CCC[C@@H]21 ZINC000353948470 380979329 /nfs/dbraw/zinc/97/93/29/380979329.db2.gz UZEQHPHADKIPDN-ULQDDVLXSA-N 2 0 299.462 2.966 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000181922564 380936210 /nfs/dbraw/zinc/93/62/10/380936210.db2.gz HJLRQYVAIOAGGH-CQSZACIVSA-N 2 0 289.423 2.782 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000368136070 380940067 /nfs/dbraw/zinc/94/00/67/380940067.db2.gz SVRBBSIZQGIPPZ-AWEZNQCLSA-N 2 0 268.470 2.546 20 0 CFADRP Cc1nccn1CC[N@@H+](C)CCc1ccccc1C ZINC000295693349 381020495 /nfs/dbraw/zinc/02/04/95/381020495.db2.gz LTPGXKSCSSHIMZ-UHFFFAOYSA-N 2 0 257.381 2.674 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccncc2)CC[NH+](C)CC1 ZINC000353612573 295583121 /nfs/dbraw/zinc/58/31/21/295583121.db2.gz SEIGOXCXQZCJNR-CYBMUJFWSA-N 2 0 279.453 2.560 20 0 CFADRP C(COCC1CC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358708170 381025911 /nfs/dbraw/zinc/02/59/11/381025911.db2.gz AVGCFMYHMBXPQI-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CN(C)CC1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000341462339 381026716 /nfs/dbraw/zinc/02/67/16/381026716.db2.gz OBNIBEZQYMLASK-HOTGVXAUSA-N 2 0 258.409 2.864 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000347184236 380990334 /nfs/dbraw/zinc/99/03/34/380990334.db2.gz HBRQCKVTUDJIHO-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[NH+](CC1(C[N@@H+](CCC)C2CC2)COC1)C1CC1 ZINC000182129524 380996735 /nfs/dbraw/zinc/99/67/35/380996735.db2.gz SZYHGXSBXZBYGD-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH2+]C[C@@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000347199332 380998419 /nfs/dbraw/zinc/99/84/19/380998419.db2.gz IZPYDACZAFULRZ-ZDUSSCGKSA-N 2 0 287.432 2.851 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000347297063 381054855 /nfs/dbraw/zinc/05/48/55/381054855.db2.gz FUJMLOMTSGMKIT-QGZVFWFLSA-N 2 0 275.440 2.678 20 0 CFADRP CCc1nc(C)cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000341522806 381062856 /nfs/dbraw/zinc/06/28/56/381062856.db2.gz FRHKVBCFDMBGTK-CQSZACIVSA-N 2 0 290.455 2.693 20 0 CFADRP CCc1nc(C)cc(NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000341522932 381062897 /nfs/dbraw/zinc/06/28/97/381062897.db2.gz HFJUQBMXHNFPNG-OAHLLOKOSA-N 2 0 290.455 2.836 20 0 CFADRP CCc1nc(C)cc(NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000341522920 381063729 /nfs/dbraw/zinc/06/37/29/381063729.db2.gz HFJUQBMXHNFPNG-HNNXBMFYSA-N 2 0 290.455 2.836 20 0 CFADRP C(CC1CCOCC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000368495260 381045042 /nfs/dbraw/zinc/04/50/42/381045042.db2.gz SUGVOHAVKOXRLW-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NCc1cn2ccccc2n1 ZINC000289725311 381121965 /nfs/dbraw/zinc/12/19/65/381121965.db2.gz UYVIHNSJDRUGEP-CQSZACIVSA-N 2 0 274.412 2.544 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000354147656 381108917 /nfs/dbraw/zinc/10/89/17/381108917.db2.gz UUIVTIIPAKVQMU-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CC(C)(C)C2)C[C@@H](C)O1 ZINC000347387055 381115780 /nfs/dbraw/zinc/11/57/80/381115780.db2.gz CGFZKBAWQKRARB-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCCO1 ZINC000347388493 381118468 /nfs/dbraw/zinc/11/84/68/381118468.db2.gz CXDGMYZWRSYAHM-QGZVFWFLSA-N 2 0 280.456 2.896 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000354095462 381075832 /nfs/dbraw/zinc/07/58/32/381075832.db2.gz BBLONDCMYCEJSQ-OAHLLOKOSA-N 2 0 296.480 2.989 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182682865 381138199 /nfs/dbraw/zinc/13/81/99/381138199.db2.gz RXPNEJYJLVYBBH-AWEZNQCLSA-N 2 0 298.471 2.818 20 0 CFADRP Cc1ccc2nc(CN3CC[N@@H+](C4CC4)C[C@H](C)C3)cn2c1 ZINC000295958848 381181634 /nfs/dbraw/zinc/18/16/34/381181634.db2.gz HRVKIPQRXUKYRY-OAHLLOKOSA-N 2 0 298.434 2.559 20 0 CFADRP Cc1cnccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000295962657 381184225 /nfs/dbraw/zinc/18/42/25/381184225.db2.gz HXYSKBSDNLDHEV-KRWDZBQOSA-N 2 0 273.424 2.554 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CCC(C)(C)CC1 ZINC000182955700 381189236 /nfs/dbraw/zinc/18/92/36/381189236.db2.gz CRMBSGALGPCVNC-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000347522053 381198811 /nfs/dbraw/zinc/19/88/11/381198811.db2.gz AJDJRAUVOZPNPI-CQSZACIVSA-N 2 0 297.487 2.534 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000359001605 381206863 /nfs/dbraw/zinc/20/68/63/381206863.db2.gz MNIAVLJSVIPNIG-YHNBSYBMSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)C[C@H]21 ZINC000342087616 381210565 /nfs/dbraw/zinc/21/05/65/381210565.db2.gz PKGURYXCJCQRGE-YYQUZTFQSA-N 2 0 274.383 2.872 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2cnn(CC(C)C)c2)C1 ZINC000183361555 381259757 /nfs/dbraw/zinc/25/97/57/381259757.db2.gz UAHDEIPOKKQZBT-INIZCTEOSA-N 2 0 292.471 2.703 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cnn(CC(C)C)c2)C1 ZINC000183365047 381263281 /nfs/dbraw/zinc/26/32/81/381263281.db2.gz VDWALTSPNNDVGS-MRXNPFEDSA-N 2 0 292.471 2.703 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)OC ZINC000290018827 381263610 /nfs/dbraw/zinc/26/36/10/381263610.db2.gz CDIXCILSXDPJJB-GOEBONIOSA-N 2 0 294.439 2.703 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342308548 381266512 /nfs/dbraw/zinc/26/65/12/381266512.db2.gz HNDVERGTXMTADX-UONOGXRCSA-N 2 0 274.343 2.556 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000359043529 381231059 /nfs/dbraw/zinc/23/10/59/381231059.db2.gz DKXKQPWYFPMYQM-BBRMVZONSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000354382173 381236266 /nfs/dbraw/zinc/23/62/66/381236266.db2.gz GPWWEUHLQIKRHC-KURKYZTESA-N 2 0 293.499 2.810 20 0 CFADRP CCOc1ccccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359213850 381291461 /nfs/dbraw/zinc/29/14/61/381291461.db2.gz GUCZMXCGBLYIIJ-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290091987 381296573 /nfs/dbraw/zinc/29/65/73/381296573.db2.gz HLXOCVGKINBGEO-KFWWJZLASA-N 2 0 294.439 2.701 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cnn(-c2ccccc2)c1 ZINC000359228524 381299336 /nfs/dbraw/zinc/29/93/36/381299336.db2.gz XOXXEJSFKLIICV-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP CN1CC[NH+](CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000369510497 381276344 /nfs/dbraw/zinc/27/63/44/381276344.db2.gz GCOPIGFIUJSLHD-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP C([NH2+][C@@H]1CCCC12CCOCC2)C1CC[NH+](C2CC2)CC1 ZINC000369513297 381278913 /nfs/dbraw/zinc/27/89/13/381278913.db2.gz ZQBYYQJHPBFMNQ-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H]1CCCOC1 ZINC000342424014 381324839 /nfs/dbraw/zinc/32/48/39/381324839.db2.gz DITRYCNOUZMKEK-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CCCc2cc(CC)no2)C1 ZINC000347740918 381327336 /nfs/dbraw/zinc/32/73/36/381327336.db2.gz VNSULHTWPOEWEN-OAHLLOKOSA-N 2 0 293.455 2.833 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183852811 381330774 /nfs/dbraw/zinc/33/07/74/381330774.db2.gz NTLRTKUWPXNTHT-MCIONIFRSA-N 2 0 284.444 2.569 20 0 CFADRP CCc1cc(CCCN2CC[C@H](C[NH+]3CCCC3)C2)on1 ZINC000347753871 381333361 /nfs/dbraw/zinc/33/33/61/381333361.db2.gz VPMWXRDRRCEWEB-OAHLLOKOSA-N 2 0 291.439 2.587 20 0 CFADRP CC[C@@H]1CN(Cc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000183753186 381314970 /nfs/dbraw/zinc/31/49/70/381314970.db2.gz LWELTVRWANWUHM-QGZVFWFLSA-N 2 0 298.434 2.517 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183953827 381346218 /nfs/dbraw/zinc/34/62/18/381346218.db2.gz HRRCYOGYOHHNGX-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2COCC)CC1 ZINC000354582314 381351029 /nfs/dbraw/zinc/35/10/29/381351029.db2.gz YREFSLCOQFTWEG-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000347796718 381354642 /nfs/dbraw/zinc/35/46/42/381354642.db2.gz MTJYNIRXJSSLDS-KRWDZBQOSA-N 2 0 282.387 2.916 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359349908 381366376 /nfs/dbraw/zinc/36/63/76/381366376.db2.gz WLKCETNDSRREJR-OLZOCXBDSA-N 2 0 252.427 2.671 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000290301511 381376205 /nfs/dbraw/zinc/37/62/05/381376205.db2.gz BJKPNVDXVUEVER-MRXNPFEDSA-N 2 0 274.408 2.556 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000370205255 381404145 /nfs/dbraw/zinc/40/41/45/381404145.db2.gz YRJVTBUJESIBHO-QZTJIDSGSA-N 2 0 272.436 2.954 20 0 CFADRP CSC1(C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000347873332 381393279 /nfs/dbraw/zinc/39/32/79/381393279.db2.gz UVUPZUVEAOIVLK-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP CCc1oc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359477973 381428040 /nfs/dbraw/zinc/42/80/40/381428040.db2.gz WGQSMNVQIMKTDN-BETUJISGSA-N 2 0 270.376 2.646 20 0 CFADRP CN1CC[C@@H](C[N@H+](C)Cc2ccncc2)[C@@H]1c1cccnc1 ZINC000370409674 381444136 /nfs/dbraw/zinc/44/41/36/381444136.db2.gz HVCZUCZIZXDNCP-ROUUACIJSA-N 2 0 296.418 2.601 20 0 CFADRP Cc1ccncc1CCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000290484733 381448861 /nfs/dbraw/zinc/44/88/61/381448861.db2.gz OGBWXPIPHAVNOL-ZWKOTPCHSA-N 3 0 287.451 2.739 20 0 CFADRP Cc1ccncc1CCC[N@H+](C)CCCn1ccnc1 ZINC000290549011 381476369 /nfs/dbraw/zinc/47/63/69/381476369.db2.gz RSGIEKUCKZCSLW-UHFFFAOYSA-N 3 0 272.396 2.541 20 0 CFADRP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348287936 381480658 /nfs/dbraw/zinc/48/06/58/381480658.db2.gz IROIFSUJPORONB-NUJGCVRESA-N 2 0 289.467 2.579 20 0 CFADRP Cc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc(C)c1O ZINC000290504753 381456055 /nfs/dbraw/zinc/45/60/55/381456055.db2.gz WUAAKGIZYSJZJC-HZPDHXFCSA-N 2 0 274.408 2.535 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000290507583 381457920 /nfs/dbraw/zinc/45/79/20/381457920.db2.gz PKDCJGNRHZUHQQ-MAUKXSAKSA-N 2 0 298.434 2.644 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(C)c1O ZINC000290514857 381459716 /nfs/dbraw/zinc/45/97/16/381459716.db2.gz XFEGWHYTPQBBID-HOTGVXAUSA-N 2 0 276.424 2.971 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(CC)C2)[C@@H](C)C1 ZINC000342734303 381508197 /nfs/dbraw/zinc/50/81/97/381508197.db2.gz NNDDADAMOWEVLE-OTBWCIGPSA-N 2 0 282.472 2.902 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)o1 ZINC000290641873 381508310 /nfs/dbraw/zinc/50/83/10/381508310.db2.gz YNQZOWUPTKUHSL-CZUORRHYSA-N 2 0 262.397 2.758 20 0 CFADRP CCSCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348328674 381509851 /nfs/dbraw/zinc/50/98/51/381509851.db2.gz VISFZHASVNAXJE-CALCHBBNSA-N 2 0 290.476 2.803 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000359621848 381513441 /nfs/dbraw/zinc/51/34/41/381513441.db2.gz QUTCPNNBKXFALL-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[C@H]21 ZINC000290578949 381485812 /nfs/dbraw/zinc/48/58/12/381485812.db2.gz UJDZWSYUEZPDPB-YGTYDBBMSA-N 2 0 268.404 2.541 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000342700445 381488006 /nfs/dbraw/zinc/48/80/06/381488006.db2.gz QTYZARJWFHYFDO-HZPDHXFCSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1F ZINC000290580456 381488603 /nfs/dbraw/zinc/48/86/03/381488603.db2.gz UNEZYOOXSRFIGO-CJNGLKHVSA-N 2 0 264.388 2.906 20 0 CFADRP Cc1nccn1CCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370678837 381488637 /nfs/dbraw/zinc/48/86/37/381488637.db2.gz GYHYUSWCYQZKQN-UHFFFAOYSA-N 2 0 290.455 2.578 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000348308666 381495799 /nfs/dbraw/zinc/49/57/99/381495799.db2.gz FGYLEERCCSDSBI-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)COC ZINC000348311831 381498906 /nfs/dbraw/zinc/49/89/06/381498906.db2.gz JTEOGEZEFFMZBE-KKUMJFAQSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCCC[NH+]1CCOCC1 ZINC000359662778 381541193 /nfs/dbraw/zinc/54/11/93/381541193.db2.gz LAIJZJJYEKRTBX-ZDUSSCGKSA-N 2 0 296.377 2.810 20 0 CFADRP Clc1ccccc1O[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000296726157 381521547 /nfs/dbraw/zinc/52/15/47/381521547.db2.gz BZGCYEGKRKLOHP-AWEZNQCLSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@H](C[NH+](C)C)C1)OCc1ccccc1 ZINC000354920805 381521670 /nfs/dbraw/zinc/52/16/70/381521670.db2.gz PIKFPNSMATVAOO-SJLPKXTDSA-N 2 0 290.451 2.865 20 0 CFADRP CC1(C)SC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298181528 381579769 /nfs/dbraw/zinc/57/97/69/381579769.db2.gz VNSGGZWBEYTVMJ-CQSZACIVSA-N 2 0 277.437 2.534 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)COC)[C@@H](C)C1 ZINC000348413027 381557951 /nfs/dbraw/zinc/55/79/51/381557951.db2.gz OUDQMDXYFJMKEX-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000185190579 381559149 /nfs/dbraw/zinc/55/91/49/381559149.db2.gz TVUQVFXWKPMABL-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)c1 ZINC000414130033 381561609 /nfs/dbraw/zinc/56/16/09/381561609.db2.gz VSJMDQXXWGSWQZ-AWEZNQCLSA-N 2 0 276.424 2.996 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1OC ZINC000414203653 381571759 /nfs/dbraw/zinc/57/17/59/381571759.db2.gz ZQAUKKPZGSQRDI-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414684250 381598398 /nfs/dbraw/zinc/59/83/98/381598398.db2.gz VCCMFNPUKLCIDA-JKIFEVAISA-N 2 0 258.409 2.994 20 0 CFADRP CC(C)(C)[NH2+]CCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000414703253 381599498 /nfs/dbraw/zinc/59/94/98/381599498.db2.gz IQMOPBWIJJYHEN-KRWDZBQOSA-N 2 0 290.451 2.708 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414705431 381599524 /nfs/dbraw/zinc/59/95/24/381599524.db2.gz NJUHJIDAQMWEQX-GJZGRUSLSA-N 2 0 294.414 2.915 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000414691138 381600832 /nfs/dbraw/zinc/60/08/32/381600832.db2.gz OHMDGSDVWGIKOV-ZWKOTPCHSA-N 2 0 295.515 2.804 20 0 CFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414798302 381605347 /nfs/dbraw/zinc/60/53/47/381605347.db2.gz QCWUFJCPLJNZKN-DJIMGWMZSA-N 2 0 281.488 2.602 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414798425 381605561 /nfs/dbraw/zinc/60/55/61/381605561.db2.gz QLLPBFVRYXGFEH-SWLSCSKDSA-N 2 0 258.365 2.958 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414846263 381608059 /nfs/dbraw/zinc/60/80/59/381608059.db2.gz UMJJUGCLKVYXRB-IMJJTQAJSA-N 2 0 250.430 2.935 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000414843794 381606889 /nfs/dbraw/zinc/60/68/89/381606889.db2.gz CWRAQDFUNFAMFS-QJPTWQEYSA-N 2 0 264.335 2.697 20 0 CFADRP Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371289380 381585031 /nfs/dbraw/zinc/58/50/31/381585031.db2.gz KLGZCPSQQHZXNF-RCCFBDPRSA-N 2 0 288.435 2.679 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414828769 381608387 /nfs/dbraw/zinc/60/83/87/381608387.db2.gz MSJNQIWPFCYCIS-RDJZCZTQSA-N 2 0 260.425 2.905 20 0 CFADRP Cc1cccc2c(NC[C@@](C)(O)C[NH+](C)C)c(C)c[nH+]c12 ZINC000185359879 381611528 /nfs/dbraw/zinc/61/15/28/381611528.db2.gz UYLMNONTXAFEMR-QGZVFWFLSA-N 2 0 287.407 2.576 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414925268 381614162 /nfs/dbraw/zinc/61/41/62/381614162.db2.gz IIUFNYWRWGDITM-BZUAXINKSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc2c(s1)CCC2 ZINC000355108258 381615616 /nfs/dbraw/zinc/61/56/16/381615616.db2.gz AHANYQVSVMNKTB-RWMBFGLXSA-N 2 0 291.464 2.909 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414927855 381617650 /nfs/dbraw/zinc/61/76/50/381617650.db2.gz AENRCRUGACACDZ-GWCFXTLKSA-N 2 0 272.314 2.936 20 0 CFADRP CC[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+](CC)CC ZINC000359803838 381618013 /nfs/dbraw/zinc/61/80/13/381618013.db2.gz VKKCXUZQJMUZLW-LSDHHAIUSA-N 2 0 299.503 2.589 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000414930067 381620282 /nfs/dbraw/zinc/62/02/82/381620282.db2.gz SLCPUSNDSFGGMR-NWDGAFQWSA-N 2 0 288.313 2.945 20 0 CFADRP Cc1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1-c1ccccc1 ZINC000414931313 381622010 /nfs/dbraw/zinc/62/20/10/381622010.db2.gz ULPRYYBKPFIBLQ-CABCVRRESA-N 2 0 284.407 2.540 20 0 CFADRP CSc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000298435303 381624410 /nfs/dbraw/zinc/62/44/10/381624410.db2.gz XNTMVMHLWAGIEP-HIFRSBDPSA-N 2 0 294.464 2.516 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414936353 381626591 /nfs/dbraw/zinc/62/65/91/381626591.db2.gz ZGASAXABZZKDKC-BPUTZDHNSA-N 2 0 276.424 2.876 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414936036 381626919 /nfs/dbraw/zinc/62/69/19/381626919.db2.gz GMQHNPGMPYBVQR-OUCADQQQSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2)CC[NH2+]1 ZINC000414946021 381636238 /nfs/dbraw/zinc/63/62/38/381636238.db2.gz JEOQEPVWTZEZID-UKRRQHHQSA-N 2 0 264.438 2.650 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414944901 381636317 /nfs/dbraw/zinc/63/63/17/381636317.db2.gz QRAMYRJQHUBMHC-KEYYUXOJSA-N 2 0 276.424 2.604 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414944319 381636671 /nfs/dbraw/zinc/63/66/71/381636671.db2.gz PPBPWSXJBMVLHQ-SUMWQHHRSA-N 2 0 274.408 2.563 20 0 CFADRP Cc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1Br ZINC000414940354 381631810 /nfs/dbraw/zinc/63/18/10/381631810.db2.gz KGCRLZGGOWCQHY-UHFFFAOYSA-N 2 0 297.240 2.989 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C[C@H]1c1ccccc1 ZINC000414943347 381633835 /nfs/dbraw/zinc/63/38/35/381633835.db2.gz NRGFUWSLFPWADG-PEHHYFEISA-N 2 0 258.409 2.766 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1 ZINC000414957284 381649903 /nfs/dbraw/zinc/64/99/03/381649903.db2.gz VZZYKOWPNGAIPA-YWPYICTPSA-N 2 0 250.361 2.659 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000371518431 381650095 /nfs/dbraw/zinc/65/00/95/381650095.db2.gz HXQDLCCJSFLMEB-ZVZYQTTQSA-N 2 0 298.434 2.764 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(C)CCC(OC)CC2)CC1 ZINC000355138309 381639144 /nfs/dbraw/zinc/63/91/44/381639144.db2.gz USMBBPRMQYIVOM-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414951181 381642236 /nfs/dbraw/zinc/64/22/36/381642236.db2.gz HCDHSUXWCFEOBS-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCc2cccc(C)c2)CCC[NH2+]1 ZINC000414952919 381645354 /nfs/dbraw/zinc/64/53/54/381645354.db2.gz IUUBZLYYHXBWHK-FUHWJXTLSA-N 2 0 290.451 2.674 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000343036253 381655328 /nfs/dbraw/zinc/65/53/28/381655328.db2.gz ZWSSXXSAMXMZHM-MAUKXSAKSA-N 2 0 289.467 2.568 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](CO)C2)CC1 ZINC000348649718 381655563 /nfs/dbraw/zinc/65/55/63/381655563.db2.gz XTRJGAJYERGSIA-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000414969138 381666115 /nfs/dbraw/zinc/66/61/15/381666115.db2.gz JBFRIDAVCGHVDT-GDBMZVCRSA-N 2 0 268.445 2.561 20 0 CFADRP COCC1(C[NH2+]CC2CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000414970660 381667775 /nfs/dbraw/zinc/66/77/75/381667775.db2.gz HSRWGTLLMXNGJJ-UHFFFAOYSA-N 2 0 282.472 2.809 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414971030 381667785 /nfs/dbraw/zinc/66/77/85/381667785.db2.gz LCMITXUXWPAZNA-QGZVFWFLSA-N 2 0 298.434 2.803 20 0 CFADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000414972045 381667914 /nfs/dbraw/zinc/66/79/14/381667914.db2.gz XHBZIFMSWOGZQW-UHFFFAOYSA-N 2 0 275.440 2.930 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000414960348 381653466 /nfs/dbraw/zinc/65/34/66/381653466.db2.gz APOOELXWEOUMSW-INIZCTEOSA-N 2 0 276.424 2.953 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414959247 381653585 /nfs/dbraw/zinc/65/35/85/381653585.db2.gz XCYBXQYXBWSVTG-DZKIICNBSA-N 2 0 276.424 2.746 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000415016086 381709971 /nfs/dbraw/zinc/70/99/71/381709971.db2.gz PDKBIJNHHGLJAD-NSHDSACASA-N 2 0 294.830 2.834 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1OC(F)F ZINC000415016513 381710328 /nfs/dbraw/zinc/71/03/28/381710328.db2.gz COSPPSCIVGUXQO-JTQLQIEISA-N 2 0 288.338 2.514 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415019377 381713020 /nfs/dbraw/zinc/71/30/20/381713020.db2.gz VOHPJMJDVOLODI-CYBMUJFWSA-N 2 0 250.386 2.611 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000415019043 381713392 /nfs/dbraw/zinc/71/33/92/381713392.db2.gz VKRHJVHJNVKQAQ-GFCCVEGCSA-N 2 0 290.386 2.823 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415018742 381713512 /nfs/dbraw/zinc/71/35/12/381713512.db2.gz RFPYEJZQLBQNSW-OUAUKWLOSA-N 2 0 274.330 2.962 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000415019028 381713747 /nfs/dbraw/zinc/71/37/47/381713747.db2.gz VITVYDMBZVENFN-VIFPVBQESA-N 2 0 260.303 2.711 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000415021787 381714947 /nfs/dbraw/zinc/71/49/47/381714947.db2.gz IHCZEUHNNQBRAE-MGCOHNPYSA-N 2 0 273.833 2.651 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415021966 381715480 /nfs/dbraw/zinc/71/54/80/381715480.db2.gz ZBICGIDVIFBKJX-QWHCGFSZSA-N 2 0 252.377 2.864 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414980006 381675056 /nfs/dbraw/zinc/67/50/56/381675056.db2.gz VYDPAANHSARECU-IQIBNGDESA-N 2 0 274.408 2.686 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@H](C)C1 ZINC000414980076 381675332 /nfs/dbraw/zinc/67/53/32/381675332.db2.gz OVSAPSUWYNZNNE-PBHICJAKSA-N 2 0 287.451 2.865 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCN3)CC[NH2+]1 ZINC000414980164 381675453 /nfs/dbraw/zinc/67/54/53/381675453.db2.gz PFKXXVWXWGEJJT-HIFRSBDPSA-N 2 0 273.424 2.522 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414981533 381675870 /nfs/dbraw/zinc/67/58/70/381675870.db2.gz XZFXEGVWTNIQAQ-INIZCTEOSA-N 2 0 287.382 2.996 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355204816 381676274 /nfs/dbraw/zinc/67/62/74/381676274.db2.gz SBFZXSXSNWCUFP-OIISXLGYSA-N 2 0 258.409 2.754 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1OC(F)F ZINC000414983364 381677759 /nfs/dbraw/zinc/67/77/59/381677759.db2.gz BVCGLEHVMADHFE-JHJIOBLFSA-N 2 0 296.361 2.894 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000414986840 381681709 /nfs/dbraw/zinc/68/17/09/381681709.db2.gz CPRORYSJHORASO-JSGCOSHPSA-N 2 0 250.361 2.741 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414989290 381682896 /nfs/dbraw/zinc/68/28/96/381682896.db2.gz MXHKBZREKQNMMN-ZWNOBZJWSA-N 2 0 285.229 2.707 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000414991788 381684699 /nfs/dbraw/zinc/68/46/99/381684699.db2.gz BDPJHSTVWYLMSI-RDJZCZTQSA-N 2 0 288.435 2.661 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000414990712 381685313 /nfs/dbraw/zinc/68/53/13/381685313.db2.gz IZOYAJXYHXTWCB-MWLCHTKSSA-N 2 0 272.314 2.711 20 0 CFADRP CCn1nc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000414992564 381685600 /nfs/dbraw/zinc/68/56/00/381685600.db2.gz BUODFLVAPAMQEC-KGLIPLIRSA-N 2 0 286.423 2.663 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414994405 381687187 /nfs/dbraw/zinc/68/71/87/381687187.db2.gz DNAYGPQOYNGONP-XHDPSFHLSA-N 2 0 294.826 2.882 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(c2ccccc2)CC1 ZINC000415022459 381716585 /nfs/dbraw/zinc/71/65/85/381716585.db2.gz ZPRUAKOHOBTBMB-HNNXBMFYSA-N 2 0 275.440 2.763 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022272 381716693 /nfs/dbraw/zinc/71/66/93/381716693.db2.gz IUYFWBIPKWRODC-KKUMJFAQSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OC(F)(F)F ZINC000415022908 381716727 /nfs/dbraw/zinc/71/67/27/381716727.db2.gz MAFHDZXGRYGBBR-SNVBAGLBSA-N 2 0 276.302 2.802 20 0 CFADRP C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001929 381694450 /nfs/dbraw/zinc/69/44/50/381694450.db2.gz CUESOCFALHNIHP-LTIDMASMSA-N 2 0 262.441 2.933 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415001706 381694597 /nfs/dbraw/zinc/69/45/97/381694597.db2.gz LFMXGSWAIHKIRG-BHYGNILZSA-N 2 0 294.414 2.533 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415001707 381694870 /nfs/dbraw/zinc/69/48/70/381694870.db2.gz LFMXGSWAIHKIRG-USXIJHARSA-N 2 0 294.414 2.533 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000415001690 381695072 /nfs/dbraw/zinc/69/50/72/381695072.db2.gz VLRLIEMVJIBWIO-KOLCDFICSA-N 2 0 272.314 2.711 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000415004639 381696290 /nfs/dbraw/zinc/69/62/90/381696290.db2.gz YKZZGZWANBUMLK-DGCLKSJQSA-N 2 0 292.814 2.595 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415006208 381698622 /nfs/dbraw/zinc/69/86/22/381698622.db2.gz KEKIYFIRLXSCOB-QWHCGFSZSA-N 2 0 250.411 2.534 20 0 CFADRP CC(C)c1cnc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415005256 381698921 /nfs/dbraw/zinc/69/89/21/381698921.db2.gz IZBIAYNKFHLYLU-QWHCGFSZSA-N 2 0 279.453 2.744 20 0 CFADRP c1ccc(CSCC[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415010273 381704506 /nfs/dbraw/zinc/70/45/06/381704506.db2.gz OWQZTUOQXXADRW-DLBZAZTESA-N 2 0 290.476 2.898 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415010450 381704886 /nfs/dbraw/zinc/70/48/86/381704886.db2.gz PEQRWLVNIQZQFH-FPCDFSMTSA-N 2 0 250.430 2.790 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(OC)CCCCC2)C1 ZINC000359974535 381706525 /nfs/dbraw/zinc/70/65/25/381706525.db2.gz HMDPMZFEXONVDL-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000415013333 381707648 /nfs/dbraw/zinc/70/76/48/381707648.db2.gz KNVZFJQXMQOFQV-LLVKDONJSA-N 2 0 280.803 2.595 20 0 CFADRP C[C@@H]([NH2+]CCc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767646 381728564 /nfs/dbraw/zinc/72/85/64/381728564.db2.gz OHPPBOMIUOJRHI-WBVHZDCISA-N 2 0 287.451 2.867 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000415041079 381728957 /nfs/dbraw/zinc/72/89/57/381728957.db2.gz PNMLQFDMMZSRHF-GXFFZTMASA-N 2 0 283.213 2.666 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000415040670 381729215 /nfs/dbraw/zinc/72/92/15/381729215.db2.gz PCDYUAAEIVHREX-DZGCQCFKSA-N 2 0 292.423 2.701 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000415040676 381729326 /nfs/dbraw/zinc/72/93/26/381729326.db2.gz PCDYUAAEIVHREX-ZFWWWQNUSA-N 2 0 292.423 2.701 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000415043952 381730162 /nfs/dbraw/zinc/73/01/62/381730162.db2.gz RSNJYVKBNYZABT-OAHLLOKOSA-N 2 0 262.397 2.576 20 0 CFADRP CCC[C@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415042264 381730566 /nfs/dbraw/zinc/73/05/66/381730566.db2.gz QKVMHWADPIRLPK-SJORKVTESA-N 2 0 276.424 2.538 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415042883 381730820 /nfs/dbraw/zinc/73/08/20/381730820.db2.gz RJSFCFTZHHFJNV-BNOWGMLFSA-N 2 0 252.427 2.786 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415048735 381734757 /nfs/dbraw/zinc/73/47/57/381734757.db2.gz XHMNHNFLDACXAN-DZGCQCFKSA-N 2 0 262.397 2.691 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415047298 381734802 /nfs/dbraw/zinc/73/48/02/381734802.db2.gz VPGLXUXKPWYLNZ-XJKSGUPXSA-N 2 0 284.407 2.602 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415049248 381734900 /nfs/dbraw/zinc/73/49/00/381734900.db2.gz XOQPILKIPGXFRD-STQMWFEESA-N 2 0 250.411 2.626 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000415051263 381736237 /nfs/dbraw/zinc/73/62/37/381736237.db2.gz JHMAFQRWXCHNCH-MRXNPFEDSA-N 2 0 255.365 2.651 20 0 CFADRP CCCn1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415052822 381737857 /nfs/dbraw/zinc/73/78/57/381737857.db2.gz LPLGRBAUQQSTRE-KRWDZBQOSA-N 2 0 286.423 2.863 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc2c1 ZINC000415055678 381740100 /nfs/dbraw/zinc/74/01/00/381740100.db2.gz OREJEMQEJSQXCR-SJKOYZFVSA-N 2 0 288.391 2.858 20 0 CFADRP C=Cc1ccc(CC[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000291298083 381740478 /nfs/dbraw/zinc/74/04/78/381740478.db2.gz SEVFDTUJUMNNCT-UHFFFAOYSA-N 2 0 258.409 2.946 20 0 CFADRP CC(C)(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415054995 381740652 /nfs/dbraw/zinc/74/06/52/381740652.db2.gz FYBQLJHZPLGVBK-XPABHHOTSA-N 2 0 250.430 2.789 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000415054370 381741393 /nfs/dbraw/zinc/74/13/93/381741393.db2.gz NIGLLIPRCVYERZ-KRWDZBQOSA-N 2 0 270.376 2.962 20 0 CFADRP CC(C)[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056269 381743181 /nfs/dbraw/zinc/74/31/81/381743181.db2.gz PQSRRLXOAZAHKM-OPQOLIRYSA-N 2 0 293.499 2.617 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415057836 381743219 /nfs/dbraw/zinc/74/32/19/381743219.db2.gz UMYWXVDNXLAIKH-HTFDGFGYSA-N 2 0 274.408 2.625 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415060566 381746274 /nfs/dbraw/zinc/74/62/74/381746274.db2.gz YRIPZWIVSCXUQH-IAGOWNOFSA-N 2 0 288.435 2.968 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1OC ZINC000415063428 381748583 /nfs/dbraw/zinc/74/85/83/381748583.db2.gz PBQLLRRFYSGPNI-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](CCC3CC3)CC2)C[C@H](C)O1 ZINC000360047749 381748789 /nfs/dbraw/zinc/74/87/89/381748789.db2.gz YEZFFZJOFUIUHE-GJZGRUSLSA-N 2 0 280.456 2.608 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000415064141 381749318 /nfs/dbraw/zinc/74/93/18/381749318.db2.gz JZRVQFZEHNOLJP-MRXNPFEDSA-N 2 0 298.386 2.985 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH2+]C1CC1)C2 ZINC000415068260 381753107 /nfs/dbraw/zinc/75/31/07/381753107.db2.gz MDLQISPYKLIMKT-HNNXBMFYSA-N 2 0 264.800 2.539 20 0 CFADRP Cc1cc(C[NH2+]CCC[NH2+]C2CC2)cc2cccnc12 ZINC000415068850 381754853 /nfs/dbraw/zinc/75/48/53/381754853.db2.gz NRQUWCNINSRMPQ-UHFFFAOYSA-N 2 0 269.392 2.775 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000415069941 381757019 /nfs/dbraw/zinc/75/70/19/381757019.db2.gz PREOHLWVDLOTKL-KBAYOESNSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000415025347 381718326 /nfs/dbraw/zinc/71/83/26/381718326.db2.gz QQVMGCHMBRUUNW-NSHDSACASA-N 2 0 290.329 2.845 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415025962 381718387 /nfs/dbraw/zinc/71/83/87/381718387.db2.gz SGJJJMOFPKXERR-JTQLQIEISA-N 2 0 253.415 2.628 20 0 CFADRP Cc1ccc(-c2nc(C[NH2+][C@H](C)CCC[NH3+])co2)cc1 ZINC000415027389 381719339 /nfs/dbraw/zinc/71/93/39/381719339.db2.gz WOPQTAPMXDTVMR-CYBMUJFWSA-N 2 0 273.380 2.867 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415027968 381719539 /nfs/dbraw/zinc/71/95/39/381719539.db2.gz XOFZUUJLAISKIL-CYBMUJFWSA-N 2 0 272.396 2.602 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415028521 381721428 /nfs/dbraw/zinc/72/14/28/381721428.db2.gz YZIDNXYXUKUSQT-KLHDSHLOSA-N 2 0 268.445 2.546 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415030334 381721608 /nfs/dbraw/zinc/72/16/08/381721608.db2.gz FQIGWZXKZJQZBB-STQMWFEESA-N 2 0 258.365 2.958 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415028609 381721949 /nfs/dbraw/zinc/72/19/49/381721949.db2.gz ZCOICGZTBORVRD-SNVBAGLBSA-N 2 0 258.312 2.505 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415035036 381724344 /nfs/dbraw/zinc/72/43/44/381724344.db2.gz KJVCLVBDPILOIR-AAEUAGOBSA-N 2 0 282.815 2.956 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000415035350 381724940 /nfs/dbraw/zinc/72/49/40/381724940.db2.gz IQLYCKRQEXUREK-INIZCTEOSA-N 2 0 276.424 2.966 20 0 CFADRP CC(C)[C@@H](C)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)C(C)C)COC1 ZINC000360009249 381726036 /nfs/dbraw/zinc/72/60/36/381726036.db2.gz BKXWFJZTKNKJNC-IYBDPMFKSA-N 2 0 284.488 2.956 20 0 CFADRP CCCC[C@H](CC)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000348974464 381781592 /nfs/dbraw/zinc/78/15/92/381781592.db2.gz LPRYNKQAPXGZGQ-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C1(CO)CCCC1 ZINC000415100745 381782020 /nfs/dbraw/zinc/78/20/20/381782020.db2.gz HFDLKDBFUPSXFU-CQSZACIVSA-N 2 0 270.461 2.541 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1nc2c(s1)CCC2 ZINC000415103683 381783743 /nfs/dbraw/zinc/78/37/43/381783743.db2.gz CUGSHWQIAVUWGG-UNXYVOJBSA-N 2 0 279.453 2.800 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415105970 381784730 /nfs/dbraw/zinc/78/47/30/381784730.db2.gz NKZRWSHMHBOEQH-UHFFFAOYSA-N 2 0 282.815 2.956 20 0 CFADRP Cc1cc(CC[NH2+]C[C@H]([NH3+])CC(C)C)cc(C)c1O ZINC000415107055 381785226 /nfs/dbraw/zinc/78/52/26/381785226.db2.gz OMBFLWBKFCIVIN-OAHLLOKOSA-N 2 0 264.413 2.515 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000415111287 381786953 /nfs/dbraw/zinc/78/69/53/381786953.db2.gz UHJQULRCFKCAKG-GJZGRUSLSA-N 2 0 270.461 2.527 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415109354 381787271 /nfs/dbraw/zinc/78/72/71/381787271.db2.gz LQXBPOXPBWTAHJ-VYDXJSESSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415116815 381790510 /nfs/dbraw/zinc/79/05/10/381790510.db2.gz WJXDPRKVEFYZDY-GDBMZVCRSA-N 2 0 261.413 2.525 20 0 CFADRP CCOCc1ccccc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415119874 381790725 /nfs/dbraw/zinc/79/07/25/381790725.db2.gz XZRBSBVNCSWIJT-HUUCEWRRSA-N 2 0 276.424 2.701 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]2C2CCCCC2)CC[NH2+]1 ZINC000415119195 381790758 /nfs/dbraw/zinc/79/07/58/381790758.db2.gz XDQPRKKWNZKOJV-VDERGJSUSA-N 2 0 250.430 2.933 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000292171028 381791207 /nfs/dbraw/zinc/79/12/07/381791207.db2.gz DUXIHFIJYBLJSV-QGZVFWFLSA-N 2 0 267.376 2.767 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc2c1 ZINC000415120481 381792825 /nfs/dbraw/zinc/79/28/25/381792825.db2.gz GDMLDPYIXMREQY-JSGCOSHPSA-N 2 0 288.391 2.858 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415129724 381797783 /nfs/dbraw/zinc/79/77/83/381797783.db2.gz PMUWMKYSIQPJHJ-NFAWXSAZSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415076639 381763785 /nfs/dbraw/zinc/76/37/85/381763785.db2.gz SBNOBZDDPUHHNS-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CC[NH2+]C(C)(C)C)CC1 ZINC000415076532 381764158 /nfs/dbraw/zinc/76/41/58/381764158.db2.gz CVLPOZMTUMOZRG-UHFFFAOYSA-N 3 0 283.504 2.722 20 0 CFADRP c1ccc2cc(OCC[NH2+][C@@H]3CCC[NH2+]CC3)ccc2c1 ZINC000415080386 381765423 /nfs/dbraw/zinc/76/54/23/381765423.db2.gz JEGRTPPKZXOLGB-QGZVFWFLSA-N 2 0 284.403 2.950 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2csc(-c3ccco3)n2)CC[NH2+]1 ZINC000415079536 381765874 /nfs/dbraw/zinc/76/58/74/381765874.db2.gz HXVHTLAKCVCJFC-VXGBXAGGSA-N 2 0 291.420 2.881 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415081171 381766300 /nfs/dbraw/zinc/76/63/00/381766300.db2.gz JZFUZLKLDNCZIP-JKSUJKDBSA-N 2 0 260.425 2.966 20 0 CFADRP FC(F)(F)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372170238 381767661 /nfs/dbraw/zinc/76/76/61/381767661.db2.gz QHZULKYGTAXMRC-DGCLKSJQSA-N 2 0 276.346 2.888 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415081613 381767695 /nfs/dbraw/zinc/76/76/95/381767695.db2.gz KMBUMICEXCGIRZ-ZFWWWQNUSA-N 2 0 292.423 2.714 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000415083785 381769878 /nfs/dbraw/zinc/76/98/78/381769878.db2.gz NVBUGNCVVWIRIH-WCQYABFASA-N 2 0 282.815 2.826 20 0 CFADRP FC(F)(F)c1ccccc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415085735 381772139 /nfs/dbraw/zinc/77/21/39/381772139.db2.gz TVQXEMDAABBMBR-ZDUSSCGKSA-N 2 0 286.341 2.980 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000415087713 381773157 /nfs/dbraw/zinc/77/31/57/381773157.db2.gz UBZPTUVKAQYBTL-OLZOCXBDSA-N 2 0 282.815 2.697 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415087347 381773235 /nfs/dbraw/zinc/77/32/35/381773235.db2.gz SVHPJIPSEFVCFD-CQSZACIVSA-N 2 0 264.438 2.949 20 0 CFADRP FC(F)(F)c1ccccc1CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415087743 381773943 /nfs/dbraw/zinc/77/39/43/381773943.db2.gz WOIHPHHTHVSLNL-LBPRGKRZSA-N 2 0 286.341 2.837 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@@H]([NH3+])CC(C)C ZINC000415088748 381774533 /nfs/dbraw/zinc/77/45/33/381774533.db2.gz XUCPINOXMIHMPC-HNNXBMFYSA-N 2 0 264.413 2.727 20 0 CFADRP Cc1nccn1CC[N@H+](C)CCOc1ccccc1Cl ZINC000299016348 381799697 /nfs/dbraw/zinc/79/96/97/381799697.db2.gz HBVNQRDMLGCYRW-UHFFFAOYSA-N 2 0 293.798 2.856 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000415088724 381775279 /nfs/dbraw/zinc/77/52/79/381775279.db2.gz MISBPAKGZUNOEX-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP COc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1Cl ZINC000415089364 381775375 /nfs/dbraw/zinc/77/53/75/381775375.db2.gz WLJNSSIMWXJELF-UHFFFAOYSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000415089759 381775386 /nfs/dbraw/zinc/77/53/86/381775386.db2.gz WXNWSPNQYKRQFC-MNOVXSKESA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Cc1cccs1 ZINC000415088663 381775774 /nfs/dbraw/zinc/77/57/74/381775774.db2.gz WPFXRQJJNCZXRI-CHWSQXEVSA-N 2 0 252.427 2.658 20 0 CFADRP CCC(CC)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415131072 381799794 /nfs/dbraw/zinc/79/97/94/381799794.db2.gz YLIXMJQGGRDSRD-JKSUJKDBSA-N 2 0 264.388 2.988 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000361372853 381823932 /nfs/dbraw/zinc/82/39/32/381823932.db2.gz ABDYQEVZDLUUIG-XDNAFOTISA-N 2 0 294.483 2.876 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343595415 381824467 /nfs/dbraw/zinc/82/44/67/381824467.db2.gz BCCPUVJRTWIMEW-INIZCTEOSA-N 2 0 282.472 2.857 20 0 CFADRP COC1(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CCCCC1 ZINC000361495017 381836146 /nfs/dbraw/zinc/83/61/46/381836146.db2.gz BHEGQRYYBKVDOC-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccsc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000186159137 381838598 /nfs/dbraw/zinc/83/85/98/381838598.db2.gz SFDCMLGEVBBFOA-RYUDHWBXSA-N 2 0 268.426 2.749 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccs1 ZINC000349061991 381809595 /nfs/dbraw/zinc/80/95/95/381809595.db2.gz KJDMJEHJSUAXNK-OAHLLOKOSA-N 2 0 295.496 2.596 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000292806888 381843855 /nfs/dbraw/zinc/84/38/55/381843855.db2.gz ODGLRXCAEPSKIQ-QGZVFWFLSA-N 2 0 269.392 2.696 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCC(F)(F)F)CC1 ZINC000355893663 381811502 /nfs/dbraw/zinc/81/15/02/381811502.db2.gz RMWPRUDTGITIQK-UHFFFAOYSA-N 2 0 252.324 2.603 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000372898543 381887064 /nfs/dbraw/zinc/88/70/64/381887064.db2.gz VQZMTHXHOUBQPA-HOTGVXAUSA-N 2 0 266.429 2.506 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000372881310 381883138 /nfs/dbraw/zinc/88/31/38/381883138.db2.gz WYIGDUGOBYTVRO-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1(C)C ZINC000361672230 381854831 /nfs/dbraw/zinc/85/48/31/381854831.db2.gz FLVJIXDQWIZISN-CQJMVSDSSA-N 2 0 282.472 2.897 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361921772 381872936 /nfs/dbraw/zinc/87/29/36/381872936.db2.gz CWQVSDMCNAJFQV-FJIDUMEYSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1cccnc1 ZINC000361922401 381873443 /nfs/dbraw/zinc/87/34/43/381873443.db2.gz IPYNXXDUIZQWRS-PVAVHDDUSA-N 2 0 275.440 2.751 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000343699120 381894294 /nfs/dbraw/zinc/89/42/94/381894294.db2.gz YMERRXRLSQWNKT-RISCZKNCSA-N 2 0 286.341 2.788 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000186504859 381930103 /nfs/dbraw/zinc/93/01/03/381930103.db2.gz KMFAODSPRSOBIF-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1sc(C)nc1C ZINC000349384878 381920859 /nfs/dbraw/zinc/92/08/59/381920859.db2.gz QBQBGUPBNFFTGL-UHFFFAOYSA-N 2 0 255.431 2.534 20 0 CFADRP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000349385554 381921398 /nfs/dbraw/zinc/92/13/98/381921398.db2.gz XWLXOJHBQQNXFU-CQSXVVRXSA-N 2 0 294.483 2.946 20 0 CFADRP Cc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000292967457 381927017 /nfs/dbraw/zinc/92/70/17/381927017.db2.gz JYYCCXDTELTOKQ-UHFFFAOYSA-N 2 0 250.386 2.944 20 0 CFADRP CCC[N@@H+](C/C=C\c1ccncc1)CCC[NH+](C)C ZINC000349413789 381928434 /nfs/dbraw/zinc/92/84/34/381928434.db2.gz FLBQGGDUKIJKFW-ALCCZGGFSA-N 2 0 261.413 2.759 20 0 CFADRP CCC[N@@H+](C/C=C/c1ccncc1)CCC[NH+](C)C ZINC000349413791 381929355 /nfs/dbraw/zinc/92/93/55/381929355.db2.gz FLBQGGDUKIJKFW-FNORWQNLSA-N 2 0 261.413 2.759 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(C)COC2)CC1 ZINC000357017194 381966957 /nfs/dbraw/zinc/96/69/57/381966957.db2.gz SIQPXAUOONCFHR-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP Oc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000293047243 381967454 /nfs/dbraw/zinc/96/74/54/381967454.db2.gz RENNITRDXPRKJI-UHFFFAOYSA-N 2 0 262.397 2.748 20 0 CFADRP Cc1ccc(CCC2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000357022740 381970655 /nfs/dbraw/zinc/97/06/55/381970655.db2.gz BVCAZHNXRAJVKB-UHFFFAOYSA-N 2 0 290.451 2.615 20 0 CFADRP CC1(C[NH+]2CCOCC2)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000373186192 381944158 /nfs/dbraw/zinc/94/41/58/381944158.db2.gz NUABITULMZVCNG-INIZCTEOSA-N 2 0 278.440 2.529 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC(CC[NH+](C)C)CC2)CCO1 ZINC000357000425 381953252 /nfs/dbraw/zinc/95/32/52/381953252.db2.gz VYRJZONHEYHAJR-IRXDYDNUSA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+]CCOCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000357093359 382004776 /nfs/dbraw/zinc/00/47/76/382004776.db2.gz YCOBTJYWDCXLFA-UHFFFAOYSA-N 2 0 280.387 2.546 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCCSC)[C@H](C)C1 ZINC000186770668 382007974 /nfs/dbraw/zinc/00/79/74/382007974.db2.gz ZWISPUIWWJGVAQ-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccccc1F ZINC000349668900 381983473 /nfs/dbraw/zinc/98/34/73/381983473.db2.gz RUBCMPGMZSLRMP-AWEZNQCLSA-N 2 0 282.403 2.835 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000186789104 382015211 /nfs/dbraw/zinc/01/52/11/382015211.db2.gz LDPHHHRJJALKSA-DZOHQFGASA-N 2 0 294.483 2.923 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293249287 382047798 /nfs/dbraw/zinc/04/77/98/382047798.db2.gz BNFZBWGCJWBHGC-GJZGRUSLSA-N 2 0 294.439 2.560 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000300415675 382064646 /nfs/dbraw/zinc/06/46/46/382064646.db2.gz YKEJXMYVRUKDDG-RCCFBDPRSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1 ZINC000343935878 382028292 /nfs/dbraw/zinc/02/82/92/382028292.db2.gz PFMSCLMNYRKYRS-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1(C)CC1 ZINC000343941422 382030847 /nfs/dbraw/zinc/03/08/47/382030847.db2.gz TVTDHZLQARCRQM-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1[nH+]ccc(NCC[N@H+]2CCC[C@@H](C)C2)c1Cl ZINC000357321778 382107049 /nfs/dbraw/zinc/10/70/49/382107049.db2.gz GVKVHZBIMWMWJL-LLVKDONJSA-N 2 0 267.804 2.609 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000344079907 382115437 /nfs/dbraw/zinc/11/54/37/382115437.db2.gz OVMDGDZXZXLPNN-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CCn1cncc1CNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418046604 382116677 /nfs/dbraw/zinc/11/66/77/382116677.db2.gz PHHQZOWYLNVUGO-INIZCTEOSA-N 2 0 290.455 2.790 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417962513 382098862 /nfs/dbraw/zinc/09/88/62/382098862.db2.gz ZSHFEPWVPRRGJI-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@@H](C)[C@@H]1OC ZINC000344103227 382130235 /nfs/dbraw/zinc/13/02/35/382130235.db2.gz OGAJJHOZTJNEAO-BMFZPTHFSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000352041358 382144777 /nfs/dbraw/zinc/14/47/77/382144777.db2.gz XIDFAPJSYGCHQS-JJXSEGSLSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C)CCCC1 ZINC000344131286 382149836 /nfs/dbraw/zinc/14/98/36/382149836.db2.gz WAQWWOPHLRNAQH-UHFFFAOYSA-N 2 0 270.380 2.998 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000346215474 296326509 /nfs/dbraw/zinc/32/65/09/296326509.db2.gz KIFLVRPIBZKBCF-HZPDHXFCSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H](C)C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000357422588 382165079 /nfs/dbraw/zinc/16/50/79/382165079.db2.gz SNKIEDWZNQPTMR-HNNXBMFYSA-N 2 0 278.440 2.805 20 0 CFADRP C[N@H+](CC(C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000362618690 382172860 /nfs/dbraw/zinc/17/28/60/382172860.db2.gz ZTTIPKDMZOQFIF-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP COC[C@H](C)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000187397486 382173022 /nfs/dbraw/zinc/17/30/22/382173022.db2.gz UXZZGKPOKMECMF-MRXNPFEDSA-N 2 0 282.472 2.857 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000344218657 382205810 /nfs/dbraw/zinc/20/58/10/382205810.db2.gz MRWAYMPIHQFFHY-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2ccccn2)CC1 ZINC000362725062 382213553 /nfs/dbraw/zinc/21/35/53/382213553.db2.gz MFAKVNKIRCLNGS-GOSISDBHSA-N 2 0 287.451 2.820 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CCOC1(C)C)Cc1ccccc1 ZINC000293657448 382218473 /nfs/dbraw/zinc/21/84/73/382218473.db2.gz IYXFJMXLVXZOGO-INIZCTEOSA-N 2 0 276.424 2.666 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000362977603 382224899 /nfs/dbraw/zinc/22/48/99/382224899.db2.gz SDCKDPNWVJJHGE-UKRRQHHQSA-N 2 0 256.434 2.510 20 0 CFADRP CO[C@@H](CC(C)C)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000419180805 382235331 /nfs/dbraw/zinc/23/53/31/382235331.db2.gz APYHLSWZFDYBGO-INIZCTEOSA-N 2 0 270.461 2.852 20 0 CFADRP Cc1cn2c(n1)CC[C@H]([NH2+]CC1=Cc3ccccc3OC1)C2 ZINC000377513214 382282226 /nfs/dbraw/zinc/28/22/26/382282226.db2.gz XIYBYNBPSZSVHZ-INIZCTEOSA-N 2 0 295.386 2.572 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H](C)[C@H](OC)C23CCC3)[C@@H](C)C1 ZINC000363911754 382248956 /nfs/dbraw/zinc/24/89/56/382248956.db2.gz UVTGPVRLVIFEFI-GVRJEKJASA-N 2 0 280.456 2.510 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000187707850 382253214 /nfs/dbraw/zinc/25/32/14/382253214.db2.gz IXAGDZKYGLJXLF-ZBFHGGJFSA-N 2 0 295.496 2.815 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293761938 382267823 /nfs/dbraw/zinc/26/78/23/382267823.db2.gz SEQPLINLNJJURB-HUUCEWRRSA-N 2 0 278.440 2.804 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000357747699 382304907 /nfs/dbraw/zinc/30/49/07/382304907.db2.gz JJFSJSZSRRDGHE-LSDHHAIUSA-N 2 0 297.487 2.534 20 0 CFADRP C[N@@H+]([C@@H]1CCC(C)(C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624976 382305342 /nfs/dbraw/zinc/30/53/42/382305342.db2.gz KABKYTYRNXTJDJ-SJORKVTESA-N 2 0 293.499 2.665 20 0 CFADRP COc1ccccc1CCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420291356 382344270 /nfs/dbraw/zinc/34/42/70/382344270.db2.gz NKDKTKVKLZENFV-INIZCTEOSA-N 2 0 278.440 2.933 20 0 CFADRP CC(C)[C@@]1(CO)CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000293862286 382311026 /nfs/dbraw/zinc/31/10/26/382311026.db2.gz CDLNMPKOQRRSFL-KRWDZBQOSA-N 2 0 287.407 2.565 20 0 CFADRP Cc1cc(NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc[nH+]1 ZINC000364346790 382313942 /nfs/dbraw/zinc/31/39/42/382313942.db2.gz CHYFHJGAXPNDAO-CZUORRHYSA-N 2 0 287.432 2.978 20 0 CFADRP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352420300 382322565 /nfs/dbraw/zinc/32/25/65/382322565.db2.gz BEEZAEVGXMQOIL-JSGCOSHPSA-N 2 0 299.459 2.953 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000357790584 382324043 /nfs/dbraw/zinc/32/40/43/382324043.db2.gz NHYQHGNVCPHRBU-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP c1cc(C[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000364262833 382294370 /nfs/dbraw/zinc/29/43/70/382294370.db2.gz MJAPZXYAASKZLL-SFHVURJKSA-N 2 0 287.451 2.822 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357849570 382349043 /nfs/dbraw/zinc/34/90/43/382349043.db2.gz MEOCPEOWYPSQEM-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000420297715 382349181 /nfs/dbraw/zinc/34/91/81/382349181.db2.gz RMSIWWKBPWOODI-SNVBAGLBSA-N 2 0 287.329 2.660 20 0 CFADRP CSc1ccccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420297971 382349251 /nfs/dbraw/zinc/34/92/51/382349251.db2.gz ZITNGKOYWYJXNK-UHFFFAOYSA-N 2 0 294.464 2.738 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390647 382396282 /nfs/dbraw/zinc/39/62/82/382396282.db2.gz ZPGCIZOFZBDSOY-OLMNPRSZSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H](CC1CCCCC1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000680472209 542328138 /nfs/dbraw/zinc/32/81/38/542328138.db2.gz GUIIKDHJEYCVFQ-FVQBIDKESA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@@H](C)C[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301533 382351667 /nfs/dbraw/zinc/35/16/67/382351667.db2.gz LKSGEVLOWKKSKF-HIFRSBDPSA-N 2 0 264.413 2.715 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000357868505 382356184 /nfs/dbraw/zinc/35/61/84/382356184.db2.gz FUTHNKQEQDTRJP-XHSDSOJGSA-N 2 0 294.483 2.902 20 0 CFADRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307559 382357776 /nfs/dbraw/zinc/35/77/76/382357776.db2.gz BUISCLSURRRINZ-YOEHRIQHSA-N 2 0 298.434 2.710 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000420309525 382358161 /nfs/dbraw/zinc/35/81/61/382358161.db2.gz UDVNYHSXOMVXQN-SOLBZPMBSA-N 2 0 288.435 2.838 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420308424 382358245 /nfs/dbraw/zinc/35/82/45/382358245.db2.gz SDVCHMCXTUTIFS-IRXDYDNUSA-N 2 0 260.425 2.939 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000420308879 382358521 /nfs/dbraw/zinc/35/85/21/382358521.db2.gz KSVNQHMNDUQJOC-WCQYABFASA-N 2 0 267.442 2.662 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C(C)C)C2)cc1 ZINC000420311959 382360098 /nfs/dbraw/zinc/36/00/98/382360098.db2.gz WLZYCNGQIAGCFA-CVEARBPZSA-N 2 0 276.424 2.715 20 0 CFADRP FC(F)(F)CC[N@H+](CC[C@H]1CC[NH2+]C1)CC1CC1 ZINC000420311845 382360245 /nfs/dbraw/zinc/36/02/45/382360245.db2.gz WDVBHUNQDGSENA-LLVKDONJSA-N 2 0 264.335 2.650 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)sc1C ZINC000420310868 382360908 /nfs/dbraw/zinc/36/09/08/382360908.db2.gz GGOMLPHPXKBLBK-GJZGRUSLSA-N 2 0 293.480 2.939 20 0 CFADRP c1[nH]c2ncccc2c1C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420311939 382360962 /nfs/dbraw/zinc/36/09/62/382360962.db2.gz HIAHOTNXZXKJIP-CQSZACIVSA-N 2 0 298.434 2.742 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000420316685 382364343 /nfs/dbraw/zinc/36/43/43/382364343.db2.gz MDMXILLTIXMVBV-FUHWJXTLSA-N 2 0 287.451 2.587 20 0 CFADRP c1csc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420318446 382364590 /nfs/dbraw/zinc/36/45/90/382364590.db2.gz OBDXTNJGXVVANG-ZIAGYGMSSA-N 2 0 279.453 2.712 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420318376 382364692 /nfs/dbraw/zinc/36/46/92/382364692.db2.gz OPDCXWGNYGIQEC-RYUDHWBXSA-N 2 0 268.351 2.957 20 0 CFADRP c1csc([C@H]2CCCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420316837 382365056 /nfs/dbraw/zinc/36/50/56/382365056.db2.gz MKJZAUJCSBEMBU-QWHCGFSZSA-N 2 0 265.426 2.670 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420316233 382365194 /nfs/dbraw/zinc/36/51/94/382365194.db2.gz LXUAOBLVDHYUDD-FGTMMUONSA-N 3 0 293.499 2.572 20 0 CFADRP CC[C@](C)([NH2+]CC[C@@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000420321352 382365738 /nfs/dbraw/zinc/36/57/38/382365738.db2.gz RAVCBHBCGFVUMJ-JSGCOSHPSA-N 2 0 267.442 2.666 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420319165 382366005 /nfs/dbraw/zinc/36/60/05/382366005.db2.gz XGIRLHWXOZWJIZ-ZDUSSCGKSA-N 2 0 252.427 2.742 20 0 CFADRP CCC[N@H+](Cc1ccc(C)nc1C)C1CC[NH2+]CC1 ZINC000420320875 382366447 /nfs/dbraw/zinc/36/64/47/382366447.db2.gz QNKMJGHDVWIEPK-UHFFFAOYSA-N 2 0 261.413 2.662 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420326457 382370467 /nfs/dbraw/zinc/37/04/67/382370467.db2.gz XLICABIGJJNTQK-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698555 296329227 /nfs/dbraw/zinc/32/92/27/296329227.db2.gz KNLZAMMWLCDEKN-IDMDMSBLSA-N 3 0 293.499 2.889 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000107929022 542336580 /nfs/dbraw/zinc/33/65/80/542336580.db2.gz FOFCKQMRVSBRCP-LLVKDONJSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(F)c1F ZINC000420397805 382397613 /nfs/dbraw/zinc/39/76/13/382397613.db2.gz GHKCASRJTVVZPF-QWRGUYRKSA-N 2 0 254.324 2.615 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420397013 382397832 /nfs/dbraw/zinc/39/78/32/382397832.db2.gz FSUCLASWICTVGW-NWDGAFQWSA-N 2 0 280.416 2.568 20 0 CFADRP Cc1ccc([C@]2(C)CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420353867 382378879 /nfs/dbraw/zinc/37/88/79/382378879.db2.gz CJRGPOALVMNMHG-FUHWJXTLSA-N 2 0 272.436 2.958 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420354304 382379084 /nfs/dbraw/zinc/37/90/84/382379084.db2.gz CQNYYELLSOBRDJ-INIZCTEOSA-N 2 0 276.424 2.742 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000420356256 382380237 /nfs/dbraw/zinc/38/02/37/382380237.db2.gz GKBDNIOAAJUCKD-CQSZACIVSA-N 2 0 284.407 2.508 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352533986 382382538 /nfs/dbraw/zinc/38/25/38/382382538.db2.gz BWGQAVKHASMRNS-IOBAAEILSA-N 2 0 274.408 2.912 20 0 CFADRP C[C@@H](C[N@H+](C)CCC1CC[NH2+]CC1)c1nccs1 ZINC000420362001 382383980 /nfs/dbraw/zinc/38/39/80/382383980.db2.gz NWFKXRHTPUETOH-LBPRGKRZSA-N 2 0 267.442 2.568 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420363694 382385390 /nfs/dbraw/zinc/38/53/90/382385390.db2.gz BWYPZSYBPNDTFZ-OAHLLOKOSA-N 2 0 276.428 2.553 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCO1 ZINC000346498832 382386068 /nfs/dbraw/zinc/38/60/68/382386068.db2.gz SVCAZKIYCPAPRK-MAUKXSAKSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)(C)CC[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000188352814 382398221 /nfs/dbraw/zinc/39/82/21/382398221.db2.gz ZCEHKKDAMJTFJU-QGZVFWFLSA-N 2 0 290.451 2.779 20 0 CFADRP CCCOc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420365704 382387934 /nfs/dbraw/zinc/38/79/34/382387934.db2.gz FEKPHHBHGMOMKM-HNNXBMFYSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCF ZINC000346503332 382389385 /nfs/dbraw/zinc/38/93/85/382389385.db2.gz QHIMBIZEWVBKJK-ZIAGYGMSSA-N 2 0 264.388 2.702 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000420396716 382398500 /nfs/dbraw/zinc/39/85/00/382398500.db2.gz WEOIRNPCMSKFQX-IAGOWNOFSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H](C[NH2+]C1CC(OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000352553967 382393272 /nfs/dbraw/zinc/39/32/72/382393272.db2.gz DXXUTFWWDKCMPJ-NFOMZHRRSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2COc3c(C)cccc3C2)CC1 ZINC000377796834 382347015 /nfs/dbraw/zinc/34/70/15/382347015.db2.gz VIYXFWAXPFMDRY-QGZVFWFLSA-N 2 0 288.435 2.763 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000420297329 382347245 /nfs/dbraw/zinc/34/72/45/382347245.db2.gz CXQJTTSCTMKHHR-ZIAGYGMSSA-N 2 0 262.397 2.775 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420297324 382348324 /nfs/dbraw/zinc/34/83/24/382348324.db2.gz YOMPEGHGHMOBDS-TZMCWYRMSA-N 2 0 252.427 2.740 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000346633484 382447518 /nfs/dbraw/zinc/44/75/18/382447518.db2.gz DWSFMFOZVGFHLR-YOEHRIQHSA-N 2 0 281.403 2.918 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365637051 382428695 /nfs/dbraw/zinc/42/86/95/382428695.db2.gz OOWWZEMGVYOTHD-LMMKCTJWSA-N 2 0 299.462 2.669 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000346606166 382433664 /nfs/dbraw/zinc/43/36/64/382433664.db2.gz JOVFXVOACQTUPK-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000346629500 382443658 /nfs/dbraw/zinc/44/36/58/382443658.db2.gz AZWSVQZQHFNACF-WCQYABFASA-N 2 0 279.453 2.970 20 0 CFADRP [NH3+]C1CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000346631906 382445300 /nfs/dbraw/zinc/44/53/00/382445300.db2.gz DEQWDRPBNBBFLI-UHFFFAOYSA-N 2 0 274.408 2.931 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420401748 382399323 /nfs/dbraw/zinc/39/93/23/382399323.db2.gz JHWKRLWTOQHZEF-HOCLYGCPSA-N 2 0 276.424 2.545 20 0 CFADRP C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000420409181 382401205 /nfs/dbraw/zinc/40/12/05/382401205.db2.gz QHLRSHRPSOLGCR-UKRRQHHQSA-N 2 0 264.388 2.675 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000378134012 382404396 /nfs/dbraw/zinc/40/43/96/382404396.db2.gz IHVVCUOWSSLIAQ-AWEZNQCLSA-N 2 0 268.470 2.690 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@H]1CCCO1)C(C)C ZINC000346547701 382407361 /nfs/dbraw/zinc/40/73/61/382407361.db2.gz CJUPUWGQMBBWLT-LSDHHAIUSA-N 2 0 256.434 2.652 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000346551467 382408440 /nfs/dbraw/zinc/40/84/40/382408440.db2.gz FVCXSODUYNMROC-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCCCCC1 ZINC000346550938 382409258 /nfs/dbraw/zinc/40/92/58/382409258.db2.gz DUZURUNKKBNZEO-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)[C@H](C)C1 ZINC000358017036 382410679 /nfs/dbraw/zinc/41/06/79/382410679.db2.gz NYNCRDYICMZHPP-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCC(C)CC2)C1 ZINC000304743253 382416522 /nfs/dbraw/zinc/41/65/22/382416522.db2.gz UPWFXXIWYJBUFC-CGZBRXJRSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352701241 382449831 /nfs/dbraw/zinc/44/98/31/382449831.db2.gz GULGTJQYYCHVKQ-UHFFFAOYSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H](CO)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000378403179 382456023 /nfs/dbraw/zinc/45/60/23/382456023.db2.gz MZMXQXJAMDQLOK-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000352721903 382459378 /nfs/dbraw/zinc/45/93/78/382459378.db2.gz MOUOUULVYRYGBV-RDJZCZTQSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000352721901 382459400 /nfs/dbraw/zinc/45/94/00/382459400.db2.gz MOUOUULVYRYGBV-NVXWUHKLSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000346666761 382462449 /nfs/dbraw/zinc/46/24/49/382462449.db2.gz YWOWZMUGNQJBNU-DZGCQCFKSA-N 2 0 290.455 2.637 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000188715428 382462845 /nfs/dbraw/zinc/46/28/45/382462845.db2.gz MGWWGGAKUGUPLH-TZMCWYRMSA-N 2 0 298.377 2.903 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c(C)c1 ZINC000358132045 382464078 /nfs/dbraw/zinc/46/40/78/382464078.db2.gz CKWJMTVXVLHDGN-INIZCTEOSA-N 2 0 261.413 2.878 20 0 CFADRP CN(Cc1cnc(C(C)(C)C)s1)CC(C)(C)C[NH3+] ZINC000346673606 382465086 /nfs/dbraw/zinc/46/50/86/382465086.db2.gz IGJWHELDYSNABU-UHFFFAOYSA-N 2 0 269.458 2.857 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000346691444 382473980 /nfs/dbraw/zinc/47/39/80/382473980.db2.gz VTHUJFNOJYSFQN-GDBMZVCRSA-N 2 0 281.403 2.918 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000346692768 382476487 /nfs/dbraw/zinc/47/64/87/382476487.db2.gz IUHWLGNABVLBDR-MRXNPFEDSA-N 2 0 286.423 2.882 20 0 CFADRP Clc1ccc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000308466092 382477804 /nfs/dbraw/zinc/47/78/04/382477804.db2.gz XTHYHFGPYQFECO-CQSZACIVSA-N 2 0 278.827 2.956 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000346694526 382478606 /nfs/dbraw/zinc/47/86/06/382478606.db2.gz URWROZQLTUMMLV-UONOGXRCSA-N 2 0 284.407 2.554 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc2cccnc12 ZINC000346813378 382526013 /nfs/dbraw/zinc/52/60/13/382526013.db2.gz AZPOJDOJLBWDDG-BBWFWOEESA-N 2 0 281.403 2.712 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000381926410 382526298 /nfs/dbraw/zinc/52/62/98/382526298.db2.gz OWVYHSKKUSRLCA-JHJVBQTASA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000382216850 382529325 /nfs/dbraw/zinc/52/93/25/382529325.db2.gz QAKDGODGTXNEEV-AEGPPILISA-N 2 0 262.372 2.818 20 0 CFADRP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000311595096 382506395 /nfs/dbraw/zinc/50/63/95/382506395.db2.gz BFNKLNXZQVKTBB-OIISXLGYSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000379656286 382507503 /nfs/dbraw/zinc/50/75/03/382507503.db2.gz ORENSEKZOUTBKT-BPQIPLTHSA-N 2 0 289.467 2.757 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000312702862 382515523 /nfs/dbraw/zinc/51/55/23/382515523.db2.gz OBIVUWDRDRKXIG-JYJNAYRXSA-N 2 0 278.440 2.539 20 0 CFADRP CC(C)C(C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(C)C ZINC000366485355 382518136 /nfs/dbraw/zinc/51/81/36/382518136.db2.gz BGWAREUXCAUWPX-MRXNPFEDSA-N 2 0 252.446 2.942 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000366597984 382529041 /nfs/dbraw/zinc/52/90/41/382529041.db2.gz MRKSJMWFNYMZRZ-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP CCN1CCC([N@H+](C)CCCc2ccc(C)nc2)CC1 ZINC000353386227 382540023 /nfs/dbraw/zinc/54/00/23/382540023.db2.gz XBMJRMWBIUXGAK-UHFFFAOYSA-N 3 0 275.440 2.739 20 0 CFADRP COc1c(C)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000346845342 382541234 /nfs/dbraw/zinc/54/12/34/382541234.db2.gz MYLQHKOJNMQYNP-YESZJQIVSA-N 2 0 288.435 2.871 20 0 CFADRP c1cc(C2CC2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383255487 382541346 /nfs/dbraw/zinc/54/13/46/382541346.db2.gz BQQUGBZQIRMKDL-HDICACEKSA-N 2 0 270.420 2.995 20 0 CFADRP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCC[NH2+]C1 ZINC000346848823 382542926 /nfs/dbraw/zinc/54/29/26/382542926.db2.gz ODIVXUYLIDENOR-INIZCTEOSA-N 2 0 287.451 2.718 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189106629 382543905 /nfs/dbraw/zinc/54/39/05/382543905.db2.gz ISLIPHOYRIGRLJ-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC000346863007 382550672 /nfs/dbraw/zinc/55/06/72/382550672.db2.gz LRZUIKPVCOWWSE-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000346870295 382553217 /nfs/dbraw/zinc/55/32/17/382553217.db2.gz UHNLPRAPOAEIPC-KEYYUXOJSA-N 2 0 293.430 2.946 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC12CCCC2 ZINC000189148489 382553513 /nfs/dbraw/zinc/55/35/13/382553513.db2.gz VPTUWXRWENCGPB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CN1CCC([NH2+]C2(Cc3ccccc3)CCC2)CC1 ZINC000346932749 382576560 /nfs/dbraw/zinc/57/65/60/382576560.db2.gz DFLSRWOHXMPIHF-UHFFFAOYSA-N 2 0 258.409 2.836 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384561099 382555255 /nfs/dbraw/zinc/55/52/55/382555255.db2.gz HSZXDHLOBJWEGR-BYNSBNAKSA-N 2 0 256.434 2.652 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346876223 382555882 /nfs/dbraw/zinc/55/58/82/382555882.db2.gz JMHWZWPPSRNYQG-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C12CCC2 ZINC000353533046 382556812 /nfs/dbraw/zinc/55/68/12/382556812.db2.gz XDUYNPRDBGDDRQ-OVYGPGRDSA-N 2 0 292.467 2.797 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000353563606 382559925 /nfs/dbraw/zinc/55/99/25/382559925.db2.gz UIRZJGYRJWNJDC-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](C[NH2+]C[C@]1(C)CCCS1)C[NH+]1CCCCC1 ZINC000385470485 382571556 /nfs/dbraw/zinc/57/15/56/382571556.db2.gz AIPHEHZBZYCEGE-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353603601 382574316 /nfs/dbraw/zinc/57/43/16/382574316.db2.gz GYTLOHWLYWWRNX-IKGGRYGDSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346827223 382531401 /nfs/dbraw/zinc/53/14/01/382531401.db2.gz HWZSDHJEEDFIQF-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP C[C@@H]1C[C@@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000346826107 382532147 /nfs/dbraw/zinc/53/21/47/382532147.db2.gz DVKDZRRWHWGKFP-WBVHZDCISA-N 2 0 289.467 2.709 20 0 CFADRP CC[C@@](C)(C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C)OC ZINC000319586038 382534489 /nfs/dbraw/zinc/53/44/89/382534489.db2.gz HQAJXTHLHZHZBD-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000353294276 382534769 /nfs/dbraw/zinc/53/47/69/382534769.db2.gz UNWHUWPVLBTEBU-DUQPFJRNSA-N 2 0 292.467 2.798 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346839724 382538005 /nfs/dbraw/zinc/53/80/05/382538005.db2.gz SQABMLBKJCLAEC-RDJZCZTQSA-N 2 0 288.435 2.702 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000358363143 382587589 /nfs/dbraw/zinc/58/75/89/382587589.db2.gz GCVXXMBDFFFIMB-HZSPNIEDSA-N 2 0 258.475 2.694 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000353635037 382590017 /nfs/dbraw/zinc/59/00/17/382590017.db2.gz XVYMVYBVTJFTTL-IHRRRGAJSA-N 2 0 279.453 2.538 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCC(C)C)[C@H](C)C1 ZINC000358387706 382597617 /nfs/dbraw/zinc/59/76/17/382597617.db2.gz UPMIXEZGDZPKAU-KGLIPLIRSA-N 2 0 258.475 2.696 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C[C@H]2CCCOC2)cn1 ZINC000353659509 382598051 /nfs/dbraw/zinc/59/80/51/382598051.db2.gz LEZRIBFHLNQXGV-MRXNPFEDSA-N 2 0 262.397 2.681 20 0 CFADRP Cc1sccc1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000295278829 382605913 /nfs/dbraw/zinc/60/59/13/382605913.db2.gz IGWHJDOLMSVPBQ-ZDUSSCGKSA-N 2 0 252.427 2.830 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000388812436 382609348 /nfs/dbraw/zinc/60/93/48/382609348.db2.gz APPYSRBEDGEDIK-BHTHQVBYSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000388941823 382610122 /nfs/dbraw/zinc/61/01/22/382610122.db2.gz DJJXOWLNUDKCON-NQNKBUKLSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)COCc1ccccc1 ZINC000389936854 382616678 /nfs/dbraw/zinc/61/66/78/382616678.db2.gz JZYGRJQEHFLTPA-HYVNUMGLSA-N 2 0 276.424 2.699 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389804245 382617087 /nfs/dbraw/zinc/61/70/87/382617087.db2.gz UMAOWHBBBJAUOY-LZLYRXPVSA-N 2 0 289.467 2.614 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390518453 382617787 /nfs/dbraw/zinc/61/77/87/382617787.db2.gz DXVYVAJKFKXXAG-FGTMMUONSA-N 2 0 287.451 2.511 20 0 CFADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(C)s1 ZINC000392218294 382621717 /nfs/dbraw/zinc/62/17/17/382621717.db2.gz XEHWWOKQHQYMGS-UHFFFAOYSA-N 2 0 250.411 2.716 20 0 CFADRP COc1cccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)n1 ZINC000190773164 382680303 /nfs/dbraw/zinc/68/03/03/382680303.db2.gz QQENTWKOVKTESO-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN2C)cnn1C(C)(C)C ZINC000191212363 382695854 /nfs/dbraw/zinc/69/58/54/382695854.db2.gz ZKSQKONEYSEBRJ-TZMCWYRMSA-N 2 0 278.444 2.691 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000192827827 382712711 /nfs/dbraw/zinc/71/27/11/382712711.db2.gz GDCNZPKZFWKYLI-CQSZACIVSA-N 2 0 286.423 2.723 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2occc21 ZINC000192942366 382713901 /nfs/dbraw/zinc/71/39/01/382713901.db2.gz JWDJHKCPGDVGQF-UKRRQHHQSA-N 2 0 280.412 2.603 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193140851 382716197 /nfs/dbraw/zinc/71/61/97/382716197.db2.gz KFKWNHJMFDGFGH-ZNMIVQPWSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC000193638968 382721797 /nfs/dbraw/zinc/72/17/97/382721797.db2.gz MCUYYTCXTOJMIH-BFQNTYOBSA-N 2 0 276.811 2.821 20 0 CFADRP Fc1c(Cl)cccc1CNCCC[NH+]1CCC1 ZINC000575002054 382723169 /nfs/dbraw/zinc/72/31/69/382723169.db2.gz WDGVYHUIUPSIDA-UHFFFAOYSA-N 2 0 256.752 2.665 20 0 CFADRP C[C@@H](O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336831150 382726332 /nfs/dbraw/zinc/72/63/32/382726332.db2.gz IGNIYZUJNNILPX-MRXNPFEDSA-N 2 0 282.472 2.735 20 0 CFADRP O[C@@H](C[NH2+][C@H]1CCCCC12CCCC2)C[NH+]1CCCC1 ZINC000336834421 382727855 /nfs/dbraw/zinc/72/78/55/382727855.db2.gz RGLOMDWGKUEXHA-HOTGVXAUSA-N 2 0 280.456 2.536 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000336834577 382727907 /nfs/dbraw/zinc/72/79/07/382727907.db2.gz IFJYRBNGWROAFJ-CHWSQXEVSA-N 2 0 280.412 2.872 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193902605 382728880 /nfs/dbraw/zinc/72/88/80/382728880.db2.gz BMKBVSXVWAVEBY-INIZCTEOSA-N 2 0 278.465 2.851 20 0 CFADRP C[C@H](CCCC[NH3+])Nc1cccc(OCC[NH+](C)C)c1 ZINC000336838653 382730413 /nfs/dbraw/zinc/73/04/13/382730413.db2.gz NMHPCKWISRMGHH-CQSZACIVSA-N 2 0 279.428 2.556 20 0 CFADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336843219 382732515 /nfs/dbraw/zinc/73/25/15/382732515.db2.gz VREJTZQAEJVKLT-QGPMSJSTSA-N 2 0 288.435 2.795 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000219307863 382793415 /nfs/dbraw/zinc/79/34/15/382793415.db2.gz FKFCONRSULQYJO-MRXNPFEDSA-N 2 0 296.842 2.959 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000219322901 382793421 /nfs/dbraw/zinc/79/34/21/382793421.db2.gz COBXGMHRJLEQSI-HNNXBMFYSA-N 2 0 290.451 2.794 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCCC2CCOCC2)C1 ZINC000337174930 382772048 /nfs/dbraw/zinc/77/20/48/382772048.db2.gz IHLBXLONFDCPQU-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H](CC[NH2+]CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000194214898 382737846 /nfs/dbraw/zinc/73/78/46/382737846.db2.gz NIQJCMAGUPGFSW-QGZVFWFLSA-N 2 0 290.451 2.882 20 0 CFADRP C=Cn1cc(C[NH2+][C@@H](C)CCC[NH+](CC)CC)cn1 ZINC000194340312 382740992 /nfs/dbraw/zinc/74/09/92/382740992.db2.gz ANZSLQXVTVAHRU-AWEZNQCLSA-N 2 0 264.417 2.584 20 0 CFADRP CSc1ccccc1[C@@H](C)[NH2+]CCn1ccnc1 ZINC000194834310 382755509 /nfs/dbraw/zinc/75/55/09/382755509.db2.gz ZRMXAIWHSSCZIC-GFCCVEGCSA-N 2 0 261.394 2.956 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000195049529 382760247 /nfs/dbraw/zinc/76/02/47/382760247.db2.gz FDESOSREOVPHFL-JKIFEVAISA-N 2 0 285.391 2.948 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000195049502 382760277 /nfs/dbraw/zinc/76/02/77/382760277.db2.gz FDESOSREOVPHFL-KEYYUXOJSA-N 2 0 285.391 2.948 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC000228477411 382846830 /nfs/dbraw/zinc/84/68/30/382846830.db2.gz QSRCQPFMOAIODG-NWANDNLSSA-N 2 0 264.800 2.899 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]21 ZINC000228475681 382847106 /nfs/dbraw/zinc/84/71/06/382847106.db2.gz VRVWZVYLAUGJGU-YWPYICTPSA-N 2 0 266.335 2.524 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@H]21 ZINC000228473398 382847212 /nfs/dbraw/zinc/84/72/12/382847212.db2.gz ORLSNLCZEKWITF-NWANDNLSSA-N 2 0 296.361 2.847 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533975 382847666 /nfs/dbraw/zinc/84/76/66/382847666.db2.gz JLLMPROUOXVXIO-YNEHKIRRSA-N 2 0 250.411 2.616 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000228535609 382847672 /nfs/dbraw/zinc/84/76/72/382847672.db2.gz MKAPIYSAMRYOOD-IACUBPJLSA-N 2 0 250.411 2.616 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000575794187 382799380 /nfs/dbraw/zinc/79/93/80/382799380.db2.gz QSPFXBKODXSIGY-KCXAZCMYSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222957844 382803828 /nfs/dbraw/zinc/80/38/28/382803828.db2.gz VOVYUJCWDGHVRY-BPLDGKMQSA-N 2 0 262.397 2.573 20 0 CFADRP CC(C)OC[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000337346234 382807006 /nfs/dbraw/zinc/80/70/06/382807006.db2.gz WCFWGZOYWDEBPF-UONOGXRCSA-N 2 0 258.450 2.756 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337345505 382807105 /nfs/dbraw/zinc/80/71/05/382807105.db2.gz VFSCKGVDUPIAFJ-IAGOWNOFSA-N 2 0 288.435 2.974 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@@H]1CCSC1)Cc1ccccc1 ZINC000224282598 382809958 /nfs/dbraw/zinc/80/99/58/382809958.db2.gz LOBPKUVZJIUIJI-INIZCTEOSA-N 2 0 278.465 2.851 20 0 CFADRP CC1(C)CC([NH2+]C[C@@H]2CCSC2)CC(C)(C)[NH2+]1 ZINC000224301373 382810347 /nfs/dbraw/zinc/81/03/47/382810347.db2.gz YXXCOGAUCDEWBC-NSHDSACASA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C[NH+]1CCCC1 ZINC000337377256 382811965 /nfs/dbraw/zinc/81/19/65/382811965.db2.gz HEPDIUILNOALHZ-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000337381367 382812886 /nfs/dbraw/zinc/81/28/86/382812886.db2.gz DOAMSEBMHVWYPO-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)oc1C ZINC000337403943 382815929 /nfs/dbraw/zinc/81/59/29/382815929.db2.gz KZKLDCKVCGCOMD-HUUCEWRRSA-N 2 0 293.455 2.573 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000337406134 382816309 /nfs/dbraw/zinc/81/63/09/382816309.db2.gz SPMHAFYIZWLMHU-YESZJQIVSA-N 2 0 282.472 2.903 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000337472074 382826355 /nfs/dbraw/zinc/82/63/55/382826355.db2.gz NYEVSPCVKLXAQE-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP Fc1ccccc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435024 382828424 /nfs/dbraw/zinc/82/84/24/382828424.db2.gz PZTBICXOLJAQIR-CYBMUJFWSA-N 2 0 262.372 2.790 20 0 CFADRP CCN(Cc1c(F)cccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226437466 382828476 /nfs/dbraw/zinc/82/84/76/382828476.db2.gz SMEXVFVAMXFFOG-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP Cn1cncc1CCC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000576594947 382828514 /nfs/dbraw/zinc/82/85/14/382828514.db2.gz CZAXHQOZCOCXKF-UHFFFAOYSA-N 2 0 297.402 2.606 20 0 CFADRP CC[N@H+](CCc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000226436313 382828831 /nfs/dbraw/zinc/82/88/31/382828831.db2.gz LYJGAKSDOZRLPA-ZDUSSCGKSA-N 2 0 252.427 2.612 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCC(C)(C)C2)CC1 ZINC000337486823 382829486 /nfs/dbraw/zinc/82/94/86/382829486.db2.gz ZJTQPMGDTPRPQV-KRWDZBQOSA-N 2 0 295.515 2.913 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCN1C ZINC000229549858 382851832 /nfs/dbraw/zinc/85/18/32/382851832.db2.gz CQAMMYHNWCAPAY-QWRGUYRKSA-N 2 0 252.324 2.791 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000576702877 382832663 /nfs/dbraw/zinc/83/26/63/382832663.db2.gz AYRZUEDTLGAKOC-MSOLQXFVSA-N 2 0 289.467 2.614 20 0 CFADRP COc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227330003 382835761 /nfs/dbraw/zinc/83/57/61/382835761.db2.gz NOVKELAPAUIOKU-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC[C@@H](O)c3ccccc3)CC[C@H]21 ZINC000227348776 382836169 /nfs/dbraw/zinc/83/61/69/382836169.db2.gz IRJSMVSQNOCZON-RCCFBDPRSA-N 2 0 288.435 2.526 20 0 CFADRP c1ccc2c(c1)OC[C@H]2C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576785130 382836241 /nfs/dbraw/zinc/83/62/41/382836241.db2.gz LYAYSECIYDZLBJ-OAHLLOKOSA-N 2 0 286.419 2.627 20 0 CFADRP CC(C)CC[C@@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000577005652 382844395 /nfs/dbraw/zinc/84/43/95/382844395.db2.gz LRMAJDBOGJGTSU-QGZVFWFLSA-N 2 0 284.488 2.836 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3nc4ccccc4s3)C[C@@H]21 ZINC000230049882 382855479 /nfs/dbraw/zinc/85/54/79/382855479.db2.gz LSMYTUIVAXFFNI-FRRDWIJNSA-N 2 0 287.432 2.856 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H]1C ZINC000494179229 382909352 /nfs/dbraw/zinc/90/93/52/382909352.db2.gz KWGAIUAUOOALND-VGWMRTNUSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337765322 382863125 /nfs/dbraw/zinc/86/31/25/382863125.db2.gz SBLIOFMSHRXNQP-DOTOQJQBSA-N 2 0 260.425 2.926 20 0 CFADRP C[C@@H](c1c(F)cccc1F)N1CCN(c2ncc[nH]2)CC1 ZINC000577689289 382867101 /nfs/dbraw/zinc/86/71/01/382867101.db2.gz DELYUYNFFGLBKE-NSHDSACASA-N 2 0 292.333 2.571 20 0 CFADRP CN(CCC[NH+](C)C)Cc1ccc(OCC2CC2)cc1 ZINC000577681285 382867342 /nfs/dbraw/zinc/86/73/42/382867342.db2.gz OQKGYVXTOJREMC-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP C[C@@H]([NH3+])CC[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414824667 532960658 /nfs/dbraw/zinc/96/06/58/532960658.db2.gz RFJAZJXHMKPYPR-CYBMUJFWSA-N 2 0 255.365 2.576 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000235903047 382889248 /nfs/dbraw/zinc/88/92/48/382889248.db2.gz OARKWVDIZMKQIV-CYBMUJFWSA-N 2 0 250.361 2.695 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337988032 382890558 /nfs/dbraw/zinc/89/05/58/382890558.db2.gz IOEKNQPOGWPNIO-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000578083086 382890750 /nfs/dbraw/zinc/89/07/50/382890750.db2.gz KLOFMARLQMAGDF-UONOGXRCSA-N 2 0 261.413 2.739 20 0 CFADRP Cc1cc(C)c(CN(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000578175271 382896441 /nfs/dbraw/zinc/89/64/41/382896441.db2.gz AFKDZQHWMJZBCC-UHFFFAOYSA-N 2 0 291.483 2.537 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000338010096 382900123 /nfs/dbraw/zinc/90/01/23/382900123.db2.gz DNECWOCZQGKEIR-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)OC1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000578231342 382902916 /nfs/dbraw/zinc/90/29/16/382902916.db2.gz JAUQLYFANVAFOC-HNNXBMFYSA-N 2 0 294.414 2.757 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000578614164 382936570 /nfs/dbraw/zinc/93/65/70/382936570.db2.gz LTLIUYSKSAJQGU-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CCOc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1OC ZINC000578631819 382939119 /nfs/dbraw/zinc/93/91/19/382939119.db2.gz CCDNFBPGGKHFIR-UHFFFAOYSA-N 2 0 292.423 2.655 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)[C@@H]1C ZINC000494914906 382939774 /nfs/dbraw/zinc/93/97/74/382939774.db2.gz MBDMPSJWJMDIFA-IIAWOOMASA-N 2 0 276.424 2.761 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000578668756 382944452 /nfs/dbraw/zinc/94/44/52/382944452.db2.gz OHNNNGUBPNARPC-LSDHHAIUSA-N 2 0 264.438 2.909 20 0 CFADRP c1nc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000535067996 382949122 /nfs/dbraw/zinc/94/91/22/382949122.db2.gz WVMIZNREDCOXIY-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP COC1([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)CCCC1 ZINC000421856444 382949234 /nfs/dbraw/zinc/94/92/34/382949234.db2.gz ORTYWYSJSVOBTB-FHERZECASA-N 2 0 280.456 2.941 20 0 CFADRP CCC[C@@](C)([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000442751116 382951477 /nfs/dbraw/zinc/95/14/77/382951477.db2.gz BOXVZHOYNHVERS-MRXNPFEDSA-N 2 0 288.395 2.772 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000442751150 382951905 /nfs/dbraw/zinc/95/19/05/382951905.db2.gz BRWZSPVCSXENFS-QWHCGFSZSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000442763498 382953241 /nfs/dbraw/zinc/95/32/41/382953241.db2.gz GSXVSMWFJOUOGC-GXTWGEPZSA-N 2 0 266.816 2.942 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000495049234 382955106 /nfs/dbraw/zinc/95/51/06/382955106.db2.gz RDAJDHOAJHXDNF-BQJWPVKWSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442782322 382955167 /nfs/dbraw/zinc/95/51/67/382955167.db2.gz QSSJTABGJNTGRV-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422880072 532964638 /nfs/dbraw/zinc/96/46/38/532964638.db2.gz LOMOXBRDXSHALB-MNOVXSKESA-N 2 0 290.329 2.843 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422887238 532964726 /nfs/dbraw/zinc/96/47/26/532964726.db2.gz AQCQMNPXILYFFP-CABCVRRESA-N 2 0 290.455 2.533 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831066 532964761 /nfs/dbraw/zinc/96/47/61/532964761.db2.gz SJEFTULOQKZLJK-KGLIPLIRSA-N 3 0 295.496 2.676 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000421880931 382959112 /nfs/dbraw/zinc/95/91/12/382959112.db2.gz QVGKBBQQCDHIST-GADNRMJZSA-N 2 0 292.467 2.797 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCO[C@H]2CCCCO2)CC1 ZINC000338238426 382961133 /nfs/dbraw/zinc/96/11/33/382961133.db2.gz UDGDCOPZDFQFBH-KRWDZBQOSA-N 2 0 298.471 2.724 20 0 CFADRP CCCCOCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441406514 382913153 /nfs/dbraw/zinc/91/31/53/382913153.db2.gz DZQPAYIBIKNCEM-RDJZCZTQSA-N 2 0 280.456 2.752 20 0 CFADRP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000421819820 382933338 /nfs/dbraw/zinc/93/33/38/382933338.db2.gz JDSIUNJUXJBQIF-XHSDSOJGSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943541 532963260 /nfs/dbraw/zinc/96/32/60/532963260.db2.gz KRHIJYPZXJEEGZ-NEPJUHHUSA-N 2 0 254.805 2.988 20 0 CFADRP CO[C@@H](C)C[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000444591788 382975159 /nfs/dbraw/zinc/97/51/59/382975159.db2.gz HSRLHCPAIZXEKH-HNNXBMFYSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1CCc2ccccc21 ZINC000422720949 382975635 /nfs/dbraw/zinc/97/56/35/382975635.db2.gz UHTAWXYWVDZOSP-DJIMGWMZSA-N 2 0 287.451 2.687 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422709817 382975714 /nfs/dbraw/zinc/97/57/14/382975714.db2.gz ZUNRMOPBCQLDQQ-GJZGRUSLSA-N 2 0 289.467 2.539 20 0 CFADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nc1 ZINC000338283561 382975776 /nfs/dbraw/zinc/97/57/76/382975776.db2.gz RCOMXWICYKVXIP-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422730047 382976927 /nfs/dbraw/zinc/97/69/27/382976927.db2.gz JEGMHYBBDJTCTA-YQQAZPJKSA-N 2 0 275.440 2.539 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422793130 382979774 /nfs/dbraw/zinc/97/97/74/382979774.db2.gz RRSTZGIDOHTFSC-CAOSSQGBSA-N 2 0 260.381 2.678 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000548773267 382981442 /nfs/dbraw/zinc/98/14/42/382981442.db2.gz ILGHHMQUXDNUQC-RDJZCZTQSA-N 2 0 282.472 2.854 20 0 CFADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422815333 382981868 /nfs/dbraw/zinc/98/18/68/382981868.db2.gz XKJMJKDFQHBJJG-KZNAEPCWSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422818653 382982250 /nfs/dbraw/zinc/98/22/50/382982250.db2.gz GTNZUICDOMLHCV-PBHICJAKSA-N 2 0 279.472 2.514 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422824316 382982428 /nfs/dbraw/zinc/98/24/28/382982428.db2.gz NLNLCZUEBOAIMB-RHSMWYFYSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422781153 532967263 /nfs/dbraw/zinc/96/72/63/532967263.db2.gz DTZWCJYGVATGCC-CVEARBPZSA-N 3 0 289.467 2.888 20 0 CFADRP COC[C@@H](C)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000548792213 382982400 /nfs/dbraw/zinc/98/24/00/382982400.db2.gz IANIZNKDDPGQLK-LSDHHAIUSA-N 2 0 291.439 2.681 20 0 CFADRP COC[C@@H](C)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000548792211 382982960 /nfs/dbraw/zinc/98/29/60/382982960.db2.gz IANIZNKDDPGQLK-GJZGRUSLSA-N 2 0 291.439 2.681 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC[C@@H]1C ZINC000422856535 382984247 /nfs/dbraw/zinc/98/42/47/382984247.db2.gz GGBVMAIXGWJXTJ-IXDOHACOSA-N 2 0 281.488 2.761 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000422939051 382988737 /nfs/dbraw/zinc/98/87/37/382988737.db2.gz FLOXRXQVXXUBDU-LSDHHAIUSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422922981 382988770 /nfs/dbraw/zinc/98/87/70/382988770.db2.gz UVVULAQWSDGHJV-OQMKEHIESA-N 2 0 262.397 2.657 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000338316579 382989191 /nfs/dbraw/zinc/98/91/91/382989191.db2.gz QETWLSWXRCFLJH-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422965173 382989241 /nfs/dbraw/zinc/98/92/41/382989241.db2.gz KKPODMYBCPTPJO-DOTOQJQBSA-N 2 0 292.467 2.896 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCCC[NH3+])C[C@H]1OC ZINC000422945098 382989479 /nfs/dbraw/zinc/98/94/79/382989479.db2.gz UAJZVNNFMOFAFX-MGPQQGTHSA-N 2 0 256.434 2.687 20 0 CFADRP CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000422947140 382989905 /nfs/dbraw/zinc/98/99/05/382989905.db2.gz PUQSMJRCEMCLHP-SWLSCSKDSA-N 2 0 262.397 2.790 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000423024784 383017465 /nfs/dbraw/zinc/01/74/65/383017465.db2.gz MOVAIMXQRVZFRG-ZIAGYGMSSA-N 2 0 294.439 2.599 20 0 CFADRP CC1=CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000579213633 382992298 /nfs/dbraw/zinc/99/22/98/382992298.db2.gz NPESHDKYGGYSFT-SZMVWBNQSA-N 2 0 292.467 2.843 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422974715 382993174 /nfs/dbraw/zinc/99/31/74/382993174.db2.gz RTSHYVYMSTWRQW-LSDHHAIUSA-N 2 0 299.418 2.876 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1Cc2ccccc2C1 ZINC000422984969 382996144 /nfs/dbraw/zinc/99/61/44/382996144.db2.gz ZTPRYBPUHSQNJN-MGPUTAFESA-N 2 0 294.442 2.950 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422984947 382996173 /nfs/dbraw/zinc/99/61/73/382996173.db2.gz BRCQZWYOBYZEBI-CYBMUJFWSA-N 2 0 264.388 2.865 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])Nc1ccccc1 ZINC000422983180 382996504 /nfs/dbraw/zinc/99/65/04/382996504.db2.gz YUDVLYHEZCKDCI-GOEBONIOSA-N 2 0 263.429 2.840 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549040561 382996610 /nfs/dbraw/zinc/99/66/10/382996610.db2.gz BJSGWTZMALDMFU-CZIOMAOESA-N 2 0 292.467 2.533 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1Cc2ccccc2C1 ZINC000422984970 382996921 /nfs/dbraw/zinc/99/69/21/382996921.db2.gz ZTPRYBPUHSQNJN-QRWLVFNGSA-N 2 0 294.442 2.950 20 0 CFADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422987198 382997383 /nfs/dbraw/zinc/99/73/83/382997383.db2.gz FRIQIYXTIJGZFL-ZNMIVQPWSA-N 2 0 296.480 2.990 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422990920 383000303 /nfs/dbraw/zinc/00/03/03/383000303.db2.gz AJRFVCUUSRBWDX-ZACQAIPSSA-N 2 0 281.488 2.604 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@H]1CCC[C@H]1C ZINC000338355411 383001160 /nfs/dbraw/zinc/00/11/60/383001160.db2.gz JKEDWECXQLCFLJ-CVEARBPZSA-N 2 0 270.461 2.855 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCO1 ZINC000422996769 383002464 /nfs/dbraw/zinc/00/24/64/383002464.db2.gz UJBJMDBZLPBKKI-DDBAPUKQSA-N 2 0 290.451 2.738 20 0 CFADRP COc1cc(C)cc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423001081 383004019 /nfs/dbraw/zinc/00/40/19/383004019.db2.gz HONHDLCDLJNVSP-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000423001920 383004629 /nfs/dbraw/zinc/00/46/29/383004629.db2.gz FHYHGPUYKJEFHZ-HZPDHXFCSA-N 2 0 269.477 2.745 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423002521 383005685 /nfs/dbraw/zinc/00/56/85/383005685.db2.gz ZCTHEWUMWLYMRR-IKGGRYGDSA-N 2 0 281.488 2.747 20 0 CFADRP C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCCC1 ZINC000245550260 383005815 /nfs/dbraw/zinc/00/58/15/383005815.db2.gz HIIGUVFQYBFYCT-GVDBMIGSSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)c1ccccc1 ZINC000423004297 383007162 /nfs/dbraw/zinc/00/71/62/383007162.db2.gz JPXIAXUQOYTGJL-KBAYOESNSA-N 2 0 290.451 2.663 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423004011 383007453 /nfs/dbraw/zinc/00/74/53/383007453.db2.gz OBAQKMNEOCQHJP-UAGQMJEPSA-N 2 0 292.467 2.578 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423006302 383008445 /nfs/dbraw/zinc/00/84/45/383008445.db2.gz UYTZRSNBAQXBHZ-XJKSGUPXSA-N 2 0 296.842 2.834 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000423008417 383010059 /nfs/dbraw/zinc/01/00/59/383010059.db2.gz ADUQAIOKFWWNAI-FRRDWIJNSA-N 2 0 288.395 2.556 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013350 383011143 /nfs/dbraw/zinc/01/11/43/383011143.db2.gz MRLJZZOGRPXEIB-GHMZBOCLSA-N 2 0 268.351 2.712 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423013455 383011472 /nfs/dbraw/zinc/01/14/72/383011472.db2.gz MUPOIOXFFWIFNW-ZVZYQTTQSA-N 2 0 290.451 2.981 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423016543 383012838 /nfs/dbraw/zinc/01/28/38/383012838.db2.gz MUGWYPGNJUSPGR-SJORKVTESA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423017425 383013796 /nfs/dbraw/zinc/01/37/96/383013796.db2.gz WLUWJIIHKRUNCR-KKUMJFAQSA-N 2 0 286.423 2.708 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423017035 383014333 /nfs/dbraw/zinc/01/43/33/383014333.db2.gz NUOWPCVJVABGHO-CHWSQXEVSA-N 2 0 252.427 2.706 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245614963 383014606 /nfs/dbraw/zinc/01/46/06/383014606.db2.gz LJJKHRIATZPHOC-GVDBMIGSSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2nccs2)C1 ZINC000245610997 383014666 /nfs/dbraw/zinc/01/46/66/383014666.db2.gz LGJNYYXOSIQWJU-KGLIPLIRSA-N 2 0 279.453 2.807 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nccs2)C1 ZINC000245611004 383014829 /nfs/dbraw/zinc/01/48/29/383014829.db2.gz LGJNYYXOSIQWJU-ZIAGYGMSSA-N 2 0 279.453 2.807 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423019210 383015468 /nfs/dbraw/zinc/01/54/68/383015468.db2.gz URFQMQASKSBHPX-WMZOPIPTSA-N 2 0 290.451 2.624 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@H]2CCCCO2)[C@@H](C)C1 ZINC000338273774 382971417 /nfs/dbraw/zinc/97/14/17/382971417.db2.gz HJILXYMJDAQMEQ-ULQDDVLXSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCO[C@@H]1C1CC1 ZINC000423051744 383031583 /nfs/dbraw/zinc/03/15/83/383031583.db2.gz OZACQOIBDYKRNJ-CWQOZTLDSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423052087 383031594 /nfs/dbraw/zinc/03/15/94/383031594.db2.gz PBWRLXBTVAHPOI-BPUTZDHNSA-N 2 0 280.456 2.855 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423049878 383031714 /nfs/dbraw/zinc/03/17/14/383031714.db2.gz YHHDNVGTXBDEBP-KLHDSHLOSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccccc1)[NH+](C)C ZINC000423051266 383032026 /nfs/dbraw/zinc/03/20/26/383032026.db2.gz MWNYGUJZWRGYAP-SCBLWJDOSA-N 2 0 287.451 2.550 20 0 CFADRP CCc1cccc(Cl)c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579592152 383032104 /nfs/dbraw/zinc/03/21/04/383032104.db2.gz FWRJIESSROXVPJ-UONOGXRCSA-N 2 0 278.827 2.944 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000245751964 383032551 /nfs/dbraw/zinc/03/25/51/383032551.db2.gz HEZZDKNFXBHHET-NVXWUHKLSA-N 2 0 274.408 2.611 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])c2ccc(F)cc21 ZINC000423055734 383033864 /nfs/dbraw/zinc/03/38/64/383033864.db2.gz WKTLFNWCYGBGMX-LRDDRELGSA-N 2 0 289.398 2.577 20 0 CFADRP C[C@]1(CN[C@H]2CCC[C@@H]2[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000423062383 383036568 /nfs/dbraw/zinc/03/65/68/383036568.db2.gz MVKLFDDBZMUTHI-OKZBNKHCSA-N 2 0 287.451 2.511 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)CCC[NH3+])N(C)C ZINC000423063866 383038102 /nfs/dbraw/zinc/03/81/02/383038102.db2.gz XNOUULMFEONSGM-ZOBUZTSGSA-N 2 0 277.456 2.703 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245835160 383038664 /nfs/dbraw/zinc/03/86/64/383038664.db2.gz CJISIDYAOPFODI-QKPAOTATSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])N(C)C ZINC000423063864 383038751 /nfs/dbraw/zinc/03/87/51/383038751.db2.gz XNOUULMFEONSGM-UXLLHSPISA-N 2 0 277.456 2.703 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000423390801 383078498 /nfs/dbraw/zinc/07/84/98/383078498.db2.gz KNOSQIVFGWYGAR-NHCYSSNCSA-N 2 0 267.442 2.663 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089947 383040936 /nfs/dbraw/zinc/04/09/36/383040936.db2.gz WGLYAKGWLDAREN-FKSAFCJBSA-N 2 0 292.398 2.545 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423084618 383041047 /nfs/dbraw/zinc/04/10/47/383041047.db2.gz IDBBATBIJITWSI-JKSUJKDBSA-N 2 0 294.483 2.830 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423117425 383042697 /nfs/dbraw/zinc/04/26/97/383042697.db2.gz VKKGYVWGXBZNEE-YCPHGPKFSA-N 2 0 290.455 2.698 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423111800 383042960 /nfs/dbraw/zinc/04/29/60/383042960.db2.gz JIFOUSNUXZCQLG-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423128024 383043595 /nfs/dbraw/zinc/04/35/95/383043595.db2.gz UQTYNZUZQIWLPG-RRQGHBQHSA-N 2 0 275.440 2.841 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423130639 383044213 /nfs/dbraw/zinc/04/42/13/383044213.db2.gz MZWAIJYXDSRSIJ-BMFZPTHFSA-N 2 0 291.414 2.654 20 0 CFADRP C[C@@H]1CN(CCCn2ccnc2)C[C@@H](c2ccsc2)O1 ZINC000245885198 383044424 /nfs/dbraw/zinc/04/44/24/383044424.db2.gz OPPMQBRDQJICMR-HIFRSBDPSA-N 2 0 291.420 2.797 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423147990 383044871 /nfs/dbraw/zinc/04/48/71/383044871.db2.gz UFXUOABMMRAMPJ-NFAWXSAZSA-N 2 0 276.449 2.854 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142862 383045539 /nfs/dbraw/zinc/04/55/39/383045539.db2.gz BLLYXSBMCZUAPG-ZQNQSHIBSA-N 2 0 254.393 2.777 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423148749 383045603 /nfs/dbraw/zinc/04/56/03/383045603.db2.gz WLLGWMVDWTVPJS-HYEYJGRESA-N 2 0 292.398 2.545 20 0 CFADRP C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC[NH+]1CCCC1 ZINC000423137258 383045684 /nfs/dbraw/zinc/04/56/84/383045684.db2.gz QKVPUFDDFRVRDV-KZNAEPCWSA-N 3 0 293.499 2.763 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1C[NH2+]C1 ZINC000423158581 383046343 /nfs/dbraw/zinc/04/63/43/383046343.db2.gz OFWJUNUKTKUAJB-NHCYSSNCSA-N 2 0 264.335 2.695 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000338774798 383046789 /nfs/dbraw/zinc/04/67/89/383046789.db2.gz LOOKRJGXUHGNDZ-MRXNPFEDSA-N 2 0 282.472 2.902 20 0 CFADRP COCC1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423180867 383047866 /nfs/dbraw/zinc/04/78/66/383047866.db2.gz KPQCXTRITSSWNU-YCUKKYJWSA-N 2 0 274.408 2.926 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)CC(F)(F)F ZINC000423173804 383048014 /nfs/dbraw/zinc/04/80/14/383048014.db2.gz ACUHLNQOGIXLSN-WOPDTQHZSA-N 2 0 266.351 2.943 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423196107 383048727 /nfs/dbraw/zinc/04/87/27/383048727.db2.gz YWKIMEUSJVJWNM-YSVLISHTSA-N 2 0 291.414 2.512 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000423192473 383049290 /nfs/dbraw/zinc/04/92/90/383049290.db2.gz VNWRQBSXPJFDRF-CQSZACIVSA-N 2 0 250.773 2.669 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000245933329 383050393 /nfs/dbraw/zinc/05/03/93/383050393.db2.gz IONNNUPXGVGGDB-HUUCEWRRSA-N 2 0 298.471 2.961 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423207696 383050615 /nfs/dbraw/zinc/05/06/15/383050615.db2.gz YETLLDSEZZAKHP-AWEZNQCLSA-N 2 0 297.240 2.506 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000423231584 383051666 /nfs/dbraw/zinc/05/16/66/383051666.db2.gz GXYAQOVHMYOCHI-DLBZAZTESA-N 2 0 260.425 2.904 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256848 383052878 /nfs/dbraw/zinc/05/28/78/383052878.db2.gz GHWHNXQOJHDIIQ-RHSMWYFYSA-N 2 0 273.424 2.913 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000579795241 383052854 /nfs/dbraw/zinc/05/28/54/383052854.db2.gz KLRFAYDQAPQXAO-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423257478 383053725 /nfs/dbraw/zinc/05/37/25/383053725.db2.gz JODOXQSKJLUMTO-QWHCGFSZSA-N 2 0 279.453 2.808 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338794651 383053796 /nfs/dbraw/zinc/05/37/96/383053796.db2.gz QPQZRXXAYAEKFJ-UHFFFAOYSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000245968589 383054541 /nfs/dbraw/zinc/05/45/41/383054541.db2.gz NTLRTKUWPXNTHT-HZSPNIEDSA-N 2 0 284.444 2.569 20 0 CFADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423278166 383055250 /nfs/dbraw/zinc/05/52/50/383055250.db2.gz QQZWGBIHDDHQRX-CZUORRHYSA-N 2 0 250.430 2.935 20 0 CFADRP CSCC1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000423277876 383056020 /nfs/dbraw/zinc/05/60/20/383056020.db2.gz QIENNMCLSMGBEZ-NFOMZHRRSA-N 2 0 270.486 2.888 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC([NH3+])(CC)CC)C12CCCC2 ZINC000423287347 383056872 /nfs/dbraw/zinc/05/68/72/383056872.db2.gz LRIVACPNNDMZHH-UONOGXRCSA-N 2 0 268.445 2.831 20 0 CFADRP CC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[NH2+]CC1 ZINC000423315770 383058308 /nfs/dbraw/zinc/05/83/08/383058308.db2.gz AIEAERIYCIWOIO-INIZCTEOSA-N 2 0 273.424 2.902 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423351504 383059939 /nfs/dbraw/zinc/05/99/39/383059939.db2.gz IKTIOKRLCUVXLQ-GFCCVEGCSA-N 2 0 280.362 2.795 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353967 383061387 /nfs/dbraw/zinc/06/13/87/383061387.db2.gz CIMYCHREHPXSJC-IJEWVQPXSA-N 2 0 276.424 2.919 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000423358708 383062760 /nfs/dbraw/zinc/06/27/60/383062760.db2.gz JTZRBVOYXVYCCC-ZBFHGGJFSA-N 2 0 262.397 2.878 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000552275102 383079865 /nfs/dbraw/zinc/07/98/65/383079865.db2.gz LAXRGPVBDKHEIH-CEXWTWQISA-N 2 0 284.447 2.864 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cscn1 ZINC000552002221 383063721 /nfs/dbraw/zinc/06/37/21/383063721.db2.gz JVLWGMCLRKATDS-MGPQQGTHSA-N 2 0 297.468 2.683 20 0 CFADRP c1cncc([C@H]2CCC[C@H]([NH2+]CC[C@H]3CCC[NH2+]3)C2)c1 ZINC000423359530 383063826 /nfs/dbraw/zinc/06/38/26/383063826.db2.gz KURYFVQQCZGFGV-UAGQMJEPSA-N 2 0 273.424 2.840 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423363557 383065077 /nfs/dbraw/zinc/06/50/77/383065077.db2.gz AOUQEVWOWOWKJM-IJEWVQPXSA-N 2 0 292.423 2.503 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cnc2ccsc2c1 ZINC000423363332 383065119 /nfs/dbraw/zinc/06/51/19/383065119.db2.gz BUVRJOMTDKTSAX-MDZLAQPJSA-N 2 0 275.421 2.945 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)[C@H]1OC ZINC000423365395 383066555 /nfs/dbraw/zinc/06/65/55/383066555.db2.gz BDXFDIICIUOZKF-XLWJZTARSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cncc(F)c1 ZINC000423367519 383066576 /nfs/dbraw/zinc/06/65/76/383066576.db2.gz CQFQWAWEBQBHNC-LLVKDONJSA-N 2 0 271.339 2.675 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000423369898 383067597 /nfs/dbraw/zinc/06/75/97/383067597.db2.gz CMAJOBUKQWBPTD-RHSMWYFYSA-N 2 0 260.425 2.904 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423371275 383069174 /nfs/dbraw/zinc/06/91/74/383069174.db2.gz QCYUXZMVPJJGKH-FZKCQIBNSA-N 2 0 296.455 2.748 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000423371867 383069196 /nfs/dbraw/zinc/06/91/96/383069196.db2.gz FXTWIPMHLHYRNY-RHSMWYFYSA-N 2 0 260.425 2.904 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423374154 383069822 /nfs/dbraw/zinc/06/98/22/383069822.db2.gz HWFXBUZTNPCMMB-KBAYOESNSA-N 2 0 290.451 2.958 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423372863 383070248 /nfs/dbraw/zinc/07/02/48/383070248.db2.gz BLEOJTPQLMTRCS-ZJIFWQFVSA-N 2 0 292.467 2.702 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423377189 383071323 /nfs/dbraw/zinc/07/13/23/383071323.db2.gz KAPNBTSYNOPKIU-AIGAYMNCSA-N 2 0 288.435 2.917 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423379987 383073822 /nfs/dbraw/zinc/07/38/22/383073822.db2.gz MLRRKUDUGSIGAM-VGWMRTNUSA-N 2 0 296.455 2.619 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)COC2 ZINC000423379728 383073960 /nfs/dbraw/zinc/07/39/60/383073960.db2.gz NBVNWRVHGWCRBV-HSMVNMDESA-N 2 0 260.381 2.508 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)C(C)C ZINC000246541487 383080526 /nfs/dbraw/zinc/08/05/26/383080526.db2.gz VZDWRZBBBSKLDP-HZPDHXFCSA-N 2 0 270.461 2.615 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000423382613 383074517 /nfs/dbraw/zinc/07/45/17/383074517.db2.gz DLLOZCDGNUBGPG-TUKIKUTGSA-N 2 0 250.361 2.864 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423384007 383076632 /nfs/dbraw/zinc/07/66/32/383076632.db2.gz FWGBDLXTTHXUEJ-BSWAZPDLSA-N 2 0 288.435 2.820 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000246444503 383077091 /nfs/dbraw/zinc/07/70/91/383077091.db2.gz OTRGTRGCLNJLRT-KURKYZTESA-N 2 0 295.515 2.674 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000423027876 383018865 /nfs/dbraw/zinc/01/88/65/383018865.db2.gz FGWSOOANRUYCPQ-KCQAQPDRSA-N 2 0 291.439 2.705 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423027772 383018907 /nfs/dbraw/zinc/01/89/07/383018907.db2.gz PSIKDHVJUKTGFB-CJNGLKHVSA-N 2 0 261.413 2.609 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(OC)c1 ZINC000423387321 383077459 /nfs/dbraw/zinc/07/74/59/383077459.db2.gz RYHKTCJKZWTFOU-XPKDYRNWSA-N 2 0 262.397 2.876 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423029706 383020070 /nfs/dbraw/zinc/02/00/70/383020070.db2.gz VCPKMPFYHXAPIM-KGLIPLIRSA-N 2 0 282.790 2.980 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1Cc2ccccc2C1 ZINC000423034808 383022445 /nfs/dbraw/zinc/02/24/45/383022445.db2.gz IKTSONDRTVRHQL-LIRRHRJNSA-N 2 0 280.415 2.702 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423032806 383022672 /nfs/dbraw/zinc/02/26/72/383022672.db2.gz NDXARBDBWQGLAI-CJNGLKHVSA-N 2 0 279.403 2.605 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423037104 383023694 /nfs/dbraw/zinc/02/36/94/383023694.db2.gz MJTPWYCOJJJRAL-RAIGVLPGSA-N 2 0 267.442 2.805 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC2)cc1 ZINC000423037241 383023722 /nfs/dbraw/zinc/02/37/22/383023722.db2.gz VYBPRLLYTMGPLE-ZIAGYGMSSA-N 2 0 276.424 2.832 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423040293 383024686 /nfs/dbraw/zinc/02/46/86/383024686.db2.gz SZBOBSXOFOGNTL-ZIAGYGMSSA-N 2 0 276.424 2.832 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423040241 383024835 /nfs/dbraw/zinc/02/48/35/383024835.db2.gz SRRZVWIJGQUHOU-ZBFHGGJFSA-N 2 0 278.440 2.597 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000423039306 383025352 /nfs/dbraw/zinc/02/53/52/383025352.db2.gz QGIQCVYFFOULNO-GDBMZVCRSA-N 2 0 288.435 2.834 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1c(C)cccc1C ZINC000423042281 383025801 /nfs/dbraw/zinc/02/58/01/383025801.db2.gz YXQZFHJKTOYRQZ-CABCVRRESA-N 2 0 264.413 2.708 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000423041761 383026699 /nfs/dbraw/zinc/02/66/99/383026699.db2.gz JRMHCECBVBCTSV-YVEFUNNKSA-N 2 0 274.383 2.959 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCO[C@H](CC(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423043993 383027446 /nfs/dbraw/zinc/02/74/46/383027446.db2.gz QKTYWPFHPQLYQZ-FZKCQIBNSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccs1 ZINC000423499038 383122741 /nfs/dbraw/zinc/12/27/41/383122741.db2.gz ADQICUQOMQEFHM-NFOMZHRRSA-N 2 0 293.480 2.615 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423541083 383126309 /nfs/dbraw/zinc/12/63/09/383126309.db2.gz FDHSMMDKGRXMLR-MJBXVCDLSA-N 2 0 268.470 2.769 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537017 383126691 /nfs/dbraw/zinc/12/66/91/383126691.db2.gz BQLNLPOBMIZDCN-DMRZNYOFSA-N 2 0 250.430 2.933 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000246993752 383129157 /nfs/dbraw/zinc/12/91/57/383129157.db2.gz PIMCTPCMQNTSMC-DLBZAZTESA-N 2 0 286.419 2.538 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000339044931 383131448 /nfs/dbraw/zinc/13/14/48/383131448.db2.gz QTSAAZWNLAMVAZ-NVXWUHKLSA-N 2 0 292.467 2.894 20 0 CFADRP COC[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247055080 383137436 /nfs/dbraw/zinc/13/74/36/383137436.db2.gz MHILBGMEGDHDGU-HPFXQQBRSA-N 2 0 290.451 2.768 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067847 383138614 /nfs/dbraw/zinc/13/86/14/383138614.db2.gz JOAZHTSPXKEARL-IAGOWNOFSA-N 2 0 288.435 2.899 20 0 CFADRP c1ccc2nc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000339066329 383138745 /nfs/dbraw/zinc/13/87/45/383138745.db2.gz HKTBMZPDNOUQRP-ZWKOTPCHSA-N 2 0 295.430 2.994 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC000247138859 383146925 /nfs/dbraw/zinc/14/69/25/383146925.db2.gz WAYAHYUOOMBOBR-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(C)nc2C)C1 ZINC000247075623 383138942 /nfs/dbraw/zinc/13/89/42/383138942.db2.gz HUBREAWNAHXVNV-ZWNOBZJWSA-N 2 0 267.442 2.752 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000247073467 383139108 /nfs/dbraw/zinc/13/91/08/383139108.db2.gz OJWUWZBUTWBGDF-WBVHZDCISA-N 2 0 292.471 2.973 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(C)nc2C)C1 ZINC000247075607 383139414 /nfs/dbraw/zinc/13/94/14/383139414.db2.gz HUBREAWNAHXVNV-MFKMUULPSA-N 2 0 267.442 2.752 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000423394772 383081092 /nfs/dbraw/zinc/08/10/92/383081092.db2.gz SIDSKWSFYNMRTJ-CFVMTHIKSA-N 2 0 292.423 2.885 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C2CC2)cc1 ZINC000423395379 383081229 /nfs/dbraw/zinc/08/12/29/383081229.db2.gz SRUVIRVAGYMEQB-ISTRZQFTSA-N 2 0 274.408 2.876 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C12CCCCC2 ZINC000423396683 383082284 /nfs/dbraw/zinc/08/22/84/383082284.db2.gz SHNWTGQURBTMSZ-YHUYYLMFSA-N 2 0 280.456 2.974 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C2CC2)c1 ZINC000423402846 383084601 /nfs/dbraw/zinc/08/46/01/383084601.db2.gz WSGQMKCSRFDJTL-JZXOWHBKSA-N 2 0 288.435 2.876 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000423405362 383085237 /nfs/dbraw/zinc/08/52/37/383085237.db2.gz TUNSKZPPNYHYQN-DYVFJYSZSA-N 2 0 271.408 2.557 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000423406217 383085791 /nfs/dbraw/zinc/08/57/91/383085791.db2.gz ULMUOLFLERDCIU-NTZNESFSSA-N 2 0 252.427 2.959 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccncc1F ZINC000423405682 383085850 /nfs/dbraw/zinc/08/58/50/383085850.db2.gz YHEAPPKAZNXQHE-LLVKDONJSA-N 2 0 271.339 2.675 20 0 CFADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000423407579 383086566 /nfs/dbraw/zinc/08/65/66/383086566.db2.gz WACXKDQPGNEAMA-XYPHTWIQSA-N 2 0 294.414 2.881 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCc3c2cccc3C)CC[NH2+]CC1 ZINC000423411544 383087518 /nfs/dbraw/zinc/08/75/18/383087518.db2.gz UVCHIGZLGFAIRJ-QGZVFWFLSA-N 2 0 288.435 2.588 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cccc(F)c2F)CC[NH2+]CC1 ZINC000423412162 383087654 /nfs/dbraw/zinc/08/76/54/383087654.db2.gz WISPKWCKWXAHLV-LBPRGKRZSA-N 2 0 298.377 2.632 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416532 383089067 /nfs/dbraw/zinc/08/90/67/383089067.db2.gz CRLROLJSXDGHCZ-KLHDSHLOSA-N 2 0 268.445 2.546 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCCO[C@H]21 ZINC000423415874 383089266 /nfs/dbraw/zinc/08/92/66/383089266.db2.gz BMGIRLNFLWHGSF-OXGONZEZSA-N 2 0 280.456 2.545 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCCO[C@@H]21 ZINC000423415873 383089283 /nfs/dbraw/zinc/08/92/83/383089283.db2.gz BMGIRLNFLWHGSF-GVRJEKJASA-N 2 0 280.456 2.545 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434508 383094519 /nfs/dbraw/zinc/09/45/19/383094519.db2.gz NZYSWIHMWMJVOJ-XUWVNRHRSA-N 2 0 276.449 2.611 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423436929 383096191 /nfs/dbraw/zinc/09/61/91/383096191.db2.gz MBIAJDGZTYNZRQ-XFBWCDHKSA-N 2 0 262.372 2.864 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000423441672 383097259 /nfs/dbraw/zinc/09/72/59/383097259.db2.gz UQTABQLGBMETJJ-SMDDNHRTSA-N 2 0 293.386 2.706 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423443163 383098113 /nfs/dbraw/zinc/09/81/13/383098113.db2.gz VMOBCHCTGNKEMP-RHDGKQPCSA-N 2 0 282.840 2.701 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)o1 ZINC000423443046 383098375 /nfs/dbraw/zinc/09/83/75/383098375.db2.gz QCVIAQJLFURNLG-TUKIKUTGSA-N 2 0 262.397 2.881 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000423443886 383098405 /nfs/dbraw/zinc/09/84/05/383098405.db2.gz KXHNEGCNMVYQPM-UOVKNHIHSA-N 2 0 250.361 2.787 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCCC[NH3+])CC2 ZINC000423445972 383098768 /nfs/dbraw/zinc/09/87/68/383098768.db2.gz YMCLLSDYMFNSDZ-MLGOLLRUSA-N 2 0 262.397 2.790 20 0 CFADRP CC(C)(C)C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423445452 383098817 /nfs/dbraw/zinc/09/88/17/383098817.db2.gz XWBQPOQWYZZTIJ-QXSJWSMHSA-N 2 0 258.409 2.971 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449914 383099933 /nfs/dbraw/zinc/09/99/33/383099933.db2.gz WXSBIJSZXBQHFR-HZMVEIRTSA-N 2 0 294.483 2.948 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(OC)c1 ZINC000423448684 383100017 /nfs/dbraw/zinc/10/00/17/383100017.db2.gz FKKLHKVCERRRBC-WFASDCNBSA-N 2 0 250.386 2.863 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423453025 383101051 /nfs/dbraw/zinc/10/10/51/383101051.db2.gz ZXNJWMIYAPUPIF-SLBVQIDZSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(F)cc1N(C)C ZINC000423451796 383101058 /nfs/dbraw/zinc/10/10/58/383101058.db2.gz IZCGRUUTTSAMEC-NWDGAFQWSA-N 2 0 267.392 2.670 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C12CCC2 ZINC000246765712 383101597 /nfs/dbraw/zinc/10/15/97/383101597.db2.gz GPTQPYCIIPYIEE-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423455495 383101745 /nfs/dbraw/zinc/10/17/45/383101745.db2.gz CNGWUTPISSIODR-NZBPQXDJSA-N 2 0 262.397 2.558 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)CCC[NH3+])s1 ZINC000423458158 383102814 /nfs/dbraw/zinc/10/28/14/383102814.db2.gz PUUMNULBNPVKIN-ZJUUUORDSA-N 2 0 255.431 2.792 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000423459949 383103994 /nfs/dbraw/zinc/10/39/94/383103994.db2.gz ALUWNELQLMPSSN-WOSRLPQWSA-N 2 0 274.408 2.877 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c(F)c1 ZINC000423464986 383105668 /nfs/dbraw/zinc/10/56/68/383105668.db2.gz WHOVUOCZIMKJQQ-GHMZBOCLSA-N 2 0 254.349 2.612 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000423467518 383107476 /nfs/dbraw/zinc/10/74/76/383107476.db2.gz JDSFNBBHBDHJOK-MZBWOGCUSA-N 2 0 280.456 2.689 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000423473911 383109503 /nfs/dbraw/zinc/10/95/03/383109503.db2.gz GYOAXEPPJYTGLW-ZFWWWQNUSA-N 2 0 290.407 2.641 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423474570 383110462 /nfs/dbraw/zinc/11/04/62/383110462.db2.gz RHFWXJUDYNSLJL-PWSUYJOCSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423479451 383112584 /nfs/dbraw/zinc/11/25/84/383112584.db2.gz VHBWWYDWEXUJCO-ZIBATOQPSA-N 2 0 266.816 2.986 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000246875499 383115940 /nfs/dbraw/zinc/11/59/40/383115940.db2.gz DSISWTKGROBMSL-XIRDDKMYSA-N 2 0 276.424 2.694 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423486405 383116460 /nfs/dbraw/zinc/11/64/60/383116460.db2.gz SQGRBORCUOFBDJ-BBRMVZONSA-N 2 0 292.398 2.943 20 0 CFADRP c1csc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)c1 ZINC000423488133 383117967 /nfs/dbraw/zinc/11/79/67/383117967.db2.gz DLRWDFQGMBFVRN-HOCLYGCPSA-N 2 0 294.464 2.948 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1O ZINC000423488782 383118000 /nfs/dbraw/zinc/11/80/00/383118000.db2.gz VSIWBKWZBUGCSO-TZMCWYRMSA-N 2 0 278.396 2.584 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449097006 383173451 /nfs/dbraw/zinc/17/34/51/383173451.db2.gz BNNGBZLMWRCCPA-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP CCCC[C@@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424081283 383176802 /nfs/dbraw/zinc/17/68/02/383176802.db2.gz VCBUKOABBUMITB-CVEARBPZSA-N 2 0 297.487 2.698 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449129040 383180169 /nfs/dbraw/zinc/18/01/69/383180169.db2.gz BCCDECOVVRVWNB-CVEARBPZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@](O)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000517459598 383182395 /nfs/dbraw/zinc/18/23/95/383182395.db2.gz AZCUXZMZKIHQRM-GOSISDBHSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449209314 383183936 /nfs/dbraw/zinc/18/39/36/383183936.db2.gz PHOGTQIIMLZQFT-QKPAOTATSA-N 2 0 268.445 2.510 20 0 CFADRP C[NH+](C)CCCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424127901 383184722 /nfs/dbraw/zinc/18/47/22/383184722.db2.gz DRDHXOMTUPIMHD-MRXNPFEDSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000518339204 383195473 /nfs/dbraw/zinc/19/54/73/383195473.db2.gz VCKOZDSDCHPMGC-JHJVBQTASA-N 2 0 252.427 2.657 20 0 CFADRP C[NH+](C)Cc1ccccc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000518494803 383199977 /nfs/dbraw/zinc/19/99/77/383199977.db2.gz NKTGZNNUTSEXDI-UHFFFAOYSA-N 2 0 294.358 2.648 20 0 CFADRP COC(=O)CC1CC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000424260348 383202610 /nfs/dbraw/zinc/20/26/10/383202610.db2.gz DHSDKQNUMBNIBM-FHERZECASA-N 2 0 296.455 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC)[C@@H](C)C1 ZINC000248022307 383207485 /nfs/dbraw/zinc/20/74/85/383207485.db2.gz NXVHOMPLDQTJKG-GOEBONIOSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248065964 383209441 /nfs/dbraw/zinc/20/94/41/383209441.db2.gz MFPCZIWMXPCSGV-DOTOQJQBSA-N 2 0 260.425 2.918 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000247248045 383156195 /nfs/dbraw/zinc/15/61/95/383156195.db2.gz XBGBHZHZBPTAJD-ZFWWWQNUSA-N 2 0 264.438 2.973 20 0 CFADRP C(C[NH2+][C@H]1CCOC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000449069073 383159814 /nfs/dbraw/zinc/15/98/14/383159814.db2.gz VUBPSFFTVHCJLJ-HNNXBMFYSA-N 2 0 266.429 2.554 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449080433 383166278 /nfs/dbraw/zinc/16/62/78/383166278.db2.gz WEEHEZOGSHUFQV-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2[nH]cnc2c1)C[NH+]1CCCCC1 ZINC000520201699 383251812 /nfs/dbraw/zinc/25/18/12/383251812.db2.gz BDDDDOCANHCJEA-CQSZACIVSA-N 2 0 286.423 2.775 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ncc(C)s2)[C@@H](C)C1 ZINC000248528849 383253676 /nfs/dbraw/zinc/25/36/76/383253676.db2.gz WJGWOOKTXPLLMD-DYEKYZERSA-N 2 0 281.469 2.875 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000567462463 383277563 /nfs/dbraw/zinc/27/75/63/383277563.db2.gz ABILQWTVXNWYOP-HZMBPMFUSA-N 2 0 252.789 2.772 20 0 CFADRP COCc1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339498370 383217750 /nfs/dbraw/zinc/21/77/50/383217750.db2.gz QTJBLVYMCWWTIU-UHFFFAOYSA-N 2 0 297.468 2.645 20 0 CFADRP Cc1cccc(CC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000449332716 383222567 /nfs/dbraw/zinc/22/25/67/383222567.db2.gz SBOAXDDKSLMRAU-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1ccc([C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000566915964 383225606 /nfs/dbraw/zinc/22/56/06/383225606.db2.gz RBBRUVNMRWITFM-IAGOWNOFSA-N 2 0 258.409 2.784 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566926535 383226755 /nfs/dbraw/zinc/22/67/55/383226755.db2.gz MZGGYFQLPFOUMG-PMPSAXMXSA-N 3 0 267.461 2.501 20 0 CFADRP CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248391050 383233623 /nfs/dbraw/zinc/23/36/23/383233623.db2.gz BWRYFHBNAXRZGM-BRWVUGGUSA-N 2 0 258.409 2.897 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393877 383233927 /nfs/dbraw/zinc/23/39/27/383233927.db2.gz FECIOQQZQOQXHZ-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000519775257 383235184 /nfs/dbraw/zinc/23/51/84/383235184.db2.gz GANATAMVOKDBLM-XIRDDKMYSA-N 2 0 294.389 2.970 20 0 CFADRP C[C@H](CCO)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449355836 383235654 /nfs/dbraw/zinc/23/56/54/383235654.db2.gz DQMKLABUMVOSHQ-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000248426847 383241114 /nfs/dbraw/zinc/24/11/14/383241114.db2.gz NTJHFDBVADMYQU-KSZLIROESA-N 2 0 293.499 2.594 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000248436776 383242083 /nfs/dbraw/zinc/24/20/83/383242083.db2.gz GPKKFNCADPCMJH-RDTXWAMCSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422706109 296345169 /nfs/dbraw/zinc/34/51/69/296345169.db2.gz DKFWXBXOHIZJJR-WCVJEAGWSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000567915241 383331103 /nfs/dbraw/zinc/33/11/03/383331103.db2.gz LVXHYWDXGLHBDF-NEPJUHHUSA-N 2 0 268.788 2.578 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000634733084 383334871 /nfs/dbraw/zinc/33/48/71/383334871.db2.gz WYINOZBATVIUSF-INIZCTEOSA-N 2 0 298.434 2.740 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733491 383335080 /nfs/dbraw/zinc/33/50/80/383335080.db2.gz GWVOLZCXVWCQQM-MRXNPFEDSA-N 2 0 275.440 2.690 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732798 383335406 /nfs/dbraw/zinc/33/54/06/383335406.db2.gz OZMZXYVTKYBUAS-MRXNPFEDSA-N 2 0 276.424 2.701 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733903 383336650 /nfs/dbraw/zinc/33/66/50/383336650.db2.gz QUZMANCARAWDGP-UKRRQHHQSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733859 383336898 /nfs/dbraw/zinc/33/68/98/383336898.db2.gz PVZWCZZMXRVAOF-BZUAXINKSA-N 2 0 281.488 2.665 20 0 CFADRP Cc1cccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000339847386 383338101 /nfs/dbraw/zinc/33/81/01/383338101.db2.gz NWXWGQIWGBDBPG-IAGOWNOFSA-N 2 0 258.409 2.911 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+](C)C ZINC000249303943 383339188 /nfs/dbraw/zinc/33/91/88/383339188.db2.gz IHXCVSSIFXQSPM-SRABZTEZSA-N 2 0 283.504 2.671 20 0 CFADRP C/C(=C\c1ccccc1)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000522630767 383339861 /nfs/dbraw/zinc/33/98/61/383339861.db2.gz ZBSJUXMZCSVNRY-JQIJEIRASA-N 2 0 288.435 2.526 20 0 CFADRP Cc1c[nH+]ccc1NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000425233238 383344849 /nfs/dbraw/zinc/34/48/49/383344849.db2.gz GGKRNZLHEVIQHO-HNNXBMFYSA-N 2 0 296.418 2.844 20 0 CFADRP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000449510166 383346483 /nfs/dbraw/zinc/34/64/83/383346483.db2.gz KRYPSFVSOGWYPB-IAGOWNOFSA-N 2 0 284.488 2.738 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000248756148 383288638 /nfs/dbraw/zinc/28/86/38/383288638.db2.gz GDWQCZASHGJMEA-ILXRZTDVSA-N 2 0 268.445 2.510 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000521372099 383294922 /nfs/dbraw/zinc/29/49/22/383294922.db2.gz XKVPEZWEPFQMCB-SFHVURJKSA-N 2 0 285.435 2.720 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000459733119 383295602 /nfs/dbraw/zinc/29/56/02/383295602.db2.gz GJFHFTKUVIVGGQ-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000567654835 383298051 /nfs/dbraw/zinc/29/80/51/383298051.db2.gz NWIRXDPZDQDKFO-DOMZBBRYSA-N 2 0 262.397 2.790 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459796057 383298044 /nfs/dbraw/zinc/29/80/44/383298044.db2.gz VZRWKTTWSZUOPS-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248880249 383301280 /nfs/dbraw/zinc/30/12/80/383301280.db2.gz KLYRCTOFKWHUPC-AKBNIOSXSA-N 2 0 280.456 2.652 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000567723936 383306968 /nfs/dbraw/zinc/30/69/68/383306968.db2.gz CQBYQBDZDCIVIA-RDJZCZTQSA-N 2 0 271.408 2.960 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634681596 383310624 /nfs/dbraw/zinc/31/06/24/383310624.db2.gz SQHBVLSLQCZBTP-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccs1 ZINC000422760832 532978010 /nfs/dbraw/zinc/97/80/10/532978010.db2.gz QLAJKKZYKVPUMV-CZUORRHYSA-N 2 0 274.433 2.839 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCCC2 ZINC000249039798 383320455 /nfs/dbraw/zinc/32/04/55/383320455.db2.gz ULNAHJFQVPQOPR-VEDBGLOESA-N 2 0 292.467 2.939 20 0 CFADRP C[C@H]1Cc2ccccc2N1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249051710 383321891 /nfs/dbraw/zinc/32/18/91/383321891.db2.gz XPRHAPQDINCJFO-MIGBEJBISA-N 2 0 299.462 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(OC)c2ccccc2)[C@@H](C)C1 ZINC000449483200 383323994 /nfs/dbraw/zinc/32/39/94/383323994.db2.gz HEBKQOXIEKHOKW-SZMVWBNQSA-N 2 0 290.451 2.868 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000251487384 383388912 /nfs/dbraw/zinc/38/89/12/383388912.db2.gz BYUBYJFRJIWYIP-YDHLFZDLSA-N 2 0 262.397 2.815 20 0 CFADRP CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000568321014 383390880 /nfs/dbraw/zinc/39/08/80/383390880.db2.gz WNUVEMGYTVYXJL-IRXDYDNUSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@]1(C)CCCO1 ZINC000340256911 383393481 /nfs/dbraw/zinc/39/34/81/383393481.db2.gz KGJINKODHOVREF-RHSMWYFYSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000568380694 383396368 /nfs/dbraw/zinc/39/63/68/383396368.db2.gz RLHFLSXMZGXORR-APHBMKBZSA-N 2 0 295.858 2.673 20 0 CFADRP C(C[NH+]1CC[C@H]2CCC[C@H]21)OCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426475676 383401864 /nfs/dbraw/zinc/40/18/64/383401864.db2.gz YYUVHLFJJFXJMH-USTZCAOPSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@H](CC1CCCCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479938500 383413150 /nfs/dbraw/zinc/41/31/50/383413150.db2.gz GUIIKDHJEYCVFQ-BMFZPTHFSA-N 2 0 250.430 2.744 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)C1 ZINC000568107523 383359631 /nfs/dbraw/zinc/35/96/31/383359631.db2.gz PWOLVQNLSKHFAK-CABCVRRESA-N 2 0 262.372 2.717 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)C1 ZINC000568107525 383360108 /nfs/dbraw/zinc/36/01/08/383360108.db2.gz PWOLVQNLSKHFAK-HUUCEWRRSA-N 2 0 262.372 2.717 20 0 CFADRP COCCCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156257 383366683 /nfs/dbraw/zinc/36/66/83/383366683.db2.gz ZMGRUUNYDUITAZ-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000249947722 383366957 /nfs/dbraw/zinc/36/69/57/383366957.db2.gz JLQAHNHIWKKBBM-MJBXVCDLSA-N 2 0 258.475 2.981 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@]1(C)CCCO1 ZINC000340171089 383367196 /nfs/dbraw/zinc/36/71/96/383367196.db2.gz HLJZINLALHRXOQ-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000249966878 383368456 /nfs/dbraw/zinc/36/84/56/383368456.db2.gz NXPGJHCADIMMKX-ARFHVFGLSA-N 2 0 297.487 2.521 20 0 CFADRP C[N@H+](CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000250008536 383369110 /nfs/dbraw/zinc/36/91/10/383369110.db2.gz UHAIBIASMPPMEY-AEFFLSMTSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000340186950 383374321 /nfs/dbraw/zinc/37/43/21/383374321.db2.gz ZJBPXULLRDBOMY-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250861563 383381619 /nfs/dbraw/zinc/38/16/19/383381619.db2.gz QHRKQNMRZVQAAF-BRWVUGGUSA-N 2 0 280.456 2.846 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250861565 383381734 /nfs/dbraw/zinc/38/17/34/383381734.db2.gz QHRKQNMRZVQAAF-GVDBMIGSSA-N 2 0 280.456 2.846 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)C1 ZINC000568247455 383381877 /nfs/dbraw/zinc/38/18/77/383381877.db2.gz MVAOYTVIJBVYGB-OLZOCXBDSA-N 2 0 280.362 2.856 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474716856 383384681 /nfs/dbraw/zinc/38/46/81/383384681.db2.gz ZWRMQNBDWVZXQZ-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1cccc(C)c1 ZINC000480019438 383414835 /nfs/dbraw/zinc/41/48/35/383414835.db2.gz MDEUOQSMTVLFRZ-AEFFLSMTSA-N 2 0 289.467 2.751 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)on1 ZINC000450468743 383423814 /nfs/dbraw/zinc/42/38/14/383423814.db2.gz PCHDZAFCEUCBAV-GDBMZVCRSA-N 2 0 293.455 2.974 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CCCC1 ZINC000340461129 383425670 /nfs/dbraw/zinc/42/56/70/383425670.db2.gz DQYXMAXIWFBYQQ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000340471511 383431228 /nfs/dbraw/zinc/43/12/28/383431228.db2.gz XQGWCWLTYVROQQ-HNNXBMFYSA-N 2 0 290.451 2.838 20 0 CFADRP C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)CC[NH+]1CCCC1 ZINC000340473571 383433174 /nfs/dbraw/zinc/43/31/74/383433174.db2.gz LYWQUOJOSBIAOU-BBWFWOEESA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252776915 383433805 /nfs/dbraw/zinc/43/38/05/383433805.db2.gz OMWUUWFOPSPADP-ZFWWWQNUSA-N 2 0 262.397 2.643 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423453135 532983728 /nfs/dbraw/zinc/98/37/28/532983728.db2.gz ADDKJZTYPDPBAD-MJBXVCDLSA-N 2 0 292.423 2.872 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000340474993 383434817 /nfs/dbraw/zinc/43/48/17/383434817.db2.gz VBJHORITTWPNET-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000340477197 383435791 /nfs/dbraw/zinc/43/57/91/383435791.db2.gz KUELCMXRMBHVJT-LBPRGKRZSA-N 2 0 282.403 2.790 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252853927 383437680 /nfs/dbraw/zinc/43/76/80/383437680.db2.gz JLLMPROUOXVXIO-AVGNSLFASA-N 2 0 250.411 2.616 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252846406 383437689 /nfs/dbraw/zinc/43/76/89/383437689.db2.gz FNNOMFFWFLHRPV-ZFZWDLNGSA-N 2 0 274.408 2.815 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)C1 ZINC000568823812 383438756 /nfs/dbraw/zinc/43/87/56/383438756.db2.gz PNMKNXRFZLPGLU-RDBSUJKOSA-N 2 0 270.486 2.838 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000252893952 383438972 /nfs/dbraw/zinc/43/89/72/383438972.db2.gz SEYWHJVUZKEEKD-CJNGLKHVSA-N 2 0 262.397 2.515 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc2nccnc2c1 ZINC000634986180 383444747 /nfs/dbraw/zinc/44/47/47/383444747.db2.gz ODWMULNGXVMCLZ-AWEZNQCLSA-N 2 0 284.407 2.592 20 0 CFADRP c1ccc([C@H]2CSCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991456 383446691 /nfs/dbraw/zinc/44/66/91/383446691.db2.gz FLQCTDHBEIDCNE-OGVSOVDVSA-N 2 0 274.433 2.529 20 0 CFADRP C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000253152338 383446606 /nfs/dbraw/zinc/44/66/06/383446606.db2.gz JCGYZNHWEWQETF-TVQRCGJNSA-N 2 0 256.752 2.648 20 0 CFADRP Cc1ccccc1[C@@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634991589 383446788 /nfs/dbraw/zinc/44/67/88/383446788.db2.gz JZWRFQPWHUDGKI-WIHSUSGWSA-N 2 0 256.393 2.884 20 0 CFADRP Cc1ccc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991865 383446896 /nfs/dbraw/zinc/44/68/96/383446896.db2.gz UQBFVNFXUOMATF-ARWYELJZSA-N 2 0 256.393 2.884 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000340510495 383448609 /nfs/dbraw/zinc/44/86/09/383448609.db2.gz NJRKKAFHXRZLHN-MRXNPFEDSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340508951 383448783 /nfs/dbraw/zinc/44/87/83/383448783.db2.gz IVFIRBSUJSZPBL-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000253309200 383450377 /nfs/dbraw/zinc/45/03/77/383450377.db2.gz BVMOXXBXSMKDPN-SFHVURJKSA-N 2 0 289.467 2.707 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000568939031 383451094 /nfs/dbraw/zinc/45/10/94/383451094.db2.gz YOYUWSLQTGJHST-PBFPGSCMSA-N 2 0 276.399 2.990 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998607 383453458 /nfs/dbraw/zinc/45/34/58/383453458.db2.gz IGWWFYKPHZNPER-XJKSGUPXSA-N 2 0 298.434 2.516 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000635003255 383459462 /nfs/dbraw/zinc/45/94/62/383459462.db2.gz HMLJEHCPSORMLB-FKGLVLAHSA-N 2 0 282.815 2.885 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000635004230 383460329 /nfs/dbraw/zinc/46/03/29/383460329.db2.gz HLVFELJKRWBMRD-SUYBPPKGSA-N 2 0 274.408 2.877 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000635004454 383460754 /nfs/dbraw/zinc/46/07/54/383460754.db2.gz OSGJTNHMDGTCLD-RKLWJJNISA-N 2 0 296.361 2.654 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)cn1 ZINC000635004056 383460871 /nfs/dbraw/zinc/46/08/71/383460871.db2.gz GRYSZOKFUBMZBY-GVXVVHGQSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635005723 383461880 /nfs/dbraw/zinc/46/18/80/383461880.db2.gz JSHPBZXAXZPXSR-IIAWOOMASA-N 2 0 273.424 2.564 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635006132 383461895 /nfs/dbraw/zinc/46/18/95/383461895.db2.gz LGHRRKYSHNJVTF-UMVBOHGHSA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000635005930 383462108 /nfs/dbraw/zinc/46/21/08/383462108.db2.gz QLUGNPYCIQSPNY-WRQOLXDDSA-N 2 0 280.456 2.689 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)CCC2)cc1 ZINC000569258926 383482631 /nfs/dbraw/zinc/48/26/31/383482631.db2.gz NOLUPIPCNSOJCH-JKSUJKDBSA-N 2 0 288.435 2.976 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635006205 383462948 /nfs/dbraw/zinc/46/29/48/383462948.db2.gz XUHHUTQKBXIPKW-SCZZXKLOSA-N 2 0 278.343 2.984 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635006439 383463465 /nfs/dbraw/zinc/46/34/65/383463465.db2.gz MMUAZDWHTRBVPN-MGPQQGTHSA-N 2 0 292.423 2.872 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000635006721 383463645 /nfs/dbraw/zinc/46/36/45/383463645.db2.gz MUFMPSIZMKXBPH-SHTZXODSSA-N 2 0 280.456 2.833 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008399 383464292 /nfs/dbraw/zinc/46/42/92/383464292.db2.gz JNIHASXJGNKNBT-HNNXBMFYSA-N 2 0 298.390 2.574 20 0 CFADRP [NH3+][C@H](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000635007432 383464690 /nfs/dbraw/zinc/46/46/90/383464690.db2.gz OIRNVYQUOBDZCT-MNEFBYGVSA-N 2 0 295.430 2.681 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cncs1 ZINC000635009831 383466679 /nfs/dbraw/zinc/46/66/79/383466679.db2.gz WKWDXRCQIHZQAQ-GXTWGEPZSA-N 2 0 275.421 2.754 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000450573268 383467046 /nfs/dbraw/zinc/46/70/46/383467046.db2.gz WKBAUHABBJVEQI-JKSUJKDBSA-N 2 0 290.455 2.852 20 0 CFADRP Cc1cncc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635011390 383467312 /nfs/dbraw/zinc/46/73/12/383467312.db2.gz NMRIKMKSGTUIJE-ZFWWWQNUSA-N 2 0 261.413 2.819 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010507 383467406 /nfs/dbraw/zinc/46/74/06/383467406.db2.gz MUSBDZMJBMVLCB-KBXCAEBGSA-N 2 0 288.435 2.627 20 0 CFADRP COC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000635012531 383468290 /nfs/dbraw/zinc/46/82/90/383468290.db2.gz VPVWEPVZMDGOHB-SFHVURJKSA-N 2 0 288.435 2.627 20 0 CFADRP CCn1c2ccccc2nc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000569119751 383470046 /nfs/dbraw/zinc/47/00/46/383470046.db2.gz NJVTZOCVGYLHCD-CYBMUJFWSA-N 2 0 286.423 2.615 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635013870 383470248 /nfs/dbraw/zinc/47/02/48/383470248.db2.gz JCJLEXIHDNBXHC-GXTWGEPZSA-N 2 0 284.831 2.523 20 0 CFADRP C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000635013991 383470600 /nfs/dbraw/zinc/47/06/00/383470600.db2.gz XKRBTOKCUOMVGR-ARFHVFGLSA-N 2 0 280.456 2.846 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000635021919 383473344 /nfs/dbraw/zinc/47/33/44/383473344.db2.gz PWJVPOIVVCJPOJ-ARFHVFGLSA-N 2 0 285.435 2.802 20 0 CFADRP C[C@@]1(C[NH+]2CCC(OCc3ccccc3)CC2)CC[NH2+]C1 ZINC000261714533 383546902 /nfs/dbraw/zinc/54/69/02/383546902.db2.gz DZNUPEKGWIMZND-GOSISDBHSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H]1CCN(CC[NH2+]CCc2cccc(Cl)c2)C1 ZINC000569906237 383548487 /nfs/dbraw/zinc/54/84/87/383548487.db2.gz KXMSKEUKPIKXAD-ZDUSSCGKSA-N 2 0 266.816 2.814 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000569303186 383485209 /nfs/dbraw/zinc/48/52/09/383485209.db2.gz PSLIVTIPIIMVSV-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Clc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000257721089 383497957 /nfs/dbraw/zinc/49/79/57/383497957.db2.gz VPKIJVKPGVNAFX-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429579935 383550162 /nfs/dbraw/zinc/55/01/62/383550162.db2.gz NOEZOQHHVOVVSZ-DOMZBBRYSA-N 2 0 275.396 2.519 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261579827 383519978 /nfs/dbraw/zinc/51/99/78/383519978.db2.gz FBOBRIYCVIFOFN-ZOBUZTSGSA-N 2 0 256.393 2.605 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261579824 383520046 /nfs/dbraw/zinc/52/00/46/383520046.db2.gz FBOBRIYCVIFOFN-INMHGKMJSA-N 2 0 256.393 2.605 20 0 CFADRP CC1(C)CCC(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000261585836 383521244 /nfs/dbraw/zinc/52/12/44/383521244.db2.gz TYJRFKJEHGAEIF-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP C[NH+](C)Cc1ccccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635263163 383521945 /nfs/dbraw/zinc/52/19/45/383521945.db2.gz BPBWWDNVQQVZRF-UHFFFAOYSA-N 2 0 291.439 2.665 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(-c2ccnn2C)c1 ZINC000261749275 383552740 /nfs/dbraw/zinc/55/27/40/383552740.db2.gz CCIHKSFHECPLCT-LSDHHAIUSA-N 2 0 298.434 2.565 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000488342976 383523721 /nfs/dbraw/zinc/52/37/21/383523721.db2.gz FCHXBFUDPJZLRA-DOTOQJQBSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000488348078 383524282 /nfs/dbraw/zinc/52/42/82/383524282.db2.gz AVBJOAUBFSKGGT-KONPQCLYSA-N 2 0 294.483 2.854 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cnc3ccccc3c2)C[C@H]1C[NH3+] ZINC000261596730 383525055 /nfs/dbraw/zinc/52/50/55/383525055.db2.gz PGVMSGJLSZNCTB-XJKSGUPXSA-N 2 0 269.392 2.652 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261595827 383525682 /nfs/dbraw/zinc/52/56/82/383525682.db2.gz OKWOYJFGSWAIGY-HZPDHXFCSA-N 2 0 262.372 2.962 20 0 CFADRP c1sc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261611028 383527741 /nfs/dbraw/zinc/52/77/41/383527741.db2.gz SKSBTXZRQBRJMF-QWHCGFSZSA-N 2 0 272.417 2.943 20 0 CFADRP C/C(Cl)=C\C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000528425949 383531607 /nfs/dbraw/zinc/53/16/07/383531607.db2.gz SEYNYJUGIBQEAU-KCUGRFIWSA-N 2 0 253.777 2.909 20 0 CFADRP Cc1[nH+]ccc(NC2CC[NH+](C3CCC3)CC2)c1Cl ZINC000450883675 383534448 /nfs/dbraw/zinc/53/44/48/383534448.db2.gz XMTSARSNLFRCGC-UHFFFAOYSA-N 2 0 279.815 2.894 20 0 CFADRP c1nc(CN2CC[C@]3(CC[NH2+]C3)C2)sc1-c1ccccc1 ZINC000261688510 383541884 /nfs/dbraw/zinc/54/18/84/383541884.db2.gz ASYXYYYVTORKIE-KRWDZBQOSA-N 2 0 299.443 2.996 20 0 CFADRP COc1cccc([C@@H](C)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000569824883 383541945 /nfs/dbraw/zinc/54/19/45/383541945.db2.gz LHPLSKBHAVWMKY-TUBUQKNSSA-N 2 0 274.408 2.960 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000450981551 383576445 /nfs/dbraw/zinc/57/64/45/383576445.db2.gz IYGWKHMTEGMEJF-KURKYZTESA-N 2 0 293.499 2.808 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000261893556 383576775 /nfs/dbraw/zinc/57/67/75/383576775.db2.gz UJKZOUNNAWSUDE-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000430916716 383611308 /nfs/dbraw/zinc/61/13/08/383611308.db2.gz HURNKLPCILNJSG-IUODEOHRSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@@]1(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC[NH2+]C1 ZINC000261916486 383579671 /nfs/dbraw/zinc/57/96/71/383579671.db2.gz ZOQUJUWBYKCSLA-GOSISDBHSA-N 2 0 298.434 2.742 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC(C)(C)[NH3+])CC1)CC1CC1 ZINC000261942954 383582609 /nfs/dbraw/zinc/58/26/09/383582609.db2.gz MYWIEFGOFBBBRA-UHFFFAOYSA-N 3 0 281.488 2.558 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCCCCC1 ZINC000423198337 532993715 /nfs/dbraw/zinc/99/37/15/532993715.db2.gz FGZLSAPYYNFEBY-WBVHZDCISA-N 2 0 289.467 2.586 20 0 CFADRP COc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)ccc1SC ZINC000261943023 383583364 /nfs/dbraw/zinc/58/33/64/383583364.db2.gz DZMYQSKCFWNDIN-MRXNPFEDSA-N 2 0 292.448 2.603 20 0 CFADRP C[C@]1(CN2CC[C@@](F)(c3ccccc3F)C2)CC[NH2+]C1 ZINC000261952940 383586331 /nfs/dbraw/zinc/58/63/31/383586331.db2.gz GFMWLKRJIYLXAF-HOTGVXAUSA-N 2 0 280.362 2.696 20 0 CFADRP Clc1cccnc1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261961118 383587324 /nfs/dbraw/zinc/58/73/24/383587324.db2.gz PGQVUTIDPJCTHC-UHFFFAOYSA-N 2 0 293.842 2.914 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC(F)(F)C1 ZINC000423126875 532993922 /nfs/dbraw/zinc/99/39/22/532993922.db2.gz JFJBDRKGIILQSL-RISCZKNCSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC(C)(F)F ZINC000423146485 532993985 /nfs/dbraw/zinc/99/39/85/532993985.db2.gz PNCSRXATGRXCHR-OCCSQVGLSA-N 2 0 270.367 2.970 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000261985100 383591643 /nfs/dbraw/zinc/59/16/43/383591643.db2.gz RVDCBGNHXHWCTC-QCPWZWHMSA-N 2 0 276.399 2.988 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC(F)(F)F ZINC000422959878 532994216 /nfs/dbraw/zinc/99/42/16/532994216.db2.gz AFTYQAMCIKZQMY-YPMHNXCESA-N 2 0 274.330 2.877 20 0 CFADRP COc1cc2c(NC[C@H](C)C[NH+](C)C)cc[nH+]c2cc1F ZINC000489023495 383591802 /nfs/dbraw/zinc/59/18/02/383591802.db2.gz YZSZEQMEOONFPA-NSHDSACASA-N 2 0 291.370 2.992 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261995463 383592719 /nfs/dbraw/zinc/59/27/19/383592719.db2.gz STUDUOQOWPOMBJ-GFCCVEGCSA-N 2 0 290.436 2.699 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000430544230 383594134 /nfs/dbraw/zinc/59/41/34/383594134.db2.gz NSAMWANLWNBNKO-NORZTCDRSA-N 2 0 262.372 2.872 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430921052 383612969 /nfs/dbraw/zinc/61/29/69/383612969.db2.gz RIBSFEJTPKBTCG-GFCCVEGCSA-N 2 0 284.856 2.973 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262012466 383595300 /nfs/dbraw/zinc/59/53/00/383595300.db2.gz VFZJOHLMCFHRNX-MRXNPFEDSA-N 2 0 298.434 2.742 20 0 CFADRP CCc1nc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000262213571 383612386 /nfs/dbraw/zinc/61/23/86/383612386.db2.gz LXAHKAVDESWROZ-HAQNSBGRSA-N 2 0 267.442 2.560 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430876545 383608523 /nfs/dbraw/zinc/60/85/23/383608523.db2.gz FZHUVMDWRIYLPH-CYBMUJFWSA-N 2 0 282.391 2.974 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(Cc3cc4ccc(F)cc4[nH]3)[C@@H]2C1 ZINC000488534112 383556316 /nfs/dbraw/zinc/55/63/16/383556316.db2.gz AFYDYOBZSZJVNK-SJKOYZFVSA-N 2 0 287.382 2.833 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000430925873 383612899 /nfs/dbraw/zinc/61/28/99/383612899.db2.gz FFTTXXFJOYJCDP-MRXNPFEDSA-N 2 0 290.451 2.695 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc2s1 ZINC000261776040 383558846 /nfs/dbraw/zinc/55/88/46/383558846.db2.gz FCMGUDOHXLCJGC-CYBMUJFWSA-N 2 0 275.421 2.775 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261805767 383564193 /nfs/dbraw/zinc/56/41/93/383564193.db2.gz HIQPIKUFIHEMPZ-XJKSGUPXSA-N 2 0 274.408 2.645 20 0 CFADRP CCCOc1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261807200 383564321 /nfs/dbraw/zinc/56/43/21/383564321.db2.gz RXIUZRTYSVTIFJ-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000261856059 383571430 /nfs/dbraw/zinc/57/14/30/383571430.db2.gz XGLKJVNQAFRPBN-INIZCTEOSA-N 2 0 287.432 2.981 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000263174479 383655753 /nfs/dbraw/zinc/65/57/53/383655753.db2.gz GATBUHKALPYSLK-RDJZCZTQSA-N 2 0 289.423 2.594 20 0 CFADRP CCc1cccc(OCC[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430933205 383613615 /nfs/dbraw/zinc/61/36/15/383613615.db2.gz HPDQXXCYZFJXIJ-AWEZNQCLSA-N 2 0 276.424 2.687 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000430936355 383614151 /nfs/dbraw/zinc/61/41/51/383614151.db2.gz UNHGVAZUWBMQTB-HNNXBMFYSA-N 2 0 284.403 2.760 20 0 CFADRP CCc1ccc(CC[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430966971 383617539 /nfs/dbraw/zinc/61/75/39/383617539.db2.gz QPLDTPPTNGZUCP-AWEZNQCLSA-N 2 0 260.425 2.851 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021437 383623088 /nfs/dbraw/zinc/62/30/88/383623088.db2.gz JHXABZFCAYJGMG-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC000262562988 383627318 /nfs/dbraw/zinc/62/73/18/383627318.db2.gz VWTLLGIEVBIQMK-GDBMZVCRSA-N 2 0 296.414 2.890 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN(Cc1cccc(Cl)c1)C(C)C ZINC000570763286 383631500 /nfs/dbraw/zinc/63/15/00/383631500.db2.gz DGZISFZFTBCWJV-MRXNPFEDSA-N 2 0 298.858 2.863 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](CC)c1ccncc1)N1CCCC1 ZINC000453100255 383765866 /nfs/dbraw/zinc/76/58/66/383765866.db2.gz YJVCDGPIUXVNCH-HOTGVXAUSA-N 2 0 261.413 2.997 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[NH+]1CCCC1 ZINC000453101999 383766032 /nfs/dbraw/zinc/76/60/32/383766032.db2.gz YZNJJWDIMXKEPL-INIZCTEOSA-N 2 0 275.440 2.868 20 0 CFADRP c1ccc2c(NCCCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000264643268 383767949 /nfs/dbraw/zinc/76/79/49/383767949.db2.gz NBUDONSICLXCPU-UHFFFAOYSA-N 2 0 285.391 2.759 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000453106876 383768039 /nfs/dbraw/zinc/76/80/39/383768039.db2.gz JIKMLVQDOTWWOY-ZNMIVQPWSA-N 2 0 276.428 2.599 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000571060168 383663105 /nfs/dbraw/zinc/66/31/05/383663105.db2.gz ARWGYUCWEJXUBL-SOUVJXGZSA-N 2 0 282.815 2.887 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000571106077 383665866 /nfs/dbraw/zinc/66/58/66/383665866.db2.gz WCWFOTDPNHVQHA-RRFJBIMHSA-N 2 0 279.428 2.522 20 0 CFADRP CCC1([NH+](C)C)CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000640015115 383672976 /nfs/dbraw/zinc/67/29/76/383672976.db2.gz DOQRAKBOBLAPTN-CALCHBBNSA-N 2 0 295.515 2.771 20 0 CFADRP C([NH2+][C@@H]1CCCOCC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436305327 383804048 /nfs/dbraw/zinc/80/40/48/383804048.db2.gz GEYUEAURQCQRNE-WBVHZDCISA-N 2 0 280.456 2.942 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000453217495 383805360 /nfs/dbraw/zinc/80/53/60/383805360.db2.gz OZQWETZIBBHFRY-OAHLLOKOSA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)C1 ZINC000572855779 383827412 /nfs/dbraw/zinc/82/74/12/383827412.db2.gz LWUQAKMTNDJECQ-IRXDYDNUSA-N 2 0 287.451 2.763 20 0 CFADRP CCn1cc(CC[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640533846 383820197 /nfs/dbraw/zinc/82/01/97/383820197.db2.gz XGYLILJMIUBQMH-UHFFFAOYSA-N 2 0 292.471 2.643 20 0 CFADRP COc1ccc(OCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422894674 533011057 /nfs/dbraw/zinc/01/10/57/533011057.db2.gz CUWUEKPSVNYJRR-IRXDYDNUSA-N 2 0 292.423 2.714 20 0 CFADRP Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000264824058 383787594 /nfs/dbraw/zinc/78/75/94/383787594.db2.gz GQGZTSOXDSKXKP-HNNXBMFYSA-N 2 0 298.434 2.591 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436231136 383789913 /nfs/dbraw/zinc/78/99/13/383789913.db2.gz KGOKPHKIDYUMEG-UHFFFAOYSA-N 2 0 290.436 2.570 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CC1 ZINC000453387013 383850376 /nfs/dbraw/zinc/85/03/76/383850376.db2.gz AQIZOYXZBZMVGD-ZACQAIPSSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000453583165 383858638 /nfs/dbraw/zinc/85/86/38/383858638.db2.gz NEDIWYZWLYKELX-OAHLLOKOSA-N 2 0 275.440 2.717 20 0 CFADRP CSC1(C[NH2+]CCCC[N@H+](C)C2CC2)CCC1 ZINC000453600164 383868910 /nfs/dbraw/zinc/86/89/10/383868910.db2.gz RPTBPVCHPFENNV-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000531699899 383907563 /nfs/dbraw/zinc/90/75/63/383907563.db2.gz QWRADCYQQAMTNS-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000573437213 383928098 /nfs/dbraw/zinc/92/80/98/383928098.db2.gz VVLLZEKADVJLPZ-WCQYABFASA-N 2 0 279.453 2.643 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573439170 383928312 /nfs/dbraw/zinc/92/83/12/383928312.db2.gz KWUQSTZUUYFCJE-BPUTZDHNSA-N 2 0 282.472 2.779 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1oc2ccc(F)cc2c1C ZINC000422906059 533019469 /nfs/dbraw/zinc/01/94/69/533019469.db2.gz UCDQAUDHMPLDBI-ZDUSSCGKSA-N 2 0 294.370 2.724 20 0 CFADRP c1cncc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC000573451098 383932674 /nfs/dbraw/zinc/93/26/74/383932674.db2.gz UBKBVLNHHIAOJE-GOSISDBHSA-N 2 0 293.414 2.717 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000422721443 533020475 /nfs/dbraw/zinc/02/04/75/533020475.db2.gz VLFLWSNWROQJAI-ILXRZTDVSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)C1 ZINC000573220589 383895583 /nfs/dbraw/zinc/89/55/83/383895583.db2.gz GRQUXYJLRRMKTC-GYSYKLTISA-N 2 0 264.344 2.509 20 0 CFADRP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](C)S1 ZINC000531614491 383898459 /nfs/dbraw/zinc/89/84/59/383898459.db2.gz KHZXFJNZSPFSOG-MJBXVCDLSA-N 2 0 256.459 2.687 20 0 CFADRP CC[C@H](C[NH2+][C@H](CC)C1CCOCC1)N1CCCC1 ZINC000532195202 383990211 /nfs/dbraw/zinc/99/02/11/383990211.db2.gz MAFWHUUGHBYYNY-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]([NH2+]CCN(C)C1CCCC1)C1CCOCC1 ZINC000532215710 383994148 /nfs/dbraw/zinc/99/41/48/383994148.db2.gz OESATTBBCKKVMR-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000573479215 383937561 /nfs/dbraw/zinc/93/75/61/383937561.db2.gz UOHAGJGPBISVTQ-HOTGVXAUSA-N 2 0 290.451 2.777 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1CCOCC1 ZINC000531944923 383946671 /nfs/dbraw/zinc/94/66/71/383946671.db2.gz HCEKRBGOFYOLBI-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000531995205 383956618 /nfs/dbraw/zinc/95/66/18/383956618.db2.gz HDPYLRSCXQZEPV-OAGGEKHMSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070344079 412972457 /nfs/dbraw/zinc/97/24/57/412972457.db2.gz NOMZSXLPOBZBKL-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532442023 384028101 /nfs/dbraw/zinc/02/81/01/384028101.db2.gz FKEZMNINHZJBFK-LSDHHAIUSA-N 2 0 295.496 2.671 20 0 CFADRP CC(C)[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532442020 384028737 /nfs/dbraw/zinc/02/87/37/384028737.db2.gz FKEZMNINHZJBFK-GJZGRUSLSA-N 2 0 295.496 2.671 20 0 CFADRP CC(C)[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532442017 384029032 /nfs/dbraw/zinc/02/90/32/384029032.db2.gz FKEZMNINHZJBFK-CABCVRRESA-N 2 0 295.496 2.671 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000532524328 384041484 /nfs/dbraw/zinc/04/14/84/384041484.db2.gz VDTPJIGTZHTKRJ-KEYYUXOJSA-N 2 0 276.424 2.729 20 0 CFADRP CC[C@H](F)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440491757 384088845 /nfs/dbraw/zinc/08/88/45/384088845.db2.gz HPLUMVYXSLOMPU-MJBXVCDLSA-N 2 0 256.409 2.977 20 0 CFADRP COCC[NH2+]C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000574210637 384061527 /nfs/dbraw/zinc/06/15/27/384061527.db2.gz NKWBOWMCGRDQIQ-MRXNPFEDSA-N 2 0 290.451 2.881 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)[C@@H](CO)C(C)C ZINC000574489645 384104583 /nfs/dbraw/zinc/10/45/83/384104583.db2.gz XKFMXWLZNCLHQD-YESZJQIVSA-N 2 0 284.488 2.740 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)c1ccnc(C2CC2)n1 ZINC000266266379 384131606 /nfs/dbraw/zinc/13/16/06/384131606.db2.gz QGSGTCRXDOJUQS-CQSZACIVSA-N 2 0 274.412 2.665 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000574683481 384132773 /nfs/dbraw/zinc/13/27/73/384132773.db2.gz MIDQLJFZWJCHQO-DZOHQFGASA-N 2 0 288.435 2.742 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000574844909 384153607 /nfs/dbraw/zinc/15/36/07/384153607.db2.gz PTTVIFRZQNQJQA-OAGGEKHMSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CO2 ZINC000574856061 384155095 /nfs/dbraw/zinc/15/50/95/384155095.db2.gz JXCRHIBCKCVUFH-MRXNPFEDSA-N 2 0 272.392 2.645 20 0 CFADRP Cc1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CO2 ZINC000574856060 384155601 /nfs/dbraw/zinc/15/56/01/384155601.db2.gz JXCRHIBCKCVUFH-INIZCTEOSA-N 2 0 272.392 2.645 20 0 CFADRP COC(=O)[C@H](c1ccccc1)N1CCC(c2ncc[nH]2)CC1 ZINC000266755731 384232531 /nfs/dbraw/zinc/23/25/31/384232531.db2.gz PBBYBLYXNLLSQH-HNNXBMFYSA-N 2 0 299.374 2.503 20 0 CFADRP CC[C@@](C)(C[NH+]1CCC([NH+]2CCCCC2)CC1)OC ZINC000637888340 384250408 /nfs/dbraw/zinc/25/04/08/384250408.db2.gz CNKMOPOSFAXBOQ-INIZCTEOSA-N 2 0 268.445 2.752 20 0 CFADRP COc1cncc(CN(C)C2CC[NH+](C(C)C)CC2)c1C ZINC000637889029 384252542 /nfs/dbraw/zinc/25/25/42/384252542.db2.gz MQSYPSRWDBPFJQ-UHFFFAOYSA-N 2 0 291.439 2.703 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@](C)(OC)C2CC2)CC1 ZINC000637956145 384307218 /nfs/dbraw/zinc/30/72/18/384307218.db2.gz RAPKEHRNXDKYHT-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[C@@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC000637957230 384307673 /nfs/dbraw/zinc/30/76/73/384307673.db2.gz DIEAXEHQHNVNJW-INIZCTEOSA-N 2 0 270.461 2.854 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](OC)[C@@H](C)CC)CC1 ZINC000637955644 384307868 /nfs/dbraw/zinc/30/78/68/384307868.db2.gz MFMSRMUYUHNHIK-HOCLYGCPSA-N 2 0 270.461 2.854 20 0 CFADRP CC[N@@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000267206143 384322541 /nfs/dbraw/zinc/32/25/41/384322541.db2.gz KMOMMGLDMMTBGQ-UHFFFAOYSA-N 2 0 255.365 2.767 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccncc1N)N(C)C ZINC000641749370 384315864 /nfs/dbraw/zinc/31/58/64/384315864.db2.gz HNDSXKFEIOATAV-KSSFIOAISA-N 2 0 298.434 2.753 20 0 CFADRP CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435382384 285101357 /nfs/dbraw/zinc/10/13/57/285101357.db2.gz ZLNCSOMWUIOJLI-KRWDZBQOSA-N 2 0 289.423 2.609 20 0 CFADRP CC[NH+](CC)CC[C@@H](CO)NCc1sccc1Cl ZINC000641773176 384338528 /nfs/dbraw/zinc/33/85/28/384338528.db2.gz VQVVWXGBKBBLLA-NSHDSACASA-N 2 0 290.860 2.584 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc2ccccc2c1 ZINC000267271089 384342145 /nfs/dbraw/zinc/34/21/45/384342145.db2.gz SJAUIRGJRVQGSF-DNVCBOLYSA-N 2 0 297.446 2.736 20 0 CFADRP CCc1nc(C)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000641798523 384365240 /nfs/dbraw/zinc/36/52/40/384365240.db2.gz NNKRTQHTNRVXLO-KGLIPLIRSA-N 2 0 277.412 2.509 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000641799807 384366848 /nfs/dbraw/zinc/36/68/48/384366848.db2.gz ZSRWACLCBHOXAS-SWLSCSKDSA-N 2 0 285.391 2.819 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)o1 ZINC000641799925 384367248 /nfs/dbraw/zinc/36/72/48/384367248.db2.gz SVTUXXINCLMUEF-SCRDCRAPSA-N 2 0 279.428 2.741 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000641799997 384367311 /nfs/dbraw/zinc/36/73/11/384367311.db2.gz VGHNOOGXFZZQQM-UHFFFAOYSA-N 2 0 277.412 2.511 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C[C@@H]1[NH3+] ZINC000641801139 384368877 /nfs/dbraw/zinc/36/88/77/384368877.db2.gz AKXSOGHJBFCKAA-UONOGXRCSA-N 2 0 273.355 2.589 20 0 CFADRP COc1cc(OC)c([C@@H](C)[NH2+]CCCC[NH3+])cc1Cl ZINC000423320225 533059193 /nfs/dbraw/zinc/05/91/93/533059193.db2.gz DGEMXIROWLBDDB-SNVBAGLBSA-N 2 0 286.803 2.747 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nccnc3c2)[C@@H](C)C1 ZINC000638113809 384426540 /nfs/dbraw/zinc/42/65/40/384426540.db2.gz DSYHBWJPNQXIAG-KSSFIOAISA-N 2 0 298.434 2.792 20 0 CFADRP CCC[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)OC ZINC000638109537 384421883 /nfs/dbraw/zinc/42/18/83/384421883.db2.gz GHVVUIQAROWXPX-SOUVJXGZSA-N 2 0 256.434 2.606 20 0 CFADRP CC(C)[C@@H](C)[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000267419287 384385238 /nfs/dbraw/zinc/38/52/38/384385238.db2.gz UCHVLSVDLNGGCI-CYBMUJFWSA-N 2 0 258.369 2.744 20 0 CFADRP CC[C@](C)(C[N@H+](C)CC[C@H]1CCCC[NH+]1C)OC ZINC000638116810 384428577 /nfs/dbraw/zinc/42/85/77/384428577.db2.gz GXEANFHKTOFVIZ-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3nccnc3c2)CCN1C ZINC000638118313 384430534 /nfs/dbraw/zinc/43/05/34/384430534.db2.gz XDTYXZAWRNKWCU-HIFRSBDPSA-N 2 0 284.407 2.544 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2ccnn2CC2CCC2)CC[N@@H+]1C ZINC000638117920 384432059 /nfs/dbraw/zinc/43/20/59/384432059.db2.gz UIBSSPVOSYHYCR-GOEBONIOSA-N 2 0 290.455 2.598 20 0 CFADRP CC[C@](C)(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000638120438 384433515 /nfs/dbraw/zinc/43/35/15/384433515.db2.gz DOWFDODGNMZJDC-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2)CCCO1 ZINC000277914968 384438767 /nfs/dbraw/zinc/43/87/67/384438767.db2.gz PPNCEEAKPLYSQG-CQSZACIVSA-N 2 0 296.842 2.931 20 0 CFADRP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CCC4)C[C@H]3C2)cc1 ZINC000348330055 220291317 /nfs/dbraw/zinc/29/13/17/220291317.db2.gz MOMGDRRJQQAYGY-HDICACEKSA-N 2 0 270.420 2.850 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2)CCCO1 ZINC000278027438 384462899 /nfs/dbraw/zinc/46/28/99/384462899.db2.gz WTRIUXAYGOUXGX-CQSZACIVSA-N 2 0 296.842 2.931 20 0 CFADRP C(C[C@@H]1CCO1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638177630 384471712 /nfs/dbraw/zinc/47/17/12/384471712.db2.gz DDRMJTHRXMQXRV-UAGQMJEPSA-N 2 0 278.440 2.504 20 0 CFADRP CC[C@](C)(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180268 384473892 /nfs/dbraw/zinc/47/38/92/384473892.db2.gz JVLIJKNSECFYMJ-DJIMGWMZSA-N 2 0 280.456 2.750 20 0 CFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000643009745 384475107 /nfs/dbraw/zinc/47/51/07/384475107.db2.gz GQPDHHVWELGSQT-GXFFZTMASA-N 2 0 289.354 2.556 20 0 CFADRP COc1cc(C)c([C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000638185976 384478362 /nfs/dbraw/zinc/47/83/62/384478362.db2.gz HHPPUQAULLUMOP-KKUMJFAQSA-N 2 0 274.408 2.524 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCC(C)C)cc1 ZINC000643056795 384488113 /nfs/dbraw/zinc/48/81/13/384488113.db2.gz KANIAPYUDIUSHZ-OAHLLOKOSA-N 2 0 264.413 2.715 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000643057180 384488503 /nfs/dbraw/zinc/48/85/03/384488503.db2.gz REUQCRHYCRIUOA-CZUORRHYSA-N 2 0 260.381 2.529 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCCc2ccc(C)nc2)C1 ZINC000354212305 220313072 /nfs/dbraw/zinc/31/30/72/220313072.db2.gz PVJQJBUBLUNTCN-QGZVFWFLSA-N 2 0 275.440 2.644 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000278314179 384524397 /nfs/dbraw/zinc/52/43/97/384524397.db2.gz BAQOELOPPGBZDP-UHFFFAOYSA-N 2 0 289.404 2.755 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNCc1cc(C2CC2)no1 ZINC000638303205 384543591 /nfs/dbraw/zinc/54/35/91/384543591.db2.gz OTVAQZGSKGJLGV-ZDUSSCGKSA-N 2 0 277.412 2.906 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC1CCSCC1 ZINC000638303763 384545808 /nfs/dbraw/zinc/54/58/08/384545808.db2.gz VCBIZNDYGMTWBE-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000643296075 384554666 /nfs/dbraw/zinc/55/46/66/384554666.db2.gz NUCFDFAZRMTUKE-UHFFFAOYSA-N 2 0 272.396 2.525 20 0 CFADRP Cc1ccnc(N(C)Cc2nccn2CC(F)(F)F)c1 ZINC000268278827 384589009 /nfs/dbraw/zinc/58/90/09/384589009.db2.gz AMIYYTGIGWVLJA-UHFFFAOYSA-N 2 0 284.285 2.785 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000638380397 384608589 /nfs/dbraw/zinc/60/85/89/384608589.db2.gz BUHGIRXROBUETH-BJWYYQGGSA-N 2 0 288.435 2.763 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638408809 384630826 /nfs/dbraw/zinc/63/08/26/384630826.db2.gz GBQIROIHULHJTB-HNNXBMFYSA-N 2 0 285.435 3.000 20 0 CFADRP CC[C@@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)OC ZINC000638367611 384592382 /nfs/dbraw/zinc/59/23/82/384592382.db2.gz XBCNYWNWAMIKJO-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP CCC[C@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)OC ZINC000638372785 384600003 /nfs/dbraw/zinc/60/00/03/384600003.db2.gz ZERVDDDSBJMFGN-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)C1CC[NH+](C)CC1 ZINC000643349296 384602042 /nfs/dbraw/zinc/60/20/42/384602042.db2.gz OEMHIHMXDGSIIU-UKRRQHHQSA-N 2 0 282.497 2.840 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000643498784 384662932 /nfs/dbraw/zinc/66/29/32/384662932.db2.gz VOSGCQCYYALESC-KBPBESRZSA-N 2 0 254.418 2.585 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000643499122 384663261 /nfs/dbraw/zinc/66/32/61/384663261.db2.gz VJGIMPRBOTZRQD-OAHLLOKOSA-N 2 0 250.361 2.792 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000643497870 384663395 /nfs/dbraw/zinc/66/33/95/384663395.db2.gz SUYHYFLHHVDYMZ-LLVKDONJSA-N 2 0 282.815 2.999 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C2 ZINC000643500939 384664655 /nfs/dbraw/zinc/66/46/55/384664655.db2.gz JLNATDOIGCKGJE-PBHICJAKSA-N 2 0 258.409 2.523 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373906993 285131004 /nfs/dbraw/zinc/13/10/04/285131004.db2.gz XIMQUJFPYXLMTA-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](Cc2ccccc2)OC)C1 ZINC000638450832 384668288 /nfs/dbraw/zinc/66/82/88/384668288.db2.gz IWVXAYDMFLCHGX-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000643503568 384673140 /nfs/dbraw/zinc/67/31/40/384673140.db2.gz BRVFVEIDDSGVAT-MFNRNEDNSA-N 2 0 273.424 2.967 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000643503461 384673151 /nfs/dbraw/zinc/67/31/51/384673151.db2.gz BGPZPQCKMYXOAU-WLYUNCDWSA-N 2 0 289.423 2.572 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000643503558 384673620 /nfs/dbraw/zinc/67/36/20/384673620.db2.gz AWIKIDFFOLHDBV-NRXISQOPSA-N 2 0 263.360 2.531 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)[C@H]1CCC[NH2+]C1 ZINC000643503426 384673834 /nfs/dbraw/zinc/67/38/34/384673834.db2.gz SNFWZMMPAQLCKS-MMPTUQATSA-N 2 0 280.362 2.930 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453525 384635148 /nfs/dbraw/zinc/63/51/48/384635148.db2.gz JUMDUUYKSOKRTB-SWLSCSKDSA-N 2 0 281.403 2.839 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453522 384635480 /nfs/dbraw/zinc/63/54/80/384635480.db2.gz IYZJNBPTRFYKJP-YJLNNSPDSA-N 2 0 280.415 2.874 20 0 CFADRP Cc1csc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000643460711 384642383 /nfs/dbraw/zinc/64/23/83/384642383.db2.gz JFDYIPOWXRTOKU-DZGCQCFKSA-N 2 0 289.448 2.542 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460379 384642947 /nfs/dbraw/zinc/64/29/47/384642947.db2.gz YGIWIFPYWLFRKP-MWQQHZPXSA-N 2 0 273.424 2.695 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@H]1CC1(F)F ZINC000638425980 384646021 /nfs/dbraw/zinc/64/60/21/384646021.db2.gz PRVYDSINGDTANJ-ZWNOBZJWSA-N 2 0 258.356 2.637 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1Cl ZINC000643467440 384648275 /nfs/dbraw/zinc/64/82/75/384648275.db2.gz FMMNKUZQTFIXIZ-UHIISALHSA-N 2 0 270.804 2.743 20 0 CFADRP CC[C@@H](NCC[NH2+]C1CC1)c1cc(C)ccc1OC ZINC000643507309 384675514 /nfs/dbraw/zinc/67/55/14/384675514.db2.gz YNHDJERAUHIYJF-OAHLLOKOSA-N 2 0 262.397 2.796 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469236 384650576 /nfs/dbraw/zinc/65/05/76/384650576.db2.gz BOUBYEAFZFNLAC-LSDHHAIUSA-N 2 0 299.422 2.990 20 0 CFADRP Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000643472249 384651985 /nfs/dbraw/zinc/65/19/85/384651985.db2.gz KZNVPODVVYFBMR-OWCLPIDISA-N 2 0 262.397 2.988 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643474468 384652100 /nfs/dbraw/zinc/65/21/00/384652100.db2.gz SPJFHNFWXSTSIK-BPQTVZERSA-N 2 0 296.414 2.885 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643474108 384652927 /nfs/dbraw/zinc/65/29/27/384652927.db2.gz AFCFLZXKDJRSBS-CUQMJCILSA-N 2 0 280.456 2.580 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268732963 384653362 /nfs/dbraw/zinc/65/33/62/384653362.db2.gz MSLGNFLFDBRWID-YQQAZPJKSA-N 2 0 276.424 2.522 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643478097 384654171 /nfs/dbraw/zinc/65/41/71/384654171.db2.gz ZHQWINDEJIIYDE-QGTPRVQTSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000643477979 384654211 /nfs/dbraw/zinc/65/42/11/384654211.db2.gz KLJMHZYAKOGUQU-JKIFEVAISA-N 2 0 258.409 2.522 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643477965 384654599 /nfs/dbraw/zinc/65/45/99/384654599.db2.gz IYOAIOHBLMYHKB-JLSDUUJJSA-N 2 0 272.436 2.899 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643479689 384656139 /nfs/dbraw/zinc/65/61/39/384656139.db2.gz KBXOLNVXKUJUQP-YPMHNXCESA-N 2 0 265.426 2.561 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)s1 ZINC000643545511 384724390 /nfs/dbraw/zinc/72/43/90/384724390.db2.gz PAWCUBXUAQWIOL-JTQLQIEISA-N 2 0 265.426 2.720 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CCC[NH2+]C1CC1 ZINC000643545037 384724428 /nfs/dbraw/zinc/72/44/28/384724428.db2.gz VSKPRBXWYOQIJI-GFCCVEGCSA-N 2 0 252.427 2.801 20 0 CFADRP Cc1ncc([C@@H](C)NC[C@H]([NH3+])c2ccccc2)s1 ZINC000643508948 384680124 /nfs/dbraw/zinc/68/01/24/384680124.db2.gz VNGCHEKFZGRIBY-MFKMUULPSA-N 2 0 261.394 2.802 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000643510400 384682427 /nfs/dbraw/zinc/68/24/27/384682427.db2.gz KGJICQMUAQYHIR-STQMWFEESA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000643510399 384683111 /nfs/dbraw/zinc/68/31/11/384683111.db2.gz KGJICQMUAQYHIR-QWHCGFSZSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643513873 384684496 /nfs/dbraw/zinc/68/44/96/384684496.db2.gz FCWUGHUQDNGDRL-KGLIPLIRSA-N 3 0 275.440 2.526 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643521390 384687481 /nfs/dbraw/zinc/68/74/81/384687481.db2.gz DACOXRVLQLHUTG-UONOGXRCSA-N 2 0 262.397 2.796 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643521722 384687659 /nfs/dbraw/zinc/68/76/59/384687659.db2.gz ZQMRRYLRWCIWRJ-RHSMWYFYSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1N(C)C ZINC000643522460 384688286 /nfs/dbraw/zinc/68/82/86/384688286.db2.gz NKGRFXKFOZCDEH-KGLIPLIRSA-N 2 0 261.413 2.545 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522118 384688908 /nfs/dbraw/zinc/68/89/08/384688908.db2.gz ICCBDGRYVGQWBP-ZBFHGGJFSA-N 2 0 274.408 2.940 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643524058 384690902 /nfs/dbraw/zinc/69/09/02/384690902.db2.gz DYBQLSYVOWFAAN-CFVMTHIKSA-N 2 0 276.428 2.919 20 0 CFADRP C1CCC(OC2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000643523268 384691144 /nfs/dbraw/zinc/69/11/44/384691144.db2.gz YXQSZCAWCSCLBY-UQPPLGOBSA-N 2 0 280.456 2.989 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522869 384691387 /nfs/dbraw/zinc/69/13/87/384691387.db2.gz UCVBHIVXBNSMQV-BBRMVZONSA-N 2 0 290.407 2.641 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000643523153 384691400 /nfs/dbraw/zinc/69/14/00/384691400.db2.gz ZFOZMLCKMVTXDB-UONOGXRCSA-N 2 0 262.397 2.796 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000643523052 384692073 /nfs/dbraw/zinc/69/20/73/384692073.db2.gz VXLCLXVXCMEJMI-DZGCQCFKSA-N 2 0 276.428 2.791 20 0 CFADRP C[C@@H](NC[C@H](C)[NH3+])c1ccc(Br)s1 ZINC000643525746 384693908 /nfs/dbraw/zinc/69/39/08/384693908.db2.gz DBWYMOCZURAEBC-NKWVEPMBSA-N 2 0 263.204 2.508 20 0 CFADRP C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643525375 384694021 /nfs/dbraw/zinc/69/40/21/384694021.db2.gz BISVKIYXQWSAPQ-RRQGHBQHSA-N 2 0 258.409 2.664 20 0 CFADRP CC[C@@H](NC[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643525688 384694431 /nfs/dbraw/zinc/69/44/31/384694431.db2.gz AXEPIHVAOWPCAK-JOYOIKCWSA-N 2 0 271.202 2.837 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000643526783 384697142 /nfs/dbraw/zinc/69/71/42/384697142.db2.gz GJHUEDATXJZYBR-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](C)[NH3+] ZINC000643527627 384699154 /nfs/dbraw/zinc/69/91/54/384699154.db2.gz PMTYTZXDEUTCSV-JSGCOSHPSA-N 2 0 252.427 2.740 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c2ccccc12 ZINC000643528595 384701185 /nfs/dbraw/zinc/70/11/85/384701185.db2.gz LSAKVANJDUVNES-NEPJUHHUSA-N 2 0 258.365 2.846 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000643528413 384702070 /nfs/dbraw/zinc/70/20/70/384702070.db2.gz IZTUAOBIYXINEM-MNOVXSKESA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000643529005 384704496 /nfs/dbraw/zinc/70/44/96/384704496.db2.gz SMJLSESSKSOLLX-LEWSCRJBSA-N 2 0 252.789 2.913 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643534400 384705566 /nfs/dbraw/zinc/70/55/66/384705566.db2.gz TYKFYKVEVCTCON-DLBZAZTESA-N 2 0 286.419 2.804 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534328 384705658 /nfs/dbraw/zinc/70/56/58/384705658.db2.gz QWVZTORTZNQESV-CVEARBPZSA-N 2 0 256.393 2.796 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000643534255 384705838 /nfs/dbraw/zinc/70/58/38/384705838.db2.gz PBPZZCOPLWYKIJ-CMPLNLGQSA-N 2 0 265.426 2.553 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000643534426 384705972 /nfs/dbraw/zinc/70/59/72/384705972.db2.gz UXUHVTJTLJUGCO-QMTHXVAHSA-N 2 0 266.335 2.758 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000643533784 384706127 /nfs/dbraw/zinc/70/61/27/384706127.db2.gz DWVKNWGPEZTWAX-HZPDHXFCSA-N 2 0 274.408 2.878 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534637 384707125 /nfs/dbraw/zinc/70/71/25/384707125.db2.gz ZEJXRPKMLNLHBG-XJKSGUPXSA-N 2 0 274.408 2.796 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1F ZINC000643534718 384707379 /nfs/dbraw/zinc/70/73/79/384707379.db2.gz AWCCZYMOUWGDOF-IAQYHMDHSA-N 2 0 278.371 2.627 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534775 384707415 /nfs/dbraw/zinc/70/74/15/384707415.db2.gz CKPDPWNEHISTSI-HZPDHXFCSA-N 2 0 274.383 2.935 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534677 384707543 /nfs/dbraw/zinc/70/75/43/384707543.db2.gz ZZZUDNZBWCRQKZ-BBRMVZONSA-N 2 0 274.408 2.796 20 0 CFADRP COC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000643535822 384709205 /nfs/dbraw/zinc/70/92/05/384709205.db2.gz JSXXMJXZCFUSPL-HUUCEWRRSA-N 2 0 294.826 2.759 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535779 384709263 /nfs/dbraw/zinc/70/92/63/384709263.db2.gz JENGECBXHYJVBH-XGUBFFRZSA-N 2 0 250.430 2.933 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C12CCCCC2 ZINC000643535254 384709769 /nfs/dbraw/zinc/70/97/69/384709769.db2.gz LCGMGYVZLDXIBQ-ARFHVFGLSA-N 2 0 292.467 2.846 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535778 384709842 /nfs/dbraw/zinc/70/98/42/384709842.db2.gz JENGECBXHYJVBH-LJISPDSOSA-N 2 0 250.430 2.933 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536454 384710947 /nfs/dbraw/zinc/71/09/47/384710947.db2.gz RCNCCNOYANWTSO-ZBFHGGJFSA-N 2 0 272.392 2.501 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536491 384710976 /nfs/dbraw/zinc/71/09/76/384710976.db2.gz UJHSEIHCXDCKBX-LSDHHAIUSA-N 2 0 278.346 2.684 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643536277 384711676 /nfs/dbraw/zinc/71/16/76/384711676.db2.gz SIJGHSAVIQFITB-HUUCEWRRSA-N 2 0 277.387 2.650 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643537048 384713600 /nfs/dbraw/zinc/71/36/00/384713600.db2.gz YLEOXSLXSLDCLV-GOEBONIOSA-N 2 0 290.382 2.771 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000643543785 384721494 /nfs/dbraw/zinc/72/14/94/384721494.db2.gz VTKOCWSGZDHVES-YJBOKZPZSA-N 3 0 289.467 2.787 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643542709 384722238 /nfs/dbraw/zinc/72/22/38/384722238.db2.gz GSGMJFUKVOZZCB-GZBFAFLISA-N 2 0 276.428 2.776 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]CCC[C@@H]1CCO1)C(C)(C)C ZINC000638605324 384777380 /nfs/dbraw/zinc/77/73/80/384777380.db2.gz PUZQDBSNXMIJNE-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CS1 ZINC000638606535 384778554 /nfs/dbraw/zinc/77/85/54/384778554.db2.gz ZKXMWOUNMBWUQA-JHJVBQTASA-N 2 0 258.475 2.836 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638562741 384742300 /nfs/dbraw/zinc/74/23/00/384742300.db2.gz BGTNHMXYDDCAAD-TZMCWYRMSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@](C)(CC)OC)CC1 ZINC000638564795 384744072 /nfs/dbraw/zinc/74/40/72/384744072.db2.gz GWAKGFZJXBJUPR-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H](OC)C2CCCCC2)CC1 ZINC000638565520 384744269 /nfs/dbraw/zinc/74/42/69/384744269.db2.gz OGKKPKLLHKDGRZ-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000638566665 384745636 /nfs/dbraw/zinc/74/56/36/384745636.db2.gz CCMABZBCEHHTAW-MRXNPFEDSA-N 2 0 272.436 2.723 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000638566458 384746585 /nfs/dbraw/zinc/74/65/85/384746585.db2.gz JRONSIUQCRVVEI-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(CC[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000638566963 384748840 /nfs/dbraw/zinc/74/88/40/384748840.db2.gz UKBAJYPUAIJIMC-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000638587879 384760591 /nfs/dbraw/zinc/76/05/91/384760591.db2.gz IEWQCGBYNNSHQN-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000638587086 384761588 /nfs/dbraw/zinc/76/15/88/384761588.db2.gz AKSYLUQLDCODDN-JKSUJKDBSA-N 2 0 272.436 2.723 20 0 CFADRP Cc1ccncc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000279797290 384766948 /nfs/dbraw/zinc/76/69/48/384766948.db2.gz DKQRJSMUIZPQOH-UHFFFAOYSA-N 2 0 275.440 2.992 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000638692609 384837806 /nfs/dbraw/zinc/83/78/06/384837806.db2.gz JTEPYZYIFZIXLZ-WCQYABFASA-N 2 0 260.372 2.742 20 0 CFADRP COc1cccc(OC)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000643886769 384783075 /nfs/dbraw/zinc/78/30/75/384783075.db2.gz QKYJBRGIRUGIAV-ZIAGYGMSSA-N 2 0 292.423 2.618 20 0 CFADRP COc1cccc(OC)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000643886766 384783118 /nfs/dbraw/zinc/78/31/18/384783118.db2.gz QKYJBRGIRUGIAV-KBPBESRZSA-N 2 0 292.423 2.618 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000638633491 384797544 /nfs/dbraw/zinc/79/75/44/384797544.db2.gz ANVIQCKFDRRGJT-SMDDNHRTSA-N 2 0 282.428 2.871 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)sn1 ZINC000638634895 384798530 /nfs/dbraw/zinc/79/85/30/384798530.db2.gz QBIGMVJQWGLJLV-UHFFFAOYSA-N 2 0 293.411 2.942 20 0 CFADRP C[C@H](CNc1cc[nH+]c2c(O)cccc12)C[NH+](C)C ZINC000644133819 384870192 /nfs/dbraw/zinc/87/01/92/384870192.db2.gz UPWJZZVEXJSEIR-LLVKDONJSA-N 2 0 259.353 2.550 20 0 CFADRP C[NH+]1CCC(N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269808746 384872619 /nfs/dbraw/zinc/87/26/19/384872619.db2.gz GFRVIDRWNCPEDQ-CQSZACIVSA-N 2 0 266.335 2.636 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](OC)C2CCCC2)CC1 ZINC000638692622 384838959 /nfs/dbraw/zinc/83/89/59/384838959.db2.gz KAFOFDVGVBOZDD-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@](C)(CC)OC)CC1 ZINC000638692833 384840542 /nfs/dbraw/zinc/84/05/42/384840542.db2.gz MUNBRXQNPOIDQX-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C1CCCC1 ZINC000423416707 533092322 /nfs/dbraw/zinc/09/23/22/533092322.db2.gz DEXARRWEYTXDEY-DZKIICNBSA-N 2 0 268.445 2.546 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820039 384952756 /nfs/dbraw/zinc/95/27/56/384952756.db2.gz PDZZXPDYMURELB-INIZCTEOSA-N 2 0 297.487 2.619 20 0 CFADRP CC1CCC(O)(C[NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000644606541 384953925 /nfs/dbraw/zinc/95/39/25/384953925.db2.gz OJIUNKUFILHEJT-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638773542 384910167 /nfs/dbraw/zinc/91/01/67/384910167.db2.gz BXIQHDPPKRDJFE-GJYPPUQNSA-N 2 0 299.462 2.585 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000644522261 384915900 /nfs/dbraw/zinc/91/59/00/384915900.db2.gz HDRJXJSNSZCURY-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCCCO ZINC000280178255 384916885 /nfs/dbraw/zinc/91/68/85/384916885.db2.gz UDMOQYYZQQJJKW-UHFFFAOYSA-N 2 0 292.467 2.897 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269956415 384919283 /nfs/dbraw/zinc/91/92/83/384919283.db2.gz KIIHLOHNIBQAMZ-MSOLQXFVSA-N 2 0 295.430 2.994 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CS1 ZINC000638851402 384986513 /nfs/dbraw/zinc/98/65/13/384986513.db2.gz KFBJJZJTJFSYEI-DOMZBBRYSA-N 2 0 264.438 2.732 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000638862729 384993673 /nfs/dbraw/zinc/99/36/73/384993673.db2.gz HOQJEBSEDSQNRH-GFCCVEGCSA-N 2 0 253.390 2.583 20 0 CFADRP CC(C)O[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000644690523 385002914 /nfs/dbraw/zinc/00/29/14/385002914.db2.gz UDOOWGBBICDBEV-FGTMMUONSA-N 2 0 288.435 2.646 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969373 385061791 /nfs/dbraw/zinc/06/17/91/385061791.db2.gz GONNDFPLONBIRD-UXLLHSPISA-N 2 0 280.456 2.798 20 0 CFADRP Cc1scc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c1C ZINC000638918477 385030156 /nfs/dbraw/zinc/03/01/56/385030156.db2.gz RCGRRDALXVMDMT-UKRRQHHQSA-N 2 0 264.438 2.891 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@@H]1C ZINC000639044983 385120130 /nfs/dbraw/zinc/12/01/30/385120130.db2.gz RYZGVZVUKGZAIB-IJEWVQPXSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(CO)c1 ZINC000270526839 385133620 /nfs/dbraw/zinc/13/36/20/385133620.db2.gz SZROLRCAUYNRLG-JQFCIGGWSA-N 2 0 276.424 2.702 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000644843056 385100333 /nfs/dbraw/zinc/10/03/33/385100333.db2.gz KIQODPGNYSAVQO-YJBOKZPZSA-N 2 0 286.419 2.580 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000270613307 385164786 /nfs/dbraw/zinc/16/47/86/385164786.db2.gz IJRNEMJSLWAWFD-XHHISWJOSA-N 2 0 290.451 2.817 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000270613305 385165412 /nfs/dbraw/zinc/16/54/12/385165412.db2.gz IJRNEMJSLWAWFD-GRLWTPEZSA-N 2 0 290.451 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2cccs2)[C@H](C)C1 ZINC000270636664 385172672 /nfs/dbraw/zinc/17/26/72/385172672.db2.gz NLWKCXATKRRYOF-KBXIAJHMSA-N 2 0 296.480 2.880 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639117106 385214584 /nfs/dbraw/zinc/21/45/84/385214584.db2.gz CSZOEASCCTVCFW-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CC1(F)F ZINC000639125656 385224920 /nfs/dbraw/zinc/22/49/20/385224920.db2.gz YVTWSYUMKJQITR-XVSSEFHLSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000282154278 385230132 /nfs/dbraw/zinc/23/01/32/385230132.db2.gz CXMGGLOLKMKZHG-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000639109401 385204285 /nfs/dbraw/zinc/20/42/85/385204285.db2.gz ZEACMSYJWCNSOG-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000282475511 385320583 /nfs/dbraw/zinc/32/05/83/385320583.db2.gz PSBOFOAQVNBXTD-NJAFHUGGSA-N 2 0 290.451 2.657 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CC1CCSCC1 ZINC000639174799 385280168 /nfs/dbraw/zinc/28/01/68/385280168.db2.gz GWKXSWIOLSCCRY-UHFFFAOYSA-N 2 0 258.475 2.793 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000639177136 385284775 /nfs/dbraw/zinc/28/47/75/385284775.db2.gz PRRMVKXZIJXWPP-HNNXBMFYSA-N 2 0 299.418 2.992 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)OC ZINC000639176646 385285360 /nfs/dbraw/zinc/28/53/60/385285360.db2.gz IRIVJVFNYYVKDE-UAGQMJEPSA-N 2 0 282.472 2.711 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000282386819 385299559 /nfs/dbraw/zinc/29/95/59/385299559.db2.gz QXGRRQSLZZRQAB-CZUORRHYSA-N 2 0 271.408 2.783 20 0 CFADRP COCC[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000045037286 285162406 /nfs/dbraw/zinc/16/24/06/285162406.db2.gz AGIDMKRECQRIBR-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP C(CC[NH2+]CC1CCSCC1)CC[NH+]1CCCC1 ZINC000639209823 385332974 /nfs/dbraw/zinc/33/29/74/385332974.db2.gz FBAWLBDHVLXPID-UHFFFAOYSA-N 2 0 270.486 2.985 20 0 CFADRP CC[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639222764 385348915 /nfs/dbraw/zinc/34/89/15/385348915.db2.gz NPBFLOWUTAGIFC-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)(CN1CCCC1)[NH2+]CC1CCSCC1 ZINC000639243041 385373381 /nfs/dbraw/zinc/37/33/81/385373381.db2.gz SUCIULXMOBDTBM-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C3CCC3)CCC2)CC1 ZINC000639244090 385375135 /nfs/dbraw/zinc/37/51/35/385375135.db2.gz GHNYZNXGKFJKCL-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP C[N@H+](CCCC[NH2+]CC1CCSCC1)C1CC1 ZINC000639245611 385375968 /nfs/dbraw/zinc/37/59/68/385375968.db2.gz ZAOUVMZUHFSOOC-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CO[C@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000639257159 385386503 /nfs/dbraw/zinc/38/65/03/385386503.db2.gz JRDWMPXSORMNOD-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000271919161 385400372 /nfs/dbraw/zinc/40/03/72/385400372.db2.gz ZOGJZQYLHCJYOI-GOSISDBHSA-N 2 0 270.420 2.859 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000639282901 385410226 /nfs/dbraw/zinc/41/02/26/385410226.db2.gz MVGUAHQLCHTJCR-UYSNPLJNSA-N 2 0 294.483 2.638 20 0 CFADRP CCCN1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639328230 385455147 /nfs/dbraw/zinc/45/51/47/385455147.db2.gz BLHYCSPPUUINCO-SJORKVTESA-N 2 0 287.451 2.587 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187180 385469457 /nfs/dbraw/zinc/46/94/57/385469457.db2.gz JPLJOCTYVHEZMW-XYJFISCASA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C2CCCCC2)CS1 ZINC000639345434 385469783 /nfs/dbraw/zinc/46/97/83/385469783.db2.gz LMXBRAJQGXZXGU-UMVBOHGHSA-N 2 0 268.470 2.877 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2nc3ccccc3o2)C1 ZINC000639346222 385469799 /nfs/dbraw/zinc/46/97/99/385469799.db2.gz FEFRCXHQJBXELJ-CYBMUJFWSA-N 2 0 273.380 2.649 20 0 CFADRP Cn1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc2ccccc21 ZINC000639348738 385472266 /nfs/dbraw/zinc/47/22/66/385472266.db2.gz ZJOYXPXWSVNFHV-HNNXBMFYSA-N 2 0 285.435 3.000 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)[C@@H]1CC1(F)F ZINC000639351909 385474779 /nfs/dbraw/zinc/47/47/79/385474779.db2.gz LTZWNDJZWJOXDR-DRZSPHRISA-N 2 0 258.356 2.637 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)C1CCCC1 ZINC000639353706 385476458 /nfs/dbraw/zinc/47/64/58/385476458.db2.gz YZYOFGZKRMLESF-DLBZAZTESA-N 2 0 280.456 2.798 20 0 CFADRP COCC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000639337766 385463084 /nfs/dbraw/zinc/46/30/84/385463084.db2.gz PBTSZXWIYIUYSE-INIZCTEOSA-N 2 0 280.456 2.515 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000639338751 385463461 /nfs/dbraw/zinc/46/34/61/385463461.db2.gz VPWMJVKVNYPHIV-GTPINHCMSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000639374096 385491219 /nfs/dbraw/zinc/49/12/19/385491219.db2.gz ALUGGVHQJPEOQN-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CCC(C)(C)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639381256 385497678 /nfs/dbraw/zinc/49/76/78/385497678.db2.gz MQJGMXJQNHOBSF-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000337419471 285178363 /nfs/dbraw/zinc/17/83/63/285178363.db2.gz FDXQWMXKLAHFRT-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CCCC[C@@H]1O ZINC000272447798 385539024 /nfs/dbraw/zinc/53/90/24/385539024.db2.gz BXOLWDKRSPLIKV-AEFFLSMTSA-N 2 0 299.418 2.855 20 0 CFADRP CCOCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487263 385550028 /nfs/dbraw/zinc/55/00/28/385550028.db2.gz MRSHVAURJUTYLP-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423318390 533130718 /nfs/dbraw/zinc/13/07/18/533130718.db2.gz KYJYHCGFXXSDEH-LJQANCHMSA-N 2 0 296.414 2.788 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000639544397 385578420 /nfs/dbraw/zinc/57/84/20/385578420.db2.gz XNMMDHGPHCQLPB-PVAVHDDUSA-N 2 0 292.467 2.750 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000639544399 385578478 /nfs/dbraw/zinc/57/84/78/385578478.db2.gz XNMMDHGPHCQLPB-XIRDDKMYSA-N 2 0 292.467 2.750 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579924 385592907 /nfs/dbraw/zinc/59/29/07/385592907.db2.gz MHZQFWUGSKQXCM-FZKCQIBNSA-N 2 0 280.456 2.654 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000122388226 413006430 /nfs/dbraw/zinc/00/64/30/413006430.db2.gz QUUGVYHVBFERSV-ZBFHGGJFSA-N 2 0 262.397 2.645 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288720597 197151303 /nfs/dbraw/zinc/15/13/03/197151303.db2.gz ZXEGTOUPOQKMDY-CQSZACIVSA-N 2 0 279.428 2.548 20 0 CFADRP O[C@H](CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000286564215 385650530 /nfs/dbraw/zinc/65/05/30/385650530.db2.gz VNLWKXSPUHFUCE-SJLPKXTDSA-N 2 0 288.435 2.528 20 0 CFADRP C[C@H](CC[NH2+]CC1(C)COC1)[N@H+](C)Cc1ccccc1 ZINC000286759312 385704787 /nfs/dbraw/zinc/70/47/87/385704787.db2.gz ZGEOOEDQQBVRHU-OAHLLOKOSA-N 2 0 276.424 2.523 20 0 CFADRP CC[C@H]1C[N@H+](CCSc2ccccc2)CC[C@@H]1[NH3+] ZINC000122890214 413008930 /nfs/dbraw/zinc/00/89/30/413008930.db2.gz SMUMRLGWVSQNEP-ZFWWWQNUSA-N 2 0 264.438 2.838 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000274314358 385763747 /nfs/dbraw/zinc/76/37/47/385763747.db2.gz RIHAUDQQIIZQGM-UHFFFAOYSA-N 2 0 264.800 3.000 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000274342429 385771365 /nfs/dbraw/zinc/77/13/65/385771365.db2.gz ISDVFOJMBBAVLR-AWEZNQCLSA-N 2 0 274.408 2.565 20 0 CFADRP Cc1ccc2c(c1)nc(CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)n2C ZINC000274449927 385801697 /nfs/dbraw/zinc/80/16/97/385801697.db2.gz SGBSVHZWTBTFFK-HUUCEWRRSA-N 2 0 298.434 2.598 20 0 CFADRP Fc1cncc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000275122384 385940952 /nfs/dbraw/zinc/94/09/52/385940952.db2.gz JOZFVQCRBMNIMO-CQSZACIVSA-N 2 0 277.387 2.529 20 0 CFADRP Cc1[nH+]c2c(n1[C@@H]1CCN(Cc3ccon3)C1)CCCC2 ZINC000275237624 385963951 /nfs/dbraw/zinc/96/39/51/385963951.db2.gz FELPBVUDZNCOGO-CQSZACIVSA-N 2 0 286.379 2.505 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422966581 285219518 /nfs/dbraw/zinc/21/95/18/285219518.db2.gz NTPHLQWTFDMRQW-IXDOHACOSA-N 2 0 276.424 2.666 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000423259761 533168140 /nfs/dbraw/zinc/16/81/40/533168140.db2.gz OTYAKOUYJAORSP-UONOGXRCSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423322620 533176361 /nfs/dbraw/zinc/17/63/61/533176361.db2.gz NYIXENGOGNGOQV-WQGACYEGSA-N 2 0 262.397 2.514 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000125109982 413015045 /nfs/dbraw/zinc/01/50/45/413015045.db2.gz DVWMBNFWAYEWCA-BBWFWOEESA-N 2 0 292.467 2.798 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000246974734 285234898 /nfs/dbraw/zinc/23/48/98/285234898.db2.gz JIEMOAVFLMCZBR-HLLBOEOZSA-N 2 0 282.472 2.759 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000247046598 285234952 /nfs/dbraw/zinc/23/49/52/285234952.db2.gz NBAMCDMUXYHRNE-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000124591252 413015275 /nfs/dbraw/zinc/01/52/75/413015275.db2.gz VKTCLHQKQGLVDA-PWSUYJOCSA-N 2 0 270.323 2.600 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093452915 184677051 /nfs/dbraw/zinc/67/70/51/184677051.db2.gz OJUXTIHSCZHYQY-ZACQAIPSSA-N 2 0 274.408 2.576 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)C1 ZINC000281331371 195200953 /nfs/dbraw/zinc/20/09/53/195200953.db2.gz UAIXVRYIVXPFKA-BLLLJJGKSA-N 2 0 292.398 2.753 20 0 CFADRP COCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000422891527 533210295 /nfs/dbraw/zinc/21/02/95/533210295.db2.gz VOIJZNYPZRJQGA-WBVHZDCISA-N 2 0 290.451 2.741 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000423282506 533221608 /nfs/dbraw/zinc/22/16/08/533221608.db2.gz VGCGUSSNDDPPPD-MISXGVKJSA-N 2 0 297.830 2.912 20 0 CFADRP COc1ncc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1Cl ZINC000423238505 533222475 /nfs/dbraw/zinc/22/24/75/533222475.db2.gz VHCXGXLVDOOBMD-GCVQQVDUSA-N 2 0 283.803 2.664 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCc2ccccc2)[C@@H](C)C1 ZINC000682078481 542518948 /nfs/dbraw/zinc/51/89/48/542518948.db2.gz YVNFQGIMBQUZIR-FUHWJXTLSA-N 2 0 290.451 2.865 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000682143382 542525803 /nfs/dbraw/zinc/52/58/03/542525803.db2.gz FMAOLXKFBFBQPV-QGZVFWFLSA-N 2 0 282.472 2.782 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000109553768 542554011 /nfs/dbraw/zinc/55/40/11/542554011.db2.gz FUHHEVIFGAXCJY-ZDUSSCGKSA-N 2 0 292.423 2.524 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000173748699 285341154 /nfs/dbraw/zinc/34/11/54/285341154.db2.gz DTOGVXHHSFYXOM-JYJNAYRXSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000020200346 542575655 /nfs/dbraw/zinc/57/56/55/542575655.db2.gz ZFUOZRNQWMAXES-INIZCTEOSA-N 2 0 289.467 2.672 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(C)(C)OC)C[C@@H]1C ZINC000336784559 285369642 /nfs/dbraw/zinc/36/96/42/285369642.db2.gz ROFMDLZIPWPSFK-UONOGXRCSA-N 2 0 256.434 2.606 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459739570 285381820 /nfs/dbraw/zinc/38/18/20/285381820.db2.gz SXBVCDIKLOXGBE-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423548433 285393362 /nfs/dbraw/zinc/39/33/62/285393362.db2.gz REGDRDKSLPPZCQ-CFAJVAMVSA-N 2 0 286.419 2.747 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423548436 285393425 /nfs/dbraw/zinc/39/34/25/285393425.db2.gz REGDRDKSLPPZCQ-ZJOBFFGXSA-N 2 0 286.419 2.747 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423284971 533313236 /nfs/dbraw/zinc/31/32/36/533313236.db2.gz ZCCYPYLBXMEEIZ-WFASDCNBSA-N 2 0 292.398 2.801 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000414218655 533316519 /nfs/dbraw/zinc/31/65/19/533316519.db2.gz GFURZKKEKXJPII-MSOLQXFVSA-N 2 0 288.435 2.761 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423332111 533354717 /nfs/dbraw/zinc/35/47/17/533354717.db2.gz OXDJHLKATADCBD-GFCCVEGCSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000423333198 533365121 /nfs/dbraw/zinc/36/51/21/533365121.db2.gz DWEYFFAENBZEHQ-SNVBAGLBSA-N 2 0 252.308 2.535 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422944704 533366146 /nfs/dbraw/zinc/36/61/46/533366146.db2.gz LZMCZKNCYHTVKO-CZUORRHYSA-N 2 0 276.424 2.703 20 0 CFADRP C[C@@H]([NH2+]CCCCOCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422719607 533377894 /nfs/dbraw/zinc/37/78/94/533377894.db2.gz LYNYAXMZOKICJC-AEFFLSMTSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cnccc1N ZINC000422886598 533378277 /nfs/dbraw/zinc/37/82/77/533378277.db2.gz XEBRLBUZMQWGCU-HUUCEWRRSA-N 2 0 290.455 2.799 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423179411 533379166 /nfs/dbraw/zinc/37/91/66/533379166.db2.gz DCHOHGGEEMBEKZ-CYBMUJFWSA-N 2 0 255.365 2.748 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422781727 533384131 /nfs/dbraw/zinc/38/41/31/533384131.db2.gz IYXUUSSUCLCPJP-JKSUJKDBSA-N 2 0 276.424 2.796 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422793689 533384663 /nfs/dbraw/zinc/38/46/63/533384663.db2.gz XMVXSARVQWHZHC-GOEBONIOSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC000422765262 533443696 /nfs/dbraw/zinc/44/36/96/533443696.db2.gz KSTUMIWMNZQJRB-KDOFPFPSSA-N 2 0 281.403 2.836 20 0 CFADRP C[C@@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422739939 533445166 /nfs/dbraw/zinc/44/51/66/533445166.db2.gz AUGGVKMSAJASQC-DYVFJYSZSA-N 2 0 293.430 2.508 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000423230099 533400692 /nfs/dbraw/zinc/40/06/92/533400692.db2.gz IPCHKVPXOUQQFQ-LMPOIIKSSA-N 2 0 296.455 2.748 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@H]1CCCC[NH2+]1 ZINC000422768358 533403705 /nfs/dbraw/zinc/40/37/05/533403705.db2.gz ULDHXVJKPBNRJP-MLGOLLRUSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423298842 533408405 /nfs/dbraw/zinc/40/84/05/533408405.db2.gz OXTZLFLZYJHCLH-VHSXEESVSA-N 2 0 276.302 2.831 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@H]1CCC[NH2+]1 ZINC000422784677 533408421 /nfs/dbraw/zinc/40/84/21/533408421.db2.gz QCWKUAUMGUKVPB-OUCADQQQSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423297388 533408476 /nfs/dbraw/zinc/40/84/76/533408476.db2.gz KBJIQACCSSSWOV-VHSXEESVSA-N 2 0 258.312 2.533 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422735957 533409081 /nfs/dbraw/zinc/40/90/81/533409081.db2.gz FQEORINNARBTKR-JMSVASOKSA-N 2 0 250.361 2.659 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423241631 533409885 /nfs/dbraw/zinc/40/98/85/533409885.db2.gz DMSJSCHJRVUDHC-KGLIPLIRSA-N 2 0 262.397 2.654 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423172799 533411340 /nfs/dbraw/zinc/41/13/40/533411340.db2.gz VIJNRKROQIOSPX-RWMBFGLXSA-N 2 0 250.386 2.780 20 0 CFADRP COc1c(Cl)cc(Cl)cc1C[NH2+]CCCC[NH3+] ZINC000414911076 533423569 /nfs/dbraw/zinc/42/35/69/533423569.db2.gz SNAHTRJYIMMSMI-UHFFFAOYSA-N 2 0 277.195 2.831 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423343721 533425098 /nfs/dbraw/zinc/42/50/98/533425098.db2.gz XDEQHFLSSFWSGC-QAPCUYQASA-N 2 0 298.434 2.913 20 0 CFADRP COc1cccc(CCC[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422937879 533457475 /nfs/dbraw/zinc/45/74/75/533457475.db2.gz DAWUMLZMDOJVJN-CQSZACIVSA-N 2 0 264.413 2.735 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])c(Cl)c1 ZINC000422889771 533497523 /nfs/dbraw/zinc/49/75/23/533497523.db2.gz QPMXIRJVBCIPNL-NSHDSACASA-N 2 0 270.804 2.608 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000422888835 533499061 /nfs/dbraw/zinc/49/90/61/533499061.db2.gz OEHNUJVUQNKHOX-CZUORRHYSA-N 2 0 296.842 2.998 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C1C[NH2+]C1 ZINC000422809553 533503336 /nfs/dbraw/zinc/50/33/36/533503336.db2.gz SBWUWBSTYXHTSM-VHSXEESVSA-N 2 0 270.323 2.547 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414832696 533506768 /nfs/dbraw/zinc/50/67/68/533506768.db2.gz OPCBCMJHQPLFOB-ZBFHGGJFSA-N 2 0 276.424 2.606 20 0 CFADRP COc1cc(C)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414800562 533574286 /nfs/dbraw/zinc/57/42/86/533574286.db2.gz LCGXKCPDYCYLOB-HIFRSBDPSA-N 2 0 292.423 2.619 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414892240 533579766 /nfs/dbraw/zinc/57/97/66/533579766.db2.gz WWWYPSYPBVVANX-NSHDSACASA-N 2 0 261.394 2.637 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422735305 533537686 /nfs/dbraw/zinc/53/76/86/533537686.db2.gz VWOAFVNITNOALR-LSDHHAIUSA-N 2 0 295.496 2.992 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422832215 533537776 /nfs/dbraw/zinc/53/77/76/533537776.db2.gz KTXRKKNRVIOFLZ-HOTGVXAUSA-N 2 0 275.440 2.620 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOc1ccc(F)cc1 ZINC000422777403 533538251 /nfs/dbraw/zinc/53/82/51/533538251.db2.gz FOAUFWFIZRDGNX-ZDUSSCGKSA-N 2 0 268.376 2.702 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422899860 533538303 /nfs/dbraw/zinc/53/83/03/533538303.db2.gz PIOSKCCAWFFCNT-GJZGRUSLSA-N 2 0 293.430 2.759 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422735303 533538508 /nfs/dbraw/zinc/53/85/08/533538508.db2.gz VWOAFVNITNOALR-GJZGRUSLSA-N 2 0 295.496 2.992 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423169321 533540970 /nfs/dbraw/zinc/54/09/70/533540970.db2.gz JCHIZBDIHCJTQH-CORIIIEPSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CSc2ccccc21 ZINC000423144705 533554053 /nfs/dbraw/zinc/55/40/53/533554053.db2.gz HSBKBAMTWMEIKI-RYUDHWBXSA-N 2 0 250.411 2.593 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000423246850 533608832 /nfs/dbraw/zinc/60/88/32/533608832.db2.gz KJLMHZSRYOIRTR-ZIAGYGMSSA-N 2 0 292.423 2.662 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000425932015 533612693 /nfs/dbraw/zinc/61/26/93/533612693.db2.gz OFNZIQHGIYZVJT-JSGCOSHPSA-N 2 0 294.439 2.861 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000422852799 533614144 /nfs/dbraw/zinc/61/41/44/533614144.db2.gz BIJWNVXOBGKWCP-OLZOCXBDSA-N 2 0 280.412 2.790 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835857 533670486 /nfs/dbraw/zinc/67/04/86/533670486.db2.gz RZOACCZNRRZWRR-DOTOQJQBSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414822252 533662258 /nfs/dbraw/zinc/66/22/58/533662258.db2.gz DLEZDJKDPQIJRX-GXTWGEPZSA-N 2 0 298.377 2.951 20 0 CFADRP C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000682912097 542609360 /nfs/dbraw/zinc/60/93/60/542609360.db2.gz ILQAMKGBKUXEFI-YOEHRIQHSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342095666 130256657 /nfs/dbraw/zinc/25/66/57/130256657.db2.gz YJEDZKGKIYRXBR-BZSNNMDCSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]CC1([NH3+])CCC1 ZINC000342121912 130278480 /nfs/dbraw/zinc/27/84/80/130278480.db2.gz GYHLHMRVJDLVIL-UHFFFAOYSA-N 2 0 262.397 2.543 20 0 CFADRP CSC1(C[NH2+]Cc2cccc(F)c2)CC[NH+](C)CC1 ZINC000353188541 130596820 /nfs/dbraw/zinc/59/68/20/130596820.db2.gz HLBNRLHUJZIJFQ-UHFFFAOYSA-N 2 0 282.428 2.743 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414831614 285479203 /nfs/dbraw/zinc/47/92/03/285479203.db2.gz NHINWQOVBUZICT-BZSNNMDCSA-N 2 0 272.436 2.987 20 0 CFADRP c1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423209704 285479864 /nfs/dbraw/zinc/47/98/64/285479864.db2.gz JILVEWQLTGDDFZ-RDJZCZTQSA-N 2 0 258.409 2.597 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250101295 131123938 /nfs/dbraw/zinc/12/39/38/131123938.db2.gz XJOQDDCHXOAUHS-OLZOCXBDSA-N 2 0 250.411 2.507 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252513453 131135755 /nfs/dbraw/zinc/13/57/55/131135755.db2.gz RAHBJUWITVDBSO-IRXDYDNUSA-N 2 0 274.408 2.549 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000268757575 132062179 /nfs/dbraw/zinc/06/21/79/132062179.db2.gz MCUIHKKPOAFUGW-LSDHHAIUSA-N 2 0 276.424 2.795 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3OC)C1 ZINC000268775951 132064143 /nfs/dbraw/zinc/06/41/43/132064143.db2.gz NPZRIDFGVHEMBB-XJKSGUPXSA-N 2 0 274.408 2.614 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268786075 132065812 /nfs/dbraw/zinc/06/58/12/132065812.db2.gz ZVISEIFLAMNYQN-RCBQFDQVSA-N 2 0 296.842 2.693 20 0 CFADRP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268801958 132068732 /nfs/dbraw/zinc/06/87/32/132068732.db2.gz KRWJUSKASRYLEK-NUJGCVRESA-N 2 0 290.451 2.769 20 0 CFADRP CC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000268835504 132074215 /nfs/dbraw/zinc/07/42/15/132074215.db2.gz XZJSUXQHORYRKW-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1C ZINC000268981731 132095673 /nfs/dbraw/zinc/09/56/73/132095673.db2.gz KSYURUQFDWYVPP-INIZCTEOSA-N 2 0 290.451 2.719 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000269023595 132101131 /nfs/dbraw/zinc/10/11/31/132101131.db2.gz PZKPVMRORJMOBI-QWHCGFSZSA-N 2 0 262.397 2.708 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCCCCO)CN1Cc1ccccc1 ZINC000684112032 542766332 /nfs/dbraw/zinc/76/63/32/542766332.db2.gz GQLFZRVXVRQXDN-KRWDZBQOSA-N 2 0 290.451 2.792 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CCCC1 ZINC000335039001 285521933 /nfs/dbraw/zinc/52/19/33/285521933.db2.gz JUASISAUWKBDDM-RDJZCZTQSA-N 2 0 272.392 2.775 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000178987863 393450985 /nfs/dbraw/zinc/45/09/85/393450985.db2.gz ZMXMHDLBZSDHPW-OAHLLOKOSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300275266 393465782 /nfs/dbraw/zinc/46/57/82/393465782.db2.gz NDYNHIMHABQTBW-CQDKDKBSSA-N 2 0 262.397 2.518 20 0 CFADRP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000376415324 393518500 /nfs/dbraw/zinc/51/85/00/393518500.db2.gz OSAPJNZENLBYRA-UQPPLGOBSA-N 2 0 278.440 2.552 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000035647856 393521914 /nfs/dbraw/zinc/52/19/14/393521914.db2.gz MYZLJLFNPZIFSX-OAHLLOKOSA-N 2 0 278.440 2.948 20 0 CFADRP Cc1csc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000379155487 393551822 /nfs/dbraw/zinc/55/18/22/393551822.db2.gz WQPKFNWJFGCJSK-LBPRGKRZSA-N 2 0 252.427 2.876 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000378523033 393547042 /nfs/dbraw/zinc/54/70/42/393547042.db2.gz ZBDWTSPIXZFNCR-UAGQMJEPSA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381059475 393560604 /nfs/dbraw/zinc/56/06/04/393560604.db2.gz KEHQPUFIKLPFSY-IAGOWNOFSA-N 2 0 290.451 2.505 20 0 CFADRP CC(C)C[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000684362564 542793266 /nfs/dbraw/zinc/79/32/66/542793266.db2.gz RGBBVEJHOUNWPW-SQNIBIBYSA-N 2 0 272.436 2.968 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000684370300 542794679 /nfs/dbraw/zinc/79/46/79/542794679.db2.gz RSDPREISSLMHAI-IRXDYDNUSA-N 2 0 273.424 2.539 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000684376534 542796293 /nfs/dbraw/zinc/79/62/93/542796293.db2.gz CQFBNUSYXAJWGG-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]1C[N@H+](CCCCC2CCOCC2)CC[C@@H]1[NH3+] ZINC000382101427 393569029 /nfs/dbraw/zinc/56/90/29/393569029.db2.gz LFVVJZDGVMCXEL-HOTGVXAUSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CCCCC[C@@H]2[NH3+])([NH+](C)C)C1 ZINC000422729069 296493736 /nfs/dbraw/zinc/49/37/36/296493736.db2.gz BDRZYJKPNDPWEP-TWMKSMIVSA-N 2 0 281.488 2.747 20 0 CFADRP C(CN1CCC[N@@H+](C2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000189041226 393570302 /nfs/dbraw/zinc/57/03/02/393570302.db2.gz HUVNCZTUPKJVLM-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CC[C@H]3CCC[NH2+]3)C2)c1 ZINC000423359531 285554730 /nfs/dbraw/zinc/55/47/30/285554730.db2.gz KURYFVQQCZGFGV-USXIJHARSA-N 2 0 273.424 2.840 20 0 CFADRP CN(Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000394419905 393595844 /nfs/dbraw/zinc/59/58/44/393595844.db2.gz BUVSLIGPEVVQSL-GOSISDBHSA-N 2 0 298.434 2.505 20 0 CFADRP CO[C@@H](C[NH2+]CCC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400159671 393599673 /nfs/dbraw/zinc/59/96/73/393599673.db2.gz FZNNBTYOICZRFD-KRWDZBQOSA-N 2 0 276.424 2.523 20 0 CFADRP CO[C@H](C[NH2+]CCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000400277352 393600070 /nfs/dbraw/zinc/60/00/70/393600070.db2.gz ZOCRFMUJRSUDJO-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400221052 393600170 /nfs/dbraw/zinc/60/01/70/393600170.db2.gz WWQKUEAKCRDQTO-SJLPKXTDSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000190916592 393584640 /nfs/dbraw/zinc/58/46/40/393584640.db2.gz WDTHEQYKISIRLH-TXCZRRACSA-N 2 0 278.440 2.503 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCCC2)c2ccccc21 ZINC000386324688 393586164 /nfs/dbraw/zinc/58/61/64/393586164.db2.gz YXKCHVFDGWNKIE-IXDOHACOSA-N 2 0 274.408 2.662 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](CCC)OC)CC1 ZINC000386402838 393586268 /nfs/dbraw/zinc/58/62/68/393586268.db2.gz HJQGGZLPKLOLGZ-HNNXBMFYSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)[NH2+][C@@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000386643714 393587884 /nfs/dbraw/zinc/58/78/84/393587884.db2.gz ALWORVYZROJWFY-GOSISDBHSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccs1)CC[NH2+]CC2 ZINC000335543979 393677365 /nfs/dbraw/zinc/67/73/65/393677365.db2.gz OUSSCCTVWBFDPI-LBPRGKRZSA-N 2 0 250.411 2.712 20 0 CFADRP OCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000411170825 393678779 /nfs/dbraw/zinc/67/87/79/393678779.db2.gz YALJJKCQMYFHNS-UHFFFAOYSA-N 2 0 288.435 2.629 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccns1 ZINC000404417634 393618406 /nfs/dbraw/zinc/61/84/06/393618406.db2.gz PGQPAEXAZOXNFZ-GFCCVEGCSA-N 2 0 255.431 2.743 20 0 CFADRP Cc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)sn1 ZINC000404464226 393619952 /nfs/dbraw/zinc/61/99/52/393619952.db2.gz USICLNONMMZWSW-UHFFFAOYSA-N 2 0 255.431 2.662 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(F)c(F)c1 ZINC000404788157 393621734 /nfs/dbraw/zinc/62/17/34/393621734.db2.gz ZFUIQONKDVMXOG-ZEGGKSINSA-N 2 0 254.324 2.741 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC000334819608 393623636 /nfs/dbraw/zinc/62/36/36/393623636.db2.gz PSLMYRHQLGGSEY-STQMWFEESA-N 2 0 262.372 2.572 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000193130869 393642934 /nfs/dbraw/zinc/64/29/34/393642934.db2.gz GQVTWVWTEOJOCF-RDJZCZTQSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)C1C[NH2+]C1 ZINC000335600728 393683003 /nfs/dbraw/zinc/68/30/03/393683003.db2.gz ASSBMTAYUXIGRT-XPTSAGLGSA-N 2 0 250.773 2.525 20 0 CFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000335460908 393669461 /nfs/dbraw/zinc/66/94/61/393669461.db2.gz HWQWWYPOFTYPPF-CQSZACIVSA-N 2 0 262.422 2.649 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194027977 393671694 /nfs/dbraw/zinc/67/16/94/393671694.db2.gz GBKFSVFIPLRWRF-YLFCFFPRSA-N 2 0 292.467 2.654 20 0 CFADRP Fc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335519470 393674874 /nfs/dbraw/zinc/67/48/74/393674874.db2.gz PWFXPWWWBBPRKK-FZMZJTMJSA-N 2 0 280.412 2.952 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000081569082 393735912 /nfs/dbraw/zinc/73/59/12/393735912.db2.gz TZIJDCVQNMTTJD-CYBMUJFWSA-N 2 0 296.377 2.619 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2c(O)cccc12 ZINC000684566708 542827711 /nfs/dbraw/zinc/82/77/11/542827711.db2.gz YBKZAADXNPZQLK-UHFFFAOYSA-N 2 0 273.380 2.940 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000337246680 393755871 /nfs/dbraw/zinc/75/58/71/393755871.db2.gz HQMZBGAFHVTAJU-CABCVRRESA-N 2 0 256.434 2.654 20 0 CFADRP CO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411335952 393701526 /nfs/dbraw/zinc/70/15/26/393701526.db2.gz RUEMCYQJSLLOCU-SFHVURJKSA-N 2 0 288.435 2.893 20 0 CFADRP CCC(CC)(CC)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411389584 393706595 /nfs/dbraw/zinc/70/65/95/393706595.db2.gz XCJFHVIQQJEHGZ-UHFFFAOYSA-N 2 0 297.487 2.534 20 0 CFADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CC(O)C1 ZINC000411523761 393721586 /nfs/dbraw/zinc/72/15/86/393721586.db2.gz GMNQJVQDUQLVCA-UHFFFAOYSA-N 2 0 288.435 2.628 20 0 CFADRP CC(C)[C@@H](C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000081047439 393730897 /nfs/dbraw/zinc/73/08/97/393730897.db2.gz RETQYOLPMSXKNI-AWEZNQCLSA-N 2 0 261.413 2.932 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338306964 393780835 /nfs/dbraw/zinc/78/08/35/393780835.db2.gz WWWAHERSLRYTDL-OLZOCXBDSA-N 2 0 260.372 2.695 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000235365654 393784620 /nfs/dbraw/zinc/78/46/20/393784620.db2.gz MCUVFKZTDYTYQT-TZMCWYRMSA-N 2 0 250.361 2.646 20 0 CFADRP C[NH+]1CCC(CNc2cc[nH+]c3c(O)cccc23)CC1 ZINC000684571673 542829033 /nfs/dbraw/zinc/82/90/33/542829033.db2.gz KCPHGIQTJXZRKW-UHFFFAOYSA-N 2 0 271.364 2.694 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000424339805 393836404 /nfs/dbraw/zinc/83/64/04/393836404.db2.gz WOPDWYSWKPBGCG-OOIBXKBGSA-N 2 0 285.391 2.628 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424206406 393797706 /nfs/dbraw/zinc/79/77/06/393797706.db2.gz WZLQDZNEQNRWME-DLBZAZTESA-N 2 0 282.391 2.854 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414682026 393802857 /nfs/dbraw/zinc/80/28/57/393802857.db2.gz QMOJYPFJWNKXJM-HZPDHXFCSA-N 2 0 276.424 2.694 20 0 CFADRP CCC1(CC)C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CCS1 ZINC000414757862 393803563 /nfs/dbraw/zinc/80/35/63/393803563.db2.gz LWXZMDDFVDPNKM-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414963553 393807864 /nfs/dbraw/zinc/80/78/64/393807864.db2.gz UEBAJEVCHAWOLY-KPPDAEKUSA-N 2 0 252.324 2.695 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414884230 393808931 /nfs/dbraw/zinc/80/89/31/393808931.db2.gz VVRQNRLYRFWQER-CQSZACIVSA-N 2 0 286.423 2.680 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415117609 393811968 /nfs/dbraw/zinc/81/19/68/393811968.db2.gz ZSWPDILMRGMJDG-JKSUJKDBSA-N 2 0 268.445 2.641 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]CC1CC[NH2+]CC1 ZINC000415085517 393812482 /nfs/dbraw/zinc/81/24/82/393812482.db2.gz SSENTQOKABXSNL-UHFFFAOYSA-N 2 0 276.424 2.662 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289700 393815207 /nfs/dbraw/zinc/81/52/07/393815207.db2.gz MICIZNBMACMNPW-OAHLLOKOSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292884 393815319 /nfs/dbraw/zinc/81/53/19/393815319.db2.gz OOJZUTDWTIMXKF-OAHLLOKOSA-N 2 0 258.409 2.959 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424301549 393817715 /nfs/dbraw/zinc/81/77/15/393817715.db2.gz VRBDSVCMILCMIK-HOCLYGCPSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424331229 393832325 /nfs/dbraw/zinc/83/23/25/393832325.db2.gz JGCNSEKLRUBREI-HZPDHXFCSA-N 2 0 276.424 2.932 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000246385997 393864389 /nfs/dbraw/zinc/86/43/89/393864389.db2.gz SAOLBKKWQAHDLW-IIAWOOMASA-N 2 0 294.439 2.849 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855750 393870995 /nfs/dbraw/zinc/87/09/95/393870995.db2.gz UYRBCGGTKATXBU-NTJJZPMZSA-N 2 0 274.452 2.744 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344128955 393895834 /nfs/dbraw/zinc/89/58/34/393895834.db2.gz JVORGDNKGHCLPH-MAURAIGZSA-N 2 0 280.456 2.510 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344744128 393903418 /nfs/dbraw/zinc/90/34/18/393903418.db2.gz KHBAHKHSTYBYTJ-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP CCOC1(C)CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000428708432 393907265 /nfs/dbraw/zinc/90/72/65/393907265.db2.gz HQGVBENAFPKYSZ-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424380382 393841460 /nfs/dbraw/zinc/84/14/60/393841460.db2.gz XBXUEHVZBDVDJW-ZJIFWQFVSA-N 2 0 296.455 2.748 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424369977 393841664 /nfs/dbraw/zinc/84/16/64/393841664.db2.gz SBTBICFSZMICJR-IAOVAPTHSA-N 2 0 276.424 2.876 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000246194315 393852779 /nfs/dbraw/zinc/85/27/79/393852779.db2.gz DMAGKZGUOQOSMG-YDHLFZDLSA-N 2 0 289.423 2.671 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773082 542852435 /nfs/dbraw/zinc/85/24/35/542852435.db2.gz ATPSKQOHLOQZPG-RDJZCZTQSA-N 2 0 282.472 2.924 20 0 CFADRP CC(C)[N@H+](C)CC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000684851072 542862682 /nfs/dbraw/zinc/86/26/82/542862682.db2.gz WZTVDXWKHPVAMS-UHFFFAOYSA-N 2 0 298.390 2.526 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000249989780 393926789 /nfs/dbraw/zinc/92/67/89/393926789.db2.gz KMMSWIKBDZTHAO-BZUAXINKSA-N 2 0 262.372 2.836 20 0 CFADRP C([C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)[NH+]1CCCCCC1 ZINC000346819575 393934008 /nfs/dbraw/zinc/93/40/08/393934008.db2.gz HODLQCCZKZNOOM-ROUUACIJSA-N 2 0 293.499 2.574 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000120472114 393934811 /nfs/dbraw/zinc/93/48/11/393934811.db2.gz ZHTNHTLRXJYJTA-KOZAUXTDSA-N 2 0 296.842 2.692 20 0 CFADRP CCC[N@H+](C[C@H]1CCO[C@H](CC)C1)C1CC[NH2+]CC1 ZINC000346993813 393935750 /nfs/dbraw/zinc/93/57/50/393935750.db2.gz AVIHCMJVZWWYID-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000252869443 393938968 /nfs/dbraw/zinc/93/89/68/393938968.db2.gz RYDFLHNDXXDVRI-OLMNGRFOSA-N 2 0 250.430 2.872 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000475155774 393951401 /nfs/dbraw/zinc/95/14/01/393951401.db2.gz KLKIMWYEEDZWSA-KURKYZTESA-N 2 0 296.499 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000120765035 393940651 /nfs/dbraw/zinc/94/06/51/393940651.db2.gz BFHPTWXJUWHTII-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(SC)CC2)C1 ZINC000347865540 393945969 /nfs/dbraw/zinc/94/59/69/393945969.db2.gz ZQEUVTMJJKVYPR-ZDUSSCGKSA-N 2 0 256.459 2.546 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000249032531 393918886 /nfs/dbraw/zinc/91/88/86/393918886.db2.gz FLEAIRQBTPREPW-DOTOQJQBSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249380155 393922117 /nfs/dbraw/zinc/92/21/17/393922117.db2.gz POGAWRWXMAWKJD-MGPQQGTHSA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000359948573 285570696 /nfs/dbraw/zinc/57/06/96/285570696.db2.gz BVXRTCBRRZXZPE-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000430148132 393962764 /nfs/dbraw/zinc/96/27/64/393962764.db2.gz RBPIECLDDHGQCB-KURKYZTESA-N 2 0 270.420 2.818 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1CC[NH+](CCC)CC1 ZINC000122749589 393971812 /nfs/dbraw/zinc/97/18/12/393971812.db2.gz XFPBEAYSXRXSRF-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000486935315 393972432 /nfs/dbraw/zinc/97/24/32/393972432.db2.gz IMVZWCMVIZYJRA-ARJAWSKDSA-N 2 0 259.397 2.557 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000486935317 393972573 /nfs/dbraw/zinc/97/25/73/393972573.db2.gz IMVZWCMVIZYJRA-ONEGZZNKSA-N 2 0 259.397 2.557 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000123199504 393976940 /nfs/dbraw/zinc/97/69/40/393976940.db2.gz SSVWJXPJJGVYEQ-IRXDYDNUSA-N 2 0 280.456 2.941 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C[C@H]1CCSC1 ZINC000486988524 393978473 /nfs/dbraw/zinc/97/84/73/393978473.db2.gz IXAHKGHQEONUDX-CQSZACIVSA-N 2 0 258.475 2.841 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000126331280 394025308 /nfs/dbraw/zinc/02/53/08/394025308.db2.gz DQTLKIBCPLAMIP-QGZVFWFLSA-N 2 0 258.409 2.914 20 0 CFADRP CC(C)c1cccc(NC(=O)CN[C@@](C)(C[NH3+])C(C)C)c1 ZINC000430564920 393993728 /nfs/dbraw/zinc/99/37/28/393993728.db2.gz DIVYGXNPWVSTEF-KRWDZBQOSA-N 2 0 291.439 2.712 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430574505 393995544 /nfs/dbraw/zinc/99/55/44/393995544.db2.gz OCWJNOCAWWJTNU-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP C[NH2+][C@H]1CCN(CCCOc2cccc3ccccc32)C1 ZINC000430596842 393997882 /nfs/dbraw/zinc/99/78/82/393997882.db2.gz XRDWYUHBKUMIHP-INIZCTEOSA-N 2 0 284.403 2.902 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000430613932 393999064 /nfs/dbraw/zinc/99/90/64/393999064.db2.gz XTGUYCPWCYTMLZ-KRWDZBQOSA-N 2 0 260.425 2.723 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487558470 394011784 /nfs/dbraw/zinc/01/17/84/394011784.db2.gz YNGGCVNGUTYBQO-SOUVJXGZSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCSCC1 ZINC000353927408 394038427 /nfs/dbraw/zinc/03/84/27/394038427.db2.gz IPCLHAVKOUHJSB-NWANDNLSSA-N 2 0 268.470 2.735 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000126925679 394039086 /nfs/dbraw/zinc/03/90/86/394039086.db2.gz FOQKHHMANFWBDB-OAHLLOKOSA-N 2 0 263.429 2.990 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(C)CC1 ZINC000126978928 394040259 /nfs/dbraw/zinc/04/02/59/394040259.db2.gz HOJYWZARIUUDRV-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1(C(=O)OC)CCC1 ZINC000354086404 394041524 /nfs/dbraw/zinc/04/15/24/394041524.db2.gz PKAKVSDVCSNMFK-ILXRZTDVSA-N 2 0 296.455 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCCOC(C)C)CC1 ZINC000127086299 394043254 /nfs/dbraw/zinc/04/32/54/394043254.db2.gz ADRMHIQJLXVVSB-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP Cc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC000274746559 394043715 /nfs/dbraw/zinc/04/37/15/394043715.db2.gz AWLPQMIJHXYLND-HNNXBMFYSA-N 2 0 259.397 2.558 20 0 CFADRP Cc1cncc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000274614858 394043723 /nfs/dbraw/zinc/04/37/23/394043723.db2.gz OGJMLZNESDGTKE-XEZPLFJOSA-N 2 0 259.397 2.523 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000354215609 394043776 /nfs/dbraw/zinc/04/37/76/394043776.db2.gz FKNYUGVKMAFXKP-XHSDSOJGSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000354215606 394043836 /nfs/dbraw/zinc/04/38/36/394043836.db2.gz FKNYUGVKMAFXKP-ARFHVFGLSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(COC)o2)CC1 ZINC000127357376 394048452 /nfs/dbraw/zinc/04/84/52/394048452.db2.gz PCZAMBRFTHNQDZ-UHFFFAOYSA-N 2 0 280.412 2.638 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000354621586 394049481 /nfs/dbraw/zinc/04/94/81/394049481.db2.gz AJAPOYMPZACVLA-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)sc1C ZINC000127735213 394054916 /nfs/dbraw/zinc/05/49/16/394054916.db2.gz WQUZXLDFPRVAPP-MISXGVKJSA-N 2 0 281.469 2.621 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127879588 394058240 /nfs/dbraw/zinc/05/82/40/394058240.db2.gz FGUJMQMRLCJYCA-ZDUSSCGKSA-N 2 0 264.388 2.861 20 0 CFADRP Cc1ccsc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355220360 394060258 /nfs/dbraw/zinc/06/02/58/394060258.db2.gz KVRCXCYVRDBHDV-RRFJBIMHSA-N 2 0 294.464 2.740 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000128029521 394062342 /nfs/dbraw/zinc/06/23/42/394062342.db2.gz WTPKHBCETOWVDY-RHSMWYFYSA-N 2 0 296.430 2.876 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128353973 394068445 /nfs/dbraw/zinc/06/84/45/394068445.db2.gz UCWLXZUOPPRXEW-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC000437703826 394069676 /nfs/dbraw/zinc/06/96/76/394069676.db2.gz WVFOYUFXMOMRAP-MSOLQXFVSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000437768404 394072843 /nfs/dbraw/zinc/07/28/43/394072843.db2.gz BKBWZOLGIHLXRE-LTDKPHRXSA-N 3 0 287.451 2.681 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000437768403 394072885 /nfs/dbraw/zinc/07/28/85/394072885.db2.gz BKBWZOLGIHLXRE-KUQKPQIMSA-N 3 0 287.451 2.681 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CN1C1CC1 ZINC000128976448 394079397 /nfs/dbraw/zinc/07/93/97/394079397.db2.gz QPQWJPHHCPKZHN-TYNCELHUSA-N 2 0 260.381 2.872 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000356825909 394081463 /nfs/dbraw/zinc/08/14/63/394081463.db2.gz AYGZEALXRIEVQJ-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000357058741 394083747 /nfs/dbraw/zinc/08/37/47/394083747.db2.gz WDOJCZLXGUEKSJ-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)Oc1ccc2[nH+]ccc(NCCCC[NH3+])c2c1 ZINC000420245316 394104758 /nfs/dbraw/zinc/10/47/58/394104758.db2.gz ZGGQESIHQKCNKI-UHFFFAOYSA-N 2 0 273.380 2.595 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358236498 394098937 /nfs/dbraw/zinc/09/89/37/394098937.db2.gz AWNCJSSROCITDU-SUJAAXHWSA-N 2 0 282.472 2.898 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000419234729 394034739 /nfs/dbraw/zinc/03/47/39/394034739.db2.gz IIECDUXCESTAOY-NXHRZFHOSA-N 2 0 294.483 2.996 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3CCOCC3)C2)CC1 ZINC000361682859 394176593 /nfs/dbraw/zinc/17/65/93/394176593.db2.gz SALYHRTXYKTZAM-SFHVURJKSA-N 2 0 294.483 2.857 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000130270506 394107068 /nfs/dbraw/zinc/10/70/68/394107068.db2.gz HHXWWYQJEUZTPS-SGMGOOAPSA-N 2 0 281.469 2.566 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CC[N@@H+]1C ZINC000130264787 394107660 /nfs/dbraw/zinc/10/76/60/394107660.db2.gz ZQVRWUBAIKIARG-CABCVRRESA-N 2 0 262.397 2.528 20 0 CFADRP CSc1ccccc1CN(C)C1CC[NH2+]CC1 ZINC000420269249 394110821 /nfs/dbraw/zinc/11/08/21/394110821.db2.gz HSGIEOLSYYKCBR-UHFFFAOYSA-N 2 0 250.411 2.592 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282026813 394112907 /nfs/dbraw/zinc/11/29/07/394112907.db2.gz SRVDTOWJKGYKMA-LSDHHAIUSA-N 2 0 297.446 2.957 20 0 CFADRP Cc1cc(C)cc(NC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+])c1 ZINC000420283569 394115846 /nfs/dbraw/zinc/11/58/46/394115846.db2.gz CEMQXFLTMMXVLQ-AWEZNQCLSA-N 2 0 291.439 2.547 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420305288 394116707 /nfs/dbraw/zinc/11/67/07/394116707.db2.gz PHAFBKSIJJYKGW-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381767 394118519 /nfs/dbraw/zinc/11/85/19/394118519.db2.gz CPUQESFBQDYKRT-DOTOQJQBSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000131574996 394136382 /nfs/dbraw/zinc/13/63/82/394136382.db2.gz NTQRXAFKXUOIGG-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881359 394140039 /nfs/dbraw/zinc/14/00/39/394140039.db2.gz ZGBKZABGRAWAJI-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881362 394140518 /nfs/dbraw/zinc/14/05/18/394140518.db2.gz ZGBKZABGRAWAJI-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000131915589 394144018 /nfs/dbraw/zinc/14/40/18/394144018.db2.gz MZSQSQWILNPUPN-DZKIICNBSA-N 2 0 268.445 2.654 20 0 CFADRP COCC1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000361317786 394170639 /nfs/dbraw/zinc/17/06/39/394170639.db2.gz CIWVGPPNACSCOR-MRXNPFEDSA-N 2 0 280.456 2.611 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000449219666 394255725 /nfs/dbraw/zinc/25/57/25/394255725.db2.gz FFQKDLXMGMPHIE-SFHVURJKSA-N 2 0 295.515 2.961 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421374079 394207364 /nfs/dbraw/zinc/20/73/64/394207364.db2.gz NFKALHDAVPWHMA-WLYUNCDWSA-N 2 0 261.413 2.913 20 0 CFADRP CC(C)Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000421379231 394210415 /nfs/dbraw/zinc/21/04/15/394210415.db2.gz WVJKOTIJFWYWSK-UHFFFAOYSA-N 2 0 278.444 2.502 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449114946 394217609 /nfs/dbraw/zinc/21/76/09/394217609.db2.gz FWFWCVXLJUZLJK-MRXNPFEDSA-N 2 0 288.391 2.633 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150968782 394257098 /nfs/dbraw/zinc/25/70/98/394257098.db2.gz HDPHSVHTWONMIU-QZTJIDSGSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422890577 394257357 /nfs/dbraw/zinc/25/73/57/394257357.db2.gz ISCUHVADARVAFC-NVDSNGLKSA-N 2 0 268.445 2.543 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449130956 394222636 /nfs/dbraw/zinc/22/26/36/394222636.db2.gz JDPGDGXXABUXMS-ZBFHGGJFSA-N 2 0 264.413 2.921 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CC[C@@H]1CCCO1)CC2)C1CC1 ZINC000364968346 394225190 /nfs/dbraw/zinc/22/51/90/394225190.db2.gz DBOHHNUYASGZOL-RDJZCZTQSA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422885478 394257708 /nfs/dbraw/zinc/25/77/08/394257708.db2.gz YVPWFCSJXUDRBU-RRQGHBQHSA-N 2 0 276.424 2.652 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000449225864 394257760 /nfs/dbraw/zinc/25/77/60/394257760.db2.gz VIGNRWXIQRTBRF-CQSZACIVSA-N 2 0 293.455 2.936 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000449156203 394233407 /nfs/dbraw/zinc/23/34/07/394233407.db2.gz CYKCVJQGHAERPE-MUQADHOPSA-N 2 0 294.483 2.902 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449166463 394238062 /nfs/dbraw/zinc/23/80/62/394238062.db2.gz DARQKHGNKDUNBD-CQSZACIVSA-N 2 0 264.413 2.922 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000138718388 394243326 /nfs/dbraw/zinc/24/33/26/394243326.db2.gz HYZLQOGLFYMRAR-MRXNPFEDSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366545140 394244494 /nfs/dbraw/zinc/24/44/94/394244494.db2.gz OELFAINCSWABOS-OAGGEKHMSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000449186078 394245795 /nfs/dbraw/zinc/24/57/95/394245795.db2.gz HGLJNIFVHPUKCG-PEZLKRJXSA-N 2 0 294.483 2.779 20 0 CFADRP CCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422735850 394253858 /nfs/dbraw/zinc/25/38/58/394253858.db2.gz WUTPXIUMODVSAK-ZBFHGGJFSA-N 2 0 260.381 2.632 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCc2ccccc21 ZINC000422712744 394253986 /nfs/dbraw/zinc/25/39/86/394253986.db2.gz IUIZJKCHEMMIOX-UQPPLGOBSA-N 2 0 287.451 2.545 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422750220 394254313 /nfs/dbraw/zinc/25/43/13/394254313.db2.gz CLJRGCKNUDXDNF-BRWVUGGUSA-N 2 0 258.409 2.794 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000362379405 394184546 /nfs/dbraw/zinc/18/45/46/394184546.db2.gz IGAQWXUVWPAKGE-CQSZACIVSA-N 2 0 274.408 2.579 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422807370 394255011 /nfs/dbraw/zinc/25/50/11/394255011.db2.gz MMQWCTPJZYFVKD-GVDBMIGSSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[C@@H]2COCCN2)cc1F ZINC000134098294 394188797 /nfs/dbraw/zinc/18/87/97/394188797.db2.gz YXSWBIRMBLFCSL-GZBFAFLISA-N 2 0 280.387 2.552 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(OCC2CC2)cc1)C[NH+](C)C ZINC000291796276 394261450 /nfs/dbraw/zinc/26/14/50/394261450.db2.gz WPYQHYBTRAQKEI-AWEZNQCLSA-N 2 0 276.424 2.763 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(F)cc1F ZINC000151861283 394264274 /nfs/dbraw/zinc/26/42/74/394264274.db2.gz PWVZXLZDTZNAGW-WQGACYEGSA-N 2 0 282.378 2.998 20 0 CFADRP CC(C)Oc1ccccc1CNC[C@@H](C)C[NH+](C)C ZINC000291810126 394264463 /nfs/dbraw/zinc/26/44/63/394264463.db2.gz YEOJTTQGSGHPOY-CQSZACIVSA-N 2 0 264.413 2.761 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423077154 394265379 /nfs/dbraw/zinc/26/53/79/394265379.db2.gz LFHALNDAIQKZRO-XOYOTBSWSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[NH+](C)C ZINC000151909019 394265441 /nfs/dbraw/zinc/26/54/41/394265441.db2.gz HUUYUQHLQJFXKZ-MLGOLLRUSA-N 2 0 264.388 2.990 20 0 CFADRP CCCNc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423080700 394266469 /nfs/dbraw/zinc/26/64/69/394266469.db2.gz ZXLIASAAGHIAHV-SJPCQFCGSA-N 2 0 273.424 2.881 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423082919 394266604 /nfs/dbraw/zinc/26/66/04/394266604.db2.gz FFROCWQVWUURJU-HIFRSBDPSA-N 2 0 271.408 2.704 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423092684 394269781 /nfs/dbraw/zinc/26/97/81/394269781.db2.gz DAGHPPKBOYHTNA-ZJUUUORDSA-N 2 0 286.217 2.622 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423114048 394270477 /nfs/dbraw/zinc/27/04/77/394270477.db2.gz ZUMNRCCAMYZLFY-HUBLWGQQSA-N 2 0 283.847 2.658 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093433 394270488 /nfs/dbraw/zinc/27/04/88/394270488.db2.gz HLIDEOJXYVFKNL-RDJZCZTQSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423143166 394271013 /nfs/dbraw/zinc/27/10/13/394271013.db2.gz CMEOFDKWKXNGEE-YSVLISHTSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])c2ccccc2O1 ZINC000423160851 394272051 /nfs/dbraw/zinc/27/20/51/394272051.db2.gz QXTDEHVGMZURST-RJZRQDKASA-N 2 0 260.381 2.616 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC1(F)F ZINC000423146592 394272112 /nfs/dbraw/zinc/27/21/12/394272112.db2.gz AXVDIWVVRXLLDN-NWANDNLSSA-N 2 0 282.378 2.970 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423207611 394273575 /nfs/dbraw/zinc/27/35/75/394273575.db2.gz XSLYDFGCLVMIIT-UNXYVOJBSA-N 2 0 266.351 2.943 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)[C@@H]1CCC[NH2+]C1 ZINC000423221774 394273970 /nfs/dbraw/zinc/27/39/70/394273970.db2.gz YBLCVKRTCPSZKJ-WOSRLPQWSA-N 2 0 274.408 2.747 20 0 CFADRP COCCC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423243556 394274209 /nfs/dbraw/zinc/27/42/09/394274209.db2.gz GNTPMYXAAVXSQG-RHSMWYFYSA-N 2 0 294.414 2.883 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1nc2ccccc2n1C ZINC000423275895 394275574 /nfs/dbraw/zinc/27/55/74/394275574.db2.gz MGLXFSIGGTZOHT-MJBXVCDLSA-N 2 0 286.423 2.741 20 0 CFADRP CC[C@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@H]1CCOC1 ZINC000423272695 394276096 /nfs/dbraw/zinc/27/60/96/394276096.db2.gz IHQLPUZLKQSSMJ-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000423317469 394277042 /nfs/dbraw/zinc/27/70/42/394277042.db2.gz BMQLXOTXISYEFI-SJORKVTESA-N 2 0 258.409 2.962 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000423358233 394279125 /nfs/dbraw/zinc/27/91/25/394279125.db2.gz BNVFUYJOJLPVQG-DLOVCJGASA-N 2 0 283.803 2.664 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423362240 394279170 /nfs/dbraw/zinc/27/91/70/394279170.db2.gz NABPIDDCXDVOGL-VXGBXAGGSA-N 2 0 279.453 2.815 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423399793 394280132 /nfs/dbraw/zinc/28/01/32/394280132.db2.gz VCBOGSKWCROFQO-NUEKZKHPSA-N 2 0 292.423 2.632 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[C@@H](C)O ZINC000449538670 394280379 /nfs/dbraw/zinc/28/03/79/394280379.db2.gz HNLTXJCMDKIOEJ-SRABZTEZSA-N 2 0 282.472 2.779 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000369705119 394281851 /nfs/dbraw/zinc/28/18/51/394281851.db2.gz UYVKFEBQUCWGBK-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C[NH+](C)C ZINC000293282445 394282563 /nfs/dbraw/zinc/28/25/63/394282563.db2.gz CVTXULXIPNPADX-XHDPSFHLSA-N 2 0 250.361 2.600 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293576434 394283639 /nfs/dbraw/zinc/28/36/39/394283639.db2.gz DROHJXDDHHNIKH-BBRMVZONSA-N 2 0 292.423 2.854 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423484014 394283877 /nfs/dbraw/zinc/28/38/77/394283877.db2.gz YCNSTHCKQQDNFR-GHMZBOCLSA-N 2 0 256.340 2.613 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC23CC3)CC1 ZINC000424180990 394332508 /nfs/dbraw/zinc/33/25/08/394332508.db2.gz AGKQWAXLCYDMGD-GOSISDBHSA-N 2 0 299.462 2.861 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423505491 394284665 /nfs/dbraw/zinc/28/46/65/394284665.db2.gz LRWDMUPOMFIKNT-FKZOYECMSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423503972 394284717 /nfs/dbraw/zinc/28/47/17/394284717.db2.gz FROSJYSFRNEEOC-HJSHSUPBSA-N 2 0 276.399 2.976 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CN1C1CC1 ZINC000423512529 394285992 /nfs/dbraw/zinc/28/59/92/394285992.db2.gz UWPPXUJUQOAPOS-HFTRVMKXSA-N 3 0 287.451 2.681 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000370717474 394288435 /nfs/dbraw/zinc/28/84/35/394288435.db2.gz UUOGYYCLUBJDNU-ROUUACIJSA-N 2 0 293.499 2.811 20 0 CFADRP CC[NH+](CC)CC1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000493602060 394288683 /nfs/dbraw/zinc/28/86/83/394288683.db2.gz FYYHZFYOQNVJKY-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423520851 394289027 /nfs/dbraw/zinc/28/90/27/394289027.db2.gz WNGQYMNSUIPKFR-KKUMJFAQSA-N 2 0 284.407 2.650 20 0 CFADRP C[NH+](C)C[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC000153672639 394289519 /nfs/dbraw/zinc/28/95/19/394289519.db2.gz COAWMJCRBFNNFI-LLVKDONJSA-N 2 0 252.324 2.603 20 0 CFADRP C[C@H](CC1CC1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527683 394291332 /nfs/dbraw/zinc/29/13/32/394291332.db2.gz NCMHTRDRWAAVFC-IVTVCXSGSA-N 2 0 262.441 2.918 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000153761487 394291586 /nfs/dbraw/zinc/29/15/86/394291586.db2.gz NHZMREKZNWHOOT-CYBMUJFWSA-N 2 0 296.480 2.856 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CCOC)s1 ZINC000153797089 394292827 /nfs/dbraw/zinc/29/28/27/394292827.db2.gz PRPFTHDQQAESHW-CYBMUJFWSA-N 2 0 284.469 2.929 20 0 CFADRP CN1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423535663 394293405 /nfs/dbraw/zinc/29/34/05/394293405.db2.gz DZLFOLBJUWSBCA-RBUKOAKNSA-N 2 0 299.462 2.721 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537907 394293710 /nfs/dbraw/zinc/29/37/10/394293710.db2.gz DVNJSNQSKLAYJC-LFTMDZKFSA-N 2 0 250.430 2.789 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423542376 394294861 /nfs/dbraw/zinc/29/48/61/394294861.db2.gz AUFFBYADOMDPDZ-MOIQIXESSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423549748 394296415 /nfs/dbraw/zinc/29/64/15/394296415.db2.gz IEELVYMHCGYRLX-JQFCIGGWSA-N 2 0 258.409 2.910 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423556850 394297345 /nfs/dbraw/zinc/29/73/45/394297345.db2.gz MUMPRPIZAGKSGP-HNNXBMFYSA-N 2 0 260.381 2.501 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423566345 394298320 /nfs/dbraw/zinc/29/83/20/394298320.db2.gz UESVRNZETRZBLU-MRXNPFEDSA-N 2 0 260.381 2.501 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423570692 394299057 /nfs/dbraw/zinc/29/90/57/394299057.db2.gz WXDVDWKUEFBLHM-LLVKDONJSA-N 2 0 266.335 2.925 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1F ZINC000423574307 394299119 /nfs/dbraw/zinc/29/91/19/394299119.db2.gz ZQHQMIILHCFLFV-LBPRGKRZSA-N 2 0 278.371 2.795 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493917015 394336499 /nfs/dbraw/zinc/33/64/99/394336499.db2.gz OKANHYPWQSRSFG-DOTOQJQBSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000157362307 394344235 /nfs/dbraw/zinc/34/42/35/394344235.db2.gz RJFGZZQNDXKRCF-HOTGVXAUSA-N 2 0 278.444 2.516 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000157454949 394346218 /nfs/dbraw/zinc/34/62/18/394346218.db2.gz JCZPSMJDQAPKMG-ZIAGYGMSSA-N 2 0 264.388 2.688 20 0 CFADRP CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451021096 394347645 /nfs/dbraw/zinc/34/76/45/394347645.db2.gz BDKMDFIYQWDXSF-KGLIPLIRSA-N 2 0 277.412 2.789 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCN(C)C1)CCC2 ZINC000158219354 394355874 /nfs/dbraw/zinc/35/58/74/394355874.db2.gz LHUHPLAHXSQZIG-CHWSQXEVSA-N 2 0 279.453 2.760 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000158228248 394356346 /nfs/dbraw/zinc/35/63/46/394356346.db2.gz JBKTVSIIMSKZRG-WMLDXEAASA-N 2 0 290.476 2.948 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cncc(F)c1 ZINC000494611109 394360173 /nfs/dbraw/zinc/36/01/73/394360173.db2.gz HVELOSVKBGHRNK-CQSZACIVSA-N 2 0 279.403 2.965 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2cncc(F)c2)CC1 ZINC000494611490 394360250 /nfs/dbraw/zinc/36/02/50/394360250.db2.gz JRQFOHYIQLDDEE-UHFFFAOYSA-N 2 0 279.403 2.822 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cncc(F)c2)C1 ZINC000494616001 394360671 /nfs/dbraw/zinc/36/06/71/394360671.db2.gz XSYHRQBZOQRNJV-CQSZACIVSA-N 2 0 279.403 2.822 20 0 CFADRP CC[C@@H]1C[C@H](C)C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500128287 394365880 /nfs/dbraw/zinc/36/58/80/394365880.db2.gz XXCRVKNJZKSDPT-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000164125707 394369260 /nfs/dbraw/zinc/36/92/60/394369260.db2.gz MNEZPEUEHRBEEZ-BHYGNILZSA-N 2 0 275.440 2.894 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H]2CCC[C@H]21 ZINC000453383785 394393475 /nfs/dbraw/zinc/39/34/75/394393475.db2.gz MOURHLMRGNLXBG-HRCADAONSA-N 2 0 294.483 2.780 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000519692926 394375216 /nfs/dbraw/zinc/37/52/16/394375216.db2.gz JRNIGSLRSAYGDO-MRXNPFEDSA-N 2 0 269.392 2.713 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000521859076 394381568 /nfs/dbraw/zinc/38/15/68/394381568.db2.gz XNXBZOVEWUNTCY-LSDHHAIUSA-N 2 0 268.351 2.757 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CCc1ccccc1F ZINC000521858955 394381577 /nfs/dbraw/zinc/38/15/77/394381577.db2.gz FMRNHEJFFJJFJA-CYBMUJFWSA-N 2 0 252.377 2.736 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000684963895 542880017 /nfs/dbraw/zinc/88/00/17/542880017.db2.gz PPGGGANUBXXFOD-QGZVFWFLSA-N 2 0 285.435 2.923 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC000453342850 394387903 /nfs/dbraw/zinc/38/79/03/394387903.db2.gz HZMUEUBSIFTGFE-UYTSQGDYSA-N 2 0 259.397 2.748 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000178408717 394388029 /nfs/dbraw/zinc/38/80/29/394388029.db2.gz FEYBTXIKHXQIRO-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393756 394395619 /nfs/dbraw/zinc/39/56/19/394395619.db2.gz GFMFUEHZQMPFST-CYBMUJFWSA-N 2 0 250.386 2.675 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393300 394395809 /nfs/dbraw/zinc/39/58/09/394395809.db2.gz FVPUUSSGGAKQTJ-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527698739 394398398 /nfs/dbraw/zinc/39/83/98/394398398.db2.gz BZXHIOMXTWMMSJ-ZLIFDBKOSA-N 2 0 262.441 2.885 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)n1 ZINC000453407588 394398826 /nfs/dbraw/zinc/39/88/26/394398826.db2.gz SCRHPQOLRYVNCK-HNNXBMFYSA-N 2 0 292.471 2.859 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453412696 394399752 /nfs/dbraw/zinc/39/97/52/394399752.db2.gz WHNRJQDZEITMAO-FVQBIDKESA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](CCCC1CCCCC1)CCCN1CC[NH+](C)CC1 ZINC000685458405 542916529 /nfs/dbraw/zinc/91/65/29/542916529.db2.gz JJAMAKZMQJLATJ-UHFFFAOYSA-N 2 0 295.515 2.916 20 0 CFADRP c1ccc2c(c1)ccnc2NCCC[NH+]1CCCCC1 ZINC000527835516 394414838 /nfs/dbraw/zinc/41/48/38/394414838.db2.gz WECIKGAYXPWYOK-UHFFFAOYSA-N 2 0 269.392 2.945 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CC(F)(F)C1 ZINC000529608528 394415007 /nfs/dbraw/zinc/41/50/07/394415007.db2.gz MTQQWSXQWULCAO-JTQLQIEISA-N 2 0 265.307 2.858 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC23CC3)[C@H](C)C1 ZINC000527866908 394419110 /nfs/dbraw/zinc/41/91/10/394419110.db2.gz QKFJZHVHZRDFSM-NCOADZHNSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000529670599 394419376 /nfs/dbraw/zinc/41/93/76/394419376.db2.gz VDGZJXOGIQYOJV-WMLDXEAASA-N 2 0 288.435 2.930 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)[C@]1(C)CCCO1 ZINC000527944352 394429521 /nfs/dbraw/zinc/42/95/21/394429521.db2.gz CUFQDYITXIAHJT-UAGQMJEPSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccnc1 ZINC000528015499 394439387 /nfs/dbraw/zinc/43/93/87/394439387.db2.gz XZWJOALBBLCAAJ-XJKSGUPXSA-N 2 0 259.397 2.749 20 0 CFADRP Fc1cccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000530222228 394488355 /nfs/dbraw/zinc/48/83/55/394488355.db2.gz HBVXERNSCJSTCC-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000530244707 394494860 /nfs/dbraw/zinc/49/48/60/394494860.db2.gz MXWQPCNTYAFBEH-HZSPNIEDSA-N 2 0 292.423 2.743 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530249072 394496879 /nfs/dbraw/zinc/49/68/79/394496879.db2.gz TWZFKDHTVLVQAB-HNNXBMFYSA-N 2 0 294.464 2.647 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000536839035 394572768 /nfs/dbraw/zinc/57/27/68/394572768.db2.gz MZSQSQWILNPUPN-LZWOXQAQSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000537609578 394586285 /nfs/dbraw/zinc/58/62/85/394586285.db2.gz LRRXUUIJZDVBDA-UHFFFAOYSA-N 2 0 290.451 2.731 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCc2cccs2)CC[N@@H+]1C ZINC000537952658 394595953 /nfs/dbraw/zinc/59/59/53/394595953.db2.gz NVOARGKZHFULOK-QWHCGFSZSA-N 2 0 252.427 2.753 20 0 CFADRP C[C@H](C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C)Cc1ccccc1 ZINC000543446792 394730310 /nfs/dbraw/zinc/73/03/10/394730310.db2.gz LQYYUYKBFQSYEW-MPGHIAIKSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000543056911 394720958 /nfs/dbraw/zinc/72/09/58/394720958.db2.gz DUBPHKBJAPBYDW-ZFWWWQNUSA-N 2 0 266.454 2.953 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000543089105 394721951 /nfs/dbraw/zinc/72/19/51/394721951.db2.gz PBRHEGDKYNGLMG-CQSZACIVSA-N 2 0 296.480 2.504 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000544847270 394772026 /nfs/dbraw/zinc/77/20/26/394772026.db2.gz LHBIEXLZBYEHTC-UONOGXRCSA-N 2 0 269.392 2.860 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000685657891 542939602 /nfs/dbraw/zinc/93/96/02/542939602.db2.gz KBMBZCXUMMWISD-OAHLLOKOSA-N 2 0 283.504 2.959 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1OC ZINC000165978493 542942954 /nfs/dbraw/zinc/94/29/54/542942954.db2.gz FWHNBPGOULWDCA-ZDUSSCGKSA-N 2 0 292.423 2.524 20 0 CFADRP Fc1ccc(F)c(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166762747 542967048 /nfs/dbraw/zinc/96/70/48/542967048.db2.gz BZCKHXRYSNVIPZ-HUUCEWRRSA-N 2 0 280.362 2.724 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000547979486 394900778 /nfs/dbraw/zinc/90/07/78/394900778.db2.gz XTMZNVAROYWDDD-WBMJQRKESA-N 2 0 298.390 2.507 20 0 CFADRP FC[C@H]1CCC[N@@H+]1CCCC[NH+]1CCC[C@H]1CF ZINC000555696674 394981738 /nfs/dbraw/zinc/98/17/38/394981738.db2.gz CAJVEYLGPDVNMS-OKILXGFUSA-N 2 0 260.372 2.634 20 0 CFADRP c1c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000556935006 395026077 /nfs/dbraw/zinc/02/60/77/395026077.db2.gz KNNWNKPEBBJCHR-AWEZNQCLSA-N 2 0 284.407 2.556 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000558242014 395055514 /nfs/dbraw/zinc/05/55/14/395055514.db2.gz WQXZMORCRNEKAS-BRWVUGGUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000648424464 395138696 /nfs/dbraw/zinc/13/86/96/395138696.db2.gz ZRNWRWPEQFGZLS-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000027312476 542988484 /nfs/dbraw/zinc/98/84/84/542988484.db2.gz ZXZGSTIBDLJCKH-UHFFFAOYSA-N 2 0 262.397 2.613 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000648450614 395148905 /nfs/dbraw/zinc/14/89/05/395148905.db2.gz WEZDDBFBHYHLAZ-FUHWJXTLSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000180548662 543014627 /nfs/dbraw/zinc/01/46/27/543014627.db2.gz BWXURAUFXSJNPA-LLVKDONJSA-N 2 0 290.386 2.770 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000180133939 543010382 /nfs/dbraw/zinc/01/03/82/543010382.db2.gz JWJQJKVMOZSDGC-CQSZACIVSA-N 2 0 278.444 2.881 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000647213064 395230497 /nfs/dbraw/zinc/23/04/97/395230497.db2.gz LDUFFAAIMVLGMW-UHFFFAOYSA-N 2 0 292.471 2.895 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647217561 395233306 /nfs/dbraw/zinc/23/33/06/395233306.db2.gz WRMKWJKXXXOZFS-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CO1 ZINC000647168896 395194694 /nfs/dbraw/zinc/19/46/94/395194694.db2.gz QEXYIBOEXKIVDH-MAUKXSAKSA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000648563405 395199401 /nfs/dbraw/zinc/19/94/01/395199401.db2.gz SPIXGCBDKKTFNV-LBDPXKHJSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647179744 395204024 /nfs/dbraw/zinc/20/40/24/395204024.db2.gz NEVCOAYMKHWTEH-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000648744774 395294983 /nfs/dbraw/zinc/29/49/83/395294983.db2.gz PMSUOVZHLCJTEF-IAGOWNOFSA-N 2 0 284.488 2.740 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000181547431 543022674 /nfs/dbraw/zinc/02/26/74/543022674.db2.gz PFVKJJFWSYCNEL-UHFFFAOYSA-N 2 0 260.425 2.954 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]CC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000647248928 395256357 /nfs/dbraw/zinc/25/63/57/395256357.db2.gz POCXGKDALAODTL-CVEARBPZSA-N 2 0 260.425 2.968 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647485589 395357237 /nfs/dbraw/zinc/35/72/37/395357237.db2.gz GUFZQSVXPXBUQD-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647496744 395359939 /nfs/dbraw/zinc/35/99/39/395359939.db2.gz MPJOETGYIZVKQB-UKRRQHHQSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@@H]1[NH3+] ZINC000647497634 395360581 /nfs/dbraw/zinc/36/05/81/395360581.db2.gz OEWKTPIGUALANY-PBHICJAKSA-N 2 0 269.392 2.794 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543493 395384265 /nfs/dbraw/zinc/38/42/65/395384265.db2.gz OKJCJRCBXREPGV-KBPBESRZSA-N 2 0 279.453 2.663 20 0 CFADRP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542677 395384288 /nfs/dbraw/zinc/38/42/88/395384288.db2.gz AAUXGVKEJMNJKS-CVEARBPZSA-N 2 0 273.424 2.602 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000647542572 395384819 /nfs/dbraw/zinc/38/48/19/395384819.db2.gz JQYZTZPBJLKDOK-HNNXBMFYSA-N 2 0 286.419 2.628 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543301 395384822 /nfs/dbraw/zinc/38/48/22/395384822.db2.gz KWBSILAUBGHAIY-KBPBESRZSA-N 2 0 293.480 2.917 20 0 CFADRP c1cc2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2cn1 ZINC000647544530 395386025 /nfs/dbraw/zinc/38/60/25/395386025.db2.gz MJFBVQOARCRBIA-HDICACEKSA-N 2 0 281.403 2.666 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000647545475 395386393 /nfs/dbraw/zinc/38/63/93/395386393.db2.gz RPJSOQJIWSOCBK-CVEARBPZSA-N 2 0 294.483 2.890 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647547370 395386910 /nfs/dbraw/zinc/38/69/10/395386910.db2.gz UPFWHPCZZCDPJW-KKBFJZEXSA-N 2 0 285.435 2.624 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2c(c1)NCCC2 ZINC000647547756 395387074 /nfs/dbraw/zinc/38/70/74/395387074.db2.gz CDALWPLGPCOJOW-VNQPRFMTSA-N 2 0 285.435 2.522 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1cccs1 ZINC000647550348 395389471 /nfs/dbraw/zinc/38/94/71/395389471.db2.gz MPVWTWGJGZGYOI-GBJTYRQASA-N 2 0 278.465 2.904 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000647551010 395389495 /nfs/dbraw/zinc/38/94/95/395389495.db2.gz SNMXWUTUMMIXTL-HZSPNIEDSA-N 2 0 293.480 2.787 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647550375 395389819 /nfs/dbraw/zinc/38/98/19/395389819.db2.gz NLKIMIFWOBUBPD-NQNKBUKLSA-N 2 0 294.483 2.805 20 0 CFADRP Fc1cccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CCC2)c1 ZINC000647553055 395392371 /nfs/dbraw/zinc/39/23/71/395392371.db2.gz YBTDQVRCDGBXIF-ZDUSSCGKSA-N 2 0 262.372 2.794 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479284 395352963 /nfs/dbraw/zinc/35/29/63/395352963.db2.gz AMHMXCPFIVGTDJ-ROUUACIJSA-N 2 0 287.451 2.787 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480499 395353074 /nfs/dbraw/zinc/35/30/74/395353074.db2.gz POCWPKJJPVNWRF-RDJZCZTQSA-N 2 0 287.451 2.717 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1C ZINC000647479701 395353176 /nfs/dbraw/zinc/35/31/76/395353176.db2.gz QELKFCDXEWJDLB-SJORKVTESA-N 2 0 288.435 2.968 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000647868540 395447625 /nfs/dbraw/zinc/44/76/25/395447625.db2.gz FZCIDKCQECWLMJ-MRXNPFEDSA-N 2 0 264.413 2.645 20 0 CFADRP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000647877545 395449906 /nfs/dbraw/zinc/44/99/06/395449906.db2.gz URKMEWCOZJAHMZ-CQSZACIVSA-N 2 0 250.361 2.646 20 0 CFADRP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000647878671 395450021 /nfs/dbraw/zinc/45/00/21/395450021.db2.gz WYUALOBIFGWCNF-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC000647876825 395450095 /nfs/dbraw/zinc/45/00/95/395450095.db2.gz APJUOZDUCVVQBT-ZDUSSCGKSA-N 2 0 297.240 2.881 20 0 CFADRP CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879883 395450112 /nfs/dbraw/zinc/45/01/12/395450112.db2.gz SYBJXPQXLWGSQT-YPMHNXCESA-N 2 0 250.411 2.667 20 0 CFADRP C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000647881209 395450886 /nfs/dbraw/zinc/45/08/86/395450886.db2.gz SLYVNNANAAVIGR-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP c1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647883448 395451664 /nfs/dbraw/zinc/45/16/64/395451664.db2.gz QIAWFGBCPTYAFF-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP Clc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647881533 395451708 /nfs/dbraw/zinc/45/17/08/395451708.db2.gz DPUKNHZNQAPLAB-UKRRQHHQSA-N 2 0 278.827 2.956 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000647884365 395452294 /nfs/dbraw/zinc/45/22/94/395452294.db2.gz HSUQXBOWWQWKKK-UHFFFAOYSA-N 2 0 268.351 2.754 20 0 CFADRP c1cc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000647989627 395473649 /nfs/dbraw/zinc/47/36/49/395473649.db2.gz PFZZTFYYJNQPFC-GFCCVEGCSA-N 2 0 250.411 2.537 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CCC1CCOCC1 ZINC000647886644 395453017 /nfs/dbraw/zinc/45/30/17/395453017.db2.gz DXQBZEQWVSOCGZ-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886032 395453243 /nfs/dbraw/zinc/45/32/43/395453243.db2.gz HKZTXGJXNXDQNN-XJKCOSOUSA-N 2 0 262.372 2.818 20 0 CFADRP C[C@@H]1SCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000647886068 395453270 /nfs/dbraw/zinc/45/32/70/395453270.db2.gz NIGFGBDUJGIKTA-LZWOXQAQSA-N 2 0 276.449 2.775 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)C1(C)C ZINC000647886755 395453475 /nfs/dbraw/zinc/45/34/75/395453475.db2.gz QDAHLWVSLTYIIV-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000647888103 395453708 /nfs/dbraw/zinc/45/37/08/395453708.db2.gz MMISYJZQVLEFOC-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP c1cc2c(s1)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647988819 395473696 /nfs/dbraw/zinc/47/36/96/395473696.db2.gz SMVWWRJIPAGGHC-UHFFFAOYSA-N 2 0 264.438 2.886 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647890041 395453934 /nfs/dbraw/zinc/45/39/34/395453934.db2.gz IRGHWLHNQPRTSB-DOTOQJQBSA-N 2 0 278.415 2.934 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCC2CC[NH2+]CC2)C1 ZINC000647892258 395454869 /nfs/dbraw/zinc/45/48/69/395454869.db2.gz JKYSJNMRQXYQBO-YJBOKZPZSA-N 2 0 296.499 2.933 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000647934682 395460436 /nfs/dbraw/zinc/46/04/36/395460436.db2.gz MHZPDBFXGIUCMS-MNOVXSKESA-N 2 0 252.324 2.778 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000647934597 395460927 /nfs/dbraw/zinc/46/09/27/395460927.db2.gz KBPRDAXYQXWWLG-GOEBONIOSA-N 2 0 264.388 2.818 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000647992074 395474414 /nfs/dbraw/zinc/47/44/14/395474414.db2.gz BEDURASABOXDIO-FGTMMUONSA-N 2 0 272.436 2.987 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1 ZINC000647959861 395466130 /nfs/dbraw/zinc/46/61/30/395466130.db2.gz QVILYTGBYXDLTB-IAGOWNOFSA-N 2 0 282.472 2.732 20 0 CFADRP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC(C)(C)C ZINC000647966657 395469226 /nfs/dbraw/zinc/46/92/26/395469226.db2.gz CSABWOISYSMERL-HNNXBMFYSA-N 2 0 272.477 2.692 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970625 395470497 /nfs/dbraw/zinc/47/04/97/395470497.db2.gz GROFPTLWBSAAAN-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978595 395471810 /nfs/dbraw/zinc/47/18/10/395471810.db2.gz VGAHUBWPNSIFKI-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978119 395471845 /nfs/dbraw/zinc/47/18/45/395471845.db2.gz MZMCFVICOREAKS-SJORKVTESA-N 2 0 282.472 2.761 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786580 395428178 /nfs/dbraw/zinc/42/81/78/395428178.db2.gz SIJYUGZVKWBQDK-OKZBNKHCSA-N 2 0 272.436 2.769 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788346 395428718 /nfs/dbraw/zinc/42/87/18/395428718.db2.gz ICINMOGMUDULNG-WCXIOVBPSA-N 2 0 288.435 2.740 20 0 CFADRP c1ccc(CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788736 395428769 /nfs/dbraw/zinc/42/87/69/395428769.db2.gz PNBGYSIMBCOEEY-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647791546 395429518 /nfs/dbraw/zinc/42/95/18/395429518.db2.gz HAYVAKPDANJBKY-OFQRWUPVSA-N 2 0 286.419 2.662 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647790087 395429832 /nfs/dbraw/zinc/42/98/32/395429832.db2.gz RGHGTHJJHABDSQ-KLHDSHLOSA-N 2 0 286.419 2.530 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647791622 395429857 /nfs/dbraw/zinc/42/98/57/395429857.db2.gz JDBPGDVHCVTMSZ-IXDOHACOSA-N 2 0 288.435 2.660 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647793399 395430236 /nfs/dbraw/zinc/43/02/36/395430236.db2.gz WNTHSYZWWOWTEJ-RVMXOQNASA-N 2 0 258.356 2.542 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647793278 395430263 /nfs/dbraw/zinc/43/02/63/395430263.db2.gz RSMQLIXKGDVSLS-DRPJVOAASA-N 2 0 276.424 2.887 20 0 CFADRP Fc1ccccc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792294 395430376 /nfs/dbraw/zinc/43/03/76/395430376.db2.gz YPSSIPVKUMQWJC-MELADBBJSA-N 2 0 274.383 2.793 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647792019 395430615 /nfs/dbraw/zinc/43/06/15/395430615.db2.gz RNBWDGZCDNJGHC-GVDBMIGSSA-N 2 0 258.409 2.515 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647794069 395431118 /nfs/dbraw/zinc/43/11/18/395431118.db2.gz PZUTUMQNTJVOMG-ZKXLYKBJSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794731 395431132 /nfs/dbraw/zinc/43/11/32/395431132.db2.gz BXKVWIYZTBPHBT-MTSZKFMLSA-N 2 0 280.456 2.558 20 0 CFADRP c1cc2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000647796500 395432190 /nfs/dbraw/zinc/43/21/90/395432190.db2.gz BGOPZANSPBEURY-BRWVUGGUSA-N 2 0 283.419 2.688 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000647797043 395432885 /nfs/dbraw/zinc/43/28/85/395432885.db2.gz VTSVFUKZZIMSSB-BRWVUGGUSA-N 2 0 281.403 2.713 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647800389 395433612 /nfs/dbraw/zinc/43/36/12/395433612.db2.gz AGDSLQNPTWUSTC-UWVGGRQHSA-N 2 0 271.355 2.791 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000647798885 395433691 /nfs/dbraw/zinc/43/36/91/395433691.db2.gz YVCSWELVDIWTHF-ARFHVFGLSA-N 2 0 280.456 2.561 20 0 CFADRP F[C@@H]1CCC[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000647799539 395433783 /nfs/dbraw/zinc/43/37/83/395433783.db2.gz JNQVXNVADPGUEQ-OLZOCXBDSA-N 2 0 281.375 2.512 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647799978 395433952 /nfs/dbraw/zinc/43/39/52/395433952.db2.gz VTLNOCFHCZEHGO-PGRBJRSLSA-N 2 0 274.383 2.659 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647802823 395435719 /nfs/dbraw/zinc/43/57/19/395435719.db2.gz VGHDFPVJZNBLKF-NEPJUHHUSA-N 2 0 250.361 2.920 20 0 CFADRP C(C[NH2+][C@H]1CCCC12CCOCC2)CC1CC[NH2+]CC1 ZINC000647802657 395435861 /nfs/dbraw/zinc/43/58/61/395435861.db2.gz SAFFTGLBWNRFCM-INIZCTEOSA-N 2 0 280.456 2.705 20 0 CFADRP c1ccc(OCCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814503 395438904 /nfs/dbraw/zinc/43/89/04/395438904.db2.gz QWKBHSUXHXXNRE-UHFFFAOYSA-N 2 0 274.408 2.672 20 0 CFADRP C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)CC1CCOCC1 ZINC000647814743 395439066 /nfs/dbraw/zinc/43/90/66/395439066.db2.gz COMNXSVCRWZWCF-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417791 395490732 /nfs/dbraw/zinc/49/07/32/395490732.db2.gz HCDMIMQRFYCRLX-LSDHHAIUSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417790 395490912 /nfs/dbraw/zinc/49/09/12/395490912.db2.gz HCDMIMQRFYCRLX-HUUCEWRRSA-N 2 0 293.480 2.706 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072231 395497316 /nfs/dbraw/zinc/49/73/16/395497316.db2.gz RXRLRPSIEWCFCD-SJORKVTESA-N 2 0 292.467 2.775 20 0 CFADRP C[C@H]1CC[N@H+](CCOc2ccc(C3=CC[NH2+]CC3)cc2)C1 ZINC000649442918 395498248 /nfs/dbraw/zinc/49/82/48/395498248.db2.gz CKNDDRQARZUALG-HNNXBMFYSA-N 2 0 286.419 2.784 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000037209339 543027455 /nfs/dbraw/zinc/02/74/55/543027455.db2.gz MXLKSJHVNWSVBR-CQSZACIVSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCc1ccco1)C1CC[NH+](C)CC1 ZINC000037221273 543027665 /nfs/dbraw/zinc/02/76/65/543027665.db2.gz XCKMXDKZYYFYGK-UONOGXRCSA-N 2 0 264.413 2.921 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000037901165 543032494 /nfs/dbraw/zinc/03/24/94/543032494.db2.gz RVTVSXJBGJUPAA-INIZCTEOSA-N 3 0 295.515 2.961 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000308745872 413080602 /nfs/dbraw/zinc/08/06/02/413080602.db2.gz RDRUMEZUTNMAMY-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000314858919 413098623 /nfs/dbraw/zinc/09/86/23/413098623.db2.gz JCLXTWAUTCZDNN-BBRMVZONSA-N 2 0 296.361 2.849 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415033878 292100088 /nfs/dbraw/zinc/10/00/88/292100088.db2.gz CFCNBKAAGGECLH-IRXDYDNUSA-N 2 0 258.409 2.959 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401124813 413160424 /nfs/dbraw/zinc/16/04/24/413160424.db2.gz KSRFWVDMTOTDSZ-FPMFFAJLSA-N 2 0 296.361 2.766 20 0 CFADRP FC1(F)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401008263 413160665 /nfs/dbraw/zinc/16/06/65/413160665.db2.gz QFONPAXRNJBOHV-NTZNESFSSA-N 2 0 258.356 2.542 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000401004471 413161230 /nfs/dbraw/zinc/16/12/30/413161230.db2.gz CXAZLPXUUXCLIY-SOUVJXGZSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401021341 413161507 /nfs/dbraw/zinc/16/15/07/413161507.db2.gz KZQWBOPHEJKIOM-DGXTUMSLSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401038239 413161569 /nfs/dbraw/zinc/16/15/69/413161569.db2.gz SGZBTIJNIQGFEB-YIDVYQOGSA-N 2 0 250.430 2.790 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000401162428 413163934 /nfs/dbraw/zinc/16/39/34/413163934.db2.gz UBVHTRHTRVVRLH-JHJVBQTASA-N 2 0 282.790 2.957 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000212698201 397618500 /nfs/dbraw/zinc/61/85/00/397618500.db2.gz MOAXITDDRMDURO-CHWSQXEVSA-N 2 0 272.314 2.646 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@H]1CCCC[NH2+]1 ZINC000650759453 397885173 /nfs/dbraw/zinc/88/51/73/397885173.db2.gz JWDHXOFQXFWBKD-BHYGNILZSA-N 2 0 287.451 2.924 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccccn1 ZINC000650758092 397885302 /nfs/dbraw/zinc/88/53/02/397885302.db2.gz ISQYGCMYFFBXLX-CYBMUJFWSA-N 2 0 255.365 2.652 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759651 397886051 /nfs/dbraw/zinc/88/60/51/397886051.db2.gz NOJVGRQRZNKPTN-HRCADAONSA-N 2 0 273.424 2.520 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762692 397887008 /nfs/dbraw/zinc/88/70/08/397887008.db2.gz HVKGTWWBGVZNQO-CXAGYDPISA-N 2 0 258.409 2.899 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000650703682 397859759 /nfs/dbraw/zinc/85/97/59/397859759.db2.gz LLRNJQAGLARQJA-CQSZACIVSA-N 2 0 292.398 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3CCC4)C[C@H]21 ZINC000650702991 397859807 /nfs/dbraw/zinc/85/98/07/397859807.db2.gz DBMAJXMSYYKTFP-CGTJXYLNSA-N 2 0 270.420 2.735 20 0 CFADRP [NH3+]CCC[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000650704066 397860774 /nfs/dbraw/zinc/86/07/74/397860774.db2.gz FNTXEEGTAXSOEW-UHFFFAOYSA-N 2 0 258.409 2.606 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC000650708390 397861664 /nfs/dbraw/zinc/86/16/64/397861664.db2.gz ZBPSNWLGLIMUFO-BBWFWOEESA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(OC(F)F)c1)C2 ZINC000650709162 397861882 /nfs/dbraw/zinc/86/18/82/397861882.db2.gz HWGBJQFMTPWTST-BBRMVZONSA-N 2 0 296.361 2.849 20 0 CFADRP COc1c(C)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000650709210 397861955 /nfs/dbraw/zinc/86/19/55/397861955.db2.gz JSCHHDKYZYOYLC-WMZOPIPTSA-N 2 0 288.435 2.873 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650763494 397887931 /nfs/dbraw/zinc/88/79/31/397887931.db2.gz BQYQWHLHYHDGKO-QGZVFWFLSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)[C@H]1CC[NH3+] ZINC000650711394 397863816 /nfs/dbraw/zinc/86/38/16/397863816.db2.gz SEFHLHBLHSDOJU-ZFWWWQNUSA-N 2 0 278.444 2.587 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)[C@@H]1CC[NH3+] ZINC000650711039 397863940 /nfs/dbraw/zinc/86/39/40/397863940.db2.gz GVRUNWJJTBFYSF-XJKSGUPXSA-N 2 0 286.423 2.523 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)[C@@H]1CC[NH3+] ZINC000650711525 397864223 /nfs/dbraw/zinc/86/42/23/397864223.db2.gz WIPXIHCCKQEWEP-SUMWQHHRSA-N 2 0 299.418 2.890 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650712248 397865024 /nfs/dbraw/zinc/86/50/24/397865024.db2.gz XREDLMIZJWCYNE-XJKSGUPXSA-N 2 0 278.444 2.722 20 0 CFADRP CCO[C@@H]1C[N@H+](C[C@H](C)c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000650714627 397865486 /nfs/dbraw/zinc/86/54/86/397865486.db2.gz SVUSACGIEZQZKF-JGGQBBKZSA-N 2 0 296.842 2.739 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000650715192 397866321 /nfs/dbraw/zinc/86/63/21/397866321.db2.gz UBBYGNNLNVJINK-CQSZACIVSA-N 2 0 250.361 2.572 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715205 397866732 /nfs/dbraw/zinc/86/67/32/397866732.db2.gz UGVVEKPUXDHLQV-PVAVHDDUSA-N 2 0 287.451 2.924 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]C2Cc3ccccc3C2)c(F)c1 ZINC000650717546 397867664 /nfs/dbraw/zinc/86/76/64/397867664.db2.gz DYZUGYAMXMTQEH-UHFFFAOYSA-N 2 0 270.351 2.541 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc2cccc(C)n12 ZINC000650719524 397869100 /nfs/dbraw/zinc/86/91/00/397869100.db2.gz SMLIALNCEIPPAT-UHFFFAOYSA-N 2 0 294.402 2.652 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000650763659 397888478 /nfs/dbraw/zinc/88/84/78/397888478.db2.gz GOSSXTWMMVDHGO-HZPDHXFCSA-N 2 0 250.430 2.935 20 0 CFADRP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[NH2+]C)cn1 ZINC000650720190 397869243 /nfs/dbraw/zinc/86/92/43/397869243.db2.gz HPTJFVVLNFUMTE-UHFFFAOYSA-N 2 0 298.434 2.547 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C)nc2ccccn21 ZINC000650719638 397869291 /nfs/dbraw/zinc/86/92/91/397869291.db2.gz XAJIQBHITYABGH-UHFFFAOYSA-N 2 0 294.402 2.652 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000650722079 397870389 /nfs/dbraw/zinc/87/03/89/397870389.db2.gz KAYSJDVHTMKDEY-IXDOHACOSA-N 2 0 292.398 2.687 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000650763696 397888598 /nfs/dbraw/zinc/88/85/98/397888598.db2.gz HFDFXXIBAMLXNA-UHFFFAOYSA-N 2 0 280.456 2.705 20 0 CFADRP CCC(CC)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723730 397871071 /nfs/dbraw/zinc/87/10/71/397871071.db2.gz SLDQCACHPBAQER-BZUAXINKSA-N 2 0 268.445 2.783 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC2CCCCC2)C1 ZINC000650723544 397871677 /nfs/dbraw/zinc/87/16/77/397871677.db2.gz PYCCFGNORKYAAJ-BRWVUGGUSA-N 2 0 280.456 2.928 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650764127 397888673 /nfs/dbraw/zinc/88/86/73/397888673.db2.gz QQRVAZSWJHQPPX-HNNXBMFYSA-N 2 0 290.451 2.996 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(CC)CC ZINC000650745706 397878757 /nfs/dbraw/zinc/87/87/57/397878757.db2.gz MBRLJEXLPVFATG-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H](C)C2 ZINC000650745213 397878775 /nfs/dbraw/zinc/87/87/75/397878775.db2.gz BSGLCKWWLNVIKT-CJNGLKHVSA-N 2 0 258.409 2.947 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(F)c1F ZINC000650745507 397878789 /nfs/dbraw/zinc/87/87/89/397878789.db2.gz IGFUEZHXCIQNSS-SNVBAGLBSA-N 2 0 254.324 2.744 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CCC2(C[NH3+])CC2)C2CC2)c1 ZINC000650745208 397878975 /nfs/dbraw/zinc/87/89/75/397878975.db2.gz BQCTUFHYHQIRGL-KRWDZBQOSA-N 2 0 288.435 2.735 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)C1CCC(F)(F)CC1 ZINC000650746775 397879633 /nfs/dbraw/zinc/87/96/33/397879633.db2.gz KWNDNYUILGHOOS-LLVKDONJSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(C2CCCC2)c1 ZINC000650746386 397879753 /nfs/dbraw/zinc/87/97/53/397879753.db2.gz BAMGBWYSUMRJJQ-CYBMUJFWSA-N 2 0 276.428 2.778 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747588 397879971 /nfs/dbraw/zinc/87/99/71/397879971.db2.gz CYWQLEPCXDTBQY-BBRMVZONSA-N 2 0 296.418 2.536 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@H]1OC ZINC000650754338 397883746 /nfs/dbraw/zinc/88/37/46/397883746.db2.gz GVERPSCOMGBHJR-HZPDHXFCSA-N 2 0 294.414 2.968 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c(F)c1 ZINC000650756229 397884516 /nfs/dbraw/zinc/88/45/16/397884516.db2.gz XCKJEWHKTXTLEZ-GDBMZVCRSA-N 2 0 262.372 2.953 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c(F)c1 ZINC000650756230 397884556 /nfs/dbraw/zinc/88/45/56/397884556.db2.gz XCKJEWHKTXTLEZ-GOEBONIOSA-N 2 0 262.372 2.953 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C12CCC2 ZINC000423172120 285862803 /nfs/dbraw/zinc/86/28/03/285862803.db2.gz RKSBGDGGGCJOGT-FXUDXRNXSA-N 2 0 280.456 2.844 20 0 CFADRP C[NH+](C)CC1CCN(c2nccc3c(N)cccc32)CC1 ZINC000663398412 413183590 /nfs/dbraw/zinc/18/35/90/413183590.db2.gz VUISNPCHXNAGRQ-UHFFFAOYSA-N 2 0 284.407 2.595 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1OC ZINC000404301006 413197617 /nfs/dbraw/zinc/19/76/17/413197617.db2.gz ZKMSIOFAWKTNOG-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1C ZINC000404422220 413202932 /nfs/dbraw/zinc/20/29/32/413202932.db2.gz JGPMLWFUHWWQBF-LRDDRELGSA-N 2 0 291.439 2.656 20 0 CFADRP C[C@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)[C@@H]1CC[NH3+] ZINC000404362915 413203049 /nfs/dbraw/zinc/20/30/49/413203049.db2.gz GDHCOMZBSKDKNN-WMLDXEAASA-N 2 0 288.435 2.613 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1C ZINC000404425305 413208258 /nfs/dbraw/zinc/20/82/58/413208258.db2.gz LGTHSCDEMMUOKQ-XJKSGUPXSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000656782005 413220536 /nfs/dbraw/zinc/22/05/36/413220536.db2.gz CGRCOAPLCYCVSC-YQFWSFKMSA-N 2 0 273.424 2.695 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466536 413221323 /nfs/dbraw/zinc/22/13/23/413221323.db2.gz VEFJAYARLLIZIW-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467450 413223090 /nfs/dbraw/zinc/22/30/90/413223090.db2.gz FYVGFQHEHFCZFP-AEFFLSMTSA-N 2 0 294.483 2.903 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367357073 286028751 /nfs/dbraw/zinc/02/87/51/286028751.db2.gz TXEFJKIHEGUTQM-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ncccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656785542 413223777 /nfs/dbraw/zinc/22/37/77/413223777.db2.gz LTRAPIYSMVXPSY-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785525 413224736 /nfs/dbraw/zinc/22/47/36/413224736.db2.gz LKPBGIGCGAQBRI-OAHLLOKOSA-N 2 0 293.480 2.972 20 0 CFADRP CCc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786409 413225755 /nfs/dbraw/zinc/22/57/55/413225755.db2.gz MFLIWEYCTILENN-CQSZACIVSA-N 2 0 293.480 2.917 20 0 CFADRP CCOCCC1(C[NH2+]C2CCC([NH3+])CC2)CCCC1 ZINC000415084248 286047813 /nfs/dbraw/zinc/04/78/13/286047813.db2.gz GLBUPIVDBDBXNB-UHFFFAOYSA-N 2 0 268.445 2.833 20 0 CFADRP CCOCCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000423006516 286049918 /nfs/dbraw/zinc/04/99/18/286049918.db2.gz VPAPLJMUYCOBBL-DOTOQJQBSA-N 2 0 290.451 2.741 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(F)(F)F)[C@@H](C)C1 ZINC000358194131 286059350 /nfs/dbraw/zinc/05/93/50/286059350.db2.gz BFHAUNZMZVIXRH-QWHCGFSZSA-N 2 0 296.377 2.665 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467982 413228087 /nfs/dbraw/zinc/22/80/87/413228087.db2.gz JNLBUUDDZYWGLL-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423120238 292193567 /nfs/dbraw/zinc/19/35/67/292193567.db2.gz GLXWIMBDTYAKKN-OAGGEKHMSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656786790 413228502 /nfs/dbraw/zinc/22/85/02/413228502.db2.gz QOHWGCKAKPFYIO-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656791406 413235526 /nfs/dbraw/zinc/23/55/26/413235526.db2.gz FWYPWZJTCMBNBE-HRCADAONSA-N 2 0 268.445 2.641 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000356341671 155233053 /nfs/dbraw/zinc/23/30/53/155233053.db2.gz PSUMBIKPHIXADQ-AEFFLSMTSA-N 2 0 293.499 2.548 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C[C@H]2C1 ZINC000424349071 286113119 /nfs/dbraw/zinc/11/31/19/286113119.db2.gz MKQPKGCMSRVQNS-CXDZTXSLSA-N 2 0 292.467 2.797 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3(C[NH+](C)C)CCCC3)C[C@H]2C1 ZINC000424277564 286114746 /nfs/dbraw/zinc/11/47/46/286114746.db2.gz GYFPQVNWDIXUDO-GANOOXTDSA-N 2 0 294.483 2.902 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000424263261 286114776 /nfs/dbraw/zinc/11/47/76/286114776.db2.gz RNUAEVMRQQJLEY-KNCDZKKRSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663497986 413239721 /nfs/dbraw/zinc/23/97/21/413239721.db2.gz JPDLUEDGSIMJSB-OAHLLOKOSA-N 2 0 264.413 2.937 20 0 CFADRP CCOC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000423067644 286140213 /nfs/dbraw/zinc/14/02/13/286140213.db2.gz HPONXYMJKGAXLC-XJKSGUPXSA-N 2 0 279.428 2.560 20 0 CFADRP CCOC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000300567408 286170037 /nfs/dbraw/zinc/17/00/37/286170037.db2.gz FTMSTIFTIQMHPV-JYJNAYRXSA-N 2 0 262.397 2.782 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663499017 413244566 /nfs/dbraw/zinc/24/45/66/413244566.db2.gz UYVYVWQCIICPIS-ODIFPOPNSA-N 2 0 258.409 2.658 20 0 CFADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499635 413245334 /nfs/dbraw/zinc/24/53/34/413245334.db2.gz ZOLPHKQDZDTNTL-UMQBVGHOSA-N 2 0 270.420 2.739 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663499761 413246288 /nfs/dbraw/zinc/24/62/88/413246288.db2.gz MBWKKVRHSMOPAZ-OAHLLOKOSA-N 2 0 280.460 2.718 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499633 413247247 /nfs/dbraw/zinc/24/72/47/413247247.db2.gz ZOLPHKQDZDTNTL-SAGYGOJTSA-N 2 0 270.420 2.739 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423159021 286211156 /nfs/dbraw/zinc/21/11/56/286211156.db2.gz DXWVWAWNBJRJNC-KLHDSHLOSA-N 2 0 268.445 2.844 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422806957 292234738 /nfs/dbraw/zinc/23/47/38/292234738.db2.gz JCORVULMUNWAAU-JHNDHUHGSA-N 2 0 276.424 2.931 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1ccccc1F ZINC000663502340 413248590 /nfs/dbraw/zinc/24/85/90/413248590.db2.gz GZDUMIWNORLBKL-IUODEOHRSA-N 2 0 252.377 2.720 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000663504157 413251725 /nfs/dbraw/zinc/25/17/25/413251725.db2.gz VKCGPRNSPCRWSW-KRWDZBQOSA-N 2 0 258.409 2.962 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccccc2C)CC[NH2+]CC1 ZINC000423401949 292246910 /nfs/dbraw/zinc/24/69/10/292246910.db2.gz WOOFBYJIECGNMS-HNNXBMFYSA-N 2 0 276.424 2.662 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000453373913 292248535 /nfs/dbraw/zinc/24/85/35/292248535.db2.gz HHTQDQQRISBIQN-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC[NH2+]CC1 ZINC000414978813 292247297 /nfs/dbraw/zinc/24/72/97/292247297.db2.gz TZPITGOPXCHKBF-HUUCEWRRSA-N 2 0 282.472 2.807 20 0 CFADRP Cc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422824447 292255076 /nfs/dbraw/zinc/25/50/76/292255076.db2.gz HGEXSAUIEZDCJN-RYRKJORJSA-N 2 0 289.467 2.847 20 0 CFADRP Cc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422824446 292256150 /nfs/dbraw/zinc/25/61/50/292256150.db2.gz HGEXSAUIEZDCJN-NUJGCVRESA-N 2 0 289.467 2.847 20 0 CFADRP CC[C@H](C)[N@H+](C)CCNc1nccc2c(N)cccc21 ZINC000663529142 413263313 /nfs/dbraw/zinc/26/33/13/413263313.db2.gz MXOVMQFAMRHMNO-LBPRGKRZSA-N 2 0 272.396 2.959 20 0 CFADRP COCC1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459789177 292264150 /nfs/dbraw/zinc/26/41/50/292264150.db2.gz QGBMGEBYPDTXHO-QQFBHYJXSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000420298518 286332783 /nfs/dbraw/zinc/33/27/83/286332783.db2.gz HLUIMXGCAUWCGJ-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356787727 155367861 /nfs/dbraw/zinc/36/78/61/155367861.db2.gz PJOUOEICESXBGG-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367747355 292281958 /nfs/dbraw/zinc/28/19/58/292281958.db2.gz SAGKAKPVQCUOGH-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000423370716 286369976 /nfs/dbraw/zinc/36/99/76/286369976.db2.gz PSIVCGIWHCHIQJ-MELADBBJSA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423049728 286389934 /nfs/dbraw/zinc/38/99/34/286389934.db2.gz KOSZAJLOXRHJBX-UMVBOHGHSA-N 2 0 276.424 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1(CC)CC ZINC000423399786 286397824 /nfs/dbraw/zinc/39/78/24/286397824.db2.gz VBYPTAGRMCCSDV-APIJFGDWSA-N 2 0 268.445 2.830 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC000348052610 154298841 /nfs/dbraw/zinc/29/88/41/154298841.db2.gz YXLIGYOHCZYVHZ-IAGOWNOFSA-N 2 0 283.504 2.532 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348090072 154315391 /nfs/dbraw/zinc/31/53/91/154315391.db2.gz VDYWUHJUKCCUGJ-YUELXQCFSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000348127448 154330432 /nfs/dbraw/zinc/33/04/32/154330432.db2.gz RYSVRCVPCQVJEY-ARFHVFGLSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+]1CCN(CCC[NH2+]CCCC2CCCCC2)CC1 ZINC000348145925 154339398 /nfs/dbraw/zinc/33/93/98/154339398.db2.gz UEPQYYJFMHSGNG-UHFFFAOYSA-N 2 0 281.488 2.574 20 0 CFADRP COCCC1(C[NH2+]CCC[NH+](C)C)CCCCC1 ZINC000188984861 292306253 /nfs/dbraw/zinc/30/62/53/292306253.db2.gz OBEJCLGWCQAAGF-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000122360610 292308232 /nfs/dbraw/zinc/30/82/32/292308232.db2.gz XHFZBPVYBMNMFF-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422814355 286446764 /nfs/dbraw/zinc/44/67/64/286446764.db2.gz UMIXPYRGBGVVRD-QLFBSQMISA-N 2 0 256.434 2.545 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000355583279 155045937 /nfs/dbraw/zinc/04/59/37/155045937.db2.gz MBDMJYMHIDSTMU-OTBWCIGPSA-N 2 0 280.456 2.798 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423391717 286478341 /nfs/dbraw/zinc/47/83/41/286478341.db2.gz PPGGCQUXWOLDRM-HUBLWGQQSA-N 2 0 260.381 2.542 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1[nH+]ccc2[nH]ccc21 ZINC000663667905 413308947 /nfs/dbraw/zinc/30/89/47/413308947.db2.gz IQYBDXIXHNZQRQ-ZDUSSCGKSA-N 2 0 272.396 2.874 20 0 CFADRP Cc1c[nH+]ccc1NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000358941182 155924087 /nfs/dbraw/zinc/92/40/87/155924087.db2.gz XPRHUVKCODQLQD-OKILXGFUSA-N 2 0 261.413 2.592 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(F)F)CC1 ZINC000362735370 156076345 /nfs/dbraw/zinc/07/63/45/156076345.db2.gz PUBORESZNLALGD-CYBMUJFWSA-N 2 0 260.372 2.838 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC2(CC2)CC1 ZINC000362928084 156116074 /nfs/dbraw/zinc/11/60/74/156116074.db2.gz ONTNFKXESKWMLK-MRXNPFEDSA-N 2 0 280.456 2.536 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362924103 156116783 /nfs/dbraw/zinc/11/67/83/156116783.db2.gz WJHMKSGLBSXXDP-UHFFFAOYSA-N 2 0 273.355 2.659 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000362977601 156134555 /nfs/dbraw/zinc/13/45/55/156134555.db2.gz SDCKDPNWVJJHGE-DZGCQCFKSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)=CC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363658421 156193001 /nfs/dbraw/zinc/19/30/01/156193001.db2.gz PBLHKYVAEFNCQW-UHFFFAOYSA-N 2 0 266.429 2.528 20 0 CFADRP CC1(C[NH+]2CCOCC2)CC[NH+](CCCCCF)CC1 ZINC000367060728 156273832 /nfs/dbraw/zinc/27/38/32/156273832.db2.gz DJIZWBLRFAQBSU-UHFFFAOYSA-N 2 0 286.435 2.561 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367092465 156281234 /nfs/dbraw/zinc/28/12/34/156281234.db2.gz OPLZHVLVVQZGFM-FUHWJXTLSA-N 2 0 297.402 2.792 20 0 CFADRP COc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000367472408 156337761 /nfs/dbraw/zinc/33/77/61/156337761.db2.gz KUDCXMPUYIHGJJ-BPQIPLTHSA-N 2 0 286.419 2.611 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000367593236 156356359 /nfs/dbraw/zinc/35/63/59/156356359.db2.gz GVYHWKMSAVVYRB-RRFJBIMHSA-N 2 0 293.480 2.710 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367612685 156361703 /nfs/dbraw/zinc/36/17/03/156361703.db2.gz DVDKPBZMFHVLMK-ZACQAIPSSA-N 2 0 274.408 2.658 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@H]2CCC[C@@H]21 ZINC000367635804 156369941 /nfs/dbraw/zinc/36/99/41/156369941.db2.gz MCXKVYUHYOCNQF-IKGGRYGDSA-N 2 0 294.389 2.970 20 0 CFADRP CC(C)C[NH+]1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000367717890 156381459 /nfs/dbraw/zinc/38/14/59/156381459.db2.gz BCIJTXDXTARVRH-UHFFFAOYSA-N 2 0 296.418 2.922 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@H]2CCC[C@@H]21 ZINC000367744979 156386003 /nfs/dbraw/zinc/38/60/03/156386003.db2.gz BNCDLCXSRVZJSF-ILXRZTDVSA-N 2 0 293.842 2.740 20 0 CFADRP COc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1F ZINC000657179353 413329084 /nfs/dbraw/zinc/32/90/84/413329084.db2.gz LTGWCZVFRHSPNV-CYBMUJFWSA-N 2 0 280.387 2.656 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@H](C)C2 ZINC000335502032 292352334 /nfs/dbraw/zinc/35/23/34/292352334.db2.gz UAARIEOWHKDHMY-DYVFJYSZSA-N 2 0 256.393 2.738 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000651184918 413339046 /nfs/dbraw/zinc/33/90/46/413339046.db2.gz KXTYCBGTQYBAAJ-KRWDZBQOSA-N 2 0 293.499 2.571 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422783145 533676796 /nfs/dbraw/zinc/67/67/96/533676796.db2.gz HCTFMHHOYZHDAE-KBRIMQKVSA-N 2 0 292.423 2.712 20 0 CFADRP CO[C@@H](C[N@H+](C)CCC[NH+]1CCCC1)C1CCCC1 ZINC000660465275 413341495 /nfs/dbraw/zinc/34/14/95/413341495.db2.gz XCYPYMQGEAMBFX-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C1CC1[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000374499699 157123433 /nfs/dbraw/zinc/12/34/33/157123433.db2.gz DASGODMMTDGTAK-QZTJIDSGSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000374775269 157157364 /nfs/dbraw/zinc/15/73/64/157157364.db2.gz CUSDWIJVBAFQQN-ILXRZTDVSA-N 2 0 268.470 2.544 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCC(C)(C)O)[C@H]1c1ccccc1 ZINC000375496414 157249625 /nfs/dbraw/zinc/24/96/25/157249625.db2.gz QPNBLTPCTCQRMZ-IAGOWNOFSA-N 2 0 290.451 2.820 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375792035 157285870 /nfs/dbraw/zinc/28/58/70/157285870.db2.gz PJLHJNRRKPQNLT-LIRZEXBASA-N 2 0 288.435 2.702 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000375840827 157293773 /nfs/dbraw/zinc/29/37/73/157293773.db2.gz QJFHBYSSWDGNSD-ZIAGYGMSSA-N 2 0 270.380 2.815 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000651227064 413358011 /nfs/dbraw/zinc/35/80/11/413358011.db2.gz VGQTXOZSQCPNGV-HUUCEWRRSA-N 2 0 270.461 2.638 20 0 CFADRP COCCC[C@@H](C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000178344896 292377534 /nfs/dbraw/zinc/37/75/34/292377534.db2.gz OGPBQOKVYJXWOM-GFCCVEGCSA-N 2 0 256.434 2.700 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000423367351 286662233 /nfs/dbraw/zinc/66/22/33/286662233.db2.gz AFJRRAHXMCRJAT-ABXWRUBCSA-N 2 0 256.459 2.638 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3noc4ccccc43)CC[C@@H]21 ZINC000653570674 413379279 /nfs/dbraw/zinc/37/92/79/413379279.db2.gz ZJAIXHYEDMEMOM-YOEHRIQHSA-N 2 0 299.418 2.786 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000425363364 286718567 /nfs/dbraw/zinc/71/85/67/286718567.db2.gz XBNQEAVCLFDXDA-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947022 286803092 /nfs/dbraw/zinc/80/30/92/286803092.db2.gz KHMLWIBUVRLKBJ-HBNTYKKESA-N 2 0 252.324 2.838 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000422874448 286803851 /nfs/dbraw/zinc/80/38/51/286803851.db2.gz CYQKOPBUWAJBJP-INIZCTEOSA-N 3 0 269.477 2.606 20 0 CFADRP c1cc(C[NH2+]CCC2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657298911 413413334 /nfs/dbraw/zinc/41/33/34/413413334.db2.gz QBFAIKPLMBQKCY-UHFFFAOYSA-N 2 0 270.380 2.937 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000651349887 413414981 /nfs/dbraw/zinc/41/49/81/413414981.db2.gz KXVWEEQXWAXMAK-YOEHRIQHSA-N 2 0 260.425 2.721 20 0 CFADRP c1cc2c(cc[nH+]c2NC2CC([NH+]3CCCCC3)C2)[nH]1 ZINC000663863850 413416366 /nfs/dbraw/zinc/41/63/66/413416366.db2.gz JUMLCFLJYSEENO-UHFFFAOYSA-N 2 0 270.380 2.992 20 0 CFADRP C[C@H]([NH2+]CCCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000651359637 413422052 /nfs/dbraw/zinc/42/20/52/413422052.db2.gz AYDYGGWUDAECTR-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415044489 298384469 /nfs/dbraw/zinc/38/44/69/298384469.db2.gz STAMFNJSTRHKNO-OUAUKWLOSA-N 2 0 252.324 2.825 20 0 CFADRP COCc1csc(CNCCC[N@H+](C)C(C)C)c1 ZINC000657304865 413423133 /nfs/dbraw/zinc/42/31/33/413423133.db2.gz JGKIMYPABYMAKP-UHFFFAOYSA-N 2 0 270.442 2.714 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423043786 298399941 /nfs/dbraw/zinc/39/99/41/298399941.db2.gz PZODAGZFBVJACT-RISCZKNCSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000422725113 286892649 /nfs/dbraw/zinc/89/26/49/286892649.db2.gz XLQLSORUUFCASS-MAUKXSAKSA-N 2 0 293.499 2.761 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)Cc1ccccc1 ZINC000651384607 413435209 /nfs/dbraw/zinc/43/52/09/413435209.db2.gz UBUAKYKSTVIOFJ-DAWZGUTISA-N 2 0 290.451 2.707 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CO1 ZINC000657311330 413433481 /nfs/dbraw/zinc/43/34/81/413433481.db2.gz JTUSYPXUYYIIAU-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000110643915 286908561 /nfs/dbraw/zinc/90/85/61/286908561.db2.gz RCYQTNXTKKWWPZ-NEPJUHHUSA-N 2 0 250.361 2.946 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1OC ZINC000344307313 162002923 /nfs/dbraw/zinc/00/29/23/162002923.db2.gz RMHKTMITJGOAEM-INIZCTEOSA-N 2 0 274.408 2.998 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1OC ZINC000344307314 162003719 /nfs/dbraw/zinc/00/37/19/162003719.db2.gz RMHKTMITJGOAEM-MRXNPFEDSA-N 2 0 274.408 2.998 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2([C@H](C)CCO)CCC2)CC1 ZINC000344333689 162016131 /nfs/dbraw/zinc/01/61/31/162016131.db2.gz RLVBXBVRUKGWNS-OAHLLOKOSA-N 2 0 282.472 2.639 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000345164960 162191801 /nfs/dbraw/zinc/19/18/01/162191801.db2.gz MJUUHTHAKNTAII-UHFFFAOYSA-N 2 0 268.763 2.831 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000345175870 162195131 /nfs/dbraw/zinc/19/51/31/162195131.db2.gz QFEDXRVMXOJJPI-UHFFFAOYSA-N 2 0 286.419 2.827 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]1C(C)C ZINC000346174562 162340200 /nfs/dbraw/zinc/34/02/00/162340200.db2.gz KZEPWSQLYOWMHY-MRXNPFEDSA-N 2 0 270.380 2.806 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000347080160 162596959 /nfs/dbraw/zinc/59/69/59/162596959.db2.gz XCHCKYUTZKRGFA-CQSZACIVSA-N 2 0 298.434 2.646 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000349720085 163008305 /nfs/dbraw/zinc/00/83/05/163008305.db2.gz ISFCEFLEAZGEQF-SLTXQBBLSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000349839448 163024252 /nfs/dbraw/zinc/02/42/52/163024252.db2.gz ZSGNIEWACWSLKA-BNOWGMLFSA-N 2 0 279.453 2.771 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000350147833 163064108 /nfs/dbraw/zinc/06/41/08/163064108.db2.gz QTOOVOZMOIHFFK-UHFFFAOYSA-N 2 0 263.429 2.579 20 0 CFADRP COc1ccsc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350177234 163065272 /nfs/dbraw/zinc/06/52/72/163065272.db2.gz QFZPNPQTYSQXBT-UHFFFAOYSA-N 2 0 268.426 2.530 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000350262413 163070791 /nfs/dbraw/zinc/07/07/91/163070791.db2.gz ZIQXURNWIOJIPX-HZPDHXFCSA-N 2 0 266.429 2.528 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C)ccc1F ZINC000350318563 163071783 /nfs/dbraw/zinc/07/17/83/163071783.db2.gz OJXXXNBCPIVBKK-UHFFFAOYSA-N 2 0 282.403 2.582 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@@H]12 ZINC000351472480 163132117 /nfs/dbraw/zinc/13/21/17/163132117.db2.gz AWMZMCRUBDMYTD-FVQBIDKESA-N 2 0 278.827 2.942 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351488865 163133602 /nfs/dbraw/zinc/13/36/02/163133602.db2.gz GKTFGKYSJYZYRW-YESZJQIVSA-N 2 0 288.435 2.741 20 0 CFADRP CN(C[C@@H](O)C[N@@H+]1CCCC2(C1)CCCCCC2)C1CC1 ZINC000351522350 163139390 /nfs/dbraw/zinc/13/93/90/163139390.db2.gz XMMVSERFIKTMHG-QGZVFWFLSA-N 2 0 294.483 2.878 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351851681 163202901 /nfs/dbraw/zinc/20/29/01/163202901.db2.gz LUGHDOMIZGPFLJ-ZIAGYGMSSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000351853961 163204076 /nfs/dbraw/zinc/20/40/76/163204076.db2.gz PYCVAANMUFHJPT-STQMWFEESA-N 2 0 282.815 2.778 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000352834497 163247277 /nfs/dbraw/zinc/24/72/77/163247277.db2.gz ISTQHPYTPJHJLD-BHYGNILZSA-N 2 0 282.472 2.925 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000352840846 163249309 /nfs/dbraw/zinc/24/93/09/163249309.db2.gz OZAIMWSHPSLSOA-GDBMZVCRSA-N 2 0 268.445 2.537 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000352840849 163249879 /nfs/dbraw/zinc/24/98/79/163249879.db2.gz OZAIMWSHPSLSOA-ZBFHGGJFSA-N 2 0 268.445 2.537 20 0 CFADRP CSc1ccc(C[NH2+]Cc2cnc(C)n2C)cc1 ZINC000657327782 413456176 /nfs/dbraw/zinc/45/61/76/413456176.db2.gz OOFLMBNKXCBSKS-UHFFFAOYSA-N 2 0 261.394 2.740 20 0 CFADRP CC(C)CCCNc1ccc(Cn2ccnc2)cn1 ZINC000353122197 163310883 /nfs/dbraw/zinc/31/08/83/163310883.db2.gz FVPAASUUWNZWOX-UHFFFAOYSA-N 2 0 258.369 2.596 20 0 CFADRP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000353346868 163347952 /nfs/dbraw/zinc/34/79/52/163347952.db2.gz KNRYJRVRMHFXLG-GFCCVEGCSA-N 2 0 267.804 2.964 20 0 CFADRP C[N@H+](Cc1cccc2ccccc21)C1CCN(CCO)CC1 ZINC000353346536 163348736 /nfs/dbraw/zinc/34/87/36/163348736.db2.gz BNTLCNPDPJOUIU-UHFFFAOYSA-N 2 0 298.430 2.728 20 0 CFADRP CC[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](CC)C2)C1 ZINC000353484151 163374403 /nfs/dbraw/zinc/37/44/03/163374403.db2.gz YGKRXPPHUICVBT-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](CC)C2)C1 ZINC000353484150 163374842 /nfs/dbraw/zinc/37/48/42/163374842.db2.gz YGKRXPPHUICVBT-BJWYYQGGSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)C2CC2)cc1 ZINC000353510464 163382570 /nfs/dbraw/zinc/38/25/70/163382570.db2.gz MLKSMYFLVAVDBZ-GUYCJALGSA-N 2 0 299.418 2.850 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000353553291 163392833 /nfs/dbraw/zinc/39/28/33/163392833.db2.gz RBNZJTDLCNMCRK-IAGOWNOFSA-N 2 0 292.471 2.906 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353552483 163393571 /nfs/dbraw/zinc/39/35/71/163393571.db2.gz YJQXKTFVOVDTQG-LSDHHAIUSA-N 2 0 275.440 2.597 20 0 CFADRP CC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)OC ZINC000353580726 163398964 /nfs/dbraw/zinc/39/89/64/163398964.db2.gz XMPJNJZWTDDAIK-INIZCTEOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000353947167 287024509 /nfs/dbraw/zinc/02/45/09/287024509.db2.gz XXXHHDJGIKUNBT-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423153745 287028652 /nfs/dbraw/zinc/02/86/52/287028652.db2.gz GVLZNQDJQJEDOC-UYTYNIKBSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000422706683 287049302 /nfs/dbraw/zinc/04/93/02/287049302.db2.gz UVMYFVLDAUIDOO-MELADBBJSA-N 2 0 289.423 2.590 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422811717 287051122 /nfs/dbraw/zinc/05/11/22/287051122.db2.gz WJIWBKKKTAQVOI-VHSXEESVSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000370633174 287059639 /nfs/dbraw/zinc/05/96/39/287059639.db2.gz GDWUSCQQFMNHTR-UKRRQHHQSA-N 2 0 293.480 2.567 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2nccn2C(C)C)CC1 ZINC000657346337 413475420 /nfs/dbraw/zinc/47/54/20/413475420.db2.gz BGWVPRZYODGHOR-UHFFFAOYSA-N 2 0 278.444 2.676 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128710819 287214018 /nfs/dbraw/zinc/21/40/18/287214018.db2.gz FICXVDNSJSLWAP-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CSc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020129185 171017302 /nfs/dbraw/zinc/01/73/02/171017302.db2.gz MFBIMGQINSQBNW-UHFFFAOYSA-N 2 0 264.438 2.984 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020524015 171236872 /nfs/dbraw/zinc/23/68/72/171236872.db2.gz FJTRRAUFYAEVOB-FFHGMXDLSA-N 2 0 262.397 2.816 20 0 CFADRP Cc1nc(C)c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000660659008 413476894 /nfs/dbraw/zinc/47/68/94/413476894.db2.gz LXVBNCUHPHIAEX-HNNXBMFYSA-N 2 0 279.453 2.678 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662360 413480263 /nfs/dbraw/zinc/48/02/63/413480263.db2.gz IWHYANGLVXUUEY-ROUUACIJSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1ncc(C[NH2+][C@H]2CCc3ccc(C)cc32)n1C ZINC000657352766 413487253 /nfs/dbraw/zinc/48/72/53/413487253.db2.gz BDJPBINFGJUSMS-INIZCTEOSA-N 2 0 255.365 2.814 20 0 CFADRP c1ccc(C[NH2+]C2CC[NH+](CC[C@@H]3CCCO3)CC2)cc1 ZINC000660678038 413491949 /nfs/dbraw/zinc/49/19/49/413491949.db2.gz PXWUQLBFSYOHOE-SFHVURJKSA-N 2 0 288.435 2.810 20 0 CFADRP CC(C)(C)[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675100 413493523 /nfs/dbraw/zinc/49/35/23/413493523.db2.gz GIKTUHPUWPJFJZ-KRWDZBQOSA-N 2 0 290.451 2.648 20 0 CFADRP c1nn2c(c1C[NH2+]CCCCC[NH+]1CCCCC1)CCC2 ZINC000657359345 413494815 /nfs/dbraw/zinc/49/48/15/413494815.db2.gz UHEXOAGCZMCQLY-UHFFFAOYSA-N 2 0 290.455 2.575 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000660697000 413503697 /nfs/dbraw/zinc/50/36/97/413503697.db2.gz RZPUUNBQGOYUNA-IAGOWNOFSA-N 2 0 296.499 2.885 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CCCC2CCC2)CC1 ZINC000660696464 413506089 /nfs/dbraw/zinc/50/60/89/413506089.db2.gz QFOGFOKVYQZNOK-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000653810532 413511027 /nfs/dbraw/zinc/51/10/27/413511027.db2.gz HRNRUOLYBYXTFN-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP Fc1cccc(C2([NH2+]Cc3cnc4n3CCC4)CC2)c1 ZINC000657371348 413511712 /nfs/dbraw/zinc/51/17/12/413511712.db2.gz JIDHAFAYACVCBX-UHFFFAOYSA-N 2 0 271.339 2.747 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651614670 413527849 /nfs/dbraw/zinc/52/78/49/413527849.db2.gz QZOKDGXHOVUJHB-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP FC1(F)CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657401336 413561744 /nfs/dbraw/zinc/56/17/44/413561744.db2.gz BQFTUZPCLINGHD-GFCCVEGCSA-N 2 0 292.333 2.935 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@]2(C)CC)CC1 ZINC000651676924 413561806 /nfs/dbraw/zinc/56/18/06/413561806.db2.gz RULWKRNLOUEWRL-MSOLQXFVSA-N 2 0 295.515 2.963 20 0 CFADRP c1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c1)CCC2 ZINC000651675894 413562222 /nfs/dbraw/zinc/56/22/22/413562222.db2.gz HWPKIHCGKLPYEU-AWEZNQCLSA-N 2 0 270.420 2.749 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651678936 413565220 /nfs/dbraw/zinc/56/52/20/413565220.db2.gz IZOKCFJRENVXKM-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651680874 413565805 /nfs/dbraw/zinc/56/58/05/413565805.db2.gz UTIFJZAESSMMTR-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)CC(C)(C)C)C1 ZINC000651685771 413571590 /nfs/dbraw/zinc/57/15/90/413571590.db2.gz DIKLSLWSAYFIDB-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657414387 413574024 /nfs/dbraw/zinc/57/40/24/413574024.db2.gz NLDOPAGWYFGPLW-UHFFFAOYSA-N 2 0 290.455 2.503 20 0 CFADRP CCC1(CC)CCC([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000651701946 413577332 /nfs/dbraw/zinc/57/73/32/413577332.db2.gz GHWNHJRUTOIUBB-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)c1cnc(N[C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000664196945 413630457 /nfs/dbraw/zinc/63/04/57/413630457.db2.gz OGFYHFLVWDORDA-ZDUSSCGKSA-N 2 0 298.500 2.950 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000651830092 413674517 /nfs/dbraw/zinc/67/45/17/413674517.db2.gz ZTUXMCWBZPPBCD-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000657457767 413632650 /nfs/dbraw/zinc/63/26/50/413632650.db2.gz CNXWKVUFJNLZHB-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP c1c2cnccc2oc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000651787555 413639877 /nfs/dbraw/zinc/63/98/77/413639877.db2.gz XDMQOARLOUGLOP-UHFFFAOYSA-N 2 0 285.391 2.792 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000651829206 413675065 /nfs/dbraw/zinc/67/50/65/413675065.db2.gz TZWKXVIWCWPRBY-AWEZNQCLSA-N 2 0 275.396 2.875 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC1CCCC1 ZINC000660925991 413660833 /nfs/dbraw/zinc/66/08/33/413660833.db2.gz JWGAURLCJHKCDS-IAGOWNOFSA-N 2 0 282.472 2.732 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651829722 413671825 /nfs/dbraw/zinc/67/18/25/413671825.db2.gz KGDMFTANXHBIHJ-OAHLLOKOSA-N 2 0 272.436 2.997 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C[C@H]2C1 ZINC000651864778 413685364 /nfs/dbraw/zinc/68/53/64/413685364.db2.gz DJMBGCBXJYENTL-WNKDZCFJSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000657524788 413702028 /nfs/dbraw/zinc/70/20/28/413702028.db2.gz LRYVKWWWJCUQPK-NVXWUHKLSA-N 2 0 287.451 2.728 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CSC1)C1CCCCC1 ZINC000651910264 413708964 /nfs/dbraw/zinc/70/89/64/413708964.db2.gz NFYFNZXMWLIMCX-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000651928822 413719990 /nfs/dbraw/zinc/71/99/90/413719990.db2.gz VLMOYSPOGBCNFV-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285517125 196311788 /nfs/dbraw/zinc/31/17/88/196311788.db2.gz NYWHGZCZEIGGLC-XYPWUTKMSA-N 2 0 274.408 2.752 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150500 413831388 /nfs/dbraw/zinc/83/13/88/413831388.db2.gz YJTONOXWAHDLNE-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222469 413836952 /nfs/dbraw/zinc/83/69/52/413836952.db2.gz PFLZUGNQKJFDIN-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cccn2c(C[NH2+]C[C@H]3CCC[C@H](C)O3)cnc12 ZINC000657668851 413840415 /nfs/dbraw/zinc/84/04/15/413840415.db2.gz WOOZJIFPVTWXNU-DZGCQCFKSA-N 2 0 273.380 2.690 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657670077 413844630 /nfs/dbraw/zinc/84/46/30/413844630.db2.gz JQYBREIRSBEGHK-AVGNSLFASA-N 2 0 258.356 2.638 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000285539424 196320134 /nfs/dbraw/zinc/32/01/34/196320134.db2.gz CBICXTBBDMCAQJ-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C2CCC2)CC1 ZINC000661374666 413932956 /nfs/dbraw/zinc/93/29/56/413932956.db2.gz NQWGWHDEFCNFJD-MRXNPFEDSA-N 2 0 250.430 2.983 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000657736402 413891917 /nfs/dbraw/zinc/89/19/17/413891917.db2.gz BSGBEWFLDDYKGN-BJWYYQGGSA-N 2 0 274.408 2.515 20 0 CFADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000652343524 413899610 /nfs/dbraw/zinc/89/96/10/413899610.db2.gz PSKCDVIZVNABOI-NWDGAFQWSA-N 2 0 280.416 2.664 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000652350178 413900969 /nfs/dbraw/zinc/90/09/69/413900969.db2.gz JUMHPCBXJAPRAE-RHSMWYFYSA-N 2 0 276.399 2.789 20 0 CFADRP C[C@H]1CCC[N@H+](CCN(C)c2ccccc2)[C@H]1CC[NH3+] ZINC000652355591 413907144 /nfs/dbraw/zinc/90/71/44/413907144.db2.gz AQINDYMSDZYCMZ-RDJZCZTQSA-N 2 0 275.440 2.572 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc2cnccc2o1 ZINC000657857934 414008609 /nfs/dbraw/zinc/00/86/09/414008609.db2.gz DLDXTBJXVWYJMH-LBPRGKRZSA-N 2 0 261.369 2.820 20 0 CFADRP CCOC1CCC([NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000657873414 414015260 /nfs/dbraw/zinc/01/52/60/414015260.db2.gz XMRQOSWSMBIMMC-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000657872609 414016114 /nfs/dbraw/zinc/01/61/14/414016114.db2.gz ROQSFNNGHQSKQF-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657872241 414016539 /nfs/dbraw/zinc/01/65/39/414016539.db2.gz PNRSELFABIKVDP-UHFFFAOYSA-N 2 0 274.399 2.786 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657871420 414017007 /nfs/dbraw/zinc/01/70/07/414017007.db2.gz KQCWVQCKQBSXJP-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP COC1([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)CCC1 ZINC000657829316 413982961 /nfs/dbraw/zinc/98/29/61/413982961.db2.gz YFDLMBYTNVGODA-CQSZACIVSA-N 2 0 276.424 2.795 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)CCC1 ZINC000657835734 413985476 /nfs/dbraw/zinc/98/54/76/413985476.db2.gz OAPHVBQSCFOFAJ-ILXRZTDVSA-N 2 0 268.445 2.797 20 0 CFADRP CCOC1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000657842471 413996910 /nfs/dbraw/zinc/99/69/10/413996910.db2.gz BZGKHUQIYSDFJE-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP C(CC[NH2+][C@@H]1COC2(CCC2)C1)CC[NH+]1CCCCC1 ZINC000657880990 414024673 /nfs/dbraw/zinc/02/46/73/414024673.db2.gz UOKKIGYSHIHJPV-INIZCTEOSA-N 2 0 280.456 2.944 20 0 CFADRP FCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285645975 196353774 /nfs/dbraw/zinc/35/37/74/196353774.db2.gz SCARQHLHQUDNIC-KRWDZBQOSA-N 2 0 276.399 2.944 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414696151 287275341 /nfs/dbraw/zinc/27/53/41/287275341.db2.gz VJPAOGOGNPTPJZ-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]([NH2+]CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000037220294 173037933 /nfs/dbraw/zinc/03/79/33/173037933.db2.gz SVTYEZDJOLZWCP-OAHLLOKOSA-N 2 0 260.425 2.939 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229506 173049964 /nfs/dbraw/zinc/04/99/64/173049964.db2.gz KZDMRSZEMPNVHL-OAHLLOKOSA-N 2 0 276.424 2.702 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000037229504 173050300 /nfs/dbraw/zinc/05/03/00/173050300.db2.gz KZDMRSZEMPNVHL-HNNXBMFYSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCC(C)(C)[NH3+] ZINC000415112048 287277023 /nfs/dbraw/zinc/27/70/23/287277023.db2.gz CPUCNFLXNIPAJA-OAHLLOKOSA-N 2 0 289.467 2.888 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CCCCC2)C1 ZINC000661578230 414063684 /nfs/dbraw/zinc/06/36/84/414063684.db2.gz JXPJQASJFAQTSR-IRXDYDNUSA-N 2 0 282.472 2.590 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000037408356 173184749 /nfs/dbraw/zinc/18/47/49/173184749.db2.gz URNLBXUPHBRJKD-LSDHHAIUSA-N 2 0 258.409 2.864 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000657976573 414082739 /nfs/dbraw/zinc/08/27/39/414082739.db2.gz QPHVZVOTYWKIBI-RCCFBDPRSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067111 414153078 /nfs/dbraw/zinc/15/30/78/414153078.db2.gz JUQZMBYNMRSHGE-GOSISDBHSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000658036110 414123058 /nfs/dbraw/zinc/12/30/58/414123058.db2.gz UKENAQIUNLPISG-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP c1cc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000665263479 414220608 /nfs/dbraw/zinc/22/06/08/414220608.db2.gz MWDAIPWAAFXBKX-WMZOPIPTSA-N 2 0 298.386 2.668 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2ccccc21 ZINC000665264620 414222098 /nfs/dbraw/zinc/22/20/98/414222098.db2.gz DVGUFEFJXSBHGZ-IAGOWNOFSA-N 2 0 285.435 2.970 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)O1 ZINC000665265321 414223311 /nfs/dbraw/zinc/22/33/11/414223311.db2.gz VIAMVESWSUBJHP-NQNKBUKLSA-N 2 0 280.456 2.844 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658137010 414226626 /nfs/dbraw/zinc/22/66/26/414226626.db2.gz GEXOPEGBSJFKHX-ZWKOTPCHSA-N 2 0 288.435 2.531 20 0 CFADRP CC1(C)CC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658138026 414229571 /nfs/dbraw/zinc/22/95/71/414229571.db2.gz LXDKMNOIGGCIAJ-KRWDZBQOSA-N 2 0 288.435 2.531 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C1 ZINC000665274481 414230289 /nfs/dbraw/zinc/23/02/89/414230289.db2.gz QVXRWQLJWDXARG-QCXCNERSSA-N 2 0 258.356 2.814 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)C ZINC000658139142 414232101 /nfs/dbraw/zinc/23/21/01/414232101.db2.gz LGGRGLMBBORMEQ-RHSMWYFYSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658140319 414232956 /nfs/dbraw/zinc/23/29/56/414232956.db2.gz PWBLXJLDSBRLGU-KSSFIOAISA-N 2 0 288.435 2.531 20 0 CFADRP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C1CCCC1 ZINC000665275297 414233910 /nfs/dbraw/zinc/23/39/10/414233910.db2.gz GUMQTLDTVUNSMJ-BMGDILEWSA-N 2 0 290.451 2.740 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277788 414239826 /nfs/dbraw/zinc/23/98/26/414239826.db2.gz LSKHOOQRLGJONX-WIJYIZELSA-N 2 0 274.408 2.529 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277727 414237461 /nfs/dbraw/zinc/23/74/61/414237461.db2.gz JYRFJAJPMDTDIC-MYMJJRTCSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccccn1 ZINC000665232357 414191007 /nfs/dbraw/zinc/19/10/07/414191007.db2.gz LKJOYNBYLOTLNC-RKVPGOIHSA-N 2 0 283.419 2.733 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665236967 414191115 /nfs/dbraw/zinc/19/11/15/414191115.db2.gz XLXZODWEXWKGBY-BZUAXINKSA-N 2 0 281.488 2.760 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665235945 414194434 /nfs/dbraw/zinc/19/44/34/414194434.db2.gz DADWOIZPEAWCHV-QIXHYMPYSA-N 2 0 276.399 2.938 20 0 CFADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)C1 ZINC000665238864 414197059 /nfs/dbraw/zinc/19/70/59/414197059.db2.gz GHAXVIYDDKUREN-GQLSEVEHSA-N 2 0 294.483 2.805 20 0 CFADRP c1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccnc2c1 ZINC000665239615 414201684 /nfs/dbraw/zinc/20/16/84/414201684.db2.gz VXGKWXPVOJWZIE-XYPWUTKMSA-N 2 0 281.403 2.650 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cs1 ZINC000658108009 414207726 /nfs/dbraw/zinc/20/77/26/414207726.db2.gz OPOHISPDQGLOSG-ZFWWWQNUSA-N 2 0 297.512 2.979 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000665279445 414241872 /nfs/dbraw/zinc/24/18/72/414241872.db2.gz CNHKIIBMLJEEBY-IINYFYTJSA-N 2 0 256.340 2.989 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CCCO2 ZINC000665280796 414242605 /nfs/dbraw/zinc/24/26/05/414242605.db2.gz LYUBIYCYSNZURU-CVEARBPZSA-N 2 0 292.423 2.872 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000665281277 414242802 /nfs/dbraw/zinc/24/28/02/414242802.db2.gz YZJGXQPEXRRMCO-SWLSCSKDSA-N 2 0 289.423 2.595 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281487 414242966 /nfs/dbraw/zinc/24/29/66/414242966.db2.gz DWTHUMJFUNHAGD-BLLLJJGKSA-N 2 0 277.412 2.669 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281529 414243777 /nfs/dbraw/zinc/24/37/77/414243777.db2.gz FSKUAMMBDIDJMH-RBSFLKMASA-N 2 0 270.461 2.789 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279399 414244455 /nfs/dbraw/zinc/24/44/55/414244455.db2.gz BOMHIENHEYEROE-OPGSHWCFSA-N 2 0 280.362 2.628 20 0 CFADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCC(F)(F)CC1 ZINC000665279797 414244797 /nfs/dbraw/zinc/24/47/97/414244797.db2.gz MOHXGWLZQRLLIH-XSRFYTQQSA-N 2 0 258.356 2.542 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000665281573 414247016 /nfs/dbraw/zinc/24/70/16/414247016.db2.gz GZDQXSWIDPIYEQ-KFWWJZLASA-N 2 0 268.445 2.687 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)CCCC[NH3+])C1CCCCC1 ZINC000665282768 414250015 /nfs/dbraw/zinc/25/00/15/414250015.db2.gz BLEYQQAGPLDNRM-DZGCQCFKSA-N 2 0 256.434 2.689 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658170731 414262937 /nfs/dbraw/zinc/26/29/37/414262937.db2.gz NHJFDIGFQKVEJV-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]C[C@H](C)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC000665294216 414263592 /nfs/dbraw/zinc/26/35/92/414263592.db2.gz KJPNQCFMJRCRMF-IINYFYTJSA-N 2 0 297.240 2.504 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000665294005 414264470 /nfs/dbraw/zinc/26/44/70/414264470.db2.gz GRFLKSOGWWJPFF-DZGCQCFKSA-N 2 0 262.397 2.611 20 0 CFADRP C[NH2+]C[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000665297502 414267392 /nfs/dbraw/zinc/26/73/92/414267392.db2.gz HHPJLBDICUKMDP-AWEZNQCLSA-N 2 0 283.504 2.863 20 0 CFADRP CC1(C)C[C@]1(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000665300981 414271435 /nfs/dbraw/zinc/27/14/35/414271435.db2.gz LKHTWMNLXGMCIT-ZOBUZTSGSA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC000665300427 414273738 /nfs/dbraw/zinc/27/37/38/414273738.db2.gz BKQXQPHTMGQTCM-SDDRHHMPSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3ccccc23)CC[N@@H+]1C ZINC000658211685 414284440 /nfs/dbraw/zinc/28/44/40/414284440.db2.gz BCZZOVXYVVQCNJ-GOEBONIOSA-N 2 0 285.435 2.793 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)O1 ZINC000658220246 414292571 /nfs/dbraw/zinc/29/25/71/414292571.db2.gz PEUWLWBYNNVLCU-DZGCQCFKSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655703532 414374943 /nfs/dbraw/zinc/37/49/43/414374943.db2.gz ICKNFJIAPRWIHF-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000658329323 414379457 /nfs/dbraw/zinc/37/94/57/414379457.db2.gz LBEWKCREAZEIMB-BHYGNILZSA-N 2 0 282.472 2.902 20 0 CFADRP c1ncc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000661968081 414318383 /nfs/dbraw/zinc/31/83/83/414318383.db2.gz UHEIKAVIGCRAOB-QGFMHUBQSA-N 2 0 297.446 2.765 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2C)[C@H](C)C1 ZINC000658351096 414394894 /nfs/dbraw/zinc/39/48/94/414394894.db2.gz BDFFKLQZNUTMMY-CZUORRHYSA-N 2 0 276.424 2.824 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000655804377 414448567 /nfs/dbraw/zinc/44/85/67/414448567.db2.gz WVUMUPBYIXQOES-MELADBBJSA-N 2 0 283.419 2.565 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803930 414449012 /nfs/dbraw/zinc/44/90/12/414449012.db2.gz IPQRUDOKLZXFMP-BHYGNILZSA-N 2 0 275.440 2.723 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803789 414449192 /nfs/dbraw/zinc/44/91/92/414449192.db2.gz DNQQCILMJIGWLN-TXCZRRACSA-N 2 0 276.424 2.692 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1F ZINC000655804922 414449666 /nfs/dbraw/zinc/44/96/66/414449666.db2.gz GFHZSAUDWVLUMO-BZPMIXESSA-N 2 0 280.387 2.825 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C12CCCC2 ZINC000655806065 414450466 /nfs/dbraw/zinc/45/04/66/414450466.db2.gz YNMRFNLLRAVBMG-QXSJWSMHSA-N 2 0 280.456 2.654 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805605 414450625 /nfs/dbraw/zinc/45/06/25/414450625.db2.gz JJGSTMHTZHOFLI-KFWWJZLASA-N 2 0 276.424 2.994 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-n2cccn2)cc1 ZINC000655806173 414451175 /nfs/dbraw/zinc/45/11/75/414451175.db2.gz QHVNIALYAAOQTL-RKVPGOIHSA-N 2 0 298.434 2.863 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000655805961 414451324 /nfs/dbraw/zinc/45/13/24/414451324.db2.gz VEILPNZOSZERDE-UKPHBRMFSA-N 2 0 290.476 2.947 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000655806806 414451668 /nfs/dbraw/zinc/45/16/68/414451668.db2.gz BSBAXTIAPDDCRD-RLFYNMQTSA-N 2 0 298.434 2.863 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000655805510 414451914 /nfs/dbraw/zinc/45/19/14/414451914.db2.gz OTBVRBOTUUDYQI-IMJJTQAJSA-N 2 0 261.413 2.853 20 0 CFADRP COc1cccc(SCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000662243956 414473415 /nfs/dbraw/zinc/47/34/15/414473415.db2.gz DVCRZIFBVGGTIF-KBPBESRZSA-N 2 0 294.464 2.847 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2(C)CC=CC2)cc1 ZINC000655814212 414459276 /nfs/dbraw/zinc/45/92/76/414459276.db2.gz JOIDXWVOWRGTGV-UHFFFAOYSA-N 2 0 274.408 2.825 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000655824089 414461069 /nfs/dbraw/zinc/46/10/69/414461069.db2.gz DPWOASIFOGWQFK-RHNCMZPLSA-N 2 0 272.436 2.995 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000655824063 414461080 /nfs/dbraw/zinc/46/10/80/414461080.db2.gz DGIQWHUOMUVEEY-OTVXOJSOSA-N 2 0 257.381 2.598 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC ZINC000655826760 414462557 /nfs/dbraw/zinc/46/25/57/414462557.db2.gz YIEHHJOXASXXNH-GASCZTMLSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655827312 414465114 /nfs/dbraw/zinc/46/51/14/414465114.db2.gz RGLFLBKEXPTXQN-KDYLLFBJSA-N 2 0 298.434 2.815 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC000662247301 414474013 /nfs/dbraw/zinc/47/40/13/414474013.db2.gz ZAZIBVNGRNLALS-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000655838365 414470929 /nfs/dbraw/zinc/47/09/29/414470929.db2.gz AYSQGVSTBNKOQA-BPLDGKMQSA-N 2 0 268.445 2.652 20 0 CFADRP CCn1ccnc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353592 414397999 /nfs/dbraw/zinc/39/79/99/414397999.db2.gz PRCOJOCFAQBENA-AWEZNQCLSA-N 2 0 290.455 2.676 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000658354457 414399840 /nfs/dbraw/zinc/39/98/40/414399840.db2.gz CWHCWKRHOMNOGT-IAGOWNOFSA-N 2 0 294.483 2.902 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354683 414399914 /nfs/dbraw/zinc/39/99/14/414399914.db2.gz GAURBEVWMSFVGJ-KRWDZBQOSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCOC1 ZINC000658357630 414400842 /nfs/dbraw/zinc/40/08/42/414400842.db2.gz UUNPUYJBBYPKBI-RHSMWYFYSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000658357700 414401487 /nfs/dbraw/zinc/40/14/87/414401487.db2.gz VOBWKOASZSIXHX-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cc(C)[nH+]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655746183 414405815 /nfs/dbraw/zinc/40/58/15/414405815.db2.gz PFDIPJROEPUQHQ-INIZCTEOSA-N 2 0 289.423 2.754 20 0 CFADRP CO[C@@H](C[N@H+](C)CC[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000662246661 414474634 /nfs/dbraw/zinc/47/46/34/414474634.db2.gz AKRLIDKAVHJYPD-HOTGVXAUSA-N 2 0 270.461 2.887 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246784 414474821 /nfs/dbraw/zinc/47/48/21/414474821.db2.gz RNRHSVBXFOBPLC-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP C[N@@H+](Cc1cccc2ccccc21)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249130 414475866 /nfs/dbraw/zinc/47/58/66/414475866.db2.gz PZLDMSRMVNINIJ-KRWDZBQOSA-N 2 0 296.414 2.793 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)ccn1 ZINC000655848524 414475884 /nfs/dbraw/zinc/47/58/84/414475884.db2.gz HGZAXPTUWLBVPR-CWRNSKLLSA-N 2 0 289.423 2.758 20 0 CFADRP CC(C)CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662252541 414476533 /nfs/dbraw/zinc/47/65/33/414476533.db2.gz PYAWDSDXIZRVIW-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000655848826 414476643 /nfs/dbraw/zinc/47/66/43/414476643.db2.gz LVVDWJJJFVLGEK-OIISXLGYSA-N 2 0 280.456 2.798 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000655848600 414476696 /nfs/dbraw/zinc/47/66/96/414476696.db2.gz IJAGFJOKDMAHDO-ARFHVFGLSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)OC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662251437 414477158 /nfs/dbraw/zinc/47/71/58/414477158.db2.gz CHEHESGUMUHEGW-UHFFFAOYSA-N 2 0 288.435 2.722 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)[C@@H](C)C1 ZINC000655850013 414478281 /nfs/dbraw/zinc/47/82/81/414478281.db2.gz BEEAQNZNXQLHBS-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCCO1 ZINC000655849794 414478332 /nfs/dbraw/zinc/47/83/32/414478332.db2.gz QCFLCOQSZFXPKQ-WCVJEAGWSA-N 2 0 266.429 2.551 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCC2(CCCCC2)CC1 ZINC000662255165 414478468 /nfs/dbraw/zinc/47/84/68/414478468.db2.gz ATQYFRLTFUSYKB-OAHLLOKOSA-N 2 0 278.440 2.554 20 0 CFADRP CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255772 414480224 /nfs/dbraw/zinc/48/02/24/414480224.db2.gz RIGMENKPHPKGAG-IAGOWNOFSA-N 2 0 288.435 2.837 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@H]2CCC[C@@H]21 ZINC000655853261 414480706 /nfs/dbraw/zinc/48/07/06/414480706.db2.gz UDZIOZAWMRGQFK-YVSFHVDLSA-N 2 0 292.467 2.941 20 0 CFADRP CC[C@@H](CC(F)F)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263654 414481347 /nfs/dbraw/zinc/48/13/47/414481347.db2.gz CRNPWKCJCRVNJA-ACJTYDJDSA-N 2 0 260.372 2.883 20 0 CFADRP CC[C@H](CC(F)F)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263659 414482681 /nfs/dbraw/zinc/48/26/81/414482681.db2.gz CRNPWKCJCRVNJA-FKJOKYEKSA-N 2 0 260.372 2.883 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259329 414482825 /nfs/dbraw/zinc/48/28/25/414482825.db2.gz VDFHREGRUZMWDJ-RBSFLKMASA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3nsc4ccccc43)C[C@H]12 ZINC000662266750 414483139 /nfs/dbraw/zinc/48/31/39/414483139.db2.gz OSMDQCJKSAKAMU-KWCYVHTRSA-N 2 0 287.432 2.508 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1nsc2ccccc21 ZINC000662266436 414483617 /nfs/dbraw/zinc/48/36/17/414483617.db2.gz ZCDSTHHMOBZGJZ-NEPJUHHUSA-N 2 0 275.421 2.508 20 0 CFADRP CC[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1[NH3+] ZINC000662271251 414487386 /nfs/dbraw/zinc/48/73/86/414487386.db2.gz UQKRWJMGFDGIDF-TZMCWYRMSA-N 2 0 289.448 2.898 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662272673 414489635 /nfs/dbraw/zinc/48/96/35/414489635.db2.gz GURFMTLZVPOCQE-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@H](CN(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000662274611 414490041 /nfs/dbraw/zinc/49/00/41/414490041.db2.gz XUZLAGMEOUNOBY-LJQANCHMSA-N 2 0 298.430 2.878 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000662274250 414490262 /nfs/dbraw/zinc/49/02/62/414490262.db2.gz GXJNNHGLARWLED-FGTMMUONSA-N 2 0 288.435 2.696 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000659293432 414490311 /nfs/dbraw/zinc/49/03/11/414490311.db2.gz HSIWHLWFKVKFGL-SJCJKPOMSA-N 2 0 295.386 2.879 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275356 414490416 /nfs/dbraw/zinc/49/04/16/414490416.db2.gz BANIXAJGXGHGSF-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@H](CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000662274699 414490952 /nfs/dbraw/zinc/49/09/52/414490952.db2.gz KRKGLKWXHNRFOY-YESZJQIVSA-N 2 0 280.456 2.798 20 0 CFADRP Clc1ccccc1CN(CC1CC1)C[C@@H]1C[NH2+]CCO1 ZINC000662279063 414492503 /nfs/dbraw/zinc/49/25/03/414492503.db2.gz FKIDJLFALGUXNE-HNNXBMFYSA-N 2 0 294.826 2.540 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1 ZINC000662280428 414493636 /nfs/dbraw/zinc/49/36/36/414493636.db2.gz DKBZPFDZQHGFTR-GJZGRUSLSA-N 2 0 294.826 2.902 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCc1c(F)cccc1F ZINC000655940861 414496192 /nfs/dbraw/zinc/49/61/92/414496192.db2.gz ZRRUTQPMMSQPCP-HUUCEWRRSA-N 2 0 268.351 2.757 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000662293042 414497564 /nfs/dbraw/zinc/49/75/64/414497564.db2.gz IUKNKOYVKKHVCG-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000662296140 414499550 /nfs/dbraw/zinc/49/95/50/414499550.db2.gz XYQCVFOMQOXUFM-ZFWWWQNUSA-N 2 0 277.412 2.756 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)[C@@H]1CCCCO1 ZINC000662294739 414499809 /nfs/dbraw/zinc/49/98/09/414499809.db2.gz SKMOGWPEWKEREN-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+][C@@H]1CCc2ccccc2N(CCCC2CC[NH2+]CC2)C1 ZINC000662302109 414500682 /nfs/dbraw/zinc/50/06/82/414500682.db2.gz XBDPEIJCLZLYSY-QGZVFWFLSA-N 2 0 287.451 2.546 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCCCO2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000662312618 414504183 /nfs/dbraw/zinc/50/41/83/414504183.db2.gz IQBSPLWTDMFLPU-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000662310280 414504314 /nfs/dbraw/zinc/50/43/14/414504314.db2.gz JIKXFUNXQNDYKE-GOEBONIOSA-N 2 0 294.414 2.809 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316491 414504712 /nfs/dbraw/zinc/50/47/12/414504712.db2.gz WYZVGUFUVLCWCZ-HUUCEWRRSA-N 2 0 256.434 2.643 20 0 CFADRP C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662318532 414505183 /nfs/dbraw/zinc/50/51/83/414505183.db2.gz BBOKZEXIYJDQDX-JKSUJKDBSA-N 2 0 278.440 2.552 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)[C@H]1CCC[NH2+]C1 ZINC000662316542 414505757 /nfs/dbraw/zinc/50/57/57/414505757.db2.gz VMUIETWVIOUSOW-BRWVUGGUSA-N 2 0 280.456 2.657 20 0 CFADRP CCCCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662319251 414505936 /nfs/dbraw/zinc/50/59/36/414505936.db2.gz LKVCXYIWZQHXEA-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325590 414507205 /nfs/dbraw/zinc/50/72/05/414507205.db2.gz MRHKWFPMIDQTBR-GOSISDBHSA-N 2 0 290.451 2.580 20 0 CFADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662322395 414507908 /nfs/dbraw/zinc/50/79/08/414507908.db2.gz LUGSGCICSXPBAR-GOEBONIOSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000656196799 414532700 /nfs/dbraw/zinc/53/27/00/414532700.db2.gz LDUBISMFCSBTPS-OLZOCXBDSA-N 2 0 264.438 2.986 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)C1 ZINC000656200372 414533766 /nfs/dbraw/zinc/53/37/66/414533766.db2.gz KTAWHTCFJSVDPU-RDBSUJKOSA-N 2 0 292.448 2.789 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656200576 414534306 /nfs/dbraw/zinc/53/43/06/414534306.db2.gz AGNRVTLAIPJZAR-VSZNYVQBSA-N 3 0 293.499 2.904 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000656201189 414534501 /nfs/dbraw/zinc/53/45/01/414534501.db2.gz USIDISGODWHMSA-JQHSSLGASA-N 2 0 287.451 2.751 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)c1 ZINC000662398941 414534706 /nfs/dbraw/zinc/53/47/06/414534706.db2.gz MRBPHYWMQKZPCU-HNNXBMFYSA-N 2 0 291.439 2.746 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662398209 414534897 /nfs/dbraw/zinc/53/48/97/414534897.db2.gz CIOCHGSHYUSIPE-UHFFFAOYSA-N 2 0 295.386 2.652 20 0 CFADRP CCN(Cc1ccc(C)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000659859300 414591748 /nfs/dbraw/zinc/59/17/48/414591748.db2.gz ZZRFFTVLISYINW-QGZVFWFLSA-N 2 0 278.440 2.518 20 0 CFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccncc1 ZINC000656503981 414596461 /nfs/dbraw/zinc/59/64/61/414596461.db2.gz PVYZHLYSHPFBDD-OAHLLOKOSA-N 2 0 296.418 2.839 20 0 CFADRP CC1(C)C[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CO1 ZINC000659945391 414625142 /nfs/dbraw/zinc/62/51/42/414625142.db2.gz URRKMVCPTNSAJA-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP C(C[NH+]1CCCC1)OC1CC[NH+](CCC2CCC2)CC1 ZINC000659975688 414637879 /nfs/dbraw/zinc/63/78/79/414637879.db2.gz YYYLIEXYMWGRFH-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659974438 414638533 /nfs/dbraw/zinc/63/85/33/414638533.db2.gz MCXFQUTUZANVJZ-WCXIOVBPSA-N 2 0 262.441 2.696 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000659956849 414631496 /nfs/dbraw/zinc/63/14/96/414631496.db2.gz NQPWSELSYRUMQQ-WMZOPIPTSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656700129 414641199 /nfs/dbraw/zinc/64/11/99/414641199.db2.gz ZBGASUWWAQXTNH-CVEARBPZSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000656696103 414642186 /nfs/dbraw/zinc/64/21/86/414642186.db2.gz XESFZUJTHJKYRK-QBPKDAKJSA-N 2 0 282.472 2.588 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000040226333 174208990 /nfs/dbraw/zinc/20/89/90/174208990.db2.gz SFHUTLIEGVLDNQ-AWEZNQCLSA-N 2 0 297.240 2.978 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC000660082381 414660141 /nfs/dbraw/zinc/66/01/41/414660141.db2.gz LSZJRYBLFWGRBF-LJIZCISZSA-N 2 0 250.430 2.695 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000660012191 414651296 /nfs/dbraw/zinc/65/12/96/414651296.db2.gz RPIWKOLFTXLOGP-BSDSXHPESA-N 2 0 270.420 2.959 20 0 CFADRP Cc1ccc(OC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000040499534 174296557 /nfs/dbraw/zinc/29/65/57/174296557.db2.gz UNMLASXZQOYGIA-MGNMYUMUSA-N 2 0 288.435 2.977 20 0 CFADRP CC[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668105 174366816 /nfs/dbraw/zinc/36/68/16/174366816.db2.gz IGCVIKWWHCDJRW-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+]1CCC(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668107 174367116 /nfs/dbraw/zinc/36/71/16/174367116.db2.gz IGCVIKWWHCDJRW-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)([NH+](C)C)C1 ZINC000040668813 174367327 /nfs/dbraw/zinc/36/73/27/174367327.db2.gz XPSPDTMBVUWWQT-ICUGJSFKSA-N 2 0 295.515 2.815 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746897 174392187 /nfs/dbraw/zinc/39/21/87/174392187.db2.gz SRUHBRZRNMZVNY-SJPCQFCGSA-N 2 0 288.435 2.897 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000663343781 414676479 /nfs/dbraw/zinc/67/64/79/414676479.db2.gz FFAVCYODJYWEJK-VRKREXBASA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000044515544 175190010 /nfs/dbraw/zinc/19/00/10/175190010.db2.gz XSZNPQZNXBNSAN-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000044515896 175190060 /nfs/dbraw/zinc/19/00/60/175190060.db2.gz LENNHOUORSGSIU-GFCCVEGCSA-N 2 0 280.387 2.827 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515797 175190121 /nfs/dbraw/zinc/19/01/21/175190121.db2.gz PMIRKWVRHBPXIY-CYBMUJFWSA-N 2 0 262.397 2.688 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044515689 175190156 /nfs/dbraw/zinc/19/01/56/175190156.db2.gz LZTQXSUMKABMGY-ZDUSSCGKSA-N 2 0 262.397 2.688 20 0 CFADRP CCOc1ccc(C[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000044517188 175190350 /nfs/dbraw/zinc/19/03/50/175190350.db2.gz OQPBJDCGECXLSP-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CSCc3ccccc32)CC1 ZINC000044516909 175190504 /nfs/dbraw/zinc/19/05/04/175190504.db2.gz FFIFPPLJNFLKQX-INIZCTEOSA-N 2 0 276.449 2.906 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CSCc3ccccc32)CC1 ZINC000044516907 175190639 /nfs/dbraw/zinc/19/06/39/175190639.db2.gz FFIFPPLJNFLKQX-MRXNPFEDSA-N 2 0 276.449 2.906 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000044517809 175190693 /nfs/dbraw/zinc/19/06/93/175190693.db2.gz URVUITWQUKIIKQ-SFHVURJKSA-N 2 0 272.436 2.865 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044527682 175192992 /nfs/dbraw/zinc/19/29/92/175192992.db2.gz FGUBKZQSXXYEIZ-IUODEOHRSA-N 2 0 250.361 2.948 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000044529172 175193523 /nfs/dbraw/zinc/19/35/23/175193523.db2.gz FEVJEFWVGSPEBK-GFCCVEGCSA-N 2 0 273.355 2.545 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000044533453 175197159 /nfs/dbraw/zinc/19/71/59/175197159.db2.gz CSAPKCCRDSFJPW-OOHWJJMZSA-N 2 0 258.409 2.864 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000045598287 175381921 /nfs/dbraw/zinc/38/19/21/175381921.db2.gz FANJWGSMRCCIBT-UHFFFAOYSA-N 2 0 290.436 2.637 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422720629 287302483 /nfs/dbraw/zinc/30/24/83/287302483.db2.gz ZVGJOMNKVSDGMM-UGUYLWEFSA-N 2 0 268.445 2.831 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)CCO1 ZINC000415053876 287303234 /nfs/dbraw/zinc/30/32/34/287303234.db2.gz PFFREJGIXZSBQJ-QBPKDAKJSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000062841835 175675705 /nfs/dbraw/zinc/67/57/05/175675705.db2.gz JHTKQYGEMASOLY-SNVBAGLBSA-N 2 0 267.442 2.800 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495441 287318973 /nfs/dbraw/zinc/31/89/73/287318973.db2.gz LQGCCXZLSZMUFC-OWCLPIDISA-N 2 0 268.445 2.785 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422768341 287345148 /nfs/dbraw/zinc/34/51/48/287345148.db2.gz SXENONRWMYHIDN-PMPSAXMXSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340187173 287347870 /nfs/dbraw/zinc/34/78/70/287347870.db2.gz UIJAWUXOJWCDKT-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000341134691 287393796 /nfs/dbraw/zinc/39/37/96/287393796.db2.gz XRLJADLKFCMADB-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192931505 227390993 /nfs/dbraw/zinc/39/09/93/227390993.db2.gz LZKLMGGZVVTOLY-BPQIPLTHSA-N 2 0 288.435 2.523 20 0 CFADRP CCn1cncc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000417920572 227175427 /nfs/dbraw/zinc/17/54/27/227175427.db2.gz AIAXVZXUUZKORY-UHFFFAOYSA-N 2 0 292.471 2.751 20 0 CFADRP CO[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000418092312 228028486 /nfs/dbraw/zinc/02/84/86/228028486.db2.gz HRUWPLHOVMAFGB-KRWDZBQOSA-N 2 0 291.439 2.701 20 0 CFADRP Cc1ccccc1C1(C[NH2+]CC2CC[NH2+]CC2)CC1 ZINC000415118299 292627607 /nfs/dbraw/zinc/62/76/07/292627607.db2.gz WINKTVKVLBFDRD-UHFFFAOYSA-N 2 0 258.409 2.616 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCCC1 ZINC000400926412 420503570 /nfs/dbraw/zinc/50/35/70/420503570.db2.gz HNGJYAONCULZFA-OWCLPIDISA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401133464 420504205 /nfs/dbraw/zinc/50/42/05/420504205.db2.gz PBEZWFRZDNWFJC-BYNSBNAKSA-N 2 0 250.430 2.790 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916360 420501092 /nfs/dbraw/zinc/50/10/92/420501092.db2.gz WZBZAWNYQXQRSB-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400961105 420502501 /nfs/dbraw/zinc/50/25/01/420502501.db2.gz GAQYKTZKBUXWNE-FRRDWIJNSA-N 2 0 264.438 2.788 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400918626 420502725 /nfs/dbraw/zinc/50/27/25/420502725.db2.gz DYAXLEBYWQTVRX-CWRNSKLLSA-N 2 0 283.419 2.688 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000397336635 270317533 /nfs/dbraw/zinc/31/75/33/270317533.db2.gz TYAWSGGLBUESLY-BREBYQMCSA-N 2 0 267.442 2.565 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312792233 260204095 /nfs/dbraw/zinc/20/40/95/260204095.db2.gz JDWDKIFDXFMPIT-UPJWGTAASA-N 2 0 280.362 2.957 20 0 CFADRP C[N@H+](CCOC1CCCCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000525518069 260230455 /nfs/dbraw/zinc/23/04/55/260230455.db2.gz VQFAOVCULRLBAB-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000093213084 260273129 /nfs/dbraw/zinc/27/31/29/260273129.db2.gz HICUSIWYCHJIAX-WCFLWFBJSA-N 2 0 266.360 2.755 20 0 CFADRP CC[C@@H](c1ccc(Cl)cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313348267 260286665 /nfs/dbraw/zinc/28/66/65/260286665.db2.gz IMWBNNZSMSRAQE-CABCVRRESA-N 2 0 282.815 2.841 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000221674691 270255230 /nfs/dbraw/zinc/25/52/30/270255230.db2.gz XBUVIAMFIQLLIT-JYJNAYRXSA-N 2 0 269.477 2.569 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000516769079 262036658 /nfs/dbraw/zinc/03/66/58/262036658.db2.gz PARVYQCSTIXFND-GJZGRUSLSA-N 2 0 288.370 2.946 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C[C@H](C)O ZINC000393628989 262085905 /nfs/dbraw/zinc/08/59/05/262085905.db2.gz HPVNNJIHABSPIQ-ILXRZTDVSA-N 2 0 270.461 2.684 20 0 CFADRP c1cn(CCC[NH2+]Cc2cc3ccccc3o2)cn1 ZINC000020305990 262244913 /nfs/dbraw/zinc/24/49/13/262244913.db2.gz FOJWJJWRBXCGPH-UHFFFAOYSA-N 2 0 255.321 2.809 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000391116887 262382099 /nfs/dbraw/zinc/38/20/99/262382099.db2.gz JEUGGAGSNIEMAT-UONOGXRCSA-N 2 0 273.405 2.728 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000519143341 265333227 /nfs/dbraw/zinc/33/32/27/265333227.db2.gz SPMCPZAMGMYPRG-SFHVURJKSA-N 2 0 292.467 2.677 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000514614142 266017813 /nfs/dbraw/zinc/01/78/13/266017813.db2.gz DMZZEFGYNWKRLH-BRWVUGGUSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)(C[NH2+]CC1CC[NH2+]CC1)c1ccccc1F ZINC000258909676 270274584 /nfs/dbraw/zinc/27/45/84/270274584.db2.gz FEHMUEUHPKBUHU-UHFFFAOYSA-N 2 0 264.388 2.693 20 0 CFADRP CC[C@@]1(C)CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192748787 270233870 /nfs/dbraw/zinc/23/38/70/270233870.db2.gz VUSIBKDXZJUVTQ-SFHVURJKSA-N 2 0 295.515 2.915 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000337379191 279100049 /nfs/dbraw/zinc/10/00/49/279100049.db2.gz CKFRZDFRDDGBEW-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000237230553 270265990 /nfs/dbraw/zinc/26/59/90/270265990.db2.gz QTAKLHZQULBHAP-DYVFJYSZSA-N 2 0 297.402 2.681 20 0 CFADRP c1ccc2c(c1)cccc2C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000258972641 270274300 /nfs/dbraw/zinc/27/43/00/270274300.db2.gz KLIUYBYMXKLOAA-AWEZNQCLSA-N 2 0 254.377 2.929 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000258948190 270274811 /nfs/dbraw/zinc/27/48/11/270274811.db2.gz IKTHCBBXBNMRQB-OAHLLOKOSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1F ZINC000258966316 270275015 /nfs/dbraw/zinc/27/50/15/270275015.db2.gz LFEBIHYEXRGQAN-KGLIPLIRSA-N 2 0 250.361 2.573 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311948773 270288711 /nfs/dbraw/zinc/28/87/11/270288711.db2.gz XLGBVJYASXOZBP-YUELXQCFSA-N 2 0 262.372 2.818 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000314818261 270291904 /nfs/dbraw/zinc/29/19/04/270291904.db2.gz XVEHACZZPNRNBV-IAGOWNOFSA-N 2 0 288.435 2.614 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000323643797 270297453 /nfs/dbraw/zinc/29/74/53/270297453.db2.gz SKMRZRQFZGDNCQ-SFHVURJKSA-N 2 0 289.467 2.568 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390520047 270305904 /nfs/dbraw/zinc/30/59/04/270305904.db2.gz FTOBORFENYSDKG-WMZOPIPTSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@@H](CCCO)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000395046902 270310831 /nfs/dbraw/zinc/31/08/31/270310831.db2.gz PYRVBPPGECTOHK-FUHWJXTLSA-N 2 0 290.451 2.649 20 0 CFADRP CC(C)(C)C1CCC(C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000397078249 270315919 /nfs/dbraw/zinc/31/59/19/270315919.db2.gz GELVBCCHEQOMKB-UHFFFAOYSA-N 2 0 282.472 2.625 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000397225148 270316860 /nfs/dbraw/zinc/31/68/60/270316860.db2.gz AZIJWRLKENRSJB-BZUAXINKSA-N 2 0 276.424 2.761 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000397255728 270316938 /nfs/dbraw/zinc/31/69/38/270316938.db2.gz FIVNXIGZHSGRKH-WZRBSPASSA-N 2 0 252.427 2.862 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000397286255 270317397 /nfs/dbraw/zinc/31/73/97/270317397.db2.gz UTJHVKNTBULNOU-NUJGCVRESA-N 2 0 290.451 2.899 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C[NH3+] ZINC000397464144 270318563 /nfs/dbraw/zinc/31/85/63/270318563.db2.gz SIABZTVAJGEACY-VYDXJSESSA-N 2 0 298.434 2.678 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397501227 270319047 /nfs/dbraw/zinc/31/90/47/270319047.db2.gz YNEIUNLVUFLHKE-INIZCTEOSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397487233 270319054 /nfs/dbraw/zinc/31/90/54/270319054.db2.gz WDYBBLSRUQGDKI-GUTXKFCHSA-N 2 0 264.388 2.939 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397487235 270319059 /nfs/dbraw/zinc/31/90/59/270319059.db2.gz WDYBBLSRUQGDKI-NFAWXSAZSA-N 2 0 264.388 2.939 20 0 CFADRP COc1ccccc1[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccccn1 ZINC000423012125 270332699 /nfs/dbraw/zinc/33/26/99/270332699.db2.gz JZFZGGOGQHAICL-RDTXWAMCSA-N 2 0 299.418 2.897 20 0 CFADRP COc1ccccc1[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccn1 ZINC000423012124 270332705 /nfs/dbraw/zinc/33/27/05/270332705.db2.gz JZFZGGOGQHAICL-KSSFIOAISA-N 2 0 299.418 2.897 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000514673375 270348690 /nfs/dbraw/zinc/34/86/90/270348690.db2.gz JGDVGEKZRJCCLD-CVEARBPZSA-N 3 0 291.483 2.860 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000514930748 270358377 /nfs/dbraw/zinc/35/83/77/270358377.db2.gz PNXPYBPXYKQPLA-IUODEOHRSA-N 2 0 289.423 2.739 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000515167348 270363907 /nfs/dbraw/zinc/36/39/07/270363907.db2.gz OPQGBIMLISWFBC-KGLIPLIRSA-N 2 0 283.419 2.567 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000515167350 270364091 /nfs/dbraw/zinc/36/40/91/270364091.db2.gz OPQGBIMLISWFBC-ZIAGYGMSSA-N 2 0 283.419 2.567 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(SC)CC2)[C@@H](C)C1 ZINC000347844725 279397394 /nfs/dbraw/zinc/39/73/94/279397394.db2.gz CAHOEBIMUXPCPE-QWHCGFSZSA-N 2 0 256.459 2.544 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000516997608 270394223 /nfs/dbraw/zinc/39/42/23/270394223.db2.gz INQSGUJADVHHJB-RHSMWYFYSA-N 2 0 290.476 2.948 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)COC ZINC000527361313 270502231 /nfs/dbraw/zinc/50/22/31/270502231.db2.gz QGQLRCFUUVOBSJ-JYJNAYRXSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527979561 270566357 /nfs/dbraw/zinc/56/63/57/270566357.db2.gz HPFWCQSXZAKEOI-JOKDJRIQSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529544111 270699207 /nfs/dbraw/zinc/69/92/07/270699207.db2.gz WCJHXVKXHKYVJB-NSHDSACASA-N 2 0 260.372 2.742 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000423275456 273963582 /nfs/dbraw/zinc/96/35/82/273963582.db2.gz NALVSPGRLOLHRV-RISCZKNCSA-N 2 0 280.437 2.677 20 0 CFADRP COC1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422842895 274016294 /nfs/dbraw/zinc/01/62/94/274016294.db2.gz ZLYSGWJKRUYCAK-AGERRDQYSA-N 2 0 290.451 2.740 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000130165799 274139144 /nfs/dbraw/zinc/13/91/44/274139144.db2.gz XJGCJJZEIBSJBJ-HDMKZQKVSA-N 2 0 286.419 2.899 20 0 CFADRP COc1cccc2c1CC[N@H+](CCC[NH+]1CCCC1)CC2 ZINC000193729287 274151053 /nfs/dbraw/zinc/15/10/53/274151053.db2.gz ROICEIIALBDHLT-UHFFFAOYSA-N 2 0 288.435 2.582 20 0 CFADRP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000423173743 274154366 /nfs/dbraw/zinc/15/43/66/274154366.db2.gz ZXICLXBKRVWHIL-XWIAVFTESA-N 2 0 294.398 2.897 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)C1C[NH2+]C1 ZINC000335045041 274263068 /nfs/dbraw/zinc/26/30/68/274263068.db2.gz XXSKAIHCVAPDAN-OTYXRUKQSA-N 2 0 295.224 2.634 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000338783727 274283175 /nfs/dbraw/zinc/28/31/75/274283175.db2.gz HFLRQADJEXBUKW-SRABZTEZSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221286 274412059 /nfs/dbraw/zinc/41/20/59/274412059.db2.gz ZSGKZKQPNPCBQO-XHBSWPGZSA-N 2 0 262.372 2.648 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423297158 274482562 /nfs/dbraw/zinc/48/25/62/274482562.db2.gz IZLOBRIJGKMUCS-DYVFJYSZSA-N 2 0 288.435 2.964 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)CC3 ZINC000335562258 274766595 /nfs/dbraw/zinc/76/65/95/274766595.db2.gz ATPSSLSKQQCOMW-OCCSQVGLSA-N 2 0 283.419 2.531 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000422956112 274778723 /nfs/dbraw/zinc/77/87/23/274778723.db2.gz KQVWCTQWUFDPGE-JLJPHGGASA-N 2 0 258.409 2.960 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CC2 ZINC000423192471 274882366 /nfs/dbraw/zinc/88/23/66/274882366.db2.gz VNWRQBSXPJFDRF-AWEZNQCLSA-N 2 0 250.773 2.669 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414794187 274949596 /nfs/dbraw/zinc/94/95/96/274949596.db2.gz FITDMGFCMLPKQJ-NILFDRSVSA-N 2 0 264.800 2.524 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000415033101 274949988 /nfs/dbraw/zinc/94/99/88/274949988.db2.gz IKVPVWBVTMAJEF-ONERCXAPSA-N 2 0 264.800 2.524 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423284974 275061078 /nfs/dbraw/zinc/06/10/78/275061078.db2.gz ZCEVLHDBVCVBAT-GUYCJALGSA-N 2 0 274.408 2.749 20 0 CFADRP c1ccc([C@@H]2CC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000423246442 275068097 /nfs/dbraw/zinc/06/80/97/275068097.db2.gz KBGRHHYFWFUZDT-UAGQMJEPSA-N 2 0 258.409 2.912 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132150468 275070686 /nfs/dbraw/zinc/07/06/86/275070686.db2.gz PPIHKEAHGNXRDC-TZMCWYRMSA-N 2 0 262.422 2.813 20 0 CFADRP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335453291 275070821 /nfs/dbraw/zinc/07/08/21/275070821.db2.gz SZARHSKZTWLJHD-INIZCTEOSA-N 2 0 269.392 2.887 20 0 CFADRP C(C[NH+]1CCCC1)C[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000374841847 275390920 /nfs/dbraw/zinc/39/09/20/275390920.db2.gz GKWIOZTUFRCKJZ-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353288252 275395092 /nfs/dbraw/zinc/39/50/92/275395092.db2.gz HCGNHSCXSRWUOW-BURFUSLBSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@@H]1CCC[NH2+]C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000346819817 275396428 /nfs/dbraw/zinc/39/64/28/275396428.db2.gz FJAMNLMHVLANDL-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000194214297 275440253 /nfs/dbraw/zinc/44/02/53/275440253.db2.gz YSEQTFNHHKUGJQ-HZPDHXFCSA-N 2 0 290.455 2.831 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357061101 275538447 /nfs/dbraw/zinc/53/84/47/275538447.db2.gz ZNQQEDVVKVIEPF-AWEZNQCLSA-N 2 0 290.455 2.529 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347034876 275538472 /nfs/dbraw/zinc/53/84/72/275538472.db2.gz DHAYDWYQKFCXIS-OAHLLOKOSA-N 2 0 290.455 2.671 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(C)CCCC[C@@H]2C)CC1 ZINC000459608897 275636655 /nfs/dbraw/zinc/63/66/55/275636655.db2.gz IMJVGTYKBKOEDB-ROUUACIJSA-N 2 0 295.515 2.961 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CCC([NH3+])CC2)c2cc(N)ccc2O1 ZINC000332280180 275866862 /nfs/dbraw/zinc/86/68/62/275866862.db2.gz JITLYGYQSAMXHZ-HGMXIMQMSA-N 2 0 289.423 2.731 20 0 CFADRP CC1(C[NH2+][C@H]2CCc3c2cccc3F)CC[NH2+]CC1 ZINC000335021715 275897358 /nfs/dbraw/zinc/89/73/58/275897358.db2.gz CUMGCXNAZXIHFB-HNNXBMFYSA-N 2 0 262.372 2.792 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000421366198 276033433 /nfs/dbraw/zinc/03/34/33/276033433.db2.gz BXSHNMBOKQNIKH-OOJKYFRXSA-N 2 0 270.486 2.979 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000352881479 276096103 /nfs/dbraw/zinc/09/61/03/276096103.db2.gz ZPPZAJIBTNNZFQ-HOTGVXAUSA-N 2 0 270.461 2.734 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000342697945 276115956 /nfs/dbraw/zinc/11/59/56/276115956.db2.gz LLGWMNDTHLDZPH-XHSDSOJGSA-N 2 0 280.456 2.533 20 0 CFADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000261874411 276133323 /nfs/dbraw/zinc/13/33/23/276133323.db2.gz VPNPQFYPVYCSHU-RYUDHWBXSA-N 2 0 278.362 2.896 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCCO[C@H]21 ZINC000227078041 276163249 /nfs/dbraw/zinc/16/32/49/276163249.db2.gz CTLFYXHVCKUMFN-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3/C=C/CCCCC3)C2)CC1 ZINC000336251022 276198717 /nfs/dbraw/zinc/19/87/17/276198717.db2.gz FKDQSDSTOQHEFC-JFDVKVQISA-N 2 0 291.483 2.587 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000163251558 276221820 /nfs/dbraw/zinc/22/18/20/276221820.db2.gz IOYKYADWUXRJES-VBQJREDUSA-N 2 0 258.409 2.851 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000247955473 276229253 /nfs/dbraw/zinc/22/92/53/276229253.db2.gz FMFCPFYFMMNIPJ-ZOBUZTSGSA-N 2 0 288.435 2.873 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@@H](C)C1 ZINC000246556409 276229456 /nfs/dbraw/zinc/22/94/56/276229456.db2.gz BFRWTVUAOYQOAF-DYTYQCPDSA-N 2 0 284.447 2.892 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)[C@@H](C)C1 ZINC000344115116 276229813 /nfs/dbraw/zinc/22/98/13/276229813.db2.gz QODWNYXZHMYTAI-HJWJTTGWSA-N 2 0 280.456 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000449475516 276229893 /nfs/dbraw/zinc/22/98/93/276229893.db2.gz FRCVQEODSZVBIC-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353484193 276251708 /nfs/dbraw/zinc/25/17/08/276251708.db2.gz IXLSSVVVCIZLSW-HZMVEIRTSA-N 2 0 281.488 2.569 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420297901 276254718 /nfs/dbraw/zinc/25/47/18/276254718.db2.gz GNCBFYYYOVUHDI-YLFCFFPRSA-N 2 0 294.483 2.902 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C23CCC3)C1 ZINC000181558037 276263862 /nfs/dbraw/zinc/26/38/62/276263862.db2.gz WCBLBGCQCLHLMX-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000428300418 276267331 /nfs/dbraw/zinc/26/73/31/276267331.db2.gz MFSRBYJKJUDKOC-OKILXGFUSA-N 2 0 289.423 2.607 20 0 CFADRP CCC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450608764 276272245 /nfs/dbraw/zinc/27/22/45/276272245.db2.gz JHGWULNLZWYDIR-QGZVFWFLSA-N 2 0 282.472 2.735 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]cc2-c2cccnc2)C1 ZINC000377068697 276308161 /nfs/dbraw/zinc/30/81/61/276308161.db2.gz SWROXCORJBHOCS-OAHLLOKOSA-N 2 0 296.418 2.922 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H](SC)C1 ZINC000191590041 276324217 /nfs/dbraw/zinc/32/42/17/276324217.db2.gz PCEAYHKHQBTDBA-AWEZNQCLSA-N 2 0 258.475 2.936 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000070344261 276325981 /nfs/dbraw/zinc/32/59/81/276325981.db2.gz KJUUCSFPBMRZOT-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000354453285 276333866 /nfs/dbraw/zinc/33/38/66/276333866.db2.gz ATPUIWIQUUVUKV-MYBQVCMBSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424309220 276358451 /nfs/dbraw/zinc/35/84/51/276358451.db2.gz IBGCMXRYEOUWAE-KNCDZKKRSA-N 2 0 294.483 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248756157 276397783 /nfs/dbraw/zinc/39/77/83/276397783.db2.gz GDWQCZASHGJMEA-RBSFLKMASA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423069200 276436507 /nfs/dbraw/zinc/43/65/07/276436507.db2.gz APDMHMZFORONKF-MHORFTMASA-N 2 0 288.435 2.884 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000422822417 276485271 /nfs/dbraw/zinc/48/52/71/276485271.db2.gz JYFWLVMPPRBYNY-HRCADAONSA-N 2 0 268.445 2.689 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423144717 276586044 /nfs/dbraw/zinc/58/60/44/276586044.db2.gz HTFIHPYPVZGMPM-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000178038548 276636150 /nfs/dbraw/zinc/63/61/50/276636150.db2.gz JMYUCGJEPWQCNB-OAGGEKHMSA-N 2 0 270.461 2.900 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423390666 276701954 /nfs/dbraw/zinc/70/19/54/276701954.db2.gz KBQRTPFUFLIXDA-SDDRHHMPSA-N 2 0 279.453 2.671 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268870188 276758987 /nfs/dbraw/zinc/75/89/87/276758987.db2.gz CYXSCCHPRHEGPE-OAHLLOKOSA-N 2 0 280.387 2.971 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281937810 276784373 /nfs/dbraw/zinc/78/43/73/276784373.db2.gz KWMNSMWTUQPKLA-CYBMUJFWSA-N 2 0 271.408 2.567 20 0 CFADRP C(C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000373697220 276811105 /nfs/dbraw/zinc/81/11/05/276811105.db2.gz PGPCTJQBJLPSSB-GVDBMIGSSA-N 2 0 280.456 2.657 20 0 CFADRP C([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000423307664 276814106 /nfs/dbraw/zinc/81/41/06/276814106.db2.gz WGYMUNNGVDMECD-HZPDHXFCSA-N 2 0 250.430 2.935 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000271883437 277023527 /nfs/dbraw/zinc/02/35/27/277023527.db2.gz QCFHLUGEIPCFPT-KRWDZBQOSA-N 2 0 288.460 2.869 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000430638884 277026552 /nfs/dbraw/zinc/02/65/52/277026552.db2.gz GLQMLLURQKTARU-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000044515885 277026574 /nfs/dbraw/zinc/02/65/74/277026574.db2.gz WQIQNRCHRBLQLB-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000334275492 277031175 /nfs/dbraw/zinc/03/11/75/277031175.db2.gz BXSYOOZZIMSINJ-QZTJIDSGSA-N 2 0 287.451 2.506 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423083617 277040717 /nfs/dbraw/zinc/04/07/17/277040717.db2.gz GDZOPIOOWDOCRE-ULQDDVLXSA-N 2 0 287.451 2.841 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000459791747 277053226 /nfs/dbraw/zinc/05/32/26/277053226.db2.gz RTSNALTXFVILEH-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421862382 277053466 /nfs/dbraw/zinc/05/34/66/277053466.db2.gz WEQLJAAEBATFLY-DOTOQJQBSA-N 2 0 287.451 2.651 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](C2CCCC2)C1 ZINC000420967433 277061454 /nfs/dbraw/zinc/06/14/54/277061454.db2.gz YRCDQCKMJVOJEQ-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)(C)CCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422720912 277138863 /nfs/dbraw/zinc/13/88/63/277138863.db2.gz UDODGMBWTCKRLP-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)(C)CCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422720911 277138881 /nfs/dbraw/zinc/13/88/81/277138881.db2.gz UDODGMBWTCKRLP-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423093006 277143158 /nfs/dbraw/zinc/14/31/58/277143158.db2.gz FEUDMAWTXKTLOB-KCXAZCMYSA-N 2 0 276.424 2.908 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@@H]2CCC[C@H]21 ZINC000353645615 277170738 /nfs/dbraw/zinc/17/07/38/277170738.db2.gz PBJXIEFZFPUHRN-TXTZMMAHSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353432093 277171301 /nfs/dbraw/zinc/17/13/01/277171301.db2.gz ABVYMCRJZQDMSK-IKGGRYGDSA-N 2 0 258.409 2.692 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H]2CCC[C@@H]21 ZINC000414347372 277173507 /nfs/dbraw/zinc/17/35/07/277173507.db2.gz NFFJSBGDGLWLEV-QMIVOQANSA-N 2 0 260.381 2.598 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353528627 277192776 /nfs/dbraw/zinc/19/27/76/277192776.db2.gz ODOGGEPUAYQTQW-SWHNLWLKSA-N 2 0 280.456 2.654 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000359001603 277192851 /nfs/dbraw/zinc/19/28/51/277192851.db2.gz MNIAVLJSVIPNIG-JWMHWRSXSA-N 2 0 268.445 2.512 20 0 CFADRP COC1CCC([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000129848737 277193306 /nfs/dbraw/zinc/19/33/06/277193306.db2.gz FKXULOOLFLEEIU-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C[C@@H]2C1 ZINC000194540193 277198948 /nfs/dbraw/zinc/19/89/48/277198948.db2.gz VCYSNELKPAGPCA-JFRXWTBNSA-N 2 0 284.447 2.990 20 0 CFADRP CN1C[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])Cc2ccccc21 ZINC000423063132 277202691 /nfs/dbraw/zinc/20/26/91/277202691.db2.gz VOLYKWHFLIUEDE-XIRDDKMYSA-N 2 0 287.451 2.545 20 0 CFADRP COCCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000234640444 277203488 /nfs/dbraw/zinc/20/34/88/277203488.db2.gz KAWUQGYKKMAQBH-GJZGRUSLSA-N 2 0 260.381 2.538 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000133989553 277211835 /nfs/dbraw/zinc/21/18/35/277211835.db2.gz CHCKUFGNIIKBKX-JKSUJKDBSA-N 2 0 268.445 2.537 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000358241080 277244506 /nfs/dbraw/zinc/24/45/06/277244506.db2.gz RSKXLBAHZBJLFL-FPCVCCKLSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH2+]CC1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000430947979 277264983 /nfs/dbraw/zinc/26/49/83/277264983.db2.gz GPXFKDYUAZOTKZ-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000420416854 277268484 /nfs/dbraw/zinc/26/84/84/277268484.db2.gz VYTYEMGXFDYUDQ-JTQLQIEISA-N 2 0 260.303 2.966 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000423198341 277268657 /nfs/dbraw/zinc/26/86/57/277268657.db2.gz FIMDDSSFOZCBNS-CABCVRRESA-N 2 0 261.413 2.615 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000423275454 277274795 /nfs/dbraw/zinc/27/47/95/277274795.db2.gz NALVSPGRLOLHRV-BXUZGUMPSA-N 2 0 280.437 2.677 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000040592261 277275669 /nfs/dbraw/zinc/27/56/69/277275669.db2.gz NFYDGVHXEZKDPD-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423285587 277282487 /nfs/dbraw/zinc/28/24/87/277282487.db2.gz ZPVBZNZFAGEMGK-QWRGUYRKSA-N 2 0 285.229 2.955 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435391250 277283344 /nfs/dbraw/zinc/28/33/44/277283344.db2.gz RYNQHIOUQGHJKL-DOTOQJQBSA-N 2 0 260.425 2.797 20 0 CFADRP COC(=O)C1CCC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000192438089 277311791 /nfs/dbraw/zinc/31/17/91/277311791.db2.gz JQAUPVUGERJRBQ-FHERZECASA-N 2 0 296.455 2.572 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000411977633 277317835 /nfs/dbraw/zinc/31/78/35/277317835.db2.gz YFNWGCKFGUAPMI-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353387329 277332292 /nfs/dbraw/zinc/33/22/92/277332292.db2.gz OMBHELPXDXYODZ-XWTMOSNGSA-N 2 0 288.435 2.837 20 0 CFADRP CC(C)CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000429056672 277351275 /nfs/dbraw/zinc/35/12/75/277351275.db2.gz SXGOJXMQEDJOIZ-QZTJIDSGSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295188 277357017 /nfs/dbraw/zinc/35/70/17/277357017.db2.gz QVHOMCZTMJPRGD-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@]1(C)C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1(C)C ZINC000125310134 277359669 /nfs/dbraw/zinc/35/96/69/277359669.db2.gz WJTXYPOGJHPRHF-SQWLQELKSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177495932 277382836 /nfs/dbraw/zinc/38/28/36/277382836.db2.gz JADWRMPTJVOCCA-HOTGVXAUSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000090586508 277392368 /nfs/dbraw/zinc/39/23/68/277392368.db2.gz GSFHKUPZLYLHKI-BDXSIMOUSA-N 2 0 295.515 2.673 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1 ZINC000423469178 277428611 /nfs/dbraw/zinc/42/86/11/277428611.db2.gz YOHYXBCJKICMKV-STQMWFEESA-N 2 0 250.386 2.782 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423215602 277451133 /nfs/dbraw/zinc/45/11/33/277451133.db2.gz NEUVBFITWQRCTQ-SRVKXCTJSA-N 2 0 296.436 2.573 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000353226617 277507962 /nfs/dbraw/zinc/50/79/62/277507962.db2.gz ZEUWPYVZLISZJO-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423071593 277562198 /nfs/dbraw/zinc/56/21/98/277562198.db2.gz FSMCUZHWYBNJCZ-XIRDDKMYSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000344067959 277585637 /nfs/dbraw/zinc/58/56/37/277585637.db2.gz GJVCIHUCFCYTTD-OAHLLOKOSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CCCC[C@H]1C ZINC000449081316 277618685 /nfs/dbraw/zinc/61/86/85/277618685.db2.gz DHMSYOYAMMIXLC-ZACQAIPSSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422834572 277762454 /nfs/dbraw/zinc/76/24/54/277762454.db2.gz HWAMTNDYPRZINH-XOKHGSTOSA-N 2 0 290.476 2.995 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227329889 277816804 /nfs/dbraw/zinc/81/68/04/277816804.db2.gz WFOUVKAEHFBFJA-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423375004 277992659 /nfs/dbraw/zinc/99/26/59/277992659.db2.gz IOGNHEHYCBYZON-GRDNDAEWSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438088975 278002526 /nfs/dbraw/zinc/00/25/26/278002526.db2.gz SJQAYQHSTWDSNE-IXDOHACOSA-N 2 0 282.472 2.761 20 0 CFADRP COc1cccc(C2(C[NH2+]CC(C)(C)[NH3+])CCCC2)c1 ZINC000415090916 278008543 /nfs/dbraw/zinc/00/85/43/278008543.db2.gz PRINGCIWOXWWKW-UHFFFAOYSA-N 2 0 276.424 2.834 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000352608608 278011880 /nfs/dbraw/zinc/01/18/80/278011880.db2.gz NMCRHQVZORMTHU-YFHUEUNASA-N 2 0 292.467 2.750 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)C2 ZINC000414906691 278034724 /nfs/dbraw/zinc/03/47/24/278034724.db2.gz MKYYUDMGZGMYKC-MAUKXSAKSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000121511107 278061944 /nfs/dbraw/zinc/06/19/44/278061944.db2.gz WMHUWAPVGPDEGG-XJKSGUPXSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423019743 278169536 /nfs/dbraw/zinc/16/95/36/278169536.db2.gz WZKZJRJIPKTSNQ-KCPJHIHWSA-N 2 0 282.815 2.887 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000336844537 278169542 /nfs/dbraw/zinc/16/95/42/278169542.db2.gz ZWHRUXDWTZSMDZ-NVXWUHKLSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC000346863013 278174068 /nfs/dbraw/zinc/17/40/68/278174068.db2.gz LRZUIKPVCOWWSE-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](C[NH+](C)C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000348288821 278178015 /nfs/dbraw/zinc/17/80/15/278178015.db2.gz KJBPJDYZEHJSQH-INMHGKMJSA-N 2 0 281.488 2.569 20 0 CFADRP CC1(C)CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000246020239 278190909 /nfs/dbraw/zinc/19/09/09/278190909.db2.gz VCTHLAIROQMDMB-ZFWWWQNUSA-N 2 0 279.472 2.512 20 0 CFADRP C[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)C[NH+]1CCCC1 ZINC000093516422 278208551 /nfs/dbraw/zinc/20/85/51/278208551.db2.gz JAMCPFPOHRVRSW-IXDOHACOSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)C[NH+]1CCCCC1 ZINC000340191185 278210122 /nfs/dbraw/zinc/21/01/22/278210122.db2.gz IAUAUQPHXCCXAQ-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423161297 278219924 /nfs/dbraw/zinc/21/99/24/278219924.db2.gz IRLLHDVPCNTAAK-HOTGVXAUSA-N 2 0 273.424 2.595 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423371115 278222360 /nfs/dbraw/zinc/22/23/60/278222360.db2.gz AJOZWDKSHDOUCK-YYIAUSFCSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540933 278225378 /nfs/dbraw/zinc/22/53/78/278225378.db2.gz RJJVFUSLEHXGNS-RDJZCZTQSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423298087 278245507 /nfs/dbraw/zinc/24/55/07/278245507.db2.gz NCPMEYXAMCCYIP-ATZCPNFKSA-N 2 0 256.440 2.858 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423299359 278245660 /nfs/dbraw/zinc/24/56/60/278245660.db2.gz PWBMFAOTLOQLGZ-QWRGUYRKSA-N 2 0 252.427 2.872 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000057994402 278287210 /nfs/dbraw/zinc/28/72/10/278287210.db2.gz JCGJBQPKKXBWJL-YJBOKZPZSA-N 2 0 272.436 2.865 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430631405 278313009 /nfs/dbraw/zinc/31/30/09/278313009.db2.gz UQJWVKZCPCLYSM-AEFFLSMTSA-N 2 0 290.451 2.838 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346661501 278334426 /nfs/dbraw/zinc/33/44/26/278334426.db2.gz BDLYJKUPYQLRHQ-LSDHHAIUSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]([NH2+]C1CCc2ccccc2CC1)[C@H]1CCC[NH2+]1 ZINC000423161973 278337069 /nfs/dbraw/zinc/33/70/69/278337069.db2.gz OKUCUGDYJNIWIL-CXAGYDPISA-N 2 0 258.409 2.664 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417401162 278337558 /nfs/dbraw/zinc/33/75/58/278337558.db2.gz LCMLIXPMACEOIU-QMCVQRASSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422976966 278342121 /nfs/dbraw/zinc/34/21/21/278342121.db2.gz FEOHTJDBNNFFNG-CXAGYDPISA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](c1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423139680 278348535 /nfs/dbraw/zinc/34/85/35/278348535.db2.gz WGVLQJGPOLQOSM-BXUZGUMPSA-N 2 0 286.341 2.920 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1nc2c(s1)CCCC2 ZINC000422915629 278362653 /nfs/dbraw/zinc/36/26/53/278362653.db2.gz YUUZIKNWGACSDL-WDEREUQCSA-N 2 0 267.442 2.800 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C(C)(C)O1 ZINC000447569364 278369061 /nfs/dbraw/zinc/36/90/61/278369061.db2.gz BQEODEANKKOPSH-OAHLLOKOSA-N 2 0 280.456 2.797 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422958460 278372628 /nfs/dbraw/zinc/37/26/28/278372628.db2.gz XXBJUXLDCJYHQB-QIIPPGSGSA-N 2 0 286.419 2.878 20 0 CFADRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C(C)(C)O1 ZINC000447569363 278388274 /nfs/dbraw/zinc/38/82/74/278388274.db2.gz BQEODEANKKOPSH-HNNXBMFYSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422829394 278763397 /nfs/dbraw/zinc/76/33/97/278763397.db2.gz BYGRAWCQYAUYPU-FUHWJXTLSA-N 3 0 295.515 2.722 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423489792 279014498 /nfs/dbraw/zinc/01/44/98/279014498.db2.gz GWLNHEGLFXXOKA-PSHZPRKYSA-N 2 0 262.372 2.776 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534599 279021570 /nfs/dbraw/zinc/02/15/70/279021570.db2.gz ALEXIEBRUCHBKE-CXAGYDPISA-N 2 0 256.393 2.819 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271887270 279021703 /nfs/dbraw/zinc/02/17/03/279021703.db2.gz QZKWEYJUFONRLR-CXAGYDPISA-N 2 0 256.393 2.771 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423320647 279021977 /nfs/dbraw/zinc/02/19/77/279021977.db2.gz FTKOGLVMXBGXHY-XYPHTWIQSA-N 2 0 258.409 2.899 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000347306147 279059770 /nfs/dbraw/zinc/05/97/70/279059770.db2.gz AUUNPKOZESLOES-VVLHAWIVSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000347306149 279059971 /nfs/dbraw/zinc/05/99/71/279059971.db2.gz AUUNPKOZESLOES-WCXIOVBPSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335016689 279061556 /nfs/dbraw/zinc/06/15/56/279061556.db2.gz GFAZXVLXISGULE-MIMBDUIHSA-N 2 0 264.344 2.507 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335017349 279063050 /nfs/dbraw/zinc/06/30/50/279063050.db2.gz JEULDCRENYTRHG-DIXZTOCJSA-N 2 0 278.371 2.755 20 0 CFADRP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700917 288102545 /nfs/dbraw/zinc/10/25/45/288102545.db2.gz GXPBCHHOPYBWAK-NXHRZFHOSA-N 2 0 290.451 2.648 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000357848583 279092241 /nfs/dbraw/zinc/09/22/41/279092241.db2.gz MXHHLFQRITZESA-UHFFFAOYSA-N 2 0 296.499 2.981 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000349687159 279109351 /nfs/dbraw/zinc/10/93/51/279109351.db2.gz ZEYISKSTBREYEQ-MAUKXSAKSA-N 2 0 290.451 2.868 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CCC2 ZINC000331828855 279119765 /nfs/dbraw/zinc/11/97/65/279119765.db2.gz QCUVELDRTMZYSY-YRGRVCCFSA-N 2 0 279.453 2.936 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358322205 288106859 /nfs/dbraw/zinc/10/68/59/288106859.db2.gz SMMJDPYEVHUGRB-FDYHWXHSSA-N 2 0 260.372 2.883 20 0 CFADRP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414700914 288102367 /nfs/dbraw/zinc/10/23/67/288102367.db2.gz GXPBCHHOPYBWAK-JQHSSLGASA-N 2 0 290.451 2.648 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccsc1 ZINC000422855141 279165044 /nfs/dbraw/zinc/16/50/44/279165044.db2.gz DOGMUTRFQXZIDY-RRFJBIMHSA-N 2 0 281.469 2.600 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000414739394 279176776 /nfs/dbraw/zinc/17/67/76/279176776.db2.gz PXFVTVNMVCWIMS-CYGHRXIMSA-N 2 0 270.420 2.648 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000414690274 279178590 /nfs/dbraw/zinc/17/85/90/279178590.db2.gz AATHPDQCPXWQLJ-GOEBONIOSA-N 2 0 268.445 2.783 20 0 CFADRP CC(C)C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000423187233 279192446 /nfs/dbraw/zinc/19/24/46/279192446.db2.gz XNPDEYBKFHQWCW-SFHVURJKSA-N 2 0 289.467 2.659 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000422814948 279256198 /nfs/dbraw/zinc/25/61/98/279256198.db2.gz WNRKHLXLICKDRU-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423429421 279291766 /nfs/dbraw/zinc/29/17/66/279291766.db2.gz LGTXAYNVMHINJT-WSOGKROESA-N 2 0 290.838 2.859 20 0 CFADRP C[C@H](C[NH2+]C1CCc2ccccc2CC1)C[NH+](C)C ZINC000453234914 279346780 /nfs/dbraw/zinc/34/67/80/279346780.db2.gz IQNDTPPIDZXWFO-CQSZACIVSA-N 2 0 260.425 2.721 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414864529 279348462 /nfs/dbraw/zinc/34/84/62/279348462.db2.gz YSHCLJORZWTTQQ-ZOBUZTSGSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)C[NH+](C)C ZINC000425944951 279351053 /nfs/dbraw/zinc/35/10/53/279351053.db2.gz ZLGXBSBPGNWDCY-YQFWSFKMSA-N 2 0 260.425 2.966 20 0 CFADRP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000422906124 279351299 /nfs/dbraw/zinc/35/12/99/279351299.db2.gz JEPZWDVKQGJKGH-NUJGCVRESA-N 2 0 289.467 2.627 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000057994405 279354369 /nfs/dbraw/zinc/35/43/69/279354369.db2.gz JCGJBQPKKXBWJL-QAPCUYQASA-N 2 0 272.436 2.865 20 0 CFADRP C[C@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)C[NH+](C)C ZINC000310835073 279354896 /nfs/dbraw/zinc/35/48/96/279354896.db2.gz JQOACEMCDIELHT-ABAIWWIYSA-N 2 0 266.816 2.595 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000423291324 279422659 /nfs/dbraw/zinc/42/26/59/279422659.db2.gz HWGXGILCCWVRQO-LRDDRELGSA-N 2 0 284.407 2.607 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000090523605 279456192 /nfs/dbraw/zinc/45/61/92/279456192.db2.gz ATZSYSCRIKDNRY-QGTPRVQTSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C1CCSCC1 ZINC000423421955 279486500 /nfs/dbraw/zinc/48/65/00/279486500.db2.gz KUIYNKMIYLHMLX-IHRRRGAJSA-N 2 0 270.486 2.873 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000422990733 279667287 /nfs/dbraw/zinc/66/72/87/279667287.db2.gz ONZQLXSBHDNUJQ-XUWVNRHRSA-N 2 0 268.445 2.567 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C12CCCCC2 ZINC000312472822 279816727 /nfs/dbraw/zinc/81/67/27/279816727.db2.gz HAOLMFGRGXUXNG-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335502748 280025177 /nfs/dbraw/zinc/02/51/77/280025177.db2.gz YIUMGAIILXYKPA-VMCAZDIQSA-N 2 0 262.372 2.919 20 0 CFADRP C[C@]1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000167087585 280156657 /nfs/dbraw/zinc/15/66/57/280156657.db2.gz VIIHWSOXCDTQMD-MRXNPFEDSA-N 2 0 266.429 2.552 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000423462559 280166339 /nfs/dbraw/zinc/16/63/39/280166339.db2.gz KSCWMTFGBMZPMA-UKRRQHHQSA-N 2 0 250.386 2.719 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000414796781 280173385 /nfs/dbraw/zinc/17/33/85/280173385.db2.gz YHOMGMCGRXZEEK-BGTYHANMSA-N 2 0 270.420 2.791 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000358079387 280184359 /nfs/dbraw/zinc/18/43/59/280184359.db2.gz FCMJQBTUWDPMOY-MRXNPFEDSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@H]1CCOC1 ZINC000131219065 280184504 /nfs/dbraw/zinc/18/45/04/280184504.db2.gz MQGINPAGXSXGNP-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccncc1 ZINC000453112904 280185978 /nfs/dbraw/zinc/18/59/78/280185978.db2.gz UAFGRZRYQLVGBZ-MRXNPFEDSA-N 2 0 261.413 2.854 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774607 280223515 /nfs/dbraw/zinc/22/35/15/280223515.db2.gz XQXUOHRLEQMGFM-YSVLISHTSA-N 2 0 274.408 2.876 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774604 280223793 /nfs/dbraw/zinc/22/37/93/280223793.db2.gz XQXUOHRLEQMGFM-JLJPHGGASA-N 2 0 274.408 2.876 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000153407273 280254539 /nfs/dbraw/zinc/25/45/39/280254539.db2.gz SOKISCXAPISPPD-KSZLIROESA-N 2 0 295.515 2.673 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](CCC[NH3+])COC ZINC000423159671 280261740 /nfs/dbraw/zinc/26/17/40/280261740.db2.gz PQBXHDGJNCKWNL-RBSFLKMASA-N 2 0 256.434 2.546 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871035 280265134 /nfs/dbraw/zinc/26/51/34/280265134.db2.gz AVMKYKKHRFGMKW-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000453188788 280270249 /nfs/dbraw/zinc/27/02/49/280270249.db2.gz AESRHOAFIDDLGF-INIZCTEOSA-N 2 0 292.471 2.619 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000181739094 280272846 /nfs/dbraw/zinc/27/28/46/280272846.db2.gz DAXJIOHBACEJEO-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423406365 280319518 /nfs/dbraw/zinc/31/95/18/280319518.db2.gz KNODRFMOZTUONY-BZUAXINKSA-N 2 0 282.472 2.807 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423020281 280341174 /nfs/dbraw/zinc/34/11/74/280341174.db2.gz ZSAIHXRYPRBKLT-PMPSAXMXSA-N 2 0 282.472 2.684 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000090526194 280569370 /nfs/dbraw/zinc/56/93/70/280569370.db2.gz ZCGZZFDGGULJDN-IAGOWNOFSA-N 2 0 292.467 2.533 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094279078 280577834 /nfs/dbraw/zinc/57/78/34/280577834.db2.gz CJDKAQFQHVCDFX-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127608562 280666376 /nfs/dbraw/zinc/66/63/76/280666376.db2.gz LSEYCZCGIZRIIU-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000131237820 280714516 /nfs/dbraw/zinc/71/45/16/280714516.db2.gz XLVKIJJTTAGJCU-AWEZNQCLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)OC1CC([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000185852731 280840769 /nfs/dbraw/zinc/84/07/69/280840769.db2.gz MOWRIRABMZIPTA-UHFFFAOYSA-N 2 0 276.424 2.794 20 0 CFADRP CC[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422770306 280935543 /nfs/dbraw/zinc/93/55/43/280935543.db2.gz VZHSWFRNYIWLQZ-IRXDYDNUSA-N 2 0 275.440 2.633 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000246948829 281001504 /nfs/dbraw/zinc/00/15/04/281001504.db2.gz HHXWWYQJEUZTPS-MBNYWOFBSA-N 2 0 281.469 2.566 20 0 CFADRP C[C@@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@H]1C ZINC000246975996 281002612 /nfs/dbraw/zinc/00/26/12/281002612.db2.gz JLTZYQMEYQATQI-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000247991131 281017620 /nfs/dbraw/zinc/01/76/20/281017620.db2.gz JJOFGVSCEGBGBY-BRSBDYLESA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000247972816 281017658 /nfs/dbraw/zinc/01/76/58/281017658.db2.gz HNHNLWMBTQHBDD-CKEIUWERSA-N 2 0 258.409 2.851 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnn1C ZINC000248745710 281034130 /nfs/dbraw/zinc/03/41/30/281034130.db2.gz AXYZGMLKUFPUEI-HUUCEWRRSA-N 2 0 278.444 2.583 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000249426304 281057370 /nfs/dbraw/zinc/05/73/70/281057370.db2.gz YGBUMESUJFUPPE-DLBZAZTESA-N 2 0 281.488 2.525 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249501823 281060094 /nfs/dbraw/zinc/06/00/94/281060094.db2.gz XMBBHXPVXNRHET-ZMSDIMECSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249501822 281060102 /nfs/dbraw/zinc/06/01/02/281060102.db2.gz XMBBHXPVXNRHET-YQQAZPJKSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000249580933 281063361 /nfs/dbraw/zinc/06/33/61/281063361.db2.gz NIDNKJICFUZTID-KGLIPLIRSA-N 2 0 262.397 2.775 20 0 CFADRP Brc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000259050333 281111604 /nfs/dbraw/zinc/11/16/04/281111604.db2.gz QKAPKMDSMBGBTF-LLVKDONJSA-N 2 0 283.213 2.538 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1F ZINC000259192701 281111754 /nfs/dbraw/zinc/11/17/54/281111754.db2.gz ZTRRQUQJXUIFQP-CYBMUJFWSA-N 2 0 250.361 2.613 20 0 CFADRP Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000335039277 281135741 /nfs/dbraw/zinc/13/57/41/281135741.db2.gz BXQJUBGMJZJIKF-ZBCRRDGASA-N 2 0 274.408 2.844 20 0 CFADRP Cc1ccc2[nH+]ccc(N3C[C@H]4C[NH+](C)C[C@@H]4C3)c2c1 ZINC000362663112 281171572 /nfs/dbraw/zinc/17/15/72/281171572.db2.gz JOGZNPNNWHWJHO-ZIAGYGMSSA-N 2 0 267.376 2.541 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000396964044 281198781 /nfs/dbraw/zinc/19/87/81/281198781.db2.gz JOAGNWCDRHQQED-GARJFASQSA-N 2 0 252.324 2.505 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000397050343 281200530 /nfs/dbraw/zinc/20/05/30/281200530.db2.gz SKOAPEWCAZLJGH-TUAOUCFPSA-N 2 0 264.335 2.791 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000398175939 281204114 /nfs/dbraw/zinc/20/41/14/281204114.db2.gz GIYSLIXXIHSRRI-WMZOPIPTSA-N 2 0 291.483 2.860 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398128149 281204574 /nfs/dbraw/zinc/20/45/74/281204574.db2.gz ICOPAQLHYHJVDT-RYUDHWBXSA-N 2 0 264.360 2.516 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422938632 281212629 /nfs/dbraw/zinc/21/26/29/281212629.db2.gz HNCJCHOTWKDJAZ-JKSUJKDBSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000422930480 281222352 /nfs/dbraw/zinc/22/23/52/281222352.db2.gz UOPUDOVKHUMEFU-SNVBAGLBSA-N 2 0 288.313 2.988 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422929418 281222397 /nfs/dbraw/zinc/22/23/97/281222397.db2.gz PYEUIXINFSUPKP-ARFHVFGLSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422929375 281222408 /nfs/dbraw/zinc/22/24/08/281222408.db2.gz PPZAJQNRFBLNPD-APWZRJJASA-N 2 0 298.430 2.922 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422930141 281222509 /nfs/dbraw/zinc/22/25/09/281222509.db2.gz SIFGVCCCCACUOR-HOTGVXAUSA-N 2 0 262.397 2.623 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000423010648 281223188 /nfs/dbraw/zinc/22/31/88/281223188.db2.gz YEDBCDIXQRTDKU-HZPDHXFCSA-N 2 0 269.477 2.602 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423009698 281223273 /nfs/dbraw/zinc/22/32/73/281223273.db2.gz DKOWZRKGTJSQLE-BFHYXJOUSA-N 2 0 264.413 2.589 20 0 CFADRP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000093942402 281233400 /nfs/dbraw/zinc/23/34/00/281233400.db2.gz WSOFODPXYLOVGA-BDXSIMOUSA-N 2 0 295.515 2.817 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000435392554 281235160 /nfs/dbraw/zinc/23/51/60/281235160.db2.gz XDQGNAOIYCHFLZ-CWRNSKLLSA-N 2 0 276.449 2.968 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459364598 281256650 /nfs/dbraw/zinc/25/66/50/281256650.db2.gz ABRCFEVCMXRYPY-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCC3CCCC3)CC[C@H]21 ZINC000459365096 281257380 /nfs/dbraw/zinc/25/73/80/281257380.db2.gz MEVVGPJPHKGEDL-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)no1 ZINC000459368374 281258784 /nfs/dbraw/zinc/25/87/84/281258784.db2.gz FMZALGSYWMHDFS-UHFFFAOYSA-N 2 0 265.401 2.585 20 0 CFADRP CC[N@H+]1C[C@@H](C)N(C[C@@H]2CCCC[NH+]2C(C)C)[C@@H](C)C1 ZINC000459451461 281265140 /nfs/dbraw/zinc/26/51/40/281265140.db2.gz BJLNPRMCMMSGOY-BBWFWOEESA-N 2 0 281.488 2.664 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459454565 281265165 /nfs/dbraw/zinc/26/51/65/281265165.db2.gz DPIXKOGJKWMFEO-AWEZNQCLSA-N 2 0 290.455 2.954 20 0 CFADRP [NH3+]CCCN(c1ccccc1F)C1CC[NH+](C2CC2)CC1 ZINC000459484387 281267969 /nfs/dbraw/zinc/26/79/69/281267969.db2.gz PKVMUAKSGAUBEP-UHFFFAOYSA-N 2 0 291.414 2.608 20 0 CFADRP Cc1ccc(F)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000515059854 281290007 /nfs/dbraw/zinc/29/00/07/281290007.db2.gz FCAHNQBSPVRRLW-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP Cc1cnc(CN2CCC(Oc3ccncc3C)CC2)nc1 ZINC000516689143 281304940 /nfs/dbraw/zinc/30/49/40/281304940.db2.gz QFFPXQRTHBQGKU-UHFFFAOYSA-N 2 0 298.390 2.532 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000518396555 281308297 /nfs/dbraw/zinc/30/82/97/281308297.db2.gz IDFYZUGNSBAVPI-BZSNNMDCSA-N 2 0 283.419 2.699 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415038125 281342292 /nfs/dbraw/zinc/34/22/92/281342292.db2.gz HJPFDWDKGRSLDK-NVXWUHKLSA-N 2 0 258.409 2.959 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420294624 281392580 /nfs/dbraw/zinc/39/25/80/281392580.db2.gz BLOQRWXELLXZKX-CVEARBPZSA-N 2 0 258.409 2.784 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)C1CCOCC1 ZINC000531980679 281443583 /nfs/dbraw/zinc/44/35/83/281443583.db2.gz UESNOBBIENVFJF-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000532224845 281445998 /nfs/dbraw/zinc/44/59/98/281445998.db2.gz IRCYHMMWCVTVLQ-HUUCEWRRSA-N 2 0 299.503 2.589 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC[NH2+]CC1 ZINC000414896723 281572248 /nfs/dbraw/zinc/57/22/48/281572248.db2.gz COVFBXUOZGCQOJ-HUUCEWRRSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H](CCC1CC1)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000546009919 281701071 /nfs/dbraw/zinc/70/10/71/281701071.db2.gz ZSCOKBQZUORJQZ-AWEZNQCLSA-N 2 0 288.439 2.824 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000558623855 281987057 /nfs/dbraw/zinc/98/70/57/281987057.db2.gz WHSPFALFUKBJQO-QGZVFWFLSA-N 2 0 288.435 2.797 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000362728010 282009960 /nfs/dbraw/zinc/00/99/60/282009960.db2.gz XSZGZBFWUCGFAJ-LBPRGKRZSA-N 2 0 297.487 2.579 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559898728 282011729 /nfs/dbraw/zinc/01/17/29/282011729.db2.gz DTTJAHSDYWXQPX-QSPRXWTASA-N 2 0 258.409 2.720 20 0 CFADRP CC(C)C[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000559873334 282011809 /nfs/dbraw/zinc/01/18/09/282011809.db2.gz RPGCPJFIAZTOKL-IRXDYDNUSA-N 2 0 281.488 2.521 20 0 CFADRP CC(C)C(C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)C ZINC000560076908 282015004 /nfs/dbraw/zinc/01/50/04/282015004.db2.gz LSJPDAFSXPVKJA-QZTJIDSGSA-N 2 0 296.499 2.882 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423403121 282045063 /nfs/dbraw/zinc/04/50/63/282045063.db2.gz YEYQSQAHLFPCDH-UFGOTCBOSA-N 2 0 265.426 2.559 20 0 CFADRP CC(C)SCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562055515 282065947 /nfs/dbraw/zinc/06/59/47/282065947.db2.gz BZJMUOLBLXCOPA-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000562337449 282074871 /nfs/dbraw/zinc/07/48/71/282074871.db2.gz PXVXOFQKRSVAFP-IXDOHACOSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000423508908 288767931 /nfs/dbraw/zinc/76/79/31/288767931.db2.gz RDBBZZFTHKJCRX-FVQBIDKESA-N 2 0 262.397 2.624 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000421370544 289065946 /nfs/dbraw/zinc/06/59/46/289065946.db2.gz JSIHPXCXPUSBSU-UHFFFAOYSA-N 2 0 278.444 2.670 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423139562 289175802 /nfs/dbraw/zinc/17/58/02/289175802.db2.gz VMBSKNAACYDURL-QAETUUGQSA-N 2 0 258.409 2.897 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000422772016 289364650 /nfs/dbraw/zinc/36/46/50/289364650.db2.gz XVHWLTCHTUOCQI-DAXOMENPSA-N 2 0 295.858 2.660 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2c1cnn2C ZINC000251224872 289729156 /nfs/dbraw/zinc/72/91/56/289729156.db2.gz PCRCQFUHMFTOOU-YCPHGPKFSA-N 2 0 290.455 2.698 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCCCC1 ZINC000155745453 289925010 /nfs/dbraw/zinc/92/50/10/289925010.db2.gz BPZCUEANAOUQKW-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423000885 289945156 /nfs/dbraw/zinc/94/51/56/289945156.db2.gz WBLHWDNJJMKHJH-GOEBONIOSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000311847245 290015417 /nfs/dbraw/zinc/01/54/17/290015417.db2.gz VEUBMFAKDFUQFL-OAHLLOKOSA-N 2 0 282.815 2.780 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699559 290018118 /nfs/dbraw/zinc/01/81/18/290018118.db2.gz CISDZOYYRVNYSW-ZIAGYGMSSA-N 2 0 297.240 2.851 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)C1CCC(F)(F)CC1 ZINC000423516937 290024567 /nfs/dbraw/zinc/02/45/67/290024567.db2.gz UGBOTVUQWFVUCA-DMDPSCGWSA-N 2 0 260.372 2.917 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000401028008 290024884 /nfs/dbraw/zinc/02/48/84/290024884.db2.gz OKVSPPHAROLMQE-LCGIIJARSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)N1CCN(c2ncc[nH]2)CC1 ZINC000562382962 290039276 /nfs/dbraw/zinc/03/92/76/290039276.db2.gz BDECKTNIBUNFNZ-LBPRGKRZSA-N 2 0 290.798 2.946 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CCCC[NH2+]1 ZINC000423023757 290055573 /nfs/dbraw/zinc/05/55/73/290055573.db2.gz KMYPZGUWRPMXMD-XQLPTFJDSA-N 2 0 268.445 2.700 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnc(C2CC2)s1)C1CC1 ZINC000562574171 290056875 /nfs/dbraw/zinc/05/68/75/290056875.db2.gz UWGDMWYPKGMQKW-UHFFFAOYSA-N 2 0 279.453 2.985 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000562748080 290073404 /nfs/dbraw/zinc/07/34/04/290073404.db2.gz NUZHAVBRTOWOEV-KSZLIROESA-N 2 0 287.451 2.587 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1 ZINC000562956632 290085697 /nfs/dbraw/zinc/08/56/97/290085697.db2.gz IDYWWQZSIDHBON-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000562958822 290086022 /nfs/dbraw/zinc/08/60/22/290086022.db2.gz ZJUZNUHFCVBOAA-GXTWGEPZSA-N 2 0 284.350 2.548 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000562960403 290086741 /nfs/dbraw/zinc/08/67/41/290086741.db2.gz SCHKVMDDFVBWNU-OLZOCXBDSA-N 2 0 293.480 2.672 20 0 CFADRP CC(C)CO[C@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563268297 290126224 /nfs/dbraw/zinc/12/62/24/290126224.db2.gz IBQIVJZTODMQBK-SFHVURJKSA-N 2 0 288.435 2.579 20 0 CFADRP COC(=O)CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000563423392 290148709 /nfs/dbraw/zinc/14/87/09/290148709.db2.gz GGEVCLAQLYWJLD-XHSDSOJGSA-N 2 0 290.407 2.540 20 0 CFADRP CCN(CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000563424988 290149190 /nfs/dbraw/zinc/14/91/90/290149190.db2.gz OCSQCENTWJWBDQ-HOTGVXAUSA-N 2 0 275.440 2.763 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000563429722 290150459 /nfs/dbraw/zinc/15/04/59/290150459.db2.gz VLRLGLCAURNGEY-XJKSGUPXSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1cnc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000563807969 290175259 /nfs/dbraw/zinc/17/52/59/290175259.db2.gz SIBZYPBNVUIXQL-QGZVFWFLSA-N 2 0 287.451 2.659 20 0 CFADRP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000563822170 290177230 /nfs/dbraw/zinc/17/72/30/290177230.db2.gz XLTDPYSGJJQBDG-MSOLQXFVSA-N 2 0 292.467 2.848 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C2CC2)CC1 ZINC000563834849 290177515 /nfs/dbraw/zinc/17/75/15/290177515.db2.gz KQWUQHDRXYRDGC-UHFFFAOYSA-N 2 0 268.364 2.608 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000353603602 290215760 /nfs/dbraw/zinc/21/57/60/290215760.db2.gz GYTLOHWLYWWRNX-IXDOHACOSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)[C@@H]2CCC[C@H]21 ZINC000414264378 290215860 /nfs/dbraw/zinc/21/58/60/290215860.db2.gz KVZNGDANHSAJEP-HRCADAONSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1ccc(CC[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000564583676 290216801 /nfs/dbraw/zinc/21/68/01/290216801.db2.gz BNBXPQBKGOMMEI-UHFFFAOYSA-N 2 0 258.409 2.741 20 0 CFADRP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353603142 290220089 /nfs/dbraw/zinc/22/00/89/290220089.db2.gz GAJLIMOCMCSMJD-TWMKSMIVSA-N 2 0 293.499 2.569 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000564822594 290236281 /nfs/dbraw/zinc/23/62/81/290236281.db2.gz HSMSFDALFNPPHB-SWLSCSKDSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1cnc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000564898691 290246748 /nfs/dbraw/zinc/24/67/48/290246748.db2.gz XCTCHAVKHDUEOC-MRXNPFEDSA-N 2 0 275.440 2.515 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564986860 290255207 /nfs/dbraw/zinc/25/52/07/290255207.db2.gz IZWZXVBWVBJPTF-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCCC2 ZINC000564989047 290255394 /nfs/dbraw/zinc/25/53/94/290255394.db2.gz JDHJRLPWLDCJEI-DLBZAZTESA-N 2 0 288.435 2.973 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000565155419 290272761 /nfs/dbraw/zinc/27/27/61/290272761.db2.gz FARIYVQBBIOZCV-LSDHHAIUSA-N 2 0 262.397 2.576 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000565155412 290272780 /nfs/dbraw/zinc/27/27/80/290272780.db2.gz FARIYVQBBIOZCV-CABCVRRESA-N 2 0 262.397 2.576 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000565227268 290285624 /nfs/dbraw/zinc/28/56/24/290285624.db2.gz UCHKSWLCGDAFMC-HZPDHXFCSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000565430118 290301423 /nfs/dbraw/zinc/30/14/23/290301423.db2.gz CEUPZNFKEXNVBT-YVSFHVDLSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cn1 ZINC000565548658 290309802 /nfs/dbraw/zinc/30/98/02/290309802.db2.gz LTDIHALYTMUCGI-MVWJERBFSA-N 2 0 298.228 2.765 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC000565785479 290325634 /nfs/dbraw/zinc/32/56/34/290325634.db2.gz WCEKOEWHLLOJDX-QWHCGFSZSA-N 2 0 297.240 2.851 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000566091015 290347045 /nfs/dbraw/zinc/34/70/45/290347045.db2.gz UREFVZVLKMKCNO-MSOLQXFVSA-N 2 0 298.434 2.837 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000566089119 290347162 /nfs/dbraw/zinc/34/71/62/290347162.db2.gz QDIHNQVGXCDHJR-RDJZCZTQSA-N 2 0 283.419 2.884 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C ZINC000566411154 290380538 /nfs/dbraw/zinc/38/05/38/290380538.db2.gz ACQQZQHIFNHSMF-HIFRSBDPSA-N 2 0 262.397 2.624 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000422707037 292805802 /nfs/dbraw/zinc/80/58/02/292805802.db2.gz GMYPKOHYIPJYRS-WBVHZDCISA-N 2 0 276.424 2.790 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CC[NH2+]CC2)C1 ZINC000246721639 290391973 /nfs/dbraw/zinc/39/19/73/290391973.db2.gz XPZKICVCQYQWBP-WMZOPIPTSA-N 3 0 293.499 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000566480996 290392570 /nfs/dbraw/zinc/39/25/70/290392570.db2.gz DTFDUIVSGZSOFS-KBPBESRZSA-N 2 0 255.365 2.594 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000566481841 290393151 /nfs/dbraw/zinc/39/31/51/290393151.db2.gz QNCJETXLZPKHTG-VHSXEESVSA-N 2 0 285.229 2.973 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566482247 290393223 /nfs/dbraw/zinc/39/32/23/290393223.db2.gz LTNPGZZQTQNXDT-IKGGRYGDSA-N 3 0 281.488 2.747 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC000566484034 290393745 /nfs/dbraw/zinc/39/37/45/290393745.db2.gz ZHADBYPHALZKJV-BZUAXINKSA-N 2 0 258.409 2.966 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000566620776 290405472 /nfs/dbraw/zinc/40/54/72/290405472.db2.gz WAEPGIUSFQNDDL-SFHVURJKSA-N 2 0 282.387 2.931 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000567641165 290480179 /nfs/dbraw/zinc/48/01/79/290480179.db2.gz ISXHEZCJRLBHTL-LKSINWNRSA-N 2 0 252.427 2.786 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000567639345 290480494 /nfs/dbraw/zinc/48/04/94/290480494.db2.gz JAZZMVRIZXOTQS-WBVHZDCISA-N 2 0 281.488 2.619 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423239876 292836484 /nfs/dbraw/zinc/83/64/84/292836484.db2.gz BTWKRVMLUGOWIT-SWLSCSKDSA-N 2 0 282.815 2.617 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000422769169 293096565 /nfs/dbraw/zinc/09/65/65/293096565.db2.gz USOPKNSLXUZVAI-WMZOPIPTSA-N 2 0 299.418 2.515 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000422922055 293260904 /nfs/dbraw/zinc/26/09/04/293260904.db2.gz RQSOULVTHHEARF-GFCCVEGCSA-N 2 0 261.413 2.936 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000423144199 293260906 /nfs/dbraw/zinc/26/09/06/293260906.db2.gz GHQFZNHMVFMSFI-CYBMUJFWSA-N 2 0 298.434 2.872 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCCCC23CCCC3)CCC[NH2+]1 ZINC000423408319 293294450 /nfs/dbraw/zinc/29/44/50/293294450.db2.gz ABXUANFIOBKLCQ-NVXWUHKLSA-N 2 0 280.456 2.848 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000423019075 294107534 /nfs/dbraw/zinc/10/75/34/294107534.db2.gz TWNFUYBJOPXTTE-JYJNAYRXSA-N 2 0 294.826 2.902 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000362977554 294458711 /nfs/dbraw/zinc/45/87/11/294458711.db2.gz RVNAOASVOFONPI-ZJIFWQFVSA-N 2 0 268.445 2.558 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423211907 294483524 /nfs/dbraw/zinc/48/35/24/294483524.db2.gz HUGWWPXRBAATID-OTRWWLKZSA-N 2 0 276.424 2.740 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)c1OC ZINC000423361936 295238731 /nfs/dbraw/zinc/23/87/31/295238731.db2.gz HDLURPLHFGWIOX-MJBXVCDLSA-N 2 0 292.423 2.933 20 0 CFADRP COc1ccc([C@H]([NH2+]CC[C@H](C)[NH3+])C(C)C)cc1 ZINC000423226482 295244912 /nfs/dbraw/zinc/24/49/12/295244912.db2.gz QWFDXLDDZADGAY-SWLSCSKDSA-N 2 0 250.386 2.719 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH3+])CCCS2 ZINC000423310428 295274696 /nfs/dbraw/zinc/27/46/96/295274696.db2.gz RUBUPFMLNXFMFR-SMDDNHRTSA-N 2 0 280.437 2.807 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423099042 295296402 /nfs/dbraw/zinc/29/64/02/295296402.db2.gz ACDXHNAEVYZPIC-MNOVXSKESA-N 2 0 264.335 2.969 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)C[C@@H]21 ZINC000342087612 295309827 /nfs/dbraw/zinc/30/98/27/295309827.db2.gz PKGURYXCJCQRGE-VJUNAUMWSA-N 2 0 274.383 2.872 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000422699606 295325230 /nfs/dbraw/zinc/32/52/30/295325230.db2.gz ASKVBRATYKNDPC-MSOLQXFVSA-N 2 0 285.435 2.595 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422702569 295332922 /nfs/dbraw/zinc/33/29/22/295332922.db2.gz LBDYREPUWBJVGM-UONOGXRCSA-N 2 0 286.423 2.745 20 0 CFADRP COc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037159 295362017 /nfs/dbraw/zinc/36/20/17/295362017.db2.gz GMNQLAHATFCOOB-GOEBONIOSA-N 2 0 274.408 2.659 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049554181 295365340 /nfs/dbraw/zinc/36/53/40/295365340.db2.gz VTONOQYTBJGWJY-KGLIPLIRSA-N 2 0 264.413 2.556 20 0 CFADRP COc1ncccc1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423143316 295465276 /nfs/dbraw/zinc/46/52/76/295465276.db2.gz WZJSFKQRZBHUGV-ZBFHGGJFSA-N 2 0 291.439 2.533 20 0 CFADRP C[C@H](CCC1CCCC1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349350088 298381367 /nfs/dbraw/zinc/38/13/67/298381367.db2.gz BTKZSTWKCXJAIQ-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000415027346 298398242 /nfs/dbraw/zinc/39/82/42/298398242.db2.gz WHNULYYPPSMRKW-ZMSDIMECSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000343438495 298416578 /nfs/dbraw/zinc/41/65/78/298416578.db2.gz FLFZHTYMTKYKEA-LVQVYYBASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccncc1)C[NH+]1CCCCC1 ZINC000038041737 298779917 /nfs/dbraw/zinc/77/99/17/298779917.db2.gz WEPWXYWSGKHQES-CABCVRRESA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000414817819 299004269 /nfs/dbraw/zinc/00/42/69/299004269.db2.gz TXSQKZVPWFGCFI-XDKFSHSGSA-N 3 0 287.451 2.717 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000235698621 300414269 /nfs/dbraw/zinc/41/42/69/300414269.db2.gz RFSWVHIYSYJFKO-QWRGUYRKSA-N 2 0 264.335 2.649 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000422940012 533694723 /nfs/dbraw/zinc/69/47/23/533694723.db2.gz MWMXXPNCEFAMPY-NXEZZACHSA-N 2 0 256.777 2.564 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCc2ccccc21 ZINC000423018462 300806629 /nfs/dbraw/zinc/80/66/29/300806629.db2.gz QYQAAZFSUFFDSJ-RYQLBKOJSA-N 2 0 272.436 2.998 20 0 CFADRP Cc1cc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C2CC2)ccc1F ZINC000423017577 301420936 /nfs/dbraw/zinc/42/09/36/301420936.db2.gz WQXFDSYIAUHWHM-MEDUHNTESA-N 2 0 262.372 2.783 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000423408962 302102844 /nfs/dbraw/zinc/10/28/44/302102844.db2.gz YFRUNTXPNXIKRG-OLMNPRSZSA-N 2 0 272.436 2.904 20 0 CFADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCOCC[NH3+] ZINC000420400156 302125358 /nfs/dbraw/zinc/12/53/58/302125358.db2.gz IJFMUIHTJNQRMB-MRXNPFEDSA-N 2 0 264.413 2.647 20 0 CFADRP Cc1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192706292 302387156 /nfs/dbraw/zinc/38/71/56/302387156.db2.gz VTKLMVVZPBCZEM-PBHICJAKSA-N 2 0 271.408 2.843 20 0 CFADRP Cc1ncc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000344214477 302697965 /nfs/dbraw/zinc/69/79/65/302697965.db2.gz GUDFTBKQFJOJFD-UHFFFAOYSA-N 2 0 276.428 2.531 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000304259425 303375816 /nfs/dbraw/zinc/37/58/16/303375816.db2.gz STJOLCPAHKMXDR-ZDUSSCGKSA-N 2 0 283.213 2.765 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423146019 303408991 /nfs/dbraw/zinc/40/89/91/303408991.db2.gz NNUQNKPAYVZEFP-IUIKQTSFSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000423399757 303466011 /nfs/dbraw/zinc/46/60/11/303466011.db2.gz UYRUDUUVIKJCDV-IPYPFGDCSA-N 2 0 278.371 2.899 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422749879 303467110 /nfs/dbraw/zinc/46/71/10/303467110.db2.gz BHXQNTSLEQSVDB-HZPDHXFCSA-N 2 0 279.472 2.645 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cccn2C)C1 ZINC000161665829 322355196 /nfs/dbraw/zinc/35/51/96/322355196.db2.gz GETOVPRWPLNMCV-HZPDHXFCSA-N 2 0 277.456 2.873 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cnccn1 ZINC000164625127 322383350 /nfs/dbraw/zinc/38/33/50/322383350.db2.gz PZCDIVUINIAFAS-HNNXBMFYSA-N 2 0 276.428 2.783 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000168293292 322389259 /nfs/dbraw/zinc/38/92/59/322389259.db2.gz JXSVHLCHBLXCNY-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000168293497 322389328 /nfs/dbraw/zinc/38/93/28/322389328.db2.gz JXSVHLCHBLXCNY-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000569591855 322484002 /nfs/dbraw/zinc/48/40/02/322484002.db2.gz DIGJOKOSLXHLGU-ZDUSSCGKSA-N 2 0 289.423 2.610 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000569747001 322494639 /nfs/dbraw/zinc/49/46/39/322494639.db2.gz LPLMZDIHMQWZNF-CYBMUJFWSA-N 2 0 292.423 2.783 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000569833982 322500055 /nfs/dbraw/zinc/50/00/55/322500055.db2.gz QEEVNEMIFZVFFZ-OAHLLOKOSA-N 2 0 250.361 2.792 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000570143958 322516047 /nfs/dbraw/zinc/51/60/47/322516047.db2.gz OJWZAZYBAVNZNR-CHWSQXEVSA-N 2 0 290.436 2.541 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000570291934 322525143 /nfs/dbraw/zinc/52/51/43/322525143.db2.gz KKNZKQQIGLIIKZ-CQSZACIVSA-N 2 0 276.428 2.702 20 0 CFADRP Cc1ccccc1CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000570808704 322553245 /nfs/dbraw/zinc/55/32/45/322553245.db2.gz XAQKSLQQOBBQOF-UHFFFAOYSA-N 2 0 260.425 2.988 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000570899832 322557830 /nfs/dbraw/zinc/55/78/30/322557830.db2.gz KYUORKDBIRUETJ-CQSZACIVSA-N 2 0 293.455 2.936 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000571451112 322583949 /nfs/dbraw/zinc/58/39/49/322583949.db2.gz YUASSVFEGZXXGG-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP Cc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000571504407 322585491 /nfs/dbraw/zinc/58/54/91/322585491.db2.gz BAGYITGYNJJJCO-CQSZACIVSA-N 2 0 252.427 2.987 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000573137321 322645822 /nfs/dbraw/zinc/64/58/22/322645822.db2.gz KMQHANIAORTKLR-MSOLQXFVSA-N 2 0 290.451 2.885 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)C1 ZINC000573220591 322649102 /nfs/dbraw/zinc/64/91/02/322649102.db2.gz GRQUXYJLRRMKTC-SUNKGSAMSA-N 2 0 264.344 2.509 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000574191176 322684371 /nfs/dbraw/zinc/68/43/71/322684371.db2.gz RQGBEYUNQFUXCJ-STQMWFEESA-N 2 0 250.386 2.782 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccnc1 ZINC000185359155 323965155 /nfs/dbraw/zinc/96/51/55/323965155.db2.gz IXNGYYBRBFYYDS-MRXNPFEDSA-N 2 0 261.413 2.854 20 0 CFADRP COCCC1(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000189179452 324025462 /nfs/dbraw/zinc/02/54/62/324025462.db2.gz XVMUZPZHRARYIP-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000191783698 324053957 /nfs/dbraw/zinc/05/39/57/324053957.db2.gz ISEXILVWWWRSIK-HNNXBMFYSA-N 2 0 270.461 2.734 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191825203 324054804 /nfs/dbraw/zinc/05/48/04/324054804.db2.gz CKXQZTDGTPLZMA-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000191977222 324055889 /nfs/dbraw/zinc/05/58/89/324055889.db2.gz DHDSRQISRWDKHW-UHFFFAOYSA-N 2 0 297.402 2.591 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000191951138 324056073 /nfs/dbraw/zinc/05/60/73/324056073.db2.gz FNWRPESUCQOSGH-IAGOWNOFSA-N 2 0 276.424 2.838 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CCCC1 ZINC000211950457 324110812 /nfs/dbraw/zinc/11/08/12/324110812.db2.gz KCPUIPZRDHWOHA-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351112717 324314592 /nfs/dbraw/zinc/31/45/92/324314592.db2.gz XHXAEJCAEUTENU-RYUDHWBXSA-N 2 0 297.362 2.757 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)CC(C)(C)C)N1CC[NH+](C)CC1 ZINC000384637795 324449510 /nfs/dbraw/zinc/44/95/10/324449510.db2.gz AILYZUFHDLPMNF-CVEARBPZSA-N 2 0 283.504 2.673 20 0 CFADRP c1ccc(COC2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000577214657 324710597 /nfs/dbraw/zinc/71/05/97/324710597.db2.gz VTHZEOYAMDDPLA-BOAJJUGWSA-N 2 0 286.419 2.607 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000578756819 324885487 /nfs/dbraw/zinc/88/54/87/324885487.db2.gz VIYUSURRRQFHHZ-LLVKDONJSA-N 2 0 267.442 2.672 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000578906639 324901728 /nfs/dbraw/zinc/90/17/28/324901728.db2.gz QGIHCOPPIMMQGY-MRVWCRGKSA-N 2 0 282.815 2.967 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccn1 ZINC000579580796 324961719 /nfs/dbraw/zinc/96/17/19/324961719.db2.gz KPUNPUKIJQVHMV-MRXNPFEDSA-N 2 0 261.413 2.758 20 0 CFADRP c1cc2c(cc1CSCC1CC[NH2+]CC1)C[NH2+]CC2 ZINC000579597800 324964128 /nfs/dbraw/zinc/96/41/28/324964128.db2.gz FNKYEFOOBZPOCU-UHFFFAOYSA-N 2 0 276.449 2.565 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000580311904 325024514 /nfs/dbraw/zinc/02/45/14/325024514.db2.gz WLDMBQBUWHWORP-BPQIPLTHSA-N 2 0 272.436 2.797 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCN(C)c2ccccc2)C1 ZINC000581128627 325092912 /nfs/dbraw/zinc/09/29/12/325092912.db2.gz YIPKHVYWXYHBOZ-KRWDZBQOSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000581190821 325098945 /nfs/dbraw/zinc/09/89/45/325098945.db2.gz AMEUPJAFGYSPAB-STQMWFEESA-N 2 0 278.444 2.683 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000581199835 325100262 /nfs/dbraw/zinc/10/02/62/325100262.db2.gz KEPINWZTJORDKX-LTIDMASMSA-N 2 0 274.408 2.766 20 0 CFADRP FC(F)c1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000581279739 325107057 /nfs/dbraw/zinc/10/70/57/325107057.db2.gz JJJDCUMUQFWINM-GFCCVEGCSA-N 2 0 277.318 2.994 20 0 CFADRP CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581315625 325110560 /nfs/dbraw/zinc/11/05/60/325110560.db2.gz LIXXHEJVNLZDKY-GOSISDBHSA-N 2 0 288.435 2.579 20 0 CFADRP CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581315626 325110591 /nfs/dbraw/zinc/11/05/91/325110591.db2.gz LIXXHEJVNLZDKY-SFHVURJKSA-N 2 0 288.435 2.579 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000581476159 325125002 /nfs/dbraw/zinc/12/50/02/325125002.db2.gz CVVIFAJFHKZETR-DGCLKSJQSA-N 2 0 290.436 2.745 20 0 CFADRP c1ccc([C@H]2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000581878484 325155624 /nfs/dbraw/zinc/15/56/24/325155624.db2.gz JBIRBYJZXLTAKB-DLBZAZTESA-N 2 0 258.409 2.912 20 0 CFADRP c1ccc([C@H]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000581878486 325155642 /nfs/dbraw/zinc/15/56/42/325155642.db2.gz JBIRBYJZXLTAKB-IRXDYDNUSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000581931364 325160646 /nfs/dbraw/zinc/16/06/46/325160646.db2.gz QCHHUMPYOOXZOY-RDBSUJKOSA-N 2 0 286.423 2.601 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000581997120 325167546 /nfs/dbraw/zinc/16/75/46/325167546.db2.gz YDIRRKQAJUJZJJ-GJZGRUSLSA-N 2 0 290.455 2.698 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000582129784 325179223 /nfs/dbraw/zinc/17/92/23/325179223.db2.gz CGFWBKIOJFXLTC-FUHWJXTLSA-N 2 0 292.467 2.984 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccccc1 ZINC000582414368 325203012 /nfs/dbraw/zinc/20/30/12/325203012.db2.gz CDTCYWJBHIEGSU-STQMWFEESA-N 2 0 252.427 2.635 20 0 CFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1[NH3+])CC2 ZINC000582600335 325218000 /nfs/dbraw/zinc/21/80/00/325218000.db2.gz STWUIALPFRMYPW-OWCLPIDISA-N 2 0 290.455 2.571 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)C1 ZINC000582615671 325219945 /nfs/dbraw/zinc/21/99/45/325219945.db2.gz AQCGNNGTSJSILB-MNOVXSKESA-N 2 0 272.314 2.506 20 0 CFADRP CCCOc1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000582654101 325222770 /nfs/dbraw/zinc/22/27/70/325222770.db2.gz QAVCQWUGSXTBHA-HNNXBMFYSA-N 2 0 264.413 2.938 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000583440725 325287656 /nfs/dbraw/zinc/28/76/56/325287656.db2.gz SIRPEIRIYJQEIY-WBVHZDCISA-N 2 0 260.425 2.968 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000583882579 325316937 /nfs/dbraw/zinc/31/69/37/325316937.db2.gz MRIPIZAVCWJDDU-KBPBESRZSA-N 2 0 290.407 2.552 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000583882581 325317041 /nfs/dbraw/zinc/31/70/41/325317041.db2.gz MRIPIZAVCWJDDU-UONOGXRCSA-N 2 0 290.407 2.552 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000583928530 325319065 /nfs/dbraw/zinc/31/90/65/325319065.db2.gz CDRLOYCMEPQBNE-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OC(C)C ZINC000584166936 325335292 /nfs/dbraw/zinc/33/52/92/325335292.db2.gz RCHXZFSCGLKYTQ-STQMWFEESA-N 2 0 280.412 2.698 20 0 CFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1cnc(-c2ccccc2)nc1 ZINC000584291970 325343988 /nfs/dbraw/zinc/34/39/88/325343988.db2.gz OPHZPDVPAVOPTG-QGZVFWFLSA-N 2 0 298.434 2.949 20 0 CFADRP C[N@@H+]1CC[C@H](c2ccc(C=C3CC[NH2+]CC3)cc2)C1 ZINC001240879301 782095038 /nfs/dbraw/zinc/09/50/38/782095038.db2.gz OOOJVTNBDZTISS-KRWDZBQOSA-N 2 0 256.393 2.873 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000584361299 329102459 /nfs/dbraw/zinc/10/24/59/329102459.db2.gz KMMOZUKNYWSWPS-KFWWJZLASA-N 2 0 256.434 2.687 20 0 CFADRP Brc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000168731085 518212328 /nfs/dbraw/zinc/21/23/28/518212328.db2.gz ZDVLGTOYSLQNMF-SECBINFHSA-N 2 0 289.242 2.742 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCC(O)CC1)[NH+]1CCCCCC1 ZINC000353439846 519794810 /nfs/dbraw/zinc/79/48/10/519794810.db2.gz JTJRIWHBOSJGCN-OFLPRAFFSA-N 2 0 282.472 2.780 20 0 CFADRP Cn1c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc2ccccc21 ZINC001243354522 782153878 /nfs/dbraw/zinc/15/38/78/782153878.db2.gz QANKDKURJRWDLZ-UHFFFAOYSA-N 2 0 292.386 2.650 20 0 CFADRP CCCC[C@@H](CC)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000069378350 521037714 /nfs/dbraw/zinc/03/77/14/521037714.db2.gz WJKKKHXWJAFJSU-SJORKVTESA-N 2 0 283.504 2.817 20 0 CFADRP CCCC[C@H](CC)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000069378355 521181440 /nfs/dbraw/zinc/18/14/40/521181440.db2.gz WJKKKHXWJAFJSU-IRXDYDNUSA-N 2 0 283.504 2.817 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000423179212 533755135 /nfs/dbraw/zinc/75/51/35/533755135.db2.gz JFFWRNOJOOUERR-NOLJZWGESA-N 2 0 262.397 2.516 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423178233 533756410 /nfs/dbraw/zinc/75/64/10/533756410.db2.gz IDQOSZGTAJGQBM-HUHSQHJXSA-N 2 0 288.435 2.919 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422718742 533775467 /nfs/dbraw/zinc/77/54/67/533775467.db2.gz XMBNGCBLCDDCQI-OPFPJEHXSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)CC(C)(C)C[NH3+])cc1F ZINC000414653704 533776709 /nfs/dbraw/zinc/77/67/09/533776709.db2.gz BIRRVSOKBDTHJX-ZDUSSCGKSA-N 2 0 296.430 2.930 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414883428 533771792 /nfs/dbraw/zinc/77/17/92/533771792.db2.gz UWLJQXUVDPZRHA-JTQLQIEISA-N 2 0 263.772 2.573 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423012939 533789386 /nfs/dbraw/zinc/78/93/86/533789386.db2.gz LONIJFMIBNNREF-JJRVBVJISA-N 2 0 276.424 2.604 20 0 CFADRP C[C@H]([NH2+]C1CC(c2ccc(F)c(Cl)c2)C1)C1C[NH2+]C1 ZINC000423101533 533792968 /nfs/dbraw/zinc/79/29/68/533792968.db2.gz NKJXIMFKCCOLPI-FJJSSXBZSA-N 2 0 282.790 2.923 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cn1 ZINC000423197904 533794219 /nfs/dbraw/zinc/79/42/19/533794219.db2.gz BWUQMMTVENGVIC-AWEZNQCLSA-N 2 0 291.439 2.663 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000423289197 533800017 /nfs/dbraw/zinc/80/00/17/533800017.db2.gz ANRKOUAUJSUCKL-UONOGXRCSA-N 2 0 299.418 2.831 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1C ZINC000414780236 533808263 /nfs/dbraw/zinc/80/82/63/533808263.db2.gz LCPJKJAWMIECCK-SJORKVTESA-N 2 0 288.435 2.825 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414696462 533839642 /nfs/dbraw/zinc/83/96/42/533839642.db2.gz HRGFDTDRPHFOQF-IIDMSEBBSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000423116489 533845671 /nfs/dbraw/zinc/84/56/71/533845671.db2.gz QAGSBMMDRPJCGA-RDBSUJKOSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1F ZINC000422788866 533845814 /nfs/dbraw/zinc/84/58/14/533845814.db2.gz NTGSVMOFNBQPPF-OLZOCXBDSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000422767033 533846043 /nfs/dbraw/zinc/84/60/43/533846043.db2.gz SBHKFMGLMIWKAW-RBSFLKMASA-N 2 0 270.461 2.935 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1cccc(-c2ccncc2)c1 ZINC000423179412 533846203 /nfs/dbraw/zinc/84/62/03/533846203.db2.gz DCHOHGGEEMBEKZ-ZDUSSCGKSA-N 2 0 255.365 2.748 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000415016464 533846462 /nfs/dbraw/zinc/84/64/62/533846462.db2.gz PVDZDTFOKHBAKZ-LLVKDONJSA-N 2 0 298.814 2.718 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423194849 533848021 /nfs/dbraw/zinc/84/80/21/533848021.db2.gz RWXNPBOHABMRHR-LPEHRKFASA-N 2 0 258.818 2.832 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccccc1Cl ZINC000422775689 533844860 /nfs/dbraw/zinc/84/48/60/533844860.db2.gz BEXABIOPNWFHJO-GFCCVEGCSA-N 2 0 254.805 2.990 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)COc1cccc(F)c1 ZINC000422738815 533850421 /nfs/dbraw/zinc/85/04/21/533850421.db2.gz JZUJRHFPTULLDL-OLZOCXBDSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415008198 533852482 /nfs/dbraw/zinc/85/24/82/533852482.db2.gz CTNHOXMASVELHJ-HYVNUMGLSA-N 2 0 275.440 2.587 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422949958 533849723 /nfs/dbraw/zinc/84/97/23/533849723.db2.gz WVNFBPPATLHGPN-GFCCVEGCSA-N 2 0 286.366 2.938 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423239633 533866185 /nfs/dbraw/zinc/86/61/85/533866185.db2.gz BOMPQUGAQPCWFN-NWDGAFQWSA-N 2 0 264.438 2.887 20 0 CFADRP C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C1C[NH2+]C1 ZINC000422722520 533867681 /nfs/dbraw/zinc/86/76/81/533867681.db2.gz YFTWILPIQASNNJ-VIFPVBQESA-N 2 0 273.207 2.733 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423460314 533868038 /nfs/dbraw/zinc/86/80/38/533868038.db2.gz RVNPBSDHCQFVDK-VQCLRJIVSA-N 2 0 268.445 2.974 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCCN(C)c1ccccc1 ZINC000422730111 533868461 /nfs/dbraw/zinc/86/84/61/533868461.db2.gz DGLJXDMFOAHDLX-OAHLLOKOSA-N 2 0 263.429 2.620 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000415026026 533871836 /nfs/dbraw/zinc/87/18/36/533871836.db2.gz SMEGRYJVWCZXIP-OAHLLOKOSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000422918926 533869716 /nfs/dbraw/zinc/86/97/16/533869716.db2.gz IZYGELWEEDWMEE-NEPJUHHUSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000422762422 533869847 /nfs/dbraw/zinc/86/98/47/533869847.db2.gz NTXIHMGUGQWXSP-RDBSUJKOSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H](OCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422782596 533881114 /nfs/dbraw/zinc/88/11/14/533881114.db2.gz JUFLESJCDXOANG-ZMSDIMECSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423466822 533883195 /nfs/dbraw/zinc/88/31/95/533883195.db2.gz TYVKSXNZYUJFLT-YWPYICTPSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423344857 533889300 /nfs/dbraw/zinc/88/93/00/533889300.db2.gz YJSOZWYKULCVPN-YJBOKZPZSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(F)c1 ZINC000423321092 533890319 /nfs/dbraw/zinc/89/03/19/533890319.db2.gz GCKHISCSCMUTLB-WFASDCNBSA-N 2 0 250.361 2.866 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OC(F)F ZINC000415028325 533892473 /nfs/dbraw/zinc/89/24/73/533892473.db2.gz YPEZRLYIYLDWSR-JTQLQIEISA-N 2 0 288.338 2.514 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414884424 533900610 /nfs/dbraw/zinc/90/06/10/533900610.db2.gz OBQHMOBNFNXLGN-SNVBAGLBSA-N 2 0 263.772 2.715 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422909912 533908968 /nfs/dbraw/zinc/90/89/68/533908968.db2.gz PKMNIWXOKNNMPK-LXZKKBNFSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3CCC3)CC2)C[C@H](C)O1 ZINC000177506787 533926772 /nfs/dbraw/zinc/92/67/72/533926772.db2.gz RBVJMNBHUGRUIH-HOTGVXAUSA-N 2 0 294.483 2.998 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000158196263 522579308 /nfs/dbraw/zinc/57/93/08/522579308.db2.gz ZKGQINQTVHIIMW-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000414853086 533939187 /nfs/dbraw/zinc/93/91/87/533939187.db2.gz KRLANSQUVSXIQA-STQMWFEESA-N 2 0 258.365 2.911 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cnn1-c1ccc(F)cc1 ZINC000423227355 533942435 /nfs/dbraw/zinc/94/24/35/533942435.db2.gz VJTLVIBLSVAMSA-NWDGAFQWSA-N 2 0 290.386 2.708 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C[C@@H](c2ccccc2)C1 ZINC000423298734 533944602 /nfs/dbraw/zinc/94/46/02/533944602.db2.gz ADTKHIIQMHPTQR-JQFCIGGWSA-N 2 0 258.409 2.768 20 0 CFADRP COc1cc(F)c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000422732121 533988879 /nfs/dbraw/zinc/98/88/79/533988879.db2.gz OWVGCXIUQAGDEU-GHMZBOCLSA-N 2 0 284.375 2.621 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H](C)C2C[NH2+]C2)CCCC1 ZINC000422743646 533999355 /nfs/dbraw/zinc/99/93/55/533999355.db2.gz URWQURXCWDGPML-AWEZNQCLSA-N 2 0 288.435 2.705 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422852678 534002297 /nfs/dbraw/zinc/00/22/97/534002297.db2.gz QZQIEIRROYXTNE-HOCLYGCPSA-N 2 0 288.435 2.705 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000425351611 534002560 /nfs/dbraw/zinc/00/25/60/534002560.db2.gz MDHWPILUJXELRN-RBSFLKMASA-N 2 0 270.486 2.838 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423159554 534014880 /nfs/dbraw/zinc/01/48/80/534014880.db2.gz FXOKYFXZPZFPDD-DXCKQFNASA-N 2 0 294.414 2.872 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1Cl ZINC000422927206 534054285 /nfs/dbraw/zinc/05/42/85/534054285.db2.gz YJRIOQLMGFVJCV-ICIURTGMSA-N 2 0 294.826 2.980 20 0 CFADRP C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)C[NH+](C)C ZINC000425945909 534055016 /nfs/dbraw/zinc/05/50/16/534055016.db2.gz MQEKJXDWDIPTJN-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000414791374 534055775 /nfs/dbraw/zinc/05/57/75/534055775.db2.gz QHMUGGXPOGINLR-NSHDSACASA-N 2 0 297.240 2.894 20 0 CFADRP Cc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1F ZINC000414898058 534055870 /nfs/dbraw/zinc/05/58/70/534055870.db2.gz FTSWNNDHIRDVTQ-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@H](C[NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000414900169 534057783 /nfs/dbraw/zinc/05/77/83/534057783.db2.gz HUHQSJZZCCFMJF-ZDUSSCGKSA-N 2 0 264.388 2.909 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000414892391 534059692 /nfs/dbraw/zinc/05/96/92/534059692.db2.gz PPIJLLZJGABJNS-HZMBPMFUSA-N 2 0 297.240 2.880 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2cnn(C)c2)c1 ZINC000414911627 534059502 /nfs/dbraw/zinc/05/95/02/534059502.db2.gz WYVZTEVYQMSCGM-QGZVFWFLSA-N 2 0 298.434 2.627 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000422768756 534069051 /nfs/dbraw/zinc/06/90/51/534069051.db2.gz UWEVGJOAGRZKCX-WCVJEAGWSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000422768754 534069326 /nfs/dbraw/zinc/06/93/26/534069326.db2.gz UWEVGJOAGRZKCX-LVQVYYBASA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423152150 534073921 /nfs/dbraw/zinc/07/39/21/534073921.db2.gz DQYZNUSZXCRAFL-ZYHUDNBSSA-N 2 0 287.329 2.578 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000423133441 534074529 /nfs/dbraw/zinc/07/45/29/534074529.db2.gz KMKJRLVXNFRMJO-BSWAZPDLSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422834574 534075054 /nfs/dbraw/zinc/07/50/54/534075054.db2.gz HWAMTNDYPRZINH-XYPHTWIQSA-N 2 0 290.476 2.995 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000422759533 534076479 /nfs/dbraw/zinc/07/64/79/534076479.db2.gz KXXHITMWAUXMEV-ZOBUZTSGSA-N 2 0 276.424 2.569 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414684739 534078272 /nfs/dbraw/zinc/07/82/72/534078272.db2.gz WOCGCRNZEPHMRW-KBPBESRZSA-N 2 0 280.387 2.524 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000414790475 534089601 /nfs/dbraw/zinc/08/96/01/534089601.db2.gz GRMAQGLVIGJPSW-JSGCOSHPSA-N 2 0 297.240 2.975 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422759995 534095335 /nfs/dbraw/zinc/09/53/35/534095335.db2.gz LITZAVOGQYRUHO-MWWBDVBNSA-N 2 0 254.443 2.533 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422816750 534108739 /nfs/dbraw/zinc/10/87/39/534108739.db2.gz BGWJKBNZSOSQIE-BHYGNILZSA-N 2 0 290.451 2.992 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000425361576 534111399 /nfs/dbraw/zinc/11/13/99/534111399.db2.gz UGOYTOZJEHLIFI-HOTGVXAUSA-N 2 0 291.464 2.782 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422816756 534108855 /nfs/dbraw/zinc/10/88/55/534108855.db2.gz BGWJKBNZSOSQIE-USXIJHARSA-N 2 0 290.451 2.992 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422818069 534122871 /nfs/dbraw/zinc/12/28/71/534122871.db2.gz FKJVXFOZHMWKNG-LZWOXQAQSA-N 2 0 278.440 2.978 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000414877323 534148253 /nfs/dbraw/zinc/14/82/53/534148253.db2.gz MKJOEBNQKBOKFY-ZYHUDNBSSA-N 2 0 297.830 2.550 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781481 534158950 /nfs/dbraw/zinc/15/89/50/534158950.db2.gz MZDKVRKADQXAAY-GJZGRUSLSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423224414 534175244 /nfs/dbraw/zinc/17/52/44/534175244.db2.gz JCPUSJUFESNVCT-ZLPCBKJTSA-N 3 0 289.467 2.757 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101671 534176172 /nfs/dbraw/zinc/17/61/72/534176172.db2.gz WGKHATSBPLBUNT-UHXUCMFUSA-N 2 0 250.361 2.787 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957697 534176591 /nfs/dbraw/zinc/17/65/91/534176591.db2.gz UXZCLDWVUUOWDZ-KBPBESRZSA-N 2 0 293.480 2.773 20 0 CFADRP CSc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423096270 534200903 /nfs/dbraw/zinc/20/09/03/534200903.db2.gz OLIZLFADUVASOS-NWDGAFQWSA-N 2 0 252.427 2.666 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422827408 534209094 /nfs/dbraw/zinc/20/90/94/534209094.db2.gz DOGVAGNLYWYQNC-GOEBONIOSA-N 2 0 290.455 2.548 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414666427 534289109 /nfs/dbraw/zinc/28/91/09/534289109.db2.gz GISSIZOKLVEJDY-SNVBAGLBSA-N 2 0 298.333 2.567 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423274268 534336054 /nfs/dbraw/zinc/33/60/54/534336054.db2.gz LRKKTMNHIBYAOF-NEPJUHHUSA-N 2 0 296.436 2.575 20 0 CFADRP Cc1ccn2c(C[NH2+]C3CCC([NH+](C)C)CC3)cnc2c1 ZINC000421367573 534348453 /nfs/dbraw/zinc/34/84/53/534348453.db2.gz FCAPWZLCIWVYQX-UHFFFAOYSA-N 2 0 286.423 2.605 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000311258498 518375010 /nfs/dbraw/zinc/37/50/10/518375010.db2.gz LRPAWCPRSHOGMC-PHCRLAQASA-N 2 0 256.393 2.916 20 0 CFADRP FC(F)(F)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423111022 534378894 /nfs/dbraw/zinc/37/88/94/534378894.db2.gz PVDJZBWNRRSTAH-ZACCUICWSA-N 2 0 262.319 2.592 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360253623 518935884 /nfs/dbraw/zinc/93/58/84/518935884.db2.gz ZQZFIBZYAKAPLX-ARFHVFGLSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)(C)c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000312874228 519099519 /nfs/dbraw/zinc/09/95/19/519099519.db2.gz UPSAHCZDILSXET-BETUJISGSA-N 2 0 293.480 2.872 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414857153 534419635 /nfs/dbraw/zinc/41/96/35/534419635.db2.gz PAIQBENVNVCCFC-VIFPVBQESA-N 2 0 278.343 2.856 20 0 CFADRP CC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000151132805 519415758 /nfs/dbraw/zinc/41/57/58/519415758.db2.gz TYTPLZGYKQGFMF-OAHLLOKOSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000361014922 519422176 /nfs/dbraw/zinc/42/21/76/519422176.db2.gz XXZAPLKLTGQVHJ-IRXDYDNUSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)=CCC[C@H](C)CC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000170670508 519423260 /nfs/dbraw/zinc/42/32/60/519423260.db2.gz BDZDOXIRDZODLM-SFHVURJKSA-N 2 0 295.515 2.986 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]CCOCC[NH+](C)C)cc1 ZINC000226745501 519438266 /nfs/dbraw/zinc/43/82/66/519438266.db2.gz LXQCIWIOTCLDEQ-UHFFFAOYSA-N 2 0 278.440 2.553 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cncn1C ZINC000236659927 519630840 /nfs/dbraw/zinc/63/08/40/519630840.db2.gz TZIDFVBZQMBBRN-UHFFFAOYSA-N 2 0 286.423 2.550 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1 ZINC000163583120 519653667 /nfs/dbraw/zinc/65/36/67/519653667.db2.gz XNSJKEVATKAMLX-HNNXBMFYSA-N 2 0 290.455 2.885 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000163584730 519653877 /nfs/dbraw/zinc/65/38/77/519653877.db2.gz VGOQBPYRTIPAJW-HNNXBMFYSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3C=CCCC3)CC2)CC1 ZINC000336173340 519669869 /nfs/dbraw/zinc/66/98/69/519669869.db2.gz AAEIHYREGTXDHF-KRWDZBQOSA-N 2 0 291.483 2.586 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000302571242 519672823 /nfs/dbraw/zinc/67/28/23/519672823.db2.gz PGFGKJXWEMQMKK-ZDUSSCGKSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671625 519673238 /nfs/dbraw/zinc/67/32/38/519673238.db2.gz SWCAUDMDZCWQOV-XHSDSOJGSA-N 2 0 280.456 2.652 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000158029044 519673261 /nfs/dbraw/zinc/67/32/61/519673261.db2.gz UWHTWWMZFFNNRM-AWEZNQCLSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)CC[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000361243664 519692472 /nfs/dbraw/zinc/69/24/72/519692472.db2.gz JWLJUDWMAKHTTM-INIZCTEOSA-N 2 0 270.461 2.588 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414834197 534445908 /nfs/dbraw/zinc/44/59/08/534445908.db2.gz QLPCRLABRBPDTC-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414327888 534446736 /nfs/dbraw/zinc/44/67/36/534446736.db2.gz GVHSEXFEQOUQSB-IJEWVQPXSA-N 2 0 275.440 2.678 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000339501474 519770604 /nfs/dbraw/zinc/77/06/04/519770604.db2.gz XSQTYXCAIRNQPN-OAHLLOKOSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000045598266 519783185 /nfs/dbraw/zinc/78/31/85/519783185.db2.gz DRJCDZWPYFTTPC-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000079978537 519795152 /nfs/dbraw/zinc/79/51/52/519795152.db2.gz UMLJZNDVJJLMEX-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000227535741 519816242 /nfs/dbraw/zinc/81/62/42/519816242.db2.gz HYTYKGRMPLZFPU-SQNIBIBYSA-N 2 0 287.451 2.841 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+]([C@H]3C=CCCC3)CC2)CC1 ZINC000360536410 519844435 /nfs/dbraw/zinc/84/44/35/519844435.db2.gz KDKBOZDSVPABGD-KRWDZBQOSA-N 2 0 291.483 2.587 20 0 CFADRP CC(C)c1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000336128336 519850132 /nfs/dbraw/zinc/85/01/32/519850132.db2.gz XDVLHSHKRLDFQX-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cs1 ZINC000360837578 519861677 /nfs/dbraw/zinc/86/16/77/519861677.db2.gz PYSCCEJOFMVAHU-TZMCWYRMSA-N 2 0 281.469 2.739 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000309989090 519914434 /nfs/dbraw/zinc/91/44/34/519914434.db2.gz ZBJZXRBPTMFPNS-UHFFFAOYSA-N 2 0 290.451 2.915 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000261952184 519914536 /nfs/dbraw/zinc/91/45/36/519914536.db2.gz NGAFQOLCNQLEOZ-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414828051 534465535 /nfs/dbraw/zinc/46/55/35/534465535.db2.gz IHIQKWGHULNFMT-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP CC1(C)CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000336131661 520284735 /nfs/dbraw/zinc/28/47/35/520284735.db2.gz LSBCKMBSOIRKJK-CVEARBPZSA-N 2 0 280.456 2.533 20 0 CFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422942789 534483775 /nfs/dbraw/zinc/48/37/75/534483775.db2.gz QBLIJHCYCIBGOX-BBWFWOEESA-N 2 0 292.398 2.715 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000085398480 520365607 /nfs/dbraw/zinc/36/56/07/520365607.db2.gz MRBPSQCXHNQIFZ-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414847050 534489657 /nfs/dbraw/zinc/48/96/57/534489657.db2.gz NXSFLAMGOJDOCB-HRCADAONSA-N 2 0 262.372 2.803 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423563901 534498102 /nfs/dbraw/zinc/49/81/02/534498102.db2.gz RRPKDFORNFNMAX-MRXNPFEDSA-N 2 0 262.372 2.935 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423332547 534499047 /nfs/dbraw/zinc/49/90/47/534499047.db2.gz DJUVCOUOXDLWGK-AEFFLSMTSA-N 2 0 286.419 2.664 20 0 CFADRP CCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182957085 520570319 /nfs/dbraw/zinc/57/03/19/520570319.db2.gz GQSHSAZMARLQCH-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@]3(CC[NH2+]C3)C1)CCC2 ZINC000420302664 534501854 /nfs/dbraw/zinc/50/18/54/534501854.db2.gz GIMDCCNNTZYNGJ-SJORKVTESA-N 2 0 274.383 2.889 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000157680175 520575978 /nfs/dbraw/zinc/57/59/78/520575978.db2.gz ORIQXAALBIHBIY-HNNXBMFYSA-N 2 0 278.444 2.516 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)C[C@H]1C ZINC000361174975 520582758 /nfs/dbraw/zinc/58/27/58/520582758.db2.gz KCQDYSISOISZPX-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000070344711 520624591 /nfs/dbraw/zinc/62/45/91/520624591.db2.gz YKAPEXBURJJOKQ-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CCn1cc(C[NH2+][C@H](C)CCC[NH+](CC)CC)cn1 ZINC000050539405 520632000 /nfs/dbraw/zinc/63/20/00/520632000.db2.gz ZBOLJLOPNXFOCX-CQSZACIVSA-N 2 0 266.433 2.503 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000336711914 520636305 /nfs/dbraw/zinc/63/63/05/520636305.db2.gz PZHVYEASRWGGHZ-IHRRRGAJSA-N 2 0 258.475 2.838 20 0 CFADRP c1cncc(-c2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)c1 ZINC000414915018 534507488 /nfs/dbraw/zinc/50/74/88/534507488.db2.gz LTHCLYOUUDGROS-GOSISDBHSA-N 2 0 281.403 2.980 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000423242211 534509251 /nfs/dbraw/zinc/50/92/51/534509251.db2.gz DYXVUVMNGIZXDS-ZMSDIMECSA-N 2 0 273.424 2.697 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000423242208 534509628 /nfs/dbraw/zinc/50/96/28/534509628.db2.gz DYXVUVMNGIZXDS-BFYDXBDKSA-N 2 0 273.424 2.697 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](COC)C1CC1 ZINC000361924020 520724787 /nfs/dbraw/zinc/72/47/87/520724787.db2.gz MKFUXKUQUMEUKP-BBWFWOEESA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000063466424 520758426 /nfs/dbraw/zinc/75/84/26/520758426.db2.gz MZWNNRHXFIOZNB-UHFFFAOYSA-N 2 0 291.439 2.807 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]C3CCC(O)CC3)CC2)CC1 ZINC000336119044 520995136 /nfs/dbraw/zinc/99/51/36/520995136.db2.gz RULIMSPYWIMDAJ-UHFFFAOYSA-N 2 0 294.483 2.923 20 0 CFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000162839775 521024363 /nfs/dbraw/zinc/02/43/63/521024363.db2.gz NWEMYBDMLSZPKB-SJORKVTESA-N 2 0 289.467 2.975 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CCCCC1 ZINC000414849602 534549923 /nfs/dbraw/zinc/54/99/23/534549923.db2.gz XXNYKPINAAJXTN-UHFFFAOYSA-N 2 0 284.407 2.624 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000422914562 534561090 /nfs/dbraw/zinc/56/10/90/534561090.db2.gz UTBYDVHHUFBXRJ-OFLPRAFFSA-N 2 0 258.409 2.867 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(C)c2)CC1 ZINC000050545700 521551548 /nfs/dbraw/zinc/55/15/48/521551548.db2.gz MZDWTLCQTSNHLG-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP CCSCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000366679499 521708463 /nfs/dbraw/zinc/70/84/63/521708463.db2.gz HOPBUASHTBLMLH-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3C)C1 ZINC000163225486 521711194 /nfs/dbraw/zinc/71/11/94/521711194.db2.gz OLBNHOLUEPWDTJ-WMLDXEAASA-N 2 0 258.409 2.914 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)[C@H](C)C1 ZINC000305768422 521721178 /nfs/dbraw/zinc/72/11/78/521721178.db2.gz KKIGWAVIDBGXQL-LTIDMASMSA-N 2 0 282.472 2.638 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000414914025 534605327 /nfs/dbraw/zinc/60/53/27/534605327.db2.gz WPNAUNDGVTVVGV-UHFFFAOYSA-N 2 0 261.394 2.639 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000361076433 522285913 /nfs/dbraw/zinc/28/59/13/522285913.db2.gz PLQQQASPEMGVPS-JKSUJKDBSA-N 2 0 270.461 2.758 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000163604138 522346219 /nfs/dbraw/zinc/34/62/19/522346219.db2.gz CLQKZENJLFRBLK-QGZVFWFLSA-N 2 0 282.472 2.759 20 0 CFADRP Clc1cc2cccnc2c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414827377 534632919 /nfs/dbraw/zinc/63/29/19/534632919.db2.gz KNCCYWQWEZUCAX-LBPRGKRZSA-N 2 0 289.810 2.977 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428053740 534637927 /nfs/dbraw/zinc/63/79/27/534637927.db2.gz MJJLZLXUJFKWPU-GOEBONIOSA-N 2 0 278.827 2.956 20 0 CFADRP COC1(C[NH2+]C[C@H](C)C[NH+]2CCCC2)CCCCC1 ZINC000319533242 522629535 /nfs/dbraw/zinc/62/95/35/522629535.db2.gz AQKGCRWZICPPEG-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000234698474 522668268 /nfs/dbraw/zinc/66/82/68/522668268.db2.gz JXRIKQMDHRFVQP-OCCSQVGLSA-N 2 0 276.380 2.837 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000300096293 522668697 /nfs/dbraw/zinc/66/86/97/522668697.db2.gz FNLRASGGQSNQBC-QKPAOTATSA-N 2 0 270.461 2.791 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000234785712 522669018 /nfs/dbraw/zinc/66/90/18/522669018.db2.gz ZLRFFGIDIDEDIF-KFWWJZLASA-N 2 0 256.434 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000234804315 522669201 /nfs/dbraw/zinc/66/92/01/522669201.db2.gz JXRIKQMDHRFVQP-JSGCOSHPSA-N 2 0 276.380 2.837 20 0 CFADRP C[N@H+](CCCCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712764 522740305 /nfs/dbraw/zinc/74/03/05/522740305.db2.gz QFMACDZCVORMNW-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000195138692 522745111 /nfs/dbraw/zinc/74/51/11/522745111.db2.gz WHDCQWGODSOBBY-AEFFLSMTSA-N 2 0 288.435 2.523 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000051694389 522808006 /nfs/dbraw/zinc/80/80/06/522808006.db2.gz ABPCFUYWNJFUPE-UYSNPLJNSA-N 2 0 274.408 2.932 20 0 CFADRP COCC1(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCC1 ZINC000361326692 522867049 /nfs/dbraw/zinc/86/70/49/522867049.db2.gz ZUMRAEBWRPSSON-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000420252437 534671414 /nfs/dbraw/zinc/67/14/14/534671414.db2.gz AXSATQJVIVXWJN-HUUCEWRRSA-N 2 0 281.403 2.897 20 0 CFADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1cccs1 ZINC000233899182 522943509 /nfs/dbraw/zinc/94/35/09/522943509.db2.gz XOGZLZJMBRPUOF-VXGBXAGGSA-N 2 0 256.415 2.543 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422951676 534681515 /nfs/dbraw/zinc/68/15/15/534681515.db2.gz ZRQLHSUDISPIOX-SJPCQFCGSA-N 2 0 288.435 2.945 20 0 CFADRP CC[C@H]1CCC[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000194536763 523115300 /nfs/dbraw/zinc/11/53/00/523115300.db2.gz WMNHENSEPWZSCX-XUWVNRHRSA-N 2 0 250.430 2.696 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422908199 534712623 /nfs/dbraw/zinc/71/26/23/534712623.db2.gz MDDIPYOHZCDULY-ZACQAIPSSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414992727 534724922 /nfs/dbraw/zinc/72/49/22/534724922.db2.gz BZRNULDFZLHSAF-HJWJTTGWSA-N 2 0 258.409 2.897 20 0 CFADRP C[NH+]1CCC(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000310748842 523765829 /nfs/dbraw/zinc/76/58/29/523765829.db2.gz UJKNXOQEGQLSLA-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000334782279 523792810 /nfs/dbraw/zinc/79/28/10/523792810.db2.gz QWAURICOHMOFFD-SJORKVTESA-N 2 0 280.456 2.753 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccs3)CC[C@H]21 ZINC000246454244 523856836 /nfs/dbraw/zinc/85/68/36/523856836.db2.gz NUZDQKAYYCTOLR-GXTWGEPZSA-N 2 0 250.411 2.664 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000364918733 523884746 /nfs/dbraw/zinc/88/47/46/523884746.db2.gz WENIFSIYEJGSDB-SQWLQELKSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1ccccc1 ZINC000363425667 523962774 /nfs/dbraw/zinc/96/27/74/523962774.db2.gz FOYLGSQGHZHFCH-IRXDYDNUSA-N 2 0 269.392 2.797 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151797645 524045712 /nfs/dbraw/zinc/04/57/12/524045712.db2.gz GZJLTLVUQFCDNW-HNNXBMFYSA-N 2 0 290.451 2.604 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC000361594942 524176189 /nfs/dbraw/zinc/17/61/89/524176189.db2.gz RBWMGLRWXABZCB-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP Cn1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000124905346 534768731 /nfs/dbraw/zinc/76/87/31/534768731.db2.gz BCAQJGDBRNNPRN-IBGZPJMESA-N 2 0 297.446 2.679 20 0 CFADRP Cc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000334883204 524269736 /nfs/dbraw/zinc/26/97/36/524269736.db2.gz QVVKEPJBAFJELG-SJPCQFCGSA-N 2 0 258.409 2.984 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000151513165 524283914 /nfs/dbraw/zinc/28/39/14/524283914.db2.gz XGKBWLCXMGSJFG-SJORKVTESA-N 2 0 296.499 2.981 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163841262 524293985 /nfs/dbraw/zinc/29/39/85/524293985.db2.gz UUEVPRIFFQASDL-JSGCOSHPSA-N 2 0 287.382 2.791 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000311132038 524310393 /nfs/dbraw/zinc/31/03/93/524310393.db2.gz WTECDBZIBPZVAQ-NXEZZACHSA-N 2 0 258.312 2.533 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c21 ZINC000422710839 534775782 /nfs/dbraw/zinc/77/57/82/534775782.db2.gz GERPULBEJVOHIG-DZGCQCFKSA-N 2 0 271.408 2.749 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])c21 ZINC000422717463 534777078 /nfs/dbraw/zinc/77/70/78/534777078.db2.gz OPCVPFIVASPNGF-ZFWWWQNUSA-N 2 0 271.408 2.736 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000334865703 524382316 /nfs/dbraw/zinc/38/23/16/524382316.db2.gz LMEBOOHSCOQIKU-MSOLQXFVSA-N 2 0 288.435 2.632 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000334866345 524390819 /nfs/dbraw/zinc/39/08/19/524390819.db2.gz VFUAACUFRSWNGT-ZWKOTPCHSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000335240484 524391188 /nfs/dbraw/zinc/39/11/88/524391188.db2.gz OZYXBRGKVFLFOP-QZTJIDSGSA-N 2 0 288.435 2.713 20 0 CFADRP COc1ccccc1CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000182502439 524400537 /nfs/dbraw/zinc/40/05/37/524400537.db2.gz ZUUGWMUAHJTCAY-INIZCTEOSA-N 2 0 290.451 2.901 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH2+]Cc3ncc[nH]3)CC2)cc1 ZINC000066594206 524438356 /nfs/dbraw/zinc/43/83/56/524438356.db2.gz WQQHBRBECSQHCD-UHFFFAOYSA-N 2 0 298.434 2.720 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000334997055 524440412 /nfs/dbraw/zinc/44/04/12/524440412.db2.gz QZZQITNFLNJLHQ-MRXNPFEDSA-N 2 0 273.424 2.520 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000334997054 524441398 /nfs/dbraw/zinc/44/13/98/524441398.db2.gz QZZQITNFLNJLHQ-INIZCTEOSA-N 2 0 273.424 2.520 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000313990165 524444597 /nfs/dbraw/zinc/44/45/97/524444597.db2.gz KIVFHZXQVVTPRO-JQHSSLGASA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000159002320 524548794 /nfs/dbraw/zinc/54/87/94/524548794.db2.gz ZGUKGMMGETUIGS-AWEZNQCLSA-N 2 0 278.444 2.514 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000158779178 524559215 /nfs/dbraw/zinc/55/92/15/524559215.db2.gz LPJYEKKAPSGKGY-BBRMVZONSA-N 2 0 296.455 2.989 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000361878375 524561135 /nfs/dbraw/zinc/56/11/35/524561135.db2.gz ZGACOBCYMJCSJJ-XJKSGUPXSA-N 2 0 276.399 2.787 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000360861835 524563443 /nfs/dbraw/zinc/56/34/43/524563443.db2.gz TZTBTLMGLROBBP-SWLSCSKDSA-N 2 0 266.816 2.812 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414696912 534792245 /nfs/dbraw/zinc/79/22/45/534792245.db2.gz BRNYCRMTBRMKRS-ZYHUDNBSSA-N 2 0 267.442 2.664 20 0 CFADRP Cc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1F ZINC000227327260 524572154 /nfs/dbraw/zinc/57/21/54/524572154.db2.gz LUBJENUBLSYORM-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000078422712 524582895 /nfs/dbraw/zinc/58/28/95/524582895.db2.gz BRRAGLXMSMHPRE-UHFFFAOYSA-N 2 0 258.365 2.939 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Cl ZINC000334839913 524599300 /nfs/dbraw/zinc/59/93/00/524599300.db2.gz DSYVMSDJCOOYKE-BXUZGUMPSA-N 2 0 252.789 2.736 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000334856784 524694394 /nfs/dbraw/zinc/69/43/94/524694394.db2.gz KYTQOJMBKRZDGK-GUYCJALGSA-N 2 0 254.377 2.927 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc2cccnc12 ZINC000334839924 524715201 /nfs/dbraw/zinc/71/52/01/524715201.db2.gz UFQUSVQVCALSTK-HIFRSBDPSA-N 2 0 269.392 2.712 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000311046183 524783816 /nfs/dbraw/zinc/78/38/16/524783816.db2.gz PVYJJTATEWLMGJ-STQMWFEESA-N 2 0 250.386 2.863 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000334841301 524852957 /nfs/dbraw/zinc/85/29/57/524852957.db2.gz GNLMVNBSWYXABQ-CQSZACIVSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261919738 524863218 /nfs/dbraw/zinc/86/32/18/524863218.db2.gz KGHYTTREZYYPHT-DYEKYZERSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1ccccc1 ZINC000052092065 524910540 /nfs/dbraw/zinc/91/05/40/524910540.db2.gz WYMGIMKZXGOOTR-HLLBOEOZSA-N 2 0 276.424 2.774 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000305772784 524913402 /nfs/dbraw/zinc/91/34/02/524913402.db2.gz UVNYRRHLJZDOAY-MTSZKFMLSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000261936593 524994718 /nfs/dbraw/zinc/99/47/18/524994718.db2.gz ZOUGVMASZJMUCT-CQSZACIVSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000070984148 525021918 /nfs/dbraw/zinc/02/19/18/525021918.db2.gz XDYDQHPANOUOCI-KGLIPLIRSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309673881 525175736 /nfs/dbraw/zinc/17/57/36/525175736.db2.gz VBKJSGBTCWGGSI-OIISXLGYSA-N 2 0 290.476 2.850 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000334853031 525263586 /nfs/dbraw/zinc/26/35/86/525263586.db2.gz IZOCSLNMKIGUOD-TZMCWYRMSA-N 2 0 277.437 2.534 20 0 CFADRP Cc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158879499 525300485 /nfs/dbraw/zinc/30/04/85/525300485.db2.gz UIOVCFPOCCHTFD-IAGOWNOFSA-N 2 0 288.435 2.790 20 0 CFADRP CSC1(C[NH2+]Cc2ccsc2C)CC[NH+](C)CC1 ZINC000339402912 525334148 /nfs/dbraw/zinc/33/41/48/525334148.db2.gz MWTGNUAJZCAMAU-UHFFFAOYSA-N 2 0 284.494 2.974 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000235146321 525335713 /nfs/dbraw/zinc/33/57/13/525335713.db2.gz LCXGLRXCZBKQAB-MELADBBJSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195133852 525391791 /nfs/dbraw/zinc/39/17/91/525391791.db2.gz CZIMCVOFHHFOEZ-RDJZCZTQSA-N 2 0 298.434 2.593 20 0 CFADRP CSCCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229211542 525439805 /nfs/dbraw/zinc/43/98/05/525439805.db2.gz MASZSRHSBXKGKK-KGLIPLIRSA-N 2 0 250.411 2.864 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000051016709 525443464 /nfs/dbraw/zinc/44/34/64/525443464.db2.gz YLJDJBONJQNGRR-NSHDSACASA-N 2 0 268.351 2.785 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(O)c1 ZINC000062077503 525490250 /nfs/dbraw/zinc/49/02/50/525490250.db2.gz WWVGFAFGRLEWLJ-UONOGXRCSA-N 2 0 262.397 2.775 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)ccc2[nH]1 ZINC000335011407 525640630 /nfs/dbraw/zinc/64/06/30/525640630.db2.gz RTYXURFWXZWNJP-BLLLJJGKSA-N 2 0 271.408 2.954 20 0 CFADRP C[C@@]1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000340714329 525829574 /nfs/dbraw/zinc/82/95/74/525829574.db2.gz VVNUJFOGBWZPEH-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000262086765 525830084 /nfs/dbraw/zinc/83/00/84/525830084.db2.gz ULIXZFWFIBEWKT-WMLDXEAASA-N 2 0 288.391 2.552 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000228744302 526102374 /nfs/dbraw/zinc/10/23/74/526102374.db2.gz BIFOLELTKWQRMV-UHFFFAOYSA-N 2 0 268.788 2.708 20 0 CFADRP Fc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867967 526385661 /nfs/dbraw/zinc/38/56/61/526385661.db2.gz HCADCONYYWRXRV-HOCLYGCPSA-N 2 0 262.372 2.790 20 0 CFADRP c1[nH]c2ncccc2c1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178979187 526394552 /nfs/dbraw/zinc/39/45/52/526394552.db2.gz BBCWDFBZUQIPHZ-UHFFFAOYSA-N 2 0 298.434 2.742 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000334869644 526422786 /nfs/dbraw/zinc/42/27/86/526422786.db2.gz RESAULFVKSKHEH-KGLIPLIRSA-N 2 0 250.411 2.712 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cs1 ZINC000336056518 526438797 /nfs/dbraw/zinc/43/87/97/526438797.db2.gz RGEMPLAUPFJTSC-GXTWGEPZSA-N 2 0 250.411 2.885 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000340696039 526484693 /nfs/dbraw/zinc/48/46/93/526484693.db2.gz GZUGLDGVAWNXKB-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP c1ccc2c(c1)CCO[C@@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157924065 526504284 /nfs/dbraw/zinc/50/42/84/526504284.db2.gz VDJWAAGSQFFHKO-JFIYKMOQSA-N 2 0 286.419 2.517 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159044409 526511192 /nfs/dbraw/zinc/51/11/92/526511192.db2.gz MCUHYWOXFIVFOE-CABCVRRESA-N 2 0 286.419 2.627 20 0 CFADRP c1csc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867998 526581265 /nfs/dbraw/zinc/58/12/65/526581265.db2.gz HNRUZLZEYQBCSW-JSGCOSHPSA-N 2 0 250.411 2.712 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2)C1 ZINC000269136342 536473054 /nfs/dbraw/zinc/47/30/54/536473054.db2.gz RPYSPRDRIRUPMI-GOEBONIOSA-N 2 0 262.372 2.742 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2F)C1 ZINC000269124777 536475101 /nfs/dbraw/zinc/47/51/01/536475101.db2.gz CARSKXOEDFLJPF-GDBMZVCRSA-N 2 0 262.372 2.742 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423173031 526812144 /nfs/dbraw/zinc/81/21/44/526812144.db2.gz WRJWXIKINSQJMC-CZUORRHYSA-N 2 0 275.440 2.986 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423173032 526812674 /nfs/dbraw/zinc/81/26/74/526812674.db2.gz WRJWXIKINSQJMC-XJKSGUPXSA-N 2 0 275.440 2.986 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423165630 526814503 /nfs/dbraw/zinc/81/45/03/526814503.db2.gz BIDADVCIIZNGNY-DOMZBBRYSA-N 2 0 261.413 2.596 20 0 CFADRP Clc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000334880934 526976565 /nfs/dbraw/zinc/97/65/65/526976565.db2.gz JEOQEICLIFQZPP-PBWFPOADSA-N 2 0 250.773 2.713 20 0 CFADRP Clc1cccc2c1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000334787637 526984563 /nfs/dbraw/zinc/98/45/63/526984563.db2.gz XGDLYLZOIXYOCO-GFCCVEGCSA-N 2 0 264.800 2.698 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000423317513 527084158 /nfs/dbraw/zinc/08/41/58/527084158.db2.gz BPZPTJCPTUZBEJ-GUYCJALGSA-N 2 0 289.423 2.685 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc2s1 ZINC000261776041 527138414 /nfs/dbraw/zinc/13/84/14/527138414.db2.gz FCMGUDOHXLCJGC-ZDUSSCGKSA-N 2 0 275.421 2.775 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000051692996 527141247 /nfs/dbraw/zinc/14/12/47/527141247.db2.gz HLTUTIFSBSQSQK-UHFFFAOYSA-N 2 0 270.323 2.648 20 0 CFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000414831904 527169705 /nfs/dbraw/zinc/16/97/05/527169705.db2.gz QIBMPTJPEHSWJC-XYPWUTKMSA-N 2 0 258.409 2.837 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000423166233 527175966 /nfs/dbraw/zinc/17/59/66/527175966.db2.gz QZXHHJKOAVMFLW-ARFHVFGLSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422909993 527176464 /nfs/dbraw/zinc/17/64/64/527176464.db2.gz HDFMGRLYTFNKLG-JKSUJKDBSA-N 2 0 260.425 2.972 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000423166234 527177194 /nfs/dbraw/zinc/17/71/94/527177194.db2.gz QZXHHJKOAVMFLW-BZUAXINKSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422716565 527180463 /nfs/dbraw/zinc/18/04/63/527180463.db2.gz UJTUFYDJCIEHPI-DOMZBBRYSA-N 2 0 264.388 2.820 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000070074100 527191264 /nfs/dbraw/zinc/19/12/64/527191264.db2.gz WJCJLZQGEVNDMJ-HNNXBMFYSA-N 2 0 262.397 2.516 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159302760 527210499 /nfs/dbraw/zinc/21/04/99/527210499.db2.gz XLGJBCOHFHWGHY-GOEBONIOSA-N 2 0 269.392 2.842 20 0 CFADRP CC(C)([NH3+])CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414800302 527255338 /nfs/dbraw/zinc/25/53/38/527255338.db2.gz HLSOIVDILFGJMU-UHFFFAOYSA-N 2 0 295.858 2.631 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423282598 527256112 /nfs/dbraw/zinc/25/61/12/527256112.db2.gz CVHHPKNWHQLTHZ-LSDHHAIUSA-N 2 0 296.842 2.757 20 0 CFADRP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000339280180 527273030 /nfs/dbraw/zinc/27/30/30/527273030.db2.gz GNVPTALWOHIJHJ-UHFFFAOYSA-N 2 0 298.434 2.915 20 0 CFADRP C(CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000420370663 527476868 /nfs/dbraw/zinc/47/68/68/527476868.db2.gz YVVUDPBIDJYATO-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414813490 527483884 /nfs/dbraw/zinc/48/38/84/527483884.db2.gz QXCXVYYYYJUMKT-KURKYZTESA-N 2 0 293.499 2.809 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000423268914 527484852 /nfs/dbraw/zinc/48/48/52/527484852.db2.gz FFFHERMHMFVYED-SJORKVTESA-N 2 0 279.472 2.515 20 0 CFADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000423210558 527488423 /nfs/dbraw/zinc/48/84/23/527488423.db2.gz JWIJPLGPPWBCAS-HPUBIQBYSA-N 2 0 280.456 2.846 20 0 CFADRP OCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305335082 527545174 /nfs/dbraw/zinc/54/51/74/527545174.db2.gz NUEHKSMMOHGLLD-KSZLIROESA-N 2 0 288.435 2.717 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000423068680 527589338 /nfs/dbraw/zinc/58/93/38/527589338.db2.gz KMYPXDXGJRGASE-IXDOHACOSA-N 2 0 282.472 2.661 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000422721137 527832317 /nfs/dbraw/zinc/83/23/17/527832317.db2.gz URHPKMJOORWIRG-NXSPZCGBSA-N 2 0 268.445 2.545 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422716534 527832461 /nfs/dbraw/zinc/83/24/61/527832461.db2.gz NJENXSZONOGUIA-NHHFINERSA-N 2 0 294.483 2.950 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c[nH]nc3c2)[C@H](C)C1 ZINC000130479962 527836039 /nfs/dbraw/zinc/83/60/39/527836039.db2.gz JFUPMHCEQKBAOL-DYVFJYSZSA-N 2 0 286.423 2.725 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422738924 527846777 /nfs/dbraw/zinc/84/67/77/527846777.db2.gz KLIHLSMYKRIQBF-QZTJIDSGSA-N 3 0 289.467 2.745 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnccc2N)c1 ZINC000422740537 527846979 /nfs/dbraw/zinc/84/69/79/527846979.db2.gz MXBZWESPUVWWSJ-CQSZACIVSA-N 2 0 298.434 2.797 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@H]1Oc1ccccc1 ZINC000423247095 527868941 /nfs/dbraw/zinc/86/89/41/527868941.db2.gz KRTDUBYTBRCWGU-USXIJHARSA-N 2 0 288.435 2.822 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@H]1OCc1ccccc1 ZINC000423311019 527871568 /nfs/dbraw/zinc/87/15/68/527871568.db2.gz BDEUGFQWSCIATK-GVDBMIGSSA-N 2 0 288.435 2.697 20 0 CFADRP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CCCC[NH3+] ZINC000423343139 527894260 /nfs/dbraw/zinc/89/42/60/527894260.db2.gz ZFZUBUKWXBTDES-JKSUJKDBSA-N 2 0 276.424 2.699 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH2+]C)C12CCCCC2 ZINC000423276729 527939846 /nfs/dbraw/zinc/93/98/46/527939846.db2.gz OXIBXDMOTVRIOF-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000423249608 527940153 /nfs/dbraw/zinc/94/01/53/527940153.db2.gz OZSWUGBCHSINJQ-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1(CC)CC ZINC000422833434 527949662 /nfs/dbraw/zinc/94/96/62/527949662.db2.gz GWCTYONSEQZXFV-LJISPDSOSA-N 2 0 268.445 2.687 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C12CCCCC2 ZINC000423392171 527949812 /nfs/dbraw/zinc/94/98/12/527949812.db2.gz LGJUCTWHUVOJPH-XUWVNRHRSA-N 2 0 280.456 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C12CCCC2 ZINC000422813514 527949837 /nfs/dbraw/zinc/94/98/37/527949837.db2.gz ZKHUPVXQHFFWOP-XUWVNRHRSA-N 2 0 280.456 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C12CCCCC2 ZINC000422918196 527951792 /nfs/dbraw/zinc/95/17/92/527951792.db2.gz GXCMCGXJLFGCRA-LJISPDSOSA-N 2 0 268.445 2.830 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCCCC2 ZINC000422922468 527952420 /nfs/dbraw/zinc/95/24/20/527952420.db2.gz SVWHQZXYYJXWMH-HRCADAONSA-N 2 0 280.456 2.846 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422874278 527961047 /nfs/dbraw/zinc/96/10/47/527961047.db2.gz COXAENFVAVOCNH-ZDUSSCGKSA-N 2 0 277.412 2.642 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000423382127 527974366 /nfs/dbraw/zinc/97/43/66/527974366.db2.gz DGDPHAUYMQWVPF-ZOCIIQOWSA-N 2 0 297.446 2.769 20 0 CFADRP CC[N@H+]1C[C@H](NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000423246739 527990300 /nfs/dbraw/zinc/99/03/00/527990300.db2.gz PWRLQSDXGKGBCW-WBAXXEDZSA-N 2 0 289.467 2.740 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423125608 527990427 /nfs/dbraw/zinc/99/04/27/527990427.db2.gz AKJRFELAMASNSA-XYPHTWIQSA-N 2 0 275.440 2.841 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423125603 528000266 /nfs/dbraw/zinc/00/02/66/528000266.db2.gz AKJRFELAMASNSA-JQFCIGGWSA-N 2 0 275.440 2.841 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423106317 528062331 /nfs/dbraw/zinc/06/23/31/528062331.db2.gz RHLVKAYJDLYDCU-CRYBEJKASA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)c1ccc(CCC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422771696 528085706 /nfs/dbraw/zinc/08/57/06/528085706.db2.gz YGHXQPYZHCEJSK-AWEZNQCLSA-N 2 0 260.425 2.940 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423161009 528087808 /nfs/dbraw/zinc/08/78/08/528087808.db2.gz IIBLYAYNJPYNHK-KOZAUXTDSA-N 2 0 260.381 2.677 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414054581 528116145 /nfs/dbraw/zinc/11/61/45/528116145.db2.gz NKZYOPPXHRZNRX-HUUCEWRRSA-N 2 0 292.471 2.990 20 0 CFADRP CC[NH+](CC)CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424132996 528127948 /nfs/dbraw/zinc/12/79/48/528127948.db2.gz IRMIABUFBCOAAZ-MRXNPFEDSA-N 2 0 297.487 2.522 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1(C)C ZINC000423500677 528131688 /nfs/dbraw/zinc/13/16/88/528131688.db2.gz IOQMKNWITNQZPS-LJISPDSOSA-N 2 0 268.445 2.543 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423335979 528132629 /nfs/dbraw/zinc/13/26/29/528132629.db2.gz SIJPGWBIYCIYID-LSDHHAIUSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415028988 528162247 /nfs/dbraw/zinc/16/22/47/528162247.db2.gz ZQYLVMDLXKKTIT-ZDUSSCGKSA-N 2 0 250.386 2.691 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422837987 528171591 /nfs/dbraw/zinc/17/15/91/528171591.db2.gz NJTGTXKFCLBVRC-NXOAAHMSSA-N 2 0 281.488 2.617 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@H](C)CC[NH3+] ZINC000414900221 528179977 /nfs/dbraw/zinc/17/99/77/528179977.db2.gz VTXWQSXDZGPMMB-SNVBAGLBSA-N 2 0 256.777 2.566 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422737111 528188276 /nfs/dbraw/zinc/18/82/76/528188276.db2.gz HMUFOYHHRONIFK-QZTJIDSGSA-N 3 0 287.451 2.843 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422780371 528199744 /nfs/dbraw/zinc/19/97/44/528199744.db2.gz DBXPUMQFIMEPJY-CABCVRRESA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414904699 528224878 /nfs/dbraw/zinc/22/48/78/528224878.db2.gz NUQXNESWAQJPRP-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414800692 528227090 /nfs/dbraw/zinc/22/70/90/528227090.db2.gz SRBYGSASYGGGDR-ZBFHGGJFSA-N 2 0 262.397 2.691 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422727433 528247370 /nfs/dbraw/zinc/24/73/70/528247370.db2.gz CIYJLWVSXYJQCG-NXHRZFHOSA-N 2 0 289.467 2.800 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423080782 528267771 /nfs/dbraw/zinc/26/77/71/528267771.db2.gz AMHPLGASNQIMBW-LTIDMASMSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000422900857 528273938 /nfs/dbraw/zinc/27/39/38/528273938.db2.gz KCNMJYQHXRSFOQ-YPMHNXCESA-N 2 0 267.442 2.526 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])CC(C)C ZINC000422824874 528280821 /nfs/dbraw/zinc/28/08/21/528280821.db2.gz IFIBDVHNPUUMJO-GVDBMIGSSA-N 2 0 283.504 2.993 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H](C)CCC[NH3+])c1ccsc1 ZINC000422867618 528281005 /nfs/dbraw/zinc/28/10/05/528281005.db2.gz SOJSKMDDYHGVEM-UKRRQHHQSA-N 2 0 283.485 2.848 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000422862770 528281847 /nfs/dbraw/zinc/28/18/47/528281847.db2.gz OCQUNKSCOHYDKX-CWRNSKLLSA-N 2 0 295.496 2.719 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)c1c[nH+]ccc1N)CC(C)C ZINC000422826739 528281869 /nfs/dbraw/zinc/28/18/69/528281869.db2.gz MAGHBDXRLPGGAC-CABCVRRESA-N 2 0 292.471 2.901 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000430594338 528290968 /nfs/dbraw/zinc/29/09/68/528290968.db2.gz VKAIZKMFBUVKOY-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP CC[NH2+]CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414838668 528329727 /nfs/dbraw/zinc/32/97/27/528329727.db2.gz ZEUDHLMYBYZSJH-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](OC)C2CC2)CC1 ZINC000425403271 528339300 /nfs/dbraw/zinc/33/93/00/528339300.db2.gz IJBSCOCUMBFSHY-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)C[C@@H]([NH3+])CNC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414827996 528346888 /nfs/dbraw/zinc/34/68/88/528346888.db2.gz IDUDASQVBUAIDZ-SJORKVTESA-N 2 0 277.456 2.773 20 0 CFADRP CCOc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000422764075 528424493 /nfs/dbraw/zinc/42/44/93/528424493.db2.gz PJWGICJQZZIQCI-ZIAGYGMSSA-N 2 0 294.439 2.742 20 0 CFADRP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000414772942 528436657 /nfs/dbraw/zinc/43/66/57/528436657.db2.gz VXANAASDYYPPHR-GASCZTMLSA-N 2 0 292.398 2.656 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414857643 528464747 /nfs/dbraw/zinc/46/47/47/528464747.db2.gz PWKJBZQAJLGRLB-HIFRSBDPSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414796548 528466163 /nfs/dbraw/zinc/46/61/63/528466163.db2.gz HTCXHUNTTADDTR-ZBFHGGJFSA-N 2 0 262.397 2.692 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422744087 528469300 /nfs/dbraw/zinc/46/93/00/528469300.db2.gz SFQQIRXAYGPRMY-IXDOHACOSA-N 2 0 281.488 2.891 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCCC[NH3+] ZINC000423319980 528488119 /nfs/dbraw/zinc/48/81/19/528488119.db2.gz FXAHEOKFRNASPI-MRXNPFEDSA-N 2 0 264.413 2.556 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422810027 528498417 /nfs/dbraw/zinc/49/84/17/528498417.db2.gz QUQBFWZDDTVGNA-RRQGHBQHSA-N 2 0 276.424 2.766 20 0 CFADRP CCN(CC[NH2+][C@@H](C)CCC[NH3+])c1cccc(C)c1 ZINC000422775058 528513334 /nfs/dbraw/zinc/51/33/34/528513334.db2.gz ZRRONFHFTDXMDO-HNNXBMFYSA-N 2 0 263.429 2.538 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414853440 528518383 /nfs/dbraw/zinc/51/83/83/528518383.db2.gz SNCDWKLFHXXBKT-NXHRZFHOSA-N 2 0 295.515 2.993 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423127050 528568330 /nfs/dbraw/zinc/56/83/30/528568330.db2.gz SRGVYJRBRNOQDH-GDBMZVCRSA-N 2 0 278.440 2.597 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000423537209 528578826 /nfs/dbraw/zinc/57/88/26/528578826.db2.gz CCZZHVAPRYELNA-DSJMHWKBSA-N 2 0 276.428 2.503 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420300114 528585572 /nfs/dbraw/zinc/58/55/72/528585572.db2.gz HFBQURANSMLBCE-AWEZNQCLSA-N 2 0 290.407 2.627 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1OCC ZINC000422767695 528596080 /nfs/dbraw/zinc/59/60/80/528596080.db2.gz YTNRIANICNNUQA-OLZOCXBDSA-N 2 0 292.423 2.743 20 0 CFADRP CCOC(=O)C1([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000414697239 528602021 /nfs/dbraw/zinc/60/20/21/528602021.db2.gz BUNRFWXPHFWBOV-GJZGRUSLSA-N 2 0 296.455 2.572 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)CC[NH2+]CC1 ZINC000423164104 528609283 /nfs/dbraw/zinc/60/92/83/528609283.db2.gz NVUKTTZZWIYTIP-UONOGXRCSA-N 2 0 298.471 2.722 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C[C@H](C)CC)CC[NH2+]CC1 ZINC000422919185 528613238 /nfs/dbraw/zinc/61/32/38/528613238.db2.gz JSYZSBYWVLWLLC-ILXRZTDVSA-N 2 0 298.471 2.722 20 0 CFADRP CCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422859443 528619057 /nfs/dbraw/zinc/61/90/57/528619057.db2.gz KEHDBOGBJVXNFC-UONOGXRCSA-N 2 0 264.413 2.999 20 0 CFADRP CCCOc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC ZINC000414825896 528624301 /nfs/dbraw/zinc/62/43/01/528624301.db2.gz DGOVYRPOYKHXQD-CQSZACIVSA-N 2 0 292.423 2.573 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCC1 ZINC000422940839 528636103 /nfs/dbraw/zinc/63/61/03/528636103.db2.gz NKEGGIACWHIZJJ-LSDHHAIUSA-N 2 0 268.445 2.561 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000422817554 528642459 /nfs/dbraw/zinc/64/24/59/528642459.db2.gz HUDRHDJIKNDTEM-XUWVNRHRSA-N 2 0 282.472 2.948 20 0 CFADRP CCOc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414849774 528653978 /nfs/dbraw/zinc/65/39/78/528653978.db2.gz LXCNMQNJIVXHDG-AWEZNQCLSA-N 2 0 262.397 2.565 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415053294 528689264 /nfs/dbraw/zinc/68/92/64/528689264.db2.gz DNCWAEQDSLCYIS-CYBMUJFWSA-N 2 0 250.386 2.692 20 0 CFADRP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422699806 528721349 /nfs/dbraw/zinc/72/13/49/528721349.db2.gz BCWZONANNCYVJO-CQSZACIVSA-N 2 0 297.487 2.521 20 0 CFADRP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415005546 528730561 /nfs/dbraw/zinc/73/05/61/528730561.db2.gz ZLDBKGZDKAVNML-HIFRSBDPSA-N 2 0 262.397 2.692 20 0 CFADRP CCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414826373 528756387 /nfs/dbraw/zinc/75/63/87/528756387.db2.gz IQIPZHAXGMBNPH-XYPWUTKMSA-N 2 0 274.408 2.848 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414860266 528785928 /nfs/dbraw/zinc/78/59/28/528785928.db2.gz PBBYAIUCGGHTHW-CABCVRRESA-N 2 0 268.445 2.831 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423146548 528795697 /nfs/dbraw/zinc/79/56/97/528795697.db2.gz AWGNMTXHDVKYST-ZVDSWSACSA-N 2 0 250.430 2.789 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414680358 528800893 /nfs/dbraw/zinc/80/08/93/528800893.db2.gz MYTHLZPAEAVKQF-DZGCQCFKSA-N 2 0 290.407 2.625 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+][C@H](C)CCCC[NH3+])cn1 ZINC000415011452 528842766 /nfs/dbraw/zinc/84/27/66/528842766.db2.gz HUJZZRKGNLFNSB-CQSZACIVSA-N 2 0 278.444 2.533 20 0 CFADRP CCC(CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814890 528855744 /nfs/dbraw/zinc/85/57/44/528855744.db2.gz AKABWNIUGKSYGR-UAGQMJEPSA-N 2 0 281.488 2.617 20 0 CFADRP CCCn1nc(C)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1C ZINC000414979514 528877615 /nfs/dbraw/zinc/87/76/15/528877615.db2.gz VIIOCWJLMROGPT-OAHLLOKOSA-N 2 0 278.444 2.532 20 0 CFADRP CC(C)[NH+](CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000422768651 528906672 /nfs/dbraw/zinc/90/66/72/528906672.db2.gz ZLISRRXLOAZMHE-SJLPKXTDSA-N 2 0 291.483 2.653 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423209151 528927923 /nfs/dbraw/zinc/92/79/23/528927923.db2.gz ZSIPJZJFVMNHNE-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000423292164 528951110 /nfs/dbraw/zinc/95/11/10/528951110.db2.gz LTAPAHSLAJALSI-HUUCEWRRSA-N 2 0 298.471 2.996 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000423286949 528953148 /nfs/dbraw/zinc/95/31/48/528953148.db2.gz JOJXEYHRRFKSAT-UKRRQHHQSA-N 2 0 264.413 2.870 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000423287880 528955794 /nfs/dbraw/zinc/95/57/94/528955794.db2.gz PABLKBTVSZAJAY-QWHCGFSZSA-N 2 0 256.434 2.687 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000427848767 528979259 /nfs/dbraw/zinc/97/92/59/528979259.db2.gz MGZNLQQXZQXACN-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000417304343 529007594 /nfs/dbraw/zinc/00/75/94/529007594.db2.gz FGJTXIOFZPUZQW-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422965835 529013524 /nfs/dbraw/zinc/01/35/24/529013524.db2.gz PVPAXHMFODCCNT-KSZLIROESA-N 2 0 295.515 2.994 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCCC1 ZINC000422963290 529017854 /nfs/dbraw/zinc/01/78/54/529017854.db2.gz IDGPTRSRGNJLOB-SQNIBIBYSA-N 2 0 295.515 2.865 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422835619 529043529 /nfs/dbraw/zinc/04/35/29/529043529.db2.gz PRNUMSHMSXJJGY-IRXDYDNUSA-N 2 0 276.424 2.973 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1OC ZINC000423428447 529108823 /nfs/dbraw/zinc/10/88/23/529108823.db2.gz RFJHZYDCYVLRFY-FPCVCCKLSA-N 2 0 282.472 2.935 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H](C)[C@@H]1OC ZINC000425953257 529109195 /nfs/dbraw/zinc/10/91/95/529109195.db2.gz RTGJSXBTZZWMML-YJNKXOJESA-N 2 0 270.461 2.613 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(C)ccc1OC ZINC000423226558 529168002 /nfs/dbraw/zinc/16/80/02/529168002.db2.gz RECABAMBFVHOHM-GXTWGEPZSA-N 2 0 250.386 2.782 20 0 CFADRP CC[C@@H]([NH2+]CCc1cc(C)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422779257 529169177 /nfs/dbraw/zinc/16/91/77/529169177.db2.gz FPHXKBZLOYIFES-CVEARBPZSA-N 2 0 276.424 2.666 20 0 CFADRP CC[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423096262 529176063 /nfs/dbraw/zinc/17/60/63/529176063.db2.gz OLFUXFZPABTJGK-KSZLIROESA-N 2 0 293.499 2.904 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000422816964 529205077 /nfs/dbraw/zinc/20/50/77/529205077.db2.gz BUDDKWMFKFMHGI-QMTHXVAHSA-N 2 0 252.789 2.989 20 0 CFADRP CCSc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000423125858 529252727 /nfs/dbraw/zinc/25/27/27/529252727.db2.gz IFOYZAHLJJTBLY-DAXOMENPSA-N 2 0 294.464 2.641 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423131808 529257293 /nfs/dbraw/zinc/25/72/93/529257293.db2.gz OLLPPHFIZGZPMH-QUSNUVHPSA-N 2 0 280.456 2.702 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422906265 529297864 /nfs/dbraw/zinc/29/78/64/529297864.db2.gz JKROMCJNPGUENN-VPSFDDGASA-N 2 0 293.499 2.760 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422907535 529297897 /nfs/dbraw/zinc/29/78/97/529297897.db2.gz LNUFVWWVYHEPNM-BZUAXINKSA-N 2 0 281.488 2.604 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414858034 529318112 /nfs/dbraw/zinc/31/81/12/529318112.db2.gz HMZMZFWLYBICCF-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)(F)F ZINC000423189470 529361067 /nfs/dbraw/zinc/36/10/67/529361067.db2.gz REPDMUYBAVIVHY-WSMDXJOWSA-N 2 0 264.335 2.838 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1cccc(F)c1 ZINC000422845009 529368097 /nfs/dbraw/zinc/36/80/97/529368097.db2.gz AQFZFJVUMHPQJF-GXTWGEPZSA-N 2 0 268.376 2.700 20 0 CFADRP CC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000422965621 529368856 /nfs/dbraw/zinc/36/88/56/529368856.db2.gz OZDIACNPFFFHPE-ZJPYXAASSA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422919301 529368995 /nfs/dbraw/zinc/36/89/95/529368995.db2.gz JMWVMWNYEVPZGU-ZMSDIMECSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Oc1ccccc1F ZINC000422821557 529370194 /nfs/dbraw/zinc/37/01/94/529370194.db2.gz WZVNAMAXVCLOBP-YNEHKIRRSA-N 2 0 268.376 2.699 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCOCC2CCC2)CC1 ZINC000445429833 535152927 /nfs/dbraw/zinc/15/29/27/535152927.db2.gz GHLGUCIQBLOUAW-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccsc2C)CC1 ZINC000449747394 535673818 /nfs/dbraw/zinc/67/38/18/535673818.db2.gz WOSJDTXBZVLCRE-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459373888 535694273 /nfs/dbraw/zinc/69/42/73/535694273.db2.gz KQXSBMCDWPPPRS-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268984171 535977965 /nfs/dbraw/zinc/97/79/65/535977965.db2.gz DSWOUMYISMRISD-BPQIPLTHSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC000459734152 536383997 /nfs/dbraw/zinc/38/39/97/536383997.db2.gz OFNKOOLAMQPITC-CYBMUJFWSA-N 2 0 250.361 2.647 20 0 CFADRP COc1cc(C)ccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459789214 536651679 /nfs/dbraw/zinc/65/16/79/536651679.db2.gz QLFMJYPYEGZRBX-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453056820 536894543 /nfs/dbraw/zinc/89/45/43/536894543.db2.gz LPNDCYPJTMECSA-KZNAEPCWSA-N 2 0 288.435 2.666 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000540155644 545520399 /nfs/dbraw/zinc/52/03/99/545520399.db2.gz AHDYMZJLHZCACS-GRDNDAEWSA-N 2 0 276.424 2.822 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000568162088 545568738 /nfs/dbraw/zinc/56/87/38/545568738.db2.gz NYQMIESSDCOONC-QWHCGFSZSA-N 2 0 280.437 2.599 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000666855273 545558986 /nfs/dbraw/zinc/55/89/86/545558986.db2.gz IJHGNVJTVQKMFI-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000666082851 545578272 /nfs/dbraw/zinc/57/82/72/545578272.db2.gz JINATONPUGBYBM-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754786322 574131435 /nfs/dbraw/zinc/13/14/35/574131435.db2.gz QEJQSVKVZIBZQP-CABCVRRESA-N 2 0 292.398 2.811 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCc2cccs2)CC1 ZINC000729266301 574195514 /nfs/dbraw/zinc/19/55/14/574195514.db2.gz WEHGDXKBHFXVLI-UHFFFAOYSA-N 2 0 252.427 2.564 20 0 CFADRP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000756107246 574209517 /nfs/dbraw/zinc/20/95/17/574209517.db2.gz PONKWSWIHHDOOG-YJBOKZPZSA-N 2 0 293.499 2.571 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1OC ZINC000729682389 574227663 /nfs/dbraw/zinc/22/76/63/574227663.db2.gz PTZSXSWOVKDMFC-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000730080857 574253752 /nfs/dbraw/zinc/25/37/52/574253752.db2.gz LNUFJOCOADAGGI-UHFFFAOYSA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)(C)C(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000753747832 574409685 /nfs/dbraw/zinc/40/96/85/574409685.db2.gz SRQWGMKTZLBACJ-GOEBONIOSA-N 2 0 292.467 2.940 20 0 CFADRP C[NH+](C)CCc1ccccc1NC(=O)CC[NH2+]C(C)(C)C ZINC000935554668 649916890 /nfs/dbraw/zinc/91/68/90/649916890.db2.gz XAGOFQBDNCMNMM-UHFFFAOYSA-N 2 0 291.439 2.507 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNc2cc(N(C)C)ncn2)c1 ZINC000891964249 617882802 /nfs/dbraw/zinc/88/28/02/617882802.db2.gz CGDFRKZKBYLKOQ-UHFFFAOYSA-N 2 0 299.422 2.606 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000051694360 618049179 /nfs/dbraw/zinc/04/91/79/618049179.db2.gz YXRNITSWGUCRFX-VCANKDNSSA-N 2 0 260.381 2.542 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000051694167 618049314 /nfs/dbraw/zinc/04/93/14/618049314.db2.gz QUGDCGQNPBWVKJ-UHFFFAOYSA-N 2 0 288.420 2.565 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000219321931 617612703 /nfs/dbraw/zinc/61/27/03/617612703.db2.gz AFKPPCJLQPKILO-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000891480818 617630646 /nfs/dbraw/zinc/63/06/46/617630646.db2.gz VNGUYVWEKGQQCK-LBPRGKRZSA-N 2 0 264.335 2.603 20 0 CFADRP CC[NH+]1CCC(CCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000092278252 617631936 /nfs/dbraw/zinc/63/19/36/617631936.db2.gz ITTXFOXBKPIHSQ-UHFFFAOYSA-N 2 0 294.487 2.736 20 0 CFADRP Nc1cc(NCCC[NH+]2CCCCC2)c(Cl)c[nH+]1 ZINC000891594457 617679741 /nfs/dbraw/zinc/67/97/41/617679741.db2.gz ZBRKFEUCXWRAIH-UHFFFAOYSA-N 2 0 268.792 2.605 20 0 CFADRP CC(C)[C@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCCCC1 ZINC000066242739 617680578 /nfs/dbraw/zinc/68/05/78/617680578.db2.gz RLWGLZZDPODSGX-INIZCTEOSA-N 2 0 294.487 2.944 20 0 CFADRP COCCCC1(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CCC1 ZINC000891670170 617702292 /nfs/dbraw/zinc/70/22/92/617702292.db2.gz GVOJKHQKTQRQFR-MRXNPFEDSA-N 2 0 282.472 2.857 20 0 CFADRP COCCCC1(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CCC1 ZINC000891670169 617702349 /nfs/dbraw/zinc/70/23/49/617702349.db2.gz GVOJKHQKTQRQFR-INIZCTEOSA-N 2 0 282.472 2.857 20 0 CFADRP CC(C)CCOC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891724546 617730551 /nfs/dbraw/zinc/73/05/51/617730551.db2.gz FKNHSERQSREQBW-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733311 617762025 /nfs/dbraw/zinc/76/20/25/617762025.db2.gz IAKSWYMYNLALJM-XUWVNRHRSA-N 2 0 250.430 2.696 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926253690 617779302 /nfs/dbraw/zinc/77/93/02/617779302.db2.gz UOXZHWGNRRHUOL-BFHYXJOUSA-N 2 0 264.413 2.822 20 0 CFADRP CC1CCC(OC2CCN(CC(C)(C)[NH3+])CC2)CC1 ZINC000261973504 617791178 /nfs/dbraw/zinc/79/11/78/617791178.db2.gz QNHGUGQZWCHOBX-UHFFFAOYSA-N 2 0 268.445 2.783 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308156 617859395 /nfs/dbraw/zinc/85/93/95/617859395.db2.gz MTUPEPBVCZFXEQ-SJORKVTESA-N 2 0 280.456 2.512 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169609 617906968 /nfs/dbraw/zinc/90/69/68/617906968.db2.gz MOFICYVELKJGIQ-ZDUSSCGKSA-N 2 0 264.438 2.969 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892144660 617973254 /nfs/dbraw/zinc/97/32/54/617973254.db2.gz NWVYJUJZFYXABU-MRXNPFEDSA-N 2 0 292.471 2.854 20 0 CFADRP C[NH+]1CCC(C[N@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000892219760 618008906 /nfs/dbraw/zinc/00/89/06/618008906.db2.gz QSEQXOLQMQFTIL-UHFFFAOYSA-N 2 0 278.362 2.993 20 0 CFADRP CCOc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000892230796 618016749 /nfs/dbraw/zinc/01/67/49/618016749.db2.gz JMVKLJSLOOGZRH-ZFWWWQNUSA-N 2 0 278.396 2.594 20 0 CFADRP Cc1cc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)ccc1C(C)C ZINC000050248843 618102713 /nfs/dbraw/zinc/10/27/13/618102713.db2.gz BQXJJBHFCHOLLQ-OAHLLOKOSA-N 2 0 276.424 2.778 20 0 CFADRP FC(F)(F)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000051919381 618104817 /nfs/dbraw/zinc/10/48/17/618104817.db2.gz XBUIGZZJHPZXTI-NEPJUHHUSA-N 2 0 264.335 2.650 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@H]1CCC=CO1)C1CCCCC1 ZINC000050269367 618105494 /nfs/dbraw/zinc/10/54/94/618105494.db2.gz CHBHIAHWTHCMMY-MRXNPFEDSA-N 2 0 266.429 2.923 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000261606141 618112830 /nfs/dbraw/zinc/11/28/30/618112830.db2.gz RLPBSAHLHNFOBM-KCXAZCMYSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cccc(F)c2)CC[NH2+]1 ZINC000235379676 618112980 /nfs/dbraw/zinc/11/29/80/618112980.db2.gz ZUKSWYWWVWTZRD-OCCSQVGLSA-N 2 0 250.361 2.646 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C2CCOCC2)C1 ZINC000933078465 618149638 /nfs/dbraw/zinc/14/96/38/618149638.db2.gz MOTPVHSGQVLJTI-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1csc(C[C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000933129128 618161605 /nfs/dbraw/zinc/16/16/05/618161605.db2.gz JRWZHGZVLYZQDI-LSDHHAIUSA-N 2 0 293.480 2.800 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158784454 618175706 /nfs/dbraw/zinc/17/57/06/618175706.db2.gz PMPKBWBVOIXEEH-CQSZACIVSA-N 2 0 288.501 2.609 20 0 CFADRP CCOc1ccc(OCC[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091846306 618179026 /nfs/dbraw/zinc/17/90/26/618179026.db2.gz CAEREOXTOVKRLV-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP C[C@H](CC[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCCCC1 ZINC000161875305 618181573 /nfs/dbraw/zinc/18/15/73/618181573.db2.gz JSGQFBDKCTWTKD-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP COC1CC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926154471 618193398 /nfs/dbraw/zinc/19/33/98/618193398.db2.gz HDLWCFNEDTWUNY-JQRITLKVSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926551971 618197949 /nfs/dbraw/zinc/19/79/49/618197949.db2.gz XKMDBYYOOGSCOT-XOKHGSTOSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926553466 618199391 /nfs/dbraw/zinc/19/93/91/618199391.db2.gz SWVBEWCIEJYTDY-SUMWQHHRSA-N 2 0 276.424 2.560 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000926575129 618217409 /nfs/dbraw/zinc/21/74/09/618217409.db2.gz XSGYVSGBKRKXFS-WMLDXEAASA-N 2 0 280.456 2.513 20 0 CFADRP FC(F)(F)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925572283 618253282 /nfs/dbraw/zinc/25/32/82/618253282.db2.gz HYWBQXTULWNLML-NEPJUHHUSA-N 2 0 264.335 2.697 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000893958560 618253272 /nfs/dbraw/zinc/25/32/72/618253272.db2.gz CAJWPFRCYZMAFM-SFHVURJKSA-N 2 0 290.451 2.518 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cn1 ZINC000925572801 618253867 /nfs/dbraw/zinc/25/38/67/618253867.db2.gz JXIWASJLHXRTDU-QZTJIDSGSA-N 2 0 287.451 2.690 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925574818 618256733 /nfs/dbraw/zinc/25/67/33/618256733.db2.gz BUNQTIISZAZYOY-PMPSAXMXSA-N 2 0 280.456 2.702 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925576929 618259701 /nfs/dbraw/zinc/25/97/01/618259701.db2.gz ZEMYMZDRWWVCMP-QZTJIDSGSA-N 2 0 289.467 2.931 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925105124 618259819 /nfs/dbraw/zinc/25/98/19/618259819.db2.gz YYQJAXWPOAWTEY-AFAVFJNCSA-N 2 0 291.439 2.829 20 0 CFADRP Cc1ncoc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000894022448 618272504 /nfs/dbraw/zinc/27/25/04/618272504.db2.gz ZUZVTBHQEGANKH-KRWDZBQOSA-N 2 0 299.418 2.937 20 0 CFADRP CCN1C[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000925930461 618274322 /nfs/dbraw/zinc/27/43/22/618274322.db2.gz UKTVNPLJIBSQAA-DAYGRLMNSA-N 3 0 289.467 2.739 20 0 CFADRP CS[C@@H](C)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925601558 618288378 /nfs/dbraw/zinc/28/83/78/618288378.db2.gz MFQXZBBUWDRMRE-ZDUSSCGKSA-N 2 0 258.475 2.838 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262122231 618292788 /nfs/dbraw/zinc/29/27/88/618292788.db2.gz XJKRPRRGOPVKNF-UHFFFAOYSA-N 2 0 276.399 2.964 20 0 CFADRP CC[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+]1CCCC1 ZINC000925606298 618293086 /nfs/dbraw/zinc/29/30/86/618293086.db2.gz NAPJCOZRUNILHS-KURKYZTESA-N 2 0 293.499 2.619 20 0 CFADRP Cc1n[nH]c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000894058424 618296916 /nfs/dbraw/zinc/29/69/16/618296916.db2.gz UKHWNDGITDUWLH-UHFFFAOYSA-N 2 0 278.444 2.580 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Nc1ccccc1 ZINC000925607959 618298216 /nfs/dbraw/zinc/29/82/16/618298216.db2.gz DXDOHWIWRDJGDG-GVDBMIGSSA-N 2 0 287.451 2.983 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@H]2CCC=CO2)c2ccccn2)CC1 ZINC000895110332 618306260 /nfs/dbraw/zinc/30/62/60/618306260.db2.gz IRSQQEOKQUHODG-BZUAXINKSA-N 2 0 287.407 2.851 20 0 CFADRP CCOC[C@@H](C)N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110366 618307038 /nfs/dbraw/zinc/30/70/38/618307038.db2.gz JOSYFDOWHOKLAC-RBSFLKMASA-N 2 0 277.412 2.583 20 0 CFADRP C[C@H]1CSC[C@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113141 618313938 /nfs/dbraw/zinc/31/39/38/618313938.db2.gz UARCYEXATUTHKC-ZQDZILKHSA-N 2 0 291.464 2.909 20 0 CFADRP OCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515805 618314832 /nfs/dbraw/zinc/31/48/32/618314832.db2.gz XBDVCXLYBMUSOF-SJLPKXTDSA-N 2 0 294.483 2.878 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925614972 618317194 /nfs/dbraw/zinc/31/71/94/618317194.db2.gz DDQCUXOCGOOYLK-BRWVUGGUSA-N 2 0 295.515 2.850 20 0 CFADRP CCC1(O)CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925615183 618318624 /nfs/dbraw/zinc/31/86/24/618318624.db2.gz NCBOSIDUOQMNQI-UMQBVGHOSA-N 2 0 294.483 2.828 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccco1 ZINC000925616392 618320516 /nfs/dbraw/zinc/32/05/16/618320516.db2.gz LMEKELPCOHABEC-BMFZPTHFSA-N 2 0 291.439 2.522 20 0 CFADRP Nc1cc(NC2CC[NH+](C3CCC3)CC2)c(Cl)c[nH+]1 ZINC000894108181 618342507 /nfs/dbraw/zinc/34/25/07/618342507.db2.gz QVSWBAZHTMRPIK-UHFFFAOYSA-N 2 0 280.803 2.746 20 0 CFADRP FC(F)Oc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262139622 618342824 /nfs/dbraw/zinc/34/28/24/618342824.db2.gz ZADZACKMKQMMCP-UHFFFAOYSA-N 2 0 296.361 2.864 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H](CCCO)c1ccccc1)[NH2+]2 ZINC000925624068 618344791 /nfs/dbraw/zinc/34/47/91/618344791.db2.gz UWZREZJRBRATIV-QRIFCXAISA-N 2 0 288.435 2.619 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCCO)c2ccccc2)C1 ZINC000925624177 618346789 /nfs/dbraw/zinc/34/67/89/618346789.db2.gz WAVVUPOQIQASTI-BRWVUGGUSA-N 2 0 290.451 2.996 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925624687 618347289 /nfs/dbraw/zinc/34/72/89/618347289.db2.gz AJYDDVSFYIHGAI-CHWSQXEVSA-N 2 0 258.475 2.871 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2cccs2)C12CCC2 ZINC000925628578 618356145 /nfs/dbraw/zinc/35/61/45/618356145.db2.gz DNSJEXXARKDRCU-QWHCGFSZSA-N 2 0 250.411 2.540 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925631564 618359594 /nfs/dbraw/zinc/35/95/94/618359594.db2.gz IBBVZNYXRYHTNZ-IXDOHACOSA-N 2 0 280.456 2.704 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925631561 618359835 /nfs/dbraw/zinc/35/98/35/618359835.db2.gz IBBVZNYXRYHTNZ-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP C(COCC1CCC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925638208 618371522 /nfs/dbraw/zinc/37/15/22/618371522.db2.gz BOQGBOXZCBWHTC-DLBZAZTESA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000926672510 618392201 /nfs/dbraw/zinc/39/22/01/618392201.db2.gz NDRFBXYFJQSZPB-KRWDZBQOSA-N 2 0 295.515 2.959 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925646712 618393041 /nfs/dbraw/zinc/39/30/41/618393041.db2.gz VHQDJJUTILGVJA-KBPBESRZSA-N 2 0 280.387 2.830 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H](c2ccccc2)[C@@H](C)N)C1 ZINC000925649830 618400387 /nfs/dbraw/zinc/40/03/87/618400387.db2.gz PCNFMEXLGRGZMB-RKHAHWSXSA-N 2 0 276.424 2.870 20 0 CFADRP c1ccc(N2CCC[C@H](C[NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925655816 618411352 /nfs/dbraw/zinc/41/13/52/618411352.db2.gz WPJSHBBTOYGLKG-AEFFLSMTSA-N 2 0 299.462 2.777 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925119807 618411774 /nfs/dbraw/zinc/41/17/74/618411774.db2.gz ZFZNDLFMBDMQBJ-GDBMZVCRSA-N 2 0 280.456 2.558 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000925657411 618413281 /nfs/dbraw/zinc/41/32/81/618413281.db2.gz SCWFBNSJOOINML-JPIQDLEPSA-N 2 0 280.456 2.510 20 0 CFADRP CC(C)N(Cc1cccs1)C[C@@H]([NH3+])CC(F)F ZINC000310365447 618420177 /nfs/dbraw/zinc/42/01/77/618420177.db2.gz LVZLYOUZGKMZAW-JTQLQIEISA-N 2 0 262.369 2.941 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1COCC1(C)C ZINC000894179510 618429654 /nfs/dbraw/zinc/42/96/54/618429654.db2.gz DPJUSFUMMUDJRB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000925665108 618430252 /nfs/dbraw/zinc/43/02/52/618430252.db2.gz ILDZWOWHKJWHLF-OWCLPIDISA-N 2 0 288.435 2.876 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C1 ZINC000925666160 618433031 /nfs/dbraw/zinc/43/30/31/618433031.db2.gz QUHGGZWRKQPXHB-VXGBXAGGSA-N 2 0 299.365 2.679 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)CC1 ZINC000895180128 618442727 /nfs/dbraw/zinc/44/27/27/618442727.db2.gz KLKSRKDZCZEOFX-GFCCVEGCSA-N 2 0 279.255 2.892 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924561044 618466313 /nfs/dbraw/zinc/46/63/13/618466313.db2.gz SVCVDPXPLJBSSD-QAPCUYQASA-N 2 0 289.467 2.883 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000925685446 618479761 /nfs/dbraw/zinc/47/97/61/618479761.db2.gz NJMIJJSWRABDCA-ZBFHGGJFSA-N 2 0 275.440 2.539 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCCO1 ZINC000895223856 618483776 /nfs/dbraw/zinc/48/37/76/618483776.db2.gz BVPCLFUBZFAERN-WFDRTZIDSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@H](CCNC/C=C/c1ccc(F)cc1F)[NH+](C)C ZINC000895294033 618513081 /nfs/dbraw/zinc/51/30/81/618513081.db2.gz NRZZLIJPHMINCE-ZYOFXKKJSA-N 2 0 268.351 2.908 20 0 CFADRP C[C@@H](CCNCc1ccc2c(c1)OCCCCO2)[NH+](C)C ZINC000895294316 618513164 /nfs/dbraw/zinc/51/31/64/618513164.db2.gz SWLFCOMOEOGHGI-AWEZNQCLSA-N 2 0 292.423 2.668 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000895292537 618515015 /nfs/dbraw/zinc/51/50/15/618515015.db2.gz DCNDWCNQGOVXCE-LSDHHAIUSA-N 2 0 291.439 2.642 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1OC ZINC000895292367 618515035 /nfs/dbraw/zinc/51/50/35/618515035.db2.gz BJEPDZYGZNNFRN-UONOGXRCSA-N 2 0 294.439 2.565 20 0 CFADRP C[C@@H](CC[NH2+]CCSCc1ccccc1)[NH+](C)C ZINC000895292310 618515043 /nfs/dbraw/zinc/51/50/43/618515043.db2.gz BDBSAUXRBFOVBQ-AWEZNQCLSA-N 2 0 266.454 2.850 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000895396987 618568037 /nfs/dbraw/zinc/56/80/37/618568037.db2.gz MVSSUACYBHAHRF-UHFFFAOYSA-N 2 0 294.483 2.638 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1)[NH+](C)C ZINC000895428148 618576913 /nfs/dbraw/zinc/57/69/13/618576913.db2.gz GHFYXLVVBIIWRY-IJEWVQPXSA-N 2 0 276.424 2.556 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926726658 618606758 /nfs/dbraw/zinc/60/67/58/618606758.db2.gz JNAQRVHNQBVVQJ-MAZHCROVSA-N 2 0 262.397 2.576 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000236205732 618610446 /nfs/dbraw/zinc/61/04/46/618610446.db2.gz NIOCWQGAGGARQE-UHFFFAOYSA-N 2 0 255.365 2.594 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000892563833 618634502 /nfs/dbraw/zinc/63/45/02/618634502.db2.gz GYTUXWUOERYCRR-GOSISDBHSA-N 2 0 295.515 2.674 20 0 CFADRP COC1CCC(C[NH2+]CCN2CCCC[C@@H]2C)CC1 ZINC000892573646 618638594 /nfs/dbraw/zinc/63/85/94/618638594.db2.gz UOBJVLZJWCCYJD-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892584594 618642675 /nfs/dbraw/zinc/64/26/75/618642675.db2.gz MOKFTRIOSATUQE-MRXNPFEDSA-N 3 0 281.488 2.572 20 0 CFADRP COc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)o1 ZINC000892589625 618644577 /nfs/dbraw/zinc/64/45/77/618644577.db2.gz SITSJHFWTXTLPK-UHFFFAOYSA-N 2 0 280.412 2.890 20 0 CFADRP Cc1ccc(CC[NH2+]CCCC[NH+]2CCOCC2)cc1C ZINC000892594087 618646471 /nfs/dbraw/zinc/64/64/71/618646471.db2.gz HBQSATAVMDZPOI-UHFFFAOYSA-N 2 0 290.451 2.548 20 0 CFADRP COCCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000892606911 618651996 /nfs/dbraw/zinc/65/19/96/618651996.db2.gz GNTRISCQLRTXJT-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CCCSC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892608957 618652235 /nfs/dbraw/zinc/65/22/35/618652235.db2.gz SPJUWYXCXGCZRO-MELADBBJSA-N 2 0 256.459 2.735 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000892622483 618658642 /nfs/dbraw/zinc/65/86/42/618658642.db2.gz QJOZBWVAVUPTMR-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP Cc1nc(CNC[C@@H](C)C[NH+]2CCCCC2)sc1C ZINC000892633472 618664890 /nfs/dbraw/zinc/66/48/90/618664890.db2.gz WCZBZFPHTHHRNZ-GFCCVEGCSA-N 2 0 281.469 2.972 20 0 CFADRP Cc1cc(CNC[C@H](C)C[NH+]2CCCCC2)cnc1F ZINC000892633522 618664987 /nfs/dbraw/zinc/66/49/87/618664987.db2.gz WRUAGSVMZOJOMM-ZDUSSCGKSA-N 2 0 279.403 2.741 20 0 CFADRP COc1ccc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000892674489 618694121 /nfs/dbraw/zinc/69/41/21/618694121.db2.gz VXPZZACDGCIGAB-STQMWFEESA-N 2 0 285.391 2.560 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCC[NH+](C)C ZINC000892740054 618737742 /nfs/dbraw/zinc/73/77/42/618737742.db2.gz ICLRIDFSQDIPFO-UHFFFAOYSA-N 2 0 266.433 2.512 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(N)[nH+]cc2Cl)C1 ZINC000892822716 618751560 /nfs/dbraw/zinc/75/15/60/618751560.db2.gz JXYQZUFXLUNWDI-NXEZZACHSA-N 2 0 268.792 2.602 20 0 CFADRP Cc1cc(N)nc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000892852120 618757441 /nfs/dbraw/zinc/75/74/41/618757441.db2.gz VNCGDZJUQFKRDC-UHFFFAOYSA-N 2 0 289.427 2.576 20 0 CFADRP CC[NH+](CC)[C@H](C)CNC1CC[NH+](CCC(C)C)CC1 ZINC000924617664 618800194 /nfs/dbraw/zinc/80/01/94/618800194.db2.gz QLGNNIBMYFITPM-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000924618329 618808278 /nfs/dbraw/zinc/80/82/78/618808278.db2.gz XXHQXOSLVQIGDI-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000893042300 618812286 /nfs/dbraw/zinc/81/22/86/618812286.db2.gz QCPHQMGHAAUCJU-SFHVURJKSA-N 2 0 298.434 2.556 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000893061933 618817231 /nfs/dbraw/zinc/81/72/31/618817231.db2.gz PQPJDELVOBGYBA-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000893067982 618820197 /nfs/dbraw/zinc/82/01/97/618820197.db2.gz NMKZSBPYSPNKCL-UHFFFAOYSA-N 2 0 279.403 2.741 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000893086260 618826631 /nfs/dbraw/zinc/82/66/31/618826631.db2.gz MVIMSBWPFAXEEY-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000925503224 618827946 /nfs/dbraw/zinc/82/79/46/618827946.db2.gz IQDFXCDIMGVVIH-INIZCTEOSA-N 2 0 271.408 2.762 20 0 CFADRP COC1CCC(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000893094980 618829005 /nfs/dbraw/zinc/82/90/05/618829005.db2.gz RGORZBCATHHDMA-PYBGIAKNSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@]2(C)Br)C1 ZINC000893094368 618829150 /nfs/dbraw/zinc/82/91/50/618829150.db2.gz ICZQNCBIEXIHBD-RVMXOQNASA-N 2 0 289.261 2.622 20 0 CFADRP CC(C)OCCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925503616 618829351 /nfs/dbraw/zinc/82/93/51/618829351.db2.gz IXANOCFZEBFHRX-MRXNPFEDSA-N 2 0 264.413 2.871 20 0 CFADRP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)c1cccs1 ZINC000925505945 618834651 /nfs/dbraw/zinc/83/46/51/618834651.db2.gz PXDRKRCVAGWZGY-ZFWWWQNUSA-N 2 0 293.480 2.615 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925509439 618843670 /nfs/dbraw/zinc/84/36/70/618843670.db2.gz WJIPPDNGHGFJBF-VZEFYGNVSA-N 2 0 288.435 2.606 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925509720 618844645 /nfs/dbraw/zinc/84/46/45/618844645.db2.gz OMBMHXPIRHVAFY-SJORKVTESA-N 2 0 287.451 2.554 20 0 CFADRP CC(C)[NH+](CCN[C@@H](c1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000925509642 618844830 /nfs/dbraw/zinc/84/48/30/618844830.db2.gz NKHRYBGYYCAJGN-DOTOQJQBSA-N 2 0 277.456 2.783 20 0 CFADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925512069 618850800 /nfs/dbraw/zinc/85/08/00/618850800.db2.gz YYZGKLQXZLYOQI-QGZVFWFLSA-N 2 0 298.434 2.691 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)SC ZINC000925514756 618853315 /nfs/dbraw/zinc/85/33/15/618853315.db2.gz LTTLYRVGTWESNF-GFCCVEGCSA-N 2 0 256.459 2.782 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)[nH]1 ZINC000930541406 618859411 /nfs/dbraw/zinc/85/94/11/618859411.db2.gz XTOGBLSODUOUBC-NWDGAFQWSA-N 2 0 255.312 2.504 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000925521566 618860841 /nfs/dbraw/zinc/86/08/41/618860841.db2.gz VSHZMSQQUBUIFY-QGZVFWFLSA-N 2 0 287.451 2.513 20 0 CFADRP CCCCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925523792 618865896 /nfs/dbraw/zinc/86/58/96/618865896.db2.gz ZTQJYCGKURNHDS-JKSUJKDBSA-N 2 0 268.445 2.561 20 0 CFADRP c1ccc(CCCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925524548 618868058 /nfs/dbraw/zinc/86/80/58/618868058.db2.gz VCFUITRWVKMFMW-TXTZMMAHSA-N 2 0 270.420 2.595 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925525374 618869161 /nfs/dbraw/zinc/86/91/61/618869161.db2.gz HQQWWWRIPFEIOJ-JKSUJKDBSA-N 2 0 276.424 2.829 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCN1CCCCCC1)c1ccccc1 ZINC000925528084 618876673 /nfs/dbraw/zinc/87/66/73/618876673.db2.gz YKTLUQZMWOPFIG-SFHVURJKSA-N 2 0 289.467 2.932 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925530520 618882484 /nfs/dbraw/zinc/88/24/84/618882484.db2.gz SEVAZNKMATVPPM-IKGGRYGDSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925534950 618887489 /nfs/dbraw/zinc/88/74/89/618887489.db2.gz ALXNDGXEHMMULP-GOEBONIOSA-N 2 0 281.488 2.602 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000925535240 618888165 /nfs/dbraw/zinc/88/81/65/618888165.db2.gz UGGFSXIDOADKED-HOCLYGCPSA-N 2 0 293.499 2.889 20 0 CFADRP Cc1csc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925535833 618888712 /nfs/dbraw/zinc/88/87/12/618888712.db2.gz AHPHBDRNVFBTQH-CABCVRRESA-N 2 0 293.480 2.752 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1(C)C ZINC000925539561 618897260 /nfs/dbraw/zinc/89/72/60/618897260.db2.gz CIIFXWUGJGPECW-LVQVYYBASA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H]1CCCN(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925550993 618912261 /nfs/dbraw/zinc/91/22/61/618912261.db2.gz OVVULHXVCMBYDK-FUHWJXTLSA-N 2 0 289.467 2.788 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+]CC2CC[NH+](C)CC2)cn1 ZINC000893268834 618919081 /nfs/dbraw/zinc/91/90/81/618919081.db2.gz IWVOGQSFGGGDAH-UHFFFAOYSA-N 2 0 298.434 2.519 20 0 CFADRP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925693931 618940566 /nfs/dbraw/zinc/94/05/66/618940566.db2.gz STXOLCGVAHEROT-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925694204 618940929 /nfs/dbraw/zinc/94/09/29/618940929.db2.gz REEXGWPNVLAOIP-HZPDHXFCSA-N 2 0 275.440 2.540 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000925699985 618952446 /nfs/dbraw/zinc/95/24/46/618952446.db2.gz QVCONONUJZQOLY-MAUKXSAKSA-N 2 0 289.467 2.977 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c(F)c1 ZINC000925703850 618957307 /nfs/dbraw/zinc/95/73/07/618957307.db2.gz VQARPIYSDHGXAO-FVQBIDKESA-N 2 0 292.398 2.579 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c2ccccc21 ZINC000925710003 618964547 /nfs/dbraw/zinc/96/45/47/618964547.db2.gz PVPZYAVBHJVNOR-GOSISDBHSA-N 2 0 297.446 2.985 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253853 618967186 /nfs/dbraw/zinc/96/71/86/618967186.db2.gz TZBXVNYQPVJWNH-AXFHLTTASA-N 2 0 265.228 2.820 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925722037 618981939 /nfs/dbraw/zinc/98/19/39/618981939.db2.gz SKWRUOODMMSTDH-LEOABGAYSA-N 2 0 280.456 2.545 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925722249 618984062 /nfs/dbraw/zinc/98/40/62/618984062.db2.gz KEPYIKDYQLSAHZ-RFQIPJPRSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000925723580 618992636 /nfs/dbraw/zinc/99/26/36/618992636.db2.gz RKSZHTSGHRZJHA-BBWFWOEESA-N 2 0 288.435 2.624 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000925725507 619005367 /nfs/dbraw/zinc/00/53/67/619005367.db2.gz LHQBBVQTUNSHEL-QXSJWSMHSA-N 2 0 280.456 2.559 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925726533 619012449 /nfs/dbraw/zinc/01/24/49/619012449.db2.gz JDZWDBHZHFFABN-VYDXJSESSA-N 2 0 287.451 2.669 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893489563 619016344 /nfs/dbraw/zinc/01/63/44/619016344.db2.gz ZCUDRDZCFBVZTN-RDJZCZTQSA-N 3 0 293.499 2.571 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093488541 619029927 /nfs/dbraw/zinc/02/99/27/619029927.db2.gz LUOMIZGGIPSHSL-OKZBNKHCSA-N 2 0 293.499 2.761 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925732409 619040988 /nfs/dbraw/zinc/04/09/88/619040988.db2.gz GOFYDTUCYKUBCY-LLVKDONJSA-N 2 0 260.372 2.932 20 0 CFADRP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000893554536 619069469 /nfs/dbraw/zinc/06/94/69/619069469.db2.gz XDLNXHHOVPGSDZ-HUUCEWRRSA-N 2 0 298.471 2.674 20 0 CFADRP FC(F)(F)C1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000094010036 619071932 /nfs/dbraw/zinc/07/19/32/619071932.db2.gz LUABZRODHCVTIU-UHFFFAOYSA-N 2 0 264.335 2.697 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925765404 619076522 /nfs/dbraw/zinc/07/65/22/619076522.db2.gz BFCDMCPVZZEKFX-WBMJQRKESA-N 2 0 271.364 2.530 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(Br)cc1 ZINC000258976119 619091510 /nfs/dbraw/zinc/09/15/10/619091510.db2.gz UOHDZEWZIKYFHW-UHFFFAOYSA-N 2 0 271.202 2.666 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000925776186 619097208 /nfs/dbraw/zinc/09/72/08/619097208.db2.gz JPWYLLDZLLMWCH-OLZOCXBDSA-N 2 0 272.383 2.934 20 0 CFADRP CSCC1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925776173 619097389 /nfs/dbraw/zinc/09/73/89/619097389.db2.gz JNGFYNVPOMYZNU-CPCZMJQVSA-N 2 0 292.439 2.743 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000259956318 619104296 /nfs/dbraw/zinc/10/42/96/619104296.db2.gz HAQHHLAQXHOBRG-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094366198 619105036 /nfs/dbraw/zinc/10/50/36/619105036.db2.gz BCKBRAKBSZQOTA-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094366199 619105141 /nfs/dbraw/zinc/10/51/41/619105141.db2.gz BCKBRAKBSZQOTA-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925786382 619111934 /nfs/dbraw/zinc/11/19/34/619111934.db2.gz RTXBNZAQLURRAX-UGUYLWEFSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925788859 619113477 /nfs/dbraw/zinc/11/34/77/619113477.db2.gz CIYRDRHVJOGZNY-CPUCHLNUSA-N 2 0 298.434 2.687 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1F ZINC000925793697 619117626 /nfs/dbraw/zinc/11/76/26/619117626.db2.gz AIFHIRDABVJUCF-YRGRVCCFSA-N 2 0 280.387 2.731 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1N(C)C ZINC000925796596 619119132 /nfs/dbraw/zinc/11/91/32/619119132.db2.gz KWEBLWVKANBQPV-QLFBSQMISA-N 2 0 275.440 2.649 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925796478 619119201 /nfs/dbraw/zinc/11/92/01/619119201.db2.gz CIWUTUDKARVCTF-NQBHXWOUSA-N 2 0 281.469 2.910 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925801371 619121914 /nfs/dbraw/zinc/12/19/14/619121914.db2.gz ALMYGQWMUPYKPZ-IJLUTSLNSA-N 2 0 297.830 2.640 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000925804030 619123955 /nfs/dbraw/zinc/12/39/55/619123955.db2.gz YAVGIWFPYWSYMK-XJKCOSOUSA-N 2 0 274.408 2.605 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925809776 619128371 /nfs/dbraw/zinc/12/83/71/619128371.db2.gz WNWUIYQJBUMQHR-RDJZCZTQSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2nccn2C1)c1cccc(C[NH+](C)C)c1 ZINC000925811141 619129448 /nfs/dbraw/zinc/12/94/48/619129448.db2.gz CKJVTYZVJJKVSN-RHSMWYFYSA-N 2 0 298.434 2.610 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)C(C)(C)C ZINC000925811240 619129882 /nfs/dbraw/zinc/12/98/82/619129882.db2.gz ZGFBRQQIRXNHHX-HNNXBMFYSA-N 2 0 289.467 2.616 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000094965764 619141918 /nfs/dbraw/zinc/14/19/18/619141918.db2.gz RMXJOLBDGRHWLY-UHFFFAOYSA-N 2 0 267.442 2.581 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925822946 619144197 /nfs/dbraw/zinc/14/41/97/619144197.db2.gz MNBJWSRGELYRTK-LLDYLOADSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000893654247 619146356 /nfs/dbraw/zinc/14/63/56/619146356.db2.gz UVFHYHIJPQEECL-MAUKXSAKSA-N 2 0 289.467 2.609 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1cc(F)ccc1OC ZINC000925826805 619155911 /nfs/dbraw/zinc/15/59/11/619155911.db2.gz JQJITCQABJRXSN-HIFRSBDPSA-N 2 0 298.402 2.629 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)[C@H]1CCCC[NH2+]1 ZINC000925827631 619157395 /nfs/dbraw/zinc/15/73/95/619157395.db2.gz AIIVDZXDQWOWAH-UMSGYPCISA-N 2 0 294.361 2.607 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925827917 619157918 /nfs/dbraw/zinc/15/79/18/619157918.db2.gz YEAMXMUCEYQPGX-LAVFITLUSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000925829687 619160765 /nfs/dbraw/zinc/16/07/65/619160765.db2.gz DCHYXUFHCZBIPJ-ZIAGYGMSSA-N 2 0 276.399 2.835 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925829796 619160878 /nfs/dbraw/zinc/16/08/78/619160878.db2.gz DSQUNQJLPBXAJM-INIZCTEOSA-N 2 0 294.414 2.591 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925829810 619161200 /nfs/dbraw/zinc/16/12/00/619161200.db2.gz BTVSUZCCROMREP-WMZOPIPTSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830914 619162112 /nfs/dbraw/zinc/16/21/12/619162112.db2.gz GPMONUQZGMKGEU-SCUASFONSA-N 2 0 286.341 2.733 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cnc2ccccc2c1 ZINC000925834777 619166033 /nfs/dbraw/zinc/16/60/33/619166033.db2.gz YQWNKNIDEVXXKD-CQSZACIVSA-N 2 0 271.408 2.884 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000261575952 619172567 /nfs/dbraw/zinc/17/25/67/619172567.db2.gz NLAHNUZXCNCAGY-WOPDTQHZSA-N 2 0 264.335 2.649 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261595279 619173440 /nfs/dbraw/zinc/17/34/40/619173440.db2.gz DORRTRKEYIDMSH-GVDBMIGSSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841187 619174838 /nfs/dbraw/zinc/17/48/38/619174838.db2.gz HMIHNLOPQKZQPG-NWANDNLSSA-N 2 0 264.438 2.801 20 0 CFADRP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCCC1 ZINC000925842708 619175551 /nfs/dbraw/zinc/17/55/51/619175551.db2.gz BOYAVHBEERSRCB-KRWDZBQOSA-N 2 0 281.488 2.620 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842668 619175648 /nfs/dbraw/zinc/17/56/48/619175648.db2.gz BOXOVRSKWHGMMY-IRXDYDNUSA-N 2 0 281.488 2.620 20 0 CFADRP CCCCCC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000094987672 619176127 /nfs/dbraw/zinc/17/61/27/619176127.db2.gz OMWBTCBJUZKXHG-HNNXBMFYSA-N 2 0 270.461 2.639 20 0 CFADRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000925848215 619181553 /nfs/dbraw/zinc/18/15/53/619181553.db2.gz CNPVCAIWIGFUPR-INIZCTEOSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925856240 619185351 /nfs/dbraw/zinc/18/53/51/619185351.db2.gz DXXXOKFCVODHPO-ORBLRFAASA-N 3 0 279.472 2.514 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1(C)C ZINC000261648750 619185753 /nfs/dbraw/zinc/18/57/53/619185753.db2.gz QTESDYVUPDILLW-CQJMVSDSSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnccc1N ZINC000925860920 619187475 /nfs/dbraw/zinc/18/74/75/619187475.db2.gz MDMYZATWXCXDCD-CBCUQQMYSA-N 2 0 288.439 2.552 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCS[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000925861879 619188007 /nfs/dbraw/zinc/18/80/07/619188007.db2.gz USJYGSGIBBPYSJ-RFQIPJPRSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@H]1CCC[NH2+]1 ZINC000925862278 619188461 /nfs/dbraw/zinc/18/84/61/619188461.db2.gz ZMUMFRMADHEMJO-RWMBFGLXSA-N 2 0 254.443 2.535 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925871965 619193048 /nfs/dbraw/zinc/19/30/48/619193048.db2.gz MLYFGIBLYNSSNY-QBPKDAKJSA-N 2 0 285.435 2.969 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000925874394 619195298 /nfs/dbraw/zinc/19/52/98/619195298.db2.gz JHSQIPBYKQVADV-GJZGRUSLSA-N 2 0 274.408 2.617 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000925875683 619196139 /nfs/dbraw/zinc/19/61/39/619196139.db2.gz LWWFMCYHQMRBSI-WOPDTQHZSA-N 2 0 265.426 2.546 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000925875779 619196422 /nfs/dbraw/zinc/19/64/22/619196422.db2.gz NJXNBQQRJHTRFW-CBZIJGRNSA-N 3 0 293.499 2.747 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCC2 ZINC000925876297 619196616 /nfs/dbraw/zinc/19/66/16/619196616.db2.gz SRVKNZAKRRVGOI-GRYCIOLGSA-N 2 0 279.453 2.800 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925882453 619202345 /nfs/dbraw/zinc/20/23/45/619202345.db2.gz MNWQQHJIKDRHLH-SQNIBIBYSA-N 2 0 290.451 2.945 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000894231336 619273113 /nfs/dbraw/zinc/27/31/13/619273113.db2.gz NJPOKXNBBDTGLO-UHFFFAOYSA-N 2 0 292.423 2.986 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924910658 619277699 /nfs/dbraw/zinc/27/76/99/619277699.db2.gz VKMMVPXFIUQARR-KGLIPLIRSA-N 2 0 264.413 2.824 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000924948622 619297092 /nfs/dbraw/zinc/29/70/92/619297092.db2.gz IGYGLPGKJBEWFD-BRWVUGGUSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000924955865 619301475 /nfs/dbraw/zinc/30/14/75/619301475.db2.gz ROOQCQJVHLMCJC-HOTGVXAUSA-N 2 0 270.461 2.638 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)c1 ZINC000924957292 619302321 /nfs/dbraw/zinc/30/23/21/619302321.db2.gz FTBKFBUVDSZMAU-JJRVBVJISA-N 2 0 276.424 2.651 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924964278 619307051 /nfs/dbraw/zinc/30/70/51/619307051.db2.gz AGHYBUBAJJSSRS-QGZVFWFLSA-N 2 0 297.531 2.920 20 0 CFADRP CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925039145 619353069 /nfs/dbraw/zinc/35/30/69/619353069.db2.gz AYGVPBLZCZQUMV-WMLDXEAASA-N 2 0 278.440 2.950 20 0 CFADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925046736 619356258 /nfs/dbraw/zinc/35/62/58/619356258.db2.gz RKXGRCFADDEDTO-WBVHZDCISA-N 2 0 284.488 2.884 20 0 CFADRP CCON1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000925047968 619357865 /nfs/dbraw/zinc/35/78/65/619357865.db2.gz GTHTUPTUKLQLNM-UHFFFAOYSA-N 2 0 297.487 2.648 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC=C(c3ccco3)C2)CC1 ZINC000894392552 619365158 /nfs/dbraw/zinc/36/51/58/619365158.db2.gz ZMHCIQQIORZFBN-UHFFFAOYSA-N 2 0 260.381 2.711 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000894397896 619367890 /nfs/dbraw/zinc/36/78/90/619367890.db2.gz YIPXCPKTZRWCLT-UHFFFAOYSA-N 2 0 298.471 2.676 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000262018900 619376586 /nfs/dbraw/zinc/37/65/86/619376586.db2.gz VYLXHSGHMZPUOA-HIFRSBDPSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000894455918 619390806 /nfs/dbraw/zinc/39/08/06/619390806.db2.gz NXBXRGUVHADDKD-QGZVFWFLSA-N 2 0 295.515 2.817 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cnn(C2CCC2)c1 ZINC000894479902 619397424 /nfs/dbraw/zinc/39/74/24/619397424.db2.gz DCJDDZUIYOKPTM-UHFFFAOYSA-N 2 0 278.444 2.772 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2nccc3c2CCCC3)C1 ZINC000894497274 619400478 /nfs/dbraw/zinc/40/04/78/619400478.db2.gz WNCHMGFDNJNLIM-VQIMIIECSA-N 2 0 299.462 2.877 20 0 CFADRP COC1CCC(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC1 ZINC000894495871 619402744 /nfs/dbraw/zinc/40/27/44/619402744.db2.gz MILDGKBBZYUYMQ-MNAZLIDISA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC000894585713 619424491 /nfs/dbraw/zinc/42/44/91/619424491.db2.gz UXSBMOPFDXPMBX-MRXNPFEDSA-N 2 0 273.424 2.806 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cn3)C2)CC1 ZINC000894779353 619464279 /nfs/dbraw/zinc/46/42/79/619464279.db2.gz GSGBNSSLJPYBRO-AWEZNQCLSA-N 2 0 293.842 2.899 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(Cl)cn2)C1 ZINC000894783795 619466498 /nfs/dbraw/zinc/46/64/98/619466498.db2.gz XUPTUNZRQOPXON-IUODEOHRSA-N 2 0 279.815 2.651 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894784082 619466720 /nfs/dbraw/zinc/46/67/20/619466720.db2.gz AZGHIHNKCLYFPR-WFDRTZIDSA-N 2 0 266.429 2.549 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000894961440 619516840 /nfs/dbraw/zinc/51/68/40/619516840.db2.gz KZFVFGDVQDTWJE-HNNXBMFYSA-N 2 0 268.470 2.546 20 0 CFADRP COC1CCC(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000895479577 619538964 /nfs/dbraw/zinc/53/89/64/619538964.db2.gz RPHQBTXHGCIGNP-NXYGQSRBSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)CC1 ZINC000895666599 619581503 /nfs/dbraw/zinc/58/15/03/619581503.db2.gz ONVULVIOOXSHFX-INIZCTEOSA-N 2 0 274.408 2.523 20 0 CFADRP COc1ccc2c(N[C@H]3CC[N@H+](C)[C@H]3C)cc[nH+]c2c1 ZINC000895741082 619594181 /nfs/dbraw/zinc/59/41/81/619594181.db2.gz YOLNJMCLBXNYJD-FZMZJTMJSA-N 2 0 271.364 2.748 20 0 CFADRP CCc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)cc[nH+]1 ZINC000895890474 619628379 /nfs/dbraw/zinc/62/83/79/619628379.db2.gz JLXKXZVUXNDQMQ-KRWDZBQOSA-N 2 0 284.407 2.566 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000896892591 619864594 /nfs/dbraw/zinc/86/45/94/619864594.db2.gz RIRFGVDJLYDELN-UHFFFAOYSA-N 2 0 287.407 2.610 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000925145630 619970334 /nfs/dbraw/zinc/97/03/34/619970334.db2.gz BSTDHRYMONPZPY-GRDNDAEWSA-N 2 0 276.424 2.824 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000163261227 619993327 /nfs/dbraw/zinc/99/33/27/619993327.db2.gz UMFQHYJMWRFDQU-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000925157694 619995644 /nfs/dbraw/zinc/99/56/44/619995644.db2.gz SWSVZJXYSXNBTG-HNNXBMFYSA-N 2 0 275.440 2.724 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000925220940 620034191 /nfs/dbraw/zinc/03/41/91/620034191.db2.gz KSWXYYBTJOXZHY-NXOAAHMSSA-N 2 0 282.472 2.780 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000925241003 620062506 /nfs/dbraw/zinc/06/25/06/620062506.db2.gz NBEAFQVEWVGJHI-LRDDRELGSA-N 2 0 298.402 2.539 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)C2CCOCC2)CC1 ZINC000897449922 620173699 /nfs/dbraw/zinc/17/36/99/620173699.db2.gz FJDOZTNOOALEPC-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccn(-c3ccccc3)n2)CC[NH2+]1 ZINC000841006195 620212592 /nfs/dbraw/zinc/21/25/92/620212592.db2.gz CKTBOSARXQWLPK-HZPDHXFCSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000237459769 620223240 /nfs/dbraw/zinc/22/32/40/620223240.db2.gz VHYTYRLOYHLUJP-GDBMZVCRSA-N 2 0 292.423 2.605 20 0 CFADRP C(CCC[NH+]1CCSCC1)CC[NH+]1CCSCC1 ZINC000729814472 620256274 /nfs/dbraw/zinc/25/62/74/620256274.db2.gz FAGZYUVUQKCTMY-UHFFFAOYSA-N 2 0 288.526 2.644 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841031836 620258304 /nfs/dbraw/zinc/25/83/04/620258304.db2.gz YSXZINYZVGZFNS-SJLPKXTDSA-N 2 0 293.499 2.748 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000897621444 620260525 /nfs/dbraw/zinc/26/05/25/620260525.db2.gz BMMPCFQFZSMZSR-MXASKKJJSA-N 2 0 262.441 2.862 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621562 620260572 /nfs/dbraw/zinc/26/05/72/620260572.db2.gz IIMZTJWTLWSWOQ-RYQLBKOJSA-N 2 0 272.436 2.749 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621867 620261411 /nfs/dbraw/zinc/26/14/11/620261411.db2.gz XGOMFGQDLUENSD-LTIDMASMSA-N 2 0 262.441 2.862 20 0 CFADRP CSCc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000897620046 620261689 /nfs/dbraw/zinc/26/16/89/620261689.db2.gz FHQGZZSMAHBEJI-DLBZAZTESA-N 2 0 290.476 2.933 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C[C@]2(C)C1 ZINC000897620711 620262596 /nfs/dbraw/zinc/26/25/96/620262596.db2.gz WRCOMDJVENZRSV-MHORFTMASA-N 2 0 270.420 2.674 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCSC(C)(C)C2)CC1 ZINC000897790251 620285157 /nfs/dbraw/zinc/28/51/57/620285157.db2.gz SUMVIYUSOXGSSO-CYBMUJFWSA-N 2 0 256.459 2.592 20 0 CFADRP CCCCn1nc(C)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1Cl ZINC000841036511 620299685 /nfs/dbraw/zinc/29/96/85/620299685.db2.gz PGEXYQFBMMWUQR-ZDUSSCGKSA-N 2 0 298.862 2.734 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)OC ZINC000897982765 620318352 /nfs/dbraw/zinc/31/83/52/620318352.db2.gz RAGDTVKDQSJIAB-CJNGLKHVSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)C1CCCC1 ZINC000897982750 620318408 /nfs/dbraw/zinc/31/84/08/620318408.db2.gz QVEYLPHJAJRHEZ-KRWDZBQOSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)OC ZINC000897982766 620318426 /nfs/dbraw/zinc/31/84/26/620318426.db2.gz RAGDTVKDQSJIAB-CZUORRHYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C(C)(C)O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898123376 620337098 /nfs/dbraw/zinc/33/70/98/620337098.db2.gz VSNWPFXVOPCINY-HLLBOEOZSA-N 2 0 290.451 2.646 20 0 CFADRP CC[NH+](CC)CC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898298798 620367395 /nfs/dbraw/zinc/36/73/95/620367395.db2.gz UWPBNYRGBAWTDD-UHFFFAOYSA-N 2 0 298.390 2.527 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924631143 620424492 /nfs/dbraw/zinc/42/44/92/620424492.db2.gz FLBIBYOSJNYOLA-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000924634682 620427143 /nfs/dbraw/zinc/42/71/43/620427143.db2.gz ZXCQLWBMWSALKO-IRXDYDNUSA-N 2 0 295.515 2.673 20 0 CFADRP CCO[C@H](C[NH2+][C@@H](C)CCC=C(C)C)CN(C)C ZINC000926967041 620434234 /nfs/dbraw/zinc/43/42/34/620434234.db2.gz ZMNNNARFYCPEPO-LSDHHAIUSA-N 2 0 256.434 2.678 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924681071 620439521 /nfs/dbraw/zinc/43/95/21/620439521.db2.gz LEGUNFPXXPZFRD-ZWKOTPCHSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCCCO2)CC1 ZINC000927022445 620441164 /nfs/dbraw/zinc/44/11/64/620441164.db2.gz RILOLJQFTFHVBO-MRXNPFEDSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927036293 620444609 /nfs/dbraw/zinc/44/46/09/620444609.db2.gz KCUJPOUPBRXSLE-MBOZISHXSA-N 2 0 280.481 2.735 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1 ZINC000924706815 620447556 /nfs/dbraw/zinc/44/75/56/620447556.db2.gz KAWIWBIIIPWWCM-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924722755 620454122 /nfs/dbraw/zinc/45/41/22/620454122.db2.gz UUGKULOVXYAWHL-IXDOHACOSA-N 2 0 282.472 2.759 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000927134402 620474080 /nfs/dbraw/zinc/47/40/80/620474080.db2.gz JHYRIPQYWSXHGQ-YUELXQCFSA-N 2 0 277.412 2.508 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924754409 620543346 /nfs/dbraw/zinc/54/33/46/620543346.db2.gz SYQCEGURCARFDV-HPUBIQBYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnc(C[NH3+])nc2)c1 ZINC000899322290 620543641 /nfs/dbraw/zinc/54/36/41/620543641.db2.gz GELSTDHPCSKABS-ZDUSSCGKSA-N 2 0 282.391 2.587 20 0 CFADRP C[NH+](C)CCOc1ccccc1-c1csc(C[NH3+])c1 ZINC000899324509 620543876 /nfs/dbraw/zinc/54/38/76/620543876.db2.gz MXUZPJJTIKVHHT-UHFFFAOYSA-N 2 0 276.405 2.814 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924754439 620544252 /nfs/dbraw/zinc/54/42/52/620544252.db2.gz SYQCEGURCARFDV-UQPPLGOBSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CCCCCCCOc1ccc2c(c1)CC[NH2+]CC2 ZINC000899588488 620584094 /nfs/dbraw/zinc/58/40/94/620584094.db2.gz DAHMLXCHJRDYCU-UHFFFAOYSA-N 2 0 276.424 2.663 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000902078777 620969335 /nfs/dbraw/zinc/96/93/35/620969335.db2.gz OKPYUNGRTICQTI-CQSZACIVSA-N 2 0 261.413 2.550 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000902066110 620973343 /nfs/dbraw/zinc/97/33/43/620973343.db2.gz NHNSDEHHUZPJNT-OAHLLOKOSA-N 2 0 278.444 2.647 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2NC)C1 ZINC000902132963 620979261 /nfs/dbraw/zinc/97/92/61/620979261.db2.gz WMAGDTOZDUIUEW-AWEZNQCLSA-N 2 0 261.413 2.550 20 0 CFADRP CCn1cnc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000902299888 621026270 /nfs/dbraw/zinc/02/62/70/621026270.db2.gz HVMVDRLGEZKFMG-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C1 ZINC000902321844 621028453 /nfs/dbraw/zinc/02/84/53/621028453.db2.gz XWCNSNDCEFEQDH-MRXNPFEDSA-N 2 0 288.435 2.532 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2COc3ccccc3C2)C1 ZINC000902315154 621030752 /nfs/dbraw/zinc/03/07/52/621030752.db2.gz KOMCAZAQIBCOGD-GOEBONIOSA-N 2 0 288.435 2.606 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCCS1 ZINC000902345864 621033967 /nfs/dbraw/zinc/03/39/67/621033967.db2.gz MUOOIAMILPSRGW-OCCSQVGLSA-N 2 0 256.459 2.640 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327658 621037141 /nfs/dbraw/zinc/03/71/41/621037141.db2.gz FZAZFWDABYMAOM-CABCVRRESA-N 3 0 283.504 2.721 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2cccs2)C1 ZINC000902329476 621037597 /nfs/dbraw/zinc/03/75/97/621037597.db2.gz LOMMXFMQICRMKF-LBPRGKRZSA-N 2 0 252.427 2.658 20 0 CFADRP COC1CCC(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902335957 621041312 /nfs/dbraw/zinc/04/13/12/621041312.db2.gz LIHBUUUTQQSUEM-SLTAFYQDSA-N 2 0 268.445 2.559 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902360086 621052673 /nfs/dbraw/zinc/05/26/73/621052673.db2.gz DZFCGITXBPRPAD-MRXNPFEDSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363347 621053509 /nfs/dbraw/zinc/05/35/09/621053509.db2.gz LFTFCPFBVXVSKG-CHWSQXEVSA-N 2 0 250.386 2.578 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364071 621054314 /nfs/dbraw/zinc/05/43/14/621054314.db2.gz YSZQZXNOAGCONW-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000902364649 621054454 /nfs/dbraw/zinc/05/44/54/621054454.db2.gz UBRVNFCVBWOXCY-SWLSCSKDSA-N 2 0 274.408 2.747 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000902364654 621054591 /nfs/dbraw/zinc/05/45/91/621054591.db2.gz UDFIYMLEIWIZHB-OAHLLOKOSA-N 2 0 291.439 2.737 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCS1 ZINC000902406828 621055691 /nfs/dbraw/zinc/05/56/91/621055691.db2.gz UOWSNKMRMSMZTE-AGIUHOORSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCS1 ZINC000902406831 621055727 /nfs/dbraw/zinc/05/57/27/621055727.db2.gz UOWSNKMRMSMZTE-UPJWGTAASA-N 2 0 256.459 2.638 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000902383295 621059512 /nfs/dbraw/zinc/05/95/12/621059512.db2.gz KXCYYKAQQLCGNX-VXGBXAGGSA-N 2 0 260.372 2.790 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902388232 621061288 /nfs/dbraw/zinc/06/12/88/621061288.db2.gz NXJKDFIKSFXYGI-DLBZAZTESA-N 2 0 290.451 2.612 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1(Cl)Cl ZINC000902388340 621061686 /nfs/dbraw/zinc/06/16/86/621061686.db2.gz PGAYYWPEGFTIBZ-CMPLNLGQSA-N 2 0 279.255 2.938 20 0 CFADRP CCOc1cccc2cc([C@H](C)NCC3([NH3+])CC3)oc21 ZINC000902412801 621062683 /nfs/dbraw/zinc/06/26/83/621062683.db2.gz FILSYQFRUYFVQN-NSHDSACASA-N 2 0 274.364 2.973 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000902402365 621068078 /nfs/dbraw/zinc/06/80/78/621068078.db2.gz CDHSYUJSNTWBGY-GOEBONIOSA-N 2 0 273.424 2.901 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000902403550 621068679 /nfs/dbraw/zinc/06/86/79/621068679.db2.gz ILEFVECDTMOIKW-BASLNEPJSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000902403492 621068707 /nfs/dbraw/zinc/06/87/07/621068707.db2.gz HKCSUYPVUXKGKJ-BYCMXARLSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000902403495 621068754 /nfs/dbraw/zinc/06/87/54/621068754.db2.gz HKCSUYPVUXKGKJ-UGFHNGPFSA-N 2 0 260.381 2.542 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000902428402 621075698 /nfs/dbraw/zinc/07/56/98/621075698.db2.gz CKQUVXGQWPWDBT-BZSNNMDCSA-N 2 0 290.451 2.997 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)C1CC1 ZINC000902429592 621076570 /nfs/dbraw/zinc/07/65/70/621076570.db2.gz FJGPLVUMSLBRDU-NSHDSACASA-N 2 0 261.413 2.936 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000902431542 621077539 /nfs/dbraw/zinc/07/75/39/621077539.db2.gz SSCCUMWUVPMCJA-BRSBDYLESA-N 2 0 294.483 2.686 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000902431772 621077821 /nfs/dbraw/zinc/07/78/21/621077821.db2.gz UNZSLWRVRBXFTA-VSZNYVQBSA-N 2 0 292.467 2.702 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CCOCC1 ZINC000902432869 621078233 /nfs/dbraw/zinc/07/82/33/621078233.db2.gz RLUSIHXFDLIJEG-HUUCEWRRSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000902435800 621079404 /nfs/dbraw/zinc/07/94/04/621079404.db2.gz UZPKGZNCBYIYOG-UURKPOQGSA-N 2 0 299.462 2.512 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473112 621085784 /nfs/dbraw/zinc/08/57/84/621085784.db2.gz RAGWLSVOWIMROD-BJKJVOPESA-N 2 0 262.372 2.629 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCSC(C)(C)C1)[NH2+]2 ZINC000902453816 621093130 /nfs/dbraw/zinc/09/31/30/621093130.db2.gz QXXBGICLVWMMLG-XVIXHAIJSA-N 2 0 268.470 2.779 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCS1 ZINC000902455220 621094061 /nfs/dbraw/zinc/09/40/61/621094061.db2.gz WXFOCQUPMHSFJD-AGIUHOORSA-N 2 0 256.459 2.910 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CCS1 ZINC000902455223 621094181 /nfs/dbraw/zinc/09/41/81/621094181.db2.gz WXFOCQUPMHSFJD-UPJWGTAASA-N 2 0 256.459 2.910 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902455190 621094278 /nfs/dbraw/zinc/09/42/78/621094278.db2.gz WAZZUFNHYDJICR-ZPFDUUQYSA-N 2 0 268.351 2.926 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000902457394 621094659 /nfs/dbraw/zinc/09/46/59/621094659.db2.gz RQQPLPXXLCJQIQ-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP FC1(F)CCC(CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000902457985 621094984 /nfs/dbraw/zinc/09/49/84/621094984.db2.gz WFPXTRMHXLCAOY-LXFSFDBISA-N 2 0 284.394 2.788 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000902459170 621095725 /nfs/dbraw/zinc/09/57/25/621095725.db2.gz YARIWFBTVZMOQH-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP c1ccc(C[C@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902465862 621098767 /nfs/dbraw/zinc/09/87/67/621098767.db2.gz GTLWDZDAXAZZKM-UYTYNIKBSA-N 2 0 270.420 2.880 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000902468303 621099942 /nfs/dbraw/zinc/09/99/42/621099942.db2.gz UTRXLQOYHRIOBF-UHFFFAOYSA-N 2 0 275.440 2.858 20 0 CFADRP C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902471255 621101696 /nfs/dbraw/zinc/10/16/96/621101696.db2.gz LITPDGPWRPYTKP-GPFWEFOESA-N 2 0 299.462 2.522 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@H]1OCc1ccccc1 ZINC000902486348 621111476 /nfs/dbraw/zinc/11/14/76/621111476.db2.gz QHRYETGTOQBETA-QBPKDAKJSA-N 2 0 288.435 2.697 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000902486143 621111695 /nfs/dbraw/zinc/11/16/95/621111695.db2.gz PYRPWKOEABJYIY-ZLIFDBKOSA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000902486817 621111938 /nfs/dbraw/zinc/11/19/38/621111938.db2.gz CHQVOQVGMXNTKD-WFBYXXMGSA-N 2 0 250.773 2.654 20 0 CFADRP COCCC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000902487815 621112371 /nfs/dbraw/zinc/11/23/71/621112371.db2.gz UWFBWXYCLBSGHK-DAXOMENPSA-N 2 0 280.387 2.620 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000902487797 621112467 /nfs/dbraw/zinc/11/24/67/621112467.db2.gz MIUYNVJRDMUAFA-RAEVTNRLSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cnn1-c1ccccc1 ZINC000902488265 621112679 /nfs/dbraw/zinc/11/26/79/621112679.db2.gz LMAJUBITNQBLAI-BPLDGKMQSA-N 2 0 284.407 2.569 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000902515742 621115128 /nfs/dbraw/zinc/11/51/28/621115128.db2.gz YWHIDUNVLSLHAC-KZNAEPCWSA-N 2 0 287.451 2.833 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000902515741 621115285 /nfs/dbraw/zinc/11/52/85/621115285.db2.gz YWHIDUNVLSLHAC-FGTMMUONSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000902517408 621115664 /nfs/dbraw/zinc/11/56/64/621115664.db2.gz LRRNHTYGAZBRKP-XFBWCDHKSA-N 2 0 278.827 2.785 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902719952 621156440 /nfs/dbraw/zinc/15/64/40/621156440.db2.gz AHOOQERKNKZDRB-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCCCC1 ZINC000902724619 621158143 /nfs/dbraw/zinc/15/81/43/621158143.db2.gz DUBFBPZDYNRPNT-FIDHJVLJSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+]1CCCCC1 ZINC000902756537 621165864 /nfs/dbraw/zinc/16/58/64/621165864.db2.gz INYUQVUOKAZQMK-GQLSEVEHSA-N 2 0 292.467 2.512 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000902776412 621171172 /nfs/dbraw/zinc/17/11/72/621171172.db2.gz KQPCOVAZEPLLPU-DOTOQJQBSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902791906 621177593 /nfs/dbraw/zinc/17/75/93/621177593.db2.gz ZOWBRULNCBECJC-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902794848 621178973 /nfs/dbraw/zinc/17/89/73/621178973.db2.gz ZFGNKRNEMBSDIH-SJUNHDGSSA-N 2 0 292.467 2.510 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@@H]1COc2ccccc2C1 ZINC000902818596 621181045 /nfs/dbraw/zinc/18/10/45/621181045.db2.gz OGFIPFFKKLAHCQ-NXNVCVFFSA-N 2 0 288.435 2.699 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)[C@@H]1COc2ccccc2C1 ZINC000902818599 621181086 /nfs/dbraw/zinc/18/10/86/621181086.db2.gz OGFIPFFKKLAHCQ-YQFWSFKMSA-N 2 0 288.435 2.699 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902830829 621185843 /nfs/dbraw/zinc/18/58/43/621185843.db2.gz RJZVIVKSARHUSN-NNPSNHGLSA-N 2 0 294.483 2.898 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902881372 621198520 /nfs/dbraw/zinc/19/85/20/621198520.db2.gz PDYHHUSXKYXKTO-QJESEZNXSA-N 2 0 292.467 2.533 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000902965909 621210813 /nfs/dbraw/zinc/21/08/13/621210813.db2.gz ACYDPHPCENTICY-IHRRRGAJSA-N 2 0 273.380 2.946 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+]1CCCC1 ZINC000902971286 621220261 /nfs/dbraw/zinc/22/02/61/621220261.db2.gz SFKSXXGSTRBRKS-FIDHJVLJSA-N 2 0 292.467 2.512 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC000903061827 621237916 /nfs/dbraw/zinc/23/79/16/621237916.db2.gz KPUIRJNHTNHCJB-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)CC1 ZINC000903067715 621239361 /nfs/dbraw/zinc/23/93/61/621239361.db2.gz WEWYFXYRJOVTDW-BRSBDYLESA-N 2 0 295.515 2.674 20 0 CFADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCCC1 ZINC000903089562 621248630 /nfs/dbraw/zinc/24/86/30/621248630.db2.gz RAWBVYRNKFFISV-NXCDMZCRSA-N 2 0 292.467 2.675 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)(C)C ZINC000903105050 621254402 /nfs/dbraw/zinc/25/44/02/621254402.db2.gz ORXNLVCVOQFWMV-WDVRLDOZSA-N 2 0 280.456 2.795 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903106314 621255607 /nfs/dbraw/zinc/25/56/07/621255607.db2.gz YJIGQGZUYRMLMT-HLUMDXQPSA-N 2 0 292.467 2.937 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000903107034 621255798 /nfs/dbraw/zinc/25/57/98/621255798.db2.gz KRSAGUQDRQTREA-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP CCC(CC)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903092966 621257798 /nfs/dbraw/zinc/25/77/98/621257798.db2.gz NXXCCUJREYHUHJ-YQAQFAQXSA-N 2 0 280.456 2.531 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C)C1 ZINC000903097626 621259744 /nfs/dbraw/zinc/25/97/44/621259744.db2.gz HETOZXDAUFCGSV-ADHGMGHFSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251745541 621261127 /nfs/dbraw/zinc/26/11/27/621261127.db2.gz PWRCRXUWICOPAN-NEPJUHHUSA-N 2 0 252.789 2.942 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903130981 621263712 /nfs/dbraw/zinc/26/37/12/621263712.db2.gz GLWPGUUCYKTNAD-OSEWGYIFSA-N 2 0 292.467 2.793 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1(C)C ZINC000903160939 621270803 /nfs/dbraw/zinc/27/08/03/621270803.db2.gz BHKLEIJMGQWBLE-ILXRZTDVSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@@H]2CCC[C@H]21 ZINC000903161984 621271151 /nfs/dbraw/zinc/27/11/51/621271151.db2.gz SAGNRCNVVFEYNZ-JSRQGNBESA-N 2 0 262.441 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@H](C)C1 ZINC000903161195 621271312 /nfs/dbraw/zinc/27/13/12/621271312.db2.gz CZJKJHMPNNAHAB-SDKNFDLMSA-N 2 0 282.497 2.981 20 0 CFADRP C(C[C@@H]1CCCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903148740 621272858 /nfs/dbraw/zinc/27/28/58/621272858.db2.gz WDYZYSQTVGTWOZ-YQAQFAQXSA-N 2 0 278.440 2.693 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2nccc3c2CCCC3)[C@@H]2CCC[C@@H]21 ZINC000903182856 621277526 /nfs/dbraw/zinc/27/75/26/621277526.db2.gz WDKPZXYUSFUXPG-LNLFQRSKSA-N 2 0 299.462 2.923 20 0 CFADRP CCSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903167427 621279027 /nfs/dbraw/zinc/27/90/27/621279027.db2.gz KSXFOMGMPYDKHY-LQDVMPOASA-N 2 0 268.470 2.877 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@H](C)C1 ZINC000903168466 621279122 /nfs/dbraw/zinc/27/91/22/621279122.db2.gz KCEWDAGTAWERBM-JKJDWNRSSA-N 2 0 250.430 2.743 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)ccc21 ZINC000903202359 621283846 /nfs/dbraw/zinc/28/38/46/621283846.db2.gz BAPPGZHESMPWAF-HLLBOEOZSA-N 2 0 298.434 2.536 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@]12C[C@H]1CCC2 ZINC000903224849 621287024 /nfs/dbraw/zinc/28/70/24/621287024.db2.gz BUOMPLQKVUGICJ-AIDGVLJZSA-N 2 0 260.425 2.924 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000903244336 621295730 /nfs/dbraw/zinc/29/57/30/621295730.db2.gz RLOSHTZWEZMURS-ULQDDVLXSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H]2CCC[C@H]21 ZINC000903244335 621295882 /nfs/dbraw/zinc/29/58/82/621295882.db2.gz RLOSHTZWEZMURS-IXDOHACOSA-N 2 0 294.483 2.902 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000903252859 621299552 /nfs/dbraw/zinc/29/95/52/621299552.db2.gz NYFPHOWGTCVJBX-HMGCCCKFSA-N 2 0 290.451 2.691 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000903253156 621299865 /nfs/dbraw/zinc/29/98/65/621299865.db2.gz JCDFUXPOEHLTCV-VUROTCPHSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ncc[nH]1 ZINC000903254546 621300551 /nfs/dbraw/zinc/30/05/51/621300551.db2.gz SIPBSIARLSHUML-VQCLRJIVSA-N 2 0 276.428 2.857 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSC(C)(C)C1 ZINC000903281991 621311673 /nfs/dbraw/zinc/31/16/73/621311673.db2.gz JWCZHEMEGRSTKJ-WJLOJVBCSA-N 2 0 268.470 2.590 20 0 CFADRP C[C@H]([NH2+]C1CC(CCO)C1)c1cccc(C[NH+](C)C)c1 ZINC000903333625 621331932 /nfs/dbraw/zinc/33/19/32/621331932.db2.gz RVNOHVAKRUJTTO-CBCUQQMYSA-N 2 0 276.424 2.560 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000903352797 621344193 /nfs/dbraw/zinc/34/41/93/621344193.db2.gz HFVDSTMXGARDFH-QLFBSQMISA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000903396065 621353337 /nfs/dbraw/zinc/35/33/37/621353337.db2.gz PMJKGGYVLRUAPG-JHNDHUHGSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCC12CC2)c1cccnc1 ZINC000903379837 621355321 /nfs/dbraw/zinc/35/53/21/621355321.db2.gz ZFIUWFAVPDLCPF-JKSUJKDBSA-N 2 0 273.424 2.997 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382541 621356383 /nfs/dbraw/zinc/35/63/83/621356383.db2.gz GFZXCYIXMZUZHE-BMFZPTHFSA-N 2 0 261.413 2.853 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000903427298 621370247 /nfs/dbraw/zinc/37/02/47/621370247.db2.gz VDTMLOOOVAOLEQ-HIFRSBDPSA-N 2 0 274.408 2.515 20 0 CFADRP C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)C1CC[NH+](C)CC1 ZINC000903428798 621371455 /nfs/dbraw/zinc/37/14/55/621371455.db2.gz QOAQRPWZAYSXKY-SUMWQHHRSA-N 2 0 273.424 2.853 20 0 CFADRP Cc1ccc(OC2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903430882 621371917 /nfs/dbraw/zinc/37/19/17/621371917.db2.gz GEEIRCRQLUUGPR-CVEARBPZSA-N 2 0 288.435 2.694 20 0 CFADRP COCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1ccccc1 ZINC000903430909 621372140 /nfs/dbraw/zinc/37/21/40/621372140.db2.gz IGLBOHIUDFKFBK-INMHGKMJSA-N 2 0 276.424 2.552 20 0 CFADRP Cc1ccc(OC2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000903431063 621372301 /nfs/dbraw/zinc/37/23/01/621372301.db2.gz LAOQPEJYRBSTRO-CVEARBPZSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000903432537 621372519 /nfs/dbraw/zinc/37/25/19/621372519.db2.gz DSQTXYCBFJPXOI-FSDCSDTHSA-N 2 0 274.408 2.576 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903431590 621372992 /nfs/dbraw/zinc/37/29/92/621372992.db2.gz QRMMLEBXRYAQJA-PVAVHDDUSA-N 2 0 258.409 2.987 20 0 CFADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435770 621373490 /nfs/dbraw/zinc/37/34/90/621373490.db2.gz ZBEIAEXUNCEQJV-JHNDHUHGSA-N 2 0 274.408 2.576 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434829 621373540 /nfs/dbraw/zinc/37/35/40/621373540.db2.gz LDEIHVZVATUISC-PMPSAXMXSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000903440163 621377138 /nfs/dbraw/zinc/37/71/38/621377138.db2.gz VELLCTUAVWJZCT-YQFWSFKMSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000903458559 621380074 /nfs/dbraw/zinc/38/00/74/621380074.db2.gz DDWBNGPESZCCKQ-XYVMCAHJSA-N 2 0 288.435 2.599 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000903458743 621380348 /nfs/dbraw/zinc/38/03/48/621380348.db2.gz INQBOAPDWUZYJB-MXWKQRLJSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCCC(C)(F)F)CC[NH2+]CC2 ZINC000903459439 621380584 /nfs/dbraw/zinc/38/05/84/621380584.db2.gz KOZCKMYKVYADEW-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1F ZINC000903463555 621382067 /nfs/dbraw/zinc/38/20/67/621382067.db2.gz DJRPJOFLAFTFHX-DVOMOZLQSA-N 2 0 264.388 2.968 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(C)C ZINC000903446677 621384457 /nfs/dbraw/zinc/38/44/57/621384457.db2.gz ZUPYYRCEYVWXBL-ILXRZTDVSA-N 2 0 261.413 2.804 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1F ZINC000903450263 621386045 /nfs/dbraw/zinc/38/60/45/621386045.db2.gz RTJPLEHRBYLUAL-GFCCVEGCSA-N 2 0 268.351 2.834 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472426 621389843 /nfs/dbraw/zinc/38/98/43/621389843.db2.gz YPVKRYWVWKLGSZ-WBVHZDCISA-N 2 0 270.420 2.981 20 0 CFADRP CCSc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000903477318 621390759 /nfs/dbraw/zinc/39/07/59/621390759.db2.gz YFNDTJZHQRJRHK-GXTWGEPZSA-N 2 0 264.438 2.825 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)[nH]n1 ZINC000903478668 621391254 /nfs/dbraw/zinc/39/12/54/621391254.db2.gz KXHDKACBSOMLAP-KFWWJZLASA-N 2 0 290.455 2.840 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000903481693 621391811 /nfs/dbraw/zinc/39/18/11/621391811.db2.gz JZZJUZFUHZVGFU-KFWWJZLASA-N 2 0 293.480 2.833 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000903482394 621392545 /nfs/dbraw/zinc/39/25/45/621392545.db2.gz GAEQQRLSCMYBSC-LMSBXDPUSA-N 3 0 293.499 2.733 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483995 621393308 /nfs/dbraw/zinc/39/33/08/621393308.db2.gz NKBOPJKCEPIXEL-QWRGUYRKSA-N 2 0 277.239 2.835 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1CC[NH3+] ZINC000903499798 621394281 /nfs/dbraw/zinc/39/42/81/621394281.db2.gz OMXABTLURWHUQB-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP FC1(F)C[C@@]2(CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491158 621394617 /nfs/dbraw/zinc/39/46/17/621394617.db2.gz XUDVGFJHQLNBST-NWDGAFQWSA-N 2 0 294.336 2.743 20 0 CFADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000903566072 621396538 /nfs/dbraw/zinc/39/65/38/621396538.db2.gz YYPLZKOSDFUFLE-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717988 621424765 /nfs/dbraw/zinc/42/47/65/621424765.db2.gz GWTBMGLGLCIROG-HZPDHXFCSA-N 2 0 294.826 2.540 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@H]2CCCC[NH2+]C2)c1 ZINC000903719031 621425364 /nfs/dbraw/zinc/42/53/64/621425364.db2.gz UHIDMBBSYCPZCN-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722650 621427117 /nfs/dbraw/zinc/42/71/17/621427117.db2.gz CHNDHFVHMIRFRG-GOEBONIOSA-N 2 0 294.464 2.727 20 0 CFADRP CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725003 621427587 /nfs/dbraw/zinc/42/75/87/621427587.db2.gz UNNPEIJSGZLYEU-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC2(CCCCC2)CC1 ZINC000903727567 621428381 /nfs/dbraw/zinc/42/83/81/621428381.db2.gz VGFSGQAPVKCMOQ-SJLPKXTDSA-N 2 0 292.467 2.801 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000903728613 621428822 /nfs/dbraw/zinc/42/88/22/621428822.db2.gz CNZJYBNAQOEXLG-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903729067 621428973 /nfs/dbraw/zinc/42/89/73/621428973.db2.gz JJZMEDCKXKJREX-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@H](C)C[N@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731880 621429533 /nfs/dbraw/zinc/42/95/33/621429533.db2.gz DAUYVXOIWMVJCN-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903732603 621430295 /nfs/dbraw/zinc/43/02/95/621430295.db2.gz GSTWHYNGMLKSIA-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP C[N@H+](CCOc1ccc(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC000903713438 621430601 /nfs/dbraw/zinc/43/06/01/621430601.db2.gz QJZXWRWPNGHRJM-UHFFFAOYSA-N 2 0 286.778 2.542 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000903749199 621432651 /nfs/dbraw/zinc/43/26/51/621432651.db2.gz IBYURBLEVCHQJI-IRXDYDNUSA-N 2 0 287.451 2.910 20 0 CFADRP c1cncc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)c1 ZINC000903752670 621433246 /nfs/dbraw/zinc/43/32/46/621433246.db2.gz PEKXKQWSTXHZRG-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP Cc1nc2sccn2c1CN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903753349 621433381 /nfs/dbraw/zinc/43/33/81/621433381.db2.gz UCXHEWIJWGKMKJ-CYBMUJFWSA-N 2 0 292.452 2.526 20 0 CFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734642 621433869 /nfs/dbraw/zinc/43/38/69/621433869.db2.gz UICDEOHPTKVAQT-LUKYLMHMSA-N 2 0 280.456 2.656 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903734875 621433950 /nfs/dbraw/zinc/43/39/50/621433950.db2.gz WXLGTMNYBDIIRP-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000903744438 621435434 /nfs/dbraw/zinc/43/54/34/621435434.db2.gz SBWGBUDHYSJENV-USXIJHARSA-N 2 0 258.409 2.979 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000903744434 621435707 /nfs/dbraw/zinc/43/57/07/621435707.db2.gz SBWGBUDHYSJENV-BHYGNILZSA-N 2 0 258.409 2.979 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903767523 621437216 /nfs/dbraw/zinc/43/72/16/621437216.db2.gz GSSQBUVLKDVFRM-CHWSQXEVSA-N 2 0 294.361 2.547 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903766385 621437517 /nfs/dbraw/zinc/43/75/17/621437517.db2.gz PWOLVSLNMBHGCJ-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903758526 621438469 /nfs/dbraw/zinc/43/84/69/621438469.db2.gz LRMJJMSPMAHWOO-XHSDSOJGSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[N@H+](CC1CCC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903757918 621438654 /nfs/dbraw/zinc/43/86/54/621438654.db2.gz IPMPDXBCVSQODV-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000903778383 621440074 /nfs/dbraw/zinc/44/00/74/621440074.db2.gz MNNRSGREKHRSHA-DOTOQJQBSA-N 2 0 280.456 2.800 20 0 CFADRP FC1(F)C[C@@]2(CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)C1(F)F ZINC000903784230 621441333 /nfs/dbraw/zinc/44/13/33/621441333.db2.gz MAFKWCKEABGNCP-VXGBXAGGSA-N 2 0 294.336 2.743 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000903784386 621441388 /nfs/dbraw/zinc/44/13/88/621441388.db2.gz NCUSMMBBPPMLFS-AEFFLSMTSA-N 2 0 294.483 2.905 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903788059 621442467 /nfs/dbraw/zinc/44/24/67/621442467.db2.gz BEIYFPQYHVPKDC-GJZGRUSLSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817654 621443862 /nfs/dbraw/zinc/44/38/62/621443862.db2.gz CHZBRPFFJZTDAY-UHFFFAOYSA-N 2 0 288.435 2.648 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCc2ccns2)CCC1 ZINC000903810384 621446242 /nfs/dbraw/zinc/44/62/42/621446242.db2.gz BYUFVLYISMKDDP-AWEZNQCLSA-N 2 0 279.453 2.669 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810961 621447097 /nfs/dbraw/zinc/44/70/97/621447097.db2.gz IKZKKLIZLQJFTM-INIZCTEOSA-N 2 0 273.424 2.874 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)O1 ZINC000903810725 621447148 /nfs/dbraw/zinc/44/71/48/621447148.db2.gz GCASXKIFEVPDDX-KFWWJZLASA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC[C@H]2CCCO2)CCC1 ZINC000903813218 621447683 /nfs/dbraw/zinc/44/76/83/621447683.db2.gz ZETSEIFZZMROSZ-CABCVRRESA-N 2 0 266.429 2.539 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H]2CC[C@@H](C3CC3)O2)CCC1 ZINC000903812991 621447881 /nfs/dbraw/zinc/44/78/81/621447881.db2.gz WWIYGOGXKSMAFI-IKGGRYGDSA-N 2 0 292.467 2.928 20 0 CFADRP Cc1cccc(C)c1C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903826548 621450327 /nfs/dbraw/zinc/45/03/27/621450327.db2.gz LRGMPZANGOCNCE-FUHWJXTLSA-N 2 0 288.435 2.504 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903832348 621452137 /nfs/dbraw/zinc/45/21/37/621452137.db2.gz QJTZMICQJVKLGM-CYBMUJFWSA-N 2 0 267.442 2.527 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000903844006 621454972 /nfs/dbraw/zinc/45/49/72/621454972.db2.gz ZDNUKCPANRICDA-LOHUMSBYSA-N 2 0 260.356 2.625 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000903864179 621459490 /nfs/dbraw/zinc/45/94/90/621459490.db2.gz SVOOWTSTXNBUEL-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903874591 621462405 /nfs/dbraw/zinc/46/24/05/621462405.db2.gz FGXMAAMRSCELQI-ULQDDVLXSA-N 2 0 280.456 2.515 20 0 CFADRP CC[C@@H]1CCCCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894868 621465881 /nfs/dbraw/zinc/46/58/81/621465881.db2.gz GXCRHDOPLYNEOH-NVXWUHKLSA-N 2 0 292.471 2.501 20 0 CFADRP C[NH2+]Cc1ccc(NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903919343 621472910 /nfs/dbraw/zinc/47/29/10/621472910.db2.gz MRQQIPLPPBWOPE-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903920076 621472964 /nfs/dbraw/zinc/47/29/64/621472964.db2.gz HBNMDVPCNYOBFG-XYTVBORESA-N 2 0 288.435 2.883 20 0 CFADRP Fc1ccccc1CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903919226 621473100 /nfs/dbraw/zinc/47/31/00/621473100.db2.gz BKPQOQBDMAFZPH-UHFFFAOYSA-N 2 0 284.378 2.804 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922611 621473566 /nfs/dbraw/zinc/47/35/66/621473566.db2.gz APBHTOVWNHPHCJ-PHTAMDTFSA-N 2 0 294.826 2.969 20 0 CFADRP CCCC[C@H](CCC)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903923401 621474300 /nfs/dbraw/zinc/47/43/00/621474300.db2.gz SVAACYAQPAHDIW-GJZGRUSLSA-N 2 0 293.459 2.651 20 0 CFADRP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(O)c1 ZINC000903925890 621475377 /nfs/dbraw/zinc/47/53/77/621475377.db2.gz ISTTWHMNEOFTHL-IKKMQULASA-N 2 0 260.381 2.573 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC(C)(C)[NH3+])c1C ZINC000903939392 621475435 /nfs/dbraw/zinc/47/54/35/621475435.db2.gz ZEDGDRQFPUKESZ-ZDUSSCGKSA-N 2 0 291.439 2.738 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932657 621476725 /nfs/dbraw/zinc/47/67/25/621476725.db2.gz UYOIEUCFBYDHFV-DKUMPPAJSA-N 2 0 268.445 2.558 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CNCCC(C)(C)[NH3+] ZINC000903939348 621478170 /nfs/dbraw/zinc/47/81/70/621478170.db2.gz XKXHBJSTDLGZFP-UHFFFAOYSA-N 2 0 291.483 2.862 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000903959726 621480337 /nfs/dbraw/zinc/48/03/37/621480337.db2.gz NAPWVWXNMNSOTG-SFHVURJKSA-N 2 0 286.419 2.587 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000903939600 621481459 /nfs/dbraw/zinc/48/14/59/621481459.db2.gz JXWFHNCGULNAIF-UHFFFAOYSA-N 2 0 284.407 2.548 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000903947823 621485830 /nfs/dbraw/zinc/48/58/30/621485830.db2.gz IQHXTLPCZTXFEV-IAGOWNOFSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3cc(F)c(F)cc3C2)CC[NH2+]1 ZINC000903948148 621485871 /nfs/dbraw/zinc/48/58/71/621485871.db2.gz LRGYIHABUDPFHM-VXGBXAGGSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000903948345 621485944 /nfs/dbraw/zinc/48/59/44/621485944.db2.gz OAPDXAKUBZWLSC-NUJGCVRESA-N 2 0 294.483 2.903 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000903955738 621490133 /nfs/dbraw/zinc/49/01/33/621490133.db2.gz AVPQXNGUUSVCQE-GFCCVEGCSA-N 2 0 260.372 2.934 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955749 621490445 /nfs/dbraw/zinc/49/04/45/621490445.db2.gz AXEWQHDYCIPZMU-ZJUUUORDSA-N 2 0 288.304 2.942 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCCCCCC1 ZINC000903955739 621490546 /nfs/dbraw/zinc/49/05/46/621490546.db2.gz AVPQXNGUUSVCQE-LBPRGKRZSA-N 2 0 260.372 2.934 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CNCC3(CCOCC3)C2)C1 ZINC000903971481 621491817 /nfs/dbraw/zinc/49/18/17/621491817.db2.gz BXMUZWZJOFELRE-IKGGRYGDSA-N 2 0 294.483 2.951 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000903973884 621492350 /nfs/dbraw/zinc/49/23/50/621492350.db2.gz HUUXVBZBFPQOLL-ZYHUDNBSSA-N 2 0 270.779 2.814 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975133 621492942 /nfs/dbraw/zinc/49/29/42/621492942.db2.gz XWCAMLOCZOUCMJ-IUODEOHRSA-N 2 0 292.471 2.590 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903977103 621493595 /nfs/dbraw/zinc/49/35/95/621493595.db2.gz IZAOCJWCUXNJJN-GDBMZVCRSA-N 2 0 298.434 2.802 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)CC3 ZINC000903964826 621495913 /nfs/dbraw/zinc/49/59/13/621495913.db2.gz WOPIPOJHTUEZSS-SNUQEOBHSA-N 2 0 283.419 2.531 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903966749 621496469 /nfs/dbraw/zinc/49/64/69/621496469.db2.gz BBXZHFGABUDNMT-INMHGKMJSA-N 2 0 260.425 2.761 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000903987324 621499565 /nfs/dbraw/zinc/49/95/65/621499565.db2.gz ZPVBMBQAVPLXFS-VYMRPNJYSA-N 3 0 293.499 2.761 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904305829 621569712 /nfs/dbraw/zinc/56/97/12/621569712.db2.gz UOYOZJODNYJKTM-MRXNPFEDSA-N 2 0 280.387 2.526 20 0 CFADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307949 621570063 /nfs/dbraw/zinc/57/00/63/621570063.db2.gz HWQKFGXDFNCDPN-XBXGTLAGSA-N 2 0 252.789 2.899 20 0 CFADRP CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308759 621570067 /nfs/dbraw/zinc/57/00/67/621570067.db2.gz WFIGJOJUQOOLKF-OTVXOJSOSA-N 2 0 250.361 2.773 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000904311576 621571083 /nfs/dbraw/zinc/57/10/83/621571083.db2.gz FIOZWFYDWCCZER-IMJJTQAJSA-N 2 0 262.372 2.570 20 0 CFADRP Cc1ccc(OC2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904309918 621571196 /nfs/dbraw/zinc/57/11/96/621571196.db2.gz SZQBAAZVNUHVLL-GASCZTMLSA-N 2 0 274.408 2.576 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000904313845 621571777 /nfs/dbraw/zinc/57/17/77/621571777.db2.gz LNJNSTWLJJFZGM-HZPDHXFCSA-N 2 0 281.488 2.700 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)C1 ZINC000904313723 621571885 /nfs/dbraw/zinc/57/18/85/621571885.db2.gz YRPNHJJEIXJHBO-HACGYAERSA-N 2 0 256.393 2.876 20 0 CFADRP COc1ccc(CC2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904316312 621572342 /nfs/dbraw/zinc/57/23/42/621572342.db2.gz LGDVMWQHXXJWTJ-CALCHBBNSA-N 2 0 288.435 2.687 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000904320478 621573699 /nfs/dbraw/zinc/57/36/99/621573699.db2.gz ITYPKIGYCMUAAK-CORIIIEPSA-N 2 0 264.800 2.867 20 0 CFADRP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322730 621574258 /nfs/dbraw/zinc/57/42/58/621574258.db2.gz ISQWOTWLWHWQNZ-LMRQPLJMSA-N 2 0 262.372 2.741 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325176 621575560 /nfs/dbraw/zinc/57/55/60/621575560.db2.gz RXASNVSVOGQADX-HOTGVXAUSA-N 2 0 283.504 2.804 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325175 621575689 /nfs/dbraw/zinc/57/56/89/621575689.db2.gz RXASNVSVOGQADX-CVEARBPZSA-N 2 0 283.504 2.804 20 0 CFADRP CC(C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000904329677 621576620 /nfs/dbraw/zinc/57/66/20/621576620.db2.gz QEPSJRMFXKACHF-JGZJWPJOSA-N 2 0 254.324 2.527 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)CCC[NH2+]C1 ZINC000904330783 621577073 /nfs/dbraw/zinc/57/70/73/621577073.db2.gz CHJITXJIVQYZOA-SJLPKXTDSA-N 2 0 288.435 2.777 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1C ZINC000904340913 621577841 /nfs/dbraw/zinc/57/78/41/621577841.db2.gz NUIXNXAPOBIHRN-PMPSAXMXSA-N 2 0 283.504 2.945 20 0 CFADRP Cc1ccc([C@H]2C[C@H](C)[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904344941 621579112 /nfs/dbraw/zinc/57/91/12/621579112.db2.gz BMGBMUOURJEJKV-NXNVCVFFSA-N 2 0 258.409 2.910 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CNC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904353209 621581030 /nfs/dbraw/zinc/58/10/30/621581030.db2.gz IRAXDPPRKCUGSL-MSOLQXFVSA-N 2 0 289.467 2.789 20 0 CFADRP Fc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1C(F)F ZINC000904353609 621581250 /nfs/dbraw/zinc/58/12/50/621581250.db2.gz OLXFMACKGNECQN-SNVBAGLBSA-N 2 0 272.314 2.853 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCOc2cccc3ccccc32)C1 ZINC000904360916 621582977 /nfs/dbraw/zinc/58/29/77/621582977.db2.gz RZGHMCKEKUEEAZ-OTVXOJSOSA-N 2 0 270.376 2.546 20 0 CFADRP CCOCCC1(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CCCC1 ZINC000904361248 621583159 /nfs/dbraw/zinc/58/31/59/621583159.db2.gz ZGMIGEHQVFNEPT-INIZCTEOSA-N 2 0 282.472 2.953 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904362256 621583704 /nfs/dbraw/zinc/58/37/04/621583704.db2.gz KSIWNMJFOIDITL-KRWDZBQOSA-N 2 0 276.424 2.607 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CCc1cn2ccccc2n1 ZINC000904367449 621583986 /nfs/dbraw/zinc/58/39/86/621583986.db2.gz AXIVFSYHDGECBU-AWEZNQCLSA-N 2 0 288.439 2.620 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CC1(CCO)CCCC1 ZINC000904364267 621585328 /nfs/dbraw/zinc/58/53/28/621585328.db2.gz KMJNGGBKXFGENJ-CQSZACIVSA-N 2 0 270.461 2.672 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904362933 621585502 /nfs/dbraw/zinc/58/55/02/621585502.db2.gz VETSDQFDWRNXRH-MCIONIFRSA-N 2 0 294.464 2.750 20 0 CFADRP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406696 621590864 /nfs/dbraw/zinc/59/08/64/621590864.db2.gz UPBLMXMSHXTTDB-AWEZNQCLSA-N 2 0 286.423 2.617 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1C[NH3+] ZINC000904409597 621591055 /nfs/dbraw/zinc/59/10/55/621591055.db2.gz DECIFWATYCONMW-DZGCQCFKSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@@H]1C[NH3+] ZINC000904409870 621591206 /nfs/dbraw/zinc/59/12/06/621591206.db2.gz AFANDPCLGLCBCO-WCQYABFASA-N 2 0 279.453 2.827 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904410473 621591579 /nfs/dbraw/zinc/59/15/79/621591579.db2.gz FUBXJYGDXGBSTR-NEPJUHHUSA-N 2 0 267.442 2.683 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1C[NH3+] ZINC000904410914 621592039 /nfs/dbraw/zinc/59/20/39/621592039.db2.gz RQEKIXPQRAYLKK-VXGBXAGGSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)CC[C@@H]1C[NH3+] ZINC000904411489 621592464 /nfs/dbraw/zinc/59/24/64/621592464.db2.gz KZAPDONNXGQATN-GOEBONIOSA-N 2 0 288.435 2.892 20 0 CFADRP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411726 621592549 /nfs/dbraw/zinc/59/25/49/621592549.db2.gz XGJHKUPVLQYUHD-CVEARBPZSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1C[NH3+] ZINC000904411740 621592617 /nfs/dbraw/zinc/59/26/17/621592617.db2.gz XVYFUAFSZSNOTF-HJWJTTGWSA-N 2 0 258.409 2.707 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)oc21 ZINC000904411914 621592621 /nfs/dbraw/zinc/59/26/21/621592621.db2.gz PXBDMRJSTKBLMJ-TZMCWYRMSA-N 2 0 288.391 2.858 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1C[NH3+] ZINC000904411616 621592694 /nfs/dbraw/zinc/59/26/94/621592694.db2.gz ODUUYMFHDBOWMW-UONOGXRCSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@H]1C[NH3+] ZINC000904412702 621593140 /nfs/dbraw/zinc/59/31/40/621593140.db2.gz XZJGNJSGZAMGDZ-ZFWWWQNUSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cscc2Cl)CC[C@@H]1C[NH3+] ZINC000904412746 621593363 /nfs/dbraw/zinc/59/33/63/621593363.db2.gz YLRDSUQJFYGXRJ-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412853 621593514 /nfs/dbraw/zinc/59/35/14/621593514.db2.gz XVPDSMYZRSMUDZ-HOCLYGCPSA-N 2 0 276.424 2.892 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420970 621596517 /nfs/dbraw/zinc/59/65/17/621596517.db2.gz ZVGSYUNPDCFBQH-UONOGXRCSA-N 2 0 270.376 2.783 20 0 CFADRP C[C@H](C[NH2+]CC1([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000904445513 621599306 /nfs/dbraw/zinc/59/93/06/621599306.db2.gz WIMHBMYKILOXMI-SNVBAGLBSA-N 2 0 272.314 2.890 20 0 CFADRP C[C@@H](C[NH2+]CC1([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000904445512 621599537 /nfs/dbraw/zinc/59/95/37/621599537.db2.gz WIMHBMYKILOXMI-JTQLQIEISA-N 2 0 272.314 2.890 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC(C(C)(C)C[NH3+])CC2)CCO1 ZINC000904445119 621599718 /nfs/dbraw/zinc/59/97/18/621599718.db2.gz WBPUEMIGPOHEOC-HOCLYGCPSA-N 2 0 282.472 2.889 20 0 CFADRP CC(C)([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000904476892 621601647 /nfs/dbraw/zinc/60/16/47/621601647.db2.gz SOWYEWRFCQJJSZ-DVOMOZLQSA-N 2 0 273.424 2.680 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904477390 621601943 /nfs/dbraw/zinc/60/19/43/621601943.db2.gz VHMDMVPREHDYHV-IUODEOHRSA-N 2 0 261.413 2.823 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000905209638 621723901 /nfs/dbraw/zinc/72/39/01/621723901.db2.gz RCQIBUANYBWMAU-SJLPKXTDSA-N 2 0 290.451 2.883 20 0 CFADRP c1cc([C@H]2CCC[NH2+]2)ccc1OCCC1CC[NH2+]CC1 ZINC000905616054 621805612 /nfs/dbraw/zinc/80/56/12/621805612.db2.gz BPGNWWRFEGBVNO-QGZVFWFLSA-N 2 0 274.408 2.880 20 0 CFADRP C[NH2+]Cc1ncc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)cn1 ZINC000906157719 621935743 /nfs/dbraw/zinc/93/57/43/621935743.db2.gz JGRXICGSXXWZAV-AWEZNQCLSA-N 2 0 296.418 2.847 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000906508333 621995078 /nfs/dbraw/zinc/99/50/78/621995078.db2.gz NGESJNDTQRCTCY-HDJSIYSDSA-N 2 0 258.390 2.994 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000906511221 621995707 /nfs/dbraw/zinc/99/57/07/621995707.db2.gz ZEVQJJPADDRLGZ-UHFFFAOYSA-N 2 0 276.327 2.878 20 0 CFADRP CCCC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000906527182 621997636 /nfs/dbraw/zinc/99/76/36/621997636.db2.gz MXXLNGXPGWOFHY-UHFFFAOYSA-N 2 0 276.424 2.533 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911848202 622563367 /nfs/dbraw/zinc/56/33/67/622563367.db2.gz WBELXMIYIUANNA-IUODEOHRSA-N 2 0 275.396 2.518 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924844948 622674145 /nfs/dbraw/zinc/67/41/45/622674145.db2.gz CKVONDMTBVWGLD-ZWKOTPCHSA-N 2 0 293.499 2.857 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000820805854 622761053 /nfs/dbraw/zinc/76/10/53/622761053.db2.gz SRVLOGOJPCGDET-DOTOQJQBSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@H](COC)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811512 622763123 /nfs/dbraw/zinc/76/31/23/622763123.db2.gz RIQLCQJGLYDRSN-CZUORRHYSA-N 2 0 264.413 2.824 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCS1 ZINC000820812446 622763683 /nfs/dbraw/zinc/76/36/83/622763683.db2.gz LGPCLMJBELCVNN-FBAPMCOASA-N 2 0 266.454 2.629 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(C)(C)SC)C1 ZINC000820869169 622769889 /nfs/dbraw/zinc/76/98/89/622769889.db2.gz SSAFSTNYHYUIRR-CYBMUJFWSA-N 2 0 258.475 2.792 20 0 CFADRP Cc1c(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cnn1C ZINC000820830532 622770190 /nfs/dbraw/zinc/77/01/90/622770190.db2.gz VOUDWGMUVHEUKK-CYBMUJFWSA-N 2 0 286.423 2.641 20 0 CFADRP Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820842996 622773162 /nfs/dbraw/zinc/77/31/62/622773162.db2.gz ZZBIVWLWOPNCAI-LBPRGKRZSA-N 2 0 272.396 2.631 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924851772 622791609 /nfs/dbraw/zinc/79/16/09/622791609.db2.gz GLKNGQPPZZAVNS-CABCVRRESA-N 3 0 277.456 2.739 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165075426 622980682 /nfs/dbraw/zinc/98/06/82/622980682.db2.gz JTLZEKJCSPETKL-HIFRSBDPSA-N 2 0 269.392 2.794 20 0 CFADRP COc1cccc(C[N@H+](C)C2CCC([NH3+])CC2)c1F ZINC000165738638 622996147 /nfs/dbraw/zinc/99/61/47/622996147.db2.gz LKSNFAYZXIFRKP-UHFFFAOYSA-N 2 0 266.360 2.536 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000822691403 623152914 /nfs/dbraw/zinc/15/29/14/623152914.db2.gz JBPQAKFDLJWJFH-AGIUHOORSA-N 2 0 291.266 2.986 20 0 CFADRP CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCC1 ZINC000230321551 623271429 /nfs/dbraw/zinc/27/14/29/623271429.db2.gz VTIVKWCSOUARMX-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@]1(C[N@@H+]2CCSC(C)(C)CC2)CCC[NH2+]C1 ZINC000231052607 623321158 /nfs/dbraw/zinc/32/11/58/623321158.db2.gz LXPKPFBIIRYJNP-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP c1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063200064 623332879 /nfs/dbraw/zinc/33/28/79/623332879.db2.gz KTAQAEQLHBBIHF-QGZVFWFLSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCSC(F)(F)F)c2ccccc21 ZINC000231939869 623376258 /nfs/dbraw/zinc/37/62/58/623376258.db2.gz DFFATMGBQHAHCF-QWRGUYRKSA-N 2 0 276.327 2.974 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](C)O1 ZINC000823966557 623427466 /nfs/dbraw/zinc/42/74/66/623427466.db2.gz UHAATVRSTXDDIN-CWHQUEMWSA-N 2 0 280.456 2.939 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC(OCC2CC2)CC1 ZINC000842472738 623475141 /nfs/dbraw/zinc/47/51/41/623475141.db2.gz JORZFUOLYDFVCG-UHFFFAOYSA-N 2 0 268.445 2.787 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089144599 623571993 /nfs/dbraw/zinc/57/19/93/623571993.db2.gz MXMAFYRLKYNLHR-HOCLYGCPSA-N 2 0 262.397 2.692 20 0 CFADRP CCN1CCC([N@H+](C)C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929778036 623664244 /nfs/dbraw/zinc/66/42/44/623664244.db2.gz GSJJFUWYHZVIPL-MRXNPFEDSA-N 2 0 280.456 2.894 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000826868310 623899197 /nfs/dbraw/zinc/89/91/97/623899197.db2.gz QHPWGZAUCFYIHU-INIZCTEOSA-N 2 0 275.440 2.785 20 0 CFADRP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCCCCC2)nc(N)[nH+]1 ZINC000914571994 623899902 /nfs/dbraw/zinc/89/99/02/623899902.db2.gz BELSKHLDEPWHDF-AWEZNQCLSA-N 2 0 291.443 2.680 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000929842414 623917990 /nfs/dbraw/zinc/91/79/90/623917990.db2.gz CUVMUKHFFLKCEB-IRXDYDNUSA-N 2 0 288.435 2.920 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC4(CCC4)O3)CC[C@H]21 ZINC000929847193 623935428 /nfs/dbraw/zinc/93/54/28/623935428.db2.gz LVBWJLLKNFSHMW-BRWVUGGUSA-N 2 0 292.467 2.894 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCC[C@@H]3CCOC3)C2)CC1 ZINC000828457843 624250062 /nfs/dbraw/zinc/25/00/62/624250062.db2.gz XXTPIQWLKWJZTA-MRXNPFEDSA-N 2 0 280.456 2.611 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925481714 624755516 /nfs/dbraw/zinc/75/55/16/624755516.db2.gz JWOLQOVBIQACET-IIAWOOMASA-N 2 0 276.424 2.524 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000921470690 624882779 /nfs/dbraw/zinc/88/27/79/624882779.db2.gz JXFQKIQLDXCLOT-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@H]1[NH3+] ZINC000252857614 625215438 /nfs/dbraw/zinc/21/54/38/625215438.db2.gz LKHUMKFYNQVALC-CXAGYDPISA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc4ccccc34)C[C@@H]21 ZINC000230126302 626101520 /nfs/dbraw/zinc/10/15/20/626101520.db2.gz BDIKPDOCHHLHID-UHOFOFEASA-N 2 0 270.376 2.992 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000230286810 626102102 /nfs/dbraw/zinc/10/21/02/626102102.db2.gz SHRJHKZNRLCXTG-DLBZAZTESA-N 2 0 282.387 2.972 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921783555 626120991 /nfs/dbraw/zinc/12/09/91/626120991.db2.gz FIEHDBVPOGWBCK-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921784739 626122169 /nfs/dbraw/zinc/12/21/69/626122169.db2.gz TXJVDMRMKHDQHH-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)[C@@H](C)C1 ZINC000921795325 626125939 /nfs/dbraw/zinc/12/59/39/626125939.db2.gz VLRFXSARZGPNOR-ZQIUZPCESA-N 2 0 288.435 2.830 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921920502 626178714 /nfs/dbraw/zinc/17/87/14/626178714.db2.gz PRZBBUPOGCTKIK-UHFFFAOYSA-N 2 0 290.455 2.818 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)c1 ZINC000921978216 626189687 /nfs/dbraw/zinc/18/96/87/626189687.db2.gz AFLJRUSSXHZLOP-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922013915 626196248 /nfs/dbraw/zinc/19/62/48/626196248.db2.gz LLCLOYSJVCYCDF-UHFFFAOYSA-N 2 0 291.439 2.922 20 0 CFADRP C([NH2+][C@H]1CC[C@H]2COCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000922069863 626203299 /nfs/dbraw/zinc/20/32/99/626203299.db2.gz RMAUTPOYDXIUOE-IKGGRYGDSA-N 2 0 292.467 2.656 20 0 CFADRP c1nn(C2CCC2)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000922147419 626217512 /nfs/dbraw/zinc/21/75/12/626217512.db2.gz WECTXRNFANQPPZ-UHFFFAOYSA-N 2 0 290.455 2.964 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1)C1CC1 ZINC000922172535 626229654 /nfs/dbraw/zinc/22/96/54/626229654.db2.gz UKHLQIOIJFRPTQ-UHFFFAOYSA-N 2 0 296.846 2.905 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]CCCC[N@H+](C)C3CC3)ccc2O1 ZINC000922171192 626230138 /nfs/dbraw/zinc/23/01/38/626230138.db2.gz IYQKVEHRVBCLKK-CQSZACIVSA-N 2 0 288.435 2.974 20 0 CFADRP Cc1cnc(Cl)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000922181490 626232854 /nfs/dbraw/zinc/23/28/54/626232854.db2.gz SCBDRPPLCUBPKA-ZDUSSCGKSA-N 2 0 281.831 2.865 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000922222985 626244372 /nfs/dbraw/zinc/24/43/72/626244372.db2.gz GBMXCBUWCZYBLB-IGQOVBAYSA-N 2 0 256.459 2.590 20 0 CFADRP CCCc1ccc(CNC[C@@H](C[NH+](C)C)OCC)s1 ZINC000922756620 626359138 /nfs/dbraw/zinc/35/91/38/626359138.db2.gz QQUGXVYTPUMUFW-ZDUSSCGKSA-N 2 0 284.469 2.757 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000922771901 626362314 /nfs/dbraw/zinc/36/23/14/626362314.db2.gz RQEHNKWCEJFNBC-HOTGVXAUSA-N 2 0 299.418 2.895 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)O1 ZINC000922844344 626378601 /nfs/dbraw/zinc/37/86/01/626378601.db2.gz COQIOBMICWPUPX-QTJAEWGCSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922844243 626378606 /nfs/dbraw/zinc/37/86/06/626378606.db2.gz ADPAYXURUKCUSU-UIDBIOKJSA-N 2 0 266.429 2.551 20 0 CFADRP Cn1ncc(Cl)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922845831 626379371 /nfs/dbraw/zinc/37/93/71/626379371.db2.gz UHHOJHKMCUGAGU-UHFFFAOYSA-N 2 0 296.846 2.570 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1(C)C ZINC000922846840 626379862 /nfs/dbraw/zinc/37/98/62/626379862.db2.gz QHEAIQDCEOQMSD-UPTPFMHGSA-N 3 0 293.499 2.856 20 0 CFADRP Cc1nn(C)c(C)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848099 626379880 /nfs/dbraw/zinc/37/98/80/626379880.db2.gz NCTBZCAEMAUMGA-UHFFFAOYSA-N 2 0 290.455 2.534 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc3ccccn23)CC1 ZINC000922848092 626380151 /nfs/dbraw/zinc/38/01/51/626380151.db2.gz MSMGMFNBEORYMQ-UHFFFAOYSA-N 2 0 298.434 2.831 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000922845352 626380636 /nfs/dbraw/zinc/38/06/36/626380636.db2.gz OQVZJZSGUSZQSM-QLOLRVAOSA-N 3 0 291.483 2.610 20 0 CFADRP CC(C)[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(C)c1 ZINC000922890371 626394112 /nfs/dbraw/zinc/39/41/12/626394112.db2.gz MBPTWHWPRXYKCH-GJZGRUSLSA-N 2 0 278.444 2.580 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922951116 626431689 /nfs/dbraw/zinc/43/16/89/626431689.db2.gz SVJCHTLYWVYWRY-GINYUPMKSA-N 2 0 286.419 2.543 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951119 626431765 /nfs/dbraw/zinc/43/17/65/626431765.db2.gz SVJCHTLYWVYWRY-WEBJUUICSA-N 2 0 286.419 2.543 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1cccc(F)c1 ZINC000923298515 626464069 /nfs/dbraw/zinc/46/40/69/626464069.db2.gz UZRIIWBYDJBCAP-HNNXBMFYSA-N 2 0 252.377 2.673 20 0 CFADRP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923300894 626464390 /nfs/dbraw/zinc/46/43/90/626464390.db2.gz LVKANLROYLBQLB-IRXDYDNUSA-N 2 0 286.419 2.510 20 0 CFADRP CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923313239 626464708 /nfs/dbraw/zinc/46/47/08/626464708.db2.gz QTQSHZNTAZGDMH-IRXDYDNUSA-N 2 0 288.435 2.694 20 0 CFADRP CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923313240 626464778 /nfs/dbraw/zinc/46/47/78/626464778.db2.gz QTQSHZNTAZGDMH-SJORKVTESA-N 2 0 288.435 2.694 20 0 CFADRP CCC[N@H+](CCC[NH2+]C1CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000923313653 626465124 /nfs/dbraw/zinc/46/51/24/626465124.db2.gz IWRODRCTODDYPH-OAGGEKHMSA-N 2 0 280.456 2.654 20 0 CFADRP CN(CCC[NH2+]C1CC1)Cc1ccccc1N1CCCC1 ZINC000923319200 626465592 /nfs/dbraw/zinc/46/55/92/626465592.db2.gz MMDBKTIGHMQYJF-UHFFFAOYSA-N 2 0 287.451 2.861 20 0 CFADRP CCCCCC[C@H](O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000923326081 626466783 /nfs/dbraw/zinc/46/67/83/626466783.db2.gz FBPOHNFMVPULSD-INIZCTEOSA-N 2 0 270.461 2.782 20 0 CFADRP [NH3+]CCC[N@H+](C[C@@H](O)c1ccccc1)CC1CCCC1 ZINC000923354731 626468662 /nfs/dbraw/zinc/46/86/62/626468662.db2.gz VQDACBWGZSVJAL-QGZVFWFLSA-N 2 0 276.424 2.561 20 0 CFADRP Cc1ccccc1[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923375817 626469311 /nfs/dbraw/zinc/46/93/11/626469311.db2.gz FZNBWEJQVWZLCG-NVXWUHKLSA-N 2 0 288.435 2.660 20 0 CFADRP c1cncc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000923383504 626469772 /nfs/dbraw/zinc/46/97/72/626469772.db2.gz IVXCZJADYCVJQP-QDZFIJTISA-N 2 0 285.435 2.792 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923383628 626469858 /nfs/dbraw/zinc/46/98/58/626469858.db2.gz LBOIARXGSUFWIG-GPQQEZGISA-N 2 0 292.467 2.798 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923389003 626470475 /nfs/dbraw/zinc/47/04/75/626470475.db2.gz QVQCLEJPZMSKBS-OAHLLOKOSA-N 2 0 291.439 2.757 20 0 CFADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000923396244 626470522 /nfs/dbraw/zinc/47/05/22/626470522.db2.gz XAMDBYWEQVNSAK-IAGOWNOFSA-N 2 0 292.467 2.657 20 0 CFADRP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000923416741 626470965 /nfs/dbraw/zinc/47/09/65/626470965.db2.gz YPJZIZDZULRJEG-INIZCTEOSA-N 2 0 266.429 2.552 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000923480069 626475817 /nfs/dbraw/zinc/47/58/17/626475817.db2.gz UYMQEIBMTHMDIK-PVAVHDDUSA-N 2 0 274.408 2.577 20 0 CFADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cs2)o1 ZINC000923481341 626475836 /nfs/dbraw/zinc/47/58/36/626475836.db2.gz QIDGNSKQZHCCDS-GFCCVEGCSA-N 2 0 291.420 2.882 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000923479134 626475927 /nfs/dbraw/zinc/47/59/27/626475927.db2.gz MBDCRCZGKWKDTC-HOCLYGCPSA-N 2 0 258.409 2.777 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000923480052 626475932 /nfs/dbraw/zinc/47/59/32/626475932.db2.gz UNTSBRUIWIDSTP-GFCCVEGCSA-N 2 0 289.354 2.651 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000923483743 626476258 /nfs/dbraw/zinc/47/62/58/626476258.db2.gz QSXNJWJJCJPBMM-LBPRGKRZSA-N 2 0 289.354 2.651 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000923483960 626476265 /nfs/dbraw/zinc/47/62/65/626476265.db2.gz ULJOQMIEBGFYSU-LLVKDONJSA-N 2 0 294.349 2.602 20 0 CFADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923482641 626476312 /nfs/dbraw/zinc/47/63/12/626476312.db2.gz GUPQALUWOGMDJU-GFCCVEGCSA-N 2 0 291.420 2.882 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000923481971 626476315 /nfs/dbraw/zinc/47/63/15/626476315.db2.gz BELJOOJONKPEMQ-LLVKDONJSA-N 2 0 277.393 2.574 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923484784 626476349 /nfs/dbraw/zinc/47/63/49/626476349.db2.gz MVZACLTUTLNXGU-LBPRGKRZSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@H]1C[NH3+] ZINC000923489813 626476529 /nfs/dbraw/zinc/47/65/29/626476529.db2.gz LJMWFSMNTZXNDA-RYUDHWBXSA-N 2 0 275.421 2.713 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496029 626476580 /nfs/dbraw/zinc/47/65/80/626476580.db2.gz YXVHDJSNJGLXGX-RYUDHWBXSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@H]1C[NH3+] ZINC000923491485 626476708 /nfs/dbraw/zinc/47/67/08/626476708.db2.gz SMPFHIRZMCDNSY-RHSMWYFYSA-N 2 0 296.418 2.560 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923492717 626476757 /nfs/dbraw/zinc/47/67/57/626476757.db2.gz ZBAAUKLHLOEZOS-GHMZBOCLSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000923494937 626476860 /nfs/dbraw/zinc/47/68/60/626476860.db2.gz QTTPTZBJRVLRJA-CHWSQXEVSA-N 2 0 282.428 2.835 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923496811 626477151 /nfs/dbraw/zinc/47/71/51/626477151.db2.gz JORWSJJFONVMCR-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923497098 626477204 /nfs/dbraw/zinc/47/72/04/626477204.db2.gz DQSWUSVNLYKEAL-UNEWFSDZSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498399 626477247 /nfs/dbraw/zinc/47/72/47/626477247.db2.gz HSFOZIDWGIAOFQ-JHJVBQTASA-N 2 0 279.428 2.950 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@H]1C[NH3+] ZINC000923498782 626477260 /nfs/dbraw/zinc/47/72/60/626477260.db2.gz PWARSHZBGOVTCB-PVXIVEMSSA-N 2 0 262.372 2.730 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923496862 626477267 /nfs/dbraw/zinc/47/72/67/626477267.db2.gz JXRILILNQNZKFW-ZIAGYGMSSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@H]1C[NH3+] ZINC000923499318 626477272 /nfs/dbraw/zinc/47/72/72/626477272.db2.gz MSMGSSUHPKAPDK-RYUDHWBXSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@H]1C[NH3+] ZINC000923499854 626477362 /nfs/dbraw/zinc/47/73/62/626477362.db2.gz UUWHMBJBHNDLJI-HIFRSBDPSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)CC[C@H]1C[NH3+] ZINC000923499696 626477430 /nfs/dbraw/zinc/47/74/30/626477430.db2.gz LJKYPGCWGKUBLX-RYUDHWBXSA-N 2 0 291.420 2.820 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC000923499788 626477448 /nfs/dbraw/zinc/47/74/48/626477448.db2.gz UEXUEOPRCDYWPB-NWDGAFQWSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923504681 626477600 /nfs/dbraw/zinc/47/76/00/626477600.db2.gz SSORRFUDRZQPEF-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP C[C@H]1C[N@H+](CCOC2CCCCCC2)CC[C@@H]1C[NH3+] ZINC000923500827 626477658 /nfs/dbraw/zinc/47/76/58/626477658.db2.gz YINTUTBZQNXLOB-LSDHHAIUSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1CC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506867 626477851 /nfs/dbraw/zinc/47/78/51/626477851.db2.gz MNVYFKHQZDUJBY-HLLBOEOZSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519976 626478333 /nfs/dbraw/zinc/47/83/33/626478333.db2.gz XVSPGELOHWYLRG-KWCYVHTRSA-N 2 0 296.361 2.890 20 0 CFADRP C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518496 626478490 /nfs/dbraw/zinc/47/84/90/626478490.db2.gz LMJYWOHCXJSHLF-RWMBFGLXSA-N 2 0 264.800 2.942 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C(C)(C)O1 ZINC000923529875 626478530 /nfs/dbraw/zinc/47/85/30/626478530.db2.gz CNIKGNVCLAXHMG-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C(C)(C)O1 ZINC000923529876 626478568 /nfs/dbraw/zinc/47/85/68/626478568.db2.gz CNIKGNVCLAXHMG-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP C(=C\[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525345 626478581 /nfs/dbraw/zinc/47/85/81/626478581.db2.gz FUAFWTINFKVXSH-JIPXFFRKSA-N 2 0 256.393 2.774 20 0 CFADRP C(CCN1CC[C@@]2(C1)CCCC[NH2+]2)CC1CCOCC1 ZINC000923533931 626479042 /nfs/dbraw/zinc/47/90/42/626479042.db2.gz OOVLXNDDVADXTA-QGZVFWFLSA-N 2 0 280.456 2.801 20 0 CFADRP [NH3+]CCCCCCCN1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000923543560 626479453 /nfs/dbraw/zinc/47/94/53/626479453.db2.gz MKLNPTOAWBOMBL-INIZCTEOSA-N 2 0 289.467 2.923 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000923549837 626479599 /nfs/dbraw/zinc/47/95/99/626479599.db2.gz QJLRJDSVXRJHKS-DOTOQJQBSA-N 2 0 280.456 2.515 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000838980766 626518346 /nfs/dbraw/zinc/51/83/46/626518346.db2.gz STFJASVINLMOKD-UHFFFAOYSA-N 2 0 298.471 2.676 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000763408836 626986454 /nfs/dbraw/zinc/98/64/54/626986454.db2.gz FXFZVBLPCTZVKZ-RKVPGOIHSA-N 2 0 290.451 2.819 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000765332314 627131234 /nfs/dbraw/zinc/13/12/34/627131234.db2.gz IROGXMLWRCDNKQ-LSDHHAIUSA-N 2 0 288.435 2.558 20 0 CFADRP COc1ccc2c(N[C@@H](C)CC[NH+](C)C)cc[nH+]c2c1 ZINC000765489732 627142081 /nfs/dbraw/zinc/14/20/81/627142081.db2.gz QCELGRFZAZZEFQ-LBPRGKRZSA-N 2 0 273.380 2.996 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000765805405 627158796 /nfs/dbraw/zinc/15/87/96/627158796.db2.gz BCFHRNRKSAEMJP-BZUAXINKSA-N 2 0 282.472 2.900 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000765849043 627160666 /nfs/dbraw/zinc/16/06/66/627160666.db2.gz MJBYSPYNTBDQIY-GDBMZVCRSA-N 2 0 275.440 2.715 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000765907259 627162565 /nfs/dbraw/zinc/16/25/65/627162565.db2.gz ULRRMOJVRDHHFA-HNNXBMFYSA-N 2 0 258.409 2.790 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000765968293 627168337 /nfs/dbraw/zinc/16/83/37/627168337.db2.gz DQQWIIRYFHPASV-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CCN1C ZINC000766511182 627206552 /nfs/dbraw/zinc/20/65/52/627206552.db2.gz MFSZCCQGTXHHGQ-ZLZJIPBDSA-N 3 0 293.499 2.856 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000766534145 627208450 /nfs/dbraw/zinc/20/84/50/627208450.db2.gz HEUANKMZGIKLOX-FUHWJXTLSA-N 2 0 290.451 2.929 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCCCCCO)CC1 ZINC000767004807 627231042 /nfs/dbraw/zinc/23/10/42/627231042.db2.gz UGRPKWRERMHJDL-UHFFFAOYSA-N 2 0 270.461 2.593 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767349771 627244135 /nfs/dbraw/zinc/24/41/35/627244135.db2.gz YBAHDHKXNUVFPM-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP COC(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)OC ZINC000851865230 634562215 /nfs/dbraw/zinc/56/22/15/634562215.db2.gz TWRQEIDZOXMVSU-UHFFFAOYSA-N 2 0 298.471 2.583 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccco2)cc1 ZINC000768184666 627323745 /nfs/dbraw/zinc/32/37/45/627323745.db2.gz IKKQGPLZMJRGBV-UHFFFAOYSA-N 2 0 258.365 2.973 20 0 CFADRP CO[C@H]1CC[C@@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000851885829 634571707 /nfs/dbraw/zinc/57/17/07/634571707.db2.gz MJPMPTMVZHJERR-CVEARBPZSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851887577 634573069 /nfs/dbraw/zinc/57/30/69/634573069.db2.gz XPYPOAJVDIKZMZ-INIZCTEOSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000769518915 627450789 /nfs/dbraw/zinc/45/07/89/627450789.db2.gz HIKDMGHTIKEXKQ-CABCVRRESA-N 2 0 286.423 2.863 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000770349211 627514912 /nfs/dbraw/zinc/51/49/12/627514912.db2.gz CGAVCNHWNCYIFI-CRAIPNDOSA-N 2 0 286.419 2.633 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000771390607 627601325 /nfs/dbraw/zinc/60/13/25/627601325.db2.gz PJVZGQUHAIAFDS-GVXVVHGQSA-N 2 0 267.804 2.868 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1CCC=CO1 ZINC000774981288 627983247 /nfs/dbraw/zinc/98/32/47/627983247.db2.gz ZTLHDUCMVOUFEE-JKSUJKDBSA-N 2 0 266.429 2.923 20 0 CFADRP FCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000777601083 628240084 /nfs/dbraw/zinc/24/00/84/628240084.db2.gz VIWKBJDIXYVZPV-UHFFFAOYSA-N 2 0 285.366 2.873 20 0 CFADRP Cc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000779634393 628391089 /nfs/dbraw/zinc/39/10/89/628391089.db2.gz YAKLZWZQWSXVGE-UHFFFAOYSA-N 2 0 297.402 2.591 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000783228621 628689329 /nfs/dbraw/zinc/68/93/29/628689329.db2.gz ATCMGUNIDHLKIF-HIFRSBDPSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000783234217 628690305 /nfs/dbraw/zinc/69/03/05/628690305.db2.gz RDQWEZFPABVWHF-WMLDXEAASA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000783493339 628713430 /nfs/dbraw/zinc/71/34/30/628713430.db2.gz FQSDBSMDGKBLMX-OAHLLOKOSA-N 2 0 264.438 2.733 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000783652292 628731260 /nfs/dbraw/zinc/73/12/60/628731260.db2.gz RRRZPGYXUSANTO-HOTGVXAUSA-N 2 0 280.456 2.608 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CCC[C@@H]1C ZINC000786831677 628981270 /nfs/dbraw/zinc/98/12/70/628981270.db2.gz YTVAKKVGWBQTQQ-UXLLHSPISA-N 2 0 276.424 2.837 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000787340094 629008202 /nfs/dbraw/zinc/00/82/02/629008202.db2.gz GBEINADOPCOCJK-INIZCTEOSA-N 2 0 282.472 2.735 20 0 CFADRP CS[C@H]1CCCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788486666 629073884 /nfs/dbraw/zinc/07/38/84/629073884.db2.gz YQMJFDQDBICQGD-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP CC[C@@](C)([NH2+]CC1CC[NH+](C)CC1)c1nccs1 ZINC000788495031 629074579 /nfs/dbraw/zinc/07/45/79/629074579.db2.gz XOXFPTGRPDXMCM-CQSZACIVSA-N 2 0 267.442 2.700 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788498693 629075019 /nfs/dbraw/zinc/07/50/19/629075019.db2.gz OVABDBFOFXUSHX-KGLIPLIRSA-N 2 0 279.428 2.948 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788529769 629078891 /nfs/dbraw/zinc/07/88/91/629078891.db2.gz TYVQEWDDLHZAPH-LSDHHAIUSA-N 2 0 291.439 2.950 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788529763 629078907 /nfs/dbraw/zinc/07/89/07/629078907.db2.gz TYVQEWDDLHZAPH-CABCVRRESA-N 2 0 291.439 2.950 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788689671 629092608 /nfs/dbraw/zinc/09/26/08/629092608.db2.gz IJUZOXMLIUZRGV-ZDUSSCGKSA-N 2 0 277.799 2.574 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1)[NH+]1CCCCC1 ZINC000788736298 629095444 /nfs/dbraw/zinc/09/54/44/629095444.db2.gz FMZPNAWPMQDWNZ-KGLIPLIRSA-N 2 0 277.412 2.702 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000790054334 629206194 /nfs/dbraw/zinc/20/61/94/629206194.db2.gz IKMPIVBKVQRLRV-SJORKVTESA-N 2 0 290.451 2.663 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000790054327 629206205 /nfs/dbraw/zinc/20/62/05/629206205.db2.gz IKMPIVBKVQRLRV-IAGOWNOFSA-N 2 0 290.451 2.663 20 0 CFADRP c1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)co1 ZINC000793240757 629511502 /nfs/dbraw/zinc/51/15/02/629511502.db2.gz LLCXULIIFACCQE-HDICACEKSA-N 2 0 282.387 2.843 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000793521688 629560062 /nfs/dbraw/zinc/56/00/62/629560062.db2.gz XEGDVYGVPFHZFK-UKRRQHHQSA-N 2 0 280.460 2.890 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793521691 629560119 /nfs/dbraw/zinc/56/01/19/629560119.db2.gz XEGDVYGVPFHZFK-ZFWWWQNUSA-N 2 0 280.460 2.890 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796794556 629968536 /nfs/dbraw/zinc/96/85/36/629968536.db2.gz VBADGHOAORZIIG-BBWFWOEESA-N 2 0 291.439 2.686 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796794558 629968621 /nfs/dbraw/zinc/96/86/21/629968621.db2.gz VBADGHOAORZIIG-GVDBMIGSSA-N 2 0 291.439 2.686 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000852564158 634780583 /nfs/dbraw/zinc/78/05/83/634780583.db2.gz FGQVJAHOAFSNMZ-JFIYKMOQSA-N 2 0 287.451 2.724 20 0 CFADRP CCc1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000799176753 630283331 /nfs/dbraw/zinc/28/33/31/630283331.db2.gz BSLRYAKNRBHCFA-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177291 630283764 /nfs/dbraw/zinc/28/37/64/630283764.db2.gz PDUNGKLZWOESFO-CQSZACIVSA-N 2 0 296.455 2.524 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000800224729 630361446 /nfs/dbraw/zinc/36/14/46/630361446.db2.gz JPSUGUAHEOPLJE-KGLIPLIRSA-N 2 0 267.417 2.701 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC=C(Cl)Cl)C2)C1 ZINC000852752991 634826007 /nfs/dbraw/zinc/82/60/07/634826007.db2.gz SUXBEWWGDAKZGG-IJLUTSLNSA-N 2 0 293.238 2.524 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCC(=O)OCCC[NH+]1CCCCC1 ZINC000803859698 630649704 /nfs/dbraw/zinc/64/97/04/630649704.db2.gz UMLHEXVTQTWMLY-INIZCTEOSA-N 2 0 296.455 2.670 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000843120143 630785328 /nfs/dbraw/zinc/78/53/28/630785328.db2.gz ADEGXRMRPALJKP-UHFFFAOYSA-N 2 0 264.438 2.886 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1nccc2ccccc21 ZINC000843126208 630804561 /nfs/dbraw/zinc/80/45/61/630804561.db2.gz CQWFXPCZZINCSI-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000843127566 630808732 /nfs/dbraw/zinc/80/87/32/630808732.db2.gz DYBVGIOFNGDNAU-UHFFFAOYSA-N 2 0 278.425 2.747 20 0 CFADRP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000042108073 649995294 /nfs/dbraw/zinc/99/52/94/649995294.db2.gz LAGJKVFXYDDOMQ-AWEZNQCLSA-N 2 0 291.443 2.536 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC[C@@H]2CCOC2)cc1 ZINC000809738857 631274955 /nfs/dbraw/zinc/27/49/55/631274955.db2.gz MZNJYKRGBJVZBL-QGZVFWFLSA-N 2 0 276.424 2.607 20 0 CFADRP Cc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C2 ZINC000841006893 631302165 /nfs/dbraw/zinc/30/21/65/631302165.db2.gz OZGJRANWDPMPOQ-CABCVRRESA-N 2 0 258.409 2.741 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)no1 ZINC000841006125 631302290 /nfs/dbraw/zinc/30/22/90/631302290.db2.gz BGUIVJVSBHXZSK-LNSITVRQSA-N 2 0 263.385 2.508 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000841009140 631303246 /nfs/dbraw/zinc/30/32/46/631303246.db2.gz JBVRMTQHTXDCIM-INIZCTEOSA-N 2 0 290.432 2.633 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000841009141 631304393 /nfs/dbraw/zinc/30/43/93/631304393.db2.gz JBVRMTQHTXDCIM-MRXNPFEDSA-N 2 0 290.432 2.633 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000841009135 631304762 /nfs/dbraw/zinc/30/47/62/631304762.db2.gz IRKIOCQELUALKM-SJORKVTESA-N 2 0 276.424 2.704 20 0 CFADRP Cc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000841018758 631307523 /nfs/dbraw/zinc/30/75/23/631307523.db2.gz QUXGKTBCUXGAQO-DLBZAZTESA-N 2 0 287.451 2.505 20 0 CFADRP COc1ccsc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032232 631312702 /nfs/dbraw/zinc/31/27/02/631312702.db2.gz POVAMTAPVVMZNL-UHFFFAOYSA-N 2 0 276.405 2.548 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000841032816 631313378 /nfs/dbraw/zinc/31/33/78/631313378.db2.gz ZCEREIYASLCRFV-KRWDZBQOSA-N 2 0 296.414 2.844 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CCCCC1 ZINC000841040429 631317635 /nfs/dbraw/zinc/31/76/35/631317635.db2.gz QQAXAQLLGNCGMF-JHJVBQTASA-N 2 0 286.510 2.617 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cnc3ccccc3c2)CCC[NH2+]C1 ZINC000841056933 631323377 /nfs/dbraw/zinc/32/33/77/631323377.db2.gz KBQJJFMOIWGANC-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1C ZINC000841057274 631324554 /nfs/dbraw/zinc/32/45/54/631324554.db2.gz IQRQWZFBRAQZPV-HNNXBMFYSA-N 2 0 262.397 2.544 20 0 CFADRP COCC1(C[NH2+]C2CCCCCCC2)CC[NH2+]CC1 ZINC000841068372 631329215 /nfs/dbraw/zinc/32/92/15/631329215.db2.gz MSMNRPOPZZXGRO-UHFFFAOYSA-N 2 0 268.445 2.705 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000841067857 631329309 /nfs/dbraw/zinc/32/93/09/631329309.db2.gz PZLPENXNNQPRLS-CABCVRRESA-N 2 0 256.434 2.704 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000841076270 631331708 /nfs/dbraw/zinc/33/17/08/631331708.db2.gz VNHAJDCWQXLWRI-QJYBKRKXSA-N 2 0 286.419 2.658 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000841078238 631332157 /nfs/dbraw/zinc/33/21/57/631332157.db2.gz GOMXTBOKDSWLOQ-HTAVTVPLSA-N 2 0 276.346 2.839 20 0 CFADRP O[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000841095074 631338549 /nfs/dbraw/zinc/33/85/49/631338549.db2.gz HNJVXIIKXVYKSF-ROUUACIJSA-N 2 0 284.403 2.605 20 0 CFADRP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000810261666 631351972 /nfs/dbraw/zinc/35/19/72/631351972.db2.gz XOGUKKSGTMVATQ-MQVJKMGUSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000842156965 631555759 /nfs/dbraw/zinc/55/57/59/631555759.db2.gz BIBOLNUKDYBFGH-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)[NH+](CC)CC ZINC000840234493 631583188 /nfs/dbraw/zinc/58/31/88/631583188.db2.gz BHNBZCALSLZLCA-LSDHHAIUSA-N 2 0 284.444 2.524 20 0 CFADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000842471867 631639604 /nfs/dbraw/zinc/63/96/04/631639604.db2.gz DJPYHZPKKUPHID-RYQLBKOJSA-N 2 0 288.435 2.574 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCCCC[NH3+])[C@@H](CC)CN1C(C)=O ZINC000842472601 631639650 /nfs/dbraw/zinc/63/96/50/631639650.db2.gz FWWYPUPZLXNQHT-DLBZAZTESA-N 2 0 297.487 2.617 20 0 CFADRP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(N)n1)c1ccccc1 ZINC000043532879 650018816 /nfs/dbraw/zinc/01/88/16/650018816.db2.gz QVGGEZLISPXHSB-OAHLLOKOSA-N 2 0 299.422 2.862 20 0 CFADRP CCCCCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000842478614 631641466 /nfs/dbraw/zinc/64/14/66/631641466.db2.gz INZMNAVENAATDA-CVEARBPZSA-N 2 0 268.445 2.785 20 0 CFADRP [NH3+]CCCCCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000842478670 631641566 /nfs/dbraw/zinc/64/15/66/631641566.db2.gz MANOXCDWKZCMST-OAHLLOKOSA-N 2 0 268.445 2.835 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC000842674383 631701618 /nfs/dbraw/zinc/70/16/18/631701618.db2.gz ZIUUAUSRYAORHT-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCC[NH3+])C1 ZINC000155700802 650029899 /nfs/dbraw/zinc/02/98/99/650029899.db2.gz MEAIKCQTOWFPFG-OAHLLOKOSA-N 2 0 297.487 2.522 20 0 CFADRP COc1cccc2cc(C[NH+]3CCC(C[NH3+])CC3)oc21 ZINC000843047122 631813182 /nfs/dbraw/zinc/81/31/82/631813182.db2.gz HOLUHWBYHZJTGH-UHFFFAOYSA-N 2 0 274.364 2.612 20 0 CFADRP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000843060573 631823580 /nfs/dbraw/zinc/82/35/80/631823580.db2.gz ZQUCXJQWGGOYFX-BPQIPLTHSA-N 2 0 288.435 2.574 20 0 CFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]C1CCC([NH3+])CC1 ZINC000843105540 631836714 /nfs/dbraw/zinc/83/67/14/631836714.db2.gz VNCWMPTUOSKJAK-UHFFFAOYSA-N 2 0 292.814 2.586 20 0 CFADRP CC(C)c1cnc(C[NH2+]CCCCCC[NH3+])s1 ZINC000843126139 631845931 /nfs/dbraw/zinc/84/59/31/631845931.db2.gz AWCCKWJFGYRYQP-UHFFFAOYSA-N 2 0 255.431 2.875 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843127439 631846831 /nfs/dbraw/zinc/84/68/31/631846831.db2.gz PGOXSVXKRXTRIM-AEFFLSMTSA-N 2 0 289.467 2.931 20 0 CFADRP CCc1noc(C2CCC([NH2+]CCCCCC[NH3+])CC2)n1 ZINC000843127527 631846865 /nfs/dbraw/zinc/84/68/65/631846865.db2.gz PPPSKSMQPJMHKX-UHFFFAOYSA-N 2 0 294.443 2.767 20 0 CFADRP Clc1ncccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843128323 631847341 /nfs/dbraw/zinc/84/73/41/631847341.db2.gz VYQIADFYHFLROJ-CYBMUJFWSA-N 2 0 279.815 2.557 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000843127966 631847954 /nfs/dbraw/zinc/84/79/54/631847954.db2.gz SIBSSLQVONANQI-UHFFFAOYSA-N 2 0 273.380 2.549 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000843340594 631931231 /nfs/dbraw/zinc/93/12/31/631931231.db2.gz BZIRNZGZVKXSLM-OAHLLOKOSA-N 2 0 290.386 2.747 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843341017 631931506 /nfs/dbraw/zinc/93/15/06/631931506.db2.gz BMMMIGZGIUWCJL-CYBMUJFWSA-N 2 0 250.386 2.865 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000843342436 631932635 /nfs/dbraw/zinc/93/26/35/631932635.db2.gz QQPGNRDKGXZYOB-BZUAXINKSA-N 2 0 268.445 2.690 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccn(-c2ccccc2)n1 ZINC000843357233 631935366 /nfs/dbraw/zinc/93/53/66/631935366.db2.gz DKKBMDRSAVXDFR-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP Clc1ccc(OC[C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000843357186 631935518 /nfs/dbraw/zinc/93/55/18/631935518.db2.gz BKVHSKDJQATJIE-HIFRSBDPSA-N 2 0 294.826 2.793 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000843359358 631936718 /nfs/dbraw/zinc/93/67/18/631936718.db2.gz QFBYZJXBKAKEFP-ZWKOTPCHSA-N 2 0 290.451 2.964 20 0 CFADRP [NH3+]CCCCCCCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000843378739 631941226 /nfs/dbraw/zinc/94/12/26/631941226.db2.gz NXOTTWNJSSVWQA-KRWDZBQOSA-N 2 0 293.430 2.681 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843382408 631942215 /nfs/dbraw/zinc/94/22/15/631942215.db2.gz OTNQPZVULXCYEK-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP Cc1ccccc1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843385497 631942574 /nfs/dbraw/zinc/94/25/74/631942574.db2.gz MVWUOIPJFZTHKC-QGZVFWFLSA-N 2 0 288.435 2.695 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843388356 631943468 /nfs/dbraw/zinc/94/34/68/631943468.db2.gz MSJXUGKVFMLHHZ-KBPBESRZSA-N 2 0 264.438 2.612 20 0 CFADRP Cc1cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cnc1Cl ZINC000844901952 632331269 /nfs/dbraw/zinc/33/12/69/632331269.db2.gz KFZOPORFEHKTIH-BXUZGUMPSA-N 2 0 281.831 2.993 20 0 CFADRP C[C@@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@]1(F)Cl ZINC000844923173 632337745 /nfs/dbraw/zinc/33/77/45/632337745.db2.gz HYCODBOLGGVBJE-NRUFJFEESA-N 2 0 260.784 2.564 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000844924197 632338757 /nfs/dbraw/zinc/33/87/57/632338757.db2.gz JPCZJEWZDYFBSY-QNWHQSFQSA-N 2 0 291.266 2.938 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]CCC1CC[NH2+]CC1 ZINC000844926551 632339647 /nfs/dbraw/zinc/33/96/47/632339647.db2.gz WDSOWYLJIVSLIP-GFCCVEGCSA-N 2 0 258.475 2.886 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000844926234 632339699 /nfs/dbraw/zinc/33/96/99/632339699.db2.gz YBUCCXSOHONWIE-HIFRSBDPSA-N 2 0 250.361 2.809 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000845942676 632601183 /nfs/dbraw/zinc/60/11/83/632601183.db2.gz QSEKTBGRFYLQNH-ILXRZTDVSA-N 2 0 270.461 2.900 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000845996010 632610206 /nfs/dbraw/zinc/61/02/06/632610206.db2.gz IYIDTZZPHPUHMH-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@]1(F)Cl ZINC000846037311 632620024 /nfs/dbraw/zinc/62/00/24/632620024.db2.gz LPBCJSMOTDZOIK-YIYPIFLZSA-N 2 0 274.811 2.908 20 0 CFADRP C[N@H+](CCCCCC[NH3+])[C@H](CCO)c1ccccc1 ZINC000846218238 632663782 /nfs/dbraw/zinc/66/37/82/632663782.db2.gz NRXODJZGQPQFLT-MRXNPFEDSA-N 2 0 264.413 2.561 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H](c2ccccc2)O1 ZINC000846217794 632664067 /nfs/dbraw/zinc/66/40/67/632664067.db2.gz BWGAOBHAUAQVKX-NVXWUHKLSA-N 2 0 276.424 2.968 20 0 CFADRP [NH3+]CCCCCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000846218806 632664617 /nfs/dbraw/zinc/66/46/17/632664617.db2.gz XGLAOHLCFCNORP-SFHVURJKSA-N 2 0 290.451 2.877 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000846219212 632665427 /nfs/dbraw/zinc/66/54/27/632665427.db2.gz KPLAQYORBUZMJJ-KRWDZBQOSA-N 2 0 298.471 2.556 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000846219199 632666050 /nfs/dbraw/zinc/66/60/50/632666050.db2.gz KEJXEYWKRNFYIM-KBPBESRZSA-N 2 0 256.459 2.866 20 0 CFADRP [NH3+]CCCCCCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000846221178 632667487 /nfs/dbraw/zinc/66/74/87/632667487.db2.gz UTDBROYVHAZJSM-INIZCTEOSA-N 2 0 295.858 2.805 20 0 CFADRP COc1ccc(C2CC[NH+](CCCCCC[NH3+])CC2)nc1 ZINC000846223046 632668676 /nfs/dbraw/zinc/66/86/76/632668676.db2.gz NWIVBEMADUSJIK-UHFFFAOYSA-N 2 0 291.439 2.789 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000817889901 632718123 /nfs/dbraw/zinc/71/81/23/632718123.db2.gz QGEDYWGIRDJUBL-KZNAEPCWSA-N 2 0 282.387 2.763 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000817892080 632718259 /nfs/dbraw/zinc/71/82/59/632718259.db2.gz QKHBLQMJEUQXFH-MELADBBJSA-N 2 0 289.423 2.590 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc3C2)c2ccccc21 ZINC000817891229 632718884 /nfs/dbraw/zinc/71/88/84/632718884.db2.gz IMYFMFHCQVKDBC-VHSSKADRSA-N 2 0 294.398 2.972 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000817894385 632719936 /nfs/dbraw/zinc/71/99/36/632719936.db2.gz NBVBLVPVLXJLAB-VBQJREDUSA-N 2 0 276.424 2.870 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000817895063 632720767 /nfs/dbraw/zinc/72/07/67/632720767.db2.gz UGTWHNDQORHGTC-RYUDHWBXSA-N 2 0 293.436 2.701 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897232 632721576 /nfs/dbraw/zinc/72/15/76/632721576.db2.gz HJUKYWMROVONIH-GJZGRUSLSA-N 2 0 281.488 2.747 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000817897307 632721585 /nfs/dbraw/zinc/72/15/85/632721585.db2.gz JXFPSIUZEMGDDK-VHRBIJSZSA-N 2 0 279.453 2.783 20 0 CFADRP C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817897188 632721894 /nfs/dbraw/zinc/72/18/94/632721894.db2.gz GTGKSPCANBIUBG-YJBOKZPZSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897233 632721936 /nfs/dbraw/zinc/72/19/36/632721936.db2.gz HJUKYWMROVONIH-HUUCEWRRSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCOc1ccccc1F ZINC000817897812 632721942 /nfs/dbraw/zinc/72/19/42/632721942.db2.gz BFXGFCCPGHTKKD-ZDUSSCGKSA-N 2 0 268.376 2.702 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817899361 632723078 /nfs/dbraw/zinc/72/30/78/632723078.db2.gz NRTKVGYZGYCLGD-LSDHHAIUSA-N 2 0 280.387 2.844 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817902418 632724930 /nfs/dbraw/zinc/72/49/30/632724930.db2.gz QHMRBUIJUCARTQ-GOEBONIOSA-N 2 0 275.440 2.620 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817901931 632725552 /nfs/dbraw/zinc/72/55/52/632725552.db2.gz ZXORKLGNQRJAMC-XYPHTWIQSA-N 2 0 294.414 2.760 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817901858 632725666 /nfs/dbraw/zinc/72/56/66/632725666.db2.gz YVHFSVUBZFVKIE-BBWFWOEESA-N 2 0 273.424 2.609 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000817905546 632728215 /nfs/dbraw/zinc/72/82/15/632728215.db2.gz OBFVQEROGVVVHX-XBVQOTNRSA-N 2 0 276.424 2.606 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904896 632728394 /nfs/dbraw/zinc/72/83/94/632728394.db2.gz GORGBSQMTKBEKV-RCCFBDPRSA-N 2 0 284.403 2.590 20 0 CFADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000817904689 632728447 /nfs/dbraw/zinc/72/84/47/632728447.db2.gz GMZHXEBYTNPWRP-ZZJWQFMZSA-N 2 0 296.414 2.746 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817907684 632728936 /nfs/dbraw/zinc/72/89/36/632728936.db2.gz QPUJRSZVFDQNQP-RDJZCZTQSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817912156 632731167 /nfs/dbraw/zinc/73/11/67/632731167.db2.gz DWVXATDVUHWBLH-RYSNWHEDSA-N 2 0 282.453 2.667 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000817915967 632732484 /nfs/dbraw/zinc/73/24/84/632732484.db2.gz SPZIJKHFQLVPOC-WBMJQRKESA-N 2 0 289.448 2.542 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c21 ZINC000817920452 632734239 /nfs/dbraw/zinc/73/42/39/632734239.db2.gz MCKGUPOZSPNAPF-YIONKMFJSA-N 2 0 299.418 2.592 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@H](C)CCCC[NH3+])c21 ZINC000817920513 632734479 /nfs/dbraw/zinc/73/44/79/632734479.db2.gz OALNCDLIWVUZGV-CYBMUJFWSA-N 2 0 289.423 2.826 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817918950 632734490 /nfs/dbraw/zinc/73/44/90/632734490.db2.gz ZYGBJYCUVSUAGD-YESZJQIVSA-N 2 0 288.435 2.607 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817922255 632735441 /nfs/dbraw/zinc/73/54/41/632735441.db2.gz CFKCSAIVOJIQGD-WFASDCNBSA-N 2 0 284.831 2.655 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](O)c1ccccc1 ZINC000817927396 632738639 /nfs/dbraw/zinc/73/86/39/632738639.db2.gz KHUJMJAPHSAAAG-HYVNUMGLSA-N 2 0 278.440 2.996 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817929539 632739493 /nfs/dbraw/zinc/73/94/93/632739493.db2.gz ICULTJIGRAKYGK-WCQYABFASA-N 2 0 267.804 2.651 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000817929802 632740190 /nfs/dbraw/zinc/74/01/90/632740190.db2.gz KLZCBKHGJGKIGM-BRWVUGGUSA-N 2 0 276.424 2.586 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817940056 632744368 /nfs/dbraw/zinc/74/43/68/632744368.db2.gz KRJCQMIADNHAON-MRXNPFEDSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccnc(Cl)c1 ZINC000817947536 632749366 /nfs/dbraw/zinc/74/93/66/632749366.db2.gz PKMHZGPCQRPRSZ-GMXVVIOVSA-N 2 0 267.804 2.774 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817948694 632750283 /nfs/dbraw/zinc/75/02/83/632750283.db2.gz KLUVEZLRAJAYEF-SFHVURJKSA-N 2 0 299.393 2.963 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000817948958 632750838 /nfs/dbraw/zinc/75/08/38/632750838.db2.gz MVOGVIZHWLXLQV-SJORKVTESA-N 2 0 258.409 2.856 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817955338 632754832 /nfs/dbraw/zinc/75/48/32/632754832.db2.gz VVHBXROLDUYZLQ-XJKSGUPXSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961284 632760220 /nfs/dbraw/zinc/76/02/20/632760220.db2.gz WJKCVDCDJLQFEL-MAZHCROVSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccnc1Cl ZINC000817961104 632760578 /nfs/dbraw/zinc/76/05/78/632760578.db2.gz UPWLJDIYOPNDPX-GVXVVHGQSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccnc1Cl ZINC000817961116 632760964 /nfs/dbraw/zinc/76/09/64/632760964.db2.gz UPWLJDIYOPNDPX-LOWVWBTDSA-N 2 0 267.804 2.903 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)N[C@H](C)C[NH3+])ccc1OC ZINC000817966171 632765735 /nfs/dbraw/zinc/76/57/35/632765735.db2.gz HYGQAVAJGHZQGP-ZIAGYGMSSA-N 2 0 293.455 2.535 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969882 632768514 /nfs/dbraw/zinc/76/85/14/632768514.db2.gz HKCSUYPVUXKGKJ-CQDKDKBSSA-N 2 0 260.381 2.542 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000817970053 632768698 /nfs/dbraw/zinc/76/86/98/632768698.db2.gz KHHMDARPDFQEJN-TYNCELHUSA-N 2 0 250.361 2.783 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000817978074 632775148 /nfs/dbraw/zinc/77/51/48/632775148.db2.gz VHVPPUBDYDNGBT-WFASDCNBSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000817985996 632781899 /nfs/dbraw/zinc/78/18/99/632781899.db2.gz OZVBZMUSILRRQV-GFCCVEGCSA-N 2 0 256.459 2.806 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccnc(Cl)c1 ZINC000817985025 632782278 /nfs/dbraw/zinc/78/22/78/632782278.db2.gz FQUMNKJUBIMISU-SCUASFONSA-N 2 0 279.815 2.774 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000818334259 632831418 /nfs/dbraw/zinc/83/14/18/632831418.db2.gz LHQXZGAGFWJMIR-UWVGGRQHSA-N 2 0 265.228 2.548 20 0 CFADRP CN(Cc1cnc(Cl)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000846899392 632838280 /nfs/dbraw/zinc/83/82/80/632838280.db2.gz PMSZWGSKKGPLLB-FUNVUKJBSA-N 2 0 297.805 2.931 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925490697 635847399 /nfs/dbraw/zinc/84/73/99/635847399.db2.gz AQTGKNIGBXBZOD-ROUUACIJSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000818959873 632915487 /nfs/dbraw/zinc/91/54/87/632915487.db2.gz VFZDIODDJKNXTJ-AEFFLSMTSA-N 2 0 290.451 2.822 20 0 CFADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000818970646 632918330 /nfs/dbraw/zinc/91/83/30/632918330.db2.gz XNFBVGLJWGZLKX-PBHICJAKSA-N 2 0 294.414 2.571 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000818979770 632920483 /nfs/dbraw/zinc/92/04/83/632920483.db2.gz ALAYBNBDAKEZST-CJNGLKHVSA-N 2 0 296.842 2.695 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000818984221 632921702 /nfs/dbraw/zinc/92/17/02/632921702.db2.gz AWMZUGYUXIGFLL-RHSMWYFYSA-N 2 0 294.414 2.569 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819132329 632978298 /nfs/dbraw/zinc/97/82/98/632978298.db2.gz AXFFBFYBRLVHAD-JYJNAYRXSA-N 2 0 296.842 2.836 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819186512 633005125 /nfs/dbraw/zinc/00/51/25/633005125.db2.gz ZGHFLTRYEOBFAX-MQBCKMQZSA-N 2 0 294.414 2.569 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000819221263 633026133 /nfs/dbraw/zinc/02/61/33/633026133.db2.gz WNQPPQLZSAKOLE-BLLLJJGKSA-N 2 0 294.826 2.613 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2cccc(F)c2)CCCC1 ZINC000819226118 633026633 /nfs/dbraw/zinc/02/66/33/633026633.db2.gz AGHGYIIICGMOJL-INIZCTEOSA-N 2 0 294.414 2.571 20 0 CFADRP C[C@H](CC[NH2+]C[C@H](O)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000819228250 633029140 /nfs/dbraw/zinc/02/91/40/633029140.db2.gz HELYDKPNRJDVMF-PBHICJAKSA-N 2 0 294.414 2.713 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000819356434 633104964 /nfs/dbraw/zinc/10/49/64/633104964.db2.gz YHUXSXFWPZIBKD-GOSISDBHSA-N 2 0 288.435 2.635 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000819360660 633109791 /nfs/dbraw/zinc/10/97/91/633109791.db2.gz LLWUWODPEZLUOJ-GOSISDBHSA-N 2 0 295.386 2.774 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]CC1(O)CCCCC1 ZINC000819389064 633144785 /nfs/dbraw/zinc/14/47/85/633144785.db2.gz IGHFQDIPIBCQBB-UHFFFAOYSA-N 2 0 270.461 2.783 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000848562634 633289836 /nfs/dbraw/zinc/28/98/36/633289836.db2.gz JYGLAVPZADABMS-AKAXFMLLSA-N 2 0 269.392 2.665 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848718302 633323497 /nfs/dbraw/zinc/32/34/97/633323497.db2.gz IBBOTQNVIQXSQO-CABCVRRESA-N 2 0 262.397 2.623 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCCC[N@H+](C)C(C)C)cc1 ZINC000848987665 633418045 /nfs/dbraw/zinc/41/80/45/633418045.db2.gz OKYZXSYBVQTQFY-UHFFFAOYSA-N 2 0 276.428 2.916 20 0 CFADRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)NC1CCC1 ZINC000849006864 633457649 /nfs/dbraw/zinc/45/76/49/633457649.db2.gz APWCFUJIEAMTQM-MRXNPFEDSA-N 2 0 292.471 2.698 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849025983 633467036 /nfs/dbraw/zinc/46/70/36/633467036.db2.gz HTFBQVXENUEKBA-UKRRQHHQSA-N 2 0 280.460 2.696 20 0 CFADRP CCN(CC)C(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849026893 633468509 /nfs/dbraw/zinc/46/85/09/633468509.db2.gz YYVFPXKZCDZIJG-UHFFFAOYSA-N 2 0 294.487 2.899 20 0 CFADRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030686 633470729 /nfs/dbraw/zinc/47/07/29/633470729.db2.gz SDOHYYBQOUBXAB-CYBMUJFWSA-N 2 0 290.455 2.945 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849096710 633483817 /nfs/dbraw/zinc/48/38/17/633483817.db2.gz LJNBILBXFPSSFL-HUUCEWRRSA-N 2 0 282.476 2.657 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849076450 633484091 /nfs/dbraw/zinc/48/40/91/633484091.db2.gz MLVNSBLGZGRTOP-ZBFHGGJFSA-N 2 0 294.487 2.944 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000849111420 633486996 /nfs/dbraw/zinc/48/69/96/633486996.db2.gz ZQYROLNYWREYBJ-CQSZACIVSA-N 2 0 280.460 2.553 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000849111419 633487262 /nfs/dbraw/zinc/48/72/62/633487262.db2.gz ZQYROLNYWREYBJ-AWEZNQCLSA-N 2 0 280.460 2.553 20 0 CFADRP COc1cncc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000850134683 633852014 /nfs/dbraw/zinc/85/20/14/633852014.db2.gz FWXPVJGYUOSNDV-UHFFFAOYSA-N 2 0 291.439 2.836 20 0 CFADRP Cc1ncc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1C ZINC000850178726 633874213 /nfs/dbraw/zinc/87/42/13/633874213.db2.gz IIHCHCBUPLHHJQ-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@H]2CCC[C@H]21 ZINC000850524927 634033215 /nfs/dbraw/zinc/03/32/15/634033215.db2.gz FLXJZTVLDIFMDQ-ILOCAZANSA-N 2 0 286.419 2.627 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2SCCS2)[C@@H]2CCC[C@H]21 ZINC000850568710 634055489 /nfs/dbraw/zinc/05/54/89/634055489.db2.gz GQNYUCBERWVVPU-RWMBFGLXSA-N 2 0 286.510 2.645 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2SCCS2)[C@H](C)C1 ZINC000850570698 634055953 /nfs/dbraw/zinc/05/59/53/634055953.db2.gz ZPHJGSFFTGWPCE-NEPJUHHUSA-N 2 0 274.499 2.503 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1SCCS1 ZINC000853023023 634879990 /nfs/dbraw/zinc/87/99/90/634879990.db2.gz KOELXKSRSQEOLI-STQMWFEESA-N 2 0 286.510 2.647 20 0 CFADRP Cc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000853093572 634901773 /nfs/dbraw/zinc/90/17/73/634901773.db2.gz NPHKLPLTBLBKDP-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242005 634949433 /nfs/dbraw/zinc/94/94/33/634949433.db2.gz YXEKIWVAOJBINC-DLBZAZTESA-N 2 0 292.467 2.657 20 0 CFADRP C1=C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000854221512 635260747 /nfs/dbraw/zinc/26/07/47/635260747.db2.gz OBWKYFSPHSGAQJ-LXZKKBNFSA-N 2 0 270.376 2.551 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925489805 635730096 /nfs/dbraw/zinc/73/00/96/635730096.db2.gz RPTGHLRJYAFLBR-UONOGXRCSA-N 2 0 256.434 2.689 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000925491557 635967841 /nfs/dbraw/zinc/96/78/41/635967841.db2.gz DIQYVSBLBZOPLG-IAGOWNOFSA-N 2 0 287.451 2.554 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857845738 636030183 /nfs/dbraw/zinc/03/01/83/636030183.db2.gz RDNBJGGNADCBJW-UKRRQHHQSA-N 2 0 278.444 2.887 20 0 CFADRP Clc1ccc2c(n1)[C@@H]([NH2+][C@H]1CCn3ccnc3C1)CC2 ZINC000857910279 636061447 /nfs/dbraw/zinc/06/14/47/636061447.db2.gz GMEZVWMMMZKFGV-RYUDHWBXSA-N 2 0 288.782 2.523 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858091934 636123253 /nfs/dbraw/zinc/12/32/53/636123253.db2.gz KKOQVRZMMUBVQS-OLZOCXBDSA-N 2 0 250.386 2.673 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnc(F)c1 ZINC000858098416 636123939 /nfs/dbraw/zinc/12/39/39/636123939.db2.gz MLGIECCNBPKDLU-CQSZACIVSA-N 2 0 279.403 2.965 20 0 CFADRP Fc1cc(C[NH2+]CCCCC[NH+]2CCCC2)ccn1 ZINC000858168071 636145723 /nfs/dbraw/zinc/14/57/23/636145723.db2.gz MGWLFHXVTCVGOH-UHFFFAOYSA-N 2 0 265.376 2.576 20 0 CFADRP OCc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc[nH+]1 ZINC000858340385 636198572 /nfs/dbraw/zinc/19/85/72/636198572.db2.gz FBNJWXZYXZTYOA-GOSISDBHSA-N 2 0 297.402 2.823 20 0 CFADRP OCc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858346861 636201408 /nfs/dbraw/zinc/20/14/08/636201408.db2.gz SMKUHRFMOJQUGE-QGZVFWFLSA-N 2 0 297.402 2.650 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858359276 636206807 /nfs/dbraw/zinc/20/68/07/636206807.db2.gz DRNMSMJKVWMXAC-RHSMWYFYSA-N 2 0 297.402 2.821 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000858377555 636212715 /nfs/dbraw/zinc/21/27/15/636212715.db2.gz XQZPXLZXOBZJTO-INIZCTEOSA-N 2 0 277.412 2.640 20 0 CFADRP OCc1cc(NC2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC000858431746 636236721 /nfs/dbraw/zinc/23/67/21/636236721.db2.gz HINCZEQCSPUUMG-UHFFFAOYSA-N 2 0 289.423 2.783 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC000858484703 636267705 /nfs/dbraw/zinc/26/77/05/636267705.db2.gz YWAUOGXNCKXKBL-KDOFPFPSSA-N 2 0 297.402 2.506 20 0 CFADRP C[C@@H](Nc1cc[nH+]c(CO)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000858520499 636281794 /nfs/dbraw/zinc/28/17/94/636281794.db2.gz BHSCEFALKBGVOX-CXAGYDPISA-N 2 0 285.391 2.677 20 0 CFADRP C[C@@H](Nc1cc[nH+]c(CO)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000858520500 636281873 /nfs/dbraw/zinc/28/18/73/636281873.db2.gz BHSCEFALKBGVOX-DYVFJYSZSA-N 2 0 285.391 2.677 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)Nc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858546119 636288113 /nfs/dbraw/zinc/28/81/13/636288113.db2.gz ZRFHWTJKFRUFKD-KSSFIOAISA-N 2 0 299.418 2.986 20 0 CFADRP Cc1ccccc1[C@@H]([C@@H](C)Nc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858546120 636288285 /nfs/dbraw/zinc/28/82/85/636288285.db2.gz ZRFHWTJKFRUFKD-RDTXWAMCSA-N 2 0 299.418 2.986 20 0 CFADRP CCOC(C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OCC ZINC000859212436 636506474 /nfs/dbraw/zinc/50/64/74/636506474.db2.gz JUYRTAZWVAYQAM-UHFFFAOYSA-N 2 0 294.439 2.579 20 0 CFADRP CN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212297 636507132 /nfs/dbraw/zinc/50/71/32/636507132.db2.gz MLQQXVUOVRVYGZ-GOSISDBHSA-N 2 0 289.467 2.664 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3ccccc3)CC1)[NH2+]2 ZINC000925492571 636687324 /nfs/dbraw/zinc/68/73/24/636687324.db2.gz HTXWHZXNDCCWSA-WQCNXYOZSA-N 2 0 299.462 2.774 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000862274358 637305772 /nfs/dbraw/zinc/30/57/72/637305772.db2.gz KRMSYRIEUSWQIN-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1ncc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC000862283113 637312105 /nfs/dbraw/zinc/31/21/05/637312105.db2.gz ASSNFVFFNNHJLX-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP C[C@@H](CCNCc1ccc(F)nc1)[NH+]1CCCCC1 ZINC000189180451 650367207 /nfs/dbraw/zinc/36/72/07/650367207.db2.gz PPQWJAUSHDJPIT-ZDUSSCGKSA-N 2 0 265.376 2.575 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864452068 637985109 /nfs/dbraw/zinc/98/51/09/637985109.db2.gz FKZBAEAHKLUAAR-CJNGLKHVSA-N 2 0 288.439 2.549 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865447973 638340920 /nfs/dbraw/zinc/34/09/20/638340920.db2.gz VJGAJDGEORVBND-MNOVXSKESA-N 2 0 285.313 2.561 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865600553 638450778 /nfs/dbraw/zinc/45/07/78/638450778.db2.gz QMJUDSXDGMVPBO-LLVKDONJSA-N 2 0 285.794 2.696 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCSC2)CC1(C)C ZINC000865651588 638487677 /nfs/dbraw/zinc/48/76/77/638487677.db2.gz XOXFZXMNQJVKIO-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP COc1cccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)n1 ZINC000865716668 638531794 /nfs/dbraw/zinc/53/17/94/638531794.db2.gz CVUWMDQBHACZGY-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000865717320 638533146 /nfs/dbraw/zinc/53/31/46/638533146.db2.gz WHRUCMVETDEAIT-RDJZCZTQSA-N 2 0 293.499 2.712 20 0 CFADRP COC(C)(C)CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000865756176 638556110 /nfs/dbraw/zinc/55/61/10/638556110.db2.gz YXPGXAITJGTYJM-UHFFFAOYSA-N 2 0 294.439 2.532 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2CC2)(c2ccccc2)CC1 ZINC000865774050 638564918 /nfs/dbraw/zinc/56/49/18/638564918.db2.gz NYGOCCKEDXFVNP-UHFFFAOYSA-N 2 0 258.409 2.650 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000866236700 638777031 /nfs/dbraw/zinc/77/70/31/638777031.db2.gz BSMXHRFEXARPSI-PVAVHDDUSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866280129 638788388 /nfs/dbraw/zinc/78/83/88/638788388.db2.gz NYMGWFGOKBSOBO-NVXWUHKLSA-N 2 0 293.455 2.725 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000866309492 638794714 /nfs/dbraw/zinc/79/47/14/638794714.db2.gz PCPPVAJNSVZFIG-ZKLCHKPXSA-N 2 0 292.467 2.654 20 0 CFADRP C1CC([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]2CCCO2)C1 ZINC000866351956 638802758 /nfs/dbraw/zinc/80/27/58/638802758.db2.gz UJBXQWZHWFQOGU-ZGUYJTEBSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000866370930 638807260 /nfs/dbraw/zinc/80/72/60/638807260.db2.gz COFJWSBUACIQDD-AWEZNQCLSA-N 2 0 280.375 2.840 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)ccc12 ZINC000866371986 638807611 /nfs/dbraw/zinc/80/76/11/638807611.db2.gz NIZAJSLEOAOIIP-SJORKVTESA-N 2 0 285.391 2.772 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866396710 638814102 /nfs/dbraw/zinc/81/41/02/638814102.db2.gz BVYXUQUQBGTSAA-DJIMGWMZSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)[C@H]2CCC[C@H]21 ZINC000866401952 638815352 /nfs/dbraw/zinc/81/53/52/638815352.db2.gz FACFMJMAGQTPRS-APIJFGDWSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)[C@H]2CCC[C@@H]21 ZINC000866401957 638815492 /nfs/dbraw/zinc/81/54/92/638815492.db2.gz FACFMJMAGQTPRS-KBXIAJHMSA-N 2 0 268.470 2.592 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)c1nccn1C ZINC000866467928 638826278 /nfs/dbraw/zinc/82/62/78/638826278.db2.gz USUAXYUHOIFDHQ-MRXNPFEDSA-N 2 0 292.471 2.971 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000866467747 638826311 /nfs/dbraw/zinc/82/63/11/638826311.db2.gz PAOKKCQEKPIICA-MAUKXSAKSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc2n(n1)CCC2 ZINC000866518006 638834396 /nfs/dbraw/zinc/83/43/96/638834396.db2.gz QSOPTBPWNWONFY-CBCUQQMYSA-N 2 0 290.455 2.743 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517341 638834402 /nfs/dbraw/zinc/83/44/02/638834402.db2.gz HBCOFEYNLWAEST-HLIUYOAVSA-N 2 0 276.428 2.699 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000866562999 638845402 /nfs/dbraw/zinc/84/54/02/638845402.db2.gz IKSWXQJUYFSELW-RDGPPVDQSA-N 2 0 299.462 2.636 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704243 638868368 /nfs/dbraw/zinc/86/83/68/638868368.db2.gz RWJFHRNKVVAJAB-ZIAGYGMSSA-N 2 0 256.459 2.581 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000866621971 638856870 /nfs/dbraw/zinc/85/68/70/638856870.db2.gz KVAUIEGMKAQMBT-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP C(CC1CC1)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866665152 638862755 /nfs/dbraw/zinc/86/27/55/638862755.db2.gz CLXRGWNKGNAMDH-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCC(C)(C)CO1)CC[NH2+]CC2 ZINC000866667356 638863277 /nfs/dbraw/zinc/86/32/77/638863277.db2.gz KDJNZYQVXQYSOG-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP C(C[N@@H+]1CCC[C@H](OC2CCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000866697751 638867051 /nfs/dbraw/zinc/86/70/51/638867051.db2.gz XVJJIZJVOSFDQB-WBVHZDCISA-N 2 0 280.456 2.800 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1CC[C@@H]1CCC[NH2+]C1 ZINC000866701944 638867770 /nfs/dbraw/zinc/86/77/70/638867770.db2.gz SNHALFIZIPQNTJ-BBRMVZONSA-N 2 0 273.424 2.675 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CCN(CCC[NH+]2CCCCC2)C1 ZINC000866709735 638869735 /nfs/dbraw/zinc/86/97/35/638869735.db2.gz ZNMAKDMPNDMAQX-QGZVFWFLSA-N 3 0 281.488 2.559 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc2cc[nH]c2c1 ZINC000866717436 638869944 /nfs/dbraw/zinc/86/99/44/638869944.db2.gz FHPZLSNGWJNDML-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP CC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121671686 638883012 /nfs/dbraw/zinc/88/30/12/638883012.db2.gz PMBTUXFUESTTLG-UHFFFAOYSA-N 2 0 266.429 2.554 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1cccc(C[NH3+])c1 ZINC000867986866 638911091 /nfs/dbraw/zinc/91/10/91/638911091.db2.gz FVOYTLCPFCPBPD-MRXNPFEDSA-N 2 0 295.386 2.584 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1CCCOC1 ZINC000872017246 641548775 /nfs/dbraw/zinc/54/87/75/641548775.db2.gz XMJKTKWEXOQBBP-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](CN[C@H](C)c1cccc(O)c1F)C[NH+]1CCCC1 ZINC000872025882 641557296 /nfs/dbraw/zinc/55/72/96/641557296.db2.gz VIOMLRBEQZUSJS-CHWSQXEVSA-N 2 0 280.387 2.914 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872041733 641576731 /nfs/dbraw/zinc/57/67/31/641576731.db2.gz KPCKRVDGINLCPZ-CHWSQXEVSA-N 2 0 298.402 2.539 20 0 CFADRP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)C[NH+](C)C ZINC000872073967 641606020 /nfs/dbraw/zinc/60/60/20/641606020.db2.gz ULQXQDXOFMCPTC-QWRGUYRKSA-N 2 0 254.340 2.895 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)[C@H]1CCCOC1 ZINC000872079500 641612586 /nfs/dbraw/zinc/61/25/86/641612586.db2.gz NTVXAYXNAHQHBU-HOCLYGCPSA-N 2 0 273.380 2.629 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(O)c1F ZINC000872080767 641614542 /nfs/dbraw/zinc/61/45/42/641614542.db2.gz ZLJRKLLGFSCGOK-QWHCGFSZSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(O)c1F ZINC000872085481 641619331 /nfs/dbraw/zinc/61/93/31/641619331.db2.gz ZCGLXELRPWCIED-SDDRHHMPSA-N 2 0 266.360 2.522 20 0 CFADRP COCC[C@@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872099272 641628760 /nfs/dbraw/zinc/62/87/60/641628760.db2.gz BIBPMXMSVKKESN-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC(C)C)CCC2)[C@@H](C)C1 ZINC000872116364 641646953 /nfs/dbraw/zinc/64/69/53/641646953.db2.gz KSWDUJWLYAWLDC-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP c1cnc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000872124409 641652423 /nfs/dbraw/zinc/65/24/23/641652423.db2.gz MTPBMOLDPJCVRL-JKSUJKDBSA-N 2 0 281.403 2.951 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(Nc3ccccc3)C2)[C@@H](C)C1 ZINC000872132925 641660392 /nfs/dbraw/zinc/66/03/92/641660392.db2.gz LWSOCOLELBNUAU-IWCVFHTOSA-N 2 0 287.451 2.949 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC000872134519 641662583 /nfs/dbraw/zinc/66/25/83/641662583.db2.gz WSUYLLQJZCHBEO-YESZJQIVSA-N 2 0 290.451 2.961 20 0 CFADRP FC(F)(F)c1coc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000872143328 641669935 /nfs/dbraw/zinc/66/99/35/641669935.db2.gz ORFSNMRQSOLDNE-UHFFFAOYSA-N 2 0 288.313 2.874 20 0 CFADRP Cc1ccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])c(F)c1 ZINC000872155461 641675813 /nfs/dbraw/zinc/67/58/13/641675813.db2.gz SSZZDNLTXXKGRB-UHFFFAOYSA-N 2 0 295.402 2.524 20 0 CFADRP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155655 641677018 /nfs/dbraw/zinc/67/70/18/641677018.db2.gz XPRAKUGQJFHNMT-OAHLLOKOSA-N 2 0 291.439 2.773 20 0 CFADRP CO[C@@H](C[N@H+](C)CCCCCC[NH3+])C1CCCC1 ZINC000872158054 641677559 /nfs/dbraw/zinc/67/75/59/641677559.db2.gz SHGSARMLVQPHGB-HNNXBMFYSA-N 2 0 256.434 2.643 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2ccno2)C1)C1CCCC1 ZINC000872156466 641677839 /nfs/dbraw/zinc/67/78/39/641677839.db2.gz JZJCOVQYSYHTTP-XJKSGUPXSA-N 2 0 277.412 2.794 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1)C1CCCC1 ZINC000872156771 641678008 /nfs/dbraw/zinc/67/80/08/641678008.db2.gz MEBSEUXWZVPVSI-HLLBOEOZSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872158275 641679771 /nfs/dbraw/zinc/67/97/71/641679771.db2.gz UPLOKHVLNCRJQO-JFIYKMOQSA-N 3 0 293.499 2.606 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000872250890 641717759 /nfs/dbraw/zinc/71/77/59/641717759.db2.gz DGDFQOKBPVLTSG-LBPRGKRZSA-N 2 0 267.442 2.628 20 0 CFADRP c1ccc(N2CCN(c3cc[nH+]cc3C3CC3)CC2)nc1 ZINC000872387016 641786113 /nfs/dbraw/zinc/78/61/13/641786113.db2.gz CKCDYFPEUQPAGR-UHFFFAOYSA-N 2 0 280.375 2.681 20 0 CFADRP c1cc(NCC2CC[NH+](C3CC3)CC2)c(C2CC2)c[nH+]1 ZINC000872522535 641843792 /nfs/dbraw/zinc/84/37/92/641843792.db2.gz FJVRJQAZMLXVTG-UHFFFAOYSA-N 2 0 271.408 2.667 20 0 CFADRP COCC(C)(C)[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872574287 641862346 /nfs/dbraw/zinc/86/23/46/641862346.db2.gz BWQLQMLHJLARCJ-UHFFFAOYSA-N 2 0 289.423 2.506 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1Cl ZINC000872779624 641933599 /nfs/dbraw/zinc/93/35/99/641933599.db2.gz HLZZBHMUTYWHJR-NWDGAFQWSA-N 2 0 265.788 2.716 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1Cl ZINC000872779626 641933724 /nfs/dbraw/zinc/93/37/24/641933724.db2.gz HLZZBHMUTYWHJR-VXGBXAGGSA-N 2 0 265.788 2.716 20 0 CFADRP CCOc1cccc(F)c1C[NH2+]CCCC[NH+](C)C ZINC000873029331 641989252 /nfs/dbraw/zinc/98/92/52/641989252.db2.gz CQMGEIKOSIVGRS-UHFFFAOYSA-N 2 0 268.376 2.656 20 0 CFADRP CC(C)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873203334 642066544 /nfs/dbraw/zinc/06/65/44/642066544.db2.gz YKGBIUFAKFQAHY-UHFFFAOYSA-N 2 0 250.411 2.767 20 0 CFADRP c1csc(CC[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873211184 642068659 /nfs/dbraw/zinc/06/86/59/642068659.db2.gz JMPVKWYCRUJRLW-UHFFFAOYSA-N 2 0 278.446 2.788 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000873221044 642073841 /nfs/dbraw/zinc/07/38/41/642073841.db2.gz YNGHVEBHIKOBQN-SNVBAGLBSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873220251 642074314 /nfs/dbraw/zinc/07/43/14/642074314.db2.gz HUKGGTPWYXLEJM-UHOFOFEASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)C1CC[NH2+]CC1 ZINC000873220786 642074352 /nfs/dbraw/zinc/07/43/52/642074352.db2.gz TUNOUAREOOACML-AWEZNQCLSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000873220627 642074455 /nfs/dbraw/zinc/07/44/55/642074455.db2.gz PUDKPKMUZYUFQN-OLZOCXBDSA-N 2 0 264.388 2.907 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222301 642074756 /nfs/dbraw/zinc/07/47/56/642074756.db2.gz LNNMHZNOTQHUHR-LBPRGKRZSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873221655 642074783 /nfs/dbraw/zinc/07/47/83/642074783.db2.gz ZTIMRUMPTNBOCO-HIFRSBDPSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873221657 642075592 /nfs/dbraw/zinc/07/55/92/642075592.db2.gz ZTIMRUMPTNBOCO-UKRRQHHQSA-N 2 0 274.408 2.530 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000873223591 642075970 /nfs/dbraw/zinc/07/59/70/642075970.db2.gz OPTFVZYGIUBCLQ-MRXNPFEDSA-N 2 0 278.444 2.661 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000873223744 642076150 /nfs/dbraw/zinc/07/61/50/642076150.db2.gz RRCPMPJYUFFCLI-MJBXVCDLSA-N 2 0 262.397 2.734 20 0 CFADRP COCCC1([NH2+]C[C@@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000873225481 642077640 /nfs/dbraw/zinc/07/76/40/642077640.db2.gz ZPUOHALWVUXLFJ-OAHLLOKOSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)C[N@@H+](Cc1cnc(N)s1)CC1CC[NH+](C)CC1 ZINC000873223956 642078090 /nfs/dbraw/zinc/07/80/90/642078090.db2.gz VRSOEMPHWDLBSQ-UHFFFAOYSA-N 2 0 296.484 2.525 20 0 CFADRP COCCC1([NH2+]C[C@H]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000873224553 642078127 /nfs/dbraw/zinc/07/81/27/642078127.db2.gz FOPGKKJTLJFIAA-LSDHHAIUSA-N 2 0 268.445 2.561 20 0 CFADRP COCCC1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000873224916 642078661 /nfs/dbraw/zinc/07/86/61/642078661.db2.gz KVVVKJXKGHVVQS-IRXDYDNUSA-N 2 0 288.435 2.538 20 0 CFADRP CC[C@H]1CCC[C@H](C[NH2+]C2(CCOC)CC[NH2+]CC2)C1 ZINC000873225176 642078773 /nfs/dbraw/zinc/07/87/73/642078773.db2.gz SIIGQCKPGDHKES-HOTGVXAUSA-N 2 0 282.472 2.951 20 0 CFADRP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@]1(C)CC[NH2+]C1 ZINC000873225563 642079220 /nfs/dbraw/zinc/07/92/20/642079220.db2.gz SUBMFMMFVGXZHR-MRXNPFEDSA-N 2 0 257.381 2.599 20 0 CFADRP CCCc1cccc(C[NH2+]C2(CCOC)CC[NH2+]CC2)c1 ZINC000873225725 642079476 /nfs/dbraw/zinc/07/94/76/642079476.db2.gz YMDWPPKOSMLOOE-UHFFFAOYSA-N 2 0 290.451 2.887 20 0 CFADRP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@]1(C)CC[NH2+]C1 ZINC000873225562 642080153 /nfs/dbraw/zinc/08/01/53/642080153.db2.gz SUBMFMMFVGXZHR-INIZCTEOSA-N 2 0 257.381 2.599 20 0 CFADRP C([NH2+][C@@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCSC1 ZINC000873232789 642086661 /nfs/dbraw/zinc/08/66/61/642086661.db2.gz LRZQCNBEVPQAHG-ZIAGYGMSSA-N 2 0 268.470 2.642 20 0 CFADRP CC(C)n1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873232870 642087301 /nfs/dbraw/zinc/08/73/01/642087301.db2.gz PBJAQXDTHSRHSE-MRXNPFEDSA-N 2 0 290.455 2.866 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000873235294 642088295 /nfs/dbraw/zinc/08/82/95/642088295.db2.gz KQTAEKHPSCSNBP-WBVHZDCISA-N 2 0 258.409 2.857 20 0 CFADRP COC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000873244182 642091691 /nfs/dbraw/zinc/09/16/91/642091691.db2.gz JOZCGQHIESMKEH-JKSUJKDBSA-N 2 0 276.424 2.742 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000873244180 642092365 /nfs/dbraw/zinc/09/23/65/642092365.db2.gz JOZCGQHIESMKEH-HOTGVXAUSA-N 2 0 276.424 2.742 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000873248837 642095777 /nfs/dbraw/zinc/09/57/77/642095777.db2.gz FGGGZMZUZMGYMX-CLWVCHIJSA-N 2 0 274.408 2.559 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873250277 642096436 /nfs/dbraw/zinc/09/64/36/642096436.db2.gz GCPVTNDSMQZAIL-VNHYZAJKSA-N 2 0 260.381 2.536 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000873249899 642096935 /nfs/dbraw/zinc/09/69/35/642096935.db2.gz NHTZZNSJXIGGAH-SFDCQRBFSA-N 2 0 292.423 2.523 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C(F)(F)F ZINC000873251344 642097971 /nfs/dbraw/zinc/09/79/71/642097971.db2.gz WDSXTGHYCUBDNA-IJLUTSLNSA-N 2 0 296.377 2.697 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254021 642099690 /nfs/dbraw/zinc/09/96/90/642099690.db2.gz JFLSXWCZLWGHGJ-XPKDYRNWSA-N 2 0 284.407 2.569 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253743 642099868 /nfs/dbraw/zinc/09/98/68/642099868.db2.gz DJMFSTVLYHCKDD-PWNZVWSESA-N 2 0 262.397 2.514 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253741 642100097 /nfs/dbraw/zinc/10/00/97/642100097.db2.gz DJMFSTVLYHCKDD-BHPKHCPMSA-N 2 0 262.397 2.514 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000873254211 642100115 /nfs/dbraw/zinc/10/01/15/642100115.db2.gz NLBXSLSAFXXVCN-FOGDFJRCSA-N 2 0 288.313 2.973 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000873254936 642100696 /nfs/dbraw/zinc/10/06/96/642100696.db2.gz BTDQQPVEQBCPDV-CSMYWGQOSA-N 2 0 285.366 2.637 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000873255395 642101193 /nfs/dbraw/zinc/10/11/93/642101193.db2.gz FTUNOZOQTKCZBZ-CKYFFXLPSA-N 2 0 268.401 2.936 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000873255771 642101916 /nfs/dbraw/zinc/10/19/16/642101916.db2.gz JXQIVFCKZQJDJQ-VCOSZWKGSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CC3 ZINC000873256777 642102868 /nfs/dbraw/zinc/10/28/68/642102868.db2.gz NXSNWDFUBHCSBM-MGPQQGTHSA-N 2 0 283.419 2.661 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259270 642104599 /nfs/dbraw/zinc/10/45/99/642104599.db2.gz BCDJZXXBSMBARW-GUSZCTEKSA-N 2 0 256.393 2.794 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260146 642105211 /nfs/dbraw/zinc/10/52/11/642105211.db2.gz UBADCBOEEXYXIX-UTNFCUCBSA-N 2 0 274.383 2.933 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCSCC1 ZINC000873260657 642105324 /nfs/dbraw/zinc/10/53/24/642105324.db2.gz FJWGBUJIXMOQGG-RJZRQDKASA-N 2 0 268.470 2.638 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000873260490 642105628 /nfs/dbraw/zinc/10/56/28/642105628.db2.gz BQVQYVAJXVVKQS-FWXGHANASA-N 2 0 250.430 2.931 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261992 642106445 /nfs/dbraw/zinc/10/64/45/642106445.db2.gz UXDVPMUYJBAJKH-KHMAMNHCSA-N 2 0 250.430 2.931 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000873263791 642107014 /nfs/dbraw/zinc/10/70/14/642107014.db2.gz KFZNTIJBRWGIGT-QEOTZNIISA-N 2 0 292.467 2.844 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000873264380 642107097 /nfs/dbraw/zinc/10/70/97/642107097.db2.gz OQSWPFHFTAFLKI-GTDBDLECSA-N 2 0 250.430 2.931 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873266718 642110117 /nfs/dbraw/zinc/11/01/17/642110117.db2.gz POUAQTUEXWCOLR-HCXYKTFWSA-N 2 0 299.462 2.683 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000873267451 642110311 /nfs/dbraw/zinc/11/03/11/642110311.db2.gz CROGVGGLIAVZOD-CHWSQXEVSA-N 2 0 274.408 2.756 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccnc1Cl ZINC000873268028 642111269 /nfs/dbraw/zinc/11/12/69/642111269.db2.gz PINKMVNAUBKVHY-GHMZBOCLSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCNc2ccccc21)C1CC[NH2+]CC1 ZINC000873269765 642111889 /nfs/dbraw/zinc/11/18/89/642111889.db2.gz SZSVETZMWMMUMS-DYVFJYSZSA-N 2 0 273.424 2.911 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1CCCF)C1CC[NH2+]CC1 ZINC000873269514 642111904 /nfs/dbraw/zinc/11/19/04/642111904.db2.gz QULWZYYRKOZRNC-VHDGCEQUSA-N 2 0 256.409 2.883 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000873271954 642113765 /nfs/dbraw/zinc/11/37/65/642113765.db2.gz NITVDTXJDIFLTA-BLLLJJGKSA-N 2 0 279.403 2.896 20 0 CFADRP C[C@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000873274458 642114289 /nfs/dbraw/zinc/11/42/89/642114289.db2.gz VFPKRQUVCPHWCJ-BMGDILEWSA-N 2 0 287.451 2.913 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000873280899 642117041 /nfs/dbraw/zinc/11/70/41/642117041.db2.gz DWPLWRLFGPZGLE-HOCLYGCPSA-N 2 0 278.440 2.597 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289540 642122264 /nfs/dbraw/zinc/12/22/64/642122264.db2.gz JGMUNPCBLRNQQM-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873290606 642122885 /nfs/dbraw/zinc/12/28/85/642122885.db2.gz AROMTBGZYAYRQO-GJZGRUSLSA-N 2 0 294.464 2.948 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290659 642122987 /nfs/dbraw/zinc/12/29/87/642122987.db2.gz FMUSVQXDSKKCEJ-JYJNAYRXSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290986 642123281 /nfs/dbraw/zinc/12/32/81/642123281.db2.gz HOTSVLVVIBHKHT-PMPSAXMXSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291723 642123743 /nfs/dbraw/zinc/12/37/43/642123743.db2.gz IOLXHAOJDBNZKM-ZNMIVQPWSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291720 642123982 /nfs/dbraw/zinc/12/39/82/642123982.db2.gz IOLXHAOJDBNZKM-KFWWJZLASA-N 2 0 280.456 2.559 20 0 CFADRP CCCCC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291860 642124017 /nfs/dbraw/zinc/12/40/17/642124017.db2.gz YPRFXZXEOINGDW-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP CCCC[C@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291777 642124166 /nfs/dbraw/zinc/12/41/66/642124166.db2.gz XSKYDVOUFZMCTA-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291978 642124206 /nfs/dbraw/zinc/12/42/06/642124206.db2.gz JRBWPUZJVMLYKZ-YLFCFFPRSA-N 2 0 294.483 2.950 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293076 642124996 /nfs/dbraw/zinc/12/49/96/642124996.db2.gz XJIFEDCMGPKQRR-XHSDSOJGSA-N 2 0 282.472 2.950 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000873294956 642125456 /nfs/dbraw/zinc/12/54/56/642125456.db2.gz WPMILPVVPGDSMM-HZPDHXFCSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000873294954 642126028 /nfs/dbraw/zinc/12/60/28/642126028.db2.gz WPMILPVVPGDSMM-CVEARBPZSA-N 2 0 280.456 2.704 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294095 642126044 /nfs/dbraw/zinc/12/60/44/642126044.db2.gz SOUBANFUMXNGLT-XHSDSOJGSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1nccnc1[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000873295807 642126462 /nfs/dbraw/zinc/12/64/62/642126462.db2.gz QJXOSVFWQIMCOB-AEGPPILISA-N 2 0 276.428 2.746 20 0 CFADRP c1ccc(NC2CC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000873296253 642127515 /nfs/dbraw/zinc/12/75/15/642127515.db2.gz WBBRCTCZTZFHSS-DMEZWZDQSA-N 2 0 285.435 2.607 20 0 CFADRP CSC(C)(C)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000876596141 642938862 /nfs/dbraw/zinc/93/88/62/642938862.db2.gz FHYJWAUMRKMCHQ-ZDUSSCGKSA-N 2 0 258.475 2.792 20 0 CFADRP C[C@H]1C[N@H+](CC2(C)CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000876781344 643007694 /nfs/dbraw/zinc/00/76/94/643007694.db2.gz GJLVHFFPQKRVEN-IRXDYDNUSA-N 2 0 293.499 2.525 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000126205933 643048042 /nfs/dbraw/zinc/04/80/42/643048042.db2.gz AHGBRFGZSUTFQP-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877019113 643106457 /nfs/dbraw/zinc/10/64/57/643106457.db2.gz GPRZRNHBBOTUNG-UHFFFAOYSA-N 2 0 281.831 2.744 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000877143646 643175932 /nfs/dbraw/zinc/17/59/32/643175932.db2.gz UMPMIOFVWLEBCB-KUHUBIRLSA-N 2 0 290.388 2.785 20 0 CFADRP CC(C)(C[NH2+]C[C@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000877473321 643291844 /nfs/dbraw/zinc/29/18/44/643291844.db2.gz GQQRYZKLDBIRRD-LLVKDONJSA-N 2 0 279.255 2.892 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000877528470 643333081 /nfs/dbraw/zinc/33/30/81/643333081.db2.gz BDQYPRSOLBFQNV-CHWSQXEVSA-N 2 0 291.266 2.844 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC1CCSCC1)CC2 ZINC000877683420 643452154 /nfs/dbraw/zinc/45/21/54/643452154.db2.gz ATBNUGHMCOKONA-UHFFFAOYSA-N 2 0 282.497 2.937 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(F)cn1)CC2 ZINC000877683992 643452395 /nfs/dbraw/zinc/45/23/95/643452395.db2.gz MGRMSDWKYUCUKI-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cn1 ZINC000877684504 643453046 /nfs/dbraw/zinc/45/30/46/643453046.db2.gz PIYRRQDEUGZSTC-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684153 643453398 /nfs/dbraw/zinc/45/33/98/643453398.db2.gz JASMWEXPJRRSFY-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP COc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)sn1 ZINC000877696998 643459266 /nfs/dbraw/zinc/45/92/66/643459266.db2.gz DVSHPOUGBHLTQG-UHFFFAOYSA-N 2 0 297.468 2.752 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738539 643503145 /nfs/dbraw/zinc/50/31/45/643503145.db2.gz CDGRCLFIZIOWOI-RDJZCZTQSA-N 2 0 258.409 2.829 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877739171 643503666 /nfs/dbraw/zinc/50/36/66/643503666.db2.gz FNJNIAFOSBPAAZ-KBAYOESNSA-N 2 0 272.436 2.891 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877744893 643525024 /nfs/dbraw/zinc/52/50/24/643525024.db2.gz YSGQWEIMMMVRPS-IRXDYDNUSA-N 2 0 258.409 2.829 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CC1(F)CC1 ZINC000877767261 643546244 /nfs/dbraw/zinc/54/62/44/643546244.db2.gz DXUKQVJAEKTZOK-UHFFFAOYSA-N 2 0 256.409 2.788 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC=CO1 ZINC000877767351 643547025 /nfs/dbraw/zinc/54/70/25/643547025.db2.gz FMFXXCXNUNCOTJ-QGZVFWFLSA-N 2 0 280.456 2.979 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000877767380 643547245 /nfs/dbraw/zinc/54/72/45/643547245.db2.gz GQSUGAGIIYQSRH-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000877794468 643559538 /nfs/dbraw/zinc/55/95/38/643559538.db2.gz LPYSTEFFYQXINI-MRXNPFEDSA-N 2 0 280.456 2.896 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000089749213 650853661 /nfs/dbraw/zinc/85/36/61/650853661.db2.gz ZRZWYAAVBBKUGY-LBPRGKRZSA-N 2 0 297.240 2.881 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000878016892 643694749 /nfs/dbraw/zinc/69/47/49/643694749.db2.gz AJJAXHZFPKFPBP-OKZBNKHCSA-N 2 0 294.483 2.855 20 0 CFADRP CCOC(CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)OCC ZINC000126844494 643696348 /nfs/dbraw/zinc/69/63/48/643696348.db2.gz UBNMVBJCEQTZNU-GJZGRUSLSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878048128 643712793 /nfs/dbraw/zinc/71/27/93/643712793.db2.gz PJJXJUDIGLWCLK-UHFFFAOYSA-N 2 0 296.377 2.965 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878155774 643764612 /nfs/dbraw/zinc/76/46/12/643764612.db2.gz DRPVOETYZOCRDE-DLBZAZTESA-N 2 0 292.467 2.609 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878159091 643766093 /nfs/dbraw/zinc/76/60/93/643766093.db2.gz DNTHSPBXAQLNCB-VVLHAWIVSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878159090 643766730 /nfs/dbraw/zinc/76/67/30/643766730.db2.gz DNTHSPBXAQLNCB-QAETUUGQSA-N 2 0 280.456 2.608 20 0 CFADRP C=C/C=C/CC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000878159530 643767544 /nfs/dbraw/zinc/76/75/44/643767544.db2.gz YOLYJCSAVVZLBI-WAVCKPEOSA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878164402 643771138 /nfs/dbraw/zinc/77/11/38/643771138.db2.gz GNLKPXSRFOLKLA-MRXNPFEDSA-N 2 0 280.456 2.894 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)O2)[C@@H](C)C1 ZINC000878258843 643810668 /nfs/dbraw/zinc/81/06/68/643810668.db2.gz VVQHNRCEPTYLTH-JYJNAYRXSA-N 2 0 280.456 2.750 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1CC2(CCC2)C1 ZINC000878288436 643823155 /nfs/dbraw/zinc/82/31/55/643823155.db2.gz WXGJWRHPALPFGX-BRWVUGGUSA-N 2 0 292.467 2.750 20 0 CFADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878410753 643880613 /nfs/dbraw/zinc/88/06/13/643880613.db2.gz ATJPZXQRRJDXNQ-YQQAZPJKSA-N 2 0 282.472 2.636 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878513182 643921987 /nfs/dbraw/zinc/92/19/87/643921987.db2.gz XIFRUENGJUQWHX-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878549943 643938255 /nfs/dbraw/zinc/93/82/55/643938255.db2.gz RVJGHKKCRXPFIF-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCC(C)(C)O3)C2)C1 ZINC000878651595 643975173 /nfs/dbraw/zinc/97/51/73/643975173.db2.gz FEDKEPXUMMWXRI-RDJZCZTQSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](C)CC(C)(C)C)CC1 ZINC000878667845 643984186 /nfs/dbraw/zinc/98/41/86/643984186.db2.gz CSJNMNFXDLPTSB-OAHLLOKOSA-N 2 0 284.488 2.884 20 0 CFADRP OCCCCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743363 644012668 /nfs/dbraw/zinc/01/26/68/644012668.db2.gz FDUOVNZYDOVWIF-UHFFFAOYSA-N 2 0 291.439 2.537 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC(C)(C)CO1)CC2 ZINC000879250958 644194868 /nfs/dbraw/zinc/19/48/68/644194868.db2.gz NOFVPSHFQXSABR-OAHLLOKOSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1C[C@H]3CCC[C@H]3O1)CC2 ZINC000879250255 644194944 /nfs/dbraw/zinc/19/49/44/644194944.db2.gz AJAOGQNGCLVFBV-IXDOHACOSA-N 2 0 292.467 2.752 20 0 CFADRP C[N@H+](Cc1ccn(-c2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000091846755 650910145 /nfs/dbraw/zinc/91/01/45/650910145.db2.gz BUDTVUPUPOQYOW-UHFFFAOYSA-N 2 0 284.407 2.574 20 0 CFADRP COc1ccc(C)cc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847507 650910480 /nfs/dbraw/zinc/91/04/80/650910480.db2.gz IOPFUOCLQXRNKE-UHFFFAOYSA-N 2 0 262.397 2.705 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000879582539 644338821 /nfs/dbraw/zinc/33/88/21/644338821.db2.gz SHEKPRITGHNMKQ-WBVHZDCISA-N 2 0 276.399 2.784 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC000879582536 644339451 /nfs/dbraw/zinc/33/94/51/644339451.db2.gz SHEKPRITGHNMKQ-RDJZCZTQSA-N 2 0 276.399 2.784 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccsc3)CC[C@@H]21 ZINC000879583764 644339490 /nfs/dbraw/zinc/33/94/90/644339490.db2.gz ZZVYULQMFBXKKN-GJZGRUSLSA-N 2 0 264.438 2.707 20 0 CFADRP C[C@H]([NH2+]CCCc1cncn1C)c1cc2cnccc2o1 ZINC000879715005 644394007 /nfs/dbraw/zinc/39/40/07/644394007.db2.gz NGICVNZGWDEGDT-LBPRGKRZSA-N 2 0 284.363 2.845 20 0 CFADRP CCCCC[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128234618 644547833 /nfs/dbraw/zinc/54/78/33/644547833.db2.gz QMRPSSCKIPHNPY-INIZCTEOSA-N 2 0 269.477 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000093209792 650934633 /nfs/dbraw/zinc/93/46/33/650934633.db2.gz BLQFQZUPXHIICM-WMZOPIPTSA-N 2 0 287.451 2.511 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000093215322 650935496 /nfs/dbraw/zinc/93/54/96/650935496.db2.gz XYKWNKSXXIEBPS-DLOVCJGASA-N 2 0 253.415 2.680 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CCC(OC)OC)CC1 ZINC000880254867 644615025 /nfs/dbraw/zinc/61/50/25/644615025.db2.gz QJNJCMZUTXCWOT-UHFFFAOYSA-N 2 0 298.471 2.726 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)c1ccccc1 ZINC000880372107 644673701 /nfs/dbraw/zinc/67/37/01/644673701.db2.gz SFUDCVUUNDXYEE-ROUUACIJSA-N 2 0 290.451 2.699 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000093491514 650941695 /nfs/dbraw/zinc/94/16/95/650941695.db2.gz YWDKUIRSBHIFRX-MELADBBJSA-N 2 0 279.453 2.586 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c2ccccc12 ZINC000094692738 650961657 /nfs/dbraw/zinc/96/16/57/650961657.db2.gz ATNFCYSBIRCYNA-ZDUSSCGKSA-N 2 0 270.376 2.629 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(-c2ccccc2)c1 ZINC000128934525 644952492 /nfs/dbraw/zinc/95/24/92/644952492.db2.gz CHVJYKYJMKGRNY-IUDNXUCKSA-N 2 0 284.407 2.793 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250098525 650971295 /nfs/dbraw/zinc/97/12/95/650971295.db2.gz VJCVKKNSKRXOLB-UKRRQHHQSA-N 2 0 264.438 2.755 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000250340455 650973544 /nfs/dbraw/zinc/97/35/44/650973544.db2.gz CAUZWELPDLZSON-BRWVUGGUSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000251117096 650984007 /nfs/dbraw/zinc/98/40/07/650984007.db2.gz QEJFLOPCFCTTLO-BRSBDYLESA-N 2 0 293.499 2.761 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOc2ccccc2C)CC1 ZINC000129972519 645438112 /nfs/dbraw/zinc/43/81/12/645438112.db2.gz VMPKNVDZQVRSHP-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130550784 645521431 /nfs/dbraw/zinc/52/14/31/645521431.db2.gz UNMPWTJQASGQAL-UAGQMJEPSA-N 2 0 274.408 2.645 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882960198 645530033 /nfs/dbraw/zinc/53/00/33/645530033.db2.gz CNNDWGJCEYCPAR-SCAQPMJSSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883028763 645570462 /nfs/dbraw/zinc/57/04/62/645570462.db2.gz UEIQENHCSLJALN-SJORKVTESA-N 2 0 288.435 2.722 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883028762 645570715 /nfs/dbraw/zinc/57/07/15/645570715.db2.gz UEIQENHCSLJALN-IRXDYDNUSA-N 2 0 288.435 2.722 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCSC1 ZINC000252981027 651031113 /nfs/dbraw/zinc/03/11/13/651031113.db2.gz PHKKVEPOQHZFKY-RDBSUJKOSA-N 2 0 256.459 2.782 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883034243 645574241 /nfs/dbraw/zinc/57/42/41/645574241.db2.gz ORSIFASSOSBYLI-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883049880 645582144 /nfs/dbraw/zinc/58/21/44/645582144.db2.gz XTDICDWHYADENC-QJESEZNXSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000130902621 645589807 /nfs/dbraw/zinc/58/98/07/645589807.db2.gz ASKCIYGDXNUAAG-VXGBXAGGSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131038707 645611043 /nfs/dbraw/zinc/61/10/43/645611043.db2.gz PJXHIHXFUCCTBR-QWHCGFSZSA-N 2 0 258.365 2.992 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000131034863 645611233 /nfs/dbraw/zinc/61/12/33/645611233.db2.gz XQIOPZWQSSQVQQ-LBPRGKRZSA-N 2 0 258.365 2.992 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc2c1CCOC2)C1CC1 ZINC000883140202 645623030 /nfs/dbraw/zinc/62/30/30/645623030.db2.gz MFLCIHLYRKEPKJ-UHFFFAOYSA-N 2 0 288.435 2.723 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCSC2)CC1 ZINC000131150793 645637194 /nfs/dbraw/zinc/63/71/94/645637194.db2.gz HISXFCHDZJYBCY-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883207280 645664905 /nfs/dbraw/zinc/66/49/05/645664905.db2.gz KBMVWXLSFVXWIO-BRWVUGGUSA-N 2 0 292.467 2.677 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)CC[C@H]1C ZINC000883217193 645671026 /nfs/dbraw/zinc/67/10/26/645671026.db2.gz DHYABTNQHUGVEJ-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CN(C)c1ccncc1C[NH2+]CC1(CC2CC2)CC1 ZINC000883249031 645696597 /nfs/dbraw/zinc/69/65/97/645696597.db2.gz QGJCCIFVWIGQAO-UHFFFAOYSA-N 2 0 259.397 2.818 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1C[NH3+] ZINC000253185300 651039310 /nfs/dbraw/zinc/03/93/10/651039310.db2.gz HZPLSUBFHKBDJB-CZUORRHYSA-N 2 0 288.435 2.817 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)n(-c2cc[nH+]cc2)n1 ZINC000883319839 645737637 /nfs/dbraw/zinc/73/76/37/645737637.db2.gz RNJPOEJMROKLQO-RRQGHBQHSA-N 2 0 282.391 2.936 20 0 CFADRP C[C@H]([NH2+]Cc1cc(O)ccc1Cl)C1CC[NH+](C)CC1 ZINC000883326069 645742200 /nfs/dbraw/zinc/74/22/00/645742200.db2.gz RMTGBKANFQUROO-NSHDSACASA-N 2 0 282.815 2.866 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000131544092 645744127 /nfs/dbraw/zinc/74/41/27/645744127.db2.gz XMTRDEKBTNDKGO-VWYCJHECSA-N 2 0 254.324 2.695 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)OCCc3ccccc32)CC[N@@H+]1C ZINC000883340658 645750678 /nfs/dbraw/zinc/75/06/78/645750678.db2.gz WBBBMPIRGFXMSH-QGPMSJSTSA-N 2 0 288.435 2.547 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCSC2)CC1 ZINC000131600656 645755595 /nfs/dbraw/zinc/75/55/95/645755595.db2.gz WQVBPSJVBBDIPZ-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC2(CCC2)O1 ZINC000883355968 645761992 /nfs/dbraw/zinc/76/19/92/645761992.db2.gz BDRLVODYVLWJCI-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883415563 645808621 /nfs/dbraw/zinc/80/86/21/645808621.db2.gz YXKWPIDZLVVGAG-KRWDZBQOSA-N 2 0 280.456 2.515 20 0 CFADRP C[N@H+](CCC[NH3+])C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883417667 645810730 /nfs/dbraw/zinc/81/07/30/645810730.db2.gz ITBWZDYYQFCQQR-HZPDHXFCSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000883417297 645811531 /nfs/dbraw/zinc/81/15/31/645811531.db2.gz VXTGVLPIXCZPKE-DGCLKSJQSA-N 2 0 260.372 2.871 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883418356 645812546 /nfs/dbraw/zinc/81/25/46/645812546.db2.gz FVHWIJLORHWVCF-ZACQAIPSSA-N 2 0 276.424 2.870 20 0 CFADRP FC1(F)CCC[C@H]1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424069 645817440 /nfs/dbraw/zinc/81/74/40/645817440.db2.gz DTKLEGGIDMOOSV-ZDUSSCGKSA-N 2 0 272.383 2.887 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883425041 645819588 /nfs/dbraw/zinc/81/95/88/645819588.db2.gz KBWCNALXGWBWGT-PQEBFOHHSA-N 2 0 274.408 2.576 20 0 CFADRP CC1([NH3+])CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883425983 645820127 /nfs/dbraw/zinc/82/01/27/645820127.db2.gz GGHYUOVVQIPFRB-HZPDHXFCSA-N 2 0 274.408 2.720 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883427025 645820586 /nfs/dbraw/zinc/82/05/86/645820586.db2.gz GPVJNCFYRMWPLE-JQHSSLGASA-N 2 0 288.435 2.968 20 0 CFADRP CC1([NH3+])CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883425982 645820765 /nfs/dbraw/zinc/82/07/65/645820765.db2.gz GGHYUOVVQIPFRB-HOTGVXAUSA-N 2 0 274.408 2.720 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+][C@@H](CN)C2CCCCC2)O1 ZINC000883429899 645823818 /nfs/dbraw/zinc/82/38/18/645823818.db2.gz HSKFEGDQOSBCIN-GJZGRUSLSA-N 2 0 268.445 2.831 20 0 CFADRP NC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)C1CCCCC1 ZINC000883429616 645823926 /nfs/dbraw/zinc/82/39/26/645823926.db2.gz AJEHNJBLWHZRGR-GJZGRUSLSA-N 2 0 266.429 2.585 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883430523 645824416 /nfs/dbraw/zinc/82/44/16/645824416.db2.gz WWUIZGCCMBDMQE-NDBYEHHHSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883434963 645828087 /nfs/dbraw/zinc/82/80/87/645828087.db2.gz GKXBUQPUCFSGMI-MWQQHZPXSA-N 2 0 274.408 2.718 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000883435268 645829114 /nfs/dbraw/zinc/82/91/14/645829114.db2.gz NRSPRUWQGNMDGT-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP CC1(C)CC[NH2+]CCN1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883439307 645831838 /nfs/dbraw/zinc/83/18/38/645831838.db2.gz OHBFJLNDTVPXOZ-DLBZAZTESA-N 2 0 288.435 2.981 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1ccccc1Br ZINC000883441672 645834914 /nfs/dbraw/zinc/83/49/14/645834914.db2.gz VDEUHLNWHXUFIW-OLZOCXBDSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000883459557 645843735 /nfs/dbraw/zinc/84/37/35/645843735.db2.gz AWBCWAVPDPMKLL-RDJZCZTQSA-N 2 0 258.409 2.997 20 0 CFADRP Fc1cc2c(cc1F)C[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000883461636 645844462 /nfs/dbraw/zinc/84/44/62/645844462.db2.gz ZEDAYWPTXYZXAF-UHFFFAOYSA-N 2 0 280.362 2.713 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000132091338 645876779 /nfs/dbraw/zinc/87/67/79/645876779.db2.gz DSBYVHPIWJPZFH-ZFWWWQNUSA-N 2 0 262.397 2.736 20 0 CFADRP CC(C)[C@@H](C(=O)OCCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000800171211 646167749 /nfs/dbraw/zinc/16/77/49/646167749.db2.gz AKRPGTVMZUCYLH-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP CC(C)[C@H](C(=O)OCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000800171649 646168152 /nfs/dbraw/zinc/16/81/52/646168152.db2.gz QXBKNVLXQSAITP-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP CC[NH+](CC)CCCOC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000800193251 646182132 /nfs/dbraw/zinc/18/21/32/646182132.db2.gz GKIXFEHOZVQKRJ-UHFFFAOYSA-N 2 0 298.471 2.915 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C/C=C\c1cccc(F)c1 ZINC000885954069 646781224 /nfs/dbraw/zinc/78/12/24/646781224.db2.gz MSXXHMMPEMFHSM-SCXUMTSISA-N 2 0 250.361 2.769 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885961388 646785195 /nfs/dbraw/zinc/78/51/95/646785195.db2.gz XBBHGSYZSMNWLL-QZTJIDSGSA-N 2 0 294.483 2.857 20 0 CFADRP C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886016521 646819136 /nfs/dbraw/zinc/81/91/36/646819136.db2.gz GLUSXDKIDRKQAD-RCCFBDPRSA-N 2 0 292.467 2.894 20 0 CFADRP C[C@@H](C[NH2+]C/C=C/c1cccc(F)c1)C[NH+](C)C ZINC000886122716 646881091 /nfs/dbraw/zinc/88/10/91/646881091.db2.gz IIAXVHBQTQBDQK-IYNGYCSASA-N 2 0 250.361 2.626 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@]12CCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127736 646885295 /nfs/dbraw/zinc/88/52/95/646885295.db2.gz RDNFHAGDMFXHJP-DFGXFYAUSA-N 2 0 292.467 2.656 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000886143090 646892911 /nfs/dbraw/zinc/89/29/11/646892911.db2.gz SSTAWGNEYAEWFE-GDBMZVCRSA-N 2 0 273.380 2.772 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886155749 646900028 /nfs/dbraw/zinc/90/00/28/646900028.db2.gz NMRNBHTTZGYPGD-IQLHRPHXSA-N 2 0 262.372 2.769 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC4(CCC4)CO3)C2)C1 ZINC000886217965 646925952 /nfs/dbraw/zinc/92/59/52/646925952.db2.gz LJHSHYWGMGQIGP-SJLPKXTDSA-N 2 0 292.467 2.753 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886305920 646960509 /nfs/dbraw/zinc/96/05/09/646960509.db2.gz UIPAZYOACMADKP-SJORKVTESA-N 2 0 292.467 2.753 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC[C@H](C3CC3)O1)CC2 ZINC000886305946 646960916 /nfs/dbraw/zinc/96/09/16/646960916.db2.gz VCFVXSGHIMHTRN-IAGOWNOFSA-N 2 0 292.467 2.752 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)CC1(C)C ZINC000886316437 646966964 /nfs/dbraw/zinc/96/69/64/646966964.db2.gz BLKBHBAZWNIWFR-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000886422653 646998918 /nfs/dbraw/zinc/99/89/18/646998918.db2.gz VSUUKXAQTFXPTL-ROUUACIJSA-N 2 0 292.467 2.544 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000886507688 647023637 /nfs/dbraw/zinc/02/36/37/647023637.db2.gz VGTWRNQYKQYKGQ-RDJZCZTQSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)[C@@](C)(O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886526071 647030213 /nfs/dbraw/zinc/03/02/13/647030213.db2.gz DQXIDODJBHIPEE-JCYILVPMSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@H](CCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886530863 647031791 /nfs/dbraw/zinc/03/17/91/647031791.db2.gz RWVQILCKWMAYIY-QQFBHYJXSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H](CCCCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617380 647070818 /nfs/dbraw/zinc/07/08/18/647070818.db2.gz LULBXLSFYYIXGL-KLAILNCOSA-N 2 0 282.472 2.924 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000886634368 647079947 /nfs/dbraw/zinc/07/99/47/647079947.db2.gz CBOSLKBQWRMOJK-CKDBGZEDSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1(CO)CC1 ZINC000886636275 647080795 /nfs/dbraw/zinc/08/07/95/647080795.db2.gz JTFJNEZYQULYEY-QQFBHYJXSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@@H](C)O1 ZINC000886644372 647084798 /nfs/dbraw/zinc/08/47/98/647084798.db2.gz BKPJTBLBYRPNEQ-UWEUSHKOSA-N 2 0 280.456 2.939 20 0 CFADRP Cc1ccc(F)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000220323958 647113514 /nfs/dbraw/zinc/11/35/14/647113514.db2.gz QGNOCROXUCSTHQ-UHFFFAOYSA-N 2 0 250.361 2.836 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000886715975 647120168 /nfs/dbraw/zinc/12/01/68/647120168.db2.gz KQMDDCDKKWZMAG-KKUMJFAQSA-N 2 0 268.445 2.512 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000886716043 647120176 /nfs/dbraw/zinc/12/01/76/647120176.db2.gz MPLYBSHGGOPEKY-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP CCC1([NH+]2CCC2)CCN(Cc2cncc(C)c2)CC1 ZINC000886716209 647120329 /nfs/dbraw/zinc/12/03/29/647120329.db2.gz RLCRGQBHGZGYOU-UHFFFAOYSA-N 2 0 273.424 2.840 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000886718254 647121303 /nfs/dbraw/zinc/12/13/03/647121303.db2.gz UZMYWZBMZHKQOC-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000886774015 647133016 /nfs/dbraw/zinc/13/30/16/647133016.db2.gz GCZRWJBNBQYMII-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869851 647163813 /nfs/dbraw/zinc/16/38/13/647163813.db2.gz JUILXNMOUKBZGA-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886874006 647165005 /nfs/dbraw/zinc/16/50/05/647165005.db2.gz DLVBVGWQRQOVPC-GOSISDBHSA-N 2 0 288.435 2.799 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876148 647166218 /nfs/dbraw/zinc/16/62/18/647166218.db2.gz PAOGXDOBKKOEPQ-SJORKVTESA-N 2 0 292.467 2.944 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000886876105 647166762 /nfs/dbraw/zinc/16/67/62/647166762.db2.gz INNGFSNWMJAVAK-NVXWUHKLSA-N 2 0 280.456 2.800 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)cc1C)CC1CC[NH2+]CC1 ZINC000886882247 647167260 /nfs/dbraw/zinc/16/72/60/647167260.db2.gz KXKVPCNACZDGEH-UHFFFAOYSA-N 2 0 290.451 2.751 20 0 CFADRP CCCC[N@H+](CCOCC[NH3+])[C@@H](C)c1ccc(C)o1 ZINC000886882573 647167357 /nfs/dbraw/zinc/16/73/57/647167357.db2.gz XDWFYKOFTULZMF-AWEZNQCLSA-N 2 0 268.401 2.726 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133248 647222374 /nfs/dbraw/zinc/22/23/74/647222374.db2.gz XHQUEBCRZHTSMR-CABCVRRESA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@H]1C=CCCC1 ZINC000887132859 647222813 /nfs/dbraw/zinc/22/28/13/647222813.db2.gz OROUPZSWGGQSAE-ZBFHGGJFSA-N 2 0 257.381 2.701 20 0 CFADRP Cc1cccc(CC[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)n1 ZINC000887134813 647223681 /nfs/dbraw/zinc/22/36/81/647223681.db2.gz QJZWFWDYLXYHJO-INIZCTEOSA-N 2 0 296.418 2.538 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000221988692 647239595 /nfs/dbraw/zinc/23/95/95/647239595.db2.gz WCOHONBXRAQYFC-HIFRSBDPSA-N 2 0 276.399 2.831 20 0 CFADRP [NH2+]=C(NCCCCCCC[NH+]1CCCC1)NCC1CC1 ZINC000887351540 647278574 /nfs/dbraw/zinc/27/85/74/647278574.db2.gz STPMXABLLNGTMA-UHFFFAOYSA-N 2 0 280.460 2.557 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]CCCC[NH+](C)C ZINC000222903047 647323113 /nfs/dbraw/zinc/32/31/13/647323113.db2.gz CBXLKYBPNWPBBX-CYBMUJFWSA-N 2 0 252.377 2.688 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000300413048 647330379 /nfs/dbraw/zinc/33/03/79/647330379.db2.gz XVUNMZLKSPJXAK-MRVWCRGKSA-N 2 0 256.459 2.590 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000300423995 647331808 /nfs/dbraw/zinc/33/18/08/647331808.db2.gz AFKPPCJLQPKILO-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925495380 647858534 /nfs/dbraw/zinc/85/85/34/647858534.db2.gz MVMWTHLHWWXDEF-LAVFITLUSA-N 2 0 299.462 2.681 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCCCn1ccnc1)c1ccccc1 ZINC000925496009 647869527 /nfs/dbraw/zinc/86/95/27/647869527.db2.gz TVZUJLRSTUAEMA-QGZVFWFLSA-N 2 0 286.423 2.733 20 0 CFADRP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925499999 647882908 /nfs/dbraw/zinc/88/29/08/647882908.db2.gz BYSPUGSHTBWBGW-IAGOWNOFSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccnnc1 ZINC000924605228 648005854 /nfs/dbraw/zinc/00/58/54/648005854.db2.gz DTXVKBDFTSUEHP-HNNXBMFYSA-N 2 0 296.418 2.923 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CC2(C1)CCCC2)N1CC[NH+](C)CC1 ZINC000924632395 648013308 /nfs/dbraw/zinc/01/33/08/648013308.db2.gz QQSFTSTWNOVKKR-QGZVFWFLSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000924647473 648018255 /nfs/dbraw/zinc/01/82/55/648018255.db2.gz JUBYCUBGWAWHJQ-DOMZBBRYSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000924686076 648026436 /nfs/dbraw/zinc/02/64/36/648026436.db2.gz KJKDMWUHJSISGZ-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)C[NH+]1CCCCC1 ZINC000924722718 648035615 /nfs/dbraw/zinc/03/56/15/648035615.db2.gz UGHIIWKWHUFNPL-NUWOQIAWSA-N 2 0 280.456 2.656 20 0 CFADRP COC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924793956 648049133 /nfs/dbraw/zinc/04/91/33/648049133.db2.gz XDCYDMPJHOXUHQ-KBPBESRZSA-N 2 0 264.413 2.681 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000924805030 648051443 /nfs/dbraw/zinc/05/14/43/648051443.db2.gz YIDLMAIHUAZZIK-PBHICJAKSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)CO1 ZINC000924841805 648057208 /nfs/dbraw/zinc/05/72/08/648057208.db2.gz DWIRUOYXRMXUQM-BZOOQXSSSA-N 2 0 278.440 2.551 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000924844629 648057710 /nfs/dbraw/zinc/05/77/10/648057710.db2.gz AFQTYOMALQUKJP-OAHLLOKOSA-N 2 0 290.455 2.508 20 0 CFADRP C1CC([NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000924844100 648057928 /nfs/dbraw/zinc/05/79/28/648057928.db2.gz QJNPGKDSGKDXQQ-ZWKOTPCHSA-N 2 0 291.483 2.610 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000924844627 648058019 /nfs/dbraw/zinc/05/80/19/648058019.db2.gz AFQTYOMALQUKJP-HNNXBMFYSA-N 2 0 290.455 2.508 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924848665 648058896 /nfs/dbraw/zinc/05/88/96/648058896.db2.gz ZGTVWBXPMUHSCG-GJZGRUSLSA-N 2 0 298.434 2.820 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000924953454 648077661 /nfs/dbraw/zinc/07/76/61/648077661.db2.gz BXKQINJVXXIYCE-CYBMUJFWSA-N 2 0 277.412 2.560 20 0 CFADRP Cc1nccn1C[C@H](C)C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924952023 648077898 /nfs/dbraw/zinc/07/78/98/648077898.db2.gz MRMFFYDWUGHUHF-BZOOQXSSSA-N 2 0 291.439 2.765 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924956172 648079074 /nfs/dbraw/zinc/07/90/74/648079074.db2.gz UKSBSCQMEMCDNW-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000924953959 648079113 /nfs/dbraw/zinc/07/91/13/648079113.db2.gz GNYBEROAAMJWMU-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000924960400 648080937 /nfs/dbraw/zinc/08/09/37/648080937.db2.gz QLZJBPULPPMKKK-FGTMMUONSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960045 648081084 /nfs/dbraw/zinc/08/10/84/648081084.db2.gz RECHCTWXUGWNOT-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)on1 ZINC000925048386 648094003 /nfs/dbraw/zinc/09/40/03/648094003.db2.gz IJBXZLHDFPFNBI-CQSZACIVSA-N 2 0 295.427 2.990 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925049461 648095687 /nfs/dbraw/zinc/09/56/87/648095687.db2.gz OLMUCYRNCJZSII-JWTNVVGKSA-N 3 0 293.499 2.572 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000925146032 648116763 /nfs/dbraw/zinc/11/67/63/648116763.db2.gz CRGFCKGOYIEGPU-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925188155 648126990 /nfs/dbraw/zinc/12/69/90/648126990.db2.gz RQBWVZGZZPVXPI-HOTGVXAUSA-N 2 0 284.488 2.884 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000925195158 648128912 /nfs/dbraw/zinc/12/89/12/648128912.db2.gz GUZIQJSHXQOGHH-HUUCEWRRSA-N 2 0 256.434 2.510 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)nc1 ZINC000925230728 648137510 /nfs/dbraw/zinc/13/75/10/648137510.db2.gz DCHQGFXQBXLKJR-RRFJBIMHSA-N 2 0 257.381 2.828 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000925241207 648139330 /nfs/dbraw/zinc/13/93/30/648139330.db2.gz NPBRWFNDAWKHBD-QDIHITRGSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(C)CCCO2)CC1 ZINC000925249034 648141932 /nfs/dbraw/zinc/14/19/32/648141932.db2.gz JVXZAZWANKHTRX-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925274657 648148395 /nfs/dbraw/zinc/14/83/95/648148395.db2.gz NTFMWGSQKZJEER-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000925299200 648152460 /nfs/dbraw/zinc/15/24/60/648152460.db2.gz YHPGPEZQFXZNDR-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccsc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925481950 648180322 /nfs/dbraw/zinc/18/03/22/648180322.db2.gz PDLLXJIEDZYIFT-XBFCOCLRSA-N 2 0 264.438 2.923 20 0 CFADRP CN(CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925484237 648181047 /nfs/dbraw/zinc/18/10/47/648181047.db2.gz CYFZKAVRMNYMKG-CVEARBPZSA-N 2 0 291.414 2.512 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925487056 648181445 /nfs/dbraw/zinc/18/14/45/648181445.db2.gz BENKJVWLFXZRRT-HRCADAONSA-N 3 0 283.504 2.993 20 0 CFADRP CCCCOCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925487792 648182155 /nfs/dbraw/zinc/18/21/55/648182155.db2.gz FRSRVTXHQVPTMY-IRXDYDNUSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925496693 648183066 /nfs/dbraw/zinc/18/30/66/648183066.db2.gz SGMIOQVTVKXGAV-LZLYRXPVSA-N 2 0 289.467 2.785 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1ccccn1)c1ccccc1 ZINC000925496036 648183300 /nfs/dbraw/zinc/18/33/00/648183300.db2.gz UFWMDRHLBSVTDG-KRWDZBQOSA-N 2 0 269.392 2.694 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000925503892 648187859 /nfs/dbraw/zinc/18/78/59/648187859.db2.gz QBYFJENQSADIEB-MRXNPFEDSA-N 2 0 298.386 2.985 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000925507493 648189524 /nfs/dbraw/zinc/18/95/24/648189524.db2.gz CBIQRAGWVWHIPX-RDJZCZTQSA-N 2 0 289.467 2.929 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925508371 648189864 /nfs/dbraw/zinc/18/98/64/648189864.db2.gz FYKLXICERWKXPW-BRWVUGGUSA-N 2 0 289.467 2.785 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ccccc2F)C1 ZINC000925509043 648190697 /nfs/dbraw/zinc/19/06/97/648190697.db2.gz KLMHQQWDAHRTMU-STQMWFEESA-N 2 0 280.387 2.700 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)COCc1ccccc1 ZINC000925508849 648190874 /nfs/dbraw/zinc/19/08/74/648190874.db2.gz SYIFHSNBVUYRIE-GOEBONIOSA-N 2 0 276.424 2.569 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925511494 648191467 /nfs/dbraw/zinc/19/14/67/648191467.db2.gz NXMAMDZGUOQNNC-WMLDXEAASA-N 2 0 275.440 2.539 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511654 648191623 /nfs/dbraw/zinc/19/16/23/648191623.db2.gz RCVSHYXCLBWDEA-GOEBONIOSA-N 2 0 281.488 2.747 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925514635 648193786 /nfs/dbraw/zinc/19/37/86/648193786.db2.gz NWCZWOGDGDKEOA-MSOLQXFVSA-N 2 0 288.435 2.953 20 0 CFADRP CC(C)CCOCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925523769 648198546 /nfs/dbraw/zinc/19/85/46/648198546.db2.gz ZMNLVXLGNUKKCK-IRXDYDNUSA-N 2 0 282.472 2.807 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2ccsc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925526009 648200232 /nfs/dbraw/zinc/20/02/32/648200232.db2.gz FJCHOHIFRYBIEX-RDBSUJKOSA-N 2 0 264.438 2.657 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCC2 ZINC000925529623 648202356 /nfs/dbraw/zinc/20/23/56/648202356.db2.gz ZYKSRIAWNDJEKB-QZTJIDSGSA-N 3 0 299.462 2.642 20 0 CFADRP C[C@]1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCC[C@@H]1O ZINC000925532033 648203595 /nfs/dbraw/zinc/20/35/95/648203595.db2.gz UNWMHISOEJLTQH-OKZBNKHCSA-N 2 0 290.451 2.997 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000925535247 648204420 /nfs/dbraw/zinc/20/44/20/648204420.db2.gz UKDVZVFSOCQBIM-OAHLLOKOSA-N 2 0 275.371 2.580 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCN1CCCCC1)c1ccccc1 ZINC000925533260 648204661 /nfs/dbraw/zinc/20/46/61/648204661.db2.gz KSYQWLZQIVLHMD-KRWDZBQOSA-N 2 0 275.440 2.542 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000925536940 648205409 /nfs/dbraw/zinc/20/54/09/648205409.db2.gz TXYZCQKNAYLUKI-AXFHLTTASA-N 2 0 264.335 2.838 20 0 CFADRP CC(C)C[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[NH+](C)C ZINC000925536684 648205422 /nfs/dbraw/zinc/20/54/22/648205422.db2.gz QMXOVNINZRINJR-KURKYZTESA-N 2 0 295.515 2.721 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925537263 648205971 /nfs/dbraw/zinc/20/59/71/648205971.db2.gz WHLSHPYONCSACB-CVEARBPZSA-N 2 0 274.408 2.833 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCCNc1ccccn1)c1ccccc1 ZINC000925537776 648206409 /nfs/dbraw/zinc/20/64/09/648206409.db2.gz MVKAVQGMDMZGRW-KRWDZBQOSA-N 2 0 298.434 2.953 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925539399 648207165 /nfs/dbraw/zinc/20/71/65/648207165.db2.gz WIOGFGCICVQRJZ-DLBZAZTESA-N 2 0 288.435 2.876 20 0 CFADRP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541004 648207577 /nfs/dbraw/zinc/20/75/77/648207577.db2.gz GVAWFNNNHOGKCV-ZGRYLRDCSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]1NCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541002 648208159 /nfs/dbraw/zinc/20/81/59/648208159.db2.gz GVAWFNNNHOGKCV-RDHHWEPZSA-N 2 0 279.472 2.514 20 0 CFADRP Cc1nn(C)c(C)c1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925542538 648209598 /nfs/dbraw/zinc/20/95/98/648209598.db2.gz PHEXOOPYHSEBIZ-QGZVFWFLSA-N 2 0 286.423 2.607 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000925547107 648211326 /nfs/dbraw/zinc/21/13/26/648211326.db2.gz RFSOHYGFORLNJM-KLHDSHLOSA-N 2 0 281.488 2.745 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925547634 648211374 /nfs/dbraw/zinc/21/13/74/648211374.db2.gz CIJFBNGYAJRBRE-NRSFXHEJSA-N 2 0 299.462 2.632 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000925552412 648213496 /nfs/dbraw/zinc/21/34/96/648213496.db2.gz KQCIDGRSGURQGL-LSDHHAIUSA-N 2 0 264.438 2.952 20 0 CFADRP COCCC1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925555549 648214921 /nfs/dbraw/zinc/21/49/21/648214921.db2.gz HIPWIBHMDPUIGJ-PMPSAXMXSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(Cl)nc2)C1 ZINC000925560117 648216840 /nfs/dbraw/zinc/21/68/40/648216840.db2.gz YOKRTBQGKFMAJK-CHWSQXEVSA-N 2 0 281.831 2.773 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925570954 648222703 /nfs/dbraw/zinc/22/27/03/648222703.db2.gz ZNEVJQKJCGJSAR-QGZVFWFLSA-N 2 0 289.467 2.757 20 0 CFADRP CC[C@@H](C)N(C)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925576880 648224183 /nfs/dbraw/zinc/22/41/83/648224183.db2.gz KWMDDHSXEHLAAT-NVXWUHKLSA-N 2 0 277.456 2.787 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccccc1 ZINC000925577891 648224845 /nfs/dbraw/zinc/22/48/45/648224845.db2.gz RBLYYWJZMMIHNR-QGZVFWFLSA-N 2 0 298.434 2.789 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1Oc2ccccc2[C@H]1C ZINC000925578468 648225513 /nfs/dbraw/zinc/22/55/13/648225513.db2.gz FGIXIGSQWNZGFY-FXSNYSBCSA-N 2 0 286.419 2.799 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925586602 648228581 /nfs/dbraw/zinc/22/85/81/648228581.db2.gz ZWVYCQIZEIZKDL-HZPDHXFCSA-N 2 0 258.409 2.705 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CC1 ZINC000925587465 648228953 /nfs/dbraw/zinc/22/89/53/648228953.db2.gz ZQGZVIXIPWQMLG-WQVCFCJDSA-N 2 0 250.430 2.790 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CO[C@@H](C)C3)C1 ZINC000925587858 648229264 /nfs/dbraw/zinc/22/92/64/648229264.db2.gz KJIOZFBYNMXYIP-VYMRPNJYSA-N 2 0 294.483 2.902 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C12CCC2 ZINC000925604336 648236456 /nfs/dbraw/zinc/23/64/56/648236456.db2.gz JPGNMDUJIQPEOO-VGWMRTNUSA-N 2 0 256.393 2.792 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925604662 648236569 /nfs/dbraw/zinc/23/65/69/648236569.db2.gz MRAOAFREHCBDHC-BARDWOONSA-N 2 0 268.445 2.543 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925607088 648237446 /nfs/dbraw/zinc/23/74/46/648237446.db2.gz NGWZDAJIEAGQGR-OWCLPIDISA-N 2 0 276.424 2.524 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1ccc(F)cc1 ZINC000925610425 648239174 /nfs/dbraw/zinc/23/91/74/648239174.db2.gz FAAOWFQTFVYMCS-AEAUEXCSSA-N 2 0 294.414 2.743 20 0 CFADRP c1coc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925612233 648239234 /nfs/dbraw/zinc/23/92/34/648239234.db2.gz PWGQRXKDCRVUFF-JKSUJKDBSA-N 2 0 262.397 2.580 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925612645 648240360 /nfs/dbraw/zinc/24/03/60/648240360.db2.gz MZOLCIPRPVLPOE-LSDHHAIUSA-N 2 0 291.439 2.864 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925616189 648241364 /nfs/dbraw/zinc/24/13/64/648241364.db2.gz KUUIGUMODBXOOV-CABCVRRESA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCC(F)(F)C1 ZINC000925619564 648242274 /nfs/dbraw/zinc/24/22/74/648242274.db2.gz PBWRPAOKLXMKOE-SZQBSXBZSA-N 2 0 258.356 2.670 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925619378 648242599 /nfs/dbraw/zinc/24/25/99/648242599.db2.gz MZNAZYOVERSIDU-DZUCGIPZSA-N 2 0 290.451 2.647 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925621631 648243802 /nfs/dbraw/zinc/24/38/02/648243802.db2.gz FUDVSWWWELIXKP-DZKIICNBSA-N 2 0 270.461 2.669 20 0 CFADRP CC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCOCC1 ZINC000925628061 648247500 /nfs/dbraw/zinc/24/75/00/648247500.db2.gz YBFBMUITTARVHE-INIZCTEOSA-N 2 0 276.424 2.873 20 0 CFADRP CC(C)OCCCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925632818 648251437 /nfs/dbraw/zinc/25/14/37/648251437.db2.gz BDNQRZWNHFQBPQ-KBPBESRZSA-N 2 0 256.434 2.687 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925633506 648252244 /nfs/dbraw/zinc/25/22/44/648252244.db2.gz DLIPMFJUFWRQAL-BRWVUGGUSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C[C@@H]([NH3+])C1 ZINC000925634051 648252327 /nfs/dbraw/zinc/25/23/27/648252327.db2.gz KSLBPGBUHSEGOB-JKJDWNRSSA-N 2 0 292.467 2.830 20 0 CFADRP CS[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925637154 648255001 /nfs/dbraw/zinc/25/50/01/648255001.db2.gz IJMUGKPNKNJDRJ-NEPJUHHUSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925639107 648256136 /nfs/dbraw/zinc/25/61/36/648256136.db2.gz JTDPPSUSKAPEEB-UTLUCORTSA-N 2 0 252.324 2.823 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(C[NH+](C)C)c1 ZINC000925641007 648257104 /nfs/dbraw/zinc/25/71/04/648257104.db2.gz XNIGGBZQTRFYFK-LSDHHAIUSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000925641257 648257230 /nfs/dbraw/zinc/25/72/30/648257230.db2.gz LPILINUCJYJAFP-XIRDDKMYSA-N 2 0 287.451 2.552 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)cn(C)c2c1 ZINC000925645338 648259290 /nfs/dbraw/zinc/25/92/90/648259290.db2.gz PUCCJQUUBBVVKY-MSOLQXFVSA-N 2 0 297.446 2.889 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925651595 648262374 /nfs/dbraw/zinc/26/23/74/648262374.db2.gz GZYDRCOSYGJXTF-HZPDHXFCSA-N 2 0 273.424 2.868 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925653946 648263555 /nfs/dbraw/zinc/26/35/55/648263555.db2.gz COEFGWBKVZPRFS-LSDHHAIUSA-N 2 0 276.449 2.811 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925655732 648265550 /nfs/dbraw/zinc/26/55/50/648265550.db2.gz HALCIQHDVPMFJT-NEPJUHHUSA-N 2 0 256.459 2.768 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925667331 648270337 /nfs/dbraw/zinc/27/03/37/648270337.db2.gz QGXAEXSRXJNUTE-MJBXVCDLSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)SC[C@H]1[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925668097 648271044 /nfs/dbraw/zinc/27/10/44/648271044.db2.gz URWVTJPJFTWHDX-UONOGXRCSA-N 2 0 264.438 2.950 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925669331 648272513 /nfs/dbraw/zinc/27/25/13/648272513.db2.gz AQCAERPCKRKOCO-DJIMGWMZSA-N 2 0 276.424 2.729 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925671732 648273575 /nfs/dbraw/zinc/27/35/75/648273575.db2.gz FGRPBDOITSGXST-ZIAGYGMSSA-N 2 0 270.461 2.935 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)cc21 ZINC000925674926 648274449 /nfs/dbraw/zinc/27/44/49/648274449.db2.gz FNNCNNWJKHOXIJ-GJZGRUSLSA-N 2 0 286.423 2.569 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925677291 648275639 /nfs/dbraw/zinc/27/56/39/648275639.db2.gz SEMNBSIBMMIRNH-YQQAZPJKSA-N 2 0 277.456 2.785 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925677286 648275784 /nfs/dbraw/zinc/27/57/84/648275784.db2.gz SEMNBSIBMMIRNH-BFYDXBDKSA-N 2 0 277.456 2.785 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925679273 648277556 /nfs/dbraw/zinc/27/75/56/648277556.db2.gz IWWLCFHDTNZQON-KBPBESRZSA-N 2 0 275.440 2.855 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925684746 648279285 /nfs/dbraw/zinc/27/92/85/648279285.db2.gz CYKKCMAQHJCOKD-FUHWJXTLSA-N 3 0 289.467 2.788 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000925693693 648282992 /nfs/dbraw/zinc/28/29/92/648282992.db2.gz QQXGUNZPJKLNHO-LUKYLMHMSA-N 2 0 262.441 2.790 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693780 648283225 /nfs/dbraw/zinc/28/32/25/648283225.db2.gz SAHFEGDFVUOHQG-HUUCEWRRSA-N 2 0 282.472 2.541 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925694741 648284030 /nfs/dbraw/zinc/28/40/30/648284030.db2.gz PRTQDILWPAAVNJ-TWMKSMIVSA-N 2 0 280.456 2.700 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925704361 648287286 /nfs/dbraw/zinc/28/72/86/648287286.db2.gz GJSUQIYCWDWBED-ZGUYJTEBSA-N 3 0 293.499 2.617 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC[N@@H+](C3CCCCC3)C1)[NH2+]2 ZINC000925705803 648288168 /nfs/dbraw/zinc/28/81/68/648288168.db2.gz IHIUMWSNYFLELH-MISMHTLLSA-N 2 0 291.483 2.512 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CCC3(CC3(F)F)CC2)C12CCC2 ZINC000925707006 648288722 /nfs/dbraw/zinc/28/87/22/648288722.db2.gz MKJRAXASQZEHHP-QBHFIFKDSA-N 2 0 270.367 2.814 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925708693 648289534 /nfs/dbraw/zinc/28/95/34/648289534.db2.gz RRUMQJCOGHHKSK-BBWFWOEESA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)(F)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925708382 648289645 /nfs/dbraw/zinc/28/96/45/648289645.db2.gz LHXHDVLUPNCNLD-ZIAGYGMSSA-N 2 0 256.409 2.883 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925707312 648289710 /nfs/dbraw/zinc/28/97/10/648289710.db2.gz PBAUBKMOXPCFML-QBPKDAKJSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH3+])[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000925710363 648290303 /nfs/dbraw/zinc/29/03/03/648290303.db2.gz WUZZDZPZOXIDPI-NUEKZKHPSA-N 2 0 275.440 2.537 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000925709171 648290528 /nfs/dbraw/zinc/29/05/28/648290528.db2.gz UGKDSQVVBVGGEC-AWEZNQCLSA-N 2 0 288.435 2.827 20 0 CFADRP FC1CCC(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925709387 648290675 /nfs/dbraw/zinc/29/06/75/648290675.db2.gz IWDTXNKMZJDYMY-RUXDESIVSA-N 2 0 254.393 2.779 20 0 CFADRP CC1(C)CO[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925728126 648299742 /nfs/dbraw/zinc/29/97/42/648299742.db2.gz BCQSXXZDDIINTR-HZPDHXFCSA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925727029 648299820 /nfs/dbraw/zinc/29/98/20/648299820.db2.gz BNDINQUIJMZLIY-DDHJBXDOSA-N 2 0 274.330 2.743 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC(F)(F)C1 ZINC000925733048 648302558 /nfs/dbraw/zinc/30/25/58/648302558.db2.gz FMKFQPOBIQQYHJ-WDEREUQCSA-N 2 0 260.372 2.917 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000925740330 648305650 /nfs/dbraw/zinc/30/56/50/648305650.db2.gz IXJCJLBMWNOTIX-LBPRGKRZSA-N 2 0 254.324 2.669 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000925739727 648305763 /nfs/dbraw/zinc/30/57/63/648305763.db2.gz DQZNVSRFJLFDCD-CQSZACIVSA-N 2 0 250.361 2.920 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742158 648306168 /nfs/dbraw/zinc/30/61/68/648306168.db2.gz PYLMPPDPFMETCM-STQMWFEESA-N 2 0 256.434 2.687 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742156 648306426 /nfs/dbraw/zinc/30/64/26/648306426.db2.gz PYLMPPDPFMETCM-OLZOCXBDSA-N 2 0 256.434 2.687 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749971 648307156 /nfs/dbraw/zinc/30/71/56/648307156.db2.gz BQCIDGVLVBTOGW-YPMHNXCESA-N 2 0 279.453 2.929 20 0 CFADRP CCC[C@H]1CCC[C@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749969 648307858 /nfs/dbraw/zinc/30/78/58/648307858.db2.gz BQCIDGVLVBTOGW-WCQYABFASA-N 2 0 279.453 2.929 20 0 CFADRP CCC1([NH3+])CC[NH+](C2CCC(c3nc(C)no3)CC2)CC1 ZINC000925760829 648311362 /nfs/dbraw/zinc/31/13/62/648311362.db2.gz SSZDSZMOCNDYTF-UHFFFAOYSA-N 2 0 292.427 2.608 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000925772483 648315848 /nfs/dbraw/zinc/31/58/48/648315848.db2.gz ICWMEUIDQJFSID-KQTLUZQSSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925776822 648318319 /nfs/dbraw/zinc/31/83/19/648318319.db2.gz MMMIPRHBWGGHBE-VOAKCMCISA-N 2 0 260.372 2.646 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925776454 648318521 /nfs/dbraw/zinc/31/85/21/648318521.db2.gz HASHBWPSSUFSLB-ZDUSSCGKSA-N 2 0 268.470 2.927 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000925779370 648319740 /nfs/dbraw/zinc/31/97/40/648319740.db2.gz XVRQAWABSNOZET-CHWSQXEVSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc2c(s1)CCC2 ZINC000925785744 648323518 /nfs/dbraw/zinc/32/35/18/648323518.db2.gz OSVCGZYJTMKMRT-WZRBSPASSA-N 2 0 264.438 2.743 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925790849 648324191 /nfs/dbraw/zinc/32/41/91/648324191.db2.gz LRJFFLFRVRBCAA-OSAQELSMSA-N 2 0 250.361 2.722 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000925792861 648326020 /nfs/dbraw/zinc/32/60/20/648326020.db2.gz HMIMFALGZJRWDH-QLFBSQMISA-N 2 0 276.424 2.900 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000925801096 648327146 /nfs/dbraw/zinc/32/71/46/648327146.db2.gz TZMNWTSCEACYAJ-MGPQQGTHSA-N 2 0 292.423 2.600 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)n1 ZINC000925800795 648327657 /nfs/dbraw/zinc/32/76/57/648327657.db2.gz YTNYGDLWSCYTDI-OSAQELSMSA-N 2 0 261.413 2.595 20 0 CFADRP CSC1CCC(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000925803381 648328398 /nfs/dbraw/zinc/32/83/98/648328398.db2.gz YTHKZWQZPGPTNG-URGYJCLVSA-N 2 0 270.486 2.886 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccoc1 ZINC000925811269 648330871 /nfs/dbraw/zinc/33/08/71/648330871.db2.gz HSAQGCOEUPMTBW-QGZVFWFLSA-N 2 0 293.455 2.770 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814291 648331884 /nfs/dbraw/zinc/33/18/84/648331884.db2.gz KEDIBANBEOHSFB-RHSMWYFYSA-N 2 0 283.419 2.755 20 0 CFADRP CCCCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925818270 648332976 /nfs/dbraw/zinc/33/29/76/648332976.db2.gz ZZQFQFYMBIQIGP-MRXNPFEDSA-N 2 0 283.504 2.994 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1CC=CC1 ZINC000925831242 648336605 /nfs/dbraw/zinc/33/66/05/648336605.db2.gz IKHDJZIETGEFDO-PBHICJAKSA-N 2 0 258.409 2.891 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925833015 648337239 /nfs/dbraw/zinc/33/72/39/648337239.db2.gz PZSRDJPRZUCHIE-BBRMVZONSA-N 2 0 276.399 2.964 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000925835260 648338014 /nfs/dbraw/zinc/33/80/14/648338014.db2.gz RBQKJIHJOOXSNR-ZDUSSCGKSA-N 2 0 284.403 2.588 20 0 CFADRP Fc1cccc(C2(C[NH2+][C@H]3CCC[NH2+]CC3)CCC2)c1 ZINC000925834438 648338584 /nfs/dbraw/zinc/33/85/84/648338584.db2.gz WSJUABOCWFWGOC-INIZCTEOSA-N 2 0 276.399 2.979 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842402 648341875 /nfs/dbraw/zinc/34/18/75/648341875.db2.gz MXQOZMNBBXPLPR-BPLDGKMQSA-N 2 0 264.438 2.801 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCS1 ZINC000925862227 648347844 /nfs/dbraw/zinc/34/78/44/648347844.db2.gz YNSMUZAPJUOPOB-BJJPWKGXSA-N 2 0 268.470 2.637 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000925872126 648352007 /nfs/dbraw/zinc/35/20/07/648352007.db2.gz PWOAWOBZGWPFOB-RBSFLKMASA-N 2 0 273.424 2.955 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000925877308 648353347 /nfs/dbraw/zinc/35/33/47/648353347.db2.gz OAITXUKXQPGQLD-IMJJTQAJSA-N 2 0 298.434 2.959 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)[C@H]1OC ZINC000925882997 648354568 /nfs/dbraw/zinc/35/45/68/648354568.db2.gz QVEUDQGORZCZTO-XPABHHOTSA-N 2 0 268.445 2.543 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC23CCOCC3)CC1 ZINC000926227674 648440889 /nfs/dbraw/zinc/44/08/89/648440889.db2.gz HBVPKZZFMBIIIQ-INIZCTEOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926226838 648441142 /nfs/dbraw/zinc/44/11/42/648441142.db2.gz WZVWFLUYSWPLMH-JQFCIGGWSA-N 2 0 276.424 2.702 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000926232157 648443406 /nfs/dbraw/zinc/44/34/06/648443406.db2.gz SAYSEFOIFIQUMP-MRXNPFEDSA-N 2 0 266.429 2.779 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000926287056 648454482 /nfs/dbraw/zinc/45/44/82/648454482.db2.gz MAMJHFSYUPEPAJ-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1noc(C)c1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926310803 648459707 /nfs/dbraw/zinc/45/97/07/648459707.db2.gz VLFAJKXYSAFVRQ-LLVKDONJSA-N 2 0 277.412 2.816 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)C[NH+](C)C ZINC000926469131 648499238 /nfs/dbraw/zinc/49/92/38/648499238.db2.gz FIEIUJHRVDCGJZ-HLLBOEOZSA-N 2 0 275.440 2.580 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C[NH+](C)C ZINC000926469952 648500058 /nfs/dbraw/zinc/50/00/58/648500058.db2.gz IMQOXQQSJUXKKS-HUUCEWRRSA-N 3 0 277.456 2.597 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C[NH+](C)C ZINC000926469945 648500228 /nfs/dbraw/zinc/50/02/28/648500228.db2.gz IMQOXQQSJUXKKS-CABCVRRESA-N 3 0 277.456 2.597 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926488517 648506515 /nfs/dbraw/zinc/50/65/15/648506515.db2.gz FLYVXYVOWFYJCH-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)C(C)(C)O ZINC000926491647 648508422 /nfs/dbraw/zinc/50/84/22/648508422.db2.gz YTLSDKAENZUAJG-BBRMVZONSA-N 2 0 278.440 2.948 20 0 CFADRP CC(C)CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000926543704 648527008 /nfs/dbraw/zinc/52/70/08/648527008.db2.gz XKJMVQMGXGOFGK-AYHJJNSGSA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000926547671 648528478 /nfs/dbraw/zinc/52/84/78/648528478.db2.gz MTJRPHBYLZYXMR-UHFFFAOYSA-N 2 0 284.488 2.884 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C1CC1 ZINC000926560628 648533840 /nfs/dbraw/zinc/53/38/40/648533840.db2.gz UCXZQDLLKGNEDU-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC)n1 ZINC000926572921 648537780 /nfs/dbraw/zinc/53/77/80/648537780.db2.gz IMUZDXYSTBEQNM-GJZGRUSLSA-N 2 0 291.439 2.863 20 0 CFADRP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926572279 648537908 /nfs/dbraw/zinc/53/79/08/648537908.db2.gz FPBXUQMBICKMAO-XKQJLSEDSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000926573338 648539413 /nfs/dbraw/zinc/53/94/13/648539413.db2.gz LMTSBBDOEDSMJY-CABCVRRESA-N 2 0 290.455 2.991 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000926573341 648539649 /nfs/dbraw/zinc/53/96/49/648539649.db2.gz LMTSBBDOEDSMJY-LSDHHAIUSA-N 2 0 290.455 2.991 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000926582232 648542582 /nfs/dbraw/zinc/54/25/82/648542582.db2.gz KRVPCPLBPRBNCC-HIFRSBDPSA-N 2 0 270.486 2.981 20 0 CFADRP COc1ccnc([C@@H](C)NCCC[N@H+](C)CC(C)C)c1 ZINC000926643482 648559694 /nfs/dbraw/zinc/55/96/94/648559694.db2.gz AOOUIIVHEWTYIZ-CQSZACIVSA-N 2 0 279.428 2.719 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926646055 648560040 /nfs/dbraw/zinc/56/00/40/648560040.db2.gz UNUUEXZHGLELHM-DLBZAZTESA-N 2 0 284.488 2.885 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000926646467 648561067 /nfs/dbraw/zinc/56/10/67/648561067.db2.gz YPAOXJZFMOEDPX-KRWDZBQOSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H]1COC[C@@H]1C)C1CCCCC1 ZINC000926652419 648562909 /nfs/dbraw/zinc/56/29/09/648562909.db2.gz SMTAGAHRSYOMGP-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cncc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n1 ZINC000926712880 648586813 /nfs/dbraw/zinc/58/68/13/648586813.db2.gz PAJFFOJFPBWEPA-HNNXBMFYSA-N 2 0 298.434 2.740 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000926718274 648589210 /nfs/dbraw/zinc/58/92/10/648589210.db2.gz LOUZRFXJCJBMMO-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926733616 648595659 /nfs/dbraw/zinc/59/56/59/648595659.db2.gz WDGFRXAMNMVCDJ-MSOLQXFVSA-N 2 0 294.483 2.759 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc[nH]c(=O)c1 ZINC000926739781 648597288 /nfs/dbraw/zinc/59/72/88/648597288.db2.gz ZCBSCVCMAMVTSM-UKRRQHHQSA-N 2 0 289.423 2.560 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000926753466 648602166 /nfs/dbraw/zinc/60/21/66/648602166.db2.gz HSZUYAMIULYKJV-IKGGRYGDSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000927014403 648683681 /nfs/dbraw/zinc/68/36/81/648683681.db2.gz FCDMXEOVNJRTAT-MRXNPFEDSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)CC[N@@H+]1C ZINC000927018156 648684425 /nfs/dbraw/zinc/68/44/25/648684425.db2.gz OHFAXZMCYQIVRG-RBSFLKMASA-N 2 0 266.429 2.551 20 0 CFADRP CCC[C@H](O)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000927018413 648685378 /nfs/dbraw/zinc/68/53/78/648685378.db2.gz OIIFQDJJQPSMSA-PBHICJAKSA-N 2 0 278.440 2.950 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnn(C)c1 ZINC000927037196 648689681 /nfs/dbraw/zinc/68/96/81/648689681.db2.gz HYAOAFCFBYRADY-AQFXKWCLSA-N 2 0 290.455 2.868 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1nccn1C ZINC000927040282 648690488 /nfs/dbraw/zinc/69/04/88/648690488.db2.gz ZWPLHUFNVHEGHD-ISXOHVOVSA-N 2 0 290.455 2.868 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)nnc2C)CC1 ZINC000929276756 649021293 /nfs/dbraw/zinc/02/12/93/649021293.db2.gz QUJYNEZNEKTKFO-UHFFFAOYSA-N 2 0 290.455 2.647 20 0 CFADRP C[C@H](c1ccc(F)nc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000929282489 649022493 /nfs/dbraw/zinc/02/24/93/649022493.db2.gz KHJRVYZJUKXSLJ-GFCCVEGCSA-N 2 0 265.376 2.555 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2[nH]c(C)nc2C)CC1 ZINC000929298732 649027540 /nfs/dbraw/zinc/02/75/40/649027540.db2.gz YEJGWRNZSCCSPA-UHFFFAOYSA-N 2 0 292.471 2.970 20 0 CFADRP COC[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000929327418 649032348 /nfs/dbraw/zinc/03/23/48/649032348.db2.gz JKBQARLKLZXWJP-INIZCTEOSA-N 2 0 270.461 2.569 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929688177 649097151 /nfs/dbraw/zinc/09/71/51/649097151.db2.gz QRKBTORMWDSNEP-OWCLPIDISA-N 2 0 250.430 2.983 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695692 649099354 /nfs/dbraw/zinc/09/93/54/649099354.db2.gz IKHNMJITTFRZFE-ZDUSSCGKSA-N 2 0 260.372 2.840 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](COC)C(C)C)C1 ZINC000929778471 649119269 /nfs/dbraw/zinc/11/92/69/649119269.db2.gz JWNXHZQLWUSRDI-HZPDHXFCSA-N 2 0 270.461 2.569 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000929806542 649127698 /nfs/dbraw/zinc/12/76/98/649127698.db2.gz PNVPSGQPRUHOFB-INIZCTEOSA-N 2 0 289.423 2.560 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cccc(F)c3)CC[C@H]21 ZINC000929842936 649136441 /nfs/dbraw/zinc/13/64/41/649136441.db2.gz FSASDJISLWDABV-DOTOQJQBSA-N 2 0 276.399 2.784 20 0 CFADRP CC[C@H](CO)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000929842732 649136782 /nfs/dbraw/zinc/13/67/82/649136782.db2.gz UTSHBVXMYJJOFY-DOTOQJQBSA-N 2 0 282.472 2.734 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H](C)C1 ZINC000929998005 649162990 /nfs/dbraw/zinc/16/29/90/649162990.db2.gz AKZVQXOJHRHUEP-QMIVOQANSA-N 2 0 286.410 2.940 20 0 CFADRP CC1CC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000930060455 649175325 /nfs/dbraw/zinc/17/53/25/649175325.db2.gz IQUPANZYBPIGBE-OCUYMYNFSA-N 2 0 262.441 2.981 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCCC3(CCC3)O1)C2 ZINC000930602536 649284405 /nfs/dbraw/zinc/28/44/05/649284405.db2.gz WCRGPGCSFNLWNN-IAGOWNOFSA-N 2 0 292.467 2.896 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000930601117 649284619 /nfs/dbraw/zinc/28/46/19/649284619.db2.gz FGFVXOMBSJOAOJ-HZMVEIRTSA-N 2 0 280.456 2.608 20 0 CFADRP CN(C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)C[C@H]21 ZINC000931279748 649400814 /nfs/dbraw/zinc/40/08/14/649400814.db2.gz QENPYPASDJAAHB-VVLHAWIVSA-N 2 0 256.393 2.556 20 0 CFADRP CN1C[C@]2(C)C[N@H+](CCCc3ccccc3)C[C@]2(C)C1 ZINC000931309375 649404818 /nfs/dbraw/zinc/40/48/18/649404818.db2.gz QZSGRMGQLNMFMC-HDICACEKSA-N 2 0 272.436 2.893 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C)([NH+](C)C)CC1)C1CCCCC1 ZINC000931355046 649413690 /nfs/dbraw/zinc/41/36/90/649413690.db2.gz OBKNPVZWEVJENM-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434432 649426493 /nfs/dbraw/zinc/42/64/93/649426493.db2.gz UTBYYOWUERBRDW-RWMBFGLXSA-N 2 0 280.362 2.909 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000931434736 649426559 /nfs/dbraw/zinc/42/65/59/649426559.db2.gz ZPWHLLZMJITRHM-KGLIPLIRSA-N 2 0 296.361 2.672 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437127 649427482 /nfs/dbraw/zinc/42/74/82/649427482.db2.gz NANCZUZYOIPQRZ-DLBZAZTESA-N 2 0 287.451 2.897 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000931468341 649435715 /nfs/dbraw/zinc/43/57/15/649435715.db2.gz XCRWWQMYZVSUGS-FVQHAEBGSA-N 2 0 294.483 2.998 20 0 CFADRP CCCc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000931482259 649438951 /nfs/dbraw/zinc/43/89/51/649438951.db2.gz AGUQESLDMQPEKJ-UHFFFAOYSA-N 2 0 290.451 2.528 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1COC(C)(C)C ZINC000932171230 649558603 /nfs/dbraw/zinc/55/86/03/649558603.db2.gz WQHCXEYBGQFTKL-GJZGRUSLSA-N 2 0 268.445 2.750 20 0 CFADRP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000036301516 649571672 /nfs/dbraw/zinc/57/16/72/649571672.db2.gz VWMIULHLWKFHLU-UHFFFAOYSA-N 2 0 288.313 2.769 20 0 CFADRP Cc1nccn1CCCC[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932817954 649646029 /nfs/dbraw/zinc/64/60/29/649646029.db2.gz MHSSXCUNCJPBCG-UHFFFAOYSA-N 2 0 291.439 2.599 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c1 ZINC000933739934 649718463 /nfs/dbraw/zinc/71/84/63/649718463.db2.gz CSQVAWVOTHQUHO-FUHWJXTLSA-N 2 0 288.435 2.511 20 0 CFADRP C(C[NH2+][C@H]1CCOC12CCCC2)C[NH+]1CCCCC1 ZINC000934387133 649782656 /nfs/dbraw/zinc/78/26/56/649782656.db2.gz XXOATKRNHLAUBJ-HNNXBMFYSA-N 2 0 266.429 2.554 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837506 649838707 /nfs/dbraw/zinc/83/87/07/649838707.db2.gz JDHPQBQTGQGPPZ-IAGOWNOFSA-N 2 0 282.472 2.857 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CCC12CN(c1c[nH+]cn1C)C2 ZINC001277765349 777803499 /nfs/dbraw/zinc/80/34/99/777803499.db2.gz FLRDQBRSDRLGHU-OAHLLOKOSA-N 2 0 290.455 2.901 20 0 CFADRP CCc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc(CC)c1O ZINC001235925625 778611774 /nfs/dbraw/zinc/61/17/74/778611774.db2.gz MOBSPRMHJZAGGW-INIZCTEOSA-N 2 0 276.424 2.830 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235949112 778623136 /nfs/dbraw/zinc/62/31/36/778623136.db2.gz XWYCLISODWNEHF-ZIAGYGMSSA-N 2 0 258.409 2.810 20 0 CFADRP [NH3+]C12CC(CC[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)(C1)C2 ZINC001236372640 778795248 /nfs/dbraw/zinc/79/52/48/778795248.db2.gz RLWDHWSQGOFNLT-ZLPCBKJTSA-N 3 0 291.483 2.502 20 0 CFADRP CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235779153 778558526 /nfs/dbraw/zinc/55/85/26/778558526.db2.gz XPDKBDKVEAKCBP-OAHLLOKOSA-N 2 0 296.455 2.572 20 0 CFADRP COC(C)(C)[C@H]1CCC[N@@H+]1CC1(C)CC[NH+](C)CC1 ZINC001208113411 769852544 /nfs/dbraw/zinc/85/25/44/769852544.db2.gz IKVDAFHOAFOKDI-CQSZACIVSA-N 2 0 268.445 2.608 20 0 CFADRP CCOc1ccc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770168 769889943 /nfs/dbraw/zinc/88/99/43/769889943.db2.gz RUOAZOAIYWLOCI-LSDHHAIUSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+]1CCC(C[N@@H+]2CCOc3ccccc3C2)CC1 ZINC001208599385 769909467 /nfs/dbraw/zinc/90/94/67/769909467.db2.gz GHTINPPJWJURLY-UHFFFAOYSA-N 2 0 274.408 2.613 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H](c3ccccc3)C2)C1 ZINC001208607245 769909650 /nfs/dbraw/zinc/90/96/50/769909650.db2.gz KTLDGYQLYARWMK-RDJZCZTQSA-N 2 0 258.409 2.818 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H](c3ccccc3F)C2)C1 ZINC001208606105 769909743 /nfs/dbraw/zinc/90/97/43/769909743.db2.gz CXTIMKYGHPIOQZ-GJZGRUSLSA-N 2 0 276.399 2.957 20 0 CFADRP C[NH+](C)CCCOc1ccc(NC2=CC[N@H+](C)CC2)cc1 ZINC001208836886 769943989 /nfs/dbraw/zinc/94/39/89/769943989.db2.gz CQUHTLFBMDSWNL-UHFFFAOYSA-N 2 0 289.423 2.648 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000037301885 769988362 /nfs/dbraw/zinc/98/83/62/769988362.db2.gz XSIWGPDCQANLBI-GFCCVEGCSA-N 2 0 286.851 2.674 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)C[NH+]1CCCC1 ZINC000382328913 770209801 /nfs/dbraw/zinc/20/98/01/770209801.db2.gz XTVYEADGFJHEPJ-LBDPXKHJSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397485675 770213436 /nfs/dbraw/zinc/21/34/36/770213436.db2.gz BJBHDOUYLJBLOK-UHFFFAOYSA-N 2 0 290.451 2.649 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723617569 770619768 /nfs/dbraw/zinc/61/97/68/770619768.db2.gz CREMADMHGHYHPO-ZMSDIMECSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723643795 770636352 /nfs/dbraw/zinc/63/63/52/770636352.db2.gz KZBSMQGCSGVJDD-QSFKDOLUSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000403296316 770648536 /nfs/dbraw/zinc/64/85/36/770648536.db2.gz PCPQLRCIPLWVRV-TZMCWYRMSA-N 2 0 268.351 2.706 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000723682841 770649783 /nfs/dbraw/zinc/64/97/83/770649783.db2.gz LVENEIPTCMFDMV-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1C ZINC000723689467 770649898 /nfs/dbraw/zinc/64/98/98/770649898.db2.gz GKIJKXSVDRAYPB-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723695166 770651920 /nfs/dbraw/zinc/65/19/20/770651920.db2.gz KUJBYNSBQAROHH-GFCCVEGCSA-N 2 0 291.420 2.882 20 0 CFADRP CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890661 770708278 /nfs/dbraw/zinc/70/82/78/770708278.db2.gz HQFKQJSSEDYKGV-ZIAGYGMSSA-N 2 0 262.397 2.502 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1F ZINC000723899836 770709716 /nfs/dbraw/zinc/70/97/16/770709716.db2.gz GUTUVUJJCXFLQT-TZMCWYRMSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1CC[NH3+] ZINC000723905278 770710852 /nfs/dbraw/zinc/71/08/52/770710852.db2.gz GFRCPEHYPLZCNJ-UKRRQHHQSA-N 2 0 258.409 2.981 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723978367 770731701 /nfs/dbraw/zinc/73/17/01/770731701.db2.gz PIKWNXGXCHQGNH-OTBWCIGPSA-N 2 0 280.456 2.654 20 0 CFADRP CC1(C)CC([NH3+])CC(C)(C)N1c1ccccc1CC[NH3+] ZINC001167625678 773196894 /nfs/dbraw/zinc/19/68/94/773196894.db2.gz YDKJAKHHUYYABF-UHFFFAOYSA-N 2 0 275.440 2.673 20 0 CFADRP C[NH+](C)CC[C@H](OC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001224817768 775282229 /nfs/dbraw/zinc/28/22/29/775282229.db2.gz ZQKAJKRGVXGNOS-IRXDYDNUSA-N 2 0 276.424 2.790 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1OCCCCC1CC[NH2+]CC1 ZINC001217786536 775290360 /nfs/dbraw/zinc/29/03/60/775290360.db2.gz DEVFDSJGHVBYIJ-HOCLYGCPSA-N 2 0 268.445 2.561 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](OCCC[NH+]2CCCCC2)C1 ZINC001224861570 775293392 /nfs/dbraw/zinc/29/33/92/775293392.db2.gz XSFADZXAKAMZBP-INIZCTEOSA-N 2 0 268.445 2.752 20 0 CFADRP C(CCC1CC[NH2+]CC1)COC1CCC2(C[NH2+]C2)CC1 ZINC001217852439 775331886 /nfs/dbraw/zinc/33/18/86/775331886.db2.gz CLXHZXSTDSFQED-UHFFFAOYSA-N 2 0 280.456 2.705 20 0 CFADRP Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc[nH]2)cc[nH+]1 ZINC001277065353 775562619 /nfs/dbraw/zinc/56/26/19/775562619.db2.gz VSFYVXYDNYKSQF-CALCHBBNSA-N 2 0 282.391 2.571 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)C1 ZINC000328353849 775741394 /nfs/dbraw/zinc/74/13/94/775741394.db2.gz OJARUSUCCVFORP-RDBSUJKOSA-N 2 0 256.459 2.735 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C12CCC2 ZINC000925518576 775841880 /nfs/dbraw/zinc/84/18/80/775841880.db2.gz RMONWKLXTFZZLM-DGXTUMSLSA-N 2 0 292.467 2.700 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cc[nH+]c(N)c1 ZINC001226657428 775906825 /nfs/dbraw/zinc/90/68/25/775906825.db2.gz PQTJOCLTFSSFJA-PBHICJAKSA-N 2 0 297.402 2.953 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001207480114 775933628 /nfs/dbraw/zinc/93/36/28/775933628.db2.gz UMFAGOKLLFXCSY-CHWSQXEVSA-N 2 0 296.352 2.798 20 0 CFADRP Cc1ccc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]c1N ZINC001167750936 776080882 /nfs/dbraw/zinc/08/08/82/776080882.db2.gz FTWRIBLUTXCHRA-CYBMUJFWSA-N 2 0 262.401 2.649 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125568634 776355702 /nfs/dbraw/zinc/35/57/02/776355702.db2.gz GIKOPZGAINDQSX-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP Clc1ncccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692872074 776466186 /nfs/dbraw/zinc/46/61/86/776466186.db2.gz IGCANOBPVACYRG-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722337488 776488203 /nfs/dbraw/zinc/48/82/03/776488203.db2.gz LWIAWEWAROSNJJ-IWCQGFGOSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cs1 ZINC001277310259 776518003 /nfs/dbraw/zinc/51/80/03/776518003.db2.gz JRBBXRRZBDMVOO-GASCZTMLSA-N 2 0 264.438 2.830 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H]1CN(C)C ZINC001167824656 776542680 /nfs/dbraw/zinc/54/26/80/776542680.db2.gz DNSYBVWFQQKUJW-CVEARBPZSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC001167825538 776545008 /nfs/dbraw/zinc/54/50/08/776545008.db2.gz JVLHUAIJQXFYQQ-HOTGVXAUSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC001167825238 776545067 /nfs/dbraw/zinc/54/50/67/776545067.db2.gz IKDORQKRWCWEEF-KRWDZBQOSA-N 3 0 283.504 2.915 20 0 CFADRP CCN1CCC([N@H+](C)[C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167825566 776546811 /nfs/dbraw/zinc/54/68/11/776546811.db2.gz KEWTXKSDEMBSFA-INIZCTEOSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC001167826829 776548009 /nfs/dbraw/zinc/54/80/09/776548009.db2.gz RKZXQHZALBGZHS-HOTGVXAUSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1Cc2ccncc2C1 ZINC001167828093 776554534 /nfs/dbraw/zinc/55/45/34/776554534.db2.gz ZQRAKXYXRHFBQO-CQSZACIVSA-N 2 0 261.413 2.908 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001167835249 776582778 /nfs/dbraw/zinc/58/27/78/776582778.db2.gz PTNOCCFAYYNDNB-SJORKVTESA-N 2 0 283.504 2.911 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)CC(C)(C)O ZINC001167838676 776587306 /nfs/dbraw/zinc/58/73/06/776587306.db2.gz VTINXHQXJXMNIN-AWEZNQCLSA-N 2 0 258.450 2.590 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(N2CCC(F)CC2)C1 ZINC001167837446 776588735 /nfs/dbraw/zinc/58/87/35/776588735.db2.gz KMOURUGHNWAXNP-OAHLLOKOSA-N 2 0 299.478 2.615 20 0 CFADRP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167837430 776589403 /nfs/dbraw/zinc/58/94/03/776589403.db2.gz JULXNOYPGVXDID-GJZGRUSLSA-N 2 0 284.444 2.524 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CC([NH+]2CCCCC2)C1 ZINC001167838694 776590484 /nfs/dbraw/zinc/59/04/84/776590484.db2.gz WAZUYJHHEAPTMC-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1ccno1 ZINC001167841840 776607807 /nfs/dbraw/zinc/60/78/07/776607807.db2.gz SEWXNAFSQSNCRL-ZDUSSCGKSA-N 2 0 253.390 2.617 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001167841908 776609730 /nfs/dbraw/zinc/60/97/30/776609730.db2.gz UISQSEJQCOZBGW-DLBZAZTESA-N 2 0 283.504 2.911 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001167842442 776613011 /nfs/dbraw/zinc/61/30/11/776613011.db2.gz XIZSRJUPNCMBFE-HZPDHXFCSA-N 2 0 270.461 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001167842443 776613426 /nfs/dbraw/zinc/61/34/26/776613426.db2.gz XIZSRJUPNCMBFE-JKSUJKDBSA-N 2 0 270.461 2.854 20 0 CFADRP C[NH+](C)[C@H]1CC[C@H](Oc2ccc3c(c2)CC[N@@H+](C)C3)CC1 ZINC001228945563 776666255 /nfs/dbraw/zinc/66/62/55/776666255.db2.gz VRSKIKSSPVFFRT-QAQDUYKDSA-N 2 0 288.435 2.926 20 0 CFADRP C[NH+](C)Cc1ccc(CSCC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC001167891298 776727192 /nfs/dbraw/zinc/72/71/92/776727192.db2.gz MAJKJFHRLIRBOS-BTTYYORXSA-N 2 0 294.464 2.963 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CC3(C2)CCC[NH2+]C3)CC(C)(C)C1 ZINC000709848019 776781731 /nfs/dbraw/zinc/78/17/31/776781731.db2.gz CZEHIBIPMAXZMK-UONOGXRCSA-N 2 0 250.430 2.887 20 0 CFADRP Cn1c(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc2ccccc21 ZINC001139872743 776830064 /nfs/dbraw/zinc/83/00/64/776830064.db2.gz VTRIXOFNPRYIOH-UHFFFAOYSA-N 2 0 283.419 2.706 20 0 CFADRP CC[N@@H+]1CC[C@@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC001229625968 776859509 /nfs/dbraw/zinc/85/95/09/776859509.db2.gz JLQNNJZICXMUOL-CZUORRHYSA-N 2 0 262.397 2.782 20 0 CFADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)ccn1 ZINC001167916147 776869379 /nfs/dbraw/zinc/86/93/79/776869379.db2.gz GAXVLJVLLWUVKR-BCDXTJNWSA-N 2 0 285.435 2.682 20 0 CFADRP CC[NH+]1CCC(Oc2ccccc2C[NH+](C)C)CC1 ZINC001229699175 776874712 /nfs/dbraw/zinc/87/47/12/776874712.db2.gz JXYDPDWUEMLJSB-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918505 776916438 /nfs/dbraw/zinc/91/64/38/776916438.db2.gz JRSPAVLOHZRYAU-ZSHCYNCHSA-N 2 0 288.410 2.960 20 0 CFADRP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918886 776918424 /nfs/dbraw/zinc/91/84/24/776918424.db2.gz NHWOIHMNTZKCCX-FVQHAEBGSA-N 2 0 270.420 2.821 20 0 CFADRP CC[N@@H+]1CCC[C@H](Oc2ccc(-n3ccnc3)cc2)C1 ZINC001229953591 776923248 /nfs/dbraw/zinc/92/32/48/776923248.db2.gz BPXPENYLRPOQDW-INIZCTEOSA-N 2 0 271.364 2.735 20 0 CFADRP C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709971095 776949702 /nfs/dbraw/zinc/94/97/02/776949702.db2.gz MJWFUWSRGQBADB-PBHICJAKSA-N 2 0 276.399 2.832 20 0 CFADRP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+]([C@H]2C[C@H]4C[C@H]4C2)C3)c1 ZINC001167938711 776986427 /nfs/dbraw/zinc/98/64/27/776986427.db2.gz GNBMVLKWKPHUJE-UYVKZUBASA-N 2 0 286.419 2.832 20 0 CFADRP C[N@H+](CCSCc1ccccc1)C1CC[NH2+]CC1 ZINC000261786159 776991304 /nfs/dbraw/zinc/99/13/04/776991304.db2.gz FXHMEBPXVRMYBW-UHFFFAOYSA-N 2 0 264.438 2.604 20 0 CFADRP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167952067 777197024 /nfs/dbraw/zinc/19/70/24/777197024.db2.gz MPYQEPHFDDQWKY-PIIMJCKOSA-N 2 0 293.499 2.525 20 0 CFADRP Cc1c(F)ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1F ZINC001231474358 777229444 /nfs/dbraw/zinc/22/94/44/777229444.db2.gz HNFCMEISBVEZIA-OCCSQVGLSA-N 2 0 280.362 2.657 20 0 CFADRP Cc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1C ZINC001231483483 777235404 /nfs/dbraw/zinc/23/54/04/777235404.db2.gz SUVJQDGORMPFDI-AEFFLSMTSA-N 2 0 272.436 2.995 20 0 CFADRP Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167962045 777332582 /nfs/dbraw/zinc/33/25/82/777332582.db2.gz SYFFFRIWNIRFEO-ALOPSCKCSA-N 2 0 286.419 2.887 20 0 CFADRP CC(C)[N@H+](Cc1cccc2c[nH]nc21)C1CCN(C)CC1 ZINC001231974691 777398681 /nfs/dbraw/zinc/39/86/81/777398681.db2.gz LFHBYMNCKLHTDA-UHFFFAOYSA-N 2 0 286.423 2.868 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232012001 777411109 /nfs/dbraw/zinc/41/11/09/777411109.db2.gz SEXDMYDNOWIOQF-LRDDRELGSA-N 2 0 271.364 2.564 20 0 CFADRP CC1(C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@](C)(CO)C1 ZINC001232010858 777411305 /nfs/dbraw/zinc/41/13/05/777411305.db2.gz FBYYMALAUJZFDK-INIZCTEOSA-N 2 0 273.380 2.546 20 0 CFADRP c1c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013825 777412599 /nfs/dbraw/zinc/41/25/99/777412599.db2.gz GTIKCKWUUKEEHU-INIZCTEOSA-N 2 0 294.358 2.611 20 0 CFADRP c1c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)[nH]c2cc[nH+]cc12 ZINC001232012779 777412657 /nfs/dbraw/zinc/41/26/57/777412657.db2.gz RAKGMNGZCPUKEH-MRXNPFEDSA-N 2 0 271.364 2.565 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001232015000 777413303 /nfs/dbraw/zinc/41/33/03/777413303.db2.gz ZHYSXSFAZJZDCV-INIZCTEOSA-N 2 0 284.407 2.623 20 0 CFADRP CCN(CC[NH+]1CCCCC1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015968 777414442 /nfs/dbraw/zinc/41/44/42/777414442.db2.gz PHIKBIORDLHFFB-UHFFFAOYSA-N 2 0 286.423 2.871 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cc2ccncc2[nH]1 ZINC001232098024 777439875 /nfs/dbraw/zinc/43/98/75/777439875.db2.gz YGFLEINVAIZHPB-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCO1 ZINC001167975297 777442732 /nfs/dbraw/zinc/44/27/32/777442732.db2.gz NUJHMIKQMTULFQ-OAJAPDJCSA-N 2 0 278.440 2.549 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@@]13CCCOC3)C2 ZINC001167977839 777446301 /nfs/dbraw/zinc/44/63/01/777446301.db2.gz GFIDUWDOQXQZST-PYWTVGQWSA-N 2 0 290.451 2.551 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001232144985 777450041 /nfs/dbraw/zinc/45/00/41/777450041.db2.gz QQMDGGVQVHZNPV-HIFRSBDPSA-N 2 0 298.352 2.974 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@](C)(O)C2)c1 ZINC001232143746 777450096 /nfs/dbraw/zinc/45/00/96/777450096.db2.gz CJBUCWDLHJAWSI-KRWDZBQOSA-N 2 0 294.414 2.624 20 0 CFADRP CC(C)O[C@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232148896 777451344 /nfs/dbraw/zinc/45/13/44/777451344.db2.gz GSCXTZXHWCYCGH-KRWDZBQOSA-N 2 0 294.414 2.887 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC3CC(C3)C2)c1 ZINC001232148718 777451451 /nfs/dbraw/zinc/45/14/51/777451451.db2.gz FRCJGPDECMGYOM-UHFFFAOYSA-N 2 0 262.372 2.729 20 0 CFADRP C[N@H+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985068 777468962 /nfs/dbraw/zinc/46/89/62/777468962.db2.gz UIPAQJRCLSMKHL-SJPCQFCGSA-N 2 0 278.440 2.503 20 0 CFADRP Cc1cnc2n1CCC21CC[NH+](Cc2cnsc2)CC1 ZINC001232223852 777481207 /nfs/dbraw/zinc/48/12/07/777481207.db2.gz BKAOQYQRQAGEFC-UHFFFAOYSA-N 2 0 288.420 2.586 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O)c2ncccc12 ZINC001232278886 777506860 /nfs/dbraw/zinc/50/68/60/777506860.db2.gz JVWWDAOGPIWFLL-UHFFFAOYSA-N 2 0 299.418 2.858 20 0 CFADRP C[NH2+]CCN(C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(C)(C)C ZINC001168002466 777564419 /nfs/dbraw/zinc/56/44/19/777564419.db2.gz SXYOJJIUTCBURK-SJPCQFCGSA-N 2 0 293.499 2.712 20 0 CFADRP COCC[N@H+](Cc1cc(C)cc(F)c1)C1CCN(C)CC1 ZINC001143586706 777573653 /nfs/dbraw/zinc/57/36/53/777573653.db2.gz TUTDTGYOSRKCOJ-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP CCc1csc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC001232475199 777575048 /nfs/dbraw/zinc/57/50/48/777575048.db2.gz JZFITAWDWYASMT-UHFFFAOYSA-N 2 0 279.453 2.623 20 0 CFADRP C[C@H]1CC([NH2+]C(C)(C)CO)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006295 777579978 /nfs/dbraw/zinc/57/99/78/777579978.db2.gz MUXXDULACHEBPY-GJZGRUSLSA-N 2 0 290.451 2.789 20 0 CFADRP CO[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001168006748 777581715 /nfs/dbraw/zinc/58/17/15/777581715.db2.gz OPDOSMCIZULMPB-XYAUDYEYSA-N 2 0 292.467 2.891 20 0 CFADRP C[C@H]1CC(NC(C)(C)C[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168010779 777608470 /nfs/dbraw/zinc/60/84/70/777608470.db2.gz KYSPKPFCKYHGAY-GJZGRUSLSA-N 2 0 289.467 2.755 20 0 CFADRP C[N@@H+](Cc1ccccc1-n1cccn1)CC1CC[NH+](C)CC1 ZINC000093088628 777618775 /nfs/dbraw/zinc/61/87/75/777618775.db2.gz KCXADZAZCOZUJF-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168017982 777666230 /nfs/dbraw/zinc/66/62/30/777666230.db2.gz YITREAWGKNYCPH-MVJTYMMSSA-N 2 0 288.435 2.807 20 0 CFADRP C[N@@H+](Cc1ccc2ncoc2c1)CC1CC[NH+](C)CC1 ZINC001232940895 777731003 /nfs/dbraw/zinc/73/10/03/777731003.db2.gz IGIYELFWCRDLBF-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP C[C@H](C[NH3+])CNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031127 777733197 /nfs/dbraw/zinc/73/31/97/777733197.db2.gz XWHZOXPUCAMOCY-PMPSAXMXSA-N 2 0 289.467 2.612 20 0 CFADRP COc1ncc(CN(C)CCC[NH+](C)C)c2ccccc21 ZINC001232947097 777733418 /nfs/dbraw/zinc/73/34/18/777733418.db2.gz VHTOIEMYPLGBEW-UHFFFAOYSA-N 2 0 287.407 2.627 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C2CC(OC(C)(C)C)C2)C1 ZINC000341615925 777878231 /nfs/dbraw/zinc/87/82/31/777878231.db2.gz BQJKRECKAJQKQM-WLYUNCDWSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1ncc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001233366798 777912883 /nfs/dbraw/zinc/91/28/83/777912883.db2.gz SOHGBGMCRZANML-OAHLLOKOSA-N 2 0 277.412 2.823 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC001168074982 777941098 /nfs/dbraw/zinc/94/10/98/777941098.db2.gz MACXFBOVLGJXAN-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000714258954 777975082 /nfs/dbraw/zinc/97/50/82/777975082.db2.gz WLJWJAFCGJNUDY-YLFCFFPRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1CCO[C@@H](C)C1 ZINC001168094776 778031140 /nfs/dbraw/zinc/03/11/40/778031140.db2.gz ZITHNOZSQWSMMZ-VYDXJSESSA-N 2 0 276.424 2.651 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168104445 778048498 /nfs/dbraw/zinc/04/84/98/778048498.db2.gz UPVPDOHXAJOKNW-YHUYYLMFSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CCO1 ZINC001168120609 778093439 /nfs/dbraw/zinc/09/34/39/778093439.db2.gz XKAUZSRXIGXIEL-RDJZCZTQSA-N 2 0 292.467 2.894 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001168171052 778204722 /nfs/dbraw/zinc/20/47/22/778204722.db2.gz UJJPOTGLXOMIAC-DDTOSNHZSA-N 2 0 252.789 2.740 20 0 CFADRP CC1(Nc2ccc3c(c2)C2(CC3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001168187906 778231361 /nfs/dbraw/zinc/23/13/61/778231361.db2.gz XBSKQVJCQQWRPZ-UHFFFAOYSA-N 2 0 299.462 2.808 20 0 CFADRP COCC[N@H+](C1CCC(C)CC1)C1CCN(C)CC1 ZINC001168216986 778255258 /nfs/dbraw/zinc/25/52/58/778255258.db2.gz HFDVZYBAIGGILO-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(N[C@H]3C[NH2+]CC[C@H]3F)cc21 ZINC001168230912 778261451 /nfs/dbraw/zinc/26/14/51/778261451.db2.gz GOZDYCKQTCSBIJ-CVEARBPZSA-N 2 0 289.398 2.800 20 0 CFADRP Cc1ccc2c(N[C@H]3C[NH2+]CC[C@H]3F)cc[nH+]c2c1 ZINC001168234844 778263712 /nfs/dbraw/zinc/26/37/12/778263712.db2.gz SPYLQICCPGYABM-DOMZBBRYSA-N 2 0 259.328 2.655 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC001168241410 778267208 /nfs/dbraw/zinc/26/72/08/778267208.db2.gz IRSCJLPMMUSNNR-CGZBRXJRSA-N 2 0 288.435 2.625 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H]([NH+](C)C)CC1)C2 ZINC001168251329 778273194 /nfs/dbraw/zinc/27/31/94/778273194.db2.gz IRSCJLPMMUSNNR-ULQDDVLXSA-N 2 0 288.435 2.625 20 0 CFADRP Fc1cc(F)c(CCN2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC001234990660 778346767 /nfs/dbraw/zinc/34/67/67/778346767.db2.gz CGYFRZZGVXHFRT-MRXNPFEDSA-N 2 0 298.352 2.722 20 0 CFADRP Clc1cccc(CCN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234994161 778347251 /nfs/dbraw/zinc/34/72/51/778347251.db2.gz PTARUSOWLSRFCT-MRXNPFEDSA-N 2 0 278.827 2.958 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2c(c1)CCCC2 ZINC001235031130 778360385 /nfs/dbraw/zinc/36/03/85/778360385.db2.gz COVRNJXJCODLHS-GOSISDBHSA-N 2 0 270.420 2.751 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235037007 778362391 /nfs/dbraw/zinc/36/23/91/778362391.db2.gz AYTOESZUMPSXIR-QZTJIDSGSA-N 2 0 288.435 2.620 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041372 778363774 /nfs/dbraw/zinc/36/37/74/778363774.db2.gz POQJCNZBGFULPZ-YLFCFFPRSA-N 2 0 260.425 2.807 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(N4CCCC4)c3)C2)C1 ZINC001235097777 778377996 /nfs/dbraw/zinc/37/79/96/778377996.db2.gz CQRZCOPIMAWKNQ-LJQANCHMSA-N 2 0 299.462 2.814 20 0 CFADRP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](C1CC1)CC2 ZINC001277922512 778379195 /nfs/dbraw/zinc/37/91/95/778379195.db2.gz LYIHCANIXLAUEL-UHFFFAOYSA-N 2 0 277.437 2.512 20 0 CFADRP CCOc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1C ZINC001235105357 778382819 /nfs/dbraw/zinc/38/28/19/778382819.db2.gz CDAVMORGUWBQKY-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP C[Si](C)(C)c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC001235110099 778384612 /nfs/dbraw/zinc/38/46/12/778384612.db2.gz IOGNLMHUDXQJDM-UHFFFAOYSA-N 2 0 288.511 2.560 20 0 CFADRP c1ccc(C2CC2)c(CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235111158 778384624 /nfs/dbraw/zinc/38/46/24/778384624.db2.gz OXXWCZRRDYIEHG-KRWDZBQOSA-N 2 0 256.393 2.892 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC2(CNc3ccccc32)CC1 ZINC001235141115 778395338 /nfs/dbraw/zinc/39/53/38/778395338.db2.gz ULXWHDTZTDWRHT-UHFFFAOYSA-N 2 0 287.451 2.965 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185464 778405311 /nfs/dbraw/zinc/40/53/11/778405311.db2.gz VSYRKGBUIITTSC-CVEARBPZSA-N 2 0 258.409 2.599 20 0 CFADRP C[C@@H](CCCC(C)(C)O)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298311 778411613 /nfs/dbraw/zinc/41/16/13/778411613.db2.gz LVINPEJVZCRRSP-NFOMZHRRSA-N 2 0 270.461 2.779 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(N)cc1 ZINC001168300336 778415461 /nfs/dbraw/zinc/41/54/61/778415461.db2.gz UVBXADCOEOXJLX-UWTIGNOOSA-N 2 0 261.413 2.792 20 0 CFADRP C[C@H](C[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC001235210566 778416493 /nfs/dbraw/zinc/41/64/93/778416493.db2.gz NBQHPZCXJOMJIB-QTXLCTLRSA-N 2 0 266.388 2.832 20 0 CFADRP C[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)CC(C)(C)CC[NH3+] ZINC001168303761 778417790 /nfs/dbraw/zinc/41/77/90/778417790.db2.gz BWNAIZBKWZFCKQ-QQFBHYJXSA-N 3 0 283.504 2.850 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(CC(C)(C)C)C2)CC1 ZINC001168305560 778419268 /nfs/dbraw/zinc/41/92/68/778419268.db2.gz MWWHMAGXLVWXOD-PCKAHOCUSA-N 2 0 281.488 2.569 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC001168305802 778419456 /nfs/dbraw/zinc/41/94/56/778419456.db2.gz RADXWNWLZKOEIE-UHFFFAOYSA-N 3 0 295.515 2.959 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCN(CC3CCCC3)C2)CC1 ZINC001168305161 778419542 /nfs/dbraw/zinc/41/95/42/778419542.db2.gz JUYGAKNCBHISTM-ADKAHSJRSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235228060 778421447 /nfs/dbraw/zinc/42/14/47/778421447.db2.gz HHJRJWYQZPHYNG-MRXNPFEDSA-N 2 0 261.413 2.677 20 0 CFADRP c1cc2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)cnc2[nH]1 ZINC001235228582 778422825 /nfs/dbraw/zinc/42/28/25/778422825.db2.gz JDZWKWLFXAJPTL-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1)C1CCOCC1 ZINC001235231152 778422872 /nfs/dbraw/zinc/42/28/72/778422872.db2.gz COUSOHFXOSKCCS-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP Oc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235229131 778423002 /nfs/dbraw/zinc/42/30/02/778423002.db2.gz OFYJLLVTJNJPPW-QGZVFWFLSA-N 2 0 292.398 2.885 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235230577 778423149 /nfs/dbraw/zinc/42/31/49/778423149.db2.gz PMTXAGRVTJTSPF-QGZVFWFLSA-N 2 0 274.408 2.746 20 0 CFADRP OCc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235234361 778424163 /nfs/dbraw/zinc/42/41/63/778424163.db2.gz YDDXCRGHOQVMSS-GOSISDBHSA-N 2 0 288.435 2.533 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001168314397 778425845 /nfs/dbraw/zinc/42/58/45/778425845.db2.gz FTGJVMKLZXUQDF-QDIHITRGSA-N 2 0 278.440 2.693 20 0 CFADRP Oc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235239110 778426477 /nfs/dbraw/zinc/42/64/77/778426477.db2.gz IULMSNUEDHBGOO-OAHLLOKOSA-N 2 0 292.398 2.885 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001235240958 778427800 /nfs/dbraw/zinc/42/78/00/778427800.db2.gz OFVBQIVRLIJVFC-IEBWSBKVSA-N 2 0 299.462 2.716 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc([C@H]3CC[N@H+](C)C3)cc2)C1 ZINC001168317887 778428921 /nfs/dbraw/zinc/42/89/21/778428921.db2.gz UTJIJHCVBPVDJX-HNNXBMFYSA-N 2 0 273.424 2.610 20 0 CFADRP COc1cccc(C[N@H+](C)C2CCC([NH+](C)C)CC2)c1 ZINC001168322434 778431110 /nfs/dbraw/zinc/43/11/10/778431110.db2.gz BKWAPVKKCRRSCW-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP CCOC(=O)[C@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)[C@@H]1C ZINC001168324620 778432402 /nfs/dbraw/zinc/43/24/02/778432402.db2.gz RRLLLSIOCOLFIK-LMPOIIKSSA-N 2 0 296.455 2.523 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001168323738 778433383 /nfs/dbraw/zinc/43/33/83/778433383.db2.gz BPVFSOFCTTWFHI-PNESKVBLSA-N 2 0 260.372 2.836 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC001235255186 778434876 /nfs/dbraw/zinc/43/48/76/778434876.db2.gz CZMKLNVBPCUSLI-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235263265 778438021 /nfs/dbraw/zinc/43/80/21/778438021.db2.gz TWLQUARODHHVRB-HZPDHXFCSA-N 2 0 296.455 2.574 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]12 ZINC001235286193 778443683 /nfs/dbraw/zinc/44/36/83/778443683.db2.gz XZRKPNHSQHLMFJ-MIFYACCESA-N 2 0 270.401 2.804 20 0 CFADRP COc1c(C)cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1C ZINC001235334966 778458014 /nfs/dbraw/zinc/45/80/14/778458014.db2.gz JJUMJCCSQIDEAE-UHFFFAOYSA-N 2 0 288.435 2.743 20 0 CFADRP C[C@H](CCCC(C)(C)O)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168357476 778459896 /nfs/dbraw/zinc/45/98/96/778459896.db2.gz BDTSJWPDDHOMAF-CQSZACIVSA-N 2 0 282.472 2.780 20 0 CFADRP c1ccc(CCCCC[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235342438 778461739 /nfs/dbraw/zinc/46/17/39/778461739.db2.gz VQYDQDJTKPJDNQ-KRWDZBQOSA-N 2 0 272.436 2.941 20 0 CFADRP CCC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235362154 778468810 /nfs/dbraw/zinc/46/88/10/778468810.db2.gz LRBRLECNXUNPRX-IRXDYDNUSA-N 2 0 258.409 2.650 20 0 CFADRP [NH3+]CCc1nn(C2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC001168360333 778481800 /nfs/dbraw/zinc/48/18/00/778481800.db2.gz OFCTZKJZIHYEKR-UHFFFAOYSA-N 2 0 298.434 2.584 20 0 CFADRP Oc1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235428074 778486501 /nfs/dbraw/zinc/48/65/01/778486501.db2.gz OLJNMVUZXDTRLK-HUUCEWRRSA-N 2 0 292.398 2.743 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH2+]CC2)c(C)c1 ZINC001235434006 778487920 /nfs/dbraw/zinc/48/79/20/778487920.db2.gz WHWCVPMDPGRGBS-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1ccc(Br)cc1 ZINC001235435591 778489860 /nfs/dbraw/zinc/48/98/60/778489860.db2.gz RGEKHCFQYFOHTF-UHFFFAOYSA-N 2 0 285.229 2.662 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000697877663 778491246 /nfs/dbraw/zinc/49/12/46/778491246.db2.gz MFTVNPBKSGHPQQ-QWHCGFSZSA-N 2 0 252.377 2.687 20 0 CFADRP C(COC1CCCCC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168362691 778511286 /nfs/dbraw/zinc/51/12/86/778511286.db2.gz BZQVLMDNXGQOAY-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]CCCC[NH+]1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC001235574051 778518719 /nfs/dbraw/zinc/51/87/19/778518719.db2.gz FFRKWOAWNFLRTN-KRWDZBQOSA-N 2 0 288.435 2.764 20 0 CFADRP C[NH2+]CCCN1CCCC[C@@H]1c1ccccc1F ZINC001235681266 778536234 /nfs/dbraw/zinc/53/62/34/778536234.db2.gz XASMMMNSNGPYOG-OAHLLOKOSA-N 2 0 250.361 2.962 20 0 CFADRP COCC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235688015 778537407 /nfs/dbraw/zinc/53/74/07/778537407.db2.gz LRYLXPXHBQQQII-SFHVURJKSA-N 2 0 288.435 2.723 20 0 CFADRP Cc1ccc(O[C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235689292 778537957 /nfs/dbraw/zinc/53/79/57/778537957.db2.gz ZAZDBGSBMNLZAG-FUHWJXTLSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccc(O[C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235689420 778538216 /nfs/dbraw/zinc/53/82/16/778538216.db2.gz ZAZDBGSBMNLZAG-WMZOPIPTSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@H]1C ZINC001235694387 778539455 /nfs/dbraw/zinc/53/94/55/778539455.db2.gz DUBTVDZRRBKISU-HOTGVXAUSA-N 2 0 287.451 2.717 20 0 CFADRP CC(C)[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)CC1CC1 ZINC001235694443 778539841 /nfs/dbraw/zinc/53/98/41/778539841.db2.gz FUYBKVIOQMHXEL-UHFFFAOYSA-N 2 0 258.409 2.953 20 0 CFADRP COc1cccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235702360 778541985 /nfs/dbraw/zinc/54/19/85/778541985.db2.gz SYAZRSFDAAKCBB-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP CNc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235703016 778542569 /nfs/dbraw/zinc/54/25/69/778542569.db2.gz NZXJRGSJELZAJW-UHFFFAOYSA-N 2 0 287.451 2.940 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2c(c1)CCC2 ZINC001235713178 778544551 /nfs/dbraw/zinc/54/45/51/778544551.db2.gz DYNHSLUKVCHMGH-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP COc1cc(C[N@H+](C)CCC2CC[NH2+]CC2)ccc1C ZINC001235717390 778546627 /nfs/dbraw/zinc/54/66/27/778546627.db2.gz SVQBDZQJVHNOSS-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC[C@H]([NH3+])CN(C)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001235718623 778546980 /nfs/dbraw/zinc/54/69/80/778546980.db2.gz KJPSQMTVUCCIJQ-RYQLBKOJSA-N 2 0 289.467 2.566 20 0 CFADRP Cn1ccc2ccc(C[N@H+](C)CCC3CC[NH2+]CC3)cc21 ZINC001235717320 778547044 /nfs/dbraw/zinc/54/70/44/778547044.db2.gz QTPZDPAPMUUDOF-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cccc2c1CCC2 ZINC001235717041 778547049 /nfs/dbraw/zinc/54/70/49/778547049.db2.gz BRVKHNUUNFAIQI-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP c1cc(C[N@@H+]2CCC3(CCCC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001235725201 778547954 /nfs/dbraw/zinc/54/79/54/778547954.db2.gz JPZDSFXCESDZOE-UHFFFAOYSA-N 2 0 299.462 2.862 20 0 CFADRP CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235774215 778556431 /nfs/dbraw/zinc/55/64/31/778556431.db2.gz PDIPGDXZFVXPGP-CQSZACIVSA-N 2 0 296.455 2.572 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001235825665 778569748 /nfs/dbraw/zinc/56/97/48/778569748.db2.gz POMQWWOCZKKCOX-LBPRGKRZSA-N 2 0 252.789 2.868 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CO1 ZINC001235865351 778584908 /nfs/dbraw/zinc/58/49/08/778584908.db2.gz CPWKSAMMBCFEPZ-ILXRZTDVSA-N 2 0 266.429 2.756 20 0 CFADRP Cc1cc(Oc2ccccc2)ccc1CN(CC[NH3+])CC[NH3+] ZINC001235879290 778588386 /nfs/dbraw/zinc/58/83/86/778588386.db2.gz BHKKWWDJZLROCR-UHFFFAOYSA-N 2 0 299.418 2.507 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001235883144 778589321 /nfs/dbraw/zinc/58/93/21/778589321.db2.gz XRZHNOUNIMEGKH-CYBMUJFWSA-N 2 0 297.240 2.977 20 0 CFADRP CCn1ccc2c1cccc2CN1C[C@H]([NH3+])CC[C@H]1C ZINC001235906876 778604542 /nfs/dbraw/zinc/60/45/42/778604542.db2.gz PCYLHRINLHWMTO-UKRRQHHQSA-N 2 0 271.408 2.973 20 0 CFADRP c1ccc2cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001235930956 778613626 /nfs/dbraw/zinc/61/36/26/778613626.db2.gz YQTCZBSGQWEGAM-QZTJIDSGSA-N 2 0 266.388 2.881 20 0 CFADRP CC(C)(C)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235937994 778618272 /nfs/dbraw/zinc/61/82/72/778618272.db2.gz KFCPVXISCKXLRY-JKSUJKDBSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235940251 778619493 /nfs/dbraw/zinc/61/94/93/778619493.db2.gz RSAARBYDFZCUPZ-IRXDYDNUSA-N 2 0 288.435 2.763 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235941820 778619684 /nfs/dbraw/zinc/61/96/84/778619684.db2.gz XCFSBFQMQRAXPU-JKSUJKDBSA-N 2 0 258.409 2.599 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1Cl)C[C@H]1CCC[NH2+]C1 ZINC001235950435 778623849 /nfs/dbraw/zinc/62/38/49/778623849.db2.gz FYGORHNLVAMYLU-LBPRGKRZSA-N 2 0 284.806 2.953 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C[C@@H]1CC1(C)C ZINC001235957993 778626691 /nfs/dbraw/zinc/62/66/91/778626691.db2.gz AFSKWGKCAISVKH-INIZCTEOSA-N 2 0 258.409 2.810 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC001235958416 778627413 /nfs/dbraw/zinc/62/74/13/778627413.db2.gz DVHGYAOMZCVISW-AGGWBTHJSA-N 2 0 264.800 2.552 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCCCC13CC3)C[NH2+]CC2 ZINC001235958919 778627960 /nfs/dbraw/zinc/62/79/60/778627960.db2.gz BUARVFZDKUSXFJ-UHFFFAOYSA-N 2 0 256.393 2.851 20 0 CFADRP [NH3+]Cc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1F ZINC001168368639 778628418 /nfs/dbraw/zinc/62/84/18/778628418.db2.gz NNAMJRYIPGFEJP-UHFFFAOYSA-N 2 0 277.387 2.571 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001235960049 778629925 /nfs/dbraw/zinc/62/99/25/778629925.db2.gz UEFQWQWTKUXALT-MIFYACCESA-N 2 0 278.827 2.942 20 0 CFADRP C[C@H]1C[C@H]1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974623 778635386 /nfs/dbraw/zinc/63/53/86/778635386.db2.gz PUQIVTOSAGHHGP-HOCLYGCPSA-N 2 0 270.420 2.779 20 0 CFADRP Clc1ccc(O[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001235974439 778635716 /nfs/dbraw/zinc/63/57/16/778635716.db2.gz ROOLFYKDNSBAQM-CZUORRHYSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@@H]([NH3+])c1ccccc1-c1ccc(N2CC[NH+](C)CC2)nc1 ZINC001235977744 778636361 /nfs/dbraw/zinc/63/63/61/778636361.db2.gz HBCFUPNDGHWYLC-CQSZACIVSA-N 2 0 296.418 2.520 20 0 CFADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCCCc1ccccc1)C2 ZINC001235978139 778637035 /nfs/dbraw/zinc/63/70/35/778637035.db2.gz IKBVXURMUDBKTO-IAGOWNOFSA-N 2 0 258.409 2.823 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H]4CC[C@]4([NH3+])C3)cc21 ZINC001235998629 778648463 /nfs/dbraw/zinc/64/84/63/778648463.db2.gz YFMRIRXQFXXXRF-APWZRJJASA-N 2 0 297.446 2.611 20 0 CFADRP CCOc1ccc(C)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236010266 778653725 /nfs/dbraw/zinc/65/37/25/778653725.db2.gz VAWIEHCILUSFFO-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCc1ccc(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)o1 ZINC001236012885 778653803 /nfs/dbraw/zinc/65/38/03/778653803.db2.gz SYOMASLZKRDJNP-APWZRJJASA-N 2 0 296.414 2.815 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc3cc(OC)ccc3s2)C1 ZINC001236065595 778678430 /nfs/dbraw/zinc/67/84/30/778678430.db2.gz BWAAKOMKAIQZAW-GFCCVEGCSA-N 2 0 290.432 2.951 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236067280 778679635 /nfs/dbraw/zinc/67/96/35/778679635.db2.gz PCOWDOPZELTXLZ-INIZCTEOSA-N 2 0 297.446 2.947 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236066464 778679762 /nfs/dbraw/zinc/67/97/62/778679762.db2.gz HTJFNQVICCBBSV-HNNXBMFYSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@H]1CCCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373862 778702860 /nfs/dbraw/zinc/70/28/60/778702860.db2.gz WDTPPMQMDFWXLD-AWEZNQCLSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)=CCC[C@@H](C)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236127883 778705591 /nfs/dbraw/zinc/70/55/91/778705591.db2.gz HQMBUZJWPGLAEJ-QGZVFWFLSA-N 2 0 293.499 2.739 20 0 CFADRP CCC[N@H+](CCc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC001236180493 778729083 /nfs/dbraw/zinc/72/90/83/778729083.db2.gz KRWJOQNWLXGNHP-UHFFFAOYSA-N 2 0 282.378 2.971 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216841 778741201 /nfs/dbraw/zinc/74/12/01/778741201.db2.gz XFOWKJBIRLMPEG-KRWDZBQOSA-N 2 0 279.472 2.515 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[NH+]2C3CCCC2CCC3)CO1 ZINC001236230274 778745717 /nfs/dbraw/zinc/74/57/17/778745717.db2.gz KPIRIMWKANSAPL-HSBZDZAISA-N 2 0 252.402 2.508 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCC[NH3+] ZINC001236238057 778747561 /nfs/dbraw/zinc/74/75/61/778747561.db2.gz YASARZVTMOVBHQ-KKUMJFAQSA-N 2 0 296.455 2.700 20 0 CFADRP CO[C@@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001168379064 778750415 /nfs/dbraw/zinc/75/04/15/778750415.db2.gz BQRVTVJJHBSYFV-BPQIPLTHSA-N 2 0 292.467 2.608 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001236266443 778757416 /nfs/dbraw/zinc/75/74/16/778757416.db2.gz SJHMOUOQIOVYJV-UHFFFAOYSA-N 2 0 278.465 2.994 20 0 CFADRP FC[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168391075 778774231 /nfs/dbraw/zinc/77/42/31/778774231.db2.gz LQFVZEUCMNVMTF-AWEZNQCLSA-N 2 0 254.393 2.542 20 0 CFADRP CC(C)Oc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236316146 778775633 /nfs/dbraw/zinc/77/56/33/778775633.db2.gz PGVZIKPKJLDCGJ-CALCHBBNSA-N 2 0 288.435 2.905 20 0 CFADRP c1cnc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236315553 778775681 /nfs/dbraw/zinc/77/56/81/778775681.db2.gz LBSRBEDTUSTAIE-GASCZTMLSA-N 2 0 281.403 2.666 20 0 CFADRP Fc1cccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)[nH]c21 ZINC001236321313 778778715 /nfs/dbraw/zinc/77/87/15/778778715.db2.gz PTGVFLCMQRXGNA-OKILXGFUSA-N 2 0 287.382 2.738 20 0 CFADRP Cc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321814 778779574 /nfs/dbraw/zinc/77/95/74/778779574.db2.gz MFZWRCXMLLHOLN-BETUJISGSA-N 2 0 280.362 2.705 20 0 CFADRP C[NH2+]Cc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001236357289 778790695 /nfs/dbraw/zinc/79/06/95/778790695.db2.gz DTBMSCIJQXTDFO-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP c1cc2c(c(-c3ccc(O[C@H]4CC[NH2+]C4)cc3)c1)CC[NH2+]C2 ZINC001236360729 778791535 /nfs/dbraw/zinc/79/15/35/778791535.db2.gz SSCJSSOHYREDGJ-KRWDZBQOSA-N 2 0 294.398 2.740 20 0 CFADRP CN1CCC[C@@H](C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369818 778794375 /nfs/dbraw/zinc/79/43/75/778794375.db2.gz DIWYNBHGHZOZCP-DLBZAZTESA-N 2 0 293.499 2.572 20 0 CFADRP [NH3+]CCCCCN(Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388167 778798024 /nfs/dbraw/zinc/79/80/24/778798024.db2.gz JWTGNIXMGQFIOL-QGZVFWFLSA-N 2 0 293.430 2.509 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CCC1CC[NH2+]CC1)CCC2 ZINC001236432937 778827325 /nfs/dbraw/zinc/82/73/25/778827325.db2.gz FXTZOCVWOLNDFV-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCC[NH2+]C2)CC2CCC2)CC1 ZINC001236542045 778871264 /nfs/dbraw/zinc/87/12/64/778871264.db2.gz SKLQEIPOEOHGEL-SZMVWBNQSA-N 3 0 293.499 2.748 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCC2)C[C@H]2CCCCN2)CC1 ZINC001236542682 778871669 /nfs/dbraw/zinc/87/16/69/778871669.db2.gz ZSUXVPRUCVUCEM-BRWVUGGUSA-N 2 0 279.472 2.501 20 0 CFADRP CC[C@@H](N)C[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556027 778875541 /nfs/dbraw/zinc/87/55/41/778875541.db2.gz PNBZTZHUDUMTIG-KZNAEPCWSA-N 2 0 289.467 2.804 20 0 CFADRP Cc1ccccc1C[N@H+](CCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554038 778875861 /nfs/dbraw/zinc/87/58/61/778875861.db2.gz AEXZCIVPDZXYOK-IYARVYRRSA-N 2 0 290.451 2.839 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCCC2)CC1 ZINC001236565477 778877326 /nfs/dbraw/zinc/87/73/26/778877326.db2.gz HSPPIMIUAZEXHS-JFIYKMOQSA-N 3 0 293.499 2.891 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584731 778886353 /nfs/dbraw/zinc/88/63/53/778886353.db2.gz RQHSOORNPHHGJT-CAOSSQGBSA-N 2 0 260.425 2.663 20 0 CFADRP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(C)c1 ZINC001236598163 778890086 /nfs/dbraw/zinc/89/00/86/778890086.db2.gz HOKINECJLPQFGZ-HNNXBMFYSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)o1 ZINC001236601635 778890970 /nfs/dbraw/zinc/89/09/70/778890970.db2.gz KVAAAXHXQUWYPS-AWEZNQCLSA-N 2 0 287.363 2.648 20 0 CFADRP c1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)cc2c1CCN2 ZINC001236648368 778903293 /nfs/dbraw/zinc/90/32/93/778903293.db2.gz QQPAWXNZCBHBJO-UHFFFAOYSA-N 2 0 285.435 2.761 20 0 CFADRP C(CN([C@@H]1CC[NH2+]C1)C1CCCCC1)C[NH+]1CCCCC1 ZINC001236649778 778904182 /nfs/dbraw/zinc/90/41/82/778904182.db2.gz ZNPQOZITNHBADE-GOSISDBHSA-N 2 0 293.499 2.859 20 0 CFADRP [NH3+]Cc1ccc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1 ZINC001236654734 778905126 /nfs/dbraw/zinc/90/51/26/778905126.db2.gz XWYMLBDGLNKAIN-GOSISDBHSA-N 2 0 287.451 2.642 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)cs1)CC2 ZINC001232279769 778915180 /nfs/dbraw/zinc/91/51/80/778915180.db2.gz FXABWEUKSMMLNL-UHFFFAOYSA-N 2 0 270.829 2.929 20 0 CFADRP C[C@H](CO)C[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001277999089 778916287 /nfs/dbraw/zinc/91/62/87/778916287.db2.gz YZSHHGBOQCJBTF-INIZCTEOSA-N 2 0 294.483 2.735 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCN2)CC2CCCCC2)CC1 ZINC001236754750 778929080 /nfs/dbraw/zinc/92/90/80/778929080.db2.gz JGFNJAJFYZVWME-ULQDDVLXSA-N 2 0 279.472 2.501 20 0 CFADRP CCC(CC)[N@H+](Cc1csc(N)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781782 778933199 /nfs/dbraw/zinc/93/31/99/778933199.db2.gz IZDZYGGMURWFSS-YEORSEQZSA-N 2 0 296.484 2.986 20 0 CFADRP CC(C)(C)C[N@H+](Cc1ccc(N)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236779456 778933766 /nfs/dbraw/zinc/93/37/66/778933766.db2.gz JKYQMKXVYDMFPF-SHTZXODSSA-N 2 0 290.455 2.782 20 0 CFADRP C[NH+](C)CCC[N@H+](C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168420437 778947617 /nfs/dbraw/zinc/94/76/17/778947617.db2.gz LAHDMNDJRCVZAM-INIZCTEOSA-N 2 0 264.388 2.567 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC001236817532 778951825 /nfs/dbraw/zinc/95/18/25/778951825.db2.gz CIOGSGYKEARNGX-NILFDRSVSA-N 2 0 264.438 2.870 20 0 CFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1C ZINC001236818992 778953117 /nfs/dbraw/zinc/95/31/17/778953117.db2.gz LNJQWSILABEBKZ-USXIJHARSA-N 2 0 288.435 2.790 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236831350 778957501 /nfs/dbraw/zinc/95/75/01/778957501.db2.gz QOMDFFZHQZPJFX-XIRDDKMYSA-N 2 0 258.409 2.727 20 0 CFADRP CCC[N@@H+](CC1Cc2ccccc2C1)C[C@H]1CC[NH2+]C1 ZINC001236835393 778959433 /nfs/dbraw/zinc/95/94/33/778959433.db2.gz MVVXFCHCQVFBBI-HNNXBMFYSA-N 2 0 272.436 2.723 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)CCC2)C[C@@H]1CC[NH2+]C1 ZINC001236835326 778959493 /nfs/dbraw/zinc/95/94/93/778959493.db2.gz LERVCCDMSMFEMV-MRXNPFEDSA-N 2 0 272.436 2.997 20 0 CFADRP Cc1[nH]c2ccc(NCC(C)(C)C[NH+](C)C)cc2[nH+]1 ZINC001168767480 778962641 /nfs/dbraw/zinc/96/26/41/778962641.db2.gz ABXIFLJOIUWUOQ-UHFFFAOYSA-N 2 0 260.385 2.871 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1cccc2c1ccn2CC ZINC001236868529 778968931 /nfs/dbraw/zinc/96/89/31/778968931.db2.gz LOROVDZZTUSVOU-AWEZNQCLSA-N 2 0 259.397 2.830 20 0 CFADRP COC(C)(C)CCC[C@@H](C)CC[N@H+](C)C[C@H](C)[NH3+] ZINC001236885352 778973312 /nfs/dbraw/zinc/97/33/12/778973312.db2.gz FAFVXLWEOXPZNA-KGLIPLIRSA-N 2 0 258.450 2.887 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@H+](CC3CC3)C3CC3)c2)CC1 ZINC001236893301 778974575 /nfs/dbraw/zinc/97/45/75/778974575.db2.gz KTCQWJNCIZJRNG-UHFFFAOYSA-N 2 0 299.462 2.813 20 0 CFADRP CC1=C[C@H](C)[C@@H](CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CC1 ZINC001236925372 778982956 /nfs/dbraw/zinc/98/29/56/778982956.db2.gz XLJKKXQJHLKXOI-KSZLIROESA-N 2 0 293.499 2.594 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236949278 778984544 /nfs/dbraw/zinc/98/45/44/778984544.db2.gz HHJXGBXVTOQKRO-UHFFFAOYSA-N 3 0 295.515 2.676 20 0 CFADRP CCN1CCc2ccc(C[N@@H+]3CCC[C@@](C)(C[NH3+])C3)cc21 ZINC001237079775 779007835 /nfs/dbraw/zinc/00/78/35/779007835.db2.gz BCLTWXIVEDFIQZ-SFHVURJKSA-N 2 0 287.451 2.630 20 0 CFADRP c1cc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC001237142872 779025807 /nfs/dbraw/zinc/02/58/07/779025807.db2.gz CIEXTPNOBHXXFO-HNNXBMFYSA-N 2 0 288.391 2.522 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001237265613 779062902 /nfs/dbraw/zinc/06/29/02/779062902.db2.gz QHYAXCOPJALMCB-UHFFFAOYSA-N 2 0 274.330 2.789 20 0 CFADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])C[C@](C)(C(F)F)O1 ZINC000698847066 779068289 /nfs/dbraw/zinc/06/82/89/779068289.db2.gz YETXOWIIHNTCFV-GXTWGEPZSA-N 2 0 278.387 2.640 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001237330157 779079347 /nfs/dbraw/zinc/07/93/47/779079347.db2.gz NLACMPWIVWDONR-SJLPKXTDSA-N 2 0 272.436 2.941 20 0 CFADRP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237379858 779085824 /nfs/dbraw/zinc/08/58/24/779085824.db2.gz DLIVKESPVQWJCJ-HOTGVXAUSA-N 2 0 296.455 2.574 20 0 CFADRP CCOc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237382785 779087721 /nfs/dbraw/zinc/08/77/21/779087721.db2.gz NHYZCJBTOSVGGQ-WBVHZDCISA-N 2 0 274.408 2.659 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237385052 779089470 /nfs/dbraw/zinc/08/94/70/779089470.db2.gz ZRDGRQZCVXJCHG-FUHWJXTLSA-N 2 0 288.435 2.702 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237400906 779096312 /nfs/dbraw/zinc/09/63/12/779096312.db2.gz BCOLYJJTXXWWIQ-DLBZAZTESA-N 2 0 258.409 2.823 20 0 CFADRP Cc1c(F)cc(F)cc1CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237405112 779098684 /nfs/dbraw/zinc/09/86/84/779098684.db2.gz PKINYHWIGVBJOU-LRDDRELGSA-N 2 0 280.362 2.847 20 0 CFADRP [NH3+]CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001237409010 779099771 /nfs/dbraw/zinc/09/97/71/779099771.db2.gz FZDDJKKECANLII-KBPBESRZSA-N 2 0 293.842 2.732 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)sc1C ZINC001237418159 779104041 /nfs/dbraw/zinc/10/40/41/779104041.db2.gz WNKWFQUXTGIULI-DZGCQCFKSA-N 2 0 264.438 2.939 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC[C@H](O)C3)cc21 ZINC001237881832 779199287 /nfs/dbraw/zinc/19/92/87/779199287.db2.gz VYAHUMPDBJECOU-INIZCTEOSA-N 2 0 286.419 2.645 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CCO[C@H](C)C3)cc21 ZINC001237881894 779199511 /nfs/dbraw/zinc/19/95/11/779199511.db2.gz YZLSDKRFZNBUCN-CQSZACIVSA-N 2 0 286.419 2.909 20 0 CFADRP CCOc1cc(F)cc(CN(CC)CCC[NH+](C)C)c1 ZINC001237923956 779209815 /nfs/dbraw/zinc/20/98/15/779209815.db2.gz OPSPJGFFGLKOBS-UHFFFAOYSA-N 2 0 282.403 2.998 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2cc3ccccc3cn2)CC1 ZINC001205101666 779211407 /nfs/dbraw/zinc/21/14/07/779211407.db2.gz IQLNHIRVTLKXJI-OAHLLOKOSA-N 2 0 255.365 2.548 20 0 CFADRP C[C@@H](C[NH+]1CCC2(CC[N@H+](C)C2)CC1)CC(F)(F)F ZINC001278183861 779237948 /nfs/dbraw/zinc/23/79/48/779237948.db2.gz JBWQBBWZSRNONH-GFCCVEGCSA-N 2 0 278.362 2.993 20 0 CFADRP CCOc1cc(CN2C[C@@H]3C[N@@H+](CC)C[C@@H]3C2)ccc1C ZINC001238077617 779248109 /nfs/dbraw/zinc/24/81/09/779248109.db2.gz YEJMNRPXSOSFMY-CALCHBBNSA-N 2 0 288.435 2.777 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCn3cccc3)C2)C1 ZINC001278188101 779253657 /nfs/dbraw/zinc/25/36/57/779253657.db2.gz CMNOKDFHFZKRNS-QGZVFWFLSA-N 2 0 275.440 2.686 20 0 CFADRP Cc1cc(N2CC[NH+](Cc3cc(O)ccc3C)CC2)cc[nH+]1 ZINC001238110230 779256611 /nfs/dbraw/zinc/25/66/11/779256611.db2.gz NJJCWHIEYNDAJC-UHFFFAOYSA-N 2 0 297.402 2.726 20 0 CFADRP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117847 779261531 /nfs/dbraw/zinc/26/15/31/779261531.db2.gz WYHQOJNPIIFKDD-AWEZNQCLSA-N 2 0 252.789 2.962 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C(C)C ZINC001205140470 779323331 /nfs/dbraw/zinc/32/33/31/779323331.db2.gz IKDHOCSVYNELHC-DZGCQCFKSA-N 2 0 276.424 2.845 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248609 779332806 /nfs/dbraw/zinc/33/28/06/779332806.db2.gz XEBYHEUTQFKKGM-IAGOWNOFSA-N 2 0 258.409 2.864 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000715272287 779378125 /nfs/dbraw/zinc/37/81/25/779378125.db2.gz RIUYJNGKWUXYSL-PIMMBPRGSA-N 2 0 260.381 2.583 20 0 CFADRP c1ncc(C2=CCC[NH2+]CC2)cc1C[NH+]1CCCCC1 ZINC001238945800 779423327 /nfs/dbraw/zinc/42/33/27/779423327.db2.gz FKXJPBXVIMXTNS-UHFFFAOYSA-N 2 0 271.408 2.834 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc(C[NH2+]C)cc2)cn1 ZINC001239214767 779477093 /nfs/dbraw/zinc/47/70/93/779477093.db2.gz PAINTRDRXZWCNR-UHFFFAOYSA-N 2 0 286.423 2.611 20 0 CFADRP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205211930 779926746 /nfs/dbraw/zinc/92/67/46/779926746.db2.gz WYLATLWIEPUQBM-GOSISDBHSA-N 2 0 290.451 2.660 20 0 CFADRP COC[C@@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000721918699 779966135 /nfs/dbraw/zinc/96/61/35/779966135.db2.gz LGAQKZYDSVWYDG-IAGOWNOFSA-N 2 0 282.472 2.617 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000721918702 779966290 /nfs/dbraw/zinc/96/62/90/779966290.db2.gz LGAQKZYDSVWYDG-SJORKVTESA-N 2 0 282.472 2.617 20 0 CFADRP CCC1(Nc2ccc(SC3CC[NH2+]CC3)cc2)C[NH2+]C1 ZINC001168585939 780009017 /nfs/dbraw/zinc/00/90/17/780009017.db2.gz AJUVHWUMOPJJCN-UHFFFAOYSA-N 2 0 291.464 2.695 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001168593890 780022519 /nfs/dbraw/zinc/02/25/19/780022519.db2.gz WGWDMQMKLLKWHW-JYJNAYRXSA-N 2 0 288.439 2.791 20 0 CFADRP Cc1nn(C)cc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001240302587 780059063 /nfs/dbraw/zinc/05/90/63/780059063.db2.gz CNFMXYZUPBDWLA-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP Cc1cc2[nH+]ccn2cc1NCC(C)(C)C[NH+](C)C ZINC001168767899 780165328 /nfs/dbraw/zinc/16/53/28/780165328.db2.gz LSVVJDZUWYYABB-UHFFFAOYSA-N 2 0 260.385 2.642 20 0 CFADRP [NH3+][C@@H]1CCc2c1cccc2-c1ccc2c(c1)CC[NH2+]C2 ZINC001240457109 780178585 /nfs/dbraw/zinc/17/85/85/780178585.db2.gz OLMUVVAMQRTCPK-GOSISDBHSA-N 2 0 264.372 2.945 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001205040970 780235003 /nfs/dbraw/zinc/23/50/03/780235003.db2.gz MRGVKIDFKGFDQK-UHFFFAOYSA-N 2 0 281.403 2.919 20 0 CFADRP CC[N@H+]1CC=C(c2cnc(C3=CCC[NH2+]C3)c(C)c2)CC1 ZINC001240653723 780329937 /nfs/dbraw/zinc/32/99/37/780329937.db2.gz YWRDNFMFLYVSCJ-UHFFFAOYSA-N 2 0 283.419 2.876 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1c1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240656472 780331129 /nfs/dbraw/zinc/33/11/29/780331129.db2.gz APORQDOMDNFDJB-MRXNPFEDSA-N 2 0 257.381 2.615 20 0 CFADRP c1cc2c(c(C3=CCC[NH2+]C3)c1)C1(CC2)CC[NH2+]CC1 ZINC001240658450 780332582 /nfs/dbraw/zinc/33/25/82/780332582.db2.gz CLBFKCCANAAJHA-UHFFFAOYSA-N 2 0 268.404 2.631 20 0 CFADRP Cc1ccc(C[NH+]2CCCC2)cc1C1=CCC[NH2+]C1 ZINC001240671421 780344741 /nfs/dbraw/zinc/34/47/41/780344741.db2.gz UWMKSHBECDQQMV-UHFFFAOYSA-N 2 0 256.393 2.968 20 0 CFADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168703224 780427680 /nfs/dbraw/zinc/42/76/80/780427680.db2.gz BNXYQPUNGOFAHI-LLVKDONJSA-N 2 0 266.816 2.913 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001205046674 780464653 /nfs/dbraw/zinc/46/46/53/780464653.db2.gz ITYKRTZWSHSFMD-UHFFFAOYSA-N 2 0 277.799 2.992 20 0 CFADRP C(c1ccc(OC2CC[NH2+]CC2)cc1)=C1CC[NH2+]CC1 ZINC001240878534 780497363 /nfs/dbraw/zinc/49/73/63/780497363.db2.gz QOWSUKVHAFBXDV-UHFFFAOYSA-N 2 0 272.392 2.584 20 0 CFADRP CC[NH+](CC)Cc1cncc(C=C2CC[NH2+]CC2)c1 ZINC001240878624 780497728 /nfs/dbraw/zinc/49/77/28/780497728.db2.gz KEGGCEVIUODHIS-UHFFFAOYSA-N 2 0 259.397 2.690 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000700798707 780721220 /nfs/dbraw/zinc/72/12/20/780721220.db2.gz BCYADOIIMDBOJU-AVOUXACISA-N 2 0 268.470 2.735 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3cncs3)cc2)CC1 ZINC001241499220 780944603 /nfs/dbraw/zinc/94/46/03/780944603.db2.gz GDXDLAYQUFVTRD-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP Cc1cc(Cl)ccc1CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703548600 781029018 /nfs/dbraw/zinc/02/90/18/781029018.db2.gz QWTAGCILBKGFNO-DZGCQCFKSA-N 2 0 264.800 2.690 20 0 CFADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000703579272 781035001 /nfs/dbraw/zinc/03/50/01/781035001.db2.gz PEHBQGNSQDAYIV-LHJGCZIBSA-N 2 0 280.456 2.580 20 0 CFADRP CC(C)CCCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000703987212 781086146 /nfs/dbraw/zinc/08/61/46/781086146.db2.gz NRGUPWKUYKZHJJ-QGZVFWFLSA-N 2 0 283.504 2.674 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCSC2)c2ccccc21 ZINC000704800127 781119870 /nfs/dbraw/zinc/11/98/70/781119870.db2.gz VINITJCUPMXLOB-KCPJHIHWSA-N 2 0 262.422 2.864 20 0 CFADRP Cn1ccc2c1cccc2-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001241822180 781144401 /nfs/dbraw/zinc/14/44/01/781144401.db2.gz SGTRSKDSHPECSJ-UHFFFAOYSA-N 2 0 292.386 2.650 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001241917941 781180774 /nfs/dbraw/zinc/18/07/74/781180774.db2.gz LZRBFYIRRVVIFI-QGZVFWFLSA-N 2 0 268.360 2.553 20 0 CFADRP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000706544786 781186510 /nfs/dbraw/zinc/18/65/10/781186510.db2.gz QMSFGJZDBMTMHM-HLPPOEQASA-N 2 0 250.430 2.933 20 0 CFADRP CSC1CC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000706888709 781213004 /nfs/dbraw/zinc/21/30/04/781213004.db2.gz PSUVKWNAASOHJA-GTPINHCMSA-N 2 0 290.476 2.992 20 0 CFADRP CC(C)[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCS1 ZINC000707280964 781243712 /nfs/dbraw/zinc/24/37/12/781243712.db2.gz ARPFGEAAEWQEEY-HNNXBMFYSA-N 2 0 296.505 2.967 20 0 CFADRP CO[C@H](C)c1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001242033372 781243988 /nfs/dbraw/zinc/24/39/88/781243988.db2.gz XGUUQKQDMPUXCS-CQSZACIVSA-N 2 0 297.402 2.866 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000709652009 781296237 /nfs/dbraw/zinc/29/62/37/781296237.db2.gz BVXZZAJBGQHYKI-MGPQQGTHSA-N 2 0 268.445 2.652 20 0 CFADRP CC1(C)C[C@H](C[NH+]2CCC(CC[NH3+])CC2)C(C)(C)O1 ZINC000709701085 781301009 /nfs/dbraw/zinc/30/10/09/781301009.db2.gz ADSHTOYLSFVRFY-CQSZACIVSA-N 2 0 268.445 2.641 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2[nH+]ccc3c2CCN3)cc1 ZINC001242148171 781301240 /nfs/dbraw/zinc/30/12/40/781301240.db2.gz WMLMUDYMCJOKRE-UHFFFAOYSA-N 2 0 283.375 2.657 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cccc3c2C[NH2+]CC3)cc1 ZINC001242150610 781302831 /nfs/dbraw/zinc/30/28/31/781302831.db2.gz LTKOMDYHAACRCI-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709755242 781306881 /nfs/dbraw/zinc/30/68/81/781306881.db2.gz NIFCGWMZMINUHQ-BARDWOONSA-N 2 0 282.472 2.885 20 0 CFADRP CCC(CC)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)SC ZINC000709317995 781309080 /nfs/dbraw/zinc/30/90/80/781309080.db2.gz OMBWSDRSYWADJD-FUNVUKJBSA-N 2 0 256.459 2.781 20 0 CFADRP c1csc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000710539630 781316954 /nfs/dbraw/zinc/31/69/54/781316954.db2.gz OAZXVUIRWFJIRF-WIGRTHMWSA-N 2 0 291.464 2.853 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709637186 781317381 /nfs/dbraw/zinc/31/73/81/781317381.db2.gz CEVOVFHHKQTAIU-WVMKXHBISA-N 2 0 276.346 2.791 20 0 CFADRP C[C@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCCCC1 ZINC000710560766 781317965 /nfs/dbraw/zinc/31/79/65/781317965.db2.gz GSHPHRZOKUSUCL-OAHLLOKOSA-N 2 0 282.472 2.591 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000709803359 781318180 /nfs/dbraw/zinc/31/81/80/781318180.db2.gz OPGHOBRTNLYEFE-RCBQFDQVSA-N 2 0 267.376 2.546 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710504305 781333964 /nfs/dbraw/zinc/33/39/64/781333964.db2.gz YSZRCTPCMPVUSG-CYBMUJFWSA-N 2 0 267.442 2.842 20 0 CFADRP COc1cc(C[N@H+](C)CCCCCC[NH3+])cc(OC)c1 ZINC000710683766 781335593 /nfs/dbraw/zinc/33/55/93/781335593.db2.gz MGFUZYBJOVLQSK-UHFFFAOYSA-N 2 0 280.412 2.655 20 0 CFADRP FC1(F)CC=C(c2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC001242234207 781338678 /nfs/dbraw/zinc/33/86/78/781338678.db2.gz MEOQOBDPPFRHHY-UHFFFAOYSA-N 2 0 279.334 2.694 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710666222 781346349 /nfs/dbraw/zinc/34/63/49/781346349.db2.gz WILVVFVNRSTJOB-HNNXBMFYSA-N 2 0 270.461 2.591 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711170736 781394886 /nfs/dbraw/zinc/39/48/86/781394886.db2.gz VZRXIALITXSTOK-QXSJWSMHSA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+][C@@H]1CCc2c1cccc2-c1ccc2c(c1)C[NH2+]C2 ZINC001242674982 781690810 /nfs/dbraw/zinc/69/08/10/781690810.db2.gz AOXWXXZHDVEQFV-QGZVFWFLSA-N 2 0 250.345 2.903 20 0 CFADRP c1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc2c1CC[NH2+]C2 ZINC001242688706 781696843 /nfs/dbraw/zinc/69/68/43/781696843.db2.gz FKGWIAHVNXFKMH-INIZCTEOSA-N 2 0 283.419 2.759 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001242998502 781912978 /nfs/dbraw/zinc/91/29/78/781912978.db2.gz SOTJGRVPZNSYCG-GOSISDBHSA-N 2 0 282.387 2.814 20 0 CFADRP C[NH2+]Cc1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001242997773 781913246 /nfs/dbraw/zinc/91/32/46/781913246.db2.gz MPDQFFPRLMZRMU-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000594520650 349440833 /nfs/dbraw/zinc/44/08/33/349440833.db2.gz KCRYMRXATFWBBY-ZNMIVQPWSA-N 2 0 298.471 2.673 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000594625231 349465587 /nfs/dbraw/zinc/46/55/87/349465587.db2.gz SWYSXJRVFGUAIV-OAGGEKHMSA-N 2 0 296.455 2.569 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000124518180 187141655 /nfs/dbraw/zinc/14/16/55/187141655.db2.gz XDVBUYBRFNMSHR-VMUDFCTBSA-N 2 0 294.414 2.911 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337986790 282099729 /nfs/dbraw/zinc/09/97/29/282099729.db2.gz ISZZWZAUZZZASY-RDJZCZTQSA-N 2 0 299.478 2.520 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2sccc21 ZINC000423193888 290620517 /nfs/dbraw/zinc/62/05/17/290620517.db2.gz XHUBWPJQNLOXJD-DZGCQCFKSA-N 2 0 293.480 2.571 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290185323 197623826 /nfs/dbraw/zinc/62/38/26/197623826.db2.gz FOUQGXAUQPNAKG-GJZGRUSLSA-N 2 0 293.455 2.936 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CSCCF)CC1 ZINC000595012146 349549454 /nfs/dbraw/zinc/54/94/54/349549454.db2.gz ONMIKTIUHPNNIR-ZDUSSCGKSA-N 2 0 276.465 2.789 20 0 CFADRP CCSC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000595099631 349581458 /nfs/dbraw/zinc/58/14/58/349581458.db2.gz MPNDAYJAPHWMAC-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(SCC)CC2)CC1 ZINC000595098239 349581546 /nfs/dbraw/zinc/58/15/46/349581546.db2.gz FFFOGVROIZXHGC-UHFFFAOYSA-N 2 0 256.459 2.736 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000422816859 293096493 /nfs/dbraw/zinc/09/64/93/293096493.db2.gz GENCEBXPSOLGJN-FRRDWIJNSA-N 2 0 296.377 2.699 20 0 CFADRP CCC(CC)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372451867 282158820 /nfs/dbraw/zinc/15/88/20/282158820.db2.gz RMKSXJWNECDVNP-QGZVFWFLSA-N 2 0 281.488 2.523 20 0 CFADRP Cn1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000125567986 187191269 /nfs/dbraw/zinc/19/12/69/187191269.db2.gz FKJGREMCWXNIQZ-UHFFFAOYSA-N 2 0 275.371 2.516 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccnc1 ZINC000069668009 346898411 /nfs/dbraw/zinc/89/84/11/346898411.db2.gz ULRMVIKSOVOAPH-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000069666753 346897311 /nfs/dbraw/zinc/89/73/11/346897311.db2.gz YYBGUKKZGIARBW-UHFFFAOYSA-N 2 0 288.391 2.552 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1Cl ZINC000425279582 282186596 /nfs/dbraw/zinc/18/65/96/282186596.db2.gz GKFKVHFEALHUCL-WCQYABFASA-N 2 0 265.788 2.574 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000070148439 346906566 /nfs/dbraw/zinc/90/65/66/346906566.db2.gz GYMRUNSKQKSOCY-OAHLLOKOSA-N 2 0 269.392 2.938 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000070188569 346907732 /nfs/dbraw/zinc/90/77/32/346907732.db2.gz UFVPMKWMPRFNHC-UHFFFAOYSA-N 2 0 287.382 2.935 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H](C)CCC[NH3+])c[nH]c21 ZINC000422914404 529553424 /nfs/dbraw/zinc/55/34/24/529553424.db2.gz UALBIJJLSVHHBV-ZDUSSCGKSA-N 2 0 273.424 2.990 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000414858229 290655572 /nfs/dbraw/zinc/65/55/72/290655572.db2.gz IFNHIUNBZMTHEG-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)[C@@H]1CCC[NH2+]1 ZINC000422698646 529601115 /nfs/dbraw/zinc/60/11/15/529601115.db2.gz AITJRZBVSWDRHZ-KBPBESRZSA-N 2 0 286.423 2.616 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422920748 529621034 /nfs/dbraw/zinc/62/10/34/529621034.db2.gz NOKOIQXCVXQARM-FXUDXRNXSA-N 2 0 268.445 2.558 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000422867180 529655884 /nfs/dbraw/zinc/65/58/84/529655884.db2.gz RTFLGOIOJFVQHM-SMDDNHRTSA-N 2 0 252.427 2.788 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422855078 529656046 /nfs/dbraw/zinc/65/60/46/529656046.db2.gz DILFWTHNUWDYJI-HRCADAONSA-N 2 0 294.464 2.557 20 0 CFADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@H]1C[C@@H]1C ZINC000414104121 529633874 /nfs/dbraw/zinc/63/38/74/529633874.db2.gz NWEZQLHRQHPAAV-BPUTZDHNSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423497129 529660467 /nfs/dbraw/zinc/66/04/67/529660467.db2.gz YFVBVFVUFYJKPB-YUELXQCFSA-N 2 0 292.423 2.872 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000422951508 529670509 /nfs/dbraw/zinc/67/05/09/529670509.db2.gz YVGGZHGPBKTBBM-ILXRZTDVSA-N 2 0 290.407 2.626 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423509899 529672298 /nfs/dbraw/zinc/67/22/98/529672298.db2.gz OVJZBPNCXQMSLH-RCBQFDQVSA-N 2 0 290.407 2.641 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])CCO1 ZINC000423043294 282244822 /nfs/dbraw/zinc/24/48/22/282244822.db2.gz OEXKZQUNNYLHGW-SNPRPXQTSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cncc(F)c1 ZINC000126697371 187256215 /nfs/dbraw/zinc/25/62/15/187256215.db2.gz KAIWDJBVEJESRE-GVZPALNKSA-N 2 0 277.387 2.887 20 0 CFADRP C[NH+](C)Cc1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127858227 187337784 /nfs/dbraw/zinc/33/77/84/187337784.db2.gz SJKPPANGDPYZAO-DLBZAZTESA-N 2 0 273.424 2.787 20 0 CFADRP CCc1ccc([C@@H](CN[C@@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422732484 529708917 /nfs/dbraw/zinc/70/89/17/529708917.db2.gz OORKMUZSBWYTAR-BMGDILEWSA-N 2 0 289.467 2.582 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000268788432 536875767 /nfs/dbraw/zinc/87/57/67/536875767.db2.gz FUJDPAYVFAMQAV-UONOGXRCSA-N 2 0 296.480 2.973 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000072858275 346943600 /nfs/dbraw/zinc/94/36/00/346943600.db2.gz AFKIHPMCVOBULE-INIZCTEOSA-N 2 0 275.440 2.526 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000072858276 346944014 /nfs/dbraw/zinc/94/40/14/346944014.db2.gz AFKIHPMCVOBULE-MRXNPFEDSA-N 2 0 275.440 2.526 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000422906408 529734981 /nfs/dbraw/zinc/73/49/81/529734981.db2.gz VAUWKTKUAULBIJ-ZNMIVQPWSA-N 2 0 293.480 2.758 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414788821 529736083 /nfs/dbraw/zinc/73/60/83/529736083.db2.gz XJDHFZLUKSFQTC-QWHCGFSZSA-N 2 0 279.453 2.527 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423251146 529747436 /nfs/dbraw/zinc/74/74/36/529747436.db2.gz RLCYBWHHBMSWGU-RYUDHWBXSA-N 2 0 279.453 2.672 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423251145 529747847 /nfs/dbraw/zinc/74/78/47/529747847.db2.gz RLCYBWHHBMSWGU-NWDGAFQWSA-N 2 0 279.453 2.672 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127952772 187342500 /nfs/dbraw/zinc/34/25/00/187342500.db2.gz SUPIZUPWVGTIHY-QZTJIDSGSA-N 2 0 288.435 2.940 20 0 CFADRP CCc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cn1 ZINC000414333089 529756390 /nfs/dbraw/zinc/75/63/90/529756390.db2.gz SJVIQSGRWSDINQ-UHFFFAOYSA-N 2 0 298.434 2.781 20 0 CFADRP CN(C)c1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000422802826 529772858 /nfs/dbraw/zinc/77/28/58/529772858.db2.gz DZYGIBCJRDBZAF-BBRMVZONSA-N 2 0 298.434 2.518 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422721151 529791855 /nfs/dbraw/zinc/79/18/55/529791855.db2.gz USTUFIMMUKFTQL-JKSUJKDBSA-N 2 0 261.413 2.502 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000119416535 539350196 /nfs/dbraw/zinc/35/01/96/539350196.db2.gz HKOPASPZLGSBDI-ZDUSSCGKSA-N 2 0 264.388 2.954 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000119923160 539367212 /nfs/dbraw/zinc/36/72/12/539367212.db2.gz LFOKYRPSZUJNNB-UHFFFAOYSA-N 2 0 295.515 2.820 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000422803517 529891449 /nfs/dbraw/zinc/89/14/49/529891449.db2.gz JAWVMFDPPSRONO-UHFFFAOYSA-N 3 0 281.488 2.748 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000422785200 529891520 /nfs/dbraw/zinc/89/15/20/529891520.db2.gz MVQJZSAXMWCAMH-UHFFFAOYSA-N 3 0 289.467 2.616 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348089618 539381802 /nfs/dbraw/zinc/38/18/02/539381802.db2.gz UCLCIBPGSWEZCJ-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP COCC[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605538 539380889 /nfs/dbraw/zinc/38/08/89/539380889.db2.gz VZNBVQHFGOHYAY-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348103908 539386489 /nfs/dbraw/zinc/38/64/89/539386489.db2.gz MWJBSYYASWLNIM-QZTJIDSGSA-N 2 0 288.435 2.905 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414861215 529970890 /nfs/dbraw/zinc/97/08/90/529970890.db2.gz RNKPOGZOTVTGAF-UHFFFAOYSA-N 2 0 263.772 2.587 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423198668 529971275 /nfs/dbraw/zinc/97/12/75/529971275.db2.gz HCXWXZJGWWYZCD-CYBMUJFWSA-N 2 0 288.313 2.772 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000097862600 529988498 /nfs/dbraw/zinc/98/84/98/529988498.db2.gz WZQOPENKIGSOMT-INIZCTEOSA-N 2 0 283.419 2.975 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000414832199 529985161 /nfs/dbraw/zinc/98/51/61/529985161.db2.gz FBRNMPSLAWSYIE-CQSZACIVSA-N 2 0 264.413 2.667 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1C ZINC000414834766 529985168 /nfs/dbraw/zinc/98/51/68/529985168.db2.gz HQVSOFYTQLBOFS-SNVBAGLBSA-N 2 0 285.229 2.703 20 0 CFADRP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C1CC([NH3+])C1 ZINC000414780705 529995528 /nfs/dbraw/zinc/99/55/28/529995528.db2.gz UBYOORNOCSRFDO-UHFFFAOYSA-N 2 0 297.402 2.582 20 0 CFADRP C[N@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423159886 529998448 /nfs/dbraw/zinc/99/84/48/529998448.db2.gz YQEQVBICECNQEA-IRXDYDNUSA-N 2 0 287.451 2.511 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000414829089 529998626 /nfs/dbraw/zinc/99/86/26/529998626.db2.gz AMJXKKGZLQNQQF-VIFPVBQESA-N 2 0 289.192 2.533 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000414838666 529998664 /nfs/dbraw/zinc/99/86/64/529998664.db2.gz LKEWRPTWVGAACO-JTQLQIEISA-N 2 0 274.330 2.959 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1F ZINC000414832135 529998930 /nfs/dbraw/zinc/99/89/30/529998930.db2.gz DUDZJDJXRWGTMH-STQMWFEESA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423256158 529999257 /nfs/dbraw/zinc/99/92/57/529999257.db2.gz BIWXDQLCFNFREQ-USXIJHARSA-N 2 0 290.451 2.815 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423268321 529999396 /nfs/dbraw/zinc/99/93/96/529999396.db2.gz FYYLFUCPZLFLSP-QWRGUYRKSA-N 2 0 285.229 2.955 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423281419 529999435 /nfs/dbraw/zinc/99/94/35/529999435.db2.gz VKZGJFDSKIBGEJ-QWRGUYRKSA-N 2 0 272.339 2.794 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)CC(C)(C)C[NH3+] ZINC000414654257 529991287 /nfs/dbraw/zinc/99/12/87/529991287.db2.gz BQOBSWJYGMQPDW-UHFFFAOYSA-N 2 0 276.424 2.817 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420313855 530035635 /nfs/dbraw/zinc/03/56/35/530035635.db2.gz JLIKKUSXAZRGFB-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000226016057 539422534 /nfs/dbraw/zinc/42/25/34/539422534.db2.gz QUUGVYHVBFERSV-GOEBONIOSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(C)s1 ZINC000127365188 187300124 /nfs/dbraw/zinc/30/01/24/187300124.db2.gz WNPHIPCWUQQHCZ-OCCSQVGLSA-N 2 0 295.496 2.651 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000127366061 187300577 /nfs/dbraw/zinc/30/05/77/187300577.db2.gz VQWCJZQOOYOHGY-SJLPKXTDSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000129519518 539460744 /nfs/dbraw/zinc/46/07/44/539460744.db2.gz HPXOJWHWWKFRAE-HNNXBMFYSA-N 2 0 298.434 2.692 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000205099052 539470508 /nfs/dbraw/zinc/47/05/08/539470508.db2.gz IXXRRISILBJRAL-SFHVURJKSA-N 2 0 296.414 2.801 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000127455549 187307319 /nfs/dbraw/zinc/30/73/19/187307319.db2.gz FTQKUTDBQUYXTR-HLPPOEQASA-N 2 0 294.414 2.911 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000152866662 232219008 /nfs/dbraw/zinc/21/90/08/232219008.db2.gz CSIIWJKACWFGSR-STQMWFEESA-N 2 0 292.398 2.969 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCC[C@@H](C)CC1)N1CC[NH+](C)CC1 ZINC000226500773 539485950 /nfs/dbraw/zinc/48/59/50/539485950.db2.gz VAJLZKFLCDDBFB-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000070170781 539486287 /nfs/dbraw/zinc/48/62/87/539486287.db2.gz NQBZQSPIZOCPDK-ZDUSSCGKSA-N 2 0 282.428 2.979 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130158092 539499418 /nfs/dbraw/zinc/49/94/18/539499418.db2.gz KIVWWUVGGLYXMP-BFYDXBDKSA-N 2 0 256.393 2.890 20 0 CFADRP CC[N@H+](Cc1ccccn1)Cc1cccc2c1CC[NH2+]C2 ZINC000124004937 539514074 /nfs/dbraw/zinc/51/40/74/539514074.db2.gz XETZMWWQYFMRQP-UHFFFAOYSA-N 2 0 281.403 2.749 20 0 CFADRP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000352888580 290125249 /nfs/dbraw/zinc/12/52/49/290125249.db2.gz VIPHVIUHVLRGMI-IRXDYDNUSA-N 2 0 282.472 2.878 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000229937717 539521152 /nfs/dbraw/zinc/52/11/52/539521152.db2.gz RUVCFQLAMQHRMB-MRXNPFEDSA-N 2 0 273.424 2.781 20 0 CFADRP C[C@H](CCCO)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090188874 539527922 /nfs/dbraw/zinc/52/79/22/539527922.db2.gz QWEYRRYHTCGRAH-WBVHZDCISA-N 2 0 290.451 2.790 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@@H]1OC ZINC000356792602 282444676 /nfs/dbraw/zinc/44/46/76/282444676.db2.gz UROGVWAQRCDLEB-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1OC ZINC000423462806 282450060 /nfs/dbraw/zinc/45/00/60/282450060.db2.gz FDKMBBJMNALQAT-TUVASFSCSA-N 2 0 268.445 2.687 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[C@H]1OC ZINC000422942856 282455665 /nfs/dbraw/zinc/45/56/65/282455665.db2.gz QGPLHYQLPXTZGL-KBUPBQIOSA-N 2 0 268.445 2.830 20 0 CFADRP CC1(C)CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000395293763 539534245 /nfs/dbraw/zinc/53/42/45/539534245.db2.gz LWONBDYGALWWPW-UHFFFAOYSA-N 2 0 259.397 2.829 20 0 CFADRP COc1ccc(OC)c(CNC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040621930 346346779 /nfs/dbraw/zinc/34/67/79/346346779.db2.gz BEVZRZKMPOTCRC-CQSZACIVSA-N 2 0 292.423 2.524 20 0 CFADRP COc1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000040623513 346347069 /nfs/dbraw/zinc/34/70/69/346347069.db2.gz JQQAIDZPYLGFDN-CQSZACIVSA-N 2 0 280.387 2.654 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596648058 349967599 /nfs/dbraw/zinc/96/75/99/349967599.db2.gz HEIPBCXDGJEMQC-LSDHHAIUSA-N 2 0 296.455 2.750 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCC2)C1 ZINC000596648057 349967720 /nfs/dbraw/zinc/96/77/20/349967720.db2.gz HEIPBCXDGJEMQC-HUUCEWRRSA-N 2 0 296.455 2.750 20 0 CFADRP CCSC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000596649627 349968741 /nfs/dbraw/zinc/96/87/41/349968741.db2.gz DEEWQIQMIUZNBB-HIFRSBDPSA-N 2 0 278.465 2.820 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000563452661 290153453 /nfs/dbraw/zinc/15/34/53/290153453.db2.gz VXXMTJYWKRDOOT-OCCSQVGLSA-N 2 0 252.427 2.972 20 0 CFADRP COCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000088521655 539551990 /nfs/dbraw/zinc/55/19/90/539551990.db2.gz RDPCYRDDSIKCQZ-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP C[NH+]1CCN(Cc2ccc(C[NH2+]CC(C)(C)C)cc2)CC1 ZINC000066973547 346787391 /nfs/dbraw/zinc/78/73/91/346787391.db2.gz SHIJFWTUOAERGE-UHFFFAOYSA-N 2 0 289.467 2.570 20 0 CFADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423254445 282515532 /nfs/dbraw/zinc/51/55/32/282515532.db2.gz YBTWPRJSHJTYHE-XHDPSFHLSA-N 2 0 264.800 2.917 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000079492097 347306528 /nfs/dbraw/zinc/30/65/28/347306528.db2.gz GGEYQBKBDLASAJ-QGZVFWFLSA-N 2 0 294.414 2.523 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087045903 347490578 /nfs/dbraw/zinc/49/05/78/347490578.db2.gz HZHZXNFRQHVLBY-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1(C)C ZINC000085398031 347479939 /nfs/dbraw/zinc/47/99/39/347479939.db2.gz NZFLDHUXHGVMQQ-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc[nH]c2)C1 ZINC000086251042 179255526 /nfs/dbraw/zinc/25/55/26/179255526.db2.gz JYVSMIKSCKGCBC-HUUCEWRRSA-N 2 0 263.429 2.862 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC(O)CC3)CC2)C1 ZINC000090800698 347557208 /nfs/dbraw/zinc/55/72/08/347557208.db2.gz DKSDNHOWSWRKFO-LMMWMHBBSA-N 2 0 294.483 2.923 20 0 CFADRP CCCn1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000091012727 347565842 /nfs/dbraw/zinc/56/58/42/347565842.db2.gz BRYPGBOPGBSUPC-INIZCTEOSA-N 2 0 263.429 2.718 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000090545706 347551461 /nfs/dbraw/zinc/55/14/61/347551461.db2.gz UVNYRRHLJZDOAY-NRKLIOEPSA-N 2 0 282.472 2.636 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092746219 347643994 /nfs/dbraw/zinc/64/39/94/347643994.db2.gz MWNHVJAFKHTSHJ-CYBMUJFWSA-N 2 0 279.403 2.993 20 0 CFADRP CCC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401026251 282553837 /nfs/dbraw/zinc/55/38/37/282553837.db2.gz NRVRYGXTINXLAN-JXLIZBIESA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000094009776 347690012 /nfs/dbraw/zinc/69/00/12/347690012.db2.gz HTVNMHAJLLAZMU-JTQLQIEISA-N 2 0 254.324 2.615 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCCCCC2)CC1 ZINC000105442001 347728782 /nfs/dbraw/zinc/72/87/82/347728782.db2.gz RSEXBKJLSXUPHH-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP C[N@@H+]1CCC[C@H](CNCc2csc(C(C)(C)C)n2)C1 ZINC000108428313 347741077 /nfs/dbraw/zinc/74/10/77/347741077.db2.gz KBCXYBMDRMNLEA-GFCCVEGCSA-N 2 0 281.469 2.872 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000124555093 347825089 /nfs/dbraw/zinc/82/50/89/347825089.db2.gz ZRPMRNPBTRRJBH-DGCLKSJQSA-N 2 0 268.788 2.530 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOC(C)C)[C@H](C)C1 ZINC000127083702 347839298 /nfs/dbraw/zinc/83/92/98/347839298.db2.gz VQSRIJRGHGXMBI-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CO2 ZINC000090452800 539574135 /nfs/dbraw/zinc/57/41/35/539574135.db2.gz YDMSSGMEBYXCBI-CJNGLKHVSA-N 2 0 274.408 2.748 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CO2 ZINC000090452797 539574332 /nfs/dbraw/zinc/57/43/32/539574332.db2.gz YDMSSGMEBYXCBI-XJKSGUPXSA-N 2 0 274.408 2.748 20 0 CFADRP COCc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000124464141 539579476 /nfs/dbraw/zinc/57/94/76/539579476.db2.gz FMERTTJVWDHCTM-CQSZACIVSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000131768991 347880513 /nfs/dbraw/zinc/88/05/13/347880513.db2.gz KLTFXVGUDSBRAZ-STQMWFEESA-N 2 0 282.815 2.778 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000086585499 179309831 /nfs/dbraw/zinc/30/98/31/179309831.db2.gz PQUNGQMZLMXCKG-CYBMUJFWSA-N 2 0 294.826 2.923 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(C(=O)OC)CCCCC2)CC1 ZINC000133011826 347888410 /nfs/dbraw/zinc/88/84/10/347888410.db2.gz AJGMXFCNVKGRPX-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000134173513 347896120 /nfs/dbraw/zinc/89/61/20/347896120.db2.gz OOZSGOFEERPFKU-JYJNAYRXSA-N 2 0 250.430 2.910 20 0 CFADRP Cc1ccc(CC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000154813405 347982487 /nfs/dbraw/zinc/98/24/87/347982487.db2.gz AUMGRQRBZFIXCS-UHFFFAOYSA-N 2 0 260.425 2.811 20 0 CFADRP CSCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154736158 347982516 /nfs/dbraw/zinc/98/25/16/347982516.db2.gz HFYSCGRXUXLVFI-CYBMUJFWSA-N 2 0 282.453 2.641 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000223196674 348174278 /nfs/dbraw/zinc/17/42/78/348174278.db2.gz NMHKCXOMTVIBOW-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246835342 348266735 /nfs/dbraw/zinc/26/67/35/348266735.db2.gz BWEIHMVRWBIAFD-FGTMMUONSA-N 3 0 295.515 2.817 20 0 CFADRP COC[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249969789 348285366 /nfs/dbraw/zinc/28/53/66/348285366.db2.gz XMYGSJPQKUURCV-IRXDYDNUSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C[C@H]1C[NH3+] ZINC000253179223 348300058 /nfs/dbraw/zinc/30/00/58/348300058.db2.gz COHSXNCWDHOQDM-DZGCQCFKSA-N 2 0 269.392 2.652 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000312520870 348419040 /nfs/dbraw/zinc/41/90/40/348419040.db2.gz FXNAZFVRFUMZKU-INIZCTEOSA-N 2 0 294.826 2.794 20 0 CFADRP C[C@H]([NH2+]CCCOC1CCCC1)C1CC[NH+](C)CC1 ZINC000125339755 539636205 /nfs/dbraw/zinc/63/62/05/539636205.db2.gz WZHCTOWKQLQNOQ-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CCOC(=O)C1CCC([NH2+][C@H](C)CN2CCCCC2)CC1 ZINC000314261817 348425637 /nfs/dbraw/zinc/42/56/37/348425637.db2.gz WXQFKPZHTASOAY-QQFBHYJXSA-N 2 0 296.455 2.572 20 0 CFADRP CSC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000382308641 348528245 /nfs/dbraw/zinc/52/82/45/348528245.db2.gz QRCLNSGIMXFSHV-UHFFFAOYSA-N 2 0 276.449 2.660 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000396458274 348557905 /nfs/dbraw/zinc/55/79/05/348557905.db2.gz OGTGGYLCGXDCKO-QWHCGFSZSA-N 2 0 291.395 2.976 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)C1CCOCC1 ZINC000090668790 539655526 /nfs/dbraw/zinc/65/55/26/539655526.db2.gz BLKSNMVLPCDZRL-VQCLRJIVSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000584714302 348707879 /nfs/dbraw/zinc/70/78/79/348707879.db2.gz HBVWJRBWDUVTNL-DOMZBBRYSA-N 2 0 259.397 2.832 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000091661412 539665405 /nfs/dbraw/zinc/66/54/05/539665405.db2.gz YRCYAOMKSFCRLM-MRXNPFEDSA-N 2 0 273.424 2.781 20 0 CFADRP c1cnc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000589641331 348846951 /nfs/dbraw/zinc/84/69/51/348846951.db2.gz FKVVIGHYPVMROU-SJORKVTESA-N 2 0 281.403 2.951 20 0 CFADRP Cc1cc(C)cc(OCC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000590125081 348876511 /nfs/dbraw/zinc/87/65/11/348876511.db2.gz BNTKXAXQFJWBKX-UHFFFAOYSA-N 2 0 290.451 2.956 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000397239029 539690322 /nfs/dbraw/zinc/69/03/22/539690322.db2.gz KLYYCJFNYLVTGX-HLLBOEOZSA-N 2 0 276.424 2.508 20 0 CFADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591083190 348985628 /nfs/dbraw/zinc/98/56/28/348985628.db2.gz QTBIMNVDCNACJF-GDBMZVCRSA-N 2 0 298.390 2.547 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000414180330 233188931 /nfs/dbraw/zinc/18/89/31/233188931.db2.gz LWKOKBKICVXBOQ-UONOGXRCSA-N 2 0 250.386 2.971 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000414185522 233190416 /nfs/dbraw/zinc/19/04/16/233190416.db2.gz OUQPYXGWHLUMMD-RYUDHWBXSA-N 2 0 253.415 2.526 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592470732 349126246 /nfs/dbraw/zinc/12/62/46/349126246.db2.gz FWLJAVFSCIIVKT-SOUVJXGZSA-N 2 0 270.486 2.743 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000166582988 539722150 /nfs/dbraw/zinc/72/21/50/539722150.db2.gz XTTZIQRWMAKRGQ-HUUCEWRRSA-N 2 0 280.362 2.724 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)CC[NH+](C)C)C1CCCCC1 ZINC000668730069 539725964 /nfs/dbraw/zinc/72/59/64/539725964.db2.gz GTRQFFYTOVOQMW-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)nn1C ZINC000414359158 233236182 /nfs/dbraw/zinc/23/61/82/233236182.db2.gz DKYFXMKFGROPNI-UHFFFAOYSA-N 2 0 292.471 2.576 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668739900 539743952 /nfs/dbraw/zinc/74/39/52/539743952.db2.gz PQGHUTZVTAHPNH-YXJHDRRASA-N 2 0 292.467 2.510 20 0 CFADRP CC1(C)CCC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668739655 539743975 /nfs/dbraw/zinc/74/39/75/539743975.db2.gz OCSJDMIDXCDDCB-WBVHZDCISA-N 2 0 294.483 2.734 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000597247898 350072129 /nfs/dbraw/zinc/07/21/29/350072129.db2.gz HYPYDPCOSHJTHH-HUUCEWRRSA-N 2 0 268.470 2.592 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090724029 180033036 /nfs/dbraw/zinc/03/30/36/180033036.db2.gz SLEAHCYPHZDXFV-JJRVBVJISA-N 2 0 276.424 2.822 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000090720229 180030009 /nfs/dbraw/zinc/03/00/09/180030009.db2.gz YKDZKHUDPFOHPZ-SMDDNHRTSA-N 2 0 252.789 2.912 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000091333427 180136226 /nfs/dbraw/zinc/13/62/26/180136226.db2.gz ILXGJEFKIFZUHT-SJLPKXTDSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2cccn2C)CC[NH2+]1 ZINC000414674244 233322883 /nfs/dbraw/zinc/32/28/83/233322883.db2.gz DKGWYTVNVBBOLG-YCPHGPKFSA-N 2 0 261.413 2.550 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414697564 233330367 /nfs/dbraw/zinc/33/03/67/233330367.db2.gz RGHWOAWXOTVYEZ-KEYYUXOJSA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)CC[NH2+]1 ZINC000414696297 233330415 /nfs/dbraw/zinc/33/04/15/233330415.db2.gz PDWOSVBCTHUTQL-WBVHZDCISA-N 2 0 298.434 2.800 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414797386 233355273 /nfs/dbraw/zinc/35/52/73/233355273.db2.gz IOYSXLDUDOHHMA-LTIDMASMSA-N 2 0 258.409 2.897 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000414799475 233356148 /nfs/dbraw/zinc/35/61/48/233356148.db2.gz JXQKMGUOLWLLKH-ZBFHGGJFSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+]CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000414757802 233343476 /nfs/dbraw/zinc/34/34/76/233343476.db2.gz TXTARRSFWJZDJE-LLVKDONJSA-N 2 0 289.206 2.795 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000132351297 539775422 /nfs/dbraw/zinc/77/54/22/539775422.db2.gz IQZJZSLPBYZNJD-YOEHRIQHSA-N 2 0 260.425 2.721 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414777988 233347958 /nfs/dbraw/zinc/34/79/58/233347958.db2.gz ISYMPVBSFBFOSV-QZTJIDSGSA-N 2 0 287.451 2.644 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000414776405 233348353 /nfs/dbraw/zinc/34/83/53/233348353.db2.gz FBQPBSOEOBSOGU-UHFFFAOYSA-N 2 0 272.314 2.855 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414801327 233357543 /nfs/dbraw/zinc/35/75/43/233357543.db2.gz TZFIMLRNRMYYBY-YPMHNXCESA-N 2 0 270.323 2.505 20 0 CFADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414787116 233350539 /nfs/dbraw/zinc/35/05/39/233350539.db2.gz YVMFKCAXFLXACD-NVXWUHKLSA-N 2 0 258.409 2.739 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000414789832 233352545 /nfs/dbraw/zinc/35/25/45/233352545.db2.gz FVEQYIXMVNHNQW-WCQYABFASA-N 2 0 268.788 2.566 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)c1 ZINC000414792484 233353003 /nfs/dbraw/zinc/35/30/03/233353003.db2.gz IZOHGTYJTVOHPX-CABCVRRESA-N 2 0 291.439 2.593 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414794208 233353275 /nfs/dbraw/zinc/35/32/75/233353275.db2.gz FJVRBHREXUFECK-MFKMUULPSA-N 2 0 272.314 2.711 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000414807135 233359680 /nfs/dbraw/zinc/35/96/80/233359680.db2.gz QWRVHFVLLCMZQX-BHYGNILZSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@H](C[NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414850140 233377197 /nfs/dbraw/zinc/37/71/97/233377197.db2.gz YUCDIMIRBLYXAA-ZIAGYGMSSA-N 2 0 264.388 2.909 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414810635 233361397 /nfs/dbraw/zinc/36/13/97/233361397.db2.gz VKQPHQRSQFMJFC-BXUZGUMPSA-N 2 0 292.814 2.595 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414821592 233365454 /nfs/dbraw/zinc/36/54/54/233365454.db2.gz LOGFSUVYUFLYJN-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP Fc1ccc2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)sc2c1 ZINC000414826834 233368344 /nfs/dbraw/zinc/36/83/44/233368344.db2.gz GHTGNYJVTXDKHD-JTQLQIEISA-N 2 0 279.384 2.525 20 0 CFADRP C[NH+]1CCC(CC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000105454279 186057940 /nfs/dbraw/zinc/05/79/40/186057940.db2.gz KAKXBVIIFYUMEL-UHFFFAOYSA-N 2 0 286.419 2.784 20 0 CFADRP c1cc(-c2ncc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)cs1 ZINC000414835931 233372359 /nfs/dbraw/zinc/37/23/59/233372359.db2.gz SEAGODNENSCXRP-NSHDSACASA-N 2 0 293.461 2.961 20 0 CFADRP c1ccc(OCCCC[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414837472 233372683 /nfs/dbraw/zinc/37/26/83/233372683.db2.gz KDRCSAPIPOCANY-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP CCc1oc2ccccc2c1C[NH2+]C[C@@H](C)C[NH2+]C ZINC000414838608 233372911 /nfs/dbraw/zinc/37/29/11/233372911.db2.gz LILHOZXOBZJXTQ-LBPRGKRZSA-N 2 0 260.381 2.940 20 0 CFADRP c1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000414836267 233372982 /nfs/dbraw/zinc/37/29/82/233372982.db2.gz USANCIUQZGAVJB-DFNIBXOVSA-N 2 0 299.462 2.524 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414840819 233373409 /nfs/dbraw/zinc/37/34/09/233373409.db2.gz NNNTZHNKWCAVMW-DOTOQJQBSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000105480525 186059229 /nfs/dbraw/zinc/05/92/29/186059229.db2.gz BHMIRVALRCTQIT-CJNGLKHVSA-N 2 0 269.392 2.665 20 0 CFADRP c1nc(-c2ccccc2)sc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414842189 233375250 /nfs/dbraw/zinc/37/52/50/233375250.db2.gz YSDMJPTVPUMZCC-ZDUSSCGKSA-N 2 0 287.432 2.899 20 0 CFADRP c1ccc(OCCCCC[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414842739 233375315 /nfs/dbraw/zinc/37/53/15/233375315.db2.gz ZBTAFYUFBJSRSW-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414844361 233375525 /nfs/dbraw/zinc/37/55/25/233375525.db2.gz CTYUILDVDIWVDH-NVXWUHKLSA-N 2 0 260.425 2.905 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480813 186060722 /nfs/dbraw/zinc/06/07/22/186060722.db2.gz IYTDMEKCEBHGJD-YOEHRIQHSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414918844 233398839 /nfs/dbraw/zinc/39/88/39/233398839.db2.gz VLLWLYVRCKIKRK-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414878188 233386864 /nfs/dbraw/zinc/38/68/64/233386864.db2.gz OBKSFZSLAGVDLE-CQSZACIVSA-N 2 0 284.407 2.534 20 0 CFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414877953 233387084 /nfs/dbraw/zinc/38/70/84/233387084.db2.gz GQBMOPGRBCLTFW-LLVKDONJSA-N 2 0 292.814 2.661 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(Cl)c1 ZINC000414880039 233387808 /nfs/dbraw/zinc/38/78/08/233387808.db2.gz QKKKJYCOAMDORX-NWDGAFQWSA-N 2 0 297.830 2.550 20 0 CFADRP CCn1nc(C[NH2+]CC2(C)CC[NH2+]CC2)c2ccccc21 ZINC000414896009 233392118 /nfs/dbraw/zinc/39/21/18/233392118.db2.gz AMAWCBYKHKRRJX-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414898783 233392558 /nfs/dbraw/zinc/39/25/58/233392558.db2.gz BYDGMFAYRLBBSH-XJKSGUPXSA-N 2 0 264.388 2.736 20 0 CFADRP Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2ccccc2)n1 ZINC000414898211 233392791 /nfs/dbraw/zinc/39/27/91/233392791.db2.gz AYOHJONBTKANQN-SFHVURJKSA-N 2 0 298.434 2.566 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414900098 233392852 /nfs/dbraw/zinc/39/28/52/233392852.db2.gz HQWNGTRAAGRFNB-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP c1ccc(OCCCCC[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414905491 233394947 /nfs/dbraw/zinc/39/49/47/233394947.db2.gz OAWPLOBCBSCQDS-MRXNPFEDSA-N 2 0 276.424 2.967 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000414911347 233397017 /nfs/dbraw/zinc/39/70/17/233397017.db2.gz DVSMBGBGAONZRD-HZPDHXFCSA-N 2 0 274.408 2.835 20 0 CFADRP c1ccc(CSCC[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414913428 233397634 /nfs/dbraw/zinc/39/76/34/233397634.db2.gz ZUOCMABTYSEQNN-OAHLLOKOSA-N 2 0 264.438 2.652 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000414851913 233378464 /nfs/dbraw/zinc/37/84/64/233378464.db2.gz JNOPDTXVIHWEID-BZSNNMDCSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000414852440 233378515 /nfs/dbraw/zinc/37/85/15/233378515.db2.gz JZKDNPXAMCGNOY-GXTWGEPZSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414853051 233379102 /nfs/dbraw/zinc/37/91/02/233379102.db2.gz KOJSJEQIQMOJOF-QWHCGFSZSA-N 2 0 250.361 2.612 20 0 CFADRP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414856196 233380380 /nfs/dbraw/zinc/38/03/80/233380380.db2.gz OAZIJDADBGWRGV-PVAVHDDUSA-N 2 0 258.409 2.912 20 0 CFADRP CSC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC[NH+](C)CC1 ZINC000598973722 350352012 /nfs/dbraw/zinc/35/20/12/350352012.db2.gz IHTJPOOQAXDVHS-SNPRPXQTSA-N 2 0 282.497 2.838 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000598983287 350354299 /nfs/dbraw/zinc/35/42/99/350354299.db2.gz DBZCNPVCHKWYQR-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(Cl)c1 ZINC000414986983 233426729 /nfs/dbraw/zinc/42/67/29/233426729.db2.gz IEXPRTVERKRYDH-AVJIGQEQSA-N 2 0 264.800 2.946 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599071802 350370801 /nfs/dbraw/zinc/37/08/01/350370801.db2.gz TYNWJLCYNTYAJZ-CABCVRRESA-N 2 0 298.471 2.676 20 0 CFADRP C[C@H](CSCCF)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599074308 350371567 /nfs/dbraw/zinc/37/15/67/350371567.db2.gz PQLVEXHHIGDCPK-TZMCWYRMSA-N 2 0 274.449 2.684 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000415050800 233447862 /nfs/dbraw/zinc/44/78/62/233447862.db2.gz YTYYNWQVVJMVEU-JQWIXIFHSA-N 2 0 270.323 2.505 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCCOc1ccccc1 ZINC000415022915 233439854 /nfs/dbraw/zinc/43/98/54/233439854.db2.gz MBEGMYFTKQRGCD-AWEZNQCLSA-N 2 0 250.386 2.563 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)cc2s1 ZINC000415028418 233441144 /nfs/dbraw/zinc/44/11/44/233441144.db2.gz CTBCPDOUDSBJEI-DGCLKSJQSA-N 2 0 275.421 2.822 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415034189 233443075 /nfs/dbraw/zinc/44/30/75/233443075.db2.gz JPCIFZHVPACSBF-BXUZGUMPSA-N 2 0 297.240 2.975 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337406547 282693503 /nfs/dbraw/zinc/69/35/03/282693503.db2.gz UKHNFLATRZTWSZ-OAGGEKHMSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+](Cc1cccc2[nH]ccc21)C[C@H]1CCC[NH+](C)C1 ZINC000092253939 180353695 /nfs/dbraw/zinc/35/36/95/180353695.db2.gz RISYHAFCYAFSIB-AWEZNQCLSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106868341 186144511 /nfs/dbraw/zinc/14/45/11/186144511.db2.gz HJYWTNUFJAADSJ-QWHCGFSZSA-N 2 0 250.411 2.773 20 0 CFADRP C[NH+]1CCC(NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000374137033 282711043 /nfs/dbraw/zinc/71/10/43/282711043.db2.gz QMIJHNYOINBZSE-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP CO[C@@H](CC(C)C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000419199725 293487756 /nfs/dbraw/zinc/48/77/56/293487756.db2.gz DOQSITXFCXOIKI-INIZCTEOSA-N 2 0 270.461 2.711 20 0 CFADRP C[C@H]1CC[C@H](NCCSCc2ccccc2)C[NH2+]1 ZINC000600776054 350609476 /nfs/dbraw/zinc/60/94/76/350609476.db2.gz OFQXRJMHTLYSKQ-ZFWWWQNUSA-N 2 0 264.438 2.650 20 0 CFADRP COc1ccc(C[NH2+]CCC[NH+](C)C)c2ccccc12 ZINC000109459018 186254378 /nfs/dbraw/zinc/25/43/78/186254378.db2.gz HZOYXJKDROIPOD-UHFFFAOYSA-N 2 0 272.392 2.890 20 0 CFADRP CCOc1ccc(OCC[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000110649129 186310045 /nfs/dbraw/zinc/31/00/45/186310045.db2.gz ZDMVJXIFGXJSPQ-CQSZACIVSA-N 2 0 292.423 2.523 20 0 CFADRP CCOC(=O)C1(C)CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000601279473 350716406 /nfs/dbraw/zinc/71/64/06/350716406.db2.gz XEIHGZUGQMXOHW-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000111611916 186431388 /nfs/dbraw/zinc/43/13/88/186431388.db2.gz HIYBDKLNOWJHNI-CYBMUJFWSA-N 2 0 262.397 2.563 20 0 CFADRP CSCCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602951462 351071960 /nfs/dbraw/zinc/07/19/60/351071960.db2.gz OTDSPTNVKGELIC-UHFFFAOYSA-N 2 0 256.459 2.690 20 0 CFADRP COC(=O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609710586 351517901 /nfs/dbraw/zinc/51/79/01/351517901.db2.gz BDLULVMPDBKFNJ-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000611367412 351675551 /nfs/dbraw/zinc/67/55/51/351675551.db2.gz FIHCAIATFRPGOL-KGLIPLIRSA-N 2 0 284.444 2.571 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269064812 535166821 /nfs/dbraw/zinc/16/68/21/535166821.db2.gz LCORVOIOIBXBFE-OAHLLOKOSA-N 2 0 290.451 2.777 20 0 CFADRP CCCC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122048584 187012285 /nfs/dbraw/zinc/01/22/85/187012285.db2.gz HBPSNSGSYMMDLY-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP CC[C@@H](COC)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123069383 187069074 /nfs/dbraw/zinc/06/90/74/187069074.db2.gz OLQVZYJGSLUDHM-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)C[NH+](C)C ZINC000291771137 198086768 /nfs/dbraw/zinc/08/67/68/198086768.db2.gz SWRYBSISPMPDGH-ITKZLYELSA-N 2 0 268.351 2.765 20 0 CFADRP C[C@@H](C[NH2+]C/C=C/c1ccc(F)cc1)C[NH+](C)C ZINC000291770892 198087123 /nfs/dbraw/zinc/08/71/23/198087123.db2.gz SSZBLPGONITFAT-IHVVCDCBSA-N 2 0 250.361 2.626 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2cnn(C)c2)CC1 ZINC000122649444 187043766 /nfs/dbraw/zinc/04/37/66/187043766.db2.gz PLGXGWGIUNXSOJ-INIZCTEOSA-N 2 0 278.444 2.583 20 0 CFADRP Cn1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000123000204 187064972 /nfs/dbraw/zinc/06/49/72/187064972.db2.gz KLSJMNJCGZEGBA-UHFFFAOYSA-N 2 0 283.419 2.911 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCOC1 ZINC000123010664 187065522 /nfs/dbraw/zinc/06/55/22/187065522.db2.gz ZLKYKTISWSCBIW-CRAIPNDOSA-N 2 0 288.435 2.797 20 0 CFADRP COCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000124179763 187125767 /nfs/dbraw/zinc/12/57/67/187125767.db2.gz ITISCCIDDJZNMR-HNNXBMFYSA-N 2 0 276.424 2.797 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000124297682 187131348 /nfs/dbraw/zinc/13/13/48/187131348.db2.gz STFUQGKTDBCLGB-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP COc1ccc(OC)c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123838516 187110852 /nfs/dbraw/zinc/11/08/52/187110852.db2.gz QVSRSXDACJNJFD-UKRRQHHQSA-N 2 0 292.423 2.618 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132250913 187616215 /nfs/dbraw/zinc/61/62/15/187616215.db2.gz YEZVVRUMUSHKJQ-YPMHNXCESA-N 2 0 250.411 2.715 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000226345231 539858574 /nfs/dbraw/zinc/85/85/74/539858574.db2.gz LUZZMVZIBQADOW-HNNXBMFYSA-N 2 0 273.424 2.781 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292050503 198146190 /nfs/dbraw/zinc/14/61/90/198146190.db2.gz BMHGTSUWWJWSIW-QGZVFWFLSA-N 2 0 258.409 2.831 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000474867918 535184613 /nfs/dbraw/zinc/18/46/13/535184613.db2.gz JWFTXZUAGMXEHO-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292123059 198171592 /nfs/dbraw/zinc/17/15/92/198171592.db2.gz QPPXXDPQKBDLPR-HNNXBMFYSA-N 2 0 289.423 2.527 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]CCC1CC[NH+](C)CC1 ZINC000271583461 191225757 /nfs/dbraw/zinc/22/57/57/191225757.db2.gz RTZZAAWYUGTERV-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292133315 198176155 /nfs/dbraw/zinc/17/61/55/198176155.db2.gz LMACYNBSFQEJMK-SFHVURJKSA-N 2 0 272.436 2.819 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(CCOc3ccc(Cl)cc3)C2)C1 ZINC000292169406 198189401 /nfs/dbraw/zinc/18/94/01/198189401.db2.gz PLFANSHGLJEHNM-MRXNPFEDSA-N 2 0 294.826 2.746 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000292243633 539951556 /nfs/dbraw/zinc/95/15/56/539951556.db2.gz XBOCIBRYTVGQEX-ZACQAIPSSA-N 2 0 256.393 2.570 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000051694330 539953342 /nfs/dbraw/zinc/95/33/42/539953342.db2.gz UIZZWKLSUFATMZ-IYXRBSQSSA-N 2 0 262.397 2.924 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292216026 198205657 /nfs/dbraw/zinc/20/56/57/198205657.db2.gz UPEPUVPSEPNVMS-GOSISDBHSA-N 2 0 272.436 2.955 20 0 CFADRP Cc1ccoc1CN(C)CCC[NH+]1CCCCC1 ZINC000292324399 198244222 /nfs/dbraw/zinc/24/42/22/198244222.db2.gz OEHWTJOIIURICZ-UHFFFAOYSA-N 2 0 250.386 2.896 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC000153770769 188102291 /nfs/dbraw/zinc/10/22/91/188102291.db2.gz KNBVDHHUXXKBMJ-HNNXBMFYSA-N 2 0 264.413 2.614 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000153795597 188104397 /nfs/dbraw/zinc/10/43/97/188104397.db2.gz ZRGPUMPQNSUWJP-HNNXBMFYSA-N 2 0 264.413 2.614 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000154928277 188170664 /nfs/dbraw/zinc/17/06/64/188170664.db2.gz UVUUCODEQCOPDU-NVXWUHKLSA-N 2 0 289.467 2.590 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC)[C@H](C)C1 ZINC000154552911 188149622 /nfs/dbraw/zinc/14/96/22/188149622.db2.gz NXVHOMPLDQTJKG-GDBMZVCRSA-N 2 0 276.424 2.558 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000154556819 188149929 /nfs/dbraw/zinc/14/99/29/188149929.db2.gz HIQONKQDXGLHCH-FMKPAKJESA-N 2 0 276.424 2.556 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccs2)[C@H](C)C1 ZINC000155579360 188214473 /nfs/dbraw/zinc/21/44/73/188214473.db2.gz WPCOGHOJMIJEFJ-TZMCWYRMSA-N 2 0 252.427 2.611 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155810234 188228467 /nfs/dbraw/zinc/22/84/67/188228467.db2.gz RXQLUSIYAJVRIX-JKSUJKDBSA-N 2 0 283.419 2.927 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621250277 353307691 /nfs/dbraw/zinc/30/76/91/353307691.db2.gz VTQHGTRSGAPCPD-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000157221234 188303855 /nfs/dbraw/zinc/30/38/55/188303855.db2.gz PKHIKUNSGAWYKH-KBPBESRZSA-N 2 0 264.388 2.688 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000621766652 353420901 /nfs/dbraw/zinc/42/09/01/353420901.db2.gz YGBMGQNQQMAQLV-UAGQMJEPSA-N 2 0 292.398 2.797 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000621766653 353420986 /nfs/dbraw/zinc/42/09/86/353420986.db2.gz YGBMGQNQQMAQLV-USXIJHARSA-N 2 0 292.398 2.797 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000621776839 353422291 /nfs/dbraw/zinc/42/22/91/353422291.db2.gz XSACHTHFVFERIM-KBPBESRZSA-N 2 0 279.815 2.557 20 0 CFADRP Clc1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000621776805 353422439 /nfs/dbraw/zinc/42/24/39/353422439.db2.gz WSZYXSLMJONNGB-OAHLLOKOSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cnccc3c2)CC[N@@H+]1C ZINC000235695623 540002195 /nfs/dbraw/zinc/00/21/95/540002195.db2.gz JGPFWYIYDOURQD-GUYCJALGSA-N 2 0 269.392 2.807 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000623014941 353576124 /nfs/dbraw/zinc/57/61/24/353576124.db2.gz CHHAHUAOANOWRQ-UHFFFAOYSA-N 2 0 262.372 2.743 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1C ZINC000063197302 540005901 /nfs/dbraw/zinc/00/59/01/540005901.db2.gz RFVARDQOUNLVLN-QGZVFWFLSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000623357555 353623602 /nfs/dbraw/zinc/62/36/02/353623602.db2.gz VDIDEGWZMZVMCB-PMPSAXMXSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357959 353624085 /nfs/dbraw/zinc/62/40/85/353624085.db2.gz JFJBGYXDZZWHBY-DLBZAZTESA-N 3 0 295.515 2.961 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)c1ccccc1 ZINC000623357593 353624141 /nfs/dbraw/zinc/62/41/41/353624141.db2.gz XDJFMKZCFOSANG-JKSUJKDBSA-N 2 0 289.467 2.974 20 0 CFADRP C[N@@H+]1CC[C@H](NCc2ccc(F)c(F)c2)CC1(C)C ZINC000623376755 353629063 /nfs/dbraw/zinc/62/90/63/353629063.db2.gz AVXOPGWOVOISEP-LBPRGKRZSA-N 2 0 268.351 2.927 20 0 CFADRP C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000623383151 353631565 /nfs/dbraw/zinc/63/15/65/353631565.db2.gz GLFXNOUFKRHYLE-CVEARBPZSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)CC1(C)C ZINC000623415247 353638327 /nfs/dbraw/zinc/63/83/27/353638327.db2.gz FCGOQDYJEBRDIN-AWEZNQCLSA-N 2 0 282.378 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)CC1(C)C ZINC000623423798 353640822 /nfs/dbraw/zinc/64/08/22/353640822.db2.gz RWARJNPWOAOKDS-AWEZNQCLSA-N 2 0 268.445 2.534 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426784 353641676 /nfs/dbraw/zinc/64/16/76/353641676.db2.gz ZYODUVAJVVQOIJ-FZMZJTMJSA-N 2 0 279.428 2.685 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623436861 353643907 /nfs/dbraw/zinc/64/39/07/353643907.db2.gz IJZBTXQSLBPIGL-DVOMOZLQSA-N 2 0 268.445 2.652 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000623436749 353643995 /nfs/dbraw/zinc/64/39/95/353643995.db2.gz CIDKQWYRDVJVHM-QWHCGFSZSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)CC1(C)C ZINC000623438094 353644964 /nfs/dbraw/zinc/64/49/64/353644964.db2.gz LDDYNYWMUSEJIZ-CQSZACIVSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623440697 353645520 /nfs/dbraw/zinc/64/55/20/353645520.db2.gz HAMJJWGGPCGECK-ZFWWWQNUSA-N 2 0 261.413 2.648 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1(C)C ZINC000623472510 353651261 /nfs/dbraw/zinc/65/12/61/353651261.db2.gz RDIKJLCBSZUTAC-JJXSEGSLSA-N 2 0 292.467 2.797 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623481392 353653852 /nfs/dbraw/zinc/65/38/52/353653852.db2.gz ADOXHPCUHJGKCC-NPCAHTBFSA-N 2 0 268.445 2.533 20 0 CFADRP COc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623336198 353616709 /nfs/dbraw/zinc/61/67/09/353616709.db2.gz BLICIFNZDAILPH-AWEZNQCLSA-N 2 0 292.423 2.666 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623346978 353620349 /nfs/dbraw/zinc/62/03/49/353620349.db2.gz KEQHLXLYXSQFLL-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP C[NH+](C)CC1(C[NH2+]Cc2cccc3n[nH]cc32)CCCC1 ZINC000623492257 353656829 /nfs/dbraw/zinc/65/68/29/353656829.db2.gz RHGAQLGXOHBHSO-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)CC1(C)C ZINC000623513513 353661239 /nfs/dbraw/zinc/66/12/39/353661239.db2.gz CDMCHRZPDJEHAC-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623525196 353663420 /nfs/dbraw/zinc/66/34/20/353663420.db2.gz AYSKAQADCNEIDG-AWEZNQCLSA-N 2 0 270.461 2.902 20 0 CFADRP CCCc1nc(C)c(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623531331 353665241 /nfs/dbraw/zinc/66/52/41/353665241.db2.gz UNDIGEFBSNWNDM-CYBMUJFWSA-N 2 0 279.428 2.898 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623536475 353666489 /nfs/dbraw/zinc/66/64/89/353666489.db2.gz WTIHAQGOODCBTF-IRXDYDNUSA-N 2 0 290.451 2.707 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](CO)C(C)C ZINC000623539570 353667135 /nfs/dbraw/zinc/66/71/35/353667135.db2.gz UPJQOJPUHWPWRP-OWCLPIDISA-N 2 0 284.488 2.738 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623561156 353671903 /nfs/dbraw/zinc/67/19/03/353671903.db2.gz CYLQEBBBKJZREZ-UONOGXRCSA-N 2 0 270.461 2.900 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623561155 353672171 /nfs/dbraw/zinc/67/21/71/353672171.db2.gz CYLQEBBBKJZREZ-KGLIPLIRSA-N 2 0 270.461 2.900 20 0 CFADRP CCc1nc(CNC[C@@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655702 353696991 /nfs/dbraw/zinc/69/69/91/353696991.db2.gz CDCANQAYGGDRGN-LBPRGKRZSA-N 2 0 267.442 2.527 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cc(F)c(F)cc2F)C1 ZINC000623656732 353697199 /nfs/dbraw/zinc/69/71/99/353697199.db2.gz ANPNZFSJPSTXOT-LLVKDONJSA-N 2 0 286.341 2.925 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623655610 353697411 /nfs/dbraw/zinc/69/74/11/353697411.db2.gz ABNNBJQHQXWGFL-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000623657525 353698646 /nfs/dbraw/zinc/69/86/46/353698646.db2.gz SUWPSCZEPKODJK-HOTGVXAUSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000623989900 353777289 /nfs/dbraw/zinc/77/72/89/353777289.db2.gz LWCCZFLLNHSDBH-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000624007547 353782461 /nfs/dbraw/zinc/78/24/61/353782461.db2.gz YROIGVABDISVHB-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000624100733 353805681 /nfs/dbraw/zinc/80/56/81/353805681.db2.gz ALDUWTCEWZQLGL-CGTJXYLNSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000624120117 353810361 /nfs/dbraw/zinc/81/03/61/353810361.db2.gz RPJOEAQCWRTQHA-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624124019 353812671 /nfs/dbraw/zinc/81/26/71/353812671.db2.gz VQQAHFTYWGRUQX-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCC1 ZINC000624123416 353813259 /nfs/dbraw/zinc/81/32/59/353813259.db2.gz LQKNVOISQYRYBS-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624124022 353813274 /nfs/dbraw/zinc/81/32/74/353813274.db2.gz VQQAHFTYWGRUQX-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)OCC ZINC000624048183 353792827 /nfs/dbraw/zinc/79/28/27/353792827.db2.gz FEPDPJCMVZOVQZ-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC23CC3)[C@H](C)C1 ZINC000624313360 353860446 /nfs/dbraw/zinc/86/04/46/353860446.db2.gz KZYSSMNUJVJKST-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP CCO[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC000625215080 353997370 /nfs/dbraw/zinc/99/73/70/353997370.db2.gz ZQYLUEOGZRJSSW-CWRNSKLLSA-N 2 0 268.445 2.606 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C2CC2)[C@@H](C)C1 ZINC000675779598 540014462 /nfs/dbraw/zinc/01/44/62/540014462.db2.gz XXZCCFVARXIOES-ZOBUZTSGSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H](CC[N@@H+]1CCc2nc[nH]c2C1)OCc1ccccc1 ZINC000625437673 354046222 /nfs/dbraw/zinc/04/62/22/354046222.db2.gz SRIYYLXQVILGNQ-AWEZNQCLSA-N 2 0 285.391 2.763 20 0 CFADRP CC1(C)CCC[C@](CO)([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000625837489 354124172 /nfs/dbraw/zinc/12/41/72/354124172.db2.gz RVYKHDKOJFOYLE-KRWDZBQOSA-N 2 0 282.472 2.783 20 0 CFADRP CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ncccn1 ZINC000626062763 354183563 /nfs/dbraw/zinc/18/35/63/354183563.db2.gz FRAPLYKEVMAUGI-UHFFFAOYSA-N 2 0 284.407 2.560 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)C(C)(C)C ZINC000626063688 354184397 /nfs/dbraw/zinc/18/43/97/354184397.db2.gz MMSOTHUCCDLRQI-QGZVFWFLSA-N 2 0 292.467 2.977 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423257152 283006063 /nfs/dbraw/zinc/00/60/63/283006063.db2.gz HUJLERBMCKYYGJ-BLLLJJGKSA-N 2 0 262.372 2.792 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000149570861 283019816 /nfs/dbraw/zinc/01/98/16/283019816.db2.gz VEXKQCRUVZUWLK-SJCJKPOMSA-N 2 0 274.383 2.887 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CCCS1 ZINC000628163987 354455117 /nfs/dbraw/zinc/45/51/17/354455117.db2.gz ZYVUBSLSVSBNOS-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000628186115 354467253 /nfs/dbraw/zinc/46/72/53/354467253.db2.gz XWSCJKCPKGGBQS-HUUCEWRRSA-N 2 0 270.486 2.936 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000628201976 354473970 /nfs/dbraw/zinc/47/39/70/354473970.db2.gz CLPWSTCMFIJXDT-MSOLQXFVSA-N 2 0 295.515 2.820 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628214370 354480779 /nfs/dbraw/zinc/48/07/79/354480779.db2.gz UOCOVFXLEIPRRJ-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000628322676 354545662 /nfs/dbraw/zinc/54/56/62/354545662.db2.gz IMAXFGKFHQHLHW-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP Cc1ccc([C@@H](C)C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000628231970 354490713 /nfs/dbraw/zinc/49/07/13/354490713.db2.gz IAWRHCTUPJDXOI-HNNXBMFYSA-N 2 0 258.409 2.950 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000628232838 354491736 /nfs/dbraw/zinc/49/17/36/354491736.db2.gz PZDCXTJODQLOIF-ZWKOTPCHSA-N 2 0 295.515 2.820 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000628233883 354492185 /nfs/dbraw/zinc/49/21/85/354492185.db2.gz ZTOHWZOHIQKMKB-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@]2(C)CCCS2)CC1 ZINC000628252113 354503721 /nfs/dbraw/zinc/50/37/21/354503721.db2.gz IHJLPJPSMVTDIU-KGLIPLIRSA-N 2 0 256.459 2.688 20 0 CFADRP c1nc(C2CC2)oc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000628253708 354505149 /nfs/dbraw/zinc/50/51/49/354505149.db2.gz SXYZAEQSKJSIFO-UHFFFAOYSA-N 2 0 275.396 2.516 20 0 CFADRP COCC1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000628353329 354562611 /nfs/dbraw/zinc/56/26/11/354562611.db2.gz QZJOINBYOIOTOJ-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP C/C=C\C[C@H]1CCC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628494832 354609307 /nfs/dbraw/zinc/60/93/07/354609307.db2.gz AKEIVSGSOMVPKO-GXMNPTEKSA-N 2 0 276.428 2.664 20 0 CFADRP Cc1cc2cc(C[NH2+]CCOCCC[NH3+])oc2cc1C ZINC000629400330 354802999 /nfs/dbraw/zinc/80/29/99/354802999.db2.gz UGYXPBAYTVEZME-UHFFFAOYSA-N 2 0 276.380 2.505 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000629399643 354803352 /nfs/dbraw/zinc/80/33/52/354803352.db2.gz JFZLQEFUQABCJD-HOTGVXAUSA-N 2 0 296.842 2.931 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000629402747 354804278 /nfs/dbraw/zinc/80/42/78/354804278.db2.gz DWABBGOJPANBLN-GJZGRUSLSA-N 2 0 270.461 2.807 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000629408368 354805110 /nfs/dbraw/zinc/80/51/10/354805110.db2.gz UIELOWMHAILSEZ-SVGFKBNWSA-N 2 0 258.409 2.738 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C)c1 ZINC000629518687 354826879 /nfs/dbraw/zinc/82/68/79/354826879.db2.gz BHFPQZHNKUXOPQ-HNNXBMFYSA-N 2 0 262.397 2.544 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520054 354827832 /nfs/dbraw/zinc/82/78/32/354827832.db2.gz JZLNJECERBUACS-IRXDYDNUSA-N 2 0 288.435 2.594 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000629522712 354828839 /nfs/dbraw/zinc/82/88/39/354828839.db2.gz HBCOUJLAIDHGIL-YIONKMFJSA-N 2 0 273.424 2.540 20 0 CFADRP Cc1cc([C@H]([NH2+]CC2([NH3+])CCOCC2)C2CC2)ccc1F ZINC000629524821 354829465 /nfs/dbraw/zinc/82/94/65/354829465.db2.gz QEIHTQFJWGTVDI-MRXNPFEDSA-N 2 0 292.398 2.683 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C)cc1 ZINC000629524166 354830067 /nfs/dbraw/zinc/83/00/67/354830067.db2.gz MQLRCVDJMRVVEO-HNNXBMFYSA-N 2 0 262.397 2.544 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CCCc1cccnc1 ZINC000629528436 354831851 /nfs/dbraw/zinc/83/18/51/354831851.db2.gz ZHAQOFKXMGHDLE-VNQPRFMTSA-N 2 0 261.413 2.523 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000629527790 354832040 /nfs/dbraw/zinc/83/20/40/354832040.db2.gz GAOKYFAXVYZABM-BSWAZPDLSA-N 2 0 273.424 2.838 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(Cl)s1 ZINC000629529244 354832568 /nfs/dbraw/zinc/83/25/68/354832568.db2.gz WIMSTQOQBPWZOS-SNVBAGLBSA-N 2 0 276.833 2.678 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000629529778 354832616 /nfs/dbraw/zinc/83/26/16/354832616.db2.gz MROUEIYSLGEZNL-HNNXBMFYSA-N 2 0 282.815 2.543 20 0 CFADRP COCc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000629648020 354875684 /nfs/dbraw/zinc/87/56/84/354875684.db2.gz FDCVEHZJTKCEOX-QGZVFWFLSA-N 2 0 288.391 2.996 20 0 CFADRP CC[C@@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@H]1[NH3+] ZINC000629651877 354877473 /nfs/dbraw/zinc/87/74/73/354877473.db2.gz NAIBVIVDJBAFEO-GDBMZVCRSA-N 2 0 272.392 2.522 20 0 CFADRP CCC[C@H](C)CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533426 354835107 /nfs/dbraw/zinc/83/51/07/354835107.db2.gz ZOYBDOCJMUWQMS-HOTGVXAUSA-N 2 0 282.472 2.890 20 0 CFADRP CCC[C@H]([NH2+]CCOCCC[NH3+])c1ccsc1 ZINC000629536344 354835840 /nfs/dbraw/zinc/83/58/40/354835840.db2.gz GHQIHPJSLTXTJZ-ZDUSSCGKSA-N 2 0 256.415 2.544 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629535810 354835937 /nfs/dbraw/zinc/83/59/37/354835937.db2.gz FJGGTYIUCBTZLQ-CZUORRHYSA-N 2 0 262.397 2.580 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCOCCC[NH3+])c1cccs1 ZINC000629534966 354836050 /nfs/dbraw/zinc/83/60/50/354836050.db2.gz CDEARFHHDNSKHR-CYBMUJFWSA-N 2 0 270.442 2.790 20 0 CFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CCOCCC[NH3+])CCS2 ZINC000629538846 354837472 /nfs/dbraw/zinc/83/74/72/354837472.db2.gz OBQPXXOGCRGOSI-HNNXBMFYSA-N 2 0 294.464 2.795 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539433 354837558 /nfs/dbraw/zinc/83/75/58/354837558.db2.gz RFPKVDKADOWMBY-GJZGRUSLSA-N 2 0 256.434 2.546 20 0 CFADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629539605 354837609 /nfs/dbraw/zinc/83/76/09/354837609.db2.gz NHOZEWAXAOZAGI-CYBMUJFWSA-N 2 0 276.380 2.757 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000629539842 354838614 /nfs/dbraw/zinc/83/86/14/354838614.db2.gz ROVNBCJYWCHAJT-AWEZNQCLSA-N 2 0 298.814 2.509 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000629540498 354838657 /nfs/dbraw/zinc/83/86/57/354838657.db2.gz VEFKICHCVWFLCT-HNNXBMFYSA-N 2 0 282.453 2.934 20 0 CFADRP CC(C)Cc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541606 354839439 /nfs/dbraw/zinc/83/94/39/354839439.db2.gz RYYCEYACHZJASZ-OAHLLOKOSA-N 2 0 278.440 2.901 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2c(c1)CCCC2 ZINC000629542520 354840506 /nfs/dbraw/zinc/84/05/06/354840506.db2.gz ZTEOSGQLLQPQAO-CQSZACIVSA-N 2 0 276.424 2.581 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000629543561 354840577 /nfs/dbraw/zinc/84/05/77/354840577.db2.gz CNWXISIKYJGRJA-GPFWEFOESA-N 2 0 299.462 2.522 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12)C1C[NH2+]C1 ZINC000629548393 354843964 /nfs/dbraw/zinc/84/39/64/354843964.db2.gz ZKNWXLPWSNRWEG-VIFPVBQESA-N 2 0 295.789 2.700 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)c1 ZINC000629547908 354844005 /nfs/dbraw/zinc/84/40/05/354844005.db2.gz LUZUSKZRUNJMNT-IAOVAPTHSA-N 2 0 258.409 2.656 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000629654453 354878437 /nfs/dbraw/zinc/87/84/37/354878437.db2.gz RBNPRDFSJVMGRI-ROUUACIJSA-N 2 0 290.451 2.665 20 0 CFADRP Cc1nc(C(C)C)ccc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000629552559 354845697 /nfs/dbraw/zinc/84/56/97/354845697.db2.gz MJIONHKHHYCWMP-NVXWUHKLSA-N 2 0 273.424 2.827 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NCc1ccccc1CC(F)(F)F ZINC000629555200 354845801 /nfs/dbraw/zinc/84/58/01/354845801.db2.gz RSDIYMNYGDHCGP-STQMWFEESA-N 2 0 272.314 2.761 20 0 CFADRP C[C@@H](N[C@@H]1CC[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000629553209 354845869 /nfs/dbraw/zinc/84/58/69/354845869.db2.gz AOGNABLHXDYHDP-QJPTWQEYSA-N 2 0 275.421 2.740 20 0 CFADRP CCCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563596 354847701 /nfs/dbraw/zinc/84/77/01/354847701.db2.gz GWPLYBOZTDSJAH-GHMZBOCLSA-N 2 0 252.324 2.636 20 0 CFADRP Cc1cccc([C@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C(C)C)c1 ZINC000629574955 354849371 /nfs/dbraw/zinc/84/93/71/354849371.db2.gz GUQMHXFYXXMOOI-IAGOWNOFSA-N 2 0 288.435 2.803 20 0 CFADRP Cc1cc(C)c([C@@H](C)[N@H+](C)CCOCC[NH3+])c(C)c1 ZINC000629578712 354850178 /nfs/dbraw/zinc/85/01/78/354850178.db2.gz LYARBMROJTZJTL-OAHLLOKOSA-N 2 0 264.413 2.580 20 0 CFADRP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629577840 354850311 /nfs/dbraw/zinc/85/03/11/354850311.db2.gz DFUJRYVKEOFIET-AWEZNQCLSA-N 2 0 270.804 2.698 20 0 CFADRP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC[NH3+] ZINC000629582221 354850679 /nfs/dbraw/zinc/85/06/79/354850679.db2.gz PJCCLKGBJYFEII-DGCLKSJQSA-N 2 0 297.240 2.976 20 0 CFADRP CCN(CC[NH3+])Cc1cccc(OC2CCCC2)c1 ZINC000629656012 354879269 /nfs/dbraw/zinc/87/92/69/354879269.db2.gz ZHYMUSKWTZQNSY-UHFFFAOYSA-N 2 0 262.397 2.789 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1F ZINC000629737372 354916791 /nfs/dbraw/zinc/91/67/91/354916791.db2.gz GRWJEDFJCMBIDZ-QMMMGPOBSA-N 2 0 277.368 2.615 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1F ZINC000629673087 354886145 /nfs/dbraw/zinc/88/61/45/354886145.db2.gz VZEPDPVMYBQZKA-PBHICJAKSA-N 2 0 292.398 2.623 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccoc3)c2)CC1 ZINC000629714613 354907786 /nfs/dbraw/zinc/90/77/86/354907786.db2.gz JVLBPOGSBVIAKM-UHFFFAOYSA-N 2 0 256.349 2.870 20 0 CFADRP Nc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cc1 ZINC000629730478 354911512 /nfs/dbraw/zinc/91/15/12/354911512.db2.gz JSCOKLZPUMLBLT-UHFFFAOYSA-N 2 0 281.403 2.859 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000629661260 354881945 /nfs/dbraw/zinc/88/19/45/354881945.db2.gz BOSLRNFRUZDHGD-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP C[C@@H](c1cccc(Br)c1)[N@H+](C)CCC[NH3+] ZINC000227744799 540054192 /nfs/dbraw/zinc/05/41/92/540054192.db2.gz YKJKCSMNSXOGAB-JTQLQIEISA-N 2 0 271.202 2.791 20 0 CFADRP COCC[C@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297829205 540087500 /nfs/dbraw/zinc/08/75/00/540087500.db2.gz ZOAOCRXIBBKDHV-HNNXBMFYSA-N 2 0 299.418 2.782 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000178261153 540088362 /nfs/dbraw/zinc/08/83/62/540088362.db2.gz YJVOFKHQAUTEJQ-YVEFUNNKSA-N 2 0 295.386 2.532 20 0 CFADRP CCC[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000271832692 191355838 /nfs/dbraw/zinc/35/58/38/191355838.db2.gz PAPSLMSNSVMQGT-QGZVFWFLSA-N 2 0 290.451 2.617 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271836028 191357631 /nfs/dbraw/zinc/35/76/31/191357631.db2.gz PTGPAKFZGDHHDR-UHFFFAOYSA-N 2 0 274.408 2.825 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414926180 540128735 /nfs/dbraw/zinc/12/87/35/540128735.db2.gz MVLZCQOWFKSHTD-OLZOCXBDSA-N 2 0 250.411 2.768 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1N(C)C ZINC000271883250 191388194 /nfs/dbraw/zinc/38/81/94/191388194.db2.gz PUGDTLBUKCWVDC-CYBMUJFWSA-N 2 0 291.414 2.804 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000271901785 191398476 /nfs/dbraw/zinc/39/84/76/191398476.db2.gz VUPIAGCOZJGKOF-NSHDSACASA-N 2 0 266.335 2.877 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCOCC1 ZINC000631195758 355343146 /nfs/dbraw/zinc/34/31/46/355343146.db2.gz JIORZVHPWUAILU-RDJZCZTQSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@H]1OCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196016 355343431 /nfs/dbraw/zinc/34/34/31/355343431.db2.gz MTFSVZVTNWPTJW-XYVMCAHJSA-N 2 0 288.435 2.522 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(OC)ccc32)C1 ZINC000631568677 355491132 /nfs/dbraw/zinc/49/11/32/355491132.db2.gz CLXSPZGFAUKBJM-GUYCJALGSA-N 2 0 274.408 2.614 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631570666 355493069 /nfs/dbraw/zinc/49/30/69/355493069.db2.gz WRKDTCGUYYAOJK-MSOLQXFVSA-N 2 0 292.467 2.798 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)CC[NH+](C)C ZINC000631575500 355495910 /nfs/dbraw/zinc/49/59/10/355495910.db2.gz GKRYVFBHRVKXGF-MLGOLLRUSA-N 2 0 262.397 2.612 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)CC[NH+](C)C ZINC000631575499 355495940 /nfs/dbraw/zinc/49/59/40/355495940.db2.gz GKRYVFBHRVKXGF-LRDDRELGSA-N 2 0 262.397 2.612 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631578505 355497592 /nfs/dbraw/zinc/49/75/92/355497592.db2.gz UXULNLLRSLOKOF-KRWDZBQOSA-N 2 0 273.424 2.781 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000631653579 355534078 /nfs/dbraw/zinc/53/40/78/355534078.db2.gz WBBWPKZQNNCIAW-SVGFKBNWSA-N 2 0 258.409 2.862 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000631654091 355535102 /nfs/dbraw/zinc/53/51/02/355535102.db2.gz UDBJMXOVRPFRSM-QGTPRVQTSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000631667867 355540122 /nfs/dbraw/zinc/54/01/22/355540122.db2.gz SRHGUZSQRVRMMX-HYVNUMGLSA-N 2 0 290.476 2.850 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631638006 355526401 /nfs/dbraw/zinc/52/64/01/355526401.db2.gz UTFNAORVBSGQSE-PBHICJAKSA-N 2 0 273.424 2.781 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc2c1CCOC2 ZINC000631821804 355595216 /nfs/dbraw/zinc/59/52/16/355595216.db2.gz JRQMZLDYPKPVRS-KRWDZBQOSA-N 2 0 276.424 2.565 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)n1 ZINC000631823623 355595229 /nfs/dbraw/zinc/59/52/29/355595229.db2.gz JRYSKXNUJADFML-XIRDDKMYSA-N 2 0 273.424 2.566 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000631827799 355597394 /nfs/dbraw/zinc/59/73/94/355597394.db2.gz WWAADJVMYGZDMJ-SJORKVTESA-N 2 0 287.451 2.828 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)n1 ZINC000631828971 355597437 /nfs/dbraw/zinc/59/74/37/355597437.db2.gz CVGSYPTXXKLHNC-SJCJKPOMSA-N 2 0 275.440 2.956 20 0 CFADRP c1csc(CC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000631837563 355601678 /nfs/dbraw/zinc/60/16/78/355601678.db2.gz UOSJNOBUDQXNDR-OAHLLOKOSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CN1CCc1ccc2ccccc2c1 ZINC000631859495 355606603 /nfs/dbraw/zinc/60/66/03/355606603.db2.gz BBWKCPCYJJYSGF-CXAGYDPISA-N 2 0 254.377 2.804 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889598 355616327 /nfs/dbraw/zinc/61/63/27/355616327.db2.gz IAKPSDPYTDGJQE-IRXDYDNUSA-N 2 0 288.435 2.702 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890388 355616552 /nfs/dbraw/zinc/61/65/52/355616552.db2.gz PFESRDUEININJB-UKRRQHHQSA-N 2 0 276.449 2.982 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000229366783 540180139 /nfs/dbraw/zinc/18/01/39/540180139.db2.gz ZKFFCFJTVRVVPL-IKGGRYGDSA-N 2 0 292.467 2.942 20 0 CFADRP Fc1ccc(SCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890675 355617099 /nfs/dbraw/zinc/61/70/99/355617099.db2.gz RSHIKDMVEQBDGX-CJNGLKHVSA-N 2 0 294.439 2.992 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000666207921 540193248 /nfs/dbraw/zinc/19/32/48/540193248.db2.gz HWTTYQFPTNUMPM-ZENOOKHLSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000348706767 283132628 /nfs/dbraw/zinc/13/26/28/283132628.db2.gz UVUMBNVZNKLSQK-HWIRSSMVSA-N 2 0 276.346 2.790 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000334846814 540253512 /nfs/dbraw/zinc/25/35/12/540253512.db2.gz QSHIQQLUSVXGDP-CABCVRRESA-N 2 0 273.355 2.733 20 0 CFADRP COC(=O)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000347961705 291112529 /nfs/dbraw/zinc/11/25/29/291112529.db2.gz NSEDRUSTOMDNAY-HZPDHXFCSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000582414372 325202912 /nfs/dbraw/zinc/20/29/12/325202912.db2.gz CILFUYFNXHKFAK-QWRGUYRKSA-N 2 0 252.427 2.842 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H](OCC)C1(C)C ZINC000346982262 283280269 /nfs/dbraw/zinc/28/02/69/283280269.db2.gz NSZSXRUIIVBGCD-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339071653 540281960 /nfs/dbraw/zinc/28/19/60/540281960.db2.gz STPIEGDZFIURRX-FGTMMUONSA-N 2 0 293.499 2.857 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339070594 540283810 /nfs/dbraw/zinc/28/38/10/540283810.db2.gz NEVNTVFARUNFKR-LNLFQRSKSA-N 2 0 299.462 2.872 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000339071379 540283851 /nfs/dbraw/zinc/28/38/51/540283851.db2.gz PYHYKQFZBUSERU-GJZGRUSLSA-N 2 0 293.480 2.991 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C1(C)C ZINC000233782052 540301238 /nfs/dbraw/zinc/30/12/38/540301238.db2.gz LKISTORWUGGOPH-JKSUJKDBSA-N 2 0 274.408 2.583 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000059716581 540368803 /nfs/dbraw/zinc/36/88/03/540368803.db2.gz YYQCYHUSKGQJLF-CYBMUJFWSA-N 2 0 252.789 2.771 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147516268 540391065 /nfs/dbraw/zinc/39/10/65/540391065.db2.gz CUHSKDGPAAXFAK-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000294704619 199143564 /nfs/dbraw/zinc/14/35/64/199143564.db2.gz BBSMYVHOMCMIQS-GRDNDAEWSA-N 2 0 276.424 2.794 20 0 CFADRP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000294854852 199215756 /nfs/dbraw/zinc/21/57/56/199215756.db2.gz PDHUHGILHOSTNA-GJZGRUSLSA-N 2 0 264.438 2.973 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccncc1C ZINC000294925442 199252786 /nfs/dbraw/zinc/25/27/86/199252786.db2.gz BSXIHTRNKWYQTL-OAHLLOKOSA-N 2 0 263.429 2.990 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1F ZINC000420408573 236639910 /nfs/dbraw/zinc/63/99/10/236639910.db2.gz PONIDNSSMFLKDY-CHWSQXEVSA-N 2 0 250.361 2.784 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000093453239 540429089 /nfs/dbraw/zinc/42/90/89/540429089.db2.gz GFIKOUJJRJXKCK-MJBXVCDLSA-N 2 0 279.453 2.504 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678421691 540430890 /nfs/dbraw/zinc/43/08/90/540430890.db2.gz HYCDRSZBIBKWNC-UKRRQHHQSA-N 2 0 261.413 2.691 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCOC1 ZINC000246868135 299288823 /nfs/dbraw/zinc/28/88/23/299288823.db2.gz DHOZCYALLUDNBM-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000309069808 283431309 /nfs/dbraw/zinc/43/13/09/283431309.db2.gz BJPPLJYTVOHUQX-VIFPVBQESA-N 2 0 289.242 2.826 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccnc1 ZINC000092741998 299289821 /nfs/dbraw/zinc/28/98/21/299289821.db2.gz YVZQFTNESJACAX-OAGGEKHMSA-N 2 0 291.439 2.622 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000179386123 299289903 /nfs/dbraw/zinc/28/99/03/299289903.db2.gz OWDKBCVOYZXDFY-XHSDSOJGSA-N 2 0 291.439 2.622 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000179386130 299290970 /nfs/dbraw/zinc/29/09/70/299290970.db2.gz OWDKBCVOYZXDFY-JYJNAYRXSA-N 2 0 291.439 2.622 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000152438542 540475033 /nfs/dbraw/zinc/47/50/33/540475033.db2.gz KCCICZJDUQVYSY-SJCJKPOMSA-N 2 0 274.383 2.887 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422561991 237105701 /nfs/dbraw/zinc/10/57/01/237105701.db2.gz OTTZBYDCPVILGT-NFAWXSAZSA-N 2 0 278.444 2.578 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694469 237117355 /nfs/dbraw/zinc/11/73/55/237117355.db2.gz OEBPVSOHGVUHNJ-NHYWBVRUSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422730088 237143712 /nfs/dbraw/zinc/14/37/12/237143712.db2.gz CYHMGQMYLXBUGU-DNOWBOINSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422730850 237144315 /nfs/dbraw/zinc/14/43/15/237144315.db2.gz KNIYVPFTNFHYLN-ZWKOTPCHSA-N 2 0 298.434 2.681 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422737151 237152304 /nfs/dbraw/zinc/15/23/04/237152304.db2.gz HQGMUBUTVUXSDY-HNNXBMFYSA-N 2 0 264.413 2.871 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000422741936 237154993 /nfs/dbraw/zinc/15/49/93/237154993.db2.gz FRYCSMNFAJHUPY-OFLPRAFFSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422706434 237125101 /nfs/dbraw/zinc/12/51/01/237125101.db2.gz DZKQFZHIRGPQFE-XOKHGSTOSA-N 2 0 293.430 2.549 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422714352 237133309 /nfs/dbraw/zinc/13/33/09/237133309.db2.gz QYHVGUIDMKBABV-DJIMGWMZSA-N 2 0 290.451 2.615 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422717562 237133723 /nfs/dbraw/zinc/13/37/23/237133723.db2.gz WDKFGPAUDLDPOF-DJIMGWMZSA-N 2 0 293.430 2.536 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422718969 237133869 /nfs/dbraw/zinc/13/38/69/237133869.db2.gz QLFNWRYTYQJZQR-IRXDYDNUSA-N 3 0 281.488 2.892 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422718745 237136398 /nfs/dbraw/zinc/13/63/98/237136398.db2.gz PYEFHZXLEXKCKS-GJZGRUSLSA-N 2 0 282.815 2.968 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000422720144 237136578 /nfs/dbraw/zinc/13/65/78/237136578.db2.gz ZVAXETMMXHSULS-HRCADAONSA-N 2 0 270.461 2.935 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OCC ZINC000422767696 237181718 /nfs/dbraw/zinc/18/17/18/237181718.db2.gz YTNRIANICNNUQA-QWHCGFSZSA-N 2 0 292.423 2.743 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422774791 237192063 /nfs/dbraw/zinc/19/20/63/237192063.db2.gz YMFJKFJMGJTIEZ-DZGCQCFKSA-N 2 0 264.438 2.804 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422765752 237183533 /nfs/dbraw/zinc/18/35/33/237183533.db2.gz LBNUOPKNHUKCSB-XJKSGUPXSA-N 2 0 276.399 2.835 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422770561 237186618 /nfs/dbraw/zinc/18/66/18/237186618.db2.gz QIYPBILCARZUEM-ZDUSSCGKSA-N 2 0 264.388 2.964 20 0 CFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC000296912388 200032025 /nfs/dbraw/zinc/03/20/25/200032025.db2.gz RKKTTZTURFDFRC-ZDUSSCGKSA-N 2 0 282.453 2.647 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774917 237190962 /nfs/dbraw/zinc/19/09/62/237190962.db2.gz YXYHHFKRKPGOJJ-KBPBESRZSA-N 2 0 264.800 2.841 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422748096 237161707 /nfs/dbraw/zinc/16/17/07/237161707.db2.gz RYMZXTFEXMNELJ-FHLIZLRMSA-N 2 0 287.451 2.681 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422752926 237164464 /nfs/dbraw/zinc/16/44/64/237164464.db2.gz BMKKQLRRKNXBOO-NXEZZACHSA-N 2 0 258.312 2.503 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422752024 237165239 /nfs/dbraw/zinc/16/52/39/237165239.db2.gz CHUGOIWKYOCQHK-NWDGAFQWSA-N 2 0 252.377 2.819 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])COCc1ccccc1 ZINC000422760465 237174379 /nfs/dbraw/zinc/17/43/79/237174379.db2.gz LUJUDQPDHJNXQO-ILXRZTDVSA-N 2 0 264.413 2.555 20 0 CFADRP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1C[NH2+]C1 ZINC000422762275 237175172 /nfs/dbraw/zinc/17/51/72/237175172.db2.gz MMJFAKLAPBKNOZ-ZUZCIYMTSA-N 2 0 264.800 2.989 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)COCc1ccccc1 ZINC000422764736 237177470 /nfs/dbraw/zinc/17/74/70/237177470.db2.gz QDCXWYOSHIVAEJ-JFIYKMOQSA-N 2 0 290.451 2.817 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000422764503 237178143 /nfs/dbraw/zinc/17/81/43/237178143.db2.gz PTXFJFYNMSOFEG-UWVGGRQHSA-N 2 0 260.303 2.921 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422796254 237217990 /nfs/dbraw/zinc/21/79/90/237217990.db2.gz XWYNSGCXBFASPQ-XYPHTWIQSA-N 2 0 292.423 2.712 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000422794840 237219144 /nfs/dbraw/zinc/21/91/44/237219144.db2.gz GZKGYPKIBYGSBP-IMJJTQAJSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797272 237221441 /nfs/dbraw/zinc/22/14/41/237221441.db2.gz LTTCEIMDGRQNFK-CMPLNLGQSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000422799549 237224032 /nfs/dbraw/zinc/22/40/32/237224032.db2.gz XFSHEEFTNMXOLB-CRAIPNDOSA-N 2 0 298.434 2.539 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1[NH3+] ZINC000251850507 540553044 /nfs/dbraw/zinc/55/30/44/540553044.db2.gz RSOVQAMSYVBTPN-BLLLJJGKSA-N 2 0 287.382 2.933 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422774271 237193023 /nfs/dbraw/zinc/19/30/23/237193023.db2.gz WKMVKEBUPMBFHD-NWDGAFQWSA-N 2 0 250.361 2.573 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422777086 237195299 /nfs/dbraw/zinc/19/52/99/237195299.db2.gz FCWXYNCBAFKVRM-UONOGXRCSA-N 2 0 262.397 2.878 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(C)ccc2OC)CC[C@H]1[NH3+] ZINC000251891359 540554388 /nfs/dbraw/zinc/55/43/88/540554388.db2.gz WAZTUVAYPOMDLP-DZGCQCFKSA-N 2 0 262.397 2.563 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422780245 237199207 /nfs/dbraw/zinc/19/92/07/237199207.db2.gz KAAOVRBNNUXNKP-MRXNPFEDSA-N 2 0 278.440 2.828 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422779847 237199646 /nfs/dbraw/zinc/19/96/46/237199646.db2.gz JGTMLEKQLSRSSK-UKRRQHHQSA-N 2 0 262.397 2.878 20 0 CFADRP Cc1cccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422783018 237202086 /nfs/dbraw/zinc/20/20/86/237202086.db2.gz GYVWHTOJPXRUDI-LSVZVQIISA-N 2 0 274.408 2.635 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])N(C)C)cc1 ZINC000422782744 237202844 /nfs/dbraw/zinc/20/28/44/237202844.db2.gz MBIGUMLCEWTDLD-SQNIBIBYSA-N 2 0 289.467 2.705 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422782506 237202911 /nfs/dbraw/zinc/20/29/11/237202911.db2.gz NFSCCSDTKMPRJY-XJKSGUPXSA-N 2 0 280.387 2.702 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1F ZINC000422784371 237207226 /nfs/dbraw/zinc/20/72/26/237207226.db2.gz LXSNMJPJEHDTOV-MXWKQRLJSA-N 2 0 254.349 2.611 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1F ZINC000422788346 237207528 /nfs/dbraw/zinc/20/75/28/237207528.db2.gz NBLMRYZTVRBXOJ-GUTXKFCHSA-N 2 0 280.387 2.571 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)c[nH]c21 ZINC000422788697 237209538 /nfs/dbraw/zinc/20/95/38/237209538.db2.gz STALLWMOGMKHQO-CXAGYDPISA-N 2 0 285.435 2.997 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422789310 237212307 /nfs/dbraw/zinc/21/23/07/237212307.db2.gz NYLMCDYYOJAHLA-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422792323 237214760 /nfs/dbraw/zinc/21/47/60/237214760.db2.gz DIXKWDDFLNBXBG-ZACQAIPSSA-N 2 0 279.472 2.501 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422792828 237216455 /nfs/dbraw/zinc/21/64/55/237216455.db2.gz ZOZITBHLQRYEEK-OLZOCXBDSA-N 2 0 250.386 2.863 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415202 540562323 /nfs/dbraw/zinc/56/23/23/540562323.db2.gz KUCWLLPJXHMZDT-FUHWJXTLSA-N 2 0 288.435 2.920 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422825972 237253902 /nfs/dbraw/zinc/25/39/02/237253902.db2.gz QIZVCWVPBZVZSE-ZWKOTPCHSA-N 2 0 298.434 2.664 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252418384 540562719 /nfs/dbraw/zinc/56/27/19/540562719.db2.gz VRRHQXGVYAGWRK-GXTWGEPZSA-N 2 0 250.411 2.712 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccccc1Br ZINC000422826711 237255265 /nfs/dbraw/zinc/25/52/65/237255265.db2.gz LWCGLGUIXANDTD-WDEREUQCSA-N 2 0 285.229 2.707 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831065 237256062 /nfs/dbraw/zinc/25/60/62/237256062.db2.gz SJEFTULOQKZLJK-KBPBESRZSA-N 3 0 295.496 2.676 20 0 CFADRP c1ccc2c(c1)CCS[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422829383 237256828 /nfs/dbraw/zinc/25/68/28/237256828.db2.gz BXSZVQDRUFXHFF-KJFZJZGVSA-N 2 0 288.460 2.890 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000422811579 237237568 /nfs/dbraw/zinc/23/75/68/237237568.db2.gz PHCLNTKIAJLJLG-XHDPSFHLSA-N 2 0 279.428 2.560 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000422814646 237239312 /nfs/dbraw/zinc/23/93/12/237239312.db2.gz VTZIQYVKQUPADV-IHRRRGAJSA-N 2 0 272.396 2.649 20 0 CFADRP C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422812631 237240412 /nfs/dbraw/zinc/24/04/12/237240412.db2.gz YAGNPPGVNVXUAT-JQHSSLGASA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422812991 237240647 /nfs/dbraw/zinc/24/06/47/237240647.db2.gz YTYGJQKMNTWDBE-YSVLISHTSA-N 2 0 258.409 2.837 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422855651 237277124 /nfs/dbraw/zinc/27/71/24/237277124.db2.gz CXISWJNEDWAMRM-ZWKOTPCHSA-N 2 0 298.434 2.664 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000669846502 540590906 /nfs/dbraw/zinc/59/09/06/540590906.db2.gz KVDYTGXKBZWART-CVEARBPZSA-N 2 0 299.478 2.520 20 0 CFADRP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000297078998 200079142 /nfs/dbraw/zinc/07/91/42/200079142.db2.gz UXFNMEGGNKVVQJ-INIZCTEOSA-N 2 0 298.434 2.500 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422866872 237285275 /nfs/dbraw/zinc/28/52/75/237285275.db2.gz RIOJSNIPTHEEGX-WBMJQRKESA-N 2 0 264.388 2.654 20 0 CFADRP Brc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666951961 540596107 /nfs/dbraw/zinc/59/61/07/540596107.db2.gz ABUXZURHHFFKAQ-ZDUSSCGKSA-N 2 0 295.224 2.681 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953782 540596556 /nfs/dbraw/zinc/59/65/56/540596556.db2.gz HWZSQTBQJJYIOX-GHMZBOCLSA-N 2 0 264.335 2.839 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422875146 237295485 /nfs/dbraw/zinc/29/54/85/237295485.db2.gz OKQXBROQJDLDBC-GHMZBOCLSA-N 2 0 272.339 2.812 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])co2)cc1 ZINC000422875693 237296069 /nfs/dbraw/zinc/29/60/69/237296069.db2.gz CUXXDTXMUADYLE-KGLIPLIRSA-N 2 0 287.407 2.908 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422876943 237297146 /nfs/dbraw/zinc/29/71/46/237297146.db2.gz GVNBOALRKMAESP-IINYFYTJSA-N 2 0 270.779 2.957 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422838530 237265279 /nfs/dbraw/zinc/26/52/79/237265279.db2.gz OSAQZGOURXRMNO-ABAIWWIYSA-N 2 0 275.371 2.567 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856424 540587998 /nfs/dbraw/zinc/58/79/98/540587998.db2.gz HQQKEZQBJUXBKN-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422882393 237303341 /nfs/dbraw/zinc/30/33/41/237303341.db2.gz ZZDMLYUOPQKBKC-CWLKWCNXSA-N 2 0 290.451 2.519 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666995498 540603882 /nfs/dbraw/zinc/60/38/82/540603882.db2.gz PFZIUJDEHQKHBK-IRXDYDNUSA-N 2 0 270.420 2.808 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993864 540603888 /nfs/dbraw/zinc/60/38/88/540603888.db2.gz PJPDZXTZYNOZJV-OAGGEKHMSA-N 2 0 279.472 2.562 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422889549 237308727 /nfs/dbraw/zinc/30/87/27/237308727.db2.gz PUNGDPSOOZAVAR-HOCLYGCPSA-N 2 0 257.381 2.570 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888076 237309164 /nfs/dbraw/zinc/30/91/64/237309164.db2.gz ZZZVCMRHZRACFK-SZNINPNASA-N 3 0 293.499 2.617 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422902502 237324791 /nfs/dbraw/zinc/32/47/91/237324791.db2.gz DLSQQJGCXINHMN-GDBMZVCRSA-N 2 0 264.388 2.865 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422901933 237325254 /nfs/dbraw/zinc/32/52/54/237325254.db2.gz LVYXBIBUFRNJEB-SNVBAGLBSA-N 2 0 291.345 2.978 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422904368 237327138 /nfs/dbraw/zinc/32/71/38/237327138.db2.gz XFWJQOCWGCOZLI-NVXWUHKLSA-N 2 0 276.424 2.884 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000422907653 237330750 /nfs/dbraw/zinc/33/07/50/237330750.db2.gz XJRHSFLUVHYKJU-UHFFFAOYSA-N 2 0 254.324 2.572 20 0 CFADRP c1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000422909583 237332931 /nfs/dbraw/zinc/33/29/31/237332931.db2.gz GLCMNFHEWZNFSB-UJJTZGENSA-N 2 0 270.420 2.880 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])Oc1ccccc1Cl ZINC000422925038 237355907 /nfs/dbraw/zinc/35/59/07/237355907.db2.gz UXWGGCNHTIHPKP-NWDGAFQWSA-N 2 0 270.804 2.824 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1Cl ZINC000422946161 237374777 /nfs/dbraw/zinc/37/47/77/237374777.db2.gz WACRUFRUAZCSLF-BXUZGUMPSA-N 2 0 282.815 2.826 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423148862 283468080 /nfs/dbraw/zinc/46/80/80/283468080.db2.gz WTRPTYWLIOMZKX-KCQAQPDRSA-N 2 0 276.449 2.983 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000422923598 237358887 /nfs/dbraw/zinc/35/88/87/237358887.db2.gz WSNOVDAGHPDNMG-UHIISALHSA-N 2 0 270.804 2.743 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000422931672 237361544 /nfs/dbraw/zinc/36/15/44/237361544.db2.gz CJORDPKUCWOOLR-AWEZNQCLSA-N 2 0 282.815 2.673 20 0 CFADRP CSc1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641802830 540632742 /nfs/dbraw/zinc/63/27/42/540632742.db2.gz PMPAVIBPEQEPJF-UONOGXRCSA-N 2 0 280.437 2.503 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422935933 237361795 /nfs/dbraw/zinc/36/17/95/237361795.db2.gz BCGGRURSXUENCO-SWLSCSKDSA-N 2 0 298.377 2.808 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CSC2(C)C)cc1 ZINC000669999362 540635425 /nfs/dbraw/zinc/63/54/25/540635425.db2.gz QHUVDKXMFRXJCA-OAHLLOKOSA-N 2 0 294.464 2.611 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2CC2)cc1 ZINC000422938852 237369915 /nfs/dbraw/zinc/36/99/15/237369915.db2.gz LARJWGGLGWEHDF-HWWQOWPSSA-N 2 0 262.397 2.862 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422940061 237372483 /nfs/dbraw/zinc/37/24/83/237372483.db2.gz ILYZPMIIQFHVFC-UHFFFAOYSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000422940706 237372686 /nfs/dbraw/zinc/37/26/86/237372686.db2.gz UFQYZHRPXLQUIM-UWVGGRQHSA-N 2 0 271.202 2.665 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422945739 237373128 /nfs/dbraw/zinc/37/31/28/237373128.db2.gz NOTCSWQOFIKPCX-RYUDHWBXSA-N 2 0 291.370 2.739 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422917024 237343837 /nfs/dbraw/zinc/34/38/37/237343837.db2.gz FHIHEBLTMPXCJK-WCXIOVBPSA-N 2 0 258.409 2.867 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422916327 237345463 /nfs/dbraw/zinc/34/54/63/237345463.db2.gz ACOLZNRBNNNCKV-CWRNSKLLSA-N 2 0 280.387 2.620 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422920005 237349301 /nfs/dbraw/zinc/34/93/01/237349301.db2.gz LLYQKDYWKQLYOJ-LERXQTSPSA-N 2 0 268.788 2.577 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422967130 237398376 /nfs/dbraw/zinc/39/83/76/237398376.db2.gz BEMWZNPIAPTVLG-QWHCGFSZSA-N 2 0 277.412 2.618 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2cccc(F)c2)c2ccccc21 ZINC000422946442 237375776 /nfs/dbraw/zinc/37/57/76/237375776.db2.gz OOKIFQGIBTUZAB-SJORKVTESA-N 2 0 286.350 2.939 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ncc(C)cc2C)CC1 ZINC000401059837 540643222 /nfs/dbraw/zinc/64/32/22/540643222.db2.gz DHGIASAWCXGDED-UHFFFAOYSA-N 2 0 275.440 2.705 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000422960562 237389639 /nfs/dbraw/zinc/38/96/39/237389639.db2.gz WWIJBMDZJFHMCW-TZMCWYRMSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422962222 237390102 /nfs/dbraw/zinc/39/01/02/237390102.db2.gz CDCNGIWYGJNBCF-HONMWMINSA-N 2 0 265.401 2.502 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H](c2ccco2)N2CCCC2)CC1 ZINC000422965237 237393064 /nfs/dbraw/zinc/39/30/64/237393064.db2.gz OBJGCJCUUSAALS-UYSNPLJNSA-N 2 0 291.439 2.524 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423030085 237459391 /nfs/dbraw/zinc/45/93/91/237459391.db2.gz TUSDNROZKVVWBU-GXTWGEPZSA-N 2 0 281.831 2.636 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423079779 237508972 /nfs/dbraw/zinc/50/89/72/237508972.db2.gz AVHQFPFJIJLLBN-MJVIPROJSA-N 2 0 270.804 2.743 20 0 CFADRP Cc1cc(N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)ncn1 ZINC000329407249 202322736 /nfs/dbraw/zinc/32/27/36/202322736.db2.gz CCVSOJLYEVJKRH-GFCCVEGCSA-N 2 0 285.395 2.706 20 0 CFADRP C([NH2+]C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)C1CC1 ZINC000403537186 540672194 /nfs/dbraw/zinc/67/21/94/540672194.db2.gz PUZBXYWPLASLEJ-OWCLPIDISA-N 2 0 262.441 2.887 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089139943 283503030 /nfs/dbraw/zinc/50/30/30/283503030.db2.gz MKNGNXRRKRERJW-HIFRSBDPSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000422817262 299307234 /nfs/dbraw/zinc/30/72/34/299307234.db2.gz HDBVRMWSFGOHIQ-NHCYSSNCSA-N 2 0 264.335 2.553 20 0 CFADRP c1ccc(COCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000381891951 540700842 /nfs/dbraw/zinc/70/08/42/540700842.db2.gz RZTUCULYJXEVAP-GOSISDBHSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000177301776 189042470 /nfs/dbraw/zinc/04/24/70/189042470.db2.gz YMFISUWPWOFEMQ-KGLIPLIRSA-N 2 0 295.858 2.627 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1coc3ccccc13)C2 ZINC000383334530 540735645 /nfs/dbraw/zinc/73/56/45/540735645.db2.gz UDQSGBYNGLEMJP-YOEHRIQHSA-N 2 0 270.376 2.994 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422895091 296020921 /nfs/dbraw/zinc/02/09/21/296020921.db2.gz VHFQLWIMEFUZSY-MNOVXSKESA-N 2 0 290.329 2.843 20 0 CFADRP C(C1CC[NH+]([C@H]2CCCOC2)CC1)[NH+]1CCCCCC1 ZINC000674300982 540818660 /nfs/dbraw/zinc/81/86/60/540818660.db2.gz KCPCLCYTSIXDGQ-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP COc1ccc(OC)c(C[N@H+](CCC[NH3+])C(C)(C)C)c1 ZINC000414677559 540827689 /nfs/dbraw/zinc/82/76/89/540827689.db2.gz OZQGRZJIULYLST-UHFFFAOYSA-N 2 0 280.412 2.653 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C[NH+]1CCCCC1 ZINC000386103716 540829759 /nfs/dbraw/zinc/82/97/59/540829759.db2.gz RTGWEMOXYOYWBL-FZKCQIBNSA-N 2 0 250.430 2.887 20 0 CFADRP C([C@@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1)[NH+]1CCCCCC1 ZINC000674303406 540820907 /nfs/dbraw/zinc/82/09/07/540820907.db2.gz WNMUUCRTCUVUOP-DLBZAZTESA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423096063 238198137 /nfs/dbraw/zinc/19/81/37/238198137.db2.gz NXDLUVVGAGMOEA-SZMVWBNQSA-N 2 0 293.499 2.904 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000423096709 238198150 /nfs/dbraw/zinc/19/81/50/238198150.db2.gz IDHXKFASYGLPBH-SGMGOOAPSA-N 2 0 261.413 2.936 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423100675 238200375 /nfs/dbraw/zinc/20/03/75/238200375.db2.gz VLBXTPFKAONEBT-OHFALNGGSA-N 2 0 260.425 2.971 20 0 CFADRP c1nn2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423097022 238200843 /nfs/dbraw/zinc/20/08/43/238200843.db2.gz AAUAFTBIBFONNI-IXDOHACOSA-N 2 0 298.434 2.735 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414909701 540830188 /nfs/dbraw/zinc/83/01/88/540830188.db2.gz CFMKWANBWNBGOT-CABCVRRESA-N 2 0 284.407 2.540 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c2O1 ZINC000414923249 540830223 /nfs/dbraw/zinc/83/02/23/540830223.db2.gz IBVNVYSYTGJJJP-LSDHHAIUSA-N 2 0 274.408 2.760 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423122325 238213464 /nfs/dbraw/zinc/21/34/64/238213464.db2.gz CEAIQEMTMRUGLF-XOUADPBQSA-N 2 0 262.372 2.789 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414907780 540830472 /nfs/dbraw/zinc/83/04/72/540830472.db2.gz BAQHPRUGZQYZEO-OLZOCXBDSA-N 2 0 284.350 2.690 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000414928490 540830899 /nfs/dbraw/zinc/83/08/99/540830899.db2.gz QBLZBVDXZCNVHI-WDEREUQCSA-N 2 0 256.752 2.839 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423127544 238217631 /nfs/dbraw/zinc/21/76/31/238217631.db2.gz CBUDDWVDSSVJSA-XQQFMLRXSA-N 2 0 290.386 2.788 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OC ZINC000414928010 540831378 /nfs/dbraw/zinc/83/13/78/540831378.db2.gz PTRHNEGRWQQOFF-GJZGRUSLSA-N 2 0 292.423 2.844 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000414925184 540831467 /nfs/dbraw/zinc/83/14/67/540831467.db2.gz LKGSQZWHWXLLEX-ATLSCFEFSA-N 2 0 293.499 2.889 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928522 540831474 /nfs/dbraw/zinc/83/14/74/540831474.db2.gz QDGXQNQPASRDLS-SJKUQHEZSA-N 2 0 260.381 2.568 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2c1 ZINC000414934015 540832054 /nfs/dbraw/zinc/83/20/54/540832054.db2.gz XOWYWBVLVNPFAV-OLZOCXBDSA-N 2 0 274.364 2.801 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101673 238202777 /nfs/dbraw/zinc/20/27/77/238202777.db2.gz WGKHATSBPLBUNT-WJNVRWDZSA-N 2 0 250.361 2.787 20 0 CFADRP CC(C)(Cc1ccc(Br)cc1)[NH2+]CCC[NH3+] ZINC000415078473 540834170 /nfs/dbraw/zinc/83/41/70/540834170.db2.gz IREHVWTZIBDDQH-UHFFFAOYSA-N 2 0 285.229 2.709 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000423114942 238208301 /nfs/dbraw/zinc/20/83/01/238208301.db2.gz MQPOKPWBXMUDQH-XHDPSFHLSA-N 2 0 280.387 2.929 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H](CO)c2ccccc2Cl)CC1 ZINC000423118572 238210470 /nfs/dbraw/zinc/21/04/70/238210470.db2.gz BGFILZKNQJDFHN-MOKVOYLWSA-N 2 0 296.842 2.523 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423119550 238211293 /nfs/dbraw/zinc/21/12/93/238211293.db2.gz DUXRHCGGTDKKBM-YYIAUSFCSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423138774 238226410 /nfs/dbraw/zinc/22/64/10/238226410.db2.gz UAYPPFAKVXKNLY-RKDXNWHRSA-N 2 0 276.302 2.643 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423144439 238230455 /nfs/dbraw/zinc/23/04/55/238230455.db2.gz GWRAFMNJLFWEKE-UXEPBGEESA-N 2 0 292.398 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC(C)(F)F ZINC000423145424 238230866 /nfs/dbraw/zinc/23/08/66/238230866.db2.gz KRCAGSWNDSQGKC-AAEUAGOBSA-N 2 0 256.340 2.580 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CSc2ccccc21 ZINC000423143979 238231884 /nfs/dbraw/zinc/23/18/84/238231884.db2.gz FUHWAHPXXGSGMD-TUAOUCFPSA-N 2 0 250.411 2.591 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423147256 238234585 /nfs/dbraw/zinc/23/45/85/238234585.db2.gz RMRQYTFMDIMWEO-SUMWQHHRSA-N 2 0 276.424 2.969 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000423152452 238235481 /nfs/dbraw/zinc/23/54/81/238235481.db2.gz FCPAJFVHCMMRMT-OKZBNKHCSA-N 2 0 290.451 2.914 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423152539 238236053 /nfs/dbraw/zinc/23/60/53/238236053.db2.gz LTBJNPJINBPCFG-GOEBONIOSA-N 2 0 264.388 2.784 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423155867 238240327 /nfs/dbraw/zinc/24/03/27/238240327.db2.gz RGYRIUKAIBYMLS-XJKSGUPXSA-N 2 0 264.388 2.654 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C ZINC000670267838 540848825 /nfs/dbraw/zinc/84/88/25/540848825.db2.gz VSHFCHVJWFEGAP-LSDHHAIUSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H](CNc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)(C)C ZINC000670267985 540849304 /nfs/dbraw/zinc/84/93/04/540849304.db2.gz AJGOPQAWFBQHRU-AWEZNQCLSA-N 2 0 290.455 2.928 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423132961 238222653 /nfs/dbraw/zinc/22/26/53/238222653.db2.gz PWMJLBIXIKWZGJ-WJNVRWDZSA-N 2 0 250.361 2.787 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423139181 238225731 /nfs/dbraw/zinc/22/57/31/238225731.db2.gz ZDBOVIYPNJZDEJ-QWRGUYRKSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423172875 238254021 /nfs/dbraw/zinc/25/40/21/238254021.db2.gz VURNXNZLFZRMQR-DDUYRFODSA-N 2 0 262.372 2.659 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173471 238254168 /nfs/dbraw/zinc/25/41/68/238254168.db2.gz YVZJVKSLWLKJPS-DLKVLKDVSA-N 2 0 262.372 2.789 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH3+])c2ccccc12 ZINC000423176637 238255484 /nfs/dbraw/zinc/25/54/84/238255484.db2.gz HLMXDVOTYFXNHI-LBPRGKRZSA-N 2 0 258.365 2.848 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423159139 238242402 /nfs/dbraw/zinc/24/24/02/238242402.db2.gz OWGNEFVVSKSGIR-IPELMVKDSA-N 2 0 296.414 2.979 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccnc(C(F)(F)F)c1 ZINC000423156624 238242546 /nfs/dbraw/zinc/24/25/46/238242546.db2.gz LINPKIUDUPPKMA-NEPJUHHUSA-N 2 0 287.329 2.850 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccnc(C(F)(F)F)c2)CC1 ZINC000423165950 238247178 /nfs/dbraw/zinc/24/71/78/238247178.db2.gz YLFPUJZEFHHVLU-UHFFFAOYSA-N 2 0 287.329 2.708 20 0 CFADRP Fc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423166711 238248114 /nfs/dbraw/zinc/24/81/14/238248114.db2.gz VWCGZTLBYLVMIH-XYPWUTKMSA-N 2 0 274.383 2.773 20 0 CFADRP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423166970 238248339 /nfs/dbraw/zinc/24/83/39/238248339.db2.gz ROIBIFHBJOVVPG-BFHYXJOUSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000423167322 238248895 /nfs/dbraw/zinc/24/88/95/238248895.db2.gz SCBCNNDDEJRTLU-GHMZBOCLSA-N 2 0 285.229 2.707 20 0 CFADRP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423166972 238249338 /nfs/dbraw/zinc/24/93/38/238249338.db2.gz ROIBIFHBJOVVPG-MGPQQGTHSA-N 2 0 272.383 2.932 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000423169890 238250527 /nfs/dbraw/zinc/25/05/27/238250527.db2.gz WVHHDYISICZYAY-JTQLQIEISA-N 2 0 283.366 2.935 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423204244 238275601 /nfs/dbraw/zinc/27/56/01/238275601.db2.gz DFVFPDOZTGVZQO-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423206048 238276345 /nfs/dbraw/zinc/27/63/45/238276345.db2.gz FRDQHDWVSDBFIV-FSDCSDTHSA-N 2 0 258.409 2.768 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000166264339 540883629 /nfs/dbraw/zinc/88/36/29/540883629.db2.gz WHAUFXIHWCAFJN-CWRNSKLLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423227507 238291068 /nfs/dbraw/zinc/29/10/68/238291068.db2.gz WAYVMVQAPXOTQR-IUCAKERBSA-N 2 0 276.302 2.815 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@H](OCC)C(C)C)CC1 ZINC000155684909 540892335 /nfs/dbraw/zinc/89/23/35/540892335.db2.gz VJJAXCTXJJYNFJ-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000423212419 238281685 /nfs/dbraw/zinc/28/16/85/238281685.db2.gz LVPRPWIVGZWKBQ-ABAIWWIYSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423214776 238283341 /nfs/dbraw/zinc/28/33/41/238283341.db2.gz NCHURJWVFFZLSO-GTGVMSEGSA-N 2 0 274.383 2.932 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(OC(F)F)c1 ZINC000423240223 238300473 /nfs/dbraw/zinc/30/04/73/238300473.db2.gz XDYBILQDRSEJRF-VHSXEESVSA-N 2 0 258.312 2.676 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423242969 238302870 /nfs/dbraw/zinc/30/28/70/238302870.db2.gz FYJHJBRUBYKVFK-ILXRZTDVSA-N 2 0 276.424 2.776 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423243477 238304725 /nfs/dbraw/zinc/30/47/25/238304725.db2.gz ZXLSYWASEFWFTI-UWVGGRQHSA-N 2 0 258.312 2.676 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1C(C)(C)C ZINC000423247249 238305613 /nfs/dbraw/zinc/30/56/13/238305613.db2.gz KWQSBWGTNWHHIX-JSGCOSHPSA-N 2 0 278.444 2.597 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000423254908 238312053 /nfs/dbraw/zinc/31/20/53/238312053.db2.gz ZWMCOWAGLOAOQM-RDTXWAMCSA-N 2 0 299.393 2.899 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423264367 238319081 /nfs/dbraw/zinc/31/90/81/238319081.db2.gz YKCXALABCSJBPD-FUHWJXTLSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423276562 238332888 /nfs/dbraw/zinc/33/28/88/238332888.db2.gz OOZLSMKTAUBSBR-IAGOWNOFSA-N 2 0 260.425 2.889 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CC2)c1 ZINC000423311632 238366841 /nfs/dbraw/zinc/36/68/41/238366841.db2.gz CCWZTXDHDHYTBX-DLBZAZTESA-N 2 0 258.409 2.643 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000423289198 238348740 /nfs/dbraw/zinc/34/87/40/238348740.db2.gz ANRKOUAUJSUCKL-ZIAGYGMSSA-N 2 0 299.418 2.831 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000423293580 238351669 /nfs/dbraw/zinc/35/16/69/238351669.db2.gz AFOSFAOABJHVBL-MNOVXSKESA-N 2 0 272.339 2.842 20 0 CFADRP COc1ccc2oc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c(C)c2c1 ZINC000423298545 238355510 /nfs/dbraw/zinc/35/55/10/238355510.db2.gz OMTROWXASDYLSY-PWSUYJOCSA-N 2 0 276.380 2.995 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423465298 299319433 /nfs/dbraw/zinc/31/94/33/299319433.db2.gz HPELQNHKBKKQHY-KKUMJFAQSA-N 2 0 275.440 2.921 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423302708 238358871 /nfs/dbraw/zinc/35/88/71/238358871.db2.gz HZQGQTGHVYYFRQ-SFYZADRCSA-N 2 0 277.231 2.756 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CC[NH+](C)CC1 ZINC000158437056 540973117 /nfs/dbraw/zinc/97/31/17/540973117.db2.gz QEKLBBFXNKWMSY-HOCLYGCPSA-N 2 0 288.435 2.873 20 0 CFADRP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423332549 238383588 /nfs/dbraw/zinc/38/35/88/238383588.db2.gz DJUVCOUOXDLWGK-SJLPKXTDSA-N 2 0 286.419 2.664 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[NH3+] ZINC000423331377 238383983 /nfs/dbraw/zinc/38/39/83/238383983.db2.gz QGMVXJSKEFXIMY-LLVKDONJSA-N 2 0 274.330 2.965 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331760 238384195 /nfs/dbraw/zinc/38/41/95/238384195.db2.gz CWDRDGSVCXLXAU-AWEZNQCLSA-N 2 0 274.408 2.526 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)o1 ZINC000423334726 238385500 /nfs/dbraw/zinc/38/55/00/238385500.db2.gz RCUSGIAGFAZUSZ-LBPRGKRZSA-N 2 0 250.386 2.937 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCC[NH3+])C1 ZINC000423334331 238385867 /nfs/dbraw/zinc/38/58/67/238385867.db2.gz SRFZWBCBIPKEIX-GJZGRUSLSA-N 2 0 261.413 2.745 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000166466543 540979656 /nfs/dbraw/zinc/97/96/56/540979656.db2.gz PYHYKQFZBUSERU-LSDHHAIUSA-N 2 0 293.480 2.991 20 0 CFADRP [NH3+]C1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000423315410 238368914 /nfs/dbraw/zinc/36/89/14/238368914.db2.gz ARGPWZXQPWUBMQ-GDBMZVCRSA-N 2 0 274.408 2.625 20 0 CFADRP [NH3+][C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)C1CC1 ZINC000423315077 238369365 /nfs/dbraw/zinc/36/93/65/238369365.db2.gz IIDZBYAHZAZJGX-BCLQGDPASA-N 2 0 266.429 2.584 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000159072776 540984165 /nfs/dbraw/zinc/98/41/65/540984165.db2.gz XGNFPUNCTMPYEF-INIZCTEOSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423339587 238391379 /nfs/dbraw/zinc/39/13/79/238391379.db2.gz VKIXONDMPDWICJ-ZWKOTPCHSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@]1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCC[NH2+]C1 ZINC000423339611 238391662 /nfs/dbraw/zinc/39/16/62/238391662.db2.gz LJUOQUJZTGHHAI-HOTGVXAUSA-N 2 0 277.387 2.651 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423342602 238392597 /nfs/dbraw/zinc/39/25/97/238392597.db2.gz ZADDNXJSOLIAFV-DAXOMENPSA-N 2 0 262.397 2.516 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000423345775 238394201 /nfs/dbraw/zinc/39/42/01/238394201.db2.gz ZARYHBYAUJHZKY-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000666127343 541004882 /nfs/dbraw/zinc/00/48/82/541004882.db2.gz OHPDNKQOEGZANX-HUUCEWRRSA-N 2 0 276.424 2.531 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1OC ZINC000423450305 238463822 /nfs/dbraw/zinc/46/38/22/238463822.db2.gz HGHQGKLTOGXVNB-OLZOCXBDSA-N 2 0 294.439 2.660 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313042686 541037848 /nfs/dbraw/zinc/03/78/48/541037848.db2.gz YJEWRGPKGVAROW-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](CN1CCCCC1)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000312227334 541030850 /nfs/dbraw/zinc/03/08/50/541030850.db2.gz DNSOYSYIENMUNB-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000183286184 189353475 /nfs/dbraw/zinc/35/34/75/189353475.db2.gz LBHMTNQHFXCUEA-AWEZNQCLSA-N 2 0 276.424 2.702 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000666645432 541126628 /nfs/dbraw/zinc/12/66/28/541126628.db2.gz SMFAFFGAUBTIMB-ROUUACIJSA-N 2 0 289.467 2.566 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000671765121 541126822 /nfs/dbraw/zinc/12/68/22/541126822.db2.gz MUXWSPNSZUQIKJ-HNNXBMFYSA-N 2 0 275.440 2.643 20 0 CFADRP CO[C@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000425423627 239054958 /nfs/dbraw/zinc/05/49/58/239054958.db2.gz QWELKYGZMQVLOV-GOSISDBHSA-N 2 0 294.483 2.999 20 0 CFADRP c1ccc(OCCCCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666857683 541152910 /nfs/dbraw/zinc/15/29/10/541152910.db2.gz FAFULUSJDGWGFE-MRXNPFEDSA-N 2 0 276.424 2.967 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCC[NH2+]CC2)CC1 ZINC000666857881 541153120 /nfs/dbraw/zinc/15/31/20/541153120.db2.gz OAUNFPJDKVBOHV-SOLBZPMBSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nccc2ccccc21 ZINC000666937602 541163873 /nfs/dbraw/zinc/16/38/73/541163873.db2.gz AKKAEMCNNIWAPX-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000666950857 541165238 /nfs/dbraw/zinc/16/52/38/541165238.db2.gz NJNDZNHVOZJMTR-INIZCTEOSA-N 2 0 258.409 2.844 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950974 541165241 /nfs/dbraw/zinc/16/52/41/541165241.db2.gz UWNDNNQIDYOAFN-CYBMUJFWSA-N 2 0 250.773 2.572 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666950695 541165339 /nfs/dbraw/zinc/16/53/39/541165339.db2.gz BJGRSGOKILJKKY-AWEZNQCLSA-N 2 0 280.799 2.580 20 0 CFADRP c1ccc(-c2cccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)c2)nc1 ZINC000666952325 541165890 /nfs/dbraw/zinc/16/58/90/541165890.db2.gz QWNTXAFKAOENEN-GOSISDBHSA-N 2 0 293.414 2.980 20 0 CFADRP c1ccc(C2CC2)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952234 541165966 /nfs/dbraw/zinc/16/59/66/541165966.db2.gz LTLOSXBAZMNQCO-INIZCTEOSA-N 2 0 256.393 2.796 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952210 541165988 /nfs/dbraw/zinc/16/59/88/541165988.db2.gz KLAUIHUKIKVUEE-HNNXBMFYSA-N 2 0 285.366 2.606 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952094 541166044 /nfs/dbraw/zinc/16/60/44/541166044.db2.gz FRXHFNHVWLZCJR-INIZCTEOSA-N 2 0 296.418 2.617 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000666953578 541166345 /nfs/dbraw/zinc/16/63/45/541166345.db2.gz BLAMSZLHCZAKLQ-SVGFKBNWSA-N 2 0 270.420 2.910 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954385 541166463 /nfs/dbraw/zinc/16/64/63/541166463.db2.gz VZTKQXYCARFQDR-CVEARBPZSA-N 2 0 258.409 2.739 20 0 CFADRP CCOc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000666993832 541170627 /nfs/dbraw/zinc/17/06/27/541170627.db2.gz NFCQMNOGKQJDGK-AWEZNQCLSA-N 2 0 292.398 2.989 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C[C@@H]1C[NH3+] ZINC000667040054 541178380 /nfs/dbraw/zinc/17/83/80/541178380.db2.gz WUHDHFWPUONJSP-DYVFJYSZSA-N 2 0 269.392 2.652 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427122490 239284897 /nfs/dbraw/zinc/28/48/97/239284897.db2.gz REYMMVBVRPOHBO-WMZOPIPTSA-N 2 0 288.435 2.920 20 0 CFADRP Cc1ncc(C[N@H+](C)CCCc2ccccc2)n1C ZINC000667504598 541246157 /nfs/dbraw/zinc/24/61/57/541246157.db2.gz YNPOCXMFZJZNOV-UHFFFAOYSA-N 2 0 257.381 2.793 20 0 CFADRP Cc1ncc(CN(Cc2ccccc2)C[C@@H]2CCCO2)n1C ZINC000667549695 541253987 /nfs/dbraw/zinc/25/39/87/541253987.db2.gz TYLIKJYOVFOGKX-SFHVURJKSA-N 2 0 299.418 2.910 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000427994593 239360023 /nfs/dbraw/zinc/36/00/23/239360023.db2.gz SQZJPNRGTGNULJ-MRXNPFEDSA-N 2 0 261.413 2.734 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)C(C)(C)C ZINC000667864736 541330619 /nfs/dbraw/zinc/33/06/19/541330619.db2.gz IARRXMLPVPYKSS-ILXRZTDVSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3CC(O)C3)CC2)C1 ZINC000432411472 240002497 /nfs/dbraw/zinc/00/24/97/240002497.db2.gz YMWURJQQLVELFD-JOKDJRIQSA-N 2 0 294.483 2.780 20 0 CFADRP CCOC1CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000668159472 541389611 /nfs/dbraw/zinc/38/96/11/541389611.db2.gz XKZPVCIDFABGAR-QQFBHYJXSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)C(C)C)CC1)CC1CC1 ZINC000432778006 240040935 /nfs/dbraw/zinc/04/09/35/240040935.db2.gz CKLWODOXEZRGDH-SFHVURJKSA-N 2 0 296.499 2.837 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000668159167 541389945 /nfs/dbraw/zinc/38/99/45/541389945.db2.gz MJUJDBMESUQNRW-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP CCCCN(CCCC)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116749 240103567 /nfs/dbraw/zinc/10/35/67/240103567.db2.gz MSMXPGMJNFVHMK-UHFFFAOYSA-N 2 0 297.487 2.619 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000433065398 240091274 /nfs/dbraw/zinc/09/12/74/240091274.db2.gz CLGROIUGQVRQHO-HLLBOEOZSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCN1CCOCC1 ZINC000433282540 240136655 /nfs/dbraw/zinc/13/66/55/240136655.db2.gz MQBZKDJDJOCPQU-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000435376823 240305286 /nfs/dbraw/zinc/30/52/86/240305286.db2.gz VEUZMGDMODSRHK-OCCSQVGLSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000435390272 240310287 /nfs/dbraw/zinc/31/02/87/240310287.db2.gz OSUFFWOYIVVNJI-INIZCTEOSA-N 2 0 290.451 2.695 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435388632 240310578 /nfs/dbraw/zinc/31/05/78/240310578.db2.gz IABHFGVPBGPYTI-DZGCQCFKSA-N 2 0 294.414 2.554 20 0 CFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000435390123 240310653 /nfs/dbraw/zinc/31/06/53/240310653.db2.gz ACUSRAGPVYVFFD-GJZGRUSLSA-N 2 0 260.425 2.924 20 0 CFADRP CSc1ccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435625220 240334987 /nfs/dbraw/zinc/33/49/87/240334987.db2.gz ZUKJIADNNGJNCB-CQSZACIVSA-N 2 0 294.464 2.861 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC2(F)F)[C@H]2CCC[C@@H]21 ZINC000672619462 541445080 /nfs/dbraw/zinc/44/50/80/541445080.db2.gz BNWZTILQMNVPCM-MROQNXINSA-N 2 0 258.356 2.637 20 0 CFADRP CC(C)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428181 240315215 /nfs/dbraw/zinc/31/52/15/240315215.db2.gz PHHHMWQOZRHHJU-CYBMUJFWSA-N 2 0 279.453 2.743 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000275798617 193130851 /nfs/dbraw/zinc/13/08/51/193130851.db2.gz ZRDRAIKMUFOWAQ-KBPBESRZSA-N 2 0 264.388 2.813 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442804258 241002505 /nfs/dbraw/zinc/00/25/05/241002505.db2.gz VZMQFTJYPYXQMU-CZUORRHYSA-N 2 0 271.408 2.640 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000442918947 241019820 /nfs/dbraw/zinc/01/98/20/241019820.db2.gz DJISXKUNIFRQHK-LBPRGKRZSA-N 2 0 284.350 2.849 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442927975 241022328 /nfs/dbraw/zinc/02/23/28/241022328.db2.gz OWXSNXOUWWEEJC-CABCVRRESA-N 2 0 276.424 2.860 20 0 CFADRP OCCC1([NH2+]CCC[NH+]2CCCCC2)CCCCC1 ZINC000444573193 241149784 /nfs/dbraw/zinc/14/97/84/241149784.db2.gz VTBQZMLPQGWMFV-UHFFFAOYSA-N 2 0 268.445 2.537 20 0 CFADRP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000446740379 241322281 /nfs/dbraw/zinc/32/22/81/241322281.db2.gz CUZYKFXRIATWKN-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCCC(C)(C)C1)[C@@H]1CCOC1 ZINC000447577744 241386913 /nfs/dbraw/zinc/38/69/13/241386913.db2.gz IOTANSZOVSAAMX-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C(C[NH+]1CCC[C@@H]1C1CC1)OCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000674233676 541548778 /nfs/dbraw/zinc/54/87/78/541548778.db2.gz NARKSPVGTKTBHP-HDICACEKSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000422899283 299372641 /nfs/dbraw/zinc/37/26/41/299372641.db2.gz OEQMBJBYUNMMPH-RRQGHBQHSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]3O)CC2)C1 ZINC000449737928 242126139 /nfs/dbraw/zinc/12/61/39/242126139.db2.gz VXQOMFITAXKRKW-MXSMSXNCSA-N 2 0 294.483 2.780 20 0 CFADRP CCc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC000450356302 242375786 /nfs/dbraw/zinc/37/57/86/242375786.db2.gz GOXGFHUJLPWENE-HNNXBMFYSA-N 2 0 261.413 2.955 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CCCC1)C1C[NH2+]C1 ZINC000423064517 296120193 /nfs/dbraw/zinc/12/01/93/296120193.db2.gz RNNXHBIUDKJUDV-GFCCVEGCSA-N 2 0 294.389 2.974 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000340474333 296121384 /nfs/dbraw/zinc/12/13/84/296121384.db2.gz GQVIZESEPUHZTG-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675741952 541686519 /nfs/dbraw/zinc/68/65/19/541686519.db2.gz JNIWIGIRTYARPT-MRXNPFEDSA-N 2 0 281.488 2.737 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC[C@H]1C ZINC000675746646 541687488 /nfs/dbraw/zinc/68/74/88/541687488.db2.gz PAAFATHRNBFLKV-PMPSAXMXSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000423174816 296123679 /nfs/dbraw/zinc/12/36/79/296123679.db2.gz CBJRVZQJAQYCAM-MRXNPFEDSA-N 2 0 297.446 2.786 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453052224 243376967 /nfs/dbraw/zinc/37/69/67/243376967.db2.gz CCLAJDDBKDCHSM-GJZGRUSLSA-N 2 0 278.444 2.508 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c2nccn21 ZINC000453070045 243387138 /nfs/dbraw/zinc/38/71/38/243387138.db2.gz ZTLSBQZFCYTJGW-PMPSAXMXSA-N 2 0 290.455 2.991 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675820978 541698379 /nfs/dbraw/zinc/69/83/79/541698379.db2.gz BRVIPDFBWYUZCU-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000420419228 296126828 /nfs/dbraw/zinc/12/68/28/296126828.db2.gz XKCXUESWICRFQJ-HUUCEWRRSA-N 2 0 260.425 2.942 20 0 CFADRP C[C@H](CCSc1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000676250697 541737065 /nfs/dbraw/zinc/73/70/65/541737065.db2.gz VBAPSBIWDHPEFV-ILXRZTDVSA-N 2 0 276.449 2.709 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456257908 244118773 /nfs/dbraw/zinc/11/87/73/244118773.db2.gz DFVWZWYVRGSUBE-MRXNPFEDSA-N 2 0 289.423 2.516 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000676716799 541782103 /nfs/dbraw/zinc/78/21/03/541782103.db2.gz XPTSXWLHPBSGOB-HRCADAONSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2cnccc2C)C1 ZINC000276466206 193343363 /nfs/dbraw/zinc/34/33/63/193343363.db2.gz OTVZRTZBCORYKO-INIZCTEOSA-N 2 0 275.440 2.596 20 0 CFADRP C(CC[NH2+]C1CCN(C2CC2)CC1)CC[NH+]1CCCCC1 ZINC000459407887 245169517 /nfs/dbraw/zinc/16/95/17/245169517.db2.gz VYIQMAZLLBVEMT-UHFFFAOYSA-N 2 0 293.499 2.859 20 0 CFADRP Cc1ccsc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459738701 245296532 /nfs/dbraw/zinc/29/65/32/245296532.db2.gz SEODBZUADSVAGJ-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725146 245285523 /nfs/dbraw/zinc/28/55/23/245285523.db2.gz FPVLNKITJJOREQ-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459779784 245321603 /nfs/dbraw/zinc/32/16/03/245321603.db2.gz LOXASNUNKFCTGM-GOEBONIOSA-N 2 0 276.424 2.645 20 0 CFADRP CC(C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000034823849 372514183 /nfs/dbraw/zinc/51/41/83/372514183.db2.gz XRWKEOTYGMKEQI-UHFFFAOYSA-N 2 0 275.440 2.715 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000035648062 372550780 /nfs/dbraw/zinc/55/07/80/372550780.db2.gz LJDWFMHHAFRJIO-HNNXBMFYSA-N 2 0 276.424 2.702 20 0 CFADRP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000036300314 372570347 /nfs/dbraw/zinc/57/03/47/372570347.db2.gz LRMNYDHKIVALKK-UHFFFAOYSA-N 2 0 272.314 2.889 20 0 CFADRP CC(C)COCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000037374268 372664261 /nfs/dbraw/zinc/66/42/61/372664261.db2.gz XWGLTNJLGPQCCH-UHFFFAOYSA-N 2 0 291.439 2.703 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000037374249 372664492 /nfs/dbraw/zinc/66/44/92/372664492.db2.gz UIZCOXSEVGIBON-AWEZNQCLSA-N 2 0 282.391 2.796 20 0 CFADRP Fc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000037374302 372664822 /nfs/dbraw/zinc/66/48/22/372664822.db2.gz DLOGBQVSEHVLMS-UHFFFAOYSA-N 2 0 285.366 2.979 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000037644056 372679054 /nfs/dbraw/zinc/67/90/54/372679054.db2.gz BIEATBNATGDVKZ-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccco2)C1 ZINC000037644325 372681509 /nfs/dbraw/zinc/68/15/09/372681509.db2.gz YXMXCZVFFNLNKH-UONOGXRCSA-N 2 0 250.386 2.532 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cccc3cccnc32)CC1 ZINC000037980086 372745845 /nfs/dbraw/zinc/74/58/45/372745845.db2.gz MDFFUHFUHXUBQK-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(O)cc1)C[NH+]1CCCCC1 ZINC000037997471 372755740 /nfs/dbraw/zinc/75/57/40/372755740.db2.gz BPXNVUIHIQPPEW-AWEZNQCLSA-N 2 0 262.397 2.604 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000040770136 372787317 /nfs/dbraw/zinc/78/73/17/372787317.db2.gz PYUSZZFMUBOSPJ-SJLPKXTDSA-N 2 0 289.467 2.609 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000333288280 205186138 /nfs/dbraw/zinc/18/61/38/205186138.db2.gz NYFCUXPDTYCWKZ-MGPQQGTHSA-N 2 0 279.428 2.592 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000041665304 372856821 /nfs/dbraw/zinc/85/68/21/372856821.db2.gz AAWUNLQXSXVRJC-GOSISDBHSA-N 2 0 296.414 2.796 20 0 CFADRP Cc1csc(C2([NH2+]C3CCC([NH3+])CC3)CCC2)n1 ZINC000333328299 205222331 /nfs/dbraw/zinc/22/23/31/205222331.db2.gz VUAJVKGKSQDZJU-UHFFFAOYSA-N 2 0 265.426 2.690 20 0 CFADRP CCc1ccc(C[NH+]2CCC(CC[NH3+])CC2)s1 ZINC000042427569 372922526 /nfs/dbraw/zinc/92/25/26/372922526.db2.gz ZBNCAKFPKVKNFN-UHFFFAOYSA-N 2 0 252.427 2.871 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)ccc1OC ZINC000045663888 373026414 /nfs/dbraw/zinc/02/64/14/373026414.db2.gz YWDXYSDVYGPXBJ-CQSZACIVSA-N 2 0 294.439 2.834 20 0 CFADRP CCCOc1cccc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000045598261 373021859 /nfs/dbraw/zinc/02/18/59/373021859.db2.gz XYXZKJRVUKNEBK-UHFFFAOYSA-N 2 0 264.413 2.907 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000049825177 373318796 /nfs/dbraw/zinc/31/87/96/373318796.db2.gz VSWHHXKPIQPILM-UHFFFAOYSA-N 2 0 262.397 2.529 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000049825198 373320306 /nfs/dbraw/zinc/32/03/06/373320306.db2.gz HZWODDGPEJREEO-UHFFFAOYSA-N 2 0 276.424 2.920 20 0 CFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CCC([NH3+])CC1 ZINC000051693775 373405536 /nfs/dbraw/zinc/40/55/36/373405536.db2.gz UYVKNCCWXMEFIX-GRTSSRMGSA-N 2 0 290.407 2.596 20 0 CFADRP C[N@H+](Cc1ccc(Br)cc1)CC(C)(C)C[NH3+] ZINC000051285522 373391270 /nfs/dbraw/zinc/39/12/70/373391270.db2.gz OYXPDMWQYKSLIO-UHFFFAOYSA-N 2 0 285.229 2.866 20 0 CFADRP CC(C)[NH+](CCNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000052046718 373432743 /nfs/dbraw/zinc/43/27/43/373432743.db2.gz VTKAECBYPZYFSF-UHFFFAOYSA-N 2 0 262.401 2.742 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000052092063 373435146 /nfs/dbraw/zinc/43/51/46/373435146.db2.gz WYMGIMKZXGOOTR-VYDXJSESSA-N 2 0 276.424 2.774 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243581 373508911 /nfs/dbraw/zinc/50/89/11/373508911.db2.gz WLWYVHYWLZKHAE-LBPRGKRZSA-N 2 0 252.427 2.611 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000060717453 373703925 /nfs/dbraw/zinc/70/39/25/373703925.db2.gz OVRRYOBYFALXID-UHFFFAOYSA-N 2 0 268.351 2.581 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(O)c1)C[NH+]1CCCC1 ZINC000062077498 373746775 /nfs/dbraw/zinc/74/67/75/373746775.db2.gz WWVGFAFGRLEWLJ-KBPBESRZSA-N 2 0 262.397 2.775 20 0 CFADRP Fc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197890 373794434 /nfs/dbraw/zinc/79/44/34/373794434.db2.gz CCZLYXOVUOWWNI-INIZCTEOSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@@H](c1ccccn1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197565 373795699 /nfs/dbraw/zinc/79/56/99/373795699.db2.gz LVDSSLUEEXUCSI-XJKSGUPXSA-N 2 0 259.397 2.607 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197695 373795791 /nfs/dbraw/zinc/79/57/91/373795791.db2.gz LRVATNPLIKOLOE-KRWDZBQOSA-N 2 0 258.409 2.959 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000063200162 373797104 /nfs/dbraw/zinc/79/71/04/373797104.db2.gz DDANIEILTWGJBN-MRXNPFEDSA-N 2 0 292.398 2.798 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000066152277 373916591 /nfs/dbraw/zinc/91/65/91/373916591.db2.gz XAUYCRLMVBYIAI-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000069502072 374070402 /nfs/dbraw/zinc/07/04/02/374070402.db2.gz DRZYECKDDMPYRS-UHFFFAOYSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000070074151 374122122 /nfs/dbraw/zinc/12/21/22/374122122.db2.gz HXJFMFCQISVYHZ-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP CCCc1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000070170974 374135214 /nfs/dbraw/zinc/13/52/14/374135214.db2.gz RNMMHJCXESKJIG-GFCCVEGCSA-N 2 0 267.442 2.656 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000070169655 374135979 /nfs/dbraw/zinc/13/59/79/374135979.db2.gz IEAIIJUWGXETHG-AWEZNQCLSA-N 2 0 262.397 2.564 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000070174008 374139559 /nfs/dbraw/zinc/13/95/59/374139559.db2.gz HBVCMRCMPNBQHD-KBPBESRZSA-N 2 0 264.438 2.838 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000571479486 383698386 /nfs/dbraw/zinc/69/83/86/383698386.db2.gz ZIZDBXMBVDCSCO-CQSZACIVSA-N 2 0 288.435 2.787 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000070315901 374165273 /nfs/dbraw/zinc/16/52/73/374165273.db2.gz UWTFBKZXYSITJQ-ZDUSSCGKSA-N 2 0 277.412 2.594 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000491025154 246037138 /nfs/dbraw/zinc/03/71/38/246037138.db2.gz VSXIGKKUXQHFML-BLLLJJGKSA-N 2 0 278.827 2.955 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070498128 374187519 /nfs/dbraw/zinc/18/75/19/374187519.db2.gz BSOPSEJBWCNRSV-GUYCJALGSA-N 2 0 258.409 2.735 20 0 CFADRP FC(F)[C@H]1CC[NH+](CCC[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677900671 541921704 /nfs/dbraw/zinc/92/17/04/541921704.db2.gz XNSDKMZENYZTQZ-QWRGUYRKSA-N 2 0 282.325 2.551 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000678073367 541946524 /nfs/dbraw/zinc/94/65/24/541946524.db2.gz RYFXCERULRUGOU-OKZBNKHCSA-N 2 0 299.462 2.539 20 0 CFADRP C[N@H+](CCCC[NH2+]C1CCC2(CCCO2)CC1)C1CC1 ZINC000571514043 383700805 /nfs/dbraw/zinc/70/08/05/383700805.db2.gz SQHXLHYOUUBYKU-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCOc2ccccc21 ZINC000678238878 541980719 /nfs/dbraw/zinc/98/07/19/541980719.db2.gz JPSZXFOCISWSGM-INIZCTEOSA-N 2 0 288.435 2.826 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081637829 374711969 /nfs/dbraw/zinc/71/19/69/374711969.db2.gz ZLJPONKTNSZCPG-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000084677904 374788306 /nfs/dbraw/zinc/78/83/06/374788306.db2.gz VLEGDZVZXSLBQU-MRXNPFEDSA-N 2 0 260.425 2.811 20 0 CFADRP CCn1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c2ccccc21 ZINC000089175918 374884612 /nfs/dbraw/zinc/88/46/12/374884612.db2.gz IWJXGNNROUJWCZ-AWEZNQCLSA-N 2 0 286.423 2.617 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000088163951 374835082 /nfs/dbraw/zinc/83/50/82/374835082.db2.gz AURLGBZTGABFNC-AVOUXACISA-N 2 0 259.397 2.748 20 0 CFADRP COCc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000088553706 374853522 /nfs/dbraw/zinc/85/35/22/374853522.db2.gz DMFYKRLEAQSOGC-OAHLLOKOSA-N 2 0 276.424 2.655 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccccc2)[C@H](C)C1 ZINC000089721979 374940983 /nfs/dbraw/zinc/94/09/83/374940983.db2.gz YBDFDVVCKSVVLZ-BFYDXBDKSA-N 2 0 276.424 2.774 20 0 CFADRP c1ccc(CC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000089749148 374943803 /nfs/dbraw/zinc/94/38/03/374943803.db2.gz BAYLGPVRRRDALO-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000089749200 374944937 /nfs/dbraw/zinc/94/49/37/374944937.db2.gz TVTPXKPVGKKDBJ-LBPRGKRZSA-N 2 0 252.789 2.771 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000089426355 374903601 /nfs/dbraw/zinc/90/36/01/374903601.db2.gz BZBRPFBAXPWWAS-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH+](C)C)CC1)c1ccccn1 ZINC000090706856 375023195 /nfs/dbraw/zinc/02/31/95/375023195.db2.gz YCOHBSSCHCZCKI-NFOMZHRRSA-N 2 0 261.413 2.853 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000092381241 375106578 /nfs/dbraw/zinc/10/65/78/375106578.db2.gz ZEEPVUFBJFRZQZ-UHFFFAOYSA-N 2 0 292.471 2.871 20 0 CFADRP c1ccc2c(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000091672658 375058098 /nfs/dbraw/zinc/05/80/98/375058098.db2.gz WDQNSVTZLSHGFT-KGLIPLIRSA-N 2 0 283.375 2.510 20 0 CFADRP C[NH+](C)C[C@H]1CCN(Cc2cscc2Cl)C1 ZINC000678265014 541990132 /nfs/dbraw/zinc/99/01/32/541990132.db2.gz VQLRIPGBFSUPOK-SNVBAGLBSA-N 2 0 258.818 2.785 20 0 CFADRP COCC(C)(C)C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000494041116 246745239 /nfs/dbraw/zinc/74/52/39/246745239.db2.gz ZPSDWOYYYDIKRB-UHFFFAOYSA-N 2 0 282.403 2.650 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451389 375243873 /nfs/dbraw/zinc/24/38/73/375243873.db2.gz BGISGGYGONRUKB-XHSDSOJGSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452917 375244058 /nfs/dbraw/zinc/24/40/58/375244058.db2.gz RVVJPDZAQSPMTE-KSZLIROESA-N 2 0 288.435 2.884 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000093211253 375195708 /nfs/dbraw/zinc/19/57/08/375195708.db2.gz HPBKOXZZVHLBTN-AVGNSLFASA-N 2 0 278.396 2.624 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000093488163 375253790 /nfs/dbraw/zinc/25/37/90/375253790.db2.gz DGAFJJBEHRUVHY-YESZJQIVSA-N 2 0 273.424 2.525 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488515 375253997 /nfs/dbraw/zinc/25/39/97/375253997.db2.gz XUEYCLFIVDFSFW-IXDOHACOSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488517 375254130 /nfs/dbraw/zinc/25/41/30/375254130.db2.gz XUEYCLFIVDFSFW-YESZJQIVSA-N 2 0 282.472 2.950 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2nccs2)CC1 ZINC000093405267 375230740 /nfs/dbraw/zinc/23/07/40/375230740.db2.gz YSWYHCKVLMFGPV-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2cncs2)CC1 ZINC000093688394 375297947 /nfs/dbraw/zinc/29/79/47/375297947.db2.gz SSPRSZGHGNWECB-UHFFFAOYSA-N 2 0 267.442 2.697 20 0 CFADRP C[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C[NH+]1CCCC1 ZINC000093516420 375261482 /nfs/dbraw/zinc/26/14/82/375261482.db2.gz JAMCPFPOHRVRSW-IKGGRYGDSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[NH+]1CCC(C)CC1 ZINC000093515966 375261958 /nfs/dbraw/zinc/26/19/58/375261958.db2.gz ULDZQOAXYWHPLF-DLBZAZTESA-N 2 0 281.488 2.619 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000093944542 375332237 /nfs/dbraw/zinc/33/22/37/375332237.db2.gz IPVZEMVTNVRXKF-TVFCKZIOSA-N 2 0 295.515 2.674 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093942667 375332534 /nfs/dbraw/zinc/33/25/34/375332534.db2.gz NVZLHGZTPNLKGI-GJZGRUSLSA-N 2 0 275.440 2.745 20 0 CFADRP COc1ccc([C@@H](C)[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000094010586 375335311 /nfs/dbraw/zinc/33/53/11/375335311.db2.gz TUAHHYOAKHUYMK-CYBMUJFWSA-N 2 0 262.397 2.688 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)c(F)c1)CC1CC[NH2+]CC1 ZINC000094010684 375336019 /nfs/dbraw/zinc/33/60/19/375336019.db2.gz IWCIBPSJMJETQP-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP CSc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000094070068 375338660 /nfs/dbraw/zinc/33/86/60/375338660.db2.gz PJYXZEQBFQZDGB-UHFFFAOYSA-N 2 0 294.464 2.738 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094341262 375354111 /nfs/dbraw/zinc/35/41/11/375354111.db2.gz FOPAUCKFXIXOTP-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CS1 ZINC000094472920 375363384 /nfs/dbraw/zinc/36/33/84/375363384.db2.gz ZWEGNPOPDAELQI-YPMHNXCESA-N 2 0 256.459 2.733 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2n[nH]c3ccccc32)[C@@H](C)C1 ZINC000678277677 541997998 /nfs/dbraw/zinc/99/79/98/541997998.db2.gz MXDSEENZDHNMGP-GUYCJALGSA-N 2 0 286.423 2.725 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)n1 ZINC000678425038 542025252 /nfs/dbraw/zinc/02/52/52/542025252.db2.gz UNPRCQCSPQUYCV-ZDUSSCGKSA-N 2 0 261.413 2.691 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000678599271 542049107 /nfs/dbraw/zinc/04/91/07/542049107.db2.gz XMFFCSQFLSWJIM-ZBFHGGJFSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccsc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000104096205 375766246 /nfs/dbraw/zinc/76/62/46/375766246.db2.gz WVZYSMYCWSGILV-ZDUSSCGKSA-N 2 0 252.427 2.830 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)CC3CC3)CC2)C1 ZINC000678607708 542053569 /nfs/dbraw/zinc/05/35/69/542053569.db2.gz QLDHFPZFTSHGGT-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)C1CC[NH+](C)CC1 ZINC000678609594 542054626 /nfs/dbraw/zinc/05/46/26/542054626.db2.gz ZNTDLTMBHYCATG-GUYCJALGSA-N 2 0 273.424 2.853 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCOC2CCCCC2)CC1 ZINC000111635839 375860580 /nfs/dbraw/zinc/86/05/80/375860580.db2.gz JJHAERIPFMGHAP-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH2+]C(C)C)CC2)cc1 ZINC000111725982 375867051 /nfs/dbraw/zinc/86/70/51/375867051.db2.gz KWCQJBIIEBRNFE-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000112633243 375940099 /nfs/dbraw/zinc/94/00/99/375940099.db2.gz KWTBJPIVRHVMJE-RTXFEEFZSA-N 2 0 284.325 2.918 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000645493836 383712362 /nfs/dbraw/zinc/71/23/62/383712362.db2.gz GXRAESRXYFGDSP-ZDUSSCGKSA-N 2 0 264.417 2.635 20 0 CFADRP COCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000117883850 376266139 /nfs/dbraw/zinc/26/61/39/376266139.db2.gz RRRQKOZWWJBDOU-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP CCCC1CCC(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000678844267 542082193 /nfs/dbraw/zinc/08/21/93/542082193.db2.gz WCRUMTMIZNMTPV-CKUJCDMFSA-N 2 0 250.430 2.744 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000119974631 376518586 /nfs/dbraw/zinc/51/85/86/376518586.db2.gz UWIORHQTMJENLS-CABCVRRESA-N 2 0 265.401 2.581 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000119974773 376519754 /nfs/dbraw/zinc/51/97/54/376519754.db2.gz UWIORHQTMJENLS-GJZGRUSLSA-N 2 0 265.401 2.581 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119872017 376492761 /nfs/dbraw/zinc/49/27/61/376492761.db2.gz ZHAUTRUQIWBTSH-CKEIUWERSA-N 2 0 275.440 2.571 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000121683205 376884592 /nfs/dbraw/zinc/88/45/92/376884592.db2.gz DKHXJSYOUTZBMO-BBRMVZONSA-N 2 0 280.387 2.524 20 0 CFADRP COc1ccc(C)cc1CN(C)CC[C@H]([NH3+])C(C)C ZINC000123684831 376967428 /nfs/dbraw/zinc/96/74/28/376967428.db2.gz GZDFWQCCCHOMNJ-HNNXBMFYSA-N 2 0 264.413 2.809 20 0 CFADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000124146941 377021244 /nfs/dbraw/zinc/02/12/44/377021244.db2.gz AYNJSPCVQRVOSA-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCc2ccccc2C1 ZINC000124001526 377007771 /nfs/dbraw/zinc/00/77/71/377007771.db2.gz LOBISQASZCZISR-ZWKOTPCHSA-N 2 0 272.436 2.960 20 0 CFADRP CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc2c(c1)OCO2 ZINC000124808096 377089509 /nfs/dbraw/zinc/08/95/09/377089509.db2.gz WSJWBENXCVAABK-HNNXBMFYSA-N 2 0 290.407 2.722 20 0 CFADRP CSCC[C@@H](C)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000125231516 377131268 /nfs/dbraw/zinc/13/12/68/377131268.db2.gz AWVPQNVESQJBDM-CQSZACIVSA-N 2 0 258.475 2.936 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOC1CCCC1 ZINC000125265373 377135783 /nfs/dbraw/zinc/13/57/83/377135783.db2.gz ALLBJIXBBGJXJI-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000126127682 377213930 /nfs/dbraw/zinc/21/39/30/377213930.db2.gz MBXSALGOPTZSBK-BZUAXINKSA-N 2 0 276.424 2.835 20 0 CFADRP COC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000126422116 377228895 /nfs/dbraw/zinc/22/88/95/377228895.db2.gz QGIRBUDAWBKJPA-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000126542245 377232862 /nfs/dbraw/zinc/23/28/62/377232862.db2.gz SDNFORMHVLPRFV-BLLLJJGKSA-N 2 0 290.838 2.881 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000128000374 377312142 /nfs/dbraw/zinc/31/21/42/377312142.db2.gz LFNCMWIOTUDRAC-TVFCKZIOSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000127475499 377284004 /nfs/dbraw/zinc/28/40/04/377284004.db2.gz SRVVINDDTZVPFN-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000128930538 377363720 /nfs/dbraw/zinc/36/37/20/377363720.db2.gz JEVDGDADYMYKBB-VYDXJSESSA-N 2 0 298.434 2.691 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128991162 377370667 /nfs/dbraw/zinc/37/06/67/377370667.db2.gz KYKYNYGUORZVMJ-KBPBESRZSA-N 2 0 262.397 2.796 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129084063 377380936 /nfs/dbraw/zinc/38/09/36/377380936.db2.gz GYSIIWNGEXEXEA-OCCSQVGLSA-N 2 0 262.422 2.955 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129084485 377381785 /nfs/dbraw/zinc/38/17/85/377381785.db2.gz GYSIIWNGEXEXEA-JSGCOSHPSA-N 2 0 262.422 2.955 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000129628569 377453522 /nfs/dbraw/zinc/45/35/22/377453522.db2.gz DYECFDCSDHZNJO-CVEARBPZSA-N 2 0 275.440 2.585 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000129968398 377496482 /nfs/dbraw/zinc/49/64/82/377496482.db2.gz UGHQWTWRABMPRF-UHFFFAOYSA-N 2 0 294.414 2.916 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000130280340 377531464 /nfs/dbraw/zinc/53/14/64/377531464.db2.gz VRNGJTSOPLYVSI-LZWOXQAQSA-N 2 0 276.424 2.699 20 0 CFADRP CCOc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000130564333 377578107 /nfs/dbraw/zinc/57/81/07/377578107.db2.gz YGPVMROVZDZNNT-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CSC2)c1 ZINC000679627564 542215650 /nfs/dbraw/zinc/21/56/50/542215650.db2.gz QZHZXXTWMCZXBP-UHFFFAOYSA-N 2 0 264.438 2.732 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)CC[N@@H+]1C ZINC000131549198 377727443 /nfs/dbraw/zinc/72/74/43/377727443.db2.gz KMKNOQZQMPEHNO-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000131748030 377755780 /nfs/dbraw/zinc/75/57/80/377755780.db2.gz XRZHUFUZHYHRNH-YPMHNXCESA-N 2 0 250.411 2.578 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000132237544 377819066 /nfs/dbraw/zinc/81/90/66/377819066.db2.gz KDRZRJFPBLVAGL-TZMCWYRMSA-N 2 0 274.408 2.569 20 0 CFADRP CCC(CC)[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000132300475 377825678 /nfs/dbraw/zinc/82/56/78/377825678.db2.gz OPJNAESPVDNCEG-BPQIPLTHSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000132413941 377838064 /nfs/dbraw/zinc/83/80/64/377838064.db2.gz HCJCTYQJBPTZPR-OCCSQVGLSA-N 2 0 271.364 2.511 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000132064430 377797781 /nfs/dbraw/zinc/79/77/81/377797781.db2.gz CHMGMVKPYVOKLE-GHMZBOCLSA-N 2 0 254.324 2.615 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529534246 383723532 /nfs/dbraw/zinc/72/35/32/383723532.db2.gz UDJRQOOWXPZJCO-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000134082659 377981131 /nfs/dbraw/zinc/98/11/31/377981131.db2.gz PLXKWIUAVGBSAO-XUWVNRHRSA-N 2 0 282.472 2.758 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600184 378204572 /nfs/dbraw/zinc/20/45/72/378204572.db2.gz PNGYPRMRZCTEFS-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600141 378204724 /nfs/dbraw/zinc/20/47/24/378204724.db2.gz PNGYPRMRZCTEFS-XYJFISCASA-N 2 0 290.451 2.912 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000149638336 378264935 /nfs/dbraw/zinc/26/49/35/378264935.db2.gz TWEAJVBWSQYXFO-WMLDXEAASA-N 2 0 258.409 2.914 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000149571066 378265690 /nfs/dbraw/zinc/26/56/90/378265690.db2.gz VEXKQCRUVZUWLK-YVEFUNNKSA-N 2 0 274.383 2.887 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000149637182 378265915 /nfs/dbraw/zinc/26/59/15/378265915.db2.gz UUHVCELKTOMDRL-BLLLJJGKSA-N 2 0 262.372 2.744 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000150991435 378285225 /nfs/dbraw/zinc/28/52/25/378285225.db2.gz UWLLMFIAMXVVQW-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP CN1CC[C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC000529541941 383727464 /nfs/dbraw/zinc/72/74/64/383727464.db2.gz NDTGUBDBRUYSDA-DOTOQJQBSA-N 2 0 269.392 2.694 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2nc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000151662955 378345807 /nfs/dbraw/zinc/34/58/07/378345807.db2.gz QVQRNBPUSKIMJM-DGCLKSJQSA-N 2 0 291.370 2.881 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)C)[C@H](C)C1 ZINC000151770309 378357249 /nfs/dbraw/zinc/35/72/49/378357249.db2.gz WFYWZSNSPWGWKV-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152499318 378422711 /nfs/dbraw/zinc/42/27/11/378422711.db2.gz KWUZVPSSKSJEEA-IXDOHACOSA-N 2 0 287.451 2.585 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC000154752474 378593171 /nfs/dbraw/zinc/59/31/71/378593171.db2.gz NPDUEFJPQSAVIY-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)s1 ZINC000154915638 378600979 /nfs/dbraw/zinc/60/09/79/378600979.db2.gz BKYDJJKMSJGZAB-OCCSQVGLSA-N 2 0 295.496 2.651 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000157853607 378659579 /nfs/dbraw/zinc/65/95/79/378659579.db2.gz KOLKHWUEHYWMRM-GVDBMIGSSA-N 3 0 281.488 2.713 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000157922985 378660610 /nfs/dbraw/zinc/66/06/10/378660610.db2.gz HDPKQIZTLSJHMU-OAHLLOKOSA-N 2 0 278.440 2.779 20 0 CFADRP C[N@H+](CCC[NH2+]Cc1ccc(CO)cc1)C1CCCCC1 ZINC000157925541 378661195 /nfs/dbraw/zinc/66/11/95/378661195.db2.gz SMWFSLLKVFBEPU-UHFFFAOYSA-N 2 0 290.451 2.923 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000158938541 378676889 /nfs/dbraw/zinc/67/68/89/378676889.db2.gz UZNXAVIXJWYFHN-RDJZCZTQSA-N 2 0 274.408 2.611 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331483157 378694557 /nfs/dbraw/zinc/69/45/57/378694557.db2.gz FAGFULDQBFDORK-DDTOSNHZSA-N 2 0 265.401 2.645 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000332248069 378739784 /nfs/dbraw/zinc/73/97/84/378739784.db2.gz BJZCOAHVXPIVDX-JQFCIGGWSA-N 2 0 273.424 2.753 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCc3cc(N)ccc32)CC[NH2+]1 ZINC000332374727 378754156 /nfs/dbraw/zinc/75/41/56/378754156.db2.gz RJOHLJKQKMESLE-PBFPGSCMSA-N 2 0 273.424 2.624 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161772751 378871023 /nfs/dbraw/zinc/87/10/23/378871023.db2.gz JOJRTEUKKPCMLY-OOHWJJMZSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000162906273 378941586 /nfs/dbraw/zinc/94/15/86/378941586.db2.gz WHSAPZWXLMKCBO-CRAIPNDOSA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162724408 378930044 /nfs/dbraw/zinc/93/00/44/378930044.db2.gz XSFYMUCLLFIACV-ZBFHGGJFSA-N 2 0 276.424 2.618 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000334213597 378934618 /nfs/dbraw/zinc/93/46/18/378934618.db2.gz SHTHQEJIQRLVDQ-GXTWGEPZSA-N 2 0 255.365 2.926 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000162864163 378940066 /nfs/dbraw/zinc/94/00/66/378940066.db2.gz FJEKRXOBWAJAFI-KFWWJZLASA-N 2 0 280.412 2.820 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000163245922 378960891 /nfs/dbraw/zinc/96/08/91/378960891.db2.gz YXUPIOQXFHLEOW-WCQYABFASA-N 2 0 250.411 2.578 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000163272816 378962707 /nfs/dbraw/zinc/96/27/07/378962707.db2.gz YTURZOREXXKBPV-QGZVFWFLSA-N 2 0 297.402 2.825 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163378081 378967255 /nfs/dbraw/zinc/96/72/55/378967255.db2.gz GYENHNDXVLFJOB-DZGCQCFKSA-N 2 0 262.397 2.502 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000163668639 378986682 /nfs/dbraw/zinc/98/66/82/378986682.db2.gz IQOGFGCINUVGFD-UHFFFAOYSA-N 2 0 258.768 2.911 20 0 CFADRP CC(C)c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000335268154 378994962 /nfs/dbraw/zinc/99/49/62/378994962.db2.gz CXPRQQJPIBSCDC-BETUJISGSA-N 2 0 279.453 2.698 20 0 CFADRP C[C@H]1CCN(Cc2ncc(-c3ccccc3)o2)C[C@@H]1C[NH3+] ZINC000163812065 378991086 /nfs/dbraw/zinc/99/10/86/378991086.db2.gz QBVHIFUNLFXBQF-ZFWWWQNUSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)cc(F)c1)CC[NH2+]CC2 ZINC000335278700 379015568 /nfs/dbraw/zinc/01/55/68/379015568.db2.gz NPZYAZROYGPARC-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(F)cccc1F ZINC000335282538 379023089 /nfs/dbraw/zinc/02/30/89/379023089.db2.gz ZGHJTIIXRSVFCR-SWKMLJDHSA-N 2 0 266.335 2.570 20 0 CFADRP Cc1[nH+]ccc(N2CCC3(C2)CC[NH2+]CC3)c1Cl ZINC000335299393 379043267 /nfs/dbraw/zinc/04/32/67/379043267.db2.gz PVZPRASOKSILFB-UHFFFAOYSA-N 2 0 265.788 2.623 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000165979282 379047276 /nfs/dbraw/zinc/04/72/76/379047276.db2.gz HDFWXPMFRMWQTH-WMLDXEAASA-N 2 0 294.439 2.703 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2C)[C@H](C)C1 ZINC000166884188 379064588 /nfs/dbraw/zinc/06/45/88/379064588.db2.gz RUXQPVQCXSKQGN-PBHICJAKSA-N 2 0 278.415 2.997 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000571872876 383734551 /nfs/dbraw/zinc/73/45/51/383734551.db2.gz JRPZHEJEPCWPSN-GOEBONIOSA-N 2 0 261.413 2.697 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000335374063 379183589 /nfs/dbraw/zinc/18/35/89/379183589.db2.gz WDACIANQYJAKMC-UKRRQHHQSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967689 284773754 /nfs/dbraw/zinc/77/37/54/284773754.db2.gz CGBVAXFSIRDUQB-OAGGEKHMSA-N 2 0 293.455 2.783 20 0 CFADRP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335453301 379321835 /nfs/dbraw/zinc/32/18/35/379321835.db2.gz SZARHSKZTWLJHD-MRXNPFEDSA-N 2 0 269.392 2.887 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000335441496 379301808 /nfs/dbraw/zinc/30/18/08/379301808.db2.gz CJTXFXXJNQYEFD-PXAZEXFGSA-N 2 0 295.386 2.532 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000335479129 379372777 /nfs/dbraw/zinc/37/27/77/379372777.db2.gz RKJNPRAJEGRYHJ-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCC2 ZINC000335502721 379413217 /nfs/dbraw/zinc/41/32/17/379413217.db2.gz XHIJONXLZPQFRX-MCIGGMRASA-N 2 0 279.453 2.942 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335511794 379428557 /nfs/dbraw/zinc/42/85/57/379428557.db2.gz ACFKTQDARWWNCL-XJKSGUPXSA-N 2 0 259.397 2.523 20 0 CFADRP COc1ccsc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335543056 379483440 /nfs/dbraw/zinc/48/34/40/379483440.db2.gz HIVMGBOZIVZZKJ-LBPRGKRZSA-N 2 0 280.437 2.721 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc3c[nH]nc3c1)CC[NH2+]CC2 ZINC000335543415 379484806 /nfs/dbraw/zinc/48/48/06/379484806.db2.gz KQZMEAVZLIFTBO-CYBMUJFWSA-N 2 0 284.407 2.527 20 0 CFADRP COc1ccc2oc(CN3CCC4(CC[NH2+]4)CC3)cc2c1 ZINC000334587545 379581410 /nfs/dbraw/zinc/58/14/10/379581410.db2.gz PIBKBKKZSRVQSO-UHFFFAOYSA-N 2 0 286.375 2.769 20 0 CFADRP c1cnc2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2c1 ZINC000334592026 379589568 /nfs/dbraw/zinc/58/95/68/379589568.db2.gz WGYXFOQWCIUROF-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP C[N@@H+](Cc1cc(F)ccc1F)CC1CC[NH+](C)CC1 ZINC000172534325 379590203 /nfs/dbraw/zinc/59/02/03/379590203.db2.gz XNYACCZCEMGVFN-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335634057 379633643 /nfs/dbraw/zinc/63/36/43/379633643.db2.gz LXRYAELSLQIOBS-QWHCGFSZSA-N 2 0 250.411 2.570 20 0 CFADRP C[C@@H]1CC([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H](C)C1 ZINC000335643587 379651587 /nfs/dbraw/zinc/65/15/87/379651587.db2.gz QIJMNFHFCZTLJJ-WMTDPASSSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1nc2c(s1)CCC2 ZINC000335641029 379647649 /nfs/dbraw/zinc/64/76/49/379647649.db2.gz QAHGUHNHANHCJZ-KPPDAEKUSA-N 2 0 265.426 2.552 20 0 CFADRP CC(=O)c1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000334624292 379647563 /nfs/dbraw/zinc/64/75/63/379647563.db2.gz HMENGWIPEKWAQZ-SFHVURJKSA-N 2 0 286.419 2.807 20 0 CFADRP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000335655581 379670268 /nfs/dbraw/zinc/67/02/68/379670268.db2.gz YMXKXTHHTBADRR-SJPCQFCGSA-N 2 0 285.435 2.528 20 0 CFADRP C1CCC([NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)CC1 ZINC000335805227 379917832 /nfs/dbraw/zinc/91/78/32/379917832.db2.gz UZSIVXCPLLBXRN-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cc2)n1 ZINC000335779871 379875193 /nfs/dbraw/zinc/87/51/93/379875193.db2.gz YZOXRMOCMAYQMU-FZKQIMNGSA-N 2 0 298.434 2.658 20 0 CFADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000334865376 379933754 /nfs/dbraw/zinc/93/37/54/379933754.db2.gz UAYYYARCKJWSCC-IRXDYDNUSA-N 2 0 292.398 2.544 20 0 CFADRP CC1(C)CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000335036569 379960957 /nfs/dbraw/zinc/96/09/57/379960957.db2.gz URXTYOFJJRXYHW-AQFXKWCLSA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335044271 379962330 /nfs/dbraw/zinc/96/23/30/379962330.db2.gz XXXUHRHBPSYROK-MSOLQXFVSA-N 2 0 287.451 2.905 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335217359 380023988 /nfs/dbraw/zinc/02/39/88/380023988.db2.gz MMCOPDCDOPHCFO-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000335253955 380088223 /nfs/dbraw/zinc/08/82/23/380088223.db2.gz GEGZVXLPJHCYIO-IAGOWNOFSA-N 2 0 292.467 2.677 20 0 CFADRP CCC[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432363144 383742408 /nfs/dbraw/zinc/74/24/08/383742408.db2.gz SPIQOCRIPQSZMZ-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000335917811 380104513 /nfs/dbraw/zinc/10/45/13/380104513.db2.gz PMDLANPRQYUQQL-ZIAGYGMSSA-N 2 0 279.453 2.676 20 0 CFADRP COc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000335960867 380164262 /nfs/dbraw/zinc/16/42/62/380164262.db2.gz NFIQCISQXUJDIW-QGZVFWFLSA-N 2 0 274.408 2.579 20 0 CFADRP C(C[C@H]1CCOC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000645776969 383743780 /nfs/dbraw/zinc/74/37/80/383743780.db2.gz CXIHXRXSXUMONU-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccs2)CC1 ZINC000336362923 380330304 /nfs/dbraw/zinc/33/03/04/380330304.db2.gz YNZWZLKAKAYNCL-UHFFFAOYSA-N 2 0 250.411 2.808 20 0 CFADRP C[C@H]1C[N@H+](CC2=CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336199550 380286536 /nfs/dbraw/zinc/28/65/36/380286536.db2.gz JFQFUQTWWGXVRY-INIZCTEOSA-N 2 0 291.483 2.587 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000336313435 380315202 /nfs/dbraw/zinc/31/52/02/380315202.db2.gz JLOSPDQRVABAHO-HOCLYGCPSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000177947034 380396242 /nfs/dbraw/zinc/39/62/42/380396242.db2.gz AWQSWUJNKGYDTQ-ZDUSSCGKSA-N 2 0 278.444 2.501 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000336508113 380384313 /nfs/dbraw/zinc/38/43/13/380384313.db2.gz RRZOLIKWIIRYOP-UHFFFAOYSA-N 2 0 276.428 2.524 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CCOC1 ZINC000178158313 380414777 /nfs/dbraw/zinc/41/47/77/380414777.db2.gz MJTQJPZMNSLWMH-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1Cl ZINC000336583439 380503528 /nfs/dbraw/zinc/50/35/28/380503528.db2.gz GQONHWRCDATHSC-AAEUAGOBSA-N 2 0 252.789 2.818 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCCOC)CC1 ZINC000178732026 380480006 /nfs/dbraw/zinc/48/00/06/380480006.db2.gz QGRZAWKTDATJCO-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cc(F)cc(F)c1 ZINC000336787247 380633002 /nfs/dbraw/zinc/63/30/02/380633002.db2.gz DOXCUFBHHDCOBD-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(C)C)C[C@H]1C ZINC000336701794 380598629 /nfs/dbraw/zinc/59/86/29/380598629.db2.gz GEOVPNNVOKJMET-CABCVRRESA-N 2 0 256.434 2.606 20 0 CFADRP CSC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000336725482 380615510 /nfs/dbraw/zinc/61/55/10/380615510.db2.gz VECMZEQJSFXFKB-UONOGXRCSA-N 2 0 256.459 2.546 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180104579 380619605 /nfs/dbraw/zinc/61/96/05/380619605.db2.gz OZUUFELMNCANGA-MAUKXSAKSA-N 2 0 290.451 2.786 20 0 CFADRP CC(C)n1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000180124133 380622144 /nfs/dbraw/zinc/62/21/44/380622144.db2.gz XWWCMRVPOZQSOO-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP COC(C)(C)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336805785 380663119 /nfs/dbraw/zinc/66/31/19/380663119.db2.gz QNZLILUDRNBHKZ-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cccc3nccn32)C1(C)C ZINC000180672639 380688381 /nfs/dbraw/zinc/68/83/81/380688381.db2.gz KZBDONJBZCCTSM-PBHICJAKSA-N 2 0 287.407 2.970 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2=CCCC2)CC1 ZINC000645786822 383748494 /nfs/dbraw/zinc/74/84/94/383748494.db2.gz CHQSCKWFRWTXSS-IRXDYDNUSA-N 2 0 291.483 2.587 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000180839632 380704463 /nfs/dbraw/zinc/70/44/63/380704463.db2.gz JULOURIXFWJSSI-STQMWFEESA-N 2 0 293.480 2.637 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2scnc2C)C[C@@H]1C ZINC000336801614 380655478 /nfs/dbraw/zinc/65/54/78/380655478.db2.gz QSMIKLNNOAEJGY-GXTWGEPZSA-N 2 0 281.469 2.799 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000181201784 380757245 /nfs/dbraw/zinc/75/72/45/380757245.db2.gz TXHCAKCAVIPEME-MAZHCROVSA-N 2 0 280.387 2.586 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000341169058 380812590 /nfs/dbraw/zinc/81/25/90/380812590.db2.gz HTCUCYWONBVEOY-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP C[C@@H]([NH2+]CCCCCO)c1ccc(-n2ccnc2)cc1 ZINC000181556659 380825236 /nfs/dbraw/zinc/82/52/36/380825236.db2.gz GTNUMXDGQXGEOA-CQSZACIVSA-N 2 0 273.380 2.686 20 0 CFADRP C(OC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000346998896 380863619 /nfs/dbraw/zinc/86/36/19/380863619.db2.gz YLCDVSSTVAEZAD-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[N@H+](CCC[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC000400568252 380864631 /nfs/dbraw/zinc/86/46/31/380864631.db2.gz OXPTYDIYWLIQHB-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP c1ccc(NCCC[NH2+][C@H]2CCOC3(CCC3)C2)nc1 ZINC000295455055 380865735 /nfs/dbraw/zinc/86/57/35/380865735.db2.gz QLFCMQNZWDVWPF-AWEZNQCLSA-N 2 0 275.396 2.575 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000400944701 380867504 /nfs/dbraw/zinc/86/75/04/380867504.db2.gz AIYACOQSJQOPOE-ZGMNHVEMSA-N 2 0 262.372 2.864 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401025492 380867588 /nfs/dbraw/zinc/86/75/88/380867588.db2.gz UETMAOGJOOIRCK-DRPJVOAASA-N 2 0 274.408 2.734 20 0 CFADRP Fc1ccc(C[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000347003407 380869548 /nfs/dbraw/zinc/86/95/48/380869548.db2.gz LFAUWLTVQPHSQC-CVEARBPZSA-N 2 0 276.399 2.690 20 0 CFADRP CC1CCC([N@H+](C[C@@H]2CCCO2)CC(C)(C)[NH3+])CC1 ZINC000347006413 380872036 /nfs/dbraw/zinc/87/20/36/380872036.db2.gz QDSNBJUVGTUAOS-NRXISQOPSA-N 2 0 268.445 2.783 20 0 CFADRP CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000353768361 380837907 /nfs/dbraw/zinc/83/79/07/380837907.db2.gz PIOIRYVFUSVMGA-OAHLLOKOSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@H]([NH2+]CCCCOCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400326375 380854139 /nfs/dbraw/zinc/85/41/39/380854139.db2.gz DMIUEDGMWMLSMH-RDJZCZTQSA-N 2 0 276.424 2.714 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000400362076 380856906 /nfs/dbraw/zinc/85/69/06/380856906.db2.gz CIYJLWVSXYJQCG-BPQIPLTHSA-N 2 0 289.467 2.800 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400414838 380858672 /nfs/dbraw/zinc/85/86/72/380858672.db2.gz UUPBMFONNQUETM-CRAIPNDOSA-N 2 0 289.467 2.759 20 0 CFADRP C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400429884 380860137 /nfs/dbraw/zinc/86/01/37/380860137.db2.gz BJVXIXCTQVIICE-RYQLBKOJSA-N 2 0 287.451 2.554 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000181747023 380882807 /nfs/dbraw/zinc/88/28/07/380882807.db2.gz CGDCFJFIQJDJSJ-BRWVUGGUSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000347032978 380891932 /nfs/dbraw/zinc/89/19/32/380891932.db2.gz AMMVRYYVOKEZTM-UHFFFAOYSA-N 2 0 284.407 2.508 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000347035968 380897144 /nfs/dbraw/zinc/89/71/44/380897144.db2.gz DTYMEFFFJYPXPR-ZBFHGGJFSA-N 2 0 298.434 2.944 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347039555 380899265 /nfs/dbraw/zinc/89/92/65/380899265.db2.gz JOUSLJDHQPDWJH-ZTHSPGPESA-N 2 0 274.408 2.768 20 0 CFADRP CC(C)[NH+](CC(O)C[N@@H+](C(C)C)C1CCC1)C1CCC1 ZINC000181803837 380900592 /nfs/dbraw/zinc/90/05/92/380900592.db2.gz ZNOQBMUTKKGNNO-UHFFFAOYSA-N 2 0 282.472 2.873 20 0 CFADRP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000341303144 380918537 /nfs/dbraw/zinc/91/85/37/380918537.db2.gz OMPGDYUBRWJJIF-UONOGXRCSA-N 2 0 268.445 2.533 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000358557039 380922246 /nfs/dbraw/zinc/92/22/46/380922246.db2.gz SXSVTPXHXUSWIQ-UHFFFAOYSA-N 2 0 291.439 2.809 20 0 CFADRP C[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2cccnc2)C[N@@H+]1C1CC1 ZINC000368179671 380950829 /nfs/dbraw/zinc/95/08/29/380950829.db2.gz WWVFZDMSNQFQBG-DZGCQCFKSA-N 2 0 294.402 2.603 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000347117606 380952109 /nfs/dbraw/zinc/95/21/09/380952109.db2.gz WQCIYIUTQQZJBC-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Oc3ccccc3[C@H]2C)[C@@H](C)C1 ZINC000368280535 380980108 /nfs/dbraw/zinc/98/01/08/380980108.db2.gz IWDSUVPFJPSKKK-JSSFPYSZSA-N 2 0 288.435 2.871 20 0 CFADRP CC(C)c1ncc(C[NH+]2CCC([C@H](C)[NH3+])CC2)s1 ZINC000347106698 380942562 /nfs/dbraw/zinc/94/25/62/380942562.db2.gz NLLJELFBMQBAJY-NSHDSACASA-N 2 0 267.442 2.826 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000295703261 381025755 /nfs/dbraw/zinc/02/57/55/381025755.db2.gz MLXWJPHJUCUGMV-NHYWBVRUSA-N 2 0 282.428 2.728 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000368447894 381027872 /nfs/dbraw/zinc/02/78/72/381027872.db2.gz WGJYDLNMOYWAHK-UYTYNIKBSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000368452759 381029626 /nfs/dbraw/zinc/02/96/26/381029626.db2.gz CAKGTQFIGOVPSZ-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP CO[C@@H](C)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000182119231 380993984 /nfs/dbraw/zinc/99/39/84/380993984.db2.gz LMOJHYLWDGNDBX-INIZCTEOSA-N 2 0 290.451 2.865 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(F)ncc2F)CC1 ZINC000295653475 380997235 /nfs/dbraw/zinc/99/72/35/380997235.db2.gz IXRAGJFTUAYAHE-UHFFFAOYSA-N 2 0 283.366 2.571 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCC3CCCC3)C2)C1 ZINC000368356079 381000043 /nfs/dbraw/zinc/00/00/43/381000043.db2.gz VOCDKNDAHWVHIU-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000368385041 381007955 /nfs/dbraw/zinc/00/79/55/381007955.db2.gz LGYSJTMUQGFXTK-UHFFFAOYSA-N 2 0 294.443 2.726 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCc2cnccc2C)C1 ZINC000289584615 381056414 /nfs/dbraw/zinc/05/64/14/381056414.db2.gz HOYXDCWUKKBHPU-QGZVFWFLSA-N 2 0 289.467 2.986 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000368530520 381056613 /nfs/dbraw/zinc/05/66/13/381056613.db2.gz NBBIVUGJTWMODC-IRXDYDNUSA-N 2 0 290.476 2.994 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000354077737 381062211 /nfs/dbraw/zinc/06/22/11/381062211.db2.gz HSEODFZDUHKTCB-HNNXBMFYSA-N 2 0 282.453 2.681 20 0 CFADRP C[C@@H](C[NH2+]C1CC(c2ccccn2)C1)C[NH+]1CCCC1 ZINC000368566064 381066517 /nfs/dbraw/zinc/06/65/17/381066517.db2.gz HAYXXAVCPUDBLI-FHERZECASA-N 2 0 273.424 2.649 20 0 CFADRP CC[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1nccn1C ZINC000182475520 381093444 /nfs/dbraw/zinc/09/34/44/381093444.db2.gz VXWPGELQPMQLQN-CVEARBPZSA-N 2 0 292.471 2.971 20 0 CFADRP C(CC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000368650722 381096143 /nfs/dbraw/zinc/09/61/43/381096143.db2.gz REYGMXRYMPCWTO-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000289692624 381105755 /nfs/dbraw/zinc/10/57/55/381105755.db2.gz FAQVERQXSMERTM-NXHRZFHOSA-N 2 0 290.451 2.772 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCOC1(C)C ZINC000295840084 381109424 /nfs/dbraw/zinc/10/94/24/381109424.db2.gz ALXNJUMZXUFXPH-PVAVHDDUSA-N 2 0 288.435 2.664 20 0 CFADRP CC(C)n1nccc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000354159672 381114655 /nfs/dbraw/zinc/11/46/55/381114655.db2.gz FFRNWMBFKOVCTB-UHFFFAOYSA-N 2 0 286.423 2.815 20 0 CFADRP C(C[NH+]1CCC([NH+]2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000347393480 381119824 /nfs/dbraw/zinc/11/98/24/381119824.db2.gz NUCOGMZHCGNRDR-INIZCTEOSA-N 2 0 266.429 2.506 20 0 CFADRP C[C@H](C[NH2+]CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000347333891 381077426 /nfs/dbraw/zinc/07/74/26/381077426.db2.gz QVYBASIWBYQZIC-INIZCTEOSA-N 2 0 260.425 2.941 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000354205325 381139628 /nfs/dbraw/zinc/13/96/28/381139628.db2.gz AJAWYTIBXOTFBX-YESZJQIVSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCC(F)(F)F)C[C@@H]1C ZINC000354211109 381143362 /nfs/dbraw/zinc/14/33/62/381143362.db2.gz VPOAJQZXLHEKTK-QWHCGFSZSA-N 2 0 296.377 2.760 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC000182764175 381152114 /nfs/dbraw/zinc/15/21/14/381152114.db2.gz PIHLWIWUEQDYQN-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000358932519 381162251 /nfs/dbraw/zinc/16/22/51/381162251.db2.gz JJOGGEABOFUNEJ-KRWDZBQOSA-N 2 0 298.434 2.649 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000359015847 381216848 /nfs/dbraw/zinc/21/68/48/381216848.db2.gz DSZXOARAWRMUQT-IAGOWNOFSA-N 2 0 294.483 2.804 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCC3CCOCC3)CC[C@@H]21 ZINC000369053718 381187474 /nfs/dbraw/zinc/18/74/74/381187474.db2.gz IDWQWYAGXGKJHZ-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000289868834 381195963 /nfs/dbraw/zinc/19/59/63/381195963.db2.gz RDRYFCWWFNCSMT-HIFRSBDPSA-N 2 0 296.480 2.882 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1nccn1C ZINC000183031814 381199434 /nfs/dbraw/zinc/19/94/34/381199434.db2.gz VTXGZSXHCKPWKY-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP Cc1nn(C(C)C)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369188979 381207156 /nfs/dbraw/zinc/20/71/56/381207156.db2.gz PQMXIWBBHPQMMY-MRXNPFEDSA-N 2 0 290.455 2.690 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOC3CCCCCC3)C[C@@H]21 ZINC000342087029 381210594 /nfs/dbraw/zinc/21/05/94/381210594.db2.gz PDOMRWTYTGYUMT-HYVNUMGLSA-N 2 0 280.456 2.785 20 0 CFADRP COc1cc2c(NCC[NH+]3CCCC3)cc[nH+]c2cc1F ZINC000358943690 381168917 /nfs/dbraw/zinc/16/89/17/381168917.db2.gz DSCSDWDHFOTTIF-UHFFFAOYSA-N 2 0 289.354 2.890 20 0 CFADRP CC/C=C/CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000342230107 381224588 /nfs/dbraw/zinc/22/45/88/381224588.db2.gz LYGGKXXGWVQOKQ-KXPUMZMLSA-N 2 0 268.445 2.775 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC=C(c2cccnc2)C1 ZINC000296078744 381246367 /nfs/dbraw/zinc/24/63/67/381246367.db2.gz VUBWPUFJRASCFQ-KRWDZBQOSA-N 2 0 271.408 2.655 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cccc2ccccc21 ZINC000296092480 381250786 /nfs/dbraw/zinc/25/07/86/381250786.db2.gz YEEKTSHHJSZXAS-OAHLLOKOSA-N 2 0 298.430 2.947 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000290076122 381288302 /nfs/dbraw/zinc/28/83/02/381288302.db2.gz GLXYUKMIXZLORA-CGTJXYLNSA-N 2 0 290.451 2.912 20 0 CFADRP CCCCOC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359214496 381291308 /nfs/dbraw/zinc/29/13/08/381291308.db2.gz JETDEPJCGGDXKU-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)s1 ZINC000359218635 381293641 /nfs/dbraw/zinc/29/36/41/381293641.db2.gz TZQDJXVAUBUYDP-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000183616273 381294900 /nfs/dbraw/zinc/29/49/00/381294900.db2.gz CXAHVQFBSAYKQY-MSOLQXFVSA-N 2 0 295.515 2.915 20 0 CFADRP COc1ccc(CCC[N@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359227196 381296702 /nfs/dbraw/zinc/29/67/02/381296702.db2.gz VSAVSJXTDWRCHF-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]CCC2CC[NH2+]CC2)sc1C ZINC000359224345 381296920 /nfs/dbraw/zinc/29/69/20/381296920.db2.gz SISDKIIMMBYWNM-UHFFFAOYSA-N 2 0 281.469 2.974 20 0 CFADRP c1ccc(N2CCC[N@@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359225885 381297153 /nfs/dbraw/zinc/29/71/53/381297153.db2.gz VBECAZSXJMOKRS-UHFFFAOYSA-N 2 0 287.451 2.588 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369502093 381274070 /nfs/dbraw/zinc/27/40/70/381274070.db2.gz FEKLLHWZQUMXDO-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290053506 381280320 /nfs/dbraw/zinc/28/03/20/381280320.db2.gz XFDRKSQIGQBEBS-UHFFFAOYSA-N 2 0 290.329 2.842 20 0 CFADRP Cc1noc(C)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369722438 381321013 /nfs/dbraw/zinc/32/10/13/381321013.db2.gz RTGPSVUVPWJPGY-UHFFFAOYSA-N 2 0 277.412 2.599 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000183710053 381309637 /nfs/dbraw/zinc/30/96/37/381309637.db2.gz NAUTUGIVKNTWBS-CABCVRRESA-N 2 0 298.471 2.818 20 0 CFADRP CC(C)[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccnc1 ZINC000359259870 381313444 /nfs/dbraw/zinc/31/34/44/381313444.db2.gz HQXOIWZMQOHFKI-INIZCTEOSA-N 2 0 261.413 2.854 20 0 CFADRP CC[C@H]1CN(Cc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000183753205 381315471 /nfs/dbraw/zinc/31/54/71/381315471.db2.gz LWELTVRWANWUHM-KRWDZBQOSA-N 2 0 298.434 2.517 20 0 CFADRP CCc1ccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000183778651 381319261 /nfs/dbraw/zinc/31/92/61/381319261.db2.gz HNEMFLZOTWRNPM-UHFFFAOYSA-N 2 0 296.418 2.670 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCc1cncn1C ZINC000290146983 381320634 /nfs/dbraw/zinc/32/06/34/381320634.db2.gz WHOAAVUWWNUODQ-LLVKDONJSA-N 2 0 279.334 2.934 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CCCC1 ZINC000183953115 381346038 /nfs/dbraw/zinc/34/60/38/381346038.db2.gz ACPOUUJUCCLARD-XHSDSOJGSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369881292 381346314 /nfs/dbraw/zinc/34/63/14/381346314.db2.gz FRNKDQPQFODJDT-WBVHZDCISA-N 2 0 287.451 2.506 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000296356067 381359984 /nfs/dbraw/zinc/35/99/84/381359984.db2.gz HSCBQSVRTBTFSL-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359349910 381366326 /nfs/dbraw/zinc/36/63/26/381366326.db2.gz WLKCETNDSRREJR-STQMWFEESA-N 2 0 252.427 2.671 20 0 CFADRP CC[N@H+](CCCc1ccc(C)nc1)C[C@@H](O)C(F)(F)F ZINC000354630692 381375583 /nfs/dbraw/zinc/37/55/83/381375583.db2.gz CYPDFOUFHHNCRI-CYBMUJFWSA-N 2 0 290.329 2.568 20 0 CFADRP CSC1(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000347857878 381381943 /nfs/dbraw/zinc/38/19/43/381381943.db2.gz OZAFDKLORMLYBT-ZDUSSCGKSA-N 2 0 256.459 2.688 20 0 CFADRP CCc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cn1 ZINC000347864772 381386821 /nfs/dbraw/zinc/38/68/21/381386821.db2.gz NTRXHQZCUSINMQ-WMLDXEAASA-N 2 0 275.440 2.949 20 0 CFADRP Cn1ccc(CN(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000290331483 381386989 /nfs/dbraw/zinc/38/69/89/381386989.db2.gz DSVINHMUWXKWQM-UHFFFAOYSA-N 2 0 287.407 2.715 20 0 CFADRP CCc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000347865201 381388879 /nfs/dbraw/zinc/38/88/79/381388879.db2.gz ZAIVBGZSKLDCMV-KRWDZBQOSA-N 2 0 287.451 2.952 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CCCCC2)[C@@H](C)C1 ZINC000354675681 381398987 /nfs/dbraw/zinc/39/89/87/381398987.db2.gz OUFPASKRGRUAFC-XIRDDKMYSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000290456081 381435769 /nfs/dbraw/zinc/43/57/69/381435769.db2.gz MQLMBMKXQKDWSO-CJNGLKHVSA-N 2 0 264.388 2.906 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000342629034 381442077 /nfs/dbraw/zinc/44/20/77/381442077.db2.gz RRYFBYVDNBOSDP-QGZVFWFLSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370628701 381479796 /nfs/dbraw/zinc/47/97/96/381479796.db2.gz LHLRFMXUGVKJQX-WBVHZDCISA-N 2 0 275.440 2.928 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000359576767 381481480 /nfs/dbraw/zinc/48/14/80/381481480.db2.gz FUUQIDDFJTWJLA-RDJZCZTQSA-N 2 0 276.424 2.648 20 0 CFADRP Cc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc(C)c1O ZINC000290504759 381456533 /nfs/dbraw/zinc/45/65/33/381456533.db2.gz WUAAKGIZYSJZJC-JKSUJKDBSA-N 2 0 274.408 2.535 20 0 CFADRP Cc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc(C)c1O ZINC000290504739 381456596 /nfs/dbraw/zinc/45/65/96/381456596.db2.gz WUAAKGIZYSJZJC-CVEARBPZSA-N 2 0 274.408 2.535 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(C)c1O ZINC000290514864 381459286 /nfs/dbraw/zinc/45/92/86/381459286.db2.gz XFEGWHYTPQBBID-HZPDHXFCSA-N 2 0 276.424 2.971 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000348076682 381459961 /nfs/dbraw/zinc/45/99/61/381459961.db2.gz OLMBRDOMHBPDIK-HNNXBMFYSA-N 2 0 296.455 2.524 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)O1 ZINC000296586992 381461660 /nfs/dbraw/zinc/46/16/60/381461660.db2.gz XHYIZAQOJVKBTA-JMSVASOKSA-N 2 0 289.354 2.667 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccccc2C)c1 ZINC000296601351 381467074 /nfs/dbraw/zinc/46/70/74/381467074.db2.gz YJKZBNMQSFMCBG-KRWDZBQOSA-N 2 0 297.402 2.743 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000359617724 381512162 /nfs/dbraw/zinc/51/21/62/381512162.db2.gz ILHMUGLYRUDWOJ-QGZVFWFLSA-N 2 0 278.440 2.899 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000348329794 381512330 /nfs/dbraw/zinc/51/23/30/381512330.db2.gz RKRVSKZCOMYLEM-SOUVJXGZSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000348304689 381493772 /nfs/dbraw/zinc/49/37/72/381493772.db2.gz OEWKCIBNHYILBT-NILFDRSVSA-N 2 0 298.377 2.931 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000348398865 381550708 /nfs/dbraw/zinc/55/07/08/381550708.db2.gz USIIIUKQYBSZJU-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1c(C)ccnc1C ZINC000290694205 381523760 /nfs/dbraw/zinc/52/37/60/381523760.db2.gz MXZOBSJBNISWCE-CYBMUJFWSA-N 2 0 292.427 2.940 20 0 CFADRP COC1([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000414299446 381575174 /nfs/dbraw/zinc/57/51/74/381575174.db2.gz ABTKAVYFVGZCIM-AWEZNQCLSA-N 2 0 280.456 2.941 20 0 CFADRP COCc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000355034726 381576018 /nfs/dbraw/zinc/57/60/18/381576018.db2.gz FVVGDHHYRMDOAZ-UHFFFAOYSA-N 2 0 288.435 2.893 20 0 CFADRP C[N@H+](CCC1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258540 381578426 /nfs/dbraw/zinc/57/84/26/381578426.db2.gz AYEYRKUILDFOMJ-SFHVURJKSA-N 2 0 293.499 2.667 20 0 CFADRP COCC[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000185256759 381578923 /nfs/dbraw/zinc/57/89/23/381578923.db2.gz ABKLSFYTRVJSHJ-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP Cc1cnccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297630456 381567633 /nfs/dbraw/zinc/56/76/33/381567633.db2.gz LYRPHRIFEJOOJV-UHFFFAOYSA-N 2 0 296.418 2.586 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000414190584 381568581 /nfs/dbraw/zinc/56/85/81/381568581.db2.gz RIZGDYAWFSLYBI-GOEBONIOSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@@H]1C[C@@H](CN2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414682720 381598653 /nfs/dbraw/zinc/59/86/53/381598653.db2.gz RUGMHAVDZMYAPW-AEFFLSMTSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414745788 381603034 /nfs/dbraw/zinc/60/30/34/381603034.db2.gz YIMMNKNJWZKVPL-BNOWGMLFSA-N 2 0 298.352 2.960 20 0 CFADRP FC(F)O[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000348523062 381607989 /nfs/dbraw/zinc/60/79/89/381607989.db2.gz BKFARTMGIAPONW-STQMWFEESA-N 2 0 276.371 2.612 20 0 CFADRP C(C1CCCCC1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783251 381605703 /nfs/dbraw/zinc/60/57/03/381605703.db2.gz PRTLPUKDXCUHIC-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000414800506 381605906 /nfs/dbraw/zinc/60/59/06/381605906.db2.gz KXHNCZNCBLNXQX-SQWLQELKSA-N 2 0 274.408 2.660 20 0 CFADRP COC1(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC000359748757 381593164 /nfs/dbraw/zinc/59/31/64/381593164.db2.gz OFUAODLRQSETDR-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@H](C)C1 ZINC000414816436 381608450 /nfs/dbraw/zinc/60/84/50/381608450.db2.gz WXHXVZNQQPPVHE-WBVHZDCISA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414858343 381609232 /nfs/dbraw/zinc/60/92/32/381609232.db2.gz RLMVUHCSTRIVOC-QWRGUYRKSA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414883438 381610137 /nfs/dbraw/zinc/61/01/37/381610137.db2.gz UWUBZKFYROXIGL-MNOVXSKESA-N 2 0 274.330 2.993 20 0 CFADRP CC1(C[NH2+]Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000414897124 381611220 /nfs/dbraw/zinc/61/12/20/381611220.db2.gz AVPDHOJAMXTGKX-UHFFFAOYSA-N 2 0 252.789 2.819 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCC[NH2+]C1 ZINC000414901532 381612139 /nfs/dbraw/zinc/61/21/39/381612139.db2.gz GCYUOKFVVKIYDX-CVEARBPZSA-N 2 0 278.827 2.787 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000342923312 381618758 /nfs/dbraw/zinc/61/87/58/381618758.db2.gz XUHSMUUHDWHHGA-HOTGVXAUSA-N 2 0 270.461 2.855 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000342923311 381619040 /nfs/dbraw/zinc/61/90/40/381619040.db2.gz XUHSMUUHDWHHGA-CVEARBPZSA-N 2 0 270.461 2.855 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000414930066 381619954 /nfs/dbraw/zinc/61/99/54/381619954.db2.gz SLCPUSNDSFGGMR-NEPJUHHUSA-N 2 0 288.313 2.945 20 0 CFADRP Cc1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1-c1ccccc1 ZINC000414931317 381622374 /nfs/dbraw/zinc/62/23/74/381622374.db2.gz ULPRYYBKPFIBLQ-GJZGRUSLSA-N 2 0 284.407 2.540 20 0 CFADRP CC1([NH2+]Cc2ccc(OCC(F)F)cc2)CC[NH2+]CC1 ZINC000414942104 381634545 /nfs/dbraw/zinc/63/45/45/381634545.db2.gz MEXOSYTWVZVJOZ-UHFFFAOYSA-N 2 0 284.350 2.562 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414946113 381636299 /nfs/dbraw/zinc/63/62/99/381636299.db2.gz SPPCENQBTCASDH-HNNXBMFYSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414944315 381636732 /nfs/dbraw/zinc/63/67/32/381636732.db2.gz PPBPWSXJBMVLHQ-DYVFJYSZSA-N 2 0 274.408 2.563 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc2c(s1)CCC2 ZINC000355127665 381631011 /nfs/dbraw/zinc/63/10/11/381631011.db2.gz VURPGVYZPRKWMX-SRVKXCTJSA-N 2 0 279.453 2.765 20 0 CFADRP CCC(CC)(CC)C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414940150 381632126 /nfs/dbraw/zinc/63/21/26/381632126.db2.gz HCCUHWWPHAVMBP-OAHLLOKOSA-N 2 0 256.434 2.561 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000414955001 381647600 /nfs/dbraw/zinc/64/76/00/381647600.db2.gz MHIYJMDAOQJZHP-OKZBNKHCSA-N 2 0 288.435 2.681 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414954744 381647684 /nfs/dbraw/zinc/64/76/84/381647684.db2.gz KSHNEPHRZJNUFF-BFYDXBDKSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000414948085 381638491 /nfs/dbraw/zinc/63/84/91/381638491.db2.gz XKHAKEOWHJXVAJ-XUJVJEKNSA-N 2 0 250.361 2.517 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414951179 381642818 /nfs/dbraw/zinc/64/28/18/381642818.db2.gz HCDHSUXWCFEOBS-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)CC[NH2+]1 ZINC000414952926 381644227 /nfs/dbraw/zinc/64/42/27/381644227.db2.gz RFISIOFWFPCPGV-DGCLKSJQSA-N 2 0 284.350 2.561 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000414953317 381645152 /nfs/dbraw/zinc/64/51/52/381645152.db2.gz RJNPITIGEHOQKJ-RHSMWYFYSA-N 2 0 298.434 2.626 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2cccc(C)c2)CCC[NH2+]1 ZINC000414952925 381645437 /nfs/dbraw/zinc/64/54/37/381645437.db2.gz IUUBZLYYHXBWHK-WMZOPIPTSA-N 2 0 290.451 2.674 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000414954232 381646310 /nfs/dbraw/zinc/64/63/10/381646310.db2.gz MVDPMCFRWIXHTR-ONIAQPFYSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000414963850 381660449 /nfs/dbraw/zinc/66/04/49/381660449.db2.gz DCWGPKBWDBRGBY-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414966340 381663761 /nfs/dbraw/zinc/66/37/61/381663761.db2.gz WKGOMOUPLIQJEY-XJKSGUPXSA-N 2 0 262.397 2.561 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414971028 381668182 /nfs/dbraw/zinc/66/81/82/381668182.db2.gz LCMITXUXWPAZNA-KRWDZBQOSA-N 2 0 298.434 2.803 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)ccc1SC ZINC000414975558 381671104 /nfs/dbraw/zinc/67/11/04/381671104.db2.gz OTPRZIVDKUWCOM-OAHLLOKOSA-N 2 0 294.464 2.895 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414976041 381671325 /nfs/dbraw/zinc/67/13/25/381671325.db2.gz PMWHWNAZJRJLIM-OAHLLOKOSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414958021 381651080 /nfs/dbraw/zinc/65/10/80/381651080.db2.gz CPVVXEWAWFYPEE-GHMZBOCLSA-N 2 0 252.324 2.839 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414959086 381654343 /nfs/dbraw/zinc/65/43/43/381654343.db2.gz PKCOTQZYEWQLQG-SUMWQHHRSA-N 2 0 284.403 2.936 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000415016547 381709831 /nfs/dbraw/zinc/70/98/31/381709831.db2.gz CUBROTUFHROVBE-LLVKDONJSA-N 2 0 290.329 2.845 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000415014993 381710146 /nfs/dbraw/zinc/71/01/46/381710146.db2.gz XMHKZDILHCRKSL-VWYCJHECSA-N 2 0 285.229 2.878 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(-c2cnn(C)c2)c1 ZINC000415016543 381710357 /nfs/dbraw/zinc/71/03/57/381710357.db2.gz CSXDOIQJXLRPOF-AWEZNQCLSA-N 2 0 286.423 2.613 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H](C)CCC[NH3+])cc2c1 ZINC000415015964 381710406 /nfs/dbraw/zinc/71/04/06/381710406.db2.gz BQFKQMHFVHENES-LLVKDONJSA-N 2 0 262.353 2.658 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@@H](C)CCC[NH3+])s2)o1 ZINC000415018013 381711580 /nfs/dbraw/zinc/71/15/80/381711580.db2.gz GDRUNBOYYKQTQG-JTQLQIEISA-N 2 0 279.409 2.929 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000415018499 381713073 /nfs/dbraw/zinc/71/30/73/381713073.db2.gz GUZSVHCEWQERCS-AWEZNQCLSA-N 2 0 269.392 2.966 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000415020444 381715512 /nfs/dbraw/zinc/71/55/12/381715512.db2.gz GHBAZKJJPGNHMB-WKILWMFISA-N 2 0 298.434 2.727 20 0 CFADRP COc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1OC ZINC000415020059 381715525 /nfs/dbraw/zinc/71/55/25/381715525.db2.gz GBMMLVKBSBZGLJ-HDJSIYSDSA-N 2 0 292.423 2.559 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414984255 381679079 /nfs/dbraw/zinc/67/90/79/381679079.db2.gz ACBSZSRGCDWETA-DGCLKSJQSA-N 2 0 282.815 2.956 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000355213460 381682604 /nfs/dbraw/zinc/68/26/04/381682604.db2.gz FXCRTMJXSCVVLB-CQSZACIVSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000415022397 381716466 /nfs/dbraw/zinc/71/64/66/381716466.db2.gz LPNSNZQIVOPVEH-HNNXBMFYSA-N 2 0 299.418 2.878 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC000414991125 381685000 /nfs/dbraw/zinc/68/50/00/381685000.db2.gz JBTPAEBSUXCJIJ-GWCFXTLKSA-N 2 0 254.324 2.572 20 0 CFADRP CCn1nc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000414992570 381685097 /nfs/dbraw/zinc/68/50/97/381685097.db2.gz BUODFLVAPAMQEC-UONOGXRCSA-N 2 0 286.423 2.663 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000414991786 381685178 /nfs/dbraw/zinc/68/51/78/381685178.db2.gz BDPJHSTVWYLMSI-NVXWUHKLSA-N 2 0 288.435 2.661 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414992732 381685796 /nfs/dbraw/zinc/68/57/96/381685796.db2.gz BZRNULDFZLHSAF-XBVQOTNRSA-N 2 0 258.409 2.897 20 0 CFADRP c1nc(C2CCC2)sc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000442 381690746 /nfs/dbraw/zinc/69/07/46/381690746.db2.gz BDAHIPJLGGQSQS-LSDHHAIUSA-N 2 0 291.464 2.888 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000415001148 381692631 /nfs/dbraw/zinc/69/26/31/381692631.db2.gz KPRYOLCZMNVWRN-TZMCWYRMSA-N 2 0 280.387 2.832 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000415024240 381716859 /nfs/dbraw/zinc/71/68/59/381716859.db2.gz OLZXRGIWNAQPKR-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2c1 ZINC000415002819 381695201 /nfs/dbraw/zinc/69/52/01/381695201.db2.gz DYNOXKBODHKOTD-FUHWJXTLSA-N 2 0 281.403 2.713 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC000415004980 381696502 /nfs/dbraw/zinc/69/65/02/381696502.db2.gz YOXOGLQVCHBYAW-GHMZBOCLSA-N 2 0 254.324 2.572 20 0 CFADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCO ZINC000298649073 381698255 /nfs/dbraw/zinc/69/82/55/381698255.db2.gz XIDGLVQPRQQJRC-KRWDZBQOSA-N 2 0 290.451 2.649 20 0 CFADRP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371791590 381701601 /nfs/dbraw/zinc/70/16/01/381701601.db2.gz AKUMXCBYDAUZKU-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000415008199 381702206 /nfs/dbraw/zinc/70/22/06/381702206.db2.gz CTNHOXMASVELHJ-OIISXLGYSA-N 2 0 275.440 2.587 20 0 CFADRP CSCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673073 381702707 /nfs/dbraw/zinc/70/27/07/381702707.db2.gz RMWMWRRGWZYTJR-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP CCOC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680845 381703933 /nfs/dbraw/zinc/70/39/33/381703933.db2.gz DHQXSLYMUAUQRU-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)OCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682763 381704411 /nfs/dbraw/zinc/70/44/11/381704411.db2.gz SHCRXKGLPDDEJT-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CC1CCOCC1 ZINC000415010463 381705088 /nfs/dbraw/zinc/70/50/88/381705088.db2.gz UXGYAMXIVGCKNH-IMJJTQAJSA-N 2 0 268.445 2.546 20 0 CFADRP COc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415012423 381706463 /nfs/dbraw/zinc/70/64/63/381706463.db2.gz XDADBCCFKISVJB-YCPHGPKFSA-N 2 0 276.424 2.906 20 0 CFADRP Cc1csc(N2CCC([NH2+][C@H](C)CCCC[NH3+])CC2)n1 ZINC000415013805 381707869 /nfs/dbraw/zinc/70/78/69/381707869.db2.gz KZPZMWWNTLJRIV-GFCCVEGCSA-N 2 0 296.484 2.527 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCCO1)CC1CCCCC1 ZINC000415040470 381727960 /nfs/dbraw/zinc/72/79/60/381727960.db2.gz OKFSLUYWKWPUEA-ZBFHGGJFSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000415041023 381728688 /nfs/dbraw/zinc/72/86/88/381728688.db2.gz PKADHXYGFIWEHT-NIXRBYANSA-N 2 0 266.335 2.695 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000415040315 381729067 /nfs/dbraw/zinc/72/90/67/381729067.db2.gz OYCFQGBBJZOEDH-ONGXEEELSA-N 2 0 288.313 2.644 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000415042424 381730786 /nfs/dbraw/zinc/73/07/86/381730786.db2.gz QUDBLZSORLNIGV-MFKMUULPSA-N 2 0 262.328 2.789 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H](C)C1 ZINC000415043642 381730907 /nfs/dbraw/zinc/73/09/07/381730907.db2.gz WHHDASHZTKXCLC-WMLDXEAASA-N 2 0 287.451 2.865 20 0 CFADRP Clc1cccc(Cl)c1CCC[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046982 381732490 /nfs/dbraw/zinc/73/24/90/381732490.db2.gz YFYRGSRSLOIIAB-YABSGUDNSA-N 2 0 285.218 2.733 20 0 CFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415044590 381733565 /nfs/dbraw/zinc/73/35/65/381733565.db2.gz SGZYAYXVHNCKLM-RDJZCZTQSA-N 2 0 290.451 2.711 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415051741 381736011 /nfs/dbraw/zinc/73/60/11/381736011.db2.gz ZPOJSZBWTHLGPQ-AAEUAGOBSA-N 2 0 250.361 2.605 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415049598 381736688 /nfs/dbraw/zinc/73/66/88/381736688.db2.gz DPQVYGZCZRKKFP-ZMSDIMECSA-N 2 0 260.425 2.782 20 0 CFADRP CC/C=C/CC[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000372043217 381741337 /nfs/dbraw/zinc/74/13/37/381741337.db2.gz NATUQKUECRPWCG-AATRIKPKSA-N 2 0 293.499 2.835 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000360040234 381745324 /nfs/dbraw/zinc/74/53/24/381745324.db2.gz SOKISCXAPISPPD-FGTMMUONSA-N 2 0 295.515 2.673 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360044003 381747051 /nfs/dbraw/zinc/74/70/51/381747051.db2.gz AVZDNMMNOGKUAG-GUYCJALGSA-N 2 0 286.419 2.756 20 0 CFADRP Fc1ccc(C[NH2+]CCC[NH2+]C2CC2)c2ncccc12 ZINC000415064595 381748781 /nfs/dbraw/zinc/74/87/81/381748781.db2.gz CXVTZKJZEXCUPH-UHFFFAOYSA-N 2 0 273.355 2.606 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2ncccc2c1 ZINC000415064903 381750968 /nfs/dbraw/zinc/75/09/68/381750968.db2.gz QQVBNQNKELNFHV-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP c1ccc(OCCCCC[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415072804 381759562 /nfs/dbraw/zinc/75/95/62/381759562.db2.gz MWOZHPDONCICSO-INIZCTEOSA-N 2 0 276.424 2.967 20 0 CFADRP c1cc(C[NH2+]CCC[NH2+]C2CC2)cc(-c2ccncc2)c1 ZINC000415070943 381756648 /nfs/dbraw/zinc/75/66/48/381756648.db2.gz RSZVHMDQQKEWBI-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP c1ccc([C@H]2CCCC[C@@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000415071281 381757174 /nfs/dbraw/zinc/75/71/74/381757174.db2.gz ZBHHVDUMFFPAHK-IGKNDFSCSA-N 2 0 270.420 2.910 20 0 CFADRP C[C@H]([NH2+]CCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298826613 381757434 /nfs/dbraw/zinc/75/74/34/381757434.db2.gz GQCDZSAHHHWPBN-JKSUJKDBSA-N 2 0 287.451 2.867 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000415024620 381718348 /nfs/dbraw/zinc/71/83/48/381718348.db2.gz PGNDAZIDVCRSJM-LBPRGKRZSA-N 2 0 262.397 2.617 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000415025978 381718428 /nfs/dbraw/zinc/71/84/28/381718428.db2.gz SIEHPJOBGDPTQC-LLVKDONJSA-N 2 0 292.814 2.947 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(Cl)c1 ZINC000415024936 381718537 /nfs/dbraw/zinc/71/85/37/381718537.db2.gz PWDBVAKBRXODEW-SNVBAGLBSA-N 2 0 256.777 2.566 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000415027409 381719801 /nfs/dbraw/zinc/71/98/01/381719801.db2.gz WQIHVOLSOLSRAF-RYUDHWBXSA-N 2 0 297.830 2.774 20 0 CFADRP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415029729 381721351 /nfs/dbraw/zinc/72/13/51/381721351.db2.gz BIYCNMMUJGSIIX-MSOLQXFVSA-N 2 0 290.451 2.756 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1OC(C)C ZINC000415033615 381722901 /nfs/dbraw/zinc/72/29/01/381722901.db2.gz IYRBHWFDAMWMNR-ZFWWWQNUSA-N 2 0 292.423 2.699 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415035038 381724585 /nfs/dbraw/zinc/72/45/85/381724585.db2.gz KJVCLVBDPILOIR-WCQYABFASA-N 2 0 282.815 2.956 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000415035352 381725186 /nfs/dbraw/zinc/72/51/86/381725186.db2.gz IQLYCKRQEXUREK-MRXNPFEDSA-N 2 0 276.424 2.966 20 0 CFADRP Cc1cnc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000185763613 381725919 /nfs/dbraw/zinc/72/59/19/381725919.db2.gz LFCYLJDUQOASHK-KGLIPLIRSA-N 2 0 277.412 2.726 20 0 CFADRP C[N@H+](CCc1cccc(F)c1F)C[C@H]1CCC[NH+](C)C1 ZINC000343546137 381788454 /nfs/dbraw/zinc/78/84/54/381788454.db2.gz FNXYGUQBJFBEBU-ZDUSSCGKSA-N 2 0 282.378 2.781 20 0 CFADRP CCC[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000415117517 381790019 /nfs/dbraw/zinc/79/00/19/381790019.db2.gz ZMLQGLJZZZQBDX-DLBZAZTESA-N 2 0 276.424 2.620 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415116846 381790768 /nfs/dbraw/zinc/79/07/68/381790768.db2.gz WJXDPRKVEFYZDY-ZBFHGGJFSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000372338941 381793596 /nfs/dbraw/zinc/79/35/96/381793596.db2.gz SOEBUIDHTMVUMV-XOYOTBSWSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]1CC[N@H+](CCSCc2ccccc2)C[C@@H]1C[NH3+] ZINC000415125370 381795012 /nfs/dbraw/zinc/79/50/12/381795012.db2.gz LARGPAFAKVHNOT-ZBFHGGJFSA-N 2 0 278.465 2.837 20 0 CFADRP Cc1ccc(NC[C@H]2CC[NH2+][C@@H](C)C2)c(C[NH+](C)C)c1 ZINC000415128001 381796395 /nfs/dbraw/zinc/79/63/95/381796395.db2.gz WZWJVGIGUYXUOF-GJZGRUSLSA-N 2 0 275.440 2.857 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000415074755 381760644 /nfs/dbraw/zinc/76/06/44/381760644.db2.gz ASPDTAMWFSYUAX-ZACQAIPSSA-N 2 0 287.451 2.633 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H](C)Cc1cccs1 ZINC000415078191 381762826 /nfs/dbraw/zinc/76/28/26/381762826.db2.gz FWVIOZCNQYULGJ-CHWSQXEVSA-N 2 0 254.443 2.890 20 0 CFADRP COc1cc(CC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1C ZINC000415078933 381763803 /nfs/dbraw/zinc/76/38/03/381763803.db2.gz HIQSZGXAOITSFC-GDBMZVCRSA-N 2 0 276.424 2.524 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC[N@@H+]2C1 ZINC000360985656 381799207 /nfs/dbraw/zinc/79/92/07/381799207.db2.gz HZQOQQBAERTRAY-DISONHOPSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415081153 381765015 /nfs/dbraw/zinc/76/50/15/381765015.db2.gz KGYCDNKYMPMDHV-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000415081436 381766142 /nfs/dbraw/zinc/76/61/42/381766142.db2.gz BWMSXEKJMWWJFF-RDJZCZTQSA-N 2 0 260.425 2.966 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1c(C)noc1C ZINC000415083007 381767491 /nfs/dbraw/zinc/76/74/91/381767491.db2.gz DTSXTLSSLDWOMW-GDLCADMTSA-N 2 0 265.401 2.720 20 0 CFADRP COc1ccc(CCC[NH2+]C[C@H]([NH3+])CC(C)C)cc1OC ZINC000415081546 381767521 /nfs/dbraw/zinc/76/75/21/381767521.db2.gz KRXZYILDAWXQEC-OAHLLOKOSA-N 2 0 294.439 2.599 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000415084652 381769348 /nfs/dbraw/zinc/76/93/48/381769348.db2.gz HFBMQDKXNAPXEB-QGZVFWFLSA-N 2 0 298.434 2.721 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC(C)CC1 ZINC000355425751 381769665 /nfs/dbraw/zinc/76/96/65/381769665.db2.gz PMSNSNSFYZYHOK-JCCCHCCOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CCc2ccccc2Cl)CC[NH2+]1 ZINC000415084319 381769906 /nfs/dbraw/zinc/76/99/06/381769906.db2.gz GUVSOBXDBMHVSU-STQMWFEESA-N 2 0 266.816 2.860 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415085131 381771962 /nfs/dbraw/zinc/77/19/62/381771962.db2.gz HYBZWYWVMIFGGY-KRWDZBQOSA-N 2 0 260.425 2.862 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000415086379 381772039 /nfs/dbraw/zinc/77/20/39/381772039.db2.gz SCQLOBXNDSFMNC-UHFFFAOYSA-N 3 0 281.488 2.604 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415087757 381773847 /nfs/dbraw/zinc/77/38/47/381773847.db2.gz WQVQOHWCWDIGSL-HOTGVXAUSA-N 2 0 276.424 2.742 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415089557 381775170 /nfs/dbraw/zinc/77/51/70/381775170.db2.gz YWOBMPCCPNJTNI-AVGNSLFASA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@]1(C[NH2+]CCc2ccccc2C(F)(F)F)CC[NH2+]C1 ZINC000415089644 381775972 /nfs/dbraw/zinc/77/59/72/381775972.db2.gz ZCLZWDAUTKKMCD-AWEZNQCLSA-N 2 0 286.341 2.837 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415090796 381776614 /nfs/dbraw/zinc/77/66/14/381776614.db2.gz ZPDQIGDMGFYJPT-FUHWJXTLSA-N 3 0 295.515 2.865 20 0 CFADRP Fc1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000415090915 381777559 /nfs/dbraw/zinc/77/75/59/381777559.db2.gz PQQUUBMMGIOCFN-NSHDSACASA-N 2 0 270.779 2.611 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415093609 381778683 /nfs/dbraw/zinc/77/86/83/381778683.db2.gz VWVPSRFOXIUCHW-IHRRRGAJSA-N 2 0 262.397 2.734 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000415093276 381779381 /nfs/dbraw/zinc/77/93/81/381779381.db2.gz UZUGNRPBGYTLGU-UHFFFAOYSA-N 2 0 266.816 2.990 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000415094678 381779965 /nfs/dbraw/zinc/77/99/65/381779965.db2.gz XQLCFZNKEHKKLY-OUCADQQQSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000415100797 381780857 /nfs/dbraw/zinc/78/08/57/381780857.db2.gz ICYUAXSWFCGLQX-XHBSWPGZSA-N 2 0 262.372 2.933 20 0 CFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(OC)CCCC1 ZINC000361549521 381842820 /nfs/dbraw/zinc/84/28/20/381842820.db2.gz AGEIZNYEXBRJQJ-CABCVRRESA-N 2 0 266.429 2.504 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000415135097 381801228 /nfs/dbraw/zinc/80/12/28/381801228.db2.gz PRNXKVMTUSQSIS-UHFFFAOYSA-N 2 0 269.392 2.790 20 0 CFADRP NC1(C[NH2+]C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133225 381801311 /nfs/dbraw/zinc/80/13/11/381801311.db2.gz MSGOPSYLRYPWDI-UHFFFAOYSA-N 2 0 287.451 2.512 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]1C[NH3+] ZINC000415136550 381801961 /nfs/dbraw/zinc/80/19/61/381801961.db2.gz XFZUSMYYSTZPJF-NEPJUHHUSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000415139440 381802625 /nfs/dbraw/zinc/80/26/25/381802625.db2.gz ZQXUKBXSTSHULT-MZSZDEQASA-N 2 0 262.372 2.756 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000372393209 381803703 /nfs/dbraw/zinc/80/37/03/381803703.db2.gz QFGCWORUAJDUBG-IKGGRYGDSA-N 2 0 293.499 2.571 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](CC3=CCCOC3)CC2)CC1 ZINC000372391935 381804146 /nfs/dbraw/zinc/80/41/46/381804146.db2.gz QFBJYQIZJJMUDU-UHFFFAOYSA-N 2 0 292.467 2.777 20 0 CFADRP CCC[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000356346975 381843921 /nfs/dbraw/zinc/84/39/21/381843921.db2.gz ZMRQMALACIOXPY-SOUVJXGZSA-N 2 0 256.434 2.702 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCc1ccccn1)CC2)C1CC1 ZINC000372841006 381879070 /nfs/dbraw/zinc/87/90/70/381879070.db2.gz LWGSTVKABWBGEV-INIZCTEOSA-N 2 0 299.462 2.820 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356875533 381879900 /nfs/dbraw/zinc/87/99/00/381879900.db2.gz QZDWIRJRCQCDPC-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324247 381881054 /nfs/dbraw/zinc/88/10/54/381881054.db2.gz CAPLEAZSACZQJG-LAQRGFTBSA-N 2 0 289.467 2.750 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324232 381882212 /nfs/dbraw/zinc/88/22/12/381882212.db2.gz CAPLEAZSACZQJG-FZCLSBEQSA-N 2 0 289.467 2.750 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1(C)C ZINC000361672231 381855900 /nfs/dbraw/zinc/85/59/00/381855900.db2.gz FLVJIXDQWIZISN-DGADGQDISA-N 2 0 282.472 2.897 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361676491 381856073 /nfs/dbraw/zinc/85/60/73/381856073.db2.gz ZGQHQKDEUSLZPR-BDXSIMOUSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356779818 381866096 /nfs/dbraw/zinc/86/60/96/381866096.db2.gz IHJIXLNPNXZEET-HZMBPMFUSA-N 2 0 286.341 2.576 20 0 CFADRP Cc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc[nH+]1 ZINC000343648832 381868208 /nfs/dbraw/zinc/86/82/08/381868208.db2.gz MLYLRLSOKOXQCX-GOSISDBHSA-N 2 0 281.403 2.753 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)(C)C ZINC000343653613 381870342 /nfs/dbraw/zinc/87/03/42/381870342.db2.gz DJHDWOBZPUHINJ-JYJNAYRXSA-N 2 0 282.472 2.779 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000372993738 381906446 /nfs/dbraw/zinc/90/64/46/381906446.db2.gz VRJQPMMOCRVCCK-GJZGRUSLSA-N 2 0 279.428 2.920 20 0 CFADRP Cc1ccncc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292944199 381914671 /nfs/dbraw/zinc/91/46/71/381914671.db2.gz IAPNXZUZYMVMKB-UHFFFAOYSA-N 2 0 261.413 2.746 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349322961 381890291 /nfs/dbraw/zinc/89/02/91/381890291.db2.gz ZFRDNHWQJQZRDK-MSOLQXFVSA-N 2 0 293.499 2.548 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cnc2cccc(C)n12 ZINC000349416194 381931749 /nfs/dbraw/zinc/93/17/49/381931749.db2.gz KGBYPWDMORJBGH-UHFFFAOYSA-N 2 0 288.439 2.806 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000356992706 381949652 /nfs/dbraw/zinc/94/96/52/381949652.db2.gz NLDPBPSBTXKMSN-GVDBMIGSSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000186573872 381951791 /nfs/dbraw/zinc/95/17/91/381951791.db2.gz YDIYJUYRBOHMBA-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CCOCC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357088349 382002868 /nfs/dbraw/zinc/00/28/68/382002868.db2.gz RYZDAINCFYTADB-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP Fc1ccccc1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357087360 382002965 /nfs/dbraw/zinc/00/29/65/382002965.db2.gz NEVWGHAEEOHVHA-OAHLLOKOSA-N 2 0 292.398 2.526 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCOCC[NH3+])cc1 ZINC000357085028 382003280 /nfs/dbraw/zinc/00/32/80/382003280.db2.gz QEAPYLHXIMNSRL-IRXDYDNUSA-N 2 0 276.424 2.538 20 0 CFADRP Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc[nH+]1 ZINC000373447368 382007577 /nfs/dbraw/zinc/00/75/77/382007577.db2.gz IWIPLRQUJYSGHI-AWEZNQCLSA-N 2 0 259.397 2.843 20 0 CFADRP CSCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000186770575 382008383 /nfs/dbraw/zinc/00/83/83/382008383.db2.gz FILRSYHTNUACMI-HZSPNIEDSA-N 2 0 258.475 2.838 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCCCSC)CC1 ZINC000186777433 382010300 /nfs/dbraw/zinc/01/03/00/382010300.db2.gz YUDUNVPVCIYBPO-UHFFFAOYSA-N 2 0 258.475 2.984 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@H]1CCSC1 ZINC000373299162 381974649 /nfs/dbraw/zinc/97/46/49/381974649.db2.gz MIMUAYRIJRZTJG-OAHLLOKOSA-N 2 0 282.497 2.984 20 0 CFADRP [NH3+]CCOCC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000357028612 381975997 /nfs/dbraw/zinc/97/59/97/381975997.db2.gz LZSKWCKROKQMGF-LJQANCHMSA-N 2 0 296.414 2.609 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)C1CCCCC1 ZINC000349670718 381983436 /nfs/dbraw/zinc/98/34/36/381983436.db2.gz VPHVFZQZCLDYRM-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343979033 382045682 /nfs/dbraw/zinc/04/56/82/382045682.db2.gz IPTDZZCXZDZKQI-HOCLYGCPSA-N 2 0 291.439 2.690 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCn1ccnc1 ZINC000186926808 382047478 /nfs/dbraw/zinc/04/74/78/382047478.db2.gz QNXQHQGWDBECLW-MRXNPFEDSA-N 2 0 257.381 2.740 20 0 CFADRP Cc1ccc(OCCCN2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000299924158 382052329 /nfs/dbraw/zinc/05/23/29/382052329.db2.gz UQXDRPOAOMEGJB-FUHWJXTLSA-N 2 0 288.435 2.756 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000300425437 382064693 /nfs/dbraw/zinc/06/46/93/382064693.db2.gz YMWHKTQHYHBHSB-BZUAXINKSA-N 2 0 270.461 2.615 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccccc43)C[C@@H]21 ZINC000375047990 382065989 /nfs/dbraw/zinc/06/59/89/382065989.db2.gz GHNXQUBNUUSEMW-GUYCJALGSA-N 2 0 267.376 2.765 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000357118784 382017246 /nfs/dbraw/zinc/01/72/46/382017246.db2.gz IYUGGAMPXKTKGV-OAHLLOKOSA-N 2 0 297.487 2.535 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000343927886 382024669 /nfs/dbraw/zinc/02/46/69/382024669.db2.gz JZUYXWKHSUOKGI-OAHLLOKOSA-N 2 0 269.477 2.569 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1(C)CC1 ZINC000343941421 382029838 /nfs/dbraw/zinc/02/98/38/382029838.db2.gz TVTDHZLQARCRQM-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](CCC)CC1 ZINC000343944125 382032166 /nfs/dbraw/zinc/03/21/66/382032166.db2.gz VQGGAVDZLUBGET-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000163004551 542293839 /nfs/dbraw/zinc/29/38/39/542293839.db2.gz ZOGKLFIRZHZYDA-GFCCVEGCSA-N 2 0 282.378 2.827 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000417308138 382035507 /nfs/dbraw/zinc/03/55/07/382035507.db2.gz FKGFCDRPENRFAI-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@@H]1OC ZINC000344073021 382108221 /nfs/dbraw/zinc/10/82/21/382108221.db2.gz CJGGVHUMNVSGAN-CABCVRRESA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375852659 382108567 /nfs/dbraw/zinc/10/85/67/382108567.db2.gz OEGNUKCIENBHEC-ZNMIVQPWSA-N 2 0 270.486 2.838 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000344027360 382076800 /nfs/dbraw/zinc/07/68/00/382076800.db2.gz VISJMNWFINBSMR-QLFBSQMISA-N 2 0 270.461 2.900 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351937517 382078372 /nfs/dbraw/zinc/07/83/72/382078372.db2.gz OJEAKEQXMPICTQ-MRXNPFEDSA-N 2 0 296.455 2.528 20 0 CFADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000375344228 382081806 /nfs/dbraw/zinc/08/18/06/382081806.db2.gz CBKKGOZQORMCPM-DAXOMENPSA-N 2 0 292.398 2.969 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293349173 382087695 /nfs/dbraw/zinc/08/76/95/382087695.db2.gz GWKAJUMACFROGV-KGLIPLIRSA-N 2 0 264.413 2.934 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000362470724 382087797 /nfs/dbraw/zinc/08/77/97/382087797.db2.gz XGSKMLYLCREGMH-UHFFFAOYSA-N 2 0 291.370 2.741 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CC1(C)C ZINC000344102623 382130647 /nfs/dbraw/zinc/13/06/47/382130647.db2.gz GMANPQUQATVJIO-CQSZACIVSA-N 2 0 270.380 2.711 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000344109198 382132814 /nfs/dbraw/zinc/13/28/14/382132814.db2.gz LQPDHMKGODNEMX-UONOGXRCSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000376546685 382142497 /nfs/dbraw/zinc/14/24/97/382142497.db2.gz DLQVZZQOGVHAIT-OIISXLGYSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000352040550 382145151 /nfs/dbraw/zinc/14/51/51/382145151.db2.gz PJMDYSDLQMVPET-WBVHZDCISA-N 2 0 282.472 2.900 20 0 CFADRP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000376559981 382148000 /nfs/dbraw/zinc/14/80/00/382148000.db2.gz BHCUIAPPOMSUFU-GOEBONIOSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNCc2conc2C)c1 ZINC000293535026 382162136 /nfs/dbraw/zinc/16/21/36/382162136.db2.gz JRVXCUAMZVRFDF-UHFFFAOYSA-N 2 0 273.380 2.725 20 0 CFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccs1 ZINC000344160036 382168975 /nfs/dbraw/zinc/16/89/75/382168975.db2.gz WUKXGVYIJCEXTF-UHFFFAOYSA-N 2 0 295.496 2.598 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1C ZINC000293616244 382197748 /nfs/dbraw/zinc/19/77/48/382197748.db2.gz JJOLIODSZRFVEA-TZMCWYRMSA-N 2 0 264.413 2.852 20 0 CFADRP Cc1cc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000301920089 382200878 /nfs/dbraw/zinc/20/08/78/382200878.db2.gz KKDOQGLQNIHZQH-UHFFFAOYSA-N 2 0 297.406 2.533 20 0 CFADRP Cc1[nH+]ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1Cl ZINC000357523103 382205883 /nfs/dbraw/zinc/20/58/83/382205883.db2.gz GUPPKRFHDMGIJN-GXSJLCMTSA-N 2 0 265.788 2.502 20 0 CFADRP CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362705772 382206373 /nfs/dbraw/zinc/20/63/73/382206373.db2.gz ZIVJCOWTSHFPQF-SJORKVTESA-N 2 0 281.488 2.525 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000362862929 382220524 /nfs/dbraw/zinc/22/05/24/382220524.db2.gz SQVSUZZCSHQXTN-AWEZNQCLSA-N 2 0 267.376 2.909 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789737 296327502 /nfs/dbraw/zinc/32/75/02/296327502.db2.gz YQUHEVJNXUUSMB-BZUAXINKSA-N 2 0 280.456 2.500 20 0 CFADRP CCCc1cc(N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000301786970 382192943 /nfs/dbraw/zinc/19/29/43/382192943.db2.gz MFHSLLROTJUUGP-UHFFFAOYSA-N 2 0 269.392 2.939 20 0 CFADRP C[C@@H]([NH2+]CCCc1nc2ccccc2n1C)[C@@H]1CCCO1 ZINC000680343960 542307528 /nfs/dbraw/zinc/30/75/28/542307528.db2.gz CDOOSTBZPWEWGD-CJNGLKHVSA-N 2 0 287.407 2.663 20 0 CFADRP OCCC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC000363759482 382244433 /nfs/dbraw/zinc/24/44/33/382244433.db2.gz MXLOSKYZFXTEEB-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000187707829 382253074 /nfs/dbraw/zinc/25/30/74/382253074.db2.gz IXAGDZKYGLJXLF-GOEBONIOSA-N 2 0 295.496 2.815 20 0 CFADRP CO[C@@H](CC(C)C)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000419230297 382253419 /nfs/dbraw/zinc/25/34/19/382253419.db2.gz PQUZSUKFOCSTTK-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000352273529 382258079 /nfs/dbraw/zinc/25/80/79/382258079.db2.gz NVYQWNKTMVXTGR-HOCLYGCPSA-N 2 0 276.424 2.645 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@H](C)C1 ZINC000345219522 382291033 /nfs/dbraw/zinc/29/10/33/382291033.db2.gz PZIZOPCRIAHSNK-NCOADZHNSA-N 2 0 281.488 2.569 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293759900 382267850 /nfs/dbraw/zinc/26/78/50/382267850.db2.gz RYMRMVCYXKTZDE-QWHCGFSZSA-N 2 0 250.386 2.544 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419375071 382302729 /nfs/dbraw/zinc/30/27/29/382302729.db2.gz PWZBROBLTTXFPH-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP CN(Cc1cnn(C(C)(C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377633646 382307215 /nfs/dbraw/zinc/30/72/15/382307215.db2.gz XRJHBHSAAXMOHV-XYPWUTKMSA-N 2 0 290.455 2.695 20 0 CFADRP Cc1ccncc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698274 382323351 /nfs/dbraw/zinc/32/33/51/382323351.db2.gz LRULZLMKJHROLL-UHFFFAOYSA-N 2 0 296.418 2.886 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCc2sccc21)C[NH+](C)C ZINC000293896648 382326596 /nfs/dbraw/zinc/32/65/96/382326596.db2.gz ZKNOJVXKVRPNJG-AAEUAGOBSA-N 2 0 252.427 2.913 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCc2sccc21)C[NH+](C)C ZINC000293896668 382326710 /nfs/dbraw/zinc/32/67/10/382326710.db2.gz ZKNOJVXKVRPNJG-WCQYABFASA-N 2 0 252.427 2.913 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)(C)O ZINC000357806590 382331433 /nfs/dbraw/zinc/33/14/33/382331433.db2.gz NEKQFRKIZZEBHK-CQSZACIVSA-N 2 0 270.461 2.634 20 0 CFADRP Cc1ccc(C[C@@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420294576 382345817 /nfs/dbraw/zinc/34/58/17/382345817.db2.gz BHHTXGLIMLSGKK-NVXWUHKLSA-N 2 0 260.425 2.857 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCc1ccsc1 ZINC000420282742 382339905 /nfs/dbraw/zinc/33/99/05/382339905.db2.gz BJCFEHBMCQCFLY-AWEZNQCLSA-N 2 0 254.443 2.986 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420294135 382346248 /nfs/dbraw/zinc/34/62/48/382346248.db2.gz AQKGRZUYPZDNNS-HZPDHXFCSA-N 2 0 288.435 2.874 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420282745 382340384 /nfs/dbraw/zinc/34/03/84/382340384.db2.gz BJHPDFFPEAVKBQ-OLZOCXBDSA-N 2 0 264.438 2.968 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@]2(CCCCO2)C1 ZINC000364619951 382341796 /nfs/dbraw/zinc/34/17/96/382341796.db2.gz SJCNCWHBBFHQOT-IAGOWNOFSA-N 2 0 280.456 2.896 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)c2c[nH+]ccc2N)c1 ZINC000188080068 382341709 /nfs/dbraw/zinc/34/17/09/382341709.db2.gz YHCMOOWFUDGHFS-UHFFFAOYSA-N 2 0 298.390 2.758 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH+](C)C ZINC000188093845 382343377 /nfs/dbraw/zinc/34/33/77/382343377.db2.gz HHSHWBPMUKPGCT-GFCCVEGCSA-N 2 0 299.256 2.921 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000377589980 382298060 /nfs/dbraw/zinc/29/80/60/382298060.db2.gz VUHNBFVWCLYIFC-DZJNRPSUSA-N 2 0 288.435 2.979 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)c(F)c1)CC(C)(C)C[NH3+] ZINC000420289669 382343698 /nfs/dbraw/zinc/34/36/98/382343698.db2.gz KPXRMPVQXDSDCW-UHFFFAOYSA-N 2 0 288.794 2.775 20 0 CFADRP Fc1cccc(C[C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420298387 382349049 /nfs/dbraw/zinc/34/90/49/382349049.db2.gz FCPFCQBJIUGSSE-WMLDXEAASA-N 2 0 276.399 2.832 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000420297741 382349290 /nfs/dbraw/zinc/34/92/90/382349290.db2.gz DKAOXAAXLGTVKY-AWEZNQCLSA-N 2 0 288.794 2.821 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420298627 382350199 /nfs/dbraw/zinc/35/01/99/382350199.db2.gz FKXOPMKXOMVGTN-WBVHZDCISA-N 2 0 276.399 2.832 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc2ccccc2o1 ZINC000420302081 382352256 /nfs/dbraw/zinc/35/22/56/382352256.db2.gz LZMALCNCZYMNDL-ZDUSSCGKSA-N 2 0 258.365 2.864 20 0 CFADRP CC[N@H+](CCOc1cccc(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420303184 382353229 /nfs/dbraw/zinc/35/32/29/382353229.db2.gz CFOHRAOQCKQGKF-OAHLLOKOSA-N 2 0 292.423 2.538 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3ccsc3)C[C@H]21 ZINC000420302408 382353808 /nfs/dbraw/zinc/35/38/08/382353808.db2.gz FYPCKDHCDXLFQS-RBSFLKMASA-N 2 0 264.438 2.740 20 0 CFADRP COc1cccc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420304504 382354087 /nfs/dbraw/zinc/35/40/87/382354087.db2.gz OQSSTBSGTDIBCN-OAHLLOKOSA-N 2 0 288.435 2.874 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420305271 382356411 /nfs/dbraw/zinc/35/64/11/382356411.db2.gz JZCCFSHUCJDIQP-UHFFFAOYSA-N 2 0 288.435 2.703 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000420311397 382359911 /nfs/dbraw/zinc/35/99/11/382359911.db2.gz GZSASTGFKXGKAA-QWRGUYRKSA-N 2 0 286.778 2.527 20 0 CFADRP Cc1csc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420311344 382360854 /nfs/dbraw/zinc/36/08/54/382360854.db2.gz GYFJCDUWJDZCNC-KGLIPLIRSA-N 2 0 279.453 2.631 20 0 CFADRP CC[C@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CCS1 ZINC000420314111 382362821 /nfs/dbraw/zinc/36/28/21/382362821.db2.gz YTUGOXXFDMGMHT-ZBFHGGJFSA-N 2 0 294.464 2.565 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000420318113 382363856 /nfs/dbraw/zinc/36/38/56/382363856.db2.gz PIWHPHPLVGGHLD-KURKYZTESA-N 2 0 288.435 2.620 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420316534 382364858 /nfs/dbraw/zinc/36/48/58/382364858.db2.gz YIIYUEITFBLVOJ-GHJWDPDVSA-N 2 0 262.372 2.872 20 0 CFADRP CC[N@@H+](CCc1cccs1)CC[C@@H]1CC[NH2+]C1 ZINC000420319305 382366148 /nfs/dbraw/zinc/36/61/48/382366148.db2.gz PEEWRUMEECSPGA-ZDUSSCGKSA-N 2 0 252.427 2.612 20 0 CFADRP CC[C@@](C)([NH2+]CC[C@@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000420321351 382366896 /nfs/dbraw/zinc/36/68/96/382366896.db2.gz RAVCBHBCGFVUMJ-GXTWGEPZSA-N 2 0 267.442 2.666 20 0 CFADRP CC[C@](C)([NH2+]CC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000420322265 382368768 /nfs/dbraw/zinc/36/87/68/382368768.db2.gz SKBUKMWCBGSBFW-OCCSQVGLSA-N 2 0 267.442 2.748 20 0 CFADRP Nc1cccc(C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352503019 382369357 /nfs/dbraw/zinc/36/93/57/382369357.db2.gz AZTZHDYFETXLAE-UHFFFAOYSA-N 2 0 261.413 2.610 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420327801 382371264 /nfs/dbraw/zinc/37/12/64/382371264.db2.gz YTPLGKHSLLBKMH-STQMWFEESA-N 2 0 250.411 2.885 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000420339912 382375840 /nfs/dbraw/zinc/37/58/40/382375840.db2.gz ZJFFOXOXXSEXDD-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)CC2 ZINC000420347873 382376883 /nfs/dbraw/zinc/37/68/83/382376883.db2.gz ZQEJOLJHKMTOHR-JKIFEVAISA-N 2 0 274.383 2.744 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344480 382377321 /nfs/dbraw/zinc/37/73/21/382377321.db2.gz TVJVDEUMVSTNHE-IRXDYDNUSA-N 2 0 288.435 2.695 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000420356905 382380847 /nfs/dbraw/zinc/38/08/47/382380847.db2.gz HDBGVNXXMZUSFY-SFHVURJKSA-N 2 0 287.451 2.953 20 0 CFADRP Cc1cc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)ccc1F ZINC000420358958 382382376 /nfs/dbraw/zinc/38/23/76/382382376.db2.gz JYAFEJYQLVBSQN-PBHICJAKSA-N 2 0 292.398 2.507 20 0 CFADRP COc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)cc1O ZINC000352535069 382384650 /nfs/dbraw/zinc/38/46/50/382384650.db2.gz MAUDZBVFJRODNJ-UHFFFAOYSA-N 2 0 292.423 2.742 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000420364144 382385411 /nfs/dbraw/zinc/38/54/11/382385411.db2.gz CRBDWNCSKAGYBM-UKRRQHHQSA-N 2 0 289.423 2.685 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420367416 382388790 /nfs/dbraw/zinc/38/87/90/382388790.db2.gz VUMGDGKTQGPWOX-DOTOQJQBSA-N 2 0 273.424 2.563 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420398597 382398348 /nfs/dbraw/zinc/39/83/48/382398348.db2.gz HAGWVZLHCRPKDQ-MLGOLLRUSA-N 2 0 298.377 2.632 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420368150 382389205 /nfs/dbraw/zinc/38/92/05/382389205.db2.gz HLUFFEWSIDUJLC-INIZCTEOSA-N 2 0 290.455 2.820 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000420369537 382391631 /nfs/dbraw/zinc/39/16/31/382391631.db2.gz XRZMZVCJXBJRQX-OAHLLOKOSA-N 2 0 298.434 2.898 20 0 CFADRP Cc1ccncc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352546520 382392216 /nfs/dbraw/zinc/39/22/16/382392216.db2.gz WHXXALAFDRCPBQ-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP C(C[N@@H+]1CCO[C@H](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420375523 382392687 /nfs/dbraw/zinc/39/26/87/382392687.db2.gz POUJPEXEYMMXHR-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP c1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000420295400 382346863 /nfs/dbraw/zinc/34/68/63/382346863.db2.gz AGROYOZTJGBMFZ-AEFFLSMTSA-N 2 0 288.435 2.667 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)CC[C@H]1CC[NH2+]C1 ZINC000420297396 382347182 /nfs/dbraw/zinc/34/71/82/382347182.db2.gz DCKFWZODTQOLEN-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCc2ccccc2)cc1 ZINC000420297433 382347559 /nfs/dbraw/zinc/34/75/59/382347559.db2.gz DIXSOCGBBSWWDQ-GOSISDBHSA-N 2 0 298.430 2.912 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000420297323 382348351 /nfs/dbraw/zinc/34/83/51/382348351.db2.gz CXQJTTSCTMKHHR-KBPBESRZSA-N 2 0 262.397 2.775 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000188493522 382424652 /nfs/dbraw/zinc/42/46/52/382424652.db2.gz IVTJORMIXBXDSR-UHFFFAOYSA-N 2 0 285.391 2.677 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000352632127 382424766 /nfs/dbraw/zinc/42/47/66/382424766.db2.gz YMJUDFDLDYAYIU-IXDOHACOSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c(C)n1 ZINC000365633407 382426770 /nfs/dbraw/zinc/42/67/70/382426770.db2.gz VTONCYFYONKCOM-MRXNPFEDSA-N 2 0 284.407 2.812 20 0 CFADRP CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH+]c2ccccc21 ZINC000420645142 382442049 /nfs/dbraw/zinc/44/20/49/382442049.db2.gz ZWSNNVJKIGAUAC-ZDUSSCGKSA-N 2 0 255.365 2.765 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420403128 382399612 /nfs/dbraw/zinc/39/96/12/382399612.db2.gz KQUPBXYYUSHUCS-RDJZCZTQSA-N 2 0 260.425 2.844 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420405432 382399709 /nfs/dbraw/zinc/39/97/09/382399709.db2.gz MVTVPUXPBYVUPV-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420411565 382401356 /nfs/dbraw/zinc/40/13/56/382401356.db2.gz RVQNWFFGJWSKQR-UKPHBRMFSA-N 2 0 276.424 2.906 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1F ZINC000420408574 382401594 /nfs/dbraw/zinc/40/15/94/382401594.db2.gz PONIDNSSMFLKDY-OLZOCXBDSA-N 2 0 250.361 2.784 20 0 CFADRP C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000420409176 382402016 /nfs/dbraw/zinc/40/20/16/382402016.db2.gz QHLRSHRPSOLGCR-DZGCQCFKSA-N 2 0 264.388 2.675 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420423138 382403095 /nfs/dbraw/zinc/40/30/95/382403095.db2.gz ZXJZXQQSSILCIQ-ZIAGYGMSSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)COCc1ccccc1 ZINC000358014137 382408813 /nfs/dbraw/zinc/40/88/13/382408813.db2.gz JXBXIRIWMSBWSQ-RYRKJORJSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCO1 ZINC000346553056 382410513 /nfs/dbraw/zinc/41/05/13/382410513.db2.gz GSHYKPPPZQIBDP-MELADBBJSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000304672347 382415129 /nfs/dbraw/zinc/41/51/29/382415129.db2.gz CHVSXWYFLLIHOD-DOTOQJQBSA-N 2 0 282.472 2.782 20 0 CFADRP O[C@@H](CC1CCCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000188640070 382447070 /nfs/dbraw/zinc/44/70/70/382447070.db2.gz ZQWCDXOHZXOBFR-SFHVURJKSA-N 2 0 294.483 2.735 20 0 CFADRP COc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)cc(Cl)c1OC ZINC000346636668 382449045 /nfs/dbraw/zinc/44/90/45/382449045.db2.gz HVLNMVQYRXQFGW-PWSUYJOCSA-N 2 0 298.814 2.526 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000305976783 382451724 /nfs/dbraw/zinc/45/17/24/382451724.db2.gz KJXVQNJCBBIEAX-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346646292 382453298 /nfs/dbraw/zinc/45/32/98/382453298.db2.gz AJUGSGPRDBDXJQ-KBPBESRZSA-N 2 0 284.407 2.554 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000346666763 382462009 /nfs/dbraw/zinc/46/20/09/382462009.db2.gz YWOWZMUGNQJBNU-HIFRSBDPSA-N 2 0 290.455 2.637 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC2(C)C)[C@@H](C)C1 ZINC000358139691 382466489 /nfs/dbraw/zinc/46/64/89/382466489.db2.gz KYASYWQXGWOAIN-JYJNAYRXSA-N 2 0 282.472 2.759 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000346680569 382469451 /nfs/dbraw/zinc/46/94/51/382469451.db2.gz BSEVAWWFOKTJHP-UHFFFAOYSA-N 2 0 281.403 2.919 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Cl ZINC000310231777 382494255 /nfs/dbraw/zinc/49/42/55/382494255.db2.gz JSNRHYYFFFROEV-NSHDSACASA-N 2 0 254.805 2.936 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346692377 382475731 /nfs/dbraw/zinc/47/57/31/382475731.db2.gz YLXZNWXYIKEXPJ-BBRMVZONSA-N 2 0 298.434 2.658 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000346692541 382475756 /nfs/dbraw/zinc/47/57/56/382475756.db2.gz ZTCVBBYWUFCTSI-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000378541167 382479344 /nfs/dbraw/zinc/47/93/44/382479344.db2.gz DXFKLTICTGBUGT-UHFFFAOYSA-N 3 0 293.499 2.715 20 0 CFADRP CCOc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000346695153 382480488 /nfs/dbraw/zinc/48/04/88/382480488.db2.gz YOIACAPQWCOKKX-OAHLLOKOSA-N 2 0 294.439 2.899 20 0 CFADRP CC(C)C[N@@H+]1CCCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000366181586 382480797 /nfs/dbraw/zinc/48/07/97/382480797.db2.gz HTWDUOWHDOZJLI-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP CCC[C@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366209542 382486415 /nfs/dbraw/zinc/48/64/15/382486415.db2.gz LHANRYBZNPHYRS-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@@H]21 ZINC000381658381 382523153 /nfs/dbraw/zinc/52/31/53/382523153.db2.gz SATOSPYVFLSBET-KCCISBIVSA-N 2 0 256.393 2.759 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC3CC3)C[C@H]12 ZINC000346814599 382525782 /nfs/dbraw/zinc/52/57/82/382525782.db2.gz BUUXOZLJVGOHSI-HYVNUMGLSA-N 2 0 286.419 2.645 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000358195170 382499645 /nfs/dbraw/zinc/49/96/45/382499645.db2.gz UUBNMLSKSGBVIA-BDXSIMOUSA-N 2 0 270.420 2.834 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000311137110 382501975 /nfs/dbraw/zinc/50/19/75/382501975.db2.gz BLVNZWZTTFEZID-IHRRRGAJSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@H](CCN[C@H]1CCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379646575 382507049 /nfs/dbraw/zinc/50/70/49/382507049.db2.gz FPDXZHRMEGIRRJ-NJAFHUGGSA-N 2 0 289.467 2.614 20 0 CFADRP Cc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000311730794 382507269 /nfs/dbraw/zinc/50/72/69/382507269.db2.gz QZMICMGOSGGVOG-IYBDPMFKSA-N 2 0 258.409 2.735 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC1CCOCC1 ZINC000312046002 382510229 /nfs/dbraw/zinc/51/02/29/382510229.db2.gz VCAMUMBULNOJGJ-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)C[C@H]12 ZINC000346818489 382528663 /nfs/dbraw/zinc/52/86/63/382528663.db2.gz GLWBHBKPLUYYEX-WKPIXPDZSA-N 2 0 274.339 2.741 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000346798495 382515228 /nfs/dbraw/zinc/51/52/28/382515228.db2.gz UWIVINQKZVBCDQ-ZOBUZTSGSA-N 2 0 260.425 2.998 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1 ZINC000346797540 382515859 /nfs/dbraw/zinc/51/58/59/382515859.db2.gz OELAAMLSXSOFNZ-GRDNDAEWSA-N 2 0 276.424 2.699 20 0 CFADRP Fc1cc(F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000312818244 382517630 /nfs/dbraw/zinc/51/76/30/382517630.db2.gz MKQIHWBSOLZDHV-PHIMTYICSA-N 2 0 284.325 2.535 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000188985007 382518203 /nfs/dbraw/zinc/51/82/03/382518203.db2.gz WQSRQRREAZCBSW-DLBZAZTESA-N 2 0 260.425 2.939 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@H]2CCC[C@H]21 ZINC000353609110 382575765 /nfs/dbraw/zinc/57/57/65/382575765.db2.gz AEHKFXVESLLHNW-OWCLPIDISA-N 2 0 284.407 2.525 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346838314 382538394 /nfs/dbraw/zinc/53/83/94/382538394.db2.gz WXSSSBXFKOAJIB-ZFISUJSUSA-N 2 0 286.419 2.768 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346841321 382539039 /nfs/dbraw/zinc/53/90/39/382539039.db2.gz VQGUZUYQIUXCMT-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP COc1c(C)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000346845337 382540805 /nfs/dbraw/zinc/54/08/05/382540805.db2.gz MYLQHKOJNMQYNP-BBWFWOEESA-N 2 0 288.435 2.871 20 0 CFADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000346850011 382544397 /nfs/dbraw/zinc/54/43/97/382544397.db2.gz HPIUJEXALLGUFF-XLNGHYISSA-N 2 0 258.409 2.849 20 0 CFADRP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000346859521 382547473 /nfs/dbraw/zinc/54/74/73/382547473.db2.gz SKNJZRPLFXTTEY-AWEZNQCLSA-N 2 0 250.361 2.570 20 0 CFADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384111655 382548905 /nfs/dbraw/zinc/54/89/05/382548905.db2.gz IUCGWBKOPXFTTI-SUMWQHHRSA-N 2 0 258.409 2.953 20 0 CFADRP COCC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000384416764 382553854 /nfs/dbraw/zinc/55/38/54/382553854.db2.gz QFCUIVJHDZTTBL-MRXNPFEDSA-N 2 0 276.424 2.525 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000346876226 382555261 /nfs/dbraw/zinc/55/52/61/382555261.db2.gz JMHWZWPPSRNYQG-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C1CCOCC1 ZINC000346880131 382556782 /nfs/dbraw/zinc/55/67/82/382556782.db2.gz MSOCGXZNRMQQHY-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353528626 382557314 /nfs/dbraw/zinc/55/73/14/382557314.db2.gz ODOGGEPUAYQTQW-IRKLFDGPSA-N 2 0 280.456 2.654 20 0 CFADRP COCCN1CCC([NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000346898598 382564447 /nfs/dbraw/zinc/56/44/47/382564447.db2.gz HFYWIKYQGIYRAM-UHFFFAOYSA-N 2 0 292.398 2.515 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccncc1F ZINC000353590203 382566658 /nfs/dbraw/zinc/56/66/58/382566658.db2.gz IRUXRMPTXHFAJT-PNESKVBLSA-N 2 0 265.376 2.744 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358320529 382566863 /nfs/dbraw/zinc/56/68/63/382566863.db2.gz QELPIEPMMFFRRI-SJORKVTESA-N 2 0 288.435 2.844 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353611937 382577390 /nfs/dbraw/zinc/57/73/90/382577390.db2.gz GCEZKHBSBZHFAM-ZKXLYKBJSA-N 2 0 294.483 2.900 20 0 CFADRP C1=CC[C@H](C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000367466757 382571693 /nfs/dbraw/zinc/57/16/93/382571693.db2.gz AFRDPVHOUGCLER-VVLHAWIVSA-N 2 0 260.425 2.759 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[NH+](C)CC1 ZINC000353609151 382575358 /nfs/dbraw/zinc/57/53/58/382575358.db2.gz AQZBGMCAXSXZHL-HUUCEWRRSA-N 2 0 282.497 2.982 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346831307 382533583 /nfs/dbraw/zinc/53/35/83/382533583.db2.gz KRDZXPYJBQTNTD-USXIJHARSA-N 2 0 296.418 2.554 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccco2)CC[NH+](C)CC1 ZINC000353633045 382587200 /nfs/dbraw/zinc/58/72/00/382587200.db2.gz VQNSWGIDSTZHKM-GFCCVEGCSA-N 2 0 268.426 2.758 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)[C@H]2CCC[C@@H]21 ZINC000353631860 382587206 /nfs/dbraw/zinc/58/72/06/382587206.db2.gz NEEDUHHXZWEESG-IKGGRYGDSA-N 2 0 298.434 2.568 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000358363145 382587405 /nfs/dbraw/zinc/58/74/05/382587405.db2.gz GCVXXMBDFFFIMB-MELADBBJSA-N 2 0 258.475 2.694 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCC1 ZINC000367811843 382587830 /nfs/dbraw/zinc/58/78/30/382587830.db2.gz BIGSOQSFBDPIKI-WMLDXEAASA-N 2 0 278.440 2.504 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353659936 382597669 /nfs/dbraw/zinc/59/76/69/382597669.db2.gz NUANOQKVAUKDAR-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000358396601 382599452 /nfs/dbraw/zinc/59/94/52/382599452.db2.gz IXIZWLZITBDXMJ-KEYYUXOJSA-N 2 0 276.424 2.556 20 0 CFADRP Cc1sccc1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000295278826 382606480 /nfs/dbraw/zinc/60/64/80/382606480.db2.gz IGWHJDOLMSVPBQ-CYBMUJFWSA-N 2 0 252.427 2.830 20 0 CFADRP CCOCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000388417667 382607107 /nfs/dbraw/zinc/60/71/07/382607107.db2.gz FYDWHSYCDLYNKF-BZUAXINKSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000389281726 382612302 /nfs/dbraw/zinc/61/23/02/382612302.db2.gz KWYPTBLRLFSSBG-BETUJISGSA-N 2 0 279.453 2.698 20 0 CFADRP Cc1sccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000295331078 382618910 /nfs/dbraw/zinc/61/89/10/382618910.db2.gz MAACGFYFICLUDT-UHFFFAOYSA-N 2 0 294.464 2.601 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000393118484 382623110 /nfs/dbraw/zinc/62/31/10/382623110.db2.gz ZFONLQDLHKDKQG-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393597967 382624181 /nfs/dbraw/zinc/62/41/81/382624181.db2.gz KRRQMDZLCIKOBT-CQDKDKBSSA-N 2 0 262.397 2.518 20 0 CFADRP CCc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000394066215 382626295 /nfs/dbraw/zinc/62/62/95/382626295.db2.gz LYHOFRNUEMEMCE-BETUJISGSA-N 2 0 264.438 2.742 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccncc2)CC[NH+](C)CC1 ZINC000353612574 382578792 /nfs/dbraw/zinc/57/87/92/382578792.db2.gz SEIGOXCXQZCJNR-ZDUSSCGKSA-N 2 0 279.453 2.560 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2csc(C)n2)CC[NH+](C)CC1 ZINC000353617237 382580482 /nfs/dbraw/zinc/58/04/82/382580482.db2.gz CUZUFVDEUFOEPP-NSHDSACASA-N 2 0 299.509 2.930 20 0 CFADRP C[C@H]([NH2+]CCCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000385924982 382580914 /nfs/dbraw/zinc/58/09/14/382580914.db2.gz AUMIDEMQZYPXNU-LSDHHAIUSA-N 2 0 286.423 2.547 20 0 CFADRP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000386149906 382583468 /nfs/dbraw/zinc/58/34/68/382583468.db2.gz RYORKHQBAWLKJG-RDJZCZTQSA-N 2 0 275.440 2.633 20 0 CFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386133960 382583523 /nfs/dbraw/zinc/58/35/23/382583523.db2.gz PIJITUPLFMJIKS-HRCADAONSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CN1Cc1ccccc1 ZINC000189794900 382640976 /nfs/dbraw/zinc/64/09/76/382640976.db2.gz JNZRMGJGONAREA-UBDQQSCGSA-N 2 0 288.435 2.543 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000190608761 382674678 /nfs/dbraw/zinc/67/46/78/382674678.db2.gz WIBZUYSRRAYHRK-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000190632122 382675779 /nfs/dbraw/zinc/67/57/79/382675779.db2.gz AMXIUXLQFVBRTM-QGZVFWFLSA-N 2 0 282.472 2.734 20 0 CFADRP Cc1c([C@H](C)[NH2+]C2CCN(C)CC2)cnn1C(C)C ZINC000191130695 382692158 /nfs/dbraw/zinc/69/21/58/382692158.db2.gz ZMQKMMWSBHFTMB-LBPRGKRZSA-N 2 0 264.417 2.517 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000191166231 382694112 /nfs/dbraw/zinc/69/41/12/382694112.db2.gz RUGJSPHXMHIZDD-ZFWWWQNUSA-N 2 0 290.455 2.907 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccsc1 ZINC000191188560 382694928 /nfs/dbraw/zinc/69/49/28/382694928.db2.gz VNKPRPNXFUYMPM-INIZCTEOSA-N 2 0 295.496 2.816 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN2C)cnn1C(C)(C)C ZINC000191212345 382695770 /nfs/dbraw/zinc/69/57/70/382695770.db2.gz ZKSQKONEYSEBRJ-JSGCOSHPSA-N 2 0 278.444 2.691 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cnn1C(C)(C)C ZINC000191212329 382695804 /nfs/dbraw/zinc/69/58/04/382695804.db2.gz ZKSQKONEYSEBRJ-OCCSQVGLSA-N 2 0 278.444 2.691 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000192245307 382705808 /nfs/dbraw/zinc/70/58/08/382705808.db2.gz POLIQPIYAACDJT-ZIAGYGMSSA-N 2 0 266.433 2.581 20 0 CFADRP COC(=O)C1CCC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000192442794 382708807 /nfs/dbraw/zinc/70/88/07/382708807.db2.gz VNDYGXKTROENMH-YMAMQOFZSA-N 2 0 298.471 2.674 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000192476867 382709443 /nfs/dbraw/zinc/70/94/43/382709443.db2.gz DUQLGPHUOYAEGN-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192477466 382709499 /nfs/dbraw/zinc/70/94/99/382709499.db2.gz NQOIPHUKJWSYBQ-WCXIOVBPSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000193002514 382714406 /nfs/dbraw/zinc/71/44/06/382714406.db2.gz IPPSUDJKTOCRKA-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000193080971 382715439 /nfs/dbraw/zinc/71/54/39/382715439.db2.gz RKOIFMRCRNPEJU-KRWDZBQOSA-N 2 0 298.471 2.583 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cs1 ZINC000193142677 382716226 /nfs/dbraw/zinc/71/62/26/382716226.db2.gz RHKLODHTHWNJFT-LBPRGKRZSA-N 2 0 290.860 2.848 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCCCC1 ZINC000194171193 382736362 /nfs/dbraw/zinc/73/63/62/382736362.db2.gz MURLPWBLHMVKMI-QBPKDAKJSA-N 2 0 292.467 2.798 20 0 CFADRP COCC[N@H+](CCCc1cncn1C)Cc1cccs1 ZINC000575135210 382728533 /nfs/dbraw/zinc/72/85/33/382728533.db2.gz WTFFEUKIOWWFLI-UHFFFAOYSA-N 2 0 293.436 2.563 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]CCSCc2ccccc2)C1 ZINC000193902589 382728862 /nfs/dbraw/zinc/72/88/62/382728862.db2.gz BMKBVSXVWAVEBY-MRXNPFEDSA-N 2 0 278.465 2.851 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000193990081 382732051 /nfs/dbraw/zinc/73/20/51/382732051.db2.gz ZRYOTAJGHKSUOR-QBPKDAKJSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCCCC1 ZINC000194171202 382736789 /nfs/dbraw/zinc/73/67/89/382736789.db2.gz MURLPWBLHMVKMI-VVLHAWIVSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336843218 382732831 /nfs/dbraw/zinc/73/28/31/382732831.db2.gz VREJTZQAEJVKLT-KYJSFNMBSA-N 2 0 288.435 2.795 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)nc21 ZINC000337121585 382763296 /nfs/dbraw/zinc/76/32/96/382763296.db2.gz AKUZXFGOACTBSF-KGLIPLIRSA-N 2 0 287.407 2.609 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000219323217 382793613 /nfs/dbraw/zinc/79/36/13/382793613.db2.gz OCMNGDNXQCQKAF-QGZVFWFLSA-N 2 0 278.440 2.942 20 0 CFADRP CCC[C@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000337210756 382778114 /nfs/dbraw/zinc/77/81/14/382778114.db2.gz CXFUMRZJUFADNT-GJZGRUSLSA-N 2 0 256.434 2.608 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C ZINC000194204040 382737179 /nfs/dbraw/zinc/73/71/79/382737179.db2.gz PTMNIZNCOLQTBL-HNNXBMFYSA-N 2 0 274.408 2.578 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cn1 ZINC000194214496 382737841 /nfs/dbraw/zinc/73/78/41/382737841.db2.gz PAARQQLOUKCLLZ-UHFFFAOYSA-N 2 0 276.428 2.585 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1C ZINC000194354447 382741856 /nfs/dbraw/zinc/74/18/56/382741856.db2.gz KURMRIQLOONZGT-JKSUJKDBSA-N 2 0 276.424 2.966 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1C ZINC000194354436 382741874 /nfs/dbraw/zinc/74/18/74/382741874.db2.gz KURMRIQLOONZGT-HZPDHXFCSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H]1CCC=CO1 ZINC000194541278 382747923 /nfs/dbraw/zinc/74/79/23/382747923.db2.gz LSAVAAOUFQQRIU-WBVHZDCISA-N 2 0 274.408 2.789 20 0 CFADRP CCCc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219308322 382793178 /nfs/dbraw/zinc/79/31/78/382793178.db2.gz SYLZPTFEQJEGEP-OAHLLOKOSA-N 2 0 278.440 2.868 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc2c(s1)CCCC2 ZINC000219303489 382793247 /nfs/dbraw/zinc/79/32/47/382793247.db2.gz AWXXZBFYBWMKLN-ZDUSSCGKSA-N 2 0 296.480 2.856 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC(C)C ZINC000575353601 382760623 /nfs/dbraw/zinc/76/06/23/382760623.db2.gz HVRFPUNNNVERBD-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000337317786 382800106 /nfs/dbraw/zinc/80/01/06/382800106.db2.gz LTKFRTFUKSYHBR-QGZVFWFLSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000337338960 382805192 /nfs/dbraw/zinc/80/51/92/382805192.db2.gz OFLQMQGWYPSWQD-LSDHHAIUSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000337340121 382805515 /nfs/dbraw/zinc/80/55/15/382805515.db2.gz PCQBPOQPABRMHR-LSDHHAIUSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC1CCCCC1 ZINC000337340296 382805713 /nfs/dbraw/zinc/80/57/13/382805713.db2.gz SQNUHIOXBDTQMC-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CC(C)OC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000337346232 382807032 /nfs/dbraw/zinc/80/70/32/382807032.db2.gz WCFWGZOYWDEBPF-KBPBESRZSA-N 2 0 258.450 2.756 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@@H]1CCSC1)C1CCCCC1 ZINC000224391108 382810594 /nfs/dbraw/zinc/81/05/94/382810594.db2.gz SHJSCIONXHYITQ-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000337382127 382813071 /nfs/dbraw/zinc/81/30/71/382813071.db2.gz JQAQACCAVGLFMF-DYEKYZERSA-N 2 0 272.383 2.884 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCO1 ZINC000225588621 382818529 /nfs/dbraw/zinc/81/85/29/382818529.db2.gz KBUCPSNWTPIZNK-HUUCEWRRSA-N 2 0 256.434 2.510 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000576458162 382823300 /nfs/dbraw/zinc/82/33/00/382823300.db2.gz LGXNDIZJZNVKLF-INIZCTEOSA-N 2 0 259.397 2.523 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000576475475 382824273 /nfs/dbraw/zinc/82/42/73/382824273.db2.gz DRGYPHLIEXQFGO-CJNGLKHVSA-N 2 0 274.408 2.787 20 0 CFADRP CCOc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1O ZINC000226346091 382827211 /nfs/dbraw/zinc/82/72/11/382827211.db2.gz VJKBGTXXMQLVNB-UHFFFAOYSA-N 2 0 292.423 2.612 20 0 CFADRP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226434477 382828452 /nfs/dbraw/zinc/82/84/52/382828452.db2.gz CAMKXOTUKCRXLA-CYBMUJFWSA-N 2 0 284.350 2.719 20 0 CFADRP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000226435436 382828523 /nfs/dbraw/zinc/82/85/23/382828523.db2.gz PEYNITPPYSLYEO-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP Fc1ccc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)c(F)c1 ZINC000226435526 382828803 /nfs/dbraw/zinc/82/88/03/382828803.db2.gz QTZARVUKKNEQJK-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP Fc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435097 382828864 /nfs/dbraw/zinc/82/88/64/382828864.db2.gz UUYJRTZORAJYOF-AWEZNQCLSA-N 2 0 262.372 2.790 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)oc1C ZINC000337514813 382835453 /nfs/dbraw/zinc/83/54/53/382835453.db2.gz LBMWATYYBOTQPE-ZBFHGGJFSA-N 2 0 294.439 2.784 20 0 CFADRP [NH3+]C[C@@H](CSCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000576986428 382843369 /nfs/dbraw/zinc/84/33/69/382843369.db2.gz RSCLDBPPNGOGND-AWEZNQCLSA-N 2 0 282.428 2.601 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Cc1cccs1 ZINC000577231996 382852465 /nfs/dbraw/zinc/85/24/65/382852465.db2.gz TZTOGCWZPURVDB-YNEHKIRRSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@@H]1C[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000228303111 382845929 /nfs/dbraw/zinc/84/59/29/382845929.db2.gz BVWQLPIQBFRTJW-CBZIJGRNSA-N 2 0 293.499 2.712 20 0 CFADRP COCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000338020345 382904647 /nfs/dbraw/zinc/90/46/47/382904647.db2.gz OTLFNPOEPWSNCA-OAHLLOKOSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCCC[C@H]1C ZINC000493896716 382906749 /nfs/dbraw/zinc/90/67/49/382906749.db2.gz IQCKWUJBWMTVGC-OVYGPGRDSA-N 2 0 292.467 2.797 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000230049575 382855115 /nfs/dbraw/zinc/85/51/15/382855115.db2.gz QSRCQPFMOAIODG-VHDGCEQUSA-N 2 0 264.800 2.899 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577412371 382858761 /nfs/dbraw/zinc/85/87/61/382858761.db2.gz OYVKWYOMIBUHEK-KBPBESRZSA-N 2 0 264.438 2.811 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000577602129 382864125 /nfs/dbraw/zinc/86/41/25/382864125.db2.gz VPQFBPLXNULZHJ-UHFFFAOYSA-N 2 0 276.424 2.533 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+]CCC[NH+]1CCCCC1)C2 ZINC000232456509 382868514 /nfs/dbraw/zinc/86/85/14/382868514.db2.gz OAKYNUSDLJWUHF-UHFFFAOYSA-N 2 0 272.436 2.867 20 0 CFADRP c1nc(C2CC2)sc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000577730044 382868776 /nfs/dbraw/zinc/86/87/76/382868776.db2.gz HZVDDWQCDKNGBN-HNNXBMFYSA-N 2 0 277.437 2.596 20 0 CFADRP CC(C)(C)c1csc(CN2CC[C@](C)(C[NH3+])C2)n1 ZINC000232556985 382869064 /nfs/dbraw/zinc/86/90/64/382869064.db2.gz JISHWNUGLAOGCE-CQSZACIVSA-N 2 0 267.442 2.611 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CCCc2ccc(C)nc2)CC1 ZINC000577809362 382871329 /nfs/dbraw/zinc/87/13/29/382871329.db2.gz CPXXFCVDWGQSLJ-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000233474456 382871334 /nfs/dbraw/zinc/87/13/34/382871334.db2.gz XYHGIJIMSKWREA-CXAGYDPISA-N 2 0 274.408 2.701 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000577986872 382879767 /nfs/dbraw/zinc/87/97/67/382879767.db2.gz RRMJCLPHJHNKBE-CVEARBPZSA-N 2 0 292.471 2.715 20 0 CFADRP CC[C@H](F)C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000440791818 382882865 /nfs/dbraw/zinc/88/28/65/382882865.db2.gz KEGDMZUBBHEYNH-INIZCTEOSA-N 2 0 288.451 2.805 20 0 CFADRP Cc1nc(CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH]c1C ZINC000578027038 382885139 /nfs/dbraw/zinc/88/51/39/382885139.db2.gz LOXDNXMYQZZSJK-DYVFJYSZSA-N 2 0 298.434 2.637 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337984861 382887950 /nfs/dbraw/zinc/88/79/50/382887950.db2.gz CCIDAMISNZQCJO-GJZGRUSLSA-N 2 0 254.393 2.756 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337986791 382889517 /nfs/dbraw/zinc/88/95/17/382889517.db2.gz ISZZWZAUZZZASY-WBVHZDCISA-N 2 0 299.478 2.520 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000338012354 382901220 /nfs/dbraw/zinc/90/12/20/382901220.db2.gz QIKSSQZIPNDRON-IXDOHACOSA-N 2 0 286.419 2.597 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000338164950 382939481 /nfs/dbraw/zinc/93/94/81/382939481.db2.gz ALXRAXBFDGYUBY-WBVHZDCISA-N 2 0 258.409 2.864 20 0 CFADRP C(=C\c1ccncc1)\C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000494943735 382944553 /nfs/dbraw/zinc/94/45/53/382944553.db2.gz ZJAFSYQVHWVKNO-LIMHQNJXSA-N 2 0 294.402 2.924 20 0 CFADRP Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000237037341 382946498 /nfs/dbraw/zinc/94/64/98/382946498.db2.gz ZBXPPQUETKMFOR-ZFWWWQNUSA-N 2 0 289.423 2.513 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000442744991 382950790 /nfs/dbraw/zinc/95/07/90/382950790.db2.gz IQFPYTTVNDHVTR-RVMXOQNASA-N 2 0 278.400 2.709 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc(C)n1 ZINC000421860587 382951227 /nfs/dbraw/zinc/95/12/27/382951227.db2.gz UHXALJRCUCOYLQ-GVDBMIGSSA-N 2 0 273.424 2.661 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)[C@@H]1C ZINC000495031414 382954246 /nfs/dbraw/zinc/95/42/46/382954246.db2.gz ROUOVYNISODLKO-IIAWOOMASA-N 2 0 291.439 2.546 20 0 CFADRP C/C(=C/c1ccccc1)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000578801978 382955674 /nfs/dbraw/zinc/95/56/74/382955674.db2.gz FZDTWTKMLKHFHK-ICFOKQHNSA-N 2 0 289.467 2.515 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000495060064 382956163 /nfs/dbraw/zinc/95/61/63/382956163.db2.gz PXZVDBSDWJEPKF-JKIFEVAISA-N 2 0 273.424 2.932 20 0 CFADRP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCCC1 ZINC000578822148 382956636 /nfs/dbraw/zinc/95/66/36/382956636.db2.gz WVVILWXAWLHXIF-GOSISDBHSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCSC2)CC1 ZINC000495072726 382958525 /nfs/dbraw/zinc/95/85/25/382958525.db2.gz TVQCVPAVFNKURH-CYBMUJFWSA-N 2 0 256.459 2.544 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000578846536 382959586 /nfs/dbraw/zinc/95/95/86/382959586.db2.gz HEQFIWKQVXZVCD-QAETUUGQSA-N 3 0 281.488 2.652 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000578873444 382961729 /nfs/dbraw/zinc/96/17/29/382961729.db2.gz UPLWFFMSWRAZHI-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCC2)CC1 ZINC000421822687 382934139 /nfs/dbraw/zinc/93/41/39/382934139.db2.gz XTBCGMWHFPOTGP-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893617 532963423 /nfs/dbraw/zinc/96/34/23/532963423.db2.gz AKWHFBKEJPGJBV-NEPJUHHUSA-N 2 0 250.361 2.573 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000236937980 382934540 /nfs/dbraw/zinc/93/45/40/382934540.db2.gz SAQODZAMLXKMLR-MRXNPFEDSA-N 2 0 289.423 2.614 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCOc1ccc(F)cc1 ZINC000422825974 532965103 /nfs/dbraw/zinc/96/51/03/532965103.db2.gz BGEXHKUBECFHDR-OLZOCXBDSA-N 2 0 268.376 2.700 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000578994842 382972619 /nfs/dbraw/zinc/97/26/19/382972619.db2.gz QJACUAJZYNPXGY-CYBMUJFWSA-N 2 0 250.411 2.813 20 0 CFADRP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422558454 382973260 /nfs/dbraw/zinc/97/32/60/382973260.db2.gz AQPRJCRGMZJRII-TUAOUCFPSA-N 2 0 267.442 2.511 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422555732 382973513 /nfs/dbraw/zinc/97/35/13/382973513.db2.gz QZDBHMNCQHKEHD-GYXIZQIFSA-N 3 0 281.488 2.760 20 0 CFADRP CC(C)(C)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000444607645 382974222 /nfs/dbraw/zinc/97/42/22/382974222.db2.gz JLMBUUBLUJTRPB-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)n1 ZINC000422641296 382975107 /nfs/dbraw/zinc/97/51/07/382975107.db2.gz XKOSHPABNFVAFH-FFSVYQOJSA-N 2 0 261.413 2.504 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H](C)CCC[NH3+])c(C)n1 ZINC000423022084 383016414 /nfs/dbraw/zinc/01/64/14/383016414.db2.gz HBXMIJDRSFAWNF-ZDUSSCGKSA-N 2 0 266.433 2.599 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422714354 382976968 /nfs/dbraw/zinc/97/69/68/382976968.db2.gz QYHVGUIDMKBABV-USXIJHARSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422747581 382977536 /nfs/dbraw/zinc/97/75/36/382977536.db2.gz QNHJRJBKAUBYEQ-SWLSCSKDSA-N 2 0 299.409 2.675 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422749880 382977573 /nfs/dbraw/zinc/97/75/73/382977573.db2.gz BHXQNTSLEQSVDB-JKSUJKDBSA-N 2 0 279.472 2.645 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422761424 382978135 /nfs/dbraw/zinc/97/81/35/382978135.db2.gz MMKGRPRZUNAWJW-IDCJVQTKSA-N 2 0 287.451 2.841 20 0 CFADRP CN(CCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422743613 382978168 /nfs/dbraw/zinc/97/81/68/382978168.db2.gz UNSFPLYJQJEJRX-NVXWUHKLSA-N 2 0 275.440 2.620 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c(C)n1 ZINC000423021916 383016679 /nfs/dbraw/zinc/01/66/79/383016679.db2.gz GQUZODDKZYXQSH-RHSMWYFYSA-N 2 0 292.471 2.859 20 0 CFADRP Cc1ccc([C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775199 382979424 /nfs/dbraw/zinc/97/94/24/382979424.db2.gz ANSFONZVBVINMG-BPQIPLTHSA-N 2 0 289.467 2.718 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423027564 383018770 /nfs/dbraw/zinc/01/87/70/383018770.db2.gz RMMIIXMHRDKQHS-GXTWGEPZSA-N 2 0 295.496 2.961 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C12CCCC2 ZINC000422811420 382980924 /nfs/dbraw/zinc/98/09/24/382980924.db2.gz VWCPYGZBXKPILZ-YHUYYLMFSA-N 2 0 280.456 2.831 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799902 382981396 /nfs/dbraw/zinc/98/13/96/382981396.db2.gz AGZVVSDCNNNARG-KLHDSHLOSA-N 2 0 280.456 2.844 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422815757 382982392 /nfs/dbraw/zinc/98/23/92/382982392.db2.gz YIOPVOMLISVHPC-HOCLYGCPSA-N 2 0 258.409 2.825 20 0 CFADRP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422815332 382982740 /nfs/dbraw/zinc/98/27/40/382982740.db2.gz XKJMJKDFQHBJJG-KURKYZTESA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422842323 382983304 /nfs/dbraw/zinc/98/33/04/382983304.db2.gz YBHDKNBHNQOXIL-JLZZUVOBSA-N 2 0 267.376 2.747 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422861844 382983702 /nfs/dbraw/zinc/98/37/02/382983702.db2.gz NADGEKPMUYVGDP-HSFUPAIVSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422884226 382984955 /nfs/dbraw/zinc/98/49/55/382984955.db2.gz DOLJYNNKKLTZSO-ZMSDIMECSA-N 2 0 260.425 2.965 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422877666 382985008 /nfs/dbraw/zinc/98/50/08/382985008.db2.gz IAPNSBFSRRZCTJ-BDXSIMOUSA-N 3 0 295.515 2.865 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422873475 382985329 /nfs/dbraw/zinc/98/53/29/382985329.db2.gz ANDBFAQHMCIQKC-MHORFTMASA-N 3 0 295.515 2.722 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422882394 382985659 /nfs/dbraw/zinc/98/56/59/382985659.db2.gz ZZDMLYUOPQKBKC-CYGHRXIMSA-N 2 0 290.451 2.519 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422881474 382985859 /nfs/dbraw/zinc/98/58/59/382985859.db2.gz NUVJWYJVNCQGCX-TWMKSMIVSA-N 2 0 281.488 2.604 20 0 CFADRP COCCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000422886114 382986588 /nfs/dbraw/zinc/98/65/88/382986588.db2.gz HQOYFSRRWFMPED-HOTGVXAUSA-N 2 0 274.408 2.928 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422922004 382988266 /nfs/dbraw/zinc/98/82/66/382988266.db2.gz ROYZFRPXBFPHAJ-UGUYLWEFSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422921999 382988619 /nfs/dbraw/zinc/98/86/19/382988619.db2.gz ROYZFRPXBFPHAJ-FPCVCCKLSA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913636 382988624 /nfs/dbraw/zinc/98/86/24/382988624.db2.gz YVDHPCCRPVDSQC-KSZLIROESA-N 2 0 293.499 2.748 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422922005 382988754 /nfs/dbraw/zinc/98/87/54/382988754.db2.gz ROYZFRPXBFPHAJ-VGWMRTNUSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422968657 382989674 /nfs/dbraw/zinc/98/96/74/382989674.db2.gz RSQPRXFZYGIVHK-GHMZBOCLSA-N 2 0 253.390 2.502 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422961895 382990094 /nfs/dbraw/zinc/99/00/94/382990094.db2.gz DDOCPRFYHWZDQP-JYJNAYRXSA-N 2 0 291.439 2.524 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H](CCCO)c2ccccc2)CC1 ZINC000422974181 382990947 /nfs/dbraw/zinc/99/09/47/382990947.db2.gz DKCFKQCQBMXFMJ-PREGVCBESA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422972830 382990995 /nfs/dbraw/zinc/99/09/95/382990995.db2.gz AMJYDUSUFMJZHI-HOCLYGCPSA-N 2 0 264.413 2.607 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccco1 ZINC000422976116 382992913 /nfs/dbraw/zinc/99/29/13/382992913.db2.gz URBKYEYJBXISGI-HRCADAONSA-N 2 0 293.455 2.770 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1 ZINC000422980071 382993568 /nfs/dbraw/zinc/99/35/68/382993568.db2.gz KQPRCDXCANFOTQ-NFOMZHRRSA-N 2 0 262.397 2.561 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422979105 382994107 /nfs/dbraw/zinc/99/41/07/382994107.db2.gz LHLBPIYLUOZAAQ-UONOGXRCSA-N 2 0 256.434 2.567 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422981404 382995228 /nfs/dbraw/zinc/99/52/28/382995228.db2.gz SOYQPULPAANIOA-NXHRZFHOSA-N 2 0 292.467 2.722 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])Oc1ccccc1 ZINC000422981714 382995705 /nfs/dbraw/zinc/99/57/05/382995705.db2.gz PBOSFGWRLPESDH-UONOGXRCSA-N 2 0 250.386 2.561 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000422981896 382995736 /nfs/dbraw/zinc/99/57/36/382995736.db2.gz PNRFACJPBBIVTM-ZDUSSCGKSA-N 2 0 295.430 2.914 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422982634 382995764 /nfs/dbraw/zinc/99/57/64/382995764.db2.gz XIKIFEYFDBGYRE-HZMVEIRTSA-N 2 0 282.472 2.684 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000579238788 382995982 /nfs/dbraw/zinc/99/59/82/382995982.db2.gz XDAGGMUMCCISRZ-ROUUACIJSA-N 2 0 272.436 2.894 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422986875 382997738 /nfs/dbraw/zinc/99/77/38/382997738.db2.gz DOKCAKMUDQFZQT-PBHICJAKSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422986315 382998202 /nfs/dbraw/zinc/99/82/02/382998202.db2.gz BXSWZQBWPCHYOY-CYBMUJFWSA-N 2 0 264.417 2.605 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[C@@H]1CCCC[NH2+]1 ZINC000422993063 382999648 /nfs/dbraw/zinc/99/96/48/382999648.db2.gz SFLOKGPGPKCPTB-RPCVNMKUSA-N 2 0 270.420 2.693 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000422993505 383000500 /nfs/dbraw/zinc/00/05/00/383000500.db2.gz FTOIDRXQBRZXNO-YFYLHZKVSA-N 2 0 296.414 2.713 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000422996771 383002561 /nfs/dbraw/zinc/00/25/61/383002561.db2.gz UJBJMDBZLPBKKI-RANZSIQMSA-N 2 0 290.451 2.738 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000422999047 383002759 /nfs/dbraw/zinc/00/27/59/383002759.db2.gz DNVVWETYWHVDPG-HLLBOEOZSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000549225383 383003105 /nfs/dbraw/zinc/00/31/05/383003105.db2.gz JSQXTKMJGALPTE-QGZVFWFLSA-N 2 0 295.515 2.817 20 0 CFADRP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2n1 ZINC000423005697 383006715 /nfs/dbraw/zinc/00/67/15/383006715.db2.gz MYUIIQLKRQEILI-YIONKMFJSA-N 2 0 297.402 2.616 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)c1ccccc1 ZINC000423004299 383007375 /nfs/dbraw/zinc/00/73/75/383007375.db2.gz JPXIAXUQOYTGJL-NXHRZFHOSA-N 2 0 290.451 2.663 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423006754 383008624 /nfs/dbraw/zinc/00/86/24/383008624.db2.gz WFXRUWWZJLAEOG-MNOVXSKESA-N 2 0 270.804 2.954 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423006848 383008998 /nfs/dbraw/zinc/00/89/98/383008998.db2.gz PECRRKSRTFMOPL-IXDOHACOSA-N 2 0 294.483 2.830 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423008334 383009788 /nfs/dbraw/zinc/00/97/88/383009788.db2.gz ZXVZZCSRULREMD-QBYUYEEZSA-N 2 0 276.424 2.870 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1c(C)noc1C ZINC000423012960 383010041 /nfs/dbraw/zinc/01/00/41/383010041.db2.gz LQIZHVUCSIRNKB-GXFFZTMASA-N 2 0 253.390 2.850 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423014681 383012261 /nfs/dbraw/zinc/01/22/61/383012261.db2.gz PNELXSLTBHVODJ-NEPJUHHUSA-N 2 0 284.831 2.997 20 0 CFADRP CC[C@@H]([NH2+]CCc1sccc1C)[C@@H]1CCC[NH2+]1 ZINC000423014987 383012279 /nfs/dbraw/zinc/01/22/79/383012279.db2.gz JTVFIRMECZBJEN-OLZOCXBDSA-N 2 0 252.427 2.719 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c2ccccc21 ZINC000423015412 383012689 /nfs/dbraw/zinc/01/26/89/383012689.db2.gz KSXGHHCCQAAHJC-DMRKSPOLSA-N 2 0 284.403 2.678 20 0 CFADRP CC[C@H]([NH2+]CCCSCC(C)C)[C@@H]1CCC[NH2+]1 ZINC000423015306 383012988 /nfs/dbraw/zinc/01/29/88/383012988.db2.gz QTKFPAKQYXXSGP-KBPBESRZSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423015379 383013013 /nfs/dbraw/zinc/01/30/13/383013013.db2.gz KOTNKXNSHJNCAE-WKPIXPDZSA-N 2 0 284.350 2.512 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423015508 383013080 /nfs/dbraw/zinc/01/30/80/383013080.db2.gz RHHMXCHXZGAOLE-JTUUTPGSSA-N 2 0 288.435 2.746 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423017854 383013401 /nfs/dbraw/zinc/01/34/01/383013401.db2.gz XGDGJODBLBRBTF-CRAIPNDOSA-N 2 0 298.434 2.724 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423016974 383013841 /nfs/dbraw/zinc/01/38/41/383013841.db2.gz VEXUHKGHBJGYFG-LLVKDONJSA-N 2 0 268.351 2.713 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000423017783 383014473 /nfs/dbraw/zinc/01/44/73/383014473.db2.gz PNWWENMBHFOZCH-IAGOWNOFSA-N 2 0 272.436 2.899 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]c3ccccc32)[C@@H](C)C[N@@H+]1C ZINC000443506603 382967444 /nfs/dbraw/zinc/96/74/44/382967444.db2.gz DIEMZKMRSQDUNG-OLZOCXBDSA-N 2 0 255.365 2.764 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000338273775 382971272 /nfs/dbraw/zinc/97/12/72/382971272.db2.gz HJILXYMJDAQMEQ-YESZJQIVSA-N 2 0 298.471 2.582 20 0 CFADRP CC(C)c1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000423048081 383030572 /nfs/dbraw/zinc/03/05/72/383030572.db2.gz HQCJYASGDVMBRQ-IAOVAPTHSA-N 2 0 276.424 2.652 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@H](O)Cc1ccccc1)C(C)C ZINC000579582742 383030962 /nfs/dbraw/zinc/03/09/62/383030962.db2.gz MMTQWCPXZFUONH-GOSISDBHSA-N 2 0 292.467 2.689 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCO2 ZINC000423049787 383031130 /nfs/dbraw/zinc/03/11/30/383031130.db2.gz KULNEXMNCINMIS-WFASDCNBSA-N 2 0 278.396 2.626 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000423051503 383031257 /nfs/dbraw/zinc/03/12/57/383031257.db2.gz NPYVMPCWLUMXNL-CABCVRRESA-N 2 0 268.351 2.757 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423051006 383031336 /nfs/dbraw/zinc/03/13/36/383031336.db2.gz ZKENQDVBAVKDCW-UONOGXRCSA-N 2 0 286.341 2.896 20 0 CFADRP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423058321 383033938 /nfs/dbraw/zinc/03/39/38/383033938.db2.gz JIOXFFYWNBLOJB-AYLPWXGPSA-N 2 0 264.335 2.836 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423057319 383034543 /nfs/dbraw/zinc/03/45/43/383034543.db2.gz HAFQZUSWQBTKIB-LSDHHAIUSA-N 2 0 275.440 2.619 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423056312 383034737 /nfs/dbraw/zinc/03/47/37/383034737.db2.gz XYWVRPWMZWQHFF-ZQDZILKHSA-N 2 0 268.445 2.699 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423060241 383035215 /nfs/dbraw/zinc/03/52/15/383035215.db2.gz NTFVGHQRGHYURG-GLQYFDAESA-N 2 0 278.371 2.756 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423059587 383035266 /nfs/dbraw/zinc/03/52/66/383035266.db2.gz FZEHOKPKPGKAHU-YJBOKZPZSA-N 2 0 289.467 2.614 20 0 CFADRP Cc1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn(C)c2c1 ZINC000423058504 383035475 /nfs/dbraw/zinc/03/54/75/383035475.db2.gz JROLOUFIPBMSPU-SJPCQFCGSA-N 2 0 297.446 2.902 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423390432 383078382 /nfs/dbraw/zinc/07/83/82/383078382.db2.gz OTPMYMUYHFCXRE-ZDUSSCGKSA-N 2 0 267.376 2.844 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423062833 383037216 /nfs/dbraw/zinc/03/72/16/383037216.db2.gz UWXJGERRMYFTKU-LXZKKBNFSA-N 2 0 258.409 2.595 20 0 CFADRP CSCc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423064426 383038827 /nfs/dbraw/zinc/03/88/27/383038827.db2.gz YXHDKXSWKIOSGS-VXGBXAGGSA-N 2 0 252.427 2.765 20 0 CFADRP CO[C@H](CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000423076791 383041126 /nfs/dbraw/zinc/04/11/26/383041126.db2.gz ZTZUIMOTJBPYEB-RWMBFGLXSA-N 2 0 296.377 2.854 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCC[C@H]2C[NH3+])c1C ZINC000423082090 383041653 /nfs/dbraw/zinc/04/16/53/383041653.db2.gz DWFGUGWIURCPQG-HOTGVXAUSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423093835 383041853 /nfs/dbraw/zinc/04/18/53/383041853.db2.gz IOVSEENXGHOJOE-MRLCAUJQSA-N 2 0 293.499 2.904 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000423076099 383041896 /nfs/dbraw/zinc/04/18/96/383041896.db2.gz QGWYLSJNDRMSIY-ZTFGCOKTSA-N 2 0 285.435 2.738 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423143192 383045425 /nfs/dbraw/zinc/04/54/25/383045425.db2.gz CNVDLMTXHCLNTO-SCRDCRAPSA-N 2 0 262.422 2.593 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423181775 383047546 /nfs/dbraw/zinc/04/75/46/383047546.db2.gz POASIOPALAWYTR-LBPRGKRZSA-N 2 0 287.176 2.514 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423179229 383047551 /nfs/dbraw/zinc/04/75/51/383047551.db2.gz JHPNKFFALLPLBO-UONOGXRCSA-N 2 0 280.362 2.856 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000423181915 383047984 /nfs/dbraw/zinc/04/79/84/383047984.db2.gz JWEKQEFTLNQJLY-QGZVFWFLSA-N 2 0 260.425 2.985 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)C12CCC2 ZINC000423178912 383048075 /nfs/dbraw/zinc/04/80/75/383048075.db2.gz LFXMRFBRAGQYHH-ZIAGYGMSSA-N 2 0 266.429 2.585 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000338783725 383050977 /nfs/dbraw/zinc/05/09/77/383050977.db2.gz HFLRQADJEXBUKW-JJTUDDRGSA-N 2 0 280.456 2.797 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423267251 383054264 /nfs/dbraw/zinc/05/42/64/383054264.db2.gz CPPHVKUSKSOQND-BOLLXYOYSA-N 2 0 296.455 2.606 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000423391090 383079397 /nfs/dbraw/zinc/07/93/97/383079397.db2.gz PGQRZHYVNXZFPO-IRXDYDNUSA-N 2 0 274.408 2.583 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(C)(C)[NH3+] ZINC000423283870 383055834 /nfs/dbraw/zinc/05/58/34/383055834.db2.gz FSPHGPSDWOYACT-YGRLFVJLSA-N 2 0 250.361 2.776 20 0 CFADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)C[NH3+])CCCO2 ZINC000423300433 383056900 /nfs/dbraw/zinc/05/69/00/383056900.db2.gz RPKCHIAJLPPRLG-XHDPSFHLSA-N 2 0 262.397 2.702 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423301172 383057057 /nfs/dbraw/zinc/05/70/57/383057057.db2.gz SQPVGWZOVVOVSA-GHMZBOCLSA-N 2 0 290.329 2.873 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423322448 383058661 /nfs/dbraw/zinc/05/86/61/383058661.db2.gz HEUACWZZMAJOGF-UONOGXRCSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423392221 383079612 /nfs/dbraw/zinc/07/96/12/383079612.db2.gz LLTADJVHHWZMRF-SIXLDLHFSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423348011 383059165 /nfs/dbraw/zinc/05/91/65/383059165.db2.gz RSDSAQMMKHPLAM-CRAIPNDOSA-N 3 0 291.483 2.539 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423354314 383061405 /nfs/dbraw/zinc/06/14/05/383061405.db2.gz CQTCDFGBRHWBPE-ZBFHGGJFSA-N 2 0 276.449 2.749 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423356110 383062031 /nfs/dbraw/zinc/06/20/31/383062031.db2.gz PZAGPYSKYGTIFA-VXGBXAGGSA-N 2 0 262.319 2.617 20 0 CFADRP COC1(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000579887049 383062831 /nfs/dbraw/zinc/06/28/31/383062831.db2.gz MAGUHLBMDNLVPT-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423363689 383064699 /nfs/dbraw/zinc/06/46/99/383064699.db2.gz ASXWBNWOYPSAER-MRRJBJDNSA-N 2 0 274.408 2.803 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423367356 383066104 /nfs/dbraw/zinc/06/61/04/383066104.db2.gz AFJRRAHXMCRJAT-RYSNWHEDSA-N 2 0 256.459 2.638 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000423369897 383067749 /nfs/dbraw/zinc/06/77/49/383067749.db2.gz CMAJOBUKQWBPTD-PBHICJAKSA-N 2 0 260.425 2.904 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423371279 383068982 /nfs/dbraw/zinc/06/89/82/383068982.db2.gz QCYUXZMVPJJGKH-XUWVNRHRSA-N 2 0 296.455 2.748 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423376822 383070926 /nfs/dbraw/zinc/07/09/26/383070926.db2.gz LGGFCBAUBIPOJL-ZQIUZPCESA-N 2 0 298.434 2.972 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCC2 ZINC000423378778 383072019 /nfs/dbraw/zinc/07/20/19/383072019.db2.gz ZVYPUJYAIOHQEA-SUMWQHHRSA-N 2 0 258.409 2.968 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccs1 ZINC000423379493 383073346 /nfs/dbraw/zinc/07/33/46/383073346.db2.gz CYQXWSGASOMHMG-CYBMUJFWSA-N 2 0 282.453 2.805 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C12CCCCC2 ZINC000423385498 383076480 /nfs/dbraw/zinc/07/64/80/383076480.db2.gz QUVJMLYURSJWOW-YHUYYLMFSA-N 2 0 280.456 2.844 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423030425 383019886 /nfs/dbraw/zinc/01/98/86/383019886.db2.gz JRAGUHDICQPRRV-OLZOCXBDSA-N 2 0 286.341 2.896 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C(C)(C)C ZINC000423028899 383019983 /nfs/dbraw/zinc/01/99/83/383019983.db2.gz HGIWDPGYUDOPPN-RWMBFGLXSA-N 2 0 258.475 2.871 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423032810 383022685 /nfs/dbraw/zinc/02/26/85/383022685.db2.gz NDXARBDBWQGLAI-XJKSGUPXSA-N 2 0 279.403 2.605 20 0 CFADRP C[C@H](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000423034236 383022729 /nfs/dbraw/zinc/02/27/29/383022729.db2.gz PPISWNJMCHUPML-FHLIZLRMSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@@H]([NH2+]CCCNc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423034444 383022760 /nfs/dbraw/zinc/02/27/60/383022760.db2.gz QBNBWUVJGQAHRA-CJNGLKHVSA-N 2 0 279.403 2.748 20 0 CFADRP CS[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036221 383023164 /nfs/dbraw/zinc/02/31/64/383023164.db2.gz SSBDDMCBAZWZOU-XQQFMLRXSA-N 2 0 258.475 2.884 20 0 CFADRP [NH3+]C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000423387122 383077590 /nfs/dbraw/zinc/07/75/90/383077590.db2.gz HNLBXTWVZYBGBD-ZZJWQFMZSA-N 2 0 295.430 2.712 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000423037032 383023543 /nfs/dbraw/zinc/02/35/43/383023543.db2.gz VHFAZECYQIRWPA-RISCZKNCSA-N 2 0 279.453 2.785 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423041660 383025871 /nfs/dbraw/zinc/02/58/71/383025871.db2.gz XPTAOTDJYBVCIR-KCXAZCMYSA-N 2 0 280.387 2.763 20 0 CFADRP C[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710209 383025975 /nfs/dbraw/zinc/02/59/75/383025975.db2.gz NBDPDLNSHYRPMF-OWLYRPNTSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040475 383026149 /nfs/dbraw/zinc/02/61/49/383026149.db2.gz HGHIXENKNVZDJI-HCMIALLCSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040474 383026252 /nfs/dbraw/zinc/02/62/52/383026252.db2.gz HGHIXENKNVZDJI-DNLWUEFJSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423041520 383026713 /nfs/dbraw/zinc/02/67/13/383026713.db2.gz JGODSLMHKOFMMB-YGRLFVJLSA-N 2 0 286.341 2.624 20 0 CFADRP Cc1ccc(SC[C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423044460 383027049 /nfs/dbraw/zinc/02/70/49/383027049.db2.gz AOABMRQXJCRUBR-STQMWFEESA-N 2 0 264.438 2.673 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)CCC[NH3+] ZINC000423043863 383027376 /nfs/dbraw/zinc/02/73/76/383027376.db2.gz AEPVWYSBCNYBQX-HIFRSBDPSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423490321 383119388 /nfs/dbraw/zinc/11/93/88/383119388.db2.gz HTXHTFHHQIIRQG-ZWKOTPCHSA-N 2 0 290.451 2.530 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000423492085 383119579 /nfs/dbraw/zinc/11/95/79/383119579.db2.gz LOCSVHJZLDWBLF-YRGRVCCFSA-N 2 0 262.422 2.941 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000246901748 383119568 /nfs/dbraw/zinc/11/95/68/383119568.db2.gz FJEKRXOBWAJAFI-RBSFLKMASA-N 2 0 280.412 2.820 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000423492864 383119849 /nfs/dbraw/zinc/11/98/49/383119849.db2.gz OWEMLYIWGWEQSL-UMNHJUIQSA-N 2 0 254.324 2.743 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000423492875 383120030 /nfs/dbraw/zinc/12/00/30/383120030.db2.gz OWYGMBOURDSHNI-TUAOUCFPSA-N 2 0 266.360 2.612 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423494555 383120699 /nfs/dbraw/zinc/12/06/99/383120699.db2.gz AUYVHVCRXHNCCV-IRXDYDNUSA-N 2 0 298.434 2.867 20 0 CFADRP Cc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423495996 383121458 /nfs/dbraw/zinc/12/14/58/383121458.db2.gz VPMUURSJNFUABQ-MSOLQXFVSA-N 2 0 288.435 2.804 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423496983 383121756 /nfs/dbraw/zinc/12/17/56/383121756.db2.gz YBKUVDKQYSZEHQ-IJEWVQPXSA-N 2 0 274.408 2.926 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000554307534 383129679 /nfs/dbraw/zinc/12/96/79/383129679.db2.gz BFFJLRLKUQPAPD-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP CC[C@H](O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000339062244 383136233 /nfs/dbraw/zinc/13/62/33/383136233.db2.gz XMNLZWYBNXLOAW-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C ZINC000247085350 383141459 /nfs/dbraw/zinc/14/14/59/383141459.db2.gz REZHTBNGDBIIQM-DZGCQCFKSA-N 2 0 262.397 2.576 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)oc1C ZINC000554560887 383142847 /nfs/dbraw/zinc/14/28/47/383142847.db2.gz ITESQVBJEDBRFR-HNNXBMFYSA-N 2 0 293.455 2.575 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000247095923 383143157 /nfs/dbraw/zinc/14/31/57/383143157.db2.gz RZYJRXYHORLHEO-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423398615 383081890 /nfs/dbraw/zinc/08/18/90/383081890.db2.gz DEBUBTPWCGLOLO-GJZGRUSLSA-N 2 0 270.461 2.807 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1F ZINC000423399756 383083199 /nfs/dbraw/zinc/08/31/99/383083199.db2.gz UYHWNHJQRGATDB-HBNTYKKESA-N 2 0 254.324 2.885 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423402626 383083383 /nfs/dbraw/zinc/08/33/83/383083383.db2.gz YQBTVNRHLCMIHD-VQCLRJIVSA-N 2 0 268.445 2.844 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000423401748 383083391 /nfs/dbraw/zinc/08/33/91/383083391.db2.gz XGFHQKPKVHIQMT-YUELXQCFSA-N 2 0 290.407 2.639 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423405873 383085693 /nfs/dbraw/zinc/08/56/93/383085693.db2.gz UGGBAPLZKIKRNN-JLZZUVOBSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423405874 383085773 /nfs/dbraw/zinc/08/57/73/383085773.db2.gz UGGBAPLZKIKRNN-VUCTXSBTSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423409976 383086849 /nfs/dbraw/zinc/08/68/49/383086849.db2.gz ZHAPEBWGJCYCAP-JCURWCKSSA-N 2 0 274.408 2.660 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC000423408843 383086969 /nfs/dbraw/zinc/08/69/69/383086969.db2.gz PENURDQGPSUFDS-HZPDHXFCSA-N 2 0 282.472 2.807 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCCC1 ZINC000423412740 383087879 /nfs/dbraw/zinc/08/78/79/383087879.db2.gz XIXYKKFGVJVSIH-OAHLLOKOSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000423419730 383090066 /nfs/dbraw/zinc/09/00/66/383090066.db2.gz IZSWTLYAXXLVHF-HZPDHXFCSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000423422340 383090715 /nfs/dbraw/zinc/09/07/15/383090715.db2.gz KYDOVNVNSKWHBT-ZOBUZTSGSA-N 2 0 298.434 2.854 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1O ZINC000423420993 383091174 /nfs/dbraw/zinc/09/11/74/383091174.db2.gz BYLFAWXEJOQOGC-VXGBXAGGSA-N 2 0 266.385 2.569 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423424798 383091943 /nfs/dbraw/zinc/09/19/43/383091943.db2.gz DCTZILNLFPVOFT-RCCFBDPRSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc2c(c1)COC2 ZINC000423431155 383093563 /nfs/dbraw/zinc/09/35/63/383093563.db2.gz LKEJLSCGBBGCQW-QWHCGFSZSA-N 2 0 262.397 2.885 20 0 CFADRP CCCc1cc(NCC[NH+](C)C)c2ccccc2[nH+]1 ZINC000552953058 383094878 /nfs/dbraw/zinc/09/48/78/383094878.db2.gz VPJNUWUMYGGSRW-UHFFFAOYSA-N 2 0 257.381 2.583 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000423441957 383096997 /nfs/dbraw/zinc/09/69/97/383096997.db2.gz BLOSMNAQLBJMLU-CVEARBPZSA-N 2 0 264.413 2.555 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423444756 383099010 /nfs/dbraw/zinc/09/90/10/383099010.db2.gz XFGUUEIBEGSLDB-NHYWBVRUSA-N 2 0 265.376 2.779 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)c1ccc(Cl)cc1 ZINC000423448471 383099799 /nfs/dbraw/zinc/09/97/99/383099799.db2.gz FFEMUROEQCOONH-WDZICOIVSA-N 2 0 264.800 2.639 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000423451176 383100899 /nfs/dbraw/zinc/10/08/99/383100899.db2.gz YAPMQOJCAKHRFW-AFAVFJNCSA-N 2 0 274.408 2.734 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])s1 ZINC000423458151 383102756 /nfs/dbraw/zinc/10/27/56/383102756.db2.gz PUUMNULBNPVKIN-UWVGGRQHSA-N 2 0 255.431 2.792 20 0 CFADRP CC1=CCN(CC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000584452345 383104006 /nfs/dbraw/zinc/10/40/06/383104006.db2.gz NWZZUQOEEIUIHC-UHFFFAOYSA-N 2 0 270.420 2.643 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423464619 383105395 /nfs/dbraw/zinc/10/53/95/383105395.db2.gz MHLXQSPVLKLAPO-YKQCJFHZSA-N 2 0 254.418 2.582 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423473484 383109602 /nfs/dbraw/zinc/10/96/02/383109602.db2.gz HGLCMFZVEIXLRK-KZNAEPCWSA-N 2 0 287.451 2.978 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423473780 383109613 /nfs/dbraw/zinc/10/96/13/383109613.db2.gz ODBOKXGFPVYAGH-MVWJERBFSA-N 2 0 253.415 2.620 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000423473783 383109766 /nfs/dbraw/zinc/10/97/66/383109766.db2.gz ODBOKXGFPVYAGH-ZMLRMANQSA-N 2 0 253.415 2.620 20 0 CFADRP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000423474975 383110416 /nfs/dbraw/zinc/11/04/16/383110416.db2.gz PKAZCMBIXTVJBW-LOWVWBTDSA-N 2 0 297.830 2.912 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474351 383110421 /nfs/dbraw/zinc/11/04/21/383110421.db2.gz OQXPFDCQKCAWEA-RPCCPQHDSA-N 2 0 294.414 2.532 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584540429 383111634 /nfs/dbraw/zinc/11/16/34/383111634.db2.gz YQMIMYYNTPPQND-ROUUACIJSA-N 3 0 289.467 2.886 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3=Cc4ccccc4OC3)CC[C@H]21 ZINC000246850835 383112657 /nfs/dbraw/zinc/11/26/57/383112657.db2.gz SCWOISFSRLJYLR-ZWKOTPCHSA-N 2 0 298.430 2.879 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H](C)C1 ZINC000246862798 383113958 /nfs/dbraw/zinc/11/39/58/383113958.db2.gz CQGRDQBODPTXEM-SWLSCSKDSA-N 2 0 298.377 2.664 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CO2 ZINC000423484441 383115261 /nfs/dbraw/zinc/11/52/61/383115261.db2.gz RDAZGJMLQKVVMA-HZPDHXFCSA-N 2 0 274.408 2.502 20 0 CFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423487262 383116476 /nfs/dbraw/zinc/11/64/76/383116476.db2.gz UAECUDIPICXWGR-LSDHHAIUSA-N 2 0 289.423 2.526 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486423 383116611 /nfs/dbraw/zinc/11/66/11/383116611.db2.gz SQYIWQMQJCXXIO-OWCLPIDISA-N 2 0 290.455 2.568 20 0 CFADRP CC(C)N1CCc2nc(C[NH2+]CC[C@H](C)F)sc2C1 ZINC000339485581 383212802 /nfs/dbraw/zinc/21/28/02/383212802.db2.gz QCRACQDFXUZKMO-NSHDSACASA-N 2 0 285.432 2.747 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449123736 383179760 /nfs/dbraw/zinc/17/97/60/383179760.db2.gz ONQWDFHUVNDUSU-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000566665893 383198771 /nfs/dbraw/zinc/19/87/71/383198771.db2.gz HICAUPUQBLHEBG-OAGGEKHMSA-N 2 0 290.451 2.635 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1F ZINC000248023353 383207571 /nfs/dbraw/zinc/20/75/71/383207571.db2.gz ODYYQDNBMUDHCS-DVOMOZLQSA-N 2 0 264.388 2.952 20 0 CFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000449302756 383208915 /nfs/dbraw/zinc/20/89/15/383208915.db2.gz KSIDCDPKZVHGDE-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248057571 383209737 /nfs/dbraw/zinc/20/97/37/383209737.db2.gz XSFYMUCLLFIACV-HOCLYGCPSA-N 2 0 276.424 2.618 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)c2ccccc2)[C@@H](C)C1 ZINC000247189937 383152224 /nfs/dbraw/zinc/15/22/24/383152224.db2.gz VRZHAIICWAHWMU-BQFCYCMXSA-N 2 0 289.467 2.831 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4cccnc4o3)CC[C@H]21 ZINC000449052251 383154058 /nfs/dbraw/zinc/15/40/58/383154058.db2.gz YUNVAVVNFMYSBT-GOEBONIOSA-N 2 0 285.391 2.744 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CCC[NH+](C)C ZINC000449060366 383155633 /nfs/dbraw/zinc/15/56/33/383155633.db2.gz DDYRQIWVPGUCGS-ZDUSSCGKSA-N 2 0 260.381 2.905 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000519350441 383211152 /nfs/dbraw/zinc/21/11/52/383211152.db2.gz ISLUOMGGYPKSNM-SWLSCSKDSA-N 2 0 279.428 2.734 20 0 CFADRP COCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449065255 383157935 /nfs/dbraw/zinc/15/79/35/383157935.db2.gz SXEKJGUOZYCKRB-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1 ZINC000449076395 383163181 /nfs/dbraw/zinc/16/31/81/383163181.db2.gz HAOPLUQLQFUELY-HNNXBMFYSA-N 2 0 291.439 2.759 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449377455 383247157 /nfs/dbraw/zinc/24/71/57/383247157.db2.gz AFBPPQSRYZUESN-UPJWGTAASA-N 2 0 294.361 2.560 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nccs2)[C@H](C)C1 ZINC000248494492 383250502 /nfs/dbraw/zinc/25/05/02/383250502.db2.gz KKXWLUANLZYEOY-XQQFMLRXSA-N 2 0 267.442 2.567 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000567234902 383254104 /nfs/dbraw/zinc/25/41/04/383254104.db2.gz QKODAVDJOWVMFS-UWVGGRQHSA-N 2 0 294.349 2.570 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000567291375 383260367 /nfs/dbraw/zinc/26/03/67/383260367.db2.gz ZJZNFIBLQONDNE-CVEARBPZSA-N 2 0 299.418 2.863 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000449401197 383265917 /nfs/dbraw/zinc/26/59/17/383265917.db2.gz FUSKUVROHJWHMF-HIFRSBDPSA-N 2 0 270.461 2.900 20 0 CFADRP CC1=CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000520625735 383267967 /nfs/dbraw/zinc/26/79/67/383267967.db2.gz ATCXCGGRAJBJRT-JKSUJKDBSA-N 2 0 278.440 2.576 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)C3)C[C@@H]2C1 ZINC000567442928 383275435 /nfs/dbraw/zinc/27/54/35/383275435.db2.gz CKQBXPUADGDGJX-SOUVJXGZSA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248654500 383278237 /nfs/dbraw/zinc/27/82/37/383278237.db2.gz AADZXIYQECUDOV-JZAWBGDQSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN(C)c1ccccc1 ZINC000422813064 532976582 /nfs/dbraw/zinc/97/65/82/532976582.db2.gz RISMUAXRXBUNSP-VQIMIIECSA-N 2 0 297.446 2.671 20 0 CFADRP CC1CC[NH+](CCC[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000520954715 383279937 /nfs/dbraw/zinc/27/99/37/383279937.db2.gz GCEOPKOQYZWILK-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]1 ZINC000567029018 383234896 /nfs/dbraw/zinc/23/48/96/383234896.db2.gz LOCUDDJIZHBPNS-MFKMUULPSA-N 2 0 254.324 2.854 20 0 CFADRP CCN1C[C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000449360256 383238076 /nfs/dbraw/zinc/23/80/76/383238076.db2.gz HUSOFRKONYNGET-YDHLFZDLSA-N 2 0 276.449 2.806 20 0 CFADRP CO[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000248440200 383243492 /nfs/dbraw/zinc/24/34/92/383243492.db2.gz UPJLIUMMWVBJDG-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000449491428 383329013 /nfs/dbraw/zinc/32/90/13/383329013.db2.gz GVJYCDKHUMLKNH-UPJWGTAASA-N 2 0 260.372 2.742 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000634732191 383333800 /nfs/dbraw/zinc/33/38/00/383333800.db2.gz AJSLZOSKIXRBEM-HNNXBMFYSA-N 2 0 273.424 2.522 20 0 CFADRP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733157 383335062 /nfs/dbraw/zinc/33/50/62/383335062.db2.gz YJXWXSXYUYCSCT-CQSZACIVSA-N 2 0 278.444 2.506 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733274 383335067 /nfs/dbraw/zinc/33/50/67/383335067.db2.gz BKRCZBYLGJKXPK-ZBFHGGJFSA-N 2 0 290.451 2.994 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000634733143 383335582 /nfs/dbraw/zinc/33/55/82/383335582.db2.gz XUUZXPCOHVSLDU-OAHLLOKOSA-N 2 0 299.418 2.808 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734116 383336638 /nfs/dbraw/zinc/33/66/38/383336638.db2.gz XGOLLSGEKWFSPP-HNNXBMFYSA-N 2 0 278.444 2.640 20 0 CFADRP Cc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000339847385 383338021 /nfs/dbraw/zinc/33/80/21/383338021.db2.gz NWXWGQIWGBDBPG-DLBZAZTESA-N 2 0 258.409 2.911 20 0 CFADRP Cc1c[nH+]ccc1NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000425233239 383345106 /nfs/dbraw/zinc/34/51/06/383345106.db2.gz GGKRNZLHEVIQHO-OAHLLOKOSA-N 2 0 296.418 2.844 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000567515966 383283694 /nfs/dbraw/zinc/28/36/94/383283694.db2.gz OZRKWBGNFULPBF-GZBFAFLISA-N 2 0 294.414 2.825 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000459339535 383286391 /nfs/dbraw/zinc/28/63/91/383286391.db2.gz BTMKXZLLDWAZSW-FHERZECASA-N 2 0 268.445 2.606 20 0 CFADRP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000248737127 383286462 /nfs/dbraw/zinc/28/64/62/383286462.db2.gz HNAZTRWMTGSWOY-LAVFITLUSA-N 2 0 288.435 2.979 20 0 CFADRP CC(C)C[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000567588983 383289998 /nfs/dbraw/zinc/28/99/98/383289998.db2.gz RGBBVEJHOUNWPW-OKZBNKHCSA-N 2 0 272.436 2.968 20 0 CFADRP CC(C)[C@]1(CO)CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000339701816 383291314 /nfs/dbraw/zinc/29/13/14/383291314.db2.gz NCYLGMQFLDCFBZ-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc(C3CC3)s1)CC[NH2+]CC2 ZINC000567604581 383291635 /nfs/dbraw/zinc/29/16/35/383291635.db2.gz FFWDXKDDKNWRDB-GFCCVEGCSA-N 2 0 291.464 2.985 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000459734325 383296062 /nfs/dbraw/zinc/29/60/62/383296062.db2.gz GZJYBUSUVRKJRY-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459775951 383297175 /nfs/dbraw/zinc/29/71/75/383297175.db2.gz JSGKYJFRXQMRAN-KLHDSHLOSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC([NH+](C)C)C2)C1 ZINC000521461230 383297688 /nfs/dbraw/zinc/29/76/88/383297688.db2.gz ZGQJRRVQLYLKKY-VFPGXZCRSA-N 2 0 287.451 2.504 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248855472 383298523 /nfs/dbraw/zinc/29/85/23/383298523.db2.gz CXAHVQFBSAYKQY-ZWKOTPCHSA-N 2 0 295.515 2.915 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000567654801 383298692 /nfs/dbraw/zinc/29/86/92/383298692.db2.gz DCBKAMDLTVYCQF-DAXOMENPSA-N 2 0 259.397 2.640 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](O)CC1CCCC1)C[NH+]1CCCCC1 ZINC000567678507 383300570 /nfs/dbraw/zinc/30/05/70/383300570.db2.gz UZSBEIVHMHBRTR-DOTOQJQBSA-N 2 0 282.472 2.639 20 0 CFADRP COc1cc2c(cc1Cl)CN(CCn1ccnc1)CC2 ZINC000339735564 383301943 /nfs/dbraw/zinc/30/19/43/383301943.db2.gz OQFRWEDETOKLRL-UHFFFAOYSA-N 2 0 291.782 2.603 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)O1 ZINC000248880111 383301947 /nfs/dbraw/zinc/30/19/47/383301947.db2.gz GELSBTOPBISYJK-SQNIBIBYSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000248903181 383306304 /nfs/dbraw/zinc/30/63/04/383306304.db2.gz UPUTZNRYVLIPHM-VNQPRFMTSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOC1CCCCCC1 ZINC000567748224 383310420 /nfs/dbraw/zinc/31/04/20/383310420.db2.gz OGTLXPSBDCICOL-ZIAGYGMSSA-N 2 0 254.418 2.537 20 0 CFADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)(C)c1ccccc1 ZINC000567748561 383311715 /nfs/dbraw/zinc/31/17/15/383311715.db2.gz YFWGOFLKBZVQJR-IRXDYDNUSA-N 2 0 292.467 2.645 20 0 CFADRP Cc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc[nH+]1 ZINC000425243020 383348030 /nfs/dbraw/zinc/34/80/30/383348030.db2.gz SMEWRIPYASBYBU-OAHLLOKOSA-N 2 0 296.418 2.844 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000521993055 383319744 /nfs/dbraw/zinc/31/97/44/383319744.db2.gz WQYZXFZLRQXLSS-HOTGVXAUSA-N 2 0 267.461 2.548 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)c2c1 ZINC000634688046 383320089 /nfs/dbraw/zinc/32/00/89/383320089.db2.gz GOKSZMBZHLGMJS-KDOFPFPSSA-N 2 0 281.403 2.809 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)c2ccccc2)[C@@H](C)C1 ZINC000449483199 383323130 /nfs/dbraw/zinc/32/31/30/383323130.db2.gz HEBKQOXIEKHOKW-RYQLBKOJSA-N 2 0 290.451 2.868 20 0 CFADRP C[C@@H]1C[C@@H]1CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000567865306 383323987 /nfs/dbraw/zinc/32/39/87/383323987.db2.gz UKEHXIRDACENAH-OIISXLGYSA-N 2 0 258.409 2.897 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000340242029 383389597 /nfs/dbraw/zinc/38/95/97/383389597.db2.gz WTYRXLHLRZZDHT-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000568321013 383390664 /nfs/dbraw/zinc/39/06/64/383390664.db2.gz WNUVEMGYTVYXJL-IAGOWNOFSA-N 2 0 296.499 2.981 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000251783238 383396105 /nfs/dbraw/zinc/39/61/05/383396105.db2.gz LFNCMWIOTUDRAC-XDNAFOTISA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000478917433 383398714 /nfs/dbraw/zinc/39/87/14/383398714.db2.gz LICFRFRDZIEKGQ-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340276299 383399049 /nfs/dbraw/zinc/39/90/49/383399049.db2.gz GGHBMHKUEIGZNH-MSOLQXFVSA-N 2 0 289.467 2.753 20 0 CFADRP CCC[C@@H]1CN(c2cc[nH+]c(CC)c2)CC[N@@H+]1CCOC ZINC000450416368 383400808 /nfs/dbraw/zinc/40/08/08/383400808.db2.gz GDKSRKHFAACFDG-QGZVFWFLSA-N 2 0 291.439 2.581 20 0 CFADRP CC(C)[NH2+]C1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000340283951 383404090 /nfs/dbraw/zinc/40/40/90/383404090.db2.gz CVSCLKMBJVXBFI-KRWDZBQOSA-N 2 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC23CCCC3)CC1(C)C ZINC000340380015 383416298 /nfs/dbraw/zinc/41/62/98/383416298.db2.gz BZYUXJUGYCGMKT-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccncc1Cl ZINC000568102418 383358542 /nfs/dbraw/zinc/35/85/42/383358542.db2.gz RUNRGGPWWWRLHJ-UWVGGRQHSA-N 2 0 276.771 2.666 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@H]21 ZINC000568149038 383361416 /nfs/dbraw/zinc/36/14/16/383361416.db2.gz XNCVGNILSQJQIO-RTBURBONSA-N 2 0 284.447 2.818 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000449739202 383363133 /nfs/dbraw/zinc/36/31/33/383363133.db2.gz JGBVSSICRNECFX-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449756710 383365030 /nfs/dbraw/zinc/36/50/30/383365030.db2.gz QRDREOPKZKXIGT-HUUCEWRRSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000249987537 383368470 /nfs/dbraw/zinc/36/84/70/383368470.db2.gz NAJQITFYHZHIIB-ZWKOTPCHSA-N 2 0 289.467 2.616 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340177912 383370720 /nfs/dbraw/zinc/37/07/20/383370720.db2.gz VUESJSYJJQHLEW-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250826911 383381116 /nfs/dbraw/zinc/38/11/16/383381116.db2.gz HTTXJGIAWNMLCM-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250833579 383381526 /nfs/dbraw/zinc/38/15/26/383381526.db2.gz JZNUGOIDHZGEJN-RCCFBDPRSA-N 2 0 293.499 2.763 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250969831 383383647 /nfs/dbraw/zinc/38/36/47/383383647.db2.gz DPYRQRSWFMTTAJ-COXVUDFISA-N 2 0 276.399 2.973 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251036578 383384444 /nfs/dbraw/zinc/38/44/44/383384444.db2.gz BLRILDUIRYLUDD-TUKIKUTGSA-N 2 0 250.361 2.946 20 0 CFADRP CCC[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000479968078 383414844 /nfs/dbraw/zinc/41/48/44/383414844.db2.gz YKWOLJAFAPPPDO-ZACQAIPSSA-N 2 0 258.409 2.722 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425551480 383385145 /nfs/dbraw/zinc/38/51/45/383385145.db2.gz JOKPKVRNQGJSQX-SJORKVTESA-N 2 0 292.467 2.752 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340227746 383385367 /nfs/dbraw/zinc/38/53/67/383385367.db2.gz CXLPQSOLVJCQFW-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP CCc1cc(NCc2ccc(CC[NH+](C)C)cc2)cc[nH+]1 ZINC000450470268 383425062 /nfs/dbraw/zinc/42/50/62/383425062.db2.gz RSTMXLRZBFGALY-UHFFFAOYSA-N 2 0 283.419 2.782 20 0 CFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[NH+]1C(C)C ZINC000450478220 383427318 /nfs/dbraw/zinc/42/73/18/383427318.db2.gz DYGYYAHMBIXERV-SQNIBIBYSA-N 2 0 293.499 2.808 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1O ZINC000252674490 383427746 /nfs/dbraw/zinc/42/77/46/383427746.db2.gz RMDRGWHPZJXAMO-CVEARBPZSA-N 2 0 274.408 2.725 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn[nH]c1 ZINC000340470311 383432131 /nfs/dbraw/zinc/43/21/31/383432131.db2.gz OCSSRGSUVGGWEE-ZNMIVQPWSA-N 2 0 278.444 2.818 20 0 CFADRP C(CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)CC[NH+]1CCCC1 ZINC000340473572 383432703 /nfs/dbraw/zinc/43/27/03/383432703.db2.gz LYWQUOJOSBIAOU-BRWVUGGUSA-N 2 0 292.467 2.800 20 0 CFADRP CCc1cc(NCC[N@@H+](CC)CCC(F)(F)F)cc[nH+]1 ZINC000450487500 383433501 /nfs/dbraw/zinc/43/35/01/383433501.db2.gz NAACMKWTRDBAOZ-UHFFFAOYSA-N 2 0 289.345 2.752 20 0 CFADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000340475695 383434753 /nfs/dbraw/zinc/43/47/53/383434753.db2.gz NBKONRLDQYXLML-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)C2CCCCC2)CC1 ZINC000340482379 383437274 /nfs/dbraw/zinc/43/72/74/383437274.db2.gz GBNMGHKCQTZWEP-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](CO)C2CCCCC2)CC1 ZINC000340483015 383438666 /nfs/dbraw/zinc/43/86/66/383438666.db2.gz GZOPHKLRQQCOIS-MRXNPFEDSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C[NH3+] ZINC000253181225 383447186 /nfs/dbraw/zinc/44/71/86/383447186.db2.gz FBQJJDQNKBUQPK-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000253177390 383447270 /nfs/dbraw/zinc/44/72/70/383447270.db2.gz AWMBXMMZRCWZKS-TZMCWYRMSA-N 2 0 258.365 2.850 20 0 CFADRP CC[NH+](CC)CCCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993201 383449927 /nfs/dbraw/zinc/44/99/27/383449927.db2.gz NFGUKYZCVSGHJR-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1oncc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527074900 383450737 /nfs/dbraw/zinc/45/07/37/383450737.db2.gz ZSTLJHDKJYWQDP-UHFFFAOYSA-N 2 0 265.401 2.535 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000340518380 383453281 /nfs/dbraw/zinc/45/32/81/383453281.db2.gz SHNUWMFJZYFNLA-ZIAGYGMSSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@@]1(C)CCCO1)[NH+]1CCCCC1 ZINC000340518731 383453345 /nfs/dbraw/zinc/45/33/45/383453345.db2.gz UZABCHHMQJSNOL-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423255807 532984537 /nfs/dbraw/zinc/98/45/37/532984537.db2.gz CUMQINXUVGQTJB-UONOGXRCSA-N 2 0 292.423 2.744 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998832 383454540 /nfs/dbraw/zinc/45/45/40/383454540.db2.gz LOXUEKNRVGXXEP-DGCLKSJQSA-N 2 0 258.365 2.768 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000340521568 383455213 /nfs/dbraw/zinc/45/52/13/383455213.db2.gz MIXLVQSEFJCCEK-OFLPRAFFSA-N 2 0 290.455 2.514 20 0 CFADRP CCc1cccc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999323 383455560 /nfs/dbraw/zinc/45/55/60/383455560.db2.gz SIHWAPAPVCXCPX-DGCLKSJQSA-N 2 0 266.816 2.929 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002837 383459671 /nfs/dbraw/zinc/45/96/71/383459671.db2.gz AAIFGXFEIVONJU-YUMQZZPRSA-N 2 0 266.332 2.982 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(C)s1 ZINC000635003240 383459890 /nfs/dbraw/zinc/45/98/90/383459890.db2.gz BAOPFGAAKRQPJP-OASPWFOLSA-N 2 0 267.442 2.928 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000635002930 383459916 /nfs/dbraw/zinc/45/99/16/383459916.db2.gz BVOSFQUUGOGECD-DOMZBBRYSA-N 2 0 259.397 2.832 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCC12CC2 ZINC000635005251 383460438 /nfs/dbraw/zinc/46/04/38/383460438.db2.gz SWVMARPDFFDYOA-IMJJTQAJSA-N 2 0 258.409 2.867 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1C[C@@H]1C ZINC000635004458 383460784 /nfs/dbraw/zinc/46/07/84/383460784.db2.gz OSWDCLOFLHZZED-ZLIFDBKOSA-N 2 0 258.409 2.857 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC[C@@H]2CNc3ccccc32)CC1 ZINC000635004593 383461174 /nfs/dbraw/zinc/46/11/74/383461174.db2.gz FOGYDKHKZSDABX-SHARSMKWSA-N 2 0 273.424 2.693 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000635006236 383463033 /nfs/dbraw/zinc/46/30/33/383463033.db2.gz BGASIGMINVQLQW-CQSZACIVSA-N 2 0 298.434 2.961 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000635007186 383463269 /nfs/dbraw/zinc/46/32/69/383463269.db2.gz VDYQTHKOOYDTSH-RBSFLKMASA-N 2 0 278.444 2.502 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1 ZINC000635006769 383463378 /nfs/dbraw/zinc/46/33/78/383463378.db2.gz NMMIXFAZCJDZSB-IHRRRGAJSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006783 383463630 /nfs/dbraw/zinc/46/36/30/383463630.db2.gz NSJBDCKFYPFTKP-IHRRRGAJSA-N 2 0 250.386 2.708 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cncc(F)c1 ZINC000635007813 383464801 /nfs/dbraw/zinc/46/48/01/383464801.db2.gz PKLQDWLEMIAGRQ-CXAGYDPISA-N 2 0 287.382 2.831 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccoc1 ZINC000635009468 383465184 /nfs/dbraw/zinc/46/51/84/383465184.db2.gz VMYGGSWRUYPVNJ-CZUORRHYSA-N 2 0 258.365 2.890 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635010732 383467453 /nfs/dbraw/zinc/46/74/53/383467453.db2.gz AUEHJZSMUAEFOO-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012055 383467861 /nfs/dbraw/zinc/46/78/61/383467861.db2.gz IVORZJKDDCMADS-WFASDCNBSA-N 2 0 257.381 2.646 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)s1 ZINC000635012568 383468337 /nfs/dbraw/zinc/46/83/37/383468337.db2.gz WKWAWGGECDRFAG-NSHDSACASA-N 2 0 287.432 2.948 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000635012166 383468492 /nfs/dbraw/zinc/46/84/92/383468492.db2.gz RMRYJDGEOJHUSH-HZMVEIRTSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCO2 ZINC000635013256 383469078 /nfs/dbraw/zinc/46/90/78/383469078.db2.gz XLMZTGZJGLMMDJ-GXTWGEPZSA-N 2 0 290.407 2.844 20 0 CFADRP CCn1c2ccccc2nc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000569119753 383470469 /nfs/dbraw/zinc/47/04/69/383470469.db2.gz NJVTZOCVGYLHCD-ZDUSSCGKSA-N 2 0 286.423 2.615 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635013889 383470733 /nfs/dbraw/zinc/47/07/33/383470733.db2.gz XEOKDPRRORYTSS-SJORKVTESA-N 2 0 274.408 2.509 20 0 CFADRP Fc1ccc2c(c1F)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000569129004 383471270 /nfs/dbraw/zinc/47/12/70/383471270.db2.gz GMDPWVDFOXJBDV-GFCCVEGCSA-N 2 0 280.362 2.713 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000635016557 383471682 /nfs/dbraw/zinc/47/16/82/383471682.db2.gz CSNKEZJCTYISFE-UHFFFAOYSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635017478 383472971 /nfs/dbraw/zinc/47/29/71/383472971.db2.gz DJXHDUUWQTZUFI-CVEARBPZSA-N 2 0 269.392 2.984 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000635021921 383473994 /nfs/dbraw/zinc/47/39/94/383473994.db2.gz PWJVPOIVVCJPOJ-JYJNAYRXSA-N 2 0 285.435 2.802 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC12CCC(CC1)C2 ZINC000450594659 383474401 /nfs/dbraw/zinc/47/44/01/383474401.db2.gz CWVWAGYBWQEDLL-YZMJHREJSA-N 2 0 292.467 2.750 20 0 CFADRP Cc1scc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1C ZINC000635024442 383475145 /nfs/dbraw/zinc/47/51/45/383475145.db2.gz XZYINJVOHNJXER-YGRLFVJLSA-N 2 0 252.427 2.843 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)o1 ZINC000569228205 383479115 /nfs/dbraw/zinc/47/91/15/383479115.db2.gz MUQNFOPJTVRPDL-HOCLYGCPSA-N 2 0 271.364 2.568 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC000428469695 383480251 /nfs/dbraw/zinc/48/02/51/383480251.db2.gz WBAKVUOGHZBAAQ-OAHLLOKOSA-N 2 0 290.455 2.900 20 0 CFADRP CCc1cc(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc[nH+]1 ZINC000450458012 383418639 /nfs/dbraw/zinc/41/86/39/383418639.db2.gz SZIMUTKTTFWHSB-CVEARBPZSA-N 2 0 291.464 2.660 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000480748609 383420630 /nfs/dbraw/zinc/42/06/30/383420630.db2.gz XSSXWYIGMQPSPY-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc[nH]c(=O)c1 ZINC000340442653 383421186 /nfs/dbraw/zinc/42/11/86/383421186.db2.gz BGCIUNAOGOHAIA-GFCCVEGCSA-N 2 0 277.412 2.701 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cc2)n1 ZINC000261704986 383545119 /nfs/dbraw/zinc/54/51/19/383545119.db2.gz LWVRLPASZJTWSP-SFHVURJKSA-N 2 0 298.434 2.660 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC000341053195 383547004 /nfs/dbraw/zinc/54/70/04/383547004.db2.gz GCOJJUQYWSIHNP-NVXWUHKLSA-N 2 0 298.430 2.947 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000261726141 383547491 /nfs/dbraw/zinc/54/74/91/383547491.db2.gz KVBVPOVFDVKHSH-CYBMUJFWSA-N 2 0 288.313 2.756 20 0 CFADRP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000261716736 383548120 /nfs/dbraw/zinc/54/81/20/383548120.db2.gz FGRKLRXELBCSHK-HUUCEWRRSA-N 2 0 280.460 2.506 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000569918698 383549808 /nfs/dbraw/zinc/54/98/08/383549808.db2.gz HSJWQHSYSKRLTJ-ZDUSSCGKSA-N 2 0 294.439 2.532 20 0 CFADRP Fc1cccc(F)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257641292 383496500 /nfs/dbraw/zinc/49/65/00/383496500.db2.gz AZFQFZVCBCTRGT-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528355199 383499279 /nfs/dbraw/zinc/49/92/79/383499279.db2.gz SSTFMXXYLYVQPY-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261744268 383550747 /nfs/dbraw/zinc/55/07/47/383550747.db2.gz IZIXRMVCSQBLIV-RDJZCZTQSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000261548045 383510130 /nfs/dbraw/zinc/51/01/30/383510130.db2.gz IZVGAZJFLLTGQI-SUNKGSAMSA-N 2 0 252.789 2.989 20 0 CFADRP CC(C)C1CC([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000488494142 383550795 /nfs/dbraw/zinc/55/07/95/383550795.db2.gz VMBBOQDEGWJTSZ-UHFFFAOYSA-N 2 0 291.439 2.546 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000569568152 383514206 /nfs/dbraw/zinc/51/42/06/383514206.db2.gz FZSAGEGBTYFPCI-IAGOWNOFSA-N 2 0 284.488 2.885 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000261590838 383523050 /nfs/dbraw/zinc/52/30/50/383523050.db2.gz LOVWERMJXBKHGH-JKSUJKDBSA-N 2 0 258.409 2.653 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000569662041 383524171 /nfs/dbraw/zinc/52/41/71/383524171.db2.gz WCXKDNIEAXJXFJ-VVLHAWIVSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000569670234 383524718 /nfs/dbraw/zinc/52/47/18/383524718.db2.gz XYEXGKINUDUXQE-GDBMZVCRSA-N 2 0 250.430 2.885 20 0 CFADRP CC1CC[NH+](CCN2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000429377283 383525907 /nfs/dbraw/zinc/52/59/07/383525907.db2.gz CWDNHPWLCZPSHH-QGZVFWFLSA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)C)C2)C1 ZINC000488409554 383531419 /nfs/dbraw/zinc/53/14/19/383531419.db2.gz HEAUVUBPRFZSSC-RBSFLKMASA-N 2 0 270.486 2.838 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261643591 383535028 /nfs/dbraw/zinc/53/50/28/383535028.db2.gz XJQHIUJWSJPSQC-INIZCTEOSA-N 2 0 258.365 2.912 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000261646280 383535098 /nfs/dbraw/zinc/53/50/98/383535098.db2.gz ASFGTFOLEFSADT-NSHDSACASA-N 2 0 293.411 2.996 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000261644342 383535227 /nfs/dbraw/zinc/53/52/27/383535227.db2.gz AODACJLUHNBHKO-DZGCQCFKSA-N 2 0 264.438 2.589 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000261646278 383535499 /nfs/dbraw/zinc/53/54/99/383535499.db2.gz ASFGTFOLEFSADT-LLVKDONJSA-N 2 0 293.411 2.996 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000488434119 383537146 /nfs/dbraw/zinc/53/71/46/383537146.db2.gz OODUBINJVIHVDZ-JKSUJKDBSA-N 2 0 282.497 2.981 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C2CC2)c1 ZINC000261651556 383537499 /nfs/dbraw/zinc/53/74/99/383537499.db2.gz YHCUUAKXZJCEMV-DLBZAZTESA-N 2 0 256.393 2.605 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261656470 383538138 /nfs/dbraw/zinc/53/81/38/383538138.db2.gz BJOUYYUSPRWWFM-NSHDSACASA-N 2 0 265.426 2.581 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000488440143 383539003 /nfs/dbraw/zinc/53/90/03/383539003.db2.gz PRWULAQMTWXSMC-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP COC1(C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)CCC1 ZINC000429515927 383539092 /nfs/dbraw/zinc/53/90/92/383539092.db2.gz KZPKICUWRQZJEP-AWEZNQCLSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000261664752 383539758 /nfs/dbraw/zinc/53/97/58/383539758.db2.gz AFHVRIJZQLDBHD-KBPBESRZSA-N 2 0 289.423 2.594 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261751340 383552251 /nfs/dbraw/zinc/55/22/51/383552251.db2.gz CDQYBNVPSCRSRI-KRWDZBQOSA-N 2 0 290.455 2.736 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CCN1C ZINC000488446254 383541159 /nfs/dbraw/zinc/54/11/59/383541159.db2.gz GUOVHXMNZSLEDS-YIYPIFLZSA-N 2 0 270.486 2.979 20 0 CFADRP C[C@]1(C[NH+]2CCC(c3ccccc3)CC2)CC[NH2+]C1 ZINC000261869337 383572819 /nfs/dbraw/zinc/57/28/19/383572819.db2.gz OLIIWXMZJQJRIL-KRWDZBQOSA-N 2 0 258.409 2.866 20 0 CFADRP Fc1ccccc1[C@@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261899019 383576417 /nfs/dbraw/zinc/57/64/17/383576417.db2.gz YHUHQRGPBZSURF-MRXNPFEDSA-N 2 0 280.362 2.696 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000570162047 383578397 /nfs/dbraw/zinc/57/83/97/383578397.db2.gz DUQKIPLPCROVDC-SFYZADRCSA-N 2 0 266.332 2.982 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc3ccccc3n2)C1 ZINC000570174604 383579285 /nfs/dbraw/zinc/57/92/85/383579285.db2.gz BTJZTHNVDHEACW-ZBFHGGJFSA-N 2 0 269.392 2.637 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261941772 383582965 /nfs/dbraw/zinc/58/29/65/383582965.db2.gz MUBYPTSVWPVUDO-OAHLLOKOSA-N 2 0 298.434 2.566 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261946422 383584202 /nfs/dbraw/zinc/58/42/02/383584202.db2.gz FJADODOWINDLOQ-VXGBXAGGSA-N 2 0 286.379 2.568 20 0 CFADRP C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1 ZINC000261949724 383584826 /nfs/dbraw/zinc/58/48/26/383584826.db2.gz NSZYVNYYVTXQNY-FPMFFAJLSA-N 2 0 264.800 2.595 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261958637 383587546 /nfs/dbraw/zinc/58/75/46/383587546.db2.gz OXATXHXXEGXHRS-AAEUAGOBSA-N 2 0 250.361 2.557 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261964661 383587575 /nfs/dbraw/zinc/58/75/75/383587575.db2.gz AWFGJCHJBKQDPK-ULQDDVLXSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261982397 383590226 /nfs/dbraw/zinc/59/02/26/383590226.db2.gz RNHRCYGSZDJONA-CHWSQXEVSA-N 2 0 250.361 2.600 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000570291924 383591971 /nfs/dbraw/zinc/59/19/71/383591971.db2.gz KKNZKQQIGLIIKZ-AWEZNQCLSA-N 2 0 276.428 2.702 20 0 CFADRP C[N@H+](CC1CC[NH2+]CC1)CC1(c2ccccc2)CC1 ZINC000262011052 383594018 /nfs/dbraw/zinc/59/40/18/383594018.db2.gz VCGUPWMNCQQJCI-UHFFFAOYSA-N 2 0 258.409 2.650 20 0 CFADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000262016302 383594552 /nfs/dbraw/zinc/59/45/52/383594552.db2.gz VSNUKBCVMAGBTO-CQSZACIVSA-N 2 0 286.423 2.546 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430631406 383595110 /nfs/dbraw/zinc/59/51/10/383595110.db2.gz UQJWVKZCPCLYSM-FUHWJXTLSA-N 2 0 290.451 2.838 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000262012517 383595268 /nfs/dbraw/zinc/59/52/68/383595268.db2.gz VGSNEEDFCWNYBP-INIZCTEOSA-N 2 0 299.462 2.818 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000262032178 383597285 /nfs/dbraw/zinc/59/72/85/383597285.db2.gz XGJUVLCWJOLAEU-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH+](C/C=C\C[N@@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000451372608 383601431 /nfs/dbraw/zinc/60/14/31/383601431.db2.gz XSKMYZAETGNHFG-FPLPWBNLSA-N 2 0 296.418 2.597 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000262052695 383601622 /nfs/dbraw/zinc/60/16/22/383601622.db2.gz ZUHIXDUKCZYICQ-UHFFFAOYSA-N 2 0 290.436 2.570 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2ccc3c(n2)CCC3)CC1 ZINC000570415383 383603008 /nfs/dbraw/zinc/60/30/08/383603008.db2.gz TVSJMACTTZEKFS-UHFFFAOYSA-N 2 0 287.451 2.875 20 0 CFADRP Cc1cccc([C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000262097081 383605363 /nfs/dbraw/zinc/60/53/63/383605363.db2.gz VHDSCSVEPCJDEF-IAGOWNOFSA-N 2 0 258.409 2.784 20 0 CFADRP COc1ccc(Cl)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000262116183 383606127 /nfs/dbraw/zinc/60/61/27/383606127.db2.gz LEBSAAKCHYPRST-NSHDSACASA-N 2 0 282.815 2.908 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430923888 383612623 /nfs/dbraw/zinc/61/26/23/383612623.db2.gz HCUYEWDRUDFQPB-HNNXBMFYSA-N 2 0 276.424 2.823 20 0 CFADRP FC(F)(F)c1ccccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261758673 383553739 /nfs/dbraw/zinc/55/37/39/383553739.db2.gz NMHFCZMVRDIOLU-DGCLKSJQSA-N 2 0 284.325 2.747 20 0 CFADRP Cc1ccccc1C[C@@H](C)[N@H+](C)CCn1ccnc1 ZINC000570515055 383610179 /nfs/dbraw/zinc/61/01/79/383610179.db2.gz ZXAYBIBBLCFTQT-OAHLLOKOSA-N 2 0 257.381 2.755 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000261778089 383558360 /nfs/dbraw/zinc/55/83/60/383558360.db2.gz FGURLDYTWWPWFG-SECBINFHSA-N 2 0 258.818 2.961 20 0 CFADRP C[C@@]1(C[N@@H+]2Cc3ccccc3C(C)(C)C2)CC[NH2+]C1 ZINC000261776744 383558621 /nfs/dbraw/zinc/55/86/21/383558621.db2.gz NLOKOMPGCUKKFN-QGZVFWFLSA-N 2 0 258.409 2.779 20 0 CFADRP COc1cc(CN2CC[C@@](C)(C[NH3+])C2)ccc1OC(C)C ZINC000261803221 383563005 /nfs/dbraw/zinc/56/30/05/383563005.db2.gz OFQMDHNPZSRCCX-KRWDZBQOSA-N 2 0 292.423 2.653 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000570035831 383563815 /nfs/dbraw/zinc/56/38/15/383563815.db2.gz ZXYUNRJEFKTTHU-KSSFIOAISA-N 2 0 298.434 2.694 20 0 CFADRP CCCc1csc(CN2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000261807650 383564371 /nfs/dbraw/zinc/56/43/71/383564371.db2.gz HMWVLGKUEPAIDO-RYUDHWBXSA-N 2 0 267.442 2.655 20 0 CFADRP CCCc1csc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000261807653 383564789 /nfs/dbraw/zinc/56/47/89/383564789.db2.gz HMWVLGKUEPAIDO-VXGBXAGGSA-N 2 0 267.442 2.655 20 0 CFADRP C[C@@]1(c2ccccc2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261831609 383567686 /nfs/dbraw/zinc/56/76/86/383567686.db2.gz JCZRJCHYZAESRR-NVXWUHKLSA-N 2 0 258.409 2.650 20 0 CFADRP C[NH2+]C1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000261825128 383567847 /nfs/dbraw/zinc/56/78/47/383567847.db2.gz IPDSNBFOERUIHJ-LBPRGKRZSA-N 2 0 250.361 2.613 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[NH2+]C(C)C ZINC000570918469 383646712 /nfs/dbraw/zinc/64/67/12/383646712.db2.gz ORHWZNSWYAZIQT-AWEZNQCLSA-N 2 0 280.387 2.799 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263174477 383655691 /nfs/dbraw/zinc/65/56/91/383655691.db2.gz GATBUHKALPYSLK-DOTOQJQBSA-N 2 0 289.423 2.594 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430940761 383613952 /nfs/dbraw/zinc/61/39/52/383613952.db2.gz QYWFHJXFTYKVFC-MRXNPFEDSA-N 2 0 268.404 2.924 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCOc2ccccc2C)CC1 ZINC000430943665 383614139 /nfs/dbraw/zinc/61/41/39/383614139.db2.gz JBSHLOKTNBTFAM-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430962393 383616264 /nfs/dbraw/zinc/61/62/64/383616264.db2.gz QDJAPKREINLMHH-JTQLQIEISA-N 2 0 289.206 2.653 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(-c4ccccc4)on3)C[C@@H]21 ZINC000262388632 383620062 /nfs/dbraw/zinc/62/00/62/383620062.db2.gz ZPAYEQWGSVCEDT-HYVNUMGLSA-N 2 0 297.402 2.901 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423093732 533001084 /nfs/dbraw/zinc/00/10/84/533001084.db2.gz AFWKKEOBQGFJBI-GHMZBOCLSA-N 2 0 250.411 2.667 20 0 CFADRP COc1ccc(Cl)c(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000570730110 383629627 /nfs/dbraw/zinc/62/96/27/383629627.db2.gz OVYRLVTUZOOIKJ-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(F)CC2)CC1 ZINC000570745883 383631538 /nfs/dbraw/zinc/63/15/38/383631538.db2.gz HRSCVYUESHCBQU-UHFFFAOYSA-N 2 0 286.435 2.559 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)C1 ZINC000572060148 383750795 /nfs/dbraw/zinc/75/07/95/383750795.db2.gz SCUMJSFTGZPWJP-YVSFHVDLSA-N 2 0 274.408 2.624 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000645807141 383754819 /nfs/dbraw/zinc/75/48/19/383754819.db2.gz BYORBSLIVANXCU-IAGOWNOFSA-N 2 0 280.456 2.753 20 0 CFADRP CCc1ccccc1[C@@H](N)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000572112150 383755611 /nfs/dbraw/zinc/75/56/11/383755611.db2.gz KNOPHXWJUSIRHS-IRXDYDNUSA-N 2 0 298.434 2.650 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645811455 383756862 /nfs/dbraw/zinc/75/68/62/383756862.db2.gz ZXGOWFCCEYABAF-INIZCTEOSA-N 2 0 266.429 2.529 20 0 CFADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000572120904 383756954 /nfs/dbraw/zinc/75/69/54/383756954.db2.gz GLLYZOHLZUWRDX-AWEZNQCLSA-N 2 0 299.418 2.804 20 0 CFADRP CC(C)[NH2+]C1CCN(CCc2c(F)cccc2F)CC1 ZINC000645827177 383761794 /nfs/dbraw/zinc/76/17/94/383761794.db2.gz FSDGENIVCAQBJY-UHFFFAOYSA-N 2 0 282.378 2.970 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccncc2)C1 ZINC000453098230 383765198 /nfs/dbraw/zinc/76/51/98/383765198.db2.gz PSKVQJODUGZANS-GDBMZVCRSA-N 2 0 261.413 2.854 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000453105099 383766946 /nfs/dbraw/zinc/76/69/46/383766946.db2.gz GTGICQKHYJDBJQ-DZGCQCFKSA-N 2 0 276.428 2.601 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453120256 383773906 /nfs/dbraw/zinc/77/39/06/383773906.db2.gz CPWAPGUFXUJDKP-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453120258 383773977 /nfs/dbraw/zinc/77/39/77/383773977.db2.gz CPWAPGUFXUJDKP-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP CN(CCC[N@H+](C)C/C=C/c1ccccc1)CC[NH+](C)C ZINC000571126399 383666437 /nfs/dbraw/zinc/66/64/37/383666437.db2.gz FWINBOWXZANHTO-XYOKQWHBSA-N 2 0 289.467 2.515 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](CCCC(C)(C)C)CC1 ZINC000571175943 383672093 /nfs/dbraw/zinc/67/20/93/383672093.db2.gz OTGOMGOZLJQARJ-UHFFFAOYSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H](c1cnccn1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532455 383818085 /nfs/dbraw/zinc/81/80/85/383818085.db2.gz DOLPZGDLTBBOTB-HNNXBMFYSA-N 2 0 276.428 2.736 20 0 CFADRP CN(CCCC[NH+]1CCCCC1)Cc1nccs1 ZINC000640532125 383818140 /nfs/dbraw/zinc/81/81/40/383818140.db2.gz AARPTLJHMNRZPT-UHFFFAOYSA-N 2 0 267.442 2.841 20 0 CFADRP COc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)ccn1 ZINC000640532307 383818606 /nfs/dbraw/zinc/81/86/06/383818606.db2.gz DAPNFWIYGVERLF-UHFFFAOYSA-N 2 0 291.439 2.788 20 0 CFADRP COc1cncc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640533195 383819781 /nfs/dbraw/zinc/81/97/81/383819781.db2.gz DWZXNGGCIDDTHQ-UHFFFAOYSA-N 2 0 291.439 2.788 20 0 CFADRP COc1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000436250783 383792263 /nfs/dbraw/zinc/79/22/63/383792263.db2.gz YWSLOAHNNAQTOP-CQSZACIVSA-N 2 0 279.428 2.546 20 0 CFADRP COCCC1(C[NH2+]CCCC[NH+](C)C)CCCCC1 ZINC000436273982 383798035 /nfs/dbraw/zinc/79/80/35/383798035.db2.gz KWHDYWXGVAFOBH-UHFFFAOYSA-N 2 0 270.461 2.905 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H]3CN(C)C[C@H]3C)c[nH]c21 ZINC000531716057 383909396 /nfs/dbraw/zinc/90/93/96/383909396.db2.gz WELOKDUVDRNZMS-DYVFJYSZSA-N 2 0 285.435 2.813 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H]3CN(C)C[C@H]3C)c[nH]c21 ZINC000531716056 383909870 /nfs/dbraw/zinc/90/98/70/383909870.db2.gz WELOKDUVDRNZMS-CXAGYDPISA-N 2 0 285.435 2.813 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3nc4c(s3)CCC4)C2)C1 ZINC000646243233 383928422 /nfs/dbraw/zinc/92/84/22/383928422.db2.gz DJGYFILXKSWSHH-MRXNPFEDSA-N 2 0 291.464 2.550 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3nc4c(s3)CCC4)C2)C1 ZINC000646243232 383928544 /nfs/dbraw/zinc/92/85/44/383928544.db2.gz DJGYFILXKSWSHH-INIZCTEOSA-N 2 0 291.464 2.550 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000573445657 383929922 /nfs/dbraw/zinc/92/99/22/383929922.db2.gz PCRQMKWYKWQUOX-RKDXNWHRSA-N 2 0 289.192 2.804 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000422757237 533020048 /nfs/dbraw/zinc/02/00/48/533020048.db2.gz HPMFZYNDXNVYMF-BZSNNMDCSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000573197901 383887728 /nfs/dbraw/zinc/88/77/28/383887728.db2.gz LJWURVZFJZKVRL-HZSPNIEDSA-N 2 0 250.386 2.708 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000531614373 383898399 /nfs/dbraw/zinc/89/83/99/383898399.db2.gz QUARFEIDWXTBER-SFHVURJKSA-N 3 0 295.515 2.913 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000423180968 533020920 /nfs/dbraw/zinc/02/09/20/533020920.db2.gz LAONSDGUUWRRGI-IHRRRGAJSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000532206077 383991676 /nfs/dbraw/zinc/99/16/76/383991676.db2.gz YGTZEFRCPXPMCO-HIFRSBDPSA-N 2 0 296.842 2.957 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CCOCC1 ZINC000532214757 383993455 /nfs/dbraw/zinc/99/34/55/383993455.db2.gz LBFXBQXHOLMJFN-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ncn(CCc2nc3ccccc3n2C)c1C ZINC000265526369 383939449 /nfs/dbraw/zinc/93/94/49/383939449.db2.gz SQKQGULBEPXWOL-UHFFFAOYSA-N 2 0 254.337 2.629 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000531936468 383942857 /nfs/dbraw/zinc/94/28/57/383942857.db2.gz KPCLJKDWNWQEJJ-CRAIPNDOSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438088974 383945406 /nfs/dbraw/zinc/94/54/06/383945406.db2.gz SJQAYQHSTWDSNE-BRWVUGGUSA-N 2 0 282.472 2.761 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000573545452 383946065 /nfs/dbraw/zinc/94/60/65/383946065.db2.gz DTKOXTCMSGCZLM-GDBMZVCRSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000531962866 383948231 /nfs/dbraw/zinc/94/82/31/383948231.db2.gz ARWLZHJUBOHEDY-QWHCGFSZSA-N 2 0 289.423 2.562 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)C1CCOCC1 ZINC000531975366 383951318 /nfs/dbraw/zinc/95/13/18/383951318.db2.gz YRSOJDNQLOXKBY-NVXWUHKLSA-N 2 0 280.456 2.798 20 0 CFADRP COC1CCN(C(C)(C)C[NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000531975479 383951532 /nfs/dbraw/zinc/95/15/32/383951532.db2.gz MWCRLMHOTNLPHO-MRXNPFEDSA-N 2 0 282.472 2.900 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420303370 533024488 /nfs/dbraw/zinc/02/44/88/533024488.db2.gz NDMWYPRKDFAGQR-GDBMZVCRSA-N 2 0 274.408 2.832 20 0 CFADRP CCC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532442212 384028361 /nfs/dbraw/zinc/02/83/61/384028361.db2.gz KOHXTIKISDLHGH-LSDHHAIUSA-N 2 0 295.496 2.815 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000532440993 384028685 /nfs/dbraw/zinc/02/86/85/384028685.db2.gz KTRDRCRBBUMQDN-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000574031778 384032512 /nfs/dbraw/zinc/03/25/12/384032512.db2.gz ZQMIDTMXSNUGMX-OAGGEKHMSA-N 2 0 262.397 2.641 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000070356427 412974502 /nfs/dbraw/zinc/97/45/02/412974502.db2.gz LHNBAJPFFWSLFY-HNNXBMFYSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2cccnc2)C1 ZINC000574200086 384061478 /nfs/dbraw/zinc/06/14/78/384061478.db2.gz JRFLIRZOHIOLQT-IRXDYDNUSA-N 2 0 273.424 2.745 20 0 CFADRP CN(CC[NH2+][C@H](CO)C1CCCCC1)Cc1ccccc1 ZINC000574519861 384109293 /nfs/dbraw/zinc/10/92/93/384109293.db2.gz SXSDWUVAANBIIE-GOSISDBHSA-N 2 0 290.451 2.649 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000574563023 384114730 /nfs/dbraw/zinc/11/47/30/384114730.db2.gz KRVPEWMQLMBXOY-OCCSQVGLSA-N 2 0 296.842 2.869 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000574563018 384115448 /nfs/dbraw/zinc/11/54/48/384115448.db2.gz KRVPEWMQLMBXOY-GXTWGEPZSA-N 2 0 296.842 2.869 20 0 CFADRP C(C[NH2+]C1CC[NH+](CC2CC2)CC1)CC1CCOCC1 ZINC000574856300 384154567 /nfs/dbraw/zinc/15/45/67/384154567.db2.gz GAVALFLKLLULPL-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000261573975 285083418 /nfs/dbraw/zinc/08/34/18/285083418.db2.gz WLIMPVGRNCXAHI-KGLIPLIRSA-N 2 0 262.397 2.775 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000574911167 384162056 /nfs/dbraw/zinc/16/20/56/384162056.db2.gz KHQVXXPZOACGHD-KALAOPPPSA-N 2 0 299.418 2.566 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(OC)cc2)C1 ZINC000266599471 384206244 /nfs/dbraw/zinc/20/62/44/384206244.db2.gz CSKYIGVHOYMRKJ-MRXNPFEDSA-N 2 0 276.424 2.511 20 0 CFADRP CC[N@H+](Cc1cc(C)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435387774 285095200 /nfs/dbraw/zinc/09/52/00/285095200.db2.gz BNMVXMRDANTVCA-INIZCTEOSA-N 2 0 276.424 2.968 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccns2)CC1 ZINC000637905275 384264619 /nfs/dbraw/zinc/26/46/19/384264619.db2.gz KEALILNQPVSYPN-UHFFFAOYSA-N 2 0 267.442 2.697 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000641741688 384307531 /nfs/dbraw/zinc/30/75/31/384307531.db2.gz PDJMPADBACOQBB-CYGHRXIMSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)sn1 ZINC000637965808 384312282 /nfs/dbraw/zinc/31/22/82/384312282.db2.gz VLSHMLCHCKLLFB-UHFFFAOYSA-N 2 0 267.442 2.615 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)OC ZINC000637965462 384313227 /nfs/dbraw/zinc/31/32/27/384313227.db2.gz RYBQDEKHFBCCII-HOCLYGCPSA-N 2 0 270.461 2.711 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281124694 195114169 /nfs/dbraw/zinc/11/41/69/195114169.db2.gz DLAGFQJBDNIVCJ-MLGOLLRUSA-N 2 0 277.387 2.603 20 0 CFADRP CC(=O)Nc1ccccc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277502592 384320814 /nfs/dbraw/zinc/32/08/14/384320814.db2.gz OBRLOIXZNJCSEC-INIZCTEOSA-N 2 0 289.423 2.561 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641716597 384287896 /nfs/dbraw/zinc/28/78/96/384287896.db2.gz NBNJWZDLAZRXHY-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641716595 384287975 /nfs/dbraw/zinc/28/79/75/384287975.db2.gz NBNJWZDLAZRXHY-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CSc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000641717848 384288925 /nfs/dbraw/zinc/28/89/25/384288925.db2.gz QYYIBQIMBSEBSG-UHFFFAOYSA-N 2 0 268.426 2.823 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000277559764 384338400 /nfs/dbraw/zinc/33/84/00/384338400.db2.gz AEJXDNWFVZAMNV-HNNXBMFYSA-N 2 0 260.425 2.675 20 0 CFADRP CC[NH+](CC)CC[C@H](CO)NC/C=C\c1ccc(F)cc1 ZINC000641772317 384338727 /nfs/dbraw/zinc/33/87/27/384338727.db2.gz OXAZIDHQPDHETM-KEGWNNHHSA-N 2 0 294.414 2.521 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCCOc1ccc(Cl)cc1 ZINC000641805403 384373926 /nfs/dbraw/zinc/37/39/26/384373926.db2.gz NUGNGAVSJQPYNR-KBPBESRZSA-N 2 0 282.815 2.824 20 0 CFADRP CSc1ccccc1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423337074 533057026 /nfs/dbraw/zinc/05/70/26/533057026.db2.gz ACODVFZNYLCZOD-GFCCVEGCSA-N 2 0 262.422 2.979 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000641797826 384362420 /nfs/dbraw/zinc/36/24/20/384362420.db2.gz JDOSZTCCOJKPKW-OCCSQVGLSA-N 2 0 285.391 2.819 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000641797824 384362978 /nfs/dbraw/zinc/36/29/78/384362978.db2.gz JDOSZTCCOJKPKW-GXTWGEPZSA-N 2 0 285.391 2.819 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798101 384364373 /nfs/dbraw/zinc/36/43/73/384364373.db2.gz HHWUYQRXHZOJBD-YESZJQIVSA-N 2 0 292.467 2.800 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000641798223 384365500 /nfs/dbraw/zinc/36/55/00/384365500.db2.gz IYERVMHGPZCSHJ-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000641799492 384367389 /nfs/dbraw/zinc/36/73/89/384367389.db2.gz PUTUXSUVESEGFX-LSDHHAIUSA-N 2 0 291.439 2.757 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000641802406 384371611 /nfs/dbraw/zinc/37/16/11/384371611.db2.gz KLKXOXXJWFABRW-RYUDHWBXSA-N 2 0 254.324 2.840 20 0 CFADRP C(C[C@@H]1CCO1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104291 384418902 /nfs/dbraw/zinc/41/89/02/384418902.db2.gz GDTOTUGPBXZFJT-JKSUJKDBSA-N 2 0 266.429 2.506 20 0 CFADRP CCC[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000638105301 384419191 /nfs/dbraw/zinc/41/91/91/384419191.db2.gz RBOHFYZHUZVSLQ-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1cccc(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277701323 384380362 /nfs/dbraw/zinc/38/03/62/384380362.db2.gz IAMYSXKYNRNMPK-KRWDZBQOSA-N 2 0 290.451 2.894 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(F)c1 ZINC000638061413 384387939 /nfs/dbraw/zinc/38/79/39/384387939.db2.gz FYGHHGHBUTTYSV-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000638123302 384435347 /nfs/dbraw/zinc/43/53/47/384435347.db2.gz QETRIBVBNFHLMQ-YESZJQIVSA-N 2 0 282.472 2.855 20 0 CFADRP CO[C@@](C)(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000638124683 384437296 /nfs/dbraw/zinc/43/72/96/384437296.db2.gz UKFSWOKRDSCYBV-WBVHZDCISA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)OC ZINC000638124280 384438211 /nfs/dbraw/zinc/43/82/11/384438211.db2.gz VHWALFMZQRCYST-HRCADAONSA-N 2 0 270.461 2.711 20 0 CFADRP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278039580 384463707 /nfs/dbraw/zinc/46/37/07/384463707.db2.gz XJADCSFCFMDDEX-MRXNPFEDSA-N 2 0 276.424 2.586 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCSCC3)CC[C@@H]21 ZINC000638177681 384471793 /nfs/dbraw/zinc/47/17/93/384471793.db2.gz LWFJVEFKAWRFAA-GJZGRUSLSA-N 2 0 268.470 2.546 20 0 CFADRP CCCc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000643017569 384476997 /nfs/dbraw/zinc/47/69/97/384476997.db2.gz LFVFMVKTGZPPGJ-UGSOOPFHSA-N 2 0 299.418 2.740 20 0 CFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643031022 384479178 /nfs/dbraw/zinc/47/91/78/384479178.db2.gz FXRCFMKCEXQUET-NHYWBVRUSA-N 2 0 271.339 2.562 20 0 CFADRP Fc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000638186487 384479571 /nfs/dbraw/zinc/47/95/71/384479571.db2.gz VEMXHNYAIQWVFD-KBPBESRZSA-N 2 0 270.351 2.630 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643030968 384479783 /nfs/dbraw/zinc/47/97/83/384479783.db2.gz DESNRMIYABQJTF-CZUORRHYSA-N 2 0 267.376 2.731 20 0 CFADRP c1cc2c(s1)CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000643057887 384487716 /nfs/dbraw/zinc/48/77/16/384487716.db2.gz VBPJTVJZPSMOJF-CYBMUJFWSA-N 2 0 264.438 2.886 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000643057137 384488012 /nfs/dbraw/zinc/48/80/12/384488012.db2.gz FGPOVMWKQVCQFI-YOEHRIQHSA-N 2 0 274.408 2.919 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1cccc2[nH]ccc21 ZINC000289388383 197323977 /nfs/dbraw/zinc/32/39/77/197323977.db2.gz DMWJSLNWZIOYFV-UHFFFAOYSA-N 2 0 259.397 2.942 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000638310865 384549475 /nfs/dbraw/zinc/54/94/75/384549475.db2.gz VXHZMOJUKIDIKQ-GOSISDBHSA-N 2 0 288.435 2.941 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]CCC[C@H]1CCO1 ZINC000638310866 384549598 /nfs/dbraw/zinc/54/95/98/384549598.db2.gz VXHZMOJUKIDIKQ-SFHVURJKSA-N 2 0 288.435 2.941 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289336897 197302349 /nfs/dbraw/zinc/30/23/49/197302349.db2.gz WJKNYIWECDISFJ-WFASDCNBSA-N 2 0 292.398 2.753 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289336888 197302183 /nfs/dbraw/zinc/30/21/83/197302183.db2.gz WJKNYIWECDISFJ-DOMZBBRYSA-N 2 0 292.398 2.753 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H]1C ZINC000638299651 384541298 /nfs/dbraw/zinc/54/12/98/384541298.db2.gz KSKWSSNNUMMSFW-IJEWVQPXSA-N 2 0 282.472 2.636 20 0 CFADRP Cn1c(C[NH2+]CC(C)(C)C[NH+](C)C)cc2ccccc21 ZINC000638299766 384541316 /nfs/dbraw/zinc/54/13/16/384541316.db2.gz LLKRYYPULWFJMQ-UHFFFAOYSA-N 2 0 273.424 2.856 20 0 CFADRP COc1cccc(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638360573 384584751 /nfs/dbraw/zinc/58/47/51/384584751.db2.gz WJVWBZHYNOVRGZ-CQSZACIVSA-N 2 0 274.408 2.578 20 0 CFADRP CC(C)[C@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCC(C)CC1 ZINC000638361321 384584937 /nfs/dbraw/zinc/58/49/37/384584937.db2.gz MHLPHIWEJJEPNG-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC2CCOCC2)C1 ZINC000638366128 384591156 /nfs/dbraw/zinc/59/11/56/384591156.db2.gz LNIHSTKBDLNGMA-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP C[C@@H](C[NH2+]CC1CCSCC1)N1CCC[C@H](C)C1 ZINC000638364179 384589322 /nfs/dbraw/zinc/58/93/22/384589322.db2.gz WULFATYZZFIQBF-KBPBESRZSA-N 2 0 270.486 2.840 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000638412391 384633757 /nfs/dbraw/zinc/63/37/57/384633757.db2.gz OWAMRRGRDHXQIS-ZACQAIPSSA-N 2 0 280.456 2.558 20 0 CFADRP c1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc(C2CC2)c1 ZINC000643427029 384630277 /nfs/dbraw/zinc/63/02/77/384630277.db2.gz AQHCLQMRPFRNOU-INIZCTEOSA-N 2 0 256.393 2.796 20 0 CFADRP CO[C@H](C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000638369343 384594917 /nfs/dbraw/zinc/59/49/17/384594917.db2.gz GISVHHYWJIZAKI-YQQAZPJKSA-N 2 0 282.472 2.759 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000643497488 384662849 /nfs/dbraw/zinc/66/28/49/384662849.db2.gz YLKZCKROJZOWCJ-GOSISDBHSA-N 2 0 299.393 2.899 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000643497639 384663278 /nfs/dbraw/zinc/66/32/78/384663278.db2.gz LCEZVCMUUPDPCD-INIZCTEOSA-N 2 0 262.372 2.792 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000643498785 384663583 /nfs/dbraw/zinc/66/35/83/384663583.db2.gz VOSGCQCYYALESC-KGLIPLIRSA-N 2 0 254.418 2.585 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497687 384663624 /nfs/dbraw/zinc/66/36/24/384663624.db2.gz REKWYBBPCJGTLS-CYBMUJFWSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000643503348 384671863 /nfs/dbraw/zinc/67/18/63/384671863.db2.gz AOFFWRYGSZIWIH-SNPRPXQTSA-N 2 0 261.413 2.737 20 0 CFADRP COc1ccc2[nH]cc(CC[NH2+][C@H](C)CCCC[NH3+])c2c1 ZINC000643453699 384635015 /nfs/dbraw/zinc/63/50/15/384635015.db2.gz SXFPCSNFNCYUAY-CYBMUJFWSA-N 2 0 289.423 2.826 20 0 CFADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC1CCOCC1 ZINC000638416686 384639112 /nfs/dbraw/zinc/63/91/12/384639112.db2.gz CLWNMFDIBDHUAL-XHSDSOJGSA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643459404 384639139 /nfs/dbraw/zinc/63/91/39/384639139.db2.gz ZBPZDGRIWSHNHK-YCPHGPKFSA-N 2 0 276.424 2.919 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccccc2Cn2ccnc2)CC1 ZINC000643459177 384639445 /nfs/dbraw/zinc/63/94/45/384639445.db2.gz QEZMTHUVPAYLMY-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(Cn3ccnc3)c2)CC1 ZINC000643459980 384641895 /nfs/dbraw/zinc/64/18/95/384641895.db2.gz FXZZFHAFPOUGFH-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643462011 384643007 /nfs/dbraw/zinc/64/30/07/384643007.db2.gz RAMAIYUZPRQGQH-LVQVYYBASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462854 384644675 /nfs/dbraw/zinc/64/46/75/384644675.db2.gz NAFJGIBPUIEOAM-TZMCWYRMSA-N 2 0 297.393 2.651 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000643466776 384645942 /nfs/dbraw/zinc/64/59/42/384645942.db2.gz MXGYVXZZCHUPJG-ZNMIVQPWSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])[C@H]1CCCCO1 ZINC000643466862 384646300 /nfs/dbraw/zinc/64/63/00/384646300.db2.gz VNUZGCSCGMXCQR-RBSFLKMASA-N 2 0 268.445 2.831 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2COc3c2cccc3Cl)CC1 ZINC000643466633 384646630 /nfs/dbraw/zinc/64/66/30/384646630.db2.gz JVJMTILRRXAWIQ-QIMFLAQGSA-N 2 0 280.799 2.881 20 0 CFADRP CCCC[NH+]1CCC([NH2+]CC2(COC)CCC2)CC1 ZINC000638428734 384647792 /nfs/dbraw/zinc/64/77/92/384647792.db2.gz AKGDPXYHFZAPBA-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000643467792 384648569 /nfs/dbraw/zinc/64/85/69/384648569.db2.gz KWMDKOVEGNFRNC-DZGCQCFKSA-N 2 0 290.407 2.641 20 0 CFADRP COc1cccc(C2([NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000643469078 384650134 /nfs/dbraw/zinc/65/01/34/384650134.db2.gz BFBIUURYTIEMCV-ZIAGYGMSSA-N 2 0 274.408 2.662 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1OC(F)F ZINC000643469640 384650551 /nfs/dbraw/zinc/65/05/51/384650551.db2.gz UBFKBDAIPHVXKV-ZJUUUORDSA-N 2 0 288.338 2.512 20 0 CFADRP CCC1(O)CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000643474168 384652508 /nfs/dbraw/zinc/65/25/08/384652508.db2.gz LLZSSPYCIPIQAM-CCGTUFIJSA-N 2 0 290.451 2.618 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643478103 384654483 /nfs/dbraw/zinc/65/44/83/384654483.db2.gz ZVQUNYFNRJJCRL-COXVUDFISA-N 2 0 258.409 2.509 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638440150 384657499 /nfs/dbraw/zinc/65/74/99/384657499.db2.gz ZVWFEOADBDYHTK-FOLVSLTJSA-N 2 0 282.472 2.636 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000643493733 384660680 /nfs/dbraw/zinc/66/06/80/384660680.db2.gz GFWRFLZYNIZXQI-HDMKZQKVSA-N 2 0 290.451 2.994 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000643493744 384662033 /nfs/dbraw/zinc/66/20/33/384662033.db2.gz HRWNUCPLIVYASZ-IAOVAPTHSA-N 2 0 276.424 2.733 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000643493735 384662194 /nfs/dbraw/zinc/66/21/94/384662194.db2.gz GFWRFLZYNIZXQI-MPGHIAIKSA-N 2 0 290.451 2.994 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C3(CCC3)C1)CC2 ZINC000643546879 384724744 /nfs/dbraw/zinc/72/47/44/384724744.db2.gz WBZXPOUBVUZLAL-WMLDXEAASA-N 2 0 286.419 2.947 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546286 384725040 /nfs/dbraw/zinc/72/50/40/384725040.db2.gz LYEWTWZLDZNTJT-CHWSQXEVSA-N 2 0 264.438 2.943 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)C12CCCC2 ZINC000643508279 384680199 /nfs/dbraw/zinc/68/01/99/384680199.db2.gz ANWBKSDEPGEDKT-HUUCEWRRSA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1F ZINC000643508435 384681081 /nfs/dbraw/zinc/68/10/81/384681081.db2.gz INFXKXFIVIEHAB-CYBMUJFWSA-N 2 0 252.377 2.734 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000643512160 384683004 /nfs/dbraw/zinc/68/30/04/384683004.db2.gz WTLRAUVKNOQLES-SQWLQELKSA-N 2 0 261.413 2.867 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000643518509 384684048 /nfs/dbraw/zinc/68/40/48/384684048.db2.gz REVXWHFWKJBKJE-GXTWGEPZSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)n1 ZINC000643518119 384684674 /nfs/dbraw/zinc/68/46/74/384684674.db2.gz KLGJNMKXSVCDSI-ZDUSSCGKSA-N 2 0 261.413 2.739 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCC[NH2+]C1 ZINC000643518378 384684794 /nfs/dbraw/zinc/68/47/94/384684794.db2.gz AXFVAOJTCSEXBC-CVEARBPZSA-N 2 0 280.362 2.931 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)C1CC[NH+](C)CC1 ZINC000643513874 384685151 /nfs/dbraw/zinc/68/51/51/384685151.db2.gz FCWUGHUQDNGDRL-UONOGXRCSA-N 3 0 275.440 2.526 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCS2 ZINC000643522544 384689438 /nfs/dbraw/zinc/68/94/38/384689438.db2.gz OYWNKZRHVOKWLB-IUODEOHRSA-N 2 0 292.448 2.964 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522655 384689638 /nfs/dbraw/zinc/68/96/38/384689638.db2.gz QZUBVZQIFDTRBN-ROUUACIJSA-N 2 0 290.451 2.960 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643523233 384691596 /nfs/dbraw/zinc/69/15/96/384691596.db2.gz YCDKXYQJVCJQRN-RYUDHWBXSA-N 2 0 279.453 2.815 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000643524209 384693570 /nfs/dbraw/zinc/69/35/70/384693570.db2.gz VVBZDQBOAHFZLF-ZENOOKHLSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000643524792 384693685 /nfs/dbraw/zinc/69/36/85/384693685.db2.gz IILJADBOQFYAJF-TURNYIBQSA-N 2 0 266.335 2.540 20 0 CFADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)[NH3+] ZINC000643526784 384696382 /nfs/dbraw/zinc/69/63/82/384696382.db2.gz GJHUEDATXJZYBR-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000643529885 384703249 /nfs/dbraw/zinc/70/32/49/384703249.db2.gz UEJZQSNURMMSIZ-JKOKRWQUSA-N 2 0 252.789 2.913 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000643533934 384705279 /nfs/dbraw/zinc/70/52/79/384705279.db2.gz IGVKSBPJLLZDHI-AAEUAGOBSA-N 2 0 250.411 2.849 20 0 CFADRP CC(C)C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534899 384707656 /nfs/dbraw/zinc/70/76/56/384707656.db2.gz FMGHFABSFMEQAW-CVEARBPZSA-N 2 0 273.424 2.901 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534777 384707950 /nfs/dbraw/zinc/70/79/50/384707950.db2.gz CKPXDXXYWVGPPM-GXTWGEPZSA-N 2 0 264.438 2.801 20 0 CFADRP FC(F)C1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000643535752 384709098 /nfs/dbraw/zinc/70/90/98/384709098.db2.gz IMVJQFYWXVFVAK-MCIGGMRASA-N 2 0 258.356 2.542 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1C(C)(C)C ZINC000643535141 384709647 /nfs/dbraw/zinc/70/96/47/384709647.db2.gz JMVBMZYUEDPBNE-WFASDCNBSA-N 2 0 290.455 2.739 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643536528 384712002 /nfs/dbraw/zinc/71/20/02/384712002.db2.gz UPLNDCUMDGQJOP-RDJZCZTQSA-N 2 0 286.419 2.940 20 0 CFADRP CC(C)CC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536965 384713692 /nfs/dbraw/zinc/71/36/92/384713692.db2.gz ZLHMXGMPEUJIIC-HUUCEWRRSA-N 2 0 250.430 2.933 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000643536988 384714479 /nfs/dbraw/zinc/71/44/79/384714479.db2.gz ZTZANWMEHNSPKJ-ZWNOBZJWSA-N 2 0 295.814 2.536 20 0 CFADRP CC[C@@](C)(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)OC ZINC000638602325 384775537 /nfs/dbraw/zinc/77/55/37/384775537.db2.gz BQGXQLJDNSMWGF-HIFRSBDPSA-N 2 0 258.450 2.758 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C1CC(n2cccn2)C1)C(C)(C)C ZINC000638604674 384777073 /nfs/dbraw/zinc/77/70/73/384777073.db2.gz LNGJANVDUGRIBK-NRXISQOPSA-N 2 0 278.444 2.543 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]CCC[C@H]1CCO1)C(C)(C)C ZINC000638605323 384777157 /nfs/dbraw/zinc/77/71/57/384777157.db2.gz PUZQDBSNXMIJNE-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)s1 ZINC000643549150 384729644 /nfs/dbraw/zinc/72/96/44/384729644.db2.gz KTRVBHKNBIAOER-GSVCSZOMSA-N 2 0 279.453 2.799 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CS1 ZINC000638606534 384779241 /nfs/dbraw/zinc/77/92/41/384779241.db2.gz ZKXMWOUNMBWUQA-FRRDWIJNSA-N 2 0 258.475 2.836 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638564886 384744307 /nfs/dbraw/zinc/74/43/07/384744307.db2.gz KGAZSWYZHWEGOH-YPMHNXCESA-N 2 0 260.372 2.742 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566453 384745422 /nfs/dbraw/zinc/74/54/22/384745422.db2.gz JLIKVQQFQSTGNW-HRCADAONSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000638566693 384745523 /nfs/dbraw/zinc/74/55/23/384745523.db2.gz NEBKTAWGSPNHRH-OAHLLOKOSA-N 2 0 270.486 2.840 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H](OC)C2CCCC2)CC1 ZINC000638566087 384745645 /nfs/dbraw/zinc/74/56/45/384745645.db2.gz ZVHJPODLYPDNHL-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566553 384746257 /nfs/dbraw/zinc/74/62/57/384746257.db2.gz LROCTROKUICKTA-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000638589351 384762579 /nfs/dbraw/zinc/76/25/79/384762579.db2.gz SNDGOIOQTNPQQN-HNNXBMFYSA-N 2 0 276.424 2.775 20 0 CFADRP CO[C@H](C[NH2+]CCC[NH+](C(C)C)C(C)C)C1CC1 ZINC000638736002 384875836 /nfs/dbraw/zinc/87/58/36/384875836.db2.gz RDWOXMNVMQAQBS-OAHLLOKOSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CS[C@H](C)C1)C(C)C ZINC000638735080 384876627 /nfs/dbraw/zinc/87/66/27/384876627.db2.gz NTMVKFAUVDHFCY-ZIAGYGMSSA-N 2 0 258.475 2.979 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638692707 384838330 /nfs/dbraw/zinc/83/83/30/384838330.db2.gz LEQDMNBAHIZIID-OCCSQVGLSA-N 2 0 256.459 2.592 20 0 CFADRP CCOC1CC(C[NH2+]CCC2CC[NH+](CC)CC2)C1 ZINC000638694075 384842214 /nfs/dbraw/zinc/84/22/14/384842214.db2.gz ZRYOGWUPTXAPPU-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)CC(C)C ZINC000638699971 384847707 /nfs/dbraw/zinc/84/77/07/384847707.db2.gz FCHSNXNWTQVCSO-WTXIUTQJSA-N 2 0 268.445 2.652 20 0 CFADRP Cn1ccnc1C[C@@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000638700809 384848128 /nfs/dbraw/zinc/84/81/28/384848128.db2.gz RPBVSNVAIHLDCK-OAHLLOKOSA-N 2 0 298.415 2.950 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000280139556 384901845 /nfs/dbraw/zinc/90/18/45/384901845.db2.gz CWKIYHOEODZWCM-CVEARBPZSA-N 2 0 276.399 2.975 20 0 CFADRP CC[C@](C)(C[NH2+]C1CCC(C[NH+](C)C)CC1)OC ZINC000638778799 384913593 /nfs/dbraw/zinc/91/35/93/384913593.db2.gz GGXRQRXJVDMUDR-YMAMQOFZSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638787742 384919299 /nfs/dbraw/zinc/91/92/99/384919299.db2.gz AKIZFAYUUCMVGC-QGZVFWFLSA-N 2 0 282.472 2.761 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC1(F)F ZINC000638836959 384968632 /nfs/dbraw/zinc/96/86/32/384968632.db2.gz MQJCWPYXMSKZKP-WFASDCNBSA-N 2 0 295.377 2.931 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638838923 384971998 /nfs/dbraw/zinc/97/19/98/384971998.db2.gz SJIXCATVVUMOAT-JKSUJKDBSA-N 2 0 292.467 2.964 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000638848002 384982640 /nfs/dbraw/zinc/98/26/40/384982640.db2.gz FHFBAVJUYDQKJW-QZTJIDSGSA-N 2 0 293.499 2.739 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CS1 ZINC000638851405 384986572 /nfs/dbraw/zinc/98/65/72/384986572.db2.gz KFBJJZJTJFSYEI-WFASDCNBSA-N 2 0 264.438 2.732 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](C)C2CCCCC2)CC1 ZINC000638854961 384988546 /nfs/dbraw/zinc/98/85/46/384988546.db2.gz YKIWKFNEFHOWMT-QGZVFWFLSA-N 2 0 295.515 2.820 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000638874400 385006699 /nfs/dbraw/zinc/00/66/99/385006699.db2.gz RYFCHLDLOCQQPU-DLBZAZTESA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@](C)(C[NH2+]CC1(C[NH+](C)C)CCCC1)OC ZINC000639045878 385122601 /nfs/dbraw/zinc/12/26/01/385122601.db2.gz DNJPUQGFVIKMQN-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000644843054 385100213 /nfs/dbraw/zinc/10/02/13/385100213.db2.gz KIQODPGNYSAVQO-QAPCUYQASA-N 2 0 286.419 2.580 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000639102359 385194564 /nfs/dbraw/zinc/19/45/64/385194564.db2.gz KONGHXKRLDZFDA-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000270592733 385158822 /nfs/dbraw/zinc/15/88/22/385158822.db2.gz CUNTUJSNKCRFFZ-CIRFHOKZSA-N 2 0 290.451 2.819 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000639080507 385159790 /nfs/dbraw/zinc/15/97/90/385159790.db2.gz BDGLAGZPRTUMID-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000270616717 385164563 /nfs/dbraw/zinc/16/45/63/385164563.db2.gz JEWJZGQNWHWHIQ-QMIVOQANSA-N 2 0 296.480 2.878 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000639090991 385174188 /nfs/dbraw/zinc/17/41/88/385174188.db2.gz PUYSNIAELLEWDZ-GJZGRUSLSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@@H]1C ZINC000639129361 385228815 /nfs/dbraw/zinc/22/88/15/385228815.db2.gz SIYWJGGKJYJUPG-BZUAXINKSA-N 2 0 296.499 2.884 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000645199595 385238329 /nfs/dbraw/zinc/23/83/29/385238329.db2.gz QPNDTVHEYNHULM-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1nccn1CC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000270844335 385245107 /nfs/dbraw/zinc/24/51/07/385245107.db2.gz GNPBDPHHDWGBQR-KRWDZBQOSA-N 2 0 269.392 2.681 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000282475518 385320414 /nfs/dbraw/zinc/32/04/14/385320414.db2.gz PSBOFOAQVNBXTD-SZMVWBNQSA-N 2 0 290.451 2.657 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000639169114 385275212 /nfs/dbraw/zinc/27/52/12/385275212.db2.gz CLITUQDZWDWGPP-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(F)c3N)C2)CC1 ZINC000639177052 385284648 /nfs/dbraw/zinc/28/46/48/385284648.db2.gz OTWCMDWOWHHVGG-CQSZACIVSA-N 2 0 291.414 2.572 20 0 CFADRP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(F)c1 ZINC000639178965 385289799 /nfs/dbraw/zinc/28/97/99/385289799.db2.gz PXOQHXCJIBHWLW-CZUORRHYSA-N 2 0 264.388 2.906 20 0 CFADRP c1c(C[NH2+]CCCCC[NH+]2CCCC2)onc1C1CC1 ZINC000639209871 385333260 /nfs/dbraw/zinc/33/32/60/385333260.db2.gz GEDMGXHPUDNTTN-UHFFFAOYSA-N 2 0 277.412 2.908 20 0 CFADRP CO[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000639230700 385358438 /nfs/dbraw/zinc/35/84/38/385358438.db2.gz DSPNPSMSTJYVPQ-KRWDZBQOSA-N 2 0 292.467 2.954 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)OC ZINC000639231831 385360266 /nfs/dbraw/zinc/36/02/66/385360266.db2.gz TZPVYDKZWLGHIP-KGLIPLIRSA-N 2 0 258.450 2.758 20 0 CFADRP Cc1ccc(CC[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000639257852 385387016 /nfs/dbraw/zinc/38/70/16/385387016.db2.gz RTMFSEAYCOIKIV-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP CCC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCC1 ZINC000639258556 385388258 /nfs/dbraw/zinc/38/82/58/385388258.db2.gz JVULSBUIPRDHAG-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000282828110 385395773 /nfs/dbraw/zinc/39/57/73/385395773.db2.gz SCLZSIXXLKYFPS-JKSUJKDBSA-N 2 0 283.419 2.927 20 0 CFADRP CO[C@H](CN1CC[C@@H](C[NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000283159087 385441322 /nfs/dbraw/zinc/44/13/22/385441322.db2.gz OXLBTCQSNMILCH-XJKSGUPXSA-N 2 0 296.842 2.911 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1CCN1C1CCCC1)C1CCCC1 ZINC000639353713 385476316 /nfs/dbraw/zinc/47/63/16/385476316.db2.gz YZYOFGZKRMLESF-SJORKVTESA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@@](C)(C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000639375026 385492055 /nfs/dbraw/zinc/49/20/55/385492055.db2.gz PFNMWVDBIVEWJF-KRWDZBQOSA-N 2 0 280.456 2.752 20 0 CFADRP CCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1O ZINC000283720683 385492763 /nfs/dbraw/zinc/49/27/63/385492763.db2.gz BBZSDTNXWZAQCT-UKRRQHHQSA-N 2 0 292.423 2.705 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000639375816 385493305 /nfs/dbraw/zinc/49/33/05/385493305.db2.gz GDAOFGBJJZCTSE-MRXNPFEDSA-N 2 0 280.456 2.896 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000639375722 385493524 /nfs/dbraw/zinc/49/35/24/385493524.db2.gz BJGBENMSKSFTKZ-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP CC[C@](C)(C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639378284 385495412 /nfs/dbraw/zinc/49/54/12/385495412.db2.gz NZMCTEXPDZUGFI-CQSZACIVSA-N 2 0 256.434 2.608 20 0 CFADRP CCC[C@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639378227 385495659 /nfs/dbraw/zinc/49/56/59/385495659.db2.gz NKENRRQKUGQNIQ-CQSZACIVSA-N 2 0 256.434 2.608 20 0 CFADRP CCc1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)s1 ZINC000639395485 385513647 /nfs/dbraw/zinc/51/36/47/385513647.db2.gz AIQOJGGWSKVLRK-OAHLLOKOSA-N 2 0 264.438 2.837 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000284057226 385528799 /nfs/dbraw/zinc/52/87/99/385528799.db2.gz KNKYLROGQKOSBR-GUYCJALGSA-N 2 0 286.419 2.844 20 0 CFADRP C[C@@H]([NH2+]CC1(C)COC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272505799 385555107 /nfs/dbraw/zinc/55/51/07/385555107.db2.gz OFKBKLVUUVURQM-WBVHZDCISA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]([NH2+]CCCCCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604416 385573716 /nfs/dbraw/zinc/57/37/16/385573716.db2.gz YYGUPLGUHQJSBZ-AEFFLSMTSA-N 2 0 290.451 2.649 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286347543 385594649 /nfs/dbraw/zinc/59/46/49/385594649.db2.gz ZCUHAABWCNHRMY-INIZCTEOSA-N 2 0 288.439 2.883 20 0 CFADRP CN(c1ccncc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286334080 385592421 /nfs/dbraw/zinc/59/24/21/385592421.db2.gz KLRDTZVYMYHHMN-FOSCPWQOSA-N 2 0 265.788 2.796 20 0 CFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000272773511 385610406 /nfs/dbraw/zinc/61/04/06/385610406.db2.gz SYXHKADZNAXBTR-MSOLQXFVSA-N 2 0 288.435 2.531 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000272773520 385610741 /nfs/dbraw/zinc/61/07/41/385610741.db2.gz SYXHKADZNAXBTR-ZWKOTPCHSA-N 2 0 288.435 2.531 20 0 CFADRP COC1(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000639683705 385659181 /nfs/dbraw/zinc/65/91/81/385659181.db2.gz MEQURYKTDNSQMJ-UHFFFAOYSA-N 2 0 289.423 2.553 20 0 CFADRP c1cc(N2CCC[N@@H+](CC3CCCC3)CC2)cc[nH+]1 ZINC000639682413 385659395 /nfs/dbraw/zinc/65/93/95/385659395.db2.gz WNHMEYDRXPNFDA-UHFFFAOYSA-N 2 0 259.397 2.784 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682890 385659662 /nfs/dbraw/zinc/65/96/62/385659662.db2.gz COQBXLRURVWDTO-KRWDZBQOSA-N 2 0 291.439 2.655 20 0 CFADRP CCC[C@@H](C)C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288677838 197143019 /nfs/dbraw/zinc/14/30/19/197143019.db2.gz WVUBSBJONQWXNU-OAHLLOKOSA-N 2 0 293.455 2.938 20 0 CFADRP c1cc(CCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000639703679 385672855 /nfs/dbraw/zinc/67/28/55/385672855.db2.gz KVAZVDSDZVQUTH-UHFFFAOYSA-N 2 0 296.418 2.622 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000639745320 385690054 /nfs/dbraw/zinc/69/00/54/385690054.db2.gz FLESFUBTBJLWNO-IXDOHACOSA-N 2 0 295.515 2.626 20 0 CFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1C(C)(C)C ZINC000639746655 385692990 /nfs/dbraw/zinc/69/29/90/385692990.db2.gz KRYIDHCSONNOQT-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(O)ccc3Cl)C2)CC1 ZINC000639758713 385697273 /nfs/dbraw/zinc/69/72/73/385697273.db2.gz UIWVEVPAMAVIKU-UHFFFAOYSA-N 2 0 294.826 2.963 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000639905141 385764284 /nfs/dbraw/zinc/76/42/84/385764284.db2.gz USUSWMVQMORZSJ-KSZLIROESA-N 2 0 288.435 2.981 20 0 CFADRP Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000274367628 385779104 /nfs/dbraw/zinc/77/91/04/385779104.db2.gz PDNFSZDMUFNIPD-KBPBESRZSA-N 2 0 277.412 2.690 20 0 CFADRP Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000274393702 385785294 /nfs/dbraw/zinc/78/52/94/385785294.db2.gz WFNVAOIVXXYDBC-GJZGRUSLSA-N 2 0 277.412 2.691 20 0 CFADRP CCn1nc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc21 ZINC000274406423 385790637 /nfs/dbraw/zinc/79/06/37/385790637.db2.gz GWWMKMNHZHMTQK-CQSZACIVSA-N 2 0 298.434 2.630 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000287173633 385794589 /nfs/dbraw/zinc/79/45/89/385794589.db2.gz CHNPODJFUDDROI-BPQIPLTHSA-N 2 0 288.435 2.666 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274898694 385893147 /nfs/dbraw/zinc/89/31/47/385893147.db2.gz KVLUSYZPLVBLJQ-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)Cc1cccnc1 ZINC000275213813 385957660 /nfs/dbraw/zinc/95/76/60/385957660.db2.gz ILUNJDCKQXLZPE-UHFFFAOYSA-N 2 0 255.365 2.850 20 0 CFADRP COc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415012421 533157719 /nfs/dbraw/zinc/15/77/19/533157719.db2.gz XDADBCCFKISVJB-IJEWVQPXSA-N 2 0 276.424 2.906 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@H]1c1cccn1C ZINC000276878715 386066675 /nfs/dbraw/zinc/06/66/75/386066675.db2.gz IOXKXVBVAOMDQG-INIZCTEOSA-N 2 0 263.429 2.894 20 0 CFADRP CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccsc1 ZINC000276917637 386080438 /nfs/dbraw/zinc/08/04/38/386080438.db2.gz LTWYAPROEOBTHA-AWEZNQCLSA-N 2 0 282.453 2.636 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423153049 285219874 /nfs/dbraw/zinc/21/98/74/285219874.db2.gz FXXMJIBOQGHWDS-XQQFMLRXSA-N 2 0 296.377 2.841 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000422993411 285219941 /nfs/dbraw/zinc/21/99/41/285219941.db2.gz SUCSWNMZFSOZAA-CZUORRHYSA-N 2 0 276.424 2.753 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000423254981 533167420 /nfs/dbraw/zinc/16/74/20/533167420.db2.gz AFSGBUKFZPCSFR-STQMWFEESA-N 2 0 280.387 2.875 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423257621 533168252 /nfs/dbraw/zinc/16/82/52/533168252.db2.gz KJJLSMSTNGDJSX-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1F ZINC000423324804 533170586 /nfs/dbraw/zinc/17/05/86/533170586.db2.gz IZUZKTUZSSWIFG-BLLLJJGKSA-N 2 0 280.387 2.875 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423233884 533176166 /nfs/dbraw/zinc/17/61/66/533176166.db2.gz KQSFNJCPFHUTOK-VNHYZAJKSA-N 2 0 262.397 2.529 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000247020998 285234862 /nfs/dbraw/zinc/23/48/62/285234862.db2.gz LSYZQMNBWZKFOA-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415022857 533184821 /nfs/dbraw/zinc/18/48/21/533184821.db2.gz LTJNLAXPSKCXOA-AWEZNQCLSA-N 2 0 299.418 2.974 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000681400251 542448386 /nfs/dbraw/zinc/44/83/86/542448386.db2.gz DMFNCIXYZVIQHU-PVAVHDDUSA-N 2 0 282.472 2.900 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000127204853 413020417 /nfs/dbraw/zinc/02/04/17/413020417.db2.gz JKHJZGXDPDCNPC-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000127205079 413020732 /nfs/dbraw/zinc/02/07/32/413020732.db2.gz JKHJZGXDPDCNPC-ZFWWWQNUSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000129061653 413027044 /nfs/dbraw/zinc/02/70/44/413027044.db2.gz YJABGCJINZWCBZ-ZYHUDNBSSA-N 2 0 288.313 2.897 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)CC[NH2+]1 ZINC000414748736 297398959 /nfs/dbraw/zinc/39/89/59/297398959.db2.gz OTTPTLFYFFMGSZ-DJXIOKRSSA-N 2 0 262.441 2.885 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c2ccccc2n1 ZINC000129012248 413027762 /nfs/dbraw/zinc/02/77/62/413027762.db2.gz VDUNCKPTCYVTDF-DZGCQCFKSA-N 2 0 269.392 2.855 20 0 CFADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000130801110 413032033 /nfs/dbraw/zinc/03/20/33/413032033.db2.gz ORQAAFCRZMVSJS-IXDOHACOSA-N 2 0 294.483 2.830 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(O)cc2)C[C@H]1C ZINC000682404367 542548148 /nfs/dbraw/zinc/54/81/48/542548148.db2.gz DAOYSTFXBNRCJE-UKRRQHHQSA-N 2 0 262.397 2.697 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000391082526 262380189 /nfs/dbraw/zinc/38/01/89/262380189.db2.gz LBUYPVYJTULSMN-MCIONIFRSA-N 2 0 279.453 2.504 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](c2ccnn2C)C(C)C)CC1 ZINC000682645466 542576282 /nfs/dbraw/zinc/57/62/82/542576282.db2.gz HKDZPMCSBGZBQA-INIZCTEOSA-N 2 0 292.471 2.624 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281643330 195320198 /nfs/dbraw/zinc/32/01/98/195320198.db2.gz PEIRMDBSWKTXSS-INIZCTEOSA-N 2 0 275.371 2.523 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000157942597 285399213 /nfs/dbraw/zinc/39/92/13/285399213.db2.gz ODHITVKDUJBYPW-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCS2 ZINC000423524585 533301679 /nfs/dbraw/zinc/30/16/79/533301679.db2.gz ZRBMWQJTHOCFIO-SLEUVZQESA-N 2 0 292.448 2.949 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423321493 533315031 /nfs/dbraw/zinc/31/50/31/533315031.db2.gz GFDNDMSDZRVLBV-CQSZACIVSA-N 2 0 292.398 2.801 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccnn1-c1ccccc1 ZINC000423224792 533337388 /nfs/dbraw/zinc/33/73/88/533337388.db2.gz CQKVNPTVBQPLOH-WLYUNCDWSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422814429 533364522 /nfs/dbraw/zinc/36/45/22/533364522.db2.gz UTLYPSHSERICEV-GDBMZVCRSA-N 2 0 258.409 2.838 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423345960 533365219 /nfs/dbraw/zinc/36/52/19/533365219.db2.gz OSWQTASHFXKNGV-SECBINFHSA-N 2 0 270.298 2.674 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000423339416 533366776 /nfs/dbraw/zinc/36/67/76/533366776.db2.gz ISOJFSBCEKWCFX-LLVKDONJSA-N 2 0 282.334 2.858 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423303515 533370236 /nfs/dbraw/zinc/37/02/36/533370236.db2.gz LVEVHGYQUZVLIT-SNVBAGLBSA-N 2 0 286.391 2.914 20 0 CFADRP C[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)[C@H]1CCC[NH2+]1 ZINC000423110706 533389742 /nfs/dbraw/zinc/38/97/42/533389742.db2.gz IJHRPEWHQHLTLD-MLGOLLRUSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@@H]([NH2+]CCCCN(C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422739756 533377839 /nfs/dbraw/zinc/37/78/39/533377839.db2.gz MDBPROUZDLRSEA-NVXWUHKLSA-N 2 0 275.440 2.633 20 0 CFADRP C[C@@H]([NH2+]CCCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414822613 533379346 /nfs/dbraw/zinc/37/93/46/533379346.db2.gz NHDHLBWADKNIFT-CVEARBPZSA-N 2 0 276.424 2.823 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422793688 533384402 /nfs/dbraw/zinc/38/44/02/533384402.db2.gz XMVXSARVQWHZHC-GDBMZVCRSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H]([NH2+]CCCOCCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422711410 533386237 /nfs/dbraw/zinc/38/62/37/533386237.db2.gz NBAVGKWOTTZZLA-SJLPKXTDSA-N 2 0 290.451 2.756 20 0 CFADRP COc1ccc2cc(C[NH2+]C3CC[NH2+]CC3)ccc2c1 ZINC000414796469 533330588 /nfs/dbraw/zinc/33/05/88/533330588.db2.gz XUUYAWAONLJSAB-UHFFFAOYSA-N 2 0 270.376 2.690 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000414857455 533445307 /nfs/dbraw/zinc/44/53/07/533445307.db2.gz PMVGIHWXTLCMNS-PWSUYJOCSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423256994 533402666 /nfs/dbraw/zinc/40/26/66/533402666.db2.gz GZJQNLFSQHMMEE-HZPDHXFCSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423257670 533402961 /nfs/dbraw/zinc/40/29/61/533402961.db2.gz KPJKWRSWYREEPQ-VXGBXAGGSA-N 2 0 267.804 2.775 20 0 CFADRP COc1cccc(CCC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415075035 533456023 /nfs/dbraw/zinc/45/60/23/533456023.db2.gz DSAVMCJJWLZFCR-HOCLYGCPSA-N 2 0 276.424 2.606 20 0 CFADRP COc1cccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422936820 533456098 /nfs/dbraw/zinc/45/60/98/533456098.db2.gz BZJHHNQZCIQJDD-XYPWUTKMSA-N 2 0 274.408 2.500 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423247334 533403377 /nfs/dbraw/zinc/40/33/77/533403377.db2.gz LESHAQXOMLYEFP-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422946868 533457415 /nfs/dbraw/zinc/45/74/15/533457415.db2.gz PNWRVGPMAQEHEV-PBHICJAKSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414896309 533520370 /nfs/dbraw/zinc/52/03/70/533520370.db2.gz BLJCNIPUUHEQIN-JTQLQIEISA-N 2 0 252.324 2.697 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422726345 533495809 /nfs/dbraw/zinc/49/58/09/533495809.db2.gz DQCOXHJFOPTLPK-ZJUUUORDSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423328076 533529701 /nfs/dbraw/zinc/52/97/01/533529701.db2.gz ACWKUYXILJKYED-JTQLQIEISA-N 2 0 250.308 2.617 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000422758753 533501581 /nfs/dbraw/zinc/50/15/81/533501581.db2.gz KRAOQGQOPMFXEF-UXLLHSPISA-N 2 0 298.434 2.911 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414840820 533508071 /nfs/dbraw/zinc/50/80/71/533508071.db2.gz NNNTZHNKWCAVMW-NVXWUHKLSA-N 2 0 290.451 2.996 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414864437 533513043 /nfs/dbraw/zinc/51/30/43/533513043.db2.gz YOMPBXYCVDEGKT-HOCLYGCPSA-N 2 0 276.424 2.606 20 0 CFADRP COc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415025794 533513803 /nfs/dbraw/zinc/51/38/03/533513803.db2.gz RFOBGEXCOOAIDS-HDJSIYSDSA-N 2 0 262.397 2.550 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423045242 533538614 /nfs/dbraw/zinc/53/86/14/533538614.db2.gz BQJCJCCHOHIIEY-ZDUSSCGKSA-N 2 0 291.414 2.967 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423128191 533540849 /nfs/dbraw/zinc/54/08/49/533540849.db2.gz KPYJFBCQAHSLEZ-KBPBESRZSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422799085 533553937 /nfs/dbraw/zinc/55/39/37/533553937.db2.gz VBFNVCABDFTAKU-MNOVXSKESA-N 2 0 256.340 2.785 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422963772 533553961 /nfs/dbraw/zinc/55/39/61/533553961.db2.gz JLPWQDAIQOZZPX-GJZGRUSLSA-N 2 0 279.428 2.524 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422788073 533554137 /nfs/dbraw/zinc/55/41/37/533554137.db2.gz RXSLUUIUFQWCCW-VIFPVBQESA-N 2 0 291.226 2.517 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415116843 533567899 /nfs/dbraw/zinc/56/78/99/533567899.db2.gz WJXDPRKVEFYZDY-HOCLYGCPSA-N 2 0 261.413 2.525 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000422859754 533606137 /nfs/dbraw/zinc/60/61/37/533606137.db2.gz KGDFDBHINSLQHX-IYXRBSQSSA-N 2 0 292.423 2.933 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422868829 533607491 /nfs/dbraw/zinc/60/74/91/533607491.db2.gz WFYHNWXVZUIUFC-KGLIPLIRSA-N 2 0 292.423 2.805 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc2cccnc12 ZINC000427103631 533628238 /nfs/dbraw/zinc/62/82/38/533628238.db2.gz KXWJLLBFQSLVIT-IAGOWNOFSA-N 2 0 281.403 2.727 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835877 533655834 /nfs/dbraw/zinc/65/58/34/533655834.db2.gz RZXMSZOFKKMQLC-ZFWWWQNUSA-N 2 0 264.388 2.736 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422924587 533656910 /nfs/dbraw/zinc/65/69/10/533656910.db2.gz UEFITDCIBRXJOI-WMLDXEAASA-N 2 0 292.423 2.571 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422924589 533657943 /nfs/dbraw/zinc/65/79/43/533657943.db2.gz UEFITDCIBRXJOI-YOEHRIQHSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758473 130025449 /nfs/dbraw/zinc/02/54/49/130025449.db2.gz PSKHUBPVCLMNIQ-HUUCEWRRSA-N 2 0 278.444 2.725 20 0 CFADRP Cc1ccnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000683003012 542625743 /nfs/dbraw/zinc/62/57/43/542625743.db2.gz SBFIXGGYEQQDQH-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CC(C)CCOCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000355338595 130281826 /nfs/dbraw/zinc/28/18/26/130281826.db2.gz YNRNPSHNAGAUKW-QGZVFWFLSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000359591960 130524106 /nfs/dbraw/zinc/52/41/06/130524106.db2.gz MTBRQQBDBRJGLQ-IUODEOHRSA-N 2 0 266.816 2.812 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000227328766 130840171 /nfs/dbraw/zinc/84/01/71/130840171.db2.gz VKJODWZGAPKYGC-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CCOc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227330499 130840606 /nfs/dbraw/zinc/84/06/06/130840606.db2.gz JOMWVFJSMPFEGS-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000245849870 131089981 /nfs/dbraw/zinc/08/99/81/131089981.db2.gz AZCOGSIYPJQUOW-NEPJUHHUSA-N 2 0 268.351 2.957 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H](C)C1 ZINC000246868144 131097886 /nfs/dbraw/zinc/09/78/86/131097886.db2.gz CTVDWWMUGZVSQR-GXTWGEPZSA-N 2 0 281.831 2.597 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000249371127 131120624 /nfs/dbraw/zinc/12/06/24/131120624.db2.gz BIEATBNATGDVKZ-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP CN(CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000249993459 131124117 /nfs/dbraw/zinc/12/41/17/131124117.db2.gz OVIJOKRXBPRSOD-WMZOPIPTSA-N 2 0 287.451 2.729 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000250885334 131127495 /nfs/dbraw/zinc/12/74/95/131127495.db2.gz ZJXLYRHZUZUALF-JHJVBQTASA-N 2 0 252.427 2.875 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000252439506 131134382 /nfs/dbraw/zinc/13/43/82/131134382.db2.gz PNCFRVOFOIQNCM-CABCVRRESA-N 2 0 276.424 2.558 20 0 CFADRP c1ccc2c(c1)CCN2C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261991345 131181226 /nfs/dbraw/zinc/18/12/26/131181226.db2.gz SKOAFWFFSXARGB-UHFFFAOYSA-N 2 0 299.462 2.513 20 0 CFADRP Cc1cc(C)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268438346 132008868 /nfs/dbraw/zinc/00/88/68/132008868.db2.gz QWJCNVWNPMSYIM-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268707680 132053460 /nfs/dbraw/zinc/05/34/60/132053460.db2.gz ITKRMFBDPGTCBY-GOEBONIOSA-N 2 0 278.465 2.850 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848741 132076929 /nfs/dbraw/zinc/07/69/29/132076929.db2.gz GUAMJPDJGODBCK-JFIYKMOQSA-N 2 0 290.451 2.564 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1C ZINC000268867098 132079237 /nfs/dbraw/zinc/07/92/37/132079237.db2.gz UGIAAZMQHPULFV-MRXNPFEDSA-N 2 0 290.451 2.801 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000110648719 542736344 /nfs/dbraw/zinc/73/63/44/542736344.db2.gz XUFMKAFEQWISPT-GFCCVEGCSA-N 2 0 282.428 2.977 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000110648717 542736771 /nfs/dbraw/zinc/73/67/71/542736771.db2.gz XUFMKAFEQWISPT-LBPRGKRZSA-N 2 0 282.428 2.977 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000267162001 285526207 /nfs/dbraw/zinc/52/62/07/285526207.db2.gz ABFIPTCVDVHQFU-OAHLLOKOSA-N 2 0 297.402 2.536 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@H]1[NH3+] ZINC000299976398 393464969 /nfs/dbraw/zinc/46/49/69/393464969.db2.gz CUWDCMHKXNMXFJ-RBSFLKMASA-N 2 0 266.429 2.537 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000181739859 393500165 /nfs/dbraw/zinc/50/01/65/393500165.db2.gz TVLSUKBNSBUQRX-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375837904 393511230 /nfs/dbraw/zinc/51/12/30/393511230.db2.gz DNVDMXLZULCWIH-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC000376518334 393520730 /nfs/dbraw/zinc/52/07/30/393520730.db2.gz GCNYTADOIRDWPE-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1([NH+](C)C)CCCCC1 ZINC000036908007 393525583 /nfs/dbraw/zinc/52/55/83/393525583.db2.gz WBYIIEYMNTXENR-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000314157122 393525625 /nfs/dbraw/zinc/52/56/25/393525625.db2.gz JJQYBECFIUGWSN-IAGOWNOFSA-N 2 0 288.435 2.614 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000037649046 393533995 /nfs/dbraw/zinc/53/39/95/393533995.db2.gz DQEJGZJHRIZHSU-CHWSQXEVSA-N 2 0 292.398 2.969 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000037786510 393535219 /nfs/dbraw/zinc/53/52/19/393535219.db2.gz KOEUSSJLELITDB-IJEWVQPXSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000380896781 393559057 /nfs/dbraw/zinc/55/90/57/393559057.db2.gz LXURXQXEAMXTMA-YYFQZIEXSA-N 2 0 268.470 2.781 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000684383575 542797691 /nfs/dbraw/zinc/79/76/91/542797691.db2.gz WTPJUOZKHUYERW-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1c2ccsc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000042781800 393555235 /nfs/dbraw/zinc/55/52/35/393555235.db2.gz CGCHZWXRLMKDCZ-NSHDSACASA-N 2 0 250.411 2.667 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000684378382 542796072 /nfs/dbraw/zinc/79/60/72/542796072.db2.gz JRORGMOQFVGVIH-ZNMIVQPWSA-N 2 0 270.461 2.900 20 0 CFADRP c1ccc(N2CC[C@@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000684425198 542806696 /nfs/dbraw/zinc/80/66/96/542806696.db2.gz GTOGLSNQDNSSLC-LRYGQEGESA-N 2 0 299.462 2.872 20 0 CFADRP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2[nH+]1 ZINC000382421726 393571095 /nfs/dbraw/zinc/57/10/95/393571095.db2.gz KRJSSEPPNZGEHS-STQMWFEESA-N 2 0 255.365 2.647 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)OC ZINC000386428063 393586382 /nfs/dbraw/zinc/58/63/82/393586382.db2.gz LBVKFRLIYKUYIB-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000334275495 393588061 /nfs/dbraw/zinc/58/80/61/393588061.db2.gz BXSYOOZZIMSINJ-ZWKOTPCHSA-N 2 0 287.451 2.506 20 0 CFADRP CC(CC[NH+]1CCSCC1)CC[NH+]1CCSCC1 ZINC000411173080 393679854 /nfs/dbraw/zinc/67/98/54/393679854.db2.gz KXTXNKKUQAFLGE-UHFFFAOYSA-N 2 0 288.526 2.500 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699383 393616993 /nfs/dbraw/zinc/61/69/93/393616993.db2.gz LMVMEMZTXFUAPN-USSHROBNSA-N 3 0 293.499 2.889 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000405034308 393622660 /nfs/dbraw/zinc/62/26/60/393622660.db2.gz WJBFVUXATIIHFR-BPQIPLTHSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCc1ccccc1)CC[NH2+]CC2 ZINC000335280404 393657001 /nfs/dbraw/zinc/65/70/01/393657001.db2.gz NQQAFBTVSOZAEN-HNNXBMFYSA-N 2 0 258.409 2.693 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000193808728 393663912 /nfs/dbraw/zinc/66/39/12/393663912.db2.gz YDHSOCXTIHXLHJ-FRRDWIJNSA-N 2 0 256.459 2.590 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC3(O)CCC3)C2)CC1 ZINC000411115706 393666887 /nfs/dbraw/zinc/66/68/87/393666887.db2.gz FINCSXYQQFLWLQ-KRWDZBQOSA-N 2 0 294.483 2.735 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000193982702 393669593 /nfs/dbraw/zinc/66/95/93/393669593.db2.gz RNDWFRQCPZAYBJ-YLFCFFPRSA-N 2 0 292.467 2.656 20 0 CFADRP O[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411148111 393674911 /nfs/dbraw/zinc/67/49/11/393674911.db2.gz KOYDGDTUQMXFRH-GOSISDBHSA-N 2 0 288.435 2.629 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000085380562 393752137 /nfs/dbraw/zinc/75/21/37/393752137.db2.gz VCBYCCIIACCMKX-CABCVRRESA-N 2 0 268.445 2.652 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000335634389 393686011 /nfs/dbraw/zinc/68/60/11/393686011.db2.gz NUBRUIVFWYXEMS-HUUCEWRRSA-N 2 0 262.372 2.647 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000335669961 393688384 /nfs/dbraw/zinc/68/83/84/393688384.db2.gz KBGFMXYKRGLXQY-ADPBJBESSA-N 2 0 262.319 2.544 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000336005071 393714650 /nfs/dbraw/zinc/71/46/50/393714650.db2.gz JVYBZEYKVULKOT-GFCCVEGCSA-N 2 0 261.756 2.710 20 0 CFADRP CC[C@](C)(O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080201224 393724333 /nfs/dbraw/zinc/72/43/33/393724333.db2.gz SWPJCFOOROWGFX-SFHVURJKSA-N 2 0 292.467 2.895 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000088781338 393764534 /nfs/dbraw/zinc/76/45/34/393764534.db2.gz CZGXPZUXNVYDFY-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000089615116 393768170 /nfs/dbraw/zinc/76/81/70/393768170.db2.gz LQEIXGZMOLJOQZ-RDJZCZTQSA-N 2 0 287.451 2.811 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229061043 393776912 /nfs/dbraw/zinc/77/69/12/393776912.db2.gz XAWAKDNSBBAEJX-RISCZKNCSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)C[NH+]1CCCC1 ZINC000229650674 393777788 /nfs/dbraw/zinc/77/77/88/393777788.db2.gz GWSLJIUUXLZECP-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C)CCOCC1 ZINC000235123427 393783403 /nfs/dbraw/zinc/78/34/03/393783403.db2.gz CYHQMGWCJTUMST-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]1 ZINC000235724019 393784435 /nfs/dbraw/zinc/78/44/35/393784435.db2.gz MCUVFKZTDYTYQT-GXTWGEPZSA-N 2 0 250.361 2.646 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@H]1CCCCO1 ZINC000414703871 393802466 /nfs/dbraw/zinc/80/24/66/393802466.db2.gz VVNKKFKCAHQONS-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(F)c2)[C@@H](C)C1 ZINC000245423373 393802882 /nfs/dbraw/zinc/80/28/82/393802882.db2.gz JJZMIOYQTKRBSR-WMLDXEAASA-N 2 0 294.414 2.867 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000424248520 393803856 /nfs/dbraw/zinc/80/38/56/393803856.db2.gz VCOCHYPSJMDTNW-CQSZACIVSA-N 2 0 289.423 2.657 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000414732323 393804102 /nfs/dbraw/zinc/80/41/02/393804102.db2.gz IQFVZBUTDNZWPS-HZPDHXFCSA-N 2 0 295.858 2.660 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777288 393805877 /nfs/dbraw/zinc/80/58/77/393805877.db2.gz HYVYKSJRKHJCLH-KGLIPLIRSA-N 2 0 290.455 2.529 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414849035 393806682 /nfs/dbraw/zinc/80/66/82/393806682.db2.gz HBSQDAQBPNJLGR-DJIMGWMZSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)[C@H]1CCC[NH2+]C1 ZINC000414865087 393806862 /nfs/dbraw/zinc/80/68/62/393806862.db2.gz YWLGYWFSSFYUAR-RBOXIYTFSA-N 2 0 278.827 2.785 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414884227 393807011 /nfs/dbraw/zinc/80/70/11/393807011.db2.gz VVRQNRLYRFWQER-AWEZNQCLSA-N 2 0 286.423 2.680 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)CC3 ZINC000414890297 393807985 /nfs/dbraw/zinc/80/79/85/393807985.db2.gz MKXZBUFSIJAHFT-BBRMVZONSA-N 2 0 283.419 2.661 20 0 CFADRP CC1CC[NH+]([C@@H](CNCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000415078329 393811276 /nfs/dbraw/zinc/81/12/76/393811276.db2.gz GLXIXRFGOHZHOX-AWEZNQCLSA-N 2 0 295.496 2.848 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000415144231 393811928 /nfs/dbraw/zinc/81/19/28/393811928.db2.gz UFQOFRJHDGDHLB-KRWDZBQOSA-N 2 0 290.451 2.602 20 0 CFADRP Cc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424285165 393814181 /nfs/dbraw/zinc/81/41/81/393814181.db2.gz FJBNREPEMUNEEW-OAHLLOKOSA-N 2 0 258.409 2.959 20 0 CFADRP Cc1cnccc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245563983 393816549 /nfs/dbraw/zinc/81/65/49/393816549.db2.gz DCPPJVNINNGCJX-TZMCWYRMSA-N 2 0 290.411 2.632 20 0 CFADRP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073812 393816620 /nfs/dbraw/zinc/81/66/20/393816620.db2.gz FKKILVPAFBZFKM-INMHGKMJSA-N 2 0 275.440 2.563 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccccc1)CC[NH2+]CC2 ZINC000424298990 393817603 /nfs/dbraw/zinc/81/76/03/393817603.db2.gz VEVYRNRCMWRGOH-OAHLLOKOSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000424330984 393831293 /nfs/dbraw/zinc/83/12/93/393831293.db2.gz SMBLOBCWEIYSSB-KBPBESRZSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000105480667 393863629 /nfs/dbraw/zinc/86/36/29/393863629.db2.gz QIAFVQDXWBZMDB-FZMZJTMJSA-N 2 0 297.240 2.879 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246713896 393882448 /nfs/dbraw/zinc/88/24/48/393882448.db2.gz XCGWBCQOTLBCJJ-DYVFJYSZSA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000246813281 393885463 /nfs/dbraw/zinc/88/54/63/393885463.db2.gz ATMPKEVTDHELAH-BIVLZKPYSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000246979500 393890975 /nfs/dbraw/zinc/89/09/75/393890975.db2.gz DXBUMYYWUBFELB-FGTMMUONSA-N 2 0 291.483 2.586 20 0 CFADRP CO[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000248405234 393908209 /nfs/dbraw/zinc/90/82/09/393908209.db2.gz ANPRVWPASMCIPU-OAGGEKHMSA-N 2 0 268.445 2.608 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246271567 393858207 /nfs/dbraw/zinc/85/82/07/393858207.db2.gz ASPVGKSBGZKCTN-BFYDXBDKSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000684773081 542852320 /nfs/dbraw/zinc/85/23/20/542852320.db2.gz ATPSKQOHLOQZPG-NVXWUHKLSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000252891711 393939461 /nfs/dbraw/zinc/93/94/61/393939461.db2.gz LIGJRGUWLZWOMP-BXUZGUMPSA-N 2 0 252.789 2.770 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000474482916 393944019 /nfs/dbraw/zinc/94/40/19/393944019.db2.gz QDZOHUBJZVUTDP-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1F ZINC000258984421 393946325 /nfs/dbraw/zinc/94/63/25/393946325.db2.gz LHXPEYVQPDHZJR-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP CC(C)CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000429324570 393952149 /nfs/dbraw/zinc/95/21/49/393952149.db2.gz ARKGMOCXWCCKCI-ARFHVFGLSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000434766869 394016868 /nfs/dbraw/zinc/01/68/68/394016868.db2.gz UTNMGYOOBKCESU-LSDHHAIUSA-N 2 0 282.472 2.636 20 0 CFADRP CCCCO[C@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C1(C)C ZINC000435885661 394019470 /nfs/dbraw/zinc/01/94/70/394019470.db2.gz MPOOKTKONFMCOU-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[C@H]([NH3+])c2ccccc2)n1 ZINC000435906585 394019574 /nfs/dbraw/zinc/01/95/74/394019574.db2.gz LBSMRPXGZXLYLF-UBHSHLNASA-N 2 0 288.395 2.919 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000126183530 394021753 /nfs/dbraw/zinc/02/17/53/394021753.db2.gz RHDQVMMPKAAEFY-SFHVURJKSA-N 2 0 272.436 2.939 20 0 CFADRP CCCC1CCC(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262094923 393952657 /nfs/dbraw/zinc/95/26/57/393952657.db2.gz HSBYXJKKPQHNAX-ABHNRTSZSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262318589 393954405 /nfs/dbraw/zinc/95/44/05/393954405.db2.gz DWBXBBGSRPARRD-UONOGXRCSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3C[C@@](C)(O)C3)CC2)C1 ZINC000417411000 393958710 /nfs/dbraw/zinc/95/87/10/393958710.db2.gz WEDLLGAAALNRBG-QMCVQRASSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000349127095 393963117 /nfs/dbraw/zinc/96/31/17/393963117.db2.gz HWWBVNFKDHQQRH-CGTJXYLNSA-N 2 0 294.483 2.855 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349296252 393966816 /nfs/dbraw/zinc/96/68/16/393966816.db2.gz LGTYRVJVFXNFJV-JKSUJKDBSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(Br)cc1 ZINC000122356897 393967889 /nfs/dbraw/zinc/96/78/89/393967889.db2.gz MEUBLLVGJYELIQ-ZYHUDNBSSA-N 2 0 283.213 2.618 20 0 CFADRP CCOc1ccc(C[NH2+]CCCC[NH+](C)C)cc1F ZINC000486939461 393973019 /nfs/dbraw/zinc/97/30/19/393973019.db2.gz JWDRVMWVDHVXDG-UHFFFAOYSA-N 2 0 268.376 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C\c1ccncc1 ZINC000486974668 393976525 /nfs/dbraw/zinc/97/65/25/393976525.db2.gz SJTRDRXEICVVSF-HQQUCIOCSA-N 2 0 273.424 2.949 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000123636758 393984474 /nfs/dbraw/zinc/98/44/74/393984474.db2.gz NFCHEIQOPZSACE-UHFFFAOYSA-N 2 0 267.442 2.581 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000124330633 393994230 /nfs/dbraw/zinc/99/42/30/393994230.db2.gz ZNPWCHXZGDPSTF-UKRRQHHQSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000430575845 393995916 /nfs/dbraw/zinc/99/59/16/393995916.db2.gz ANZVLVNWAISBAK-LSDHHAIUSA-N 2 0 268.445 2.785 20 0 CFADRP COc1ccc(OCCC[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430577114 393995985 /nfs/dbraw/zinc/99/59/85/393995985.db2.gz UIRJVQDLERSKQG-QGZVFWFLSA-N 2 0 294.439 2.769 20 0 CFADRP CSc1ccc(OCC[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430586192 393996793 /nfs/dbraw/zinc/99/67/93/393996793.db2.gz SFNGTRGYJVGUTB-HNNXBMFYSA-N 2 0 282.453 2.750 20 0 CFADRP C[N@H+](CCCOCCc1ccccc1)CC(C)(C)C[NH3+] ZINC000430591235 393996992 /nfs/dbraw/zinc/99/69/92/393996992.db2.gz AFEPQSMZPNBYOT-UHFFFAOYSA-N 2 0 278.440 2.553 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000124622712 393997672 /nfs/dbraw/zinc/99/76/72/393997672.db2.gz VOZGEBSURPOBHJ-ZFWWWQNUSA-N 2 0 262.397 2.785 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC1(C)C ZINC000487322288 393997767 /nfs/dbraw/zinc/99/77/67/393997767.db2.gz QILHIPHCDOGFGJ-SQWLQELKSA-N 2 0 280.456 2.512 20 0 CFADRP c1ccc(Oc2cccnc2)c(CN2CCC[NH2+]CC2)c1 ZINC000430603187 393998475 /nfs/dbraw/zinc/99/84/75/393998475.db2.gz JDDOVHQLGXIJRO-UHFFFAOYSA-N 2 0 283.375 2.669 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430760357 394006384 /nfs/dbraw/zinc/00/63/84/394006384.db2.gz IRQMRSTWNDAFPI-LPWJVIDDSA-N 2 0 260.372 2.740 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000430715589 394006701 /nfs/dbraw/zinc/00/67/01/394006701.db2.gz SNHHFPFIBLKDTE-WNRNVDISSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000125632326 394010331 /nfs/dbraw/zinc/01/03/31/394010331.db2.gz NDFDLLYPFDGUQQ-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000352157744 394011208 /nfs/dbraw/zinc/01/12/08/394011208.db2.gz YQWISOYMTIIANB-HNNXBMFYSA-N 2 0 297.487 2.532 20 0 CFADRP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000274765415 394043750 /nfs/dbraw/zinc/04/37/50/394043750.db2.gz LCPFWEWBEHQZHX-GOSISDBHSA-N 2 0 297.402 2.569 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCOC2)C1 ZINC000437703601 394069625 /nfs/dbraw/zinc/06/96/25/394069625.db2.gz WNOOMCOKEWWNSU-SQNIBIBYSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCOC2)C1 ZINC000437703598 394070156 /nfs/dbraw/zinc/07/01/56/394070156.db2.gz WNOOMCOKEWWNSU-FGTMMUONSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000128533125 394071296 /nfs/dbraw/zinc/07/12/96/394071296.db2.gz YAOSTFYBCPNCNY-STQMWFEESA-N 2 0 279.472 2.510 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCSc2ccccc2)CN1C1CC1 ZINC000128563018 394072410 /nfs/dbraw/zinc/07/24/10/394072410.db2.gz QTQCNUTYCUATFK-ZIAGYGMSSA-N 2 0 276.449 2.994 20 0 CFADRP CCCOc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000437769810 394073591 /nfs/dbraw/zinc/07/35/91/394073591.db2.gz FBGYQJDATYQHMH-UHFFFAOYSA-N 2 0 292.423 2.844 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000437776243 394073838 /nfs/dbraw/zinc/07/38/38/394073838.db2.gz OUFPZYBOKCLGNZ-JSGCOSHPSA-N 2 0 252.789 2.915 20 0 CFADRP COc1ccc(C2CCC([NH2+]CCC[NH3+])CC2)cc1 ZINC000437785742 394075372 /nfs/dbraw/zinc/07/53/72/394075372.db2.gz ARUPAQWTLJJCIG-UHFFFAOYSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCCOC1 ZINC000356834066 394081218 /nfs/dbraw/zinc/08/12/18/394081218.db2.gz FWRQBXJSISRVFY-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP C[NH2+]C[C@@H](C)CNc1c(C)c[nH+]c2c(C)cccc12 ZINC000420195547 394092388 /nfs/dbraw/zinc/09/23/88/394092388.db2.gz KHNZNAHPAAPKOF-LLVKDONJSA-N 2 0 257.381 2.541 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281933140 394097582 /nfs/dbraw/zinc/09/75/82/394097582.db2.gz KMRIZEPUGIZAOE-AWEZNQCLSA-N 2 0 285.435 2.955 20 0 CFADRP Cc1cc(NCc2ccc([C@H](C)[NH3+])cc2)nc(C(C)C)n1 ZINC000420218812 394098449 /nfs/dbraw/zinc/09/84/49/394098449.db2.gz WTMBKNBXUUEBSF-ZDUSSCGKSA-N 2 0 284.407 2.962 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353387328 394029447 /nfs/dbraw/zinc/02/94/47/394029447.db2.gz OMBHELPXDXYODZ-BSDSXHPESA-N 2 0 288.435 2.837 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000130223351 394106355 /nfs/dbraw/zinc/10/63/55/394106355.db2.gz ZPBWBVZTVAASKH-YOEHRIQHSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2)CC[N@@H+]1C ZINC000130264397 394107448 /nfs/dbraw/zinc/10/74/48/394107448.db2.gz ZQVRWUBAIKIARG-HUUCEWRRSA-N 2 0 262.397 2.528 20 0 CFADRP C[NH2+]C[C@H]1CCCN(Cc2ccc(Cl)cc2OC)C1 ZINC000420274964 394112831 /nfs/dbraw/zinc/11/28/31/394112831.db2.gz PMLWCFITRFDERV-GFCCVEGCSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1cc(C)cc(NC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+])c1 ZINC000420283570 394115565 /nfs/dbraw/zinc/11/55/65/394115565.db2.gz CEMQXFLTMMXVLQ-CQSZACIVSA-N 2 0 291.439 2.547 20 0 CFADRP Fc1ccc(F)c2c1CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000420301044 394116831 /nfs/dbraw/zinc/11/68/31/394116831.db2.gz KXVFHJWTYCEKDX-GFCCVEGCSA-N 2 0 280.362 2.713 20 0 CFADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000420311922 394117010 /nfs/dbraw/zinc/11/70/10/394117010.db2.gz WHQZEJHVCZIKCZ-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420354772 394118442 /nfs/dbraw/zinc/11/84/42/394118442.db2.gz DIXTVUIVCPOGSF-RHSMWYFYSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420385814 394119203 /nfs/dbraw/zinc/11/92/03/394119203.db2.gz IEBQGYMENSCYTG-OLMNPRSZSA-N 2 0 288.435 2.966 20 0 CFADRP c1ccc(SCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420387247 394119797 /nfs/dbraw/zinc/11/97/97/394119797.db2.gz VWLGUAWFVYSYRD-MRXNPFEDSA-N 2 0 276.449 2.854 20 0 CFADRP C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420919626 394126333 /nfs/dbraw/zinc/12/63/33/394126333.db2.gz ZOVHIWMTGOWSIV-JKSUJKDBSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359201330 394126717 /nfs/dbraw/zinc/12/67/17/394126717.db2.gz ZXKBMFFMGWZIEV-MAUKXSAKSA-N 2 0 288.435 2.838 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000131915786 394143917 /nfs/dbraw/zinc/14/39/17/394143917.db2.gz MZSQSQWILNPUPN-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(F)(F)F ZINC000359969800 394143813 /nfs/dbraw/zinc/14/38/13/394143813.db2.gz JAWBUKFXVRSWSH-YTWAJWBKSA-N 2 0 252.324 2.503 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1OCCc2ccccc21 ZINC000360055257 394144456 /nfs/dbraw/zinc/14/44/56/394144456.db2.gz GVPIBIPMIISETB-KJWYOANISA-N 2 0 288.435 2.619 20 0 CFADRP CN(CCC[N@H+](C)Cc1ccccn1)Cc1ccco1 ZINC000285642708 394145063 /nfs/dbraw/zinc/14/50/63/394145063.db2.gz LVGMIVROAFMGNW-UHFFFAOYSA-N 2 0 273.380 2.629 20 0 CFADRP CC[C@@H](C)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976420 394146035 /nfs/dbraw/zinc/14/60/35/394146035.db2.gz GZFSIDWRYJQRIG-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](C)[C@@H]1CC ZINC000447309000 394151156 /nfs/dbraw/zinc/15/11/56/394151156.db2.gz JQUXOEAAQKNLKZ-XABIJQAGSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000448022071 394154847 /nfs/dbraw/zinc/15/48/47/394154847.db2.gz MILCTSLKZFWHLK-DOTOQJQBSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000361284889 394169512 /nfs/dbraw/zinc/16/95/12/394169512.db2.gz FLWLFGRVUOQVPT-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000421368972 394205258 /nfs/dbraw/zinc/20/52/58/394205258.db2.gz CELBKRIJRIXSNX-GFCCVEGCSA-N 2 0 258.369 2.711 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000364390332 394208436 /nfs/dbraw/zinc/20/84/36/394208436.db2.gz XENYFKRQBDUCBT-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)O1 ZINC000449081964 394214367 /nfs/dbraw/zinc/21/43/67/394214367.db2.gz JEUTVABDGFBBIB-FZKCQIBNSA-N 2 0 268.445 2.797 20 0 CFADRP COCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000449130556 394222928 /nfs/dbraw/zinc/22/29/28/394222928.db2.gz HBSWWCDSKKTDDH-CGZBRXJRSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449131211 394224083 /nfs/dbraw/zinc/22/40/83/394224083.db2.gz KVFGCSXNBOMFGN-HOTGVXAUSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422885021 394257464 /nfs/dbraw/zinc/25/74/64/394257464.db2.gz GHALBUYAUXIOSI-OFQRWUPVSA-N 2 0 274.408 2.673 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNCc2cc(F)c(F)cc2F)C1 ZINC000136093326 394229553 /nfs/dbraw/zinc/22/95/53/394229553.db2.gz AHECQEPWNUZLJL-JTQLQIEISA-N 2 0 272.314 2.535 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000138091445 394241319 /nfs/dbraw/zinc/24/13/19/394241319.db2.gz XULDLUGEFHOHAJ-JKSUJKDBSA-N 2 0 278.444 2.516 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000449191616 394247976 /nfs/dbraw/zinc/24/79/76/394247976.db2.gz PSHKBDBJNVTZQD-KBMXLJTQSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CCSCC3)CC[N@@H+]1C ZINC000421879435 394248113 /nfs/dbraw/zinc/24/81/13/394248113.db2.gz NDPZSPKBZMQSPP-HZSPNIEDSA-N 2 0 268.470 2.592 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCCCN1C1CC1 ZINC000367078268 394251136 /nfs/dbraw/zinc/25/11/36/394251136.db2.gz PIJVZZGEIVVFQU-JKSUJKDBSA-N 2 0 278.440 2.552 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367357074 394254316 /nfs/dbraw/zinc/25/43/16/394254316.db2.gz TXEFJKIHEGUTQM-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421323705 394187329 /nfs/dbraw/zinc/18/73/29/394187329.db2.gz GXCRRKUFTSFZNL-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OC ZINC000362977697 394192967 /nfs/dbraw/zinc/19/29/67/394192967.db2.gz TUMSJABOZOCVKJ-RBZJEDDUSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422961831 394260246 /nfs/dbraw/zinc/26/02/46/394260246.db2.gz BDJSUVIBRHPHFH-OFQRWUPVSA-N 2 0 278.440 2.504 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072943 394262938 /nfs/dbraw/zinc/26/29/38/394262938.db2.gz QSJLHWFURSNLOM-OLZOCXBDSA-N 2 0 284.350 2.548 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000423070819 394263393 /nfs/dbraw/zinc/26/33/93/394263393.db2.gz DNWICTRJBNPZRL-ZDUSSCGKSA-N 2 0 261.413 2.568 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368009980 394264800 /nfs/dbraw/zinc/26/48/00/394264800.db2.gz YWCNWXWQIWLMPZ-BBWFWOEESA-N 2 0 295.515 2.959 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423078140 394265269 /nfs/dbraw/zinc/26/52/69/394265269.db2.gz VFMRBDKRCISLMS-PBHICJAKSA-N 2 0 275.440 2.986 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423077153 394265435 /nfs/dbraw/zinc/26/54/35/394265435.db2.gz LFHALNDAIQKZRO-VDHUWJSZSA-N 2 0 288.435 2.742 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423078628 394265482 /nfs/dbraw/zinc/26/54/82/394265482.db2.gz OTQQYAGZSUCPCC-QGZVFWFLSA-N 2 0 276.424 2.798 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423085941 394267123 /nfs/dbraw/zinc/26/71/23/394267123.db2.gz KXGXTVISUJISRC-FZMZJTMJSA-N 2 0 270.804 2.745 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC1CCCCC1 ZINC000423086894 394267401 /nfs/dbraw/zinc/26/74/01/394267401.db2.gz MWCMDOHZCFNMPL-DZGCQCFKSA-N 2 0 256.434 2.689 20 0 CFADRP c1ccc(N2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423085583 394267610 /nfs/dbraw/zinc/26/76/10/394267610.db2.gz KVNQCYVEPBHHGY-XNHLSEOASA-N 2 0 299.462 2.776 20 0 CFADRP CC1CCC(C)(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423088004 394268505 /nfs/dbraw/zinc/26/85/05/394268505.db2.gz QURGZUWGPUEZRO-XTJLLSPMSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000423092373 394269471 /nfs/dbraw/zinc/26/94/71/394269471.db2.gz BPHXSHRGUDLYED-LEOMRAHMSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1C ZINC000152093049 394270216 /nfs/dbraw/zinc/27/02/16/394270216.db2.gz UUSYBJIHBDCZSJ-QAPCUYQASA-N 3 0 298.434 2.504 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1C ZINC000152092964 394270340 /nfs/dbraw/zinc/27/03/40/394270340.db2.gz UUSYBJIHBDCZSJ-MAUKXSAKSA-N 3 0 298.434 2.504 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000423100170 394270460 /nfs/dbraw/zinc/27/04/60/394270460.db2.gz GLXLSSCUGSLGNU-VQIMIIECSA-N 2 0 297.446 2.871 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1C ZINC000152092887 394270536 /nfs/dbraw/zinc/27/05/36/394270536.db2.gz UUSYBJIHBDCZSJ-CRAIPNDOSA-N 3 0 298.434 2.504 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423093134 394270533 /nfs/dbraw/zinc/27/05/33/394270533.db2.gz FXQLHIYAHGQSLZ-HJPIBITLSA-N 2 0 266.335 2.680 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCCC1 ZINC000423147791 394271946 /nfs/dbraw/zinc/27/19/46/394271946.db2.gz DKIMIJRHKGSQDP-IXDOHACOSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423215568 394273494 /nfs/dbraw/zinc/27/34/94/394273494.db2.gz QUOINKURLVCKSX-YOEHRIQHSA-N 2 0 258.409 2.962 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCCCCF)C2)CC1 ZINC000368504356 394273921 /nfs/dbraw/zinc/27/39/21/394273921.db2.gz PTIITUOCFZBHHV-UHFFFAOYSA-N 2 0 256.409 2.934 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423226986 394273944 /nfs/dbraw/zinc/27/39/44/394273944.db2.gz TVEKJTTWCPDRGW-IINYFYTJSA-N 2 0 297.240 2.633 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423226985 394274140 /nfs/dbraw/zinc/27/41/40/394274140.db2.gz TVEKJTTWCPDRGW-HZMBPMFUSA-N 2 0 297.240 2.633 20 0 CFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000423228606 394274253 /nfs/dbraw/zinc/27/42/53/394274253.db2.gz DIFIGVJAXDYURG-PIMMBPRGSA-N 2 0 290.407 2.551 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423226385 394274256 /nfs/dbraw/zinc/27/42/56/394274256.db2.gz QMQYWQKEBUVGKX-XJKSGUPXSA-N 2 0 284.407 2.577 20 0 CFADRP FCC(CF)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000449380250 394274925 /nfs/dbraw/zinc/27/49/25/394274925.db2.gz MKWFONIJCZZWGM-HYVNUMGLSA-N 2 0 294.389 2.794 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423250794 394275059 /nfs/dbraw/zinc/27/50/59/394275059.db2.gz VLJLPPHONZFQEB-JLSDUUJJSA-N 2 0 289.467 2.930 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423269592 394275658 /nfs/dbraw/zinc/27/56/58/394275658.db2.gz VWXOREWMPMKBEU-NXHRZFHOSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423366088 394278736 /nfs/dbraw/zinc/27/87/36/394278736.db2.gz BMXVLCRBWOKJLR-CWRNSKLLSA-N 2 0 284.407 2.793 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000423399796 394279627 /nfs/dbraw/zinc/27/96/27/394279627.db2.gz VCKNTLOGBMPELK-UHTWSYAYSA-N 2 0 297.468 2.561 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423375006 394279642 /nfs/dbraw/zinc/27/96/42/394279642.db2.gz IOGNHEHYCBYZON-JKIFEVAISA-N 2 0 274.408 2.932 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423376033 394279699 /nfs/dbraw/zinc/27/96/99/394279699.db2.gz IZPJPPFBGOGIJC-HBNTYKKESA-N 2 0 254.399 2.677 20 0 CFADRP C([C@@H]1CCSC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000369481623 394280241 /nfs/dbraw/zinc/28/02/41/394280241.db2.gz JANZVOHXEZWTRQ-SQWLQELKSA-N 2 0 280.481 2.688 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423420627 394281026 /nfs/dbraw/zinc/28/10/26/394281026.db2.gz BQLBRKCEWVQMDS-NJAFHUGGSA-N 2 0 289.467 2.929 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)CCCC[NH3+])CC2 ZINC000423431191 394281395 /nfs/dbraw/zinc/28/13/95/394281395.db2.gz LNSVPMPLAPUHQM-SWLSCSKDSA-N 2 0 292.423 2.798 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423454210 394282178 /nfs/dbraw/zinc/28/21/78/394282178.db2.gz LJEBJRYKCMVTBN-SWLSCSKDSA-N 2 0 278.396 2.641 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C[NH+](C)C ZINC000293282442 394282347 /nfs/dbraw/zinc/28/23/47/394282347.db2.gz CVTXULXIPNPADX-NHYWBVRUSA-N 2 0 250.361 2.600 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCC[NH3+])CCCO2 ZINC000423446395 394282507 /nfs/dbraw/zinc/28/25/07/394282507.db2.gz CNWBUWITGSFAJE-HIFRSBDPSA-N 2 0 262.397 2.926 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423503280 394284637 /nfs/dbraw/zinc/28/46/37/394284637.db2.gz KIKMTMPAAXXLQX-KSZLIROESA-N 2 0 290.451 2.945 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cn[nH]c1 ZINC000423507567 394285402 /nfs/dbraw/zinc/28/54/02/394285402.db2.gz JONYAMVOFDRTIP-SWLSCSKDSA-N 2 0 258.369 2.541 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC000423524012 394289841 /nfs/dbraw/zinc/28/98/41/394289841.db2.gz WTCSSIUBOZWQRT-SFHVURJKSA-N 2 0 287.451 2.683 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534883 394293084 /nfs/dbraw/zinc/29/30/84/394293084.db2.gz BKGIPYCMUMIVOQ-CYBMUJFWSA-N 2 0 264.438 2.969 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536384 394293198 /nfs/dbraw/zinc/29/31/98/394293198.db2.gz HPLIISWHULAUOB-OAHLLOKOSA-N 2 0 278.346 2.852 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537542 394293928 /nfs/dbraw/zinc/29/39/28/394293928.db2.gz KIXAPTRHCXPMCJ-CQSZACIVSA-N 2 0 298.434 2.783 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000423540619 394293988 /nfs/dbraw/zinc/29/39/88/394293988.db2.gz KBQBGQYBHPPKBM-HWMZRRJGSA-N 2 0 273.424 2.901 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538994 394294249 /nfs/dbraw/zinc/29/42/49/394294249.db2.gz HLOQSIVDUQTMTR-SLBVQIDZSA-N 2 0 276.399 2.734 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423544314 394294749 /nfs/dbraw/zinc/29/47/49/394294749.db2.gz IOUKJZZCUMBIJZ-AHDPXTMNSA-N 2 0 250.430 2.789 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC12CCSCC2)[C@@H]1CCC[NH2+]1 ZINC000423548865 394295622 /nfs/dbraw/zinc/29/56/22/394295622.db2.gz MZLSOALDSHDQKI-MCIONIFRSA-N 2 0 268.470 2.640 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1OC ZINC000423553641 394296326 /nfs/dbraw/zinc/29/63/26/394296326.db2.gz KOQUZSAWIIYXMB-ZDUSSCGKSA-N 2 0 292.423 2.805 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423563201 394298111 /nfs/dbraw/zinc/29/81/11/394298111.db2.gz RCYNVAINVFVUAM-INIZCTEOSA-N 2 0 262.372 2.935 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423566343 394298276 /nfs/dbraw/zinc/29/82/76/394298276.db2.gz UESVRNZETRZBLU-INIZCTEOSA-N 2 0 260.381 2.501 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1F ZINC000423570080 394299101 /nfs/dbraw/zinc/29/91/01/394299101.db2.gz WUPCZXLFXWMGTP-NSHDSACASA-N 2 0 266.335 2.925 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371199527 394299191 /nfs/dbraw/zinc/29/91/91/394299191.db2.gz UEAQRNAXEFMLKY-MSOLQXFVSA-N 2 0 293.499 2.669 20 0 CFADRP COCC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371497982 394300989 /nfs/dbraw/zinc/30/09/89/394300989.db2.gz UVENSCKZRWXDLX-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)s1 ZINC000154915524 394305097 /nfs/dbraw/zinc/30/50/97/394305097.db2.gz BKYDJJKMSJGZAB-TZMCWYRMSA-N 2 0 295.496 2.651 20 0 CFADRP CCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155036625 394308744 /nfs/dbraw/zinc/30/87/44/394308744.db2.gz KKXJZSGDCMBXPH-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[C@@H](O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000450651059 394309841 /nfs/dbraw/zinc/30/98/41/394309841.db2.gz KVIHDIYWIGHYKY-GOSISDBHSA-N 2 0 296.499 2.981 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493884508 394334864 /nfs/dbraw/zinc/33/48/64/394334864.db2.gz YGRAJYNFHGZXGX-UHFFFAOYSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)[NH+]1CCC(N(C)CC[NH+]2CCC(C)CC2)CC1 ZINC000493884443 394335016 /nfs/dbraw/zinc/33/50/16/394335016.db2.gz XZWUZULTQMEOTI-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000155740922 394322209 /nfs/dbraw/zinc/32/22/09/394322209.db2.gz YOPUIXMMARDHMV-IAGOWNOFSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000156657417 394336849 /nfs/dbraw/zinc/33/68/49/394336849.db2.gz DPRRYBGIVLMQLV-GASCZTMLSA-N 2 0 280.456 2.608 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC(C)(C)COC)c1 ZINC000494015020 394339691 /nfs/dbraw/zinc/33/96/91/394339691.db2.gz FCIWVZUHBGLZEK-UHFFFAOYSA-N 2 0 278.440 2.901 20 0 CFADRP CC[C@H]([NH2+]CCN(C)C1CCCCC1)[C@H]1CCOC1 ZINC000157449218 394345551 /nfs/dbraw/zinc/34/55/51/394345551.db2.gz IOHZRSUOEZQNGF-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)C1CCCCC1)[C@@H]1CCOC1 ZINC000157449060 394345595 /nfs/dbraw/zinc/34/55/95/394345595.db2.gz IOHZRSUOEZQNGF-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCOC1 ZINC000157943218 394352196 /nfs/dbraw/zinc/35/21/96/394352196.db2.gz RGZUBUGLONPNIZ-YESZJQIVSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000157926908 394352269 /nfs/dbraw/zinc/35/22/69/394352269.db2.gz KSMJQTQVKPOFDJ-GJZGRUSLSA-N 2 0 278.444 2.583 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000157948618 394352879 /nfs/dbraw/zinc/35/28/79/394352879.db2.gz OQXBRGPFMAOYAF-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(C)c1 ZINC000158584808 394359034 /nfs/dbraw/zinc/35/90/34/394359034.db2.gz MDEUOQSMTVLFRZ-WMZOPIPTSA-N 2 0 289.467 2.751 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000494636807 394361096 /nfs/dbraw/zinc/36/10/96/394361096.db2.gz YPJNWTAHOGLDHE-YOEHRIQHSA-N 2 0 288.435 2.916 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)O1 ZINC000451132490 394361813 /nfs/dbraw/zinc/36/18/13/394361813.db2.gz IQWNRLIDWAWMBM-RFGFWPKPSA-N 2 0 256.434 2.508 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cccn2C)C1 ZINC000161663004 394367473 /nfs/dbraw/zinc/36/74/73/394367473.db2.gz BWKUUGGNCWPLMM-HNNXBMFYSA-N 2 0 263.429 2.627 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000164515328 394369399 /nfs/dbraw/zinc/36/93/99/394369399.db2.gz SHUFLWPYAHWVHV-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC(C)(C)CO ZINC000451246796 394370553 /nfs/dbraw/zinc/37/05/53/394370553.db2.gz AVDUAVFNINAWGG-UHFFFAOYSA-N 2 0 287.407 2.631 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519615349 394372097 /nfs/dbraw/zinc/37/20/97/394372097.db2.gz ZZPSTDIIKSQLTD-FUHWJXTLSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@H](C[NH2+]CC1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000519617768 394372446 /nfs/dbraw/zinc/37/24/46/394372446.db2.gz WAGKLPISMBBEQX-OAHLLOKOSA-N 2 0 272.436 2.723 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000452115191 394379099 /nfs/dbraw/zinc/37/90/99/394379099.db2.gz LFBAKHDVTFKZAK-IAGOWNOFSA-N 2 0 281.488 2.664 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000520406901 394380774 /nfs/dbraw/zinc/38/07/74/394380774.db2.gz UOQITBQCUPOOLT-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccncc1 ZINC000453129853 394381876 /nfs/dbraw/zinc/38/18/76/394381876.db2.gz KVHMLALZFJCBDA-JYJNAYRXSA-N 2 0 261.413 2.995 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000527639417 394394669 /nfs/dbraw/zinc/39/46/69/394394669.db2.gz CLRDZSSMPNOCSA-VDERGJSUSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000527640011 394394738 /nfs/dbraw/zinc/39/47/38/394394738.db2.gz HFKHAASUGIEZSM-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]CC1(F)CC1 ZINC000527514292 394387281 /nfs/dbraw/zinc/38/72/81/394387281.db2.gz PQWQXZSXJUSNQS-UHFFFAOYSA-N 2 0 294.414 2.999 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000453344807 394388552 /nfs/dbraw/zinc/38/85/52/394388552.db2.gz JFSYWOZYONFIOL-CJNGLKHVSA-N 2 0 264.388 2.606 20 0 CFADRP C1C[C@@H]2C[C@H]([NH+]3CCC[C@]4(CCSC4)C3)CC[N@@H+]2C1 ZINC000453350368 394388695 /nfs/dbraw/zinc/38/86/95/394388695.db2.gz HXSHOZSLBKPNRX-OAGGEKHMSA-N 2 0 280.481 2.832 20 0 CFADRP Cc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccn1 ZINC000527539245 394390241 /nfs/dbraw/zinc/39/02/41/394390241.db2.gz PQPAMHQVSYXYQE-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP C[C@H]([NH2+]CCOC1CCCCC1)C1CC[NH+](C)CC1 ZINC000111636320 542891041 /nfs/dbraw/zinc/89/10/41/542891041.db2.gz NMCFFCFOZXQLAR-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)C1 ZINC000453405644 394398511 /nfs/dbraw/zinc/39/85/11/394398511.db2.gz JQTZTLLLQUFHSU-RKTXRCNFSA-N 2 0 280.456 2.533 20 0 CFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CC2 ZINC000280216641 542897135 /nfs/dbraw/zinc/89/71/35/542897135.db2.gz ULLLJBJPTSYAEA-WFASDCNBSA-N 2 0 292.423 2.621 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453431965 394403295 /nfs/dbraw/zinc/40/32/95/394403295.db2.gz RYKOIVNBCJXJJA-KBUPBQIOSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cccs2)C1 ZINC000685455212 542916393 /nfs/dbraw/zinc/91/63/93/542916393.db2.gz JQTGGPLDNNWIDB-KGLIPLIRSA-N 2 0 266.454 2.999 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cccs2)C1 ZINC000685455211 542916454 /nfs/dbraw/zinc/91/64/54/542916454.db2.gz JQTGGPLDNNWIDB-KBPBESRZSA-N 2 0 266.454 2.999 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC2CCOCC2)C1 ZINC000685455702 542916674 /nfs/dbraw/zinc/91/66/74/542916674.db2.gz NASJFZHPMDZPCM-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP COC1(C[NH2+]C[C@@H]2CCN2C2CCCC2)CCCC1 ZINC000527812519 394411988 /nfs/dbraw/zinc/41/19/88/394411988.db2.gz USXULTVXDKAYSQ-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC(F)(F)C1 ZINC000529596091 394413393 /nfs/dbraw/zinc/41/33/93/394413393.db2.gz LXBITEPKTDFXTF-NSNUZPRRSA-N 2 0 258.356 2.635 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527860026 394418063 /nfs/dbraw/zinc/41/80/63/394418063.db2.gz TZXMUHDNOBNSGE-ZNMIVQPWSA-N 2 0 250.430 2.885 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)OCC ZINC000527931817 394427968 /nfs/dbraw/zinc/42/79/68/394427968.db2.gz NNDHOGAGQWOWLA-GBJTYRQASA-N 2 0 256.434 2.510 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527949557 394430604 /nfs/dbraw/zinc/43/06/04/394430604.db2.gz OBUQZOIOIBNWQL-SFHVURJKSA-N 2 0 293.499 2.857 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530208687 394480852 /nfs/dbraw/zinc/48/08/52/394480852.db2.gz GVCMAYLPHAWBHL-MFJPSTHOSA-N 2 0 276.811 2.695 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCCC1(C)C ZINC000530212136 394481723 /nfs/dbraw/zinc/48/17/23/394481723.db2.gz QYUFEIAKXGDGNT-LJISPDSOSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]([NH2+]CC1CCc2ccccc2CC1)[C@H]1CCC[NH2+]1 ZINC000530214295 394483159 /nfs/dbraw/zinc/48/31/59/394483159.db2.gz XEGUBQKYRONUIT-KBXCAEBGSA-N 2 0 272.436 2.912 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530217172 394484912 /nfs/dbraw/zinc/48/49/12/394484912.db2.gz SCPWADVBQNHHAC-WOPDTQHZSA-N 2 0 276.346 2.982 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000530218516 394486614 /nfs/dbraw/zinc/48/66/14/394486614.db2.gz GOEXWIIEBYULMQ-IXDOHACOSA-N 2 0 273.424 2.790 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000530225476 394489445 /nfs/dbraw/zinc/48/94/45/394489445.db2.gz ZZATWODPMBCVEO-GOEBONIOSA-N 2 0 291.439 2.533 20 0 CFADRP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000530225318 394489894 /nfs/dbraw/zinc/48/98/94/394489894.db2.gz VOCRAWQKLGXFDC-HABKJSAYSA-N 2 0 270.367 2.638 20 0 CFADRP Clc1cccnc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000530225380 394490280 /nfs/dbraw/zinc/49/02/80/394490280.db2.gz YWURDDLFJQFZLX-ZDUSSCGKSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530227533 394492054 /nfs/dbraw/zinc/49/20/54/394492054.db2.gz YTBAPQLFTPMPAO-HDOMROIWSA-N 2 0 260.381 2.533 20 0 CFADRP C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000530232103 394493023 /nfs/dbraw/zinc/49/30/23/394493023.db2.gz NEXIBZOYBUIXOZ-GFCCVEGCSA-N 2 0 280.362 2.952 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000530243249 394495208 /nfs/dbraw/zinc/49/52/08/394495208.db2.gz GHBDIFBNUWHNIE-ZBFHGGJFSA-N 2 0 258.409 2.739 20 0 CFADRP c1[nH]c2ncccc2c1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000537093201 394575408 /nfs/dbraw/zinc/57/54/08/394575408.db2.gz BOSNRTHAVZXEMR-UHFFFAOYSA-N 2 0 298.434 2.569 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000535811436 394547131 /nfs/dbraw/zinc/54/71/31/394547131.db2.gz FBAHABGMFILVIZ-UHFFFAOYSA-N 2 0 276.424 2.944 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536263527 394554318 /nfs/dbraw/zinc/55/43/18/394554318.db2.gz LVWVMOXCHKXQIO-DZGCQCFKSA-N 2 0 255.365 2.971 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000537939733 394595001 /nfs/dbraw/zinc/59/50/01/394595001.db2.gz BYDRDIQTWHISQA-XLWOMWCVSA-N 2 0 276.468 2.989 20 0 CFADRP O=C1CC[C@@H]([NH2+]CCCCn2ccnc2)c2ccccc2N1 ZINC000541548795 394675981 /nfs/dbraw/zinc/67/59/81/394675981.db2.gz MVEQPJGITJXTJG-OAHLLOKOSA-N 2 0 298.390 2.727 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)Cc2ccsc2)C1 ZINC000542163532 394696861 /nfs/dbraw/zinc/69/68/61/394696861.db2.gz OIVJNNKNYXFYGW-DZGCQCFKSA-N 2 0 266.454 2.953 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000542682996 394710514 /nfs/dbraw/zinc/71/05/14/394710514.db2.gz YVKBXUHDGVYFGM-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000547704854 394882543 /nfs/dbraw/zinc/88/25/43/394882543.db2.gz CALJGLZLPSVUQZ-LBPRGKRZSA-N 2 0 290.436 2.570 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccnn1-c1ccccc1 ZINC000281120523 542942973 /nfs/dbraw/zinc/94/29/73/542942973.db2.gz DEQHPTIAMMIODD-HNNXBMFYSA-N 2 0 286.423 2.865 20 0 CFADRP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccccc23)C[N@@H+]1C1CC1 ZINC000685909917 542956435 /nfs/dbraw/zinc/95/64/35/542956435.db2.gz KFZDKWOWJJMWAK-QWHCGFSZSA-N 2 0 267.376 2.694 20 0 CFADRP C[C@H]1C[C@H](Nc2cc[nH+]c3c(O)cccc23)C[N@@H+]1C1CC1 ZINC000685909829 542956777 /nfs/dbraw/zinc/95/67/77/542956777.db2.gz FZZXROHVONNUOK-RYUDHWBXSA-N 2 0 283.375 2.978 20 0 CFADRP OCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000547972306 394901186 /nfs/dbraw/zinc/90/11/86/394901186.db2.gz OWEVKIMJDJCBMF-DOMZBBRYSA-N 2 0 291.420 2.575 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)C ZINC000556863135 395021666 /nfs/dbraw/zinc/02/16/66/395021666.db2.gz OWDDWAULJDTZRF-BDXSIMOUSA-N 2 0 295.515 2.815 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+](C)C ZINC000556863139 395022486 /nfs/dbraw/zinc/02/24/86/395022486.db2.gz OWDDWAULJDTZRF-MHORFTMASA-N 2 0 295.515 2.815 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000555104682 394965967 /nfs/dbraw/zinc/96/59/67/394965967.db2.gz QFZDFQNDYQAGAY-UHFFFAOYSA-N 2 0 272.436 2.723 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc21 ZINC000555239545 394968768 /nfs/dbraw/zinc/96/87/68/394968768.db2.gz RNNSMQYBQOCBFX-IXDOHACOSA-N 2 0 298.434 2.536 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc21 ZINC000555239546 394968964 /nfs/dbraw/zinc/96/89/64/394968964.db2.gz RNNSMQYBQOCBFX-ULQDDVLXSA-N 2 0 298.434 2.536 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000558152810 395052978 /nfs/dbraw/zinc/05/29/78/395052978.db2.gz XTZVIOYQHZYOSQ-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000558151881 395053341 /nfs/dbraw/zinc/05/33/41/395053341.db2.gz DIJXFCDSSHLGDU-ULQDDVLXSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C[C@@H](C)O1 ZINC000558698475 395072419 /nfs/dbraw/zinc/07/24/19/395072419.db2.gz ALELRHJIDHNOMP-UUAJXVIYSA-N 2 0 280.456 2.654 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000558699523 395072621 /nfs/dbraw/zinc/07/26/21/395072621.db2.gz OPLGGAYPQKCJKA-DLBZAZTESA-N 2 0 299.478 2.522 20 0 CFADRP CC(C)(C[NH2+]Cc1ccc2[nH]cnc2c1)C[NH+]1CCCC1 ZINC000558771241 395076066 /nfs/dbraw/zinc/07/60/66/395076066.db2.gz HUIYSDHTOMXKBE-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000570624352 395085350 /nfs/dbraw/zinc/08/53/50/395085350.db2.gz BSSFFZKWGBWZAQ-MNOVXSKESA-N 2 0 272.339 2.546 20 0 CFADRP C[NH+](C)C1CC([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000578786862 395096213 /nfs/dbraw/zinc/09/62/13/395096213.db2.gz WVNGCSRRBQZFKV-UHFFFAOYSA-N 2 0 296.455 2.569 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000557702847 395044589 /nfs/dbraw/zinc/04/45/89/395044589.db2.gz PXVXOFQKRSVAFP-BRWVUGGUSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000648416021 395134769 /nfs/dbraw/zinc/13/47/69/395134769.db2.gz FPBSCAHZEKJSSL-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000648448162 395147656 /nfs/dbraw/zinc/14/76/56/395147656.db2.gz NUTQRNFEXYJHEZ-FOLVSLTJSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000180808636 543016345 /nfs/dbraw/zinc/01/63/45/543016345.db2.gz VEZMCFKGMKHNAL-CYBMUJFWSA-N 2 0 299.422 2.680 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCO1 ZINC000648483961 395168368 /nfs/dbraw/zinc/16/83/68/395168368.db2.gz WCLADAXKXLISTN-FJBKBRRZSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000180133954 543010650 /nfs/dbraw/zinc/01/06/50/543010650.db2.gz JWJQJKVMOZSDGC-AWEZNQCLSA-N 2 0 278.444 2.881 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC000648495901 395174667 /nfs/dbraw/zinc/17/46/67/395174667.db2.gz KZCAZZYNDCYIPE-IAGOWNOFSA-N 2 0 276.424 2.795 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@@H](C)C2)c1 ZINC000647176310 395201487 /nfs/dbraw/zinc/20/14/87/395201487.db2.gz BDDPRGSFOWSFEH-WMLDXEAASA-N 2 0 276.424 2.794 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CO1 ZINC000647195838 395217060 /nfs/dbraw/zinc/21/70/60/395217060.db2.gz GEGJTPVGXVABFL-GYXIZQIFSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CCC(OC(F)F)CC2)CC1 ZINC000648817977 395325206 /nfs/dbraw/zinc/32/52/06/395325206.db2.gz HVTHESYIYBBHOD-UHFFFAOYSA-N 2 0 290.398 2.999 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)CC(F)F ZINC000647319597 395288285 /nfs/dbraw/zinc/28/82/85/395288285.db2.gz FJXRKVBCIXRFGQ-WUHRBBMRSA-N 2 0 260.372 2.740 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480500 395354138 /nfs/dbraw/zinc/35/41/38/395354138.db2.gz POCWPKJJPVNWRF-WBVHZDCISA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)[C@H]1C[NH3+] ZINC000647496708 395358396 /nfs/dbraw/zinc/35/83/96/395358396.db2.gz DCLPHBUBRBFCPH-PBHICJAKSA-N 2 0 296.418 2.703 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1cccc(-c2cccnc2)c1 ZINC000647497006 395360100 /nfs/dbraw/zinc/36/01/00/395360100.db2.gz OZYYYKOUZCALAP-UHFFFAOYSA-N 2 0 255.365 2.529 20 0 CFADRP CC[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000647497507 395360321 /nfs/dbraw/zinc/36/03/21/395360321.db2.gz JPGNWZUAGCKIRQ-RDJZCZTQSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000647497306 395360384 /nfs/dbraw/zinc/36/03/84/395360384.db2.gz CGEVKEGCVHQMOP-QSPRXWTASA-N 2 0 258.409 2.849 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1[NH3+] ZINC000647497513 395360859 /nfs/dbraw/zinc/36/08/59/395360859.db2.gz JPOQMRHVEHGNRK-GDBMZVCRSA-N 2 0 288.435 2.959 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4cnccc43)C[C@@H]21 ZINC000647511962 395367403 /nfs/dbraw/zinc/36/74/03/395367403.db2.gz WKWMWQOTQKSLRI-BPQIPLTHSA-N 2 0 281.403 2.794 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000647516402 395371315 /nfs/dbraw/zinc/37/13/15/395371315.db2.gz PBHGYFJSNCMVOQ-DLBZAZTESA-N 2 0 258.409 2.995 20 0 CFADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000647518191 395372143 /nfs/dbraw/zinc/37/21/43/395372143.db2.gz MMNXPBKGQJLGNW-SJLPKXTDSA-N 2 0 287.451 2.717 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000647535829 395380806 /nfs/dbraw/zinc/38/08/06/395380806.db2.gz WTDXYFACIBMZCI-GFCCVEGCSA-N 2 0 279.453 2.583 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CC[NH2+]C1 ZINC000647537834 395381164 /nfs/dbraw/zinc/38/11/64/395381164.db2.gz OUBIOAATEAZNIY-JKSUJKDBSA-N 2 0 260.381 2.529 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647541543 395383396 /nfs/dbraw/zinc/38/33/96/395383396.db2.gz ZPWZVXWIBKRGSZ-YJBOKZPZSA-N 2 0 286.419 2.628 20 0 CFADRP c1ccc2c(c1)ccnc2C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000647542582 395384509 /nfs/dbraw/zinc/38/45/09/395384509.db2.gz RSUHFGWULDEZRW-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543494 395384907 /nfs/dbraw/zinc/38/49/07/395384907.db2.gz OKJCJRCBXREPGV-KGLIPLIRSA-N 2 0 279.453 2.663 20 0 CFADRP CC1(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCC1 ZINC000647543851 395385506 /nfs/dbraw/zinc/38/55/06/395385506.db2.gz SVOPLIWONVKJBR-HUUCEWRRSA-N 2 0 250.430 2.888 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543736 395385997 /nfs/dbraw/zinc/38/59/97/395385997.db2.gz RMXFLUHQUOJXOA-LSDHHAIUSA-N 2 0 264.438 2.960 20 0 CFADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647546451 395387364 /nfs/dbraw/zinc/38/73/64/395387364.db2.gz KXBKAHYEYHFQBI-ADSMDIBLSA-N 2 0 259.397 2.506 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549582 395388240 /nfs/dbraw/zinc/38/82/40/395388240.db2.gz ITNJTGLYFVOQEL-GRYCIOLGSA-N 2 0 282.790 2.957 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000647550566 395389580 /nfs/dbraw/zinc/38/95/80/395389580.db2.gz YOHHTPBHGNYBFK-GVDBMIGSSA-N 2 0 288.435 2.524 20 0 CFADRP Cc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000647552675 395390449 /nfs/dbraw/zinc/39/04/49/395390449.db2.gz QKFLTZBFVVXXKX-NVXWUHKLSA-N 2 0 287.451 2.990 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000647552720 395390704 /nfs/dbraw/zinc/39/07/04/395390704.db2.gz SGXARKUAHMOAMG-QWHCGFSZSA-N 2 0 280.412 2.699 20 0 CFADRP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647873385 395448860 /nfs/dbraw/zinc/44/88/60/395448860.db2.gz CHOSIJXBEVJNCF-YOEHRIQHSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885722 395452158 /nfs/dbraw/zinc/45/21/58/395452158.db2.gz JNEADRJDOUYGAC-NVXWUHKLSA-N 2 0 258.409 2.650 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647884500 395452251 /nfs/dbraw/zinc/45/22/51/395452251.db2.gz WUCSTCRHZZDEBY-SJORKVTESA-N 2 0 258.409 2.551 20 0 CFADRP COC1CCC([N@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000647885833 395452337 /nfs/dbraw/zinc/45/23/37/395452337.db2.gz WELAHASZGYDHTC-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1SCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000647886070 395453233 /nfs/dbraw/zinc/45/32/33/395453233.db2.gz NIGFGBDUJGIKTA-SQWLQELKSA-N 2 0 276.449 2.775 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886029 395453277 /nfs/dbraw/zinc/45/32/77/395453277.db2.gz HKZTXGJXNXDQNN-DVOMOZLQSA-N 2 0 262.372 2.818 20 0 CFADRP c1ccc2c(c1)CCC[C@]21CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890723 395454293 /nfs/dbraw/zinc/45/42/93/395454293.db2.gz JVDHUEWLRVRDDO-QFBILLFUSA-N 2 0 284.447 2.966 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCCC1CC[NH2+]CC1 ZINC000647992277 395474093 /nfs/dbraw/zinc/47/40/93/395474093.db2.gz ZNITWCSISOLLGZ-IRXDYDNUSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]([NH2+]CCCC1CC[NH2+]CC1)c1nc(C(C)(C)C)no1 ZINC000647992175 395474177 /nfs/dbraw/zinc/47/41/77/395474177.db2.gz OCJVXPQZXLZACT-GFCCVEGCSA-N 2 0 294.443 2.798 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC000647956601 395464533 /nfs/dbraw/zinc/46/45/33/395464533.db2.gz PNISFJBPBWFGTO-DLBZAZTESA-N 2 0 274.383 2.889 20 0 CFADRP Cc1ccc(C[N@H+](CCC2CC[NH2+]CC2)CC2CC2)cn1 ZINC000647995351 395474710 /nfs/dbraw/zinc/47/47/10/395474710.db2.gz QRODWBLSKIDJMP-UHFFFAOYSA-N 2 0 287.451 2.992 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c[nH]c21 ZINC000647786773 395427792 /nfs/dbraw/zinc/42/77/92/395427792.db2.gz YKNKMSNAERXZKO-USXIJHARSA-N 2 0 297.446 2.997 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786648 395427936 /nfs/dbraw/zinc/42/79/36/395427936.db2.gz UUEZRDKWVMVRHS-TYNCELHUSA-N 2 0 294.826 2.826 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786109 395428196 /nfs/dbraw/zinc/42/81/96/395428196.db2.gz IEJRXTNNOZCMHP-XMTFNYHQSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC000647787967 395428682 /nfs/dbraw/zinc/42/86/82/395428682.db2.gz BHKKZWPLGHGUBB-DJIMGWMZSA-N 2 0 297.446 2.997 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790429 395429695 /nfs/dbraw/zinc/42/96/95/395429695.db2.gz YICKQVZRUWCLPJ-IXDOHACOSA-N 2 0 288.435 2.953 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793455 395430172 /nfs/dbraw/zinc/43/01/72/395430172.db2.gz YNCTVLUNXHPYQJ-IXDOHACOSA-N 2 0 288.435 2.606 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793397 395430266 /nfs/dbraw/zinc/43/02/66/395430266.db2.gz WNTHSYZWWOWTEJ-LOWDOPEQSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647793111 395430356 /nfs/dbraw/zinc/43/03/56/395430356.db2.gz KUKZMAJYZYUORN-SSZWKKLZSA-N 2 0 274.408 2.881 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000647793751 395430500 /nfs/dbraw/zinc/43/05/00/395430500.db2.gz HCBVOYDIJFIICM-FGTMMUONSA-N 2 0 284.447 2.769 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793959 395431109 /nfs/dbraw/zinc/43/11/09/395431109.db2.gz MZQZVCDXJKRVDZ-LHJGCZIBSA-N 2 0 280.456 2.559 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647794145 395431164 /nfs/dbraw/zinc/43/11/64/395431164.db2.gz SBKNXDIQNMMFSQ-MGPQQGTHSA-N 2 0 264.438 2.658 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793766 395431168 /nfs/dbraw/zinc/43/11/68/395431168.db2.gz HRQGLRWIDGTUDM-HZSPNIEDSA-N 2 0 264.438 2.577 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647794075 395431336 /nfs/dbraw/zinc/43/13/36/395431336.db2.gz QIAGUUIOJJTJQU-RUZUBIRVSA-N 2 0 279.453 2.533 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795040 395432119 /nfs/dbraw/zinc/43/21/19/395432119.db2.gz ILXJJGFZGXKXGQ-DDHJBXDOSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2O1 ZINC000647798450 395432506 /nfs/dbraw/zinc/43/25/06/395432506.db2.gz QWMUHEKMTMUKNV-DRXUAVOGSA-N 2 0 286.419 2.876 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798064 395432588 /nfs/dbraw/zinc/43/25/88/395432588.db2.gz KNZFLYATDCHNSN-IBEHDNSVSA-N 2 0 250.430 2.790 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000647797045 395432756 /nfs/dbraw/zinc/43/27/56/395432756.db2.gz VTSVFUKZZIMSSB-IXDOHACOSA-N 2 0 281.403 2.713 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647798750 395433006 /nfs/dbraw/zinc/43/30/06/395433006.db2.gz WHPAAJRFXRAPLP-ARFHVFGLSA-N 2 0 276.399 2.654 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978842 395472283 /nfs/dbraw/zinc/47/22/83/395472283.db2.gz ZEIMXOHWWQGVEW-HUUCEWRRSA-N 2 0 291.439 2.757 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[C@H]1C1CC1 ZINC000647799886 395434001 /nfs/dbraw/zinc/43/40/01/395434001.db2.gz RZMZLLQCZXBUQX-UUAJXVIYSA-N 2 0 262.441 2.790 20 0 CFADRP Cc1ccccc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647801410 395434359 /nfs/dbraw/zinc/43/43/59/395434359.db2.gz UZCQRUYZTRQDSR-OWCLPIDISA-N 2 0 270.420 2.962 20 0 CFADRP Cc1ccccc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647801409 395434540 /nfs/dbraw/zinc/43/45/40/395434540.db2.gz UZCQRUYZTRQDSR-HRCADAONSA-N 2 0 270.420 2.962 20 0 CFADRP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647801140 395435043 /nfs/dbraw/zinc/43/50/43/395435043.db2.gz PBCQIULUFSLWHT-QXDIGNSFSA-N 2 0 270.420 2.768 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)s1 ZINC000647803309 395436189 /nfs/dbraw/zinc/43/61/89/395436189.db2.gz TZJDJRWTQAREKY-JTQLQIEISA-N 2 0 261.394 2.761 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647804094 395436616 /nfs/dbraw/zinc/43/66/16/395436616.db2.gz IRKMGVCFPSHBLY-IGHBBLSQSA-N 2 0 259.397 2.688 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647804508 395436918 /nfs/dbraw/zinc/43/69/18/395436918.db2.gz SQQJGZSXBUEZJK-DWBZUHSKSA-N 2 0 258.409 2.723 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814817 395438676 /nfs/dbraw/zinc/43/86/76/395438676.db2.gz HNRPHQMNAAFDAX-UHFFFAOYSA-N 2 0 288.435 2.899 20 0 CFADRP Clc1cccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814446 395439414 /nfs/dbraw/zinc/43/94/14/395439414.db2.gz OERGSSWFEODJQY-UHFFFAOYSA-N 2 0 294.826 2.935 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)C[C@@H]1C ZINC000649413842 395489118 /nfs/dbraw/zinc/48/91/18/395489118.db2.gz MQZDYOWLNUYNHP-DOTOQJQBSA-N 3 0 281.488 2.571 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)nc1 ZINC000649411721 395489575 /nfs/dbraw/zinc/48/95/75/395489575.db2.gz YZAVUNOMDQHWBN-KRWDZBQOSA-N 2 0 273.424 2.998 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072230 395497523 /nfs/dbraw/zinc/49/75/23/395497523.db2.gz RXRLRPSIEWCFCD-IRXDYDNUSA-N 2 0 292.467 2.775 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000037220312 543027516 /nfs/dbraw/zinc/02/75/16/543027516.db2.gz HVNJVPXXMKEEJJ-CYBMUJFWSA-N 2 0 292.423 2.524 20 0 CFADRP CC(C)O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000649702963 395555495 /nfs/dbraw/zinc/55/54/95/395555495.db2.gz RNAMDHSDOVIBSN-INIZCTEOSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000037240458 543028179 /nfs/dbraw/zinc/02/81/79/543028179.db2.gz IBSFPQBDEZHGAE-INIZCTEOSA-N 2 0 289.467 2.672 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000037565260 543030376 /nfs/dbraw/zinc/03/03/76/543030376.db2.gz OEEOVXTUDNJHFS-HNNXBMFYSA-N 2 0 258.409 2.790 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000037680339 543030725 /nfs/dbraw/zinc/03/07/25/543030725.db2.gz KNOUXKIEYSQIEX-CYBMUJFWSA-N 2 0 262.397 2.515 20 0 CFADRP CC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309963406 413079876 /nfs/dbraw/zinc/07/98/76/413079876.db2.gz JOLCFJRUEBBTMK-QZTJIDSGSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CO)CCC3)CC2)C1 ZINC000183234190 543036505 /nfs/dbraw/zinc/03/65/05/543036505.db2.gz BKNAJCOSENFHDP-WBVHZDCISA-N 2 0 294.483 2.782 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOCc2ccccc2)CC[C@H]1[NH3+] ZINC000309850656 413081318 /nfs/dbraw/zinc/08/13/18/413081318.db2.gz JIEISBFASLGPMI-IAGOWNOFSA-N 2 0 276.424 2.653 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(CC)(CC)OC)CC1 ZINC000310935919 413087427 /nfs/dbraw/zinc/08/74/27/413087427.db2.gz VMXIMYDQBROEGA-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311666597 413088725 /nfs/dbraw/zinc/08/87/25/413088725.db2.gz GMWHSDTXFWUPNY-HOCLYGCPSA-N 2 0 262.372 2.695 20 0 CFADRP C[C@H]1SCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000311599350 413089622 /nfs/dbraw/zinc/08/96/22/413089622.db2.gz CEPYLGGDZAYQMY-DOMZBBRYSA-N 2 0 277.437 2.534 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3cnccc32)CC1 ZINC000392235422 543106758 /nfs/dbraw/zinc/10/67/58/543106758.db2.gz FAQIDLKKSQSASG-UHFFFAOYSA-N 2 0 267.376 2.586 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000401027238 413160333 /nfs/dbraw/zinc/16/03/33/413160333.db2.gz VCDOSUPCXPWNPE-GARJFASQSA-N 2 0 270.829 2.879 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401020260 413161168 /nfs/dbraw/zinc/16/11/68/413161168.db2.gz KLBISPDJRALPTN-BFYDXBDKSA-N 2 0 276.399 2.654 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401020365 413161252 /nfs/dbraw/zinc/16/12/52/413161252.db2.gz KOIYYYODWCYDCE-BZUAXINKSA-N 2 0 250.430 2.935 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401049355 413159841 /nfs/dbraw/zinc/15/98/41/413159841.db2.gz SMBDCPCZLPLHAV-RCCFBDPRSA-N 2 0 295.430 2.755 20 0 CFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401063909 413161581 /nfs/dbraw/zinc/16/15/81/413161581.db2.gz HUADPSXSZOSNKZ-AAVRWANBSA-N 2 0 272.383 2.790 20 0 CFADRP COCC1(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000388760047 397537990 /nfs/dbraw/zinc/53/79/90/397537990.db2.gz NNEBRQQIPBBSNR-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000037715505 397547191 /nfs/dbraw/zinc/54/71/91/397547191.db2.gz IFNLTOUBFAYUJX-LBPRGKRZSA-N 2 0 254.374 2.691 20 0 CFADRP COC1(C[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000429523375 292125068 /nfs/dbraw/zinc/12/50/68/292125068.db2.gz ZSKLJMHSASSFOK-AWEZNQCLSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccncc1 ZINC000650755550 397884690 /nfs/dbraw/zinc/88/46/90/397884690.db2.gz HKVFJXJPELGSLW-INIZCTEOSA-N 2 0 273.355 2.920 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650760032 397886074 /nfs/dbraw/zinc/88/60/74/397886074.db2.gz VVKUDHHSWQRHRQ-BPUTZDHNSA-N 2 0 273.424 2.534 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762319 397887039 /nfs/dbraw/zinc/88/70/39/397887039.db2.gz ZWRVMEBQNWCPGU-OAHLLOKOSA-N 2 0 292.398 2.801 20 0 CFADRP CCC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccnc1 ZINC000650762628 397887084 /nfs/dbraw/zinc/88/70/84/397887084.db2.gz GKEUPGOLRCKQLZ-MRXNPFEDSA-N 2 0 261.413 2.902 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000650762614 397887163 /nfs/dbraw/zinc/88/71/63/397887163.db2.gz GBRKDXPAUDIZIU-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650762464 397887283 /nfs/dbraw/zinc/88/72/83/397887283.db2.gz BAZCTJPPFZCCFR-ZDUSSCGKSA-N 2 0 289.423 2.685 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)CCC2 ZINC000650703621 397859630 /nfs/dbraw/zinc/85/96/30/397859630.db2.gz JERWRRLIWICIGU-SJORKVTESA-N 2 0 284.447 2.997 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703552 397859887 /nfs/dbraw/zinc/85/98/87/397859887.db2.gz GFNSURZHRIWVTP-INIZCTEOSA-N 2 0 258.409 2.879 20 0 CFADRP c1cc2c(c(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c1)CCC2 ZINC000650703835 397860062 /nfs/dbraw/zinc/86/00/62/397860062.db2.gz UOZIFKGHAUBJRG-MRXNPFEDSA-N 2 0 258.409 2.797 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705362 397860623 /nfs/dbraw/zinc/86/06/23/397860623.db2.gz FHGXFCISEHMYTQ-RCCFBDPRSA-N 2 0 288.435 2.713 20 0 CFADRP c1cc2c(c(C[NH+]3CCC4(CC[NH2+]4)CC3)c1)CCC2 ZINC000650704140 397860891 /nfs/dbraw/zinc/86/08/91/397860891.db2.gz JXGLWXOLSGRSCC-UHFFFAOYSA-N 2 0 256.393 2.503 20 0 CFADRP CC[C@@H](OCC[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000650710676 397863001 /nfs/dbraw/zinc/86/30/01/397863001.db2.gz WRNUVTVAFQFVBW-IAGOWNOFSA-N 2 0 276.424 2.886 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000650763254 397887927 /nfs/dbraw/zinc/88/79/27/397887927.db2.gz VWXNKQKOZMFARA-IKGGRYGDSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)[C@@H]1CC[NH3+] ZINC000650711807 397863614 /nfs/dbraw/zinc/86/36/14/397863614.db2.gz FBNAJYZIZISMRT-DGCLKSJQSA-N 2 0 279.453 2.970 20 0 CFADRP CCCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650711952 397864689 /nfs/dbraw/zinc/86/46/89/397864689.db2.gz KVJZAPCYGHAQSX-UHFFFAOYSA-N 2 0 262.397 2.694 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000650712493 397864754 /nfs/dbraw/zinc/86/47/54/397864754.db2.gz GHXSGFWQLAUMBF-UHFFFAOYSA-N 2 0 274.408 2.694 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000650712625 397864795 /nfs/dbraw/zinc/86/47/95/397864795.db2.gz MIHIGFCGRJUFRU-UHFFFAOYSA-N 2 0 262.328 2.791 20 0 CFADRP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c(Cl)c1 ZINC000650711984 397864999 /nfs/dbraw/zinc/86/49/99/397864999.db2.gz LQUMONDQIHSSPA-UHFFFAOYSA-N 2 0 268.788 2.567 20 0 CFADRP Cc1ccc(C[NH2+]CCC2(C[NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000650714222 397865693 /nfs/dbraw/zinc/86/56/93/397865693.db2.gz WHZZAQSZQOWOEY-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000650715096 397865748 /nfs/dbraw/zinc/86/57/48/397865748.db2.gz PDGLMQKIZRZASY-GRDNDAEWSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713892 397865879 /nfs/dbraw/zinc/86/58/79/397865879.db2.gz IIRGTMHCCBHCNB-GFCCVEGCSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713613 397865883 /nfs/dbraw/zinc/86/58/83/397865883.db2.gz XPUOUQUAKFXQTO-RDJZCZTQSA-N 3 0 293.499 2.748 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000650714298 397866008 /nfs/dbraw/zinc/86/60/08/397866008.db2.gz YIDWWLVDDOQLCE-AWEZNQCLSA-N 2 0 264.800 2.526 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717923 397867467 /nfs/dbraw/zinc/86/74/67/397867467.db2.gz QWLWFCSITDUVET-GFCCVEGCSA-N 2 0 280.387 2.579 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000650719983 397869095 /nfs/dbraw/zinc/86/90/95/397869095.db2.gz BIUGAEGHRPYJIR-UHFFFAOYSA-N 2 0 286.423 2.782 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1NC(C)=O ZINC000650719686 397869197 /nfs/dbraw/zinc/86/91/97/397869197.db2.gz ZDOPMZYKRKJBEH-UHFFFAOYSA-N 2 0 297.402 2.654 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2F)C1 ZINC000650721793 397870336 /nfs/dbraw/zinc/87/03/36/397870336.db2.gz BMHRVAVITKEQAY-PVAVHDDUSA-N 2 0 292.398 2.687 20 0 CFADRP c1ccc2c(c1)CC[C@@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)N2 ZINC000650721257 397870600 /nfs/dbraw/zinc/87/06/00/397870600.db2.gz YZQSJVNKAVYPTF-CVEARBPZSA-N 2 0 273.424 2.535 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC000650723606 397870999 /nfs/dbraw/zinc/87/09/99/397870999.db2.gz QSUWHDUYLTZVDQ-OWCLPIDISA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC2CCCCC2)C1 ZINC000650723545 397871078 /nfs/dbraw/zinc/87/10/78/397871078.db2.gz PYCCFGNORKYAAJ-IKGGRYGDSA-N 2 0 280.456 2.928 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000650764178 397888620 /nfs/dbraw/zinc/88/86/20/397888620.db2.gz RPUBCMXOEANFCJ-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764283 397888630 /nfs/dbraw/zinc/88/86/30/397888630.db2.gz VDLKGVOZIWQHDC-QGZVFWFLSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000650740397 397874538 /nfs/dbraw/zinc/87/45/38/397874538.db2.gz LXPMOQOYACTOIV-SJORKVTESA-N 2 0 283.504 2.865 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650741016 397875250 /nfs/dbraw/zinc/87/52/50/397875250.db2.gz WGSWFNOUONEMSR-CQDKDKBSSA-N 2 0 290.432 2.743 20 0 CFADRP CC[N@H+](CCCN[C@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000650741955 397876689 /nfs/dbraw/zinc/87/66/89/397876689.db2.gz OMKBKWUANLSUEK-HUUCEWRRSA-N 2 0 269.477 2.747 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000650742437 397876863 /nfs/dbraw/zinc/87/68/63/397876863.db2.gz YABXRNMYPQVIMD-HZPDHXFCSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(OC)c1 ZINC000650743977 397877425 /nfs/dbraw/zinc/87/74/25/397877425.db2.gz CVISLDXATCMZIC-HNNXBMFYSA-N 2 0 262.397 2.865 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650744669 397878330 /nfs/dbraw/zinc/87/83/30/397878330.db2.gz TWGNNYPMBPEKTJ-ZDUSSCGKSA-N 2 0 292.423 2.792 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000650744214 397878405 /nfs/dbraw/zinc/87/84/05/397878405.db2.gz INAKAUZVBWQTBO-VIFPVBQESA-N 2 0 272.314 2.884 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747589 397880324 /nfs/dbraw/zinc/88/03/24/397880324.db2.gz CYWQLEPCXDTBQY-CJNGLKHVSA-N 2 0 296.418 2.536 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747658 397880398 /nfs/dbraw/zinc/88/03/98/397880398.db2.gz FJPNTZBTRWRDHZ-AWEZNQCLSA-N 2 0 261.413 2.511 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1 ZINC000650747632 397880460 /nfs/dbraw/zinc/88/04/60/397880460.db2.gz DRDUSFQADROQGM-ZDUSSCGKSA-N 2 0 262.397 2.783 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753385 397882523 /nfs/dbraw/zinc/88/25/23/397882523.db2.gz MHLPCCBNSDNZET-SWLSCSKDSA-N 2 0 250.361 2.953 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C[C@@H]1OC ZINC000650754336 397883595 /nfs/dbraw/zinc/88/35/95/397883595.db2.gz GVERPSCOMGBHJR-CVEARBPZSA-N 2 0 294.414 2.968 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000650756077 397884483 /nfs/dbraw/zinc/88/44/83/397884483.db2.gz UCEGIDVGKROPMB-QZTJIDSGSA-N 2 0 281.403 2.640 20 0 CFADRP [NH3+]Cc1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c(F)c1 ZINC000650755920 397884584 /nfs/dbraw/zinc/88/45/84/397884584.db2.gz PJPGLEPGWNUZMD-SJORKVTESA-N 2 0 285.366 2.519 20 0 CFADRP C[C@H](CNc1[nH+]ccc2[nH]ccc21)C[NH+]1CCCC1 ZINC000663400930 413184771 /nfs/dbraw/zinc/18/47/71/413184771.db2.gz WYHUBIULEKTGIO-GFCCVEGCSA-N 2 0 258.369 2.707 20 0 CFADRP C[C@@H](CNc1[nH+]ccc2[nH]ccc21)C[NH+]1CCCC1 ZINC000663400932 413184878 /nfs/dbraw/zinc/18/48/78/413184878.db2.gz WYHUBIULEKTGIO-LBPRGKRZSA-N 2 0 258.369 2.707 20 0 CFADRP COC1([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000421831462 292148537 /nfs/dbraw/zinc/14/85/37/292148537.db2.gz LJQZLQMAQYFOKN-RRFJBIMHSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)[C@@H]1CC[NH3+] ZINC000404259271 413194188 /nfs/dbraw/zinc/19/41/88/413194188.db2.gz CTYPSUXOEJOYNJ-CZUORRHYSA-N 2 0 274.408 2.571 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1C ZINC000404421858 413200621 /nfs/dbraw/zinc/20/06/21/413200621.db2.gz JGPMLWFUHWWQBF-BLLLJJGKSA-N 2 0 291.439 2.656 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404410874 413203569 /nfs/dbraw/zinc/20/35/69/413203569.db2.gz XJKGSPXNHXJUNK-BBRMVZONSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@H]1CCC[N@H+](CCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000404436644 413205645 /nfs/dbraw/zinc/20/56/45/413205645.db2.gz RSYGOYZKKZNNAS-DOTOQJQBSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]1CCC[N@H+](CCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000404436646 413206185 /nfs/dbraw/zinc/20/61/85/413206185.db2.gz RSYGOYZKKZNNAS-RDJZCZTQSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000404433504 413206935 /nfs/dbraw/zinc/20/69/35/413206935.db2.gz PXOPMLNUIBBQTP-MAUKXSAKSA-N 2 0 298.434 2.822 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)[C@H]1CC[NH3+] ZINC000404433509 413207137 /nfs/dbraw/zinc/20/71/37/413207137.db2.gz PXOPMLNUIBBQTP-YJBOKZPZSA-N 2 0 298.434 2.822 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000425404602 286000519 /nfs/dbraw/zinc/00/05/19/286000519.db2.gz LYVMTIJKAZIVSL-SOLBZPMBSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCCF)CC1 ZINC000663463947 413219356 /nfs/dbraw/zinc/21/93/56/413219356.db2.gz OTVPSFOFCICJAP-GDBMZVCRSA-N 2 0 286.435 2.605 20 0 CFADRP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCc2ccccc21 ZINC000404864778 413217743 /nfs/dbraw/zinc/21/77/43/413217743.db2.gz AVMYAWURFAWFID-YOEHRIQHSA-N 2 0 258.409 2.648 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000415086648 286014003 /nfs/dbraw/zinc/01/40/03/286014003.db2.gz SIOWGSNDANUGPK-DAXOMENPSA-N 2 0 280.387 2.633 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCCF)CC2)C1 ZINC000663463070 413219773 /nfs/dbraw/zinc/21/97/73/413219773.db2.gz VZNNKUDAPWUIMJ-HOCLYGCPSA-N 2 0 286.435 2.605 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000293640081 286023025 /nfs/dbraw/zinc/02/30/25/286023025.db2.gz KSEQKSXOWYZPLN-FMKPAKJESA-N 2 0 264.413 2.550 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000279650275 286023173 /nfs/dbraw/zinc/02/31/73/286023173.db2.gz BUCOUNXUELHOQO-ZBFHGGJFSA-N 2 0 264.413 2.694 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449911 286024079 /nfs/dbraw/zinc/02/40/79/286024079.db2.gz WXOOQRHJWFIFFZ-RNJTYBCJSA-N 2 0 288.435 2.740 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784589 413223516 /nfs/dbraw/zinc/22/35/16/413223516.db2.gz FWDUGWVWVAWLJJ-HNNXBMFYSA-N 2 0 277.412 2.503 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000663467551 413224389 /nfs/dbraw/zinc/22/43/89/413224389.db2.gz GPIPKEPWMCUZAZ-ZBFHGGJFSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656785690 413223715 /nfs/dbraw/zinc/22/37/15/413223715.db2.gz IHANNEGEHFOJED-CYBMUJFWSA-N 2 0 281.403 2.964 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@]1(C)CCCO1 ZINC000663466039 413225679 /nfs/dbraw/zinc/22/56/79/413225679.db2.gz NIIXCAZLOWMLEZ-UAGQMJEPSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000090722598 286048868 /nfs/dbraw/zinc/04/88/68/286048868.db2.gz QOFJCIIYIZCLSD-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCC1 ZINC000422933338 286049678 /nfs/dbraw/zinc/04/96/78/286049678.db2.gz DILKSJGHFMCZBU-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000422883942 286050256 /nfs/dbraw/zinc/05/02/56/286050256.db2.gz DILONZDLCZITJD-GJZGRUSLSA-N 2 0 268.445 2.690 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000348329793 292193553 /nfs/dbraw/zinc/19/35/53/292193553.db2.gz RKRVSKZCOMYLEM-RRFJBIMHSA-N 2 0 270.461 2.758 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)C)[C@@H](C)C1 ZINC000248054352 286063163 /nfs/dbraw/zinc/06/31/63/286063163.db2.gz WXNQMGNJKFCNNU-JYJNAYRXSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656786589 413228813 /nfs/dbraw/zinc/22/88/13/413228813.db2.gz UYWMTJPVSDOSMH-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656786739 413230908 /nfs/dbraw/zinc/23/09/08/413230908.db2.gz PYEGJXMKNZLFPV-AWEZNQCLSA-N 3 0 295.430 2.642 20 0 CFADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656791620 413234042 /nfs/dbraw/zinc/23/40/42/413234042.db2.gz KEZFULUQLIIVSW-LJQANCHMSA-N 2 0 293.414 2.692 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCCC3)CC2)C1 ZINC000656789368 413233227 /nfs/dbraw/zinc/23/32/27/413233227.db2.gz NNOBBSHTTQBJQC-NVXWUHKLSA-N 2 0 293.499 2.891 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]C1 ZINC000656790600 413236046 /nfs/dbraw/zinc/23/60/46/413236046.db2.gz CMUCNCKGYOEYHC-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C[C@H]2C1 ZINC000424285513 286114849 /nfs/dbraw/zinc/11/48/49/286114849.db2.gz UTMXPUNABQQGSB-LYEGSJOYSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000663499691 413245353 /nfs/dbraw/zinc/24/53/53/413245353.db2.gz FYRQXPZZHYBCKT-ARWYELJZSA-N 2 0 258.409 2.768 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423140869 292229837 /nfs/dbraw/zinc/22/98/37/292229837.db2.gz ZOWPRFIJDFYDGK-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663503338 413250873 /nfs/dbraw/zinc/25/08/73/413250873.db2.gz PDPBHNYIEHGRCI-RHSMWYFYSA-N 2 0 278.440 2.979 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423272715 286255142 /nfs/dbraw/zinc/25/51/42/286255142.db2.gz IJLBIQGISRPPMD-KCXAZCMYSA-N 2 0 292.398 2.929 20 0 CFADRP C[NH2+]C[C@H](C)N[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000663514430 413256475 /nfs/dbraw/zinc/25/64/75/413256475.db2.gz RHOBEJJZSQKZOD-MNOVXSKESA-N 2 0 274.330 2.834 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000353545794 292248543 /nfs/dbraw/zinc/24/85/43/292248543.db2.gz DZILFAWTCGYNKN-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(CC)CC ZINC000344306851 286279634 /nfs/dbraw/zinc/27/96/34/286279634.db2.gz YJAFATJOJFHLCI-HZPDHXFCSA-N 2 0 280.456 2.822 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245830362 289309406 /nfs/dbraw/zinc/30/94/06/289309406.db2.gz BQKOBJKBUAKCRU-ZVDSWSACSA-N 2 0 280.456 2.652 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C12CCCCC2 ZINC000422922466 286293010 /nfs/dbraw/zinc/29/30/10/286293010.db2.gz SVWHQZXYYJXWMH-ARFHVFGLSA-N 2 0 280.456 2.846 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423032425 286296702 /nfs/dbraw/zinc/29/67/02/286296702.db2.gz MRGHXKZGYQMNEC-YOEHRIQHSA-N 2 0 288.435 2.847 20 0 CFADRP COc1ccc(C[N@H+](CCC[NH3+])[C@H](C)C2CC2)cc1 ZINC000414682784 286302880 /nfs/dbraw/zinc/30/28/80/286302880.db2.gz RZDRKVTVDPDOEB-CYBMUJFWSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ccc(C[N@H+](C[C@]2(C)CC[NH2+]C2)C2CC2)cc1 ZINC000261947341 286303464 /nfs/dbraw/zinc/30/34/64/286303464.db2.gz FNFMTGDFIKMLQE-QGZVFWFLSA-N 2 0 274.408 2.659 20 0 CFADRP COCC1CCC([NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000449214255 292263402 /nfs/dbraw/zinc/26/34/02/292263402.db2.gz XZOXOOTVYWPKDM-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP COCC1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000423426456 292264903 /nfs/dbraw/zinc/26/49/03/292264903.db2.gz PGXUTOUPCYTEHD-MSBXVQKDSA-N 2 0 268.445 2.546 20 0 CFADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCCC[C@@H]1C ZINC000660368436 413266371 /nfs/dbraw/zinc/26/63/71/413266371.db2.gz ROSVFRDNBOZNDL-XHSDSOJGSA-N 2 0 270.461 2.588 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000653279840 413271664 /nfs/dbraw/zinc/27/16/64/413271664.db2.gz AKQFRFVTFBCXDS-DZGCQCFKSA-N 2 0 298.390 2.581 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C12CCCC2 ZINC000423346798 286391385 /nfs/dbraw/zinc/39/13/85/286391385.db2.gz QGTFYWQFYUXDHV-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C12CCC2 ZINC000353533047 286398617 /nfs/dbraw/zinc/39/86/17/286398617.db2.gz XDUYNPRDBGDDRQ-UHDSXZAQSA-N 2 0 292.467 2.797 20 0 CFADRP COc1ccc2cc(C[NH2+][C@H]3CN(C)C[C@@H]3C)ccc2c1 ZINC000343070390 154104131 /nfs/dbraw/zinc/10/41/31/154104131.db2.gz IDBVERCVRBVJSH-UGSOOPFHSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000343113210 154116871 /nfs/dbraw/zinc/11/68/71/154116871.db2.gz XNHZIDRDJBAGFU-MAUKXSAKSA-N 2 0 287.451 2.506 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261648739 292307454 /nfs/dbraw/zinc/30/74/54/292307454.db2.gz QMXXWPWBEFBVGP-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCOCc2ccccc2)CC1 ZINC000660416846 413297669 /nfs/dbraw/zinc/29/76/69/413297669.db2.gz XOILZSGNEVMVPV-QGZVFWFLSA-N 2 0 276.424 2.619 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCCC1 ZINC000660416270 413298624 /nfs/dbraw/zinc/29/86/24/413298624.db2.gz QDHARSHTHBCVIV-JKSUJKDBSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000355734676 155070047 /nfs/dbraw/zinc/07/00/47/155070047.db2.gz NMNWEEKUHPKYAA-CQSZACIVSA-N 2 0 291.420 2.669 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000355764380 155079017 /nfs/dbraw/zinc/07/90/17/155079017.db2.gz HQDZFEJHYGQESP-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000357747697 155522278 /nfs/dbraw/zinc/52/22/78/155522278.db2.gz JJFSJSZSRRDGHE-GJZGRUSLSA-N 2 0 297.487 2.534 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C12CCC2 ZINC000181517174 286491827 /nfs/dbraw/zinc/49/18/27/286491827.db2.gz KOQOZXQAYWTJMC-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359184881 156017154 /nfs/dbraw/zinc/01/71/54/156017154.db2.gz DMMSCEHIRHIQBV-KRWDZBQOSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359208873 156022447 /nfs/dbraw/zinc/02/24/47/156022447.db2.gz ANUGIIMMPXERMU-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP COC1(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CCCC1 ZINC000359710040 156025296 /nfs/dbraw/zinc/02/52/96/156025296.db2.gz YOLDTMZWDRMGRW-UHFFFAOYSA-N 2 0 294.414 2.936 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCC2(CC2)CC1)N1CC[NH+](C)CC1 ZINC000362925126 156116820 /nfs/dbraw/zinc/11/68/20/156116820.db2.gz RCLXYNDLKUVECQ-QGZVFWFLSA-N 2 0 293.499 2.571 20 0 CFADRP c1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363414612 156175589 /nfs/dbraw/zinc/17/55/89/156175589.db2.gz PLSYXSUAGCIBLK-KURKYZTESA-N 2 0 270.420 2.645 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000364818997 156224144 /nfs/dbraw/zinc/22/41/44/156224144.db2.gz VPZUHVWPHSWNNR-XHSDSOJGSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC1(C)CC1 ZINC000366281306 156233240 /nfs/dbraw/zinc/23/32/40/156233240.db2.gz JORKBWXEZULPFU-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ncccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366951574 156258176 /nfs/dbraw/zinc/25/81/76/156258176.db2.gz JRULVSLSDXNETM-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[C@@H](F)CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132560 156285847 /nfs/dbraw/zinc/28/58/47/156285847.db2.gz CWUKNBYEHBLKTI-ZIAGYGMSSA-N 2 0 268.420 2.931 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](CCCCF)CC2)C[C@H](C)O1 ZINC000367551880 156347229 /nfs/dbraw/zinc/34/72/29/156347229.db2.gz CICBTXNHVOVRFV-GJZGRUSLSA-N 2 0 286.435 2.557 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367587905 156355435 /nfs/dbraw/zinc/35/54/35/156355435.db2.gz KOCPPSBZVTTZDE-KURKYZTESA-N 2 0 288.435 2.700 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000367599615 156358163 /nfs/dbraw/zinc/35/81/63/156358163.db2.gz XCDKJJRDKHZXFE-GVDBMIGSSA-N 2 0 281.488 2.568 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367603304 156359943 /nfs/dbraw/zinc/35/99/43/156359943.db2.gz YZPRIKJSKZETSC-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H](C)C1 ZINC000367606031 156360453 /nfs/dbraw/zinc/36/04/53/156360453.db2.gz JGBGIGQICRYKKR-CVEARBPZSA-N 2 0 287.451 2.823 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367613970 156361934 /nfs/dbraw/zinc/36/19/34/156361934.db2.gz GVEWOFHMVQILEO-KSZLIROESA-N 2 0 288.435 2.795 20 0 CFADRP CC(C)C[N@@H+]1CC[C@@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663709772 413329649 /nfs/dbraw/zinc/32/96/49/413329649.db2.gz QCPVMWWUNRVRLS-ZDUSSCGKSA-N 2 0 272.396 2.953 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000657179373 413329885 /nfs/dbraw/zinc/32/98/85/413329885.db2.gz YMFHGRFFMRIFCQ-GOEBONIOSA-N 2 0 273.424 2.781 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422999548 286571594 /nfs/dbraw/zinc/57/15/94/286571594.db2.gz SPXSENMPJNGABF-RDJZCZTQSA-N 2 0 276.424 2.735 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000449579918 299785486 /nfs/dbraw/zinc/78/54/86/299785486.db2.gz LAKOOIFIMVDXBL-DOTOQJQBSA-N 2 0 294.483 2.782 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000651184919 413338839 /nfs/dbraw/zinc/33/88/39/413338839.db2.gz KXTYCBGTQYBAAJ-QGZVFWFLSA-N 2 0 293.499 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000374573304 157133141 /nfs/dbraw/zinc/13/31/41/157133141.db2.gz BLVZZYXZUVQMBU-HNNXBMFYSA-N 2 0 290.455 2.533 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375592842 157258879 /nfs/dbraw/zinc/25/88/79/157258879.db2.gz URPFUTDYPNZGFL-OAHLLOKOSA-N 2 0 291.439 2.701 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375789991 157284756 /nfs/dbraw/zinc/28/47/56/157284756.db2.gz VNFFKGDISSZMJZ-GVDBMIGSSA-N 2 0 288.435 2.966 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375837903 157292574 /nfs/dbraw/zinc/29/25/74/157292574.db2.gz DNVDMXLZULCWIH-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375840824 157294698 /nfs/dbraw/zinc/29/46/98/157294698.db2.gz QJFHBYSSWDGNSD-KBPBESRZSA-N 2 0 270.380 2.815 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000376432997 157355060 /nfs/dbraw/zinc/35/50/60/157355060.db2.gz JJLGRMZCRIQUAB-VXLLPVPCSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000376432995 157355210 /nfs/dbraw/zinc/35/52/10/157355210.db2.gz JJLGRMZCRIQUAB-RDHHWEPZSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1nccn1CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376510818 157367015 /nfs/dbraw/zinc/36/70/15/157367015.db2.gz HLQAYBAZNJUGJN-CJNGLKHVSA-N 2 0 270.380 2.670 20 0 CFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376521257 157368072 /nfs/dbraw/zinc/36/80/72/157368072.db2.gz ZGJDIPMNYYXYMT-HNNXBMFYSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000651219421 413353832 /nfs/dbraw/zinc/35/38/32/413353832.db2.gz UQVHYDHKILHXLE-MRXNPFEDSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)CN(C)CC ZINC000653559773 413368239 /nfs/dbraw/zinc/36/82/39/413368239.db2.gz SRRLSHDRMCQPOC-ROUUACIJSA-N 2 0 292.467 2.561 20 0 CFADRP C[N@H+](CCc1noc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000653559221 413369986 /nfs/dbraw/zinc/36/99/86/413369986.db2.gz PINQYRPEKMAMHP-AWEZNQCLSA-N 2 0 287.407 2.644 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)C[NH+]1CCCC1 ZINC000187028199 286876333 /nfs/dbraw/zinc/87/63/33/286876333.db2.gz ZQUFQHKRAQYOHD-KBPBESRZSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422704436 298399597 /nfs/dbraw/zinc/39/95/97/298399597.db2.gz PQSNGBGVNBCJSY-KGLIPLIRSA-N 2 0 289.423 2.591 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000423037383 298400053 /nfs/dbraw/zinc/40/00/53/298400053.db2.gz BHXGMQAQJNMFIE-RISCZKNCSA-N 2 0 266.360 2.756 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)C(C)C ZINC000414306384 286901807 /nfs/dbraw/zinc/90/18/07/286901807.db2.gz XULCTSCUJRBDDP-CABCVRRESA-N 2 0 270.461 2.634 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CO1 ZINC000657314284 413436020 /nfs/dbraw/zinc/43/60/20/413436020.db2.gz ZMQPHRJNTGHKOF-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CO1 ZINC000657314282 413437469 /nfs/dbraw/zinc/43/74/69/413437469.db2.gz ZMQPHRJNTGHKOF-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344299784 162000653 /nfs/dbraw/zinc/00/06/53/162000653.db2.gz FVDHMIJCBKHIDI-CVEARBPZSA-N 2 0 280.456 2.678 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000344395907 162034623 /nfs/dbraw/zinc/03/46/23/162034623.db2.gz WPIGDNSIOZQJAG-ZOBUZTSGSA-N 2 0 289.467 2.656 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000344633161 162084481 /nfs/dbraw/zinc/08/44/81/162084481.db2.gz RBAUSXBDBMUQBY-WMLDXEAASA-N 2 0 298.434 2.957 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000660624040 413440803 /nfs/dbraw/zinc/44/08/03/413440803.db2.gz UVKJUPWVZZMUHM-ROUUACIJSA-N 2 0 290.451 2.567 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000344778540 162120184 /nfs/dbraw/zinc/12/01/84/162120184.db2.gz UDMPTRAXHXKERP-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000344844530 162131747 /nfs/dbraw/zinc/13/17/47/162131747.db2.gz RVPXSEQMFQJCOM-DLBZAZTESA-N 2 0 280.456 2.823 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c(OCC2CC2)c1 ZINC000344880046 162141168 /nfs/dbraw/zinc/14/11/68/162141168.db2.gz KCZGWDBSFHGCPQ-WMLDXEAASA-N 2 0 288.435 2.824 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000345146022 162187625 /nfs/dbraw/zinc/18/76/25/162187625.db2.gz TZHFPOAPYTWDJI-SJORKVTESA-N 2 0 256.393 2.642 20 0 CFADRP C[N@@H+](Cc1cc(-n2ccnc2)cs1)CC1CCOCC1 ZINC000346219907 162354918 /nfs/dbraw/zinc/35/49/18/162354918.db2.gz NKVGKGABCDDNDI-UHFFFAOYSA-N 2 0 291.420 2.792 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@H+](C)C2CCN(CCO)CC2)C1 ZINC000346215306 162355363 /nfs/dbraw/zinc/35/53/63/162355363.db2.gz PTVGFJBYNPOTSK-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000346274485 162367250 /nfs/dbraw/zinc/36/72/50/162367250.db2.gz GLCKNJSHUXNQND-GJZGRUSLSA-N 2 0 289.423 2.513 20 0 CFADRP [NH3+]CCCN(c1cccc(F)c1)[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346369727 162394200 /nfs/dbraw/zinc/39/42/00/162394200.db2.gz SEZYLWDGBVTANA-RDJZCZTQSA-N 2 0 291.414 2.608 20 0 CFADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1SC ZINC000346657724 162477931 /nfs/dbraw/zinc/47/79/31/162477931.db2.gz LOEIETRZTXONFI-UHFFFAOYSA-N 2 0 280.437 2.588 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346684207 162486824 /nfs/dbraw/zinc/48/68/24/162486824.db2.gz RKADRMODFNZOMZ-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP Clc1cccc(O[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000346967380 162568630 /nfs/dbraw/zinc/56/86/30/162568630.db2.gz DNBMAUNQNNTIJP-INIZCTEOSA-N 2 0 294.826 2.793 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000657325576 413448656 /nfs/dbraw/zinc/44/86/56/413448656.db2.gz KAMYNGKBCGGPNC-ZACQAIPSSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccs1 ZINC000349694360 163004240 /nfs/dbraw/zinc/00/42/40/163004240.db2.gz PONOWRSLCXOPFI-ZDUSSCGKSA-N 2 0 270.442 2.757 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000349714930 163006683 /nfs/dbraw/zinc/00/66/83/163006683.db2.gz CEJRLPGIZZMKNH-HRCADAONSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1ncsc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000350176311 163065044 /nfs/dbraw/zinc/06/50/44/163065044.db2.gz LLIRKALZWUVPKV-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP COc1ccccc1/C=C\C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350185807 163065762 /nfs/dbraw/zinc/06/57/62/163065762.db2.gz YAMJNPBFJXSKSX-VURMDHGXSA-N 2 0 288.435 2.982 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]c(C)c2Cl)C1 ZINC000350292631 163069359 /nfs/dbraw/zinc/06/93/59/163069359.db2.gz YLMMLWWMHGHQOH-GFCCVEGCSA-N 2 0 267.804 2.609 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000350259412 163070180 /nfs/dbraw/zinc/07/01/80/163070180.db2.gz VLMRDFBFXJZVSV-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]c(C)c2Cl)C1 ZINC000350292632 163070775 /nfs/dbraw/zinc/07/07/75/163070775.db2.gz YLMMLWWMHGHQOH-LBPRGKRZSA-N 2 0 267.804 2.609 20 0 CFADRP COC1CC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000350561397 163091994 /nfs/dbraw/zinc/09/19/94/163091994.db2.gz WQTQEZKJMZVPJV-UHFFFAOYSA-N 2 0 288.435 2.940 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCSC(C)(C)C1 ZINC000350724927 163100836 /nfs/dbraw/zinc/10/08/36/163100836.db2.gz QGNFKJBJEHQARW-ZDUSSCGKSA-N 2 0 256.459 2.688 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000350870226 163110894 /nfs/dbraw/zinc/11/08/94/163110894.db2.gz MRPULQJFAUCFJG-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000351414417 163127880 /nfs/dbraw/zinc/12/78/80/163127880.db2.gz NDSZSLLXBSQMSI-HUUCEWRRSA-N 2 0 296.455 2.524 20 0 CFADRP CCN(Cc1ccc(Cl)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351449335 163129735 /nfs/dbraw/zinc/12/97/35/163129735.db2.gz YXHMKEJWHKUBSA-MRXNPFEDSA-N 2 0 296.842 2.617 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)CN(C)C2CC2)c1 ZINC000351481229 163131418 /nfs/dbraw/zinc/13/14/18/163131418.db2.gz WPWUJVHWBUTHBI-ROUUACIJSA-N 2 0 288.435 2.587 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000351849069 163203314 /nfs/dbraw/zinc/20/33/14/163203314.db2.gz FJKAFYAAPLJYQU-OCCSQVGLSA-N 2 0 266.816 2.942 20 0 CFADRP CCOC1CC(C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000351861478 163205543 /nfs/dbraw/zinc/20/55/43/163205543.db2.gz ZWZUUUJTHRECMH-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351867639 163208526 /nfs/dbraw/zinc/20/85/26/163208526.db2.gz ZJRQADBBXGCIMP-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP CCCC[N@H+](C)CCNC(=O)Nc1c(C)ccnc1C ZINC000351923117 163216546 /nfs/dbraw/zinc/21/65/46/163216546.db2.gz PWTUMULFDHIGBM-UHFFFAOYSA-N 2 0 278.400 2.552 20 0 CFADRP C[NH+]1CCC(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352765739 163230086 /nfs/dbraw/zinc/23/00/86/163230086.db2.gz ROUXQRHGSQPKPZ-NSCUHMNNSA-N 2 0 280.362 2.909 20 0 CFADRP Cc1cn[nH]c1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352833541 163247306 /nfs/dbraw/zinc/24/73/06/163247306.db2.gz IXQJHRAEWYBTKV-OKILXGFUSA-N 2 0 278.444 2.566 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)C[C@H]1C ZINC000352856215 163252718 /nfs/dbraw/zinc/25/27/18/163252718.db2.gz CNINNICPEXUFNM-PVAVHDDUSA-N 2 0 282.472 2.732 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000352929157 163272192 /nfs/dbraw/zinc/27/21/92/163272192.db2.gz BRDYTKUSDFBMDM-RYQLBKOJSA-N 2 0 293.499 2.594 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353501028 163379989 /nfs/dbraw/zinc/37/99/89/163379989.db2.gz HNNNGJJFWPYDOD-RNJTYBCJSA-N 2 0 288.435 2.786 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(C)(C)C ZINC000353521767 163385124 /nfs/dbraw/zinc/38/51/24/163385124.db2.gz SLUUCZUNPQTGQE-LJISPDSOSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353556875 163393710 /nfs/dbraw/zinc/39/37/10/163393710.db2.gz GKHHXMDOZRYRNS-JKSUJKDBSA-N 2 0 287.451 2.884 20 0 CFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000657334770 413457955 /nfs/dbraw/zinc/45/79/55/413457955.db2.gz GUWFPLCUSKPDCR-GJZGRUSLSA-N 2 0 294.439 2.530 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CO1 ZINC000657332125 413458810 /nfs/dbraw/zinc/45/88/10/413458810.db2.gz XEBOGUZPDVREID-OLZOCXBDSA-N 2 0 273.380 2.653 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000651421497 413462183 /nfs/dbraw/zinc/46/21/83/413462183.db2.gz YSBZOSLVPYOONW-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCCC[NH+](C)C)[nH]c2c1 ZINC000657335943 413464633 /nfs/dbraw/zinc/46/46/33/413464633.db2.gz VEROFKCJNXOMTM-UHFFFAOYSA-N 2 0 259.397 2.908 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651425979 413466143 /nfs/dbraw/zinc/46/61/43/413466143.db2.gz SXQXNEHQELRCPO-OAHLLOKOSA-N 2 0 275.440 2.643 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnn1C ZINC000192678040 287022432 /nfs/dbraw/zinc/02/24/32/287022432.db2.gz OZPZFUVYPUOUHD-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000245843701 287022738 /nfs/dbraw/zinc/02/27/38/287022738.db2.gz BTDYBEXNZFTJKN-OWCLPIDISA-N 2 0 291.439 2.622 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000246842039 287022926 /nfs/dbraw/zinc/02/29/26/287022926.db2.gz BABUKHCZEIMTDY-RBSFLKMASA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422882642 287023300 /nfs/dbraw/zinc/02/33/00/287023300.db2.gz PIWNVTLNBAXRCA-BRSBDYLESA-N 2 0 295.515 2.865 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000423435093 287047610 /nfs/dbraw/zinc/04/76/10/287047610.db2.gz ORPSYWUYDGDSSW-UONOGXRCSA-N 2 0 291.439 2.557 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422909665 287052973 /nfs/dbraw/zinc/05/29/73/287052973.db2.gz ONUQWDOTDVSRRI-SOUVJXGZSA-N 2 0 269.477 2.602 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000651453596 413473873 /nfs/dbraw/zinc/47/38/73/413473873.db2.gz YQSFBXSELWJTCQ-CQSZACIVSA-N 2 0 278.415 2.997 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000020128505 171015744 /nfs/dbraw/zinc/01/57/44/171015744.db2.gz RNYMTACAGNSCNY-GOSISDBHSA-N 2 0 289.467 2.755 20 0 CFADRP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128693 171016056 /nfs/dbraw/zinc/01/60/56/171016056.db2.gz YRJSIAYFILNSIO-UHFFFAOYSA-N 2 0 262.397 2.661 20 0 CFADRP c1cn(CCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cn1 ZINC000660676663 413491634 /nfs/dbraw/zinc/49/16/34/413491634.db2.gz SXOGNLQCRKYTNM-UHFFFAOYSA-N 2 0 298.434 2.527 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CCC2=CCCCC2)CC1 ZINC000660696972 413503602 /nfs/dbraw/zinc/50/36/02/413503602.db2.gz ZPISWGVDYSTLRX-UHFFFAOYSA-N 2 0 294.483 2.949 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CCC(C)CC2)CC1 ZINC000660695668 413505367 /nfs/dbraw/zinc/50/53/67/413505367.db2.gz BJEAKFVFSGDJCL-UHFFFAOYSA-N 2 0 296.499 2.885 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2nccn2C(C)C)CC1 ZINC000657376250 413523602 /nfs/dbraw/zinc/52/36/02/413523602.db2.gz JIHYHYFAWGGMQL-UHFFFAOYSA-N 2 0 278.444 2.676 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CO1 ZINC000657391044 413545867 /nfs/dbraw/zinc/54/58/67/413545867.db2.gz MUMWZTWHQHDWHH-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1c[nH]c(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1 ZINC000657391110 413545872 /nfs/dbraw/zinc/54/58/72/413545872.db2.gz OXVOSISQNJTRAL-UHFFFAOYSA-N 2 0 278.444 2.566 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](CC)CC)[C@H]1CCCCO1 ZINC000653875047 413555732 /nfs/dbraw/zinc/55/57/32/413555732.db2.gz OPPGKOGUCYRGDK-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@]2(C)CC)CC1 ZINC000651676925 413560619 /nfs/dbraw/zinc/56/06/19/413560619.db2.gz RULWKRNLOUEWRL-QZTJIDSGSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000651676581 413561148 /nfs/dbraw/zinc/56/11/48/413561148.db2.gz FQCYRYPGMQZGDR-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP c1nc2n(c1CNc1ccc(N3CCCCC3)nc1)CCC2 ZINC000657413311 413569788 /nfs/dbraw/zinc/56/97/88/413569788.db2.gz ORFOSPGOFROEAA-UHFFFAOYSA-N 2 0 297.406 2.827 20 0 CFADRP FC1(F)CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657453569 413625150 /nfs/dbraw/zinc/62/51/50/413625150.db2.gz ALIHIGXYZKPKOO-GFCCVEGCSA-N 2 0 292.333 2.792 20 0 CFADRP C[N@H+](CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285388645 196270570 /nfs/dbraw/zinc/27/05/70/196270570.db2.gz DJRXHIWAFUMZST-SJPCQFCGSA-N 2 0 258.409 2.786 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc3cnccc3o2)CC1 ZINC000651779016 413632590 /nfs/dbraw/zinc/63/25/90/413632590.db2.gz RJSFYAMHJVKWHI-UHFFFAOYSA-N 2 0 285.391 2.888 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794363 413644997 /nfs/dbraw/zinc/64/49/97/413644997.db2.gz WFCHHEXMRNFLJT-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CCNc1cc[nH+]c2c(O)cccc12)[NH+](C)C ZINC000664243378 413651703 /nfs/dbraw/zinc/65/17/03/413651703.db2.gz FKINGSQVLDCEER-NSHDSACASA-N 2 0 259.353 2.693 20 0 CFADRP COCc1csc(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000657486818 413672458 /nfs/dbraw/zinc/67/24/58/413672458.db2.gz BYOCGPFFCGXICD-UHFFFAOYSA-N 2 0 282.453 2.859 20 0 CFADRP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@H](c1ccccc1)N(C)C ZINC000657438355 413609487 /nfs/dbraw/zinc/60/94/87/413609487.db2.gz JKHBRUNBDDJNLZ-KBXCAEBGSA-N 2 0 298.434 2.610 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@]2(C)CC)CC1 ZINC000651750355 413613649 /nfs/dbraw/zinc/61/36/49/413613649.db2.gz FCFAFVPMIKYCPU-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651753023 413616142 /nfs/dbraw/zinc/61/61/42/413616142.db2.gz AZPFHUUTHODKQC-XHSDSOJGSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1c[nH]c(CN[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000657447089 413617280 /nfs/dbraw/zinc/61/72/80/413617280.db2.gz PAAVUFSUOXYGHP-WMLDXEAASA-N 2 0 286.423 2.808 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](Cc3cccc4c3CCC4)[C@H]2C1 ZINC000651756320 413619598 /nfs/dbraw/zinc/61/95/98/413619598.db2.gz RXXTTZATMBUQRW-QAPCUYQASA-N 2 0 270.420 2.701 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000651865214 413687681 /nfs/dbraw/zinc/68/76/81/413687681.db2.gz QOIICRXPAGTYBX-HNNXBMFYSA-N 2 0 278.440 2.891 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc21 ZINC000657505453 413696909 /nfs/dbraw/zinc/69/69/09/413696909.db2.gz ZPASVWRUEUQMEI-OTVXOJSOSA-N 2 0 271.408 2.906 20 0 CFADRP CC[N@H+](CCC[NH2+]CC1=CCCOC1)C1CCCCC1 ZINC000651910208 413710162 /nfs/dbraw/zinc/71/01/62/413710162.db2.gz LESBSJRHRNXEMA-UHFFFAOYSA-N 2 0 280.456 2.967 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000285458933 196291096 /nfs/dbraw/zinc/29/10/96/196291096.db2.gz MVTWUJPCXZQCOR-RDFMZFSFSA-N 2 0 280.362 2.909 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[C@H]1C ZINC000657537754 413720161 /nfs/dbraw/zinc/72/01/61/413720161.db2.gz SCNPBQHYHCVEOV-KEYYUXOJSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536265 413721074 /nfs/dbraw/zinc/72/10/74/413721074.db2.gz ZUMCNKVTHWNCSF-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000657613646 413791815 /nfs/dbraw/zinc/79/18/15/413791815.db2.gz OXAKIOWAOCRIJD-CQSZACIVSA-N 2 0 273.424 2.682 20 0 CFADRP CC[C@H](C)[NH+](CC)CC(O)C[N@@H+](CC)[C@@H](C)CC ZINC000661107846 413759474 /nfs/dbraw/zinc/75/94/74/413759474.db2.gz NYTHMOXECWSGNX-KBPBESRZSA-N 2 0 258.450 2.588 20 0 CFADRP CCC(CC)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595202 413779111 /nfs/dbraw/zinc/77/91/11/413779111.db2.gz NETOFBISFMRGLF-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000285499564 196306505 /nfs/dbraw/zinc/30/65/05/196306505.db2.gz FAQVERQXSMERTM-KBAYOESNSA-N 2 0 290.451 2.772 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000657662157 413830450 /nfs/dbraw/zinc/83/04/50/413830450.db2.gz UQUVVVQANDDSIK-IRXDYDNUSA-N 2 0 297.446 2.937 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000652222580 413834345 /nfs/dbraw/zinc/83/43/45/413834345.db2.gz SAPHNGNRXYIMBU-OAHLLOKOSA-N 2 0 278.440 2.807 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C1CCOCC1 ZINC000652222497 413834703 /nfs/dbraw/zinc/83/47/03/413834703.db2.gz PXONIWWMWGXWSF-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP C1C[C@@H]2C[C@H](N[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C1 ZINC000657677676 413847517 /nfs/dbraw/zinc/84/75/17/413847517.db2.gz GJOIDAJHASZHEX-SOLBZPMBSA-N 2 0 291.483 2.610 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@@H+]1C1CC1 ZINC000657678473 413849792 /nfs/dbraw/zinc/84/97/92/413849792.db2.gz QZWMWAOWMLVNHS-BZUAXINKSA-N 2 0 291.483 2.608 20 0 CFADRP CC1(C)C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C(C)(C)CO1 ZINC000652338326 413897375 /nfs/dbraw/zinc/89/73/75/413897375.db2.gz VAXAQIQYFJWNML-UHFFFAOYSA-N 2 0 288.435 2.722 20 0 CFADRP Cc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc(C)n1 ZINC000664680340 413899010 /nfs/dbraw/zinc/89/90/10/413899010.db2.gz YNCOXHYGVPDBGT-OAHLLOKOSA-N 2 0 274.412 2.627 20 0 CFADRP C[NH2+]CCC[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000652344639 413900404 /nfs/dbraw/zinc/90/04/04/413900404.db2.gz WYVJQJIUISGODY-UHFFFAOYSA-N 2 0 272.436 2.867 20 0 CFADRP CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352741 413900698 /nfs/dbraw/zinc/90/06/98/413900698.db2.gz SGNOVVJTDREGLQ-IRXDYDNUSA-N 2 0 258.409 2.810 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652352161 413901952 /nfs/dbraw/zinc/90/19/52/413901952.db2.gz MUNQRRJAPPSTIS-IRXDYDNUSA-N 2 0 258.409 2.598 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000652352095 413902697 /nfs/dbraw/zinc/90/26/97/413902697.db2.gz DUBDXZOBASMOJD-JQFCIGGWSA-N 2 0 274.383 2.874 20 0 CFADRP CCn1cc(C[N@H+](CCC2CC[NH2+]CC2)C(C)C)cn1 ZINC000652358492 413908269 /nfs/dbraw/zinc/90/82/69/413908269.db2.gz KYWHGTGIQNILEG-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657871983 414016811 /nfs/dbraw/zinc/01/68/11/414016811.db2.gz LUBKANQKXSKHLS-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP CC1(C)CC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657802177 413954418 /nfs/dbraw/zinc/95/44/18/413954418.db2.gz UCEFMYUSPCLMDQ-UHFFFAOYSA-N 2 0 256.353 2.546 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813238 413960164 /nfs/dbraw/zinc/96/01/64/413960164.db2.gz LGVAEVVVKNVYLQ-MSOLQXFVSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1ncccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813560 413961401 /nfs/dbraw/zinc/96/14/01/413961401.db2.gz RVQCSKYSVPOZGX-UHFFFAOYSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813597 413962209 /nfs/dbraw/zinc/96/22/09/413962209.db2.gz TVVUKPGRNXSUNO-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cncc(F)c1 ZINC000657812371 413962919 /nfs/dbraw/zinc/96/29/19/413962919.db2.gz ABQYCDKDWCWUNN-ZDUSSCGKSA-N 2 0 291.414 2.993 20 0 CFADRP CC1(C)CC([NH2+][C@H]2COC3(CCC3)C2)CC(C)(C)[NH2+]1 ZINC000657824465 413979502 /nfs/dbraw/zinc/97/95/02/413979502.db2.gz JGWUNFGMWNLLSH-CYBMUJFWSA-N 2 0 266.429 2.597 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657875385 414019710 /nfs/dbraw/zinc/01/97/10/414019710.db2.gz DHXNAOBKJQYGMD-LJISPDSOSA-N 2 0 250.430 2.743 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657835974 413987763 /nfs/dbraw/zinc/98/77/63/413987763.db2.gz ZZYZZLIOZRZHAN-AWEZNQCLSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)N1CCCC[C@@H]1C ZINC000657834972 413988707 /nfs/dbraw/zinc/98/87/07/413988707.db2.gz JLKBGIDDZRJLRH-STQMWFEESA-N 2 0 274.399 2.927 20 0 CFADRP CCOC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000657840093 413989802 /nfs/dbraw/zinc/98/98/02/413989802.db2.gz LUPDTXMTYUIJER-PYBGIAKNSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657838291 413991050 /nfs/dbraw/zinc/99/10/50/413991050.db2.gz QKJDMEPHLRYNKE-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CN(CC[NH2+][C@@H]1CCCSCC1)Cc1ccccc1 ZINC000657846245 413997586 /nfs/dbraw/zinc/99/75/86/413997586.db2.gz SVUNSDCSBHKULX-MRXNPFEDSA-N 2 0 278.465 2.994 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657902987 414042113 /nfs/dbraw/zinc/04/21/13/414042113.db2.gz QMDIOOYGGIMHSN-NEPJUHHUSA-N 2 0 280.403 2.613 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2occc21)C1CC[NH+](C)CC1 ZINC000037221762 173042045 /nfs/dbraw/zinc/04/20/45/173042045.db2.gz DOCMZUUXSYFAMD-DOMZBBRYSA-N 2 0 262.397 2.977 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC000661578231 414061851 /nfs/dbraw/zinc/06/18/51/414061851.db2.gz JXPJQASJFAQTSR-SJORKVTESA-N 2 0 282.472 2.590 20 0 CFADRP Clc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037408184 173183705 /nfs/dbraw/zinc/18/37/05/173183705.db2.gz SDLKLSIIJKTTRY-ZDUSSCGKSA-N 2 0 264.800 2.914 20 0 CFADRP CCC[N@H+](Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037539273 173260365 /nfs/dbraw/zinc/26/03/65/173260365.db2.gz ICDNDGJGPMPNIQ-UHFFFAOYSA-N 2 0 250.361 2.790 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000658064631 414149953 /nfs/dbraw/zinc/14/99/53/414149953.db2.gz FBRVXKLNHXLDHT-QRTARXTBSA-N 2 0 299.418 2.833 20 0 CFADRP CCOC1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000658029739 414114331 /nfs/dbraw/zinc/11/43/31/414114331.db2.gz AESWXAZEHAHADI-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)O1 ZINC000665265043 414220777 /nfs/dbraw/zinc/22/07/77/414220777.db2.gz OHFODUSGDHYZIJ-CZPYZCIJSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccoc1 ZINC000665263316 414221009 /nfs/dbraw/zinc/22/10/09/414221009.db2.gz KGMRIMBZDTZHAI-UKRRQHHQSA-N 2 0 250.386 2.723 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267453 414228189 /nfs/dbraw/zinc/22/81/89/414228189.db2.gz WWMXXIGSLFLBBK-ZMSDIMECSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC(F)CC1 ZINC000665273923 414229760 /nfs/dbraw/zinc/22/97/60/414229760.db2.gz GRWJTOGEVGZPIV-IXWGYMPFSA-N 2 0 268.420 2.881 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000665272994 414231154 /nfs/dbraw/zinc/23/11/54/414231154.db2.gz OOBHEFNORBYWFB-JYJNAYRXSA-N 2 0 259.397 2.506 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)(C)C ZINC000658139141 414233184 /nfs/dbraw/zinc/23/31/84/414233184.db2.gz LGGRGLMBBORMEQ-PBHICJAKSA-N 2 0 290.451 2.777 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2nsc3ccccc32)C1 ZINC000665276126 414235098 /nfs/dbraw/zinc/23/50/98/414235098.db2.gz YVWLLIZJZVVTKG-VXGBXAGGSA-N 2 0 275.421 2.698 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000665275087 414236169 /nfs/dbraw/zinc/23/61/69/414236169.db2.gz BRXBBWDTDLSCDV-YYIAUSFCSA-N 2 0 280.456 2.702 20 0 CFADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000665232129 414190862 /nfs/dbraw/zinc/19/08/62/414190862.db2.gz GRQLPYOTZULUJD-IXDOHACOSA-N 2 0 273.424 2.669 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665238136 414196235 /nfs/dbraw/zinc/19/62/35/414196235.db2.gz RGQCZMNXYJBSIS-WCQYABFASA-N 2 0 296.377 2.984 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239223 414196488 /nfs/dbraw/zinc/19/64/88/414196488.db2.gz OELKKETTWLRASL-RDJZCZTQSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239100 414196925 /nfs/dbraw/zinc/19/69/25/414196925.db2.gz LZTZRCLSWDAFLJ-XGYYKPKNSA-N 2 0 282.472 2.791 20 0 CFADRP C[C@@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)C1 ZINC000665239014 414198046 /nfs/dbraw/zinc/19/80/46/414198046.db2.gz KFDCEKUAGFGUEN-AAOSIAERSA-N 2 0 250.430 2.931 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244489 414199859 /nfs/dbraw/zinc/19/98/59/414199859.db2.gz OXWVTKPVSJJQKN-BXUZGUMPSA-N 2 0 278.371 2.584 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244440 414199879 /nfs/dbraw/zinc/19/98/79/414199879.db2.gz NFWAONRAXDWQNV-DOMZBBRYSA-N 2 0 292.398 2.974 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106807 414207685 /nfs/dbraw/zinc/20/76/85/414207685.db2.gz DGSWCGVNQBJUMX-GJZGRUSLSA-N 2 0 297.512 2.979 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000658108347 414208002 /nfs/dbraw/zinc/20/80/02/414208002.db2.gz NLZXXQFHSGRPJM-DLBZAZTESA-N 2 0 291.483 2.918 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)s1 ZINC000658109129 414211292 /nfs/dbraw/zinc/21/12/92/414211292.db2.gz QUAOUACRKIARLM-ZFWWWQNUSA-N 2 0 297.512 2.979 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000665261596 414217174 /nfs/dbraw/zinc/21/71/74/414217174.db2.gz HHXSPGCHZKBNEF-UTUOFQBUSA-N 2 0 284.350 2.592 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000665261590 414217511 /nfs/dbraw/zinc/21/75/11/414217511.db2.gz HHXSPGCHZKBNEF-GRYCIOLGSA-N 2 0 284.350 2.592 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000665261594 414218516 /nfs/dbraw/zinc/21/85/16/414218516.db2.gz HHXSPGCHZKBNEF-SRVKXCTJSA-N 2 0 284.350 2.592 20 0 CFADRP Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H]2CCCSC2)cc1 ZINC000665257952 414219086 /nfs/dbraw/zinc/21/90/86/414219086.db2.gz ZPOFQOVJUCNWQA-JYJNAYRXSA-N 2 0 294.439 2.756 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000665280547 414241649 /nfs/dbraw/zinc/24/16/49/414241649.db2.gz FVYLTOOBYHNRAG-DZGCQCFKSA-N 2 0 263.429 2.777 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281528 414242113 /nfs/dbraw/zinc/24/21/13/414242113.db2.gz FSKUAMMBDIDJMH-QLFBSQMISA-N 2 0 270.461 2.789 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CCC2)c1 ZINC000665283236 414247701 /nfs/dbraw/zinc/24/77/01/414247701.db2.gz JRDVBNUHSPIEAM-LSDHHAIUSA-N 2 0 274.408 2.934 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283637 414252562 /nfs/dbraw/zinc/25/25/62/414252562.db2.gz RMAJTYWQCJZZBS-LAVFITLUSA-N 2 0 294.483 2.950 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000665283823 414253100 /nfs/dbraw/zinc/25/31/00/414253100.db2.gz VRPDDBRYPCLKPS-YLFCFFPRSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(c2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000665299518 414272912 /nfs/dbraw/zinc/27/29/12/414272912.db2.gz OLYSLGJZWPCUTR-RLFYNMQTSA-N 2 0 272.436 2.942 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000665300155 414273307 /nfs/dbraw/zinc/27/33/07/414273307.db2.gz ZFOPOKFXRDNMBR-MOPGFXCFSA-N 3 0 299.462 2.843 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299576 414274023 /nfs/dbraw/zinc/27/40/23/414274023.db2.gz PMDKKSBUEDTURW-JYJNAYRXSA-N 2 0 296.418 2.577 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C)C1 ZINC000658207017 414280054 /nfs/dbraw/zinc/28/00/54/414280054.db2.gz RQAIMIKOFDNOQQ-QRJUGERDSA-N 2 0 250.430 2.743 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000037714978 173633089 /nfs/dbraw/zinc/63/30/89/173633089.db2.gz OPRHIHXQJAKSNZ-CYBMUJFWSA-N 2 0 250.386 2.863 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655686377 414363834 /nfs/dbraw/zinc/36/38/34/414363834.db2.gz FHWSACYUZVRFOO-UKRRQHHQSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655691901 414368956 /nfs/dbraw/zinc/36/89/56/414368956.db2.gz ZYBXGEWHTVREAH-HZPDHXFCSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CS1 ZINC000655702392 414375049 /nfs/dbraw/zinc/37/50/49/414375049.db2.gz VMLWUFCYYQUTKJ-OCCSQVGLSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@@H]([NH2+]CCCc1ccco1)C1CC[NH+](C)CC1 ZINC000658326927 414377064 /nfs/dbraw/zinc/37/70/64/414377064.db2.gz LKWRDORLMQMDRC-CYBMUJFWSA-N 2 0 250.386 2.532 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658331569 414382527 /nfs/dbraw/zinc/38/25/27/414382527.db2.gz KXHMYUCWIDMDMB-OWLYRPNTSA-N 2 0 288.435 2.664 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655717178 414386146 /nfs/dbraw/zinc/38/61/46/414386146.db2.gz WJZWAMBCDNGGOY-ZFWWWQNUSA-N 2 0 270.486 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000655839622 414472347 /nfs/dbraw/zinc/47/23/47/414472347.db2.gz VOFBLAJZONOHBV-DGXTUMSLSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000655759686 414414459 /nfs/dbraw/zinc/41/44/59/414414459.db2.gz FPZWDAFBLGQQHR-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP COc1cc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)ccn1 ZINC000655775080 414424204 /nfs/dbraw/zinc/42/42/04/414424204.db2.gz OIVRTNXNPOFYQS-GFCCVEGCSA-N 2 0 282.347 2.589 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CS1 ZINC000655777435 414427063 /nfs/dbraw/zinc/42/70/63/414427063.db2.gz UYIVNQRMQSJYOS-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655784586 414432824 /nfs/dbraw/zinc/43/28/24/414432824.db2.gz DFEAFACHKXNXNQ-IRXDYDNUSA-N 2 0 280.456 2.798 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153397 414434620 /nfs/dbraw/zinc/43/46/20/414434620.db2.gz REZMGIUEXGXMIZ-DOTOQJQBSA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655792501 414437822 /nfs/dbraw/zinc/43/78/22/414437822.db2.gz JUDFFUXHALDURJ-KBPBESRZSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662158372 414438723 /nfs/dbraw/zinc/43/87/23/414438723.db2.gz SGIJVSVEEDZTCD-QZTJIDSGSA-N 2 0 288.435 2.669 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000655804970 414449473 /nfs/dbraw/zinc/44/94/73/414449473.db2.gz HGVYTEMSOFMUAH-BJJXKVORSA-N 2 0 292.398 2.969 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655804875 414449532 /nfs/dbraw/zinc/44/95/32/414449532.db2.gz DVJMFMWSKJBRIU-RVSPLBMKSA-N 2 0 289.423 2.636 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000655805677 414450377 /nfs/dbraw/zinc/45/03/77/414450377.db2.gz REGNRIKMUJXLNT-LZWOXQAQSA-N 2 0 274.408 2.830 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805159 414450413 /nfs/dbraw/zinc/45/04/13/414450413.db2.gz JQLYCBOOFLWYEQ-XGUBFFRZSA-N 2 0 268.445 2.508 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000655805439 414451038 /nfs/dbraw/zinc/45/10/38/414451038.db2.gz OCFDTJRLYQDCLZ-BJJXKVORSA-N 2 0 292.398 2.969 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000655806966 414451715 /nfs/dbraw/zinc/45/17/15/414451715.db2.gz FOZQMKSSYRVPIG-JMSVASOKSA-N 2 0 250.361 2.817 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000655825286 414462033 /nfs/dbraw/zinc/46/20/33/414462033.db2.gz CLPDFRKBUXAIGW-AKAXFMLLSA-N 2 0 284.407 2.507 20 0 CFADRP Cc1ccc(F)c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655826049 414462189 /nfs/dbraw/zinc/46/21/89/414462189.db2.gz DXUVDSJBSUBXGC-XBXGTLAGSA-N 2 0 250.361 2.564 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826514 414462870 /nfs/dbraw/zinc/46/28/70/414462870.db2.gz GTPAPSUONMEPHJ-JWUONQFLSA-N 2 0 274.408 2.638 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000655827043 414464055 /nfs/dbraw/zinc/46/40/55/414464055.db2.gz OKNCQBLILSXMBZ-GSJFWJNXSA-N 2 0 270.779 2.909 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352556 414397292 /nfs/dbraw/zinc/39/72/92/414397292.db2.gz GWVOHZYRCWXFIA-ZDUSSCGKSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cccc(OC)c2C)CC1 ZINC000658353854 414397866 /nfs/dbraw/zinc/39/78/66/414397866.db2.gz QLLLXFHQESKGJQ-UHFFFAOYSA-N 2 0 262.397 2.578 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2nccn21 ZINC000658353106 414398940 /nfs/dbraw/zinc/39/89/40/414398940.db2.gz JYHSGISLNIUKJC-CZUORRHYSA-N 2 0 288.439 2.601 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000658357701 414399683 /nfs/dbraw/zinc/39/96/83/414399683.db2.gz VOBWKOASZSIXHX-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccncc1 ZINC000658355142 414400175 /nfs/dbraw/zinc/40/01/75/414400175.db2.gz HSAOVKHRSMLIKN-AWEZNQCLSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354654 414400432 /nfs/dbraw/zinc/40/04/32/414400432.db2.gz FGRZJGUNWMQFET-AWEZNQCLSA-N 2 0 288.439 2.558 20 0 CFADRP COC1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658357978 414402503 /nfs/dbraw/zinc/40/25/03/414402503.db2.gz WRLPEQNQZPIHRV-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658358023 414402524 /nfs/dbraw/zinc/40/25/24/414402524.db2.gz XNQAVQQCGQWQKA-ZDUSSCGKSA-N 2 0 290.455 2.501 20 0 CFADRP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249540 414476002 /nfs/dbraw/zinc/47/60/02/414476002.db2.gz WOYYBLQDEOJGKI-IAGOWNOFSA-N 2 0 286.419 2.653 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249364 414476439 /nfs/dbraw/zinc/47/64/39/414476439.db2.gz UHNNTRFXCLTDDN-WBVHZDCISA-N 2 0 288.435 2.808 20 0 CFADRP C[C@](C[NH3+])([NH2+]CCSc1ccc(F)cc1F)C1CC1 ZINC000662247849 414476660 /nfs/dbraw/zinc/47/66/60/414476660.db2.gz MVQSMOFMCPTSIP-CQSZACIVSA-N 2 0 286.391 2.774 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCO1 ZINC000655847377 414476858 /nfs/dbraw/zinc/47/68/58/414476858.db2.gz AJKYHTLENBWDMC-SJORKVTESA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000655848822 414477042 /nfs/dbraw/zinc/47/70/42/414477042.db2.gz LUTOFOJZUWTAOB-TWMKSMIVSA-N 2 0 280.456 2.797 20 0 CFADRP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000655848619 414477251 /nfs/dbraw/zinc/47/72/51/414477251.db2.gz IYIBIBRLYGFUGO-UHOSZYNNSA-N 2 0 299.462 2.872 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000662267446 414483997 /nfs/dbraw/zinc/48/39/97/414483997.db2.gz VWXCNWQLICBCLU-LUKYLMHMSA-N 2 0 280.456 2.641 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000662266336 414484624 /nfs/dbraw/zinc/48/46/24/414484624.db2.gz MBWWTGYWSHGUFI-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cc(C2CC2)no1)CC1CCCC1 ZINC000662271877 414488362 /nfs/dbraw/zinc/48/83/62/414488362.db2.gz AVXARWFMJJAKGH-UHFFFAOYSA-N 2 0 277.412 2.893 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662272671 414488513 /nfs/dbraw/zinc/48/85/13/414488513.db2.gz GURFMTLZVPOCQE-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@H]1CC[NH3+])C1CCCCC1 ZINC000662271852 414489111 /nfs/dbraw/zinc/48/91/11/414489111.db2.gz AQLGUKAWARYPOZ-HOTGVXAUSA-N 2 0 268.445 2.785 20 0 CFADRP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662272710 414489250 /nfs/dbraw/zinc/48/92/50/414489250.db2.gz GZLKGHCZDRJOPV-UPJWGTAASA-N 2 0 260.372 2.599 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1c(F)cccc1Cl ZINC000662280093 414493622 /nfs/dbraw/zinc/49/36/22/414493622.db2.gz CIOQSZBFXMCZIN-MNOVXSKESA-N 2 0 298.789 2.651 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCOCc1ccccc1)CC[NH2+]CC2 ZINC000662284510 414494745 /nfs/dbraw/zinc/49/47/45/414494745.db2.gz WDLFDUMFBFPWIP-MRXNPFEDSA-N 2 0 288.435 2.667 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCC3CCC3)CC2)C1 ZINC000662281852 414494886 /nfs/dbraw/zinc/49/48/86/414494886.db2.gz QCLMLZZIWMJFON-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000662284470 414495069 /nfs/dbraw/zinc/49/50/69/414495069.db2.gz YLJHDMDDTCTZCG-SOVHRIKKSA-N 2 0 292.467 2.641 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)n1 ZINC000655948792 414496324 /nfs/dbraw/zinc/49/63/24/414496324.db2.gz DNRQBLAIYSZXRM-CYBMUJFWSA-N 2 0 292.427 2.808 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CCC1 ZINC000662292640 414496647 /nfs/dbraw/zinc/49/66/47/414496647.db2.gz GSYOOWMSVMFZQB-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ncsc1CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293741 414497171 /nfs/dbraw/zinc/49/71/71/414497171.db2.gz SXBZMZSUEKUKCL-HNNXBMFYSA-N 2 0 293.480 2.706 20 0 CFADRP CC(C)(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000655941698 414497678 /nfs/dbraw/zinc/49/76/78/414497678.db2.gz ZRHJXXDKMIUOSF-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000662299074 414498334 /nfs/dbraw/zinc/49/83/34/414498334.db2.gz JUOOHIILHVNWGN-OAHLLOKOSA-N 2 0 278.440 2.554 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298045 414498833 /nfs/dbraw/zinc/49/88/33/414498833.db2.gz UHKBETUVWQNKLP-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP c1coc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662298202 414499482 /nfs/dbraw/zinc/49/94/82/414499482.db2.gz MILQVKHFWQICLJ-AWEZNQCLSA-N 2 0 262.397 2.849 20 0 CFADRP c1coc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662298203 414499746 /nfs/dbraw/zinc/49/97/46/414499746.db2.gz MILQVKHFWQICLJ-CQSZACIVSA-N 2 0 262.397 2.849 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1F ZINC000662303089 414501374 /nfs/dbraw/zinc/50/13/74/414501374.db2.gz SBMYWLIUNSNHJB-BBRMVZONSA-N 2 0 292.398 2.633 20 0 CFADRP CC(C)(C)c1ccc(CN2CC3CC2(C[NH3+])C3)cc1 ZINC000662307386 414502306 /nfs/dbraw/zinc/50/23/06/414502306.db2.gz HIBCWIZQMMCTLL-UHFFFAOYSA-N 2 0 258.409 2.907 20 0 CFADRP Cc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662317247 414504853 /nfs/dbraw/zinc/50/48/53/414504853.db2.gz NVMWACNBXIBTLX-QGZVFWFLSA-N 2 0 276.424 2.538 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC000662324147 414506761 /nfs/dbraw/zinc/50/67/61/414506761.db2.gz VHXOKNXZPJDNEH-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000656193340 414529901 /nfs/dbraw/zinc/52/99/01/414529901.db2.gz HHFCLHRFCUXCOK-MJBXVCDLSA-N 2 0 256.434 2.558 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000656193894 414530104 /nfs/dbraw/zinc/53/01/04/414530104.db2.gz XGWIGBKOAYDRTH-JKSUJKDBSA-N 2 0 281.488 2.891 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 ZINC000656196761 414531728 /nfs/dbraw/zinc/53/17/28/414531728.db2.gz FDKXOJJXXAYAEL-QZWWFDLISA-N 2 0 292.398 2.905 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c[nH]c21 ZINC000656196915 414531882 /nfs/dbraw/zinc/53/18/82/414531882.db2.gz UQPKMOIQIJOMNV-LSDHHAIUSA-N 2 0 271.408 2.878 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000656197837 414532306 /nfs/dbraw/zinc/53/23/06/414532306.db2.gz BMPJKGRAMTXNKI-XYPHTWIQSA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(s2)CCCC3)C1 ZINC000656196798 414532501 /nfs/dbraw/zinc/53/25/01/414532501.db2.gz LDUBISMFCSBTPS-CHWSQXEVSA-N 2 0 264.438 2.986 20 0 CFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000656196055 414532773 /nfs/dbraw/zinc/53/27/73/414532773.db2.gz WZTCJMADWZGMNO-ZIAGYGMSSA-N 2 0 287.407 2.579 20 0 CFADRP COc1ccccc1C1([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656200631 414533798 /nfs/dbraw/zinc/53/37/98/414533798.db2.gz SGIMBIREIQZKNJ-STQMWFEESA-N 2 0 260.381 2.544 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000656200848 414533897 /nfs/dbraw/zinc/53/38/97/414533897.db2.gz RVQRXNUVKUNUTP-AWEZNQCLSA-N 2 0 298.434 2.754 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000656201211 414534155 /nfs/dbraw/zinc/53/41/55/414534155.db2.gz KQZGTGSGHGWXTH-OLZOCXBDSA-N 2 0 284.407 2.526 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662398457 414534823 /nfs/dbraw/zinc/53/48/23/414534823.db2.gz DXZVAGWOFYORCJ-AWEZNQCLSA-N 2 0 291.439 2.746 20 0 CFADRP COc1c(C)cccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000656201198 414534869 /nfs/dbraw/zinc/53/48/69/414534869.db2.gz VCDXYJRGBOFKLR-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP OC1(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCC1 ZINC000662451095 414545585 /nfs/dbraw/zinc/54/55/85/414545585.db2.gz JFAICXMSXUEMIL-UHFFFAOYSA-N 2 0 294.483 2.880 20 0 CFADRP c1ccc([C@@H]2CC[C@@H](C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000659848955 414586003 /nfs/dbraw/zinc/58/60/03/414586003.db2.gz CODJTZANNDFVFK-VDHUWJSZSA-N 2 0 270.420 2.722 20 0 CFADRP [NH3+]C1(CC(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)CC1 ZINC000662707830 414597090 /nfs/dbraw/zinc/59/70/90/414597090.db2.gz MPRAJKJPYFLQNT-UHFFFAOYSA-N 2 0 284.363 2.650 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCC1CCCCC1 ZINC000659868004 414598040 /nfs/dbraw/zinc/59/80/40/414598040.db2.gz LWGDVWLGAPKLAL-INIZCTEOSA-N 2 0 270.461 2.590 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C[C@H]1CCC[NH+](C)C1 ZINC000659946634 414626454 /nfs/dbraw/zinc/62/64/54/414626454.db2.gz HSGFCSWBWWWFTI-QXSJWSMHSA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000656270081 414555836 /nfs/dbraw/zinc/55/58/36/414555836.db2.gz XSVRUIAOCQZVJW-SIXLDLHFSA-N 2 0 258.409 2.720 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659844147 414581482 /nfs/dbraw/zinc/58/14/82/414581482.db2.gz JRTOUKVJKGQABW-OAGGEKHMSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H](CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[NH+](C)C ZINC000662634164 414582071 /nfs/dbraw/zinc/58/20/71/414582071.db2.gz QQMINNHVQYZHLG-GOEBONIOSA-N 2 0 297.487 2.521 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C ZINC000659983180 414639844 /nfs/dbraw/zinc/63/98/44/414639844.db2.gz GGPKHGNTVMLNPG-QMHWVQJVSA-N 2 0 250.430 2.837 20 0 CFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656697284 414641754 /nfs/dbraw/zinc/64/17/54/414641754.db2.gz AGIZNAMKIRWGFD-BZUAXINKSA-N 2 0 270.461 2.588 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000415071369 287288996 /nfs/dbraw/zinc/28/89/96/287288996.db2.gz SSZAFFWDPTWLSE-NJAFHUGGSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000449712437 287289326 /nfs/dbraw/zinc/28/93/26/287289326.db2.gz RSYNNXPXYGCHOZ-AHCXZYCDSA-N 2 0 294.483 2.780 20 0 CFADRP CC1(C)C[C@H]([N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CO1 ZINC000660116071 414664646 /nfs/dbraw/zinc/66/46/46/414664646.db2.gz VAANYEVGBFVECK-BPUTZDHNSA-N 2 0 278.440 2.503 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663345374 414677558 /nfs/dbraw/zinc/67/75/58/414677558.db2.gz JEPIUDOAPIRSAF-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346219 414678324 /nfs/dbraw/zinc/67/83/24/414678324.db2.gz QYEXAFRMZDCSEZ-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000044494587 175181866 /nfs/dbraw/zinc/18/18/66/175181866.db2.gz JRGBLLIGVNCRRV-ZIAGYGMSSA-N 2 0 266.433 2.581 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000044515893 175190052 /nfs/dbraw/zinc/19/00/52/175190052.db2.gz LENNHOUORSGSIU-LBPRGKRZSA-N 2 0 280.387 2.827 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(OC)cc2)CC1 ZINC000044517696 175190393 /nfs/dbraw/zinc/19/03/93/175190393.db2.gz QSHOZUZGHNOTEL-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044530604 175194880 /nfs/dbraw/zinc/19/48/80/175194880.db2.gz AYADPGRLFMOJFV-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534400 175197447 /nfs/dbraw/zinc/19/74/47/175197447.db2.gz RCYBFHPUZLSZJV-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534446 175197457 /nfs/dbraw/zinc/19/74/57/175197457.db2.gz YFNHOXNJLBMIPK-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP c1ccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c2c1 ZINC000044725718 175238111 /nfs/dbraw/zinc/23/81/11/175238111.db2.gz MUMFBXISUMFZSL-GFCCVEGCSA-N 2 0 253.349 2.883 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000057993986 175604480 /nfs/dbraw/zinc/60/44/80/175604480.db2.gz TZLVLZFJBLTKAN-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP CC(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000062734583 175673825 /nfs/dbraw/zinc/67/38/25/175673825.db2.gz QQDKFYCDMFLBGH-UHFFFAOYSA-N 2 0 289.467 2.963 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367631780 287347735 /nfs/dbraw/zinc/34/77/35/287347735.db2.gz FIKKUUPBFFRQRP-GDBMZVCRSA-N 2 0 290.455 2.889 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000372881311 287367899 /nfs/dbraw/zinc/36/78/99/287367899.db2.gz WYIGDUGOBYTVRO-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000362635072 287395061 /nfs/dbraw/zinc/39/50/61/287395061.db2.gz AERYJGMOASYHJB-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000357004572 287394238 /nfs/dbraw/zinc/39/42/38/287394238.db2.gz PWPWXHSAVYCBDR-HZPDHXFCSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000235380631 288505020 /nfs/dbraw/zinc/50/50/20/288505020.db2.gz RFSWVHIYSYJFKO-MNOVXSKESA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccnn1C ZINC000192678648 227263680 /nfs/dbraw/zinc/26/36/80/227263680.db2.gz ROBAEOGUYPHGQN-OAGGEKHMSA-N 2 0 292.471 2.829 20 0 CFADRP c1ccc(SCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400943806 420503129 /nfs/dbraw/zinc/50/31/29/420503129.db2.gz UCOIFTAAFCWBHA-RBSFLKMASA-N 2 0 276.449 2.756 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCCC1 ZINC000400926410 420502078 /nfs/dbraw/zinc/50/20/78/420502078.db2.gz HNGJYAONCULZFA-HRCADAONSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000179492048 260051379 /nfs/dbraw/zinc/05/13/79/260051379.db2.gz GKIIRPYTIHZTDV-UHFFFAOYSA-N 2 0 297.406 2.670 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1C ZINC000521645396 260198565 /nfs/dbraw/zinc/19/85/65/260198565.db2.gz GZXZYPSWXXYIRV-HZPDHXFCSA-N 2 0 275.440 2.681 20 0 CFADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313403661 260291373 /nfs/dbraw/zinc/29/13/73/260291373.db2.gz VHQSJZSKZWSIMM-PBHICJAKSA-N 2 0 276.424 2.921 20 0 CFADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313403663 260291416 /nfs/dbraw/zinc/29/14/16/260291416.db2.gz VHQSJZSKZWSIMM-WMLDXEAASA-N 2 0 276.424 2.921 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC(F)F ZINC000422814187 533684925 /nfs/dbraw/zinc/68/49/25/533684925.db2.gz TYMQDZNCYWLNRX-UWVGGRQHSA-N 2 0 288.338 2.512 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000221675187 270255280 /nfs/dbraw/zinc/25/52/80/270255280.db2.gz FQDIHUZTXNAYTO-XHSDSOJGSA-N 2 0 281.488 2.712 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)ccn1 ZINC000391129715 262382725 /nfs/dbraw/zinc/38/27/25/262382725.db2.gz FWTNMQHPUISXQM-GOEBONIOSA-N 2 0 261.413 2.790 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2nccs2)c2ccccc21 ZINC000391137826 262383096 /nfs/dbraw/zinc/38/30/96/262383096.db2.gz PVKBGBMMSVVAMD-UONOGXRCSA-N 2 0 273.405 2.810 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000314694474 265178421 /nfs/dbraw/zinc/17/84/21/265178421.db2.gz AUMJPXMZHAAETD-AEFFLSMTSA-N 2 0 288.435 2.756 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000011888907 265309492 /nfs/dbraw/zinc/30/94/92/265309492.db2.gz WRXCQSNZTUZQNX-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000097849771 265638137 /nfs/dbraw/zinc/63/81/37/265638137.db2.gz QWNNPIHDDUKVGA-UHFFFAOYSA-N 2 0 250.361 2.695 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cc(O)cc(F)c1 ZINC000514660618 266031651 /nfs/dbraw/zinc/03/16/51/266031651.db2.gz BXKIVKZZNNQXFJ-FFMGESDNSA-N 2 0 278.371 2.527 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000192754303 270233788 /nfs/dbraw/zinc/23/37/88/270233788.db2.gz MNQAGHYWSOGDOT-ROUUACIJSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)CCC[C@H]2C)CC1 ZINC000192746011 270233892 /nfs/dbraw/zinc/23/38/92/270233892.db2.gz FXGFEJLRJGFJDW-QZTJIDSGSA-N 2 0 295.515 2.913 20 0 CFADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192803930 270234411 /nfs/dbraw/zinc/23/44/11/270234411.db2.gz AVNYWYWYNUAWRK-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP CCC(CC)C[N@H+](CC)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000227800050 270257663 /nfs/dbraw/zinc/25/76/63/270257663.db2.gz RBGNCFHQDGVCTM-ROUUACIJSA-N 2 0 292.467 2.675 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000230475189 270259978 /nfs/dbraw/zinc/25/99/78/270259978.db2.gz MDFAKODPMRZWJA-YYIAUSFCSA-N 2 0 282.472 2.684 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000312989381 270289781 /nfs/dbraw/zinc/28/97/81/270289781.db2.gz LDLBWYUDPKIVTB-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccncn1 ZINC000395963425 270314323 /nfs/dbraw/zinc/31/43/23/270314323.db2.gz GMAJEDGZZVXSFW-ZIAGYGMSSA-N 2 0 264.417 2.638 20 0 CFADRP Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000396578858 270315486 /nfs/dbraw/zinc/31/54/86/270315486.db2.gz OJDCWOJSLVRPGN-UHFFFAOYSA-N 2 0 296.418 2.539 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000397255726 270316325 /nfs/dbraw/zinc/31/63/25/270316325.db2.gz FIVNXIGZHSGRKH-LOWVWBTDSA-N 2 0 252.427 2.862 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1OC ZINC000397346041 270316998 /nfs/dbraw/zinc/31/69/98/270316998.db2.gz SCXRWSWNNREATH-GUTXKFCHSA-N 2 0 292.423 2.509 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1OC ZINC000397346043 270317354 /nfs/dbraw/zinc/31/73/54/270317354.db2.gz SCXRWSWNNREATH-IPYPFGDCSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000397318035 270317391 /nfs/dbraw/zinc/31/73/91/270317391.db2.gz RVAFDDATIOEAOA-MBNYWOFBSA-N 2 0 250.361 2.631 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398087259 270321317 /nfs/dbraw/zinc/32/13/17/270321317.db2.gz IGWXPVPJZPVRIA-NUJGCVRESA-N 2 0 289.467 2.757 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)on1 ZINC000514956048 270359609 /nfs/dbraw/zinc/35/96/09/270359609.db2.gz SUJDTPOWDUJJKT-UHFFFAOYSA-N 2 0 265.401 2.535 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]CC2(C)CC2)ccc1F ZINC000515028492 270361066 /nfs/dbraw/zinc/36/10/66/270361066.db2.gz GACJTOLSBFCSIO-UHFFFAOYSA-N 2 0 250.361 2.777 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311045 270367301 /nfs/dbraw/zinc/36/73/01/270367301.db2.gz AQUKCGDWZDTHCN-HZPDHXFCSA-N 3 0 267.461 2.502 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000515517019 270372369 /nfs/dbraw/zinc/37/23/69/270372369.db2.gz YHKYCNBPOHAORW-HIFRSBDPSA-N 2 0 262.397 2.706 20 0 CFADRP [NH3+][C@H](CCC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000516026230 270377035 /nfs/dbraw/zinc/37/70/35/270377035.db2.gz YPDAAMCGUIOLIL-QGZVFWFLSA-N 2 0 295.386 2.709 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000516173610 270378156 /nfs/dbraw/zinc/37/81/56/270378156.db2.gz MDEAVXSHVLSXKJ-OAHLLOKOSA-N 2 0 262.397 2.662 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000516937981 270392267 /nfs/dbraw/zinc/39/22/67/270392267.db2.gz QYVMMVGJXGIUJC-DFGXFYAUSA-N 2 0 289.467 2.846 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000530243247 270779124 /nfs/dbraw/zinc/77/91/24/270779124.db2.gz GHBDIFBNUWHNIE-GOEBONIOSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530248477 270780011 /nfs/dbraw/zinc/78/00/11/270780011.db2.gz KXLUGVTVMSYESK-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423260311 274135771 /nfs/dbraw/zinc/13/57/71/274135771.db2.gz PYCWENBRURLUTE-CXAGYDPISA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037648869 274157845 /nfs/dbraw/zinc/15/78/45/274157845.db2.gz HZMKPAHGZPDJJW-GJZGRUSLSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423302082 274214690 /nfs/dbraw/zinc/21/46/90/274214690.db2.gz GULDWRYTZKZOKP-CBAPKCEASA-N 2 0 289.242 2.682 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2sccc21 ZINC000335157286 274318087 /nfs/dbraw/zinc/31/80/87/274318087.db2.gz BGKFLUBXIYQMQL-OCCSQVGLSA-N 2 0 294.464 2.733 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000345062350 274334876 /nfs/dbraw/zinc/33/48/76/274334876.db2.gz JJHKVEAOYRYUDE-NRSFXHEJSA-N 2 0 288.435 2.694 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000358343410 274335577 /nfs/dbraw/zinc/33/55/77/274335577.db2.gz HQFPQXFYXWYVDC-NVXWUHKLSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000252893385 274335854 /nfs/dbraw/zinc/33/58/54/274335854.db2.gz QIAFVQDXWBZMDB-BXUZGUMPSA-N 2 0 297.240 2.879 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CSCCc2ccccc21 ZINC000423382089 274377644 /nfs/dbraw/zinc/37/76/44/274377644.db2.gz DFRQVSNNXPOKNA-KCXAZCMYSA-N 2 0 276.449 2.605 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](COc3ccccc3)C2)CC[NH2+]1 ZINC000414719409 274385651 /nfs/dbraw/zinc/38/56/51/274385651.db2.gz YKHUNWGEULMGST-IXDOHACOSA-N 2 0 288.435 2.775 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000415076353 274386177 /nfs/dbraw/zinc/38/61/77/274386177.db2.gz GGZNDPFDMVQMSC-IJEWVQPXSA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCc3cc(N)ccc32)CC[NH2+]1 ZINC000332374728 274400799 /nfs/dbraw/zinc/40/07/99/274400799.db2.gz RJOHLJKQKMESLE-XNJGSVPQSA-N 2 0 273.424 2.624 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H]1CCC[NH2+]C1 ZINC000415098503 274529189 /nfs/dbraw/zinc/52/91/89/274529189.db2.gz FJJNDKDUNXSKSQ-MKBNYLNASA-N 2 0 262.372 2.791 20 0 CFADRP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335017352 274635692 /nfs/dbraw/zinc/63/56/92/274635692.db2.gz JEULDCRENYTRHG-VYXACLINSA-N 2 0 278.371 2.755 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)CC3 ZINC000414890308 274767337 /nfs/dbraw/zinc/76/73/37/274767337.db2.gz MKXZBUFSIJAHFT-CZUORRHYSA-N 2 0 283.419 2.661 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000335024171 274913427 /nfs/dbraw/zinc/91/34/27/274913427.db2.gz XJGBEMBZGSAHHS-GOEBONIOSA-N 2 0 262.372 2.935 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000236588211 275060938 /nfs/dbraw/zinc/06/09/38/275060938.db2.gz XCIACTJXTKNSQU-UGSOOPFHSA-N 2 0 286.419 2.844 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423352254 275061031 /nfs/dbraw/zinc/06/10/31/275061031.db2.gz AECAGHBONRSUKW-CJNGLKHVSA-N 2 0 260.381 2.501 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423427131 275069369 /nfs/dbraw/zinc/06/93/69/275069369.db2.gz IFACEIDLHXVPPJ-RBUKOAKNSA-N 2 0 284.447 2.912 20 0 CFADRP C([NH2+]CC1CCOCC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369704898 275394824 /nfs/dbraw/zinc/39/48/24/275394824.db2.gz SPLHUTFTQQFVCA-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000261590060 275395204 /nfs/dbraw/zinc/39/52/04/275395204.db2.gz WRYZCQFUIDFPLP-LXTVHRRPSA-N 2 0 268.470 2.640 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420403521 275592420 /nfs/dbraw/zinc/59/24/20/275592420.db2.gz LANQVSLMASEYDB-OAGGEKHMSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(F)CC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335007573 275898442 /nfs/dbraw/zinc/89/84/42/275898442.db2.gz RBNRGQWXNHESQF-CBPVBMDVSA-N 2 0 290.382 2.723 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048734 275921339 /nfs/dbraw/zinc/92/13/39/275921339.db2.gz INEHRMWPMABDBX-SSHXOBKSSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC000344324016 275941454 /nfs/dbraw/zinc/94/14/54/275941454.db2.gz FPWUZEQGRGSWSD-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246463370 276007098 /nfs/dbraw/zinc/00/70/98/276007098.db2.gz QAOCADCOSPDKIW-SIRPWMCASA-N 2 0 282.472 2.756 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000433171518 276029447 /nfs/dbraw/zinc/02/94/47/276029447.db2.gz ANQMOKGKISCBOA-IKGGRYGDSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CCC1 ZINC000453156556 276044505 /nfs/dbraw/zinc/04/45/05/276044505.db2.gz DTWULDDZEHXPHA-OKZBNKHCSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423254308 276058267 /nfs/dbraw/zinc/05/82/67/276058267.db2.gz ZVORWHSEOIIFKZ-RCCFBDPRSA-N 2 0 289.467 2.917 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000248585200 276116869 /nfs/dbraw/zinc/11/68/69/276116869.db2.gz XIHPCANEWVVFCP-USXIJHARSA-N 2 0 292.467 2.893 20 0 CFADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261992454 276133515 /nfs/dbraw/zinc/13/35/15/276133515.db2.gz SMCFXNFQRYGQPK-AWEZNQCLSA-N 2 0 258.409 2.779 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000449218413 276195029 /nfs/dbraw/zinc/19/50/29/276195029.db2.gz IAVBZPDVMCSZFF-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000308731317 276207906 /nfs/dbraw/zinc/20/79/06/276207906.db2.gz JOYNCZHMKDGBKS-MGPQQGTHSA-N 2 0 256.434 2.510 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(O)CCC(C)CC2)C[C@H]1C ZINC000438820397 276213856 /nfs/dbraw/zinc/21/38/56/276213856.db2.gz PMQWJIDFWORUPC-JCCCHCCOSA-N 2 0 282.472 2.732 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)C[C@@H]1C ZINC000336804329 276225318 /nfs/dbraw/zinc/22/53/18/276225318.db2.gz ZKQGMKLMFFVXFN-SOUVJXGZSA-N 2 0 268.445 2.749 20 0 CFADRP CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362705771 276226796 /nfs/dbraw/zinc/22/67/96/276226796.db2.gz ZIVJCOWTSHFPQF-IRXDYDNUSA-N 2 0 281.488 2.525 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@H](C)C1 ZINC000120420442 276229766 /nfs/dbraw/zinc/22/97/66/276229766.db2.gz CZICEACBEBRVAH-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CCCC1 ZINC000423416367 276272018 /nfs/dbraw/zinc/27/20/18/276272018.db2.gz QJUKBBXSLRNWGI-CVEARBPZSA-N 2 0 268.445 2.704 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CC2([NH3+])CCCCC2)CC1 ZINC000423182194 276272676 /nfs/dbraw/zinc/27/26/76/276272676.db2.gz QBKUTJGRFZTXKJ-UHFFFAOYSA-N 2 0 296.455 2.750 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423469744 276273136 /nfs/dbraw/zinc/27/31/36/276273136.db2.gz KKWQKJCZDPEZGT-JPQBHMHHSA-N 2 0 296.455 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000061571138 276325833 /nfs/dbraw/zinc/32/58/33/276325833.db2.gz CCBPLLSGYFBUGV-KBPBESRZSA-N 2 0 258.475 2.982 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC(O)CC2)c1 ZINC000285705924 276335078 /nfs/dbraw/zinc/33/50/78/276335078.db2.gz PHVHGSRWJKGWMS-UHFFFAOYSA-N 2 0 290.451 2.922 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229056301 276382587 /nfs/dbraw/zinc/38/25/87/276382587.db2.gz GYENHNDXVLFJOB-HIFRSBDPSA-N 2 0 262.397 2.502 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]([NH3+])CC(C)C)C1 ZINC000414715567 276398913 /nfs/dbraw/zinc/39/89/13/276398913.db2.gz YUJZMKFOHUIIBW-BFHYXJOUSA-N 2 0 258.475 2.966 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422760940 276441666 /nfs/dbraw/zinc/44/16/66/276441666.db2.gz QPXKGXHNOGHUFN-BBWFWOEESA-N 2 0 258.409 2.664 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCOC1 ZINC000124346965 276583433 /nfs/dbraw/zinc/58/34/33/276583433.db2.gz NDYUTOWIEMDPFD-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423069201 276585826 /nfs/dbraw/zinc/58/58/26/276585826.db2.gz APDMHMZFORONKF-XSLAGTTESA-N 2 0 288.435 2.884 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000423492175 276699726 /nfs/dbraw/zinc/69/97/26/276699726.db2.gz LZMBRICCFYMFOD-MVWJERBFSA-N 2 0 267.442 2.792 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1CCc2ccccc2CC1 ZINC000453095623 276783577 /nfs/dbraw/zinc/78/35/77/276783577.db2.gz UPKFBHQEOHHQMI-UHFFFAOYSA-N 2 0 260.425 2.865 20 0 CFADRP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000334214519 276803656 /nfs/dbraw/zinc/80/36/56/276803656.db2.gz GJMVYSUMLWMUHE-GFCCVEGCSA-N 2 0 273.355 2.762 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423537368 276849768 /nfs/dbraw/zinc/84/97/68/276849768.db2.gz CPRBHVODNNSJQU-UHDSXZAQSA-N 2 0 262.441 2.933 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297118505 277023509 /nfs/dbraw/zinc/02/35/09/277023509.db2.gz YLTRTMQJJWQREE-AWEZNQCLSA-N 2 0 291.826 2.964 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000227328695 277025319 /nfs/dbraw/zinc/02/53/19/277025319.db2.gz ZNFKSFPEAYRXQM-HNNXBMFYSA-N 2 0 288.435 2.874 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000334155615 277026605 /nfs/dbraw/zinc/02/66/05/277026605.db2.gz VULSTNMDJZWKMO-INIZCTEOSA-N 2 0 274.408 2.701 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000335869949 277032201 /nfs/dbraw/zinc/03/22/01/277032201.db2.gz GCBGZWAQPQEAAW-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000459729281 277053252 /nfs/dbraw/zinc/05/32/52/277053252.db2.gz IXQYVJLLVLKLLO-ZDUSSCGKSA-N 2 0 278.444 2.529 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425551477 277059627 /nfs/dbraw/zinc/05/96/27/277059627.db2.gz JOKPKVRNQGJSQX-IAGOWNOFSA-N 2 0 292.467 2.752 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](C2CCCC2)C1 ZINC000420967431 277078325 /nfs/dbraw/zinc/07/83/25/277078325.db2.gz YRCDQCKMJVOJEQ-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423223470 277083106 /nfs/dbraw/zinc/08/31/06/277083106.db2.gz ABXDKUAZDBPXAA-QGLTVNCISA-N 2 0 275.396 2.566 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000092043212 277083841 /nfs/dbraw/zinc/08/38/41/277083841.db2.gz NUZDQKAYYCTOLR-JSGCOSHPSA-N 2 0 250.411 2.664 20 0 CFADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@@H]3CCC(C)(C)C3)C2)CC1 ZINC000377634002 277107119 /nfs/dbraw/zinc/10/71/19/277107119.db2.gz YZNFIXBXLOJSNQ-DLBZAZTESA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCC[N@@H+]2CCCC2(C)C)CC1 ZINC000449783668 277151443 /nfs/dbraw/zinc/15/14/43/277151443.db2.gz QXDVNGGMRPSXQI-UHFFFAOYSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@H]2CCC[C@@H]21 ZINC000423280469 277171055 /nfs/dbraw/zinc/17/10/55/277171055.db2.gz SQDZTXKRGNZTEP-SQNIBIBYSA-N 2 0 293.499 2.761 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@H]2CCC[C@H]21 ZINC000423280467 277171109 /nfs/dbraw/zinc/17/11/09/277171109.db2.gz SQDZTXKRGNZTEP-FGTMMUONSA-N 2 0 293.499 2.761 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@H]2CCC[C@H]21 ZINC000348211690 277171581 /nfs/dbraw/zinc/17/15/81/277171581.db2.gz FQWQPYWGBPFTAR-LJISPDSOSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1c1ccccc1 ZINC000424369713 277172740 /nfs/dbraw/zinc/17/27/40/277172740.db2.gz CENHMOVUTIJXFE-BSDSXHPESA-N 2 0 287.451 2.681 20 0 CFADRP COC1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423166375 277193667 /nfs/dbraw/zinc/19/36/67/277193667.db2.gz CLXPVHBZKCPCGG-CIDNJEQPSA-N 2 0 268.445 2.844 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309901248 277239056 /nfs/dbraw/zinc/23/90/56/277239056.db2.gz OXZTUMZRQOCZJU-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000423169335 277245779 /nfs/dbraw/zinc/24/57/79/277245779.db2.gz JDPZAAFKOYDFAP-BRWVUGGUSA-N 2 0 290.451 2.770 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000422993409 277259835 /nfs/dbraw/zinc/25/98/35/277259835.db2.gz SUCSWNMZFSOZAA-BBRMVZONSA-N 2 0 276.424 2.753 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000419208189 277277666 /nfs/dbraw/zinc/27/76/66/277277666.db2.gz QRZNSTIYRRDPJG-SJORKVTESA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000414342068 277303696 /nfs/dbraw/zinc/30/36/96/277303696.db2.gz WWOLKMPOZHKCEB-HOTGVXAUSA-N 2 0 273.424 2.576 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422838535 277353942 /nfs/dbraw/zinc/35/39/42/277353942.db2.gz OSDQPMAYSWOFCD-QZTJIDSGSA-N 3 0 295.515 2.852 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353511539 277367790 /nfs/dbraw/zinc/36/77/90/277367790.db2.gz BUDKAQRHODAWNX-HZMVEIRTSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337290232 277392279 /nfs/dbraw/zinc/39/22/79/277392279.db2.gz LYJBTCAQPXEAMW-CVEARBPZSA-N 2 0 270.461 2.758 20 0 CFADRP COc1ccc(OCCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422904111 277424279 /nfs/dbraw/zinc/42/42/79/277424279.db2.gz XAQUNLCKHXZFJH-UHFFFAOYSA-N 2 0 292.423 2.571 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000414691134 277443377 /nfs/dbraw/zinc/44/33/77/277443377.db2.gz OHMDGSDVWGIKOV-QZTJIDSGSA-N 2 0 295.515 2.804 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000423047193 277465987 /nfs/dbraw/zinc/46/59/87/277465987.db2.gz FVJBFFUCXPYZHV-ILXRZTDVSA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415115700 277471532 /nfs/dbraw/zinc/47/15/32/277471532.db2.gz XDVULTQFFFQPCI-UAGQMJEPSA-N 2 0 282.472 2.887 20 0 CFADRP CSCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768968 277510605 /nfs/dbraw/zinc/51/06/05/277510605.db2.gz ZTSYXVHOAMAELC-HOCLYGCPSA-N 2 0 292.448 2.585 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422770431 277519364 /nfs/dbraw/zinc/51/93/64/277519364.db2.gz WPUGEFBZZDMGJQ-RQJABVFESA-N 2 0 256.459 2.638 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157283757 277585319 /nfs/dbraw/zinc/58/53/19/277585319.db2.gz ZSMQTPGPZOFENL-IAGOWNOFSA-N 2 0 273.424 2.594 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)C1CCOCC1 ZINC000340473409 277618336 /nfs/dbraw/zinc/61/83/36/277618336.db2.gz CAMNMIPYQYHLRZ-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193977297 277713755 /nfs/dbraw/zinc/71/37/55/277713755.db2.gz DNZKGKIBBFYMQC-BRWVUGGUSA-N 2 0 292.467 2.800 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414836570 277720383 /nfs/dbraw/zinc/72/03/83/277720383.db2.gz JQDIKVZGRLUSPM-BPUTZDHNSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346917 277963505 /nfs/dbraw/zinc/96/35/05/277963505.db2.gz IDFSHIWXRWVRJD-DLBZAZTESA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CC2 ZINC000414854991 277966727 /nfs/dbraw/zinc/96/67/27/277966727.db2.gz MOGHZNTUOVBQPB-JLJPHGGASA-N 2 0 288.435 2.530 20 0 CFADRP C[C@@H]1C[C@@H](CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)CC[NH2+]1 ZINC000414867409 277971122 /nfs/dbraw/zinc/97/11/22/277971122.db2.gz INHWNPNWEWRUJQ-MCIONIFRSA-N 2 0 291.414 2.512 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367587907 278009573 /nfs/dbraw/zinc/00/95/73/278009573.db2.gz KOCPPSBZVTTZDE-RCCFBDPRSA-N 2 0 288.435 2.700 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250440585 278012767 /nfs/dbraw/zinc/01/27/67/278012767.db2.gz JXKKBDCDWCDOJX-BRWVUGGUSA-N 2 0 274.408 2.706 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000360945084 278047319 /nfs/dbraw/zinc/04/73/19/278047319.db2.gz CRUGICKRBRTPAN-HOCLYGCPSA-N 2 0 288.435 2.657 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261719941 278086264 /nfs/dbraw/zinc/08/62/64/278086264.db2.gz FSIWRFFNKTXAEJ-HYVNUMGLSA-N 2 0 258.409 2.864 20 0 CFADRP CSC1(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000347934524 278125261 /nfs/dbraw/zinc/12/52/61/278125261.db2.gz FIGUDLGLZLITMN-ZIAGYGMSSA-N 2 0 270.486 2.840 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401013509 278200931 /nfs/dbraw/zinc/20/09/31/278200931.db2.gz HVZMEMHUUBPKFJ-VNHYZAJKSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432799228 278225488 /nfs/dbraw/zinc/22/54/88/278225488.db2.gz WJBCYNJECWJWDX-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000423295330 278232567 /nfs/dbraw/zinc/23/25/67/278232567.db2.gz WPOXGBVWYBYJPG-LRDDRELGSA-N 2 0 284.407 2.607 20 0 CFADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000286974012 278240076 /nfs/dbraw/zinc/24/00/76/278240076.db2.gz IROIFSUJPORONB-XYJFISCASA-N 2 0 289.467 2.579 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423305067 278245638 /nfs/dbraw/zinc/24/56/38/278245638.db2.gz KBVHXVMYIMLZGG-JOYOIKCWSA-N 2 0 287.329 2.662 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCOC1 ZINC000356831797 278257762 /nfs/dbraw/zinc/25/77/62/278257762.db2.gz AZVMAPAMQFBRDG-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422850863 278264650 /nfs/dbraw/zinc/26/46/50/278264650.db2.gz OHXHDRHBGSUTRD-JBLDHEPKSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@@H](C[NH2+]C1Cc2ccccc2C1)C[NH+]1CCCCC1 ZINC000038041966 278282780 /nfs/dbraw/zinc/28/27/80/278282780.db2.gz BPDPMAKUDDPKRC-HNNXBMFYSA-N 2 0 272.436 2.865 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2cccnc2CC1)C[NH+]1CCCC1 ZINC000421819103 278287173 /nfs/dbraw/zinc/28/71/73/278287173.db2.gz FDOXCKXCKIHWGP-RDJZCZTQSA-N 2 0 287.451 2.651 20 0 CFADRP CC(C)(C)C1CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415045160 278301673 /nfs/dbraw/zinc/30/16/73/278301673.db2.gz SRBZXDAUGMUDBI-YMAMQOFZSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1ccccn1 ZINC000423150464 278315752 /nfs/dbraw/zinc/31/57/52/278315752.db2.gz ZATGVWHWJMFORZ-WBVHZDCISA-N 2 0 297.446 2.907 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414856640 278336235 /nfs/dbraw/zinc/33/62/35/278336235.db2.gz OSJXDESLFOFFOH-HZPDHXFCSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341171985 278338277 /nfs/dbraw/zinc/33/82/77/278338277.db2.gz CYBMMASJUOLQNU-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151780606 278348866 /nfs/dbraw/zinc/34/88/66/278348866.db2.gz HAZQYDJDQBBUKO-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422965678 278349910 /nfs/dbraw/zinc/34/99/10/278349910.db2.gz PIJITUPLFMJIKS-PMPSAXMXSA-N 2 0 291.439 2.537 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423137972 288037632 /nfs/dbraw/zinc/03/76/32/288037632.db2.gz IMEKZZBUOHGZGL-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422911350 278367173 /nfs/dbraw/zinc/36/71/73/278367173.db2.gz KMTAILVLEASVEF-COXVUDFISA-N 2 0 258.409 2.738 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000451156308 278389262 /nfs/dbraw/zinc/38/92/62/278389262.db2.gz SMHCKJIOPGDZNW-NPCUJANDSA-N 2 0 280.456 2.795 20 0 CFADRP CC[C@H](NC[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422790026 288044461 /nfs/dbraw/zinc/04/44/61/288044461.db2.gz UNTLRPDCSFVCDH-BZSNNMDCSA-N 2 0 289.467 2.718 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000359015848 278498236 /nfs/dbraw/zinc/49/82/36/278498236.db2.gz DSZXOARAWRMUQT-IRXDYDNUSA-N 2 0 294.483 2.804 20 0 CFADRP CCC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401026258 278652013 /nfs/dbraw/zinc/65/20/13/278652013.db2.gz NRVRYGXTINXLAN-KVDYFSNESA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1(C(=O)OC)CCC1 ZINC000354086405 288067789 /nfs/dbraw/zinc/06/77/89/288067789.db2.gz PKAKVSDVCSNMFK-KFWWJZLASA-N 2 0 296.455 2.571 20 0 CFADRP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000274924849 278709447 /nfs/dbraw/zinc/70/94/47/278709447.db2.gz PTQKVEQZYOLIRQ-OAHLLOKOSA-N 2 0 259.397 2.845 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422829388 278763529 /nfs/dbraw/zinc/76/35/29/278763529.db2.gz BYGRAWCQYAUYPU-AEFFLSMTSA-N 3 0 295.515 2.722 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422837080 278763538 /nfs/dbraw/zinc/76/35/38/278763538.db2.gz LGPPMUJUISOGOB-ROUUACIJSA-N 3 0 295.515 2.994 20 0 CFADRP CCC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccnc1 ZINC000423317008 278871230 /nfs/dbraw/zinc/87/12/30/278871230.db2.gz BCAZIGSYJKHQSV-OAHLLOKOSA-N 2 0 261.413 2.902 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178973947 279004933 /nfs/dbraw/zinc/00/49/33/279004933.db2.gz JFUPXKCKDPJBDN-PBHICJAKSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423504001 279014519 /nfs/dbraw/zinc/01/45/19/279014519.db2.gz FROSJYSFRNEEOC-YQPCPPDFSA-N 2 0 276.399 2.976 20 0 CFADRP C[C@@H]1[N@H+](CC[C@H]2CCCC[NH+]2C)CCC12CCOCC2 ZINC000334254150 279025479 /nfs/dbraw/zinc/02/54/79/279025479.db2.gz XSNXCKAVVPEKPO-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000192695046 279027757 /nfs/dbraw/zinc/02/77/57/279027757.db2.gz ZSTAHXUNWQJBRJ-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP Cc1n[nH]cc1C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000375349815 279060672 /nfs/dbraw/zinc/06/06/72/279060672.db2.gz PTCHHYHSZWUOQI-INIZCTEOSA-N 2 0 290.455 2.772 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000249919547 279100211 /nfs/dbraw/zinc/10/02/11/279100211.db2.gz AGIGKBBDWQXQOC-GVDBMIGSSA-N 2 0 281.488 2.619 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000345357660 279101529 /nfs/dbraw/zinc/10/15/29/279101529.db2.gz PTEJPOIPYFDKMV-KKUMJFAQSA-N 2 0 278.444 2.989 20 0 CFADRP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c2ccccc21 ZINC000291226267 279118995 /nfs/dbraw/zinc/11/89/95/279118995.db2.gz WHVZUFWLCBGKMO-RHSMWYFYSA-N 2 0 297.402 2.534 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000347437148 279124865 /nfs/dbraw/zinc/12/48/65/279124865.db2.gz KXHGNOIJPPYFFT-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422731658 279165149 /nfs/dbraw/zinc/16/51/49/279165149.db2.gz MCTUJCQRPKXCPB-BRWVUGGUSA-N 2 0 275.440 2.539 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000414690630 279179496 /nfs/dbraw/zinc/17/94/96/279179496.db2.gz NEDVMCKGIDXQEX-KSZLIROESA-N 2 0 295.515 2.946 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000422915626 279256322 /nfs/dbraw/zinc/25/63/22/279256322.db2.gz YUUZIKNWGACSDL-GHMZBOCLSA-N 2 0 267.442 2.800 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CC3(C)CCC3)CC2)CC1 ZINC000420984914 279258542 /nfs/dbraw/zinc/25/85/42/279258542.db2.gz VIKOTCNHTQVBGG-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1sc(C[NH2+]C2CCC([NH3+])CC2)nc1C(C)C ZINC000422712729 279283422 /nfs/dbraw/zinc/28/34/22/279283422.db2.gz OOZCJIMUDKYPBT-UHFFFAOYSA-N 2 0 267.442 2.934 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000364390334 279349134 /nfs/dbraw/zinc/34/91/34/279349134.db2.gz XENYFKRQBDUCBT-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000268837988 279350079 /nfs/dbraw/zinc/35/00/79/279350079.db2.gz DTXCGFWDIGQVPZ-LZLYRXPVSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H](CNc1cc[nH+]c2ccccc12)C[NH+]1CCOCC1 ZINC000265545999 279355591 /nfs/dbraw/zinc/35/55/91/279355591.db2.gz FREHNXNKGZFJMW-CQSZACIVSA-N 2 0 285.391 2.615 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337389114 279356281 /nfs/dbraw/zinc/35/62/81/279356281.db2.gz MPRAGGRFLQEESO-KURKYZTESA-N 2 0 293.499 2.572 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000449080773 279356395 /nfs/dbraw/zinc/35/63/95/279356395.db2.gz ZBRIVNMDPFIPFO-OKZBNKHCSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CCC[NH3+] ZINC000437777693 279377036 /nfs/dbraw/zinc/37/70/36/279377036.db2.gz UHZGCHVGDCUXCE-SECBINFHSA-N 2 0 261.196 2.863 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)C1 ZINC000248465021 279396115 /nfs/dbraw/zinc/39/61/15/279396115.db2.gz ZWHDBNGMAHUNNX-HIFRSBDPSA-N 2 0 289.423 2.637 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423243465 279400563 /nfs/dbraw/zinc/40/05/63/279400563.db2.gz ZWTAOCIPTGQLBU-CABZTGNLSA-N 2 0 254.374 2.690 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC1(C)C ZINC000487270051 279456614 /nfs/dbraw/zinc/45/66/14/279456614.db2.gz OZJHEPGSDRUMAE-QMCVQRASSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000423386156 279543323 /nfs/dbraw/zinc/54/33/23/279543323.db2.gz RJJPYRVADAICLZ-IPYPFGDCSA-N 2 0 290.407 2.639 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000415035504 279656430 /nfs/dbraw/zinc/65/64/30/279656430.db2.gz KPQVYBLOEQBANJ-AAEUAGOBSA-N 2 0 283.213 2.666 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC(OCC[NH+](C)C)CC2)C1 ZINC000357004570 279687080 /nfs/dbraw/zinc/68/70/80/279687080.db2.gz PWPWXHSAVYCBDR-HOTGVXAUSA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123240 279688247 /nfs/dbraw/zinc/68/82/47/279688247.db2.gz KSQJSXNWWJBAGY-WYUUTHIRSA-N 2 0 264.335 2.825 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000354453289 279736333 /nfs/dbraw/zinc/73/63/33/279736333.db2.gz ATPUIWIQUUVUKV-ODZFXCKXSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2)C[C@@H](C)O1 ZINC000237504665 288160263 /nfs/dbraw/zinc/16/02/63/288160263.db2.gz OUYQHQJJMFYNQF-HZPDHXFCSA-N 2 0 276.424 2.666 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C12CCCC2 ZINC000085680763 279814305 /nfs/dbraw/zinc/81/43/05/279814305.db2.gz WWIUKFIHUKPBCR-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccnc1 ZINC000415083683 279851445 /nfs/dbraw/zinc/85/14/45/279851445.db2.gz NLGSXYLEYYXFEG-HLLBOEOZSA-N 2 0 275.440 2.799 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccnc1 ZINC000415086554 279851687 /nfs/dbraw/zinc/85/16/87/279851687.db2.gz RXVMCWZZYDQPGX-BDVYOWHSSA-N 2 0 275.440 2.928 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C12CCCC2 ZINC000422811418 279875376 /nfs/dbraw/zinc/87/53/76/279875376.db2.gz VWCPYGZBXKPILZ-LVQVYYBASA-N 2 0 280.456 2.831 20 0 CFADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358721587 280121326 /nfs/dbraw/zinc/12/13/26/280121326.db2.gz XHZLVURYUUWRPF-CJNGLKHVSA-N 2 0 270.461 2.636 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000362287072 280184896 /nfs/dbraw/zinc/18/48/96/280184896.db2.gz SUPYFESOXJALIB-SJORKVTESA-N 2 0 289.423 2.598 20 0 CFADRP CC[C@@H](NC[C@H]1CCCC[N@@H+]1CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422992467 280189773 /nfs/dbraw/zinc/18/97/73/280189773.db2.gz COJVIHVJHGISTF-ZACQAIPSSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccnc1 ZINC000361922399 280254452 /nfs/dbraw/zinc/25/44/52/280254452.db2.gz IPYNXXDUIZQWRS-BHYGNILZSA-N 2 0 275.440 2.751 20 0 CFADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346980743 280261295 /nfs/dbraw/zinc/26/12/95/280261295.db2.gz MNPGONBHYXMQOZ-MSOLQXFVSA-N 2 0 290.451 2.505 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422811944 280268621 /nfs/dbraw/zinc/26/86/21/280268621.db2.gz VLJVWMKFWSTMJV-WBMJQRKESA-N 2 0 264.388 2.590 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091334826 280332440 /nfs/dbraw/zinc/33/24/40/280332440.db2.gz DDKOIRWJQCIUAB-WMZOPIPTSA-N 2 0 289.467 2.609 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000353392656 280440351 /nfs/dbraw/zinc/44/03/51/280440351.db2.gz GYXWCPFGODUOLR-GYTBAZASSA-N 2 0 268.445 2.652 20 0 CFADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000090526195 280569383 /nfs/dbraw/zinc/56/93/83/280569383.db2.gz ZCGZZFDGGULJDN-IRXDYDNUSA-N 2 0 292.467 2.533 20 0 CFADRP c1cn(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000093491316 280576152 /nfs/dbraw/zinc/57/61/52/280576152.db2.gz NLNRGABAPVTUKM-YESZJQIVSA-N 2 0 290.455 2.564 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000127995330 280671145 /nfs/dbraw/zinc/67/11/45/280671145.db2.gz FWIZEJSTJGQPKT-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422884224 280835281 /nfs/dbraw/zinc/83/52/81/280835281.db2.gz DOLJYNNKKLTZSO-VYDXJSESSA-N 2 0 260.425 2.965 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000247007882 281002840 /nfs/dbraw/zinc/00/28/40/281002840.db2.gz KEFWFCZYDCKQKA-LZWOXQAQSA-N 2 0 294.414 2.913 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247136197 281006375 /nfs/dbraw/zinc/00/63/75/281006375.db2.gz RXRFNACBUBPASL-MAUKXSAKSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000247234246 281008698 /nfs/dbraw/zinc/00/86/98/281008698.db2.gz XDVBUYBRFNMSHR-ZOMKSWQUSA-N 2 0 294.414 2.911 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000247892902 281016917 /nfs/dbraw/zinc/01/69/17/281016917.db2.gz FWIZEJSTJGQPKT-KKUMJFAQSA-N 2 0 256.434 2.512 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000248058953 281017352 /nfs/dbraw/zinc/01/73/52/281017352.db2.gz XWORJUMJNCWHAW-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)[C@@H](C)C1 ZINC000248170597 281018300 /nfs/dbraw/zinc/01/83/00/281018300.db2.gz URPLPEYVOAYZLD-YJNKXOJESA-N 2 0 270.486 2.981 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000248582243 281026970 /nfs/dbraw/zinc/02/69/70/281026970.db2.gz FOHQFDDBVHUNAI-HKUMRIAESA-N 2 0 281.469 2.873 20 0 CFADRP C[C@@H]([NH+](C)CC(O)C[N@@H+](C)[C@H](C)C1(C)CC1)C1(C)CC1 ZINC000248764389 281034005 /nfs/dbraw/zinc/03/40/05/281034005.db2.gz ZZKJEPFTHYFISJ-ZIAGYGMSSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000249010321 281044637 /nfs/dbraw/zinc/04/46/37/281044637.db2.gz ONUFHOMVJMPEGS-ZTFGCOKTSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501056276 281065071 /nfs/dbraw/zinc/06/50/71/281065071.db2.gz RPHYPVWGPIXBAF-ROUUACIJSA-N 2 0 295.515 2.961 20 0 CFADRP COC[C@@H](C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249945163 281068839 /nfs/dbraw/zinc/06/88/39/281068839.db2.gz UFOMSIRZSBYLBV-FUHWJXTLSA-N 2 0 290.451 2.723 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000181747039 281069731 /nfs/dbraw/zinc/06/97/31/281069731.db2.gz CGDCFJFIQJDJSJ-GVDBMIGSSA-N 2 0 282.472 2.782 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000250550955 281070044 /nfs/dbraw/zinc/07/00/44/281070044.db2.gz AEIQZKPKCZMFOJ-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP c1sc2ccccc2c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000259037294 281111126 /nfs/dbraw/zinc/11/11/26/281111126.db2.gz PECMLMJJBDPJHI-LBPRGKRZSA-N 2 0 260.406 2.991 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000259101196 281111715 /nfs/dbraw/zinc/11/17/15/281111715.db2.gz UQWSTXSIXRAOQY-QGZVFWFLSA-N 2 0 260.425 2.974 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+]CC1CC[NH2+]CC1 ZINC000259079349 281111720 /nfs/dbraw/zinc/11/17/20/281111720.db2.gz SPPIIWSCYVDNCP-UHFFFAOYSA-N 2 0 260.425 2.862 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000302167563 281169687 /nfs/dbraw/zinc/16/96/87/281169687.db2.gz SETUHEYICLKMBL-UHFFFAOYSA-N 2 0 267.376 2.828 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCC1 ZINC000357886895 281180905 /nfs/dbraw/zinc/18/09/05/281180905.db2.gz WRIFLYWFBNKNJR-ARFHVFGLSA-N 2 0 292.467 2.656 20 0 CFADRP Fc1ccc(Cl)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000394087096 281194591 /nfs/dbraw/zinc/19/45/91/281194591.db2.gz KKRFDVSWSKTEAB-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP Brc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cs1 ZINC000398188592 281205237 /nfs/dbraw/zinc/20/52/37/281205237.db2.gz JKJRQRLNPRWSOZ-VIFPVBQESA-N 2 0 289.242 2.600 20 0 CFADRP FC(F)OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000398240119 281205594 /nfs/dbraw/zinc/20/55/94/281205594.db2.gz WHSQKBOINRRPNG-FRRDWIJNSA-N 2 0 276.371 2.516 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420373148 281220336 /nfs/dbraw/zinc/22/03/36/281220336.db2.gz MCEGSNQXFGGIGN-CABCVRRESA-N 2 0 276.428 2.553 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000422929831 281222391 /nfs/dbraw/zinc/22/23/91/281222391.db2.gz RQDZTNHOHDYAEJ-WDEREUQCSA-N 2 0 297.240 2.578 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423009775 281223095 /nfs/dbraw/zinc/22/30/95/281223095.db2.gz DVLDOWYSPHOSNU-CABCVRRESA-N 2 0 278.440 2.981 20 0 CFADRP CC[C@H]([NH2+]CCC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423009707 281223141 /nfs/dbraw/zinc/22/31/41/281223141.db2.gz DLGKXZDANRWNDE-ROUUACIJSA-N 2 0 272.436 2.912 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000423009595 281223281 /nfs/dbraw/zinc/22/32/81/281223281.db2.gz VWMQYKKXPYBFIR-NJZAAPMLSA-N 2 0 250.386 2.639 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437754664 281237364 /nfs/dbraw/zinc/23/73/64/281237364.db2.gz BNMUOUHUHXCLIZ-OFLPRAFFSA-N 2 0 294.414 2.633 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC2CCCC2)C[C@H]1C ZINC000459367920 281258795 /nfs/dbraw/zinc/25/87/95/281258795.db2.gz VSTQLNLVHFIDKL-NVXWUHKLSA-N 2 0 282.472 2.998 20 0 CFADRP CC[NH+]1C[C@H](C)N(C[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000459451464 281265644 /nfs/dbraw/zinc/26/56/44/281265644.db2.gz BJLNPRMCMMSGOY-YESZJQIVSA-N 2 0 281.488 2.664 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000515711789 281296741 /nfs/dbraw/zinc/29/67/41/281296741.db2.gz AMVPORNZGBZRQC-KBMXLJTQSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C)CC1 ZINC000185244983 281308052 /nfs/dbraw/zinc/30/80/52/281308052.db2.gz STRFCEJSDSZEPJ-UHFFFAOYSA-N 2 0 255.365 2.603 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000520197382 281309499 /nfs/dbraw/zinc/30/94/99/281309499.db2.gz MOVPTZQSLFODGJ-GJZGRUSLSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000521029573 281310735 /nfs/dbraw/zinc/31/07/35/281310735.db2.gz IBKDNOSKKRXHLC-JYJNAYRXSA-N 2 0 290.451 2.635 20 0 CFADRP CC1(C)C[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423022371 281331800 /nfs/dbraw/zinc/33/18/00/281331800.db2.gz FCFWZUWUIUAJOM-UKPHBRMFSA-N 2 0 272.392 2.630 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)O1 ZINC000247161126 281360466 /nfs/dbraw/zinc/36/04/66/281360466.db2.gz UEVHEQQMLYPIDI-IHRRRGAJSA-N 2 0 266.429 2.549 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420294625 281392600 /nfs/dbraw/zinc/39/26/00/281392600.db2.gz BLOQRWXELLXZKX-HOTGVXAUSA-N 2 0 258.409 2.784 20 0 CFADRP CC(C)[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532221781 281445804 /nfs/dbraw/zinc/44/58/04/281445804.db2.gz GLCHJSRELRODBO-SJLPKXTDSA-N 2 0 289.467 2.609 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cscn2)CC1 ZINC000535066717 281497069 /nfs/dbraw/zinc/49/70/69/281497069.db2.gz LDXREJBTKOEEBQ-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261991370 288354145 /nfs/dbraw/zinc/35/41/45/288354145.db2.gz SKYXJJVUVBFZLL-KRWDZBQOSA-N 2 0 258.409 2.823 20 0 CFADRP CC(C)C(C[NH2+]CC1(O)CC[NH+](C(C)C)CC1)C(C)C ZINC000551244729 281833339 /nfs/dbraw/zinc/83/33/39/281833339.db2.gz JARAITLHSLHPDO-UHFFFAOYSA-N 2 0 284.488 2.740 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000554735314 281902743 /nfs/dbraw/zinc/90/27/43/281902743.db2.gz VLJAIWUGDQMNIT-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N(C)C)C1 ZINC000559731167 282010000 /nfs/dbraw/zinc/01/00/00/282010000.db2.gz VWJMRZKMGGLJGZ-HNNXBMFYSA-N 2 0 275.440 2.573 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000560291371 282020579 /nfs/dbraw/zinc/02/05/79/282020579.db2.gz LQYYXOKUXRMJCM-CBBWQLFWSA-N 2 0 268.445 2.510 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000356605727 282023940 /nfs/dbraw/zinc/02/39/40/282023940.db2.gz HFHYYLWFFDXXRZ-RBSFLKMASA-N 2 0 297.487 2.532 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000560518573 282032757 /nfs/dbraw/zinc/03/27/57/282032757.db2.gz DLJOUERGXWFVPB-JKSUJKDBSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCCC(C)(C)C1 ZINC000561981152 282064095 /nfs/dbraw/zinc/06/40/95/282064095.db2.gz ZOWWUFVLOZWFQW-QGZVFWFLSA-N 2 0 295.515 2.772 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cscn2)CC[NH+](C)CC1 ZINC000562104615 282066967 /nfs/dbraw/zinc/06/69/67/282066967.db2.gz VCAPTEJUEVUYQO-LLVKDONJSA-N 2 0 285.482 2.621 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CCCC1 ZINC000183953072 289094451 /nfs/dbraw/zinc/09/44/51/289094451.db2.gz ACPOUUJUCCLARD-OAGGEKHMSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459800658 289111690 /nfs/dbraw/zinc/11/16/90/289111690.db2.gz KOLIDTKVUXLWDE-UONOGXRCSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@]1(C[NH+]2CCC(OC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261741990 289163614 /nfs/dbraw/zinc/16/36/14/289163614.db2.gz IMJGXSYGFARETO-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCC(C)(C)C ZINC000337174473 289334025 /nfs/dbraw/zinc/33/40/25/289334025.db2.gz HFZOLLYFQFDXAD-PMPSAXMXSA-N 2 0 282.472 2.996 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000449090392 289693743 /nfs/dbraw/zinc/69/37/43/289693743.db2.gz NQMYIFATWBMMGX-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CCC[NH+](C)C)C2CC2)cc1 ZINC000151969681 289835446 /nfs/dbraw/zinc/83/54/46/289835446.db2.gz BFZUPWYLNLUYOV-QGZVFWFLSA-N 2 0 260.425 2.857 20 0 CFADRP Cc1ccoc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152682216 289852952 /nfs/dbraw/zinc/85/29/52/289852952.db2.gz QNZPBXLZAINXLP-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154374370 289892851 /nfs/dbraw/zinc/89/28/51/289892851.db2.gz XBNDAUDNYRNLPH-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC000133076946 289939503 /nfs/dbraw/zinc/93/95/03/289939503.db2.gz KYXUVCPYBPXSSO-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423520852 290024599 /nfs/dbraw/zinc/02/45/99/290024599.db2.gz WNGQYMNSUIPKFR-RRFJBIMHSA-N 2 0 284.407 2.650 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000401028000 290025532 /nfs/dbraw/zinc/02/55/32/290025532.db2.gz OKVSPPHAROLMQE-ARLBYUKCSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C1CCC1)[NH+](C)CC(O)C[N@@H+](C)[C@H](C)C1CCC1 ZINC000447299946 290032024 /nfs/dbraw/zinc/03/20/24/290032024.db2.gz AJDLTQAXTIEADB-ZIAGYGMSSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CCCC[C@H]1C ZINC000562519253 290050550 /nfs/dbraw/zinc/05/05/50/290050550.db2.gz CLZDHWNEMWMTSA-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000183186105 290052193 /nfs/dbraw/zinc/05/21/93/290052193.db2.gz INLKTFDYJJYCJI-TWMKSMIVSA-N 2 0 293.499 2.712 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000562956076 290085324 /nfs/dbraw/zinc/08/53/24/290085324.db2.gz CRQRWFXYGPDJTL-KGLIPLIRSA-N 2 0 294.439 2.785 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000562956198 290085732 /nfs/dbraw/zinc/08/57/32/290085732.db2.gz JKRYSEIXUMRQLS-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000562957157 290086000 /nfs/dbraw/zinc/08/60/00/290086000.db2.gz RUBMBPQOMSRLSI-NKFCBESUSA-N 2 0 259.397 2.545 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000562960404 290086494 /nfs/dbraw/zinc/08/64/94/290086494.db2.gz SCHKVMDDFVBWNU-QWHCGFSZSA-N 2 0 293.480 2.672 20 0 CFADRP CCCc1ccc([C@@H]([NH2+]C[C@](C)(O)C[NH2+]C)C(C)C)cc1 ZINC000563271654 290126491 /nfs/dbraw/zinc/12/64/91/290126491.db2.gz XLRKFLCOHCVHSV-ZWKOTPCHSA-N 2 0 292.467 2.896 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000563422111 290148605 /nfs/dbraw/zinc/14/86/05/290148605.db2.gz KIUYXIGTZALLQO-GFCCVEGCSA-N 2 0 252.427 2.930 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000563423866 290149150 /nfs/dbraw/zinc/14/91/50/290149150.db2.gz PJJYXNNQNWRXOL-STQMWFEESA-N 2 0 264.388 2.963 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000563444822 290153130 /nfs/dbraw/zinc/15/31/30/290153130.db2.gz RGQXMMGLKLTHCE-KGLIPLIRSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CCC(CC[NH3+])CC1 ZINC000563543306 290159312 /nfs/dbraw/zinc/15/93/12/290159312.db2.gz SHSWKYDLILJIMD-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP COCC1(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000563623906 290164633 /nfs/dbraw/zinc/16/46/33/290164633.db2.gz XSMBHKYABXYRMP-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000563734588 290171794 /nfs/dbraw/zinc/17/17/94/290171794.db2.gz WNHMODBZWMUFCW-NWDGAFQWSA-N 2 0 267.442 2.669 20 0 CFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000564203470 290196278 /nfs/dbraw/zinc/19/62/78/290196278.db2.gz GEGKHMJPPIUTGN-MAUKXSAKSA-N 2 0 290.451 2.615 20 0 CFADRP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000564973651 290254297 /nfs/dbraw/zinc/25/42/97/290254297.db2.gz NNHQAZNYNTWSFY-KBPBESRZSA-N 2 0 291.464 2.842 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000437768401 290255908 /nfs/dbraw/zinc/25/59/08/290255908.db2.gz BKBWZOLGIHLXRE-AGERRDQYSA-N 2 0 287.451 2.681 20 0 CFADRP [NH3+]CC12CCC(CC1)CN2CCCOc1ccccc1 ZINC000565222396 290284718 /nfs/dbraw/zinc/28/47/18/290284718.db2.gz PTSDZSMHLGVZQZ-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1c(C)noc1C ZINC000565225585 290285081 /nfs/dbraw/zinc/28/50/81/290285081.db2.gz GBFWCKKEAIFWIT-AGIUHOORSA-N 2 0 251.374 2.602 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2O1 ZINC000565225815 290285851 /nfs/dbraw/zinc/28/58/51/290285851.db2.gz HLWDOKVCQMPPQZ-QVHKTLOISA-N 2 0 260.381 2.758 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000565468384 290303277 /nfs/dbraw/zinc/30/32/77/290303277.db2.gz MIDQLJFZWJCHQO-BGTYHANMSA-N 2 0 288.435 2.742 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566010214 290340667 /nfs/dbraw/zinc/34/06/67/290340667.db2.gz DZRUNGMKCGQIMJ-GJZGRUSLSA-N 2 0 278.827 2.814 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC1CCCC1)C(C)(C)C ZINC000566115958 290349492 /nfs/dbraw/zinc/34/94/92/290349492.db2.gz MIGCEYJPWFGPSJ-HOTGVXAUSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000566230084 290360406 /nfs/dbraw/zinc/36/04/06/290360406.db2.gz GAWIIYFXHXHINJ-KGLIPLIRSA-N 2 0 286.423 2.611 20 0 CFADRP Cc1ccc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000566242717 290361433 /nfs/dbraw/zinc/36/14/33/290361433.db2.gz WSOMIYQFCDZUBX-GOSISDBHSA-N 2 0 272.436 2.859 20 0 CFADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000566481759 290393421 /nfs/dbraw/zinc/39/34/21/290393421.db2.gz JWOBXWBMBJKQKJ-KSZLIROESA-N 2 0 289.467 2.711 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCC[NH2+]C(C)C)CC2 ZINC000567375359 290459362 /nfs/dbraw/zinc/45/93/62/290459362.db2.gz WZACVCTZIUOZPD-OAHLLOKOSA-N 2 0 292.423 2.669 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1C[C@@H](OCC)C1(CC)CC ZINC000567462474 290464977 /nfs/dbraw/zinc/46/49/77/290464977.db2.gz ARRYBIGBEOEMAL-UONOGXRCSA-N 2 0 256.434 2.559 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000567647000 290480974 /nfs/dbraw/zinc/48/09/74/290480974.db2.gz KRZAPICMIWQZJX-GDBMZVCRSA-N 2 0 289.423 2.620 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423239874 292836478 /nfs/dbraw/zinc/83/64/78/292836478.db2.gz BTWKRVMLUGOWIT-IUODEOHRSA-N 2 0 282.815 2.617 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000346876220 293091434 /nfs/dbraw/zinc/09/14/34/293091434.db2.gz JMHWZWPPSRNYQG-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000300096294 293097335 /nfs/dbraw/zinc/09/73/35/293097335.db2.gz FNLRASGGQSNQBC-YHUYYLMFSA-N 2 0 270.461 2.791 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000423408346 293295055 /nfs/dbraw/zinc/29/50/55/293295055.db2.gz ADLIFXLAWPEZKM-KLHDSHLOSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000423408348 293295184 /nfs/dbraw/zinc/29/51/84/293295184.db2.gz ADLIFXLAWPEZKM-XUWVNRHRSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CCC[NH2+]1 ZINC000414956189 293295645 /nfs/dbraw/zinc/29/56/45/293295645.db2.gz OIFDHHIKSSWSKQ-IJEWVQPXSA-N 2 0 268.445 2.559 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C12CCC2 ZINC000359973073 294037071 /nfs/dbraw/zinc/03/70/71/294037071.db2.gz IBUIGZYPBUGEEM-SDSMMKDESA-N 2 0 280.456 2.508 20 0 CFADRP FC(F)(F)C1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000415063832 294660471 /nfs/dbraw/zinc/66/04/71/294660471.db2.gz BCZYQRUPMRHHSC-UHFFFAOYSA-N 2 0 264.335 2.839 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000250630852 294674754 /nfs/dbraw/zinc/67/47/54/294674754.db2.gz CUPNYQZOIXLHEO-TUAOUCFPSA-N 2 0 264.335 2.697 20 0 CFADRP F[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000335632014 294728884 /nfs/dbraw/zinc/72/88/84/294728884.db2.gz SHNAYVNZGQINQO-HZPDHXFCSA-N 2 0 277.387 2.921 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423466055 295215601 /nfs/dbraw/zinc/21/56/01/295215601.db2.gz SHIQDPGQCRMAJO-PWKIXCGYSA-N 2 0 292.467 2.687 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000422841384 295223530 /nfs/dbraw/zinc/22/35/30/295223530.db2.gz VVWWVXNNLTWPGM-UHFFFAOYSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000423171237 295248643 /nfs/dbraw/zinc/24/86/43/295248643.db2.gz NRPNZWUBMPJUOL-JONQDZQNSA-N 2 0 250.430 2.920 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000423484217 295311712 /nfs/dbraw/zinc/31/17/12/295311712.db2.gz ZZUHRAGGBHWKDR-FIDHJVLJSA-N 2 0 280.456 2.689 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423271085 295337621 /nfs/dbraw/zinc/33/76/21/295337621.db2.gz ITVACYNCHRSLPX-WQVCFCJDSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccccc1/C=C\C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347089451 295347887 /nfs/dbraw/zinc/34/78/87/295347887.db2.gz DXQPTQFQHMLTOI-VSKVDJIOSA-N 2 0 274.408 2.768 20 0 CFADRP CSCC1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000423366573 295588887 /nfs/dbraw/zinc/58/88/87/295588887.db2.gz XXQAMSCOZCSFDJ-ROKHWSDSSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H](CCCC[NH3+])[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423164533 298385402 /nfs/dbraw/zinc/38/54/02/298385402.db2.gz SUGWSJXJLRRFOQ-ZIAGYGMSSA-N 2 0 256.459 2.723 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000310851341 298390664 /nfs/dbraw/zinc/39/06/64/298390664.db2.gz JDECSGBUSUZUTA-WFWUXJIDSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422754209 298390670 /nfs/dbraw/zinc/39/06/70/298390670.db2.gz GRVLVDWPVWUVMG-BZUAXINKSA-N 3 0 283.504 2.850 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000423444753 298393227 /nfs/dbraw/zinc/39/32/27/298393227.db2.gz XFGUUEIBEGSLDB-ABAIWWIYSA-N 2 0 265.376 2.779 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449123737 298619559 /nfs/dbraw/zinc/61/95/59/298619559.db2.gz ONQWDFHUVNDUSU-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000423044580 298877679 /nfs/dbraw/zinc/87/76/79/298877679.db2.gz BOIVOPATUZQPKY-BSWAZPDLSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000422792894 299001189 /nfs/dbraw/zinc/00/11/89/299001189.db2.gz ZZPYTVJPRRLHNB-IAOVAPTHSA-N 2 0 290.451 2.826 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263274219 299005543 /nfs/dbraw/zinc/00/55/43/299005543.db2.gz SPEZXEWKUYPJIG-SGIREYDYSA-N 2 0 275.396 2.552 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC[NH3+])c2cccc(Br)c21 ZINC000423177195 300436892 /nfs/dbraw/zinc/43/68/92/300436892.db2.gz IIEPMDVZRFOURU-JOYOIKCWSA-N 2 0 283.213 2.936 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000422760423 301786167 /nfs/dbraw/zinc/78/61/67/301786167.db2.gz MEGZENAJXIQAHH-ACJTYDJDSA-N 2 0 250.411 2.990 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000290178811 302063207 /nfs/dbraw/zinc/06/32/07/302063207.db2.gz NILJSFOHNXPRME-MUIFIZLQSA-N 2 0 288.435 2.617 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423246842 302100956 /nfs/dbraw/zinc/10/09/56/302100956.db2.gz KJDOWZBPEWYOTM-MAUKXSAKSA-N 2 0 272.436 2.905 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000423056475 302209168 /nfs/dbraw/zinc/20/91/68/302209168.db2.gz FYBYUEACVVKTAE-AIANPOQGSA-N 2 0 277.456 2.702 20 0 CFADRP [NH3+]CCOCC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000357093270 303383438 /nfs/dbraw/zinc/38/34/38/303383438.db2.gz XUJBMBZIBAEFPH-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000423284105 303402267 /nfs/dbraw/zinc/40/22/67/303402267.db2.gz XSTHFOYTPTWWOK-IUIKQTSFSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000423373492 303459877 /nfs/dbraw/zinc/45/98/77/303459877.db2.gz HPIJUPKCNCCAHF-NFAWXSAZSA-N 2 0 260.381 2.760 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC(F)F ZINC000422814188 533695840 /nfs/dbraw/zinc/69/58/40/533695840.db2.gz TYMQDZNCYWLNRX-VHSXEESVSA-N 2 0 288.338 2.512 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423542734 304858435 /nfs/dbraw/zinc/85/84/35/304858435.db2.gz MQTDELNPPHDUQT-ANQUJSFKSA-N 2 0 286.419 2.878 20 0 CFADRP c1ccc(CN2CC(C[NH2+][C@H]3CCCSC3)C2)cc1 ZINC000716255804 782069812 /nfs/dbraw/zinc/06/98/12/782069812.db2.gz VHNJVPKALQQGFK-INIZCTEOSA-N 2 0 276.449 2.604 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000162147795 322361019 /nfs/dbraw/zinc/36/10/19/322361019.db2.gz DUBPHKBJAPBYDW-DZGCQCFKSA-N 2 0 266.454 2.953 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2OC)[C@H](C)C1 ZINC000162727080 322368228 /nfs/dbraw/zinc/36/82/28/322368228.db2.gz ZSONYYAJNPFZCL-WBVHZDCISA-N 2 0 290.451 2.866 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000162976263 322370683 /nfs/dbraw/zinc/37/06/83/322370683.db2.gz IZIBHPIGPHGHGS-SMDDNHRTSA-N 2 0 268.351 2.580 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)[C@H](C)C1 ZINC000162980508 322371164 /nfs/dbraw/zinc/37/11/64/322371164.db2.gz AAKBWKMEMKPBQT-WBMJQRKESA-N 2 0 282.378 2.827 20 0 CFADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000163596822 322377630 /nfs/dbraw/zinc/37/76/30/322377630.db2.gz YBQITYCJNIZNAY-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000569914378 322504049 /nfs/dbraw/zinc/50/40/49/322504049.db2.gz LDVMUVHAVCLFJW-MRXNPFEDSA-N 2 0 296.842 2.885 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OC(F)F ZINC000571431289 322583053 /nfs/dbraw/zinc/58/30/53/322583053.db2.gz PVHSLMVVUCDAEJ-VHSXEESVSA-N 2 0 288.338 2.512 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000571701110 322593020 /nfs/dbraw/zinc/59/30/20/322593020.db2.gz FZAHNGQIIKJONU-XJKCOSOUSA-N 2 0 295.858 2.802 20 0 CFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CCC(C)(C)C ZINC000572287471 322613698 /nfs/dbraw/zinc/61/36/98/322613698.db2.gz SASLOIKQSWGJLS-UHFFFAOYSA-N 2 0 293.455 2.938 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc(F)cc1F ZINC000572493262 322621185 /nfs/dbraw/zinc/62/11/85/322621185.db2.gz FHEGKIXPROQAOF-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000572541789 322623105 /nfs/dbraw/zinc/62/31/05/322623105.db2.gz JNIPRDNQSDHVRA-JYJNAYRXSA-N 2 0 276.424 2.930 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@H]1CC1(C)C ZINC000572856251 322635008 /nfs/dbraw/zinc/63/50/08/322635008.db2.gz HKAPRZRCPDUQKN-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000572900243 322636403 /nfs/dbraw/zinc/63/64/03/322636403.db2.gz ZTMUZOJNAVIWGX-DMOGRIERSA-N 2 0 264.335 2.790 20 0 CFADRP C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000572951334 322638030 /nfs/dbraw/zinc/63/80/30/322638030.db2.gz DZLLDQWJWCNCHH-JLJPHGGASA-N 2 0 290.476 2.995 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000573107037 322644680 /nfs/dbraw/zinc/64/46/80/322644680.db2.gz QGIHCOPPIMMQGY-FPMFFAJLSA-N 2 0 282.815 2.967 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](CO)C(C)C ZINC000573772643 322668055 /nfs/dbraw/zinc/66/80/55/322668055.db2.gz SPLMLFZUCWISID-ZWKOTPCHSA-N 2 0 296.499 2.740 20 0 CFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000573844771 322670880 /nfs/dbraw/zinc/67/08/80/322670880.db2.gz KLHFMJMLPJGSOC-RYUDHWBXSA-N 2 0 290.386 2.535 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCOC2(CCC2)C1 ZINC000573911314 322673130 /nfs/dbraw/zinc/67/31/30/322673130.db2.gz BOWDGNIHSFEXIM-INIZCTEOSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000574400331 322691388 /nfs/dbraw/zinc/69/13/88/322691388.db2.gz HPTGGBVIUMZGDV-MCIONIFRSA-N 2 0 292.448 2.517 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000574629739 322699549 /nfs/dbraw/zinc/69/95/49/322699549.db2.gz OIJRVNDIMWJSPA-GFCCVEGCSA-N 2 0 282.378 2.875 20 0 CFADRP FC(F)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000575894474 322733614 /nfs/dbraw/zinc/73/36/14/322733614.db2.gz DYXUFXBVSBKCPE-LBPRGKRZSA-N 2 0 254.324 2.713 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(CC)CC ZINC000181700355 323821625 /nfs/dbraw/zinc/82/16/25/323821625.db2.gz BFEBWZSSLMYSFK-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP c1cc2c(s1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000211343844 324110827 /nfs/dbraw/zinc/11/08/27/324110827.db2.gz OTMBWFLKZLTYON-UHFFFAOYSA-N 2 0 284.428 2.952 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000345186657 324134596 /nfs/dbraw/zinc/13/45/96/324134596.db2.gz DIMAFSIKKOERAP-IXDOHACOSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC[C@H]2CCC[N@@H+]2C)C1 ZINC000348268183 324142714 /nfs/dbraw/zinc/14/27/14/324142714.db2.gz RVQWUVQPWUFGBZ-BFYDXBDKSA-N 2 0 282.472 2.638 20 0 CFADRP c1ccc(COC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000384174995 324444151 /nfs/dbraw/zinc/44/41/51/324444151.db2.gz YDLMUXGLXKFIDO-MRXNPFEDSA-N 2 0 288.435 2.667 20 0 CFADRP CCCC[C@@H](CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000576615950 324638913 /nfs/dbraw/zinc/63/89/13/324638913.db2.gz OEAGCQYWHORFRF-MRXNPFEDSA-N 2 0 297.487 2.537 20 0 CFADRP c1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000576725829 324652851 /nfs/dbraw/zinc/65/28/51/324652851.db2.gz ISNCSOVAILIUIJ-OAHLLOKOSA-N 2 0 296.418 2.623 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000577274152 324718408 /nfs/dbraw/zinc/71/84/08/324718408.db2.gz JSYNYBVKSQHSCQ-UHFFFAOYSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000577633194 324761530 /nfs/dbraw/zinc/76/15/30/324761530.db2.gz CEHKAJNXBDVONT-MNOVXSKESA-N 2 0 292.814 2.946 20 0 CFADRP CN1CC[NH+](CCCC[NH2+]CCCC2CCCCC2)CC1 ZINC000577799554 324781265 /nfs/dbraw/zinc/78/12/65/324781265.db2.gz KXYSEMWAAZUFHN-UHFFFAOYSA-N 2 0 295.515 2.964 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000577839716 324785881 /nfs/dbraw/zinc/78/58/81/324785881.db2.gz MEMYSTZAQNMRPI-ZDUSSCGKSA-N 2 0 250.386 2.734 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000578497235 324857980 /nfs/dbraw/zinc/85/79/80/324857980.db2.gz HSBPQYZKMJUHSN-IRXDYDNUSA-N 2 0 288.435 2.822 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C1 ZINC000578549582 324864148 /nfs/dbraw/zinc/86/41/48/324864148.db2.gz SDVATKBQZMLERR-QWHCGFSZSA-N 2 0 284.350 2.690 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000578867712 324897146 /nfs/dbraw/zinc/89/71/46/324897146.db2.gz ZFLBLNOBEXXOSE-STQMWFEESA-N 2 0 272.396 2.601 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000579341808 324941072 /nfs/dbraw/zinc/94/10/72/324941072.db2.gz ZAWGMFQDRUHODG-KRWDZBQOSA-N 2 0 287.451 2.651 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000579461625 324951845 /nfs/dbraw/zinc/95/18/45/324951845.db2.gz KVDAQCDKPBNUJJ-NVXWUHKLSA-N 2 0 276.424 2.744 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1F ZINC000579701101 324972835 /nfs/dbraw/zinc/97/28/35/324972835.db2.gz BWVLFVBYIXCMPT-OAHLLOKOSA-N 2 0 250.361 2.866 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000580062959 325003037 /nfs/dbraw/zinc/00/30/37/325003037.db2.gz GXMDEFOEYIROET-ZENOOKHLSA-N 2 0 274.408 2.803 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000580074331 325004084 /nfs/dbraw/zinc/00/40/84/325004084.db2.gz OWOKMZYIJRGLKI-GHMZBOCLSA-N 2 0 285.229 2.973 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC2CCC1CC2 ZINC000580075274 325004837 /nfs/dbraw/zinc/00/48/37/325004837.db2.gz AFDKADQCRARFOV-ZTOKUXEPSA-N 2 0 292.467 2.559 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000580330392 325027331 /nfs/dbraw/zinc/02/73/31/325027331.db2.gz IQFTZBWLUDKNKD-INIZCTEOSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCOCC[NH+](C)C ZINC000580400287 325031974 /nfs/dbraw/zinc/03/19/74/325031974.db2.gz MRMUNIQVVCWIGX-KRWDZBQOSA-N 2 0 290.451 2.849 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580582833 325049020 /nfs/dbraw/zinc/04/90/20/325049020.db2.gz VWASZHPQPCLMRG-MUIFIZLQSA-N 2 0 280.456 2.533 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCc1cccs1 ZINC000580768434 325062224 /nfs/dbraw/zinc/06/22/24/325062224.db2.gz DYOIAISRRFDNFO-UONOGXRCSA-N 2 0 252.427 2.930 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000581011837 325082888 /nfs/dbraw/zinc/08/28/88/325082888.db2.gz KVCUAJYIJNUXRR-WCVJEAGWSA-N 2 0 250.430 2.744 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000581125845 325092413 /nfs/dbraw/zinc/09/24/13/325092413.db2.gz OMQCYMYOMFBIMR-QWHCGFSZSA-N 2 0 293.480 2.814 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000581190820 325098732 /nfs/dbraw/zinc/09/87/32/325098732.db2.gz AMEUPJAFGYSPAB-QWHCGFSZSA-N 2 0 278.444 2.683 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2cncs2)CC1 ZINC000581296749 325108064 /nfs/dbraw/zinc/10/80/64/325108064.db2.gz HSTSXIAZWWUGHR-UHFFFAOYSA-N 2 0 281.469 2.738 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000581615379 325136804 /nfs/dbraw/zinc/13/68/04/325136804.db2.gz FJULOZLYZYGBIB-HNNXBMFYSA-N 2 0 287.382 2.981 20 0 CFADRP CCc1cccc(OCC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000581612864 325136979 /nfs/dbraw/zinc/13/69/79/325136979.db2.gz HPMAFSCTLLMKLP-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1F ZINC000581726125 325145848 /nfs/dbraw/zinc/14/58/48/325145848.db2.gz AOGXLINMTSWAGR-UHFFFAOYSA-N 2 0 288.366 2.973 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000581865062 325154440 /nfs/dbraw/zinc/15/44/40/325154440.db2.gz WEBOPKVAPRSTRN-GQFTXDSKSA-N 2 0 266.429 2.549 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000581937819 325161293 /nfs/dbraw/zinc/16/12/93/325161293.db2.gz UJIAYYVUXUPQNC-ZDUSSCGKSA-N 2 0 260.381 2.953 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000582271447 325191427 /nfs/dbraw/zinc/19/14/27/325191427.db2.gz ZUDAWNKKHWUACA-BZUAXINKSA-N 2 0 289.467 2.986 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000582271446 325191499 /nfs/dbraw/zinc/19/14/99/325191499.db2.gz ZUDAWNKKHWUACA-ARFHVFGLSA-N 2 0 289.467 2.986 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSCc1ccccc1 ZINC000582414365 325202954 /nfs/dbraw/zinc/20/29/54/325202954.db2.gz CDTCYWJBHIEGSU-CHWSQXEVSA-N 2 0 252.427 2.635 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000582473969 325208060 /nfs/dbraw/zinc/20/80/60/325208060.db2.gz VBCIBHHDUZGYRE-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000582600315 325217953 /nfs/dbraw/zinc/21/79/53/325217953.db2.gz RLHFLSXMZGXORR-KCXAZCMYSA-N 2 0 295.858 2.673 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000582617745 325221046 /nfs/dbraw/zinc/22/10/46/325221046.db2.gz YBDOQXBDUUUUPE-ARFHVFGLSA-N 2 0 295.858 2.802 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000582666839 325224105 /nfs/dbraw/zinc/22/41/05/325224105.db2.gz JXPHQJMFKYPOFA-GARJFASQSA-N 2 0 252.324 2.825 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000582856301 325240839 /nfs/dbraw/zinc/24/08/39/325240839.db2.gz NJMSHGJLOZNBEN-IAGOWNOFSA-N 2 0 298.434 2.849 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)C1 ZINC000583093918 325259880 /nfs/dbraw/zinc/25/98/80/325259880.db2.gz FWDMZBPQVUEDAK-GJZGRUSLSA-N 2 0 289.423 2.763 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000583137911 325262788 /nfs/dbraw/zinc/26/27/88/325262788.db2.gz RBDXHTZNKKKNBJ-TZMCWYRMSA-N 2 0 264.438 2.844 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCc2noc3ccccc32)[C@H](C)C1 ZINC000583575015 325297948 /nfs/dbraw/zinc/29/79/48/325297948.db2.gz PUSNDDBDGUSASN-TZMCWYRMSA-N 2 0 273.380 2.648 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C(C1CC1)C1CC1 ZINC000583636123 325300999 /nfs/dbraw/zinc/30/09/99/325300999.db2.gz JQAAXKGWNVPXAD-UHFFFAOYSA-N 2 0 270.420 2.953 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000583663608 325302111 /nfs/dbraw/zinc/30/21/11/325302111.db2.gz NQWOTDVMDZEGAP-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583822892 325312890 /nfs/dbraw/zinc/31/28/90/325312890.db2.gz BDXBERUNQJAMTG-OWCLPIDISA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000583928655 325318912 /nfs/dbraw/zinc/31/89/12/325318912.db2.gz QOZYORBXXWUGTC-OAHLLOKOSA-N 2 0 263.429 2.771 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])o1 ZINC000583928872 325319655 /nfs/dbraw/zinc/31/96/55/325319655.db2.gz WAULCFALKJPBII-YOEHRIQHSA-N 2 0 272.392 2.679 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CO1 ZINC000584231819 325339699 /nfs/dbraw/zinc/33/96/99/325339699.db2.gz RWQNKEXOGPZIRI-SRABZTEZSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])c(OC(F)F)cc1C ZINC000414883205 533715041 /nfs/dbraw/zinc/71/50/41/533715041.db2.gz MYZZETYCTLYFPF-NSHDSACASA-N 2 0 272.339 2.732 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300297787 518695358 /nfs/dbraw/zinc/69/53/58/518695358.db2.gz FLQKOZWFAMLZDG-CAOSSQGBSA-N 2 0 282.472 2.684 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340475310 500926840 /nfs/dbraw/zinc/92/68/40/500926840.db2.gz YBPLMPAXFQUJCY-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2C)CC1 ZINC000050577662 521551440 /nfs/dbraw/zinc/55/14/40/521551440.db2.gz FAXHOWYZMXIUDJ-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000226745279 521793758 /nfs/dbraw/zinc/79/37/58/521793758.db2.gz GIJYELHHEPHBLT-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423299701 533770903 /nfs/dbraw/zinc/77/09/03/533770903.db2.gz QLOUISHCIPSHMS-KBPBESRZSA-N 2 0 269.392 2.994 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccc1C ZINC000422791681 533768948 /nfs/dbraw/zinc/76/89/48/533768948.db2.gz WLFJFYQKZQNGKP-HOTGVXAUSA-N 2 0 276.424 2.796 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423294867 533771116 /nfs/dbraw/zinc/77/11/16/533771116.db2.gz CZJQJCPLGFXGMD-IUCAKERBSA-N 2 0 276.302 2.673 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414875554 533772341 /nfs/dbraw/zinc/77/23/41/533772341.db2.gz JVZMRFVRFHTGHH-VIFPVBQESA-N 2 0 267.423 2.556 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000423302849 533771699 /nfs/dbraw/zinc/77/16/99/533771699.db2.gz WCQLPZAIXMMHIW-IUCAKERBSA-N 2 0 289.192 2.834 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1F ZINC000414837078 533787251 /nfs/dbraw/zinc/78/72/51/533787251.db2.gz UBZBDVXMPWXEAL-UONOGXRCSA-N 2 0 294.414 2.602 20 0 CFADRP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414844795 533788233 /nfs/dbraw/zinc/78/82/33/533788233.db2.gz CVEOXAIMQLXYDZ-IHLSZERJSA-N 2 0 262.372 2.817 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422882107 533798045 /nfs/dbraw/zinc/79/80/45/533798045.db2.gz PAFLYZUBEJYPGV-XWTMOSNGSA-N 3 0 295.515 2.852 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000422704877 533806683 /nfs/dbraw/zinc/80/66/83/533806683.db2.gz QNDMLCUGYYQFDX-IAGOWNOFSA-N 2 0 260.425 2.953 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1C ZINC000414780234 533803049 /nfs/dbraw/zinc/80/30/49/533803049.db2.gz LCPJKJAWMIECCK-IAGOWNOFSA-N 2 0 288.435 2.825 20 0 CFADRP C[C@@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000414778386 533808519 /nfs/dbraw/zinc/80/85/19/533808519.db2.gz PWHNJXBPCWJUKD-QGTPRVQTSA-N 2 0 288.435 2.618 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414832654 533813446 /nfs/dbraw/zinc/81/34/46/533813446.db2.gz FKHWVCUUSDSHAC-GHMZBOCLSA-N 2 0 252.324 2.697 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414684742 533837075 /nfs/dbraw/zinc/83/70/75/533837075.db2.gz WOCGCRNZEPHMRW-ZIAGYGMSSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(c2ccccn2)CCC1 ZINC000423100099 533844956 /nfs/dbraw/zinc/84/49/56/533844956.db2.gz BLPGAZFOBYSHIN-CQSZACIVSA-N 2 0 261.413 2.610 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000423136743 533847118 /nfs/dbraw/zinc/84/71/18/533847118.db2.gz HLCUFZUYPMXJLK-CABCVRRESA-N 2 0 293.430 2.759 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000422788865 533844686 /nfs/dbraw/zinc/84/46/86/533844686.db2.gz NTGSVMOFNBQPPF-CHWSQXEVSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)COc1ccc(F)cc1F ZINC000422765777 533850596 /nfs/dbraw/zinc/85/05/96/533850596.db2.gz REXULBNFDOWVKP-VXGBXAGGSA-N 2 0 286.366 2.839 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422747591 533850877 /nfs/dbraw/zinc/85/08/77/533850877.db2.gz QONPAWNFODJYRA-HZPDHXFCSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000423107873 533851170 /nfs/dbraw/zinc/85/11/70/533851170.db2.gz LKNDEPMQIZQRHN-NEPJUHHUSA-N 2 0 260.385 2.731 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C ZINC000423094072 533857070 /nfs/dbraw/zinc/85/70/70/533857070.db2.gz JFRTYFBUUQTTLJ-XOPOGPEOSA-N 2 0 250.430 2.931 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414805847 533860741 /nfs/dbraw/zinc/86/07/41/533860741.db2.gz YUVLQDYNRMRBLZ-ZWNOBZJWSA-N 2 0 268.788 2.566 20 0 CFADRP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414749177 533863109 /nfs/dbraw/zinc/86/31/09/533863109.db2.gz XSAFPBISZQUYIH-CYBMUJFWSA-N 2 0 296.842 2.952 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422950140 533868370 /nfs/dbraw/zinc/86/83/70/533868370.db2.gz VLFYPEIVWOJTSW-LLVKDONJSA-N 2 0 290.329 2.801 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422747115 533871768 /nfs/dbraw/zinc/87/17/68/533871768.db2.gz XYMXEMNJHJQEIN-SNVBAGLBSA-N 2 0 255.431 2.658 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423044595 533873696 /nfs/dbraw/zinc/87/36/96/533873696.db2.gz BPRQTGIAMFFLBC-FVQBIDKESA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000422701096 533873734 /nfs/dbraw/zinc/87/37/34/533873734.db2.gz BHJOTRQIODFXQY-RHSMWYFYSA-N 2 0 269.392 2.888 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423119378 533869558 /nfs/dbraw/zinc/86/95/58/533869558.db2.gz CFJGZNVFYFUIIY-BMFZPTHFSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423344302 533889583 /nfs/dbraw/zinc/88/95/83/533889583.db2.gz XOUMMYGRSJRVLK-WFASDCNBSA-N 2 0 250.361 2.866 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1C ZINC000415020840 533891128 /nfs/dbraw/zinc/89/11/28/533891128.db2.gz XTZGOAXEEMCAQC-ZDUSSCGKSA-N 2 0 250.386 2.611 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000415032233 533898981 /nfs/dbraw/zinc/89/89/81/533898981.db2.gz HUFBZMIJVLAYJV-UKRRQHHQSA-N 2 0 292.423 2.699 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1C ZINC000414808675 533896233 /nfs/dbraw/zinc/89/62/33/533896233.db2.gz SMSCTKKYZAGDBM-HUUCEWRRSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414874402 533902281 /nfs/dbraw/zinc/90/22/81/533902281.db2.gz AYEBQTHZZQDJBG-CYBMUJFWSA-N 2 0 255.365 2.576 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000414886358 533900338 /nfs/dbraw/zinc/90/03/38/533900338.db2.gz PTQZCHATXMAKCX-GFCCVEGCSA-N 2 0 273.355 2.715 20 0 CFADRP C[C@H](CCN[C@@H](C)C[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422824740 533942554 /nfs/dbraw/zinc/94/25/54/533942554.db2.gz OFTRJRKJJJFOMI-HRCADAONSA-N 2 0 277.456 2.612 20 0 CFADRP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000422869908 533943459 /nfs/dbraw/zinc/94/34/59/533943459.db2.gz BAJUCVABOWFDAS-NYJIRUKSSA-N 2 0 299.462 2.522 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414797965 533949481 /nfs/dbraw/zinc/94/94/81/533949481.db2.gz IRXHFOPVHCWKPI-VKFONMJVSA-N 2 0 274.408 2.816 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903474 533949770 /nfs/dbraw/zinc/94/97/70/533949770.db2.gz MBVWTAOFGWZYPR-ZGRWHYIRSA-N 2 0 274.408 2.688 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422745772 533977068 /nfs/dbraw/zinc/97/70/68/533977068.db2.gz MVAZBTQWGMDBKP-OCCSQVGLSA-N 2 0 258.365 2.958 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414702682 533981310 /nfs/dbraw/zinc/98/13/10/533981310.db2.gz IGNKRWHJYMXZNM-ZIAGYGMSSA-N 2 0 276.424 2.908 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000425361920 533986550 /nfs/dbraw/zinc/98/65/50/533986550.db2.gz SVHAJMCHGWEKPQ-JKSUJKDBSA-N 2 0 278.465 2.992 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425363990 533999911 /nfs/dbraw/zinc/99/99/11/533999911.db2.gz YGKRYOIXZCDTMD-LXTVHRRPSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)cc(F)c1 ZINC000423492028 534012063 /nfs/dbraw/zinc/01/20/63/534012063.db2.gz LEWCQNXHDDDYGL-BHDSKKPTSA-N 2 0 254.324 2.743 20 0 CFADRP COc1ccccc1CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422755949 534046662 /nfs/dbraw/zinc/04/66/62/534046662.db2.gz IHLCNOYMAMWADS-CRAIPNDOSA-N 2 0 298.430 2.786 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422765747 534067018 /nfs/dbraw/zinc/06/70/18/534067018.db2.gz LBNUOPKNHUKCSB-CJNGLKHVSA-N 2 0 276.399 2.835 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422781684 534068433 /nfs/dbraw/zinc/06/84/33/534068433.db2.gz MHWPEEQYPRLDHI-CJNGLKHVSA-N 2 0 280.387 2.572 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000422773703 534071153 /nfs/dbraw/zinc/07/11/53/534071153.db2.gz UQNKCALOYXNAHO-UKRRQHHQSA-N 2 0 264.438 2.756 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422713542 534071890 /nfs/dbraw/zinc/07/18/90/534071890.db2.gz PQXKHRCMEDZXQY-SJLPKXTDSA-N 2 0 290.451 2.614 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000422794588 534072723 /nfs/dbraw/zinc/07/27/23/534072723.db2.gz UMCGLOSIXUWIFL-CWVYHPPDSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422876944 534074694 /nfs/dbraw/zinc/07/46/94/534074694.db2.gz GVNBOALRKMAESP-QMTHXVAHSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000414920930 534078793 /nfs/dbraw/zinc/07/87/93/534078793.db2.gz ZMGUVCVOGUSZCR-SWLSCSKDSA-N 2 0 250.361 2.661 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000422760821 534122595 /nfs/dbraw/zinc/12/25/95/534122595.db2.gz LIYMWDGPRPYWJG-BKQLOGFTSA-N 2 0 264.438 2.860 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781483 534157188 /nfs/dbraw/zinc/15/71/88/534157188.db2.gz MZDKVRKADQXAAY-HUUCEWRRSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000414896162 534175836 /nfs/dbraw/zinc/17/58/36/534175836.db2.gz AWEPQYZNCTYVJU-AWEZNQCLSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415047294 534204609 /nfs/dbraw/zinc/20/46/09/534204609.db2.gz VPGLXUXKPWYLNZ-CJNGLKHVSA-N 2 0 284.407 2.602 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882700 534230358 /nfs/dbraw/zinc/23/03/58/534230358.db2.gz CEWBVDKSORKRHV-IINYFYTJSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902599 534232128 /nfs/dbraw/zinc/23/21/28/534232128.db2.gz KXMAUEHCYISKPS-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423200391 534258238 /nfs/dbraw/zinc/25/82/38/534258238.db2.gz MDCTWHMXRHCTNU-ZDUSSCGKSA-N 2 0 250.386 2.852 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000423215604 534338629 /nfs/dbraw/zinc/33/86/29/534338629.db2.gz NEUVBFITWQRCTQ-WOPDTQHZSA-N 2 0 296.436 2.573 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000051790062 518372039 /nfs/dbraw/zinc/37/20/39/518372039.db2.gz GQUFSRWGODLPJU-RRGWEWPQSA-N 2 0 256.393 2.774 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000372898545 518386703 /nfs/dbraw/zinc/38/67/03/518386703.db2.gz VQZMTHXHOUBQPA-JKSUJKDBSA-N 2 0 266.429 2.506 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000423142389 534350313 /nfs/dbraw/zinc/35/03/13/534350313.db2.gz AIIBSZNRRGQSRC-CYBMUJFWSA-N 2 0 291.439 2.706 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414919438 534405363 /nfs/dbraw/zinc/40/53/63/534405363.db2.gz UYNQYIJQQFBNAA-LBPRGKRZSA-N 2 0 288.313 2.817 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414835820 534420432 /nfs/dbraw/zinc/42/04/32/534420432.db2.gz RVZBOPZSWWDFDX-LBPRGKRZSA-N 2 0 272.314 2.795 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000170670510 519417496 /nfs/dbraw/zinc/41/74/96/519417496.db2.gz BDZDOXIRDZODLM-GOSISDBHSA-N 2 0 295.515 2.986 20 0 CFADRP FCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCOCC1 ZINC000423146631 534428304 /nfs/dbraw/zinc/42/83/04/534428304.db2.gz AZXOUUPTVWJMRL-BZUAXINKSA-N 2 0 298.446 2.653 20 0 CFADRP CC(C)CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363795030 519664129 /nfs/dbraw/zinc/66/41/29/519664129.db2.gz XOXAXIFRKGFYAZ-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414863900 534443485 /nfs/dbraw/zinc/44/34/85/534443485.db2.gz YLGOWTZEQRDNBS-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093453013 519668800 /nfs/dbraw/zinc/66/88/00/519668800.db2.gz NOOBIOBCIYACIJ-XHSDSOJGSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](C)c2nccs2)CC1 ZINC000230694728 519672573 /nfs/dbraw/zinc/67/25/73/519672573.db2.gz VFLUWTHAJSTSFU-LBPRGKRZSA-N 2 0 267.442 2.709 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](CO)c3ccccc32)CC1 ZINC000364951336 519673855 /nfs/dbraw/zinc/67/38/55/519673855.db2.gz GAFSYJOZOBALSD-KDOFPFPSSA-N 2 0 288.435 2.670 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC000367994460 519681093 /nfs/dbraw/zinc/68/10/93/519681093.db2.gz SAGCHAOMEHACPK-GOSISDBHSA-N 2 0 293.499 2.525 20 0 CFADRP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc(F)c1F ZINC000414849863 534440368 /nfs/dbraw/zinc/44/03/68/534440368.db2.gz MIRWQLVUBYZMBE-SNVBAGLBSA-N 2 0 272.314 2.583 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000312888682 519747661 /nfs/dbraw/zinc/74/76/61/519747661.db2.gz HVWBMRYIALDZGI-CHWSQXEVSA-N 2 0 277.412 2.813 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663834 519748255 /nfs/dbraw/zinc/74/82/55/519748255.db2.gz IYBQYACZOZSOOM-ZDUSSCGKSA-N 2 0 277.412 2.637 20 0 CFADRP CC(C)OC1CC([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000361640425 519753209 /nfs/dbraw/zinc/75/32/09/519753209.db2.gz UQJKBAILUHGXIZ-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)C2CCOCC2)CC1 ZINC000360241380 519846848 /nfs/dbraw/zinc/84/68/48/519846848.db2.gz ZZUNUYDWFQEUKB-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP c1[nH]c2ccccc2c1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422891018 534461348 /nfs/dbraw/zinc/46/13/48/534461348.db2.gz UJRNEOXNVDBKDD-XYPWUTKMSA-N 2 0 283.419 2.973 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000341494844 520005434 /nfs/dbraw/zinc/00/54/34/520005434.db2.gz YJKHIGHCFAJLQC-OAHLLOKOSA-N 2 0 292.471 2.717 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414847824 534465633 /nfs/dbraw/zinc/46/56/33/534465633.db2.gz JTMRUECIAYLOLL-ZDUSSCGKSA-N 2 0 287.382 2.853 20 0 CFADRP c1cc(-c2n[nH]cc2C[NH2+]CCC[C@H]2CCC[NH2+]2)cs1 ZINC000414965123 534467874 /nfs/dbraw/zinc/46/78/74/534467874.db2.gz NBUXYXMVONMWBF-AWEZNQCLSA-N 2 0 290.436 2.760 20 0 CFADRP CCOC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000233772649 520149638 /nfs/dbraw/zinc/14/96/38/520149638.db2.gz YQACZEOKAZQARN-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000361067330 520259456 /nfs/dbraw/zinc/25/94/56/520259456.db2.gz IFODKDOYOIOSDK-QAPCUYQASA-N 3 0 289.467 2.568 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCC1CCCCC1 ZINC000361593118 520502701 /nfs/dbraw/zinc/50/27/01/520502701.db2.gz GLCKKQUQOLCPPZ-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP c1ccc([C@H](C[NH+]2CCCC2)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422799912 534499403 /nfs/dbraw/zinc/49/94/03/534499403.db2.gz AIGSUAJURGAYNA-SWDXFRIISA-N 2 0 299.462 2.696 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C12CCC2 ZINC000224589903 520548365 /nfs/dbraw/zinc/54/83/65/520548365.db2.gz GPDNHLIKDWRKMT-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)C12CCC2 ZINC000087708785 520548603 /nfs/dbraw/zinc/54/86/03/520548603.db2.gz OPKRKITVTABHTB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCS2 ZINC000423250977 534502841 /nfs/dbraw/zinc/50/28/41/534502841.db2.gz RHOYCQMSXXNTDW-RISCZKNCSA-N 2 0 280.412 2.952 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000191476868 520607508 /nfs/dbraw/zinc/60/75/08/520607508.db2.gz LTGSVXIUIIGMLS-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCS2 ZINC000423250980 534504464 /nfs/dbraw/zinc/50/44/64/534504464.db2.gz RHOYCQMSXXNTDW-SMDDNHRTSA-N 2 0 280.412 2.952 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC000230937800 520631355 /nfs/dbraw/zinc/63/13/55/520631355.db2.gz XTDQMEMRSKLCGC-CYBMUJFWSA-N 2 0 267.392 2.821 20 0 CFADRP CCC[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000053345066 520666921 /nfs/dbraw/zinc/66/69/21/520666921.db2.gz VDZCGZGXJXLUFS-QGZVFWFLSA-N 2 0 289.467 2.582 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000076000806 520739232 /nfs/dbraw/zinc/73/92/32/520739232.db2.gz UZNBGCZBABGJQY-QGZVFWFLSA-N 2 0 292.471 2.717 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414855642 534521648 /nfs/dbraw/zinc/52/16/48/534521648.db2.gz XAPOXMDKIVYLTI-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP c1csc([C@@H]([NH2+]CC2C[NH2+]C2)C2CCCC2)c1 ZINC000423299775 534524557 /nfs/dbraw/zinc/52/45/57/534524557.db2.gz CJNVWJAARZYUKN-AWEZNQCLSA-N 2 0 250.411 2.788 20 0 CFADRP CC(C)(C)C1CC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000459438007 534551736 /nfs/dbraw/zinc/55/17/36/534551736.db2.gz RZEVIHZBDDBNSZ-HPUBIQBYSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415121471 534554054 /nfs/dbraw/zinc/55/40/54/534554054.db2.gz HNDZSPNOQOQSTI-ZBFHGGJFSA-N 2 0 298.434 2.802 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000422914561 534560353 /nfs/dbraw/zinc/56/03/53/534560353.db2.gz UTBYDVHHUFBXRJ-JCYILVPMSA-N 2 0 258.409 2.867 20 0 CFADRP CCC(CC)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000053345069 521596718 /nfs/dbraw/zinc/59/67/18/521596718.db2.gz PCIDESMHIZIBHK-UHFFFAOYSA-N 2 0 289.467 2.582 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000230508885 521622334 /nfs/dbraw/zinc/62/23/34/521622334.db2.gz ICPIGODKIRIPRT-CWRNSKLLSA-N 2 0 270.461 2.684 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000361888545 521643054 /nfs/dbraw/zinc/64/30/54/521643054.db2.gz KUROVRHUEBSOHT-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCCF)CC1 ZINC000361046522 521699799 /nfs/dbraw/zinc/69/97/99/521699799.db2.gz YEZQZLDMBMYAFW-UHFFFAOYSA-N 2 0 293.430 2.668 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCC2)C[C@H]1C ZINC000361563510 521713450 /nfs/dbraw/zinc/71/34/50/521713450.db2.gz GJUGQXFSNFUXIQ-HUUCEWRRSA-N 2 0 268.445 2.750 20 0 CFADRP COc1c(C)cc(C[N@H+](C)CC(C)(C)C[NH3+])cc1C ZINC000258741862 521793655 /nfs/dbraw/zinc/79/36/55/521793655.db2.gz LDBXYCMEWXTHQN-UHFFFAOYSA-N 2 0 264.413 2.729 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000339407034 521985768 /nfs/dbraw/zinc/98/57/68/521985768.db2.gz JQEZQYPMPILMRD-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000423332902 534605182 /nfs/dbraw/zinc/60/51/82/534605182.db2.gz RKLFXXLKJKPJRF-INIZCTEOSA-N 2 0 273.355 2.639 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423316500 534606992 /nfs/dbraw/zinc/60/69/92/534606992.db2.gz BSSLLRGLMHICJN-CVEARBPZSA-N 2 0 296.842 2.759 20 0 CFADRP [NH3+]CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000423188659 534615775 /nfs/dbraw/zinc/61/57/75/534615775.db2.gz MBHVGVXAWYUBHI-ZDUSSCGKSA-N 2 0 283.213 2.839 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000234742517 522288581 /nfs/dbraw/zinc/28/85/81/522288581.db2.gz YAVGRCATEPAXMM-KBXCAEBGSA-N 2 0 290.451 2.970 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000195138645 522357863 /nfs/dbraw/zinc/35/78/63/522357863.db2.gz RNPDVRYVUGBMIB-QZTJIDSGSA-N 2 0 290.451 2.769 20 0 CFADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000162946440 522361026 /nfs/dbraw/zinc/36/10/26/522361026.db2.gz QNHNCXCWWYQWEQ-GOSISDBHSA-N 2 0 288.435 2.797 20 0 CFADRP COc1cc(Cl)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334996640 522551074 /nfs/dbraw/zinc/55/10/74/522551074.db2.gz QJEQWUGPLWUEQP-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP Clc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422951317 534646086 /nfs/dbraw/zinc/64/60/86/534646086.db2.gz YBTZQKGHUVAWAU-PBWFPOADSA-N 2 0 280.799 2.591 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000234702824 522669108 /nfs/dbraw/zinc/66/91/08/522669108.db2.gz RPPWOMPSXHWSPI-JSGCOSHPSA-N 2 0 298.427 2.706 20 0 CFADRP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CC1C[NH2+]C1 ZINC000423299519 534654643 /nfs/dbraw/zinc/65/46/43/534654643.db2.gz CAIUJECFTCHCAZ-ZFWWWQNUSA-N 2 0 264.800 2.785 20 0 CFADRP C[N@H+](CCCCC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000311431023 522728471 /nfs/dbraw/zinc/72/84/71/522728471.db2.gz PVHOQKYFQCYEHN-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@H+](CCCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000339408720 522739190 /nfs/dbraw/zinc/73/91/90/522739190.db2.gz UYTIXDLPJDJMLE-UHFFFAOYSA-N 2 0 262.397 2.529 20 0 CFADRP CC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000305066824 522809950 /nfs/dbraw/zinc/80/99/50/522809950.db2.gz JERWMDKPBHNTBS-RDJZCZTQSA-N 2 0 282.472 2.734 20 0 CFADRP COCCCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000234619728 523133049 /nfs/dbraw/zinc/13/30/49/523133049.db2.gz ZMCGLRNQYCCMPM-LSDHHAIUSA-N 2 0 256.434 2.704 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000422762228 534715748 /nfs/dbraw/zinc/71/57/48/534715748.db2.gz SDTOORSCERSWQW-ZIAGYGMSSA-N 2 0 250.411 2.638 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000300457627 523792976 /nfs/dbraw/zinc/79/29/76/523792976.db2.gz MNXRASUDZHYSNW-TVFCKZIOSA-N 2 0 294.483 2.876 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300457632 523793680 /nfs/dbraw/zinc/79/36/80/523793680.db2.gz MWEGEWRTVVDTJK-BRSBDYLESA-N 2 0 294.483 2.876 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000300457626 523794458 /nfs/dbraw/zinc/79/44/58/523794458.db2.gz MNXRASUDZHYSNW-BRSBDYLESA-N 2 0 294.483 2.876 20 0 CFADRP COCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158892013 523812344 /nfs/dbraw/zinc/81/23/44/523812344.db2.gz WOFAZDZIKXQMEE-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192354748 523848844 /nfs/dbraw/zinc/84/88/44/523848844.db2.gz CKCUPFWWWIWQAV-XJKSGUPXSA-N 2 0 274.408 2.844 20 0 CFADRP CC[C@H](C)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161915034 523879504 /nfs/dbraw/zinc/87/95/04/523879504.db2.gz JVNIAZMUTNTGIX-INIZCTEOSA-N 2 0 282.472 2.857 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000361923359 523889813 /nfs/dbraw/zinc/88/98/13/523889813.db2.gz DEDBRDCMEABZDD-HUUCEWRRSA-N 2 0 270.461 2.758 20 0 CFADRP CN1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc21 ZINC000364851601 524021824 /nfs/dbraw/zinc/02/18/24/524021824.db2.gz FGNWKIQOZCPDPT-SZMVWBNQSA-N 2 0 299.462 2.512 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000086595852 524027828 /nfs/dbraw/zinc/02/78/28/524027828.db2.gz ROJWLMGVHAMEKA-LBPRGKRZSA-N 2 0 282.815 2.909 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000360242101 524048306 /nfs/dbraw/zinc/04/83/06/524048306.db2.gz NDQCWLFTFXSFSW-MSOLQXFVSA-N 2 0 290.451 2.746 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338240495 524051129 /nfs/dbraw/zinc/05/11/29/524051129.db2.gz XYHUQTDCSSUPPN-QGZVFWFLSA-N 2 0 298.471 2.583 20 0 CFADRP COc1cccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000310867826 524093177 /nfs/dbraw/zinc/09/31/77/524093177.db2.gz LNXBXDSXWMIUSK-CHWSQXEVSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157250020 524106121 /nfs/dbraw/zinc/10/61/21/524106121.db2.gz CTNMLKFTOGHUQA-FHLIZLRMSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000151513239 524131147 /nfs/dbraw/zinc/13/11/47/524131147.db2.gz XGKBWLCXMGSJFG-IRXDYDNUSA-N 2 0 296.499 2.981 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000340712689 524133051 /nfs/dbraw/zinc/13/30/51/524133051.db2.gz QPEJDCWCNDTTQH-CRAIPNDOSA-N 2 0 290.451 2.805 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCn1cnc2ccccc21 ZINC000312735142 524137130 /nfs/dbraw/zinc/13/71/30/524137130.db2.gz TYBVZFUBBUSQMU-CQSZACIVSA-N 2 0 274.412 2.534 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049553880 524137602 /nfs/dbraw/zinc/13/76/02/524137602.db2.gz UYBMGLYIKQUMBL-UONOGXRCSA-N 2 0 264.413 2.556 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309983801 524137586 /nfs/dbraw/zinc/13/75/86/524137586.db2.gz WHPFXKIYQPUOLH-SJLPKXTDSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553214 524235390 /nfs/dbraw/zinc/23/53/90/524235390.db2.gz XWWPZYKRZNSFAR-KGLIPLIRSA-N 2 0 292.423 2.666 20 0 CFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000310007036 524301570 /nfs/dbraw/zinc/30/15/70/524301570.db2.gz IFFDQCQIDQEPMN-JKSUJKDBSA-N 2 0 277.456 2.614 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)c21 ZINC000422710891 534776756 /nfs/dbraw/zinc/77/67/56/534776756.db2.gz GJWWEHYYRLTCNS-CJNGLKHVSA-N 2 0 285.435 2.997 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335036989 524366329 /nfs/dbraw/zinc/36/63/29/524366329.db2.gz YSGASFRNIOQVJI-QWJKERNSSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)c21 ZINC000422710890 534777955 /nfs/dbraw/zinc/77/79/55/534777955.db2.gz GJWWEHYYRLTCNS-BBRMVZONSA-N 2 0 285.435 2.997 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193606783 524371469 /nfs/dbraw/zinc/37/14/69/524371469.db2.gz HBCNUOLSUJEQLB-FPCVCCKLSA-N 2 0 250.430 2.696 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353434946 524437127 /nfs/dbraw/zinc/43/71/27/524437127.db2.gz KDCWNHGSKHOMFM-BRWVUGGUSA-N 2 0 258.409 2.957 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158711922 524473446 /nfs/dbraw/zinc/47/34/46/524473446.db2.gz OZMJYXHPKSDWAU-SJORKVTESA-N 2 0 258.409 2.911 20 0 CFADRP Cc1csc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCCC2)n1 ZINC000420319824 534794518 /nfs/dbraw/zinc/79/45/18/534794518.db2.gz PPLZRLWBNCIEIR-CYBMUJFWSA-N 2 0 279.453 2.810 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000360623734 524548825 /nfs/dbraw/zinc/54/88/25/524548825.db2.gz AZIVOPPMZYXREV-AWEZNQCLSA-N 2 0 298.434 2.736 20 0 CFADRP Cc1csc(C2([NH2+][C@@H](C)CCC[NH3+])CCC2)n1 ZINC000422934986 534797115 /nfs/dbraw/zinc/79/71/15/534797115.db2.gz GXWGISPGVYOWDM-JTQLQIEISA-N 2 0 253.415 2.548 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172191012 524659431 /nfs/dbraw/zinc/65/94/31/524659431.db2.gz DXBUMYYWUBFELB-KSZLIROESA-N 2 0 291.483 2.586 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc2cccnc12 ZINC000336235394 524706755 /nfs/dbraw/zinc/70/67/55/524706755.db2.gz HLJVDSFICJPTOR-CJNGLKHVSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422911102 534803324 /nfs/dbraw/zinc/80/33/24/534803324.db2.gz SEQIGUDHYDBRTJ-KGLIPLIRSA-N 2 0 281.469 2.881 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c2ccccc2n1 ZINC000193616060 524715881 /nfs/dbraw/zinc/71/58/81/524715881.db2.gz DQFUHJXACFRYIJ-IYBDPMFKSA-N 2 0 281.403 2.537 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000310905898 524725771 /nfs/dbraw/zinc/72/57/71/524725771.db2.gz PVYJJTATEWLMGJ-QWHCGFSZSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1cccc(F)c1 ZINC000192906632 524735866 /nfs/dbraw/zinc/73/58/66/524735866.db2.gz BXJZSDXZBYDYPM-WWTUQBGBSA-N 2 0 292.398 2.808 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])sc1Br ZINC000220544599 524764364 /nfs/dbraw/zinc/76/43/64/524764364.db2.gz YYSARKWFZQZBQP-QMMMGPOBSA-N 2 0 277.231 2.646 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1Br ZINC000220515385 524764662 /nfs/dbraw/zinc/76/46/62/524764662.db2.gz GQQOGMHTFCADIT-JTQLQIEISA-N 2 0 271.202 2.584 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414845817 534807869 /nfs/dbraw/zinc/80/78/69/534807869.db2.gz GFFSOXZQAMDDML-HNNXBMFYSA-N 2 0 292.471 2.734 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414855398 534808247 /nfs/dbraw/zinc/80/82/47/534808247.db2.gz NCQILQOTIHESNL-WFASDCNBSA-N 2 0 292.471 2.733 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000168618903 524847576 /nfs/dbraw/zinc/84/75/76/524847576.db2.gz JPGNGDCFICMTPL-CMPLNLGQSA-N 2 0 288.313 2.754 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000311320582 524859605 /nfs/dbraw/zinc/85/96/05/524859605.db2.gz AEOCDDLQNZKDLL-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261543496 524884977 /nfs/dbraw/zinc/88/49/77/524884977.db2.gz TUMYAZHODDIPCB-VXGBXAGGSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)c21 ZINC000361113975 524921948 /nfs/dbraw/zinc/92/19/48/524921948.db2.gz POJBUAKEHIRFSA-GDBMZVCRSA-N 2 0 285.435 2.949 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C1CCC([NH3+])CC1 ZINC000157490325 524923667 /nfs/dbraw/zinc/92/36/67/524923667.db2.gz GEPFIVRTSOABAG-XGNXJENSSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000168674252 525023275 /nfs/dbraw/zinc/02/32/75/525023275.db2.gz PEEYDIVBQOGUAX-YPMHNXCESA-N 2 0 273.355 2.543 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1F ZINC000311144872 525162348 /nfs/dbraw/zinc/16/23/48/525162348.db2.gz LXFVNZLBPQCBSN-GHMZBOCLSA-N 2 0 254.349 2.612 20 0 CFADRP C[C@]1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000340714331 525243672 /nfs/dbraw/zinc/24/36/72/525243672.db2.gz VVNUJFOGBWZPEH-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000366673707 525268487 /nfs/dbraw/zinc/26/84/87/525268487.db2.gz YDZUJVDAKMHWNV-HLLBOEOZSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc2[nH+]1 ZINC000316716328 525277325 /nfs/dbraw/zinc/27/73/25/525277325.db2.gz DUWOLYQHQOMLJN-GJZGRUSLSA-N 2 0 297.402 2.818 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000051694358 525291053 /nfs/dbraw/zinc/29/10/53/525291053.db2.gz YXRNITSWGUCRFX-QGLTVNCISA-N 2 0 260.381 2.542 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(C)o2)CC[NH+](C)CC1 ZINC000353217937 525333328 /nfs/dbraw/zinc/33/33/28/525333328.db2.gz ZSXIAWDZTRULOV-UHFFFAOYSA-N 2 0 268.426 2.505 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049553158 525334019 /nfs/dbraw/zinc/33/40/19/525334019.db2.gz IIQDJGLABUUPIS-OLZOCXBDSA-N 2 0 250.386 2.686 20 0 CFADRP C[C@H]([NH2+]CCCF)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309696784 525335734 /nfs/dbraw/zinc/33/57/34/525335734.db2.gz DPSIDWAIKOTDCV-GOEBONIOSA-N 2 0 264.388 2.846 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC[NH+](C)CC1 ZINC000353609149 525337971 /nfs/dbraw/zinc/33/79/71/525337971.db2.gz AQZBGMCAXSXZHL-CABCVRRESA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCOC1 ZINC000356830684 525338699 /nfs/dbraw/zinc/33/86/99/525338699.db2.gz ATNIRNURUSHRAU-VVLHAWIVSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000340364988 525357423 /nfs/dbraw/zinc/35/74/23/525357423.db2.gz HEVPOHGSYCUULK-AWEZNQCLSA-N 2 0 276.424 2.793 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309706224 525415564 /nfs/dbraw/zinc/41/55/64/525415564.db2.gz HVJKAMFIDNBJDL-GOEBONIOSA-N 2 0 284.407 2.582 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000335051139 525441406 /nfs/dbraw/zinc/44/14/06/525441406.db2.gz CSELHBVZRUINJM-CZUORRHYSA-N 2 0 273.424 2.617 20 0 CFADRP CSCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000172204521 525503353 /nfs/dbraw/zinc/50/33/53/525503353.db2.gz ALWYPLABTCGBTN-LSDHHAIUSA-N 2 0 270.486 2.936 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195133884 525503692 /nfs/dbraw/zinc/50/36/92/525503692.db2.gz CZIMCVOFHHFOEZ-NVXWUHKLSA-N 2 0 298.434 2.593 20 0 CFADRP CSCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246267730 525504431 /nfs/dbraw/zinc/50/44/31/525504431.db2.gz ALWYPLABTCGBTN-GJZGRUSLSA-N 2 0 270.486 2.936 20 0 CFADRP Cc1cccnc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000366017617 525505561 /nfs/dbraw/zinc/50/55/61/525505561.db2.gz PENWNXDPRKOWNP-MQVJKMGUSA-N 2 0 285.435 2.636 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000366047413 525508159 /nfs/dbraw/zinc/50/81/59/525508159.db2.gz VBJFESDBSMGSKO-CVEARBPZSA-N 2 0 285.435 2.638 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@]1(C)CCCO1 ZINC000340171087 525533023 /nfs/dbraw/zinc/53/30/23/525533023.db2.gz HLJZINLALHRXOQ-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000159843605 525606014 /nfs/dbraw/zinc/60/60/14/525606014.db2.gz DKBLYCYMEDNOPN-WHOFXGATSA-N 2 0 250.361 2.994 20 0 CFADRP CC(=O)c1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000450263873 534888039 /nfs/dbraw/zinc/88/80/39/534888039.db2.gz DEGHCKDSBCJOJX-UHFFFAOYSA-N 2 0 274.408 2.663 20 0 CFADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000163369558 526026283 /nfs/dbraw/zinc/02/62/83/526026283.db2.gz VREJTZQAEJVKLT-HFTRVMKXSA-N 2 0 288.435 2.795 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228410586 526165650 /nfs/dbraw/zinc/16/56/50/526165650.db2.gz YAGQDOXSAZFECL-UHFFFAOYSA-N 2 0 297.240 2.989 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423133338 526274753 /nfs/dbraw/zinc/27/47/53/526274753.db2.gz CWBJVNGSPUMKGS-IRXDYDNUSA-N 2 0 258.409 2.979 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000336400748 526330626 /nfs/dbraw/zinc/33/06/26/526330626.db2.gz CGJDEFGLLMVSJL-CQSZACIVSA-N 2 0 280.362 2.786 20 0 CFADRP Oc1ccc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000336478618 526343156 /nfs/dbraw/zinc/34/31/56/526343156.db2.gz RVQCHXAYBPEQIE-CQSZACIVSA-N 2 0 274.408 2.571 20 0 CFADRP c1[nH]nc2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)ccc12 ZINC000334852187 526395626 /nfs/dbraw/zinc/39/56/26/526395626.db2.gz JVSPVNYIBAPTCY-INIZCTEOSA-N 2 0 284.407 2.527 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000334869645 526423417 /nfs/dbraw/zinc/42/34/17/526423417.db2.gz RESAULFVKSKHEH-UONOGXRCSA-N 2 0 250.411 2.712 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000192920795 526470970 /nfs/dbraw/zinc/47/09/70/526470970.db2.gz CAUJWRAOCXDQHX-INIZCTEOSA-N 2 0 290.476 2.994 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422750916 526683949 /nfs/dbraw/zinc/68/39/49/526683949.db2.gz APNNKEOQODIZHE-GBJTYRQASA-N 2 0 268.445 2.545 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334867990 526716278 /nfs/dbraw/zinc/71/62/78/526716278.db2.gz HNKBCXBIBAHPSC-KBPBESRZSA-N 2 0 279.453 2.724 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000311120064 526753300 /nfs/dbraw/zinc/75/33/00/526753300.db2.gz UFEWLMIPKIRAEB-GXFFZTMASA-N 2 0 267.442 2.943 20 0 CFADRP CC(C)(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422961577 526801032 /nfs/dbraw/zinc/80/10/32/526801032.db2.gz ZHNKAGBLZHSULN-CABCVRRESA-N 2 0 276.424 2.832 20 0 CFADRP Cc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)sc1C ZINC000336712471 526853128 /nfs/dbraw/zinc/85/31/28/526853128.db2.gz OOALNOWADGKYNN-UHFFFAOYSA-N 2 0 267.442 2.534 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423536673 527028270 /nfs/dbraw/zinc/02/82/70/527028270.db2.gz IBXFEUKFRGRBOI-ZDUSSCGKSA-N 2 0 287.407 2.605 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)cc2s1 ZINC000334839797 527140345 /nfs/dbraw/zinc/14/03/45/527140345.db2.gz BDTFPGVZMUSOQQ-GWCFXTLKSA-N 2 0 275.421 2.692 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000309996013 527191621 /nfs/dbraw/zinc/19/16/21/527191621.db2.gz BSSLDXSUWINDEF-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000336423323 527192213 /nfs/dbraw/zinc/19/22/13/527192213.db2.gz HJIZAHSUCLSXFT-LRDDRELGSA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086403551 527351734 /nfs/dbraw/zinc/35/17/34/527351734.db2.gz IUXBOIDFGMFKIT-CHWSQXEVSA-N 2 0 283.213 2.809 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000228471536 527353843 /nfs/dbraw/zinc/35/38/43/527353843.db2.gz BVNNHRCEDDJSIY-BRWVUGGUSA-N 2 0 258.409 2.678 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCOc3ccccc3)C[C@H]21 ZINC000339413675 527360153 /nfs/dbraw/zinc/36/01/53/527360153.db2.gz ZFCOHNXIBNBKFH-CGTJXYLNSA-N 2 0 288.435 2.905 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCCOc3ccccc3)C[C@H]12 ZINC000339406926 527372661 /nfs/dbraw/zinc/37/26/61/527372661.db2.gz HXAULFXVJFOLRU-RYQLBKOJSA-N 2 0 288.435 2.905 20 0 CFADRP C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC[NH+]1CCCC1 ZINC000423137256 527478395 /nfs/dbraw/zinc/47/83/95/527478395.db2.gz QKVPUFDDFRVRDV-KSZLIROESA-N 3 0 293.499 2.763 20 0 CFADRP C(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC1CCCC1 ZINC000422804401 527486287 /nfs/dbraw/zinc/48/62/87/527486287.db2.gz KJOXDBHDOFECSB-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP Nc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000334971429 527517093 /nfs/dbraw/zinc/51/70/93/527517093.db2.gz WGSSNLHCHZIEHO-MAUKXSAKSA-N 2 0 285.435 2.718 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423130916 527629385 /nfs/dbraw/zinc/62/93/85/527629385.db2.gz HBFFCMKEGQABFJ-UIEKQHFFSA-N 2 0 280.456 2.558 20 0 CFADRP FC(F)(F)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1 ZINC000334995994 527682088 /nfs/dbraw/zinc/68/20/88/527682088.db2.gz JOCIZDNEYRJSTM-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP CC(C)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950262 527725798 /nfs/dbraw/zinc/72/57/98/527725798.db2.gz PCLDHWODOUZLEP-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423149029 527741386 /nfs/dbraw/zinc/74/13/86/527741386.db2.gz ADZBMXJSGRWYGP-OVYGPGRDSA-N 2 0 282.472 2.935 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCC2 ZINC000423206950 527833361 /nfs/dbraw/zinc/83/33/61/527833361.db2.gz XIVYWIASSDPZBU-HUUCEWRRSA-N 2 0 280.456 2.975 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919593 527845586 /nfs/dbraw/zinc/84/55/86/527845586.db2.gz KCNDWHCDSKVAHM-QKPAOTATSA-N 2 0 280.456 2.844 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422738869 527845612 /nfs/dbraw/zinc/84/56/12/527845612.db2.gz KEQZBHUTCCZYTQ-OAHLLOKOSA-N 3 0 277.456 2.745 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnccc2N)c1 ZINC000422740536 527845888 /nfs/dbraw/zinc/84/58/88/527845888.db2.gz MXBZWESPUVWWSJ-AWEZNQCLSA-N 2 0 298.434 2.797 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422738868 527847408 /nfs/dbraw/zinc/84/74/08/527847408.db2.gz KEQZBHUTCCZYTQ-HNNXBMFYSA-N 3 0 277.456 2.745 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000423100259 527875563 /nfs/dbraw/zinc/87/55/63/527875563.db2.gz UXQYOPWVKSAKIV-WCVJEAGWSA-N 2 0 296.455 2.619 20 0 CFADRP CC(C)OC1CC([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000428075943 527882575 /nfs/dbraw/zinc/88/25/75/527882575.db2.gz LQNBHISDTMCZEL-UHFFFAOYSA-N 2 0 294.414 2.933 20 0 CFADRP CC(C)OC1CC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000189535302 527884401 /nfs/dbraw/zinc/88/44/01/527884401.db2.gz BONDQSHGAUTGRL-YMAMQOFZSA-N 2 0 270.461 2.898 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1(CC)CC ZINC000422833435 527953412 /nfs/dbraw/zinc/95/34/12/527953412.db2.gz GWCTYONSEQZXFV-ZQDZILKHSA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C[NH2+]Cc2cc(F)cc3cccnc32)CC[NH2+]CC1 ZINC000414913315 527981972 /nfs/dbraw/zinc/98/19/72/527981972.db2.gz WFQACGLBYLXOHW-UHFFFAOYSA-N 2 0 287.382 2.853 20 0 CFADRP CC1(C[NH2+]Cc2coc3ccccc23)CC[NH2+]CC1 ZINC000414896742 527982646 /nfs/dbraw/zinc/98/26/46/527982646.db2.gz CPPIIVWTNLXEKD-UHFFFAOYSA-N 2 0 258.365 2.912 20 0 CFADRP CC(C)COCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422781321 528095589 /nfs/dbraw/zinc/09/55/89/528095589.db2.gz IJOBTEBEXSLIGJ-RDJZCZTQSA-N 2 0 278.440 2.597 20 0 CFADRP CC(C)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422885477 528100878 /nfs/dbraw/zinc/10/08/78/528100878.db2.gz YVPWFCSJXUDRBU-KBRIMQKVSA-N 2 0 276.424 2.652 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422764079 528140758 /nfs/dbraw/zinc/14/07/58/528140758.db2.gz JTSNYSXGXVPVOY-YKUJZXIWSA-N 2 0 280.456 2.699 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423244797 528144654 /nfs/dbraw/zinc/14/46/54/528144654.db2.gz NZXRFKGEPNVGGW-CZUORRHYSA-N 2 0 263.429 2.527 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423243069 528144745 /nfs/dbraw/zinc/14/47/45/528144745.db2.gz MRMLCGZOMNTOQR-WMLDXEAASA-N 2 0 277.456 2.917 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000423250063 528145079 /nfs/dbraw/zinc/14/50/79/528145079.db2.gz ULBYBDVGYPVBBX-JCGIZDLHSA-N 2 0 289.467 2.882 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422858839 528152830 /nfs/dbraw/zinc/15/28/30/528152830.db2.gz IYYXVWRWIWPQBH-HUUCEWRRSA-N 2 0 278.440 2.979 20 0 CFADRP CC(C)COc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414823375 528172120 /nfs/dbraw/zinc/17/21/20/528172120.db2.gz DCUMZJXKXHKUFB-MRXNPFEDSA-N 2 0 276.424 2.811 20 0 CFADRP CC(C)COc1cccc(C[NH2+]CCCC[NH3+])c1 ZINC000414905905 528172753 /nfs/dbraw/zinc/17/27/53/528172753.db2.gz OSCJDUJLSKXBSH-UHFFFAOYSA-N 2 0 250.386 2.550 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422779760 528191355 /nfs/dbraw/zinc/19/13/55/528191355.db2.gz GMVAHBCPOUVQDY-YJBOKZPZSA-N 2 0 289.467 2.616 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000414804648 528195258 /nfs/dbraw/zinc/19/52/58/528195258.db2.gz NUYDTRGWUQDFON-ZDUSSCGKSA-N 2 0 291.439 2.854 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)CC1 ZINC000414229146 528204912 /nfs/dbraw/zinc/20/49/12/528204912.db2.gz ZSHUDICNISQNLO-MSOLQXFVSA-N 2 0 288.435 2.763 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414831839 528224353 /nfs/dbraw/zinc/22/43/53/528224353.db2.gz QAGMFVWWIAKOEG-XYPWUTKMSA-N 2 0 274.408 2.846 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000414800690 528226247 /nfs/dbraw/zinc/22/62/47/528226247.db2.gz SRBYGSASYGGGDR-GOEBONIOSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414858329 528226812 /nfs/dbraw/zinc/22/68/12/528226812.db2.gz RKKUILNPPWXBJJ-GOEBONIOSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415048729 528227136 /nfs/dbraw/zinc/22/71/36/528227136.db2.gz XGVKJQJGIBGYHJ-UKRRQHHQSA-N 2 0 262.397 2.691 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccn1 ZINC000423540620 528237360 /nfs/dbraw/zinc/23/73/60/528237360.db2.gz KBQBGQYBHPPKBM-MPTYRVRUSA-N 2 0 273.424 2.901 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422874114 528244922 /nfs/dbraw/zinc/24/49/22/528244922.db2.gz MYCZITOGKDMLGR-UKRRQHHQSA-N 2 0 262.397 2.611 20 0 CFADRP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000422966908 528246051 /nfs/dbraw/zinc/24/60/51/528246051.db2.gz AVHJXKJAOZFRGU-QXULXFAOSA-N 2 0 291.439 2.535 20 0 CFADRP CCOc1cc(CCC[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000422768659 528257906 /nfs/dbraw/zinc/25/79/06/528257906.db2.gz ZLTCPRZEHHVPPC-UONOGXRCSA-N 2 0 294.439 2.742 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1OC ZINC000414915269 528278422 /nfs/dbraw/zinc/27/84/22/528278422.db2.gz ZNLZPVILCNQFLV-KRWDZBQOSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000414708083 528347028 /nfs/dbraw/zinc/34/70/28/528347028.db2.gz ORDVXKYPMUNJHM-GOSISDBHSA-N 2 0 295.515 2.948 20 0 CFADRP CC(C)c1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000414852485 528351968 /nfs/dbraw/zinc/35/19/68/528351968.db2.gz QBNKHKFQLQMJBA-LBPRGKRZSA-N 2 0 267.442 2.746 20 0 CFADRP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)s1 ZINC000426290274 528421915 /nfs/dbraw/zinc/42/19/15/528421915.db2.gz OOXHPIUHRHDKAM-FRRDWIJNSA-N 2 0 296.484 2.522 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000423103841 528459275 /nfs/dbraw/zinc/45/92/75/528459275.db2.gz LMFWUTVVTOCKGT-QWRGUYRKSA-N 2 0 270.804 2.954 20 0 CFADRP CCN(CCC[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422793637 528459769 /nfs/dbraw/zinc/45/97/69/528459769.db2.gz XFKAKVPFDKHKTE-HUUCEWRRSA-N 2 0 263.429 2.618 20 0 CFADRP CCN(CCC[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422793638 528460286 /nfs/dbraw/zinc/46/02/86/528460286.db2.gz XFKAKVPFDKHKTE-LSDHHAIUSA-N 2 0 263.429 2.618 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414763557 528460577 /nfs/dbraw/zinc/46/05/77/528460577.db2.gz CRXDXHBTMQEASN-HOCLYGCPSA-N 2 0 252.446 2.990 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000414821754 528463749 /nfs/dbraw/zinc/46/37/49/528463749.db2.gz LSGQEVRGPBCQGC-OCCSQVGLSA-N 2 0 280.387 2.702 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000423106700 528464330 /nfs/dbraw/zinc/46/43/30/528464330.db2.gz OTVGGBWVMOIVES-DGCLKSJQSA-N 2 0 282.815 2.826 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414858529 528464392 /nfs/dbraw/zinc/46/43/92/528464392.db2.gz RWWUWCQERKEUBS-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422844261 528466036 /nfs/dbraw/zinc/46/60/36/528466036.db2.gz LISCWKQOBQSZKF-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422737412 528469224 /nfs/dbraw/zinc/46/92/24/528469224.db2.gz IBEPIGKIRDNQBZ-BRWVUGGUSA-N 2 0 281.488 2.748 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422740133 528471374 /nfs/dbraw/zinc/47/13/74/528471374.db2.gz MMMFYRAVSNFKIQ-HOTGVXAUSA-N 2 0 269.477 2.748 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423349829 528490440 /nfs/dbraw/zinc/49/04/40/528490440.db2.gz XSMCPMTUIXATDA-QGZVFWFLSA-N 2 0 276.399 2.902 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414867336 528508752 /nfs/dbraw/zinc/50/87/52/528508752.db2.gz IJIKPTCQFPYMLP-RDJZCZTQSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414856377 528519951 /nfs/dbraw/zinc/51/99/51/528519951.db2.gz YTWWHHPQNTWYNK-BPQIPLTHSA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000414184245 528576242 /nfs/dbraw/zinc/57/62/42/528576242.db2.gz NSFJUODWFRJBQB-CYBMUJFWSA-N 2 0 283.379 2.963 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000414179094 528577667 /nfs/dbraw/zinc/57/76/67/528577667.db2.gz LDOWWJUVYJDFIM-GJZGRUSLSA-N 2 0 278.444 2.847 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C)cc1OCC ZINC000423198515 528594869 /nfs/dbraw/zinc/59/48/69/528594869.db2.gz GHGWMTTXUQJCDQ-CYBMUJFWSA-N 2 0 280.412 2.744 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422697916 528597720 /nfs/dbraw/zinc/59/77/20/528597720.db2.gz WUGWITIDIGAPJV-ZIAGYGMSSA-N 2 0 264.413 2.829 20 0 CFADRP CCOc1ccc([C@@H](CC)[NH2+]CCC[NH3+])cc1OCC ZINC000423188926 528598849 /nfs/dbraw/zinc/59/88/49/528598849.db2.gz ZSVZLKWPJHWBBY-CQSZACIVSA-N 2 0 280.412 2.874 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422931905 528631880 /nfs/dbraw/zinc/63/18/80/528631880.db2.gz YKFQIYBODRTNJG-MELADBBJSA-N 2 0 256.434 2.545 20 0 CFADRP CCOCCC1(C[NH2+]C[C@H]([NH3+])CC(C)C)CCCC1 ZINC000415089923 528634237 /nfs/dbraw/zinc/63/42/37/528634237.db2.gz OBXWNMCCBOTDIE-OAHLLOKOSA-N 2 0 270.461 2.936 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCC1 ZINC000422940518 528635505 /nfs/dbraw/zinc/63/55/05/528635505.db2.gz NKEGGIACWHIZJJ-HUUCEWRRSA-N 2 0 268.445 2.561 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(C)C ZINC000423337654 528637371 /nfs/dbraw/zinc/63/73/71/528637371.db2.gz KKCVUGVPXPULGH-INMHGKMJSA-N 2 0 282.472 2.950 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415005573 528653772 /nfs/dbraw/zinc/65/37/72/528653772.db2.gz ZMFWLJHGUGTWRK-UKRRQHHQSA-N 2 0 262.397 2.692 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422901261 528670443 /nfs/dbraw/zinc/67/04/43/528670443.db2.gz RTYZLLAILJHFNN-DLBZAZTESA-N 2 0 276.424 2.877 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000414792231 528670645 /nfs/dbraw/zinc/67/06/45/528670645.db2.gz BYMUHBRVLGQPLH-YPMHNXCESA-N 2 0 267.442 2.559 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1OCC ZINC000414888234 528689420 /nfs/dbraw/zinc/68/94/20/528689420.db2.gz RBESRCISTBKUDQ-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP CCCCOc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000423181340 528690377 /nfs/dbraw/zinc/69/03/77/528690377.db2.gz OXCMRSRYSUUGIZ-ZDUSSCGKSA-N 2 0 280.412 2.874 20 0 CFADRP CCCOc1cccc(C[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000414904645 528757877 /nfs/dbraw/zinc/75/78/77/528757877.db2.gz NQQDDWPQXJRBKF-UHFFFAOYSA-N 2 0 276.424 2.955 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000414802852 528779922 /nfs/dbraw/zinc/77/99/22/528779922.db2.gz NFVFJFWHHUEIRG-FPCVCCKLSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423157545 528780021 /nfs/dbraw/zinc/78/00/21/528780021.db2.gz VOTXQPMFWDHKOO-SFFUCWETSA-N 2 0 294.483 2.948 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860148 528832293 /nfs/dbraw/zinc/83/22/93/528832293.db2.gz OJTXJFBYOQDBJG-AWEZNQCLSA-N 2 0 256.434 2.833 20 0 CFADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422869246 528837666 /nfs/dbraw/zinc/83/76/66/528837666.db2.gz WZVXFJXOQZXRBE-GJZGRUSLSA-N 3 0 277.456 2.742 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000423054947 528854131 /nfs/dbraw/zinc/85/41/31/528854131.db2.gz CHNFGKFIXFOJDM-CQSZACIVSA-N 2 0 263.429 2.748 20 0 CFADRP CC(C)[NH+](CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000423003136 528885006 /nfs/dbraw/zinc/88/50/06/528885006.db2.gz HCKSLQKRDWKZLG-HOTGVXAUSA-N 2 0 269.477 2.616 20 0 CFADRP CC(C)[NH+](CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000422768650 528907201 /nfs/dbraw/zinc/90/72/01/528907201.db2.gz ZLISRRXLOAZMHE-FUHWJXTLSA-N 2 0 291.483 2.653 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422749491 528914232 /nfs/dbraw/zinc/91/42/32/528914232.db2.gz ZKWYGTQWWXTUFW-MWDXBVQZSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423170787 528944174 /nfs/dbraw/zinc/94/41/74/528944174.db2.gz YWHLYJGITJOKAS-YESZJQIVSA-N 2 0 293.499 2.761 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414815342 528950862 /nfs/dbraw/zinc/95/08/62/528950862.db2.gz XGHHYZHSINFSAT-CQSZACIVSA-N 2 0 276.424 2.660 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414807193 528951519 /nfs/dbraw/zinc/95/15/19/528951519.db2.gz IRCPFWIVXGJWFL-CVEARBPZSA-N 2 0 275.440 2.587 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000414801688 528952824 /nfs/dbraw/zinc/95/28/24/528952824.db2.gz ALFRCULDVDYFOE-CYBMUJFWSA-N 2 0 294.439 2.742 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000414809380 528955063 /nfs/dbraw/zinc/95/50/63/528955063.db2.gz MIEDQDOITAXWIJ-MRXNPFEDSA-N 2 0 296.430 2.880 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422965836 529013660 /nfs/dbraw/zinc/01/36/60/529013660.db2.gz PVPAXHMFODCCNT-KURKYZTESA-N 2 0 295.515 2.994 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834114 529014331 /nfs/dbraw/zinc/01/43/31/529014331.db2.gz NIBMQGNPDDHLKM-CWRNSKLLSA-N 2 0 261.413 2.551 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CCC[NH3+] ZINC000423181599 529029312 /nfs/dbraw/zinc/02/93/12/529029312.db2.gz GFKQYIGWTVJIKY-AWEZNQCLSA-N 2 0 252.427 2.742 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422838857 529043397 /nfs/dbraw/zinc/04/33/97/529043397.db2.gz YIXRZVFRBICJDH-WMLDXEAASA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423267019 529068343 /nfs/dbraw/zinc/06/83/43/529068343.db2.gz FCAPYTOTZFQYNJ-XHDPSFHLSA-N 2 0 270.367 2.859 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423270614 529071313 /nfs/dbraw/zinc/07/13/13/529071313.db2.gz IEWQQXWVZKGDQM-BZUAXINKSA-N 2 0 276.424 2.805 20 0 CFADRP CCCCn1cc(C[NH2+][C@H](C)CCCC[NH3+])c(C)n1 ZINC000423015831 529086683 /nfs/dbraw/zinc/08/66/83/529086683.db2.gz LIRPSGKJSXLEAL-CYBMUJFWSA-N 2 0 266.433 2.599 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000423554879 529126107 /nfs/dbraw/zinc/12/61/07/529126107.db2.gz XFWBBZXUPSFQNP-SVGFKBNWSA-N 2 0 273.424 2.756 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177295171 529147319 /nfs/dbraw/zinc/14/73/19/529147319.db2.gz XCBVNQMGUWXLJP-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422786878 529162498 /nfs/dbraw/zinc/16/24/98/529162498.db2.gz PFIPPBNENVNAND-CVEARBPZSA-N 2 0 268.445 2.846 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423211698 529175819 /nfs/dbraw/zinc/17/58/19/529175819.db2.gz LERKGSXSGQOSES-UKRRQHHQSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1cc(F)ccc1F ZINC000422916226 529206603 /nfs/dbraw/zinc/20/66/03/529206603.db2.gz CXDLSXSJUMRIPL-IUODEOHRSA-N 2 0 286.366 2.759 20 0 CFADRP CCSc1cccc(C[NH2+][C@@H](CCC[NH3+])COC)c1 ZINC000423127122 529252612 /nfs/dbraw/zinc/25/26/12/529252612.db2.gz JHVVFNYKMBCUNJ-AWEZNQCLSA-N 2 0 282.453 2.642 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422848657 529368029 /nfs/dbraw/zinc/36/80/29/529368029.db2.gz KIEMNGNHICURQA-MBNYWOFBSA-N 2 0 268.376 2.699 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422848740 529368410 /nfs/dbraw/zinc/36/84/10/529368410.db2.gz KIEMNGNHICURQA-SGMGOOAPSA-N 2 0 268.376 2.699 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(F)c1 ZINC000422855493 529369760 /nfs/dbraw/zinc/36/97/60/529369760.db2.gz VPHXJVYEMDGVDA-YSVLISHTSA-N 2 0 294.414 2.961 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1ccccc1C ZINC000422923262 529370654 /nfs/dbraw/zinc/37/06/54/529370654.db2.gz VSJOGAISOHALIL-KFWWJZLASA-N 2 0 262.397 2.622 20 0 CFADRP CC[C@](C)([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1nccs1 ZINC000414714784 529370857 /nfs/dbraw/zinc/37/08/57/529370857.db2.gz VRFAAHMTOUYVES-OBJOEFQTSA-N 2 0 267.442 2.746 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000435386690 534945750 /nfs/dbraw/zinc/94/57/50/534945750.db2.gz VDEPPVGSPGYSDV-IMJJTQAJSA-N 2 0 286.419 2.569 20 0 CFADRP CC(C)(C)OC1CC([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000446884719 534964218 /nfs/dbraw/zinc/96/42/18/534964218.db2.gz QOETUUYKLGEOAV-UHFFFAOYSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000447570710 535065049 /nfs/dbraw/zinc/06/50/49/535065049.db2.gz HMVBAQUWYOTTQH-CQSZACIVSA-N 2 0 290.455 2.989 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268943788 535161127 /nfs/dbraw/zinc/16/11/27/535161127.db2.gz UCLWYTGPIKXADV-CGTJXYLNSA-N 2 0 290.451 2.504 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449192996 535165288 /nfs/dbraw/zinc/16/52/88/535165288.db2.gz SBUHXDOIVDFHMA-AWEZNQCLSA-N 2 0 270.461 2.636 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)CCC)CC1 ZINC000450268099 535216482 /nfs/dbraw/zinc/21/64/82/535216482.db2.gz FJWZKBKTCPUZHO-MRXNPFEDSA-N 2 0 270.461 2.591 20 0 CFADRP CC(C)OCCC[N@H+](C)CCC[NH+]1CCCCC1 ZINC000444591624 535324234 /nfs/dbraw/zinc/32/42/34/535324234.db2.gz HFRFGPXWFOHICJ-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC23CCC(CC2)C3)CC1 ZINC000451978729 535672426 /nfs/dbraw/zinc/67/24/26/535672426.db2.gz FZPSDYDWTUAYCM-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCCC[C@@H]2C)CC1 ZINC000449744837 535672508 /nfs/dbraw/zinc/67/25/08/535672508.db2.gz KDNJVWHJRFTNMP-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000433179869 535905452 /nfs/dbraw/zinc/90/54/52/535905452.db2.gz YWBOLDMZCQPDIE-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP CCc1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000261792196 536192552 /nfs/dbraw/zinc/19/25/52/536192552.db2.gz GFPPJMMMVHEQMO-SFHVURJKSA-N 2 0 288.435 2.622 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000459721812 536383854 /nfs/dbraw/zinc/38/38/54/536383854.db2.gz AYRGWBYBYYUUGJ-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000459773797 536383898 /nfs/dbraw/zinc/38/38/98/536383898.db2.gz IWQFGCNEIAAWSP-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000459726285 536383934 /nfs/dbraw/zinc/38/39/34/536383934.db2.gz BNHKXOIRBNADJC-CQSZACIVSA-N 2 0 290.455 2.596 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1F ZINC000435381773 536518370 /nfs/dbraw/zinc/51/83/70/536518370.db2.gz XZEDRZJJYWOCKE-ZENOOKHLSA-N 2 0 294.414 2.682 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000459658501 536814166 /nfs/dbraw/zinc/81/41/66/536814166.db2.gz KPGZEXATIHWBQD-UHOFOFEASA-N 2 0 285.391 2.628 20 0 CFADRP COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453056819 536894101 /nfs/dbraw/zinc/89/41/01/536894101.db2.gz LPNDCYPJTMECSA-KURKYZTESA-N 2 0 288.435 2.666 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(C)c1 ZINC000540155635 545520334 /nfs/dbraw/zinc/52/03/34/545520334.db2.gz AHDYMZJLHZCACS-CKEIUWERSA-N 2 0 276.424 2.822 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000155179234 574072159 /nfs/dbraw/zinc/07/21/59/574072159.db2.gz VTRPAKUBOGYJCO-JGGQBBKZSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]CC2CCCCCC2)CC1 ZINC000754342236 574089800 /nfs/dbraw/zinc/08/98/00/574089800.db2.gz QKTPYBVUNHVPKK-UHFFFAOYSA-N 2 0 281.488 2.574 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2cccc(OC)c2)CC1 ZINC000158937030 574109092 /nfs/dbraw/zinc/10/90/92/574109092.db2.gz DADCCZZAAZAARI-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000738076422 574157200 /nfs/dbraw/zinc/15/72/00/574157200.db2.gz LKRLSFWZLFMKHX-UHFFFAOYSA-N 2 0 298.434 2.781 20 0 CFADRP CC(C)[NH+](CCNc1nccc(N2CCCC2)n1)C(C)C ZINC000730107089 574253404 /nfs/dbraw/zinc/25/34/04/574253404.db2.gz ZRAFYCHNARJQOM-UHFFFAOYSA-N 2 0 291.443 2.608 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(F)c(C)c2)CC[C@H]1[NH3+] ZINC000251549265 574266211 /nfs/dbraw/zinc/26/62/11/574266211.db2.gz BAOSCIRKQMTMJA-DZGCQCFKSA-N 2 0 250.361 2.693 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(F)c(C)c2)CC[C@H]1[NH3+] ZINC000251549278 574266247 /nfs/dbraw/zinc/26/62/47/574266247.db2.gz BAOSCIRKQMTMJA-UKRRQHHQSA-N 2 0 250.361 2.693 20 0 CFADRP OC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000749515104 574299145 /nfs/dbraw/zinc/29/91/45/574299145.db2.gz KWAGNRDFZVDUJF-DOTOQJQBSA-N 2 0 292.467 2.630 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000396445587 574355084 /nfs/dbraw/zinc/35/50/84/574355084.db2.gz PEXUZCCMNPRCAZ-CQSZACIVSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)(C)C(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000753747825 574409720 /nfs/dbraw/zinc/40/97/20/574409720.db2.gz SRQWGMKTZLBACJ-GDBMZVCRSA-N 2 0 292.467 2.940 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000310282063 618277521 /nfs/dbraw/zinc/27/75/21/618277521.db2.gz HRUIUCZPGUGWGS-ZJUUUORDSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)C[C@@]1(F)Cl ZINC000925706294 618960922 /nfs/dbraw/zinc/96/09/22/618960922.db2.gz CCFBMJOQLDFJKN-GVXVVHGQSA-N 2 0 260.784 2.565 20 0 CFADRP C[C@@H]1CSCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934298813 617990628 /nfs/dbraw/zinc/99/06/28/617990628.db2.gz ONYXZHKJJMXAIX-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245191 618100518 /nfs/dbraw/zinc/10/05/18/618100518.db2.gz YKQOIEWDVCFIET-WDEREUQCSA-N 2 0 288.313 2.927 20 0 CFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245192 618100609 /nfs/dbraw/zinc/10/06/09/618100609.db2.gz YKQOIEWDVCFIET-GHMZBOCLSA-N 2 0 288.313 2.927 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ncc[nH]1 ZINC000285941774 617613612 /nfs/dbraw/zinc/61/36/12/617613612.db2.gz FSNGBWSHYHDXDE-HNNXBMFYSA-N 2 0 298.434 2.973 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000092277842 617632117 /nfs/dbraw/zinc/63/21/17/617632117.db2.gz ZWXVJFLYFQWYLC-HNNXBMFYSA-N 2 0 294.487 2.734 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)Cc2ccccc21 ZINC000891500938 617638128 /nfs/dbraw/zinc/63/81/28/617638128.db2.gz YGNFPELMJLGWEA-AWEZNQCLSA-N 2 0 258.409 2.948 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])C12CCCC2 ZINC000843341688 617646468 /nfs/dbraw/zinc/64/64/68/617646468.db2.gz LKFSFGFPSOXWNP-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000891775926 617746432 /nfs/dbraw/zinc/74/64/32/617746432.db2.gz VKFBHMGAKRKXKY-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000051693573 618049003 /nfs/dbraw/zinc/04/90/03/618049003.db2.gz MIGFKPYWKMXLKT-OIKLOGQESA-N 2 0 254.324 2.885 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846037169 618085239 /nfs/dbraw/zinc/08/52/39/618085239.db2.gz YZMKCKMNDWZEKU-STQMWFEESA-N 2 0 262.800 2.765 20 0 CFADRP CC[C@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000122804702 618104089 /nfs/dbraw/zinc/10/40/89/618104089.db2.gz JNFNVPUPROBCDD-WFASDCNBSA-N 2 0 282.428 2.977 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000261589488 618108520 /nfs/dbraw/zinc/10/85/20/618108520.db2.gz KVQSOJVDEFMWMT-DVOMOZLQSA-N 2 0 262.397 2.734 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](C/C=C\Cl)CC1 ZINC000255567691 618128359 /nfs/dbraw/zinc/12/83/59/618128359.db2.gz OFILLSDTVPGIMO-YWEYNIOJSA-N 2 0 288.863 2.809 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926453731 618130372 /nfs/dbraw/zinc/13/03/72/618130372.db2.gz UOXZHWGNRRHUOL-HZSPNIEDSA-N 2 0 264.413 2.822 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926460276 618136605 /nfs/dbraw/zinc/13/66/05/618136605.db2.gz XTTTXLPKOCZTEC-OAGGEKHMSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)C[NH+](C)C ZINC000926470051 618142950 /nfs/dbraw/zinc/14/29/50/618142950.db2.gz JAMKJPMDYZBMKS-KBPBESRZSA-N 2 0 278.440 2.762 20 0 CFADRP C[C@H](CCCO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926507837 618165055 /nfs/dbraw/zinc/16/50/55/618165055.db2.gz LWHQCKRTTVRCAD-CABCVRRESA-N 2 0 278.440 2.807 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1F ZINC000091844420 618202561 /nfs/dbraw/zinc/20/25/61/618202561.db2.gz ALECCGMTXFKNTL-UHFFFAOYSA-N 2 0 250.361 2.836 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000926557628 618205647 /nfs/dbraw/zinc/20/56/47/618205647.db2.gz DCLSWIPCBIKRHJ-UHFFFAOYSA-N 3 0 295.515 2.961 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC000926559280 618208157 /nfs/dbraw/zinc/20/81/57/618208157.db2.gz MLSKSQAACFKACP-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000926600144 618227166 /nfs/dbraw/zinc/22/71/66/618227166.db2.gz UFJACRMMQCUSDG-NVXWUHKLSA-N 2 0 282.472 2.638 20 0 CFADRP Nc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)c(Cl)c[nH+]1 ZINC000892409893 618231364 /nfs/dbraw/zinc/23/13/64/618231364.db2.gz NACGPUDYASFHJW-LBPRGKRZSA-N 2 0 294.830 2.772 20 0 CFADRP c1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)co1 ZINC000309744977 618234459 /nfs/dbraw/zinc/23/44/59/618234459.db2.gz TYDCQTORIKBAQT-INIZCTEOSA-N 2 0 270.376 2.891 20 0 CFADRP FC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925572285 618253026 /nfs/dbraw/zinc/25/30/26/618253026.db2.gz HYWBQXTULWNLML-NWDGAFQWSA-N 2 0 264.335 2.697 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000893292050 618262849 /nfs/dbraw/zinc/26/28/49/618262849.db2.gz QCJXSIUVHYPMCX-MSOLQXFVSA-N 2 0 288.435 2.696 20 0 CFADRP CO[C@@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1Cl ZINC000925583448 618268854 /nfs/dbraw/zinc/26/88/54/618268854.db2.gz LHGCZSNITBHMBZ-GJZGRUSLSA-N 2 0 294.826 2.902 20 0 CFADRP CO[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1Cl ZINC000925583450 618269127 /nfs/dbraw/zinc/26/91/27/618269127.db2.gz LHGCZSNITBHMBZ-LSDHHAIUSA-N 2 0 294.826 2.902 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925930462 618274449 /nfs/dbraw/zinc/27/44/49/618274449.db2.gz UKTVNPLJIBSQAA-HDMKZQKVSA-N 3 0 289.467 2.739 20 0 CFADRP Cc1ccc(CC[NH2+]CC2=CC[N@H+](C)CC2)cc1C ZINC000893304109 618286583 /nfs/dbraw/zinc/28/65/83/618286583.db2.gz KVSZLUKYOFDMGO-UHFFFAOYSA-N 2 0 258.409 2.697 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)o1 ZINC000925606233 618293113 /nfs/dbraw/zinc/29/31/13/618293113.db2.gz MIKDIFHOSZANFY-OLZOCXBDSA-N 2 0 250.386 2.626 20 0 CFADRP CCc1onc(C)c1CNCCC[NH+]1CCC(C)CC1 ZINC000892460227 618296710 /nfs/dbraw/zinc/29/67/10/618296710.db2.gz PEXHEAUKLGUCTI-UHFFFAOYSA-N 2 0 279.428 2.757 20 0 CFADRP Cc1ccc(C[N@@H+](CC2CC2)CC2CC[NH+](C)CC2)cn1 ZINC000895106544 618301111 /nfs/dbraw/zinc/30/11/11/618301111.db2.gz YCBBFLSPPSVRNW-UHFFFAOYSA-N 2 0 287.451 2.944 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)C12CCC2 ZINC000925609845 618305182 /nfs/dbraw/zinc/30/51/82/618305182.db2.gz WKWQGXXDIVKVDF-SJORKVTESA-N 3 0 293.499 2.892 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)[C@H]2CCCOCC2)CC1 ZINC000895110482 618306476 /nfs/dbraw/zinc/30/64/76/618306476.db2.gz MYSPMURMUOKJDJ-JYJNAYRXSA-N 2 0 289.423 2.727 20 0 CFADRP C[C@@H]1CC[C@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110599 618306670 /nfs/dbraw/zinc/30/66/70/618306670.db2.gz QDVQKDVWAPLXRR-KBUPBQIOSA-N 2 0 259.397 2.956 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1(C)C)OC ZINC000925614598 618314915 /nfs/dbraw/zinc/31/49/15/618314915.db2.gz CYKDJKSRCFNDQO-ZIAGYGMSSA-N 2 0 256.434 2.558 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(F)c2)C[C@@H](C)O1 ZINC000067453017 618323502 /nfs/dbraw/zinc/32/35/02/618323502.db2.gz CNMQJUZJFNZPRR-HUUCEWRRSA-N 2 0 294.414 2.805 20 0 CFADRP Cc1ncc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)s1 ZINC000925618096 618326984 /nfs/dbraw/zinc/32/69/84/618326984.db2.gz SNMABHUPSYJHGF-HOTGVXAUSA-N 2 0 293.480 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(OC)cn1 ZINC000893321455 618341043 /nfs/dbraw/zinc/34/10/43/618341043.db2.gz DJJFYGSXRFLVQN-CQSZACIVSA-N 2 0 279.428 2.690 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(CCO)CCCCC2)C1 ZINC000925622785 618341271 /nfs/dbraw/zinc/34/12/71/618341271.db2.gz MXTAZIGCYCJDJR-LSDHHAIUSA-N 2 0 282.472 2.815 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2(CCO)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925623499 618344269 /nfs/dbraw/zinc/34/42/69/618344269.db2.gz SFGYBJCIDABJKM-PMPSAXMXSA-N 2 0 294.483 2.686 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925624101 618344947 /nfs/dbraw/zinc/34/49/47/618344947.db2.gz VAFGAQVSJOJMKI-HZPDHXFCSA-N 2 0 283.504 2.991 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000894120302 618352192 /nfs/dbraw/zinc/35/21/92/618352192.db2.gz UUIDOJDKRYBHAI-QZTJIDSGSA-N 2 0 290.451 2.676 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925628195 618354481 /nfs/dbraw/zinc/35/44/81/618354481.db2.gz HFCFZQMMQOHSBV-SOUVJXGZSA-N 2 0 268.445 2.700 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925631680 618361352 /nfs/dbraw/zinc/36/13/52/618361352.db2.gz WGJGSWKTXKBGGZ-CZUORRHYSA-N 2 0 276.424 2.604 20 0 CFADRP CC(C)OCCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925632853 618363744 /nfs/dbraw/zinc/36/37/44/618363744.db2.gz BQHVKQLMWCGDPY-IRXDYDNUSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925636514 618370187 /nfs/dbraw/zinc/37/01/87/618370187.db2.gz TTZVPONPDJTRND-IKGGRYGDSA-N 2 0 294.483 2.541 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000925638206 618371807 /nfs/dbraw/zinc/37/18/07/618371807.db2.gz BOMHQBJFPRMIDR-QGZVFWFLSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926667013 618382570 /nfs/dbraw/zinc/38/25/70/618382570.db2.gz XMXBTXNVLUCKMR-KYJSFNMBSA-N 3 0 289.467 2.739 20 0 CFADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894142727 618391250 /nfs/dbraw/zinc/39/12/50/618391250.db2.gz QCOMKFIZRWTJPC-PWSUYJOCSA-N 2 0 264.335 2.601 20 0 CFADRP C[C@@](O)(CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925646777 618392630 /nfs/dbraw/zinc/39/26/30/618392630.db2.gz WCEPDVZKFAGRBX-SOLBZPMBSA-N 2 0 290.451 2.780 20 0 CFADRP C[C@H](CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000925648176 618394600 /nfs/dbraw/zinc/39/46/00/618394600.db2.gz PXHXHXAWYJPXBX-NCOADZHNSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925655502 618410952 /nfs/dbraw/zinc/41/09/52/618410952.db2.gz VOYODYCOEDZUBE-HALDLXJZSA-N 2 0 291.439 2.546 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000925660276 618420545 /nfs/dbraw/zinc/42/05/45/618420545.db2.gz KKJUZGQYLRTFJT-KFWWJZLASA-N 2 0 280.456 2.831 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2COCC2(C)C)C1 ZINC000894180814 618430634 /nfs/dbraw/zinc/43/06/34/618430634.db2.gz QUJUZZCJXAOUSM-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@]1([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@H]1c1ccccc1 ZINC000925678565 618456469 /nfs/dbraw/zinc/45/64/69/618456469.db2.gz VUKIUBJMTWJBNA-CAOSSQGBSA-N 2 0 256.393 2.792 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC1CCOCC1 ZINC000925679166 618458746 /nfs/dbraw/zinc/45/87/46/618458746.db2.gz HVSVHYNAMWZSPR-QZTJIDSGSA-N 2 0 294.483 2.951 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925681411 618461901 /nfs/dbraw/zinc/46/19/01/618461901.db2.gz YYUGWHJDVIJUEL-BPCQOVAHSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CC2(CCCCC2)O1 ZINC000895230369 618485266 /nfs/dbraw/zinc/48/52/66/618485266.db2.gz QXTOOCIKEUINQR-OAHLLOKOSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895290438 618513182 /nfs/dbraw/zinc/51/31/82/618513182.db2.gz IQDKAIHZKUPIOZ-HZPDHXFCSA-N 2 0 278.440 2.912 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895290436 618513230 /nfs/dbraw/zinc/51/32/30/618513230.db2.gz IQDKAIHZKUPIOZ-CVEARBPZSA-N 2 0 278.440 2.912 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895290437 618513591 /nfs/dbraw/zinc/51/35/91/618513591.db2.gz IQDKAIHZKUPIOZ-HOTGVXAUSA-N 2 0 278.440 2.912 20 0 CFADRP C[C@H](CC[NH2+]C/C=C\c1ccc(F)cc1)[NH+](C)C ZINC000895296339 618518342 /nfs/dbraw/zinc/51/83/42/618518342.db2.gz GWDXFPDZICFASK-DSYXLKISSA-N 2 0 250.361 2.769 20 0 CFADRP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000895378139 618556917 /nfs/dbraw/zinc/55/69/17/618556917.db2.gz HKVDATBHXRHFAU-NVXWUHKLSA-N 2 0 275.440 2.942 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1CCC(F)CC1 ZINC000895438303 618586149 /nfs/dbraw/zinc/58/61/49/618586149.db2.gz NOMMBOZXHRUGEQ-LRVUVFPRSA-N 2 0 256.409 2.835 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2COc3ccccc3C2)c2ccccc21 ZINC000262234104 618596068 /nfs/dbraw/zinc/59/60/68/618596068.db2.gz OGTDSODNKKDAQJ-XKQJLSEDSA-N 2 0 280.371 2.725 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926736651 618618794 /nfs/dbraw/zinc/61/87/94/618618794.db2.gz ALINGZIOSGXZGX-SQNIBIBYSA-N 2 0 294.483 2.759 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738825 618619973 /nfs/dbraw/zinc/61/99/73/618619973.db2.gz MROXMTQSDBQTAJ-DOTOQJQBSA-N 2 0 287.451 2.724 20 0 CFADRP COc1cccc(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000042442309 620815689 /nfs/dbraw/zinc/81/56/89/620815689.db2.gz JGMBXFLSCWWKRI-UHFFFAOYSA-N 2 0 250.386 2.646 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000892586011 618643249 /nfs/dbraw/zinc/64/32/49/618643249.db2.gz DOGFYLSUJYGWBF-NXHRZFHOSA-N 2 0 270.420 2.933 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892661877 618681255 /nfs/dbraw/zinc/68/12/55/618681255.db2.gz DGSYWTARSWQSIC-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000892667741 618685855 /nfs/dbraw/zinc/68/58/55/618685855.db2.gz ACVXAMOBLQTZSI-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP COc1ccc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000892674487 618694043 /nfs/dbraw/zinc/69/40/43/618694043.db2.gz VXPZZACDGCIGAB-OLZOCXBDSA-N 2 0 285.391 2.560 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000166011178 618701823 /nfs/dbraw/zinc/70/18/23/618701823.db2.gz IWKKVWIKRWJFQV-JSGCOSHPSA-N 2 0 299.846 2.742 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2c(C)noc2C)CC1 ZINC000166116285 618702486 /nfs/dbraw/zinc/70/24/86/618702486.db2.gz ANQXQNLPEHCOFC-UHFFFAOYSA-N 2 0 279.428 2.688 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2coc(-c3cccs3)n2)CC1 ZINC000892696061 618715729 /nfs/dbraw/zinc/71/57/29/618715729.db2.gz TUBOGGZHTBWDPX-UHFFFAOYSA-N 2 0 291.420 2.835 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2CCC(OC)CC2)C1 ZINC000892743987 618738527 /nfs/dbraw/zinc/73/85/27/618738527.db2.gz YFFJZTTYUBGACH-PCKAHOCUSA-N 2 0 268.445 2.513 20 0 CFADRP COCCCC1(C[NH2+]CCN(C)C(C)C)CCC1 ZINC000892786450 618746594 /nfs/dbraw/zinc/74/65/94/618746594.db2.gz QQNZKZKJUJJTQI-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccc2c(CC[NH2+]CC3CC[NH+](C)CC3)c[nH]c2c1 ZINC000892790987 618747028 /nfs/dbraw/zinc/74/70/28/618747028.db2.gz DAFDZCKIGNVSNI-UHFFFAOYSA-N 2 0 285.435 2.950 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(N)[nH+]cc2Cl)C1 ZINC000892822722 618751631 /nfs/dbraw/zinc/75/16/31/618751631.db2.gz JXYQZUFXLUNWDI-ZJUUUORDSA-N 2 0 268.792 2.602 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1(Cl)CC1 ZINC000924610088 618769788 /nfs/dbraw/zinc/76/97/88/618769788.db2.gz XKXHBFKINPMVHP-GFCCVEGCSA-N 2 0 266.816 2.998 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCCCC(C)C)CC1 ZINC000892928748 618771525 /nfs/dbraw/zinc/77/15/25/618771525.db2.gz OBHDLLCMAUQLBH-KRWDZBQOSA-N 2 0 283.504 2.676 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4c3NCCC4)C2)C1 ZINC000314069500 618775024 /nfs/dbraw/zinc/77/50/24/618775024.db2.gz WPMHFYJWCDKAMC-GOSISDBHSA-N 2 0 285.435 2.572 20 0 CFADRP CCOc1ccc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)o1 ZINC000892943561 618776666 /nfs/dbraw/zinc/77/66/66/618776666.db2.gz HYBIHCDSUUUATF-AWEZNQCLSA-N 2 0 280.412 2.888 20 0 CFADRP C[C@@H](CCc1cccn1C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892954167 618782008 /nfs/dbraw/zinc/78/20/08/618782008.db2.gz TXVPASSVYZGWCV-YTTRVJOFSA-N 2 0 275.440 2.561 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C12CCC2 ZINC000925504290 618831321 /nfs/dbraw/zinc/83/13/21/618831321.db2.gz NSFMXWJNAIDLKX-GJZGRUSLSA-N 2 0 266.429 2.585 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[NH2+]C13CCCC3)C2 ZINC000925510346 618846976 /nfs/dbraw/zinc/84/69/76/618846976.db2.gz VAWWHBKHHXOTRG-SJORKVTESA-N 2 0 270.420 2.808 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCCC3)C2 ZINC000925510344 618847180 /nfs/dbraw/zinc/84/71/80/618847180.db2.gz VAWWHBKHHXOTRG-IAGOWNOFSA-N 2 0 270.420 2.808 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2ccccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510439 618848008 /nfs/dbraw/zinc/84/80/08/618848008.db2.gz WQGTZNKVMFCNAP-KBMXLJTQSA-N 2 0 276.399 2.734 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925513043 618852314 /nfs/dbraw/zinc/85/23/14/618852314.db2.gz HUDCJEQYWWTWNC-HOTGVXAUSA-N 2 0 279.472 2.515 20 0 CFADRP CC[NH+]1CCC(CCN[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925515990 618855614 /nfs/dbraw/zinc/85/56/14/618855614.db2.gz KKHSBBSIXOXSOO-MAUKXSAKSA-N 2 0 289.467 2.787 20 0 CFADRP CC[NH+]1CCC(CCN[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925515998 618855688 /nfs/dbraw/zinc/85/56/88/618855688.db2.gz KKHSBBSIXOXSOO-YJBOKZPZSA-N 2 0 289.467 2.787 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925518239 618856701 /nfs/dbraw/zinc/85/67/01/618856701.db2.gz JBZRXXQZPJIUJM-DLBZAZTESA-N 2 0 282.472 2.807 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1F ZINC000925529532 618881458 /nfs/dbraw/zinc/88/14/58/618881458.db2.gz FHFSFLDCKNUDID-DAXOMENPSA-N 2 0 292.398 2.843 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1F ZINC000925529538 618881462 /nfs/dbraw/zinc/88/14/62/618881462.db2.gz FHFSFLDCKNUDID-UHOFOFEASA-N 2 0 292.398 2.843 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925530522 618882499 /nfs/dbraw/zinc/88/24/99/618882499.db2.gz SEVAZNKMATVPPM-ZACQAIPSSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H](CCN[C@@H]1CC[NH2+]C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000925530785 618883091 /nfs/dbraw/zinc/88/30/91/618883091.db2.gz UKXYJLDCUFSWMM-DOTOQJQBSA-N 2 0 289.467 2.627 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000925530782 618883104 /nfs/dbraw/zinc/88/31/04/618883104.db2.gz UHTCNFKTUAMYSC-SJORKVTESA-N 2 0 291.483 2.643 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925534951 618887774 /nfs/dbraw/zinc/88/77/74/618887774.db2.gz ALXNDGXEHMMULP-HOCLYGCPSA-N 2 0 281.488 2.602 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000925536507 618890209 /nfs/dbraw/zinc/89/02/09/618890209.db2.gz FFYGPIOVIDVMQK-QAPCUYQASA-N 2 0 287.451 2.541 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000925543484 618903874 /nfs/dbraw/zinc/90/38/74/618903874.db2.gz UYXPMIRNBLXXGY-BZUAXINKSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925552554 618914626 /nfs/dbraw/zinc/91/46/26/618914626.db2.gz JNSSLNJFYVHDMQ-SJORKVTESA-N 3 0 293.499 2.763 20 0 CFADRP C[C@@H]1CCCCN1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925552482 618914801 /nfs/dbraw/zinc/91/48/01/618914801.db2.gz XGAYFQOQVSXQGC-SJLPKXTDSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C12CCC2 ZINC000925556459 618921061 /nfs/dbraw/zinc/92/10/61/618921061.db2.gz KNZGYDZPAPGZGW-SJORKVTESA-N 2 0 283.419 2.960 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cs1 ZINC000925564675 618929125 /nfs/dbraw/zinc/92/91/25/618929125.db2.gz KFJWGELDFJEPGH-SNPRPXQTSA-N 2 0 293.480 2.614 20 0 CFADRP C[N@@H+]1C[C@@]2(C)CN(C[C@@H]3CCC4(CCC4)CO3)C[C@@]2(C)C1 ZINC000931315934 618941128 /nfs/dbraw/zinc/94/11/28/618941128.db2.gz DQFXJHFAEJCHAU-YESZJQIVSA-N 2 0 292.467 2.609 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1(O)CCCC1 ZINC000925695514 618948111 /nfs/dbraw/zinc/94/81/11/618948111.db2.gz XKAGLUULYRTNGK-ILXRZTDVSA-N 2 0 294.483 2.684 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NCC[C@H]1CCc2ccccc2N1 ZINC000925701566 618955015 /nfs/dbraw/zinc/95/50/15/618955015.db2.gz BHQYUFCUUKGLTE-GDBMZVCRSA-N 2 0 273.424 2.534 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c(F)c1 ZINC000925703853 618957367 /nfs/dbraw/zinc/95/73/67/618957367.db2.gz VQARPIYSDHGXAO-NUEKZKHPSA-N 2 0 292.398 2.579 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc(C)n1 ZINC000925704919 618959051 /nfs/dbraw/zinc/95/90/51/618959051.db2.gz INHFPMQGMLLOPW-MSOLQXFVSA-N 2 0 287.451 2.956 20 0 CFADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc(C)n1 ZINC000925706625 618961350 /nfs/dbraw/zinc/96/13/50/618961350.db2.gz NVJZEJDLGNVTHW-GJZGRUSLSA-N 2 0 261.413 2.694 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1(F)F ZINC000925707675 618961982 /nfs/dbraw/zinc/96/19/82/618961982.db2.gz QFMLZJFZHXHLHX-GMTAPVOTSA-N 2 0 260.372 2.773 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnn1CC1CCC1 ZINC000925707635 618962029 /nfs/dbraw/zinc/96/20/29/618962029.db2.gz MBKPPPKBHNBGRC-AWEZNQCLSA-N 2 0 288.439 2.596 20 0 CFADRP C1CCC2(C1)[NH2+]CC[C@H]2N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000925710987 618964913 /nfs/dbraw/zinc/96/49/13/618964913.db2.gz YJCONKDMYQUXHM-NVXWUHKLSA-N 2 0 291.483 2.658 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925714056 618968961 /nfs/dbraw/zinc/96/89/61/618968961.db2.gz NJMZZOXMIKNAKO-CABCVRRESA-N 2 0 281.488 2.699 20 0 CFADRP Nc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925714053 618969074 /nfs/dbraw/zinc/96/90/74/618969074.db2.gz NGPDQQLXUKELGK-IAGOWNOFSA-N 2 0 273.424 2.527 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1 ZINC000925720784 618978423 /nfs/dbraw/zinc/97/84/23/618978423.db2.gz JFNUKNIAFWGWFR-NVXWUHKLSA-N 2 0 276.424 2.873 20 0 CFADRP C(C[C@@H]1CCCOC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925720780 618978461 /nfs/dbraw/zinc/97/84/61/618978461.db2.gz JEESRQHIDCSUTL-UAGQMJEPSA-N 2 0 280.456 2.561 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000925721913 618981395 /nfs/dbraw/zinc/98/13/95/618981395.db2.gz IACYTWJJMKXNHQ-RYUDHWBXSA-N 2 0 268.351 2.960 20 0 CFADRP Fc1cccc(CCCN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000257671220 618988764 /nfs/dbraw/zinc/98/87/64/618988764.db2.gz ILQCFORXYYVYIZ-INIZCTEOSA-N 2 0 262.372 2.586 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)OCC ZINC000925722751 618989448 /nfs/dbraw/zinc/98/94/48/618989448.db2.gz KVBMQBSRNMIQHH-BFHYXJOUSA-N 2 0 256.434 2.687 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)OCC ZINC000925722753 618989676 /nfs/dbraw/zinc/98/96/76/618989676.db2.gz KVBMQBSRNMIQHH-MELADBBJSA-N 2 0 256.434 2.687 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000093210456 618989897 /nfs/dbraw/zinc/98/98/97/618989897.db2.gz DEZHIEMAAXOHKF-NEPJUHHUSA-N 2 0 270.323 2.648 20 0 CFADRP OC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000093491798 619030497 /nfs/dbraw/zinc/03/04/97/619030497.db2.gz HVTWPRROZKEJHF-OWCLPIDISA-N 2 0 280.456 2.582 20 0 CFADRP CCSc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000925733449 619042383 /nfs/dbraw/zinc/04/23/83/619042383.db2.gz UQHIWXJUNBYHII-TZMCWYRMSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@H](N)[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000925736174 619045534 /nfs/dbraw/zinc/04/55/34/619045534.db2.gz ZPLZGLPZLJWUAD-FQXVJMBOSA-N 2 0 289.467 2.927 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738350 619049074 /nfs/dbraw/zinc/04/90/74/619049074.db2.gz QKSYZZZYULIGDO-KGLIPLIRSA-N 2 0 284.444 2.606 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000925739836 619049562 /nfs/dbraw/zinc/04/95/62/619049562.db2.gz ABYXHEBTOFHMGY-GFCCVEGCSA-N 2 0 280.412 2.790 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(C)nc2C)CC1 ZINC000925756318 619066386 /nfs/dbraw/zinc/06/63/86/619066386.db2.gz KVUZFDGHQBCGTM-AWEZNQCLSA-N 2 0 261.413 2.963 20 0 CFADRP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000893554537 619069154 /nfs/dbraw/zinc/06/91/54/619069154.db2.gz XDLNXHHOVPGSDZ-LSDHHAIUSA-N 2 0 298.471 2.674 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000925760330 619070311 /nfs/dbraw/zinc/07/03/11/619070311.db2.gz PKUUQMVVLWOKJH-ZBFHGGJFSA-N 2 0 276.424 2.966 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(Cl)n1 ZINC000925763844 619073974 /nfs/dbraw/zinc/07/39/74/619073974.db2.gz FIPKCJBPXUSORD-JTQLQIEISA-N 2 0 255.793 2.651 20 0 CFADRP C[C@H]1C[C@H](c2cccnc2)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000893572525 619075942 /nfs/dbraw/zinc/07/59/42/619075942.db2.gz RPXIPPJURBZQOQ-WMLDXEAASA-N 2 0 273.424 2.806 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CCCOC1 ZINC000925766967 619077793 /nfs/dbraw/zinc/07/77/93/619077793.db2.gz DJNQSNWJKHQBTD-XQLPTFJDSA-N 2 0 268.445 2.687 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000925767881 619078867 /nfs/dbraw/zinc/07/88/67/619078867.db2.gz QVNNHLFNWHTZNG-IRXDYDNUSA-N 2 0 278.440 2.597 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)c2ccccc21 ZINC000925774913 619093980 /nfs/dbraw/zinc/09/39/80/619093980.db2.gz YADUSJCABDCIRQ-NXOAAHMSSA-N 2 0 272.392 2.823 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777187 619098819 /nfs/dbraw/zinc/09/88/19/619098819.db2.gz OPWHYTSXGAINMP-WOPDTQHZSA-N 2 0 260.372 2.646 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C12CCC2 ZINC000925778297 619100445 /nfs/dbraw/zinc/10/04/45/619100445.db2.gz JRAYIAMBDGRGEB-SOUVJXGZSA-N 2 0 260.356 2.673 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC)cc1 ZINC000925780449 619102367 /nfs/dbraw/zinc/10/23/67/619102367.db2.gz SMXPHZFEMYKALK-HIFRSBDPSA-N 2 0 298.377 2.981 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925781327 619102955 /nfs/dbraw/zinc/10/29/55/619102955.db2.gz YCVDBKHNMCIEJX-SMDDNHRTSA-N 2 0 284.325 2.647 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925786535 619111861 /nfs/dbraw/zinc/11/18/61/619111861.db2.gz TXPDBKMYYLSCOW-BPQIPLTHSA-N 2 0 290.451 2.673 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cnn1-c1ccccc1 ZINC000925788725 619113088 /nfs/dbraw/zinc/11/30/88/619113088.db2.gz BSHJNUKFQCYUPW-YCPHGPKFSA-N 2 0 298.434 2.687 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000925790365 619114815 /nfs/dbraw/zinc/11/48/15/619114815.db2.gz HQDQGUDRNVARRW-SUNKGSAMSA-N 2 0 280.412 2.808 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000925790366 619114893 /nfs/dbraw/zinc/11/48/93/619114893.db2.gz HQDQGUDRNVARRW-UHIISALHSA-N 2 0 280.412 2.808 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000925792206 619117374 /nfs/dbraw/zinc/11/73/74/619117374.db2.gz VCGCEEQOBIZQIR-NTZNESFSSA-N 2 0 250.411 2.571 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925793294 619117740 /nfs/dbraw/zinc/11/77/40/619117740.db2.gz XWSCDBALBAWZGI-FMKPAKJESA-N 2 0 276.424 2.980 20 0 CFADRP CCC1(CC)C[N@H+](CC2CC[NH+](C)CC2)CCS1 ZINC000893631451 619122684 /nfs/dbraw/zinc/12/26/84/619122684.db2.gz PQDJBDGHBHNJKH-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802962 619123140 /nfs/dbraw/zinc/12/31/40/619123140.db2.gz KSKAKGHWXLPRJV-CKEIUWERSA-N 2 0 288.435 2.908 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000925804297 619124498 /nfs/dbraw/zinc/12/44/98/619124498.db2.gz GKLMIRBPMAMKQO-QFPQGHNZSA-N 2 0 262.441 2.918 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814334 619132456 /nfs/dbraw/zinc/13/24/56/619132456.db2.gz KQTAEPKNNOHZTL-IRXDYDNUSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925819824 619140220 /nfs/dbraw/zinc/14/02/20/619140220.db2.gz ACMKIUDGRGBBLR-KLAILNCOSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925821235 619141315 /nfs/dbraw/zinc/14/13/15/619141315.db2.gz FXDZAXMTRZVZQS-HSWKJAPRSA-N 2 0 258.409 2.579 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925826350 619151287 /nfs/dbraw/zinc/15/12/87/619151287.db2.gz NBVFBEBWDPNENE-KBMXLJTQSA-N 2 0 280.456 2.831 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1cc(F)ccc1OC ZINC000925826801 619155569 /nfs/dbraw/zinc/15/55/69/619155569.db2.gz JQJITCQABJRXSN-DZGCQCFKSA-N 2 0 298.402 2.629 20 0 CFADRP C[C@H]([NH2+]CC1(c2cccc(F)c2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000925829676 619160824 /nfs/dbraw/zinc/16/08/24/619160824.db2.gz DCHYXUFHCZBIPJ-UONOGXRCSA-N 2 0 276.399 2.835 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cnc3ccccc3c2)C12CCC2 ZINC000925832925 619164045 /nfs/dbraw/zinc/16/40/45/619164045.db2.gz OYKUASINFTUWBH-IRXDYDNUSA-N 2 0 281.403 2.637 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925836029 619167103 /nfs/dbraw/zinc/16/71/03/619167103.db2.gz ZKOBOEIOSATLPK-NDBYEHHHSA-N 2 0 294.361 2.736 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925835585 619167375 /nfs/dbraw/zinc/16/73/75/619167375.db2.gz UDJJMGQUTMDOLK-RNJOBUHISA-N 2 0 294.361 2.594 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000261539059 619169938 /nfs/dbraw/zinc/16/99/38/619169938.db2.gz BLGGINALYNWQHW-IWCVFHTOSA-N 2 0 287.451 2.509 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000261570223 619171110 /nfs/dbraw/zinc/17/11/10/619171110.db2.gz OHBYFEWPFDYKLI-AJNGGQMLSA-N 2 0 268.445 2.545 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@]13CCC[C@H]1[NH2+]CC3)CC2 ZINC000925839282 619171970 /nfs/dbraw/zinc/17/19/70/619171970.db2.gz BMGVTISTMOBHDF-KZNAEPCWSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CC[NH2+]C1 ZINC000925840288 619173486 /nfs/dbraw/zinc/17/34/86/619173486.db2.gz VDELUWUQEXLHAP-SPWCGHHHSA-N 2 0 280.362 2.623 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c(C)o1 ZINC000925845760 619177631 /nfs/dbraw/zinc/17/76/31/619177631.db2.gz QQRUQPHMUZVGRB-OAHLLOKOSA-N 2 0 293.455 2.623 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925849516 619182255 /nfs/dbraw/zinc/18/22/55/619182255.db2.gz OWWIPJTWOJITJB-QGZVFWFLSA-N 2 0 289.467 2.721 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(N)c2)CC1 ZINC000261635560 619182624 /nfs/dbraw/zinc/18/26/24/619182624.db2.gz FFSMEXHMWICJFW-UHFFFAOYSA-N 2 0 261.413 2.573 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925856216 619185305 /nfs/dbraw/zinc/18/53/05/619185305.db2.gz DXXXOKFCVODHPO-GYXIZQIFSA-N 3 0 279.472 2.514 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCS2 ZINC000925860932 619187620 /nfs/dbraw/zinc/18/76/20/619187620.db2.gz MIMCNOBYZOPIJH-CHWSQXEVSA-N 2 0 254.443 2.536 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925871969 619193247 /nfs/dbraw/zinc/19/32/47/619193247.db2.gz MLYFGIBLYNSSNY-YYIAUSFCSA-N 2 0 285.435 2.969 20 0 CFADRP Cc1cc(F)c(CN[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000925874021 619195306 /nfs/dbraw/zinc/19/53/06/619195306.db2.gz GQWMSKLWFRTFDL-LLVKDONJSA-N 2 0 254.324 2.505 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880398 619200257 /nfs/dbraw/zinc/20/02/57/619200257.db2.gz QYWNSUOXGGJHJU-IMJJTQAJSA-N 2 0 261.413 2.510 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925880313 619200374 /nfs/dbraw/zinc/20/03/74/619200374.db2.gz JBTTXBHFDLAIGP-OLMNPRSZSA-N 2 0 288.435 2.668 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000925881216 619201459 /nfs/dbraw/zinc/20/14/59/619201459.db2.gz ZQDIBJLHVSPDDI-FMKPAKJESA-N 2 0 298.434 2.865 20 0 CFADRP CSCC1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925881135 619201621 /nfs/dbraw/zinc/20/16/21/619201621.db2.gz XXAKNLSWPWMIJS-DKNRTOFZSA-N 2 0 256.459 2.625 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)C12CCC2 ZINC000925881807 619201836 /nfs/dbraw/zinc/20/18/36/619201836.db2.gz VAYNTILKUQMZIL-BBWFWOEESA-N 2 0 286.419 2.550 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000925881968 619201979 /nfs/dbraw/zinc/20/19/79/619201979.db2.gz IBNKDBNSGCYMMU-WOSRLPQWSA-N 2 0 259.397 2.650 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(CC)CC ZINC000925883902 619203387 /nfs/dbraw/zinc/20/33/87/619203387.db2.gz YSQYPQPAMJWTPV-QPSCCSFWSA-N 2 0 268.445 2.687 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925888362 619205093 /nfs/dbraw/zinc/20/50/93/619205093.db2.gz BNVSCPHSOMPKEI-RYUDHWBXSA-N 2 0 265.401 2.541 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC000925888262 619205139 /nfs/dbraw/zinc/20/51/39/619205139.db2.gz ASNAHROMVPDRBY-SRABZTEZSA-N 2 0 288.435 2.530 20 0 CFADRP COC1CCC(C[N@@H+]2CCCC23CC[NH+](C)CC3)CC1 ZINC000893855120 619229051 /nfs/dbraw/zinc/22/90/51/619229051.db2.gz DFGKSPRFLMOJEU-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC000893886612 619236075 /nfs/dbraw/zinc/23/60/75/619236075.db2.gz GTJMVRDTIHGZGF-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2COc3ccccc3C2)CC1 ZINC000726695297 619258064 /nfs/dbraw/zinc/25/80/64/619258064.db2.gz HOHJBICQXFXLIH-HNNXBMFYSA-N 2 0 288.435 2.702 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000925013238 619333004 /nfs/dbraw/zinc/33/30/04/619333004.db2.gz ZTJKOCQKLBIIBY-NUJGCVRESA-N 2 0 287.451 2.724 20 0 CFADRP Cc1ncoc1C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000894327009 619335052 /nfs/dbraw/zinc/33/50/52/619335052.db2.gz CQKVWOCKJXDFHT-UHFFFAOYSA-N 2 0 279.428 2.831 20 0 CFADRP C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925036349 619351769 /nfs/dbraw/zinc/35/17/69/619351769.db2.gz BYPZCTCXJNGXPC-DYVFJYSZSA-N 2 0 276.424 2.560 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c2ncccc12 ZINC000261960274 619354599 /nfs/dbraw/zinc/35/45/99/619354599.db2.gz HFIVXWIKJMOWNY-UHFFFAOYSA-N 2 0 299.393 2.949 20 0 CFADRP CSCc1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC000894449681 619386737 /nfs/dbraw/zinc/38/67/37/619386737.db2.gz NVJIKUVWOJHFRH-UHFFFAOYSA-N 2 0 266.454 2.933 20 0 CFADRP CCc1onc(C)c1CN(CC)CCC[NH+]1CCCC1 ZINC000894472154 619392685 /nfs/dbraw/zinc/39/26/85/619392685.db2.gz PZXSZDJVBCTJFI-UHFFFAOYSA-N 2 0 279.428 2.853 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000894478965 619397329 /nfs/dbraw/zinc/39/73/29/619397329.db2.gz HAWXGFFJAGRALX-NXYGQSRBSA-N 2 0 294.483 2.855 20 0 CFADRP CC[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCOC(C)(C)C1 ZINC000894535548 619412612 /nfs/dbraw/zinc/41/26/12/619412612.db2.gz KSNCKDQLVUTQFC-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000894623767 619431835 /nfs/dbraw/zinc/43/18/35/619431835.db2.gz QUVKFLHBBCDQSX-JCYILVPMSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H]2C)CC1 ZINC000894643260 619434880 /nfs/dbraw/zinc/43/48/80/619434880.db2.gz WAJWPSQRPMTBBN-DOTOQJQBSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cc(F)ncc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000894730384 619451961 /nfs/dbraw/zinc/45/19/61/619451961.db2.gz GOWUUKYRYDBEIT-UHFFFAOYSA-N 2 0 267.392 2.739 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000894731356 619452368 /nfs/dbraw/zinc/45/23/68/619452368.db2.gz QHMNIKFQZRKVLB-UHFFFAOYSA-N 2 0 282.457 2.626 20 0 CFADRP Cc1ccc(F)c(CC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000894741651 619455879 /nfs/dbraw/zinc/45/58/79/619455879.db2.gz IWZJIRNMZJCEPZ-UHFFFAOYSA-N 2 0 264.388 2.608 20 0 CFADRP COc1cc(F)cc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000894794506 619467802 /nfs/dbraw/zinc/46/78/02/619467802.db2.gz RXVOUOBOZLWMBK-CYBMUJFWSA-N 2 0 294.414 2.697 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@@H]1C[C@@]1(C)Br)C1CC1 ZINC000894807316 619471328 /nfs/dbraw/zinc/47/13/28/619471328.db2.gz SEHMUTFGZCZHEG-WCQYABFASA-N 2 0 289.261 2.624 20 0 CFADRP CCCSC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894860584 619487375 /nfs/dbraw/zinc/48/73/75/619487375.db2.gz FCUAPZCJDPMMNZ-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894892753 619501161 /nfs/dbraw/zinc/50/11/61/619501161.db2.gz FTHPTPKBCBGRCD-GPFKCLTHSA-N 2 0 286.419 2.514 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)c2c1 ZINC000895022110 619529099 /nfs/dbraw/zinc/52/90/99/619529099.db2.gz KNLGJSDQRNXDTB-SUMWQHHRSA-N 2 0 297.402 2.774 20 0 CFADRP CCc1onc(C)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000895472056 619539905 /nfs/dbraw/zinc/53/99/05/619539905.db2.gz FKSKFGJFQFCXPU-UHFFFAOYSA-N 2 0 291.439 2.757 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCC=CO1 ZINC000895682135 619585308 /nfs/dbraw/zinc/58/53/08/619585308.db2.gz BCHKXGLFWMTVJE-MRXNPFEDSA-N 2 0 266.429 2.877 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000895704714 619586905 /nfs/dbraw/zinc/58/69/05/619586905.db2.gz OMCSFJXLABDYAB-QZTJIDSGSA-N 2 0 288.435 2.526 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CC2(OC)CCCC2)CC1 ZINC000895823223 619615419 /nfs/dbraw/zinc/61/54/19/619615419.db2.gz VOYWCUVRIQFSAM-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000895931666 619638146 /nfs/dbraw/zinc/63/81/46/619638146.db2.gz CVVFDXYOOXFXEH-UHFFFAOYSA-N 3 0 293.499 2.669 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC000896021001 619656026 /nfs/dbraw/zinc/65/60/26/619656026.db2.gz YNUOBVQDABGAHA-UHFFFAOYSA-N 2 0 280.362 2.665 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCC(=O)OC(C)(C)C)CC1 ZINC000925132391 619711541 /nfs/dbraw/zinc/71/15/41/619711541.db2.gz XMWLKFFCCWCIEG-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccnc1 ZINC000896717710 619797200 /nfs/dbraw/zinc/79/72/00/619797200.db2.gz WFIDAZFUFLHNFK-IWCQGFGOSA-N 2 0 273.424 2.853 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C2CC(SC)C2)CC1 ZINC000925153230 619984176 /nfs/dbraw/zinc/98/41/76/619984176.db2.gz WVGQXCMIYKLLSR-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000925212734 620025240 /nfs/dbraw/zinc/02/52/40/620025240.db2.gz TUVXKZIDMWDBRW-UHFFFAOYSA-N 2 0 263.429 2.625 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000925258728 620075975 /nfs/dbraw/zinc/07/59/75/620075975.db2.gz PNINZGNXTZXHCI-OAHLLOKOSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000925267612 620122917 /nfs/dbraw/zinc/12/29/17/620122917.db2.gz KZDRODSIQGFHHC-WKILWMFISA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@H]2CCC(C)(C)CO2)CC1 ZINC000897474322 620181433 /nfs/dbraw/zinc/18/14/33/620181433.db2.gz QEPLQWAIGBAUPG-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@]2(C)CCCOC2)CC1 ZINC000925299229 620233883 /nfs/dbraw/zinc/23/38/83/620233883.db2.gz AFJGSVZLKZGODJ-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000897621446 620260699 /nfs/dbraw/zinc/26/06/99/620260699.db2.gz BMMPCFQFZSMZSR-QSPRXWTASA-N 2 0 262.441 2.862 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC000897621850 620261090 /nfs/dbraw/zinc/26/10/90/620261090.db2.gz WRCOMDJVENZRSV-TVFCKZIOSA-N 2 0 270.420 2.674 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC34CC(O)C4)CC2)C1 ZINC000897848495 620293273 /nfs/dbraw/zinc/29/32/73/620293273.db2.gz MSEFAQMDVHATKD-YUIBLSHUSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000897849640 620293943 /nfs/dbraw/zinc/29/39/43/620293943.db2.gz YGCLRJGAOWIAAT-KEIXCTPJSA-N 2 0 292.467 2.533 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000897952722 620309959 /nfs/dbraw/zinc/30/99/59/620309959.db2.gz JPPSKGLDVAAHGK-BPQIPLTHSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000898013675 620322852 /nfs/dbraw/zinc/32/28/52/620322852.db2.gz FJFVDMMFSVRPCT-FRRDWIJNSA-N 2 0 260.372 2.884 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC=CCCC2)CC1 ZINC000898031765 620326128 /nfs/dbraw/zinc/32/61/28/620326128.db2.gz IBXMTMSDZBTFDD-MRXNPFEDSA-N 2 0 294.483 2.948 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898112218 620335729 /nfs/dbraw/zinc/33/57/29/620335729.db2.gz PKGUUYGKDACMDC-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000898307415 620369702 /nfs/dbraw/zinc/36/97/02/620369702.db2.gz BKVFRWRWNOQJSV-LSDHHAIUSA-N 2 0 270.461 2.711 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccncc2)C2CC2)CC1(C)C ZINC000898317574 620371976 /nfs/dbraw/zinc/37/19/76/620371976.db2.gz JKPBVHXOSRDBIS-CVEARBPZSA-N 2 0 273.424 2.995 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694426 620418409 /nfs/dbraw/zinc/41/84/09/620418409.db2.gz GZLHVRPFLNDBGW-UHFFFAOYSA-N 2 0 281.488 2.846 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924627074 620420248 /nfs/dbraw/zinc/42/02/48/620420248.db2.gz CRMWYDOMLPPSQR-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)ccc2O1 ZINC000841056767 620422440 /nfs/dbraw/zinc/42/24/40/620422440.db2.gz JHCJEMLKADCJFE-SFHVURJKSA-N 2 0 288.435 2.879 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(C)c1OC(F)F ZINC000841064977 620434367 /nfs/dbraw/zinc/43/43/67/620434367.db2.gz XJWBVKCUXDBHTO-TZMCWYRMSA-N 2 0 298.377 2.992 20 0 CFADRP C[C@@H]1CCCCN1CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924675216 620438242 /nfs/dbraw/zinc/43/82/42/620438242.db2.gz MLKAPFGXDUBYKV-DJIMGWMZSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCCCN1CC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000924675223 620438265 /nfs/dbraw/zinc/43/82/65/620438265.db2.gz MLKAPFGXDUBYKV-OIISXLGYSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)CCCCO2)CC1 ZINC000927022442 620441091 /nfs/dbraw/zinc/44/10/91/620441091.db2.gz RILOLJQFTFHVBO-INIZCTEOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnnc1 ZINC000924689378 620441394 /nfs/dbraw/zinc/44/13/94/620441394.db2.gz XAUSCHKFWAPYDH-HUUCEWRRSA-N 2 0 276.428 2.639 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H](C)C2)[C@H](C)C1 ZINC000927034456 620444244 /nfs/dbraw/zinc/44/42/44/620444244.db2.gz WPJFNAJHTAJKME-RQJABVFESA-N 2 0 256.459 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H](C)C2)[C@@H](C)C1 ZINC000927034452 620444297 /nfs/dbraw/zinc/44/42/97/620444297.db2.gz WPJFNAJHTAJKME-DGAVXFQQSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CCCO)C[NH+]1CCCC1 ZINC000924716897 620451912 /nfs/dbraw/zinc/45/19/12/620451912.db2.gz RQHDEOJHSWPVMN-IXDOHACOSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCOc2cccc(F)c2)CC[N@@H+]1C ZINC000898444748 620466084 /nfs/dbraw/zinc/46/60/84/620466084.db2.gz LOXDMRPBANHFKE-HIFRSBDPSA-N 2 0 280.387 2.667 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000924751994 620529613 /nfs/dbraw/zinc/52/96/13/620529613.db2.gz MBJFBZCZWRFRQG-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cnn(C)c2C[NH3+])c1 ZINC000899321837 620543132 /nfs/dbraw/zinc/54/31/32/620543132.db2.gz ADXMMFCPIZPKQM-ZDUSSCGKSA-N 2 0 284.407 2.530 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000902078209 620969515 /nfs/dbraw/zinc/96/95/15/620969515.db2.gz KNQPZHVZLRBYLI-OAHLLOKOSA-N 2 0 275.440 2.940 20 0 CFADRP [NH3+]CCCC[C@@H]([NH2+]C1CCOCC1)c1ccc(F)cc1F ZINC000902316183 621030997 /nfs/dbraw/zinc/03/09/97/621030997.db2.gz AUAULLKZCDRZTL-MRXNPFEDSA-N 2 0 298.377 2.904 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000902317003 621031551 /nfs/dbraw/zinc/03/15/51/621031551.db2.gz BKWZUMZDALFJIB-CABCVRRESA-N 2 0 258.409 2.694 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902346740 621034119 /nfs/dbraw/zinc/03/41/19/621034119.db2.gz PMTYTVKCYIIALX-IRXDYDNUSA-N 3 0 295.515 2.866 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902330612 621038524 /nfs/dbraw/zinc/03/85/24/621038524.db2.gz QJPKNNVMNWNYPR-HOTGVXAUSA-N 2 0 295.515 2.865 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902331771 621039105 /nfs/dbraw/zinc/03/91/05/621039105.db2.gz APFMOGNGNKAOIP-QGZVFWFLSA-N 3 0 289.467 2.616 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1F ZINC000902336131 621040903 /nfs/dbraw/zinc/04/09/03/621040903.db2.gz YPAOINBWSDUUQU-ZIAGYGMSSA-N 2 0 294.414 2.961 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902336643 621041508 /nfs/dbraw/zinc/04/15/08/621041508.db2.gz ZNGFOWROPWGSNK-RWMBFGLXSA-N 2 0 256.459 2.638 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCOC2CCCC2)C1 ZINC000902337089 621041638 /nfs/dbraw/zinc/04/16/38/621041638.db2.gz NTMSDPKGYXPPHY-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000902338201 621042381 /nfs/dbraw/zinc/04/23/81/621042381.db2.gz MGMRDYYXMCEKOX-PMPSAXMXSA-N 2 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000902371354 621044227 /nfs/dbraw/zinc/04/42/27/621044227.db2.gz OXGPYZCFHDNLOI-JKSUJKDBSA-N 2 0 273.424 2.901 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000902375102 621046218 /nfs/dbraw/zinc/04/62/18/621046218.db2.gz ATZYCAKGRBHONN-CYBMUJFWSA-N 2 0 282.378 2.875 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375780 621046261 /nfs/dbraw/zinc/04/62/61/621046261.db2.gz FOTYZTXZGHBSPN-OAGGEKHMSA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902360624 621052816 /nfs/dbraw/zinc/05/28/16/621052816.db2.gz IAGFCJSUUZYJPL-SJORKVTESA-N 3 0 295.515 2.722 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902381960 621059008 /nfs/dbraw/zinc/05/90/08/621059008.db2.gz ABMUEDPKWBHUFS-MRXNPFEDSA-N 2 0 275.440 2.690 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)C1 ZINC000902385834 621060164 /nfs/dbraw/zinc/06/01/64/621060164.db2.gz AOXVJGQKEJPKJD-HOTGVXAUSA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccn1 ZINC000902388909 621061491 /nfs/dbraw/zinc/06/14/91/621061491.db2.gz RWBQTCCEXAXEMH-AWEZNQCLSA-N 2 0 275.440 2.727 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)c1 ZINC000902390810 621062108 /nfs/dbraw/zinc/06/21/08/621062108.db2.gz BORMKWFZRPQZHA-OAHLLOKOSA-N 2 0 275.440 2.609 20 0 CFADRP CC(C)[C@H]([NH3+])CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902391992 621062780 /nfs/dbraw/zinc/06/27/80/621062780.db2.gz DIQVVKOEWWPIDF-HZPDHXFCSA-N 3 0 299.409 2.708 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000902397660 621065427 /nfs/dbraw/zinc/06/54/27/621065427.db2.gz OCEWBJJGQSIRCU-ZACQAIPSSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@]1(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902398278 621066031 /nfs/dbraw/zinc/06/60/31/621066031.db2.gz JQIYMOHTUUKZFC-DGCLKSJQSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C[C@H]2C[C@H]2C1 ZINC000902398990 621066616 /nfs/dbraw/zinc/06/66/16/621066616.db2.gz SBMBKMADWMKQHR-HLPPOEQASA-N 2 0 250.430 2.790 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)OCC ZINC000902400551 621067127 /nfs/dbraw/zinc/06/71/27/621067127.db2.gz SULWFDPJXUNUTM-ZIAGYGMSSA-N 2 0 256.434 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@]23C[C@H]2CCCC3)C1 ZINC000902402227 621068035 /nfs/dbraw/zinc/06/80/35/621068035.db2.gz JFCJDCMIJSCWIL-YCPHGPKFSA-N 2 0 250.430 2.935 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCOC1 ZINC000902402005 621068151 /nfs/dbraw/zinc/06/81/51/621068151.db2.gz HPBXPQSUZOHJEL-ZNMIVQPWSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC(Nc3ccccc3)C2)C1 ZINC000902402798 621068291 /nfs/dbraw/zinc/06/82/91/621068291.db2.gz CVRMAVRMOFSVSZ-GTPINHCMSA-N 2 0 287.451 2.997 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)C1 ZINC000902402364 621068322 /nfs/dbraw/zinc/06/83/22/621068322.db2.gz CDHSYUJSNTWBGY-GDBMZVCRSA-N 2 0 273.424 2.901 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCOC1 ZINC000902402003 621068359 /nfs/dbraw/zinc/06/83/59/621068359.db2.gz HPBXPQSUZOHJEL-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)CCO2 ZINC000902403551 621069007 /nfs/dbraw/zinc/06/90/07/621069007.db2.gz ILEFVECDTMOIKW-ISWURRPUSA-N 2 0 286.419 2.660 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000902431518 621077782 /nfs/dbraw/zinc/07/77/82/621077782.db2.gz MGTPEXZRCDYHBS-UKRRQHHQSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448062 621090396 /nfs/dbraw/zinc/09/03/96/621090396.db2.gz XLSIBEWXCNSVOY-NKBFTAMNSA-N 2 0 290.476 2.961 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902449251 621090678 /nfs/dbraw/zinc/09/06/78/621090678.db2.gz NETVAUJRRLTMRC-HYVNUMGLSA-N 2 0 293.499 2.617 20 0 CFADRP C1=CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000902453392 621093006 /nfs/dbraw/zinc/09/30/06/621093006.db2.gz BYXKKIJAHVTLDU-XLAORIBOSA-N 2 0 292.467 2.870 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000902457406 621094634 /nfs/dbraw/zinc/09/46/34/621094634.db2.gz RQQPLPXXLCJQIQ-YNEHKIRRSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902461065 621096025 /nfs/dbraw/zinc/09/60/25/621096025.db2.gz LFUWTEZVFYZULI-ZIAGYGMSSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461209 621096279 /nfs/dbraw/zinc/09/62/79/621096279.db2.gz MDTBEMPQICBTEC-YYIAUSFCSA-N 2 0 292.467 2.846 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902465230 621098808 /nfs/dbraw/zinc/09/88/08/621098808.db2.gz GTLWDZDAXAZZKM-NNPSNHGLSA-N 2 0 270.420 2.880 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902471358 621101699 /nfs/dbraw/zinc/10/16/99/621101699.db2.gz NTZBOFLVDXQZIL-QXDIGNSFSA-N 2 0 270.420 2.880 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cnn(CC2CCC2)c1 ZINC000902501876 621106417 /nfs/dbraw/zinc/10/64/17/621106417.db2.gz CUQFVBGDIWGLKZ-UONOGXRCSA-N 2 0 278.444 2.851 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnn(CC2CCC2)c1 ZINC000902505521 621106793 /nfs/dbraw/zinc/10/67/93/621106793.db2.gz UBFTVIDDCRTRRX-MAZHCROVSA-N 2 0 276.428 2.604 20 0 CFADRP Cc1ncccc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902513637 621109193 /nfs/dbraw/zinc/10/91/93/621109193.db2.gz NALKEJDAHUHMRH-ROUUACIJSA-N 2 0 287.451 2.690 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902483796 621110549 /nfs/dbraw/zinc/11/05/49/621110549.db2.gz CCDJBRSPJPXQMA-RFLUGMABSA-N 2 0 274.408 2.514 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+][C@H]3C[C@H](C[NH3+])C3)oc21 ZINC000902485978 621111701 /nfs/dbraw/zinc/11/17/01/621111701.db2.gz DHNMBCCBBVAIMI-NQBHXWOUSA-N 2 0 274.364 2.829 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489382 621113071 /nfs/dbraw/zinc/11/30/71/621113071.db2.gz POSGPUNJAMSANS-QVHKTLOISA-N 2 0 262.397 2.514 20 0 CFADRP CNc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000902596595 621127008 /nfs/dbraw/zinc/12/70/08/621127008.db2.gz PVUQEWQNFKXHRN-AWEZNQCLSA-N 2 0 261.413 2.550 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902728353 621159546 /nfs/dbraw/zinc/15/95/46/621159546.db2.gz QWIWPULNSBQIKJ-OIGKAMSRSA-N 2 0 292.467 2.654 20 0 CFADRP CN(CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C1CCCCC1 ZINC000902768799 621169548 /nfs/dbraw/zinc/16/95/48/621169548.db2.gz QROUQHWVSOQIKW-NNPSNHGLSA-N 2 0 292.467 2.654 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902808492 621175736 /nfs/dbraw/zinc/17/57/36/621175736.db2.gz JNQHYTDFROARQZ-XLMAVXFVSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902793518 621178355 /nfs/dbraw/zinc/17/83/55/621178355.db2.gz JRUFWLMLYNXAJP-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000902797438 621179973 /nfs/dbraw/zinc/17/99/73/621179973.db2.gz VYIHVZFPRKEHPX-RDJZCZTQSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000902810052 621184141 /nfs/dbraw/zinc/18/41/41/621184141.db2.gz PMDLEVBBKNKJBR-YHPRMOQLSA-N 2 0 294.483 2.756 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902975620 621215719 /nfs/dbraw/zinc/21/57/19/621215719.db2.gz HTIPIUVHPHJWDG-YHPRMOQLSA-N 2 0 292.467 2.510 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000903057303 621236127 /nfs/dbraw/zinc/23/61/27/621236127.db2.gz BIHLTULTKUMXFG-MSOLQXFVSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000903067512 621239212 /nfs/dbraw/zinc/23/92/12/621239212.db2.gz UAWHZKYUIWCKGT-CVYDXHPNSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+](C)C ZINC000903067196 621239539 /nfs/dbraw/zinc/23/95/39/621239539.db2.gz NYVOFSAHZKMMCM-NXCDMZCRSA-N 2 0 293.499 2.710 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000903067885 621240109 /nfs/dbraw/zinc/24/01/09/621240109.db2.gz XSRPHHTYLNAECH-XDNAFOTISA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC12CCCC2)C[NH+]1CCCCC1 ZINC000903075493 621242998 /nfs/dbraw/zinc/24/29/98/621242998.db2.gz XAFYHQBOAGAIBC-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@@]1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903106318 621255508 /nfs/dbraw/zinc/25/55/08/621255508.db2.gz YJIGQGZUYRMLMT-XVADJNMKSA-N 2 0 292.467 2.937 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCCSC1)C2 ZINC000903107165 621255825 /nfs/dbraw/zinc/25/58/25/621255825.db2.gz NERIEULTYKYHNS-IKKMQULASA-N 2 0 266.454 2.629 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCC[C@H]3OCC[C@@H]31)C2 ZINC000903112303 621256075 /nfs/dbraw/zinc/25/60/75/621256075.db2.gz MWKLRRMIDVCSLY-XAXVOUTHSA-N 2 0 290.451 2.691 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(CC2CCC2)c1 ZINC000903130112 621263348 /nfs/dbraw/zinc/26/33/48/621263348.db2.gz AXPBJRDAFJMSKF-CQSZACIVSA-N 2 0 288.439 2.596 20 0 CFADRP CO[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903131618 621263922 /nfs/dbraw/zinc/26/39/22/621263922.db2.gz JJRRPSDMXLTBNF-AIDGVLJZSA-N 2 0 278.440 2.549 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903147896 621272522 /nfs/dbraw/zinc/27/25/22/621272522.db2.gz UAJYAPJKADBNLN-MRXNPFEDSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903149058 621272863 /nfs/dbraw/zinc/27/28/63/621272863.db2.gz ZYRNJKHPEQDQPH-PETKQJPQSA-N 2 0 292.467 2.939 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903182248 621277061 /nfs/dbraw/zinc/27/70/61/621277061.db2.gz AWVNJLNBVGRYOZ-SXLMRFEMSA-N 2 0 278.440 2.691 20 0 CFADRP CCC[C@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195431 621281426 /nfs/dbraw/zinc/28/14/26/621281426.db2.gz YBADUKOGQIUGHY-SMMMKCNCSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1(F)F ZINC000903199939 621283254 /nfs/dbraw/zinc/28/32/54/621283254.db2.gz ILZIARDSHHNUBS-ZHDCTAKOSA-N 2 0 270.367 2.779 20 0 CFADRP Cc1ccncc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903200807 621284288 /nfs/dbraw/zinc/28/42/88/621284288.db2.gz VSWDVPZQSLNLCV-ZNXRZULTSA-N 2 0 285.435 2.680 20 0 CFADRP CCC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OCC ZINC000903205969 621287846 /nfs/dbraw/zinc/28/78/46/621287846.db2.gz NJDZNIUXHUZPQF-YQAQFAQXSA-N 2 0 280.456 2.939 20 0 CFADRP COC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903212584 621289570 /nfs/dbraw/zinc/28/95/70/621289570.db2.gz MTYSOKAPYAWMFZ-LQDVMPOASA-N 2 0 266.429 2.549 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCC3(COC3)CC1)C2 ZINC000903220983 621292763 /nfs/dbraw/zinc/29/27/63/621292763.db2.gz PEMKQBPVVJCMHD-ZXFUBFMLSA-N 2 0 290.451 2.693 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC000903232678 621297454 /nfs/dbraw/zinc/29/74/54/621297454.db2.gz XNFXXGGVCZSWLJ-UHFFFAOYSA-N 2 0 285.391 2.514 20 0 CFADRP C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)C1CC[NH+](C)CC1 ZINC000903322344 621322894 /nfs/dbraw/zinc/32/28/94/621322894.db2.gz CGCYPVSBKAHJJR-KTAKPFMOSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903385484 621357250 /nfs/dbraw/zinc/35/72/50/621357250.db2.gz XKPRIPADVDNZJF-HOTGVXAUSA-N 2 0 261.413 2.853 20 0 CFADRP COc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903429555 621371123 /nfs/dbraw/zinc/37/11/23/621371123.db2.gz GPMREPOXKRDJOT-RISCZKNCSA-N 2 0 282.815 2.908 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430867 621372274 /nfs/dbraw/zinc/37/22/74/621372274.db2.gz FVNCAPPAKHTFCL-HIFRSBDPSA-N 2 0 264.388 2.893 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000903431397 621372350 /nfs/dbraw/zinc/37/23/50/621372350.db2.gz MKBFPQDWCPYEOX-KWCYVHTRSA-N 2 0 250.411 2.741 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433208 621372882 /nfs/dbraw/zinc/37/28/82/621372882.db2.gz UWYVQFNLHFPJFS-HYVNUMGLSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435771 621374297 /nfs/dbraw/zinc/37/42/97/621374297.db2.gz ZBEIAEXUNCEQJV-TXCZRRACSA-N 2 0 274.408 2.576 20 0 CFADRP COc1ccc(C2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903437423 621374922 /nfs/dbraw/zinc/37/49/22/621374922.db2.gz HVTGZZIVXZYFSP-PBHICJAKSA-N 2 0 288.435 2.730 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000903438025 621375492 /nfs/dbraw/zinc/37/54/92/621375492.db2.gz PSKHMIIKQXTPMK-SNPRPXQTSA-N 2 0 278.827 2.985 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000903439701 621376351 /nfs/dbraw/zinc/37/63/51/621376351.db2.gz LVZNVDSHMRXUBM-DFGXFYAUSA-N 2 0 288.435 2.884 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000903439703 621376810 /nfs/dbraw/zinc/37/68/10/621376810.db2.gz LVZNVDSHMRXUBM-XLMAVXFVSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440389 621377134 /nfs/dbraw/zinc/37/71/34/621377134.db2.gz WKJQGBQRJXCVDM-JMSVASOKSA-N 2 0 262.372 2.872 20 0 CFADRP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903440417 621377405 /nfs/dbraw/zinc/37/74/05/621377405.db2.gz XBYDVORKGJUNTF-OIISXLGYSA-N 2 0 260.425 2.985 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903421611 621378447 /nfs/dbraw/zinc/37/84/47/621378447.db2.gz PPIZFUOYCXBYHA-AWEZNQCLSA-N 2 0 257.381 2.599 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000903422381 621378710 /nfs/dbraw/zinc/37/87/10/621378710.db2.gz ASZGUPYUJKPNEV-LBPRGKRZSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)[C@H]1C[NH3+] ZINC000903424955 621379709 /nfs/dbraw/zinc/37/97/09/621379709.db2.gz NDOWKGIZMQASRU-LRDDRELGSA-N 2 0 257.381 2.727 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)CC2 ZINC000903459734 621380341 /nfs/dbraw/zinc/38/03/41/621380341.db2.gz YHSISXNVCXAHFP-ZBFHGGJFSA-N 2 0 258.409 2.789 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903459200 621380522 /nfs/dbraw/zinc/38/05/22/621380522.db2.gz DUXCPKAFKYZTQI-KBPBESRZSA-N 2 0 290.398 2.640 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C[NH3+] ZINC000903458693 621380673 /nfs/dbraw/zinc/38/06/73/621380673.db2.gz HFRIPNHIIZETAS-SLBVQIDZSA-N 2 0 294.389 2.952 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903459286 621380769 /nfs/dbraw/zinc/38/07/69/621380769.db2.gz GAYSMDAGRPBGDN-DVOMOZLQSA-N 2 0 271.408 2.973 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461844 621382158 /nfs/dbraw/zinc/38/21/58/621382158.db2.gz YUYANJCTWPBFOX-MELADBBJSA-N 2 0 290.398 2.640 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000903441861 621382651 /nfs/dbraw/zinc/38/26/51/621382651.db2.gz CNEKSAPJKFQCKZ-JKIFEVAISA-N 2 0 298.434 2.566 20 0 CFADRP C(COC1CCSCC1)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000903445327 621384187 /nfs/dbraw/zinc/38/41/87/621384187.db2.gz HDAHZYPOCXDRAS-CVEARBPZSA-N 2 0 298.496 2.505 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1[NH3+] ZINC000903449457 621385527 /nfs/dbraw/zinc/38/55/27/621385527.db2.gz BHJIKAWYKYBFPN-UKRRQHHQSA-N 2 0 257.381 2.727 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453791 621387443 /nfs/dbraw/zinc/38/74/43/621387443.db2.gz LOLUEXILDOZKOD-OLZOCXBDSA-N 2 0 260.372 2.743 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903453790 621387602 /nfs/dbraw/zinc/38/76/02/621387602.db2.gz LOLUEXILDOZKOD-CHWSQXEVSA-N 2 0 260.372 2.743 20 0 CFADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000903456015 621388713 /nfs/dbraw/zinc/38/87/13/621388713.db2.gz CBEFJWDIRPNHQA-DYEKYZERSA-N 2 0 293.480 2.870 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000903474189 621389797 /nfs/dbraw/zinc/38/97/97/621389797.db2.gz HYWLGSKPBNLYRB-CQSZACIVSA-N 2 0 290.398 2.512 20 0 CFADRP COC[C@@H](C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C(C)C ZINC000903476427 621390933 /nfs/dbraw/zinc/39/09/33/621390933.db2.gz WOTJCMJVOWROAF-GDBMZVCRSA-N 2 0 270.461 2.602 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903481639 621391935 /nfs/dbraw/zinc/39/19/35/621391935.db2.gz ILKZQVSQVZYXLP-RVMXOQNASA-N 2 0 276.346 2.778 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1)C1CCCC1 ZINC000903482396 621392191 /nfs/dbraw/zinc/39/21/91/621392191.db2.gz GAEQQRLSCMYBSC-XYVMCAHJSA-N 3 0 293.499 2.733 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCOC2CC2)C1)C1CCCC1 ZINC000903482516 621392423 /nfs/dbraw/zinc/39/24/23/621392423.db2.gz KATISTXQPAVGHU-PBHICJAKSA-N 2 0 280.456 2.785 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903482356 621392474 /nfs/dbraw/zinc/39/24/74/621392474.db2.gz DNTFUXCVLJEMBQ-ZOBORPQBSA-N 2 0 280.362 2.751 20 0 CFADRP C[C@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C(C)(C)C ZINC000903505468 621394048 /nfs/dbraw/zinc/39/40/48/621394048.db2.gz CMLGOBLOEQTROX-OIISXLGYSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1CN(Cc2nc(C(F)(F)F)cs2)C[C@H]1CC[NH3+] ZINC000903499827 621394123 /nfs/dbraw/zinc/39/41/23/621394123.db2.gz QQSAAQZPCZZLJE-RKDXNWHRSA-N 2 0 293.358 2.579 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000903575972 621398458 /nfs/dbraw/zinc/39/84/58/621398458.db2.gz XEGWUZXBUMSMAH-HNNXBMFYSA-N 2 0 261.413 2.539 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903718856 621425252 /nfs/dbraw/zinc/42/52/52/621425252.db2.gz SJFUHJWRQWKHPI-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP CCC(CC)[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903723692 621426971 /nfs/dbraw/zinc/42/69/71/621426971.db2.gz YAPSZQRCCVGSIE-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP CCCCC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722852 621427012 /nfs/dbraw/zinc/42/70/12/621427012.db2.gz DVVANWABVJRYFO-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000903724170 621427384 /nfs/dbraw/zinc/42/73/84/621427384.db2.gz LPKBWBMRJMPVKO-BZSNNMDCSA-N 2 0 292.467 2.800 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903728369 621428930 /nfs/dbraw/zinc/42/89/30/621428930.db2.gz AAMHKPYVXJXTHG-CVEARBPZSA-N 2 0 290.451 2.948 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CCCC[NH2+]C2)C1 ZINC000903732605 621430110 /nfs/dbraw/zinc/43/01/10/621430110.db2.gz GSTWHYNGMLKSIA-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000903712562 621430758 /nfs/dbraw/zinc/43/07/58/621430758.db2.gz ODEXRZPVAMXQBL-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903716235 621431128 /nfs/dbraw/zinc/43/11/28/621431128.db2.gz KFSVFWYDEARVJZ-JSGCOSHPSA-N 2 0 250.361 2.715 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903747555 621431792 /nfs/dbraw/zinc/43/17/92/621431792.db2.gz UAHNAORZEQJAEI-AWEZNQCLSA-N 2 0 286.778 2.529 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000903749381 621432466 /nfs/dbraw/zinc/43/24/66/621432466.db2.gz JYOHPFCAYPVIFZ-MRXNPFEDSA-N 2 0 273.424 2.520 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1CF ZINC000903750102 621432623 /nfs/dbraw/zinc/43/26/23/621432623.db2.gz UVFQPLSQNZDFKP-HNNXBMFYSA-N 2 0 250.361 2.859 20 0 CFADRP CCC[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733734 621433600 /nfs/dbraw/zinc/43/36/00/621433600.db2.gz MUOHYKKNCNFMFD-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP C[N@H+](CCC(C)(C)C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903764272 621436679 /nfs/dbraw/zinc/43/66/79/621436679.db2.gz QQUQBLBQNLLCMP-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903767526 621437354 /nfs/dbraw/zinc/43/73/54/621437354.db2.gz GSSQBUVLKDVFRM-STQMWFEESA-N 2 0 294.361 2.547 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000903767116 621437361 /nfs/dbraw/zinc/43/73/61/621437361.db2.gz UHVAWICGVAUJPW-YESZJQIVSA-N 2 0 280.456 2.657 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000903764978 621437409 /nfs/dbraw/zinc/43/74/09/621437409.db2.gz CVEAHQCRPBTOGY-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000903766614 621437427 /nfs/dbraw/zinc/43/74/27/621437427.db2.gz BBWFTCZHARYNBI-AEFFLSMTSA-N 2 0 292.467 2.801 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903768642 621438012 /nfs/dbraw/zinc/43/80/12/621438012.db2.gz NZPMCGJCSAGASO-YESZJQIVSA-N 2 0 292.467 2.848 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1Br ZINC000903788231 621442241 /nfs/dbraw/zinc/44/22/41/621442241.db2.gz GSUKUMFHGWXJEJ-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](CCOc2ccccc2F)CC1 ZINC000903789341 621442287 /nfs/dbraw/zinc/44/22/87/621442287.db2.gz UFUUTOWQFQSTJI-UHFFFAOYSA-N 2 0 294.414 2.901 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000903789464 621442502 /nfs/dbraw/zinc/44/25/02/621442502.db2.gz XRMLVVSWRVCZAE-WBVHZDCISA-N 2 0 280.456 2.515 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903817662 621443845 /nfs/dbraw/zinc/44/38/45/621443845.db2.gz COAOIXDBNNDDEN-UHFFFAOYSA-N 2 0 288.435 2.594 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC[C@H]2CCCO2)CCC1 ZINC000903813220 621447702 /nfs/dbraw/zinc/44/77/02/621447702.db2.gz ZETSEIFZZMROSZ-HUUCEWRRSA-N 2 0 266.429 2.539 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC000903811861 621447833 /nfs/dbraw/zinc/44/78/33/621447833.db2.gz OTFRCZVKXNKHDZ-LSDHHAIUSA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3ccccc3o1)C2 ZINC000903842628 621452565 /nfs/dbraw/zinc/45/25/65/621452565.db2.gz QUUMRBXHMQNZMU-UBHSHLNASA-N 2 0 256.349 2.744 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C(F)F)c1)C2 ZINC000903841492 621453344 /nfs/dbraw/zinc/45/33/44/621453344.db2.gz DZEXVXJDURHXIQ-YUTCNCBUSA-N 2 0 266.335 2.936 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000903841605 621453354 /nfs/dbraw/zinc/45/33/54/621453354.db2.gz YLCNWNKYHQSRPC-SRVCANOKSA-N 2 0 286.419 2.718 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000903850219 621455749 /nfs/dbraw/zinc/45/57/49/621455749.db2.gz MOBXLAOBEKZHQI-YUTCNCBUSA-N 2 0 250.773 2.652 20 0 CFADRP C[C@]12CSC[C@H]1C[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000903870418 621461767 /nfs/dbraw/zinc/46/17/67/621461767.db2.gz GOJKXGKSIXYMRH-WBVHZDCISA-N 2 0 288.460 2.517 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000903874527 621462394 /nfs/dbraw/zinc/46/23/94/621462394.db2.gz CNFSRXQMESMLHP-ULQDDVLXSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895004 621465598 /nfs/dbraw/zinc/46/55/98/621465598.db2.gz JHKIKYGSBQMFQF-HQNOKGKPSA-N 2 0 270.420 2.964 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903900042 621467724 /nfs/dbraw/zinc/46/77/24/621467724.db2.gz YMIYOCNOBQSPAU-YHWZYXNKSA-N 2 0 279.453 2.807 20 0 CFADRP FC(F)O[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903902633 621468972 /nfs/dbraw/zinc/46/89/72/621468972.db2.gz LGPCSZXRPVRBJN-CQSZACIVSA-N 2 0 296.361 2.536 20 0 CFADRP Cc1cccc(CC[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903924925 621474360 /nfs/dbraw/zinc/47/43/60/621474360.db2.gz KLKWRMHNQSRDGI-ALOPSCKCSA-N 2 0 258.409 2.658 20 0 CFADRP Cc1ccccc1OCC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903926011 621474791 /nfs/dbraw/zinc/47/47/91/621474791.db2.gz RAQSWVSRVORTDW-UHFFFAOYSA-N 2 0 296.414 2.809 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC(C)(C)[NH3+])CC1 ZINC000903939399 621474955 /nfs/dbraw/zinc/47/49/55/621474955.db2.gz GMOUHSDTLWBSFW-HOCLYGCPSA-N 2 0 281.488 2.747 20 0 CFADRP c1csc(CC[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903927018 621474991 /nfs/dbraw/zinc/47/49/91/621474991.db2.gz WSNFUQVWBNVJIQ-UHFFFAOYSA-N 2 0 272.417 2.726 20 0 CFADRP CCC(CC)(CCO)C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903926014 621475291 /nfs/dbraw/zinc/47/52/91/621475291.db2.gz RBEBTOXSVBZHOU-UHFFFAOYSA-N 2 0 290.451 2.611 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000903932704 621476462 /nfs/dbraw/zinc/47/64/62/621476462.db2.gz FMFSETDZAOFTQQ-JRACIQGZSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)C1(F)F ZINC000903934447 621477071 /nfs/dbraw/zinc/47/70/71/621477071.db2.gz HNLJQVOBEXYIBM-LSPKCERGSA-N 2 0 272.383 2.740 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903938737 621478141 /nfs/dbraw/zinc/47/81/41/621478141.db2.gz IPWFJUPDORUNEP-UHFFFAOYSA-N 2 0 285.229 2.975 20 0 CFADRP CC(C)(C)[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000903917314 621478767 /nfs/dbraw/zinc/47/87/67/621478767.db2.gz LESQKSGRPZMQNL-QGZVFWFLSA-N 2 0 288.435 2.579 20 0 CFADRP CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957720 621479204 /nfs/dbraw/zinc/47/92/04/621479204.db2.gz SXSWPIQEHWGRQW-NWDGAFQWSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)[C@H]1C ZINC000903957727 621479237 /nfs/dbraw/zinc/47/92/37/621479237.db2.gz SYRCDITVKPCVOZ-VOAKCMCISA-N 2 0 260.372 2.646 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000903947650 621485346 /nfs/dbraw/zinc/48/53/46/621485346.db2.gz DFCRMUAZOUOJKM-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CCCCOc1ccccc1 ZINC000903956246 621490822 /nfs/dbraw/zinc/49/08/22/621490822.db2.gz JVLSGSVZTLJUQD-AWEZNQCLSA-N 2 0 298.377 2.680 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000903977049 621493526 /nfs/dbraw/zinc/49/35/26/621493526.db2.gz HQTHCGVZYIZDLQ-MZSZDEQASA-N 2 0 262.372 2.756 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978143 621493982 /nfs/dbraw/zinc/49/39/82/621493982.db2.gz GNASQEGXMZNWMG-ZMSDIMECSA-N 2 0 260.425 2.782 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000903963891 621495780 /nfs/dbraw/zinc/49/57/80/621495780.db2.gz ITRKASPLBOUPSA-XLNGHYISSA-N 2 0 258.409 2.595 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000903986165 621498758 /nfs/dbraw/zinc/49/87/58/621498758.db2.gz HCSGCZOBZQAPMD-SOEBMCCKSA-N 3 0 279.472 2.643 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCO3)CC[C@H]1[NH3+] ZINC000904301052 621568645 /nfs/dbraw/zinc/56/86/45/621568645.db2.gz FKGIKIXQXXSIGW-GDBMZVCRSA-N 2 0 274.408 2.571 20 0 CFADRP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307023 621569636 /nfs/dbraw/zinc/56/96/36/621569636.db2.gz IFZOSRDADUCXIO-KLPPZKSPSA-N 2 0 272.314 2.875 20 0 CFADRP C[NH+](C)CCC1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904311779 621570956 /nfs/dbraw/zinc/57/09/56/621570956.db2.gz BWIKRRGZTBCBAP-INIZCTEOSA-N 2 0 283.504 2.804 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904310151 621571040 /nfs/dbraw/zinc/57/10/40/621571040.db2.gz XFNNSSJWCGYMPD-GOSISDBHSA-N 2 0 290.451 2.567 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000904311744 621571047 /nfs/dbraw/zinc/57/10/47/621571047.db2.gz AZNMPHPVTRLFAT-IMJJTQAJSA-N 2 0 262.372 2.570 20 0 CFADRP COc1cc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)ccc1SC ZINC000904314391 621571579 /nfs/dbraw/zinc/57/15/79/621571579.db2.gz VTEXCSVXJQTVIH-BETUJISGSA-N 2 0 280.437 2.586 20 0 CFADRP COCCCC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904314496 621571784 /nfs/dbraw/zinc/57/17/84/621571784.db2.gz ZHQDWKXEMSRKPV-CALCHBBNSA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)COC1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904313568 621571893 /nfs/dbraw/zinc/57/18/93/621571893.db2.gz WNNHQWMYPDVJSJ-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904317602 621572842 /nfs/dbraw/zinc/57/28/42/621572842.db2.gz IIGWIADWUNMAEH-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904320423 621573614 /nfs/dbraw/zinc/57/36/14/621573614.db2.gz GTCQXXSNNIVTRS-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904321866 621574073 /nfs/dbraw/zinc/57/40/73/621574073.db2.gz IXPZVPNLYFYWEO-UAGQMJEPSA-N 2 0 258.409 2.777 20 0 CFADRP CCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000904322377 621574238 /nfs/dbraw/zinc/57/42/38/621574238.db2.gz BAWNONXCZNUOPX-BVIKNXMNSA-N 2 0 294.483 2.902 20 0 CFADRP CCCCO[C@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(C)C ZINC000904326495 621576261 /nfs/dbraw/zinc/57/62/61/621576261.db2.gz KTDUYPPMCCQWBD-XGUBFFRZSA-N 2 0 268.445 2.639 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(C[C@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904328020 621576456 /nfs/dbraw/zinc/57/64/56/621576456.db2.gz LQEPBDLICNCTIF-BZUAXINKSA-N 2 0 281.488 2.556 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C12CCC2 ZINC000904328701 621577028 /nfs/dbraw/zinc/57/70/28/621577028.db2.gz RHSLMWFPDQHQFN-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CCC[NH2+]C1 ZINC000904335688 621577461 /nfs/dbraw/zinc/57/74/61/621577461.db2.gz JLDZQTGRSRVDGP-SJORKVTESA-N 2 0 274.408 2.919 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904346356 621579571 /nfs/dbraw/zinc/57/95/71/621579571.db2.gz RJCQDWIYSBPEGH-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC12CCC2 ZINC000904345963 621579594 /nfs/dbraw/zinc/57/95/94/621579594.db2.gz NGLBKCKVOFYHLO-GJZGRUSLSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)[C@H](C)C1 ZINC000904349972 621580225 /nfs/dbraw/zinc/58/02/25/621580225.db2.gz FNINSQQOHUEDOW-HZSPNIEDSA-N 2 0 256.434 2.639 20 0 CFADRP C[C@@H]([NH3+])c1ccc(CNC[C@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904349582 621580598 /nfs/dbraw/zinc/58/05/98/621580598.db2.gz AVPSGYKTEYNUDL-CZUORRHYSA-N 2 0 277.456 2.950 20 0 CFADRP Cc1ccc([C@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c(C)c1 ZINC000904351633 621580998 /nfs/dbraw/zinc/58/09/98/621580998.db2.gz ZYVMMPTVXSGBQG-HRCADAONSA-N 2 0 258.409 2.830 20 0 CFADRP C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904359954 621582363 /nfs/dbraw/zinc/58/23/63/621582363.db2.gz VGXSHIHCOYOVSE-WZRBSPASSA-N 2 0 297.240 2.707 20 0 CFADRP [NH3+]CC1CC([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000904367434 621584007 /nfs/dbraw/zinc/58/40/07/621584007.db2.gz ANAJLYYSUYLUJM-UHFFFAOYSA-N 2 0 259.180 2.820 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000904367448 621584204 /nfs/dbraw/zinc/58/42/04/621584204.db2.gz AVWFYHKAYUDGLH-YJNKXOJESA-N 2 0 280.456 2.687 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000904367446 621584246 /nfs/dbraw/zinc/58/42/46/621584246.db2.gz AVWFYHKAYUDGLH-GBJTYRQASA-N 2 0 280.456 2.687 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904373369 621584631 /nfs/dbraw/zinc/58/46/31/621584631.db2.gz DANSPZMZHXDFME-UHOFOFEASA-N 2 0 262.372 2.526 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC3(CCc4ccccc4C3)CC2)C1 ZINC000904373841 621584728 /nfs/dbraw/zinc/58/47/28/621584728.db2.gz KVEHLHIHROANIQ-RHNCMZPLSA-N 2 0 284.447 2.995 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000904364549 621585299 /nfs/dbraw/zinc/58/52/99/621585299.db2.gz YOVCROOFFYNAED-IAGOWNOFSA-N 2 0 275.440 2.801 20 0 CFADRP COc1ccccc1CC[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904364261 621585506 /nfs/dbraw/zinc/58/55/06/621585506.db2.gz KIERSNOXIKBUAH-HNNXBMFYSA-N 2 0 278.440 2.981 20 0 CFADRP [NH3+]CC1CC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000904366837 621585918 /nfs/dbraw/zinc/58/59/18/621585918.db2.gz QVRKCNLNSYIFEF-ROKHWSDSSA-N 2 0 293.842 2.636 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904366510 621585926 /nfs/dbraw/zinc/58/59/26/621585926.db2.gz MPLZJMBMHDWNOQ-HOTGVXAUSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904376342 621587223 /nfs/dbraw/zinc/58/72/23/621587223.db2.gz PENGUOHSZUNWFQ-UONOGXRCSA-N 2 0 263.429 2.756 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000904405440 621590261 /nfs/dbraw/zinc/59/02/61/621590261.db2.gz IOWNXACUFAGVHR-GFCCVEGCSA-N 2 0 279.453 2.971 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000904405266 621590492 /nfs/dbraw/zinc/59/04/92/621590492.db2.gz JVKKWPWLYIUASZ-SECBINFHSA-N 2 0 278.343 2.938 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000904405619 621590505 /nfs/dbraw/zinc/59/05/05/621590505.db2.gz LADAEFBNWMPTAS-CYBMUJFWSA-N 2 0 284.350 2.501 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@H]1C[NH3+] ZINC000904409381 621590815 /nfs/dbraw/zinc/59/08/15/621590815.db2.gz ASQVAJXFCUYWIT-UWVGGRQHSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904409629 621591241 /nfs/dbraw/zinc/59/12/41/621591241.db2.gz DWPKQVUINUUFHB-RHSMWYFYSA-N 2 0 288.435 2.892 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cc2s1 ZINC000904406473 621591440 /nfs/dbraw/zinc/59/14/40/621591440.db2.gz WIWGPPABWJLJME-GFCCVEGCSA-N 2 0 275.421 2.775 20 0 CFADRP CCn1ccnc1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904410382 621591629 /nfs/dbraw/zinc/59/16/29/621591629.db2.gz CSPLPZBLLMJXMS-HNNXBMFYSA-N 2 0 290.455 2.505 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)CC[C@@H]1C[NH3+] ZINC000904410002 621591830 /nfs/dbraw/zinc/59/18/30/621591830.db2.gz LKGTUNFKKVSHOQ-DZGCQCFKSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000904411494 621592396 /nfs/dbraw/zinc/59/23/96/621592396.db2.gz KZWYMYKRMCFZJS-OCCSQVGLSA-N 2 0 298.377 2.747 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@@H]1CCOC1 ZINC000904416293 621593894 /nfs/dbraw/zinc/59/38/94/621593894.db2.gz KJMSVEGUVLKFGN-HZPDHXFCSA-N 2 0 280.456 2.515 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420191 621596282 /nfs/dbraw/zinc/59/62/82/621596282.db2.gz FYWCPXCUNSHFNA-LSDHHAIUSA-N 2 0 276.449 2.840 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC[NH2+]1 ZINC000904462121 621596960 /nfs/dbraw/zinc/59/69/60/621596960.db2.gz HOEJPMJNPGAJAY-VRXFMZDNSA-N 2 0 260.425 2.519 20 0 CFADRP COc1ccc(C[C@H](C)CN[C@H]2C[NH2+]CC2(C)C)cc1F ZINC000904461607 621597221 /nfs/dbraw/zinc/59/72/21/621597221.db2.gz KEIBCDFZNBOOPD-LRDDRELGSA-N 2 0 294.414 2.601 20 0 CFADRP c1c(C[NH2+]C2([C@@H]3CCCCO3)CC2)sc2c1C[NH2+]CC2 ZINC000904442092 621598675 /nfs/dbraw/zinc/59/86/75/621598675.db2.gz ADXOXLSWZYYFLX-HNNXBMFYSA-N 2 0 292.448 2.585 20 0 CFADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCOc3c(F)cccc32)CC[NH2+]1 ZINC000904443893 621598804 /nfs/dbraw/zinc/59/88/04/621598804.db2.gz JFAITPJRIDOVMG-YWPYICTPSA-N 2 0 278.371 2.627 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(C(C)(C)C[NH3+])CC2)CCO1 ZINC000904445118 621599450 /nfs/dbraw/zinc/59/94/50/621599450.db2.gz WBPUEMIGPOHEOC-GOEBONIOSA-N 2 0 282.472 2.889 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000904469862 621601314 /nfs/dbraw/zinc/60/13/14/621601314.db2.gz PWBUEVQVZWSODB-BRWVUGGUSA-N 2 0 287.451 2.585 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CC[NH2+]1 ZINC000904474304 621601936 /nfs/dbraw/zinc/60/19/36/621601936.db2.gz XSWVWQLRSXUMIL-VQHPVUNQSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3cccc(O)c3)cc2)CC1 ZINC000904763136 621640792 /nfs/dbraw/zinc/64/07/92/621640792.db2.gz YPMNIBJSKLEGQJ-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000905134384 621707666 /nfs/dbraw/zinc/70/76/66/621707666.db2.gz UMICZQPODFOVAW-HOCLYGCPSA-N 2 0 278.440 2.594 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2nc(C3(N)CC3)no2)cc1 ZINC000905319869 621740999 /nfs/dbraw/zinc/74/09/99/621740999.db2.gz ZNUFKIVTKQWSLR-UHFFFAOYSA-N 2 0 286.379 2.526 20 0 CFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC=CCC1 ZINC000905493709 621785426 /nfs/dbraw/zinc/78/54/26/621785426.db2.gz WVDBXEALRRLUME-SFHVURJKSA-N 2 0 288.435 2.568 20 0 CFADRP CC[C@@](O)(C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C(F)(F)F ZINC000905870164 621883646 /nfs/dbraw/zinc/88/36/46/621883646.db2.gz LIRSLJCTWJJGDQ-CYBMUJFWSA-N 2 0 296.377 2.589 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC000905885429 621890377 /nfs/dbraw/zinc/89/03/77/621890377.db2.gz ZEWLXKSJBGIICR-INIZCTEOSA-N 2 0 270.461 2.782 20 0 CFADRP C[NH2+]Cc1ncc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)cn1 ZINC000906157720 621935954 /nfs/dbraw/zinc/93/59/54/621935954.db2.gz JGRXICGSXXWZAV-CQSZACIVSA-N 2 0 296.418 2.847 20 0 CFADRP C[NH2+]Cc1ncc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)cn1 ZINC000906159516 621936275 /nfs/dbraw/zinc/93/62/75/621936275.db2.gz RVNWQFRVORUNQA-CQSZACIVSA-N 2 0 296.418 2.847 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)c1 ZINC000906160504 621936814 /nfs/dbraw/zinc/93/68/14/621936814.db2.gz ZSYUQGSWGGSDMF-MRXNPFEDSA-N 2 0 296.418 2.672 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccccc3O)cc2)CC1 ZINC000906167643 621942097 /nfs/dbraw/zinc/94/20/97/621942097.db2.gz AVHMRTOMBGQMEZ-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC000906525995 621997425 /nfs/dbraw/zinc/99/74/25/621997425.db2.gz AVALTEIEPPQROM-BYICEURKSA-N 2 0 297.402 2.771 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000071627265 625536869 /nfs/dbraw/zinc/53/68/69/625536869.db2.gz NNBDKWWKQJXQGR-CQSZACIVSA-N 2 0 276.424 2.989 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000841084135 622201082 /nfs/dbraw/zinc/20/10/82/622201082.db2.gz GYTFQEDGFYUNRD-ZWNOBZJWSA-N 2 0 268.788 2.566 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000841085755 622245801 /nfs/dbraw/zinc/24/58/01/622245801.db2.gz ABSZIDXKLVQOKR-KBPBESRZSA-N 2 0 250.411 2.562 20 0 CFADRP CC(C)C[C@](C)(C[NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911844403 622563818 /nfs/dbraw/zinc/56/38/18/622563818.db2.gz FRHJCALJQIYTGS-BLLLJJGKSA-N 2 0 277.412 2.656 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820810754 622763162 /nfs/dbraw/zinc/76/31/62/622763162.db2.gz DCXIOTQKKLERGD-ONQFOCNCSA-N 2 0 294.483 2.921 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000820842724 622773025 /nfs/dbraw/zinc/77/30/25/622773025.db2.gz WZVWFLUYSWPLMH-KBRIMQKVSA-N 2 0 276.424 2.702 20 0 CFADRP CO[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000821355297 622903184 /nfs/dbraw/zinc/90/31/84/622903184.db2.gz QIXCSCNAZXPPCN-CVEARBPZSA-N 2 0 266.429 2.504 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157244293 623021673 /nfs/dbraw/zinc/02/16/73/623021673.db2.gz VMCJFLFEYBQNPY-QZTJIDSGSA-N 2 0 282.387 2.972 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CCSCC2)c2ccccc21 ZINC000229219542 623189155 /nfs/dbraw/zinc/18/91/55/623189155.db2.gz UCMBZRDTMGWPEN-GJZGRUSLSA-N 2 0 262.422 2.864 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]21 ZINC000230046408 623242544 /nfs/dbraw/zinc/24/25/44/623242544.db2.gz CJMQCIAYWLAPNI-UHOFOFEASA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc4ccccc34)C[C@@H]21 ZINC000230126307 623256979 /nfs/dbraw/zinc/25/69/79/623256979.db2.gz BDIKPDOCHHLHID-VBNZEHGJSA-N 2 0 270.376 2.992 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000062867872 623301719 /nfs/dbraw/zinc/30/17/19/623301719.db2.gz KWTOCLPYKSJTLY-IRXDYDNUSA-N 2 0 258.409 2.866 20 0 CFADRP Fc1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199989 623333085 /nfs/dbraw/zinc/33/30/85/623333085.db2.gz ANNBUMVETVEEFL-INIZCTEOSA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC000232556209 623424802 /nfs/dbraw/zinc/42/48/02/623424802.db2.gz VKXGQDOZVOLNOT-YHWZYXNKSA-N 2 0 279.453 2.889 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929700182 623517136 /nfs/dbraw/zinc/51/71/36/623517136.db2.gz XINGJTMHUBFRLV-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929749052 623548811 /nfs/dbraw/zinc/54/88/11/623548811.db2.gz NPFQFYKKXOZQCQ-XQLPTFJDSA-N 2 0 286.410 2.941 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000089139308 623571702 /nfs/dbraw/zinc/57/17/02/623571702.db2.gz MQZBTVWIMAKACM-RISCZKNCSA-N 2 0 252.789 2.947 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000313106087 623663852 /nfs/dbraw/zinc/66/38/52/623663852.db2.gz JBFQVXGJGHDRRN-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)CC[N@@H+]1C ZINC000185302191 625709303 /nfs/dbraw/zinc/70/93/03/625709303.db2.gz IARVSSVLYWWQEN-IOASZLSFSA-N 2 0 296.842 2.620 20 0 CFADRP c1cc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)sn1 ZINC000930061650 624534474 /nfs/dbraw/zinc/53/44/74/624534474.db2.gz UNSYNIMFIUCFIK-CZUORRHYSA-N 2 0 291.464 2.634 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc(F)cc1 ZINC000925480513 624731815 /nfs/dbraw/zinc/73/18/15/624731815.db2.gz WLPBPERLXYKUFJ-LSDHHAIUSA-N 2 0 276.399 2.963 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925481717 624755261 /nfs/dbraw/zinc/75/52/61/624755261.db2.gz JWOLQOVBIQACET-SQWLQELKSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)[NH+]1CCCCC1 ZINC000251181174 625157916 /nfs/dbraw/zinc/15/79/16/625157916.db2.gz HEMQDXHYPYOBIZ-IXDOHACOSA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)[N@H+](C)CCCNCc1cnn(CC2CCC2)c1 ZINC000921520079 625972617 /nfs/dbraw/zinc/97/26/17/625972617.db2.gz FHFSIPUOKRAEMZ-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP Cc1cnc(Cl)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000921528267 625978428 /nfs/dbraw/zinc/97/84/28/625978428.db2.gz RTPYSBSJJULGBD-LBPRGKRZSA-N 2 0 279.815 2.617 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)N1CCC[C@@H](C)C1 ZINC000921529374 625978469 /nfs/dbraw/zinc/97/84/69/625978469.db2.gz MFVCDLZFERNJRI-DFBDCSAJSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921540365 625980940 /nfs/dbraw/zinc/98/09/40/625980940.db2.gz GVYTWDFZCQLTOL-GASCZTMLSA-N 2 0 291.439 2.635 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000921549230 625984580 /nfs/dbraw/zinc/98/45/80/625984580.db2.gz OGRVBVSVRUCLMW-UHFFFAOYSA-N 2 0 299.418 2.919 20 0 CFADRP CC[N@@H+]1CCC[C@@H](CNCc2cc(C)cnc2Cl)C1 ZINC000921624618 626001382 /nfs/dbraw/zinc/00/13/82/626001382.db2.gz KYMBSTBCTXVDBH-ZDUSSCGKSA-N 2 0 281.831 2.865 20 0 CFADRP CC[NH+](CC)Cc1cccc(CNc2cc(C)[nH+]c(N)n2)c1 ZINC000052427872 626035798 /nfs/dbraw/zinc/03/57/98/626035798.db2.gz WXOYGRGILYEMBH-UHFFFAOYSA-N 2 0 299.422 2.821 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921978247 626189657 /nfs/dbraw/zinc/18/96/57/626189657.db2.gz BOAQISUPKFSGLV-UHFFFAOYSA-N 2 0 287.451 2.782 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000921978403 626189673 /nfs/dbraw/zinc/18/96/73/626189673.db2.gz IZYWGRODGMKXKF-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]CC2(N(C)C)CCC2)C1 ZINC000922037764 626199645 /nfs/dbraw/zinc/19/96/45/626199645.db2.gz IWTYIPUUTBGLQT-STQMWFEESA-N 2 0 256.459 2.735 20 0 CFADRP C1C([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1[NH+]1CCCCC1 ZINC000922081539 626205031 /nfs/dbraw/zinc/20/50/31/626205031.db2.gz PKFCHJWZQONKMH-HYLCPLCXSA-N 2 0 292.467 2.798 20 0 CFADRP CSCc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000922225400 626244799 /nfs/dbraw/zinc/24/47/99/626244799.db2.gz QIHTXVSNLCWAHW-IYBDPMFKSA-N 2 0 278.465 2.979 20 0 CFADRP c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c[nH]1 ZINC000086256697 626273304 /nfs/dbraw/zinc/27/33/04/626273304.db2.gz CEPWZSMAQULDHD-UHFFFAOYSA-N 2 0 261.413 2.901 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000922509289 626300320 /nfs/dbraw/zinc/30/03/20/626300320.db2.gz LGTCESDQQSIAIM-UHFFFAOYSA-N 2 0 292.423 2.659 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@H]2CC[C@H](OC)C2)CC1 ZINC000851727482 634493112 /nfs/dbraw/zinc/49/31/12/634493112.db2.gz OXNCLRLYZTVQMT-HOTGVXAUSA-N 2 0 268.445 2.608 20 0 CFADRP CCCCC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186564724 626346418 /nfs/dbraw/zinc/34/64/18/626346418.db2.gz SENSVPHXWVHGAK-CVEARBPZSA-N 2 0 269.477 2.571 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCC2(CCC2)O1 ZINC000922806875 626369983 /nfs/dbraw/zinc/36/99/83/626369983.db2.gz PPTKAKZWKWDQQL-BZUAXINKSA-N 2 0 278.440 2.695 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000922844302 626378539 /nfs/dbraw/zinc/37/85/39/626378539.db2.gz BYWRZYGKAFUCIF-UHFFFAOYSA-N 2 0 277.387 2.717 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922846388 626379602 /nfs/dbraw/zinc/37/96/02/626379602.db2.gz ZCYSIPJYUSGIEB-YZUHTNEWSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1n[nH]c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000922847173 626380247 /nfs/dbraw/zinc/38/02/47/626380247.db2.gz WMOWVBDNINCWNO-UHFFFAOYSA-N 2 0 276.428 2.523 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccncc2F)CC1 ZINC000922844876 626380583 /nfs/dbraw/zinc/38/05/83/626380583.db2.gz JDISJWHJIXVBIM-UHFFFAOYSA-N 2 0 277.387 2.717 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000925363900 626402550 /nfs/dbraw/zinc/40/25/50/626402550.db2.gz OWEWCDYNSONQIB-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922951117 626431844 /nfs/dbraw/zinc/43/18/44/626431844.db2.gz SVJCHTLYWVYWRY-NCRRVARUSA-N 2 0 286.419 2.543 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298104 626464058 /nfs/dbraw/zinc/46/40/58/626464058.db2.gz LXGRIEKFWBNVBN-NVXWUHKLSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1noc(C)c1C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923307365 626464080 /nfs/dbraw/zinc/46/40/80/626464080.db2.gz RXDBDRTXRRQIKW-GOOCMWNKSA-N 2 0 277.412 2.644 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923308448 626464334 /nfs/dbraw/zinc/46/43/34/626464334.db2.gz CTFWPWVEAAOKAC-QGZVFWFLSA-N 2 0 288.435 2.844 20 0 CFADRP O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1)c1ccccc1 ZINC000923315749 626465053 /nfs/dbraw/zinc/46/50/53/626465053.db2.gz ZOYXEQJQYONMOE-MSOLQXFVSA-N 2 0 288.435 2.717 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923319435 626465447 /nfs/dbraw/zinc/46/54/47/626465447.db2.gz NFHCXMALFOPQNW-ALOPSCKCSA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923319031 626465574 /nfs/dbraw/zinc/46/55/74/626465574.db2.gz SNIFFILABJMMAX-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CCC1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317610 626465582 /nfs/dbraw/zinc/46/55/82/626465582.db2.gz GGDYZINMJRMLST-MRXNPFEDSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)CCC1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317609 626465604 /nfs/dbraw/zinc/46/56/04/626465604.db2.gz GGDYZINMJRMLST-INIZCTEOSA-N 2 0 280.456 2.513 20 0 CFADRP c1cc([C@H]2CCCN2CCC[NH2+]C2CC2)cc2c1OCO2 ZINC000923311617 626465939 /nfs/dbraw/zinc/46/59/39/626465939.db2.gz QMRXQEFXFXRFPA-OAHLLOKOSA-N 2 0 288.391 2.694 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329464 626466211 /nfs/dbraw/zinc/46/62/11/626466211.db2.gz JWKPRPGLHMGBBZ-IXDOHACOSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1ccc(N2CCC[N@H+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000923322129 626466554 /nfs/dbraw/zinc/46/65/54/626466554.db2.gz LTZYTKACSBBGOH-UHFFFAOYSA-N 2 0 287.451 2.649 20 0 CFADRP Fc1cccc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000923364417 626468541 /nfs/dbraw/zinc/46/85/41/626468541.db2.gz MEBOIKPLGXUDQQ-QGZVFWFLSA-N 2 0 276.399 2.832 20 0 CFADRP [NH3+]CCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CCCC1 ZINC000923353932 626468546 /nfs/dbraw/zinc/46/85/46/626468546.db2.gz OCZHGTZOELOGRI-AYHJJNSGSA-N 3 0 293.499 2.748 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1cccc(F)c1 ZINC000923352291 626468614 /nfs/dbraw/zinc/46/86/14/626468614.db2.gz CODDDVFRZSBDBW-HNNXBMFYSA-N 2 0 250.361 2.572 20 0 CFADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000923362184 626469400 /nfs/dbraw/zinc/46/94/00/626469400.db2.gz KZEBENYYAXUQSU-ZIAGYGMSSA-N 2 0 291.439 2.794 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CCN(CCC[NH2+]C2CC2)C1 ZINC000923390334 626469925 /nfs/dbraw/zinc/46/99/25/626469925.db2.gz XMDJAIJKANKPNS-QGZVFWFLSA-N 2 0 276.399 2.931 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)[C@@H]1CCC[NH3+] ZINC000923387821 626470342 /nfs/dbraw/zinc/47/03/42/626470342.db2.gz GDBZQSNSAYGARH-XYPHTWIQSA-N 2 0 294.414 2.699 20 0 CFADRP COc1cccc2c1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923401903 626470679 /nfs/dbraw/zinc/47/06/79/626470679.db2.gz ZZVPTMLGFYZRDQ-VHRNVKJDSA-N 2 0 286.419 2.932 20 0 CFADRP [NH3+]C[C@H]1Cc2ccccc2N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923414597 626471317 /nfs/dbraw/zinc/47/13/17/626471317.db2.gz MRAJUEAVIRZWHX-PDOIAVGCSA-N 2 0 299.462 2.545 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000923415199 626471501 /nfs/dbraw/zinc/47/15/01/626471501.db2.gz OZQCMHQGQDPGHF-RDJZCZTQSA-N 2 0 294.414 2.556 20 0 CFADRP CC(C)c1cc([C@H]2CCCN(CCC[NH2+]C3CC3)C2)n[nH]1 ZINC000923421976 626471527 /nfs/dbraw/zinc/47/15/27/626471527.db2.gz UBFXCMINIHGLRV-AWEZNQCLSA-N 2 0 290.455 2.855 20 0 CFADRP CCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923425856 626472192 /nfs/dbraw/zinc/47/21/92/626472192.db2.gz JLTUILDVIPPEIJ-OAHLLOKOSA-N 2 0 268.445 2.536 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923428265 626472233 /nfs/dbraw/zinc/47/22/33/626472233.db2.gz OBQHCRCYIMBNBN-QGZVFWFLSA-N 2 0 276.399 2.834 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000923427684 626472388 /nfs/dbraw/zinc/47/23/88/626472388.db2.gz UUESIVAUNJIRFB-OAHLLOKOSA-N 2 0 259.397 2.664 20 0 CFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449030 626473446 /nfs/dbraw/zinc/47/34/46/626473446.db2.gz JRNMJSJUGSSAKA-CZUORRHYSA-N 2 0 292.398 2.717 20 0 CFADRP Cc1cccc([C@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923448313 626473547 /nfs/dbraw/zinc/47/35/47/626473547.db2.gz BSHDQGSXXSNKMB-DOTOQJQBSA-N 2 0 288.435 2.886 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450172 626473842 /nfs/dbraw/zinc/47/38/42/626473842.db2.gz FGGNDZBAUWZYQU-AWEZNQCLSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1C ZINC000923451106 626474086 /nfs/dbraw/zinc/47/40/86/626474086.db2.gz LWSJFDSWKMBGFI-QGZVFWFLSA-N 2 0 288.435 2.633 20 0 CFADRP [NH3+][C@]1(CO)CCCN(C2c3ccccc3-c3ccccc32)C1 ZINC000923471194 626474971 /nfs/dbraw/zinc/47/49/71/626474971.db2.gz DFQWKJAVQRXQHE-LJQANCHMSA-N 2 0 294.398 2.542 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000923480093 626475877 /nfs/dbraw/zinc/47/58/77/626475877.db2.gz VDDDQQJLIOHZLD-NWANDNLSSA-N 2 0 280.362 2.706 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000923482163 626476226 /nfs/dbraw/zinc/47/62/26/626476226.db2.gz CJIZGDUBWODRNX-GFCCVEGCSA-N 2 0 279.453 2.971 20 0 CFADRP CCCCc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000923483769 626476367 /nfs/dbraw/zinc/47/63/67/626476367.db2.gz RGYKBYBJYKYSSV-GFCCVEGCSA-N 2 0 267.442 2.656 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496465 626476475 /nfs/dbraw/zinc/47/64/75/626476475.db2.gz ACJRAXCYPIJDPD-HZPDHXFCSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccsc2Cl)CC[C@H]1C[NH3+] ZINC000923492675 626476623 /nfs/dbraw/zinc/47/66/23/626476623.db2.gz YOHSCNKWSVKXSA-ZJUUUORDSA-N 2 0 258.818 2.818 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000923490711 626476637 /nfs/dbraw/zinc/47/66/37/626476637.db2.gz OTRHDLIZQWEDSB-GXTWGEPZSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923496648 626476764 /nfs/dbraw/zinc/47/67/64/626476764.db2.gz BJSLOYOHKFADRJ-CHWSQXEVSA-N 2 0 287.382 2.791 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000923493061 626476766 /nfs/dbraw/zinc/47/67/66/626476766.db2.gz QNXNZYPVKLCMKA-HNNXBMFYSA-N 2 0 284.403 2.889 20 0 CFADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493330 626476797 /nfs/dbraw/zinc/47/67/97/626476797.db2.gz SGVRMJNJPNHRFD-BQFCYCMXSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)CC[C@H]1C[NH3+] ZINC000923502403 626476846 /nfs/dbraw/zinc/47/68/46/626476846.db2.gz XFEDSOJFEPHKCW-NEPJUHHUSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@@H]1C[NH3+] ZINC000923494485 626476986 /nfs/dbraw/zinc/47/69/86/626476986.db2.gz XXRKBSZVQBYSQD-DZGCQCFKSA-N 2 0 250.430 2.874 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923502598 626477019 /nfs/dbraw/zinc/47/70/19/626477019.db2.gz CJIQBKXXLOEIIH-HZPDHXFCSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@@H]1C[NH3+] ZINC000923494394 626477041 /nfs/dbraw/zinc/47/70/41/626477041.db2.gz MNTJBPQEKKSCHT-CHWSQXEVSA-N 2 0 282.378 2.814 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)c1 ZINC000923499789 626477290 /nfs/dbraw/zinc/47/72/90/626477290.db2.gz UEXUEOPRCDYWPB-RYUDHWBXSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923499838 626477401 /nfs/dbraw/zinc/47/74/01/626477401.db2.gz MGQMGFJRNNXXJC-UKRRQHHQSA-N 2 0 264.388 2.675 20 0 CFADRP COCCCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504598 626477555 /nfs/dbraw/zinc/47/75/55/626477555.db2.gz BEZYRCZYZQJIHW-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC000923504691 626477557 /nfs/dbraw/zinc/47/75/57/626477557.db2.gz SYOAOYJSJWMRFF-QWHCGFSZSA-N 2 0 282.815 2.636 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923503961 626477619 /nfs/dbraw/zinc/47/76/19/626477619.db2.gz MYCHSEYGRNESRW-JKSUJKDBSA-N 2 0 276.424 2.599 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504514 626477644 /nfs/dbraw/zinc/47/76/44/626477644.db2.gz ZHICZTLSLSHDCO-HNNXBMFYSA-N 2 0 291.439 2.893 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)CC[C@H]1C[NH3+] ZINC000923501343 626477675 /nfs/dbraw/zinc/47/76/75/626477675.db2.gz QSJOUFHWVDZTNI-RYUDHWBXSA-N 2 0 291.420 2.820 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)[C@H]1CCCO1 ZINC000923506466 626477720 /nfs/dbraw/zinc/47/77/20/626477720.db2.gz JAGLDHSFWBZLLG-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC000923505488 626477734 /nfs/dbraw/zinc/47/77/34/626477734.db2.gz AANNHJQUOVISOO-AAEUAGOBSA-N 2 0 252.789 2.757 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000923505985 626477794 /nfs/dbraw/zinc/47/77/94/626477794.db2.gz FDLFLKLYYPAEIP-KRWDZBQOSA-N 2 0 287.451 2.992 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)ccn1 ZINC000923507136 626477835 /nfs/dbraw/zinc/47/78/35/626477835.db2.gz OAJVNYXERYGTSL-QGZVFWFLSA-N 2 0 287.451 2.992 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)sn1 ZINC000923507558 626477910 /nfs/dbraw/zinc/47/79/10/626477910.db2.gz QSTMQFCNQCUASS-ZDUSSCGKSA-N 2 0 279.453 2.745 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515429 626478164 /nfs/dbraw/zinc/47/81/64/626478164.db2.gz GKDCVKNHCCSNNO-JKSUJKDBSA-N 2 0 297.402 2.691 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000923531051 626478801 /nfs/dbraw/zinc/47/88/01/626478801.db2.gz NAPHSFNACJJVIW-AWEZNQCLSA-N 2 0 252.427 2.755 20 0 CFADRP C[C@]1(Cc2cccs2)CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923530721 626478876 /nfs/dbraw/zinc/47/88/76/626478876.db2.gz IOBBYOCYNOHUSC-UKRRQHHQSA-N 2 0 264.438 2.755 20 0 CFADRP CCc1noc(C)c1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000840807753 626482135 /nfs/dbraw/zinc/48/21/35/626482135.db2.gz FQZVSRLBWMJXRR-TZMCWYRMSA-N 2 0 279.428 2.928 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000838845029 626510016 /nfs/dbraw/zinc/51/00/16/626510016.db2.gz GQAFJYHSBGUBQJ-CABCVRRESA-N 2 0 298.471 2.770 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838872854 626512447 /nfs/dbraw/zinc/51/24/47/626512447.db2.gz QDUIERHPVHCENO-QAPCUYQASA-N 2 0 294.483 2.734 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)o1 ZINC000839165348 626528956 /nfs/dbraw/zinc/52/89/56/626528956.db2.gz NNDKYPVLEIMNPW-UHFFFAOYSA-N 2 0 255.321 2.834 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000757673767 626557583 /nfs/dbraw/zinc/55/75/83/626557583.db2.gz IWGVSTMEIYONJX-ZDUSSCGKSA-N 2 0 299.846 2.744 20 0 CFADRP c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000760955610 626788147 /nfs/dbraw/zinc/78/81/47/626788147.db2.gz UBAXIMWAXWHLFR-HOCLYGCPSA-N 2 0 270.420 2.790 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000765805408 627158685 /nfs/dbraw/zinc/15/86/85/627158685.db2.gz BCFHRNRKSAEMJP-PMPSAXMXSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCOC1 ZINC000766514411 627206798 /nfs/dbraw/zinc/20/67/98/627206798.db2.gz VQPGXWQXCNKBDX-JUVOFCAFSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)o1 ZINC000768303521 627331926 /nfs/dbraw/zinc/33/19/26/627331926.db2.gz UXISPJYGPFONBK-UHFFFAOYSA-N 2 0 250.386 2.670 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C2CC(C(F)F)C2)CC1 ZINC000768667232 627361581 /nfs/dbraw/zinc/36/15/81/627361581.db2.gz HYXYYAXKEGESRV-UHFFFAOYSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)OCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769463791 627443410 /nfs/dbraw/zinc/44/34/10/627443410.db2.gz QMGPEDLDWRVHFI-UHFFFAOYSA-N 2 0 278.440 2.995 20 0 CFADRP CCc1noc(C)c1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000769873372 627483565 /nfs/dbraw/zinc/48/35/65/627483565.db2.gz LIPOXOXUSOZUIC-NSHDSACASA-N 2 0 253.390 2.538 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000771390605 627601042 /nfs/dbraw/zinc/60/10/42/627601042.db2.gz PJVZGQUHAIAFDS-GMXVVIOVSA-N 2 0 267.804 2.868 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)nc1 ZINC000771390614 627601217 /nfs/dbraw/zinc/60/12/17/627601217.db2.gz PJVZGQUHAIAFDS-NTZNESFSSA-N 2 0 267.804 2.868 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000772949550 627760372 /nfs/dbraw/zinc/76/03/72/627760372.db2.gz CGRLGUIMMLIYET-SJORKVTESA-N 2 0 288.435 2.980 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000772949542 627760863 /nfs/dbraw/zinc/76/08/63/627760863.db2.gz CGRLGUIMMLIYET-DLBZAZTESA-N 2 0 288.435 2.980 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000772950627 627761388 /nfs/dbraw/zinc/76/13/88/627761388.db2.gz KJHMBYWDOOEKKY-HZPDHXFCSA-N 2 0 276.424 2.836 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000773010455 627768499 /nfs/dbraw/zinc/76/84/99/627768499.db2.gz LHZGEXWVROKDBB-UHOFOFEASA-N 2 0 296.842 2.693 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cccc(F)n1 ZINC000851985175 634616195 /nfs/dbraw/zinc/61/61/95/634616195.db2.gz KNOHYWKJHSOGJX-UHFFFAOYSA-N 2 0 290.386 2.892 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000775402737 628021957 /nfs/dbraw/zinc/02/19/57/628021957.db2.gz CFOUXHYGJZPLCE-OAHLLOKOSA-N 2 0 288.435 2.918 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000852045807 634635626 /nfs/dbraw/zinc/63/56/26/634635626.db2.gz NUAGDVOXFFSJBR-NXHRZFHOSA-N 2 0 290.451 2.771 20 0 CFADRP C[C@@H]1C[C@H](Nc2ccc(C[NH+](C)C)c(F)c2)CC[N@@H+]1C ZINC000777699874 628246684 /nfs/dbraw/zinc/24/66/84/628246684.db2.gz FQAJCGHNADXHTB-IUODEOHRSA-N 2 0 279.403 2.782 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000779340967 628375389 /nfs/dbraw/zinc/37/53/89/628375389.db2.gz LJQZLJJGLUKFSN-CVEARBPZSA-N 2 0 290.451 2.779 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780285328 628450479 /nfs/dbraw/zinc/45/04/79/628450479.db2.gz ISPVOVKNGBIQFN-KRWDZBQOSA-N 2 0 272.436 2.990 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(CC[C@@H]1CC1(Cl)Cl)C2 ZINC000852106567 634659582 /nfs/dbraw/zinc/65/95/82/634659582.db2.gz BMCVZVBCMRVFCL-OLZOCXBDSA-N 2 0 291.266 2.988 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000782155304 628608513 /nfs/dbraw/zinc/60/85/13/628608513.db2.gz RVRTXRPHMINRAI-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000787285991 629004426 /nfs/dbraw/zinc/00/44/26/629004426.db2.gz NLXYHSCRQRWTLW-OAHLLOKOSA-N 2 0 286.423 2.865 20 0 CFADRP Cc1nc(F)ccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000787285169 629004779 /nfs/dbraw/zinc/00/47/79/629004779.db2.gz WOZTUEUEQINKKD-UHFFFAOYSA-N 2 0 277.387 2.589 20 0 CFADRP C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788476739 629073110 /nfs/dbraw/zinc/07/31/10/629073110.db2.gz SMEBGURQXJTTOK-MAUKXSAKSA-N 2 0 288.435 2.790 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H](c2ccccc2)O1 ZINC000788479628 629073411 /nfs/dbraw/zinc/07/34/11/629073411.db2.gz XRZZQOWXKAJOIX-QAPCUYQASA-N 2 0 288.435 2.790 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788529765 629079155 /nfs/dbraw/zinc/07/91/55/629079155.db2.gz TYVQEWDDLHZAPH-GJZGRUSLSA-N 2 0 291.439 2.950 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000788573367 629082635 /nfs/dbraw/zinc/08/26/35/629082635.db2.gz PMHMFIJJAVMLDD-ZDUSSCGKSA-N 2 0 277.412 2.702 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)[C@@H](O)c1ccccc1 ZINC000794615760 629668615 /nfs/dbraw/zinc/66/86/15/629668615.db2.gz YVLMZCPEYYKJCZ-SQNIBIBYSA-N 2 0 290.451 2.819 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000796462960 629921107 /nfs/dbraw/zinc/92/11/07/629921107.db2.gz ZRCFOOWIWTVMGN-SJPCQFCGSA-N 2 0 288.435 2.931 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000796731133 629956957 /nfs/dbraw/zinc/95/69/57/629956957.db2.gz VADOOZXFKOCZGK-ZIFCJYIRSA-N 2 0 299.462 2.512 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000796775208 629964100 /nfs/dbraw/zinc/96/41/00/629964100.db2.gz JRAPMZLIUGANMJ-JARUQAPTSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ncc[nH]1 ZINC000796798670 629968983 /nfs/dbraw/zinc/96/89/83/629968983.db2.gz NINSXMYSWFGGNZ-NFOMZHRRSA-N 2 0 276.428 2.857 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)C1 ZINC000852564160 634780564 /nfs/dbraw/zinc/78/05/64/634780564.db2.gz FGQVJAHOAFSNMZ-RYRKJORJSA-N 2 0 287.451 2.724 20 0 CFADRP C[C@@]1(C[NH2+]CC2(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798497827 630196796 /nfs/dbraw/zinc/19/67/96/630196796.db2.gz DVLCMBDDDQTRNF-INIZCTEOSA-N 2 0 276.399 2.990 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC3(C)CCC3)C2)CC1 ZINC000798956835 630264248 /nfs/dbraw/zinc/26/42/48/630264248.db2.gz CFPSRHOSZXPCLG-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000799179355 630283920 /nfs/dbraw/zinc/28/39/20/630283920.db2.gz JJSPWNXPWABTJP-AWEZNQCLSA-N 2 0 277.412 2.852 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)n1 ZINC000852750087 634823712 /nfs/dbraw/zinc/82/37/12/634823712.db2.gz VYMKUFULVZQXFO-UHFFFAOYSA-N 2 0 279.815 2.619 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CC=C(Cl)Cl)CC[NH2+]CC2 ZINC000852752904 634825341 /nfs/dbraw/zinc/82/53/41/634825341.db2.gz QAFGLXJGPLCJHY-JTQLQIEISA-N 2 0 263.212 2.769 20 0 CFADRP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000806132162 630770595 /nfs/dbraw/zinc/77/05/95/630770595.db2.gz ROHHXFAYRDCHFG-FZMZJTMJSA-N 2 0 291.826 2.796 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000809606532 631245239 /nfs/dbraw/zinc/24/52/39/631245239.db2.gz WAFSHVOOAMHUIO-SJORKVTESA-N 2 0 273.424 2.539 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000809793087 631292498 /nfs/dbraw/zinc/29/24/98/631292498.db2.gz PSAAHSBPKFZXSG-HNNXBMFYSA-N 2 0 298.471 2.630 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841029467 631309973 /nfs/dbraw/zinc/30/99/73/631309973.db2.gz BQWLGJVCYZYJJX-XYPWUTKMSA-N 2 0 267.376 2.607 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cnc1Cl ZINC000841030165 631310745 /nfs/dbraw/zinc/31/07/45/631310745.db2.gz KUFMWZMUDNNWKN-QWHCGFSZSA-N 2 0 267.804 2.651 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031991 631311543 /nfs/dbraw/zinc/31/15/43/631311543.db2.gz FQNCHFRTTIIRQT-OAHLLOKOSA-N 2 0 298.430 2.917 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841049799 631320898 /nfs/dbraw/zinc/32/08/98/631320898.db2.gz HUOSVMPGHAUTOW-SECBINFHSA-N 2 0 260.353 2.828 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH3+])cc(C)c1OC(F)F ZINC000841049693 631321070 /nfs/dbraw/zinc/32/10/70/631321070.db2.gz VFBBNNVBRWHAII-VIFPVBQESA-N 2 0 272.339 2.589 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)ccc2O1 ZINC000841072620 631331144 /nfs/dbraw/zinc/33/11/44/631331144.db2.gz LONIIWWDGAILRN-INIZCTEOSA-N 2 0 288.435 2.878 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)oc21 ZINC000841079335 631332971 /nfs/dbraw/zinc/33/29/71/631332971.db2.gz MSAOEMNXOSLZCN-OAHLLOKOSA-N 2 0 286.375 2.673 20 0 CFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n(C)n1 ZINC000841869726 631484824 /nfs/dbraw/zinc/48/48/24/631484824.db2.gz YDUFRPPXEXAOSP-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000842471931 631639676 /nfs/dbraw/zinc/63/96/76/631639676.db2.gz HYLQONCQARRCNQ-QGZVFWFLSA-N 2 0 298.471 2.556 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474105 631640366 /nfs/dbraw/zinc/64/03/66/631640366.db2.gz FDLXAHQJBHOMEJ-SJORKVTESA-N 2 0 288.435 2.838 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])CCC1CCOCC1 ZINC000842473568 631640965 /nfs/dbraw/zinc/64/09/65/631640965.db2.gz ZHBDUDBTBRTZBJ-UHFFFAOYSA-N 2 0 256.434 2.644 20 0 CFADRP CCCCCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000842477959 631642052 /nfs/dbraw/zinc/64/20/52/631642052.db2.gz CRHGJQJRJQHKEY-HOTGVXAUSA-N 2 0 268.445 2.785 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cnc1Cl ZINC000843048596 631815606 /nfs/dbraw/zinc/81/56/06/631815606.db2.gz JOFFYQXSFJYHIU-NSHDSACASA-N 2 0 267.804 2.603 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cnc(Cl)c(C)c2)CC1 ZINC000843054979 631818552 /nfs/dbraw/zinc/81/85/52/631818552.db2.gz BHWDPCREINUQKH-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)oc21 ZINC000843058490 631821427 /nfs/dbraw/zinc/82/14/27/631821427.db2.gz ULRDNAMQUPWION-WCQYABFASA-N 2 0 274.364 2.611 20 0 CFADRP Cc1ccc(N2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000843058958 631822082 /nfs/dbraw/zinc/82/20/82/631822082.db2.gz AMFMWLBQVAWTAY-SFHVURJKSA-N 2 0 287.451 2.507 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCCCC[NH3+])CC2 ZINC000843126493 631845313 /nfs/dbraw/zinc/84/53/13/631845313.db2.gz HEZGNRXUUYEVOW-MRXNPFEDSA-N 2 0 276.424 2.661 20 0 CFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCCCC[NH3+] ZINC000843128799 631847418 /nfs/dbraw/zinc/84/74/18/631847418.db2.gz ZYZXNFGOGIMFEN-AWEZNQCLSA-N 2 0 292.423 2.845 20 0 CFADRP CCn1nc(C[NH2+]CCCCCC[NH3+])c2ccccc21 ZINC000843129249 631849115 /nfs/dbraw/zinc/84/91/15/631849115.db2.gz OMZGOXVNYOJPJO-UHFFFAOYSA-N 2 0 274.412 2.665 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843128917 631849241 /nfs/dbraw/zinc/84/92/41/631849241.db2.gz ZGDWEUQJAJQCRN-ZIAGYGMSSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000843130191 631849366 /nfs/dbraw/zinc/84/93/66/631849366.db2.gz ZRWCHYNYCPXOAQ-UHFFFAOYSA-N 2 0 286.322 2.617 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843340386 631931310 /nfs/dbraw/zinc/93/13/10/631931310.db2.gz LQHMQSKDEQZNGM-KUUJHZBNSA-N 2 0 256.393 2.678 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000843340193 631931370 /nfs/dbraw/zinc/93/13/70/631931370.db2.gz OCPFUCMVJVVXDZ-YNEHKIRRSA-N 2 0 279.815 2.521 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000843340795 631931376 /nfs/dbraw/zinc/93/13/76/631931376.db2.gz FEEWQKRJFNPJIJ-AWEZNQCLSA-N 2 0 279.432 2.535 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843340566 631931391 /nfs/dbraw/zinc/93/13/91/631931391.db2.gz BVLCOQPDRRVJSW-LLVKDONJSA-N 2 0 256.415 2.926 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843341019 631931418 /nfs/dbraw/zinc/93/14/18/631931418.db2.gz BMMMIGZGIUWCJL-ZDUSSCGKSA-N 2 0 250.386 2.865 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843342332 631932118 /nfs/dbraw/zinc/93/21/18/631932118.db2.gz KLDRHAKPZZKJFR-CYBMUJFWSA-N 2 0 277.412 2.815 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843341969 631932160 /nfs/dbraw/zinc/93/21/60/631932160.db2.gz YVKFVSKQCJECOF-QLFBSQMISA-N 2 0 292.398 2.572 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000843342256 631932186 /nfs/dbraw/zinc/93/21/86/631932186.db2.gz PASUYOVQOBTXBI-CYBMUJFWSA-N 2 0 277.412 2.815 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCCCC[NH3+])c(OC)c1 ZINC000843342306 631932464 /nfs/dbraw/zinc/93/24/64/631932464.db2.gz JRKYFBLRRNKLKF-ZDUSSCGKSA-N 2 0 280.412 2.874 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000843342452 631932672 /nfs/dbraw/zinc/93/26/72/631932672.db2.gz LWQYGNSVMYKWNN-BRWVUGGUSA-N 2 0 288.435 2.952 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843347622 631934484 /nfs/dbraw/zinc/93/44/84/631934484.db2.gz XOFJKHPPLNTGHU-JTQLQIEISA-N 2 0 277.239 2.787 20 0 CFADRP C[N@H+](CCCc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000843354660 631935410 /nfs/dbraw/zinc/93/54/10/631935410.db2.gz AWBKAURTGHECRK-UHFFFAOYSA-N 2 0 264.388 2.960 20 0 CFADRP Fc1ccc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843358163 631936525 /nfs/dbraw/zinc/93/65/25/631936525.db2.gz GVXONUXPFTZUMR-ZDUSSCGKSA-N 2 0 262.372 2.615 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)nc1 ZINC000843358072 631937504 /nfs/dbraw/zinc/93/75/04/631937504.db2.gz ZOBFPYMGFNPUHW-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843386512 631942262 /nfs/dbraw/zinc/94/22/62/631942262.db2.gz JPMBYXOWYFMTOC-ZIAGYGMSSA-N 2 0 293.842 2.947 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843382407 631942540 /nfs/dbraw/zinc/94/25/40/631942540.db2.gz OTNQPZVULXCYEK-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843386509 631942694 /nfs/dbraw/zinc/94/26/94/631942694.db2.gz JPMBYXOWYFMTOC-UONOGXRCSA-N 2 0 293.842 2.947 20 0 CFADRP c1csc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000843385381 631942875 /nfs/dbraw/zinc/94/28/75/631942875.db2.gz GJFMXBJBSQBAFQ-CQSZACIVSA-N 2 0 264.438 2.612 20 0 CFADRP CC[N@H+](CCCC1CC[NH2+]CC1)CCc1ccccn1 ZINC000844221307 632136735 /nfs/dbraw/zinc/13/67/35/632136735.db2.gz CDVQNVUMSIJLDM-UHFFFAOYSA-N 2 0 275.440 2.726 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Br)nc1 ZINC000844919345 632335544 /nfs/dbraw/zinc/33/55/44/632335544.db2.gz FOGMXWRECVEHLT-SNVBAGLBSA-N 2 0 298.228 2.624 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cnn1-c1ccccc1 ZINC000844923847 632337923 /nfs/dbraw/zinc/33/79/23/632337923.db2.gz UQGSLQGBYFDVQO-AWEZNQCLSA-N 2 0 298.434 2.960 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846035439 632619022 /nfs/dbraw/zinc/61/90/22/632619022.db2.gz HRWXMHSAQZDAPK-CRAIPNDOSA-N 2 0 290.451 2.747 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@]1(F)Cl ZINC000846037301 632620127 /nfs/dbraw/zinc/62/01/27/632620127.db2.gz LPBCJSMOTDZOIK-RFGFWPKPSA-N 2 0 274.811 2.908 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@H](c2ccccc2)CO1 ZINC000846219173 632665985 /nfs/dbraw/zinc/66/59/85/632665985.db2.gz IYWUGOAKCYINJI-WBVHZDCISA-N 2 0 276.424 2.968 20 0 CFADRP CCN(CC)C(=O)C1([NH2+]CCCCCC[NH3+])CCCCC1 ZINC000846221445 632667482 /nfs/dbraw/zinc/66/74/82/632667482.db2.gz KCGFUAABDDWWCH-UHFFFAOYSA-N 2 0 297.487 2.666 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000817892003 632717980 /nfs/dbraw/zinc/71/79/80/632717980.db2.gz IPDVIRVSVONMPV-KZNAEPCWSA-N 2 0 282.387 2.763 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000817892678 632718047 /nfs/dbraw/zinc/71/80/47/632718047.db2.gz OQUSZEGSBVOCIK-AYOQOUSVSA-N 2 0 298.430 2.577 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817891547 632718301 /nfs/dbraw/zinc/71/83/01/632718301.db2.gz CRZRQOWLDVNRTG-BRSBDYLESA-N 2 0 288.435 2.539 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000817890701 632718438 /nfs/dbraw/zinc/71/84/38/632718438.db2.gz XMUUWMXRTDHWAW-JFIYKMOQSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817892081 632718905 /nfs/dbraw/zinc/71/89/05/632718905.db2.gz QKHBLQMJEUQXFH-MJBXVCDLSA-N 2 0 289.423 2.590 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817897586 632721511 /nfs/dbraw/zinc/72/15/11/632721511.db2.gz SOERENCHNKJBRI-WFASDCNBSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]C1 ZINC000817899222 632722855 /nfs/dbraw/zinc/72/28/55/632722855.db2.gz FPVKNOTVMFEKTO-WOSRLPQWSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1ccccc1 ZINC000817900558 632724388 /nfs/dbraw/zinc/72/43/88/632724388.db2.gz NIXATMIOUVHEQL-QAPCUYQASA-N 2 0 283.419 2.647 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900250 632724666 /nfs/dbraw/zinc/72/46/66/632724666.db2.gz LQQORKIYFXFJBS-VXLLPVPCSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817901475 632725655 /nfs/dbraw/zinc/72/56/55/632725655.db2.gz VXJZFPLZSAPFAH-ZACQAIPSSA-N 2 0 286.350 2.594 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817905795 632727904 /nfs/dbraw/zinc/72/79/04/632727904.db2.gz SXUHKXUJAIQMSK-XJKCOSOUSA-N 2 0 282.403 2.745 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000817905859 632728377 /nfs/dbraw/zinc/72/83/77/632728377.db2.gz OSUZJINLIAINLF-GWCFXTLKSA-N 2 0 288.794 2.620 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000817905906 632728467 /nfs/dbraw/zinc/72/84/67/632728467.db2.gz VKGHGNKCUWVPSC-UOJCXKCYSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817905419 632728481 /nfs/dbraw/zinc/72/84/81/632728481.db2.gz MWACCEJJQXDPIA-AHIWAGSCSA-N 2 0 272.392 2.589 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817910794 632729686 /nfs/dbraw/zinc/72/96/86/632729686.db2.gz YIMICIYYAFDOLT-WNRNVDISSA-N 2 0 288.435 2.539 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000817910599 632729973 /nfs/dbraw/zinc/72/99/73/632729973.db2.gz WLJOQXOGSITACY-FGTMMUONSA-N 2 0 282.387 2.763 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817910492 632730242 /nfs/dbraw/zinc/73/02/42/632730242.db2.gz UFIBQVJWLICLGG-SCLBCKFNSA-N 2 0 299.418 2.541 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817910351 632730312 /nfs/dbraw/zinc/73/03/12/632730312.db2.gz SEMHXXUBKGSFHJ-BPQIPLTHSA-N 2 0 290.451 2.929 20 0 CFADRP Cc1ncc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000817916444 632732402 /nfs/dbraw/zinc/73/24/02/632732402.db2.gz ZPDKFVYOFSRWFW-GJZGRUSLSA-N 2 0 273.405 2.728 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000817922869 632735577 /nfs/dbraw/zinc/73/55/77/632735577.db2.gz NKUNPWPGBKZSCF-RCBQFDQVSA-N 2 0 296.842 2.655 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817926271 632737518 /nfs/dbraw/zinc/73/75/18/632737518.db2.gz CRZRQOWLDVNRTG-XDNAFOTISA-N 2 0 288.435 2.539 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](O)c1ccccc1 ZINC000817927523 632739026 /nfs/dbraw/zinc/73/90/26/632739026.db2.gz NMUQUTVLPAMFOE-DJIMGWMZSA-N 2 0 278.440 2.852 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1(Cl)Cl ZINC000817937624 632742741 /nfs/dbraw/zinc/74/27/41/632742741.db2.gz SUKNUSNQBMZHCZ-GARJFASQSA-N 2 0 265.228 2.820 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000817942864 632746662 /nfs/dbraw/zinc/74/66/62/632746662.db2.gz GNZJLNMRCUIMOV-ZDUSSCGKSA-N 2 0 250.386 2.736 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000817946806 632748466 /nfs/dbraw/zinc/74/84/66/632748466.db2.gz FCDRMWZOIJVDIA-FRRDWIJNSA-N 2 0 258.475 2.884 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000817948217 632749325 /nfs/dbraw/zinc/74/93/25/632749325.db2.gz GGZWWRKKXOWDDE-MRXNPFEDSA-N 2 0 270.376 2.948 20 0 CFADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947916 632749465 /nfs/dbraw/zinc/74/94/65/632749465.db2.gz FKHYITNJAMXQCV-IKGGRYGDSA-N 2 0 258.409 2.856 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)nc1 ZINC000817947733 632749804 /nfs/dbraw/zinc/74/98/04/632749804.db2.gz PMTUDQYZPPMLJI-OIKLOGQESA-N 2 0 298.228 2.765 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817954740 632754669 /nfs/dbraw/zinc/75/46/69/632754669.db2.gz ICJFNQPWAZBWGF-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2c(c1)CCCO2 ZINC000817961007 632760051 /nfs/dbraw/zinc/76/00/51/632760051.db2.gz WDVATBINQJVTMS-CQSZACIVSA-N 2 0 262.397 2.790 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)CCCO2 ZINC000817964995 632763432 /nfs/dbraw/zinc/76/34/32/632763432.db2.gz MDOUEPWSLOKNGM-HNNXBMFYSA-N 2 0 274.408 2.934 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817966954 632766147 /nfs/dbraw/zinc/76/61/47/632766147.db2.gz AKCSRGACSCOISG-QGZVFWFLSA-N 2 0 286.419 2.972 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000817968776 632767595 /nfs/dbraw/zinc/76/75/95/632767595.db2.gz MGROIUMKGTUMBX-XJKSGUPXSA-N 2 0 292.423 2.634 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000817970052 632768316 /nfs/dbraw/zinc/76/83/16/632768316.db2.gz KHHMDARPDFQEJN-SLEUVZQESA-N 2 0 250.361 2.783 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H](C)C[NH3+])ccc1OC ZINC000817969907 632768783 /nfs/dbraw/zinc/76/87/83/632768783.db2.gz HYGQAVAJGHZQGP-UONOGXRCSA-N 2 0 293.455 2.535 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817969427 632768797 /nfs/dbraw/zinc/76/87/97/632768797.db2.gz UWBHZOYOKMKLLA-ZYHUDNBSSA-N 2 0 298.228 2.637 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817970347 632768855 /nfs/dbraw/zinc/76/88/55/632768855.db2.gz RSRMILZACPVYDT-IMJJTQAJSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccnc1Cl ZINC000817976117 632774415 /nfs/dbraw/zinc/77/44/15/632774415.db2.gz GKSQIEULONHAJW-PWSUYJOCSA-N 2 0 265.788 2.528 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976973 632775372 /nfs/dbraw/zinc/77/53/72/632775372.db2.gz YAEBNCYTFJCTFB-CVEARBPZSA-N 2 0 256.393 2.714 20 0 CFADRP CCCCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000817980572 632777006 /nfs/dbraw/zinc/77/70/06/632777006.db2.gz CIGRYWBUZUBFOH-CABCVRRESA-N 2 0 270.461 2.950 20 0 CFADRP CCCCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000817980573 632777169 /nfs/dbraw/zinc/77/71/69/632777169.db2.gz CIGRYWBUZUBFOH-GJZGRUSLSA-N 2 0 270.461 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccnc(Cl)c1 ZINC000817983228 632780113 /nfs/dbraw/zinc/78/01/13/632780113.db2.gz ZUNMOXVGRDNQOC-JBLDHEPKSA-N 2 0 253.777 2.513 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984139 632780970 /nfs/dbraw/zinc/78/09/70/632780970.db2.gz OBCVGKUIEKYFJC-ZDUSSCGKSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccnc1Cl)CC[NH2+]CC2 ZINC000818339834 632832266 /nfs/dbraw/zinc/83/22/66/632832266.db2.gz DZWIQQMTHLYNIS-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000818940819 632911431 /nfs/dbraw/zinc/91/14/31/632911431.db2.gz GPHQYLWIGPGDCX-INIZCTEOSA-N 2 0 270.461 2.780 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]CC2(O)CCCCC2)c1 ZINC000818952955 632914802 /nfs/dbraw/zinc/91/48/02/632914802.db2.gz DNAFBKUFBSEAHX-UHFFFAOYSA-N 2 0 276.424 2.533 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000818959874 632915666 /nfs/dbraw/zinc/91/56/66/632915666.db2.gz VFZDIODDJKNXTJ-FUHWJXTLSA-N 2 0 290.451 2.822 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000818968996 632917432 /nfs/dbraw/zinc/91/74/32/632917432.db2.gz IPJPKPFHHBGMCF-INIZCTEOSA-N 2 0 276.424 2.573 20 0 CFADRP C[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)C[NH+]1CCCCC1 ZINC000818969110 632917805 /nfs/dbraw/zinc/91/78/05/632917805.db2.gz LDIHDWSCYVRZSG-RHSMWYFYSA-N 2 0 294.414 2.571 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000818990113 632924297 /nfs/dbraw/zinc/92/42/97/632924297.db2.gz UIXXTOLOQAGHTG-MRXNPFEDSA-N 2 0 296.842 2.695 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2C)CC1 ZINC000818991083 632925383 /nfs/dbraw/zinc/92/53/83/632925383.db2.gz VUCJMDZJUMGJOA-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000819102048 632965164 /nfs/dbraw/zinc/96/51/64/632965164.db2.gz GHUDHYHMLVAAIN-HOCLYGCPSA-N 2 0 278.440 2.594 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000819105470 632966343 /nfs/dbraw/zinc/96/63/43/632966343.db2.gz MQVGDUAWBSOLPU-ALKREAHSSA-N 2 0 298.430 2.946 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000819115929 632973261 /nfs/dbraw/zinc/97/32/61/632973261.db2.gz QRZMUEDEFLXSIC-YCXXCVGLSA-N 2 0 288.435 2.633 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000819185203 633003928 /nfs/dbraw/zinc/00/39/28/633003928.db2.gz MGGIIHGGTUTNAT-HTWSVDAQSA-N 2 0 290.451 2.738 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000819185401 633005188 /nfs/dbraw/zinc/00/51/88/633005188.db2.gz OGDWMSGGKSXOHC-VJFUWPCTSA-N 2 0 290.451 2.738 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000819333632 633088995 /nfs/dbraw/zinc/08/89/95/633088995.db2.gz NPLCAFVTHZVBAH-SFHVURJKSA-N 2 0 290.451 2.884 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819366418 633132743 /nfs/dbraw/zinc/13/27/43/633132743.db2.gz PNAHHNHKIVRVED-CZUORRHYSA-N 2 0 296.842 2.695 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848559816 633289172 /nfs/dbraw/zinc/28/91/72/633289172.db2.gz ZZZWWWKQDAEAFA-XPKDYRNWSA-N 2 0 264.388 2.687 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000848718387 633323754 /nfs/dbraw/zinc/32/37/54/633323754.db2.gz LXBJHWCOVGIKCH-ZACQAIPSSA-N 2 0 287.451 2.823 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000848720216 633324916 /nfs/dbraw/zinc/32/49/16/633324916.db2.gz UBVTWHDYDFKWGR-SJORKVTESA-N 3 0 281.488 2.892 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000857254241 635956960 /nfs/dbraw/zinc/95/69/60/635956960.db2.gz XHWYKVQPTOLYHY-MXWKQRLJSA-N 2 0 265.228 2.691 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000857252660 635957207 /nfs/dbraw/zinc/95/72/07/635957207.db2.gz HVCQWWWTOOLVAP-MXWKQRLJSA-N 2 0 265.228 2.691 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC1CCC1 ZINC000848982925 633415502 /nfs/dbraw/zinc/41/55/02/633415502.db2.gz IHDQTVOAQGUJIB-UHFFFAOYSA-N 2 0 288.439 2.695 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+](CC)CC ZINC000848984058 633416401 /nfs/dbraw/zinc/41/64/01/633416401.db2.gz JDKFAVSIHZVMRN-KBPBESRZSA-N 2 0 270.465 2.655 20 0 CFADRP C[C@H](CNC(=[NH2+])NC1CCCCCC1)[NH+]1CCCCC1 ZINC000848995639 633451410 /nfs/dbraw/zinc/45/14/10/633451410.db2.gz XXUBVBGJTUBKBD-CQSZACIVSA-N 2 0 280.460 2.698 20 0 CFADRP COc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000848995322 633451456 /nfs/dbraw/zinc/45/14/56/633451456.db2.gz FKMITEXCZYRGIR-CYBMUJFWSA-N 2 0 290.411 2.506 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000849004769 633455611 /nfs/dbraw/zinc/45/56/11/633455611.db2.gz YNSRWYSBCHLETI-GFCCVEGCSA-N 2 0 274.412 2.582 20 0 CFADRP CCNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849007853 633457286 /nfs/dbraw/zinc/45/72/86/633457286.db2.gz XWTDASYIEPXYHI-GOEBONIOSA-N 2 0 290.455 2.886 20 0 CFADRP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849025970 633466978 /nfs/dbraw/zinc/46/69/78/633466978.db2.gz GNLIBOALRVIJAA-OAHLLOKOSA-N 2 0 280.460 2.698 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000849028042 633469231 /nfs/dbraw/zinc/46/92/31/633469231.db2.gz YWSRLVMIGFPECH-HNNXBMFYSA-N 2 0 274.412 2.806 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C2CCC2)CCC1 ZINC000849039435 633475459 /nfs/dbraw/zinc/47/54/59/633475459.db2.gz YGCHWWQXGPTLBU-OAHLLOKOSA-N 2 0 292.471 2.555 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000849041340 633476881 /nfs/dbraw/zinc/47/68/81/633476881.db2.gz QLQFHYRFKQNQGF-CQSZACIVSA-N 2 0 274.412 2.663 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 ZINC000849061569 633482426 /nfs/dbraw/zinc/48/24/26/633482426.db2.gz OGSZLURWMWZKQE-CABCVRRESA-N 2 0 282.476 2.799 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849076447 633483885 /nfs/dbraw/zinc/48/38/85/633483885.db2.gz MLVNSBLGZGRTOP-GOEBONIOSA-N 2 0 294.487 2.944 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C(C)C)C(C)C ZINC000849089051 633484708 /nfs/dbraw/zinc/48/47/08/633484708.db2.gz MNGDIZPOVWBDSV-AWEZNQCLSA-N 2 0 282.476 2.513 20 0 CFADRP Cc1cccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925486549 633794785 /nfs/dbraw/zinc/79/47/85/633794785.db2.gz RNDSJYJZGJMRTL-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP COc1cncc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000850029920 633795289 /nfs/dbraw/zinc/79/52/89/633795289.db2.gz DNWQCHCIYZVNCP-HNNXBMFYSA-N 2 0 291.439 2.834 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cnc(C)n1C)CCC2 ZINC000850239329 633906714 /nfs/dbraw/zinc/90/67/14/633906714.db2.gz HFDVIIBBFSITSN-LBPRGKRZSA-N 2 0 276.409 2.661 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000850448940 633998491 /nfs/dbraw/zinc/99/84/91/633998491.db2.gz SKSZKFHVGAXKQN-CQSZACIVSA-N 2 0 286.419 2.924 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)CC(C)(C)C ZINC000850500544 634019963 /nfs/dbraw/zinc/01/99/63/634019963.db2.gz HQHCZSPMUWRIJD-GJZGRUSLSA-N 2 0 271.493 2.673 20 0 CFADRP C[C@H]([NH2+][C@H]1C=CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000850512053 634024753 /nfs/dbraw/zinc/02/47/53/634024753.db2.gz VAIMWIYJFWPHSO-HOCLYGCPSA-N 2 0 274.408 2.996 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1SCCS1 ZINC000853023021 634879182 /nfs/dbraw/zinc/87/91/82/634879182.db2.gz KOELXKSRSQEOLI-OLZOCXBDSA-N 2 0 286.510 2.647 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000853248070 634951059 /nfs/dbraw/zinc/95/10/59/634951059.db2.gz AHJFKZUZUFASOH-CYBMUJFWSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221146 635260864 /nfs/dbraw/zinc/26/08/64/635260864.db2.gz HFBYJYGDJXJAKH-DCGLDWPTSA-N 2 0 272.392 2.589 20 0 CFADRP O[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000854229349 635266196 /nfs/dbraw/zinc/26/61/96/635266196.db2.gz LULFRWDDTDEOOQ-OBVSXPTNSA-N 2 0 286.419 2.675 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925488940 635547275 /nfs/dbraw/zinc/54/72/75/635547275.db2.gz HFHTXIBFOUAWIC-GDBMZVCRSA-N 2 0 256.393 2.591 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000925489566 635689070 /nfs/dbraw/zinc/68/90/70/635689070.db2.gz ZIWMJPIGMFOSBW-QWHCGFSZSA-N 2 0 256.459 2.625 20 0 CFADRP Cc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)on1 ZINC000925491827 636019995 /nfs/dbraw/zinc/01/99/95/636019995.db2.gz GIBZNGCDJTYDKO-OAHLLOKOSA-N 2 0 259.353 2.553 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857846227 636030524 /nfs/dbraw/zinc/03/05/24/636030524.db2.gz ADCUAZANZCQSQK-HOCLYGCPSA-N 2 0 290.455 2.889 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccnc(F)c2)C1 ZINC000858098054 636124332 /nfs/dbraw/zinc/12/43/32/636124332.db2.gz FZENSGGHEOETON-AWEZNQCLSA-N 2 0 279.403 2.822 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858099578 636125012 /nfs/dbraw/zinc/12/50/12/636125012.db2.gz RAXFONZYSXIOKY-UHFFFAOYSA-N 2 0 279.403 2.822 20 0 CFADRP C[N@@H+]1CC[C@H](Nc2c[nH+]ccc2-n2cccn2)CC1(C)C ZINC000858155485 636142719 /nfs/dbraw/zinc/14/27/19/636142719.db2.gz KCDFYKJGSIEDMM-ZDUSSCGKSA-N 2 0 285.395 2.552 20 0 CFADRP CC(C)[C@H](CNc1cc[nH+]c(CO)c1)[NH+]1CCCCCC1 ZINC000858337980 636199364 /nfs/dbraw/zinc/19/93/64/636199364.db2.gz RIQBAZNKZDPSKE-KRWDZBQOSA-N 2 0 291.439 2.886 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]c(CO)c1 ZINC000858350922 636203284 /nfs/dbraw/zinc/20/32/84/636203284.db2.gz CRZIBUYUHNAWNX-CQSZACIVSA-N 2 0 277.412 2.640 20 0 CFADRP CC1(C)C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000158849383 650238663 /nfs/dbraw/zinc/23/86/63/650238663.db2.gz YCNHYHMLXADOTJ-AGUYFDCRSA-N 2 0 268.470 2.735 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cccs3)CC[C@@H]21 ZINC000158897471 650241089 /nfs/dbraw/zinc/24/10/89/650241089.db2.gz WCOVJSFIXRZRTM-ZFWWWQNUSA-N 2 0 264.438 2.707 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859076761 636442701 /nfs/dbraw/zinc/44/27/01/636442701.db2.gz LUXFRLUXAPTUNM-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP CO[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000859211808 636505307 /nfs/dbraw/zinc/50/53/07/636505307.db2.gz AKKXFHPODFQLHE-DLBZAZTESA-N 2 0 276.424 2.748 20 0 CFADRP CO[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000859211813 636505851 /nfs/dbraw/zinc/50/58/51/636505851.db2.gz AKKXFHPODFQLHE-SJORKVTESA-N 2 0 276.424 2.748 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000859212944 636506971 /nfs/dbraw/zinc/50/69/71/636506971.db2.gz PGJAFJWOOGQWBO-IBGZPJMESA-N 2 0 298.430 2.914 20 0 CFADRP CCOCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214996 636508791 /nfs/dbraw/zinc/50/87/91/636508791.db2.gz SYHOHNHEZRMYKX-UHFFFAOYSA-N 2 0 264.413 2.607 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000859861366 636728463 /nfs/dbraw/zinc/72/84/63/636728463.db2.gz GTSRFPFXXULJCU-RDJZCZTQSA-N 2 0 282.472 2.591 20 0 CFADRP CC[N@H+](CCC(OC)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859998144 636758102 /nfs/dbraw/zinc/75/81/02/636758102.db2.gz XLVPHABDWJFRMD-UHFFFAOYSA-N 2 0 294.439 2.579 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@@H]1CCC=CO1)C(C)C ZINC000194502240 636786034 /nfs/dbraw/zinc/78/60/34/636786034.db2.gz AHSDBLNXELFNNZ-HNNXBMFYSA-N 2 0 254.418 2.778 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000188960003 650353187 /nfs/dbraw/zinc/35/31/87/650353187.db2.gz OBFMHNPAWCYZJE-CYBMUJFWSA-N 2 0 267.392 2.821 20 0 CFADRP C[N@H+](CC1=Cc2ccccc2OC1)C1CCC([NH3+])CC1 ZINC000863642178 637722731 /nfs/dbraw/zinc/72/27/31/637722731.db2.gz USXANSZCHBSAEA-UHFFFAOYSA-N 2 0 272.392 2.664 20 0 CFADRP C[NH2+]C[C@@H](O)c1cccc(-c2ccc(CC[NH+](C)C)cc2)c1 ZINC000863712877 637752849 /nfs/dbraw/zinc/75/28/49/637752849.db2.gz BTAATDOLHDWIGQ-LJQANCHMSA-N 2 0 298.430 2.711 20 0 CFADRP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C2(CCC2)CO1 ZINC000864049280 637843273 /nfs/dbraw/zinc/84/32/73/637843273.db2.gz DFTAJBWBZHHOET-GFCCVEGCSA-N 2 0 292.448 2.537 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000864054819 637849541 /nfs/dbraw/zinc/84/95/41/637849541.db2.gz BKNUGAAOYQQGFS-AEFFLSMTSA-N 2 0 299.462 2.777 20 0 CFADRP CCOc1cc(F)cc(C[NH2+]CCCC[NH+](C)C)c1 ZINC000865436138 638333750 /nfs/dbraw/zinc/33/37/50/638333750.db2.gz UXRQHPCLXMEJEC-UHFFFAOYSA-N 2 0 268.376 2.656 20 0 CFADRP CCOc1cc(F)cc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000865450269 638342721 /nfs/dbraw/zinc/34/27/21/638342721.db2.gz NJNYXYRKYWXXHW-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC000865616101 638463408 /nfs/dbraw/zinc/46/34/08/638463408.db2.gz GPGNUPUCPSQKAH-AOOOYVTPSA-N 2 0 288.222 2.818 20 0 CFADRP Cn1ccnc1[C@@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865642494 638482681 /nfs/dbraw/zinc/48/26/81/638482681.db2.gz YJIYOLCPURIPJX-SNVBAGLBSA-N 2 0 296.296 2.828 20 0 CFADRP CN(CC[N@H+](C)C1CC1)c1cc[nH+]cc1C(F)(F)F ZINC000865681960 638509071 /nfs/dbraw/zinc/50/90/71/638509071.db2.gz CRRUNRUCGWLURN-UHFFFAOYSA-N 2 0 273.302 2.631 20 0 CFADRP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000865717530 638532531 /nfs/dbraw/zinc/53/25/31/638532531.db2.gz CZPRPVOUZKCFCI-GOSISDBHSA-N 2 0 288.435 2.667 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000865717179 638532664 /nfs/dbraw/zinc/53/26/64/638532664.db2.gz RLWCVOQSCINTND-FMKPAKJESA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000865744171 638548691 /nfs/dbraw/zinc/54/86/91/638548691.db2.gz NXIAVWCPCAVOEH-QLFBSQMISA-N 2 0 266.429 2.551 20 0 CFADRP CN1Cc2ccccc2[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865806982 638585221 /nfs/dbraw/zinc/58/52/21/638585221.db2.gz VOABEMVMGUCSQF-NVXWUHKLSA-N 2 0 287.451 2.636 20 0 CFADRP CC[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865873706 638633165 /nfs/dbraw/zinc/63/31/65/638633165.db2.gz HAMLHCXUWKZVGS-LSDHHAIUSA-N 2 0 282.472 2.923 20 0 CFADRP C(C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C[NH+]1CCCCC1 ZINC000866219137 638772905 /nfs/dbraw/zinc/77/29/05/638772905.db2.gz HGVFEIRSYJXPDG-SJORKVTESA-N 2 0 280.456 2.800 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000866228475 638774679 /nfs/dbraw/zinc/77/46/79/638774679.db2.gz HPFXZDQBMNFUAH-WBVHZDCISA-N 2 0 272.436 3.000 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cccc(C)c2)C1 ZINC000866236228 638776586 /nfs/dbraw/zinc/77/65/86/638776586.db2.gz ATLAEBVRLRMIPC-RDJZCZTQSA-N 2 0 260.425 2.857 20 0 CFADRP CCOC(=O)C1(C)CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000866289463 638789847 /nfs/dbraw/zinc/78/98/47/638789847.db2.gz HBEVHCUOYWYEGM-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C1CC1 ZINC000866369527 638806773 /nfs/dbraw/zinc/80/67/73/638806773.db2.gz LSEXMIAWQCWUSA-SJORKVTESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000866372426 638807728 /nfs/dbraw/zinc/80/77/28/638807728.db2.gz GEJZDKXZHFAYRP-RDJZCZTQSA-N 2 0 275.440 2.724 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866378453 638809460 /nfs/dbraw/zinc/80/94/60/638809460.db2.gz REDCAOPEULJFDU-IDQHFDBOSA-N 2 0 292.398 2.921 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866378456 638809598 /nfs/dbraw/zinc/80/95/98/638809598.db2.gz REDCAOPEULJFDU-SGALNCENSA-N 2 0 292.398 2.921 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000866397656 638814369 /nfs/dbraw/zinc/81/43/69/638814369.db2.gz IJBTUQCOOHNAHG-WBVHZDCISA-N 2 0 275.440 2.724 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000866467895 638826242 /nfs/dbraw/zinc/82/62/42/638826242.db2.gz TYBRSEGWEQIYTF-IAGOWNOFSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000866467933 638826253 /nfs/dbraw/zinc/82/62/53/638826253.db2.gz UXTMYGQZCWMMSE-UHFFFAOYSA-N 3 0 295.515 2.959 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)c1cnn(C)c1 ZINC000866467429 638826261 /nfs/dbraw/zinc/82/62/61/638826261.db2.gz HSJJAZPSTWPBAS-KRWDZBQOSA-N 2 0 292.471 2.971 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000866467661 638826302 /nfs/dbraw/zinc/82/63/02/638826302.db2.gz NCCMGBOLXAMKNK-DOTOQJQBSA-N 3 0 281.488 2.569 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000866469916 638826593 /nfs/dbraw/zinc/82/65/93/638826593.db2.gz PWCKPTZLPDTJKK-MRXNPFEDSA-N 2 0 290.455 2.818 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000866469346 638826736 /nfs/dbraw/zinc/82/67/36/638826736.db2.gz LRMXRDALPDZRCB-MRXNPFEDSA-N 2 0 290.455 2.887 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516362 638834543 /nfs/dbraw/zinc/83/45/43/638834543.db2.gz PZARHWPREXIGAM-FHERZECASA-N 2 0 278.444 2.514 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)no1 ZINC000866516944 638834565 /nfs/dbraw/zinc/83/45/65/638834565.db2.gz DXTVTNRGTUFNOH-DNOWBOINSA-N 2 0 265.401 2.897 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000866527401 638835181 /nfs/dbraw/zinc/83/51/81/638835181.db2.gz HQADJARFIJWCLX-ZBFHGGJFSA-N 2 0 280.456 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC23CCOCC3)[C@@H](C)C1 ZINC000866527682 638835609 /nfs/dbraw/zinc/83/56/09/638835609.db2.gz MHGTZZVPISMYGM-XHSDSOJGSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCSCCC(F)(F)F)CC[N@@H+]1C ZINC000866543709 638839854 /nfs/dbraw/zinc/83/98/54/638839854.db2.gz UWUIIPGFNYZZBN-WDEREUQCSA-N 2 0 284.391 2.744 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000866701720 638867543 /nfs/dbraw/zinc/86/75/43/638867543.db2.gz NEAUOPSQHUPDHU-MRXNPFEDSA-N 2 0 280.387 2.798 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707831 638868726 /nfs/dbraw/zinc/86/87/26/638868726.db2.gz XBMZNYITIKLSJE-XJKSGUPXSA-N 2 0 261.413 2.840 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC1CC[NH+](C)CC1 ZINC000866717890 638870090 /nfs/dbraw/zinc/87/00/90/638870090.db2.gz SPXJCTSRKLUADH-QGZVFWFLSA-N 3 0 295.515 2.676 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc2cc[nH]c2c1 ZINC000866718124 638870182 /nfs/dbraw/zinc/87/01/82/638870182.db2.gz XEGHURSJIWIUDO-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2CCCCCCC2)CC1 ZINC000191387446 650496096 /nfs/dbraw/zinc/49/60/96/650496096.db2.gz MFNRVBNCXQXZIR-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870911192 641118653 /nfs/dbraw/zinc/11/86/53/641118653.db2.gz WNJNDXFAOCLHCY-SHTZXODSSA-N 2 0 289.423 2.513 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871359483 641304392 /nfs/dbraw/zinc/30/43/92/641304392.db2.gz IGMZZXFJIQMAKM-TUBUQKNSSA-N 2 0 297.487 2.532 20 0 CFADRP C(C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[NH+]1CCCCC1 ZINC000872018721 641549113 /nfs/dbraw/zinc/54/91/13/641549113.db2.gz PJRJYHNAZVDHJK-MRXNPFEDSA-N 2 0 280.456 2.944 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872022329 641553928 /nfs/dbraw/zinc/55/39/28/641553928.db2.gz XJSRNTZRGDCGPY-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H](CCC(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000872053303 641586783 /nfs/dbraw/zinc/58/67/83/641586783.db2.gz IPTPHVKLLZIDBX-LBPRGKRZSA-N 2 0 264.335 2.959 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000872079186 641612474 /nfs/dbraw/zinc/61/24/74/641612474.db2.gz WDTGFDHXZQEXSA-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(O)ccc1F ZINC000872080389 641613391 /nfs/dbraw/zinc/61/33/91/641613391.db2.gz WKEXQXKCBFJSMO-CHWSQXEVSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000872088892 641622450 /nfs/dbraw/zinc/62/24/50/641622450.db2.gz WJFJJDKZSYOCEZ-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCOC1 ZINC000872088758 641622468 /nfs/dbraw/zinc/62/24/68/641622468.db2.gz PYVGCFRAZOVZNJ-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000872109045 641639718 /nfs/dbraw/zinc/63/97/18/641639718.db2.gz GMBSJWCUUPOBTQ-CWRNSKLLSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(Nc3ccccc3)C2)[C@@H](C)C1 ZINC000872132927 641660128 /nfs/dbraw/zinc/66/01/28/641660128.db2.gz LWSOCOLELBNUAU-KUQKPQIMSA-N 2 0 287.451 2.949 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)C1 ZINC000872143415 641670409 /nfs/dbraw/zinc/67/04/09/641670409.db2.gz RXMSJXJXLMJDGT-XHSDSOJGSA-N 2 0 280.456 2.513 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143669 641670558 /nfs/dbraw/zinc/67/05/58/641670558.db2.gz VXRWDNJIXSMZJW-IKGGRYGDSA-N 2 0 292.467 2.657 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCc2ccsc2)C[C@@H]1C(F)(F)F ZINC000872151188 641673792 /nfs/dbraw/zinc/67/37/92/641673792.db2.gz JHEDAUBCWJKWHO-RYUDHWBXSA-N 2 0 292.370 2.750 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000872146516 641674234 /nfs/dbraw/zinc/67/42/34/641674234.db2.gz PNRODUOQFZUVRV-KRWDZBQOSA-N 2 0 293.430 2.504 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000872146554 641674531 /nfs/dbraw/zinc/67/45/31/641674531.db2.gz QTUNLLQEIJEZPH-KRWDZBQOSA-N 3 0 293.499 2.717 20 0 CFADRP Fc1ccc(O[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000872146523 641674542 /nfs/dbraw/zinc/67/45/42/641674542.db2.gz PPTZVTNQSNFCSN-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154895 641676139 /nfs/dbraw/zinc/67/61/39/641676139.db2.gz DQPJSSRWWVMCDP-QWRGUYRKSA-N 2 0 287.329 2.751 20 0 CFADRP COCCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158938 641678752 /nfs/dbraw/zinc/67/87/52/641678752.db2.gz ZMGGNZLEYURADH-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000872227177 641709991 /nfs/dbraw/zinc/70/99/91/641709991.db2.gz BAAQQGPOYKIMBJ-CGZBRXJRSA-N 2 0 294.414 2.712 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282036 641739352 /nfs/dbraw/zinc/73/93/52/641739352.db2.gz ZPJSTQLLGRLFOG-WBVHZDCISA-N 2 0 280.456 2.894 20 0 CFADRP c1cc(NC2CC[NH+](CC3CC3)CC2)c(C2CC2)c[nH+]1 ZINC000872416866 641802546 /nfs/dbraw/zinc/80/25/46/641802546.db2.gz ZVMHOJLJAUJDMB-UHFFFAOYSA-N 2 0 271.408 2.667 20 0 CFADRP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872469032 641821923 /nfs/dbraw/zinc/82/19/23/641821923.db2.gz ILKJIJIVWGCMPD-AWEZNQCLSA-N 2 0 259.397 2.880 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000872475203 641825228 /nfs/dbraw/zinc/82/52/28/641825228.db2.gz MAJIBYCEEVGDQY-KGLIPLIRSA-N 2 0 259.397 2.666 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000872475209 641825241 /nfs/dbraw/zinc/82/52/41/641825241.db2.gz MAJIBYCEEVGDQY-ZIAGYGMSSA-N 2 0 259.397 2.666 20 0 CFADRP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]cc2C2CC2)CCO1 ZINC000872604318 641873310 /nfs/dbraw/zinc/87/33/10/641873310.db2.gz CQFKYCOSTKTWCS-HNNXBMFYSA-N 2 0 289.423 2.506 20 0 CFADRP c1c(C[NH2+]CCc2ccccc2)sc2c1C[NH2+]CC2 ZINC000873212225 642069804 /nfs/dbraw/zinc/06/98/04/642069804.db2.gz WVISLWGPGNLYSS-UHFFFAOYSA-N 2 0 272.417 2.726 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000873216419 642071616 /nfs/dbraw/zinc/07/16/16/642071616.db2.gz RPYBUSPSAMEJDP-IECFSIQFSA-N 2 0 285.435 2.834 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873217911 642071925 /nfs/dbraw/zinc/07/19/25/642071925.db2.gz UKMQMXNXEHNINV-RYPNDVFKSA-N 2 0 254.393 2.777 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000873219535 642072628 /nfs/dbraw/zinc/07/26/28/642072628.db2.gz KERJLTGUISKDMC-NNCLKIPCSA-N 3 0 293.499 2.760 20 0 CFADRP C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000873219882 642072776 /nfs/dbraw/zinc/07/27/76/642072776.db2.gz ASKISHFMMNULDX-QAVQXKDTSA-N 2 0 280.362 2.956 20 0 CFADRP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000873220829 642073986 /nfs/dbraw/zinc/07/39/86/642073986.db2.gz UTPWVAKWRLGPHM-LLVKDONJSA-N 2 0 281.469 2.918 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000873220629 642074164 /nfs/dbraw/zinc/07/41/64/642074164.db2.gz PUDKPKMUZYUFQN-STQMWFEESA-N 2 0 264.388 2.907 20 0 CFADRP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873222419 642074851 /nfs/dbraw/zinc/07/48/51/642074851.db2.gz RKAWFUDHCCBZRX-ZRMMWKCHSA-N 2 0 262.372 2.817 20 0 CFADRP C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000873221988 642075131 /nfs/dbraw/zinc/07/51/31/642075131.db2.gz VUKPKKZMTFPSOH-GFCCVEGCSA-N 2 0 258.365 2.911 20 0 CFADRP c1c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC000873222022 642075291 /nfs/dbraw/zinc/07/52/91/642075291.db2.gz XDYIICGKNAMIKB-AAEUAGOBSA-N 2 0 294.489 2.579 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222789 642077006 /nfs/dbraw/zinc/07/70/06/642077006.db2.gz CHCZJGXTWCZPDI-AWEZNQCLSA-N 2 0 298.434 2.658 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000873223493 642077043 /nfs/dbraw/zinc/07/70/43/642077043.db2.gz OWBLDCNDQKDGBV-AEFFLSMTSA-N 3 0 295.515 2.674 20 0 CFADRP COCCC1([NH2+]Cc2cccc(C)c2C)CC[NH2+]CC1 ZINC000873224606 642077941 /nfs/dbraw/zinc/07/79/41/642077941.db2.gz HQGJZYLEBNJVRI-UHFFFAOYSA-N 2 0 276.424 2.552 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000873223896 642078324 /nfs/dbraw/zinc/07/83/24/642078324.db2.gz UESYSQMZIMAORQ-QGZVFWFLSA-N 2 0 290.407 2.612 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000873227693 642079586 /nfs/dbraw/zinc/07/95/86/642079586.db2.gz MROIKJUFBBEQLN-KEYYUXOJSA-N 2 0 292.398 2.667 20 0 CFADRP Cc1csc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000873226813 642080145 /nfs/dbraw/zinc/08/01/45/642080145.db2.gz BXJCLUGNCXISEX-MRVWCRGKSA-N 2 0 279.453 2.629 20 0 CFADRP COc1ccsc1C[N@H+](C)CCCCCC[NH3+] ZINC000873231441 642084919 /nfs/dbraw/zinc/08/49/19/642084919.db2.gz JGQWDXPUGKRNQA-UHFFFAOYSA-N 2 0 256.415 2.708 20 0 CFADRP Cc1cccc2ncc(C[N@H+](C)CCCCCC[NH3+])n21 ZINC000873231424 642085352 /nfs/dbraw/zinc/08/53/52/642085352.db2.gz IQVOZZVIJZDKPJ-UHFFFAOYSA-N 2 0 274.412 2.594 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC2=CCCOC2)C1)C1CCCC1 ZINC000873232290 642086903 /nfs/dbraw/zinc/08/69/03/642086903.db2.gz OKMAVPBTDIIMAJ-MAUKXSAKSA-N 2 0 292.467 2.953 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCCN(Cc2csnn2)C1)C1CCCC1 ZINC000873232668 642087158 /nfs/dbraw/zinc/08/71/58/642087158.db2.gz VNFAFTFQCTVNJM-DOMZBBRYSA-N 2 0 294.468 2.658 20 0 CFADRP [NH3+][C@H](CC[NH2+][C@H]1CC[C@@H]1C1CC1)Cc1ccccc1 ZINC000873233907 642087235 /nfs/dbraw/zinc/08/72/35/642087235.db2.gz AWHIJLVUGABBCY-ZACQAIPSSA-N 2 0 258.409 2.725 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c2c(c1)C[NH2+]CC2 ZINC000873236627 642088776 /nfs/dbraw/zinc/08/87/76/642088776.db2.gz YPSRVIGBXBDGOG-SJORKVTESA-N 2 0 256.393 2.611 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccnc(Cl)c1 ZINC000873239784 642089393 /nfs/dbraw/zinc/08/93/93/642089393.db2.gz CRIGSFXTFHWQRP-GVXVVHGQSA-N 2 0 267.804 2.903 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000873243748 642091676 /nfs/dbraw/zinc/09/16/76/642091676.db2.gz MSBUZXXOIVJUEE-BXUZGUMPSA-N 2 0 279.453 2.785 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])c[nH]c2cc1F ZINC000873247564 642093989 /nfs/dbraw/zinc/09/39/89/642093989.db2.gz PLVGDEHHJOYLLW-LRDDRELGSA-N 2 0 289.398 2.875 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H]3CCC[C@@H]3[NH3+])c[nH]c2cc1F ZINC000873246986 642094014 /nfs/dbraw/zinc/09/40/14/642094014.db2.gz GKNKJXIVZCRDLX-GJZGRUSLSA-N 2 0 275.371 2.627 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873248491 642095420 /nfs/dbraw/zinc/09/54/20/642095420.db2.gz BNIAEXNKHSDCBD-GMXVVIOVSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248711 642095671 /nfs/dbraw/zinc/09/56/71/642095671.db2.gz FAZHSDCKVVAQNS-ORQFMDKSSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873249305 642095956 /nfs/dbraw/zinc/09/59/56/642095956.db2.gz KNKHEGXNTIIDBU-UTJXIGIESA-N 2 0 292.398 2.620 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1OC ZINC000873248583 642095962 /nfs/dbraw/zinc/09/59/62/642095962.db2.gz GRSBBMKQRSLZGJ-DYEKYZERSA-N 2 0 280.412 2.870 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873249480 642096086 /nfs/dbraw/zinc/09/60/86/642096086.db2.gz AUVTVPIBXHCWRH-MNOVXSKESA-N 2 0 284.391 2.650 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Br)cs1 ZINC000873250964 642096469 /nfs/dbraw/zinc/09/64/69/642096469.db2.gz SELBQRKDBKNCHN-MRTMQBJTSA-N 2 0 289.242 2.899 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CC3 ZINC000873251757 642097739 /nfs/dbraw/zinc/09/77/39/642097739.db2.gz NXSNWDFUBHCSBM-MJBXVCDLSA-N 2 0 283.419 2.661 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000873251493 642098003 /nfs/dbraw/zinc/09/80/03/642098003.db2.gz WBMWDTLPEZFYHN-DIOULYMOSA-N 2 0 278.827 2.988 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[C@@H]([NH3+])C3)oc21 ZINC000873252677 642098984 /nfs/dbraw/zinc/09/89/84/642098984.db2.gz VKSSXIVINOPDCQ-GMXVVIOVSA-N 2 0 274.364 2.829 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253906 642100179 /nfs/dbraw/zinc/10/01/79/642100179.db2.gz GZEOCIOXUFENOR-ZMLRMANQSA-N 2 0 267.442 2.963 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255416 642100710 /nfs/dbraw/zinc/10/07/10/642100710.db2.gz GCPVTNDSMQZAIL-UMVBOHGHSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000873254763 642101101 /nfs/dbraw/zinc/10/11/01/642101101.db2.gz BWSOIUGLFBHJCA-XNJGSVPQSA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873256153 642101692 /nfs/dbraw/zinc/10/16/92/642101692.db2.gz KNKHEGXNTIIDBU-PYTWLRIVSA-N 2 0 292.398 2.620 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256327 642101846 /nfs/dbraw/zinc/10/18/46/642101846.db2.gz LTKABAKWQYKLDB-FEJXCRPKSA-N 2 0 274.408 2.514 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000873258846 642103225 /nfs/dbraw/zinc/10/32/25/642103225.db2.gz VSXILWUGHCNIJV-BHDSKKPTSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000873258264 642103406 /nfs/dbraw/zinc/10/34/06/642103406.db2.gz ZEVCWZYEMUBATI-NHCYSSNCSA-N 2 0 292.814 2.615 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259410 642104295 /nfs/dbraw/zinc/10/42/95/642104295.db2.gz DPAQIDAPWRTUJM-XQLPTFJDSA-N 2 0 262.397 2.721 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1sccc1Br ZINC000873259158 642104568 /nfs/dbraw/zinc/10/45/68/642104568.db2.gz YIEXZSLNHVLHLK-CIUDSAMLSA-N 2 0 289.242 2.899 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000873259370 642104630 /nfs/dbraw/zinc/10/46/30/642104630.db2.gz CWCNJGBUWHKRLD-LUYZLQTOSA-N 2 0 276.428 2.645 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261029 642105441 /nfs/dbraw/zinc/10/54/41/642105441.db2.gz KSGZOBBAHYJZKT-RVMXOQNASA-N 2 0 280.437 2.938 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000873263091 642106508 /nfs/dbraw/zinc/10/65/08/642106508.db2.gz FYTRINMTFKIBPG-TWHJKIGZSA-N 2 0 250.430 2.931 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873262272 642106624 /nfs/dbraw/zinc/10/66/24/642106624.db2.gz WSHBODXVEOQXIJ-LUYZLQTOSA-N 2 0 259.397 2.571 20 0 CFADRP C[C@@H]1CC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)C1 ZINC000873265161 642108009 /nfs/dbraw/zinc/10/80/09/642108009.db2.gz USBCDAFOYXNKQM-LXFSFDBISA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CC[NH2+]CC1 ZINC000873267498 642109778 /nfs/dbraw/zinc/10/97/78/642109778.db2.gz FBPVSFSFNDEOEK-RDTXWAMCSA-N 2 0 272.436 2.985 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C1CC[NH2+]CC1 ZINC000873267781 642110136 /nfs/dbraw/zinc/11/01/36/642110136.db2.gz JKTFBCTYJROSLZ-MNOVXSKESA-N 2 0 267.804 2.774 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269982 642112009 /nfs/dbraw/zinc/11/20/09/642112009.db2.gz NMANNEYZAIMAEZ-IAQYHMDHSA-N 2 0 292.398 2.799 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000873269181 642112079 /nfs/dbraw/zinc/11/20/79/642112079.db2.gz NITVDTXJDIFLTA-WBMJQRKESA-N 2 0 279.403 2.896 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)oc1C ZINC000873270763 642112726 /nfs/dbraw/zinc/11/27/26/642112726.db2.gz BQJOVPPUUZESLT-NWDGAFQWSA-N 2 0 250.386 2.935 20 0 CFADRP C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)C1CC[NH2+]CC1 ZINC000873271047 642112919 /nfs/dbraw/zinc/11/29/19/642112919.db2.gz DDXYZUOGUCRNDX-IIYDPXPESA-N 2 0 258.409 2.898 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccnc1Cl ZINC000873272137 642113628 /nfs/dbraw/zinc/11/36/28/642113628.db2.gz PINKMVNAUBKVHY-WDEREUQCSA-N 2 0 267.804 2.774 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000873281477 642117375 /nfs/dbraw/zinc/11/73/75/642117375.db2.gz JJJQNKGSSJHWIH-GFCCVEGCSA-N 2 0 284.469 2.889 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NCc1ccc(C(F)(F)F)s1 ZINC000873283173 642117837 /nfs/dbraw/zinc/11/78/37/642117837.db2.gz ZSIZGEPTVBGHSY-RKDXNWHRSA-N 2 0 264.316 2.736 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NCc1ccc(C(F)(F)F)s1 ZINC000873283171 642118412 /nfs/dbraw/zinc/11/84/12/642118412.db2.gz ZSIZGEPTVBGHSY-IUCAKERBSA-N 2 0 264.316 2.736 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873284996 642119482 /nfs/dbraw/zinc/11/94/82/642119482.db2.gz WRYNYXSQZKCWPP-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873289649 642122284 /nfs/dbraw/zinc/12/22/84/642122284.db2.gz KCZQHSXQETYCHK-JSGCOSHPSA-N 2 0 280.437 2.557 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(F)c1 ZINC000873290164 642122732 /nfs/dbraw/zinc/12/27/32/642122732.db2.gz OGOUSBDZSUAJFD-XJKSGUPXSA-N 2 0 292.398 2.635 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000873290000 642122867 /nfs/dbraw/zinc/12/28/67/642122867.db2.gz MXIRWFIDCWODDI-GOEBONIOSA-N 2 0 280.456 2.704 20 0 CFADRP CC1(C)CCC[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290370 642122960 /nfs/dbraw/zinc/12/29/60/642122960.db2.gz CYJFYMRGMODUHI-HUUCEWRRSA-N 2 0 280.456 2.704 20 0 CFADRP CCCC[C@@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291778 642123691 /nfs/dbraw/zinc/12/36/91/642123691.db2.gz XSKYDVOUFZMCTA-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873292128 642123814 /nfs/dbraw/zinc/12/38/14/642123814.db2.gz ZXFFRPMTFMFQRE-ZIAGYGMSSA-N 2 0 294.464 2.866 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291265 642124101 /nfs/dbraw/zinc/12/41/01/642124101.db2.gz IVZJNEPIHYYKHB-WCXIOVBPSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1C ZINC000873293790 642125077 /nfs/dbraw/zinc/12/50/77/642125077.db2.gz PFUQZJFOWCUUIL-WCVJEAGWSA-N 2 0 280.456 2.559 20 0 CFADRP CSC(C)(C)CC[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000876721227 642983264 /nfs/dbraw/zinc/98/32/64/642983264.db2.gz NORLNGGMBREYEQ-UHFFFAOYSA-N 2 0 288.501 2.561 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876774563 643004023 /nfs/dbraw/zinc/00/40/23/643004023.db2.gz ZJKWGZNOGKYCNJ-SHTZXODSSA-N 2 0 289.423 2.513 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1(C)CCCC1 ZINC000876810763 643020900 /nfs/dbraw/zinc/02/09/00/643020900.db2.gz DJVWDGZOLGWDRD-BZUAXINKSA-N 2 0 280.456 2.750 20 0 CFADRP CCCCC[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000876904988 643058655 /nfs/dbraw/zinc/05/86/55/643058655.db2.gz BSKDOIHFKZKNFT-AWEZNQCLSA-N 2 0 270.461 2.780 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000876942790 643073561 /nfs/dbraw/zinc/07/35/61/643073561.db2.gz FTTZIMUCRPMTEE-KSMMKXTCSA-N 2 0 290.388 2.641 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000877012421 643104648 /nfs/dbraw/zinc/10/46/48/643104648.db2.gz TYGJBBRIHFUBAH-KZNAEPCWSA-N 2 0 293.499 2.737 20 0 CFADRP C(C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C[C@H]1CCO1 ZINC000877077184 643138743 /nfs/dbraw/zinc/13/87/43/643138743.db2.gz YTFDJUIXSZURMA-JCYILVPMSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877113963 643157811 /nfs/dbraw/zinc/15/78/11/643157811.db2.gz IKSQJUZXKOXYBR-MOENNCHZSA-N 2 0 279.255 2.890 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@H]2CC2(Cl)Cl)CCCC1 ZINC000877348608 643245422 /nfs/dbraw/zinc/24/54/22/643245422.db2.gz KHYBBQRRRPFVEC-LLVKDONJSA-N 2 0 279.255 2.892 20 0 CFADRP C[NH+](C)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877461513 643282056 /nfs/dbraw/zinc/28/20/56/643282056.db2.gz BPZNJKWGWGHFDA-SJLPKXTDSA-N 2 0 287.451 2.506 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089140185 650828505 /nfs/dbraw/zinc/82/85/05/650828505.db2.gz CJPRAPGHTUWYBS-DGCLKSJQSA-N 2 0 284.350 2.895 20 0 CFADRP CCC[C@@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000877525281 643329627 /nfs/dbraw/zinc/32/96/27/643329627.db2.gz XVXQNTNCYPQCCI-KRWDZBQOSA-N 2 0 278.440 2.995 20 0 CFADRP CO[C@](C)(C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000877525112 643330007 /nfs/dbraw/zinc/33/00/07/643330007.db2.gz REROHEGSLKDQBK-GOSISDBHSA-N 2 0 290.451 2.995 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc(Cl)c1N)C1CC1 ZINC000877577981 643375246 /nfs/dbraw/zinc/37/52/46/643375246.db2.gz PROHPCQAPFTUDG-UHFFFAOYSA-N 2 0 281.831 2.886 20 0 CFADRP COCC[N@@H+](Cc1ccccc1C)CC1CC[NH+](C)CC1 ZINC000877665188 643441385 /nfs/dbraw/zinc/44/13/85/643441385.db2.gz KSYAGHIXLZAXET-UHFFFAOYSA-N 2 0 290.451 2.785 20 0 CFADRP COCC[N@@H+](Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000877665453 643441809 /nfs/dbraw/zinc/44/18/09/643441809.db2.gz WJMUTOXSYWFPDD-UHFFFAOYSA-N 2 0 294.414 2.616 20 0 CFADRP Cc1c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)ccnc1F ZINC000877683516 643452377 /nfs/dbraw/zinc/45/23/77/643452377.db2.gz CXDKCQBYAUTWKB-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(F)nc1)CC2 ZINC000877684400 643453330 /nfs/dbraw/zinc/45/33/30/643453330.db2.gz OEKPMSJMGQFQDO-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000877698584 643460410 /nfs/dbraw/zinc/46/04/10/643460410.db2.gz YYVHVJJNDXEDMD-GJZGRUSLSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000877698802 643461579 /nfs/dbraw/zinc/46/15/79/643461579.db2.gz YWNKSKXFYUZKRA-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP CO[C@H](C[NH2+]C1CCC(C)([NH+](C)C)CC1)CC(C)C ZINC000877711621 643478891 /nfs/dbraw/zinc/47/88/91/643478891.db2.gz ROLSZWPZCXFIPM-PCKAHOCUSA-N 2 0 270.461 2.900 20 0 CFADRP COCC[C@@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718648 643482144 /nfs/dbraw/zinc/48/21/44/643482144.db2.gz OARUNGRPXQIBDI-MRXNPFEDSA-N 2 0 290.451 2.665 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718371 643482154 /nfs/dbraw/zinc/48/21/54/643482154.db2.gz JVIAETZVPXLGAB-CVEARBPZSA-N 2 0 290.451 2.663 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccc(F)cc1 ZINC000877738766 643503469 /nfs/dbraw/zinc/50/34/69/643503469.db2.gz CYYRLWRFMSGVFS-FRFSOERESA-N 2 0 276.399 2.955 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@@H]21 ZINC000877743379 643515453 /nfs/dbraw/zinc/51/54/53/643515453.db2.gz VJWZAWZUJBJSPV-RDJZCZTQSA-N 2 0 288.435 2.870 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCC4)CC[C@H]21 ZINC000877743297 643515828 /nfs/dbraw/zinc/51/58/28/643515828.db2.gz VFAHRNASFPSXSK-FUHWJXTLSA-N 2 0 270.420 2.701 20 0 CFADRP Cc1nccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000877767681 643546772 /nfs/dbraw/zinc/54/67/72/643546772.db2.gz STKBSASWYIXEJB-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP Cc1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)no1 ZINC000877767592 643547091 /nfs/dbraw/zinc/54/70/91/643547091.db2.gz OXVJARSQJCGLKM-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000877968641 643671117 /nfs/dbraw/zinc/67/11/17/643671117.db2.gz OWOWNSYIJWLSOL-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP C(CC1CC1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878015822 643693058 /nfs/dbraw/zinc/69/30/58/643693058.db2.gz KICDSMLHMABAOZ-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000878049947 643713510 /nfs/dbraw/zinc/71/35/10/643713510.db2.gz OZBXMBFTPHQLPC-OKZBNKHCSA-N 2 0 294.483 2.999 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878134067 643754265 /nfs/dbraw/zinc/75/42/65/643754265.db2.gz OQJLWRLNBJWKLJ-DLBZAZTESA-N 2 0 292.467 2.896 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878133445 643754496 /nfs/dbraw/zinc/75/44/96/643754496.db2.gz JVBFBKMQNIYTBL-IRXDYDNUSA-N 2 0 292.467 2.753 20 0 CFADRP C([C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1)[NH+]1CCCCC1 ZINC000878133446 643754665 /nfs/dbraw/zinc/75/46/65/643754665.db2.gz JVBFBKMQNIYTBL-SJORKVTESA-N 2 0 292.467 2.753 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878156660 643764476 /nfs/dbraw/zinc/76/44/76/643764476.db2.gz NMFSYNGHLLQJQB-IRXDYDNUSA-N 2 0 292.467 2.752 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878159840 643768047 /nfs/dbraw/zinc/76/80/47/643768047.db2.gz XJVAZRFDTNORNJ-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@@H]1C ZINC000878162462 643769814 /nfs/dbraw/zinc/76/98/14/643769814.db2.gz GEXYPGVITCPOLS-QUSNUVHPSA-N 2 0 280.456 2.749 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCOC(F)(F)F)CC1 ZINC000878164175 643770881 /nfs/dbraw/zinc/77/08/81/643770881.db2.gz AIMAJLNJYYBRBW-UHFFFAOYSA-N 2 0 282.350 2.719 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878164401 643771424 /nfs/dbraw/zinc/77/14/24/643771424.db2.gz GNLKPXSRFOLKLA-INIZCTEOSA-N 2 0 280.456 2.894 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878167695 643773820 /nfs/dbraw/zinc/77/38/20/643773820.db2.gz XXNMGSHBWSVINA-GJZGRUSLSA-N 2 0 282.472 2.854 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)O3)CC[C@@H]21 ZINC000878197505 643789818 /nfs/dbraw/zinc/78/98/18/643789818.db2.gz NKZUTRYAZSSCQZ-OAGGEKHMSA-N 2 0 280.456 2.750 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CC4(CCC4)C3)CC[C@H]21 ZINC000878198167 643789995 /nfs/dbraw/zinc/78/99/95/643789995.db2.gz UGNYUXUKVFQOHE-JKSUJKDBSA-N 2 0 262.441 2.983 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)O2)[C@H](C)C1 ZINC000878258845 643811270 /nfs/dbraw/zinc/81/12/70/643811270.db2.gz VVQHNRCEPTYLTH-PMPSAXMXSA-N 2 0 280.456 2.750 20 0 CFADRP C=C/C=C\CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000878447383 643899530 /nfs/dbraw/zinc/89/95/30/643899530.db2.gz MCGPKNURTIADAX-TZNMXKOXSA-N 2 0 280.456 2.845 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878550605 643938116 /nfs/dbraw/zinc/93/81/16/643938116.db2.gz ZLIUMQUALOLTEF-HNNXBMFYSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCSC(C)(C)C)C2)C1 ZINC000878644854 643971745 /nfs/dbraw/zinc/97/17/45/643971745.db2.gz CXMIGKKCGBLPLJ-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCC(C)(C)O3)C2)C1 ZINC000878651596 643975404 /nfs/dbraw/zinc/97/54/04/643975404.db2.gz FEDKEPXUMMWXRI-WBVHZDCISA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878662572 643981753 /nfs/dbraw/zinc/98/17/53/643981753.db2.gz QRGFYHHSWYJJAT-HZPDHXFCSA-N 2 0 278.440 2.506 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSC(F)(F)F)[C@@H](C)C1 ZINC000246932612 650888786 /nfs/dbraw/zinc/88/87/86/650888786.db2.gz HFOCAQPYOQMVFY-VHSXEESVSA-N 2 0 270.364 2.559 20 0 CFADRP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)CC(C)(C)C ZINC000878994321 644103281 /nfs/dbraw/zinc/10/32/81/644103281.db2.gz WSISVGFRZQFYPB-GOEBONIOSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000879250088 644195013 /nfs/dbraw/zinc/19/50/13/644195013.db2.gz MBWWURUBYXPPID-AWEZNQCLSA-N 2 0 277.412 2.852 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCCCCCO)CC1 ZINC000879286783 644207378 /nfs/dbraw/zinc/20/73/78/644207378.db2.gz GNQOIBQWBVLXPR-UHFFFAOYSA-N 2 0 270.461 2.735 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(CCSc3ccccc3)CC[C@@H]21 ZINC000879572115 644328900 /nfs/dbraw/zinc/32/89/00/644328900.db2.gz FJOKGCWSOBGSGZ-ZBFHGGJFSA-N 2 0 276.449 2.805 20 0 CFADRP C[NH+]1CCN(C2CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC000879595050 644344220 /nfs/dbraw/zinc/34/42/20/644344220.db2.gz WAUCDDLMGTXFRY-UHFFFAOYSA-N 2 0 291.483 2.589 20 0 CFADRP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)o1 ZINC000092043460 650914494 /nfs/dbraw/zinc/91/44/94/650914494.db2.gz AQFJMNQKEWGZET-GDBMZVCRSA-N 2 0 262.397 2.813 20 0 CFADRP CC(C)C[N@H+](CCC(=O)C1CC1)CC1CC[NH+](C)CC1 ZINC000879704682 644389870 /nfs/dbraw/zinc/38/98/70/644389870.db2.gz SHGSODQJUOSYCE-UHFFFAOYSA-N 2 0 280.456 2.655 20 0 CFADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950924 644470241 /nfs/dbraw/zinc/47/02/41/644470241.db2.gz DPMWVPHHKDXDJX-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000880255056 644614926 /nfs/dbraw/zinc/61/49/26/644614926.db2.gz YNEQHFQYRKQDQC-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2CCC(C)(C)O2)CCN1c1cc[nH+]cc1 ZINC000880258597 644615924 /nfs/dbraw/zinc/61/59/24/644615924.db2.gz AXHWEYCHJHBJKK-GOEBONIOSA-N 2 0 289.423 2.550 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262651 644618693 /nfs/dbraw/zinc/61/86/93/644618693.db2.gz RHVRNYNSPOWYRO-GJZGRUSLSA-N 2 0 282.391 2.748 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452636 650940415 /nfs/dbraw/zinc/94/04/15/650940415.db2.gz UJRULYJVDSWOPL-FGTMMUONSA-N 2 0 288.435 2.843 20 0 CFADRP CC1CC[NH+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093491020 650940776 /nfs/dbraw/zinc/94/07/76/650940776.db2.gz QKUZYUZNEUUGEG-OKZBNKHCSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOC1CCCC1 ZINC000093516524 650941381 /nfs/dbraw/zinc/94/13/81/650941381.db2.gz ZCPXCFBATOATQD-LSDHHAIUSA-N 2 0 268.445 2.846 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000880471880 644726768 /nfs/dbraw/zinc/72/67/68/644726768.db2.gz AGKARSWWSGHXDA-UHFFFAOYSA-N 2 0 294.361 2.516 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000880473546 644728191 /nfs/dbraw/zinc/72/81/91/644728191.db2.gz HYIDSSTYHVLIQJ-OAHLLOKOSA-N 2 0 266.429 2.506 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094749108 650962232 /nfs/dbraw/zinc/96/22/32/650962232.db2.gz DZIQSHPPMIDAMN-OAGGEKHMSA-N 2 0 297.487 2.521 20 0 CFADRP CC[NH+](CC)C[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000249941213 650969904 /nfs/dbraw/zinc/96/99/04/650969904.db2.gz HNIIGHCFMJDNGI-HRCADAONSA-N 2 0 269.477 2.617 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000249961687 650970005 /nfs/dbraw/zinc/97/00/05/650970005.db2.gz DMSHXBZQISPAEO-OKZBNKHCSA-N 2 0 293.499 2.761 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000250340462 650973863 /nfs/dbraw/zinc/97/38/63/650973863.db2.gz CAUZWELPDLZSON-GVDBMIGSSA-N 2 0 293.499 2.761 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250666520 650977644 /nfs/dbraw/zinc/97/76/44/650977644.db2.gz ZWKOBRHWEIZJKO-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250821412 650980506 /nfs/dbraw/zinc/98/05/06/650980506.db2.gz GESZRZNBXKKFNF-RZFLPCETSA-N 2 0 291.483 2.514 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000129317702 645149932 /nfs/dbraw/zinc/14/99/32/645149932.db2.gz PWNNJDMZRPCKAC-JSGCOSHPSA-N 2 0 250.361 2.927 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882931088 645516288 /nfs/dbraw/zinc/51/62/88/645516288.db2.gz ZJRUJYPDNUBRGI-UHFFFAOYSA-N 2 0 291.439 2.717 20 0 CFADRP CCCCOCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000130645289 645543922 /nfs/dbraw/zinc/54/39/22/645543922.db2.gz JLFYOJXUEAABAG-UHFFFAOYSA-N 2 0 256.434 2.656 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)CC[C@H]2C)CC1 ZINC000883172497 645639545 /nfs/dbraw/zinc/63/95/45/645639545.db2.gz ISHOGRVTKQJCTE-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883184415 645647154 /nfs/dbraw/zinc/64/71/54/645647154.db2.gz WMHBJWFXDAHOLC-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883188697 645650340 /nfs/dbraw/zinc/65/03/40/645650340.db2.gz ORMGWWRKBPPJKF-HOTGVXAUSA-N 2 0 280.456 2.536 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883188911 645651676 /nfs/dbraw/zinc/65/16/76/645651676.db2.gz SVJAYUHQWNIACY-HNNXBMFYSA-N 2 0 288.435 2.581 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[C@H]21 ZINC000883249527 645697404 /nfs/dbraw/zinc/69/74/04/645697404.db2.gz JBUSQUHEZLGTAU-YHUYYLMFSA-N 2 0 280.456 2.654 20 0 CFADRP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)OC1 ZINC000883249415 645697527 /nfs/dbraw/zinc/69/75/27/645697527.db2.gz FRNKEKYNPLRFQP-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)C[C@]1(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883252375 645699404 /nfs/dbraw/zinc/69/94/04/645699404.db2.gz FOWXCHMGTBPNRI-MRXNPFEDSA-N 2 0 270.380 2.793 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000883256653 645701269 /nfs/dbraw/zinc/70/12/69/645701269.db2.gz DXLIYUHFZRMGNN-FRRDWIJNSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000253196395 651040170 /nfs/dbraw/zinc/04/01/70/651040170.db2.gz STDOWHVIDAJDNK-QWHCGFSZSA-N 2 0 282.815 2.636 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000883353953 645757748 /nfs/dbraw/zinc/75/77/48/645757748.db2.gz HRTLAZYCJMGFBX-RYQLBKOJSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC1(C)C ZINC000883357366 645763997 /nfs/dbraw/zinc/76/39/97/645763997.db2.gz JZLNYKPBHAYMMH-ZIAGYGMSSA-N 2 0 266.429 2.551 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883417365 645810918 /nfs/dbraw/zinc/81/09/18/645810918.db2.gz YALPBQNQDHDXQD-USXIJHARSA-N 2 0 274.408 2.577 20 0 CFADRP c1ccc2c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)nsc2c1 ZINC000883424147 645817273 /nfs/dbraw/zinc/81/72/73/645817273.db2.gz IASXHRQGZSAKLD-UHFFFAOYSA-N 2 0 287.432 2.872 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883425457 645819505 /nfs/dbraw/zinc/81/95/05/645819505.db2.gz UYMDOIRRUIQGCP-RANZSIQMSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883428300 645822562 /nfs/dbraw/zinc/82/25/62/645822562.db2.gz QPDJGLDBCKYAGH-BRWVUGGUSA-N 2 0 274.408 2.577 20 0 CFADRP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)O2)cc1 ZINC000883428434 645822777 /nfs/dbraw/zinc/82/27/77/645822777.db2.gz UFNYFLZHLGHTET-MLHJIOFPSA-N 2 0 286.419 2.591 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)O1 ZINC000883430080 645824051 /nfs/dbraw/zinc/82/40/51/645824051.db2.gz MRPJDUNLQUEEAY-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000883435050 645828731 /nfs/dbraw/zinc/82/87/31/645828731.db2.gz IYZKTPCNOQCZBP-IHRRRGAJSA-N 2 0 272.383 2.873 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000883435051 645829216 /nfs/dbraw/zinc/82/92/16/645829216.db2.gz IYZKTPCNOQCZBP-RDBSUJKOSA-N 2 0 272.383 2.873 20 0 CFADRP C[C@H]([NH3+])CN(C)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883438365 645832310 /nfs/dbraw/zinc/83/23/10/645832310.db2.gz QYRWTMVXVRJQBG-BPUTZDHNSA-N 2 0 262.397 2.576 20 0 CFADRP CO[C@]1(C(F)(F)F)CC[N@H+](CCCCCCC[NH3+])C1 ZINC000883448111 645836930 /nfs/dbraw/zinc/83/69/30/645836930.db2.gz UTRGRQZNEGGYSS-GFCCVEGCSA-N 2 0 282.350 2.549 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C(C)(C)[N@@H+]1C[C@@H]1CNCCO1 ZINC000883462595 645845851 /nfs/dbraw/zinc/84/58/51/645845851.db2.gz VALIVJOFBLWAKK-HYVNUMGLSA-N 2 0 288.435 2.631 20 0 CFADRP Fc1cccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000885921146 646769196 /nfs/dbraw/zinc/76/91/96/646769196.db2.gz UCWMLGQFNZXTDM-NSRYLSIASA-N 2 0 274.383 2.913 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000885963028 646786142 /nfs/dbraw/zinc/78/61/42/646786142.db2.gz JELZPWAMCRXEMV-UHFFFAOYSA-N 2 0 284.391 2.903 20 0 CFADRP Cc1coc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000885992974 646799723 /nfs/dbraw/zinc/79/97/23/646799723.db2.gz VSHWFGWXBHWQJG-HUUCEWRRSA-N 2 0 280.412 2.567 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886014848 646817096 /nfs/dbraw/zinc/81/70/96/646817096.db2.gz QARINRMHDRMDDI-BQLWYNFJSA-N 2 0 294.414 2.785 20 0 CFADRP C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886016519 646819149 /nfs/dbraw/zinc/81/91/49/646819149.db2.gz GLUSXDKIDRKQAD-KSZLIROESA-N 2 0 292.467 2.894 20 0 CFADRP C([C@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000886021209 646823513 /nfs/dbraw/zinc/82/35/13/646823513.db2.gz RDCQSOJSMZZKFS-JQHSSLGASA-N 2 0 292.467 2.752 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886033577 646833188 /nfs/dbraw/zinc/83/31/88/646833188.db2.gz XADKKVPVZDDQRP-BMFZPTHFSA-N 2 0 250.430 2.696 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)CO3)CC[C@@H]21 ZINC000886044292 646840019 /nfs/dbraw/zinc/84/00/19/646840019.db2.gz VIUVUJAGJROPED-IKGGRYGDSA-N 2 0 292.467 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSC(F)(F)F)[C@H](C)C1 ZINC000886069950 646853532 /nfs/dbraw/zinc/85/35/32/646853532.db2.gz MUIGUFJZUCJJHH-MNOVXSKESA-N 2 0 284.391 2.902 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000886138206 646889827 /nfs/dbraw/zinc/88/98/27/646889827.db2.gz DMPLMNFBQULQAN-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1coc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000886166512 646903811 /nfs/dbraw/zinc/90/38/11/646903811.db2.gz KMAQPHIEZUOKLZ-OAHLLOKOSA-N 2 0 262.397 2.800 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886171452 646906712 /nfs/dbraw/zinc/90/67/12/646906712.db2.gz HJRYGNKPEVNROG-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886171865 646906820 /nfs/dbraw/zinc/90/68/20/646906820.db2.gz QIXCFCFBPUKYMJ-RDJZCZTQSA-N 2 0 291.439 2.584 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCC4(CCC4)CO3)C2)C1 ZINC000886217964 646925392 /nfs/dbraw/zinc/92/53/92/646925392.db2.gz LJHSHYWGMGQIGP-FUHWJXTLSA-N 2 0 292.467 2.753 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000886220418 646926571 /nfs/dbraw/zinc/92/65/71/646926571.db2.gz HVKYGRBWHAPTJD-FUHWJXTLSA-N 2 0 292.467 2.753 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1C[C@]12CCOC2 ZINC000886319449 646967907 /nfs/dbraw/zinc/96/79/07/646967907.db2.gz FDBDNPXQBNVCAP-SJORKVTESA-N 2 0 280.456 2.611 20 0 CFADRP C[Si](C)(CC[NH+]1C[C@@H]2C[C@@H]2C1)CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886349135 646982131 /nfs/dbraw/zinc/98/21/31/646982131.db2.gz YVDOTUBHIFQRBO-GEEKYZPCSA-N 2 0 278.516 2.598 20 0 CFADRP CCN(CC)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886489410 647016961 /nfs/dbraw/zinc/01/69/61/647016961.db2.gz IKVQUJMXBDNLOD-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP CC[C@@H](C)[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525933 647029333 /nfs/dbraw/zinc/02/93/33/647029333.db2.gz BEBXDQWHRNJYJZ-KZYLPZIUSA-N 2 0 282.472 2.780 20 0 CFADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000886526321 647029642 /nfs/dbraw/zinc/02/96/42/647029642.db2.gz KFHGBGLWPNZXNL-CVEARBPZSA-N 2 0 296.455 2.574 20 0 CFADRP CCc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[nH]n1 ZINC000886526530 647029986 /nfs/dbraw/zinc/02/99/86/647029986.db2.gz NMJNSQVETNZDNG-UHFFFAOYSA-N 2 0 290.455 2.859 20 0 CFADRP CC[C@@H](CCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886530862 647031939 /nfs/dbraw/zinc/03/19/39/647031939.db2.gz RWVQILCKWMAYIY-FHERZECASA-N 2 0 268.445 2.534 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886532648 647033346 /nfs/dbraw/zinc/03/33/46/647033346.db2.gz MJDGYMWWAKOKID-QGZVFWFLSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886543931 647040853 /nfs/dbraw/zinc/04/08/53/647040853.db2.gz YBTWXKYSYBSSQS-NJAFHUGGSA-N 2 0 290.451 2.771 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886549882 647043506 /nfs/dbraw/zinc/04/35/06/647043506.db2.gz OSKUJNHDNZUDLI-UHFFFAOYSA-N 2 0 276.428 2.605 20 0 CFADRP Cc1nnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000886588173 647056214 /nfs/dbraw/zinc/05/62/14/647056214.db2.gz MGILFSIKQQAEJA-UHFFFAOYSA-N 2 0 294.468 2.733 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000886594497 647059671 /nfs/dbraw/zinc/05/96/71/647059671.db2.gz OANYSTDQZHQWRF-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP C[C@@H](O)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886603990 647063405 /nfs/dbraw/zinc/06/34/05/647063405.db2.gz ZPTKYANTPJCJGH-QQFBHYJXSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccn(C)n1 ZINC000886625246 647074496 /nfs/dbraw/zinc/07/44/96/647074496.db2.gz LQCHHUVHHNJRAU-UQPPLGOBSA-N 2 0 290.455 2.868 20 0 CFADRP Cc1[nH]c(C2CCN(CC[NH+]3CCCCC3)CC2)[nH+]c1C ZINC000886663281 647096832 /nfs/dbraw/zinc/09/68/32/647096832.db2.gz XKVUNQBIJXPHAI-UHFFFAOYSA-N 2 0 290.455 2.692 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000886723808 647123188 /nfs/dbraw/zinc/12/31/88/647123188.db2.gz MTTKNFGZDQLOKS-ZDUSSCGKSA-N 2 0 294.414 2.697 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC2(CCC2)CO1 ZINC000886730769 647124524 /nfs/dbraw/zinc/12/45/24/647124524.db2.gz LLBKGBKFQFJDFU-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000886832677 647156445 /nfs/dbraw/zinc/15/64/45/647156445.db2.gz LGIAISLVPGZCQS-ZACQAIPSSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869852 647164027 /nfs/dbraw/zinc/16/40/27/647164027.db2.gz JUILXNMOUKBZGA-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000886874171 647164981 /nfs/dbraw/zinc/16/49/81/647164981.db2.gz HZGGOPDBDGHHFU-QZTJIDSGSA-N 2 0 288.435 2.840 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132194 647222517 /nfs/dbraw/zinc/22/25/17/647222517.db2.gz ABJPBVTYYKTITM-LSDHHAIUSA-N 2 0 282.391 2.748 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000300674366 647347086 /nfs/dbraw/zinc/34/70/86/647347086.db2.gz QTSUHFNGBBOMCH-AIEDFZFUSA-N 2 0 268.470 2.781 20 0 CFADRP Cc1ncsc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925497915 647852983 /nfs/dbraw/zinc/85/29/83/647852983.db2.gz ACZBOASJSPGTRY-UONOGXRCSA-N 2 0 279.453 2.709 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)C[C@@H]([NH3+])C1 ZINC000925495267 647854013 /nfs/dbraw/zinc/85/40/13/647854013.db2.gz QCCLNDLXXSSJQW-ILXRZTDVSA-N 2 0 296.842 2.869 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925495378 647858124 /nfs/dbraw/zinc/85/81/24/647858124.db2.gz MVMWTHLHWWXDEF-BZZMCLGOSA-N 2 0 299.462 2.681 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925495923 647867225 /nfs/dbraw/zinc/86/72/25/647867225.db2.gz SRUOXTNREZIIOF-WCXIOVBPSA-N 2 0 288.435 2.740 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000925496176 647870669 /nfs/dbraw/zinc/87/06/69/647870669.db2.gz YIDJDTYOHKKUDY-RRFJBIMHSA-N 2 0 293.480 2.615 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C12CCC2 ZINC000925496797 647886705 /nfs/dbraw/zinc/88/67/05/647886705.db2.gz WILFRTLEZBPMET-DLBZAZTESA-N 2 0 285.435 2.515 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925500785 647887547 /nfs/dbraw/zinc/88/75/47/647887547.db2.gz FHLGESNMIKMLRK-OWCLPIDISA-N 2 0 258.409 2.595 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000924528859 647986168 /nfs/dbraw/zinc/98/61/68/647986168.db2.gz RICRZFUDGNOVLK-OLZOCXBDSA-N 2 0 253.390 2.836 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)C2)CO1 ZINC000924570108 647997817 /nfs/dbraw/zinc/99/78/17/647997817.db2.gz MDUSLSLMIOBYDR-MKQDKFQKSA-N 2 0 280.456 2.843 20 0 CFADRP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCC[NH+]1CCCCC1 ZINC000924578661 647999235 /nfs/dbraw/zinc/99/92/35/647999235.db2.gz OMQJCFPGZLVOOT-HOTGVXAUSA-N 2 0 270.461 2.782 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000924628207 648009671 /nfs/dbraw/zinc/00/96/71/648009671.db2.gz INMHEPAOIGGIQL-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924629211 648012420 /nfs/dbraw/zinc/01/24/20/648012420.db2.gz POZYDQWCYPPFPN-ODIFPOPNSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924631267 648013789 /nfs/dbraw/zinc/01/37/89/648013789.db2.gz FXDGDORSBJSKMG-INIZCTEOSA-N 2 0 297.531 2.919 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000924657450 648020523 /nfs/dbraw/zinc/02/05/23/648020523.db2.gz CWVLEWMTYMOZCZ-QGZVFWFLSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924683144 648025640 /nfs/dbraw/zinc/02/56/40/648025640.db2.gz FKACGZCFPVKUBO-TWMKSMIVSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1OC[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000924684064 648026919 /nfs/dbraw/zinc/02/69/19/648026919.db2.gz ISSTZFYTSSFOGW-ZHCJQAHYSA-N 2 0 282.472 2.758 20 0 CFADRP CC1(C)CC2(CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CO1 ZINC000924695520 648028944 /nfs/dbraw/zinc/02/89/44/648028944.db2.gz LVPDEDFSNIBEKV-BOLLXYOYSA-N 2 0 278.440 2.551 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000924696345 648029957 /nfs/dbraw/zinc/02/99/57/648029957.db2.gz OMTSRNFLSZAOIJ-ZWKOTPCHSA-N 2 0 293.499 2.713 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924699911 648030547 /nfs/dbraw/zinc/03/05/47/648030547.db2.gz VGDJXUDQIFNLNR-QAETUUGQSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(Cl)CC1 ZINC000924704369 648031460 /nfs/dbraw/zinc/03/14/60/648031460.db2.gz NSGKHWUVUJOHGP-CYBMUJFWSA-N 2 0 296.842 2.877 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924710708 648032629 /nfs/dbraw/zinc/03/26/29/648032629.db2.gz BGQDISVULNNCLH-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCCn2ccnc2)CC1 ZINC000924732795 648038604 /nfs/dbraw/zinc/03/86/04/648038604.db2.gz PECRVWBZBDDZAY-UHFFFAOYSA-N 2 0 292.471 2.763 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924754079 648041683 /nfs/dbraw/zinc/04/16/83/648041683.db2.gz SODGOASYJOEJLT-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC000924829847 648055497 /nfs/dbraw/zinc/05/54/97/648055497.db2.gz SRKHHPCZVZEHDS-PBHICJAKSA-N 2 0 276.424 2.651 20 0 CFADRP CCC(O)(CC)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924860508 648061815 /nfs/dbraw/zinc/06/18/15/648061815.db2.gz GILMTNAYYUSUQT-CQSZACIVSA-N 2 0 278.440 2.950 20 0 CFADRP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+](CCC(C)C)CC1 ZINC000924917471 648071598 /nfs/dbraw/zinc/07/15/98/648071598.db2.gz QOCHRJVTNXWTRG-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)c1 ZINC000924957831 648080056 /nfs/dbraw/zinc/08/00/56/648080056.db2.gz IWJVWFRXKFGLGN-GJZGRUSLSA-N 2 0 290.451 2.899 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccnnc2)c1 ZINC000924958912 648080142 /nfs/dbraw/zinc/08/01/42/648080142.db2.gz NBKRGKNPTMTAHP-CQSZACIVSA-N 2 0 284.407 2.779 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924965744 648081861 /nfs/dbraw/zinc/08/18/61/648081861.db2.gz PGOJEFUVJFGMIQ-NUJGCVRESA-N 2 0 293.499 2.737 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000924965938 648082008 /nfs/dbraw/zinc/08/20/08/648082008.db2.gz ZQLVMNORMAJGMD-CQSZACIVSA-N 2 0 290.451 2.906 20 0 CFADRP CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925046313 648094137 /nfs/dbraw/zinc/09/41/37/648094137.db2.gz PIRDHAIGSBHDOI-VBQJREDUSA-N 2 0 278.440 2.806 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H]1C ZINC000925048048 648094546 /nfs/dbraw/zinc/09/45/46/648094546.db2.gz DEWXIDKAALUBCR-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)C(C)(C)CO ZINC000925050674 648095487 /nfs/dbraw/zinc/09/54/87/648095487.db2.gz UEMDPQVUQHTQTQ-HNNXBMFYSA-N 2 0 270.461 2.639 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925135387 648113903 /nfs/dbraw/zinc/11/39/03/648113903.db2.gz WDALXOXHRSRUBS-IRXDYDNUSA-N 3 0 290.455 2.578 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000925150154 648117427 /nfs/dbraw/zinc/11/74/27/648117427.db2.gz GPNXAQZWMUVPQL-AWEZNQCLSA-N 2 0 293.459 2.632 20 0 CFADRP FC(F)(F)CCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925192525 648127770 /nfs/dbraw/zinc/12/77/70/648127770.db2.gz VMJUEYUEQLVSKW-VXGBXAGGSA-N 2 0 264.335 2.935 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CCCC[C@@H]1O ZINC000925211984 648132552 /nfs/dbraw/zinc/13/25/52/648132552.db2.gz DHBXFKUOFGNWIZ-WCXIOVBPSA-N 2 0 280.456 2.534 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC2CCC1CC2 ZINC000925241205 648139861 /nfs/dbraw/zinc/13/98/61/648139861.db2.gz NPBRWFNDAWKHBD-CKUJCDMFSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)C[C@H](C)O)CC1 ZINC000925462461 648175415 /nfs/dbraw/zinc/17/54/15/648175415.db2.gz KGJVBJOCZBCZSM-HNNXBMFYSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925472129 648176995 /nfs/dbraw/zinc/17/69/95/648176995.db2.gz ASEFAWADQVRSDY-IAGOWNOFSA-N 2 0 288.435 2.971 20 0 CFADRP c1ccc(NCCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)nc1 ZINC000925481331 648180180 /nfs/dbraw/zinc/18/01/80/648180180.db2.gz XWNKSZLAQFMMJV-HNNXBMFYSA-N 2 0 288.439 2.538 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925487058 648181345 /nfs/dbraw/zinc/18/13/45/648181345.db2.gz BENKJVWLFXZRRT-XHSDSOJGSA-N 3 0 283.504 2.993 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000925489580 648182092 /nfs/dbraw/zinc/18/20/92/648182092.db2.gz KURKAXFIYWNQIZ-RRFJBIMHSA-N 2 0 258.409 2.822 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2Cc3ccccc32)C[C@@H]([NH3+])C1 ZINC000925489574 648182177 /nfs/dbraw/zinc/18/21/77/648182177.db2.gz KURKAXFIYWNQIZ-KFWWJZLASA-N 2 0 258.409 2.822 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925497210 648184387 /nfs/dbraw/zinc/18/43/87/648184387.db2.gz XTCPPQMJWNSZFG-GOSISDBHSA-N 2 0 299.462 2.920 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925497682 648184486 /nfs/dbraw/zinc/18/44/86/648184486.db2.gz YITZREQNSVWCKY-OAGGEKHMSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925499859 648185368 /nfs/dbraw/zinc/18/53/68/648185368.db2.gz BCFGCUVAOMSCHA-RCBQFDQVSA-N 2 0 276.424 2.736 20 0 CFADRP c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925505786 648188632 /nfs/dbraw/zinc/18/86/32/648188632.db2.gz WKXWDIBBXBSJEG-IAGOWNOFSA-N 2 0 258.409 2.945 20 0 CFADRP c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925505788 648188730 /nfs/dbraw/zinc/18/87/30/648188730.db2.gz WKXWDIBBXBSJEG-IRXDYDNUSA-N 2 0 258.409 2.945 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000925505880 648188807 /nfs/dbraw/zinc/18/88/07/648188807.db2.gz PAFHSLPOMGTOKE-ROUUACIJSA-N 2 0 284.403 2.790 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)COCc1ccccc1 ZINC000925508848 648190638 /nfs/dbraw/zinc/19/06/38/648190638.db2.gz SYIFHSNBVUYRIE-GDBMZVCRSA-N 2 0 276.424 2.569 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C12CCC2 ZINC000925508805 648190709 /nfs/dbraw/zinc/19/07/09/648190709.db2.gz JRAYIAMBDGRGEB-KFWWJZLASA-N 2 0 260.356 2.673 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925510998 648191302 /nfs/dbraw/zinc/19/13/02/648191302.db2.gz DHFPDPACSLHUJW-JKSUJKDBSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925511496 648191762 /nfs/dbraw/zinc/19/17/62/648191762.db2.gz NXMXFVDTZUVSKD-JFIYKMOQSA-N 2 0 289.467 2.785 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C12CCC2 ZINC000925512874 648192497 /nfs/dbraw/zinc/19/24/97/648192497.db2.gz GJGVRWYCEDPBMG-KGLIPLIRSA-N 2 0 296.361 2.690 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C12CCC2 ZINC000925512870 648192515 /nfs/dbraw/zinc/19/25/15/648192515.db2.gz GJGVRWYCEDPBMG-KBPBESRZSA-N 2 0 296.361 2.690 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000925516661 648194281 /nfs/dbraw/zinc/19/42/81/648194281.db2.gz DZHXQIFYVQQKDB-SFHVURJKSA-N 3 0 289.467 2.932 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000925518002 648195747 /nfs/dbraw/zinc/19/57/47/648195747.db2.gz CQEWEEAJYHMVSV-HOTGVXAUSA-N 2 0 298.434 2.868 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)s1 ZINC000925519733 648196728 /nfs/dbraw/zinc/19/67/28/648196728.db2.gz VTISXWMZJUFWMW-NEPJUHHUSA-N 2 0 267.442 2.756 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)c[nH]c21 ZINC000925521038 648197330 /nfs/dbraw/zinc/19/73/30/648197330.db2.gz ILWXXPBIPATOPL-JKSUJKDBSA-N 2 0 283.419 2.878 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925523768 648198184 /nfs/dbraw/zinc/19/81/84/648198184.db2.gz ZMNLVXLGNUKKCK-IAGOWNOFSA-N 2 0 282.472 2.807 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925525170 648199525 /nfs/dbraw/zinc/19/95/25/648199525.db2.gz ANKWUGWRSKWBCA-SOUVJXGZSA-N 2 0 270.461 2.933 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925528911 648201130 /nfs/dbraw/zinc/20/11/30/648201130.db2.gz BOWSIFGYXPEOHM-UPJWGTAASA-N 2 0 256.459 2.781 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOCc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925528317 648201553 /nfs/dbraw/zinc/20/15/53/648201553.db2.gz DLUSUPZFFWWDOP-CVEARBPZSA-N 2 0 276.424 2.699 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925530519 648202408 /nfs/dbraw/zinc/20/24/08/648202408.db2.gz SEVAZNKMATVPPM-BBWFWOEESA-N 2 0 290.451 2.740 20 0 CFADRP C[C@]1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCC[C@H]1O ZINC000925532032 648203235 /nfs/dbraw/zinc/20/32/35/648203235.db2.gz UNWMHISOEJLTQH-KZNAEPCWSA-N 2 0 290.451 2.997 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925543317 648208749 /nfs/dbraw/zinc/20/87/49/648208749.db2.gz RNBKIUPIXBFWKB-MLHJIOFPSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H]([NH3+])[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000925542717 648209664 /nfs/dbraw/zinc/20/96/64/648209664.db2.gz OMEUBDUNFSUEQO-HJWJTTGWSA-N 2 0 275.440 2.537 20 0 CFADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925554523 648214555 /nfs/dbraw/zinc/21/45/55/648214555.db2.gz BJERWLCAOZCOME-IRXDYDNUSA-N 2 0 292.467 2.677 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925558195 648215344 /nfs/dbraw/zinc/21/53/44/648215344.db2.gz OLCIPMMSKSEIEJ-UONOGXRCSA-N 2 0 262.422 2.768 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925558309 648215608 /nfs/dbraw/zinc/21/56/08/648215608.db2.gz QLPSQEDVLVDMCO-CVEARBPZSA-N 2 0 273.424 2.502 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925557344 648215753 /nfs/dbraw/zinc/21/57/53/648215753.db2.gz OSASUOHPYZGICD-VHDGCEQUSA-N 2 0 293.480 2.669 20 0 CFADRP CCN(CC[NH2+][C@H](CCC[NH3+])c1ccccc1)C1CC1 ZINC000925558351 648215840 /nfs/dbraw/zinc/21/58/40/648215840.db2.gz QRNJEGWIVPJMAK-QGZVFWFLSA-N 2 0 275.440 2.541 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925558652 648216449 /nfs/dbraw/zinc/21/64/49/648216449.db2.gz PYECXUFUJGJSGB-HOTGVXAUSA-N 2 0 276.424 2.829 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925578034 648224381 /nfs/dbraw/zinc/22/43/81/648224381.db2.gz YYHIMNBENRNFKM-BQJWPVKWSA-N 2 0 294.483 2.804 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925577359 648224861 /nfs/dbraw/zinc/22/48/61/648224861.db2.gz RALVFCPISXIDDH-WCVJEAGWSA-N 2 0 282.472 2.933 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cc3ccccc3o2)C12CCC2 ZINC000925579419 648225849 /nfs/dbraw/zinc/22/58/49/648225849.db2.gz FMJOZUMISUCDJE-JKSUJKDBSA-N 2 0 270.376 2.835 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCCO1 ZINC000925580089 648225946 /nfs/dbraw/zinc/22/59/46/648225946.db2.gz JRZMZVKZBYHJJF-GJZGRUSLSA-N 2 0 280.456 2.846 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(F)c1 ZINC000925581623 648226524 /nfs/dbraw/zinc/22/65/24/648226524.db2.gz UCMLVADJUUDHCH-STQMWFEESA-N 2 0 280.387 2.830 20 0 CFADRP OCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCCC1 ZINC000925581414 648226818 /nfs/dbraw/zinc/22/68/18/648226818.db2.gz ZDXWZBOAEHOIKY-IRXDYDNUSA-N 2 0 294.483 2.687 20 0 CFADRP COc1ccc(C2([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)CC2)cc1 ZINC000925583405 648227688 /nfs/dbraw/zinc/22/76/88/648227688.db2.gz DYXPXUWHNJRNIJ-GJZGRUSLSA-N 2 0 272.392 2.544 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000925585022 648227793 /nfs/dbraw/zinc/22/77/93/648227793.db2.gz RISBCHNAORFRKU-KBPBESRZSA-N 2 0 280.387 2.700 20 0 CFADRP CS[C@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925585615 648228695 /nfs/dbraw/zinc/22/86/95/648228695.db2.gz HVDOYDRSFPOZME-TZMCWYRMSA-N 2 0 252.427 2.808 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000925603935 648235297 /nfs/dbraw/zinc/23/52/97/648235297.db2.gz GLLOVZBGHJHKLC-NXEZZACHSA-N 2 0 252.324 2.825 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCN[C@H]3C)CC2)CC1 ZINC000925607450 648237873 /nfs/dbraw/zinc/23/78/73/648237873.db2.gz QDRHFYGMYBAMDA-FCCDEINASA-N 2 0 293.499 2.760 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000925608477 648238007 /nfs/dbraw/zinc/23/80/07/648238007.db2.gz YSMAXOVFDDCMIG-DLBZAZTESA-N 2 0 298.434 2.830 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000925617841 648240982 /nfs/dbraw/zinc/24/09/82/648240982.db2.gz SHNHUHIBTBLSHY-HOCLYGCPSA-N 2 0 291.439 2.537 20 0 CFADRP Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617429 648241062 /nfs/dbraw/zinc/24/10/62/648241062.db2.gz QPTVQXXYBAMFRS-DLBZAZTESA-N 2 0 288.435 2.693 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(CCO)CCCCC2)C1 ZINC000925622780 648245012 /nfs/dbraw/zinc/24/50/12/648245012.db2.gz MXTAZIGCYCJDJR-HUUCEWRRSA-N 2 0 282.472 2.815 20 0 CFADRP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c2ccccc2n1 ZINC000925622373 648245610 /nfs/dbraw/zinc/24/56/10/648245610.db2.gz KULYZPUYJFGASM-HOTGVXAUSA-N 2 0 297.402 2.603 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925626725 648246829 /nfs/dbraw/zinc/24/68/29/648246829.db2.gz SZZNPDXVLJISQK-RDBSUJKOSA-N 2 0 270.461 2.525 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925627129 648246910 /nfs/dbraw/zinc/24/69/10/648246910.db2.gz WRDNBAVRZUAUAI-HZPDHXFCSA-N 2 0 282.472 2.543 20 0 CFADRP Cc1cncc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925628990 648248974 /nfs/dbraw/zinc/24/89/74/648248974.db2.gz JHURWVWOTUYGSE-DLBZAZTESA-N 2 0 273.424 2.648 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)C12CCC2 ZINC000925629406 648249198 /nfs/dbraw/zinc/24/91/98/648249198.db2.gz LSZLNRWRADAKKK-GJZGRUSLSA-N 2 0 292.373 2.856 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925632821 648250928 /nfs/dbraw/zinc/25/09/28/648250928.db2.gz BDNQRZWNHFQBPQ-ZIAGYGMSSA-N 2 0 256.434 2.687 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925632309 648250802 /nfs/dbraw/zinc/25/08/02/648250802.db2.gz WQADNXDYOGHXEM-KGLIPLIRSA-N 2 0 280.387 2.830 20 0 CFADRP C[C@H](CCN[C@@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000925636379 648253668 /nfs/dbraw/zinc/25/36/68/648253668.db2.gz BUJXKHTVKTZMDZ-SOLBZPMBSA-N 2 0 289.467 2.929 20 0 CFADRP c1ccc2c(c1)CC([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C2 ZINC000925641355 648257009 /nfs/dbraw/zinc/25/70/09/648257009.db2.gz YTHLUIKXRAGJNS-MOPGFXCFSA-N 2 0 284.447 2.912 20 0 CFADRP C1CC1[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925641566 648257061 /nfs/dbraw/zinc/25/70/61/648257061.db2.gz ZLRKCTRKNMQYAP-OWSLCNJRSA-N 2 0 292.467 2.702 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC1(CO)CCCC1)c1ccccc1 ZINC000925640917 648257077 /nfs/dbraw/zinc/25/70/77/648257077.db2.gz KHHDPBMSCXRIAB-INIZCTEOSA-N 2 0 276.424 2.609 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[C@H]2CCCCO2)C1 ZINC000925640164 648257153 /nfs/dbraw/zinc/25/71/53/648257153.db2.gz QOVVESMHTKIZLL-RBSFLKMASA-N 2 0 268.445 2.831 20 0 CFADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO[C@@H]1C1CC1 ZINC000925642471 648258043 /nfs/dbraw/zinc/25/80/43/648258043.db2.gz TVLHHWSQIRREEU-JYYAWHABSA-N 2 0 280.456 2.687 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925649374 648261804 /nfs/dbraw/zinc/26/18/04/648261804.db2.gz JUOCYBWQEYGQTK-FUUBYGMNSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)C12CCC2 ZINC000925650410 648261811 /nfs/dbraw/zinc/26/18/11/648261811.db2.gz UUMAICWQNIQRQM-KBPBESRZSA-N 2 0 296.361 2.690 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925651237 648261857 /nfs/dbraw/zinc/26/18/57/648261857.db2.gz YUWZGLMWSKQUNF-OUAUKWLOSA-N 2 0 264.335 2.967 20 0 CFADRP C[C@@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925659035 648266476 /nfs/dbraw/zinc/26/64/76/648266476.db2.gz SIRHUCVLZKPWEA-HLLBOEOZSA-N 2 0 282.472 2.813 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925657112 648266525 /nfs/dbraw/zinc/26/65/25/648266525.db2.gz CEFQXMNPKSJFSV-OAGGEKHMSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925659036 648266696 /nfs/dbraw/zinc/26/66/96/648266696.db2.gz SIRHUCVLZKPWEA-INMHGKMJSA-N 2 0 282.472 2.813 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C12CCC2 ZINC000925661517 648268929 /nfs/dbraw/zinc/26/89/29/648268929.db2.gz VPEPMEVHWFFZIB-JKSUJKDBSA-N 2 0 269.392 2.570 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925669772 648272395 /nfs/dbraw/zinc/27/23/95/648272395.db2.gz XMELHLCDJRWHHR-HOTGVXAUSA-N 2 0 282.472 2.807 20 0 CFADRP CC(F)(F)CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925674443 648274434 /nfs/dbraw/zinc/27/44/34/648274434.db2.gz JISOEHQDELIUQJ-WOPDTQHZSA-N 2 0 260.372 2.788 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925676649 648275164 /nfs/dbraw/zinc/27/51/64/648275164.db2.gz OMFGKADKBTXYKM-NXHRZFHOSA-N 2 0 295.515 2.865 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925686304 648279452 /nfs/dbraw/zinc/27/94/52/648279452.db2.gz SXFKLCXQWJKTLW-BYNSBNAKSA-N 2 0 268.445 2.830 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925705596 648288292 /nfs/dbraw/zinc/28/82/92/648288292.db2.gz KIHJYEFTUURRJS-DVHVHUQNSA-N 2 0 260.425 2.541 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925709270 648290612 /nfs/dbraw/zinc/29/06/12/648290612.db2.gz HNIZYNNTNTXLRV-NVXWUHKLSA-N 2 0 277.456 2.642 20 0 CFADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]C1CCC(C2CCC2)CC1 ZINC000925717568 648296187 /nfs/dbraw/zinc/29/61/87/648296187.db2.gz UISBWFMIHDBABZ-HQKLNDBPSA-N 2 0 292.467 2.687 20 0 CFADRP c1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925724654 648298830 /nfs/dbraw/zinc/29/88/30/648298830.db2.gz LLPIJWSCCUOOSO-JJLPMBJISA-N 2 0 282.431 2.909 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2cccnc2c1 ZINC000925725682 648298843 /nfs/dbraw/zinc/29/88/43/648298843.db2.gz MPHRFDHAJOXRMF-SFYZZRBRSA-N 2 0 281.403 2.840 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925725671 648298922 /nfs/dbraw/zinc/29/89/22/648298922.db2.gz MMVGPCWIQJWIJO-GVDBMIGSSA-N 3 0 293.499 2.523 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000925725209 648298934 /nfs/dbraw/zinc/29/89/34/648298934.db2.gz RUFOOJZXGJKOPC-KUHUBIRLSA-N 2 0 295.430 2.510 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925734806 648302876 /nfs/dbraw/zinc/30/28/76/648302876.db2.gz VCMQURZSEPGAPH-CAOSSQGBSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925736714 648303076 /nfs/dbraw/zinc/30/30/76/648303076.db2.gz NSNQIDUYXQBIIU-RWMBFGLXSA-N 2 0 260.372 2.919 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925734808 648303150 /nfs/dbraw/zinc/30/31/50/648303150.db2.gz VCMQURZSEPGAPH-YHUYYLMFSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925734578 648303638 /nfs/dbraw/zinc/30/36/38/648303638.db2.gz AVTSIPIEICCNAR-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP COCc1cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])ccc1OC ZINC000925740495 648305427 /nfs/dbraw/zinc/30/54/27/648305427.db2.gz IIUQNRBGXQPIBA-LBPRGKRZSA-N 2 0 280.412 2.620 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000925742727 648306439 /nfs/dbraw/zinc/30/64/39/648306439.db2.gz XJVKCLKTKOMQGI-NSHDSACASA-N 2 0 289.423 2.694 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000925742726 648306717 /nfs/dbraw/zinc/30/67/17/648306717.db2.gz XJVKCLKTKOMQGI-LLVKDONJSA-N 2 0 289.423 2.694 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925766389 648312158 /nfs/dbraw/zinc/31/21/58/648312158.db2.gz JRVQJNFFLPGEAH-OIISXLGYSA-N 2 0 260.425 2.841 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1cc(C2CC2)no1 ZINC000925771294 648314403 /nfs/dbraw/zinc/31/44/03/648314403.db2.gz ARPANWSXXBNAOT-ZAQWFSBCSA-N 2 0 275.396 2.548 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)c2ccccc21 ZINC000925771723 648316140 /nfs/dbraw/zinc/31/61/40/648316140.db2.gz CRIDROVRQDIPGW-MAZHCROVSA-N 2 0 272.392 2.680 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775005 648317574 /nfs/dbraw/zinc/31/75/74/648317574.db2.gz BQPPRDUEANTLDG-DZGCQCFKSA-N 2 0 280.362 2.817 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@H]1CC2(CCC2)CO1 ZINC000925775061 648317611 /nfs/dbraw/zinc/31/76/11/648317611.db2.gz ZPCIVBNCHUHVCP-IKGGRYGDSA-N 2 0 292.467 2.704 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775956 648318714 /nfs/dbraw/zinc/31/87/14/648318714.db2.gz IOVLBWWDHMHNAY-IJLUTSLNSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779814 648319551 /nfs/dbraw/zinc/31/95/51/648319551.db2.gz BWHKDOXIKSPBPQ-UTUOFQBUSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)c1 ZINC000925781499 648320872 /nfs/dbraw/zinc/32/08/72/648320872.db2.gz FNFHDNSLXFKOMG-KBRIMQKVSA-N 2 0 258.409 2.514 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)oc21 ZINC000925790020 648324360 /nfs/dbraw/zinc/32/43/60/648324360.db2.gz FANHUXRHBOKPQE-DYEKYZERSA-N 2 0 288.391 2.948 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798469 648326225 /nfs/dbraw/zinc/32/62/25/648326225.db2.gz KVJYZPIYJHZWGH-JHJVBQTASA-N 2 0 252.427 2.953 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796904 648326465 /nfs/dbraw/zinc/32/64/65/648326465.db2.gz FVNQHHNYMYBDBU-MGPQQGTHSA-N 2 0 292.423 2.600 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799203 648327461 /nfs/dbraw/zinc/32/74/61/648327461.db2.gz NRRIBNIDUHTGOW-CPUCHLNUSA-N 2 0 258.409 2.818 20 0 CFADRP CSC1CCC(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925803382 648328306 /nfs/dbraw/zinc/32/83/06/648328306.db2.gz YTHKZWQZPGPTNG-VXGQWTEUSA-N 2 0 270.486 2.886 20 0 CFADRP CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCC[NH2+]1 ZINC000925802276 648328457 /nfs/dbraw/zinc/32/84/57/648328457.db2.gz KPDILMAVXXACCE-ZKXZWOTCSA-N 2 0 268.470 2.781 20 0 CFADRP COC[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CC1 ZINC000925806215 648329050 /nfs/dbraw/zinc/32/90/50/648329050.db2.gz BNNRAQKHKYZPPR-INIZCTEOSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)C[C@@H]([NH3+])C1 ZINC000925805360 648329139 /nfs/dbraw/zinc/32/91/39/648329139.db2.gz HQWFLDQGCGSQDN-WRWGMCAJSA-N 2 0 294.361 2.592 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804810 648329196 /nfs/dbraw/zinc/32/91/96/648329196.db2.gz MSFUFVQKPVAPGM-YJBOKZPZSA-N 2 0 298.434 2.522 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815109 648332091 /nfs/dbraw/zinc/33/20/91/648332091.db2.gz OELVJQLHPJDJPP-DOTOQJQBSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000925824608 648334398 /nfs/dbraw/zinc/33/43/98/648334398.db2.gz BLNFJXWROJIVGG-PJODJOHASA-N 2 0 290.382 2.564 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nc3c(s2)CCC3)c2ccccc21 ZINC000925829129 648336547 /nfs/dbraw/zinc/33/65/47/648336547.db2.gz BRPKNYDCHWFXIM-UKRRQHHQSA-N 2 0 299.443 2.909 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925831729 648337503 /nfs/dbraw/zinc/33/75/03/648337503.db2.gz LYSQOPYQPDUNMY-ZOLYEBIHSA-N 2 0 276.346 2.695 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cnc3ccccc3c2)C1 ZINC000925834323 648338468 /nfs/dbraw/zinc/33/84/68/648338468.db2.gz VSNBREGNHVTXAN-HOTGVXAUSA-N 2 0 269.392 2.637 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925840251 648340467 /nfs/dbraw/zinc/34/04/67/648340467.db2.gz UVYJDRNPRBAKIY-MGPQQGTHSA-N 2 0 280.362 2.765 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839583 648340642 /nfs/dbraw/zinc/34/06/42/648340642.db2.gz HSPIMYRTRJSBKF-IXYNUQLISA-N 2 0 250.430 2.933 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844992 648343159 /nfs/dbraw/zinc/34/31/59/648343159.db2.gz VZEDGIFKFKSYSD-GVDBMIGSSA-N 2 0 274.383 2.935 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1(C)C ZINC000925846593 648343228 /nfs/dbraw/zinc/34/32/28/648343228.db2.gz QWUPACWYNNDWQE-PNBKFKSVSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846037 648343233 /nfs/dbraw/zinc/34/32/33/648343233.db2.gz NKJBXQBQHITZPH-NUEKZKHPSA-N 2 0 259.397 2.573 20 0 CFADRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000925851326 648344713 /nfs/dbraw/zinc/34/47/13/648344713.db2.gz XJVNSZDMXRRZSD-OAHLLOKOSA-N 2 0 293.430 2.552 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCS1 ZINC000925861866 648347566 /nfs/dbraw/zinc/34/75/66/648347566.db2.gz UPCVKNLSRYJDRS-UXXRCYHCSA-N 2 0 268.470 2.781 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)cc(F)c1 ZINC000925877173 648352747 /nfs/dbraw/zinc/35/27/47/648352747.db2.gz NMJLCZSMOANGOF-RULNRJAQSA-N 2 0 254.324 2.743 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)c1OC ZINC000925877384 648353032 /nfs/dbraw/zinc/35/30/32/648353032.db2.gz QHIZYYWWXGJNQS-ZFWWWQNUSA-N 2 0 292.423 2.619 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000925879562 648353762 /nfs/dbraw/zinc/35/37/62/648353762.db2.gz HYVSLMINNMSMHL-FOGDFJRCSA-N 2 0 283.803 2.522 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)no1 ZINC000925881975 648354318 /nfs/dbraw/zinc/35/43/18/648354318.db2.gz LXZZQELXXYXKQU-UNEWFSDZSA-N 2 0 285.391 2.693 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000925881710 648354389 /nfs/dbraw/zinc/35/43/89/648354389.db2.gz DYYPYLUSGPJZFZ-IUIKQTSFSA-N 2 0 262.372 2.994 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)C2 ZINC000925882344 648354481 /nfs/dbraw/zinc/35/44/81/648354481.db2.gz LAMZDJLCXOEBEV-UICACZKSSA-N 2 0 258.409 2.945 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925883061 648354416 /nfs/dbraw/zinc/35/44/16/648354416.db2.gz SWDZEBKRODIHNZ-LXTVHRRPSA-N 2 0 268.445 2.543 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(F)F)C1 ZINC000925882706 648354653 /nfs/dbraw/zinc/35/46/53/648354653.db2.gz QAJJSLWUFIMLIB-MJBXVCDLSA-N 2 0 268.351 2.580 20 0 CFADRP c1ccc2c(c1)CCO[C@H]2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925882160 648354743 /nfs/dbraw/zinc/35/47/43/648354743.db2.gz YBUWADYIALZNQQ-ONYGOOLBSA-N 2 0 286.419 2.563 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888988 648356941 /nfs/dbraw/zinc/35/69/41/648356941.db2.gz YGOYNFCJLCPFDT-DZUCGIPZSA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOC2CCC2)CC1 ZINC000925895248 648358722 /nfs/dbraw/zinc/35/87/22/648358722.db2.gz XQUPQEGQMHVLCD-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926113517 648407319 /nfs/dbraw/zinc/40/73/19/648407319.db2.gz GTDNORGPTQNAMQ-ZBFHGGJFSA-N 2 0 270.461 2.638 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000926114221 648408632 /nfs/dbraw/zinc/40/86/32/648408632.db2.gz LLFSYSYSZVIOHR-CVEARBPZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](CC[NH2+]C1[C@H](C)COC[C@H]1C)[NH+]1CCCCC1 ZINC000926140601 648414494 /nfs/dbraw/zinc/41/44/94/648414494.db2.gz CYXMNEDCKRFYLK-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000926224602 648440398 /nfs/dbraw/zinc/44/03/98/648440398.db2.gz IUJOOTCIQRDKQT-NVXWUHKLSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CC23CCOCC3)CC1 ZINC000926227675 648441132 /nfs/dbraw/zinc/44/11/32/648441132.db2.gz HBVPKZZFMBIIIQ-MRXNPFEDSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[C@H]([NH2+]CCOCC[NH+](C)C)c1ncccc1Cl ZINC000926255533 648448992 /nfs/dbraw/zinc/44/89/92/648448992.db2.gz RRGSDYFXLVGLPM-AWEZNQCLSA-N 2 0 299.846 2.744 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CC(C)(C)C[NH+]3CCCC3)C2)CO1 ZINC000926275790 648453256 /nfs/dbraw/zinc/45/32/56/648453256.db2.gz QLCGFNFOEFMXQN-UQPPLGOBSA-N 2 0 280.456 2.656 20 0 CFADRP C1CC([C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]2CCOC2)C1 ZINC000926338549 648466311 /nfs/dbraw/zinc/46/63/11/648466311.db2.gz ZEYSENUAYBOJRO-AQEOSJORSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCOC(F)F)CC1 ZINC000926369418 648473993 /nfs/dbraw/zinc/47/39/93/648473993.db2.gz DYIBIICDEHDCPR-UHFFFAOYSA-N 2 0 278.387 2.716 20 0 CFADRP C[N@H+](CCCC[NH2+]C1CC2(C1)COC(C)(C)C2)C1CC1 ZINC000926558042 648532922 /nfs/dbraw/zinc/53/29/22/648532922.db2.gz FQBOPWVWLQQWET-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](C1CC1)C1CCOCC1)C1CC1 ZINC000926561027 648533498 /nfs/dbraw/zinc/53/34/98/648533498.db2.gz WOCWFYNOUAFHSB-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926562392 648534759 /nfs/dbraw/zinc/53/47/59/648534759.db2.gz AKFAQQYWJVILTP-RRQGHBQHSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000926575044 648538987 /nfs/dbraw/zinc/53/89/87/648538987.db2.gz XBJWYMSKTMSDGL-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000926573340 648539066 /nfs/dbraw/zinc/53/90/66/648539066.db2.gz LMTSBBDOEDSMJY-HUUCEWRRSA-N 2 0 290.455 2.991 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000926573364 648539432 /nfs/dbraw/zinc/53/94/32/648539432.db2.gz LWCFCGCPVUKFFH-FFHGMXDLSA-N 2 0 268.470 2.735 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000926574132 648539452 /nfs/dbraw/zinc/53/94/52/648539452.db2.gz SFTCADRGARRBAN-ZACQAIPSSA-N 2 0 282.472 2.639 20 0 CFADRP CSC1CC([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000926580463 648541230 /nfs/dbraw/zinc/54/12/30/648541230.db2.gz SUSFZEVXFROMJI-LBDPXKHJSA-N 2 0 291.464 2.558 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926605105 648550671 /nfs/dbraw/zinc/55/06/71/648550671.db2.gz AZXUMFINIFWQPP-SLTXQBBLSA-N 2 0 270.461 2.779 20 0 CFADRP COc1ccnc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000926605998 648550689 /nfs/dbraw/zinc/55/06/89/648550689.db2.gz HCTKJXSTDNPTOL-IYXRBSQSSA-N 2 0 277.412 2.614 20 0 CFADRP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926634860 648557065 /nfs/dbraw/zinc/55/70/65/648557065.db2.gz NEQMVHGVWDWHLQ-NVXWUHKLSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926645094 648560307 /nfs/dbraw/zinc/56/03/07/648560307.db2.gz NWYCQACWLDJBLO-JKSUJKDBSA-N 2 0 270.461 2.615 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926752035 648601439 /nfs/dbraw/zinc/60/14/39/648601439.db2.gz CHTNECTYPUAOEY-QGZVFWFLSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000926753840 648602710 /nfs/dbraw/zinc/60/27/10/648602710.db2.gz KNDUDOXSZBDSEU-KRWDZBQOSA-N 2 0 295.515 2.818 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000926755297 648602918 /nfs/dbraw/zinc/60/29/18/648602918.db2.gz WOBMYUFCGBLYAT-HPUBIQBYSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000926782697 648613127 /nfs/dbraw/zinc/61/31/27/648613127.db2.gz HISXERZFMIYOEF-OFQRWUPVSA-N 2 0 268.445 2.652 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926796476 648619619 /nfs/dbraw/zinc/61/96/19/648619619.db2.gz KLTUPZDDBZSEHF-JDEYZFBPSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ncco1 ZINC000926796798 648619804 /nfs/dbraw/zinc/61/98/04/648619804.db2.gz MWIBZVIHXZTKDA-DCBWTQNWSA-N 2 0 251.374 2.588 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926803852 648623026 /nfs/dbraw/zinc/62/30/26/648623026.db2.gz HAYISBPHUCYCAF-QRVBRYPASA-N 2 0 299.462 2.780 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCC1(F)F ZINC000926845161 648633387 /nfs/dbraw/zinc/63/33/87/648633387.db2.gz KVHPMAIJDUJTGB-WJLOJVBCSA-N 2 0 272.383 2.742 20 0 CFADRP C([NH2+][C@H]1CCCN2CCCC[C@@H]12)[C@@H]1CCC2(CCC2)O1 ZINC000926859539 648636197 /nfs/dbraw/zinc/63/61/97/648636197.db2.gz HVMNVNMPGWHMNX-JYJNAYRXSA-N 2 0 278.440 2.695 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000926911569 648653973 /nfs/dbraw/zinc/65/39/73/648653973.db2.gz NCJJYOOOZGLEIZ-CHWSQXEVSA-N 2 0 294.361 2.560 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000926952141 648668850 /nfs/dbraw/zinc/66/88/50/648668850.db2.gz NCGMJYIIKOCYDJ-CMPLNLGQSA-N 2 0 264.335 2.647 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927035870 648688562 /nfs/dbraw/zinc/68/85/62/648688562.db2.gz CMKOIJBQCKNIPI-UQPPLGOBSA-N 2 0 288.439 2.843 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CCOCC1 ZINC000927037251 648689473 /nfs/dbraw/zinc/68/94/73/648689473.db2.gz IOOUYWGVUNZEAA-ODIFPOPNSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC[N@@H+]1C ZINC000927115036 648717316 /nfs/dbraw/zinc/71/73/16/648717316.db2.gz KZFJLRGRNSJUBQ-KBAYOESNSA-N 2 0 288.435 2.765 20 0 CFADRP COC[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC000929289331 649024804 /nfs/dbraw/zinc/02/48/04/649024804.db2.gz VZBJHYBWDSWHSB-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H](c1ccc(F)nc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327722 649031973 /nfs/dbraw/zinc/03/19/73/649031973.db2.gz MOAXKUFDDKFOMC-ZDUSSCGKSA-N 2 0 279.403 2.945 20 0 CFADRP COC[C@@H](C[NH+]1CCC(CC[NH+](C)C)CC1)C(C)C ZINC000929327419 649031993 /nfs/dbraw/zinc/03/19/93/649031993.db2.gz JKBQARLKLZXWJP-MRXNPFEDSA-N 2 0 270.461 2.569 20 0 CFADRP CN(CCSc1ccncc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000929721961 649106231 /nfs/dbraw/zinc/10/62/31/649106231.db2.gz HUQBNFVCXISUEC-HNNXBMFYSA-N 2 0 293.480 2.980 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000929779156 649120350 /nfs/dbraw/zinc/12/03/50/649120350.db2.gz DYDUELVXNKOSFK-FIDHJVLJSA-N 2 0 282.472 2.995 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000929779163 649120589 /nfs/dbraw/zinc/12/05/89/649120589.db2.gz DYDUELVXNKOSFK-UHDSXZAQSA-N 2 0 282.472 2.995 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)CCc2cccc(F)c2)CCN1C ZINC000929783716 649121097 /nfs/dbraw/zinc/12/10/97/649121097.db2.gz ZAXKXKLMNJDNQS-XJKSGUPXSA-N 2 0 264.388 2.783 20 0 CFADRP CC[C@@H](CO)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000929842735 649136777 /nfs/dbraw/zinc/13/67/77/649136777.db2.gz UTSHBVXMYJJOFY-RDJZCZTQSA-N 2 0 282.472 2.734 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000929998017 649162424 /nfs/dbraw/zinc/16/24/24/649162424.db2.gz ALWGVWCUQASJST-UHDSXZAQSA-N 2 0 282.472 2.852 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000930601118 649284440 /nfs/dbraw/zinc/28/44/40/649284440.db2.gz FGFVXOMBSJOAOJ-LTIDMASMSA-N 2 0 280.456 2.608 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N)nc1 ZINC000931271813 649400283 /nfs/dbraw/zinc/40/02/83/649400283.db2.gz MVVPFOFMRSUBTD-UHFFFAOYSA-N 2 0 298.434 2.748 20 0 CFADRP CN1C[C@]2(C)C[NH+](CCCc3ccsc3)C[C@@]2(C)C1 ZINC000931310635 649405134 /nfs/dbraw/zinc/40/51/34/649405134.db2.gz GQULWDHCEBLYKX-HZPDHXFCSA-N 2 0 278.465 2.954 20 0 CFADRP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435053 649426599 /nfs/dbraw/zinc/42/65/99/649426599.db2.gz FKBDPZXWPNWYOQ-HRCADAONSA-N 2 0 258.409 2.940 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)C[C@@H]2C1 ZINC000931442195 649428921 /nfs/dbraw/zinc/42/89/21/649428921.db2.gz XNQSJRBPIDEGNS-CVEARBPZSA-N 2 0 269.392 2.551 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000931546607 649451219 /nfs/dbraw/zinc/45/12/19/649451219.db2.gz NDAMGAMPDXERJQ-NVXWUHKLSA-N 2 0 297.402 2.868 20 0 CFADRP COc1cccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000931546174 649451404 /nfs/dbraw/zinc/45/14/04/649451404.db2.gz JIIUNXRRRMQBEC-JKSUJKDBSA-N 2 0 274.408 2.530 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C1CC(OC(C)(C)C)C1 ZINC000931718740 649477948 /nfs/dbraw/zinc/47/79/48/649477948.db2.gz UQSLOSIPFCJVSE-ZUJMUWTESA-N 2 0 266.429 2.501 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Cc2nccs2)C1 ZINC000932197212 649562719 /nfs/dbraw/zinc/56/27/19/649562719.db2.gz DTBXBWDLQYYEIN-CABCVRRESA-N 2 0 293.480 2.882 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@H](c2ccccn2)C2CC2)[nH]1 ZINC000932386733 649590447 /nfs/dbraw/zinc/59/04/47/649590447.db2.gz UGMZPCLRBYZXCH-HNNXBMFYSA-N 2 0 256.353 2.662 20 0 CFADRP c1cc([C@@H]([NH2+]CCC[NH+]2CCCCC2)C2CC2)ccn1 ZINC000934695435 649816092 /nfs/dbraw/zinc/81/60/92/649816092.db2.gz CCYJPOAGFAOTSP-KRWDZBQOSA-N 2 0 273.424 2.998 20 0 CFADRP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305761368 651076447 /nfs/dbraw/zinc/07/64/47/651076447.db2.gz DVOSWARIUSQOMM-XJKSGUPXSA-N 2 0 292.423 2.556 20 0 CFADRP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085966 782205757 /nfs/dbraw/zinc/20/57/57/782205757.db2.gz WFVPJWBPRAULQU-HZPDHXFCSA-N 2 0 299.503 2.589 20 0 CFADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000689836070 770630531 /nfs/dbraw/zinc/63/05/31/770630531.db2.gz LQGVSCFUZJPXBL-STQMWFEESA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723922906 770714002 /nfs/dbraw/zinc/71/40/02/770714002.db2.gz QZIVOVHYSKZLJL-IJLUTSLNSA-N 2 0 268.351 2.943 20 0 CFADRP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925168 778611735 /nfs/dbraw/zinc/61/17/35/778611735.db2.gz KAYGMULSIYDBIW-AWEZNQCLSA-N 2 0 252.789 2.962 20 0 CFADRP COCC[N@H+](CCCC1CCCC1)C1CC[NH2+]CC1 ZINC001235946623 778622052 /nfs/dbraw/zinc/62/20/52/778622052.db2.gz NJMCGQGAQQCIQP-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@H](C)C1 ZINC001235821075 778567563 /nfs/dbraw/zinc/56/75/63/778567563.db2.gz ZPYGEBBSYBGZEA-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP CC1(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)CCOCC1 ZINC001207968769 769843218 /nfs/dbraw/zinc/84/32/18/769843218.db2.gz FOEQLQBCOXWFDL-UHFFFAOYSA-N 2 0 298.446 2.701 20 0 CFADRP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001208113433 769853962 /nfs/dbraw/zinc/85/39/62/769853962.db2.gz ILWMAUCBIORCOK-LSDHHAIUSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@H](CN2CCC[C@H]3CCCC[C@H]32)C1 ZINC001208612350 769911821 /nfs/dbraw/zinc/91/18/21/769911821.db2.gz MVZGFGMXFVUFEV-ARFHVFGLSA-N 2 0 250.430 2.983 20 0 CFADRP CC[NH+]1C[C@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001208743752 769935714 /nfs/dbraw/zinc/93/57/14/769935714.db2.gz YMPOLKNRRODYJW-GJZGRUSLSA-N 2 0 278.827 2.766 20 0 CFADRP C[C@@H]1CC(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)C[C@@H](C)O1 ZINC001209390814 770048911 /nfs/dbraw/zinc/04/89/11/770048911.db2.gz OBTAYNWJSCKODM-HUUCEWRRSA-N 2 0 280.456 2.608 20 0 CFADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H]1C[C@H]1C ZINC001209422227 770074367 /nfs/dbraw/zinc/07/43/67/770074367.db2.gz UEIXVSIDIKHKEO-SJORKVTESA-N 2 0 283.504 2.628 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209422009 770074665 /nfs/dbraw/zinc/07/46/65/770074665.db2.gz RKTLGASUOTWFRG-LVQVYYBASA-N 2 0 250.430 2.981 20 0 CFADRP CC[N@H+]1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC001203388422 770108455 /nfs/dbraw/zinc/10/84/55/770108455.db2.gz UQSRTISDYXPIRY-OKILXGFUSA-N 2 0 264.800 2.724 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721425264 770186754 /nfs/dbraw/zinc/18/67/54/770186754.db2.gz ZQNDUEHRJSZZJS-LLVKDONJSA-N 2 0 284.391 2.875 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+]C3CCOCC3)CC2)cc1 ZINC000397495490 770213916 /nfs/dbraw/zinc/21/39/16/770213916.db2.gz AEAJVQOPYGFGQT-UHFFFAOYSA-N 2 0 288.435 2.667 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723618183 770620510 /nfs/dbraw/zinc/62/05/10/770620510.db2.gz HWMUSEMTUBEVNS-HRCADAONSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723621908 770621647 /nfs/dbraw/zinc/62/16/47/770621647.db2.gz UNGOJMGZBLAKRI-ZMSDIMECSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000689836065 770630206 /nfs/dbraw/zinc/63/02/06/770630206.db2.gz LQGVSCFUZJPXBL-QWHCGFSZSA-N 2 0 268.445 2.700 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC000723639103 770632311 /nfs/dbraw/zinc/63/23/11/770632311.db2.gz RDHMOZOGAUUQCL-LTIDMASMSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723643793 770636285 /nfs/dbraw/zinc/63/62/85/770636285.db2.gz KZBSMQGCSGVJDD-HGHNZHKBSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723689861 770649388 /nfs/dbraw/zinc/64/93/88/770649388.db2.gz IYXZJDSZUBRWAG-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723690600 770650462 /nfs/dbraw/zinc/65/04/62/770650462.db2.gz TVQVYDHWDPTYNR-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000723687916 770650687 /nfs/dbraw/zinc/65/06/87/770650687.db2.gz ZNJOWUBGWYCLKZ-CYBMUJFWSA-N 2 0 271.364 2.512 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723695908 770651846 /nfs/dbraw/zinc/65/18/46/770651846.db2.gz QGJWXACDLFFHGV-HNNXBMFYSA-N 2 0 262.397 2.645 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000723701817 770653324 /nfs/dbraw/zinc/65/33/24/770653324.db2.gz RFCGZTPALQRFLG-SECBINFHSA-N 2 0 289.242 2.681 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723712467 770654931 /nfs/dbraw/zinc/65/49/31/770654931.db2.gz GWUNBMIWDVDLHG-ZDUSSCGKSA-N 2 0 250.411 2.579 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000723893782 770707927 /nfs/dbraw/zinc/70/79/27/770707927.db2.gz DHNLTIOXVGEGPO-VXGBXAGGSA-N 2 0 252.427 2.727 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)C[C@H]1CC[NH3+] ZINC000723891450 770708398 /nfs/dbraw/zinc/70/83/98/770708398.db2.gz OPDVLZMRSVTXMF-VXGBXAGGSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901922 770710573 /nfs/dbraw/zinc/71/05/73/770710573.db2.gz TWOUJTBPKMMKEJ-YRGRVCCFSA-N 2 0 250.361 2.803 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723909490 770711765 /nfs/dbraw/zinc/71/17/65/770711765.db2.gz YTQXTGVUWGJLGK-HZPDHXFCSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000723977456 770730396 /nfs/dbraw/zinc/73/03/96/770730396.db2.gz BHBSCBASXFFWAV-IAOVAPTHSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1COCC[N@@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286351 770906621 /nfs/dbraw/zinc/90/66/21/770906621.db2.gz GRUOXVNYQUTKDA-MRXNPFEDSA-N 2 0 288.435 2.619 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(c2cccnc2)CC1 ZINC001207287332 770908852 /nfs/dbraw/zinc/90/88/52/770908852.db2.gz BKQFWVCMUISHPE-UHFFFAOYSA-N 2 0 275.440 2.849 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cccc2C[NH3+])nc1 ZINC001167586932 770942602 /nfs/dbraw/zinc/94/26/02/770942602.db2.gz VDUGRWWNUSCZFB-AWEZNQCLSA-N 2 0 284.407 2.705 20 0 CFADRP CC1(C)CC([NH3+])CC(C)(C)N1c1cccc(C[NH3+])c1 ZINC001167625357 773196875 /nfs/dbraw/zinc/19/68/75/773196875.db2.gz WGMKNPFISFPJKR-UHFFFAOYSA-N 2 0 261.413 2.630 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721541997 775143211 /nfs/dbraw/zinc/14/32/11/775143211.db2.gz PYKVLSMNSFVLGS-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)C12CCC2 ZINC000405230945 775198620 /nfs/dbraw/zinc/19/86/20/775198620.db2.gz ARXWBEQTFSTFIT-QWHCGFSZSA-N 2 0 295.224 2.809 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](OCCC[NH+]3CCCC3)C2)cc1 ZINC001224748145 775264739 /nfs/dbraw/zinc/26/47/39/775264739.db2.gz JJAKCGBBXCBXKC-GOSISDBHSA-N 2 0 288.435 2.763 20 0 CFADRP CCCC[NH+](CCCC)CCCOC1CN(CC)C1 ZINC001224755335 775266193 /nfs/dbraw/zinc/26/61/93/775266193.db2.gz MQNYAYLFIFRXOV-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP C[C@@H](OCCCCC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001217776187 775279928 /nfs/dbraw/zinc/27/99/28/775279928.db2.gz FRULJVLJONSDGZ-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721585330 775280001 /nfs/dbraw/zinc/28/00/01/775280001.db2.gz GXEOISVHONRWLW-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)Cc1ccccc1N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277003638 775288201 /nfs/dbraw/zinc/28/82/01/775288201.db2.gz GVYOOPQDDJAGBG-GOSISDBHSA-N 2 0 287.451 2.670 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCCC[NH+]1CCCCC1)C2 ZINC001224854186 775291131 /nfs/dbraw/zinc/29/11/31/775291131.db2.gz BLFGISGINNMNRZ-MUJYYYPQSA-N 2 0 266.429 2.504 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)[C@@H]1CC[NH3+] ZINC000694000545 775335906 /nfs/dbraw/zinc/33/59/06/775335906.db2.gz OGNOYNYYLPMBQT-MLGOLLRUSA-N 2 0 272.396 2.512 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721621700 775447579 /nfs/dbraw/zinc/44/75/79/775447579.db2.gz VTNJZNAEFBGHBP-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP Fc1ccccc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207437190 775662595 /nfs/dbraw/zinc/66/25/95/775662595.db2.gz CYOVYWNPRDGFJI-INIZCTEOSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CC2CCC1CC2 ZINC000394485777 775703318 /nfs/dbraw/zinc/70/33/18/775703318.db2.gz OARGCBZQJJKOMP-HGCIIPMOSA-N 2 0 274.452 2.787 20 0 CFADRP CSC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCCC1 ZINC000328558387 775750526 /nfs/dbraw/zinc/75/05/26/775750526.db2.gz COJCICBHBDFURC-XPABHHOTSA-N 2 0 280.481 2.638 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226416004 775813120 /nfs/dbraw/zinc/81/31/20/775813120.db2.gz CBNPHMSTAXQJNE-GFCCVEGCSA-N 2 0 273.380 2.926 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000925519310 775841997 /nfs/dbraw/zinc/84/19/97/775841997.db2.gz MAMLLNNIUQMCSH-GOEBONIOSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1(Cl)CC1 ZINC000695635889 775901752 /nfs/dbraw/zinc/90/17/52/775901752.db2.gz DGPQBTKPTCIOET-QWHCGFSZSA-N 2 0 258.837 2.858 20 0 CFADRP CCc1ccccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001141227971 776022617 /nfs/dbraw/zinc/02/26/17/776022617.db2.gz VDGRUMVKZXOGRY-UHFFFAOYSA-N 2 0 258.409 2.777 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000695821230 776031178 /nfs/dbraw/zinc/03/11/78/776031178.db2.gz FHCIAYDJQLVTDV-MAZHCROVSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000709377936 776074700 /nfs/dbraw/zinc/07/47/00/776074700.db2.gz VKKLAZACIKZCDD-NXEZZACHSA-N 2 0 258.818 2.674 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001167753170 776087414 /nfs/dbraw/zinc/08/74/14/776087414.db2.gz LWUYZMBCLGAXTL-GFCCVEGCSA-N 2 0 287.411 2.822 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925700783 776168463 /nfs/dbraw/zinc/16/84/63/776168463.db2.gz WIJYQBLKLVIERI-JYJNAYRXSA-N 2 0 271.408 2.506 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000124155566 776186362 /nfs/dbraw/zinc/18/63/62/776186362.db2.gz YUJSUDIKXIJWGN-KRWDZBQOSA-N 2 0 294.414 2.523 20 0 CFADRP Cc1noc2ccc(C[NH+]3C[C@@H]4CC[N@H+](C)CC[C@@H]4C3)cc12 ZINC001277217846 776224266 /nfs/dbraw/zinc/22/42/66/776224266.db2.gz SLXCOKMWQITAHG-IYBDPMFKSA-N 2 0 299.418 2.910 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000335032799 776260030 /nfs/dbraw/zinc/26/00/30/776260030.db2.gz APUDANVCGBYPSD-MRXNPFEDSA-N 2 0 299.462 2.936 20 0 CFADRP C[NH+](C)Cc1c(O[C@H]2CC[N@H+](C)C2)ccc2ccccc21 ZINC001228439592 776492107 /nfs/dbraw/zinc/49/21/07/776492107.db2.gz PAWDSERLAHRAGY-HNNXBMFYSA-N 2 0 284.403 2.984 20 0 CFADRP Cc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1O ZINC001211695755 776525444 /nfs/dbraw/zinc/52/54/44/776525444.db2.gz SSYVHSSARJGRCH-UHFFFAOYSA-N 2 0 298.390 2.591 20 0 CFADRP CCO[C@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167825234 776545188 /nfs/dbraw/zinc/54/51/88/776545188.db2.gz IFZOOVAEDAGHQI-CVEARBPZSA-N 2 0 270.461 2.998 20 0 CFADRP CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167825470 776546925 /nfs/dbraw/zinc/54/69/25/776546925.db2.gz JKVQAKTZCMJDFJ-JKSUJKDBSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2cccc2C1 ZINC001167826586 776548221 /nfs/dbraw/zinc/54/82/21/776548221.db2.gz QUZZXQBDRVFKRP-OAHLLOKOSA-N 2 0 263.429 2.814 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001167827246 776549825 /nfs/dbraw/zinc/54/98/25/776549825.db2.gz VEIAQRVEFVENES-IRXDYDNUSA-N 2 0 281.488 2.667 20 0 CFADRP CCCN1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167827557 776551039 /nfs/dbraw/zinc/55/10/39/776551039.db2.gz XKBAJIWVKFATAT-MRXNPFEDSA-N 2 0 269.477 2.525 20 0 CFADRP CCN(CC)[C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167837177 776587053 /nfs/dbraw/zinc/58/70/53/776587053.db2.gz JAHOIGHYUKOKFD-DLBZAZTESA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001167838202 776588416 /nfs/dbraw/zinc/58/84/16/776588416.db2.gz RMUOTAYEZHYTHD-KGLIPLIRSA-N 2 0 254.418 2.550 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001167839540 776591182 /nfs/dbraw/zinc/59/11/82/776591182.db2.gz ZLPBMWGQNSFDTA-JKSUJKDBSA-N 2 0 298.471 2.772 20 0 CFADRP c1cc(NCC[NH+]2CCSCC2)cc(C2=[NH+]CCC2)c1 ZINC001167839719 776592518 /nfs/dbraw/zinc/59/25/18/776592518.db2.gz RPZKKROIKFQSCM-UHFFFAOYSA-N 2 0 289.448 2.730 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001167841719 776607239 /nfs/dbraw/zinc/60/72/39/776607239.db2.gz PNDMNIDEWGMCGQ-BZUAXINKSA-N 2 0 298.471 2.770 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000692911368 776649563 /nfs/dbraw/zinc/64/95/63/776649563.db2.gz RKHNRVWRNGYYOA-HNNXBMFYSA-N 2 0 293.842 2.947 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000692911371 776649926 /nfs/dbraw/zinc/64/99/26/776649926.db2.gz RKHNRVWRNGYYOA-OAHLLOKOSA-N 2 0 293.842 2.947 20 0 CFADRP COc1ccc(NC(=[NH2+])NCCCC[NH3+])c2ccccc12 ZINC001167880931 776714453 /nfs/dbraw/zinc/71/44/53/776714453.db2.gz BDGTUQNQDVTCAU-UHFFFAOYSA-N 2 0 286.379 2.524 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167898801 776738006 /nfs/dbraw/zinc/73/80/06/776738006.db2.gz UZJGECYQRGOGCE-ZSHCYNCHSA-N 2 0 274.408 2.515 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)nc1 ZINC001167915359 776852085 /nfs/dbraw/zinc/85/20/85/776852085.db2.gz BEFQUKLPIFRREI-VQFNDLOPSA-N 2 0 285.435 2.682 20 0 CFADRP [NH3+]C1(Cc2ccccc2F)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918503 776915886 /nfs/dbraw/zinc/91/58/86/776915886.db2.gz JRSPAVLOHZRYAU-MUJYYYPQSA-N 2 0 288.410 2.960 20 0 CFADRP COc1cccc(C2([NH3+])CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC001167918556 776917194 /nfs/dbraw/zinc/91/71/94/776917194.db2.gz JZVSOJLHFSAGOQ-FOLVSLTJSA-N 2 0 286.419 2.744 20 0 CFADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@@H]1C ZINC000710015372 777001449 /nfs/dbraw/zinc/00/14/49/777001449.db2.gz NEPMZCOXDSQSSR-UGUYLWEFSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167950968 777186486 /nfs/dbraw/zinc/18/64/86/777186486.db2.gz FOIOVBUXBQYPKN-BCDXTJNWSA-N 2 0 295.515 2.771 20 0 CFADRP CC[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2CN)C1 ZINC000721639087 777226154 /nfs/dbraw/zinc/22/61/54/777226154.db2.gz GORKQOJMLKGEOS-XYPHTWIQSA-N 2 0 258.409 2.951 20 0 CFADRP CC(C)Oc1ncccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001231757828 777325834 /nfs/dbraw/zinc/32/58/34/777325834.db2.gz FPQCMWDSMSLGDG-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP COC(C)(C)C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277584108 777375538 /nfs/dbraw/zinc/37/55/38/777375538.db2.gz ANSRMPVDLUNDLW-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712835855 777390187 /nfs/dbraw/zinc/39/01/87/777390187.db2.gz DNLOAJMWZJZGEB-JKSUJKDBSA-N 2 0 298.471 2.772 20 0 CFADRP CCCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965334 777402868 /nfs/dbraw/zinc/40/28/68/777402868.db2.gz BGLVEQWWZPYRIA-ALOPSCKCSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCC[C@]1(C)O ZINC001232010843 777410322 /nfs/dbraw/zinc/41/03/22/777410322.db2.gz DTBYXTMOTWMZOT-LRDDRELGSA-N 2 0 273.380 2.546 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1CN1CCC([NH+]2CCCC2)CC1 ZINC001232011327 777411271 /nfs/dbraw/zinc/41/12/71/777411271.db2.gz JPUHFTWQDRLMHR-UHFFFAOYSA-N 2 0 284.407 2.623 20 0 CFADRP c1c(C[N@@H+]2CC[C@]3(C2)CCCOC3)[nH]c2cc[nH+]cc12 ZINC001232015208 777412377 /nfs/dbraw/zinc/41/23/77/777412377.db2.gz CRPMLSGFVLQEIW-INIZCTEOSA-N 2 0 271.364 2.565 20 0 CFADRP c1cn(C2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cn1 ZINC001232015406 777412838 /nfs/dbraw/zinc/41/28/38/777412838.db2.gz GZMQHNQWAGHHEH-UHFFFAOYSA-N 2 0 281.363 2.597 20 0 CFADRP CO[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001232019147 777414178 /nfs/dbraw/zinc/41/41/78/777414178.db2.gz WSHPMGFKUMBARE-RISCZKNCSA-N 2 0 259.353 2.562 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CO1 ZINC001167973764 777440414 /nfs/dbraw/zinc/44/04/14/777440414.db2.gz MXEQXKCCQQDGTC-VIYLOZMYSA-N 2 0 278.440 2.549 20 0 CFADRP C[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H](O)CC1 ZINC001167977153 777446933 /nfs/dbraw/zinc/44/69/33/777446933.db2.gz AGSAVHSUOAXOLS-XYHAWQCHSA-N 2 0 292.467 2.675 20 0 CFADRP COC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145134 777449222 /nfs/dbraw/zinc/44/92/22/777449222.db2.gz WBLMYXJRGKHLTF-KRWDZBQOSA-N 2 0 294.414 2.888 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC001232143856 777449764 /nfs/dbraw/zinc/44/97/64/777449764.db2.gz DEEAYWAWRFBANB-KRWDZBQOSA-N 2 0 294.414 2.624 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2cc[nH]n2)c1 ZINC001277636248 777492394 /nfs/dbraw/zinc/49/23/94/777492394.db2.gz HKQQXNGAPYNNCI-ALOPSCKCSA-N 2 0 296.418 2.792 20 0 CFADRP C[N@@H+](Cc1ccc(O)c2ncccc12)CC1CC[NH+](C)CC1 ZINC001232279402 777506560 /nfs/dbraw/zinc/50/65/60/777506560.db2.gz PQXUABHWMJCEEL-UHFFFAOYSA-N 2 0 299.418 2.714 20 0 CFADRP FC(F)C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277645927 777515989 /nfs/dbraw/zinc/51/59/89/777515989.db2.gz ZLMMTDLTSIQOBS-UHFFFAOYSA-N 2 0 272.383 2.982 20 0 CFADRP CO[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@H](C)C1 ZINC001168006740 777580993 /nfs/dbraw/zinc/58/09/93/777580993.db2.gz OPDOSMCIZULMPB-SCBLWJDOSA-N 2 0 292.467 2.891 20 0 CFADRP CNc1ccccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001232676291 777639073 /nfs/dbraw/zinc/63/90/73/777639073.db2.gz WNWFBNWEZLMXLL-UHFFFAOYSA-N 2 0 296.418 2.754 20 0 CFADRP C[C@@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168014575 777642615 /nfs/dbraw/zinc/64/26/15/777642615.db2.gz LYGDSTCYZBENCS-XLMAVXFVSA-N 2 0 290.451 2.646 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccnc3ccccc23)CC1 ZINC000895338684 777708604 /nfs/dbraw/zinc/70/86/04/777708604.db2.gz XNNKZCLPHVWPKN-UHFFFAOYSA-N 2 0 283.419 2.709 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]2C1 ZINC001232912360 777719608 /nfs/dbraw/zinc/71/96/08/777719608.db2.gz VQOBITIUOCPICH-AEFFLSMTSA-N 2 0 295.430 2.861 20 0 CFADRP C[C@@H](O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029600 777728058 /nfs/dbraw/zinc/72/80/58/777728058.db2.gz TYRQYUZUCSTFGO-KYHPRHEASA-N 2 0 290.451 2.789 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@@H+](C2CC(OC(C)(C)C)C2)C1 ZINC000341665872 777887217 /nfs/dbraw/zinc/88/72/17/777887217.db2.gz MXCMSKUORWMOAT-QQFBHYJXSA-N 2 0 282.472 2.996 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(Cc3cc4cccnc4s3)C2)C1 ZINC001233349614 777906584 /nfs/dbraw/zinc/90/65/84/777906584.db2.gz ZZQZJZIOWQKTKU-INIZCTEOSA-N 2 0 287.432 2.824 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cccc(N)n1 ZINC001233371788 777917366 /nfs/dbraw/zinc/91/73/66/777917366.db2.gz IYIGKXDFPRAPFK-JKSUJKDBSA-N 2 0 288.439 2.503 20 0 CFADRP C[C@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CCO1 ZINC001168073506 777937544 /nfs/dbraw/zinc/93/75/44/777937544.db2.gz CRPVZZDZBMJJIZ-DZGCQCFKSA-N 2 0 254.418 2.537 20 0 CFADRP CC(C)[N@@H+]1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277797554 778023559 /nfs/dbraw/zinc/02/35/59/778023559.db2.gz UDMHRZCYVUMPJJ-UHFFFAOYSA-N 2 0 258.409 2.874 20 0 CFADRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168093106 778025473 /nfs/dbraw/zinc/02/54/73/778025473.db2.gz LTEFCVVWZMHNFO-DZGCQCFKSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CCO1 ZINC001168094474 778031022 /nfs/dbraw/zinc/03/10/22/778031022.db2.gz ULPGHCPJUQFKAG-UKRRQHHQSA-N 2 0 266.429 2.537 20 0 CFADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1CCO[C@@H](C)C1 ZINC001168094758 778031232 /nfs/dbraw/zinc/03/12/32/778031232.db2.gz ZITHNOZSQWSMMZ-HLLBOEOZSA-N 2 0 276.424 2.651 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168127252 778115473 /nfs/dbraw/zinc/11/54/73/778115473.db2.gz DYLQEORAKNHBLK-GOEBONIOSA-N 2 0 268.445 2.606 20 0 CFADRP CC1(Nc2ccc([C@H]3CCC[NH2+]3)cc2)CC[NH2+]CC1 ZINC001168185024 778226640 /nfs/dbraw/zinc/22/66/40/778226640.db2.gz AGKHUUSGXPWIBT-OAHLLOKOSA-N 2 0 259.397 2.665 20 0 CFADRP C[N@@H+]1CC[C@@H](c2ccc(NC3(C)CC[NH2+]CC3)cc2)C1 ZINC001168188824 778232090 /nfs/dbraw/zinc/23/20/90/778232090.db2.gz CRAIUPFBYLBEQA-OAHLLOKOSA-N 2 0 273.424 2.660 20 0 CFADRP COC(=O)CC[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277871143 778271356 /nfs/dbraw/zinc/27/13/56/778271356.db2.gz KPFXNWCMRSGMLZ-DLBZAZTESA-N 2 0 294.439 2.517 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000721251824 778291620 /nfs/dbraw/zinc/29/16/20/778291620.db2.gz CPSYYAAGAABDOF-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229699025 778328386 /nfs/dbraw/zinc/32/83/86/778328386.db2.gz JOQFEKFBQRGZGY-HNNXBMFYSA-N 2 0 262.397 2.610 20 0 CFADRP Cc1cccc(F)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234997743 778348552 /nfs/dbraw/zinc/34/85/52/778348552.db2.gz FYFCOCZVORNAAL-MRXNPFEDSA-N 2 0 262.372 2.710 20 0 CFADRP CC1=C[C@H](C)[C@H](C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001235005096 778352081 /nfs/dbraw/zinc/35/20/81/778352081.db2.gz DONFKLPXDONGGK-BZSNNMDCSA-N 2 0 292.467 2.681 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@]4(CCC[NH2+]4)CC3)c1)CCN2 ZINC001235037741 778362719 /nfs/dbraw/zinc/36/27/19/778362719.db2.gz HUPQICOBOVXSAE-GOSISDBHSA-N 2 0 285.435 2.763 20 0 CFADRP c1c[nH]c(CN2CCC[C@]3(CCC[N@@H+](C4CC4)C3)C2)c1 ZINC001277923225 778382398 /nfs/dbraw/zinc/38/23/98/778382398.db2.gz SFRZZCLYDIYNQK-KRWDZBQOSA-N 2 0 273.424 2.855 20 0 CFADRP c1cc(C2CC2)ccc1CN1CCC[C@@]12CC[NH2+]C2 ZINC001235111223 778384062 /nfs/dbraw/zinc/38/40/62/778384062.db2.gz PIMRQSFXDGFXIR-KRWDZBQOSA-N 2 0 256.393 2.892 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCCC13CC[NH2+]CC3)CCCN2 ZINC001235143555 778396978 /nfs/dbraw/zinc/39/69/78/778396978.db2.gz FOHSAGNNOGLUMY-UHFFFAOYSA-N 2 0 285.435 2.763 20 0 CFADRP Nc1c(F)cccc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153172 778398578 /nfs/dbraw/zinc/39/85/78/778398578.db2.gz FWWYSYPBLIJUDA-INIZCTEOSA-N 2 0 291.414 2.762 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC(C)(C)C ZINC001235187459 778407190 /nfs/dbraw/zinc/40/71/90/778407190.db2.gz ZJXBPSPTVCMQHH-KFWWJZLASA-N 2 0 252.446 2.990 20 0 CFADRP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235192890 778408857 /nfs/dbraw/zinc/40/88/57/778408857.db2.gz GQJPZQRLCYCDBD-ANQUJSFKSA-N 2 0 290.838 2.985 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC001235193556 778409370 /nfs/dbraw/zinc/40/93/70/778409370.db2.gz PABZKOWPJWIUJI-BZUAXINKSA-N 2 0 262.441 2.910 20 0 CFADRP Cc1ccccc1OCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294727 778410578 /nfs/dbraw/zinc/41/05/78/778410578.db2.gz DWUJZBUZUTUDNG-UHFFFAOYSA-N 2 0 276.424 2.836 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](C(C)(C)O)CC2)CC1 ZINC001168297545 778411407 /nfs/dbraw/zinc/41/14/07/778411407.db2.gz BWRVWOWHCMUFGW-MSBXVQKDSA-N 2 0 282.472 2.779 20 0 CFADRP COc1cc(F)c(C[NH2+]C2CCC([NH+](C)C)CC2)c(F)c1 ZINC001168298381 778412217 /nfs/dbraw/zinc/41/22/17/778412217.db2.gz QCXSOPRXRITWIL-UHFFFAOYSA-N 2 0 298.377 2.936 20 0 CFADRP COc1c(F)cc(F)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168290771 778412319 /nfs/dbraw/zinc/41/23/19/778412319.db2.gz WZZYYYFWCKFNDK-UHFFFAOYSA-N 2 0 298.377 2.936 20 0 CFADRP C[C@@H](C[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC001235210565 778416402 /nfs/dbraw/zinc/41/64/02/778416402.db2.gz NBQHPZCXJOMJIB-DUOKCRBOSA-N 2 0 266.388 2.832 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(CC3CC3)CCOCC2)CC1 ZINC001168305366 778419660 /nfs/dbraw/zinc/41/96/60/778419660.db2.gz IZMVSRYEDVQLPR-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc2c(cn1)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CC2 ZINC001168306036 778420010 /nfs/dbraw/zinc/42/00/10/778420010.db2.gz YBDVWPNDJVWMML-VMBOVVBDSA-N 2 0 273.424 2.840 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235224476 778421010 /nfs/dbraw/zinc/42/10/10/778421010.db2.gz MGLULBMHGARLKM-MSOLQXFVSA-N 2 0 299.462 2.718 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235228052 778422205 /nfs/dbraw/zinc/42/22/05/778422205.db2.gz HHJRJWYQZPHYNG-INIZCTEOSA-N 2 0 261.413 2.677 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3cnccc32)CC1 ZINC001168312258 778422381 /nfs/dbraw/zinc/42/23/81/778422381.db2.gz NFPWWQNBHPSPMR-DQPZFDDXSA-N 2 0 273.424 2.921 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccn1 ZINC001235228631 778422965 /nfs/dbraw/zinc/42/29/65/778422965.db2.gz JNUBITWSADZPDS-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP C1=CO[C@@H](C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235231236 778423128 /nfs/dbraw/zinc/42/31/28/778423128.db2.gz DPBACAHGMHZXHD-CVEARBPZSA-N 2 0 264.413 2.533 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ccccc3C2=O)CC1 ZINC001168312077 778423358 /nfs/dbraw/zinc/42/33/58/778423358.db2.gz JDYIAILVUGFPTE-VMBOVVBDSA-N 2 0 286.419 2.647 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)o1 ZINC001235233272 778424128 /nfs/dbraw/zinc/42/41/28/778424128.db2.gz OPAFSDCVIQFWDQ-INIZCTEOSA-N 2 0 262.397 2.942 20 0 CFADRP Fc1cnccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235232674 778424353 /nfs/dbraw/zinc/42/43/53/778424353.db2.gz ZMMKHGYTTNZIFX-INIZCTEOSA-N 2 0 277.387 2.575 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(c3ccc(N)cc3)CC2)CC1 ZINC001168314294 778425699 /nfs/dbraw/zinc/42/56/99/778425699.db2.gz CDUDZLZSRDODKL-UHFFFAOYSA-N 2 0 273.424 2.720 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001168315732 778426835 /nfs/dbraw/zinc/42/68/35/778426835.db2.gz MFIQQUFTEHOGAK-UHFFFAOYSA-N 2 0 287.451 2.681 20 0 CFADRP Cc1cnsc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237941 778427127 /nfs/dbraw/zinc/42/71/27/778427127.db2.gz FKQAOUANISYFRV-CQSZACIVSA-N 2 0 279.453 2.806 20 0 CFADRP Cc1ccc([C@H](C)CCN2C[C@H]3CCC[C@@]3([NH3+])C2)o1 ZINC001235241009 778428198 /nfs/dbraw/zinc/42/81/98/778428198.db2.gz PFXWYJUKDLLZEJ-XNRPHZJLSA-N 2 0 262.397 2.895 20 0 CFADRP Cc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc(C)c1F ZINC001235246504 778430763 /nfs/dbraw/zinc/43/07/63/778430763.db2.gz YDSLNIGZSSJGHG-GDBMZVCRSA-N 2 0 262.372 2.756 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccc3c1CCCC3)C2 ZINC001235245975 778430874 /nfs/dbraw/zinc/43/08/74/778430874.db2.gz SDJOILSJHGAIPQ-SJLPKXTDSA-N 2 0 270.420 2.879 20 0 CFADRP c1ccc(C2(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@H]43)CCCC2)cc1 ZINC001235254144 778433361 /nfs/dbraw/zinc/43/33/61/778433361.db2.gz BBELPQYFPXHVTP-DOTOQJQBSA-N 2 0 270.420 2.792 20 0 CFADRP CCOCC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168327336 778434071 /nfs/dbraw/zinc/43/40/71/778434071.db2.gz JXDRCEBHJPDGOT-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC001235255190 778434766 /nfs/dbraw/zinc/43/47/66/778434766.db2.gz CZMKLNVBPCUSLI-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235255276 778434848 /nfs/dbraw/zinc/43/48/48/778434848.db2.gz MFJKGIYZLWMAHB-GOEBONIOSA-N 2 0 278.827 2.956 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001235267780 778440427 /nfs/dbraw/zinc/44/04/27/778440427.db2.gz IZOAFINBWDWJTP-SJLPKXTDSA-N 2 0 281.403 2.661 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235273299 778441056 /nfs/dbraw/zinc/44/10/56/778441056.db2.gz RFTDRIXDSUUJBE-IRXDYDNUSA-N 2 0 258.409 2.823 20 0 CFADRP CCC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235362148 778468669 /nfs/dbraw/zinc/46/86/69/778468669.db2.gz LRBRLECNXUNPRX-DLBZAZTESA-N 2 0 258.409 2.650 20 0 CFADRP CC(C)C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235364299 778470221 /nfs/dbraw/zinc/47/02/21/778470221.db2.gz XJYJYDDMTGFSKT-ZWKOTPCHSA-N 2 0 272.436 2.896 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC001235430019 778486863 /nfs/dbraw/zinc/48/68/63/778486863.db2.gz VYGTWODCDBIKHK-IAGOWNOFSA-N 2 0 288.435 2.912 20 0 CFADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(F)c1F ZINC001235449529 778493352 /nfs/dbraw/zinc/49/33/52/778493352.db2.gz UDRDYTLFDUAAFS-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@H](CC[NH2+]Cc1cccc2cnccc21)[NH+](C)C ZINC000697903972 778517307 /nfs/dbraw/zinc/51/73/07/778517307.db2.gz MQXRSIUKLSMJKA-CYBMUJFWSA-N 2 0 257.381 2.665 20 0 CFADRP C(O[C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]3)C[C@@H]21)C1CC1 ZINC001235595892 778522025 /nfs/dbraw/zinc/52/20/25/778522025.db2.gz FBBVVKJDUVNUHU-VSZNYVQBSA-N 2 0 292.467 2.656 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC001235674018 778531483 /nfs/dbraw/zinc/53/14/83/778531483.db2.gz KQZLWLNRNRXQMF-LJQANCHMSA-N 2 0 294.398 2.943 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)c(C)cc2OC)CC1 ZINC001235679665 778534315 /nfs/dbraw/zinc/53/43/15/778534315.db2.gz MIUCYGRBKCSBLW-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP CC[C@H]([NH3+])CN1CCC(c2ccccc2F)CC1 ZINC001235681415 778535887 /nfs/dbraw/zinc/53/58/87/778535887.db2.gz ZIFDASQPJYRATE-ZDUSSCGKSA-N 2 0 250.361 2.742 20 0 CFADRP Fc1ccc(O[C@@H]2CC[N@H+](CC[C@H]3CCCC[NH2+]3)C2)cc1 ZINC001235687109 778536920 /nfs/dbraw/zinc/53/69/20/778536920.db2.gz DYEGFQQSDVPWMT-NVXWUHKLSA-N 2 0 292.398 2.811 20 0 CFADRP C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+](C)Cc1ccccc1F ZINC001235691226 778538401 /nfs/dbraw/zinc/53/84/01/778538401.db2.gz GWEJPHPBRIFXFL-WCQYABFASA-N 2 0 286.341 2.748 20 0 CFADRP CCCC[NH+]1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC001235692328 778539186 /nfs/dbraw/zinc/53/91/86/778539186.db2.gz ZOEFJVVCMISLAY-UHFFFAOYSA-N 2 0 281.488 2.717 20 0 CFADRP Cc1ccccc1O[C@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001235693594 778539413 /nfs/dbraw/zinc/53/94/13/778539413.db2.gz XVHBRCOLPBIPAZ-HNNXBMFYSA-N 2 0 262.397 2.577 20 0 CFADRP Oc1ccc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235701871 778542304 /nfs/dbraw/zinc/54/23/04/778542304.db2.gz LZBAYHGBDZNOHX-UHFFFAOYSA-N 2 0 292.398 2.743 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)CC1Cc2ccccc2C1 ZINC001235715193 778545270 /nfs/dbraw/zinc/54/52/70/778545270.db2.gz RRNZLEPDFHPZAJ-UHFFFAOYSA-N 2 0 272.436 2.723 20 0 CFADRP Cc1cc(F)cc(C[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235717602 778546641 /nfs/dbraw/zinc/54/66/41/778546641.db2.gz VWRCIMQOAZOYTN-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP COc1cccc([C@H]2CCCC[N@@H+]2CCCC[NH3+])c1 ZINC001235725197 778547978 /nfs/dbraw/zinc/54/79/78/778547978.db2.gz JIWUJHCTWVIMFR-MRXNPFEDSA-N 2 0 262.397 2.961 20 0 CFADRP C[C@H](CCNC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000697937773 778551315 /nfs/dbraw/zinc/55/13/15/778551315.db2.gz VFVGAMCHEIFTOL-MRXNPFEDSA-N 3 0 289.467 2.581 20 0 CFADRP C[C@H](CCN[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000697937586 778551431 /nfs/dbraw/zinc/55/14/31/778551431.db2.gz TZZZVEITOPGVAB-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000714754741 778552824 /nfs/dbraw/zinc/55/28/24/778552824.db2.gz ZDHZBZVNIGPIAR-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP C[Si](C)(C)C[N@@H+](Cc1ccccc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235825655 778570053 /nfs/dbraw/zinc/57/00/53/778570053.db2.gz PLSJOSCQQYKXBR-FVQHAEBGSA-N 2 0 288.511 2.831 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[NH2+]CC3(C)C)cc21 ZINC001235827005 778570290 /nfs/dbraw/zinc/57/02/90/778570290.db2.gz GOCWVKRJISTENU-UHFFFAOYSA-N 2 0 299.462 2.872 20 0 CFADRP Cc1cc(C)c(Cl)c(CN(C)C[C@@H]2CC[NH2+]C2)c1 ZINC001235843084 778577636 /nfs/dbraw/zinc/57/76/36/778577636.db2.gz VGXBSZYWGCVDFW-CYBMUJFWSA-N 2 0 266.816 2.998 20 0 CFADRP FC1(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC001235868914 778585525 /nfs/dbraw/zinc/58/55/25/778585525.db2.gz WPTSNKWPIHSRRL-ZIAGYGMSSA-N 2 0 254.393 2.733 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001235893419 778594899 /nfs/dbraw/zinc/59/48/99/778594899.db2.gz OZWRNOXMTRTANV-WMZOPIPTSA-N 2 0 299.462 2.861 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])ccc1C ZINC001235925947 778612987 /nfs/dbraw/zinc/61/29/87/778612987.db2.gz SVJBQMVLJAOMJU-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235929293 778613965 /nfs/dbraw/zinc/61/39/65/778613965.db2.gz KTIDNRFVSNQMBI-UONOGXRCSA-N 2 0 298.352 2.789 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2cccccc1-2 ZINC001235933974 778615612 /nfs/dbraw/zinc/61/56/12/778615612.db2.gz AQBLCEKBKDTCGB-RDJZCZTQSA-N 2 0 266.388 2.833 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235938870 778617640 /nfs/dbraw/zinc/61/76/40/778617640.db2.gz MANBWIXXVQYUMS-RDJZCZTQSA-N 2 0 288.435 2.824 20 0 CFADRP CCc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(CC)c1O ZINC001235937901 778617701 /nfs/dbraw/zinc/61/77/01/778617701.db2.gz JOIURFNGSNBLKT-IAGOWNOFSA-N 2 0 288.435 2.558 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235937054 778617810 /nfs/dbraw/zinc/61/78/10/778617810.db2.gz HVONLFLASFHOSD-HOCLYGCPSA-N 2 0 258.409 2.851 20 0 CFADRP CCSc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235938085 778618324 /nfs/dbraw/zinc/61/83/24/778618324.db2.gz WHKASCORYXFKHU-ZFWWWQNUSA-N 2 0 276.449 2.840 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)c1 ZINC001235936948 778618436 /nfs/dbraw/zinc/61/84/36/778618436.db2.gz HMYMDVBQIGSEDP-SJORKVTESA-N 2 0 281.403 2.519 20 0 CFADRP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235941666 778619222 /nfs/dbraw/zinc/61/92/22/778619222.db2.gz WUQAEYZLMOGJIV-ZWKOTPCHSA-N 2 0 272.436 2.926 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)s1 ZINC001235940311 778619372 /nfs/dbraw/zinc/61/93/72/778619372.db2.gz SFQQFGBKPAHDGG-OLZOCXBDSA-N 2 0 264.438 2.742 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH2+]2 ZINC000721883683 778625216 /nfs/dbraw/zinc/62/52/16/778625216.db2.gz VFPDLVYWSIPTAS-UKRFAEJPSA-N 2 0 280.456 2.699 20 0 CFADRP CC(C)(Cc1ccccn1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168368866 778628522 /nfs/dbraw/zinc/62/85/22/778628522.db2.gz RBZICJFELTVRDF-UHFFFAOYSA-N 2 0 287.451 2.867 20 0 CFADRP C[N@H+](C[C@@H]1CC1(C)C)CC1CC2(C1)CC[NH2+]CC2 ZINC001235958638 778628771 /nfs/dbraw/zinc/62/87/71/778628771.db2.gz OJHPNTLODNPKDM-AWEZNQCLSA-N 2 0 250.430 2.744 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235959198 778628791 /nfs/dbraw/zinc/62/87/91/778628791.db2.gz HOOSNBMSYIUFJH-ALXJQNPVSA-N 2 0 266.388 2.961 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](CC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC001235960652 778629547 /nfs/dbraw/zinc/62/95/47/778629547.db2.gz WILUFSBLUWWGQW-MSOLQXFVSA-N 2 0 288.435 2.635 20 0 CFADRP [NH3+][C@]12CC[C@H]1C[N@H+](CCCCCOCc1ccccc1)C2 ZINC001235978849 778637604 /nfs/dbraw/zinc/63/76/04/778637604.db2.gz KOOKUFXUHRZGSG-ROUUACIJSA-N 2 0 288.435 2.797 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981651 778638554 /nfs/dbraw/zinc/63/85/54/778638554.db2.gz WXDOVTHLZGSQKJ-DOTOQJQBSA-N 2 0 296.455 2.703 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236004849 778651032 /nfs/dbraw/zinc/65/10/32/778651032.db2.gz HSLRLXAZKBJHER-NXHRZFHOSA-N 2 0 272.436 2.896 20 0 CFADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCC[NH+]1CCCC1)C2 ZINC001224744527 778656748 /nfs/dbraw/zinc/65/67/48/778656748.db2.gz NQXSPLPDRVXLOF-FVQHAEBGSA-N 2 0 280.456 2.893 20 0 CFADRP [NH3+]CCCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001236043254 778662698 /nfs/dbraw/zinc/66/26/98/778662698.db2.gz XTIOEPUFBDTJRS-UHFFFAOYSA-N 2 0 291.222 2.527 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236045853 778664678 /nfs/dbraw/zinc/66/46/78/778664678.db2.gz XLNZIRRWEOQXQF-CVEARBPZSA-N 2 0 298.471 2.949 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)cc(OC)c(C)c2C)C1 ZINC001236065617 778678607 /nfs/dbraw/zinc/67/86/07/778678607.db2.gz BYSWHWNQNMKMRF-HNNXBMFYSA-N 2 0 276.424 2.662 20 0 CFADRP C[C@@H](CC[N@@H+]1CCC[C@H](N2CC([NH3+])C2)C1)CC(C)(C)C ZINC001236074254 778682169 /nfs/dbraw/zinc/68/21/69/778682169.db2.gz WAGMLTQFUBDZFL-HOCLYGCPSA-N 2 0 281.488 2.556 20 0 CFADRP [NH3+]CCC[C@H]1CCCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168372031 778690447 /nfs/dbraw/zinc/69/04/47/778690447.db2.gz RSAOEZKXTIHQSY-MRXNPFEDSA-N 3 0 293.499 2.702 20 0 CFADRP C[C@@H]([NH3+])c1cccc(-c2cnn(CCC[NH+](C)C)c2)c1 ZINC001236154000 778720117 /nfs/dbraw/zinc/72/01/17/778720117.db2.gz QYMTZACKMDUGTO-CYBMUJFWSA-N 2 0 272.396 2.522 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001236223477 778744775 /nfs/dbraw/zinc/74/47/75/778744775.db2.gz PWBXTLNXRBEKEW-AWEZNQCLSA-N 2 0 268.401 2.731 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)NCCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221612 778744829 /nfs/dbraw/zinc/74/48/29/778744829.db2.gz DBYFLZUGGKHNSL-WKILWMFISA-N 2 0 273.424 2.746 20 0 CFADRP FC1(F)CC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001168377790 778745033 /nfs/dbraw/zinc/74/50/33/778745033.db2.gz HWSZFMCQHDWPFO-HIFRSBDPSA-N 2 0 284.394 2.838 20 0 CFADRP C[N@H+](Cc1ccc([Si](C)(C)C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224358 778745065 /nfs/dbraw/zinc/74/50/65/778745065.db2.gz TWYKHYPNXULXNI-WKILWMFISA-N 2 0 290.527 2.934 20 0 CFADRP Clc1cccc(CCC[NH+]2CCC[NH2+]CCC2)c1 ZINC001236239574 778748726 /nfs/dbraw/zinc/74/87/26/778748726.db2.gz GXVKBKFYQUXXKO-UHFFFAOYSA-N 2 0 266.816 2.958 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](Cc2cccc(OC)c2)C1 ZINC001236305593 778768572 /nfs/dbraw/zinc/76/85/72/778768572.db2.gz ZGLWKDJHLVCBLG-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)[nH]1 ZINC001236314971 778774502 /nfs/dbraw/zinc/77/45/02/778774502.db2.gz JFRTYHYYXQQSDV-OKILXGFUSA-N 2 0 275.440 2.744 20 0 CFADRP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314468 778774566 /nfs/dbraw/zinc/77/45/66/778774566.db2.gz NMYOSWCTIVZTMO-VQHPVUNQSA-N 2 0 262.441 2.910 20 0 CFADRP c1cc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2[nH]1 ZINC001236316514 778775115 /nfs/dbraw/zinc/77/51/15/778775115.db2.gz TZRNUEUSBWDLTK-IYBDPMFKSA-N 2 0 269.392 2.599 20 0 CFADRP c1ccc2sc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)nc2c1 ZINC001236315709 778775559 /nfs/dbraw/zinc/77/55/59/778775559.db2.gz MUWURQITFWKQBZ-BETUJISGSA-N 2 0 287.432 2.728 20 0 CFADRP Fc1cc(F)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1F ZINC001236315828 778775612 /nfs/dbraw/zinc/77/56/12/778775612.db2.gz OHBNWGWNJSYRJT-PHIMTYICSA-N 2 0 284.325 2.535 20 0 CFADRP Cn1ccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc21 ZINC001236320209 778777256 /nfs/dbraw/zinc/77/72/56/778777256.db2.gz MJDPIAQOFBXVIO-CALCHBBNSA-N 2 0 283.419 2.610 20 0 CFADRP c1ccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ncc2c1 ZINC001236320251 778778189 /nfs/dbraw/zinc/77/81/89/778778189.db2.gz OEKKMYNHZGCVGS-CALCHBBNSA-N 2 0 281.403 2.666 20 0 CFADRP Cc1cccc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322100 778778944 /nfs/dbraw/zinc/77/89/44/778778944.db2.gz PBUFYALOVFPKHW-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2[nH]ccc21 ZINC001236322306 778779199 /nfs/dbraw/zinc/77/91/99/778779199.db2.gz WMPSZVXDWXDYQQ-BETUJISGSA-N 2 0 287.382 2.738 20 0 CFADRP C(C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)C1CC[NH2+]CC1 ZINC001236373564 778795896 /nfs/dbraw/zinc/79/58/96/778795896.db2.gz ZNTJVRXKWWCHSL-KRWDZBQOSA-N 3 0 293.499 2.620 20 0 CFADRP Cc1cccc(C)c1N1CC[NH+](CCCCC[NH3+])CC1 ZINC001236432748 778826530 /nfs/dbraw/zinc/82/65/30/778826530.db2.gz FBQIHDHKULUEHB-UHFFFAOYSA-N 2 0 275.440 2.554 20 0 CFADRP CC(C)(C)CN(C[C@@H]([NH3+])c1ccccc1)C1CC[NH2+]CC1 ZINC001236458651 778833672 /nfs/dbraw/zinc/83/36/72/778833672.db2.gz VEZPIEKDIKCFGY-QGZVFWFLSA-N 2 0 289.467 2.787 20 0 CFADRP CC(C)(C)CN(CCC[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC001236458158 778834329 /nfs/dbraw/zinc/83/43/29/778834329.db2.gz RLYOMDGVLNGEMZ-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1cccc(C[N@H+](CCC2C[NH2+]C2)C2CC2)c1C ZINC001236533404 778867862 /nfs/dbraw/zinc/86/78/62/778867862.db2.gz PFGJDQPAVCYHGY-UHFFFAOYSA-N 2 0 258.409 2.877 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001236566106 778877373 /nfs/dbraw/zinc/87/73/73/778877373.db2.gz BSUOMFJZCBOMTO-BQFCYCMXSA-N 3 0 293.499 2.891 20 0 CFADRP CC[C@@H](N)C[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566301 778877809 /nfs/dbraw/zinc/87/78/09/778877809.db2.gz WCKKVFBVFFRGFT-IIAWOOMASA-N 2 0 267.461 2.628 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(C)c1 ZINC001236598164 778890177 /nfs/dbraw/zinc/89/01/77/778890177.db2.gz HOKINECJLPQFGZ-OAHLLOKOSA-N 2 0 288.435 2.968 20 0 CFADRP COc1cccc([C@@H]2CSCC[N@@H+]2CCCC[NH3+])c1 ZINC001236604137 778891812 /nfs/dbraw/zinc/89/18/12/778891812.db2.gz CKMGBKTTYBMYIH-HNNXBMFYSA-N 2 0 280.437 2.524 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001236616408 778896267 /nfs/dbraw/zinc/89/62/67/778896267.db2.gz MUKLDGUIHLEMKL-HZPDHXFCSA-N 2 0 281.488 2.700 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000300147044 778904380 /nfs/dbraw/zinc/90/43/80/778904380.db2.gz ZTNWYMNAAIFODD-FPCVCCKLSA-N 2 0 250.430 2.887 20 0 CFADRP CN1CCC[C@H]2C[N@H+](Cc3cccc4occc43)C[C@@H]21 ZINC001236737316 778924931 /nfs/dbraw/zinc/92/49/31/778924931.db2.gz DEENSBBSQNZTFP-HOCLYGCPSA-N 2 0 270.376 2.959 20 0 CFADRP CC[N@@H+](Cc1cccc(F)c1F)CC1CC[NH2+]CC1 ZINC000094011224 778940518 /nfs/dbraw/zinc/94/05/18/778940518.db2.gz ZSCVNUSBOOEILF-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP Cc1c(F)ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236825868 778954646 /nfs/dbraw/zinc/95/46/46/778954646.db2.gz AWLOIAHAOHOOQN-ZKYQVNSYSA-N 2 0 282.790 2.957 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001236826897 778955117 /nfs/dbraw/zinc/95/51/17/778955117.db2.gz CWVKBKHYJOFQPZ-UAGQMJEPSA-N 2 0 288.435 2.951 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC001236826900 778955239 /nfs/dbraw/zinc/95/52/39/778955239.db2.gz CWVKBKHYJOFQPZ-XIRDDKMYSA-N 2 0 288.435 2.951 20 0 CFADRP Cc1cc(F)cc(Cl)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236826973 778955476 /nfs/dbraw/zinc/95/54/76/778955476.db2.gz DMSPNCOUOMMCHK-XEGUGMAKSA-N 2 0 282.790 2.957 20 0 CFADRP CCC[N@@H+](Cc1cc(C)ccc1OC)C[C@@H]1CC[NH2+]C1 ZINC001236833448 778959156 /nfs/dbraw/zinc/95/91/56/778959156.db2.gz BLBMIYKURXCJAE-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[N@@H+](Cc1cccc(F)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236833986 778959383 /nfs/dbraw/zinc/95/93/83/778959383.db2.gz DVRBVONGKSATHU-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[N@@H+](Cc1cc(C)cc(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833789 778959728 /nfs/dbraw/zinc/95/97/28/778959728.db2.gz CKXWEAUDVPCMKB-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[N@@H+](Cc1cccc2c1CCC2)C[C@@H]1CC[NH2+]C1 ZINC001236845056 778964075 /nfs/dbraw/zinc/96/40/75/778964075.db2.gz YLHGFBDLOJDTGU-OAHLLOKOSA-N 2 0 272.436 2.997 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCC(C)(C)C3)c2)CC1 ZINC001236900335 778978191 /nfs/dbraw/zinc/97/81/91/778978191.db2.gz XXZCKRGFXHYWEI-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP CC(C)=CCC[C@H](C)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236911776 778980897 /nfs/dbraw/zinc/98/08/97/778980897.db2.gz INFMWSKZTQELII-KRWDZBQOSA-N 2 0 295.515 2.985 20 0 CFADRP C[NH+](C)CCN(CCCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236925280 778982660 /nfs/dbraw/zinc/98/26/60/778982660.db2.gz WVMQZTKSHKHDBT-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+](C)CCN(CCCC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236925375 778982833 /nfs/dbraw/zinc/98/28/33/778982833.db2.gz XLMAEGODGVWAFY-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP COc1cccc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237143505 779024629 /nfs/dbraw/zinc/02/46/29/779024629.db2.gz GFTAXYSGFGXFQB-INIZCTEOSA-N 2 0 274.408 2.802 20 0 CFADRP c1cc2c(c(CN(C3CCC3)[C@@H]3CCC[NH2+]C3)c1)CCN2 ZINC001237154437 779028245 /nfs/dbraw/zinc/02/82/45/779028245.db2.gz BLMBJJQOPPVCAL-MRXNPFEDSA-N 2 0 285.435 2.761 20 0 CFADRP C[C@H]1Cc2cccc(Br)c2C[N@@H+]1CCCC[NH3+] ZINC001237192412 779045378 /nfs/dbraw/zinc/04/53/78/779045378.db2.gz VIVDSKLXOYELSY-NSHDSACASA-N 2 0 297.240 2.935 20 0 CFADRP C[C@H]1Cc2cc(Br)ccc2C[N@@H+]1CCCC[NH3+] ZINC001237237888 779058097 /nfs/dbraw/zinc/05/80/97/779058097.db2.gz YNJYHFGLHFGDDD-NSHDSACASA-N 2 0 297.240 2.935 20 0 CFADRP Fc1ccc(C[C@H]2CCC[N@@H+]2CC2(F)CC[NH2+]CC2)cc1 ZINC001237250646 779061243 /nfs/dbraw/zinc/06/12/43/779061243.db2.gz WPYOWKYWGOXSQN-MRXNPFEDSA-N 2 0 294.389 2.924 20 0 CFADRP CN(Cc1ccncc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001237289535 779070021 /nfs/dbraw/zinc/07/00/21/779070021.db2.gz VFTLGZNKDOOUBU-UHFFFAOYSA-N 2 0 287.329 2.626 20 0 CFADRP c1ccc2c(c1)CC1(CC[NH+](CCC3CC[NH2+]CC3)CC1)N2 ZINC001237328385 779077953 /nfs/dbraw/zinc/07/79/53/779077953.db2.gz BWRLBTADWPVDKN-UHFFFAOYSA-N 2 0 299.462 2.879 20 0 CFADRP c1ccc2c(c1)C[NH2+]C21CCN(CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001237358251 779083800 /nfs/dbraw/zinc/08/38/00/779083800.db2.gz DTIQUDBETFZISB-KRWDZBQOSA-N 2 0 299.462 2.613 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1C ZINC001237379258 779086362 /nfs/dbraw/zinc/08/63/62/779086362.db2.gz ACJMTWSCEGWQDN-DOTOQJQBSA-N 2 0 288.435 2.886 20 0 CFADRP CCOc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237382784 779087395 /nfs/dbraw/zinc/08/73/95/779087395.db2.gz NHYZCJBTOSVGGQ-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237381888 779088011 /nfs/dbraw/zinc/08/80/11/779088011.db2.gz KMPBZIAEGZXPRA-CHWSQXEVSA-N 2 0 250.411 2.630 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237384172 779089125 /nfs/dbraw/zinc/08/91/25/779089125.db2.gz VELBFOBMUQGLQP-ZBFHGGJFSA-N 2 0 262.397 2.595 20 0 CFADRP Cc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(C)c1O ZINC001237405494 779098959 /nfs/dbraw/zinc/09/89/59/779098959.db2.gz QVWRHIDGERIVNP-CVEARBPZSA-N 2 0 274.408 2.583 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CCCN2 ZINC001237410795 779101057 /nfs/dbraw/zinc/10/10/57/779101057.db2.gz DEPYRAQIFXJTTF-FUHWJXTLSA-N 2 0 285.435 2.619 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001237410166 779101085 /nfs/dbraw/zinc/10/10/85/779101085.db2.gz JQGPVQILUCKLBY-MRXNPFEDSA-N 2 0 290.407 2.610 20 0 CFADRP COc1c(C)cccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001237512186 779124145 /nfs/dbraw/zinc/12/41/45/779124145.db2.gz XYSCOWYQFYMTIE-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP COc1c(C)cccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001237514421 779124803 /nfs/dbraw/zinc/12/48/03/779124803.db2.gz SYPMYIQLMVJUKZ-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP Cc1ccc(OCC[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001278126401 779155111 /nfs/dbraw/zinc/15/51/11/779155111.db2.gz IUKFWXZJYFJNMZ-CALCHBBNSA-N 2 0 288.435 2.647 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(C)cc1 ZINC001278127062 779155670 /nfs/dbraw/zinc/15/56/70/779155670.db2.gz YFHLOXLNTSLVCU-MQVJKMGUSA-N 2 0 274.408 2.589 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205095123 779172785 /nfs/dbraw/zinc/17/27/85/779172785.db2.gz UPFZXJPWWKDBOX-ZDUSSCGKSA-N 2 0 250.411 2.722 20 0 CFADRP C[N@@H+](Cc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699227598 779223602 /nfs/dbraw/zinc/22/36/02/779223602.db2.gz UCGSUYVSDHPBBL-YHWZYXNKSA-N 2 0 250.411 2.711 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC001205110083 779234291 /nfs/dbraw/zinc/23/42/91/779234291.db2.gz OETAUWMRTVLNCA-CYBMUJFWSA-N 2 0 254.324 2.937 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3ccncc32)CC1 ZINC001205110101 779234961 /nfs/dbraw/zinc/23/49/61/779234961.db2.gz OQAQBWBJNLGGPB-HNNXBMFYSA-N 2 0 255.365 2.548 20 0 CFADRP C[Si](C)(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205110300 779235585 /nfs/dbraw/zinc/23/55/85/779235585.db2.gz QYSKWOJJCZRSBO-OAHLLOKOSA-N 2 0 276.500 2.545 20 0 CFADRP c1[nH+]cn2c1cccc2CN1CC[NH+](CC2CCCC2)CC1 ZINC001238114377 779255789 /nfs/dbraw/zinc/25/57/89/779255789.db2.gz SOYGZYBQOYYVDG-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c2CCCC3)CC1 ZINC001205116606 779258324 /nfs/dbraw/zinc/25/83/24/779258324.db2.gz DRWZQVWWHJUIQJ-MRXNPFEDSA-N 2 0 258.409 2.879 20 0 CFADRP Cc1ncncc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001238175451 779269725 /nfs/dbraw/zinc/26/97/25/779269725.db2.gz LGVVXALNIJVXSN-DLBZAZTESA-N 2 0 288.439 2.624 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000699525771 779289394 /nfs/dbraw/zinc/28/93/94/779289394.db2.gz MWOAYMNWGXYRDA-KFWWJZLASA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1F ZINC001235031243 779304293 /nfs/dbraw/zinc/30/42/93/779304293.db2.gz FCJLZNLPTMCSBR-INIZCTEOSA-N 2 0 262.372 2.628 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000699721830 779346590 /nfs/dbraw/zinc/34/65/90/779346590.db2.gz WQXSDNJXSCGUDE-JZRPKSSGSA-N 2 0 272.383 2.644 20 0 CFADRP CC1(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CCCCC1 ZINC001235400416 779349799 /nfs/dbraw/zinc/34/97/99/779349799.db2.gz CVCYQCWENNTWKD-GOEBONIOSA-N 2 0 268.420 2.980 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000715259927 779352438 /nfs/dbraw/zinc/35/24/38/779352438.db2.gz BVJKZPWYFGAZTK-HOTGVXAUSA-N 2 0 281.488 2.712 20 0 CFADRP COc1cc2ccccc2cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205151567 779354249 /nfs/dbraw/zinc/35/42/49/779354249.db2.gz WSYXTXWTHSQFQW-SUMWQHHRSA-N 2 0 284.403 2.875 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1C[NH3+] ZINC001205151486 779354830 /nfs/dbraw/zinc/35/48/30/779354830.db2.gz VMGMKCRWYMNUHD-SUMWQHHRSA-N 2 0 258.409 2.981 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Cl ZINC001205151596 779354903 /nfs/dbraw/zinc/35/49/03/779354903.db2.gz WZYOQVQWQWSWEH-SMDDNHRTSA-N 2 0 266.816 2.929 20 0 CFADRP CSc1ncc(C)cc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001238718854 779375457 /nfs/dbraw/zinc/37/54/57/779375457.db2.gz SSAOYGVMQCJUEB-MRXNPFEDSA-N 2 0 291.464 2.640 20 0 CFADRP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235936906 779411252 /nfs/dbraw/zinc/41/12/52/779411252.db2.gz HJZICCLJYXLILF-QWHCGFSZSA-N 2 0 264.800 2.690 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000037786540 779423782 /nfs/dbraw/zinc/42/37/82/779423782.db2.gz QSJNFZPVGSWWTM-CQSZACIVSA-N 3 0 281.488 2.569 20 0 CFADRP CC(C)(O)/C=C/c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001239159786 779465102 /nfs/dbraw/zinc/46/51/02/779465102.db2.gz LXZBYDBVEHVERE-JXMROGBWSA-N 2 0 288.435 2.641 20 0 CFADRP FC1(F)CCC(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314847 779536616 /nfs/dbraw/zinc/53/66/16/779536616.db2.gz SFJSNEBDTGLIGO-OKILXGFUSA-N 2 0 272.383 2.743 20 0 CFADRP Cc1cccc(C)c1N1CC[NH+](CCCCCC[NH3+])CC1 ZINC001236434813 779568629 /nfs/dbraw/zinc/56/86/29/779568629.db2.gz XHZRLLPCDMSEOA-UHFFFAOYSA-N 2 0 289.467 2.945 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1ccc2c(c1)COC21C[NH2+]C1 ZINC001239685286 779710120 /nfs/dbraw/zinc/71/01/20/779710120.db2.gz DSSNKKUXGSONNI-UHFFFAOYSA-N 2 0 294.398 2.744 20 0 CFADRP CCc1ccccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239743981 779741368 /nfs/dbraw/zinc/74/13/68/779741368.db2.gz SFYNDWHHMJHVOX-UHFFFAOYSA-N 2 0 267.376 2.721 20 0 CFADRP Cc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC001239823960 779802581 /nfs/dbraw/zinc/80/25/81/779802581.db2.gz PEQWNEZCIZPBJU-UHFFFAOYSA-N 2 0 271.339 2.606 20 0 CFADRP CC(C)Oc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001239969141 779889505 /nfs/dbraw/zinc/88/95/05/779889505.db2.gz YBEBFOOCFPRVIM-UHFFFAOYSA-N 2 0 297.402 2.945 20 0 CFADRP Nc1cc[nH+]c(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001240046344 779926834 /nfs/dbraw/zinc/92/68/34/779926834.db2.gz XVDOJZVDUUUOKT-UHFFFAOYSA-N 2 0 253.349 2.927 20 0 CFADRP c1cc(-c2ccc3c(n2)C[NH2+]CC3)ccc1C[NH+]1CCCC1 ZINC001240050650 779927778 /nfs/dbraw/zinc/92/77/78/779927778.db2.gz UPIOYFCNYFLHTO-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP [NH3+]Cc1ncc(-c2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC001240168287 779983027 /nfs/dbraw/zinc/98/30/27/779983027.db2.gz DUIFSKDQGNCSCB-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP Nc1cc[nH+]cc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240388658 780130768 /nfs/dbraw/zinc/13/07/68/780130768.db2.gz PUZLAVSIXSVCHJ-UHFFFAOYSA-N 2 0 265.360 2.783 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000715543384 780142924 /nfs/dbraw/zinc/14/29/24/780142924.db2.gz MUYYHVKBYXDJIE-WCVJEAGWSA-N 2 0 268.445 2.652 20 0 CFADRP Cn1ccc2c1cc[nH+]c2-c1ccc2c(c1)CC[NH2+]C2 ZINC001240453934 780174565 /nfs/dbraw/zinc/17/45/65/780174565.db2.gz HRGMKKMLNDWCMO-UHFFFAOYSA-N 2 0 263.344 2.886 20 0 CFADRP c1cc(-c2ccc3c(c2)CC[NH2+]C3)ccc1O[C@@H]1CC[NH2+]C1 ZINC001240458861 780180799 /nfs/dbraw/zinc/18/07/99/780180799.db2.gz QQZHUVQLZZULGZ-LJQANCHMSA-N 2 0 294.398 2.740 20 0 CFADRP Nc1[nH+]ccn1-c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240458675 780180861 /nfs/dbraw/zinc/18/08/61/780180861.db2.gz OVQMXYWHCCRZSM-UHFFFAOYSA-N 2 0 290.370 2.767 20 0 CFADRP Cc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1C ZINC001240700828 780371573 /nfs/dbraw/zinc/37/15/73/780371573.db2.gz FTLRYJZYTVONOG-UHFFFAOYSA-N 2 0 267.376 2.775 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C12CCC2 ZINC000453184164 780419957 /nfs/dbraw/zinc/41/99/57/780419957.db2.gz ZPMBQGXTKUHVPI-GVDBMIGSSA-N 2 0 294.483 2.902 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C12CCC2 ZINC000453184166 780420649 /nfs/dbraw/zinc/42/06/49/780420649.db2.gz ZPMBQGXTKUHVPI-YESZJQIVSA-N 2 0 294.483 2.902 20 0 CFADRP CC1([NH3+])CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168703233 780426798 /nfs/dbraw/zinc/42/67/98/780426798.db2.gz BTXCHDSNXBTBTI-LBPRGKRZSA-N 2 0 264.800 2.620 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3ccc(C[NH3+])cc3)cc2)CC1 ZINC001240851487 780477590 /nfs/dbraw/zinc/47/75/90/780477590.db2.gz HZHRHFDMSNEQRA-UHFFFAOYSA-N 2 0 281.403 2.564 20 0 CFADRP Cc1cc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)n(C)n1 ZINC001240860081 780484219 /nfs/dbraw/zinc/48/42/19/780484219.db2.gz ULJXLMDXCVXNNI-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP CN1CCC([N@H+](C)[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168718778 780494787 /nfs/dbraw/zinc/49/47/87/780494787.db2.gz RZORQJIEPMVIAA-AWEZNQCLSA-N 2 0 278.827 2.833 20 0 CFADRP C[NH+](C)CCOc1ccc(C=C2CC[NH2+]CC2)cc1F ZINC001240879091 780497406 /nfs/dbraw/zinc/49/74/06/780497406.db2.gz IXYDDEDTERSUCB-UHFFFAOYSA-N 2 0 278.371 2.533 20 0 CFADRP CCOc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001241116365 780645032 /nfs/dbraw/zinc/64/50/32/780645032.db2.gz JKOLLPCQFLESKB-UHFFFAOYSA-N 2 0 283.375 2.557 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc[nH]c3=O)cc2)CC1 ZINC001241121394 780649689 /nfs/dbraw/zinc/64/96/89/780649689.db2.gz JFUYFOUIQUTOIJ-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP CCOc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1C ZINC001241197771 780699794 /nfs/dbraw/zinc/69/97/94/780699794.db2.gz WSLGCGPFLVPPFB-UHFFFAOYSA-N 2 0 297.402 2.865 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000700583943 780700400 /nfs/dbraw/zinc/70/04/00/780700400.db2.gz NDMIWRHPDZQMQP-GJZGRUSLSA-N 2 0 278.440 2.946 20 0 CFADRP C[N@H+]1CC=C(c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001241330158 780784256 /nfs/dbraw/zinc/78/42/56/780784256.db2.gz KMZONJDHNILZPE-KRWDZBQOSA-N 2 0 256.393 2.873 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc3c(c2)CCC32CC[NH2+]CC2)C1 ZINC001241569843 780986750 /nfs/dbraw/zinc/98/67/50/780986750.db2.gz RYUIXDGKRUFQIK-UHFFFAOYSA-N 2 0 282.431 2.973 20 0 CFADRP Cc1cscc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001241729378 781100331 /nfs/dbraw/zinc/10/03/31/781100331.db2.gz KGPUIOUSIRPVKY-UHFFFAOYSA-N 2 0 259.378 2.528 20 0 CFADRP CC[NH+]1CCN(c2ccc(-c3ccccc3C[NH3+])cc2)CC1 ZINC001241744545 781105861 /nfs/dbraw/zinc/10/58/61/781105861.db2.gz WKFSAXNAPWQPPV-UHFFFAOYSA-N 2 0 295.430 2.954 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(SC)C1 ZINC000706860077 781205658 /nfs/dbraw/zinc/20/56/58/781205658.db2.gz XLEFMKNLSHQZAO-HSBZDZAISA-N 2 0 258.475 2.981 20 0 CFADRP Clc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001242147014 781300230 /nfs/dbraw/zinc/30/02/30/781300230.db2.gz LMNZYUOULRELCR-UHFFFAOYSA-N 2 0 273.767 2.812 20 0 CFADRP CN(C)c1cc[nH+]c(-c2ccc(OCC[NH+](C)C)cc2)c1 ZINC001242147602 781301089 /nfs/dbraw/zinc/30/10/89/781301089.db2.gz GXGKTDRXKVJGGT-UHFFFAOYSA-N 2 0 285.391 2.755 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001242149422 781302036 /nfs/dbraw/zinc/30/20/36/781302036.db2.gz OKAJENYFFHBNTE-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP Cc1c[nH+]c(-c2ccc(OCC[NH+](C)C)cc2)cc1N ZINC001242149020 781302043 /nfs/dbraw/zinc/30/20/43/781302043.db2.gz SYHOCZPMDYLSOW-UHFFFAOYSA-N 2 0 271.364 2.580 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709704711 781302627 /nfs/dbraw/zinc/30/26/27/781302627.db2.gz XQPIMZYLPLGTLR-UONOGXRCSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709731571 781304096 /nfs/dbraw/zinc/30/40/96/781304096.db2.gz CSEWOUNNYLVYIS-IHRRRGAJSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1C[NH3+] ZINC000709755247 781307176 /nfs/dbraw/zinc/30/71/76/781307176.db2.gz NIFCGWMZMINUHQ-LXTVHRRPSA-N 2 0 282.472 2.885 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000709639309 781317441 /nfs/dbraw/zinc/31/74/41/781317441.db2.gz XGZMNFOSWUBARM-NWDGAFQWSA-N 2 0 264.335 2.650 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709802404 781318078 /nfs/dbraw/zinc/31/80/78/781318078.db2.gz KIOPHUICIJUKQT-QJPTWQEYSA-N 2 0 266.351 2.738 20 0 CFADRP C[C@H]1CSCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710836948 781340590 /nfs/dbraw/zinc/34/05/90/781340590.db2.gz FGHCNGWFPKQWDB-LLVKDONJSA-N 2 0 282.478 2.579 20 0 CFADRP C[C@@H](COc1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000711091969 781357942 /nfs/dbraw/zinc/35/79/42/781357942.db2.gz JLLJTEJLONRNNW-GJZGRUSLSA-N 2 0 276.424 2.774 20 0 CFADRP Cc1c(F)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC001242287320 781370835 /nfs/dbraw/zinc/37/08/35/781370835.db2.gz JAPUCVXBRIOHTF-UHFFFAOYSA-N 2 0 289.329 2.745 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205058476 781375840 /nfs/dbraw/zinc/37/58/40/781375840.db2.gz NNWVJJNTCQVKGB-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP C(C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000711928616 781488859 /nfs/dbraw/zinc/48/88/59/781488859.db2.gz ZQLYQEZEDHBZLK-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP Nc1cncc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)c1 ZINC001242501542 781550244 /nfs/dbraw/zinc/55/02/44/781550244.db2.gz BHIOEMGECFOYRZ-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP CC(C)N(CCC[NH3+])c1cc(OC(C)(C)C)cc[nH+]1 ZINC001164129008 781673014 /nfs/dbraw/zinc/67/30/14/781673014.db2.gz STDSFBJSSSMREM-UHFFFAOYSA-N 2 0 265.401 2.823 20 0 CFADRP Cc1nc(-c2ccc3c(c2)C[NH2+]C3)cc([C@H]2CCC[NH2+]C2)n1 ZINC001242674416 781689629 /nfs/dbraw/zinc/68/96/29/781689629.db2.gz SKNCEFVAAXSYGJ-HNNXBMFYSA-N 2 0 294.402 2.522 20 0 CFADRP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352488467 282082430 /nfs/dbraw/zinc/08/24/30/282082430.db2.gz QOJBRQABPXBBMM-AWEZNQCLSA-N 2 0 284.407 2.642 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347540863 282083485 /nfs/dbraw/zinc/08/34/85/282083485.db2.gz MMECXZWVSRYDSN-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000127780625 187332789 /nfs/dbraw/zinc/33/27/89/187332789.db2.gz PMKQVAFSZKRYJS-RRFJBIMHSA-N 2 0 293.480 2.567 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000595020715 349553114 /nfs/dbraw/zinc/55/31/14/349553114.db2.gz ZLHMRXWJCXOARB-GFCCVEGCSA-N 2 0 274.449 2.542 20 0 CFADRP CSCC1(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000595065897 349572348 /nfs/dbraw/zinc/57/23/48/349572348.db2.gz FXEDAHCAYHBETK-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000595098174 349581271 /nfs/dbraw/zinc/58/12/71/349581271.db2.gz BOFQIYWMOILDCO-UONOGXRCSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC000595340516 349605157 /nfs/dbraw/zinc/60/51/57/349605157.db2.gz TXEWJZFAUBZTGV-GOSISDBHSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cncc(F)c1 ZINC000125426648 187184144 /nfs/dbraw/zinc/18/41/44/187184144.db2.gz NNKVTNVLJQFCTL-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000261788778 282149583 /nfs/dbraw/zinc/14/95/83/282149583.db2.gz XOBWTHBJTLUEJH-GOEBONIOSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000125473293 187186938 /nfs/dbraw/zinc/18/69/38/187186938.db2.gz AIOYJPGCCCQCFH-ZDUSSCGKSA-N 2 0 290.407 2.798 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422814119 529494698 /nfs/dbraw/zinc/49/46/98/529494698.db2.gz ZPJMXZJGNCKVQB-YJBOKZPZSA-N 2 0 289.467 2.540 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)Oc1ccccc1Cl ZINC000422838004 529495398 /nfs/dbraw/zinc/49/53/98/529495398.db2.gz NMGOOUWVIAHYTJ-YPMHNXCESA-N 2 0 282.815 2.695 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1F ZINC000070187451 346907220 /nfs/dbraw/zinc/90/72/20/346907220.db2.gz JTVUNZYUYGWWPQ-UHFFFAOYSA-N 2 0 250.361 2.695 20 0 CFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415018552 529540464 /nfs/dbraw/zinc/54/04/64/529540464.db2.gz HCUAMVUEQYEOCX-ZFWWWQNUSA-N 2 0 294.439 2.742 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414898730 529545309 /nfs/dbraw/zinc/54/53/09/529545309.db2.gz BXQKACRAUMZUMB-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414165048 529592360 /nfs/dbraw/zinc/59/23/60/529592360.db2.gz PASZNXFSBKMFES-MCIONIFRSA-N 2 0 270.486 2.838 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000423348357 529593608 /nfs/dbraw/zinc/59/36/08/529593608.db2.gz SNYAMXGRZJONDY-HNNXBMFYSA-N 2 0 290.407 2.664 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@@H]1C ZINC000414114638 529585098 /nfs/dbraw/zinc/58/50/98/529585098.db2.gz LXKQLYTUODFVGY-DIECFANBSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cn1 ZINC000414185981 529605724 /nfs/dbraw/zinc/60/57/24/529605724.db2.gz OVBHNWMJLMISFH-ZFWWWQNUSA-N 2 0 279.403 2.993 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423279401 529610378 /nfs/dbraw/zinc/61/03/78/529610378.db2.gz SJMREMFQIDFMGU-WFASDCNBSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422780868 529597410 /nfs/dbraw/zinc/59/74/10/529597410.db2.gz HSXJWJCNDKWOBP-ROUUACIJSA-N 2 0 289.467 2.629 20 0 CFADRP CC[C@H](NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744678 529622561 /nfs/dbraw/zinc/62/25/61/529622561.db2.gz WLQLXDASSYPBKN-QAETUUGQSA-N 2 0 281.488 2.617 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422753501 529629808 /nfs/dbraw/zinc/62/98/08/529629808.db2.gz IKYIZXARCKMXCF-YOEHRIQHSA-N 2 0 260.425 2.769 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccccc1OC(F)F ZINC000423295020 529617480 /nfs/dbraw/zinc/61/74/80/529617480.db2.gz DGMGBQXIUUYYRR-PWSUYJOCSA-N 2 0 272.339 2.924 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1cc(Cl)ccc1OC ZINC000423300560 529617524 /nfs/dbraw/zinc/61/75/24/529617524.db2.gz RVQNKEMBCACCRV-MFKMUULPSA-N 2 0 270.804 2.984 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1c(C)noc1C ZINC000423012959 529649877 /nfs/dbraw/zinc/64/98/77/529649877.db2.gz LQIZHVUCSIRNKB-GWCFXTLKSA-N 2 0 253.390 2.850 20 0 CFADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@@H]1C ZINC000414104122 529633307 /nfs/dbraw/zinc/63/33/07/529633307.db2.gz NWEZQLHRQHPAAV-IMJJTQAJSA-N 2 0 291.439 2.546 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000422867178 529658127 /nfs/dbraw/zinc/65/81/27/529658127.db2.gz RTFLGOIOJFVQHM-FZMZJTMJSA-N 2 0 252.427 2.788 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000126298543 187231038 /nfs/dbraw/zinc/23/10/38/187231038.db2.gz QSXUVODOBBVRSD-UHFFFAOYSA-N 2 0 288.435 2.965 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126739386 187258969 /nfs/dbraw/zinc/25/89/69/187258969.db2.gz JJGRHILHZYKCOT-HZTRTUMWSA-N 2 0 288.435 2.928 20 0 CFADRP CCc1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422558456 529754474 /nfs/dbraw/zinc/75/44/74/529754474.db2.gz AQPRJCRGMZJRII-WOPDTQHZSA-N 2 0 267.442 2.511 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000126827626 187264226 /nfs/dbraw/zinc/26/42/26/187264226.db2.gz BRKKCBIVMGNIIC-GWCFXTLKSA-N 2 0 254.324 2.793 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)[C@@H]2CCC[C@@H]21 ZINC000414264379 529806282 /nfs/dbraw/zinc/80/62/82/529806282.db2.gz KVZNGDANHSAJEP-JYJNAYRXSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@H]2CCC[C@H]21 ZINC000423200564 529806770 /nfs/dbraw/zinc/80/67/70/529806770.db2.gz MOMMQMTZNUDUKY-OWCLPIDISA-N 2 0 279.472 2.501 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000273171502 192066034 /nfs/dbraw/zinc/06/60/34/192066034.db2.gz FDNXUMPBXNQCME-HNNXBMFYSA-N 2 0 260.425 2.939 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1F ZINC000422713390 529891894 /nfs/dbraw/zinc/89/18/94/529891894.db2.gz JPXNLULJANGDRC-HOCLYGCPSA-N 2 0 293.430 2.759 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000423287879 282307504 /nfs/dbraw/zinc/30/75/04/282307504.db2.gz PABLKBTVSZAJAY-OLZOCXBDSA-N 2 0 256.434 2.687 20 0 CFADRP Cc1cc(N2CC[NH+](Cc3cccs3)CC2)cc[nH+]1 ZINC000302279887 136451551 /nfs/dbraw/zinc/45/15/51/136451551.db2.gz ITPCXXDSDYWYLU-UHFFFAOYSA-N 2 0 273.405 2.774 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414860169 529971394 /nfs/dbraw/zinc/97/13/94/529971394.db2.gz OMMPCOYVIMJWLW-LSDHHAIUSA-N 2 0 250.361 2.661 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423205474 529971475 /nfs/dbraw/zinc/97/14/75/529971475.db2.gz VTZMGVIYMGORLR-OAHLLOKOSA-N 2 0 250.361 2.784 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423198497 529971547 /nfs/dbraw/zinc/97/15/47/529971547.db2.gz GFUDPNIVZVYZFJ-HZPDHXFCSA-N 2 0 296.842 2.629 20 0 CFADRP C[NH2+]CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414860262 529970879 /nfs/dbraw/zinc/97/08/79/529970879.db2.gz PAVLXQCPMVWZTF-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423201264 529971292 /nfs/dbraw/zinc/97/12/92/529971292.db2.gz OGLQVGDQHGDWPX-RYUDHWBXSA-N 2 0 277.437 2.987 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423281001 529986335 /nfs/dbraw/zinc/98/63/35/529986335.db2.gz VFZHJORSUBHDHN-VXGBXAGGSA-N 2 0 252.427 2.915 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423282716 529986401 /nfs/dbraw/zinc/98/64/01/529986401.db2.gz WUNCBSMJKBGLHF-DGCLKSJQSA-N 2 0 250.386 2.510 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000414850883 529998650 /nfs/dbraw/zinc/99/86/50/529998650.db2.gz ZSWOMVLXHOXXEA-JTQLQIEISA-N 2 0 285.229 2.703 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414841991 529998983 /nfs/dbraw/zinc/99/89/83/529998983.db2.gz OOQBCCUNTUVFIM-AWEZNQCLSA-N 2 0 269.392 2.694 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000423274015 529999678 /nfs/dbraw/zinc/99/96/78/529999678.db2.gz LOOITDNDWIDSCF-WMLDXEAASA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423277011 529999882 /nfs/dbraw/zinc/99/98/82/529999882.db2.gz PHKZOTKZCKLJIB-GRDNDAEWSA-N 2 0 294.414 2.739 20 0 CFADRP c1ccc2c(c1)CC[NH+](CCCC1CC[NH2+]CC1)CC2 ZINC000079574295 539421353 /nfs/dbraw/zinc/42/13/53/539421353.db2.gz RTTURENSVMDCMV-UHFFFAOYSA-N 2 0 272.436 2.867 20 0 CFADRP C[C@H]([NH2+]C1CC=CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121985000 539447856 /nfs/dbraw/zinc/44/78/56/539447856.db2.gz GLBIAZYKRQQHGE-AWEZNQCLSA-N 2 0 274.408 2.996 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C[C@@H]1OC ZINC000422934445 282389184 /nfs/dbraw/zinc/38/91/84/282389184.db2.gz FZJPMLICFMIUQX-WUCCLRPBSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000154570471 232226424 /nfs/dbraw/zinc/22/64/24/232226424.db2.gz OCRNRHCZIVWHGQ-DOTOQJQBSA-N 2 0 260.425 3.000 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH+](C2CCOCC2)CC1 ZINC000668442033 539490580 /nfs/dbraw/zinc/49/05/80/539490580.db2.gz ZCDNYHLUOJYEHT-BPQIPLTHSA-N 2 0 292.467 2.656 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000070170780 539486267 /nfs/dbraw/zinc/48/62/67/539486267.db2.gz NQBZQSPIZOCPDK-CYBMUJFWSA-N 2 0 282.428 2.979 20 0 CFADRP COCCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000123156112 539486282 /nfs/dbraw/zinc/48/62/82/539486282.db2.gz OZOSLLKVWBCWAU-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000070463837 539492145 /nfs/dbraw/zinc/49/21/45/539492145.db2.gz UAHYDKVYGJBDEG-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Oc1ccccc1 ZINC000089722585 539500451 /nfs/dbraw/zinc/50/04/51/539500451.db2.gz LXJGGRRVYZMSQU-HUUCEWRRSA-N 2 0 276.424 2.774 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000071113115 539504316 /nfs/dbraw/zinc/50/43/16/539504316.db2.gz POENEYNRGJITQF-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP CCc1nn(C)cc1C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000092353935 539517034 /nfs/dbraw/zinc/51/70/34/539517034.db2.gz UCIUHUILIPKUNE-AWEZNQCLSA-N 2 0 280.460 2.583 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@H]1OC ZINC000422933016 282456894 /nfs/dbraw/zinc/45/68/94/282456894.db2.gz DALJDHPAERJEQP-GBJTYRQASA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccccc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040620792 346346626 /nfs/dbraw/zinc/34/66/26/346346626.db2.gz MHVWYVAAUMFJSO-CQSZACIVSA-N 2 0 262.397 2.515 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000537958361 539538745 /nfs/dbraw/zinc/53/87/45/539538745.db2.gz RSCNRXPVMLVUIW-HIFRSBDPSA-N 2 0 262.397 2.576 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000596654890 349969594 /nfs/dbraw/zinc/96/95/94/349969594.db2.gz QNUFLKZDWIHHNR-ZYHUDNBSSA-N 2 0 284.425 2.559 20 0 CFADRP C1=C[C@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000066497135 346764717 /nfs/dbraw/zinc/76/47/17/346764717.db2.gz ZUNYWJPEMFUHSR-KRWDZBQOSA-N 2 0 278.440 2.529 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000414844117 282517516 /nfs/dbraw/zinc/51/75/16/282517516.db2.gz RAHPOTHSJQJTAG-MLGOLLRUSA-N 2 0 278.827 2.787 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000295452854 136688284 /nfs/dbraw/zinc/68/82/84/136688284.db2.gz QFZNSHULHAUBGP-CJNGLKHVSA-N 2 0 291.464 2.639 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C12CCC2 ZINC000087710485 347498419 /nfs/dbraw/zinc/49/84/19/347498419.db2.gz OKGHWHNVSLBWFH-HRCADAONSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000088521850 347504800 /nfs/dbraw/zinc/50/48/00/347504800.db2.gz QGNBTAORNYKOSR-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000090076553 347540061 /nfs/dbraw/zinc/54/00/61/347540061.db2.gz WWIXKNXBBBHBKK-BBRMVZONSA-N 2 0 272.392 2.905 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000090718357 347555155 /nfs/dbraw/zinc/55/51/55/347555155.db2.gz JXOABVMOGISTET-PBHICJAKSA-N 2 0 290.451 2.903 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000090909536 347561759 /nfs/dbraw/zinc/56/17/59/347561759.db2.gz ZWZBLUNQWMIMIZ-DAYGRLMNSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093943737 347689365 /nfs/dbraw/zinc/68/93/65/347689365.db2.gz NMAWTOIMWJJFDW-KGLIPLIRSA-N 2 0 263.429 2.743 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000094338974 347695436 /nfs/dbraw/zinc/69/54/36/347695436.db2.gz GSRZSWPNOZCBCY-CZUORRHYSA-N 2 0 262.397 2.645 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000093210087 347665614 /nfs/dbraw/zinc/66/56/14/347665614.db2.gz REAVKIFURDFVRJ-ZIAGYGMSSA-N 2 0 252.789 2.742 20 0 CFADRP c1ccc2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccnc2c1 ZINC000113650312 347768060 /nfs/dbraw/zinc/76/80/60/347768060.db2.gz LOFIPFVASUCVGO-JKSUJKDBSA-N 2 0 281.403 2.951 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)c21 ZINC000563977019 290188349 /nfs/dbraw/zinc/18/83/49/290188349.db2.gz XYFHCVBFTLZDJJ-GJZGRUSLSA-N 2 0 271.408 2.878 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000129037590 347856775 /nfs/dbraw/zinc/85/67/75/347856775.db2.gz FWELIOSIYHRITR-HOTGVXAUSA-N 2 0 276.424 2.884 20 0 CFADRP CC(C)(C)OCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668563377 539582116 /nfs/dbraw/zinc/58/21/16/539582116.db2.gz OPHUFUYADUVRSU-UHFFFAOYSA-N 2 0 291.439 2.845 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000090578263 539591284 /nfs/dbraw/zinc/59/12/84/539591284.db2.gz UEVPZHQLUQFLLE-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1(C)CCC1 ZINC000349064725 539594875 /nfs/dbraw/zinc/59/48/75/539594875.db2.gz VVALELWEWVBHLF-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[NH2+]CC1Cc2ccccc2C1 ZINC000233453957 348217386 /nfs/dbraw/zinc/21/73/86/348217386.db2.gz FNAOURBCXCYJLX-UHFFFAOYSA-N 2 0 260.425 2.723 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2[nH]1 ZINC000229664118 348202512 /nfs/dbraw/zinc/20/25/12/348202512.db2.gz NARLILRKDANHGX-HZPDHXFCSA-N 2 0 269.392 2.884 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000229644736 348203146 /nfs/dbraw/zinc/20/31/46/348203146.db2.gz LTIKIQWDTFJVIA-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP CC[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000248374199 348272751 /nfs/dbraw/zinc/27/27/51/348272751.db2.gz OOGYCKGFTRGEOD-JYJNAYRXSA-N 2 0 282.472 2.996 20 0 CFADRP c1ccc2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccnc2c1 ZINC000252667565 348297782 /nfs/dbraw/zinc/29/77/82/348297782.db2.gz LOFIPFVASUCVGO-CVEARBPZSA-N 2 0 281.403 2.951 20 0 CFADRP COc1cccc([C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000104131616 185902939 /nfs/dbraw/zinc/90/29/39/185902939.db2.gz WEMSPKGKBUCTCX-STQMWFEESA-N 2 0 262.397 2.815 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000564469704 290211246 /nfs/dbraw/zinc/21/12/46/290211246.db2.gz HVXQAOZKIJRMKT-BXUZGUMPSA-N 2 0 297.240 2.975 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2csc(C)c2)CC1 ZINC000310346443 348408629 /nfs/dbraw/zinc/40/86/29/348408629.db2.gz FKWHCKXBFFHEAO-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP Cc1cc(C#N)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394167302 348548273 /nfs/dbraw/zinc/54/82/73/348548273.db2.gz VQXXYWUGBRKIKY-JWTNVVGKSA-N 2 0 283.419 2.924 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000396458269 348557796 /nfs/dbraw/zinc/55/77/96/348557796.db2.gz OGTGGYLCGXDCKO-CHWSQXEVSA-N 2 0 291.395 2.976 20 0 CFADRP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000120464273 539653700 /nfs/dbraw/zinc/65/37/00/539653700.db2.gz MKPAADHYQOVFER-WMLDXEAASA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1COc2ccccc21 ZINC000584768022 348714027 /nfs/dbraw/zinc/71/40/27/348714027.db2.gz QQAGEZJFMKWAIV-NHIYQJMISA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000126016780 539661046 /nfs/dbraw/zinc/66/10/46/539661046.db2.gz LZXFOOINBZHYJX-HOCLYGCPSA-N 3 0 283.504 2.673 20 0 CFADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000126016974 539661109 /nfs/dbraw/zinc/66/11/09/539661109.db2.gz LZXFOOINBZHYJX-ZBFHGGJFSA-N 3 0 283.504 2.673 20 0 CFADRP CCCOc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000584594369 348683029 /nfs/dbraw/zinc/68/30/29/348683029.db2.gz XTWNWLDDDUODJW-QWHCGFSZSA-N 2 0 280.412 2.699 20 0 CFADRP Cc1noc(C)c1[C@@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000092332027 539676259 /nfs/dbraw/zinc/67/62/59/539676259.db2.gz QINBVTZKOHUUEP-RISCZKNCSA-N 2 0 265.401 2.816 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000126295099 539670469 /nfs/dbraw/zinc/67/04/69/539670469.db2.gz PFSVZRWHVFJUAH-INIZCTEOSA-N 2 0 262.372 2.744 20 0 CFADRP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+](C)C)c2C1 ZINC000092408126 539678961 /nfs/dbraw/zinc/67/89/61/539678961.db2.gz YHHPFUTVTHOBBU-ZDUSSCGKSA-N 2 0 289.423 2.547 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349231349 539689088 /nfs/dbraw/zinc/68/90/88/539689088.db2.gz AKGSPWPZVYFEQT-BETUJISGSA-N 2 0 292.383 2.834 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000591579993 349031675 /nfs/dbraw/zinc/03/16/75/349031675.db2.gz DNEPUQVWWLKWNY-RUXDESIVSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000414165112 233184684 /nfs/dbraw/zinc/18/46/84/233184684.db2.gz BOSUYJJFSJNSOX-CASTZCHQSA-N 2 0 276.399 3.000 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCC2CCCCC2)CC1 ZINC000127271404 539718017 /nfs/dbraw/zinc/71/80/17/539718017.db2.gz DRFVGXCRJULFKB-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414183646 233190251 /nfs/dbraw/zinc/19/02/51/233190251.db2.gz NJJBSBXZTPUPOC-GFCCVEGCSA-N 2 0 289.379 2.544 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000414289040 233216115 /nfs/dbraw/zinc/21/61/15/233216115.db2.gz QRXUPLMXKSNZFS-OAHLLOKOSA-N 2 0 276.428 2.529 20 0 CFADRP c1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2cn1 ZINC000300290275 539727140 /nfs/dbraw/zinc/72/71/40/539727140.db2.gz WNEIBWOCPBFCRQ-ROUUACIJSA-N 2 0 281.403 2.951 20 0 CFADRP OC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414343091 233231044 /nfs/dbraw/zinc/23/10/44/233231044.db2.gz QKLRVFVWRSKQMV-DOTOQJQBSA-N 2 0 294.483 2.924 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)Cc1cnc(C)n1C ZINC000597027445 350018070 /nfs/dbraw/zinc/01/80/70/350018070.db2.gz PVGRBFXFCSYKRF-NSHDSACASA-N 2 0 255.431 2.692 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090714544 180028725 /nfs/dbraw/zinc/02/87/25/180028725.db2.gz RAHBJUWITVDBSO-IAGOWNOFSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000090721779 180032304 /nfs/dbraw/zinc/03/23/04/180032304.db2.gz VFOMZRVKRMIWDC-CJNGLKHVSA-N 2 0 269.392 2.807 20 0 CFADRP C[N@H+](CCC[NH2+]Cc1cc[nH]c1)Cc1ccccc1 ZINC000090994236 180082177 /nfs/dbraw/zinc/08/21/77/180082177.db2.gz GXFBHPYHAUTUGD-UHFFFAOYSA-N 2 0 257.381 2.626 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090937192 180068221 /nfs/dbraw/zinc/06/82/21/180068221.db2.gz KSWOQOPARQIJLX-KGLIPLIRSA-N 2 0 279.428 2.546 20 0 CFADRP FC1(F)CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000398178008 539762189 /nfs/dbraw/zinc/76/21/89/539762189.db2.gz JHXWVMHVYWXUJB-AWEZNQCLSA-N 2 0 281.350 2.828 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cccc(N(C)C)c2)CC[NH2+]1 ZINC000414703281 233333040 /nfs/dbraw/zinc/33/30/40/233333040.db2.gz JLSQLLXZRYMLLW-GOEBONIOSA-N 2 0 275.440 2.573 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccccc3OC[C@H]2C)CC[NH2+]1 ZINC000414752834 233342427 /nfs/dbraw/zinc/34/24/27/233342427.db2.gz CUGADQVEBHIKKH-RBSFLKMASA-N 2 0 274.408 2.658 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000132259211 539774486 /nfs/dbraw/zinc/77/44/86/539774486.db2.gz JSVNGSISRONZKN-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414795770 233354952 /nfs/dbraw/zinc/35/49/52/233354952.db2.gz HDPVDAMUJXTTSY-GXTWGEPZSA-N 2 0 284.350 2.895 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000414798100 233356189 /nfs/dbraw/zinc/35/61/89/233356189.db2.gz DTZICBOJIQBQBP-SNVBAGLBSA-N 2 0 274.330 2.963 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000414775082 233347442 /nfs/dbraw/zinc/34/74/42/233347442.db2.gz BKBWJKALZVGGJR-BZSNNMDCSA-N 2 0 270.420 2.866 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000414775085 233347551 /nfs/dbraw/zinc/34/75/51/233347551.db2.gz BKBWJKALZVGGJR-OKZBNKHCSA-N 2 0 270.420 2.866 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000081626435 539777142 /nfs/dbraw/zinc/77/71/42/539777142.db2.gz NYLZZAWLCHIOHR-SJORKVTESA-N 2 0 293.499 2.571 20 0 CFADRP Clc1cccc(-c2n[nH]cc2C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414780553 233349376 /nfs/dbraw/zinc/34/93/76/233349376.db2.gz BNDUEPDZSYMYOH-UHFFFAOYSA-N 2 0 290.798 2.572 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1Br ZINC000414787258 233351449 /nfs/dbraw/zinc/35/14/49/233351449.db2.gz CCCYJNIPCYEGMN-JSGCOSHPSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000414805806 233359024 /nfs/dbraw/zinc/35/90/24/233359024.db2.gz PUMJIZCHZVGADI-HIFRSBDPSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H](C[NH2+]CC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000414809195 233361556 /nfs/dbraw/zinc/36/15/56/233361556.db2.gz UVTXEJIUCGLRJU-SNVBAGLBSA-N 2 0 285.229 2.880 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414812581 233361867 /nfs/dbraw/zinc/36/18/67/233361867.db2.gz XMCKGEQJFKZABL-IUODEOHRSA-N 2 0 294.826 2.882 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414812173 233362014 /nfs/dbraw/zinc/36/20/14/233362014.db2.gz XAXUZWSHEJUQJT-GDBMZVCRSA-N 2 0 284.407 2.684 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000414812221 233362472 /nfs/dbraw/zinc/36/24/72/233362472.db2.gz XGCCSYCAOWZUMG-OCCSQVGLSA-N 2 0 252.789 2.865 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc3c(c2)ncn3C)cc1 ZINC000414815877 233362787 /nfs/dbraw/zinc/36/27/87/233362787.db2.gz YQSZNCJVBHVQHH-ZDUSSCGKSA-N 2 0 294.402 2.883 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831174 233369977 /nfs/dbraw/zinc/36/99/77/233369977.db2.gz PPUMAJVUZRGTRP-KTFSGNIMSA-N 2 0 258.409 2.799 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000414831011 233370677 /nfs/dbraw/zinc/37/06/77/233370677.db2.gz PDAJGTOXVUPERZ-IUOOZAAYSA-N 2 0 276.811 2.680 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414832620 233371309 /nfs/dbraw/zinc/37/13/09/233371309.db2.gz QXNSAXIMYCDBJY-SQPSOYEMSA-N 2 0 262.372 2.629 20 0 CFADRP Cc1ccsc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000105454825 186058232 /nfs/dbraw/zinc/05/82/32/186058232.db2.gz UFMSPUCLBUTJQQ-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1F ZINC000414837079 233373069 /nfs/dbraw/zinc/37/30/69/233373069.db2.gz UBZBDVXMPWXEAL-ZIAGYGMSSA-N 2 0 294.414 2.602 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000105480407 186058668 /nfs/dbraw/zinc/05/86/68/186058668.db2.gz SEYWHJVUZKEEKD-BBRMVZONSA-N 2 0 262.397 2.515 20 0 CFADRP Cc1nc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc2s1 ZINC000414846858 233376041 /nfs/dbraw/zinc/37/60/41/233376041.db2.gz FHNUFIDVDJRMMV-CYBMUJFWSA-N 2 0 275.421 2.694 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414864524 233383523 /nfs/dbraw/zinc/38/35/23/233383523.db2.gz YSHCLJORZWTTQQ-YQQAZPJKSA-N 2 0 260.425 2.843 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000414881669 233387836 /nfs/dbraw/zinc/38/78/36/233387836.db2.gz SNBMWKHCZHHYMP-HZPDHXFCSA-N 2 0 258.409 2.869 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000414884889 233389317 /nfs/dbraw/zinc/38/93/17/233389317.db2.gz WNCAMNPJXXKZQG-LLVKDONJSA-N 2 0 297.240 2.851 20 0 CFADRP C[C@@H](C[NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414900144 233393133 /nfs/dbraw/zinc/39/31/33/233393133.db2.gz DGQQVSWEKTWWOH-XJKSGUPXSA-N 2 0 264.388 2.909 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414897894 233393162 /nfs/dbraw/zinc/39/31/62/233393162.db2.gz AEANXZXERZDURO-CYBMUJFWSA-N 2 0 272.314 2.937 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH3+] ZINC000414914162 233396820 /nfs/dbraw/zinc/39/68/20/233396820.db2.gz XEJQRDMOKFBEMA-NSHDSACASA-N 2 0 274.330 2.965 20 0 CFADRP C[C@@]1(C[NH2+]CCSCc2ccccc2)CCC[NH2+]C1 ZINC000414917904 233398200 /nfs/dbraw/zinc/39/82/00/233398200.db2.gz SJLLQCXERSLCAM-MRXNPFEDSA-N 2 0 278.465 2.899 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414850089 233377214 /nfs/dbraw/zinc/37/72/14/233377214.db2.gz HPBPREKSMWNKLY-INIZCTEOSA-N 2 0 274.408 2.565 20 0 CFADRP FC(F)COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414851612 233378780 /nfs/dbraw/zinc/37/87/80/233378780.db2.gz OLQTZKBOZWXOHC-CYBMUJFWSA-N 2 0 298.377 2.810 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414853050 233379459 /nfs/dbraw/zinc/37/94/59/233379459.db2.gz KOJSJEQIQMOJOF-OLZOCXBDSA-N 2 0 250.361 2.612 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCCCCC1 ZINC000414858724 233381412 /nfs/dbraw/zinc/38/14/12/233381412.db2.gz KVQIJKKNTCRUPL-KFWWJZLASA-N 2 0 278.440 2.585 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000414858554 233381997 /nfs/dbraw/zinc/38/19/97/233381997.db2.gz RXVMTVFKJXJUIR-UKRRQHHQSA-N 2 0 284.407 2.554 20 0 CFADRP COCC1(C[NH2+][C@@H](C)Cc2ccccc2C)CC[NH2+]CC1 ZINC000414974663 233422874 /nfs/dbraw/zinc/42/28/74/233422874.db2.gz MMPUBIKTKFKUII-INIZCTEOSA-N 2 0 290.451 2.532 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415004216 233431876 /nfs/dbraw/zinc/43/18/76/233431876.db2.gz XXRAXZWKZKTFGS-YPMHNXCESA-N 2 0 284.350 2.895 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415044460 233445246 /nfs/dbraw/zinc/44/52/46/233445246.db2.gz SRCOERHHSMRVSS-KYOSRNDESA-N 2 0 266.816 2.988 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000415042797 233445533 /nfs/dbraw/zinc/44/55/33/233445533.db2.gz REORIKBRDZZINE-YPMHNXCESA-N 2 0 272.314 2.922 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000415030312 233442320 /nfs/dbraw/zinc/44/23/20/233442320.db2.gz FNSFTRQCFKZVEK-NHYWBVRUSA-N 2 0 273.355 2.591 20 0 CFADRP Cc1cc(CC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc(C)c1O ZINC000415107327 233468238 /nfs/dbraw/zinc/46/82/38/233468238.db2.gz OOONKGFEZZUFEC-ZBFHGGJFSA-N 2 0 276.424 2.672 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000415119806 233470793 /nfs/dbraw/zinc/47/07/93/233470793.db2.gz XLBHAHWTBUORSO-LLVKDONJSA-N 2 0 268.351 2.658 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000092381042 180372218 /nfs/dbraw/zinc/37/22/18/180372218.db2.gz OOLXRDOJPQCPDO-UHFFFAOYSA-N 2 0 290.407 2.579 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600169109 350529205 /nfs/dbraw/zinc/52/92/05/350529205.db2.gz QIMDUKRSFATZAS-KFWWJZLASA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000110649249 186309919 /nfs/dbraw/zinc/30/99/19/186309919.db2.gz SCLZZIXERURXBA-CYBMUJFWSA-N 2 0 285.391 2.901 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000110978811 186339144 /nfs/dbraw/zinc/33/91/44/186339144.db2.gz CVISITLECBPTLN-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP CC(C)[NH+]1CCC(N(C)CCC[NH+]2CCCCC2)CC1 ZINC000444568933 535153739 /nfs/dbraw/zinc/15/37/39/535153739.db2.gz DEDZIGFZHMRXPO-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC(C)(C)CC)CC[NH2+]CC1 ZINC000602023616 350834860 /nfs/dbraw/zinc/83/48/60/350834860.db2.gz YRILCRKCPLQXJY-CQSZACIVSA-N 2 0 298.471 2.724 20 0 CFADRP CSC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000602922043 351066896 /nfs/dbraw/zinc/06/68/96/351066896.db2.gz ONXANWFTNBTIFC-ZDUSSCGKSA-N 2 0 256.459 2.688 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565225001 290285055 /nfs/dbraw/zinc/28/50/55/290285055.db2.gz AYBBPTGMIGOOKL-AXFHLTTASA-N 2 0 252.324 2.823 20 0 CFADRP CC(C)OC(=O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603111408 351105951 /nfs/dbraw/zinc/10/59/51/351105951.db2.gz QGIGJARSMVTIIV-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCSCCOC)CC1 ZINC000602966468 351073565 /nfs/dbraw/zinc/07/35/65/351073565.db2.gz GNJIDRBABITKEM-UHFFFAOYSA-N 2 0 288.501 2.562 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000565237932 290287717 /nfs/dbraw/zinc/28/77/17/290287717.db2.gz MNSLGYMIFBEIMB-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cccnc3c2)CC[N@@H+]1C ZINC000608061473 351392119 /nfs/dbraw/zinc/39/21/19/351392119.db2.gz VZVFJNZGRQAWRW-BBRMVZONSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000130309792 187485257 /nfs/dbraw/zinc/48/52/57/187485257.db2.gz RUQZAATZMXFCQW-NHYWBVRUSA-N 2 0 268.351 2.580 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCCC(=O)OC(C)(C)C)CC1 ZINC000611395084 351682589 /nfs/dbraw/zinc/68/25/89/351682589.db2.gz KKEKVEJDYVZTQV-UHFFFAOYSA-N 2 0 298.471 2.962 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2(COC)CCCCC2)CC1 ZINC000668810542 539819827 /nfs/dbraw/zinc/81/98/27/539819827.db2.gz BZKHDPNGONYCEA-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214780 535166996 /nfs/dbraw/zinc/16/69/96/535166996.db2.gz RNKCEJGFTUOKJF-CQSZACIVSA-N 2 0 261.413 2.932 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122304730 187025633 /nfs/dbraw/zinc/02/56/33/187025633.db2.gz CFBMJHBHPXHBGP-AWEZNQCLSA-N 2 0 264.413 2.761 20 0 CFADRP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000668817965 539824457 /nfs/dbraw/zinc/82/44/57/539824457.db2.gz CZHFJGXOUTVCLB-GTPINHCMSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2ncccc2c1)C[NH+](C)C ZINC000291738904 198076516 /nfs/dbraw/zinc/07/65/16/198076516.db2.gz OPBWMRQCKWXGNI-ZDUSSCGKSA-N 2 0 257.381 2.522 20 0 CFADRP Cn1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000123051948 187068845 /nfs/dbraw/zinc/06/88/45/187068845.db2.gz WKCGHTPUBSDDRS-UHFFFAOYSA-N 2 0 283.419 2.911 20 0 CFADRP C[C@H](C[NH2+]C/C=C/c1ccc(F)cc1)C[NH+](C)C ZINC000291770894 198086969 /nfs/dbraw/zinc/08/69/69/198086969.db2.gz SSZBLPGONITFAT-MUBLQREKSA-N 2 0 250.361 2.626 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000122636221 187042439 /nfs/dbraw/zinc/04/24/39/187042439.db2.gz RBNYGAJQIMRHPT-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2cnn(C)c2)CC1 ZINC000122649693 187043616 /nfs/dbraw/zinc/04/36/16/187043616.db2.gz PLGXGWGIUNXSOJ-MRXNPFEDSA-N 2 0 278.444 2.583 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000122809496 187052986 /nfs/dbraw/zinc/05/29/86/187052986.db2.gz FPEQYGLJRWUNAE-INIZCTEOSA-N 2 0 290.455 2.509 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000123577553 187099233 /nfs/dbraw/zinc/09/92/33/187099233.db2.gz QWXVCQBDSLABHH-ZDUSSCGKSA-N 2 0 258.365 2.783 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC000614907914 352132118 /nfs/dbraw/zinc/13/21/18/352132118.db2.gz OCQOZYGQDLJONH-QGZVFWFLSA-N 2 0 295.515 2.913 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCSc3ccccc3)C2)C1 ZINC000292083458 198157093 /nfs/dbraw/zinc/15/70/93/198157093.db2.gz GAMAHCVRNLHFCG-MRXNPFEDSA-N 2 0 276.449 2.806 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292123062 198171649 /nfs/dbraw/zinc/17/16/49/198171649.db2.gz QPPXXDPQKBDLPR-OAHLLOKOSA-N 2 0 289.423 2.527 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3cccc(F)c3)C2)C1 ZINC000292130121 198174629 /nfs/dbraw/zinc/17/46/29/198174629.db2.gz LFECQJOQLYLWKO-KRWDZBQOSA-N 2 0 276.399 2.786 20 0 CFADRP Cc1cccc(CCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292166359 198188494 /nfs/dbraw/zinc/18/84/94/198188494.db2.gz PDFPXNWMEDFFBY-SFHVURJKSA-N 2 0 272.436 2.955 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000292196118 198199089 /nfs/dbraw/zinc/19/90/89/198199089.db2.gz RXMLFDCRMODWAA-KRWDZBQOSA-N 2 0 258.409 2.831 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)s1 ZINC000051693118 539953334 /nfs/dbraw/zinc/95/33/34/539953334.db2.gz UFLNKTQKGBPBMW-HUUUCTMMSA-N 2 0 253.415 2.680 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292251511 198218895 /nfs/dbraw/zinc/21/88/95/198218895.db2.gz XULGRPISMSUWTE-GOSISDBHSA-N 2 0 288.435 2.792 20 0 CFADRP CSCCC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000619613159 353040395 /nfs/dbraw/zinc/04/03/95/353040395.db2.gz XIPJSFIHNKCTEO-UHFFFAOYSA-N 2 0 296.480 2.812 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152230355 188003908 /nfs/dbraw/zinc/00/39/08/188003908.db2.gz FWADYYWYHXJUEF-WBVHZDCISA-N 2 0 298.434 2.692 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423447831 295855133 /nfs/dbraw/zinc/85/51/33/295855133.db2.gz ULPJYVONQMPQJI-FZMZJTMJSA-N 2 0 277.412 2.588 20 0 CFADRP CCOc1ccccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154787926 188161488 /nfs/dbraw/zinc/16/14/88/188161488.db2.gz MLXCIJRLVDDIFS-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP COC(=O)CCCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000348934372 290986244 /nfs/dbraw/zinc/98/62/44/290986244.db2.gz MJQSSWRIZKLFOO-UHFFFAOYSA-N 2 0 284.444 2.572 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000156177958 188246959 /nfs/dbraw/zinc/24/69/59/188246959.db2.gz HBHHISRGDNKVIT-HNNXBMFYSA-N 2 0 264.388 2.642 20 0 CFADRP Clc1cccc(CCCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000621248881 353308030 /nfs/dbraw/zinc/30/80/30/353308030.db2.gz BFAFUVRVHWQDNF-HUUCEWRRSA-N 2 0 278.827 2.814 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cncc(Cl)c1)CC[NH2+]CC2 ZINC000621776278 353422737 /nfs/dbraw/zinc/42/27/37/353422737.db2.gz HSTNHVBRZVWFPG-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000621780002 353423451 /nfs/dbraw/zinc/42/34/51/353423451.db2.gz MFVIMUYYJMNDDG-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292739832 198394861 /nfs/dbraw/zinc/39/48/61/198394861.db2.gz HHHNMARVVXRRGA-QGZVFWFLSA-N 2 0 258.409 2.831 20 0 CFADRP COc1ccncc1CNc1cc(C)nc(C2CC2)n1 ZINC000292746447 198397354 /nfs/dbraw/zinc/39/73/54/198397354.db2.gz NGWYQGKAIQVOSZ-UHFFFAOYSA-N 2 0 270.336 2.678 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000622043563 353468391 /nfs/dbraw/zinc/46/83/91/353468391.db2.gz DKJCXZQTSWUIAL-XDQVBPFNSA-N 2 0 272.383 2.932 20 0 CFADRP CC1CC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000622044711 353469170 /nfs/dbraw/zinc/46/91/70/353469170.db2.gz PVJDJMPDGQNLCU-SVXVCFNTSA-N 2 0 250.430 2.933 20 0 CFADRP CC1CC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000622044710 353469256 /nfs/dbraw/zinc/46/92/56/353469256.db2.gz PVJDJMPDGQNLCU-MTERUZRBSA-N 2 0 250.430 2.933 20 0 CFADRP Cn1cncc1CC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000623085868 353584861 /nfs/dbraw/zinc/58/48/61/353584861.db2.gz KAKYMSXLVFNQNR-UHFFFAOYSA-N 2 0 290.754 2.547 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccn1 ZINC000623357983 353623473 /nfs/dbraw/zinc/62/34/73/353623473.db2.gz KGYOSJKQNRZTGE-HNNXBMFYSA-N 2 0 275.440 2.992 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000623357552 353623755 /nfs/dbraw/zinc/62/37/55/353623755.db2.gz VDIDEGWZMZVMCB-BZUAXINKSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357961 353624064 /nfs/dbraw/zinc/62/40/64/353624064.db2.gz JFJBGYXDZZWHBY-IRXDYDNUSA-N 3 0 295.515 2.961 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)C[NH+]1CCCCC1 ZINC000623363764 353625628 /nfs/dbraw/zinc/62/56/28/353625628.db2.gz FAQYSFBBAWOMJA-AWEZNQCLSA-N 2 0 286.423 2.775 20 0 CFADRP C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000623364197 353625829 /nfs/dbraw/zinc/62/58/29/353625829.db2.gz YOLDFXOIBGQKHX-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623399291 353634865 /nfs/dbraw/zinc/63/48/65/353634865.db2.gz FJJWMHHBFLNGFV-INIZCTEOSA-N 2 0 283.504 2.961 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc32)CC1(C)C ZINC000623402780 353635835 /nfs/dbraw/zinc/63/58/35/353635835.db2.gz ZBCLTLNNXYGYGP-CABCVRRESA-N 2 0 258.409 2.789 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623404215 353635908 /nfs/dbraw/zinc/63/59/08/353635908.db2.gz UWBGFPVGBCSTGR-CVEARBPZSA-N 3 0 281.488 2.569 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402169 353635931 /nfs/dbraw/zinc/63/59/31/353635931.db2.gz AGZRKAUFDKXJLM-UKRRQHHQSA-N 2 0 276.424 2.786 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623417817 353639194 /nfs/dbraw/zinc/63/91/94/353639194.db2.gz RAWWGFQJGMHILS-HZPDHXFCSA-N 2 0 281.488 2.713 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426785 353641184 /nfs/dbraw/zinc/64/11/84/353641184.db2.gz ZYODUVAJVVQOIJ-RISCZKNCSA-N 2 0 279.428 2.685 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC1(C)C ZINC000623428204 353641559 /nfs/dbraw/zinc/64/15/59/353641559.db2.gz BTQXOVOGMWIFFZ-SJORKVTESA-N 2 0 290.451 2.615 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623428348 353641732 /nfs/dbraw/zinc/64/17/32/353641732.db2.gz HSJRNWWSKGGRIO-HOCLYGCPSA-N 2 0 270.461 2.636 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCCS2)CC1(C)C ZINC000623445769 353646980 /nfs/dbraw/zinc/64/69/80/353646980.db2.gz CTBIJZYBDYCIHN-TZMCWYRMSA-N 2 0 256.459 2.735 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338423 353618270 /nfs/dbraw/zinc/61/82/70/353618270.db2.gz ZUPMLOXRYJDDGD-UONOGXRCSA-N 2 0 295.496 2.813 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)CC1(C)C ZINC000623513511 353661153 /nfs/dbraw/zinc/66/11/53/353661153.db2.gz CDMCHRZPDJEHAC-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)CC1(C)C ZINC000623514879 353661832 /nfs/dbraw/zinc/66/18/32/353661832.db2.gz DAIVYRTUPSKCQC-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)CC1(C)C ZINC000623523082 353662600 /nfs/dbraw/zinc/66/26/00/353662600.db2.gz JFSKCKLZTYSDPQ-JTQLQIEISA-N 2 0 264.335 2.791 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COc3ccccc32)CC1(C)C ZINC000623526693 353663981 /nfs/dbraw/zinc/66/39/81/353663981.db2.gz OACFLVWEKFEYGX-ZIAGYGMSSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@H](CNCc1c(F)ccc(F)c1Cl)C[NH+](C)C ZINC000623530150 353665110 /nfs/dbraw/zinc/66/51/10/353665110.db2.gz OYRZNSAOSHCTQO-SECBINFHSA-N 2 0 276.758 2.906 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623539358 353667344 /nfs/dbraw/zinc/66/73/44/353667344.db2.gz KVMWIAISHXBPNA-XHSDSOJGSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623539356 353667659 /nfs/dbraw/zinc/66/76/59/353667659.db2.gz KVMWIAISHXBPNA-OAGGEKHMSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)CC1(C)C ZINC000623544212 353668452 /nfs/dbraw/zinc/66/84/52/353668452.db2.gz SLLLAKIGXHPSRF-LBPRGKRZSA-N 2 0 260.372 2.884 20 0 CFADRP Cc1cc(C)c(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623542438 353668473 /nfs/dbraw/zinc/66/84/73/353668473.db2.gz ANSWSLQQPSAMMA-OAHLLOKOSA-N 2 0 261.413 2.661 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)CC1(C)C ZINC000623559436 353671917 /nfs/dbraw/zinc/67/19/17/353671917.db2.gz ASGUTMHXFYEIIC-HOTGVXAUSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCCO1 ZINC000623561652 353672608 /nfs/dbraw/zinc/67/26/08/353672608.db2.gz UHGGUOUBOHWSPO-QLFBSQMISA-N 2 0 268.445 2.797 20 0 CFADRP COc1ccc(C)cc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656033 353697348 /nfs/dbraw/zinc/69/73/48/353697348.db2.gz LKOYGMOHEHYFTD-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623490736 353656015 /nfs/dbraw/zinc/65/60/15/353656015.db2.gz VODJBRILMNTLMR-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000623657341 353697784 /nfs/dbraw/zinc/69/77/84/353697784.db2.gz OGJJCBWDQQBUPZ-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623657278 353698162 /nfs/dbraw/zinc/69/81/62/353698162.db2.gz MQSAAYQRLJAIIP-SDADXPQNSA-N 2 0 250.430 2.743 20 0 CFADRP C/C=C/C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000623739745 353715410 /nfs/dbraw/zinc/71/54/10/353715410.db2.gz FLZFAZOXRWIRDJ-ONEGZZNKSA-N 2 0 293.842 2.758 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000623887763 353750034 /nfs/dbraw/zinc/75/00/34/353750034.db2.gz MQNUIZFIHKIFSN-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000623887761 353750151 /nfs/dbraw/zinc/75/01/51/353750151.db2.gz MQNUIZFIHKIFSN-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH+](C)C)CC1)[C@@H]1CCCCO1 ZINC000623923040 353759956 /nfs/dbraw/zinc/75/99/56/353759956.db2.gz RFLVXNRVYNBBSD-LMPOIIKSSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCCCO1 ZINC000623853720 353740916 /nfs/dbraw/zinc/74/09/16/353740916.db2.gz FLLLUKUQPMLPEI-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000624100769 353806010 /nfs/dbraw/zinc/80/60/10/353806010.db2.gz DHAXVGJSFWPPAF-CGTJXYLNSA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc(C)cn2)[C@@H](C)C1 ZINC000624113051 353809006 /nfs/dbraw/zinc/80/90/06/353809006.db2.gz UXBPFRGTSIIREY-JKSUJKDBSA-N 2 0 289.467 2.988 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C12CCC2 ZINC000624121644 353811142 /nfs/dbraw/zinc/81/11/42/353811142.db2.gz ADBVWPXBTKROLT-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122599 353812338 /nfs/dbraw/zinc/81/23/38/353812338.db2.gz WNZZDOQQBZUJIV-HUUCEWRRSA-N 2 0 261.413 2.773 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCCC[N@H+](C)C3)C[C@H]2C1 ZINC000624123552 353813041 /nfs/dbraw/zinc/81/30/41/353813041.db2.gz NYGHVRNEKRSWFJ-UUAJXVIYSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000624124170 353813219 /nfs/dbraw/zinc/81/32/19/353813219.db2.gz YYFXURLVTQUKLF-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H]2CCC[C@H]21 ZINC000624200393 353833033 /nfs/dbraw/zinc/83/30/33/353833033.db2.gz KFHWEJHLDKBYCY-DBWAAGBOSA-N 2 0 262.441 2.885 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000624298592 353856401 /nfs/dbraw/zinc/85/64/01/353856401.db2.gz VLAQRTWUVRQOJV-MWQQHZPXSA-N 2 0 280.456 2.797 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624299607 353856841 /nfs/dbraw/zinc/85/68/41/353856841.db2.gz QFFKIEFNKSQSKR-VDHUWJSZSA-N 2 0 288.435 2.664 20 0 CFADRP CCO[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC000625215081 353996890 /nfs/dbraw/zinc/99/68/90/353996890.db2.gz ZQYLUEOGZRJSSW-FVQBIDKESA-N 2 0 268.445 2.606 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000625561850 354070349 /nfs/dbraw/zinc/07/03/49/354070349.db2.gz WUWVGHSNEZWGQP-WBVHZDCISA-N 2 0 282.472 2.734 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423423385 282997506 /nfs/dbraw/zinc/99/75/06/282997506.db2.gz CDLVQNNNZDMLBA-GVDBMIGSSA-N 2 0 274.383 2.791 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423257154 283006119 /nfs/dbraw/zinc/00/61/19/283006119.db2.gz HUJLERBMCKYYGJ-MLGOLLRUSA-N 2 0 262.372 2.792 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2cccc(F)c2)CC1 ZINC000271740569 191300075 /nfs/dbraw/zinc/30/00/75/191300075.db2.gz VGSFEYYEKGCVHO-DYVFJYSZSA-N 2 0 294.414 2.712 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3n[nH]cc32)C1 ZINC000628185845 354466474 /nfs/dbraw/zinc/46/64/74/354466474.db2.gz OBWHXPPNQOMWBO-AWEZNQCLSA-N 2 0 286.423 2.727 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628220799 354483954 /nfs/dbraw/zinc/48/39/54/354483954.db2.gz JZUCGSZSYQNFHD-UHFFFAOYSA-N 2 0 298.434 2.841 20 0 CFADRP Fc1ccccc1[C@@H]1CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335029481 283030619 /nfs/dbraw/zinc/03/06/19/283030619.db2.gz MVMJSUXJBZREBT-TZMCWYRMSA-N 2 0 262.372 2.803 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@]2(C)CCCS2)CC1 ZINC000628252114 354503791 /nfs/dbraw/zinc/50/37/91/354503791.db2.gz IHJLPJPSMVTDIU-UONOGXRCSA-N 2 0 256.459 2.688 20 0 CFADRP C[N@H+](C[C@]1(C)CCCS1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000628273143 354514220 /nfs/dbraw/zinc/51/42/20/354514220.db2.gz KCODPUBUFPXLRC-IXXDHKBRSA-N 2 0 268.470 2.829 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000628425145 354586024 /nfs/dbraw/zinc/58/60/24/354586024.db2.gz BMPKMNADPKQHBN-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000628425701 354586034 /nfs/dbraw/zinc/58/60/34/354586034.db2.gz SJQGYEBNHNLDQL-KRWDZBQOSA-N 2 0 275.440 2.644 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CS1 ZINC000628425800 354586175 /nfs/dbraw/zinc/58/61/75/354586175.db2.gz VTQWJUDMFHQCDC-KFWWJZLASA-N 2 0 270.486 2.838 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000629529237 354832969 /nfs/dbraw/zinc/83/29/69/354832969.db2.gz WGEOOBIPBCZYPG-MRVPVSSYSA-N 2 0 297.251 2.942 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389496 354800078 /nfs/dbraw/zinc/80/00/78/354800078.db2.gz YUMPXBHIMJPTOH-LSDHHAIUSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629389495 354800112 /nfs/dbraw/zinc/80/01/12/354800112.db2.gz YUMPXBHIMJPTOH-HUUCEWRRSA-N 2 0 268.445 2.689 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000629530999 354833923 /nfs/dbraw/zinc/83/39/23/354833923.db2.gz XCZWGHYFBQSVNH-HNNXBMFYSA-N 2 0 278.440 2.772 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629513776 354824789 /nfs/dbraw/zinc/82/47/89/354824789.db2.gz IAFKLSNHRDWSBF-VGWMRTNUSA-N 2 0 258.409 2.896 20 0 CFADRP [NH3+]C1(C[NH2+][C@H](CC2CC2)c2ccccc2)CCOCC1 ZINC000629519798 354826595 /nfs/dbraw/zinc/82/65/95/354826595.db2.gz COEVPKNZYRVBKP-MRXNPFEDSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)c2sccc21 ZINC000629520700 354827907 /nfs/dbraw/zinc/82/79/07/354827907.db2.gz LVFCRCZWLAIWFO-YPMHNXCESA-N 2 0 280.437 2.784 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522223 354827985 /nfs/dbraw/zinc/82/79/85/354827985.db2.gz XYRYUTNOWHSWRH-IRXDYDNUSA-N 2 0 288.435 2.969 20 0 CFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000629531630 354834148 /nfs/dbraw/zinc/83/41/48/354834148.db2.gz RWJXIVRWTOWFHX-KLHDSHLOSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522366 354828892 /nfs/dbraw/zinc/82/88/92/354828892.db2.gz YEBDWQMHVOLIKM-XJKSGUPXSA-N 2 0 274.408 2.723 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000629523604 354828907 /nfs/dbraw/zinc/82/89/07/354828907.db2.gz IIMQPGHRRGJWLU-AWEZNQCLSA-N 2 0 282.815 2.889 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CC2([NH3+])CCOCC2)C(C)C)cc1 ZINC000629524814 354829454 /nfs/dbraw/zinc/82/94/54/354829454.db2.gz QBNCKVWJXCSDOR-KRWDZBQOSA-N 2 0 290.451 2.660 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000629528571 354831771 /nfs/dbraw/zinc/83/17/71/354831771.db2.gz CNFSIKSSSPPIGS-JTQLQIEISA-N 2 0 291.222 2.880 20 0 CFADRP CCc1ccc([C@H]([NH2+]CCOCC[NH2+]C)C(C)C)cc1 ZINC000629529369 354832801 /nfs/dbraw/zinc/83/28/01/354832801.db2.gz AQTDVTFPWFANCI-QGZVFWFLSA-N 2 0 278.440 2.772 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000629530001 354832824 /nfs/dbraw/zinc/83/28/24/354832824.db2.gz SMTNJMGNHHHIRN-IBGZPJMESA-N 2 0 298.430 2.910 20 0 CFADRP COC1(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCCC1 ZINC000629655845 354879338 /nfs/dbraw/zinc/87/93/38/354879338.db2.gz XOYLMJNWGUJJMY-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC1=Cc3ccccc3OC1)C2 ZINC000629649456 354876286 /nfs/dbraw/zinc/87/62/86/354876286.db2.gz AUAIHCYJOFBSJT-WMZOPIPTSA-N 2 0 284.403 2.523 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CC1=Cc3ccccc3OC1)CC[NH2+]CC2 ZINC000629649859 354876633 /nfs/dbraw/zinc/87/66/33/354876633.db2.gz INIUCINATXAOKH-HNNXBMFYSA-N 2 0 298.430 2.926 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2c1 ZINC000629534572 354834892 /nfs/dbraw/zinc/83/48/92/354834892.db2.gz ARIYNOLKQXXSAV-PBHICJAKSA-N 2 0 283.419 2.960 20 0 CFADRP Oc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000629533068 354834905 /nfs/dbraw/zinc/83/49/05/354834905.db2.gz FVKQTMXYCMFMIR-STQMWFEESA-N 2 0 294.826 2.867 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc2c1 ZINC000629534584 354835157 /nfs/dbraw/zinc/83/51/57/354835157.db2.gz ARIYNOLKQXXSAV-RHSMWYFYSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(-c2ccncc2)c1 ZINC000629534857 354835688 /nfs/dbraw/zinc/83/56/88/354835688.db2.gz BVONOCUZUHXOSD-OAHLLOKOSA-N 2 0 299.418 2.765 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCOCCC[NH3+])c2sccc21 ZINC000629537424 354836537 /nfs/dbraw/zinc/83/65/37/354836537.db2.gz JIDZWMPTJDCKTB-AAEUAGOBSA-N 2 0 268.426 2.642 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000629537088 354836542 /nfs/dbraw/zinc/83/65/42/354836542.db2.gz IBLXBHGBRSVGCO-OLZOCXBDSA-N 2 0 284.831 2.787 20 0 CFADRP CCSc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629537054 354836950 /nfs/dbraw/zinc/83/69/50/354836950.db2.gz IXAQDWBDAWWJDM-CYBMUJFWSA-N 2 0 282.453 2.815 20 0 CFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000629540481 354838893 /nfs/dbraw/zinc/83/88/93/354838893.db2.gz UYQUYVRSQVKQIO-MRXNPFEDSA-N 2 0 276.424 2.636 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CN1 ZINC000629542408 354839554 /nfs/dbraw/zinc/83/95/54/354839554.db2.gz ZBCCKBALGZPSCL-GJEMEMOUSA-N 2 0 280.456 2.987 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629547531 354842434 /nfs/dbraw/zinc/84/24/34/354842434.db2.gz UHWUGSFKHLATKY-SNVBAGLBSA-N 2 0 296.358 2.610 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629546936 354842805 /nfs/dbraw/zinc/84/28/05/354842805.db2.gz RDQNUTGYLFZTJT-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548503 354843820 /nfs/dbraw/zinc/84/38/20/354843820.db2.gz PNRLUMKBBNJNRK-BHYGNILZSA-N 2 0 260.425 2.984 20 0 CFADRP C[C@@H]1C[NH+](CC[C@H]2CCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000629552473 354845816 /nfs/dbraw/zinc/84/58/16/354845816.db2.gz KLWRESWNYXHONH-JHJVBQTASA-N 2 0 260.372 2.599 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1C(F)(F)F ZINC000629565700 354848841 /nfs/dbraw/zinc/84/88/41/354848841.db2.gz XCWWUJIJZJDKNS-RKQHYHRCSA-N 2 0 290.373 2.882 20 0 CFADRP C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000629573272 354848890 /nfs/dbraw/zinc/84/88/90/354848890.db2.gz DBBSMMCREVPBTN-GFCCVEGCSA-N 2 0 280.362 2.952 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CC2CCCC2)CC[C@H]1C(F)(F)F ZINC000629565948 354849108 /nfs/dbraw/zinc/84/91/08/354849108.db2.gz XKLCGXOCESGNIP-NWDGAFQWSA-N 2 0 264.335 2.636 20 0 CFADRP CCOCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000629573458 354849188 /nfs/dbraw/zinc/84/91/88/354849188.db2.gz CXTKAIJFGLXWEY-YJBOKZPZSA-N 2 0 288.435 2.622 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000629571667 354849286 /nfs/dbraw/zinc/84/92/86/354849286.db2.gz OPLDTCBSBWJWES-NSHDSACASA-N 2 0 288.794 2.708 20 0 CFADRP CCOCC[N@H+](CCC[NH2+]C)[C@@H]1CCc2ccccc21 ZINC000629576480 354849337 /nfs/dbraw/zinc/84/93/37/354849337.db2.gz VOBIONAUOBTZBF-QGZVFWFLSA-N 2 0 276.424 2.622 20 0 CFADRP Oc1cccc2c1CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000629582060 354850768 /nfs/dbraw/zinc/85/07/68/354850768.db2.gz MZPUFYJMIBNGKT-UHFFFAOYSA-N 2 0 294.398 2.596 20 0 CFADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000629591572 354853318 /nfs/dbraw/zinc/85/33/18/354853318.db2.gz JTLCCXYLZSHYNJ-XDNAFOTISA-N 2 0 292.467 2.513 20 0 CFADRP CC(C)(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000629591895 354853375 /nfs/dbraw/zinc/85/33/75/354853375.db2.gz RIXVUINAABMROG-KRWDZBQOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc([C@H]([NH3+])CO)cc2)cc1F ZINC000629737659 354916915 /nfs/dbraw/zinc/91/69/15/354916915.db2.gz KXXQQOLQDHFSTD-QLJPJBMISA-N 2 0 274.339 2.505 20 0 CFADRP C[NH2+]CCn1cc(-c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000629697148 354898567 /nfs/dbraw/zinc/89/85/67/354898567.db2.gz UWXIYBAICWOGOZ-UHFFFAOYSA-N 2 0 298.434 2.755 20 0 CFADRP C[NH+](C)Cc1cccc(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000629707614 354902427 /nfs/dbraw/zinc/90/24/27/354902427.db2.gz VKZMXVQNGSLKMY-UHFFFAOYSA-N 2 0 273.405 2.517 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cccc([C@H]([NH3+])CO)c2)cc1F ZINC000629709377 354904162 /nfs/dbraw/zinc/90/41/62/354904162.db2.gz UQQZJPWJUQBUPN-QGZVFWFLSA-N 2 0 288.366 2.546 20 0 CFADRP [NH3+][C@H](Cc1ccccn1)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629723273 354908637 /nfs/dbraw/zinc/90/86/37/354908637.db2.gz LWDUUQWXFWBODZ-GOSISDBHSA-N 2 0 279.387 2.701 20 0 CFADRP CC1(c2ccc(C3=CC[NH2+]CC3)cc2)CC[NH2+]CC1 ZINC000629724101 354908911 /nfs/dbraw/zinc/90/89/11/354908911.db2.gz WJRZZXQGGZPJTK-UHFFFAOYSA-N 2 0 256.393 2.704 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(CO)cc3)cc2)CC1 ZINC000629729537 354910316 /nfs/dbraw/zinc/91/03/16/354910316.db2.gz SZCNXABDQCNYSC-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP CC(C)CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657297 354880528 /nfs/dbraw/zinc/88/05/28/354880528.db2.gz VXQAPIQRXNCIIH-NEPJUHHUSA-N 2 0 266.351 2.882 20 0 CFADRP CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000629657218 354880604 /nfs/dbraw/zinc/88/06/04/354880604.db2.gz UYPPQHDGKUWTEX-WDEREUQCSA-N 2 0 264.335 2.636 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423297160 295892477 /nfs/dbraw/zinc/89/24/77/295892477.db2.gz IZLOBRIJGKMUCS-SUMWQHHRSA-N 2 0 288.435 2.964 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000333276294 540072331 /nfs/dbraw/zinc/07/23/31/540072331.db2.gz LMSXYCHKZUKKCO-XJKCOSOUSA-N 2 0 259.397 2.793 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000228606229 540109535 /nfs/dbraw/zinc/10/95/35/540109535.db2.gz GOWVJXUOACSSDZ-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP COCc1csc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000667667214 540112546 /nfs/dbraw/zinc/11/25/46/540112546.db2.gz HSNFBJCZNNJMIB-JSGCOSHPSA-N 2 0 282.453 2.809 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccc1N(C)C ZINC000271833401 191356095 /nfs/dbraw/zinc/35/60/95/191356095.db2.gz FJKVLXKOBMUSQE-AWEZNQCLSA-N 2 0 273.424 2.665 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631063842 355271513 /nfs/dbraw/zinc/27/15/13/355271513.db2.gz NVDVULHNJPFGQZ-UHFFFAOYSA-N 2 0 283.366 2.841 20 0 CFADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631114553 355299030 /nfs/dbraw/zinc/29/90/30/355299030.db2.gz FMUILTLVIHUTQI-UHFFFAOYSA-N 2 0 291.439 2.922 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1F ZINC000271901784 191399168 /nfs/dbraw/zinc/39/91/68/191399168.db2.gz VUPIAGCOZJGKOF-LLVKDONJSA-N 2 0 266.335 2.877 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1csc(C)c1C ZINC000631087567 355285528 /nfs/dbraw/zinc/28/55/28/355285528.db2.gz YUGXHWRMBNSAQG-HNNXBMFYSA-N 2 0 284.469 2.811 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000631565527 355490578 /nfs/dbraw/zinc/49/05/78/355490578.db2.gz GEXHFULFCXECGZ-UGSOOPFHSA-N 2 0 286.419 2.756 20 0 CFADRP C1CCC2(C1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000631569974 355492154 /nfs/dbraw/zinc/49/21/54/355492154.db2.gz OFWPLUCRMIPAEY-NRKLIOEPSA-N 2 0 290.451 2.551 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631571651 355494039 /nfs/dbraw/zinc/49/40/39/355494039.db2.gz HHIABLDXFHXRCV-RHSMWYFYSA-N 2 0 273.424 2.781 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631589906 355505387 /nfs/dbraw/zinc/50/53/87/355505387.db2.gz FODVGWASNZOGFX-IRXDYDNUSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn[nH]c1 ZINC000631666024 355537671 /nfs/dbraw/zinc/53/76/71/355537671.db2.gz ZHCCCKMPZKGVQF-RLFYNMQTSA-N 2 0 298.434 2.828 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000631667869 355540162 /nfs/dbraw/zinc/54/01/62/355540162.db2.gz SRHGUZSQRVRMMX-PVAVHDDUSA-N 2 0 290.476 2.850 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000335918102 283106512 /nfs/dbraw/zinc/10/65/12/283106512.db2.gz GSJHCGOSVDFHGH-JKSUJKDBSA-N 2 0 278.440 2.506 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCc4ncccc43)ccc12 ZINC000631636294 355525458 /nfs/dbraw/zinc/52/54/58/355525458.db2.gz BVIHRPDSAPWLBY-QGZVFWFLSA-N 2 0 278.359 2.897 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887369 355614991 /nfs/dbraw/zinc/61/49/91/355614991.db2.gz QYFNHQKAAFXKIN-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCC(F)(F)C1)CC[NH2+]CC2 ZINC000631828948 355597576 /nfs/dbraw/zinc/59/75/76/355597576.db2.gz CISQIGHOGBDFII-STQMWFEESA-N 2 0 272.383 2.886 20 0 CFADRP [NH3+][C@H]1CCCCC[N@H+](CCCOCc2ccccc2)C1 ZINC000631835199 355599572 /nfs/dbraw/zinc/59/95/72/355599572.db2.gz ONVHHXWQAARJRT-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc2)n1 ZINC000631841214 355602427 /nfs/dbraw/zinc/60/24/27/355602427.db2.gz ZUCWZPWOVQVGMB-CXAGYDPISA-N 2 0 298.434 2.516 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CN1CCc1ccc2ccccc2c1 ZINC000631859496 355606090 /nfs/dbraw/zinc/60/60/90/355606090.db2.gz BBWKCPCYJJYSGF-DYVFJYSZSA-N 2 0 254.377 2.804 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CN1CCSc1cccc(Cl)c1 ZINC000631861864 355607893 /nfs/dbraw/zinc/60/78/93/355607893.db2.gz JDQGQXPWRPEFAE-JQWIXIFHSA-N 2 0 270.829 2.854 20 0 CFADRP Clc1cccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887286 355614120 /nfs/dbraw/zinc/61/41/20/355614120.db2.gz QDRIJBZYYDLFBX-BBRMVZONSA-N 2 0 294.826 2.793 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C1CCCCC1 ZINC000631890658 355617073 /nfs/dbraw/zinc/61/70/73/355617073.db2.gz RFUNRDJJWOWFTL-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000272515911 191763294 /nfs/dbraw/zinc/76/32/94/191763294.db2.gz HCNVNIPSEYMDHH-CQSZACIVSA-N 2 0 276.424 2.561 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](CC[NH+](C)C)OCC)c1cccnc1 ZINC000273575684 192210452 /nfs/dbraw/zinc/21/04/52/192210452.db2.gz LSYIOCQTVCTOIT-SJORKVTESA-N 2 0 293.455 2.869 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000334846836 540253765 /nfs/dbraw/zinc/25/37/65/540253765.db2.gz ROBOADJIGVPBFI-QWHCGFSZSA-N 2 0 262.328 2.931 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2s1 ZINC000334849666 540253960 /nfs/dbraw/zinc/25/39/60/540253960.db2.gz YEZHZKSRHQIFIQ-CHWSQXEVSA-N 2 0 275.421 2.964 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000336319838 540254214 /nfs/dbraw/zinc/25/42/14/540254214.db2.gz BGNUWGPPQGBOSC-MRXNPFEDSA-N 2 0 260.356 2.665 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000334871081 297283221 /nfs/dbraw/zinc/28/32/21/297283221.db2.gz XRZLZMSUHZKOLA-YYJSSNLHSA-N 2 0 264.335 2.838 20 0 CFADRP CC[NH+]1CCC(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274413059 192581573 /nfs/dbraw/zinc/58/15/73/192581573.db2.gz FBOJBLLWTJXFFY-QAPCUYQASA-N 2 0 289.467 2.752 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CC3CCC(C(F)(F)F)CC3)C[C@@H]2C1 ZINC000193622513 283212626 /nfs/dbraw/zinc/21/26/26/283212626.db2.gz WMLYSLURIBEBJA-AKJUYKBHSA-N 2 0 290.373 2.849 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702620 283214676 /nfs/dbraw/zinc/21/46/76/283214676.db2.gz FLCDOQDVZGVRAV-HZPDHXFCSA-N 2 0 269.477 2.619 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339072578 540281902 /nfs/dbraw/zinc/28/19/02/540281902.db2.gz YBIPZEMJNSTCQJ-ZACQAIPSSA-N 2 0 288.435 2.979 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000339066776 540282489 /nfs/dbraw/zinc/28/24/89/540282489.db2.gz KDDQFVNOSXTDTO-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339067159 540282532 /nfs/dbraw/zinc/28/25/32/540282532.db2.gz GWQOFCLVUGXDDE-AOIWGVFYSA-N 2 0 299.462 2.729 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000339068492 540282704 /nfs/dbraw/zinc/28/27/04/540282704.db2.gz LAYZLALLAJFMTM-FGTMMUONSA-N 2 0 293.499 2.713 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339067160 540283179 /nfs/dbraw/zinc/28/31/79/540283179.db2.gz GWQOFCLVUGXDDE-LMMKCTJWSA-N 2 0 299.462 2.729 20 0 CFADRP c1ccc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000339068658 540283485 /nfs/dbraw/zinc/28/34/85/540283485.db2.gz OSIROHOUQGZFCS-GJZGRUSLSA-N 2 0 298.434 2.712 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339068779 540283789 /nfs/dbraw/zinc/28/37/89/540283789.db2.gz NEVNTVFARUNFKR-AOIWGVFYSA-N 2 0 299.462 2.872 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000352721899 291122887 /nfs/dbraw/zinc/12/28/87/291122887.db2.gz MOUOUULVYRYGBV-DOTOQJQBSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157284558 283321786 /nfs/dbraw/zinc/32/17/86/283321786.db2.gz LHEITCMRGLRZCC-SJORKVTESA-N 2 0 273.424 2.595 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(C)ccc2OC)CC[C@@H]1[NH3+] ZINC000147495757 540390699 /nfs/dbraw/zinc/39/06/99/540390699.db2.gz WAZTUVAYPOMDLP-HIFRSBDPSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000294732353 199156501 /nfs/dbraw/zinc/15/65/01/199156501.db2.gz DLFINODWFGQSLF-HZTRTUMWSA-N 2 0 288.435 2.841 20 0 CFADRP C[C@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422753184 299277331 /nfs/dbraw/zinc/27/73/31/299277331.db2.gz FTKRBZNXMIWUOA-HRCADAONSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]1C[C@H](NCC[NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000423265907 291146227 /nfs/dbraw/zinc/14/62/27/291146227.db2.gz BJNBBYHZVPGPMT-HOCLYGCPSA-N 2 0 279.472 2.514 20 0 CFADRP Oc1ccc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420297871 236606801 /nfs/dbraw/zinc/60/68/01/236606801.db2.gz DQUKHAPHGQCLFP-CQSZACIVSA-N 2 0 274.408 2.571 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000420367750 236630177 /nfs/dbraw/zinc/63/01/77/236630177.db2.gz VZKSGHXJERICMJ-AEFFLSMTSA-N 2 0 287.451 2.953 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420390684 236637286 /nfs/dbraw/zinc/63/72/86/236637286.db2.gz ADMMNSOKWWTSTI-HOTGVXAUSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCC1)C1C[NH2+]C1 ZINC000422900299 299286012 /nfs/dbraw/zinc/28/60/12/299286012.db2.gz ALEOFGAZYWYSBT-LBPRGKRZSA-N 2 0 278.827 2.959 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000335561701 283412847 /nfs/dbraw/zinc/41/28/47/283412847.db2.gz PPTXXECYTMOBGV-QIMFLAQGSA-N 2 0 264.344 2.509 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678428491 540432923 /nfs/dbraw/zinc/43/29/23/540432923.db2.gz UAZYXKRNFMKHMR-ZIAGYGMSSA-N 2 0 261.413 2.771 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000247096617 299289019 /nfs/dbraw/zinc/28/90/19/299289019.db2.gz PTCGRTCFPSPGEO-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000309069807 283431154 /nfs/dbraw/zinc/43/11/54/283431154.db2.gz BJPPLJYTVOHUQX-SECBINFHSA-N 2 0 289.242 2.826 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000152199434 540445465 /nfs/dbraw/zinc/44/54/65/540445465.db2.gz FKUCXHPPTDYOKH-NEPJUHHUSA-N 2 0 279.428 2.542 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000678586776 540460718 /nfs/dbraw/zinc/46/07/18/540460718.db2.gz DOFYIFGZIFRZND-RVKKMQEKSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cncs1 ZINC000162853509 299290694 /nfs/dbraw/zinc/29/06/94/299290694.db2.gz NANZUHHGAKQASD-IHRRRGAJSA-N 2 0 297.468 2.683 20 0 CFADRP C[C@@H]1C[C@@H](C)N(Cc2cc(C(C)(C)C)on2)C[C@H]1C[NH3+] ZINC000422639227 237116937 /nfs/dbraw/zinc/11/69/37/237116937.db2.gz SKLRSTWMSCNRCC-JHJVBQTASA-N 2 0 279.428 2.777 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000422736118 237147287 /nfs/dbraw/zinc/14/72/87/237147287.db2.gz XGHOICYVVPOPBO-NRUUGDAUSA-N 2 0 267.442 2.799 20 0 CFADRP CC(C)CCO[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245688838 540520176 /nfs/dbraw/zinc/52/01/76/540520176.db2.gz VPKMOKNCFSTNKI-HZPDHXFCSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]([NH2+]CCCCCOC1CCCCC1)C1C[NH2+]C1 ZINC000422702102 237121658 /nfs/dbraw/zinc/12/16/58/237121658.db2.gz DFGXKWXABXSZKF-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000422710588 237128925 /nfs/dbraw/zinc/12/89/25/237128925.db2.gz LOBKIMUACWLGFG-GOEBONIOSA-N 2 0 278.440 2.696 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000422712052 237130106 /nfs/dbraw/zinc/13/01/06/237130106.db2.gz NTPHLQWTFDMRQW-YESZJQIVSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422713306 237132012 /nfs/dbraw/zinc/13/20/12/237132012.db2.gz JJWCDLRYPUZTPS-SWLSCSKDSA-N 2 0 282.815 2.697 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000422726807 237141259 /nfs/dbraw/zinc/14/12/59/237141259.db2.gz GAASVWKALGMPMQ-QZTJIDSGSA-N 2 0 294.398 2.898 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422770613 237184842 /nfs/dbraw/zinc/18/48/42/237184842.db2.gz UXEPGWQJQQCIII-POJUEXTFSA-N 2 0 285.391 2.957 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422769006 237186731 /nfs/dbraw/zinc/18/67/31/237186731.db2.gz ZWOIUYVOEFWLII-KSZLIROESA-N 2 0 288.435 2.884 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422774786 237192265 /nfs/dbraw/zinc/19/22/65/237192265.db2.gz YLQGQNUGRHQBPO-ZDUSSCGKSA-N 2 0 252.427 2.804 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccc(F)cc1 ZINC000422745714 237159332 /nfs/dbraw/zinc/15/93/32/237159332.db2.gz VOEOMTQKQIYQNI-ZENOOKHLSA-N 2 0 264.388 2.907 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000422750846 237165290 /nfs/dbraw/zinc/16/52/90/237165290.db2.gz DRNNAWDDRFPHOO-AWEZNQCLSA-N 2 0 292.471 2.618 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000422750728 237165781 /nfs/dbraw/zinc/16/57/81/237165781.db2.gz BIUNGSRHJHOTIF-KBPBESRZSA-N 2 0 259.397 2.747 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000422750731 237166363 /nfs/dbraw/zinc/16/63/63/237166363.db2.gz BIUNGSRHJHOTIF-ZIAGYGMSSA-N 2 0 259.397 2.747 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCn1ccc2ccccc21 ZINC000422750730 237166525 /nfs/dbraw/zinc/16/65/25/237166525.db2.gz BIUNGSRHJHOTIF-UONOGXRCSA-N 2 0 259.397 2.747 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422753470 237168251 /nfs/dbraw/zinc/16/82/51/237168251.db2.gz IJFCJZGSBYHOHZ-HOTGVXAUSA-N 2 0 261.413 2.738 20 0 CFADRP C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422754809 237168372 /nfs/dbraw/zinc/16/83/72/237168372.db2.gz GEVSECWSDBVNCV-MNOVXSKESA-N 2 0 297.240 2.578 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422757663 237173838 /nfs/dbraw/zinc/17/38/38/237173838.db2.gz IABNELRGJXSEIB-VILUFWDLSA-N 2 0 260.356 2.686 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422762650 237177293 /nfs/dbraw/zinc/17/72/93/237177293.db2.gz SIOODOJHRXDSAC-HIFRSBDPSA-N 2 0 264.438 2.886 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422764891 237177434 /nfs/dbraw/zinc/17/74/34/237177434.db2.gz OSNZQAQNGSYXSL-KTFSGNIMSA-N 2 0 258.409 2.971 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000422775248 237191882 /nfs/dbraw/zinc/19/18/82/237191882.db2.gz AUWIMUZSWWBFFV-SZMVWBNQSA-N 2 0 289.467 2.575 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1F ZINC000422796200 237218359 /nfs/dbraw/zinc/21/83/59/237218359.db2.gz XRXHXLKYUUMNBW-UMVBOHGHSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000422794839 237219025 /nfs/dbraw/zinc/21/90/25/237219025.db2.gz GZKGYPKIBYGSBP-CWRNSKLLSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000422794691 237219128 /nfs/dbraw/zinc/21/91/28/237219128.db2.gz UQUSHBNTELSCAL-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422794882 237219381 /nfs/dbraw/zinc/21/93/81/237219381.db2.gz HEJUCSPHARSFRT-XUJVJEKNSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422799130 237225921 /nfs/dbraw/zinc/22/59/21/237225921.db2.gz VIJITECTWSOFOB-WCQYABFASA-N 2 0 284.350 2.766 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2cc(C)ccc2C)CC[C@H]1[NH3+] ZINC000251842829 540552749 /nfs/dbraw/zinc/55/27/49/540552749.db2.gz QZHNPQLDLNUEGV-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422776208 237194084 /nfs/dbraw/zinc/19/40/84/237194084.db2.gz DJWYVIZVDCCZCC-BPLDGKMQSA-N 2 0 293.842 2.778 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776318 237195670 /nfs/dbraw/zinc/19/56/70/237195670.db2.gz ABGUYTDPYPWERF-COPLHBTASA-N 2 0 270.804 2.743 20 0 CFADRP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422804383 237227555 /nfs/dbraw/zinc/22/75/55/237227555.db2.gz KIMDRXXBTLEWLP-ARFHVFGLSA-N 2 0 280.362 2.975 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422776061 237196531 /nfs/dbraw/zinc/19/65/31/237196531.db2.gz CBBAKRCCSHPZNS-MGPQQGTHSA-N 2 0 264.413 2.904 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC000422780282 237200052 /nfs/dbraw/zinc/20/00/52/237200052.db2.gz JHXNYWAOZZZHNP-CZUORRHYSA-N 2 0 271.408 2.736 20 0 CFADRP C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422782594 237202260 /nfs/dbraw/zinc/20/22/60/237202260.db2.gz JUFLESJCDXOANG-YQQAZPJKSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H](C)CCC[NH3+])c[nH]c21 ZINC000422790512 237212419 /nfs/dbraw/zinc/21/24/19/237212419.db2.gz UUGYUZHPKLADOC-ZDUSSCGKSA-N 2 0 259.397 2.736 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422792923 237215675 /nfs/dbraw/zinc/21/56/75/237215675.db2.gz DYCPWJLGRRFFJI-NXEZZACHSA-N 2 0 260.303 2.921 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422795527 237217036 /nfs/dbraw/zinc/21/70/36/237217036.db2.gz VWPHLWCDRSEOLW-ILXRZTDVSA-N 2 0 292.423 2.570 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)c2ccccc21 ZINC000422818571 237245020 /nfs/dbraw/zinc/24/50/20/237245020.db2.gz KUANOUZGRAZPIE-DLBZAZTESA-N 2 0 292.386 2.611 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422817301 237247479 /nfs/dbraw/zinc/24/74/79/237247479.db2.gz CUOLJFIWLOSWBV-CABCVRRESA-N 2 0 268.351 2.757 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252418385 540562252 /nfs/dbraw/zinc/56/22/52/540562252.db2.gz VRRHQXGVYAGWRK-TZMCWYRMSA-N 2 0 250.411 2.712 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422825966 237254154 /nfs/dbraw/zinc/25/41/54/237254154.db2.gz QIZVCWVPBZVZSE-MSOLQXFVSA-N 2 0 298.434 2.664 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422827438 237254707 /nfs/dbraw/zinc/25/47/07/237254707.db2.gz DRNLJDBCFTYIPD-YOEHRIQHSA-N 2 0 294.414 2.962 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCCOc1ccc(F)cc1 ZINC000422826848 237255299 /nfs/dbraw/zinc/25/52/99/237255299.db2.gz CVPQYMDRCLTXLQ-ZDUSSCGKSA-N 2 0 268.376 2.702 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252419088 540563395 /nfs/dbraw/zinc/56/33/95/540563395.db2.gz YCEYBAMOHYYVRC-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP c1ccc2c(c1)CCS[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422829386 237256877 /nfs/dbraw/zinc/25/68/77/237256877.db2.gz BXSZVQDRUFXHFF-MYSGWJLTSA-N 2 0 288.460 2.890 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000252658188 540566164 /nfs/dbraw/zinc/56/61/64/540566164.db2.gz WEIKCKDDSXNPEU-RBSFLKMASA-N 2 0 293.480 2.894 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422809865 237235511 /nfs/dbraw/zinc/23/55/11/237235511.db2.gz SNGCPHAQEWBQDS-AVGNSLFASA-N 2 0 289.423 2.812 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000422811576 237235782 /nfs/dbraw/zinc/23/57/82/237235782.db2.gz PHCLNTKIAJLJLG-ABAIWWIYSA-N 2 0 279.428 2.560 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422838280 237262581 /nfs/dbraw/zinc/26/25/81/237262581.db2.gz NZTXNOGBGAPQSC-NBOOPKSLSA-N 2 0 289.467 2.755 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422814571 237241028 /nfs/dbraw/zinc/24/10/28/237241028.db2.gz VLBCKZRPOJNQJX-ROUUACIJSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000422854655 237276245 /nfs/dbraw/zinc/27/62/45/237276245.db2.gz ULVSORMKDLAKIV-TXCZRRACSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422855652 237276961 /nfs/dbraw/zinc/27/69/61/237276961.db2.gz CXKLTAXFHNPICI-DOTOQJQBSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422854671 237277714 /nfs/dbraw/zinc/27/77/14/237277714.db2.gz BDXNOVNVQOYHPZ-HLLBOEOZSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422859032 237278174 /nfs/dbraw/zinc/27/81/74/237278174.db2.gz JLPHFIYMJJDKGS-DFBDCSAJSA-N 2 0 293.499 2.760 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422860092 237279594 /nfs/dbraw/zinc/27/95/94/237279594.db2.gz HYEKATYTLGWGGK-WMLDXEAASA-N 2 0 298.434 2.973 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422861842 237281002 /nfs/dbraw/zinc/28/10/02/237281002.db2.gz NADGEKPMUYVGDP-DUQPFJRNSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952426 540596355 /nfs/dbraw/zinc/59/63/55/540596355.db2.gz VYMSVIHRIGKCHK-WBVHZDCISA-N 2 0 272.436 2.987 20 0 CFADRP FC(F)c1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954679 540597112 /nfs/dbraw/zinc/59/71/12/540597112.db2.gz ZBLVCVCYDJVBID-CYBMUJFWSA-N 2 0 266.335 2.856 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422874530 237296112 /nfs/dbraw/zinc/29/61/12/237296112.db2.gz AHJVXORCPDLVTQ-CJNGLKHVSA-N 2 0 262.397 2.563 20 0 CFADRP COC1CCC(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422842896 237267465 /nfs/dbraw/zinc/26/74/65/237267465.db2.gz ZLYSGWJKRUYCAK-IWCVFHTOSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000666853903 540587317 /nfs/dbraw/zinc/58/73/17/540587317.db2.gz JDMVUASYMJPCFM-JKSUJKDBSA-N 2 0 255.365 2.594 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000666857840 540587740 /nfs/dbraw/zinc/58/77/40/540587740.db2.gz LMYAOMDFCDIDLX-PQEBFOHHSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422892887 237314539 /nfs/dbraw/zinc/31/45/39/237314539.db2.gz ZPTJDXPFHFVSBS-KFWWJZLASA-N 2 0 293.480 2.813 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422892438 237317546 /nfs/dbraw/zinc/31/75/46/237317546.db2.gz YOZGIUGCIGUNKO-GWCFXTLKSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000422897931 237319157 /nfs/dbraw/zinc/31/91/57/237319157.db2.gz CZHBHUAPUOFFCJ-TUKIKUTGSA-N 2 0 290.432 2.743 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902022 237322258 /nfs/dbraw/zinc/32/22/58/237322258.db2.gz MHXSKLUGJMWFDD-HOTGVXAUSA-N 3 0 289.467 2.614 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422900124 237323783 /nfs/dbraw/zinc/32/37/83/237323783.db2.gz PXOHXHUHPISBNO-DOTOQJQBSA-N 2 0 276.424 2.871 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906709 237325965 /nfs/dbraw/zinc/32/59/65/237325965.db2.gz AHGZFGVEXMEWJL-IRXDYDNUSA-N 2 0 291.439 2.699 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422905897 237326349 /nfs/dbraw/zinc/32/63/49/237326349.db2.gz ZSLMEKPXJSRDRP-HOTGVXAUSA-N 2 0 289.467 2.675 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422905617 237327206 /nfs/dbraw/zinc/32/72/06/237327206.db2.gz ZKJHHGSDVAVEES-ILXRZTDVSA-N 2 0 264.413 2.786 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000422882819 237301438 /nfs/dbraw/zinc/30/14/38/237301438.db2.gz BARGHBPYTPZAFK-ZDUSSCGKSA-N 2 0 286.423 2.706 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422927636 237359510 /nfs/dbraw/zinc/35/95/10/237359510.db2.gz ZJWCSEMKHMXPRT-BBRMVZONSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(F)c1F ZINC000297295904 200138414 /nfs/dbraw/zinc/13/84/14/200138414.db2.gz HJENXWYMWQMPLX-JTQLQIEISA-N 2 0 254.324 2.615 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000422938288 237367913 /nfs/dbraw/zinc/36/79/13/237367913.db2.gz DNLNAWQLZUVBRL-CQSZACIVSA-N 2 0 282.815 2.673 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000422938855 237369021 /nfs/dbraw/zinc/36/90/21/237369021.db2.gz LARJWGGLGWEHDF-XHBSWPGZSA-N 2 0 262.397 2.862 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422945300 237373710 /nfs/dbraw/zinc/37/37/10/237373710.db2.gz NKRJSQHZKPAEMU-WBVHZDCISA-N 2 0 276.424 2.789 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422943520 237373736 /nfs/dbraw/zinc/37/37/36/237373736.db2.gz KOTIVMMZIDMWMK-TZMCWYRMSA-N 2 0 284.350 2.548 20 0 CFADRP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422915386 237342157 /nfs/dbraw/zinc/34/21/57/237342157.db2.gz XYGKALSTAHYOIJ-CHWSQXEVSA-N 2 0 274.412 2.834 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422915091 237342586 /nfs/dbraw/zinc/34/25/86/237342586.db2.gz XBMLCJPVVMCNHC-INIZCTEOSA-N 2 0 278.440 2.599 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422914951 237343187 /nfs/dbraw/zinc/34/31/87/237343187.db2.gz WUQRJLXXLKXYSX-GHMZBOCLSA-N 2 0 296.365 2.689 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000422919776 237349609 /nfs/dbraw/zinc/34/96/09/237349609.db2.gz KQBUXZLUTPTCKR-QXULXFAOSA-N 2 0 294.826 2.900 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000422976810 237401588 /nfs/dbraw/zinc/40/15/88/237401588.db2.gz DWWGFTCESCTJAU-KGLIPLIRSA-N 2 0 299.418 2.967 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000422947288 237377759 /nfs/dbraw/zinc/37/77/59/237377759.db2.gz YCYOCQCQYJQZEC-OLZOCXBDSA-N 2 0 280.412 2.872 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCOc1cccc2cccnc21 ZINC000422953125 237384416 /nfs/dbraw/zinc/38/44/16/237384416.db2.gz DGKZDTWHZIWTRH-AWEZNQCLSA-N 2 0 287.407 2.721 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCOc1cccc2cccnc21 ZINC000422958981 237385754 /nfs/dbraw/zinc/38/57/54/237385754.db2.gz ZVBFSRKZWCNFRJ-UONOGXRCSA-N 2 0 287.407 2.719 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC(F)(F)F ZINC000422959875 237391530 /nfs/dbraw/zinc/39/15/30/237391530.db2.gz AFTYQAMCIKZQMY-AAEUAGOBSA-N 2 0 274.330 2.877 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422995893 237423929 /nfs/dbraw/zinc/42/39/29/237423929.db2.gz ZUXINNBWUXFJSC-NVXWUHKLSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423016446 237441576 /nfs/dbraw/zinc/44/15/76/237441576.db2.gz SYHPYQUXTAHINN-ZBFHGGJFSA-N 2 0 289.423 2.620 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000423039485 237471821 /nfs/dbraw/zinc/47/18/21/237471821.db2.gz QLQHTKRJNDLWPH-MNOVXSKESA-N 2 0 255.431 2.662 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCO[C@H]1C1CC1 ZINC000423051746 237485144 /nfs/dbraw/zinc/48/51/44/237485144.db2.gz OZACQOIBDYKRNJ-HSFUPAIVSA-N 2 0 292.467 2.702 20 0 CFADRP CS[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036219 237466714 /nfs/dbraw/zinc/46/67/14/237466714.db2.gz SSBDDMCBAZWZOU-RWMBFGLXSA-N 2 0 258.475 2.884 20 0 CFADRP COCCCC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086757 237512633 /nfs/dbraw/zinc/51/26/33/237512633.db2.gz NYGQTWNBWNRDLY-YOEHRIQHSA-N 2 0 276.424 2.742 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423512177 283484583 /nfs/dbraw/zinc/48/45/83/283484583.db2.gz QRMGXCFQJIXGHY-HLUHBDAQSA-N 2 0 284.325 2.808 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000423488447 283484689 /nfs/dbraw/zinc/48/46/89/283484689.db2.gz DOHNOVIFDLKIQU-NQBHXWOUSA-N 2 0 250.411 2.843 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC000297762973 200276686 /nfs/dbraw/zinc/27/66/86/200276686.db2.gz OVSMFFQOWNVFPD-HOCLYGCPSA-N 2 0 296.480 2.944 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cs1 ZINC000297842225 200291291 /nfs/dbraw/zinc/29/12/91/200291291.db2.gz SLQBJBMXCHSKCB-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP COc1ccc(C(C)C)cc1CN(C)[C@H](C)C[NH3+] ZINC000259973203 540689899 /nfs/dbraw/zinc/68/98/99/540689899.db2.gz IFCKQFJSJOBJJQ-GFCCVEGCSA-N 2 0 250.386 2.598 20 0 CFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422964504 299305747 /nfs/dbraw/zinc/30/57/47/299305747.db2.gz LYUUMNPZZUNMGP-JYJNAYRXSA-N 2 0 291.439 2.537 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000435880066 240363187 /nfs/dbraw/zinc/36/31/87/240363187.db2.gz NCSXRDJDFXOPJD-UHFFFAOYSA-N 2 0 270.804 2.650 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000161791000 540698802 /nfs/dbraw/zinc/69/88/02/540698802.db2.gz CKFJCMWWDVNYJN-HIFRSBDPSA-N 2 0 274.408 2.612 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC000382139631 540701863 /nfs/dbraw/zinc/70/18/63/540701863.db2.gz PGJFTDHWKOPSFH-HZPDHXFCSA-N 2 0 270.461 2.636 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414835829 283542223 /nfs/dbraw/zinc/54/22/23/283542223.db2.gz IQDGBZGPSALZRM-KPPDAEKUSA-N 2 0 252.324 2.553 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177887489 189076583 /nfs/dbraw/zinc/07/65/83/189076583.db2.gz FWWVGNNEFTZOSO-CVEARBPZSA-N 2 0 276.424 2.755 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000435878783 240363746 /nfs/dbraw/zinc/36/37/46/240363746.db2.gz FYPZAXOYGBKYFF-UHFFFAOYSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422751174 296020886 /nfs/dbraw/zinc/02/08/86/296020886.db2.gz FJMZKLMEODPMJL-CVEARBPZSA-N 2 0 281.488 2.891 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(CCc2ccc(OC)cc2)CC1 ZINC000435871051 240364277 /nfs/dbraw/zinc/36/42/77/240364277.db2.gz IVXKSFXTQLQCEW-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414344318 540823533 /nfs/dbraw/zinc/82/35/33/540823533.db2.gz NWMFFNPLJSZGOQ-OKZBNKHCSA-N 2 0 287.451 2.506 20 0 CFADRP C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423096062 238198656 /nfs/dbraw/zinc/19/86/56/238198656.db2.gz NXDLUVVGAGMOEA-RYQLBKOJSA-N 2 0 293.499 2.904 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423122456 238212440 /nfs/dbraw/zinc/21/24/40/238212440.db2.gz CHDKNTJPVGZYBW-IAGOWNOFSA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423122324 238212751 /nfs/dbraw/zinc/21/27/51/238212751.db2.gz CEAIQEMTMRUGLF-SDADXPQNSA-N 2 0 262.372 2.789 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122883 238213081 /nfs/dbraw/zinc/21/30/81/238213081.db2.gz LKECXXXZDIXRIJ-SJXGUFTOSA-N 2 0 262.397 2.622 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423120617 238213612 /nfs/dbraw/zinc/21/36/12/238213612.db2.gz HIKGKFCYKRZEGF-DOTOQJQBSA-N 2 0 292.467 2.987 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423120619 238213964 /nfs/dbraw/zinc/21/39/64/238213964.db2.gz HIKGKFCYKRZEGF-RDJZCZTQSA-N 2 0 292.467 2.987 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414907778 540830489 /nfs/dbraw/zinc/83/04/89/540830489.db2.gz BAQHPRUGZQYZEO-CHWSQXEVSA-N 2 0 284.350 2.690 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000414925346 540830996 /nfs/dbraw/zinc/83/09/96/540830996.db2.gz LQDWFUKKOLBCJY-ATLSCFEFSA-N 2 0 293.499 2.889 20 0 CFADRP COCC(C)(C)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423126815 238217442 /nfs/dbraw/zinc/21/74/42/238217442.db2.gz OVYOBVHRKRBAQI-UHFFFAOYSA-N 2 0 256.434 2.546 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414930052 540831342 /nfs/dbraw/zinc/83/13/42/540831342.db2.gz SJBGTGGZCGABIY-IXDOHACOSA-N 2 0 294.414 2.633 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC000414934743 540831771 /nfs/dbraw/zinc/83/17/71/540831771.db2.gz YDJYISMAXAZPDF-HUUCEWRRSA-N 2 0 292.423 2.842 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000414932568 540831777 /nfs/dbraw/zinc/83/17/77/540831777.db2.gz VVYJDBITTAREKF-NEPJUHHUSA-N 2 0 256.752 2.839 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414933501 540831977 /nfs/dbraw/zinc/83/19/77/540831977.db2.gz WYFLPMBZHBMURR-NEPJUHHUSA-N 2 0 288.420 2.565 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423127869 238219244 /nfs/dbraw/zinc/21/92/44/238219244.db2.gz PVEXGDVJWLNPTL-KBPBESRZSA-N 2 0 256.434 2.546 20 0 CFADRP COCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(C)(C)C ZINC000423107861 238205005 /nfs/dbraw/zinc/20/50/05/238205005.db2.gz FNCDNTRQYHZEKM-JXQTWKCFSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+]CC1(O)CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000415138617 540834790 /nfs/dbraw/zinc/83/47/90/540834790.db2.gz HNBUDIJAJWPXPA-UHFFFAOYSA-N 2 0 296.414 2.639 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423112737 238206450 /nfs/dbraw/zinc/20/64/50/238206450.db2.gz KFDZCUAIOFHAGU-GOEBONIOSA-N 2 0 275.371 2.709 20 0 CFADRP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423111852 238206663 /nfs/dbraw/zinc/20/66/63/238206663.db2.gz WUBMTADXFVFSHV-RCBQFDQVSA-N 2 0 295.858 2.673 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)nc1 ZINC000179103705 189170020 /nfs/dbraw/zinc/17/00/20/189170020.db2.gz ORZWHFJGVORXDU-NWDGAFQWSA-N 2 0 279.815 2.870 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)[C@H]3CC[NH2+]C3)C2)cc1F ZINC000423116342 238207729 /nfs/dbraw/zinc/20/77/29/238207729.db2.gz PLWJWBAYTCGMLQ-MXAVVETBSA-N 2 0 292.398 2.668 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000423119074 238210787 /nfs/dbraw/zinc/21/07/87/238210787.db2.gz DCNQWPOGLSLFPL-VDSRIPIWSA-N 2 0 296.842 2.871 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H](CO)c2ccccc2Cl)CC1 ZINC000423118573 238210847 /nfs/dbraw/zinc/21/08/47/238210847.db2.gz BGFILZKNQJDFHN-ROKHWSDSSA-N 2 0 296.842 2.523 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000423119370 238211111 /nfs/dbraw/zinc/21/11/11/238211111.db2.gz DQVWNXFQNIMZEK-WBVHZDCISA-N 2 0 276.424 2.716 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118232 238211650 /nfs/dbraw/zinc/21/16/50/238211650.db2.gz ZMBOVDNZVQXUOY-NQUDHPLDSA-N 2 0 288.435 2.522 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158354 238241100 /nfs/dbraw/zinc/24/11/00/238241100.db2.gz WLVMOUCVKNTVLR-IINYFYTJSA-N 2 0 286.778 2.575 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423142414 238229043 /nfs/dbraw/zinc/22/90/43/238229043.db2.gz AKGBUDWSJKPOTO-OAHLLOKOSA-N 2 0 280.387 2.547 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000423142390 238229832 /nfs/dbraw/zinc/22/98/32/238229832.db2.gz AIIBSZNRRGQSRC-ZDUSSCGKSA-N 2 0 291.439 2.706 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423144437 238230832 /nfs/dbraw/zinc/23/08/32/238230832.db2.gz GWRAFMNJLFWEKE-CXMBCZLWSA-N 2 0 292.398 2.545 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145168 238231851 /nfs/dbraw/zinc/23/18/51/238231851.db2.gz JKZAQHCKZXRPER-BBRMVZONSA-N 2 0 262.372 2.920 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423151367 238235937 /nfs/dbraw/zinc/23/59/37/238235937.db2.gz KACDQYSQEPRVAK-SNVBAGLBSA-N 2 0 290.436 2.507 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423149020 238236605 /nfs/dbraw/zinc/23/66/05/238236605.db2.gz HDSMQMQUEUCOBK-KBAYOESNSA-N 2 0 287.451 2.833 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423149022 238237045 /nfs/dbraw/zinc/23/70/45/238237045.db2.gz HDSMQMQUEUCOBK-NXHRZFHOSA-N 2 0 287.451 2.833 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670266977 540847689 /nfs/dbraw/zinc/84/76/89/540847689.db2.gz LCRWFFTZTYBUJF-JKSUJKDBSA-N 2 0 283.504 2.532 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)c1 ZINC000423152676 238238630 /nfs/dbraw/zinc/23/86/30/238238630.db2.gz GDTYIJYMTXMFEI-QBYUYEEZSA-N 2 0 274.408 2.658 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000423176269 238254474 /nfs/dbraw/zinc/25/44/74/238254474.db2.gz GAHOMWRBMLTMAE-RMEBNNNOSA-N 2 0 268.445 2.543 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423158611 238242959 /nfs/dbraw/zinc/24/29/59/238242959.db2.gz OIRQNXVAAILJSL-RYUDHWBXSA-N 2 0 287.329 2.708 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1CC(F)(F)C1 ZINC000423160488 238244534 /nfs/dbraw/zinc/24/45/34/238244534.db2.gz HLLKDMSXPRJKSE-WFASDCNBSA-N 2 0 282.378 2.970 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423196105 238267776 /nfs/dbraw/zinc/26/77/76/238267776.db2.gz YWKIMEUSJVJWNM-LXZKKBNFSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423203661 238274463 /nfs/dbraw/zinc/27/44/63/238274463.db2.gz CTDZRYMQVCHQMD-RYUDHWBXSA-N 2 0 275.421 2.947 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C12CCC2 ZINC000166264585 540883587 /nfs/dbraw/zinc/88/35/87/540883587.db2.gz WHAUFXIHWCAFJN-NUEKZKHPSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc([C@@H]([NH2+]CC[C@H](C)[NH3+])C2CC2)ccc1F ZINC000423228257 238290511 /nfs/dbraw/zinc/29/05/11/238290511.db2.gz YXSOSORHASQMDH-NHYWBVRUSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423238676 238300352 /nfs/dbraw/zinc/30/03/52/238300352.db2.gz ANUVJRYTPPEYGE-KBPBESRZSA-N 2 0 258.409 2.826 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000423230563 238294385 /nfs/dbraw/zinc/29/43/85/238294385.db2.gz JLRYOJPMJXTSLG-UWVGGRQHSA-N 2 0 271.202 2.837 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166514763 540892240 /nfs/dbraw/zinc/89/22/40/540892240.db2.gz HRWVNGFZUNRANL-IAGOWNOFSA-N 2 0 288.435 2.980 20 0 CFADRP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179635152 189208906 /nfs/dbraw/zinc/20/89/06/189208906.db2.gz HPTYCYVBIGJZKY-JMPLCFMRSA-N 2 0 258.409 2.973 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218744 238284630 /nfs/dbraw/zinc/28/46/30/238284630.db2.gz VXWQMFYDNFJYEH-YJBOKZPZSA-N 2 0 288.435 2.606 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)[NH3+] ZINC000423222237 238286704 /nfs/dbraw/zinc/28/67/04/238286704.db2.gz AHYFIKAMDYOSGD-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423243370 238304494 /nfs/dbraw/zinc/30/44/94/238304494.db2.gz WFWMAZKHWBKSNM-IRXDYDNUSA-N 2 0 258.409 2.658 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1C(C)(C)C ZINC000423247248 238305968 /nfs/dbraw/zinc/30/59/68/238305968.db2.gz KWQSBWGTNWHHIX-GXTWGEPZSA-N 2 0 278.444 2.597 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000155754095 540904427 /nfs/dbraw/zinc/90/44/27/540904427.db2.gz YLSGESSCZPOOEW-ZBFHGGJFSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423250459 238307998 /nfs/dbraw/zinc/30/79/98/238307998.db2.gz QGOXQSLSOFRPDE-OHFALNGGSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423250461 238308923 /nfs/dbraw/zinc/30/89/23/238308923.db2.gz QGOXQSLSOFRPDE-OTRWWLKZSA-N 2 0 258.409 2.768 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423253870 238310693 /nfs/dbraw/zinc/31/06/93/238310693.db2.gz WQUBFYFEDMHLFT-RYUDHWBXSA-N 2 0 282.815 2.999 20 0 CFADRP COc1ccc(C[NH+](C)C)cc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155889904 540909576 /nfs/dbraw/zinc/90/95/76/540909576.db2.gz WNUDPTHOFFBNIK-DZGCQCFKSA-N 2 0 291.439 2.651 20 0 CFADRP C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ncc[nH]1 ZINC000353449771 540911236 /nfs/dbraw/zinc/91/12/36/540911236.db2.gz SMQWUGWWCRIQFA-CYBMUJFWSA-N 2 0 264.417 2.715 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423262725 238317773 /nfs/dbraw/zinc/31/77/73/238317773.db2.gz VWWISZUFYLUFFL-OLZOCXBDSA-N 2 0 250.361 2.866 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000389042878 540931650 /nfs/dbraw/zinc/93/16/50/540931650.db2.gz GIKKZTHQQIMXFW-IRXDYDNUSA-N 2 0 258.409 2.864 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000156528132 540932894 /nfs/dbraw/zinc/93/28/94/540932894.db2.gz ANHVLOOATCGIQE-UKRRQHHQSA-N 2 0 280.412 2.595 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423309951 238363744 /nfs/dbraw/zinc/36/37/44/238363744.db2.gz QXNYBHCSCDJSHD-KCXAZCMYSA-N 2 0 296.842 2.615 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C1CCSCC1 ZINC000423467393 299319626 /nfs/dbraw/zinc/31/96/26/299319626.db2.gz IVACZXMWHQSZOA-OBJOEFQTSA-N 2 0 256.459 2.625 20 0 CFADRP [NH3+]C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423285782 238346290 /nfs/dbraw/zinc/34/62/90/238346290.db2.gz YQZOTEHYPFERCV-RDGPPVDQSA-N 2 0 299.462 2.509 20 0 CFADRP Cc1cc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(C)n1 ZINC000357680638 540955763 /nfs/dbraw/zinc/95/57/63/540955763.db2.gz MHVMIYPEBJZGMQ-CXAGYDPISA-N 2 0 284.407 2.619 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000157614027 540956191 /nfs/dbraw/zinc/95/61/91/540956191.db2.gz CTAAWAYGWQGXND-DOTOQJQBSA-N 2 0 274.383 2.887 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000423294325 238351517 /nfs/dbraw/zinc/35/15/17/238351517.db2.gz UBMRJOLPRYYXGR-OLZOCXBDSA-N 2 0 255.365 2.952 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423297389 238354883 /nfs/dbraw/zinc/35/48/83/238354883.db2.gz KBJIQACCSSSWOV-ZJUUUORDSA-N 2 0 258.312 2.533 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOCc2ccccc2)CC1 ZINC000156901373 540941137 /nfs/dbraw/zinc/94/11/37/540941137.db2.gz JRJKXSUCJPLSSC-UHFFFAOYSA-N 2 0 276.424 2.667 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000356082865 540941572 /nfs/dbraw/zinc/94/15/72/540941572.db2.gz PSPPPKAIAFTVEM-OAHLLOKOSA-N 2 0 270.461 2.639 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423334122 238384932 /nfs/dbraw/zinc/38/49/32/238384932.db2.gz QNKMBQNPTLQDNP-CXAGYDPISA-N 2 0 292.423 2.744 20 0 CFADRP [NH3+][C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)C1CC1 ZINC000423333780 238385343 /nfs/dbraw/zinc/38/53/43/238385343.db2.gz VXLTZUMOAKLHDM-HOTGVXAUSA-N 2 0 278.827 2.988 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1F ZINC000423334081 238385928 /nfs/dbraw/zinc/38/59/28/238385928.db2.gz QKNDBBXGQGTXMN-GFCCVEGCSA-N 2 0 280.387 2.875 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125539 540979232 /nfs/dbraw/zinc/97/92/32/540979232.db2.gz NNGTWGDPSKACHG-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CC2([NH3+])CCC2)C2CC2)cc1 ZINC000423323379 238374996 /nfs/dbraw/zinc/37/49/96/238374996.db2.gz JHEJFFXKIDNJHT-INIZCTEOSA-N 2 0 258.409 2.787 20 0 CFADRP COC[C@@H]([NH2+]CCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423346618 238396794 /nfs/dbraw/zinc/39/67/94/238396794.db2.gz YXFJKXVRPDXLND-CYBMUJFWSA-N 2 0 290.329 2.721 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000666128462 541008676 /nfs/dbraw/zinc/00/86/76/541008676.db2.gz HICAUPUQBLHEBG-OWCLPIDISA-N 2 0 290.451 2.635 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423425875 238452596 /nfs/dbraw/zinc/45/25/96/238452596.db2.gz DNOGPOZDMQZRPW-GBESFXJTSA-N 2 0 284.447 2.985 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1C(C)(C)C ZINC000423470858 238476957 /nfs/dbraw/zinc/47/69/57/238476957.db2.gz ZIQUKJIOGUIBBA-RYUDHWBXSA-N 2 0 266.433 2.725 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000423432069 238454659 /nfs/dbraw/zinc/45/46/59/238454659.db2.gz WBEZTMVBJIKOMV-KKUMJFAQSA-N 2 0 261.413 2.806 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486421 238489646 /nfs/dbraw/zinc/48/96/46/238489646.db2.gz SQYIWQMQJCXXIO-BZUAXINKSA-N 2 0 290.455 2.568 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968315 189341321 /nfs/dbraw/zinc/34/13/21/189341321.db2.gz NIQZRASFLILCAH-KRWDZBQOSA-N 2 0 289.467 2.625 20 0 CFADRP COCC1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000666223112 541073681 /nfs/dbraw/zinc/07/36/81/541073681.db2.gz CUPYRWIQARXCLM-VQCLRJIVSA-N 2 0 268.445 2.512 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000671751216 541078862 /nfs/dbraw/zinc/07/88/62/541078862.db2.gz QOQGOJRQFFNIAG-MXGMQVIZSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000184345448 189383362 /nfs/dbraw/zinc/38/33/62/189383362.db2.gz PXZYPSGGHZILKT-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000184275845 189381554 /nfs/dbraw/zinc/38/15/54/189381554.db2.gz SCSGHCZNCMCYBL-ZIAGYGMSSA-N 2 0 259.397 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2cccc(F)c2)[C@H](C)C1 ZINC000184462497 189386474 /nfs/dbraw/zinc/38/64/74/189386474.db2.gz TYYMIDMNSAOHKM-RHSMWYFYSA-N 2 0 293.430 2.948 20 0 CFADRP Cn1nc(C[NH2+]C2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000671760761 541109469 /nfs/dbraw/zinc/10/94/69/541109469.db2.gz UZBQRNGDIVFEPY-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP CCC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccnc1 ZINC000184899625 189398458 /nfs/dbraw/zinc/39/84/58/189398458.db2.gz SPCQEIBTLQJFAG-MRXNPFEDSA-N 2 0 261.413 2.998 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000425362610 239027777 /nfs/dbraw/zinc/02/77/77/239027777.db2.gz VKGINFREYVJXHX-HOTGVXAUSA-N 2 0 294.464 2.611 20 0 CFADRP CO[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000425423630 239054714 /nfs/dbraw/zinc/05/47/14/239054714.db2.gz QWELKYGZMQVLOV-SFHVURJKSA-N 2 0 294.483 2.999 20 0 CFADRP [NH3+][C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000666787332 541143659 /nfs/dbraw/zinc/14/36/59/541143659.db2.gz GOFSXMLJQSZXGJ-OTWHNJEPSA-N 2 0 295.430 2.769 20 0 CFADRP [NH3+]C1(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCCC1 ZINC000666802884 541145621 /nfs/dbraw/zinc/14/56/21/541145621.db2.gz LIIKAQOEHVRPOE-IRXDYDNUSA-N 2 0 287.451 2.731 20 0 CFADRP CC(C)(C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000666843177 541150713 /nfs/dbraw/zinc/15/07/13/541150713.db2.gz QETGJCCIAMSZPT-KRWDZBQOSA-N 2 0 260.425 2.944 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000666857830 541152651 /nfs/dbraw/zinc/15/26/51/541152651.db2.gz LCWVIBCEVOTVHE-UKRRQHHQSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857728 541152936 /nfs/dbraw/zinc/15/29/36/541152936.db2.gz HDYSNMNATLDFMC-UONOGXRCSA-N 2 0 286.423 2.616 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666857900 541153028 /nfs/dbraw/zinc/15/30/28/541153028.db2.gz OXFSFXSGIFLAHK-CYBMUJFWSA-N 2 0 256.752 2.711 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950861 541165499 /nfs/dbraw/zinc/16/54/99/541165499.db2.gz NYLSTVWQTRVSDM-INIZCTEOSA-N 2 0 274.408 2.706 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952434 541165965 /nfs/dbraw/zinc/16/59/65/541165965.db2.gz WMONNHNBKSSBPG-MRXNPFEDSA-N 2 0 274.408 2.707 20 0 CFADRP Clc1ccsc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953625 541166354 /nfs/dbraw/zinc/16/63/54/541166354.db2.gz CJCISVFGCMCDBL-LLVKDONJSA-N 2 0 256.802 2.633 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953906 541166366 /nfs/dbraw/zinc/16/63/66/541166366.db2.gz KRBLDZHDDINVHA-GUYCJALGSA-N 2 0 298.434 2.616 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953896 541166403 /nfs/dbraw/zinc/16/64/03/541166403.db2.gz KLILYUUBQMCIFN-OCCSQVGLSA-N 2 0 264.438 2.801 20 0 CFADRP c1ccc(OCCCCC[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953833 541166606 /nfs/dbraw/zinc/16/66/06/541166606.db2.gz IPNUQKWXAMFZPU-QGZVFWFLSA-N 2 0 288.435 2.967 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)c2O1 ZINC000666954188 541166680 /nfs/dbraw/zinc/16/66/80/541166680.db2.gz RSHVUXCARQSTQT-HNNXBMFYSA-N 2 0 286.419 2.632 20 0 CFADRP c1cn(-c2ccccc2)c(CN[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000666993987 541170823 /nfs/dbraw/zinc/17/08/23/541170823.db2.gz ZQIPDMOTRDPKQV-OAHLLOKOSA-N 2 0 296.418 2.637 20 0 CFADRP O=c1[nH]c2ccccc2cc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998233 541171820 /nfs/dbraw/zinc/17/18/20/541171820.db2.gz IVWIQWVXWGEAAS-OAHLLOKOSA-N 2 0 297.402 2.705 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1cccc(F)c1)C[NH+](C)C ZINC000425916660 239138336 /nfs/dbraw/zinc/13/83/36/239138336.db2.gz BQXBKDWMSOHHLT-ZIAGYGMSSA-N 2 0 266.404 2.934 20 0 CFADRP Oc1ccc(C2CC[NH+](Cc3cnc4n3CCC4)CC2)cc1 ZINC000667493187 541242951 /nfs/dbraw/zinc/24/29/51/541242951.db2.gz LOROJTLLUQHQJI-UHFFFAOYSA-N 2 0 297.402 2.915 20 0 CFADRP Cc1ncc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)n1C ZINC000667662275 541282508 /nfs/dbraw/zinc/28/25/08/541282508.db2.gz DBXXXUVAKKXOHQ-KBXCAEBGSA-N 2 0 299.418 2.999 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000075801827 541284372 /nfs/dbraw/zinc/28/43/72/541284372.db2.gz QEYVXZCONSYBAU-ZDUSSCGKSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H](C[NH2+]CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000187612663 189471351 /nfs/dbraw/zinc/47/13/51/189471351.db2.gz QWDXYJIXAHWCIH-GFCCVEGCSA-N 2 0 254.805 2.985 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667853247 541328356 /nfs/dbraw/zinc/32/83/56/541328356.db2.gz YBJHGSPVMSJKPK-OWCLPIDISA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)C(C)(C)C ZINC000667864737 541330723 /nfs/dbraw/zinc/33/07/23/541330723.db2.gz IARRXMLPVPYKSS-KFWWJZLASA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667890329 541335559 /nfs/dbraw/zinc/33/55/59/541335559.db2.gz CXPPUHCXLVIHPC-MSOLQXFVSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CO[C@H](C2CC2)C1)C(C)C ZINC000667895755 541336893 /nfs/dbraw/zinc/33/68/93/541336893.db2.gz ACHLYSTULFGCKG-CVEARBPZSA-N 2 0 268.445 2.652 20 0 CFADRP Cc1cnc(C2CC[NH+](Cc3cnc(C)n3C)CC2)s1 ZINC000668065527 541377825 /nfs/dbraw/zinc/37/78/25/541377825.db2.gz LOQCOIPKFAWDNS-UHFFFAOYSA-N 2 0 290.436 2.873 20 0 CFADRP CC1=C[C@H](C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668098371 541382252 /nfs/dbraw/zinc/38/22/52/541382252.db2.gz HBEOQMUTPYGRTF-ZDUSSCGKSA-N 2 0 268.364 2.665 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000432414726 240002759 /nfs/dbraw/zinc/00/27/59/240002759.db2.gz AOLCDQOHLKCZJC-OBHHBEAMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432417859 240002873 /nfs/dbraw/zinc/00/28/73/240002873.db2.gz XODQPQPNSREYRB-PRLABOORSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432799229 240044809 /nfs/dbraw/zinc/04/48/09/240044809.db2.gz WJBCYNJECWJWDX-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP CCC(CC)(CC)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433150534 240110905 /nfs/dbraw/zinc/11/09/05/240110905.db2.gz LRIGQHIPLYEUPT-UHFFFAOYSA-N 2 0 297.487 2.522 20 0 CFADRP CC(C)CCC[C@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433159781 240113122 /nfs/dbraw/zinc/11/31/22/240113122.db2.gz FQTWXULSXOGACK-HNNXBMFYSA-N 2 0 297.487 2.521 20 0 CFADRP CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435368729 240305513 /nfs/dbraw/zinc/30/55/13/240305513.db2.gz BVHVWHHEHNIHCZ-QGZVFWFLSA-N 2 0 298.434 2.836 20 0 CFADRP CCSc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000435372572 240306297 /nfs/dbraw/zinc/30/62/97/240306297.db2.gz KGNFJPWIBMMGBV-CQSZACIVSA-N 2 0 264.438 2.969 20 0 CFADRP CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435371404 240308145 /nfs/dbraw/zinc/30/81/45/240308145.db2.gz MRZFXNHHTVYUBT-KRWDZBQOSA-N 2 0 298.434 2.836 20 0 CFADRP CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435386884 240309743 /nfs/dbraw/zinc/30/97/43/240309743.db2.gz VYUZTSGBSIGTAT-HNNXBMFYSA-N 2 0 250.361 2.790 20 0 CFADRP CCCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615432 240332152 /nfs/dbraw/zinc/33/21/52/240332152.db2.gz HVCHJJKERKAMIH-MRXNPFEDSA-N 2 0 261.413 2.826 20 0 CFADRP CC[N@H+](CCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000435625131 240336002 /nfs/dbraw/zinc/33/60/02/240336002.db2.gz KTSXGKOGPPGHPX-KRWDZBQOSA-N 2 0 288.435 2.628 20 0 CFADRP C[C@@H](N)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435724508 240343361 /nfs/dbraw/zinc/34/33/61/240343361.db2.gz CLEUETQCXWZJKZ-GFCCVEGCSA-N 2 0 286.379 2.742 20 0 CFADRP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)ccc1SC ZINC000435438434 240314326 /nfs/dbraw/zinc/31/43/26/240314326.db2.gz PUWFYMVZZUFQCM-AWEZNQCLSA-N 2 0 294.464 2.991 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442824940 241005278 /nfs/dbraw/zinc/00/52/78/241005278.db2.gz LYTHORRJJLZDOX-UHFFFAOYSA-N 2 0 258.356 2.662 20 0 CFADRP CSc1ccccc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000442860866 241011460 /nfs/dbraw/zinc/01/14/60/241011460.db2.gz XBWSQJARAATYDX-CYBMUJFWSA-N 2 0 282.453 2.637 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000442898006 241018372 /nfs/dbraw/zinc/01/83/72/241018372.db2.gz GRZSULYECRZGSI-ZDUSSCGKSA-N 2 0 288.395 2.539 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000442930570 241020514 /nfs/dbraw/zinc/02/05/14/241020514.db2.gz UOEQULBSFACGPJ-AWEZNQCLSA-N 2 0 284.407 2.638 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057386 241034068 /nfs/dbraw/zinc/03/40/68/241034068.db2.gz GOVJXZSKJWPYRW-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063923 241034814 /nfs/dbraw/zinc/03/48/14/241034814.db2.gz XLJYWAGVSQGNHN-MRXNPFEDSA-N 2 0 260.425 2.988 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]CCC2CCCCC2)CC1(C)C ZINC000443069035 241035171 /nfs/dbraw/zinc/03/51/71/241035171.db2.gz OELVNDRBHRPFIE-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CCc1cc(NC[C@@H](C)[NH+](C)C)c2ccccc2[nH+]1 ZINC000443442095 241063062 /nfs/dbraw/zinc/06/30/62/241063062.db2.gz GTXJPBHTEWKMGG-GFCCVEGCSA-N 2 0 257.381 2.581 20 0 CFADRP OCC[N@H+](CCC[NH+]1CCCCC1)CC1CCCCC1 ZINC000444629036 241157213 /nfs/dbraw/zinc/15/72/13/241157213.db2.gz JLYUKTUBVHJNAR-UHFFFAOYSA-N 2 0 282.472 2.737 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000423004100 288563551 /nfs/dbraw/zinc/56/35/51/288563551.db2.gz JDVYEIZDWPGQCJ-OCCSQVGLSA-N 2 0 268.401 2.637 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN([C@H](C)c2ccncc2)C1 ZINC000673713413 541506325 /nfs/dbraw/zinc/50/63/25/541506325.db2.gz CPVZQDUVAZALLX-HUUCEWRRSA-N 2 0 261.413 2.806 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446885200 241334922 /nfs/dbraw/zinc/33/49/22/241334922.db2.gz VAQLSTAQOVVFGB-UHFFFAOYSA-N 2 0 298.434 2.607 20 0 CFADRP c1sc(C2CC2)nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887252 241335877 /nfs/dbraw/zinc/33/58/77/241335877.db2.gz QAJXTOWZAYLOJL-UHFFFAOYSA-N 2 0 291.464 2.985 20 0 CFADRP COCCC(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000673811437 541514582 /nfs/dbraw/zinc/51/45/82/541514582.db2.gz YIYLONVRPHXPNC-UHFFFAOYSA-N 2 0 294.439 2.532 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]CCOCC[NH+](C)C ZINC000447602630 241391184 /nfs/dbraw/zinc/39/11/84/241391184.db2.gz TVZBUIAYWNLKMH-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CCOCC[NH+](C)C)C(C)C)cc1 ZINC000447604100 241391272 /nfs/dbraw/zinc/39/12/72/241391272.db2.gz YPIJOSXICKEVNN-GOSISDBHSA-N 2 0 292.467 2.730 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]CCOCC[NH+](C)C)C1CCCCC1 ZINC000447599225 241391801 /nfs/dbraw/zinc/39/18/01/241391801.db2.gz JMILBNNWZWOKNY-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000159843484 299369192 /nfs/dbraw/zinc/36/91/92/299369192.db2.gz DKBLYCYMEDNOPN-CORIIIEPSA-N 2 0 250.361 2.994 20 0 CFADRP CC(C)(O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674229803 541546861 /nfs/dbraw/zinc/54/68/61/541546861.db2.gz KZUYUBLWZBLVOV-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(CO)CC3)CC2)C1 ZINC000449579361 242044322 /nfs/dbraw/zinc/04/43/22/242044322.db2.gz FIHSYYMSEAGDAR-WBVHZDCISA-N 2 0 294.483 2.782 20 0 CFADRP Cn1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(C(F)F)n1 ZINC000449528815 242006839 /nfs/dbraw/zinc/00/68/39/242006839.db2.gz SFDWKYJWZTULAE-UHFFFAOYSA-N 2 0 288.386 2.568 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560058 242031620 /nfs/dbraw/zinc/03/16/20/242031620.db2.gz FKUGQFVCJYYHNU-ALOPSCKCSA-N 2 0 288.435 2.972 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3CO)CC2)C1 ZINC000449712081 242117415 /nfs/dbraw/zinc/11/74/15/242117415.db2.gz PWAOVHUJKOYHBD-XYVMCAHJSA-N 2 0 294.483 2.780 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCCC1 ZINC000449743113 242131017 /nfs/dbraw/zinc/13/10/17/242131017.db2.gz UVXAHQMKKJCALA-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CCc1cc(N2CC[NH+](C3CCCC3)CC2)cc[nH+]1 ZINC000450246446 242322423 /nfs/dbraw/zinc/32/24/23/242322423.db2.gz KRLKFKRHDPAUME-UHFFFAOYSA-N 2 0 259.397 2.709 20 0 CFADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2=CCCCC2)CC1 ZINC000450368124 242380257 /nfs/dbraw/zinc/38/02/57/242380257.db2.gz ZBAFSXTUJRMTOC-HNNXBMFYSA-N 2 0 280.456 2.511 20 0 CFADRP C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CCC1)C1C[NH2+]C1 ZINC000422937299 296112988 /nfs/dbraw/zinc/11/29/88/296112988.db2.gz JJPRSKMWBGGUGW-LLVKDONJSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000423052917 296113931 /nfs/dbraw/zinc/11/39/31/296113931.db2.gz QXGZKQURJXWVIF-VSVYTNTFSA-N 2 0 289.467 2.785 20 0 CFADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000486938540 296114754 /nfs/dbraw/zinc/11/47/54/296114754.db2.gz ILOIOJBXAUEGQT-RHSMWYFYSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422726923 296116927 /nfs/dbraw/zinc/11/69/27/296116927.db2.gz AVKUDVRZYHYZMR-LLVKDONJSA-N 2 0 266.816 2.815 20 0 CFADRP C[C@@H]([NH2+]CC1(c2cccc(F)c2F)CCCC1)C1C[NH2+]C1 ZINC000423078848 296120363 /nfs/dbraw/zinc/12/03/63/296120363.db2.gz PJBAGFZBJJPUOM-GFCCVEGCSA-N 2 0 294.389 2.974 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675642450 541675758 /nfs/dbraw/zinc/67/57/58/541675758.db2.gz NJHWBWYGOPKQSK-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccncn1 ZINC000453067233 296121964 /nfs/dbraw/zinc/12/19/64/296121964.db2.gz XJUQKXMGJPOMLT-HUUCEWRRSA-N 2 0 276.428 2.782 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1 ZINC000245541802 296121968 /nfs/dbraw/zinc/12/19/68/296121968.db2.gz OWDKBCVOYZXDFY-OWCLPIDISA-N 2 0 291.439 2.622 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000675744670 541687353 /nfs/dbraw/zinc/68/73/53/541687353.db2.gz SNGJURZJHRUSMP-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675750416 541688302 /nfs/dbraw/zinc/68/83/02/541688302.db2.gz KGZJFXJKJJPIMQ-IXDOHACOSA-N 3 0 295.515 2.674 20 0 CFADRP COC1CCN(CC[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000675776916 541691972 /nfs/dbraw/zinc/69/19/72/541691972.db2.gz PPKJJGMLPWSRCU-RDTXWAMCSA-N 2 0 288.435 2.935 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCN1CCC(OC)CC1 ZINC000675776601 541692280 /nfs/dbraw/zinc/69/22/80/541692280.db2.gz BWZOZTKGYOHQKK-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCC1 ZINC000453108937 243406089 /nfs/dbraw/zinc/40/60/89/243406089.db2.gz LRQYUCNSJSSSBZ-DLBZAZTESA-N 2 0 282.472 2.782 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCC1 ZINC000453067304 243385190 /nfs/dbraw/zinc/38/51/90/243385190.db2.gz AFIZMCXELUYSGC-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000453065384 243385201 /nfs/dbraw/zinc/38/52/01/243385201.db2.gz UUHSPVIOZYLAGD-DZGCQCFKSA-N 2 0 295.496 2.733 20 0 CFADRP FCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000675884109 541702466 /nfs/dbraw/zinc/70/24/66/541702466.db2.gz GVEJIMYNIDWQLQ-UHFFFAOYSA-N 2 0 256.409 2.934 20 0 CFADRP CC(C)c1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)on1 ZINC000675882208 541702555 /nfs/dbraw/zinc/70/25/55/541702555.db2.gz FXABNRNQSDLHCU-GFCCVEGCSA-N 2 0 265.401 2.618 20 0 CFADRP C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675831883 541698878 /nfs/dbraw/zinc/69/88/78/541698878.db2.gz SFFDLUMIKGJXGP-JYJNAYRXSA-N 2 0 281.488 2.569 20 0 CFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453123532 243414064 /nfs/dbraw/zinc/41/40/64/243414064.db2.gz ZBFQSQIQJMALMY-QZTJIDSGSA-N 2 0 294.483 2.638 20 0 CFADRP CO[C@@H](C)c1nc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000675929712 541710798 /nfs/dbraw/zinc/71/07/98/541710798.db2.gz CGNCZZUQLMQNAJ-RYUDHWBXSA-N 2 0 297.468 2.670 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423497796 299394463 /nfs/dbraw/zinc/39/44/63/299394463.db2.gz ZOZKOUYREUEYLQ-OUCADQQQSA-N 2 0 279.403 2.670 20 0 CFADRP CC(C)[N@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456262866 244118448 /nfs/dbraw/zinc/11/84/48/244118448.db2.gz GSBSORNSERZDML-INIZCTEOSA-N 2 0 289.423 2.514 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1C(C)(C)C1(C)C ZINC000676560375 541767181 /nfs/dbraw/zinc/76/71/81/541767181.db2.gz NRDPABWEJHXSGN-AWEZNQCLSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1C(C)(C)C1(C)C ZINC000676560376 541767566 /nfs/dbraw/zinc/76/75/66/541767566.db2.gz NRDPABWEJHXSGN-CQSZACIVSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H](Cc1ccncc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425513 245174220 /nfs/dbraw/zinc/17/42/20/245174220.db2.gz MECRWRVPFOKPQX-HNNXBMFYSA-N 2 0 296.418 2.666 20 0 CFADRP Cc1ccc([C@@]2(C)CC[N@@H+](CCc3cncn3C)C2)cc1 ZINC000459442015 245182211 /nfs/dbraw/zinc/18/22/11/245182211.db2.gz PEUYYCGCNXCXTD-SFHVURJKSA-N 2 0 283.419 2.935 20 0 CFADRP C[C@H]1C[C@H](CC[NH2+]Cc2cn[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000677129377 541824366 /nfs/dbraw/zinc/82/43/66/541824366.db2.gz RGLWAWMHXCOAJO-RDJZCZTQSA-N 2 0 298.434 2.800 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCSCC1 ZINC000459659594 245262931 /nfs/dbraw/zinc/26/29/31/245262931.db2.gz MNQKYWBHPKFFHN-LBPRGKRZSA-N 2 0 275.421 2.956 20 0 CFADRP CCOC[C@H]1CCCC[N@@H+]1CCC[NH+](CC)CC ZINC000459727617 245288694 /nfs/dbraw/zinc/28/86/94/245288694.db2.gz YYTAXQMGQVVEBA-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C1(O)CCCC1 ZINC000331594622 203998023 /nfs/dbraw/zinc/99/80/23/203998023.db2.gz TYBUANZDDLWFHI-KGLIPLIRSA-N 2 0 268.445 2.567 20 0 CFADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(C(C)(C)C)n1 ZINC000459740433 245295461 /nfs/dbraw/zinc/29/54/61/245295461.db2.gz UHEGWOPMTVDSKU-AWEZNQCLSA-N 2 0 292.471 2.539 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459740994 245296325 /nfs/dbraw/zinc/29/63/25/245296325.db2.gz UUJJYUQBURMHPI-CVEARBPZSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459742393 245298872 /nfs/dbraw/zinc/29/88/72/245298872.db2.gz WCUBLPZLWGJABP-ZDUSSCGKSA-N 2 0 267.442 2.581 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000451156307 296166107 /nfs/dbraw/zinc/16/61/07/296166107.db2.gz SMHCKJIOPGDZNW-KDEOKCCVSA-N 2 0 280.456 2.795 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(C3CCC3)CCC2)CC1 ZINC000459760440 245309438 /nfs/dbraw/zinc/30/94/38/245309438.db2.gz SGSYJJWWDCFJCT-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459775836 245318280 /nfs/dbraw/zinc/31/82/80/245318280.db2.gz JOULJIXHLYZXBX-CABCVRRESA-N 2 0 261.413 2.773 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000000019739 371509053 /nfs/dbraw/zinc/50/90/53/371509053.db2.gz ZOGZAMSQHMNPNJ-UHFFFAOYSA-N 2 0 296.842 2.992 20 0 CFADRP COc1ccc(CC[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000019907319 372205667 /nfs/dbraw/zinc/20/56/67/372205667.db2.gz USOSRIROQMTNPQ-UHFFFAOYSA-N 2 0 276.424 2.700 20 0 CFADRP COc1ccc2ccccc2c1C[NH+]1CCC([NH3+])CC1 ZINC000032048737 372425765 /nfs/dbraw/zinc/42/57/65/372425765.db2.gz VBQLQAKSZJJNMB-UHFFFAOYSA-N 2 0 270.376 2.772 20 0 CFADRP CC[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000032105918 372426359 /nfs/dbraw/zinc/42/63/59/372426359.db2.gz CPCZQJOORJJWPF-ZDUSSCGKSA-N 2 0 250.386 2.515 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnn1C ZINC000036901209 372607929 /nfs/dbraw/zinc/60/79/29/372607929.db2.gz AVDKYOWBEMLBQY-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP c1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000037374149 372663957 /nfs/dbraw/zinc/66/39/57/372663957.db2.gz QCSCHBIWEYZEHL-UHFFFAOYSA-N 2 0 281.403 2.883 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000037644421 372680897 /nfs/dbraw/zinc/68/08/97/372680897.db2.gz SZSLTDMUKNNNEE-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000037649138 372683612 /nfs/dbraw/zinc/68/36/12/372683612.db2.gz NBZNPBRKWDMNSU-CHWSQXEVSA-N 2 0 288.391 2.550 20 0 CFADRP CC[C@H]([NH2+]CCC[NH3+])c1cccc(Br)c1 ZINC000037713778 372690648 /nfs/dbraw/zinc/69/06/48/372690648.db2.gz VZRRRFFQZIOFBP-LBPRGKRZSA-N 2 0 271.202 2.839 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037713806 372691168 /nfs/dbraw/zinc/69/11/68/372691168.db2.gz NYKQUWKBMFSRPN-NSHDSACASA-N 2 0 256.802 2.815 20 0 CFADRP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)c(-c2ccccc2)n1 ZINC000571331766 383684642 /nfs/dbraw/zinc/68/46/42/383684642.db2.gz NFDQYNKKKSXBMX-UHFFFAOYSA-N 2 0 298.434 2.648 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000041635457 372855095 /nfs/dbraw/zinc/85/50/95/372855095.db2.gz YAOBGYVRDPDURF-UHFFFAOYSA-N 2 0 284.407 2.651 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000333304500 205202508 /nfs/dbraw/zinc/20/25/08/205202508.db2.gz QPOIPRFOXAJEMV-DUQPFJRNSA-N 3 0 293.499 2.652 20 0 CFADRP NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000333332525 205227325 /nfs/dbraw/zinc/22/73/25/205227325.db2.gz WMGBELUVMSNPHE-QLFBSQMISA-N 2 0 293.455 2.982 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1F ZINC000042436879 372921877 /nfs/dbraw/zinc/92/18/77/372921877.db2.gz NKYLPQBYQMLYDR-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP c1csc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000042516931 372932211 /nfs/dbraw/zinc/93/22/11/372932211.db2.gz IPDYLQMOVXSUMU-LBPRGKRZSA-N 2 0 250.411 2.712 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663881 373026814 /nfs/dbraw/zinc/02/68/14/373026814.db2.gz AIWYLRHLXBNEJP-AWEZNQCLSA-N 2 0 264.413 2.558 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1csc(Br)c1 ZINC000045598284 373023040 /nfs/dbraw/zinc/02/30/40/373023040.db2.gz JMVMOUWSVZLBHA-UHFFFAOYSA-N 2 0 291.258 2.942 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000051694507 373405656 /nfs/dbraw/zinc/40/56/56/373405656.db2.gz GJQUNTWYNZNQGB-UHFFFAOYSA-N 2 0 268.788 2.708 20 0 CFADRP CCc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)s1 ZINC000051756184 373407707 /nfs/dbraw/zinc/40/77/07/373407707.db2.gz ICEQTGCNHCIXJZ-UHFFFAOYSA-N 2 0 252.427 2.742 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000053658973 373483781 /nfs/dbraw/zinc/48/37/81/373483781.db2.gz DYOOUYMUWMQNAZ-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP CC[C@@H]1C[N@H+](CC)CCN1Cc1ncc(C)c(OC)c1C ZINC000451729810 383693016 /nfs/dbraw/zinc/69/30/16/383693016.db2.gz LYYHNTHROKPDBZ-OAHLLOKOSA-N 2 0 291.439 2.623 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCO2)C[NH+]1CCCC1 ZINC000062077448 373747630 /nfs/dbraw/zinc/74/76/30/373747630.db2.gz ZSEPPWDGMKAHCW-KBPBESRZSA-N 2 0 290.407 2.798 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000063159930 373788576 /nfs/dbraw/zinc/78/85/76/373788576.db2.gz PMTJCWKZCGRCAU-UHFFFAOYSA-N 2 0 285.391 2.773 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571461330 383696624 /nfs/dbraw/zinc/69/66/24/383696624.db2.gz ICQNDEXKCJQILU-CVEARBPZSA-N 2 0 276.424 2.932 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000070074064 374121837 /nfs/dbraw/zinc/12/18/37/374121837.db2.gz ZALXIJAQOWVQRL-INIZCTEOSA-N 2 0 269.392 2.938 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCSc1ccccc1 ZINC000070149619 374129888 /nfs/dbraw/zinc/12/98/88/374129888.db2.gz IFLHSKBMCYUBBM-CQSZACIVSA-N 2 0 264.438 2.982 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000070171543 374137407 /nfs/dbraw/zinc/13/74/07/374137407.db2.gz DCQONHBJYZBGTI-JSGCOSHPSA-N 2 0 258.365 2.992 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000070174434 374141080 /nfs/dbraw/zinc/14/10/80/374141080.db2.gz LGGABZWIFUDTKV-CHWSQXEVSA-N 2 0 282.815 2.778 20 0 CFADRP CN(Cc1nc2c(s1)CCCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000677802615 541907095 /nfs/dbraw/zinc/90/70/95/541907095.db2.gz XBYGAYIIZRQJOJ-ZDUSSCGKSA-N 2 0 293.480 2.796 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC000070477312 374185715 /nfs/dbraw/zinc/18/57/15/374185715.db2.gz ZXXWRFXUSAPGSW-KBPBESRZSA-N 2 0 264.417 2.638 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000070544341 374191095 /nfs/dbraw/zinc/19/10/95/374191095.db2.gz GQYKEQOQBLSPES-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP C[C@H](C[NH2+]Cc1cc2c(cccc2F)[nH]1)C[NH+](C)C ZINC000491588160 246083663 /nfs/dbraw/zinc/08/36/63/246083663.db2.gz FSMMRGVOUZYDGG-LLVKDONJSA-N 2 0 263.360 2.594 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000087088677 374808061 /nfs/dbraw/zinc/80/80/61/374808061.db2.gz QMKGEQHRWCFQCR-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP CC(C)[C@H]([NH3+])CNCc1sccc1Br ZINC000087576027 374826503 /nfs/dbraw/zinc/82/65/03/374826503.db2.gz PFOFTQCRCZGUQR-SECBINFHSA-N 2 0 277.231 2.584 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000089139940 374872923 /nfs/dbraw/zinc/87/29/23/374872923.db2.gz NPANUYCOYWZMGS-BBRMVZONSA-N 2 0 271.408 2.818 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000089146118 374874674 /nfs/dbraw/zinc/87/46/74/374874674.db2.gz LFUIOFYYCZULEK-OCCSQVGLSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000089146007 374875261 /nfs/dbraw/zinc/87/52/61/374875261.db2.gz VLIGLZQXHFILOB-HZMBPMFUSA-N 2 0 254.324 2.572 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000089607845 374928013 /nfs/dbraw/zinc/92/80/13/374928013.db2.gz JHOFHNRNWGDQFW-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1 ZINC000089722558 374942729 /nfs/dbraw/zinc/94/27/29/374942729.db2.gz UOLURTTWPIKDDG-DLTWYDFYSA-N 2 0 276.424 2.772 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000090015136 374985241 /nfs/dbraw/zinc/98/52/41/374985241.db2.gz MJPAUNIWHHGKCD-ZMSDIMECSA-N 2 0 260.425 2.856 20 0 CFADRP C[N@H+](CCCOc1ccccc1)CCC1CC[NH2+]CC1 ZINC000090694204 375023482 /nfs/dbraw/zinc/02/34/82/375023482.db2.gz QQUHZOJLCDLOAC-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@H](C)C1 ZINC000090728034 375025294 /nfs/dbraw/zinc/02/52/94/375025294.db2.gz BBDLXBPPRXYTLE-JMSVASOKSA-N 2 0 279.428 2.715 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(Cc2nccc3ccccc32)C1 ZINC000678265064 541990228 /nfs/dbraw/zinc/99/02/28/541990228.db2.gz WSYCZDBEGJDLIC-AWEZNQCLSA-N 2 0 269.392 2.618 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000092836280 375162484 /nfs/dbraw/zinc/16/24/84/375162484.db2.gz DXDFQTLFOURNNW-SUMWQHHRSA-N 2 0 274.408 2.614 20 0 CFADRP Cc1cc(F)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089029 375184234 /nfs/dbraw/zinc/18/42/34/375184234.db2.gz CVJZHMYXCUXFNG-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211788 375196168 /nfs/dbraw/zinc/19/61/68/375196168.db2.gz DNDYDXNAPFTLTO-MELADBBJSA-N 2 0 262.397 2.924 20 0 CFADRP CSCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491615 375254733 /nfs/dbraw/zinc/25/47/33/375254733.db2.gz BEJRLPOTSUYAAB-HZSPNIEDSA-N 2 0 256.459 2.640 20 0 CFADRP CC1CCC(C[NH+]2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000093413053 375230658 /nfs/dbraw/zinc/23/06/58/375230658.db2.gz GQGAVDLMOKAWKV-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP C[N@H+](Cc1ccc(F)c2cccnc12)CC(C)(C)C[NH3+] ZINC000093873851 375328097 /nfs/dbraw/zinc/32/80/97/375328097.db2.gz VWGBMQHEUOFHGU-UHFFFAOYSA-N 2 0 275.371 2.791 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861175 375323711 /nfs/dbraw/zinc/32/37/11/375323711.db2.gz WBBAPXWONSVJSC-UHFFFAOYSA-N 2 0 264.413 2.891 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1cccnc1 ZINC000093515647 375262315 /nfs/dbraw/zinc/26/23/15/375262315.db2.gz JJFZUZYANUIWHO-HOCLYGCPSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@H+](C)C1CCCC1 ZINC000093516482 375263620 /nfs/dbraw/zinc/26/36/20/375263620.db2.gz NFDMWWBZVBCKSE-HZPDHXFCSA-N 2 0 281.488 2.761 20 0 CFADRP C[N@H+](CCOc1cccc(Cl)c1)CC(C)(C)C[NH3+] ZINC000093873856 375328347 /nfs/dbraw/zinc/32/83/47/375328347.db2.gz DOMPUGVVODQJJM-UHFFFAOYSA-N 2 0 270.804 2.636 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000094010791 375335656 /nfs/dbraw/zinc/33/56/56/375335656.db2.gz VZPVGJKITNJGRM-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP [NH3+]CCCOC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000094070092 375338287 /nfs/dbraw/zinc/33/82/87/375338287.db2.gz WFTCVRKMEOPFTD-SFHVURJKSA-N 2 0 288.435 2.894 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000094338848 375352456 /nfs/dbraw/zinc/35/24/56/375352456.db2.gz MXHRIKCLAHELHV-GWCFXTLKSA-N 2 0 288.313 2.754 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094370360 375357314 /nfs/dbraw/zinc/35/73/14/375357314.db2.gz FORRGEOAKDIEOF-CVEARBPZSA-N 2 0 298.496 2.505 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccc[nH]2)cc1 ZINC000678294691 542002087 /nfs/dbraw/zinc/00/20/87/542002087.db2.gz PVORJAMADGSBKW-UHFFFAOYSA-N 2 0 287.407 2.587 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000502561580 247113160 /nfs/dbraw/zinc/11/31/60/247113160.db2.gz QYOIUVIYOKZEDG-KRWDZBQOSA-N 2 0 290.451 2.956 20 0 CFADRP CC(C)C1CCC(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000512028439 247207162 /nfs/dbraw/zinc/20/71/62/247207162.db2.gz ZUCQRLWEKBXWJD-AOCRQIFASA-N 2 0 295.515 2.674 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513655157 247225413 /nfs/dbraw/zinc/22/54/13/247225413.db2.gz LPHQAXZIDHQOCP-GVDBMIGSSA-N 2 0 288.435 2.836 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000678600693 542049944 /nfs/dbraw/zinc/04/99/44/542049944.db2.gz PVYOULZYEUKSFG-YPMHNXCESA-N 2 0 260.372 2.884 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000678604790 542051709 /nfs/dbraw/zinc/05/17/09/542051709.db2.gz PHIUUFTZQSQXHH-GMRIPVOYSA-N 2 0 280.456 2.939 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1COc2ccccc21 ZINC000678607704 542053316 /nfs/dbraw/zinc/05/33/16/542053316.db2.gz QGWSEQHSTMLKJA-JJRVBVJISA-N 2 0 288.435 2.871 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000106868933 375803256 /nfs/dbraw/zinc/80/32/56/375803256.db2.gz KUAZAQSAAASKHH-OKZBNKHCSA-N 2 0 270.420 2.760 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000117883619 376266808 /nfs/dbraw/zinc/26/68/08/376266808.db2.gz NKWHUPNIKYFIBP-AWEZNQCLSA-N 2 0 264.438 2.662 20 0 CFADRP COCCCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118001483 376270968 /nfs/dbraw/zinc/27/09/68/376270968.db2.gz FIVKQMSKMIMWKO-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000678820601 542077103 /nfs/dbraw/zinc/07/71/03/542077103.db2.gz AMFNNPVXNBOVPV-INIZCTEOSA-N 2 0 282.472 2.857 20 0 CFADRP Cc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccn1 ZINC000119573918 376439040 /nfs/dbraw/zinc/43/90/40/376439040.db2.gz FKQQRCNVCUVOMX-UHFFFAOYSA-N 2 0 290.411 2.821 20 0 CFADRP CCOCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120213326 376569585 /nfs/dbraw/zinc/56/95/85/376569585.db2.gz KCCGXCIKIAHXNF-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000336827345 284583259 /nfs/dbraw/zinc/58/32/59/284583259.db2.gz BJHSQVGMDRVAKS-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP CCN(CC)Cc1nc(C2([NH2+]CC(C)C)CCCC2)no1 ZINC000120695452 376672738 /nfs/dbraw/zinc/67/27/38/376672738.db2.gz LSABVOZTZVPZGV-UHFFFAOYSA-N 2 0 294.443 2.926 20 0 CFADRP C[C@H]1C[C@@H](NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000120762806 376687881 /nfs/dbraw/zinc/68/78/81/376687881.db2.gz MMRPEJJBTLCKKP-HOTGVXAUSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+](Cc1nc2c(s1)CCCC2)CC1CC[NH+](C)CC1 ZINC000678983873 542105689 /nfs/dbraw/zinc/10/56/89/542105689.db2.gz ZGUWMIXRAIHUKK-UHFFFAOYSA-N 2 0 293.480 2.796 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678992955 542106403 /nfs/dbraw/zinc/10/64/03/542106403.db2.gz RPFSKTQXVZUHNZ-CYBMUJFWSA-N 2 0 293.480 2.796 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000679014907 542109616 /nfs/dbraw/zinc/10/96/16/542109616.db2.gz BZUJSXFGUMKHSL-FMKPAKJESA-N 2 0 282.472 2.779 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000679090637 542120041 /nfs/dbraw/zinc/12/00/41/542120041.db2.gz FRTRLSZNBWETOS-HYVNUMGLSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488229 284604120 /nfs/dbraw/zinc/60/41/20/284604120.db2.gz AGIGKBBDWQXQOC-IXDOHACOSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1cccc(CO)c1)C[NH+]1CCCCC1 ZINC000121351861 376812792 /nfs/dbraw/zinc/81/27/92/376812792.db2.gz LZYBZDIPOJUYNB-HZPDHXFCSA-N 2 0 290.451 2.952 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000336789941 284608630 /nfs/dbraw/zinc/60/86/30/284608630.db2.gz KGBSUKGQHPLCLZ-KKUMJFAQSA-N 2 0 256.434 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOC2CCCC2)[C@H](C)C1 ZINC000125252192 377133469 /nfs/dbraw/zinc/13/34/69/377133469.db2.gz CUTIZZGGIPRCEG-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125887489 377198243 /nfs/dbraw/zinc/19/82/43/377198243.db2.gz ZSVMIWJVYYMHFB-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000126084097 377212163 /nfs/dbraw/zinc/21/21/63/377212163.db2.gz IMQOHIMTYLOBPY-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C(C)C ZINC000126421608 377225647 /nfs/dbraw/zinc/22/56/47/377225647.db2.gz FVMMSKVCADMPMH-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000127684820 377297684 /nfs/dbraw/zinc/29/76/84/377297684.db2.gz MQOXFKVKPGLHFG-WBVHZDCISA-N 2 0 298.434 2.753 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000130210197 377523742 /nfs/dbraw/zinc/52/37/42/377523742.db2.gz YKUKZFRNABGVOQ-HOCLYGCPSA-N 2 0 276.424 2.700 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000130327472 377539145 /nfs/dbraw/zinc/53/91/45/377539145.db2.gz AQXSIPXQGJPRIK-MLGOLLRUSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@H](CCCCO)[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000679343231 542173220 /nfs/dbraw/zinc/17/32/20/542173220.db2.gz XUAZNSTWPSUDIK-BZUAXINKSA-N 2 0 284.488 2.884 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000130280141 377531725 /nfs/dbraw/zinc/53/17/25/377531725.db2.gz VRNGJTSOPLYVSI-OFQRWUPVSA-N 2 0 276.424 2.699 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000131241164 377682983 /nfs/dbraw/zinc/68/29/83/377682983.db2.gz ATSNKOIDTNROSM-UHFFFAOYSA-N 2 0 270.323 2.520 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000131561092 377730166 /nfs/dbraw/zinc/73/01/66/377730166.db2.gz WWYTUHUFCQGPGX-RYUDHWBXSA-N 2 0 273.355 2.543 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000131991543 377787816 /nfs/dbraw/zinc/78/78/16/377787816.db2.gz XMRQFXPJJYNNKP-UHFFFAOYSA-N 2 0 298.377 2.954 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000132064248 377798656 /nfs/dbraw/zinc/79/86/56/377798656.db2.gz CHMGMVKPYVOKLE-WDEREUQCSA-N 2 0 254.324 2.615 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1F ZINC000134047861 377977719 /nfs/dbraw/zinc/97/77/19/377977719.db2.gz QQZPHHADNVYZFE-DZGCQCFKSA-N 2 0 264.388 2.831 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]1 ZINC000571769812 383726035 /nfs/dbraw/zinc/72/60/35/383726035.db2.gz APFVJAGAZJEWGA-IIAWOOMASA-N 2 0 259.397 2.607 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1 ZINC000136135934 378181922 /nfs/dbraw/zinc/18/19/22/378181922.db2.gz LQMHBLKTAXPJDG-CYBMUJFWSA-N 2 0 250.386 2.692 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000136134983 378182004 /nfs/dbraw/zinc/18/20/04/378182004.db2.gz VJVDHZLWNCCKOE-QMMMGPOBSA-N 2 0 264.266 2.671 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150853904 378276073 /nfs/dbraw/zinc/27/60/73/378276073.db2.gz ZSSCQOUAIXSWSG-QGZVFWFLSA-N 2 0 288.435 2.655 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000151138578 378300542 /nfs/dbraw/zinc/30/05/42/378300542.db2.gz PBHABCHQPWUHNG-UONOGXRCSA-N 2 0 290.407 2.798 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]CC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000151840256 378364245 /nfs/dbraw/zinc/36/42/45/378364245.db2.gz NVHSJXALRPUECA-HOTGVXAUSA-N 2 0 296.499 2.885 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000329617951 378470593 /nfs/dbraw/zinc/47/05/93/378470593.db2.gz GAGDSRQQPXAJAQ-KBPBESRZSA-N 2 0 298.390 2.684 20 0 CFADRP CCCCc1ccc([C@@H](C)NC[C@@H](O)C[NH+](C)C)cc1 ZINC000154258788 378551829 /nfs/dbraw/zinc/55/18/29/378551829.db2.gz ZJFSXEPAELJJSH-RHSMWYFYSA-N 2 0 278.440 2.602 20 0 CFADRP c1cn(CCN2CCCC[C@H]2c2nc3ccccc3[nH]2)cn1 ZINC000451877085 383730949 /nfs/dbraw/zinc/73/09/49/383730949.db2.gz HKIBDFGHDFALKB-INIZCTEOSA-N 2 0 295.390 2.987 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000159195313 378692541 /nfs/dbraw/zinc/69/25/41/378692541.db2.gz RIELYGLANVSXOE-CQSZACIVSA-N 2 0 294.414 2.977 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000159228536 378693594 /nfs/dbraw/zinc/69/35/94/378693594.db2.gz BINYTSKPAZAVCP-AWEZNQCLSA-N 2 0 261.413 2.854 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000331483168 378694190 /nfs/dbraw/zinc/69/41/90/378694190.db2.gz FAGFULDQBFDORK-HONMWMINSA-N 2 0 265.401 2.645 20 0 CFADRP CCC[NH+]1CCC(NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000161588852 378858250 /nfs/dbraw/zinc/85/82/50/378858250.db2.gz WHUQJAWDIZGVHP-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000333899589 378875936 /nfs/dbraw/zinc/87/59/36/378875936.db2.gz ZNRPQFIHEMAIBR-IOASZLSFSA-N 2 0 259.397 2.650 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000162883284 378941848 /nfs/dbraw/zinc/94/18/48/378941848.db2.gz NMFWVGAGRXLJOC-DLBZAZTESA-N 2 0 288.435 2.969 20 0 CFADRP Cn1cnc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)ccc21 ZINC000278549151 194038275 /nfs/dbraw/zinc/03/82/75/194038275.db2.gz YVOFREYHWUKTQJ-UHFFFAOYSA-N 2 0 298.434 2.537 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000162868217 378939397 /nfs/dbraw/zinc/93/93/97/378939397.db2.gz OLYICUKUHBCPAI-PMPSAXMXSA-N 2 0 290.455 2.592 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1C ZINC000162496272 378915689 /nfs/dbraw/zinc/91/56/89/378915689.db2.gz HNNVEUFMKOZWLM-KRWDZBQOSA-N 2 0 289.467 2.592 20 0 CFADRP C1C[C@H]2C[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[N@@H+]2C1 ZINC000334226081 378950467 /nfs/dbraw/zinc/95/04/67/378950467.db2.gz MTNAXEIHQQBQCE-SJORKVTESA-N 2 0 292.467 2.942 20 0 CFADRP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000335269026 378996856 /nfs/dbraw/zinc/99/68/56/378996856.db2.gz HRNZPVCJTATNBT-OKILXGFUSA-N 2 0 294.826 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@H](C)C1 ZINC000164703935 379023862 /nfs/dbraw/zinc/02/38/62/379023862.db2.gz JHLNAGVAAVANLN-WBMJQRKESA-N 2 0 282.378 2.827 20 0 CFADRP Cc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000335276525 379010603 /nfs/dbraw/zinc/01/06/03/379010603.db2.gz FHTMMPTXMAVFBM-AWEZNQCLSA-N 2 0 273.424 2.662 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000164890036 379028036 /nfs/dbraw/zinc/02/80/36/379028036.db2.gz WCPLRRNZDFCACC-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000166830426 379062649 /nfs/dbraw/zinc/06/26/49/379062649.db2.gz IRJSMVSQNOCZON-SQNIBIBYSA-N 2 0 288.435 2.526 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000334313490 379077036 /nfs/dbraw/zinc/07/70/36/379077036.db2.gz NLAQVEPCYKYYJD-UHFFFAOYSA-N 2 0 267.376 2.672 20 0 CFADRP COc1nc2ccccc2cc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000571862763 383733803 /nfs/dbraw/zinc/73/38/03/383733803.db2.gz NZAYKSUJOJBREB-XJKSGUPXSA-N 2 0 299.418 2.660 20 0 CFADRP CCC(CC)(CC)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000679997760 542262905 /nfs/dbraw/zinc/26/29/05/542262905.db2.gz SSLOVDUAQFBCDQ-INIZCTEOSA-N 2 0 283.504 2.676 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000335349380 379137150 /nfs/dbraw/zinc/13/71/50/379137150.db2.gz RPKPRNFHXJQNJZ-SJKOYZFVSA-N 2 0 287.382 2.791 20 0 CFADRP COc1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C ZINC000334370075 379174330 /nfs/dbraw/zinc/17/43/30/379174330.db2.gz OHCCUYCCWAQGAZ-KRWDZBQOSA-N 2 0 274.408 2.579 20 0 CFADRP Cc1cnccc1OC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000278796181 194159248 /nfs/dbraw/zinc/15/92/48/194159248.db2.gz WDFHEQCTLMGUMY-CQSZACIVSA-N 2 0 292.448 2.986 20 0 CFADRP CC1(C)C[N@H+](CCNc2cc[nH+]c3ccccc23)CCO1 ZINC000171891937 379432142 /nfs/dbraw/zinc/43/21/42/379432142.db2.gz GQEVHMNNPZQERX-UHFFFAOYSA-N 2 0 285.391 2.758 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335516164 379435814 /nfs/dbraw/zinc/43/58/14/379435814.db2.gz IFGVVOLFHXXYSI-HOCLYGCPSA-N 2 0 274.408 2.798 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000335523381 379447358 /nfs/dbraw/zinc/44/73/58/379447358.db2.gz YZDKKBIIUFQSEP-HOCLYGCPSA-N 2 0 274.408 2.798 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cc(C(N)=O)cs1)CC[NH2+]CC2 ZINC000335543471 379485967 /nfs/dbraw/zinc/48/59/67/379485967.db2.gz LOXJSRLLYMUMTK-NSHDSACASA-N 2 0 293.436 2.595 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000335562372 379515925 /nfs/dbraw/zinc/51/59/25/379515925.db2.gz VACOINJSTQOYLC-KOHJWAIASA-N 2 0 278.371 2.756 20 0 CFADRP COCC(C)(C)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000494307616 284792175 /nfs/dbraw/zinc/79/21/75/284792175.db2.gz GCGFQEOVFOAJLN-UHFFFAOYSA-N 2 0 270.461 2.761 20 0 CFADRP Cc1cc(Cl)cc(C)c1CN1CCCO[C@H](C[NH3+])C1 ZINC000335639863 379645027 /nfs/dbraw/zinc/64/50/27/379645027.db2.gz MMKTYIWBVPLERB-CQSZACIVSA-N 2 0 282.815 2.506 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000335694876 379736143 /nfs/dbraw/zinc/73/61/43/379736143.db2.gz QWKBNTFIPWRPKI-AWEZNQCLSA-N 2 0 265.788 2.575 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[N@@H+]1C ZINC000335716186 379773165 /nfs/dbraw/zinc/77/31/65/379773165.db2.gz DZZMBROAQJZSIT-GXTWGEPZSA-N 2 0 287.382 2.946 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000335721076 379781991 /nfs/dbraw/zinc/78/19/91/379781991.db2.gz TXGGBYSKHTYUKZ-UHFFFAOYSA-N 2 0 258.409 2.616 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000174273062 379855726 /nfs/dbraw/zinc/85/57/26/379855726.db2.gz NDKJSCFHLAJOHS-GASCZTMLSA-N 2 0 294.439 2.620 20 0 CFADRP CSCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405148 379879646 /nfs/dbraw/zinc/87/96/46/379879646.db2.gz GVBFLZXNNNDBSS-MRXNPFEDSA-N 2 0 278.465 2.803 20 0 CFADRP C[C@H]1CN(CCC[NH2+]C2CCCCCC2)CCCO1 ZINC000432357630 383741153 /nfs/dbraw/zinc/74/11/53/383741153.db2.gz IYJLOHUYKVROEX-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000334871079 379935527 /nfs/dbraw/zinc/93/55/27/379935527.db2.gz XRZLZMSUHZKOLA-XKGSQUFQSA-N 2 0 264.335 2.838 20 0 CFADRP Cc1nc2ccccn2c1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335824204 379949247 /nfs/dbraw/zinc/94/92/47/379949247.db2.gz UENKHMJMRNYTSG-SFHVURJKSA-N 2 0 298.434 2.560 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000334980313 379950967 /nfs/dbraw/zinc/95/09/67/379950967.db2.gz MVRBKASDJICMES-YOEHRIQHSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000335220972 380029692 /nfs/dbraw/zinc/02/96/92/380029692.db2.gz YGJHYJQALZDKEV-QWFMPGPPSA-N 2 0 258.409 2.651 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000335241694 380065924 /nfs/dbraw/zinc/06/59/24/380065924.db2.gz VBTLAINAKWXORZ-HOCLYGCPSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC000175453460 380066913 /nfs/dbraw/zinc/06/69/13/380066913.db2.gz OLQAKEQZVDYPJV-UWVGGRQHSA-N 2 0 273.833 2.711 20 0 CFADRP Cc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432368011 383742456 /nfs/dbraw/zinc/74/24/56/383742456.db2.gz KJVOWZCPZHFFLF-MRXNPFEDSA-N 2 0 276.424 2.586 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CC2CCCCCC2)CC12CCOCC2 ZINC000335259448 380095937 /nfs/dbraw/zinc/09/59/37/380095937.db2.gz URMMMLCEDLILGG-MRXNPFEDSA-N 2 0 280.456 2.644 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc2cccnc12 ZINC000335260649 380098050 /nfs/dbraw/zinc/09/80/50/380098050.db2.gz NZAJFKKXSUVIGQ-CZUORRHYSA-N 2 0 269.392 2.773 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000335262266 380101315 /nfs/dbraw/zinc/10/13/15/380101315.db2.gz STHQUODAOKBAFK-WCQYABFASA-N 2 0 258.365 2.971 20 0 CFADRP c1cc2c(c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)c1)NCC2 ZINC000336056494 380259195 /nfs/dbraw/zinc/25/91/95/380259195.db2.gz PNZSJHDQQJKDNQ-QGZVFWFLSA-N 2 0 285.435 2.619 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423163559 284822794 /nfs/dbraw/zinc/82/27/94/284822794.db2.gz MSVPDSNWOMQGIQ-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+]C1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000336165397 380277500 /nfs/dbraw/zinc/27/75/00/380277500.db2.gz WHFKSXJJDVTVFB-UHFFFAOYSA-N 2 0 266.429 2.585 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)c2ccccc21 ZINC000336232693 380292581 /nfs/dbraw/zinc/29/25/81/380292581.db2.gz GVRFCUIHWMWSGD-STQMWFEESA-N 2 0 252.308 2.766 20 0 CFADRP Fc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000336409661 380340526 /nfs/dbraw/zinc/34/05/26/380340526.db2.gz IBUUHUZBHVRHOQ-CZUORRHYSA-N 2 0 262.372 2.962 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000336418225 380342168 /nfs/dbraw/zinc/34/21/68/380342168.db2.gz IBWMIGVRWFMIKH-HNNXBMFYSA-N 2 0 288.435 2.712 20 0 CFADRP Cc1cccn2c(C[N@H+]3CCCC34CC[NH+](C)CC4)cnc12 ZINC000336537484 380433099 /nfs/dbraw/zinc/43/30/99/380433099.db2.gz VTTHHIPHPREATA-UHFFFAOYSA-N 2 0 298.434 2.703 20 0 CFADRP Cc1nccn1C[C@@H]1CCC[N@H+]1CC1(O)CCC(C)CC1 ZINC000178318479 380436885 /nfs/dbraw/zinc/43/68/85/380436885.db2.gz FTYYGNWZZKCUKT-WIHSUSGWSA-N 2 0 291.439 2.597 20 0 CFADRP c1ccc(COC[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178975443 380498422 /nfs/dbraw/zinc/49/84/22/380498422.db2.gz RIBUGSCMKOTOIP-SFHVURJKSA-N 2 0 288.435 2.525 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1N(C)C ZINC000179398897 380540248 /nfs/dbraw/zinc/54/02/48/380540248.db2.gz DKQBIUUAUMAHFV-HNNXBMFYSA-N 2 0 275.440 2.889 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179468622 380546322 /nfs/dbraw/zinc/54/63/22/380546322.db2.gz GSYCYSDRPCQYQO-OAHLLOKOSA-N 2 0 291.439 2.703 20 0 CFADRP COC1CC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336657339 380584297 /nfs/dbraw/zinc/58/42/97/380584297.db2.gz QFFKIEFNKSQSKR-SEEUUAMPSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000336654688 380584454 /nfs/dbraw/zinc/58/44/54/380584454.db2.gz FDBINSITNWEPHL-HNNXBMFYSA-N 2 0 284.403 2.950 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOCc3ccccc3)C[C@H]21 ZINC000336719523 380610293 /nfs/dbraw/zinc/61/02/93/380610293.db2.gz SOMFCSOEWSKZND-KZNAEPCWSA-N 2 0 288.435 2.653 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180104593 380619833 /nfs/dbraw/zinc/61/98/33/380619833.db2.gz OZUUFELMNCANGA-YJBOKZPZSA-N 2 0 290.451 2.786 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000336807879 380665752 /nfs/dbraw/zinc/66/57/52/380665752.db2.gz NODVNDQCCPZXJA-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336820206 380685491 /nfs/dbraw/zinc/68/54/91/380685491.db2.gz CCNOAXGHGSPJDE-CQSZACIVSA-N 2 0 289.404 2.542 20 0 CFADRP CO[C@]1(C)C[C@H]([N@H+](C)Cc2cccc3nccn32)C1(C)C ZINC000180672619 380687566 /nfs/dbraw/zinc/68/75/66/380687566.db2.gz KZBDONJBZCCTSM-WMLDXEAASA-N 2 0 287.407 2.970 20 0 CFADRP C(CC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000336823699 380693532 /nfs/dbraw/zinc/69/35/32/380693532.db2.gz QXBZQMWYWZYHMO-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP C[N@H+](CCCn1ccnc1)Cc1nc2cc(F)ccc2o1 ZINC000181079024 380735053 /nfs/dbraw/zinc/73/50/53/380735053.db2.gz OWRZUFRWLTYFQV-UHFFFAOYSA-N 2 0 288.326 2.686 20 0 CFADRP Cc1sccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295367598 380812599 /nfs/dbraw/zinc/81/25/99/380812599.db2.gz OEALHEOCIQQLRF-AWEZNQCLSA-N 2 0 264.438 2.974 20 0 CFADRP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000346998868 380864071 /nfs/dbraw/zinc/86/40/71/380864071.db2.gz YCXBWYAREVEDDY-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP C[N@H+](CCC[NH2+]CC[C@H]1CCOC1)Cc1ccccc1 ZINC000400622834 380864658 /nfs/dbraw/zinc/86/46/58/380864658.db2.gz PGCGHDQVMYBRHF-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000347000645 380865130 /nfs/dbraw/zinc/86/51/30/380865130.db2.gz GQJVEBMQBMFXGU-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347001243 380866200 /nfs/dbraw/zinc/86/62/00/380866200.db2.gz GULKSIMLSPBWRF-INIZCTEOSA-N 2 0 281.403 2.790 20 0 CFADRP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(C)(C)[NH3+] ZINC000347003113 380868252 /nfs/dbraw/zinc/86/82/52/380868252.db2.gz KMJQBSCXZUDYEJ-WCQYABFASA-N 2 0 250.361 2.741 20 0 CFADRP c1cc2c(c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)NCC2 ZINC000347002310 380868672 /nfs/dbraw/zinc/86/86/72/380868672.db2.gz IWWPAKZDMHMKLO-INIZCTEOSA-N 2 0 299.462 2.962 20 0 CFADRP CCC[N@H+](Cc1cccc(-n2cccn2)c1)C1CC[NH2+]CC1 ZINC000347007838 380872788 /nfs/dbraw/zinc/87/27/88/380872788.db2.gz DODCBIOSCUGOIE-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@H]1OC ZINC000181728595 380876373 /nfs/dbraw/zinc/87/63/73/380876373.db2.gz YOLXGEBLJXJVJM-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346974200 380836244 /nfs/dbraw/zinc/83/62/44/380836244.db2.gz IQWQQEDOVJNJDQ-HLLBOEOZSA-N 2 0 258.409 2.864 20 0 CFADRP CCCC[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000353768360 380837184 /nfs/dbraw/zinc/83/71/84/380837184.db2.gz PIOIRYVFUSVMGA-HNNXBMFYSA-N 2 0 277.412 2.513 20 0 CFADRP CC(C)([NH3+])CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000346982325 380843428 /nfs/dbraw/zinc/84/34/28/380843428.db2.gz NKULTICRAPUASI-LLVKDONJSA-N 2 0 268.788 2.530 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000346981165 380844909 /nfs/dbraw/zinc/84/49/09/380844909.db2.gz MPUNHLKZJJXCKM-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000367883332 380847713 /nfs/dbraw/zinc/84/77/13/380847713.db2.gz CUDPXYIBXLGQBD-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000346992050 380855455 /nfs/dbraw/zinc/85/54/55/380855455.db2.gz AETPOBUUHJWDIA-UHFFFAOYSA-N 2 0 284.407 2.508 20 0 CFADRP CC(C)([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000346994067 380856820 /nfs/dbraw/zinc/85/68/20/380856820.db2.gz UXZLBEOIMDAQPT-LBPRGKRZSA-N 2 0 250.361 2.650 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501577 380885803 /nfs/dbraw/zinc/88/58/03/380885803.db2.gz ASMOGKPBJDGIQO-UHFFFAOYSA-N 2 0 288.435 2.839 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181757103 380885908 /nfs/dbraw/zinc/88/59/08/380885908.db2.gz BGDHVEDKXLOECO-KGLIPLIRSA-N 2 0 258.475 2.838 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000368017616 380887581 /nfs/dbraw/zinc/88/75/81/380887581.db2.gz NHALWCHYDGMMHB-CEXWTWQISA-N 2 0 299.462 2.739 20 0 CFADRP CCc1cccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507840 380892632 /nfs/dbraw/zinc/89/26/32/380892632.db2.gz LJWDVLPSYQYUOZ-UHFFFAOYSA-N 2 0 288.435 2.703 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000347049190 380904046 /nfs/dbraw/zinc/90/40/46/380904046.db2.gz QGTADGYQWXPULR-NSHDSACASA-N 2 0 279.453 2.970 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCNc2ccccn2)C1(C)C ZINC000181867142 380921607 /nfs/dbraw/zinc/92/16/07/380921607.db2.gz UOHJMNOMFUYSMY-UONOGXRCSA-N 2 0 277.412 2.677 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000181867301 380922237 /nfs/dbraw/zinc/92/22/37/380922237.db2.gz IVJKCBDFLNEQIQ-HUUCEWRRSA-N 2 0 289.423 2.821 20 0 CFADRP Cc1ccc2nc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2c1 ZINC000341347035 380955152 /nfs/dbraw/zinc/95/51/52/380955152.db2.gz PZBASRIRSDLONV-UHFFFAOYSA-N 2 0 298.434 2.607 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000347129864 380959495 /nfs/dbraw/zinc/95/94/95/380959495.db2.gz QAOANRITHHCRQI-UHFFFAOYSA-N 2 0 284.407 2.508 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000341353717 380959666 /nfs/dbraw/zinc/95/96/66/380959666.db2.gz BQHAGYCGIHFSOF-UHFFFAOYSA-N 2 0 290.455 2.736 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000353926419 380961462 /nfs/dbraw/zinc/96/14/62/380961462.db2.gz FXKAGOXBCPMEFJ-OAHLLOKOSA-N 2 0 298.471 2.677 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000353931529 380965491 /nfs/dbraw/zinc/96/54/91/380965491.db2.gz QWUCFEQTBUGGFB-GJZGRUSLSA-N 2 0 298.471 2.533 20 0 CFADRP CCC1(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCOCC1 ZINC000347096257 380935367 /nfs/dbraw/zinc/93/53/67/380935367.db2.gz HSIGDSBVHCMYEQ-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@H](C)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182359579 381073656 /nfs/dbraw/zinc/07/36/56/381073656.db2.gz OMYQSSFZTWKHKN-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@H+](CC[C@H](O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289571493 381050902 /nfs/dbraw/zinc/05/09/02/381050902.db2.gz YLECUQCOURVQDS-WFFDWFOESA-N 2 0 288.435 2.667 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368531526 381059451 /nfs/dbraw/zinc/05/94/51/381059451.db2.gz VLSLDHSKJNPIQJ-JFIYKMOQSA-N 2 0 290.451 2.912 20 0 CFADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@H]1CCO[C@H]12 ZINC000347269825 381039011 /nfs/dbraw/zinc/03/90/11/381039011.db2.gz OFWPLUCRMIPAEY-WRQOLXDDSA-N 2 0 290.451 2.551 20 0 CFADRP CC[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1nccn1C ZINC000182475559 381093456 /nfs/dbraw/zinc/09/34/56/381093456.db2.gz VXWPGELQPMQLQN-HZPDHXFCSA-N 2 0 292.471 2.971 20 0 CFADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@H]12 ZINC000182480015 381096767 /nfs/dbraw/zinc/09/67/67/381096767.db2.gz WBXCFUINYKTEKT-JONQDZQNSA-N 2 0 250.430 2.981 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000354146258 381105797 /nfs/dbraw/zinc/10/57/97/381105797.db2.gz MYDZGIQURTZOAI-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000289692618 381106377 /nfs/dbraw/zinc/10/63/77/381106377.db2.gz FAQVERQXSMERTM-NJAFHUGGSA-N 2 0 290.451 2.772 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000358835605 381114147 /nfs/dbraw/zinc/11/41/47/381114147.db2.gz USIUNBVCGPLZLX-IRXDYDNUSA-N 2 0 298.471 2.583 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCCO2)C[C@@H]1C ZINC000347449637 381159153 /nfs/dbraw/zinc/15/91/53/381159153.db2.gz XHSDZQJCLOWPGH-JYJNAYRXSA-N 2 0 268.445 2.750 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000341686475 381171809 /nfs/dbraw/zinc/17/18/09/381171809.db2.gz FWWILUPGEISRNJ-CYBMUJFWSA-N 2 0 284.444 2.571 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000358959235 381176219 /nfs/dbraw/zinc/17/62/19/381176219.db2.gz ZVSYRWRBQDRUPW-BZSNNMDCSA-N 2 0 294.483 2.661 20 0 CFADRP C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000341892197 381201034 /nfs/dbraw/zinc/20/10/34/381201034.db2.gz AZSFDQJZCOFASG-ALYAQQCSSA-N 2 0 281.488 2.568 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(C)CC2)[C@H](C)C1 ZINC000359000375 381205499 /nfs/dbraw/zinc/20/54/99/381205499.db2.gz HOZRJBQZGMPIOW-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000354328975 381206368 /nfs/dbraw/zinc/20/63/68/381206368.db2.gz KKPCBBILSQMHIP-UHFFFAOYSA-N 2 0 298.434 2.612 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000354336979 381212759 /nfs/dbraw/zinc/21/27/59/381212759.db2.gz ZJVWUCFNKKZEEB-ZDUSSCGKSA-N 2 0 286.460 2.532 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCC(C)CC1 ZINC000359014036 381216440 /nfs/dbraw/zinc/21/64/40/381216440.db2.gz KJLLJECDWPRCAK-RZFLTCLSSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnn(CC(C)C)c2)[C@H](C)C1 ZINC000183355897 381259388 /nfs/dbraw/zinc/25/93/88/381259388.db2.gz NGVJIAIJWABAND-NVXWUHKLSA-N 2 0 292.471 2.701 20 0 CFADRP Fc1cccc(O[C@@H]2CC[N@H+](CCCn3ccnc3)C2)c1 ZINC000183368668 381262662 /nfs/dbraw/zinc/26/26/62/381262662.db2.gz ZQXFAORKFTYAFE-MRXNPFEDSA-N 2 0 289.354 2.566 20 0 CFADRP Cc1ncc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000354436814 381264966 /nfs/dbraw/zinc/26/49/66/381264966.db2.gz CXZULGLAVOYXLM-GASCZTMLSA-N 2 0 298.434 2.705 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCCn2ccnc2)CC1 ZINC000183164039 381225365 /nfs/dbraw/zinc/22/53/65/381225365.db2.gz IDGPKJLDWZBASJ-UHFFFAOYSA-N 2 0 292.471 2.717 20 0 CFADRP CC[NH+](CC)CCC[NH2+]CCCc1cnccc1C ZINC000289961107 381236209 /nfs/dbraw/zinc/23/62/09/381236209.db2.gz BFXPBBYAHVJQJY-UHFFFAOYSA-N 2 0 263.429 2.644 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000359221739 381295036 /nfs/dbraw/zinc/29/50/36/381295036.db2.gz XRQMTAHVGKOMND-YOEHRIQHSA-N 2 0 282.472 2.543 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000359221736 381295189 /nfs/dbraw/zinc/29/51/89/381295189.db2.gz XRQMTAHVGKOMND-PBHICJAKSA-N 2 0 282.472 2.543 20 0 CFADRP c1ccc(C[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359228729 381299631 /nfs/dbraw/zinc/29/96/31/381299631.db2.gz XKHNBIRDKMBZNS-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCc2csc(C(C)C)n2)C1 ZINC000343951311 220278928 /nfs/dbraw/zinc/27/89/28/220278928.db2.gz MODKJNCBJJYOHH-TZMCWYRMSA-N 2 0 281.469 2.739 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)[C@@H]1c1ccccc1 ZINC000369477498 381272817 /nfs/dbraw/zinc/27/28/17/381272817.db2.gz AKMNGTURBKFSHS-ROUUACIJSA-N 2 0 281.403 2.864 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)ccn2)CC1 ZINC000359133367 381284476 /nfs/dbraw/zinc/28/44/76/381284476.db2.gz WOKMRAXHTYXFLR-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000359290902 381330551 /nfs/dbraw/zinc/33/05/51/381330551.db2.gz CGLFZULZPADMSS-NUEKZKHPSA-N 2 0 273.424 2.921 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183880808 381333549 /nfs/dbraw/zinc/33/35/49/381333549.db2.gz AJPFTHZDHQPQNO-CYBMUJFWSA-N 2 0 284.444 2.569 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCCCN1CC(C)C ZINC000354553633 381336190 /nfs/dbraw/zinc/33/61/90/381336190.db2.gz XNSCAVSNFUQUHA-HNNXBMFYSA-N 2 0 298.471 2.676 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000354566059 381340965 /nfs/dbraw/zinc/34/09/65/381340965.db2.gz KSLIILZKOJHHEH-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000290206036 381341715 /nfs/dbraw/zinc/34/17/15/381341715.db2.gz PNHOPBUSTOCPFD-KBAYOESNSA-N 2 0 290.451 2.912 20 0 CFADRP C([NH2+][C@@H]1CCSC1)[C@@H]1CCCN1C1CCCCC1 ZINC000369722627 381320192 /nfs/dbraw/zinc/32/01/92/381320192.db2.gz SMSXIAYOECNTCW-HIFRSBDPSA-N 2 0 268.470 2.879 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354586865 381355020 /nfs/dbraw/zinc/35/50/20/381355020.db2.gz QTFZGAMLGGGPGZ-HNNXBMFYSA-N 2 0 295.515 2.674 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000359334975 381359125 /nfs/dbraw/zinc/35/91/25/381359125.db2.gz SYZCKNWZDSZXRD-UONOGXRCSA-N 2 0 264.438 2.815 20 0 CFADRP Cc1cc(NCC2=CC[N@H+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000354570655 381343343 /nfs/dbraw/zinc/34/33/43/381343343.db2.gz HHIAHFSEUZKZPH-UHFFFAOYSA-N 2 0 285.366 2.778 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(C)c1O ZINC000290384053 381406122 /nfs/dbraw/zinc/40/61/22/381406122.db2.gz IHTIVYFMAFEPBG-SJORKVTESA-N 2 0 288.435 2.925 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000296418283 381386778 /nfs/dbraw/zinc/38/67/78/381386778.db2.gz MJZRFTUHYRLRML-GOEBONIOSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000296517782 381430098 /nfs/dbraw/zinc/43/00/98/381430098.db2.gz RWHIIWXKRQGMBJ-CJNGLKHVSA-N 2 0 287.432 2.773 20 0 CFADRP Cc1cnccc1C[NH2+]CCCCCCC[NH+](C)C ZINC000296517971 381430204 /nfs/dbraw/zinc/43/02/04/381430204.db2.gz RYJUMBMXLKSBNE-UHFFFAOYSA-N 2 0 263.429 2.992 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000359489065 381432414 /nfs/dbraw/zinc/43/24/14/381432414.db2.gz PXEXRNFQPFRSIZ-AWEZNQCLSA-N 2 0 269.392 2.801 20 0 CFADRP CN(CC[NH+]1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000370353278 381433410 /nfs/dbraw/zinc/43/34/10/381433410.db2.gz LAYYWOZXQNJPKM-UHFFFAOYSA-N 2 0 284.407 2.726 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000296530260 381435530 /nfs/dbraw/zinc/43/55/30/381435530.db2.gz SOPNEIMVJGOMBY-LBPRGKRZSA-N 2 0 250.411 2.630 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000342618065 381437715 /nfs/dbraw/zinc/43/77/15/381437715.db2.gz SIUAVGOLYYDWQW-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1ccncc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290544846 381473698 /nfs/dbraw/zinc/47/36/98/381473698.db2.gz RMGCRQONPBJUSG-INIZCTEOSA-N 2 0 273.424 2.554 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000359566464 381475201 /nfs/dbraw/zinc/47/52/01/381475201.db2.gz VQVJCENFRLBHFS-PMPSAXMXSA-N 2 0 250.430 2.983 20 0 CFADRP COC[C@@H]([NH2+]CCCc1cnccc1C)c1ccco1 ZINC000290558104 381478168 /nfs/dbraw/zinc/47/81/68/381478168.db2.gz ZLKZLUCCLORHEP-OAHLLOKOSA-N 2 0 274.364 2.893 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccsc1 ZINC000370633173 381480698 /nfs/dbraw/zinc/48/06/98/381480698.db2.gz GDWUSCQQFMNHTR-HIFRSBDPSA-N 2 0 293.480 2.567 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000296569823 381454457 /nfs/dbraw/zinc/45/44/57/381454457.db2.gz SVQUELSIVIRKHZ-QLFBSQMISA-N 2 0 275.440 2.678 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2ccco2)C1 ZINC000370494459 381457528 /nfs/dbraw/zinc/45/75/28/381457528.db2.gz DWTORBRVAZGLGE-HUUCEWRRSA-N 2 0 262.397 2.943 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000342673201 381470619 /nfs/dbraw/zinc/47/06/19/381470619.db2.gz GZCGCSPIDQXVFO-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1C ZINC000348322855 381506344 /nfs/dbraw/zinc/50/63/44/381506344.db2.gz VWVQHEJSFDLDBV-IRXDYDNUSA-N 2 0 292.471 2.682 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000342744549 381512907 /nfs/dbraw/zinc/51/29/07/381512907.db2.gz LGIRMDSXKFHSJP-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H](C[NH+](C)C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000348296983 381486037 /nfs/dbraw/zinc/48/60/37/381486037.db2.gz YXLICGUKQLWHDW-UXLLHSPISA-N 2 0 281.488 2.569 20 0 CFADRP CCC(=O)CC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000370682131 381490402 /nfs/dbraw/zinc/49/04/02/381490402.db2.gz DNHULARWVYYKTB-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+](C)C1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354858636 381492122 /nfs/dbraw/zinc/49/21/22/381492122.db2.gz BNVWDUZHIFIZLO-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC000354862929 381494040 /nfs/dbraw/zinc/49/40/40/381494040.db2.gz XKFADGUEYXHUIB-SJLPKXTDSA-N 2 0 294.483 2.591 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)OC ZINC000348306681 381496111 /nfs/dbraw/zinc/49/61/11/381496111.db2.gz ZOWDPYNOGCNRPM-ILXRZTDVSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCOC ZINC000348311758 381499188 /nfs/dbraw/zinc/49/91/88/381499188.db2.gz IVISGONUCGWKHC-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC[C@H](C)O)CC1 ZINC000354878562 381501530 /nfs/dbraw/zinc/50/15/30/381501530.db2.gz LOAMNUCWWIKTLO-HNNXBMFYSA-N 2 0 270.461 2.591 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CCCC[NH+]1CCOCC1 ZINC000359662777 381541353 /nfs/dbraw/zinc/54/13/53/381541353.db2.gz LAIJZJJYEKRTBX-CYBMUJFWSA-N 2 0 296.377 2.810 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000348366468 381536552 /nfs/dbraw/zinc/53/65/52/381536552.db2.gz BOFYMTLDSUBGSO-LTIDMASMSA-N 2 0 294.483 2.779 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000414284779 381574581 /nfs/dbraw/zinc/57/45/81/381574581.db2.gz KWAMKOBYABDUQQ-GJZGRUSLSA-N 2 0 290.455 2.633 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359688290 381556838 /nfs/dbraw/zinc/55/68/38/381556838.db2.gz RBNYGAJQIMRHPT-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000414169804 381567154 /nfs/dbraw/zinc/56/71/54/381567154.db2.gz BNSVJMDXWSRIJW-VQHPVUNQSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000414178439 381569680 /nfs/dbraw/zinc/56/96/80/381569680.db2.gz JUYJUSKXRDBWFW-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414705433 381600233 /nfs/dbraw/zinc/60/02/33/381600233.db2.gz NJUHJIDAQMWEQX-LSDHHAIUSA-N 2 0 294.414 2.915 20 0 CFADRP CCN(CC)C(=O)C1(NC[C@H]([NH3+])CC(C)C)CCCCC1 ZINC000414704095 381600612 /nfs/dbraw/zinc/60/06/12/381600612.db2.gz JFVOHPJDJMSVLM-OAHLLOKOSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](CC(F)F)CC2CCC2)CC[NH2+]1 ZINC000414739268 381602241 /nfs/dbraw/zinc/60/22/41/381602241.db2.gz CBIDMNMGTOWNQD-YPMHNXCESA-N 2 0 260.372 2.742 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414847251 381607112 /nfs/dbraw/zinc/60/71/12/381607112.db2.gz VTVSOQCEDSZLCU-ZIAGYGMSSA-N 2 0 285.435 2.779 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000414930069 381620095 /nfs/dbraw/zinc/62/00/95/381620095.db2.gz SLCPUSNDSFGGMR-RYUDHWBXSA-N 2 0 288.313 2.945 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414936707 381626970 /nfs/dbraw/zinc/62/69/70/381626970.db2.gz ZJWMGSUUAKVVMF-CVEARBPZSA-N 2 0 298.434 2.849 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414936359 381627905 /nfs/dbraw/zinc/62/79/05/381627905.db2.gz ZGASAXABZZKDKC-IMJJTQAJSA-N 2 0 276.424 2.876 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414945983 381636176 /nfs/dbraw/zinc/63/61/76/381636176.db2.gz JBANJQUMINVEDE-ZWNOBZJWSA-N 2 0 272.314 2.936 20 0 CFADRP CC1([NH2+]C/C=C/c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000414944791 381636887 /nfs/dbraw/zinc/63/68/87/381636887.db2.gz QKNUXDVKKVKOSL-NSCUHMNNSA-N 2 0 266.335 2.710 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414944571 381637006 /nfs/dbraw/zinc/63/70/06/381637006.db2.gz QFIHZYJESCHALV-VYDXJSESSA-N 2 0 260.425 2.904 20 0 CFADRP COc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)ccc2c1 ZINC000414937854 381629589 /nfs/dbraw/zinc/62/95/89/381629589.db2.gz COXFBPLIEZRVPF-SCLBCKFNSA-N 2 0 284.403 2.936 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000414941255 381631541 /nfs/dbraw/zinc/63/15/41/381631541.db2.gz LHMCKONXYPFOQK-ABAIWWIYSA-N 2 0 284.806 2.999 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414941412 381631939 /nfs/dbraw/zinc/63/19/39/381631939.db2.gz ASMLCLVATFQQKY-ZWKOTPCHSA-N 2 0 290.451 2.756 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000414944003 381633403 /nfs/dbraw/zinc/63/34/03/381633403.db2.gz OTRKEVZNXHNAMP-XEZPLFJOSA-N 2 0 294.414 2.601 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000414944022 381633454 /nfs/dbraw/zinc/63/34/54/381633454.db2.gz OVVWDTOIYXCZMC-UBDQQSCGSA-N 2 0 272.436 2.985 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414941927 381633583 /nfs/dbraw/zinc/63/35/83/381633583.db2.gz CWORDWASCFHMRU-ZFWWWQNUSA-N 2 0 262.397 2.704 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414943877 381633754 /nfs/dbraw/zinc/63/37/54/381633754.db2.gz OMTAOEDMYLTYFK-IOASZLSFSA-N 2 0 264.388 2.734 20 0 CFADRP CC[NH2+][C@H](C)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414949601 381640828 /nfs/dbraw/zinc/64/08/28/381640828.db2.gz FBUKADQPFYTAGY-JFIYKMOQSA-N 2 0 289.467 2.627 20 0 CFADRP CC[C@@H](C[NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414948836 381641359 /nfs/dbraw/zinc/64/13/59/381641359.db2.gz YGPWFXVBUIKMBR-DOTOQJQBSA-N 2 0 276.424 2.538 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCCC(C)C)CCC[NH2+]1 ZINC000414952201 381642910 /nfs/dbraw/zinc/64/29/10/381642910.db2.gz HXVDQWOAJMKIOJ-CABCVRRESA-N 2 0 256.434 2.559 20 0 CFADRP C[C@H]1[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1c1ccccc1 ZINC000414961291 381656955 /nfs/dbraw/zinc/65/69/55/381656955.db2.gz YSLZPVYZJWBTHN-LYHPXFHOSA-N 2 0 258.409 2.909 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414961939 381658765 /nfs/dbraw/zinc/65/87/65/381658765.db2.gz RXAPSNVANDMFOF-RHSMWYFYSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H](C[NH2+]CCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000414963849 381660106 /nfs/dbraw/zinc/66/01/06/381660106.db2.gz DCWGPKBWDBRGBY-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)o1 ZINC000414969777 381666156 /nfs/dbraw/zinc/66/61/56/381666156.db2.gz JMCSTXXROPPYKC-CQSZACIVSA-N 2 0 288.395 2.600 20 0 CFADRP Cn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2ccccc2)n1 ZINC000414972664 381667166 /nfs/dbraw/zinc/66/71/66/381667166.db2.gz MRSKNCFMPDUQBM-QGZVFWFLSA-N 2 0 298.434 2.709 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000414971074 381667485 /nfs/dbraw/zinc/66/74/85/381667485.db2.gz VTWBHVAWWPXRGD-IRXDYDNUSA-N 2 0 258.409 2.666 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414970636 381667932 /nfs/dbraw/zinc/66/79/32/381667932.db2.gz VOCYYYXTUDREIT-BRWVUGGUSA-N 2 0 273.424 2.588 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414975810 381671207 /nfs/dbraw/zinc/67/12/07/381671207.db2.gz HBIOJESXTAQXTN-CZUORRHYSA-N 2 0 273.424 2.665 20 0 CFADRP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]c2ccccc12 ZINC000359875436 381652879 /nfs/dbraw/zinc/65/28/79/381652879.db2.gz LHQFYVWAGDRFCU-ZDUSSCGKSA-N 2 0 257.381 2.799 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000414960350 381654144 /nfs/dbraw/zinc/65/41/44/381654144.db2.gz APOOELXWEOUMSW-MRXNPFEDSA-N 2 0 276.424 2.953 20 0 CFADRP FC(F)(F)c1cnc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414958807 381654327 /nfs/dbraw/zinc/65/43/27/381654327.db2.gz DJMLMVRIVXKOPE-VIFPVBQESA-N 2 0 293.358 2.784 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000415013650 381708301 /nfs/dbraw/zinc/70/83/01/381708301.db2.gz YTBCQZWTPACXEL-KBRIMQKVSA-N 2 0 288.435 2.660 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015715 381709692 /nfs/dbraw/zinc/70/96/92/381709692.db2.gz ZARXFHGHZFLLOL-FGTMMUONSA-N 2 0 272.436 2.985 20 0 CFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000415015897 381709787 /nfs/dbraw/zinc/70/97/87/381709787.db2.gz BMWWDMBQJGVOPR-LBPRGKRZSA-N 2 0 290.386 2.537 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1 ZINC000415016186 381710581 /nfs/dbraw/zinc/71/05/81/381710581.db2.gz BTLIGLOOLWQQKR-CABCVRRESA-N 2 0 291.439 2.738 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015782 381710658 /nfs/dbraw/zinc/71/06/58/381710658.db2.gz ZJXBSOHKPOLWDP-VBNZEHGJSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000415018250 381711476 /nfs/dbraw/zinc/71/14/76/381711476.db2.gz UEWXZXCBPMAMQZ-CYBMUJFWSA-N 2 0 290.386 2.619 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c(F)cccc1Br ZINC000415017121 381711554 /nfs/dbraw/zinc/71/15/54/381711554.db2.gz DWSOGUXRZKQMJT-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415018612 381712906 /nfs/dbraw/zinc/71/29/06/381712906.db2.gz UPEOGHUYRYLZJR-QWHCGFSZSA-N 2 0 295.402 2.650 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000415018987 381713784 /nfs/dbraw/zinc/71/37/84/381713784.db2.gz VDDIZMMXMSYAHH-GFCCVEGCSA-N 2 0 278.425 2.541 20 0 CFADRP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724370 381715679 /nfs/dbraw/zinc/71/56/79/381715679.db2.gz WNDCLYWGEDFXMZ-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414980637 381675407 /nfs/dbraw/zinc/67/54/07/381675407.db2.gz AQPLLCKUBDZMTF-NEPJUHHUSA-N 2 0 297.830 2.692 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000414984260 381679215 /nfs/dbraw/zinc/67/92/15/381679215.db2.gz ACBSZSRGCDWETA-YPMHNXCESA-N 2 0 282.815 2.956 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414984962 381679244 /nfs/dbraw/zinc/67/92/44/381679244.db2.gz HEERJTFSXYEWIT-CHWSQXEVSA-N 2 0 271.408 2.661 20 0 CFADRP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414985832 381679278 /nfs/dbraw/zinc/67/92/78/381679278.db2.gz BOMXJILMPGNGTL-OLZOCXBDSA-N 2 0 296.484 2.596 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000414990710 381685165 /nfs/dbraw/zinc/68/51/65/381685165.db2.gz IZOYAJXYHXTWCB-KOLCDFICSA-N 2 0 272.314 2.711 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(OC(F)F)c1 ZINC000415024320 381716536 /nfs/dbraw/zinc/71/65/36/381716536.db2.gz OSQSANWSXWGBAW-JTQLQIEISA-N 2 0 288.338 2.514 20 0 CFADRP Cc1ccsc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355220357 381687705 /nfs/dbraw/zinc/68/77/05/381687705.db2.gz KVRCXCYVRDBHDV-RBSFLKMASA-N 2 0 294.464 2.740 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000415023427 381716635 /nfs/dbraw/zinc/71/66/35/381716635.db2.gz LDQZHEDMOFWXGV-HDJSIYSDSA-N 2 0 258.409 2.509 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1C ZINC000359936739 381689224 /nfs/dbraw/zinc/68/92/24/381689224.db2.gz SJVYDUGPHIAXOE-IAGOWNOFSA-N 2 0 289.467 2.751 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000414999801 381691367 /nfs/dbraw/zinc/69/13/67/381691367.db2.gz SMYQCACYDRENNJ-OCCSQVGLSA-N 2 0 287.382 2.981 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1 ZINC000415024434 381716912 /nfs/dbraw/zinc/71/69/12/381716912.db2.gz NPDDNFSMQHDEMF-HDJSIYSDSA-N 2 0 292.423 2.559 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3cccc(F)c3)C[C@@H]21 ZINC000348752055 381694831 /nfs/dbraw/zinc/69/48/31/381694831.db2.gz SZJXCGAJXUUGOD-BHYGNILZSA-N 2 0 276.399 2.818 20 0 CFADRP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415003142 381695272 /nfs/dbraw/zinc/69/52/72/381695272.db2.gz WTQBYLQKBNMEHE-UKRRQHHQSA-N 2 0 262.397 2.611 20 0 CFADRP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415003360 381696842 /nfs/dbraw/zinc/69/68/42/381696842.db2.gz WZWDWPOMBSEHPZ-TZMCWYRMSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2F)C1 ZINC000415004982 381697173 /nfs/dbraw/zinc/69/71/73/381697173.db2.gz YOXOGLQVCHBYAW-MNOVXSKESA-N 2 0 254.324 2.572 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415005078 381698025 /nfs/dbraw/zinc/69/80/25/381698025.db2.gz OTTLXNQDQDJWCA-PWXKEOIMSA-N 2 0 276.399 2.764 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000415005515 381698705 /nfs/dbraw/zinc/69/87/05/381698705.db2.gz PCGMCLWASUKXNX-XKQJLSEDSA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415007804 381700890 /nfs/dbraw/zinc/70/08/90/381700890.db2.gz RPRVTKQAQYCKCT-VNHYZAJKSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000185672849 381701905 /nfs/dbraw/zinc/70/19/05/381701905.db2.gz CDVIVYBDUKDZDT-BBWFWOEESA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000415011402 381703948 /nfs/dbraw/zinc/70/39/48/381703948.db2.gz HTAUCPGVFKEMLQ-GMTAPVOTSA-N 2 0 274.330 2.962 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415010545 381704202 /nfs/dbraw/zinc/70/42/02/381704202.db2.gz VEWBUAOXBAMKSY-OUAUKWLOSA-N 2 0 252.324 2.825 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c(Cl)c1 ZINC000415010162 381704993 /nfs/dbraw/zinc/70/49/93/381704993.db2.gz GOLSJBVGHNEZFB-SRVKXCTJSA-N 2 0 297.830 2.691 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCC[C@@H](C)O)CC1 ZINC000355257093 381706679 /nfs/dbraw/zinc/70/66/79/381706679.db2.gz IJEZAZIQMMJLQR-MRXNPFEDSA-N 2 0 284.488 2.981 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000415012719 381706684 /nfs/dbraw/zinc/70/66/84/381706684.db2.gz UCSOSJIODHVLHK-FHLIZLRMSA-N 2 0 272.436 2.843 20 0 CFADRP CC(C)OC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695630 381707621 /nfs/dbraw/zinc/70/76/21/381707621.db2.gz LMHCFLUGKIBDSM-GJZGRUSLSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415014565 381708027 /nfs/dbraw/zinc/70/80/27/381708027.db2.gz LQURSYFOSMNUBX-MGPQQGTHSA-N 2 0 291.439 2.852 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415042359 381730949 /nfs/dbraw/zinc/73/09/49/381730949.db2.gz QPOJNBMRGDVJRH-ZFWWWQNUSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415044588 381733303 /nfs/dbraw/zinc/73/33/03/381733303.db2.gz SGZYAYXVHNCKLM-DOTOQJQBSA-N 2 0 290.451 2.711 20 0 CFADRP C[C@@H]1C[N@H+](CCSCc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415050170 381736646 /nfs/dbraw/zinc/73/66/46/381736646.db2.gz FKNJMZZHXOMPJM-GDBMZVCRSA-N 2 0 278.465 2.837 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000415053297 381738637 /nfs/dbraw/zinc/73/86/37/381738637.db2.gz DNCWAEQDSLCYIS-ZDUSSCGKSA-N 2 0 250.386 2.692 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415055728 381740729 /nfs/dbraw/zinc/74/07/29/381740729.db2.gz RIUZEFILAKKZJF-IRXDYDNUSA-N 2 0 286.419 2.586 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccn(C(F)F)n1)c1ccccc1 ZINC000415053826 381741118 /nfs/dbraw/zinc/74/11/18/381741118.db2.gz MXDTYNXVKBZMBI-AWEZNQCLSA-N 2 0 294.349 2.848 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415060625 381746560 /nfs/dbraw/zinc/74/65/60/381746560.db2.gz XCNXOOIWJQWSKS-NALMEZQBSA-N 2 0 293.499 2.761 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000415064795 381751899 /nfs/dbraw/zinc/75/18/99/381751899.db2.gz DMYLYHWGYCCAHX-CYBMUJFWSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC000185864751 381759513 /nfs/dbraw/zinc/75/95/13/381759513.db2.gz VUHFBBDGNYRCPV-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[NH2+]C2)cc1F ZINC000415070640 381756978 /nfs/dbraw/zinc/75/69/78/381756978.db2.gz IUCAVBJQNXZFMB-DZGCQCFKSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000415027410 381719789 /nfs/dbraw/zinc/71/97/89/381719789.db2.gz WQIHVOLSOLSRAF-VXGBXAGGSA-N 2 0 297.830 2.774 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000415028062 381719997 /nfs/dbraw/zinc/71/99/97/381719997.db2.gz CCKJGPBCOPDAPP-DTWKUNHWSA-N 2 0 278.343 2.984 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000348811732 381720774 /nfs/dbraw/zinc/72/07/74/381720774.db2.gz COKFFGPFDXCHDN-ZIAGYGMSSA-N 2 0 250.386 2.689 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415028601 381721434 /nfs/dbraw/zinc/72/14/34/381721434.db2.gz ZBCJVMLIKZIFSK-SNVBAGLBSA-N 2 0 294.349 2.572 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000415030377 381722213 /nfs/dbraw/zinc/72/22/13/381722213.db2.gz FUJMBCGMMFPZKS-AAEUAGOBSA-N 2 0 252.789 2.865 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415031173 381722862 /nfs/dbraw/zinc/72/28/62/381722862.db2.gz GPETUCGMKZGHEG-GDBMZVCRSA-N 2 0 276.424 2.938 20 0 CFADRP c1ccc(CC(Cc2ccccc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415033419 381723272 /nfs/dbraw/zinc/72/32/72/381723272.db2.gz IPROOWIWFOYVRL-PMOLBWCYSA-N 2 0 292.426 2.648 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000415031125 381723357 /nfs/dbraw/zinc/72/33/57/381723357.db2.gz GMAGBIMZHKZSLF-WCQYABFASA-N 2 0 273.355 2.591 20 0 CFADRP COc1cccc(CCC[NH2+]C[C@@H]([NH3+])CC(C)C)c1 ZINC000415073361 381758009 /nfs/dbraw/zinc/75/80/09/381758009.db2.gz AYMPPHFVAFAALP-HNNXBMFYSA-N 2 0 264.413 2.591 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(Cl)c1OC ZINC000415034105 381725069 /nfs/dbraw/zinc/72/50/69/381725069.db2.gz JIVDFOQSIPOZCR-PWSUYJOCSA-N 2 0 298.814 2.574 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)c2O1 ZINC000415038856 381725973 /nfs/dbraw/zinc/72/59/73/381725973.db2.gz NSOUUBMHAVYYHQ-IUODEOHRSA-N 2 0 274.408 2.617 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415037316 381726675 /nfs/dbraw/zinc/72/66/75/381726675.db2.gz KWWYTTVPTAMOEF-HOCLYGCPSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415129927 381800058 /nfs/dbraw/zinc/80/00/58/381800058.db2.gz ZYDRCKFTOHZPTF-CRAIPNDOSA-N 2 0 298.434 2.552 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cccn1 ZINC000415104211 381782745 /nfs/dbraw/zinc/78/27/45/381782745.db2.gz KVDOQHZQPMSXBE-YJBOKZPZSA-N 2 0 298.434 2.552 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104456 381782920 /nfs/dbraw/zinc/78/29/20/381782920.db2.gz GYMAXAXVLJCZNB-HOTGVXAUSA-N 2 0 268.445 2.641 20 0 CFADRP CC[NH+](CC)CCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415102816 381783714 /nfs/dbraw/zinc/78/37/14/381783714.db2.gz JXVMWRVWPIJQJF-ROUUACIJSA-N 2 0 289.467 2.801 20 0 CFADRP C[N@H+](CCc1cccc(F)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC000343546134 381788215 /nfs/dbraw/zinc/78/82/15/381788215.db2.gz FNXYGUQBJFBEBU-CYBMUJFWSA-N 2 0 282.378 2.781 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000415117974 381789936 /nfs/dbraw/zinc/78/99/36/381789936.db2.gz XPZVBTPVEGFASW-GOEBONIOSA-N 2 0 263.429 2.756 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)CCCc1cccnc1 ZINC000415117979 381790322 /nfs/dbraw/zinc/79/03/22/381790322.db2.gz XPZVBTPVEGFASW-ZBFHGGJFSA-N 2 0 263.429 2.756 20 0 CFADRP Cc1ccc(N[C@H]2CCC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000415120241 381792855 /nfs/dbraw/zinc/79/28/55/381792855.db2.gz LDGGHBJPEYTIDD-HNNXBMFYSA-N 2 0 261.413 2.611 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355674275 381793318 /nfs/dbraw/zinc/79/33/18/381793318.db2.gz BWFQTCKCENGAIK-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415125820 381795555 /nfs/dbraw/zinc/79/55/55/381795555.db2.gz PYLMYPIUVWURJL-UHFFFAOYSA-N 2 0 275.440 2.986 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415129721 381796545 /nfs/dbraw/zinc/79/65/45/381796545.db2.gz PMUWMKYSIQPJHJ-GUTXKFCHSA-N 2 0 264.388 2.846 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1nccs1 ZINC000415129079 381797248 /nfs/dbraw/zinc/79/72/48/381797248.db2.gz YMKOBBAMVLNDGX-HTAVTVPLSA-N 2 0 253.415 2.701 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415074810 381761016 /nfs/dbraw/zinc/76/10/16/381761016.db2.gz PVRGCXLMXQFZJL-HOCLYGCPSA-N 2 0 276.424 2.748 20 0 CFADRP CCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1F ZINC000415075784 381761208 /nfs/dbraw/zinc/76/12/08/381761208.db2.gz AGOOBFHQQGUYLE-UHFFFAOYSA-N 2 0 280.387 2.832 20 0 CFADRP CC[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)Oc1ccccc1C ZINC000415075404 381761430 /nfs/dbraw/zinc/76/14/30/381761430.db2.gz FDDYUWGKWLZKKB-CVEARBPZSA-N 2 0 276.424 2.884 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415074813 381761819 /nfs/dbraw/zinc/76/18/19/381761819.db2.gz PVRGCXLMXQFZJL-ZBFHGGJFSA-N 2 0 276.424 2.748 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCOc2cccc(Cl)c2)CC1 ZINC000415078643 381762814 /nfs/dbraw/zinc/76/28/14/381762814.db2.gz GOWFDRYSXWYYKQ-UHFFFAOYSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H](C[NH2+]C1CCC([NH3+])CC1)Cc1cccs1 ZINC000415078239 381762931 /nfs/dbraw/zinc/76/29/31/381762931.db2.gz GFXUQKKLVCIIER-HIFPTAJRSA-N 2 0 252.427 2.786 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415080079 381765289 /nfs/dbraw/zinc/76/52/89/381765289.db2.gz KXWZDSJDPBYMAE-UHFFFAOYSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOc1cccc(Cl)c1 ZINC000415079131 381766169 /nfs/dbraw/zinc/76/61/69/381766169.db2.gz HIIARNAPLUAYAE-JSGCOSHPSA-N 2 0 282.815 2.839 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000415081719 381767115 /nfs/dbraw/zinc/76/71/15/381767115.db2.gz KVLUILPVBHNJHH-CGZBRXJRSA-N 2 0 287.451 2.620 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000415082580 381767504 /nfs/dbraw/zinc/76/75/04/381767504.db2.gz LZOHRESMXRAPRH-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CCc2ccccc2Cl)CC[NH2+]1 ZINC000415084317 381769912 /nfs/dbraw/zinc/76/99/12/381769912.db2.gz GUVSOBXDBMHVSU-QWHCGFSZSA-N 2 0 266.816 2.860 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000415085442 381771621 /nfs/dbraw/zinc/77/16/21/381771621.db2.gz QOPANROSLQKKLA-INIZCTEOSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CCc2cccc(Cl)c2)CC[NH2+]1 ZINC000415085077 381771814 /nfs/dbraw/zinc/77/18/14/381771814.db2.gz HVOLMNLYHGQDBU-JSGCOSHPSA-N 2 0 266.816 2.860 20 0 CFADRP CC(C)(C[NH2+]C[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000415087534 381772981 /nfs/dbraw/zinc/77/29/81/381772981.db2.gz UVYVPSNUAJJTAA-MRXNPFEDSA-N 2 0 260.425 2.845 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC1CC[NH+](CC)CC1 ZINC000360247356 381773447 /nfs/dbraw/zinc/77/34/47/381773447.db2.gz ZWZGKWSEWUVVGK-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCCc1cccc(F)c1 ZINC000415086675 381773557 /nfs/dbraw/zinc/77/35/57/381773557.db2.gz JZDGNIKSZYINKI-OAHLLOKOSA-N 2 0 252.377 2.721 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000415089031 381775715 /nfs/dbraw/zinc/77/57/15/381775715.db2.gz XCQGCFUMLGUSNG-XSCHDIRWSA-N 2 0 268.445 2.687 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000415091994 381777365 /nfs/dbraw/zinc/77/73/65/381777365.db2.gz RQHIACDITMTWFN-OCCSQVGLSA-N 2 0 280.387 2.702 20 0 CFADRP C[C@@]1(C[NH2+]CCc2cc3ccccc3o2)CC[NH2+]C1 ZINC000415092934 381778845 /nfs/dbraw/zinc/77/88/45/381778845.db2.gz UJADNBNIOSTFBA-INIZCTEOSA-N 2 0 258.365 2.565 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000356134104 381825882 /nfs/dbraw/zinc/82/58/82/381825882.db2.gz KENIGVMPOUCGFA-HNNXBMFYSA-N 2 0 282.497 2.936 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC2(OC)CCCC2)CC1 ZINC000361506679 381838480 /nfs/dbraw/zinc/83/84/80/381838480.db2.gz AWBQLTBJXUBAFM-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000415137125 381804045 /nfs/dbraw/zinc/80/40/45/381804045.db2.gz XQHVUMRYHPXCBN-ZBFHGGJFSA-N 2 0 298.434 2.504 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349296251 381879886 /nfs/dbraw/zinc/87/98/86/381879886.db2.gz LGTYRVJVFXNFJV-HZPDHXFCSA-N 2 0 281.488 2.523 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349296250 381879934 /nfs/dbraw/zinc/87/99/34/381879934.db2.gz LGTYRVJVFXNFJV-HOTGVXAUSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000356881242 381882265 /nfs/dbraw/zinc/88/22/65/381882265.db2.gz UTYMRKOISIHLMM-DZGCQCFKSA-N 2 0 294.414 2.792 20 0 CFADRP C[C@@H]1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000343618613 381847366 /nfs/dbraw/zinc/84/73/66/381847366.db2.gz TZQREZDIWBQNDW-JTTNIQEDSA-N 2 0 268.445 2.508 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000372702435 381853119 /nfs/dbraw/zinc/85/31/19/381853119.db2.gz GLQPCZYGCWRFGM-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676492 381855380 /nfs/dbraw/zinc/85/53/80/381855380.db2.gz ZGQHQKDEUSLZPR-OWSLCNJRSA-N 2 0 294.483 2.998 20 0 CFADRP CCCC[C@@H](CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349317693 381886233 /nfs/dbraw/zinc/88/62/33/381886233.db2.gz ANUMIEWQPOTWBO-JKSUJKDBSA-N 2 0 269.477 2.571 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)CCC2CC2)CC1 ZINC000186243142 381862397 /nfs/dbraw/zinc/86/23/97/381862397.db2.gz OGJOSKOHJSELPO-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356863279 381870883 /nfs/dbraw/zinc/87/08/83/381870883.db2.gz KBXDALWONIDRAX-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361896653 381871739 /nfs/dbraw/zinc/87/17/39/381871739.db2.gz KVYDSIXZEDMUTA-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1ccnn1C(C)C ZINC000349416779 381930425 /nfs/dbraw/zinc/93/04/25/381930425.db2.gz LUCXYAUWOFSDQA-UHFFFAOYSA-N 2 0 266.433 2.628 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)[C@H](c1ccccc1)N(C)C ZINC000349383496 381919811 /nfs/dbraw/zinc/91/98/11/381919811.db2.gz VAQMOZQWIUIKAG-XOSAIJSUSA-N 2 0 276.424 2.835 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCSC1 ZINC000349413836 381929000 /nfs/dbraw/zinc/92/90/00/381929000.db2.gz FNAHUVAEIZCLJC-CQSZACIVSA-N 2 0 256.459 2.547 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000186346478 381887758 /nfs/dbraw/zinc/88/77/58/381887758.db2.gz UXSYLFQMQISSRH-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@H]1CCCOC1 ZINC000356895615 381892705 /nfs/dbraw/zinc/89/27/05/381892705.db2.gz KRGJCJIBOXUIJW-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186597885 381959914 /nfs/dbraw/zinc/95/99/14/381959914.db2.gz CDJMLUHFEFJZQV-IRXDYDNUSA-N 2 0 283.504 2.817 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000186568628 381950570 /nfs/dbraw/zinc/95/05/70/381950570.db2.gz NXHPJYSLHQOVHI-LSDHHAIUSA-N 2 0 293.455 2.519 20 0 CFADRP c1ccc(CC2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000186579876 381953495 /nfs/dbraw/zinc/95/34/95/381953495.db2.gz OYCHWZNPTQABJK-DLBZAZTESA-N 2 0 270.420 2.978 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000357074439 381997258 /nfs/dbraw/zinc/99/72/58/381997258.db2.gz MHDQVEGMCSOQJF-SFHVURJKSA-N 2 0 284.403 2.952 20 0 CFADRP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357070170 381997392 /nfs/dbraw/zinc/99/73/92/381997392.db2.gz ACUBJJSIUJJEDC-SJORKVTESA-N 2 0 276.424 2.620 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCOCC[NH3+])cc1 ZINC000357084412 382003028 /nfs/dbraw/zinc/00/30/28/382003028.db2.gz QEAPYLHXIMNSRL-IAGOWNOFSA-N 2 0 276.424 2.538 20 0 CFADRP Cc1nc2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000357057065 381991315 /nfs/dbraw/zinc/99/13/15/381991315.db2.gz UALJDHQIPRQFPU-KBPBESRZSA-N 2 0 287.432 2.646 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357061282 381992246 /nfs/dbraw/zinc/99/22/46/381992246.db2.gz ZYCSYDMBJGYZAA-INIZCTEOSA-N 2 0 274.408 2.517 20 0 CFADRP Fc1cc(F)cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357061293 381992825 /nfs/dbraw/zinc/99/28/25/381992825.db2.gz ZYOOKJNLOFXZQZ-CQSZACIVSA-N 2 0 280.362 2.786 20 0 CFADRP CCC1CC([NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000343984221 382047929 /nfs/dbraw/zinc/04/79/29/382047929.db2.gz MAXQORZKLNTQQY-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343981800 382048442 /nfs/dbraw/zinc/04/84/42/382048442.db2.gz MLAUWJTWBHPYAK-SJORKVTESA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000300688203 382066829 /nfs/dbraw/zinc/06/68/29/382066829.db2.gz REFXWMOLYIIJQC-BZUAXINKSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417305818 382035384 /nfs/dbraw/zinc/03/53/84/382035384.db2.gz XYFDXQNIXONVQR-FRRDWIJNSA-N 2 0 252.427 2.781 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351323032 382036946 /nfs/dbraw/zinc/03/69/46/382036946.db2.gz DTQMEZKLVALQFJ-SJORKVTESA-N 2 0 281.488 2.525 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000351416885 382037851 /nfs/dbraw/zinc/03/78/51/382037851.db2.gz PVQGDXZPDHYREE-QZTJIDSGSA-N 2 0 293.499 2.669 20 0 CFADRP COCc1ccccc1/C=C(/C)C[NH2+]CCC[NH+](C)C ZINC000351995528 382114247 /nfs/dbraw/zinc/11/42/47/382114247.db2.gz QNNLOFRCELYAOI-QINSGFPZSA-N 2 0 276.424 2.778 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(C)c1Cl ZINC000357335019 382115799 /nfs/dbraw/zinc/11/57/99/382115799.db2.gz JTDWSIIRYCYNGG-GFCCVEGCSA-N 2 0 267.804 2.752 20 0 CFADRP CCn1cncc1CNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418046605 382116746 /nfs/dbraw/zinc/11/67/46/382116746.db2.gz PHHQZOWYLNVUGO-MRXNPFEDSA-N 2 0 290.455 2.790 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362517119 382117636 /nfs/dbraw/zinc/11/76/36/382117636.db2.gz WJQVXEXEHBDQGS-UHFFFAOYSA-N 2 0 268.763 2.831 20 0 CFADRP CC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240458 382072214 /nfs/dbraw/zinc/07/22/14/382072214.db2.gz UOWAWJLAWSQMKU-RYQLBKOJSA-N 2 0 290.451 2.648 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1(C)C ZINC000344027363 382076748 /nfs/dbraw/zinc/07/67/48/382076748.db2.gz VISJMNWFINBSMR-RRFJBIMHSA-N 2 0 270.461 2.900 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000344030106 382078871 /nfs/dbraw/zinc/07/88/71/382078871.db2.gz YPAPKRLFCVRIJX-SJORKVTESA-N 2 0 292.467 2.941 20 0 CFADRP CC1(C)C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000417851024 382080998 /nfs/dbraw/zinc/08/09/98/382080998.db2.gz YCZTUYNANAKEES-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP Cc1sccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293559384 382174998 /nfs/dbraw/zinc/17/49/98/382174998.db2.gz FXWFYPSREBLPFO-HNNXBMFYSA-N 2 0 264.438 2.974 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C[C@H]1OC ZINC000344109200 382132799 /nfs/dbraw/zinc/13/27/99/382132799.db2.gz LQPDHMKGODNEMX-ZIAGYGMSSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000344129330 382146724 /nfs/dbraw/zinc/14/67/24/382146724.db2.gz XSGUYXJXPZRZHE-BGTYHANMSA-N 2 0 288.435 2.837 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc2n1 ZINC000187285962 382147252 /nfs/dbraw/zinc/14/72/52/382147252.db2.gz GJXPLDGPRULJCV-MRXNPFEDSA-N 2 0 283.419 2.927 20 0 CFADRP CCCCC[N@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344157767 382167449 /nfs/dbraw/zinc/16/74/49/382167449.db2.gz WORGVOFMRSNPPK-UHFFFAOYSA-N 2 0 269.477 2.526 20 0 CFADRP CCC1(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)COC1 ZINC000344212715 382202006 /nfs/dbraw/zinc/20/20/06/382202006.db2.gz MKNDEVUOLOWNOC-RDJZCZTQSA-N 2 0 288.435 2.838 20 0 CFADRP C[N@H+](CC1CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362719499 382214205 /nfs/dbraw/zinc/21/42/05/382214205.db2.gz KZNBESPTAFEQFF-GOSISDBHSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1nocc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000293650740 382214976 /nfs/dbraw/zinc/21/49/76/382214976.db2.gz SJJNHRCOESSIFZ-RDTXWAMCSA-N 2 0 299.418 2.983 20 0 CFADRP Cc1nocc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000293650738 382215150 /nfs/dbraw/zinc/21/51/50/382215150.db2.gz SJJNHRCOESSIFZ-KSSFIOAISA-N 2 0 299.418 2.983 20 0 CFADRP CC(C)n1ccnc1CN1CCC[N@@H+](CC[C@@H](C)F)CC1 ZINC000377128432 382222518 /nfs/dbraw/zinc/22/25/18/382222518.db2.gz OQKWBBKEWGSNKD-OAHLLOKOSA-N 2 0 296.434 2.720 20 0 CFADRP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc[nH+]1 ZINC000302231356 382223186 /nfs/dbraw/zinc/22/31/86/382223186.db2.gz XMGNFFKSUOLZQP-ZBFHGGJFSA-N 2 0 259.397 2.842 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000680334978 542305067 /nfs/dbraw/zinc/30/50/67/542305067.db2.gz PNDJWNFPHBSFGG-WBMJQRKESA-N 2 0 288.370 2.756 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CCCn2ccnc2C)C1 ZINC000364160587 382275625 /nfs/dbraw/zinc/27/56/25/382275625.db2.gz PTDRQNWWOVFLHU-INIZCTEOSA-N 2 0 279.428 2.720 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc12 ZINC000293788487 382279819 /nfs/dbraw/zinc/27/98/19/382279819.db2.gz UHYZXLMSVGODGZ-JQWIXIFHSA-N 2 0 294.468 2.792 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CC1(C)C ZINC000419316476 382284570 /nfs/dbraw/zinc/28/45/70/382284570.db2.gz QHHWYCPFWYOLLV-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1sccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000293806420 382286340 /nfs/dbraw/zinc/28/63/40/382286340.db2.gz DPXFYWAXAQEFRO-UHFFFAOYSA-N 2 0 295.496 2.514 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377543468 382287133 /nfs/dbraw/zinc/28/71/33/382287133.db2.gz QWBFOPPSJFRVMJ-IAGOWNOFSA-N 2 0 273.424 2.539 20 0 CFADRP Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000302335439 382239915 /nfs/dbraw/zinc/23/99/15/382239915.db2.gz VFWGVSHNMRDUIU-KRWDZBQOSA-N 2 0 269.392 2.975 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)COC1 ZINC000352255872 382250706 /nfs/dbraw/zinc/25/07/06/382250706.db2.gz CGWHDBUTBWLTCJ-UHFFFAOYSA-N 2 0 288.435 2.799 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN1C ZINC000364057651 382254320 /nfs/dbraw/zinc/25/43/20/382254320.db2.gz OCDOTOIUZBYLKG-SJORKVTESA-N 2 0 290.455 2.530 20 0 CFADRP CC(C)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000344331067 382260794 /nfs/dbraw/zinc/26/07/94/382260794.db2.gz OVRYQLYCMUTCIB-INIZCTEOSA-N 2 0 259.397 2.630 20 0 CFADRP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc(C)c1O ZINC000293757107 382265778 /nfs/dbraw/zinc/26/57/78/382265778.db2.gz XHVFWXNLELWEGN-GOSISDBHSA-N 2 0 288.435 2.927 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000293765714 382269594 /nfs/dbraw/zinc/26/95/94/382269594.db2.gz SKHBTHJLKBAZQS-LSDHHAIUSA-N 2 0 286.423 2.721 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000680469164 542327591 /nfs/dbraw/zinc/32/75/91/542327591.db2.gz FWFIEGQTMCUICE-DGCLKSJQSA-N 2 0 281.469 2.875 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1OC ZINC000293854656 382307153 /nfs/dbraw/zinc/30/71/53/382307153.db2.gz XMYNDMBDHOJKKZ-TZMCWYRMSA-N 2 0 294.439 2.861 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293857050 382309620 /nfs/dbraw/zinc/30/96/20/382309620.db2.gz XOXXQYDDJILOIU-RBSFLKMASA-N 2 0 278.440 2.975 20 0 CFADRP Cc1cc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc[nH+]1 ZINC000364346791 382313050 /nfs/dbraw/zinc/31/30/50/382313050.db2.gz CHYFHJGAXPNDAO-XJKSGUPXSA-N 2 0 287.432 2.978 20 0 CFADRP Cc1ccc(C[C@@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420294578 382345831 /nfs/dbraw/zinc/34/58/31/382345831.db2.gz BHHTXGLIMLSGKK-WBVHZDCISA-N 2 0 260.425 2.857 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000420294547 382345910 /nfs/dbraw/zinc/34/59/10/382345910.db2.gz BBDSQWNOVWWUPL-GUTXKFCHSA-N 2 0 262.397 2.610 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000346198493 382336359 /nfs/dbraw/zinc/33/63/59/382336359.db2.gz PZNUJOXOBGMBQY-RDJZCZTQSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+](CC)CCN1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364624705 382341329 /nfs/dbraw/zinc/34/13/29/382341329.db2.gz QOIMXUHJXFOPGE-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP CSc1ccccc1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420291885 382343550 /nfs/dbraw/zinc/34/35/50/382343550.db2.gz OGTCGZOILCWRIN-TZMCWYRMSA-N 2 0 264.438 2.968 20 0 CFADRP c1ccc2[nH]c(C3CC[NH+](CC[C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420298816 382348971 /nfs/dbraw/zinc/34/89/71/382348971.db2.gz HWNCTIAQJKMRNU-CQSZACIVSA-N 2 0 298.434 2.742 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000420298538 382349059 /nfs/dbraw/zinc/34/90/59/382349059.db2.gz HPEDRHFQDIKNTG-OFQRWUPVSA-N 2 0 276.424 2.858 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420301197 382351483 /nfs/dbraw/zinc/35/14/83/382351483.db2.gz IMIBXTAOIIRWSN-HNNXBMFYSA-N 2 0 294.414 2.916 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420301476 382352337 /nfs/dbraw/zinc/35/23/37/382352337.db2.gz FATFWLHQGBRCMU-AEGPPILISA-N 2 0 276.449 2.968 20 0 CFADRP CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420304005 382353831 /nfs/dbraw/zinc/35/38/31/382353831.db2.gz IGPMBQKDULHTLI-BBWFWOEESA-N 2 0 258.409 2.808 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2OC)CC1 ZINC000420303944 382354669 /nfs/dbraw/zinc/35/46/69/382354669.db2.gz XRDAZCAEZDPURE-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420307116 382355370 /nfs/dbraw/zinc/35/53/70/382355370.db2.gz RCHAPUMPLYIKSX-RRFJBIMHSA-N 2 0 268.470 2.736 20 0 CFADRP Fc1ccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420305830 382356223 /nfs/dbraw/zinc/35/62/23/382356223.db2.gz QBBLZOGVAGTVQJ-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP c1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000420307476 382358141 /nfs/dbraw/zinc/35/81/41/382358141.db2.gz BSUYYWNZWVFLDQ-CRAIPNDOSA-N 2 0 281.403 2.760 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)C[C@H]21 ZINC000420307838 382358424 /nfs/dbraw/zinc/35/84/24/382358424.db2.gz MVECHCDLTYYSKH-LERXQTSPSA-N 2 0 299.340 2.660 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000420311118 382359838 /nfs/dbraw/zinc/35/98/38/382359838.db2.gz GURAUWCQHITGLN-WQGACYEGSA-N 2 0 262.372 2.872 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000365060528 382360542 /nfs/dbraw/zinc/36/05/42/382360542.db2.gz GQODDNLLFHEMNH-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420311326 382360548 /nfs/dbraw/zinc/36/05/48/382360548.db2.gz GVROANCDHKMCLD-RYUDHWBXSA-N 2 0 250.411 2.578 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)CC[C@@H]1CC[NH2+]C1 ZINC000420311469 382360737 /nfs/dbraw/zinc/36/07/37/382360737.db2.gz VZKXTTKPZSREKU-SFHVURJKSA-N 2 0 290.451 2.567 20 0 CFADRP CC[C@@]1(C)CC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311453 382360757 /nfs/dbraw/zinc/36/07/57/382360757.db2.gz VYWYNWNRLVYNFJ-RDJZCZTQSA-N 2 0 276.424 2.860 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000346436090 382360989 /nfs/dbraw/zinc/36/09/89/382360989.db2.gz LNFJLYDGZNESQP-KKUMJFAQSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000346436918 382361191 /nfs/dbraw/zinc/36/11/91/382361191.db2.gz FYWFOBOVJJHWAC-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420314449 382361740 /nfs/dbraw/zinc/36/17/40/382361740.db2.gz KXJABQSHRANGSR-MRXNPFEDSA-N 2 0 276.424 2.831 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420313577 382361970 /nfs/dbraw/zinc/36/19/70/382361970.db2.gz YCBWRFILZNEXFJ-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420315302 382362303 /nfs/dbraw/zinc/36/23/03/382362303.db2.gz LOJGJBVALAGANO-AWEZNQCLSA-N 2 0 280.387 2.526 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCSC(C)(C)C2)cc1 ZINC000420314118 382362497 /nfs/dbraw/zinc/36/24/97/382362497.db2.gz YUFPUSSXCCXOPG-AWEZNQCLSA-N 2 0 294.464 2.565 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420316131 382364033 /nfs/dbraw/zinc/36/40/33/382364033.db2.gz XVQWOBPDOHIQAW-WDEREUQCSA-N 2 0 286.778 2.527 20 0 CFADRP CCOc1ccccc1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420317685 382365283 /nfs/dbraw/zinc/36/52/83/382365283.db2.gz NSMXEOMEPUUTSF-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420320230 382365835 /nfs/dbraw/zinc/36/58/35/382365835.db2.gz YPJZAJXRTDLGTN-GFCCVEGCSA-N 2 0 282.815 2.909 20 0 CFADRP CCCCC[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000365248846 382366741 /nfs/dbraw/zinc/36/67/41/382366741.db2.gz GXYUZXSMFHWYAX-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2C(C)C)cc1 ZINC000420319462 382367282 /nfs/dbraw/zinc/36/72/82/382367282.db2.gz POIQVLABCVUTEK-RDJZCZTQSA-N 2 0 276.424 2.858 20 0 CFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420321988 382368272 /nfs/dbraw/zinc/36/82/72/382368272.db2.gz DORSSDGTEREUPX-MELADBBJSA-N 2 0 292.427 2.576 20 0 CFADRP Cc1nc(C)c([C@@H](C)[N@H+](C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000420323395 382368351 /nfs/dbraw/zinc/36/83/51/382368351.db2.gz UGUKLCFHXQJDRS-YPMHNXCESA-N 2 0 267.442 2.752 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)n1 ZINC000420323527 382369153 /nfs/dbraw/zinc/36/91/53/382369153.db2.gz YLPSEHOIJYCKSY-MOPGFXCFSA-N 2 0 295.430 2.873 20 0 CFADRP CC(C)CCOC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420325659 382370904 /nfs/dbraw/zinc/37/09/04/382370904.db2.gz WMVCEEWWVSAEQI-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420326453 382371457 /nfs/dbraw/zinc/37/14/57/382371457.db2.gz XLICABIGJJNTQK-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP c1csc(C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420326408 382371758 /nfs/dbraw/zinc/37/17/58/382371758.db2.gz XJZHYOSZRNBTNC-CABCVRRESA-N 2 0 294.464 2.729 20 0 CFADRP Fc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c(F)c1 ZINC000420328574 382372761 /nfs/dbraw/zinc/37/27/61/382372761.db2.gz ZZHIWJYUEQVRJZ-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000346459604 382372743 /nfs/dbraw/zinc/37/27/43/382372743.db2.gz MHDYPHGUQQXIAQ-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CC([NH3+])C1 ZINC000420329602 382373499 /nfs/dbraw/zinc/37/34/99/382373499.db2.gz KAWVECJJTZXZKE-UHFFFAOYSA-N 2 0 297.402 2.590 20 0 CFADRP C[N@H+](CCOc1cccc2ccccc21)C1CC([NH3+])C1 ZINC000420338519 382375782 /nfs/dbraw/zinc/37/57/82/382375782.db2.gz RPYJFKKRAZHVGB-UHFFFAOYSA-N 2 0 270.376 2.640 20 0 CFADRP COc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420397705 382397809 /nfs/dbraw/zinc/39/78/09/382397809.db2.gz MWCKSWDJDHNVKU-FUHWJXTLSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000107929018 542336646 /nfs/dbraw/zinc/33/66/46/542336646.db2.gz FOFCKQMRVSBRCP-NSHDSACASA-N 2 0 268.351 2.785 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000420359837 382382271 /nfs/dbraw/zinc/38/22/71/382382271.db2.gz KXNBTLKAHNDRFS-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP c1nn([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000420357997 382382407 /nfs/dbraw/zinc/38/24/07/382382407.db2.gz IOIGCZLNVSVGNP-DOTOQJQBSA-N 2 0 298.434 2.673 20 0 CFADRP CCCn1cc(C[N@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352534006 382382480 /nfs/dbraw/zinc/38/24/80/382382480.db2.gz CDBWYUUOMGZPBP-UHFFFAOYSA-N 2 0 278.444 2.634 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352533987 382382562 /nfs/dbraw/zinc/38/25/62/382382562.db2.gz BWGQAVKHASMRNS-IQIBNGDESA-N 2 0 274.408 2.912 20 0 CFADRP [NH3+]CC[C@@H]1CCCCN1Cc1ncccc1C(F)(F)F ZINC000352540169 382386024 /nfs/dbraw/zinc/38/60/24/382386024.db2.gz HUJUCJBFIULINV-NSHDSACASA-N 2 0 287.329 2.804 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420397385 382398176 /nfs/dbraw/zinc/39/81/76/382398176.db2.gz GBGVFZXUHZVLPD-JZXOWHBKSA-N 2 0 288.435 2.744 20 0 CFADRP C[C@H]1COc2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420365523 382387654 /nfs/dbraw/zinc/38/76/54/382387654.db2.gz DYGKMQJQIYYEMT-AWEZNQCLSA-N 2 0 274.408 2.659 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)ccn1 ZINC000420368473 382388684 /nfs/dbraw/zinc/38/86/84/382388684.db2.gz WYWBDBBSCVGGHB-INIZCTEOSA-N 2 0 259.397 2.608 20 0 CFADRP CCOc1cccc(C[N@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000352546166 382391314 /nfs/dbraw/zinc/39/13/14/382391314.db2.gz QRQWBWHOMCMBIN-UHFFFAOYSA-N 2 0 291.439 2.821 20 0 CFADRP COc1cc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)ccc1SC ZINC000420297512 382347498 /nfs/dbraw/zinc/34/74/98/382347498.db2.gz GAZSAAFBWMJHFH-ZDUSSCGKSA-N 2 0 294.464 2.849 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000420296465 382347652 /nfs/dbraw/zinc/34/76/52/382347652.db2.gz DQJWCBBQSSVLDC-NUJGCVRESA-N 2 0 288.435 2.756 20 0 CFADRP CCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)CC1CC1 ZINC000420296886 382347756 /nfs/dbraw/zinc/34/77/56/382347756.db2.gz CKWBPSFZPXXRJJ-MRXNPFEDSA-N 2 0 276.424 2.860 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000680470635 542327739 /nfs/dbraw/zinc/32/77/39/542327739.db2.gz KNAKYFHIFHRCGF-AAEUAGOBSA-N 2 0 281.469 2.875 20 0 CFADRP C[N@H+](Cc1ccc(OCC(F)F)cc1)CC(C)(C)C[NH3+] ZINC000346633477 382447476 /nfs/dbraw/zinc/44/74/76/382447476.db2.gz DWIBVUBYJWXIST-UHFFFAOYSA-N 2 0 286.366 2.747 20 0 CFADRP O[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305110303 382424152 /nfs/dbraw/zinc/42/41/52/382424152.db2.gz CRSHNDFURWFRQE-PBHICJAKSA-N 2 0 280.456 2.534 20 0 CFADRP CN(CC[N@@H+]1CCC[C@@H](c2nccn2C)C1)c1ccccc1 ZINC000365629541 382426642 /nfs/dbraw/zinc/42/66/42/382426642.db2.gz NACLLZQBAHVACM-MRXNPFEDSA-N 2 0 298.434 2.736 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000346598350 382430908 /nfs/dbraw/zinc/43/09/08/382430908.db2.gz JBQFPGBESHLUTP-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)[C@H](C)C1 ZINC000357997098 382401857 /nfs/dbraw/zinc/40/18/57/382401857.db2.gz USWKDULOEKBUDD-CJNGLKHVSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000420413207 382402909 /nfs/dbraw/zinc/40/29/09/382402909.db2.gz SURPPOAMSXVOSM-WMZOPIPTSA-N 2 0 290.451 2.553 20 0 CFADRP C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000420413203 382402942 /nfs/dbraw/zinc/40/29/42/382402942.db2.gz SURPPOAMSXVOSM-FUHWJXTLSA-N 2 0 290.451 2.553 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420423132 382403397 /nfs/dbraw/zinc/40/33/97/382403397.db2.gz ZXJZXQQSSILCIQ-KGLIPLIRSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000346560904 382414883 /nfs/dbraw/zinc/41/48/83/382414883.db2.gz PKVXKNTWPGBXFL-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000346573665 382420167 /nfs/dbraw/zinc/42/01/67/382420167.db2.gz PGRKJICHOUBQCI-XYPHTWIQSA-N 2 0 280.456 2.533 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168317628 322389023 /nfs/dbraw/zinc/38/90/23/322389023.db2.gz FIMGEQAWSNSXHF-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1cnc([C@H]2CCCO2)s1 ZINC000346641246 382450025 /nfs/dbraw/zinc/45/00/25/382450025.db2.gz BJYOFLZZHZMAIQ-UONOGXRCSA-N 2 0 297.468 2.800 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000305917333 382449959 /nfs/dbraw/zinc/44/99/59/382449959.db2.gz BCAFHFBLDBXFDM-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP [NH3+][C@H]1CCN(Cc2cccc(-c3ccccc3)c2)C1 ZINC000346643429 382451922 /nfs/dbraw/zinc/45/19/22/382451922.db2.gz MSMWNLWLEKPJIU-KRWDZBQOSA-N 2 0 252.361 2.887 20 0 CFADRP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000346646933 382454770 /nfs/dbraw/zinc/45/47/70/382454770.db2.gz FNLUTABXKPQJNU-UHFFFAOYSA-N 2 0 290.386 2.633 20 0 CFADRP CCN(CC)c1ncc(CN(C)CC[C@H]([NH3+])C(C)C)s1 ZINC000346660233 382459961 /nfs/dbraw/zinc/45/99/61/382459961.db2.gz AINUDFFISKLCBZ-AWEZNQCLSA-N 2 0 298.500 2.795 20 0 CFADRP COCCOc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000346677919 382468304 /nfs/dbraw/zinc/46/83/04/382468304.db2.gz LBESCKFYOSJASG-KRWDZBQOSA-N 2 0 294.439 2.517 20 0 CFADRP CC1(C[NH2+]C[C@@H]2CCC[N@@H+]2CC2CCCCC2)COC1 ZINC000352756401 382468861 /nfs/dbraw/zinc/46/88/61/382468861.db2.gz QACBABISLMTLML-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000378621480 382493151 /nfs/dbraw/zinc/49/31/51/382493151.db2.gz JMGKQNCGZIKTSD-ZLPCBKJTSA-N 2 0 290.451 2.747 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC(CC[NH2+]C)CC2)CCO1 ZINC000346694260 382477709 /nfs/dbraw/zinc/47/77/09/382477709.db2.gz TWGBLPYIFMTSHB-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC(C)(C)OCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000308539020 382477831 /nfs/dbraw/zinc/47/78/31/382477831.db2.gz HRIWXBQZSKSEDW-UHFFFAOYSA-N 2 0 291.439 2.845 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1SC ZINC000346694408 382478579 /nfs/dbraw/zinc/47/85/79/382478579.db2.gz UIZPSWGFDJLIKG-WCQYABFASA-N 2 0 280.437 2.586 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000366164266 382479017 /nfs/dbraw/zinc/47/90/17/382479017.db2.gz MWBOPXCAVDBUTG-ZWKOTPCHSA-N 2 0 293.499 2.811 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](C)CC1CCOCC1 ZINC000346695307 382480213 /nfs/dbraw/zinc/48/02/13/382480213.db2.gz ZRYONBBFLNEJGN-HOCLYGCPSA-N 2 0 270.461 2.744 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188809167 382482448 /nfs/dbraw/zinc/48/24/48/382482448.db2.gz IVXNXIZEHROUDQ-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1 ZINC000358176293 382487901 /nfs/dbraw/zinc/48/79/01/382487901.db2.gz NOMHEQAYPRRXAZ-OAGGEKHMSA-N 2 0 274.408 2.670 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000308975901 382488393 /nfs/dbraw/zinc/48/83/93/382488393.db2.gz IKBJCEZHKYTPDD-NXEZZACHSA-N 2 0 271.202 2.695 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC3CC3)C[C@@H]12 ZINC000346814596 382525611 /nfs/dbraw/zinc/52/56/11/382525611.db2.gz BUUXOZLJVGOHSI-DJIMGWMZSA-N 2 0 286.419 2.645 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000381930179 382525894 /nfs/dbraw/zinc/52/58/94/382525894.db2.gz WQUKTDAUOAXXEA-OIISXLGYSA-N 2 0 258.409 2.864 20 0 CFADRP COCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000346814219 382526165 /nfs/dbraw/zinc/52/61/65/382526165.db2.gz ACDAWLJAERLQFL-HOTGVXAUSA-N 2 0 276.424 2.696 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000358195176 382499352 /nfs/dbraw/zinc/49/93/52/382499352.db2.gz UUBNMLSKSGBVIA-TVFCKZIOSA-N 2 0 270.420 2.834 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000310936353 382499378 /nfs/dbraw/zinc/49/93/78/382499378.db2.gz UYOOUFINAHXDIG-IUODEOHRSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]c2ccccc12 ZINC000346755088 382500054 /nfs/dbraw/zinc/50/00/54/382500054.db2.gz YOPDTOYZLWEKIA-AWEZNQCLSA-N 2 0 269.392 2.943 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000311137109 382502055 /nfs/dbraw/zinc/50/20/55/382502055.db2.gz BLVNZWZTTFEZID-BFHYXJOUSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@H]1CC[N@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000311408416 382505007 /nfs/dbraw/zinc/50/50/07/382505007.db2.gz XVJAPKWDSHDHFE-HOCLYGCPSA-N 2 0 268.445 2.500 20 0 CFADRP Oc1ccccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294331739 382510532 /nfs/dbraw/zinc/51/05/32/382510532.db2.gz XVLXOQITLBJKJN-UHFFFAOYSA-N 2 0 297.402 2.588 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000380189920 382511577 /nfs/dbraw/zinc/51/15/77/382511577.db2.gz CMQAKVMBQRBYTJ-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP CN(C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1)C1CC1 ZINC000312338024 382514105 /nfs/dbraw/zinc/51/41/05/382514105.db2.gz IKMIWPGTRSVBQX-GOEBONIOSA-N 2 0 282.472 2.590 20 0 CFADRP CN(CC[NH2+][C@H]1CCCC12CCOCC2)C1CCCC1 ZINC000312316081 382514520 /nfs/dbraw/zinc/51/45/20/382514520.db2.gz BATDFJZTQBWQOP-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000366483247 382517224 /nfs/dbraw/zinc/51/72/24/382517224.db2.gz PYDKYRUSAXQKPC-BNOWGMLFSA-N 2 0 293.480 2.944 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000358236330 382519038 /nfs/dbraw/zinc/51/90/38/382519038.db2.gz ZWWFDBOFEHSRHV-RDTXWAMCSA-N 2 0 272.436 2.864 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)[C@H](C)C1 ZINC000358236609 382519384 /nfs/dbraw/zinc/51/93/84/382519384.db2.gz AKNINUUOELJNKC-NVXWUHKLSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346846546 382542701 /nfs/dbraw/zinc/54/27/01/382542701.db2.gz LLWVKEIIAXDMBE-GDBMZVCRSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346856383 382547118 /nfs/dbraw/zinc/54/71/18/382547118.db2.gz VWTSJWDZMWSERT-LJIZCISZSA-N 2 0 250.430 2.872 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000346871436 382552790 /nfs/dbraw/zinc/55/27/90/382552790.db2.gz VHYRCMYKGZHTEB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCC(C)CC1 ZINC000353500777 382553221 /nfs/dbraw/zinc/55/32/21/382553221.db2.gz XPUDZJAGZCWGQJ-XDNAFOTISA-N 3 0 293.499 2.569 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000346870433 382553227 /nfs/dbraw/zinc/55/32/27/382553227.db2.gz LZVSSFBVMQQOHZ-UHFFFAOYSA-N 2 0 264.388 2.642 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC000366903289 382553745 /nfs/dbraw/zinc/55/37/45/382553745.db2.gz OHHCUESNGYUORD-QGZVFWFLSA-N 2 0 294.483 2.735 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353494801 382553781 /nfs/dbraw/zinc/55/37/81/382553781.db2.gz FLXYJCUXLZWOIV-BRSBDYLESA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358300061 382556304 /nfs/dbraw/zinc/55/63/04/382556304.db2.gz NPPYWEYJPHSHCV-PEZLKRJXSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353514755 382557222 /nfs/dbraw/zinc/55/72/22/382557222.db2.gz CXHPGRAPSIPXKJ-IGKNDFSCSA-N 2 0 293.499 2.712 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358302464 382557458 /nfs/dbraw/zinc/55/74/58/382557458.db2.gz RAHDVWVLWCZPCB-FRRDWIJNSA-N 2 0 258.356 2.781 20 0 CFADRP CSCC1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000385273586 382568470 /nfs/dbraw/zinc/56/84/70/382568470.db2.gz YAOBAFONRWHHKD-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358326380 382570022 /nfs/dbraw/zinc/57/00/22/382570022.db2.gz GAYZWIQNFMCASU-FGTMMUONSA-N 2 0 293.499 2.571 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)C1(C)C ZINC000367439820 382570191 /nfs/dbraw/zinc/57/01/91/382570191.db2.gz XINYYSGCOVESQK-KGLIPLIRSA-N 2 0 277.412 2.513 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000367472015 382571962 /nfs/dbraw/zinc/57/19/62/382571962.db2.gz BBFVZDXSRGGDGE-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000189254071 382574373 /nfs/dbraw/zinc/57/43/73/382574373.db2.gz UZIXYGADOCNOHJ-AOTHYSKPSA-N 2 0 268.445 2.510 20 0 CFADRP CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382392339 382530754 /nfs/dbraw/zinc/53/07/54/382530754.db2.gz UWOKDQAVZPHQCZ-CZUORRHYSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000366638496 382535293 /nfs/dbraw/zinc/53/52/93/382535293.db2.gz FFAWLPZKIAHQLB-GDBMZVCRSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000353624714 382584823 /nfs/dbraw/zinc/58/48/23/382584823.db2.gz UUCHHADVCUGQNI-VQHPVUNQSA-N 2 0 294.483 2.638 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000358362178 382587874 /nfs/dbraw/zinc/58/78/74/382587874.db2.gz DTAMLXWANMQUFQ-BLLLJJGKSA-N 2 0 294.389 2.926 20 0 CFADRP CCC[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000386502408 382589835 /nfs/dbraw/zinc/58/98/35/382589835.db2.gz VWUSEAQWLBCSMU-AWEZNQCLSA-N 2 0 256.434 2.654 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386486040 382590005 /nfs/dbraw/zinc/59/00/05/382590005.db2.gz SXWUHPZWNNAELV-FQUUOJAGSA-N 2 0 256.459 2.781 20 0 CFADRP CCCc1nc2ccccc2n1C[C@H](O)C[N@H+](C)C(C)C ZINC000386713387 382591077 /nfs/dbraw/zinc/59/10/77/382591077.db2.gz QKLZYVQQRXCELP-CQSZACIVSA-N 2 0 289.423 2.690 20 0 CFADRP Fc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)c(F)c1 ZINC000346967457 382591576 /nfs/dbraw/zinc/59/15/76/382591576.db2.gz CXQUJAMTDLZSBA-UHFFFAOYSA-N 2 0 280.362 2.933 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@@H]2CCC[C@@H]21 ZINC000353645613 382591873 /nfs/dbraw/zinc/59/18/73/382591873.db2.gz PBJXIEFZFPUHRN-ATIWLJMLSA-N 2 0 294.483 2.780 20 0 CFADRP COc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(F)c1 ZINC000397241242 382632902 /nfs/dbraw/zinc/63/29/02/382632902.db2.gz LWDOCWHOZJHWQO-SCRDCRAPSA-N 2 0 280.387 2.640 20 0 CFADRP CCOC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000189345962 382595763 /nfs/dbraw/zinc/59/57/63/382595763.db2.gz YCVSPAPWULQRBK-HNNXBMFYSA-N 2 0 256.434 2.510 20 0 CFADRP C[NH+](C/C=C/C[N@@H+](C)Cc1ccccn1)Cc1ccccn1 ZINC000295238055 382596447 /nfs/dbraw/zinc/59/64/47/382596447.db2.gz XSKMYZAETGNHFG-BQYQJAHWSA-N 2 0 296.418 2.597 20 0 CFADRP COc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc(OC)c1 ZINC000387270953 382597228 /nfs/dbraw/zinc/59/72/28/382597228.db2.gz SZMDVISWBVKJKU-UHFFFAOYSA-N 2 0 294.439 2.914 20 0 CFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCCCC1 ZINC000353673516 382602429 /nfs/dbraw/zinc/60/24/29/382602429.db2.gz QGBJBNAWOLNZEH-BRSBDYLESA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccc(F)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353674593 382602562 /nfs/dbraw/zinc/60/25/62/382602562.db2.gz RUCJVWYHBINJRB-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP CCOCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000388417666 382606948 /nfs/dbraw/zinc/60/69/48/382606948.db2.gz FYDWHSYCDLYNKF-ARFHVFGLSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1nocc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295291521 382608870 /nfs/dbraw/zinc/60/88/70/382608870.db2.gz JEMLJYLIVZOOSQ-KRWDZBQOSA-N 2 0 299.418 2.937 20 0 CFADRP CCc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000392197398 382621707 /nfs/dbraw/zinc/62/17/07/382621707.db2.gz FGJRAEHHUHYOBH-UHFFFAOYSA-N 2 0 250.411 2.662 20 0 CFADRP Fc1cc(C[NH2+]C[C@@H]2CCC=CO2)ccc1-n1ccnc1 ZINC000189559311 382624738 /nfs/dbraw/zinc/62/47/38/382624738.db2.gz BEIVYXOVGPCMGU-AWEZNQCLSA-N 2 0 287.338 2.794 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000385865307 382579378 /nfs/dbraw/zinc/57/93/78/382579378.db2.gz XPHFAMFHFQNIGR-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000358345439 382580230 /nfs/dbraw/zinc/58/02/30/382580230.db2.gz ZLDCUDSKIJTBGB-IXDOHACOSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358345438 382580333 /nfs/dbraw/zinc/58/03/33/382580333.db2.gz ZLDCUDSKIJTBGB-GVDBMIGSSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1cncc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000189896873 382644288 /nfs/dbraw/zinc/64/42/88/382644288.db2.gz OXRRBFREMKWNSC-QGZVFWFLSA-N 2 0 273.424 2.840 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+]2CCC1CC2 ZINC000190279749 382660411 /nfs/dbraw/zinc/66/04/11/382660411.db2.gz GKUFNWXFQOPKNG-UHFFFAOYSA-N 2 0 253.349 2.519 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000191838344 382702885 /nfs/dbraw/zinc/70/28/85/382702885.db2.gz JRDFMBCDXFHGLH-HOCLYGCPSA-N 2 0 276.424 2.873 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000191976700 382703954 /nfs/dbraw/zinc/70/39/54/382703954.db2.gz IJWMAVHUCPPOCN-UHFFFAOYSA-N 2 0 267.376 2.712 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCCn1ccnc1 ZINC000192366403 382707773 /nfs/dbraw/zinc/70/77/73/382707773.db2.gz IUOSRXYMLADPQK-HNNXBMFYSA-N 2 0 271.364 2.646 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192691970 382711263 /nfs/dbraw/zinc/71/12/63/382711263.db2.gz YVSAZZDSPSVOOH-RHSMWYFYSA-N 2 0 273.424 2.865 20 0 CFADRP c1cn(-c2ccccc2)nc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336854467 382735765 /nfs/dbraw/zinc/73/57/65/382735765.db2.gz OXUDWAJSARXZOX-QAPCUYQASA-N 2 0 296.418 2.589 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000193007457 382714505 /nfs/dbraw/zinc/71/45/05/382714505.db2.gz SOBNYZQLBZXTTK-DLBZAZTESA-N 2 0 281.488 2.571 20 0 CFADRP Clc1csc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000193007512 382714540 /nfs/dbraw/zinc/71/45/40/382714540.db2.gz FTOYGFYRJUWURA-UHFFFAOYSA-N 2 0 288.844 2.604 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(C)COC2)C1 ZINC000336825461 382723205 /nfs/dbraw/zinc/72/32/05/382723205.db2.gz YRQKVRUUGPZMEY-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C1 ZINC000575051844 382725252 /nfs/dbraw/zinc/72/52/52/382725252.db2.gz NSZMSCZTDCYSHC-OAGGEKHMSA-N 2 0 273.424 2.743 20 0 CFADRP CSC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCC1 ZINC000193809304 382725819 /nfs/dbraw/zinc/72/58/19/382725819.db2.gz TZWGKKVJATWIHO-UHFFFAOYSA-N 2 0 256.459 2.735 20 0 CFADRP c1ccc(OCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000575181777 382730307 /nfs/dbraw/zinc/73/03/07/382730307.db2.gz ZRJGPSZJCIVKGY-QGZVFWFLSA-N 2 0 274.408 2.531 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCCOC2)C1 ZINC000336841400 382731983 /nfs/dbraw/zinc/73/19/83/382731983.db2.gz ZXEPAYRIELTANK-FGTMMUONSA-N 2 0 294.483 2.999 20 0 CFADRP C1=CO[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000193987000 382732177 /nfs/dbraw/zinc/73/21/77/382732177.db2.gz CDRUUNQMMZMWLI-HOTGVXAUSA-N 2 0 264.413 2.629 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000336845932 382733845 /nfs/dbraw/zinc/73/38/45/382733845.db2.gz GWBKILMAFMFPAM-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000191071347 382690246 /nfs/dbraw/zinc/69/02/46/382690246.db2.gz GNJQBRSPRIOQCK-AEFFLSMTSA-N 2 0 294.483 2.757 20 0 CFADRP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000194338078 382740962 /nfs/dbraw/zinc/74/09/62/382740962.db2.gz XNHQAGKPFMTHHH-ALOPSCKCSA-N 2 0 258.409 2.964 20 0 CFADRP O=C(CCC1CC[NH2+]CC1)Nc1cccc(-n2ccnc2)c1 ZINC000194588323 382749410 /nfs/dbraw/zinc/74/94/10/382749410.db2.gz NHPNZDHZQYPTKX-UHFFFAOYSA-N 2 0 298.390 2.591 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219308473 382793355 /nfs/dbraw/zinc/79/33/55/382793355.db2.gz DJXQJVONTQIUGE-CYBMUJFWSA-N 2 0 282.453 2.637 20 0 CFADRP Cc1cnc(C)nc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000577231099 382852629 /nfs/dbraw/zinc/85/26/29/382852629.db2.gz GCFWZWZSIBDRGV-GOEBONIOSA-N 2 0 286.423 2.547 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@H]21 ZINC000228476736 382846925 /nfs/dbraw/zinc/84/69/25/382846925.db2.gz FOGTWZMVRURUBO-USXIJHARSA-N 2 0 281.403 2.794 20 0 CFADRP c1cnn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000337624154 382849089 /nfs/dbraw/zinc/84/90/89/382849089.db2.gz UAAPXMZDCPBNNP-IRXDYDNUSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000220337621 382795804 /nfs/dbraw/zinc/79/58/04/382795804.db2.gz FLWAIEXGGNGGNS-ZYHUDNBSSA-N 2 0 288.313 2.754 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000220340507 382796029 /nfs/dbraw/zinc/79/60/29/382796029.db2.gz KXASHQQOSCNFEP-PWSUYJOCSA-N 2 0 288.313 2.754 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000575923799 382804036 /nfs/dbraw/zinc/80/40/36/382804036.db2.gz IJQFDPZGLDQENL-MRXNPFEDSA-N 2 0 292.448 2.531 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000337336252 382804713 /nfs/dbraw/zinc/80/47/13/382804713.db2.gz LYEMBDIFDCUINX-CQSZACIVSA-N 2 0 256.434 2.510 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000229067334 382850175 /nfs/dbraw/zinc/85/01/75/382850175.db2.gz PKDADSZNKAPJJC-FZMZJTMJSA-N 2 0 250.361 2.551 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000337381370 382812822 /nfs/dbraw/zinc/81/28/22/382812822.db2.gz DOAMSEBMHVWYPO-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@@H]1CCC[NH+](C)C1 ZINC000576413833 382822141 /nfs/dbraw/zinc/82/21/41/382822141.db2.gz KLRSZRMCUAEBKG-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)[NH+](CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000576515236 382825647 /nfs/dbraw/zinc/82/56/47/382825647.db2.gz FPBSTQDZMUTUNF-JKSUJKDBSA-N 2 0 297.487 2.519 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(C)c1O ZINC000226345003 382826800 /nfs/dbraw/zinc/82/68/00/382826800.db2.gz BFUWSJPHXZTWOA-UHFFFAOYSA-N 2 0 276.424 2.831 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000337480042 382828156 /nfs/dbraw/zinc/82/81/56/382828156.db2.gz QGNCRUIQBQIZES-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CN(Cc1ccc(F)cc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000226437817 382828739 /nfs/dbraw/zinc/82/87/39/382828739.db2.gz TZIOGMCOPYKCMS-LLVKDONJSA-N 2 0 270.779 2.911 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCC(C)(C)C2)CC1 ZINC000337484987 382829362 /nfs/dbraw/zinc/82/93/62/382829362.db2.gz XWTXMDSODYXXBQ-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC[NH+]1CCC(NCc2cc(F)ccc2C)CC1 ZINC000226506776 382829390 /nfs/dbraw/zinc/82/93/90/382829390.db2.gz FKDBZESRXZVROB-UHFFFAOYSA-N 2 0 250.361 2.708 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000227068624 382832701 /nfs/dbraw/zinc/83/27/01/382832701.db2.gz RLMKPNVQOHVIMY-RDJZCZTQSA-N 2 0 276.424 2.741 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C1 ZINC000576718098 382833688 /nfs/dbraw/zinc/83/36/88/382833688.db2.gz QWTOOHLJMSHWNN-UONOGXRCSA-N 2 0 275.371 2.709 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000576814705 382837086 /nfs/dbraw/zinc/83/70/86/382837086.db2.gz OSQFCZGRGXTBTA-HZPDHXFCSA-N 2 0 271.408 2.818 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227537833 382837755 /nfs/dbraw/zinc/83/77/55/382837755.db2.gz CPCCXTUUGUMQEN-OWCLPIDISA-N 2 0 282.391 2.532 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000576836941 382838319 /nfs/dbraw/zinc/83/83/19/382838319.db2.gz GWGVXADZVWPNSX-CVEARBPZSA-N 2 0 258.409 2.651 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337540674 382839128 /nfs/dbraw/zinc/83/91/28/382839128.db2.gz IFOQPOORDVFZID-YIYPIFLZSA-N 2 0 288.382 2.753 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337543506 382839710 /nfs/dbraw/zinc/83/97/10/382839710.db2.gz KBEBBRRXSRECSR-CHWSQXEVSA-N 2 0 276.371 2.609 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(O)(CC)CC)[C@H](C)C1 ZINC000576959130 382842831 /nfs/dbraw/zinc/84/28/31/382842831.db2.gz WOXUGOVKLULKJC-HUUCEWRRSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)CN1CC[NH+](C)CC1 ZINC000577005768 382844716 /nfs/dbraw/zinc/84/47/16/382844716.db2.gz FDVJSFCPUHJJDC-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228153091 382845306 /nfs/dbraw/zinc/84/53/06/382845306.db2.gz ZNMMHBNXFXNUHL-AAEUAGOBSA-N 2 0 258.365 2.910 20 0 CFADRP CCC(C)(C)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000441315799 382906167 /nfs/dbraw/zinc/90/61/67/382906167.db2.gz PUWCQNSNQAMENX-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493925695 382907159 /nfs/dbraw/zinc/90/71/59/382907159.db2.gz MGHUKEFQNOWUBP-YESZJQIVSA-N 2 0 288.435 2.843 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(F)c3F)C[C@@H]21 ZINC000230048278 382855251 /nfs/dbraw/zinc/85/52/51/382855251.db2.gz BRJGZHRWIYKAFY-SCDSUCTJSA-N 2 0 266.335 2.524 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3Cl)C[C@@H]21 ZINC000230048358 382855332 /nfs/dbraw/zinc/85/53/32/382855332.db2.gz OXDRUHVLLPYKHL-KCQAQPDRSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000230048337 382855405 /nfs/dbraw/zinc/85/54/05/382855405.db2.gz VRVWZVYLAUGJGU-SLEUVZQESA-N 2 0 266.335 2.524 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441347475 382909101 /nfs/dbraw/zinc/90/91/01/382909101.db2.gz PKTRNZQTHNKVBA-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000337746136 382860801 /nfs/dbraw/zinc/86/08/01/382860801.db2.gz GJOQFZREVANQAQ-GUYCJALGSA-N 2 0 294.414 2.684 20 0 CFADRP CC1(C)CCC[N@H+](CCNC2CC[NH+](CC3CC3)CC2)C1 ZINC000577575243 382863497 /nfs/dbraw/zinc/86/34/97/382863497.db2.gz GMWWWAVNBJULNX-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP CC1CC[NH+](CCN2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000577961286 382878238 /nfs/dbraw/zinc/87/82/38/382878238.db2.gz ODKMTCWCQABCDS-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC000235365987 382880060 /nfs/dbraw/zinc/88/00/60/382880060.db2.gz WYPYQHCONNWHQQ-CHWSQXEVSA-N 2 0 250.361 2.646 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000494372166 382912668 /nfs/dbraw/zinc/91/26/68/382912668.db2.gz UMIRAXPWSYAMCY-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1nc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH]c1C ZINC000578027037 382884932 /nfs/dbraw/zinc/88/49/32/382884932.db2.gz LOXDNXMYQZZSJK-CXAGYDPISA-N 2 0 298.434 2.637 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC000235697907 382885777 /nfs/dbraw/zinc/88/57/77/382885777.db2.gz WYPYQHCONNWHQQ-STQMWFEESA-N 2 0 250.361 2.646 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337986788 382889252 /nfs/dbraw/zinc/88/92/52/382889252.db2.gz ISZZWZAUZZZASY-DOTOQJQBSA-N 2 0 299.478 2.520 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990351 382890999 /nfs/dbraw/zinc/89/09/99/382890999.db2.gz CDDYPMUZQNOYHC-WBVHZDCISA-N 2 0 299.478 2.520 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337995440 382894328 /nfs/dbraw/zinc/89/43/28/382894328.db2.gz MPJTUXNJJHDZDV-HUUCEWRRSA-N 2 0 256.409 2.836 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC000338000196 382896067 /nfs/dbraw/zinc/89/60/67/382896067.db2.gz UVINZVLCCZWCSS-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccncc1Cl ZINC000421829620 382937041 /nfs/dbraw/zinc/93/70/41/382937041.db2.gz ABPKDSKTXRQPDH-NSHDSACASA-N 2 0 265.788 2.648 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000494920275 382941511 /nfs/dbraw/zinc/94/15/11/382941511.db2.gz GATWNFZGFZQOEX-XFIYOXNOSA-N 2 0 252.446 2.989 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000494926638 382942137 /nfs/dbraw/zinc/94/21/37/382942137.db2.gz VDWCXLIIXDQFCF-CKEIUWERSA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(CO)c1 ZINC000421867456 382954275 /nfs/dbraw/zinc/95/42/75/382954275.db2.gz BGDHIOABJGJDSH-NVPAJSRCSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422942916 532964486 /nfs/dbraw/zinc/96/44/86/532964486.db2.gz KYLZBBYUHUCRAH-MNOVXSKESA-N 2 0 290.329 2.800 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442784360 382956859 /nfs/dbraw/zinc/95/68/59/382956859.db2.gz VQFMSALSWRMNBA-SJPCQFCGSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC[NH2+]1 ZINC000578846517 382959859 /nfs/dbraw/zinc/95/98/59/382959859.db2.gz DJKYMAWRJBRDGB-VYDXJSESSA-N 2 0 276.399 2.945 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442871037 382962026 /nfs/dbraw/zinc/96/20/26/382962026.db2.gz AVMKYKKHRFGMKW-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000578347456 382913277 /nfs/dbraw/zinc/91/32/77/382913277.db2.gz UPLLUGGBURMJJE-NSHDSACASA-N 2 0 272.339 2.938 20 0 CFADRP Cc1ccnc(C)c1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455449095 382916467 /nfs/dbraw/zinc/91/64/67/382916467.db2.gz YKBDMCUBFSEZAV-UHFFFAOYSA-N 2 0 292.427 2.940 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000578427214 382919206 /nfs/dbraw/zinc/91/92/06/382919206.db2.gz QINGFJONUSMYQM-ZSHCYNCHSA-N 2 0 268.445 2.798 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000578453459 382923230 /nfs/dbraw/zinc/92/32/30/382923230.db2.gz TVBWDZNZDOXQJC-LVQVYYBASA-N 2 0 274.408 2.801 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccn2C)CC1 ZINC000534347220 382929097 /nfs/dbraw/zinc/92/90/97/382929097.db2.gz CMLDBMSHOVABCM-UHFFFAOYSA-N 2 0 263.429 2.577 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877595 382963471 /nfs/dbraw/zinc/96/34/71/382963471.db2.gz REJKAJSTTVYSOA-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000578976318 382971624 /nfs/dbraw/zinc/97/16/24/382971624.db2.gz DQOFWDYUOVKPGB-GFCCVEGCSA-N 2 0 275.421 2.825 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423101966 532966731 /nfs/dbraw/zinc/96/67/31/532966731.db2.gz WSCBXZNKAKVYGV-YVECIDJPSA-N 2 0 250.361 2.787 20 0 CFADRP CCC[N@H+](CCC[NH+](CC)CC)C[C@@H]1CCCCO1 ZINC000338281510 382974191 /nfs/dbraw/zinc/97/41/91/382974191.db2.gz FCDNQGABDAZROP-INIZCTEOSA-N 2 0 270.461 2.999 20 0 CFADRP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422732698 382975761 /nfs/dbraw/zinc/97/57/61/382975761.db2.gz QEKYIIGCQMWARE-HSFUPAIVSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422721855 382975820 /nfs/dbraw/zinc/97/58/20/382975820.db2.gz WEWUWKXFTNFUDC-XOSAIJSUSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422720630 382976542 /nfs/dbraw/zinc/97/65/42/382976542.db2.gz ZVGJOMNKVSDGMM-WCVJEAGWSA-N 2 0 268.445 2.831 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000579042852 382977663 /nfs/dbraw/zinc/97/76/63/382977663.db2.gz CYACOQSFHZQOGO-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422766167 382977974 /nfs/dbraw/zinc/97/79/74/382977974.db2.gz QUEXDPQUPIDLLT-OAGGEKHMSA-N 2 0 281.488 2.747 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422753058 382978361 /nfs/dbraw/zinc/97/83/61/382978361.db2.gz DHDOCJMLAMAMME-LXZKKBNFSA-N 2 0 291.414 2.512 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000422783089 382978945 /nfs/dbraw/zinc/97/89/45/382978945.db2.gz KNXYTHLLDJCEST-HUUCEWRRSA-N 2 0 250.361 2.618 20 0 CFADRP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423021753 383016715 /nfs/dbraw/zinc/01/67/15/383016715.db2.gz CTIQTRZHOVABFZ-KAKYVNGGSA-N 2 0 292.398 2.774 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422811943 382980398 /nfs/dbraw/zinc/98/03/98/382980398.db2.gz VLJVWMKFWSTMJV-MLGOLLRUSA-N 2 0 264.388 2.590 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422806959 382980450 /nfs/dbraw/zinc/98/04/50/382980450.db2.gz JCORVULMUNWAAU-OTRWWLKZSA-N 2 0 276.424 2.931 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422807421 382980525 /nfs/dbraw/zinc/98/05/25/382980525.db2.gz OVPBWOOVRZKKMO-ZMSDIMECSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000422801676 382981138 /nfs/dbraw/zinc/98/11/38/382981138.db2.gz CJSVPBZYYWVNJP-ZOBUZTSGSA-N 2 0 298.434 2.911 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C1(CC)CC ZINC000422835844 382981839 /nfs/dbraw/zinc/98/18/39/382981839.db2.gz JFQZZSYAQSQWTR-WUCCLRPBSA-N 2 0 268.445 2.830 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000422841922 382983489 /nfs/dbraw/zinc/98/34/89/382983489.db2.gz XGQBYTKJHUOXQP-XUWVNRHRSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000422882835 382985604 /nfs/dbraw/zinc/98/56/04/382985604.db2.gz BCZSQOKEOLQBCH-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@H]2CCCCO2)C[C@H]1C ZINC000338310041 382987171 /nfs/dbraw/zinc/98/71/71/382987171.db2.gz XSUMHUAUHXVVGY-IKGGRYGDSA-N 2 0 298.471 2.724 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000422906405 382987389 /nfs/dbraw/zinc/98/73/89/382987389.db2.gz VAUWKTKUAULBIJ-KFWWJZLASA-N 2 0 293.480 2.758 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919592 382988775 /nfs/dbraw/zinc/98/87/75/382988775.db2.gz KCNDWHCDSKVAHM-LVQVYYBASA-N 2 0 280.456 2.844 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccco1 ZINC000422970137 382989727 /nfs/dbraw/zinc/98/97/27/382989727.db2.gz FOROSZSYDXUBLR-HRCADAONSA-N 2 0 293.455 2.912 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[NH+](C)C ZINC000422966379 382990061 /nfs/dbraw/zinc/99/00/61/382990061.db2.gz RFSLFOBVAKDMIH-PMPSAXMXSA-N 2 0 269.477 2.602 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC=CCC1 ZINC000422973269 382990660 /nfs/dbraw/zinc/99/06/60/382990660.db2.gz OAGXTCGAPXHKPO-BHYGNILZSA-N 2 0 258.409 2.891 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CCCO)c1ccccc1 ZINC000422972829 382991423 /nfs/dbraw/zinc/99/14/23/382991423.db2.gz AMJYDUSUFMJZHI-GOEBONIOSA-N 2 0 264.413 2.607 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)CCC1 ZINC000446882734 382992484 /nfs/dbraw/zinc/99/24/84/382992484.db2.gz BMFNLOSHCMMPRJ-CQSZACIVSA-N 2 0 280.456 2.798 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422974330 382992597 /nfs/dbraw/zinc/99/25/97/382992597.db2.gz DOXAAQSTGXJOLO-ZDUSSCGKSA-N 2 0 293.455 2.831 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422974714 382992665 /nfs/dbraw/zinc/99/26/65/382992665.db2.gz RTSHYVYMSTWRQW-HUUCEWRRSA-N 2 0 299.418 2.876 20 0 CFADRP C[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000447165143 382994744 /nfs/dbraw/zinc/99/47/44/382994744.db2.gz DVLAGRRTPCZHSZ-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Nc1ccccc1 ZINC000422980561 382995167 /nfs/dbraw/zinc/99/51/67/382995167.db2.gz QJTHBQICSSTLIR-SQWLQELKSA-N 2 0 263.429 2.839 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422985861 382996854 /nfs/dbraw/zinc/99/68/54/382996854.db2.gz AQMBPCRSZLBYJM-RDJZCZTQSA-N 2 0 276.424 2.735 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000422989968 382998946 /nfs/dbraw/zinc/99/89/46/382998946.db2.gz MSOLDWWTUAIJQT-AWEZNQCLSA-N 2 0 286.423 2.788 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](C)[C@H]1OC ZINC000422993209 382999769 /nfs/dbraw/zinc/99/97/69/382999769.db2.gz RBHSTNFXAVWSRV-LXTVHRRPSA-N 2 0 270.461 2.933 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000422999051 383003365 /nfs/dbraw/zinc/00/33/65/383003365.db2.gz DNVVWETYWHVDPG-VYDXJSESSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCNc1ccccc1F ZINC000423028559 383018151 /nfs/dbraw/zinc/01/81/51/383018151.db2.gz GRXGJEPUDSESGE-UKRRQHHQSA-N 2 0 279.403 2.605 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc1 ZINC000423002485 383006101 /nfs/dbraw/zinc/00/61/01/383006101.db2.gz ZARFSJZAVUJIDZ-FGTMMUONSA-N 2 0 287.451 2.915 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423012782 383009625 /nfs/dbraw/zinc/00/96/25/383009625.db2.gz LJGMOJLVDOPMGW-VKJFTORMSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)CC[N@@H+]1C ZINC000245566677 383009732 /nfs/dbraw/zinc/00/97/32/383009732.db2.gz RFJMEKAPGXOJSW-PMPSAXMXSA-N 2 0 296.455 2.525 20 0 CFADRP CC(C)[NH+](CCCN[C@@H](C)c1c[nH+]ccc1N)C(C)C ZINC000423007932 383009725 /nfs/dbraw/zinc/00/97/25/383009725.db2.gz RVZLUCKXKMJFIB-AWEZNQCLSA-N 2 0 278.444 2.654 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)c1nc(-c2ccccc2)no1 ZINC000423008418 383009941 /nfs/dbraw/zinc/00/99/41/383009941.db2.gz ADUQAIOKFWWNAI-RWMBFGLXSA-N 2 0 288.395 2.556 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423013838 383011457 /nfs/dbraw/zinc/01/14/57/383011457.db2.gz NLLYGRUGFVDWPE-ZOBUZTSGSA-N 2 0 298.434 2.580 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H](C)CCC[NH3+])C2CC2)c1 ZINC000423013870 383011703 /nfs/dbraw/zinc/01/17/03/383011703.db2.gz NQFCDLZRGRLXGR-DYVFJYSZSA-N 2 0 276.424 2.733 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423014893 383012295 /nfs/dbraw/zinc/01/22/95/383012295.db2.gz QBICEPVILQJCMV-RDJZCZTQSA-N 2 0 275.440 2.833 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423015159 383012340 /nfs/dbraw/zinc/01/23/40/383012340.db2.gz KATQLGQCXFGLRR-XYPHTWIQSA-N 2 0 288.435 2.910 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000579408765 383012627 /nfs/dbraw/zinc/01/26/27/383012627.db2.gz PIHZJNUQLKHAMM-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cnccc1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423014892 383012830 /nfs/dbraw/zinc/01/28/30/383012830.db2.gz QBICEPVILQJCMV-NVXWUHKLSA-N 2 0 275.440 2.833 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000447823707 383012945 /nfs/dbraw/zinc/01/29/45/383012945.db2.gz XTHYUULXLPWKFW-MRXNPFEDSA-N 2 0 290.451 2.615 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423028104 383018596 /nfs/dbraw/zinc/01/85/96/383018596.db2.gz PYQBVFFZJYVBMM-YOEHRIQHSA-N 2 0 275.440 2.999 20 0 CFADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245608115 383013307 /nfs/dbraw/zinc/01/33/07/383013307.db2.gz KQVINAXQHYNZDC-HZPDHXFCSA-N 2 0 290.455 2.658 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cnn(Cc2ccccc2)c1 ZINC000423017427 383014145 /nfs/dbraw/zinc/01/41/45/383014145.db2.gz WLUWJIIHKRUNCR-SOUVJXGZSA-N 2 0 286.423 2.708 20 0 CFADRP C[C@H]([NH2+]CCC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423018762 383015005 /nfs/dbraw/zinc/01/50/05/383015005.db2.gz ZQLIOTUTCIUXSH-GUYCJALGSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797916 532966615 /nfs/dbraw/zinc/96/66/15/532966615.db2.gz PBNMFISKUGTBGJ-ZJUUUORDSA-N 2 0 276.302 2.801 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@H]2CCCCO2)[C@H](C)C1 ZINC000338273772 382971003 /nfs/dbraw/zinc/97/10/03/382971003.db2.gz HJILXYMJDAQMEQ-IKGGRYGDSA-N 2 0 298.471 2.582 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423046714 383028421 /nfs/dbraw/zinc/02/84/21/383028421.db2.gz UKLMWNLICOKMBO-VQISRLSMSA-N 2 0 297.805 2.527 20 0 CFADRP COc1ccccc1[C@H](C[NH2+][C@H](C)CCC[NH3+])OC(C)C ZINC000423046997 383028456 /nfs/dbraw/zinc/02/84/56/383028456.db2.gz FPJLMDKUYGFHGA-PBHICJAKSA-N 2 0 294.439 2.878 20 0 CFADRP C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423046743 383028537 /nfs/dbraw/zinc/02/85/37/383028537.db2.gz UMDJBGNYMAENJF-CUSZFKRNSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCO[C@@H]1C1CC1 ZINC000423051745 383031282 /nfs/dbraw/zinc/03/12/82/383031282.db2.gz OZACQOIBDYKRNJ-DUQPFJRNSA-N 2 0 292.467 2.702 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423054521 383033139 /nfs/dbraw/zinc/03/31/39/383033139.db2.gz UVNWAXQZMQLKBL-COXVUDFISA-N 2 0 274.408 2.585 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000423054770 383033284 /nfs/dbraw/zinc/03/32/84/383033284.db2.gz VCLYIPGSSGVVMS-DTWKUNHWSA-N 2 0 275.318 2.698 20 0 CFADRP c1ccc([C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423053464 383033470 /nfs/dbraw/zinc/03/34/70/383033470.db2.gz SKDMPUBITOAEGF-JILJLDPQSA-N 2 0 286.419 2.779 20 0 CFADRP CN1CC[C@H]([NH2+]CCCF)C[C@@H]1c1ccccc1 ZINC000551086151 383034555 /nfs/dbraw/zinc/03/45/55/383034555.db2.gz MOQIKZQBWGVCHB-LSDHHAIUSA-N 2 0 250.361 2.771 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000423056894 383034727 /nfs/dbraw/zinc/03/47/27/383034727.db2.gz YZSVTNNJCBAQEG-OAGGEKHMSA-N 2 0 270.461 2.935 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCS2 ZINC000423390184 383078375 /nfs/dbraw/zinc/07/83/75/383078375.db2.gz JVARSFXHVHBUIF-KCPJHIHWSA-N 2 0 292.448 2.820 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423062719 383037320 /nfs/dbraw/zinc/03/73/20/383037320.db2.gz UVBGDVKSUKVSST-GOEBONIOSA-N 2 0 275.440 2.748 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423388301 383078432 /nfs/dbraw/zinc/07/84/32/383078432.db2.gz INAFYSKYKSBYFV-XHBSWPGZSA-N 2 0 282.378 2.874 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000448022072 383039045 /nfs/dbraw/zinc/03/90/45/383039045.db2.gz MILCTSLKZFWHLK-NVXWUHKLSA-N 2 0 282.472 2.782 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000423067263 383040170 /nfs/dbraw/zinc/04/01/70/383040170.db2.gz GSBUNRTVTHTLAK-CXMPNGEBSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000423092959 383040851 /nfs/dbraw/zinc/04/08/51/383040851.db2.gz FAGUBQKJIXWILE-TYENPDHQSA-N 2 0 294.483 2.805 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000579699355 383043456 /nfs/dbraw/zinc/04/34/56/383043456.db2.gz HEFBLHCMIJXWIK-UHFFFAOYSA-N 2 0 273.424 2.610 20 0 CFADRP C[C@H]1c2c(F)cccc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000579694054 383043532 /nfs/dbraw/zinc/04/35/32/383043532.db2.gz SORNIJWCMSQYBC-QWHCGFSZSA-N 2 0 262.372 2.744 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423131807 383043938 /nfs/dbraw/zinc/04/39/38/383043938.db2.gz OLLPPHFIZGZPMH-OVYGPGRDSA-N 2 0 280.456 2.702 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)CC2)c1 ZINC000423124949 383043972 /nfs/dbraw/zinc/04/39/72/383043972.db2.gz PLPFNEZIALAKRC-PBHICJAKSA-N 2 0 288.435 2.705 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCSC1 ZINC000423135395 383044109 /nfs/dbraw/zinc/04/41/09/383044109.db2.gz XWVAZYFYXFJIBW-NUEKZKHPSA-N 2 0 278.465 2.678 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423128020 383044206 /nfs/dbraw/zinc/04/42/06/383044206.db2.gz UQTYNZUZQIWLPG-COXVUDFISA-N 2 0 275.440 2.841 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@@H](C)C3C[NH2+]C3)CC2)c(C)c1 ZINC000423142617 383044775 /nfs/dbraw/zinc/04/47/75/383044775.db2.gz AUTMKSMSRFXKHQ-AWEZNQCLSA-N 2 0 258.409 2.533 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423142447 383045192 /nfs/dbraw/zinc/04/51/92/383045192.db2.gz VFUNBAOBOKCCIJ-IRXDYDNUSA-N 2 0 258.409 2.992 20 0 CFADRP CC(C)C(C[NH2+]C1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000551576858 383046049 /nfs/dbraw/zinc/04/60/49/383046049.db2.gz UMKASHHRKPRDFB-UHFFFAOYSA-N 2 0 283.504 2.530 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245907036 383046559 /nfs/dbraw/zinc/04/65/59/383046559.db2.gz FIYMYDLKGYFUSI-BRWVUGGUSA-N 2 0 292.471 2.619 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[C@@H]1C1CC1 ZINC000423167237 383046780 /nfs/dbraw/zinc/04/67/80/383046780.db2.gz DWSWWTIEMQOPSB-ZBRFXRBCSA-N 2 0 292.467 2.559 20 0 CFADRP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423192293 383048402 /nfs/dbraw/zinc/04/84/02/383048402.db2.gz UKMQMXNXEHNINV-XPABHHOTSA-N 2 0 254.393 2.777 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423198496 383048432 /nfs/dbraw/zinc/04/84/32/383048432.db2.gz GFUDPNIVZVYZFJ-HOTGVXAUSA-N 2 0 296.842 2.629 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H](C)O1 ZINC000423196338 383048934 /nfs/dbraw/zinc/04/89/34/383048934.db2.gz ZPEAODYIHUJZST-ZNZZXWJUSA-N 2 0 260.381 2.534 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)C12CCCC2 ZINC000423186151 383049316 /nfs/dbraw/zinc/04/93/16/383049316.db2.gz WNCWXLILRYLXRS-GJZGRUSLSA-N 2 0 280.456 2.975 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237605 383051206 /nfs/dbraw/zinc/05/12/06/383051206.db2.gz QAFYLNOOPYRLRP-IRXDYDNUSA-N 2 0 260.425 2.985 20 0 CFADRP CC[NH+]1CCC([NH2+]CCC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338791292 383053431 /nfs/dbraw/zinc/05/34/31/383053431.db2.gz ZEHJMDOAEUWLCN-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000423266494 383053840 /nfs/dbraw/zinc/05/38/40/383053840.db2.gz DBUODTLYMNDDFY-BBRMVZONSA-N 2 0 264.413 2.837 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C1(C)C ZINC000423393482 383079392 /nfs/dbraw/zinc/07/93/92/383079392.db2.gz MHVCIVDEHCRZCH-CBBWQLFWSA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423275130 383055269 /nfs/dbraw/zinc/05/52/69/383055269.db2.gz MWZGDGZUPGMWQU-RCBQFDQVSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000423284107 383055576 /nfs/dbraw/zinc/05/55/76/383055576.db2.gz XSTHFOYTPTWWOK-UVBJJODRSA-N 2 0 262.372 2.920 20 0 CFADRP CC[C@H](CO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836168 383057792 /nfs/dbraw/zinc/05/77/92/383057792.db2.gz BYHHMFIULHGTGV-SJORKVTESA-N 2 0 288.435 2.544 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423392223 383079511 /nfs/dbraw/zinc/07/95/11/383079511.db2.gz LMEKXHGJZONKBK-LOUJCGABSA-N 2 0 276.424 2.775 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423350581 383059343 /nfs/dbraw/zinc/05/93/43/383059343.db2.gz ZTSGKCYWASOVRB-LBPRGKRZSA-N 2 0 262.422 2.979 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(CC)CC ZINC000423339493 383059949 /nfs/dbraw/zinc/05/99/49/383059949.db2.gz VGEGPZBXKSKDOU-CABCVRRESA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423353373 383061416 /nfs/dbraw/zinc/06/14/16/383061416.db2.gz BMCVNQHHZQYCAC-BLLLJJGKSA-N 2 0 260.381 2.510 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423354411 383061463 /nfs/dbraw/zinc/06/14/63/383061463.db2.gz CWMQXMQFWHGSDY-ILXRZTDVSA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000423368789 383067103 /nfs/dbraw/zinc/06/71/03/383067103.db2.gz DGYBKBMUFODHSO-VNHYZAJKSA-N 2 0 278.371 2.899 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423370647 383068506 /nfs/dbraw/zinc/06/85/06/383068506.db2.gz UMWRDCPNERTCOG-WMLDXEAASA-N 2 0 298.434 2.973 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)[C@H](C)C2 ZINC000423374096 383070159 /nfs/dbraw/zinc/07/01/59/383070159.db2.gz HROFGZDALRINOK-IARIHHJXSA-N 2 0 258.409 2.958 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423374314 383070213 /nfs/dbraw/zinc/07/02/13/383070213.db2.gz JTAMKZUGSJOBMU-CBBWQLFWSA-N 2 0 268.445 2.700 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423377191 383070950 /nfs/dbraw/zinc/07/09/50/383070950.db2.gz KAPNBTSYNOPKIU-DETOBHCWSA-N 2 0 288.435 2.917 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)CC[NH2+]1 ZINC000423377746 383072258 /nfs/dbraw/zinc/07/22/58/383072258.db2.gz KIQDXAKMUOMWTM-KCXAZCMYSA-N 2 0 259.397 2.653 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423029705 383019578 /nfs/dbraw/zinc/01/95/78/383019578.db2.gz VCPKMPFYHXAPIM-KBPBESRZSA-N 2 0 282.790 2.980 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423029862 383019617 /nfs/dbraw/zinc/01/96/17/383019617.db2.gz IVRHUKSPURSNSE-KDOFPFPSSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H]1C[C@H](NCc2nc(-c3ccccc3)c[nH]2)CC[N@@H+]1C ZINC000447857405 383019654 /nfs/dbraw/zinc/01/96/54/383019654.db2.gz WYBDQZYIZCBJPX-DZGCQCFKSA-N 2 0 284.407 2.649 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423029864 383019977 /nfs/dbraw/zinc/01/99/77/383019977.db2.gz IVRHUKSPURSNSE-RDTXWAMCSA-N 2 0 298.434 2.658 20 0 CFADRP CC(C)OCCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423029855 383020026 /nfs/dbraw/zinc/02/00/26/383020026.db2.gz IVMVDLSYRNJHOC-DOTOQJQBSA-N 2 0 278.440 2.740 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000423028925 383020089 /nfs/dbraw/zinc/02/00/89/383020089.db2.gz UBVVMXUQIKZBKU-DGCLKSJQSA-N 2 0 281.469 2.700 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423030088 383020229 /nfs/dbraw/zinc/02/02/29/383020229.db2.gz TUSDNROZKVVWBU-TZMCWYRMSA-N 2 0 281.831 2.636 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423032632 383021021 /nfs/dbraw/zinc/02/10/21/383021021.db2.gz FTTIQJKDBCBMNA-CABCVRRESA-N 2 0 274.408 2.586 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423032372 383021238 /nfs/dbraw/zinc/02/12/38/383021238.db2.gz MHGINBZZXZWTIE-RHSMWYFYSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423034896 383022641 /nfs/dbraw/zinc/02/26/41/383022641.db2.gz QPWITODHRBJMRZ-JOCBIADPSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423037490 383023146 /nfs/dbraw/zinc/02/31/46/383023146.db2.gz WBGURYMFNLTPOX-WCQYABFASA-N 2 0 286.341 2.754 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000245705275 383024528 /nfs/dbraw/zinc/02/45/28/383024528.db2.gz YIIOQMWVGYQLPI-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC[C@H]1CCCCO1 ZINC000423039915 383025299 /nfs/dbraw/zinc/02/52/99/383025299.db2.gz RYZZCFJEUNUUOD-JQHSSLGASA-N 2 0 290.451 2.884 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000423040545 383025659 /nfs/dbraw/zinc/02/56/59/383025659.db2.gz UMYPLULBZKYLOZ-UHFFFAOYSA-N 2 0 294.826 2.882 20 0 CFADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423041870 383025709 /nfs/dbraw/zinc/02/57/09/383025709.db2.gz XZGXHMGBMCXSHD-FGTMMUONSA-N 2 0 291.483 2.539 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000423042063 383026546 /nfs/dbraw/zinc/02/65/46/383026546.db2.gz YLBKSJCCLUAZJP-XJKSGUPXSA-N 2 0 291.439 2.849 20 0 CFADRP CC1=CC[N@H+](CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423040495 383026654 /nfs/dbraw/zinc/02/66/54/383026654.db2.gz UINOBTOZRFBDSW-OALUTQOASA-N 2 0 299.462 2.721 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000423043785 383027429 /nfs/dbraw/zinc/02/74/29/383027429.db2.gz PZODAGZFBVJACT-FZMZJTMJSA-N 2 0 266.360 2.756 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423043740 383027636 /nfs/dbraw/zinc/02/76/36/383027636.db2.gz PVNLBNJJPFAPOB-MWLCHTKSSA-N 2 0 253.415 2.546 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000423490802 383119407 /nfs/dbraw/zinc/11/94/07/383119407.db2.gz ILBHNCWIKNUFHI-DXCKQFNASA-N 2 0 274.408 2.790 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C[C@@H]1c1ccccc1 ZINC000423492735 383120132 /nfs/dbraw/zinc/12/01/32/383120132.db2.gz OLVUSICEIBDITR-GVDBMIGSSA-N 2 0 288.435 2.537 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000423492962 383120544 /nfs/dbraw/zinc/12/05/44/383120544.db2.gz PDFAPGDWWJWOLF-NOLJZWGESA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423495455 383121788 /nfs/dbraw/zinc/12/17/88/383121788.db2.gz FLMJYKQROPUJCH-KUHBDSFDSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423497761 383122255 /nfs/dbraw/zinc/12/22/55/383122255.db2.gz ZIMOHEIADJGDBP-HEHGZKQESA-N 2 0 296.842 2.800 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000423497681 383122803 /nfs/dbraw/zinc/12/28/03/383122803.db2.gz HFROOAAPEHVJKN-OIISXLGYSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000423502218 383124215 /nfs/dbraw/zinc/12/42/15/383124215.db2.gz JVIGYYCMDNURCL-DZKIICNBSA-N 2 0 298.434 2.865 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1(CC)CC ZINC000423538050 383126058 /nfs/dbraw/zinc/12/60/58/383126058.db2.gz LWVSVXVBWVUBAO-JKSUJKDBSA-N 2 0 280.456 2.870 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCCC2 ZINC000423535219 383126335 /nfs/dbraw/zinc/12/63/35/383126335.db2.gz CJJHKEDOVCOCSJ-JKSUJKDBSA-N 2 0 278.440 2.624 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423553876 383127514 /nfs/dbraw/zinc/12/75/14/383127514.db2.gz WFSZMOHUBJBIOI-ZFRZLUBXSA-N 2 0 274.383 2.791 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000247033777 383135066 /nfs/dbraw/zinc/13/50/66/383135066.db2.gz NSQKQPWTDFZXHY-QLPKVWCKSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+](Cc1ccnn1C1CCCC1)CC1CC[NH+](C)CC1 ZINC000449023732 383138723 /nfs/dbraw/zinc/13/87/23/383138723.db2.gz UGTCPSOMWZOELR-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cccc(C)c2C)CC[NH2+]CC1 ZINC000423395662 383081175 /nfs/dbraw/zinc/08/11/75/383081175.db2.gz AMMNWCDBHZNJMV-INIZCTEOSA-N 2 0 290.451 2.970 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2)[C@H](C)C1 ZINC000246572381 383082538 /nfs/dbraw/zinc/08/25/38/383082538.db2.gz YBDFDVVCKSVVLZ-VYDXJSESSA-N 2 0 276.424 2.774 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C2CC2)c1 ZINC000423402029 383083500 /nfs/dbraw/zinc/08/35/00/383083500.db2.gz REAUYZMXSTXBBG-VHSSKADRSA-N 2 0 288.435 2.604 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423402660 383083518 /nfs/dbraw/zinc/08/35/18/383083518.db2.gz ROLJVTRNTMFBPF-JQHSSLGASA-N 2 0 290.451 2.815 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423405674 383085108 /nfs/dbraw/zinc/08/51/08/383085108.db2.gz YGKRSEGXZLTHAF-SDDRHHMPSA-N 2 0 296.386 2.763 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C)C(C)C)cc1 ZINC000423407150 383085260 /nfs/dbraw/zinc/08/52/60/383085260.db2.gz VLUSLAVEQQWXFR-RRQGHBQHSA-N 2 0 276.424 2.980 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCCO[C@@H]21 ZINC000423407321 383086812 /nfs/dbraw/zinc/08/68/12/383086812.db2.gz ZVDGFJOPBVDZIN-BBWFWOEESA-N 2 0 286.419 2.583 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000423408958 383086941 /nfs/dbraw/zinc/08/69/41/383086941.db2.gz YFRUNTXPNXIKRG-JLSDUUJJSA-N 2 0 272.436 2.904 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408392 383087065 /nfs/dbraw/zinc/08/70/65/383087065.db2.gz AGZRPLCLOQJYMM-XJKSGUPXSA-N 2 0 273.424 2.652 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423420000 383089714 /nfs/dbraw/zinc/08/97/14/383089714.db2.gz BIYDDCRUZKCLTK-ZIAGYGMSSA-N 2 0 277.412 2.511 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1O ZINC000423420985 383090979 /nfs/dbraw/zinc/09/09/79/383090979.db2.gz BYLFAWXEJOQOGC-NEPJUHHUSA-N 2 0 266.385 2.569 20 0 CFADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427086 383091541 /nfs/dbraw/zinc/09/15/41/383091541.db2.gz FRPSEKWRQIESJT-ZQDZILKHSA-N 2 0 250.430 2.789 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(CC)CC ZINC000423427079 383091795 /nfs/dbraw/zinc/09/17/95/383091795.db2.gz FRHYUSAJFRMINT-HZMVEIRTSA-N 2 0 294.483 2.948 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423425876 383091876 /nfs/dbraw/zinc/09/18/76/383091876.db2.gz DNOGPOZDMQZRPW-IPMKNSEASA-N 2 0 284.447 2.985 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC000423428224 383092458 /nfs/dbraw/zinc/09/24/58/383092458.db2.gz GGYFTOLKDNMNOZ-XNJJOIOASA-N 2 0 292.398 2.873 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423430564 383093855 /nfs/dbraw/zinc/09/38/55/383093855.db2.gz LCKBWTONUWVPQM-LRDDRELGSA-N 2 0 262.397 2.877 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423430565 383093978 /nfs/dbraw/zinc/09/39/78/383093978.db2.gz LCKBWTONUWVPQM-MLGOLLRUSA-N 2 0 262.397 2.877 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C1 ZINC000423439465 383095926 /nfs/dbraw/zinc/09/59/26/383095926.db2.gz ADLQDIIISMYBSR-BARDWOONSA-N 2 0 261.413 2.742 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000423442117 383096872 /nfs/dbraw/zinc/09/68/72/383096872.db2.gz UXGXOSRFGJGSQR-DZGCQCFKSA-N 2 0 272.396 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000423442119 383097141 /nfs/dbraw/zinc/09/71/41/383097141.db2.gz UXGXOSRFGJGSQR-UKRRQHHQSA-N 2 0 272.396 2.606 20 0 CFADRP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554572844 383144216 /nfs/dbraw/zinc/14/42/16/383144216.db2.gz PFIQJDJBLRLVJV-ZIAGYGMSSA-N 2 0 288.382 2.611 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000423443883 383098186 /nfs/dbraw/zinc/09/81/86/383098186.db2.gz KXHNEGCNMVYQPM-AZHAFVHUSA-N 2 0 250.361 2.787 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423445165 383098860 /nfs/dbraw/zinc/09/88/60/383098860.db2.gz MGWZURZEPZMZSO-NDBYEHHHSA-N 2 0 250.386 2.513 20 0 CFADRP Fc1cncc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC2)c1 ZINC000423447962 383099521 /nfs/dbraw/zinc/09/95/21/383099521.db2.gz UQXOWHONSNBQMS-BBWFWOEESA-N 2 0 289.398 2.650 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423448492 383099969 /nfs/dbraw/zinc/09/99/69/383099969.db2.gz QDRGLSUTXTYDAM-WMHQRMGPSA-N 2 0 276.424 2.696 20 0 CFADRP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423454190 383101946 /nfs/dbraw/zinc/10/19/46/383101946.db2.gz LGTXAYNVMHINJT-ZUOZUFPHSA-N 2 0 290.838 2.859 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000423458001 383102925 /nfs/dbraw/zinc/10/29/25/383102925.db2.gz JKNUBANWQQXZOY-HYNPODSBSA-N 2 0 254.393 2.620 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000423456745 383103189 /nfs/dbraw/zinc/10/31/89/383103189.db2.gz OFVJMPXNPCPWGR-CHWSQXEVSA-N 2 0 264.417 2.776 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c(F)c1 ZINC000423464989 383106370 /nfs/dbraw/zinc/10/63/70/383106370.db2.gz WHOVUOCZIMKJQQ-WDEREUQCSA-N 2 0 254.349 2.612 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000423468386 383107235 /nfs/dbraw/zinc/10/72/35/383107235.db2.gz YHOWOZLXGTYSEZ-KBPBESRZSA-N 2 0 286.423 2.865 20 0 CFADRP FC(F)C1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423467588 383107347 /nfs/dbraw/zinc/10/73/47/383107347.db2.gz BKNHEYOACOEWGC-CPCZMJQVSA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423470399 383108397 /nfs/dbraw/zinc/10/83/97/383108397.db2.gz PHSLPLJZTWMIQQ-GWCFXTLKSA-N 2 0 256.340 2.613 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423473782 383109596 /nfs/dbraw/zinc/10/95/96/383109596.db2.gz ODBOKXGFPVYAGH-WCQGTBRESA-N 2 0 253.415 2.620 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423473256 383109755 /nfs/dbraw/zinc/10/97/55/383109755.db2.gz GMRRIUAASZXLKG-KBPBESRZSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423474568 383110671 /nfs/dbraw/zinc/11/06/71/383110671.db2.gz RHFWXJUDYNSLJL-CMPLNLGQSA-N 2 0 274.330 2.963 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1C ZINC000246845921 383112406 /nfs/dbraw/zinc/11/24/06/383112406.db2.gz BDXLLIIPYSWFLS-IIAWOOMASA-N 2 0 276.424 2.822 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000246847191 383112972 /nfs/dbraw/zinc/11/29/72/383112972.db2.gz CJTUBJAWKOCDAM-HIFRSBDPSA-N 2 0 260.381 2.584 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000338998757 383114293 /nfs/dbraw/zinc/11/42/93/383114293.db2.gz DHUPEOVEXHQYFA-KRWDZBQOSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@@H](C)C1 ZINC000246875440 383116422 /nfs/dbraw/zinc/11/64/22/383116422.db2.gz DSISWTKGROBMSL-BHYGNILZSA-N 2 0 276.424 2.694 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423487423 383116556 /nfs/dbraw/zinc/11/65/56/383116556.db2.gz UHWPZBZJXKLVDD-ZFWWWQNUSA-N 2 0 262.397 2.878 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc2)n1 ZINC000423487425 383117065 /nfs/dbraw/zinc/11/70/65/383117065.db2.gz UIMQOVHSDSTJBK-CVEARBPZSA-N 2 0 284.407 2.621 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000247443949 383173076 /nfs/dbraw/zinc/17/30/76/383173076.db2.gz XOGYTUZIYRDOMM-ZIAGYGMSSA-N 2 0 256.459 2.544 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449095540 383173501 /nfs/dbraw/zinc/17/35/01/383173501.db2.gz ZFJSERBLHBQWOT-UKRRQHHQSA-N 2 0 250.386 2.532 20 0 CFADRP CCc1nocc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000339172591 383174728 /nfs/dbraw/zinc/17/47/28/383174728.db2.gz XIGGNPGPSHDYAZ-UHFFFAOYSA-N 2 0 273.380 2.588 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000517395759 383180520 /nfs/dbraw/zinc/18/05/20/383180520.db2.gz OWMWFUMQDOSUOL-GFCCVEGCSA-N 2 0 266.433 2.627 20 0 CFADRP CC(C)[N@H+](C)CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424162186 383194035 /nfs/dbraw/zinc/19/40/35/383194035.db2.gz WNUZKNZMCRSLAW-MRXNPFEDSA-N 2 0 297.487 2.521 20 0 CFADRP COc1cc(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)n1 ZINC000518117811 383194320 /nfs/dbraw/zinc/19/43/20/383194320.db2.gz FZEMTPGXXKKYRS-UHFFFAOYSA-N 2 0 296.374 2.645 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)c[nH]c2c1 ZINC000566629452 383196106 /nfs/dbraw/zinc/19/61/06/383196106.db2.gz GNOIBGJPYIXAPH-GJZGRUSLSA-N 2 0 271.408 2.878 20 0 CFADRP C[C@@H](CCCC[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424179768 383199040 /nfs/dbraw/zinc/19/90/40/383199040.db2.gz UJNUNXWZVIANOU-HOCLYGCPSA-N 2 0 297.487 2.698 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283224 383203020 /nfs/dbraw/zinc/20/30/20/383203020.db2.gz BBSPAPSPDNXUEB-OAHLLOKOSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424287451 383203186 /nfs/dbraw/zinc/20/31/86/383203186.db2.gz IUBIAOAZJWVMAH-OAHLLOKOSA-N 2 0 258.409 2.959 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000424319861 383204328 /nfs/dbraw/zinc/20/43/28/383204328.db2.gz SMSLOPJEKKTKFT-GANOOXTDSA-N 2 0 280.456 2.512 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381682 383204961 /nfs/dbraw/zinc/20/49/61/383204961.db2.gz ZJFHRSSIDWSKRS-LCGIIJARSA-N 2 0 262.397 2.622 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCC2 ZINC000424378171 383205130 /nfs/dbraw/zinc/20/51/30/383205130.db2.gz SKDIQGATYPXORS-APIJFGDWSA-N 2 0 266.429 2.584 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CCC2)[C@@H](C)C1 ZINC000247138865 383147444 /nfs/dbraw/zinc/14/74/44/383147444.db2.gz WAYAHYUOOMBOBR-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000247156391 383148727 /nfs/dbraw/zinc/14/87/27/383148727.db2.gz TXKOBOVYUMTMQN-PIIMJCKOSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COC)cc2)[C@@H](C)C1 ZINC000247173000 383149698 /nfs/dbraw/zinc/14/96/98/383149698.db2.gz RFOGBFGLIGMQEG-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000247219529 383154035 /nfs/dbraw/zinc/15/40/35/383154035.db2.gz XNPCCEDWMCVNSU-BZUAXINKSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000449061056 383155959 /nfs/dbraw/zinc/15/59/59/383155959.db2.gz HLHSCFIQBFPSAC-OAHLLOKOSA-N 2 0 264.413 2.922 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000422939342 532974556 /nfs/dbraw/zinc/97/45/56/532974556.db2.gz RCLMSMVPCPYNTA-CZUORRHYSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512947 296343103 /nfs/dbraw/zinc/34/31/03/296343103.db2.gz UTPFUNVAKBAZFP-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000449082692 383167471 /nfs/dbraw/zinc/16/74/71/383167471.db2.gz PBOAPCMWIGOTEK-QLFBSQMISA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055220 296343205 /nfs/dbraw/zinc/34/32/05/296343205.db2.gz AYNJOGOYQCZINZ-PMPSAXMXSA-N 2 0 268.445 2.643 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449382707 383251079 /nfs/dbraw/zinc/25/10/79/383251079.db2.gz YABCZZXFCKASOI-GFCCVEGCSA-N 2 0 296.377 2.806 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000567234904 383253878 /nfs/dbraw/zinc/25/38/78/383253878.db2.gz QKODAVDJOWVMFS-ZJUUUORDSA-N 2 0 294.349 2.570 20 0 CFADRP CC1=CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000520625734 383268166 /nfs/dbraw/zinc/26/81/66/383268166.db2.gz ATCXCGGRAJBJRT-HZPDHXFCSA-N 2 0 278.440 2.576 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000567462465 383277248 /nfs/dbraw/zinc/27/72/48/383277248.db2.gz ABILQWTVXNWYOP-QMTHXVAHSA-N 2 0 252.789 2.772 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000567462594 383277833 /nfs/dbraw/zinc/27/78/33/383277833.db2.gz RPLDAUBFHFHLBR-HNNXBMFYSA-N 2 0 250.361 2.791 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155040 383215414 /nfs/dbraw/zinc/21/54/14/383215414.db2.gz RFROGETULYGZRZ-FUHWJXTLSA-N 2 0 287.451 2.669 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000566833302 383215415 /nfs/dbraw/zinc/21/54/15/383215415.db2.gz WPBJQZZTEQGTFE-ZFWWWQNUSA-N 2 0 264.438 2.707 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000566850591 383218123 /nfs/dbraw/zinc/21/81/23/383218123.db2.gz JHFAXXCPTIPISL-YJBOKZPZSA-N 2 0 290.451 2.613 20 0 CFADRP COc1cc(C)nc(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000339500661 383218555 /nfs/dbraw/zinc/21/85/55/383218555.db2.gz CFCFBJMJZDKSIK-UHFFFAOYSA-N 2 0 291.439 2.754 20 0 CFADRP Cc1ccc([C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000566915966 383225200 /nfs/dbraw/zinc/22/52/00/383225200.db2.gz RBBRUVNMRWITFM-SJORKVTESA-N 2 0 258.409 2.784 20 0 CFADRP CSC1(C[NH2+]Cc2csc(C)c2)CC[NH+](C)CC1 ZINC000449338072 383226675 /nfs/dbraw/zinc/22/66/75/383226675.db2.gz RKTAGNHSPPFNLM-UHFFFAOYSA-N 2 0 284.494 2.974 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000567074051 383239415 /nfs/dbraw/zinc/23/94/15/383239415.db2.gz FIJRIOWYEYPHGL-SJLPKXTDSA-N 2 0 290.451 2.617 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000248433583 383242042 /nfs/dbraw/zinc/24/20/42/383242042.db2.gz DGQFVOCOMVVRSY-DYVFJYSZSA-N 2 0 289.423 2.780 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000634732466 383333714 /nfs/dbraw/zinc/33/37/14/383333714.db2.gz HFPVMRQONVQNRF-INIZCTEOSA-N 2 0 298.434 2.740 20 0 CFADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000248737124 383286440 /nfs/dbraw/zinc/28/64/40/383286440.db2.gz HNAZTRWMTGSWOY-DZJNRPSUSA-N 2 0 288.435 2.979 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449428953 383288973 /nfs/dbraw/zinc/28/89/73/383288973.db2.gz SAMLFERIDLDFIK-MRXNPFEDSA-N 2 0 268.364 2.560 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000449428952 383289572 /nfs/dbraw/zinc/28/95/72/383289572.db2.gz SAMLFERIDLDFIK-INIZCTEOSA-N 2 0 268.364 2.560 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248824750 383293824 /nfs/dbraw/zinc/29/38/24/383293824.db2.gz ZRYOTAJGHKSUOR-VVLHAWIVSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000459734321 383295902 /nfs/dbraw/zinc/29/59/02/383295902.db2.gz GZJYBUSUVRKJRY-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000567638999 383296576 /nfs/dbraw/zinc/29/65/76/383296576.db2.gz GWVRIDZXSOYBMJ-KGLIPLIRSA-N 2 0 276.424 2.776 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459776770 383297053 /nfs/dbraw/zinc/29/70/53/383297053.db2.gz XVOLLAMRQMWRDG-HZSPNIEDSA-N 2 0 270.461 2.898 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000567654838 383298219 /nfs/dbraw/zinc/29/82/19/383298219.db2.gz NWIRXDPZDQDKFO-WFASDCNBSA-N 2 0 262.397 2.790 20 0 CFADRP COCC1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459789176 383298451 /nfs/dbraw/zinc/29/84/51/383298451.db2.gz QGBMGEBYPDTXHO-FHERZECASA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(C)o1 ZINC000567645874 383298708 /nfs/dbraw/zinc/29/87/08/383298708.db2.gz HPZSMGLJXOXKSF-WFASDCNBSA-N 2 0 279.428 2.734 20 0 CFADRP CC/C=C/C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000449455292 383303408 /nfs/dbraw/zinc/30/34/08/383303408.db2.gz LDVBRAFCWCHCGL-VMPITWQZSA-N 2 0 287.451 2.884 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634680372 383309983 /nfs/dbraw/zinc/30/99/83/383309983.db2.gz QSEZHCKMZJQTEB-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1 ZINC000422729895 532977991 /nfs/dbraw/zinc/97/79/91/532977991.db2.gz LENIRMMZMVGDNJ-RDTXWAMCSA-N 2 0 286.394 2.916 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634688403 383320157 /nfs/dbraw/zinc/32/01/57/383320157.db2.gz REIIGVHZITWHRS-UHFFFAOYSA-N 2 0 255.365 2.548 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000249056798 383322413 /nfs/dbraw/zinc/32/24/13/383322413.db2.gz YVSAZZDSPSVOOH-PBHICJAKSA-N 2 0 273.424 2.865 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000249088769 383325558 /nfs/dbraw/zinc/32/55/58/383325558.db2.gz JXXQNYQGYOVIQI-CGTJXYLNSA-N 2 0 288.435 2.523 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000450267440 383388444 /nfs/dbraw/zinc/38/84/44/383388444.db2.gz XCQSCHDCJCJIIV-ROUUACIJSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340262906 383395651 /nfs/dbraw/zinc/39/56/51/383395651.db2.gz ZQWJXSOOLAKYED-MRXNPFEDSA-N 2 0 282.472 2.902 20 0 CFADRP CCSCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000525126578 383395835 /nfs/dbraw/zinc/39/58/35/383395835.db2.gz FHHLLMMEWLTTGQ-UHFFFAOYSA-N 2 0 258.475 2.792 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340285219 383404394 /nfs/dbraw/zinc/40/43/94/383404394.db2.gz NZMCRAGOVIDBTE-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CC1([NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]CC1 ZINC000568052525 383350079 /nfs/dbraw/zinc/35/00/79/383350079.db2.gz YOJYBCLRDFVAIQ-UHFFFAOYSA-N 2 0 254.324 2.856 20 0 CFADRP Cc1cc(C)n(CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000568123777 383360973 /nfs/dbraw/zinc/36/09/73/383360973.db2.gz UEBTYGKHOHKXCN-UHFFFAOYSA-N 2 0 292.471 2.552 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340177911 383370843 /nfs/dbraw/zinc/37/08/43/383370843.db2.gz VUESJSYJJQHLEW-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)CCc1ccccc1 ZINC000469996042 383374281 /nfs/dbraw/zinc/37/42/81/383374281.db2.gz IIIOYTGYLFQKQG-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000425362684 383376455 /nfs/dbraw/zinc/37/64/55/383376455.db2.gz VNNIMHWVOSFCOA-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@H]1SC ZINC000425353915 383376621 /nfs/dbraw/zinc/37/66/21/383376621.db2.gz NMWZISGMSQGXFD-MELADBBJSA-N 2 0 258.475 2.981 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250585863 383377963 /nfs/dbraw/zinc/37/79/63/383377963.db2.gz XUEYCLFIVDFSFW-GVDBMIGSSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1ncncc1[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000568236857 383379240 /nfs/dbraw/zinc/37/92/40/383379240.db2.gz WVDLAWXPIIBCAA-UONOGXRCSA-N 2 0 276.428 2.700 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248549 383381612 /nfs/dbraw/zinc/38/16/12/383381612.db2.gz ULLVPAQQFWNMKZ-VNHYZAJKSA-N 2 0 260.381 2.678 20 0 CFADRP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)COC1CCCCC1 ZINC000250942237 383383244 /nfs/dbraw/zinc/38/32/44/383383244.db2.gz ZSVLQTLQNPXEKF-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000251065060 383384366 /nfs/dbraw/zinc/38/43/66/383384366.db2.gz IJZLFNVDAHADJG-KBPBESRZSA-N 2 0 292.423 2.571 20 0 CFADRP CCOC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CCCC1 ZINC000340461126 383425916 /nfs/dbraw/zinc/42/59/16/383425916.db2.gz DQYXMAXIWFBYQQ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252674129 383426122 /nfs/dbraw/zinc/42/61/22/383426122.db2.gz PDSNEMZUVHSVSH-HOTGVXAUSA-N 2 0 274.408 2.802 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000252667597 383426491 /nfs/dbraw/zinc/42/64/91/383426491.db2.gz LZDVFCPCIRPQEF-GJZGRUSLSA-N 2 0 269.392 2.884 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000252667596 383426630 /nfs/dbraw/zinc/42/66/30/383426630.db2.gz LZDVFCPCIRPQEF-CABCVRRESA-N 2 0 269.392 2.884 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340475309 383434672 /nfs/dbraw/zinc/43/46/72/383434672.db2.gz YBPLMPAXFQUJCY-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)C1 ZINC000568768437 383435812 /nfs/dbraw/zinc/43/58/12/383435812.db2.gz SLKUXRQRVURVRE-HUUCEWRRSA-N 2 0 274.408 2.977 20 0 CFADRP COC1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000340476456 383436284 /nfs/dbraw/zinc/43/62/84/383436284.db2.gz QHVGQFWZFMDAFC-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H](O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494802 383436413 /nfs/dbraw/zinc/43/64/13/383436413.db2.gz OXLDCOYIFKVEMP-JKSUJKDBSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCCN1CC2CCC1(C[NH3+])CC2 ZINC000569239395 383481350 /nfs/dbraw/zinc/48/13/50/383481350.db2.gz XBODUJSAHZSMFE-SOEBMCCKSA-N 2 0 280.456 2.785 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252846405 383437626 /nfs/dbraw/zinc/43/76/26/383437626.db2.gz FNNOMFFWFLHRPV-CSFVBSKPSA-N 2 0 274.408 2.815 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000252891713 383438913 /nfs/dbraw/zinc/43/89/13/383438913.db2.gz LIGJRGUWLZWOMP-SMDDNHRTSA-N 2 0 252.789 2.770 20 0 CFADRP C[C@H]1CCCC[C@H]1OCCN1CC2CCC1(C[NH3+])CC2 ZINC000569239393 383481598 /nfs/dbraw/zinc/48/15/98/383481598.db2.gz XBODUJSAHZSMFE-ORBLRFAASA-N 2 0 280.456 2.785 20 0 CFADRP COC1(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCCCC1 ZINC000483297131 383445123 /nfs/dbraw/zinc/44/51/23/383445123.db2.gz SADZTAYXQJVREN-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000568868824 383445376 /nfs/dbraw/zinc/44/53/76/383445376.db2.gz QOGUDLCZZJDMHJ-CQSZACIVSA-N 2 0 266.335 2.541 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1SC ZINC000568882849 383446327 /nfs/dbraw/zinc/44/63/27/383446327.db2.gz HGEJLNIMMJFYFX-QWRGUYRKSA-N 2 0 268.426 2.633 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253185314 383447142 /nfs/dbraw/zinc/44/71/42/383447142.db2.gz IADHGNVNFQOKAA-YRGRVCCFSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccncc1F ZINC000340509624 383448628 /nfs/dbraw/zinc/44/86/28/383448628.db2.gz YISYJOHFKFYWHN-GFCCVEGCSA-N 2 0 277.387 2.746 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CNC[C@H](C[NH3+])C(C)C)cc1 ZINC000634995002 383450805 /nfs/dbraw/zinc/45/08/05/383450805.db2.gz RRGNFQOOFOGFSK-DLBZAZTESA-N 2 0 277.456 2.630 20 0 CFADRP CC(C)(C[NH2+]CC12CC(C1)C[NH2+]2)Cc1ccccc1 ZINC000634995916 383450898 /nfs/dbraw/zinc/45/08/98/383450898.db2.gz SXXXUVPXQPGRQC-UHFFFAOYSA-N 2 0 258.409 2.597 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000634998657 383453943 /nfs/dbraw/zinc/45/39/43/383453943.db2.gz JDLDLSVHCAXERK-IRXDYDNUSA-N 3 0 293.499 2.715 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000568974415 383455027 /nfs/dbraw/zinc/45/50/27/383455027.db2.gz QMBKJTHIDKXHHC-MAUKXSAKSA-N 2 0 290.451 2.994 20 0 CFADRP COc1ccc2cc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)ccc2c1 ZINC000634999844 383457063 /nfs/dbraw/zinc/45/70/63/383457063.db2.gz ANGQOFMWICRAET-SUMWQHHRSA-N 2 0 284.403 2.875 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1nc2ccccc2n1C ZINC000635003771 383459190 /nfs/dbraw/zinc/45/91/90/383459190.db2.gz BLUCHEBOUTWXMF-IHRRRGAJSA-N 2 0 286.423 2.741 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccnc1 ZINC000635005389 383461825 /nfs/dbraw/zinc/46/18/25/383461825.db2.gz MUFDYPQSPRYGHS-BPUTZDHNSA-N 2 0 261.413 2.886 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cnn1C(C)C ZINC000635005513 383462456 /nfs/dbraw/zinc/46/24/56/383462456.db2.gz OEQROFJGCDOQBK-BPLDGKMQSA-N 2 0 278.444 2.941 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000635006394 383462990 /nfs/dbraw/zinc/46/29/90/383462990.db2.gz MLGVENKORABHRB-XHBSWPGZSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635006535 383463609 /nfs/dbraw/zinc/46/36/09/383463609.db2.gz YZASOHLVIGWBEU-PKFCDNJMSA-N 2 0 288.794 2.618 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635008191 383464162 /nfs/dbraw/zinc/46/41/62/383464162.db2.gz RAOQKQJKFKOXNM-YHUYYLMFSA-N 2 0 285.435 2.564 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008081 383464264 /nfs/dbraw/zinc/46/42/64/383464264.db2.gz ZBIUPEJLFYNGPG-VGWMRTNUSA-N 2 0 290.455 2.553 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635009813 383465290 /nfs/dbraw/zinc/46/52/90/383465290.db2.gz WKBUHHIFNUCDMJ-PBHICJAKSA-N 2 0 272.392 2.760 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)c(C)n1 ZINC000635009093 383465501 /nfs/dbraw/zinc/46/55/01/383465501.db2.gz SXRJZGVJLMCMBJ-GUYCJALGSA-N 2 0 298.434 2.704 20 0 CFADRP Cc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635009026 383465590 /nfs/dbraw/zinc/46/55/90/383465590.db2.gz LQFPTWDIGZLASJ-OAHLLOKOSA-N 2 0 296.418 2.973 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccoc1 ZINC000635009462 383465616 /nfs/dbraw/zinc/46/56/16/383465616.db2.gz VMYGGSWRUYPVNJ-BBRMVZONSA-N 2 0 258.365 2.890 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485697875 383465869 /nfs/dbraw/zinc/46/58/69/383465869.db2.gz UAXDEWYAHTWDFO-XBFCOCLRSA-N 2 0 286.341 2.872 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000485697872 383466436 /nfs/dbraw/zinc/46/64/36/383466436.db2.gz UAXDEWYAHTWDFO-KWCYVHTRSA-N 2 0 286.341 2.872 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635010619 383466584 /nfs/dbraw/zinc/46/65/84/383466584.db2.gz ASNNGIVGAUXLAE-IUODEOHRSA-N 2 0 257.381 2.775 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010089 383466658 /nfs/dbraw/zinc/46/66/58/383466658.db2.gz YEPMDJDKDQJDIZ-MAUKXSAKSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635010091 383467194 /nfs/dbraw/zinc/46/71/94/383467194.db2.gz YEPMDJDKDQJDIZ-YJBOKZPZSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccs1 ZINC000635011318 383467384 /nfs/dbraw/zinc/46/73/84/383467384.db2.gz ZJBPGXYURDIYRW-GFCCVEGCSA-N 2 0 288.420 2.726 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012477 383467646 /nfs/dbraw/zinc/46/76/46/383467646.db2.gz VDCGZMFFSZUUEM-AWEZNQCLSA-N 2 0 288.435 2.627 20 0 CFADRP CC[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000635012232 383467660 /nfs/dbraw/zinc/46/76/60/383467660.db2.gz JVPGVVACKPMLPQ-PMPSAXMXSA-N 2 0 280.456 2.846 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000635011663 383468195 /nfs/dbraw/zinc/46/81/95/383468195.db2.gz OOPINXMLUWPKMU-LSDHHAIUSA-N 2 0 273.424 2.827 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)C1 ZINC000635013112 383469690 /nfs/dbraw/zinc/46/96/90/383469690.db2.gz QOZRIMPOUZAJTI-RBSFLKMASA-N 2 0 266.429 2.585 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013521 383469800 /nfs/dbraw/zinc/46/98/00/383469800.db2.gz YYJHYISEOHJDNO-KBPBESRZSA-N 2 0 264.413 2.969 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635012849 383469837 /nfs/dbraw/zinc/46/98/37/383469837.db2.gz AGTPDBUASVUXGT-DZKIICNBSA-N 2 0 296.842 2.523 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000635013731 383470722 /nfs/dbraw/zinc/47/07/22/383470722.db2.gz VMOUTRHOQSGNAG-BPLDGKMQSA-N 2 0 269.392 2.646 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC(CC[NH+](C)C)CC2)o1 ZINC000428438798 383472308 /nfs/dbraw/zinc/47/23/08/383472308.db2.gz ASZSGROGZZEYEQ-UHFFFAOYSA-N 2 0 279.428 2.709 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000635022011 383473804 /nfs/dbraw/zinc/47/38/04/383473804.db2.gz QQPKWYDBSYNMHD-BZUAXINKSA-N 2 0 294.464 2.612 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC12CCC(CC1)C2 ZINC000450594651 383474392 /nfs/dbraw/zinc/47/43/92/383474392.db2.gz CWVWAGYBWQEDLL-FQBRJNOBSA-N 2 0 292.467 2.750 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450461733 383419421 /nfs/dbraw/zinc/41/94/21/383419421.db2.gz XDPAVHIWVXBFFZ-ROUUACIJSA-N 2 0 295.515 2.913 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000480604807 383419688 /nfs/dbraw/zinc/41/96/88/383419688.db2.gz DNVIZTMLUWAQEN-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000450463057 383421184 /nfs/dbraw/zinc/42/11/84/383421184.db2.gz LVEIJGMFJZYQMT-LBPRGKRZSA-N 2 0 260.372 2.695 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccon2)C1 ZINC000634952553 383421267 /nfs/dbraw/zinc/42/12/67/383421267.db2.gz BZTCYHBPFFSFMP-OKILXGFUSA-N 2 0 265.401 2.522 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)Cc2cccc(N)c2)CC1 ZINC000261749808 383552673 /nfs/dbraw/zinc/55/26/73/383552673.db2.gz WDKUBLMCVKFEEY-UHFFFAOYSA-N 2 0 261.413 2.575 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000428572918 383492606 /nfs/dbraw/zinc/49/26/06/383492606.db2.gz LHDAPBQZSDCXME-KBPBESRZSA-N 2 0 289.423 2.607 20 0 CFADRP COc1cc(CN2CC[C@](C)(C[NH3+])C2)cc(Cl)c1OC ZINC000261735476 383550114 /nfs/dbraw/zinc/55/01/14/383550114.db2.gz KEEROBLLDUKWNK-OAHLLOKOSA-N 2 0 298.814 2.528 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000257708621 383497991 /nfs/dbraw/zinc/49/79/91/383497991.db2.gz SDUNFKFLHJWSJR-KRWDZBQOSA-N 2 0 258.409 2.613 20 0 CFADRP C[N@H+](Cc1cnc2ccccc2c1)CC(C)(C)C[NH3+] ZINC000261559135 383512063 /nfs/dbraw/zinc/51/20/63/383512063.db2.gz OUTKWAJPAPBADA-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@H]21 ZINC000261563250 383513057 /nfs/dbraw/zinc/51/30/57/383513057.db2.gz WWGZRLQISOMSEH-CKYFFXLPSA-N 2 0 270.829 2.961 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCCCO2)c2ccccc21 ZINC000261569320 383515043 /nfs/dbraw/zinc/51/50/43/383515043.db2.gz MKMIQVZVMLTXQR-WQVCFCJDSA-N 2 0 260.381 2.680 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000261571575 383516224 /nfs/dbraw/zinc/51/62/24/383516224.db2.gz HOCCTAHOHHDKCA-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1cccc(Cl)c1 ZINC000261584493 383520902 /nfs/dbraw/zinc/52/09/02/383520902.db2.gz SJPLOQKBGGCUOX-CQSZACIVSA-N 2 0 270.804 2.682 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528400649 383521066 /nfs/dbraw/zinc/52/10/66/383521066.db2.gz PQEOJUMZAAJSJY-BLXFFLACSA-N 2 0 274.836 2.562 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC000528403205 383522959 /nfs/dbraw/zinc/52/29/59/383522959.db2.gz CEXGMIIPAZOXEI-GJZGRUSLSA-N 2 0 250.430 2.839 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000488342981 383524098 /nfs/dbraw/zinc/52/40/98/383524098.db2.gz FCHXBFUDPJZLRA-WBVHZDCISA-N 2 0 282.472 2.713 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261596742 383524880 /nfs/dbraw/zinc/52/48/80/383524880.db2.gz QIWIDOVHRBAHIS-XJKSGUPXSA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]21 ZINC000261597335 383525560 /nfs/dbraw/zinc/52/55/60/383525560.db2.gz NVKYDRRGXORIBB-YESZJQIVSA-N 2 0 281.403 2.794 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000429585288 383551518 /nfs/dbraw/zinc/55/15/18/383551518.db2.gz IYNIMDKXGWCKOT-AVGNSLFASA-N 2 0 275.396 2.518 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000429589138 383551700 /nfs/dbraw/zinc/55/17/00/383551700.db2.gz MEYBJDRTCYCMNK-GDZNZVCISA-N 2 0 297.402 2.981 20 0 CFADRP CC(C)N1CCCC[C@H]1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000450877705 383531796 /nfs/dbraw/zinc/53/17/96/383531796.db2.gz HPZGHLJKOPJKFF-ULQDDVLXSA-N 2 0 282.472 2.875 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488417866 383533807 /nfs/dbraw/zinc/53/38/07/383533807.db2.gz SFJVRZWMLGVLJU-AGIUHOORSA-N 2 0 258.475 2.836 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488431127 383536537 /nfs/dbraw/zinc/53/65/37/383536537.db2.gz NZCPGAIMKWOIQJ-QKPAOTATSA-N 2 0 252.446 2.990 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc3c2NCC3)CC1 ZINC000261650395 383537629 /nfs/dbraw/zinc/53/76/29/383537629.db2.gz BARFXIORGMFSMP-INIZCTEOSA-N 2 0 273.424 2.571 20 0 CFADRP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261656053 383538482 /nfs/dbraw/zinc/53/84/82/383538482.db2.gz YPPMUAVUTYCGLT-IAGOWNOFSA-N 2 0 256.393 2.748 20 0 CFADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000569936937 383552245 /nfs/dbraw/zinc/55/22/45/383552245.db2.gz DRVSBQKEVLPVGB-AEFFLSMTSA-N 2 0 292.467 2.937 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000341043544 383542098 /nfs/dbraw/zinc/54/20/98/383542098.db2.gz RTSPRZCJBZTAPP-MSOLQXFVSA-N 2 0 290.451 2.820 20 0 CFADRP CC[N@H+](Cc1cccc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261902686 383578036 /nfs/dbraw/zinc/57/80/36/383578036.db2.gz WGUNKUHJNZFKMK-HNNXBMFYSA-N 2 0 250.361 2.647 20 0 CFADRP Cc1nc(C)c([C@@H](C)N(C)C[C@]2(C)CC[NH2+]C2)s1 ZINC000261904902 383578195 /nfs/dbraw/zinc/57/81/95/383578195.db2.gz WTPFUGMNSHXPHC-BXUZGUMPSA-N 2 0 267.442 2.752 20 0 CFADRP C[C@H]1CCC[C@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000341134692 383579530 /nfs/dbraw/zinc/57/95/30/383579530.db2.gz XRLJADLKFCMADB-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP c1c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[nH]nc1-c1ccccc1 ZINC000570183284 383580015 /nfs/dbraw/zinc/58/00/15/383580015.db2.gz KIJYPIBCUAHSRN-FUHWJXTLSA-N 2 0 296.418 2.554 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ncc(C(C)(C)C)s1 ZINC000261920467 383580714 /nfs/dbraw/zinc/58/07/14/383580714.db2.gz KJKUSUOWVHCXGY-QWRGUYRKSA-N 2 0 267.442 2.610 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261954136 383585241 /nfs/dbraw/zinc/58/52/41/383585241.db2.gz OKZLPDBLWKPFTP-RYUDHWBXSA-N 2 0 250.361 2.557 20 0 CFADRP C[C@]1(C[NH+]2CCC(COc3ccccc3)CC2)CC[NH2+]C1 ZINC000261957110 383585273 /nfs/dbraw/zinc/58/52/73/383585273.db2.gz GUURKZVNXQFKCV-SFHVURJKSA-N 2 0 288.435 2.777 20 0 CFADRP COc1cccc(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261952909 383586294 /nfs/dbraw/zinc/58/62/94/383586294.db2.gz GENIPLQYAHBOHI-GOSISDBHSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](C[NH3+])C1CCCCC1 ZINC000570262196 383587224 /nfs/dbraw/zinc/58/72/24/383587224.db2.gz RMGDWNZYQRKVBA-DJIMGWMZSA-N 2 0 281.488 2.794 20 0 CFADRP CCc1cc(NC[C@@H](C)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000488976821 383588368 /nfs/dbraw/zinc/58/83/68/383588368.db2.gz CZSUVXBKGAWCLZ-CYBMUJFWSA-N 2 0 271.408 2.829 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261991332 383591255 /nfs/dbraw/zinc/59/12/55/383591255.db2.gz SKHIDBIFIGMUOB-BXUZGUMPSA-N 2 0 282.815 2.908 20 0 CFADRP C[C@]1(C[NH+]2CCC(c3ccsc3)CC2)CC[NH2+]C1 ZINC000262016565 383594337 /nfs/dbraw/zinc/59/43/37/383594337.db2.gz MURNRSDRHFMLLJ-HNNXBMFYSA-N 2 0 264.438 2.927 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOC1CCCCCC1 ZINC000430579016 383594962 /nfs/dbraw/zinc/59/49/62/383594962.db2.gz ZYDLEHNITQDDSO-OAHLLOKOSA-N 2 0 256.434 2.689 20 0 CFADRP COc1cccc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000262050256 383600054 /nfs/dbraw/zinc/60/00/54/383600054.db2.gz ZMAVSGIDWRYCLG-HNNXBMFYSA-N 2 0 288.435 2.874 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000262050227 383600159 /nfs/dbraw/zinc/60/01/59/383600159.db2.gz ZLGXBYWAQNODKN-CYBMUJFWSA-N 2 0 264.388 2.861 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262131868 383606931 /nfs/dbraw/zinc/60/69/31/383606931.db2.gz YGOOUKDKNAGKLA-AEFFLSMTSA-N 2 0 288.435 2.702 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000261762651 383555005 /nfs/dbraw/zinc/55/50/05/383555005.db2.gz DBHCFQIHZSRQNB-LBPRGKRZSA-N 2 0 280.387 2.784 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000569957505 383555402 /nfs/dbraw/zinc/55/54/02/383555402.db2.gz FGQHBOOTLKTLMY-FHERZECASA-N 2 0 281.488 2.617 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261770857 383557051 /nfs/dbraw/zinc/55/70/51/383557051.db2.gz MOOZYKQIJAJXJA-IAGOWNOFSA-N 2 0 274.408 2.832 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)cc1F ZINC000261792168 383561975 /nfs/dbraw/zinc/56/19/75/383561975.db2.gz GEPIQIQILIEPBI-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261805760 383564340 /nfs/dbraw/zinc/56/43/40/383564340.db2.gz HIQPIKUFIHEMPZ-CJNGLKHVSA-N 2 0 274.408 2.645 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)ccc2O1 ZINC000261822205 383566539 /nfs/dbraw/zinc/56/65/39/383566539.db2.gz YAJBGNURHPNIIA-KRWDZBQOSA-N 2 0 274.408 2.571 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000570054910 383566967 /nfs/dbraw/zinc/56/69/67/383566967.db2.gz DLSSJUPIFRXUQM-TZMCWYRMSA-N 2 0 282.815 2.921 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000261850647 383570324 /nfs/dbraw/zinc/57/03/24/383570324.db2.gz WQHSACBYJSJTHR-OAHLLOKOSA-N 2 0 269.392 2.713 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)C1 ZINC000570826591 383639095 /nfs/dbraw/zinc/63/90/95/383639095.db2.gz HTIJQWVNFVTBAI-QLFBSQMISA-N 2 0 293.480 2.745 20 0 CFADRP CC1(C)CC[C@@H](C[NH+]2CCC(Nc3ccccn3)CC2)O1 ZINC000570906559 383645634 /nfs/dbraw/zinc/64/56/34/383645634.db2.gz DDXCGMHXRBRIHM-HNNXBMFYSA-N 2 0 289.423 2.916 20 0 CFADRP CCc1cc(OC)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430942618 383613727 /nfs/dbraw/zinc/61/37/27/383613727.db2.gz MKXNTGZAIZGCOJ-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430962394 383616753 /nfs/dbraw/zinc/61/67/53/383616753.db2.gz QDJAPKREINLMHH-SNVBAGLBSA-N 2 0 289.206 2.653 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C1(C)C ZINC000451501509 383630037 /nfs/dbraw/zinc/63/00/37/383630037.db2.gz PDFLEIPIJVVRNC-RRFJBIMHSA-N 2 0 268.445 2.652 20 0 CFADRP C(C[C@H]1CCOC1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000645807140 383754528 /nfs/dbraw/zinc/75/45/28/383754528.db2.gz BYORBSLIVANXCU-DLBZAZTESA-N 2 0 280.456 2.753 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000645837804 383764030 /nfs/dbraw/zinc/76/40/30/383764030.db2.gz DONSKKWCZHVVES-JFIYKMOQSA-N 2 0 292.467 2.752 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000645837807 383764058 /nfs/dbraw/zinc/76/40/58/383764058.db2.gz DONSKKWCZHVVES-SOLBZPMBSA-N 2 0 292.467 2.752 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)C1 ZINC000572257163 383767642 /nfs/dbraw/zinc/76/76/42/383767642.db2.gz FWKYVMUWBRYWJD-QWRGUYRKSA-N 2 0 272.314 2.506 20 0 CFADRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCC1 ZINC000453134958 383780007 /nfs/dbraw/zinc/78/00/07/383780007.db2.gz OATWLPBXWPIYPI-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435432576 383774484 /nfs/dbraw/zinc/77/44/84/383774484.db2.gz NTFDMTGLXHAEEG-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000453132141 383778597 /nfs/dbraw/zinc/77/85/97/383778597.db2.gz XNCAUKGLAVHUHI-MRXNPFEDSA-N 2 0 290.455 2.653 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCc2ccncc2)CC1 ZINC000640017534 383673124 /nfs/dbraw/zinc/67/31/24/383673124.db2.gz MZFDVAPVTXDIJC-UHFFFAOYSA-N 2 0 275.440 2.820 20 0 CFADRP COc1ccc(OCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422894673 533010072 /nfs/dbraw/zinc/01/00/72/533010072.db2.gz CUWUEKPSVNYJRR-IAGOWNOFSA-N 2 0 292.423 2.714 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453246074 383813545 /nfs/dbraw/zinc/81/35/45/383813545.db2.gz COBDWKBNKAFPNK-ULQDDVLXSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000453248882 383815526 /nfs/dbraw/zinc/81/55/26/383815526.db2.gz XTGQVUZVLWRONQ-LSDHHAIUSA-N 2 0 263.429 2.580 20 0 CFADRP Cc1nccn1CCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532216 383818714 /nfs/dbraw/zinc/81/87/14/383818714.db2.gz BPKDSEIRWODIBK-UHFFFAOYSA-N 2 0 292.471 2.780 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000572797095 383819060 /nfs/dbraw/zinc/81/90/60/383819060.db2.gz HLHNMRGOYURAOU-BBWFWOEESA-N 2 0 283.504 2.817 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000572593329 383796809 /nfs/dbraw/zinc/79/68/09/383796809.db2.gz HSHZRJCPRXKZHA-OAHLLOKOSA-N 2 0 260.425 2.905 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453196910 383798226 /nfs/dbraw/zinc/79/82/26/383798226.db2.gz MBMOUJZEOMLSIW-HNNXBMFYSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000453206773 383801450 /nfs/dbraw/zinc/80/14/50/383801450.db2.gz YQLZXNDNFLKRTP-MLHJIOFPSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccnn1-c1ccccc1)C1CC1 ZINC000453591644 383863637 /nfs/dbraw/zinc/86/36/37/383863637.db2.gz DCFIBWRSIGYWLO-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP Cc1ccc2ncc(C[NH2+]CCCC[N@@H+](C)C3CC3)n2c1 ZINC000453591479 383863738 /nfs/dbraw/zinc/86/37/38/383863738.db2.gz CGFIYDLKKVIFGK-UHFFFAOYSA-N 2 0 286.423 2.607 20 0 CFADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC000573098261 383872344 /nfs/dbraw/zinc/87/23/44/383872344.db2.gz VUBOZEVDQQLRCL-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP Cc1cccc([C@@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646104510 383874361 /nfs/dbraw/zinc/87/43/61/383874361.db2.gz OQHWGFYWZHMWFG-MRXNPFEDSA-N 2 0 288.435 2.853 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423147253 533020653 /nfs/dbraw/zinc/02/06/53/533020653.db2.gz RMRQYTFMDIMWEO-DYVFJYSZSA-N 2 0 276.424 2.969 20 0 CFADRP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)S1 ZINC000531614490 383898694 /nfs/dbraw/zinc/89/86/94/383898694.db2.gz KHZXFJNZSPFSOG-MGPQQGTHSA-N 2 0 256.459 2.687 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000532206079 383992342 /nfs/dbraw/zinc/99/23/42/383992342.db2.gz YGTZEFRCPXPMCO-ZFWWWQNUSA-N 2 0 296.842 2.957 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000532224929 383995085 /nfs/dbraw/zinc/99/50/85/383995085.db2.gz LYTZKYUHFZXEJE-BGTYHANMSA-N 2 0 272.436 2.938 20 0 CFADRP CCCCOc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000531937114 383943277 /nfs/dbraw/zinc/94/32/77/383943277.db2.gz BZXXIPXJLZNPJC-PBHICJAKSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000573555594 383948437 /nfs/dbraw/zinc/94/84/37/383948437.db2.gz DMRPYAVVIYQOGF-IUODEOHRSA-N 2 0 289.423 2.595 20 0 CFADRP Clc1ccc(-c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)cc1 ZINC000573665418 383968455 /nfs/dbraw/zinc/96/84/55/383968455.db2.gz DVRWOWGYLRGTJS-FOLVSLTJSA-N 2 0 288.778 2.907 20 0 CFADRP c1ccc(C[C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000573951062 384020031 /nfs/dbraw/zinc/02/00/31/384020031.db2.gz UMRMQEZUJVWIJM-KRWDZBQOSA-N 2 0 258.409 2.597 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000573998444 384026568 /nfs/dbraw/zinc/02/65/68/384026568.db2.gz WPXCWJAZNISGSK-NVXWUHKLSA-N 2 0 278.440 2.594 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000532440994 384028041 /nfs/dbraw/zinc/02/80/41/384028041.db2.gz KTRDRCRBBUMQDN-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C1CCOCC1 ZINC000532461815 384032592 /nfs/dbraw/zinc/03/25/92/384032592.db2.gz BFMSUOIYHRAQKA-KRWDZBQOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000532506128 384038472 /nfs/dbraw/zinc/03/84/72/384038472.db2.gz WYGSBDZANZBQBA-HOTGVXAUSA-N 2 0 298.434 2.865 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000574054419 384038750 /nfs/dbraw/zinc/03/87/50/384038750.db2.gz PJVZKDVHJFLLLU-JQWIXIFHSA-N 2 0 265.426 2.628 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000532524327 384040783 /nfs/dbraw/zinc/04/07/83/384040783.db2.gz VDTPJIGTZHTKRJ-JKIFEVAISA-N 2 0 276.424 2.729 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000070356431 412973877 /nfs/dbraw/zinc/97/38/77/412973877.db2.gz ZMMWMVGGCOPJIK-HOTGVXAUSA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000574345263 384083269 /nfs/dbraw/zinc/08/32/69/384083269.db2.gz RCKQJDXSAVJDNI-UHFFFAOYSA-N 2 0 259.397 2.688 20 0 CFADRP c1nc(-c2ccccc2)[nH]c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000574175900 384059092 /nfs/dbraw/zinc/05/90/92/384059092.db2.gz VBIIVLKILRXXRL-DLBZAZTESA-N 2 0 296.418 2.554 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000574263441 384069358 /nfs/dbraw/zinc/06/93/58/384069358.db2.gz XHXNOKQFSHNNIP-GUTXKFCHSA-N 2 0 294.464 2.563 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CCn1ccnc1C ZINC000574509795 384105362 /nfs/dbraw/zinc/10/53/62/384105362.db2.gz DMMLVVNHUFNHQB-MRXNPFEDSA-N 2 0 285.391 2.867 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641167604 384117343 /nfs/dbraw/zinc/11/73/43/384117343.db2.gz RYSCMHGNMLLQSF-DZGCQCFKSA-N 2 0 293.459 2.587 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](NCc2coc(-c3cccs3)n2)C1 ZINC000574652041 384128869 /nfs/dbraw/zinc/12/88/69/384128869.db2.gz USLLXKALAOBYPZ-WDEREUQCSA-N 2 0 277.393 2.763 20 0 CFADRP COC1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422842898 533041195 /nfs/dbraw/zinc/04/11/95/533041195.db2.gz ZLYSGWJKRUYCAK-LTDKPHRXSA-N 2 0 290.451 2.740 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000281112092 195109510 /nfs/dbraw/zinc/10/95/10/195109510.db2.gz CKGOLBMKWNKNEP-MRXNPFEDSA-N 2 0 292.398 2.897 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)c1ccncc1F ZINC000641400605 384183422 /nfs/dbraw/zinc/18/34/22/384183422.db2.gz AVXGDHVLVLPMGI-GFCCVEGCSA-N 2 0 251.349 2.531 20 0 CFADRP CO[C@](C)(C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000637888247 384249963 /nfs/dbraw/zinc/24/99/63/384249963.db2.gz BFDJJEKINRSXAT-QGZVFWFLSA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000266877780 384252414 /nfs/dbraw/zinc/25/24/14/384252414.db2.gz UZVDJMPTEIOOSD-XJKSGUPXSA-N 2 0 294.414 2.996 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCCC[NH+](C)C)cc1O ZINC000277324954 384267621 /nfs/dbraw/zinc/26/76/21/384267621.db2.gz WSZKSSVFBKTCOK-AWEZNQCLSA-N 2 0 294.439 2.653 20 0 CFADRP CSc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000641707204 384278244 /nfs/dbraw/zinc/27/82/44/384278244.db2.gz CAPKATBLICTSPX-NEPJUHHUSA-N 2 0 266.410 2.718 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2CCSCC2)CC1 ZINC000637955611 384306536 /nfs/dbraw/zinc/30/65/36/384306536.db2.gz LPVHLFUIPFDEFJ-UHFFFAOYSA-N 2 0 270.486 2.936 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](OC)[C@H](C)CC)CC1 ZINC000637955645 384306696 /nfs/dbraw/zinc/30/66/96/384306696.db2.gz MFMSRMUYUHNHIK-ZBFHGGJFSA-N 2 0 270.461 2.854 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637928862 384286408 /nfs/dbraw/zinc/28/64/08/384286408.db2.gz ZLPTZRZDGUSBKJ-MRXNPFEDSA-N 2 0 287.451 2.539 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000641718300 384289017 /nfs/dbraw/zinc/28/90/17/384289017.db2.gz VSJWFVAXHNWEGY-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000641718298 384289958 /nfs/dbraw/zinc/28/99/58/384289958.db2.gz VSJWFVAXHNWEGY-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+](CC)CC[C@@H](CO)NC/C=C\c1ccc(F)cc1 ZINC000641772318 384338088 /nfs/dbraw/zinc/33/80/88/384338088.db2.gz OXAZIDHQPDHETM-OSJSJHBBSA-N 2 0 294.414 2.521 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000637999842 384341850 /nfs/dbraw/zinc/34/18/50/384341850.db2.gz PCHFOJFMICZZOZ-HIFRSBDPSA-N 2 0 256.434 2.510 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000641779327 384345313 /nfs/dbraw/zinc/34/53/13/384345313.db2.gz FSPZPGHCYTYUTL-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000641806101 384373841 /nfs/dbraw/zinc/37/38/41/384373841.db2.gz CDDCLCQIWIVYKO-CVEARBPZSA-N 2 0 299.462 2.512 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641798221 384365495 /nfs/dbraw/zinc/36/54/95/384365495.db2.gz IYERVMHGPZCSHJ-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641800078 384366375 /nfs/dbraw/zinc/36/63/75/384366375.db2.gz VHPNBUKOWJPBKY-HOTGVXAUSA-N 2 0 278.440 2.554 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC[C@H]3CCO3)C2)CC1 ZINC000637977819 384323542 /nfs/dbraw/zinc/32/35/42/384323542.db2.gz KLCISJZGWZRNSV-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641765637 384331359 /nfs/dbraw/zinc/33/13/59/384331359.db2.gz RKTVSUGGYDMPSW-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP COc1cc(OC)c([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1Cl ZINC000423297431 533059716 /nfs/dbraw/zinc/05/97/16/533059716.db2.gz KGCLWUIZFIBEDT-ZJUUUORDSA-N 2 0 286.803 2.603 20 0 CFADRP CC[NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000638092715 384407550 /nfs/dbraw/zinc/40/75/50/384407550.db2.gz MAGPURWXAWVPFC-SNVBAGLBSA-N 2 0 286.379 2.767 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000638106135 384419708 /nfs/dbraw/zinc/41/97/08/384419708.db2.gz ZWSYDIKFDKIMGK-BBWFWOEESA-N 2 0 282.472 2.998 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000641808980 384375260 /nfs/dbraw/zinc/37/52/60/384375260.db2.gz VGVMBPPKPBMKML-ZIAGYGMSSA-N 2 0 266.816 2.988 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000641810214 384375280 /nfs/dbraw/zinc/37/52/80/384375280.db2.gz ZQKKPGRMUZAWKU-RYUDHWBXSA-N 2 0 270.323 2.503 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000641809698 384375347 /nfs/dbraw/zinc/37/53/47/384375347.db2.gz UEDGETHABXUTIE-HNNXBMFYSA-N 2 0 287.451 2.512 20 0 CFADRP Cc1nc(-c2ccccc2)oc1CN(C)CC(C)(C)[NH3+] ZINC000641823139 384380498 /nfs/dbraw/zinc/38/04/98/384380498.db2.gz RCWKTTLHRMXOPL-UHFFFAOYSA-N 2 0 273.380 2.819 20 0 CFADRP CCCc1nc(C)c(CN2CCCCC[C@H]([NH3+])C2)o1 ZINC000641824607 384380743 /nfs/dbraw/zinc/38/07/43/384380743.db2.gz VAAWVTWJIKGMCG-ZDUSSCGKSA-N 2 0 265.401 2.639 20 0 CFADRP C[C@H]1C[N@H+](CCCNCc2ccc(F)c(F)c2)CCCO1 ZINC000277872829 384429713 /nfs/dbraw/zinc/42/97/13/384429713.db2.gz NPSZLGYYUXBBKY-ZDUSSCGKSA-N 2 0 298.377 2.555 20 0 CFADRP CCC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000638122146 384435295 /nfs/dbraw/zinc/43/52/95/384435295.db2.gz LPGLPOIBMGDBAL-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)OC ZINC000638124281 384438392 /nfs/dbraw/zinc/43/83/92/384438392.db2.gz VHWALFMZQRCYST-JYJNAYRXSA-N 2 0 270.461 2.711 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180732 384474213 /nfs/dbraw/zinc/47/42/13/384474213.db2.gz KJRPDWVODYPFQT-ONIAQPFYSA-N 2 0 294.483 2.996 20 0 CFADRP c1ccc(O[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000643057201 384488525 /nfs/dbraw/zinc/48/85/25/384488525.db2.gz YQVULQGFMZNWSU-FUHWJXTLSA-N 2 0 288.435 2.920 20 0 CFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278295650 384521060 /nfs/dbraw/zinc/52/10/60/384521060.db2.gz CGVVXWGLTZSNFE-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCC2CCCC2)CC1 ZINC000638279419 384525265 /nfs/dbraw/zinc/52/52/65/384525265.db2.gz QOZYJWBPWCFOKA-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC1(F)F ZINC000638305524 384545094 /nfs/dbraw/zinc/54/50/94/384545094.db2.gz AKYZQCTYVOXPED-CHWSQXEVSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000278382055 384548671 /nfs/dbraw/zinc/54/86/71/384548671.db2.gz CKYFGWHYSKDZBW-HUUCEWRRSA-N 2 0 294.414 2.977 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000278382049 384549367 /nfs/dbraw/zinc/54/93/67/384549367.db2.gz CKYFGWHYSKDZBW-GJZGRUSLSA-N 2 0 294.414 2.977 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccccc32)CCCO1 ZINC000278381793 384549614 /nfs/dbraw/zinc/54/96/14/384549614.db2.gz CJRJZNFHCZNTPO-CRAIPNDOSA-N 2 0 288.435 2.764 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000643296068 384555359 /nfs/dbraw/zinc/55/53/59/384555359.db2.gz LCDBQFFKYBNIIA-UHFFFAOYSA-N 2 0 279.453 2.983 20 0 CFADRP COCC1(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000638365128 384590695 /nfs/dbraw/zinc/59/06/95/384590695.db2.gz BBMQHZUKBILHQT-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@H](C)N1CCCC[C@@H]1C)C1CC1 ZINC000638359922 384583429 /nfs/dbraw/zinc/58/34/29/384583429.db2.gz FIYMLBUAEUVFQI-OFQRWUPVSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nnsc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000638371249 384596629 /nfs/dbraw/zinc/59/66/29/384596629.db2.gz PBFWTTKSMMMQCQ-STQMWFEESA-N 2 0 296.484 2.694 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000643344991 384597274 /nfs/dbraw/zinc/59/72/74/384597274.db2.gz FWXGKTPPMQZRLC-DOTOQJQBSA-N 2 0 287.451 2.651 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CS1 ZINC000638371346 384597826 /nfs/dbraw/zinc/59/78/26/384597826.db2.gz QUDSSXOYJZCQHT-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNCc2nc3ccccc3nc2C)C1 ZINC000638409640 384632276 /nfs/dbraw/zinc/63/22/76/384632276.db2.gz NHDKMRDYSSYVME-HNNXBMFYSA-N 2 0 298.434 2.760 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000643497604 384663299 /nfs/dbraw/zinc/66/32/99/384663299.db2.gz FYIVSFYLMWYCRR-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453018 384635002 /nfs/dbraw/zinc/63/50/02/384635002.db2.gz CHMHGWUIIBFFFB-MJBXVCDLSA-N 2 0 295.858 2.882 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457433 384636703 /nfs/dbraw/zinc/63/67/03/384636703.db2.gz AVFQUBLAEBDUMV-XYJFISCASA-N 2 0 289.467 2.614 20 0 CFADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC[C@H]1CCO1 ZINC000638416721 384638791 /nfs/dbraw/zinc/63/87/91/384638791.db2.gz DAWSRNZKFAYQDV-FZKCQIBNSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)C1CCCC1 ZINC000638423883 384644097 /nfs/dbraw/zinc/64/40/97/384644097.db2.gz BYPADBPEZPBFKC-QGZVFWFLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466844 384646763 /nfs/dbraw/zinc/64/67/63/384646763.db2.gz SQDHGJLTHKYCGR-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000643466757 384647196 /nfs/dbraw/zinc/64/71/96/384647196.db2.gz MNQOUXPRFXVEDM-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643469199 384650623 /nfs/dbraw/zinc/65/06/23/384650623.db2.gz XFOKUHXEDXBGNW-QWHCGFSZSA-N 2 0 262.372 2.793 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643478104 384654281 /nfs/dbraw/zinc/65/42/81/384654281.db2.gz ZVQUNYFNRJJCRL-JQFCIGGWSA-N 2 0 258.409 2.509 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000643475704 384654323 /nfs/dbraw/zinc/65/43/23/384654323.db2.gz BSFIFXBYHJDTKN-WLYUNCDWSA-N 2 0 256.434 2.830 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000643475966 384654648 /nfs/dbraw/zinc/65/46/48/384654648.db2.gz ZAZWZMHPLOAKBL-SLTXQBBLSA-N 2 0 268.445 2.700 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2COc3cc(F)cc(F)c32)CC1 ZINC000643480747 384657562 /nfs/dbraw/zinc/65/75/62/384657562.db2.gz ZYNBRMDVQNSFFG-OCTTZUBCSA-N 2 0 282.334 2.505 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000643488910 384658747 /nfs/dbraw/zinc/65/87/47/384658747.db2.gz LHKDMHLVHSENQL-LSDHHAIUSA-N 2 0 273.424 2.610 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000643493746 384661182 /nfs/dbraw/zinc/66/11/82/384661182.db2.gz HRWNUCPLIVYASZ-RRQGHBQHSA-N 2 0 276.424 2.733 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000643542628 384723116 /nfs/dbraw/zinc/72/31/16/384723116.db2.gz UREWZBWDVMQIMN-XQQFMLRXSA-N 2 0 252.427 2.786 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545192 384725173 /nfs/dbraw/zinc/72/51/73/384725173.db2.gz LRRFVZHCJDYOHC-CHWSQXEVSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)C1CC[NH+](C)CC1 ZINC000643512952 384684248 /nfs/dbraw/zinc/68/42/48/384684248.db2.gz OWSQETGRJMRLKA-OAHLLOKOSA-N 3 0 281.488 2.619 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cnn1C(C)C ZINC000643521760 384687734 /nfs/dbraw/zinc/68/77/34/384687734.db2.gz BGIWPEDNVWYUTK-TZMCWYRMSA-N 2 0 264.417 2.565 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[C@H]1Oc1ccccc1 ZINC000643522599 384688795 /nfs/dbraw/zinc/68/87/95/384688795.db2.gz PVGOSLRZPXKCBF-DJIMGWMZSA-N 2 0 288.435 2.964 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522154 384689083 /nfs/dbraw/zinc/68/90/83/384689083.db2.gz IXPNIZGHZFWPQP-ZBFHGGJFSA-N 2 0 274.408 2.940 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522653 384689969 /nfs/dbraw/zinc/68/99/69/384689969.db2.gz QZUBVZQIFDTRBN-MSOLQXFVSA-N 2 0 290.451 2.960 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000643522873 384691066 /nfs/dbraw/zinc/69/10/66/384691066.db2.gz UEIWEQDVIGGKHI-CMPLNLGQSA-N 2 0 283.803 2.536 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000643523057 384691583 /nfs/dbraw/zinc/69/15/83/384691583.db2.gz VXLCLXVXCMEJMI-HIFRSBDPSA-N 2 0 276.428 2.791 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000643523986 384692178 /nfs/dbraw/zinc/69/21/78/384692178.db2.gz UJQNUTVRLFQTBU-UPJWGTAASA-N 2 0 252.427 2.929 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000643524183 384693473 /nfs/dbraw/zinc/69/34/73/384693473.db2.gz TYRCEBSGVFBGFV-XJKCOSOUSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@H]([NH3+])CN[C@@H](C)c1ccc(Br)s1 ZINC000643525745 384693635 /nfs/dbraw/zinc/69/36/35/384693635.db2.gz DBWYMOCZURAEBC-BQBZGAKWSA-N 2 0 263.204 2.508 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000643526277 384696674 /nfs/dbraw/zinc/69/66/74/384696674.db2.gz XOKUEBSFWVQYGW-COXVUDFISA-N 2 0 258.409 2.664 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)[NH3+])cc1F ZINC000643528357 384700912 /nfs/dbraw/zinc/70/09/12/384700912.db2.gz HWLSEOAUUFLMHB-OSAQELSMSA-N 2 0 280.387 2.797 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c2ccccc12 ZINC000643528597 384701709 /nfs/dbraw/zinc/70/17/09/384701709.db2.gz LSAKVANJDUVNES-RYUDHWBXSA-N 2 0 258.365 2.846 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000643532467 384704193 /nfs/dbraw/zinc/70/41/93/384704193.db2.gz GRLHNOWOBPZPSH-IIAWOOMASA-N 2 0 273.424 2.814 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-n2ccnc2)cc1 ZINC000643534203 384705483 /nfs/dbraw/zinc/70/54/83/384705483.db2.gz OIIXXZQHHHFSCY-PBHICJAKSA-N 2 0 296.418 2.665 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCC2 ZINC000643534291 384706144 /nfs/dbraw/zinc/70/61/44/384706144.db2.gz PVDSMNPAXHNDOV-SUMWQHHRSA-N 2 0 270.420 2.968 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000279650270 384706623 /nfs/dbraw/zinc/70/66/23/384706623.db2.gz BUCOUNXUELHOQO-GOEBONIOSA-N 2 0 264.413 2.694 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534539 384707254 /nfs/dbraw/zinc/70/72/54/384707254.db2.gz XJAYGHGSYCRHPN-IAQYHMDHSA-N 2 0 278.371 2.627 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643534994 384707863 /nfs/dbraw/zinc/70/78/63/384707863.db2.gz HDTWBDYZSLKCQI-SJORKVTESA-N 2 0 270.420 2.739 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000643535682 384709033 /nfs/dbraw/zinc/70/90/33/384709033.db2.gz HQSXLWAVJPZLQL-QPSCCSFWSA-N 2 0 250.430 2.933 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1(CC)CC ZINC000643535200 384709773 /nfs/dbraw/zinc/70/97/73/384709773.db2.gz KGOAWEWIGGNTNN-RRFJBIMHSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535167 384709832 /nfs/dbraw/zinc/70/98/32/384709832.db2.gz JVTQDOAABCPHMT-OLZOCXBDSA-N 2 0 277.437 2.561 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536616 384710993 /nfs/dbraw/zinc/71/09/93/384710993.db2.gz STXUBZCSIWNEMR-NVXWUHKLSA-N 2 0 286.419 2.804 20 0 CFADRP c1c[nH]c([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CCCCC2)n1 ZINC000643536827 384711471 /nfs/dbraw/zinc/71/14/71/384711471.db2.gz WIYWSXXGSNRNLS-LSDHHAIUSA-N 2 0 288.439 2.763 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cnn(C2CCCC2)c1 ZINC000643536202 384711547 /nfs/dbraw/zinc/71/15/47/384711547.db2.gz NZIOLKSXSDDNJY-CZUORRHYSA-N 2 0 288.439 2.791 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536023 384711908 /nfs/dbraw/zinc/71/19/08/384711908.db2.gz LZNYDBGFHSUIAF-MELADBBJSA-N 2 0 254.393 2.637 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643536280 384712154 /nfs/dbraw/zinc/71/21/54/384712154.db2.gz SIJGHSAVIQFITB-LSDHHAIUSA-N 2 0 277.387 2.650 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643536898 384713674 /nfs/dbraw/zinc/71/36/74/384713674.db2.gz YGJDCVOTEYGSBC-NEPJUHHUSA-N 2 0 296.336 2.823 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000643548322 384727888 /nfs/dbraw/zinc/72/78/88/384727888.db2.gz NSWPMKMSDMXNTJ-QLFBSQMISA-N 2 0 278.440 2.598 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]CCC[C@H]1CCO1)C(C)(C)C ZINC000638605325 384777593 /nfs/dbraw/zinc/77/75/93/384777593.db2.gz PUZQDBSNXMIJNE-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccncc1C[NH2+]CCN(C)Cc1ccccc1 ZINC000279827611 384777814 /nfs/dbraw/zinc/77/78/14/384777814.db2.gz GRPKJBCTSPBKKL-UHFFFAOYSA-N 2 0 269.392 2.612 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]CCC1CCOCC1)C(C)(C)C ZINC000638606193 384778361 /nfs/dbraw/zinc/77/83/61/384778361.db2.gz WQSMWNBWHARHRY-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP Cn1c(C[NH2+]CC2CC[NH+](C)CC2)cc2ccccc21 ZINC000638566666 384746994 /nfs/dbraw/zinc/74/69/94/384746994.db2.gz CEAGDPKAMYIGBW-UHFFFAOYSA-N 2 0 271.408 2.610 20 0 CFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CC12CC2 ZINC000643800122 384765280 /nfs/dbraw/zinc/76/52/80/384765280.db2.gz YNZBMCDPRBZLDK-KRWDZBQOSA-N 2 0 286.419 2.803 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000279810155 384770245 /nfs/dbraw/zinc/77/02/45/384770245.db2.gz XFDLUSCMXUDDGY-RHSMWYFYSA-N 2 0 274.408 2.614 20 0 CFADRP C([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638669224 384824656 /nfs/dbraw/zinc/82/46/56/384824656.db2.gz PITYCPITXPIIKH-VQHPVUNQSA-N 2 0 292.467 2.513 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2ccnn2-c2ccccc2)CC[N@@H+]1C ZINC000279847412 384785768 /nfs/dbraw/zinc/78/57/68/384785768.db2.gz OSRDAEUXBRCNJZ-NVXWUHKLSA-N 2 0 298.434 2.787 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000638633489 384796379 /nfs/dbraw/zinc/79/63/79/384796379.db2.gz ANVIQCKFDRRGJT-FZMZJTMJSA-N 2 0 282.428 2.871 20 0 CFADRP CCC[C@H](C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)OC ZINC000638633815 384797625 /nfs/dbraw/zinc/79/76/25/384797625.db2.gz FAJMBTZJGAHHNV-OAHLLOKOSA-N 2 0 282.403 2.792 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3c(s1)CCC3)CC[NH2+]CC2 ZINC000643973753 384800624 /nfs/dbraw/zinc/80/06/24/384800624.db2.gz FIKDUQZNLRFRSH-GFCCVEGCSA-N 2 0 291.464 2.596 20 0 CFADRP C[C@H]1CC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)C1 ZINC000638653756 384811697 /nfs/dbraw/zinc/81/16/97/384811697.db2.gz QQGPAHCGMMJBEL-ZIAGYGMSSA-N 2 0 282.472 2.636 20 0 CFADRP C(C[NH2+]C1CC[NH+](C2CCCC2)CC1)C[C@@H]1CCO1 ZINC000638732914 384875957 /nfs/dbraw/zinc/87/59/57/384875957.db2.gz FXHQDQXBBYOZMB-MRXNPFEDSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)[NH+](CCC[NH2+]CCC[C@H]1CCO1)C(C)C ZINC000638733127 384876123 /nfs/dbraw/zinc/87/61/23/384876123.db2.gz GCEMJKLCCCUGGS-HNNXBMFYSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)CC1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638740608 384878124 /nfs/dbraw/zinc/87/81/24/384878124.db2.gz ALPQBGOCXLPWFL-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP CCOC1CC(C[NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000638737760 384878376 /nfs/dbraw/zinc/87/83/76/384878376.db2.gz XAJZPIBPHNHDAZ-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccccc2C1 ZINC000644166518 384878636 /nfs/dbraw/zinc/87/86/36/384878636.db2.gz VGRPDXYYFULGBU-GVDBMIGSSA-N 2 0 258.409 2.794 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC000638701923 384849829 /nfs/dbraw/zinc/84/98/29/384849829.db2.gz WTHXRGWEDLTRQS-SDKNFDLMSA-N 2 0 268.445 2.652 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784134 533097271 /nfs/dbraw/zinc/09/72/71/533097271.db2.gz QVDDWYPEFFLBLK-STQMWFEESA-N 2 0 280.437 2.578 20 0 CFADRP CO[C@@](C)(C[NH2+]C1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000638779962 384913896 /nfs/dbraw/zinc/91/38/96/384913896.db2.gz MXLKOSVBNVYFRS-BCLQGDPASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000644522323 384916016 /nfs/dbraw/zinc/91/60/16/384916016.db2.gz MQKCYOURPBWFOY-JKSUJKDBSA-N 2 0 290.451 2.777 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638787794 384919528 /nfs/dbraw/zinc/91/95/28/384919528.db2.gz FSIYPEBSTBRGIQ-GOSISDBHSA-N 2 0 290.451 2.637 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000638787969 384919733 /nfs/dbraw/zinc/91/97/33/384919733.db2.gz WZKZWXSKNIHROS-GTPINHCMSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000644548806 384926585 /nfs/dbraw/zinc/92/65/85/384926585.db2.gz BWVMQEKSPCJYAI-CYBMUJFWSA-N 2 0 296.842 2.522 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000644550909 384927522 /nfs/dbraw/zinc/92/75/22/384927522.db2.gz OAGZCMISVHQETA-STQMWFEESA-N 2 0 254.443 2.857 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000644550907 384927738 /nfs/dbraw/zinc/92/77/38/384927738.db2.gz OAGZCMISVHQETA-QWHCGFSZSA-N 2 0 254.443 2.857 20 0 CFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCCC(C)(C)C ZINC000644572704 384940031 /nfs/dbraw/zinc/94/00/31/384940031.db2.gz UATQUZMOXSVQNS-QGZVFWFLSA-N 2 0 292.467 2.895 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638865228 384997314 /nfs/dbraw/zinc/99/73/14/384997314.db2.gz UHXZDSURQAXSKL-XHSDSOJGSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H](CF)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000644891957 385118750 /nfs/dbraw/zinc/11/87/50/385118750.db2.gz KUWUMTIHWHJUJH-AWEZNQCLSA-N 2 0 280.387 2.609 20 0 CFADRP Cc1nccn1CC[N@H+](C)CCOc1cccc(C)c1 ZINC000270681968 385188107 /nfs/dbraw/zinc/18/81/07/385188107.db2.gz VHKIDRPVDHFXJE-UHFFFAOYSA-N 2 0 273.380 2.511 20 0 CFADRP Fc1cncc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000281331251 385189001 /nfs/dbraw/zinc/18/90/01/385189001.db2.gz TZEOVWSSMDTISQ-SJKOYZFVSA-N 2 0 289.398 2.746 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281412895 385192833 /nfs/dbraw/zinc/19/28/33/385192833.db2.gz ZLGHHGOOSLGADT-QGZVFWFLSA-N 2 0 291.414 2.993 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000281676374 385200003 /nfs/dbraw/zinc/20/00/03/385200003.db2.gz RDYZTAZBSPKHDG-MRXNPFEDSA-N 2 0 290.382 2.673 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4c(O)cccc34)C2)C1 ZINC000645048429 385171118 /nfs/dbraw/zinc/17/11/18/385171118.db2.gz NSMDJUVCQJLWRZ-GOSISDBHSA-N 2 0 297.402 2.863 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC000639113646 385208836 /nfs/dbraw/zinc/20/88/36/385208836.db2.gz QHTTZUNJHCXYRG-XMTFNYHQSA-N 2 0 270.420 2.674 20 0 CFADRP COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423166371 285157863 /nfs/dbraw/zinc/15/78/63/285157863.db2.gz CLSBWRAZPFKVEB-YHUYYLMFSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)C1(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000639117194 385213694 /nfs/dbraw/zinc/21/36/94/385213694.db2.gz FWQWJKSOOFKVLT-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282119302 385217776 /nfs/dbraw/zinc/21/77/76/385217776.db2.gz AQAJPMFIOXRZLH-MRXNPFEDSA-N 2 0 289.467 2.672 20 0 CFADRP CC(C)[NH+](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C(C)C ZINC000645167991 385222525 /nfs/dbraw/zinc/22/25/25/385222525.db2.gz XWLJCRAWOIHKRA-JKSUJKDBSA-N 2 0 297.487 2.519 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000645199596 385238990 /nfs/dbraw/zinc/23/89/90/385238990.db2.gz QPNDTVHEYNHULM-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)OC ZINC000639108806 385203059 /nfs/dbraw/zinc/20/30/59/385203059.db2.gz LLSBEFPJJJBXFX-XJKSGUPXSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](O)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271036321 385313816 /nfs/dbraw/zinc/31/38/16/385313816.db2.gz ROQXFVRPPGDSJC-ROUUACIJSA-N 2 0 290.451 2.744 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639204368 385324429 /nfs/dbraw/zinc/32/44/29/385324429.db2.gz SIEIJFBHAVADCJ-IEBWSBKVSA-N 2 0 299.462 2.541 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2cccc3c2OCO3)CC1 ZINC000271052201 385320507 /nfs/dbraw/zinc/32/05/07/385320507.db2.gz WMJUPRAQJAHQJS-UHFFFAOYSA-N 2 0 290.407 2.720 20 0 CFADRP CC[C@@H](C)[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)OC ZINC000639163886 385267681 /nfs/dbraw/zinc/26/76/81/385267681.db2.gz XYMDCGSVQOESQL-WOFIAXNJSA-N 2 0 268.445 2.605 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000639169539 385274544 /nfs/dbraw/zinc/27/45/44/385274544.db2.gz FAINHCOUQNQZQL-KRWDZBQOSA-N 2 0 260.425 2.857 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)CCC1CCOCC1 ZINC000639173769 385280611 /nfs/dbraw/zinc/28/06/11/385280611.db2.gz IWUBJCZKOLLCPI-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CCCCC1 ZINC000639177402 385286303 /nfs/dbraw/zinc/28/63/03/385286303.db2.gz DBXKWKHDTYBORZ-RCCFBDPRSA-N 2 0 294.483 2.998 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000639177320 385287144 /nfs/dbraw/zinc/28/71/44/385287144.db2.gz RTSLZAVUZXMTES-MSOLQXFVSA-N 2 0 294.483 2.855 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CCCC1 ZINC000639177558 385287769 /nfs/dbraw/zinc/28/77/69/385287769.db2.gz FKHBHKNPGFTLMM-YESZJQIVSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@@H+](Cc1cccc2cc[nH]c21)C[C@H]1CCC[NH+](C)C1 ZINC000271083495 385332810 /nfs/dbraw/zinc/33/28/10/385332810.db2.gz XXUFXUNTPWHLIK-AWEZNQCLSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1ccncc1CCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000289023866 197216703 /nfs/dbraw/zinc/21/67/03/197216703.db2.gz GJOHIODIXUCWLE-UHFFFAOYSA-N 2 0 289.467 2.986 20 0 CFADRP Cn1ccnc1[C@@H]([NH2+]C(C)(C)CCC[NH+](C)C)C1CC1 ZINC000639230468 385356899 /nfs/dbraw/zinc/35/68/99/385356899.db2.gz ALMMJAXMHROTSA-AWEZNQCLSA-N 2 0 278.444 2.581 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)OC ZINC000639231830 385359675 /nfs/dbraw/zinc/35/96/75/385359675.db2.gz TZPVYDKZWLGHIP-KBPBESRZSA-N 2 0 258.450 2.758 20 0 CFADRP CO[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)CC(C)C ZINC000639231386 385359946 /nfs/dbraw/zinc/35/99/46/385359946.db2.gz NKJGPZGFVISTKW-CQSZACIVSA-N 2 0 258.450 2.758 20 0 CFADRP Cn1cccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271353512 385380215 /nfs/dbraw/zinc/38/02/15/385380215.db2.gz YXDOIKHMPANZGT-GOEBONIOSA-N 2 0 261.413 2.646 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1OC ZINC000423118763 533113725 /nfs/dbraw/zinc/11/37/25/533113725.db2.gz CEVYOSMWVCJBLS-DGCLKSJQSA-N 2 0 280.412 2.790 20 0 CFADRP CO[C@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000639256878 385385537 /nfs/dbraw/zinc/38/55/37/385385537.db2.gz GSNXYBSJJZJOIZ-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000639257160 385387133 /nfs/dbraw/zinc/38/71/33/385387133.db2.gz JRDWMPXSORMNOD-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ncc([C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000639206881 385327778 /nfs/dbraw/zinc/32/77/78/385327778.db2.gz CTGFTIAOHHUNIJ-WMLDXEAASA-N 2 0 288.439 2.572 20 0 CFADRP Cc1ncc([C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000639206882 385328112 /nfs/dbraw/zinc/32/81/12/385328112.db2.gz CTGFTIAOHHUNIJ-YOEHRIQHSA-N 2 0 288.439 2.572 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000288989706 197206967 /nfs/dbraw/zinc/20/69/67/197206967.db2.gz DABCCARUVAPRDE-INIZCTEOSA-N 2 0 275.440 2.596 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000420411644 533121017 /nfs/dbraw/zinc/12/10/17/533121017.db2.gz RYKXAIBIIDIGIP-GOEBONIOSA-N 2 0 276.424 2.906 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)ccc1OC(C)C ZINC000422814461 533118933 /nfs/dbraw/zinc/11/89/33/533118933.db2.gz UWSXYYDBSDEQQG-OLZOCXBDSA-N 2 0 292.423 2.741 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C2CCCCC2)CS1 ZINC000639345435 385469822 /nfs/dbraw/zinc/46/98/22/385469822.db2.gz LMXBRAJQGXZXGU-VNHYZAJKSA-N 2 0 268.470 2.877 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000639347026 385470648 /nfs/dbraw/zinc/47/06/48/385470648.db2.gz LEVIQYCCWTZCIU-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000120925393 412998730 /nfs/dbraw/zinc/99/87/30/412998730.db2.gz RNQICIPZXJLBCF-JYJNAYRXSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000639335863 385461617 /nfs/dbraw/zinc/46/16/17/385461617.db2.gz YKCOROUDHLPKOD-IUODEOHRSA-N 2 0 268.470 2.592 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(O)c2OC)[C@@H](C)C1 ZINC000272257986 385490702 /nfs/dbraw/zinc/49/07/02/385490702.db2.gz JPDDLEMXCIGPPI-DZGCQCFKSA-N 2 0 292.423 2.563 20 0 CFADRP CCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1O ZINC000283720680 385493076 /nfs/dbraw/zinc/49/30/76/385493076.db2.gz BBZSDTNXWZAQCT-HIFRSBDPSA-N 2 0 292.423 2.705 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](OC)C2CC2)CC1 ZINC000639376140 385493517 /nfs/dbraw/zinc/49/35/17/385493517.db2.gz VUQZTSVHAPCILH-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000639378551 385495370 /nfs/dbraw/zinc/49/53/70/385495370.db2.gz IFHSLHQSCVSIHW-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C)(F)CC2)cc1 ZINC000639388859 385508563 /nfs/dbraw/zinc/50/85/63/385508563.db2.gz OHBUBRVLLOEWNI-UHFFFAOYSA-N 2 0 294.414 2.951 20 0 CFADRP C[C@H]1CCC[N@@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284089653 385533243 /nfs/dbraw/zinc/53/32/43/385533243.db2.gz LVYLPAQONBGIIG-WMZOPIPTSA-N 2 0 288.435 2.762 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639454889 385539338 /nfs/dbraw/zinc/53/93/38/385539338.db2.gz JQUZWKFSEQRMJS-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@@H]([NH2+]CCCc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000571992033 322603049 /nfs/dbraw/zinc/60/30/49/322603049.db2.gz QNDBMPKLQSRLOW-KGLIPLIRSA-N 2 0 252.427 2.801 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639484171 385555540 /nfs/dbraw/zinc/55/55/40/385555540.db2.gz HMIWUFLGJWUNAE-HNNXBMFYSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1F ZINC000272539038 385560531 /nfs/dbraw/zinc/56/05/31/385560531.db2.gz BUVREWXZYNXQKP-HOCLYGCPSA-N 2 0 262.372 2.660 20 0 CFADRP COCC1(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCC1 ZINC000423133457 533130171 /nfs/dbraw/zinc/13/01/71/533130171.db2.gz KPOJCIDEOVJOAJ-ZDUSSCGKSA-N 2 0 291.439 2.706 20 0 CFADRP C[C@H]([NH2+]C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564486 385565373 /nfs/dbraw/zinc/56/53/73/385565373.db2.gz FFBQSYBMVLUFFN-RDJZCZTQSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000639546178 385579179 /nfs/dbraw/zinc/57/91/79/385579179.db2.gz JOJIDBUQNHIOQK-WMZOPIPTSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(F)c(C)c2)CC[C@@H]1[NH3+] ZINC000122279997 413004111 /nfs/dbraw/zinc/00/41/11/413004111.db2.gz BAOSCIRKQMTMJA-HIFRSBDPSA-N 2 0 250.361 2.693 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(SC)cc2)CC[C@@H]1[NH3+] ZINC000122362948 413005782 /nfs/dbraw/zinc/00/57/82/413005782.db2.gz CKKVFMNFHQNRHN-ZFWWWQNUSA-N 2 0 264.438 2.968 20 0 CFADRP CCc1cc(NCCc2ccncc2C)nc(C)n1 ZINC000272849597 385632256 /nfs/dbraw/zinc/63/22/56/385632256.db2.gz JZTGXMVWWDUPMV-UHFFFAOYSA-N 2 0 256.353 2.705 20 0 CFADRP CC[N@@H+](Cc1c(C)cc(C)nc1C)C[C@@H](C)OC ZINC000639651721 385637655 /nfs/dbraw/zinc/63/76/55/385637655.db2.gz GJUFLTGBDPYJSJ-CYBMUJFWSA-N 2 0 250.386 2.864 20 0 CFADRP CC[C@](C)(CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272872296 385637650 /nfs/dbraw/zinc/63/76/50/385637650.db2.gz WOZRQWVFOVEMAQ-BPQIPLTHSA-N 2 0 290.451 2.648 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000639701817 385673244 /nfs/dbraw/zinc/67/32/44/385673244.db2.gz CCZQCLUKCUVWNI-MRXNPFEDSA-N 2 0 289.423 2.551 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2C)CC[C@@H]1[NH3+] ZINC000122876475 413008459 /nfs/dbraw/zinc/00/84/59/413008459.db2.gz XHJHPMVIHKCBJK-HIFRSBDPSA-N 2 0 292.423 2.571 20 0 CFADRP CN(CCC[N@H+](C)Cc1ccco1)c1ncnc2[nH]ccc21 ZINC000286692660 385687060 /nfs/dbraw/zinc/68/70/60/385687060.db2.gz ZCHDRSUHLHTZGA-UHFFFAOYSA-N 2 0 299.378 2.509 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ncccc3Cl)C2)CC1 ZINC000639757451 385697411 /nfs/dbraw/zinc/69/74/11/385697411.db2.gz JPGNNAYAKVFZMD-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCCC3CCOCC3)C2)CC1 ZINC000639756260 385697512 /nfs/dbraw/zinc/69/75/12/385697512.db2.gz TUZMULSAEUWJHQ-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1[NH3+] ZINC000122777267 413009389 /nfs/dbraw/zinc/00/93/89/413009389.db2.gz RSOVQAMSYVBTPN-WBMJQRKESA-N 2 0 287.382 2.933 20 0 CFADRP C[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)Cc1ccccc1 ZINC000274855910 385884630 /nfs/dbraw/zinc/88/46/30/385884630.db2.gz QNHWXBSYJGEKKX-OAHLLOKOSA-N 2 0 258.409 2.717 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274898691 385893478 /nfs/dbraw/zinc/89/34/78/385893478.db2.gz KVLUSYZPLVBLJQ-JQHSSLGASA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)cn1 ZINC000274766370 385866310 /nfs/dbraw/zinc/86/63/10/385866310.db2.gz LIRHSAFPWMWQGL-LLVKDONJSA-N 2 0 265.788 2.648 20 0 CFADRP CC(C)OC1CC([NH2+]Cc2ccccc2Cn2ccnc2)C1 ZINC000275128470 385940308 /nfs/dbraw/zinc/94/03/08/385940308.db2.gz LKEOXZAXEGUJPA-UHFFFAOYSA-N 2 0 299.418 2.977 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccccc2OC(F)F)CC1 ZINC000276725708 386027382 /nfs/dbraw/zinc/02/73/82/386027382.db2.gz XGVFESGANKSECU-UHFFFAOYSA-N 2 0 298.377 2.904 20 0 CFADRP COC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCCC1 ZINC000446748839 285234843 /nfs/dbraw/zinc/23/48/43/285234843.db2.gz ULFPKXLVYQVERB-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000247021025 285235128 /nfs/dbraw/zinc/23/51/28/285235128.db2.gz LSYZQMNBWZKFOA-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccncc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000287579987 196891054 /nfs/dbraw/zinc/89/10/54/196891054.db2.gz CDNBQRDIZIXLJG-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)C1 ZINC000281331375 195200000 /nfs/dbraw/zinc/20/00/00/195200000.db2.gz UAIXVRYIVXPFKA-LRDDRELGSA-N 2 0 292.398 2.753 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1Cl ZINC000423319241 533221515 /nfs/dbraw/zinc/22/15/15/533221515.db2.gz DJFXVAYPZGGDNW-NSHDSACASA-N 2 0 297.830 2.784 20 0 CFADRP CCOC(C)(C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681985173 542502541 /nfs/dbraw/zinc/50/25/41/542502541.db2.gz RQHGMGQQCXTINC-UHFFFAOYSA-N 2 0 294.439 2.532 20 0 CFADRP COC[C@@]1(C[NH2+]CC2CCC(C)(C)CC2)CCC[NH2+]1 ZINC000414941126 285325225 /nfs/dbraw/zinc/32/52/25/285325225.db2.gz IKUFUYMCSYHNNL-INIZCTEOSA-N 2 0 268.445 2.561 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCc2ccccc2)[C@H](C)C1 ZINC000682078482 542518817 /nfs/dbraw/zinc/51/88/17/542518817.db2.gz YVNFQGIMBQUZIR-SJLPKXTDSA-N 2 0 290.451 2.865 20 0 CFADRP COC[C@H](C)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682151156 542526570 /nfs/dbraw/zinc/52/65/70/542526570.db2.gz OBGXGPKXRJEVPI-MRXNPFEDSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000682376546 542543431 /nfs/dbraw/zinc/54/34/31/542543431.db2.gz DHILIKPBNRGCMJ-LRDDRELGSA-N 2 0 292.398 2.969 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000020200429 542570855 /nfs/dbraw/zinc/57/08/55/542570855.db2.gz QAJKNCNZGFKMCD-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP O[C@H](C[NH2+]C1CCC2(CCCC2)CC1)C[NH+]1CCCC1 ZINC000352826044 285354179 /nfs/dbraw/zinc/35/41/79/285354179.db2.gz VLZNEUHFHOUYHY-MRXNPFEDSA-N 2 0 280.456 2.536 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000423167009 285373954 /nfs/dbraw/zinc/37/39/54/285373954.db2.gz RSSVVIHSYCXHEK-BARDWOONSA-N 2 0 256.434 2.545 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534905 285394017 /nfs/dbraw/zinc/39/40/17/285394017.db2.gz BMXINRGLXXWWSF-MRXNPFEDSA-N 2 0 272.392 2.669 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(C)C)OC)[C@H](C)C1 ZINC000419222586 285397236 /nfs/dbraw/zinc/39/72/36/285397236.db2.gz KUILXGRPIYCJAV-PMPSAXMXSA-N 2 0 270.461 2.710 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000423209878 533300559 /nfs/dbraw/zinc/30/05/59/533300559.db2.gz FOBOZABDCHGKQW-SUYBPPKGSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423464047 533313893 /nfs/dbraw/zinc/31/38/93/533313893.db2.gz GKFPBWPHEUMKAW-ZOWXZIJZSA-N 2 0 292.398 2.929 20 0 CFADRP C[C@@H]([NH2+]CCCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422882043 533389019 /nfs/dbraw/zinc/38/90/19/533389019.db2.gz AATJUBMFWBEGQU-CJNGLKHVSA-N 2 0 271.408 2.831 20 0 CFADRP C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423103923 533365798 /nfs/dbraw/zinc/36/57/98/533365798.db2.gz AWVBXCMVRQNXNV-RKHAHWSXSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423536365 533374680 /nfs/dbraw/zinc/37/46/80/533374680.db2.gz HMMDNAKKNNAPSV-CQSZACIVSA-N 2 0 273.424 2.713 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000414067413 533377862 /nfs/dbraw/zinc/37/78/62/533377862.db2.gz AHADYPIHFFTBQL-OXGONZEZSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423254171 533402087 /nfs/dbraw/zinc/40/20/87/533402087.db2.gz XJTDVOPWFRTFCY-VXGBXAGGSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423245733 533402187 /nfs/dbraw/zinc/40/21/87/533402187.db2.gz JHVRWJOTBPOWQS-GHMZBOCLSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423218684 533418902 /nfs/dbraw/zinc/41/89/02/533418902.db2.gz VTBGWZYEJONEHJ-HUUCEWRRSA-N 2 0 298.434 2.737 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423211648 533419326 /nfs/dbraw/zinc/41/93/26/533419326.db2.gz LATKWVHFNCWRBL-VXGBXAGGSA-N 2 0 264.438 2.887 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422909914 533423517 /nfs/dbraw/zinc/42/35/17/533423517.db2.gz PKMNIWXOKNNMPK-UKPHBRMFSA-N 2 0 258.409 2.837 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422944929 533457350 /nfs/dbraw/zinc/45/73/50/533457350.db2.gz MGSLAHWQIJREIH-SJORKVTESA-N 2 0 276.424 2.877 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccc(-n2cccn2)c1 ZINC000415085939 533433784 /nfs/dbraw/zinc/43/37/84/533433784.db2.gz RIWMUTHTTASKNS-OAGGEKHMSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@@H]1CCC[NH2+]C1 ZINC000414820836 533440321 /nfs/dbraw/zinc/44/03/21/533440321.db2.gz JZTUIZWRCHTYRH-NXEZZACHSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(-c2ccccc2)nn1C ZINC000423468389 533496953 /nfs/dbraw/zinc/49/69/53/533496953.db2.gz YHOWOZLXGTYSEZ-UONOGXRCSA-N 2 0 286.423 2.865 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(Cl)c1 ZINC000422889203 533498318 /nfs/dbraw/zinc/49/83/18/533498318.db2.gz OYPCZEHJZRNMGZ-MNOVXSKESA-N 2 0 270.804 2.607 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000422714639 533499764 /nfs/dbraw/zinc/49/97/64/533499764.db2.gz RGMOHHCEIZXNLB-HUUCEWRRSA-N 2 0 280.387 2.626 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825330 533530110 /nfs/dbraw/zinc/53/01/10/533530110.db2.gz HGHBJGUMAOOVOE-WSMDXJOWSA-N 2 0 264.335 2.980 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414864438 533507954 /nfs/dbraw/zinc/50/79/54/533507954.db2.gz YOMPBXYCVDEGKT-ZBFHGGJFSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414895179 533579980 /nfs/dbraw/zinc/57/99/80/533579980.db2.gz MSOYJMJVWJLDGJ-LURJTMIESA-N 2 0 297.649 2.991 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414884315 533580060 /nfs/dbraw/zinc/58/00/60/533580060.db2.gz NQUQMQCXVOGHHL-AWEZNQCLSA-N 2 0 294.402 2.852 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422955260 533538206 /nfs/dbraw/zinc/53/82/06/533538206.db2.gz LHCHARCLOPTFAU-LBPRGKRZSA-N 2 0 281.469 2.672 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422892370 533538945 /nfs/dbraw/zinc/53/89/45/533538945.db2.gz MYMCOASDVCBXQW-ZDUSSCGKSA-N 2 0 273.380 2.949 20 0 CFADRP C[C@@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)C1C[NH2+]C1 ZINC000422835113 533550221 /nfs/dbraw/zinc/55/02/21/533550221.db2.gz IHVUXFQADDKPIE-GLKRBJQHSA-N 2 0 262.372 2.647 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951610 533553491 /nfs/dbraw/zinc/55/34/91/533553491.db2.gz ZHMHYKWLFHRAEU-LBPRGKRZSA-N 2 0 291.370 2.740 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422837112 533553645 /nfs/dbraw/zinc/55/36/45/533553645.db2.gz LLHLTVJAWVBAPL-GJZGRUSLSA-N 2 0 295.496 2.677 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422723554 533554775 /nfs/dbraw/zinc/55/47/75/533554775.db2.gz RUJHYXWKQBNCPD-JTQLQIEISA-N 2 0 265.382 2.620 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422868831 533607407 /nfs/dbraw/zinc/60/74/07/533607407.db2.gz WFYHNWXVZUIUFC-ZIAGYGMSSA-N 2 0 292.423 2.805 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2cccnc12 ZINC000414774995 533629462 /nfs/dbraw/zinc/62/94/62/533629462.db2.gz ZAVLLTBIFWYLFF-HDICACEKSA-N 2 0 295.430 2.975 20 0 CFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@H]1C ZINC000423198049 533636910 /nfs/dbraw/zinc/63/69/10/533636910.db2.gz CQPQMUNXZHJDGW-KKUMJFAQSA-N 2 0 296.455 2.606 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)C[C@H](c2ccccc2)C1 ZINC000423298733 533644919 /nfs/dbraw/zinc/64/49/19/533644919.db2.gz ADTKHIIQMHPTQR-IAOVAPTHSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827686 533670265 /nfs/dbraw/zinc/67/02/65/533670265.db2.gz HNOBGKSHUQLSGI-ZFWWWQNUSA-N 2 0 264.388 2.736 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000414826332 533663640 /nfs/dbraw/zinc/66/36/40/533663640.db2.gz FMOWFWVDLYTZAR-AWEZNQCLSA-N 2 0 284.403 2.938 20 0 CFADRP CCc1nc(C)cc(NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000341745258 130017318 /nfs/dbraw/zinc/01/73/18/130017318.db2.gz XGAXTVVZFKCVKA-CYBMUJFWSA-N 2 0 290.436 2.546 20 0 CFADRP CCn1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000682778891 542591134 /nfs/dbraw/zinc/59/11/34/542591134.db2.gz SBTVSBSMVFOHOT-MRXNPFEDSA-N 2 0 263.429 2.814 20 0 CFADRP C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000682912093 542609101 /nfs/dbraw/zinc/60/91/01/542609101.db2.gz ILQAMKGBKUXEFI-WMLDXEAASA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342105218 130264367 /nfs/dbraw/zinc/26/43/67/130264367.db2.gz OBEXARJHVSWUBI-GVDBMIGSSA-N 2 0 258.409 2.597 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(OC)CCC(C)CC2)CC1 ZINC000355429313 130302065 /nfs/dbraw/zinc/30/20/65/130302065.db2.gz ZJWVOTJHWZZWSI-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000192096819 130369848 /nfs/dbraw/zinc/36/98/48/130369848.db2.gz LJZMRFXPKPZEIL-ZIAGYGMSSA-N 2 0 289.423 2.594 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000356134105 130377707 /nfs/dbraw/zinc/37/77/07/130377707.db2.gz KENIGVMPOUCGFA-OAHLLOKOSA-N 2 0 282.497 2.936 20 0 CFADRP Cc1c[nH+]ccc1NCc1ccc(CC[NH+](C)C)cc1 ZINC000359724163 130534564 /nfs/dbraw/zinc/53/45/64/130534564.db2.gz WVCKBJAOVNSEMM-UHFFFAOYSA-N 2 0 269.392 2.528 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000192673946 130534961 /nfs/dbraw/zinc/53/49/61/130534961.db2.gz LLFGIROCODSRQV-QAPCUYQASA-N 2 0 288.435 2.797 20 0 CFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000683142160 542645146 /nfs/dbraw/zinc/64/51/46/542645146.db2.gz KFQKTFBLFXNCRL-DLBZAZTESA-N 2 0 290.451 2.648 20 0 CFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000683142163 542645228 /nfs/dbraw/zinc/64/52/28/542645228.db2.gz KFQKTFBLFXNCRL-SJORKVTESA-N 2 0 290.451 2.648 20 0 CFADRP CCCN(CC[C@@H]1CCC[N@@H+]1C)CC[NH+]1CCCCC1 ZINC000353153671 130586245 /nfs/dbraw/zinc/58/62/45/130586245.db2.gz ZMJGLJBBROMRMD-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(F)(F)C2)cc1 ZINC000683205992 542654378 /nfs/dbraw/zinc/65/43/78/542654378.db2.gz BYYCWWKKGLJGMJ-UHFFFAOYSA-N 2 0 284.350 2.514 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423336311 285479211 /nfs/dbraw/zinc/47/92/11/285479211.db2.gz GQXCAOGKEILPLW-ROUUACIJSA-N 2 0 270.420 2.907 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2C)[C@@H](C)C1 ZINC000245610859 131088198 /nfs/dbraw/zinc/08/81/98/131088198.db2.gz OAAIYIVVVYYKNA-ZFWWWQNUSA-N 2 0 290.411 2.584 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2)C1 ZINC000245849874 131091076 /nfs/dbraw/zinc/09/10/76/131091076.db2.gz AZCOGSIYPJQUOW-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000246333925 131093660 /nfs/dbraw/zinc/09/36/60/131093660.db2.gz HEUNRACDFRFNLA-YOEHRIQHSA-N 2 0 258.409 2.948 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246829811 131097972 /nfs/dbraw/zinc/09/79/72/131097972.db2.gz BATIQAAJCNTZOY-ARFHVFGLSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000248065188 131110427 /nfs/dbraw/zinc/11/04/27/131110427.db2.gz ZHTNHTLRXJYJTA-CZPYZCIJSA-N 2 0 296.842 2.692 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000266761212 131774225 /nfs/dbraw/zinc/77/42/25/131774225.db2.gz GQLXZWNRNSSTQK-DOTOQJQBSA-N 2 0 276.424 2.574 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423257611 285504401 /nfs/dbraw/zinc/50/44/01/285504401.db2.gz KIHBIUZVVSYUQH-WMLDXEAASA-N 2 0 290.476 2.996 20 0 CFADRP c1ccc2c(c1)n[nH]c2C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000683706035 542713492 /nfs/dbraw/zinc/71/34/92/542713492.db2.gz ANYFFXLWFVGMBC-UHFFFAOYSA-N 2 0 284.407 2.527 20 0 CFADRP CSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268707679 132053760 /nfs/dbraw/zinc/05/37/60/132053760.db2.gz ITKRMFBDPGTCBY-GDBMZVCRSA-N 2 0 278.465 2.850 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268813949 132070033 /nfs/dbraw/zinc/07/00/33/132070033.db2.gz PFCLQMHVXCJZHT-OFQRWUPVSA-N 2 0 276.424 2.934 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000268829266 132073263 /nfs/dbraw/zinc/07/32/63/132073263.db2.gz BUPMSZSCORNNJZ-WMLDXEAASA-N 2 0 275.440 2.573 20 0 CFADRP C[C@@H](C[NH2+]Cc1cc2ccccc2[nH]1)C[NH+]1CCCC1 ZINC000683927555 542745995 /nfs/dbraw/zinc/74/59/95/542745995.db2.gz LEXYXSBSFSZISL-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP c1csc(C2([NH2+]CC3CC[NH2+]CC3)CCCC2)n1 ZINC000178982923 393450567 /nfs/dbraw/zinc/45/05/67/393450567.db2.gz QTRZWVZHESCJDX-UHFFFAOYSA-N 2 0 265.426 2.502 20 0 CFADRP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178973963 393450719 /nfs/dbraw/zinc/45/07/19/393450719.db2.gz JFUPXKCKDPJBDN-WMLDXEAASA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180703345 393485220 /nfs/dbraw/zinc/48/52/20/393485220.db2.gz LNDRBSZWKOKTSX-ZDUSSCGKSA-N 2 0 298.471 2.959 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000302441137 393491996 /nfs/dbraw/zinc/49/19/96/393491996.db2.gz NMLNPVPQYBKWPX-AGIUHOORSA-N 2 0 260.372 2.742 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000041466543 393547412 /nfs/dbraw/zinc/54/74/12/393547412.db2.gz KDVRFGQNPZZSGW-UHFFFAOYSA-N 2 0 289.467 2.536 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000684376535 542796092 /nfs/dbraw/zinc/79/60/92/542796092.db2.gz CQFBNUSYXAJWGG-BZUAXINKSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH3+])CCC1)CC3 ZINC000333135900 393564445 /nfs/dbraw/zinc/56/44/45/393564445.db2.gz KEXWBAPQDUSZHV-CYBMUJFWSA-N 2 0 283.419 2.805 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188674276 393566388 /nfs/dbraw/zinc/56/63/88/393566388.db2.gz XAZXRMOFBWXXOM-SRABZTEZSA-N 2 0 282.472 2.636 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000684395478 542799869 /nfs/dbraw/zinc/79/98/69/542799869.db2.gz CPSPXXLFNLUJRN-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1[NH3+] ZINC000382965296 393572885 /nfs/dbraw/zinc/57/28/85/393572885.db2.gz ZAHUOQUHJFXUFV-GDBMZVCRSA-N 2 0 269.392 2.794 20 0 CFADRP CO[C@H](C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000400187138 393600189 /nfs/dbraw/zinc/60/01/89/393600189.db2.gz DKWDARVBKIPZQT-CRAIPNDOSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H](NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400627858 393601061 /nfs/dbraw/zinc/60/10/61/393601061.db2.gz LAOLMCLZHLXKHG-DLBZAZTESA-N 2 0 293.499 2.905 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401861295 393606091 /nfs/dbraw/zinc/60/60/91/393606091.db2.gz IFOAAXFBEPVRSZ-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401958468 393607122 /nfs/dbraw/zinc/60/71/22/393607122.db2.gz SAAWAJJJSYUPEV-YJBOKZPZSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000401923693 393607229 /nfs/dbraw/zinc/60/72/29/393607229.db2.gz PQPVJYOQAFFKIN-ZMSDIMECSA-N 2 0 276.424 2.664 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000401923688 393607456 /nfs/dbraw/zinc/60/74/56/393607456.db2.gz PQPVJYOQAFFKIN-BFYDXBDKSA-N 2 0 276.424 2.664 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](CC)C(=O)OCC)CC1 ZINC000075642698 393676957 /nfs/dbraw/zinc/67/69/57/393676957.db2.gz MJNRRBUEJOEVSV-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000191853478 393609203 /nfs/dbraw/zinc/60/92/03/393609203.db2.gz XHYJOHWVNWTNOY-DKIMLUQUSA-N 2 0 288.435 2.837 20 0 CFADRP Cc1c[nH+]ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000191981533 393611256 /nfs/dbraw/zinc/61/12/56/393611256.db2.gz XPNJZKFTTHSPEL-CABCVRRESA-N 2 0 259.397 2.842 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000049686704 393613247 /nfs/dbraw/zinc/61/32/47/393613247.db2.gz ONKZNWNJPIKKSX-CYBMUJFWSA-N 2 0 264.438 2.939 20 0 CFADRP C[N@H+](CCCCCn1cccn1)CC[C@H]1CCCC[NH+]1C ZINC000075859935 393681231 /nfs/dbraw/zinc/68/12/31/393681231.db2.gz CKRZYWWNWIQMDW-QGZVFWFLSA-N 2 0 292.471 2.860 20 0 CFADRP CCOC(=O)CCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860297 393681995 /nfs/dbraw/zinc/68/19/95/393681995.db2.gz GKBXDWFWOOWPJF-HNNXBMFYSA-N 2 0 284.444 2.526 20 0 CFADRP CC[C@@H](C)C[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000192752796 393631175 /nfs/dbraw/zinc/63/11/75/393631175.db2.gz YOIKYJHLWKDUMN-QGZVFWFLSA-N 2 0 283.504 2.771 20 0 CFADRP C[N@H+](CCCOCC(F)(F)F)CC[C@H]1CCCC[NH+]1C ZINC000075860704 393682097 /nfs/dbraw/zinc/68/20/97/393682097.db2.gz RCSFHNXNZBZBGG-CYBMUJFWSA-N 2 0 296.377 2.762 20 0 CFADRP FC1(F)CC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335010159 393633138 /nfs/dbraw/zinc/63/31/38/393633138.db2.gz OSIOMUYKTRHARJ-ZFWWWQNUSA-N 2 0 294.345 2.630 20 0 CFADRP C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000335008175 393633225 /nfs/dbraw/zinc/63/32/25/393633225.db2.gz HQKVRHFLLMHEOF-GOEBONIOSA-N 2 0 280.456 2.846 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335030151 393635426 /nfs/dbraw/zinc/63/54/26/393635426.db2.gz RFIUVCILWYINCN-CXMPNGEBSA-N 3 0 273.424 2.594 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923659 393637785 /nfs/dbraw/zinc/63/77/85/393637785.db2.gz LZDAZWINZIDHLU-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000071206196 393639361 /nfs/dbraw/zinc/63/93/61/393639361.db2.gz FNVNMTUFJNYXQN-CZUORRHYSA-N 2 0 259.397 2.829 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C1C[NH2+]C1 ZINC000335153656 393646736 /nfs/dbraw/zinc/64/67/36/393646736.db2.gz CPHOMQCWDKPJTL-XPTSAGLGSA-N 2 0 250.773 2.525 20 0 CFADRP COC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCC(C)CC1 ZINC000684557707 542826610 /nfs/dbraw/zinc/82/66/10/542826610.db2.gz CMILFJOWSIIOAF-CKDBGZEDSA-N 2 0 282.472 2.902 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCC1 ZINC000336371417 393731159 /nfs/dbraw/zinc/73/11/59/393731159.db2.gz FLIKCAJCWCFHEZ-AWEZNQCLSA-N 2 0 268.470 2.690 20 0 CFADRP CC[C@H](CO)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411774951 393747006 /nfs/dbraw/zinc/74/70/06/393747006.db2.gz QDFMFONQCROTFI-GOSISDBHSA-N 2 0 290.451 2.875 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000337246681 393756053 /nfs/dbraw/zinc/75/60/53/393756053.db2.gz HQMZBGAFHVTAJU-GJZGRUSLSA-N 2 0 256.434 2.654 20 0 CFADRP Oc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000684568035 542827902 /nfs/dbraw/zinc/82/79/02/542827902.db2.gz KDHWZXYJSKETNY-STQMWFEESA-N 2 0 283.375 2.979 20 0 CFADRP CC(C)c1ncc(CN2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000335967438 393711691 /nfs/dbraw/zinc/71/16/91/393711691.db2.gz AQWKDXRXODTPKU-HNNXBMFYSA-N 2 0 279.453 2.842 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000411551785 393725394 /nfs/dbraw/zinc/72/53/94/393725394.db2.gz OCLRMMKVXXYJBW-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C1CCN(C)CC1)c1cnn(C2CCCC2)c1 ZINC000337411640 393764243 /nfs/dbraw/zinc/76/42/43/393764243.db2.gz WLMIOWUKCSKWFD-ZDUSSCGKSA-N 2 0 276.428 2.743 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000337567898 393768627 /nfs/dbraw/zinc/76/86/27/393768627.db2.gz ZKPPRWSSNIZUTD-ZIAGYGMSSA-N 2 0 290.398 2.999 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000090461455 393778010 /nfs/dbraw/zinc/77/80/10/393778010.db2.gz WNMJAKPSSADVFB-JJXSEGSLSA-N 2 0 282.472 2.900 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000424339453 393836273 /nfs/dbraw/zinc/83/62/73/393836273.db2.gz VZSJGMUCCWWSGP-HZPDHXFCSA-N 2 0 262.397 2.705 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000414190588 393797215 /nfs/dbraw/zinc/79/72/15/393797215.db2.gz RIZGDYAWFSLYBI-HOCLYGCPSA-N 2 0 261.413 2.854 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](C2CCCC2)CC1 ZINC000093769487 393804244 /nfs/dbraw/zinc/80/42/44/393804244.db2.gz SFGKMNPMQPSUCU-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)CC3 ZINC000414804881 393805409 /nfs/dbraw/zinc/80/54/09/393805409.db2.gz YAJBHJUIMLDLNM-XJKSGUPXSA-N 2 0 285.435 2.907 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414813958 393805817 /nfs/dbraw/zinc/80/58/17/393805817.db2.gz UWJDHLBWSZUYHN-UHFFFAOYSA-N 2 0 268.445 2.833 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC000414772807 393806031 /nfs/dbraw/zinc/80/60/31/393806031.db2.gz CMVCALVAXPNJSS-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000414845497 393807223 /nfs/dbraw/zinc/80/72/23/393807223.db2.gz DOWUNSBNZKIZBL-QCEMKRCNSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414949489 393807760 /nfs/dbraw/zinc/80/77/60/393807760.db2.gz NNADFJNPCKJBNJ-ONERCXAPSA-N 2 0 264.800 2.537 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414940789 393808752 /nfs/dbraw/zinc/80/87/52/393808752.db2.gz KLHZGGKJIDPARR-YOEHRIQHSA-N 2 0 260.425 2.940 20 0 CFADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340224409 393837914 /nfs/dbraw/zinc/83/79/14/393837914.db2.gz WYVJBRZZXUBVAA-ZWKOTPCHSA-N 2 0 289.467 2.752 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000415027376 393810444 /nfs/dbraw/zinc/81/04/44/393810444.db2.gz WNUGYNCJIJELCX-HLLBOEOZSA-N 3 0 281.488 2.747 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000415087120 393811783 /nfs/dbraw/zinc/81/17/83/393811783.db2.gz KMBHPKCGWKLIAE-NHYWBVRUSA-N 2 0 282.815 2.758 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000415103388 393812123 /nfs/dbraw/zinc/81/21/23/393812123.db2.gz KBVIIIPOEMPXKX-INIZCTEOSA-N 2 0 264.388 2.734 20 0 CFADRP Clc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339072847 393815534 /nfs/dbraw/zinc/81/55/34/393815534.db2.gz YFKPPMRUAJTNDG-HUUCEWRRSA-N 2 0 294.826 2.935 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)C12CCCCC2 ZINC000245860288 393831180 /nfs/dbraw/zinc/83/11/80/393831180.db2.gz HUHWGDPIMVUZEL-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459355251 393882423 /nfs/dbraw/zinc/88/24/23/393882423.db2.gz YDHAZFBDZULYAJ-ZDUSSCGKSA-N 2 0 260.372 2.695 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(C)c(C)s2)[C@@H](C)C1 ZINC000246813273 393885266 /nfs/dbraw/zinc/88/52/66/393885266.db2.gz AGPHBMPGGXIJOJ-FZMZJTMJSA-N 2 0 281.469 2.622 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)[C@@H](C)C1 ZINC000247353323 393896527 /nfs/dbraw/zinc/89/65/27/393896527.db2.gz PMZLCCFHUWSMSJ-DZKIICNBSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515134 393897434 /nfs/dbraw/zinc/89/74/34/393897434.db2.gz ZEHAOMNGCYRMGE-KRWDZBQOSA-N 2 0 290.451 2.956 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000428470074 393897474 /nfs/dbraw/zinc/89/74/74/393897474.db2.gz YPCXHZZVTQRXBK-HNNXBMFYSA-N 2 0 288.439 2.654 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@@H]21 ZINC000684578353 542830628 /nfs/dbraw/zinc/83/06/28/542830628.db2.gz LSRDPDODJJYWGF-ZFWWWQNUSA-N 2 0 297.402 2.861 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000340288338 393841150 /nfs/dbraw/zinc/84/11/50/393841150.db2.gz INNASWGTRVIUOH-QZTJIDSGSA-N 2 0 293.499 2.667 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000245957973 393841437 /nfs/dbraw/zinc/84/14/37/393841437.db2.gz XPSCPSRPRGTRPL-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684590808 542832988 /nfs/dbraw/zinc/83/29/88/542832988.db2.gz QCCHCLFOYCODHQ-ZDUSSCGKSA-N 2 0 285.391 2.861 20 0 CFADRP CSC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000429275721 393950678 /nfs/dbraw/zinc/95/06/78/393950678.db2.gz LGZHQQHNTDGJHG-HNNXBMFYSA-N 2 0 270.486 2.937 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CSc3ccccc32)CC[N@@H+]1C ZINC000251750598 393933643 /nfs/dbraw/zinc/93/36/43/393933643.db2.gz DDXMSSHWHQVESU-HZSPNIEDSA-N 2 0 276.449 2.948 20 0 CFADRP CCC[N@H+](C[C@@H]1CCO[C@H](CC)C1)C1CC[NH2+]CC1 ZINC000346993809 393935787 /nfs/dbraw/zinc/93/57/87/393935787.db2.gz AVIHCMJVZWWYID-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1ccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261979707 393951665 /nfs/dbraw/zinc/95/16/65/393951665.db2.gz REYIGPUZLVGYFE-DZGCQCFKSA-N 2 0 262.372 2.615 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348090069 393946809 /nfs/dbraw/zinc/94/68/09/393946809.db2.gz VDYWUHJUKCCUGJ-BPLDGKMQSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348034227 393947179 /nfs/dbraw/zinc/94/71/79/393947179.db2.gz BRQCZXLNSDYAPB-NJAFHUGGSA-N 2 0 290.451 2.504 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474892390 393947514 /nfs/dbraw/zinc/94/75/14/393947514.db2.gz JGFUQMXEZPUVEK-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)SCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261545596 393948080 /nfs/dbraw/zinc/94/80/80/393948080.db2.gz GBNLMTWOHUGKRA-KGLIPLIRSA-N 2 0 250.411 2.862 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000261547834 393948578 /nfs/dbraw/zinc/94/85/78/393948578.db2.gz IQWROSWXJHOLGB-UHIISALHSA-N 2 0 252.789 2.989 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000249141212 393920426 /nfs/dbraw/zinc/92/04/26/393920426.db2.gz WDTHEQYKISIRLH-SRABZTEZSA-N 2 0 278.440 2.503 20 0 CFADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000261836786 393950105 /nfs/dbraw/zinc/95/01/05/393950105.db2.gz VDSHVWQNFYZGTI-ZIAGYGMSSA-N 2 0 267.376 2.589 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000271077812 394016741 /nfs/dbraw/zinc/01/67/41/394016741.db2.gz XKOLBBWGHJTMRC-SFHVURJKSA-N 2 0 290.451 2.774 20 0 CFADRP C(=C/c1ccncc1)\C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000486929546 393972232 /nfs/dbraw/zinc/97/22/32/393972232.db2.gz BAIDEYOVAMGHPI-OWOJBTEDSA-N 2 0 271.408 2.559 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccn(C)c2)C1 ZINC000123297216 393979211 /nfs/dbraw/zinc/97/92/11/393979211.db2.gz OAEAAEZUBGGTAA-HNNXBMFYSA-N 2 0 263.429 2.627 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000271906074 394024722 /nfs/dbraw/zinc/02/47/22/394024722.db2.gz WRDCAVNPEBCDIP-OAHLLOKOSA-N 2 0 296.418 2.785 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOc1cccc(F)c1 ZINC000430552642 393992742 /nfs/dbraw/zinc/99/27/42/393992742.db2.gz KHDIJKMOTLSGQG-HNNXBMFYSA-N 2 0 268.376 2.510 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000268905437 393996320 /nfs/dbraw/zinc/99/63/20/393996320.db2.gz LTGUMZSLFRMFIR-UONOGXRCSA-N 2 0 282.453 2.636 20 0 CFADRP CN(Cc1csc(-c2ccoc2)n1)CC(C)(C)C[NH3+] ZINC000430600420 393998596 /nfs/dbraw/zinc/99/85/96/393998596.db2.gz RUWQMCSTVCDFAA-UHFFFAOYSA-N 2 0 279.409 2.820 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000430627117 394000897 /nfs/dbraw/zinc/00/08/97/394000897.db2.gz SRHIIAZEJABHAA-UHFFFAOYSA-N 2 0 289.354 2.651 20 0 CFADRP COc1cc(C)nc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000270280089 394011644 /nfs/dbraw/zinc/01/16/44/394011644.db2.gz MGZMOVCQCONDCI-INIZCTEOSA-N 2 0 291.439 2.705 20 0 CFADRP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000274874623 394045101 /nfs/dbraw/zinc/04/51/01/394045101.db2.gz GIIUCUVOIFOWOY-YOEHRIQHSA-N 2 0 271.408 2.843 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000127224159 394045644 /nfs/dbraw/zinc/04/56/44/394045644.db2.gz PIRORTAMUXFBJE-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000276855667 394052383 /nfs/dbraw/zinc/05/23/83/394052383.db2.gz VDPLKJZJDNTQEW-OAHLLOKOSA-N 2 0 262.397 2.701 20 0 CFADRP C(C[C@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437339663 394053816 /nfs/dbraw/zinc/05/38/16/394053816.db2.gz CNBMAOJHRUQIME-RDJZCZTQSA-N 2 0 280.456 2.800 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000437580505 394060405 /nfs/dbraw/zinc/06/04/05/394060405.db2.gz NOCOAQCABDOJQF-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000128001121 394061248 /nfs/dbraw/zinc/06/12/48/394061248.db2.gz FQDIHUZTXNAYTO-JYJNAYRXSA-N 2 0 281.488 2.712 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128354216 394068028 /nfs/dbraw/zinc/06/80/28/394068028.db2.gz UCWLXZUOPPRXEW-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000358307324 394102880 /nfs/dbraw/zinc/10/28/80/394102880.db2.gz WSKXJJQSJGZKLH-IDXRPEPOSA-N 2 0 270.420 2.502 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000437768402 394072922 /nfs/dbraw/zinc/07/29/22/394072922.db2.gz BKBWZOLGIHLXRE-IWCVFHTOSA-N 3 0 287.451 2.681 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C1CCC([NH3+])CC1 ZINC000437775818 394074005 /nfs/dbraw/zinc/07/40/05/394074005.db2.gz POTBNTKTELLKLT-XGNXJENSSA-N 2 0 252.427 2.929 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000129071378 394081984 /nfs/dbraw/zinc/08/19/84/394081984.db2.gz ONYCPHWWRVPXND-CYBMUJFWSA-N 2 0 250.361 2.566 20 0 CFADRP CC1C[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000438846674 394084128 /nfs/dbraw/zinc/08/41/28/394084128.db2.gz ATBWRYCHBNWOSW-UHFFFAOYSA-N 2 0 287.451 2.669 20 0 CFADRP C[C@H]1C[C@@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000129276258 394086045 /nfs/dbraw/zinc/08/60/45/394086045.db2.gz BVWQLPIQBFRTJW-HPFXQQBRSA-N 2 0 293.499 2.712 20 0 CFADRP COc1cc2c(N[C@@H]3CCC[NH2+]C3)cc[nH+]c2cc1F ZINC000420191638 394091711 /nfs/dbraw/zinc/09/17/11/394091711.db2.gz XNGJVAMQENZIBN-SNVBAGLBSA-N 2 0 275.327 2.546 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC23CCC(CC2)C3)[C@H](C)C1 ZINC000358368275 394105024 /nfs/dbraw/zinc/10/50/24/394105024.db2.gz MEOAWMVTTRHWFI-YHNBSYBMSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CCN1C ZINC000129963839 394097753 /nfs/dbraw/zinc/09/77/53/394097753.db2.gz ZTBIYRNGFMXNIH-DJSGYFEHSA-N 2 0 262.372 2.885 20 0 CFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CCN1C ZINC000129964498 394098069 /nfs/dbraw/zinc/09/80/69/394098069.db2.gz ZTBIYRNGFMXNIH-HZUKXOBISA-N 2 0 262.372 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@H](C)C1 ZINC000358242604 394099491 /nfs/dbraw/zinc/09/94/91/394099491.db2.gz VYARSMWRXBWUPV-WCVJEAGWSA-N 2 0 282.472 2.900 20 0 CFADRP CCc1c(C)[nH+]c2ccccc2c1NCCCC[NH3+] ZINC000420228736 394099565 /nfs/dbraw/zinc/09/95/65/394099565.db2.gz FMBCJZACOWLCBA-UHFFFAOYSA-N 2 0 257.381 2.678 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353623787 394033498 /nfs/dbraw/zinc/03/34/98/394033498.db2.gz RXIRQRQUGGCOFG-HTXSYXIBSA-N 2 0 268.445 2.508 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353587809 394033517 /nfs/dbraw/zinc/03/35/17/394033517.db2.gz IZDUIZHVNQOHGV-JKJDWNRSSA-N 2 0 250.430 2.885 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000130270916 394107570 /nfs/dbraw/zinc/10/75/70/394107570.db2.gz HHXWWYQJEUZTPS-OUCADQQQSA-N 2 0 281.469 2.566 20 0 CFADRP C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)[C@H](C[NH3+])C1 ZINC000420258346 394107735 /nfs/dbraw/zinc/10/77/35/394107735.db2.gz KCRZFBSVPIPYTE-AAEUAGOBSA-N 2 0 273.355 2.938 20 0 CFADRP COCCC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000282004374 394108742 /nfs/dbraw/zinc/10/87/42/394108742.db2.gz QRKPGZBXAHFLFJ-IAGOWNOFSA-N 2 0 294.414 2.977 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCCCN1CCCc1ccsc1 ZINC000420275525 394113257 /nfs/dbraw/zinc/11/32/57/394113257.db2.gz QMIHRNVKSNPECA-TZMCWYRMSA-N 2 0 252.427 2.882 20 0 CFADRP [NH3+]CCC[N@H+](CC[C@@H]1CCCCO1)CC1CCCC1 ZINC000420321848 394117377 /nfs/dbraw/zinc/11/73/77/394117377.db2.gz VPVZDOPDVRILLJ-INIZCTEOSA-N 2 0 268.445 2.787 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420379911 394117902 /nfs/dbraw/zinc/11/79/02/394117902.db2.gz BNEDRMGCASQKHX-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1)CC(C)C ZINC000420929805 394128167 /nfs/dbraw/zinc/12/81/67/394128167.db2.gz DSLWKUMEFVKCCM-HDICACEKSA-N 2 0 296.499 2.837 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC(C)(C)C2)CC1(C)C ZINC000441331452 394137262 /nfs/dbraw/zinc/13/72/62/394137262.db2.gz NVUCUIFCMRMDHO-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CCC1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000441366521 394137454 /nfs/dbraw/zinc/13/74/54/394137454.db2.gz FIQHZCCNZVKZFU-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](C)COC ZINC000131701179 394139413 /nfs/dbraw/zinc/13/94/13/394139413.db2.gz QASWWMBCXPHBEL-OAHLLOKOSA-N 2 0 278.440 2.901 20 0 CFADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccccc21 ZINC000443506609 394142467 /nfs/dbraw/zinc/14/24/67/394142467.db2.gz DIEMZKMRSQDUNG-STQMWFEESA-N 2 0 255.365 2.764 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C)C[C@@H]3C)c2c1 ZINC000443443619 394142517 /nfs/dbraw/zinc/14/25/17/394142517.db2.gz YEUOOXJAOUAOPQ-ZDUSSCGKSA-N 2 0 255.365 2.684 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccs1 ZINC000360023058 394143624 /nfs/dbraw/zinc/14/36/24/394143624.db2.gz QXVBAYSJWSITRP-HIFRSBDPSA-N 2 0 275.421 2.859 20 0 CFADRP C[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)C1 ZINC000447302595 394150778 /nfs/dbraw/zinc/15/07/78/394150778.db2.gz FMXVHBPPULMCIF-OEXSFMSHSA-N 2 0 282.472 2.588 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000448026855 394154651 /nfs/dbraw/zinc/15/46/51/394154651.db2.gz KEMLSTJZIOCIAE-MRXNPFEDSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)CCN1C ZINC000132724522 394162005 /nfs/dbraw/zinc/16/20/05/394162005.db2.gz GLYRRKOINJHHOB-RDJZCZTQSA-N 2 0 287.451 2.728 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC2(COC)CCC2)CC1 ZINC000361301658 394169621 /nfs/dbraw/zinc/16/96/21/394169621.db2.gz XZALUFYEZHHNQS-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CO[C@]1(C)CCC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000361409792 394172958 /nfs/dbraw/zinc/17/29/58/394172958.db2.gz IZHDRZDNKWUODD-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421361289 394199864 /nfs/dbraw/zinc/19/98/64/394199864.db2.gz GMSBAMXBBJPLFM-KRWDZBQOSA-N 2 0 294.483 2.926 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000367526898 394256612 /nfs/dbraw/zinc/25/66/12/394256612.db2.gz KNATUEVIAHUUKU-YESZJQIVSA-N 2 0 292.398 2.667 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccncc2F)CC1 ZINC000449081583 394214488 /nfs/dbraw/zinc/21/44/88/394214488.db2.gz GLEOBGZZICNIMC-UHFFFAOYSA-N 2 0 279.403 2.822 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C4CC4)c3)C[C@@H]2C1 ZINC000421386519 394215389 /nfs/dbraw/zinc/21/53/89/394215389.db2.gz MCJFWKNAUSVZCA-CALCHBBNSA-N 2 0 256.393 2.557 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C1CCN(Cc2ccsc2)CC1 ZINC000364454162 394216072 /nfs/dbraw/zinc/21/60/72/394216072.db2.gz CVRAUGFPUXLDQS-QWHCGFSZSA-N 2 0 282.453 2.726 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000449129015 394221957 /nfs/dbraw/zinc/22/19/57/394221957.db2.gz AWSQCBUYXPSQQA-RYRKJORJSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422890852 394257476 /nfs/dbraw/zinc/25/74/76/394257476.db2.gz UBFLLNSXRFVGAC-ILOCAZANSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422905166 394257506 /nfs/dbraw/zinc/25/75/06/394257506.db2.gz RLMYBLSYAPDALF-LEUOFYLZSA-N 2 0 288.435 2.884 20 0 CFADRP CC[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422865567 394258153 /nfs/dbraw/zinc/25/81/53/394258153.db2.gz YOINAMCZDJWPQW-XIRDDKMYSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449155914 394233467 /nfs/dbraw/zinc/23/34/67/394233467.db2.gz CLJHFHIUKVQNNO-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)[C@H](C)O1 ZINC000449157710 394234236 /nfs/dbraw/zinc/23/42/36/394234236.db2.gz WIUVEYDYWJVMNU-BFQNTYOBSA-N 2 0 280.387 2.543 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421827226 394244915 /nfs/dbraw/zinc/24/49/15/394244915.db2.gz WVUDDCQVNHAUSD-WBVHZDCISA-N 2 0 287.451 2.651 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367627496 394259220 /nfs/dbraw/zinc/25/92/20/394259220.db2.gz TYUGSILZVINORQ-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421867806 394247516 /nfs/dbraw/zinc/24/75/16/394247516.db2.gz CJDAJGAKPQEZPO-TUVASFSCSA-N 2 0 282.497 2.838 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2scnc2C2CC2)C[C@@H]1C[NH3+] ZINC000422564427 394252729 /nfs/dbraw/zinc/25/27/29/394252729.db2.gz VZRBOGHUPFDASU-WZRBSPASSA-N 2 0 279.453 2.826 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422749870 394254273 /nfs/dbraw/zinc/25/42/73/394254273.db2.gz BFTVRFUIZPOOMD-UHOFOFEASA-N 2 0 262.397 2.926 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1(C)C ZINC000422769786 394255006 /nfs/dbraw/zinc/25/50/06/394255006.db2.gz PPAAGIIBGYEHAV-YHUYYLMFSA-N 2 0 282.472 2.804 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000362635073 394189640 /nfs/dbraw/zinc/18/96/40/394189640.db2.gz AERYJGMOASYHJB-SQNIBIBYSA-N 2 0 293.499 2.525 20 0 CFADRP C(CC[NH+]1CCOCC1)C[NH2+]C1CC2(C1)CCCCC2 ZINC000421335478 394190162 /nfs/dbraw/zinc/19/01/62/394190162.db2.gz SLHZAKHKBLJXTE-UHFFFAOYSA-N 2 0 280.456 2.801 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000422807889 394255196 /nfs/dbraw/zinc/25/51/96/394255196.db2.gz NQEBTIOSAHPHSY-BMGDILEWSA-N 2 0 296.414 2.538 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000291790748 394260626 /nfs/dbraw/zinc/26/06/26/394260626.db2.gz WCWCSXYBGPARLH-LBPRGKRZSA-N 2 0 252.427 2.696 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423014228 394260917 /nfs/dbraw/zinc/26/09/17/394260917.db2.gz OLVNDFAIZVPVBA-KSSFIOAISA-N 2 0 272.436 2.769 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000423046783 394261921 /nfs/dbraw/zinc/26/19/21/394261921.db2.gz FSWDPCAFTKCJHD-WUCCLRPBSA-N 2 0 268.445 2.686 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000423070091 394263074 /nfs/dbraw/zinc/26/30/74/394263074.db2.gz MPIVLYRARUCTIT-WCQYABFASA-N 2 0 294.370 2.976 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1C1CC1 ZINC000423074195 394264221 /nfs/dbraw/zinc/26/42/21/394264221.db2.gz KYQBKPVOYNVDHU-VSZNYVQBSA-N 2 0 291.483 2.514 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072944 394264417 /nfs/dbraw/zinc/26/44/17/394264417.db2.gz QSJLHWFURSNLOM-QWHCGFSZSA-N 2 0 284.350 2.548 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423078142 394265099 /nfs/dbraw/zinc/26/50/99/394265099.db2.gz VFMRBDKRCISLMS-WMLDXEAASA-N 2 0 275.440 2.986 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423076219 394265252 /nfs/dbraw/zinc/26/52/52/394265252.db2.gz YQLIEELXFQNJEA-SWHNLWLKSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000423078905 394265304 /nfs/dbraw/zinc/26/53/04/394265304.db2.gz PPLRONKEVVEKES-LXZKKBNFSA-N 2 0 258.409 2.910 20 0 CFADRP CC(C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000423078901 394265372 /nfs/dbraw/zinc/26/53/72/394265372.db2.gz POVCUVLHVGJLIW-YESZJQIVSA-N 2 0 293.499 2.619 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423078143 394265457 /nfs/dbraw/zinc/26/54/57/394265457.db2.gz VFMRBDKRCISLMS-YOEHRIQHSA-N 2 0 275.440 2.986 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH+](C)C ZINC000151968810 394267192 /nfs/dbraw/zinc/26/71/92/394267192.db2.gz INMYQOYSSDMDDD-XHDPSFHLSA-N 2 0 250.361 2.600 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423086728 394267276 /nfs/dbraw/zinc/26/72/76/394267276.db2.gz NUSRMAMJDFLTEZ-NORZTCDRSA-N 2 0 262.372 2.659 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH+](C)C ZINC000151968736 394267828 /nfs/dbraw/zinc/26/78/28/394267828.db2.gz INMYQOYSSDMDDD-IAQYHMDHSA-N 2 0 250.361 2.600 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000423089864 394268209 /nfs/dbraw/zinc/26/82/09/394268209.db2.gz TYCCHNATHYTDFP-KGLIPLIRSA-N 2 0 264.413 2.788 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089961 394268521 /nfs/dbraw/zinc/26/85/21/394268521.db2.gz WGLYAKGWLDAREN-SPOWBLRKSA-N 2 0 292.398 2.545 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000423092621 394269207 /nfs/dbraw/zinc/26/92/07/394269207.db2.gz CSIVWSPSABLFJI-BBRMVZONSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423092158 394269436 /nfs/dbraw/zinc/26/94/36/394269436.db2.gz ATBPEVJIMZYORR-PWSUYJOCSA-N 2 0 283.366 2.935 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000423092372 394269579 /nfs/dbraw/zinc/26/95/79/394269579.db2.gz BPHXSHRGUDLYED-HTWSVDAQSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093458 394270505 /nfs/dbraw/zinc/27/05/05/394270505.db2.gz HNRVBZZUMQCZCL-NJAFHUGGSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423203370 394273564 /nfs/dbraw/zinc/27/35/64/394273564.db2.gz CIZLQGFMOSYUHH-STQMWFEESA-N 2 0 279.403 2.542 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261402 394274916 /nfs/dbraw/zinc/27/49/16/394274916.db2.gz SEGKVDNIGFPXRY-ABAIWWIYSA-N 2 0 280.362 2.931 20 0 CFADRP CN(c1ccccc1C[NH+]1CC2(CC2)C1)C1CC[NH+](C)CC1 ZINC000449371197 394275006 /nfs/dbraw/zinc/27/50/06/394275006.db2.gz RIBVRHSBYPTBGE-UHFFFAOYSA-N 2 0 299.462 2.813 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423254911 394275260 /nfs/dbraw/zinc/27/52/60/394275260.db2.gz ZXDDPBHRSKJKGI-BXKDBHETSA-N 2 0 284.325 2.680 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423366091 394278562 /nfs/dbraw/zinc/27/85/62/394278562.db2.gz BMXVLCRBWOKJLR-IMJJTQAJSA-N 2 0 284.407 2.793 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000423358235 394278852 /nfs/dbraw/zinc/27/88/52/394278852.db2.gz BNVFUYJOJLPVQG-WCQGTBRESA-N 2 0 283.803 2.664 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000423399697 394280172 /nfs/dbraw/zinc/28/01/72/394280172.db2.gz PUWLFXJBPWJPCO-GMXVVIOVSA-N 2 0 264.438 2.885 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCCC2)cc1 ZINC000423423706 394280869 /nfs/dbraw/zinc/28/08/69/394280869.db2.gz DVPJOQHWOWAJFY-HCXYKTFWSA-N 2 0 284.447 2.985 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423473894 394283487 /nfs/dbraw/zinc/28/34/87/394283487.db2.gz GYJDACRGHFBXLT-ZBFHGGJFSA-N 2 0 262.372 2.935 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000423484016 394283952 /nfs/dbraw/zinc/28/39/52/394283952.db2.gz YCNSTHCKQQDNFR-QWRGUYRKSA-N 2 0 256.340 2.613 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCOC1 ZINC000423503215 394284884 /nfs/dbraw/zinc/28/48/84/394284884.db2.gz FUCFXUFVZYDELF-USXIJHARSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cn[nH]c1 ZINC000423507568 394285345 /nfs/dbraw/zinc/28/53/45/394285345.db2.gz JONYAMVOFDRTIP-WFASDCNBSA-N 2 0 258.369 2.541 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C12CCCCC2 ZINC000423515752 394288571 /nfs/dbraw/zinc/28/85/71/394288571.db2.gz SXTUQAJIVHDLSV-XUWVNRHRSA-N 2 0 280.456 2.831 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423526456 394290287 /nfs/dbraw/zinc/29/02/87/394290287.db2.gz ZJDNRDGAHVOXQG-WWDZGPRUSA-N 2 0 293.499 2.927 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000153761369 394291661 /nfs/dbraw/zinc/29/16/61/394291661.db2.gz NHZMREKZNWHOOT-ZDUSSCGKSA-N 2 0 296.480 2.856 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423533801 394292171 /nfs/dbraw/zinc/29/21/71/394292171.db2.gz YRBRJHFUSUDUSO-QAPCUYQASA-N 2 0 288.435 2.886 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423532813 394292324 /nfs/dbraw/zinc/29/23/24/394292324.db2.gz VWQGJRCYDALBGS-KGLIPLIRSA-N 2 0 276.424 2.919 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423533802 394292451 /nfs/dbraw/zinc/29/24/51/394292451.db2.gz YRBRJHFUSUDUSO-YJBOKZPZSA-N 2 0 288.435 2.886 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423534564 394293273 /nfs/dbraw/zinc/29/32/73/394293273.db2.gz AEDAUNQWBJDINP-HZPDHXFCSA-N 2 0 280.456 2.870 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423547183 394295461 /nfs/dbraw/zinc/29/54/61/394295461.db2.gz FVZPOEAODPSWNS-HOCLYGCPSA-N 2 0 261.413 2.525 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423546095 394295738 /nfs/dbraw/zinc/29/57/38/394295738.db2.gz KENRVBSPNBVYGB-NHHFINERSA-N 3 0 293.499 2.760 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1=CCCCC1 ZINC000450598261 394296178 /nfs/dbraw/zinc/29/61/78/394296178.db2.gz JJLLXZMFUCUFQB-ZACQAIPSSA-N 2 0 278.440 2.670 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(CC)CC ZINC000423571346 394298797 /nfs/dbraw/zinc/29/87/97/394298797.db2.gz XJASEBVYQPKBNF-LSDHHAIUSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000154978463 394306595 /nfs/dbraw/zinc/30/65/95/394306595.db2.gz CWJQOBRBCSLNQI-IRXDYDNUSA-N 2 0 289.467 2.590 20 0 CFADRP CCC[C@H](O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000450651062 394309821 /nfs/dbraw/zinc/30/98/21/394309821.db2.gz KVIHDIYWIGHYKY-SFHVURJKSA-N 2 0 296.499 2.981 20 0 CFADRP CCC[C@H](O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000450714607 394323668 /nfs/dbraw/zinc/32/36/68/394323668.db2.gz HPICILBYAGLYOP-KRWDZBQOSA-N 2 0 284.488 2.981 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000450981554 394344566 /nfs/dbraw/zinc/34/45/66/394344566.db2.gz IYGWKHMTEGMEJF-SQNIBIBYSA-N 2 0 293.499 2.808 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157378949 394344632 /nfs/dbraw/zinc/34/46/32/394344632.db2.gz NJCKFELVKQGSAL-MSOLQXFVSA-N 2 0 287.451 2.985 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000451004955 394346227 /nfs/dbraw/zinc/34/62/27/394346227.db2.gz QYMMARDEUZJOSV-KURKYZTESA-N 2 0 293.499 2.808 20 0 CFADRP CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000451273624 394372269 /nfs/dbraw/zinc/37/22/69/394372269.db2.gz VYLCWCHZSZQGDF-WMZOPIPTSA-N 2 0 299.418 2.774 20 0 CFADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccn1 ZINC000527634784 394393404 /nfs/dbraw/zinc/39/34/04/394393404.db2.gz QSWZWZJZUXHHKU-UHFFFAOYSA-N 2 0 269.392 2.741 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)[C@H](C)C1 ZINC000453293638 394382916 /nfs/dbraw/zinc/38/29/16/394382916.db2.gz PMZLCCFHUWSMSJ-IIAWOOMASA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453390070 394394668 /nfs/dbraw/zinc/39/46/68/394394668.db2.gz CVYUAMUBWMVRDC-BPLDGKMQSA-N 2 0 268.445 2.510 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527644135 394394682 /nfs/dbraw/zinc/39/46/82/394394682.db2.gz FVFTYDKQNNOOOA-HNNXBMFYSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000453388123 394394933 /nfs/dbraw/zinc/39/49/33/394394933.db2.gz FROFRDJOVUEXQE-ULQDDVLXSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC2)[C@H](C)C1 ZINC000178332307 394387364 /nfs/dbraw/zinc/38/73/64/394387364.db2.gz CPRDGJRZUJDKCG-HLLBOEOZSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000178410344 394388037 /nfs/dbraw/zinc/38/80/37/394388037.db2.gz OPAJGJNQCAGZJF-GOSISDBHSA-N 2 0 290.451 2.710 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393301 394395702 /nfs/dbraw/zinc/39/57/02/394395702.db2.gz FVPUUSSGGAKQTJ-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+]CCCC[NH+](C)C)CC2 ZINC000280088347 542894108 /nfs/dbraw/zinc/89/41/08/542894108.db2.gz MEHCKZXJEFFSHQ-OAHLLOKOSA-N 2 0 292.423 2.623 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453398513 394396614 /nfs/dbraw/zinc/39/66/14/394396614.db2.gz KPAHVKGZPJHHSC-GFCCVEGCSA-N 2 0 265.376 2.746 20 0 CFADRP COC(=O)c1coc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453408847 394399046 /nfs/dbraw/zinc/39/90/46/394399046.db2.gz TYDPRJWFMMEZKO-LBPRGKRZSA-N 2 0 294.395 2.591 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cncc(F)c1 ZINC000453409489 394399174 /nfs/dbraw/zinc/39/91/74/394399174.db2.gz UJUDMBNDQFTFCE-GFCCVEGCSA-N 2 0 265.376 2.746 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453411678 394399739 /nfs/dbraw/zinc/39/97/39/394399739.db2.gz VYHXZQLEIQCZRR-AWEZNQCLSA-N 2 0 261.413 2.915 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCC[C@H]1CCF)C1CC1 ZINC000453411508 394399801 /nfs/dbraw/zinc/39/98/01/394399801.db2.gz VPBDYFWEWXIGLX-ZFWWWQNUSA-N 2 0 256.409 2.979 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOC(C)(C)CC)[C@H](C)C1 ZINC000453414185 394400112 /nfs/dbraw/zinc/40/01/12/394400112.db2.gz STIRMMVAEQKWRG-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685458028 542916473 /nfs/dbraw/zinc/91/64/73/542916473.db2.gz XZFWGJKFHVCFTF-NVXWUHKLSA-N 2 0 295.515 2.769 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000685463400 542919261 /nfs/dbraw/zinc/91/92/61/542919261.db2.gz TXOIYJZOCBCULG-RCCFBDPRSA-N 2 0 270.420 2.789 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)CC2 ZINC000528002333 394437650 /nfs/dbraw/zinc/43/76/50/394437650.db2.gz PXLBLRAHHHQBIK-AEFFLSMTSA-N 2 0 299.462 2.936 20 0 CFADRP CC(C)n1cncc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529668757 394418898 /nfs/dbraw/zinc/41/88/98/394418898.db2.gz MUBXHHWBYHLVRU-UHFFFAOYSA-N 2 0 297.406 2.690 20 0 CFADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000529668203 394419009 /nfs/dbraw/zinc/41/90/09/394419009.db2.gz DTMQEWIVFKHCKJ-SJORKVTESA-N 2 0 289.423 2.596 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC23CC3)[C@@H](C)C1 ZINC000527866903 394419041 /nfs/dbraw/zinc/41/90/41/394419041.db2.gz QKFJZHVHZRDFSM-HZMVEIRTSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000529670598 394419444 /nfs/dbraw/zinc/41/94/44/394419444.db2.gz VDGZJXOGIQYOJV-RHSMWYFYSA-N 2 0 288.435 2.930 20 0 CFADRP CCC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)OCC ZINC000527930804 394427608 /nfs/dbraw/zinc/42/76/08/394427608.db2.gz LITHENGVUOOVMG-KFWWJZLASA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(CO)c1 ZINC000528012088 394439078 /nfs/dbraw/zinc/43/90/78/394439078.db2.gz NQSOAPYKYNVFNX-RDTXWAMCSA-N 2 0 288.435 2.846 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCOC2)c2ccccc21 ZINC000530207255 394479956 /nfs/dbraw/zinc/47/99/56/394479956.db2.gz CUEAWCXOHPVYDN-MAZHCROVSA-N 2 0 260.381 2.538 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530213525 394482721 /nfs/dbraw/zinc/48/27/21/394482721.db2.gz ADNCFOBDHZHUPA-GDBMZVCRSA-N 2 0 273.424 2.667 20 0 CFADRP COCCC1CC[NH+]([C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000530214914 394482989 /nfs/dbraw/zinc/48/29/89/394482989.db2.gz YXEZVGGMRDFJPW-AWEZNQCLSA-N 2 0 291.439 2.658 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000530218013 394485037 /nfs/dbraw/zinc/48/50/37/394485037.db2.gz DDRIQJAUHAYGPA-LRDDRELGSA-N 2 0 289.398 2.888 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000530218015 394485441 /nfs/dbraw/zinc/48/54/41/394485441.db2.gz DDRIQJAUHAYGPA-WBMJQRKESA-N 2 0 289.398 2.888 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2n1 ZINC000530221688 394488215 /nfs/dbraw/zinc/48/82/15/394488215.db2.gz XDIORQLTIKYNPY-GVDBMIGSSA-N 2 0 298.434 2.584 20 0 CFADRP FC(F)(F)c1ncccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000530224735 394490320 /nfs/dbraw/zinc/49/03/20/394490320.db2.gz XQKLRWBEXNSYBM-UHFFFAOYSA-N 2 0 299.340 2.676 20 0 CFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530227535 394492089 /nfs/dbraw/zinc/49/20/89/394492089.db2.gz YTBAPQLFTPMPAO-JPIPQLAVSA-N 2 0 260.381 2.533 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C2CC2)cn1 ZINC000528042115 394441777 /nfs/dbraw/zinc/44/17/77/394441777.db2.gz DAOJYQGYYGSVBG-SRCQZFHVSA-N 2 0 289.423 2.614 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CN(C)C[C@H]2C)c(C)c1 ZINC000536829400 394571859 /nfs/dbraw/zinc/57/18/59/394571859.db2.gz YYYARIHWSBXSPJ-NVXWUHKLSA-N 2 0 260.425 2.694 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000530549494 394528188 /nfs/dbraw/zinc/52/81/88/394528188.db2.gz IPDHYNPYPMYFCY-SFHVURJKSA-N 2 0 296.499 2.980 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1cccs1 ZINC000539067365 394622025 /nfs/dbraw/zinc/62/20/25/394622025.db2.gz SANTVDSTMBCFJW-GXTWGEPZSA-N 2 0 252.427 2.611 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000539651945 394630067 /nfs/dbraw/zinc/63/00/67/394630067.db2.gz ZYCCZNWEDHRIEH-HOCLYGCPSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000543636359 394736654 /nfs/dbraw/zinc/73/66/54/394736654.db2.gz HVHARJWAMUZUGB-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000543636352 394736747 /nfs/dbraw/zinc/73/67/47/394736747.db2.gz HVHARJWAMUZUGB-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1CC[N@H+](CCNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000543768767 394743566 /nfs/dbraw/zinc/74/35/66/394743566.db2.gz URSHTXDNTKYYOT-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H](CCC1CC1)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000546009920 394814852 /nfs/dbraw/zinc/81/48/52/394814852.db2.gz ZSCOKBQZUORJQZ-CQSZACIVSA-N 2 0 288.439 2.824 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000546626568 394833694 /nfs/dbraw/zinc/83/36/94/394833694.db2.gz FTDFLNWTYHUKFJ-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)(C)c1ccc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000685838998 542949098 /nfs/dbraw/zinc/94/90/98/542949098.db2.gz DXRRZPFVBLAYGM-HZPDHXFCSA-N 2 0 272.436 2.678 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000166191772 542961988 /nfs/dbraw/zinc/96/19/88/542961988.db2.gz LAYZLALLAJFMTM-KZNAEPCWSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000547829911 394894250 /nfs/dbraw/zinc/89/42/50/394894250.db2.gz IRKSJJOOEXNBMP-SNVBAGLBSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000555759729 394982285 /nfs/dbraw/zinc/98/22/85/394982285.db2.gz QZZUAJOSUXUMIS-GJZGRUSLSA-N 2 0 296.480 2.770 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000556782347 395015064 /nfs/dbraw/zinc/01/50/64/395015064.db2.gz IQZUWSOEUDKCTK-HUUCEWRRSA-N 2 0 264.413 2.922 20 0 CFADRP CN(CCC[NH+](C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000558416227 395059602 /nfs/dbraw/zinc/05/96/02/395059602.db2.gz NHVFYCVKYHYTDC-UHFFFAOYSA-N 2 0 290.329 2.811 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000570624351 395085313 /nfs/dbraw/zinc/08/53/13/395085313.db2.gz BSSFFZKWGBWZAQ-GHMZBOCLSA-N 2 0 272.339 2.546 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)C1 ZINC000557265627 395033565 /nfs/dbraw/zinc/03/35/65/395033565.db2.gz DKSDNHOWSWRKFO-XYVMCAHJSA-N 2 0 294.483 2.923 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648428433 395139636 /nfs/dbraw/zinc/13/96/36/395139636.db2.gz OSEUOVFSYYMIGN-MAUKXSAKSA-N 2 0 272.436 2.865 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648448280 395147668 /nfs/dbraw/zinc/14/76/68/395147668.db2.gz YNNNHTPUTPTUJQ-UHFFFAOYSA-N 2 0 293.798 2.913 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCO1 ZINC000648483962 395168348 /nfs/dbraw/zinc/16/83/48/395168348.db2.gz WCLADAXKXLISTN-QDIHITRGSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000648484827 395169552 /nfs/dbraw/zinc/16/95/52/395169552.db2.gz HFTQESGTYDUUFU-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP C1CCC([N@@H+]2CCC[C@H]2c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000647145656 395175754 /nfs/dbraw/zinc/17/57/54/395175754.db2.gz BCWZAKKCOZYRIV-OLZOCXBDSA-N 2 0 276.384 2.574 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CO1 ZINC000647168895 395195065 /nfs/dbraw/zinc/19/50/65/395195065.db2.gz QEXYIBOEXKIVDH-CRAIPNDOSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000647168752 395195142 /nfs/dbraw/zinc/19/51/42/395195142.db2.gz KHLNHMSBSWJISG-PBHICJAKSA-N 2 0 274.408 2.549 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000648563408 395199416 /nfs/dbraw/zinc/19/94/16/395199416.db2.gz SPIXGCBDKKTFNV-SLTXQBBLSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CO1 ZINC000647177121 395201732 /nfs/dbraw/zinc/20/17/32/395201732.db2.gz LVYRLUAECXJFPD-UKRRQHHQSA-N 2 0 294.464 2.727 20 0 CFADRP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCCc3ccccc3C1)CC2 ZINC000648591564 395208876 /nfs/dbraw/zinc/20/88/76/395208876.db2.gz JMCXKERJUJXCQY-HZPDHXFCSA-N 2 0 281.403 2.804 20 0 CFADRP FC(F)OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000648817860 395325234 /nfs/dbraw/zinc/32/52/34/395325234.db2.gz DVFNYCCEXAEZIQ-CEUNDQEZSA-N 2 0 288.382 2.753 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000648744776 395295565 /nfs/dbraw/zinc/29/55/65/395295565.db2.gz PMSUOVZHLCJTEF-SJORKVTESA-N 2 0 284.488 2.740 20 0 CFADRP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000647337458 395300567 /nfs/dbraw/zinc/30/05/67/395300567.db2.gz PJYDNYZZPGXLAB-HIFRSBDPSA-N 2 0 270.461 2.636 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343950 395306268 /nfs/dbraw/zinc/30/62/68/395306268.db2.gz GILUYSHHHKVBRV-JQHSSLGASA-N 2 0 290.451 2.737 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000647255539 395260169 /nfs/dbraw/zinc/26/01/69/395260169.db2.gz DNZGTCFPYPPFEM-YESZJQIVSA-N 2 0 288.435 2.905 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479282 395353464 /nfs/dbraw/zinc/35/34/64/395353464.db2.gz AMHMXCPFIVGTDJ-MSOLQXFVSA-N 2 0 287.451 2.787 20 0 CFADRP CC[C@@H](C)Oc1cc(C[N@H+](C)CCC[NH3+])ccc1OC ZINC000647497420 395360668 /nfs/dbraw/zinc/36/06/68/395360668.db2.gz GYELMFJLDKRXPY-CYBMUJFWSA-N 2 0 280.412 2.653 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647497506 395360770 /nfs/dbraw/zinc/36/07/70/395360770.db2.gz JPGNWZUAGCKIRQ-NVXWUHKLSA-N 2 0 276.424 2.905 20 0 CFADRP C[N@H+](Cc1cccc2cnccc21)CC(C)(C)C[NH3+] ZINC000647505629 395365968 /nfs/dbraw/zinc/36/59/68/395365968.db2.gz NBKVUSPXQIMKOJ-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000647516317 395370400 /nfs/dbraw/zinc/37/04/00/395370400.db2.gz FUKKPPLJMUPNKC-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP COc1cccc(CC2CC[NH+](CC(C)(C)[NH3+])CC2)c1 ZINC000647518399 395372353 /nfs/dbraw/zinc/37/23/53/395372353.db2.gz GVVDAHBZMMSPDO-UHFFFAOYSA-N 2 0 276.424 2.687 20 0 CFADRP COc1ccc(C[C@H](C)C[NH+]2CCC(C)([NH3+])CC2)cc1F ZINC000647530973 395374764 /nfs/dbraw/zinc/37/47/64/395374764.db2.gz SEVJZFIJGRCQHA-ZDUSSCGKSA-N 2 0 294.414 2.826 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000647530697 395374771 /nfs/dbraw/zinc/37/47/71/395374771.db2.gz AIUMXIYCZWTDLW-UHFFFAOYSA-N 2 0 254.324 2.937 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cnc2ccccn12)CC1CCCC1 ZINC000647541407 395382927 /nfs/dbraw/zinc/38/29/27/395382927.db2.gz WCGWLDOTTHUOJY-UHFFFAOYSA-N 2 0 286.423 2.675 20 0 CFADRP Cc1noc(C)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543753 395385535 /nfs/dbraw/zinc/38/55/35/395385535.db2.gz RQWIUUFHRCZUOX-CABCVRRESA-N 2 0 277.412 2.503 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C(C)(C)C ZINC000647545804 395385854 /nfs/dbraw/zinc/38/58/54/395385854.db2.gz XCNGKDBEEDGMGJ-KFWWJZLASA-N 2 0 252.446 2.990 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647547373 395386856 /nfs/dbraw/zinc/38/68/56/395386856.db2.gz UPFWHPCZZCDPJW-SZXPJGKVSA-N 2 0 285.435 2.624 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2c(c1)NCCC2 ZINC000647547754 395387056 /nfs/dbraw/zinc/38/70/56/395387056.db2.gz CDALWPLGPCOJOW-FVQBIDKESA-N 2 0 285.435 2.522 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647548487 395387080 /nfs/dbraw/zinc/38/70/80/395387080.db2.gz CVIQRFPVPGDTJY-YESZJQIVSA-N 2 0 294.483 2.951 20 0 CFADRP c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCCN2 ZINC000647546997 395387387 /nfs/dbraw/zinc/38/73/87/395387387.db2.gz JRUKRQVBKUAOLS-IXDOHACOSA-N 2 0 285.435 2.522 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000647549532 395387959 /nfs/dbraw/zinc/38/79/59/395387959.db2.gz GDEZNSFFCHHHGV-SOUVJXGZSA-N 2 0 262.372 2.612 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549247 395388050 /nfs/dbraw/zinc/38/80/50/395388050.db2.gz PAGAEHDNBVDLQO-YLFCFFPRSA-N 2 0 288.435 2.740 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc2n1 ZINC000647552033 395390468 /nfs/dbraw/zinc/39/04/68/395390468.db2.gz BJUPJANGCZJIHR-AAEUAGOBSA-N 2 0 257.381 2.759 20 0 CFADRP Fc1ccccc1C1([NH2+]CC2CC[NH2+]CC2)CCC1 ZINC000647553013 395391707 /nfs/dbraw/zinc/39/17/07/395391707.db2.gz MSOUBMVPPRBHKL-UHFFFAOYSA-N 2 0 262.372 2.794 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647870050 395448407 /nfs/dbraw/zinc/44/84/07/395448407.db2.gz BYWODUWNSYFQJP-ZDUSSCGKSA-N 2 0 272.396 2.731 20 0 CFADRP Clc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647874975 395448927 /nfs/dbraw/zinc/44/89/27/395448927.db2.gz OEHFJUZBGCGDOX-ZDUSSCGKSA-N 2 0 264.800 2.914 20 0 CFADRP Oc1ccc(CCC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874398 395449256 /nfs/dbraw/zinc/44/92/56/395449256.db2.gz RDUAOGWWTXLIAB-QGZVFWFLSA-N 2 0 288.435 2.646 20 0 CFADRP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000647881581 395451357 /nfs/dbraw/zinc/45/13/57/395451357.db2.gz NWRFWICOLPNZLT-YJBOKZPZSA-N 2 0 272.436 2.865 20 0 CFADRP C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H]1CC[NH2+]C1 ZINC000647882836 395451395 /nfs/dbraw/zinc/45/13/95/395451395.db2.gz DYLSYHQKITYUNN-OAHLLOKOSA-N 2 0 299.418 2.816 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1c1ccccc1 ZINC000647889344 395453011 /nfs/dbraw/zinc/45/30/11/395453011.db2.gz IJURTHVWYLBMGP-INMHGKMJSA-N 2 0 258.409 2.722 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000647888104 395453699 /nfs/dbraw/zinc/45/36/99/395453699.db2.gz MMISYJZQVLEFOC-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP c1ccc2c(c1)CCC[C@@]21CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647890722 395454385 /nfs/dbraw/zinc/45/43/85/395454385.db2.gz JVDHUEWLRVRDDO-LPHOPBHVSA-N 2 0 284.447 2.966 20 0 CFADRP COc1cccc2c1CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647989065 395473748 /nfs/dbraw/zinc/47/37/48/395473748.db2.gz DBNCCQHFNFSKDG-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP Cc1cccc(C)c1OCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924864 395459323 /nfs/dbraw/zinc/45/93/23/395459323.db2.gz RSQSVHUIOGSUED-UHFFFAOYSA-N 2 0 276.424 2.886 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647925618 395459377 /nfs/dbraw/zinc/45/93/77/395459377.db2.gz QFHHWKPKIAYAKV-UHFFFAOYSA-N 2 0 262.397 2.577 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@H]1[NH3+] ZINC000647934596 395460816 /nfs/dbraw/zinc/46/08/16/395460816.db2.gz KBPRDAXYQXWWLG-GDBMZVCRSA-N 2 0 264.388 2.818 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647934311 395460939 /nfs/dbraw/zinc/46/09/39/395460939.db2.gz ADPKUORTLOEAOI-JSGCOSHPSA-N 2 0 264.438 2.968 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647936571 395461575 /nfs/dbraw/zinc/46/15/75/395461575.db2.gz HHKRHCUBLTUHOF-WBVHZDCISA-N 2 0 276.424 2.687 20 0 CFADRP C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)OC1CCCCCC1 ZINC000647956245 395464788 /nfs/dbraw/zinc/46/47/88/395464788.db2.gz GHPPEDQYPJEFBA-KRWDZBQOSA-N 2 0 280.456 2.801 20 0 CFADRP Cc1cccc([C@H]2CCCN2C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000647960140 395466473 /nfs/dbraw/zinc/46/64/73/395466473.db2.gz HXPPAKCXPIMUBM-QZTJIDSGSA-N 2 0 290.451 2.833 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC1CCCCC1)C1CC1 ZINC000647960012 395466653 /nfs/dbraw/zinc/46/66/53/395466653.db2.gz ZNTMMKNVJTWEGO-QGZVFWFLSA-N 2 0 282.472 2.732 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978593 395471385 /nfs/dbraw/zinc/47/13/85/395471385.db2.gz VGAHUBWPNSIFKI-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976855 395471460 /nfs/dbraw/zinc/47/14/60/395471460.db2.gz VGUDWNMBXBRXNT-CVEARBPZSA-N 2 0 268.445 2.515 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978592 395471766 /nfs/dbraw/zinc/47/17/66/395471766.db2.gz VGAHUBWPNSIFKI-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647977653 395471790 /nfs/dbraw/zinc/47/17/90/395471790.db2.gz FTQLOCFKSYFLPZ-MSOLQXFVSA-N 2 0 287.451 2.726 20 0 CFADRP c1ccc(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788734 395428850 /nfs/dbraw/zinc/42/88/50/395428850.db2.gz PNBGYSIMBCOEEY-FGTMMUONSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788768 395428865 /nfs/dbraw/zinc/42/88/65/395428865.db2.gz QEYPGLREKONXFY-IXDOHACOSA-N 2 0 288.435 2.742 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)nc21 ZINC000647788178 395428880 /nfs/dbraw/zinc/42/88/80/395428880.db2.gz DJDCKXCTAQXXLG-RRFJBIMHSA-N 2 0 299.418 2.656 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647786831 395428918 /nfs/dbraw/zinc/42/89/18/395428918.db2.gz ZNTJUCVZFFYYHD-MLHJIOFPSA-N 2 0 299.462 2.633 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(F)c1 ZINC000647788877 395429022 /nfs/dbraw/zinc/42/90/22/395429022.db2.gz UIDPMGAMMHHYDG-ORIJERBGSA-N 2 0 292.398 2.571 20 0 CFADRP Fc1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647791656 395429620 /nfs/dbraw/zinc/42/96/20/395429620.db2.gz JRRDQQOGIPJGBL-DVOMOZLQSA-N 2 0 274.383 2.793 20 0 CFADRP Fc1cccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647791691 395429964 /nfs/dbraw/zinc/42/99/64/395429964.db2.gz KHSMZRFCBBARDY-XJKCOSOUSA-N 2 0 274.383 2.793 20 0 CFADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793250 395430180 /nfs/dbraw/zinc/43/01/80/395430180.db2.gz QKNRZTXKFGYLAB-NUTUMTGBSA-N 2 0 282.431 2.550 20 0 CFADRP Fc1ccccc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792293 395430369 /nfs/dbraw/zinc/43/03/69/395430369.db2.gz YPSSIPVKUMQWJC-HZSPNIEDSA-N 2 0 274.383 2.793 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647793047 395430467 /nfs/dbraw/zinc/43/04/67/395430467.db2.gz IYLDWNKYSQTGQH-NHIYQJMISA-N 2 0 292.423 2.507 20 0 CFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647792306 395430648 /nfs/dbraw/zinc/43/06/48/395430648.db2.gz YVWMCZXABNNSRU-UMVBOHGHSA-N 2 0 270.376 2.911 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794143 395431346 /nfs/dbraw/zinc/43/13/46/395431346.db2.gz SBKNXDIQNMMFSQ-HZSPNIEDSA-N 2 0 264.438 2.658 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647794720 395431529 /nfs/dbraw/zinc/43/15/29/395431529.db2.gz BSZFSZXCCAVMKE-JFIYKMOQSA-N 2 0 287.451 2.986 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000647796588 395431945 /nfs/dbraw/zinc/43/19/45/395431945.db2.gz FVCYXASUQCWQIM-OWCLPIDISA-N 2 0 283.419 2.688 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795910 395432021 /nfs/dbraw/zinc/43/20/21/395432021.db2.gz ZJIMTXGQSJXNSJ-LPWJVIDDSA-N 2 0 278.362 2.941 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978843 395472188 /nfs/dbraw/zinc/47/21/88/395472188.db2.gz ZEIMXOHWWQGVEW-LSDHHAIUSA-N 2 0 291.439 2.757 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000647797122 395433010 /nfs/dbraw/zinc/43/30/10/395433010.db2.gz ZMENFYSELXETLI-IZKTWJBDSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000647800465 395433854 /nfs/dbraw/zinc/43/38/54/395433854.db2.gz BPNQAMDJJNMLCG-CHWSQXEVSA-N 2 0 280.437 2.647 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CC(F)F ZINC000647801206 395434285 /nfs/dbraw/zinc/43/42/85/395434285.db2.gz QYJHGFIQZGWJRY-OUCADQQQSA-N 2 0 270.367 2.826 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CC(F)F ZINC000647801205 395434309 /nfs/dbraw/zinc/43/43/09/395434309.db2.gz QYJHGFIQZGWJRY-OBJOEFQTSA-N 2 0 270.367 2.826 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800659 395434393 /nfs/dbraw/zinc/43/43/93/395434393.db2.gz IOYSXLDUDOHHMA-HZMVEIRTSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800789 395434641 /nfs/dbraw/zinc/43/46/41/395434641.db2.gz KMKJRLVXNFRMJO-RKTXRCNFSA-N 2 0 258.409 2.768 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000647801147 395434750 /nfs/dbraw/zinc/43/47/50/395434750.db2.gz PKEBZRDUJOBBHS-IBHBGHMQSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000647801599 395434795 /nfs/dbraw/zinc/43/47/95/395434795.db2.gz YXBAHENKOUIADV-DZUCGIPZSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(c2ccccc2F)CCC1 ZINC000647802431 395435563 /nfs/dbraw/zinc/43/55/63/395435563.db2.gz LJXJFOTXQQXHBV-NEPJUHHUSA-N 2 0 250.361 2.920 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000647804496 395436901 /nfs/dbraw/zinc/43/69/01/395436901.db2.gz SKDCROPMUQRWID-INIZCTEOSA-N 2 0 276.424 2.718 20 0 CFADRP COc1ccccc1CCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814731 395439162 /nfs/dbraw/zinc/43/91/62/395439162.db2.gz BVLWEDWDBJICGJ-UHFFFAOYSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072353 395497119 /nfs/dbraw/zinc/49/71/19/395497119.db2.gz ZKXVEHUVGFPJMS-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)C1CC[NH+](C)CC1 ZINC000037221373 543027689 /nfs/dbraw/zinc/02/76/89/543027689.db2.gz BFPAHHYFPYONEH-DZGCQCFKSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CO)CCC3)CC2)C1 ZINC000183234205 543036261 /nfs/dbraw/zinc/03/62/61/543036261.db2.gz BKNAJCOSENFHDP-RDJZCZTQSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CO)CCC3)CC2)C1 ZINC000183234243 543036431 /nfs/dbraw/zinc/03/64/31/543036431.db2.gz BKNAJCOSENFHDP-DOTOQJQBSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@@H]1SCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000311599352 413088672 /nfs/dbraw/zinc/08/86/72/413088672.db2.gz CEPYLGGDZAYQMY-SWLSCSKDSA-N 2 0 277.437 2.534 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000311680687 413088691 /nfs/dbraw/zinc/08/86/91/413088691.db2.gz ITZHSAIBSQREDQ-IRXDYDNUSA-N 2 0 258.409 2.810 20 0 CFADRP C[C@H]([NH2+][C@H]1CC2CCC1CC2)C1CC[NH+](C)CC1 ZINC000386821953 543102594 /nfs/dbraw/zinc/10/25/94/543102594.db2.gz PFWSREDDHQXLPF-QTISTPMNSA-N 2 0 250.430 2.885 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000309858517 292076841 /nfs/dbraw/zinc/07/68/41/292076841.db2.gz GGBSUMWKQZXTKJ-OAHLLOKOSA-N 2 0 278.440 2.912 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000340518376 292077148 /nfs/dbraw/zinc/07/71/48/292077148.db2.gz SHNUWMFJZYFNLA-UONOGXRCSA-N 2 0 256.434 2.654 20 0 CFADRP c1ccc2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CCO2 ZINC000317305733 413103680 /nfs/dbraw/zinc/10/36/80/413103680.db2.gz AWXKICCMAZBBJW-UHFFFAOYSA-N 2 0 294.398 2.727 20 0 CFADRP OCC[NH+]1CCC(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000340232532 296544868 /nfs/dbraw/zinc/54/48/68/296544868.db2.gz GADMDNUMRDERBI-KRWDZBQOSA-N 2 0 294.483 2.783 20 0 CFADRP CC1(C)C(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000401046654 413160275 /nfs/dbraw/zinc/16/02/75/413160275.db2.gz WEWPHDFPOPICDN-YNEHKIRRSA-N 2 0 250.430 2.646 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC1CCCC1 ZINC000401012804 413160490 /nfs/dbraw/zinc/16/04/90/413160490.db2.gz HQVLTSZJORVBJB-BZUAXINKSA-N 2 0 250.430 2.935 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400999541 413161071 /nfs/dbraw/zinc/16/10/71/413161071.db2.gz LXFDFHNOJVRWIH-UMVBOHGHSA-N 2 0 264.800 2.818 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)COC1CCCCC1 ZINC000401049869 413161381 /nfs/dbraw/zinc/16/13/81/413161381.db2.gz XQNJIJVBUFUQKQ-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401021345 413159529 /nfs/dbraw/zinc/15/95/29/413159529.db2.gz KZQWBOPHEJKIOM-RBGFHDKUSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423242893 292110362 /nfs/dbraw/zinc/11/03/62/292110362.db2.gz WAXIBMVSVHQWOP-IRXDYDNUSA-N 2 0 258.409 2.658 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCCCC1 ZINC000335752815 292112969 /nfs/dbraw/zinc/11/29/69/292112969.db2.gz QWHZNXGFQXCUKM-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423155554 292117347 /nfs/dbraw/zinc/11/73/47/292117347.db2.gz QSMIVKIIBVGLCC-HOTGVXAUSA-N 2 0 264.388 2.926 20 0 CFADRP c1cc2c(cc[nH+]c2NC2CC[NH+](C3CC3)CC2)[nH]1 ZINC000663370324 413166531 /nfs/dbraw/zinc/16/65/31/413166531.db2.gz JNADWTVGUWUYFF-UHFFFAOYSA-N 2 0 256.353 2.602 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000047719072 397587661 /nfs/dbraw/zinc/58/76/61/397587661.db2.gz LVBDPFIIYMJQAY-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000394013062 397547224 /nfs/dbraw/zinc/54/72/24/397547224.db2.gz ARBJEIRJKZEXLI-INIZCTEOSA-N 2 0 262.397 2.646 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC000402627614 413172416 /nfs/dbraw/zinc/17/24/16/413172416.db2.gz XDHOLWQWGYTCEV-ZDEQEGDKSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@@H](C[NH+]1CCCCC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663386476 413173045 /nfs/dbraw/zinc/17/30/45/413173045.db2.gz BENHNFNYJZGTHB-LBPRGKRZSA-N 2 0 258.369 2.849 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccncc1 ZINC000650755551 397884654 /nfs/dbraw/zinc/88/46/54/397884654.db2.gz HKVFJXJPELGSLW-MRXNPFEDSA-N 2 0 273.355 2.920 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH2+]C)C1(C)C ZINC000650757991 397885325 /nfs/dbraw/zinc/88/53/25/397885325.db2.gz GKBBHKKCOYPWJI-CVEARBPZSA-N 2 0 276.424 2.699 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650762533 397887343 /nfs/dbraw/zinc/88/73/43/397887343.db2.gz CYYOMAFPHGYHNV-HOTGVXAUSA-N 2 0 282.472 2.805 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC000650705649 397860554 /nfs/dbraw/zinc/86/05/54/397860554.db2.gz PAQYIINPPLJOGL-ZMSDIMECSA-N 2 0 292.398 2.544 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000650763256 397887785 /nfs/dbraw/zinc/88/77/85/397887785.db2.gz VWXNKQKOZMFARA-ZACQAIPSSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000650763110 397887797 /nfs/dbraw/zinc/88/77/97/397887797.db2.gz RIJHOYKOPMMBSG-CYBMUJFWSA-N 2 0 286.423 2.614 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCC1CC[NH2+]CC1)CCC2 ZINC000650763485 397887804 /nfs/dbraw/zinc/88/78/04/397887804.db2.gz BKZNSLAHNAJGNV-CYBMUJFWSA-N 2 0 279.453 2.808 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763259 397887836 /nfs/dbraw/zinc/88/78/36/397887836.db2.gz VXVMWFJDUWGBED-HNNXBMFYSA-N 2 0 280.362 2.931 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(C)(C)C ZINC000650707752 397861825 /nfs/dbraw/zinc/86/18/25/397861825.db2.gz MILFNCHOCACHJZ-QKPAOTATSA-N 2 0 282.472 2.887 20 0 CFADRP CC[C@@H](OCC[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000650710675 397863172 /nfs/dbraw/zinc/86/31/72/397863172.db2.gz WRNUVTVAFQFVBW-DLBZAZTESA-N 2 0 276.424 2.886 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650711928 397863837 /nfs/dbraw/zinc/86/38/37/397863837.db2.gz JIQWZOYKYVOFOP-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2scnc2C2CC2)[C@H]1CC[NH3+] ZINC000650711806 397864230 /nfs/dbraw/zinc/86/42/30/397864230.db2.gz FBNAJYZIZISMRT-AAEUAGOBSA-N 2 0 279.453 2.970 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Br)s2)CC1 ZINC000650712207 397864493 /nfs/dbraw/zinc/86/44/93/397864493.db2.gz WKOFRLSWBKNRNB-UHFFFAOYSA-N 2 0 289.242 2.729 20 0 CFADRP COc1ccc2oc(C[NH2+]CCC3(C[NH3+])CC3)cc2c1 ZINC000650713074 397864496 /nfs/dbraw/zinc/86/44/96/397864496.db2.gz DIADVKNWEZVZRV-UHFFFAOYSA-N 2 0 274.364 2.660 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000650712519 397864731 /nfs/dbraw/zinc/86/47/31/397864731.db2.gz HWVNANYFJNQHMI-UHFFFAOYSA-N 2 0 281.403 2.967 20 0 CFADRP Cc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc2cccnc12 ZINC000650713075 397864778 /nfs/dbraw/zinc/86/47/78/397864778.db2.gz DJFITRHUWKKNNE-UHFFFAOYSA-N 2 0 269.392 2.762 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCC2(C[NH3+])CC2)C[C@@H]1c1ccccc1 ZINC000650713332 397865036 /nfs/dbraw/zinc/86/50/36/397865036.db2.gz PDRRRNZNCHHFNU-BPUTZDHNSA-N 2 0 258.409 2.897 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000650714005 397865545 /nfs/dbraw/zinc/86/55/45/397865545.db2.gz MPFLHNLDSUPZSE-UHFFFAOYSA-N 2 0 254.324 2.843 20 0 CFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650716656 397866482 /nfs/dbraw/zinc/86/64/82/397866482.db2.gz FZYDRVNTGKUKTF-NSHDSACASA-N 2 0 250.361 2.953 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000650715639 397866495 /nfs/dbraw/zinc/86/64/95/397866495.db2.gz GINBATFGVCOSEC-INIZCTEOSA-N 2 0 287.451 2.876 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2NCC3)c(F)c1 ZINC000650717431 397867312 /nfs/dbraw/zinc/86/73/12/397867312.db2.gz AEQWFJWDFPJBMI-UHFFFAOYSA-N 2 0 285.366 2.542 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C[NH3+])cc1F ZINC000650717131 397867479 /nfs/dbraw/zinc/86/74/79/397867479.db2.gz SHIQZHNVJYWYBD-XJKSGUPXSA-N 2 0 293.430 2.685 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650718035 397868134 /nfs/dbraw/zinc/86/81/34/397868134.db2.gz VMRJCFKENXTIOH-KNXALSJPSA-N 2 0 292.398 2.578 20 0 CFADRP Cc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650718588 397868283 /nfs/dbraw/zinc/86/82/83/397868283.db2.gz RQUWOSBNYWRWBT-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1OC ZINC000650718710 397868470 /nfs/dbraw/zinc/86/84/70/397868470.db2.gz UPGKIDCBMQNGSC-UHFFFAOYSA-N 2 0 270.376 2.704 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1sccc1OC ZINC000650719639 397869164 /nfs/dbraw/zinc/86/91/64/397869164.db2.gz XCHKJYOEYLFZIZ-UHFFFAOYSA-N 2 0 276.405 2.766 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650720789 397869230 /nfs/dbraw/zinc/86/92/30/397869230.db2.gz ALADZQQNSZWZFF-JKSUJKDBSA-N 2 0 275.440 2.766 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000650719517 397869258 /nfs/dbraw/zinc/86/92/58/397869258.db2.gz SGSUQGLXVMXFRG-UHFFFAOYSA-N 2 0 294.402 2.583 20 0 CFADRP COc1nc2ccccc2cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000650721368 397870640 /nfs/dbraw/zinc/87/06/40/397870640.db2.gz BOXDLLFBQJKUNV-UHFFFAOYSA-N 2 0 299.418 2.804 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763600 397888591 /nfs/dbraw/zinc/88/85/91/397888591.db2.gz FEBNRGOCUWGCRQ-ZDUSSCGKSA-N 2 0 250.386 2.580 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650763611 397888658 /nfs/dbraw/zinc/88/86/58/397888658.db2.gz FMNUVGIQMUASGJ-INIZCTEOSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740793 397874405 /nfs/dbraw/zinc/87/44/05/397874405.db2.gz RIHNBCRUEJJXKL-OLZOCXBDSA-N 2 0 264.388 2.963 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[NH2+]CC[C@H]1C)C1CCCCC1 ZINC000650742444 397876541 /nfs/dbraw/zinc/87/65/41/397876541.db2.gz YFWHQLRUZYJUFF-WBVHZDCISA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)cc(F)c1 ZINC000650743597 397877256 /nfs/dbraw/zinc/87/72/56/397877256.db2.gz XGSUTNVNSPTLAI-SNVBAGLBSA-N 2 0 254.324 2.744 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2ccnc2)cc1 ZINC000650743389 397877571 /nfs/dbraw/zinc/87/75/71/397877571.db2.gz SDNXPHGIBCMLOD-AWEZNQCLSA-N 2 0 284.407 2.652 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744338 397878391 /nfs/dbraw/zinc/87/83/91/397878391.db2.gz LRPFEJPRNZJZDT-ZDUSSCGKSA-N 2 0 262.397 2.783 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744060 397878397 /nfs/dbraw/zinc/87/83/97/397878397.db2.gz FHQUHVUQPFBLOE-ZIAGYGMSSA-N 2 0 276.424 2.906 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1F ZINC000650745780 397878933 /nfs/dbraw/zinc/87/89/33/397878933.db2.gz NQWZJEOWSQALIG-AWEZNQCLSA-N 2 0 250.361 2.995 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C12CCCCC2 ZINC000650745961 397879043 /nfs/dbraw/zinc/87/90/43/397879043.db2.gz SFPUPKOWTPCTDY-GJZGRUSLSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000650746051 397879535 /nfs/dbraw/zinc/87/95/35/397879535.db2.gz VAGJDBOFIVZCHX-HNNXBMFYSA-N 2 0 262.372 2.995 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650754946 397883573 /nfs/dbraw/zinc/88/35/73/397883573.db2.gz VLINFXSALGCTGZ-HZPDHXFCSA-N 2 0 292.398 2.722 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754375 397883579 /nfs/dbraw/zinc/88/35/79/397883579.db2.gz HMSFQKXBKQYILP-LBPRGKRZSA-N 2 0 273.355 2.839 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650754863 397883609 /nfs/dbraw/zinc/88/36/09/397883609.db2.gz TYKLPVVGBWVTEW-GFCCVEGCSA-N 2 0 273.355 2.839 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650754944 397883650 /nfs/dbraw/zinc/88/36/50/397883650.db2.gz VLINFXSALGCTGZ-CVEARBPZSA-N 2 0 292.398 2.722 20 0 CFADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CC1 ZINC000650753434 397883709 /nfs/dbraw/zinc/88/37/09/397883709.db2.gz NDLVACCPBILHLT-OAHLLOKOSA-N 2 0 250.361 2.809 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000650756198 397884568 /nfs/dbraw/zinc/88/45/68/397884568.db2.gz WISJLAOMQQYYAO-KRWDZBQOSA-N 2 0 288.435 2.845 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402811018 413175920 /nfs/dbraw/zinc/17/59/20/413175920.db2.gz KPZQIVNGLNTAIY-XEZPLFJOSA-N 2 0 262.372 2.948 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc[nH+]1 ZINC000403510619 413180582 /nfs/dbraw/zinc/18/05/82/413180582.db2.gz BVCHFNRSRXLTDH-IIAWOOMASA-N 2 0 271.408 2.829 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000422918757 296576601 /nfs/dbraw/zinc/57/66/01/296576601.db2.gz IRBYMZMMLUCZAX-OEAJRASXSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000404311964 413195569 /nfs/dbraw/zinc/19/55/69/413195569.db2.gz XCVMCUBWPHHLMV-SWLSCSKDSA-N 2 0 250.361 2.775 20 0 CFADRP CCCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660255030 413196582 /nfs/dbraw/zinc/19/65/82/413196582.db2.gz XNZGDUWKRHVNEG-HOTGVXAUSA-N 2 0 270.461 2.636 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000359002451 292153821 /nfs/dbraw/zinc/15/38/21/292153821.db2.gz OWBUZQQIHUPMBT-UWEUSHKOSA-N 2 0 282.472 2.900 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1C ZINC000404422222 413203590 /nfs/dbraw/zinc/20/35/90/413203590.db2.gz JGPMLWFUHWWQBF-MLGOLLRUSA-N 2 0 291.439 2.656 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000404436647 413204772 /nfs/dbraw/zinc/20/47/72/413204772.db2.gz RSYGOYZKKZNNAS-WBVHZDCISA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@H]1CC[NH3+] ZINC000404450112 413206832 /nfs/dbraw/zinc/20/68/32/413206832.db2.gz YJTZPBWKZHRQHT-QAPCUYQASA-N 2 0 298.434 2.822 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000356127388 155168812 /nfs/dbraw/zinc/16/88/12/155168812.db2.gz OHXUJRVXCVVJLK-RDJZCZTQSA-N 2 0 294.483 2.757 20 0 CFADRP CCO[C@@H]1C[N@@H+]([C@H](CC)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405480074 413222816 /nfs/dbraw/zinc/22/28/16/413222816.db2.gz XAZJXJZTRXTJIQ-FVQBIDKESA-N 2 0 280.387 2.572 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000663466797 413223327 /nfs/dbraw/zinc/22/33/27/413223327.db2.gz XOJSVFWIKZQDMG-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cccnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784816 413224267 /nfs/dbraw/zinc/22/42/67/413224267.db2.gz CRWCYRQLTLBSJV-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP c1cc2c(c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c1)NCC2 ZINC000656784854 413224503 /nfs/dbraw/zinc/22/45/03/413224503.db2.gz DCGLEBOHSPZYQA-QGZVFWFLSA-N 2 0 299.462 2.866 20 0 CFADRP C(C1CCCC1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783994 413223954 /nfs/dbraw/zinc/22/39/54/413223954.db2.gz XBGUIEKOAPBOPJ-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466312 413225130 /nfs/dbraw/zinc/22/51/30/413225130.db2.gz QYIFMAVVHTZXFH-MWDXBVQZSA-N 2 0 262.441 2.887 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000663465561 413225969 /nfs/dbraw/zinc/22/59/69/413225969.db2.gz KMGRVRGHQYOGKF-SJLPKXTDSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465791 413225378 /nfs/dbraw/zinc/22/53/78/413225378.db2.gz LMLKVJKVSVSXNW-OAGGEKHMSA-N 2 0 250.430 2.887 20 0 CFADRP CCc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656786408 413225453 /nfs/dbraw/zinc/22/54/53/413225453.db2.gz MFLIWEYCTILENN-AWEZNQCLSA-N 2 0 293.480 2.917 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786449 413226101 /nfs/dbraw/zinc/22/61/01/413226101.db2.gz SVUQNGKGTPIRQY-INIZCTEOSA-N 2 0 288.435 2.907 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCC1 ZINC000422947291 286049969 /nfs/dbraw/zinc/04/99/69/286049969.db2.gz YCZRUUPYJNHQEN-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)[C@@H](C)C1 ZINC000414110586 286064785 /nfs/dbraw/zinc/06/47/85/286064785.db2.gz IDDLKRIPYZHKLT-SIRPWMCASA-N 2 0 282.472 2.758 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786953 413228358 /nfs/dbraw/zinc/22/83/58/413228358.db2.gz YAPNGNQTSQVKSS-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP COCC(C)(C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261584713 292198156 /nfs/dbraw/zinc/19/81/56/292198156.db2.gz SNXBFTJCKHTRKP-UONOGXRCSA-N 2 0 256.434 2.559 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656786986 413228944 /nfs/dbraw/zinc/22/89/44/413228944.db2.gz YYAAIJWIMIDTBH-OAHLLOKOSA-N 2 0 264.438 2.960 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1 ZINC000663469832 413229081 /nfs/dbraw/zinc/22/90/81/413229081.db2.gz RBGLVALJBVYEJD-GDBMZVCRSA-N 2 0 273.424 2.854 20 0 CFADRP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000494169523 292197888 /nfs/dbraw/zinc/19/78/88/292197888.db2.gz ANTIEQWDKOXNFL-OAHLLOKOSA-N 2 0 270.461 2.617 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(c3ccco3)CC2)CC[NH2+]1 ZINC000656787860 413230625 /nfs/dbraw/zinc/23/06/25/413230625.db2.gz XPEMYBPVYJEDNU-UONOGXRCSA-N 2 0 262.397 2.847 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656791408 413234179 /nfs/dbraw/zinc/23/41/79/413234179.db2.gz FWYPWZJTCMBNBE-OWCLPIDISA-N 2 0 268.445 2.641 20 0 CFADRP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660305360 413234905 /nfs/dbraw/zinc/23/49/05/413234905.db2.gz KZMZQQHTLUPYII-BZUAXINKSA-N 2 0 270.461 2.636 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000356341683 155233493 /nfs/dbraw/zinc/23/34/93/155233493.db2.gz PSUMBIKPHIXADQ-FUHWJXTLSA-N 2 0 293.499 2.548 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](COc2ccccc2)C1 ZINC000356360043 155238520 /nfs/dbraw/zinc/23/85/20/155238520.db2.gz HCNRNCMEKIENGQ-SJORKVTESA-N 2 0 288.435 2.872 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC000424268206 286114793 /nfs/dbraw/zinc/11/47/93/286114793.db2.gz ZODBITXCJOWHFE-GANOOXTDSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423253521 296624302 /nfs/dbraw/zinc/62/43/02/296624302.db2.gz WADUXAJSVFSLEN-CJNGLKHVSA-N 2 0 259.397 2.523 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000656792860 413238963 /nfs/dbraw/zinc/23/89/63/413238963.db2.gz ZIWNUZANRPKZFQ-ZWKOTPCHSA-N 2 0 288.435 2.658 20 0 CFADRP CO[C@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000361009888 286146068 /nfs/dbraw/zinc/14/60/68/286146068.db2.gz NCMIRXVEISWUQL-MRXNPFEDSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000663493505 413240866 /nfs/dbraw/zinc/24/08/66/413240866.db2.gz IMNKAFAEXCOEPZ-JCGIZDLHSA-N 2 0 289.467 2.645 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C3CCC3)C2)CC[NH2+]1 ZINC000663500341 413244225 /nfs/dbraw/zinc/24/42/25/413244225.db2.gz KHNSICYVXVZTCM-YCPHGPKFSA-N 2 0 250.430 2.887 20 0 CFADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499631 413244772 /nfs/dbraw/zinc/24/47/72/413244772.db2.gz ZOLPHKQDZDTNTL-QLOLRVAOSA-N 2 0 270.420 2.739 20 0 CFADRP C(CC1CC[NH+](CC2CCC2)CC1)C[NH+]1CCOCC1 ZINC000356459161 155272760 /nfs/dbraw/zinc/27/27/60/155272760.db2.gz QTMLRSSMORZVEE-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)c1cccc(Cl)c1 ZINC000663500738 413246440 /nfs/dbraw/zinc/24/64/40/413246440.db2.gz NDTMJHIHPPCFFM-XIKARTHZSA-N 2 0 264.800 2.785 20 0 CFADRP Cc1ncc(C[NH2+]CC[C@@H]([NH3+])C(C)C)n1-c1ccccc1 ZINC000663498501 413246590 /nfs/dbraw/zinc/24/65/90/413246590.db2.gz NRWGPYXDFMWZOB-QGZVFWFLSA-N 2 0 286.423 2.644 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000442797064 286198313 /nfs/dbraw/zinc/19/83/13/286198313.db2.gz WOZHSGFQLGXNQY-RUXDESIVSA-N 2 0 292.414 2.757 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000663498797 413247494 /nfs/dbraw/zinc/24/74/94/413247494.db2.gz GDVDAXDQDJTEPB-ABCZVMIZSA-N 2 0 250.361 2.802 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422809481 292234150 /nfs/dbraw/zinc/23/41/50/292234150.db2.gz PXMMEZQOWNUUMB-BDXSIMOUSA-N 2 0 288.435 2.932 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CC2 ZINC000663502634 413251226 /nfs/dbraw/zinc/25/12/26/413251226.db2.gz JDYJOHUHGNRWJA-NVXWUHKLSA-N 2 0 276.424 2.516 20 0 CFADRP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CCOCC[NH3+])cc1 ZINC000357086394 292238111 /nfs/dbraw/zinc/23/81/11/292238111.db2.gz LTKYHYCADDSSQI-WBVHZDCISA-N 2 0 276.424 2.743 20 0 CFADRP C[NH2+]C[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000663510031 413254483 /nfs/dbraw/zinc/25/44/83/413254483.db2.gz NVWYINVYVMYEPL-ZDUSSCGKSA-N 2 0 295.858 2.502 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000347000615 286247436 /nfs/dbraw/zinc/24/74/36/286247436.db2.gz ZQHVWLYDZRPBEG-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCCC[NH3+])CCCCC1 ZINC000423125581 292248816 /nfs/dbraw/zinc/24/88/16/292248816.db2.gz AFOXLFXJFCBRNC-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000414975303 292249217 /nfs/dbraw/zinc/24/92/17/292249217.db2.gz NTHHSEYXTYUOGX-JKSUJKDBSA-N 2 0 290.451 2.784 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C12CCCCC2 ZINC000423332414 286279612 /nfs/dbraw/zinc/27/96/12/286279612.db2.gz DESAUNMAEVZPBS-HZPDHXFCSA-N 2 0 278.440 2.624 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423264811 286282631 /nfs/dbraw/zinc/28/26/31/286282631.db2.gz ZEDLIEWVSVYFCH-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422781725 286292803 /nfs/dbraw/zinc/29/28/03/286292803.db2.gz IYXUUSSUCLCPJP-HOTGVXAUSA-N 2 0 276.424 2.796 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000356727616 155342261 /nfs/dbraw/zinc/34/22/61/155342261.db2.gz CNZSUNWUIUBZEP-OAHLLOKOSA-N 2 0 299.503 2.778 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000356787725 155368091 /nfs/dbraw/zinc/36/80/91/155368091.db2.gz PJOUOEICESXBGG-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346838777 286367166 /nfs/dbraw/zinc/36/71/66/286367166.db2.gz RJCAEJAOUYRWNI-KCMWZYNZSA-N 2 0 288.435 2.858 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(CC)CC ZINC000423345991 286389532 /nfs/dbraw/zinc/38/95/32/286389532.db2.gz PISJRDNUHISVSF-XHSDSOJGSA-N 2 0 282.472 2.950 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423044876 286389871 /nfs/dbraw/zinc/38/98/71/286389871.db2.gz BYZMFYDQQYWNME-IIDMSEBBSA-N 2 0 288.435 2.832 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834095 286395522 /nfs/dbraw/zinc/39/55/22/286395522.db2.gz HKBIZEHMNMDFIA-ZQDZILKHSA-N 2 0 268.445 2.700 20 0 CFADRP COc1ccc2cc(C[NH2+][C@H]3CN(C)C[C@H]3C)ccc2c1 ZINC000343070387 154104213 /nfs/dbraw/zinc/10/42/13/154104213.db2.gz IDBVERCVRBVJSH-ACJLOTCBSA-N 2 0 284.403 2.888 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000348047738 154296898 /nfs/dbraw/zinc/29/68/98/154296898.db2.gz VFUJDOMHVFMFMQ-JKSUJKDBSA-N 2 0 282.472 2.759 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348091932 154315614 /nfs/dbraw/zinc/31/56/14/154315614.db2.gz ZCVWZFBISWYGDL-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000348204461 154361196 /nfs/dbraw/zinc/36/11/96/154361196.db2.gz SUHFUOIRVJYMGG-NXOAAHMSSA-N 2 0 294.483 2.996 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([NH2+]C(C)C)CC2)CCO1 ZINC000356988283 155455461 /nfs/dbraw/zinc/45/54/61/155455461.db2.gz KTRDLURHUZAZKB-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP COCCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346852478 292320038 /nfs/dbraw/zinc/32/00/38/292320038.db2.gz RRTKBOPFRULLJZ-GOSISDBHSA-N 2 0 290.451 2.915 20 0 CFADRP c1ccc(CN2CCC[C@H]([NH2+]CCN3CC=CCC3)C2)cc1 ZINC000355535225 155034801 /nfs/dbraw/zinc/03/48/01/155034801.db2.gz SDNWBLXOSARXJM-IBGZPJMESA-N 2 0 299.462 2.503 20 0 CFADRP c1ccc(CN2CCC[C@@H]([NH2+]CCN3CC=CCC3)C2)cc1 ZINC000355535228 155035559 /nfs/dbraw/zinc/03/55/59/155035559.db2.gz SDNWBLXOSARXJM-LJQANCHMSA-N 2 0 299.462 2.503 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000355764383 155079544 /nfs/dbraw/zinc/07/95/44/155079544.db2.gz HQDZFEJHYGQESP-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@H+](CCC1CC[NH+](Cc2cc[nH]n2)CC1)CC1CC1 ZINC000355887407 155108944 /nfs/dbraw/zinc/10/89/44/155108944.db2.gz FGBNRTBSXSCVEP-UHFFFAOYSA-N 2 0 290.455 2.744 20 0 CFADRP C[C@@H]1C[C@@H](Nc2nccc3c(N)cccc32)CC[N@@H+]1C ZINC000663661414 413306379 /nfs/dbraw/zinc/30/63/79/413306379.db2.gz PHPNIGMTQOXRBT-NEPJUHHUSA-N 2 0 270.380 2.712 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414999273 286490918 /nfs/dbraw/zinc/49/09/18/286490918.db2.gz RNIXEWLFUWSOMS-IRHPPKKSSA-N 2 0 274.408 2.816 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000227498676 286490329 /nfs/dbraw/zinc/49/03/29/286490329.db2.gz NUORZFZOLDSXEC-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP CCC1(CC)C[NH+](C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000651136673 413316486 /nfs/dbraw/zinc/31/64/86/413316486.db2.gz ALUUXROHNHUUSJ-KRWDZBQOSA-N 2 0 290.451 2.601 20 0 CFADRP c1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363414614 156175441 /nfs/dbraw/zinc/17/54/41/156175441.db2.gz PLSYXSUAGCIBLK-SQNIBIBYSA-N 2 0 270.420 2.645 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3CCCCC[C@@H]32)CC1 ZINC000367050750 156272541 /nfs/dbraw/zinc/27/25/41/156272541.db2.gz SBHGKWJUSHJUPM-ROUUACIJSA-N 2 0 293.499 2.667 20 0 CFADRP FCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367150882 156287572 /nfs/dbraw/zinc/28/75/72/156287572.db2.gz KGMBUXOEWFADQG-UKRRQHHQSA-N 2 0 254.393 2.685 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccccn3)C2)C1 ZINC000367308230 156311596 /nfs/dbraw/zinc/31/15/96/156311596.db2.gz NZVMMIANXHLRNE-QQFBHYJXSA-N 2 0 273.424 2.649 20 0 CFADRP CC[N@H+](C)CCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367550859 156348149 /nfs/dbraw/zinc/34/81/49/156348149.db2.gz IOGDZVJMJDHDRU-AWEZNQCLSA-N 2 0 264.417 2.572 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000367593235 156355306 /nfs/dbraw/zinc/35/53/06/156355306.db2.gz GVYHWKMSAVVYRB-RBSFLKMASA-N 2 0 293.480 2.710 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)[C@H]2CCC[C@@H]21 ZINC000367599238 156358117 /nfs/dbraw/zinc/35/81/17/156358117.db2.gz HCYDUJVVWMZSGO-PVAVHDDUSA-N 2 0 294.389 2.970 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367603027 156359685 /nfs/dbraw/zinc/35/96/85/156359685.db2.gz XSOJIPZKRRMVAD-KSZLIROESA-N 2 0 288.435 2.700 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@@H]2CCC[C@H]21 ZINC000367607130 156360012 /nfs/dbraw/zinc/36/00/12/156360012.db2.gz MNYRXOIDYRCHFL-RRQGHBQHSA-N 2 0 294.389 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000367614656 156362743 /nfs/dbraw/zinc/36/27/43/156362743.db2.gz IRISDZNUUPWHML-HRCADAONSA-N 2 0 262.372 2.788 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000367684100 156376809 /nfs/dbraw/zinc/37/68/09/156376809.db2.gz GYXWMDCCZIVQQW-KRWDZBQOSA-N 2 0 295.515 2.628 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000657179372 413328978 /nfs/dbraw/zinc/32/89/78/413328978.db2.gz YMFHGRFFMRIFCQ-GDBMZVCRSA-N 2 0 273.424 2.781 20 0 CFADRP COCCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321382 292347419 /nfs/dbraw/zinc/34/74/19/292347419.db2.gz ZYNRFDDKBJYAPO-OAHLLOKOSA-N 2 0 294.464 2.729 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC000657189383 413332697 /nfs/dbraw/zinc/33/26/97/413332697.db2.gz GHZPLLWCMABZEZ-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](C)C1 ZINC000401015726 296737320 /nfs/dbraw/zinc/73/73/20/296737320.db2.gz ISOFNPLEOAWRJQ-SJJUBHFPSA-N 2 0 250.430 2.789 20 0 CFADRP Cc1ncsc1CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374178114 157080395 /nfs/dbraw/zinc/08/03/95/157080395.db2.gz XMXHISTYIWCAJZ-UHFFFAOYSA-N 2 0 293.480 2.802 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000374338531 157101965 /nfs/dbraw/zinc/10/19/65/157101965.db2.gz UPPOSQSVZVIVRO-KBPBESRZSA-N 2 0 256.459 2.544 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc(F)c1 ZINC000374423723 157112860 /nfs/dbraw/zinc/11/28/60/157112860.db2.gz XEBXBVQIDRSTRW-IKGGRYGDSA-N 2 0 292.398 2.509 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCCF)C[C@@H]1n1ccnc1 ZINC000375373284 157235044 /nfs/dbraw/zinc/23/50/44/157235044.db2.gz KZAGLHDSWPDKBB-KGLIPLIRSA-N 2 0 253.365 2.906 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCOCC2(CCCC2)C1 ZINC000375400781 157239306 /nfs/dbraw/zinc/23/93/06/157239306.db2.gz DPIKZKIRMIGCDO-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)sc1C ZINC000375792860 157286466 /nfs/dbraw/zinc/28/64/66/157286466.db2.gz REPKKKJPXIXJGI-RBSFLKMASA-N 2 0 293.480 2.765 20 0 CFADRP C[NH2+]CCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000375965993 157310624 /nfs/dbraw/zinc/31/06/24/157310624.db2.gz VCHMSJCPKNGWQL-UHFFFAOYSA-N 2 0 289.423 2.596 20 0 CFADRP C1CC2(C1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@@H]1CCO[C@H]12 ZINC000376019924 157314921 /nfs/dbraw/zinc/31/49/21/157314921.db2.gz SIHLNEVUOVNAFA-IRKLFDGPSA-N 2 0 290.451 2.551 20 0 CFADRP CCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000651228328 413361176 /nfs/dbraw/zinc/36/11/76/413361176.db2.gz TXZSDYZGWOERAF-SJLPKXTDSA-N 2 0 293.499 2.713 20 0 CFADRP Nc1cccc2c1ccnc2NCCCCn1ccnc1 ZINC000663770472 413366638 /nfs/dbraw/zinc/36/66/38/413366638.db2.gz BEFPIYZKVFIBQQ-UHFFFAOYSA-N 2 0 281.363 2.906 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000653559255 413369785 /nfs/dbraw/zinc/36/97/85/413369785.db2.gz RCOFNKCFZGOTGM-QGZVFWFLSA-N 2 0 283.419 2.917 20 0 CFADRP CCn1ccnc1[C@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000651303754 413396656 /nfs/dbraw/zinc/39/66/56/413396656.db2.gz AHPNBMOKBBKWOM-LBPRGKRZSA-N 2 0 282.351 2.657 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353659931 286792217 /nfs/dbraw/zinc/79/22/17/286792217.db2.gz NUANOQKVAUKDAR-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000423124966 286804855 /nfs/dbraw/zinc/80/48/55/286804855.db2.gz POENIOFLVROCSE-YOEHRIQHSA-N 2 0 288.435 2.798 20 0 CFADRP c1ncn2c1C[N@H+](CCCCc1ccccc1)CC2 ZINC000660582174 413410883 /nfs/dbraw/zinc/41/08/83/413410883.db2.gz PULIQKCZZWUADB-UHFFFAOYSA-N 2 0 255.365 2.722 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000657296432 413413799 /nfs/dbraw/zinc/41/37/99/413413799.db2.gz HTWLQFGFEPVZMP-ROUUACIJSA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)CC1 ZINC000657308630 413425504 /nfs/dbraw/zinc/42/55/04/413425504.db2.gz WCNHIABIIIHAHL-QZTJIDSGSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423037429 298392667 /nfs/dbraw/zinc/39/26/67/298392667.db2.gz BPXOMAFSVMEUNZ-OAGGEKHMSA-N 3 0 281.488 2.747 20 0 CFADRP Cc1ccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)o1 ZINC000657308682 413428702 /nfs/dbraw/zinc/42/87/02/413428702.db2.gz VOGHWILDXUFHBA-UHFFFAOYSA-N 2 0 282.347 2.501 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000423092185 298399237 /nfs/dbraw/zinc/39/92/37/298399237.db2.gz AWAMFWFNQRSWED-SKDRFNHKSA-N 2 0 291.222 2.744 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000422950082 298399510 /nfs/dbraw/zinc/39/95/10/298399510.db2.gz VDXHOHTWZDIQOA-BXUZGUMPSA-N 2 0 266.360 2.756 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663903729 413430624 /nfs/dbraw/zinc/43/06/24/413430624.db2.gz CHSUNVRCKIKAQR-UHFFFAOYSA-N 2 0 292.386 2.884 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000229938599 286891450 /nfs/dbraw/zinc/89/14/50/286891450.db2.gz SEGDNFNEZCMGBI-RDJZCZTQSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000342738603 161697521 /nfs/dbraw/zinc/69/75/21/161697521.db2.gz SFJQWFQXGJNZNJ-HNNXBMFYSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343930704 161896593 /nfs/dbraw/zinc/89/65/93/161896593.db2.gz MGXGYZGOJYKAHY-ZBFHGGJFSA-N 2 0 291.439 2.690 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000344079908 161935225 /nfs/dbraw/zinc/93/52/25/161935225.db2.gz OVMDGDZXZXLPNN-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000430924317 286908057 /nfs/dbraw/zinc/90/80/57/286908057.db2.gz AGRDRHCENSKJRL-CQSZACIVSA-N 2 0 268.445 2.785 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1(C)C ZINC000344316444 162004957 /nfs/dbraw/zinc/00/49/57/162004957.db2.gz ZXMHFFNXXYVMLV-CBBWQLFWSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@](C)(O)C2CC2)C1 ZINC000344405836 162034400 /nfs/dbraw/zinc/03/44/00/162034400.db2.gz HLCPRYXJQRKJSR-JLSDUUJJSA-N 2 0 288.435 2.573 20 0 CFADRP Cc1csc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000344611705 162079968 /nfs/dbraw/zinc/07/99/68/162079968.db2.gz MKUBBHDMPJBGNE-NEPJUHHUSA-N 2 0 250.411 2.771 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344678523 162097003 /nfs/dbraw/zinc/09/70/03/162097003.db2.gz LRAHMKVLAUFYOC-AFDQWNBZSA-N 2 0 274.408 2.781 20 0 CFADRP Cc1ncc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000344788892 162122808 /nfs/dbraw/zinc/12/28/08/162122808.db2.gz LFDVJFIMDXTYPX-UHFFFAOYSA-N 2 0 290.455 2.633 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c(OCC2CC2)c1 ZINC000344880042 162140044 /nfs/dbraw/zinc/14/00/44/162140044.db2.gz KCZGWDBSFHGCPQ-PBHICJAKSA-N 2 0 288.435 2.824 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000178200859 286928023 /nfs/dbraw/zinc/92/80/23/286928023.db2.gz FRFXVBYWDDLQLI-KGLIPLIRSA-N 2 0 289.423 2.909 20 0 CFADRP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000346182312 162340784 /nfs/dbraw/zinc/34/07/84/162340784.db2.gz SAPUGRNTEIXEJD-UHFFFAOYSA-N 2 0 270.380 2.950 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000346551460 162442451 /nfs/dbraw/zinc/44/24/51/162442451.db2.gz FVCXSODUYNMROC-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(Br)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346678406 162483668 /nfs/dbraw/zinc/48/36/68/162483668.db2.gz YTEXYMIFKJIVLN-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP CCC1(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCOCC1 ZINC000347096253 162598619 /nfs/dbraw/zinc/59/86/19/162598619.db2.gz HSIGDSBVHCMYEQ-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(COC)cs2)C1 ZINC000657324588 413448531 /nfs/dbraw/zinc/44/85/31/413448531.db2.gz DWOQQTSVYDPEQV-CYBMUJFWSA-N 2 0 282.453 2.716 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000349668400 163000632 /nfs/dbraw/zinc/00/06/32/163000632.db2.gz QXDGNGSMLPHSHW-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000349720084 163008250 /nfs/dbraw/zinc/00/82/50/163008250.db2.gz ISFCEFLEAZGEQF-PRLABOORSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC1CCOCC1 ZINC000350047874 163054097 /nfs/dbraw/zinc/05/40/97/163054097.db2.gz KSKFJKBYLPBCEK-LZWOXQAQSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC1CCOCC1 ZINC000350047875 163054111 /nfs/dbraw/zinc/05/41/11/163054111.db2.gz KSKFJKBYLPBCEK-OFQRWUPVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)[C@@H](C)CNc1cc[nH+]c(C)c1Cl ZINC000350286893 163070332 /nfs/dbraw/zinc/07/03/32/163070332.db2.gz MIANLXNNLYUDAL-JTQLQIEISA-N 2 0 255.793 2.608 20 0 CFADRP CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000352673507 163222211 /nfs/dbraw/zinc/22/22/11/163222211.db2.gz NQDHJXWCVUYKDT-UHFFFAOYSA-N 2 0 286.423 2.504 20 0 CFADRP C[NH+]1CCC(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352765738 163230634 /nfs/dbraw/zinc/23/06/34/163230634.db2.gz ROUXQRHGSQPKPZ-IHWYPQMZSA-N 2 0 280.362 2.909 20 0 CFADRP C[C@H](CCCCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000352782854 163234486 /nfs/dbraw/zinc/23/44/86/163234486.db2.gz JQRLFNBIHJHJLF-OAHLLOKOSA-N 2 0 282.472 2.924 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000352834500 163248406 /nfs/dbraw/zinc/24/84/06/163248406.db2.gz ISTQHPYTPJHJLD-USXIJHARSA-N 2 0 282.472 2.925 20 0 CFADRP CSc1ccc(C[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000352841941 163249460 /nfs/dbraw/zinc/24/94/60/163249460.db2.gz ULYFSYCHMZQFND-UHFFFAOYSA-N 2 0 270.467 2.901 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000352842101 163249636 /nfs/dbraw/zinc/24/96/36/163249636.db2.gz AMRYTZURQYHKNE-SZMVWBNQSA-N 2 0 294.483 2.805 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)C[C@H]1C ZINC000352858615 163253220 /nfs/dbraw/zinc/25/32/20/163253220.db2.gz NYRPTBMTSLYVFD-HYVNUMGLSA-N 2 0 282.472 2.732 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CC=CCC2)CC[NH+](C)CC1 ZINC000353221840 163319892 /nfs/dbraw/zinc/31/98/92/163319892.db2.gz FNARSGUEZTWULY-CQSZACIVSA-N 2 0 268.470 2.760 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(F)cc2)CC[NH+](C)CC1 ZINC000353231625 163322538 /nfs/dbraw/zinc/32/25/38/163322538.db2.gz UGJCQQVHEPHNFT-UHFFFAOYSA-N 2 0 282.428 2.743 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000353317312 163345210 /nfs/dbraw/zinc/34/52/10/163345210.db2.gz VZHHGQANVSHJOZ-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP FC(F)(F)OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000353333343 163347001 /nfs/dbraw/zinc/34/70/01/163347001.db2.gz QMMRNUCNBJBHAD-UHFFFAOYSA-N 2 0 294.361 2.910 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000353346991 163349053 /nfs/dbraw/zinc/34/90/53/163349053.db2.gz MZMWVPXSGBXDIP-WMZOPIPTSA-N 2 0 298.434 2.526 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353405678 163359504 /nfs/dbraw/zinc/35/95/04/163359504.db2.gz PMZCFBUJKRRPLN-SQNIBIBYSA-N 2 0 288.435 2.918 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000353441491 163365617 /nfs/dbraw/zinc/36/56/17/163365617.db2.gz NAAXGWUFSZPFLN-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP Cc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353522418 163385369 /nfs/dbraw/zinc/38/53/69/163385369.db2.gz UUDFOOBMISRGGU-UHFFFAOYSA-N 2 0 276.424 2.538 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CCCCC2)[C@@H](C)C1 ZINC000353538878 163388985 /nfs/dbraw/zinc/38/89/85/163388985.db2.gz JRMZSEHOVKLLJU-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cccc(C[N@@H+](C)CCCN(C)Cc2ccco2)n1 ZINC000353552039 163393403 /nfs/dbraw/zinc/39/34/03/163393403.db2.gz WIWMYTGNXXXBIX-UHFFFAOYSA-N 2 0 287.407 2.937 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000353612839 163408232 /nfs/dbraw/zinc/40/82/32/163408232.db2.gz SWIKKVBGZDMEIE-PBHICJAKSA-N 2 0 290.455 2.585 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H](C)CC[NH+](C)C)[nH]c2c1 ZINC000657335672 413464803 /nfs/dbraw/zinc/46/48/03/413464803.db2.gz RXPKQRAMLDWSBC-ZDUSSCGKSA-N 2 0 259.397 2.906 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879784 287022498 /nfs/dbraw/zinc/02/24/98/287022498.db2.gz LESDPNCVAWXFSZ-BRWVUGGUSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000158166735 287022516 /nfs/dbraw/zinc/02/25/16/287022516.db2.gz CTFCYAWSAQTALC-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(COC)cs2)C1 ZINC000657337055 413468619 /nfs/dbraw/zinc/46/86/19/413468619.db2.gz GWJZZACEMLHHPZ-CYBMUJFWSA-N 2 0 282.453 2.716 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C1C[NH2+]C1 ZINC000422767964 287051462 /nfs/dbraw/zinc/05/14/62/287051462.db2.gz NKAGRLKAZMPLCR-QWHCGFSZSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423111850 287053532 /nfs/dbraw/zinc/05/35/32/287053532.db2.gz WUBMTADXFVFSHV-KCXAZCMYSA-N 2 0 295.858 2.673 20 0 CFADRP CN(CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660658052 413471085 /nfs/dbraw/zinc/47/10/85/413471085.db2.gz VNSJCIWOXXXPNZ-GOSISDBHSA-N 2 0 287.451 2.541 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000423407944 287059583 /nfs/dbraw/zinc/05/95/83/287059583.db2.gz WQHBKLIXQZCWGK-NQBHXWOUSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423159054 287061780 /nfs/dbraw/zinc/06/17/80/287061780.db2.gz OOSCBRFBBVJIEX-SRCQZFHVSA-N 2 0 272.392 2.630 20 0 CFADRP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1C[NH2+]C1 ZINC000422762272 287064745 /nfs/dbraw/zinc/06/47/45/287064745.db2.gz MMJFAKLAPBKNOZ-BMIGLBTASA-N 2 0 264.800 2.989 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423162939 287072942 /nfs/dbraw/zinc/07/29/42/287072942.db2.gz VAPZZFPZTLBXSH-OVYGPGRDSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000651454326 413474880 /nfs/dbraw/zinc/47/48/80/413474880.db2.gz WIQQGERMFPMFGV-HNSVSWJLSA-N 2 0 273.424 2.974 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000284341543 196035410 /nfs/dbraw/zinc/03/54/10/196035410.db2.gz MTUDZYDKGXYFKS-DLBZAZTESA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000020129043 171016726 /nfs/dbraw/zinc/01/67/26/171016726.db2.gz CTEMQOSQSFJDNH-CYBMUJFWSA-N 2 0 276.380 2.552 20 0 CFADRP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc(C)c1O ZINC000020307103 171142884 /nfs/dbraw/zinc/14/28/84/171142884.db2.gz FUKWKZVIZKDSTQ-UHFFFAOYSA-N 2 0 276.424 2.975 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660660081 413476002 /nfs/dbraw/zinc/47/60/02/413476002.db2.gz DPXNBVCKZWQRKQ-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660660077 413477656 /nfs/dbraw/zinc/47/76/56/413477656.db2.gz DPXNBVCKZWQRKQ-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP CC1=CC[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000284985732 196171377 /nfs/dbraw/zinc/17/13/77/196171377.db2.gz GGUOHMGRUJAUTL-MRXNPFEDSA-N 2 0 289.423 2.610 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC3CC[NH+](C)CC3)[nH]c2c1 ZINC000657349328 413483045 /nfs/dbraw/zinc/48/30/45/413483045.db2.gz QDIFTEAAVXLJLC-UHFFFAOYSA-N 2 0 271.408 2.908 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCc3ccc(C)cc32)n1C ZINC000657352767 413486253 /nfs/dbraw/zinc/48/62/53/413486253.db2.gz BDJPBINFGJUSMS-MRXNPFEDSA-N 2 0 255.365 2.814 20 0 CFADRP c1ccc(C[NH2+]C2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000660680408 413496299 /nfs/dbraw/zinc/49/62/99/413496299.db2.gz YDQVHFKPKDLBEV-UHFFFAOYSA-N 2 0 288.435 2.667 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000660695219 413503413 /nfs/dbraw/zinc/50/34/13/413503413.db2.gz FYRFFPPOAMDXGK-DLBZAZTESA-N 2 0 296.499 2.885 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000651639544 413537131 /nfs/dbraw/zinc/53/71/31/413537131.db2.gz FGNYYTIGEAKHCS-CQSZACIVSA-N 2 0 258.409 2.559 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000657386559 413539233 /nfs/dbraw/zinc/53/92/33/413539233.db2.gz ILTPZFKRRXLAJV-GDBMZVCRSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660758690 413544355 /nfs/dbraw/zinc/54/43/55/413544355.db2.gz ASKXGVQOWNCUPS-WBVHZDCISA-N 2 0 294.483 2.639 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCS1 ZINC000657394307 413548393 /nfs/dbraw/zinc/54/83/93/413548393.db2.gz NCFJRJOCGOQVHZ-OAHLLOKOSA-N 2 0 288.420 2.643 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651677460 413560553 /nfs/dbraw/zinc/56/05/53/413560553.db2.gz JIQFDCVGTWEZDP-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674616 413561896 /nfs/dbraw/zinc/56/18/96/413561896.db2.gz XHUNXIAWLBHOCN-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252177293 287267959 /nfs/dbraw/zinc/26/79/59/287267959.db2.gz PGGRGEZIRGBTFW-BRSBDYLESA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705796 413580487 /nfs/dbraw/zinc/58/04/87/413580487.db2.gz GOKBIXPHXNOUCZ-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000651732106 413599600 /nfs/dbraw/zinc/59/96/00/413599600.db2.gz JIECEHPMFGIALD-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651765298 413623628 /nfs/dbraw/zinc/62/36/28/413623628.db2.gz LIUZBAZHBWKALG-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000657452774 413623753 /nfs/dbraw/zinc/62/37/53/413623753.db2.gz JPMTYQLFRPYGKN-RCCFBDPRSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794364 413643290 /nfs/dbraw/zinc/64/32/90/413643290.db2.gz WFCHHEXMRNFLJT-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC[C@H](C)[NH+](C)C)c2c1 ZINC000664246061 413652452 /nfs/dbraw/zinc/65/24/52/413652452.db2.gz SFRQXZIGTPZZKG-ZDUSSCGKSA-N 2 0 257.381 2.717 20 0 CFADRP CC(C)n1ccnc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657474309 413657000 /nfs/dbraw/zinc/65/70/00/413657000.db2.gz GWGVFRRQQIBMFD-UHFFFAOYSA-N 2 0 278.444 2.820 20 0 CFADRP Cc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000664283138 413665398 /nfs/dbraw/zinc/66/53/98/413665398.db2.gz PUKLWZLIHUFLEM-UHFFFAOYSA-N 2 0 296.418 2.531 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(C)c1 ZINC000657439535 413607824 /nfs/dbraw/zinc/60/78/24/413607824.db2.gz BBKWHTMWECCUFA-OAHLLOKOSA-N 2 0 285.391 2.695 20 0 CFADRP c1cc2c(c(C[NH2+]CCC[NH+]3CCCC3)c1)CCC2 ZINC000651749677 413610160 /nfs/dbraw/zinc/61/01/60/413610160.db2.gz FQUXKSGAAGTZGD-UHFFFAOYSA-N 2 0 258.409 2.751 20 0 CFADRP Cc1c[nH]c(CN[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000657447085 413617068 /nfs/dbraw/zinc/61/70/68/413617068.db2.gz PAAVUFSUOXYGHP-PBHICJAKSA-N 2 0 286.423 2.808 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000651865122 413685193 /nfs/dbraw/zinc/68/51/93/413685193.db2.gz ODTRPISQPJWJEA-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000651865622 413686377 /nfs/dbraw/zinc/68/63/77/413686377.db2.gz AYOZQCUJSSPJNL-QGZVFWFLSA-N 2 0 289.467 2.833 20 0 CFADRP COC1(C[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)CCC1 ZINC000651865600 413688123 /nfs/dbraw/zinc/68/81/23/413688123.db2.gz AFVHRBHOCJLWRB-HNNXBMFYSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000651865955 413688224 /nfs/dbraw/zinc/68/82/24/413688224.db2.gz OGKOBXCPKHYQQF-CVEARBPZSA-N 2 0 270.461 2.758 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H]1CCO[C@H]1C)C1CCCCC1 ZINC000651910062 413709634 /nfs/dbraw/zinc/70/96/34/413709634.db2.gz FVAHMICUIXRQBF-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H]1CO[C@@H](C)C1)C1CCCCC1 ZINC000651910048 413710033 /nfs/dbraw/zinc/71/00/33/413710033.db2.gz FNMBQGURJRBODR-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H](C)Cn1cccn1)C1CCCCC1 ZINC000651910123 413711336 /nfs/dbraw/zinc/71/13/36/413711336.db2.gz HSTIGTCIHJPJKV-INIZCTEOSA-N 2 0 292.471 2.906 20 0 CFADRP Cc1c[nH+]ccc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000664403582 413746336 /nfs/dbraw/zinc/74/63/36/413746336.db2.gz PBEADNRDEQPIRB-AWEZNQCLSA-N 2 0 259.397 2.631 20 0 CFADRP CO[C@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285484466 196300013 /nfs/dbraw/zinc/30/00/13/196300013.db2.gz IJPNHOXPGOFKEJ-SJLPKXTDSA-N 2 0 288.435 2.619 20 0 CFADRP CCC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597666 413777691 /nfs/dbraw/zinc/77/76/91/413777691.db2.gz WGKOKYLCRSHTNE-QAPCUYQASA-N 2 0 290.451 2.779 20 0 CFADRP C[C@H]([NH2+]CCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000036778537 172695609 /nfs/dbraw/zinc/69/56/09/172695609.db2.gz LLRMBGORZIBAQA-ZDUSSCGKSA-N 2 0 264.388 2.688 20 0 CFADRP c1cc2cc(C[NH2+]CCCC[NH+]3CCOCC3)ccc2o1 ZINC000285506698 196308660 /nfs/dbraw/zinc/30/86/60/196308660.db2.gz QLDOTFFYIQCQGJ-UHFFFAOYSA-N 2 0 288.391 2.635 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657670078 413843772 /nfs/dbraw/zinc/84/37/72/413843772.db2.gz JQYBREIRSBEGHK-UPJWGTAASA-N 2 0 258.356 2.638 20 0 CFADRP C1C[C@H]2C[C@@H](N[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C1 ZINC000657677672 413849043 /nfs/dbraw/zinc/84/90/43/413849043.db2.gz GJOIDAJHASZHEX-BQFCYCMXSA-N 2 0 291.483 2.610 20 0 CFADRP COc1cccc(C2([NH2+]Cc3cnc(C)n3C)CCC2)c1 ZINC000657778233 413925468 /nfs/dbraw/zinc/92/54/68/413925468.db2.gz DJTFLSSPBJLEGS-UHFFFAOYSA-N 2 0 285.391 2.906 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCc1ccsc1)C2 ZINC000652352806 413899284 /nfs/dbraw/zinc/89/92/84/413899284.db2.gz YXQVTXKQPZUCLW-GJZGRUSLSA-N 2 0 264.438 2.742 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351646 413899518 /nfs/dbraw/zinc/89/95/18/413899518.db2.gz NMTJUFDWXBZDQQ-QZWWFDLISA-N 2 0 280.456 2.643 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000652358475 413904433 /nfs/dbraw/zinc/90/44/33/413904433.db2.gz IGTRMPSKMLHMJD-MRXNPFEDSA-N 2 0 276.424 2.702 20 0 CFADRP CCO[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652357184 413906832 /nfs/dbraw/zinc/90/68/32/413906832.db2.gz ABGRHMSGCDRGKK-GDBMZVCRSA-N 2 0 296.842 2.568 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657863741 414013318 /nfs/dbraw/zinc/01/33/18/414013318.db2.gz VKTCKSLRJNUPKL-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000657873555 414017911 /nfs/dbraw/zinc/01/79/11/414017911.db2.gz XZSOQDQFVPNEQY-KRWDZBQOSA-N 2 0 298.434 2.960 20 0 CFADRP Cc1ccncc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813586 413960239 /nfs/dbraw/zinc/96/02/39/413960239.db2.gz SWFGVHLIDBHOOS-UHFFFAOYSA-N 2 0 273.424 2.602 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813852 413960645 /nfs/dbraw/zinc/96/06/45/413960645.db2.gz BUXXEDVMFSALCX-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000657815260 413961201 /nfs/dbraw/zinc/96/12/01/413961201.db2.gz NTPQBEWTIACMHP-XJKSGUPXSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C ZINC000657815271 413961327 /nfs/dbraw/zinc/96/13/27/413961327.db2.gz OGPQJUHXOWKDDP-DVOMOZLQSA-N 2 0 250.430 2.743 20 0 CFADRP Cc1cccn2c(C[NH2+][C@H](c3ccccc3)[C@H](C)O)cnc12 ZINC000657814968 413962424 /nfs/dbraw/zinc/96/24/24/413962424.db2.gz GUDSLBVGJDTWLI-YOEHRIQHSA-N 2 0 295.386 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657816711 413966785 /nfs/dbraw/zinc/96/67/85/413966785.db2.gz NAVIJXKVDJDVMU-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C)CC([NH2+][C@@H]2COC3(CCC3)C2)CC(C)(C)[NH2+]1 ZINC000657824466 413979954 /nfs/dbraw/zinc/97/99/54/413979954.db2.gz JGWUNFGMWNLLSH-ZDUSSCGKSA-N 2 0 266.429 2.597 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C(F)F ZINC000657840880 413990770 /nfs/dbraw/zinc/99/07/70/413990770.db2.gz XODIQTFSRMZXBA-QJPTWQEYSA-N 2 0 260.372 2.883 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657908432 414046653 /nfs/dbraw/zinc/04/66/53/414046653.db2.gz KLXYEMGLLRSSSN-CYBMUJFWSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000037229188 173049135 /nfs/dbraw/zinc/04/91/35/173049135.db2.gz HUUNHIBIFZRDBY-SFHVURJKSA-N 2 0 289.467 2.611 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000657933092 414062962 /nfs/dbraw/zinc/06/29/62/414062962.db2.gz ZDQPJVUFQNSDII-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408219 173184470 /nfs/dbraw/zinc/18/44/70/173184470.db2.gz REANYFWQSQCLFT-CYBMUJFWSA-N 2 0 264.800 2.914 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408272 173184767 /nfs/dbraw/zinc/18/47/67/173184767.db2.gz RVVBVFZFBYTOQI-HNNXBMFYSA-N 2 0 274.408 2.659 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000657933089 414064913 /nfs/dbraw/zinc/06/49/13/414064913.db2.gz ZDQPJVUFQNSDII-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)C[NH+]1CCCCC1 ZINC000093515550 298892840 /nfs/dbraw/zinc/89/28/40/298892840.db2.gz BADCNERCOCKSNK-IXDOHACOSA-N 2 0 281.488 2.761 20 0 CFADRP COC1([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)CCC1 ZINC000657974057 414082652 /nfs/dbraw/zinc/08/26/52/414082652.db2.gz LIJHELRKCYEESW-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COC1CC(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000658057131 414133412 /nfs/dbraw/zinc/13/34/12/414133412.db2.gz UGVWIQJTVZZBPW-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)C1CC[NH+](C)CC1 ZINC000658062517 414144395 /nfs/dbraw/zinc/14/43/95/414144395.db2.gz FXKNIJASSOLPEK-UONOGXRCSA-N 2 0 261.413 2.505 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000658062520 414144769 /nfs/dbraw/zinc/14/47/69/414144769.db2.gz FXKNIJASSOLPEK-ZIAGYGMSSA-N 2 0 261.413 2.505 20 0 CFADRP C([NH2+][C@@H]1CCC12CCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000658069525 414154500 /nfs/dbraw/zinc/15/45/00/414154500.db2.gz GNGHWHVFEZBKHS-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069735 414154729 /nfs/dbraw/zinc/15/47/29/414154729.db2.gz QVAJBQMOANRVSG-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP C([NH2+][C@H]1CCCSCC1)C1CC[NH+](C2CC2)CC1 ZINC000657994764 414093353 /nfs/dbraw/zinc/09/33/53/414093353.db2.gz WVDDIPVTWDSIKO-AWEZNQCLSA-N 2 0 268.470 2.736 20 0 CFADRP C1C([NH2+][C@H]2CCCSCC2)CC1[NH+]1CCCCC1 ZINC000657999509 414099631 /nfs/dbraw/zinc/09/96/31/414099631.db2.gz IRBVOXAKHKFIOL-NFOMZHRRSA-N 2 0 268.470 2.879 20 0 CFADRP FCC1(CF)CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000658023235 414109803 /nfs/dbraw/zinc/10/98/03/414109803.db2.gz KOAKJYVUEFSINC-UHFFFAOYSA-N 2 0 274.399 2.930 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)CC1(F)F ZINC000665265362 414221262 /nfs/dbraw/zinc/22/12/62/414221262.db2.gz WGKBWXSRUKSLBG-YUTCNCBUSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665265656 414221782 /nfs/dbraw/zinc/22/17/82/414221782.db2.gz YUDMNOXYHHBGIP-JHJVBQTASA-N 2 0 252.308 2.766 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263128 414223333 /nfs/dbraw/zinc/22/33/33/414223333.db2.gz GOTYRBKTYADPRA-PLNCSYRRSA-N 2 0 273.424 2.936 20 0 CFADRP C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665268865 414226175 /nfs/dbraw/zinc/22/61/75/414226175.db2.gz WZQPBQRYLQDORU-VYDXJSESSA-N 2 0 279.472 2.514 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)c2ccccc21 ZINC000665267599 414226726 /nfs/dbraw/zinc/22/67/26/414226726.db2.gz ZIROCXFTOMNENI-XKQJLSEDSA-N 2 0 298.361 2.864 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267393 414227443 /nfs/dbraw/zinc/22/74/43/414227443.db2.gz VVYKKILVIBPPAX-OIISXLGYSA-N 2 0 279.472 2.643 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000665274892 414230237 /nfs/dbraw/zinc/23/02/37/414230237.db2.gz ZVWZUOSWOURWPG-VGVBULKLSA-N 2 0 284.394 2.932 20 0 CFADRP C1=C(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000665273948 414230555 /nfs/dbraw/zinc/23/05/55/414230555.db2.gz GVAMAGBHVGHTLL-FUHWJXTLSA-N 2 0 284.403 2.942 20 0 CFADRP FC(F)(F)CCC(CCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C1 ZINC000665272557 414231944 /nfs/dbraw/zinc/23/19/44/414231944.db2.gz HJDVUOIZFZXHPI-SECBINFHSA-N 2 0 292.267 2.992 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000665275084 414234518 /nfs/dbraw/zinc/23/45/18/414234518.db2.gz BRXBBWDTDLSCDV-MWDXBVQZSA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275942 414235321 /nfs/dbraw/zinc/23/53/21/414235321.db2.gz VWUPPUJNNUJWII-TZMCWYRMSA-N 2 0 289.448 2.946 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234798 414191634 /nfs/dbraw/zinc/19/16/34/414191634.db2.gz KEFLQHMQGWOIET-MJBXVCDLSA-N 2 0 295.858 2.882 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000665236965 414192957 /nfs/dbraw/zinc/19/29/57/414192957.db2.gz XLORFYIZEWJXJQ-RCBQFDQVSA-N 2 0 273.424 2.594 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000665236963 414193931 /nfs/dbraw/zinc/19/39/31/414193931.db2.gz XLORFYIZEWJXJQ-APHBMKBZSA-N 2 0 273.424 2.594 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239391 414197330 /nfs/dbraw/zinc/19/73/30/414197330.db2.gz SNFWZTXDLKGGGE-PBHICJAKSA-N 2 0 283.419 2.755 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665238709 414197441 /nfs/dbraw/zinc/19/74/41/414197441.db2.gz AZNWFXXIDZMRIM-FGTMMUONSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000658098724 414198320 /nfs/dbraw/zinc/19/83/20/414198320.db2.gz WDUOBRVUABIGRB-RYQLBKOJSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665244196 414201748 /nfs/dbraw/zinc/20/17/48/414201748.db2.gz IIYTVJULUXDMEA-ZHCNRQHHSA-N 2 0 256.393 2.587 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)C12CCCCC2 ZINC000665247393 414204402 /nfs/dbraw/zinc/20/44/02/414204402.db2.gz ANYRZARCWWDVEJ-HUUCEWRRSA-N 2 0 280.456 2.975 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)C1(C)C ZINC000665247512 414204789 /nfs/dbraw/zinc/20/47/89/414204789.db2.gz DIAQCRZPPVRLEM-KGLIPLIRSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000658108338 414206019 /nfs/dbraw/zinc/20/60/19/414206019.db2.gz NDVBFANUQBRUJH-JKSUJKDBSA-N 2 0 277.456 2.609 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000658108506 414206939 /nfs/dbraw/zinc/20/69/39/414206939.db2.gz ODOVKCRKFKYXNN-RBSFLKMASA-N 2 0 284.488 2.882 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCCC1)CCC2 ZINC000665249810 414208772 /nfs/dbraw/zinc/20/87/72/414208772.db2.gz ZSGXEPFJHRRURB-MRXNPFEDSA-N 2 0 274.408 2.934 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)o1 ZINC000658110617 414210327 /nfs/dbraw/zinc/21/03/27/414210327.db2.gz ZLQHBLDEAAQNBM-ZFWWWQNUSA-N 2 0 281.444 2.511 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccs1 ZINC000658110631 414210878 /nfs/dbraw/zinc/21/08/78/414210878.db2.gz ZOJHNFXSHORFDL-UONOGXRCSA-N 2 0 283.485 2.671 20 0 CFADRP COCc1csc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000665263012 414218441 /nfs/dbraw/zinc/21/84/41/414218441.db2.gz DQSGKMTVAKDFJM-NSHDSACASA-N 2 0 256.415 2.502 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000665258839 414219150 /nfs/dbraw/zinc/21/91/50/414219150.db2.gz MZSPIMZHRNDDBT-CJQITXGSSA-N 2 0 276.399 2.905 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC(C)(C)F ZINC000665262363 414219182 /nfs/dbraw/zinc/21/91/82/414219182.db2.gz ZMSHGHCEOJYTRU-JSGCOSHPSA-N 2 0 252.377 2.673 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279862 414241936 /nfs/dbraw/zinc/24/19/36/414241936.db2.gz NUSMFLLPXKPZRQ-CIDNJEQPSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CC1 ZINC000665279858 414242442 /nfs/dbraw/zinc/24/24/42/414242442.db2.gz NSDMEDCKSYQNSU-ZCDVPAHGSA-N 2 0 270.420 2.658 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000665281549 414244825 /nfs/dbraw/zinc/24/48/25/414244825.db2.gz GQOSLRBWBKQOMZ-CAOSSQGBSA-N 2 0 268.445 2.545 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281342 414245232 /nfs/dbraw/zinc/24/52/32/414245232.db2.gz ZWJTYRRMLHYVIZ-HUUCEWRRSA-N 2 0 262.397 2.646 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(F)c1 ZINC000665279731 414245615 /nfs/dbraw/zinc/24/56/15/414245615.db2.gz KOTILUDMVBNTFQ-XHDPSFHLSA-N 2 0 268.376 2.858 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000665282118 414246971 /nfs/dbraw/zinc/24/69/71/414246971.db2.gz RDNUWVFNYDZESC-CAOSSQGBSA-N 2 0 268.445 2.545 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283314 414248775 /nfs/dbraw/zinc/24/87/75/414248775.db2.gz LJPRHZXEINNLRX-BXKDBHETSA-N 2 0 288.313 2.644 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665282952 414249726 /nfs/dbraw/zinc/24/97/26/414249726.db2.gz FFXWNTFBAVWZCZ-HNONPPJISA-N 2 0 288.435 2.714 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)CCCC[NH3+])C1CCCCC1 ZINC000665282769 414249779 /nfs/dbraw/zinc/24/97/79/414249779.db2.gz BLEYQQAGPLDNRM-HIFRSBDPSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000658167462 414255616 /nfs/dbraw/zinc/25/56/16/414255616.db2.gz YCBLOVDMZFXCKT-VKJFTORMSA-N 2 0 287.451 2.928 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000658170732 414262297 /nfs/dbraw/zinc/26/22/97/414262297.db2.gz NHJFDIGFQKVEJV-OFQRWUPVSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000658176968 414264570 /nfs/dbraw/zinc/26/45/70/414264570.db2.gz LRLREIPWYSOFBQ-NVXWUHKLSA-N 2 0 260.425 2.918 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC000665294217 414264913 /nfs/dbraw/zinc/26/49/13/414264913.db2.gz KJPNQCFMJRCRMF-QMTHXVAHSA-N 2 0 297.240 2.504 20 0 CFADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000665298201 414271929 /nfs/dbraw/zinc/27/19/29/414271929.db2.gz TYMLOOHPHARTRP-RRFJBIMHSA-N 2 0 261.413 2.614 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665300137 414271981 /nfs/dbraw/zinc/27/19/81/414271981.db2.gz YWMDNKSLARFGLB-GWCFXTLKSA-N 2 0 287.329 2.708 20 0 CFADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000665298203 414272116 /nfs/dbraw/zinc/27/21/16/414272116.db2.gz TYMLOOHPHARTRP-ZNMIVQPWSA-N 2 0 261.413 2.614 20 0 CFADRP C[C@H]([NH2+]C[C@]1(c2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000665299517 414273771 /nfs/dbraw/zinc/27/37/71/414273771.db2.gz OLYSLGJZWPCUTR-MPGHIAIKSA-N 2 0 272.436 2.942 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC[N@@H+]1C ZINC000658205684 414281540 /nfs/dbraw/zinc/28/15/40/414281540.db2.gz DTCZMADMGWRSFA-OWLYRPNTSA-N 2 0 288.435 2.631 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215779 414287281 /nfs/dbraw/zinc/28/72/81/414287281.db2.gz XHUZMGFLJDMFAN-KBXCAEBGSA-N 2 0 297.446 2.793 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878880 414292163 /nfs/dbraw/zinc/29/21/63/414292163.db2.gz RJCCGWJNSAEYQS-GVDBMIGSSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878878 414292616 /nfs/dbraw/zinc/29/26/16/414292616.db2.gz RJCCGWJNSAEYQS-BBWFWOEESA-N 2 0 280.456 2.752 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+]CCCC[NH3+])oc21 ZINC000037715237 173633694 /nfs/dbraw/zinc/63/36/94/173633694.db2.gz QWUKUWSPJPIDOX-LLVKDONJSA-N 2 0 262.353 2.831 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655683470 414359602 /nfs/dbraw/zinc/35/96/02/414359602.db2.gz SBTYKZFBGXDDOM-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655683874 414359691 /nfs/dbraw/zinc/35/96/91/414359691.db2.gz WYPORXVWVGUYTD-TZMCWYRMSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655686378 414363872 /nfs/dbraw/zinc/36/38/72/414363872.db2.gz FHWSACYUZVRFOO-ZFWWWQNUSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CS1 ZINC000655702390 414376778 /nfs/dbraw/zinc/37/67/78/414376778.db2.gz VMLWUFCYYQUTKJ-GXTWGEPZSA-N 2 0 268.470 2.877 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000658332200 414380472 /nfs/dbraw/zinc/38/04/72/414380472.db2.gz OYMNXHVAXNSMIR-DZUCGIPZSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655716938 414387327 /nfs/dbraw/zinc/38/73/27/414387327.db2.gz QLZAIEOUIVENLV-JSGCOSHPSA-N 2 0 256.459 2.592 20 0 CFADRP CCCCC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000662157147 414433976 /nfs/dbraw/zinc/43/39/76/414433976.db2.gz TZIIBYUURDNNSF-HOTGVXAUSA-N 2 0 270.461 2.734 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153402 414435214 /nfs/dbraw/zinc/43/52/14/414435214.db2.gz REZMGIUEXGXMIZ-RDJZCZTQSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000662156504 414435559 /nfs/dbraw/zinc/43/55/59/414435559.db2.gz MNBTYVUVIJKZHV-SOLBZPMBSA-N 2 0 294.483 2.734 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000655804278 414449201 /nfs/dbraw/zinc/44/92/01/414449201.db2.gz ROQCTGSCRPWLSI-BARDWOONSA-N 2 0 282.472 2.898 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000655805991 414450428 /nfs/dbraw/zinc/45/04/28/414450428.db2.gz OSYKSTHVNQKPBW-UKPHBRMFSA-N 2 0 258.409 2.912 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000655806684 414450450 /nfs/dbraw/zinc/45/04/50/414450450.db2.gz ZKDDESIFWPXBRP-PEYYIBSZSA-N 2 0 262.372 2.743 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655806858 414451126 /nfs/dbraw/zinc/45/11/26/414451126.db2.gz CPCLUPFZACMOSC-NFAWXSAZSA-N 2 0 292.423 2.695 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC000655807532 414451870 /nfs/dbraw/zinc/45/18/70/414451870.db2.gz OVHKOUAHTASQAI-MELADBBJSA-N 2 0 292.423 2.695 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000655805707 414451900 /nfs/dbraw/zinc/45/19/00/414451900.db2.gz KJDDDQNUJNQMJX-FZNQNYSPSA-N 2 0 280.456 2.656 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000655810940 414453730 /nfs/dbraw/zinc/45/37/30/414453730.db2.gz PGOHRJRGQJOICY-AWEZNQCLSA-N 2 0 276.424 2.824 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000655823907 414461272 /nfs/dbraw/zinc/46/12/72/414461272.db2.gz BZPIPAMRRUPJDM-DTORHVGOSA-N 2 0 293.358 2.592 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000655826485 414462166 /nfs/dbraw/zinc/46/21/66/414462166.db2.gz GADRRIUKSFUNPX-TXEJJXNPSA-N 2 0 270.779 2.909 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1F ZINC000655826496 414462458 /nfs/dbraw/zinc/46/24/58/414462458.db2.gz GILHNEAKKGIZCQ-OKILXGFUSA-N 2 0 250.361 2.564 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000655827344 414464222 /nfs/dbraw/zinc/46/42/22/414464222.db2.gz SZQRCQKBOOHZRV-JGZJWPJOSA-N 2 0 272.314 2.534 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000655827705 414465030 /nfs/dbraw/zinc/46/50/30/414465030.db2.gz YJBOMXZMGWKFCD-BETUJISGSA-N 2 0 284.350 2.718 20 0 CFADRP [NH3+]CC1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000662233366 414465504 /nfs/dbraw/zinc/46/55/04/414465504.db2.gz DOYGDKKZZDPEHN-MRXNPFEDSA-N 2 0 258.409 2.777 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000662236766 414467908 /nfs/dbraw/zinc/46/79/08/414467908.db2.gz HFBXBEZSHMNAGA-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000655838357 414470562 /nfs/dbraw/zinc/47/05/62/414470562.db2.gz AQMFCNSMFCULKG-WKILWMFISA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353132 414398619 /nfs/dbraw/zinc/39/86/19/414398619.db2.gz KGGUTCMLIXOXTF-CQSZACIVSA-N 2 0 276.424 2.922 20 0 CFADRP COC1([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000658353958 414398948 /nfs/dbraw/zinc/39/89/48/414398948.db2.gz UUKOUFIPVNLOCV-AWEZNQCLSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250335 414476130 /nfs/dbraw/zinc/47/61/30/414476130.db2.gz GDZRXOFBFJHBGC-HNNXBMFYSA-N 2 0 292.398 2.557 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)C1CCOCC1 ZINC000655848749 414476440 /nfs/dbraw/zinc/47/64/40/414476440.db2.gz KAINVZQULBBMRY-GVDBMIGSSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000662250228 414476699 /nfs/dbraw/zinc/47/66/99/414476699.db2.gz BIWRUJCKZGZZCB-HZPDHXFCSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000655848825 414476910 /nfs/dbraw/zinc/47/69/10/414476910.db2.gz LVVDWJJJFVLGEK-HYVNUMGLSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1ccc(F)cc1 ZINC000662251639 414476953 /nfs/dbraw/zinc/47/69/53/414476953.db2.gz GZFUFAAKTSBEOZ-CZUORRHYSA-N 2 0 292.398 2.730 20 0 CFADRP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257220 414479389 /nfs/dbraw/zinc/47/93/89/414479389.db2.gz BLAUQNFHNWQYMN-HZPDHXFCSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC000662266448 414483269 /nfs/dbraw/zinc/48/32/69/414483269.db2.gz ZGKASCUBSXYRBJ-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266048 414485098 /nfs/dbraw/zinc/48/50/98/414485098.db2.gz WBPPMVPOUNTLBI-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP C(CC1CCC1)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662273483 414488148 /nfs/dbraw/zinc/48/81/48/414488148.db2.gz NDXGDDLSGGAFAR-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP Fc1ccc(SCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000662272366 414488534 /nfs/dbraw/zinc/48/85/34/414488534.db2.gz FLEPYCJCIVPBAS-UHFFFAOYSA-N 2 0 294.439 2.993 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1Cl ZINC000662273121 414488951 /nfs/dbraw/zinc/48/89/51/414488951.db2.gz TXTLJCBZCVJDCM-GFCCVEGCSA-N 2 0 282.815 2.909 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H](OC)C2CCCCC2)CC[C@H]1[NH3+] ZINC000662271849 414489467 /nfs/dbraw/zinc/48/94/67/414489467.db2.gz JNDMIJRIWUOROT-FVQBIDKESA-N 2 0 268.445 2.641 20 0 CFADRP c1c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)onc1C1CC1 ZINC000662275081 414490409 /nfs/dbraw/zinc/49/04/09/414490409.db2.gz RIOQQXZSZAACLM-OAHLLOKOSA-N 2 0 275.396 2.516 20 0 CFADRP c1ccc(COCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000662275431 414491221 /nfs/dbraw/zinc/49/12/21/414491221.db2.gz CJBNOZRVDWQMQN-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP CC[C@@H](CC(F)F)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000662274905 414491408 /nfs/dbraw/zinc/49/14/08/414491408.db2.gz YIHQBNCKTHXFKZ-LBPRGKRZSA-N 2 0 260.372 2.743 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1 ZINC000662280427 414492348 /nfs/dbraw/zinc/49/23/48/414492348.db2.gz DKBZPFDZQHGFTR-CABCVRRESA-N 2 0 294.826 2.902 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662282232 414494292 /nfs/dbraw/zinc/49/42/92/414494292.db2.gz DNRHJCPYLOXDOI-USXIJHARSA-N 2 0 258.409 2.966 20 0 CFADRP Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662283178 414494399 /nfs/dbraw/zinc/49/43/99/414494399.db2.gz RUJIXUYQPKPRCA-DOTOQJQBSA-N 2 0 288.435 2.803 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCc1c(F)cccc1F ZINC000655941107 414495501 /nfs/dbraw/zinc/49/55/01/414495501.db2.gz MHEITYRCVWTTCO-OAHLLOKOSA-N 2 0 282.378 2.875 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000662284469 414495553 /nfs/dbraw/zinc/49/55/53/414495553.db2.gz YLJHDMDDTCTZCG-REEYDVFISA-N 2 0 292.467 2.641 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCC2CCC2)C1 ZINC000662283289 414495717 /nfs/dbraw/zinc/49/57/17/414495717.db2.gz HBXOWZOARCKUHH-IXDOHACOSA-N 2 0 280.456 2.928 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)noc2c1 ZINC000655941376 414496771 /nfs/dbraw/zinc/49/67/71/414496771.db2.gz RTHFBAPNNJAWMO-WMLDXEAASA-N 2 0 299.418 2.834 20 0 CFADRP C(C[NH+]1CCCCC1)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293419 414496778 /nfs/dbraw/zinc/49/67/78/414496778.db2.gz KUECPBCXPKWGPR-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@@H]1CCC[N@H+](CCc2noc3ccccc32)[C@@H]1CC[NH3+] ZINC000655942239 414496946 /nfs/dbraw/zinc/49/69/46/414496946.db2.gz NTHHXACWCAXKNN-CZUORRHYSA-N 2 0 287.407 2.820 20 0 CFADRP C[C@@H](c1cccnc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293345 414497278 /nfs/dbraw/zinc/49/72/78/414497278.db2.gz QREMTGLZJINSPC-WMLDXEAASA-N 2 0 273.424 2.854 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CCCC1 ZINC000662286189 414497657 /nfs/dbraw/zinc/49/76/57/414497657.db2.gz PMDLFZWPLGXUAQ-FVQBIDKESA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2CC2CCCC2)n1 ZINC000655948793 414497778 /nfs/dbraw/zinc/49/77/78/414497778.db2.gz DNRQBLAIYSZXRM-ZDUSSCGKSA-N 2 0 292.427 2.808 20 0 CFADRP CN(CCc1nsc2ccccc21)CC(C)(C)[NH3+] ZINC000662295778 414499393 /nfs/dbraw/zinc/49/93/93/414499393.db2.gz UAJALRZATTVFBJ-UHFFFAOYSA-N 2 0 263.410 2.508 20 0 CFADRP CCc1noc(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662294519 414500026 /nfs/dbraw/zinc/50/00/26/414500026.db2.gz XHXXWUBYNYLASC-OAHLLOKOSA-N 2 0 291.439 2.757 20 0 CFADRP C([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662294982 414500043 /nfs/dbraw/zinc/50/00/43/414500043.db2.gz JDOVLPRMZREJBZ-HUUCEWRRSA-N 2 0 278.440 2.600 20 0 CFADRP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000662305852 414501947 /nfs/dbraw/zinc/50/19/47/414501947.db2.gz MNQLGOIGKSQGOG-LMMWMHBBSA-N 2 0 270.420 2.993 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000662305686 414502699 /nfs/dbraw/zinc/50/26/99/414502699.db2.gz JWEMDZJVXAFHGC-CYBMUJFWSA-N 2 0 292.427 2.666 20 0 CFADRP COCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000662317240 414505504 /nfs/dbraw/zinc/50/55/04/414505504.db2.gz PGMNIYDLJFIJDF-TZMCWYRMSA-N 2 0 297.468 2.629 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000662314449 414505736 /nfs/dbraw/zinc/50/57/36/414505736.db2.gz DJVHUAFCVTYDNC-TZMCWYRMSA-N 2 0 265.401 2.576 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000662322696 414506930 /nfs/dbraw/zinc/50/69/30/414506930.db2.gz WYVRHRWXTJTRFP-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C([C@H]1CC[NH2+]C1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662322400 414507198 /nfs/dbraw/zinc/50/71/98/414507198.db2.gz LUGSGCICSXPBAR-HOCLYGCPSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325519 414507372 /nfs/dbraw/zinc/50/73/72/414507372.db2.gz HRLQLQFPWOKUNX-ZACQAIPSSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662325386 414507677 /nfs/dbraw/zinc/50/76/77/414507677.db2.gz MMRZTMPUHHJEKY-ZACQAIPSSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC2CCC2)CCO1 ZINC000662325703 414508079 /nfs/dbraw/zinc/50/80/79/414508079.db2.gz IHWIAEYFFLQTSX-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000656193292 414530597 /nfs/dbraw/zinc/53/05/97/414530597.db2.gz FERAPOWMNAXZMY-RUXDESIVSA-N 2 0 256.434 2.545 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656198694 414534024 /nfs/dbraw/zinc/53/40/24/414534024.db2.gz CICAWKCXKCXONL-HRCADAONSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)c1 ZINC000656200345 414535141 /nfs/dbraw/zinc/53/51/41/414535141.db2.gz MGCNPHKUWCYWSG-LPHOPBHVSA-N 2 0 297.446 2.789 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C ZINC000659861611 414595017 /nfs/dbraw/zinc/59/50/17/414595017.db2.gz YDMGMPZYFIOINV-GJZGRUSLSA-N 2 0 270.461 2.588 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000659871179 414600104 /nfs/dbraw/zinc/60/01/04/414600104.db2.gz OOQVZOIAFPYHNW-KURKYZTESA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000659876191 414602381 /nfs/dbraw/zinc/60/23/81/414602381.db2.gz CKCSAGLEYKEYEP-IAGOWNOFSA-N 2 0 282.472 2.590 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662782256 414609438 /nfs/dbraw/zinc/60/94/38/414609438.db2.gz IGAFMTIMBQNZSB-KRWDZBQOSA-N 2 0 295.386 2.579 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CC=CCC2)C1 ZINC000659927244 414616275 /nfs/dbraw/zinc/61/62/75/414616275.db2.gz PKQTXDZPTMNMKJ-DLBZAZTESA-N 2 0 280.456 2.510 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000656269799 414554697 /nfs/dbraw/zinc/55/46/97/414554697.db2.gz UURZZIHKXZJEHP-OIISXLGYSA-N 2 0 260.425 2.795 20 0 CFADRP C(CC1CCC1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000659844544 414581932 /nfs/dbraw/zinc/58/19/32/414581932.db2.gz JHDUVTXAIIXLJB-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000659843652 414582250 /nfs/dbraw/zinc/58/22/50/414582250.db2.gz XQRQCZSHWUGVGT-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000659844525 414582672 /nfs/dbraw/zinc/58/26/72/414582672.db2.gz NRTSXJMLXNKJAP-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1CCC(C)CC1 ZINC000659847665 414583747 /nfs/dbraw/zinc/58/37/47/414583747.db2.gz ZNTYHUQFHSTJNF-DQPZFDDXSA-N 2 0 282.472 2.731 20 0 CFADRP CCC[C@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659970574 414636458 /nfs/dbraw/zinc/63/64/58/414636458.db2.gz KNFMCQQZTKMXEX-HZPDHXFCSA-N 2 0 270.461 2.590 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659978145 414637993 /nfs/dbraw/zinc/63/79/93/414637993.db2.gz AIFXTOLZLBFQOD-INIZCTEOSA-N 2 0 268.445 2.775 20 0 CFADRP C[C@H](C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCCCC1 ZINC000038041783 174043699 /nfs/dbraw/zinc/04/36/99/174043699.db2.gz JKJTYCSNVWCXLI-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423348013 287288607 /nfs/dbraw/zinc/28/86/07/287288607.db2.gz RSDSAQMMKHPLAM-QAPCUYQASA-N 3 0 291.483 2.539 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000659982426 414640181 /nfs/dbraw/zinc/64/01/81/414640181.db2.gz MKSCMTXBWRIWMB-KURKYZTESA-N 2 0 295.515 2.628 20 0 CFADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656697681 414641432 /nfs/dbraw/zinc/64/14/32/414641432.db2.gz CXQSWVOSGUQCRL-ARFHVFGLSA-N 2 0 270.461 2.588 20 0 CFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656697286 414642322 /nfs/dbraw/zinc/64/23/22/414642322.db2.gz AGIZNAMKIRWGFD-OWCLPIDISA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)[C@H]1[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCCC2 ZINC000656700982 414643156 /nfs/dbraw/zinc/64/31/56/414643156.db2.gz YMNIYBPILCEULV-HZPDHXFCSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000375844696 287288029 /nfs/dbraw/zinc/28/80/29/287288029.db2.gz WQARKUDEZZGEHO-ZBFHGGJFSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660108703 414663888 /nfs/dbraw/zinc/66/38/88/414663888.db2.gz YUBVOCMUPBMQBC-WNRNVDISSA-N 2 0 293.499 2.523 20 0 CFADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152671 414671226 /nfs/dbraw/zinc/67/12/26/414671226.db2.gz BQOXSTFAYIFTKK-FUHWJXTLSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000040620710 174355164 /nfs/dbraw/zinc/35/51/64/174355164.db2.gz DCPLMFJZLAKWJC-AWEZNQCLSA-N 2 0 250.361 2.646 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668101 174367162 /nfs/dbraw/zinc/36/71/62/174367162.db2.gz QLPGSECFOOCNDZ-AEFFLSMTSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000040770049 174399318 /nfs/dbraw/zinc/39/93/18/174399318.db2.gz OSYXQGQCHFZCBH-ULQDDVLXSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770166 174399837 /nfs/dbraw/zinc/39/98/37/174399837.db2.gz DFSJXOAEEHGKJV-DLBZAZTESA-N 2 0 283.504 2.673 20 0 CFADRP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)sn1 ZINC000660156350 414673222 /nfs/dbraw/zinc/67/32/22/414673222.db2.gz FTNSVAWNBFYXKJ-UHFFFAOYSA-N 2 0 297.468 2.706 20 0 CFADRP CC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000663343751 414676803 /nfs/dbraw/zinc/67/68/03/414676803.db2.gz DKJYAQAEJABHQI-HNNXBMFYSA-N 2 0 250.430 2.888 20 0 CFADRP C([NH2+][C@@H]1CCCSC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343980 414676887 /nfs/dbraw/zinc/67/68/87/414676887.db2.gz LIDBPVNXTLOBIQ-HUUCEWRRSA-N 2 0 268.470 2.594 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347229 414678267 /nfs/dbraw/zinc/67/82/67/414678267.db2.gz HMTBVMVDUPGJLV-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C[NH3+])CC1 ZINC000044512016 175188506 /nfs/dbraw/zinc/18/85/06/175188506.db2.gz MPQIOCPPPMXXNF-SNVBAGLBSA-N 2 0 254.324 2.697 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000044513693 175189368 /nfs/dbraw/zinc/18/93/68/175189368.db2.gz DWLBAPOAMOMIES-UHFFFAOYSA-N 2 0 273.355 2.545 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000044515542 175189942 /nfs/dbraw/zinc/18/99/42/175189942.db2.gz XSZNPQZNXBNSAN-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516733 175190533 /nfs/dbraw/zinc/19/05/33/175190533.db2.gz CBJHQYVEFZHOOS-AWEZNQCLSA-N 2 0 276.424 2.996 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C)s2)CC1 ZINC000044517633 175190632 /nfs/dbraw/zinc/19/06/32/175190632.db2.gz KJDHLEXFNADIPL-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000044530594 175195171 /nfs/dbraw/zinc/19/51/71/175195171.db2.gz ABLNHPAGWMNIJN-GFCCVEGCSA-N 2 0 268.401 2.589 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534077 175196888 /nfs/dbraw/zinc/19/68/88/175196888.db2.gz NQWVBYWKJYWUKA-KBPBESRZSA-N 2 0 250.386 2.532 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044534085 175197693 /nfs/dbraw/zinc/19/76/93/175197693.db2.gz XWEKREIXZNLOQO-HOCLYGCPSA-N 2 0 276.424 2.558 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000044535829 175198914 /nfs/dbraw/zinc/19/89/14/175198914.db2.gz NAHBIBJBHRYCBM-ZDUSSCGKSA-N 2 0 297.240 2.881 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)CCO1 ZINC000356960766 287304209 /nfs/dbraw/zinc/30/42/09/287304209.db2.gz DAVDMUOVVOSZNK-BRWVUGGUSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414949353 287311539 /nfs/dbraw/zinc/31/15/39/287311539.db2.gz ZZJFZZXHWJMLFK-XYVMCAHJSA-N 2 0 293.499 2.617 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000070158216 175875538 /nfs/dbraw/zinc/87/55/38/175875538.db2.gz MXNHNGRCEOCGHJ-NSHDSACASA-N 2 0 254.324 2.526 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000070498139 175958210 /nfs/dbraw/zinc/95/82/10/175958210.db2.gz MVHBLVDJBBMODK-CYBMUJFWSA-N 2 0 258.409 2.735 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000070941050 176014669 /nfs/dbraw/zinc/01/46/69/176014669.db2.gz MXABDKGSWJVHCM-UHFFFAOYSA-N 2 0 257.381 2.599 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000071142071 176039952 /nfs/dbraw/zinc/03/99/52/176039952.db2.gz YYHXNRHALOFHTP-HNNXBMFYSA-N 2 0 284.403 2.890 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969622 298962800 /nfs/dbraw/zinc/96/28/00/298962800.db2.gz UXTRFVDJEXQVJH-JUVOFCAFSA-N 3 0 281.488 2.745 20 0 CFADRP Cn1cccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000072889799 176439760 /nfs/dbraw/zinc/43/97/60/176439760.db2.gz GTPNUXGBIVYQJZ-UHFFFAOYSA-N 2 0 283.419 2.911 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000157909226 287347900 /nfs/dbraw/zinc/34/79/00/287347900.db2.gz MUCTXZQLQWUCLV-BRWVUGGUSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000370879544 287367828 /nfs/dbraw/zinc/36/78/28/287367828.db2.gz UPMKWPKBOYXMEZ-IAGOWNOFSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000397375320 270318195 /nfs/dbraw/zinc/31/81/95/270318195.db2.gz IMBOXOUKVPCYAK-INMHGKMJSA-N 2 0 260.425 2.924 20 0 CFADRP CCC[NH+]1CCC(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000037786316 260118004 /nfs/dbraw/zinc/11/80/04/260118004.db2.gz JTKJUFMGHADENI-UHFFFAOYSA-N 2 0 281.488 2.713 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)sc1Cl ZINC000312748287 260196528 /nfs/dbraw/zinc/19/65/28/260196528.db2.gz DICJNJLSIVNVIK-SECBINFHSA-N 2 0 297.251 2.898 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1C ZINC000521645397 260198590 /nfs/dbraw/zinc/19/85/90/260198590.db2.gz GZXZYPSWXXYIRV-JKSUJKDBSA-N 2 0 275.440 2.681 20 0 CFADRP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390581851 262222788 /nfs/dbraw/zinc/22/27/88/262222788.db2.gz JEPZWDVKQGJKGH-BQFCYCMXSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000390647277 262234462 /nfs/dbraw/zinc/23/44/62/262234462.db2.gz IQMUXSLUBXKQIH-LPWJVIDDSA-N 2 0 260.372 2.740 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000391108625 262381479 /nfs/dbraw/zinc/38/14/79/262381479.db2.gz YWSNILFQVPEUBE-TZMCWYRMSA-N 2 0 281.469 2.894 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000391108100 262381562 /nfs/dbraw/zinc/38/15/62/262381562.db2.gz YWSNILFQVPEUBE-GXTWGEPZSA-N 2 0 281.469 2.894 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000519155789 265334758 /nfs/dbraw/zinc/33/47/58/265334758.db2.gz REEIUHKQWZEUBA-IRXDYDNUSA-N 2 0 288.435 2.777 20 0 CFADRP CCCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000236810182 270263864 /nfs/dbraw/zinc/26/38/64/270263864.db2.gz ZLSNGCWLUPZRCU-CQSZACIVSA-N 2 0 277.412 2.513 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000258803248 270274413 /nfs/dbraw/zinc/27/44/13/270274413.db2.gz ROSJJMDBENQYOM-UHFFFAOYSA-N 2 0 285.229 2.533 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000192737889 270233908 /nfs/dbraw/zinc/23/39/08/270233908.db2.gz GGBXUEAMCFNHGY-IAGOWNOFSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@H]1CCCN(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000193973997 270241365 /nfs/dbraw/zinc/24/13/65/270241365.db2.gz CMEOQANZXSPIMB-YLFCFFPRSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1nccs1 ZINC000230679706 270259624 /nfs/dbraw/zinc/25/96/24/270259624.db2.gz ISJAVYZAHBNXFV-YVECIDJPSA-N 2 0 267.442 2.565 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000397329662 270317184 /nfs/dbraw/zinc/31/71/84/270317184.db2.gz PLIUCYAICLCXEB-VYDXJSESSA-N 2 0 282.472 2.889 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)sc1Br ZINC000398353557 270321733 /nfs/dbraw/zinc/32/17/33/270321733.db2.gz KHZIMISPNYKSIB-VIFPVBQESA-N 2 0 289.242 2.518 20 0 CFADRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1C ZINC000424376596 270333365 /nfs/dbraw/zinc/33/33/65/270333365.db2.gz KZEREDCQAIEPRW-OAHLLOKOSA-N 2 0 288.435 2.968 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000459447050 270338432 /nfs/dbraw/zinc/33/84/32/270338432.db2.gz FTAXECTUMINWON-RBUKOAKNSA-N 2 0 299.462 2.648 20 0 CFADRP CSC1(C[NH2+]C2CC3(CCC3)C2)CC[NH+](C)CC1 ZINC000459557135 270339311 /nfs/dbraw/zinc/33/93/11/270339311.db2.gz COBIQZDCJXEYJQ-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP OC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000514924675 270358494 /nfs/dbraw/zinc/35/84/94/270358494.db2.gz YZQLZEBSHCDBOQ-SFHVURJKSA-N 2 0 294.483 2.782 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515311603 270367894 /nfs/dbraw/zinc/36/78/94/270367894.db2.gz PMLDFKFLXPYDMW-YIYPIFLZSA-N 2 0 256.459 2.910 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000515919471 270375933 /nfs/dbraw/zinc/37/59/33/270375933.db2.gz LERLJTCUCYJAGB-QZTJIDSGSA-N 2 0 295.515 2.772 20 0 CFADRP Brc1ccc(C[NH2+]CCCN2CCC2)s1 ZINC000516584586 270384433 /nfs/dbraw/zinc/38/44/33/270384433.db2.gz ZPGMLZFFIMKAGX-UHFFFAOYSA-N 2 0 289.242 2.696 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000516894352 270390561 /nfs/dbraw/zinc/39/05/61/270390561.db2.gz AFFPPAPHTXQONO-JSGCOSHPSA-N 2 0 275.421 2.902 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000527223229 270497350 /nfs/dbraw/zinc/49/73/50/270497350.db2.gz XWKJBCAIHLLICU-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC12CC2 ZINC000527848638 270543093 /nfs/dbraw/zinc/54/30/93/270543093.db2.gz RXRXCNRYWULTRD-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CC1CC(C)(C)C1)CC[NH2+]CC2 ZINC000530225719 270776821 /nfs/dbraw/zinc/77/68/21/270776821.db2.gz PAMDJXKCUDSGNC-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C1 ZINC000346995919 280052982 /nfs/dbraw/zinc/05/29/82/280052982.db2.gz VQJCXFQGTCSFNW-MELADBBJSA-N 2 0 256.459 2.592 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000422946228 274042463 /nfs/dbraw/zinc/04/24/63/274042463.db2.gz OJXINWCIYBFPOZ-HIFRSBDPSA-N 2 0 282.815 2.671 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCC2 ZINC000423490804 274139033 /nfs/dbraw/zinc/13/90/33/274139033.db2.gz ILBHNCWIKNUFHI-RVSPLBMKSA-N 2 0 274.408 2.790 20 0 CFADRP COc1cccc2c1CC[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000193710259 274151041 /nfs/dbraw/zinc/15/10/41/274151041.db2.gz PWBCWOFVLAJFNA-MRXNPFEDSA-N 2 0 288.435 2.580 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422741724 274244401 /nfs/dbraw/zinc/24/44/01/274244401.db2.gz QGGSBUSMXCNYFK-CRAIPNDOSA-N 2 0 287.451 2.776 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1nc2ccc(Cl)cc2n1C ZINC000423332301 274246832 /nfs/dbraw/zinc/24/68/32/274246832.db2.gz QTXMBKSNUPVGPP-SNVBAGLBSA-N 2 0 280.803 2.616 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(F)ccc1F)CC[NH2+]CC2 ZINC000335275519 274284094 /nfs/dbraw/zinc/28/40/94/274284094.db2.gz CDZPNLPNZIAZNK-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000271518432 274340484 /nfs/dbraw/zinc/34/04/84/274340484.db2.gz PYBYMVCNRVMFJH-IIAWOOMASA-N 2 0 275.440 2.571 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540422 274412070 /nfs/dbraw/zinc/41/20/70/274412070.db2.gz QGQJIZKCCHCLRA-SJKOYZFVSA-N 2 0 274.383 2.958 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415089109 274629082 /nfs/dbraw/zinc/62/90/82/274629082.db2.gz MQZZAXKCGQHRIH-ZOMKSWQUSA-N 2 0 258.409 2.898 20 0 CFADRP Cc1cc(N2CC[NH+](C3CC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000123145772 274706589 /nfs/dbraw/zinc/70/65/89/274706589.db2.gz OOOMSWUUDZXMEU-UHFFFAOYSA-N 2 0 285.366 2.967 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC3 ZINC000334838306 274767711 /nfs/dbraw/zinc/76/77/11/274767711.db2.gz SRZISNMIYHSOGW-HUUCEWRRSA-N 2 0 297.446 2.923 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423534561 275061213 /nfs/dbraw/zinc/06/12/13/275061213.db2.gz ADYNMFQFAIKDKA-QGZVFWFLSA-N 2 0 272.392 2.669 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414888521 275066733 /nfs/dbraw/zinc/06/67/33/275066733.db2.gz SEGUSJRKYOUAJR-BBWFWOEESA-N 2 0 258.409 2.739 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000414971073 275069866 /nfs/dbraw/zinc/06/98/66/275069866.db2.gz VTWBHVAWWPXRGD-IAGOWNOFSA-N 2 0 258.409 2.666 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422807369 275390328 /nfs/dbraw/zinc/39/03/28/275390328.db2.gz MMQWCTPJZYFVKD-BRWVUGGUSA-N 2 0 280.456 2.704 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1CCCCO1 ZINC000347475294 275393368 /nfs/dbraw/zinc/39/33/68/275393368.db2.gz VWFKGKVISBAGBO-JQHSSLGASA-N 2 0 292.467 2.894 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](CO)C2)CC1 ZINC000348649720 275512661 /nfs/dbraw/zinc/51/26/61/275512661.db2.gz XTRJGAJYERGSIA-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000344633737 275627152 /nfs/dbraw/zinc/62/71/52/275627152.db2.gz ALJINMSDTQGJGK-DLBZAZTESA-N 2 0 294.483 2.780 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CCOC2)CC1 ZINC000164487290 275976531 /nfs/dbraw/zinc/97/65/31/275976531.db2.gz AGHYWOJTBZFHMU-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374325078 276013794 /nfs/dbraw/zinc/01/37/94/276013794.db2.gz BLMPNFCESUGIKC-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414876842 276017577 /nfs/dbraw/zinc/01/75/77/276017577.db2.gz WNHQQEZYNDROGC-WDEREUQCSA-N 2 0 252.324 2.697 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000313835688 276019298 /nfs/dbraw/zinc/01/92/98/276019298.db2.gz AXODZYNARXRANN-KRWDZBQOSA-N 2 0 292.471 2.619 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422790403 276148680 /nfs/dbraw/zinc/14/86/80/276148680.db2.gz UARHVUBLMPHQSA-ZWKOTPCHSA-N 3 0 287.451 2.843 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000453112789 276148701 /nfs/dbraw/zinc/14/87/01/276148701.db2.gz CXPBBQNUKONEOQ-DZGCQCFKSA-N 2 0 276.428 2.601 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000453112792 276149119 /nfs/dbraw/zinc/14/91/19/276149119.db2.gz CXPBBQNUKONEOQ-ZFWWWQNUSA-N 2 0 276.428 2.601 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2)[C@@H](C)C1 ZINC000346795633 276229816 /nfs/dbraw/zinc/22/98/16/276229816.db2.gz NDMDWVGEERURRH-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177501600 276257219 /nfs/dbraw/zinc/25/72/19/276257219.db2.gz CRBAWYZEPZWCMX-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000123938336 276308506 /nfs/dbraw/zinc/30/85/06/276308506.db2.gz IFODKDOYOIOSDK-YJBOKZPZSA-N 3 0 289.467 2.568 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000373520457 276344121 /nfs/dbraw/zinc/34/41/21/276344121.db2.gz ICRIVUKYFSCZHJ-BHUNQDJPSA-N 2 0 292.467 2.941 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2occc21 ZINC000192942403 276357873 /nfs/dbraw/zinc/35/78/73/276357873.db2.gz JWDJHKCPGDVGQF-HIFRSBDPSA-N 2 0 280.412 2.603 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449080771 276384127 /nfs/dbraw/zinc/38/41/27/276384127.db2.gz ZBRIVNMDPFIPFO-FGTMMUONSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)[C@@H](C)C1 ZINC000336804043 276399601 /nfs/dbraw/zinc/39/96/01/276399601.db2.gz FNLQGZOOZMIAAL-ZNMIVQPWSA-N 2 0 268.445 2.606 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000331800580 276692611 /nfs/dbraw/zinc/69/26/11/276692611.db2.gz JWYBQTIYPMJWFI-SDDRHHMPSA-N 2 0 279.453 2.942 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000372398827 276783106 /nfs/dbraw/zinc/78/31/06/276783106.db2.gz VZOXRRKBDDSWMH-INIZCTEOSA-N 2 0 288.435 2.826 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000365060612 276885573 /nfs/dbraw/zinc/88/55/73/276885573.db2.gz HAPXFBYTBZKZIA-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000423209054 277022962 /nfs/dbraw/zinc/02/29/62/277022962.db2.gz ZNMWITIIEQROBT-CQSZACIVSA-N 2 0 280.437 2.821 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000336146054 277023593 /nfs/dbraw/zinc/02/35/93/277023593.db2.gz ZWGGUHASUNLFHU-INIZCTEOSA-N 2 0 276.811 2.659 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000361897651 277026705 /nfs/dbraw/zinc/02/67/05/277026705.db2.gz UZISDTGEIZLEBS-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000335908852 277026796 /nfs/dbraw/zinc/02/67/96/277026796.db2.gz HUDQWPFBRIUOOW-HNNXBMFYSA-N 2 0 280.362 2.884 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000270509091 277032888 /nfs/dbraw/zinc/03/28/88/277032888.db2.gz RGCRKNMRYNOPPO-OAHLLOKOSA-N 2 0 276.399 2.989 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC2(Cc3ccccc3C2)C1 ZINC000371327216 277077854 /nfs/dbraw/zinc/07/78/54/277077854.db2.gz UTJFSECOVFXWFW-SFHVURJKSA-N 2 0 284.447 2.962 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423479700 277082758 /nfs/dbraw/zinc/08/27/58/277082758.db2.gz MNBHTKZRCFGHGY-CJNGLKHVSA-N 2 0 289.423 2.828 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000358673194 277151405 /nfs/dbraw/zinc/15/14/05/277151405.db2.gz GKUMJRNADVCJJV-UHFFFAOYSA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@@H]1c1ccccc1 ZINC000365829639 277162945 /nfs/dbraw/zinc/16/29/45/277162945.db2.gz YCNXQFCVYIURIZ-KURKYZTESA-N 2 0 286.419 2.962 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000414701347 277172520 /nfs/dbraw/zinc/17/25/20/277172520.db2.gz VUBUZVMINHYMHQ-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422840588 277192768 /nfs/dbraw/zinc/19/27/68/277192768.db2.gz UBQCAGBPYGETFN-IRKLFDGPSA-N 2 0 280.456 2.702 20 0 CFADRP COC1CCC([NH2+]C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000130025394 277193404 /nfs/dbraw/zinc/19/34/04/277193404.db2.gz KOHICWZUIFFEFO-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCC3CCCCCC3)C[C@@H]2C1 ZINC000367326220 277198102 /nfs/dbraw/zinc/19/81/02/277198102.db2.gz IWGISOWLWPDVMS-IYBDPMFKSA-N 2 0 250.430 2.840 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157214813 277214292 /nfs/dbraw/zinc/21/42/92/277214292.db2.gz NHAPSXQJHMIWCJ-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340699405 277216002 /nfs/dbraw/zinc/21/60/02/277216002.db2.gz AKVMYDBUBFWKJL-SFHVURJKSA-N 2 0 290.451 2.567 20 0 CFADRP COC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423148085 277260395 /nfs/dbraw/zinc/26/03/95/277260395.db2.gz FFLGLEIKYTVCDU-YCPHGPKFSA-N 2 0 296.842 2.787 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000414342070 277303290 /nfs/dbraw/zinc/30/32/90/277303290.db2.gz WWOLKMPOZHKCEB-HZPDHXFCSA-N 2 0 273.424 2.576 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000279650272 277334284 /nfs/dbraw/zinc/33/42/84/277334284.db2.gz BUCOUNXUELHOQO-HOCLYGCPSA-N 2 0 264.413 2.694 20 0 CFADRP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000361266069 277360452 /nfs/dbraw/zinc/36/04/52/277360452.db2.gz LWAXPEQNCMHDHS-DLBZAZTESA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000361266071 277365732 /nfs/dbraw/zinc/36/57/32/277365732.db2.gz LWAXPEQNCMHDHS-IRXDYDNUSA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423260304 277427007 /nfs/dbraw/zinc/42/70/07/277427007.db2.gz PXCVFLOMLPJEBA-OWCLPIDISA-N 2 0 282.472 2.805 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000234753400 277563815 /nfs/dbraw/zinc/56/38/15/277563815.db2.gz QYMFJWJWJFFCGO-HIFRSBDPSA-N 2 0 294.439 2.945 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000186737439 277584925 /nfs/dbraw/zinc/58/49/25/277584925.db2.gz PLZQPKYLDLBPHD-INIZCTEOSA-N 2 0 281.488 2.713 20 0 CFADRP C([NH2+][C@H]1CCCC[C@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000423307663 277722905 /nfs/dbraw/zinc/72/29/05/277722905.db2.gz WGYMUNNGVDMECD-HOTGVXAUSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423394455 277901599 /nfs/dbraw/zinc/90/15/99/277901599.db2.gz ZSCHNQPYWARYPT-PVAVHDDUSA-N 2 0 260.425 2.984 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423221034 277901741 /nfs/dbraw/zinc/90/17/41/277901741.db2.gz ZCIKDJMHLRERIE-SJORKVTESA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414800651 277909676 /nfs/dbraw/zinc/90/96/76/277909676.db2.gz SKVPVTHMRNCOJR-GMTAPVOTSA-N 2 0 252.324 2.680 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000092837150 277981350 /nfs/dbraw/zinc/98/13/50/277981350.db2.gz BXWVPPWGLHTELV-ZUEPYMLJSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422752732 278002126 /nfs/dbraw/zinc/00/21/26/278002126.db2.gz FGZPUPPTMQGMNW-YYIAUSFCSA-N 2 0 295.515 2.721 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422881477 278003387 /nfs/dbraw/zinc/00/33/87/278003387.db2.gz NUVJWYJVNCQGCX-YYIAUSFCSA-N 2 0 281.488 2.604 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415089596 278033254 /nfs/dbraw/zinc/03/32/54/278033254.db2.gz NTVFPLNINVIDFA-XEZPLFJOSA-N 2 0 274.408 2.660 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423322094 278033275 /nfs/dbraw/zinc/03/32/75/278033275.db2.gz GXEXWZHRUWGTLQ-DOTOQJQBSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422885479 278037564 /nfs/dbraw/zinc/03/75/64/278037564.db2.gz YVPWFCSJXUDRBU-XOKHGSTOSA-N 2 0 276.424 2.652 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423250791 278049633 /nfs/dbraw/zinc/04/96/33/278049633.db2.gz VLJLPPHONZFQEB-BMGDILEWSA-N 2 0 289.467 2.930 20 0 CFADRP CSC1(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CCC1 ZINC000356101196 278122435 /nfs/dbraw/zinc/12/24/35/278122435.db2.gz PYARCXWWZMIVFD-ZDUSSCGKSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305145404 278124387 /nfs/dbraw/zinc/12/43/87/278124387.db2.gz NHWLCVZRPUOSQI-ROUUACIJSA-N 2 0 294.483 2.924 20 0 CFADRP CC1(C)CCC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261583418 278196591 /nfs/dbraw/zinc/19/65/91/278196591.db2.gz RSRGPIIINSLFRK-GJZGRUSLSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC000338000197 278209646 /nfs/dbraw/zinc/20/96/46/278209646.db2.gz UVINZVLCCZWCSS-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCCC[C@H]1C ZINC000353458390 278209827 /nfs/dbraw/zinc/20/98/27/278209827.db2.gz CPFSWFOYSFQAAA-UYTYNIKBSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CCSCC1)C[NH+]1CCCC1 ZINC000187028252 278210325 /nfs/dbraw/zinc/21/03/25/278210325.db2.gz ZQUFQHKRAQYOHD-ZIAGYGMSSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCS1 ZINC000149527786 278216112 /nfs/dbraw/zinc/21/61/12/278216112.db2.gz OYESMMBNTXGHNQ-RDBSUJKOSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CSc2ccccc21 ZINC000422750931 278227584 /nfs/dbraw/zinc/22/75/84/278227584.db2.gz AQJIZJRRIBVCRN-WCQYABFASA-N 2 0 250.411 2.941 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000422985969 278228307 /nfs/dbraw/zinc/22/83/07/278228307.db2.gz GDGMGHQXDNFRMQ-NHYWBVRUSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423294231 278245543 /nfs/dbraw/zinc/24/55/43/278245543.db2.gz BKLUAHVCNBNWBK-TVQRCGJNSA-N 2 0 283.213 2.621 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000128637756 278257509 /nfs/dbraw/zinc/25/75/09/278257509.db2.gz LAWGRTHKEAJNKZ-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C[NH+](C)C ZINC000310835080 278285940 /nfs/dbraw/zinc/28/59/40/278285940.db2.gz JQOACEMCDIELHT-XHDPSFHLSA-N 2 0 266.816 2.595 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1OCCc2sccc21 ZINC000423132490 278334242 /nfs/dbraw/zinc/33/42/42/278334242.db2.gz PHNOMWDJSMNACM-NEQJSVFRSA-N 2 0 294.464 2.858 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261992455 278334393 /nfs/dbraw/zinc/33/43/93/278334393.db2.gz SMCFXNFQRYGQPK-CQSZACIVSA-N 2 0 258.409 2.779 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000090523610 278336192 /nfs/dbraw/zinc/33/61/92/278336192.db2.gz ATZSYSCRIKDNRY-JLSDUUJJSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000127102477 278338220 /nfs/dbraw/zinc/33/82/20/278338220.db2.gz XQBFRRAPVLJJDC-CAOSSQGBSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449508449 278341808 /nfs/dbraw/zinc/34/18/08/278341808.db2.gz NFMAPPRSMCVNKK-IRXDYDNUSA-N 2 0 294.483 2.636 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417877656 278342003 /nfs/dbraw/zinc/34/20/03/278342003.db2.gz RQHMQRBOXAEPLX-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3[NH3+])CC2)C1 ZINC000424362715 278347577 /nfs/dbraw/zinc/34/75/77/278347577.db2.gz ASKCCFIKWPHUQI-DZOHQFGASA-N 2 0 293.499 2.889 20 0 CFADRP C[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)CC12CCC2 ZINC000357049518 278367825 /nfs/dbraw/zinc/36/78/25/278367825.db2.gz XMBGAWBRHFKHDI-LSDHHAIUSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)C1C[NH2+]C1 ZINC000335600729 278374707 /nfs/dbraw/zinc/37/47/07/278374707.db2.gz ASSBMTAYUXIGRT-YMTOWFKASA-N 2 0 250.773 2.525 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423336491 278387632 /nfs/dbraw/zinc/38/76/32/278387632.db2.gz HAAIUFMOEXYVQX-SJCJKPOMSA-N 2 0 274.383 2.958 20 0 CFADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423304192 278428335 /nfs/dbraw/zinc/42/83/35/278428335.db2.gz NMFGRKGGMYLLBB-MNOVXSKESA-N 2 0 275.421 2.597 20 0 CFADRP C[C@@H]1CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000122982474 278447121 /nfs/dbraw/zinc/44/71/21/278447121.db2.gz PCLVQOROJHZIEY-CHWSQXEVSA-N 2 0 268.445 2.795 20 0 CFADRP Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154890436 278672689 /nfs/dbraw/zinc/67/26/89/278672689.db2.gz KOXQZMZNRKMQKA-IAGOWNOFSA-N 2 0 289.467 2.590 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000423388317 288070266 /nfs/dbraw/zinc/07/02/66/288070266.db2.gz IOAWAHLUXLXRFK-VHDGCEQUSA-N 2 0 292.423 2.743 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccncc1 ZINC000423550012 288072199 /nfs/dbraw/zinc/07/21/99/288072199.db2.gz NOSMCWIFUMRIGC-QXSJWSMHSA-N 2 0 259.397 2.510 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000400983517 288072733 /nfs/dbraw/zinc/07/27/33/288072733.db2.gz VJMVUEFUQRRKCR-JONQDZQNSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCCO1 ZINC000423016722 288074500 /nfs/dbraw/zinc/07/45/00/288074500.db2.gz UKEXIJZSPOISGZ-CAOSSQGBSA-N 2 0 260.381 2.678 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)[C@H]1CCOC1 ZINC000311576417 288076795 /nfs/dbraw/zinc/07/67/95/288076795.db2.gz SETSSNSVAHPALO-PMPSAXMXSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000229260272 278842896 /nfs/dbraw/zinc/84/28/96/278842896.db2.gz LMHDGEBBYWOHCR-OAHLLOKOSA-N 2 0 274.408 2.974 20 0 CFADRP CC(C)C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414991187 278918143 /nfs/dbraw/zinc/91/81/43/278918143.db2.gz AOVXGVRGROJPIQ-GOEBONIOSA-N 2 0 264.388 2.764 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261620 279023485 /nfs/dbraw/zinc/02/34/85/279023485.db2.gz SNJRWEHGEOVGML-CPUCHLNUSA-N 2 0 258.409 2.899 20 0 CFADRP CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422961549 279066691 /nfs/dbraw/zinc/06/66/91/279066691.db2.gz ZDWRJMZRBKFSMA-HOTGVXAUSA-N 2 0 297.487 2.535 20 0 CFADRP CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414700918 288102526 /nfs/dbraw/zinc/10/25/26/288102526.db2.gz GXPBCHHOPYBWAK-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000037786507 288102679 /nfs/dbraw/zinc/10/26/79/288102679.db2.gz KOEUSSJLELITDB-FMKPAKJESA-N 2 0 281.488 2.568 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124758 279094265 /nfs/dbraw/zinc/09/42/65/279094265.db2.gz NGYGSYJQQWQPLC-BHYGNILZSA-N 2 0 282.472 2.887 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000338288665 279094621 /nfs/dbraw/zinc/09/46/21/279094621.db2.gz MHWKEEVYGFPPDA-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369194330 279095787 /nfs/dbraw/zinc/09/57/87/279095787.db2.gz OUKITSSZYXPVIB-BZSNNMDCSA-N 2 0 295.515 2.626 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161772609 279100646 /nfs/dbraw/zinc/10/06/46/279100646.db2.gz JOJRTEUKKPCMLY-ODIFPOPNSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341906816 288104153 /nfs/dbraw/zinc/10/41/53/288104153.db2.gz XPIXQCBSJRNFFX-HMDCTGQHSA-N 2 0 281.488 2.568 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000347437145 279125137 /nfs/dbraw/zinc/12/51/37/279125137.db2.gz KXHGNOIJPPYFFT-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000036304417 279137524 /nfs/dbraw/zinc/13/75/24/279137524.db2.gz OUJCZYYNLHTSOY-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CCC1 ZINC000420309037 279217331 /nfs/dbraw/zinc/21/73/31/279217331.db2.gz SUKSRNSTKIQDFA-CQSZACIVSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423433574 279255188 /nfs/dbraw/zinc/25/51/88/279255188.db2.gz KAKFOLFUQJMQAL-DOMZBBRYSA-N 2 0 291.439 2.978 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000422926179 279255280 /nfs/dbraw/zinc/25/52/80/279255280.db2.gz CPYRMQQMBGSVCC-ZWNOBZJWSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000415015458 279256445 /nfs/dbraw/zinc/25/64/45/279256445.db2.gz ASUKOGPRLKEOBV-YGRLFVJLSA-N 2 0 252.789 2.524 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181823206 279257162 /nfs/dbraw/zinc/25/71/62/279257162.db2.gz VLCQUXGIRUCOPY-ZACQAIPSSA-N 2 0 294.483 2.902 20 0 CFADRP Clc1ccc([C@@H](CC2CC2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423299436 279292040 /nfs/dbraw/zinc/29/20/40/279292040.db2.gz BOBDHJBDPNLVSM-OAHLLOKOSA-N 2 0 264.800 2.990 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000336807983 279355347 /nfs/dbraw/zinc/35/53/47/279355347.db2.gz NVIAFKGMTLRENC-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000336807982 279355451 /nfs/dbraw/zinc/35/54/51/279355451.db2.gz NVIAFKGMTLRENC-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000423117423 279372233 /nfs/dbraw/zinc/37/22/33/279372233.db2.gz VKKGYVWGXBZNEE-IIAWOOMASA-N 2 0 290.455 2.698 20 0 CFADRP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000353575279 279383343 /nfs/dbraw/zinc/38/33/43/279383343.db2.gz ZMSXTQPDDRZALZ-AWEZNQCLSA-N 2 0 269.477 2.568 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423222244 279399942 /nfs/dbraw/zinc/39/99/42/279399942.db2.gz AIFUVFYWHGRPJR-JOYOIKCWSA-N 2 0 287.329 2.805 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000423116680 279638199 /nfs/dbraw/zinc/63/81/99/279638199.db2.gz QZJGSEQBAAYRFY-RWMBFGLXSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000353948076 279917179 /nfs/dbraw/zinc/91/71/79/279917179.db2.gz RGNPDRUZFFBSFX-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[NH2+]1 ZINC000415106922 279994040 /nfs/dbraw/zinc/99/40/40/279994040.db2.gz OFPQUVLVBFLMBQ-MVJTYMMSSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000360858389 280024687 /nfs/dbraw/zinc/02/46/87/280024687.db2.gz LESYHIXJUCPBTL-BLLLJJGKSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126409361 280025586 /nfs/dbraw/zinc/02/55/86/280025586.db2.gz AVDOAZWLIQMUQL-SJCJKPOMSA-N 2 0 276.399 2.990 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415088939 280035916 /nfs/dbraw/zinc/03/59/16/280035916.db2.gz MQZZAXKCGQHRIH-CFAJVAMVSA-N 2 0 258.409 2.898 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159905732 280039583 /nfs/dbraw/zinc/03/95/83/280039583.db2.gz BQWZHRSMFIGKJQ-MELADBBJSA-N 2 0 256.459 2.735 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422829249 280044925 /nfs/dbraw/zinc/04/49/25/280044925.db2.gz BOAZJPPNVUBHFJ-ZOBORPQBSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]1c2ccccc2CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359185625 280125483 /nfs/dbraw/zinc/12/54/83/280125483.db2.gz GJXFZWCQWUCFJB-AWEZNQCLSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Nc1ccccc1 ZINC000422979148 280255787 /nfs/dbraw/zinc/25/57/87/280255787.db2.gz LMCCAUNIAZGVSR-PVAVHDDUSA-N 2 0 275.440 2.840 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401009915 280307457 /nfs/dbraw/zinc/30/74/57/280307457.db2.gz GLOIQEFTMZSXAT-OLMNGRFOSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423257382 280325724 /nfs/dbraw/zinc/32/57/24/280325724.db2.gz JCRMWRPVRWPISS-BBRMVZONSA-N 2 0 279.403 2.897 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000430723770 280328605 /nfs/dbraw/zinc/32/86/05/280328605.db2.gz PHSCEEXZIWXLMB-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000093942172 280525786 /nfs/dbraw/zinc/52/57/86/280525786.db2.gz JUVVEXLDMLWGDI-JZXOWHBKSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000093215870 280574700 /nfs/dbraw/zinc/57/47/00/280574700.db2.gz FVXLXELVXZKHTE-WDEREUQCSA-N 2 0 256.752 2.839 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000116387081 280602664 /nfs/dbraw/zinc/60/26/64/280602664.db2.gz ILHJOIZDMPXZQN-QGZVFWFLSA-N 2 0 260.425 2.939 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@H](C)CCOC)[NH+]1CCCC1 ZINC000132336830 280729708 /nfs/dbraw/zinc/72/97/08/280729708.db2.gz VMBJSFNIOVMDSW-ZBFHGGJFSA-N 2 0 270.461 2.902 20 0 CFADRP CCCn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000134210782 280754559 /nfs/dbraw/zinc/75/45/59/280754559.db2.gz IJMHYOYJXNRVFT-UHFFFAOYSA-N 2 0 290.455 2.601 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000186603517 280849161 /nfs/dbraw/zinc/84/91/61/280849161.db2.gz VFPNLUJEGBJXOQ-BPQIPLTHSA-N 2 0 293.499 2.571 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539486 280867568 /nfs/dbraw/zinc/86/75/68/280867568.db2.gz IKKRVDRGVRYCPP-XMTFNYHQSA-N 2 0 272.436 2.985 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000191029421 280894161 /nfs/dbraw/zinc/89/41/61/280894161.db2.gz VBFVFMCFSFVJIO-GOSISDBHSA-N 2 0 296.499 2.981 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000245851758 280963393 /nfs/dbraw/zinc/96/33/93/280963393.db2.gz MKUIFJXGUKGORM-RCCFBDPRSA-N 2 0 295.515 2.913 20 0 CFADRP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000335044330 281001871 /nfs/dbraw/zinc/00/18/71/281001871.db2.gz JMDWOJQQNYBWDX-CABCVRRESA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247134038 281006354 /nfs/dbraw/zinc/00/63/54/281006354.db2.gz AUYKQVOISNYYDW-IRXDYDNUSA-N 2 0 282.472 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2C)[C@@H](C)C1 ZINC000247156951 281006575 /nfs/dbraw/zinc/00/65/75/281006575.db2.gz RUXQPVQCXSKQGN-YOEHRIQHSA-N 2 0 278.415 2.997 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000247248011 281008546 /nfs/dbraw/zinc/00/85/46/281008546.db2.gz YCUVPEZPNKUIOX-BLLLJJGKSA-N 2 0 282.378 2.827 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000247254641 281008618 /nfs/dbraw/zinc/00/86/18/281008618.db2.gz ZYASOGWEZSRXQH-RLFYNMQTSA-N 2 0 290.451 2.946 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000247266242 281008727 /nfs/dbraw/zinc/00/87/27/281008727.db2.gz QTVLJTDWWKVKQH-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1(C)C ZINC000247262655 281008765 /nfs/dbraw/zinc/00/87/65/281008765.db2.gz ZHHBXAQRGJRQFI-SQCNAZHOSA-N 2 0 268.445 2.508 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000247892906 281016793 /nfs/dbraw/zinc/01/67/93/281016793.db2.gz FWIZEJSTJGQPKT-ZNMIVQPWSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000247972818 281017152 /nfs/dbraw/zinc/01/71/52/281017152.db2.gz HNHNLWMBTQHBDD-CPUCHLNUSA-N 2 0 258.409 2.851 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000247974984 281017668 /nfs/dbraw/zinc/01/76/68/281017668.db2.gz KQWLBLNWSISETH-ULQDDVLXSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000248166488 281018700 /nfs/dbraw/zinc/01/87/00/281018700.db2.gz TUCRKTHDPKEAET-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000248649628 281030370 /nfs/dbraw/zinc/03/03/70/281030370.db2.gz VUDZZUHGMIPTTH-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000501056278 281069669 /nfs/dbraw/zinc/06/96/69/281069669.db2.gz RPHYPVWGPIXBAF-ZWKOTPCHSA-N 2 0 295.515 2.961 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252644148 281076513 /nfs/dbraw/zinc/07/65/13/281076513.db2.gz NLGGMWQEVGFEGP-BFYDXBDKSA-N 2 0 290.451 2.864 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000252696362 281077021 /nfs/dbraw/zinc/07/70/21/281077021.db2.gz ZIRSYZGWIFLUKA-SJLPKXTDSA-N 2 0 272.436 2.939 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000259073610 281111602 /nfs/dbraw/zinc/11/16/02/281111602.db2.gz RZUNAKIRDZTJOH-GFCCVEGCSA-N 2 0 268.788 2.580 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000396782089 281197200 /nfs/dbraw/zinc/19/72/00/281197200.db2.gz JOZHQYQTVIPASX-DLBZAZTESA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397625353 281199801 /nfs/dbraw/zinc/19/98/01/281199801.db2.gz XUYYVIFQJWRDPT-MRXNPFEDSA-N 3 0 289.467 2.616 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000397037231 281199909 /nfs/dbraw/zinc/19/99/09/281199909.db2.gz GJCRSEXJMKUXEB-AXFHLTTASA-N 2 0 252.324 2.695 20 0 CFADRP C[C@H](CCO)CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000397801766 281202267 /nfs/dbraw/zinc/20/22/67/281202267.db2.gz WKKZFUDXQHNSSD-WMZOPIPTSA-N 2 0 290.451 2.649 20 0 CFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000398175932 281204822 /nfs/dbraw/zinc/20/48/22/281204822.db2.gz GIYSLIXXIHSRRI-FUHWJXTLSA-N 2 0 291.483 2.860 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1c(F)cccc1Cl ZINC000420372888 281220111 /nfs/dbraw/zinc/22/01/11/281220111.db2.gz YKJKWYYSJNMKGP-AWEZNQCLSA-N 2 0 284.806 2.999 20 0 CFADRP CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000422930496 281222315 /nfs/dbraw/zinc/22/23/15/281222315.db2.gz UQZLAIPPOTYXRB-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422929825 281222530 /nfs/dbraw/zinc/22/25/30/281222530.db2.gz AEGOYDJTRXPLSV-OCCSQVGLSA-N 2 0 278.396 2.626 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423011872 281223366 /nfs/dbraw/zinc/22/33/66/281223366.db2.gz BSZWQNXVDFMLOC-AAEUAGOBSA-N 2 0 252.427 2.577 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)o1 ZINC000423009599 281223375 /nfs/dbraw/zinc/22/33/75/281223375.db2.gz VWMQYKKXPYBFIR-ZLDLUXBVSA-N 2 0 250.386 2.639 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424372936 281227524 /nfs/dbraw/zinc/22/75/24/281227524.db2.gz IWJOSVCYOWHRJT-VJUNAUMWSA-N 2 0 258.409 2.723 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000435392557 281235002 /nfs/dbraw/zinc/23/50/02/281235002.db2.gz XDQGNAOIYCHFLZ-NUEKZKHPSA-N 2 0 276.449 2.968 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000449344399 281242196 /nfs/dbraw/zinc/24/21/96/281242196.db2.gz QUKLJLGZJDZGPG-SFHVURJKSA-N 2 0 272.436 2.955 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)n1 ZINC000334191747 281256206 /nfs/dbraw/zinc/25/62/06/281256206.db2.gz IPTSLYBTXXKGMG-HZPDHXFCSA-N 2 0 259.397 2.527 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CC(C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000459366382 281257077 /nfs/dbraw/zinc/25/70/77/281257077.db2.gz MYQPFABFNHQURL-JCYILVPMSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546611 281270156 /nfs/dbraw/zinc/27/01/56/281270156.db2.gz FPBWCBWNNVNDFG-KRWDZBQOSA-N 2 0 256.393 2.882 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000516423675 281303541 /nfs/dbraw/zinc/30/35/41/281303541.db2.gz LPZQLZRVTCXBPK-XLAORIBOSA-N 2 0 287.451 2.587 20 0 CFADRP CCCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000520367534 281309979 /nfs/dbraw/zinc/30/99/79/281309979.db2.gz MFRUIRWILFWCDB-UHFFFAOYSA-N 2 0 276.424 2.955 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCN1CC[C@@H](C)C1 ZINC000527348171 281329660 /nfs/dbraw/zinc/32/96/60/281329660.db2.gz FIHNWUVVGQKVTK-ZIAGYGMSSA-N 2 0 264.388 2.688 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527656296 281337890 /nfs/dbraw/zinc/33/78/90/281337890.db2.gz XPQPEJLOWZWAAT-VXGBXAGGSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527669814 281339443 /nfs/dbraw/zinc/33/94/43/281339443.db2.gz JCMRKLHLOBFBLE-AMMHQNNLSA-N 2 0 250.430 2.883 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527719639 281344347 /nfs/dbraw/zinc/34/43/47/281344347.db2.gz IMTRXGUQADMYGF-GSWUYIABSA-N 2 0 250.430 2.883 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423385715 288325103 /nfs/dbraw/zinc/32/51/03/288325103.db2.gz GXXOXDZPCVWYHL-VCTAVGKDSA-N 2 0 264.800 2.915 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000376467652 281517741 /nfs/dbraw/zinc/51/77/41/281517741.db2.gz GQASGRHLQQADNO-GVDBMIGSSA-N 2 0 292.467 2.654 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000542790767 281633614 /nfs/dbraw/zinc/63/36/14/281633614.db2.gz OKCHFWOPGFQHHM-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423107651 288356192 /nfs/dbraw/zinc/35/61/92/288356192.db2.gz LFPCHMPHNQETAS-NQNKBUKLSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)C(C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)C(C)C ZINC000551802446 281841925 /nfs/dbraw/zinc/84/19/25/281841925.db2.gz DYVJPYZKSWWPSC-MRXNPFEDSA-N 2 0 283.504 2.530 20 0 CFADRP CC(C)[C@H]1CC[C@H]1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000552071092 281852687 /nfs/dbraw/zinc/85/26/87/281852687.db2.gz OYUYUOVMVYAZEU-HUUCEWRRSA-N 2 0 288.439 2.680 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000558242017 281978540 /nfs/dbraw/zinc/97/85/40/281978540.db2.gz WQXZMORCRNEKAS-ZACQAIPSSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)C(C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000560076909 282014991 /nfs/dbraw/zinc/01/49/91/282014991.db2.gz LSJPDAFSXPVKJA-ROUUACIJSA-N 2 0 296.499 2.882 20 0 CFADRP CC(C)C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC000560257067 282019795 /nfs/dbraw/zinc/01/97/95/282019795.db2.gz KADITFXLLJEMLP-UHFFFAOYSA-N 2 0 296.499 2.959 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000560291373 282020554 /nfs/dbraw/zinc/02/05/54/282020554.db2.gz LQYYXOKUXRMJCM-LXTVHRRPSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)o1 ZINC000560523045 282032933 /nfs/dbraw/zinc/03/29/33/282032933.db2.gz ZSWNYIXYURWSHT-XHSDSOJGSA-N 2 0 262.397 2.593 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000560954321 282044671 /nfs/dbraw/zinc/04/46/71/282044671.db2.gz OLRGXTVFRLBMCS-QWHCGFSZSA-N 2 0 268.788 2.708 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1scnc1C1CC1 ZINC000560971187 282044726 /nfs/dbraw/zinc/04/47/26/282044726.db2.gz VONRBJGZCFUOQE-KCXRBIIJSA-N 2 0 277.437 2.626 20 0 CFADRP CCc1c(C)[nH+]c2ccccc2c1N[C@@H](C)C[NH+](C)C ZINC000561430839 282054313 /nfs/dbraw/zinc/05/43/13/282054313.db2.gz KCMCEYFFMJPJRC-LBPRGKRZSA-N 2 0 271.408 2.890 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCCC(C)(C)C1 ZINC000561981151 282064278 /nfs/dbraw/zinc/06/42/78/282064278.db2.gz ZOWWUFVLOZWFQW-KRWDZBQOSA-N 2 0 295.515 2.772 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000562056173 282065852 /nfs/dbraw/zinc/06/58/52/282065852.db2.gz CQFFXESBDRQYLE-RYRKJORJSA-N 2 0 296.499 2.884 20 0 CFADRP CC(C)C1CC(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000562331027 282074711 /nfs/dbraw/zinc/07/47/11/282074711.db2.gz VEUVCKYCVSNXKB-UHFFFAOYSA-N 2 0 288.439 2.680 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1C ZINC000450776677 282074785 /nfs/dbraw/zinc/07/47/85/282074785.db2.gz HVNSACVLZUHWAT-PBHICJAKSA-N 2 0 281.403 2.992 20 0 CFADRP COCC[C@H](C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423169694 292665368 /nfs/dbraw/zinc/66/53/68/292665368.db2.gz KDXAOTAHPLJSOX-KKUMJFAQSA-N 2 0 256.434 2.559 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423031868 289094468 /nfs/dbraw/zinc/09/44/68/289094468.db2.gz DVMXPJLSOJRKKI-GVDBMIGSSA-N 2 0 293.499 2.619 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459808684 289118234 /nfs/dbraw/zinc/11/82/34/289118234.db2.gz SGXZNTVZJJMPOF-STQMWFEESA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000423127204 289460186 /nfs/dbraw/zinc/46/01/86/289460186.db2.gz JRWAFBDWKPOKOY-XUJVJEKNSA-N 2 0 282.453 2.858 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000310158263 289464632 /nfs/dbraw/zinc/46/46/32/289464632.db2.gz PCTDGGHJGYJJGX-GMTAPVOTSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848886 289506220 /nfs/dbraw/zinc/50/62/20/289506220.db2.gz GVCLIJQVYSXFKO-VYDXJSESSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000364390331 289691563 /nfs/dbraw/zinc/69/15/63/289691563.db2.gz XENYFKRQBDUCBT-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000449129359 289696358 /nfs/dbraw/zinc/69/63/58/289696358.db2.gz BUMRDTQLQICPKU-BRSBDYLESA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000422830579 289727813 /nfs/dbraw/zinc/72/78/13/289727813.db2.gz VTFORSUJRMWJOQ-QZWWFDLISA-N 2 0 282.472 2.828 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414929049 289729241 /nfs/dbraw/zinc/72/92/41/289729241.db2.gz NJQBSYNLCRGSGD-PVUWLOKVSA-N 2 0 273.424 2.766 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000423293736 289796720 /nfs/dbraw/zinc/79/67/20/289796720.db2.gz RZNIXEBRDUKETP-BLLLJJGKSA-N 2 0 284.407 2.681 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000155008951 289908595 /nfs/dbraw/zinc/90/85/95/289908595.db2.gz AJENJCUFMFDCCK-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423245448 289961529 /nfs/dbraw/zinc/96/15/29/289961529.db2.gz IXLGNIHDACUQOE-QWHCGFSZSA-N 2 0 279.403 2.542 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000311847244 290015441 /nfs/dbraw/zinc/01/54/41/290015441.db2.gz VEUBMFAKDFUQFL-HNNXBMFYSA-N 2 0 282.815 2.780 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699555 290018130 /nfs/dbraw/zinc/01/81/30/290018130.db2.gz CISDZOYYRVNYSW-KGLIPLIRSA-N 2 0 297.240 2.851 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1N(C)C ZINC000423385555 290053526 /nfs/dbraw/zinc/05/35/26/290053526.db2.gz RAKCYBOBTIUJPN-RDBSUJKOSA-N 2 0 261.413 2.544 20 0 CFADRP CS[C@@H]1CC[NH+]([C@H](C)CC[N@H+]2CC[C@@H](SC)C2)C1 ZINC000562548225 290054454 /nfs/dbraw/zinc/05/44/54/290054454.db2.gz OWOQGBVLGZDBGM-MGPQQGTHSA-N 2 0 288.526 2.640 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000562744356 290072753 /nfs/dbraw/zinc/07/27/53/290072753.db2.gz ZTGPBUAYZITSFE-OAHLLOKOSA-N 2 0 298.434 2.864 20 0 CFADRP C[C@@H](NCc1csc(-c2ccco2)n1)[C@H]1CCC[NH2+]C1 ZINC000562744305 290072806 /nfs/dbraw/zinc/07/28/06/290072806.db2.gz CZXSRFROAQGMAD-NEPJUHHUSA-N 2 0 291.420 2.881 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000562746349 290073310 /nfs/dbraw/zinc/07/33/10/290073310.db2.gz YOTIKLMRYWKCSQ-ZOBUZTSGSA-N 2 0 273.424 2.915 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)(C)CC ZINC000562779191 290075562 /nfs/dbraw/zinc/07/55/62/290075562.db2.gz SHTSRUOUXDNIFW-KBPBESRZSA-N 2 0 258.450 2.758 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000562956148 290085153 /nfs/dbraw/zinc/08/51/53/290085153.db2.gz IZHXWQDUQXZKDV-WMLDXEAASA-N 2 0 294.414 2.883 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000562958830 290085726 /nfs/dbraw/zinc/08/57/26/290085726.db2.gz ZJUZNUHFCVBOAA-TZMCWYRMSA-N 2 0 284.350 2.548 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000562956199 290085923 /nfs/dbraw/zinc/08/59/23/290085923.db2.gz JKRYSEIXUMRQLS-HRCADAONSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]C1(C[NH2+]C(C2CC2)C2CC2)C2CC3CC(C2)CC1C3 ZINC000562961939 290086519 /nfs/dbraw/zinc/08/65/19/290086519.db2.gz HWQCARXVZWFYMX-UHFFFAOYSA-N 2 0 274.452 2.918 20 0 CFADRP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000563136228 290107678 /nfs/dbraw/zinc/10/76/78/290107678.db2.gz NVWZPLUIPWCYSI-AWEZNQCLSA-N 2 0 286.423 2.617 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCC2 ZINC000563154128 290109661 /nfs/dbraw/zinc/10/96/61/290109661.db2.gz JYOYYWVZSBAKGD-CVEARBPZSA-N 2 0 274.408 2.583 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccncc2)C1 ZINC000563363423 290138730 /nfs/dbraw/zinc/13/87/30/290138730.db2.gz KOTDPRGRXKVBLO-IRXDYDNUSA-N 2 0 273.424 2.745 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000563417219 290146605 /nfs/dbraw/zinc/14/66/05/290146605.db2.gz KFESMAMKBWBZPL-AWEZNQCLSA-N 2 0 286.423 2.717 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C1 ZINC000563423367 290148698 /nfs/dbraw/zinc/14/86/98/290148698.db2.gz GRQUXYJLRRMKTC-MISXGVKJSA-N 2 0 264.344 2.509 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000563427531 290149723 /nfs/dbraw/zinc/14/97/23/290149723.db2.gz LKJPUYJSOCOHRB-QWHCGFSZSA-N 2 0 252.427 2.658 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000564224965 290198913 /nfs/dbraw/zinc/19/89/13/290198913.db2.gz ASWMIIKOWGGGRC-SJORKVTESA-N 2 0 276.424 2.973 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000367602624 290214924 /nfs/dbraw/zinc/21/49/24/290214924.db2.gz VCMMCENFHZXQHY-IXDOHACOSA-N 2 0 293.499 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)[C@H]2CCC[C@H]21 ZINC000353520961 290216530 /nfs/dbraw/zinc/21/65/30/290216530.db2.gz QGLBGQRUCUHGGD-OWCLPIDISA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccccc43)[C@@H]2C1 ZINC000272209598 290234534 /nfs/dbraw/zinc/23/45/34/290234534.db2.gz PZEJLOHLFNVQGN-SUMWQHHRSA-N 2 0 267.376 2.765 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000564824687 290237069 /nfs/dbraw/zinc/23/70/69/290237069.db2.gz NUVFBPZGUBSXMB-UONOGXRCSA-N 2 0 264.413 2.827 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)cc1F ZINC000564823924 290237399 /nfs/dbraw/zinc/23/73/99/290237399.db2.gz PHPHVCFUIVEAPK-DTWKUNHWSA-N 2 0 289.192 2.804 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000564988690 290255263 /nfs/dbraw/zinc/25/52/63/290255263.db2.gz OEXRNUGJURBDCV-IAGOWNOFSA-N 2 0 298.434 2.695 20 0 CFADRP C(C[NH+]1CCC(C2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000564988590 290255299 /nfs/dbraw/zinc/25/52/99/290255299.db2.gz CXUULVQZHUSLAB-OAHLLOKOSA-N 2 0 280.456 2.515 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565226909 290285707 /nfs/dbraw/zinc/28/57/07/290285707.db2.gz RSSXSJLIGCQQCN-NOLJZWGESA-N 2 0 259.397 2.506 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000565492144 290305630 /nfs/dbraw/zinc/30/56/30/290305630.db2.gz UBALHBAAKBYBLD-GJZGRUSLSA-N 2 0 292.471 2.576 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000565610359 290313910 /nfs/dbraw/zinc/31/39/10/290313910.db2.gz YQWPARYIORCFSU-XNIRIUNOSA-N 2 0 274.408 2.594 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000565690935 290318250 /nfs/dbraw/zinc/31/82/50/290318250.db2.gz SSARHNSPLXTVDY-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000565769321 290323353 /nfs/dbraw/zinc/32/33/53/290323353.db2.gz ROMHFPHJICWZSE-LBPRGKRZSA-N 2 0 270.367 2.875 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](COC)Cc2ccccc2)CC1 ZINC000566044427 290342608 /nfs/dbraw/zinc/34/26/08/290342608.db2.gz JOMRIXRNEQBSRA-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000566088546 290346432 /nfs/dbraw/zinc/34/64/32/290346432.db2.gz ZLSCRTULXNJVAR-ROUUACIJSA-N 2 0 289.467 2.800 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000566411868 290380081 /nfs/dbraw/zinc/38/00/81/290380081.db2.gz MHAIMVJLFNCGLC-JMSVASOKSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000566483965 290393777 /nfs/dbraw/zinc/39/37/77/290393777.db2.gz YPKXXJLOBBEXKC-HUUCEWRRSA-N 2 0 261.413 2.738 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC000566484033 290393902 /nfs/dbraw/zinc/39/39/02/290393902.db2.gz ZHADBYPHALZKJV-ARFHVFGLSA-N 2 0 258.409 2.966 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566482860 290393975 /nfs/dbraw/zinc/39/39/75/290393975.db2.gz QWGNHTKBMMXMQI-SJORKVTESA-N 2 0 276.424 2.971 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000567375232 290459485 /nfs/dbraw/zinc/45/94/85/290459485.db2.gz CONAIVWUBFZCAU-AWEZNQCLSA-N 2 0 280.412 2.744 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000567639000 290480037 /nfs/dbraw/zinc/48/00/37/290480037.db2.gz GWVRIDZXSOYBMJ-UONOGXRCSA-N 2 0 276.424 2.776 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000567639113 290480045 /nfs/dbraw/zinc/48/00/45/290480045.db2.gz WKOXYOIPAUARRI-HNNXBMFYSA-N 2 0 286.423 2.911 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1(C)C ZINC000567639102 290480392 /nfs/dbraw/zinc/48/03/92/290480392.db2.gz VYGVDJANYVVXQZ-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000567674203 290483336 /nfs/dbraw/zinc/48/33/36/290483336.db2.gz COQCYOBQRZHRQV-QMCVQRASSA-N 2 0 273.424 2.967 20 0 CFADRP CCCc1csc(C[NH2+]CC2CC[NH+](CC)CC2)n1 ZINC000567820239 290497242 /nfs/dbraw/zinc/49/72/42/290497242.db2.gz BCRGXVPLUHDQLD-UHFFFAOYSA-N 2 0 281.469 2.917 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1SC ZINC000568882850 290575862 /nfs/dbraw/zinc/57/58/62/290575862.db2.gz HGEJLNIMMJFYFX-WDEREUQCSA-N 2 0 268.426 2.633 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358012279 293090787 /nfs/dbraw/zinc/09/07/87/293090787.db2.gz IBEJIENAVNYTFZ-HNNXBMFYSA-N 2 0 270.461 2.900 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422851460 293096091 /nfs/dbraw/zinc/09/60/91/293096091.db2.gz OXTBOIXUQLAQLG-UPJWGTAASA-N 2 0 296.377 2.699 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272587164 293114782 /nfs/dbraw/zinc/11/47/82/293114782.db2.gz RHRUAJCOXHFMCB-KRWDZBQOSA-N 2 0 290.451 2.566 20 0 CFADRP Clc1ccccc1[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415061691 294116382 /nfs/dbraw/zinc/11/63/82/294116382.db2.gz KZVCDRABFKMNOQ-KLUNEYRZSA-N 2 0 276.811 2.784 20 0 CFADRP Cn1cccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271353514 294388452 /nfs/dbraw/zinc/38/84/52/294388452.db2.gz YXDOIKHMPANZGT-ZBFHGGJFSA-N 2 0 261.413 2.646 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000414914317 533693853 /nfs/dbraw/zinc/69/38/53/533693853.db2.gz KLRNAYHIUIFQAX-GFCCVEGCSA-N 2 0 268.788 2.580 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CCC([NH+](C)C)CC3)C[C@H]2C1 ZINC000424338662 294678255 /nfs/dbraw/zinc/67/82/55/294678255.db2.gz UUTOTKCBVUQUOQ-OSRAQGSTSA-N 2 0 280.456 2.652 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423172797 295108681 /nfs/dbraw/zinc/10/86/81/295108681.db2.gz VIJNRKROQIOSPX-FRRDWIJNSA-N 2 0 250.386 2.780 20 0 CFADRP COc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C(C)C)cc1 ZINC000422789962 295215319 /nfs/dbraw/zinc/21/53/19/295215319.db2.gz STQDVAJTIPFKGP-INIZCTEOSA-N 2 0 262.397 2.734 20 0 CFADRP COc1ccc([C@@H]([NH2+]CCCC[NH3+])C(C)C)cc1 ZINC000423323440 295215748 /nfs/dbraw/zinc/21/57/48/295215748.db2.gz JLKGKTJWVUBBAX-HNNXBMFYSA-N 2 0 250.386 2.721 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346847567 295223659 /nfs/dbraw/zinc/22/36/59/295223659.db2.gz PKUSAVDGAUXDFV-YOEHRIQHSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCNc2cccc(F)c2)CC1 ZINC000423029218 295224064 /nfs/dbraw/zinc/22/40/64/295224064.db2.gz HTEPGCNOXDIDPO-UHFFFAOYSA-N 2 0 279.403 2.735 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1OC ZINC000423361933 295237545 /nfs/dbraw/zinc/23/75/45/295237545.db2.gz HDLURPLHFGWIOX-BFHYXJOUSA-N 2 0 292.423 2.933 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)c1OC ZINC000423361934 295238933 /nfs/dbraw/zinc/23/89/33/295238933.db2.gz HDLURPLHFGWIOX-IHRRRGAJSA-N 2 0 292.423 2.933 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897097 295248415 /nfs/dbraw/zinc/24/84/15/295248415.db2.gz IZJGXJPWXQBXEK-BBRMVZONSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093178 295250961 /nfs/dbraw/zinc/25/09/61/295250961.db2.gz GGFASSZSIJMDKG-CGTJXYLNSA-N 2 0 293.499 2.891 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422961896 295257209 /nfs/dbraw/zinc/25/72/09/295257209.db2.gz DDOCPRFYHWZDQP-XHSDSOJGSA-N 2 0 291.439 2.524 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H](C)C3C[NH2+]C3)CCCC2)c1 ZINC000422887688 295291431 /nfs/dbraw/zinc/29/14/31/295291431.db2.gz LISVUPJSEGOFCN-CQSZACIVSA-N 2 0 288.435 2.705 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000250677028 295313869 /nfs/dbraw/zinc/31/38/69/295313869.db2.gz WUYZILFXEAEDLC-USZNOCQGSA-N 2 0 264.335 2.967 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261734913 295316273 /nfs/dbraw/zinc/31/62/73/295316273.db2.gz HTSBFYRGSSGVMO-IRXDYDNUSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000423469644 295335754 /nfs/dbraw/zinc/33/57/54/295335754.db2.gz VMFKQCYURLIBFO-LUCZXWKPSA-N 2 0 262.441 2.918 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346846548 295388535 /nfs/dbraw/zinc/38/85/35/295388535.db2.gz LLWVKEIIAXDMBE-HOCLYGCPSA-N 2 0 274.408 2.832 20 0 CFADRP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCC[NH3+] ZINC000420377953 295391111 /nfs/dbraw/zinc/39/11/11/295391111.db2.gz SZSUNGLYPNQRBU-ZFWWWQNUSA-N 2 0 262.397 2.817 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540805 295430698 /nfs/dbraw/zinc/43/06/98/295430698.db2.gz QSCIWSAJSBNTMF-NSHDSACASA-N 2 0 266.410 2.717 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000261562635 297108313 /nfs/dbraw/zinc/10/83/13/297108313.db2.gz WLFFVVLVTVYING-WXHSDQCUSA-N 2 0 250.411 2.713 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CSCCc2ccccc21 ZINC000423382093 297110175 /nfs/dbraw/zinc/11/01/75/297110175.db2.gz DFRQVSNNXPOKNA-WQVCFCJDSA-N 2 0 276.449 2.605 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000449084632 297187848 /nfs/dbraw/zinc/18/78/48/297187848.db2.gz YLXFHRXPWLEDTM-KFWWJZLASA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000453206774 298429372 /nfs/dbraw/zinc/42/93/72/298429372.db2.gz YQLZXNDNFLKRTP-TVFCKZIOSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000423037235 298440608 /nfs/dbraw/zinc/44/06/08/298440608.db2.gz VXNGZYPTXKCEPK-TVFCKZIOSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000430961443 298950402 /nfs/dbraw/zinc/95/04/02/298950402.db2.gz DGQYCGANZZGYTP-OFQRWUPVSA-N 2 0 268.445 2.641 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000422802160 301770518 /nfs/dbraw/zinc/77/05/18/301770518.db2.gz BANJBQRJQQKGCL-RANZSIQMSA-N 2 0 288.435 2.803 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422908151 302094386 /nfs/dbraw/zinc/09/43/86/302094386.db2.gz YGGYJBFOKURGEF-ZBFHGGJFSA-N 2 0 258.409 2.744 20 0 CFADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCN1CC[NH2+]CC1 ZINC000420390607 302125460 /nfs/dbraw/zinc/12/54/60/302125460.db2.gz ABCOIKQZBUMHJP-GOSISDBHSA-N 2 0 289.467 2.577 20 0 CFADRP Cc1c[nH+]ccc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488764448 302387106 /nfs/dbraw/zinc/38/71/06/302387106.db2.gz LRYKAXKVEANEGU-XJKCOSOUSA-N 2 0 259.397 2.557 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423517263 303359801 /nfs/dbraw/zinc/35/98/01/303359801.db2.gz BLWXUEUCGNAJFG-BKTIVPFBSA-N 2 0 274.452 2.918 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000414756556 303378185 /nfs/dbraw/zinc/37/81/85/303378185.db2.gz QWXNHORCRZSRLQ-QGZVFWFLSA-N 2 0 258.409 2.705 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000423492231 303411334 /nfs/dbraw/zinc/41/13/34/303411334.db2.gz MGLCFLYWQNZESY-OSAQELSMSA-N 2 0 278.371 2.756 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000423404754 303460096 /nfs/dbraw/zinc/46/00/96/303460096.db2.gz XRNCCAQFVZNEMP-FMKPAKJESA-N 2 0 276.449 2.877 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000423373491 303465814 /nfs/dbraw/zinc/46/58/14/303465814.db2.gz HPIJUPKCNCCAHF-IPYPFGDCSA-N 2 0 260.381 2.760 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000415084584 533695815 /nfs/dbraw/zinc/69/58/15/533695815.db2.gz OVYOGJIWMOPTDW-YPMHNXCESA-N 2 0 282.815 2.969 20 0 CFADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423122390 304858489 /nfs/dbraw/zinc/85/84/89/304858489.db2.gz KNZKHGUHUBXJCV-QMCVQRASSA-N 2 0 286.419 2.673 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cscn1 ZINC000162408653 322364443 /nfs/dbraw/zinc/36/44/43/322364443.db2.gz WJSRWSUANMAYDU-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNc2nccc3ccccc32)C1 ZINC000168672920 322389634 /nfs/dbraw/zinc/38/96/34/322389634.db2.gz VEDVGCNKORXIEI-ZDUSSCGKSA-N 2 0 255.365 2.989 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571344626 322580261 /nfs/dbraw/zinc/58/02/61/322580261.db2.gz VLVDLMIWANPXCH-HUUCEWRRSA-N 2 0 286.423 2.594 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000573091136 322643393 /nfs/dbraw/zinc/64/33/93/322643393.db2.gz VZHPJIRMHKAZIQ-JTQLQIEISA-N 2 0 265.426 2.580 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000574191175 322684452 /nfs/dbraw/zinc/68/44/52/322684452.db2.gz RQGBEYUNQFUXCJ-QWHCGFSZSA-N 2 0 250.386 2.782 20 0 CFADRP COc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)C(C)C)cc1 ZINC000574440810 322692691 /nfs/dbraw/zinc/69/26/91/322692691.db2.gz BOGBFDBGHBKYLC-QGZVFWFLSA-N 2 0 276.424 2.982 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000574501389 322694925 /nfs/dbraw/zinc/69/49/25/322694925.db2.gz CQYQYKDFXYXHNI-MFKMUULPSA-N 2 0 254.324 2.572 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000575859713 322731878 /nfs/dbraw/zinc/73/18/78/322731878.db2.gz AAZZDOYGEJDODU-CQSZACIVSA-N 2 0 252.789 2.917 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH+](CC)CC2)C1(C)C ZINC000181823315 323828611 /nfs/dbraw/zinc/82/86/11/323828611.db2.gz XNNOJKDIRRZREW-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H](C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000188081862 324007808 /nfs/dbraw/zinc/00/78/08/324007808.db2.gz XZZLUYZCQMSGAO-CVEARBPZSA-N 2 0 278.440 2.769 20 0 CFADRP COC[C@@H](C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000188081929 324008243 /nfs/dbraw/zinc/00/82/43/324008243.db2.gz XZZLUYZCQMSGAO-JKSUJKDBSA-N 2 0 278.440 2.769 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H]1c1ccccc1 ZINC000191951147 324055792 /nfs/dbraw/zinc/05/57/92/324055792.db2.gz FNWRPESUCQOSGH-DLBZAZTESA-N 2 0 276.424 2.838 20 0 CFADRP Cc1c[nH+]ccc1NC1CC[NH+](CCOC(C)C)CC1 ZINC000191981595 324056101 /nfs/dbraw/zinc/05/61/01/324056101.db2.gz NHFVMZPTRGCFBK-UHFFFAOYSA-N 2 0 277.412 2.691 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000194831688 324095841 /nfs/dbraw/zinc/09/58/41/324095841.db2.gz VLFWJSSWIVYTPT-OAHLLOKOSA-N 2 0 262.397 2.614 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000345161414 324134350 /nfs/dbraw/zinc/13/43/50/324134350.db2.gz QZRLXOXPFHPUME-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CC(F)(F)C1 ZINC000383485476 324439835 /nfs/dbraw/zinc/43/98/35/324439835.db2.gz FGSPITLEPGUKFK-DGCLKSJQSA-N 2 0 260.372 2.932 20 0 CFADRP CSCC1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000385500063 324461731 /nfs/dbraw/zinc/46/17/31/324461731.db2.gz FGKFHBGUXMAWQV-HSBZDZAISA-N 2 0 258.475 2.838 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000387441342 324492027 /nfs/dbraw/zinc/49/20/27/324492027.db2.gz SEJWBXWWJPGEGK-GFCCVEGCSA-N 2 0 260.372 2.884 20 0 CFADRP CCOCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000388417669 324507098 /nfs/dbraw/zinc/50/70/98/324507098.db2.gz FYDWHSYCDLYNKF-OWCLPIDISA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)cc2cccnc21 ZINC000576844787 324666575 /nfs/dbraw/zinc/66/65/75/324666575.db2.gz HGOCUWRTBFIDFE-ZPVISIIKSA-N 2 0 299.393 2.979 20 0 CFADRP CC(C)c1ncc(C[NH+]2CCC(CC[NH3+])CC2)s1 ZINC000576997809 324683611 /nfs/dbraw/zinc/68/36/11/324683611.db2.gz YUDDCUJIOFXIFT-UHFFFAOYSA-N 2 0 267.442 2.827 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000578083084 324814971 /nfs/dbraw/zinc/81/49/71/324814971.db2.gz KLOFMARLQMAGDF-KBPBESRZSA-N 2 0 261.413 2.739 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000578143211 324821431 /nfs/dbraw/zinc/82/14/31/324821431.db2.gz GALBGXIHVCNIEX-ZWUHOBOKSA-N 2 0 280.387 2.761 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000578651810 324875123 /nfs/dbraw/zinc/87/51/23/324875123.db2.gz KQVZEYSQMAOTRI-MNOVXSKESA-N 2 0 292.814 2.946 20 0 CFADRP CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000578738615 324883852 /nfs/dbraw/zinc/88/38/52/324883852.db2.gz DUPPBVLKLBOQCA-QLFBSQMISA-N 2 0 250.430 2.933 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000579259339 324936683 /nfs/dbraw/zinc/93/66/83/324936683.db2.gz RPAQYUCXNHNKQA-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580075350 325004718 /nfs/dbraw/zinc/00/47/18/325004718.db2.gz GKBKIGGHGQNVQJ-JKSUJKDBSA-N 2 0 276.424 2.829 20 0 CFADRP CC(C)(C)[NH2+]CCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000580194474 325014773 /nfs/dbraw/zinc/01/47/73/325014773.db2.gz POPOSLCJYXCQMC-QGZVFWFLSA-N 2 0 289.467 2.629 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000580445717 325037207 /nfs/dbraw/zinc/03/72/07/325037207.db2.gz AHXYLAMINRQXTO-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000580883731 325071757 /nfs/dbraw/zinc/07/17/57/325071757.db2.gz AABSYPAOKDTYPB-HNNXBMFYSA-N 2 0 288.435 2.833 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000580963373 325078811 /nfs/dbraw/zinc/07/88/11/325078811.db2.gz NSROAYXOVIMSBX-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP C[NH+](C)CCC[NH2+]CCCc1c(F)cccc1Cl ZINC000581231267 325102093 /nfs/dbraw/zinc/10/20/93/325102093.db2.gz XQCKTTYZSPEZFG-UHFFFAOYSA-N 2 0 272.795 2.953 20 0 CFADRP Cc1nc(C2([NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)CCCCC2)no1 ZINC000581238610 325102749 /nfs/dbraw/zinc/10/27/49/325102749.db2.gz YHUCVNHTVLDRMF-GXTWGEPZSA-N 2 0 292.427 2.515 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000581476161 325124981 /nfs/dbraw/zinc/12/49/81/325124981.db2.gz CVVIFAJFHKZETR-YPMHNXCESA-N 2 0 290.436 2.745 20 0 CFADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CCCN3CCC3)C2)c1 ZINC000581558671 325132523 /nfs/dbraw/zinc/13/25/23/325132523.db2.gz XIBDTRHGOLAKOG-DOTOQJQBSA-N 2 0 273.424 2.793 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)CC(C)C ZINC000581559432 325132867 /nfs/dbraw/zinc/13/28/67/325132867.db2.gz ZLPYLVZYRQJUMK-PMPSAXMXSA-N 2 0 269.477 2.602 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000581661127 325140340 /nfs/dbraw/zinc/14/03/40/325140340.db2.gz NWJBUTUAYFUJSQ-SNVBAGLBSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000581720338 325145582 /nfs/dbraw/zinc/14/55/82/325145582.db2.gz KZXVWSFAMVUWPK-AWEZNQCLSA-N 2 0 284.407 2.523 20 0 CFADRP CN(C)c1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000582311040 325195329 /nfs/dbraw/zinc/19/53/29/325195329.db2.gz ATRBIXGGBBXJPZ-GJZGRUSLSA-N 2 0 298.434 2.660 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1 ZINC000582546465 325213633 /nfs/dbraw/zinc/21/36/33/325213633.db2.gz SVALLDUFDPBILH-YUELXQCFSA-N 2 0 278.827 2.985 20 0 CFADRP CCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000582952057 325247666 /nfs/dbraw/zinc/24/76/66/325247666.db2.gz IKDUWWHPLWCOFL-NEPJUHHUSA-N 2 0 252.427 2.788 20 0 CFADRP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000583020110 325253174 /nfs/dbraw/zinc/25/31/74/325253174.db2.gz NDWBSFMUNPWYOI-JKSUJKDBSA-N 2 0 290.451 2.922 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000583137909 325262680 /nfs/dbraw/zinc/26/26/80/325262680.db2.gz RBDXHTZNKKKNBJ-JSGCOSHPSA-N 2 0 264.438 2.844 20 0 CFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(CC[NH3+])CC1 ZINC000583325577 325278028 /nfs/dbraw/zinc/27/80/28/325278028.db2.gz RDPKTZYBVCHSAD-OAHLLOKOSA-N 2 0 260.425 2.926 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000583450824 325288699 /nfs/dbraw/zinc/28/86/99/325288699.db2.gz BKYSVSPVQABIKZ-QLFBSQMISA-N 2 0 282.815 2.887 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000583806383 325311527 /nfs/dbraw/zinc/31/15/27/325311527.db2.gz BARYSZSTSXPZJW-HUUCEWRRSA-N 2 0 299.418 2.876 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000583882582 325316861 /nfs/dbraw/zinc/31/68/61/325316861.db2.gz MRIPIZAVCWJDDU-ZIAGYGMSSA-N 2 0 290.407 2.552 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000583928532 325318879 /nfs/dbraw/zinc/31/88/79/325318879.db2.gz CDRLOYCMEPQBNE-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]CC1 ZINC000584100874 325330645 /nfs/dbraw/zinc/33/06/45/325330645.db2.gz PJEFLHMNMLZWSH-UHFFFAOYSA-N 2 0 298.377 2.730 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cccc3[nH]ccc32)C1 ZINC000584124034 325332685 /nfs/dbraw/zinc/33/26/85/325332685.db2.gz RDRBRHXAZMGAGQ-KBPBESRZSA-N 2 0 257.381 2.570 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)C1(C)C ZINC000584225988 325338836 /nfs/dbraw/zinc/33/88/36/325338836.db2.gz VTUUVBUTNVQKHY-GJZGRUSLSA-N 2 0 270.461 2.804 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)OC ZINC000584361300 329102551 /nfs/dbraw/zinc/10/25/51/329102551.db2.gz KMMOZUKNYWSWPS-KKUMJFAQSA-N 2 0 256.434 2.687 20 0 CFADRP Nc1ccc(F)c(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c1 ZINC001243285656 782110285 /nfs/dbraw/zinc/11/02/85/782110285.db2.gz JQJWVLRVCHNVTD-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000414807899 533717853 /nfs/dbraw/zinc/71/78/53/533717853.db2.gz RRRCLXVOSMDHRY-DZGCQCFKSA-N 2 0 250.361 2.741 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1ncnc2c1CC[NH2+]C2 ZINC001243333581 782141069 /nfs/dbraw/zinc/14/10/69/782141069.db2.gz IJDBMJOMDXJGQT-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CCCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000216077490 520453874 /nfs/dbraw/zinc/45/38/74/520453874.db2.gz IEFUMDBAUBPOBF-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000227518538 520751183 /nfs/dbraw/zinc/75/11/83/520751183.db2.gz WAAVAZWHOWOBAX-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000236661204 521423263 /nfs/dbraw/zinc/42/32/63/521423263.db2.gz SXFRAVKFYSZOHU-UHFFFAOYSA-N 2 0 297.487 2.524 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423195014 533753797 /nfs/dbraw/zinc/75/37/97/533753797.db2.gz XDRNOQJZTIOGDY-QRTARXTBSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Br)ccc1Cl ZINC000414873492 533769590 /nfs/dbraw/zinc/76/95/90/533769590.db2.gz HGQDZAUEJXHRMF-QMMMGPOBSA-N 2 0 291.620 2.787 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1C ZINC000422791214 533769800 /nfs/dbraw/zinc/76/98/00/533769800.db2.gz VSVZROWZRBTWBG-CVEARBPZSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000414885375 533771071 /nfs/dbraw/zinc/77/10/71/533771071.db2.gz WVBCUNJTANFNFL-QMMMGPOBSA-N 2 0 291.620 2.787 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000414874714 533772582 /nfs/dbraw/zinc/77/25/82/533772582.db2.gz IVTUMSUIBNOOKZ-QMMMGPOBSA-N 2 0 291.620 2.787 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423298841 533771750 /nfs/dbraw/zinc/77/17/50/533771750.db2.gz OXTZLFLZYJHCLH-UWVGGRQHSA-N 2 0 276.302 2.831 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)CCC[NH3+])cc1F ZINC000415026624 533789423 /nfs/dbraw/zinc/78/94/23/533789423.db2.gz UZXPPBXQMUVUPM-STQMWFEESA-N 2 0 282.403 2.730 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C/c1ccc(F)cc1 ZINC000415008233 533843610 /nfs/dbraw/zinc/84/36/10/533843610.db2.gz DADJQROXJDCIBS-DIECRNLCSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCOC1CCCCCC1 ZINC000422768481 533844748 /nfs/dbraw/zinc/84/47/48/533844748.db2.gz UPYVEPZHNKMXHN-CQSZACIVSA-N 2 0 256.434 2.833 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423169322 533850964 /nfs/dbraw/zinc/85/09/64/533850964.db2.gz JCHIZBDIHCJTQH-OSAQELSMSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423017147 533852909 /nfs/dbraw/zinc/85/29/09/533852909.db2.gz VNRGQCSULPGKJS-CABCVRRESA-N 2 0 293.430 2.902 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422822307 533849272 /nfs/dbraw/zinc/84/92/72/533849272.db2.gz AODWSZWYRUKXMI-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000422890996 533868577 /nfs/dbraw/zinc/86/85/77/533868577.db2.gz UGWQZOBQXGYDEF-DOMZBBRYSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423245736 533866292 /nfs/dbraw/zinc/86/62/92/533866292.db2.gz JHVRWJOTBPOWQS-WDEREUQCSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccccc1Br ZINC000422824954 533867422 /nfs/dbraw/zinc/86/74/22/533867422.db2.gz IPIMQLICAJZWTD-LLVKDONJSA-N 2 0 285.229 2.709 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423258897 533873791 /nfs/dbraw/zinc/87/37/91/533873791.db2.gz MZXVNZZGSCFTEX-CZUORRHYSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116959 533868930 /nfs/dbraw/zinc/86/89/30/533868930.db2.gz SFWULMSZICRGME-GFCCVEGCSA-N 2 0 277.387 2.957 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)c1ccc(F)cc1F ZINC000422799087 533869609 /nfs/dbraw/zinc/86/96/09/533869609.db2.gz VBFNVCABDFTAKU-WDEREUQCSA-N 2 0 256.340 2.785 20 0 CFADRP C[C@H](CCC[NH3+])Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957457 533875189 /nfs/dbraw/zinc/87/51/89/533875189.db2.gz UGHCTTCLECJCEY-CQSZACIVSA-N 2 0 293.480 2.775 20 0 CFADRP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)C1C[NH2+]C1 ZINC000423119769 533879411 /nfs/dbraw/zinc/87/94/11/533879411.db2.gz DQELTNFCCVKLCT-SMDDNHRTSA-N 2 0 286.341 2.605 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414873978 533901701 /nfs/dbraw/zinc/90/17/01/533901701.db2.gz AHMNWHOJGUIYDP-SNVBAGLBSA-N 2 0 253.415 2.628 20 0 CFADRP C[C@H](CC[NH3+])[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414888629 533901942 /nfs/dbraw/zinc/90/19/42/533901942.db2.gz FJIYEJOMTKTDNK-GHMZBOCLSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414876477 533902298 /nfs/dbraw/zinc/90/22/98/533902298.db2.gz DNOFZESSXSSJCX-CYBMUJFWSA-N 2 0 262.397 2.835 20 0 CFADRP C[C@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422729579 533903438 /nfs/dbraw/zinc/90/34/38/533903438.db2.gz KXYOYGXSQFENPI-RRQGHBQHSA-N 2 0 293.430 2.549 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414778520 533927597 /nfs/dbraw/zinc/92/75/97/533927597.db2.gz IYLNKLJLEOIXLK-JKSUJKDBSA-N 2 0 276.399 2.956 20 0 CFADRP COC1(CC[NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000338918943 522588754 /nfs/dbraw/zinc/58/87/54/522588754.db2.gz GCCLUJLVVURBPM-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cnn1C(C)(C)C ZINC000423247250 533942336 /nfs/dbraw/zinc/94/23/36/533942336.db2.gz KWQSBWGTNWHHIX-OCCSQVGLSA-N 2 0 278.444 2.597 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422854656 533942707 /nfs/dbraw/zinc/94/27/07/533942707.db2.gz ULVSORMKDLAKIV-YALNPMBYSA-N 2 0 276.424 2.522 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415091022 533968926 /nfs/dbraw/zinc/96/89/26/533968926.db2.gz YNWWOTLCXVCKKT-RWMBFGLXSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414900356 533990749 /nfs/dbraw/zinc/99/07/49/533990749.db2.gz DGUMLYVZGNFGJG-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000425341242 533999167 /nfs/dbraw/zinc/99/91/67/533999167.db2.gz CQRRXMFGVKUKJL-ZIAGYGMSSA-N 2 0 256.459 2.736 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422853921 534000028 /nfs/dbraw/zinc/00/00/28/534000028.db2.gz ZMASYMXZHPXKMF-AWEZNQCLSA-N 2 0 276.424 2.834 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423157084 534015419 /nfs/dbraw/zinc/01/54/19/534015419.db2.gz AEFOVOVSWPQFAP-AEZOWIDVSA-N 2 0 292.398 2.638 20 0 CFADRP COc1ccccc1CCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420355389 534028655 /nfs/dbraw/zinc/02/86/55/534028655.db2.gz DVMXWWSUKKPESG-INIZCTEOSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)C[NH+](C)C ZINC000425942024 534055437 /nfs/dbraw/zinc/05/54/37/534055437.db2.gz DJQUBQGOXIAYCT-OOHWJJMZSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@@H](C[NH2+]CC(C)(C)[NH3+])c1cccc(Br)c1 ZINC000414809194 534057042 /nfs/dbraw/zinc/05/70/42/534057042.db2.gz UVTXEJIUCGLRJU-JTQLQIEISA-N 2 0 285.229 2.880 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423125530 534069867 /nfs/dbraw/zinc/06/98/67/534069867.db2.gz QWTSFJAUJLRNNB-BGTYHANMSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422889558 534074531 /nfs/dbraw/zinc/07/45/31/534074531.db2.gz PWANSFRAIICKII-IIAWOOMASA-N 2 0 274.408 2.530 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2nc3c(s2)CCCC3)CC[NH2+]1 ZINC000414690296 534079349 /nfs/dbraw/zinc/07/93/49/534079349.db2.gz HNZKBYHVJCUQAL-STQMWFEESA-N 2 0 293.480 2.842 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422868417 534087288 /nfs/dbraw/zinc/08/72/88/534087288.db2.gz VBKVREZNVMTHON-ZIAGYGMSSA-N 2 0 276.424 2.999 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843096 534103793 /nfs/dbraw/zinc/10/37/93/534103793.db2.gz PPQMBEQAWSMXIK-HUUCEWRRSA-N 2 0 276.424 2.606 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000425341239 534112345 /nfs/dbraw/zinc/11/23/45/534112345.db2.gz CQRRXMFGVKUKJL-KBPBESRZSA-N 2 0 256.459 2.736 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422818068 534123137 /nfs/dbraw/zinc/12/31/37/534123137.db2.gz FKJVXFOZHMWKNG-FMKPAKJESA-N 2 0 278.440 2.978 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000423231585 534131048 /nfs/dbraw/zinc/13/10/48/534131048.db2.gz GXYAQOVHMYOCHI-IAGOWNOFSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000414907523 534134939 /nfs/dbraw/zinc/13/49/39/534134939.db2.gz ANDVTFQIMJUZBF-UBDQQSCGSA-N 2 0 287.451 2.681 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422880288 534147218 /nfs/dbraw/zinc/14/72/18/534147218.db2.gz WQWCUOZAIYMRAA-GFCCVEGCSA-N 2 0 252.427 2.934 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781485 534157157 /nfs/dbraw/zinc/15/71/57/534157157.db2.gz MZDKVRKADQXAAY-LSDHHAIUSA-N 2 0 276.399 2.956 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423094733 534200863 /nfs/dbraw/zinc/20/08/63/534200863.db2.gz KQCLNOXWPXYDQL-ZFWWWQNUSA-N 2 0 264.438 2.668 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423096269 534200871 /nfs/dbraw/zinc/20/08/71/534200871.db2.gz OLIZLFADUVASOS-NEPJUHHUSA-N 2 0 252.427 2.666 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]CCCC[NH3+])s2)o1 ZINC000414910219 534217846 /nfs/dbraw/zinc/21/78/46/534217846.db2.gz RYELTFHUBKRODS-UHFFFAOYSA-N 2 0 265.382 2.540 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414893088 534239883 /nfs/dbraw/zinc/23/98/83/534239883.db2.gz RBXPMOHBQUMZGC-IINYFYTJSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH2+]CC1 ZINC000423185256 534266499 /nfs/dbraw/zinc/26/64/99/534266499.db2.gz NFGQZDRLVARQKR-LBPRGKRZSA-N 2 0 258.365 2.705 20 0 CFADRP C(C[NH+]1CCN(CC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000361507536 518388819 /nfs/dbraw/zinc/38/88/19/518388819.db2.gz FHHNATNMNOEPMN-UHFFFAOYSA-N 2 0 293.499 2.670 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000423134978 534350545 /nfs/dbraw/zinc/35/05/45/534350545.db2.gz XJSOSCJSSAUGFV-LLVKDONJSA-N 2 0 265.376 2.782 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOCCC(C)C ZINC000422775493 534350777 /nfs/dbraw/zinc/35/07/77/534350777.db2.gz AMMRKUMYEZYBER-CYBMUJFWSA-N 2 0 279.428 2.562 20 0 CFADRP CC(C)(C)[C@H](CCO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000231075987 518958310 /nfs/dbraw/zinc/95/83/10/518958310.db2.gz LDOKANLVLLIKPZ-ILXRZTDVSA-N 2 0 262.397 2.518 20 0 CFADRP Fc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000414830452 534441697 /nfs/dbraw/zinc/44/16/97/534441697.db2.gz MBMCNQDXNYQHIU-JTQLQIEISA-N 2 0 288.313 2.516 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340262904 519653696 /nfs/dbraw/zinc/65/36/96/519653696.db2.gz ZQWJXSOOLAKYED-INIZCTEOSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340701538 519664738 /nfs/dbraw/zinc/66/47/38/519664738.db2.gz VYNLYKAJTQVTLM-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CCOC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000337034319 519664786 /nfs/dbraw/zinc/66/47/86/519664786.db2.gz HRKDAAMPYXVDLT-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000361289464 519683660 /nfs/dbraw/zinc/68/36/60/519683660.db2.gz SGHNWZZSXVULNI-JKSUJKDBSA-N 2 0 270.461 2.590 20 0 CFADRP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)c1 ZINC000423104926 534448971 /nfs/dbraw/zinc/44/89/71/534448971.db2.gz HOCJBBLICSCDRN-JKSUJKDBSA-N 2 0 296.361 2.606 20 0 CFADRP CC(C)[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336833440 519800600 /nfs/dbraw/zinc/80/06/00/519800600.db2.gz ZJUDIVWMQYQJFN-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000070347252 519847478 /nfs/dbraw/zinc/84/74/78/519847478.db2.gz YNBCPVFIXIAGBA-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cs1 ZINC000156980291 519861352 /nfs/dbraw/zinc/86/13/52/519861352.db2.gz PYSCCEJOFMVAHU-OCCSQVGLSA-N 2 0 281.469 2.739 20 0 CFADRP CCCC1CCC([NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000232898391 519899450 /nfs/dbraw/zinc/89/94/50/519899450.db2.gz SHGUCZRSJITPKH-YMAMQOFZSA-N 2 0 256.434 2.689 20 0 CFADRP CCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159037806 519912696 /nfs/dbraw/zinc/91/26/96/519912696.db2.gz FIJIFRYQXDFAQO-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000414843501 534461330 /nfs/dbraw/zinc/46/13/30/534461330.db2.gz PZDLDYXPJZMYTF-OHVSUOQFSA-N 2 0 280.362 2.957 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000414842838 534464487 /nfs/dbraw/zinc/46/44/87/534464487.db2.gz ZPOSERUTOCNLJK-JTQLQIEISA-N 2 0 290.304 2.934 20 0 CFADRP CCOC[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309763905 520076906 /nfs/dbraw/zinc/07/69/06/520076906.db2.gz YVWSYBSUKKLDET-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000072858146 520255884 /nfs/dbraw/zinc/25/58/84/520255884.db2.gz XHDMTEHUQHNLIW-QGZVFWFLSA-N 2 0 298.434 2.646 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000161738902 520284381 /nfs/dbraw/zinc/28/43/81/520284381.db2.gz YIIOQMWVGYQLPI-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP c1ccc(C2CCC(C[NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414885486 534483866 /nfs/dbraw/zinc/48/38/66/534483866.db2.gz PDKOJELRMCTKJG-PREGVCBESA-N 2 0 258.409 2.912 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000168663013 520407286 /nfs/dbraw/zinc/40/72/86/520407286.db2.gz ONFMKMHHLRZTSH-HUUCEWRRSA-N 2 0 292.423 2.523 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000052921802 520450752 /nfs/dbraw/zinc/45/07/52/520450752.db2.gz KQVQTWDORLLVCU-OAHLLOKOSA-N 2 0 262.397 2.646 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2cccnc2)cc1 ZINC000423248743 534494378 /nfs/dbraw/zinc/49/43/78/534494378.db2.gz NRZMMLZONVLMHV-KDOFPFPSSA-N 2 0 299.393 2.899 20 0 CFADRP c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)cc1 ZINC000422726981 534498367 /nfs/dbraw/zinc/49/83/67/534498367.db2.gz BBNONUQRAHLZPF-SWDXFRIISA-N 2 0 299.462 2.696 20 0 CFADRP c1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423334088 534500516 /nfs/dbraw/zinc/50/05/16/534500516.db2.gz FNFSLSQWUSARAY-SFHVURJKSA-N 2 0 279.387 2.680 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157378646 520576251 /nfs/dbraw/zinc/57/62/51/520576251.db2.gz NJCKFELVKQGSAL-ROUUACIJSA-N 2 0 287.451 2.985 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000224374437 520578470 /nfs/dbraw/zinc/57/84/70/520578470.db2.gz OHOUFJXEOWXXEM-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP CC[NH+](CC)CC(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000063728191 520585206 /nfs/dbraw/zinc/58/52/06/520585206.db2.gz BSWQHLHIEPMUFB-UHFFFAOYSA-N 2 0 291.439 2.809 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cncn2C)CC1 ZINC000182767004 520589989 /nfs/dbraw/zinc/58/99/89/520589989.db2.gz DWAANRHDEJGPQL-UHFFFAOYSA-N 2 0 292.471 2.754 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250503 534503312 /nfs/dbraw/zinc/50/33/12/534503312.db2.gz QJUIMZUSCSBPBH-OCCSQVGLSA-N 2 0 262.422 2.813 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423257153 534503340 /nfs/dbraw/zinc/50/33/40/534503340.db2.gz HUJLERBMCKYYGJ-LRDDRELGSA-N 2 0 262.372 2.792 20 0 CFADRP c1cnc2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cc2c1 ZINC000414846417 534505275 /nfs/dbraw/zinc/50/52/75/534505275.db2.gz HFCSIUDSPOZSDS-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000070443379 520637238 /nfs/dbraw/zinc/63/72/38/520637238.db2.gz RJFOVAFCEIFLSO-UONOGXRCSA-N 2 0 266.433 2.581 20 0 CFADRP CCOc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1O ZINC000353395634 520709296 /nfs/dbraw/zinc/70/92/96/520709296.db2.gz QJYZJNWYRZJQOG-UHFFFAOYSA-N 2 0 292.423 2.753 20 0 CFADRP c1coc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422963278 534514856 /nfs/dbraw/zinc/51/48/56/534514856.db2.gz ICWWUQKMQCFJTH-WMZOPIPTSA-N 2 0 298.386 2.668 20 0 CFADRP Cc1cnc(C(C)(C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414716035 534537210 /nfs/dbraw/zinc/53/72/10/534537210.db2.gz XSGNPBORKGBBHC-PWSUYJOCSA-N 2 0 267.442 2.664 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360501688 521056111 /nfs/dbraw/zinc/05/61/11/521056111.db2.gz WRZOEJSSXGPGLI-HNNXBMFYSA-N 2 0 268.445 2.798 20 0 CFADRP CCC(=O)CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365175099 521076589 /nfs/dbraw/zinc/07/65/89/521076589.db2.gz DMVQFMVQTHFZGC-CQSZACIVSA-N 2 0 278.440 2.552 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000311015614 521227278 /nfs/dbraw/zinc/22/72/78/521227278.db2.gz KSIGFHDDDQHMKW-CHWSQXEVSA-N 2 0 250.386 2.863 20 0 CFADRP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000340700133 521235881 /nfs/dbraw/zinc/23/58/81/521235881.db2.gz BAHSRXUCOPVCMH-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415001512 534554029 /nfs/dbraw/zinc/55/40/29/534554029.db2.gz UXHMXHMEIMAUQW-RHSMWYFYSA-N 2 0 298.434 2.992 20 0 CFADRP CCOc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000193032398 521330423 /nfs/dbraw/zinc/33/04/23/521330423.db2.gz IEDSHRNRQXFDKI-ALOPSCKCSA-N 2 0 288.435 2.843 20 0 CFADRP CCOc1ccccc1C[NH2+]CCCC[NH+](C)C ZINC000045598372 521502774 /nfs/dbraw/zinc/50/27/74/521502774.db2.gz NIUGMRQGEVKDPB-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000088413731 521564649 /nfs/dbraw/zinc/56/46/49/521564649.db2.gz ZHLPHRQMJMHPDP-OAHLLOKOSA-N 2 0 292.423 2.667 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000361888547 521643270 /nfs/dbraw/zinc/64/32/70/521643270.db2.gz KUROVRHUEBSOHT-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000163870463 521647362 /nfs/dbraw/zinc/64/73/62/521647362.db2.gz CFUJNKXQDHNBNF-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000155712458 521691740 /nfs/dbraw/zinc/69/17/40/521691740.db2.gz GTVNJKMGYAHAGV-GJZGRUSLSA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000245422422 521714021 /nfs/dbraw/zinc/71/40/21/521714021.db2.gz ISXNMLGKLSBLKS-XJKSGUPXSA-N 2 0 264.388 2.988 20 0 CFADRP CC[N@@H+]1CCc2c(cccc2N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000367951634 521724789 /nfs/dbraw/zinc/72/47/89/521724789.db2.gz RRCYLENCWQUHDX-HOCLYGCPSA-N 2 0 287.451 2.959 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000231786933 521794226 /nfs/dbraw/zinc/79/42/26/521794226.db2.gz JQBDQBIYYKDJGT-QGZVFWFLSA-N 2 0 276.424 2.622 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1csc2ccccc12 ZINC000230005133 521795233 /nfs/dbraw/zinc/79/52/33/521795233.db2.gz GFZOOLPGQOVFHY-UHFFFAOYSA-N 2 0 278.421 2.569 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000226745084 521796316 /nfs/dbraw/zinc/79/63/16/521796316.db2.gz FCIQBYUQZUJCBK-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC12CCOCC2)C(C)(C)C ZINC000374304073 521814623 /nfs/dbraw/zinc/81/46/23/521814623.db2.gz WIFASIIKRWXTFG-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000422811757 534593692 /nfs/dbraw/zinc/59/36/92/534593692.db2.gz WQVQNAGAQKOIQR-UHFFFAOYSA-N 2 0 287.451 2.546 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000262049294 521930062 /nfs/dbraw/zinc/93/00/62/521930062.db2.gz CSSHVBBTPMGPQG-UHFFFAOYSA-N 2 0 295.386 2.604 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000157117625 521984589 /nfs/dbraw/zinc/98/45/89/521984589.db2.gz WGXGRXMAJYQVCJ-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414911255 534605625 /nfs/dbraw/zinc/60/56/25/534605625.db2.gz SRBQWQXJDVRSIN-UHFFFAOYSA-N 2 0 255.365 2.577 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423178646 534615849 /nfs/dbraw/zinc/61/58/49/534615849.db2.gz CICYHXSVIPAWAJ-AWEZNQCLSA-N 2 0 252.789 2.600 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423183275 534616245 /nfs/dbraw/zinc/61/62/45/534616245.db2.gz HPNCXMPBZXDXJM-JSGCOSHPSA-N 2 0 252.789 2.915 20 0 CFADRP CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443276 522227256 /nfs/dbraw/zinc/22/72/56/522227256.db2.gz PUOPQGXKGNTQDB-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000234746983 522288479 /nfs/dbraw/zinc/28/84/79/522288479.db2.gz FLDZKPXHRJRFCT-HZPDHXFCSA-N 2 0 282.403 2.866 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422782482 534634498 /nfs/dbraw/zinc/63/44/98/534634498.db2.gz NDAZGRWBNJSORO-HYVNUMGLSA-N 2 0 290.451 2.615 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000340521931 522517213 /nfs/dbraw/zinc/51/72/13/522517213.db2.gz XVERXQMYBOLIPG-CQSZACIVSA-N 2 0 258.450 2.898 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334783742 522553121 /nfs/dbraw/zinc/55/31/21/522553121.db2.gz AZMKYULRBMZAIT-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000157908601 522580052 /nfs/dbraw/zinc/58/00/52/522580052.db2.gz OJWUWZBUTWBGDF-RDJZCZTQSA-N 2 0 292.471 2.973 20 0 CFADRP COC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000361545132 522607310 /nfs/dbraw/zinc/60/73/10/522607310.db2.gz ZMOONDPLHDFZCT-WBVHZDCISA-N 2 0 292.467 2.894 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414736063 534654587 /nfs/dbraw/zinc/65/45/87/534654587.db2.gz MMQJGDGDHPUBCE-LLVKDONJSA-N 2 0 298.333 2.569 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccs1 ZINC000155635417 522848053 /nfs/dbraw/zinc/84/80/53/522848053.db2.gz MLBIKCGHVZAOGG-HUUCEWRRSA-N 2 0 295.496 2.815 20 0 CFADRP COCc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000088555207 523038217 /nfs/dbraw/zinc/03/82/17/523038217.db2.gz PVOYGFNEVUPLEX-SJPCQFCGSA-N 2 0 274.408 2.548 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415004213 534725116 /nfs/dbraw/zinc/72/51/16/534725116.db2.gz XXRAXZWKZKTFGS-AAEUAGOBSA-N 2 0 284.350 2.895 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000319134072 523754061 /nfs/dbraw/zinc/75/40/61/523754061.db2.gz SFMHIKPUSNBSBH-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000365060529 523764556 /nfs/dbraw/zinc/76/45/56/523764556.db2.gz GQODDNLLFHEMNH-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccccc2F)CC1 ZINC000334920013 523787802 /nfs/dbraw/zinc/78/78/02/523787802.db2.gz LAJSOWSXGAAZMQ-UHFFFAOYSA-N 2 0 262.372 2.886 20 0 CFADRP Cn1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)n1 ZINC000414835409 534734731 /nfs/dbraw/zinc/73/47/31/534734731.db2.gz INGOAHREFVSRBZ-HNNXBMFYSA-N 2 0 298.434 2.566 20 0 CFADRP COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000192816055 523974188 /nfs/dbraw/zinc/97/41/88/523974188.db2.gz ACAKUZKBOSGDDU-GOOCMWNKSA-N 2 0 292.398 2.592 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC(C)(C)c3ccccc3)C2)C1 ZINC000366532978 523994590 /nfs/dbraw/zinc/99/45/90/523994590.db2.gz GONGQBPLTDYUBT-SFHVURJKSA-N 2 0 272.436 2.992 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)o1 ZINC000155758243 524025029 /nfs/dbraw/zinc/02/50/29/524025029.db2.gz IZXRBMDQOBTOHX-HUUCEWRRSA-N 2 0 293.455 2.519 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000094422322 524047039 /nfs/dbraw/zinc/04/70/39/524047039.db2.gz HZZHGPZHBJQRPO-LBPRGKRZSA-N 2 0 256.434 2.510 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000045598322 524053027 /nfs/dbraw/zinc/05/30/27/524053027.db2.gz JJOFMODTANLWAN-UHFFFAOYSA-N 2 0 272.396 2.508 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000334980311 524087686 /nfs/dbraw/zinc/08/76/86/524087686.db2.gz MVRBKASDJICMES-RHSMWYFYSA-N 2 0 274.408 2.832 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000340712694 524133516 /nfs/dbraw/zinc/13/35/16/524133516.db2.gz QPEJDCWCNDTTQH-QAPCUYQASA-N 2 0 290.451 2.805 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000311021690 524137083 /nfs/dbraw/zinc/13/70/83/524137083.db2.gz LUWMKZYYSVZUMN-OLZOCXBDSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000311021689 524137120 /nfs/dbraw/zinc/13/71/20/524137120.db2.gz LUWMKZYYSVZUMN-CHWSQXEVSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310032155 524138073 /nfs/dbraw/zinc/13/80/73/524138073.db2.gz YEEPHJHQLHWCHU-AEFFLSMTSA-N 3 0 289.467 2.616 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c21 ZINC000422716708 534775329 /nfs/dbraw/zinc/77/53/29/534775329.db2.gz NQNYYPIMKPXDDR-XYPWUTKMSA-N 2 0 283.419 2.891 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])c21 ZINC000422717461 534776932 /nfs/dbraw/zinc/77/69/32/534776932.db2.gz OPCVPFIVASPNGF-HIFRSBDPSA-N 2 0 271.408 2.736 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000169017299 524364031 /nfs/dbraw/zinc/36/40/31/524364031.db2.gz GHINJGCFXLYTQT-DLBZAZTESA-N 2 0 258.409 2.754 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000336401553 524441183 /nfs/dbraw/zinc/44/11/83/524441183.db2.gz LMKPHQHPLNXZCG-CQSZACIVSA-N 2 0 264.438 2.878 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000168635618 524444704 /nfs/dbraw/zinc/44/47/04/524444704.db2.gz DKXKBIUEYDMORC-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000088194946 524500842 /nfs/dbraw/zinc/50/08/42/524500842.db2.gz HVQAENDSXFUDEW-HUUCEWRRSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1CC[N@H+](CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000163863208 524507114 /nfs/dbraw/zinc/50/71/14/524507114.db2.gz AALGUAWXLXAOLK-KGLIPLIRSA-N 2 0 264.438 2.695 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)O1 ZINC000191029370 524590300 /nfs/dbraw/zinc/59/03/00/524590300.db2.gz ZXICVIHCWZFPDG-ZBFHGGJFSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH+](CCCF)CC2)C[C@H](C)O1 ZINC000151525731 524591222 /nfs/dbraw/zinc/59/12/22/524591222.db2.gz MFUBUGHFZTUONI-GJZGRUSLSA-N 2 0 286.435 2.557 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1F ZINC000334842042 524609642 /nfs/dbraw/zinc/60/96/42/524609642.db2.gz JGWCDRBGSMCREH-AWEZNQCLSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@H](C[C@H](C)O)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000361034025 524637226 /nfs/dbraw/zinc/63/72/26/524637226.db2.gz WFBKUCGTZAMYQJ-CVEARBPZSA-N 2 0 292.467 2.894 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000334857870 524694831 /nfs/dbraw/zinc/69/48/31/524694831.db2.gz PPOFEGWXIZALIW-FZMZJTMJSA-N 2 0 260.406 2.989 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc2cccnc12 ZINC000334856137 524773056 /nfs/dbraw/zinc/77/30/56/524773056.db2.gz GEWWKIZRRVARBO-CZUORRHYSA-N 2 0 269.392 2.631 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1F ZINC000334844819 524783302 /nfs/dbraw/zinc/78/33/02/524783302.db2.gz VQKZCQKDEMNILC-AWEZNQCLSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000168321923 524889345 /nfs/dbraw/zinc/88/93/45/524889345.db2.gz OWYIXZTVCZNETI-JSGCOSHPSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360702331 524901264 /nfs/dbraw/zinc/90/12/64/524901264.db2.gz IVVVRHSYOZNWST-RHSMWYFYSA-N 2 0 283.419 2.707 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1CC[NH+](C)CC1 ZINC000157453290 524922998 /nfs/dbraw/zinc/92/29/98/524922998.db2.gz DYBRLLTVDWVISE-ZDUSSCGKSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000339412678 524992977 /nfs/dbraw/zinc/99/29/77/524992977.db2.gz QGVOTCOPIHWNOA-OAHLLOKOSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000082474649 524993407 /nfs/dbraw/zinc/99/34/07/524993407.db2.gz LLYFMDGBKNYKPG-SECBINFHSA-N 2 0 258.818 2.961 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000168655734 525013115 /nfs/dbraw/zinc/01/31/15/525013115.db2.gz USFBSCVHPIDTGR-VXGBXAGGSA-N 2 0 273.355 2.543 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197690 525139974 /nfs/dbraw/zinc/13/99/74/525139974.db2.gz PSHQGWWRRXOOKY-QGZVFWFLSA-N 2 0 258.409 2.959 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1nccs1 ZINC000227498036 525315872 /nfs/dbraw/zinc/31/58/72/525315872.db2.gz VOJQTSOJTSHPCH-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)c(OC)c1 ZINC000045663245 525318433 /nfs/dbraw/zinc/31/84/33/525318433.db2.gz ZNYNSBQBDWRUGC-ZDUSSCGKSA-N 2 0 280.412 2.696 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000361162940 525325597 /nfs/dbraw/zinc/32/55/97/525325597.db2.gz HBZMQGNPCHBOBV-HNNXBMFYSA-N 2 0 298.434 2.865 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423289494 534850023 /nfs/dbraw/zinc/85/00/23/534850023.db2.gz BDUTUXPQZQARMO-NEPJUHHUSA-N 2 0 272.396 2.599 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092032 525421940 /nfs/dbraw/zinc/42/19/40/525421940.db2.gz NFRHYVZAFBLLRH-LJIGWXMPSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc2ccccc2o1 ZINC000231786847 525452442 /nfs/dbraw/zinc/45/24/42/525452442.db2.gz QJJSHWTVSYSCIN-CYBMUJFWSA-N 2 0 276.380 2.662 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c(C)s1 ZINC000231786904 525462429 /nfs/dbraw/zinc/46/24/29/525462429.db2.gz YOXUTFRJNKSKRU-GFCCVEGCSA-N 2 0 270.442 2.594 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353540854 525492569 /nfs/dbraw/zinc/49/25/69/525492569.db2.gz QFJVKWMUIJKVDP-CABCVRRESA-N 2 0 275.440 2.740 20 0 CFADRP CSCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000194954707 525502594 /nfs/dbraw/zinc/50/25/94/525502594.db2.gz DECSPPSZWKBRIF-OAHLLOKOSA-N 2 0 270.486 2.793 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309706223 525504594 /nfs/dbraw/zinc/50/45/94/525504594.db2.gz HVJKAMFIDNBJDL-GDBMZVCRSA-N 2 0 284.407 2.582 20 0 CFADRP C[C@@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)C1C[NH2+]C1 ZINC000335069854 525654790 /nfs/dbraw/zinc/65/47/90/525654790.db2.gz RZMYCSIXNNJPGE-MLGOLLRUSA-N 2 0 258.409 2.898 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000150946978 525722230 /nfs/dbraw/zinc/72/22/30/525722230.db2.gz ZKTZKFSVCXPSNS-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423297213 534878492 /nfs/dbraw/zinc/87/84/92/534878492.db2.gz JESXFVINKGBUJD-VHSXEESVSA-N 2 0 255.431 2.820 20 0 CFADRP Cc1ccncc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000162704971 525745299 /nfs/dbraw/zinc/74/52/99/525745299.db2.gz QICBUEPJOPQXRX-UHFFFAOYSA-N 2 0 282.391 2.544 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423297214 534879721 /nfs/dbraw/zinc/87/97/21/534879721.db2.gz JESXFVINKGBUJD-ZJUUUORDSA-N 2 0 255.431 2.820 20 0 CFADRP C[C@@H](O)C[C@H](C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305155768 525830342 /nfs/dbraw/zinc/83/03/42/525830342.db2.gz VRWSQEBPVAGISA-LSDHHAIUSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@]1(C[NH2+]C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000374280728 525847779 /nfs/dbraw/zinc/84/77/79/525847779.db2.gz RSTLDPAQDOYCDE-SFHVURJKSA-N 2 0 288.435 2.667 20 0 CFADRP Cc1ccc(C(=O)CC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000053935953 526041015 /nfs/dbraw/zinc/04/10/15/526041015.db2.gz XVELYANEDNGBNF-UHFFFAOYSA-N 2 0 288.435 2.841 20 0 CFADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337164 526072254 /nfs/dbraw/zinc/07/22/54/526072254.db2.gz ANNZLEQWXUQJMZ-KDOFPFPSSA-N 2 0 284.403 2.950 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000334784107 526160564 /nfs/dbraw/zinc/16/05/64/526160564.db2.gz FTZBZNZLDDDXHE-UHFFFAOYSA-N 2 0 276.449 2.984 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000414691588 526328303 /nfs/dbraw/zinc/32/83/03/526328303.db2.gz PGCABOBWHSASDA-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP CC(C)(C)[NH2+]CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000414679170 526328693 /nfs/dbraw/zinc/32/86/93/526328693.db2.gz LHJCAYZMPFGJKR-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000192353374 526367576 /nfs/dbraw/zinc/36/75/76/526367576.db2.gz FOGKMOBPNPHLFJ-MRXNPFEDSA-N 2 0 274.408 2.845 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422756716 526684089 /nfs/dbraw/zinc/68/40/89/526684089.db2.gz HWVCQNQVFALVTL-WOFIAXNJSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000311120063 526752963 /nfs/dbraw/zinc/75/29/63/526752963.db2.gz UFEWLMIPKIRAEB-GWCFXTLKSA-N 2 0 267.442 2.943 20 0 CFADRP Cc1nc(C[NH2+]CCCCC[NH+]2CCCC2)cs1 ZINC000339508939 526887997 /nfs/dbraw/zinc/88/79/97/526887997.db2.gz VOQLXJZYQSBXJS-UHFFFAOYSA-N 2 0 267.442 2.807 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334979883 527000837 /nfs/dbraw/zinc/00/08/37/527000837.db2.gz JZGCPKGYXKDJOX-CHWSQXEVSA-N 2 0 279.815 2.557 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422812338 527084446 /nfs/dbraw/zinc/08/44/46/527084446.db2.gz XMKWESKGYJDHIL-HEHGZKQESA-N 2 0 289.423 2.684 20 0 CFADRP Cn1c2ccccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336468151 527115958 /nfs/dbraw/zinc/11/59/58/527115958.db2.gz QBFKCFYHVGWTOG-OAHLLOKOSA-N 2 0 298.434 2.537 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cc2s1 ZINC000334867392 527139714 /nfs/dbraw/zinc/13/97/14/527139714.db2.gz DMXJHCYERIPCMP-GWCFXTLKSA-N 2 0 275.421 2.835 20 0 CFADRP [NH3+]CC1CCC([N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000335006137 527165851 /nfs/dbraw/zinc/16/58/51/527165851.db2.gz BADCBFCTIHAIOY-YMAMQOFZSA-N 2 0 268.470 2.723 20 0 CFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000422741807 527169228 /nfs/dbraw/zinc/16/92/28/527169228.db2.gz PBORTAONNXPAKK-FUNVUKJBSA-N 2 0 264.438 2.898 20 0 CFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000422846683 527169638 /nfs/dbraw/zinc/16/96/38/527169638.db2.gz GEPKYGDIOIMEIP-PBWFPOADSA-N 2 0 276.399 2.976 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1cccnc1 ZINC000423184889 527176973 /nfs/dbraw/zinc/17/69/73/527176973.db2.gz NNXZPKMLSZRESH-LSDHHAIUSA-N 2 0 261.413 2.609 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000084220574 527236366 /nfs/dbraw/zinc/23/63/66/527236366.db2.gz RTKJCKQKDQLUSH-DGCLKSJQSA-N 2 0 283.213 2.666 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@]3(C2)CCC[NH2+]C3)c1Cl ZINC000334994754 527347572 /nfs/dbraw/zinc/34/75/72/527347572.db2.gz HHXIAERSVNFQLY-CQSZACIVSA-N 2 0 265.788 2.623 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(O)cc2)c2ccccc21 ZINC000157417960 527378281 /nfs/dbraw/zinc/37/82/81/527378281.db2.gz CZWOIVUVWLBUOK-SJORKVTESA-N 2 0 268.360 2.669 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897194 527471464 /nfs/dbraw/zinc/47/14/64/527471464.db2.gz SFMRKHUWVNYGIP-DAXSKMNVSA-N 2 0 297.402 2.945 20 0 CFADRP C(C[NH2+]C1CCCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000414815925 527484102 /nfs/dbraw/zinc/48/41/02/527484102.db2.gz VKKRBPCNTNBSNW-CYBMUJFWSA-N 2 0 256.459 2.642 20 0 CFADRP C(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC1CCCC1 ZINC000422804402 527486134 /nfs/dbraw/zinc/48/61/34/527486134.db2.gz KJOXDBHDOFECSB-GVDBMIGSSA-N 2 0 280.456 2.704 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423283087 527487068 /nfs/dbraw/zinc/48/70/68/527487068.db2.gz XBLZDKYPCDPLHF-MWDXBVQZSA-N 2 0 280.456 2.561 20 0 CFADRP C(C[C@H]1CC[NH2+]C1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423239201 527488552 /nfs/dbraw/zinc/48/85/52/527488552.db2.gz AYGZAPZBTKAGJC-HPUBIQBYSA-N 2 0 280.456 2.846 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1(C2CCC2)CCC1 ZINC000423168860 527491403 /nfs/dbraw/zinc/49/14/03/527491403.db2.gz VBGDMNRBWCKPRL-IXDOHACOSA-N 2 0 292.467 2.704 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC12CCC2 ZINC000336347049 527569143 /nfs/dbraw/zinc/56/91/43/527569143.db2.gz KGQMPYJTWLOJSQ-UHFFFAOYSA-N 2 0 268.364 2.704 20 0 CFADRP CC(C)C1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422924997 527615817 /nfs/dbraw/zinc/61/58/17/527615817.db2.gz ZQKMFERWZPNTLP-GOEBONIOSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)CCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414785483 527776690 /nfs/dbraw/zinc/77/66/90/527776690.db2.gz JBDIZAMOHUSZGN-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC000153013978 527815200 /nfs/dbraw/zinc/81/52/00/527815200.db2.gz YZMIBIPONAMPBM-QWHCGFSZSA-N 2 0 280.387 2.827 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@H]1Oc1ccccc1 ZINC000423215594 527869272 /nfs/dbraw/zinc/86/92/72/527869272.db2.gz QVGFLTUDDORLGY-DJIMGWMZSA-N 2 0 288.435 2.822 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423256909 527940301 /nfs/dbraw/zinc/94/03/01/527940301.db2.gz GOSGYFFLVAJRIB-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423221401 527940894 /nfs/dbraw/zinc/94/08/94/527940894.db2.gz ZTJYDRRYHNGPEK-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834075 527951282 /nfs/dbraw/zinc/95/12/82/527951282.db2.gz HKBIZEHMNMDFIA-APIJFGDWSA-N 2 0 268.445 2.700 20 0 CFADRP CC1(C[NH2+]C(C2CCC2)C2CCC2)CC[NH2+]CC1 ZINC000423325884 527979666 /nfs/dbraw/zinc/97/96/66/527979666.db2.gz JYEGDEUGJSKOKP-UHFFFAOYSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000414905977 527982787 /nfs/dbraw/zinc/98/27/87/527982787.db2.gz OXHDBDJZUXTUNX-UHFFFAOYSA-N 2 0 252.789 2.819 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423141522 527999919 /nfs/dbraw/zinc/99/99/19/527999919.db2.gz QMWDFVMUHHSRLN-XYJFISCASA-N 2 0 291.483 2.655 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422802755 528050122 /nfs/dbraw/zinc/05/01/22/528050122.db2.gz CAIKABDGPZPNMY-CXAGYDPISA-N 2 0 293.455 2.951 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425364702 528060577 /nfs/dbraw/zinc/06/05/77/528060577.db2.gz ZQVHNJMLWOAKEF-KBPBESRZSA-N 2 0 258.475 2.982 20 0 CFADRP CC(C)c1ccc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000425991302 528087455 /nfs/dbraw/zinc/08/74/55/528087455.db2.gz UFQKDJQRALTBHR-HDICACEKSA-N 2 0 272.436 2.846 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414826675 528134311 /nfs/dbraw/zinc/13/43/11/528134311.db2.gz GAECMWQPGWYNIN-VKJFTORMSA-N 2 0 289.467 2.788 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000423233554 528144697 /nfs/dbraw/zinc/14/46/97/528144697.db2.gz DSCQFHMKSRMDLE-BMGDILEWSA-N 2 0 289.467 2.740 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000423233556 528145053 /nfs/dbraw/zinc/14/50/53/528145053.db2.gz DSCQFHMKSRMDLE-QGTPRVQTSA-N 2 0 289.467 2.740 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000423233557 528145204 /nfs/dbraw/zinc/14/52/04/528145204.db2.gz DSCQFHMKSRMDLE-ZTFGCOKTSA-N 2 0 289.467 2.740 20 0 CFADRP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423300623 528161540 /nfs/dbraw/zinc/16/15/40/528161540.db2.gz SBWLIZWTZNQPDN-UONOGXRCSA-N 2 0 264.413 2.967 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414792461 528162846 /nfs/dbraw/zinc/16/28/46/528162846.db2.gz IVYLLOGFTOOKSY-ZBFHGGJFSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414855756 528163848 /nfs/dbraw/zinc/16/38/48/528163848.db2.gz NMSSVOHZCPCRPZ-ZBFHGGJFSA-N 2 0 276.424 2.952 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000422840408 528172030 /nfs/dbraw/zinc/17/20/30/528172030.db2.gz SUJQNTQQKOWGBH-IKGGRYGDSA-N 3 0 283.504 2.994 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422739333 528184631 /nfs/dbraw/zinc/18/46/31/528184631.db2.gz LCGMUUVJGQZANE-AWEZNQCLSA-N 2 0 264.413 2.938 20 0 CFADRP CC1CCC(O)(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000173957478 528202375 /nfs/dbraw/zinc/20/23/75/528202375.db2.gz ZIYWGIGVRNEQNN-AQFXKWCLSA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422957078 528205071 /nfs/dbraw/zinc/20/50/71/528205071.db2.gz MHZJTAYVXLFWCL-LSDHHAIUSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422892332 528209191 /nfs/dbraw/zinc/20/91/91/528209191.db2.gz MTJUKYULOIVOFQ-QWHCGFSZSA-N 2 0 262.397 2.732 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414855138 528255779 /nfs/dbraw/zinc/25/57/79/528255779.db2.gz VRGPGZRRPRQIMC-OAHLLOKOSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H](C)CCCC[NH3+])cs1 ZINC000422906022 528272743 /nfs/dbraw/zinc/27/27/43/528272743.db2.gz TYWOCGVSBGKDAD-LBPRGKRZSA-N 2 0 269.458 2.916 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000415088725 528278710 /nfs/dbraw/zinc/27/87/10/528278710.db2.gz MISBPAKGZUNOEX-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)CC(C)C ZINC000422825140 528281687 /nfs/dbraw/zinc/28/16/87/528281687.db2.gz JBTJOBDIVHQNMG-ULQDDVLXSA-N 2 0 283.504 2.721 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)CC[NH3+])cc(Cl)c1OC ZINC000414889462 528283638 /nfs/dbraw/zinc/28/36/38/528283638.db2.gz SRZJSBUKHPISJN-SNVBAGLBSA-N 2 0 286.803 2.574 20 0 CFADRP CC(C)c1nc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cs1 ZINC000423250322 528300489 /nfs/dbraw/zinc/30/04/89/528300489.db2.gz QDFGUZTXKZVUOT-NEPJUHHUSA-N 2 0 267.442 2.917 20 0 CFADRP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414985834 528317083 /nfs/dbraw/zinc/31/70/83/528317083.db2.gz BOMXJILMPGNGTL-QWHCGFSZSA-N 2 0 296.484 2.596 20 0 CFADRP CCN(CC)c1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414814584 528318512 /nfs/dbraw/zinc/31/85/12/528318512.db2.gz ZIWBMTYZKKBGPQ-GXTWGEPZSA-N 2 0 296.484 2.596 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414683320 528338087 /nfs/dbraw/zinc/33/80/87/528338087.db2.gz ZYRBXKDLXKMNJZ-FUHWJXTLSA-N 3 0 295.515 2.818 20 0 CFADRP CCCC[N@H+](C)CC1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414679258 528338980 /nfs/dbraw/zinc/33/89/80/528338980.db2.gz RRBVFLMDQNLKKQ-QGZVFWFLSA-N 2 0 283.504 2.804 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414683321 528339000 /nfs/dbraw/zinc/33/90/00/528339000.db2.gz ZYRBXKDLXKMNJZ-SJLPKXTDSA-N 3 0 295.515 2.818 20 0 CFADRP CC[NH2+]Cc1cccc(NC[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414860548 528347432 /nfs/dbraw/zinc/34/74/32/528347432.db2.gz CWDBHHZVGXLAML-UKRRQHHQSA-N 2 0 261.413 2.596 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414848148 528455615 /nfs/dbraw/zinc/45/56/15/528455615.db2.gz KDHLGALNTVGVSU-CQSZACIVSA-N 2 0 292.423 2.573 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000423108054 528461071 /nfs/dbraw/zinc/46/10/71/528461071.db2.gz QRJUNKAWBVBDCH-CYBMUJFWSA-N 2 0 282.815 2.970 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000414821753 528461474 /nfs/dbraw/zinc/46/14/74/528461474.db2.gz LSGQEVRGPBCQGC-JSGCOSHPSA-N 2 0 280.387 2.702 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414792698 528466148 /nfs/dbraw/zinc/46/61/48/528466148.db2.gz CRNBMXOLHDTKQE-GJZGRUSLSA-N 2 0 292.423 2.701 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423245757 528491153 /nfs/dbraw/zinc/49/11/53/528491153.db2.gz JIQXBKZPPHPOJA-DOTOQJQBSA-N 2 0 278.415 2.982 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423288968 528494991 /nfs/dbraw/zinc/49/49/91/528494991.db2.gz AEORCUVWKUZDFQ-RHSMWYFYSA-N 2 0 286.423 2.717 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414876098 528513799 /nfs/dbraw/zinc/51/37/99/528513799.db2.gz VNBPQJVNYGJSQI-CQSZACIVSA-N 2 0 285.435 2.923 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1C ZINC000422874508 528515253 /nfs/dbraw/zinc/51/52/53/528515253.db2.gz DAZNAQVKZLABKQ-HZPDHXFCSA-N 2 0 275.440 2.538 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414840628 528518208 /nfs/dbraw/zinc/51/82/08/528518208.db2.gz MOUQJKVWWDPNIE-NXHRZFHOSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccn1 ZINC000423330529 528570893 /nfs/dbraw/zinc/57/08/93/528570893.db2.gz CAWMQSIIIDKRLZ-INIZCTEOSA-N 2 0 259.397 2.678 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000423233043 528581353 /nfs/dbraw/zinc/58/13/53/528581353.db2.gz NQQARKRNCJPQBK-SSDMNJCBSA-N 2 0 265.376 2.777 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(F)c(F)c1 ZINC000423299594 528588633 /nfs/dbraw/zinc/58/86/33/528588633.db2.gz BYMXNYJIVLQOCO-QMTHXVAHSA-N 2 0 256.340 2.846 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1OCC ZINC000423299657 528594290 /nfs/dbraw/zinc/59/42/90/528594290.db2.gz QJFUSRSVXBMAAT-CHWSQXEVSA-N 2 0 280.412 2.729 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422697914 528598203 /nfs/dbraw/zinc/59/82/03/528598203.db2.gz WUGWITIDIGAPJV-KGLIPLIRSA-N 2 0 264.413 2.829 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1OCC ZINC000423255991 528607466 /nfs/dbraw/zinc/60/74/66/528607466.db2.gz BEAMHNFRLCXUBY-KGLIPLIRSA-N 2 0 294.439 2.990 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000422885273 528635395 /nfs/dbraw/zinc/63/53/95/528635395.db2.gz GSFXCOWWPOOCCD-KBPBESRZSA-N 2 0 256.434 2.689 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)CCC[NH3+])CCCC1 ZINC000422888723 528635534 /nfs/dbraw/zinc/63/55/34/528635534.db2.gz NPMZPYUWLXQBJT-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C1(C)C ZINC000422820522 528642567 /nfs/dbraw/zinc/64/25/67/528642567.db2.gz RALPRWUOGSIHHK-MELADBBJSA-N 2 0 256.434 2.687 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000422815258 528650457 /nfs/dbraw/zinc/65/04/57/528650457.db2.gz BCSWASDOGMWHBK-CVSAEHQPSA-N 2 0 268.445 2.830 20 0 CFADRP CCCCOc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OC ZINC000414886463 528654434 /nfs/dbraw/zinc/65/44/34/528654434.db2.gz YFZYMZLORRMOSN-CYBMUJFWSA-N 2 0 280.412 2.559 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414877348 528675904 /nfs/dbraw/zinc/67/59/04/528675904.db2.gz MPNYDXVXPFHSDK-CYBMUJFWSA-N 2 0 250.386 2.550 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@@H](C)C[NH2+]C)cc1 ZINC000414829417 528676399 /nfs/dbraw/zinc/67/63/99/528676399.db2.gz ASMQLKLHNXWLCU-AWEZNQCLSA-N 2 0 264.413 2.811 20 0 CFADRP CCCCOc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1OC ZINC000414883658 528677033 /nfs/dbraw/zinc/67/70/33/528677033.db2.gz NEGGWKSNWOHDPL-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000414905943 528687475 /nfs/dbraw/zinc/68/74/75/528687475.db2.gz ALNTUCMTYSZBAS-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422828220 528689309 /nfs/dbraw/zinc/68/93/09/528689309.db2.gz NYOHJAHFMZWKGQ-QWHCGFSZSA-N 2 0 280.412 2.699 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422782029 528689632 /nfs/dbraw/zinc/68/96/32/528689632.db2.gz MMWCXUQYPMVASK-UPJWGTAASA-N 2 0 250.386 2.862 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175722774 528690159 /nfs/dbraw/zinc/69/01/59/528690159.db2.gz MANQHZINJVWYKF-CVEARBPZSA-N 2 0 298.471 2.772 20 0 CFADRP CCCCOc1ccccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414895173 528702222 /nfs/dbraw/zinc/70/22/22/528702222.db2.gz MQMSRFBVJWFNQK-ZDUSSCGKSA-N 2 0 250.386 2.692 20 0 CFADRP CCOc1ccccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414909493 528730385 /nfs/dbraw/zinc/73/03/85/528730385.db2.gz RIMMVQAZBSBDKQ-UHFFFAOYSA-N 2 0 262.397 2.565 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130978 528752455 /nfs/dbraw/zinc/75/24/55/528752455.db2.gz YFTRCJJDYCHFKW-HZPDHXFCSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415024987 528767533 /nfs/dbraw/zinc/76/75/33/528767533.db2.gz OPGWAWKNSDFCCO-VGWMRTNUSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423148672 528781577 /nfs/dbraw/zinc/78/15/77/528781577.db2.gz GJPUDUMKHKYIBS-UGUYLWEFSA-N 2 0 268.445 2.687 20 0 CFADRP CCCC[C@@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414972253 528782699 /nfs/dbraw/zinc/78/26/99/528782699.db2.gz JOUKFMXBNZJYSS-CQSZACIVSA-N 2 0 256.434 2.561 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423151904 528795610 /nfs/dbraw/zinc/79/56/10/528795610.db2.gz KTDAXFJOGHPRDU-QSPRXWTASA-N 2 0 260.425 2.827 20 0 CFADRP CCC(CC)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814891 528822551 /nfs/dbraw/zinc/82/25/51/528822551.db2.gz AKABWNIUGKSYGR-USXIJHARSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[NH+](CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000423304554 528905566 /nfs/dbraw/zinc/90/55/66/528905566.db2.gz YYSUHDWGWIAPFO-CQSZACIVSA-N 2 0 291.439 2.555 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414805513 528954233 /nfs/dbraw/zinc/95/42/33/528954233.db2.gz GERNEKLPHFZQLI-RDJZCZTQSA-N 2 0 289.467 2.929 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423287477 528954826 /nfs/dbraw/zinc/95/48/26/528954826.db2.gz MNUHRHKKVJTRKH-WBVHZDCISA-N 2 0 289.467 2.757 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422792723 528968392 /nfs/dbraw/zinc/96/83/92/528968392.db2.gz WEQZEGMPLFALLP-RCCFBDPRSA-N 3 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000427370476 528997832 /nfs/dbraw/zinc/99/78/32/528997832.db2.gz RZSVEBNBQZEAOQ-CQSZACIVSA-N 2 0 269.392 2.943 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423282711 529009512 /nfs/dbraw/zinc/00/95/12/529009512.db2.gz WUFHJCRQPZQQMO-XJKSGUPXSA-N 2 0 264.413 2.982 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414796134 529068440 /nfs/dbraw/zinc/06/84/40/529068440.db2.gz NQFFUVSPSHMHCA-SWLSCSKDSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423280439 529070873 /nfs/dbraw/zinc/07/08/73/529070873.db2.gz UEMQKCMCVRXXBL-FVQBIDKESA-N 2 0 261.413 2.681 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422808821 529072104 /nfs/dbraw/zinc/07/21/04/529072104.db2.gz OSECYADJVXCJKP-RHSMWYFYSA-N 2 0 276.424 2.701 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H](C)[C@H]1OC ZINC000422987823 529111112 /nfs/dbraw/zinc/11/11/12/529111112.db2.gz JIKRPUNWQVMWLW-MEBFFEOJSA-N 2 0 256.434 2.542 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000423348358 529158489 /nfs/dbraw/zinc/15/84/89/529158489.db2.gz SNYAMXGRZJONDY-OAHLLOKOSA-N 2 0 290.407 2.664 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423177202 529161673 /nfs/dbraw/zinc/16/16/73/529161673.db2.gz IITDIDOAQSLNPG-MRXNPFEDSA-N 2 0 295.858 2.676 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414850904 529174637 /nfs/dbraw/zinc/17/46/37/529174637.db2.gz ZUBMOEHBQXOOOP-CYBMUJFWSA-N 2 0 264.388 2.867 20 0 CFADRP CCSCCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423116323 529178165 /nfs/dbraw/zinc/17/81/65/529178165.db2.gz PIWQAMKLSZKQIF-NSHDSACASA-N 2 0 267.442 2.643 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159905468 529195527 /nfs/dbraw/zinc/19/55/27/529195527.db2.gz BQWZHRSMFIGKJQ-BFHYXJOUSA-N 2 0 256.459 2.735 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422906264 529217262 /nfs/dbraw/zinc/21/72/62/529217262.db2.gz JKROMCJNPGUENN-PMRDEQMMSA-N 2 0 293.499 2.760 20 0 CFADRP CCSc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414831322 529252414 /nfs/dbraw/zinc/25/24/14/529252414.db2.gz NCUYJSOPSLWDDU-CYBMUJFWSA-N 2 0 264.438 2.888 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422907536 529297918 /nfs/dbraw/zinc/29/79/18/529297918.db2.gz LNUFVWWVYHEPNM-OAGGEKHMSA-N 2 0 281.488 2.604 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CCC(COC)CC2)CC1 ZINC000449128745 535353193 /nfs/dbraw/zinc/35/31/93/535353193.db2.gz AIXLKGWIOUFJHO-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CCOCCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268735444 535551708 /nfs/dbraw/zinc/55/17/08/535551708.db2.gz NPJQKCPGBZFLKI-OAHLLOKOSA-N 2 0 294.439 2.704 20 0 CFADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCCCC1)CC(C)C ZINC000164411081 535670918 /nfs/dbraw/zinc/67/09/18/535670918.db2.gz XUGQQUASZPHBFU-HNNXBMFYSA-N 2 0 297.487 2.521 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC2=CCCCC2)CC1 ZINC000451994377 535671401 /nfs/dbraw/zinc/67/14/01/535671401.db2.gz VMWBYUNTXNQQOT-UHFFFAOYSA-N 2 0 293.499 2.883 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CCC(C)CC2)CC1 ZINC000449746461 535671732 /nfs/dbraw/zinc/67/17/32/535671732.db2.gz RRJLERZOHJOAPF-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CCCCCC2)CC1 ZINC000449743692 535672191 /nfs/dbraw/zinc/67/21/91/535672191.db2.gz AIMWUHDOCAWAIW-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCF)CC1 ZINC000341799737 535746477 /nfs/dbraw/zinc/74/64/77/535746477.db2.gz HFZNBVQYCIVOLX-CYBMUJFWSA-N 2 0 297.393 2.588 20 0 CFADRP CCc1cccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435621536 535904464 /nfs/dbraw/zinc/90/44/64/535904464.db2.gz MFTCIHZIXLTLED-INIZCTEOSA-N 2 0 276.424 2.702 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000450400439 535943978 /nfs/dbraw/zinc/94/39/78/535943978.db2.gz GSLFVKNLBGFEFS-AWEZNQCLSA-N 2 0 266.816 2.766 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000459728449 536383880 /nfs/dbraw/zinc/38/38/80/536383880.db2.gz HYXBHUZVLZZBOA-QGZVFWFLSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000459740965 536384843 /nfs/dbraw/zinc/38/48/43/536384843.db2.gz USJAPYFQXCABLH-LLVKDONJSA-N 2 0 286.341 2.925 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000435375614 536519531 /nfs/dbraw/zinc/51/95/31/536519531.db2.gz VTUKCAZWRGWOGO-YDHLFZDLSA-N 2 0 294.414 2.682 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000268982565 536874944 /nfs/dbraw/zinc/87/49/44/536874944.db2.gz PFOIVNLKAMMJTH-HRCADAONSA-N 2 0 278.440 2.910 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459721826 536890752 /nfs/dbraw/zinc/89/07/52/536890752.db2.gz BCEITXOVBGOZHJ-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cnc(C)s2)C1 ZINC000090404244 545500773 /nfs/dbraw/zinc/50/07/73/545500773.db2.gz IAHBGUOIDKWQKK-AAEUAGOBSA-N 2 0 267.442 2.834 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000729266723 574194854 /nfs/dbraw/zinc/19/48/54/574194854.db2.gz CCPFNJXMIOBOBH-MRXNPFEDSA-N 2 0 276.424 2.647 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000415115058 574207865 /nfs/dbraw/zinc/20/78/65/574207865.db2.gz YHKNQBJMBVRNDO-DOTOQJQBSA-N 2 0 275.440 2.833 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000415115062 574207989 /nfs/dbraw/zinc/20/79/89/574207989.db2.gz YHKNQBJMBVRNDO-RDJZCZTQSA-N 2 0 275.440 2.833 20 0 CFADRP CC(C)c1cnc(CN2CCC(c3ncc[nH]3)CC2)o1 ZINC000735869562 574341041 /nfs/dbraw/zinc/34/10/41/574341041.db2.gz BOCWXPCKHHVGQD-UHFFFAOYSA-N 2 0 274.368 2.901 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CCCSC1)[NH+]1CCCCC1 ZINC000753592683 574405737 /nfs/dbraw/zinc/40/57/37/574405737.db2.gz ZUVIOEISZOAYMJ-UONOGXRCSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000753670559 574407782 /nfs/dbraw/zinc/40/77/82/574407782.db2.gz AOQHPSFWNABLGC-OTBWCIGPSA-N 2 0 280.456 2.941 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827803 621450819 /nfs/dbraw/zinc/45/08/19/621450819.db2.gz XLGFIJPFEWKVGS-AWEZNQCLSA-N 2 0 256.459 2.723 20 0 CFADRP CCC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC000971979699 614535163 /nfs/dbraw/zinc/53/51/63/614535163.db2.gz WUERXDKVWIZJKE-OAHLLOKOSA-N 2 0 289.423 2.563 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(F)c1 ZINC000051694236 618049211 /nfs/dbraw/zinc/04/92/11/618049211.db2.gz CMWKTQFZJNJJDC-VOMCLLRMSA-N 2 0 266.360 2.755 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000252788465 617632689 /nfs/dbraw/zinc/63/26/89/617632689.db2.gz RATRYSDIKUNLCI-WOPDTQHZSA-N 2 0 264.335 2.839 20 0 CFADRP Cn1cccc1[C@@H]1CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000891504023 617640496 /nfs/dbraw/zinc/64/04/96/617640496.db2.gz ZRWKYLWPIMLAOR-INIZCTEOSA-N 2 0 261.413 2.504 20 0 CFADRP CC(C)[C@@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCCCC1 ZINC000066242738 617680777 /nfs/dbraw/zinc/68/07/77/617680777.db2.gz RLWGLZZDPODSGX-MRXNPFEDSA-N 2 0 294.487 2.944 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)o2)CC1 ZINC000891611569 617684992 /nfs/dbraw/zinc/68/49/92/617684992.db2.gz PQMYVOCETLBVAV-UHFFFAOYSA-N 2 0 280.412 2.842 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCCCCO)C2)CC1 ZINC000175755709 617687870 /nfs/dbraw/zinc/68/78/70/617687870.db2.gz LACHHNAGGLLQKT-SFHVURJKSA-N 2 0 296.499 2.983 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCCCC[NH3+] ZINC000843342403 617703960 /nfs/dbraw/zinc/70/39/60/617703960.db2.gz QDJJMPWYMIMEML-AWEZNQCLSA-N 2 0 280.387 2.930 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CCCC[C@@H]2C[NH3+])([NH+](C)C)C1 ZINC000251698725 617715280 /nfs/dbraw/zinc/71/52/80/617715280.db2.gz HOLGCTLYJRPIIG-NCOADZHNSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCCCCC[NH3+])c(C)s1 ZINC000843342569 617737114 /nfs/dbraw/zinc/73/71/14/617737114.db2.gz RZDOMYUSPOLQLP-SNVBAGLBSA-N 2 0 255.431 2.930 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000843342626 617746201 /nfs/dbraw/zinc/74/62/01/617746201.db2.gz NLEXGBCXDIYMQI-CYBMUJFWSA-N 2 0 262.397 2.791 20 0 CFADRP COc1ccc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000891781977 617749989 /nfs/dbraw/zinc/74/99/89/617749989.db2.gz OLOUTIKJGVNBKP-CYBMUJFWSA-N 2 0 297.402 2.562 20 0 CFADRP C[C@H]1CCC[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933737538 617765376 /nfs/dbraw/zinc/76/53/76/617765376.db2.gz QNOOYTRJZGUSCX-YHUYYLMFSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccccc1 ZINC000933741357 617766559 /nfs/dbraw/zinc/76/65/59/617766559.db2.gz UNYYEVJTSCXTJY-BHYGNILZSA-N 2 0 258.409 2.674 20 0 CFADRP C[C@H]1c2ccccc2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891950102 617848383 /nfs/dbraw/zinc/84/83/83/617848383.db2.gz GDHMSFOFBIPQAF-AWEZNQCLSA-N 2 0 258.409 2.948 20 0 CFADRP Cc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000892033489 617920064 /nfs/dbraw/zinc/92/00/64/617920064.db2.gz GBYCBLCRQPMQBE-QGZVFWFLSA-N 2 0 260.425 2.729 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262033570 617939505 /nfs/dbraw/zinc/93/95/05/617939505.db2.gz OIGPZWJKMAPBJN-UHFFFAOYSA-N 2 0 296.418 2.652 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000892119818 617960401 /nfs/dbraw/zinc/96/04/01/617960401.db2.gz HCOBAJVKRHCCGB-SFHVURJKSA-N 2 0 287.451 2.905 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cnn(C4CCC4)c3)CC[C@@H]21 ZINC000892225476 618014581 /nfs/dbraw/zinc/01/45/81/618014581.db2.gz BXRBLYFIWJRCDL-WBVHZDCISA-N 2 0 288.439 2.524 20 0 CFADRP CC(C)CCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000892233713 618017707 /nfs/dbraw/zinc/01/77/07/618017707.db2.gz JBGBCAMNEMOKCN-GVDBMIGSSA-N 2 0 282.472 2.996 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846222256 618098175 /nfs/dbraw/zinc/09/81/75/618098175.db2.gz BSFKGSZRNDPUJI-GJZGRUSLSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCCCCC[NH3+])C1 ZINC000846219852 618098351 /nfs/dbraw/zinc/09/83/51/618098351.db2.gz ADOSSLJTUZIWRH-GOEBONIOSA-N 2 0 270.461 2.672 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000091439327 618103449 /nfs/dbraw/zinc/10/34/49/618103449.db2.gz UWMXVRSEBIZSMC-UHFFFAOYSA-N 2 0 267.804 2.509 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2nc3ccccc3s2)CC1 ZINC000054240169 618116952 /nfs/dbraw/zinc/11/69/52/618116952.db2.gz ZXHAXRZEEGTAOB-UHFFFAOYSA-N 2 0 289.448 2.770 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc3C2)c2ccccc21 ZINC000262234106 618133951 /nfs/dbraw/zinc/13/39/51/618133951.db2.gz OGTDSODNKKDAQJ-XYPHTWIQSA-N 2 0 280.371 2.725 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000261764984 618137521 /nfs/dbraw/zinc/13/75/21/618137521.db2.gz OALFPJYSYZBYIG-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H](CC[NH2+]C1CC2(C1)CO[C@@H](C)C2)[NH+]1CCCCC1 ZINC000926141056 618170137 /nfs/dbraw/zinc/17/01/37/618170137.db2.gz FHZZPOKGUZJERB-XNIRIUNOSA-N 2 0 280.456 2.798 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261648763 618179268 /nfs/dbraw/zinc/17/92/68/618179268.db2.gz RAWVOVCKBYAIQP-YYIAUSFCSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261915818 618192706 /nfs/dbraw/zinc/19/27/06/618192706.db2.gz JXDMUPBMOIUGRL-NFAWXSAZSA-N 2 0 264.388 2.988 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926560082 618208734 /nfs/dbraw/zinc/20/87/34/618208734.db2.gz RBJQZFYOVAQAKN-CPUCHLNUSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000251204481 618209834 /nfs/dbraw/zinc/20/98/34/618209834.db2.gz LJZGCGYRRGHYAL-DJIMGWMZSA-N 2 0 288.435 2.891 20 0 CFADRP c1ccc2c(c1)C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC000093678216 618215440 /nfs/dbraw/zinc/21/54/40/618215440.db2.gz VDUSCDPILLHJRK-ZXFUBFMLSA-N 2 0 286.419 2.802 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925567000 618248619 /nfs/dbraw/zinc/24/86/19/618248619.db2.gz MYLOQBJNVMOBGN-BZUAXINKSA-N 2 0 293.499 2.747 20 0 CFADRP FC(F)(F)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925572288 618253071 /nfs/dbraw/zinc/25/30/71/618253071.db2.gz HYWBQXTULWNLML-RYUDHWBXSA-N 2 0 264.335 2.697 20 0 CFADRP CCOc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000894037545 618282326 /nfs/dbraw/zinc/28/23/26/618282326.db2.gz QCXNPEJHLANOFS-ZDUSSCGKSA-N 2 0 266.385 2.594 20 0 CFADRP Cc1ccccc1C1([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000895092113 618284599 /nfs/dbraw/zinc/28/45/99/618284599.db2.gz MPAPPHXHUKTDIE-UHFFFAOYSA-N 2 0 258.409 2.916 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000893304048 618286775 /nfs/dbraw/zinc/28/67/75/618286775.db2.gz JOMUYWYAZATKHN-UHFFFAOYSA-N 2 0 273.424 2.632 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000925606800 618296817 /nfs/dbraw/zinc/29/68/17/618296817.db2.gz XVXPSRYWLQSADP-LIRLIREKSA-N 2 0 290.382 2.755 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)C12CCC2 ZINC000925609842 618305354 /nfs/dbraw/zinc/30/53/54/618305354.db2.gz WKWQGXXDIVKVDF-IAGOWNOFSA-N 3 0 293.499 2.892 20 0 CFADRP Cc1cc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)no1 ZINC000895113233 618314395 /nfs/dbraw/zinc/31/43/95/618314395.db2.gz VMSJDQOPAPOYGR-CTYIDZIISA-N 2 0 286.379 2.655 20 0 CFADRP C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000925613913 618315222 /nfs/dbraw/zinc/31/52/22/618315222.db2.gz UZKQYCCUXIKQLP-VYDXJSESSA-N 2 0 275.440 2.539 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H](CCO)C2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925614266 618315523 /nfs/dbraw/zinc/31/55/23/618315523.db2.gz HMKBZTDKWALEKO-OWCLPIDISA-N 2 0 282.472 2.813 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000924861884 618329074 /nfs/dbraw/zinc/32/90/74/618329074.db2.gz OFRJXQIABPLNII-UQPPLGOBSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2C2CCC2)CC1 ZINC000895124375 618337835 /nfs/dbraw/zinc/33/78/35/618337835.db2.gz KGHQFYCQVBYUEV-MRXNPFEDSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000261705731 618340209 /nfs/dbraw/zinc/34/02/09/618340209.db2.gz DAWUTHNCBYVEFM-KGLIPLIRSA-N 2 0 289.423 2.737 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925622910 618340831 /nfs/dbraw/zinc/34/08/31/618340831.db2.gz QPGZKCRYKRDXNL-HOTGVXAUSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1)[NH2+]2 ZINC000925624079 618345785 /nfs/dbraw/zinc/34/57/85/618345785.db2.gz UWZREZJRBRATIV-WJNMYVKJSA-N 2 0 288.435 2.619 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925624178 618346971 /nfs/dbraw/zinc/34/69/71/618346971.db2.gz WAVVUPOQIQASTI-IKGGRYGDSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000219767618 618348368 /nfs/dbraw/zinc/34/83/68/618348368.db2.gz KWTOCLPYKSJTLY-SJORKVTESA-N 2 0 258.409 2.866 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627774 618352826 /nfs/dbraw/zinc/35/28/26/618352826.db2.gz DWOVOLHMVDTHJA-OVYGPGRDSA-N 2 0 294.483 2.946 20 0 CFADRP C[C@@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925631934 618359559 /nfs/dbraw/zinc/35/95/59/618359559.db2.gz ZCXZOUWWEWLVAA-BFYDXBDKSA-N 2 0 294.414 2.529 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccccc1 ZINC000925634752 618368298 /nfs/dbraw/zinc/36/82/98/618368298.db2.gz KTWCQNOIAVTGKV-LJQANCHMSA-N 2 0 298.430 2.791 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCNc1cccc(F)c1 ZINC000925636181 618368639 /nfs/dbraw/zinc/36/86/39/618368639.db2.gz APAHRRBYWXVEIK-IHXNAJNRSA-N 2 0 291.414 2.733 20 0 CFADRP CCN(CC)[C@H](CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000052040993 618368759 /nfs/dbraw/zinc/36/87/59/618368759.db2.gz UQJJTAVEUPIANK-OAHLLOKOSA-N 2 0 290.455 2.982 20 0 CFADRP CCCNC(=[NH2+])NC[C@H](c1ccccc1)N(CC)CC ZINC000052040983 618368991 /nfs/dbraw/zinc/36/89/91/618368991.db2.gz BITRPVXBYILRLY-OAHLLOKOSA-N 2 0 276.428 2.593 20 0 CFADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925636077 618369229 /nfs/dbraw/zinc/36/92/29/618369229.db2.gz QAQQUYXGVVAEHI-IAGOWNOFSA-N 2 0 290.451 2.853 20 0 CFADRP Cn1ncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1C1CC1 ZINC000893329550 618373000 /nfs/dbraw/zinc/37/30/00/618373000.db2.gz DDTQERJUVFGDPA-UHFFFAOYSA-N 2 0 298.434 2.649 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000895148299 618388777 /nfs/dbraw/zinc/38/87/77/618388777.db2.gz SDUTWCIWXLVIQC-QWHCGFSZSA-N 2 0 262.800 2.623 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1COCC1(C)C ZINC000894141438 618389683 /nfs/dbraw/zinc/38/96/83/618389683.db2.gz SLCKFPCZMKMINJ-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP COC1(C[NH2+]CC2CC[NH+](C)CC2)CCC(C)CC1 ZINC000894158594 618404470 /nfs/dbraw/zinc/40/44/70/618404470.db2.gz HQAIKOZOWCYVNE-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000894159119 618405240 /nfs/dbraw/zinc/40/52/40/618405240.db2.gz YHUFPRAFFHANPS-UHFFFAOYSA-N 2 0 284.407 2.685 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C[C@H](C)O1 ZINC000925652724 618406026 /nfs/dbraw/zinc/40/60/26/618406026.db2.gz AEUXSRJPZPXMQY-UXDQUXDASA-N 2 0 294.483 2.948 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1C ZINC000925657340 618412756 /nfs/dbraw/zinc/41/27/56/618412756.db2.gz NLRRQGSRZHSNHJ-IAGOWNOFSA-N 2 0 288.435 2.932 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccnc2ccccc12 ZINC000926688453 618425481 /nfs/dbraw/zinc/42/54/81/618425481.db2.gz CSEUUFREPAVCPA-MCPYQZEQSA-N 2 0 295.430 2.707 20 0 CFADRP C[C@H]([NH3+])[C@H](NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000925662477 618425942 /nfs/dbraw/zinc/42/59/42/618425942.db2.gz IVBYHLIQXOWKTO-KUQKPQIMSA-N 2 0 287.451 2.681 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261778101 618426735 /nfs/dbraw/zinc/42/67/35/618426735.db2.gz FGYKVRIRRDDDNF-LSDHHAIUSA-N 2 0 298.434 2.565 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925674881 618445770 /nfs/dbraw/zinc/44/57/70/618445770.db2.gz DUVUJRRHBVWUNL-KKUMJFAQSA-N 2 0 269.477 2.602 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925675632 618447629 /nfs/dbraw/zinc/44/76/29/618447629.db2.gz XMMDJMRZWMOCGU-ZNMIVQPWSA-N 2 0 250.430 2.933 20 0 CFADRP COCCCC1(C[NH2+]CCN2CCC[C@H]2C)CCC1 ZINC000893356216 618464132 /nfs/dbraw/zinc/46/41/32/618464132.db2.gz KTTHECIEWQCSQI-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP COCCCC1(C[NH2+]CCN2CCC[C@@H]2C)CCC1 ZINC000893356215 618464361 /nfs/dbraw/zinc/46/43/61/618464361.db2.gz KTTHECIEWQCSQI-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925682554 618465232 /nfs/dbraw/zinc/46/52/32/618465232.db2.gz CLYKFRIGQBFWJO-OEAJRASXSA-N 2 0 250.430 2.790 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C12CCC2 ZINC000925683591 618467829 /nfs/dbraw/zinc/46/78/29/618467829.db2.gz SWORGECJQKEIGQ-ZIAGYGMSSA-N 2 0 298.789 2.717 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925683733 618467865 /nfs/dbraw/zinc/46/78/65/618467865.db2.gz VFXBJUGOXGASEG-QEOTZNIISA-N 2 0 294.483 2.804 20 0 CFADRP CC(C)(CNC(=[NH2+])Nc1ccccc1)[NH+]1CCCCC1 ZINC000066242138 618470567 /nfs/dbraw/zinc/47/05/67/618470567.db2.gz VMSCMMADHWYKKQ-UHFFFAOYSA-N 2 0 274.412 2.678 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])NC2CCCC2)C1 ZINC000066244611 618471322 /nfs/dbraw/zinc/47/13/22/618471322.db2.gz PNXSOIPNKKNFOU-OKILXGFUSA-N 2 0 294.487 2.799 20 0 CFADRP CC(C)C[C@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCC1 ZINC000066245094 618471465 /nfs/dbraw/zinc/47/14/65/618471465.db2.gz SIDDSLBJJNHAJX-OAHLLOKOSA-N 2 0 280.460 2.553 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000925685694 618479775 /nfs/dbraw/zinc/47/97/75/618479775.db2.gz MGYXEQOPZDBFIK-RSGRICGGSA-N 2 0 262.441 2.918 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1O ZINC000895294658 618514096 /nfs/dbraw/zinc/51/40/96/618514096.db2.gz ZHCAEZPXECXUOC-UONOGXRCSA-N 2 0 294.439 2.652 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21)[NH+](C)C ZINC000895296473 618518305 /nfs/dbraw/zinc/51/83/05/618518305.db2.gz LXHXLHBZDVUXDM-UONOGXRCSA-N 2 0 288.439 2.814 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)CC1 ZINC000895369857 618553375 /nfs/dbraw/zinc/55/33/75/618553375.db2.gz DOANCAMNMQAQJU-JCNLHEQBSA-N 2 0 274.408 2.528 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000895392447 618563251 /nfs/dbraw/zinc/56/32/51/618563251.db2.gz PZIYSWGTYHQSEZ-OAHLLOKOSA-N 2 0 287.451 2.866 20 0 CFADRP Cc1ccc(CC2C[NH+](CC3CC[NH+](C)CC3)C2)cc1 ZINC000895395159 618566344 /nfs/dbraw/zinc/56/63/44/618566344.db2.gz XRLKMHDIBONAFX-UHFFFAOYSA-N 2 0 272.436 2.811 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000895406828 618570534 /nfs/dbraw/zinc/57/05/34/618570534.db2.gz XQUSORKJMBPKDY-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000895421649 618582011 /nfs/dbraw/zinc/58/20/11/618582011.db2.gz RFSFMSIEFLOKNO-XJKSGUPXSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]([NH2+]CC1CSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895422196 618582887 /nfs/dbraw/zinc/58/28/87/618582887.db2.gz VJSKVSVAUWOWBX-PBHICJAKSA-N 2 0 290.476 2.850 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000926736643 618618680 /nfs/dbraw/zinc/61/86/80/618618680.db2.gz ALINGZIOSGXZGX-FGTMMUONSA-N 2 0 294.483 2.759 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892592205 618646714 /nfs/dbraw/zinc/64/67/14/618646714.db2.gz OMIGBOBDGBZCQM-NUWOQIAWSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNCc2c(C)nn(C(C)C)c2C)C1 ZINC000892669104 618687971 /nfs/dbraw/zinc/68/79/71/618687971.db2.gz VMOFLRRSZQASOA-MRXNPFEDSA-N 2 0 292.471 2.902 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC000178245627 618706253 /nfs/dbraw/zinc/70/62/53/618706253.db2.gz IRRRVJZIDPTJIM-SFHVURJKSA-N 2 0 290.451 2.747 20 0 CFADRP COC1CCC(C[NH2+]C[C@H](C)N2CCC(C)CC2)CC1 ZINC000892739513 618737676 /nfs/dbraw/zinc/73/76/76/618737676.db2.gz HSDVHUALGLDRTM-GTPINHCMSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccccc2Cl)CC1 ZINC000892748099 618739303 /nfs/dbraw/zinc/73/93/03/618739303.db2.gz GAXAEULRKZIYJI-UHFFFAOYSA-N 2 0 266.816 2.814 20 0 CFADRP CCCSC[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000892799712 618748781 /nfs/dbraw/zinc/74/87/81/618748781.db2.gz BSJKMYRSHHEFKR-AWEZNQCLSA-N 2 0 288.501 2.609 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000892938999 618774137 /nfs/dbraw/zinc/77/41/37/618774137.db2.gz KVEKLTXDIWRMIP-UHFFFAOYSA-N 2 0 282.378 2.829 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000892946873 618778553 /nfs/dbraw/zinc/77/85/53/618778553.db2.gz RFLQJZVFRPYUSR-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC(C)(C)[C@H]2CCCCO2)CC1 ZINC000893110382 618834890 /nfs/dbraw/zinc/83/48/90/618834890.db2.gz LDUPMLPNTWWJFC-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@H](C[NH+](C)C)C3)c2c1 ZINC000893118361 618837406 /nfs/dbraw/zinc/83/74/06/618837406.db2.gz CXJJCDRDDOVGSN-CYBMUJFWSA-N 2 0 285.391 2.631 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)Cc1cccs1 ZINC000925514331 618852837 /nfs/dbraw/zinc/85/28/37/618852837.db2.gz DJARZYUQVACEPX-WCQYABFASA-N 2 0 252.427 2.657 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)C12CCC2 ZINC000925511069 618849175 /nfs/dbraw/zinc/84/91/75/618849175.db2.gz FOBZHIWPVXZCHR-WCXIOVBPSA-N 2 0 286.419 2.766 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925513241 618852752 /nfs/dbraw/zinc/85/27/52/618852752.db2.gz HUDCJEQYWWTWNC-HZPDHXFCSA-N 2 0 279.472 2.515 20 0 CFADRP CO[C@@H](CN[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925514906 618853593 /nfs/dbraw/zinc/85/35/93/618853593.db2.gz GXYUOABHYWZHBR-GJZGRUSLSA-N 2 0 294.826 2.902 20 0 CFADRP COc1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925515534 618854520 /nfs/dbraw/zinc/85/45/20/618854520.db2.gz UIAAQVPNGRKITQ-KBPBESRZSA-N 2 0 292.423 2.570 20 0 CFADRP C[C@@H](OCCC[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925520724 618858904 /nfs/dbraw/zinc/85/89/04/618858904.db2.gz SLKKWKRDCMPKKL-GDBMZVCRSA-N 2 0 276.424 2.884 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925520897 618859479 /nfs/dbraw/zinc/85/94/79/618859479.db2.gz AUDOFFRTJLKXQD-XGFWRYKXSA-N 2 0 268.470 2.637 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925520898 618859518 /nfs/dbraw/zinc/85/95/18/618859518.db2.gz AUDOFFRTJLKXQD-ZSLBOAEBSA-N 2 0 268.470 2.637 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1 ZINC000925525342 618868802 /nfs/dbraw/zinc/86/88/02/618868802.db2.gz BUOSHQMDWRAGIZ-IAGOWNOFSA-N 2 0 294.483 2.951 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000925525853 618870655 /nfs/dbraw/zinc/87/06/55/618870655.db2.gz JQDXMMZUKGYPRK-NVXWUHKLSA-N 2 0 275.440 2.541 20 0 CFADRP CSC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925526864 618873141 /nfs/dbraw/zinc/87/31/41/618873141.db2.gz KOGVWDYAIXIUKP-KGLIPLIRSA-N 2 0 270.486 2.886 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC[NH+](C3CCCC3)CC1)[NH2+]2 ZINC000925534838 618888978 /nfs/dbraw/zinc/88/89/78/618888978.db2.gz QCGVIBNAKPJSQY-AETAKHFUSA-N 2 0 291.483 2.512 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1(C)C ZINC000925539581 618897304 /nfs/dbraw/zinc/89/73/04/618897304.db2.gz CIIFXWUGJGPECW-XUWVNRHRSA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccccc1 ZINC000925539650 618897566 /nfs/dbraw/zinc/89/75/66/618897566.db2.gz CIZKUCZVQZATFF-LSDHHAIUSA-N 2 0 296.505 2.905 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925540487 618899502 /nfs/dbraw/zinc/89/95/02/618899502.db2.gz GXWUDDCDLMSXTA-ZIAGYGMSSA-N 2 0 279.428 2.720 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C12CCC2 ZINC000925544225 618904535 /nfs/dbraw/zinc/90/45/35/618904535.db2.gz YUDPBNSZTRHVAJ-NUEKZKHPSA-N 2 0 272.392 2.760 20 0 CFADRP C[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000925547158 618907616 /nfs/dbraw/zinc/90/76/16/618907616.db2.gz SXXNWHVIIUWYOH-BPKGMFCQSA-N 2 0 293.499 2.616 20 0 CFADRP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C2 ZINC000893264421 618915176 /nfs/dbraw/zinc/91/51/76/618915176.db2.gz CYVFMLOSCVOWTL-TZOQOTQKSA-N 2 0 299.462 2.647 20 0 CFADRP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893267807 618917854 /nfs/dbraw/zinc/91/78/54/618917854.db2.gz NYZXMBTZGOVFMY-CXAGYDPISA-N 2 0 294.414 2.569 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)[C@@H](C)O1 ZINC000925694167 618940872 /nfs/dbraw/zinc/94/08/72/618940872.db2.gz FDNRLUUBLSCQKF-MUIFIZLQSA-N 2 0 276.424 2.870 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931316840 618941502 /nfs/dbraw/zinc/94/15/02/618941502.db2.gz KVCBGZCEAODHOP-AEGPPILISA-N 2 0 274.399 2.941 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925696245 618948294 /nfs/dbraw/zinc/94/82/94/618948294.db2.gz YMTCWJBBVQBZDX-XKQJLSEDSA-N 2 0 275.440 2.540 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697325 618950840 /nfs/dbraw/zinc/95/08/40/618950840.db2.gz DMSYQLHSPHNROF-VBNZEHGJSA-N 3 0 275.440 2.702 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000925699988 618952443 /nfs/dbraw/zinc/95/24/43/618952443.db2.gz QVCONONUJZQOLY-YJBOKZPZSA-N 2 0 289.467 2.977 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000925699473 618952461 /nfs/dbraw/zinc/95/24/61/618952461.db2.gz PBYKPLQHQCRNMD-HOCLYGCPSA-N 2 0 281.488 2.794 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1(F)F ZINC000925705422 618959868 /nfs/dbraw/zinc/95/98/68/618959868.db2.gz BTBPKRUGFNNFLS-MELADBBJSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925706086 618960466 /nfs/dbraw/zinc/96/04/66/618960466.db2.gz FDRSALXYIAOIRL-BPNCWPANSA-N 2 0 296.361 2.592 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925706094 618960627 /nfs/dbraw/zinc/96/06/27/618960627.db2.gz FDRSALXYIAOIRL-HONMWMINSA-N 2 0 296.361 2.592 20 0 CFADRP CC1CCC(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000678258860 618961198 /nfs/dbraw/zinc/96/11/98/618961198.db2.gz PWSWFMVNOZNWHS-DAWZGUTISA-N 2 0 293.499 2.525 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253854 618967196 /nfs/dbraw/zinc/96/71/96/618967196.db2.gz TZBXVNYQPVJWNH-GMTAPVOTSA-N 2 0 265.228 2.820 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ncc[nH]1 ZINC000925713919 618968473 /nfs/dbraw/zinc/96/84/73/618968473.db2.gz ZHKPKNKSKIKMIZ-TZMCWYRMSA-N 2 0 258.369 2.541 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CCCCC1 ZINC000925714219 618969800 /nfs/dbraw/zinc/96/98/00/618969800.db2.gz XDEMVEGVPFOQJY-IAGOWNOFSA-N 2 0 293.499 2.891 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[C@H]([NH3+])C12CCC2)C1CCCCC1 ZINC000925714220 618969906 /nfs/dbraw/zinc/96/99/06/618969906.db2.gz XDEMVEGVPFOQJY-IRXDYDNUSA-N 2 0 293.499 2.891 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccccc1 ZINC000925720786 618978347 /nfs/dbraw/zinc/97/83/47/618978347.db2.gz JFNUKNIAFWGWFR-WBVHZDCISA-N 2 0 276.424 2.873 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc3cccnc3c2)C12CCC2 ZINC000925725740 619006148 /nfs/dbraw/zinc/00/61/48/619006148.db2.gz NJAIFYUIZDLOBD-JKSUJKDBSA-N 2 0 267.376 2.594 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2ncccc12 ZINC000925729102 619021667 /nfs/dbraw/zinc/02/16/67/619021667.db2.gz IFDPRROHJCDHIJ-GYABFAJESA-N 2 0 281.403 2.840 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925730095 619031312 /nfs/dbraw/zinc/03/13/12/619031312.db2.gz NBWZABVUFWBDNZ-IAGOWNOFSA-N 2 0 291.414 2.666 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C12CCCCC2 ZINC000925741771 619051506 /nfs/dbraw/zinc/05/15/06/619051506.db2.gz MSZKCBQBMCLZAH-ZIAGYGMSSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000893572523 619076086 /nfs/dbraw/zinc/07/60/86/619076086.db2.gz RPXIPPJURBZQOQ-PBHICJAKSA-N 2 0 273.424 2.806 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000925771804 619085482 /nfs/dbraw/zinc/08/54/82/619085482.db2.gz DCVACWVZCVTKMH-OWCLPIDISA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925775247 619093785 /nfs/dbraw/zinc/09/37/85/619093785.db2.gz PCMKXNXMOLNIFX-XIRDDKMYSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)c2ccccc21 ZINC000925774925 619093857 /nfs/dbraw/zinc/09/38/57/619093857.db2.gz YADUSJCABDCIRQ-VQHPVUNQSA-N 2 0 272.392 2.823 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094371349 619106709 /nfs/dbraw/zinc/10/67/09/619106709.db2.gz HFFPNXGXVCVASF-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925786375 619111951 /nfs/dbraw/zinc/11/19/51/619111951.db2.gz RTXBNZAQLURRAX-QKPAOTATSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000925791150 619116359 /nfs/dbraw/zinc/11/63/59/619116359.db2.gz OCNDSCWZGZQYOJ-MBNYWOFBSA-N 2 0 262.397 2.738 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000925796145 619118663 /nfs/dbraw/zinc/11/86/63/619118663.db2.gz AGNXBGFRFLMXQU-XHBSWPGZSA-N 2 0 262.372 2.648 20 0 CFADRP CSCC1CCC([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000925803211 619123669 /nfs/dbraw/zinc/12/36/69/619123669.db2.gz NWESKNOOUNBXKZ-FEWQNLEASA-N 2 0 270.486 2.743 20 0 CFADRP CC[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000925806006 619126383 /nfs/dbraw/zinc/12/63/83/619126383.db2.gz ANVNQDVWHGAPSU-SJORKVTESA-N 2 0 282.472 2.951 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000925808017 619127543 /nfs/dbraw/zinc/12/75/43/619127543.db2.gz MITDFFJZVBMJLH-DOTOQJQBSA-N 3 0 281.488 2.667 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1nccn1C ZINC000925808763 619127769 /nfs/dbraw/zinc/12/77/69/619127769.db2.gz PBAYNEJABDXKOV-AWEZNQCLSA-N 2 0 278.444 2.631 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000925810372 619129068 /nfs/dbraw/zinc/12/90/68/619129068.db2.gz ZWZPNLQMYIKNLL-RDJZCZTQSA-N 3 0 281.488 2.524 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925810366 619129107 /nfs/dbraw/zinc/12/91/07/619129107.db2.gz ZQVQIXNCSZHUBL-SJORKVTESA-N 3 0 281.488 2.796 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2nccn2C1)c1cccc(C[NH+](C)C)c1 ZINC000925811133 619129367 /nfs/dbraw/zinc/12/93/67/619129367.db2.gz CKJVTYZVJJKVSN-PBHICJAKSA-N 2 0 298.434 2.610 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccsc1 ZINC000925813616 619132248 /nfs/dbraw/zinc/13/22/48/619132248.db2.gz XRPOZQKIUQKSMF-OAHLLOKOSA-N 2 0 281.469 2.602 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(F)c1 ZINC000925815950 619134840 /nfs/dbraw/zinc/13/48/40/619134840.db2.gz UXJAHVMOJRWBFK-NSHDSACASA-N 2 0 299.821 2.553 20 0 CFADRP CC(C)C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccs1 ZINC000925816188 619135429 /nfs/dbraw/zinc/13/54/29/619135429.db2.gz WJKUKLUIOHYLGA-HNNXBMFYSA-N 2 0 295.496 2.848 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000925818934 619137609 /nfs/dbraw/zinc/13/76/09/619137609.db2.gz WIZOQGKQUGIMEH-WMZOPIPTSA-N 3 0 295.515 2.866 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925821236 619141429 /nfs/dbraw/zinc/14/14/29/619141429.db2.gz FXDZAXMTRZVZQS-JEFOHARNSA-N 2 0 258.409 2.579 20 0 CFADRP C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000925822872 619143713 /nfs/dbraw/zinc/14/37/13/619143713.db2.gz ORRXJODYZPSJPO-NOLJZWGESA-N 2 0 259.397 2.510 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000893654245 619146282 /nfs/dbraw/zinc/14/62/82/619146282.db2.gz UVFHYHIJPQEECL-CRAIPNDOSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000925827598 619157868 /nfs/dbraw/zinc/15/78/68/619157868.db2.gz AIIVDZXDQWOWAH-QNWHQSFQSA-N 2 0 294.361 2.607 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925836173 619167601 /nfs/dbraw/zinc/16/76/01/619167601.db2.gz XKEZWRDTJVNDCY-YOEHRIQHSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925836168 619167890 /nfs/dbraw/zinc/16/78/90/619167890.db2.gz XKEZWRDTJVNDCY-PBHICJAKSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@H]1[NH2+]CCC[C@@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925837997 619169264 /nfs/dbraw/zinc/16/92/64/619169264.db2.gz JYRNJFGPAFILHT-REBRKWNGSA-N 2 0 280.362 2.765 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000925838445 619171362 /nfs/dbraw/zinc/17/13/62/619171362.db2.gz MAECPUNDJRSBSB-LXTVHRRPSA-N 2 0 280.362 2.895 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846923 619179165 /nfs/dbraw/zinc/17/91/65/619179165.db2.gz PWFLZAZANOQNSG-DLBZAZTESA-N 2 0 299.478 2.570 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925854957 619184969 /nfs/dbraw/zinc/18/49/69/619184969.db2.gz BQOIFARJKMBOEX-AVGNSLFASA-N 2 0 254.443 2.522 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861687 619187584 /nfs/dbraw/zinc/18/75/84/619187584.db2.gz RUFOVVOQAKYLQP-RDBSUJKOSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCC(C)([NH+]3CCC3)CC1)[NH2+]2 ZINC000925862027 619188434 /nfs/dbraw/zinc/18/84/34/619188434.db2.gz VZRKCSVCNUBIAL-AFJGTSJTSA-N 3 0 291.483 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000925862329 619188475 /nfs/dbraw/zinc/18/84/75/619188475.db2.gz ZTYJHKOBELSBEX-JHJVBQTASA-N 2 0 254.443 2.535 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925862280 619188550 /nfs/dbraw/zinc/18/85/50/619188550.db2.gz ZMUMFRMADHEMJO-XQQFMLRXSA-N 2 0 254.443 2.535 20 0 CFADRP COC[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)N)C(C)C ZINC000925873582 619194949 /nfs/dbraw/zinc/19/49/49/619194949.db2.gz JSZRWJXGUYBKCV-BPUTZDHNSA-N 2 0 264.413 2.583 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877336 619197463 /nfs/dbraw/zinc/19/74/63/619197463.db2.gz OWYFNQXXZHWFTE-MCIONIFRSA-N 2 0 262.397 2.782 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000925879447 619199753 /nfs/dbraw/zinc/19/97/53/619199753.db2.gz DTTBIXGTJHGALK-FSOQPWQOSA-N 2 0 280.456 2.974 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925881509 619202123 /nfs/dbraw/zinc/20/21/23/619202123.db2.gz CDRGUTMBDXFSPM-CBBWQLFWSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000925881681 619202423 /nfs/dbraw/zinc/20/24/23/619202423.db2.gz DMQQTRSGBYJAKQ-RRFJBIMHSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccnc1 ZINC000925887282 619204584 /nfs/dbraw/zinc/20/45/84/619204584.db2.gz XJHHBTBDFPFPSM-JCGIZDLHSA-N 2 0 281.403 2.791 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925888360 619205452 /nfs/dbraw/zinc/20/54/52/619205452.db2.gz BNVSCPHSOMPKEI-NEPJUHHUSA-N 2 0 265.401 2.541 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000261821197 619282973 /nfs/dbraw/zinc/28/29/73/619282973.db2.gz IIOWOHJQFCPTCM-LLVKDONJSA-N 2 0 272.314 2.794 20 0 CFADRP C[C@H]1CC(CC[NH2+]CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000894275046 619302155 /nfs/dbraw/zinc/30/21/55/619302155.db2.gz OEHOTMKPDAQSIW-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ncoc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000894319707 619331767 /nfs/dbraw/zinc/33/17/67/619331767.db2.gz DZVQIGVXWFTINJ-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000894319489 619331793 /nfs/dbraw/zinc/33/17/93/619331793.db2.gz AQFXCYFSLOEVAK-UYSNPLJNSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000894328817 619335763 /nfs/dbraw/zinc/33/57/63/619335763.db2.gz NLNYPOBROYVSJO-INIZCTEOSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000262012447 619370998 /nfs/dbraw/zinc/37/09/98/619370998.db2.gz VFTIXUOLRFDEBX-WMLDXEAASA-N 2 0 298.434 2.565 20 0 CFADRP CCC[N@H+](CCN1CCCCC1)CC1CC[NH+](C)CC1 ZINC000894417388 619378561 /nfs/dbraw/zinc/37/85/61/619378561.db2.gz LWWPHOOYHPFSMS-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CCCN(CCC[NH+](C)C)C[C@@H]1C[C@@]1(C)Br ZINC000894480746 619396927 /nfs/dbraw/zinc/39/69/27/619396927.db2.gz JTGDXNPBYYOZHI-QWHCGFSZSA-N 2 0 291.277 2.824 20 0 CFADRP CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000894497304 619400457 /nfs/dbraw/zinc/40/04/57/619400457.db2.gz WTLICUFKYBMTDX-ZFWWWQNUSA-N 2 0 278.396 2.594 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2nccc3c2CCCC3)C1 ZINC000894497272 619400633 /nfs/dbraw/zinc/40/06/33/619400633.db2.gz WNCHMGFDNJNLIM-QFBILLFUSA-N 2 0 299.462 2.877 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000894496399 619403272 /nfs/dbraw/zinc/40/32/72/619403272.db2.gz PSWGTXZSRVSDBA-SJLPKXTDSA-N 2 0 288.435 2.920 20 0 CFADRP CCCSC[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000894544696 619414564 /nfs/dbraw/zinc/41/45/64/619414564.db2.gz JTJKHZOKKOYXGM-ZDUSSCGKSA-N 2 0 290.542 2.935 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000894591419 619423079 /nfs/dbraw/zinc/42/30/79/619423079.db2.gz DWGUHQWYUWPXLI-WBMJQRKESA-N 2 0 294.464 2.682 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+]CC3CC[NH+](C)CC3)C2)c1 ZINC000894751425 619457372 /nfs/dbraw/zinc/45/73/72/619457372.db2.gz OGZFZXQLRFOLPN-QAQDUYKDSA-N 2 0 288.435 2.873 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000925091633 619497399 /nfs/dbraw/zinc/49/73/99/619497399.db2.gz ZLUUKAGVCWHBBY-INIZCTEOSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cnc1F ZINC000895472057 619540118 /nfs/dbraw/zinc/54/01/18/619540118.db2.gz FLMFJKVGEAPFNB-UHFFFAOYSA-N 2 0 291.414 2.741 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](C)COC)CC1 ZINC000895554121 619554050 /nfs/dbraw/zinc/55/40/50/619554050.db2.gz RCXPUAKCLTURCK-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895743193 619594476 /nfs/dbraw/zinc/59/44/76/619594476.db2.gz VHHNXACWWUATPY-GOOCMWNKSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nccn2C2CC2)CC1 ZINC000895765699 619602696 /nfs/dbraw/zinc/60/26/96/619602696.db2.gz QNFBVTDRRLFQHH-UHFFFAOYSA-N 2 0 290.455 2.818 20 0 CFADRP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895785103 619606165 /nfs/dbraw/zinc/60/61/65/619606165.db2.gz QMVCUSHUPTWFHZ-BODMPHMZSA-N 2 0 285.435 2.932 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC(CC)([NH+]2CCC2)CC1)OC ZINC000895823156 619615353 /nfs/dbraw/zinc/61/53/53/619615353.db2.gz UOVLGQNTUFHMGO-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1Cc2cc(CN3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)ccc2O1 ZINC000895843295 619617750 /nfs/dbraw/zinc/61/77/50/619617750.db2.gz OXVFNVATSJIIGH-KMFMINBZSA-N 2 0 286.419 2.536 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](O)c1ccccc1 ZINC000895948837 619640104 /nfs/dbraw/zinc/64/01/04/619640104.db2.gz RXQHZDZORIITLR-OOHRUWKFSA-N 2 0 288.435 2.713 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC000895998816 619650764 /nfs/dbraw/zinc/65/07/64/619650764.db2.gz AGVBYJJZAPNILI-ZDUSSCGKSA-N 2 0 260.372 2.743 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000896031520 619657186 /nfs/dbraw/zinc/65/71/86/619657186.db2.gz RMXDTBDNHWGXPB-IRXDYDNUSA-N 2 0 276.399 2.943 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1C ZINC000896802900 619822921 /nfs/dbraw/zinc/82/29/21/619822921.db2.gz FTOQFONZZXSGPC-AWEZNQCLSA-N 2 0 276.424 2.996 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@H]1CCOC1 ZINC000925145635 619970105 /nfs/dbraw/zinc/97/01/05/619970105.db2.gz BSTDHRYMONPZPY-VBQJREDUSA-N 2 0 276.424 2.824 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000925157696 619995490 /nfs/dbraw/zinc/99/54/90/619995490.db2.gz SWSVZJXYSXNBTG-OAHLLOKOSA-N 2 0 275.440 2.724 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@H](C)C1 ZINC000925168756 620002297 /nfs/dbraw/zinc/00/22/97/620002297.db2.gz HPMPCECFYJIEQY-HCEZTOJASA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925216069 620027418 /nfs/dbraw/zinc/02/74/18/620027418.db2.gz HJWUCNVYFKSPOW-HALDLXJZSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000925220945 620034090 /nfs/dbraw/zinc/03/40/90/620034090.db2.gz KSWXYYBTJOXZHY-TWMKSMIVSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]1C[N@H+](CCCCCCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872154713 620091868 /nfs/dbraw/zinc/09/18/68/620091868.db2.gz WWMXVFMHSDXSKZ-STQMWFEESA-N 2 0 296.377 2.937 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)OC1 ZINC000897476763 620182637 /nfs/dbraw/zinc/18/26/37/620182637.db2.gz XBHVYOKCAQZWGM-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C(C)(C)[C@H]2CCCCO2)CC1(C)C ZINC000865744549 620257716 /nfs/dbraw/zinc/25/77/16/620257716.db2.gz ZFIMIDTVEKVAOR-UONOGXRCSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1C[C@@H]2CN(CCc3cccc(Cl)c3)C[C@]2(C)C1 ZINC000897620097 620261558 /nfs/dbraw/zinc/26/15/58/620261558.db2.gz HEFIRTWEURLOFY-ZBFHGGJFSA-N 2 0 278.827 2.766 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC(C)(C)C2)[C@@H](C)C1 ZINC000897795023 620286238 /nfs/dbraw/zinc/28/62/38/620286238.db2.gz LUBNKYLONCOTRS-IHRRRGAJSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H](Cc1cccnc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000897966362 620313930 /nfs/dbraw/zinc/31/39/30/620313930.db2.gz BMWBZBUOFSKQAL-OAHLLOKOSA-N 2 0 296.418 2.666 20 0 CFADRP OCCC1CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000898011340 620316785 /nfs/dbraw/zinc/31/67/85/620316785.db2.gz PIFALYJNFZLJGR-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CC1(C)CCC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)O1 ZINC000898046889 620320757 /nfs/dbraw/zinc/32/07/57/620320757.db2.gz NUSXFHCDIQXYSJ-HNNXBMFYSA-N 2 0 266.429 2.551 20 0 CFADRP O[C@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000898204616 620345054 /nfs/dbraw/zinc/34/50/54/620345054.db2.gz XVCSCTQEQVJEGI-QGZVFWFLSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000898375342 620377490 /nfs/dbraw/zinc/37/74/90/620377490.db2.gz DFVYFQSUVCAFMH-IRXDYDNUSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CC[NH3+])cc(C)c1OC(F)F ZINC000841052068 620421060 /nfs/dbraw/zinc/42/10/60/620421060.db2.gz VAMGERWGEZRHQZ-NSHDSACASA-N 2 0 272.339 2.732 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000924646720 620431792 /nfs/dbraw/zinc/43/17/92/620431792.db2.gz DYNSPJYUVUYPTA-GJYPPUQNSA-N 2 0 299.462 2.867 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1COC[C@@H]1C ZINC000924658240 620434886 /nfs/dbraw/zinc/43/48/86/620434886.db2.gz PBMWTLSZOWWYFC-WMLDXEAASA-N 2 0 276.424 2.651 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)CCCCCC[NH3+])CCO1 ZINC000873231766 620437106 /nfs/dbraw/zinc/43/71/06/620437106.db2.gz VEBLHNJZJIXYIU-HUUCEWRRSA-N 2 0 256.434 2.643 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCS[C@@H](C)C2)CC1 ZINC000927033488 620443872 /nfs/dbraw/zinc/44/38/72/620443872.db2.gz SVIBGEFFSFLIAB-GXTWGEPZSA-N 2 0 256.459 2.733 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000927037246 620445083 /nfs/dbraw/zinc/44/50/83/620445083.db2.gz MGKADIIXBKXNBA-VUROTCPHSA-N 2 0 278.440 2.551 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924708652 620448490 /nfs/dbraw/zinc/44/84/90/620448490.db2.gz YUUGUQQCDYJACH-NVXWUHKLSA-N 3 0 289.467 2.741 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713800 620451187 /nfs/dbraw/zinc/45/11/87/620451187.db2.gz TWWFULDRTWOMBH-DLBZAZTESA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000924715806 620451972 /nfs/dbraw/zinc/45/19/72/620451972.db2.gz MYMMIGYHUCFCEK-PVAVHDDUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC12CCCCC2)C[NH+]1CCCC1 ZINC000924715827 620451997 /nfs/dbraw/zinc/45/19/97/620451997.db2.gz NATRFZHLAAFLRN-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+](C)Cc1cc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)ccc1F ZINC000899321994 620543157 /nfs/dbraw/zinc/54/31/57/620543157.db2.gz AFWLKOWQYVZNSE-KRWDZBQOSA-N 2 0 284.378 2.980 20 0 CFADRP [NH3+][C@@H](CO)c1ccc(-c2ccccc2C[NH+]2CCCC2)cc1 ZINC000899323749 620543623 /nfs/dbraw/zinc/54/36/23/620543623.db2.gz HYPXGSMJTHETQV-IBGZPJMESA-N 2 0 296.414 2.942 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924754775 620547745 /nfs/dbraw/zinc/54/77/45/620547745.db2.gz VAOPGOAQFJOSNB-KRWDZBQOSA-N 2 0 295.515 2.818 20 0 CFADRP [NH3+]C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)C1CCCCCC1 ZINC000900010536 620622204 /nfs/dbraw/zinc/62/22/04/620622204.db2.gz SNUHSBJNCLCJKC-OLZOCXBDSA-N 2 0 278.400 2.507 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902078731 620969447 /nfs/dbraw/zinc/96/94/47/620969447.db2.gz NCYIYRADRDPUIG-HOTGVXAUSA-N 2 0 273.424 2.753 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000902064584 620972832 /nfs/dbraw/zinc/97/28/32/620972832.db2.gz VQWJAJVPMAREAX-CQSZACIVSA-N 2 0 273.424 2.611 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2NC)CC1 ZINC000902196572 620996003 /nfs/dbraw/zinc/99/60/03/620996003.db2.gz TYMWIOOAYBAYKS-UHFFFAOYSA-N 2 0 275.440 2.940 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902319461 621023545 /nfs/dbraw/zinc/02/35/45/621023545.db2.gz LRXSZQUTXBTBEN-JKSUJKDBSA-N 2 0 281.488 2.619 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902349026 621035250 /nfs/dbraw/zinc/03/52/50/621035250.db2.gz OUCNSQGUTHJBIX-HNNXBMFYSA-N 2 0 282.472 2.951 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)C1 ZINC000902326763 621037225 /nfs/dbraw/zinc/03/72/25/621037225.db2.gz DRWQCJKUFQRHEK-SJORKVTESA-N 2 0 290.451 2.520 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000902327125 621037324 /nfs/dbraw/zinc/03/73/24/621037324.db2.gz DUXSPIXYZSXFEW-KBPBESRZSA-N 2 0 295.496 2.719 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902328354 621038014 /nfs/dbraw/zinc/03/80/14/621038014.db2.gz HGKBPQYCWIATBJ-CJNGLKHVSA-N 2 0 276.424 2.608 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902336968 621041853 /nfs/dbraw/zinc/04/18/53/621041853.db2.gz HDJJUHFJMILDHW-CQSZACIVSA-N 2 0 279.428 2.592 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902368633 621043240 /nfs/dbraw/zinc/04/32/40/621043240.db2.gz GTQAGYCUQSODNN-HUUCEWRRSA-N 2 0 282.472 2.543 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)C1 ZINC000902371348 621044638 /nfs/dbraw/zinc/04/46/38/621044638.db2.gz OXGPYZCFHDNLOI-CVEARBPZSA-N 2 0 273.424 2.901 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902375222 621046611 /nfs/dbraw/zinc/04/66/11/621046611.db2.gz UJXFKWANBZQKLL-AAEUAGOBSA-N 2 0 281.469 2.923 20 0 CFADRP C[C@@](O)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902377530 621047084 /nfs/dbraw/zinc/04/70/84/621047084.db2.gz UIRWNVYSRRGAKU-NVXWUHKLSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](O)c1cccc(F)c1 ZINC000902363154 621053703 /nfs/dbraw/zinc/05/37/03/621053703.db2.gz VBNAMFNDROVNJC-VBNZEHGJSA-N 2 0 294.414 2.615 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)C1 ZINC000902405925 621054915 /nfs/dbraw/zinc/05/49/15/621054915.db2.gz LZYNFYHZWIEZRR-GJZGRUSLSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)CO1 ZINC000902392773 621063365 /nfs/dbraw/zinc/06/33/65/621063365.db2.gz LZSHBQWQEPYEMJ-AXAPSJFSSA-N 2 0 298.377 2.902 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000902397659 621065779 /nfs/dbraw/zinc/06/57/79/621065779.db2.gz OCEWBJJGQSIRCU-BBWFWOEESA-N 2 0 288.435 2.884 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000902398933 621066773 /nfs/dbraw/zinc/06/67/73/621066773.db2.gz MGYPDIMDQINLCV-CVEARBPZSA-N 2 0 293.499 2.761 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC000902402898 621068928 /nfs/dbraw/zinc/06/89/28/621068928.db2.gz PBYKFKYOQZAUCE-AJNGGQMLSA-N 2 0 250.430 2.790 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000902428906 621075945 /nfs/dbraw/zinc/07/59/45/621075945.db2.gz HWULLMMBCLLFKG-ZWNOBZJWSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)C1CCOCC1 ZINC000902429713 621076628 /nfs/dbraw/zinc/07/66/28/621076628.db2.gz FSHDGPGKHUPMIJ-ZDUSSCGKSA-N 2 0 256.434 2.546 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000902432137 621077525 /nfs/dbraw/zinc/07/75/25/621077525.db2.gz VLTQEFIRGMXTIZ-ZNMIVQPWSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902475995 621086850 /nfs/dbraw/zinc/08/68/50/621086850.db2.gz LITPDGPWRPYTKP-RXABAKJHSA-N 2 0 299.462 2.522 20 0 CFADRP [NH3+]CCC[C@@H](NC[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902477758 621087973 /nfs/dbraw/zinc/08/79/73/621087973.db2.gz RORMPQJUPXFFGD-DLBZAZTESA-N 2 0 275.440 2.588 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCS1 ZINC000902452148 621092531 /nfs/dbraw/zinc/09/25/31/621092531.db2.gz JHEXTHZBCMQRBC-JHJVBQTASA-N 2 0 256.459 2.768 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCSC(C)(C)C1)[NH2+]2 ZINC000902453815 621092991 /nfs/dbraw/zinc/09/29/91/621092991.db2.gz QXXBGICLVWMMLG-MBJXGIAVSA-N 2 0 268.470 2.779 20 0 CFADRP C[C@@H]([NH2+]CCC1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]1 ZINC000902454025 621093291 /nfs/dbraw/zinc/09/32/91/621093291.db2.gz DXBYKLOWZMGYPK-YPMHNXCESA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902461064 621096235 /nfs/dbraw/zinc/09/62/35/621096235.db2.gz LFUWTEZVFYZULI-UONOGXRCSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489980 621102335 /nfs/dbraw/zinc/10/23/35/621102335.db2.gz QLROZJZDDMMADP-YWDSYVAPSA-N 2 0 262.372 2.776 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000902501874 621106438 /nfs/dbraw/zinc/10/64/38/621106438.db2.gz CUQFVBGDIWGLKZ-KBPBESRZSA-N 2 0 278.444 2.851 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000902485248 621111075 /nfs/dbraw/zinc/11/10/75/621111075.db2.gz JWHPWFQRRPFBCZ-WBIUFABUSA-N 2 0 268.351 2.989 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000902485121 621111097 /nfs/dbraw/zinc/11/10/97/621111097.db2.gz HWEDRAISSIQJOO-IXPVHAAZSA-N 2 0 289.379 2.557 20 0 CFADRP Cc1cc([C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2cccnc2)ccc1F ZINC000902486122 621111487 /nfs/dbraw/zinc/11/14/87/621111487.db2.gz PUCBEGJKLQGMPH-OWQGQXMQSA-N 2 0 299.393 2.945 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000902486590 621112170 /nfs/dbraw/zinc/11/21/70/621112170.db2.gz QWOMDCKLIUHKFI-MGBSGCIJSA-N 2 0 292.398 2.620 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000902487794 621112638 /nfs/dbraw/zinc/11/26/38/621112638.db2.gz MIUYNVJRDMUAFA-MPESAESLSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489366 621113075 /nfs/dbraw/zinc/11/30/75/621113075.db2.gz PMVUDZZCLQOOBK-YDHLFZDLSA-N 2 0 260.381 2.536 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000902515743 621114983 /nfs/dbraw/zinc/11/49/83/621114983.db2.gz YWHIDUNVLSLHAC-OKZBNKHCSA-N 2 0 287.451 2.833 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521360 621116191 /nfs/dbraw/zinc/11/61/91/621116191.db2.gz RMRNDYXQSOQGFP-MOIQIXESSA-N 2 0 288.435 2.545 20 0 CFADRP Cl/C=C/C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902523069 621116848 /nfs/dbraw/zinc/11/68/48/621116848.db2.gz ZTTASPKMPHJDLN-UAXQYSOPSA-N 2 0 278.783 2.584 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000902526833 621117608 /nfs/dbraw/zinc/11/76/08/621117608.db2.gz AIFFCDFQYULBAY-CABCVRRESA-N 2 0 293.455 2.945 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902720670 621156757 /nfs/dbraw/zinc/15/67/57/621156757.db2.gz LXTFWNKOVNTHCQ-UXJCHEOYSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1COc2ccccc2C1 ZINC000902721471 621157198 /nfs/dbraw/zinc/15/71/98/621157198.db2.gz YAQRMAIEPXXZLA-GDBMZVCRSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170335 625468276 /nfs/dbraw/zinc/46/82/76/625468276.db2.gz JRYJHUZAMDHUAT-CYBMUJFWSA-N 2 0 276.424 2.830 20 0 CFADRP CC1(C)CC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC(C)(C)[NH2+]1 ZINC000902727787 621159427 /nfs/dbraw/zinc/15/94/27/621159427.db2.gz CJHIVSBWGTWELG-AALSBFMBSA-N 2 0 292.467 2.699 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902728061 621159437 /nfs/dbraw/zinc/15/94/37/621159437.db2.gz KBPCPAHVFCFSFW-NNPSNHGLSA-N 2 0 292.467 2.512 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)C1CCOCC1 ZINC000902897240 621202350 /nfs/dbraw/zinc/20/23/50/621202350.db2.gz QCDSPCKVPBROTR-QGZVFWFLSA-N 2 0 280.456 2.679 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCCC1 ZINC000902950376 621212564 /nfs/dbraw/zinc/21/25/64/621212564.db2.gz HRSZCPPCNXVKFD-OIGKAMSRSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(-n2ccnc2)c1 ZINC000903043043 621232889 /nfs/dbraw/zinc/23/28/89/621232889.db2.gz OBDBYUCCTRJSOG-RLFYNMQTSA-N 2 0 298.434 2.863 20 0 CFADRP CCCCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903056028 621235491 /nfs/dbraw/zinc/23/54/91/621235491.db2.gz PNYZIGYOHLUSNL-ZXFUBFMLSA-N 2 0 280.456 2.941 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000903057306 621236039 /nfs/dbraw/zinc/23/60/39/621236039.db2.gz BIHLTULTKUMXFG-ZWKOTPCHSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@H]1C ZINC000903067515 621239196 /nfs/dbraw/zinc/23/91/96/621239196.db2.gz UAWHZKYUIWCKGT-MUQADHOPSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000903067886 621240024 /nfs/dbraw/zinc/24/00/24/621240024.db2.gz XSRPHHTYLNAECH-XMTFNYHQSA-N 2 0 295.515 2.674 20 0 CFADRP COCCN1CCC([NH2+][C@@H]2[C@H](C)CC[C@H](C)[C@@H]2C)CC1 ZINC000903078977 621244902 /nfs/dbraw/zinc/24/49/02/621244902.db2.gz KTLYVMUDDRUUPS-QSJFSLAZSA-N 2 0 282.472 2.758 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2OC)c1 ZINC000903091403 621248720 /nfs/dbraw/zinc/24/87/20/621248720.db2.gz SYNVZTXPTLNERL-DLBZAZTESA-N 2 0 276.424 2.795 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000903098553 621252253 /nfs/dbraw/zinc/25/22/53/621252253.db2.gz QFWMZSJJJXEJAY-MGPQQGTHSA-N 2 0 256.434 2.510 20 0 CFADRP COC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903106247 621255466 /nfs/dbraw/zinc/25/54/66/621255466.db2.gz GHJAYZJRSXUHDA-XSYSFNKCSA-N 2 0 292.467 2.939 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903091832 621257237 /nfs/dbraw/zinc/25/72/37/621257237.db2.gz BGUXOIXQWXDVSX-NXCDMZCRSA-N 2 0 291.483 2.608 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000903097559 621259588 /nfs/dbraw/zinc/25/95/88/621259588.db2.gz UAYRUPBGNXKQGL-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCOCC1 ZINC000903112372 621259713 /nfs/dbraw/zinc/25/97/13/621259713.db2.gz OJZRIYMPHKRIIN-JATKITJMSA-N 2 0 278.440 2.549 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCOC3(CCC3)C1)C2 ZINC000903123512 621261189 /nfs/dbraw/zinc/26/11/89/621261189.db2.gz AQLNRUTZVIKPIP-ZBSSRIJBSA-N 2 0 290.451 2.836 20 0 CFADRP CC[C@@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903130835 621263285 /nfs/dbraw/zinc/26/32/85/621263285.db2.gz FFBVTTJVIUWEGT-YPRXJGMQSA-N 2 0 268.470 2.875 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCOC12CCCC2)[NH+]1CCCCC1 ZINC000903146895 621268528 /nfs/dbraw/zinc/26/85/28/621268528.db2.gz CATGDTPGVSRRSI-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCOC23CCCC3)CCCC1 ZINC000903154806 621269292 /nfs/dbraw/zinc/26/92/92/621269292.db2.gz WYMRSOKTOWNFGV-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCOC12CCCC2)C[NH+]1CCCC1 ZINC000903158896 621270249 /nfs/dbraw/zinc/27/02/49/621270249.db2.gz CORMGVKZGBNEPC-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc1 ZINC000903182265 621276789 /nfs/dbraw/zinc/27/67/89/621276789.db2.gz BLHJEABAJKJNQG-ZNXRZULTSA-N 2 0 285.435 2.680 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](c3ccccn3)C3CC3)ccc12 ZINC000903183843 621278144 /nfs/dbraw/zinc/27/81/44/621278144.db2.gz RJECQAJFGWBYHO-KRWDZBQOSA-N 2 0 278.359 2.970 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@@H](C)C1 ZINC000903168469 621279013 /nfs/dbraw/zinc/27/90/13/621279013.db2.gz KCEWDAGTAWERBM-RBZJEDDUSA-N 2 0 250.430 2.743 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903189752 621286058 /nfs/dbraw/zinc/28/60/58/621286058.db2.gz HVCTVDXYAZLFRV-IBWRZXHSSA-N 2 0 278.440 2.691 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)C1CC[NH+](C)CC1 ZINC000903246672 621305403 /nfs/dbraw/zinc/30/54/03/621305403.db2.gz QRONGMKTWYOQES-ZBFHGGJFSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@@H]2CCC[C@@H]21 ZINC000903350672 621342863 /nfs/dbraw/zinc/34/28/63/621342863.db2.gz DHVFLXHZNWYHSC-VGWMRTNUSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903385486 621356816 /nfs/dbraw/zinc/35/68/16/621356816.db2.gz XKPRIPADVDNZJF-HZPDHXFCSA-N 2 0 261.413 2.853 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903432598 621372783 /nfs/dbraw/zinc/37/27/83/621372783.db2.gz GAAFOWILWPYXTP-PVAVHDDUSA-N 2 0 288.435 2.558 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903432892 621373054 /nfs/dbraw/zinc/37/30/54/621373054.db2.gz PWBHKRHCQLZYPR-HYVNUMGLSA-N 2 0 288.435 2.558 20 0 CFADRP C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435768 621373701 /nfs/dbraw/zinc/37/37/01/621373701.db2.gz ZBEIAEXUNCEQJV-FSDCSDTHSA-N 2 0 274.408 2.576 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCc2ccccc2C1 ZINC000903438709 621375342 /nfs/dbraw/zinc/37/53/42/621375342.db2.gz ZSUSOKFRBBLGJF-XOKHGSTOSA-N 2 0 258.409 2.603 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000903437992 621375550 /nfs/dbraw/zinc/37/55/50/621375550.db2.gz PBBAMIJLDCOSRT-KBMXLJTQSA-N 2 0 276.399 2.546 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439109 621376232 /nfs/dbraw/zinc/37/62/32/621376232.db2.gz DLHJYXRLSASKHB-SRABZTEZSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](c2ccsc2)O1 ZINC000903440112 621376575 /nfs/dbraw/zinc/37/65/75/621376575.db2.gz TWNXNBJQFVIKMB-MYZSUADSSA-N 2 0 280.437 2.637 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440160 621377007 /nfs/dbraw/zinc/37/70/07/621377007.db2.gz VELLCTUAVWJZCT-JHNDHUHGSA-N 2 0 258.409 2.720 20 0 CFADRP Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903440418 621377023 /nfs/dbraw/zinc/37/70/23/621377023.db2.gz XBYDVORKGJUNTF-UAGQMJEPSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903440488 621377160 /nfs/dbraw/zinc/37/71/60/621377160.db2.gz ZUWYWMJJJZMOLT-XOUADPBQSA-N 2 0 276.399 2.859 20 0 CFADRP C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903440903 621377917 /nfs/dbraw/zinc/37/79/17/621377917.db2.gz VECDSBLTIBFIMM-MORSLUCNSA-N 2 0 288.435 2.824 20 0 CFADRP C[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)[C@H]1C[NH3+] ZINC000903424957 621379963 /nfs/dbraw/zinc/37/99/63/621379963.db2.gz NDOWKGIZMQASRU-WBMJQRKESA-N 2 0 257.381 2.727 20 0 CFADRP CCc1ccc2ccccc2c1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903458786 621380307 /nfs/dbraw/zinc/38/03/07/621380307.db2.gz JSDNIZULJVMFAW-QGZVFWFLSA-N 2 0 298.430 2.952 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)c1ccccc1 ZINC000903459701 621380462 /nfs/dbraw/zinc/38/04/62/621380462.db2.gz XNRDRLWAZRPQQU-ILXRZTDVSA-N 2 0 260.425 2.798 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903459807 621380564 /nfs/dbraw/zinc/38/05/64/621380564.db2.gz NSBQYDQXZJJHKB-KBUPBQIOSA-N 2 0 280.362 2.895 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000903459291 621380753 /nfs/dbraw/zinc/38/07/53/621380753.db2.gz STWRYAZTPFYTTI-MDZLAQPJSA-N 2 0 252.789 2.846 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903459206 621380762 /nfs/dbraw/zinc/38/07/62/621380762.db2.gz DUXCPKAFKYZTQI-UONOGXRCSA-N 2 0 290.398 2.640 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H]1CC[NH3+] ZINC000903461006 621381180 /nfs/dbraw/zinc/38/11/80/621381180.db2.gz LVEOFUVBLFFITB-RGDJUOJXSA-N 2 0 272.383 2.727 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000903461038 621381490 /nfs/dbraw/zinc/38/14/90/621381490.db2.gz NPTNABIRLZXUNH-OLZOCXBDSA-N 2 0 262.372 2.650 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903461665 621381583 /nfs/dbraw/zinc/38/15/83/621381583.db2.gz XJQPFMDLFUNMIW-NMFUWQPSSA-N 2 0 280.362 2.847 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000903444230 621383438 /nfs/dbraw/zinc/38/34/38/621383438.db2.gz QFAYXCGFBXMVOL-HFTRVMKXSA-N 2 0 287.451 2.745 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453793 621387486 /nfs/dbraw/zinc/38/74/86/621387486.db2.gz LOLUEXILDOZKOD-STQMWFEESA-N 2 0 260.372 2.743 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000903454016 621387568 /nfs/dbraw/zinc/38/75/68/621387568.db2.gz RJGYIEUKXVAVDP-ULQDDVLXSA-N 2 0 282.472 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000903455505 621388301 /nfs/dbraw/zinc/38/83/01/621388301.db2.gz XHMLSALBDOADHQ-HNNXBMFYSA-N 2 0 257.381 2.646 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000903481479 621391817 /nfs/dbraw/zinc/39/18/17/621391817.db2.gz CYNVQBZNCLTILT-YNEHKIRRSA-N 2 0 280.362 2.882 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903482355 621392428 /nfs/dbraw/zinc/39/24/28/621392428.db2.gz DNTFUXCVLJEMBQ-YIYPIFLZSA-N 2 0 280.362 2.751 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCOC2CC2)C1)C1CCCC1 ZINC000903482518 621392591 /nfs/dbraw/zinc/39/25/91/621392591.db2.gz KATISTXQPAVGHU-WMLDXEAASA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c(Cl)cncc2Cl)C[C@H]1CC[NH3+] ZINC000903499751 621394022 /nfs/dbraw/zinc/39/40/22/621394022.db2.gz ZLAJGOLDOFJJDJ-NXEZZACHSA-N 2 0 288.222 2.805 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1CC[NH3+] ZINC000903499644 621394216 /nfs/dbraw/zinc/39/42/16/621394216.db2.gz XOFGDGXCWQWSRA-JHJVBQTASA-N 2 0 260.372 2.729 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498671 621394264 /nfs/dbraw/zinc/39/42/64/621394264.db2.gz APLOUTJJUHXYMU-JHJVBQTASA-N 2 0 279.428 2.950 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1CC[NH3+] ZINC000903496378 621394865 /nfs/dbraw/zinc/39/48/65/621394865.db2.gz LOEYJXWSZQSEHD-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000903566083 621396818 /nfs/dbraw/zinc/39/68/18/621396818.db2.gz ZLVMQIFHVMIYIC-UKRRQHHQSA-N 2 0 272.392 2.632 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1CF ZINC000903717547 621424462 /nfs/dbraw/zinc/42/44/62/621424462.db2.gz RMFUTVIRQYAIBM-HNNXBMFYSA-N 2 0 252.377 2.961 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903717730 621424631 /nfs/dbraw/zinc/42/46/31/621424631.db2.gz UUHVHHMGPXFKFL-YNEHKIRRSA-N 2 0 296.377 2.792 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903722242 621426348 /nfs/dbraw/zinc/42/63/48/621426348.db2.gz JGNAMMOSELCGCL-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP Cc1cc([C@@H]2CCCN2C[C@H]2CCCC[NH2+]C2)on1 ZINC000903723634 621427080 /nfs/dbraw/zinc/42/70/80/621427080.db2.gz XHVXFBIWUPNIKY-KBPBESRZSA-N 2 0 263.385 2.510 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903724440 621427309 /nfs/dbraw/zinc/42/73/09/621427309.db2.gz NPZVGTJIMCMSMV-RYQLBKOJSA-N 2 0 288.435 2.756 20 0 CFADRP C(C1CC1)[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903725762 621428120 /nfs/dbraw/zinc/42/81/20/621428120.db2.gz GWTABGBHJJATBQ-QZTJIDSGSA-N 2 0 292.467 2.800 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1C ZINC000903725701 621428173 /nfs/dbraw/zinc/42/81/73/621428173.db2.gz FUDTUHJAKJLPOW-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP CC[C@@]1(C)CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728892 621428670 /nfs/dbraw/zinc/42/86/70/621428670.db2.gz GXPHPSOPWGXIGY-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730612 621429398 /nfs/dbraw/zinc/42/93/98/621429398.db2.gz XZUROCNJYXUCOE-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@H]1CCCC[NH2+]C1)C2 ZINC000903729479 621429419 /nfs/dbraw/zinc/42/94/19/621429419.db2.gz NHVPGNGMDNOGLU-HNNXBMFYSA-N 2 0 288.435 2.833 20 0 CFADRP CC(C)C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903729390 621429691 /nfs/dbraw/zinc/42/96/91/621429691.db2.gz MAYNBAJPUFWSOF-JKSUJKDBSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903729184 621429745 /nfs/dbraw/zinc/42/97/45/621429745.db2.gz KFZCSPPZAQEUKL-ZIAGYGMSSA-N 2 0 262.397 2.775 20 0 CFADRP c1ccc(C2([NH2+]C[C@@H]3CCCC[NH2+]C3)CCOCC2)cc1 ZINC000903732513 621430318 /nfs/dbraw/zinc/43/03/18/621430318.db2.gz FMJJVXDUAVVEHS-MRXNPFEDSA-N 2 0 288.435 2.672 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000903750114 621432552 /nfs/dbraw/zinc/43/25/52/621432552.db2.gz VCTRKBQXGSVYNC-HZPDHXFCSA-N 2 0 273.424 2.520 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)ccn1 ZINC000903751528 621433300 /nfs/dbraw/zinc/43/33/00/621433300.db2.gz GFHYJWXPBVLPQJ-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000903733739 621433631 /nfs/dbraw/zinc/43/36/31/621433631.db2.gz MUZQGWNLGCVMQL-QBPKDAKJSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733619 621433842 /nfs/dbraw/zinc/43/38/42/621433842.db2.gz LQUDLCHDRVLCAU-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)nc1 ZINC000903736151 621434508 /nfs/dbraw/zinc/43/45/08/621434508.db2.gz HCQKBALALVILGF-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000903763244 621436634 /nfs/dbraw/zinc/43/66/34/621436634.db2.gz JBBXYXSQDNDQBU-ZIAGYGMSSA-N 2 0 286.778 2.717 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000903767114 621437251 /nfs/dbraw/zinc/43/72/51/621437251.db2.gz UHVAWICGVAUJPW-GVDBMIGSSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000903769010 621437994 /nfs/dbraw/zinc/43/79/94/621437994.db2.gz XLABHDUEXUYFHH-KRWDZBQOSA-N 2 0 287.451 2.910 20 0 CFADRP c1coc(C2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903768670 621438047 /nfs/dbraw/zinc/43/80/47/621438047.db2.gz OTNPSDYTMMCDDT-CQSZACIVSA-N 2 0 262.397 2.849 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2CF)C[C@H]1C[NH3+] ZINC000903758779 621438493 /nfs/dbraw/zinc/43/84/93/621438493.db2.gz MJYHTEOBMSURMM-IUODEOHRSA-N 2 0 250.361 2.573 20 0 CFADRP C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)O1 ZINC000903792540 621439006 /nfs/dbraw/zinc/43/90/06/621439006.db2.gz DHTRABZAJVFRDV-RDJZCZTQSA-N 2 0 288.435 2.546 20 0 CFADRP C[C@H](c1ncccn1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793184 621439540 /nfs/dbraw/zinc/43/95/40/621439540.db2.gz PLFVMQQHGGGTMQ-OAHLLOKOSA-N 2 0 296.418 2.530 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)o1 ZINC000903793061 621439655 /nfs/dbraw/zinc/43/96/55/621439655.db2.gz LSLCPBVIKNXFBI-UHFFFAOYSA-N 2 0 299.418 2.784 20 0 CFADRP Fc1cccc(O[C@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C2)c1 ZINC000903777697 621440136 /nfs/dbraw/zinc/44/01/36/621440136.db2.gz CKUWPLYGLBZONI-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP [NH3+]C[C@H]1CN(Cc2ccccc2CF)C[C@H]1C(F)(F)F ZINC000903781089 621441135 /nfs/dbraw/zinc/44/11/35/621441135.db2.gz NPTPFLJPZZXIJK-QWHCGFSZSA-N 2 0 290.304 2.725 20 0 CFADRP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903784214 621441553 /nfs/dbraw/zinc/44/15/53/621441553.db2.gz LUYUMBSAWUQLOL-QGWWYQLQSA-N 2 0 298.430 2.689 20 0 CFADRP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903784213 621441587 /nfs/dbraw/zinc/44/15/87/621441587.db2.gz LUYUMBSAWUQLOL-LNMJFAINSA-N 2 0 298.430 2.689 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903784757 621441873 /nfs/dbraw/zinc/44/18/73/621441873.db2.gz RNJRRFLUQVRNDL-XJKSGUPXSA-N 2 0 273.424 2.911 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2CF)CC[C@H]1C[NH3+] ZINC000903789620 621442273 /nfs/dbraw/zinc/44/22/73/621442273.db2.gz YNBSOCQIRNHYCC-JSGCOSHPSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC[C@H]2CCCCO2)CCC1 ZINC000903811220 621447177 /nfs/dbraw/zinc/44/71/77/621447177.db2.gz JZZRDMFFXFIEPZ-HZPDHXFCSA-N 2 0 280.456 2.929 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@H]2CCCCO2)CCC1 ZINC000903812652 621447746 /nfs/dbraw/zinc/44/77/46/621447746.db2.gz VPHXKACEUWRAHR-HUUCEWRRSA-N 2 0 266.429 2.539 20 0 CFADRP C(C1CCC2(CC2)CC1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819503 621448152 /nfs/dbraw/zinc/44/81/52/621448152.db2.gz JDYYGGIUGKTOLZ-UHFFFAOYSA-N 2 0 292.467 2.801 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCSC[C@@H]2C)cc1 ZINC000903829152 621451521 /nfs/dbraw/zinc/45/15/21/621451521.db2.gz AVTROTFRYVDZGO-DZGCQCFKSA-N 2 0 294.464 2.565 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]C[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000903829934 621451730 /nfs/dbraw/zinc/45/17/30/621451730.db2.gz OGYKRRIQZFZZTC-ZFWWWQNUSA-N 2 0 261.413 2.676 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CC[NH2+]C1 ZINC000903832311 621452072 /nfs/dbraw/zinc/45/20/72/621452072.db2.gz PYVBNLVPFHBKAV-FFHGMXDLSA-N 2 0 254.393 2.589 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC[NH2+]CC1 ZINC000903832418 621452197 /nfs/dbraw/zinc/45/21/97/621452197.db2.gz RISVVSNZLJKZSJ-MQVJKMGUSA-N 2 0 268.420 2.979 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)nc1 ZINC000903833387 621452709 /nfs/dbraw/zinc/45/27/09/621452709.db2.gz VNIDMOQFRQMBDH-WMLDXEAASA-N 2 0 289.423 2.617 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(C(F)F)c1)C2 ZINC000903841491 621453265 /nfs/dbraw/zinc/45/32/65/621453265.db2.gz DZEXVXJDURHXIQ-UBHSHLNASA-N 2 0 266.335 2.936 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000903844726 621454964 /nfs/dbraw/zinc/45/49/64/621454964.db2.gz BSMIGEABYWZVRG-AVGNSLFASA-N 2 0 282.334 2.600 20 0 CFADRP CCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CCCCO1 ZINC000903892328 621463743 /nfs/dbraw/zinc/46/37/43/621463743.db2.gz QSJDRVTVAGHAJC-HMQMGEFJSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccccc1CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892974 621464957 /nfs/dbraw/zinc/46/49/57/621464957.db2.gz ZJOXHCPCQQFEAO-ZXFUBFMLSA-N 2 0 288.435 2.700 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000903898224 621467208 /nfs/dbraw/zinc/46/72/08/621467208.db2.gz MNOCLBIFBNVXBN-AQBKWJQSSA-N 2 0 280.481 2.877 20 0 CFADRP CC[NH2+]Cc1ccccc1NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918556 621472915 /nfs/dbraw/zinc/47/29/15/621472915.db2.gz BKFRPRXOCDZWMT-VHRNVKJDSA-N 2 0 273.424 2.739 20 0 CFADRP [NH3+][C@@H](CNCc1ccccc1OC1CCC1)CC(F)F ZINC000903922328 621473422 /nfs/dbraw/zinc/47/34/22/621473422.db2.gz VIUABNJUMWJWEX-GFCCVEGCSA-N 2 0 284.350 2.690 20 0 CFADRP CCc1noc(CC)c1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903923115 621474495 /nfs/dbraw/zinc/47/44/95/621474495.db2.gz LPSAWEKLTKMIDF-UHFFFAOYSA-N 2 0 299.418 2.735 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903929219 621475996 /nfs/dbraw/zinc/47/59/96/621475996.db2.gz CEHQWTCLLCRUTP-VHRNVKJDSA-N 2 0 287.451 2.999 20 0 CFADRP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@@H]1CC2CCC1CC2 ZINC000903932185 621476383 /nfs/dbraw/zinc/47/63/83/621476383.db2.gz NYTROCYAEREYLV-JSPGJAJPSA-N 2 0 260.372 2.773 20 0 CFADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903933416 621477228 /nfs/dbraw/zinc/47/72/28/621477228.db2.gz QYPDYBXSDRUXRW-LJQANCHMSA-N 2 0 293.414 2.692 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC(C)(C)[NH3+])C1 ZINC000903938832 621478154 /nfs/dbraw/zinc/47/81/54/621478154.db2.gz MORBCVPPRMSESE-GOEBONIOSA-N 2 0 275.440 2.539 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000903959731 621480295 /nfs/dbraw/zinc/48/02/95/621480295.db2.gz NBKFUJPAFPTMBI-GOSISDBHSA-N 2 0 298.434 2.539 20 0 CFADRP c1csc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903960207 621480482 /nfs/dbraw/zinc/48/04/82/621480482.db2.gz YXAIWTJPEPIOCN-CQSZACIVSA-N 2 0 250.411 2.714 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903947772 621485126 /nfs/dbraw/zinc/48/51/26/621485126.db2.gz HMKSPGCIUZLFRA-HUUCEWRRSA-N 2 0 298.471 2.532 20 0 CFADRP CCC1([NH3+])CCN([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000903948793 621486268 /nfs/dbraw/zinc/48/62/68/621486268.db2.gz UQTBCBTWNQVAOS-SJORKVTESA-N 2 0 287.451 2.683 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000903955799 621490105 /nfs/dbraw/zinc/49/01/05/621490105.db2.gz ZHNUWBVXNFCXFN-ZDUSSCGKSA-N 2 0 291.345 2.569 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000903956242 621490980 /nfs/dbraw/zinc/49/09/80/621490980.db2.gz JTKMQMQQWCIXPF-BFHYXJOUSA-N 2 0 272.383 2.790 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CNCC3(CCOCC3)C2)C1 ZINC000903971480 621491651 /nfs/dbraw/zinc/49/16/51/621491651.db2.gz BXMUZWZJOFELRE-BRWVUGGUSA-N 2 0 294.483 2.951 20 0 CFADRP CSc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903974300 621492360 /nfs/dbraw/zinc/49/23/60/621492360.db2.gz OEBAAFZGKVAZEK-TZMCWYRMSA-N 2 0 264.438 2.744 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973836 621492373 /nfs/dbraw/zinc/49/23/73/621492373.db2.gz GOXQWVFGNLQPCI-QAOXIVLQSA-N 2 0 274.408 2.544 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1CC[NH3+] ZINC000903977574 621493531 /nfs/dbraw/zinc/49/35/31/621493531.db2.gz VGCAMXIBRBXQSB-GDBMZVCRSA-N 2 0 298.434 2.504 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc2cnccc2c1 ZINC000903978969 621494323 /nfs/dbraw/zinc/49/43/23/621494323.db2.gz QNFQCOPJBZPUGN-CZUORRHYSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc2c1CCC2 ZINC000903979104 621494405 /nfs/dbraw/zinc/49/44/05/621494405.db2.gz VQVYGGPBDYBDFE-UKRRQHHQSA-N 2 0 258.409 2.511 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967678 621496302 /nfs/dbraw/zinc/49/63/02/621496302.db2.gz KKGHOUPFOJERRK-PVAVHDDUSA-N 2 0 260.425 2.843 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000903986392 621498924 /nfs/dbraw/zinc/49/89/24/621498924.db2.gz IYUJNAKHNLVBLZ-GTPINHCMSA-N 3 0 279.472 2.515 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986931 621498948 /nfs/dbraw/zinc/49/89/48/621498948.db2.gz TZMZMSYIOMZYFD-NALMEZQBSA-N 3 0 293.499 2.904 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904115795 621525903 /nfs/dbraw/zinc/52/59/03/621525903.db2.gz CHBZBZAWSBCFMR-UONOGXRCSA-N 2 0 297.362 2.759 20 0 CFADRP Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904304246 621569552 /nfs/dbraw/zinc/56/95/52/621569552.db2.gz WNLVJCQWUXHQEE-JKSUJKDBSA-N 2 0 261.413 2.552 20 0 CFADRP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308732 621570551 /nfs/dbraw/zinc/57/05/51/621570551.db2.gz VRTBZCSZAGOJMU-OTVXOJSOSA-N 2 0 250.361 2.773 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000904312806 621570948 /nfs/dbraw/zinc/57/09/48/621570948.db2.gz ULAFOXKWGOMNDJ-CVEARBPZSA-N 2 0 281.488 2.700 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000904311582 621570999 /nfs/dbraw/zinc/57/09/99/621570999.db2.gz FROUVHUQZQJBED-JMSVASOKSA-N 2 0 250.361 2.946 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C)c1cccc(OC)c1 ZINC000904313281 621571657 /nfs/dbraw/zinc/57/16/57/621571657.db2.gz XUPGWYZYMLTFCZ-NFAWXSAZSA-N 2 0 262.397 2.815 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1cccc(OC)c1 ZINC000904313279 621571747 /nfs/dbraw/zinc/57/17/47/621571747.db2.gz XUPGWYZYMLTFCZ-KCQAQPDRSA-N 2 0 262.397 2.815 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904316684 621572344 /nfs/dbraw/zinc/57/23/44/621572344.db2.gz PUZXQGSSUDMCNQ-FUHWJXTLSA-N 2 0 288.435 2.874 20 0 CFADRP CCC[N@H+](C[C@H]1CCCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904317603 621573076 /nfs/dbraw/zinc/57/30/76/621573076.db2.gz IIGWIADWUNMAEH-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CCCO[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904320422 621573499 /nfs/dbraw/zinc/57/34/99/621573499.db2.gz GTCQXXSNNIVTRS-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322595 621574302 /nfs/dbraw/zinc/57/43/02/621574302.db2.gz DZQFMMVOJDKSOH-AVRGHOLYSA-N 2 0 262.372 2.946 20 0 CFADRP CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904324475 621575352 /nfs/dbraw/zinc/57/53/52/621575352.db2.gz HLGGHNYCASFYNS-QZTJIDSGSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@]1(C[NH+]2CCC(C3CCOCC3)CC2)CCC[NH2+]C1 ZINC000904324523 621575408 /nfs/dbraw/zinc/57/54/08/621575408.db2.gz JLCKUTXHTYVGJX-KRWDZBQOSA-N 2 0 280.456 2.515 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904326019 621576415 /nfs/dbraw/zinc/57/64/15/621576415.db2.gz BWUMRLNZGQNWJH-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC000904329559 621577024 /nfs/dbraw/zinc/57/70/24/621577024.db2.gz PRAMMNIZZPZYSW-FZNQNYSPSA-N 2 0 292.398 2.544 20 0 CFADRP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)C1 ZINC000904332124 621577161 /nfs/dbraw/zinc/57/71/61/621577161.db2.gz NLTHUUCEDMUKDN-BZUAXINKSA-N 2 0 250.430 2.888 20 0 CFADRP C[NH+](C)[C@H]1CCCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904340174 621577939 /nfs/dbraw/zinc/57/79/39/621577939.db2.gz FTZSVPZGDRDXBP-CABCVRRESA-N 2 0 269.477 2.556 20 0 CFADRP C[NH+](C)[C@H]1CCCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904340175 621578173 /nfs/dbraw/zinc/57/81/73/621578173.db2.gz FTZSVPZGDRDXBP-GJZGRUSLSA-N 2 0 269.477 2.556 20 0 CFADRP C[NH+]1CCC2(CCCN(C[C@H]([NH3+])CCC(C)(C)C)C2)CC1 ZINC000904340106 621578365 /nfs/dbraw/zinc/57/83/65/621578365.db2.gz CSTHLLUDDAAWHW-MRXNPFEDSA-N 2 0 295.515 2.948 20 0 CFADRP COc1ccc2c(c1)C[C@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]2C ZINC000904345672 621579492 /nfs/dbraw/zinc/57/94/92/621579492.db2.gz ILHBYJPFJGOMBF-SFDCQRBFSA-N 2 0 274.408 2.740 20 0 CFADRP CC(C)c1cccc2c1CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904348727 621580557 /nfs/dbraw/zinc/58/05/57/621580557.db2.gz UGCYGNBKVAEMET-OTVXOJSOSA-N 2 0 258.409 2.905 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361145 621583168 /nfs/dbraw/zinc/58/31/68/621583168.db2.gz WLCSJSFBXQQWIP-FIXIBIHLSA-N 2 0 282.815 2.743 20 0 CFADRP C[C@]1(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000904360440 621583207 /nfs/dbraw/zinc/58/32/07/621583207.db2.gz KRVVXJYUWRWSIA-MOPGFXCFSA-N 2 0 298.430 2.853 20 0 CFADRP COc1ccc(CC[NH2+]C[C@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904362412 621583571 /nfs/dbraw/zinc/58/35/71/621583571.db2.gz MULGTNQGWRCUHU-OAHLLOKOSA-N 2 0 278.440 2.981 20 0 CFADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)[C@H]1CCCO1 ZINC000904362578 621583741 /nfs/dbraw/zinc/58/37/41/621583741.db2.gz OLWRTIUHDXGLJE-HZSPNIEDSA-N 2 0 256.434 2.687 20 0 CFADRP [NH3+][C@H]1C[C@@H](CN2CCO[C@H](c3c(F)cccc3Cl)C2)C1 ZINC000904373086 621584959 /nfs/dbraw/zinc/58/49/59/621584959.db2.gz AQJXGCOBRYULQL-WDMOLILDSA-N 2 0 298.789 2.590 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904363166 621585559 /nfs/dbraw/zinc/58/55/59/621585559.db2.gz WQIMKCKKDLLQGL-QGZVFWFLSA-N 2 0 276.424 2.743 20 0 CFADRP CCCC[NH+]1CCC(NC[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904364198 621585562 /nfs/dbraw/zinc/58/55/62/621585562.db2.gz UDTVCCCLVVONPO-OAHLLOKOSA-N 2 0 283.504 2.994 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)s1 ZINC000904391093 621586350 /nfs/dbraw/zinc/58/63/50/621586350.db2.gz CXCHFLYNKFXYLG-ZDUSSCGKSA-N 2 0 294.464 2.640 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000904376738 621586806 /nfs/dbraw/zinc/58/68/06/621586806.db2.gz DEMRYKOEOFSDRP-ZBFHGGJFSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@@H](C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000904392981 621586949 /nfs/dbraw/zinc/58/69/49/621586949.db2.gz FZKAEKSLLBUTND-DOTOQJQBSA-N 2 0 288.435 2.620 20 0 CFADRP C[C@@]1(C[NH2+]CC[C@H]2CCc3ccccc3N2)CCC[NH2+]C1 ZINC000904375704 621586993 /nfs/dbraw/zinc/58/69/93/621586993.db2.gz GHTIJSCMEDPNON-SJLPKXTDSA-N 2 0 287.451 2.783 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC000904377877 621587671 /nfs/dbraw/zinc/58/76/71/621587671.db2.gz ZVLQGELZJLJPFW-XBXGTLAGSA-N 2 0 299.443 2.906 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000904381434 621588323 /nfs/dbraw/zinc/58/83/23/621588323.db2.gz PALWMOFNRUTSII-WJONMLJTSA-N 2 0 284.325 2.801 20 0 CFADRP Cc1csc([C@@H]2CC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904384055 621588372 /nfs/dbraw/zinc/58/83/72/621588372.db2.gz HOFXBUUCAAAJQU-HIFRSBDPSA-N 2 0 279.453 2.631 20 0 CFADRP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@]1(C)CCC[NH2+]C1 ZINC000904385554 621588929 /nfs/dbraw/zinc/58/89/29/621588929.db2.gz YRYAIUZTHUFXJT-QGZVFWFLSA-N 2 0 271.408 2.989 20 0 CFADRP COC(=O)CC[C@H]1CCCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904385557 621589087 /nfs/dbraw/zinc/58/90/87/621589087.db2.gz YYQICRAVRZEZSH-CABCVRRESA-N 2 0 298.471 2.805 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000904405877 621590153 /nfs/dbraw/zinc/59/01/53/621590153.db2.gz RCPCVTXELVXYLY-INIZCTEOSA-N 2 0 276.424 2.906 20 0 CFADRP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904405611 621590160 /nfs/dbraw/zinc/59/01/60/621590160.db2.gz KWPZENGXZYIAOB-NSHDSACASA-N 2 0 267.442 2.611 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000904405864 621590177 /nfs/dbraw/zinc/59/01/77/621590177.db2.gz QPSMCONAGTUZMB-OLZOCXBDSA-N 2 0 250.361 2.600 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(-c2ccnn2C)c1 ZINC000904404710 621590430 /nfs/dbraw/zinc/59/04/30/621590430.db2.gz DFJBQFFBDYUWOB-OAHLLOKOSA-N 2 0 298.434 2.566 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000904404911 621590511 /nfs/dbraw/zinc/59/05/11/621590511.db2.gz ARDVQLHPVUOIPM-NSHDSACASA-N 2 0 262.328 2.743 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1C[NH3+] ZINC000904409599 621590777 /nfs/dbraw/zinc/59/07/77/621590777.db2.gz DECIFWATYCONMW-UKRRQHHQSA-N 2 0 288.435 2.817 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410687 621591657 /nfs/dbraw/zinc/59/16/57/621591657.db2.gz FLQBNPLBEDUAIP-VKDHPCIHSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@H]1C[NH3+] ZINC000904410412 621592003 /nfs/dbraw/zinc/59/20/03/621592003.db2.gz DHGQSLIHADSXFP-XJKSGUPXSA-N 2 0 269.392 2.652 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904410326 621592018 /nfs/dbraw/zinc/59/20/18/621592018.db2.gz DSJVXLOXIBYWES-IUODEOHRSA-N 2 0 292.471 2.672 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000904411305 621592532 /nfs/dbraw/zinc/59/25/32/621592532.db2.gz UIIUUWAHOURUSH-UMVBOHGHSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc3ccccc23)CC[C@H]1C[NH3+] ZINC000904411460 621592570 /nfs/dbraw/zinc/59/25/70/621592570.db2.gz NKXFZJFFGQYYNS-OLZOCXBDSA-N 2 0 258.365 2.850 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904412277 621593038 /nfs/dbraw/zinc/59/30/38/621593038.db2.gz RIUFRRQYZWMJQI-VXGBXAGGSA-N 2 0 252.427 2.727 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)s1 ZINC000904412153 621593389 /nfs/dbraw/zinc/59/33/89/621593389.db2.gz RCQSZVQNFINZFL-VXGBXAGGSA-N 2 0 267.442 2.683 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@H]1C[NH3+] ZINC000904412577 621593447 /nfs/dbraw/zinc/59/34/47/621593447.db2.gz WRQSOMZSSGGIDQ-KGLIPLIRSA-N 2 0 269.392 2.652 20 0 CFADRP FC1(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000904417039 621594189 /nfs/dbraw/zinc/59/41/89/621594189.db2.gz XMQPTGANYCPSQS-ZDUSSCGKSA-N 2 0 254.393 2.590 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)cc2c1OCC2 ZINC000904444314 621598949 /nfs/dbraw/zinc/59/89/49/621598949.db2.gz PVKWYBJBQQDVGF-OUJBWJOFSA-N 2 0 280.799 2.663 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904477393 621601815 /nfs/dbraw/zinc/60/18/15/621601815.db2.gz VHMDMVPREHDYHV-WFASDCNBSA-N 2 0 261.413 2.823 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc(C)c2)CC1 ZINC000905079394 621691056 /nfs/dbraw/zinc/69/10/56/621691056.db2.gz HHVMFFUGKQILNY-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP CCc1ccc([C@@H](CNc2cc(C)[nH+]c(N)n2)[NH+](C)C)cc1 ZINC000043532867 622175807 /nfs/dbraw/zinc/17/58/07/622175807.db2.gz MMQRQLTVLZTXMY-OAHLLOKOSA-N 2 0 299.422 2.644 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2([NH3+])C[C@H]2c2ccccc2)cc1 ZINC000911846869 622563543 /nfs/dbraw/zinc/56/35/43/622563543.db2.gz OMFITMTYGSCJEO-ULFGMLNVSA-N 2 0 295.386 2.530 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000820842722 622773256 /nfs/dbraw/zinc/77/32/56/622773256.db2.gz WZVWFLUYSWPLMH-IAOVAPTHSA-N 2 0 276.424 2.702 20 0 CFADRP Cc1cc(CNC[C@H](C)C[NH+]2CCCC2)c(C)o1 ZINC000163643593 622919489 /nfs/dbraw/zinc/91/94/89/622919489.db2.gz LRXWJFOGQVKQOW-LBPRGKRZSA-N 2 0 250.386 2.718 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224205320 622999195 /nfs/dbraw/zinc/99/91/95/622999195.db2.gz YCYGEVRXDAPDEN-QWRGUYRKSA-N 2 0 270.323 2.630 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)CCCN2 ZINC000157595692 623042665 /nfs/dbraw/zinc/04/26/65/623042665.db2.gz OZJNLPDENABTJV-IAGOWNOFSA-N 2 0 285.435 2.761 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@H]21 ZINC000228472356 623144733 /nfs/dbraw/zinc/14/47/33/623144733.db2.gz BUDLOGJXGFOVQD-MRVWCRGKSA-N 2 0 296.361 2.847 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000229939709 623234806 /nfs/dbraw/zinc/23/48/06/623234806.db2.gz PDQKYPDXDJAJOF-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@@H]21 ZINC000230046014 623242476 /nfs/dbraw/zinc/24/24/76/623242476.db2.gz BUDLOGJXGFOVQD-KWCYVHTRSA-N 2 0 296.361 2.847 20 0 CFADRP CN(Cc1ccccc1F)C[C@]1(C)CCC[NH2+]C1 ZINC000062862354 623300304 /nfs/dbraw/zinc/30/03/04/623300304.db2.gz CMXDRMNOQFKCNS-OAHLLOKOSA-N 2 0 250.361 2.647 20 0 CFADRP COc1ccccc1CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000062862402 623301007 /nfs/dbraw/zinc/30/10/07/623301007.db2.gz FGXKCJHPSGTKRK-MRXNPFEDSA-N 2 0 262.397 2.517 20 0 CFADRP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000823596828 623356845 /nfs/dbraw/zinc/35/68/45/623356845.db2.gz WIGBODVOLUNOSG-ROUUACIJSA-N 2 0 288.435 2.574 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)C(C)C)C[C@H]1C ZINC000929782338 623672582 /nfs/dbraw/zinc/67/25/82/623672582.db2.gz UWPQJEUMLZZMFH-PMPSAXMXSA-N 2 0 270.461 2.710 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)C(C)C)C[C@@H]1C ZINC000929782341 623672639 /nfs/dbraw/zinc/67/26/39/623672639.db2.gz UWPQJEUMLZZMFH-XHSDSOJGSA-N 2 0 270.461 2.710 20 0 CFADRP FC(F)C1CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000827948008 624136216 /nfs/dbraw/zinc/13/62/16/624136216.db2.gz DZOQEXYVOKFOEK-HSBZDZAISA-N 2 0 272.383 2.742 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)CC(C)C)C1 ZINC000827970702 624142289 /nfs/dbraw/zinc/14/22/89/624142289.db2.gz LTPARLRVMCCLFK-HNNXBMFYSA-N 2 0 268.445 2.655 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C3CC(OC(C)(C)C)C3)C2)C1 ZINC000830027954 624602748 /nfs/dbraw/zinc/60/27/48/624602748.db2.gz CQDSTFKXNCGUCK-DQPZFDDXSA-N 2 0 280.456 2.750 20 0 CFADRP Cc1nccn1CCC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925471644 624609958 /nfs/dbraw/zinc/60/99/58/624609958.db2.gz CVOASWHCISEZBE-QGZVFWFLSA-N 2 0 286.423 2.651 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCNc2ccccn2)C1 ZINC000925475694 624657076 /nfs/dbraw/zinc/65/70/76/624657076.db2.gz GXXGVEAUQWXTDE-HUUCEWRRSA-N 3 0 290.455 2.769 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921469530 624884630 /nfs/dbraw/zinc/88/46/30/624884630.db2.gz IXOQFPOZJRAYNG-CQSZACIVSA-N 2 0 292.471 2.509 20 0 CFADRP C[N@H+](CCC[NH2+]Cc1cc[nH]c(=O)c1)C1CCCCC1 ZINC000921505631 625788408 /nfs/dbraw/zinc/78/84/08/625788408.db2.gz ZNIVNXFGZGWHBR-UHFFFAOYSA-N 2 0 277.412 2.531 20 0 CFADRP CCCC[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000083479978 625939233 /nfs/dbraw/zinc/93/92/33/625939233.db2.gz DZYOOVQFWLKMEP-UHFFFAOYSA-N 2 0 264.413 2.907 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921526160 625973550 /nfs/dbraw/zinc/97/35/50/625973550.db2.gz BKXAUDVGARUVIW-UHFFFAOYSA-N 2 0 299.418 2.917 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000921527452 625978201 /nfs/dbraw/zinc/97/82/01/625978201.db2.gz NJGZUNYTZUIDCU-VNHYZAJKSA-N 2 0 268.470 2.735 20 0 CFADRP c1cc2c(c(CNC[C@@H]3CC[N@@H+](C4CC4)C3)n1)CCCC2 ZINC000921528295 625978753 /nfs/dbraw/zinc/97/87/53/625978753.db2.gz SEXWCUBQYKOHOM-AWEZNQCLSA-N 2 0 285.435 2.534 20 0 CFADRP CC[N@@H+]1CC[C@H](CNCc2cn(C)nc2C2CCCC2)C1 ZINC000921548217 625984723 /nfs/dbraw/zinc/98/47/23/625984723.db2.gz PTJGQYRHSKBXGS-CQSZACIVSA-N 2 0 290.455 2.509 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000921551239 625985068 /nfs/dbraw/zinc/98/50/68/625985068.db2.gz BKDPDXQBFHZQGY-SOUVJXGZSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000921583495 625991006 /nfs/dbraw/zinc/99/10/06/625991006.db2.gz XBUSAPQZESPCEN-GDBMZVCRSA-N 2 0 288.435 2.832 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000921617285 625994327 /nfs/dbraw/zinc/99/43/27/625994327.db2.gz CHJOLTDYUFCTPZ-RRFJBIMHSA-N 2 0 270.486 2.981 20 0 CFADRP Cn1cc(C[NH2+]CCCC[NH+](C)C)c(C2CCCC2)n1 ZINC000921617873 625995595 /nfs/dbraw/zinc/99/55/95/625995595.db2.gz RJBFOIMIFXOGFO-UHFFFAOYSA-N 2 0 278.444 2.509 20 0 CFADRP CC[N@@H+]1CCC[C@@H](CNCc2nccc3c2CCCC3)C1 ZINC000921623510 626000508 /nfs/dbraw/zinc/00/05/08/626000508.db2.gz GMPQGMGIKZGPIV-HNNXBMFYSA-N 2 0 287.451 2.782 20 0 CFADRP CC[N@@H+]1CCC[C@@H](CNCc2cnn(CC3CCC3)c2)C1 ZINC000921624720 626001399 /nfs/dbraw/zinc/00/13/99/626001399.db2.gz MNQOGCKAXXJRAX-INIZCTEOSA-N 2 0 290.455 2.505 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000922137000 626215800 /nfs/dbraw/zinc/21/58/00/626215800.db2.gz IGDFRJSPLAKOQO-MJBXVCDLSA-N 2 0 258.475 2.979 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnn(CC2CCC2)c1)C1CC1 ZINC000922170418 626229443 /nfs/dbraw/zinc/22/94/43/626229443.db2.gz FRTDXTAJWMXZTR-UHFFFAOYSA-N 2 0 290.455 2.647 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929282642 626244784 /nfs/dbraw/zinc/24/47/84/626244784.db2.gz LYXFOQQBSGCCRY-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000922318666 626268806 /nfs/dbraw/zinc/26/88/06/626268806.db2.gz YVVFLRFGKZUNAO-UHFFFAOYSA-N 2 0 290.455 2.961 20 0 CFADRP c1cc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000922428068 626287225 /nfs/dbraw/zinc/28/72/25/626287225.db2.gz JIPZCINQTPMZOX-WMLDXEAASA-N 2 0 282.391 2.937 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000922640900 626332268 /nfs/dbraw/zinc/33/22/68/626332268.db2.gz HJIOQQKMQNDVCV-YJBOKZPZSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cnc3ccccc3c2)CN1C1CC1 ZINC000922704466 626346571 /nfs/dbraw/zinc/34/65/71/626346571.db2.gz SEZWAXSSDOBXKG-RHSMWYFYSA-N 2 0 295.430 2.992 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC000922840495 626377620 /nfs/dbraw/zinc/37/76/20/626377620.db2.gz ZSEJOCYQCPPJDY-AGIUHOORSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC000922840497 626377920 /nfs/dbraw/zinc/37/79/20/626377920.db2.gz ZSEJOCYQCPPJDY-FRRDWIJNSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)O1 ZINC000922844339 626378604 /nfs/dbraw/zinc/37/86/04/626378604.db2.gz COQIOBMICWPUPX-AQIKHJSRSA-N 2 0 266.429 2.549 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CO1 ZINC000922846546 626379544 /nfs/dbraw/zinc/37/95/44/626379544.db2.gz MTEHNZYAWPFGRN-LVDPKSTMSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922845479 626379623 /nfs/dbraw/zinc/37/96/23/626379623.db2.gz RCBLPZLHAYZZMO-FHERZECASA-N 2 0 268.445 2.797 20 0 CFADRP Cn1ncc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1Cl ZINC000922845735 626379643 /nfs/dbraw/zinc/37/96/43/626379643.db2.gz SHNNAZCEKLGICT-UHFFFAOYSA-N 2 0 296.846 2.570 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CO1 ZINC000922846548 626379754 /nfs/dbraw/zinc/37/97/54/626379754.db2.gz MTEHNZYAWPFGRN-PYBGIAKNSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)CC1(C)C ZINC000923027982 626443150 /nfs/dbraw/zinc/44/31/50/626443150.db2.gz LZXUYNNJHFLNTC-KGLIPLIRSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)sc1C(C)(C)C ZINC000923276979 626462166 /nfs/dbraw/zinc/46/21/66/626462166.db2.gz IADRULYLVQDNGN-UHFFFAOYSA-N 2 0 281.469 2.920 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923282302 626462784 /nfs/dbraw/zinc/46/27/84/626462784.db2.gz MJMHUJXPSMWEJD-HNNXBMFYSA-N 2 0 250.430 2.888 20 0 CFADRP CCOc1ccc(CN(C)CCC[NH2+]C2CC2)cc1 ZINC000923299195 626463353 /nfs/dbraw/zinc/46/33/53/626463353.db2.gz OJPPLGWZHXIKTC-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308047 626464351 /nfs/dbraw/zinc/46/43/51/626464351.db2.gz ZKOHDIUVKFKHPG-DLBZAZTESA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303702 626464376 /nfs/dbraw/zinc/46/43/76/626464376.db2.gz ISQJTYKMTJMJPD-IUODEOHRSA-N 2 0 294.826 2.711 20 0 CFADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303865 626464496 /nfs/dbraw/zinc/46/44/96/626464496.db2.gz SEFMCBBDZOEKJM-HNNXBMFYSA-N 2 0 294.826 2.540 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CC1)[C@@H](C)c1cccc(O)c1 ZINC000923306231 626464934 /nfs/dbraw/zinc/46/49/34/626464934.db2.gz ILZJOMYHRMABBP-ZDUSSCGKSA-N 2 0 262.397 2.917 20 0 CFADRP CCS[C@H]1CC[C@H]([N@H+](C)CCC[NH2+]C2CC2)C1 ZINC000923315716 626465164 /nfs/dbraw/zinc/46/51/64/626465164.db2.gz YQUNJLPLPBCOOB-KBPBESRZSA-N 2 0 256.459 2.735 20 0 CFADRP COCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000923310695 626465821 /nfs/dbraw/zinc/46/58/21/626465821.db2.gz NJMZRISVOKXLRF-MQVJKMGUSA-N 2 0 280.456 2.798 20 0 CFADRP c1c[nH]c([C@@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923321563 626466570 /nfs/dbraw/zinc/46/65/70/626466570.db2.gz DYFHMGLXOOUPKJ-VIYLOZMYSA-N 2 0 288.439 2.510 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923361010 626469167 /nfs/dbraw/zinc/46/91/67/626469167.db2.gz GKCJRCUMXNEXBR-FGTMMUONSA-N 2 0 294.483 2.639 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923381498 626469598 /nfs/dbraw/zinc/46/95/98/626469598.db2.gz JCUMZMAMDWNALQ-IPMKNSEASA-N 2 0 298.430 2.603 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923390663 626469989 /nfs/dbraw/zinc/46/99/89/626469989.db2.gz UXUGQAVSPPGCKR-IUODEOHRSA-N 2 0 279.428 2.885 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000923391427 626470036 /nfs/dbraw/zinc/47/00/36/626470036.db2.gz FPSMQWVWPLNAMP-ZMYBRWDISA-N 2 0 298.430 2.555 20 0 CFADRP C[C@@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1CCC[NH3+] ZINC000923386869 626470326 /nfs/dbraw/zinc/47/03/26/626470326.db2.gz BONDPOALPISAGX-AJYUKVHDSA-N 3 0 293.499 2.747 20 0 CFADRP CC1(F)CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923417951 626471031 /nfs/dbraw/zinc/47/10/31/626471031.db2.gz ZBHPQHBCSBOQHA-AGUYFDCRSA-N 2 0 254.393 2.731 20 0 CFADRP Cc1nc(CN2C[C@H](C)[C@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923411577 626471302 /nfs/dbraw/zinc/47/13/02/626471302.db2.gz NQTAUQJMTUYIOK-CMPLNLGQSA-N 2 0 281.469 2.776 20 0 CFADRP Cc1cccc([C@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923448315 626473411 /nfs/dbraw/zinc/47/34/11/626473411.db2.gz BSHDQGSXXSNKMB-RDJZCZTQSA-N 2 0 288.435 2.886 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923456939 626473640 /nfs/dbraw/zinc/47/36/40/626473640.db2.gz SKBPAOFWHAAFGC-QGZVFWFLSA-N 2 0 288.435 2.633 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478416 626475527 /nfs/dbraw/zinc/47/55/27/626475527.db2.gz BTSTWQQXICLCNZ-CYBMUJFWSA-N 2 0 264.438 2.969 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cc2c1 ZINC000923480146 626475949 /nfs/dbraw/zinc/47/59/49/626475949.db2.gz VWQKBVDACOERGX-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP [NH3+]CC[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000923480894 626475972 /nfs/dbraw/zinc/47/59/72/626475972.db2.gz MPULTJOMSUFKBK-BLLLJJGKSA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000923480140 626476037 /nfs/dbraw/zinc/47/60/37/626476037.db2.gz FTUYJVAIHLGCMA-IAQYHMDHSA-N 2 0 264.800 2.998 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000923486313 626476256 /nfs/dbraw/zinc/47/62/56/626476256.db2.gz PEXXCTSUZLCNIB-LBPRGKRZSA-N 2 0 289.354 2.651 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000923483886 626476327 /nfs/dbraw/zinc/47/63/27/626476327.db2.gz RNUDFWDWPBWSJS-NSHDSACASA-N 2 0 277.393 2.574 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1C[NH3+] ZINC000923496067 626476483 /nfs/dbraw/zinc/47/64/83/626476483.db2.gz ZLYKZFCXSLRCPA-BBRMVZONSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923496414 626476601 /nfs/dbraw/zinc/47/66/01/626476601.db2.gz IAUZGYOFTODYOL-YPMHNXCESA-N 2 0 284.350 2.705 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923493832 626476621 /nfs/dbraw/zinc/47/66/21/626476621.db2.gz IQYXGAAZUXLMMX-ZIAGYGMSSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923497493 626477250 /nfs/dbraw/zinc/47/72/50/626477250.db2.gz MJDVYLNPENEGTM-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@H]1C[NH3+] ZINC000923499857 626477314 /nfs/dbraw/zinc/47/73/14/626477314.db2.gz UUWHMBJBHNDLJI-ZFWWWQNUSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@H]1C[NH3+] ZINC000923500672 626477325 /nfs/dbraw/zinc/47/73/25/626477325.db2.gz WRWWKNMCKAOTBI-UWVGGRQHSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@@H]1C[NH3+] ZINC000923500606 626477382 /nfs/dbraw/zinc/47/73/82/626477382.db2.gz WDXSZICAXQZFNS-WDEREUQCSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@H]1C[NH3+] ZINC000923500390 626477388 /nfs/dbraw/zinc/47/73/88/626477388.db2.gz OFUNDPPJSJHBEU-ZFWWWQNUSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@@H](c1cnccn1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506235 626477681 /nfs/dbraw/zinc/47/76/81/626477681.db2.gz GVSUDEKEQPCEPY-LSDHHAIUSA-N 2 0 288.439 2.639 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923505253 626477778 /nfs/dbraw/zinc/47/77/78/626477778.db2.gz ZDSBTGNORADEOC-OCCSQVGLSA-N 2 0 264.438 2.825 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)nc1 ZINC000923507495 626477821 /nfs/dbraw/zinc/47/78/21/626477821.db2.gz OQDDUMJDBPTDHD-INIZCTEOSA-N 2 0 287.451 2.992 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)O1 ZINC000923506869 626477844 /nfs/dbraw/zinc/47/78/44/626477844.db2.gz MNVYFKHQZDUJBY-INMHGKMJSA-N 2 0 280.456 2.656 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)o1 ZINC000923508681 626477962 /nfs/dbraw/zinc/47/79/62/626477962.db2.gz MBJSSAUOPLXQJG-AWEZNQCLSA-N 2 0 291.439 2.839 20 0 CFADRP FC1(F)[C@@H](C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000923515407 626478262 /nfs/dbraw/zinc/47/82/62/626478262.db2.gz GBWFTKPWCHEKBG-FZKCQIBNSA-N 2 0 292.373 2.577 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517581 626478308 /nfs/dbraw/zinc/47/83/08/626478308.db2.gz FJFRIYDXKHMUIS-LZWOXQAQSA-N 2 0 262.372 2.818 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C(C)(C)O1 ZINC000923529878 626478512 /nfs/dbraw/zinc/47/85/12/626478512.db2.gz CNIKGNVCLAXHMG-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP C(C[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000923526749 626478527 /nfs/dbraw/zinc/47/85/27/626478527.db2.gz UFQILLSCKBGUNV-IAOVAPTHSA-N 2 0 262.441 2.887 20 0 CFADRP [NH3+]CC[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000923552472 626479436 /nfs/dbraw/zinc/47/94/36/626479436.db2.gz AQWMSPNWAOWGKG-IFFAKLHKSA-N 2 0 299.462 2.860 20 0 CFADRP CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923555713 626479552 /nfs/dbraw/zinc/47/95/52/626479552.db2.gz UQGNFXVVSKTIOI-HQSKLWIPSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000923551326 626479647 /nfs/dbraw/zinc/47/96/47/626479647.db2.gz MVEZBOUQDLMTGU-CABCVRRESA-N 2 0 293.480 2.706 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000838937472 626516717 /nfs/dbraw/zinc/51/67/17/626516717.db2.gz MHLMEHONJQSWPT-OAHLLOKOSA-N 2 0 298.471 2.676 20 0 CFADRP OC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000839557504 626546269 /nfs/dbraw/zinc/54/62/69/626546269.db2.gz ZMLILSFJDDWQMR-GOSISDBHSA-N 2 0 288.435 2.533 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851750247 634511724 /nfs/dbraw/zinc/51/17/24/634511724.db2.gz BTWHHWRVCGVGKO-MRXNPFEDSA-N 2 0 298.471 2.580 20 0 CFADRP CC[N@@H+](CCc1ccccn1)CC[C@H]1CCCC[NH+]1C ZINC000760817756 626774378 /nfs/dbraw/zinc/77/43/78/626774378.db2.gz NBXFZWBFSZTVKS-QGZVFWFLSA-N 2 0 275.440 2.820 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C(C)C)CC1 ZINC000765463440 627140205 /nfs/dbraw/zinc/14/02/05/627140205.db2.gz JPTJYVUTUUUVDQ-UHFFFAOYSA-N 2 0 285.391 2.774 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000765770644 627156672 /nfs/dbraw/zinc/15/66/72/627156672.db2.gz OQCZTKHBTCNQLY-XJKSGUPXSA-N 2 0 284.407 2.535 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000765849045 627160935 /nfs/dbraw/zinc/16/09/35/627160935.db2.gz MJBYSPYNTBDQIY-HOCLYGCPSA-N 2 0 275.440 2.715 20 0 CFADRP CC1(O)CCC([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000766479092 627205237 /nfs/dbraw/zinc/20/52/37/627205237.db2.gz KVRMLVAXUGZFSA-UHFFFAOYSA-N 2 0 280.456 2.677 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000767349649 627244225 /nfs/dbraw/zinc/24/42/25/627244225.db2.gz USOBWOFNLLANFA-GJZGRUSLSA-N 2 0 294.439 2.875 20 0 CFADRP Cc1cc2ncn(C[N@H+](C)CCCn3ccnc3)c2cc1C ZINC000767757171 627282202 /nfs/dbraw/zinc/28/22/02/627282202.db2.gz XFHYRSPWHVOMPU-UHFFFAOYSA-N 2 0 297.406 2.829 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccoc2)CC1 ZINC000768301984 627331577 /nfs/dbraw/zinc/33/15/77/627331577.db2.gz GABYAQKFDMTYGA-UHFFFAOYSA-N 2 0 250.386 2.833 20 0 CFADRP CO[C@H]1CC[C@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000851885831 634571300 /nfs/dbraw/zinc/57/13/00/634571300.db2.gz MJPMPTMVZHJERR-HOTGVXAUSA-N 2 0 268.445 2.608 20 0 CFADRP CCc1noc(C)c1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769871679 627482825 /nfs/dbraw/zinc/48/28/25/627482825.db2.gz ZGSUZBGXJPKUOU-AAEUAGOBSA-N 2 0 277.412 2.680 20 0 CFADRP CCc1noc(C)c1[C@@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000769874077 627483206 /nfs/dbraw/zinc/48/32/06/627483206.db2.gz MISBYRFFIAZOSF-GFCCVEGCSA-N 2 0 279.428 2.928 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851919034 634588297 /nfs/dbraw/zinc/58/82/97/634588297.db2.gz FUTRXYYAEGNOOY-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC[N@@H+]2C1 ZINC000773137045 627787421 /nfs/dbraw/zinc/78/74/21/627787421.db2.gz OSQOTBZCSSWFEB-KJWHEZOQSA-N 2 0 298.521 2.582 20 0 CFADRP CS[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000774356828 627918860 /nfs/dbraw/zinc/91/88/60/627918860.db2.gz XIBKBXVQDWRJCP-GSPSYOTPSA-N 2 0 270.486 2.979 20 0 CFADRP COc1ccc2c(NC[C@@H]3CCC[N@H+](C)C3)cc[nH+]c2c1 ZINC000774528559 627935165 /nfs/dbraw/zinc/93/51/65/627935165.db2.gz GADBXLAZEWGXIB-ZDUSSCGKSA-N 2 0 285.391 2.997 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)[C@@H]1CC[C@@H](OC)C1 ZINC000851985063 634616466 /nfs/dbraw/zinc/61/64/66/634616466.db2.gz IIFYOCOYOLYVFA-HUUCEWRRSA-N 2 0 279.428 2.725 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000852006559 634624202 /nfs/dbraw/zinc/62/42/02/634624202.db2.gz ASCSNOOJTYGQKA-UHFFFAOYSA-N 2 0 289.423 2.860 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000776365595 628136160 /nfs/dbraw/zinc/13/61/60/628136160.db2.gz WYATWDJDDIGGDI-STQMWFEESA-N 2 0 293.480 2.842 20 0 CFADRP CO[C@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000852115448 634663123 /nfs/dbraw/zinc/66/31/23/634663123.db2.gz GROOQJAJXIFFMN-ROUUACIJSA-N 2 0 288.435 2.808 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782183187 628610960 /nfs/dbraw/zinc/61/09/60/628610960.db2.gz ISXOJZRCFIIHEP-HNNXBMFYSA-N 2 0 290.451 2.900 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000783243828 628692477 /nfs/dbraw/zinc/69/24/77/628692477.db2.gz DUQUQLLQBYENHP-XJKSGUPXSA-N 2 0 259.397 2.686 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000783518885 628714978 /nfs/dbraw/zinc/71/49/78/628714978.db2.gz PEKCIGWAQRIZPN-HUUCEWRRSA-N 2 0 270.486 2.840 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000785837243 628916215 /nfs/dbraw/zinc/91/62/15/628916215.db2.gz MLZCDEUGCHSRDT-QWHCGFSZSA-N 2 0 285.391 2.772 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC000788482630 629073379 /nfs/dbraw/zinc/07/33/79/629073379.db2.gz ODMPSOICROGQPK-CRAIPNDOSA-N 2 0 288.435 2.790 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000788493955 629074546 /nfs/dbraw/zinc/07/45/46/629074546.db2.gz KVWGTRCTECHZSR-UHFFFAOYSA-N 2 0 267.442 2.618 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cc[nH]c(=O)c1 ZINC000788736302 629095566 /nfs/dbraw/zinc/09/55/66/629095566.db2.gz FMZPNAWPMQDWNZ-UONOGXRCSA-N 2 0 277.412 2.702 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC000835061899 629363207 /nfs/dbraw/zinc/36/32/07/629363207.db2.gz KYUVVZGWNWNHCY-UHFFFAOYSA-N 2 0 267.804 2.699 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000793002629 629475334 /nfs/dbraw/zinc/47/53/34/629475334.db2.gz ZPWSZDOTEAAJTD-RDHHWEPZSA-N 2 0 280.456 2.798 20 0 CFADRP FC1(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000792999975 629475368 /nfs/dbraw/zinc/47/53/68/629475368.db2.gz HFIVCIFPFYCVKX-UHFFFAOYSA-N 2 0 254.393 2.875 20 0 CFADRP Cc1cnc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000794531435 629655836 /nfs/dbraw/zinc/65/58/36/629655836.db2.gz LSXGAFUAKRJQFJ-OAHLLOKOSA-N 2 0 288.439 2.654 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)COC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453548 629919931 /nfs/dbraw/zinc/91/99/31/629919931.db2.gz JRVXMDNQNQPXPR-JWTNVVGKSA-N 2 0 286.419 2.774 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000796731132 629957137 /nfs/dbraw/zinc/95/71/37/629957137.db2.gz VADOOZXFKOCZGK-LNLFQRSKSA-N 2 0 299.462 2.512 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000796775245 629964114 /nfs/dbraw/zinc/96/41/14/629964114.db2.gz JRAPMZLIUGANMJ-XPABHHOTSA-N 2 0 268.470 2.733 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796792751 629968551 /nfs/dbraw/zinc/96/85/51/629968551.db2.gz ITEUTXWMLDYGPG-ULQDDVLXSA-N 2 0 273.424 2.561 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000852557271 634780147 /nfs/dbraw/zinc/78/01/47/634780147.db2.gz LNMNERDWLZYIFY-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H]1C[C@@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956939 630263990 /nfs/dbraw/zinc/26/39/90/630263990.db2.gz QSZHALXRNVKHKG-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956938 630264253 /nfs/dbraw/zinc/26/42/53/630264253.db2.gz QSZHALXRNVKHKG-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000799178863 630284056 /nfs/dbraw/zinc/28/40/56/630284056.db2.gz NXTBYTIWTOJKJC-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178091 630284214 /nfs/dbraw/zinc/28/42/14/630284214.db2.gz GCFFXTWEZRYODN-INIZCTEOSA-N 2 0 282.472 2.591 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852754583 634826144 /nfs/dbraw/zinc/82/61/44/634826144.db2.gz WXUBFRCLLKWWNV-QGZVFWFLSA-N 3 0 281.488 2.607 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806130535 630770502 /nfs/dbraw/zinc/77/05/02/630770502.db2.gz ADRAMZKODDTWOG-WCQYABFASA-N 2 0 279.815 2.654 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000041635640 649992086 /nfs/dbraw/zinc/99/20/86/649992086.db2.gz QVURJEJTGNKVKZ-UHFFFAOYSA-N 2 0 284.407 2.652 20 0 CFADRP O[C@H](CC[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000809748116 631279780 /nfs/dbraw/zinc/27/97/80/631279780.db2.gz JTYZOBPJOKKKLJ-GOSISDBHSA-N 2 0 288.435 2.574 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000841009517 631303768 /nfs/dbraw/zinc/30/37/68/631303768.db2.gz PUTPMYALJAYHMC-ZIAGYGMSSA-N 2 0 282.453 2.765 20 0 CFADRP CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841010378 631305618 /nfs/dbraw/zinc/30/56/18/631305618.db2.gz WBMLCVITSZMRBC-NUJGCVRESA-N 2 0 290.451 2.738 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cnc1Cl ZINC000841032395 631311950 /nfs/dbraw/zinc/31/19/50/631311950.db2.gz SROHMXIWQPFBAZ-UHFFFAOYSA-N 2 0 289.810 2.834 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841031834 631311974 /nfs/dbraw/zinc/31/19/74/631311974.db2.gz YSXZINYZVGZFNS-AEFFLSMTSA-N 2 0 293.499 2.748 20 0 CFADRP COc1c(C)cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1C ZINC000841055774 631322517 /nfs/dbraw/zinc/32/25/17/631322517.db2.gz XDMNLHGCKPQLSL-UHFFFAOYSA-N 2 0 276.424 2.791 20 0 CFADRP [NH3+][C@H]1CCC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000841057077 631324583 /nfs/dbraw/zinc/32/45/83/631324583.db2.gz HKOOTDZKQJINSS-WMZOPIPTSA-N 2 0 293.499 2.891 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[NH2+]1 ZINC000841061370 631328199 /nfs/dbraw/zinc/32/81/99/631328199.db2.gz HQXJGKZDAYGGML-DOMZBBRYSA-N 2 0 274.408 2.630 20 0 CFADRP CCCCCC[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000841068194 631329802 /nfs/dbraw/zinc/32/98/02/631329802.db2.gz KPDGTTYUASIOLA-HNNXBMFYSA-N 2 0 270.461 2.951 20 0 CFADRP CCCCn1nc(C)c(C[NH2+][C@H](C)CCC[NH3+])c1Cl ZINC000841080878 631332685 /nfs/dbraw/zinc/33/26/85/631332685.db2.gz RHKTZKJFZFRTOX-LLVKDONJSA-N 2 0 286.851 2.862 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000841080217 631333253 /nfs/dbraw/zinc/33/32/53/631333253.db2.gz QWPJUTNCUHHDIW-OAHLLOKOSA-N 2 0 274.408 2.544 20 0 CFADRP Cc1cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(N)[nH+]1 ZINC000811845929 631632187 /nfs/dbraw/zinc/63/21/87/631632187.db2.gz FECYIOMJWUBDIS-CJNGLKHVSA-N 2 0 299.422 2.779 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474103 631641106 /nfs/dbraw/zinc/64/11/06/631641106.db2.gz FDLXAHQJBHOMEJ-IAGOWNOFSA-N 2 0 288.435 2.838 20 0 CFADRP CCC[NH+](CCC)CCCc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842670417 631699678 /nfs/dbraw/zinc/69/96/78/631699678.db2.gz UPYARMZCEJOVFV-CQSZACIVSA-N 2 0 294.443 2.591 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H]1CCOc2ccccc21 ZINC000843053602 631817259 /nfs/dbraw/zinc/81/72/59/631817259.db2.gz DVGAYRDPZSRKND-WZYMTQMTSA-N 2 0 286.419 2.897 20 0 CFADRP COc1cccc2cc(C[N@H+](C)CC(C)(C)C[NH3+])oc21 ZINC000843056045 631818465 /nfs/dbraw/zinc/81/84/65/631818465.db2.gz DDTCZNGUQRHTOW-UHFFFAOYSA-N 2 0 276.380 2.858 20 0 CFADRP C[N@H+](Cc1cccc2cnccc21)C1CCC([NH3+])CC1 ZINC000843054714 631818917 /nfs/dbraw/zinc/81/89/17/631818917.db2.gz CPUVUQOVLNNOEY-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP C[N@H+](Cc1c[nH]nc1-c1cccs1)C1CCC([NH3+])CC1 ZINC000843055426 631819324 /nfs/dbraw/zinc/81/93/24/631819324.db2.gz BWUDTAFRFDTETG-UHFFFAOYSA-N 2 0 290.436 2.840 20 0 CFADRP CCOc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843056008 631819368 /nfs/dbraw/zinc/81/93/68/631819368.db2.gz BRVGBEPGBJOJMT-UHFFFAOYSA-N 2 0 292.423 2.796 20 0 CFADRP CCc1cccc(F)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000843104039 631835784 /nfs/dbraw/zinc/83/57/84/631835784.db2.gz FQQNLENKAGYPLC-UHFFFAOYSA-N 2 0 250.361 2.748 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000843126459 631845098 /nfs/dbraw/zinc/84/50/98/631845098.db2.gz FXZLJSKGVMDEDR-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP Cn1c2ccc(Cl)cc2nc1C[NH2+]CCCCCC[NH3+] ZINC000843127071 631846662 /nfs/dbraw/zinc/84/66/62/631846662.db2.gz MWTHDEUBGPIQSX-UHFFFAOYSA-N 2 0 294.830 2.835 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000843127858 631847470 /nfs/dbraw/zinc/84/74/70/631847470.db2.gz RKTPXZQRNREBCK-OAHLLOKOSA-N 2 0 266.816 2.916 20 0 CFADRP [NH3+]CCCCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000843128078 631847742 /nfs/dbraw/zinc/84/77/42/631847742.db2.gz SZYUYUFSGKQGKO-UHFFFAOYSA-N 2 0 275.440 2.764 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843342970 631932203 /nfs/dbraw/zinc/93/22/03/631932203.db2.gz VYXKABQJCKINKN-LLVKDONJSA-N 2 0 284.425 2.704 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843341641 631932475 /nfs/dbraw/zinc/93/24/75/631932475.db2.gz KTUHTVOZSDVLFO-CABCVRRESA-N 2 0 270.461 2.935 20 0 CFADRP COc1ccccc1CCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355292 631935141 /nfs/dbraw/zinc/93/51/41/631935141.db2.gz QFNSFOBDGJSMET-UHFFFAOYSA-N 2 0 276.424 2.830 20 0 CFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCF ZINC000843376379 631940927 /nfs/dbraw/zinc/94/09/27/631940927.db2.gz BZBLQJOZDJUGTK-HOTGVXAUSA-N 2 0 264.388 2.628 20 0 CFADRP Clc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000843385856 631942381 /nfs/dbraw/zinc/94/23/81/631942381.db2.gz YXYVNNYGCGZTRJ-AWEZNQCLSA-N 2 0 279.815 2.557 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000844221122 632136756 /nfs/dbraw/zinc/13/67/56/632136756.db2.gz VWFKDYVUYDPPGM-UHFFFAOYSA-N 2 0 295.496 2.775 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000844221632 632137189 /nfs/dbraw/zinc/13/71/89/632137189.db2.gz IQJRRUVLOBGFKH-UHFFFAOYSA-N 2 0 296.484 2.564 20 0 CFADRP CCc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)nc1 ZINC000815106892 632203240 /nfs/dbraw/zinc/20/32/40/632203240.db2.gz CQETXKHLOUIJOV-UHFFFAOYSA-N 2 0 287.451 2.952 20 0 CFADRP Cc1cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cnc1Cl ZINC000844901954 632330881 /nfs/dbraw/zinc/33/08/81/632330881.db2.gz KFZOPORFEHKTIH-RISCZKNCSA-N 2 0 281.831 2.993 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000844904047 632331714 /nfs/dbraw/zinc/33/17/14/632331714.db2.gz XQTABDHUYGFSNN-QWRGUYRKSA-N 2 0 264.335 2.826 20 0 CFADRP c1[nH+]cn2ccc(-c3noc([C@H]4CC[C@@H](C5CC5)[NH2+]4)n3)cc12 ZINC000844915798 632334399 /nfs/dbraw/zinc/33/43/99/632334399.db2.gz AHQLLSDHGRMDQE-UONOGXRCSA-N 2 0 295.346 2.587 20 0 CFADRP C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@@H]1CCCC[NH2+]1 ZINC000844925440 632334856 /nfs/dbraw/zinc/33/48/56/632334856.db2.gz UZCMLYOFFQOIRE-WUHRBBMRSA-N 2 0 262.800 2.811 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@]1(F)Cl ZINC000844922188 632336822 /nfs/dbraw/zinc/33/68/22/632336822.db2.gz BNRKEMOJNVGRNL-XHJNMGKDSA-N 2 0 274.811 2.669 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000844922537 632337519 /nfs/dbraw/zinc/33/75/19/632337519.db2.gz AJPMNPKNQMWSKL-VWYCJHECSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)nc1 ZINC000844923440 632337603 /nfs/dbraw/zinc/33/76/03/632337603.db2.gz RVJBRDNFAKCSRM-SNVBAGLBSA-N 2 0 253.777 2.515 20 0 CFADRP C[C@]1(CC[NH2+]C2CCC(C[NH3+])CC2)C[C@]1(F)Cl ZINC000844923619 632337965 /nfs/dbraw/zinc/33/79/65/632337965.db2.gz MKDBNFBUPFYIPY-IFWUJCSASA-N 2 0 262.800 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccnc1Cl ZINC000844923409 632338035 /nfs/dbraw/zinc/33/80/35/632338035.db2.gz GCCISVOMAYNTMZ-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP CC(C)C[N@H+](C)CCCNCc1ccc(Cl)nc1 ZINC000845995899 632610173 /nfs/dbraw/zinc/61/01/73/632610173.db2.gz ILCSUUFOLFLIQN-UHFFFAOYSA-N 2 0 269.820 2.803 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000817413978 632625874 /nfs/dbraw/zinc/62/58/74/632625874.db2.gz OFMRDXAHELTENK-UHFFFAOYSA-N 2 0 285.794 2.837 20 0 CFADRP Cc1cccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])c1C ZINC000846217703 632664027 /nfs/dbraw/zinc/66/40/27/632664027.db2.gz MLJWZQICCUIJEB-UHFFFAOYSA-N 2 0 291.439 2.693 20 0 CFADRP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000846224861 632667915 /nfs/dbraw/zinc/66/79/15/632667915.db2.gz BKGLXDWLLPHPJY-OAHLLOKOSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCc2cccs2)C1 ZINC000846226727 632668690 /nfs/dbraw/zinc/66/86/90/632668690.db2.gz AVWHKHTWCNPXOY-BMFZPTHFSA-N 2 0 294.464 2.651 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000817892681 632718487 /nfs/dbraw/zinc/71/84/87/632718487.db2.gz OQUSZEGSBVOCIK-ZYSHUDEJSA-N 2 0 298.430 2.577 20 0 CFADRP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000817894635 632720419 /nfs/dbraw/zinc/72/04/19/632720419.db2.gz OFHAMMBEQVXSTI-YOEHRIQHSA-N 2 0 294.439 2.614 20 0 CFADRP CSC(C)(C)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817898053 632721659 /nfs/dbraw/zinc/72/16/59/632721659.db2.gz CDSAXJMACKJWDL-SNVBAGLBSA-N 2 0 267.442 2.641 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccccc1 ZINC000817901053 632724584 /nfs/dbraw/zinc/72/45/84/632724584.db2.gz RVWFIITYUILULR-WBVHZDCISA-N 2 0 275.440 2.999 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817900426 632724638 /nfs/dbraw/zinc/72/46/38/632724638.db2.gz SKPOJMPFBKFDGQ-ZACQAIPSSA-N 2 0 291.439 2.734 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000817905840 632728296 /nfs/dbraw/zinc/72/82/96/632728296.db2.gz UVIZGFNPUJWNIM-FMKPAKJESA-N 2 0 264.413 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904920 632728485 /nfs/dbraw/zinc/72/84/85/632728485.db2.gz HQYUXDPWMGOOAB-KDOFPFPSSA-N 2 0 286.419 2.980 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904895 632728510 /nfs/dbraw/zinc/72/85/10/632728510.db2.gz GORGBSQMTKBEKV-OKZBNKHCSA-N 2 0 284.403 2.590 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000817910354 632729755 /nfs/dbraw/zinc/72/97/55/632729755.db2.gz SEMHXXUBKGSFHJ-RYQLBKOJSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000817912282 632730655 /nfs/dbraw/zinc/73/06/55/632730655.db2.gz FYKXNESGPCSEMB-KBAYOESNSA-N 2 0 290.451 2.795 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000817914914 632732385 /nfs/dbraw/zinc/73/23/85/632732385.db2.gz CHJAXESQWCTTNY-RRFJBIMHSA-N 2 0 279.453 2.504 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817917673 632733436 /nfs/dbraw/zinc/73/34/36/632733436.db2.gz BZXINXGPOAOATI-OWCLPIDISA-N 2 0 296.455 2.573 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl ZINC000817918195 632733472 /nfs/dbraw/zinc/73/34/72/632733472.db2.gz JVWSGGQYNIMPNE-QSDJMHMYSA-N 2 0 288.794 2.616 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817917644 632733588 /nfs/dbraw/zinc/73/35/88/632733588.db2.gz QPZWAZGSSHODFR-ZACQAIPSSA-N 2 0 288.435 2.750 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000817922888 632735732 /nfs/dbraw/zinc/73/57/32/632735732.db2.gz NTFLVUHVPUDCLI-PMPSAXMXSA-N 2 0 296.842 2.797 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000817923373 632736377 /nfs/dbraw/zinc/73/63/77/632736377.db2.gz XCTISBFFFMVTDH-XHSDSOJGSA-N 2 0 296.842 2.797 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817925202 632737686 /nfs/dbraw/zinc/73/76/86/632737686.db2.gz RZEKCWPGKXCFDS-HOCLYGCPSA-N 2 0 276.424 2.521 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000817929122 632738796 /nfs/dbraw/zinc/73/87/96/632738796.db2.gz DWMZQJATIOALNA-RBZYPMLTSA-N 2 0 252.789 2.523 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817937241 632741813 /nfs/dbraw/zinc/74/18/13/632741813.db2.gz RBBVKIWOOBBANK-UWVGGRQHSA-N 2 0 253.217 2.677 20 0 CFADRP C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936400 632742046 /nfs/dbraw/zinc/74/20/46/632742046.db2.gz JZYHYQRZHMMKHF-DCAQKATOSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[NH2+]1 ZINC000817936404 632742084 /nfs/dbraw/zinc/74/20/84/632742084.db2.gz JZYHYQRZHMMKHF-GARJFASQSA-N 2 0 265.228 2.691 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000817941165 632743823 /nfs/dbraw/zinc/74/38/23/632743823.db2.gz MWFYRGIKYKNJSG-LBPRGKRZSA-N 2 0 250.361 2.784 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946510 632748821 /nfs/dbraw/zinc/74/88/21/632748821.db2.gz YMWQPKWRGRBTCH-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C[C@H]1OC ZINC000817948488 632749314 /nfs/dbraw/zinc/74/93/14/632749314.db2.gz KOKIBSWBFYDMGK-IAGOWNOFSA-N 2 0 290.451 2.871 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cnn(-c2ccccc2)c1 ZINC000817947816 632749374 /nfs/dbraw/zinc/74/93/74/632749374.db2.gz RXUPDIWCMPERTQ-HRCADAONSA-N 2 0 298.434 2.911 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817949697 632750116 /nfs/dbraw/zinc/75/01/16/632750116.db2.gz SBFHDBGCYSPHQD-AWEZNQCLSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1cc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)n(C)n1 ZINC000817962178 632762050 /nfs/dbraw/zinc/76/20/50/632762050.db2.gz GWTFFEZVRJCKSP-OLZOCXBDSA-N 2 0 272.396 2.599 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)N[C@H](C)C[NH3+])ccc1OC ZINC000817966170 632765208 /nfs/dbraw/zinc/76/52/08/632765208.db2.gz HYGQAVAJGHZQGP-KGLIPLIRSA-N 2 0 293.455 2.535 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cnn1-c1ccccc1 ZINC000817966991 632766222 /nfs/dbraw/zinc/76/62/22/632766222.db2.gz BHFUWJMNYYTIRH-AWEZNQCLSA-N 2 0 296.418 2.751 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)nc1 ZINC000817970103 632768244 /nfs/dbraw/zinc/76/82/44/632768244.db2.gz LHWZEJAXUURMCA-WCQGTBRESA-N 2 0 253.777 2.656 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000817970051 632768520 /nfs/dbraw/zinc/76/85/20/632768520.db2.gz KHHMDARPDFQEJN-HUBLWGQQSA-N 2 0 250.361 2.783 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)NC[C@H](C)[NH3+])ccc1OC ZINC000817971372 632771015 /nfs/dbraw/zinc/77/10/15/632771015.db2.gz DEQMSLKKEUKZKD-KBPBESRZSA-N 2 0 293.455 2.535 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817975403 632773786 /nfs/dbraw/zinc/77/37/86/632773786.db2.gz MZLYQDAGJLUGBD-MNOVXSKESA-N 2 0 255.793 2.903 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976873 632775297 /nfs/dbraw/zinc/77/52/97/632775297.db2.gz VZODBFLTPXMAGM-RYUDHWBXSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817981317 632777845 /nfs/dbraw/zinc/77/78/45/632777845.db2.gz QYGHCBNTZNXAKI-WCQYABFASA-N 2 0 267.804 2.918 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccnc(Cl)c1 ZINC000817983230 632779539 /nfs/dbraw/zinc/77/95/39/632779539.db2.gz ZUNMOXVGRDNQOC-UMNHJUIQSA-N 2 0 253.777 2.513 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)n(C)n1 ZINC000817983065 632779598 /nfs/dbraw/zinc/77/95/98/632779598.db2.gz JUOMYYYARCJWEK-GDBMZVCRSA-N 2 0 286.423 2.859 20 0 CFADRP CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817984058 632781411 /nfs/dbraw/zinc/78/14/11/632781411.db2.gz MJHVSOJBBHWZAR-KRWDZBQOSA-N 2 0 286.419 2.972 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCc1cccs1)CC[NH2+]CC2 ZINC000818340413 632832665 /nfs/dbraw/zinc/83/26/65/632832665.db2.gz MEPQBJRSCHZAHY-CYBMUJFWSA-N 2 0 264.438 2.755 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc(Cl)s1)CC[NH2+]CC2 ZINC000818340719 632832874 /nfs/dbraw/zinc/83/28/74/632832874.db2.gz RFRHQHKKUONEDP-JTQLQIEISA-N 2 0 285.844 2.761 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CC2(O)CCCCC2)C1 ZINC000818959539 632915222 /nfs/dbraw/zinc/91/52/22/632915222.db2.gz NNRDUUZISDNSNG-MRXNPFEDSA-N 2 0 282.472 2.783 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](O)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000818968643 632917673 /nfs/dbraw/zinc/91/76/73/632917673.db2.gz DHEYBJKSNCSKBV-YOEHRIQHSA-N 2 0 294.414 2.571 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](O)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000818967005 632917798 /nfs/dbraw/zinc/91/77/98/632917798.db2.gz PGIGUSXXIDWZGG-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000818988635 632924389 /nfs/dbraw/zinc/92/43/89/632924389.db2.gz CPEHTDWQBUPCED-SFHVURJKSA-N 2 0 290.451 2.658 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819043203 632939538 /nfs/dbraw/zinc/93/95/38/632939538.db2.gz PYXRNJHIZUZPMN-KRWDZBQOSA-N 2 0 294.414 2.713 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000819105681 632966978 /nfs/dbraw/zinc/96/69/78/632966978.db2.gz HMWFLOIQAYUGLR-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000819231550 633029845 /nfs/dbraw/zinc/02/98/45/633029845.db2.gz YCXQZAQBCIQTMN-FUHWJXTLSA-N 2 0 290.451 2.883 20 0 CFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccccc1F ZINC000819332719 633089184 /nfs/dbraw/zinc/08/91/84/633089184.db2.gz BYTIHHYXYMUEGP-KRWDZBQOSA-N 2 0 294.414 2.715 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819366416 633132364 /nfs/dbraw/zinc/13/23/64/633132364.db2.gz PNAHHNHKIVRVED-BBRMVZONSA-N 2 0 296.842 2.695 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819366419 633133035 /nfs/dbraw/zinc/13/30/35/633133035.db2.gz PNAHHNHKIVRVED-XJKSGUPXSA-N 2 0 296.842 2.695 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848527664 633277480 /nfs/dbraw/zinc/27/74/80/633277480.db2.gz DJCPPGWOOQDKSA-UHFFFAOYSA-N 2 0 298.862 2.675 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000848561875 633289970 /nfs/dbraw/zinc/28/99/70/633289970.db2.gz DBRWAEHFBCGHOI-JGZJWPJOSA-N 2 0 288.222 2.818 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000848715256 633322474 /nfs/dbraw/zinc/32/24/74/633322474.db2.gz RWDORDWRMWERIZ-FGTMMUONSA-N 2 0 284.403 2.733 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000848720213 633324210 /nfs/dbraw/zinc/32/42/10/633324210.db2.gz UBVTWHDYDFKWGR-DLBZAZTESA-N 3 0 281.488 2.892 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857252900 635957025 /nfs/dbraw/zinc/95/70/25/635957025.db2.gz FTFYOLPGWXDQAY-OUAUKWLOSA-N 2 0 265.228 2.548 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCCC[NH+]2CCCC2)cc1 ZINC000848982577 633416090 /nfs/dbraw/zinc/41/60/90/633416090.db2.gz CMDJSMGTNDETBJ-UHFFFAOYSA-N 2 0 274.412 2.671 20 0 CFADRP CCC(CC)[C@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCC1 ZINC000848984022 633416486 /nfs/dbraw/zinc/41/64/86/633416486.db2.gz DQQSHVYPROQWNW-HNNXBMFYSA-N 2 0 280.460 2.553 20 0 CFADRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000848986582 633418075 /nfs/dbraw/zinc/41/80/75/633418075.db2.gz JJZUJGQIOBVICQ-CYBMUJFWSA-N 2 0 286.423 2.596 20 0 CFADRP Cc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000848996145 633451447 /nfs/dbraw/zinc/45/14/47/633451447.db2.gz GRGCRNUTWOGRII-OAHLLOKOSA-N 2 0 288.439 2.970 20 0 CFADRP Cc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000848996295 633452163 /nfs/dbraw/zinc/45/21/63/633452163.db2.gz OPQKORCFKHEBFN-AWEZNQCLSA-N 2 0 274.412 2.662 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000848999022 633453294 /nfs/dbraw/zinc/45/32/94/633453294.db2.gz KNNMRNXITVOSCQ-AWEZNQCLSA-N 2 0 289.427 2.672 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@H](C)CC ZINC000848998459 633453712 /nfs/dbraw/zinc/45/37/12/633453712.db2.gz KIJQSWLITIEIHK-KGLIPLIRSA-N 2 0 268.449 2.553 20 0 CFADRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)NC1CCC1 ZINC000849006863 633457572 /nfs/dbraw/zinc/45/75/72/633457572.db2.gz APWCFUJIEAMTQM-INIZCTEOSA-N 2 0 292.471 2.698 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849016847 633462609 /nfs/dbraw/zinc/46/26/09/633462609.db2.gz MRJRBJWEIBYJDM-LSDHHAIUSA-N 2 0 282.476 2.655 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849025982 633466858 /nfs/dbraw/zinc/46/68/58/633466858.db2.gz HTFBQVXENUEKBA-HIFRSBDPSA-N 2 0 280.460 2.696 20 0 CFADRP CC1(C)CCC[N@@H+]1CCNC(=[NH2+])NC1CCCCCC1 ZINC000849037941 633474519 /nfs/dbraw/zinc/47/45/19/633474519.db2.gz BJGUUSBZFNCKAS-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C2CCC2)CCC1 ZINC000849039434 633475289 /nfs/dbraw/zinc/47/52/89/633475289.db2.gz YGCHWWQXGPTLBU-HNNXBMFYSA-N 2 0 292.471 2.555 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1=CCCCCC1 ZINC000849087969 633484550 /nfs/dbraw/zinc/48/45/50/633484550.db2.gz SIUPDWNXPXEGPE-MRXNPFEDSA-N 2 0 292.471 2.865 20 0 CFADRP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849108098 633486053 /nfs/dbraw/zinc/48/60/53/633486053.db2.gz AVMSFFVDXIDCGL-UHFFFAOYSA-N 2 0 294.487 2.945 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000850472469 634007116 /nfs/dbraw/zinc/00/71/16/634007116.db2.gz ZEWDXYPVIPBTEX-ZIAGYGMSSA-N 2 0 276.424 2.860 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850483814 634013699 /nfs/dbraw/zinc/01/36/99/634013699.db2.gz VDIHXXMNZIQAJR-MSOLQXFVSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@@H]2CCC[C@H]21 ZINC000850524925 634033352 /nfs/dbraw/zinc/03/33/52/634033352.db2.gz FLXJZTVLDIFMDQ-AVEIZBFRSA-N 2 0 286.419 2.627 20 0 CFADRP C[C@H](CN[C@H](c1ccccc1)[C@@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000925487112 634286517 /nfs/dbraw/zinc/28/65/17/634286517.db2.gz VTTKTTWMSHGWKI-NUJGCVRESA-N 2 0 289.467 2.787 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221371 635261690 /nfs/dbraw/zinc/26/16/90/635261690.db2.gz LBJMJACXVJSOOC-QGTPRVQTSA-N 2 0 284.403 2.590 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157442788 650216232 /nfs/dbraw/zinc/21/62/32/650216232.db2.gz DTGUTGYJASHXSZ-YYIAUSFCSA-N 2 0 279.472 2.514 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925491256 635930235 /nfs/dbraw/zinc/93/02/35/635930235.db2.gz QIOSDIJTOGLCGN-IXDOHACOSA-N 2 0 287.451 2.619 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]C2CCCC2)ccc1F ZINC000115624046 636025314 /nfs/dbraw/zinc/02/53/14/636025314.db2.gz KFUNNQSPYGKLRP-UHFFFAOYSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858091936 636123330 /nfs/dbraw/zinc/12/33/30/636123330.db2.gz KKOQVRZMMUBVQS-STQMWFEESA-N 2 0 250.386 2.673 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858108412 636127807 /nfs/dbraw/zinc/12/78/07/636127807.db2.gz FSHGEVFWZGRMSB-MRXNPFEDSA-N 3 0 283.504 2.961 20 0 CFADRP C[C@@H](c1cnccn1)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211932 636505968 /nfs/dbraw/zinc/50/59/68/636505968.db2.gz CYYZUHXTMKYOFV-AWEZNQCLSA-N 2 0 284.407 2.731 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](O)C(C)(C)C)cc1 ZINC000859212430 636507194 /nfs/dbraw/zinc/50/71/94/636507194.db2.gz JSLTUHZDQCNEHM-INIZCTEOSA-N 2 0 278.440 2.587 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000859212948 636507766 /nfs/dbraw/zinc/50/77/66/636507766.db2.gz PGJAFJWOOGQWBO-LJQANCHMSA-N 2 0 298.430 2.914 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccnc(F)c3)C2)CC1 ZINC000859290693 636532723 /nfs/dbraw/zinc/53/27/23/636532723.db2.gz BEJXHJLLSYZVHF-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3ccccc3)CC1)[NH2+]2 ZINC000925492557 636610438 /nfs/dbraw/zinc/61/04/38/636610438.db2.gz HTXWHZXNDCCWSA-HYEGPXJVSA-N 2 0 299.462 2.774 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000862274359 637306657 /nfs/dbraw/zinc/30/66/57/637306657.db2.gz KRMSYRIEUSWQIN-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)C1C[NH2+]C1 ZINC000863545913 637691840 /nfs/dbraw/zinc/69/18/40/637691840.db2.gz IWRNAESQNVQEOH-SNVBAGLBSA-N 2 0 279.334 2.734 20 0 CFADRP Cc1c(Br)cccc1CN(C)C[C@@H](C)[NH3+] ZINC000863566985 637697692 /nfs/dbraw/zinc/69/76/92/637697692.db2.gz AOOFUJWIBJNVGL-SECBINFHSA-N 2 0 271.202 2.537 20 0 CFADRP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CC1(C)C ZINC000864049860 637843454 /nfs/dbraw/zinc/84/34/54/637843454.db2.gz MXTVKQKVLWGVNA-LBPRGKRZSA-N 2 0 264.438 2.872 20 0 CFADRP C[N@@H+]1C[C@@]2(C)CN(c3cc[nH+]cc3C(F)(F)F)C[C@@]2(C)C1 ZINC000864090400 637870660 /nfs/dbraw/zinc/87/06/60/637870660.db2.gz CXENCEWDFHHUGS-OKILXGFUSA-N 2 0 299.340 2.878 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)c21 ZINC000925493537 638151849 /nfs/dbraw/zinc/15/18/49/638151849.db2.gz QCYYGKSJPCZYBG-CVEARBPZSA-N 2 0 283.419 2.878 20 0 CFADRP C[NH+](C)C1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865439023 638335235 /nfs/dbraw/zinc/33/52/35/638335235.db2.gz JZNLRMULDYJTIW-UHFFFAOYSA-N 2 0 273.302 2.631 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865447975 638341512 /nfs/dbraw/zinc/34/15/12/638341512.db2.gz VJGAJDGEORVBND-WDEREUQCSA-N 2 0 285.313 2.561 20 0 CFADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865503398 638382070 /nfs/dbraw/zinc/38/20/70/638382070.db2.gz WQWHUTJNVGGCGV-JTQLQIEISA-N 2 0 273.302 2.631 20 0 CFADRP CN(CC1CC[NH+](C)CC1)c1cc[nH+]cc1C(F)(F)F ZINC000865508705 638385967 /nfs/dbraw/zinc/38/59/67/638385967.db2.gz RFADIUJNKCMOPG-UHFFFAOYSA-N 2 0 287.329 2.878 20 0 CFADRP COc1cncc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1 ZINC000865716854 638531461 /nfs/dbraw/zinc/53/14/61/638531461.db2.gz GCNHHHYZOWHBOZ-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1nn(C)c(C)c1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865715299 638531636 /nfs/dbraw/zinc/53/16/36/638531636.db2.gz NTPKMOMGOWIYLL-UHFFFAOYSA-N 2 0 292.471 2.637 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000865716928 638531840 /nfs/dbraw/zinc/53/18/40/638531840.db2.gz IMDKRSCXHCOIMK-QZTJIDSGSA-N 3 0 293.499 2.713 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H]2CCCOC2)CC1 ZINC000865717097 638532722 /nfs/dbraw/zinc/53/27/22/638532722.db2.gz OGGFYPKGXUFLHR-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2)CC1(C)C ZINC000865725989 638537496 /nfs/dbraw/zinc/53/74/96/638537496.db2.gz RYIZODMHQKGUIB-STQMWFEESA-N 2 0 256.459 2.735 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1(C)C ZINC000865759968 638559066 /nfs/dbraw/zinc/55/90/66/638559066.db2.gz WJONQMGOHGUKSM-OWCLPIDISA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000865764470 638561042 /nfs/dbraw/zinc/56/10/42/638561042.db2.gz AZRHSMGHNAZJIV-UHFFFAOYSA-N 2 0 290.455 2.646 20 0 CFADRP Cc1nc(F)ccc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765267 638561824 /nfs/dbraw/zinc/56/18/24/638561824.db2.gz OJAAOZNHPOKOSB-UHFFFAOYSA-N 2 0 279.403 2.882 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000865764983 638561911 /nfs/dbraw/zinc/56/19/11/638561911.db2.gz HKIPMGDSHAQWMT-UHFFFAOYSA-N 2 0 265.376 2.573 20 0 CFADRP CC(C)C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773746 638564897 /nfs/dbraw/zinc/56/48/97/638564897.db2.gz IJKNOQPDBIJYQQ-UHFFFAOYSA-N 2 0 260.425 2.896 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)CC1(C)C ZINC000865776683 638566949 /nfs/dbraw/zinc/56/69/49/638566949.db2.gz GNUAVDWJRBVXKJ-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000866235183 638776653 /nfs/dbraw/zinc/77/66/53/638776653.db2.gz YHYZAFNOAMMYET-KRWDZBQOSA-N 2 0 290.451 2.628 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000866259583 638782503 /nfs/dbraw/zinc/78/25/03/638782503.db2.gz CWOGHGKVFCVDFZ-HNNXBMFYSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000866283422 638789078 /nfs/dbraw/zinc/78/90/78/638789078.db2.gz XYCPPSFCTVJKBD-OIISXLGYSA-N 2 0 275.440 2.865 20 0 CFADRP CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000866366719 638805979 /nfs/dbraw/zinc/80/59/79/638805979.db2.gz AOPQZDRIDJIPIQ-UCMJJCQDSA-N 2 0 273.424 2.994 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000866467664 638826033 /nfs/dbraw/zinc/82/60/33/638826033.db2.gz NCCMGBOLXAMKNK-WBVHZDCISA-N 3 0 281.488 2.569 20 0 CFADRP COC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000866467240 638826114 /nfs/dbraw/zinc/82/61/14/638826114.db2.gz AWJLUXUZLKAXLJ-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCSC2)CC1 ZINC000866467837 638826154 /nfs/dbraw/zinc/82/61/54/638826154.db2.gz RRHCQYVXNLPQEJ-AWEZNQCLSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000866467545 638826228 /nfs/dbraw/zinc/82/62/28/638826228.db2.gz JVPMAFBMMONQRE-INIZCTEOSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000866468586 638826647 /nfs/dbraw/zinc/82/66/47/638826647.db2.gz GGXHCOOXIYPSLO-INIZCTEOSA-N 2 0 290.455 2.818 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2)[C@@H]2CCC[C@@H]21 ZINC000866479922 638827872 /nfs/dbraw/zinc/82/78/72/638827872.db2.gz AWGCOVHFGJTPNN-AJNGGQMLSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517324 638834452 /nfs/dbraw/zinc/83/44/52/638834452.db2.gz GWLCRNRQTHTNBN-HSBZDZAISA-N 2 0 276.465 2.930 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)n(C)n1 ZINC000866518335 638834521 /nfs/dbraw/zinc/83/45/21/638834521.db2.gz XOCRZRLRZKVKIZ-VQCLRJIVSA-N 2 0 278.444 2.642 20 0 CFADRP Cn1ccnc1[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)C1CC1 ZINC000866517047 638834555 /nfs/dbraw/zinc/83/45/55/638834555.db2.gz VGPVLNFFTISUSZ-ISXOHVOVSA-N 2 0 290.455 2.724 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC000866623747 638857264 /nfs/dbraw/zinc/85/72/64/638857264.db2.gz XJVIMQYOMYUCRA-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)nc1Cl ZINC000866661091 638862348 /nfs/dbraw/zinc/86/23/48/638862348.db2.gz LNANPZUWAIZNSQ-CYBMUJFWSA-N 2 0 269.820 2.849 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@H](C)CC(C)(C)C)CC1 ZINC000866667742 638863585 /nfs/dbraw/zinc/86/35/85/638863585.db2.gz XJSJIAJXEGDTBD-CQSZACIVSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)(C)n1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866705782 638868116 /nfs/dbraw/zinc/86/81/16/638868116.db2.gz AZSSETYTXYUFTL-QGZVFWFLSA-N 2 0 292.471 2.835 20 0 CFADRP [NH3+]CCCCCCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000866721758 638870295 /nfs/dbraw/zinc/87/02/95/638870295.db2.gz YRJFZFYXQHTQBP-OAHLLOKOSA-N 2 0 275.440 2.533 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000121993605 638918880 /nfs/dbraw/zinc/91/88/80/638918880.db2.gz AHTXAFUAPKPZSK-HIFRSBDPSA-N 2 0 264.388 2.688 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000123727124 641393284 /nfs/dbraw/zinc/39/32/84/641393284.db2.gz JAYVVTFQJXBDLD-MRXNPFEDSA-N 2 0 289.423 2.594 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1CCCOC1 ZINC000872017244 641547900 /nfs/dbraw/zinc/54/79/00/641547900.db2.gz XMJKTKWEXOQBBP-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872022250 641552234 /nfs/dbraw/zinc/55/22/34/641552234.db2.gz IQLGNFZMAVMPAX-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H](CN[C@H](C)c1cc(O)ccc1F)C[NH+]1CCCC1 ZINC000872024679 641555756 /nfs/dbraw/zinc/55/57/56/641555756.db2.gz COPHFABUXIFZKI-CHWSQXEVSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(O)c1F ZINC000872025884 641556608 /nfs/dbraw/zinc/55/66/08/641556608.db2.gz VIOMLRBEQZUSJS-QWHCGFSZSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000872035287 641567083 /nfs/dbraw/zinc/56/70/83/641567083.db2.gz VRGWANMKPHLTTE-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000872073965 641605674 /nfs/dbraw/zinc/60/56/74/641605674.db2.gz ULQXQDXOFMCPTC-GHMZBOCLSA-N 2 0 254.340 2.895 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCOC2(CCCC2)C1)C1CC1 ZINC000872077843 641610576 /nfs/dbraw/zinc/61/05/76/641610576.db2.gz MLLSJDREQCRQSZ-HNNXBMFYSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872082924 641616800 /nfs/dbraw/zinc/61/68/00/641616800.db2.gz DXKQTIPRTDUIQH-BYNSBNAKSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000872117760 641648345 /nfs/dbraw/zinc/64/83/45/641648345.db2.gz VHJARDBREWSCID-AWEZNQCLSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000872128608 641656809 /nfs/dbraw/zinc/65/68/09/641656809.db2.gz UMJVUSHAAZRUHA-IHRRRGAJSA-N 2 0 296.455 2.569 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC000872134517 641662780 /nfs/dbraw/zinc/66/27/80/641662780.db2.gz WSUYLLQJZCHBEO-ULQDDVLXSA-N 2 0 290.451 2.961 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)c1ccccc1 ZINC000872136541 641665313 /nfs/dbraw/zinc/66/53/13/641665313.db2.gz LZBJRKKUHISKFM-QZTJIDSGSA-N 2 0 290.451 2.961 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143668 641669905 /nfs/dbraw/zinc/66/99/05/641669905.db2.gz VXRWDNJIXSMZJW-BRWVUGGUSA-N 2 0 292.467 2.657 20 0 CFADRP Clc1ncsc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000872142979 641670077 /nfs/dbraw/zinc/67/00/77/641670077.db2.gz IDQWATLSHHBIDL-QWRGUYRKSA-N 2 0 285.844 2.618 20 0 CFADRP FC(F)(F)c1coc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000872142963 641670384 /nfs/dbraw/zinc/67/03/84/641670384.db2.gz GLDQNZFNBVYGDI-UHFFFAOYSA-N 2 0 288.313 2.874 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000872145276 641672324 /nfs/dbraw/zinc/67/23/24/641672324.db2.gz QZZQCSJWDQEZHK-IRXDYDNUSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(F)(F)F)nc1 ZINC000872154896 641676344 /nfs/dbraw/zinc/67/63/44/641676344.db2.gz DQPJSSRWWVMCDP-WDEREUQCSA-N 2 0 287.329 2.751 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCn2cccn2)C1)C1CCCC1 ZINC000872157298 641676727 /nfs/dbraw/zinc/67/67/27/641676727.db2.gz OIPSJVDXNFQMKX-RDJZCZTQSA-N 2 0 290.455 2.503 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000872250787 641718069 /nfs/dbraw/zinc/71/80/69/641718069.db2.gz BRHHWMKQAGWUCC-INIZCTEOSA-N 2 0 274.408 2.585 20 0 CFADRP CC[NH+]1CCC(CNc2cc[nH+]cc2C2CC2)CC1 ZINC000872420461 641805544 /nfs/dbraw/zinc/80/55/44/641805544.db2.gz GVMHJZLWJMKTGG-UHFFFAOYSA-N 2 0 259.397 2.525 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1Cl ZINC000872779623 641933461 /nfs/dbraw/zinc/93/34/61/641933461.db2.gz HLZZBHMUTYWHJR-NEPJUHHUSA-N 2 0 265.788 2.716 20 0 CFADRP c1cnc2cccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000873012015 641984740 /nfs/dbraw/zinc/98/47/40/641984740.db2.gz AQSORZBRHURRDY-CQSZACIVSA-N 2 0 281.403 2.809 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873015837 641985232 /nfs/dbraw/zinc/98/52/32/641985232.db2.gz ZCZKMQODMAVGLJ-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873015838 641985631 /nfs/dbraw/zinc/98/56/31/641985631.db2.gz ZCZKMQODMAVGLJ-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3ncccc23)C1 ZINC000873133288 642024352 /nfs/dbraw/zinc/02/43/52/642024352.db2.gz PARKNLGZXDBWHF-OTVXOJSOSA-N 2 0 269.392 2.665 20 0 CFADRP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1Cc2ccccc2C1 ZINC000873208707 642067881 /nfs/dbraw/zinc/06/78/81/642067881.db2.gz SWUTVRXLOGHNIB-UHFFFAOYSA-N 2 0 298.455 2.993 20 0 CFADRP C[C@@H](c1cccnc1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209495 642069156 /nfs/dbraw/zinc/06/91/56/642069156.db2.gz NICITPLGKDXDMG-LBPRGKRZSA-N 2 0 287.432 2.982 20 0 CFADRP [NH3+][C@@H]1C[C@H]1c1ccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000873216423 642071513 /nfs/dbraw/zinc/07/15/13/642071513.db2.gz RPYBUSPSAMEJDP-QXDIGNSFSA-N 2 0 285.435 2.834 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000873219536 642072928 /nfs/dbraw/zinc/07/29/28/642072928.db2.gz KERJLTGUISKDMC-ONWVLEABSA-N 3 0 293.499 2.760 20 0 CFADRP C[C@@H]([NH2+]Cc1cncc2ccccc21)C1CC[NH2+]CC1 ZINC000873221295 642073685 /nfs/dbraw/zinc/07/36/85/642073685.db2.gz ORPVWTRHFXLZGB-CYBMUJFWSA-N 2 0 269.392 2.713 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873220784 642073781 /nfs/dbraw/zinc/07/37/81/642073781.db2.gz SZMPQGXCXAUPCL-GJZGRUSLSA-N 2 0 290.451 2.994 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221406 642074171 /nfs/dbraw/zinc/07/41/71/642074171.db2.gz JJNTUJFSCXAKIC-CYBMUJFWSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1OC ZINC000873221979 642075616 /nfs/dbraw/zinc/07/56/16/642075616.db2.gz VIDHGBKOSRDBDZ-CYBMUJFWSA-N 2 0 292.423 2.572 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873223788 642076667 /nfs/dbraw/zinc/07/66/67/642076667.db2.gz SFHNORKJQQVVMS-AWEZNQCLSA-N 2 0 276.424 2.953 20 0 CFADRP COc1ccccc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000873223732 642076773 /nfs/dbraw/zinc/07/67/73/642076773.db2.gz RWKUPAJNQQJOEQ-KRWDZBQOSA-N 2 0 276.424 2.892 20 0 CFADRP COCCC1([NH2+]CC2CCCCCC2)CC[NH2+]CC1 ZINC000873225370 642077534 /nfs/dbraw/zinc/07/75/34/642077534.db2.gz WYRRHUUCMQHBST-UHFFFAOYSA-N 2 0 268.445 2.705 20 0 CFADRP COCCC1([NH2+]C[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000873225126 642077995 /nfs/dbraw/zinc/07/79/95/642077995.db2.gz NVXOLFFXYGCVQI-OAHLLOKOSA-N 2 0 276.424 2.538 20 0 CFADRP COCCC1([NH2+]C[C@@H](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000873224662 642078104 /nfs/dbraw/zinc/07/81/04/642078104.db2.gz FJAGJRJFAISHJO-INIZCTEOSA-N 2 0 290.451 2.614 20 0 CFADRP COCCC1([NH2+]Cc2cccc(C3CC3)c2)CC[NH2+]CC1 ZINC000873225569 642079189 /nfs/dbraw/zinc/07/91/89/642079189.db2.gz TUHBYXCORDTYFT-UHFFFAOYSA-N 2 0 288.435 2.812 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH2+]1 ZINC000873225570 642079273 /nfs/dbraw/zinc/07/92/73/642079273.db2.gz TUQKTNZFQMJIDR-DZGCQCFKSA-N 2 0 271.408 2.988 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+]2Cc3ccccc3[C@H](C)C2)CC[NH2+]1 ZINC000873228846 642079502 /nfs/dbraw/zinc/07/95/02/642079502.db2.gz XHVVKBHCFSTANR-RBSFLKMASA-N 2 0 258.409 2.994 20 0 CFADRP Cc1cccn2c(C[N@H+](C)CCCCCC[NH3+])cnc12 ZINC000873231292 642085129 /nfs/dbraw/zinc/08/51/29/642085129.db2.gz CWMAJVRAJCMUKF-UHFFFAOYSA-N 2 0 274.412 2.594 20 0 CFADRP Cc1ccncc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232891 642086346 /nfs/dbraw/zinc/08/63/46/642086346.db2.gz QEOJUGCVMASJGA-INIZCTEOSA-N 2 0 273.424 2.792 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873232396 642086469 /nfs/dbraw/zinc/08/64/69/642086469.db2.gz YLXUUEGPEYSYHB-LUKYLMHMSA-N 2 0 256.393 2.664 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000873242773 642092061 /nfs/dbraw/zinc/09/20/61/642092061.db2.gz SLRZOKHOGPACEU-OAHLLOKOSA-N 3 0 269.477 2.604 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000873242163 642092235 /nfs/dbraw/zinc/09/22/35/642092235.db2.gz MIYJDTCXRGQVAY-IRXDYDNUSA-N 3 0 281.488 2.747 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000873248138 642094197 /nfs/dbraw/zinc/09/41/97/642094197.db2.gz AEORLUZEZJTNNS-KHCOKFHASA-N 3 0 287.451 2.984 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248648 642095840 /nfs/dbraw/zinc/09/58/40/642095840.db2.gz CWFFALNBFPODNF-CAOSSQGBSA-N 2 0 273.424 2.743 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000873249120 642095930 /nfs/dbraw/zinc/09/59/30/642095930.db2.gz IUTUGAGBYZFKKD-JKIFEVAISA-N 2 0 296.418 2.577 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873249679 642096535 /nfs/dbraw/zinc/09/65/35/642096535.db2.gz MOSMOKOAFFCMEE-BBWFWOEESA-N 2 0 276.424 2.555 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000873250484 642097200 /nfs/dbraw/zinc/09/72/00/642097200.db2.gz GBAFXOPVIVJSRR-YVECIDJPSA-N 2 0 276.346 2.861 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000873251237 642098241 /nfs/dbraw/zinc/09/82/41/642098241.db2.gz KPEMMAFTPCNHSH-MJEQTWJJSA-N 2 0 286.419 2.716 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253705 642099659 /nfs/dbraw/zinc/09/96/59/642099659.db2.gz CSLQSNNOZFFYDR-OVZMXSCWSA-N 2 0 262.372 2.776 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2ccccc2n1 ZINC000873255081 642101056 /nfs/dbraw/zinc/10/10/56/642101056.db2.gz COIJMDBAUWLYOJ-OBJOEFQTSA-N 2 0 255.365 2.623 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873255906 642101740 /nfs/dbraw/zinc/10/17/40/642101740.db2.gz KFPQGBVYRJWFJQ-OUJBWJOFSA-N 2 0 283.213 2.837 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000873255526 642101828 /nfs/dbraw/zinc/10/18/28/642101828.db2.gz HEFZKPYIAUIURH-IHRRRGAJSA-N 2 0 268.351 2.580 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000873257012 642102850 /nfs/dbraw/zinc/10/28/50/642102850.db2.gz CSZJQGSUKJEQAG-IRUJWGPZSA-N 2 0 266.385 2.690 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000873258848 642103484 /nfs/dbraw/zinc/10/34/84/642103484.db2.gz VSXILWUGHCNIJV-GPCCPHFNSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(Br)c1 ZINC000873258517 642103520 /nfs/dbraw/zinc/10/35/20/642103520.db2.gz QWHAQLUQKQHAEL-KWBADKCTSA-N 2 0 283.213 2.837 20 0 CFADRP Cc1cc([C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C2CC2)ccc1F ZINC000873258212 642103768 /nfs/dbraw/zinc/10/37/68/642103768.db2.gz XXIRPYDVOKJMCE-PJODQICGSA-N 2 0 262.372 2.912 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259059 642104310 /nfs/dbraw/zinc/10/43/10/642104310.db2.gz YHLVMEHRASJQEJ-JTNHKYCSSA-N 2 0 268.351 2.613 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000873259132 642104523 /nfs/dbraw/zinc/10/45/23/642104523.db2.gz ZTTWJZVAPXKIBQ-WFBYXXMGSA-N 2 0 295.224 2.763 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000873259073 642104652 /nfs/dbraw/zinc/10/46/52/642104652.db2.gz YMYGYHTUPAAWSF-YCEIQTCASA-N 3 0 299.462 2.509 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260892 642105382 /nfs/dbraw/zinc/10/53/82/642105382.db2.gz JNNCLTVJQUWLTJ-VGAPYMQISA-N 2 0 288.435 2.883 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873261301 642105502 /nfs/dbraw/zinc/10/55/02/642105502.db2.gz NCULWOQSIKLSNK-MJXUCMMTSA-N 2 0 286.419 2.890 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1OC ZINC000873262668 642106296 /nfs/dbraw/zinc/10/62/96/642106296.db2.gz BCVRZVWMOIQPQQ-QRJUGERDSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc2ccccc2n1C ZINC000873265297 642108285 /nfs/dbraw/zinc/10/82/85/642108285.db2.gz UVBZSWPHOHPPSI-APIJFGDWSA-N 2 0 298.434 2.755 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265696 642109099 /nfs/dbraw/zinc/10/90/99/642109099.db2.gz WXHSXDLFVRTAHK-QRJUGERDSA-N 2 0 250.430 2.931 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c(C)n1 ZINC000873267726 642110484 /nfs/dbraw/zinc/11/04/84/642110484.db2.gz INDJZXXQCWGLIE-TZMCWYRMSA-N 2 0 261.413 2.737 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000873267824 642110545 /nfs/dbraw/zinc/11/05/45/642110545.db2.gz KHAKVGWIPJTAGL-NXEZZACHSA-N 2 0 267.442 2.799 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873269939 642111903 /nfs/dbraw/zinc/11/19/03/642111903.db2.gz MSEYUDZHMQRADL-MNOVXSKESA-N 2 0 297.830 2.782 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000873269435 642111935 /nfs/dbraw/zinc/11/19/35/642111935.db2.gz HEQVNGIIKFWFKM-CABCVRRESA-N 2 0 298.434 2.911 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cnn1C(C)C ZINC000873271639 642112575 /nfs/dbraw/zinc/11/25/75/642112575.db2.gz KQXMOGBDINRWGD-STQMWFEESA-N 2 0 278.444 2.811 20 0 CFADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CC[NH2+]CC1 ZINC000873271198 642112714 /nfs/dbraw/zinc/11/27/14/642112714.db2.gz FBPVSFSFNDEOEK-KBXCAEBGSA-N 2 0 272.436 2.985 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873270460 642112745 /nfs/dbraw/zinc/11/27/45/642112745.db2.gz UWTYTNVGNRKSSJ-SUMWQHHRSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000873271030 642112925 /nfs/dbraw/zinc/11/29/25/642112925.db2.gz CROGVGGLIAVZOD-QWHCGFSZSA-N 2 0 274.408 2.756 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc2cnccc2o1 ZINC000873274922 642114997 /nfs/dbraw/zinc/11/49/97/642114997.db2.gz HSTPENVHTASNJV-WCFLWFBJSA-N 2 0 259.353 2.748 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000873280900 642116896 /nfs/dbraw/zinc/11/68/96/642116896.db2.gz DWPLWRLFGPZGLE-ZBFHGGJFSA-N 2 0 278.440 2.597 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873281911 642117150 /nfs/dbraw/zinc/11/71/50/642117150.db2.gz CQIYWIQMVKQAHU-LBPRGKRZSA-N 2 0 290.436 2.812 20 0 CFADRP Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000873289325 642122365 /nfs/dbraw/zinc/12/23/65/642122365.db2.gz HIAMOFQZFYORAJ-IXDOHACOSA-N 2 0 291.414 2.808 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290941 642122708 /nfs/dbraw/zinc/12/27/08/642122708.db2.gz CKICQEZVPOZIPK-ZACQAIPSSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291045 642122806 /nfs/dbraw/zinc/12/28/06/642122806.db2.gz IRBJYLBSNJATJK-HNNXBMFYSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290940 642123138 /nfs/dbraw/zinc/12/31/38/642123138.db2.gz CKICQEZVPOZIPK-IXDOHACOSA-N 2 0 294.483 2.950 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCC2)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290875 642123145 /nfs/dbraw/zinc/12/31/45/642123145.db2.gz BKXWPRXYYMMTPF-HOTGVXAUSA-N 2 0 292.467 2.848 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290774 642123193 /nfs/dbraw/zinc/12/31/93/642123193.db2.gz RTQACRKEQPUCHZ-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000873293491 642124391 /nfs/dbraw/zinc/12/43/91/642124391.db2.gz KWYITTFTMCIAMD-HZPDHXFCSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293876 642125023 /nfs/dbraw/zinc/12/50/23/642125023.db2.gz RFNOKGAPAQTWMC-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000873294776 642125745 /nfs/dbraw/zinc/12/57/45/642125745.db2.gz ZXGLOJSURJCAKP-NCOADZHNSA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000873294896 642125982 /nfs/dbraw/zinc/12/59/82/642125982.db2.gz VRMAANQYKLKLSN-HIFRSBDPSA-N 2 0 294.464 2.866 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CCC[NH+](CC)CC)CC1 ZINC000019914768 642204273 /nfs/dbraw/zinc/20/42/73/642204273.db2.gz CGONXJNOAKVDOF-MRXNPFEDSA-N 3 0 283.504 2.961 20 0 CFADRP C[NH+](C)CCCCCCCNC(=[NH2+])NC1CCCC1 ZINC000195523284 650756315 /nfs/dbraw/zinc/75/63/15/650756315.db2.gz HKTRIOVQNSSXOI-UHFFFAOYSA-N 2 0 268.449 2.555 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000876758840 642996864 /nfs/dbraw/zinc/99/68/64/642996864.db2.gz NEHHUTJRMPANBU-AWEZNQCLSA-N 2 0 270.486 2.936 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000876898332 643057027 /nfs/dbraw/zinc/05/70/27/643057027.db2.gz KUOKGDIXXPIASA-GFCCVEGCSA-N 2 0 279.255 2.892 20 0 CFADRP CCCCC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000876904989 643059269 /nfs/dbraw/zinc/05/92/69/643059269.db2.gz BSKDOIHFKZKNFT-CQSZACIVSA-N 2 0 270.461 2.780 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000876964906 643084973 /nfs/dbraw/zinc/08/49/73/643084973.db2.gz VFNYIJVNQNUTNT-ZDUSSCGKSA-N 2 0 296.480 2.942 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877019862 643106058 /nfs/dbraw/zinc/10/60/58/643106058.db2.gz GUIIBVYAKMTHPN-LLVKDONJSA-N 2 0 265.228 2.502 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877020073 643106262 /nfs/dbraw/zinc/10/62/62/643106262.db2.gz KDYKMEVMOJOUKJ-RYUDHWBXSA-N 2 0 279.255 2.890 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000877036465 643114847 /nfs/dbraw/zinc/11/48/47/643114847.db2.gz RHCAWBYDFHRNQA-RMKNXTFCSA-N 2 0 288.435 2.525 20 0 CFADRP CN(C)[C@]1(C[NH2+]CC2(C)CCCC2)CCSC1 ZINC000877074667 643137582 /nfs/dbraw/zinc/13/75/82/643137582.db2.gz OWRQVCGJBQFMOR-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)OC ZINC000877113596 643157894 /nfs/dbraw/zinc/15/78/94/643157894.db2.gz CTLVWVWHOIOGLK-PRLABOORSA-N 2 0 270.461 2.758 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000877138002 643170925 /nfs/dbraw/zinc/17/09/25/643170925.db2.gz HCSWYUMAYWIWER-DJJJIMSYSA-N 2 0 288.372 2.561 20 0 CFADRP CC(C)[NH+]1CCC(CCNC(=O)CCCCCC[NH3+])CC1 ZINC000877200539 643201836 /nfs/dbraw/zinc/20/18/36/643201836.db2.gz LIZXWIFUPDBHQK-UHFFFAOYSA-N 2 0 297.487 2.522 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@@H]2CC2(Cl)Cl)CCCC1 ZINC000877348609 643245902 /nfs/dbraw/zinc/24/59/02/643245902.db2.gz KHYBBQRRRPFVEC-NSHDSACASA-N 2 0 279.255 2.892 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877521178 643325553 /nfs/dbraw/zinc/32/55/53/643325553.db2.gz SAIHVXJJNHCHBX-MNOVXSKESA-N 2 0 265.228 2.644 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000877545316 643348385 /nfs/dbraw/zinc/34/83/85/643348385.db2.gz FOPPBNNIPKLLFT-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP COc1c(C)cnc(C[NH2+]C2CCC([NH+](C)C)CC2)c1C ZINC000877596065 643387733 /nfs/dbraw/zinc/38/77/33/643387733.db2.gz MORSIACMIBAYIY-UHFFFAOYSA-N 2 0 291.439 2.669 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000877634437 643418864 /nfs/dbraw/zinc/41/88/64/643418864.db2.gz KFSVKXUHVLEQPV-IUODEOHRSA-N 2 0 268.470 2.735 20 0 CFADRP COCC[N@H+](CCCC(C)C)CC1CC[NH+](C)CC1 ZINC000877664509 643441216 /nfs/dbraw/zinc/44/12/16/643441216.db2.gz QBCFUGNZWAMUMH-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC1(Cl)Cl)CC2 ZINC000877683630 643452104 /nfs/dbraw/zinc/45/21/04/643452104.db2.gz FNCLJYJMAAPVCF-GFCCVEGCSA-N 2 0 291.266 2.988 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C3CC3)no1)CC2 ZINC000877684388 643453079 /nfs/dbraw/zinc/45/30/79/643453079.db2.gz SNLQSZRCPWQVME-UHFFFAOYSA-N 2 0 289.423 2.860 20 0 CFADRP CC[C@](C)(C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684703 643453349 /nfs/dbraw/zinc/45/33/49/643453349.db2.gz UBCLWFGHKSIXRR-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684154 643453430 /nfs/dbraw/zinc/45/34/30/643453430.db2.gz JASMWEXPJRRSFY-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP CCSCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684128 643453716 /nfs/dbraw/zinc/45/37/16/643453716.db2.gz HOJZRHYILBNLHX-UHFFFAOYSA-N 2 0 256.459 2.547 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCSC1)CC2 ZINC000877684300 643453858 /nfs/dbraw/zinc/45/38/58/643453858.db2.gz KXGKPORFBLRLGK-CQSZACIVSA-N 2 0 268.470 2.547 20 0 CFADRP CSC1(C[NH2+]CCC2CC[NH+](C(C)C)CC2)CC1 ZINC000877697645 643460919 /nfs/dbraw/zinc/46/09/19/643460919.db2.gz QBVPGLOHHNXCOX-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP CCSCC[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718635 643482148 /nfs/dbraw/zinc/48/21/48/643482148.db2.gz NNZOOWBTVIXQRQ-UHFFFAOYSA-N 2 0 292.492 2.993 20 0 CFADRP COCC[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718647 643482887 /nfs/dbraw/zinc/48/28/87/643482887.db2.gz OARUNGRPXQIBDI-INIZCTEOSA-N 2 0 290.451 2.665 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000877742675 643514983 /nfs/dbraw/zinc/51/49/83/643514983.db2.gz QKCNUQHCGRMRKS-XSLAGTTESA-N 2 0 270.420 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000877742671 643515683 /nfs/dbraw/zinc/51/56/83/643515683.db2.gz QKCNUQHCGRMRKS-VSZNYVQBSA-N 2 0 270.420 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4c3CCC4)CC[C@@H]21 ZINC000877743296 643516839 /nfs/dbraw/zinc/51/68/39/643516839.db2.gz VFAHRNASFPSXSK-AEFFLSMTSA-N 2 0 270.420 2.701 20 0 CFADRP Cc1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)nn1C ZINC000877767223 643546474 /nfs/dbraw/zinc/54/64/74/643546474.db2.gz CMOKSZKVCNZWEO-UHFFFAOYSA-N 2 0 292.471 2.528 20 0 CFADRP CC(C)C[N@@H+](Cc1cncs1)CC1CC[NH+](C)CC1 ZINC000877767606 643546930 /nfs/dbraw/zinc/54/69/30/643546930.db2.gz PEYMGBUHNYFQGG-UHFFFAOYSA-N 2 0 281.469 2.943 20 0 CFADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000878106585 643737784 /nfs/dbraw/zinc/73/77/84/643737784.db2.gz IYHYYUYCKWYBIQ-FGTMMUONSA-N 2 0 296.499 2.980 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878132858 643753559 /nfs/dbraw/zinc/75/35/59/643753559.db2.gz DCXYIHSKPHGYLQ-XWTMOSNGSA-N 2 0 292.467 2.752 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878133444 643753906 /nfs/dbraw/zinc/75/39/06/643753906.db2.gz JVBFBKMQNIYTBL-IAGOWNOFSA-N 2 0 292.467 2.753 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878159689 643767938 /nfs/dbraw/zinc/76/79/38/643767938.db2.gz RLDAUFFJDJOTEI-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP C=C/C=C\CC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000878159531 643768121 /nfs/dbraw/zinc/76/81/21/643768121.db2.gz YOLYJCSAVVZLBI-XITLMJRVSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC000878167014 643773587 /nfs/dbraw/zinc/77/35/87/643773587.db2.gz MAOMTGATYRZTNT-CQSZACIVSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000878197506 643789519 /nfs/dbraw/zinc/78/95/19/643789519.db2.gz NKZUTRYAZSSCQZ-OWCLPIDISA-N 2 0 280.456 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)O2)[C@H](C)C1 ZINC000878258844 643810461 /nfs/dbraw/zinc/81/04/61/643810461.db2.gz VVQHNRCEPTYLTH-OAGGEKHMSA-N 2 0 280.456 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCC(C)(C)O2)[C@@H](C)C1 ZINC000878258859 643811017 /nfs/dbraw/zinc/81/10/17/643811017.db2.gz WEHAOOJFWBTFCS-JYJNAYRXSA-N 2 0 282.472 2.996 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000878411716 643880711 /nfs/dbraw/zinc/88/07/11/643880711.db2.gz NLVHLXLZSAAWPM-QBYUYEEZSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](C[C@@H]1CCC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608274 643956573 /nfs/dbraw/zinc/95/65/73/643956573.db2.gz NQHZMRDOMQYCAG-QXULXFAOSA-N 2 0 280.456 2.749 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC(C)(C)CO1)C2 ZINC000878663134 643982269 /nfs/dbraw/zinc/98/22/69/643982269.db2.gz WAQNJKKRWFUULR-DOTOQJQBSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879243351 644188886 /nfs/dbraw/zinc/18/88/86/644188886.db2.gz JTNGWGDFCGHMOU-FGTMMUONSA-N 2 0 288.435 2.669 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245741 644192215 /nfs/dbraw/zinc/19/22/15/644192215.db2.gz MVTBCOKKEIGTOB-MSOLQXFVSA-N 2 0 290.451 2.916 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC1CCC(=O)CC1)CC2 ZINC000879250832 644194615 /nfs/dbraw/zinc/19/46/15/644194615.db2.gz JLSHIUKMIASLKD-UHFFFAOYSA-N 2 0 278.440 2.554 20 0 CFADRP CC[NH+](CC)CCCN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879250094 644194899 /nfs/dbraw/zinc/19/48/99/644194899.db2.gz MFZPILSICNHHBV-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC[C@@H]1CCCCO1)CC2 ZINC000879249903 644195090 /nfs/dbraw/zinc/19/50/90/644195090.db2.gz FLMPNDXCMJOUGI-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nc(CC[NH+]2CCC3(CC[NH+](C)CC3)CC2)cs1 ZINC000879249803 644195175 /nfs/dbraw/zinc/19/51/75/644195175.db2.gz BSMHBOSCYAICDR-UHFFFAOYSA-N 2 0 293.480 2.802 20 0 CFADRP Cc1ncsc1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248203 644195216 /nfs/dbraw/zinc/19/52/16/644195216.db2.gz ORLFFYNOKLODJI-UHFFFAOYSA-N 2 0 293.480 2.802 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846520 650909798 /nfs/dbraw/zinc/90/97/98/650909798.db2.gz VPHMCUYMDXMGMA-QQFBHYJXSA-N 2 0 297.487 2.519 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccccc3)CC[C@@H]21 ZINC000879570211 644328925 /nfs/dbraw/zinc/32/89/25/644328925.db2.gz AZDOIRXJQOZISI-IRXDYDNUSA-N 2 0 258.409 2.645 20 0 CFADRP CN(CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879581291 644339580 /nfs/dbraw/zinc/33/95/80/644339580.db2.gz XUIXDAVPBMIGGE-FUHWJXTLSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1nnc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000879704306 644389289 /nfs/dbraw/zinc/38/92/89/644389289.db2.gz ODOBGICZPPYTSS-UHFFFAOYSA-N 2 0 296.484 2.646 20 0 CFADRP CO[C@H]1C[C@@H](C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000879704941 644389546 /nfs/dbraw/zinc/38/95/46/644389546.db2.gz IWRMPBHHABXQDS-CALCHBBNSA-N 2 0 282.472 2.711 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CC[NH+](C)CC1 ZINC000879704624 644389723 /nfs/dbraw/zinc/38/97/23/644389723.db2.gz QPLYHUCOBSBSNB-SFHVURJKSA-N 2 0 295.515 2.771 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734248 644401460 /nfs/dbraw/zinc/40/14/60/644401460.db2.gz GYSSQGQNIDHGPG-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP Cc1csc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000880009030 644497942 /nfs/dbraw/zinc/49/79/42/644497942.db2.gz ITPMPWDFMAYVDM-KGLIPLIRSA-N 2 0 279.453 2.725 20 0 CFADRP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CCN1c1cc[nH+]cc1 ZINC000880259243 644617752 /nfs/dbraw/zinc/61/77/52/644617752.db2.gz ODBNJDGLCAXEMV-LBPRGKRZSA-N 2 0 281.350 2.637 20 0 CFADRP CC(C)SCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260944 644618453 /nfs/dbraw/zinc/61/84/53/644618453.db2.gz RKTPZHFKOUXHMO-AWEZNQCLSA-N 2 0 279.453 2.734 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262652 644618505 /nfs/dbraw/zinc/61/85/05/644618505.db2.gz RHVRNYNSPOWYRO-HUUCEWRRSA-N 2 0 282.391 2.748 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CCc2cccs2)CC1 ZINC000880472646 644727280 /nfs/dbraw/zinc/72/72/80/644727280.db2.gz WSCUFZGMEARMNF-UHFFFAOYSA-N 2 0 264.438 2.851 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000880475280 644728616 /nfs/dbraw/zinc/72/86/16/644728616.db2.gz SWUHAUVVDOZCSE-UHFFFAOYSA-N 2 0 258.356 2.592 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)c1ccccc1 ZINC000880516955 644746371 /nfs/dbraw/zinc/74/63/71/644746371.db2.gz FUKYCRVNBDMNJG-GOSISDBHSA-N 2 0 290.451 2.918 20 0 CFADRP CO[C@@H]1CC[C@@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000880517851 644748287 /nfs/dbraw/zinc/74/82/87/644748287.db2.gz XSFJOFXQNBUGPL-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000094950170 650965586 /nfs/dbraw/zinc/96/55/86/650965586.db2.gz NMMVQEFRBKVYMK-CJNGLKHVSA-N 2 0 264.388 2.797 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000128981750 644966946 /nfs/dbraw/zinc/96/69/46/644966946.db2.gz GPUJLBRCCNOJKI-PWSUYJOCSA-N 2 0 254.324 2.758 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1F ZINC000094952629 650966468 /nfs/dbraw/zinc/96/64/68/650966468.db2.gz RVROMRVZOZSFKE-GFCCVEGCSA-N 2 0 250.361 2.784 20 0 CFADRP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250082755 650971227 /nfs/dbraw/zinc/97/12/27/650971227.db2.gz LOTDKLNWBGYSDR-USXIJHARSA-N 2 0 276.399 2.879 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)CCCN2 ZINC000250216381 650972598 /nfs/dbraw/zinc/97/25/98/650972598.db2.gz OZJNLPDENABTJV-IRXDYDNUSA-N 2 0 285.435 2.761 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)CCCN2 ZINC000250216385 650972664 /nfs/dbraw/zinc/97/26/64/650972664.db2.gz OZJNLPDENABTJV-SJORKVTESA-N 2 0 285.435 2.761 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC000250386418 650974288 /nfs/dbraw/zinc/97/42/88/650974288.db2.gz XPJQSOFXVWSSSX-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP C([NH2+]C1CCC2(CCCC2)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000129432004 645193082 /nfs/dbraw/zinc/19/30/82/645193082.db2.gz UTNBDPOKTVCRSU-SJORKVTESA-N 2 0 292.467 2.942 20 0 CFADRP CCc1cc(N2CCC(C)([NH+]3CCC3)CC2)cc[nH+]1 ZINC000882962345 645531525 /nfs/dbraw/zinc/53/15/25/645531525.db2.gz QADGHYGDKKMPMC-UHFFFAOYSA-N 2 0 259.397 2.709 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000304343279 651022355 /nfs/dbraw/zinc/02/23/55/651022355.db2.gz ZKRCAWQRPJCFJM-CZUORRHYSA-N 2 0 296.842 2.647 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CNCc2nc(C(C)C)c[nH]2)C1 ZINC000883073554 645592615 /nfs/dbraw/zinc/59/26/15/645592615.db2.gz UJHKRYGSAVKVBW-HNNXBMFYSA-N 2 0 292.471 2.991 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC[NH+](C)CC1 ZINC000883122121 645613050 /nfs/dbraw/zinc/61/30/50/645613050.db2.gz BSKLJRKVZSEYBQ-QDMKHBRRSA-N 2 0 282.497 2.982 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC[NH+](C)CC1 ZINC000883122120 645613355 /nfs/dbraw/zinc/61/33/55/645613355.db2.gz BSKLJRKVZSEYBQ-FICVDOATSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000883189465 645651418 /nfs/dbraw/zinc/65/14/18/645651418.db2.gz HVTVEIFEZSYUBZ-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883215727 645670164 /nfs/dbraw/zinc/67/01/64/645670164.db2.gz FDPQYOYLQHPNOC-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC000883217192 645670817 /nfs/dbraw/zinc/67/08/17/645670817.db2.gz DHYABTNQHUGVEJ-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP CC1(C)C[C@]1(C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000883261463 645706672 /nfs/dbraw/zinc/70/66/72/645706672.db2.gz CKNQIOJDLYBJMA-MRXNPFEDSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000883416362 645808777 /nfs/dbraw/zinc/80/87/77/645808777.db2.gz SVVRQIRWHLQCBQ-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883418355 645812352 /nfs/dbraw/zinc/81/23/52/645812352.db2.gz FVHWIJLORHWVCF-ULQDDVLXSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1C[NH3+] ZINC000253185301 651039202 /nfs/dbraw/zinc/03/92/02/651039202.db2.gz HZPLSUBFHKBDJB-XJKSGUPXSA-N 2 0 288.435 2.817 20 0 CFADRP [NH3+]C1(C[NH2+]C[C@H]2CCC[C@H](c3ccccc3)O2)CCC1 ZINC000883425635 645820775 /nfs/dbraw/zinc/82/07/75/645820775.db2.gz ZGSIESWJXOGIGL-HZPDHXFCSA-N 2 0 274.408 2.768 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883428739 645822266 /nfs/dbraw/zinc/82/22/66/645822266.db2.gz BKJOIGALIXRTDP-BZUAXINKSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000883429255 645823363 /nfs/dbraw/zinc/82/33/63/645823363.db2.gz QICWWLWDZIPDBI-LSDHHAIUSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883430521 645823639 /nfs/dbraw/zinc/82/36/39/645823639.db2.gz WWUIZGCCMBDMQE-FVCCEPFGSA-N 2 0 260.372 2.788 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1)C1CCCC1 ZINC000883440880 645834766 /nfs/dbraw/zinc/83/47/66/645834766.db2.gz BTXATZDDFUBRKN-RHSMWYFYSA-N 2 0 290.455 2.572 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c(C)c1 ZINC000925481929 645993049 /nfs/dbraw/zinc/99/30/49/645993049.db2.gz OYSQUUBBYSYGCP-JKSUJKDBSA-N 2 0 258.409 2.705 20 0 CFADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000884038002 646131185 /nfs/dbraw/zinc/13/11/85/646131185.db2.gz UEEQZZNLILXJHK-BXUZGUMPSA-N 2 0 277.412 2.654 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000134006793 646265237 /nfs/dbraw/zinc/26/52/37/646265237.db2.gz DKXJDUPZIMPLMP-FRRDWIJNSA-N 2 0 256.459 2.638 20 0 CFADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000884316136 646304386 /nfs/dbraw/zinc/30/43/86/646304386.db2.gz KQJKPCRGUCSEIK-INIZCTEOSA-N 2 0 291.439 2.629 20 0 CFADRP COc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)c(Cl)c1OC ZINC000215991963 646504295 /nfs/dbraw/zinc/50/42/95/646504295.db2.gz PDCIDZUBZIPQQG-MNOVXSKESA-N 2 0 298.814 2.526 20 0 CFADRP Fc1cccc(/C=C/C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000885924188 646769716 /nfs/dbraw/zinc/76/97/16/646769716.db2.gz JXHWPPFORKPMFN-GQCTYLIASA-N 2 0 292.398 2.541 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000885924357 646769901 /nfs/dbraw/zinc/76/99/01/646769901.db2.gz OBWUDAXVCFFEFQ-OKILXGFUSA-N 2 0 292.471 2.874 20 0 CFADRP Cc1coc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000885924877 646770217 /nfs/dbraw/zinc/77/02/17/646770217.db2.gz XLLIOZNCYKTHMH-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP C[NH+](C)CCCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000885951574 646779678 /nfs/dbraw/zinc/77/96/78/646779678.db2.gz KYBVCZFHCHFUDW-VURMDHGXSA-N 2 0 250.361 2.770 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C/C=C\c1cccc(F)c1 ZINC000885954070 646781095 /nfs/dbraw/zinc/78/10/95/646781095.db2.gz MSXXHMMPEMFHSM-VGVVRCBHSA-N 2 0 250.361 2.769 20 0 CFADRP C(C1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1)[NH+]1CCCC1 ZINC000885956775 646782999 /nfs/dbraw/zinc/78/29/99/646782999.db2.gz YJRLYTFOAXMKHH-QZTJIDSGSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C/C=C/c2cccc(F)c2)CC[N@@H+]1C ZINC000886000104 646805377 /nfs/dbraw/zinc/80/53/77/646805377.db2.gz VGZJLJKHSSFDJQ-BDHHJBHZSA-N 2 0 262.372 2.911 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)cn2)C1 ZINC000886142369 646892018 /nfs/dbraw/zinc/89/20/18/646892018.db2.gz AQZNHSXLOOSWBF-GFCCVEGCSA-N 2 0 267.804 2.557 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)CC1 ZINC000886171891 646906725 /nfs/dbraw/zinc/90/67/25/646906725.db2.gz QUDXTLXFWQRIGS-USXIJHARSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886314451 646965783 /nfs/dbraw/zinc/96/57/83/646965783.db2.gz YPTCTQZCVMDYOO-SJLPKXTDSA-N 2 0 292.467 2.753 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000219321989 646994903 /nfs/dbraw/zinc/99/49/03/646994903.db2.gz AFKPPCJLQPKILO-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000886503846 647022555 /nfs/dbraw/zinc/02/25/55/647022555.db2.gz HTYQDXXGZXKXDY-ARFHVFGLSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000886507687 647022899 /nfs/dbraw/zinc/02/28/99/647022899.db2.gz VGTWRNQYKQYKGQ-NVXWUHKLSA-N 2 0 292.471 2.829 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886522067 647026973 /nfs/dbraw/zinc/02/69/73/647026973.db2.gz BFWFUDCMXNPLPX-MRXNPFEDSA-N 2 0 273.424 2.781 20 0 CFADRP C[C@@H](O)C[C@@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886531209 647032493 /nfs/dbraw/zinc/03/24/93/647032493.db2.gz YAQJTVXBYWJCCO-NUWOQIAWSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1CCN(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886534199 647034064 /nfs/dbraw/zinc/03/40/64/647034064.db2.gz CXRPJTKEWWQIDQ-WWDZGPRUSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCCO1 ZINC000886538969 647037037 /nfs/dbraw/zinc/03/70/37/647037037.db2.gz QTPHXGYOHQAZQO-OFLPRAFFSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886543932 647040588 /nfs/dbraw/zinc/04/05/88/647040588.db2.gz YBTWXKYSYBSSQS-NXHRZFHOSA-N 2 0 290.451 2.771 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@@H]1O ZINC000886594672 647059527 /nfs/dbraw/zinc/05/95/27/647059527.db2.gz RGKINZZLCJBWLM-DGNOSDGRSA-N 2 0 280.456 2.533 20 0 CFADRP C/C=C/C[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594372 647059660 /nfs/dbraw/zinc/05/96/60/647059660.db2.gz LFNLQNHPWLSAEI-PXIZFIGSSA-N 2 0 280.456 2.700 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000886594514 647059750 /nfs/dbraw/zinc/05/97/50/647059750.db2.gz OHVQRPWHIIUZND-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP Cc1nnsc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886614511 647067785 /nfs/dbraw/zinc/06/77/85/647067785.db2.gz ZFEWUGRZBBUWRV-UHFFFAOYSA-N 2 0 294.468 2.733 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCc4cccnc43)ccc12 ZINC000886623966 647074094 /nfs/dbraw/zinc/07/40/94/647074094.db2.gz UUWRAGLGRKCQIZ-OAHLLOKOSA-N 2 0 264.332 2.506 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCc2cccnc21)C1CC1 ZINC000886624156 647074518 /nfs/dbraw/zinc/07/45/18/647074518.db2.gz YPLPROBKUFWEAA-HNNXBMFYSA-N 2 0 259.397 2.533 20 0 CFADRP CCn1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886625388 647075293 /nfs/dbraw/zinc/07/52/93/647075293.db2.gz POAQABBRROVJPD-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000886694639 647115315 /nfs/dbraw/zinc/11/53/15/647115315.db2.gz ZZTVVTDQIWVLEG-XOVYBCQFSA-N 2 0 262.441 2.741 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCOC(C)C)CC1 ZINC000886710792 647118920 /nfs/dbraw/zinc/11/89/20/647118920.db2.gz GJWTWUGJOPWLBL-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1([NH+]2CCC2)CCN(Cc2cnccc2C)CC1 ZINC000886715847 647120133 /nfs/dbraw/zinc/12/01/33/647120133.db2.gz GLNHIALHPJQRKK-UHFFFAOYSA-N 2 0 273.424 2.840 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](CC(C)C)OC)CC1 ZINC000886717457 647120878 /nfs/dbraw/zinc/12/08/78/647120878.db2.gz AHWJBDPSZPJZBJ-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1 ZINC000886718128 647121813 /nfs/dbraw/zinc/12/18/13/647121813.db2.gz RHKGRDSGQDAMGQ-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838359 647158592 /nfs/dbraw/zinc/15/85/92/647158592.db2.gz VWXZAHYUFBMDML-BRSBDYLESA-N 2 0 292.467 2.656 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000886839641 647159211 /nfs/dbraw/zinc/15/92/11/647159211.db2.gz JCTCLGZSVICVBB-YESZJQIVSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])COCc1ccccc1 ZINC000886840167 647159291 /nfs/dbraw/zinc/15/92/91/647159291.db2.gz VEYZPKSGCQQIKN-DJIMGWMZSA-N 2 0 276.424 2.699 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000886840288 647159709 /nfs/dbraw/zinc/15/97/09/647159709.db2.gz YPZRHONHFJCDPW-ZJPYXAASSA-N 2 0 292.467 2.641 20 0 CFADRP Fc1cccc(F)c1[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000886859907 647162680 /nfs/dbraw/zinc/16/26/80/647162680.db2.gz JQMOKTIPZJGKRM-STQMWFEESA-N 2 0 280.362 2.754 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886867590 647163893 /nfs/dbraw/zinc/16/38/93/647163893.db2.gz IWHMFOYLCKMUSR-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886871779 647164880 /nfs/dbraw/zinc/16/48/80/647164880.db2.gz ATWRUDNWDIOAIZ-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000886874193 647165410 /nfs/dbraw/zinc/16/54/10/647165410.db2.gz INPNJAMNHHQMGP-KBPBESRZSA-N 2 0 272.383 2.887 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC000886874073 647165731 /nfs/dbraw/zinc/16/57/31/647165731.db2.gz FXVUMGPYDOCIQS-GOSISDBHSA-N 2 0 287.451 2.972 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876058 647166405 /nfs/dbraw/zinc/16/64/05/647166405.db2.gz BOYUZQKZEDQYAG-JKSUJKDBSA-N 2 0 278.440 2.554 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)O1 ZINC000886876104 647166507 /nfs/dbraw/zinc/16/65/07/647166507.db2.gz INNGFSNWMJAVAK-DOTOQJQBSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886975300 647186431 /nfs/dbraw/zinc/18/64/31/647186431.db2.gz IEMTYLBYKGZSRZ-OAHLLOKOSA-N 2 0 280.456 2.536 20 0 CFADRP Cc1cccc(CC[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)n1 ZINC000887134814 647223722 /nfs/dbraw/zinc/22/37/22/647223722.db2.gz QJZWFWDYLXYHJO-MRXNPFEDSA-N 2 0 296.418 2.538 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCC(=O)C(C)(C)C ZINC000887134566 647223788 /nfs/dbraw/zinc/22/37/88/647223788.db2.gz LWHJYFBYPGXNCO-CQSZACIVSA-N 2 0 289.423 2.597 20 0 CFADRP CC(C)SCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134252 647223927 /nfs/dbraw/zinc/22/39/27/647223927.db2.gz GESSTYMFIJDWIN-CQSZACIVSA-N 2 0 279.453 2.734 20 0 CFADRP C=C/C=C/CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136329 647224475 /nfs/dbraw/zinc/22/44/75/647224475.db2.gz QEKXFKAVOJMGAM-MBVDDHJVSA-N 2 0 257.381 2.724 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000300674368 647347349 /nfs/dbraw/zinc/34/73/49/647347349.db2.gz QTSUHFNGBBOMCH-NJVJYBDUSA-N 2 0 268.470 2.781 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925494836 647845647 /nfs/dbraw/zinc/84/56/47/647845647.db2.gz LKNHWYXJRBEAQZ-OAGGEKHMSA-N 2 0 281.488 2.602 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925495101 647849481 /nfs/dbraw/zinc/84/94/81/647849481.db2.gz MZOQADBZOCSPRI-KBPBESRZSA-N 2 0 292.423 2.699 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000925495281 647854415 /nfs/dbraw/zinc/85/44/15/647854415.db2.gz QCCLNDLXXSSJQW-RBSFLKMASA-N 2 0 296.842 2.869 20 0 CFADRP CN(CCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925495943 647867565 /nfs/dbraw/zinc/86/75/65/647867565.db2.gz SUNUXWASNGDCTQ-IRXDYDNUSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000924525905 647987486 /nfs/dbraw/zinc/98/74/86/647987486.db2.gz HKHPITZNQJWSQN-OAHLLOKOSA-N 3 0 291.483 2.987 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1nonc1C ZINC000924527590 647987566 /nfs/dbraw/zinc/98/75/66/647987566.db2.gz KIUXAISXVHQVPX-NWDGAFQWSA-N 2 0 268.405 2.539 20 0 CFADRP CC[NH+]1CCC(N[C@H](C)c2ccnn2C2CCC2)CC1 ZINC000924568976 647996773 /nfs/dbraw/zinc/99/67/73/647996773.db2.gz CWXMSQDLPAMDMC-CYBMUJFWSA-N 2 0 276.428 2.743 20 0 CFADRP CC1(C)CC(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC(C)(C)[NH2+]1 ZINC000924569926 647997840 /nfs/dbraw/zinc/99/78/40/647997840.db2.gz LSCLYQHXRZLTFW-HZPDHXFCSA-N 2 0 293.499 2.902 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCC[C@H]3C)C2)CO1 ZINC000924574483 647998599 /nfs/dbraw/zinc/99/85/99/647998599.db2.gz YSDUVEWVZMBKRE-NUWOQIAWSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(C2CCC2)c1 ZINC000924650055 648019340 /nfs/dbraw/zinc/01/93/40/648019340.db2.gz PODQDINJACSQMF-KGLIPLIRSA-N 2 0 288.439 2.743 20 0 CFADRP Cc1nonc1[C@@H](C)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924683618 648025891 /nfs/dbraw/zinc/02/58/91/648025891.db2.gz GYUZGDWKWLIDPF-HZSPNIEDSA-N 2 0 294.443 2.787 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccnnc1 ZINC000924686458 648026343 /nfs/dbraw/zinc/02/63/43/648026343.db2.gz LQNHIWLBJXFXFW-HUUCEWRRSA-N 2 0 276.428 2.782 20 0 CFADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000924684060 648027023 /nfs/dbraw/zinc/02/70/23/648027023.db2.gz ISSTZFYTSSFOGW-BQJWPVKWSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924689006 648028031 /nfs/dbraw/zinc/02/80/31/648028031.db2.gz WEDLBDURBIPWML-KFWWJZLASA-N 2 0 291.443 2.528 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924716652 648034621 /nfs/dbraw/zinc/03/46/21/648034621.db2.gz JCBHCAJEQBQSCH-KDOFPFPSSA-N 2 0 289.467 2.739 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924722752 648035802 /nfs/dbraw/zinc/03/58/02/648035802.db2.gz UUGKULOVXYAWHL-BRWVUGGUSA-N 2 0 282.472 2.759 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924754076 648041502 /nfs/dbraw/zinc/04/15/02/648041502.db2.gz SODGOASYJOEJLT-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2cccnc21 ZINC000924857518 648060772 /nfs/dbraw/zinc/06/07/72/648060772.db2.gz SJPQGAHMURTFQR-BYICEURKSA-N 2 0 281.403 2.665 20 0 CFADRP CC[N@@H+]1CCC[C@@H](CNC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924863765 648062350 /nfs/dbraw/zinc/06/23/50/648062350.db2.gz YWPKMPPSFUSGRV-KRWDZBQOSA-N 3 0 295.515 2.818 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCc2nccs2)CC1 ZINC000924876554 648064623 /nfs/dbraw/zinc/06/46/23/648064623.db2.gz KKPCKGMPJQXIRR-UHFFFAOYSA-N 2 0 281.469 2.786 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(OC)ccn2)CC1 ZINC000924955257 648079067 /nfs/dbraw/zinc/07/90/67/648079067.db2.gz MOXTWPMSWHGVCA-AWEZNQCLSA-N 2 0 291.439 2.863 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960043 648080647 /nfs/dbraw/zinc/08/06/47/648080647.db2.gz RECHCTWXUGWNOT-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnn1CC1CCC1 ZINC000924964229 648080830 /nfs/dbraw/zinc/08/08/30/648080830.db2.gz PNCSQDAXROWCRU-AWEZNQCLSA-N 2 0 290.455 2.676 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924989232 648084741 /nfs/dbraw/zinc/08/47/41/648084741.db2.gz DBCQHZBEWVOLAB-JFIYKMOQSA-N 2 0 293.499 2.737 20 0 CFADRP Cc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000925008018 648086978 /nfs/dbraw/zinc/08/69/78/648086978.db2.gz AXNSIJHXWIGMMY-GOEBONIOSA-N 2 0 258.409 2.914 20 0 CFADRP Cc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000925008021 648087265 /nfs/dbraw/zinc/08/72/65/648087265.db2.gz AXNSIJHXWIGMMY-HOCLYGCPSA-N 2 0 258.409 2.914 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000925013114 648088207 /nfs/dbraw/zinc/08/82/07/648088207.db2.gz UJESVSVTVPPFTF-GOSISDBHSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000925023707 648089430 /nfs/dbraw/zinc/08/94/30/648089430.db2.gz PGRUNMQRYAYBBB-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000925053512 648096542 /nfs/dbraw/zinc/09/65/42/648096542.db2.gz JIMBEHHECCBCCS-YOEHRIQHSA-N 2 0 276.424 2.825 20 0 CFADRP CCc1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)[nH]n1 ZINC000925060131 648097090 /nfs/dbraw/zinc/09/70/90/648097090.db2.gz CRKDZRGELLLMQN-CYBMUJFWSA-N 2 0 286.423 2.885 20 0 CFADRP CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925120907 648110551 /nfs/dbraw/zinc/11/05/51/648110551.db2.gz LNFXJRPHGXMOGY-XJKSGUPXSA-N 2 0 264.413 2.560 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000925131221 648112612 /nfs/dbraw/zinc/11/26/12/648112612.db2.gz YECRBUQROQZPRT-ZACQAIPSSA-N 2 0 294.483 2.900 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000925149525 648117597 /nfs/dbraw/zinc/11/75/97/648117597.db2.gz AUWDBNRXIJDXQL-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CC3CCC1CC3)CCC2 ZINC000925167666 648121942 /nfs/dbraw/zinc/12/19/42/648121942.db2.gz DBZINKRBBPYOIR-PFSRBDOWSA-N 2 0 259.397 2.929 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1cn2c(n1)CCCC2 ZINC000925167496 648122220 /nfs/dbraw/zinc/12/22/20/648122220.db2.gz CRIHLIJPSUCLGM-UONOGXRCSA-N 2 0 299.422 2.644 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C1[C@@H](C)COC[C@@H]1C)C(C)C ZINC000925196419 648129326 /nfs/dbraw/zinc/12/93/26/648129326.db2.gz MBZKHMYUKQQVBY-GJZGRUSLSA-N 2 0 270.461 2.756 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000925213875 648133617 /nfs/dbraw/zinc/13/36/17/648133617.db2.gz CIXQANZLPNXYKS-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000925299202 648152436 /nfs/dbraw/zinc/15/24/36/648152436.db2.gz YHPGPEZQFXZNDR-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000925489089 648182398 /nfs/dbraw/zinc/18/23/98/648182398.db2.gz NFOCFQDOBGCDKM-GJZGRUSLSA-N 2 0 264.388 2.864 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925498076 648184302 /nfs/dbraw/zinc/18/43/02/648184302.db2.gz BXGLEHUQYKULNK-QZTJIDSGSA-N 2 0 299.462 2.525 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000925499903 648185852 /nfs/dbraw/zinc/18/58/52/648185852.db2.gz UVOWCFNBIHOWKR-RHSMWYFYSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C12CCC2 ZINC000925502653 648186239 /nfs/dbraw/zinc/18/62/39/648186239.db2.gz GQTIQZHSXSEQSV-HOTGVXAUSA-N 2 0 287.382 2.709 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925501894 648186344 /nfs/dbraw/zinc/18/63/44/648186344.db2.gz FEUVCPAZYQWBBS-BFHYXJOUSA-N 2 0 268.445 2.558 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925502188 648186655 /nfs/dbraw/zinc/18/66/55/648186655.db2.gz FTMTWHORNFKUSS-UPJWGTAASA-N 2 0 254.443 2.535 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925504242 648187685 /nfs/dbraw/zinc/18/76/85/648187685.db2.gz NEBKDXXTLKAWIY-ZWKOTPCHSA-N 2 0 288.435 2.823 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925504216 648187801 /nfs/dbraw/zinc/18/78/01/648187801.db2.gz NASWHHKTSNLSMD-LSDHHAIUSA-N 2 0 276.399 2.963 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925505045 648188534 /nfs/dbraw/zinc/18/85/34/648188534.db2.gz PJSVELUWFUGUAT-MJBXVCDLSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925507781 648188620 /nfs/dbraw/zinc/18/86/20/648188620.db2.gz NCWVXSBXJOGMHB-VCTAVGKDSA-N 2 0 296.361 2.592 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1 ZINC000925505878 648188910 /nfs/dbraw/zinc/18/89/10/648188910.db2.gz PAFHSLPOMGTOKE-MSOLQXFVSA-N 2 0 284.403 2.790 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925507447 648189928 /nfs/dbraw/zinc/18/99/28/648189928.db2.gz BBCJCWYJQYUXBB-SJORKVTESA-N 2 0 298.434 2.594 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccc(F)c1 ZINC000925507045 648189934 /nfs/dbraw/zinc/18/99/34/648189934.db2.gz YTOFPKKFCFSBSG-XBJNOIPFSA-N 2 0 288.410 2.689 20 0 CFADRP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925509716 648190658 /nfs/dbraw/zinc/19/06/58/648190658.db2.gz OMBMHXPIRHVAFY-DLBZAZTESA-N 2 0 287.451 2.554 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCn2cnc3ccccc32)C1 ZINC000925508830 648190691 /nfs/dbraw/zinc/19/06/91/648190691.db2.gz SIJMBJKWRWSBQE-UONOGXRCSA-N 2 0 286.423 2.532 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925509728 648190942 /nfs/dbraw/zinc/19/09/42/648190942.db2.gz ORFTWVMXNGYYKB-HUUCEWRRSA-N 2 0 269.477 2.601 20 0 CFADRP CCC[NH+]1CCC(N[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925511492 648191717 /nfs/dbraw/zinc/19/17/17/648191717.db2.gz NXMAMDZGUOQNNC-PBHICJAKSA-N 2 0 275.440 2.539 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925512989 648192417 /nfs/dbraw/zinc/19/24/17/648192417.db2.gz GQOCGZVPYYIZPA-QGZVFWFLSA-N 2 0 289.467 2.759 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccsc1 ZINC000925518558 648195565 /nfs/dbraw/zinc/19/55/65/648195565.db2.gz ZCXKOIJMIWENNQ-BZUAXINKSA-N 2 0 294.464 2.539 20 0 CFADRP C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925518096 648195667 /nfs/dbraw/zinc/19/56/67/648195667.db2.gz DDGSCQDUPLPWIC-CKNLXJGOSA-N 2 0 296.480 2.556 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925520386 648196033 /nfs/dbraw/zinc/19/60/33/648196033.db2.gz FYIIREAYXKZTAB-BBWFWOEESA-N 2 0 290.451 2.648 20 0 CFADRP CN(C)C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCC1 ZINC000925519292 648196064 /nfs/dbraw/zinc/19/60/64/648196064.db2.gz LXBIJOGYHYIKPW-QGZVFWFLSA-N 2 0 289.467 2.931 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925520402 648196749 /nfs/dbraw/zinc/19/67/49/648196749.db2.gz GCWXRMDUGODBJZ-HZPDHXFCSA-N 2 0 258.409 2.705 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2cccc(F)c2)C[C@@H]([NH3+])C1 ZINC000925520792 648197353 /nfs/dbraw/zinc/19/73/53/648197353.db2.gz SPZBCOQMMHEYKH-CABCVRRESA-N 2 0 264.388 2.864 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925524687 648199755 /nfs/dbraw/zinc/19/97/55/648199755.db2.gz YICQBBTWPFNHKE-UPJWGTAASA-N 2 0 254.443 2.535 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925529168 648201064 /nfs/dbraw/zinc/20/10/64/648201064.db2.gz WVHSPZIERVQYHQ-JKSUJKDBSA-N 2 0 276.424 2.829 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925529100 648201618 /nfs/dbraw/zinc/20/16/18/648201618.db2.gz YUOBIEVOKKHWDT-YNEHKIRRSA-N 2 0 256.434 2.543 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925527861 648201693 /nfs/dbraw/zinc/20/16/93/648201693.db2.gz RULMPYUBHDNCHS-RRFJBIMHSA-N 2 0 270.461 2.527 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000925528245 648201760 /nfs/dbraw/zinc/20/17/60/648201760.db2.gz QYBGSAGPEXSVPP-QWHCGFSZSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000925537113 648205787 /nfs/dbraw/zinc/20/57/87/648205787.db2.gz JCLCFKDBTCVSDE-RGWLIJMNSA-N 2 0 299.462 2.618 20 0 CFADRP C1CCC([NH+]2CCC(N[C@H]3CC[NH2+]C34CCCC4)CC2)C1 ZINC000925535481 648205919 /nfs/dbraw/zinc/20/59/19/648205919.db2.gz XWQDBOSRHHGHRR-KRWDZBQOSA-N 2 0 291.483 2.658 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925547226 648211045 /nfs/dbraw/zinc/21/10/45/648211045.db2.gz ARBFJCYNWGXOKQ-PMPSAXMXSA-N 2 0 287.451 2.761 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925550019 648212426 /nfs/dbraw/zinc/21/24/26/648212426.db2.gz KFEYNBCEOVHTQB-HLLBOEOZSA-N 2 0 275.440 2.539 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925558653 648216858 /nfs/dbraw/zinc/21/68/58/648216858.db2.gz PYECXUFUJGJSGB-HZPDHXFCSA-N 2 0 276.424 2.829 20 0 CFADRP Cc1noc(C)c1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925563519 648218792 /nfs/dbraw/zinc/21/87/92/648218792.db2.gz COYQPGDONHODNW-MRXNPFEDSA-N 2 0 273.380 2.861 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925566021 648219881 /nfs/dbraw/zinc/21/98/81/648219881.db2.gz BPMUIPCJWHWRQN-OLZOCXBDSA-N 2 0 279.453 2.634 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925568316 648221051 /nfs/dbraw/zinc/22/10/51/648221051.db2.gz JCCCZDWOGWIKIJ-LSDHHAIUSA-N 2 0 275.440 2.748 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1C ZINC000925567539 648221236 /nfs/dbraw/zinc/22/12/36/648221236.db2.gz OWHATGMNFGVUMX-UONOGXRCSA-N 2 0 278.444 2.515 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1Cl ZINC000925584023 648227330 /nfs/dbraw/zinc/22/73/30/648227330.db2.gz OUCCENXNBPYSJG-RBSFLKMASA-N 2 0 294.826 2.887 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOc1cccc(Cl)c1 ZINC000925586889 648228703 /nfs/dbraw/zinc/22/87/03/648228703.db2.gz VAPDTBLEBOGEPY-FFMGESDNSA-N 2 0 294.826 2.824 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ccc(Cl)cn2)C1 ZINC000925589205 648229193 /nfs/dbraw/zinc/22/91/93/648229193.db2.gz WMJOPUPXHABHBA-STQMWFEESA-N 2 0 297.830 2.609 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)C12CCC2 ZINC000925602912 648234855 /nfs/dbraw/zinc/23/48/55/648234855.db2.gz YXULUEPZTOBLSN-HUUCEWRRSA-N 2 0 256.349 2.792 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925608653 648237453 /nfs/dbraw/zinc/23/74/53/648237453.db2.gz GTUPVGQQJMCJCW-ZGRYLRDCSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925608651 648237821 /nfs/dbraw/zinc/23/78/21/648237821.db2.gz GTUPVGQQJMCJCW-RDHHWEPZSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000925608652 648238150 /nfs/dbraw/zinc/23/81/50/648238150.db2.gz GTUPVGQQJMCJCW-VXLLPVPCSA-N 2 0 280.456 2.654 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000925616504 648241623 /nfs/dbraw/zinc/24/16/23/648241623.db2.gz MJCGCFAAZPQDFU-ZNMIVQPWSA-N 2 0 268.445 2.687 20 0 CFADRP Oc1ccccc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617431 648241670 /nfs/dbraw/zinc/24/16/70/648241670.db2.gz QPTVQXXYBAMFRS-IRXDYDNUSA-N 2 0 288.435 2.693 20 0 CFADRP [NH3+]CCC[C@H](NCc1ncccc1F)c1ccccc1 ZINC000925620545 648243685 /nfs/dbraw/zinc/24/36/85/648243685.db2.gz BOAHKSFXRZEMKB-HNNXBMFYSA-N 2 0 273.355 2.791 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925625634 648246118 /nfs/dbraw/zinc/24/61/18/648246118.db2.gz JAVOJIDXISSNFO-IKGGRYGDSA-N 2 0 296.499 2.787 20 0 CFADRP CC1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925630593 648249790 /nfs/dbraw/zinc/24/97/90/648249790.db2.gz PVEQMNMWXAPTOB-HOTGVXAUSA-N 2 0 270.420 2.651 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925634802 648253993 /nfs/dbraw/zinc/25/39/93/648253993.db2.gz PTEHJLSYAPMLPL-CVEARBPZSA-N 2 0 273.424 2.738 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000925640651 648257514 /nfs/dbraw/zinc/25/75/14/648257514.db2.gz TYSXPQWLZUPEAH-HOCLYGCPSA-N 2 0 258.409 2.649 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCc2ccc(Cl)cc2F)C12CCC2 ZINC000925643980 648258971 /nfs/dbraw/zinc/25/89/71/648258971.db2.gz LHDZGVICLIAHFF-OLZOCXBDSA-N 2 0 268.763 2.839 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)cn(C)c2c1 ZINC000925645346 648259004 /nfs/dbraw/zinc/25/90/04/648259004.db2.gz PUCCJQUUBBVVKY-ZWKOTPCHSA-N 2 0 297.446 2.889 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C12CCC2 ZINC000925647651 648259920 /nfs/dbraw/zinc/25/99/20/648259920.db2.gz ZWBOWPAXFHDHGG-HUUCEWRRSA-N 2 0 256.393 2.621 20 0 CFADRP CC1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925653262 648264395 /nfs/dbraw/zinc/26/43/95/648264395.db2.gz LFFJMTWSUNVUFN-LSDHHAIUSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925656564 648265370 /nfs/dbraw/zinc/26/53/70/648265370.db2.gz YLWPRRCVUZVNDJ-DAQGBAQMSA-N 2 0 282.431 2.827 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925662788 648268489 /nfs/dbraw/zinc/26/84/89/648268489.db2.gz LKVDMQDUQVCKJH-MSOLQXFVSA-N 2 0 287.451 2.690 20 0 CFADRP C[C@@H]1[C@@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925668699 648270532 /nfs/dbraw/zinc/27/05/32/648270532.db2.gz JVUKMFGFWVZEPB-NJAFHUGGSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@@H]1[C@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925668698 648270747 /nfs/dbraw/zinc/27/07/47/648270747.db2.gz JVUKMFGFWVZEPB-KBAYOESNSA-N 2 0 299.462 2.524 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925667333 648271178 /nfs/dbraw/zinc/27/11/78/648271178.db2.gz QGXAEXSRXJNUTE-RDBSUJKOSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@H]1COc2ccccc21)c1ccccc1 ZINC000925669943 648271524 /nfs/dbraw/zinc/27/15/24/648271524.db2.gz ZERSBMVEAKCXIV-YEWWUXTCSA-N 2 0 282.387 2.841 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@@H]1COc2ccccc21)c1ccccc1 ZINC000925669942 648272424 /nfs/dbraw/zinc/27/24/24/648272424.db2.gz ZERSBMVEAKCXIV-JOQOYGCGSA-N 2 0 282.387 2.841 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C2 ZINC000925675505 648274991 /nfs/dbraw/zinc/27/49/91/648274991.db2.gz IGJLTXPWGQTUBM-OWCLPIDISA-N 2 0 288.435 2.794 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925677290 648275032 /nfs/dbraw/zinc/27/50/32/648275032.db2.gz SEMNBSIBMMIRNH-VYDXJSESSA-N 2 0 277.456 2.785 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000925676971 648275892 /nfs/dbraw/zinc/27/58/92/648275892.db2.gz MTSRHFDFFRHDBT-HZPDHXFCSA-N 3 0 281.488 2.748 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)OC ZINC000925681690 648277365 /nfs/dbraw/zinc/27/73/65/648277365.db2.gz WZSBBCJTJZUPMM-OWCLPIDISA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000925679476 648277472 /nfs/dbraw/zinc/27/74/72/648277472.db2.gz CZYHUBDUXVJPDJ-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)OC ZINC000925681678 648278302 /nfs/dbraw/zinc/27/83/02/648278302.db2.gz WRBIRXCOTZQDEC-JKSUJKDBSA-N 2 0 264.413 2.871 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)C2)c1 ZINC000925684477 648279258 /nfs/dbraw/zinc/27/92/58/648279258.db2.gz AMKDTVNCZGTDSW-MUIFIZLQSA-N 2 0 286.419 2.801 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1 ZINC000925687360 648280437 /nfs/dbraw/zinc/28/04/37/648280437.db2.gz JKWNUJXEBBSBQQ-DOTOQJQBSA-N 2 0 276.424 2.873 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C12CCC2 ZINC000925686845 648280579 /nfs/dbraw/zinc/28/05/79/648280579.db2.gz XBDOBNGQQWGCBK-VVLHAWIVSA-N 2 0 292.467 2.702 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925690590 648280989 /nfs/dbraw/zinc/28/09/89/648280989.db2.gz IYLWPEKORMSTRS-GJZGRUSLSA-N 2 0 261.413 2.694 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925688691 648281189 /nfs/dbraw/zinc/28/11/89/648281189.db2.gz GVKMFMKQVSGSHV-AIEDFZFUSA-N 2 0 250.430 2.645 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925688694 648281532 /nfs/dbraw/zinc/28/15/32/648281532.db2.gz GYPNRIVCCNJZMH-CABCVRRESA-N 2 0 262.372 2.536 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925693550 648282241 /nfs/dbraw/zinc/28/22/41/648282241.db2.gz SJKJWWQXRAWPBO-OOJKYFRXSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCCc3cc(N)ccc31)[NH2+]2 ZINC000925700786 648285074 /nfs/dbraw/zinc/28/50/74/648285074.db2.gz WLPPCYYCBJJVGR-DIYIRWCZSA-N 2 0 285.435 2.765 20 0 CFADRP CCSC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925704221 648287500 /nfs/dbraw/zinc/28/75/00/648287500.db2.gz CSZABJGKINHGRT-NWDGAFQWSA-N 2 0 256.459 2.768 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000925706588 648288256 /nfs/dbraw/zinc/28/82/56/648288256.db2.gz MZKPWPJQIKEQIT-AWEZNQCLSA-N 2 0 277.799 2.574 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925705602 648288452 /nfs/dbraw/zinc/28/84/52/648288452.db2.gz KIHJYEFTUURRJS-VEJQYAPMSA-N 2 0 260.425 2.541 20 0 CFADRP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[C@@H]1C1CCC1 ZINC000925707450 648288610 /nfs/dbraw/zinc/28/86/10/648288610.db2.gz PTSKSRQNUUUMKM-YLFCFFPRSA-N 2 0 262.441 2.933 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000925709222 648290927 /nfs/dbraw/zinc/29/09/27/648290927.db2.gz UCUQQLJGSAUFAW-SAIUAHADSA-N 2 0 274.383 2.729 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000925711111 648291520 /nfs/dbraw/zinc/29/15/20/648291520.db2.gz SPICLUFVJWOQHJ-ZCQSWUGKSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccn1 ZINC000925714949 648294042 /nfs/dbraw/zinc/29/40/42/648294042.db2.gz ZWTDRUXYDDUHQR-LQKXBSAESA-N 2 0 273.424 2.551 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc2c(c1)CCCO2 ZINC000925715785 648294713 /nfs/dbraw/zinc/29/47/13/648294713.db2.gz HQTRTAGSPCVTRQ-ZLIFDBKOSA-N 2 0 286.419 2.932 20 0 CFADRP CC1(C)C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925716836 648294882 /nfs/dbraw/zinc/29/48/82/648294882.db2.gz QVSBYBLLMVAEHV-BBWFWOEESA-N 2 0 293.499 2.604 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C1(C)C)CC(F)(F)F ZINC000925717922 648296102 /nfs/dbraw/zinc/29/61/02/648296102.db2.gz VKQWJWGSCRCZCR-VIFPVBQESA-N 2 0 252.324 2.695 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)nc1 ZINC000925720855 648296720 /nfs/dbraw/zinc/29/67/20/648296720.db2.gz VFNFAEJVPWBYFY-ZFWWWQNUSA-N 2 0 273.424 2.527 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925725763 648299259 /nfs/dbraw/zinc/29/92/59/648299259.db2.gz VTRYTRLTLFQLPS-VNQPRFMTSA-N 2 0 282.497 2.888 20 0 CFADRP c1ccc([C@H]2CCC[C@H]2[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925724656 648299277 /nfs/dbraw/zinc/29/92/77/648299277.db2.gz LLPIJWSCCUOOSO-RRGAYKJSSA-N 2 0 282.431 2.909 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCSCCC(F)(F)F ZINC000925731271 648300697 /nfs/dbraw/zinc/30/06/97/648300697.db2.gz ACDFOHSEDZXSDF-ZYANWLCNSA-N 2 0 296.402 2.778 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(-c2ccccc2)nn1C ZINC000925736864 648304487 /nfs/dbraw/zinc/30/44/87/648304487.db2.gz DRJVDLBSFSZMLZ-CYBMUJFWSA-N 2 0 286.423 2.865 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000925737529 648304706 /nfs/dbraw/zinc/30/47/06/648304706.db2.gz QSUNUVRFKOQIFL-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1Cl ZINC000925739165 648304766 /nfs/dbraw/zinc/30/47/66/648304766.db2.gz UMICUXLCTGRJBX-SECBINFHSA-N 2 0 271.792 2.522 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925768966 648313617 /nfs/dbraw/zinc/31/36/17/648313617.db2.gz MZPNTNKTWHCXNA-YDHLFZDLSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000925770608 648314511 /nfs/dbraw/zinc/31/45/11/648314511.db2.gz JJGNDJQGYHMGQL-DOTOQJQBSA-N 2 0 286.423 2.732 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000925775505 648317205 /nfs/dbraw/zinc/31/72/05/648317205.db2.gz GUEWHTVANIYUKS-NWDGAFQWSA-N 2 0 258.356 2.544 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925776347 648318887 /nfs/dbraw/zinc/31/88/87/648318887.db2.gz XDEUNAZQYYSREZ-BRWVUGGUSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925779405 648319894 /nfs/dbraw/zinc/31/98/94/648319894.db2.gz MYHWROTZFIQVHM-ZIAGYGMSSA-N 2 0 268.351 2.972 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000925783510 648322383 /nfs/dbraw/zinc/32/23/83/648322383.db2.gz FHCYDTJIWNWKMX-PVXIVEMSSA-N 2 0 262.372 2.648 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccn1 ZINC000925783291 648322440 /nfs/dbraw/zinc/32/24/40/648322440.db2.gz FBXPDLKRCXHAEJ-IJEWVQPXSA-N 2 0 261.413 2.614 20 0 CFADRP COc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000925786835 648323435 /nfs/dbraw/zinc/32/34/35/648323435.db2.gz VTNGYCJMDLCLOD-PVAVHDDUSA-N 2 0 290.451 2.707 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925791122 648324556 /nfs/dbraw/zinc/32/45/56/648324556.db2.gz NIGGIHWIWVGZDE-IFIJOSMWSA-N 2 0 274.408 2.518 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C(C)C)cc1 ZINC000925787187 648324698 /nfs/dbraw/zinc/32/46/98/648324698.db2.gz WXDBTNIEZZYZEP-UKPHBRMFSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000925794323 648326803 /nfs/dbraw/zinc/32/68/03/648326803.db2.gz DFNMZGNDLMVDLT-XJKCOSOUSA-N 2 0 292.398 2.875 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)o1 ZINC000925800281 648327175 /nfs/dbraw/zinc/32/71/75/648327175.db2.gz YFTGMOFVXYIMDI-JHJVBQTASA-N 2 0 250.386 2.738 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C[C@@H]([NH3+])C1 ZINC000925804313 648328057 /nfs/dbraw/zinc/32/80/57/648328057.db2.gz GQFMEDRZEPVSEA-VYDRJRHOSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000925803863 648328215 /nfs/dbraw/zinc/32/82/15/648328215.db2.gz WWIBOCHQWSVPJT-CQLXCSJHSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cnn1C(C)C ZINC000925802456 648328366 /nfs/dbraw/zinc/32/83/66/648328366.db2.gz HFWIFIKUOGFABB-VNHYZAJKSA-N 2 0 278.444 2.669 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803435 648328488 /nfs/dbraw/zinc/32/84/88/648328488.db2.gz OLWUBVYGBIMACO-MUIFIZLQSA-N 2 0 276.424 2.598 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)C[C@@H]([NH3+])C1 ZINC000925805357 648328995 /nfs/dbraw/zinc/32/89/95/648328995.db2.gz HQWFLDQGCGSQDN-KXNHARMFSA-N 2 0 294.361 2.592 20 0 CFADRP C[C@@H]([NH2+]CCC1(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000925805016 648329094 /nfs/dbraw/zinc/32/90/94/648329094.db2.gz PIHVJOOBLYNNSZ-GDBMZVCRSA-N 2 0 258.409 2.838 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925807377 648329724 /nfs/dbraw/zinc/32/97/24/648329724.db2.gz AGAUQSBRWAHUGW-LBPRGKRZSA-N 2 0 273.380 2.548 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925808970 648330184 /nfs/dbraw/zinc/33/01/84/648330184.db2.gz FRYHUEXPNNJCLT-SFHVURJKSA-N 2 0 289.467 2.713 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nccc2c1CCCC2 ZINC000925807262 648330208 /nfs/dbraw/zinc/33/02/08/648330208.db2.gz UXJIAOMKIRYIOV-FLOBVVSRSA-N 2 0 285.435 2.566 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000925809789 648330853 /nfs/dbraw/zinc/33/08/53/648330853.db2.gz WWEXHIIWHREVSP-DOTOQJQBSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)CC[C@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816490 648333095 /nfs/dbraw/zinc/33/30/95/648333095.db2.gz HEQMBIUOCOOITQ-RDJZCZTQSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925825540 648335048 /nfs/dbraw/zinc/33/50/48/648335048.db2.gz GESCOWQHLJADIQ-IIAWOOMASA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000925831153 648336065 /nfs/dbraw/zinc/33/60/65/648336065.db2.gz SMHNWBYDYALBRJ-GZBFAFLISA-N 2 0 262.397 2.652 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)[C@]12CCC[C@H]1OCC2 ZINC000925830095 648336517 /nfs/dbraw/zinc/33/65/17/648336517.db2.gz FMFLGLMGSSQWHB-DUQPFJRNSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925836973 648339090 /nfs/dbraw/zinc/33/90/90/648339090.db2.gz AMIBIVYMAZFGIL-CGTJXYLNSA-N 2 0 287.451 2.915 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925836564 648339533 /nfs/dbraw/zinc/33/95/33/648339533.db2.gz ADJBJEDEJBANHZ-UJFKTDLFSA-N 2 0 272.383 2.932 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000925837514 648339595 /nfs/dbraw/zinc/33/95/95/648339595.db2.gz GGKOUVXZRLXIRU-SWLSCSKDSA-N 2 0 287.407 2.656 20 0 CFADRP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839587 648340349 /nfs/dbraw/zinc/34/03/49/648340349.db2.gz HSPIMYRTRJSBKF-TTZDDIAXSA-N 2 0 250.430 2.933 20 0 CFADRP C(CC[NH2+]C(C1CCC1)C1CCC1)CCN1CC[NH2+]CC1 ZINC000925847439 648343949 /nfs/dbraw/zinc/34/39/49/648343949.db2.gz RUSCQPIXDNQTEW-UHFFFAOYSA-N 2 0 293.499 2.620 20 0 CFADRP CCC1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925850670 648345346 /nfs/dbraw/zinc/34/53/46/648345346.db2.gz VTOCASXYOMZXJT-UHFFFAOYSA-N 2 0 281.488 2.620 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000925860879 648348017 /nfs/dbraw/zinc/34/80/17/648348017.db2.gz LILXBKVNHSETRW-UERKLNTKSA-N 3 0 293.499 2.889 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000925871740 648350743 /nfs/dbraw/zinc/35/07/43/648350743.db2.gz GILITYYEBVVJGF-ILXRZTDVSA-N 2 0 259.397 2.566 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000925872128 648352043 /nfs/dbraw/zinc/35/20/43/648352043.db2.gz PWOAWOBZGWPFOB-SOUVJXGZSA-N 2 0 273.424 2.955 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c2nccn21 ZINC000925883123 648354400 /nfs/dbraw/zinc/35/44/00/648354400.db2.gz WAAZYCYFNHLQSF-OWIUFQIYSA-N 2 0 296.418 2.538 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000926113273 648407472 /nfs/dbraw/zinc/40/74/72/648407472.db2.gz DHEZNEOXZCAXKY-HOTGVXAUSA-N 2 0 282.472 2.639 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926169111 648423574 /nfs/dbraw/zinc/42/35/74/648423574.db2.gz YNOUCTYWMXOEFQ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000926200372 648432291 /nfs/dbraw/zinc/43/22/91/648432291.db2.gz HFMIVRWZLVUDTB-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000926287054 648455206 /nfs/dbraw/zinc/45/52/06/648455206.db2.gz MAMJHFSYUPEPAJ-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926310804 648459646 /nfs/dbraw/zinc/45/96/46/648459646.db2.gz VLFAJKXYSAFVRQ-NSHDSACASA-N 2 0 277.412 2.816 20 0 CFADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926311494 648459781 /nfs/dbraw/zinc/45/97/81/648459781.db2.gz YRVZBHUQOOFOBU-HNNXBMFYSA-N 2 0 289.423 2.824 20 0 CFADRP C[C@H]([NH2+]CCN1CC=CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926337325 648465630 /nfs/dbraw/zinc/46/56/30/648465630.db2.gz KXYYIQFBKKUAAW-INIZCTEOSA-N 2 0 287.451 2.661 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000926489960 648507530 /nfs/dbraw/zinc/50/75/30/648507530.db2.gz SAVZHUMMPSVCKQ-CXAGYDPISA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926515391 648516115 /nfs/dbraw/zinc/51/61/15/648516115.db2.gz WWXORPBFZUKJRS-XJKSGUPXSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CC1 ZINC000926559487 648533754 /nfs/dbraw/zinc/53/37/54/648533754.db2.gz OVMTYTFAMGCUMI-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccns1 ZINC000926559836 648533953 /nfs/dbraw/zinc/53/39/53/648533953.db2.gz PERLDUSGPFHOSX-LLVKDONJSA-N 2 0 253.415 2.668 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926605576 648550288 /nfs/dbraw/zinc/55/02/88/648550288.db2.gz FTDGOIBFILPLAI-VXLLPVPCSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926665831 648567065 /nfs/dbraw/zinc/56/70/65/648567065.db2.gz NBSDMVSCJUYGBA-XYVMCAHJSA-N 2 0 287.451 2.723 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000926755106 648603492 /nfs/dbraw/zinc/60/34/92/648603492.db2.gz ULNWYGWYBUVPGZ-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926798453 648621009 /nfs/dbraw/zinc/62/10/09/648621009.db2.gz UBCLRLGHESUAOI-GMRIPVOYSA-N 2 0 282.472 2.900 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926803853 648622677 /nfs/dbraw/zinc/62/26/77/648622677.db2.gz HAYISBPHUCYCAF-QYZOEREBSA-N 2 0 299.462 2.780 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926803851 648622922 /nfs/dbraw/zinc/62/29/22/648622922.db2.gz HAYISBPHUCYCAF-OTWHNJEPSA-N 2 0 299.462 2.780 20 0 CFADRP CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926845683 648633584 /nfs/dbraw/zinc/63/35/84/648633584.db2.gz MIGPRJVQRRYXGK-QRTARXTBSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926886115 648645646 /nfs/dbraw/zinc/64/56/46/648645646.db2.gz FGOUYJVIDPZLBX-VHSSKADRSA-N 2 0 288.435 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000926946245 648666942 /nfs/dbraw/zinc/66/69/42/648666942.db2.gz ANMSKRVKLGCTOP-CKIKVBCHSA-N 2 0 276.346 2.647 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)C1CC[NH+](C)CC1 ZINC000927021722 648686294 /nfs/dbraw/zinc/68/62/94/648686294.db2.gz XJNWJMOYJKWTHJ-GDBMZVCRSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCS[C@@H](C)C2)CC1 ZINC000927030062 648688851 /nfs/dbraw/zinc/68/88/51/648688851.db2.gz HFFGSDTZQDWEII-JSGCOSHPSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)c2nccn21 ZINC000927035522 648688903 /nfs/dbraw/zinc/68/89/03/648688903.db2.gz AWVZAHAOJVXUNF-HCEZTOJASA-N 2 0 288.439 2.886 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCOC1 ZINC000927036819 648689378 /nfs/dbraw/zinc/68/93/78/648689378.db2.gz GSKDGAAYWNQTLG-JUVOFCAFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037860 648689574 /nfs/dbraw/zinc/68/95/74/648689574.db2.gz LEXKQLFFLXGUJR-XNIRIUNOSA-N 2 0 280.456 2.798 20 0 CFADRP CCn1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927039882 648690447 /nfs/dbraw/zinc/69/04/47/648690447.db2.gz WMAJJUWRZVVOGT-OOHWJJMZSA-N 2 0 290.455 2.961 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000927040092 648690557 /nfs/dbraw/zinc/69/05/57/648690557.db2.gz WSHOLIZGMAATNR-CKDBGZEDSA-N 2 0 288.439 2.715 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000927134400 648723209 /nfs/dbraw/zinc/72/32/09/648723209.db2.gz JHYRIPQYWSXHGQ-CFVMTHIKSA-N 2 0 277.412 2.508 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC1CC1 ZINC000929263821 649018223 /nfs/dbraw/zinc/01/82/23/649018223.db2.gz ODFUZKIOXNEBJR-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nnsc1[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327108 649030727 /nfs/dbraw/zinc/03/07/27/649030727.db2.gz DTKRNTRIBAYSTP-LBPRGKRZSA-N 2 0 282.457 2.571 20 0 CFADRP CCc1ncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)o1 ZINC000929507453 649063250 /nfs/dbraw/zinc/06/32/50/649063250.db2.gz WQFRWCCHWJHRCC-UHFFFAOYSA-N 2 0 279.428 2.789 20 0 CFADRP COC/C(C)=C/CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929687554 649096633 /nfs/dbraw/zinc/09/66/33/649096633.db2.gz NAOJGSBMWSCBFF-NHKNYXOTSA-N 2 0 266.429 2.529 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000929747942 649111099 /nfs/dbraw/zinc/11/10/99/649111099.db2.gz GNSBHAXGOCSNLL-VVLHAWIVSA-N 2 0 282.472 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@@H](C)C1 ZINC000929998007 649162666 /nfs/dbraw/zinc/16/26/66/649162666.db2.gz AKZVQXOJHRHUEP-RMEBNNNOSA-N 2 0 286.410 2.940 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)C(C)C)[C@H](C)C1 ZINC000929998755 649162860 /nfs/dbraw/zinc/16/28/60/649162860.db2.gz GSBOUMOYQOFEJY-OAGGEKHMSA-N 2 0 270.461 2.567 20 0 CFADRP CCc1onc(C)c1C[N@H+](C)CCCn1ccnc1C ZINC000930060366 649175294 /nfs/dbraw/zinc/17/52/94/649175294.db2.gz LRQITGDIYAVPSC-UHFFFAOYSA-N 2 0 276.384 2.572 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C2Cc3ccccc3C2)CC1 ZINC000035658054 649271702 /nfs/dbraw/zinc/27/17/02/649271702.db2.gz ZJFKYFNWHCORNQ-UHFFFAOYSA-N 2 0 272.436 2.865 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000930557623 649273303 /nfs/dbraw/zinc/27/33/03/649273303.db2.gz HIEROWZIIICVJH-KRWDZBQOSA-N 2 0 274.408 2.531 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000930806583 649328561 /nfs/dbraw/zinc/32/85/61/649328561.db2.gz UUQKRPNNTNERMZ-UHFFFAOYSA-N 2 0 299.393 2.976 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000931356293 649414689 /nfs/dbraw/zinc/41/46/89/649414689.db2.gz VLTWGEGEZMJIQV-QLFBSQMISA-N 2 0 250.430 2.839 20 0 CFADRP COCC[N@H+](CCCC(C)(F)F)CC1CC[NH+](C)CC1 ZINC000931380986 649417399 /nfs/dbraw/zinc/41/73/99/649417399.db2.gz QOCRVWWMKOMQCS-UHFFFAOYSA-N 2 0 292.414 2.712 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3ncc(-c4ccccc4)o3)C[C@@H]2C1 ZINC000931432286 649425794 /nfs/dbraw/zinc/42/57/94/649425794.db2.gz LAAOXGWUAVLFOH-CVEARBPZSA-N 2 0 297.402 2.725 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCc3nccc(N)c3C2)cc1 ZINC000931512176 649444389 /nfs/dbraw/zinc/44/43/89/649444389.db2.gz GGQQKLBDDYMHRC-UHFFFAOYSA-N 2 0 281.403 2.827 20 0 CFADRP Cc1nc(C)c(C[N@H+](C)CCCC[NH+]2CCCCC2)[nH]1 ZINC000931702855 649475440 /nfs/dbraw/zinc/47/54/40/649475440.db2.gz FGIGSZCHPUBLHM-UHFFFAOYSA-N 2 0 278.444 2.724 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCCC2(CCC2)O1 ZINC000931718929 649478506 /nfs/dbraw/zinc/47/85/06/649478506.db2.gz FAGRDEMNFRQKNM-ARFHVFGLSA-N 2 0 278.440 2.647 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931808382 649493113 /nfs/dbraw/zinc/49/31/13/649493113.db2.gz FIPFHAKPNNISHA-SJLPKXTDSA-N 2 0 298.430 2.729 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+]CCCc1cncn1C ZINC000932422502 649597178 /nfs/dbraw/zinc/59/71/78/649597178.db2.gz KXGKUNXXHWPOFX-OAHLLOKOSA-N 2 0 293.455 2.928 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932891326 649657793 /nfs/dbraw/zinc/65/77/93/649657793.db2.gz TWXZXALNFWYELQ-IXDOHACOSA-N 2 0 262.441 2.981 20 0 CFADRP CN1C[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)C[C@]2(C)C1 ZINC000933739764 649718161 /nfs/dbraw/zinc/71/81/61/649718161.db2.gz LZJUJZDXVNUMIQ-COXVUDFISA-N 2 0 274.383 2.697 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCCSC[C@H]1C ZINC000934304782 649771140 /nfs/dbraw/zinc/77/11/40/649771140.db2.gz SXUADTVDADRNHP-CYBMUJFWSA-N 2 0 267.442 2.799 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837505 649838585 /nfs/dbraw/zinc/83/85/85/649838585.db2.gz JDHPQBQTGQGPPZ-DLBZAZTESA-N 2 0 282.472 2.857 20 0 CFADRP F[C@H](c1ccnc(Cl)c1)n1cncc1C1CC[NH2+]CC1 ZINC001155057471 782191043 /nfs/dbraw/zinc/19/10/43/782191043.db2.gz JZLCOXGLRCTWBR-AWEZNQCLSA-N 2 0 294.761 2.915 20 0 CFADRP Nc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)ccc1F ZINC001243455753 782207868 /nfs/dbraw/zinc/20/78/68/782207868.db2.gz LKAPJRQVMUNTCD-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000723845701 770682111 /nfs/dbraw/zinc/68/21/11/770682111.db2.gz KRVMMULJWIUURI-SNPRPXQTSA-N 2 0 261.413 2.504 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CC[NH+](C2CCCCC2)CC1 ZINC001207275321 770864953 /nfs/dbraw/zinc/86/49/53/770864953.db2.gz LVZKWEXNRHHTOM-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001235948389 778622505 /nfs/dbraw/zinc/62/25/05/778622505.db2.gz QOURBSKJUPQQBS-CYBMUJFWSA-N 2 0 252.789 2.868 20 0 CFADRP FC1(F)CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373366 778700034 /nfs/dbraw/zinc/70/00/34/778700034.db2.gz PQUUXOFPHUJWJY-UHFFFAOYSA-N 2 0 272.383 2.982 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]2CC[NH3+])ccc1Cl ZINC001235925235 778611673 /nfs/dbraw/zinc/61/16/73/778611673.db2.gz LVHNKLNOTQVZNH-ZDUSSCGKSA-N 2 0 252.789 2.962 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cn1 ZINC001139932867 769898177 /nfs/dbraw/zinc/89/81/77/769898177.db2.gz VGZHBAMKZDNGGE-UHFFFAOYSA-N 2 0 287.451 2.944 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H](c3ccccc3)C2)C1 ZINC001208607246 769910531 /nfs/dbraw/zinc/91/05/31/769910531.db2.gz KTLDGYQLYARWMK-WBVHZDCISA-N 2 0 258.409 2.818 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(c3cccnc3)CC2)C1 ZINC001208614993 769912909 /nfs/dbraw/zinc/91/29/09/769912909.db2.gz GREGAPGTNLHGKP-OAHLLOKOSA-N 2 0 273.424 2.603 20 0 CFADRP CCOc1cc(C)ccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206811417 770013585 /nfs/dbraw/zinc/01/35/85/770013585.db2.gz UIGBKCBMRDWSBQ-CABCVRRESA-N 2 0 276.424 2.953 20 0 CFADRP COc1c(C)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812229 770022879 /nfs/dbraw/zinc/02/28/79/770022879.db2.gz YJHVALGHNIHBEZ-KBPBESRZSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209420590 770068918 /nfs/dbraw/zinc/06/89/18/770068918.db2.gz FCRVYPNMVPGCTO-OLZOCXBDSA-N 2 0 254.393 2.541 20 0 CFADRP C[C@@H]1CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001209843996 770142320 /nfs/dbraw/zinc/14/23/20/770142320.db2.gz ADXCIEMZGZISFW-CQSZACIVSA-N 2 0 250.430 2.888 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000397593117 770266439 /nfs/dbraw/zinc/26/64/39/770266439.db2.gz KLKWKCZVABQHLO-GOSISDBHSA-N 2 0 288.435 2.667 20 0 CFADRP CCCOc1ccc(CN2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210475001 770291586 /nfs/dbraw/zinc/29/15/86/770291586.db2.gz KFOXQCJRIUJZDT-AWEZNQCLSA-N 2 0 262.397 2.659 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207189702 770579699 /nfs/dbraw/zinc/57/96/99/770579699.db2.gz DGFXTZZRBMAWMZ-LJIGWXMPSA-N 2 0 290.838 2.937 20 0 CFADRP C[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000308446011 770603173 /nfs/dbraw/zinc/60/31/73/770603173.db2.gz ANVPCMFIONTYHX-GXTWGEPZSA-N 2 0 266.816 2.799 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723615418 770618670 /nfs/dbraw/zinc/61/86/70/770618670.db2.gz PHQAFAPLYFYMSU-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000723637903 770631872 /nfs/dbraw/zinc/63/18/72/770631872.db2.gz KTZRKJYXWYRPIE-NQNKBUKLSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000723685327 770649304 /nfs/dbraw/zinc/64/93/04/770649304.db2.gz GOHRNLVVYJUEPT-ZDUSSCGKSA-N 2 0 271.364 2.512 20 0 CFADRP CS[C@H]1CC[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707300511 770654487 /nfs/dbraw/zinc/65/44/87/770654487.db2.gz GOBWXVWYTGKLIF-CHZLEKFTSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@H]1CC[NH3+] ZINC000723905540 770710959 /nfs/dbraw/zinc/71/09/59/770710959.db2.gz KVFBSATUUWIOMK-FRFSOERESA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921378 770715164 /nfs/dbraw/zinc/71/51/64/770715164.db2.gz GRUKFYTXUDCGFN-IJLUTSLNSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]([NH2+][C@@H](C1CC1)C1CCCC1)C1CC[NH2+]CC1 ZINC000723963546 770722618 /nfs/dbraw/zinc/72/26/18/770722618.db2.gz HTQIWDOSXCYTHB-MLGOLLRUSA-N 2 0 250.430 2.933 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723980561 770733960 /nfs/dbraw/zinc/73/39/60/770733960.db2.gz OMBFNUGTYXHCPP-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000690737456 770883157 /nfs/dbraw/zinc/88/31/57/770883157.db2.gz FFJJTYMTISFRJR-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000690738418 770884439 /nfs/dbraw/zinc/88/44/39/770884439.db2.gz HMUWYIPDTUULHJ-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP CC[NH+](CC)Cc1cc(OC)ccc1-n1cccc1C[NH3+] ZINC001167596045 770958346 /nfs/dbraw/zinc/95/83/46/770958346.db2.gz SJLFVNHHJVUHJC-UHFFFAOYSA-N 2 0 287.407 2.786 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+](CC3CCC(F)(F)CC3)C[C@@H]2C1 ZINC001207350288 773217137 /nfs/dbraw/zinc/21/71/37/773217137.db2.gz JTPAVLZVTKXWAO-OKILXGFUSA-N 2 0 272.383 2.695 20 0 CFADRP C[NH+](C)CC[C@@H](O[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001224133551 775109361 /nfs/dbraw/zinc/10/93/61/775109361.db2.gz NBEROSKQBSBBEI-MSOLQXFVSA-N 2 0 288.435 2.790 20 0 CFADRP C[NH+](C)CC[C@@H](O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001224133552 775109488 /nfs/dbraw/zinc/10/94/88/775109488.db2.gz NBEROSKQBSBBEI-QZTJIDSGSA-N 2 0 288.435 2.790 20 0 CFADRP C[NH+]1CCC(CO[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001224449675 775189349 /nfs/dbraw/zinc/18/93/49/775189349.db2.gz IQQIWQUBRNHMJJ-SFHVURJKSA-N 2 0 288.435 2.619 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CO[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001224701541 775252410 /nfs/dbraw/zinc/25/24/10/775252410.db2.gz HIFNDQIAAYLTEQ-ROUUACIJSA-N 2 0 288.435 2.762 20 0 CFADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@@H]1CCCC[NH+]1C)C2 ZINC001224706479 775253605 /nfs/dbraw/zinc/25/36/05/775253605.db2.gz KRKSBFRRYWNQQJ-VVLHAWIVSA-N 2 0 280.456 2.891 20 0 CFADRP c1cc(N2CCC(OCCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC001224745173 775265432 /nfs/dbraw/zinc/26/54/32/775265432.db2.gz XTWSIWFLUBWQCP-UHFFFAOYSA-N 2 0 289.423 2.553 20 0 CFADRP Cc1ccc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)s1 ZINC000693924580 775284092 /nfs/dbraw/zinc/28/40/92/775284092.db2.gz LHNCCRMGDTYEHY-CQSZACIVSA-N 2 0 252.427 2.878 20 0 CFADRP C[NH+](C)CCCCOC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001224991628 775327063 /nfs/dbraw/zinc/32/70/63/775327063.db2.gz XRPNOYPKHVSXDF-UHFFFAOYSA-N 2 0 270.461 2.996 20 0 CFADRP COc1cccc(Cl)c1C[N@H+]1CCc2nccn2CC1 ZINC001140730570 775370941 /nfs/dbraw/zinc/37/09/41/775370941.db2.gz PNUXNDCGDVQGAU-UHFFFAOYSA-N 2 0 291.782 2.603 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000721603084 775427502 /nfs/dbraw/zinc/42/75/02/775427502.db2.gz MXWBHNRSVYTLPJ-MGPQQGTHSA-N 2 0 256.434 2.510 20 0 CFADRP CCc1cccc2c(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)c[nH]c21 ZINC000708847578 775510864 /nfs/dbraw/zinc/51/08/64/775510864.db2.gz AVJOTUIGNYLNTE-GXTWGEPZSA-N 2 0 271.408 2.757 20 0 CFADRP Cc1cc(N2CC3(C2)C[NH+](CCCC(F)(F)F)C3)cc[nH+]1 ZINC001277064413 775558183 /nfs/dbraw/zinc/55/81/83/775558183.db2.gz KBTRPQXANJWUHU-UHFFFAOYSA-N 2 0 299.340 2.855 20 0 CFADRP CCOc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)ccn1 ZINC001277116075 775766276 /nfs/dbraw/zinc/76/62/76/775766276.db2.gz JZDHUAIAOFABPX-SJORKVTESA-N 2 0 289.423 2.635 20 0 CFADRP CCC[N@H+]1C[C@@H]2C[NH+](CCc3ccccc3OC)C[C@@H]2C1 ZINC001207461549 775804445 /nfs/dbraw/zinc/80/44/45/775804445.db2.gz VATVOCNTZOZUNP-CALCHBBNSA-N 2 0 288.435 2.511 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001207479489 775930239 /nfs/dbraw/zinc/93/02/39/775930239.db2.gz JOXGNJZJGTYKOB-JKSUJKDBSA-N 2 0 278.440 2.552 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001207480120 775933809 /nfs/dbraw/zinc/93/38/09/775933809.db2.gz UNGWOSKKJHDIMI-QGZVFWFLSA-N 2 0 273.424 2.950 20 0 CFADRP COc1c(C)cc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1C ZINC001222538857 776169941 /nfs/dbraw/zinc/16/99/41/776169941.db2.gz PQZWZGUXHAQPCQ-UHFFFAOYSA-N 2 0 280.387 2.575 20 0 CFADRP [NH3+]CC1(F)CC[NH+](Cc2c3ccoc3ccc2F)CC1 ZINC001222553009 776173224 /nfs/dbraw/zinc/17/32/24/776173224.db2.gz NTGFZPQGCANTEL-UHFFFAOYSA-N 2 0 280.318 2.835 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000125533580 776338164 /nfs/dbraw/zinc/33/81/64/776338164.db2.gz GRBBEFKNXIMVFI-LBPRGKRZSA-N 2 0 272.314 2.876 20 0 CFADRP Clc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000692871032 776467478 /nfs/dbraw/zinc/46/74/78/776467478.db2.gz DUIZCHACKOXMAQ-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c2ccccc21 ZINC000722327578 776473893 /nfs/dbraw/zinc/47/38/93/776473893.db2.gz CJDJXOQRLOCHEF-NKKGCODLSA-N 2 0 272.392 2.678 20 0 CFADRP C[NH2+]CCC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000399357481 776527423 /nfs/dbraw/zinc/52/74/23/776527423.db2.gz NQAZUMSMSZYSOW-LBPRGKRZSA-N 2 0 279.255 2.892 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1CN(C)C ZINC001167824657 776542477 /nfs/dbraw/zinc/54/24/77/776542477.db2.gz DNSYBVWFQQKUJW-HOTGVXAUSA-N 2 0 269.477 2.523 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925785111 776552950 /nfs/dbraw/zinc/55/29/50/776552950.db2.gz VHLRFMLJCPGMEZ-UHOFOFEASA-N 2 0 264.388 2.590 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001167827853 776555182 /nfs/dbraw/zinc/55/51/82/776555182.db2.gz YLBNRBSGQPHWNG-IRXDYDNUSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001167836799 776587657 /nfs/dbraw/zinc/58/76/57/776587657.db2.gz HJTUGUGCGXZNEP-QGZVFWFLSA-N 3 0 295.515 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CCO2)CC1 ZINC001167838026 776589220 /nfs/dbraw/zinc/58/92/20/776589220.db2.gz OZWMDHVNTYNOQE-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)n1ccc2c1CC[NH2+]C2 ZINC001167842918 776614885 /nfs/dbraw/zinc/61/48/85/776614885.db2.gz ZPRIKKMNROXJDB-CQSZACIVSA-N 2 0 263.429 2.817 20 0 CFADRP [NH2+]=C(Nc1ccc(OCC(F)(F)F)cc1)SCC[NH3+] ZINC001167911896 776833370 /nfs/dbraw/zinc/83/33/70/776833370.db2.gz GMAFRXUTKQNPOC-UHFFFAOYSA-N 2 0 293.314 2.666 20 0 CFADRP C[C@@H](C[NH+](C)C)Oc1cccc([C@H](C)[NH+](C)C)c1 ZINC001229628435 776859951 /nfs/dbraw/zinc/85/99/51/776859951.db2.gz UUDFPRJACURCLC-STQMWFEESA-N 2 0 250.386 2.638 20 0 CFADRP c1ccc(C2(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000709936236 776902322 /nfs/dbraw/zinc/90/23/22/776902322.db2.gz NLSCCRWVLLFHMZ-KRWDZBQOSA-N 2 0 270.420 2.794 20 0 CFADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000721545694 777002748 /nfs/dbraw/zinc/00/27/48/777002748.db2.gz YMBNNPVTIHEFGN-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CSC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000302301569 777189036 /nfs/dbraw/zinc/18/90/36/777189036.db2.gz JALDPZLBJHYQIG-AGUYFDCRSA-N 2 0 268.470 2.735 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCCN(Cc3cccc4c[nH+]cn43)C2)C1 ZINC001277559935 777322723 /nfs/dbraw/zinc/32/27/23/777322723.db2.gz VQUXBSSXKODWKT-GOSISDBHSA-N 2 0 298.434 2.642 20 0 CFADRP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167963624 777385750 /nfs/dbraw/zinc/38/57/50/777385750.db2.gz AFEBFTSQUYJSEK-MQVJKMGUSA-N 2 0 278.440 2.551 20 0 CFADRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc(C)n1 ZINC001232002109 777407721 /nfs/dbraw/zinc/40/77/21/777407721.db2.gz XOLRMYQXDBZARZ-UHFFFAOYSA-N 2 0 273.424 2.616 20 0 CFADRP OCC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1cccs1 ZINC001232013803 777412474 /nfs/dbraw/zinc/41/24/74/777412474.db2.gz DPDYAAMKHHRUJK-UHFFFAOYSA-N 2 0 287.388 2.619 20 0 CFADRP COc1cccc2[nH]cc(CN(C)CCC[NH+](C)C)c21 ZINC001232032821 777417563 /nfs/dbraw/zinc/41/75/63/777417563.db2.gz CTYARZDJJNQFSC-UHFFFAOYSA-N 2 0 275.396 2.560 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CC13CCOCC3)C2 ZINC001167967842 777425676 /nfs/dbraw/zinc/42/56/76/777425676.db2.gz JNWRASGZSJOYPR-HMQMGEFJSA-N 2 0 290.451 2.551 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCO1 ZINC001167975355 777443426 /nfs/dbraw/zinc/44/34/26/777443426.db2.gz NUJHMIKQMTULFQ-QOHDQGNBSA-N 2 0 278.440 2.549 20 0 CFADRP CC[NH+](CC)CCN(C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145399 777451257 /nfs/dbraw/zinc/45/12/57/777451257.db2.gz REVXWUJZDUQEQJ-UHFFFAOYSA-N 2 0 295.446 2.661 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC001232149673 777452655 /nfs/dbraw/zinc/45/26/55/777452655.db2.gz OFPRNVNBCCDPDV-MRXNPFEDSA-N 2 0 294.414 2.623 20 0 CFADRP CN(Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984714 777465958 /nfs/dbraw/zinc/46/59/58/777465958.db2.gz PXEBWIXOPHAHNY-JWTNVVGKSA-N 2 0 285.435 2.919 20 0 CFADRP C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@H]1CCCOC1 ZINC001168001967 777561322 /nfs/dbraw/zinc/56/13/22/777561322.db2.gz LMJREQNUEPRIPF-TVXGVJEUSA-N 2 0 278.440 2.503 20 0 CFADRP C[C@H]1CC(n2ccnc2C[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168004952 777573060 /nfs/dbraw/zinc/57/30/60/777573060.db2.gz COILZPNMLDCAAT-GJZGRUSLSA-N 2 0 298.434 2.956 20 0 CFADRP CO[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)[C@@H](C)C1 ZINC001168006746 777580904 /nfs/dbraw/zinc/58/09/04/777580904.db2.gz OPDOSMCIZULMPB-WUOJDRAKSA-N 2 0 292.467 2.891 20 0 CFADRP CC[C@H](O)C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168012201 777625631 /nfs/dbraw/zinc/62/56/31/777625631.db2.gz XWIPWAXBKIYAEG-RKVPGOIHSA-N 2 0 290.451 2.789 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3ccc4ncsc4c3)C2)CC1 ZINC001232743445 777655579 /nfs/dbraw/zinc/65/55/79/777655579.db2.gz VNQGLZDLZJPAOG-UHFFFAOYSA-N 2 0 287.432 2.824 20 0 CFADRP C[C@@H]1CC(NC2(C[NH3+])CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168035026 777752951 /nfs/dbraw/zinc/75/29/51/777752951.db2.gz SDYWOZXIKQCZMS-HUUCEWRRSA-N 2 0 287.451 2.509 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC001233009700 777762589 /nfs/dbraw/zinc/76/25/89/777762589.db2.gz KAZJWRIPASYUNG-UHFFFAOYSA-N 2 0 273.424 2.616 20 0 CFADRP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C)c[nH]c2=O)CC1 ZINC001233198505 777825056 /nfs/dbraw/zinc/82/50/56/777825056.db2.gz QVAMMPAIIKWEGJ-UHFFFAOYSA-N 2 0 291.439 2.792 20 0 CFADRP Cc1ccc(Cl)cc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001233250156 777843182 /nfs/dbraw/zinc/84/31/82/777843182.db2.gz XVHJIIYTSAVCOA-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094982 778032283 /nfs/dbraw/zinc/03/22/83/778032283.db2.gz YMHIMIRPHABTGW-TUUVXOQKSA-N 2 0 266.429 2.536 20 0 CFADRP CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001277806253 778070221 /nfs/dbraw/zinc/07/02/21/778070221.db2.gz BZVJOUDDYFLHDM-NVXWUHKLSA-N 2 0 290.455 2.886 20 0 CFADRP CC[C@H](C)[NH+]1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001277806771 778072183 /nfs/dbraw/zinc/07/21/83/778072183.db2.gz HYZXJQBEWOJQGF-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277808433 778081017 /nfs/dbraw/zinc/08/10/17/778081017.db2.gz XKHHADMDFPYYHR-OAGGEKHMSA-N 2 0 275.440 2.957 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000389914692 778088500 /nfs/dbraw/zinc/08/85/00/778088500.db2.gz MCRAVGVXDAWDEH-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2CCO[C@@H](C)C2)CC1 ZINC001168127253 778115676 /nfs/dbraw/zinc/11/56/76/778115676.db2.gz DYLQEORAKNHBLK-HOCLYGCPSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc12 ZINC001234970704 778342799 /nfs/dbraw/zinc/34/27/99/778342799.db2.gz KFNQEBNRSIOTBH-VQIMIIECSA-N 2 0 296.414 2.568 20 0 CFADRP CN(C)c1ccc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC001234977717 778343650 /nfs/dbraw/zinc/34/36/50/778343650.db2.gz AWQFYRZOMBNXBZ-HDICACEKSA-N 2 0 295.430 2.557 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235030883 778360081 /nfs/dbraw/zinc/36/00/81/778360081.db2.gz HXPVISPEFMWGOS-OAHLLOKOSA-N 2 0 298.352 2.933 20 0 CFADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035779 778361840 /nfs/dbraw/zinc/36/18/40/778361840.db2.gz IHPFASFWPWZBTB-BRWVUGGUSA-N 2 0 280.456 2.679 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235034519 778362019 /nfs/dbraw/zinc/36/20/19/778362019.db2.gz ZOLSVIHYUQQCNY-QGZVFWFLSA-N 2 0 258.409 2.743 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035780 778362089 /nfs/dbraw/zinc/36/20/89/778362089.db2.gz IHPFASFWPWZBTB-GVDBMIGSSA-N 2 0 280.456 2.679 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(N4CCCC4)c3)C2)C1 ZINC001235097776 778378083 /nfs/dbraw/zinc/37/80/83/778378083.db2.gz CQRZCOPIMAWKNQ-IBGZPJMESA-N 2 0 299.462 2.814 20 0 CFADRP CCN1CCc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc21 ZINC001235096018 778379601 /nfs/dbraw/zinc/37/96/01/778379601.db2.gz ZEVVNPUKUVFOPH-UHFFFAOYSA-N 2 0 299.462 2.645 20 0 CFADRP CCOc1cc(C)ccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235106933 778383303 /nfs/dbraw/zinc/38/33/03/778383303.db2.gz VJUZYIRZRKKWCI-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCOc1ccc(CN2CCC[C@]23CC[NH2+]C3)c(C)c1 ZINC001235112032 778383741 /nfs/dbraw/zinc/38/37/41/778383741.db2.gz UBWGQZSBIZJNAC-QGZVFWFLSA-N 2 0 274.408 2.722 20 0 CFADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187147 778407088 /nfs/dbraw/zinc/40/70/88/778407088.db2.gz SARVJQVWFGQORJ-OAGGEKHMSA-N 2 0 250.430 2.910 20 0 CFADRP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235192891 778408932 /nfs/dbraw/zinc/40/89/32/778408932.db2.gz GQJPZQRLCYCDBD-DLTWYDFYSA-N 2 0 290.838 2.985 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCCCC34CC[NH2+]CC4)c1)NCC2 ZINC001235191236 778409311 /nfs/dbraw/zinc/40/93/11/778409311.db2.gz OTYJQBZQZSGUPQ-UHFFFAOYSA-N 2 0 285.435 2.763 20 0 CFADRP CC[NH+](CC)CCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294958 778410973 /nfs/dbraw/zinc/41/09/73/778410973.db2.gz KQGDANVRCVPFFV-UHFFFAOYSA-N 3 0 269.477 2.571 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC001168295247 778411022 /nfs/dbraw/zinc/41/10/22/778411022.db2.gz YQNBXOCCORWSJM-UHFFFAOYSA-N 3 0 289.467 2.711 20 0 CFADRP C[NH+](C)C1CCC(N2C[C@H](CC[NH3+])c3ccccc32)CC1 ZINC001168298451 778411385 /nfs/dbraw/zinc/41/13/85/778411385.db2.gz VCDPNQCJLXCXFK-FHERZECASA-N 2 0 287.451 2.812 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC001168298519 778412276 /nfs/dbraw/zinc/41/22/76/778412276.db2.gz ZAMFUOLKXFODSA-NFOMZHRRSA-N 2 0 261.413 2.913 20 0 CFADRP COc1cccc(F)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297984 778413110 /nfs/dbraw/zinc/41/31/10/778413110.db2.gz SZNSTUOUWOGMQX-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2COc3ccc(F)cc32)CC1 ZINC001168300240 778415540 /nfs/dbraw/zinc/41/55/40/778415540.db2.gz QZIUVUYIVKTZFX-SSDMNJCBSA-N 2 0 278.371 2.722 20 0 CFADRP C[NH+](C)C1CCC(n2cc(CC[NH3+])c3ncccc32)CC1 ZINC001168300354 778416568 /nfs/dbraw/zinc/41/65/68/778416568.db2.gz VFIUXZBRRRJAAN-UHFFFAOYSA-N 2 0 286.423 2.583 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cncnc2C(C)(C)F)CC1 ZINC001168304347 778418591 /nfs/dbraw/zinc/41/85/91/778418591.db2.gz XKDNLFUYORZKDM-UHFFFAOYSA-N 2 0 294.418 2.644 20 0 CFADRP CC(C)C[NH+]1CCC(C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168304760 778418675 /nfs/dbraw/zinc/41/86/75/778418675.db2.gz CMJYLEBTRDRXTA-UHFFFAOYSA-N 3 0 295.515 2.817 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@H]3C1)C[NH2+]CC2 ZINC001235226086 778422045 /nfs/dbraw/zinc/42/20/45/778422045.db2.gz YCJRWRUHFIBTRI-RDJZCZTQSA-N 2 0 270.420 2.954 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235227906 778422103 /nfs/dbraw/zinc/42/21/03/778422103.db2.gz GMKNPJJVMJZAFJ-HNNXBMFYSA-N 2 0 277.387 2.575 20 0 CFADRP c1[nH]nc2ccc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)cc12 ZINC001235226600 778422186 /nfs/dbraw/zinc/42/21/86/778422186.db2.gz CTYJOPBFYRDDEL-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP Nc1cccc(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235231518 778422511 /nfs/dbraw/zinc/42/25/11/778422511.db2.gz ZOMRZIIKCWCJQW-QGZVFWFLSA-N 2 0 291.414 2.762 20 0 CFADRP c1[nH]c2ncccc2c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230572 778422620 /nfs/dbraw/zinc/42/26/20/778422620.db2.gz PIYKZJLZJYTYLQ-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP Oc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235230535 778423157 /nfs/dbraw/zinc/42/31/57/778423157.db2.gz OJMZHUWPSXGMPI-QGZVFWFLSA-N 2 0 274.408 2.746 20 0 CFADRP CC(C)[NH+]1CC(Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001168313668 778423969 /nfs/dbraw/zinc/42/39/69/778423969.db2.gz BSURRPCCTXERSM-UHFFFAOYSA-N 2 0 274.412 2.576 20 0 CFADRP CC[NH+]1CCC(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233946 778424183 /nfs/dbraw/zinc/42/41/83/778424183.db2.gz VFAOBVXGRQYRAK-GOSISDBHSA-N 3 0 293.499 2.572 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001168313806 778424303 /nfs/dbraw/zinc/42/43/03/778424303.db2.gz DYYXQTHYCGZVFL-MRXNPFEDSA-N 2 0 259.397 2.616 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCC(=O)c2cccnc2)CC1 ZINC001168315712 778426336 /nfs/dbraw/zinc/42/63/36/778426336.db2.gz LGSPJFPLYHABRB-UHFFFAOYSA-N 2 0 289.423 2.507 20 0 CFADRP c1[nH]c2cnccc2c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237270 778426774 /nfs/dbraw/zinc/42/67/74/778426774.db2.gz ACNJUSYGHQNWHS-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001168315036 778426820 /nfs/dbraw/zinc/42/68/20/778426820.db2.gz PTUJUKPHBYNMKG-BPCQOVAHSA-N 2 0 278.362 2.928 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc2c1C[NH2+]C2 ZINC001235236761 778426867 /nfs/dbraw/zinc/42/68/67/778426867.db2.gz IAGPCOXZKKKCPE-LJQANCHMSA-N 3 0 299.462 2.644 20 0 CFADRP CO[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC([NH+](C)C)CC3)C[C@@H]21 ZINC001168323049 778431168 /nfs/dbraw/zinc/43/11/68/778431168.db2.gz ONVQPTRGNFZRDK-HPDBWDTBSA-N 2 0 280.456 2.606 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001168324052 778433324 /nfs/dbraw/zinc/43/33/24/778433324.db2.gz HQEWGXNEGAPBAP-NRXISQOPSA-N 2 0 296.455 2.665 20 0 CFADRP Cc1nc2c(s1)C[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168323725 778433354 /nfs/dbraw/zinc/43/33/54/778433354.db2.gz BJJVCJTYNYEKSA-UHFFFAOYSA-N 2 0 279.453 2.682 20 0 CFADRP [NH3+]Cc1c(F)cccc1NC1CC[NH+](CC2CC2)CC1 ZINC001168353369 778447276 /nfs/dbraw/zinc/44/72/76/778447276.db2.gz NAKQHKLPMIDBCM-UHFFFAOYSA-N 2 0 277.387 2.571 20 0 CFADRP CC(C)[NH+]1CCC(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168356731 778457322 /nfs/dbraw/zinc/45/73/22/778457322.db2.gz VBVQNBDQFKQBLW-UHFFFAOYSA-N 3 0 293.499 2.571 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365300 778469618 /nfs/dbraw/zinc/46/96/18/778469618.db2.gz NOHZCKUFQYBAIH-PSBWJHGTSA-N 2 0 284.447 2.896 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235400703 778477040 /nfs/dbraw/zinc/47/70/40/778477040.db2.gz DOMKLVVKDHYIOZ-IRXDYDNUSA-N 2 0 276.399 2.773 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235406975 778478821 /nfs/dbraw/zinc/47/88/21/778478821.db2.gz RWOULDAZHBZRKZ-IRXDYDNUSA-N 2 0 276.399 2.827 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1O ZINC001235431047 778486591 /nfs/dbraw/zinc/48/65/91/778486591.db2.gz UDIOOXWZPWPCOZ-IAGOWNOFSA-N 2 0 288.435 2.912 20 0 CFADRP Cc1cc(O)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235425322 778487333 /nfs/dbraw/zinc/48/73/33/778487333.db2.gz JEGGXJPXODIFFD-IRXDYDNUSA-N 2 0 288.435 2.912 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCC2)CC1CC[NH2+]CC1 ZINC001235432130 778488433 /nfs/dbraw/zinc/48/84/33/778488433.db2.gz JFJNLZBQUUZUPD-UHFFFAOYSA-N 2 0 258.409 2.607 20 0 CFADRP C(O[C@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]3)C[C@@H]21)C1CC1 ZINC001235595889 778521779 /nfs/dbraw/zinc/52/17/79/778521779.db2.gz FBBVVKJDUVNUHU-BDXSIMOUSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1ccc2c(c1)C1(CC2)CCN(C[C@@H](C)[NH3+])CC1 ZINC001235607439 778522505 /nfs/dbraw/zinc/52/25/05/778522505.db2.gz NMTAEACZSKGJJT-CQSZACIVSA-N 2 0 258.409 2.622 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001277959797 778529637 /nfs/dbraw/zinc/52/96/37/778529637.db2.gz VSWZYRGVGDPQKF-SJORKVTESA-N 2 0 296.499 2.981 20 0 CFADRP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccc2ccccc21 ZINC001235662983 778530445 /nfs/dbraw/zinc/53/04/45/778530445.db2.gz NVRLDBPYWDHOTP-KRWDZBQOSA-N 2 0 284.403 2.650 20 0 CFADRP Cc1ccccc1O[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC001235675820 778532405 /nfs/dbraw/zinc/53/24/05/778532405.db2.gz UKNGCKPDVONLOI-INIZCTEOSA-N 2 0 276.424 2.967 20 0 CFADRP Cc1ccc(O[C@H]2CCC[N@H+](CCCCC[NH3+])C2)cc1 ZINC001235686650 778537298 /nfs/dbraw/zinc/53/72/98/778537298.db2.gz AMALQADWDFKIFZ-KRWDZBQOSA-N 2 0 276.424 2.967 20 0 CFADRP Cc1ccc(O[C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235689290 778538074 /nfs/dbraw/zinc/53/80/74/778538074.db2.gz ZAZDBGSBMNLZAG-AEFFLSMTSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccccc1O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001235691616 778538974 /nfs/dbraw/zinc/53/89/74/778538974.db2.gz LCMNFEWHAVZIBJ-SJORKVTESA-N 2 0 288.435 2.838 20 0 CFADRP CCN(CC[NH+](CC)CC)Cc1cc2c(s1)C[NH2+]CC2 ZINC001235692840 778539316 /nfs/dbraw/zinc/53/93/16/778539316.db2.gz UPYYDMSSNJWNTL-UHFFFAOYSA-N 2 0 295.496 2.558 20 0 CFADRP C[C@H]1CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@H]1C ZINC001235694401 778539476 /nfs/dbraw/zinc/53/94/76/778539476.db2.gz FDCPERPUVOHIKJ-KBPBESRZSA-N 2 0 250.430 2.887 20 0 CFADRP COc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235702399 778542449 /nfs/dbraw/zinc/54/24/49/778542449.db2.gz UJFWDZLTIMKNMX-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP Nc1c(F)cccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703087 778542577 /nfs/dbraw/zinc/54/25/77/778542577.db2.gz QXPNRBVVFVRUHP-UHFFFAOYSA-N 2 0 291.414 2.620 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001235710122 778543649 /nfs/dbraw/zinc/54/36/49/778543649.db2.gz MEFLLSQNLHGWLC-MRXNPFEDSA-N 2 0 296.842 2.931 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CCCC3(C[NH2+]C3)C2)c1 ZINC001235711893 778544809 /nfs/dbraw/zinc/54/48/09/778544809.db2.gz UNXIMZDVMIFLSU-UHFFFAOYSA-N 2 0 278.827 2.958 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(F)cc(F)c1F ZINC001235716888 778545854 /nfs/dbraw/zinc/54/58/54/778545854.db2.gz LKRCIIDNPXCWSR-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP C[N@H+](Cc1cc2c(s1)C[NH2+]CC2)CC(C)(C)C ZINC001235713470 778545946 /nfs/dbraw/zinc/54/59/46/778545946.db2.gz ATOIIYMNUVGDPZ-UHFFFAOYSA-N 2 0 252.427 2.872 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC001235726041 778547846 /nfs/dbraw/zinc/54/78/46/778547846.db2.gz LYWCADNMFXBFGD-UHFFFAOYSA-N 2 0 299.462 2.862 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@H]1c1cccc(OC)c1 ZINC001235726072 778548195 /nfs/dbraw/zinc/54/81/95/778548195.db2.gz MEOSNVWNJNSFPR-INIZCTEOSA-N 2 0 262.397 2.832 20 0 CFADRP C[Si](C)(C)C[N@@H+](Cc1ccccc1)CC1C[NH2+]C1 ZINC001235825027 778569148 /nfs/dbraw/zinc/56/91/48/778569148.db2.gz GUFBMSWQQNMTLE-UHFFFAOYSA-N 2 0 262.473 2.585 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CO1 ZINC001235865353 778584842 /nfs/dbraw/zinc/58/48/42/778584842.db2.gz CPWKSAMMBCFEPZ-KKUMJFAQSA-N 2 0 266.429 2.756 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001235868364 778585507 /nfs/dbraw/zinc/58/55/07/778585507.db2.gz YJVIWWGLLOLBEK-WMLDXEAASA-N 2 0 276.424 2.601 20 0 CFADRP [NH3+]CCN(CC[NH3+])Cc1ccc2sc3ccccc3c2c1 ZINC001235881320 778588336 /nfs/dbraw/zinc/58/83/36/778588336.db2.gz WQEUIAMKOYFHMN-UHFFFAOYSA-N 2 0 299.443 2.774 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235928556 778612533 /nfs/dbraw/zinc/61/25/33/778612533.db2.gz ALPYICJCAICRPB-JYJNAYRXSA-N 2 0 250.430 2.910 20 0 CFADRP COCCC[N@H+](Cc1ccc(C)c(C)c1)C1CC[NH2+]CC1 ZINC001235938394 778617426 /nfs/dbraw/zinc/61/74/26/778617426.db2.gz UZYJAJTVOWQZEH-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235942032 778618842 /nfs/dbraw/zinc/61/88/42/778618842.db2.gz XUDIUDBPBVQTLW-DLBZAZTESA-N 2 0 258.409 2.680 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235941592 778619692 /nfs/dbraw/zinc/61/96/92/778619692.db2.gz VZYZDLAYBPRLHU-MSOLQXFVSA-N 2 0 270.420 2.995 20 0 CFADRP CC[C@H]1CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235949383 778624260 /nfs/dbraw/zinc/62/42/60/778624260.db2.gz HVDNEKZWOHMZJH-AWEZNQCLSA-N 2 0 250.430 2.888 20 0 CFADRP CCc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc(CC)c1O ZINC001235956477 778626803 /nfs/dbraw/zinc/62/68/03/778626803.db2.gz DXSQHSQCWVCIHA-AWEZNQCLSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1cccc(OC2CC[NH+](CCCC[NH3+])CC2)c1 ZINC001235959821 778628781 /nfs/dbraw/zinc/62/87/81/778628781.db2.gz KXHJIXBIBRKGPW-UHFFFAOYSA-N 2 0 262.397 2.577 20 0 CFADRP C[N@@H+](Cc1ccc2n1CC[NH2+]C2)CC1CCCCC1 ZINC001235960803 778629303 /nfs/dbraw/zinc/62/93/03/778629303.db2.gz OQVSLPMETZJCHR-UHFFFAOYSA-N 2 0 261.413 2.603 20 0 CFADRP CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CCCC[NH3+] ZINC001235963925 778632326 /nfs/dbraw/zinc/63/23/26/778632326.db2.gz YASGSYATHXNAQC-LSDHHAIUSA-N 2 0 256.434 2.989 20 0 CFADRP CCN(Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2)[C@H]1CC[NH2+]C1 ZINC001235976525 778636666 /nfs/dbraw/zinc/63/66/66/778636666.db2.gz YKQSLYJYJKTCCZ-KRWDZBQOSA-N 2 0 299.462 2.872 20 0 CFADRP CCOc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)ccc1C ZINC001236006523 778651633 /nfs/dbraw/zinc/65/16/33/778651633.db2.gz PHIKZYUPUNXDKH-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC(C)C)ccc2C)C1 ZINC001236066056 778679508 /nfs/dbraw/zinc/67/95/08/778679508.db2.gz DNYSIJITTPBGFV-OAHLLOKOSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236074100 778682082 /nfs/dbraw/zinc/68/20/82/778682082.db2.gz UGMJWFDRPYNXID-SJLPKXTDSA-N 2 0 293.499 2.866 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236092908 778687839 /nfs/dbraw/zinc/68/78/39/778687839.db2.gz AWZYPZKGZNDWIL-CABCVRRESA-N 2 0 284.444 2.559 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236108755 778697681 /nfs/dbraw/zinc/69/76/81/778697681.db2.gz MWBWJFUJKIQVKV-OAHLLOKOSA-N 2 0 250.430 2.887 20 0 CFADRP CCCC[C@@H]1CN(CCC[NH2+]C2CCCCC2)CC[NH2+]1 ZINC001236134396 778709104 /nfs/dbraw/zinc/70/91/04/778709104.db2.gz BSNDMDPMCCREHU-QGZVFWFLSA-N 2 0 281.488 2.763 20 0 CFADRP C[NH+](C)CCCn1cc(-c2cccc(C[NH+](C)C)c2)cn1 ZINC001236151137 778719597 /nfs/dbraw/zinc/71/95/97/778719597.db2.gz XBWPJTXQWGACHN-UHFFFAOYSA-N 2 0 286.423 2.563 20 0 CFADRP C[NH+](C)CCCn1cc(-c2cccc(C3([NH3+])CCC3)c2)cn1 ZINC001236156240 778721413 /nfs/dbraw/zinc/72/14/13/778721413.db2.gz QTPWEEDKYDEJCG-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP C[C@@H]([NH3+])CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001236211431 778737826 /nfs/dbraw/zinc/73/78/26/778737826.db2.gz IEAKZUCPCCIYAB-CYBMUJFWSA-N 2 0 295.858 2.583 20 0 CFADRP C[NH2+]CCN(C)C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001204720495 778745105 /nfs/dbraw/zinc/74/51/05/778745105.db2.gz JROWATHLBTUPSP-TZMCWYRMSA-N 2 0 252.789 2.595 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)NCCC2)C1(C)CC[NH2+]CC1 ZINC001236227340 778745582 /nfs/dbraw/zinc/74/55/82/778745582.db2.gz CJWTWECGPNZXRZ-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP COC(=O)CCCCCCCCC[NH+]1CCC[NH2+]CCC1 ZINC001236239636 778749219 /nfs/dbraw/zinc/74/92/19/778749219.db2.gz JWZIMDJBYXIMBZ-UHFFFAOYSA-N 2 0 298.471 2.966 20 0 CFADRP c1cc([C@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC001168380432 778752055 /nfs/dbraw/zinc/75/20/55/778752055.db2.gz SMDAKWXCGBKJSX-KRWDZBQOSA-N 2 0 285.435 2.745 20 0 CFADRP [NH3+]CCCCCCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236269784 778757773 /nfs/dbraw/zinc/75/77/73/778757773.db2.gz NGVVDLKYECQYBT-SFHVURJKSA-N 2 0 289.467 2.760 20 0 CFADRP C[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001168392059 778777376 /nfs/dbraw/zinc/77/73/76/778777376.db2.gz QGOVATPVTBFYNO-KBPBESRZSA-N 2 0 250.430 2.981 20 0 CFADRP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c21 ZINC001236319685 778777365 /nfs/dbraw/zinc/77/73/65/778777365.db2.gz CUSPTCBKUVIWLK-GASCZTMLSA-N 2 0 283.419 2.908 20 0 CFADRP c1ccc2c(c1)ccnc2C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321876 778778926 /nfs/dbraw/zinc/77/89/26/778778926.db2.gz OGHYAJFFJDOBDL-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP Clc1csc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322136 778779674 /nfs/dbraw/zinc/77/96/74/778779674.db2.gz QTOVHPIGYSLQDG-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP COCC[C@@H]1CCCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392638 778780729 /nfs/dbraw/zinc/78/07/29/778780729.db2.gz QXJIYWDOFYJFKG-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP Nc1cccc2c1CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC001236364129 778792711 /nfs/dbraw/zinc/79/27/11/778792711.db2.gz SREDNGLAGWPZMO-UHFFFAOYSA-N 2 0 299.443 2.534 20 0 CFADRP C[NH+](C)CCCCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001224991826 778800288 /nfs/dbraw/zinc/80/02/88/778800288.db2.gz BTEHCYFMTSCGIZ-KRWDZBQOSA-N 2 0 276.424 2.619 20 0 CFADRP CC[N@@H+](Cc1ccc(-n2cccc2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407068 778805079 /nfs/dbraw/zinc/80/50/79/778805079.db2.gz BGARGVKUIHLESQ-QGZVFWFLSA-N 2 0 283.419 2.909 20 0 CFADRP CC[N@@H+](Cc1ccc(-n2cccc2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236407067 778805175 /nfs/dbraw/zinc/80/51/75/778805175.db2.gz BGARGVKUIHLESQ-KRWDZBQOSA-N 2 0 283.419 2.909 20 0 CFADRP COC(C)(C)CCC[C@@H](C)CC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410739 778806778 /nfs/dbraw/zinc/80/67/78/778806778.db2.gz KJKSDPRRRNOVMY-WCVJEAGWSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1cc(-c2cccc(C[NH+](C)C)c2)nc2c1C[NH2+]CC2 ZINC001236413457 778807402 /nfs/dbraw/zinc/80/74/02/778807402.db2.gz FNVHHSJDHWKPJY-UHFFFAOYSA-N 2 0 281.403 2.764 20 0 CFADRP CC[NH2+]CCN(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451480 778833013 /nfs/dbraw/zinc/83/30/13/778833013.db2.gz RZFXHROMPOMSKJ-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP CCOCC[N@H+](Cc1cc(C)ccc1C)C1CC[NH2+]CC1 ZINC001236460002 778833686 /nfs/dbraw/zinc/83/36/86/778833686.db2.gz KTIJOCSQDGCEJT-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP CCOCC[N@H+](Cc1ccc(CC)cc1)C1CC[NH2+]CC1 ZINC001236459602 778834717 /nfs/dbraw/zinc/83/47/17/778834717.db2.gz AOCSZYBHSIVRRN-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP Cc1n[nH]c(C)c1C[N@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542495 778871617 /nfs/dbraw/zinc/87/16/17/778871617.db2.gz RMYRNAHENZRFFJ-WKILWMFISA-N 2 0 290.455 2.899 20 0 CFADRP Nc1cccc(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236551385 778875416 /nfs/dbraw/zinc/87/54/16/778875416.db2.gz CHEMUKIDERAPBW-JCNLHEQBSA-N 2 0 273.424 2.751 20 0 CFADRP [NH3+]CCCC[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565259 778878028 /nfs/dbraw/zinc/87/80/28/778878028.db2.gz BOCWXYJVLAQUEL-KOMQPUFPSA-N 3 0 267.461 2.630 20 0 CFADRP CC[C@H](N)C[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566294 778878074 /nfs/dbraw/zinc/87/80/74/778878074.db2.gz WCKKVFBVFFRGFT-DZKIICNBSA-N 2 0 267.461 2.628 20 0 CFADRP Cc1ccc2c(c1)CC[N@@H+](CC1(C)CC[NH2+]CC1)C2 ZINC001236606003 778893182 /nfs/dbraw/zinc/89/31/82/778893182.db2.gz RDUKAYXXONISOG-UHFFFAOYSA-N 2 0 258.409 2.743 20 0 CFADRP Nc1ccc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)cc1F ZINC001236636646 778899560 /nfs/dbraw/zinc/89/95/60/778899560.db2.gz GXPFDGDJGVMEDF-UHFFFAOYSA-N 2 0 277.387 2.514 20 0 CFADRP C[C@H](CO)C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277999090 778916136 /nfs/dbraw/zinc/91/61/36/778916136.db2.gz YZVREJWYQRVXGU-BHYGNILZSA-N 2 0 280.456 2.582 20 0 CFADRP CC(C)(C)C[N@H+](Cc1csc(N)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767896 778930474 /nfs/dbraw/zinc/93/04/74/778930474.db2.gz QDTZUJLSJXJRCO-AULYBMBSSA-N 2 0 296.484 2.843 20 0 CFADRP CC(C)(C)C[N@H+](CCC12CC([NH3+])(C1)C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768912 778930657 /nfs/dbraw/zinc/93/06/57/778930657.db2.gz SNNGDHPPUWBIDO-VZHARNJASA-N 3 0 293.499 2.876 20 0 CFADRP CC(C)(C)C[N@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769706 778930926 /nfs/dbraw/zinc/93/09/26/778930926.db2.gz ZNYGCYUPPRAANG-WKILWMFISA-N 3 0 281.488 2.604 20 0 CFADRP CC[N@@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000094011120 778940654 /nfs/dbraw/zinc/94/06/54/778940654.db2.gz HDHYUSNDGNFRBF-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3ccccc3Cl)C[C@@H]12 ZINC001236817563 778951797 /nfs/dbraw/zinc/95/17/97/778951797.db2.gz DGYLSANZGAUDJV-IIAWOOMASA-N 2 0 278.827 2.942 20 0 CFADRP CCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC001236826394 778954533 /nfs/dbraw/zinc/95/45/33/778954533.db2.gz CNJNJLROHDWULZ-PJODQICGSA-N 2 0 294.826 2.908 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(CC)c1O ZINC001236826920 778954800 /nfs/dbraw/zinc/95/48/00/778954800.db2.gz DBAJGWGURYDVCZ-ULQDDVLXSA-N 2 0 288.435 2.686 20 0 CFADRP CCC[N@H+](C[C@H](C)OCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236830331 778958006 /nfs/dbraw/zinc/95/80/06/778958006.db2.gz NDHJJDQSXIVVLE-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP CC[N@H+]1C[C@H]2CN(Cc3ccc(F)c4ccoc43)C[C@H]2C1 ZINC001236894759 778976385 /nfs/dbraw/zinc/97/63/85/778976385.db2.gz JCZUOTOUOFDBKX-OKILXGFUSA-N 2 0 288.366 2.955 20 0 CFADRP CC[C@@H]1CCC[N@@H+]1Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236895160 778976621 /nfs/dbraw/zinc/97/66/21/778976621.db2.gz WOQMBIOZAMQKBE-QGZVFWFLSA-N 2 0 287.451 2.813 20 0 CFADRP Nc1cccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1 ZINC001236962257 778986111 /nfs/dbraw/zinc/98/61/11/778986111.db2.gz LZCQIBVHHORQNW-UHFFFAOYSA-N 2 0 287.451 2.871 20 0 CFADRP C[C@@H]1C[N@H+](CCCCC[NH3+])[C@H](C)CN1Cc1ccccc1 ZINC001237001608 778992944 /nfs/dbraw/zinc/99/29/44/778992944.db2.gz YRZACKBQVQJIOD-IAGOWNOFSA-N 2 0 289.467 2.710 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CCC12CN(CCC[NH+](C)C)C2 ZINC001278049541 779007181 /nfs/dbraw/zinc/00/71/81/779007181.db2.gz MUKWCTWNSYCHHS-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP C[NH+](C)CC1(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)CCCC1 ZINC001237144142 779024563 /nfs/dbraw/zinc/02/45/63/779024563.db2.gz JOMSHRVHCFTNTL-QGZVFWFLSA-N 2 0 293.499 2.715 20 0 CFADRP Fc1cccc2c1CC[C@]21CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC001237188974 779043821 /nfs/dbraw/zinc/04/38/21/779043821.db2.gz SHJCASZWEOQTLI-KSSFIOAISA-N 2 0 288.410 2.715 20 0 CFADRP Fc1cccc2c1CC[C@@]21CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC001237188967 779043956 /nfs/dbraw/zinc/04/39/56/779043956.db2.gz SHJCASZWEOQTLI-KBXCAEBGSA-N 2 0 288.410 2.715 20 0 CFADRP Cc1ccc(CC[NH+]2CCC3(C[NH+](C)C3)CC2)cc1 ZINC001278068277 779049736 /nfs/dbraw/zinc/04/97/36/779049736.db2.gz VTNFAUDWWDEXTF-UHFFFAOYSA-N 2 0 258.409 2.565 20 0 CFADRP c1ccc2c(c1)CN(CC[C@H]1CCCC[NH2+]1)C21CC[NH2+]CC1 ZINC001237305133 779072410 /nfs/dbraw/zinc/07/24/10/779072410.db2.gz RHRFCBPAKOKTBI-QGZVFWFLSA-N 2 0 299.462 2.613 20 0 CFADRP [NH3+]CCCC[NH+]1CCC2(CCNc3ccccc32)CC1 ZINC001237320396 779074804 /nfs/dbraw/zinc/07/48/04/779074804.db2.gz UDTYGNZMDZJDTJ-UHFFFAOYSA-N 2 0 273.424 2.575 20 0 CFADRP c1ccc2c(c1)CC1(CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC1)N2 ZINC001237333658 779079179 /nfs/dbraw/zinc/07/91/79/779079179.db2.gz OHMWLTPHPHMSIP-INIZCTEOSA-N 2 0 299.462 2.879 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1C ZINC001237381269 779087642 /nfs/dbraw/zinc/08/76/42/779087642.db2.gz ILGLUXCDVQEKNP-DLBZAZTESA-N 2 0 258.409 2.877 20 0 CFADRP Fc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384409 779089270 /nfs/dbraw/zinc/08/92/70/779089270.db2.gz WKQMULAKXRNRMX-DOTOQJQBSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237384690 779089434 /nfs/dbraw/zinc/08/94/34/779089434.db2.gz XHMRAHAUYFHOPA-GXTWGEPZSA-N 2 0 250.411 2.630 20 0 CFADRP COc1cc(C)cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237406901 779099910 /nfs/dbraw/zinc/09/99/10/779099910.db2.gz WCRQTZZKPXDXJO-RDJZCZTQSA-N 2 0 274.408 2.578 20 0 CFADRP c1ccc2c(c1)ccnc2CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237413534 779102356 /nfs/dbraw/zinc/10/23/56/779102356.db2.gz IRBOHRVHUSJGOQ-DOTOQJQBSA-N 2 0 281.403 2.809 20 0 CFADRP c1cc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2)n[nH]1 ZINC001237418280 779104159 /nfs/dbraw/zinc/10/41/59/779104159.db2.gz XRCOJXUHXXRYKO-DLBZAZTESA-N 2 0 296.418 2.651 20 0 CFADRP C[NH+]1CCC2(C[NH+]([C@@H]3CCc4cc(F)ccc4C3)C2)CC1 ZINC001168443872 779134589 /nfs/dbraw/zinc/13/45/89/779134589.db2.gz DYOCSDHEEWFZQJ-QGZVFWFLSA-N 2 0 288.410 2.711 20 0 CFADRP Cc1ccc2c(NCC3([NH+]4CCCC4)COC3)cc[nH+]c2c1 ZINC001168450314 779177689 /nfs/dbraw/zinc/17/76/89/779177689.db2.gz MAIUXZQFOCELGI-UHFFFAOYSA-N 2 0 297.402 2.820 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CC[N@@H+]4CC[C@H]4C3)cc21 ZINC001237879194 779199505 /nfs/dbraw/zinc/19/95/05/779199505.db2.gz KBTOLOKAOJCPQY-KRWDZBQOSA-N 2 0 297.446 2.578 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1OCC ZINC001205101722 779211054 /nfs/dbraw/zinc/21/10/54/779211054.db2.gz JVJLKYWRZPJTJQ-OAHLLOKOSA-N 2 0 292.423 2.797 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)COc2ccccc2)CC1 ZINC000699311755 779241788 /nfs/dbraw/zinc/24/17/88/779241788.db2.gz CNJIQCMDTZURIU-HNNXBMFYSA-N 2 0 276.424 2.918 20 0 CFADRP C[C@@H](C[NH+]1CCC2(C[NH+](C)C2)CC1)CC(F)(F)F ZINC001278185595 779249780 /nfs/dbraw/zinc/24/97/80/779249780.db2.gz WQPWEDVZAFEMAI-LLVKDONJSA-N 2 0 264.335 2.603 20 0 CFADRP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001238107893 779254355 /nfs/dbraw/zinc/25/43/55/779254355.db2.gz SJLJMGCRRURLQM-UONOGXRCSA-N 2 0 255.365 2.956 20 0 CFADRP c1[nH+]cn2c1cccc2C[NH+]1CCC2(CCCOC2)CC1 ZINC001238110285 779256452 /nfs/dbraw/zinc/25/64/52/779256452.db2.gz MPUQIGNVXAHOPE-UHFFFAOYSA-N 2 0 285.391 2.727 20 0 CFADRP [NH3+][C@@H]1CCCN(Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001205123376 779266465 /nfs/dbraw/zinc/26/64/65/779266465.db2.gz ANFAHRXHXCZORL-SNVBAGLBSA-N 2 0 278.787 2.530 20 0 CFADRP C[N@@H+](Cc1cncc(C2CC2)c1)CC1CC[NH+](C)CC1 ZINC001238185115 779272049 /nfs/dbraw/zinc/27/20/49/779272049.db2.gz PIEPZYDLGNADEM-UHFFFAOYSA-N 2 0 273.424 2.733 20 0 CFADRP COc1c(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccc(F)c1F ZINC001238468987 779325300 /nfs/dbraw/zinc/32/53/00/779325300.db2.gz JLAYYHFEXYNRGW-UHFFFAOYSA-N 2 0 296.361 2.501 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000699719484 779345342 /nfs/dbraw/zinc/34/53/42/779345342.db2.gz IYUALFQGXFUUKZ-GHMZBOCLSA-N 2 0 260.372 2.917 20 0 CFADRP CCOc1ccc(C)c(CN(C)CCC[NH+](C)C)c1 ZINC001238703853 779369776 /nfs/dbraw/zinc/36/97/76/779369776.db2.gz HGZQFZWHWXARQC-UHFFFAOYSA-N 2 0 264.413 2.777 20 0 CFADRP CCOc1ccc(C)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1 ZINC001238710873 779372113 /nfs/dbraw/zinc/37/21/13/779372113.db2.gz FTFYEULMVUUPLY-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP CCOc1ccc(C)c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001238711433 779372573 /nfs/dbraw/zinc/37/25/73/779372573.db2.gz LOSZXVOWWQCIKC-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000715281649 779414466 /nfs/dbraw/zinc/41/44/66/779414466.db2.gz AEHIAOXSKKFPNV-UHFFFAOYSA-N 2 0 264.388 2.831 20 0 CFADRP c1cc(C[NH+]2CCCCC2)cc(C2=CCC[NH2+]CC2)n1 ZINC001238939446 779421548 /nfs/dbraw/zinc/42/15/48/779421548.db2.gz UNVDCBXVTYDRLL-UHFFFAOYSA-N 2 0 271.408 2.834 20 0 CFADRP COc1ccc(C2=CCC[NH2+]CC2)cc1C[NH+](C)C ZINC001238948607 779423945 /nfs/dbraw/zinc/42/39/45/779423945.db2.gz ZSKZSLVJXJRMEU-UHFFFAOYSA-N 2 0 260.381 2.524 20 0 CFADRP C[N@@H+]1CCc2c(F)cc(C3=CCC[NH2+]CC3)cc2C1 ZINC001238951850 779425131 /nfs/dbraw/zinc/42/51/31/779425131.db2.gz YVHBFVKKOLTERE-UHFFFAOYSA-N 2 0 260.356 2.580 20 0 CFADRP CCOc1ccc(CN2C[C@@H](C)C[C@H]([NH3+])C2)c(C)c1 ZINC001236044751 779448165 /nfs/dbraw/zinc/44/81/65/779448165.db2.gz AEQPXKSWPYUHTF-WFASDCNBSA-N 2 0 262.397 2.563 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC000721271436 779466639 /nfs/dbraw/zinc/46/66/39/779466639.db2.gz HIRZOVUYGPYMIF-GRAKBVBRSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]1C[N@H+](CCCc2cccc(Cl)c2)CCC[NH2+]1 ZINC001236099406 779469308 /nfs/dbraw/zinc/46/93/08/779469308.db2.gz XZMHWYOVQXXKAT-ZDUSSCGKSA-N 2 0 266.816 2.956 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccn3c[nH+]cc23)cn1 ZINC001239214079 779477066 /nfs/dbraw/zinc/47/70/66/779477066.db2.gz FKLIJUYOPAERBD-UHFFFAOYSA-N 2 0 283.379 2.540 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc3c2CC[C@@H]3[NH3+])cn1 ZINC001239214857 779477302 /nfs/dbraw/zinc/47/73/02/779477302.db2.gz PWLFPQRIRQPNMT-SFHVURJKSA-N 2 0 298.434 2.838 20 0 CFADRP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001236833650 779644734 /nfs/dbraw/zinc/64/47/34/779644734.db2.gz ZMUFBQRPSGBQJG-CORIIIEPSA-N 2 0 264.800 2.818 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1ccccc1CC[NH3+] ZINC001239684822 779710048 /nfs/dbraw/zinc/71/00/48/779710048.db2.gz UWRWNYARMILGFR-UHFFFAOYSA-N 2 0 254.377 2.916 20 0 CFADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccc1F ZINC001205198843 779879699 /nfs/dbraw/zinc/87/96/99/779879699.db2.gz ULQJPGWLJRBVJE-UHFFFAOYSA-N 2 0 262.372 2.662 20 0 CFADRP Cc1nn(C)c(C)c1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001240145675 779966205 /nfs/dbraw/zinc/96/62/05/779966205.db2.gz XMDDCDKYMSGIFD-UHFFFAOYSA-N 2 0 298.434 2.627 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccccc2C[NH+](C)C)cn1 ZINC001239686062 780099229 /nfs/dbraw/zinc/09/92/29/780099229.db2.gz HZQMJOWZQNWSJO-LBPRGKRZSA-N 2 0 255.365 2.830 20 0 CFADRP Cc1c(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cnn1C ZINC001240384214 780127399 /nfs/dbraw/zinc/12/73/99/780127399.db2.gz ORIOJUPLLOVCMI-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP c1nc2cc(C3=CC[NH2+]CC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001240468513 780186202 /nfs/dbraw/zinc/18/62/02/780186202.db2.gz SRHZANYCHILCLD-INIZCTEOSA-N 2 0 296.418 2.728 20 0 CFADRP Fc1c(C[NH+]2CCCC2)cccc1C1=CC[NH2+]CC1 ZINC001240470467 780186993 /nfs/dbraw/zinc/18/69/93/780186993.db2.gz JCUKEZNSRIRTCU-UHFFFAOYSA-N 2 0 260.356 2.798 20 0 CFADRP C[NH+]1CCC(c2ccc(C3=CC[NH2+]CC3)cc2)CC1 ZINC001240470998 780187063 /nfs/dbraw/zinc/18/70/63/780187063.db2.gz ZQDUDYHFYDLAPQ-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2nccs2)CC1 ZINC001205041400 780238170 /nfs/dbraw/zinc/23/81/70/780238170.db2.gz UHEGPNCNVVXGHD-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684581 780322305 /nfs/dbraw/zinc/32/23/05/780322305.db2.gz KMDHZRQJTCFFHC-GXTWGEPZSA-N 2 0 278.827 2.739 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000453059127 780411141 /nfs/dbraw/zinc/41/11/41/780411141.db2.gz ASQSJXJRTKPUKX-SJORKVTESA-N 2 0 288.435 2.795 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000453193276 780421757 /nfs/dbraw/zinc/42/17/57/780421757.db2.gz LBOXKVICXWWDBW-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000423510556 780442594 /nfs/dbraw/zinc/44/25/94/780442594.db2.gz MNPYPQKSLMPJFM-HZPDHXFCSA-N 2 0 284.407 2.857 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)ccc2O1 ZINC000922180718 780456375 /nfs/dbraw/zinc/45/63/75/780456375.db2.gz HDPNKJDZEFLSKC-HUUCEWRRSA-N 2 0 288.435 2.832 20 0 CFADRP C[NH+](C)CCCCNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001161731168 780491128 /nfs/dbraw/zinc/49/11/28/780491128.db2.gz SNGZQAJDPYPGRM-MRXNPFEDSA-N 2 0 261.413 2.865 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000700632157 780711405 /nfs/dbraw/zinc/71/14/05/780711405.db2.gz XDFMFVODXSHUNE-VIFPVBQESA-N 2 0 289.242 2.681 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CC2)CC[C@@H]1C(F)(F)F ZINC000700837873 780729123 /nfs/dbraw/zinc/72/91/23/780729123.db2.gz FRKVITQQSHRPER-NEPJUHHUSA-N 2 0 264.335 2.636 20 0 CFADRP Cc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1F ZINC001241280173 780754114 /nfs/dbraw/zinc/75/41/14/780754114.db2.gz QNLXFADRFPJLSX-UHFFFAOYSA-N 2 0 271.339 2.606 20 0 CFADRP CC[N@@H+]1CCc2cc(C3=CC[NH+](C)CC3)ccc2C1 ZINC001241319219 780778848 /nfs/dbraw/zinc/77/88/48/780778848.db2.gz FJMITSUNDTZPEF-UHFFFAOYSA-N 2 0 256.393 2.784 20 0 CFADRP C[N@H+]1CC=C(c2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001241327436 780782885 /nfs/dbraw/zinc/78/28/85/780782885.db2.gz LSCBSDFUSDNOMZ-UHFFFAOYSA-N 2 0 286.419 2.880 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc(C3CC[NH2+]CC3)cc2)C1 ZINC001241571455 780988152 /nfs/dbraw/zinc/98/81/52/780988152.db2.gz ZNSJVAMNPZLBAZ-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP c1nn(C2C[NH2+]C2)cc1-c1cccc(C[NH+]2CCCCC2)c1 ZINC001241602313 781010617 /nfs/dbraw/zinc/01/06/17/781010617.db2.gz DQVRYSCKZIBVTR-UHFFFAOYSA-N 2 0 296.418 2.680 20 0 CFADRP C[NH+]1CCC(c2ccc(-c3cnn(C4C[NH2+]C4)c3)cc2)CC1 ZINC001241619828 781022666 /nfs/dbraw/zinc/02/26/66/781022666.db2.gz DTUZFOMVUFCXPD-UHFFFAOYSA-N 2 0 296.418 2.504 20 0 CFADRP CC1(O)CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000703579273 781035217 /nfs/dbraw/zinc/03/52/17/781035217.db2.gz PEHBQGNSQDAYIV-RZFLTCLSSA-N 2 0 280.456 2.580 20 0 CFADRP FC1(F)CC12CC[NH+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000703885265 781075160 /nfs/dbraw/zinc/07/51/60/781075160.db2.gz LWWXQDRLGIMVGJ-YHWZYXNKSA-N 2 0 270.367 2.638 20 0 CFADRP C[C@H](CNCc1ccc(Cl)cn1)C[NH+]1CCCC1 ZINC000703933836 781081895 /nfs/dbraw/zinc/08/18/95/781081895.db2.gz DXYYVRNCGJVNMP-GFCCVEGCSA-N 2 0 267.804 2.557 20 0 CFADRP CC(C)([NH3+])c1cccc(-c2cnn(C3CC[NH2+]CC3)c2)c1 ZINC001241777365 781123989 /nfs/dbraw/zinc/12/39/89/781123989.db2.gz ORGFZJAPODVBLV-UHFFFAOYSA-N 2 0 284.407 2.668 20 0 CFADRP c1cc(N2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc[nH+]1 ZINC000704919627 781129254 /nfs/dbraw/zinc/12/92/54/781129254.db2.gz UNHSJZZCCZYDSZ-AWEZNQCLSA-N 2 0 291.464 2.783 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cscn3)c2)CC1 ZINC001241893091 781169153 /nfs/dbraw/zinc/16/91/53/781169153.db2.gz XMPCUBJQXUKYTA-UHFFFAOYSA-N 2 0 273.405 2.733 20 0 CFADRP Nc1[nH+]ccn1-c1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC001241916154 781179005 /nfs/dbraw/zinc/17/90/05/781179005.db2.gz GKXALRCTZPIPPU-UHFFFAOYSA-N 2 0 264.332 2.580 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH2+]C)C12CCCCC2 ZINC001118059453 781199086 /nfs/dbraw/zinc/19/90/86/781199086.db2.gz SDYPDOIQAWSZDT-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)CO2)[C@@H]1CCC[NH3+] ZINC000708362967 781272039 /nfs/dbraw/zinc/27/20/39/781272039.db2.gz VMCUUNIASDDGTE-RBSFLKMASA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000709652007 781296168 /nfs/dbraw/zinc/29/61/68/781296168.db2.gz BVXZZAJBGQHYKI-HZSPNIEDSA-N 2 0 268.445 2.652 20 0 CFADRP C(=C/c1cc(N2CC[NH2+]CC2)cc[nH+]1)\Cc1ccccc1 ZINC001242141779 781298130 /nfs/dbraw/zinc/29/81/30/781298130.db2.gz FFYBMIPNRXHGPI-XBXARRHUSA-N 2 0 279.387 2.747 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)O1 ZINC000709678813 781298727 /nfs/dbraw/zinc/29/87/27/781298727.db2.gz DKJJHGIHJBYNOD-KFWWJZLASA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cc(C[NH+](C)C)ccn2)cc1 ZINC001242148949 781301004 /nfs/dbraw/zinc/30/10/04/781301004.db2.gz DHFWEYWDDAHTSH-UHFFFAOYSA-N 2 0 299.418 2.751 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C(C)(C)O1 ZINC000709702066 781301781 /nfs/dbraw/zinc/30/17/81/781301781.db2.gz JFLURXCXFKOGKD-GBJTYRQASA-N 2 0 280.456 2.639 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCSC(F)(F)F ZINC000710706293 781334845 /nfs/dbraw/zinc/33/48/45/781334845.db2.gz SPEXTDFRELSLIK-UHFFFAOYSA-N 2 0 258.353 2.690 20 0 CFADRP CCc1cnc(C[N@H+](C)CCCCCC[NH3+])s1 ZINC000710764462 781338778 /nfs/dbraw/zinc/33/87/78/781338778.db2.gz GSOHQFFZCIZJEQ-UHFFFAOYSA-N 2 0 255.431 2.656 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc2c[nH]nc2c1 ZINC000710795839 781339534 /nfs/dbraw/zinc/33/95/34/781339534.db2.gz APOAKXWBNLUGBB-UHFFFAOYSA-N 2 0 260.385 2.514 20 0 CFADRP COc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1F ZINC000710819471 781340606 /nfs/dbraw/zinc/34/06/06/781340606.db2.gz STISYUUFWXUANI-UHFFFAOYSA-N 2 0 268.376 2.785 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(-c3cccs3)n2)CC1 ZINC001205058468 781376388 /nfs/dbraw/zinc/37/63/88/781376388.db2.gz NLELYWQPTCCNHK-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP C[N@H+](Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)nc1)C1CC1 ZINC001242675775 781691627 /nfs/dbraw/zinc/69/16/27/781691627.db2.gz DVMQZOQDDUSFKW-UHFFFAOYSA-N 2 0 279.387 2.946 20 0 CFADRP [NH3+][C@@H]1CCc2ccc(-c3ccc4c(c3)C[NH2+]C4)cc21 ZINC001242677581 781693886 /nfs/dbraw/zinc/69/38/86/781693886.db2.gz JJPXWPOOUSBCEG-QGZVFWFLSA-N 2 0 250.345 2.903 20 0 CFADRP Cc1cnc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc1C1C[NH2+]C1 ZINC001242693861 781699731 /nfs/dbraw/zinc/69/97/31/781699731.db2.gz YLVRYTZKZRXLAX-INIZCTEOSA-N 2 0 298.434 2.504 20 0 CFADRP c1nc2c(cc1C1=CC[C@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC001242692776 781700312 /nfs/dbraw/zinc/70/03/12/781700312.db2.gz NHMAJGVYHXRYAZ-KRWDZBQOSA-N 2 0 283.419 2.759 20 0 CFADRP C[C@H]([NH3+])c1cccc(-c2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC001242729763 781726921 /nfs/dbraw/zinc/72/69/21/781726921.db2.gz RCYOFTVJTLBLLC-ZDUSSCGKSA-N 2 0 284.407 2.837 20 0 CFADRP CCCn1nccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001242846970 781800274 /nfs/dbraw/zinc/80/02/74/781800274.db2.gz QQSZQVIXONEKHS-UHFFFAOYSA-N 2 0 298.434 2.883 20 0 CFADRP Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)nc1 ZINC001242907506 781836149 /nfs/dbraw/zinc/83/61/49/781836149.db2.gz LNICFIKFABTADM-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000124390734 187135747 /nfs/dbraw/zinc/13/57/47/187135747.db2.gz ZNTSJNUNYLIJEO-AWEZNQCLSA-N 2 0 296.480 2.975 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000594625232 349465911 /nfs/dbraw/zinc/46/59/11/349465911.db2.gz SWYSXJRVFGUAIV-PMPSAXMXSA-N 2 0 296.455 2.569 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128032 282087324 /nfs/dbraw/zinc/08/73/24/282087324.db2.gz VCHPPIVUBPTUJM-WDEREUQCSA-N 2 0 252.324 2.649 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000124808234 187154651 /nfs/dbraw/zinc/15/46/51/187154651.db2.gz OULAVMCUDGRQNQ-ZFWWWQNUSA-N 2 0 299.418 2.816 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000125045832 187167273 /nfs/dbraw/zinc/16/72/73/187167273.db2.gz WBZSOHYTFDKPLV-ZNMIVQPWSA-N 2 0 292.423 2.535 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000595011509 349548443 /nfs/dbraw/zinc/54/84/43/349548443.db2.gz FSZGVKZWZMNDKR-LSDHHAIUSA-N 2 0 298.471 2.676 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000595064582 349571925 /nfs/dbraw/zinc/57/19/25/349571925.db2.gz CKKLBOWDCXUQRE-KFWWJZLASA-N 2 0 282.497 2.982 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC2(CSC)CC2)CC1 ZINC000595076249 349575407 /nfs/dbraw/zinc/57/54/07/349575407.db2.gz YYORODBQPZNOMD-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125324562 187179264 /nfs/dbraw/zinc/17/92/64/187179264.db2.gz NJUKWZOSXFHDFQ-UAGQMJEPSA-N 2 0 258.409 2.863 20 0 CFADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423170547 529390026 /nfs/dbraw/zinc/39/00/26/529390026.db2.gz YCVMDJSOWAJNHR-ZOFXXKQRSA-N 2 0 280.456 2.558 20 0 CFADRP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423170545 529390198 /nfs/dbraw/zinc/39/01/98/529390198.db2.gz YCVMDJSOWAJNHR-JZAWBGDQSA-N 2 0 280.456 2.558 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130976 282162394 /nfs/dbraw/zinc/16/23/94/282162394.db2.gz YFTRCJJDYCHFKW-HOTGVXAUSA-N 2 0 268.445 2.641 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833274 529430815 /nfs/dbraw/zinc/43/08/15/529430815.db2.gz RLPOAHKHAXQDCP-VPSFDDGASA-N 2 0 258.409 2.880 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422931875 529494587 /nfs/dbraw/zinc/49/45/87/529494587.db2.gz YHUWBQQXRKENNZ-FZMZJTMJSA-N 2 0 282.815 2.695 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000334356148 282187506 /nfs/dbraw/zinc/18/75/06/282187506.db2.gz MKJLUYVWPTXGKU-CVEARBPZSA-N 2 0 280.456 2.894 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000070148440 346906497 /nfs/dbraw/zinc/90/64/97/346906497.db2.gz GYMRUNSKQKSOCY-HNNXBMFYSA-N 2 0 269.392 2.938 20 0 CFADRP COc1cc(C)c(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000070188486 346908092 /nfs/dbraw/zinc/90/80/92/346908092.db2.gz IGVKIFPLFLLTNH-UHFFFAOYSA-N 2 0 292.423 2.573 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(C)ccc1OC ZINC000423349245 529593501 /nfs/dbraw/zinc/59/35/01/529593501.db2.gz WFRRSQGRVVRLDH-INIZCTEOSA-N 2 0 274.408 2.964 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000422940833 529583998 /nfs/dbraw/zinc/58/39/98/529583998.db2.gz JHLYZNMNHTWVJJ-NRXISQOPSA-N 2 0 290.407 2.768 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1OC ZINC000423243039 529605526 /nfs/dbraw/zinc/60/55/26/529605526.db2.gz GCHKWHJTSMZIIL-ZFWWWQNUSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]CCCN1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422801483 529598454 /nfs/dbraw/zinc/59/84/54/529598454.db2.gz FMRITWKQGOWLFU-IRXDYDNUSA-N 2 0 287.451 2.559 20 0 CFADRP C[C@H](C1CCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000447299945 290032092 /nfs/dbraw/zinc/03/20/92/290032092.db2.gz AJDLTQAXTIEADB-XOIINTDNSA-N 2 0 282.472 2.588 20 0 CFADRP CC[C@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422914019 529600005 /nfs/dbraw/zinc/60/00/05/529600005.db2.gz ZUAQMACUPWVRGP-HOTGVXAUSA-N 2 0 264.388 2.879 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423116567 529613533 /nfs/dbraw/zinc/61/35/33/529613533.db2.gz QLALQPCRFNGLQQ-AGIUHOORSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596093990 349792747 /nfs/dbraw/zinc/79/27/47/349792747.db2.gz FXQIIJXPJJHKNH-DZGCQCFKSA-N 2 0 288.476 2.789 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000126587749 187249939 /nfs/dbraw/zinc/24/99/39/187249939.db2.gz ZHKVYJBOFMMKFN-HNNXBMFYSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000294986784 199285854 /nfs/dbraw/zinc/28/58/54/199285854.db2.gz GTUTZXHGAACQKP-GFCCVEGCSA-N 2 0 280.362 2.920 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126670290 187254832 /nfs/dbraw/zinc/25/48/32/187254832.db2.gz CMNFQJPXIUHWRU-INIZCTEOSA-N 2 0 289.467 2.568 20 0 CFADRP C[NH+](C)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297613946 282247005 /nfs/dbraw/zinc/24/70/05/282247005.db2.gz KVNQULBAEMZCLY-GOSISDBHSA-N 2 0 287.451 2.506 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Br)c1 ZINC000126746782 187259529 /nfs/dbraw/zinc/25/95/29/187259529.db2.gz KYZONWSRIALZHH-PWSUYJOCSA-N 2 0 283.213 2.618 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(Br)c1 ZINC000126746560 187259945 /nfs/dbraw/zinc/25/99/45/187259945.db2.gz KYZONWSRIALZHH-CMPLNLGQSA-N 2 0 283.213 2.618 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)s1 ZINC000423335556 529706759 /nfs/dbraw/zinc/70/67/59/529706759.db2.gz GLJVCLZYCBTGNQ-LLVKDONJSA-N 2 0 250.411 2.881 20 0 CFADRP Cc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cs1 ZINC000294992992 199288912 /nfs/dbraw/zinc/28/89/12/199288912.db2.gz HSNNLTBTHPRMDC-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP CCc1ccc([C@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000422736741 529723789 /nfs/dbraw/zinc/72/37/89/529723789.db2.gz WLJRKDDUCZBPSG-YOEHRIQHSA-N 2 0 277.456 2.569 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000423211254 529729780 /nfs/dbraw/zinc/72/97/80/529729780.db2.gz KRKQBYNVAKZBPP-JQWIXIFHSA-N 2 0 267.442 2.664 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300709536 282281808 /nfs/dbraw/zinc/28/18/08/282281808.db2.gz ICPIGODKIRIPRT-FVQBIDKESA-N 2 0 270.461 2.684 20 0 CFADRP CCc1nc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cs1 ZINC000422718464 529746980 /nfs/dbraw/zinc/74/69/80/529746980.db2.gz XIOKZNFTWBRARD-MNOVXSKESA-N 2 0 255.431 2.874 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423220628 529747761 /nfs/dbraw/zinc/74/77/61/529747761.db2.gz YNXGEGZYFUCVMB-NWDGAFQWSA-N 2 0 279.453 2.672 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(Oc3ccccc3)C2)C1 ZINC000668236264 539340185 /nfs/dbraw/zinc/34/01/85/539340185.db2.gz FWZJEXHQOMPNRD-KLHKWILBSA-N 2 0 288.435 2.918 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348065364 539347532 /nfs/dbraw/zinc/34/75/32/539347532.db2.gz QKMPVIVBJAAEDI-SJORKVTESA-N 2 0 288.435 2.905 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000128020428 187347196 /nfs/dbraw/zinc/34/71/96/187347196.db2.gz SMLSSKXRQSZPLT-CKEIUWERSA-N 2 0 294.414 2.913 20 0 CFADRP C[N@H+](CCCCNc1cc[nH+]c2ccccc12)C1CC1 ZINC000413348505 529882700 /nfs/dbraw/zinc/88/27/00/529882700.db2.gz OGIXRDKIUZITOR-UHFFFAOYSA-N 2 0 269.392 2.943 20 0 CFADRP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000220601691 539366076 /nfs/dbraw/zinc/36/60/76/539366076.db2.gz LWNFEDKNKQSEDA-WCQYABFASA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000220601635 539366082 /nfs/dbraw/zinc/36/60/82/539366082.db2.gz LWNFEDKNKQSEDA-YPMHNXCESA-N 2 0 256.459 2.733 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348089617 539381831 /nfs/dbraw/zinc/38/18/31/539381831.db2.gz UCLCIBPGSWEZCJ-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP CN(C)c1ncc(C[N@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000352544445 282318459 /nfs/dbraw/zinc/31/84/59/282318459.db2.gz ARLXLELSVGONQK-UHFFFAOYSA-N 2 0 296.484 2.550 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348114177 539386839 /nfs/dbraw/zinc/38/68/39/539386839.db2.gz GGRHXMKZLJOGRS-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)c(C)n1 ZINC000090668967 539388327 /nfs/dbraw/zinc/38/83/27/539388327.db2.gz JUYBUXZKKHCRPV-IUDNXUCKSA-N 2 0 290.455 2.864 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414857747 529971423 /nfs/dbraw/zinc/97/14/23/529971423.db2.gz FSMPNPAHCZNGKX-LLVKDONJSA-N 2 0 274.330 2.836 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423205495 529971626 /nfs/dbraw/zinc/97/16/26/529971626.db2.gz VYCIJFGYDZLOGD-ZDUSSCGKSA-N 2 0 283.213 2.636 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423200724 529971756 /nfs/dbraw/zinc/97/17/56/529971756.db2.gz MXILGXMNPCYCJO-SNVBAGLBSA-N 2 0 276.302 2.845 20 0 CFADRP CCSCC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007747 347047321 /nfs/dbraw/zinc/04/73/21/347047321.db2.gz LIOXLWQWJVDFKK-UHFFFAOYSA-N 2 0 288.501 2.562 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414858733 529970965 /nfs/dbraw/zinc/97/09/65/529970965.db2.gz KWNFWBUFDNXNMZ-UHFFFAOYSA-N 2 0 260.303 2.713 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000414849704 529985327 /nfs/dbraw/zinc/98/53/27/529985327.db2.gz YDMGRXVOPJYPMJ-SNVBAGLBSA-N 2 0 260.303 2.651 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414848046 529985434 /nfs/dbraw/zinc/98/54/34/529985434.db2.gz WQFIFKFPIQWKKX-OAHLLOKOSA-N 2 0 299.418 2.606 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423280335 529985766 /nfs/dbraw/zinc/98/57/66/529985766.db2.gz UOSSJZWUJCTNKZ-KGLIPLIRSA-N 2 0 286.423 2.687 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423279661 529985871 /nfs/dbraw/zinc/98/58/71/529985871.db2.gz SPIGCVCAUUKWRQ-ZWNOBZJWSA-N 2 0 268.401 2.808 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423256380 529985921 /nfs/dbraw/zinc/98/59/21/529985921.db2.gz BTIKQOCAKRASPE-IAQYHMDHSA-N 2 0 250.361 2.648 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000423285266 529986397 /nfs/dbraw/zinc/98/63/97/529986397.db2.gz ZHCMNEOGISHMJH-CXAGYDPISA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423280336 529999643 /nfs/dbraw/zinc/99/96/43/529999643.db2.gz UOSSJZWUJCTNKZ-UONOGXRCSA-N 2 0 286.423 2.687 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000423255582 529999867 /nfs/dbraw/zinc/99/98/67/529999867.db2.gz AIASCPCKVYUVCK-IAOVAPTHSA-N 2 0 294.414 2.881 20 0 CFADRP COC(C)(C)C[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000122092841 539449873 /nfs/dbraw/zinc/44/98/73/539449873.db2.gz YXSXNFRCDFPRSG-STQMWFEESA-N 2 0 256.434 2.510 20 0 CFADRP c1ccc(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000049072983 539467540 /nfs/dbraw/zinc/46/75/40/539467540.db2.gz YYUYADPSRZRMNZ-UHFFFAOYSA-N 2 0 281.403 2.836 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC000122637261 539468587 /nfs/dbraw/zinc/46/85/87/539468587.db2.gz HXPZAGJFGWXROG-UHFFFAOYSA-N 3 0 281.488 2.572 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154624415 232226394 /nfs/dbraw/zinc/22/63/94/232226394.db2.gz SCZHTHWXCDINKJ-KBPBESRZSA-N 2 0 262.397 2.830 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000154570243 232226628 /nfs/dbraw/zinc/22/66/28/232226628.db2.gz OCRNRHCZIVWHGQ-RDJZCZTQSA-N 2 0 260.425 3.000 20 0 CFADRP CC1=CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000668440208 539489631 /nfs/dbraw/zinc/48/96/31/539489631.db2.gz JMWZEGVAYVIKAK-QGZVFWFLSA-N 2 0 292.467 2.966 20 0 CFADRP CC[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123905370 539513151 /nfs/dbraw/zinc/51/31/51/539513151.db2.gz AEVKEZJOLOPWHS-AWEZNQCLSA-N 2 0 258.409 2.954 20 0 CFADRP CC[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123905135 539512988 /nfs/dbraw/zinc/51/29/88/539512988.db2.gz AEVKEZJOLOPWHS-CQSZACIVSA-N 2 0 258.409 2.954 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)CCCC[NH3+])C[C@@H]1OC ZINC000422945099 282454077 /nfs/dbraw/zinc/45/40/77/282454077.db2.gz UAJZVNNFMOFAFX-MJBXVCDLSA-N 2 0 256.434 2.687 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](C)[C@@H]1OC ZINC000422988805 282459832 /nfs/dbraw/zinc/45/98/32/282459832.db2.gz LHUSANMTCWJJCG-RQJABVFESA-N 2 0 256.434 2.543 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037621975 346332508 /nfs/dbraw/zinc/33/25/08/346332508.db2.gz OFCUNLXZQITVGO-QGZVFWFLSA-N 2 0 289.423 2.738 20 0 CFADRP COc1ccc(OC)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040621933 346346732 /nfs/dbraw/zinc/34/67/32/346346732.db2.gz BEVZRZKMPOTCRC-AWEZNQCLSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128377762 187367048 /nfs/dbraw/zinc/36/70/48/187367048.db2.gz HLTVXKVDKUPPIX-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044530152 346394991 /nfs/dbraw/zinc/39/49/91/346394991.db2.gz DFVNNWAFZYEMLI-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000047977849 346462731 /nfs/dbraw/zinc/46/27/31/346462731.db2.gz TYYPWBNOPZTXIX-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CSCC1(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000596650984 349968818 /nfs/dbraw/zinc/96/88/18/349968818.db2.gz NASHRYFRTAYANZ-OLZOCXBDSA-N 2 0 256.459 2.640 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000596653265 349969136 /nfs/dbraw/zinc/96/91/36/349969136.db2.gz UVORYGFSLIIWRP-HZSPNIEDSA-N 2 0 268.470 2.782 20 0 CFADRP c1ccc2c(c1)CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000062944698 346694320 /nfs/dbraw/zinc/69/43/20/346694320.db2.gz STPIHSYODOHZQR-OAHLLOKOSA-N 2 0 258.409 2.825 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000063165841 346697872 /nfs/dbraw/zinc/69/78/72/346697872.db2.gz PJGQSFUXUVOZIF-UHFFFAOYSA-N 2 0 296.798 2.500 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128495955 187374052 /nfs/dbraw/zinc/37/40/52/187374052.db2.gz ALVCDDZMGNCRNW-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087046062 347490824 /nfs/dbraw/zinc/49/08/24/347490824.db2.gz WNMJOFWWYHTRPM-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)C12CCC2 ZINC000087710487 347498445 /nfs/dbraw/zinc/49/84/45/347498445.db2.gz OKGHWHNVSLBWFH-ARFHVFGLSA-N 2 0 280.456 2.654 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1(C)C ZINC000085398034 347479891 /nfs/dbraw/zinc/47/98/91/347479891.db2.gz NZFLDHUXHGVMQQ-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000128567870 187378139 /nfs/dbraw/zinc/37/81/39/187378139.db2.gz ZPCRSVMWSCGBFM-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090578016 347553008 /nfs/dbraw/zinc/55/30/08/347553008.db2.gz BMTSEZKJXRESKV-YOEHRIQHSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000090853751 347559368 /nfs/dbraw/zinc/55/93/68/347559368.db2.gz GXHMZMUVRDCXRL-KDOFPFPSSA-N 2 0 272.436 2.721 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000090853753 347559415 /nfs/dbraw/zinc/55/94/15/347559415.db2.gz GXHMZMUVRDCXRL-KSSFIOAISA-N 2 0 272.436 2.721 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000092565405 347632235 /nfs/dbraw/zinc/63/22/35/347632235.db2.gz DTXBMWHPHMWYEP-BRWVUGGUSA-N 2 0 282.472 2.639 20 0 CFADRP CC[C@H](C)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000093066997 347660904 /nfs/dbraw/zinc/66/09/04/347660904.db2.gz GETGPMJFQGDQTJ-WMZOPIPTSA-N 2 0 289.467 2.611 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093491252 347677332 /nfs/dbraw/zinc/67/73/32/347677332.db2.gz MWHIJJHTUXBARQ-OKZBNKHCSA-N 3 0 293.499 2.619 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000093215160 347666110 /nfs/dbraw/zinc/66/61/10/347666110.db2.gz JYIDVJJOMZGQKR-CHWSQXEVSA-N 2 0 250.411 2.638 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccnc2ccccc12 ZINC000113701148 347768112 /nfs/dbraw/zinc/76/81/12/347768112.db2.gz VPJRWZXKACUIIK-DYVFJYSZSA-N 2 0 269.392 2.937 20 0 CFADRP CCc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000110645406 347749441 /nfs/dbraw/zinc/74/94/41/347749441.db2.gz IJPCWZUWTIBYMG-LLVKDONJSA-N 2 0 252.427 2.870 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000116387098 347786627 /nfs/dbraw/zinc/78/66/27/347786627.db2.gz ZRWCXVNCMYUCPK-SJORKVTESA-N 2 0 260.425 2.939 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000129054173 347857107 /nfs/dbraw/zinc/85/71/07/347857107.db2.gz ATFKPMMCACKBQO-AWEZNQCLSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cncc(F)c1 ZINC000396462155 539579966 /nfs/dbraw/zinc/57/99/66/539579966.db2.gz QIZXCEVVVYLORI-RYUDHWBXSA-N 2 0 265.376 2.602 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000153070327 347971871 /nfs/dbraw/zinc/97/18/71/347971871.db2.gz VOQNKQMZBSCHRW-UHFFFAOYSA-N 3 0 295.515 2.916 20 0 CFADRP CSCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000154759312 347982930 /nfs/dbraw/zinc/98/29/30/347982930.db2.gz MEWWKTLVPMHJQG-CYBMUJFWSA-N 2 0 282.453 2.641 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2)C[C@H](C)O1 ZINC000237668933 290844027 /nfs/dbraw/zinc/84/40/27/290844027.db2.gz OUYQHQJJMFYNQF-HOTGVXAUSA-N 2 0 276.424 2.666 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000215936084 348162854 /nfs/dbraw/zinc/16/28/54/348162854.db2.gz XEHZIPHQVOTIHZ-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000234803581 348222921 /nfs/dbraw/zinc/22/29/21/348222921.db2.gz XPJQFAFHNWFZGP-GJZGRUSLSA-N 2 0 294.439 2.878 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000229640989 348202943 /nfs/dbraw/zinc/20/29/43/348202943.db2.gz GGDLOKMGUWHCQX-UHFFFAOYSA-N 2 0 257.381 2.742 20 0 CFADRP C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251693089 348293091 /nfs/dbraw/zinc/29/30/91/348293091.db2.gz IKWXJCPSXNHNBI-SWLSCSKDSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251237039 348291400 /nfs/dbraw/zinc/29/14/00/348291400.db2.gz CPMBRFSTKQSSKQ-XBFCOCLRSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000252181636 348295275 /nfs/dbraw/zinc/29/52/75/348295275.db2.gz SYTJGKUFMVRUSG-LVQVYYBASA-N 2 0 268.445 2.654 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252777869 348298230 /nfs/dbraw/zinc/29/82/30/348298230.db2.gz KZYBWLOFDQUZAQ-ZFWWWQNUSA-N 2 0 262.397 2.645 20 0 CFADRP CSCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309687207 348406873 /nfs/dbraw/zinc/40/68/73/348406873.db2.gz BEIKHKLCXZZCCY-GDBMZVCRSA-N 2 0 278.465 2.850 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000128908439 187397768 /nfs/dbraw/zinc/39/77/68/187397768.db2.gz PDBQIEKQAKIDFM-GFCCVEGCSA-N 2 0 270.323 2.520 20 0 CFADRP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337188 348422770 /nfs/dbraw/zinc/42/27/70/348422770.db2.gz AQNHHOFCLOLFDE-GOEBONIOSA-N 2 0 284.403 2.950 20 0 CFADRP CCCN1CC[C@H]([NH2+]C2CCC(CSC)CC2)C1 ZINC000385856888 348534522 /nfs/dbraw/zinc/53/45/22/348534522.db2.gz RDDWLHLLCAXSIU-NRXISQOPSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[NH+]1CCC(N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000125853199 539653205 /nfs/dbraw/zinc/65/32/05/539653205.db2.gz FDIPXNWSGFHCNF-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCN(C)c2ccccc2)CC1 ZINC000125858808 539653317 /nfs/dbraw/zinc/65/33/17/539653317.db2.gz AKMCICNXMSLOHL-UHFFFAOYSA-N 2 0 275.440 2.587 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC000400011299 348570783 /nfs/dbraw/zinc/57/07/83/348570783.db2.gz FCZYEHINHGEKMW-OPKDVZQQSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400995994 348576276 /nfs/dbraw/zinc/57/62/76/348576276.db2.gz KPEIZSNORUJRIY-NMFUWQPSSA-N 2 0 264.438 2.657 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000230987485 539663507 /nfs/dbraw/zinc/66/35/07/539663507.db2.gz PRFZQRCNNAGIAL-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000092327451 539676199 /nfs/dbraw/zinc/67/61/99/539676199.db2.gz RFJIOVDPTWQABJ-MNOVXSKESA-N 2 0 265.401 2.672 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCc3sccc3C2)CC[NH2+]1 ZINC000666639320 539667594 /nfs/dbraw/zinc/66/75/94/539667594.db2.gz UXDCOWAQOUFIMH-OLZOCXBDSA-N 2 0 264.438 2.884 20 0 CFADRP CS[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000590656517 348922818 /nfs/dbraw/zinc/92/28/18/348922818.db2.gz CBCNSSCTIGRYFA-MRXNPFEDSA-N 2 0 294.464 2.564 20 0 CFADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397663072 539701993 /nfs/dbraw/zinc/70/19/93/539701993.db2.gz HJPQHJSOSCZJGN-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591082428 348985502 /nfs/dbraw/zinc/98/55/02/348985502.db2.gz GKIAOMBJZHPTCA-OAHLLOKOSA-N 2 0 289.354 2.868 20 0 CFADRP c1cnn(CCCCC[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000591868859 349052878 /nfs/dbraw/zinc/05/28/78/349052878.db2.gz GXQTVTCJFILJNP-INIZCTEOSA-N 2 0 287.411 2.587 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591869476 349052922 /nfs/dbraw/zinc/05/29/22/349052922.db2.gz YPIKASOVLIGZAS-UKRRQHHQSA-N 2 0 256.353 2.676 20 0 CFADRP c1ccc(CSCC[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000591281826 349006129 /nfs/dbraw/zinc/00/61/29/349006129.db2.gz MTLIDQXIFJMGJM-HNNXBMFYSA-N 2 0 276.449 2.652 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000414234066 233201941 /nfs/dbraw/zinc/20/19/41/233201941.db2.gz SGTJQTRCHMWHDJ-BBRMVZONSA-N 2 0 268.445 2.652 20 0 CFADRP COC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCCC1 ZINC000414193817 233193123 /nfs/dbraw/zinc/19/31/23/233193123.db2.gz UYPNNMCGUCOMDK-INIZCTEOSA-N 2 0 273.380 2.629 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1O ZINC000414197451 233193716 /nfs/dbraw/zinc/19/37/16/233193716.db2.gz VTRMJKOPCQFYTQ-ZIAGYGMSSA-N 2 0 292.423 2.783 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414204055 233194723 /nfs/dbraw/zinc/19/47/23/233194723.db2.gz ZTQQIFURFASADQ-CABCVRRESA-N 2 0 261.413 2.773 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccncc1F ZINC000414201379 233194936 /nfs/dbraw/zinc/19/49/36/233194936.db2.gz YCTCKKKNVKMVTM-QWHCGFSZSA-N 2 0 265.376 2.603 20 0 CFADRP CSC1(C[NH2+]CCC[N@H+](C)CC(C)C)CCC1 ZINC000593644395 349303256 /nfs/dbraw/zinc/30/32/56/349303256.db2.gz DKFCWKARVRGNLL-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000219323310 539731744 /nfs/dbraw/zinc/73/17/44/539731744.db2.gz ZHIHGOJDUJNUQQ-AWEZNQCLSA-N 2 0 298.427 2.530 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000305766450 539734068 /nfs/dbraw/zinc/73/40/68/539734068.db2.gz HLVFFHAHCCUZQT-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP CS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000593653297 349304886 /nfs/dbraw/zinc/30/48/86/349304886.db2.gz BSXPSWLVHSPAOM-BYNSBNAKSA-N 2 0 268.470 2.877 20 0 CFADRP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCC3CCCCC3)CC2)C1 ZINC000668738486 539739488 /nfs/dbraw/zinc/73/94/88/539739488.db2.gz DOLRCWNMSZDTBP-GOSISDBHSA-N 2 0 294.483 2.878 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000597247897 350071981 /nfs/dbraw/zinc/07/19/81/350071981.db2.gz HYPYDPCOSHJTHH-GJZGRUSLSA-N 2 0 268.470 2.592 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090578246 180008608 /nfs/dbraw/zinc/00/86/08/180008608.db2.gz IJUKMYJBHMOMSO-MPGHIAIKSA-N 2 0 290.451 2.946 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090578247 180008731 /nfs/dbraw/zinc/00/87/31/180008731.db2.gz IJUKMYJBHMOMSO-HDMKZQKVSA-N 2 0 290.451 2.946 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000090721820 180031580 /nfs/dbraw/zinc/03/15/80/180031580.db2.gz QLNCXBHZWDUABC-BXUZGUMPSA-N 2 0 288.395 2.550 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000414659549 233316961 /nfs/dbraw/zinc/31/69/61/233316961.db2.gz NHIODXMZHAMWMF-VYDXJSESSA-N 2 0 260.425 2.924 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC000414673737 233322996 /nfs/dbraw/zinc/32/29/96/233322996.db2.gz JPEGSELWGLLMGR-NJAFHUGGSA-N 2 0 272.436 2.939 20 0 CFADRP [NH3+]Cc1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000414648127 233315225 /nfs/dbraw/zinc/31/52/25/233315225.db2.gz RPZQBQPYMFMFLB-UHFFFAOYSA-N 2 0 298.390 2.537 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC000414692933 233328838 /nfs/dbraw/zinc/32/88/38/233328838.db2.gz MHJOBZMBPFPQER-JKIFEVAISA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000414798099 233356586 /nfs/dbraw/zinc/35/65/86/233356586.db2.gz DTZICBOJIQBQBP-JTQLQIEISA-N 2 0 274.330 2.963 20 0 CFADRP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)ccc1F ZINC000414761571 233345261 /nfs/dbraw/zinc/34/52/61/233345261.db2.gz UDGQIZCNRJRRCR-UKRRQHHQSA-N 2 0 264.388 2.954 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414776314 233348445 /nfs/dbraw/zinc/34/84/45/233348445.db2.gz GZYFWYLSTXFKLK-HZPDHXFCSA-N 2 0 274.408 2.517 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000414789399 233351742 /nfs/dbraw/zinc/35/17/42/233351742.db2.gz OFVCOHDWNPXXHU-JLLHVBAKSA-N 2 0 286.419 2.528 20 0 CFADRP c1cc(C[NH2+]C2CC[NH2+]CC2)cc(-c2ccncc2)c1 ZINC000414788466 233352333 /nfs/dbraw/zinc/35/23/33/233352333.db2.gz MSYGIXWCTOSRRC-UHFFFAOYSA-N 2 0 267.376 2.590 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789055 233352463 /nfs/dbraw/zinc/35/24/63/233352463.db2.gz XSZWOXRIOCLLOF-HZPDHXFCSA-N 2 0 288.435 2.907 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789049 233352572 /nfs/dbraw/zinc/35/25/72/233352572.db2.gz XSZWOXRIOCLLOF-CVEARBPZSA-N 2 0 288.435 2.907 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000414792328 233353682 /nfs/dbraw/zinc/35/36/82/233353682.db2.gz CDHGXVUBFJXLAG-NOZJJQNGSA-N 2 0 256.752 2.696 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1Cl ZINC000414802652 233357823 /nfs/dbraw/zinc/35/78/23/233357823.db2.gz KZZRLTBUYCLBNJ-LLVKDONJSA-N 2 0 297.830 2.692 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414805474 233358481 /nfs/dbraw/zinc/35/84/81/233358481.db2.gz YOCSECPAKJPZJA-XJKSGUPXSA-N 2 0 264.413 2.589 20 0 CFADRP Cc1ccc2ncc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)n2c1 ZINC000414810480 233360658 /nfs/dbraw/zinc/36/06/58/233360658.db2.gz OGDAGPIZMYVONT-AWEZNQCLSA-N 2 0 294.402 2.952 20 0 CFADRP CCn1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000414808953 233361324 /nfs/dbraw/zinc/36/13/24/233361324.db2.gz SVQCUCFNDGSGDG-HIFRSBDPSA-N 2 0 286.423 2.663 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC000414809335 233361691 /nfs/dbraw/zinc/36/16/91/233361691.db2.gz MELOSUILMHDUSV-NSHDSACASA-N 2 0 290.436 2.519 20 0 CFADRP C[C@@H]([NH2+]CCSCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414824636 233366747 /nfs/dbraw/zinc/36/67/47/233366747.db2.gz RAJAJKWQLCZDBJ-ZBFHGGJFSA-N 2 0 278.465 2.898 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414849085 233377056 /nfs/dbraw/zinc/37/70/56/233377056.db2.gz HDBCWGKGALLCRP-UKRRQHHQSA-N 2 0 264.388 2.736 20 0 CFADRP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414831857 233370180 /nfs/dbraw/zinc/37/01/80/233370180.db2.gz QBVLEWGWEVUBBI-LBPRGKRZSA-N 2 0 289.810 2.977 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831170 233370328 /nfs/dbraw/zinc/37/03/28/233370328.db2.gz PPUMAJVUZRGTRP-JTUUTPGSSA-N 2 0 258.409 2.799 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414832692 233371711 /nfs/dbraw/zinc/37/17/11/233371711.db2.gz OPCBCMJHQPLFOB-GOEBONIOSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414834415 233371900 /nfs/dbraw/zinc/37/19/00/233371900.db2.gz QRIUBUKFYGKPBJ-OCCSQVGLSA-N 2 0 266.816 2.860 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414834611 233372063 /nfs/dbraw/zinc/37/20/63/233372063.db2.gz SWTJHHBUOUSHIB-LBPRGKRZSA-N 2 0 297.240 2.847 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1F ZINC000105480381 186059271 /nfs/dbraw/zinc/05/92/71/186059271.db2.gz WSOPBRWKRXFMOP-SWLSCSKDSA-N 2 0 250.361 2.564 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000414841110 233374154 /nfs/dbraw/zinc/37/41/54/233374154.db2.gz YWTDUPWWXQLAPL-HDEZJCGLSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000414861960 233382929 /nfs/dbraw/zinc/38/29/29/233382929.db2.gz XBHASABKTSSMBU-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP Cc1cc(CNCC2([NH3+])CCC2)cc2cccnc12 ZINC000414870191 233384731 /nfs/dbraw/zinc/38/47/31/233384731.db2.gz BKJRRIBXOKPMJQ-UHFFFAOYSA-N 2 0 255.365 2.514 20 0 CFADRP Cc1cc(Cl)cc(C)c1CN[C@@H]1CCC[NH2+]C1 ZINC000414870440 233384836 /nfs/dbraw/zinc/38/48/36/233384836.db2.gz SQDWRYDHPSVTFL-CYBMUJFWSA-N 2 0 252.789 2.798 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414887251 233388930 /nfs/dbraw/zinc/38/89/30/233388930.db2.gz DEDVWILRZRKNOY-JTQLQIEISA-N 2 0 260.303 2.841 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414884667 233389627 /nfs/dbraw/zinc/38/96/27/233389627.db2.gz VZMGAIFUBJFXRJ-WDEREUQCSA-N 2 0 274.330 2.821 20 0 CFADRP FC(F)COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414900892 233392392 /nfs/dbraw/zinc/39/23/92/233392392.db2.gz FFYAVZSDKAKNQD-CYBMUJFWSA-N 2 0 284.350 2.562 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414904806 233393906 /nfs/dbraw/zinc/39/39/06/233393906.db2.gz NZYLLFAJPAVLSH-HNNXBMFYSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414906829 233395115 /nfs/dbraw/zinc/39/51/15/233395115.db2.gz PNPAUBDCQVVFBP-UKRRQHHQSA-N 2 0 264.388 2.879 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1F ZINC000414908341 233396492 /nfs/dbraw/zinc/39/64/92/233396492.db2.gz QVPDZLGHHNIMII-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP FC(F)Oc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000414914273 233397248 /nfs/dbraw/zinc/39/72/48/233397248.db2.gz KIOWORLJZDACRN-GFCCVEGCSA-N 2 0 270.323 2.520 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414915645 233398224 /nfs/dbraw/zinc/39/82/24/233398224.db2.gz OJLKKAFUEMUUTM-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414920464 233398770 /nfs/dbraw/zinc/39/87/70/233398770.db2.gz ZLLYHYUTGNEFRG-CZUORRHYSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414919909 233399775 /nfs/dbraw/zinc/39/97/75/233399775.db2.gz WBDRNPRIERYIMM-XBFCOCLRSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414927857 233401978 /nfs/dbraw/zinc/40/19/78/233401978.db2.gz AENRCRUGACACDZ-MFKMUULPSA-N 2 0 272.314 2.936 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415018173 233438196 /nfs/dbraw/zinc/43/81/96/233438196.db2.gz GOHIULCRCNWIFN-LLVKDONJSA-N 2 0 285.229 2.975 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3=Cc4ccccc4OC3)CC[C@@H]21 ZINC000092043371 180311017 /nfs/dbraw/zinc/31/10/17/180311017.db2.gz SCWOISFSRLJYLR-MSOLQXFVSA-N 2 0 298.430 2.879 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000415022451 233439402 /nfs/dbraw/zinc/43/94/02/233439402.db2.gz ZLUGLSFUPYXAQY-ZDUSSCGKSA-N 2 0 272.396 2.684 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000415142001 233475943 /nfs/dbraw/zinc/47/59/43/233475943.db2.gz QGOHRPIFZDQVJK-AVVWSFFYSA-N 2 0 291.414 2.512 20 0 CFADRP CSC1(C[NH2+][C@H](C)C2CC(F)(F)C2)CC[NH+](C)CC1 ZINC000600166689 350527461 /nfs/dbraw/zinc/52/74/61/350527461.db2.gz ZDRFYKHKEXXHGH-LLVKDONJSA-N 2 0 292.439 2.837 20 0 CFADRP C[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CC[NH+](C)CC1 ZINC000110117140 186285352 /nfs/dbraw/zinc/28/53/52/186285352.db2.gz RORJDNVEAQWTMP-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000110645013 186309083 /nfs/dbraw/zinc/30/90/83/186309083.db2.gz KNRQEQWCHJRWNP-NSHDSACASA-N 2 0 284.350 2.847 20 0 CFADRP CSC1(C[NH2+]CC2CCSCC2)CC[NH+](C)CC1 ZINC000602668299 350968309 /nfs/dbraw/zinc/96/83/09/350968309.db2.gz USWCRORQPFMFFS-UHFFFAOYSA-N 2 0 288.526 2.547 20 0 CFADRP CSC1(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000602736859 351008263 /nfs/dbraw/zinc/00/82/63/351008263.db2.gz QMXIHROKHLIWIY-UHFFFAOYSA-N 2 0 268.470 2.832 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000605595379 351255518 /nfs/dbraw/zinc/25/55/18/351255518.db2.gz UVRKLIKIGHWQIK-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000608497599 351445500 /nfs/dbraw/zinc/44/55/00/351445500.db2.gz HEWTYVKBFPQQMD-QGZVFWFLSA-N 2 0 287.451 2.670 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000121259326 186960884 /nfs/dbraw/zinc/96/08/84/186960884.db2.gz DNZKGKIBBFYMQC-ZACQAIPSSA-N 2 0 292.467 2.800 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](CC(C)C)CC1 ZINC000122141986 187017061 /nfs/dbraw/zinc/01/70/61/187017061.db2.gz VENFGCCHCDRPIN-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP C[C@@H](CNCc1ccccc1Br)C[NH+](C)C ZINC000291728567 198072465 /nfs/dbraw/zinc/07/24/65/198072465.db2.gz NLLAYGDTMWTESE-NSHDSACASA-N 2 0 285.229 2.736 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cncs2)CC1 ZINC000121700764 186990485 /nfs/dbraw/zinc/99/04/85/186990485.db2.gz NWQYLXBYNVBJHX-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000291745075 198077722 /nfs/dbraw/zinc/07/77/22/198077722.db2.gz PJQIEIYMKVBXNC-CQSZACIVSA-N 2 0 286.423 2.672 20 0 CFADRP CC[C@H](COC)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123069548 187069176 /nfs/dbraw/zinc/06/91/76/187069176.db2.gz OLQVZYJGSLUDHM-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP CCSCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123144960 187074019 /nfs/dbraw/zinc/07/40/19/187074019.db2.gz UBAHWDQEPJTXAC-UHFFFAOYSA-N 2 0 258.475 2.793 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cncs2)CC1 ZINC000122696502 187046403 /nfs/dbraw/zinc/04/64/03/187046403.db2.gz PAZJATWYEKSNGF-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP Cc1cscc1C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000122985547 187063823 /nfs/dbraw/zinc/06/38/23/187063823.db2.gz USMVHEWPHZLQIU-YPMHNXCESA-N 2 0 250.411 2.771 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247681 282984762 /nfs/dbraw/zinc/98/47/62/282984762.db2.gz LOEVONSZOJSQLB-IINYFYTJSA-N 2 0 266.335 2.541 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000123591557 187099613 /nfs/dbraw/zinc/09/96/13/187099613.db2.gz CKEYNEICKFEFBM-KRWDZBQOSA-N 2 0 286.423 2.723 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819940 539825791 /nfs/dbraw/zinc/82/57/91/539825791.db2.gz QYIFMAVVHTZXFH-YVSFHVDLSA-N 2 0 262.441 2.887 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000123939080 187115187 /nfs/dbraw/zinc/11/51/87/187115187.db2.gz FVFCIBFXXAGLNB-CQSZACIVSA-N 2 0 286.423 2.723 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000134162050 539828327 /nfs/dbraw/zinc/82/83/27/539828327.db2.gz NRGUIERZFVRGIW-ROUUACIJSA-N 2 0 293.499 2.596 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000132091151 187607614 /nfs/dbraw/zinc/60/76/14/187607614.db2.gz DSBYVHPIWJPZFH-UKRRQHHQSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(F)c2F)CC[N@@H+]1C ZINC000271518872 191188934 /nfs/dbraw/zinc/18/89/34/191188934.db2.gz UOHSKOLTDOFDBU-AAEUAGOBSA-N 2 0 268.351 2.580 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000617216786 352518271 /nfs/dbraw/zinc/51/82/71/352518271.db2.gz UDTUXMNBHUXQCC-HNNXBMFYSA-N 2 0 298.471 2.630 20 0 CFADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216065362 539899951 /nfs/dbraw/zinc/89/99/51/539899951.db2.gz IAIYCAJBKGIATB-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP c1cc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)ccc2cn1 ZINC000232574015 539901694 /nfs/dbraw/zinc/90/16/94/539901694.db2.gz GYZYGMVMZYLCFK-HNNXBMFYSA-N 2 0 281.403 2.809 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000232970483 539911938 /nfs/dbraw/zinc/91/19/38/539911938.db2.gz IOWUEEBKLZLJKH-HOTGVXAUSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCc2ccccc21 ZINC000336841934 295852117 /nfs/dbraw/zinc/85/21/17/295852117.db2.gz SQBUIZJQIMORGP-HNNXBMFYSA-N 2 0 275.440 2.546 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000221788779 539957300 /nfs/dbraw/zinc/95/73/00/539957300.db2.gz GTJXFRSGQCBZHH-UHFFFAOYSA-N 2 0 286.423 2.692 20 0 CFADRP CC[C@@H](COC)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152899878 188051868 /nfs/dbraw/zinc/05/18/68/188051868.db2.gz PKCWCPJRUOSRHZ-ZBFHGGJFSA-N 2 0 294.439 2.703 20 0 CFADRP C[N@@H+](Cc1ccc(F)c(F)c1)CC1CC[NH+](C)CC1 ZINC000154772307 188160745 /nfs/dbraw/zinc/16/07/45/188160745.db2.gz MBTCMQSUSNWHLC-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000234249837 539987140 /nfs/dbraw/zinc/98/71/40/539987140.db2.gz MCQPSJHYMHZVMI-UHFFFAOYSA-N 2 0 257.381 2.666 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000341830992 535215851 /nfs/dbraw/zinc/21/58/51/535215851.db2.gz IDYHLUVCSCITCZ-UHFFFAOYSA-N 2 0 292.471 2.635 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000621780004 353423367 /nfs/dbraw/zinc/42/33/67/353423367.db2.gz MFVIMUYYJMNDDG-WBVHZDCISA-N 2 0 274.408 2.659 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCCCC1(F)F)C2 ZINC000621784710 353426067 /nfs/dbraw/zinc/42/60/67/353426067.db2.gz UCIJHPRNKOZXPY-UPJWGTAASA-N 2 0 258.356 2.625 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000621733184 353411642 /nfs/dbraw/zinc/41/16/42/353411642.db2.gz DRYLQBVKNUOLEP-LBPRGKRZSA-N 2 0 281.350 2.685 20 0 CFADRP COc1ccccc1/C=C/CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292679920 198372983 /nfs/dbraw/zinc/37/29/83/198372983.db2.gz AONZIULVIUUVLJ-SUQGKYDKSA-N 2 0 286.419 2.736 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292739831 198394905 /nfs/dbraw/zinc/39/49/05/198394905.db2.gz HHHNMARVVXRRGA-KRWDZBQOSA-N 2 0 258.409 2.831 20 0 CFADRP CCCc1ccc(C[NH2+]CCc2cncn2C)s1 ZINC000623085812 353585162 /nfs/dbraw/zinc/58/51/62/353585162.db2.gz GONALRNWCVIWCB-UHFFFAOYSA-N 2 0 263.410 2.766 20 0 CFADRP CN(CCC[NH2+]Cc1ccc(C(F)F)cc1)CC[NH+](C)C ZINC000623087878 353586399 /nfs/dbraw/zinc/58/63/99/353586399.db2.gz MQSARMDPXNAJFS-UHFFFAOYSA-N 2 0 299.409 2.597 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623353010 353621933 /nfs/dbraw/zinc/62/19/33/353621933.db2.gz YDEWKXSKKGHXGU-INIZCTEOSA-N 2 0 281.488 2.569 20 0 CFADRP CCC(CC)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353503 353622604 /nfs/dbraw/zinc/62/26/04/353622604.db2.gz NUCKYVBLGNBVOG-HZPDHXFCSA-N 2 0 283.504 2.815 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623357962 353623889 /nfs/dbraw/zinc/62/38/89/353623889.db2.gz JFJBGYXDZZWHBY-SJORKVTESA-N 3 0 295.515 2.961 20 0 CFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623374664 353628981 /nfs/dbraw/zinc/62/89/81/353628981.db2.gz KGNWMDGXVKSFCT-YYIAUSFCSA-N 2 0 295.515 2.815 20 0 CFADRP CCOc1cc(C[NH2+]CCCC[NH+](C)C)c(F)cc1OC ZINC000623383445 353631461 /nfs/dbraw/zinc/63/14/61/353631461.db2.gz UVAXTYCORQAGBA-UHFFFAOYSA-N 2 0 298.402 2.664 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)CC1(C)C ZINC000623398878 353634751 /nfs/dbraw/zinc/63/47/51/353634751.db2.gz RCRBOVMHYFPWQZ-HNNXBMFYSA-N 3 0 290.455 2.736 20 0 CFADRP COC[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418132 353638884 /nfs/dbraw/zinc/63/88/84/353638884.db2.gz CWFPPNVYURXNNO-HOTGVXAUSA-N 2 0 276.424 2.837 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623425188 353640542 /nfs/dbraw/zinc/64/05/42/353640542.db2.gz UNISFBWMDCNJBL-ZIAGYGMSSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623426786 353641831 /nfs/dbraw/zinc/64/18/31/353641831.db2.gz ZYODUVAJVVQOIJ-SMDDNHRTSA-N 2 0 279.428 2.685 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623431862 353643299 /nfs/dbraw/zinc/64/32/99/353643299.db2.gz VILPRQPRNWCXQS-INIZCTEOSA-N 3 0 281.488 2.571 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623433459 353643338 /nfs/dbraw/zinc/64/33/38/353643338.db2.gz KDXPLUFMVZPDPR-GFCCVEGCSA-N 2 0 281.469 2.710 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)CC1(C)C ZINC000623454961 353649353 /nfs/dbraw/zinc/64/93/53/353649353.db2.gz VZXZQUBNXZRBOD-HRCADAONSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623470582 353651293 /nfs/dbraw/zinc/65/12/93/353651293.db2.gz QZUHSIFXZHNJFI-GPANFISMSA-N 3 0 281.488 2.569 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338421 353618227 /nfs/dbraw/zinc/61/82/27/353618227.db2.gz ZUPMLOXRYJDDGD-KBPBESRZSA-N 2 0 295.496 2.813 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623341781 353618768 /nfs/dbraw/zinc/61/87/68/353618768.db2.gz QXFFIJAAMSRYPD-AWEZNQCLSA-N 2 0 286.423 2.917 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC1(C)C ZINC000623503309 353659008 /nfs/dbraw/zinc/65/90/08/353659008.db2.gz UJQAARRYTJYYSI-WMLDXEAASA-N 2 0 282.472 2.780 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526606 353664090 /nfs/dbraw/zinc/66/40/90/353664090.db2.gz JEDBLJMGEBHLHN-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP COc1cc(CNC[C@@H](C)C[NH+](C)C)ccc1Cl ZINC000623530132 353665285 /nfs/dbraw/zinc/66/52/85/353665285.db2.gz ODYNNEXTBGWEDC-LLVKDONJSA-N 2 0 270.804 2.636 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)CC1(C)C ZINC000623539293 353667515 /nfs/dbraw/zinc/66/75/15/353667515.db2.gz IXTLZYSOBSBADO-NWDGAFQWSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1(C)C ZINC000623560312 353671870 /nfs/dbraw/zinc/67/18/70/353671870.db2.gz AZUBPQJNBOBJBK-XHSDSOJGSA-N 2 0 280.456 2.797 20 0 CFADRP CCc1ncc(CNC[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000623656324 353696763 /nfs/dbraw/zinc/69/67/63/353696763.db2.gz SAGOMPWEXZFKAW-LBPRGKRZSA-N 2 0 267.442 2.527 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000623575153 353675794 /nfs/dbraw/zinc/67/57/94/353675794.db2.gz NCKGQSQLZJJSRB-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)CC1(C)C ZINC000623615000 353687646 /nfs/dbraw/zinc/68/76/46/353687646.db2.gz KSSDSNZEAARIAW-DOTOQJQBSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623484527 353654579 /nfs/dbraw/zinc/65/45/79/353654579.db2.gz VUMAQTGFFXGTLA-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCCO1 ZINC000623895694 353752308 /nfs/dbraw/zinc/75/23/08/353752308.db2.gz YXWIFFOBJJZHTF-GUYCJALGSA-N 2 0 294.414 2.935 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)n1 ZINC000623957913 353769040 /nfs/dbraw/zinc/76/90/40/353769040.db2.gz YUZPDWFIMQMLBB-GFCCVEGCSA-N 2 0 267.442 2.834 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCCCO1 ZINC000623959924 353769622 /nfs/dbraw/zinc/76/96/22/353769622.db2.gz CSLNNWBSLCYDTQ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1csc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000623971955 353771896 /nfs/dbraw/zinc/77/18/96/353771896.db2.gz MTPSSKCMHUNRTC-GFCCVEGCSA-N 2 0 279.453 2.977 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000624077258 353799112 /nfs/dbraw/zinc/79/91/12/353799112.db2.gz BXPDZODVIIVYIZ-MAUKXSAKSA-N 2 0 293.499 2.713 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCCC2)CCC1 ZINC000624077916 353799495 /nfs/dbraw/zinc/79/94/95/353799495.db2.gz HMOMVJDTOGITFE-HOCLYGCPSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)C2CC[NH+](C)CC2)nc1 ZINC000624113134 353809094 /nfs/dbraw/zinc/80/90/94/353809094.db2.gz YBMHTWWNZQLITR-OAHLLOKOSA-N 2 0 289.467 2.988 20 0 CFADRP COc1ccc([C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1O ZINC000624123018 353811379 /nfs/dbraw/zinc/81/13/79/353811379.db2.gz DCUAAYHVAONHLS-ZIAGYGMSSA-N 2 0 292.423 2.783 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000624123373 353812656 /nfs/dbraw/zinc/81/26/56/353812656.db2.gz KXGUIKPMYYBRAW-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000624123312 353813091 /nfs/dbraw/zinc/81/30/91/353813091.db2.gz JPWJKQGJYNRFEA-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP COC1(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCC1 ZINC000624123417 353813172 /nfs/dbraw/zinc/81/31/72/353813172.db2.gz LQKNVOISQYRYBS-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000624215065 353836944 /nfs/dbraw/zinc/83/69/44/353836944.db2.gz RBUILRINSUZNPE-UHFFFAOYSA-N 2 0 272.396 2.541 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000624298644 353856314 /nfs/dbraw/zinc/85/63/14/353856314.db2.gz WDBVJZFFOOBIGB-HJWJTTGWSA-N 2 0 280.456 2.797 20 0 CFADRP CN1CCOC[C@@H]1CNc1ccnc2cc(Cl)ccc21 ZINC000624619043 353914144 /nfs/dbraw/zinc/91/41/44/353914144.db2.gz SFXZRGQDSCYYPH-LBPRGKRZSA-N 2 0 291.782 2.631 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446887213 535249725 /nfs/dbraw/zinc/24/97/25/535249725.db2.gz PMZSBQSOALEEJI-DOTOQJQBSA-N 2 0 280.456 2.654 20 0 CFADRP CCO[C@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000625128605 353980706 /nfs/dbraw/zinc/98/07/06/353980706.db2.gz CIAJCYZMMYZDLW-MRXNPFEDSA-N 2 0 268.445 2.606 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000625179019 353989047 /nfs/dbraw/zinc/98/90/47/353989047.db2.gz PLWOGZIQLTZQCR-DLBZAZTESA-N 2 0 280.456 2.752 20 0 CFADRP CCO[C@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000625192844 353992394 /nfs/dbraw/zinc/99/23/94/353992394.db2.gz YOKGPVRMEAQXOR-JKSUJKDBSA-N 2 0 268.445 2.608 20 0 CFADRP CCO[C@H](C[N@H+](C)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000625192842 353992814 /nfs/dbraw/zinc/99/28/14/353992814.db2.gz YOKGPVRMEAQXOR-HZPDHXFCSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000625434938 354044513 /nfs/dbraw/zinc/04/45/13/354044513.db2.gz AHOYXTKZHLBEPO-UHFFFAOYSA-N 2 0 255.365 2.709 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000625453511 354051500 /nfs/dbraw/zinc/05/15/00/354051500.db2.gz NVPICZPYAMXOHY-GDBMZVCRSA-N 2 0 258.409 2.897 20 0 CFADRP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cc(C)ccc1C ZINC000626020351 354171864 /nfs/dbraw/zinc/17/18/64/354171864.db2.gz HVRRJODWMUSTAN-RDJZCZTQSA-N 2 0 278.440 2.657 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000449103238 291025623 /nfs/dbraw/zinc/02/56/23/291025623.db2.gz AAAIEZQISHGQNS-BBRMVZONSA-N 2 0 282.497 2.982 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423257632 283019792 /nfs/dbraw/zinc/01/97/92/283019792.db2.gz KKDVNNWAEQODOG-WBMJQRKESA-N 2 0 262.372 2.792 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)[C@H](C)C1 ZINC000628183338 354464088 /nfs/dbraw/zinc/46/40/88/354464088.db2.gz YAOMGYNOXNYGQY-CXAGYDPISA-N 2 0 286.423 2.725 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628202536 354475251 /nfs/dbraw/zinc/47/52/51/354475251.db2.gz YFKRJGBIHWMOKL-INIZCTEOSA-N 2 0 278.440 2.656 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000628208854 354476920 /nfs/dbraw/zinc/47/69/20/354476920.db2.gz GBWFAIWQCXYCCO-HOTGVXAUSA-N 2 0 282.472 2.639 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628208471 354476962 /nfs/dbraw/zinc/47/69/62/354476962.db2.gz ONDSUZJJAJBHQU-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628220816 354483665 /nfs/dbraw/zinc/48/36/65/354483665.db2.gz KWDLRCKVHNTDSV-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CC(F)(F)C1 ZINC000628304575 354533279 /nfs/dbraw/zinc/53/32/79/354533279.db2.gz GJZCOTGEWOOSQE-LLVKDONJSA-N 2 0 260.372 2.884 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@@]1(C)CCCS1 ZINC000628323116 354546386 /nfs/dbraw/zinc/54/63/86/354546386.db2.gz AGRSDDQTHHPPOB-CQSZACIVSA-N 2 0 258.475 2.840 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000628253380 354504901 /nfs/dbraw/zinc/50/49/01/354504901.db2.gz GDHFLHYXZWPJNL-QXSJWSMHSA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc4n[nH]cc43)C2)CC1 ZINC000628280150 354517907 /nfs/dbraw/zinc/51/79/07/354517907.db2.gz SDZPMFZACGKVSV-HNNXBMFYSA-N 2 0 298.434 2.727 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628295180 354524903 /nfs/dbraw/zinc/52/49/03/354524903.db2.gz DRPVUZMOFPBMOB-HUUCEWRRSA-N 2 0 268.470 2.690 20 0 CFADRP Cc1nc(C)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000628352836 354562569 /nfs/dbraw/zinc/56/25/69/354562569.db2.gz WHKGBOBOMHZEGM-UHFFFAOYSA-N 2 0 277.412 2.503 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(C)c1O ZINC000628425854 354586160 /nfs/dbraw/zinc/58/61/60/354586160.db2.gz XQKHVPNMDYVKLG-HNNXBMFYSA-N 2 0 276.424 2.831 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000629388640 354799068 /nfs/dbraw/zinc/79/90/68/354799068.db2.gz VALTYZHMBYDFDL-IRXDYDNUSA-N 2 0 288.435 2.810 20 0 CFADRP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387709 354799396 /nfs/dbraw/zinc/79/93/96/354799396.db2.gz JKYVMGWOIBAVFA-KBPBESRZSA-N 2 0 256.434 2.545 20 0 CFADRP [NH3+]CCCOCC[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000629400857 354802959 /nfs/dbraw/zinc/80/29/59/354802959.db2.gz LVLFDFHSZMSPHT-UHFFFAOYSA-N 2 0 276.424 2.799 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000629401433 354803073 /nfs/dbraw/zinc/80/30/73/354803073.db2.gz ANZKMQSYXYGSQA-NSHDSACASA-N 2 0 290.860 2.548 20 0 CFADRP C[NH2+]CCOCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000629530055 354833147 /nfs/dbraw/zinc/83/31/47/354833147.db2.gz UFRNYYJGZQTFLX-UHFFFAOYSA-N 2 0 284.403 2.602 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000629402729 354803941 /nfs/dbraw/zinc/80/39/41/354803941.db2.gz DQVCWSPCCBMIHS-AWEZNQCLSA-N 2 0 256.434 2.561 20 0 CFADRP CCO[C@H](C[N@H+](CCC[NH3+])CC1CCCC1)C1CC1 ZINC000629531281 354833605 /nfs/dbraw/zinc/83/36/05/354833605.db2.gz GMOAEGBZYDNDGJ-MRXNPFEDSA-N 2 0 268.445 2.643 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000629531428 354833617 /nfs/dbraw/zinc/83/36/17/354833617.db2.gz KWAHGWQRYSSDPN-GDBMZVCRSA-N 2 0 296.842 2.802 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514530 354824648 /nfs/dbraw/zinc/82/46/48/354824648.db2.gz NRFJYEUKCWAJLW-DAXOMENPSA-N 2 0 294.826 2.921 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514529 354824747 /nfs/dbraw/zinc/82/47/47/354824747.db2.gz NRFJYEUKCWAJLW-APHBMKBZSA-N 2 0 294.826 2.921 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cc2c1 ZINC000629516809 354825507 /nfs/dbraw/zinc/82/55/07/354825507.db2.gz QYCCFXAOUQKFAM-KBPBESRZSA-N 2 0 269.392 2.712 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000629530941 354834041 /nfs/dbraw/zinc/83/40/41/354834041.db2.gz VVBIDBHPUVLYAP-QGZVFWFLSA-N 2 0 290.451 2.916 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000629516460 354825620 /nfs/dbraw/zinc/82/56/20/354825620.db2.gz GUMIAXJMMZZJAJ-OCCSQVGLSA-N 2 0 261.413 2.683 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CCC2)nc1 ZINC000629520411 354827802 /nfs/dbraw/zinc/82/78/02/354827802.db2.gz VTCQKOWYIVDLNT-LISAXSMJSA-N 2 0 285.435 2.901 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]CC1([NH3+])CCOCC1)C1CCCCC1 ZINC000629522146 354828024 /nfs/dbraw/zinc/82/80/24/354828024.db2.gz WFNITLOLGDAOGY-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc2ccccc2c1 ZINC000629523337 354828701 /nfs/dbraw/zinc/82/87/01/354828701.db2.gz DPJFBNLWTMPVIX-AWEZNQCLSA-N 2 0 284.403 2.998 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000629523981 354828736 /nfs/dbraw/zinc/82/87/36/354828736.db2.gz PBFSAZDVLVTQOM-KGLIPLIRSA-N 2 0 261.413 2.527 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000629531429 354834161 /nfs/dbraw/zinc/83/41/61/354834161.db2.gz KWAHGWQRYSSDPN-GOEBONIOSA-N 2 0 296.842 2.802 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000629525405 354829629 /nfs/dbraw/zinc/82/96/29/354829629.db2.gz YLSGCMVBNXUBFL-GJZGRUSLSA-N 2 0 275.440 2.775 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000629528579 354831690 /nfs/dbraw/zinc/83/16/90/354831690.db2.gz CPDAVLQHWSRISE-IBGZPJMESA-N 2 0 298.430 2.796 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000629527793 354832110 /nfs/dbraw/zinc/83/21/10/354832110.db2.gz GAOKYFAXVYZABM-QSPRXWTASA-N 2 0 273.424 2.838 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629530573 354834256 /nfs/dbraw/zinc/83/42/56/354834256.db2.gz KDHOUTFURKERJG-ZBFHGGJFSA-N 2 0 296.842 2.802 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000629529292 354832624 /nfs/dbraw/zinc/83/26/24/354832624.db2.gz YDEDQDIWJSTDLN-CYBMUJFWSA-N 2 0 276.380 2.628 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3=Cc4ccccc4OC3)C[C@@H]21 ZINC000629646676 354874808 /nfs/dbraw/zinc/87/48/08/354874808.db2.gz BVAMVHSMYUCHAR-YESZJQIVSA-N 2 0 284.403 2.522 20 0 CFADRP c1ccc2c(c1)C=C(C[NH2+]CCC[C@H]1CCC[NH2+]1)CO2 ZINC000629649578 354876649 /nfs/dbraw/zinc/87/66/49/354876649.db2.gz WFFOXYSPFAKJIT-INIZCTEOSA-N 2 0 272.392 2.584 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629652308 354877649 /nfs/dbraw/zinc/87/76/49/354877649.db2.gz ZITRQWCISQRTPW-XJKSGUPXSA-N 2 0 272.392 2.522 20 0 CFADRP CCCc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629536478 354835929 /nfs/dbraw/zinc/83/59/29/354835929.db2.gz GRKROPRFGNXREW-AWEZNQCLSA-N 2 0 264.413 2.655 20 0 CFADRP CC(C)[C@H]([NH2+]CCOCCC[NH3+])c1cc(F)ccc1F ZINC000629538641 354837722 /nfs/dbraw/zinc/83/77/22/354837722.db2.gz NZLIMKCSOLVVNY-HNNXBMFYSA-N 2 0 286.366 2.617 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629538999 354837757 /nfs/dbraw/zinc/83/77/57/354837757.db2.gz NRISMFZCDKLZGK-NSHDSACASA-N 2 0 299.484 2.765 20 0 CFADRP Cc1cc([C@@H]([NH2+]CCOCCC[NH3+])C2CC2)ccc1F ZINC000629539844 354838596 /nfs/dbraw/zinc/83/85/96/354838596.db2.gz RPCWEFLHUXYIAO-INIZCTEOSA-N 2 0 280.387 2.540 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000629652366 354878220 /nfs/dbraw/zinc/87/82/20/354878220.db2.gz BCVZHLYSBZHWAH-HOTGVXAUSA-N 2 0 272.392 2.570 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)[C@@H]1CCC[NH3+] ZINC000629549740 354844820 /nfs/dbraw/zinc/84/48/20/354844820.db2.gz VQSSEDGXKXOMTB-CXAGYDPISA-N 2 0 294.414 2.657 20 0 CFADRP Cc1nc(C(C)C)ccc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000629552561 354846060 /nfs/dbraw/zinc/84/60/60/354846060.db2.gz MJIONHKHHYCWMP-WBVHZDCISA-N 2 0 273.424 2.827 20 0 CFADRP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CCOCC[NH2+]C ZINC000629571782 354849060 /nfs/dbraw/zinc/84/90/60/354849060.db2.gz QLGCPSARTIOMNW-OAHLLOKOSA-N 2 0 286.366 2.584 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(CC(C)C)cc1 ZINC000629570642 354849328 /nfs/dbraw/zinc/84/93/28/354849328.db2.gz FNQFRESAPZFFIZ-UHFFFAOYSA-N 2 0 278.440 2.553 20 0 CFADRP CC1(C)CC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629565622 354849360 /nfs/dbraw/zinc/84/93/60/354849360.db2.gz WOKBLCCTEGQALJ-RYUDHWBXSA-N 2 0 278.362 2.882 20 0 CFADRP C[C@H]1CC(F)(F)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000629575673 354849423 /nfs/dbraw/zinc/84/94/23/354849423.db2.gz OMNOENLCEJWKED-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@H]([NH3+])CN1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000629582579 354849976 /nfs/dbraw/zinc/84/99/76/354849976.db2.gz VGAKQUZPQFSQIU-GMXVVIOVSA-N 2 0 297.240 2.974 20 0 CFADRP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCOCC[NH3+] ZINC000629578669 354850298 /nfs/dbraw/zinc/85/02/98/354850298.db2.gz LETQZIROBMCIFE-AWEZNQCLSA-N 2 0 278.440 2.952 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1c(C)cc(Cl)cc1C ZINC000629653717 354878625 /nfs/dbraw/zinc/87/86/25/354878625.db2.gz MHSMBCTWIPGZBX-UHFFFAOYSA-N 2 0 284.831 2.625 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000629653945 354878693 /nfs/dbraw/zinc/87/86/93/354878693.db2.gz NRIRKVXMNBOMSQ-GJZGRUSLSA-N 2 0 292.423 2.638 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000629654867 354879133 /nfs/dbraw/zinc/87/91/33/354879133.db2.gz SWUBADYWIJFJCM-UHFFFAOYSA-N 2 0 284.469 2.713 20 0 CFADRP COC1(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCCC1 ZINC000629655844 354879279 /nfs/dbraw/zinc/87/92/79/354879279.db2.gz XOYLMJNWGUJJMY-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc3c1CCC3)C2 ZINC000629664647 354883505 /nfs/dbraw/zinc/88/35/05/354883505.db2.gz ITJOPXNLGZFXRP-HDICACEKSA-N 2 0 270.420 2.607 20 0 CFADRP CC(C)CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657298 354880210 /nfs/dbraw/zinc/88/02/10/354880210.db2.gz VXQAPIQRXNCIIH-NWDGAFQWSA-N 2 0 266.351 2.882 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629662905 354882762 /nfs/dbraw/zinc/88/27/62/354882762.db2.gz FEYCGQHIFOJJPQ-BHYGNILZSA-N 2 0 258.409 2.722 20 0 CFADRP C[N@H+](CCOCC[NH3+])Cc1cc(-c2ccccc2)cs1 ZINC000629662960 354882835 /nfs/dbraw/zinc/88/28/35/354882835.db2.gz IQCBCMYQCVXUIG-UHFFFAOYSA-N 2 0 290.432 2.822 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccccc3CO)c2)CC1 ZINC000629741545 354919276 /nfs/dbraw/zinc/91/92/76/354919276.db2.gz XFTBIHLCBNUVJB-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)COC2 ZINC000271881104 191386094 /nfs/dbraw/zinc/38/60/94/191386094.db2.gz PLSWRCWGAVSGQR-ZDUSSCGKSA-N 2 0 272.392 2.629 20 0 CFADRP COC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000271880033 191386393 /nfs/dbraw/zinc/38/63/93/191386393.db2.gz PFTQQDSWKYURNN-INIZCTEOSA-N 2 0 296.361 2.504 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1N(C)C ZINC000271883254 191388558 /nfs/dbraw/zinc/38/85/58/191388558.db2.gz PUGDTLBUKCWVDC-ZDUSSCGKSA-N 2 0 291.414 2.804 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271845739 191363915 /nfs/dbraw/zinc/36/39/15/191363915.db2.gz HTKCDBXUCZAILX-AWEZNQCLSA-N 2 0 274.408 2.916 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cncc(OC)c1C ZINC000631029821 355254395 /nfs/dbraw/zinc/25/43/95/355254395.db2.gz IDYPVSOPKDWFTH-CQSZACIVSA-N 2 0 293.455 2.999 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000271856793 191372588 /nfs/dbraw/zinc/37/25/88/191372588.db2.gz YLIRVQFGKWDOES-SJORKVTESA-N 2 0 276.424 2.574 20 0 CFADRP Cc1cc(C)c(C[NH2+]CC2=CC[N@H+](C)CC2)c(C)c1 ZINC000271873065 191381779 /nfs/dbraw/zinc/38/17/79/191381779.db2.gz YGYVJJYIKVTSFA-UHFFFAOYSA-N 2 0 258.409 2.963 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1CC1 ZINC000631195401 355343187 /nfs/dbraw/zinc/34/31/87/355343187.db2.gz GOJRXJLFALLLOB-PBHICJAKSA-N 2 0 258.409 2.754 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1(F)CC1 ZINC000631196810 355344550 /nfs/dbraw/zinc/34/45/50/355344550.db2.gz VKKJPRWFUFXXRK-HOCLYGCPSA-N 2 0 276.399 2.846 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000631204749 355350193 /nfs/dbraw/zinc/35/01/93/355350193.db2.gz FCOIXKRSSYGBAT-LZLYRXPVSA-N 2 0 294.483 2.924 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631570269 355493021 /nfs/dbraw/zinc/49/30/21/355493021.db2.gz RVMLZILTTDWMNY-DAYGRLMNSA-N 2 0 286.419 2.899 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)n1 ZINC000631828970 355597018 /nfs/dbraw/zinc/59/70/18/355597018.db2.gz CVGSYPTXXKLHNC-PXAZEXFGSA-N 2 0 275.440 2.956 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(C)n1 ZINC000631826621 355597596 /nfs/dbraw/zinc/59/75/96/355597596.db2.gz SDVGRABVVFURDZ-HNNXBMFYSA-N 2 0 261.413 2.710 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000631838835 355601533 /nfs/dbraw/zinc/60/15/33/355601533.db2.gz VVJQRSFJWAIWFQ-KFNAQCHYSA-N 2 0 262.372 2.730 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837602 355601778 /nfs/dbraw/zinc/60/17/78/355601778.db2.gz VFLSZOJNONAIHU-BBRMVZONSA-N 2 0 276.424 2.845 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631841351 355604128 /nfs/dbraw/zinc/60/41/28/355604128.db2.gz JOGNZWSXWXNJOI-ZYHUDNBSSA-N 2 0 288.313 2.612 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000631872739 355610509 /nfs/dbraw/zinc/61/05/09/355610509.db2.gz FGRIJXHRJDWGRO-HOCLYGCPSA-N 2 0 250.430 2.888 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888693 355614350 /nfs/dbraw/zinc/61/43/50/355614350.db2.gz YZSXNEZABTYXKK-AEFFLSMTSA-N 2 0 288.435 2.702 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000229333665 540178889 /nfs/dbraw/zinc/17/88/89/540178889.db2.gz VAOFXPVQTOZNAH-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229641520 540183908 /nfs/dbraw/zinc/18/39/08/540183908.db2.gz ALPZMTAVLOKVCG-OAHLLOKOSA-N 2 0 271.408 2.988 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000166548319 540193434 /nfs/dbraw/zinc/19/34/34/540193434.db2.gz OBWCZDMJYRCHPW-UONOGXRCSA-N 2 0 279.453 2.519 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC2(CCCC2)O1 ZINC000299987802 540230305 /nfs/dbraw/zinc/23/03/05/540230305.db2.gz JMAHHYPVLJGRAU-ARFHVFGLSA-N 2 0 278.440 2.695 20 0 CFADRP Fc1cc(F)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000334376832 540244496 /nfs/dbraw/zinc/24/44/96/540244496.db2.gz FJFWLVRWVAFGGR-OAHLLOKOSA-N 2 0 266.335 2.540 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423132710 283187189 /nfs/dbraw/zinc/18/71/89/283187189.db2.gz CAANOILTJGIOTM-UONOGXRCSA-N 2 0 292.471 2.620 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000086894746 540255678 /nfs/dbraw/zinc/25/56/78/540255678.db2.gz AMZJNNMAZSPEQG-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H]([NH2+]CC1(O)CCC(C)(C)CC1)C1CC[NH+](C)CC1 ZINC000087046694 540258919 /nfs/dbraw/zinc/25/89/19/540258919.db2.gz DBQGDULGINUWDJ-AWEZNQCLSA-N 2 0 282.472 2.638 20 0 CFADRP CCCN(CC[C@@H]1CCC[N@@H+]1C)CC[NH+](CC)CC ZINC000359575083 283266774 /nfs/dbraw/zinc/26/67/74/283266774.db2.gz ZPEFEQLXNYBLEJ-INIZCTEOSA-N 2 0 269.477 2.525 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000336907444 540270907 /nfs/dbraw/zinc/27/09/07/540270907.db2.gz ZCNBFPPKONHLPJ-KRWDZBQOSA-N 2 0 288.435 2.700 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339071655 540281828 /nfs/dbraw/zinc/28/18/28/540281828.db2.gz STPIEGDZFIURRX-RCCFBDPRSA-N 2 0 293.499 2.857 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339075006 540282755 /nfs/dbraw/zinc/28/27/55/540282755.db2.gz OYAWCAXWCWWFAM-HRCADAONSA-N 2 0 268.445 2.654 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339067704 540282783 /nfs/dbraw/zinc/28/27/83/540282783.db2.gz KTKUKJFDOXKEBP-ROUUACIJSA-N 3 0 293.499 2.715 20 0 CFADRP CC[NH+](CC)CCCNCc1cc(OC)ccc1F ZINC000294328900 199000284 /nfs/dbraw/zinc/00/02/84/199000284.db2.gz YLQSESSXNJSCDJ-UHFFFAOYSA-N 2 0 268.376 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000414219332 283320756 /nfs/dbraw/zinc/32/07/56/283320756.db2.gz AWJTYXGMRQRTGM-XJKSGUPXSA-N 2 0 268.445 2.654 20 0 CFADRP c1cc(N2CC[NH+](CCC3CCCC3)CC2)cc[nH+]1 ZINC000151156107 540364935 /nfs/dbraw/zinc/36/49/35/540364935.db2.gz YBTGMZBDWSCXGM-UHFFFAOYSA-N 2 0 259.397 2.784 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCCC2)[C@H](C)C1 ZINC000151240960 540369223 /nfs/dbraw/zinc/36/92/23/540369223.db2.gz GZHWEXLGERCSOA-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000681366362 540374125 /nfs/dbraw/zinc/37/41/25/540374125.db2.gz QLSMMUBCSYIXGR-IAGOWNOFSA-N 2 0 293.499 2.594 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000294631803 199114871 /nfs/dbraw/zinc/11/48/71/199114871.db2.gz AMJDKDDDWZTQJP-VYDXJSESSA-N 2 0 276.424 2.664 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000222048286 540378575 /nfs/dbraw/zinc/37/85/75/540378575.db2.gz IDRJLLIHVGYMGY-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000147503978 540390430 /nfs/dbraw/zinc/39/04/30/540390430.db2.gz JQSWTCLMJWYDGA-PBHICJAKSA-N 2 0 258.409 2.735 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(OC)CCC2)C1 ZINC000429508769 283352373 /nfs/dbraw/zinc/35/23/73/283352373.db2.gz CUSDXZRDJDZOFJ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H](NCCC[NH+](C)C2CCCCC2)C[N@@H+]1C1CC1 ZINC000120779219 291146158 /nfs/dbraw/zinc/14/61/58/291146158.db2.gz LTEVLQIUQVBXMB-HOTGVXAUSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420294197 236603951 /nfs/dbraw/zinc/60/39/51/236603951.db2.gz AVZWUGMJWIKBKV-INMHGKMJSA-N 2 0 258.409 2.864 20 0 CFADRP COc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420322184 236617295 /nfs/dbraw/zinc/61/72/95/236617295.db2.gz SDRQUPYQUOWIHS-AWEZNQCLSA-N 2 0 274.408 2.659 20 0 CFADRP Fc1cccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347176 236622924 /nfs/dbraw/zinc/62/29/24/236622924.db2.gz XTLQXVFJANDEEC-IYBDPMFKSA-N 2 0 276.399 2.690 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)CCCCC1 ZINC000424336989 283408497 /nfs/dbraw/zinc/40/84/97/283408497.db2.gz KCMOFPWQIFSQNR-AVGNSLFASA-N 2 0 290.411 2.781 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)nc2C)C1 ZINC000678413416 540428806 /nfs/dbraw/zinc/42/88/06/540428806.db2.gz JCEDLIGMSQSDPO-ZFWWWQNUSA-N 2 0 261.413 2.691 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000252204294 540430799 /nfs/dbraw/zinc/43/07/99/540430799.db2.gz WWJZPOUVYMTWGQ-ZANUVAQNSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000093491510 540430847 /nfs/dbraw/zinc/43/08/47/540430847.db2.gz WEIKCKDDSXNPEU-SOUVJXGZSA-N 2 0 293.480 2.894 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCOC2CCCCCC2)CC1 ZINC000422751952 283426215 /nfs/dbraw/zinc/42/62/15/283426215.db2.gz BZSUUSIPDJGAMC-UHFFFAOYSA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)(C)c1ccc(OCC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422930849 540444264 /nfs/dbraw/zinc/44/42/64/540444264.db2.gz WGCYZLRKXWTUPH-HOTGVXAUSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000678593742 540462869 /nfs/dbraw/zinc/46/28/69/540462869.db2.gz NCNIXSDBFNJHQQ-JCGIZDLHSA-N 2 0 272.436 2.938 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000152376567 540469176 /nfs/dbraw/zinc/46/91/76/540469176.db2.gz OSIJLBMSSUFOGX-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000678606137 540471492 /nfs/dbraw/zinc/47/14/92/540471492.db2.gz HBIPJPOSHNHXCS-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000422731861 237145594 /nfs/dbraw/zinc/14/55/94/237145594.db2.gz MSPFUTZHQULNAU-HNNXBMFYSA-N 2 0 298.858 2.961 20 0 CFADRP Clc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422729995 237146242 /nfs/dbraw/zinc/14/62/42/237146242.db2.gz IYXRKXLTOZUNTN-YIONKMFJSA-N 2 0 264.800 2.755 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000422732869 237148018 /nfs/dbraw/zinc/14/80/18/237148018.db2.gz PQHJWBKVHDMRIF-UHFFFAOYSA-N 2 0 266.816 2.990 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422732613 237148872 /nfs/dbraw/zinc/14/88/72/237148872.db2.gz ACKAEZHNTJGAAU-ZZJWQFMZSA-N 2 0 299.462 2.524 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000422742415 237156118 /nfs/dbraw/zinc/15/61/18/237156118.db2.gz GHLVMWZGBKPHAV-LBPRGKRZSA-N 2 0 255.365 2.700 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422704690 237124169 /nfs/dbraw/zinc/12/41/69/237124169.db2.gz AMAAFVPDDISIGC-QZTJIDSGSA-N 2 0 290.451 2.885 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)c2ccccc21 ZINC000422703666 237125706 /nfs/dbraw/zinc/12/57/06/237125706.db2.gz NQXUNGRJURWDQR-ZACQAIPSSA-N 2 0 274.408 2.662 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000422709330 237129821 /nfs/dbraw/zinc/12/98/21/237129821.db2.gz YWSRZXWCZMXTTM-ZBFHGGJFSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc21 ZINC000422722744 237139335 /nfs/dbraw/zinc/13/93/35/237139335.db2.gz YVPLQPYEWQMSMM-OIISXLGYSA-N 2 0 287.451 2.545 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000422728574 237142338 /nfs/dbraw/zinc/14/23/38/237142338.db2.gz JJZZCPZKAYVGCH-LBPRGKRZSA-N 2 0 287.382 2.881 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422727427 237142972 /nfs/dbraw/zinc/14/29/72/237142972.db2.gz CIJHMEGFZPHRBM-GHMZBOCLSA-N 2 0 290.329 2.843 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251293758 540534983 /nfs/dbraw/zinc/53/49/83/540534983.db2.gz DFSFCPXXDDPUGN-DYEKYZERSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422766742 237181185 /nfs/dbraw/zinc/18/11/85/237181185.db2.gz RHPCPJKKGFVYSY-RCCFBDPRSA-N 2 0 287.451 2.511 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000422766613 237182653 /nfs/dbraw/zinc/18/26/53/237182653.db2.gz RZPUHPUYCQCPJO-HOCLYGCPSA-N 2 0 268.445 2.833 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422765742 237183548 /nfs/dbraw/zinc/18/35/48/237183548.db2.gz LBLVJYOVRUMCFW-LBPRGKRZSA-N 2 0 285.391 2.708 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000251540735 540538787 /nfs/dbraw/zinc/53/87/87/540538787.db2.gz ASMHSGWQEHCHAB-WOSRLPQWSA-N 2 0 262.397 2.815 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422772200 237190028 /nfs/dbraw/zinc/19/00/28/237190028.db2.gz RZEABGDHCOZGAT-GOSISDBHSA-N 2 0 299.418 2.592 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746215 237159085 /nfs/dbraw/zinc/15/90/85/237159085.db2.gz WEGKUODUEFUIQF-QWHCGFSZSA-N 2 0 295.496 2.961 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000422744105 237160600 /nfs/dbraw/zinc/16/06/00/237160600.db2.gz SHALONGNFKCARB-UOVPBQLFSA-N 2 0 287.451 2.552 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C)c1C ZINC000422748147 237163969 /nfs/dbraw/zinc/16/39/69/237163969.db2.gz SFBRBWXMTFTZFT-HUUCEWRRSA-N 2 0 264.413 2.708 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000422775146 237191426 /nfs/dbraw/zinc/19/14/26/237191426.db2.gz AIOTUOXQMFZREU-GXTWGEPZSA-N 2 0 293.842 2.506 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000422752289 237165651 /nfs/dbraw/zinc/16/56/51/237165651.db2.gz CMQIARDRDFMRJW-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422753057 237165965 /nfs/dbraw/zinc/16/59/65/237165965.db2.gz DHDOCJMLAMAMME-JLJPHGGASA-N 2 0 291.414 2.512 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2)c2ccccc21 ZINC000422751365 237166496 /nfs/dbraw/zinc/16/64/96/237166496.db2.gz CLOBMDHBUGVZJW-KFKAGJAMSA-N 2 0 296.414 2.572 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422754146 237169462 /nfs/dbraw/zinc/16/94/62/237169462.db2.gz AEUDCOQBVFDTND-CZUORRHYSA-N 2 0 276.399 2.964 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422756962 237171222 /nfs/dbraw/zinc/17/12/22/237171222.db2.gz CSFUQRDZNUJBDQ-HNNXBMFYSA-N 2 0 296.842 2.715 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422760982 237175259 /nfs/dbraw/zinc/17/52/59/237175259.db2.gz QSOJDVAQPVQVEC-BPUTZDHNSA-N 2 0 294.464 2.511 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000422775246 237191774 /nfs/dbraw/zinc/19/17/74/237191774.db2.gz AUWIMUZSWWBFFV-NJAFHUGGSA-N 2 0 289.467 2.575 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797273 237220522 /nfs/dbraw/zinc/22/05/22/237220522.db2.gz LTTCEIMDGRQNFK-JQWIXIFHSA-N 2 0 288.313 2.802 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000422797587 237221667 /nfs/dbraw/zinc/22/16/67/237221667.db2.gz NMXQJLGNXQMIEB-HAEOWDPNSA-N 2 0 280.456 2.687 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cccs1)C1CC1 ZINC000422799053 237221812 /nfs/dbraw/zinc/22/18/12/237221812.db2.gz UVYKHVCNIGTMHO-GXTWGEPZSA-N 2 0 268.426 2.543 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422796908 237222699 /nfs/dbraw/zinc/22/26/99/237222699.db2.gz ZJDXIDOWDAUZDC-PMPSAXMXSA-N 2 0 276.424 2.869 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000422799128 237222782 /nfs/dbraw/zinc/22/27/82/237222782.db2.gz VIJITECTWSOFOB-AAEUAGOBSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1F ZINC000422799630 237226156 /nfs/dbraw/zinc/22/61/56/237226156.db2.gz XSTUCLQAWIBXIN-OWYVNGRQSA-N 2 0 254.324 2.538 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1ccc(Cl)cc1 ZINC000422799818 237226220 /nfs/dbraw/zinc/22/62/20/237226220.db2.gz YPNXDAXVFZROQT-SWHYSGLUSA-N 2 0 268.788 2.577 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H](C)CCCC[NH3+])nc21 ZINC000422802220 237227220 /nfs/dbraw/zinc/22/72/20/237227220.db2.gz CZGUMLFFFCFDRS-ZDUSSCGKSA-N 2 0 275.396 2.786 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422778570 237193906 /nfs/dbraw/zinc/19/39/06/237193906.db2.gz ASOFIRATTFXNHO-IOASZLSFSA-N 2 0 280.387 2.700 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776320 237196018 /nfs/dbraw/zinc/19/60/18/237196018.db2.gz ABGUYTDPYPWERF-MISXGVKJSA-N 2 0 270.804 2.743 20 0 CFADRP Cc1cccc(O[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422788907 237212166 /nfs/dbraw/zinc/21/21/66/237212166.db2.gz NYLMCDYYOJAHLA-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000422791135 237212821 /nfs/dbraw/zinc/21/28/21/237212821.db2.gz PXQYKHZFHWKHEN-HOTGVXAUSA-N 2 0 262.397 2.705 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422790625 237213390 /nfs/dbraw/zinc/21/33/90/237213390.db2.gz XQLIJRFVYHDDKI-VBQJREDUSA-N 2 0 276.424 2.919 20 0 CFADRP CCC[N@H+](CCOCc1ccccc1)C1CC[NH2+]CC1 ZINC000309918710 540575865 /nfs/dbraw/zinc/57/58/65/540575865.db2.gz VDFOTCONCXRFTD-UHFFFAOYSA-N 2 0 276.424 2.667 20 0 CFADRP Cc1nc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cs1 ZINC000422819576 237249044 /nfs/dbraw/zinc/24/90/44/237249044.db2.gz NMDPOESYVPVVTL-BLLLJJGKSA-N 2 0 289.448 2.542 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770409 540577993 /nfs/dbraw/zinc/57/79/93/540577993.db2.gz ZAMIRNQZNLRGLL-NJAFHUGGSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1nc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cs1 ZINC000422820881 237250149 /nfs/dbraw/zinc/25/01/49/237250149.db2.gz STPIJFFTEXRMOZ-SNVBAGLBSA-N 2 0 290.436 2.507 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCC[C@@H]1O ZINC000422822430 237251594 /nfs/dbraw/zinc/25/15/94/237251594.db2.gz JZEVJNOSTGCXON-HSFUPAIVSA-N 2 0 294.483 2.828 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422829239 237256112 /nfs/dbraw/zinc/25/61/12/237256112.db2.gz PTBCTMJKHRSBDW-GJZGRUSLSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000422837587 237263353 /nfs/dbraw/zinc/26/33/53/237263353.db2.gz MHNNJCDYXKBNGK-HUUCEWRRSA-N 2 0 264.413 2.699 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000252658189 540566218 /nfs/dbraw/zinc/56/62/18/540566218.db2.gz WEIKCKDDSXNPEU-RRFJBIMHSA-N 2 0 293.480 2.894 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422805031 237231964 /nfs/dbraw/zinc/23/19/64/237231964.db2.gz LKYWOTBTRIJVAB-QZTJIDSGSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252825217 540568688 /nfs/dbraw/zinc/56/86/88/540568688.db2.gz FHKKXXISJCEVTN-RRFJBIMHSA-N 2 0 274.408 2.612 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422836153 237262400 /nfs/dbraw/zinc/26/24/00/237262400.db2.gz JJJXMXGCVJDJKP-BLLLJJGKSA-N 2 0 289.398 2.957 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422809720 237233791 /nfs/dbraw/zinc/23/37/91/237233791.db2.gz QHHYMJAGYZAJFS-HOTGVXAUSA-N 2 0 262.397 2.583 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccsc1 ZINC000422810121 237236095 /nfs/dbraw/zinc/23/60/95/237236095.db2.gz SSSDQLZMDSXWRI-RRFJBIMHSA-N 2 0 281.469 2.600 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422812685 237240966 /nfs/dbraw/zinc/24/09/66/237240966.db2.gz YFVFOZZGJQENIH-MSOLQXFVSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000422855794 237276393 /nfs/dbraw/zinc/27/63/93/237276393.db2.gz FFJNSZGBBCOONK-KJWYOANISA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F ZINC000669850388 540592832 /nfs/dbraw/zinc/59/28/32/540592832.db2.gz QZLBZINCXHTRFK-GHMZBOCLSA-N 2 0 264.335 2.791 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953736 540596484 /nfs/dbraw/zinc/59/64/84/540596484.db2.gz GOJXXAFZBPWTNQ-GOEBONIOSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N(C)c1ccccc1 ZINC000422871121 237293222 /nfs/dbraw/zinc/29/32/22/237293222.db2.gz ZVCTWUFOZUBNEQ-OIISXLGYSA-N 2 0 275.440 2.761 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876022 237295981 /nfs/dbraw/zinc/29/59/81/237295981.db2.gz FVDANMXPQXQMDL-BBWFWOEESA-N 3 0 283.504 2.852 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000666856514 540587806 /nfs/dbraw/zinc/58/78/06/540587806.db2.gz MONYVNWHLDDSMM-YOUVMVQBSA-N 2 0 266.335 2.710 20 0 CFADRP COCCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422849274 237272601 /nfs/dbraw/zinc/27/26/01/237272601.db2.gz BTBNSGDBXRGZDT-HUUCEWRRSA-N 2 0 294.439 2.626 20 0 CFADRP c1cn2c(C[NH2+][C@H]3CCC[NH2+]CC3)c(C3CC3)nc2s1 ZINC000666856423 540587959 /nfs/dbraw/zinc/58/79/59/540587959.db2.gz HQHIAOPZKQUPJH-LBPRGKRZSA-N 2 0 290.436 2.505 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@@H](C)CCC[NH3+])co2)cc1 ZINC000422881947 237303820 /nfs/dbraw/zinc/30/38/20/237303820.db2.gz RIGIVHQJPQCDCY-AWEZNQCLSA-N 2 0 287.407 2.910 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000422892140 237312801 /nfs/dbraw/zinc/31/28/01/237312801.db2.gz XNYFPEVZIGNUQK-GOEBONIOSA-N 2 0 264.413 2.708 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414799656 283463699 /nfs/dbraw/zinc/46/36/99/283463699.db2.gz KGWNAWNUDYKZTD-YJBOKZPZSA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422902503 237322169 /nfs/dbraw/zinc/32/21/69/237322169.db2.gz DLSQQJGCXINHMN-GOEBONIOSA-N 2 0 264.388 2.865 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422905620 237329320 /nfs/dbraw/zinc/32/93/20/237329320.db2.gz ZKJHHGSDVAVEES-ZNMIVQPWSA-N 2 0 264.413 2.786 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422880726 237301858 /nfs/dbraw/zinc/30/18/58/237301858.db2.gz MNJLAAGJSWRRNS-CVEARBPZSA-N 3 0 269.477 2.606 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Cl)c1 ZINC000422919953 237351413 /nfs/dbraw/zinc/35/14/13/237351413.db2.gz LEJCGNFSVFBFGQ-SQPSOYEMSA-N 2 0 294.826 2.980 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1 ZINC000422919777 237351551 /nfs/dbraw/zinc/35/15/51/237351551.db2.gz KQBUXZLUTPTCKR-VFSICIBPSA-N 2 0 294.826 2.900 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422922667 237354258 /nfs/dbraw/zinc/35/42/58/237354258.db2.gz QMWLEZMJSYQXBY-LUKYLMHMSA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2C[C@H]2Cc2ccccc2)CC1 ZINC000422926099 237356459 /nfs/dbraw/zinc/35/64/59/237356459.db2.gz WFGVIQUWMIXWMD-MYBQVCMBSA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422924725 237356624 /nfs/dbraw/zinc/35/66/24/237356624.db2.gz BBPYHQCBQZLUOH-NEPJUHHUSA-N 2 0 288.313 2.597 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000422926100 237357322 /nfs/dbraw/zinc/35/73/22/237357322.db2.gz WFGVIQUWMIXWMD-ODZFXCKXSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422927378 237359563 /nfs/dbraw/zinc/35/95/63/237359563.db2.gz GJNXPOFHFBWYJT-WDEREUQCSA-N 2 0 290.329 2.843 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000422936263 237362621 /nfs/dbraw/zinc/36/26/21/237362621.db2.gz LYCZTFNGDCISHX-IAQYHMDHSA-N 2 0 282.815 2.671 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422935154 237364129 /nfs/dbraw/zinc/36/41/29/237364129.db2.gz DCDVIEQGJZUZBB-UHFFFAOYSA-N 2 0 276.424 2.789 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422940070 237371128 /nfs/dbraw/zinc/37/11/28/237371128.db2.gz IMUQXSCHELEJSB-CQSZACIVSA-N 2 0 299.418 2.887 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC=CCC1 ZINC000422973270 237401837 /nfs/dbraw/zinc/40/18/37/237401837.db2.gz OAGXTCGAPXHKPO-UAGQMJEPSA-N 2 0 258.409 2.891 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422947484 237378242 /nfs/dbraw/zinc/37/82/42/237378242.db2.gz QGLOYCNBGKXYCW-DOTOQJQBSA-N 2 0 276.424 2.660 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc21 ZINC000422946687 237378413 /nfs/dbraw/zinc/37/84/13/237378413.db2.gz XDIKUMLCGYIAGU-SJORKVTESA-N 2 0 286.350 2.939 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000422949089 237379026 /nfs/dbraw/zinc/37/90/26/237379026.db2.gz SRXVLVHYMCLCGY-DOTOQJQBSA-N 2 0 284.403 2.936 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000422967172 237396386 /nfs/dbraw/zinc/39/63/86/237396386.db2.gz BMFBEAXRKYBRFQ-TZMCWYRMSA-N 2 0 259.397 2.856 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C2CCC([NH3+])CC2)C2CC2)c1 ZINC000423018163 237446635 /nfs/dbraw/zinc/44/66/35/237446635.db2.gz YEUFYAAMBLWMPK-HTWSVDAQSA-N 2 0 288.435 2.876 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000297505295 200213649 /nfs/dbraw/zinc/21/36/49/200213649.db2.gz LUIWKCLHXFJOLC-HOTGVXAUSA-N 2 0 285.391 2.772 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000257726533 540662331 /nfs/dbraw/zinc/66/23/31/540662331.db2.gz WMGFUAAARSCILG-CQSZACIVSA-N 2 0 250.411 2.632 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000257714993 540662395 /nfs/dbraw/zinc/66/23/95/540662395.db2.gz UPNBZZJKHLOCBB-CQSZACIVSA-N 2 0 250.411 2.632 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423059933 237492018 /nfs/dbraw/zinc/49/20/18/237492018.db2.gz NFIOHIMRVBGVPT-RISCZKNCSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000423492204 283484903 /nfs/dbraw/zinc/48/49/03/283484903.db2.gz MBOYAXIIEBLQKT-RULNRJAQSA-N 2 0 266.335 2.669 20 0 CFADRP CCCC[C@@H](COC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297644963 200250846 /nfs/dbraw/zinc/25/08/46/200250846.db2.gz XQBZMWSIOYNGJH-AWEZNQCLSA-N 2 0 261.369 2.629 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000380490681 540688597 /nfs/dbraw/zinc/68/85/97/540688597.db2.gz WHEUXHIUSJDKLH-BBRMVZONSA-N 2 0 294.826 2.780 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670154025 540689585 /nfs/dbraw/zinc/68/95/85/540689585.db2.gz NDERRLPGZKGGPO-ORQFMDKSSA-N 2 0 258.409 2.862 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000435877747 240362602 /nfs/dbraw/zinc/36/26/02/240362602.db2.gz UTBJYUDUJHZGNS-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP COC[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000177465595 189053388 /nfs/dbraw/zinc/05/33/88/189053388.db2.gz LTMPJEIWBYGJQJ-CABCVRRESA-N 2 0 264.413 2.522 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000177733665 189066026 /nfs/dbraw/zinc/06/60/26/189066026.db2.gz SZIZUTOHXSMVFE-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000356419975 283552781 /nfs/dbraw/zinc/55/27/81/283552781.db2.gz NVCUBYVRKIJEBI-HZPDHXFCSA-N 2 0 297.487 2.534 20 0 CFADRP COC[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177980244 189083309 /nfs/dbraw/zinc/08/33/09/189083309.db2.gz PHJGXENASWRQKO-CQSZACIVSA-N 2 0 264.413 2.651 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000683345680 540752617 /nfs/dbraw/zinc/75/26/17/540752617.db2.gz IQGLKESLBQZSFN-CABCVRRESA-N 2 0 296.480 2.770 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000235743041 540749419 /nfs/dbraw/zinc/74/94/19/540749419.db2.gz ANUGLXUUZIPIEO-GJZGRUSLSA-N 2 0 258.409 2.823 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000178457851 189118070 /nfs/dbraw/zinc/11/80/70/189118070.db2.gz BJBCQNGHXMWKIR-SRABZTEZSA-N 2 0 276.424 2.692 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccsc1 ZINC000178378900 189111749 /nfs/dbraw/zinc/11/17/49/189111749.db2.gz ZVPRNNUHOQFAII-JSGCOSHPSA-N 2 0 270.442 2.756 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054241406 540781534 /nfs/dbraw/zinc/78/15/34/540781534.db2.gz NRRNYQAIVZLGQW-OLZOCXBDSA-N 2 0 252.427 2.611 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178669796 189136041 /nfs/dbraw/zinc/13/60/41/189136041.db2.gz RXKFVFGJBGPKBD-CABCVRRESA-N 2 0 294.439 2.560 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422842919 296020873 /nfs/dbraw/zinc/02/08/73/296020873.db2.gz ZOLZCVMDLQHMMV-MNOVXSKESA-N 2 0 263.360 2.565 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc2cnccc21)C[NH+](C)C ZINC000381819541 540803171 /nfs/dbraw/zinc/80/31/71/540803171.db2.gz HNCHVPLZGBGDNL-ZDUSSCGKSA-N 2 0 257.381 2.522 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000435881177 240364394 /nfs/dbraw/zinc/36/43/94/240364394.db2.gz SWNPCJZTUUMSKB-IUODEOHRSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089799 296021196 /nfs/dbraw/zinc/02/11/96/296021196.db2.gz WATAFIRUAIGOIW-JRPNMDOOSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178975561 189158934 /nfs/dbraw/zinc/15/89/34/189158934.db2.gz PGKVUFXLSXKPKA-WMLDXEAASA-N 2 0 258.409 2.864 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000414751695 540828393 /nfs/dbraw/zinc/82/83/93/540828393.db2.gz AXNSAULQXFHWJU-CYBMUJFWSA-N 2 0 250.361 2.744 20 0 CFADRP CCOc1ccc(C[N@H+](CCC[NH3+])C(C)C)cc1 ZINC000414742570 540828489 /nfs/dbraw/zinc/82/84/89/540828489.db2.gz IDMKZXNXDJHRBW-UHFFFAOYSA-N 2 0 250.386 2.645 20 0 CFADRP CSCc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423104972 238201832 /nfs/dbraw/zinc/20/18/32/238201832.db2.gz HVCWTXZMWXSXCB-VXGBXAGGSA-N 2 0 252.427 2.765 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000414344311 540823138 /nfs/dbraw/zinc/82/31/38/540823138.db2.gz NWMFFNPLJSZGOQ-FGTMMUONSA-N 2 0 287.451 2.506 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@H]1CCc2ccccc2C1 ZINC000435880398 240364697 /nfs/dbraw/zinc/36/46/97/240364697.db2.gz ITJVMAWJAKXIMB-KRWDZBQOSA-N 2 0 260.425 2.865 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)c2ccccc21 ZINC000423097578 238200522 /nfs/dbraw/zinc/20/05/22/238200522.db2.gz JLQZPTDTBWGEAL-BMGDILEWSA-N 2 0 288.435 2.910 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178955789 189157360 /nfs/dbraw/zinc/15/73/60/189157360.db2.gz LBIXCUOTIDJEOR-QGZVFWFLSA-N 2 0 274.408 2.832 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000435870520 240364806 /nfs/dbraw/zinc/36/48/06/240364806.db2.gz NYDHLYNAAJAYDD-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423121970 238213446 /nfs/dbraw/zinc/21/34/46/238213446.db2.gz BPNTWJCRCJPIRT-NBMRYCAZSA-N 2 0 288.435 2.522 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000414932571 540832048 /nfs/dbraw/zinc/83/20/48/540832048.db2.gz VVYJDBITTAREKF-NWDGAFQWSA-N 2 0 256.752 2.839 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCSC(C)C ZINC000423102505 238202534 /nfs/dbraw/zinc/20/25/34/238202534.db2.gz FJYGRHUNJLSBFD-NSHDSACASA-N 2 0 267.442 2.641 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+]C3CCC([NH3+])CC3)C2)cc1F ZINC000423105144 238203053 /nfs/dbraw/zinc/20/30/53/238203053.db2.gz BWDPVJMHHYZVJN-NWMRNGAKSA-N 2 0 292.398 2.940 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)c2ccccc21 ZINC000423129528 238220580 /nfs/dbraw/zinc/22/05/80/238220580.db2.gz FDYYZQPOPAYAIF-BMGDILEWSA-N 2 0 288.435 2.910 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000423108795 238203740 /nfs/dbraw/zinc/20/37/40/238203740.db2.gz MQRMUQNYRATNCE-VIFPVBQESA-N 2 0 287.329 2.842 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423112738 238205517 /nfs/dbraw/zinc/20/55/17/238205517.db2.gz KFDZCUAIOFHAGU-HOCLYGCPSA-N 2 0 275.371 2.709 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110083 238205946 /nfs/dbraw/zinc/20/59/46/238205946.db2.gz UKMUNDIFLPXAMG-CJNGLKHVSA-N 2 0 291.414 2.643 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000423118278 238210324 /nfs/dbraw/zinc/21/03/24/238210324.db2.gz ZUFYEMNYQRNNFT-IINYFYTJSA-N 2 0 266.360 2.539 20 0 CFADRP C[C@H]1CC(CC[NH2+]C2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000423117385 238210856 /nfs/dbraw/zinc/21/08/56/238210856.db2.gz VFCVINYMTCEWDH-ILGZHXLLSA-N 2 0 268.445 2.687 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000684370505 540837812 /nfs/dbraw/zinc/83/78/12/540837812.db2.gz WMCPOBBEZUISQU-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423144438 238230639 /nfs/dbraw/zinc/23/06/39/238230639.db2.gz GWRAFMNJLFWEKE-KCTSRDHCSA-N 2 0 292.398 2.545 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)CCCC[NH3+] ZINC000423144098 238231484 /nfs/dbraw/zinc/23/14/84/238231484.db2.gz YLLLGNBUJJPMLK-CQSZACIVSA-N 2 0 263.429 2.775 20 0 CFADRP C[NH2+]CCCN(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000435883778 240367094 /nfs/dbraw/zinc/36/70/94/240367094.db2.gz BCPZLJFFGZYXQG-UHFFFAOYSA-N 2 0 286.423 2.530 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)C ZINC000670267089 540847710 /nfs/dbraw/zinc/84/77/10/540847710.db2.gz PJSIZKIOOPTNOI-HNNXBMFYSA-N 2 0 283.504 2.532 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423158869 238240896 /nfs/dbraw/zinc/24/08/96/238240896.db2.gz XGKSCBZHMYHXGA-JKSUJKDBSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CC[NH2+]CC1 ZINC000423181261 238257773 /nfs/dbraw/zinc/25/77/73/238257773.db2.gz JLUPGTJVUDJICC-LLVKDONJSA-N 2 0 268.351 2.628 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)CCC[NH3+])C2)c1 ZINC000423163419 238246617 /nfs/dbraw/zinc/24/66/17/238246617.db2.gz RDIYDWOYMQKPHG-QEJZJMRPSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423199057 238272962 /nfs/dbraw/zinc/27/29/62/238272962.db2.gz ANHILNOZWFQYKA-HNNXBMFYSA-N 2 0 299.418 2.502 20 0 CFADRP c1ccc([C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000423208258 238278757 /nfs/dbraw/zinc/27/87/57/238278757.db2.gz HQPXRIDINAWUBZ-DJIMGWMZSA-N 2 0 258.409 2.912 20 0 CFADRP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423192290 238266861 /nfs/dbraw/zinc/26/68/61/238266861.db2.gz UKMQMXNXEHNINV-KJWHEZOQSA-N 2 0 254.393 2.777 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423226201 238289712 /nfs/dbraw/zinc/28/97/12/238289712.db2.gz PTAQKJSXEIRCJO-JRPNMDOOSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423214634 238282919 /nfs/dbraw/zinc/28/29/19/238282919.db2.gz LNSLQQFXXQSADO-IHRRRGAJSA-N 2 0 293.430 2.930 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423220591 238284077 /nfs/dbraw/zinc/28/40/77/238284077.db2.gz YIXXFPTXZOIKKW-LTCOOKNTSA-N 2 0 288.435 2.776 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218090 238284086 /nfs/dbraw/zinc/28/40/86/238284086.db2.gz UUKQUSYMIWLWGR-AEFFLSMTSA-N 2 0 272.436 2.905 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423220590 238285554 /nfs/dbraw/zinc/28/55/54/238285554.db2.gz YIXXFPTXZOIKKW-LBTBCDHLSA-N 2 0 288.435 2.776 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000423241172 238302931 /nfs/dbraw/zinc/30/29/31/238302931.db2.gz UQULQPIUASXDRO-UMVBOHGHSA-N 2 0 292.423 2.537 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423250697 238308547 /nfs/dbraw/zinc/30/85/47/238308547.db2.gz QVYXCGYQLNXJEY-QWRGUYRKSA-N 2 0 254.324 2.615 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263637 238321163 /nfs/dbraw/zinc/32/11/63/238321163.db2.gz BFUAPGGVRUOQIZ-BASLNEPJSA-N 2 0 276.424 2.760 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423282405 238341839 /nfs/dbraw/zinc/34/18/39/238341839.db2.gz VYWXJZRUIZFDHL-SJORKVTESA-N 2 0 276.424 2.589 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423275620 238333618 /nfs/dbraw/zinc/33/36/18/238333618.db2.gz LZRLIKMWDWMHRV-ORQFMDKSSA-N 2 0 276.424 2.870 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423287048 238345573 /nfs/dbraw/zinc/34/55/73/238345573.db2.gz JYSNHLCOBXAZAR-KCPJHIHWSA-N 2 0 262.397 2.514 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c(C)c1 ZINC000666084842 540929860 /nfs/dbraw/zinc/92/98/60/540929860.db2.gz NFXDOMHNIFZRBD-KGLIPLIRSA-N 2 0 262.397 2.748 20 0 CFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H](C)C[NH3+])CC2 ZINC000423310185 238363789 /nfs/dbraw/zinc/36/37/89/238363789.db2.gz RHDSQLWXBDDRPB-TVQRCGJNSA-N 2 0 297.240 2.929 20 0 CFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@H](C)C[NH3+])CC2 ZINC000423310184 238364427 /nfs/dbraw/zinc/36/44/27/238364427.db2.gz RHDSQLWXBDDRPB-RNCFNFMXSA-N 2 0 297.240 2.929 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314407 238366722 /nfs/dbraw/zinc/36/67/22/238366722.db2.gz HBLZLPNGCVPOPO-AHBIMHKDSA-N 2 0 274.408 2.514 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cccnc2)cc1 ZINC000423294324 238350714 /nfs/dbraw/zinc/35/07/14/238350714.db2.gz UBMRJOLPRYYXGR-CHWSQXEVSA-N 2 0 255.365 2.952 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423292473 238350951 /nfs/dbraw/zinc/35/09/51/238350951.db2.gz NDRARJUKWVWUCG-STQMWFEESA-N 2 0 250.386 2.611 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000423293738 238351002 /nfs/dbraw/zinc/35/10/02/238351002.db2.gz RZNIXEBRDUKETP-LRDDRELGSA-N 2 0 284.407 2.681 20 0 CFADRP CCn1cc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000423290472 238351030 /nfs/dbraw/zinc/35/10/30/238351030.db2.gz DCDHDIHJPNOHPC-OLZOCXBDSA-N 2 0 272.396 2.774 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000423296946 238354955 /nfs/dbraw/zinc/35/49/55/238354955.db2.gz IBIFZZYYQHAUII-GRYCIOLGSA-N 2 0 277.437 2.973 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423305207 238361493 /nfs/dbraw/zinc/36/14/93/238361493.db2.gz KLIVRYLQXFSEOA-FVQBIDKESA-N 2 0 276.424 2.555 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000423304193 238361891 /nfs/dbraw/zinc/36/18/91/238361891.db2.gz NMFGRKGGMYLLBB-QWRGUYRKSA-N 2 0 275.421 2.597 20 0 CFADRP CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180105667 189237260 /nfs/dbraw/zinc/23/72/60/189237260.db2.gz GSLYBCKAHPHNOO-OOKSDGMUSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180240253 189245536 /nfs/dbraw/zinc/24/55/36/189245536.db2.gz OCHKWPVCMZWHMO-RHSMWYFYSA-N 2 0 298.434 2.659 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180240271 189245647 /nfs/dbraw/zinc/24/56/47/189245647.db2.gz OCHKWPVCMZWHMO-WMLDXEAASA-N 2 0 298.434 2.659 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331809 238382442 /nfs/dbraw/zinc/38/24/42/238382442.db2.gz CYYUCACOVICANJ-KGLIPLIRSA-N 2 0 274.408 2.697 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423336783 238387997 /nfs/dbraw/zinc/38/79/97/238387997.db2.gz YERRCMBOTKNRHA-YGRLFVJLSA-N 2 0 286.341 2.963 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261757092 540982603 /nfs/dbraw/zinc/98/26/03/540982603.db2.gz CRAKEMZJOSLVLH-BETUJISGSA-N 2 0 284.325 2.665 20 0 CFADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423341392 238391220 /nfs/dbraw/zinc/39/12/20/238391220.db2.gz CLVFFWXTTWUSHR-QZTJIDSGSA-N 2 0 270.420 2.907 20 0 CFADRP c1ccc(C[C@H]2CC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423341390 238391730 /nfs/dbraw/zinc/39/17/30/238391730.db2.gz CLVFFWXTTWUSHR-MSOLQXFVSA-N 2 0 270.420 2.907 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348620 238394735 /nfs/dbraw/zinc/39/47/35/238394735.db2.gz UNCCHZBQYMMQCS-NSHDSACASA-N 2 0 280.799 2.919 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000423404757 238441742 /nfs/dbraw/zinc/44/17/42/238441742.db2.gz XRNCCAQFVZNEMP-IJEWVQPXSA-N 2 0 276.449 2.877 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423342552 299321926 /nfs/dbraw/zinc/32/19/26/299321926.db2.gz NFTLLZDJXCJQNA-WMLDXEAASA-N 2 0 275.440 2.793 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447896 238461822 /nfs/dbraw/zinc/46/18/22/238461822.db2.gz UOVKHDRPDQCZMV-GVDBMIGSSA-N 2 0 286.419 2.747 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000423460219 238468588 /nfs/dbraw/zinc/46/85/88/238468588.db2.gz MBLROZQPZWJFEE-MJBXVCDLSA-N 2 0 292.423 2.872 20 0 CFADRP CCC1(CC)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311504477 541028824 /nfs/dbraw/zinc/02/88/24/541028824.db2.gz XSQFPLGXDJWDQC-OAHLLOKOSA-N 2 0 270.461 2.590 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423495453 238495112 /nfs/dbraw/zinc/49/51/12/238495112.db2.gz FLMJYKQROPUJCH-DRBLLZIRSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C1CCOCC1 ZINC000423498609 238496414 /nfs/dbraw/zinc/49/64/14/238496414.db2.gz IINWGGUOVOITSN-WMLDXEAASA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423490903 238490810 /nfs/dbraw/zinc/49/08/10/238490810.db2.gz ITUBKIQLKBGTHG-XFBWCDHKSA-N 2 0 262.372 2.994 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000423537942 238520761 /nfs/dbraw/zinc/52/07/61/238520761.db2.gz FAFPZZXELNLALR-HCXYKTFWSA-N 2 0 284.447 2.985 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1F ZINC000423574304 238533016 /nfs/dbraw/zinc/53/30/16/238533016.db2.gz ZQHQMIILHCFLFV-GFCCVEGCSA-N 2 0 278.371 2.795 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746760 541064775 /nfs/dbraw/zinc/06/47/75/541064775.db2.gz GGZQUBYEGHQWBI-VXGBXAGGSA-N 2 0 289.379 2.526 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)OCC1CC1)C1CC[NH+](C)CC1 ZINC000666214299 541072043 /nfs/dbraw/zinc/07/20/43/541072043.db2.gz KVNMDQNQHDWKKD-CYBMUJFWSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414759250 291271510 /nfs/dbraw/zinc/27/15/10/291271510.db2.gz DVTNEDPUPQKKPS-KXNHARMFSA-N 2 0 264.335 2.647 20 0 CFADRP COCC[N@H+](C)CCCN[C@H](C)c1cccc(F)c1F ZINC000183222414 189350993 /nfs/dbraw/zinc/35/09/93/189350993.db2.gz GZQHDFZHXRDMIG-GFCCVEGCSA-N 2 0 286.366 2.584 20 0 CFADRP COCCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184750870 189395025 /nfs/dbraw/zinc/39/50/25/189395025.db2.gz KFYDKWHUHFZRCA-HOTGVXAUSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCc3sccc3C2)CC[NH2+]1 ZINC000666639319 541125656 /nfs/dbraw/zinc/12/56/56/541125656.db2.gz UXDCOWAQOUFIMH-CHWSQXEVSA-N 2 0 264.438 2.884 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CC[NH2+]1 ZINC000666689018 541132445 /nfs/dbraw/zinc/13/24/45/541132445.db2.gz KFGGEXVOYTZYDY-CPUCHLNUSA-N 2 0 274.408 2.917 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000425365873 239029264 /nfs/dbraw/zinc/02/92/64/239029264.db2.gz YUMKBAFZHJHAAK-GJZGRUSLSA-N 2 0 282.428 2.871 20 0 CFADRP CC(C)C[C@H](C[NH3+])NCc1ccc2cnccc2c1 ZINC000666799232 541144973 /nfs/dbraw/zinc/14/49/73/541144973.db2.gz JLZVLVMEHFKRNW-MRXNPFEDSA-N 2 0 257.381 2.698 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000666857687 541152548 /nfs/dbraw/zinc/15/25/48/541152548.db2.gz FEFSSTGAJPOFPT-ZDUSSCGKSA-N 2 0 252.789 2.880 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857604 541152590 /nfs/dbraw/zinc/15/25/90/541152590.db2.gz AKSTWWKMSMSKOW-DZGCQCFKSA-N 2 0 264.388 2.879 20 0 CFADRP FC(F)COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666855551 541152630 /nfs/dbraw/zinc/15/26/30/541152630.db2.gz ZODLATMZFCEXQO-CYBMUJFWSA-N 2 0 284.350 2.562 20 0 CFADRP CC1(C)CCC[NH2+][C@H]1CNCc1cccc(-n2cccn2)c1 ZINC000666869531 541154906 /nfs/dbraw/zinc/15/49/06/541154906.db2.gz VHSPWIANGUCGPM-KRWDZBQOSA-N 2 0 298.434 2.740 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952333 541165856 /nfs/dbraw/zinc/16/58/56/541165856.db2.gz RUXDMMZDKZWTPD-BGTMTDRBSA-N 2 0 260.356 2.571 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000666954318 541166235 /nfs/dbraw/zinc/16/62/35/541166235.db2.gz UNXBZTDFZLXUML-OYADATRGSA-N 2 0 278.346 2.710 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)ccc2n1 ZINC000666953953 541166385 /nfs/dbraw/zinc/16/63/85/541166385.db2.gz LRZZVHHDGQQUSA-QGZVFWFLSA-N 2 0 281.403 2.775 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953907 541166521 /nfs/dbraw/zinc/16/65/21/541166521.db2.gz KRBLDZHDDINVHA-SUMWQHHRSA-N 2 0 298.434 2.616 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954324 541166585 /nfs/dbraw/zinc/16/65/85/541166585.db2.gz UQXUKXWSNZOAHA-HZSPNIEDSA-N 2 0 250.430 2.933 20 0 CFADRP Fc1ccc(/C=C/C[NH2+][C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000666954319 541166620 /nfs/dbraw/zinc/16/66/20/541166620.db2.gz UNXBZTDFZLXUML-YLSAJCSVSA-N 2 0 278.346 2.710 20 0 CFADRP CCCc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666953623 541166630 /nfs/dbraw/zinc/16/66/30/541166630.db2.gz CHZFLCKWZCRFOE-INIZCTEOSA-N 2 0 258.409 2.871 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)C2 ZINC000666954182 541166665 /nfs/dbraw/zinc/16/66/65/541166665.db2.gz RGCBGYJLEAFBIJ-CABCVRRESA-N 2 0 276.811 2.539 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998321 541169439 /nfs/dbraw/zinc/16/94/39/541169439.db2.gz NPJVRIDSCSOTSY-GFCCVEGCSA-N 2 0 250.411 2.821 20 0 CFADRP CCOc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000666993833 541170652 /nfs/dbraw/zinc/17/06/52/541170652.db2.gz NFCQMNOGKQJDGK-CQSZACIVSA-N 2 0 292.398 2.989 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666999431 541173146 /nfs/dbraw/zinc/17/31/46/541173146.db2.gz HKEVZPXONFETPH-OAHLLOKOSA-N 2 0 274.408 2.850 20 0 CFADRP CC[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000135258599 541241603 /nfs/dbraw/zinc/24/16/03/541241603.db2.gz ZQTJLQMVSSHJTG-BBRMVZONSA-N 2 0 280.387 2.654 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427122488 239285744 /nfs/dbraw/zinc/28/57/44/239285744.db2.gz REYMMVBVRPOHBO-FUHWJXTLSA-N 2 0 288.435 2.920 20 0 CFADRP CC(C)[C@@H](C)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667499950 541245140 /nfs/dbraw/zinc/24/51/40/541245140.db2.gz YYXQQBOGIMNYBX-CYBMUJFWSA-N 2 0 258.369 2.744 20 0 CFADRP COCc1csc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000667501608 541246224 /nfs/dbraw/zinc/24/62/24/541246224.db2.gz CNZXLFBUAFLMJO-UHFFFAOYSA-N 2 0 282.453 2.668 20 0 CFADRP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000667533076 541250473 /nfs/dbraw/zinc/25/04/73/541250473.db2.gz FCNYTNWLWGNTIO-CQSZACIVSA-N 2 0 299.422 2.790 20 0 CFADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667651337 541278772 /nfs/dbraw/zinc/27/87/72/541278772.db2.gz SIYJKKXEELRTKO-ZIAGYGMSSA-N 2 0 270.380 2.888 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667786465 541314034 /nfs/dbraw/zinc/31/40/34/541314034.db2.gz RBDOTHNLSYAMIY-OIISXLGYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CC(Oc2ccccc2)C1 ZINC000667823516 541323304 /nfs/dbraw/zinc/32/33/04/541323304.db2.gz TVLAMBKGDWJMII-VQCLRJIVSA-N 2 0 262.397 2.526 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667853607 541328376 /nfs/dbraw/zinc/32/83/76/541328376.db2.gz IJVOYMSIUIUQSV-FZKCQIBNSA-N 2 0 250.430 2.885 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667928141 541345360 /nfs/dbraw/zinc/34/53/60/541345360.db2.gz QEHLXIJIZUIZKO-CWRNSKLLSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(CO)[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccccc1 ZINC000668073815 541379062 /nfs/dbraw/zinc/37/90/62/541379062.db2.gz IHYTWJWWULXJRW-QGZVFWFLSA-N 2 0 299.418 2.679 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(F)c(F)c1F ZINC000668172466 541393194 /nfs/dbraw/zinc/39/31/94/541393194.db2.gz OJRPPEOBMRQWIY-ZWNOBZJWSA-N 2 0 286.341 2.876 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)[C@H](C)C1 ZINC000433124421 240105608 /nfs/dbraw/zinc/10/56/08/240105608.db2.gz CEFIJGUSLZKQCB-ZBFHGGJFSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000435378926 240306837 /nfs/dbraw/zinc/30/68/37/240306837.db2.gz HAYKMOQINTUPCQ-INIZCTEOSA-N 2 0 274.408 2.586 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000435374446 240307836 /nfs/dbraw/zinc/30/78/36/240307836.db2.gz XJBHQPVETLRYMD-CHWSQXEVSA-N 2 0 288.395 2.537 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435731146 240343479 /nfs/dbraw/zinc/34/34/79/240343479.db2.gz IMVPWJOGSTYCEV-DLKVLKDVSA-N 2 0 262.372 2.611 20 0 CFADRP C[N@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435446058 240314496 /nfs/dbraw/zinc/31/44/96/240314496.db2.gz JAUUNSLUZKNAAU-ZDUSSCGKSA-N 2 0 284.350 2.862 20 0 CFADRP CCOc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435447072 240315168 /nfs/dbraw/zinc/31/51/68/240315168.db2.gz NLMSTVKJJKEUMP-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000443068478 241036721 /nfs/dbraw/zinc/03/67/21/241036721.db2.gz IHIVFWYJGUZILM-GFCCVEGCSA-N 2 0 291.420 2.964 20 0 CFADRP C[C@@H](CCC1CCCC1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442876516 241012075 /nfs/dbraw/zinc/01/20/75/241012075.db2.gz RLPASXREWIDTFU-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP CCCC(CCC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442889989 241014788 /nfs/dbraw/zinc/01/47/88/241014788.db2.gz MNJRYHZNAKXYBV-UHFFFAOYSA-N 2 0 269.477 2.571 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCNc1ccnc2ccncc21 ZINC000444071552 241113065 /nfs/dbraw/zinc/11/30/65/241113065.db2.gz GCHRZUCCIMZEIS-CQSZACIVSA-N 2 0 284.407 2.728 20 0 CFADRP Cc1cccc(CN(C)CCC[NH+]2CCCCC2)n1 ZINC000444571937 241149886 /nfs/dbraw/zinc/14/98/86/241149886.db2.gz KXKZALFAIPIRFX-UHFFFAOYSA-N 2 0 261.413 2.698 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000444610563 241153817 /nfs/dbraw/zinc/15/38/17/241153817.db2.gz PTCSTHPKLFVMOR-IAGOWNOFSA-N 2 0 280.456 2.611 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000673756751 541512538 /nfs/dbraw/zinc/51/25/38/541512538.db2.gz JINSZKFMWSRAKW-WBVHZDCISA-N 2 0 291.439 2.575 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)C1CCC1 ZINC000449225466 241776907 /nfs/dbraw/zinc/77/69/07/241776907.db2.gz TYXVMFWSHDTDOT-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](CNCC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000449554089 242024850 /nfs/dbraw/zinc/02/48/50/242024850.db2.gz AFJLRCXGNDGHJM-INIZCTEOSA-N 2 0 291.483 2.684 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000674908536 541605909 /nfs/dbraw/zinc/60/59/09/541605909.db2.gz OWLNHJCYJZGCHA-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CCOCC[N@@H+]1CCN(c2cc[nH+]c(CC)c2)C[C@H]1CC ZINC000450311071 242350474 /nfs/dbraw/zinc/35/04/74/242350474.db2.gz GNUIAKQNWJVJQI-MRXNPFEDSA-N 2 0 291.439 2.581 20 0 CFADRP CCc1cc(N2CC[C@@H](Oc3ccncc3)C2)cc[nH+]1 ZINC000450376233 242384034 /nfs/dbraw/zinc/38/40/34/242384034.db2.gz GAVRXOIRMFACSF-MRXNPFEDSA-N 2 0 269.348 2.697 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1OCCc2sccc21 ZINC000423132491 296113966 /nfs/dbraw/zinc/11/39/66/296113966.db2.gz PHNOMWDJSMNACM-OCLKLICZSA-N 2 0 294.464 2.858 20 0 CFADRP C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000334873404 296114537 /nfs/dbraw/zinc/11/45/37/296114537.db2.gz JAEWNUSHLKFPDM-HUUCEWRRSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000178242416 296114905 /nfs/dbraw/zinc/11/49/05/296114905.db2.gz FVMVPOUBMCOCAB-OAHLLOKOSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400627877 296118591 /nfs/dbraw/zinc/11/85/91/296118591.db2.gz LAOLMCLZHLXKHG-SJORKVTESA-N 2 0 293.499 2.905 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000422807916 296120417 /nfs/dbraw/zinc/12/04/17/296120417.db2.gz KJYAWFRLWJXZRM-CQSZACIVSA-N 2 0 258.409 2.696 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675642451 541675641 /nfs/dbraw/zinc/67/56/41/541675641.db2.gz NJHWBWYGOPKQSK-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742814 541687360 /nfs/dbraw/zinc/68/73/60/541687360.db2.gz WQBGLKIFYKIEPH-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000675747670 541687382 /nfs/dbraw/zinc/68/73/82/541687382.db2.gz FERYPMNZFZSULV-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCn3ccnc32)C1 ZINC000453055078 243377884 /nfs/dbraw/zinc/37/78/84/243377884.db2.gz DBRSNWABIQHTFQ-OWCLPIDISA-N 2 0 290.455 2.676 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000453065389 243384654 /nfs/dbraw/zinc/38/46/54/243384654.db2.gz UUHSPVIOZYLAGD-UKRRQHHQSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccncn1 ZINC000453069933 243387856 /nfs/dbraw/zinc/38/78/56/243387856.db2.gz ZLDMVTQUNHHVQI-HNNXBMFYSA-N 2 0 276.428 2.639 20 0 CFADRP CCC[NH+]1CCC(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000675831569 541698792 /nfs/dbraw/zinc/69/87/92/541698792.db2.gz KWNDFOAZWMDISA-HOTGVXAUSA-N 2 0 281.488 2.713 20 0 CFADRP CCC[NH+]1CCC(NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000675831570 541699341 /nfs/dbraw/zinc/69/93/41/541699341.db2.gz KWNDFOAZWMDISA-HZPDHXFCSA-N 2 0 281.488 2.713 20 0 CFADRP CSC1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[NH+](C)CC1 ZINC000453262970 243484743 /nfs/dbraw/zinc/48/47/43/243484743.db2.gz YBPDOIASTRJQSE-OAHLLOKOSA-N 2 0 282.497 2.982 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)c2ccncc2)CC1 ZINC000675927488 541710167 /nfs/dbraw/zinc/71/01/67/541710167.db2.gz HBUWVAARGVMEPI-CQSZACIVSA-N 2 0 261.413 2.648 20 0 CFADRP Cc1ccc(CC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000676222562 541735330 /nfs/dbraw/zinc/73/53/30/541735330.db2.gz PYFKAGAKLJRWQQ-ZWKOTPCHSA-N 2 0 272.436 2.954 20 0 CFADRP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456262601 244118415 /nfs/dbraw/zinc/11/84/15/244118415.db2.gz GKLKCIIZDUBEOW-MRXNPFEDSA-N 2 0 289.423 2.516 20 0 CFADRP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456262597 244118616 /nfs/dbraw/zinc/11/86/16/244118616.db2.gz GKLKCIIZDUBEOW-INIZCTEOSA-N 2 0 289.423 2.516 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456257904 244118730 /nfs/dbraw/zinc/11/87/30/244118730.db2.gz DFVWZWYVRGSUBE-INIZCTEOSA-N 2 0 289.423 2.516 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422941456 299401179 /nfs/dbraw/zinc/40/11/79/299401179.db2.gz OOSCBRFBBVJIEX-MJEQTWJJSA-N 2 0 272.392 2.630 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cnn1C(C)C ZINC000276540131 193373145 /nfs/dbraw/zinc/37/31/45/193373145.db2.gz ORUQIVAKOUOZJQ-CYBMUJFWSA-N 2 0 276.428 2.685 20 0 CFADRP CC(C)OC1CC([N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000459353080 245154359 /nfs/dbraw/zinc/15/43/59/245154359.db2.gz IAHKXHJBXFLJSV-GTPINHCMSA-N 2 0 280.456 2.606 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459658315 245260050 /nfs/dbraw/zinc/26/00/50/245260050.db2.gz PGXSAEUNGHDXFI-RPCCPQHDSA-N 2 0 274.383 2.898 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000459658498 245261656 /nfs/dbraw/zinc/26/16/56/245261656.db2.gz KPGZEXATIHWBQD-APHBMKBZSA-N 2 0 285.391 2.628 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCc2ccc3c[nH+]cn3c2)CC1 ZINC000459662602 245262903 /nfs/dbraw/zinc/26/29/03/245262903.db2.gz UGFQJZXTAAAYMN-UHFFFAOYSA-N 2 0 286.423 2.687 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000677237427 541837819 /nfs/dbraw/zinc/83/78/19/541837819.db2.gz HFPFKCUQLQSMNP-IRXDYDNUSA-N 2 0 288.435 2.899 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459723104 245284043 /nfs/dbraw/zinc/28/40/43/245284043.db2.gz COAXRBAATKGAJU-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459775899 245318132 /nfs/dbraw/zinc/31/81/32/245318132.db2.gz JOULJIXHLYZXBX-HUUCEWRRSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)CC1CCOCC1 ZINC000459783471 245323961 /nfs/dbraw/zinc/32/39/61/245323961.db2.gz NHIYPNANTWUEAK-WBVHZDCISA-N 2 0 282.472 2.761 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(C)c1O ZINC000459782598 245324774 /nfs/dbraw/zinc/32/47/74/245324774.db2.gz MRLGAPXISQKPNA-HNNXBMFYSA-N 2 0 276.424 2.831 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000019914646 372208586 /nfs/dbraw/zinc/20/85/86/372208586.db2.gz IHZNOUHWNSCOAD-AWEZNQCLSA-N 2 0 264.413 2.992 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000020200440 372235106 /nfs/dbraw/zinc/23/51/06/372235106.db2.gz CUDYWTLBOYXONU-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP C([NH2+]C1CCOCC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000036304151 372572207 /nfs/dbraw/zinc/57/22/07/372572207.db2.gz CYHQBTFRMCNZKQ-UHFFFAOYSA-N 2 0 280.456 2.944 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649110 372684566 /nfs/dbraw/zinc/68/45/66/372684566.db2.gz ZFBSOTBKFYXJCR-SUMWQHHRSA-N 2 0 256.393 2.748 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1 ZINC000037713304 372690095 /nfs/dbraw/zinc/69/00/95/372690095.db2.gz DMGZXTMGJVMTOR-GFCCVEGCSA-N 2 0 271.202 2.839 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000037715406 372692259 /nfs/dbraw/zinc/69/22/59/372692259.db2.gz DGDVLMJURUHPSG-UHFFFAOYSA-N 2 0 278.730 2.770 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000037976758 372743432 /nfs/dbraw/zinc/74/34/32/372743432.db2.gz PQPUKCAJHSAEKS-UHFFFAOYSA-N 2 0 262.397 2.583 20 0 CFADRP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3ccccc31)CCO2 ZINC000645385211 383686318 /nfs/dbraw/zinc/68/63/18/383686318.db2.gz QQNWJGFTNKPHEA-UHFFFAOYSA-N 2 0 297.402 2.536 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000042427633 372922030 /nfs/dbraw/zinc/92/20/30/372922030.db2.gz YSZRBCWSNDRNLJ-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP C[N@@H+](Cc1cccc(Br)c1)CC1CC[NH2+]CC1 ZINC000042440720 372923532 /nfs/dbraw/zinc/92/35/32/372923532.db2.gz ZOVOMMBASPQVRM-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000045663848 373027488 /nfs/dbraw/zinc/02/74/88/373027488.db2.gz GCCPANDQIVCTHI-GOSISDBHSA-N 2 0 289.467 2.582 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056522704 373566885 /nfs/dbraw/zinc/56/68/85/373566885.db2.gz XCSPICLVBJTBLM-UHFFFAOYSA-N 2 0 264.388 2.989 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000192519479 220226346 /nfs/dbraw/zinc/22/63/46/220226346.db2.gz AMEKRAQEAGRKQR-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000062038330 373742621 /nfs/dbraw/zinc/74/26/21/373742621.db2.gz ZJPHGTFPNULAAE-FCLXEUQJSA-N 2 0 276.399 2.972 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000062078395 373746762 /nfs/dbraw/zinc/74/67/62/373746762.db2.gz APNOHEMHVBIBGO-CVEARBPZSA-N 2 0 290.451 2.948 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000063197531 373795453 /nfs/dbraw/zinc/79/54/53/373795453.db2.gz RYTRIMNPFDXBEW-AWEZNQCLSA-N 2 0 250.411 2.712 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197687 373795599 /nfs/dbraw/zinc/79/55/99/373795599.db2.gz PSHQGWWRRXOOKY-KRWDZBQOSA-N 2 0 258.409 2.959 20 0 CFADRP CCC(CC)[C@@H](CNC1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000336831690 220245201 /nfs/dbraw/zinc/24/52/01/220245201.db2.gz KCAUSPBSIVNMNC-QGZVFWFLSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000337420951 220247594 /nfs/dbraw/zinc/24/75/94/220247594.db2.gz FQRURMVKKQAXPQ-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cccc2c1CC[C@@H]2[NH3+] ZINC001168768243 781965666 /nfs/dbraw/zinc/96/56/66/781965666.db2.gz AWEDJNIJKXUMEX-AWEZNQCLSA-N 2 0 261.413 2.632 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074279 374121978 /nfs/dbraw/zinc/12/19/78/374121978.db2.gz PSLHCTFHMRDDKF-CQSZACIVSA-N 2 0 262.397 2.564 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000069723958 374089432 /nfs/dbraw/zinc/08/94/32/374089432.db2.gz JCEGLCZWBIOZLS-SNVBAGLBSA-N 2 0 258.818 2.962 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000070169511 374135395 /nfs/dbraw/zinc/13/53/95/374135395.db2.gz BDIWAWKZLUAQIT-LBPRGKRZSA-N 2 0 284.350 2.849 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000070170883 374135683 /nfs/dbraw/zinc/13/56/83/374135683.db2.gz LBQGBGLEERVEST-ZDUSSCGKSA-N 2 0 287.382 2.935 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169471 374136152 /nfs/dbraw/zinc/13/61/52/374136152.db2.gz VENNOAMZLHAMRE-CHWSQXEVSA-N 2 0 250.361 2.948 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000070171502 374137947 /nfs/dbraw/zinc/13/79/47/374137947.db2.gz HFJAXRFJWVSJLC-UKRRQHHQSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070171659 374138145 /nfs/dbraw/zinc/13/81/45/374138145.db2.gz ZGCPGZGABFCQHX-OCCSQVGLSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000070173871 374139215 /nfs/dbraw/zinc/13/92/15/374139215.db2.gz DFOGWMPCRQGYCQ-QWHCGFSZSA-N 2 0 287.382 2.933 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000070173874 374140296 /nfs/dbraw/zinc/14/02/96/374140296.db2.gz DFOGWMPCRQGYCQ-OLZOCXBDSA-N 2 0 287.382 2.933 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000070189985 374143076 /nfs/dbraw/zinc/14/30/76/374143076.db2.gz WAQMPENQRHIIGT-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccoc2C)[C@H](C)C1 ZINC000490418384 246008782 /nfs/dbraw/zinc/00/87/82/246008782.db2.gz DVLRBSCPYKGXBC-DOMZBBRYSA-N 2 0 250.386 2.750 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490601861 246014556 /nfs/dbraw/zinc/01/45/56/246014556.db2.gz OLGKRMOFNJHTJV-INIZCTEOSA-N 2 0 272.436 2.997 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000070534509 374190294 /nfs/dbraw/zinc/19/02/94/374190294.db2.gz XELNLQIASXYPDN-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251076040 189969094 /nfs/dbraw/zinc/96/90/94/189969094.db2.gz RVVJPDZAQSPMTE-RCCFBDPRSA-N 2 0 288.435 2.884 20 0 CFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678234930 541979583 /nfs/dbraw/zinc/97/95/83/541979583.db2.gz WXMQKGHETZIZLV-UHFFFAOYSA-N 2 0 298.434 2.754 20 0 CFADRP CC[C@H](COC)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000079706472 374626337 /nfs/dbraw/zinc/62/63/37/374626337.db2.gz MAWVGEWWMLLKSW-MRXNPFEDSA-N 2 0 264.413 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000086869608 374806169 /nfs/dbraw/zinc/80/61/69/374806169.db2.gz QAGGWYJRAMKCLM-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP Brc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000087646830 374828089 /nfs/dbraw/zinc/82/80/89/374828089.db2.gz WWMSFMFDDWRGQK-LBPRGKRZSA-N 2 0 283.213 2.538 20 0 CFADRP Cc1ncsc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088870043 374864564 /nfs/dbraw/zinc/86/45/64/374864564.db2.gz VYEZDTPFZRREMG-YHWZYXNKSA-N 2 0 265.426 2.556 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089139429 374872798 /nfs/dbraw/zinc/87/27/98/374872798.db2.gz NAJQITFYHZHIIB-QZTJIDSGSA-N 2 0 289.467 2.616 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000089139859 374872953 /nfs/dbraw/zinc/87/29/53/374872953.db2.gz DKBLYCYMEDNOPN-NJZAAPMLSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000089142146 374873702 /nfs/dbraw/zinc/87/37/02/374873702.db2.gz AGRQKKAZQWZOPM-IACUBPJLSA-N 2 0 276.380 2.583 20 0 CFADRP CCn1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c2ccccc21 ZINC000089173638 374884109 /nfs/dbraw/zinc/88/41/09/374884109.db2.gz NGRLTHSKQIQPEA-CYBMUJFWSA-N 2 0 286.423 2.615 20 0 CFADRP c1cc(N2CCC([NH2+][C@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000088747878 374862081 /nfs/dbraw/zinc/86/20/81/374862081.db2.gz ONPDIJXEZCXFIU-AWEZNQCLSA-N 2 0 257.381 2.749 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000089425592 374904318 /nfs/dbraw/zinc/90/43/18/374904318.db2.gz FUWDZMXHAANSJH-GOSISDBHSA-N 3 0 295.515 2.915 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000090218377 375004086 /nfs/dbraw/zinc/00/40/86/375004086.db2.gz QAOCADCOSPDKIW-JSRQGNBESA-N 2 0 282.472 2.756 20 0 CFADRP C[N@H+](CCCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000090694094 375023317 /nfs/dbraw/zinc/02/33/17/375023317.db2.gz XWFSMAMQTWVKID-UHFFFAOYSA-N 2 0 260.425 2.941 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089001 375185225 /nfs/dbraw/zinc/18/52/25/375185225.db2.gz LFMSDHYJEROPOG-SOFGYWHQSA-N 2 0 288.435 2.982 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000092565108 375124654 /nfs/dbraw/zinc/12/46/54/375124654.db2.gz JJDYNBPAUYXCQB-WMZOPIPTSA-N 2 0 295.515 2.676 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000092587573 375126157 /nfs/dbraw/zinc/12/61/57/375126157.db2.gz MVDIUZRRWQSKDS-HUUCEWRRSA-N 2 0 282.472 2.854 20 0 CFADRP C1=C(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)COCC1 ZINC000093769347 375307012 /nfs/dbraw/zinc/30/70/12/375307012.db2.gz AHYQDKBNQMFVHV-UHFFFAOYSA-N 2 0 292.467 2.921 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccncc1 ZINC000093515654 375262013 /nfs/dbraw/zinc/26/20/13/375262013.db2.gz LFLTVRRLCMBEPS-HOCLYGCPSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)C[NH+]1CCCC1 ZINC000093516423 375262030 /nfs/dbraw/zinc/26/20/30/375262030.db2.gz JAMCPFPOHRVRSW-BRWVUGGUSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[NH+]1CCC(C)CC1 ZINC000093515965 375262117 /nfs/dbraw/zinc/26/21/17/375262117.db2.gz ULDZQOAXYWHPLF-SJORKVTESA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOCC1CC1 ZINC000093513904 375262427 /nfs/dbraw/zinc/26/24/27/375262427.db2.gz PWULFUVQNGELIK-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)c1cccc(O)c1 ZINC000094011557 375335929 /nfs/dbraw/zinc/33/59/29/375335929.db2.gz HIDPMVDEUICFQE-ZDUSSCGKSA-N 2 0 262.397 2.775 20 0 CFADRP C[C@H](c1ccccc1F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070126 375338222 /nfs/dbraw/zinc/33/82/22/375338222.db2.gz ANKAFWFJZNJGNY-CYBMUJFWSA-N 2 0 280.387 2.717 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000094370365 375357331 /nfs/dbraw/zinc/35/73/31/375357331.db2.gz XAOFBPNODZDXNB-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCC1 ZINC000094424394 375360371 /nfs/dbraw/zinc/36/03/71/375360371.db2.gz SECJZCSWDKHBIH-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c(C)n1 ZINC000678411990 542021583 /nfs/dbraw/zinc/02/15/83/542021583.db2.gz QNESVENSFAORSY-AWEZNQCLSA-N 2 0 261.413 2.835 20 0 CFADRP CCc1nocc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000507097489 247162207 /nfs/dbraw/zinc/16/22/07/247162207.db2.gz HKIDUXWZIPICPG-UHFFFAOYSA-N 2 0 265.401 2.542 20 0 CFADRP Cc1sccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000507209633 247169448 /nfs/dbraw/zinc/16/94/48/247169448.db2.gz ISRAHVOCVGBZOT-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507488870 247175601 /nfs/dbraw/zinc/17/56/01/247175601.db2.gz VRFDOZPRDNXIHY-VDHUWJSZSA-N 2 0 288.435 2.522 20 0 CFADRP CC(C)C1CCC(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000512029759 247208628 /nfs/dbraw/zinc/20/86/28/247208628.db2.gz DVMKGXCBFKWFIL-AOCRQIFASA-N 2 0 295.515 2.674 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000104316649 375778428 /nfs/dbraw/zinc/77/84/28/375778428.db2.gz PKEMIDPJDWOZCK-ZWNOBZJWSA-N 2 0 279.453 2.895 20 0 CFADRP CCCCn1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000678698094 542059342 /nfs/dbraw/zinc/05/93/42/542059342.db2.gz MVNFCJVJLWBCLV-CQSZACIVSA-N 2 0 292.471 2.812 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC000111380717 375841362 /nfs/dbraw/zinc/84/13/62/375841362.db2.gz RQMONJVSJCRWEV-INIZCTEOSA-N 2 0 269.392 2.938 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc2cccnc21 ZINC000111380714 375841938 /nfs/dbraw/zinc/84/19/38/375841938.db2.gz RQMONJVSJCRWEV-MRXNPFEDSA-N 2 0 269.392 2.938 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000111612063 375858993 /nfs/dbraw/zinc/85/89/93/375858993.db2.gz BGAPWXDNNLMYPI-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000678773761 542067874 /nfs/dbraw/zinc/06/78/74/542067874.db2.gz SRSQDFUPGNWGGB-CRAIPNDOSA-N 2 0 290.451 2.615 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000112358636 375913030 /nfs/dbraw/zinc/91/30/30/375913030.db2.gz LEBDDHPASMANGO-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119084310 376350727 /nfs/dbraw/zinc/35/07/27/376350727.db2.gz LIHYYTMWSMRTAT-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3c(s2)CCC3)C[C@H]1C ZINC000678833028 542080199 /nfs/dbraw/zinc/08/01/99/542080199.db2.gz QTRCMKOXSQOULQ-CHWSQXEVSA-N 2 0 293.480 2.936 20 0 CFADRP CCC[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000678844371 542082785 /nfs/dbraw/zinc/08/27/85/542082785.db2.gz YKWOLJAFAPPPDO-BRWVUGGUSA-N 2 0 258.409 2.722 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ncc(C)s2)[C@H](C)C1 ZINC000120618532 376653447 /nfs/dbraw/zinc/65/34/47/376653447.db2.gz WJGWOOKTXPLLMD-BZPMIXESSA-N 2 0 281.469 2.875 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120910979 376719087 /nfs/dbraw/zinc/71/90/87/376719087.db2.gz WYAKBSGVJKRVLR-ZFWWWQNUSA-N 2 0 295.496 2.591 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120992245 376739389 /nfs/dbraw/zinc/73/93/89/376739389.db2.gz YEXDXJJAQCJWLC-WBVHZDCISA-N 2 0 289.467 2.529 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000121785206 376904776 /nfs/dbraw/zinc/90/47/76/376904776.db2.gz ULDBGECGLWNOJB-CYBMUJFWSA-N 2 0 279.403 2.993 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000121838000 376916909 /nfs/dbraw/zinc/91/69/09/376916909.db2.gz NWVUNAPKQOCZCU-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529522830 383717754 /nfs/dbraw/zinc/71/77/54/383717754.db2.gz HCIDLNFOSJKLKA-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124623864 377070401 /nfs/dbraw/zinc/07/04/01/377070401.db2.gz OLFDDSYBOSLWTQ-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000124790439 377089430 /nfs/dbraw/zinc/08/94/30/377089430.db2.gz NBIJGEZTMGOKOS-UHFFFAOYSA-N 2 0 257.381 2.585 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000125292743 377137994 /nfs/dbraw/zinc/13/79/94/377137994.db2.gz VVGWHINRZSKXOE-FUHWJXTLSA-N 2 0 290.451 2.708 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000125296145 377138442 /nfs/dbraw/zinc/13/84/42/377138442.db2.gz JABOILHWCHSKRO-CQSZACIVSA-N 2 0 267.442 2.655 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000126416936 377226142 /nfs/dbraw/zinc/22/61/42/377226142.db2.gz NRKJLKIHBOAVRV-CQSZACIVSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000127102031 377264692 /nfs/dbraw/zinc/26/46/92/377264692.db2.gz XQBFRRAPVLJJDC-JONQDZQNSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000127134358 377265444 /nfs/dbraw/zinc/26/54/44/377265444.db2.gz CILIGFVWLQLPSH-UHFFFAOYSA-N 2 0 272.392 2.890 20 0 CFADRP COC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000125972674 377204553 /nfs/dbraw/zinc/20/45/53/377204553.db2.gz LIGMHKCVBNGBGS-ZIAGYGMSSA-N 2 0 258.450 2.613 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000126015672 377206506 /nfs/dbraw/zinc/20/65/06/377206506.db2.gz ODRHPBNNKOVWFM-HOCLYGCPSA-N 2 0 292.471 2.754 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128990562 377371192 /nfs/dbraw/zinc/37/11/92/377371192.db2.gz KYKYNYGUORZVMJ-ZIAGYGMSSA-N 2 0 262.397 2.796 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000130223992 377523284 /nfs/dbraw/zinc/52/32/84/377523284.db2.gz DNMWFYPCAPVGLQ-CWRNSKLLSA-N 2 0 274.408 2.973 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000349720838 284639876 /nfs/dbraw/zinc/63/98/76/284639876.db2.gz KKBIWLAARGQQJO-LBPRGKRZSA-N 2 0 299.484 2.769 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000337363529 284640181 /nfs/dbraw/zinc/64/01/81/284640181.db2.gz AIPBGKANTIUCPT-AWEZNQCLSA-N 2 0 282.428 2.905 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130504820 377567592 /nfs/dbraw/zinc/56/75/92/377567592.db2.gz IBPRAFDLVZPHID-UAGQMJEPSA-N 2 0 274.408 2.645 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]C3CSC3)CC2)CC1 ZINC000679626470 542215275 /nfs/dbraw/zinc/21/52/75/542215275.db2.gz VLDQWYIFGCDAID-UHFFFAOYSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)C[NH+]1CCCC1 ZINC000529531991 383722004 /nfs/dbraw/zinc/72/20/04/383722004.db2.gz OAOZRTDGPRQINA-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H](Nc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000132174713 377811543 /nfs/dbraw/zinc/81/15/43/377811543.db2.gz YJDMTRANDUYJNF-ZBFHGGJFSA-N 2 0 288.439 2.824 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000132355235 377828730 /nfs/dbraw/zinc/82/87/30/377828730.db2.gz YQBVUBWFCVDXTP-KURKYZTESA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000132355845 377831471 /nfs/dbraw/zinc/83/14/71/377831471.db2.gz YQBVUBWFCVDXTP-BZSNNMDCSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCNc2ccccc2)CC[N@@H+]1C ZINC000132009907 377789359 /nfs/dbraw/zinc/78/93/59/377789359.db2.gz MZFRWOSZDSNNDB-HOCLYGCPSA-N 2 0 261.413 2.561 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000132439301 377838996 /nfs/dbraw/zinc/83/89/96/377838996.db2.gz QUGYHYNMEYCTRD-IAGOWNOFSA-N 2 0 289.467 2.975 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2)[C@H](C)C1 ZINC000132034352 377793756 /nfs/dbraw/zinc/79/37/56/377793756.db2.gz YQFSNNTXSDEFSH-WBVHZDCISA-N 2 0 275.440 2.809 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132917658 377887443 /nfs/dbraw/zinc/88/74/43/377887443.db2.gz JSNNRPUWLWEHBM-HZPDHXFCSA-N 2 0 276.424 2.836 20 0 CFADRP COCc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000133418689 377928645 /nfs/dbraw/zinc/92/86/45/377928645.db2.gz NGVXMTRBUJJVRT-MRXNPFEDSA-N 2 0 264.413 2.638 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529533941 383723579 /nfs/dbraw/zinc/72/35/79/383723579.db2.gz NDHLZHCXIWNEOB-AWEZNQCLSA-N 2 0 257.381 2.551 20 0 CFADRP CC(C)c1nccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000133747514 377954356 /nfs/dbraw/zinc/95/43/56/377954356.db2.gz SEFFXZPUVUGJPD-ZIAGYGMSSA-N 2 0 274.412 2.521 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000133910673 377966869 /nfs/dbraw/zinc/96/68/69/377966869.db2.gz BSVQVARALVPWCC-STQMWFEESA-N 2 0 252.377 2.687 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000134002610 377974994 /nfs/dbraw/zinc/97/49/94/377974994.db2.gz LLUFTDRBPFMVBL-SJORKVTESA-N 2 0 280.456 2.681 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000134180096 377991147 /nfs/dbraw/zinc/99/11/47/377991147.db2.gz QBDYQGVQBHZWNY-KZNAEPCWSA-N 2 0 294.483 2.805 20 0 CFADRP c1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000134884399 378059201 /nfs/dbraw/zinc/05/92/01/378059201.db2.gz PUQFORQFWVESDW-CRAIPNDOSA-N 2 0 285.435 2.573 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)[C@@H]2C1 ZINC000529541943 383726676 /nfs/dbraw/zinc/72/66/76/383726676.db2.gz NDTGUBDBRUYSDA-NVXWUHKLSA-N 2 0 269.392 2.694 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150853929 378275542 /nfs/dbraw/zinc/27/55/42/378275542.db2.gz ZSSCQOUAIXSWSG-KRWDZBQOSA-N 2 0 288.435 2.655 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151152634 378301734 /nfs/dbraw/zinc/30/17/34/378301734.db2.gz QGBPIHKQUFXGDT-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000151380618 378321158 /nfs/dbraw/zinc/32/11/58/378321158.db2.gz KADRCUMSHZMPNJ-ZQIUZPCESA-N 2 0 258.409 2.895 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000153053759 378470121 /nfs/dbraw/zinc/47/01/21/378470121.db2.gz NZCQATJMCZJWCO-INIZCTEOSA-N 2 0 266.429 2.552 20 0 CFADRP CC1CC[NH+](CCN2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000153871626 378518114 /nfs/dbraw/zinc/51/81/14/378518114.db2.gz YNCZELKHGGKBER-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC[NH+]1CCC(C)CC1)CC2 ZINC000154111009 378539444 /nfs/dbraw/zinc/53/94/44/378539444.db2.gz VQGGOIUVZSWWEI-MSOLQXFVSA-N 2 0 293.499 2.665 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCN1C ZINC000154622410 378584752 /nfs/dbraw/zinc/58/47/52/378584752.db2.gz WIQGKTRXUMKSMB-WMLDXEAASA-N 2 0 274.408 2.756 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000155125749 378611389 /nfs/dbraw/zinc/61/13/89/378611389.db2.gz VTFLTVQRJLPMDO-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OC)c2)[C@H](C)C1 ZINC000158952604 378676319 /nfs/dbraw/zinc/67/63/19/378676319.db2.gz QGNWAESGZFYEIF-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccccn2)C1 ZINC000159015611 378680112 /nfs/dbraw/zinc/68/01/12/378680112.db2.gz MURLOMDCORKLFD-LSDHHAIUSA-N 2 0 261.413 2.853 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529568781 383731451 /nfs/dbraw/zinc/73/14/51/383731451.db2.gz GTWCJOOMNCXOQW-DYVFJYSZSA-N 2 0 271.408 2.940 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529568782 383731677 /nfs/dbraw/zinc/73/16/77/383731677.db2.gz GTWCJOOMNCXOQW-GUYCJALGSA-N 2 0 271.408 2.940 20 0 CFADRP Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000264364716 383731929 /nfs/dbraw/zinc/73/19/29/383731929.db2.gz FEQAMGPJNOQEKP-HNNXBMFYSA-N 2 0 298.434 2.591 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160923489 378809982 /nfs/dbraw/zinc/80/99/82/378809982.db2.gz UMTSLWOPPXEMLW-UHFFFAOYSA-N 2 0 258.768 2.911 20 0 CFADRP COc1ccsc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278502827 194014867 /nfs/dbraw/zinc/01/48/67/194014867.db2.gz OETZHZLREREZNK-UHFFFAOYSA-N 2 0 280.437 2.721 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccncc1 ZINC000162733381 378929462 /nfs/dbraw/zinc/92/94/62/378929462.db2.gz KXIIYSPLYGUNPQ-JKSUJKDBSA-N 2 0 259.397 2.703 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000162522220 378915169 /nfs/dbraw/zinc/91/51/69/378915169.db2.gz JLXIRTFLMIQQHN-KRWDZBQOSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162549283 378918245 /nfs/dbraw/zinc/91/82/45/378918245.db2.gz DZSIRSJWJCWXNY-CQSZACIVSA-N 2 0 264.413 2.761 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC000163489258 378976717 /nfs/dbraw/zinc/97/67/17/378976717.db2.gz PKDADSZNKAPJJC-BXUZGUMPSA-N 2 0 250.361 2.551 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000163222223 378960022 /nfs/dbraw/zinc/96/00/22/378960022.db2.gz DSGCKJFMLHOANI-WMZOPIPTSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1cncc(F)c1 ZINC000163843825 378993987 /nfs/dbraw/zinc/99/39/87/378993987.db2.gz LUZAESSBPFLFPG-GFCCVEGCSA-N 2 0 274.343 2.769 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)CC[N@@H+]1C ZINC000164685550 379021853 /nfs/dbraw/zinc/02/18/53/379021853.db2.gz UYDFVEUVNFPGNZ-NEPJUHHUSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000335276528 379011334 /nfs/dbraw/zinc/01/13/34/379011334.db2.gz FHTMMPTXMAVFBM-CQSZACIVSA-N 2 0 273.424 2.662 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165338868 379037061 /nfs/dbraw/zinc/03/70/61/379037061.db2.gz YPIOEMRUILGWGE-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000278640145 194081698 /nfs/dbraw/zinc/08/16/98/194081698.db2.gz HTBWELXBAXMWHE-OAHLLOKOSA-N 2 0 276.428 2.728 20 0 CFADRP C[NH2+][C@@H]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000335287350 379029367 /nfs/dbraw/zinc/02/93/67/379029367.db2.gz ASTTVHDBNACBOX-CYBMUJFWSA-N 2 0 255.365 2.650 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000166037174 379050128 /nfs/dbraw/zinc/05/01/28/379050128.db2.gz OIZNLSNLVZOULL-CJNGLKHVSA-N 2 0 282.403 2.833 20 0 CFADRP CO[C@@H]1CCN(Cc2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000167146348 379068746 /nfs/dbraw/zinc/06/87/46/379068746.db2.gz DMEWYYQYHBCWPY-IAGOWNOFSA-N 2 0 276.424 2.748 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2sccc2Cl)CC1 ZINC000278736891 194131503 /nfs/dbraw/zinc/13/15/03/194131503.db2.gz MHLWCGQHJGNKSO-UHFFFAOYSA-N 2 0 256.802 2.753 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335424738 379273419 /nfs/dbraw/zinc/27/34/19/379273419.db2.gz HGEOPVFFKLRBHI-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000335522496 379447481 /nfs/dbraw/zinc/44/74/81/379447481.db2.gz VUKBPGZCHSAZGU-BLLLJJGKSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)COC2 ZINC000335499434 379406469 /nfs/dbraw/zinc/40/64/69/379406469.db2.gz FCWJVQSQXYBIIP-SOISORPOSA-N 2 0 260.381 2.637 20 0 CFADRP C[C@@]1(O)CCC[N@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000335530878 379461301 /nfs/dbraw/zinc/46/13/01/379461301.db2.gz ZFPMYIXQDZONAG-OAHLLOKOSA-N 2 0 291.420 2.671 20 0 CFADRP COC1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335594010 379578801 /nfs/dbraw/zinc/57/88/01/379578801.db2.gz FNKBGGBINSZKGS-INCPQMAJSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@H]1C[C@@H](NCc2ccsc2Cl)CC[N@@H+]1C ZINC000335603763 379590067 /nfs/dbraw/zinc/59/00/67/379590067.db2.gz ZTPRZJFQILVJQP-ONGXEEELSA-N 2 0 258.818 2.974 20 0 CFADRP C[C@@H]1C[C@@H](NCc2ccsc2Cl)CC[N@@H+]1C ZINC000335603761 379590323 /nfs/dbraw/zinc/59/03/23/379590323.db2.gz ZTPRZJFQILVJQP-KOLCDFICSA-N 2 0 258.818 2.974 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000335606052 379594118 /nfs/dbraw/zinc/59/41/18/379594118.db2.gz CUXNJJQCCIYSKD-SCZZXKLOSA-N 2 0 289.242 2.550 20 0 CFADRP C[C@@H](C[NH+]1CCC2(CC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000334585566 379577645 /nfs/dbraw/zinc/57/76/45/379577645.db2.gz HFYROYHHPUGAPE-ZDUSSCGKSA-N 2 0 262.372 2.757 20 0 CFADRP Cn1c2cc(Cl)ccc2nc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000334615577 379630932 /nfs/dbraw/zinc/63/09/32/379630932.db2.gz KVRPEJFAZSUKFC-VXGBXAGGSA-N 2 0 292.814 2.586 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[NH2+]1 ZINC000335641025 379646698 /nfs/dbraw/zinc/64/66/98/379646698.db2.gz PRERCACCQQXXPV-WCQYABFASA-N 2 0 273.355 2.604 20 0 CFADRP Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172650835 379615209 /nfs/dbraw/zinc/61/52/09/379615209.db2.gz GSCLIIUIPYOUOY-INIZCTEOSA-N 2 0 258.409 2.913 20 0 CFADRP CCn1cncc1CN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000529637855 383739368 /nfs/dbraw/zinc/73/93/68/383739368.db2.gz AEXLQZIOXPWLSK-UHFFFAOYSA-N 2 0 299.422 2.549 20 0 CFADRP Cc1ccn2c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cnc2c1 ZINC000334629092 379659289 /nfs/dbraw/zinc/65/92/89/379659289.db2.gz SDFCFXAPAFFCSL-QGZVFWFLSA-N 2 0 298.434 2.607 20 0 CFADRP COc1cc(F)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000334629209 379660680 /nfs/dbraw/zinc/66/06/80/379660680.db2.gz SZPNXXGQELVJNZ-UHFFFAOYSA-N 2 0 292.398 2.895 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC000173893569 379795065 /nfs/dbraw/zinc/79/50/65/379795065.db2.gz LLLHICHRUYFPHZ-AWEZNQCLSA-N 2 0 250.361 2.599 20 0 CFADRP CSc1ccc(OCCN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000173745276 379773358 /nfs/dbraw/zinc/77/33/58/379773358.db2.gz YQWRSFMFVMJZPY-AWEZNQCLSA-N 2 0 294.464 2.671 20 0 CFADRP Cc1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000335722591 379784742 /nfs/dbraw/zinc/78/47/42/379784742.db2.gz PCGGHYJQYHTKBX-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP Fc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1F ZINC000335743558 379817944 /nfs/dbraw/zinc/81/79/44/379817944.db2.gz QXZBSZKIADVSMC-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)CC(C)(C)C1 ZINC000174354910 379871038 /nfs/dbraw/zinc/87/10/38/379871038.db2.gz KAGWAQNCAWGEIR-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000335841762 379977003 /nfs/dbraw/zinc/97/70/03/379977003.db2.gz HLXUZKYVZBNSJJ-MNOVXSKESA-N 2 0 262.328 2.741 20 0 CFADRP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000335813364 379931518 /nfs/dbraw/zinc/93/15/18/379931518.db2.gz OEOWCXAQXRPLOM-CZIWCDLHSA-N 2 0 280.456 2.677 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000334845418 379932194 /nfs/dbraw/zinc/93/21/94/379932194.db2.gz GYUOTXNXYPDULW-ZBFHGGJFSA-N 2 0 273.424 2.515 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc3OC2)CCCCC1 ZINC000335010811 379956051 /nfs/dbraw/zinc/95/60/51/379956051.db2.gz QBYFSDYYZJZBFN-OAHLLOKOSA-N 2 0 274.408 2.631 20 0 CFADRP Clc1ccc([C@H]2OCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335044968 379962639 /nfs/dbraw/zinc/96/26/39/379962639.db2.gz WGWWCSDXUFYKQY-HUUCEWRRSA-N 2 0 280.799 2.512 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1[NH3+] ZINC000335857143 380003819 /nfs/dbraw/zinc/00/38/19/380003819.db2.gz BLVQFRIAYKCQJU-KDOFPFPSSA-N 2 0 281.403 2.918 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000335241693 380065549 /nfs/dbraw/zinc/06/55/49/380065549.db2.gz VBTLAINAKWXORZ-GOEBONIOSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]C/C=C\c2ccccc2)CCCO1 ZINC000432364092 383742218 /nfs/dbraw/zinc/74/22/18/383742218.db2.gz ZIXQJJGZOONQSI-VTGFLYEISA-N 2 0 288.435 2.790 20 0 CFADRP Cc1ccnc(C)c1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335963754 380168260 /nfs/dbraw/zinc/16/82/60/380168260.db2.gz YVCLQPREVVKXQZ-CQSZACIVSA-N 2 0 290.411 2.646 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(-c2ccncc2)c1 ZINC000336022388 380250569 /nfs/dbraw/zinc/25/05/69/380250569.db2.gz QBLOZQFFWDLOPT-OALUTQOASA-N 2 0 293.414 2.790 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCO2 ZINC000336226164 380290919 /nfs/dbraw/zinc/29/09/19/380290919.db2.gz LZEPQMQEMBEBBM-QQFBHYJXSA-N 2 0 278.440 2.695 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000336514783 380393831 /nfs/dbraw/zinc/39/38/31/380393831.db2.gz YJRRWVOWLWLMIE-OCCSQVGLSA-N 2 0 263.360 2.531 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH3+] ZINC000336537789 380435320 /nfs/dbraw/zinc/43/53/20/380435320.db2.gz LEDDXODSVPHABG-KBXCAEBGSA-N 2 0 281.403 2.918 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000178457842 380453816 /nfs/dbraw/zinc/45/38/16/380453816.db2.gz BJBCQNGHXMWKIR-OHFALNGGSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000177982308 380399377 /nfs/dbraw/zinc/39/93/77/380399377.db2.gz IWEXYIWBABQBGC-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]CCC[NH+](C)C)C2CC2)c1 ZINC000178115517 380411097 /nfs/dbraw/zinc/41/10/97/380411097.db2.gz UCKPZWMJNFAODZ-KRWDZBQOSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCOC1 ZINC000178158303 380415062 /nfs/dbraw/zinc/41/50/62/380415062.db2.gz MJTQJPZMNSLWMH-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@](C)([NH2+]CC1CC[NH2+]CC1)c1nc(C)cs1 ZINC000178982869 380498484 /nfs/dbraw/zinc/49/84/84/380498484.db2.gz AYUASJCIKASIHH-AWEZNQCLSA-N 2 0 267.442 2.666 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178981567 380498870 /nfs/dbraw/zinc/49/88/70/380498870.db2.gz VWEZGKJYWAFYBP-GOSISDBHSA-N 2 0 287.451 2.889 20 0 CFADRP Cc1cccn2c(C[NH2+]C3CC(F)(F)C3)cnc12 ZINC000336583101 380502971 /nfs/dbraw/zinc/50/29/71/380502971.db2.gz UYLMBPQUFIICHP-UHFFFAOYSA-N 2 0 251.280 2.530 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000336647831 380582241 /nfs/dbraw/zinc/58/22/41/380582241.db2.gz BHFOVXRXNVLFPM-AGIUHOORSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000336650123 380583768 /nfs/dbraw/zinc/58/37/68/380583768.db2.gz DMCZRGGHCUKVEE-QWRGUYRKSA-N 2 0 285.229 2.565 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000336794299 380641966 /nfs/dbraw/zinc/64/19/66/380641966.db2.gz BBXXXDQKBUJLJV-CHWSQXEVSA-N 2 0 250.386 2.719 20 0 CFADRP CCN(C)CC[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180270788 380642315 /nfs/dbraw/zinc/64/23/15/380642315.db2.gz VYSWDWFJFAWHMS-AWEZNQCLSA-N 2 0 285.435 2.875 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000336690701 380594844 /nfs/dbraw/zinc/59/48/44/380594844.db2.gz HIZWAZVCCGXWEU-KPPDAEKUSA-N 2 0 252.324 2.825 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000179910139 380596769 /nfs/dbraw/zinc/59/67/69/380596769.db2.gz MKUIFJXGUKGORM-BZSNNMDCSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000180074729 380618148 /nfs/dbraw/zinc/61/81/48/380618148.db2.gz KRTBNDJXQKBEDF-IAGOWNOFSA-N 2 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC(C)(C)OC)CC1 ZINC000336805735 380663302 /nfs/dbraw/zinc/66/33/02/380663302.db2.gz NSEPEZJWEUKZGH-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181238505 380761606 /nfs/dbraw/zinc/76/16/06/380761606.db2.gz RYCPRSPIXRULCE-QKPAOTATSA-N 2 0 268.445 2.510 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401016423 380867481 /nfs/dbraw/zinc/86/74/81/380867481.db2.gz OMVFGNRFDKABQV-ZQDZILKHSA-N 2 0 274.408 2.734 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000181711775 380871475 /nfs/dbraw/zinc/87/14/75/380871475.db2.gz FNSCWGSSBJQSAG-CZUORRHYSA-N 2 0 296.842 2.929 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347010172 380875563 /nfs/dbraw/zinc/87/55/63/380875563.db2.gz GBOVQZIYBGNVJX-NEPJUHHUSA-N 2 0 290.436 2.697 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)C1 ZINC000181558082 380827619 /nfs/dbraw/zinc/82/76/19/380827619.db2.gz CSJLALRWKLTOEE-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000347015484 380880740 /nfs/dbraw/zinc/88/07/40/380880740.db2.gz JOMRABROWNILTI-ZBFHGGJFSA-N 2 0 298.434 2.646 20 0 CFADRP CCC[N@H+](Cc1cccc(COC)c1)C1CC[NH2+]CC1 ZINC000347014474 380878649 /nfs/dbraw/zinc/87/86/49/380878649.db2.gz XMEGRGFWLNRXND-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2NCC3)[C@@H](C)C1 ZINC000346982284 380845471 /nfs/dbraw/zinc/84/54/71/380845471.db2.gz NDPSPSIWRJLVHU-WMLDXEAASA-N 2 0 287.451 2.817 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000399980641 380850887 /nfs/dbraw/zinc/85/08/87/380850887.db2.gz GRQYKOXTFMQRPW-GXTWGEPZSA-N 2 0 252.427 2.972 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346991478 380854680 /nfs/dbraw/zinc/85/46/80/380854680.db2.gz SZYKPMHNNMFBKO-GOSISDBHSA-N 3 0 295.515 2.820 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000400362085 380855723 /nfs/dbraw/zinc/85/57/23/380855723.db2.gz CIYJLWVSXYJQCG-RYQLBKOJSA-N 2 0 289.467 2.800 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1 ZINC000346995917 380860013 /nfs/dbraw/zinc/86/00/13/380860013.db2.gz VQJCXFQGTCSFNW-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP CCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)COC1 ZINC000353884029 380928473 /nfs/dbraw/zinc/92/84/73/380928473.db2.gz CTCOSPHLRLUNSD-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000347089655 380928985 /nfs/dbraw/zinc/92/89/85/380928985.db2.gz FJODYKVXLJMYHK-UHFFFAOYSA-N 2 0 281.469 2.872 20 0 CFADRP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358495815 380881796 /nfs/dbraw/zinc/88/17/96/380881796.db2.gz HTUOILWCNIOWPE-LBPRGKRZSA-N 2 0 292.427 2.504 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCOC2)c2ccccc21 ZINC000402181005 380881977 /nfs/dbraw/zinc/88/19/77/380881977.db2.gz ACYIIAYCOMNXME-WQVCFCJDSA-N 2 0 260.381 2.538 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000347017365 380882187 /nfs/dbraw/zinc/88/21/87/380882187.db2.gz DMMJMOAVAGHCNY-RYUDHWBXSA-N 2 0 293.480 2.827 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000368009638 380882790 /nfs/dbraw/zinc/88/27/90/380882790.db2.gz XOAOYULJMGSBBH-VGWMRTNUSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC[C@H]1CC ZINC000181750698 380884052 /nfs/dbraw/zinc/88/40/52/380884052.db2.gz VUWOMYZZLRCWGR-BZUAXINKSA-N 2 0 270.461 2.902 20 0 CFADRP CCCCc1noc([C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000358506985 380893670 /nfs/dbraw/zinc/89/36/70/380893670.db2.gz MJPBDIUDYMOZOE-ZDUSSCGKSA-N 2 0 292.427 2.549 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347035402 380897067 /nfs/dbraw/zinc/89/70/67/380897067.db2.gz GPAZNZFYQMZGMD-MRXNPFEDSA-N 2 0 281.403 2.919 20 0 CFADRP Cc1cccnc1CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000405091288 380908875 /nfs/dbraw/zinc/90/88/75/380908875.db2.gz QAMQBBFWDUGLQB-CVEARBPZSA-N 2 0 275.440 2.833 20 0 CFADRP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000341303146 380918028 /nfs/dbraw/zinc/91/80/28/380918028.db2.gz OMPGDYUBRWJJIF-ZIAGYGMSSA-N 2 0 268.445 2.533 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000181867260 380922616 /nfs/dbraw/zinc/92/26/16/380922616.db2.gz IVJKCBDFLNEQIQ-LSDHHAIUSA-N 2 0 289.423 2.821 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2c[nH]c3ncccc23)CC1 ZINC000341341901 380949131 /nfs/dbraw/zinc/94/91/31/380949131.db2.gz HUPFZOOMYBCTSV-UHFFFAOYSA-N 2 0 286.423 2.568 20 0 CFADRP C[C@H]1C[C@H](Nc2cc[nH+]cc2-c2cccnc2)C[N@@H+]1C1CC1 ZINC000368179674 380950785 /nfs/dbraw/zinc/95/07/85/380950785.db2.gz WWVFZDMSNQFQBG-ZFWWWQNUSA-N 2 0 294.402 2.603 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000353918254 380953670 /nfs/dbraw/zinc/95/36/70/380953670.db2.gz STHQJYGQGLUERQ-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CC(C)(C)C ZINC000288574612 197117432 /nfs/dbraw/zinc/11/74/32/197117432.db2.gz NHCPZRTYLDTPCY-UHFFFAOYSA-N 2 0 279.428 2.548 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000341358022 380963189 /nfs/dbraw/zinc/96/31/89/380963189.db2.gz APBPBZMRRLUPFJ-GVDBMIGSSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000341358025 380963634 /nfs/dbraw/zinc/96/36/34/380963634.db2.gz APBPBZMRRLUPFJ-IXDOHACOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+]CCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000182053822 380975933 /nfs/dbraw/zinc/97/59/33/380975933.db2.gz RSYFVTOUQREAGN-KRWDZBQOSA-N 2 0 290.451 2.567 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1Oc1cccnc1 ZINC000347108169 380941926 /nfs/dbraw/zinc/94/19/26/380941926.db2.gz MNKKIIOXFRKOHN-INIZCTEOSA-N 2 0 297.402 2.963 20 0 CFADRP COC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000368405850 381014431 /nfs/dbraw/zinc/01/44/31/381014431.db2.gz WIRKZJVDGVOBBP-CQSZACIVSA-N 2 0 294.414 2.662 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC2([C@@H](C)CCO)CCC2)CC1 ZINC000341400243 380993844 /nfs/dbraw/zinc/99/38/44/380993844.db2.gz OVICZHPEGUXLSD-HNNXBMFYSA-N 2 0 282.472 2.638 20 0 CFADRP CO[C@@H](C)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182359562 381073944 /nfs/dbraw/zinc/07/39/44/381073944.db2.gz OMYQSSFZTWKHKN-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)N(C)C[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000289599974 381061839 /nfs/dbraw/zinc/06/18/39/381061839.db2.gz BNNXRYSTXCXSGR-MRXNPFEDSA-N 2 0 289.467 2.974 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354077562 381062352 /nfs/dbraw/zinc/06/23/52/381062352.db2.gz FDIUWBSWOGQWKP-KRWDZBQOSA-N 2 0 276.424 2.619 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354077563 381063030 /nfs/dbraw/zinc/06/30/30/381063030.db2.gz FDIUWBSWOGQWKP-QGZVFWFLSA-N 2 0 276.424 2.619 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000354085168 381069904 /nfs/dbraw/zinc/06/99/04/381069904.db2.gz UVRCMKYTNWSLKE-IAGOWNOFSA-N 2 0 280.456 2.775 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000354085170 381070179 /nfs/dbraw/zinc/07/01/79/381070179.db2.gz UVRCMKYTNWSLKE-SJORKVTESA-N 2 0 280.456 2.775 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)(C)C ZINC000182262650 381043918 /nfs/dbraw/zinc/04/39/18/381043918.db2.gz IABJYODVEVCWEI-YOEHRIQHSA-N 2 0 290.451 2.777 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000368609031 381083412 /nfs/dbraw/zinc/08/34/12/381083412.db2.gz USQLJKSDFDXXAP-PVAVHDDUSA-N 2 0 276.399 2.831 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000354108410 381085750 /nfs/dbraw/zinc/08/57/50/381085750.db2.gz VNGDXHPRHQVPTQ-KRWDZBQOSA-N 2 0 294.414 2.758 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1nccn1C ZINC000182457060 381091044 /nfs/dbraw/zinc/09/10/44/381091044.db2.gz ZGRCUEMTKUCPCX-XHSDSOJGSA-N 2 0 292.471 2.829 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347396165 381122210 /nfs/dbraw/zinc/12/22/10/381122210.db2.gz UJUBELUUWBSXCK-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@H+](CCCO[C@H]1CCCCO1)CC[C@H]1CCCC[NH+]1C ZINC000358804576 381095359 /nfs/dbraw/zinc/09/53/59/381095359.db2.gz JNMXKHACUULKNL-SJORKVTESA-N 2 0 298.471 2.726 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000182522835 381106949 /nfs/dbraw/zinc/10/69/49/381106949.db2.gz HINQRJQFKWCGDQ-AWEZNQCLSA-N 2 0 284.444 2.572 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCOC1(C)C ZINC000295840072 381110024 /nfs/dbraw/zinc/11/00/24/381110024.db2.gz ALXNJUMZXUFXPH-DJIMGWMZSA-N 2 0 288.435 2.664 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccsc1 ZINC000295841734 381110252 /nfs/dbraw/zinc/11/02/52/381110252.db2.gz FPYHJJOWRQBUNT-AWEZNQCLSA-N 2 0 270.442 2.757 20 0 CFADRP Cc1[nH+]ccc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1Cl ZINC000354156311 381112980 /nfs/dbraw/zinc/11/29/80/381112980.db2.gz YGHXZFQEQXJYIR-CYBMUJFWSA-N 2 0 281.831 2.855 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000412037514 381115551 /nfs/dbraw/zinc/11/55/51/381115551.db2.gz HWJQQSHWCSWFCJ-MRXNPFEDSA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411970882 381076943 /nfs/dbraw/zinc/07/69/43/381076943.db2.gz NVRARDJKTMXZMV-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@@H](C)C1 ZINC000347425927 381144045 /nfs/dbraw/zinc/14/40/45/381144045.db2.gz WMUJMHQNIOVSOC-QWRGUYRKSA-N 2 0 252.324 2.649 20 0 CFADRP CCOC(=O)CCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354212074 381144054 /nfs/dbraw/zinc/14/40/54/381144054.db2.gz ZHMJMVSPKUMADE-LSDHHAIUSA-N 2 0 284.444 2.524 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2COCC)C1 ZINC000354211696 381144646 /nfs/dbraw/zinc/14/46/46/381144646.db2.gz NMDCFHZSEGSQEL-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2[nH]ncc2C)cc1 ZINC000289765652 381145157 /nfs/dbraw/zinc/14/51/57/381145157.db2.gz GDRNJPRLCKRUBA-UHFFFAOYSA-N 2 0 286.423 2.850 20 0 CFADRP C[N@H+](CC[C@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000347433111 381148291 /nfs/dbraw/zinc/14/82/91/381148291.db2.gz GNSBPRDIQYAZRG-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000295872213 381128896 /nfs/dbraw/zinc/12/88/96/381128896.db2.gz HDSOCYQNCZUVFK-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)COC2 ZINC000295878172 381132369 /nfs/dbraw/zinc/13/23/69/381132369.db2.gz GUNORJGBWVDIEN-ZBHOBAHQSA-N 2 0 286.419 2.993 20 0 CFADRP Cc1cnccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000295962675 381184394 /nfs/dbraw/zinc/18/43/94/381184394.db2.gz HXYSKBSDNLDHEV-QGZVFWFLSA-N 2 0 273.424 2.554 20 0 CFADRP CC(C)COCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000369117544 381196098 /nfs/dbraw/zinc/19/60/98/381196098.db2.gz QRYPXTLQIXVPCJ-MRXNPFEDSA-N 2 0 294.483 2.855 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000358987423 381196500 /nfs/dbraw/zinc/19/65/00/381196500.db2.gz MIONQNRROABWGS-DLBZAZTESA-N 2 0 282.472 2.927 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000359001602 381207210 /nfs/dbraw/zinc/20/72/10/381207210.db2.gz MNIAVLJSVIPNIG-CIDNJEQPSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000183073599 381211179 /nfs/dbraw/zinc/21/11/79/381211179.db2.gz MVLFECKHZSUVPN-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100216 381216671 /nfs/dbraw/zinc/21/66/71/381216671.db2.gz HFSSZWSZXBHAPH-GOEBONIOSA-N 2 0 278.440 2.576 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCC(C)CC1 ZINC000359014034 381216685 /nfs/dbraw/zinc/21/66/85/381216685.db2.gz KJLLJECDWPRCAK-LHJGCZIBSA-N 2 0 282.472 2.900 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](CC2CCC2)CC1 ZINC000347610361 381254106 /nfs/dbraw/zinc/25/41/06/381254106.db2.gz XCQUQGVVODVGPJ-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CCN(CCC[NH+]1CCCC1)Cc1ccncc1C ZINC000296122446 381264660 /nfs/dbraw/zinc/26/46/60/381264660.db2.gz TUZFZEBVVVJPNK-UHFFFAOYSA-N 2 0 261.413 2.698 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1C(C)(C)C1(C)C ZINC000354355037 381220996 /nfs/dbraw/zinc/22/09/96/381220996.db2.gz ZYIMVQDNFWEQRZ-GJZGRUSLSA-N 2 0 296.499 2.884 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1C(C)(C)C1(C)C)CN1CC[NH+](C)CC1 ZINC000354353453 381221391 /nfs/dbraw/zinc/22/13/91/381221391.db2.gz UQAPUUUJVAJDCO-HUUCEWRRSA-N 2 0 295.515 2.530 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000183184612 381229016 /nfs/dbraw/zinc/22/90/16/381229016.db2.gz JHFBTENVUTVEFA-ZMSDIMECSA-N 2 0 282.472 2.900 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000183198818 381235291 /nfs/dbraw/zinc/23/52/91/381235291.db2.gz HASKZONBRKGOJF-QRTARXTBSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@]1(F)CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000296065002 381239225 /nfs/dbraw/zinc/23/92/25/381239225.db2.gz PNLDIMBBUYDAOZ-OAHLLOKOSA-N 2 0 274.343 2.591 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC000290076030 381288149 /nfs/dbraw/zinc/28/81/49/381288149.db2.gz GKDYVQYJPFCDRF-QGZVFWFLSA-N 2 0 288.435 2.761 20 0 CFADRP c1csc(C2([NH2+]CCC3CC[NH2+]CC3)CCCC2)n1 ZINC000359219893 381293148 /nfs/dbraw/zinc/29/31/48/381293148.db2.gz MVDBOXIZAFZMFY-UHFFFAOYSA-N 2 0 279.453 2.892 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1csc(C)c1 ZINC000296207670 381303336 /nfs/dbraw/zinc/30/33/36/381303336.db2.gz ZEHPNRSVZSOEJR-CYBMUJFWSA-N 2 0 270.442 2.675 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCc2csc(C(C)C)n2)C1 ZINC000343951303 220279086 /nfs/dbraw/zinc/27/90/86/220279086.db2.gz MODKJNCBJJYOHH-GXTWGEPZSA-N 2 0 281.469 2.739 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)cnn2C)CC1 ZINC000347652124 381278054 /nfs/dbraw/zinc/27/80/54/381278054.db2.gz PYLYEEJLOZWDCM-UHFFFAOYSA-N 2 0 292.471 2.672 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCn2ccnc21 ZINC000296161375 381282376 /nfs/dbraw/zinc/28/23/76/381282376.db2.gz XHZWWCWLTGLWBF-OAHLLOKOSA-N 2 0 295.390 2.666 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cs1 ZINC000296166902 381283921 /nfs/dbraw/zinc/28/39/21/381283921.db2.gz WXXWJTVWNZLFNG-CABCVRRESA-N 2 0 264.438 2.973 20 0 CFADRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C(C)C ZINC000290171689 381328580 /nfs/dbraw/zinc/32/85/80/381328580.db2.gz DUDPNLGKSWNGSI-INIZCTEOSA-N 2 0 293.455 2.936 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000342442808 381333561 /nfs/dbraw/zinc/33/35/61/381333561.db2.gz MFDIWZSUNUPYCP-ZBFHGGJFSA-N 2 0 291.439 2.690 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183880792 381333928 /nfs/dbraw/zinc/33/39/28/381333928.db2.gz AJPFTHZDHQPQNO-ZDUSSCGKSA-N 2 0 284.444 2.569 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000183710106 381309614 /nfs/dbraw/zinc/30/96/14/381309614.db2.gz NAUTUGIVKNTWBS-LSDHHAIUSA-N 2 0 298.471 2.818 20 0 CFADRP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369964504 381357136 /nfs/dbraw/zinc/35/71/36/381357136.db2.gz UJCHPJRQOUWTPK-XAXOSQJESA-N 2 0 280.456 2.822 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000347804197 381357788 /nfs/dbraw/zinc/35/77/88/381357788.db2.gz ZHPRFYVULMDTKS-OWCLPIDISA-N 2 0 282.472 2.590 20 0 CFADRP CN(C)Cc1cnc(C[N@H+](C)CC2CCCC2)s1 ZINC000347842355 381373798 /nfs/dbraw/zinc/37/37/98/381373798.db2.gz HWBOIPYIQAPMHE-UHFFFAOYSA-N 2 0 267.442 2.827 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296395225 381376239 /nfs/dbraw/zinc/37/62/39/381376239.db2.gz LFQJQDIECIEAKD-CHWSQXEVSA-N 2 0 282.378 3.000 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000296467950 381407639 /nfs/dbraw/zinc/40/76/39/381407639.db2.gz NPFXYMODLORGBR-BFYDXBDKSA-N 2 0 275.440 2.641 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000359431393 381409149 /nfs/dbraw/zinc/40/91/49/381409149.db2.gz GJEDVMCJQNXSIF-OAHLLOKOSA-N 2 0 281.403 2.671 20 0 CFADRP Cn1cc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)C)cn1 ZINC000342559026 381396441 /nfs/dbraw/zinc/39/64/41/381396441.db2.gz FJDUFKWHRLMTTH-JYJNAYRXSA-N 2 0 290.455 2.724 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)[C@@H](C)C1 ZINC000354675673 381398669 /nfs/dbraw/zinc/39/86/69/381398669.db2.gz OUFPASKRGRUAFC-BHYGNILZSA-N 2 0 282.472 2.590 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000359417353 381403031 /nfs/dbraw/zinc/40/30/31/381403031.db2.gz JTKMRVZLQVHTMJ-MRXNPFEDSA-N 2 0 291.439 2.855 20 0 CFADRP Cc1ccc(F)c(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290494792 381450221 /nfs/dbraw/zinc/45/02/21/381450221.db2.gz OTWJSVHWVCYPMT-XJKSGUPXSA-N 2 0 264.388 2.906 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000290450676 381433300 /nfs/dbraw/zinc/43/33/00/381433300.db2.gz WBBOLDAPAOYFDO-WMLDXEAASA-N 2 0 276.424 2.571 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2ccccc2)CC1 ZINC000290450663 381433656 /nfs/dbraw/zinc/43/36/56/381433656.db2.gz WBBOLDAPAOYFDO-PBHICJAKSA-N 2 0 276.424 2.571 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2ccccc2)CC1 ZINC000290450671 381433971 /nfs/dbraw/zinc/43/39/71/381433971.db2.gz WBBOLDAPAOYFDO-RHSMWYFYSA-N 2 0 276.424 2.571 20 0 CFADRP Cc1cc(NCC[NH+]2CCCC2)c2cc(F)ccc2[nH+]1 ZINC000359505249 381438964 /nfs/dbraw/zinc/43/89/64/381438964.db2.gz FSXMOEOLESOYJT-UHFFFAOYSA-N 2 0 273.355 2.612 20 0 CFADRP CCC1CC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000342684988 381479081 /nfs/dbraw/zinc/47/90/81/381479081.db2.gz CVLZGKSJQUPYHF-FXQLRMTLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCC2(C)C)C[C@H](C)O1 ZINC000342692442 381482425 /nfs/dbraw/zinc/48/24/25/381482425.db2.gz YTMAQEXORIRSPM-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccs2)C1 ZINC000290530971 381467734 /nfs/dbraw/zinc/46/77/34/381467734.db2.gz QRVADGPFTYWLNB-GXTWGEPZSA-N 2 0 250.411 2.664 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1ccnc1C ZINC000348322847 381506914 /nfs/dbraw/zinc/50/69/14/381506914.db2.gz VWVQHEJSFDLDBV-DLBZAZTESA-N 2 0 292.471 2.682 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000348323887 381508735 /nfs/dbraw/zinc/50/87/35/381508735.db2.gz SXTSKJHIELJJDM-IAGOWNOFSA-N 2 0 292.471 2.763 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359615970 381509600 /nfs/dbraw/zinc/50/96/00/381509600.db2.gz ASUNIVRTUQPCBO-SJLPKXTDSA-N 2 0 289.467 2.833 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348340746 381518250 /nfs/dbraw/zinc/51/82/50/381518250.db2.gz XMQNHZAPWYEWSK-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)ccc1F ZINC000290580459 381487713 /nfs/dbraw/zinc/48/77/13/381487713.db2.gz UNEZYOOXSRFIGO-CZUORRHYSA-N 2 0 264.388 2.906 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000348304685 381491087 /nfs/dbraw/zinc/49/10/87/381491087.db2.gz OEWKCIBNHYILBT-CQDKDKBSSA-N 2 0 298.377 2.931 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000348304687 381492204 /nfs/dbraw/zinc/49/22/04/381492204.db2.gz OEWKCIBNHYILBT-GLQYFDAESA-N 2 0 298.377 2.931 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000354862621 381493361 /nfs/dbraw/zinc/49/33/61/381493361.db2.gz IGDMWQCKGMHEFX-DLBZAZTESA-N 2 0 282.472 2.735 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)O ZINC000348306666 381495906 /nfs/dbraw/zinc/49/59/06/381495906.db2.gz ZJLBTBRUEXGMAL-HUUCEWRRSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000290610947 381497368 /nfs/dbraw/zinc/49/73/68/381497368.db2.gz WNAHSPGFMYJBPV-PBHICJAKSA-N 2 0 286.419 2.734 20 0 CFADRP Clc1ccccc1O[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000296726161 381521481 /nfs/dbraw/zinc/52/14/81/381521481.db2.gz BZGCYEGKRKLOHP-CQSZACIVSA-N 2 0 294.826 2.793 20 0 CFADRP C[N@H+](CCC1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258539 381578182 /nfs/dbraw/zinc/57/81/82/381578182.db2.gz AYEYRKUILDFOMJ-GOSISDBHSA-N 2 0 293.499 2.667 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000414315227 381580093 /nfs/dbraw/zinc/58/00/93/381580093.db2.gz RQUIMRBHULKTKP-RKVQBDSKSA-N 2 0 268.445 2.510 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2COC2)cc1 ZINC000371274134 381580794 /nfs/dbraw/zinc/58/07/94/381580794.db2.gz CFTBSVQRZBQCIL-UHFFFAOYSA-N 2 0 296.414 2.904 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000185196971 381560476 /nfs/dbraw/zinc/56/04/76/381560476.db2.gz UPUTZNRYVLIPHM-IMJJTQAJSA-N 2 0 280.456 2.652 20 0 CFADRP Cc1ccoc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297461775 381561570 /nfs/dbraw/zinc/56/15/70/381561570.db2.gz QFULPCFAVKSGRJ-UHFFFAOYSA-N 2 0 271.364 2.742 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414817817 381607650 /nfs/dbraw/zinc/60/76/50/381607650.db2.gz TXSQKZVPWFGCFI-VIBAHUMZSA-N 3 0 287.451 2.717 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000414690271 381599945 /nfs/dbraw/zinc/59/99/45/381599945.db2.gz AATHPDQCPXWQLJ-GDBMZVCRSA-N 2 0 268.445 2.783 20 0 CFADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414748468 381602549 /nfs/dbraw/zinc/60/25/49/381602549.db2.gz WOVPQWMKANMYAS-WBTNSWJXSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CC1([NH3+])CCCCC1 ZINC000414845713 381607090 /nfs/dbraw/zinc/60/70/90/381607090.db2.gz RMCWBFDUEWYVDI-SNVBAGLBSA-N 2 0 252.324 2.969 20 0 CFADRP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414823945 381607307 /nfs/dbraw/zinc/60/73/07/381607307.db2.gz FGMYJFYGZZDKDL-SNVBAGLBSA-N 2 0 290.304 2.934 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414841407 381607464 /nfs/dbraw/zinc/60/74/64/381607464.db2.gz NYLPVRFNSIMZMP-HOTGVXAUSA-N 2 0 260.425 2.905 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414846265 381608317 /nfs/dbraw/zinc/60/83/17/381608317.db2.gz UMJJUGCLKVYXRB-NUEKZKHPSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414875916 381609948 /nfs/dbraw/zinc/60/99/48/381609948.db2.gz KNOABVXLMBTWEU-GHMZBOCLSA-N 2 0 274.330 2.821 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](Cc3cc[nH]c3)CC2)CC1 ZINC000371391737 381611941 /nfs/dbraw/zinc/61/19/41/381611941.db2.gz FLZVAPFEVLWSGE-UHFFFAOYSA-N 2 0 275.440 2.959 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000414925493 381613724 /nfs/dbraw/zinc/61/37/24/381613724.db2.gz LVRDYDQYVRHRKE-QWRGUYRKSA-N 2 0 288.313 2.787 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@H](C)C1 ZINC000414925148 381614218 /nfs/dbraw/zinc/61/42/18/381614218.db2.gz JIQRKJZKICZAJW-JEBQAFNWSA-N 2 0 287.451 2.966 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000414925494 381616410 /nfs/dbraw/zinc/61/64/10/381616410.db2.gz LVRDYDQYVRHRKE-WDEREUQCSA-N 2 0 288.313 2.787 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928975 381617556 /nfs/dbraw/zinc/61/75/56/381617556.db2.gz QVQHKSNDSHOZRD-YUELXQCFSA-N 2 0 290.407 2.596 20 0 CFADRP CCCOc1cccc(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000414929943 381620089 /nfs/dbraw/zinc/62/00/89/381620089.db2.gz AENFMTYKPVQHLI-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000342929920 381620556 /nfs/dbraw/zinc/62/05/56/381620556.db2.gz SJULIADCXNKNNO-YHUYYLMFSA-N 2 0 268.445 2.606 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414930714 381620653 /nfs/dbraw/zinc/62/06/53/381620653.db2.gz TYMSXULHEIEPKV-GJZGRUSLSA-N 2 0 262.397 2.835 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414930890 381620674 /nfs/dbraw/zinc/62/06/74/381620674.db2.gz BKLQAOQMLCYLMT-XJKCOSOUSA-N 2 0 264.388 2.734 20 0 CFADRP CC1([NH2+]Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000414933297 381622463 /nfs/dbraw/zinc/62/24/63/381622463.db2.gz DOFODNXBOTYRNL-UHFFFAOYSA-N 2 0 272.314 2.937 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414931958 381622849 /nfs/dbraw/zinc/62/28/49/381622849.db2.gz CDIGLBYRQOUSOY-BGTYHANMSA-N 2 0 272.436 2.985 20 0 CFADRP COCCCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371419702 381623406 /nfs/dbraw/zinc/62/34/06/381623406.db2.gz WEVUKFVLCMDAFH-OAHLLOKOSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1Br ZINC000414941850 381633992 /nfs/dbraw/zinc/63/39/92/381633992.db2.gz MDBBFUHTVKHTKP-UHFFFAOYSA-N 2 0 297.240 2.989 20 0 CFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000371468394 381634636 /nfs/dbraw/zinc/63/46/36/381634636.db2.gz AQKWXDBKKCWCFS-FVQBIDKESA-N 2 0 294.464 2.740 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414947604 381637927 /nfs/dbraw/zinc/63/79/27/381637927.db2.gz KXMXYLOUWZKMCE-HIFRSBDPSA-N 2 0 262.397 2.706 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414954746 381647404 /nfs/dbraw/zinc/64/74/04/381647404.db2.gz KSHNEPHRZJNUFF-INMHGKMJSA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414956591 381649170 /nfs/dbraw/zinc/64/91/70/381649170.db2.gz NOUNHUMWMKYESZ-RHSMWYFYSA-N 2 0 276.424 2.809 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCc2cccc(F)c2)CCC[NH2+]1 ZINC000414947743 381639106 /nfs/dbraw/zinc/63/91/06/381639106.db2.gz VXHDQCSKBMOKQR-WMLDXEAASA-N 2 0 294.414 2.505 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414950340 381641105 /nfs/dbraw/zinc/64/11/05/381641105.db2.gz OLMCRSWYGURBPV-INMHGKMJSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[NH2+]1 ZINC000414949576 381641172 /nfs/dbraw/zinc/64/11/72/381641172.db2.gz NTBGOIHFAJXIKV-KBXCAEBGSA-N 2 0 281.403 2.979 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1(C)CC1 ZINC000355142613 381641239 /nfs/dbraw/zinc/64/12/39/381641239.db2.gz YDTKEVQABXTJAP-UHFFFAOYSA-N 2 0 270.380 2.856 20 0 CFADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC[NH2+]1 ZINC000414950916 381642932 /nfs/dbraw/zinc/64/29/32/381642932.db2.gz PENCDFHJCSCWQC-IDCNUPLLSA-N 2 0 293.499 2.760 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCc2cccc(C)c2)CCC[NH2+]1 ZINC000414952922 381644433 /nfs/dbraw/zinc/64/44/33/381644433.db2.gz IUUBZLYYHXBWHK-SJLPKXTDSA-N 2 0 290.451 2.674 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000414963604 381659808 /nfs/dbraw/zinc/65/98/08/381659808.db2.gz LATLCOWQLCJBDT-IAGOWNOFSA-N 2 0 288.435 2.674 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CCCC[NH+](C)C ZINC000279542356 194472767 /nfs/dbraw/zinc/47/27/67/194472767.db2.gz ALZAEDAYDWHICV-UHFFFAOYSA-N 2 0 286.423 2.612 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)sc2C1 ZINC000414963908 381660493 /nfs/dbraw/zinc/66/04/93/381660493.db2.gz DKEWOCKIEWJQAL-OLZOCXBDSA-N 2 0 293.480 2.890 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000414963907 381660690 /nfs/dbraw/zinc/66/06/90/381660690.db2.gz DKEWOCKIEWJQAL-CHWSQXEVSA-N 2 0 293.480 2.890 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414965263 381662199 /nfs/dbraw/zinc/66/21/99/381662199.db2.gz FGNBFMURMCBENE-ABCZVMIZSA-N 2 0 280.362 2.956 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000355186150 381663373 /nfs/dbraw/zinc/66/33/73/381663373.db2.gz ZJOOFSRQNLDNHT-MSOLQXFVSA-N 2 0 288.435 2.525 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC000414967251 381663997 /nfs/dbraw/zinc/66/39/97/381663997.db2.gz HFQQIRDDNQXSGX-MRXNPFEDSA-N 2 0 258.409 2.653 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414968273 381665411 /nfs/dbraw/zinc/66/54/11/381665411.db2.gz YKDBCKDENHXUOD-RDTXWAMCSA-N 2 0 281.403 2.836 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414970089 381665443 /nfs/dbraw/zinc/66/54/43/381665443.db2.gz UICKYHZBLYNMMS-INIZCTEOSA-N 2 0 298.434 2.803 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414969986 381665672 /nfs/dbraw/zinc/66/56/72/381665672.db2.gz ZRILSPDWCOTNSX-ZWNOBZJWSA-N 2 0 288.313 2.673 20 0 CFADRP FC1(F)Oc2cccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)c2O1 ZINC000414970292 381665891 /nfs/dbraw/zinc/66/58/91/381665891.db2.gz UOSATNXPHSIAEW-LBPRGKRZSA-N 2 0 298.333 2.630 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414974607 381669292 /nfs/dbraw/zinc/66/92/92/381669292.db2.gz NTFIWISSHZABHE-OAHLLOKOSA-N 2 0 262.397 2.625 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414975115 381669699 /nfs/dbraw/zinc/66/96/99/381669699.db2.gz OHVRMMOWTHHKJG-ZBFHGGJFSA-N 2 0 276.424 2.748 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414975543 381670772 /nfs/dbraw/zinc/67/07/72/381670772.db2.gz OSRCEBZWYUFNDY-JHBSALDVSA-N 2 0 262.372 2.961 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414975805 381671390 /nfs/dbraw/zinc/67/13/90/381671390.db2.gz HBIOJESXTAQXTN-BBRMVZONSA-N 2 0 273.424 2.665 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414978994 381672873 /nfs/dbraw/zinc/67/28/73/381672873.db2.gz NAMGFNREFRUGIZ-ZWNOBZJWSA-N 2 0 285.229 2.880 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000414957989 381651377 /nfs/dbraw/zinc/65/13/77/381651377.db2.gz CHPVVMGHAIILAV-YOEHRIQHSA-N 2 0 275.440 2.978 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414957635 381652122 /nfs/dbraw/zinc/65/21/22/381652122.db2.gz WEYPITWWCJBAFF-GZBFAFLISA-N 2 0 264.388 2.877 20 0 CFADRP Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)n1 ZINC000415014445 381708491 /nfs/dbraw/zinc/70/84/91/381708491.db2.gz ZQGPYAWRSXYKJD-WMLDXEAASA-N 2 0 298.434 2.694 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000415015993 381709662 /nfs/dbraw/zinc/70/96/62/381709662.db2.gz ORXGPLFVHUBLCC-GFCCVEGCSA-N 2 0 290.386 2.823 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000343438493 381710897 /nfs/dbraw/zinc/71/08/97/381710897.db2.gz FLFZHTYMTKYKEA-FXUDXRNXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]C(C)(C)CCC[NH3+])sc2C1 ZINC000415018198 381712108 /nfs/dbraw/zinc/71/21/08/381712108.db2.gz TYNCAIDEPXBRQW-LLVKDONJSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(F)c2cccnc12 ZINC000415021299 381714766 /nfs/dbraw/zinc/71/47/66/381714766.db2.gz YGANVOMHUPUDAH-LBPRGKRZSA-N 2 0 275.371 2.981 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414980908 381675541 /nfs/dbraw/zinc/67/55/41/381675541.db2.gz XGWHJIKSRDMJII-ZDUSSCGKSA-N 2 0 284.350 2.910 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414981484 381675649 /nfs/dbraw/zinc/67/56/49/381675649.db2.gz XRMYCWFDWUIRQO-KRWDZBQOSA-N 2 0 288.435 2.532 20 0 CFADRP CCc1nc(C)cc(N[C@H](c2ncc[nH]2)C(C)C)n1 ZINC000291131349 381676547 /nfs/dbraw/zinc/67/65/47/381676547.db2.gz NCXCPHCHMYULAV-ZDUSSCGKSA-N 2 0 259.357 2.880 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414984256 381678748 /nfs/dbraw/zinc/67/87/48/381678748.db2.gz ACBSZSRGCDWETA-WCQYABFASA-N 2 0 282.815 2.956 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000414985842 381679227 /nfs/dbraw/zinc/67/92/27/381679227.db2.gz BPDWXGBIKNKKLL-OCCSQVGLSA-N 2 0 252.789 2.947 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414987377 381681324 /nfs/dbraw/zinc/68/13/24/381681324.db2.gz DQYJZFJRRZMCGF-DGCLKSJQSA-N 2 0 282.815 2.956 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000414990709 381684890 /nfs/dbraw/zinc/68/48/90/381684890.db2.gz IZOYAJXYHXTWCB-GXSJLCMTSA-N 2 0 272.314 2.711 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414995577 381686907 /nfs/dbraw/zinc/68/69/07/381686907.db2.gz NNPVRZIXZASVJZ-ZYHUDNBSSA-N 2 0 265.426 2.628 20 0 CFADRP Cc1ccsc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355220362 381687726 /nfs/dbraw/zinc/68/77/26/381687726.db2.gz KVRCXCYVRDBHDV-SOUVJXGZSA-N 2 0 294.464 2.740 20 0 CFADRP COc1ccc(C)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000355218338 381687754 /nfs/dbraw/zinc/68/77/54/381687754.db2.gz HSHVOBNMFULTJD-WBVHZDCISA-N 2 0 288.435 2.920 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000415022984 381716752 /nfs/dbraw/zinc/71/67/52/381716752.db2.gz JZKHMEXMRAYTDR-HDJSIYSDSA-N 2 0 299.418 2.795 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000415001033 381693370 /nfs/dbraw/zinc/69/33/70/381693370.db2.gz UMJIBDAYCMVOMJ-BBRMVZONSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc3c2OC(F)(F)O3)C1 ZINC000415004571 381696878 /nfs/dbraw/zinc/69/68/78/381696878.db2.gz OIPAJOLVAADOFN-ZYHUDNBSSA-N 2 0 298.333 2.615 20 0 CFADRP CC(C)c1cnc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415003639 381697090 /nfs/dbraw/zinc/69/70/90/381697090.db2.gz NKSNVJOXLPGLIA-NWDGAFQWSA-N 2 0 267.442 2.874 20 0 CFADRP COC1(C[NH2+]Cc2cccc(Cn3ccnc3)c2)CCCC1 ZINC000359957307 381697832 /nfs/dbraw/zinc/69/78/32/381697832.db2.gz HONWLNPZYGZWEF-UHFFFAOYSA-N 2 0 299.418 2.980 20 0 CFADRP COC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371791592 381701728 /nfs/dbraw/zinc/70/17/28/381701728.db2.gz AKUMXCBYDAUZKU-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000415008808 381702585 /nfs/dbraw/zinc/70/25/85/381702585.db2.gz NDLJKKCSOJIYLI-DZGCQCFKSA-N 2 0 282.790 2.957 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359969389 381703723 /nfs/dbraw/zinc/70/37/23/381703723.db2.gz HKSNPBKJSGDSJS-RHSMWYFYSA-N 2 0 270.420 2.834 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000415013775 381707673 /nfs/dbraw/zinc/70/76/73/381707673.db2.gz KXXZNGGTPCNZPB-CABCVRRESA-N 2 0 291.439 2.819 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000415041082 381729080 /nfs/dbraw/zinc/72/90/80/381729080.db2.gz PNMLQFDMMZSRHF-MFKMUULPSA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000415042798 381730153 /nfs/dbraw/zinc/73/01/53/381730153.db2.gz RFCPEMWBZBGTSO-PBHICJAKSA-N 2 0 281.403 2.966 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000415042872 381730684 /nfs/dbraw/zinc/73/06/84/381730684.db2.gz RJJRMJPEJKYPTH-PWSUYJOCSA-N 2 0 268.788 2.566 20 0 CFADRP CCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000371984803 381730924 /nfs/dbraw/zinc/73/09/24/381730924.db2.gz PBDAQCNUFRSEMT-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415046841 381732216 /nfs/dbraw/zinc/73/22/16/381732216.db2.gz VJUUIJZMLMBSQI-VXGBXAGGSA-N 2 0 270.323 2.505 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415044486 381733470 /nfs/dbraw/zinc/73/34/70/381733470.db2.gz STAMFNJSTRHKNO-GMTAPVOTSA-N 2 0 252.324 2.825 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415058665 381744056 /nfs/dbraw/zinc/74/40/56/381744056.db2.gz UHVWYYKZHJBLJL-SFHVURJKSA-N 3 0 289.467 2.931 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415064384 381749137 /nfs/dbraw/zinc/74/91/37/381749137.db2.gz CKWNOZCHGJWXMM-JSGCOSHPSA-N 2 0 252.427 2.801 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCC[NH2+]C2CC2)C1 ZINC000415067999 381753583 /nfs/dbraw/zinc/75/35/83/381753583.db2.gz LXDPRPYGBJMBGS-ZYHUDNBSSA-N 2 0 264.335 2.839 20 0 CFADRP c1ccc(-c2cccc(C[NH2+]CCC[NH2+]C3CC3)c2)nc1 ZINC000415068325 381753793 /nfs/dbraw/zinc/75/37/93/381753793.db2.gz MOLNQZHZWADMDR-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000415069943 381755553 /nfs/dbraw/zinc/75/55/53/381755553.db2.gz PREOHLWVDLOTKL-NJAFHUGGSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H](CN[C@@H](C)c1cscn1)C[NH+]1CCCC1 ZINC000162371213 322363953 /nfs/dbraw/zinc/36/39/53/322363953.db2.gz HBMGWBJPXLDDPV-NEPJUHHUSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000360060213 381756345 /nfs/dbraw/zinc/75/63/45/381756345.db2.gz SRAYAECWYIKCSE-APWZRJJASA-N 2 0 299.462 2.673 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)CCC[NH3+] ZINC000415025815 381718261 /nfs/dbraw/zinc/71/82/61/381718261.db2.gz RTPVGFDHFBKAMK-QWHCGFSZSA-N 2 0 252.377 2.864 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415024668 381718306 /nfs/dbraw/zinc/71/83/06/381718306.db2.gz PIABPCMFFAMSQO-ZDUSSCGKSA-N 2 0 250.386 2.691 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000415027185 381719485 /nfs/dbraw/zinc/71/94/85/381719485.db2.gz VTWXZGXGQZXJMI-MPGHIAIKSA-N 2 0 272.436 2.899 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028113 381719518 /nfs/dbraw/zinc/71/95/18/381719518.db2.gz XXHHKUAZNRJUOK-HDJSIYSDSA-N 2 0 264.388 2.989 20 0 CFADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1SC ZINC000415028016 381720020 /nfs/dbraw/zinc/72/00/20/381720020.db2.gz XTGZGWRRNIVDTO-LLVKDONJSA-N 2 0 268.426 2.634 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415027049 381720166 /nfs/dbraw/zinc/72/01/66/381720166.db2.gz VTKFHGLCJZTJFY-AWEZNQCLSA-N 2 0 264.413 2.938 20 0 CFADRP CCSCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743913 381721020 /nfs/dbraw/zinc/72/10/20/381721020.db2.gz HRRVCBQMTIXNCR-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000415029008 381721797 /nfs/dbraw/zinc/72/17/97/381721797.db2.gz ZRRUCLQOPIJWIF-GXTWGEPZSA-N 2 0 270.367 2.970 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415031176 381722972 /nfs/dbraw/zinc/72/29/72/381722972.db2.gz GPETUCGMKZGHEG-ZBFHGGJFSA-N 2 0 276.424 2.938 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000415035041 381724215 /nfs/dbraw/zinc/72/42/15/381724215.db2.gz KJWUGOVHIXXQAO-DGCLKSJQSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038519 381725716 /nfs/dbraw/zinc/72/57/16/381725716.db2.gz HWLPPFIHYQIOSU-IRXDYDNUSA-N 2 0 258.409 2.959 20 0 CFADRP CCOCc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415102087 381781456 /nfs/dbraw/zinc/78/14/56/381781456.db2.gz JFYKEOMYNVOTFT-UHFFFAOYSA-N 2 0 276.424 2.830 20 0 CFADRP Cc1cc(CC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc(C)c1O ZINC000415107324 381784786 /nfs/dbraw/zinc/78/47/86/381784786.db2.gz OOONKGFEZZUFEC-HOCLYGCPSA-N 2 0 276.424 2.672 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000415108846 381786487 /nfs/dbraw/zinc/78/64/87/381786487.db2.gz PGOBCXPJZONJGK-XJKSGUPXSA-N 3 0 293.430 2.508 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000372294969 381786775 /nfs/dbraw/zinc/78/67/75/381786775.db2.gz MGNGHFQRKMUDTB-IAGOWNOFSA-N 2 0 280.456 2.752 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1F ZINC000372297959 381787323 /nfs/dbraw/zinc/78/73/23/381787323.db2.gz LPEOGYVVKJIJAB-CYBMUJFWSA-N 2 0 289.354 2.557 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415119293 381790380 /nfs/dbraw/zinc/79/03/80/381790380.db2.gz KKVWFGIWRSUCJU-GJZGRUSLSA-N 2 0 292.423 2.584 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1F ZINC000415074487 381761219 /nfs/dbraw/zinc/76/12/19/381761219.db2.gz AEYAVFGTHFSYNM-OCCSQVGLSA-N 2 0 250.361 2.612 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H](C)Cc1cccs1 ZINC000415078192 381763341 /nfs/dbraw/zinc/76/33/41/381763341.db2.gz FWVIOZCNQYULGJ-OLZOCXBDSA-N 2 0 254.443 2.890 20 0 CFADRP C[C@@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)Cc1cccs1 ZINC000415079479 381765339 /nfs/dbraw/zinc/76/53/39/381765339.db2.gz IAQIIZLJUYYGHB-TZMCWYRMSA-N 2 0 252.427 2.516 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000415079377 381765476 /nfs/dbraw/zinc/76/54/76/381765476.db2.gz JZYVHMLOOSSKQG-BMFZPTHFSA-N 2 0 258.409 2.837 20 0 CFADRP FC(F)(F)c1ccccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000415079039 381766087 /nfs/dbraw/zinc/76/60/87/381766087.db2.gz JPBUMQJSBUPFAF-UHFFFAOYSA-N 2 0 272.314 2.590 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130980 381799248 /nfs/dbraw/zinc/79/92/48/381799248.db2.gz YFTRCJJDYCHFKW-JKSUJKDBSA-N 2 0 268.445 2.641 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415082853 381767299 /nfs/dbraw/zinc/76/72/99/381767299.db2.gz OYTBPLKMFVTHDT-NWDGAFQWSA-N 2 0 282.815 2.826 20 0 CFADRP COc1ccc(CCC[NH2+]C[C@@H]([NH3+])CC(C)C)cc1OC ZINC000415081545 381767774 /nfs/dbraw/zinc/76/77/74/381767774.db2.gz KRXZYILDAWXQEC-HNNXBMFYSA-N 2 0 294.439 2.599 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccnc1 ZINC000415083681 381769797 /nfs/dbraw/zinc/76/97/97/381769797.db2.gz NLGSXYLEYYXFEG-BFYDXBDKSA-N 2 0 275.440 2.799 20 0 CFADRP FC(F)(F)c1ccccc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415085731 381771135 /nfs/dbraw/zinc/77/11/35/381771135.db2.gz TVQXEMDAABBMBR-CYBMUJFWSA-N 2 0 286.341 2.980 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415129960 381799464 /nfs/dbraw/zinc/79/94/64/381799464.db2.gz VUYIWPSDODJFSN-HOTGVXAUSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CCc2cccc(Cl)c2)CC[NH2+]1 ZINC000415085079 381771983 /nfs/dbraw/zinc/77/19/83/381771983.db2.gz HVOLMNLYHGQDBU-OCCSQVGLSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415088264 381772957 /nfs/dbraw/zinc/77/29/57/381772957.db2.gz WAEYULSXALAEMJ-WBVHZDCISA-N 2 0 298.434 2.535 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CCCc1cccc(F)c1 ZINC000415086674 381773002 /nfs/dbraw/zinc/77/30/02/381773002.db2.gz JZDGNIKSZYINKI-HNNXBMFYSA-N 2 0 252.377 2.721 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000415086928 381773360 /nfs/dbraw/zinc/77/33/60/381773360.db2.gz VJRGGTGUHNNQON-YESZJQIVSA-N 2 0 258.409 2.739 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC1CC[NH+](CC)CC1 ZINC000360247357 381773619 /nfs/dbraw/zinc/77/36/19/381773619.db2.gz ZWZGKWSEWUVVGK-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCCc1cccc(F)c1 ZINC000415088525 381774995 /nfs/dbraw/zinc/77/49/95/381774995.db2.gz MDVSWALFPZRWSF-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP [NH3+]C1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000415089111 381775884 /nfs/dbraw/zinc/77/58/84/381775884.db2.gz MRRXQGPBKKLMNO-UHFFFAOYSA-N 2 0 252.789 2.742 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000415090877 381776971 /nfs/dbraw/zinc/77/69/71/381776971.db2.gz PNYIVTASEXKLNE-FRRDWIJNSA-N 2 0 280.387 2.873 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc1F ZINC000415091859 381777919 /nfs/dbraw/zinc/77/79/19/381777919.db2.gz RLFMAMIEGYLKOJ-TZMCWYRMSA-N 2 0 280.387 2.845 20 0 CFADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000415095046 381779563 /nfs/dbraw/zinc/77/95/63/381779563.db2.gz YRYDXUWKYYSLTJ-KCXAZCMYSA-N 2 0 296.361 2.527 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C/c3ccncc3)C2)CC1 ZINC000349181827 381840656 /nfs/dbraw/zinc/84/06/56/381840656.db2.gz FMRAXZUYLHEGNH-ZMUQKWFASA-N 2 0 285.435 2.759 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361322687 381819928 /nfs/dbraw/zinc/81/99/28/381819928.db2.gz YOJBIXNFVXLNSX-RYQLBKOJSA-N 2 0 294.483 2.732 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000356419976 381850624 /nfs/dbraw/zinc/85/06/24/381850624.db2.gz NVCUBYVRKIJEBI-JKSUJKDBSA-N 2 0 297.487 2.534 20 0 CFADRP CCCC[C@@H](CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349317692 381886530 /nfs/dbraw/zinc/88/65/30/381886530.db2.gz ANUMIEWQPOTWBO-HZPDHXFCSA-N 2 0 269.477 2.571 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186601635 381962566 /nfs/dbraw/zinc/96/25/66/381962566.db2.gz UJHHESHMJNDVGM-KEYYUXOJSA-N 2 0 290.451 2.732 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)CCO1 ZINC000356983896 381943861 /nfs/dbraw/zinc/94/38/61/381943861.db2.gz WVAUZZMTHYPWRZ-QBPKDAKJSA-N 2 0 282.472 2.854 20 0 CFADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1nc3ccccc3o1)C2 ZINC000373203514 381946849 /nfs/dbraw/zinc/94/68/49/381946849.db2.gz QESRFIMYUDMNNY-OLZOCXBDSA-N 2 0 296.374 2.998 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOCCC(C)C)C[C@H]1C ZINC000362184203 381948731 /nfs/dbraw/zinc/94/87/31/381948731.db2.gz RUVNYFIOKOXFJS-CVEARBPZSA-N 2 0 270.461 2.854 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000356992614 381948745 /nfs/dbraw/zinc/94/87/45/381948745.db2.gz NDZWFYWFFHHPEX-OKZBNKHCSA-N 2 0 294.483 2.999 20 0 CFADRP CCCC(CCC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186583732 381954835 /nfs/dbraw/zinc/95/48/35/381954835.db2.gz PWGJIJBSQHHLEJ-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1cccc([C@H]2CCCC[N@@H+]2CCOCC[NH3+])c1C ZINC000357069122 381996040 /nfs/dbraw/zinc/99/60/40/381996040.db2.gz HGKSSOOLINDNKW-QGZVFWFLSA-N 2 0 276.424 2.806 20 0 CFADRP Fc1ccccc1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357087359 382003066 /nfs/dbraw/zinc/00/30/66/382003066.db2.gz NEVWGHAEEOHVHA-HNNXBMFYSA-N 2 0 292.398 2.526 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000350265988 382010361 /nfs/dbraw/zinc/01/03/61/382010361.db2.gz LXHKIVZWZVMNAF-HOTGVXAUSA-N 2 0 270.461 2.761 20 0 CFADRP CCOc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357041805 381983567 /nfs/dbraw/zinc/98/35/67/381983567.db2.gz DFOIJKYTYKHNNG-MRXNPFEDSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357042555 381983992 /nfs/dbraw/zinc/98/39/92/381983992.db2.gz FDPULJICURBSMD-OAHLLOKOSA-N 2 0 276.399 2.956 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000349693285 381985582 /nfs/dbraw/zinc/98/55/82/381985582.db2.gz MWEOQTRQSXXLDT-KRWDZBQOSA-N 2 0 294.414 2.761 20 0 CFADRP c1ccc(OCCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357065949 381994264 /nfs/dbraw/zinc/99/42/64/381994264.db2.gz AUNLNRJVMISLBT-QGZVFWFLSA-N 2 0 288.435 2.777 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)[C@@H](C)C1 ZINC000417332269 382043802 /nfs/dbraw/zinc/04/38/02/382043802.db2.gz DARKXXKGMGXBIM-XHSDSOJGSA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343975812 382044716 /nfs/dbraw/zinc/04/47/16/382044716.db2.gz HBYZZDBBEROZPY-KGLIPLIRSA-N 2 0 279.428 2.546 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000293281132 382060959 /nfs/dbraw/zinc/06/09/59/382060959.db2.gz ODLAVCDTFXFGGD-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP CCOc1ccc(C[N@H+](C)CCCn2ccnc2)cc1 ZINC000357137826 382023810 /nfs/dbraw/zinc/02/38/10/382023810.db2.gz YDOXMWFDQWUSCM-UHFFFAOYSA-N 2 0 273.380 2.804 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302915 382034468 /nfs/dbraw/zinc/03/44/68/382034468.db2.gz CEKJQMBGZZUSRE-QLFBSQMISA-N 2 0 296.480 2.798 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000293231212 382040511 /nfs/dbraw/zinc/04/05/11/382040511.db2.gz AVINMQFTZZULKE-BBRMVZONSA-N 2 0 276.424 2.860 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+]([C@H]2CCOC2)CC1 ZINC000374256606 382040809 /nfs/dbraw/zinc/04/08/09/382040809.db2.gz ACFXXDZMDQDGRX-MSOLQXFVSA-N 2 0 288.435 2.762 20 0 CFADRP Cc1[nH+]ccc(NC[C@@H](c2ccco2)[NH+](C)C)c1Cl ZINC000357321051 382105500 /nfs/dbraw/zinc/10/55/00/382105500.db2.gz FHILNHDPYRDXGA-LBPRGKRZSA-N 2 0 279.771 2.773 20 0 CFADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC000375892254 382110714 /nfs/dbraw/zinc/11/07/14/382110714.db2.gz UHEPLJRYFQWTKF-MRXNPFEDSA-N 2 0 281.488 2.523 20 0 CFADRP OCC[N@@H+](Cc1cccc2nccn21)CC1CCCCC1 ZINC000362527867 382128561 /nfs/dbraw/zinc/12/85/61/382128561.db2.gz GSINTSNFIBLTIE-UHFFFAOYSA-N 2 0 287.407 2.709 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCSCC1 ZINC000186993594 382071632 /nfs/dbraw/zinc/07/16/32/382071632.db2.gz ABSBTMWZTNYZJI-CHWSQXEVSA-N 2 0 268.470 2.592 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(C(C)C)C(C)C)C2)CC1 ZINC000375302658 382079870 /nfs/dbraw/zinc/07/98/70/382079870.db2.gz MMNNIXVJRRWOCG-QGZVFWFLSA-N 2 0 295.515 2.626 20 0 CFADRP CCOC1CC(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000352011301 382126780 /nfs/dbraw/zinc/12/67/80/382126780.db2.gz BBTBWMLAHWMWIW-YHNBSYBMSA-N 2 0 268.445 2.606 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293349170 382087854 /nfs/dbraw/zinc/08/78/54/382087854.db2.gz GWKAJUMACFROGV-KBPBESRZSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000376546683 382141857 /nfs/dbraw/zinc/14/18/57/382141857.db2.gz DLQVZZQOGVHAIT-HYVNUMGLSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2n1 ZINC000187285983 382146680 /nfs/dbraw/zinc/14/66/80/382146680.db2.gz GJXPLDGPRULJCV-INIZCTEOSA-N 2 0 283.419 2.927 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000376595661 382153921 /nfs/dbraw/zinc/15/39/21/382153921.db2.gz POJFNASRHNLELF-ZACQAIPSSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000344154813 382164271 /nfs/dbraw/zinc/16/42/71/382164271.db2.gz ZGOBEQIMGUGMAC-UHFFFAOYSA-N 2 0 270.380 2.998 20 0 CFADRP Cc1cc(NCC[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000302223922 382219461 /nfs/dbraw/zinc/21/94/61/382219461.db2.gz PVXRFIHLUAFVGN-UHFFFAOYSA-N 2 0 267.376 2.860 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCC2(CC2)CC1 ZINC000362928083 382222508 /nfs/dbraw/zinc/22/25/08/382222508.db2.gz ONTNFKXESKWMLK-INIZCTEOSA-N 2 0 280.456 2.536 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](OC)[C@H](C)CC)CC1 ZINC000362977087 382224249 /nfs/dbraw/zinc/22/42/49/382224249.db2.gz ONAAIGINOVQEHM-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000377142952 382225644 /nfs/dbraw/zinc/22/56/44/382225644.db2.gz QWKLVZYCKNAGHS-HNNXBMFYSA-N 2 0 278.444 2.629 20 0 CFADRP Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)cc[nH+]1 ZINC000357694018 382281707 /nfs/dbraw/zinc/28/17/07/382281707.db2.gz GCIGMUJOJXYCPC-UHFFFAOYSA-N 2 0 269.392 2.528 20 0 CFADRP Cc1cn2c(n1)CC[C@@H]([NH2+]CC1=Cc3ccccc3OC1)C2 ZINC000377513215 382282140 /nfs/dbraw/zinc/28/21/40/382282140.db2.gz XIYBYNBPSZSVHZ-MRXNPFEDSA-N 2 0 295.386 2.572 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000187887640 382288090 /nfs/dbraw/zinc/28/80/90/382288090.db2.gz LDPHHHRJJALKSA-BGTYHANMSA-N 2 0 294.483 2.923 20 0 CFADRP c1ccc2c(c1)CC1(CC[N@@H+](CCC[NH+]3CCCC3)C1)C2 ZINC000377234940 382239591 /nfs/dbraw/zinc/23/95/91/382239591.db2.gz BIJQXXXMSCAKKL-UHFFFAOYSA-N 2 0 284.447 2.963 20 0 CFADRP C[N@H+](C[C@@H]1CCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000302413795 382248421 /nfs/dbraw/zinc/24/84/21/382248421.db2.gz KZNJYBZQACRYRS-FKJOKYEKSA-N 2 0 258.356 2.637 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccsc1 ZINC000187702022 382251125 /nfs/dbraw/zinc/25/11/25/382251125.db2.gz UMKABEVZBAFBQE-GOEBONIOSA-N 2 0 295.496 2.815 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000344292080 382254733 /nfs/dbraw/zinc/25/47/33/382254733.db2.gz DXWYOZSPUDHQAP-IBGZPJMESA-N 2 0 299.462 2.503 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344291705 382254950 /nfs/dbraw/zinc/25/49/50/382254950.db2.gz DFUIUOTUOYPBRJ-CQSZACIVSA-N 2 0 274.408 2.998 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000302497016 382258386 /nfs/dbraw/zinc/25/83/86/382258386.db2.gz SXTAGFVDSYBPGY-CYBMUJFWSA-N 2 0 260.372 2.743 20 0 CFADRP Cn1nccc1-c1ccccc1C[NH2+]CCCC[NH+](C)C ZINC000352274090 382258375 /nfs/dbraw/zinc/25/83/75/382258375.db2.gz RWDIGXKSAYTBLB-UHFFFAOYSA-N 2 0 286.423 2.519 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000680351465 542310636 /nfs/dbraw/zinc/31/06/36/542310636.db2.gz WLODZFPHTBSHFT-GOEBONIOSA-N 2 0 294.439 2.547 20 0 CFADRP Cc1ccncc1CCC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000377619871 382303619 /nfs/dbraw/zinc/30/36/19/382303619.db2.gz CXVPWLLPDYAEAM-UHFFFAOYSA-N 2 0 287.451 2.929 20 0 CFADRP CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(C(F)(F)F)cn1 ZINC000420291933 382344130 /nfs/dbraw/zinc/34/41/30/382344130.db2.gz OPOWKLHUCLMKKF-CYBMUJFWSA-N 2 0 289.345 2.906 20 0 CFADRP CSc1ccccc1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420291884 382344304 /nfs/dbraw/zinc/34/43/04/382344304.db2.gz OGTCGZOILCWRIN-OCCSQVGLSA-N 2 0 264.438 2.968 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377641983 382309321 /nfs/dbraw/zinc/30/93/21/382309321.db2.gz DWKSUOSYNOYSKY-INIZCTEOSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@H+](Cc1cccc(O)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377699413 382323758 /nfs/dbraw/zinc/32/37/58/382323758.db2.gz MFNFXRZTULEUCR-UHFFFAOYSA-N 2 0 297.402 2.888 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000357842289 382345657 /nfs/dbraw/zinc/34/56/57/382345657.db2.gz AKJRCAHOCSMUCN-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000188063563 382336642 /nfs/dbraw/zinc/33/66/42/382336642.db2.gz GPNQBUFPBVVFRI-AVRGHOLYSA-N 2 0 292.398 2.968 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@]2(CCCCO2)C1 ZINC000364619950 382341021 /nfs/dbraw/zinc/34/10/21/382341021.db2.gz SJCNCWHBBFHQOT-DLBZAZTESA-N 2 0 280.456 2.896 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@](C)(O)c2ccccc2)CC1 ZINC000187908124 382292879 /nfs/dbraw/zinc/29/28/79/382292879.db2.gz WCVBZQVHNZEHSD-SFHVURJKSA-N 2 0 290.451 2.747 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@@H]12 ZINC000420298966 382349731 /nfs/dbraw/zinc/34/97/31/382349731.db2.gz ANKZAFDMBPKZHE-JVLSTEMRSA-N 2 0 298.789 2.527 20 0 CFADRP Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1cc(C)on1)CCC2 ZINC000377818066 382352300 /nfs/dbraw/zinc/35/23/00/382352300.db2.gz XNCVWJPUSGJSMF-OLZOCXBDSA-N 2 0 274.368 2.716 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420303431 382353151 /nfs/dbraw/zinc/35/31/51/382353151.db2.gz KIEHBNAQGFLWSX-RYUDHWBXSA-N 2 0 268.351 2.957 20 0 CFADRP CSc1ccccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420304153 382353192 /nfs/dbraw/zinc/35/31/92/382353192.db2.gz DKVBLZPOUAPXFK-AWEZNQCLSA-N 2 0 264.438 2.982 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420305917 382356502 /nfs/dbraw/zinc/35/65/02/382356502.db2.gz KSDARQBKQWMOLX-RYUDHWBXSA-N 2 0 250.411 2.578 20 0 CFADRP CC[N@@H+](Cc1ccccn1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420308632 382357474 /nfs/dbraw/zinc/35/74/74/382357474.db2.gz DCDCMXRGXSRYTA-INIZCTEOSA-N 2 0 299.418 2.655 20 0 CFADRP COCCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420313197 382360227 /nfs/dbraw/zinc/36/02/27/382360227.db2.gz PIMPEDMWRUZVMH-ROUUACIJSA-N 2 0 290.451 2.695 20 0 CFADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420314068 382361911 /nfs/dbraw/zinc/36/19/11/382361911.db2.gz YPDYJJAAOYRUBU-FVQBIDKESA-N 2 0 276.424 2.858 20 0 CFADRP CCc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000420315138 382362114 /nfs/dbraw/zinc/36/21/14/382362114.db2.gz KWBWPXGFDPOLAJ-SJPCQFCGSA-N 2 0 258.409 2.964 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC(C)(C)C)cc1 ZINC000420317083 382363797 /nfs/dbraw/zinc/36/37/97/382363797.db2.gz MZMJWJBFJUOPNX-CQSZACIVSA-N 2 0 264.413 2.715 20 0 CFADRP c1sc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1C1CC1 ZINC000420319810 382366502 /nfs/dbraw/zinc/36/65/02/382366502.db2.gz ANVVCNRBXMVMLJ-KBPBESRZSA-N 2 0 291.464 2.842 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2C(C)C)cc1 ZINC000420319464 382367260 /nfs/dbraw/zinc/36/72/60/382367260.db2.gz POIQVLABCVUTEK-WBVHZDCISA-N 2 0 276.424 2.858 20 0 CFADRP Cc1csc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCCC2)n1 ZINC000420319829 382367319 /nfs/dbraw/zinc/36/73/19/382367319.db2.gz PPLZRLWBNCIEIR-ZDUSSCGKSA-N 2 0 279.453 2.810 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cs1 ZINC000420322285 382368964 /nfs/dbraw/zinc/36/89/64/382368964.db2.gz SJPVVOLIAVSRGF-JSGCOSHPSA-N 2 0 250.411 2.885 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000420322509 382369239 /nfs/dbraw/zinc/36/92/39/382369239.db2.gz SPBHFDVVLCUMPR-GFCCVEGCSA-N 2 0 267.442 2.666 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420326461 382371830 /nfs/dbraw/zinc/37/18/30/382371830.db2.gz XLICABIGJJNTQK-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP CCc1noc(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334250 382372725 /nfs/dbraw/zinc/37/27/25/382372725.db2.gz IXOFMLHSZGLMDS-MRXNPFEDSA-N 2 0 277.412 2.509 20 0 CFADRP CCc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420329446 382373778 /nfs/dbraw/zinc/37/37/78/382373778.db2.gz GWKQPYARNBFQES-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP C(CC1CCCC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420337270 382375007 /nfs/dbraw/zinc/37/50/07/382375007.db2.gz MZZBYQZVFXRHCP-IYBDPMFKSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420341636 382375054 /nfs/dbraw/zinc/37/50/54/382375054.db2.gz VJANXNBPPVFNPP-CVEARBPZSA-N 2 0 294.464 2.509 20 0 CFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338525 382375492 /nfs/dbraw/zinc/37/54/92/382375492.db2.gz RRXPWQQJLUWWAY-JLZZUVOBSA-N 2 0 292.398 2.715 20 0 CFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339046 382375562 /nfs/dbraw/zinc/37/55/62/382375562.db2.gz LPIRWUXYGIFUEL-HUUCEWRRSA-N 2 0 292.398 2.526 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CCCC2)CC12CCOCC2 ZINC000420338933 382375880 /nfs/dbraw/zinc/37/58/80/382375880.db2.gz YIEPMCOPUCUFCA-MRXNPFEDSA-N 2 0 280.456 2.644 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420399355 382397685 /nfs/dbraw/zinc/39/76/85/382397685.db2.gz NZENXHIFENNAEA-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP c1cncc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420352304 382379330 /nfs/dbraw/zinc/37/93/30/382379330.db2.gz ABDIDJQQCVYPBO-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415033758 296329336 /nfs/dbraw/zinc/32/93/36/296329336.db2.gz JHQDJHNNACWIHR-ATLSCFEFSA-N 3 0 293.499 2.747 20 0 CFADRP Clc1ccc([C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420363212 382385862 /nfs/dbraw/zinc/38/58/62/382385862.db2.gz BJZSQYRLSHFVSR-NHYWBVRUSA-N 2 0 264.800 2.990 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420397015 382398423 /nfs/dbraw/zinc/39/84/23/382398423.db2.gz FSUCLASWICTVGW-VXGBXAGGSA-N 2 0 280.416 2.568 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000420373976 382391393 /nfs/dbraw/zinc/39/13/93/382391393.db2.gz ZTYLXLHXZXGKDT-AWEZNQCLSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000358090765 382448767 /nfs/dbraw/zinc/44/87/67/382448767.db2.gz UISMEKDYTFWIAC-WFASDCNBSA-N 2 0 282.815 2.649 20 0 CFADRP CC(C)CCOc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000346628873 382443557 /nfs/dbraw/zinc/44/35/57/382443557.db2.gz AVWFYBWEBNSHRK-OAHLLOKOSA-N 2 0 262.397 2.645 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+](C)C ZINC000188360956 382399073 /nfs/dbraw/zinc/39/90/73/382399073.db2.gz YBLFOHBZRQMIAD-INIZCTEOSA-N 2 0 291.439 2.807 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420405830 382400288 /nfs/dbraw/zinc/40/02/88/382400288.db2.gz MZHMMXXNAIULQX-GHMZBOCLSA-N 2 0 288.313 2.845 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420411561 382401472 /nfs/dbraw/zinc/40/14/72/382401472.db2.gz RVQNWFFGJWSKQR-FRFSOERESA-N 2 0 276.424 2.906 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420408758 382401828 /nfs/dbraw/zinc/40/18/28/382401828.db2.gz PUFXHQMKWFNQEM-ZBFHGGJFSA-N 2 0 276.424 2.545 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H]1CCC=CO1)CC2)C1CC1 ZINC000365801022 382446459 /nfs/dbraw/zinc/44/64/59/382446459.db2.gz ZUTFFANKLDSIAX-WBVHZDCISA-N 2 0 290.451 2.875 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000346633457 382446616 /nfs/dbraw/zinc/44/66/16/382446616.db2.gz DTWKVQMGKROPHI-ZFWWWQNUSA-N 2 0 284.407 2.554 20 0 CFADRP Cc1ccccc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000378182473 382413564 /nfs/dbraw/zinc/41/35/64/382413564.db2.gz IUDNYYFZQAYNRB-DLBZAZTESA-N 2 0 258.409 2.911 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000358026829 382416663 /nfs/dbraw/zinc/41/66/63/382416663.db2.gz VGXFLKIGDKZYQO-DOMZBBRYSA-N 2 0 282.815 2.649 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346684204 382471283 /nfs/dbraw/zinc/47/12/83/382471283.db2.gz RKADRMODFNZOMZ-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000346641241 382450518 /nfs/dbraw/zinc/45/05/18/382450518.db2.gz BJYOFLZZHZMAIQ-KBPBESRZSA-N 2 0 297.468 2.800 20 0 CFADRP CSC1(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000306057654 382451208 /nfs/dbraw/zinc/45/12/08/382451208.db2.gz VKKBVSKDULXCRR-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nccn3C)c2)CC[N@@H+]1C ZINC000378393487 382454191 /nfs/dbraw/zinc/45/41/91/382454191.db2.gz VYIOEYWXTYUOPU-WMLDXEAASA-N 3 0 298.434 2.659 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]CC2(C)COC2)c1 ZINC000352783959 382471742 /nfs/dbraw/zinc/47/17/42/382471742.db2.gz ZIVKHLMDRDQFEN-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP CC(C)C1CCC(C[NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000352722437 382458991 /nfs/dbraw/zinc/45/89/91/382458991.db2.gz CLULMKMBTJOAGP-UHFFFAOYSA-N 2 0 296.499 2.885 20 0 CFADRP C[NH2+]C[C@H]1CCCN1Cc1cccc(-c2ccccn2)c1 ZINC000346662429 382460010 /nfs/dbraw/zinc/46/00/10/382460010.db2.gz BWWFZFGQHPMBHV-QGZVFWFLSA-N 2 0 281.403 2.932 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346670099 382463713 /nfs/dbraw/zinc/46/37/13/382463713.db2.gz JNOAQWWHRLLDPL-CJNGLKHVSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000346679371 382467689 /nfs/dbraw/zinc/46/76/89/382467689.db2.gz MLDCEJOYDIESCF-QWHCGFSZSA-N 2 0 287.432 2.979 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000346679499 382468140 /nfs/dbraw/zinc/46/81/40/382468140.db2.gz NDDQCCYQNVBROF-ZBFHGGJFSA-N 2 0 281.403 2.918 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000346677946 382468181 /nfs/dbraw/zinc/46/81/81/382468181.db2.gz LEDGAHKUMZZPDV-OAHLLOKOSA-N 2 0 287.407 2.746 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000346691447 382474250 /nfs/dbraw/zinc/47/42/50/382474250.db2.gz VTHUJFNOJYSFQN-ZBFHGGJFSA-N 2 0 281.403 2.918 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OCC ZINC000346693210 382475968 /nfs/dbraw/zinc/47/59/68/382475968.db2.gz LLTJNYILRRUDEC-UHFFFAOYSA-N 2 0 294.439 2.901 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000346691948 382476569 /nfs/dbraw/zinc/47/65/69/382476569.db2.gz WUQHMIWBENQRHL-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000188797261 382478728 /nfs/dbraw/zinc/47/87/28/382478728.db2.gz JKOLFGLSJNKDGF-KZNAEPCWSA-N 2 0 288.435 2.808 20 0 CFADRP CCOc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OC ZINC000346695152 382480247 /nfs/dbraw/zinc/48/02/47/382480247.db2.gz YOIACAPQWCOKKX-HNNXBMFYSA-N 2 0 294.439 2.899 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000378551823 382481162 /nfs/dbraw/zinc/48/11/62/382481162.db2.gz PFPMYQBHXQJLNS-QLFBSQMISA-N 2 0 280.456 2.512 20 0 CFADRP CCC[C@@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366209561 382485363 /nfs/dbraw/zinc/48/53/63/382485363.db2.gz LHANRYBZNPHYRS-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP Cc1cn2c(n1)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)CCC2 ZINC000366236921 382488595 /nfs/dbraw/zinc/48/85/95/382488595.db2.gz WHBDOFHYJQNCKQ-OAHLLOKOSA-N 2 0 290.455 2.531 20 0 CFADRP [NH3+]C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CCCO1 ZINC000313373230 382520796 /nfs/dbraw/zinc/52/07/96/382520796.db2.gz AVNGZWXKSIAHEJ-CQSZACIVSA-N 2 0 294.398 2.806 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]21 ZINC000381658380 382523589 /nfs/dbraw/zinc/52/35/89/382523589.db2.gz SATOSPYVFLSBET-DOJLCEGHSA-N 2 0 256.393 2.759 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC000358191862 382498291 /nfs/dbraw/zinc/49/82/91/382498291.db2.gz PGCGGUBCNIWQPT-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C[NH+](C)C ZINC000310835074 382499093 /nfs/dbraw/zinc/49/90/93/382499093.db2.gz JQOACEMCDIELHT-IAQYHMDHSA-N 2 0 266.816 2.595 20 0 CFADRP c1ccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346818201 382528064 /nfs/dbraw/zinc/52/80/64/382528064.db2.gz BDLNZOZNRQTDTB-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@]1(C)C[NH3+] ZINC000311762877 382507213 /nfs/dbraw/zinc/50/72/13/382507213.db2.gz ILAOITDIJWXBQX-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379621116 382507453 /nfs/dbraw/zinc/50/74/53/382507453.db2.gz FBKRBYVPBQMDDA-NUJGCVRESA-N 2 0 289.467 2.757 20 0 CFADRP COC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358211768 382507482 /nfs/dbraw/zinc/50/74/82/382507482.db2.gz ZPNXGHMFEHBWDZ-NVXWUHKLSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@@]1(C)C[NH3+] ZINC000379950051 382509015 /nfs/dbraw/zinc/50/90/15/382509015.db2.gz DQWBGXCFSDUKBG-IAQYHMDHSA-N 2 0 284.350 2.705 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc2ncccc12 ZINC000311799015 382509210 /nfs/dbraw/zinc/50/92/10/382509210.db2.gz GTSFAKBLTOMHPL-MRXNPFEDSA-N 2 0 257.381 2.698 20 0 CFADRP Fc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cn1 ZINC000188960555 382512563 /nfs/dbraw/zinc/51/25/63/382512563.db2.gz PYVWUEGJQKZPKO-UHFFFAOYSA-N 2 0 299.393 2.975 20 0 CFADRP CC(C)(C)c1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000380342948 382513798 /nfs/dbraw/zinc/51/37/98/382513798.db2.gz WBCPWTGECHQCJE-BETUJISGSA-N 2 0 293.480 2.872 20 0 CFADRP CC[N@H+](Cc1c[nH]nc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289430409 197344189 /nfs/dbraw/zinc/34/41/89/197344189.db2.gz KPOJYBMFXLVVQR-UHFFFAOYSA-N 2 0 286.423 2.802 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc2n[nH]cc2c1 ZINC000353179009 382514888 /nfs/dbraw/zinc/51/48/88/382514888.db2.gz YGGLDUCSDLJCKA-WFASDCNBSA-N 2 0 272.396 2.698 20 0 CFADRP Fc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(F)c1F ZINC000312788694 382517425 /nfs/dbraw/zinc/51/74/25/382517425.db2.gz IQVVEHYJWVUWOJ-TXEJJXNPSA-N 2 0 284.325 2.535 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)[C@@H](C)O1 ZINC000294649029 382519173 /nfs/dbraw/zinc/51/91/73/382519173.db2.gz BPWGKQKJNZNOQZ-XYVMCAHJSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366492073 382519778 /nfs/dbraw/zinc/51/97/78/382519778.db2.gz UCXZCZDQSDBMBD-SJLPKXTDSA-N 2 0 272.436 2.893 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]12 ZINC000346843515 382540831 /nfs/dbraw/zinc/54/08/31/382540831.db2.gz JODNLWFTOGJHPD-IPMKNSEASA-N 2 0 293.414 2.918 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383412130 382543098 /nfs/dbraw/zinc/54/30/98/382543098.db2.gz JLMHBNDZBLLSHW-SOLBZPMBSA-N 2 0 270.420 2.995 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000353431178 382544419 /nfs/dbraw/zinc/54/44/19/382544419.db2.gz LEVAJZULUDFVPY-OWCLPIDISA-N 2 0 297.487 2.532 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000328046322 382545662 /nfs/dbraw/zinc/54/56/62/382545662.db2.gz OJGYTBHZWIMVAB-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353439363 382547325 /nfs/dbraw/zinc/54/73/25/382547325.db2.gz WVIJABOJXSQNLQ-BBWFWOEESA-N 2 0 258.409 2.957 20 0 CFADRP c1ccc(COC[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000384117402 382548078 /nfs/dbraw/zinc/54/80/78/382548078.db2.gz FBUWQFKFAWWKLE-SJLPKXTDSA-N 2 0 288.435 2.525 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189128927 382551147 /nfs/dbraw/zinc/55/11/47/382551147.db2.gz YLQZGQFKMFZXPP-DOTOQJQBSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNc1ccccc1F ZINC000346870289 382553310 /nfs/dbraw/zinc/55/33/10/382553310.db2.gz UHNLPRAPOAEIPC-CKEIUWERSA-N 2 0 293.430 2.946 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000353524071 382557178 /nfs/dbraw/zinc/55/71/78/382557178.db2.gz ZQLGDPGKQJYSKK-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C(C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000385350321 382570258 /nfs/dbraw/zinc/57/02/58/382570258.db2.gz BZBNJZLCCKRNND-CQSZACIVSA-N 2 0 252.446 2.989 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)C1(C)C ZINC000367439821 382570930 /nfs/dbraw/zinc/57/09/30/382570930.db2.gz XINYYSGCOVESQK-UONOGXRCSA-N 2 0 277.412 2.513 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000358341399 382577667 /nfs/dbraw/zinc/57/76/67/382577667.db2.gz NLRYNKHKXQIHMZ-FGTMMUONSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(-c4cccnc4)c3)C[C@H]12 ZINC000346823578 382529986 /nfs/dbraw/zinc/52/99/86/382529986.db2.gz FGUPOXLOCAZPTP-CEXWTWQISA-N 2 0 293.414 2.918 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346823816 382530107 /nfs/dbraw/zinc/53/01/07/382530107.db2.gz FVHDWSCPPSMJSZ-NWANDNLSSA-N 2 0 293.480 2.901 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCC12CCCC2)N1CC[NH+](C)CC1 ZINC000189058662 382533504 /nfs/dbraw/zinc/53/35/04/382533504.db2.gz PKSGMUJXOBJSPD-IAGOWNOFSA-N 2 0 293.499 2.571 20 0 CFADRP CN1CC[C@@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C1 ZINC000358260686 382534096 /nfs/dbraw/zinc/53/40/96/382534096.db2.gz VPXDBMNCXZGZDN-SJLPKXTDSA-N 2 0 290.451 2.820 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000358262489 382535239 /nfs/dbraw/zinc/53/52/39/382535239.db2.gz YZBKODXEQJEKAE-XJKSGUPXSA-N 2 0 296.842 2.786 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346838892 382537586 /nfs/dbraw/zinc/53/75/86/382537586.db2.gz RWMVPIPVRBBYTN-INIZCTEOSA-N 2 0 276.424 2.559 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]CC1CC[NH2+]CC1 ZINC000346964827 382589423 /nfs/dbraw/zinc/58/94/23/382589423.db2.gz BWVIQGFDXCNMLB-UHFFFAOYSA-N 2 0 262.397 2.520 20 0 CFADRP C[C@H](c1cccc2ccccc21)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397132109 382632974 /nfs/dbraw/zinc/63/29/74/382632974.db2.gz ZJYIHXGIBFBVRU-CQSZACIVSA-N 2 0 284.403 2.686 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](COCC)C(C)C)CC1 ZINC000189356512 382598600 /nfs/dbraw/zinc/59/86/00/382598600.db2.gz KAZUPKIZGHOAPC-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@](C)(OC)c2ccccc2)CC1 ZINC000387448931 382598832 /nfs/dbraw/zinc/59/88/32/382598832.db2.gz UHKZTMMXGCOYQZ-KRWDZBQOSA-N 2 0 276.424 2.622 20 0 CFADRP Fc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000189378955 382601203 /nfs/dbraw/zinc/60/12/03/382601203.db2.gz KMIMBYSWPDQWAZ-HNNXBMFYSA-N 2 0 277.387 2.671 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000388345057 382605912 /nfs/dbraw/zinc/60/59/12/382605912.db2.gz LOSYAYQYTOFCRZ-VRKREXBASA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCCOC1 ZINC000388738726 382609201 /nfs/dbraw/zinc/60/92/01/382609201.db2.gz IDHSPVRTXRQSKU-SHUKQUCYSA-N 2 0 260.381 2.536 20 0 CFADRP Fc1cccc(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389023904 382610098 /nfs/dbraw/zinc/61/00/98/382610098.db2.gz BSURNUGBLQSXCS-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP CCC(CC)(CCO)[NH2+]CCN(C)Cc1ccccc1 ZINC000295321335 382616166 /nfs/dbraw/zinc/61/61/66/382616166.db2.gz LSYXKQCZOWNRIC-UHFFFAOYSA-N 2 0 278.440 2.649 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000389934591 382617265 /nfs/dbraw/zinc/61/72/65/382617265.db2.gz LHPUKHFHTUHUTQ-JFIYKMOQSA-N 2 0 290.451 2.960 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000392233405 382621946 /nfs/dbraw/zinc/62/19/46/382621946.db2.gz BZXIVWFRLZDSRI-UHFFFAOYSA-N 2 0 267.376 2.586 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396415208 382631135 /nfs/dbraw/zinc/63/11/35/382631135.db2.gz JWIGJKJFGWKOBX-UHFFFAOYSA-N 2 0 296.377 2.542 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367615794 382578227 /nfs/dbraw/zinc/57/82/27/382578227.db2.gz MEUUPUBPUYJNNC-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000386149904 382583157 /nfs/dbraw/zinc/58/31/57/382583157.db2.gz RYORKHQBAWLKJG-NVXWUHKLSA-N 2 0 275.440 2.633 20 0 CFADRP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000386149902 382583222 /nfs/dbraw/zinc/58/32/22/382583222.db2.gz RYORKHQBAWLKJG-DOTOQJQBSA-N 2 0 275.440 2.633 20 0 CFADRP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000190602583 382674953 /nfs/dbraw/zinc/67/49/53/382674953.db2.gz XXIFLFJVNHCXQM-SJLPKXTDSA-N 2 0 294.483 2.735 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)C1 ZINC000191185456 382695023 /nfs/dbraw/zinc/69/50/23/382695023.db2.gz TUMFYRPDQOYSFU-ZFWWWQNUSA-N 2 0 278.444 2.765 20 0 CFADRP C[C@H](CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[NH+]1CCCCC1 ZINC000194171212 382736921 /nfs/dbraw/zinc/73/69/21/382736921.db2.gz MURLPWBLHMVKMI-WCXIOVBPSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000193130853 382716220 /nfs/dbraw/zinc/71/62/20/382716220.db2.gz GQVTWVWTEOJOCF-WBVHZDCISA-N 2 0 295.515 2.674 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CC2 ZINC000092836867 184630979 /nfs/dbraw/zinc/63/09/79/184630979.db2.gz MGEIJXKRHQAJBL-WBMJQRKESA-N 2 0 262.397 2.612 20 0 CFADRP CO[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193333795 382718783 /nfs/dbraw/zinc/71/87/83/382718783.db2.gz ZHAGUVOYIFRAIF-MIGBEJBISA-N 2 0 288.435 2.807 20 0 CFADRP C=Cn1cc(C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)cn1 ZINC000193694204 382722969 /nfs/dbraw/zinc/72/29/69/382722969.db2.gz FTOFPOGTNJTKFN-UHFFFAOYSA-N 2 0 290.455 2.928 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000336827353 382724479 /nfs/dbraw/zinc/72/44/79/382724479.db2.gz CHGGZMSLKAAMAW-CVEARBPZSA-N 2 0 280.456 2.608 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c(OC)c1 ZINC000336832804 382727006 /nfs/dbraw/zinc/72/70/06/382727006.db2.gz FTEIOZFWVRNSCO-OLZOCXBDSA-N 2 0 280.412 2.872 20 0 CFADRP c1ccc(CSCC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000193901552 382728704 /nfs/dbraw/zinc/72/87/04/382728704.db2.gz WVYBKLXPQGCBEP-INIZCTEOSA-N 2 0 290.476 2.994 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc(F)c1F)C1CC1 ZINC000575217060 382732283 /nfs/dbraw/zinc/73/22/83/382732283.db2.gz AVBGCYNHHKAMLM-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000337134990 382765981 /nfs/dbraw/zinc/76/59/81/382765981.db2.gz MCOLKXDJWYEKIR-HOTGVXAUSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000337199242 382775115 /nfs/dbraw/zinc/77/51/15/382775115.db2.gz YPFIZHJPUYJGGH-HNNXBMFYSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)CC2(C)C)CC1 ZINC000337211152 382778140 /nfs/dbraw/zinc/77/81/40/382778140.db2.gz DHNKNJKOVFXEOT-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000337239999 382783396 /nfs/dbraw/zinc/78/33/96/382783396.db2.gz DWRRMHGPQFKVQG-HNNXBMFYSA-N 2 0 270.461 2.998 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CCOC1(C)C)C1CCCCC1 ZINC000336890245 382738060 /nfs/dbraw/zinc/73/80/60/382738060.db2.gz HEQYCDVOVYUZFM-OAHLLOKOSA-N 2 0 268.445 2.798 20 0 CFADRP C=Cn1cc(C[NH2+][C@H](C)CCC[NH+](CC)CC)cn1 ZINC000194340293 382740813 /nfs/dbraw/zinc/74/08/13/382740813.db2.gz ANZSLQXVTVAHRU-CQSZACIVSA-N 2 0 264.417 2.584 20 0 CFADRP C[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000194449540 382744306 /nfs/dbraw/zinc/74/43/06/382744306.db2.gz HMUQNWQKISUWGR-SJLPKXTDSA-N 2 0 290.451 2.617 20 0 CFADRP CC(C)CCOCC[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337084518 382759234 /nfs/dbraw/zinc/75/92/34/382759234.db2.gz YSRJIGQCVNCKKS-ZWKOTPCHSA-N 2 0 290.451 2.723 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Cl)c1 ZINC000219307502 382793237 /nfs/dbraw/zinc/79/32/37/382793237.db2.gz DKSVMAZFGWBZOC-GFCCVEGCSA-N 2 0 270.804 2.569 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000220338003 382795930 /nfs/dbraw/zinc/79/59/30/382795930.db2.gz TUMYAZHODDIPCB-RYUDHWBXSA-N 2 0 252.789 2.818 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414915788 532959114 /nfs/dbraw/zinc/95/91/14/532959114.db2.gz NDBCSUXDKWAETI-CYBMUJFWSA-N 2 0 250.411 2.640 20 0 CFADRP C[C@H]1C[N@H+](CCCc2cncn2C)Cc2ccccc2O1 ZINC000575811671 382799982 /nfs/dbraw/zinc/79/99/82/382799982.db2.gz BZZMQZAYDQXLSY-AWEZNQCLSA-N 2 0 285.391 2.636 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000575914151 382803726 /nfs/dbraw/zinc/80/37/26/382803726.db2.gz IXRWREJLTBCHMC-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000337349125 382807700 /nfs/dbraw/zinc/80/77/00/382807700.db2.gz ZTAFGNNUWFBUEM-AWEZNQCLSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000576146612 382812062 /nfs/dbraw/zinc/81/20/62/382812062.db2.gz WNEQQAFCKIWPAJ-UONOGXRCSA-N 2 0 250.386 2.580 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000337381372 382812800 /nfs/dbraw/zinc/81/28/00/382812800.db2.gz DOAMSEBMHVWYPO-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000337404038 382815747 /nfs/dbraw/zinc/81/57/47/382815747.db2.gz SILREXDGAUFIIJ-FPCVCCKLSA-N 2 0 250.430 2.887 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000337406131 382816417 /nfs/dbraw/zinc/81/64/17/382816417.db2.gz SPMHAFYIZWLMHU-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)oc1C ZINC000337419028 382817500 /nfs/dbraw/zinc/81/75/00/382817500.db2.gz FBINAFJFONOMSG-CQSZACIVSA-N 2 0 293.455 2.573 20 0 CFADRP Cc1ncncc1[C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000576528187 382826010 /nfs/dbraw/zinc/82/60/10/382826010.db2.gz DFXQYQYPFXEDGO-ZFWWWQNUSA-N 2 0 278.444 2.802 20 0 CFADRP Cc1ncncc1[C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000576528178 382826242 /nfs/dbraw/zinc/82/62/42/382826242.db2.gz DFXQYQYPFXEDGO-DZGCQCFKSA-N 2 0 278.444 2.802 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cs1 ZINC000226326183 382826852 /nfs/dbraw/zinc/82/68/52/382826852.db2.gz GSFPPBAGGGABHV-GXTWGEPZSA-N 2 0 281.469 2.894 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000226434764 382828887 /nfs/dbraw/zinc/82/88/87/382828887.db2.gz AFTADNVAWBJKOD-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000576694686 382832329 /nfs/dbraw/zinc/83/23/29/382832329.db2.gz LGVPDBKJMRYGDS-GFCCVEGCSA-N 2 0 297.830 2.646 20 0 CFADRP C([NH2+]C1CCC(OC2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000576694584 382832459 /nfs/dbraw/zinc/83/24/59/382832459.db2.gz FJRBPJBCGPXDBA-UHFFFAOYSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCN1C ZINC000229549867 382851950 /nfs/dbraw/zinc/85/19/50/382851950.db2.gz CQAMMYHNWCAPAY-MNOVXSKESA-N 2 0 252.324 2.791 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000227498904 382837207 /nfs/dbraw/zinc/83/72/07/382837207.db2.gz UIYOQYBOOUCXTN-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000576992080 382843880 /nfs/dbraw/zinc/84/38/80/382843880.db2.gz DZSAFLXSACCZIL-IAGOWNOFSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)CN1CC[NH+](C)CC1 ZINC000577005767 382844916 /nfs/dbraw/zinc/84/49/16/382844916.db2.gz FDVJSFCPUHJJDC-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000494372165 382912283 /nfs/dbraw/zinc/91/22/83/382912283.db2.gz UMIRAXPWSYAMCY-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cncn2C)c1 ZINC000236666806 382904369 /nfs/dbraw/zinc/90/43/69/382904369.db2.gz GJANHURSJYKCEZ-UHFFFAOYSA-N 2 0 286.423 2.550 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]21 ZINC000230048999 382855282 /nfs/dbraw/zinc/85/52/82/382855282.db2.gz OYKGHVXNPZKDKN-HYVNUMGLSA-N 2 0 281.403 2.794 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000230211972 382857526 /nfs/dbraw/zinc/85/75/26/382857526.db2.gz CGAXTFFWBJKAND-HRCADAONSA-N 2 0 282.472 2.686 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C ZINC000494179228 382909394 /nfs/dbraw/zinc/90/93/94/382909394.db2.gz KWGAIUAUOOALND-UGUYLWEFSA-N 2 0 268.445 2.654 20 0 CFADRP CCCCC[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000577521577 382862113 /nfs/dbraw/zinc/86/21/13/382862113.db2.gz JHGQYIHSLSKKHE-GFCCVEGCSA-N 2 0 280.416 2.808 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000337764187 382862897 /nfs/dbraw/zinc/86/28/97/382862897.db2.gz RHCNJTBRHBVJPU-HNNXBMFYSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000577620806 382865002 /nfs/dbraw/zinc/86/50/02/382865002.db2.gz VINWXYFULICWQU-GALLPEHLSA-N 2 0 292.427 2.524 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000577681998 382867281 /nfs/dbraw/zinc/86/72/81/382867281.db2.gz KNWSJVOPEOAFHD-HIFRSBDPSA-N 2 0 290.455 2.546 20 0 CFADRP c1nc(C2CC2)sc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000577730045 382868605 /nfs/dbraw/zinc/86/86/05/382868605.db2.gz HZVDDWQCDKNGBN-OAHLLOKOSA-N 2 0 277.437 2.596 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000232916365 382870563 /nfs/dbraw/zinc/87/05/63/382870563.db2.gz QZVOBYWWYOTKCO-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578025697 382884724 /nfs/dbraw/zinc/88/47/24/382884724.db2.gz ASVHOLDHVODUAB-CWRNSKLLSA-N 2 0 296.842 2.930 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337984860 382888510 /nfs/dbraw/zinc/88/85/10/382888510.db2.gz CCIDAMISNZQCJO-CABCVRRESA-N 2 0 254.393 2.756 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337987525 382889155 /nfs/dbraw/zinc/88/91/55/382889155.db2.gz GIRPJTLEOMUJDB-IJEWVQPXSA-N 2 0 268.420 2.979 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000578132655 382894045 /nfs/dbraw/zinc/89/40/45/382894045.db2.gz QENZZWYMVINDPX-CYBMUJFWSA-N 2 0 258.365 2.849 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000494306513 382911616 /nfs/dbraw/zinc/91/16/16/382911616.db2.gz CVUOXSGTPAHUCV-HUUCEWRRSA-N 2 0 270.461 2.617 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccncc1Cl ZINC000421829619 382937539 /nfs/dbraw/zinc/93/75/39/382937539.db2.gz ABPKDSKTXRQPDH-LLVKDONJSA-N 2 0 265.788 2.648 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000236990234 382941197 /nfs/dbraw/zinc/94/11/97/382941197.db2.gz ASYZNDKDCGPMMH-CVEARBPZSA-N 2 0 297.487 2.522 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C/C=C/c2ccncc2)C1 ZINC000494939733 382944346 /nfs/dbraw/zinc/94/43/46/382944346.db2.gz RHCDSKQTTSEIRQ-LAQIPUCWSA-N 2 0 273.424 2.759 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422948524 532964099 /nfs/dbraw/zinc/96/40/99/532964099.db2.gz SDHJEALYXCDLMX-MNOVXSKESA-N 2 0 272.339 2.546 20 0 CFADRP Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000237037186 382946441 /nfs/dbraw/zinc/94/64/41/382946441.db2.gz ZBXPPQUETKMFOR-HIFRSBDPSA-N 2 0 289.423 2.513 20 0 CFADRP COC1([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000421857305 382950206 /nfs/dbraw/zinc/95/02/06/382950206.db2.gz PBJMKBNMNSPHTA-AVOUXACISA-N 2 0 266.429 2.549 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000442763500 382953210 /nfs/dbraw/zinc/95/32/10/382953210.db2.gz GSXVSMWFJOUOGC-JSGCOSHPSA-N 2 0 266.816 2.942 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000495060109 382956097 /nfs/dbraw/zinc/95/60/97/382956097.db2.gz PXZVDBSDWJEPKF-KEYYUXOJSA-N 2 0 273.424 2.932 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1O ZINC000421877733 382957470 /nfs/dbraw/zinc/95/74/70/382957470.db2.gz MGPZDVQOXBTAKM-GRTSSRMGSA-N 2 0 292.423 2.924 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000578845908 382960058 /nfs/dbraw/zinc/96/00/58/382960058.db2.gz OHPDNKQOEGZANX-GJZGRUSLSA-N 2 0 276.424 2.531 20 0 CFADRP COC1([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)CCCC1 ZINC000421806327 382929588 /nfs/dbraw/zinc/92/95/88/382929588.db2.gz YYODIHBYQQOADL-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCc1cccc(Cl)c1 ZINC000422936382 532965062 /nfs/dbraw/zinc/96/50/62/532965062.db2.gz BMHRWPKSTCGCRH-NEPJUHHUSA-N 2 0 254.805 2.988 20 0 CFADRP CSC[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753505 382978000 /nfs/dbraw/zinc/97/80/00/382978000.db2.gz IMFBIYQRKLAFMZ-BJJXKVORSA-N 2 0 292.448 2.583 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1COc2ccccc2C1 ZINC000422790073 382979024 /nfs/dbraw/zinc/97/90/24/382979024.db2.gz URDHWEOOXNJRHK-CJNGLKHVSA-N 2 0 297.402 2.503 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422788966 382979357 /nfs/dbraw/zinc/97/93/57/382979357.db2.gz WHCQAOJTZHZAKO-XYJFISCASA-N 2 0 289.467 2.757 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C12CCCC2 ZINC000422805341 382980297 /nfs/dbraw/zinc/98/02/97/382980297.db2.gz LYLNJSZKHZKQOE-YHUYYLMFSA-N 2 0 280.456 2.974 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422802036 382981372 /nfs/dbraw/zinc/98/13/72/382981372.db2.gz AQVNAONEZWZJKC-RRFJBIMHSA-N 2 0 256.434 2.687 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799903 382981471 /nfs/dbraw/zinc/98/14/71/382981471.db2.gz AGZVVSDCNNNARG-LVQVYYBASA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000422830581 382981712 /nfs/dbraw/zinc/98/17/12/382981712.db2.gz VTFORSUJRMWJOQ-YYIAUSFCSA-N 2 0 282.472 2.828 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000422831034 382981724 /nfs/dbraw/zinc/98/17/24/382981724.db2.gz SDKNBFUVIKFROB-KSZLIROESA-N 2 0 287.451 2.601 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422815971 382982468 /nfs/dbraw/zinc/98/24/68/382982468.db2.gz YVYCUMBOKUPCGH-GDBMZVCRSA-N 2 0 258.409 2.696 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000422817502 382982602 /nfs/dbraw/zinc/98/26/02/382982602.db2.gz DJEWQOCITPQLMO-UHFFFAOYSA-N 3 0 293.499 2.891 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422857151 382983183 /nfs/dbraw/zinc/98/31/83/382983183.db2.gz HBKNIRXZKJMSCW-XMTFNYHQSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000422841574 382983958 /nfs/dbraw/zinc/98/39/58/382983958.db2.gz DDMRDBHGBVEPLI-KZNAEPCWSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000422847016 382984311 /nfs/dbraw/zinc/98/43/11/382984311.db2.gz QSVCTJYAWDDKPP-OKZBNKHCSA-N 2 0 295.515 2.850 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCCS1 ZINC000422878439 382984856 /nfs/dbraw/zinc/98/48/56/382984856.db2.gz TTZCTMVIOIANBP-NUEKZKHPSA-N 2 0 278.465 2.820 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCCC1 ZINC000422883409 382984929 /nfs/dbraw/zinc/98/49/29/382984929.db2.gz BYNDUEYMVAQDAZ-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000422872987 382985675 /nfs/dbraw/zinc/98/56/75/382985675.db2.gz JKOHPLAOMIEQAD-ABAIWWIYSA-N 2 0 279.453 2.785 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422909338 382986819 /nfs/dbraw/zinc/98/68/19/382986819.db2.gz NUNKJNKLEUQRIV-JYJNAYRXSA-N 2 0 281.488 2.617 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422887759 382987229 /nfs/dbraw/zinc/98/72/29/382987229.db2.gz ZIKWUUVCMNSJIZ-IAGOWNOFSA-N 3 0 281.488 2.748 20 0 CFADRP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422921407 382988614 /nfs/dbraw/zinc/98/86/14/382988614.db2.gz OBYBJTCGLVTPSA-ZOBUZTSGSA-N 2 0 260.425 2.965 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000422950083 382989957 /nfs/dbraw/zinc/98/99/57/382989957.db2.gz VDXHOHTWZDIQOA-FZMZJTMJSA-N 2 0 266.360 2.756 20 0 CFADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1 ZINC000422973332 382990786 /nfs/dbraw/zinc/99/07/86/382990786.db2.gz BSBBULSCBUYMKX-WFFDWFOESA-N 2 0 287.451 2.996 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000338325588 382992100 /nfs/dbraw/zinc/99/21/00/382992100.db2.gz RIVKQEUTKLTDJA-MRXNPFEDSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Oc1ccccc1 ZINC000422977034 382992178 /nfs/dbraw/zinc/99/21/78/382992178.db2.gz FMDRSXJFKCUYKR-FVQBIDKESA-N 2 0 262.397 2.704 20 0 CFADRP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422976969 382992527 /nfs/dbraw/zinc/99/25/27/382992527.db2.gz FEOHTJDBNNFFNG-SUMWQHHRSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1 ZINC000422975650 382992577 /nfs/dbraw/zinc/99/25/77/382992577.db2.gz BRXFSCOTLAZDRA-FMKPAKJESA-N 2 0 262.397 2.561 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422975183 382992685 /nfs/dbraw/zinc/99/26/85/382992685.db2.gz BGJGCZYNIMLLSM-BZZMCLGOSA-N 2 0 288.435 2.964 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422974284 382992960 /nfs/dbraw/zinc/99/29/60/382992960.db2.gz QUDBUAGJLZCVDV-NKGKWGDASA-N 2 0 288.435 2.834 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1-n1ccnc1 ZINC000579225406 382993586 /nfs/dbraw/zinc/99/35/86/382993586.db2.gz IQEUOPUSINCFPI-JKSUJKDBSA-N 2 0 284.407 2.622 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024537 383017515 /nfs/dbraw/zinc/01/75/15/383017515.db2.gz LWGDYUAHNUULCI-KMUNFCNLSA-N 2 0 297.805 2.527 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422981215 382995744 /nfs/dbraw/zinc/99/57/44/382995744.db2.gz SGRRJJDTPIJMMJ-BRWVUGGUSA-N 2 0 276.424 2.750 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1Cc2ccccc2C1 ZINC000422984971 382996158 /nfs/dbraw/zinc/99/61/58/382996158.db2.gz ZTPRYBPUHSQNJN-YWZLYKJASA-N 2 0 294.442 2.950 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccccc2Cl)CC1)C1C[NH2+]C1 ZINC000423023087 383017758 /nfs/dbraw/zinc/01/77/58/383017758.db2.gz IWZQHEWSRSTSQE-NSHDSACASA-N 2 0 264.800 2.569 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000422990606 382998832 /nfs/dbraw/zinc/99/88/32/382998832.db2.gz NWPCCOXZXCSWCE-OIISXLGYSA-N 2 0 276.424 2.841 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)CC1CCCC1 ZINC000423025240 383017873 /nfs/dbraw/zinc/01/78/73/383017873.db2.gz NRYZZENHKOOIAH-OIISXLGYSA-N 2 0 282.472 2.828 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000422992000 383000048 /nfs/dbraw/zinc/00/00/48/383000048.db2.gz PJMGYNBYDQGUFS-MGWQBKBZSA-N 2 0 250.430 2.776 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccn(C3CCCC3)n2)CC1 ZINC000422993406 383000197 /nfs/dbraw/zinc/00/01/97/383000197.db2.gz STUDKSSKTBBKGK-UHFFFAOYSA-N 2 0 276.428 2.605 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000422992697 383000418 /nfs/dbraw/zinc/00/04/18/383000418.db2.gz QDLBWOCBFHGHPU-LRGVGNOESA-N 2 0 250.430 2.774 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422992048 383000523 /nfs/dbraw/zinc/00/05/23/383000523.db2.gz QNBAMOQIVMRNEF-AWEZNQCLSA-N 2 0 264.413 2.735 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000422996238 383001406 /nfs/dbraw/zinc/00/14/06/383001406.db2.gz SJHBDAMHLQFJAL-SOUVJXGZSA-N 2 0 291.464 2.814 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422997499 383002496 /nfs/dbraw/zinc/00/24/96/383002496.db2.gz BNGSBSYXYDDTMP-NEPJUHHUSA-N 2 0 270.804 2.572 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422999086 383003328 /nfs/dbraw/zinc/00/33/28/383003328.db2.gz DQRXACKBLKZYFM-CYBMUJFWSA-N 2 0 291.439 2.706 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c2ccccc2n1 ZINC000423003084 383005397 /nfs/dbraw/zinc/00/53/97/383005397.db2.gz GVTDPWMXWKUHQY-CZUORRHYSA-N 2 0 299.418 2.721 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2n1 ZINC000423003086 383005497 /nfs/dbraw/zinc/00/54/97/383005497.db2.gz GVTDPWMXWKUHQY-XJKSGUPXSA-N 2 0 299.418 2.721 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423002522 383005717 /nfs/dbraw/zinc/00/57/17/383005717.db2.gz ZCTHEWUMWLYMRR-IXDOHACOSA-N 2 0 281.488 2.747 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)nc1 ZINC000423002487 383006135 /nfs/dbraw/zinc/00/61/35/383006135.db2.gz ZARFSJZAVUJIDZ-KZNAEPCWSA-N 2 0 287.451 2.915 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423015291 383012864 /nfs/dbraw/zinc/01/28/64/383012864.db2.gz QRAYJKXNCGORPP-HYVNUMGLSA-N 2 0 275.440 2.539 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423016474 383013073 /nfs/dbraw/zinc/01/30/73/383013073.db2.gz SZTGVBCCPUIVMK-UKRRQHHQSA-N 2 0 296.842 2.998 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423017150 383013724 /nfs/dbraw/zinc/01/37/24/383013724.db2.gz VNRGQCSULPGKJS-LSDHHAIUSA-N 2 0 293.430 2.902 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423017668 383013784 /nfs/dbraw/zinc/01/37/84/383013784.db2.gz PGLUYQGJFFGZLZ-PBHICJAKSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423017428 383013999 /nfs/dbraw/zinc/01/39/99/383013999.db2.gz WLUWJIIHKRUNCR-ZNMIVQPWSA-N 2 0 286.423 2.708 20 0 CFADRP COC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423018673 383015370 /nfs/dbraw/zinc/01/53/70/383015370.db2.gz RSFNUEDHXMLQRV-ABAIWWIYSA-N 2 0 286.366 2.759 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423019817 383015423 /nfs/dbraw/zinc/01/54/23/383015423.db2.gz XHFVOIIJWSVVCH-GVDBMIGSSA-N 2 0 292.398 2.845 20 0 CFADRP CCCCn1cc(C[NH2+]C2CCC(C[NH3+])CC2)c(C)n1 ZINC000423019044 383015474 /nfs/dbraw/zinc/01/54/74/383015474.db2.gz TUEMSAMDABIIGX-UHFFFAOYSA-N 2 0 278.444 2.599 20 0 CFADRP CCCCOCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338257045 382966011 /nfs/dbraw/zinc/96/60/11/382966011.db2.gz DBMNTSMPMBTMDV-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000423100881 532966600 /nfs/dbraw/zinc/96/66/00/532966600.db2.gz CCOCWUYBNREYIU-LZJQFABFSA-N 2 0 298.377 2.980 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423047159 383028266 /nfs/dbraw/zinc/02/82/66/383028266.db2.gz GPHHURMJKIKTMV-QIIPPGSGSA-N 2 0 288.435 2.845 20 0 CFADRP COCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245728468 383028520 /nfs/dbraw/zinc/02/85/20/383028520.db2.gz PWRBKLYPEIHGMV-NNZMDNLPSA-N 2 0 288.435 2.808 20 0 CFADRP c1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423046845 383028761 /nfs/dbraw/zinc/02/87/61/383028761.db2.gz FGAYLALMXFBEOS-XYPWUTKMSA-N 2 0 256.393 2.634 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423047572 383030543 /nfs/dbraw/zinc/03/05/43/383030543.db2.gz GRVBTPSPTJAJHD-HNNXBMFYSA-N 2 0 268.445 2.857 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000423048968 383030624 /nfs/dbraw/zinc/03/06/24/383030624.db2.gz JMHIXQYXYIAOTJ-IMJJTQAJSA-N 2 0 266.429 2.609 20 0 CFADRP CCc1cccc(Cl)c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579592151 383032220 /nfs/dbraw/zinc/03/22/20/383032220.db2.gz FWRJIESSROXVPJ-KGLIPLIRSA-N 2 0 278.827 2.944 20 0 CFADRP C[C@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423055044 383032534 /nfs/dbraw/zinc/03/25/34/383032534.db2.gz VMGHLFBEPASKBM-GXTWGEPZSA-N 2 0 282.378 2.875 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423057318 383033913 /nfs/dbraw/zinc/03/39/13/383033913.db2.gz HAFQZUSWQBTKIB-HUUCEWRRSA-N 2 0 275.440 2.619 20 0 CFADRP COCCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCCCC1 ZINC000423061747 383036643 /nfs/dbraw/zinc/03/66/43/383036643.db2.gz LLIUXEXXWFGATD-UONOGXRCSA-N 2 0 256.434 2.689 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000423063257 383036753 /nfs/dbraw/zinc/03/67/53/383036753.db2.gz OKMLROKCAQWCNY-HUUCEWRRSA-N 2 0 268.445 2.690 20 0 CFADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)CC2 ZINC000423062397 383036786 /nfs/dbraw/zinc/03/67/86/383036786.db2.gz MVVSOHNEVGYZTH-YVEFUNNKSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423063123 383036936 /nfs/dbraw/zinc/03/69/36/383036936.db2.gz VNKCOGSKQVKFFN-AYOQOUSVSA-N 2 0 296.414 2.633 20 0 CFADRP C[C@]1(CN[C@@H]2CCC[C@@H]2[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000423062384 383037013 /nfs/dbraw/zinc/03/70/13/383037013.db2.gz MVKLFDDBZMUTHI-RCCFBDPRSA-N 2 0 287.451 2.511 20 0 CFADRP CCSc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000423062161 383037437 /nfs/dbraw/zinc/03/74/37/383037437.db2.gz MKJZBHNBULOWBZ-KBPBESRZSA-N 2 0 279.453 2.801 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000579613863 383037681 /nfs/dbraw/zinc/03/76/81/383037681.db2.gz GPGGUJWMSGJDKG-PMPSAXMXSA-N 2 0 291.439 2.666 20 0 CFADRP CCSc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccn1 ZINC000423064499 383038027 /nfs/dbraw/zinc/03/80/27/383038027.db2.gz RKGORLWZFBKNCG-OCCSQVGLSA-N 2 0 279.453 2.671 20 0 CFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245826388 383038911 /nfs/dbraw/zinc/03/89/11/383038911.db2.gz AZQLROPENZHAQX-SOLBZPMBSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000448022073 383039127 /nfs/dbraw/zinc/03/91/27/383039127.db2.gz MILCTSLKZFWHLK-RDJZCZTQSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448020949 383039248 /nfs/dbraw/zinc/03/92/48/383039248.db2.gz FXAVXFGVUIPJCS-MRXNPFEDSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423388296 383078557 /nfs/dbraw/zinc/07/85/57/383078557.db2.gz INAFYSKYKSBYFV-HSMVNMDESA-N 2 0 282.378 2.874 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423084579 383040838 /nfs/dbraw/zinc/04/08/38/383040838.db2.gz IKBLDFCZYZQVJV-JWMHWRSXSA-N 2 0 268.445 2.559 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000423081047 383040887 /nfs/dbraw/zinc/04/08/87/383040887.db2.gz AWPAMGPQEKNKHM-WLYUNCDWSA-N 2 0 256.434 2.689 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423084578 383041256 /nfs/dbraw/zinc/04/12/56/383041256.db2.gz IKBLDFCZYZQVJV-CIDNJEQPSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069844 383041584 /nfs/dbraw/zinc/04/15/84/383041584.db2.gz MLKSUFHHTNBZOC-JSGCOSHPSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(Br)cn1 ZINC000423096079 383042838 /nfs/dbraw/zinc/04/28/38/383042838.db2.gz NZMOFPAQJFLKFF-LPEHRKFASA-N 2 0 286.217 2.621 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423116828 383043115 /nfs/dbraw/zinc/04/31/15/383043115.db2.gz RRSTZGIDOHTFSC-VGWMRTNUSA-N 2 0 260.381 2.678 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000423169166 383046300 /nfs/dbraw/zinc/04/63/00/383046300.db2.gz VOTKCLHDMLADSB-CVEARBPZSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000423162046 383046473 /nfs/dbraw/zinc/04/64/73/383046473.db2.gz KCQFXNLTGLEKDJ-ZQDZILKHSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000338775922 383046907 /nfs/dbraw/zinc/04/69/07/383046907.db2.gz RVPUJPNOLFHRBU-IBEHDNSVSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423225576 383051350 /nfs/dbraw/zinc/05/13/50/383051350.db2.gz NIJLZUTXXFKGQH-MAZHCROVSA-N 2 0 296.842 2.757 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C23CCC3)C1 ZINC000245948534 383052264 /nfs/dbraw/zinc/05/22/64/383052264.db2.gz WCBLBGCQCLHLMX-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC([NH2+]CCC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338791300 383053117 /nfs/dbraw/zinc/05/31/17/383053117.db2.gz ZEHJMDOAEUWLCN-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nc(C)c([C@H](C)N[C@@H](C[NH3+])CC(C)C)s1 ZINC000423262006 383053559 /nfs/dbraw/zinc/05/35/59/383053559.db2.gz LJFNCUNBGZDTRF-CMPLNLGQSA-N 2 0 255.431 2.784 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000423266474 383054037 /nfs/dbraw/zinc/05/40/37/383054037.db2.gz SDBWZRXXESHSAB-BBWFWOEESA-N 2 0 273.424 2.628 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423272948 383055529 /nfs/dbraw/zinc/05/55/29/383055529.db2.gz KIMLCAAGFNKJSC-RHSMWYFYSA-N 2 0 298.434 2.695 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423283088 383055772 /nfs/dbraw/zinc/05/57/72/383055772.db2.gz XBLZDKYPCDPLHF-VVLHAWIVSA-N 2 0 280.456 2.561 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423305021 383056990 /nfs/dbraw/zinc/05/69/90/383056990.db2.gz ZYQUEJGYQPESDZ-CJNGLKHVSA-N 2 0 291.439 2.557 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000423301173 383057037 /nfs/dbraw/zinc/05/70/37/383057037.db2.gz SQPVGWZOVVOVSA-MNOVXSKESA-N 2 0 290.329 2.873 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423352255 383060854 /nfs/dbraw/zinc/06/08/54/383060854.db2.gz AECAGHBONRSUKW-CZUORRHYSA-N 2 0 260.381 2.501 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000423354012 383061306 /nfs/dbraw/zinc/06/13/06/383061306.db2.gz CLNLYWGAIATIIN-HUUCEWRRSA-N 2 0 292.423 2.887 20 0 CFADRP COC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423353733 383061451 /nfs/dbraw/zinc/06/14/51/383061451.db2.gz MFFIFDDPOZBSGV-OAHLLOKOSA-N 2 0 280.799 2.537 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356791 383062513 /nfs/dbraw/zinc/06/25/13/383062513.db2.gz KQEXVWGZOFXENP-BXUZGUMPSA-N 2 0 278.371 2.553 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423360467 383063346 /nfs/dbraw/zinc/06/33/46/383063346.db2.gz LLYWDRUSCRGUOU-GDBMZVCRSA-N 2 0 292.423 2.505 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423360418 383063967 /nfs/dbraw/zinc/06/39/67/383063967.db2.gz FMCZWUAOQISOGC-BMFZPTHFSA-N 2 0 261.413 2.652 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-n2cccn2)cc1 ZINC000423365732 383065958 /nfs/dbraw/zinc/06/59/58/383065958.db2.gz POAKFGAQRVJKME-GOEBONIOSA-N 2 0 284.407 2.665 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000423368228 383067398 /nfs/dbraw/zinc/06/73/98/383067398.db2.gz DFQGGPBWYMJOTF-DRZSPHRISA-N 2 0 266.360 2.755 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552055009 383067545 /nfs/dbraw/zinc/06/75/45/383067545.db2.gz XAPMCQZAUSJHLZ-LJIZCISZSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000552275103 383080188 /nfs/dbraw/zinc/08/01/88/383080188.db2.gz LAXRGPVBDKHEIH-FHWLQOOXSA-N 2 0 284.447 2.864 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000423372433 383068611 /nfs/dbraw/zinc/06/86/11/383068611.db2.gz GHZJPLABZVDFJZ-MELADBBJSA-N 2 0 262.397 2.795 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000423373512 383069952 /nfs/dbraw/zinc/06/99/52/383069952.db2.gz HBSKHLQSUXIOLO-HCEZTOJASA-N 2 0 280.456 2.987 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423374155 383070272 /nfs/dbraw/zinc/07/02/72/383070272.db2.gz HWFXBUZTNPCMMB-NJAFHUGGSA-N 2 0 290.451 2.958 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000420363689 532967809 /nfs/dbraw/zinc/96/78/09/532967809.db2.gz BWAASYOALFVRSF-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC000423380439 383073515 /nfs/dbraw/zinc/07/35/15/383073515.db2.gz MQYQMBYCWODZGM-MUIFIZLQSA-N 2 0 273.424 2.838 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000579979045 383073673 /nfs/dbraw/zinc/07/36/73/383073673.db2.gz OFRCUNOXYZWGTE-MLHJIOFPSA-N 2 0 285.435 2.766 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C(C)(C)c1ccccc1 ZINC000423382014 383075296 /nfs/dbraw/zinc/07/52/96/383075296.db2.gz DEKMIMBCLWFBBD-FMKPAKJESA-N 2 0 260.425 2.940 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000579991310 383075361 /nfs/dbraw/zinc/07/53/61/383075361.db2.gz JNJVISDLCLIFJD-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000423384528 383076271 /nfs/dbraw/zinc/07/62/71/383076271.db2.gz QIYHDRBQYDQBOD-IIAWOOMASA-N 2 0 284.407 2.663 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423029544 383019826 /nfs/dbraw/zinc/01/98/26/383019826.db2.gz IHJBHJXTJVANHZ-ZFWWWQNUSA-N 2 0 279.403 2.735 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423030753 383020160 /nfs/dbraw/zinc/02/01/60/383020160.db2.gz WFJWSLVWWGXDTQ-MNOVXSKESA-N 2 0 269.458 2.699 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423035310 383022251 /nfs/dbraw/zinc/02/22/51/383022251.db2.gz YRMVJGGURHPSTO-YOEHRIQHSA-N 2 0 275.440 2.857 20 0 CFADRP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423035080 383022619 /nfs/dbraw/zinc/02/26/19/383022619.db2.gz YMMZTTHCIJSHKX-KLHKWILBSA-N 2 0 289.467 2.614 20 0 CFADRP COC1CCC(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423032959 383022723 /nfs/dbraw/zinc/02/27/23/383022723.db2.gz FWARNNFQNIZODD-LBDPXKHJSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCCC1 ZINC000423037237 383023301 /nfs/dbraw/zinc/02/33/01/383023301.db2.gz VXNGZYPTXKCEPK-XMTFNYHQSA-N 2 0 293.499 2.761 20 0 CFADRP CS[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036222 383023516 /nfs/dbraw/zinc/02/35/16/383023516.db2.gz SSBDDMCBAZWZOU-YNEHKIRRSA-N 2 0 258.475 2.884 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000423036287 383023762 /nfs/dbraw/zinc/02/37/62/383023762.db2.gz AINWODWJCATIKT-BRZZBQFESA-N 2 0 277.437 2.702 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037288 383023849 /nfs/dbraw/zinc/02/38/49/383023849.db2.gz MOTMBHZTNFPOKU-IEAZIUSSSA-N 2 0 292.398 2.776 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423040376 383024469 /nfs/dbraw/zinc/02/44/69/383024469.db2.gz UBGYLOFKQRJDPT-FJBKBRRZSA-N 2 0 268.445 2.831 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000423038768 383024973 /nfs/dbraw/zinc/02/49/73/383024973.db2.gz OZABJLOFTJKNSM-RTXFEEFZSA-N 2 0 267.442 2.805 20 0 CFADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423039547 383025390 /nfs/dbraw/zinc/02/53/90/383025390.db2.gz QUNHXNJJHKEKFA-PGUXBMHVSA-N 2 0 282.815 2.614 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423491453 383119479 /nfs/dbraw/zinc/11/94/79/383119479.db2.gz JTJIDQVJKLPOAG-OGHNNQOOSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)c(F)c(F)c1 ZINC000423493724 383120012 /nfs/dbraw/zinc/12/00/12/383120012.db2.gz QWMSWSHCAXHWCS-NGZCFLSTSA-N 2 0 272.314 2.882 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000246909868 383120458 /nfs/dbraw/zinc/12/04/58/383120458.db2.gz LYSKDHYTFGONLN-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(OC)cc1 ZINC000423492304 383120512 /nfs/dbraw/zinc/12/05/12/383120512.db2.gz MMMGHGVCXLVXHT-NOLJZWGESA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(-c2ccccc2)nn1C ZINC000423493508 383120804 /nfs/dbraw/zinc/12/08/04/383120804.db2.gz BQMMRHRTGFKYFY-OFQRWUPVSA-N 2 0 298.434 2.865 20 0 CFADRP COCCC[C@@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423497583 383121197 /nfs/dbraw/zinc/12/11/97/383121197.db2.gz GZTMPRPQKRSVCW-GDBMZVCRSA-N 2 0 264.413 2.871 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423495456 383121765 /nfs/dbraw/zinc/12/17/65/383121765.db2.gz FLMJYKQROPUJCH-PTTAZLHSSA-N 2 0 258.409 2.896 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1(C)C ZINC000246919862 383121930 /nfs/dbraw/zinc/12/19/30/383121930.db2.gz MRBPSQCXHNQIFZ-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000423497848 383122576 /nfs/dbraw/zinc/12/25/76/383122576.db2.gz HMKSIOLLHNCRJI-SQNIBIBYSA-N 3 0 287.451 2.683 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CCN1C ZINC000423497682 383122589 /nfs/dbraw/zinc/12/25/89/383122589.db2.gz HFROOAAPEHVJKN-PVAVHDDUSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423498655 383122770 /nfs/dbraw/zinc/12/27/70/383122770.db2.gz HBVZBUISUMJCBU-FVQBIDKESA-N 2 0 261.413 2.510 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cc2n(n1)CCC2 ZINC000423499903 383122899 /nfs/dbraw/zinc/12/28/99/383122899.db2.gz BQARYDQQQJICBN-WMLDXEAASA-N 2 0 298.434 2.960 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC000423511358 383124689 /nfs/dbraw/zinc/12/46/89/383124689.db2.gz QBRVAZGVZMKFIZ-DJSGYFEHSA-N 2 0 262.372 2.920 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532659 383126533 /nfs/dbraw/zinc/12/65/33/383126533.db2.gz VOXZZFUHWLLRGD-INIZCTEOSA-N 2 0 276.449 2.749 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000247034865 383134739 /nfs/dbraw/zinc/13/47/39/383134739.db2.gz NVAQRVJBWNEJKE-QZTJIDSGSA-N 2 0 293.499 2.572 20 0 CFADRP Clc1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339070303 383138594 /nfs/dbraw/zinc/13/85/94/383138594.db2.gz LSVIRCWOKZPEKR-CABCVRRESA-N 2 0 294.826 2.935 20 0 CFADRP c1ccc2nc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000339066328 383138773 /nfs/dbraw/zinc/13/87/73/383138773.db2.gz HKTBMZPDNOUQRP-ROUUACIJSA-N 2 0 295.430 2.994 20 0 CFADRP Fc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000339070217 383138817 /nfs/dbraw/zinc/13/88/17/383138817.db2.gz XVRSGFNHKRJOCY-KGLIPLIRSA-N 2 0 296.361 2.560 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000554552899 383141298 /nfs/dbraw/zinc/14/12/98/383141298.db2.gz XXCWNTDWESKXNI-AWEZNQCLSA-N 2 0 276.424 2.689 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3cccnc3o2)[C@H](C)C1 ZINC000449031379 383142984 /nfs/dbraw/zinc/14/29/84/383142984.db2.gz USXCKCHKYBLYSJ-CZUORRHYSA-N 2 0 287.407 2.990 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CCCC1 ZINC000423416370 383089274 /nfs/dbraw/zinc/08/92/74/383089274.db2.gz QJUKBBXSLRNWGI-HZPDHXFCSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccncc1 ZINC000423417179 383089297 /nfs/dbraw/zinc/08/92/97/383089297.db2.gz FBUVMZOOCKKYMW-IIAWOOMASA-N 2 0 261.413 2.887 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)NCCC2 ZINC000423418229 383089881 /nfs/dbraw/zinc/08/98/81/383089881.db2.gz UHDUIRIXMFWBPB-CVEARBPZSA-N 2 0 285.435 2.761 20 0 CFADRP COC[C@]1(C[NH2+][C@H](Cc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423418946 383090057 /nfs/dbraw/zinc/09/00/57/383090057.db2.gz VJPNMNUNMRWKFT-QZTJIDSGSA-N 2 0 290.451 2.612 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](Cc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423418948 383090073 /nfs/dbraw/zinc/09/00/73/383090073.db2.gz VJPNMNUNMRWKFT-ROUUACIJSA-N 2 0 290.451 2.612 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCC[NH2+]1 ZINC000423422844 383090631 /nfs/dbraw/zinc/09/06/31/383090631.db2.gz ZEMZZTMFZJKVBX-OKZBNKHCSA-N 2 0 288.435 2.681 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423422601 383091069 /nfs/dbraw/zinc/09/10/69/383091069.db2.gz BNAIGSFWWBVKSF-YHUYYLMFSA-N 2 0 268.420 2.883 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C)o1 ZINC000423421768 383091109 /nfs/dbraw/zinc/09/11/09/383091109.db2.gz AWTWSAPDAZTBHL-XFBWCDHKSA-N 2 0 262.397 2.935 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000423427022 383092000 /nfs/dbraw/zinc/09/20/00/383092000.db2.gz FMAYJZJTKDLKDF-XJKSGUPXSA-N 2 0 291.439 2.615 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423429769 383092542 /nfs/dbraw/zinc/09/25/42/383092542.db2.gz KOJPGYHFZKJRDY-MNOVXSKESA-N 2 0 284.425 2.703 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CCOCC1 ZINC000552902833 383092775 /nfs/dbraw/zinc/09/27/75/383092775.db2.gz HGHBUUWFGGDSNC-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423429419 383092817 /nfs/dbraw/zinc/09/28/17/383092817.db2.gz LGTXAYNVMHINJT-BTYMGIQYSA-N 2 0 290.838 2.859 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cncs1 ZINC000423428485 383092957 /nfs/dbraw/zinc/09/29/57/383092957.db2.gz RKQURUQMOVJVAL-SRVKXCTJSA-N 2 0 253.415 2.559 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000423430878 383093735 /nfs/dbraw/zinc/09/37/35/383093735.db2.gz UVMLSWXQKJNHLA-XEZPLFJOSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431744 383093970 /nfs/dbraw/zinc/09/39/70/383093970.db2.gz NXKRWLDZNDMWDC-RABLLNBGSA-N 2 0 298.352 2.834 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000423438790 383095945 /nfs/dbraw/zinc/09/59/45/383095945.db2.gz NHJMRTPUCPMVSJ-VZJVUDMVSA-N 2 0 279.815 2.774 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C1 ZINC000423439486 383096364 /nfs/dbraw/zinc/09/63/64/383096364.db2.gz ADLQDIIISMYBSR-YJNKXOJESA-N 2 0 261.413 2.742 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000423441421 383097505 /nfs/dbraw/zinc/09/75/05/383097505.db2.gz PCSJEKZXQULEBJ-HZUKXOBISA-N 2 0 292.398 2.873 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCCO2 ZINC000423443888 383098090 /nfs/dbraw/zinc/09/80/90/383098090.db2.gz ARFHPMCLDAXDJR-WFASDCNBSA-N 2 0 278.396 2.626 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423443627 383098319 /nfs/dbraw/zinc/09/83/19/383098319.db2.gz QMGXEFNKSBWWHV-UAGQMJEPSA-N 2 0 291.414 2.896 20 0 CFADRP Clc1cccc([C@H]2CC[C@@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423445832 383099018 /nfs/dbraw/zinc/09/90/18/383099018.db2.gz BZNHOGDEXYIQPB-PJGLDBICSA-N 2 0 276.811 2.784 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423444513 383099058 /nfs/dbraw/zinc/09/90/58/383099058.db2.gz REUJIQQYXMGXTE-JCGIZDLHSA-N 2 0 287.451 2.771 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423455981 383102216 /nfs/dbraw/zinc/10/22/16/383102216.db2.gz NCSPWVOESHDDJL-SMDDNHRTSA-N 2 0 253.365 2.635 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246794708 383105108 /nfs/dbraw/zinc/10/51/08/383105108.db2.gz ARIGRVNJQSEQNE-XJKSGUPXSA-N 2 0 262.397 2.515 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423463359 383105412 /nfs/dbraw/zinc/10/54/12/383105412.db2.gz FTLACEFMLCQNFY-CBBWQLFWSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423465968 383105789 /nfs/dbraw/zinc/10/57/89/383105789.db2.gz AGETZYWWSOTPRW-NVXWUHKLSA-N 2 0 275.440 2.915 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423470403 383107822 /nfs/dbraw/zinc/10/78/22/383107822.db2.gz PHSLPLJZTWMIQQ-GXFFZTMASA-N 2 0 256.340 2.613 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000584537353 383112069 /nfs/dbraw/zinc/11/20/69/383112069.db2.gz AZNSFBVKSCXIOS-KRWDZBQOSA-N 2 0 292.467 2.729 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@H](C)C1 ZINC000246870651 383114691 /nfs/dbraw/zinc/11/46/91/383114691.db2.gz CZICEACBEBRVAH-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)[C@@H](C)C1 ZINC000246870693 383115130 /nfs/dbraw/zinc/11/51/30/383115130.db2.gz CZICEACBEBRVAH-MELADBBJSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423483987 383115848 /nfs/dbraw/zinc/11/58/48/383115848.db2.gz QOMDMAUPTBLHMZ-KBPBESRZSA-N 2 0 265.376 2.794 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cnn1C(C)C ZINC000423490128 383117645 /nfs/dbraw/zinc/11/76/45/383117645.db2.gz XKXJMVIUKIOLCV-ZFWWWQNUSA-N 2 0 278.444 2.955 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423490240 383118772 /nfs/dbraw/zinc/11/87/72/383118772.db2.gz HNTDVTQNPARECN-SQWLQELKSA-N 2 0 284.407 2.650 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)cc(F)c1 ZINC000423492031 383118876 /nfs/dbraw/zinc/11/88/76/383118876.db2.gz LEWCQNXHDDDYGL-RBZYPMLTSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000517356040 383178177 /nfs/dbraw/zinc/17/81/77/383178177.db2.gz BLDFPCSHXZXCJL-KCXAZCMYSA-N 2 0 295.858 2.530 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H](C)O1 ZINC000449126836 383180154 /nfs/dbraw/zinc/18/01/54/383180154.db2.gz VWMIDBFGQHFGDV-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)CCC1 ZINC000339197048 383183433 /nfs/dbraw/zinc/18/34/33/383183433.db2.gz FBOGTNPUXCKFIJ-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248135360 383213244 /nfs/dbraw/zinc/21/32/44/383213244.db2.gz OZMJYXHPKSDWAU-DLBZAZTESA-N 2 0 258.409 2.911 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000566587359 383191353 /nfs/dbraw/zinc/19/13/53/383191353.db2.gz BFZNTFKXFGJUHL-QAPCUYQASA-N 2 0 298.434 2.644 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000518396749 383196714 /nfs/dbraw/zinc/19/67/14/383196714.db2.gz KSWPOFQHXKPJKS-HOTGVXAUSA-N 2 0 276.424 2.877 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000518513980 383201254 /nfs/dbraw/zinc/20/12/54/383201254.db2.gz BBBBYQVACQAQNW-LBPRGKRZSA-N 2 0 289.423 2.567 20 0 CFADRP COCC1CCC([NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000449287824 383201317 /nfs/dbraw/zinc/20/13/17/383201317.db2.gz XYCZVPMRBGMJNI-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@H]21 ZINC000247966331 383203774 /nfs/dbraw/zinc/20/37/74/383203774.db2.gz GVUCJGKOJCIDKL-RHSMWYFYSA-N 2 0 292.398 2.621 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCC2 ZINC000424378172 383205146 /nfs/dbraw/zinc/20/51/46/383205146.db2.gz SKDIQGATYPXORS-KBUPBQIOSA-N 2 0 266.429 2.584 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000518753807 383207355 /nfs/dbraw/zinc/20/73/55/383207355.db2.gz KUZLWCISKWTKHV-FHLIZLRMSA-N 2 0 290.451 2.694 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000248030170 383207906 /nfs/dbraw/zinc/20/79/06/383207906.db2.gz QDMPGUXENRDRIK-YOEHRIQHSA-N 2 0 276.424 2.558 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(C)c2)C1 ZINC000449038227 383147852 /nfs/dbraw/zinc/14/78/52/383147852.db2.gz SJMUYRPTFZAVIM-KRWDZBQOSA-N 2 0 260.425 2.811 20 0 CFADRP C[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449059317 383155819 /nfs/dbraw/zinc/15/58/19/383155819.db2.gz BGANDHRZUWIYOW-ZDUSSCGKSA-N 2 0 270.461 2.636 20 0 CFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000449073969 383161596 /nfs/dbraw/zinc/16/15/96/383161596.db2.gz JYZPMSQRWFBHMW-SFHVURJKSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000449088915 383170064 /nfs/dbraw/zinc/17/00/64/383170064.db2.gz JCIIXWFWDJAILB-LSDHHAIUSA-N 2 0 264.413 2.922 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2nccs2)[C@@H](C)C1 ZINC000248494489 383250221 /nfs/dbraw/zinc/25/02/21/383250221.db2.gz KKXWLUANLZYEOY-AVGNSLFASA-N 2 0 267.442 2.567 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2cccc(F)c2)[C@@H](C)C1 ZINC000248501928 383251172 /nfs/dbraw/zinc/25/11/72/383251172.db2.gz TYYMIDMNSAOHKM-WMLDXEAASA-N 2 0 293.430 2.948 20 0 CFADRP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H](c1ccccc1)[NH+](C)C ZINC000567226875 383253261 /nfs/dbraw/zinc/25/32/61/383253261.db2.gz UUINXCDFLZZWIV-BURFUSLBSA-N 2 0 289.467 2.656 20 0 CFADRP CCc1nocc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000339600772 383258041 /nfs/dbraw/zinc/25/80/41/383258041.db2.gz ANUOAOYDMRKCFA-AWEZNQCLSA-N 2 0 265.401 2.543 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)C1 ZINC000567406132 383272200 /nfs/dbraw/zinc/27/22/00/383272200.db2.gz DXWHRGGHUWKFFT-RRFJBIMHSA-N 2 0 291.414 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC000248162119 383216085 /nfs/dbraw/zinc/21/60/85/383216085.db2.gz SIJNOFLKPHHYIS-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccc(F)c1 ZINC000422777963 532976773 /nfs/dbraw/zinc/97/67/73/532976773.db2.gz DDGNBPWSFZRNAI-RDTXWAMCSA-N 2 0 286.394 2.916 20 0 CFADRP Cc1ccc([C@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000566915961 383225323 /nfs/dbraw/zinc/22/53/23/383225323.db2.gz RBBRUVNMRWITFM-DLBZAZTESA-N 2 0 258.409 2.784 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@@H]21 ZINC000248444314 383243803 /nfs/dbraw/zinc/24/38/03/383243803.db2.gz WBXCFUINYKTEKT-QKPAOTATSA-N 2 0 250.430 2.981 20 0 CFADRP Cc1cccn2c(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cnc12 ZINC000634732445 383334276 /nfs/dbraw/zinc/33/42/76/383334276.db2.gz GSASMCXWVKSWSE-AWEZNQCLSA-N 2 0 286.423 2.511 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000634732880 383335244 /nfs/dbraw/zinc/33/52/44/383335244.db2.gz RDPKGKLJCUKKQG-HUUCEWRRSA-N 2 0 288.435 2.921 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000634733180 383335437 /nfs/dbraw/zinc/33/54/37/383335437.db2.gz YYJPLEQNJNCZRK-AWEZNQCLSA-N 2 0 250.361 2.694 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000634733801 383335664 /nfs/dbraw/zinc/33/56/64/383335664.db2.gz OLVYMJVIEGZSHM-YVSFHVDLSA-N 2 0 256.393 2.522 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734124 383337080 /nfs/dbraw/zinc/33/70/80/383337080.db2.gz XLIOEKSORIVNTL-ZIAGYGMSSA-N 2 0 256.434 2.559 20 0 CFADRP Cc1cccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000339847387 383338272 /nfs/dbraw/zinc/33/82/72/383338272.db2.gz NWXWGQIWGBDBPG-IRXDYDNUSA-N 2 0 258.409 2.911 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000339673250 383283077 /nfs/dbraw/zinc/28/30/77/383283077.db2.gz FSVJMZLNVRHGRG-SFHVURJKSA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]2C2CC2)CC1 ZINC000449428147 383288260 /nfs/dbraw/zinc/28/82/60/383288260.db2.gz QMWMUVRCHZUACK-IBGZPJMESA-N 2 0 299.462 2.813 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248815845 383292990 /nfs/dbraw/zinc/29/29/90/383292990.db2.gz AITJNXXWGRZPKO-AESZEHBQSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000567640515 383296787 /nfs/dbraw/zinc/29/67/87/383296787.db2.gz REDOYVPGIKEAFY-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](C[N@H+](C)CCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000459821449 383298138 /nfs/dbraw/zinc/29/81/38/383298138.db2.gz GCFQRTFTJHWHGO-OAHLLOKOSA-N 2 0 298.471 2.772 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000567647003 383298239 /nfs/dbraw/zinc/29/82/39/383298239.db2.gz KRZAPICMIWQZJX-ZBFHGGJFSA-N 2 0 289.423 2.620 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H](C)O ZINC000567677322 383300648 /nfs/dbraw/zinc/30/06/48/383300648.db2.gz QCIHEKCJGLXIKG-OAGGEKHMSA-N 2 0 290.451 2.920 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000634680226 383309965 /nfs/dbraw/zinc/30/99/65/383309965.db2.gz OIVUQLPQYRMZQF-UONOGXRCSA-N 2 0 270.461 2.900 20 0 CFADRP [NH3+]C[C@H]1CCN(CCC[NH+]2CCCCC2)c2ccccc21 ZINC000634689995 383321195 /nfs/dbraw/zinc/32/11/95/383321195.db2.gz ASADAQJDAUTLAN-MRXNPFEDSA-N 2 0 287.451 2.815 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@H]2CCCC[C@H]12 ZINC000567872344 383324509 /nfs/dbraw/zinc/32/45/09/383324509.db2.gz SSKFTKNPJJESPN-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249101135 383326138 /nfs/dbraw/zinc/32/61/38/383326138.db2.gz NQOIPHUKJWSYBQ-YVSFHVDLSA-N 2 0 282.472 2.759 20 0 CFADRP FC(F)(F)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000251523706 383388997 /nfs/dbraw/zinc/38/89/97/383388997.db2.gz XBUIGZZJHPZXTI-VXGBXAGGSA-N 2 0 264.335 2.650 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000251559974 383390146 /nfs/dbraw/zinc/39/01/46/383390146.db2.gz SCAKWQKTLAFHQT-XEZPLFJOSA-N 2 0 292.423 2.872 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477920697 383392718 /nfs/dbraw/zinc/39/27/18/383392718.db2.gz GJXHRFKSMUQQTF-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP CCc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)cc[nH+]1 ZINC000450412892 383398301 /nfs/dbraw/zinc/39/83/01/383398301.db2.gz RFBBZPWHMJUERI-UHFFFAOYSA-N 2 0 287.382 2.879 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000252095256 383405009 /nfs/dbraw/zinc/40/50/09/383405009.db2.gz HSDJBDGRNPFEAL-XMTFNYHQSA-N 2 0 295.515 2.673 20 0 CFADRP Clc1ccccc1SCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479762795 383412490 /nfs/dbraw/zinc/41/24/90/383412490.db2.gz DKFORJTWCMJSGJ-BETUJISGSA-N 2 0 296.867 2.973 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000250169998 383371552 /nfs/dbraw/zinc/37/15/52/383371552.db2.gz LMLKWTOTPJJLLX-WZRBSPASSA-N 2 0 250.411 2.985 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000340186948 383374105 /nfs/dbraw/zinc/37/41/05/383374105.db2.gz ZJBPXULLRDBOMY-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](C)CCc2ccccc2)C1 ZINC000470016612 383374696 /nfs/dbraw/zinc/37/46/96/383374696.db2.gz VKBCNMNKYAOSNE-DOTOQJQBSA-N 2 0 260.425 2.797 20 0 CFADRP Cc1ncncc1[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000568236858 383379030 /nfs/dbraw/zinc/37/90/30/383379030.db2.gz WVDLAWXPIIBCAA-ZIAGYGMSSA-N 2 0 276.428 2.700 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](OC)C1CC1 ZINC000425433779 383379786 /nfs/dbraw/zinc/37/97/86/383379786.db2.gz OEODIAQCMZRKNA-ULQDDVLXSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]CCc1c[nH]c2ncccc12)[C@@H]1CCCC[NH2+]1 ZINC000568252760 383382266 /nfs/dbraw/zinc/38/22/66/383382266.db2.gz REXYQCQUMOZMNF-HOTGVXAUSA-N 2 0 286.423 2.616 20 0 CFADRP CC[C@H]([NH2+]CCc1c[nH]c2ncccc12)[C@H]1CCCC[NH2+]1 ZINC000568252762 383382710 /nfs/dbraw/zinc/38/27/10/383382710.db2.gz REXYQCQUMOZMNF-JKSUJKDBSA-N 2 0 286.423 2.616 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000250994435 383383661 /nfs/dbraw/zinc/38/36/61/383383661.db2.gz NFQFSHHTUWFTJX-BPUTZDHNSA-N 2 0 276.424 2.733 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250991365 383383778 /nfs/dbraw/zinc/38/37/78/383383778.db2.gz MFGMHMJFQAGGHL-XIRDDKMYSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H]1CCN(CC[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000524771471 383384162 /nfs/dbraw/zinc/38/41/62/383384162.db2.gz XDXQRKHICHUGPT-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000251076035 383384329 /nfs/dbraw/zinc/38/43/29/383384329.db2.gz RVVJPDZAQSPMTE-KZNAEPCWSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000251057163 383384335 /nfs/dbraw/zinc/38/43/35/383384335.db2.gz BTTUSJDTMYTYOG-VSZNYVQBSA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000474723815 383384809 /nfs/dbraw/zinc/38/48/09/383384809.db2.gz SQHXQIVGDZIXQH-BZSNNMDCSA-N 2 0 295.515 2.817 20 0 CFADRP c1csc(C[NH+]2CCC(C[NH2+]Cc3ccon3)CC2)c1 ZINC000634957113 383424236 /nfs/dbraw/zinc/42/42/36/383424236.db2.gz DAGTWTKSRBVXEG-UHFFFAOYSA-N 2 0 291.420 2.738 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000482137268 383431565 /nfs/dbraw/zinc/43/15/65/383431565.db2.gz AGTRXUGLWCYZDA-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000568749187 383432048 /nfs/dbraw/zinc/43/20/48/383432048.db2.gz YSXZIBAQRNYQMF-JKSUJKDBSA-N 2 0 296.370 2.692 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)nn1C ZINC000340474219 383432838 /nfs/dbraw/zinc/43/28/38/383432838.db2.gz SCLLSLOXRVNWOF-HNNXBMFYSA-N 2 0 278.444 2.645 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)nn1C ZINC000340474560 383432847 /nfs/dbraw/zinc/43/28/47/383432847.db2.gz SCLLSLOXRVNWOF-OAHLLOKOSA-N 2 0 278.444 2.645 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@]1(C)CCCO1 ZINC000340473362 383433122 /nfs/dbraw/zinc/43/31/22/383433122.db2.gz BNNVYPBDHGVOGR-DYVFJYSZSA-N 2 0 294.414 2.935 20 0 CFADRP CC(C)OC1CC([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000428240852 383433898 /nfs/dbraw/zinc/43/38/98/383433898.db2.gz PZJQCIJXCVSEIA-JUVOFCAFSA-N 2 0 282.472 2.900 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000340476987 383435573 /nfs/dbraw/zinc/43/55/73/383435573.db2.gz VWWFMPSKMNFEQJ-KKUMJFAQSA-N 2 0 270.461 2.758 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252893892 383438583 /nfs/dbraw/zinc/43/85/83/383438583.db2.gz RWFUNYOFMWSCLR-CZUORRHYSA-N 2 0 262.397 2.515 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000568835334 383440258 /nfs/dbraw/zinc/44/02/58/383440258.db2.gz CNZWFDFCOFOAPW-INIZCTEOSA-N 2 0 296.842 2.885 20 0 CFADRP C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@H]1[NH3+] ZINC000253152337 383447101 /nfs/dbraw/zinc/44/71/01/383447101.db2.gz JCGYZNHWEWQETF-NOZJJQNGSA-N 2 0 256.752 2.648 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000340516533 383452151 /nfs/dbraw/zinc/45/21/51/383452151.db2.gz JODQYDHVUNBKMI-IRXDYDNUSA-N 2 0 292.471 2.762 20 0 CFADRP CCc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc[nH+]1 ZINC000450539099 383452496 /nfs/dbraw/zinc/45/24/96/383452496.db2.gz IRPMNQNGMPJWJL-AWEZNQCLSA-N 2 0 273.424 2.955 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635002763 383458351 /nfs/dbraw/zinc/45/83/51/383458351.db2.gz YXAIXKSXUOTLIU-NTZNESFSSA-N 2 0 289.379 2.715 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635002762 383458915 /nfs/dbraw/zinc/45/89/15/383458915.db2.gz YXAIXKSXUOTLIU-NQBHXWOUSA-N 2 0 289.379 2.715 20 0 CFADRP [NH3+][C@H](CC[NH2+]C(C1CC1)C1CC1)Cc1ccccc1 ZINC000635003911 383459435 /nfs/dbraw/zinc/45/94/35/383459435.db2.gz BSDLOTBJNNOXCL-MRXNPFEDSA-N 2 0 258.409 2.725 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000635005046 383460319 /nfs/dbraw/zinc/46/03/19/383460319.db2.gz GWNURGDNAJBYCD-XBVQOTNRSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000635005017 383461250 /nfs/dbraw/zinc/46/12/50/383461250.db2.gz GVKAMLPXAAOHFL-DZKIICNBSA-N 2 0 273.424 2.706 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000635005744 383461951 /nfs/dbraw/zinc/46/19/51/383461951.db2.gz JVXITOLSUQIZIV-BRWVUGGUSA-N 2 0 290.451 2.740 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c(OC)c1 ZINC000635006770 383463532 /nfs/dbraw/zinc/46/35/32/383463532.db2.gz NMMIXFAZCJDZSB-MGPQQGTHSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc(F)c1 ZINC000635007545 383464330 /nfs/dbraw/zinc/46/43/30/383464330.db2.gz RAINELSJUPCRSD-LALPHHSUSA-N 2 0 250.361 2.994 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCCC2 ZINC000635008071 383464492 /nfs/dbraw/zinc/46/44/92/383464492.db2.gz YXZXOLVPDHLGCM-FPCVCCKLSA-N 2 0 280.456 2.831 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635008710 383464524 /nfs/dbraw/zinc/46/45/24/383464524.db2.gz SKANPPVDNFUHNA-RHSMWYFYSA-N 2 0 269.392 2.692 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000635009223 383465360 /nfs/dbraw/zinc/46/53/60/383465360.db2.gz XIKYIHYBBPJVTR-GJZGRUSLSA-N 2 0 261.413 2.901 20 0 CFADRP Cc1ccccc1[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010839 383467224 /nfs/dbraw/zinc/46/72/24/383467224.db2.gz WBDQCZDIAHBZII-HNNXBMFYSA-N 2 0 296.418 2.973 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000635011388 383467325 /nfs/dbraw/zinc/46/73/25/383467325.db2.gz NMRIKMKSGTUIJE-HIFRSBDPSA-N 2 0 261.413 2.819 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010376 383467457 /nfs/dbraw/zinc/46/74/57/383467457.db2.gz ZJZZDHAWBIYZFJ-SJORKVTESA-N 2 0 278.440 2.597 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)c1 ZINC000635013108 383469664 /nfs/dbraw/zinc/46/96/64/383469664.db2.gz ZJDIRWHFHCBMNP-CQSZACIVSA-N 2 0 281.403 2.887 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012851 383469720 /nfs/dbraw/zinc/46/97/20/383469720.db2.gz WFZOBLZEIMOPBE-ZIAGYGMSSA-N 2 0 261.413 2.819 20 0 CFADRP C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000635013994 383470661 /nfs/dbraw/zinc/47/06/61/383470661.db2.gz XKRBTOKCUOMVGR-JYJNAYRXSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635013873 383470893 /nfs/dbraw/zinc/47/08/93/383470893.db2.gz JCJLEXIHDNBXHC-TZMCWYRMSA-N 2 0 284.831 2.523 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635017485 383472958 /nfs/dbraw/zinc/47/29/58/383472958.db2.gz DJXHDUUWQTZUFI-JKSUJKDBSA-N 2 0 269.392 2.984 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635023886 383474786 /nfs/dbraw/zinc/47/47/86/383474786.db2.gz UAOYYYJGLVMXAN-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)CCC1 ZINC000340580459 383477890 /nfs/dbraw/zinc/47/78/90/383477890.db2.gz SGGKZJUQIBILEZ-AWEZNQCLSA-N 2 0 278.421 2.820 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCC1 ZINC000480550805 383417692 /nfs/dbraw/zinc/41/76/92/383417692.db2.gz HKEMWLCAUOGILX-NXHRZFHOSA-N 2 0 295.515 2.817 20 0 CFADRP CCc1cc(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000450458014 383418580 /nfs/dbraw/zinc/41/85/80/383418580.db2.gz SZIMUTKTTFWHSB-HZPDHXFCSA-N 2 0 291.464 2.660 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccon2)C1 ZINC000634952552 383421142 /nfs/dbraw/zinc/42/11/42/383421142.db2.gz BZTCYHBPFFSFMP-KBPBESRZSA-N 2 0 265.401 2.522 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2nccnc2c1)C[NH+]1CCCCC1 ZINC000634953718 383421838 /nfs/dbraw/zinc/42/18/38/383421838.db2.gz IIKSSVVOPIGLMK-OAHLLOKOSA-N 2 0 298.434 2.841 20 0 CFADRP CN(CCC[NH+]1CCCC1)CC[N@H+](C)Cc1ccccc1 ZINC000450909896 383545589 /nfs/dbraw/zinc/54/55/89/383545589.db2.gz UODHIOHLSAPHKK-UHFFFAOYSA-N 2 0 289.467 2.536 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC000341053176 383546542 /nfs/dbraw/zinc/54/65/42/383546542.db2.gz GCOJJUQYWSIHNP-DOTOQJQBSA-N 2 0 298.430 2.947 20 0 CFADRP CC(C)N(C)c1ccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])cn1 ZINC000261725782 383548215 /nfs/dbraw/zinc/54/82/15/383548215.db2.gz GQWZFCDTMCGDCG-ZBFHGGJFSA-N 2 0 290.455 2.628 20 0 CFADRP C[C@@H]1CCN(CC[NH2+]CCc2cccc(Cl)c2)C1 ZINC000569906236 383548938 /nfs/dbraw/zinc/54/89/38/383548938.db2.gz KXMSKEUKPIKXAD-CYBMUJFWSA-N 2 0 266.816 2.814 20 0 CFADRP CC(C)(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488470225 383549039 /nfs/dbraw/zinc/54/90/39/383549039.db2.gz UUTOSGDJQDRJDB-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257674884 383497026 /nfs/dbraw/zinc/49/70/26/383497026.db2.gz JMDLCFWCOMQWOI-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257708622 383497879 /nfs/dbraw/zinc/49/78/79/383497879.db2.gz SDUNFKFLHJWSJR-QGZVFWFLSA-N 2 0 258.409 2.613 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1 ZINC000261726319 383550287 /nfs/dbraw/zinc/55/02/87/383550287.db2.gz QQFWRYUAGCXCOR-GOSISDBHSA-N 2 0 281.403 2.729 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000261544118 383508736 /nfs/dbraw/zinc/50/87/36/383508736.db2.gz WXGFZOLHFNZAOW-WOPDTQHZSA-N 2 0 253.415 2.572 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000569568151 383513869 /nfs/dbraw/zinc/51/38/69/383513869.db2.gz FZSAGEGBTYFPCI-DLBZAZTESA-N 2 0 284.488 2.885 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000261572339 383515867 /nfs/dbraw/zinc/51/58/67/383515867.db2.gz TULIQSIADOECEL-VYDXJSESSA-N 2 0 258.409 2.864 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261583244 383519320 /nfs/dbraw/zinc/51/93/20/383519320.db2.gz HDGLGEFQTZNTAD-INIZCTEOSA-N 2 0 262.397 2.646 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000261590835 383522787 /nfs/dbraw/zinc/52/27/87/383522787.db2.gz LOVWERMJXBKHGH-CVEARBPZSA-N 2 0 258.409 2.653 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261603003 383526820 /nfs/dbraw/zinc/52/68/20/383526820.db2.gz CCXSZQWTNPRLEJ-XBFCOCLRSA-N 2 0 296.361 2.890 20 0 CFADRP C/C(Cl)=C/C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000528425951 383530758 /nfs/dbraw/zinc/53/07/58/383530758.db2.gz SEYNYJUGIBQEAU-SKLJFFQRSA-N 2 0 253.777 2.909 20 0 CFADRP Nc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000261625327 383530878 /nfs/dbraw/zinc/53/08/78/383530878.db2.gz CQWNVQWNOIUMOY-KRWDZBQOSA-N 2 0 273.424 2.719 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261625970 383531150 /nfs/dbraw/zinc/53/11/50/383531150.db2.gz VJJUCMAMLKLLTG-OIISXLGYSA-N 2 0 256.393 2.748 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261636992 383533761 /nfs/dbraw/zinc/53/37/61/383533761.db2.gz FXFHAOYSKNGBNH-KRWDZBQOSA-N 2 0 284.407 2.556 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C2CC2)c1 ZINC000261649470 383536713 /nfs/dbraw/zinc/53/67/13/383536713.db2.gz XXMIBCMEMDODHU-QGZVFWFLSA-N 2 0 256.393 2.749 20 0 CFADRP CC(C)C1CC([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000488434603 383537375 /nfs/dbraw/zinc/53/73/75/383537375.db2.gz QBTQUFNELHJQNF-UHFFFAOYSA-N 2 0 293.499 2.569 20 0 CFADRP Fc1cccc([C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000261654287 383538726 /nfs/dbraw/zinc/53/87/26/383538726.db2.gz BGVRFAQIPMRJPP-HIFRSBDPSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000429589137 383552276 /nfs/dbraw/zinc/55/22/76/383552276.db2.gz MEYBJDRTCYCMNK-DCGLDWPTSA-N 2 0 297.402 2.981 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261695534 383543059 /nfs/dbraw/zinc/54/30/59/383543059.db2.gz BWOBEQFOYOOSTK-IAGOWNOFSA-N 2 0 258.409 2.551 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000429552245 383543311 /nfs/dbraw/zinc/54/33/11/383543311.db2.gz JBOXCRKJANNZKP-APHBMKBZSA-N 2 0 289.423 2.943 20 0 CFADRP CC[C@H](C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[NH+](CC)CC ZINC000429553055 383543383 /nfs/dbraw/zinc/54/33/83/383543383.db2.gz MJJBZDPPPNYKNY-IUODEOHRSA-N 2 0 277.412 2.765 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCSCCOC)C[C@@H]1C ZINC000488452719 383544143 /nfs/dbraw/zinc/54/41/43/383544143.db2.gz BBGDYUYEZFQPBZ-GJZGRUSLSA-N 2 0 288.501 2.561 20 0 CFADRP Cc1ccc(SCC[N@@H+]2CC[C@H](C[NH3+])C2)cc1C ZINC000430919353 383611113 /nfs/dbraw/zinc/61/11/13/383611113.db2.gz KQYSPQMMVBWJIJ-CQSZACIVSA-N 2 0 264.438 2.676 20 0 CFADRP CCCN(CC(C)(C)[NH3+])[C@@H]1CCCc2cccnc21 ZINC000261915593 383578956 /nfs/dbraw/zinc/57/89/56/383578956.db2.gz JVKNUNCLOZCMSJ-CQSZACIVSA-N 2 0 261.413 2.908 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000261920378 383580661 /nfs/dbraw/zinc/58/06/61/383580661.db2.gz KIJWZBHYBRPHNR-BDAKNGLRSA-N 2 0 278.343 2.936 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261934649 383581526 /nfs/dbraw/zinc/58/15/26/383581526.db2.gz LYKZQHVSMJMETP-QGZVFWFLSA-N 2 0 274.408 2.646 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261950814 383584173 /nfs/dbraw/zinc/58/41/73/383584173.db2.gz NYYIULYQEMODPQ-UKRRQHHQSA-N 2 0 276.424 2.817 20 0 CFADRP Cc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1C ZINC000430919139 383611660 /nfs/dbraw/zinc/61/16/60/383611660.db2.gz JWSIJGONBBWVJT-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP C[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1cccc(Cl)c1 ZINC000261949722 383584550 /nfs/dbraw/zinc/58/45/50/383584550.db2.gz NSZYVNYYVTXQNY-BNOWGMLFSA-N 2 0 264.800 2.595 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261950813 383584756 /nfs/dbraw/zinc/58/47/56/383584756.db2.gz NYYIULYQEMODPQ-HIFRSBDPSA-N 2 0 276.424 2.817 20 0 CFADRP C[C@]1(CN2CC[C@](F)(c3ccccc3F)C2)CC[NH2+]C1 ZINC000261952944 383585918 /nfs/dbraw/zinc/58/59/18/383585918.db2.gz GFMWLKRJIYLXAF-JKSUJKDBSA-N 2 0 280.362 2.696 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1nccs1 ZINC000422910790 532993771 /nfs/dbraw/zinc/99/37/71/532993771.db2.gz JGUJBSLLMRWMSL-HIFRSBDPSA-N 2 0 289.448 2.624 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261958638 383587968 /nfs/dbraw/zinc/58/79/68/383587968.db2.gz OXATXHXXEGXHRS-DGCLKSJQSA-N 2 0 250.361 2.557 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261982402 383589885 /nfs/dbraw/zinc/58/98/85/383589885.db2.gz RNHRCYGSZDJONA-QWHCGFSZSA-N 2 0 250.361 2.600 20 0 CFADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000261984151 383590180 /nfs/dbraw/zinc/59/01/80/383590180.db2.gz JMYDYNQTIKWRHC-ROUUACIJSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423485304 532994153 /nfs/dbraw/zinc/99/41/53/532994153.db2.gz ZBGSZZGVKDMYGC-KGLIPLIRSA-N 2 0 283.504 2.991 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261995408 383592035 /nfs/dbraw/zinc/59/20/35/383592035.db2.gz STQYXQCLMSPTCH-KGLIPLIRSA-N 2 0 264.388 2.990 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000262000949 383592864 /nfs/dbraw/zinc/59/28/64/383592864.db2.gz UCYISLASDNXCEQ-UONOGXRCSA-N 2 0 264.388 2.861 20 0 CFADRP C[C@@](C[NH3+])([NH2+]CCOc1ccc2ccccc2c1)C1CC1 ZINC000430594834 383594790 /nfs/dbraw/zinc/59/47/90/383594790.db2.gz WHBHSNCOJYDFLH-SFHVURJKSA-N 2 0 284.403 2.936 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000430544231 383594861 /nfs/dbraw/zinc/59/48/61/383594861.db2.gz NSAMWANLWNBNKO-RBOXIYTFSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cn2ccccc2n1 ZINC000570383775 383598569 /nfs/dbraw/zinc/59/85/69/383598569.db2.gz BXWBXLCDQGMUHV-CQSZACIVSA-N 2 0 298.434 2.859 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1c(F)cccc1Cl ZINC000570395845 383599425 /nfs/dbraw/zinc/59/94/25/383599425.db2.gz DAEWFNDDPPWSPI-UHFFFAOYSA-N 2 0 258.768 2.692 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262215073 383612513 /nfs/dbraw/zinc/61/25/13/383612513.db2.gz LYNYUKZLSGRLHQ-KRWDZBQOSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1cccc(C)c1OCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000262116198 383605702 /nfs/dbraw/zinc/60/57/02/383605702.db2.gz LFNGDAVTMXMCAW-HNNXBMFYSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1cccc(C)c1OCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000262116200 383606531 /nfs/dbraw/zinc/60/65/31/383606531.db2.gz LFNGDAVTMXMCAW-OAHLLOKOSA-N 2 0 276.424 2.741 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000261762650 383555037 /nfs/dbraw/zinc/55/50/37/383555037.db2.gz DBHCFQIHZSRQNB-GFCCVEGCSA-N 2 0 280.387 2.784 20 0 CFADRP CCc1cc(OC)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261770395 383556322 /nfs/dbraw/zinc/55/63/22/383556322.db2.gz DRCXIMKCSXTQMY-SJPCQFCGSA-N 2 0 288.435 2.972 20 0 CFADRP CCc1cccc(F)c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000261772215 383556993 /nfs/dbraw/zinc/55/69/93/383556993.db2.gz DUCZYPIVGGVXLW-GFCCVEGCSA-N 2 0 264.388 2.947 20 0 CFADRP COc1ccccc1/C=C/C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430908361 383610431 /nfs/dbraw/zinc/61/04/31/383610431.db2.gz IJGIZNYMNNRQOE-GQCTYLIASA-N 2 0 286.419 2.784 20 0 CFADRP C[C@]1(c2ccc(F)cc2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261782177 383559449 /nfs/dbraw/zinc/55/94/49/383559449.db2.gz FMWAQHZBXCYMGH-KRWDZBQOSA-N 2 0 276.399 2.789 20 0 CFADRP CCOc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1OCC ZINC000261786866 383559945 /nfs/dbraw/zinc/55/99/45/383559945.db2.gz NIPALMWFVAQWKG-KRWDZBQOSA-N 2 0 292.423 2.655 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000570035832 383563900 /nfs/dbraw/zinc/56/39/00/383563900.db2.gz ZXYUNRJEFKTTHU-RDTXWAMCSA-N 2 0 298.434 2.694 20 0 CFADRP C[NH2+][C@@H]1CCCN(Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000261826904 383567941 /nfs/dbraw/zinc/56/79/41/383567941.db2.gz VBVCJPUTJMCLGL-QGZVFWFLSA-N 2 0 298.434 2.673 20 0 CFADRP CCOc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430917730 383610954 /nfs/dbraw/zinc/61/09/54/383610954.db2.gz FBXNMCIGPMNWIY-UHFFFAOYSA-N 2 0 274.408 2.661 20 0 CFADRP c1nc(C2CC2)sc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000570948581 383651085 /nfs/dbraw/zinc/65/10/85/383651085.db2.gz HUNHOISHEJMVPM-UHFFFAOYSA-N 2 0 288.420 2.843 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000430937318 383613627 /nfs/dbraw/zinc/61/36/27/383613627.db2.gz AWQWKGRGHJKNRS-OAHLLOKOSA-N 2 0 254.377 2.663 20 0 CFADRP C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430974356 383617766 /nfs/dbraw/zinc/61/77/66/383617766.db2.gz YWXIHJLWQHZZAO-WFASDCNBSA-N 2 0 266.816 2.942 20 0 CFADRP COc1cccc(CCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431033103 383624744 /nfs/dbraw/zinc/62/47/44/383624744.db2.gz GQFHHPSPTYJLII-UHFFFAOYSA-N 2 0 288.435 2.703 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000570720102 383628341 /nfs/dbraw/zinc/62/83/41/383628341.db2.gz ZGHSCCMKLKOEFB-OLZOCXBDSA-N 2 0 262.397 2.691 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000570720104 383628614 /nfs/dbraw/zinc/62/86/14/383628614.db2.gz ZGHSCCMKLKOEFB-STQMWFEESA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C1(C)C ZINC000451501511 383629710 /nfs/dbraw/zinc/62/97/10/383629710.db2.gz PDFLEIPIJVVRNC-SOUVJXGZSA-N 2 0 268.445 2.652 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000572111543 383755603 /nfs/dbraw/zinc/75/56/03/383755603.db2.gz CIVCODRNUGDPDC-AWEZNQCLSA-N 2 0 291.439 2.555 20 0 CFADRP COc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000572120905 383756652 /nfs/dbraw/zinc/75/66/52/383756652.db2.gz GLLYZOHLZUWRDX-CQSZACIVSA-N 2 0 299.418 2.804 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453087654 383764156 /nfs/dbraw/zinc/76/41/56/383764156.db2.gz IWHIUOYYGTWBNE-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C(C)(C)C ZINC000453100065 383765900 /nfs/dbraw/zinc/76/59/00/383765900.db2.gz XTQYIJXENLMIRG-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453122437 383774861 /nfs/dbraw/zinc/77/48/61/383774861.db2.gz XQPZEBMOQFLPAK-MSOLQXFVSA-N 2 0 294.483 2.782 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453122456 383774964 /nfs/dbraw/zinc/77/49/64/383774964.db2.gz XQPZEBMOQFLPAK-ZWKOTPCHSA-N 2 0 294.483 2.782 20 0 CFADRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453123531 383775077 /nfs/dbraw/zinc/77/50/77/383775077.db2.gz ZBFQSQIQJMALMY-MSOLQXFVSA-N 2 0 294.483 2.638 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000453128372 383776619 /nfs/dbraw/zinc/77/66/19/383776619.db2.gz MFNCVSSYWHKYLK-MRXNPFEDSA-N 2 0 290.455 2.676 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cnc(C3CC3)nc2)c2ccccc21 ZINC000571038348 383661523 /nfs/dbraw/zinc/66/15/23/383661523.db2.gz NIOSFWBWBVSJOX-SJORKVTESA-N 2 0 294.402 2.631 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCOC(C)C)CC1 ZINC000640018387 383674132 /nfs/dbraw/zinc/67/41/32/383674132.db2.gz VKRMQVLGXJNNMQ-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP CCCc1noc(CN(C)CCCC[NH+]2CCCCC2)n1 ZINC000640531169 383818588 /nfs/dbraw/zinc/81/85/88/383818588.db2.gz GNJKZMIHNXQHPD-UHFFFAOYSA-N 2 0 294.443 2.720 20 0 CFADRP Cc1nc(CN(C)CCCC[NH+]2CCCCC2)oc1C ZINC000640532411 383818965 /nfs/dbraw/zinc/81/89/65/383818965.db2.gz ZWKJACVLLORRQR-UHFFFAOYSA-N 2 0 279.428 2.989 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH2+]CC2)s1 ZINC000572510401 383788306 /nfs/dbraw/zinc/78/83/06/383788306.db2.gz DMIBDBIXQWFONX-JTQLQIEISA-N 2 0 267.442 2.664 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C1CC1 ZINC000453284643 383835781 /nfs/dbraw/zinc/83/57/81/383835781.db2.gz AYFLGXMZVOVTRO-VBQJREDUSA-N 2 0 273.424 2.680 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000265209114 383860919 /nfs/dbraw/zinc/86/09/19/383860919.db2.gz LMAFJMUWXXJSTD-KRWDZBQOSA-N 2 0 260.425 2.675 20 0 CFADRP Cn1c2ccccc2nc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453601632 383870108 /nfs/dbraw/zinc/87/01/08/383870108.db2.gz UUXJWKOYPXNZLU-UHFFFAOYSA-N 2 0 286.423 2.537 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CCCC(C)(C)C)CCO2 ZINC000646106410 383875138 /nfs/dbraw/zinc/87/51/38/383875138.db2.gz XQRGFEFRCVIXGX-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000573338120 383913652 /nfs/dbraw/zinc/91/36/52/383913652.db2.gz DPIGCDXNQBXQCH-KURKYZTESA-N 3 0 293.499 2.891 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000423056574 533018787 /nfs/dbraw/zinc/01/87/87/533018787.db2.gz YNCBFYGNIYODKE-SFHVURJKSA-N 2 0 299.418 2.592 20 0 CFADRP COc1cccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1F ZINC000646243279 383928836 /nfs/dbraw/zinc/92/88/36/383928836.db2.gz URPMABSBFZBMHE-QGZVFWFLSA-N 2 0 292.398 2.752 20 0 CFADRP Oc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000646250512 383929975 /nfs/dbraw/zinc/92/99/75/383929975.db2.gz ZGYFGMALVRGUHA-UHFFFAOYSA-N 2 0 262.397 2.748 20 0 CFADRP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)S1 ZINC000531614489 383898660 /nfs/dbraw/zinc/89/86/60/383898660.db2.gz KHZXFJNZSPFSOG-MCIONIFRSA-N 2 0 256.459 2.687 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000422720145 533021007 /nfs/dbraw/zinc/02/10/07/533021007.db2.gz ZVAXETMMXHSULS-JYJNAYRXSA-N 2 0 270.461 2.935 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532124846 383980412 /nfs/dbraw/zinc/98/04/12/383980412.db2.gz IHZXQXKQPWTGOR-ZWKOTPCHSA-N 2 0 293.499 2.811 20 0 CFADRP CC[C@H](C[NH2+][C@@H](CC)C1CCOCC1)N1CCCC1 ZINC000532195200 383989627 /nfs/dbraw/zinc/98/96/27/383989627.db2.gz MAFWHUUGHBYYNY-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)C1CCOCC1 ZINC000532213883 383993485 /nfs/dbraw/zinc/99/34/85/383993485.db2.gz BRSAIMDQFXUZSG-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423094056 533021579 /nfs/dbraw/zinc/02/15/79/533021579.db2.gz JDKHONYHVUIJSJ-ILXRZTDVSA-N 2 0 294.414 2.805 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)C1CCOCC1 ZINC000531975368 383951563 /nfs/dbraw/zinc/95/15/63/383951563.db2.gz YRSOJDNQLOXKBY-WBVHZDCISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000531978357 383951832 /nfs/dbraw/zinc/95/18/32/383951832.db2.gz KCQQHGHJFBAZGH-UDVXPWBQSA-N 2 0 276.399 2.989 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000438176492 383963323 /nfs/dbraw/zinc/96/33/23/383963323.db2.gz KRAFLFTYIAQKHF-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346909 412972275 /nfs/dbraw/zinc/97/22/75/412972275.db2.gz AUYLSFPORJJJLG-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000574010309 384027885 /nfs/dbraw/zinc/02/78/85/384027885.db2.gz UQFUCCCMOSZLCC-KFESYUHLSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H](CO)C1CCCCC1 ZINC000574485609 384103425 /nfs/dbraw/zinc/10/34/25/384103425.db2.gz OHQBPDOTWADUQP-KRWDZBQOSA-N 2 0 276.424 2.853 20 0 CFADRP COC(=O)CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000533023238 384093783 /nfs/dbraw/zinc/09/37/83/384093783.db2.gz JKYSMTFWCHEDRK-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC=C(c2ccccn2)C1 ZINC000574999351 384174683 /nfs/dbraw/zinc/17/46/83/384174683.db2.gz BAXPRHFMWJWTQS-MRXNPFEDSA-N 2 0 271.408 2.655 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420301479 533041448 /nfs/dbraw/zinc/04/14/48/533041448.db2.gz FATFWLHQGBRCMU-QEJZJMRPSA-N 2 0 276.449 2.968 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422840587 533041425 /nfs/dbraw/zinc/04/14/25/533041425.db2.gz UBQCAGBPYGETFN-GADNRMJZSA-N 2 0 280.456 2.702 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccncc2F)C1 ZINC000641402735 384183349 /nfs/dbraw/zinc/18/33/49/384183349.db2.gz KRVWNEQSECGCSO-HNNXBMFYSA-N 2 0 285.366 2.931 20 0 CFADRP CC[N@H+](Cc1cc(C)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435387775 285094965 /nfs/dbraw/zinc/09/49/65/285094965.db2.gz BNMVXMRDANTVCA-MRXNPFEDSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000637856505 384226832 /nfs/dbraw/zinc/22/68/32/384226832.db2.gz CLBBPWZOEVNFSU-CYBMUJFWSA-N 2 0 287.407 2.521 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637904686 384265514 /nfs/dbraw/zinc/26/55/14/384265514.db2.gz FWWHKHCZBPAOTN-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP COc1cccc(C)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000637907253 384266836 /nfs/dbraw/zinc/26/68/36/384266836.db2.gz JUJZQUZZNSAXDC-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCCC[NH+](C)C)cc1O ZINC000277324958 384268159 /nfs/dbraw/zinc/26/81/59/384268159.db2.gz WSZKSSVFBKTCOK-CQSZACIVSA-N 2 0 294.439 2.653 20 0 CFADRP Cc1ncc(C[NH2+][C@@H](CO)CC2CCC2)n1-c1ccccc1 ZINC000641756203 384322251 /nfs/dbraw/zinc/32/22/51/384322251.db2.gz FEEKDRWYQUHLKX-MRXNPFEDSA-N 2 0 299.418 2.821 20 0 CFADRP CCC[C@H](C[N@H+](C)C1CC[NH+](CCC)CC1)OC ZINC000637956432 384306728 /nfs/dbraw/zinc/30/67/28/384306728.db2.gz USECLSGWORYDSW-OAHLLOKOSA-N 2 0 256.434 2.608 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](OC)[C@@H](C)CC)CC1 ZINC000637955643 384307466 /nfs/dbraw/zinc/30/74/66/384307466.db2.gz MFMSRMUYUHNHIK-GOEBONIOSA-N 2 0 270.461 2.854 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641708377 384280121 /nfs/dbraw/zinc/28/01/21/384280121.db2.gz YVDAUBKBWDNQEA-ROUUACIJSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000641732304 384301340 /nfs/dbraw/zinc/30/13/40/384301340.db2.gz HIHADTLQKNTOGZ-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ncc(C[NH2+][C@H](CO)CC2CCC2)n1-c1ccccc1 ZINC000641756202 384322154 /nfs/dbraw/zinc/32/21/54/384322154.db2.gz FEEKDRWYQUHLKX-INIZCTEOSA-N 2 0 299.418 2.821 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)ccc1SC ZINC000641804297 384373527 /nfs/dbraw/zinc/37/35/27/384373527.db2.gz XYAVIPVDPQFZED-ZIAGYGMSSA-N 2 0 280.437 2.633 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000641787629 384350364 /nfs/dbraw/zinc/35/03/64/384350364.db2.gz DBYXWQDKCVBGEP-JKSUJKDBSA-N 2 0 290.451 2.707 20 0 CFADRP CCCc1nc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000641798004 384362154 /nfs/dbraw/zinc/36/21/54/384362154.db2.gz GLWWBBANJQSUBB-OAHLLOKOSA-N 2 0 291.439 2.757 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000641798100 384364447 /nfs/dbraw/zinc/36/44/47/384364447.db2.gz HHWUYQRXHZOJBD-ULQDDVLXSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)C1(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000638037254 384374599 /nfs/dbraw/zinc/37/45/99/384374599.db2.gz GJAPJZIGULSGIL-QGZVFWFLSA-N 2 0 293.499 2.525 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000641800591 384367030 /nfs/dbraw/zinc/36/70/30/384367030.db2.gz ZIGJKELYGDLIPL-LBPRGKRZSA-N 2 0 277.412 2.509 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000641799703 384367440 /nfs/dbraw/zinc/36/74/40/384367440.db2.gz PLJCWDYCORWUNA-ZDUSSCGKSA-N 2 0 291.439 2.900 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cc2c1 ZINC000641801419 384369242 /nfs/dbraw/zinc/36/92/42/384369242.db2.gz QPVPUVVBDNHVRI-HOTGVXAUSA-N 2 0 269.392 2.759 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000641801721 384369696 /nfs/dbraw/zinc/36/96/96/384369696.db2.gz UARRECPJLYATJC-VXGBXAGGSA-N 2 0 254.324 2.840 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000641801972 384370831 /nfs/dbraw/zinc/37/08/31/384370831.db2.gz WXCMAEAYLUHARH-FVQBIDKESA-N 2 0 258.409 2.822 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@](C)(CC)OC)C[C@H]1C ZINC000638108874 384421598 /nfs/dbraw/zinc/42/15/98/384421598.db2.gz BNLXGMQLDKFKHU-QLFBSQMISA-N 2 0 256.434 2.606 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000641810210 384375455 /nfs/dbraw/zinc/37/54/55/384375455.db2.gz ZQKKPGRMUZAWKU-NEPJUHHUSA-N 2 0 270.323 2.503 20 0 CFADRP CC(C)CC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000638068096 384389484 /nfs/dbraw/zinc/38/94/84/384389484.db2.gz UZRNTGIQYTVRLL-JKSUJKDBSA-N 2 0 297.487 2.521 20 0 CFADRP CC[C@](C)(C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)OC ZINC000638116811 384429543 /nfs/dbraw/zinc/42/95/43/384429543.db2.gz GXEANFHKTOFVIZ-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2ccnn2CC2CCC2)CC[N@@H+]1C ZINC000638117924 384431300 /nfs/dbraw/zinc/43/13/00/384431300.db2.gz UIBSSPVOSYHYCR-ZBFHGGJFSA-N 2 0 290.455 2.598 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000638122856 384435398 /nfs/dbraw/zinc/43/53/98/384435398.db2.gz RLOYINKAQBCQFZ-UHFFFAOYSA-N 2 0 293.430 2.962 20 0 CFADRP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000278215847 384500726 /nfs/dbraw/zinc/50/07/26/384500726.db2.gz IIHLRHYGBVCNBC-MQVJKMGUSA-N 2 0 274.408 2.800 20 0 CFADRP C(c1noc2c1CCCC2)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000643061231 384488311 /nfs/dbraw/zinc/48/83/11/384488311.db2.gz YQWBRQYHERZAJC-HNNXBMFYSA-N 2 0 289.423 2.517 20 0 CFADRP Cc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C[NH+](C)C)c1 ZINC000638258121 384514248 /nfs/dbraw/zinc/51/42/48/384514248.db2.gz XVFWBPKPQFAADK-ZBFHGGJFSA-N 2 0 275.440 2.951 20 0 CFADRP CC1CC[NH+](CCC[NH2+]CCC2CCOCC2)CC1 ZINC000638306204 384546930 /nfs/dbraw/zinc/54/69/30/384546930.db2.gz LGGXAVLIZBQSKE-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CO[C@@H](C[NH2+]CCC[NH+]1CCCCC1)CC(C)C ZINC000638309634 384549299 /nfs/dbraw/zinc/54/92/99/384549299.db2.gz STTMXGKFKWSQED-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000643296041 384555441 /nfs/dbraw/zinc/55/54/41/384555441.db2.gz UDHJYSMBFGTQQW-GPANFISMSA-N 2 0 273.424 2.921 20 0 CFADRP c1ccc(CN2CC[C@H]([NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000278399832 384557516 /nfs/dbraw/zinc/55/75/16/384557516.db2.gz NNEUQZQQYNZUOK-CVEARBPZSA-N 2 0 276.449 2.604 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289336892 197302064 /nfs/dbraw/zinc/30/20/64/197302064.db2.gz WJKNYIWECDISFJ-IUODEOHRSA-N 2 0 292.398 2.753 20 0 CFADRP Cn1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000638359394 384581971 /nfs/dbraw/zinc/58/19/71/384581971.db2.gz PFNACJNCWCHIBX-AWEZNQCLSA-N 2 0 283.419 2.752 20 0 CFADRP c1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000638361006 384584575 /nfs/dbraw/zinc/58/45/75/384584575.db2.gz YYUVDCZTVQGKBE-IRXDYDNUSA-N 2 0 299.462 2.587 20 0 CFADRP c1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000638361004 384585063 /nfs/dbraw/zinc/58/50/63/384585063.db2.gz YYUVDCZTVQGKBE-DLBZAZTESA-N 2 0 299.462 2.587 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000643349817 384603671 /nfs/dbraw/zinc/60/36/71/384603671.db2.gz WSVGENMFTFALDX-PKSQDBQZSA-N 2 0 267.442 2.975 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](C)OC ZINC000643357090 384609070 /nfs/dbraw/zinc/60/90/70/384609070.db2.gz GAKIPLRVCQSKJH-AWEZNQCLSA-N 2 0 264.413 2.605 20 0 CFADRP C[C@@H](C[NH2+]CC1CCSCC1)C[NH+]1CCCCC1 ZINC000638390653 384614725 /nfs/dbraw/zinc/61/47/25/384614725.db2.gz LVAKNMRVWUPECB-AWEZNQCLSA-N 2 0 270.486 2.841 20 0 CFADRP COCC1(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCC1 ZINC000638390235 384614859 /nfs/dbraw/zinc/61/48/59/384614859.db2.gz IHVOPYZZEJGSNA-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638366379 384592880 /nfs/dbraw/zinc/59/28/80/384592880.db2.gz NVQLELOYOAZFPO-ILXRZTDVSA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@](C)(C[NH2+]CCCC[NH+]1CCC(C)CC1)OC ZINC000638371085 384596155 /nfs/dbraw/zinc/59/61/55/384596155.db2.gz OUHWYNKRKYSNPV-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000643344992 384597094 /nfs/dbraw/zinc/59/70/94/384597094.db2.gz FWXGKTPPMQZRLC-NVXWUHKLSA-N 2 0 287.451 2.651 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc(C)n1 ZINC000643349233 384601799 /nfs/dbraw/zinc/60/17/99/384601799.db2.gz GOXNPBVHVWALEF-CQSZACIVSA-N 2 0 261.413 2.518 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497625 384662920 /nfs/dbraw/zinc/66/29/20/384662920.db2.gz JGIDXXXHPGNMIP-QAPCUYQASA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000643498854 384663199 /nfs/dbraw/zinc/66/31/99/384663199.db2.gz LYMUFVPNUPAZKR-QGZVFWFLSA-N 2 0 260.425 2.905 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000643500795 384665007 /nfs/dbraw/zinc/66/50/07/384665007.db2.gz KCFXAZDLWKGGRF-ZUZCIYMTSA-N 2 0 266.335 2.541 20 0 CFADRP CO[C@H](C[NH2+]CCCC[NH+](C)C)C1CCCCC1 ZINC000638452345 384670782 /nfs/dbraw/zinc/67/07/82/384670782.db2.gz XQSSBZASRIIURN-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)n1 ZINC000643503347 384671320 /nfs/dbraw/zinc/67/13/20/384671320.db2.gz AOFFWRYGSZIWIH-QEJZJMRPSA-N 2 0 261.413 2.737 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000643503346 384671406 /nfs/dbraw/zinc/67/14/06/384671406.db2.gz AOFFWRYGSZIWIH-AEGPPILISA-N 2 0 261.413 2.737 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)[C@@H]1CCC[NH2+]C1 ZINC000643503425 384673771 /nfs/dbraw/zinc/67/37/71/384673771.db2.gz SNFWZMMPAQLCKS-LYOVBCGYSA-N 2 0 280.362 2.930 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456591 384636843 /nfs/dbraw/zinc/63/68/43/384636843.db2.gz LFOODYCXOTYVNU-OCCSQVGLSA-N 2 0 286.341 2.965 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643457568 384639509 /nfs/dbraw/zinc/63/95/09/384639509.db2.gz NAPUVPMGGQKVTP-HUUCEWRRSA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457583 384640510 /nfs/dbraw/zinc/64/05/10/384640510.db2.gz OPYHAJYEWVDIID-ZIAGYGMSSA-N 2 0 277.799 2.833 20 0 CFADRP Cc1csc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000643460714 384642134 /nfs/dbraw/zinc/64/21/34/384642134.db2.gz JFDYIPOWXRTOKU-ZFWWWQNUSA-N 2 0 289.448 2.542 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460378 384642683 /nfs/dbraw/zinc/64/26/83/384642683.db2.gz YGIWIFPYWLFRKP-BSWAZPDLSA-N 2 0 273.424 2.695 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC(C)(C)c1ccccc1 ZINC000643463629 384644320 /nfs/dbraw/zinc/64/43/20/384644320.db2.gz QSXYGRCVVFHXRG-XIRDDKMYSA-N 2 0 290.451 2.696 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466728 384646798 /nfs/dbraw/zinc/64/67/98/384646798.db2.gz LMDNOGYHHIWBAA-KBPBESRZSA-N 2 0 256.434 2.689 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000643467437 384648130 /nfs/dbraw/zinc/64/81/30/384648130.db2.gz FMMNKUZQTFIXIZ-COPLHBTASA-N 2 0 270.804 2.743 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000643467411 384648396 /nfs/dbraw/zinc/64/83/96/384648396.db2.gz AJBVDSUBDMIAAR-GYVWXKFASA-N 2 0 294.826 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)[C@H](C)C1 ZINC000268710593 384650212 /nfs/dbraw/zinc/65/02/12/384650212.db2.gz GPOJPQTYNONSSW-JLSDUUJJSA-N 2 0 272.436 2.864 20 0 CFADRP COc1cccc(C2([NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000643469075 384650940 /nfs/dbraw/zinc/65/09/40/384650940.db2.gz BFBIUURYTIEMCV-KBPBESRZSA-N 2 0 274.408 2.662 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H](NCC[NH2+]C1CC1)CCCO2 ZINC000643507298 384675583 /nfs/dbraw/zinc/67/55/83/384675583.db2.gz YLSFMKZYAGBIRM-INIZCTEOSA-N 2 0 274.408 2.859 20 0 CFADRP Cc1occc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000643472346 384652475 /nfs/dbraw/zinc/65/24/75/384652475.db2.gz ZLUTXTAIVKNOCW-SNVBAGLBSA-N 2 0 259.353 2.601 20 0 CFADRP C[C@H](NCC[NH2+]C1CC1)c1ccc(Cl)c(F)c1 ZINC000643507238 384675650 /nfs/dbraw/zinc/67/56/50/384675650.db2.gz WVOOUAIJWZDKLU-VIFPVBQESA-N 2 0 256.752 2.882 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643475738 384654580 /nfs/dbraw/zinc/65/45/80/384654580.db2.gz HTDHILHOQZWTRI-LMPOIIKSSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000643477978 384654922 /nfs/dbraw/zinc/65/49/22/384654922.db2.gz KLJMHZYAKOGUQU-JJRVBVJISA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643478072 384655037 /nfs/dbraw/zinc/65/50/37/384655037.db2.gz SATMMKWQZZECJU-LSDHHAIUSA-N 2 0 260.425 2.899 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])CCO2 ZINC000643482402 384656958 /nfs/dbraw/zinc/65/69/58/384656958.db2.gz HOTRSBWNLIWFPT-LALPHHSUSA-N 2 0 278.396 2.624 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]CC1CC[NH2+]CC1)C2 ZINC000643497205 384661982 /nfs/dbraw/zinc/66/19/82/384661982.db2.gz SAOGWTVVVBKGHR-KRWDZBQOSA-N 2 0 258.409 2.523 20 0 CFADRP c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)sn1 ZINC000638527852 384723770 /nfs/dbraw/zinc/72/37/70/384723770.db2.gz AFHBBWKHBQQBLR-UHFFFAOYSA-N 2 0 267.442 2.889 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000643508285 384680477 /nfs/dbraw/zinc/68/04/77/384680477.db2.gz BBRPOWQSGJGQJW-CQSZACIVSA-N 2 0 288.439 2.862 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000643508390 384680506 /nfs/dbraw/zinc/68/05/06/384680506.db2.gz ZHHVIMVGPPLYGQ-HNNXBMFYSA-N 2 0 266.816 2.785 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643512318 384681821 /nfs/dbraw/zinc/68/18/21/384681821.db2.gz GILITYYEBVVJGF-SOUVJXGZSA-N 2 0 259.397 2.566 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643521723 384686104 /nfs/dbraw/zinc/68/61/04/384686104.db2.gz ZQMRRYLRWCIWRJ-WMLDXEAASA-N 2 0 274.408 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643522709 384689922 /nfs/dbraw/zinc/68/99/22/384689922.db2.gz SEDXRCUZGHFOPX-ORQFMDKSSA-N 2 0 258.409 2.910 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643523234 384690796 /nfs/dbraw/zinc/69/07/96/384690796.db2.gz YCDKXYQJVCJQRN-VXGBXAGGSA-N 2 0 279.453 2.815 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000643523152 384691234 /nfs/dbraw/zinc/69/12/34/384691234.db2.gz ZFOZMLCKMVTXDB-KGLIPLIRSA-N 2 0 262.397 2.796 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000643523900 384691245 /nfs/dbraw/zinc/69/12/45/384691245.db2.gz MKXITHQGHSLRLO-IHRRRGAJSA-N 2 0 262.397 2.924 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1-n1cccn1 ZINC000643523882 384691412 /nfs/dbraw/zinc/69/14/12/384691412.db2.gz IZMQTJZHGDRYCM-ZNMIVQPWSA-N 2 0 284.407 2.793 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CCCO2 ZINC000643524180 384693776 /nfs/dbraw/zinc/69/37/76/384693776.db2.gz TYRCEBSGVFBGFV-DVOMOZLQSA-N 2 0 290.407 2.768 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000268928395 384693698 /nfs/dbraw/zinc/69/36/98/384693698.db2.gz QGKBZKKPTNIZSG-DLBZAZTESA-N 2 0 290.451 2.883 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000643524199 384694049 /nfs/dbraw/zinc/69/40/49/384694049.db2.gz VFKIXDUARPEKQG-SVGFKBNWSA-N 2 0 273.424 2.967 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)NC[C@H](C)[NH3+])c1 ZINC000643526126 384694501 /nfs/dbraw/zinc/69/45/01/384694501.db2.gz QCRIJXJBTIELHJ-UWVGGRQHSA-N 2 0 258.312 2.594 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)NC[C@@H](C)[NH3+])c1 ZINC000643526128 384694834 /nfs/dbraw/zinc/69/48/34/384694834.db2.gz QCRIJXJBTIELHJ-ZJUUUORDSA-N 2 0 258.312 2.594 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000268928400 384695367 /nfs/dbraw/zinc/69/53/67/384695367.db2.gz QGKBZKKPTNIZSG-SJORKVTESA-N 2 0 290.451 2.883 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000643526193 384696724 /nfs/dbraw/zinc/69/67/24/384696724.db2.gz UAINTEGZKCTDJB-GHMZBOCLSA-N 2 0 272.339 2.546 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000643526540 384696773 /nfs/dbraw/zinc/69/67/73/384696773.db2.gz AQOZQXBEDLQOEI-ZJUUUORDSA-N 2 0 260.303 2.573 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000643527454 384698866 /nfs/dbraw/zinc/69/88/66/384698866.db2.gz NCAYETPNDPZWAC-ZKYQVNSYSA-N 2 0 252.789 2.913 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533941 384706000 /nfs/dbraw/zinc/70/60/00/384706000.db2.gz IKYZPVFIYPQYLA-HIFRSBDPSA-N 2 0 274.433 2.955 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534636 384707095 /nfs/dbraw/zinc/70/70/95/384707095.db2.gz ZEJXRPKMLNLHBG-CZUORRHYSA-N 2 0 274.408 2.796 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534778 384707346 /nfs/dbraw/zinc/70/73/46/384707346.db2.gz CKPXDXXYWVGPPM-JSGCOSHPSA-N 2 0 264.438 2.801 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534698 384707828 /nfs/dbraw/zinc/70/78/28/384707828.db2.gz AHDCUFOCGTXIAC-RBSFLKMASA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1CCC(F)(F)CC1 ZINC000643534739 384707854 /nfs/dbraw/zinc/70/78/54/384707854.db2.gz BKLGRHAETLBELS-AAEUAGOBSA-N 2 0 272.383 2.932 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534568 384708126 /nfs/dbraw/zinc/70/81/26/384708126.db2.gz YBWQIYAWUXYJFY-GXTWGEPZSA-N 2 0 262.422 2.857 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643535441 384708998 /nfs/dbraw/zinc/70/89/98/384708998.db2.gz MNRORNOUHSXFDL-CVEARBPZSA-N 2 0 256.393 2.869 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000643535078 384709117 /nfs/dbraw/zinc/70/91/17/384709117.db2.gz IQOQOVGHAPOXDE-JQWIXIFHSA-N 2 0 279.453 2.807 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000643535552 384709518 /nfs/dbraw/zinc/70/95/18/384709518.db2.gz GNTGFKHYCYXQNN-LSDHHAIUSA-N 2 0 294.826 2.759 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000643535355 384709540 /nfs/dbraw/zinc/70/95/40/384709540.db2.gz CFEUBLYQQPKHLO-HJWJTTGWSA-N 2 0 270.420 2.910 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C12CCCCC2 ZINC000643535258 384709727 /nfs/dbraw/zinc/70/97/27/384709727.db2.gz LCGMGYVZLDXIBQ-OWCLPIDISA-N 2 0 292.467 2.846 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536746 384711031 /nfs/dbraw/zinc/71/10/31/384711031.db2.gz WGWGMHYEURAYEW-HZPDHXFCSA-N 2 0 274.383 2.935 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536560 384711270 /nfs/dbraw/zinc/71/12/70/384711270.db2.gz RSWHKPZNOMHOCZ-JKSUJKDBSA-N 2 0 272.392 2.501 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536541 384711802 /nfs/dbraw/zinc/71/18/02/384711802.db2.gz UUOZMVBXCUNNHZ-ZBFHGGJFSA-N 2 0 290.382 2.771 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643536273 384711980 /nfs/dbraw/zinc/71/19/80/384711980.db2.gz SIJGHSAVIQFITB-CABCVRRESA-N 2 0 277.387 2.650 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536983 384714000 /nfs/dbraw/zinc/71/40/00/384714000.db2.gz XSYJPWVCEWKSBB-KGLIPLIRSA-N 2 0 278.346 2.684 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[C@@H]([C@@H]3CCOC3)C1)CC[NH2+]2 ZINC000643548138 384727618 /nfs/dbraw/zinc/72/76/18/384727618.db2.gz MXPFIXKXQJDJIL-WCXIOVBPSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CCSCC1 ZINC000643548780 384727716 /nfs/dbraw/zinc/72/77/16/384727716.db2.gz UYUDZMNPOIYNRM-TZMCWYRMSA-N 2 0 268.470 2.782 20 0 CFADRP c1ncc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000279682926 384721162 /nfs/dbraw/zinc/72/11/62/384721162.db2.gz OXLGCIXEYKIURX-IYBDPMFKSA-N 2 0 299.443 2.707 20 0 CFADRP C[C@@H](CCCCO)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000643543795 384721582 /nfs/dbraw/zinc/72/15/82/384721582.db2.gz WPWOATLZWIPLHA-GOEBONIOSA-N 2 0 264.413 2.607 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC1(F)F ZINC000638602960 384774833 /nfs/dbraw/zinc/77/48/33/384774833.db2.gz GEFDCGNJLZZPRN-QJPTWQEYSA-N 2 0 262.388 2.986 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643549106 384729033 /nfs/dbraw/zinc/72/90/33/384729033.db2.gz BBKRSRGUJLIXRS-RWYOIZDWSA-N 2 0 292.373 2.930 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643549107 384729360 /nfs/dbraw/zinc/72/93/60/384729360.db2.gz BBKRSRGUJLIXRS-WYFUGZQLSA-N 2 0 292.373 2.930 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000279741927 384742202 /nfs/dbraw/zinc/74/22/02/384742202.db2.gz PBFZBOXXLCGJNC-DZKIICNBSA-N 2 0 264.413 2.692 20 0 CFADRP CC(C)[NH+](CCC[NH2+]CCC[C@@H]1CCO1)C(C)C ZINC000638733128 384876705 /nfs/dbraw/zinc/87/67/05/384876705.db2.gz GCEMJKLCCCUGGS-OAHLLOKOSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CS[C@@H](C)C1)C(C)C ZINC000638735079 384876842 /nfs/dbraw/zinc/87/68/42/384876842.db2.gz NTMVKFAUVDHFCY-UONOGXRCSA-N 2 0 258.475 2.979 20 0 CFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[C@@H]1CCO1 ZINC000638721740 384865545 /nfs/dbraw/zinc/86/55/45/384865545.db2.gz QJDDTHYANFHHPO-QGZVFWFLSA-N 2 0 280.456 2.942 20 0 CFADRP COc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561941 533097224 /nfs/dbraw/zinc/09/72/24/533097224.db2.gz OKSBFNRHMQHHEX-WOPDTQHZSA-N 2 0 268.426 2.562 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000644515732 384913924 /nfs/dbraw/zinc/91/39/24/384913924.db2.gz XBFCQHVQTOJZLB-HNNXBMFYSA-N 2 0 298.430 2.886 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+]CCN3CCC3)CCN2C2CC2)cc1 ZINC000638786435 384917314 /nfs/dbraw/zinc/91/73/14/384917314.db2.gz AQDAXKNLKLSKGP-IEBWSBKVSA-N 2 0 299.462 2.650 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000644522334 384918176 /nfs/dbraw/zinc/91/81/76/384918176.db2.gz OBTMFGFUKUCQNO-QAPCUYQASA-N 2 0 290.451 2.922 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269956422 384919050 /nfs/dbraw/zinc/91/90/50/384919050.db2.gz KIIHLOHNIBQAMZ-ROUUACIJSA-N 2 0 295.430 2.994 20 0 CFADRP CC[C@](C)(C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638837413 384970664 /nfs/dbraw/zinc/97/06/64/384970664.db2.gz STLMZVIMMWWKNA-QGZVFWFLSA-N 2 0 291.439 2.703 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000638838349 384972355 /nfs/dbraw/zinc/97/23/55/384972355.db2.gz GYGPXFLSRRPJDC-INIZCTEOSA-N 2 0 270.420 2.643 20 0 CFADRP Cn1c(C[NH2+]CCC[NH+]2CCCC2)cc2ccccc21 ZINC000638848763 384982575 /nfs/dbraw/zinc/98/25/75/384982575.db2.gz LUEMOUAMBQSWIF-UHFFFAOYSA-N 2 0 271.408 2.754 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638850338 384984779 /nfs/dbraw/zinc/98/47/79/384984779.db2.gz DIMZSFNXLSJLMS-WMLDXEAASA-N 2 0 278.440 2.899 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000638874402 385006869 /nfs/dbraw/zinc/00/68/69/385006869.db2.gz RYFCHLDLOCQQPU-IRXDYDNUSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(C/C=C\c3ccccc3)C2)C1 ZINC000644784166 385057589 /nfs/dbraw/zinc/05/75/89/385057589.db2.gz ZGJYYACULYEOSL-AFCDSYGPSA-N 2 0 256.393 2.727 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(F)F)nc3)[C@H]2C1 ZINC000638917515 385030755 /nfs/dbraw/zinc/03/07/55/385030755.db2.gz GGLMNZITJLZFMY-JSGCOSHPSA-N 2 0 281.350 2.545 20 0 CFADRP COCC1(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)CCC1 ZINC000639036896 385108645 /nfs/dbraw/zinc/10/86/45/385108645.db2.gz DDEICTACNMUYSR-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[C@H](C[NH2+]CC[C@H](C)[NH+]1CCCCC1)OC ZINC000639039010 385111464 /nfs/dbraw/zinc/11/14/64/385111464.db2.gz XXUCKTCMAZXGIX-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000639045927 385121900 /nfs/dbraw/zinc/12/19/00/385121900.db2.gz GIMQHYLRWDWEAN-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP C[NH+](C)CC1(C[NH2+]CCC2CCOCC2)CCCC1 ZINC000639047160 385123784 /nfs/dbraw/zinc/12/37/84/385123784.db2.gz OZAZCPUYCPASLK-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4cnccc43)C2)C1 ZINC000644843076 385099733 /nfs/dbraw/zinc/09/97/33/385099733.db2.gz MUAPKYCVPPCEKF-SFHVURJKSA-N 2 0 281.403 2.762 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CC1(F)F ZINC000639102827 385194626 /nfs/dbraw/zinc/19/46/26/385194626.db2.gz MFMVSDMPVGDUBU-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)(C[NH2+]CC1CCSCC1)C[NH+]1CCCC1 ZINC000639104501 385196175 /nfs/dbraw/zinc/19/61/75/385196175.db2.gz QWKJZOBTMBBSET-UHFFFAOYSA-N 2 0 270.486 2.841 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281582203 385198896 /nfs/dbraw/zinc/19/88/96/385198896.db2.gz LCIZXBDXNVWOLF-MRXNPFEDSA-N 2 0 291.414 2.993 20 0 CFADRP CC(C)(C[NH2+]CCC1CCOCC1)C[NH+]1CCCC1 ZINC000639107160 385200673 /nfs/dbraw/zinc/20/06/73/385200673.db2.gz YISCPFGMLBGBFE-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C(C)C ZINC000645167989 385221938 /nfs/dbraw/zinc/22/19/38/385221938.db2.gz XWLJCRAWOIHKRA-HZPDHXFCSA-N 2 0 297.487 2.519 20 0 CFADRP CO[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)C1CCCC1 ZINC000639125609 385223894 /nfs/dbraw/zinc/22/38/94/385223894.db2.gz XSTMMRVDHPPNFI-JCYILVPMSA-N 2 0 280.456 2.798 20 0 CFADRP C(C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C[C@@H]1CCO1 ZINC000639132661 385232896 /nfs/dbraw/zinc/23/28/96/385232896.db2.gz CTGXVPYVAPRNKC-IAGOWNOFSA-N 2 0 280.456 2.942 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+]CCC1CCOCC1 ZINC000639199106 385317187 /nfs/dbraw/zinc/31/71/87/385317187.db2.gz VVTPXGNYRGAJDZ-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1nccn1CCN1CCc2c(F)ccc(F)c2C1 ZINC000270894865 385259925 /nfs/dbraw/zinc/25/99/25/385259925.db2.gz PUTJIDCUIGBGEM-UHFFFAOYSA-N 2 0 277.318 2.528 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)CCn1ccnc1 ZINC000270891024 385260257 /nfs/dbraw/zinc/26/02/57/385260257.db2.gz XTKYZKNOCIBTQQ-UHFFFAOYSA-N 2 0 279.771 2.547 20 0 CFADRP CC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282480612 385322234 /nfs/dbraw/zinc/32/22/34/385322234.db2.gz LPKYNFWSXYSEQL-SJORKVTESA-N 2 0 290.451 2.648 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000639169116 385273944 /nfs/dbraw/zinc/27/39/44/385273944.db2.gz CLITUQDZWDWGPP-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CCCCC1 ZINC000639177397 385287713 /nfs/dbraw/zinc/28/77/13/385287713.db2.gz DBXKWKHDTYBORZ-KZNAEPCWSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639180771 385293178 /nfs/dbraw/zinc/29/31/78/385293178.db2.gz YFRKUAHNPJOYRO-OVYGPGRDSA-N 2 0 262.441 2.839 20 0 CFADRP CCOC1CC(C[NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000639210143 385332534 /nfs/dbraw/zinc/33/25/34/385332534.db2.gz IMNNJBXPQVJZFX-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cc(C2CC2)no1)C1CC1 ZINC000639243627 385373929 /nfs/dbraw/zinc/37/39/29/385373929.db2.gz CFDNZIYMPVJXLW-UHFFFAOYSA-N 2 0 263.385 2.516 20 0 CFADRP COc1cccc(C)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000639257534 385386259 /nfs/dbraw/zinc/38/62/59/385386259.db2.gz OSDBTRDETFAHOS-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000271857093 385394973 /nfs/dbraw/zinc/39/49/73/385394973.db2.gz JMKQOPVGDBEPCC-MRXNPFEDSA-N 2 0 272.392 2.752 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271902767 385396988 /nfs/dbraw/zinc/39/69/88/385396988.db2.gz VXSZXIXKZZRBCU-HNNXBMFYSA-N 2 0 258.409 2.778 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271910417 385398174 /nfs/dbraw/zinc/39/81/74/385398174.db2.gz XVKMMKWJXRITBC-INIZCTEOSA-N 2 0 272.392 2.534 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CC1(C)C ZINC000639272088 385401610 /nfs/dbraw/zinc/40/16/10/385401610.db2.gz PWGPGIOTTAOMGB-LSDHHAIUSA-N 2 0 282.472 2.636 20 0 CFADRP COC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282913557 385410580 /nfs/dbraw/zinc/41/05/80/385410580.db2.gz GQXUUHQZNKNDNF-WBVHZDCISA-N 2 0 290.451 2.912 20 0 CFADRP COc1cc(C[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)ccn1 ZINC000639290828 385418199 /nfs/dbraw/zinc/41/81/99/385418199.db2.gz WBCWIWBFCXERDY-HNNXBMFYSA-N 2 0 293.455 2.589 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCN1C(C)(C)C)OC ZINC000639303485 385430416 /nfs/dbraw/zinc/43/04/16/385430416.db2.gz RDLYKAYZTLOUHE-BFHYXJOUSA-N 2 0 256.434 2.510 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000272039797 385433388 /nfs/dbraw/zinc/43/33/88/385433388.db2.gz QCSCKDSOPGZWLK-GDBMZVCRSA-N 2 0 275.440 2.951 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639307280 385435092 /nfs/dbraw/zinc/43/50/92/385435092.db2.gz SXKVAHSARNRNAF-ZDUSSCGKSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1n[nH]cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212327 385475691 /nfs/dbraw/zinc/47/56/91/385475691.db2.gz QGXNNHBKORBYLG-RHSMWYFYSA-N 2 0 298.434 2.718 20 0 CFADRP CO[C@](C)(C[NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000639335367 385461126 /nfs/dbraw/zinc/46/11/26/385461126.db2.gz QUEDBCMCNUYRPL-QGZVFWFLSA-N 2 0 280.456 2.513 20 0 CFADRP C(CC1CCOCC1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000639335550 385461412 /nfs/dbraw/zinc/46/14/12/385461412.db2.gz UAWMCSBDBUIVOL-UHFFFAOYSA-N 2 0 280.456 2.515 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000639338050 385464069 /nfs/dbraw/zinc/46/40/69/385464069.db2.gz RURCZLCCLJZETP-WBVHZDCISA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375294 385492485 /nfs/dbraw/zinc/49/24/85/385492485.db2.gz SUELIRQNBGZULI-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272267517 385493877 /nfs/dbraw/zinc/49/38/77/385493877.db2.gz AQACATITIGAAGD-RYQLBKOJSA-N 2 0 290.451 2.912 20 0 CFADRP CN(C/C=C\c1ccc(F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395546 385513306 /nfs/dbraw/zinc/51/33/06/385513306.db2.gz BVCLFOODZQBRKV-BAHPRDJBSA-N 2 0 274.383 2.865 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(O)c2OC)[C@H](C)C1 ZINC000272257990 385489964 /nfs/dbraw/zinc/48/99/64/385489964.db2.gz JPDDLEMXCIGPPI-HIFRSBDPSA-N 2 0 292.423 2.563 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000337457389 285179243 /nfs/dbraw/zinc/17/92/43/285179243.db2.gz JMSGYBYCXQFXEA-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639453599 385538773 /nfs/dbraw/zinc/53/87/73/385538773.db2.gz OLFVKJOFPGHVHO-UHFFFAOYSA-N 2 0 288.435 2.533 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(C)sc2C)CC[C@@H]1[NH3+] ZINC000122237685 413002209 /nfs/dbraw/zinc/00/22/09/413002209.db2.gz HFEOSRUFZKHYMI-OCCSQVGLSA-N 2 0 252.427 2.924 20 0 CFADRP COCCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272495302 385552810 /nfs/dbraw/zinc/55/28/10/385552810.db2.gz NGFDTRQDLFNWAD-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[NH3+])cc1 ZINC000423197028 533129571 /nfs/dbraw/zinc/12/95/71/533129571.db2.gz XJZIGWZIGBODIB-GOSISDBHSA-N 2 0 284.403 2.917 20 0 CFADRP C[C@@H]([NH2+]CC1(C)COC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272505790 385555085 /nfs/dbraw/zinc/55/50/85/385555085.db2.gz OFKBKLVUUVURQM-NVXWUHKLSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000639489391 385557414 /nfs/dbraw/zinc/55/74/14/385557414.db2.gz PBUGWYQCVZKEKF-XMTFNYHQSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]([NH2+]C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564488 385565640 /nfs/dbraw/zinc/56/56/40/385565640.db2.gz FFBQSYBMVLUFFN-WBVHZDCISA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000639517565 385569592 /nfs/dbraw/zinc/56/95/92/385569592.db2.gz KZHYAJOQHJECNM-UHFFFAOYSA-N 2 0 296.418 2.724 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423140872 533130732 /nfs/dbraw/zinc/13/07/32/533130732.db2.gz ZOWPRFIJDFYDGK-XHSDSOJGSA-N 2 0 280.456 2.704 20 0 CFADRP COCC1(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000423140425 533131099 /nfs/dbraw/zinc/13/10/99/533131099.db2.gz YEPIXQHFZUKDFM-WBVHZDCISA-N 2 0 290.451 2.741 20 0 CFADRP CC[C@@H]1CN(Cc2ccc(OC)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122261810 413005494 /nfs/dbraw/zinc/00/54/94/413005494.db2.gz CQQWJQITIVNRIR-OCCSQVGLSA-N 2 0 282.815 2.908 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684163 385658986 /nfs/dbraw/zinc/65/89/86/385658986.db2.gz SIZZMAOAZVTOTD-UHFFFAOYSA-N 2 0 296.418 2.540 20 0 CFADRP C1=C(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000639683070 385659127 /nfs/dbraw/zinc/65/91/27/385659127.db2.gz FXEBCOYPMVJMGG-UHFFFAOYSA-N 2 0 257.381 2.704 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682627 385659642 /nfs/dbraw/zinc/65/96/42/385659642.db2.gz FXXCKVWMDIBPML-HNNXBMFYSA-N 2 0 282.391 2.750 20 0 CFADRP c1cc(N2CCC[N@@H+](CCC3CCC3)CC2)cc[nH+]1 ZINC000639683071 385659670 /nfs/dbraw/zinc/65/96/70/385659670.db2.gz FZJQJZBRAZZJJX-UHFFFAOYSA-N 2 0 259.397 2.784 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639681693 385659763 /nfs/dbraw/zinc/65/97/63/385659763.db2.gz BCLPVTVPWHJEIX-UHFFFAOYSA-N 2 0 297.402 2.673 20 0 CFADRP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1C(C)(C)C ZINC000639750929 385696311 /nfs/dbraw/zinc/69/63/11/385696311.db2.gz QANCCPQWNVFRHE-JKSUJKDBSA-N 2 0 281.488 2.523 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2cccnc2)C1 ZINC000639697051 385671316 /nfs/dbraw/zinc/67/13/16/385671316.db2.gz VFPXPWVFEBTYJH-DLBZAZTESA-N 2 0 273.424 2.745 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000639983100 385804404 /nfs/dbraw/zinc/80/44/04/385804404.db2.gz AKWBCSXXDCOMBZ-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000639986529 385806713 /nfs/dbraw/zinc/80/67/13/385806713.db2.gz ODURWTQZJRMMRO-OAHLLOKOSA-N 2 0 282.472 2.734 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCCCOC)CC1 ZINC000639988076 385808076 /nfs/dbraw/zinc/80/80/76/385808076.db2.gz NGDTUECWPTZGCY-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP Cc1ncc([C@@H](C)NCC[C@H]2CCCC[N@@H+]2C)s1 ZINC000639995360 385813183 /nfs/dbraw/zinc/81/31/83/385813183.db2.gz UWYIGEGRFXIPSM-DGCLKSJQSA-N 2 0 267.442 2.977 20 0 CFADRP CC(C)C[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288562020 197112597 /nfs/dbraw/zinc/11/25/97/197112597.db2.gz MJNTZKWVGGAMLV-OAHLLOKOSA-N 2 0 293.455 2.936 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000274778735 385870133 /nfs/dbraw/zinc/87/01/33/385870133.db2.gz ORBOOOQRZVXQKC-ZOBUZTSGSA-N 2 0 298.434 2.971 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274790260 385870908 /nfs/dbraw/zinc/87/09/08/385870908.db2.gz BWXBQZLKAPNKBN-BFYDXBDKSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1cc(N2CC[NH+](CCc3cccs3)CC2)cc[nH+]1 ZINC000274784160 385871233 /nfs/dbraw/zinc/87/12/33/385871233.db2.gz FMYSUHNMARFSAI-UHFFFAOYSA-N 2 0 287.432 2.816 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000275293718 385971979 /nfs/dbraw/zinc/97/19/79/385971979.db2.gz OYJHPZJCWSMOFG-NSHDSACASA-N 2 0 270.779 2.863 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000275305498 385973779 /nfs/dbraw/zinc/97/37/79/385973779.db2.gz QLORTVBAVJAWRM-UHFFFAOYSA-N 2 0 274.408 2.968 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000423114941 533161598 /nfs/dbraw/zinc/16/15/98/533161598.db2.gz MQPOKPWBXMUDQH-NHYWBVRUSA-N 2 0 280.387 2.929 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000423211719 533171264 /nfs/dbraw/zinc/17/12/64/533171264.db2.gz LGZJOXAGTPAZFS-KBPBESRZSA-N 2 0 262.397 2.654 20 0 CFADRP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CC2 ZINC000423431189 533172321 /nfs/dbraw/zinc/17/23/21/533172321.db2.gz LNSVPMPLAPUHQM-DOMZBBRYSA-N 2 0 292.423 2.798 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000681400252 542448908 /nfs/dbraw/zinc/44/89/08/542448908.db2.gz DMFNCIXYZVIQHU-UAGQMJEPSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCOc1ccccc1 ZINC000093516114 184686964 /nfs/dbraw/zinc/68/69/64/184686964.db2.gz LTXYGCOXCQMTMZ-HZPDHXFCSA-N 2 0 276.424 2.966 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCCC1 ZINC000422892598 533211974 /nfs/dbraw/zinc/21/19/74/533211974.db2.gz YWGNFEGXLHZJQX-CABCVRRESA-N 2 0 268.445 2.690 20 0 CFADRP O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1C1CCCC1 ZINC000459792170 285321302 /nfs/dbraw/zinc/32/13/02/285321302.db2.gz IYPGXDSLIMMBDI-ZWKOTPCHSA-N 2 0 294.483 2.735 20 0 CFADRP COC[C@@]1(C[NH2+][C@H]2CCCC23CCCCC3)CCC[NH2+]1 ZINC000423416547 285325791 /nfs/dbraw/zinc/32/57/91/285325791.db2.gz QYAJMOWKBUKOHX-RDJZCZTQSA-N 2 0 280.456 2.848 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682131929 542524205 /nfs/dbraw/zinc/52/42/05/542524205.db2.gz MWNQKIBYUZVTHH-BBRMVZONSA-N 2 0 262.397 2.515 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000682243657 542537723 /nfs/dbraw/zinc/53/77/23/542537723.db2.gz LMNOJEYYSUVXMY-CYBMUJFWSA-N 2 0 285.391 2.718 20 0 CFADRP CCc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000682531155 542563427 /nfs/dbraw/zinc/56/34/27/542563427.db2.gz YYRIQRMKABUGEF-UHFFFAOYSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000020200384 542570806 /nfs/dbraw/zinc/57/08/06/542570806.db2.gz LCJWOKMKMVESOC-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@H](c1ccc(Br)cc1)[N@H+](C)CCC[NH3+] ZINC000133228940 413043025 /nfs/dbraw/zinc/04/30/25/413043025.db2.gz LCYPPIHYKOSTFK-SNVBAGLBSA-N 2 0 271.202 2.791 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1[NH3+] ZINC000134094343 413046001 /nfs/dbraw/zinc/04/60/01/413046001.db2.gz PEHSSOXSFGNEHK-BBRMVZONSA-N 2 0 269.392 2.794 20 0 CFADRP C1COC2(C1)CCC([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000682640917 542575042 /nfs/dbraw/zinc/57/50/42/542575042.db2.gz PQOAPASVWWDSJZ-JCCCHCCOSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000094341712 184785162 /nfs/dbraw/zinc/78/51/62/184785162.db2.gz WMDGDMMKLWJUFE-KDOFPFPSSA-N 2 0 284.403 2.888 20 0 CFADRP COCCSc1ccc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422720899 533269304 /nfs/dbraw/zinc/26/93/04/533269304.db2.gz UCZKLCBZPDLYBA-QWHCGFSZSA-N 2 0 294.464 2.684 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCS2 ZINC000423348589 533289488 /nfs/dbraw/zinc/28/94/88/533289488.db2.gz UIFRUCHQZOWXAG-HNNXBMFYSA-N 2 0 290.432 2.741 20 0 CFADRP COCC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000423106782 533312562 /nfs/dbraw/zinc/31/25/62/533312562.db2.gz DGFSQMWXUBACBR-BBRMVZONSA-N 2 0 293.455 2.951 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422911578 533352152 /nfs/dbraw/zinc/35/21/52/533352152.db2.gz LBWFZZFDHVDZQV-GDBMZVCRSA-N 2 0 260.425 2.985 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422949154 533364691 /nfs/dbraw/zinc/36/46/91/533364691.db2.gz UFISVFYZPMLZBS-OLZOCXBDSA-N 2 0 264.413 2.688 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422948529 533366257 /nfs/dbraw/zinc/36/62/57/533366257.db2.gz SDMXQCLRXOYSNZ-CJNGLKHVSA-N 2 0 276.424 2.690 20 0 CFADRP C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422907870 533390826 /nfs/dbraw/zinc/39/08/26/533390826.db2.gz LPRJXDZTUFJJLI-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP C([NH2+]C[C@H]1CCCOC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435749364 533368710 /nfs/dbraw/zinc/36/87/10/533368710.db2.gz SWHKMIGQLOTLFM-WBVHZDCISA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423315866 533369077 /nfs/dbraw/zinc/36/90/77/533369077.db2.gz JESCIYRGFXCKSN-DVVUODLYSA-N 2 0 270.829 2.703 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423189116 533378996 /nfs/dbraw/zinc/37/89/96/533378996.db2.gz MINBBMQVYFVMFL-CYBMUJFWSA-N 2 0 255.365 2.748 20 0 CFADRP C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)[C@H]1CCCC[NH2+]1 ZINC000422703918 533390348 /nfs/dbraw/zinc/39/03/48/533390348.db2.gz ODMNCQKSNHOLME-ZIAGYGMSSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000414076381 533448932 /nfs/dbraw/zinc/44/89/32/533448932.db2.gz QAKWFHUIJOMFKX-CKEIUWERSA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]([NH2+]CCCc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000423099353 533390968 /nfs/dbraw/zinc/39/09/68/533390968.db2.gz TWTCWWHUNQFAAY-CJNGLKHVSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000422703914 533391217 /nfs/dbraw/zinc/39/12/17/533391217.db2.gz ODMNCQKSNHOLME-KGLIPLIRSA-N 2 0 286.423 2.616 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000423506792 533400324 /nfs/dbraw/zinc/40/03/24/533400324.db2.gz MICAOOAVZGZSPT-YHUYYLMFSA-N 2 0 296.455 2.606 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCC[NH2+]1 ZINC000422768359 533404702 /nfs/dbraw/zinc/40/47/02/533404702.db2.gz ULDHXVJKPBNRJP-WBMJQRKESA-N 2 0 289.398 2.970 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423299703 533408754 /nfs/dbraw/zinc/40/87/54/533408754.db2.gz QLOUISHCIPSHMS-UONOGXRCSA-N 2 0 269.392 2.994 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000423120476 533436269 /nfs/dbraw/zinc/43/62/69/533436269.db2.gz GVTYHCKJSKXXIL-PBHICJAKSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423343712 533438275 /nfs/dbraw/zinc/43/82/75/533438275.db2.gz XDEQHFLSSFWSGC-CRAIPNDOSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000422967942 533524105 /nfs/dbraw/zinc/52/41/05/533524105.db2.gz PVRGXTNHKNJQFY-BSWAZPDLSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(F)c(F)c(F)c1 ZINC000422955223 533496769 /nfs/dbraw/zinc/49/67/69/533496769.db2.gz IZBPRXHIADCAHT-DTWKUNHWSA-N 2 0 260.303 2.882 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(-n2cccn2)c1 ZINC000422814947 533496913 /nfs/dbraw/zinc/49/69/13/533496913.db2.gz WNRKHLXLICKDRU-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c(Cl)c1 ZINC000422889204 533499634 /nfs/dbraw/zinc/49/96/34/533499634.db2.gz OYPCZEHJZRNMGZ-QWRGUYRKSA-N 2 0 270.804 2.607 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422775927 533508275 /nfs/dbraw/zinc/50/82/75/533508275.db2.gz CNCGKJIHSKGLFK-CKEIUWERSA-N 2 0 276.424 2.746 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422775930 533513082 /nfs/dbraw/zinc/51/30/82/533513082.db2.gz CNCGKJIHSKGLFK-JJRVBVJISA-N 2 0 276.424 2.746 20 0 CFADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000423264486 533575665 /nfs/dbraw/zinc/57/56/65/533575665.db2.gz CALYUUBMGZFHBI-HIFRSBDPSA-N 2 0 294.439 2.516 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414876686 533580350 /nfs/dbraw/zinc/58/03/50/533580350.db2.gz DTFZVCAGZZDAAB-QMMMGPOBSA-N 2 0 278.730 2.768 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccccc1Cl ZINC000422775690 533537722 /nfs/dbraw/zinc/53/77/22/533537722.db2.gz BEXABIOPNWFHJO-LBPRGKRZSA-N 2 0 254.805 2.990 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1C ZINC000420297514 533538839 /nfs/dbraw/zinc/53/88/39/533538839.db2.gz GBHTXQWVPFXSRE-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000423095464 533549568 /nfs/dbraw/zinc/54/95/68/533549568.db2.gz MLDWWBRKPJQUAG-QQHRNGFRSA-N 2 0 280.362 2.798 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000423143990 533549915 /nfs/dbraw/zinc/54/99/15/533549915.db2.gz FVXQBVLGGPXRQV-NQBHXWOUSA-N 2 0 264.800 2.784 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(F)cc1Cl ZINC000422952711 533554026 /nfs/dbraw/zinc/55/40/26/533554026.db2.gz CAQWYXCBBIUEIL-JTQLQIEISA-N 2 0 258.768 2.739 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000422805953 533554803 /nfs/dbraw/zinc/55/48/03/533554803.db2.gz MULFSVLJSYVHPN-RDJZCZTQSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OC1CCC1 ZINC000422913140 533554953 /nfs/dbraw/zinc/55/49/53/533554953.db2.gz OYWPJHZFXQTSLB-ZDUSSCGKSA-N 2 0 262.397 2.835 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414776311 533558740 /nfs/dbraw/zinc/55/87/40/533558740.db2.gz GZYFWYLSTXFKLK-CVEARBPZSA-N 2 0 274.408 2.517 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000422859753 533611705 /nfs/dbraw/zinc/61/17/05/533611705.db2.gz KGDFDBHINSLQHX-HSBZDZAISA-N 2 0 292.423 2.933 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422866130 533613448 /nfs/dbraw/zinc/61/34/48/533613448.db2.gz PWAJTFCWVHMJMS-XQQFMLRXSA-N 2 0 280.412 2.789 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc2cccnc12 ZINC000427103633 533625043 /nfs/dbraw/zinc/62/50/43/533625043.db2.gz KXWJLLBFQSLVIT-IRXDYDNUSA-N 2 0 281.403 2.727 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc2cccnc12 ZINC000427103635 533626291 /nfs/dbraw/zinc/62/62/91/533626291.db2.gz KXWJLLBFQSLVIT-SJORKVTESA-N 2 0 281.403 2.727 20 0 CFADRP C1=C(c2ccc(SC3CC[NH2+]CC3)cc2)C[NH2+]C1 ZINC001243116596 781994808 /nfs/dbraw/zinc/99/48/08/781994808.db2.gz VCXYZOVNCLCGOU-UHFFFAOYSA-N 2 0 260.406 2.517 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423004712 533639942 /nfs/dbraw/zinc/63/99/42/533639942.db2.gz PUPMZAIIEBJMBY-ZDUSSCGKSA-N 2 0 250.386 2.611 20 0 CFADRP COc1ccc(C[NH2+]CC(C)(C)[NH3+])c2ccccc12 ZINC000414808395 533658383 /nfs/dbraw/zinc/65/83/83/533658383.db2.gz SNQOKXNQJPTXMR-UHFFFAOYSA-N 2 0 258.365 2.675 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)c2ccccc12 ZINC000414896076 533671019 /nfs/dbraw/zinc/67/10/19/533671019.db2.gz ODFDRTYMXDRGMS-INIZCTEOSA-N 2 0 270.376 2.675 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414889187 533661521 /nfs/dbraw/zinc/66/15/21/533661521.db2.gz KZXQBYDTEIGKCU-NHYWBVRUSA-N 2 0 298.377 2.936 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414821680 533669675 /nfs/dbraw/zinc/66/96/75/533669675.db2.gz BNUNYCPHKFKFLW-DZGCQCFKSA-N 2 0 264.388 2.736 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2c[nH]c3ncccc23)CC1 ZINC000341888676 130113592 /nfs/dbraw/zinc/11/35/92/130113592.db2.gz LQLJEIFKIMMAFS-UHFFFAOYSA-N 2 0 286.423 2.569 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000191522629 130249127 /nfs/dbraw/zinc/24/91/27/130249127.db2.gz GWZOTHABEJUQTB-ZIAGYGMSSA-N 2 0 280.362 2.724 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191643472 130270337 /nfs/dbraw/zinc/27/03/37/130270337.db2.gz HLXOCVGKINBGEO-ZNMIVQPWSA-N 2 0 294.439 2.701 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191657458 130273191 /nfs/dbraw/zinc/27/31/91/130273191.db2.gz IKTUTRZTKIAEJO-SOUVJXGZSA-N 2 0 294.439 2.701 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOC3CCCCCC3)C[C@@H]21 ZINC000342087026 130301100 /nfs/dbraw/zinc/30/11/00/130301100.db2.gz PDOMRWTYTGYUMT-BHYGNILZSA-N 2 0 280.456 2.785 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355616283 130319836 /nfs/dbraw/zinc/31/98/36/130319836.db2.gz ZLOFDULHCQZNIQ-RDHHWEPZSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)[nH]1 ZINC000683108792 542640678 /nfs/dbraw/zinc/64/06/78/542640678.db2.gz DEMADFSQAZAWMT-YNEHKIRRSA-N 2 0 293.459 2.699 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCC[NH3+])cc1 ZINC000237342071 131024854 /nfs/dbraw/zinc/02/48/54/131024854.db2.gz NHCCODBOHQQLFG-CQSZACIVSA-N 2 0 289.423 2.738 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccs2)C[C@@H](C)O1 ZINC000237504840 131037200 /nfs/dbraw/zinc/03/72/00/131037200.db2.gz JGJGGWLWYVKRFA-ZIAGYGMSSA-N 2 0 282.453 2.727 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000250161072 131124825 /nfs/dbraw/zinc/12/48/25/131124825.db2.gz HNMQARULZNMXMS-KGLIPLIRSA-N 2 0 250.411 2.507 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000250263873 131124872 /nfs/dbraw/zinc/12/48/72/131124872.db2.gz VSFGBIGEBXCKTL-OWCLPIDISA-N 2 0 294.826 2.590 20 0 CFADRP Cc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251186682 131128472 /nfs/dbraw/zinc/12/84/72/131128472.db2.gz XZWYHAIITXFUEZ-IRXDYDNUSA-N 2 0 258.409 2.754 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)cc2)C1 ZINC000252439837 131134049 /nfs/dbraw/zinc/13/40/49/131134049.db2.gz TWTDWSAAQIKFFM-ZBFHGGJFSA-N 2 0 276.424 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000252438588 131134090 /nfs/dbraw/zinc/13/40/90/131134090.db2.gz DICSPVJYRSLJNX-UKRRQHHQSA-N 2 0 289.423 2.637 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(O)cc2)C1 ZINC000252438752 131134677 /nfs/dbraw/zinc/13/46/77/131134677.db2.gz GBVHQBVUOSSNLU-GDBMZVCRSA-N 2 0 276.424 2.645 20 0 CFADRP CCOc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252675429 131135643 /nfs/dbraw/zinc/13/56/43/131135643.db2.gz ZSDGGIAOSRUCOG-HOTGVXAUSA-N 2 0 274.408 2.802 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401156944 285506662 /nfs/dbraw/zinc/50/66/62/285506662.db2.gz ROFGQWXDAWIGDY-DLTWYDFYSA-N 2 0 256.393 2.652 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+](C)C(C)C ZINC000268783547 132065825 /nfs/dbraw/zinc/06/58/25/132065825.db2.gz UVWQVEFRQLGPJH-QGZVFWFLSA-N 2 0 278.440 2.564 20 0 CFADRP C[C@H]([NH2+]CCc1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000164766347 542722560 /nfs/dbraw/zinc/72/25/60/542722560.db2.gz RHKKIPXSADESKB-LBPRGKRZSA-N 2 0 282.378 2.827 20 0 CFADRP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268801960 132068820 /nfs/dbraw/zinc/06/88/20/132068820.db2.gz KRWJUSKASRYLEK-RYRKJORJSA-N 2 0 290.451 2.769 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268801956 132068908 /nfs/dbraw/zinc/06/89/08/132068908.db2.gz KRWJUSKASRYLEK-JFIYKMOQSA-N 2 0 290.451 2.769 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000268902894 132085883 /nfs/dbraw/zinc/08/58/83/132085883.db2.gz MRZWXGBWOCJCAZ-ZIAGYGMSSA-N 2 0 264.413 2.651 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CCC1 ZINC000268913461 132087441 /nfs/dbraw/zinc/08/74/41/132087441.db2.gz UNUHVCMVRRAHCQ-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000268955546 132093041 /nfs/dbraw/zinc/09/30/41/132093041.db2.gz DMINFYJTTXJKQI-HNNXBMFYSA-N 2 0 296.842 2.837 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000268986221 132096045 /nfs/dbraw/zinc/09/60/45/132096045.db2.gz LNCGUASHUGBOPC-QGZVFWFLSA-N 2 0 288.435 2.500 20 0 CFADRP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268984175 132096051 /nfs/dbraw/zinc/09/60/51/132096051.db2.gz DSWOUMYISMRISD-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)[C@H](C)C1 ZINC000268998108 132097848 /nfs/dbraw/zinc/09/78/48/132097848.db2.gz OHWDPJXJCUTZCE-NJAFHUGGSA-N 2 0 290.451 2.820 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000684111647 542766246 /nfs/dbraw/zinc/76/62/46/542766246.db2.gz AWLJUJCAJCWHMO-CVEARBPZSA-N 2 0 292.471 2.766 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000361956520 285526268 /nfs/dbraw/zinc/52/62/68/285526268.db2.gz KGONJMZMIKUPLK-CQSZACIVSA-N 2 0 299.443 2.862 20 0 CFADRP CCCCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374256917 393490604 /nfs/dbraw/zinc/49/06/04/393490604.db2.gz BOHDCPLSFPBRKC-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000302441139 393491820 /nfs/dbraw/zinc/49/18/20/393491820.db2.gz NMLNPVPQYBKWPX-FRRDWIJNSA-N 2 0 260.372 2.742 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968297 393515208 /nfs/dbraw/zinc/51/52/08/393515208.db2.gz NIQZRASFLILCAH-QGZVFWFLSA-N 2 0 289.467 2.625 20 0 CFADRP CC1CCC(O)(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000376386231 393518829 /nfs/dbraw/zinc/51/88/29/393518829.db2.gz NLORRXUBCYUEMD-UHFFFAOYSA-N 2 0 294.483 2.735 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000036908307 393525518 /nfs/dbraw/zinc/52/55/18/393525518.db2.gz JUFJIXBKSYYNAC-TUVASFSCSA-N 2 0 295.496 2.669 20 0 CFADRP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381059477 393560590 /nfs/dbraw/zinc/56/05/90/393560590.db2.gz KEHQPUFIKLPFSY-IRXDYDNUSA-N 2 0 290.451 2.505 20 0 CFADRP c1ccc(N2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000684425199 542806646 /nfs/dbraw/zinc/80/66/46/542806646.db2.gz GTOGLSNQDNSSLC-MUYFXNHWSA-N 2 0 299.462 2.872 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2cnccc2c1)C[NH+](C)C ZINC000381990281 393569696 /nfs/dbraw/zinc/56/96/96/393569696.db2.gz JUQIGOXUVVWAIY-ZDUSSCGKSA-N 2 0 257.381 2.522 20 0 CFADRP COc1ccccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000048895087 393607977 /nfs/dbraw/zinc/60/79/77/393607977.db2.gz IQHXFYDUXHDBNG-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401068150 393602189 /nfs/dbraw/zinc/60/21/89/393602189.db2.gz JFZJJCNSHILXBO-FSXGRMEGSA-N 2 0 282.497 2.886 20 0 CFADRP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000385424311 393583302 /nfs/dbraw/zinc/58/33/02/393583302.db2.gz BXKQLKPGQHCHPX-GDBMZVCRSA-N 2 0 258.409 2.897 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403325944 393612394 /nfs/dbraw/zinc/61/23/94/393612394.db2.gz CXPLKUBVAYKLQW-FPCVCCKLSA-N 2 0 250.430 2.743 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000404844027 393621483 /nfs/dbraw/zinc/62/14/83/393621483.db2.gz CTRCQKJBZXJUMB-VXGBXAGGSA-N 2 0 270.323 2.503 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000335004444 393633182 /nfs/dbraw/zinc/63/31/82/393633182.db2.gz CMLPANYNXCOWBL-SUMWQHHRSA-N 2 0 258.409 2.522 20 0 CFADRP C[N@H+](CCCCCn1cccn1)CC[C@@H]1CCCC[NH+]1C ZINC000075859936 393682224 /nfs/dbraw/zinc/68/22/24/393682224.db2.gz CKRZYWWNWIQMDW-KRWDZBQOSA-N 2 0 292.471 2.860 20 0 CFADRP CC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC[NH2+]CC1 ZINC000335022400 393635599 /nfs/dbraw/zinc/63/55/99/393635599.db2.gz GKPBTMXQUFGUQZ-CQSZACIVSA-N 2 0 280.362 2.931 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000335060139 393638387 /nfs/dbraw/zinc/63/83/87/393638387.db2.gz VAOYSKIEXZKKSS-INIZCTEOSA-N 2 0 287.451 2.791 20 0 CFADRP Clc1cc2c(s1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000335406661 393667166 /nfs/dbraw/zinc/66/71/66/393667166.db2.gz LKWKRYQWULVCJP-JTQLQIEISA-N 2 0 270.829 2.759 20 0 CFADRP C1=CO[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000193986987 393670787 /nfs/dbraw/zinc/67/07/87/393670787.db2.gz CDRUUNQMMZMWLI-CVEARBPZSA-N 2 0 264.413 2.629 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000335499249 393673073 /nfs/dbraw/zinc/67/30/73/393673073.db2.gz CDVNLQPXBAFCKH-INIZCTEOSA-N 2 0 272.392 2.718 20 0 CFADRP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335519469 393674788 /nfs/dbraw/zinc/67/47/88/393674788.db2.gz PWFXPWWWBBPRKK-BXUZGUMPSA-N 2 0 280.412 2.952 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000336833509 393751165 /nfs/dbraw/zinc/75/11/65/393751165.db2.gz OGPBIBXRTFLRHN-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000085401472 393751791 /nfs/dbraw/zinc/75/17/91/393751791.db2.gz QAJBBDAHQKEZIJ-GJZGRUSLSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000085401469 393752073 /nfs/dbraw/zinc/75/20/73/393752073.db2.gz QAJBBDAHQKEZIJ-LSDHHAIUSA-N 2 0 270.461 2.758 20 0 CFADRP Oc1cccc2c(NCC[NH+]3CCCCC3)cc[nH+]c12 ZINC000684567858 542827661 /nfs/dbraw/zinc/82/76/61/542827661.db2.gz KYFOOURPVOABMF-UHFFFAOYSA-N 2 0 271.364 2.838 20 0 CFADRP Oc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000684568034 542827732 /nfs/dbraw/zinc/82/77/32/542827732.db2.gz KDHWZXYJSKETNY-QWHCGFSZSA-N 2 0 283.375 2.979 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411232776 393688955 /nfs/dbraw/zinc/68/89/55/393688955.db2.gz AZGYNZHCLQHGJL-SFHVURJKSA-N 2 0 288.435 2.629 20 0 CFADRP C[NH+](C)CC1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684569229 542828302 /nfs/dbraw/zinc/82/83/02/542828302.db2.gz ZDUSUFSRTYVDOK-UHFFFAOYSA-N 2 0 285.391 2.718 20 0 CFADRP c1nc(C2CCC2)sc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335967720 393711991 /nfs/dbraw/zinc/71/19/91/393711991.db2.gz QOEVLAARSZDBEH-MRXNPFEDSA-N 2 0 291.464 2.986 20 0 CFADRP CC(C)Oc1cccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219796061 393760487 /nfs/dbraw/zinc/76/04/87/393760487.db2.gz POABVEVBUBWDCN-DOTOQJQBSA-N 2 0 274.408 2.658 20 0 CFADRP C[C@@H]([NH2+]CCc1cncs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514497 393720658 /nfs/dbraw/zinc/72/06/58/393720658.db2.gz GLOPHWNSSVIXPH-ZIAGYGMSSA-N 2 0 293.480 2.928 20 0 CFADRP FC1(F)CC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000336184983 393721525 /nfs/dbraw/zinc/72/15/25/393721525.db2.gz KMCKVASSPQKDHD-UKRRQHHQSA-N 2 0 284.394 2.980 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H](C)CO ZINC000411539602 393723814 /nfs/dbraw/zinc/72/38/14/393723814.db2.gz YIGYFQBWJJAPLT-HZPDHXFCSA-N 2 0 290.451 2.779 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000411549646 393724583 /nfs/dbraw/zinc/72/45/83/393724583.db2.gz HXBUPHBZXDUDEG-HOTGVXAUSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(OCC[NH+](C)C)c1 ZINC000424334078 393833833 /nfs/dbraw/zinc/83/38/33/393833833.db2.gz YLVBVYGTCCSCMW-CZUORRHYSA-N 2 0 274.408 2.830 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000424335338 393834135 /nfs/dbraw/zinc/83/41/35/393834135.db2.gz PFKUFZFOMJNLQT-TZMCWYRMSA-N 2 0 295.814 2.528 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000223022105 393764610 /nfs/dbraw/zinc/76/46/10/393764610.db2.gz PAXNMSDVRIHSBG-UHTWSYAYSA-N 2 0 252.427 2.847 20 0 CFADRP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3c(O)cccc23)C1 ZINC000684575020 542829933 /nfs/dbraw/zinc/82/99/33/542829933.db2.gz PLGNIYJEQCQCMH-ZDUSSCGKSA-N 2 0 285.391 2.861 20 0 CFADRP C[N@@H+](Cc1cccc(-n2cccn2)c1)CC1CC[NH+](C)CC1 ZINC000093088652 393794198 /nfs/dbraw/zinc/79/41/98/393794198.db2.gz QYTTXFIXDZPOCZ-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP CN(C)c1cc[nH+]cc1CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424209845 393798355 /nfs/dbraw/zinc/79/83/55/393798355.db2.gz ZSXOMWSOWVQKPI-SJORKVTESA-N 2 0 285.366 2.875 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@H]1CCCCO1 ZINC000414703876 393802511 /nfs/dbraw/zinc/80/25/11/393802511.db2.gz VVNKKFKCAHQONS-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCn2cccn2)C[C@H]1c1ccccc1 ZINC000340174270 393837522 /nfs/dbraw/zinc/83/75/22/393837522.db2.gz NXULTTYYAOLXMH-MSOLQXFVSA-N 2 0 298.434 2.698 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3c(F)ccc(F)c3C2)CC[NH2+]1 ZINC000414710441 393803688 /nfs/dbraw/zinc/80/36/88/393803688.db2.gz RDBUKWPIGXCSEZ-RYUDHWBXSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3c(F)cc(F)cc3C2)CC[NH2+]1 ZINC000414716464 393803947 /nfs/dbraw/zinc/80/39/47/393803947.db2.gz ZWGCVHJHIXOLLD-RYUDHWBXSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](COc3ccccc3)C2)CC[NH2+]1 ZINC000414719407 393804522 /nfs/dbraw/zinc/80/45/22/393804522.db2.gz YKHUNWGEULMGST-BRWVUGGUSA-N 2 0 288.435 2.775 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000093946569 393806237 /nfs/dbraw/zinc/80/62/37/393806237.db2.gz JQVIBRXKOUBTKU-JZXOWHBKSA-N 2 0 295.515 2.817 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC000340210943 393837830 /nfs/dbraw/zinc/83/78/30/393837830.db2.gz YKXHEWTWSUIBRQ-MSOLQXFVSA-N 2 0 289.467 2.753 20 0 CFADRP CC1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC[NH2+]CC1 ZINC000414896721 393808317 /nfs/dbraw/zinc/80/83/17/393808317.db2.gz COVFBXUOZGCQOJ-GJZGRUSLSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCCC1 ZINC000415062173 393811402 /nfs/dbraw/zinc/81/14/02/393811402.db2.gz ZYPFOSQOEDCPNW-ZLPCBKJTSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)(C)C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415134555 393812231 /nfs/dbraw/zinc/81/22/31/393812231.db2.gz OVTGZVYIWKRKTN-UHFFFAOYSA-N 2 0 289.467 2.616 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(C)(C)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424288808 393815182 /nfs/dbraw/zinc/81/51/82/393815182.db2.gz ZNUCQFNDFMWMBF-WNKDZCFJSA-N 2 0 294.483 2.902 20 0 CFADRP c1cn(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000339072178 393815480 /nfs/dbraw/zinc/81/54/80/393815480.db2.gz TYUNQDNPGLVCFK-AEFFLSMTSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340210447 393838746 /nfs/dbraw/zinc/83/87/46/393838746.db2.gz QTRZMDULXHXHOG-KBAYOESNSA-N 3 0 289.467 2.752 20 0 CFADRP CC[C@@H](C)C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000339405750 393823190 /nfs/dbraw/zinc/82/31/90/393823190.db2.gz CLEVGNRCUOJOJV-TZMCWYRMSA-N 2 0 281.469 2.909 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428757 393825354 /nfs/dbraw/zinc/82/53/54/393825354.db2.gz MKCKBULJEAMAEG-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424332363 393832428 /nfs/dbraw/zinc/83/24/28/393832428.db2.gz SVOJSQQFKUGOQF-WLGNDBIMSA-N 2 0 276.399 2.942 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCNC2CC[NH+](C3CC3)CC2)C1 ZINC000459384180 393882717 /nfs/dbraw/zinc/88/27/17/393882717.db2.gz YOYOMTZVQARTBM-HOTGVXAUSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000111229645 393883738 /nfs/dbraw/zinc/88/37/38/393883738.db2.gz ZWZLUKKRZVDQLC-MRXNPFEDSA-N 2 0 278.444 2.517 20 0 CFADRP CCOC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000459696568 393885835 /nfs/dbraw/zinc/88/58/35/393885835.db2.gz BIVUERONBFXOSP-MRXNPFEDSA-N 2 0 268.445 2.753 20 0 CFADRP C(COCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459766043 393887793 /nfs/dbraw/zinc/88/77/93/393887793.db2.gz DPGOPVGIVAOPGX-ZMSHIADSSA-N 2 0 292.467 2.559 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459808680 393888438 /nfs/dbraw/zinc/88/84/38/393888438.db2.gz SGXZNTVZJJMPOF-QWHCGFSZSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000344067949 393894804 /nfs/dbraw/zinc/89/48/04/393894804.db2.gz GJVCIHUCFCYTTD-HNNXBMFYSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C2(C)C)C1 ZINC000245965447 393841295 /nfs/dbraw/zinc/84/12/95/393841295.db2.gz YXWUJUUPZXPHKC-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@@H]1OC ZINC000245963186 393841346 /nfs/dbraw/zinc/84/13/46/393841346.db2.gz YOLXGEBLJXJVJM-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@]1(C)CCCO1 ZINC000340355337 393841622 /nfs/dbraw/zinc/84/16/22/393841622.db2.gz XRCZGRCWWQTNTK-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000424382126 393843127 /nfs/dbraw/zinc/84/31/27/393843127.db2.gz ZVWXLOFFHVPQPR-DZJNRPSUSA-N 2 0 287.451 2.509 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684676450 542844600 /nfs/dbraw/zinc/84/46/00/542844600.db2.gz AVVWBISEXNXTQX-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000684676454 542844632 /nfs/dbraw/zinc/84/46/32/542844632.db2.gz AVVWBISEXNXTQX-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000119154198 393916270 /nfs/dbraw/zinc/91/62/70/393916270.db2.gz FEPZOCBVMYGAHE-MRXNPFEDSA-N 2 0 277.456 2.966 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251772342 393933683 /nfs/dbraw/zinc/93/36/83/393933683.db2.gz FCWIHMWJHWUXKX-CTASWTNQSA-N 2 0 250.430 2.885 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429014556 393934170 /nfs/dbraw/zinc/93/41/70/393934170.db2.gz YZHNXZAURYTFIV-ROUUACIJSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C1 ZINC000252172983 393934448 /nfs/dbraw/zinc/93/44/48/393934448.db2.gz RMZCSTVREVEGDY-CTASWTNQSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000120471995 393935032 /nfs/dbraw/zinc/93/50/32/393935032.db2.gz ZHTNHTLRXJYJTA-BHTHQVBYSA-N 2 0 296.842 2.692 20 0 CFADRP CC(C)CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000429042931 393936293 /nfs/dbraw/zinc/93/62/93/393936293.db2.gz DORNXSNGWDKYCI-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC(C)CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000429324573 393951509 /nfs/dbraw/zinc/95/15/09/393951509.db2.gz ARKGMOCXWCCKCI-OWCLPIDISA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120893114 393942744 /nfs/dbraw/zinc/94/27/44/393942744.db2.gz VIJWQFUHBFHAOA-FGTMMUONSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)c1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000259022285 393946621 /nfs/dbraw/zinc/94/66/21/393946621.db2.gz OCBJSSLOZUHSJV-INIZCTEOSA-N 2 0 260.425 2.942 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000474930555 393947505 /nfs/dbraw/zinc/94/75/05/393947505.db2.gz XNAFGTGNOUVPTJ-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000261547833 393948060 /nfs/dbraw/zinc/94/80/60/393948060.db2.gz IQWROSWXJHOLGB-SUNKGSAMSA-N 2 0 252.789 2.989 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000261547832 393948215 /nfs/dbraw/zinc/94/82/15/393948215.db2.gz IQWROSWXJHOLGB-MJVIPROJSA-N 2 0 252.789 2.989 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428866144 393918965 /nfs/dbraw/zinc/91/89/65/393918965.db2.gz XMUPPXAZGTUBTJ-UHFFFAOYSA-N 2 0 293.411 2.867 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000487644388 394016786 /nfs/dbraw/zinc/01/67/86/394016786.db2.gz UEFKKEKQXVYQOM-UONOGXRCSA-N 2 0 269.392 2.941 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000126100550 394019720 /nfs/dbraw/zinc/01/97/20/394019720.db2.gz KCQDYSISOISZPX-YESZJQIVSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475348628 393953601 /nfs/dbraw/zinc/95/36/01/393953601.db2.gz FJQIYOSFNJQBQF-XOYOTBSWSA-N 2 0 270.420 2.706 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CCN1Cc1ccccc1 ZINC000417415269 393958683 /nfs/dbraw/zinc/95/86/83/393958683.db2.gz YWHFOOGOQJIFDG-XOYOTBSWSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3C[C@@](C)(O)C3)CC2)C1 ZINC000417410999 393958730 /nfs/dbraw/zinc/95/87/30/393958730.db2.gz WEDLLGAAALNRBG-DZUCGIPZSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@@H]1CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000430192199 393966064 /nfs/dbraw/zinc/96/60/64/393966064.db2.gz BAXGWTDJQBHQLL-CQSZACIVSA-N 2 0 256.353 2.560 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000349385555 393968707 /nfs/dbraw/zinc/96/87/07/393968707.db2.gz XWLXOJHBQQNXFU-HXQWBMQISA-N 2 0 294.483 2.946 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000349411856 393969908 /nfs/dbraw/zinc/96/99/08/393969908.db2.gz BJJRLPMJLGCIFH-CVEARBPZSA-N 2 0 270.461 2.855 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CCCC2CCCC2)CC1 ZINC000430555220 393992675 /nfs/dbraw/zinc/99/26/75/393992675.db2.gz ONEKNNFCNVLFPH-UHFFFAOYSA-N 2 0 268.445 2.787 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000487265962 393992740 /nfs/dbraw/zinc/99/27/40/393992740.db2.gz CBDMHVMQIITUOR-MAVJXHJTSA-N 2 0 273.424 2.805 20 0 CFADRP COc1cccc(CCC[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430559424 393993913 /nfs/dbraw/zinc/99/39/13/393993913.db2.gz SWKXIRNVCCQXJZ-UHFFFAOYSA-N 2 0 264.413 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000430578735 393995879 /nfs/dbraw/zinc/99/58/79/393995879.db2.gz FNHFWDZFLUINGM-WMZOPIPTSA-N 2 0 290.451 2.695 20 0 CFADRP CSc1ccc(OCC[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430586193 393996674 /nfs/dbraw/zinc/99/66/74/393996674.db2.gz SFNGTRGYJVGUTB-OAHLLOKOSA-N 2 0 282.453 2.750 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000487319836 393997756 /nfs/dbraw/zinc/99/77/56/393997756.db2.gz HRHVREGZUNHJLL-XETQRACLSA-N 2 0 259.397 2.557 20 0 CFADRP [NH3+]CC1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000430656774 394002786 /nfs/dbraw/zinc/00/27/86/394002786.db2.gz UTKDTJWBXXZSLK-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269880754 394008142 /nfs/dbraw/zinc/00/81/42/394008142.db2.gz RYSJZNVVMWQKKY-AWEZNQCLSA-N 2 0 268.351 2.884 20 0 CFADRP CC1CCC(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000352546663 394015187 /nfs/dbraw/zinc/01/51/87/394015187.db2.gz YOHZVFNIDIGKJU-GPANFISMSA-N 2 0 250.430 2.888 20 0 CFADRP C[NH+](C)C1(CNC2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000437102662 394045729 /nfs/dbraw/zinc/04/57/29/394045729.db2.gz YXIQTFKSYXQJAT-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000437089009 394045798 /nfs/dbraw/zinc/04/57/98/394045798.db2.gz MTXAIEQRVUNMCX-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CCCc1cc(NCCCC[NH3+])c2ccccc2[nH+]1 ZINC000420238114 394102131 /nfs/dbraw/zinc/10/21/31/394102131.db2.gz RAWJRUWAYWWXNU-UHFFFAOYSA-N 2 0 257.381 2.760 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000358307322 394102980 /nfs/dbraw/zinc/10/29/80/394102980.db2.gz WSKXJJQSJGZKLH-IDTSGUGQSA-N 2 0 270.420 2.502 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc(C)cs2)[C@H](C)C1 ZINC000128677056 394074103 /nfs/dbraw/zinc/07/41/03/394074103.db2.gz DTDQTZICNFABST-YPMHNXCESA-N 2 0 267.442 2.614 20 0 CFADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH3+] ZINC000437793907 394076290 /nfs/dbraw/zinc/07/62/90/394076290.db2.gz BYTFOGXVOZJIOB-NSHDSACASA-N 2 0 274.330 2.965 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000356842680 394081308 /nfs/dbraw/zinc/08/13/08/394081308.db2.gz LGDKDSZHXYKVSU-BRWVUGGUSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(O)CCC(C)CC2)C[C@@H]1C ZINC000438820401 394082139 /nfs/dbraw/zinc/08/21/39/394082139.db2.gz PMQWJIDFWORUPC-YZUHTNEWSA-N 2 0 282.472 2.732 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000356981727 394082955 /nfs/dbraw/zinc/08/29/55/394082955.db2.gz RVFQJJGIAUTBNO-AEFFLSMTSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCOC2CCCCC2)CC[N@@H+]1C ZINC000129827087 394095236 /nfs/dbraw/zinc/09/52/36/394095236.db2.gz XPOMHJIRSFJQQS-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281933143 394097609 /nfs/dbraw/zinc/09/76/09/394097609.db2.gz KMRIZEPUGIZAOE-CQSZACIVSA-N 2 0 285.435 2.955 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000353524074 394031372 /nfs/dbraw/zinc/03/13/72/394031372.db2.gz ZQLGDPGKQJYSKK-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP CCCC[C@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126650820 394033366 /nfs/dbraw/zinc/03/33/66/394033366.db2.gz RMONXBWCHVSGQJ-WZYMTQMTSA-N 2 0 268.445 2.797 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000419224600 394034295 /nfs/dbraw/zinc/03/42/95/394034295.db2.gz ZPPPCWBFVXVNRP-DLBZAZTESA-N 2 0 282.472 2.855 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000419234724 394034766 /nfs/dbraw/zinc/03/47/66/394034766.db2.gz IIECDUXCESTAOY-KBAYOESNSA-N 2 0 294.483 2.996 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000358670123 394110637 /nfs/dbraw/zinc/11/06/37/394110637.db2.gz VETUYSHWHVJNLS-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCCN1CCCc1ccsc1 ZINC000420275523 394112677 /nfs/dbraw/zinc/11/26/77/394112677.db2.gz QMIHRNVKSNPECA-JSGCOSHPSA-N 2 0 252.427 2.882 20 0 CFADRP Cc1cc(N(C)CC[NH3+])c2cc(Cl)cc(C)c2[nH+]1 ZINC000420286061 394117367 /nfs/dbraw/zinc/11/73/67/394117367.db2.gz PUVRZQYOPCPDKD-UHFFFAOYSA-N 2 0 263.772 2.900 20 0 CFADRP C(CN1CC[NH+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000359221981 394127566 /nfs/dbraw/zinc/12/75/66/394127566.db2.gz OZKYGMYKUKDCGO-UHFFFAOYSA-N 2 0 293.499 2.574 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000360058108 394144760 /nfs/dbraw/zinc/14/47/60/394144760.db2.gz LFPFWYCLTVDGGD-OAHLLOKOSA-N 2 0 296.455 2.525 20 0 CFADRP CC[C@H](C)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976416 394146074 /nfs/dbraw/zinc/14/60/74/394146074.db2.gz GZFSIDWRYJQRIG-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@@H]1C[C@H](C)C[NH+]1CC(O)C[N@H+]1C[C@@H](C)C[C@H]1CC ZINC000447316681 394150996 /nfs/dbraw/zinc/15/09/96/394150996.db2.gz ZXZZMYMELWAFEA-CAOSSQGBSA-N 2 0 282.472 2.588 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC(C)(C)C ZINC000449223016 394256886 /nfs/dbraw/zinc/25/68/86/394256886.db2.gz NLANPGPFCYYUDR-UONOGXRCSA-N 2 0 258.450 2.758 20 0 CFADRP CC(C)N(C)CC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449111148 394216519 /nfs/dbraw/zinc/21/65/19/394216519.db2.gz JLNOSSXZIXWBAP-GFCCVEGCSA-N 2 0 270.367 2.998 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000449130663 394222857 /nfs/dbraw/zinc/22/28/57/394222857.db2.gz ZYRLVYRNVGAURH-FZMZJTMJSA-N 2 0 277.412 2.669 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449131332 394223912 /nfs/dbraw/zinc/22/39/12/394223912.db2.gz LWVXBFXEXUWSHS-FUHWJXTLSA-N 2 0 295.515 2.818 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000449135826 394225448 /nfs/dbraw/zinc/22/54/48/394225448.db2.gz RQDXVOWZNVZYAG-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000449149147 394230689 /nfs/dbraw/zinc/23/06/89/394230689.db2.gz MFOZCPKBQXLAMW-LSDHHAIUSA-N 2 0 270.461 2.638 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422900274 394258124 /nfs/dbraw/zinc/25/81/24/394258124.db2.gz AHQHEOFDZBNRAT-IKGGRYGDSA-N 2 0 295.515 2.994 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000449156202 394233114 /nfs/dbraw/zinc/23/31/14/394233114.db2.gz CYKCVJQGHAERPE-KYHPRHEASA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCC1 ZINC000449156465 394233290 /nfs/dbraw/zinc/23/32/90/394233290.db2.gz DJLDUOCEAGARET-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000422752291 394253878 /nfs/dbraw/zinc/25/38/78/394253878.db2.gz CMQIARDRDFMRJW-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422761615 394253989 /nfs/dbraw/zinc/25/39/89/394253989.db2.gz MYSBQBDLKLFIHG-HRCADAONSA-N 2 0 291.414 2.572 20 0 CFADRP C[C@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422753189 394254354 /nfs/dbraw/zinc/25/43/54/394254354.db2.gz FTKRBZNXMIWUOA-PMPSAXMXSA-N 2 0 281.488 2.617 20 0 CFADRP CCOCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449217991 394254837 /nfs/dbraw/zinc/25/48/37/394254837.db2.gz DOBGUJVBZKTSPP-INIZCTEOSA-N 2 0 290.451 2.708 20 0 CFADRP Cc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775205 394255060 /nfs/dbraw/zinc/25/50/60/394255060.db2.gz ANSFONZVBVINMG-RYQLBKOJSA-N 2 0 289.467 2.718 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]2CCCO[C@@H]21 ZINC000422776039 394255246 /nfs/dbraw/zinc/25/52/46/394255246.db2.gz BYPMWFZOPCNLFA-SIRPWMCASA-N 2 0 286.419 2.924 20 0 CFADRP CC[C@@H](NC[C@@H](c1ccco1)[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422978568 394260241 /nfs/dbraw/zinc/26/02/41/394260241.db2.gz ZPRUXDQEAUBERM-PMPSAXMXSA-N 2 0 293.455 2.783 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423012204 394260784 /nfs/dbraw/zinc/26/07/84/394260784.db2.gz KHBQSCGRAQLYPX-WBAXXEDZSA-N 2 0 290.451 2.994 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)s1 ZINC000151881184 394264599 /nfs/dbraw/zinc/26/45/99/394264599.db2.gz WIYBOZVUNGPUNS-CYBMUJFWSA-N 2 0 296.480 2.665 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368009983 394264882 /nfs/dbraw/zinc/26/48/82/394264882.db2.gz YWCNWXWQIWLMPZ-YESZJQIVSA-N 2 0 295.515 2.959 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423076221 394265094 /nfs/dbraw/zinc/26/50/94/394265094.db2.gz YQLIEELXFQNJEA-ZKLCHKPXSA-N 2 0 280.456 2.702 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])CCC(F)(F)F ZINC000423080508 394265989 /nfs/dbraw/zinc/26/59/89/394265989.db2.gz SQLPOFJYYUBISM-CHWSQXEVSA-N 2 0 295.393 2.510 20 0 CFADRP CCO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423085286 394266972 /nfs/dbraw/zinc/26/69/72/394266972.db2.gz JRWJBBUBNJLCCS-FCLJQHQZSA-N 2 0 274.408 2.637 20 0 CFADRP c1ccc(N2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000423085582 394267799 /nfs/dbraw/zinc/26/77/99/394267799.db2.gz KVNQCYVEPBHHGY-HRBLRVMOSA-N 2 0 299.462 2.776 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423088777 394268545 /nfs/dbraw/zinc/26/85/45/394268545.db2.gz SRTSEQOHSOEVFC-VXGBXAGGSA-N 2 0 259.397 2.702 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000423092957 394269607 /nfs/dbraw/zinc/26/96/07/394269607.db2.gz FAGUBQKJIXWILE-NWCWSAAOSA-N 2 0 294.483 2.805 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423091074 394269719 /nfs/dbraw/zinc/26/97/19/394269719.db2.gz ZDOSMMNWQLKAQX-LBPRGKRZSA-N 2 0 259.397 2.704 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC[N@@H+]1C ZINC000152093125 394270281 /nfs/dbraw/zinc/27/02/81/394270281.db2.gz UUSYBJIHBDCZSJ-YJBOKZPZSA-N 3 0 298.434 2.504 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423093135 394270337 /nfs/dbraw/zinc/27/03/37/394270337.db2.gz FXQLHIYAHGQSLZ-JUDXGUMMSA-N 2 0 266.335 2.680 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423118294 394270348 /nfs/dbraw/zinc/27/03/48/394270348.db2.gz ZVYQLTVUCYWRHY-UPJWGTAASA-N 2 0 260.372 2.790 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423167352 394271992 /nfs/dbraw/zinc/27/19/92/394271992.db2.gz SHXIKFUHDSLBKC-KLHDSHLOSA-N 2 0 260.381 2.678 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@@H]3CN(C)C[C@@H]3C)CC2)c(C)c1 ZINC000449378585 394274906 /nfs/dbraw/zinc/27/49/06/394274906.db2.gz RJLNGBTVRXNWQD-DOTOQJQBSA-N 2 0 272.436 2.875 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423253680 394274975 /nfs/dbraw/zinc/27/49/75/394274975.db2.gz ZHUIQNZOPZUYKK-XOKHGSTOSA-N 2 0 275.440 2.540 20 0 CFADRP C[N@@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423354860 394277521 /nfs/dbraw/zinc/27/75/21/394277521.db2.gz HHSSZOZVNHYDJM-KURKYZTESA-N 2 0 287.451 2.554 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349104 394277701 /nfs/dbraw/zinc/27/77/01/394277701.db2.gz VDBWUDIYNSUECJ-HZPDHXFCSA-N 2 0 261.413 2.758 20 0 CFADRP C[N@@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423355072 394278508 /nfs/dbraw/zinc/27/85/08/394278508.db2.gz HHSSZOZVNHYDJM-KZNAEPCWSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423365955 394279019 /nfs/dbraw/zinc/27/90/19/394279019.db2.gz KYBKICKTIFQEBT-SOUVJXGZSA-N 2 0 284.407 2.793 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000423387459 394279531 /nfs/dbraw/zinc/27/95/31/394279531.db2.gz MVVZPOBQTRBROH-SRVKXCTJSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423393140 394279609 /nfs/dbraw/zinc/27/96/09/394279609.db2.gz QLPOMHDXFZXPHP-IUIKQTSFSA-N 2 0 260.381 2.637 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(F)F)[C@@H](C)C1 ZINC000450759952 394336357 /nfs/dbraw/zinc/33/63/57/394336357.db2.gz PZVXVHKWDYJMDL-KBPBESRZSA-N 2 0 292.414 2.758 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423474875 394283441 /nfs/dbraw/zinc/28/34/41/394283441.db2.gz HTTLEHBZWBKJAY-GOEBONIOSA-N 2 0 262.372 2.935 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000423484219 394283508 /nfs/dbraw/zinc/28/35/08/394283508.db2.gz ZZUHRAGGBHWKDR-JZAWBGDQSA-N 2 0 280.456 2.689 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@H]1CCCOC1 ZINC000423503213 394284398 /nfs/dbraw/zinc/28/43/98/394284398.db2.gz FUCFXUFVZYDELF-BHYGNILZSA-N 2 0 276.424 2.871 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1F ZINC000423514547 394287183 /nfs/dbraw/zinc/28/71/83/394287183.db2.gz SJRHYCHQRXCSMQ-GMXVVIOVSA-N 2 0 266.360 2.612 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCOC1 ZINC000423514408 394287291 /nfs/dbraw/zinc/28/72/91/394287291.db2.gz WMALPSRGYXKUJA-IXDOHACOSA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000423516983 394288079 /nfs/dbraw/zinc/28/80/79/394288079.db2.gz UHWXKDWZHNSTBA-QGPMSJSTSA-N 2 0 281.403 2.888 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423516123 394288581 /nfs/dbraw/zinc/28/85/81/394288581.db2.gz ATMNLAFICPSNAZ-ZBEGNZNMSA-N 2 0 262.372 2.791 20 0 CFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000423522692 394288870 /nfs/dbraw/zinc/28/88/70/394288870.db2.gz XYZPSJZKSOOBCR-RANZSIQMSA-N 2 0 287.451 2.539 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000423523855 394290617 /nfs/dbraw/zinc/29/06/17/394290617.db2.gz IVVOUOAXGZEMTK-OAHLLOKOSA-N 2 0 290.407 2.641 20 0 CFADRP CC1CC[NH+](CCN2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000153757092 394291187 /nfs/dbraw/zinc/29/11/87/394291187.db2.gz FVRKVBIOBVHJJL-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC)cc1 ZINC000423528476 394291510 /nfs/dbraw/zinc/29/15/10/394291510.db2.gz OIXUGQWAPBLURX-INIZCTEOSA-N 2 0 262.397 2.878 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCCC2 ZINC000423535218 394292959 /nfs/dbraw/zinc/29/29/59/394292959.db2.gz CJJHKEDOVCOCSJ-HZPDHXFCSA-N 2 0 278.440 2.624 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423535147 394293043 /nfs/dbraw/zinc/29/30/43/394293043.db2.gz CDRKSHMROMSJBC-MRXNPFEDSA-N 2 0 259.397 2.678 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423540355 394293755 /nfs/dbraw/zinc/29/37/55/394293755.db2.gz DKDLGGYMCGDBQA-AVRGHOLYSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539329 394294124 /nfs/dbraw/zinc/29/41/24/394294124.db2.gz BFSVFXQHOVCDHF-BZZMCLGOSA-N 2 0 287.451 2.771 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539358 394294295 /nfs/dbraw/zinc/29/42/95/394294295.db2.gz IEOBHSLZUAMIAU-QNWHQSFQSA-N 2 0 280.437 2.795 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423542274 394294732 /nfs/dbraw/zinc/29/47/32/394294732.db2.gz ARGBBSCYIMNBRF-CQSZACIVSA-N 2 0 274.408 2.526 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(F)c1 ZINC000423548586 394295692 /nfs/dbraw/zinc/29/56/92/394295692.db2.gz GVTPZQIEEGYWRG-LBPRGKRZSA-N 2 0 278.371 2.795 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C12CCCCC2 ZINC000423545015 394295719 /nfs/dbraw/zinc/29/57/19/394295719.db2.gz DLIOTLFUQZANAB-HOTGVXAUSA-N 2 0 280.456 2.846 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CCC[NH2+]C3CC3)C2)c1 ZINC000423553057 394296450 /nfs/dbraw/zinc/29/64/50/394296450.db2.gz KEMZUMVHLFPEJW-RHSMWYFYSA-N 2 0 273.424 2.840 20 0 CFADRP c1cncc([C@H]([NH2+]CCC[NH2+]C2CC2)C2CCC2)c1 ZINC000423555253 394297303 /nfs/dbraw/zinc/29/73/03/394297303.db2.gz MCPFDZPWMMUYLG-MRXNPFEDSA-N 2 0 259.397 2.655 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000423556262 394297410 /nfs/dbraw/zinc/29/74/10/394297410.db2.gz YTXBYFDRPXMRQR-RFQIPJPRSA-N 2 0 292.398 2.873 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423568537 394297801 /nfs/dbraw/zinc/29/78/01/394297801.db2.gz VMFAWTYXEDTJRS-CQSZACIVSA-N 2 0 278.371 2.553 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000423566283 394298039 /nfs/dbraw/zinc/29/80/39/394298039.db2.gz TYRAFDYRWWGTEF-JYJNAYRXSA-N 2 0 296.455 2.620 20 0 CFADRP C[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)C[C@@H]1c1ccccc1 ZINC000423564728 394298257 /nfs/dbraw/zinc/29/82/57/394298257.db2.gz SBNFXSCQIGSTGG-ZWKOTPCHSA-N 2 0 287.451 2.554 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423563324 394298324 /nfs/dbraw/zinc/29/83/24/394298324.db2.gz XGWAGXMQKKCBLM-MJBXVCDLSA-N 2 0 268.470 2.627 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423572624 394299221 /nfs/dbraw/zinc/29/92/21/394299221.db2.gz YKIHAZCOLZODTC-RCCFBDPRSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423570693 394299312 /nfs/dbraw/zinc/29/93/12/394299312.db2.gz WXDVDWKUEFBLHM-NSHDSACASA-N 2 0 266.335 2.925 20 0 CFADRP C[N@@H+](Cc1ccn(-c2ccccc2)n1)CC1CC[NH+](C)CC1 ZINC000154689116 394299617 /nfs/dbraw/zinc/29/96/17/394299617.db2.gz VIVWUKNYTSXYAC-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000154915977 394305195 /nfs/dbraw/zinc/30/51/95/394305195.db2.gz QPKPJFCWUQLKQL-AEFFLSMTSA-N 2 0 289.467 2.672 20 0 CFADRP CCC(CC)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372056276 394305315 /nfs/dbraw/zinc/30/53/15/394305315.db2.gz LHJVRNUQZNJETJ-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)C[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450650549 394309794 /nfs/dbraw/zinc/30/97/94/394309794.db2.gz KIHSSIKUCJHXFK-HZPDHXFCSA-N 2 0 281.488 2.521 20 0 CFADRP c1ccc(COC2CC([NH2+]CCC[NH+]3CCCC3)C2)cc1 ZINC000493890963 394335392 /nfs/dbraw/zinc/33/53/92/394335392.db2.gz IVSRTYGAZWJWQC-UHFFFAOYSA-N 2 0 288.435 2.810 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000423779725 394317975 /nfs/dbraw/zinc/31/79/75/394317975.db2.gz FULXOXBFLFRBBC-CJNGLKHVSA-N 2 0 291.439 2.615 20 0 CFADRP COCC(C)(C)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000494191869 394343544 /nfs/dbraw/zinc/34/35/44/394343544.db2.gz MLXHIZDEIRZJOJ-UHFFFAOYSA-N 2 0 282.403 2.650 20 0 CFADRP CCCc1csc(C[NH2+]CCCC[NH+](C)C)n1 ZINC000494358002 394350748 /nfs/dbraw/zinc/35/07/48/394350748.db2.gz MKPJVSRIOMYMPA-UHFFFAOYSA-N 2 0 255.431 2.527 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000158166335 394355140 /nfs/dbraw/zinc/35/51/40/394355140.db2.gz CTFCYAWSAQTALC-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000451094352 394356884 /nfs/dbraw/zinc/35/68/84/394356884.db2.gz PMAVIFPRRQTPGE-FUHWJXTLSA-N 2 0 293.499 2.665 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000451094354 394357054 /nfs/dbraw/zinc/35/70/54/394357054.db2.gz PMAVIFPRRQTPGE-WMZOPIPTSA-N 2 0 293.499 2.665 20 0 CFADRP Fc1cncc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000494573215 394358478 /nfs/dbraw/zinc/35/84/78/394358478.db2.gz DKRPYYQKSQHXOF-UHFFFAOYSA-N 2 0 279.403 2.967 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000159060457 394363116 /nfs/dbraw/zinc/36/31/16/394363116.db2.gz SUJCUNCXHQJGJD-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H]2CCC[C@@H]21 ZINC000453383788 394393541 /nfs/dbraw/zinc/39/35/41/394393541.db2.gz MOURHLMRGNLXBG-PMPSAXMXSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000451847106 394377799 /nfs/dbraw/zinc/37/77/99/394377799.db2.gz SFDFRONPZZTINB-DLBZAZTESA-N 2 0 281.488 2.665 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1O ZINC000453386136 394394220 /nfs/dbraw/zinc/39/42/20/394394220.db2.gz ADKUYFJFNDKYTF-CYBMUJFWSA-N 2 0 292.423 2.926 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCn2ccnc21 ZINC000453056159 394381413 /nfs/dbraw/zinc/38/14/13/394381413.db2.gz GBAJPYQNZYMADQ-GJZGRUSLSA-N 2 0 276.428 2.572 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c2nccn21 ZINC000453070035 394381422 /nfs/dbraw/zinc/38/14/22/394381422.db2.gz ZTLSBQZFCYTJGW-BZUAXINKSA-N 2 0 290.455 2.991 20 0 CFADRP FCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453231419 394382656 /nfs/dbraw/zinc/38/26/56/394382656.db2.gz YFGRHQAQSNYVRR-GVDBMIGSSA-N 2 0 276.399 2.989 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453306911 394383913 /nfs/dbraw/zinc/38/39/13/394383913.db2.gz KJXVEUPELGYEEE-JQHSSLGASA-N 2 0 287.451 2.785 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000525870124 394384062 /nfs/dbraw/zinc/38/40/62/394384062.db2.gz PHLHPTPDUAJEDN-MRXNPFEDSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)C1 ZINC000453405645 394398274 /nfs/dbraw/zinc/39/82/74/394398274.db2.gz JQTZTLLLQUFHSU-XLNGHYISSA-N 2 0 280.456 2.533 20 0 CFADRP COC(=O)c1coc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453408845 394398691 /nfs/dbraw/zinc/39/86/91/394398691.db2.gz TYDPRJWFMMEZKO-GFCCVEGCSA-N 2 0 294.395 2.591 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cncc(F)c1 ZINC000453409490 394399327 /nfs/dbraw/zinc/39/93/27/394399327.db2.gz UJUDMBNDQFTFCE-LBPRGKRZSA-N 2 0 265.376 2.746 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000685455686 542916767 /nfs/dbraw/zinc/91/67/67/542916767.db2.gz KDSAQNJLOCEGKV-LSDHHAIUSA-N 2 0 297.446 2.955 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3[nH]nc4ccccc43)C2)CC1 ZINC000685463099 542919472 /nfs/dbraw/zinc/91/94/72/542919472.db2.gz DAZITHUWIVMVCE-HNNXBMFYSA-N 2 0 298.434 2.727 20 0 CFADRP C[C@H](CF)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000685473391 542921632 /nfs/dbraw/zinc/92/16/32/542921632.db2.gz STVHZALYKOSBQW-UMVBOHGHSA-N 2 0 256.409 2.977 20 0 CFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000528004589 394437932 /nfs/dbraw/zinc/43/79/32/394437932.db2.gz QZMLHUHOAJLLIO-QVHKTLOISA-N 2 0 268.445 2.651 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CC(F)(F)C1 ZINC000529611483 394415810 /nfs/dbraw/zinc/41/58/10/394415810.db2.gz MNKRBWROYHDJDI-QFWMXSHPSA-N 2 0 260.372 2.883 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CC12CC2)C[NH+]1CCCCC1 ZINC000527847514 394416508 /nfs/dbraw/zinc/41/65/08/394416508.db2.gz HZSNMHANEKTNMV-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527854103 394417421 /nfs/dbraw/zinc/41/74/21/394417421.db2.gz WDFTUTBJYQTCKI-ZFWWWQNUSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)c1 ZINC000527869589 394419127 /nfs/dbraw/zinc/41/91/27/394419127.db2.gz RLOHEFZWBAYLIQ-QGZVFWFLSA-N 2 0 290.451 2.738 20 0 CFADRP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCN1C1CCCCC1 ZINC000527947033 394430092 /nfs/dbraw/zinc/43/00/92/394430092.db2.gz JMUOLIXPSLBRIF-SJORKVTESA-N 2 0 292.467 2.942 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527979566 394434963 /nfs/dbraw/zinc/43/49/63/394434963.db2.gz HPFWCQSXZAKEOI-JWFMREHNSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207867 394479750 /nfs/dbraw/zinc/47/97/50/394479750.db2.gz DXOOPSUXXWXLIN-VUCTXSBTSA-N 2 0 280.456 2.545 20 0 CFADRP CC(C)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000530214098 394482821 /nfs/dbraw/zinc/48/28/21/394482821.db2.gz XTMUADKRYIXHQU-ZTFGCOKTSA-N 2 0 290.451 2.727 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530217165 394484724 /nfs/dbraw/zinc/48/47/24/394484724.db2.gz SCPWADVBQNHHAC-GRYCIOLGSA-N 2 0 276.346 2.982 20 0 CFADRP Clc1cccnc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000530225379 394490125 /nfs/dbraw/zinc/49/01/25/394490125.db2.gz YWURDDLFJQFZLX-CYBMUJFWSA-N 2 0 279.815 2.557 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000530226903 394490452 /nfs/dbraw/zinc/49/04/52/394490452.db2.gz ZNDIUFFLMDATFE-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ncccc1Cl)CC[NH2+]CC2 ZINC000530227431 394492243 /nfs/dbraw/zinc/49/22/43/394492243.db2.gz XMSVHSULMHIBEK-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000530238198 394494343 /nfs/dbraw/zinc/49/43/43/394494343.db2.gz LNPZZWJYJLGNSY-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000530249046 394496646 /nfs/dbraw/zinc/49/66/46/394496646.db2.gz SYYNPGKUEBPLLM-GDBMZVCRSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1cccs1 ZINC000539067366 394622139 /nfs/dbraw/zinc/62/21/39/394622139.db2.gz SANTVDSTMBCFJW-JSGCOSHPSA-N 2 0 252.427 2.611 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000539834439 394636517 /nfs/dbraw/zinc/63/65/17/394636517.db2.gz BVWWGGLVBCTNDQ-SOUVJXGZSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000540744226 394652479 /nfs/dbraw/zinc/65/24/79/394652479.db2.gz CTXKDFSGBBVYKU-RHSMWYFYSA-N 2 0 275.440 2.809 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000542464630 394704135 /nfs/dbraw/zinc/70/41/35/394704135.db2.gz CNGXJLGOKVJADP-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](Cc1ccsc1)[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000543056908 394720882 /nfs/dbraw/zinc/72/08/82/394720882.db2.gz DUBPHKBJAPBYDW-HIFRSBDPSA-N 2 0 266.454 2.953 20 0 CFADRP C[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO[C@@H]1C1CC1 ZINC000546648975 394835622 /nfs/dbraw/zinc/83/56/22/394835622.db2.gz PRMUWLXDSGGZJM-MSOLQXFVSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(C)C ZINC000166110058 542953742 /nfs/dbraw/zinc/95/37/42/542953742.db2.gz KWLSFCNYEPHRTR-KURKYZTESA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000547829910 394894391 /nfs/dbraw/zinc/89/43/91/394894391.db2.gz IRKSJJOOEXNBMP-JTQLQIEISA-N 2 0 264.335 2.649 20 0 CFADRP CCCC[C@H](CC)CC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000536129646 542965130 /nfs/dbraw/zinc/96/51/30/542965130.db2.gz QXAIZAKDWNFGFQ-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@H](O)C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000548066522 394908287 /nfs/dbraw/zinc/90/82/87/394908287.db2.gz OIRSWLPIPMSCBQ-QGZVFWFLSA-N 2 0 290.451 2.745 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC(C(C)C)C(C)C)CC1 ZINC000556404330 395001101 /nfs/dbraw/zinc/00/11/01/395001101.db2.gz KGHIXBYOTIFJLK-MRXNPFEDSA-N 2 0 283.504 2.530 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000556939365 395026029 /nfs/dbraw/zinc/02/60/29/395026029.db2.gz YDFCPJVAUBLSER-GOSISDBHSA-N 2 0 298.434 2.864 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccc(F)cc1 ZINC000166724425 542967364 /nfs/dbraw/zinc/96/73/64/542967364.db2.gz KYEKGEFVGLINOX-VNQPRFMTSA-N 2 0 292.398 2.809 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000557171579 395032000 /nfs/dbraw/zinc/03/20/00/395032000.db2.gz VLWNVQXKXYCBQZ-CJNGLKHVSA-N 2 0 297.402 2.605 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000557171580 395032241 /nfs/dbraw/zinc/03/22/41/395032241.db2.gz VLWNVQXKXYCBQZ-CZUORRHYSA-N 2 0 297.402 2.605 20 0 CFADRP COc1ccc([C@@H](C)C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000179727654 543008179 /nfs/dbraw/zinc/00/81/79/543008179.db2.gz UIFJVADBAZCVHT-AWEZNQCLSA-N 2 0 276.424 2.825 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)o1 ZINC000647148738 395179929 /nfs/dbraw/zinc/17/99/29/395179929.db2.gz WEIXKLSFZPPDJM-LBPRGKRZSA-N 2 0 290.367 2.596 20 0 CFADRP [NH3+][C@H](CCc1nc([C@@H]2CCC[NH2+]2)no1)CC1CCCCC1 ZINC000647144352 395174000 /nfs/dbraw/zinc/17/40/00/395174000.db2.gz VBTFQTQATVTCAW-KGLIPLIRSA-N 2 0 292.427 2.724 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000647214975 395231468 /nfs/dbraw/zinc/23/14/68/395231468.db2.gz AFYXQJBYXGBYAB-UHFFFAOYSA-N 2 0 280.460 2.749 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)CC(F)F ZINC000647226575 395239160 /nfs/dbraw/zinc/23/91/60/395239160.db2.gz MOCJOWKDUYQCNC-NSHDSACASA-N 2 0 294.349 2.957 20 0 CFADRP C[C@H](C[NH2+]C1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC000647172792 395198646 /nfs/dbraw/zinc/19/86/46/395198646.db2.gz IVCBSGYGDJPUBQ-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1 ZINC000647176311 395201711 /nfs/dbraw/zinc/20/17/11/395201711.db2.gz BDDPRGSFOWSFEH-YOEHRIQHSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccncc1 ZINC000647304337 395281371 /nfs/dbraw/zinc/28/13/71/395281371.db2.gz HRBXDLHGUPNMIU-GDBMZVCRSA-N 2 0 263.429 2.956 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H](C)C1 ZINC000648817845 395325696 /nfs/dbraw/zinc/32/56/96/395325696.db2.gz DOLOFRQIQQFWHA-GFJIZPEISA-N 2 0 290.398 2.857 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000647342592 395305351 /nfs/dbraw/zinc/30/53/51/395305351.db2.gz SZOORGGRLXDDPF-APIJFGDWSA-N 2 0 268.445 2.652 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)CC2CC[NH2+]CC2)cn1 ZINC000647369080 395317856 /nfs/dbraw/zinc/31/78/56/395317856.db2.gz GUNHBDZJIWWJPZ-UHFFFAOYSA-N 2 0 273.424 2.602 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]CC2(C)CC2)[C@H](c2ccccc2)C1 ZINC000647249152 395255327 /nfs/dbraw/zinc/25/53/27/395255327.db2.gz FMPWJPFTMDVFJH-CVEARBPZSA-N 2 0 258.409 2.722 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H]2CCSC2)[C@H](c2ccccc2)C1 ZINC000647249116 395255396 /nfs/dbraw/zinc/25/53/96/395255396.db2.gz BVUFOIZWSJAINV-UAGQMJEPSA-N 2 0 290.476 2.675 20 0 CFADRP FC1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000647252805 395258408 /nfs/dbraw/zinc/25/84/08/395258408.db2.gz WFMAIHARTCPGLG-WUCCLRPBSA-N 2 0 254.393 2.731 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCS[C@H]1C ZINC000647258381 395262112 /nfs/dbraw/zinc/26/21/12/395262112.db2.gz BKZJUYMEQUEQHS-WFASDCNBSA-N 2 0 288.420 2.559 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479285 395353792 /nfs/dbraw/zinc/35/37/92/395353792.db2.gz AMHMXCPFIVGTDJ-ZWKOTPCHSA-N 2 0 287.451 2.787 20 0 CFADRP Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)s1 ZINC000647482807 395355060 /nfs/dbraw/zinc/35/50/60/395355060.db2.gz AKLJNULOODAFOE-UHFFFAOYSA-N 2 0 250.411 2.773 20 0 CFADRP C(c1nc2c(s1)CCC2)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647483265 395357563 /nfs/dbraw/zinc/35/75/63/395357563.db2.gz MTZCKNZYFNVVTH-ZDUSSCGKSA-N 2 0 291.464 2.596 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000647496534 395358787 /nfs/dbraw/zinc/35/87/87/395358787.db2.gz RNYYCTPSEJCNCV-VXGBXAGGSA-N 2 0 279.453 2.581 20 0 CFADRP C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)[C@@H]1C[NH3+] ZINC000647496709 395359106 /nfs/dbraw/zinc/35/91/06/395359106.db2.gz DCLPHBUBRBFCPH-RHSMWYFYSA-N 2 0 296.418 2.703 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000647497477 395360142 /nfs/dbraw/zinc/36/01/42/395360142.db2.gz JGWKHULFCDPCFX-DJIMGWMZSA-N 2 0 260.425 2.924 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(C)c(OC)c(C)c2)CC[C@H]1[NH3+] ZINC000647499022 395363654 /nfs/dbraw/zinc/36/36/54/395363654.db2.gz XAALRGXCCOZUNX-HZPDHXFCSA-N 2 0 276.424 2.871 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000647498886 395364891 /nfs/dbraw/zinc/36/48/91/395364891.db2.gz SOJSHFCAHPCYNR-OCCSQVGLSA-N 2 0 284.350 2.847 20 0 CFADRP C[N@H+](Cc1nccc2ccccc21)CC(C)(C)C[NH3+] ZINC000647505702 395366016 /nfs/dbraw/zinc/36/60/16/395366016.db2.gz WMWNBZPRKVTCCP-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nccc4ccccc43)C[C@@H]21 ZINC000647511988 395366963 /nfs/dbraw/zinc/36/69/63/395366963.db2.gz XHLDQGFLIUGEKP-HYVNUMGLSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000647535629 395381134 /nfs/dbraw/zinc/38/11/34/395381134.db2.gz BGUJKYVHJWPYCC-JTQLQIEISA-N 2 0 258.818 2.962 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542684 395384208 /nfs/dbraw/zinc/38/42/08/395384208.db2.gz AAXAOXBNTSVIAG-JKSUJKDBSA-N 2 0 288.435 2.907 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542682 395384577 /nfs/dbraw/zinc/38/45/77/395384577.db2.gz AAXAOXBNTSVIAG-HOTGVXAUSA-N 2 0 288.435 2.907 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543304 395384756 /nfs/dbraw/zinc/38/47/56/395384756.db2.gz KWBSILAUBGHAIY-ZIAGYGMSSA-N 2 0 293.480 2.917 20 0 CFADRP CCCn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543627 395384834 /nfs/dbraw/zinc/38/48/34/395384834.db2.gz QLOFFQYCYUTSQR-IRXDYDNUSA-N 2 0 290.455 2.505 20 0 CFADRP c1nc2ccccn2c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544049 395385704 /nfs/dbraw/zinc/38/57/04/395385704.db2.gz VWUVKMBNRNGODB-CVEARBPZSA-N 2 0 298.434 2.546 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000647545476 395385961 /nfs/dbraw/zinc/38/59/61/395385961.db2.gz RPJSOQJIWSOCBK-HOTGVXAUSA-N 2 0 294.483 2.890 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647544388 395385979 /nfs/dbraw/zinc/38/59/79/395385979.db2.gz ZQZMSQIUIOQKRS-IAGOWNOFSA-N 2 0 290.455 2.676 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000647548506 395387070 /nfs/dbraw/zinc/38/70/70/395387070.db2.gz FCULTOOQPUTMPF-UMVBOHGHSA-N 2 0 296.817 2.999 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647548484 395387104 /nfs/dbraw/zinc/38/71/04/395387104.db2.gz CVIQRFPVPGDTJY-BRWVUGGUSA-N 2 0 294.483 2.951 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549316 395388512 /nfs/dbraw/zinc/38/85/12/395388512.db2.gz SNPSQVXFKTYIEI-IXYNUQLISA-N 2 0 292.398 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1cccs1 ZINC000647550347 395389238 /nfs/dbraw/zinc/38/92/38/395389238.db2.gz MPVWTWGJGZGYOI-BYNSBNAKSA-N 2 0 278.465 2.904 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549889 395389316 /nfs/dbraw/zinc/38/93/16/395389316.db2.gz WMEGMORBQQHECV-YESZJQIVSA-N 2 0 272.436 2.824 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000647549892 395389550 /nfs/dbraw/zinc/38/95/50/395389550.db2.gz WOOIETBCVCBPIG-OWLYRPNTSA-N 2 0 287.451 2.799 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000647552775 395391663 /nfs/dbraw/zinc/39/16/63/395391663.db2.gz WLZIVZOQUYJODB-UWVGGRQHSA-N 2 0 276.302 2.801 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000647553337 395392189 /nfs/dbraw/zinc/39/21/89/395392189.db2.gz UJRZSLQLWAMYBZ-OALUTQOASA-N 2 0 295.430 2.728 20 0 CFADRP CC1CC[NH+](CCNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647856895 395446447 /nfs/dbraw/zinc/44/64/47/395446447.db2.gz VKXQOHSXYLZBPB-UHFFFAOYSA-N 2 0 258.369 2.707 20 0 CFADRP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647874927 395448975 /nfs/dbraw/zinc/44/89/75/395448975.db2.gz KGUFRBJRRKUPSV-GFCCVEGCSA-N 2 0 288.313 2.627 20 0 CFADRP CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CC[NH2+]C1)CCC2 ZINC000647989644 395473579 /nfs/dbraw/zinc/47/35/79/395473579.db2.gz RDJCJARDCTZWGA-YPMHNXCESA-N 2 0 279.453 2.624 20 0 CFADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CC[NH2+]C1)CCC2 ZINC000647989642 395473605 /nfs/dbraw/zinc/47/36/05/395473605.db2.gz RDJCJARDCTZWGA-DGCLKSJQSA-N 2 0 279.453 2.624 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)[C@H](CCO)c1ccccc1 ZINC000647885795 395452475 /nfs/dbraw/zinc/45/24/75/395452475.db2.gz RAMZNWGSTVEEHH-GOSISDBHSA-N 2 0 290.451 2.822 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CCCC2CC[NH2+]CC2)C1(C)C ZINC000647886753 395453339 /nfs/dbraw/zinc/45/33/39/395453339.db2.gz QDAHLWVSLTYIIV-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP Fc1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647890022 395454033 /nfs/dbraw/zinc/45/40/33/395454033.db2.gz HWYIHEGJOHXVGX-BBRMVZONSA-N 2 0 262.372 2.962 20 0 CFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC(OCC2CC2)CC1 ZINC000647890002 395454179 /nfs/dbraw/zinc/45/41/79/395454179.db2.gz FGRMGTLDTHMNRL-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP CC1([NH3+])CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000647925397 395459467 /nfs/dbraw/zinc/45/94/67/395459467.db2.gz HKNSJXPFMGDWQI-UHFFFAOYSA-N 2 0 282.815 2.922 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000647936830 395461740 /nfs/dbraw/zinc/46/17/40/395461740.db2.gz LZHWGVNHXIOPQS-RLCCDNCMSA-N 2 0 262.372 2.872 20 0 CFADRP CC[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000647937347 395462290 /nfs/dbraw/zinc/46/22/90/395462290.db2.gz WHRSLGKQFFLTEL-XUWVNRHRSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CCCCC1 ZINC000647959862 395466822 /nfs/dbraw/zinc/46/68/22/395466822.db2.gz QVILYTGBYXDLTB-IRXDYDNUSA-N 2 0 282.472 2.732 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647995319 395474759 /nfs/dbraw/zinc/47/47/59/395474759.db2.gz NWKUNNJHJJWWSI-SOUVJXGZSA-N 2 0 250.430 2.744 20 0 CFADRP Cc1ccccc1C1([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000647995297 395474784 /nfs/dbraw/zinc/47/47/84/395474784.db2.gz MRXZVJOPBHGVTE-UHFFFAOYSA-N 2 0 258.409 2.963 20 0 CFADRP Fc1cccc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCC2)c1 ZINC000647996288 395474834 /nfs/dbraw/zinc/47/48/34/395474834.db2.gz NPHROZZKPXUHJL-ZDUSSCGKSA-N 2 0 262.372 2.794 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978594 395471557 /nfs/dbraw/zinc/47/15/57/395471557.db2.gz VGAHUBWPNSIFKI-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP c1ccc2nc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000647786124 395427851 /nfs/dbraw/zinc/42/78/51/395427851.db2.gz INIPDZKXPXNJHC-SOLBZPMBSA-N 2 0 295.430 2.755 20 0 CFADRP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647786187 395427996 /nfs/dbraw/zinc/42/79/96/395427996.db2.gz JYPSPOOHTKLAKP-JHJVBQTASA-N 2 0 293.480 2.918 20 0 CFADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786141 395428021 /nfs/dbraw/zinc/42/80/21/395428021.db2.gz JBOZOTNWZXGYKU-VNHYZAJKSA-N 2 0 294.826 2.697 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789003 395429031 /nfs/dbraw/zinc/42/90/31/395429031.db2.gz WQQQEGZMBCKZSO-BZUAXINKSA-N 2 0 297.402 2.819 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647793607 395430212 /nfs/dbraw/zinc/43/02/12/395430212.db2.gz BTZCYNAPNRXSOD-FIDHJVLJSA-N 2 0 280.456 2.558 20 0 CFADRP c1ccc(CC2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647792936 395430562 /nfs/dbraw/zinc/43/05/62/395430562.db2.gz FUEPINPJTPTEFL-FGTMMUONSA-N 2 0 284.447 2.987 20 0 CFADRP c1ccc(CC2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647792939 395430586 /nfs/dbraw/zinc/43/05/86/395430586.db2.gz FUEPINPJTPTEFL-RCCFBDPRSA-N 2 0 284.447 2.987 20 0 CFADRP Cc1csc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCC2)n1 ZINC000647792084 395430618 /nfs/dbraw/zinc/43/06/18/395430618.db2.gz SOUXKHOTGHVFQX-BFHYXJOUSA-N 2 0 291.464 2.808 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794335 395431189 /nfs/dbraw/zinc/43/11/89/395431189.db2.gz YJCCADWYIVWAEZ-SOUVJXGZSA-N 2 0 291.414 2.605 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647794044 395431424 /nfs/dbraw/zinc/43/14/24/395431424.db2.gz PLIWIAAISSXZHE-RBZJEDDUSA-N 2 0 280.456 2.558 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798062 395432516 /nfs/dbraw/zinc/43/25/16/395432516.db2.gz KNZFLYATDCHNSN-DGXTUMSLSA-N 2 0 250.430 2.790 20 0 CFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647796682 395432543 /nfs/dbraw/zinc/43/25/43/395432543.db2.gz JKBMBJBATKHIPP-XDQVBPFNSA-N 2 0 272.383 2.790 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796741 395432844 /nfs/dbraw/zinc/43/28/44/395432844.db2.gz LTVPZRRZSMODQY-OWCLPIDISA-N 2 0 276.399 2.736 20 0 CFADRP F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000647799765 395433398 /nfs/dbraw/zinc/43/33/98/395433398.db2.gz QFTSMMYYSQMVBX-CAEXGNQWSA-N 2 0 254.393 2.777 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1(C2CCC2)CCC1 ZINC000647799429 395433708 /nfs/dbraw/zinc/43/37/08/395433708.db2.gz GKKOPZWKNFJJQX-IJEWVQPXSA-N 2 0 262.441 2.935 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647800946 395434664 /nfs/dbraw/zinc/43/46/64/395434664.db2.gz MUWBBTFWZDYZLL-GFCCVEGCSA-N 2 0 282.815 2.673 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000647800721 395434742 /nfs/dbraw/zinc/43/47/42/395434742.db2.gz JLDGVKCZAFGXCV-NCOADZHNSA-N 2 0 258.409 2.910 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000647802843 395435502 /nfs/dbraw/zinc/43/55/02/395435502.db2.gz VNVXLWYLJCVZNL-MRXNPFEDSA-N 2 0 276.424 2.718 20 0 CFADRP C(C[NH2+][C@@H]1CCCC12CCOCC2)CC1CC[NH2+]CC1 ZINC000647802658 395435759 /nfs/dbraw/zinc/43/57/59/395435759.db2.gz SAFFTGLBWNRFCM-MRXNPFEDSA-N 2 0 280.456 2.705 20 0 CFADRP Clc1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814184 395438693 /nfs/dbraw/zinc/43/86/93/395438693.db2.gz BHIPGLIOILMYNU-UHFFFAOYSA-N 2 0 294.826 2.935 20 0 CFADRP CCc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814854 395439093 /nfs/dbraw/zinc/43/90/93/395439093.db2.gz IPROOMMVPLWEDZ-UHFFFAOYSA-N 2 0 258.409 2.965 20 0 CFADRP Cc1ccc(CC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815231 395439440 /nfs/dbraw/zinc/43/94/40/395439440.db2.gz VJEMDSJSUJQLLP-UHFFFAOYSA-N 2 0 258.409 2.754 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000036992588 543025404 /nfs/dbraw/zinc/02/54/04/543025404.db2.gz HUSWEQKZEKLQJV-CHWSQXEVSA-N 2 0 266.454 2.999 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1cccs1)C1CC[NH+](C)CC1 ZINC000036992587 543025428 /nfs/dbraw/zinc/02/54/28/543025428.db2.gz HUSWEQKZEKLQJV-QWHCGFSZSA-N 2 0 266.454 2.999 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2CC(C)C)C[C@H]1C ZINC000648010279 395479884 /nfs/dbraw/zinc/47/98/84/395479884.db2.gz TXIAEKUATKDCQK-CVEARBPZSA-N 2 0 292.471 2.844 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1ccnn1CC(C)C ZINC000648035972 395486290 /nfs/dbraw/zinc/48/62/90/395486290.db2.gz XIRLUCIHYYYNBN-UHFFFAOYSA-N 2 0 280.460 2.703 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000649411352 395488564 /nfs/dbraw/zinc/48/85/64/395488564.db2.gz LWBQLLMZMDJDSE-UHFFFAOYSA-N 3 0 281.488 2.571 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC2CC[NH2+]CC2)C[C@H]1C ZINC000649413843 395489509 /nfs/dbraw/zinc/48/95/09/395489509.db2.gz MQZDYOWLNUYNHP-NVXWUHKLSA-N 3 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CCN(CCCC2CC[NH2+]CC2)C2(CCCCC2)C1 ZINC000649414125 395489965 /nfs/dbraw/zinc/48/99/65/395489965.db2.gz GOJLIKJMRZDNBY-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)c2ccccc2n1 ZINC000649415993 395490188 /nfs/dbraw/zinc/49/01/88/395490188.db2.gz GSNFWFBGWBYEQF-UHFFFAOYSA-N 2 0 269.392 2.856 20 0 CFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(F)F ZINC000648052216 395491028 /nfs/dbraw/zinc/49/10/28/395491028.db2.gz VHEDSALILFNPHR-GFCCVEGCSA-N 2 0 283.366 2.931 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068430 395495995 /nfs/dbraw/zinc/49/59/95/395495995.db2.gz YEUBHNGELYXMPC-LLLHUVSDSA-N 2 0 258.409 2.577 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072006 395497352 /nfs/dbraw/zinc/49/73/52/395497352.db2.gz GRJMVXUKHQOTLZ-DOTOQJQBSA-N 2 0 292.467 2.775 20 0 CFADRP C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)C1CC[NH+](C)CC1 ZINC000037219913 543027434 /nfs/dbraw/zinc/02/74/34/543027434.db2.gz SPKMRUYITQLLLQ-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000037413536 543029535 /nfs/dbraw/zinc/02/95/35/543029535.db2.gz OPZDZGNSMFTTTR-OLZOCXBDSA-N 2 0 290.407 2.796 20 0 CFADRP CCOc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000037679516 543031082 /nfs/dbraw/zinc/03/10/82/543031082.db2.gz QFNOUTNXUOMOPM-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000037901166 543032356 /nfs/dbraw/zinc/03/23/56/543032356.db2.gz RVTVSXJBGJUPAA-MRXNPFEDSA-N 3 0 295.515 2.961 20 0 CFADRP COCc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000038010667 543033446 /nfs/dbraw/zinc/03/34/46/543033446.db2.gz GRKKJFZCQDRIIJ-CQSZACIVSA-N 2 0 276.424 2.653 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C[C@H](C)CC)CC[NH2+]CC1 ZINC000422919186 285666313 /nfs/dbraw/zinc/66/63/13/285666313.db2.gz JSYZSBYWVLWLLC-KFWWJZLASA-N 2 0 298.471 2.722 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000311599353 413089206 /nfs/dbraw/zinc/08/92/06/413089206.db2.gz CEPYLGGDZAYQMY-WFASDCNBSA-N 2 0 277.437 2.534 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135476 543098150 /nfs/dbraw/zinc/09/81/50/543098150.db2.gz FDGWRWUNYLZVJZ-YOEHRIQHSA-N 2 0 298.434 2.891 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000336785533 292077133 /nfs/dbraw/zinc/07/71/33/292077133.db2.gz DZBQFTCCCPQRHG-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336786112 292077539 /nfs/dbraw/zinc/07/75/39/292077539.db2.gz HAPNXTMBQFUBJD-KBPBESRZSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000315274708 413098708 /nfs/dbraw/zinc/09/87/08/413098708.db2.gz VDODTJGMXYFPLW-CALCHBBNSA-N 2 0 288.435 2.614 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000401004468 413160938 /nfs/dbraw/zinc/16/09/38/413160938.db2.gz CXAZLPXUUXCLIY-RBSFLKMASA-N 2 0 250.430 2.935 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)COC1CCCCC1 ZINC000401049866 413159341 /nfs/dbraw/zinc/15/93/41/413159341.db2.gz XQNJIJVBUFUQKQ-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401019740 413161596 /nfs/dbraw/zinc/16/15/96/413161596.db2.gz WUHIDMMADMBDIG-YNEHKIRRSA-N 2 0 294.826 2.826 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917689 397550850 /nfs/dbraw/zinc/55/08/50/397550850.db2.gz KUCWLLPJXHMZDT-AEFFLSMTSA-N 2 0 288.435 2.920 20 0 CFADRP CCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000037502436 397545438 /nfs/dbraw/zinc/54/54/38/397545438.db2.gz LCOSZPXGLFXSDK-UHFFFAOYSA-N 2 0 262.397 2.661 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC(F)(F)F ZINC000402627605 413172179 /nfs/dbraw/zinc/17/21/79/413172179.db2.gz XDHOLWQWGYTCEV-UMSGYPCISA-N 2 0 278.362 2.943 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347136075 397657317 /nfs/dbraw/zinc/65/73/17/397657317.db2.gz TXOSQLDKZSKMTE-HNNXBMFYSA-N 2 0 298.434 2.776 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000650757536 397885359 /nfs/dbraw/zinc/88/53/59/397885359.db2.gz ZBARCSNKQWHPHK-CQSZACIVSA-N 2 0 269.392 2.960 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccncc1 ZINC000650758420 397885373 /nfs/dbraw/zinc/88/53/73/397885373.db2.gz PEKVNXIBIMQNDF-ZDUSSCGKSA-N 2 0 255.365 2.652 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759989 397886019 /nfs/dbraw/zinc/88/60/19/397886019.db2.gz VBUBACGDMOJJTB-GZBFAFLISA-N 2 0 261.413 2.519 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759991 397886255 /nfs/dbraw/zinc/88/62/55/397886255.db2.gz VBUBACGDMOJJTB-YDHLFZDLSA-N 2 0 261.413 2.519 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759650 397886267 /nfs/dbraw/zinc/88/62/67/397886267.db2.gz NOJVGRQRZNKPTN-ARFHVFGLSA-N 2 0 273.424 2.520 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@H]1CCC[NH2+]1 ZINC000650760037 397886378 /nfs/dbraw/zinc/88/63/78/397886378.db2.gz VVKUDHHSWQRHRQ-NUEKZKHPSA-N 2 0 273.424 2.534 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(C)o1 ZINC000650762561 397887210 /nfs/dbraw/zinc/88/72/10/397887210.db2.gz DSNNNDDOCKLJRB-GFCCVEGCSA-N 2 0 250.386 2.937 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702953 397859475 /nfs/dbraw/zinc/85/94/75/397859475.db2.gz BITCELGHEAOIGY-AWEZNQCLSA-N 2 0 258.409 2.736 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703470 397859521 /nfs/dbraw/zinc/85/95/21/397859521.db2.gz AXEROPHATJVUFW-RHSMWYFYSA-N 2 0 258.409 2.782 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702954 397859801 /nfs/dbraw/zinc/85/98/01/397859801.db2.gz BITCELGHEAOIGY-CQSZACIVSA-N 2 0 258.409 2.736 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@@H]1[NH3+] ZINC000650703200 397859960 /nfs/dbraw/zinc/85/99/60/397859960.db2.gz OXKAZAXRSHGHJJ-DYVFJYSZSA-N 2 0 258.409 2.735 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650702695 397860024 /nfs/dbraw/zinc/86/00/24/397860024.db2.gz QBTOFZMIOQUMPB-UHFFFAOYSA-N 2 0 258.409 2.607 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000650705712 397860598 /nfs/dbraw/zinc/86/05/98/397860598.db2.gz STRFFMLKTPQKPJ-DJIMGWMZSA-N 2 0 292.398 2.544 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@@H]1C[NH3+] ZINC000650704361 397860705 /nfs/dbraw/zinc/86/07/05/397860705.db2.gz VHTUYDHUUCYODM-CJNGLKHVSA-N 2 0 258.409 2.592 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650762850 397887763 /nfs/dbraw/zinc/88/77/63/397887763.db2.gz LRGMAFHUEYPKPQ-QGZVFWFLSA-N 2 0 288.435 2.532 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)o1 ZINC000650763522 397887888 /nfs/dbraw/zinc/88/78/88/397887888.db2.gz CKAPLCOZELJKLK-GFCCVEGCSA-N 2 0 250.386 2.882 20 0 CFADRP CC[C@@H](OCC[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000650710332 397862614 /nfs/dbraw/zinc/86/26/14/397862614.db2.gz MKJKYYZSFYWVPE-IAGOWNOFSA-N 2 0 276.424 2.744 20 0 CFADRP CCCOc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1OC ZINC000650711708 397863741 /nfs/dbraw/zinc/86/37/41/397863741.db2.gz ALJNOEAVUXGGAX-UHFFFAOYSA-N 2 0 292.423 2.703 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763099 397887987 /nfs/dbraw/zinc/88/79/87/397887987.db2.gz QYRPLAJPEWSWGE-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000650712731 397864979 /nfs/dbraw/zinc/86/49/79/397864979.db2.gz RLNHGVVTCPAUFP-UHFFFAOYSA-N 2 0 256.752 2.698 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000650715640 397866652 /nfs/dbraw/zinc/86/66/52/397866652.db2.gz GINBATFGVCOSEC-MRXNPFEDSA-N 2 0 287.451 2.876 20 0 CFADRP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717451 397867284 /nfs/dbraw/zinc/86/72/84/397867284.db2.gz ARBDRVDLXNRXQD-NSHDSACASA-N 2 0 250.361 2.953 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717644 397867709 /nfs/dbraw/zinc/86/77/09/397867709.db2.gz IDXQVAMLVZCDRH-SMDDNHRTSA-N 2 0 250.361 2.953 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717924 397867791 /nfs/dbraw/zinc/86/77/91/397867791.db2.gz QWLWFCSITDUVET-LBPRGKRZSA-N 2 0 280.387 2.579 20 0 CFADRP CN(C)c1ccccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718300 397868260 /nfs/dbraw/zinc/86/82/60/397868260.db2.gz GJLXCEMMBCDRGF-UHFFFAOYSA-N 2 0 287.382 2.640 20 0 CFADRP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[NH2+]C)c1C ZINC000650718822 397868509 /nfs/dbraw/zinc/86/85/09/397868509.db2.gz XEVKDPLOKGHVKX-UHFFFAOYSA-N 2 0 286.423 2.529 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650720787 397869108 /nfs/dbraw/zinc/86/91/08/397869108.db2.gz ALADZQQNSZWZFF-HOTGVXAUSA-N 2 0 275.440 2.766 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)N2 ZINC000650720841 397869143 /nfs/dbraw/zinc/86/91/43/397869143.db2.gz CMOSFSZJKJGTBV-XMTFNYHQSA-N 2 0 299.462 2.781 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764152 397888618 /nfs/dbraw/zinc/88/86/18/397888618.db2.gz RDHABNKYLYUATP-OAHLLOKOSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723162 397871322 /nfs/dbraw/zinc/87/13/22/397871322.db2.gz IDXYNEQUGQWFTO-RRFJBIMHSA-N 2 0 268.445 2.783 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000650763658 397888654 /nfs/dbraw/zinc/88/86/54/397888654.db2.gz GOSSXTWMMVDHGO-HOTGVXAUSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764240 397888656 /nfs/dbraw/zinc/88/86/56/397888656.db2.gz UEKIXKJJRCRBPN-GFCCVEGCSA-N 2 0 252.427 2.658 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740958 397875262 /nfs/dbraw/zinc/87/52/62/397875262.db2.gz VCGMTQONEKRKEE-CJNGLKHVSA-N 2 0 276.399 2.964 20 0 CFADRP CC[C@H](OCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000650741381 397876045 /nfs/dbraw/zinc/87/60/45/397876045.db2.gz CIIPAOCYXWGXAM-ZACQAIPSSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000650742477 397876466 /nfs/dbraw/zinc/87/64/66/397876466.db2.gz YSJMGNHUUPGCTM-CZIKEKGBSA-N 2 0 270.420 2.829 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000650742438 397876581 /nfs/dbraw/zinc/87/65/81/397876581.db2.gz YABXRNMYPQVIMD-JKSUJKDBSA-N 2 0 267.461 2.501 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000650742056 397876636 /nfs/dbraw/zinc/87/66/36/397876636.db2.gz QJKRMFTWZSYTBU-GZBLMMOJSA-N 2 0 250.430 2.789 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650742729 397876672 /nfs/dbraw/zinc/87/66/72/397876672.db2.gz CLRINXWBSMKLCN-CYBMUJFWSA-N 2 0 262.397 2.865 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650742443 397876877 /nfs/dbraw/zinc/87/68/77/397876877.db2.gz YFWHQLRUZYJUFF-RDJZCZTQSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1F ZINC000650743623 397877549 /nfs/dbraw/zinc/87/75/49/397877549.db2.gz XQMSEKADIBKVLX-SNVBAGLBSA-N 2 0 254.324 2.744 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C12CCCCC2 ZINC000650745960 397879021 /nfs/dbraw/zinc/87/90/21/397879021.db2.gz SFPUPKOWTPCTDY-CABCVRRESA-N 2 0 280.456 2.833 20 0 CFADRP CC(C)[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cn1 ZINC000650747078 397879391 /nfs/dbraw/zinc/87/93/91/397879391.db2.gz RBXASRMVVDKPII-AWEZNQCLSA-N 2 0 265.376 2.636 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650746001 397879549 /nfs/dbraw/zinc/87/95/49/397879549.db2.gz TWQOFTDXXYMEOX-CQSZACIVSA-N 2 0 298.434 2.960 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000650746435 397879723 /nfs/dbraw/zinc/87/97/23/397879723.db2.gz CBILPPWTZCCWLO-AWEZNQCLSA-N 2 0 276.428 2.750 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650747216 397879952 /nfs/dbraw/zinc/87/99/52/397879952.db2.gz UWBJBIIFZVIFHT-KBRIMQKVSA-N 2 0 288.435 2.906 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cn1 ZINC000650747079 397880468 /nfs/dbraw/zinc/88/04/68/397880468.db2.gz RBXASRMVVDKPII-CQSZACIVSA-N 2 0 265.376 2.636 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747590 397880471 /nfs/dbraw/zinc/88/04/71/397880471.db2.gz CYWQLEPCXDTBQY-CZUORRHYSA-N 2 0 296.418 2.536 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754685 397883617 /nfs/dbraw/zinc/88/36/17/397883617.db2.gz OOZCXSYUKCWRQL-CZUORRHYSA-N 2 0 280.387 2.579 20 0 CFADRP COC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCCC1 ZINC000650754990 397883645 /nfs/dbraw/zinc/88/36/45/397883645.db2.gz WJCWTBSIZDOISK-MRXNPFEDSA-N 2 0 280.387 2.579 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755770 397884443 /nfs/dbraw/zinc/88/44/43/397884443.db2.gz MLBJUHDHQMGTQL-NSHDSACASA-N 2 0 262.328 2.598 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000372990697 292127161 /nfs/dbraw/zinc/12/71/61/292127161.db2.gz BZJZROURFIBILL-KKUMJFAQSA-N 2 0 266.429 2.551 20 0 CFADRP c1cc2c(cc[nH+]c2N2CCC[C@H]([NH+]3CCCC3)C2)[nH]1 ZINC000663394603 413181340 /nfs/dbraw/zinc/18/13/40/413181340.db2.gz XNYWQNBMZPYQSO-ZDUSSCGKSA-N 2 0 270.380 2.628 20 0 CFADRP c1cc2c(cc[nH+]c2NC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000663398761 413184042 /nfs/dbraw/zinc/18/40/42/413184042.db2.gz TYFBUCINQNRMTM-UHFFFAOYSA-N 2 0 270.380 2.849 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CCCCC1 ZINC000421865678 292147079 /nfs/dbraw/zinc/14/70/79/292147079.db2.gz ZTHDJFCJLKSNIL-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255370 413197694 /nfs/dbraw/zinc/19/76/94/413197694.db2.gz BNJUWUPGMOUFDH-QKPAOTATSA-N 2 0 280.456 2.797 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404318187 413197726 /nfs/dbraw/zinc/19/77/26/413197726.db2.gz PMWGGHHUKXLGMQ-RHSMWYFYSA-N 2 0 276.424 2.687 20 0 CFADRP Cc1cc(CO)cc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000663420873 413200091 /nfs/dbraw/zinc/20/00/91/413200091.db2.gz WJPZAKORJBZLPS-UMVBOHGHSA-N 2 0 291.439 2.661 20 0 CFADRP COC1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414819335 292159641 /nfs/dbraw/zinc/15/96/41/292159641.db2.gz YMMAMRONSUJRFH-JQRITLKVSA-N 2 0 262.397 2.754 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414918891 533674937 /nfs/dbraw/zinc/67/49/37/533674937.db2.gz VLLWLYVRCKIKRK-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1C ZINC000404425302 413207418 /nfs/dbraw/zinc/20/74/18/413207418.db2.gz LGTHSCDEMMUOKQ-BBRMVZONSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]CCc1ccc(F)cc1Cl ZINC000356157689 155173781 /nfs/dbraw/zinc/17/37/81/155173781.db2.gz DACLYSSTKWDMSJ-NSHDSACASA-N 2 0 272.795 2.951 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422918594 286012698 /nfs/dbraw/zinc/01/26/98/286012698.db2.gz HRUSONFTDAMPOM-NWANDNLSSA-N 2 0 282.815 2.745 20 0 CFADRP Oc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786447 413224802 /nfs/dbraw/zinc/22/48/02/413224802.db2.gz SVUQDTQYAFVKJO-MRXNPFEDSA-N 2 0 274.408 2.604 20 0 CFADRP CCOCCC1(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000415083865 286047799 /nfs/dbraw/zinc/04/77/99/286047799.db2.gz FXJWLHIZBWJYGI-HZPDHXFCSA-N 2 0 282.472 2.951 20 0 CFADRP CCOCCC1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000415091551 286047810 /nfs/dbraw/zinc/04/78/10/286047810.db2.gz QSIQFADDYYHPKZ-OAHLLOKOSA-N 2 0 268.445 2.563 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCC1 ZINC000422933335 286048076 /nfs/dbraw/zinc/04/80/76/286048076.db2.gz DILKSJGHFMCZBU-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCCC1 ZINC000422892585 286048850 /nfs/dbraw/zinc/04/88/50/286048850.db2.gz YTMQKFYRBHUXNX-JKSUJKDBSA-N 2 0 282.472 2.951 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCCC1 ZINC000422892582 286050431 /nfs/dbraw/zinc/05/04/31/286050431.db2.gz YTMQKFYRBHUXNX-CVEARBPZSA-N 2 0 282.472 2.951 20 0 CFADRP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000494169522 292197372 /nfs/dbraw/zinc/19/73/72/292197372.db2.gz ANTIEQWDKOXNFL-HNNXBMFYSA-N 2 0 270.461 2.617 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786954 413229717 /nfs/dbraw/zinc/22/97/17/413229717.db2.gz YAPNGNQTSQVKSS-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP c1nc2ccccn2c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786473 413229918 /nfs/dbraw/zinc/22/99/18/413229918.db2.gz SWULNQJMHBLSFG-MRXNPFEDSA-N 2 0 298.434 2.546 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656787064 413230540 /nfs/dbraw/zinc/23/05/40/413230540.db2.gz ZSWJECJYWBXRKR-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656790658 413234554 /nfs/dbraw/zinc/23/45/54/413234554.db2.gz HGMAVOVNRDJUFN-ZBFHGGJFSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCC3(CCOCC3)CC2)CCCC1 ZINC000656789732 413236330 /nfs/dbraw/zinc/23/63/30/413236330.db2.gz WQRBDVVFVQAAEI-UHFFFAOYSA-N 2 0 266.429 2.587 20 0 CFADRP CC[N@H+](CCCNC(=O)CC[NH2+]C(C)C)C1CCCCC1 ZINC000653200802 413236361 /nfs/dbraw/zinc/23/63/61/413236361.db2.gz QIUVBGWPMLSTBB-UHFFFAOYSA-N 2 0 297.487 2.535 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC000424321508 286114096 /nfs/dbraw/zinc/11/40/96/286114096.db2.gz UJIUCWKFEQQYAU-GGGWTEGZSA-N 2 0 280.456 2.652 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC[N@H+](C)C3CC3)C[C@H]2C1 ZINC000424337918 286114755 /nfs/dbraw/zinc/11/47/55/286114755.db2.gz SSUFAWGPYKMKIV-CYGXGOLOSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@H]2C1 ZINC000424259284 286114779 /nfs/dbraw/zinc/11/47/79/286114779.db2.gz MSUFZAPACMNOLS-PLAPLOCASA-N 2 0 268.445 2.510 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423253520 296624476 /nfs/dbraw/zinc/62/44/76/296624476.db2.gz WADUXAJSVFSLEN-BBRMVZONSA-N 2 0 259.397 2.523 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CC1CCC1 ZINC000335033279 296626042 /nfs/dbraw/zinc/62/60/42/296626042.db2.gz FOJTZJRKKHWHCM-RDJZCZTQSA-N 2 0 272.392 2.632 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415115594 413241238 /nfs/dbraw/zinc/24/12/38/413241238.db2.gz YOCHIBYTRBSYLW-QKPAOTATSA-N 2 0 268.445 2.844 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499629 413245275 /nfs/dbraw/zinc/24/52/75/413245275.db2.gz ZOLPHKQDZDTNTL-JDEYZFBPSA-N 2 0 270.420 2.739 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000663500268 413246625 /nfs/dbraw/zinc/24/66/25/413246625.db2.gz JLVOIBZBYMAMGI-ZMSDIMECSA-N 2 0 274.408 2.528 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000166038745 286198380 /nfs/dbraw/zinc/19/83/80/286198380.db2.gz WKNISCJDUNCWQP-PBHICJAKSA-N 2 0 294.439 2.703 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000663504309 413250531 /nfs/dbraw/zinc/25/05/31/413250531.db2.gz YYCRGHKTFNBSHD-DZGCQCFKSA-N 2 0 288.439 2.847 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000663503403 413250857 /nfs/dbraw/zinc/25/08/57/413250857.db2.gz RGEBKRUCWIZRJT-SWLSCSKDSA-N 2 0 295.402 2.506 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000423405315 292246519 /nfs/dbraw/zinc/24/65/19/292246519.db2.gz YXVLDSOSSMPALG-HNNXBMFYSA-N 2 0 276.424 2.662 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCCCC1 ZINC000423139088 292248141 /nfs/dbraw/zinc/24/81/41/292248141.db2.gz KGKVLVSLOLLOHI-LSDHHAIUSA-N 2 0 268.445 2.561 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cc(C)ccc2C)CC[NH2+]CC1 ZINC000423389405 292249048 /nfs/dbraw/zinc/24/90/48/292249048.db2.gz LOJLFWJSJLXMSZ-MRXNPFEDSA-N 2 0 290.451 2.970 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1(CC)CC ZINC000422835842 286277331 /nfs/dbraw/zinc/27/73/31/286277331.db2.gz JFQZZSYAQSQWTR-NEXFUWMNSA-N 2 0 268.445 2.830 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1(CC)CC ZINC000423345989 286284181 /nfs/dbraw/zinc/28/41/81/286284181.db2.gz PISJRDNUHISVSF-OAGGEKHMSA-N 2 0 282.472 2.950 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000423472521 286281348 /nfs/dbraw/zinc/28/13/48/286281348.db2.gz FZPKOXVDGFLSQZ-ARFHVFGLSA-N 2 0 280.456 2.846 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000261570225 286285449 /nfs/dbraw/zinc/28/54/49/286285449.db2.gz OHBYFEWPFDYKLI-KBUPBQIOSA-N 2 0 268.445 2.545 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000663514429 413259877 /nfs/dbraw/zinc/25/98/77/413259877.db2.gz RHOBEJJZSQKZOD-GHMZBOCLSA-N 2 0 274.330 2.834 20 0 CFADRP CC[C@@H](C)[N@H+](C)CCNc1nccc2c(N)cccc21 ZINC000663529141 413263202 /nfs/dbraw/zinc/26/32/02/413263202.db2.gz MXOVMQFAMRHMNO-GFCCVEGCSA-N 2 0 272.396 2.959 20 0 CFADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCCC[C@H]1C ZINC000660368435 413265227 /nfs/dbraw/zinc/26/52/27/413265227.db2.gz ROSVFRDNBOZNDL-OAGGEKHMSA-N 2 0 270.461 2.588 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000347000622 286333510 /nfs/dbraw/zinc/33/35/10/286333510.db2.gz ZQHVWLYDZRPBEG-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c(C)c1 ZINC000423228849 286354806 /nfs/dbraw/zinc/35/48/06/286354806.db2.gz FMMXLRHRXWCBAS-IYXRBSQSSA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1OC ZINC000423388603 286370413 /nfs/dbraw/zinc/37/04/13/286370413.db2.gz UGYJLPUORODOFF-FPMFFAJLSA-N 2 0 292.423 2.803 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000250466124 286398717 /nfs/dbraw/zinc/39/87/17/286398717.db2.gz BKAFBOWOOUZZPN-FXUDXRNXSA-N 2 0 278.440 2.551 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1(CC)CC ZINC000423541038 286399300 /nfs/dbraw/zinc/39/93/00/286399300.db2.gz KMOSKHWVXZLPSC-OVYGPGRDSA-N 2 0 294.483 2.948 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1O ZINC000414810035 533676217 /nfs/dbraw/zinc/67/62/17/533676217.db2.gz NGVMQDXEXJZTGT-LBPRGKRZSA-N 2 0 286.375 2.710 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)cc1OC ZINC000343264764 154160939 /nfs/dbraw/zinc/16/09/39/154160939.db2.gz BAWLHWKVWNJSAG-ZFWWWQNUSA-N 2 0 292.423 2.524 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000348100551 154319988 /nfs/dbraw/zinc/31/99/88/154319988.db2.gz FYTFUSKZFRICDU-WBVHZDCISA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000348109818 154324377 /nfs/dbraw/zinc/32/43/77/154324377.db2.gz ZPCSAICNUFWWIO-UAGQMJEPSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000348180827 154350292 /nfs/dbraw/zinc/35/02/92/154350292.db2.gz MQISZJKAUSLBDQ-AWEZNQCLSA-N 2 0 286.423 2.522 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CCc2csc(C)n2)C[C@@H]1C ZINC000348187083 154354219 /nfs/dbraw/zinc/35/42/19/154354219.db2.gz GHZKKECQWDVLFO-WFASDCNBSA-N 2 0 281.469 2.799 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423063500 292306617 /nfs/dbraw/zinc/30/66/17/292306617.db2.gz OUWHURPSUWANQD-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)CCC[NH3+])CCCCC1 ZINC000415017441 292306741 /nfs/dbraw/zinc/30/67/41/292306741.db2.gz FLHQWTCKHCKKTE-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP CSC1(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000348252459 154383044 /nfs/dbraw/zinc/38/30/44/154383044.db2.gz BXTZRPVUCVXYLQ-CYBMUJFWSA-N 2 0 256.459 2.736 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000449225212 286442867 /nfs/dbraw/zinc/44/28/67/286442867.db2.gz SPEWEFDKTRMVQG-KLHDSHLOSA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000166038858 286443147 /nfs/dbraw/zinc/44/31/47/286443147.db2.gz WKNISCJDUNCWQP-RHSMWYFYSA-N 2 0 294.439 2.703 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359190295 156018653 /nfs/dbraw/zinc/01/86/53/156018653.db2.gz NIXNFRPNXGMZQS-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CCC1CC[NH2+]CC1 ZINC000359206971 156022376 /nfs/dbraw/zinc/02/23/76/156022376.db2.gz HUWYYSINCUIACY-UHFFFAOYSA-N 2 0 294.414 2.916 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc3ccccc3n2)CC1 ZINC000360158106 156037007 /nfs/dbraw/zinc/03/70/07/156037007.db2.gz XIMYQARUGMFIJJ-UHFFFAOYSA-N 2 0 283.419 2.851 20 0 CFADRP CCC1(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCOCC1 ZINC000360163994 156039151 /nfs/dbraw/zinc/03/91/51/156039151.db2.gz FJDDYRQKHKJARB-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP CC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000362775852 156083987 /nfs/dbraw/zinc/08/39/87/156083987.db2.gz RRKAELVTDAFZJJ-ZWKOTPCHSA-N 2 0 290.451 2.744 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000362803468 156088727 /nfs/dbraw/zinc/08/87/27/156088727.db2.gz UYTGVLUFXPBGQF-VSZNYVQBSA-N 2 0 292.467 2.822 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362929555 156118627 /nfs/dbraw/zinc/11/86/27/156118627.db2.gz FQPDQKQGKLQBAH-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC ZINC000362974746 156132357 /nfs/dbraw/zinc/13/23/57/156132357.db2.gz BPPJRDFEEDOEMA-RHSMWYFYSA-N 2 0 291.439 2.701 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423242039 292337899 /nfs/dbraw/zinc/33/78/99/292337899.db2.gz DWGJLVXXZAWOEG-GDBMZVCRSA-N 2 0 274.408 2.798 20 0 CFADRP C[C@@H](F)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367158477 156289213 /nfs/dbraw/zinc/28/92/13/156289213.db2.gz SELLOXZWCNDQAA-CABCVRRESA-N 2 0 256.409 2.932 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCCC12CCOCC2 ZINC000367207046 156296772 /nfs/dbraw/zinc/29/67/72/156296772.db2.gz CIDLIQFBARNAGK-UHFFFAOYSA-N 2 0 277.412 2.617 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CSCCc4ccccc43)C[C@@H]2C1 ZINC000367327573 156315798 /nfs/dbraw/zinc/31/57/98/156315798.db2.gz RRRYIGXONPPMSU-HLLBOEOZSA-N 2 0 288.460 2.510 20 0 CFADRP c1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cs1 ZINC000367472092 156336845 /nfs/dbraw/zinc/33/68/45/156336845.db2.gz CJFYXKNMCDXOPP-KFWWJZLASA-N 2 0 262.422 2.664 20 0 CFADRP C[N@H+](CCCC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367596854 156357309 /nfs/dbraw/zinc/35/73/09/156357309.db2.gz AFJGCIZLBYXWCE-SJPCQFCGSA-N 2 0 280.456 2.750 20 0 CFADRP C[N@H+](CCCOCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367602840 156360251 /nfs/dbraw/zinc/36/02/51/156360251.db2.gz JPRVDCHROYYFNB-FUNVUKJBSA-N 2 0 294.361 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367611570 156361764 /nfs/dbraw/zinc/36/17/64/156361764.db2.gz CFFANPKPEPNNRV-JYJNAYRXSA-N 2 0 280.362 2.927 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367612852 156362668 /nfs/dbraw/zinc/36/26/68/156362668.db2.gz BKXCHIBAKMNEEG-OKZBNKHCSA-N 2 0 287.451 2.951 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]2CCC[C@H]21 ZINC000367614719 156363885 /nfs/dbraw/zinc/36/38/85/156363885.db2.gz IAEFXCNWFLYDAR-MELADBBJSA-N 2 0 250.411 2.711 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccsc2)[C@H]2CCC[C@H]21 ZINC000367614717 156364766 /nfs/dbraw/zinc/36/47/66/156364766.db2.gz IAEFXCNWFLYDAR-HZSPNIEDSA-N 2 0 250.411 2.711 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367621154 156366281 /nfs/dbraw/zinc/36/62/81/156366281.db2.gz ZTPXKYQLMJGMON-KZNAEPCWSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H]2CCC[C@H]21 ZINC000367636707 156370673 /nfs/dbraw/zinc/37/06/73/156370673.db2.gz MCXKVYUHYOCNQF-YESZJQIVSA-N 2 0 294.389 2.970 20 0 CFADRP CCc1nc(C)cc(N2CCC([NH2+]C3CCCC3)CC2)n1 ZINC000367729515 156383194 /nfs/dbraw/zinc/38/31/94/156383194.db2.gz PPTSUDPBELDAFK-UHFFFAOYSA-N 2 0 288.439 2.848 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1OC ZINC000415070856 286555643 /nfs/dbraw/zinc/55/56/43/286555643.db2.gz YVXICKOCBYUURH-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449110851 292350533 /nfs/dbraw/zinc/35/05/33/292350533.db2.gz HEELDKABLYFBPJ-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000372876365 156931062 /nfs/dbraw/zinc/93/10/62/156931062.db2.gz HYHKKWOOKMUZRQ-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP C(CN1CCC[C@@H]([NH+]2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000372905999 156932809 /nfs/dbraw/zinc/93/28/09/156932809.db2.gz ZNSKJIWCLWQPNT-GOSISDBHSA-N 2 0 293.499 2.813 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(c3nccc4c(N)cccc43)CC[C@H]21 ZINC000663721398 413339957 /nfs/dbraw/zinc/33/99/57/413339957.db2.gz MATYVTTURWKMNC-SUMWQHHRSA-N 2 0 296.418 2.738 20 0 CFADRP C[C@H](O)C[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000374109467 157069879 /nfs/dbraw/zinc/06/98/79/157069879.db2.gz RTNMQBQHAXRKTM-INIZCTEOSA-N 2 0 290.451 2.601 20 0 CFADRP CO[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000374675644 157146336 /nfs/dbraw/zinc/14/63/36/157146336.db2.gz DIWBCTYAQCHNLV-ZIAGYGMSSA-N 2 0 265.401 2.506 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000375064826 157192066 /nfs/dbraw/zinc/19/20/66/157192066.db2.gz ZLRYDXDMUAKEGS-QBYUYEEZSA-N 2 0 292.471 2.827 20 0 CFADRP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000375095616 157194508 /nfs/dbraw/zinc/19/45/08/157194508.db2.gz ZCCVZKWDMJRFKZ-DCKQQPRJSA-N 2 0 294.483 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCCCCO)[C@H]1c1ccccc1 ZINC000375457753 157245523 /nfs/dbraw/zinc/24/55/23/157245523.db2.gz DURLJKOHIXRRQH-QZTJIDSGSA-N 2 0 290.451 2.822 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000375703070 157272110 /nfs/dbraw/zinc/27/21/10/157272110.db2.gz DVTGEQUPBFICMC-HQSKLWIPSA-N 2 0 288.435 2.552 20 0 CFADRP Cc1ncsc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375759621 157280779 /nfs/dbraw/zinc/28/07/79/157280779.db2.gz RFEPGEXVAHCYAH-PBWFPOADSA-N 2 0 279.453 2.551 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375789984 157284392 /nfs/dbraw/zinc/28/43/92/157284392.db2.gz VNFFKGDISSZMJZ-BBWFWOEESA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375792038 157286440 /nfs/dbraw/zinc/28/64/40/157286440.db2.gz PJLHJNRRKPQNLT-RUGDWHBFSA-N 2 0 288.435 2.702 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000375896357 157303293 /nfs/dbraw/zinc/30/32/93/157303293.db2.gz WABXRKYZRBILBT-ULQDDVLXSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC2CCCC2)[C@H]2CCC[C@H]21 ZINC000375895092 157303403 /nfs/dbraw/zinc/30/34/03/157303403.db2.gz JIBOCDZNWUDZHO-IXDOHACOSA-N 2 0 280.456 2.798 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376515211 157366709 /nfs/dbraw/zinc/36/67/09/157366709.db2.gz ONWRAQXGGXYHQJ-RWQQGDIJSA-N 2 0 282.431 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1noc2ccccc21 ZINC000653566814 413374926 /nfs/dbraw/zinc/37/49/26/413374926.db2.gz LHCAKZITJCEHSY-CABCVRRESA-N 2 0 299.418 2.929 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000425363365 286698449 /nfs/dbraw/zinc/69/84/49/286698449.db2.gz XBNQEAVCLFDXDA-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]1C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2nccn21 ZINC000651303807 413396449 /nfs/dbraw/zinc/39/64/49/413396449.db2.gz IBDMQPYGXPGBPE-SMDDNHRTSA-N 2 0 280.335 2.582 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417872977 288477020 /nfs/dbraw/zinc/47/70/20/288477020.db2.gz NVNNGBCCJJDLJK-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP c1cc2c(cc[nH+]c2NC[C@@H]2CCCC[N@@H+]2C2CC2)[nH]1 ZINC000663845296 413411179 /nfs/dbraw/zinc/41/11/79/413411179.db2.gz XHTVFROCAMXEBZ-ZDUSSCGKSA-N 2 0 270.380 2.992 20 0 CFADRP c1c2ccncc2sc1C[NH2+]CCC[NH+]1CCCC1 ZINC000657296112 413413355 /nfs/dbraw/zinc/41/33/55/413413355.db2.gz SBANDJLDULOGSH-UHFFFAOYSA-N 2 0 275.421 2.872 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902234 298384238 /nfs/dbraw/zinc/38/42/38/298384238.db2.gz HGBVGIBBRLGPME-GHMZBOCLSA-N 2 0 252.324 2.839 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000423127203 298392118 /nfs/dbraw/zinc/39/21/18/298392118.db2.gz JRWAFBDWKPOKOY-TYNCELHUSA-N 2 0 282.453 2.858 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000422965174 298391243 /nfs/dbraw/zinc/39/12/43/298391243.db2.gz KKPODMYBCPTPJO-NVXWUHKLSA-N 2 0 292.467 2.896 20 0 CFADRP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)C[NH+]1CCCC1 ZINC000372693188 286875442 /nfs/dbraw/zinc/87/54/42/286875442.db2.gz NDVCTBUYSRDJIF-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423043784 298399755 /nfs/dbraw/zinc/39/97/55/298399755.db2.gz PZODAGZFBVJACT-BXUZGUMPSA-N 2 0 266.360 2.756 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CO1 ZINC000657313478 413432868 /nfs/dbraw/zinc/43/28/68/413432868.db2.gz SFMKOQLYUQHUQN-LUKYLMHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000423079414 286891354 /nfs/dbraw/zinc/89/13/54/286891354.db2.gz AANWAOMBSKCCEJ-RDJZCZTQSA-N 3 0 293.499 2.761 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)c(C)c1 ZINC000657316131 413435655 /nfs/dbraw/zinc/43/56/55/413435655.db2.gz ZBOASYDEURPXCU-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(CC)CC ZINC000344306849 162002084 /nfs/dbraw/zinc/00/20/84/162002084.db2.gz YJAFATJOJFHLCI-HOTGVXAUSA-N 2 0 280.456 2.822 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423122880 286913960 /nfs/dbraw/zinc/91/39/60/286913960.db2.gz LKECXXXZDIXRIJ-CLWVCHIJSA-N 2 0 262.397 2.622 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000344980979 162157376 /nfs/dbraw/zinc/15/73/76/162157376.db2.gz YKKYLPYSPVXRPV-JKSUJKDBSA-N 2 0 294.464 2.611 20 0 CFADRP C/C(=C/c1ccccc1)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345137642 162184486 /nfs/dbraw/zinc/18/44/86/162184486.db2.gz HCUBZXNKPFLKEY-QINSGFPZSA-N 2 0 256.393 2.941 20 0 CFADRP Cc1cc(C)c(C[NH2+]CC2=CC[N@H+](C)CC2)cc1C ZINC000345133413 162185125 /nfs/dbraw/zinc/18/51/25/162185125.db2.gz ADORMZUGIDXNDA-UHFFFAOYSA-N 2 0 258.409 2.963 20 0 CFADRP CC(C)c1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000345147096 162187134 /nfs/dbraw/zinc/18/71/34/162187134.db2.gz UXLCWDFOFHZFTI-UHFFFAOYSA-N 2 0 265.426 2.618 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccncc2)cc1 ZINC000423288933 286927643 /nfs/dbraw/zinc/92/76/43/286927643.db2.gz ABQWVRTYKDPHAU-CHWSQXEVSA-N 2 0 255.365 2.952 20 0 CFADRP CCc1cnc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000346219914 162354868 /nfs/dbraw/zinc/35/48/68/162354868.db2.gz NKWBJLPAXIDGRE-JSGCOSHPSA-N 2 0 281.469 2.868 20 0 CFADRP Cc1cc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)cc2cccnc12 ZINC000346221020 162355220 /nfs/dbraw/zinc/35/52/20/162355220.db2.gz NOJUKCLFROKIPF-IAGOWNOFSA-N 2 0 281.403 2.727 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660626749 413443775 /nfs/dbraw/zinc/44/37/75/413443775.db2.gz LJNOLLZMHLIBJP-HOTGVXAUSA-N 2 0 273.424 2.745 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000346373562 162395129 /nfs/dbraw/zinc/39/51/29/162395129.db2.gz SMHUMMNRAPEWFX-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000346551477 162441937 /nfs/dbraw/zinc/44/19/37/162441937.db2.gz FVCXSODUYNMROC-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccsc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347015495 162582840 /nfs/dbraw/zinc/58/28/40/162582840.db2.gz JQCIBXSPWPQURJ-CYBMUJFWSA-N 2 0 280.437 2.721 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOCc3ccccc3)C2)C1 ZINC000660639361 413452255 /nfs/dbraw/zinc/45/22/55/413452255.db2.gz FUEBDXFOCVYXRD-SFHVURJKSA-N 2 0 288.435 2.621 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOCc3ccccc3)C2)C1 ZINC000660639360 413453618 /nfs/dbraw/zinc/45/36/18/413453618.db2.gz FUEBDXFOCVYXRD-GOSISDBHSA-N 2 0 288.435 2.621 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000349660077 163001339 /nfs/dbraw/zinc/00/13/39/163001339.db2.gz AWTAMAVXMSPMSU-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)CCO3)CC1 ZINC000349803253 163018097 /nfs/dbraw/zinc/01/80/97/163018097.db2.gz WQQTWBSIDINYCU-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000350178399 163065308 /nfs/dbraw/zinc/06/53/08/163065308.db2.gz YOYXFQQIGLYKAP-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000350178042 163066194 /nfs/dbraw/zinc/06/61/94/163066194.db2.gz WENHUEOJMRGTQJ-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000350870231 163111878 /nfs/dbraw/zinc/11/18/78/163111878.db2.gz MRPULQJFAUCFJG-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[N@H+](C[C@H](O)CN(C)C1CC1)CC1CCCCC1 ZINC000351438813 163129179 /nfs/dbraw/zinc/12/91/79/163129179.db2.gz DVDRVALTQMQCHZ-QGZVFWFLSA-N 2 0 282.472 2.734 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000351414415 163129278 /nfs/dbraw/zinc/12/92/78/163129278.db2.gz NDSZSLLXBSQMSI-CABCVRRESA-N 2 0 296.455 2.524 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351502072 163136514 /nfs/dbraw/zinc/13/65/14/163136514.db2.gz ZELBBEFPYDTYMY-BBWFWOEESA-N 2 0 258.409 2.597 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000351863141 163205200 /nfs/dbraw/zinc/20/52/00/163205200.db2.gz SATHSJIPLNPUSF-TZMCWYRMSA-N 2 0 287.432 2.979 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351867641 163207789 /nfs/dbraw/zinc/20/77/89/163207789.db2.gz ZJRQADBBXGCIMP-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000352782333 163235308 /nfs/dbraw/zinc/23/53/08/163235308.db2.gz HGQSYQQYZBMXTP-AWEZNQCLSA-N 2 0 268.445 2.534 20 0 CFADRP Cc1c[nH]nc1CNCc1ccccc1C[NH+]1CCCCC1 ZINC000352838383 163248366 /nfs/dbraw/zinc/24/83/66/163248366.db2.gz DSMRWHXTFCVUKM-UHFFFAOYSA-N 2 0 298.434 2.994 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000352842100 163249055 /nfs/dbraw/zinc/24/90/55/163249055.db2.gz AMRYTZURQYHKNE-RYQLBKOJSA-N 2 0 294.483 2.805 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352839171 163249403 /nfs/dbraw/zinc/24/94/03/163249403.db2.gz IJTBEJVFJWXEOF-FUHWJXTLSA-N 2 0 293.499 2.596 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)C[C@@H]1C ZINC000352856217 163253278 /nfs/dbraw/zinc/25/32/78/163253278.db2.gz CNINNICPEXUFNM-XIRDDKMYSA-N 2 0 282.472 2.732 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)NCc1cnc2c(C)cccn12 ZINC000353085049 163302658 /nfs/dbraw/zinc/30/26/58/163302658.db2.gz AYSFGQXKNHLVGE-HNNXBMFYSA-N 2 0 288.439 2.853 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NCc1cnc2c(C)cccn12 ZINC000353085051 163303490 /nfs/dbraw/zinc/30/34/90/163303490.db2.gz AYSFGQXKNHLVGE-OAHLLOKOSA-N 2 0 288.439 2.853 20 0 CFADRP CCc1nc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cs1 ZINC000353222462 163319030 /nfs/dbraw/zinc/31/90/30/163319030.db2.gz GWHQSCZOKNHZCB-UHFFFAOYSA-N 2 0 299.509 2.623 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000353454798 163367842 /nfs/dbraw/zinc/36/78/42/163367842.db2.gz MAKCKXVALUBBOW-MHORFTMASA-N 2 0 293.499 2.569 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353499539 163377645 /nfs/dbraw/zinc/37/76/45/163377645.db2.gz VEVXXIHRDMDCLK-KSZLIROESA-N 3 0 293.499 2.571 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000353493188 163377783 /nfs/dbraw/zinc/37/77/83/163377783.db2.gz VYJLUOMDBHGBLY-OAHLLOKOSA-N 2 0 283.504 2.959 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(C)(C)C ZINC000353521765 163384720 /nfs/dbraw/zinc/38/47/20/163384720.db2.gz SLUUCZUNPQTGQE-KBUPBQIOSA-N 2 0 268.445 2.510 20 0 CFADRP CCc1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000353518667 163385089 /nfs/dbraw/zinc/38/50/89/163385089.db2.gz LJUVHIQSJBGCPP-UHFFFAOYSA-N 2 0 267.442 2.668 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H](C)CC[NH+](C)C)[nH]c2c1 ZINC000657335671 413462585 /nfs/dbraw/zinc/46/25/85/413462585.db2.gz RXPKQRAMLDWSBC-CYBMUJFWSA-N 2 0 259.397 2.906 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423345771 287016922 /nfs/dbraw/zinc/01/69/22/287016922.db2.gz ZALLRSMBCDVCRU-CQSZACIVSA-N 2 0 275.440 2.793 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc2ccncc2s1 ZINC000657335119 413464400 /nfs/dbraw/zinc/46/44/00/413464400.db2.gz LNCCNGPFTIHJJK-LLVKDONJSA-N 2 0 263.410 2.726 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CC1(C)C ZINC000486934986 287022759 /nfs/dbraw/zinc/02/27/59/287022759.db2.gz HUFOMZHMVQHBHM-KLHDSHLOSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1 ZINC000245541799 287023539 /nfs/dbraw/zinc/02/35/39/287023539.db2.gz OWDKBCVOYZXDFY-BZUAXINKSA-N 2 0 291.439 2.622 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423211266 287033393 /nfs/dbraw/zinc/03/33/93/287033393.db2.gz KRVMPOBBTZAJFR-VXGBXAGGSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423250892 287029938 /nfs/dbraw/zinc/02/99/38/287029938.db2.gz REWLDUCKAWZDRV-NEPJUHHUSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000423490050 287038729 /nfs/dbraw/zinc/03/87/29/287038729.db2.gz HISYTHDXSHIPKH-IXRCJPEJSA-N 2 0 292.467 2.559 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423413450 287108443 /nfs/dbraw/zinc/10/84/43/287108443.db2.gz KNGVENQXTPQNGT-ZJIFWQFVSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000356837033 289696274 /nfs/dbraw/zinc/69/62/74/289696274.db2.gz HMFJXIBZOMSZBO-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccccc1)C2 ZINC000660655009 413474093 /nfs/dbraw/zinc/47/40/93/413474093.db2.gz JZRKHCPLSPQKQG-KRWDZBQOSA-N 2 0 258.409 2.647 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCc2ccccc2C)CC1 ZINC000011889237 170453373 /nfs/dbraw/zinc/45/33/73/170453373.db2.gz DPCJLJHQBSGSCF-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)c2ccccc2)C1 ZINC000284432232 196053756 /nfs/dbraw/zinc/05/37/56/196053756.db2.gz PKSCQOQCWQLRJD-RDJZCZTQSA-N 2 0 276.424 2.648 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000019915214 170924735 /nfs/dbraw/zinc/92/47/35/170924735.db2.gz JDFIVBFIBMHEKG-CQSZACIVSA-N 2 0 264.413 2.992 20 0 CFADRP CCCC1CCC([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000020128523 171015443 /nfs/dbraw/zinc/01/54/43/171015443.db2.gz NJROBONOUCNKBU-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000020147543 171034531 /nfs/dbraw/zinc/03/45/31/171034531.db2.gz BHKFWEBSGWNNSL-HNNXBMFYSA-N 2 0 295.496 2.815 20 0 CFADRP CN(C)c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660660485 413478662 /nfs/dbraw/zinc/47/86/62/413478662.db2.gz WCFUXTRQTUJOQX-SFHVURJKSA-N 2 0 287.451 2.670 20 0 CFADRP C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)C1CC[NH+](C)CC1 ZINC000651469161 413488602 /nfs/dbraw/zinc/48/86/02/413488602.db2.gz FFZNZEGHPGHXSN-LMWSTFAQSA-N 2 0 290.398 2.857 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657350034 413482777 /nfs/dbraw/zinc/48/27/77/413482777.db2.gz YEPVGACTTOSCFZ-UHFFFAOYSA-N 2 0 275.421 2.728 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)CO1 ZINC000657357774 413490037 /nfs/dbraw/zinc/49/00/37/413490037.db2.gz SCIOZQDSRKSDCN-BHYGNILZSA-N 2 0 276.424 2.664 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CO1 ZINC000657363504 413499768 /nfs/dbraw/zinc/49/97/68/413499768.db2.gz POCDIVLWVYVPQW-GJZGRUSLSA-N 2 0 280.387 2.544 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000660695220 413504644 /nfs/dbraw/zinc/50/46/44/413504644.db2.gz FYRFFPPOAMDXGK-IAGOWNOFSA-N 2 0 296.499 2.885 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000653808863 413508993 /nfs/dbraw/zinc/50/89/93/413508993.db2.gz DFPWIXKLZJQGLI-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP Cc1nc(C)c(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000657381066 413530601 /nfs/dbraw/zinc/53/06/01/413530601.db2.gz PMWWPBYNXWWIOO-UHFFFAOYSA-N 2 0 299.403 2.630 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000657385215 413533665 /nfs/dbraw/zinc/53/36/65/413533665.db2.gz SRJHFHOBHZQZMO-DOTOQJQBSA-N 2 0 280.456 2.941 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@]2(C)CC)CC1 ZINC000651676927 413561332 /nfs/dbraw/zinc/56/13/32/413561332.db2.gz RULWKRNLOUEWRL-ZWKOTPCHSA-N 2 0 295.515 2.963 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651676517 413561909 /nfs/dbraw/zinc/56/19/09/413561909.db2.gz CNALXBXZIIEBNK-QZTJIDSGSA-N 2 0 295.515 2.963 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000651675978 413562401 /nfs/dbraw/zinc/56/24/01/413562401.db2.gz KLSODQVTRNZREU-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674353 413559580 /nfs/dbraw/zinc/55/95/80/413559580.db2.gz LSNOTGRWYCVUBF-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CO1 ZINC000657412986 413568154 /nfs/dbraw/zinc/56/81/54/413568154.db2.gz FWQSQFJBMLKWGR-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCCO)CC1 ZINC000285325869 196251456 /nfs/dbraw/zinc/25/14/56/196251456.db2.gz UAEMOWOQDVQOLY-UHFFFAOYSA-N 2 0 290.451 2.792 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651705338 413580289 /nfs/dbraw/zinc/58/02/89/413580289.db2.gz PHPAXSNUBAMSBI-SQNIBIBYSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000651713802 413586195 /nfs/dbraw/zinc/58/61/95/413586195.db2.gz DSDGYXXRVCMIKE-ZACQAIPSSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1nccs1 ZINC000657436442 413604623 /nfs/dbraw/zinc/60/46/23/413604623.db2.gz UTMMTDFVNTYYQM-GFCCVEGCSA-N 2 0 299.403 2.617 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422774217 287268446 /nfs/dbraw/zinc/26/84/46/287268446.db2.gz WDSGXDHLODXXSC-BZUAXINKSA-N 2 0 267.461 2.501 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000651758107 413619996 /nfs/dbraw/zinc/61/99/96/413619996.db2.gz OQWIMAYSKLXIEF-AWEZNQCLSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000651958967 413743951 /nfs/dbraw/zinc/74/39/51/413743951.db2.gz ZNFIOWHCDIMCMA-UHFFFAOYSA-N 2 0 282.391 2.998 20 0 CFADRP CCC(C)(C)OCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657489132 413677439 /nfs/dbraw/zinc/67/74/39/413677439.db2.gz LUHDGKISYZHFBT-UHFFFAOYSA-N 2 0 288.395 2.562 20 0 CFADRP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(F)(F)F ZINC000657493077 413680418 /nfs/dbraw/zinc/68/04/18/413680418.db2.gz WQZQGAKVCVFCJM-NSHDSACASA-N 2 0 298.312 2.945 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC000651865696 413684461 /nfs/dbraw/zinc/68/44/61/413684461.db2.gz FAMJYPOQISFHJW-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657499446 413694349 /nfs/dbraw/zinc/69/43/49/413694349.db2.gz FHIQGQKGYZVPHE-MGPQQGTHSA-N 2 0 268.364 2.546 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000657524792 413702119 /nfs/dbraw/zinc/70/21/19/413702119.db2.gz LRYVKWWWJCUQPK-WBVHZDCISA-N 2 0 287.451 2.728 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1 ZINC000657522266 413702845 /nfs/dbraw/zinc/70/28/45/413702845.db2.gz BZZCWUNYNSABCQ-MRXNPFEDSA-N 2 0 289.423 2.607 20 0 CFADRP CC[N@H+](CCC[NH2+]C[C@H](C)COC)C1CCCCC1 ZINC000651910251 413712105 /nfs/dbraw/zinc/71/21/05/413712105.db2.gz MNXCZTUACYCCND-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000651928766 413720403 /nfs/dbraw/zinc/72/04/03/413720403.db2.gz SSXLCMKPSHOPEL-GOSISDBHSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000657550614 413730907 /nfs/dbraw/zinc/73/09/07/413730907.db2.gz JRIJNAKVYGZODR-HOCLYGCPSA-N 2 0 268.364 2.608 20 0 CFADRP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCC1 ZINC000657558186 413737709 /nfs/dbraw/zinc/73/77/09/413737709.db2.gz BCPAMGNZBGLROI-QGZVFWFLSA-N 2 0 280.456 2.534 20 0 CFADRP CO[C@@H](C)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285484472 196300192 /nfs/dbraw/zinc/30/01/92/196300192.db2.gz IJPNHOXPGOFKEJ-WMZOPIPTSA-N 2 0 288.435 2.619 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC000657574341 413763425 /nfs/dbraw/zinc/76/34/25/413763425.db2.gz WQYHTSXDXYNHPT-UEICXMAYSA-N 2 0 289.467 2.561 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000285499558 196306182 /nfs/dbraw/zinc/30/61/82/196306182.db2.gz FAQVERQXSMERTM-BPQIPLTHSA-N 2 0 290.451 2.772 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000657803133 413953269 /nfs/dbraw/zinc/95/32/69/413953269.db2.gz IEZMPGNGCQOVOD-CVEARBPZSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000652353454 413901380 /nfs/dbraw/zinc/90/13/80/413901380.db2.gz KHAOLWCKUDNCCW-CHWSQXEVSA-N 2 0 278.827 2.911 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351645 413901531 /nfs/dbraw/zinc/90/15/31/413901531.db2.gz NMTJUFDWXBZDQQ-QAETUUGQSA-N 2 0 280.456 2.643 20 0 CFADRP Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000652358507 413904569 /nfs/dbraw/zinc/90/45/69/413904569.db2.gz NXDIRZQLLCRCTA-GDBMZVCRSA-N 2 0 276.399 2.832 20 0 CFADRP COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000652358521 413905257 /nfs/dbraw/zinc/90/52/57/413905257.db2.gz OOPZCPWAHNDHQZ-SJORKVTESA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000664692023 413905852 /nfs/dbraw/zinc/90/58/52/413905852.db2.gz GFUXEIMILFWFLM-CRAIPNDOSA-N 2 0 288.435 2.628 20 0 CFADRP Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000652358509 413908525 /nfs/dbraw/zinc/90/85/25/413908525.db2.gz NXDIRZQLLCRCTA-HOCLYGCPSA-N 2 0 276.399 2.832 20 0 CFADRP FCC1(CF)CC([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000657856741 414005122 /nfs/dbraw/zinc/00/51/22/414005122.db2.gz PPIJZHMTORDVAL-UHFFFAOYSA-N 2 0 272.383 2.681 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000657873557 414017065 /nfs/dbraw/zinc/01/70/65/414017065.db2.gz XZSOQDQFVPNEQY-QGZVFWFLSA-N 2 0 298.434 2.960 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000657814090 413960228 /nfs/dbraw/zinc/96/02/28/413960228.db2.gz HNMVPXPRLYONRD-XOIINTDNSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)n1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657813327 413962357 /nfs/dbraw/zinc/96/23/57/413962357.db2.gz OGXFSYBQHYQUIB-UHFFFAOYSA-N 2 0 290.455 2.676 20 0 CFADRP Cc1cccn2c(C[NH2+][C@H](c3ccccc3)[C@@H](C)O)cnc12 ZINC000657814957 413962708 /nfs/dbraw/zinc/96/27/08/413962708.db2.gz GUDSLBVGJDTWLI-PBHICJAKSA-N 2 0 295.386 2.854 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)CCC1 ZINC000657825045 413980145 /nfs/dbraw/zinc/98/01/45/413980145.db2.gz VHTUTEXQJSTTMR-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000657827752 413980739 /nfs/dbraw/zinc/98/07/39/413980739.db2.gz NQFIGBJPIINBLC-MRXNPFEDSA-N 2 0 284.407 2.569 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657829849 413982201 /nfs/dbraw/zinc/98/22/01/413982201.db2.gz AJFHWQKFLLIRPP-LLVKDONJSA-N 2 0 250.377 2.986 20 0 CFADRP C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cnccc2o1 ZINC000657834525 413987411 /nfs/dbraw/zinc/98/74/11/413987411.db2.gz KUKVSCPBYBWBOQ-OLZOCXBDSA-N 2 0 285.391 2.963 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657890881 414033833 /nfs/dbraw/zinc/03/38/33/414033833.db2.gz QYHDBDXFISOWSS-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420316236 287275162 /nfs/dbraw/zinc/27/51/62/287275162.db2.gz LXUAOBLVDHYUDD-SQNIBIBYSA-N 3 0 293.499 2.572 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261986675 287275400 /nfs/dbraw/zinc/27/54/00/287275400.db2.gz JVSINBWEQUIWDW-FGTMMUONSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc2cnccc2o1 ZINC000657939202 414067863 /nfs/dbraw/zinc/06/78/63/414067863.db2.gz VNOGBPCRCYFWAQ-GFCCVEGCSA-N 2 0 271.364 2.740 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCSCC2)CCCC1 ZINC000657973455 414083114 /nfs/dbraw/zinc/08/31/14/414083114.db2.gz GGENLTLWHPBXMO-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP Cc1cccc2nc(CC[NH2+]C3CC(CF)(CF)C3)cn21 ZINC000658042290 414127719 /nfs/dbraw/zinc/12/77/19/414127719.db2.gz CICVBILXQJZXHQ-UHFFFAOYSA-N 2 0 293.361 2.863 20 0 CFADRP CCC[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068511 414152985 /nfs/dbraw/zinc/15/29/85/414152985.db2.gz FOBZOJCTFAVGKD-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C([NH2+][C@H]1CCC12CCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000658069524 414154398 /nfs/dbraw/zinc/15/43/98/414154398.db2.gz GNGHWHVFEZBKHS-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccoc1 ZINC000665263314 414221372 /nfs/dbraw/zinc/22/13/72/414221372.db2.gz KGMRIMBZDTZHAI-DZGCQCFKSA-N 2 0 250.386 2.723 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2ccccc21 ZINC000665264619 414222334 /nfs/dbraw/zinc/22/23/34/414222334.db2.gz DVGUFEFJXSBHGZ-DLBZAZTESA-N 2 0 285.435 2.970 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265097 414222571 /nfs/dbraw/zinc/22/25/71/414222571.db2.gz OZTSVHMQZOYDGW-YOEHRIQHSA-N 2 0 285.435 2.699 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000665266882 414224584 /nfs/dbraw/zinc/22/45/84/414224584.db2.gz LFVUHWFADDEAHZ-UYSNPLJNSA-N 2 0 279.472 2.501 20 0 CFADRP CCC[C@@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658134528 414229030 /nfs/dbraw/zinc/22/90/30/414229030.db2.gz BCQCHVVVAUTRFC-QZTJIDSGSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)(C)C ZINC000658139144 414231300 /nfs/dbraw/zinc/23/13/00/414231300.db2.gz LGGRGLMBBORMEQ-YOEHRIQHSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000665277138 414237816 /nfs/dbraw/zinc/23/78/16/414237816.db2.gz UTCXWGAYEOFBEB-GXTWGEPZSA-N 2 0 289.448 2.817 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000658090487 414183474 /nfs/dbraw/zinc/18/34/74/414183474.db2.gz KNWOAXVJJLZRDU-CZUORRHYSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234573 414191270 /nfs/dbraw/zinc/19/12/70/414191270.db2.gz GFKZFFDBPSBKGT-YUELXQCFSA-N 2 0 293.842 2.636 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234797 414192482 /nfs/dbraw/zinc/19/24/82/414192482.db2.gz KEFLQHMQGWOIET-MELADBBJSA-N 2 0 295.858 2.882 20 0 CFADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665235944 414192758 /nfs/dbraw/zinc/19/27/58/414192758.db2.gz DADWOIZPEAWCHV-AJSFGMTHSA-N 2 0 276.399 2.938 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239392 414196781 /nfs/dbraw/zinc/19/67/81/414196781.db2.gz SNFWZTXDLKGGGE-RHSMWYFYSA-N 2 0 283.419 2.755 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244443 414201989 /nfs/dbraw/zinc/20/19/89/414201989.db2.gz NFWAONRAXDWQNV-WFASDCNBSA-N 2 0 292.398 2.974 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000665246753 414204343 /nfs/dbraw/zinc/20/43/43/414204343.db2.gz MVPJVPKZAGRNLB-IRXDYDNUSA-N 2 0 260.425 2.953 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000665245258 414204634 /nfs/dbraw/zinc/20/46/34/414204634.db2.gz CTCMOAFXFQDUSO-KZNAEPCWSA-N 2 0 272.436 2.824 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCc3ccccc3C2)CCCC1 ZINC000665247027 414205118 /nfs/dbraw/zinc/20/51/18/414205118.db2.gz UFCLCMAXSLPIPK-MRXNPFEDSA-N 2 0 258.409 2.795 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)oc1C ZINC000658108113 414207462 /nfs/dbraw/zinc/20/74/62/414207462.db2.gz PJVYNJGBALAMQC-LSDHHAIUSA-N 2 0 295.471 2.819 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000665246751 414207474 /nfs/dbraw/zinc/20/74/74/414207474.db2.gz MVPJVPKZAGRNLB-DLBZAZTESA-N 2 0 260.425 2.953 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000658107827 414208128 /nfs/dbraw/zinc/20/81/28/414208128.db2.gz KGRXWBXCEZIKMC-MAUKXSAKSA-N 2 0 289.467 2.536 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000658110303 414210825 /nfs/dbraw/zinc/21/08/25/414210825.db2.gz XHVQTQHDBBMNPC-WMZOPIPTSA-N 2 0 291.483 2.999 20 0 CFADRP COC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C(C)C ZINC000665257909 414218299 /nfs/dbraw/zinc/21/82/99/414218299.db2.gz YCQWSVFKEBWYHR-BRWVUGGUSA-N 2 0 294.414 2.532 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000665261815 414218764 /nfs/dbraw/zinc/21/87/64/414218764.db2.gz MBGZQEALLIZUFP-AWEZNQCLSA-N 2 0 276.380 2.585 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000665279808 414244622 /nfs/dbraw/zinc/24/46/22/414244622.db2.gz MUKFUOAPKWUCKJ-BAPHQMLMSA-N 2 0 250.430 2.774 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1(CO)CC1 ZINC000658161447 414245817 /nfs/dbraw/zinc/24/58/17/414245817.db2.gz SZZQJMVUUHGPKR-INMHGKMJSA-N 2 0 294.483 2.780 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1 ZINC000665282427 414248581 /nfs/dbraw/zinc/24/85/81/414248581.db2.gz YAIJZTDSHFSELP-HUUCEWRRSA-N 2 0 284.831 2.991 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000665283074 414249896 /nfs/dbraw/zinc/24/98/96/414249896.db2.gz HGXTXHZJIKRFPP-BZUAXINKSA-N 2 0 268.445 2.689 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283935 414253532 /nfs/dbraw/zinc/25/35/32/414253532.db2.gz XMAWKJIRTMVTIS-GPANFISMSA-N 2 0 268.445 2.689 20 0 CFADRP c1coc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665283581 414255676 /nfs/dbraw/zinc/25/56/76/414255676.db2.gz QEGIWLRBXHMQJE-ARFHVFGLSA-N 2 0 262.397 2.723 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000665290351 414264650 /nfs/dbraw/zinc/26/46/50/414264650.db2.gz VBILPSDJUMCJFP-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000665300106 414272900 /nfs/dbraw/zinc/27/29/00/414272900.db2.gz YJUYUJRCPOPYLY-FUHWJXTLSA-N 2 0 290.451 2.698 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000665300110 414273364 /nfs/dbraw/zinc/27/33/64/414273364.db2.gz YMILJPCJQPQGAX-IPELMVKDSA-N 2 0 299.462 2.843 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)F)[C@@H](C)C1 ZINC000658192179 414274306 /nfs/dbraw/zinc/27/43/06/414274306.db2.gz AGSGBKMQKFQNFX-GJZGRUSLSA-N 2 0 288.451 2.851 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])CC(F)(F)F ZINC000665301303 414274958 /nfs/dbraw/zinc/27/49/58/414274958.db2.gz UGZXKOIFEWGCIQ-VHSXEESVSA-N 2 0 252.324 2.682 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccoc2)[C@H](C)C1 ZINC000658197424 414278182 /nfs/dbraw/zinc/27/81/82/414278182.db2.gz GBFBMDCCAIDSIZ-NVXWUHKLSA-N 2 0 294.439 2.549 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658227713 414300427 /nfs/dbraw/zinc/30/04/27/414300427.db2.gz BUICKGRNXJKDEP-BQFCYCMXSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CC[NH+](C)CC1 ZINC000658281197 414338091 /nfs/dbraw/zinc/33/80/91/414338091.db2.gz NRIZUGSNWOCVDI-PWSUYJOCSA-N 2 0 260.372 2.598 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655691562 414366567 /nfs/dbraw/zinc/36/65/67/414366567.db2.gz VIVGZHZYCIJXSX-INIZCTEOSA-N 2 0 290.455 2.820 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000658313156 414367399 /nfs/dbraw/zinc/36/73/99/414367399.db2.gz BYLGVNSXTFMODA-INIZCTEOSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C1CCCC1 ZINC000658316443 414369026 /nfs/dbraw/zinc/36/90/26/414369026.db2.gz QFNSZHHQVUQTBD-QBPKDAKJSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)C1CCCC1 ZINC000658314932 414369429 /nfs/dbraw/zinc/36/94/29/414369429.db2.gz KPYWCQAKEIFPBS-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](OC)C2CCCC2)CC1 ZINC000658314226 414370718 /nfs/dbraw/zinc/37/07/18/414370718.db2.gz GZJQBZFEKVKPMI-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000658317816 414372079 /nfs/dbraw/zinc/37/20/79/414372079.db2.gz MYJHBPWUUBPFLV-STQMWFEESA-N 2 0 289.448 2.911 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655698461 414373371 /nfs/dbraw/zinc/37/33/71/414373371.db2.gz FEIYZKIJUZCTRX-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CS1 ZINC000655702391 414375672 /nfs/dbraw/zinc/37/56/72/414375672.db2.gz VMLWUFCYYQUTKJ-JSGCOSHPSA-N 2 0 268.470 2.877 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2C)[C@@H](C)C1 ZINC000658351094 414396490 /nfs/dbraw/zinc/39/64/90/414396490.db2.gz BDFFKLQZNUTMMY-BBRMVZONSA-N 2 0 276.424 2.824 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658331566 414382283 /nfs/dbraw/zinc/38/22/83/414382283.db2.gz KXHMYUCWIDMDMB-HPBDAGMYSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000655715964 414386000 /nfs/dbraw/zinc/38/60/00/414386000.db2.gz MFMOZXPYKRWFHI-GXTWGEPZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000655751657 414409049 /nfs/dbraw/zinc/40/90/49/414409049.db2.gz PLCOQAXSXVMEQT-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP COc1cccc(C2([NH2+]CCCn3ccnc3)CCC2)c1 ZINC000662109155 414412015 /nfs/dbraw/zinc/41/20/15/414412015.db2.gz HAINPCVVLUTQAV-UHFFFAOYSA-N 2 0 285.391 2.951 20 0 CFADRP CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000655839932 414472860 /nfs/dbraw/zinc/47/28/60/414472860.db2.gz YYTQLNCNTFDAGL-KBUPBQIOSA-N 2 0 266.429 2.549 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655784585 414431985 /nfs/dbraw/zinc/43/19/85/414431985.db2.gz DFEAFACHKXNXNQ-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CC1(COC)CCC1 ZINC000662180267 414446260 /nfs/dbraw/zinc/44/62/60/414446260.db2.gz QAFUKZIBVUNDOS-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000655803946 414448521 /nfs/dbraw/zinc/44/85/21/414448521.db2.gz JMQZNVKXUIUASB-FIDHJVLJSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000655804859 414449019 /nfs/dbraw/zinc/44/90/19/414449019.db2.gz DOVQGDVWTQOQAN-RSAASHCRSA-N 2 0 280.362 2.882 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000655805003 414449208 /nfs/dbraw/zinc/44/92/08/414449208.db2.gz IBZBKPIJOIIAGQ-UPJWGTAASA-N 2 0 250.386 2.833 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000655804823 414449428 /nfs/dbraw/zinc/44/94/28/414449428.db2.gz COHWIJJJYAKSFK-BNOWGMLFSA-N 2 0 250.386 2.887 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000655804551 414449722 /nfs/dbraw/zinc/44/97/22/414449722.db2.gz ZLRKORSVGSZHLC-ZENOOKHLSA-N 2 0 274.408 2.699 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1N(C)C ZINC000655805742 414450475 /nfs/dbraw/zinc/45/04/75/414450475.db2.gz RVPSEJDYKHEVLE-KFWWJZLASA-N 2 0 275.440 2.743 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000655805532 414450490 /nfs/dbraw/zinc/45/04/90/414450490.db2.gz IPFQBYKPVPLOEO-WZRBSPASSA-N 2 0 268.351 2.956 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1 ZINC000655805512 414450512 /nfs/dbraw/zinc/45/05/12/414450512.db2.gz OTBVRBOTUUDYQI-VNQPRFMTSA-N 2 0 261.413 2.853 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805709 414450702 /nfs/dbraw/zinc/45/07/02/414450702.db2.gz KKMAMAIWYQVBEO-FPMFFAJLSA-N 2 0 252.427 2.609 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(F)c1F ZINC000655806007 414451200 /nfs/dbraw/zinc/45/12/00/414451200.db2.gz WRSVBHJTFJUQLX-SDDRHHMPSA-N 2 0 268.351 2.956 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805243 414451317 /nfs/dbraw/zinc/45/13/17/414451317.db2.gz DBVLOKKBVSNJRO-OFQRWUPVSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805708 414451395 /nfs/dbraw/zinc/45/13/95/414451395.db2.gz KKMAMAIWYQVBEO-BNOWGMLFSA-N 2 0 252.427 2.609 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805196 414451503 /nfs/dbraw/zinc/45/15/03/414451503.db2.gz KMFHYUQSJXBXDE-NFAWXSAZSA-N 2 0 264.388 2.687 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655807042 414451689 /nfs/dbraw/zinc/45/16/89/414451689.db2.gz HNWHRGBJPBMXTB-MELADBBJSA-N 2 0 292.423 2.695 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ncc(C)cc2C)[C@H](C)C1 ZINC000655812121 414455346 /nfs/dbraw/zinc/45/53/46/414455346.db2.gz ZSHLWSVOWPVFDQ-NVXWUHKLSA-N 2 0 275.440 2.561 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000655826569 414462437 /nfs/dbraw/zinc/46/24/37/414462437.db2.gz JDPUFEMTGGPBFA-VDISTLRHSA-N 2 0 290.436 2.568 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000655825664 414462775 /nfs/dbraw/zinc/46/27/75/414462775.db2.gz LQNYVXMDXQWSMX-XBXGTLAGSA-N 2 0 258.365 2.863 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826504 414463128 /nfs/dbraw/zinc/46/31/28/414463128.db2.gz GQOIZJVHCUTPBL-JONQDZQNSA-N 2 0 250.430 2.909 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cscc2Cl)C1 ZINC000655827612 414464737 /nfs/dbraw/zinc/46/47/37/414464737.db2.gz VCCDQIPJCFQYSS-JGZJWPJOSA-N 2 0 258.818 2.831 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000655827035 414464811 /nfs/dbraw/zinc/46/48/11/414464811.db2.gz OBPCKARKRAFCTR-AOOOYVTPSA-N 2 0 258.818 2.831 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000655837641 414469888 /nfs/dbraw/zinc/46/98/88/414469888.db2.gz GJNVJASLAHJWRF-AWEZNQCLSA-N 2 0 275.440 2.865 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H](CC)CC(F)F)CC1 ZINC000662246285 414474046 /nfs/dbraw/zinc/47/40/46/414474046.db2.gz SBMHIWRTIFJALZ-GFCCVEGCSA-N 2 0 262.388 2.989 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000658352973 414398457 /nfs/dbraw/zinc/39/84/57/414398457.db2.gz AQPWQWDEQPURHI-CQSZACIVSA-N 2 0 290.455 2.676 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000658355809 414399889 /nfs/dbraw/zinc/39/98/89/414399889.db2.gz KTKGCZWNMMDLLX-CQSZACIVSA-N 2 0 273.424 2.854 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccn(C)n1 ZINC000658356751 414400709 /nfs/dbraw/zinc/40/07/09/414400709.db2.gz PCDVBZJMRDNEGA-INIZCTEOSA-N 2 0 290.455 2.583 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000655848604 414476159 /nfs/dbraw/zinc/47/61/59/414476159.db2.gz IJAGFJOKDMAHDO-XHSDSOJGSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)c1ccc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249215 414476551 /nfs/dbraw/zinc/47/65/51/414476551.db2.gz JQIWJTIPXVCSPV-QGZVFWFLSA-N 2 0 288.435 2.763 20 0 CFADRP Oc1ccc2c(c1)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662252950 414477419 /nfs/dbraw/zinc/47/74/19/414477419.db2.gz RRMKAIMQXFXKCL-UHFFFAOYSA-N 2 0 294.398 2.596 20 0 CFADRP c1ccc(N2CC[C@H]([NH2+][C@H]3CCCN4CCCC[C@@H]34)C2)cc1 ZINC000655848621 414477596 /nfs/dbraw/zinc/47/75/96/414477596.db2.gz IYIBIBRLYGFUGO-WDSOQIARSA-N 2 0 299.462 2.872 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255374 414479131 /nfs/dbraw/zinc/47/91/31/414479131.db2.gz OVEKLGVCGSZICI-WBVHZDCISA-N 2 0 286.419 2.517 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000662256334 414479896 /nfs/dbraw/zinc/47/98/96/414479896.db2.gz VATPNVUZSQEWOJ-HNNXBMFYSA-N 2 0 278.440 2.554 20 0 CFADRP Cc1ccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C(C)C)s1 ZINC000662254427 414480084 /nfs/dbraw/zinc/48/00/84/414480084.db2.gz QOVLHIXQFAQVBR-AWEZNQCLSA-N 2 0 294.464 2.788 20 0 CFADRP CC(C)[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000662259257 414481286 /nfs/dbraw/zinc/48/12/86/414481286.db2.gz SXDPJYINSPUVGE-KRWDZBQOSA-N 2 0 290.476 2.906 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662264218 414482416 /nfs/dbraw/zinc/48/24/16/414482416.db2.gz CIIOBIFVIXZIOK-VXGBXAGGSA-N 2 0 275.421 2.508 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662271439 414487076 /nfs/dbraw/zinc/48/70/76/414487076.db2.gz GJJNRLPFLLRFQJ-CYBMUJFWSA-N 2 0 289.448 2.900 20 0 CFADRP CC[C@H]1C[N@H+](CCSc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000662273356 414489501 /nfs/dbraw/zinc/48/95/01/414489501.db2.gz URKIUDAVAXCZRL-XJKSGUPXSA-N 2 0 294.464 2.847 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274723 414490020 /nfs/dbraw/zinc/49/00/20/414490020.db2.gz KVAVNFDRNROETJ-MGPQQGTHSA-N 2 0 274.399 2.989 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274037 414490341 /nfs/dbraw/zinc/49/03/41/414490341.db2.gz SLDXYMNPMGVDCY-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662275357 414490703 /nfs/dbraw/zinc/49/07/03/414490703.db2.gz BANIXAJGXGHGSF-RRFJBIMHSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C1CCCC1 ZINC000662275128 414491004 /nfs/dbraw/zinc/49/10/04/414491004.db2.gz SKFWPSZBBXHFHV-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+][C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1c1cccc(F)c1 ZINC000662280321 414492148 /nfs/dbraw/zinc/49/21/48/414492148.db2.gz CLAJVBDESZWGPC-IPUKNANDSA-N 2 0 288.410 2.988 20 0 CFADRP CO[C@@H](C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000662283968 414494623 /nfs/dbraw/zinc/49/46/23/414494623.db2.gz SGRAOZBHYLMEDJ-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc2c(CC[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)noc2c1 ZINC000655941067 414494865 /nfs/dbraw/zinc/49/48/65/414494865.db2.gz LRBRZXYEUZNJPC-INIZCTEOSA-N 2 0 299.418 2.834 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662283909 414495535 /nfs/dbraw/zinc/49/55/35/414495535.db2.gz RJSUYBDHLZNXMX-LOWDOPEQSA-N 2 0 262.388 2.973 20 0 CFADRP COc1ccc(C(C)C)cc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000655938360 414496203 /nfs/dbraw/zinc/49/62/03/414496203.db2.gz SZUVKDROKIGIQA-XJKSGUPXSA-N 2 0 276.424 2.988 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000662291535 414496628 /nfs/dbraw/zinc/49/66/28/414496628.db2.gz HSSZVERIETWXKH-DZGCQCFKSA-N 2 0 277.412 2.756 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292541 414497149 /nfs/dbraw/zinc/49/71/49/414497149.db2.gz GAJHCGOXNXWICT-GOEBONIOSA-N 2 0 273.424 2.854 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000662285559 414497233 /nfs/dbraw/zinc/49/72/33/414497233.db2.gz LMPQNPVZEHHDRE-DYEKYZERSA-N 2 0 260.372 2.729 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)noc2c1 ZINC000655941374 414497338 /nfs/dbraw/zinc/49/73/38/414497338.db2.gz RTHFBAPNNJAWMO-PBHICJAKSA-N 2 0 299.418 2.834 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CCCC1 ZINC000662286188 414497628 /nfs/dbraw/zinc/49/76/28/414497628.db2.gz PMDLFZWPLGXUAQ-CWRNSKLLSA-N 2 0 268.445 2.641 20 0 CFADRP C(C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662287428 414497673 /nfs/dbraw/zinc/49/76/73/414497673.db2.gz ZUBVEAVNZUQDOI-SJORKVTESA-N 2 0 292.467 2.942 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000655948097 414497840 /nfs/dbraw/zinc/49/78/40/414497840.db2.gz XZQFRZXVVKJVPP-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)oc1C ZINC000662293518 414497939 /nfs/dbraw/zinc/49/79/39/414497939.db2.gz LRXQQWHBQVXKPY-OAHLLOKOSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295265 414499250 /nfs/dbraw/zinc/49/92/50/414499250.db2.gz UTIUKDNLPOZBOF-YOEHRIQHSA-N 2 0 273.424 2.854 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CCCC1 ZINC000662294590 414499422 /nfs/dbraw/zinc/49/94/22/414499422.db2.gz RGTNUBNWEVFGFD-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+]CC12CC(C1)CN2CC[C@@H]1CCc2ccccc21 ZINC000662305245 414500547 /nfs/dbraw/zinc/50/05/47/414500547.db2.gz FVAWTSBCNGSWFC-GULBITTBSA-N 2 0 256.393 2.530 20 0 CFADRP [NH3+][C@H]1CCc2ccccc2N(CCC[NH+]2CCCCC2)C1 ZINC000662301402 414500852 /nfs/dbraw/zinc/50/08/52/414500852.db2.gz FOWZFLIWHQZADC-KRWDZBQOSA-N 2 0 287.451 2.643 20 0 CFADRP [NH3+]C[C@@H]1CCc2ccccc2N1CCCC1CC[NH2+]CC1 ZINC000662304885 414501318 /nfs/dbraw/zinc/50/13/18/414501318.db2.gz NNCMQNXPRQGAIE-KRWDZBQOSA-N 2 0 287.451 2.546 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1F ZINC000662303091 414501475 /nfs/dbraw/zinc/50/14/75/414501475.db2.gz SBMYWLIUNSNHJB-CZUORRHYSA-N 2 0 292.398 2.633 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312398 414503196 /nfs/dbraw/zinc/50/31/96/414503196.db2.gz FYPNHBBFOWGXOW-MLGOLLRUSA-N 2 0 279.428 2.885 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000662311358 414503291 /nfs/dbraw/zinc/50/32/91/414503291.db2.gz RXWOFJQZWXJBJS-QAPCUYQASA-N 2 0 288.435 2.658 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000662312621 414503390 /nfs/dbraw/zinc/50/33/90/414503390.db2.gz IQBSPLWTDMFLPU-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP FCC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662310220 414503484 /nfs/dbraw/zinc/50/34/84/414503484.db2.gz ICQNFGLIQZHDEP-CQSZACIVSA-N 2 0 276.399 2.904 20 0 CFADRP C(C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3)C[NH+]1CCCCC1 ZINC000662310386 414504164 /nfs/dbraw/zinc/50/41/64/414504164.db2.gz RTCGZVZALXNCMT-HDICACEKSA-N 2 0 292.467 2.755 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nc1 ZINC000662317848 414505134 /nfs/dbraw/zinc/50/51/34/414505134.db2.gz TVOITUMWKQITFN-RHSMWYFYSA-N 2 0 291.439 2.820 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)[C@H]1CCC[NH2+]C1 ZINC000662316545 414505661 /nfs/dbraw/zinc/50/56/61/414505661.db2.gz VMUIETWVIOUSOW-IXDOHACOSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662320883 414506144 /nfs/dbraw/zinc/50/61/44/414506144.db2.gz XSRRTKWDPUESJR-SFHVURJKSA-N 2 0 290.451 2.846 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325948 414507782 /nfs/dbraw/zinc/50/77/82/414507782.db2.gz MAOKGIIJCZGLEM-KGLIPLIRSA-N 2 0 292.414 2.710 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC000662324146 414507842 /nfs/dbraw/zinc/50/78/42/414507842.db2.gz VHXOKNXZPJDNEH-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000662321697 414508122 /nfs/dbraw/zinc/50/81/22/414508122.db2.gz CQFAKWVJDIEZOX-KZNAEPCWSA-N 2 0 288.435 2.585 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1(COC)CCCCC1 ZINC000662339976 414512599 /nfs/dbraw/zinc/51/25/99/414512599.db2.gz SLGXCVGHEMSFLC-UHFFFAOYSA-N 2 0 256.434 2.657 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000656193893 414529962 /nfs/dbraw/zinc/52/99/62/414529962.db2.gz XGWIGBKOAYDRTH-HZPDHXFCSA-N 2 0 281.488 2.891 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198079 414531550 /nfs/dbraw/zinc/53/15/50/414531550.db2.gz CYNTVPSYIHWRBI-LQULJDIASA-N 2 0 254.418 2.582 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C1 ZINC000656199093 414534645 /nfs/dbraw/zinc/53/46/45/414534645.db2.gz LIHFIIRECKBFBN-QWRGUYRKSA-N 2 0 286.778 2.717 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000656201059 414534837 /nfs/dbraw/zinc/53/48/37/414534837.db2.gz JGIYBQCFVDTZRE-CSMYWGQOSA-N 2 0 267.376 2.747 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000656201858 414535168 /nfs/dbraw/zinc/53/51/68/414535168.db2.gz SZRGVLAFACOXEJ-DGCLKSJQSA-N 2 0 278.387 2.544 20 0 CFADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000662421547 414538160 /nfs/dbraw/zinc/53/81/60/414538160.db2.gz KDIGZBPRHJQYKK-OLZOCXBDSA-N 2 0 277.412 2.656 20 0 CFADRP Cc1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000656476164 414589773 /nfs/dbraw/zinc/58/97/73/414589773.db2.gz AULVHXDJLWLPIU-UHFFFAOYSA-N 2 0 285.391 2.784 20 0 CFADRP CCN(Cc1ccc(Cl)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858967 414592719 /nfs/dbraw/zinc/59/27/19/414592719.db2.gz YIJHKUYTWDKXKG-INIZCTEOSA-N 2 0 298.858 2.863 20 0 CFADRP CC(C)[NH+]1CCC(N(C)CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659867972 414599089 /nfs/dbraw/zinc/59/90/89/414599089.db2.gz LOOIWOQFYDGESP-CALCHBBNSA-N 2 0 295.515 2.769 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662782257 414608791 /nfs/dbraw/zinc/60/87/91/414608791.db2.gz IGAFMTIMBQNZSB-QGZVFWFLSA-N 2 0 295.386 2.579 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000659949217 414628058 /nfs/dbraw/zinc/62/80/58/414628058.db2.gz VDOUTVDRZAZSDH-WMZOPIPTSA-N 2 0 294.483 2.999 20 0 CFADRP C([C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)[NH+]1CCCC1 ZINC000659946184 414626008 /nfs/dbraw/zinc/62/60/08/414626008.db2.gz DGSORQJMVSZHJU-LTIDMASMSA-N 2 0 262.441 2.840 20 0 CFADRP CCC[C@@H]([NH3+])c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456220 414581177 /nfs/dbraw/zinc/58/11/77/414581177.db2.gz UTWSNRVAFDHGLC-HZPDHXFCSA-N 2 0 299.422 2.525 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659843680 414582179 /nfs/dbraw/zinc/58/21/79/414582179.db2.gz XWZONACKHIDYEN-GDBMZVCRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000659973697 414637265 /nfs/dbraw/zinc/63/72/65/414637265.db2.gz FYGJULJUGFJBNA-BZSNNMDCSA-N 2 0 295.515 2.628 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659976637 414637494 /nfs/dbraw/zinc/63/74/94/414637494.db2.gz TUIHNNFJXLWGEP-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)=CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000659974480 414638049 /nfs/dbraw/zinc/63/80/49/414638049.db2.gz MSQDMISPCCCIKV-UHFFFAOYSA-N 2 0 280.456 2.920 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCC1 ZINC000659974451 414638252 /nfs/dbraw/zinc/63/82/52/414638252.db2.gz MGAHCBSWFZWCJB-FUHWJXTLSA-N 2 0 294.483 2.855 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000038040936 174041009 /nfs/dbraw/zinc/04/10/09/174041009.db2.gz SCUQHSNLPQDETJ-NSHDSACASA-N 2 0 252.789 2.613 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041648 174042719 /nfs/dbraw/zinc/04/27/19/174042719.db2.gz DUPOOPFGGDICCB-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041647 174043756 /nfs/dbraw/zinc/04/37/56/174043756.db2.gz DUPOOPFGGDICCB-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000659956847 414631808 /nfs/dbraw/zinc/63/18/08/414631808.db2.gz NQPWSELSYRUMQQ-FUHWJXTLSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@H](CC(F)F)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000660004224 414648333 /nfs/dbraw/zinc/64/83/33/414648333.db2.gz UUVRZBYLOXPIJK-CYBMUJFWSA-N 2 0 283.366 2.885 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000656696105 414641325 /nfs/dbraw/zinc/64/13/25/414641325.db2.gz XESFZUJTHJKYRK-WCXIOVBPSA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000659997112 414645572 /nfs/dbraw/zinc/64/55/72/414645572.db2.gz MBHVWDFBQHXMAP-BPQIPLTHSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000415071370 287289294 /nfs/dbraw/zinc/28/92/94/287289294.db2.gz SSZAFFWDPTWLSE-NXHRZFHOSA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660108705 414663954 /nfs/dbraw/zinc/66/39/54/414663954.db2.gz YUBVOCMUPBMQBC-XDNAFOTISA-N 2 0 293.499 2.523 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCCCCC1)N1CC[NH+](C)CC1 ZINC000040435613 174261368 /nfs/dbraw/zinc/26/13/68/174261368.db2.gz GVRDTICTYPEWGP-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115455 414664792 /nfs/dbraw/zinc/66/47/92/414664792.db2.gz OLRWFXAIKVHQDW-RYQLBKOJSA-N 2 0 292.467 2.750 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)s1 ZINC000040600683 174350748 /nfs/dbraw/zinc/35/07/48/174350748.db2.gz JTMKWMVJVOSWFO-GFCCVEGCSA-N 2 0 252.427 2.742 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000040623507 174355568 /nfs/dbraw/zinc/35/55/68/174355568.db2.gz ACWGCBPHAZLCFA-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347724 414677935 /nfs/dbraw/zinc/67/79/35/414677935.db2.gz UAXVLCITTZNXMH-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000044513766 175189256 /nfs/dbraw/zinc/18/92/56/175189256.db2.gz TVZBJKYQWOSYOK-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000044515279 175189898 /nfs/dbraw/zinc/18/98/98/175189898.db2.gz LHZFAXAQLRWJKL-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1F ZINC000044515623 175190000 /nfs/dbraw/zinc/19/00/00/175190000.db2.gz ANEGFDGULKGKJT-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516306 175190442 /nfs/dbraw/zinc/19/04/42/175190442.db2.gz CNNDHVUPAQHNHT-CQSZACIVSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044528040 175192869 /nfs/dbraw/zinc/19/28/69/175192869.db2.gz NXTGFOFJWIZJKF-OAHLLOKOSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000044534406 175196759 /nfs/dbraw/zinc/19/67/59/175196759.db2.gz RCYBFHPUZLSZJV-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044534576 175197866 /nfs/dbraw/zinc/19/78/66/175197866.db2.gz GLKDJHRULJAYRY-ZBFHGGJFSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044535059 175198801 /nfs/dbraw/zinc/19/88/01/175198801.db2.gz XELJORFIJSYZHZ-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000044537837 175199462 /nfs/dbraw/zinc/19/94/62/175199462.db2.gz NABKLOMALBHYJB-CYBMUJFWSA-N 2 0 255.365 2.989 20 0 CFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000045598293 175381956 /nfs/dbraw/zinc/38/19/56/175381956.db2.gz VLHVMUMHMUTSLD-OCCSQVGLSA-N 2 0 250.386 2.834 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676493 287300928 /nfs/dbraw/zinc/30/09/28/287300928.db2.gz ZGQHQKDEUSLZPR-XDNAFOTISA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000346215471 287307143 /nfs/dbraw/zinc/30/71/43/287307143.db2.gz KIFLVRPIBZKBCF-CVEARBPZSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414827709 287311302 /nfs/dbraw/zinc/31/13/02/287311302.db2.gz HOSVXCRDCFMANX-JFIYKMOQSA-N 3 0 293.499 2.619 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938456 176013262 /nfs/dbraw/zinc/01/32/62/176013262.db2.gz MXSQYEPQLTVDRR-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000071170286 176050857 /nfs/dbraw/zinc/05/08/57/176050857.db2.gz ZZZFEYJPECTSOZ-UHFFFAOYSA-N 2 0 288.435 2.974 20 0 CFADRP CCCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000078775126 177385962 /nfs/dbraw/zinc/38/59/62/177385962.db2.gz PUYOUNVAGKNSHH-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247042315 287348120 /nfs/dbraw/zinc/34/81/20/287348120.db2.gz MUCTXZQLQWUCLV-ZACQAIPSSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192931477 227389966 /nfs/dbraw/zinc/38/99/66/227389966.db2.gz LZKLMGGZVVTOLY-NJAFHUGGSA-N 2 0 288.435 2.523 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400919135 420503465 /nfs/dbraw/zinc/50/34/65/420503465.db2.gz DYAXLEBYWQTVRX-VNQPRFMTSA-N 2 0 283.419 2.688 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400906076 420503599 /nfs/dbraw/zinc/50/35/99/420503599.db2.gz BBTPGEGTMAOJHZ-SPWCGHHHSA-N 2 0 278.465 2.965 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000400981272 420502263 /nfs/dbraw/zinc/50/22/63/420502263.db2.gz UORCJXPODXXKBN-QLFBSQMISA-N 2 0 250.430 2.790 20 0 CFADRP c1ccc(SCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400943808 420502376 /nfs/dbraw/zinc/50/23/76/420502376.db2.gz UCOIFTAAFCWBHA-SOUVJXGZSA-N 2 0 276.449 2.756 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400915683 420502584 /nfs/dbraw/zinc/50/25/84/420502584.db2.gz DAPSDXSBVQPPBX-USXIJHARSA-N 2 0 281.403 2.713 20 0 CFADRP CCn1c2ccccc2nc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000516867408 260201329 /nfs/dbraw/zinc/20/13/29/260201329.db2.gz WMJBUMUXDOQKCR-UHFFFAOYSA-N 2 0 298.434 2.632 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000521067668 260365353 /nfs/dbraw/zinc/36/53/53/260365353.db2.gz AHAMDXHBWLNQGH-GVDBMIGSSA-N 2 0 275.440 2.669 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC000020201939 262238959 /nfs/dbraw/zinc/23/89/59/262238959.db2.gz PYPZRLXSQJTLQA-KRWDZBQOSA-N 2 0 283.504 2.817 20 0 CFADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393432214 262356915 /nfs/dbraw/zinc/35/69/15/262356915.db2.gz JDMVFOBGQRNUNZ-UGFHNGPFSA-N 2 0 262.397 2.518 20 0 CFADRP FC(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000314655036 265173502 /nfs/dbraw/zinc/17/35/02/265173502.db2.gz AYSUWFJBGNTVCF-OKILXGFUSA-N 2 0 296.361 2.719 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000519595431 265486122 /nfs/dbraw/zinc/48/61/22/265486122.db2.gz FMTUVBHEGILRNH-CHWSQXEVSA-N 2 0 250.386 2.691 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000514660396 266030210 /nfs/dbraw/zinc/03/02/10/266030210.db2.gz HKLCJKLNTZVHPT-LSDHHAIUSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000514660395 266031014 /nfs/dbraw/zinc/03/10/14/266031014.db2.gz HKLCJKLNTZVHPT-HUUCEWRRSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc2ccccc12 ZINC000514660563 266032102 /nfs/dbraw/zinc/03/21/02/266032102.db2.gz OZJDYDCBWYLMCF-GYABFAJESA-N 2 0 281.403 2.840 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040620724 270227075 /nfs/dbraw/zinc/22/70/75/270227075.db2.gz RRTLPURCWXPQJA-OAHLLOKOSA-N 2 0 262.397 2.515 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192437410 270232132 /nfs/dbraw/zinc/23/21/32/270232132.db2.gz WHSKKQWMCXUPRJ-MRXNPFEDSA-N 2 0 290.451 2.874 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000192803073 270234757 /nfs/dbraw/zinc/23/47/57/270234757.db2.gz PRPOSYBGHSOWHW-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000192745996 270233875 /nfs/dbraw/zinc/23/38/75/270233875.db2.gz FXGFEJLRJGFJDW-ROUUACIJSA-N 2 0 295.515 2.913 20 0 CFADRP CC[C@]1(C)CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192748772 270233933 /nfs/dbraw/zinc/23/39/33/270233933.db2.gz VUSIBKDXZJUVTQ-GOSISDBHSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000192750644 270233983 /nfs/dbraw/zinc/23/39/83/270233983.db2.gz PTZCXBYZVXVXRG-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000250221022 270272640 /nfs/dbraw/zinc/27/26/40/270272640.db2.gz WHUXJHNYNJYTQZ-CABCVRRESA-N 2 0 292.423 2.666 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000258867274 270274391 /nfs/dbraw/zinc/27/43/91/270274391.db2.gz AKJOHBXIDDRHFK-AWEZNQCLSA-N 2 0 262.397 2.565 20 0 CFADRP [NH3+]CC1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000260376703 270275242 /nfs/dbraw/zinc/27/52/42/270275242.db2.gz DJKSGZMCMSTCTN-UHFFFAOYSA-N 2 0 284.403 2.889 20 0 CFADRP FC1(F)CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000311953298 270288592 /nfs/dbraw/zinc/28/85/92/270288592.db2.gz YDHFISNZVIQFPW-MELADBBJSA-N 2 0 272.383 2.743 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000393652776 270308163 /nfs/dbraw/zinc/30/81/63/270308163.db2.gz QSPXHGDSOLRGSF-XUWVNRHRSA-N 2 0 282.472 2.684 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394885213 270309893 /nfs/dbraw/zinc/30/98/93/270309893.db2.gz PFCIWQJBVGGGAS-LVQVYYBASA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000395009273 270311043 /nfs/dbraw/zinc/31/10/43/270311043.db2.gz VCKBRDJOBBPQRN-MNEFBYGVSA-N 2 0 298.430 2.610 20 0 CFADRP C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000395093844 270311143 /nfs/dbraw/zinc/31/11/43/270311143.db2.gz RSSQEOHAXMSWHO-WMZOPIPTSA-N 3 0 289.467 2.629 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1 ZINC000395641148 270313101 /nfs/dbraw/zinc/31/31/01/270313101.db2.gz DLQFAMUTRLJSMD-UHFFFAOYSA-N 2 0 291.439 2.855 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC(C)(C)C2)CN1Cc1ccccc1 ZINC000396609079 270315396 /nfs/dbraw/zinc/31/53/96/270315396.db2.gz SPPCLKXQGOQDQF-OIISXLGYSA-N 2 0 288.435 2.807 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000397255727 270316913 /nfs/dbraw/zinc/31/69/13/270316913.db2.gz FIVNXIGZHSGRKH-MDZLAQPJSA-N 2 0 252.427 2.862 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397310632 270317264 /nfs/dbraw/zinc/31/72/64/270317264.db2.gz OSDSMOMYSVDFGZ-AVGNSLFASA-N 2 0 252.427 2.862 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1C[NH3+] ZINC000397471902 270318618 /nfs/dbraw/zinc/31/86/18/270318618.db2.gz XDTVGTBENBBFFF-HLLBOEOZSA-N 2 0 298.434 2.678 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000422931310 270332436 /nfs/dbraw/zinc/33/24/36/270332436.db2.gz BNDZZKLWIQIHDK-ABAIWWIYSA-N 2 0 250.361 2.920 20 0 CFADRP c1cc(C[NH2+]CC[C@H]2CCOC2)cc(C[NH+]2CCCC2)c1 ZINC000437756651 270334011 /nfs/dbraw/zinc/33/40/11/270334011.db2.gz VLDSVYINDGUBLH-INIZCTEOSA-N 2 0 288.435 2.799 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000514994446 270359863 /nfs/dbraw/zinc/35/98/63/270359863.db2.gz KQQFKMQJIYCFSS-SFHVURJKSA-N 2 0 293.499 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311044 270367334 /nfs/dbraw/zinc/36/73/34/270367334.db2.gz AQUKCGDWZDTHCN-HOTGVXAUSA-N 3 0 267.461 2.502 20 0 CFADRP C[C@@H]1c2ccccc2C[N@H+]1CCCc1cncn1C ZINC000515308470 270367568 /nfs/dbraw/zinc/36/75/68/270367568.db2.gz MKLMCEAHYKVIJY-CYBMUJFWSA-N 2 0 255.365 2.930 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000516516216 270383074 /nfs/dbraw/zinc/38/30/74/270383074.db2.gz NFHRUELCSCJPBM-LLVKDONJSA-N 2 0 270.467 2.901 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000516769078 270388017 /nfs/dbraw/zinc/38/80/17/270388017.db2.gz PARVYQCSTIXFND-CABCVRRESA-N 2 0 288.370 2.946 20 0 CFADRP c1ccc(C[C@H]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000521858928 270435843 /nfs/dbraw/zinc/43/58/43/270435843.db2.gz CDGVHEJOCDBHBA-MSOLQXFVSA-N 2 0 272.436 2.987 20 0 CFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000526974313 270489314 /nfs/dbraw/zinc/48/93/14/270489314.db2.gz WIDJHCYSAWUXOD-UHFFFAOYSA-N 2 0 294.414 2.999 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530212647 270770931 /nfs/dbraw/zinc/77/09/31/270770931.db2.gz RTODDRBNXJXUNG-IAGOWNOFSA-N 2 0 258.409 2.651 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)c1ccc(F)cc1 ZINC000530224111 270775311 /nfs/dbraw/zinc/77/53/11/270775311.db2.gz KXYZRIRPSJGHFG-UICACZKSSA-N 2 0 294.414 2.818 20 0 CFADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530227681 270776780 /nfs/dbraw/zinc/77/67/80/270776780.db2.gz YTBAPQLFTPMPAO-NENRRYLJSA-N 2 0 260.381 2.533 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2(C)CCC(F)(F)CC2)CC[NH2+]1 ZINC000530244764 270779386 /nfs/dbraw/zinc/77/93/86/270779386.db2.gz NHFGSPXTYABDAW-VXGBXAGGSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530248475 270779900 /nfs/dbraw/zinc/77/99/00/270779900.db2.gz KXLUGVTVMSYESK-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP CCOCCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000423006517 273696541 /nfs/dbraw/zinc/69/65/41/273696541.db2.gz VPAPLJMUYCOBBL-NVXWUHKLSA-N 2 0 290.451 2.741 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414862611 273960525 /nfs/dbraw/zinc/96/05/25/273960525.db2.gz VPNOVKDLZBACIM-GFCCVEGCSA-N 2 0 297.830 2.565 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420364039 274042916 /nfs/dbraw/zinc/04/29/16/274042916.db2.gz CLPKXWBXPKDBCK-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423113614 274070108 /nfs/dbraw/zinc/07/01/08/274070108.db2.gz URCCRMLOZDHOMG-RYQLBKOJSA-N 2 0 288.435 2.679 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(C(F)(F)F)c1 ZINC000422880402 274110303 /nfs/dbraw/zinc/11/03/03/274110303.db2.gz OAYVOSALRBZJDE-JTQLQIEISA-N 2 0 290.329 2.931 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)CCCC[NH3+])CC2 ZINC000415009210 274125908 /nfs/dbraw/zinc/12/59/08/274125908.db2.gz FBDJWZLDRQPPJM-CJNGLKHVSA-N 2 0 276.424 2.660 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000415013649 274127579 /nfs/dbraw/zinc/12/75/79/274127579.db2.gz YTBCQZWTPACXEL-IAOVAPTHSA-N 2 0 288.435 2.660 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423404718 274137468 /nfs/dbraw/zinc/13/74/68/274137468.db2.gz XPPJWNLPBRUOGD-XJKCOSOUSA-N 2 0 260.381 2.542 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423409977 274139205 /nfs/dbraw/zinc/13/92/05/274139205.db2.gz ZHAPEBWGJCYCAP-OAUYIBNBSA-N 2 0 274.408 2.660 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000335138560 274140723 /nfs/dbraw/zinc/14/07/23/274140723.db2.gz PKSKFRIRRVAQQE-MGULZYLOSA-N 2 0 278.371 2.681 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000414994973 274153352 /nfs/dbraw/zinc/15/33/52/274153352.db2.gz FGZPPCOWOFLIAX-BMFZPTHFSA-N 2 0 288.435 2.660 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C2 ZINC000414811007 274153608 /nfs/dbraw/zinc/15/36/08/274153608.db2.gz VVRVQJPCWOZNRJ-HLLBOEOZSA-N 2 0 288.435 2.660 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423309781 274214253 /nfs/dbraw/zinc/21/42/53/274214253.db2.gz QRGLOCIGJJRNGW-TVQRCGJNSA-N 2 0 283.213 2.621 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc2c1CCCN2 ZINC000415037596 274229984 /nfs/dbraw/zinc/22/99/84/274229984.db2.gz OYYMUXOHEWKKJY-ZFWWWQNUSA-N 2 0 273.424 2.665 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000261576173 274377362 /nfs/dbraw/zinc/37/73/62/274377362.db2.gz BZDMVAZVYLYFEV-MFKMUULPSA-N 2 0 272.314 2.793 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)CC[NH2+]1 ZINC000423403555 274393649 /nfs/dbraw/zinc/39/36/49/274393649.db2.gz YKRKOVUYBPTGMD-NTZNESFSSA-N 2 0 250.411 2.856 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CC[NH2+]1 ZINC000423374433 274394329 /nfs/dbraw/zinc/39/43/29/274394329.db2.gz JYMINEMYESCYKN-WPGHFRTFSA-N 2 0 262.372 2.933 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423188137 274945477 /nfs/dbraw/zinc/94/54/77/274945477.db2.gz LJQPOMURUHUTMD-NSHDSACASA-N 2 0 287.176 2.514 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361081802 275061597 /nfs/dbraw/zinc/06/15/97/275061597.db2.gz SNHTUYIWTPMAFJ-KEYYUXOJSA-N 2 0 286.419 2.986 20 0 CFADRP C(CN1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420306615 275391908 /nfs/dbraw/zinc/39/19/08/275391908.db2.gz QNPDUDDOHXITFY-QGZVFWFLSA-N 2 0 293.499 2.574 20 0 CFADRP C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000335738109 275393136 /nfs/dbraw/zinc/39/31/36/275393136.db2.gz NODASPSKLNUABB-CABCVRRESA-N 2 0 268.470 2.736 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360986201 275395883 /nfs/dbraw/zinc/39/58/83/275395883.db2.gz KEDYDMPKTMYCKC-HZMVEIRTSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000361027785 275662053 /nfs/dbraw/zinc/66/20/53/275662053.db2.gz ZRXZMDRPBGSBLE-GJZGRUSLSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[NH3+] ZINC000423317666 275671903 /nfs/dbraw/zinc/67/19/03/275671903.db2.gz CVLNENBEWGCQJK-OAHLLOKOSA-N 2 0 252.377 2.721 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449161565 275728377 /nfs/dbraw/zinc/72/83/77/275728377.db2.gz PIIREWNRSPTCEV-WBVHZDCISA-N 2 0 292.467 2.800 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235665220 275919566 /nfs/dbraw/zinc/91/95/66/275919566.db2.gz JIVRPXKDANMGPN-CJNGLKHVSA-N 2 0 250.430 2.910 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000070346228 276001935 /nfs/dbraw/zinc/00/19/35/276001935.db2.gz AUOTXTLUEXACII-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353499542 276003979 /nfs/dbraw/zinc/00/39/79/276003979.db2.gz VEVXXIHRDMDCLK-RCCFBDPRSA-N 3 0 293.499 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000340479164 276004467 /nfs/dbraw/zinc/00/44/67/276004467.db2.gz XJBLMWWGTXVHJZ-UHFFFAOYSA-N 3 0 281.488 2.717 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093488539 276004561 /nfs/dbraw/zinc/00/45/61/276004561.db2.gz LUOMIZGGIPSHSL-FGTMMUONSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CS1 ZINC000488451663 276033351 /nfs/dbraw/zinc/03/33/51/276033351.db2.gz VXLNXWAUOUNODW-LSDHHAIUSA-N 2 0 270.486 2.979 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247055217 276075929 /nfs/dbraw/zinc/07/59/29/276075929.db2.gz PEVYIKFXXHPBLQ-MAUKXSAKSA-N 3 0 289.467 2.711 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000173784585 276106214 /nfs/dbraw/zinc/10/62/14/276106214.db2.gz KDOWVAKZHPYEQU-KRWDZBQOSA-N 2 0 290.451 2.901 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000304335948 276109478 /nfs/dbraw/zinc/10/94/78/276109478.db2.gz WXHVBBAFQTXZTA-AQFXKWCLSA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422780711 276111020 /nfs/dbraw/zinc/11/10/20/276111020.db2.gz DFSUUPGXYDZQSG-QAPCUYQASA-N 2 0 289.467 2.616 20 0 CFADRP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000226435432 276136175 /nfs/dbraw/zinc/13/61/75/276136175.db2.gz PEYNITPPYSLYEO-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000358751012 276148744 /nfs/dbraw/zinc/14/87/44/276148744.db2.gz MWFSTMIQRDGIMM-MRXNPFEDSA-N 2 0 290.455 2.509 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(OC)CCCCC2)C1 ZINC000359694534 276165806 /nfs/dbraw/zinc/16/58/06/276165806.db2.gz JFBBYHWGYZSCED-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000353106110 276203604 /nfs/dbraw/zinc/20/36/04/276203604.db2.gz CWNAGZBUHFGPMC-RDJZCZTQSA-N 2 0 287.451 2.717 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)C1 ZINC000163251710 276212399 /nfs/dbraw/zinc/21/23/99/276212399.db2.gz IOYKYADWUXRJES-ZQIUZPCESA-N 2 0 258.409 2.851 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C)[C@H](C)C1 ZINC000174779078 276213924 /nfs/dbraw/zinc/21/39/24/276213924.db2.gz AODBSZGXIGCHRK-NVXWUHKLSA-N 2 0 289.467 2.915 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C)[C@@H](C)C1 ZINC000245412422 276214021 /nfs/dbraw/zinc/21/40/21/276214021.db2.gz AODBSZGXIGCHRK-DOTOQJQBSA-N 2 0 289.467 2.915 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCOC)CCCC2)[C@@H](C)C1 ZINC000246947533 276228320 /nfs/dbraw/zinc/22/83/20/276228320.db2.gz HEXSOVGKZLDYGT-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[C@H](C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000356346968 276284578 /nfs/dbraw/zinc/28/45/78/276284578.db2.gz ZMRQMALACIOXPY-RRFJBIMHSA-N 2 0 256.434 2.702 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000338308109 276324534 /nfs/dbraw/zinc/32/45/34/276324534.db2.gz QRKKTLFSYATZEM-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000349664428 276327813 /nfs/dbraw/zinc/32/78/13/276327813.db2.gz LQJNUFSAAXHGET-CQSZACIVSA-N 2 0 268.401 2.597 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000269071565 276357863 /nfs/dbraw/zinc/35/78/63/276357863.db2.gz MVURXURXKAIAFS-CXAGYDPISA-N 2 0 294.414 2.759 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000374360510 276358713 /nfs/dbraw/zinc/35/87/13/276358713.db2.gz QTNLHRONSGYBSZ-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)OC ZINC000419269174 276423327 /nfs/dbraw/zinc/42/33/27/276423327.db2.gz OGOXJJDYRBYHAC-HNNXBMFYSA-N 2 0 299.418 2.782 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422819701 276510721 /nfs/dbraw/zinc/51/07/21/276510721.db2.gz NPIJVPRYPIGNDE-AAVRWANBSA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000246109130 276515851 /nfs/dbraw/zinc/51/58/51/276515851.db2.gz JQVIBRXKOUBTKU-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000246091530 276516141 /nfs/dbraw/zinc/51/61/41/276516141.db2.gz IPVZEMVTNVRXKF-XMTFNYHQSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000247239645 276516210 /nfs/dbraw/zinc/51/62/10/276516210.db2.gz WSOFODPXYLOVGA-BRSBDYLESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCOC1 ZINC000355073588 276531757 /nfs/dbraw/zinc/53/17/57/276531757.db2.gz ZMEHXPWVWKHLBP-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000421376448 276639981 /nfs/dbraw/zinc/63/99/81/276639981.db2.gz HBNVMUXJNWVEGN-WBVHZDCISA-N 2 0 289.423 2.598 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000331800576 276692670 /nfs/dbraw/zinc/69/26/70/276692670.db2.gz JWYBQTIYPMJWFI-GRYCIOLGSA-N 2 0 279.453 2.942 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[C@H]1C1CC1 ZINC000423167236 276817190 /nfs/dbraw/zinc/81/71/90/276817190.db2.gz DWSWWTIEMQOPSB-FPSMNIFISA-N 2 0 292.467 2.559 20 0 CFADRP C1[C@@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@@H]1C1CC[NH2+]CC1 ZINC000423446142 276853907 /nfs/dbraw/zinc/85/39/07/276853907.db2.gz SMBZVXXMQHLZSB-IGKNDFSCSA-N 2 0 292.467 2.559 20 0 CFADRP CC[C@H](F)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000440701187 287923046 /nfs/dbraw/zinc/92/30/46/287923046.db2.gz JLBBMPZFLZDRRJ-FMKPAKJESA-N 2 0 286.435 2.556 20 0 CFADRP C[NH2+]CC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000347000686 277021100 /nfs/dbraw/zinc/02/11/00/277021100.db2.gz GTGRIGGOHYMVPT-IHWYPQMZSA-N 2 0 262.372 2.770 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000187573042 277026262 /nfs/dbraw/zinc/02/62/62/277026262.db2.gz DQRMGYUHNGEVPG-OAHLLOKOSA-N 2 0 262.397 2.979 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc3cccnc3o2)CC1 ZINC000334624923 277038493 /nfs/dbraw/zinc/03/84/93/277038493.db2.gz QFEMZIWUDPAJTO-UHFFFAOYSA-N 2 0 285.391 2.888 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000366597982 277044228 /nfs/dbraw/zinc/04/42/28/277044228.db2.gz MRKSJMWFNYMZRZ-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000161524863 277077534 /nfs/dbraw/zinc/07/75/34/277077534.db2.gz NCELOFVYMUIJSW-HNNXBMFYSA-N 2 0 280.456 2.894 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCCCC3)CC[C@H]21 ZINC000247949203 277083705 /nfs/dbraw/zinc/08/37/05/277083705.db2.gz DVRFCVMSGYPOJW-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]CC2CCC(C)(C)CC2)CC1(C)C ZINC000441361006 277106224 /nfs/dbraw/zinc/10/62/24/277106224.db2.gz YLAKBZHYEAPVGR-UHFFFAOYSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000376834506 277152232 /nfs/dbraw/zinc/15/22/32/277152232.db2.gz YGZBOFPTHRQCPG-OAGGEKHMSA-N 2 0 292.467 2.797 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC000429030650 277160509 /nfs/dbraw/zinc/16/05/09/277160509.db2.gz SDBCRGSWDASDNO-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@H]2CCC[C@@H]21 ZINC000453318398 277171515 /nfs/dbraw/zinc/17/15/15/277171515.db2.gz LQHPXBKJEVOGLL-CRWXNKLISA-N 2 0 272.383 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@H]2CCC[C@H]21 ZINC000353666894 277171652 /nfs/dbraw/zinc/17/16/52/277171652.db2.gz AJHWRPPUJBXBFY-LJISPDSOSA-N 2 0 268.470 2.735 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423040377 277192918 /nfs/dbraw/zinc/19/29/18/277192918.db2.gz UBGYLOFKQRJDPT-QDIHITRGSA-N 2 0 268.445 2.831 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414968408 277199487 /nfs/dbraw/zinc/19/94/87/277199487.db2.gz FQCPIYDBKHGFPX-JKSUJKDBSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945899 277214960 /nfs/dbraw/zinc/21/49/60/277214960.db2.gz BNKFVUQUFMEWBG-GDBMZVCRSA-N 2 0 280.456 2.750 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]CCOCC[NH3+])c1ccc(F)cc1F ZINC000420396491 277227378 /nfs/dbraw/zinc/22/73/78/277227378.db2.gz FJKXAJPPJMDVCL-AWEZNQCLSA-N 2 0 286.366 2.617 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000358241083 277244860 /nfs/dbraw/zinc/24/48/60/277244860.db2.gz RSKXLBAHZBJLFL-JJXSEGSLSA-N 2 0 280.456 2.797 20 0 CFADRP COC[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512329811 277258438 /nfs/dbraw/zinc/25/84/38/277258438.db2.gz IGFKLBXCRIFQEY-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414753161 277260728 /nfs/dbraw/zinc/26/07/28/277260728.db2.gz DEWGSOSSESWOPC-NXHRZFHOSA-N 2 0 290.451 2.564 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423281901 277282546 /nfs/dbraw/zinc/28/25/46/277282546.db2.gz VWVMCCBRJKMSBI-BLLLJJGKSA-N 2 0 276.424 2.863 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423140355 277297470 /nfs/dbraw/zinc/29/74/70/277297470.db2.gz XWLGSICKZJKRMG-OWCLPIDISA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)=CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171306126 277324735 /nfs/dbraw/zinc/32/47/35/277324735.db2.gz KXGOPJKAMYHPJC-HZPDHXFCSA-N 2 0 280.456 2.774 20 0 CFADRP CC(C)=CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335599839 277326505 /nfs/dbraw/zinc/32/65/05/277326505.db2.gz SEQLGACAUKLTGP-DOTOQJQBSA-N 2 0 272.392 2.798 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000246417225 277332470 /nfs/dbraw/zinc/33/24/70/277332470.db2.gz MXJGQANHCWFMJH-DLTLXFJOSA-N 2 0 294.414 2.832 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422818972 277386626 /nfs/dbraw/zinc/38/66/26/277386626.db2.gz LVRVVIQQCMWKTP-ROUUACIJSA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423002523 277387763 /nfs/dbraw/zinc/38/77/63/277387763.db2.gz ZCTHEWUMWLYMRR-ZACQAIPSSA-N 2 0 281.488 2.747 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423373691 277394792 /nfs/dbraw/zinc/39/47/92/277394792.db2.gz RZRBPUIWVWWVFB-VNHYZAJKSA-N 2 0 290.407 2.551 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250166052 277612908 /nfs/dbraw/zinc/61/29/08/277612908.db2.gz HYQMSTJMRXYDMR-RCCFBDPRSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414067414 277618615 /nfs/dbraw/zinc/61/86/15/277618615.db2.gz AHADYPIHFFTBQL-UYJHQMFVSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422886578 278002589 /nfs/dbraw/zinc/00/25/89/278002589.db2.gz XBBSWENYEAMTRN-XDNAFOTISA-N 3 0 295.515 2.994 20 0 CFADRP COc1cccc2c1CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000193710275 278028074 /nfs/dbraw/zinc/02/80/74/278028074.db2.gz PWBCWOFVLAJFNA-INIZCTEOSA-N 2 0 288.435 2.580 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C2 ZINC000414823692 278034984 /nfs/dbraw/zinc/03/49/84/278034984.db2.gz PESLEJLSPOUVCF-BPUTZDHNSA-N 2 0 288.435 2.530 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344678527 278045953 /nfs/dbraw/zinc/04/59/53/278045953.db2.gz LRAHMKVLAUFYOC-GMRZMDSISA-N 2 0 274.408 2.781 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422755952 278048547 /nfs/dbraw/zinc/04/85/47/278048547.db2.gz IHLCNOYMAMWADS-YJBOKZPZSA-N 2 0 298.430 2.786 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423250796 278049775 /nfs/dbraw/zinc/04/97/75/278049775.db2.gz VLJLPPHONZFQEB-QGTPRVQTSA-N 2 0 289.467 2.930 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000355649609 278076487 /nfs/dbraw/zinc/07/64/87/278076487.db2.gz LOTZVJBDZMYEIY-UHFFFAOYSA-N 2 0 289.423 2.793 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775101 278166939 /nfs/dbraw/zinc/16/69/39/278166939.db2.gz GDVCODALNUKGGF-NXHRZFHOSA-N 2 0 294.483 2.761 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423166423 278170067 /nfs/dbraw/zinc/17/00/67/278170067.db2.gz CNQVLRHYMLRVKB-YCPHGPKFSA-N 2 0 261.413 2.523 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)C[NH+]1CCCC1 ZINC000338000194 278210927 /nfs/dbraw/zinc/21/09/27/278210927.db2.gz UVINZVLCCZWCSS-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H](CCN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000400514599 278233939 /nfs/dbraw/zinc/23/39/39/278233939.db2.gz GEKJYFVLUMXLEX-XYJFISCASA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423312712 278245549 /nfs/dbraw/zinc/24/55/49/278245549.db2.gz VKHLUNYDDFWVTI-HZMBPMFUSA-N 2 0 252.789 2.902 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000304672353 278257307 /nfs/dbraw/zinc/25/73/07/278257307.db2.gz CHVSXWYFLLIHOD-RDJZCZTQSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCO1 ZINC000346467884 278258369 /nfs/dbraw/zinc/25/83/69/278258369.db2.gz UZZHVWBKVWUROW-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397979 278273555 /nfs/dbraw/zinc/27/35/55/278273555.db2.gz INLKTFDYJJYCJI-LTIDMASMSA-N 2 0 293.499 2.712 20 0 CFADRP CC1(C)CC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000184653998 278275933 /nfs/dbraw/zinc/27/59/33/278275933.db2.gz MAFPUCDGGMQVMJ-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300275267 278337249 /nfs/dbraw/zinc/33/72/49/278337249.db2.gz NDYNHIMHABQTBW-TUKIKUTGSA-N 2 0 262.397 2.518 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H]2CCSC2)C1 ZINC000486951376 278341741 /nfs/dbraw/zinc/34/17/41/278341741.db2.gz QCJSCUUMLOWQIB-GJZGRUSLSA-N 2 0 270.486 2.841 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cn[nH]c1 ZINC000340472638 278343612 /nfs/dbraw/zinc/34/36/12/278343612.db2.gz IQKSBACPMIXDTP-UONOGXRCSA-N 2 0 264.417 2.572 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cnn(C)c1 ZINC000247002987 278343697 /nfs/dbraw/zinc/34/36/97/278343697.db2.gz KSMJQTQVKPOFDJ-LSDHHAIUSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000423241052 278348219 /nfs/dbraw/zinc/34/82/19/278348219.db2.gz CVGCJBSBAHEYJT-KGLIPLIRSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc2c(s1)CCCC2 ZINC000423299360 278349340 /nfs/dbraw/zinc/34/93/40/278349340.db2.gz PWBMFAOTLOQLGZ-WDEREUQCSA-N 2 0 252.427 2.872 20 0 CFADRP CCC(CC)(C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)OC ZINC000423041717 278587677 /nfs/dbraw/zinc/58/76/77/278587677.db2.gz XVIJGGGPHUSOAX-CABCVRRESA-N 2 0 298.471 2.866 20 0 CFADRP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](CC)CC1)OC ZINC000341885185 278608985 /nfs/dbraw/zinc/60/89/85/278608985.db2.gz HXDCLMGIYDUXDF-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP CCC1(C)CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000349383528 278622202 /nfs/dbraw/zinc/62/22/02/278622202.db2.gz VEMYUOBWZOASCK-AOCRQIFASA-N 2 0 295.515 2.961 20 0 CFADRP CCC1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415008085 278652523 /nfs/dbraw/zinc/65/25/23/278652523.db2.gz MIIWOKQCVBTHFN-DISOXQEGSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000261606145 288070494 /nfs/dbraw/zinc/07/04/94/288070494.db2.gz RLPBSAHLHNFOBM-UHOFOFEASA-N 2 0 262.397 2.734 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccncc1 ZINC000423550010 288072597 /nfs/dbraw/zinc/07/25/97/288072597.db2.gz NOSMCWIFUMRIGC-JJXSEGSLSA-N 2 0 259.397 2.510 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129100999 288076172 /nfs/dbraw/zinc/07/61/72/288076172.db2.gz NEGNTCRZXODQDK-ZBFHGGJFSA-N 2 0 293.430 2.582 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093513889 278805431 /nfs/dbraw/zinc/80/54/31/278805431.db2.gz WFRWLIDYYKZGQV-NVXWUHKLSA-N 2 0 281.488 2.761 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000482872039 278932506 /nfs/dbraw/zinc/93/25/06/278932506.db2.gz IHIRLAANHUVSFU-BBWFWOEESA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000414732318 278995864 /nfs/dbraw/zinc/99/58/64/278995864.db2.gz IQFVZBUTDNZWPS-CVEARBPZSA-N 2 0 295.858 2.660 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000423249696 279001653 /nfs/dbraw/zinc/00/16/53/279001653.db2.gz PKYTUTSDMYVMBS-GOEBONIOSA-N 2 0 261.413 2.758 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000340287197 279040315 /nfs/dbraw/zinc/04/03/15/279040315.db2.gz WPHYKXSCMRSLDR-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000374098890 279095297 /nfs/dbraw/zinc/09/52/97/279095297.db2.gz IAJKEKQDDMZVIR-ROUUACIJSA-N 2 0 295.515 2.771 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366764202 279100194 /nfs/dbraw/zinc/10/01/94/279100194.db2.gz UYUMIKFYIBZWRR-CVEARBPZSA-N 2 0 292.471 2.768 20 0 CFADRP CC[NH+](CC)CCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093496050 279100453 /nfs/dbraw/zinc/10/04/53/279100453.db2.gz GAAPBALPNHYTNB-HZPDHXFCSA-N 2 0 269.477 2.619 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367618949 279101517 /nfs/dbraw/zinc/10/15/17/279101517.db2.gz URDWAKLVFZOFKL-DZGCQCFKSA-N 2 0 278.444 2.887 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CCC2 ZINC000335021728 279119100 /nfs/dbraw/zinc/11/91/00/279119100.db2.gz DGBXZVIGXLBGCY-GFCCVEGCSA-N 2 0 279.453 2.808 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358380089 288105858 /nfs/dbraw/zinc/10/58/58/288105858.db2.gz WOJUAXYVNVDXFL-NQBHXWOUSA-N 2 0 260.372 2.883 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)CCCC[NH3+])CCC2 ZINC000423039379 279120209 /nfs/dbraw/zinc/12/02/09/279120209.db2.gz FGQCMOKAXSDMCC-ZYHUDNBSSA-N 2 0 267.442 2.936 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000420252438 279128309 /nfs/dbraw/zinc/12/83/09/279128309.db2.gz AXSATQJVIVXWJN-LSDHHAIUSA-N 2 0 281.403 2.897 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422562943 279252707 /nfs/dbraw/zinc/25/27/07/279252707.db2.gz RCRTYAVVEUIFCR-ANQUJSFKSA-N 2 0 282.472 2.744 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415009689 279255555 /nfs/dbraw/zinc/25/55/55/279255555.db2.gz FOIYRIUHOBQFJE-NUJGCVRESA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422912131 279255941 /nfs/dbraw/zinc/25/59/41/279255941.db2.gz VNEVYQQLCIHRNH-NVXWUHKLSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423023897 279256273 /nfs/dbraw/zinc/25/62/73/279256273.db2.gz KSGCJHBWZHGFAR-IAQYHMDHSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCc2ccccc2CC1 ZINC000449584524 279257845 /nfs/dbraw/zinc/25/78/45/279257845.db2.gz CQWKWXDWNRHWTL-CQSZACIVSA-N 2 0 260.425 2.864 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422964693 279370286 /nfs/dbraw/zinc/37/02/86/279370286.db2.gz MNMUCQTXBXGKKB-ZNMIVQPWSA-N 2 0 279.428 2.522 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000422951395 279370916 /nfs/dbraw/zinc/37/09/16/279370916.db2.gz YKPSEOMQADOONK-CWSCBRNRSA-N 2 0 268.788 2.879 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424363141 279378622 /nfs/dbraw/zinc/37/86/22/279378622.db2.gz BCTLHYIEOQHPPH-KCPJHIHWSA-N 2 0 250.361 2.616 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423112880 279435834 /nfs/dbraw/zinc/43/58/34/279435834.db2.gz SPCZJDJAGSZDDP-QJPTWQEYSA-N 2 0 276.346 2.839 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000423241053 279472398 /nfs/dbraw/zinc/47/23/98/279472398.db2.gz CVGCJBSBAHEYJT-UONOGXRCSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(Cl)c1 ZINC000261548044 279543342 /nfs/dbraw/zinc/54/33/42/279543342.db2.gz IZVGAZJFLLTGQI-MJVIPROJSA-N 2 0 252.789 2.989 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423060242 279649804 /nfs/dbraw/zinc/64/98/04/279649804.db2.gz NTFVGHQRGHYURG-UGFHNGPFSA-N 2 0 278.371 2.756 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783780 279687066 /nfs/dbraw/zinc/68/70/66/279687066.db2.gz ZYBIPLAMDSMPPC-DIECFANBSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423074239 279734935 /nfs/dbraw/zinc/73/49/35/279734935.db2.gz LFHALNDAIQKZRO-OWLYRPNTSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]CC(C)(C)C)C[C@H](C)O1 ZINC000237622691 288160407 /nfs/dbraw/zinc/16/04/07/288160407.db2.gz CZAWWXUOOWJEKV-OKILXGFUSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[NH+](C)C ZINC000360858390 280025716 /nfs/dbraw/zinc/02/57/16/280025716.db2.gz LESYHIXJUCPBTL-LRDDRELGSA-N 2 0 264.388 2.990 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000246933283 280153353 /nfs/dbraw/zinc/15/33/53/280153353.db2.gz HHQPBOANVXRETK-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261980376 280154153 /nfs/dbraw/zinc/15/41/53/280154153.db2.gz JDXXIOWQDYZFRT-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000335007789 280154269 /nfs/dbraw/zinc/15/42/69/280154269.db2.gz JQCBAZIKONMVGV-LSDHHAIUSA-N 2 0 264.800 2.998 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423518298 280184182 /nfs/dbraw/zinc/18/41/82/280184182.db2.gz ZLUZXRHAGKRJCO-DAWZGUTISA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@@H]1CCOC1 ZINC000121787423 280186408 /nfs/dbraw/zinc/18/64/08/280186408.db2.gz LMNJCZSJDJTNMY-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000132355437 280254392 /nfs/dbraw/zinc/25/43/92/280254392.db2.gz YQBVUBWFCVDXTP-KSZLIROESA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422961113 280254485 /nfs/dbraw/zinc/25/44/85/280254485.db2.gz ANEXELFMIPWCKZ-ZACQAIPSSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968325 280255209 /nfs/dbraw/zinc/25/52/09/280255209.db2.gz WIGDGBALZJGHAB-ZACQAIPSSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349103 280326542 /nfs/dbraw/zinc/32/65/42/280326542.db2.gz VDBWUDIYNSUECJ-HOTGVXAUSA-N 2 0 261.413 2.758 20 0 CFADRP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H](O)C[N@H+]1[C@H](C)CC[C@@H]1CC ZINC000447307326 280335840 /nfs/dbraw/zinc/33/58/40/280335840.db2.gz VCARWKGXVZCIIO-JGAFCMAOSA-N 2 0 282.472 2.873 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000227329906 280440423 /nfs/dbraw/zinc/44/04/23/280440423.db2.gz WFOUVKAEHFBFJA-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000090526196 280569468 /nfs/dbraw/zinc/56/94/68/280569468.db2.gz ZCGZZFDGGULJDN-DLBZAZTESA-N 2 0 292.467 2.533 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000124013669 280637403 /nfs/dbraw/zinc/63/74/03/280637403.db2.gz MTHDUHBZPVCGOH-HNNXBMFYSA-N 2 0 262.397 2.979 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000126925895 280658096 /nfs/dbraw/zinc/65/80/96/280658096.db2.gz FOQKHHMANFWBDB-HNNXBMFYSA-N 2 0 263.429 2.990 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cncs2)CC1 ZINC000130584753 280706143 /nfs/dbraw/zinc/70/61/43/280706143.db2.gz KNXDDZZWRNTBSL-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000415012097 280773708 /nfs/dbraw/zinc/77/37/08/280773708.db2.gz ILZPVLGQIUPYOT-ZIAGYGMSSA-N 2 0 266.433 2.502 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150968741 280797656 /nfs/dbraw/zinc/79/76/56/280797656.db2.gz HDPHSVHTWONMIU-ZWKOTPCHSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)C2CC2)CC1 ZINC000151380306 280802895 /nfs/dbraw/zinc/80/28/95/280802895.db2.gz AQLHCVWFLBMUIF-OAHLLOKOSA-N 2 0 287.451 2.717 20 0 CFADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCOC1 ZINC000355073586 280933581 /nfs/dbraw/zinc/93/35/81/280933581.db2.gz ZMEHXPWVWKHLBP-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000336807802 280943204 /nfs/dbraw/zinc/94/32/04/280943204.db2.gz NDFDLLYPFDGUQQ-XHSDSOJGSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246214547 280977037 /nfs/dbraw/zinc/97/70/37/280977037.db2.gz OFDWZFDZCSLJGY-GVDBMIGSSA-N 2 0 281.488 2.665 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000247222483 281007444 /nfs/dbraw/zinc/00/74/44/281007444.db2.gz XUKNZKYMCZRVTK-ROUUACIJSA-N 3 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000247204736 281007655 /nfs/dbraw/zinc/00/76/55/281007655.db2.gz WNCKJUKVZLRPFD-QBPKDAKJSA-N 2 0 295.515 2.815 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000247239589 281008668 /nfs/dbraw/zinc/00/86/68/281008668.db2.gz XKZIHNSPZNJGKW-KEYYUXOJSA-N 2 0 294.414 2.913 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000247239643 281008730 /nfs/dbraw/zinc/00/87/30/281008730.db2.gz XKZIHNSPZNJGKW-ZQIUZPCESA-N 2 0 294.414 2.913 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC000248034718 281017457 /nfs/dbraw/zinc/01/74/57/281017457.db2.gz RHOGHDZFXJZWFC-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000247991135 281017531 /nfs/dbraw/zinc/01/75/31/281017531.db2.gz JJOFGVSCEGBGBY-TVFCKZIOSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H](CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000248507707 281024205 /nfs/dbraw/zinc/02/42/05/281024205.db2.gz XOMUFMWTSPXPPS-YYIAUSFCSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000248930164 281041235 /nfs/dbraw/zinc/04/12/35/281041235.db2.gz XSKGUVXPHACPML-QLFBSQMISA-N 2 0 268.445 2.510 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423163039 281045472 /nfs/dbraw/zinc/04/54/72/281045472.db2.gz MFYOFNCGUPYOEP-MWDXBVQZSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249095981 281048252 /nfs/dbraw/zinc/04/82/52/281048252.db2.gz LZKLMGGZVVTOLY-NXHRZFHOSA-N 2 0 288.435 2.523 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000249291312 281055035 /nfs/dbraw/zinc/05/50/35/281055035.db2.gz PRPOSYBGHSOWHW-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252709931 281077121 /nfs/dbraw/zinc/07/71/21/281077121.db2.gz FFKJIRNFCUMRMU-DZGCQCFKSA-N 2 0 264.438 2.709 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000259225066 281111615 /nfs/dbraw/zinc/11/16/15/281111615.db2.gz XSTHCEGMVDGCDN-UWVGGRQHSA-N 2 0 289.242 2.523 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000268925898 281117726 /nfs/dbraw/zinc/11/77/26/281117726.db2.gz PYWQDDTZCZBWPD-UXLLHSPISA-N 2 0 276.424 2.664 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@H](C)C2 ZINC000423246091 281117804 /nfs/dbraw/zinc/11/78/04/281117804.db2.gz JWHBKTXIXWNUCL-CKEIUWERSA-N 2 0 258.409 2.818 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000268925899 281118021 /nfs/dbraw/zinc/11/80/21/281118021.db2.gz PYWQDDTZCZBWPD-ZMSDIMECSA-N 2 0 276.424 2.664 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525327 281138176 /nfs/dbraw/zinc/13/81/76/281138176.db2.gz KJROGKRYQJNFFB-UWRLEFKFSA-N 2 0 262.441 2.918 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420256301 281170349 /nfs/dbraw/zinc/17/03/49/281170349.db2.gz IZONLCJHJKRMQK-KBPBESRZSA-N 2 0 267.376 2.589 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CSC1(C)C ZINC000393860130 281193679 /nfs/dbraw/zinc/19/36/79/281193679.db2.gz FYEWZWXVXGCRPB-JHJVBQTASA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397054414 281199740 /nfs/dbraw/zinc/19/97/40/281199740.db2.gz GLPLTDGBDNZXLO-AWEZNQCLSA-N 2 0 282.815 2.577 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000396989082 281199958 /nfs/dbraw/zinc/19/99/58/281199958.db2.gz BEHYDJSSLAATNE-IRCOFANPSA-N 2 0 266.351 2.893 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414777310 281216302 /nfs/dbraw/zinc/21/63/02/281216302.db2.gz HZSFALWWQVVJLW-DLBZAZTESA-N 2 0 258.409 2.817 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000423009701 281223269 /nfs/dbraw/zinc/22/32/69/281223269.db2.gz DKOWZRKGTJSQLE-MJBXVCDLSA-N 2 0 264.413 2.589 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423776922 281225458 /nfs/dbraw/zinc/22/54/58/281225458.db2.gz QUIAQEKJCNCDSM-UONOGXRCSA-N 2 0 291.439 2.557 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCC3CCCC3)CC[C@@H]21 ZINC000459365100 281257183 /nfs/dbraw/zinc/25/71/83/281257183.db2.gz MEVVGPJPHKGEDL-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)[C@H]1SC ZINC000459391973 281261563 /nfs/dbraw/zinc/26/15/63/281261563.db2.gz KUXMYRYGKZRQOW-BZUAXINKSA-N 2 0 298.496 2.502 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459446649 281264399 /nfs/dbraw/zinc/26/43/99/281264399.db2.gz IQEWPSRSGOZNTL-GOSISDBHSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1(CO)CCCC1 ZINC000459545543 281268580 /nfs/dbraw/zinc/26/85/80/281268580.db2.gz SGCBFXSEEDLXLT-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000290290020 281299242 /nfs/dbraw/zinc/29/92/42/281299242.db2.gz XWWAVFCTODFBTI-BRWVUGGUSA-N 2 0 286.419 2.515 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000517557030 281307232 /nfs/dbraw/zinc/30/72/32/281307232.db2.gz VCEZWLBIYYJMAL-ULQWZQFMSA-N 2 0 290.451 2.502 20 0 CFADRP CC(C)(C)[NH2+]CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000521039730 281310711 /nfs/dbraw/zinc/31/07/11/281310711.db2.gz MLPLABONHQDIQP-OAHLLOKOSA-N 2 0 297.487 2.569 20 0 CFADRP C[C@@H]1CCN(CC[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000525288022 281313827 /nfs/dbraw/zinc/31/38/27/281313827.db2.gz JHSZYSRTBCEQNG-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220672 281317953 /nfs/dbraw/zinc/31/79/53/281317953.db2.gz YUJHFWUXBZQCEE-CZUORRHYSA-N 2 0 258.409 2.998 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CCN1CC[C@H](C)C1 ZINC000527348168 281329589 /nfs/dbraw/zinc/32/95/89/281329589.db2.gz FIHNWUVVGQKVTK-KBPBESRZSA-N 2 0 264.388 2.688 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332069653 281360534 /nfs/dbraw/zinc/36/05/34/281360534.db2.gz UWTRUTJUFFUYNT-UGFHNGPFSA-N 2 0 289.423 2.588 20 0 CFADRP CCc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc[nH+]1 ZINC000450527565 281384871 /nfs/dbraw/zinc/38/48/71/281384871.db2.gz ZQKKQIWNQXQRTP-CZUORRHYSA-N 2 0 259.397 2.707 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)C2CCOCC2)CC1 ZINC000531704250 281438292 /nfs/dbraw/zinc/43/82/92/281438292.db2.gz CUSLPPUQGWPSHW-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]1C[C@H](C[N@@H+]2CCCC23CC[NH+](C)CC3)CCO1 ZINC000336413355 288350939 /nfs/dbraw/zinc/35/09/39/288350939.db2.gz RUQLQGGSYPHEFM-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CCc1[nH+]c2ccccc2c(N2CC[NH+](C)CC2)c1C ZINC000558393284 281980763 /nfs/dbraw/zinc/98/07/63/281980763.db2.gz WABJLJVMHVGQSV-UHFFFAOYSA-N 2 0 269.392 2.857 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000559642272 282008597 /nfs/dbraw/zinc/00/85/97/282008597.db2.gz SENFHZWBNVYQTR-QGZVFWFLSA-N 2 0 292.467 2.517 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000355374863 282010731 /nfs/dbraw/zinc/01/07/31/282010731.db2.gz CONLJEBRECPRKU-GJZGRUSLSA-N 2 0 297.487 2.534 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000560907618 282043869 /nfs/dbraw/zinc/04/38/69/282043869.db2.gz BOOXETKBHLJQFM-SPUZQDLCSA-N 2 0 294.483 2.923 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000560961394 282044411 /nfs/dbraw/zinc/04/44/11/282044411.db2.gz MNOJWTZCUYQPMT-RYUDHWBXSA-N 2 0 265.426 2.628 20 0 CFADRP CCc1cc(N[C@@H](C)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000561434461 282054376 /nfs/dbraw/zinc/05/43/76/282054376.db2.gz HCJCJITVEHBZFW-LBPRGKRZSA-N 2 0 257.381 2.581 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000157258386 289060586 /nfs/dbraw/zinc/06/05/86/289060586.db2.gz YGZMPWFTYKYVLL-IAGOWNOFSA-N 2 0 287.451 2.985 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990349 289069132 /nfs/dbraw/zinc/06/91/32/289069132.db2.gz CDDYPMUZQNOYHC-NVXWUHKLSA-N 2 0 299.478 2.520 20 0 CFADRP C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000042781815 289097423 /nfs/dbraw/zinc/09/74/23/289097423.db2.gz FRZHOPVXLOAEHU-VXGBXAGGSA-N 2 0 250.411 2.667 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2cccs2)CC[NH2+]C1 ZINC000261976462 289164194 /nfs/dbraw/zinc/16/41/94/289164194.db2.gz ITWSXAROBYDDDO-TZMCWYRMSA-N 2 0 250.411 2.885 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000423113210 289459982 /nfs/dbraw/zinc/45/99/82/289459982.db2.gz KNQMUCINYMTNBZ-IJLUTSLNSA-N 2 0 264.360 2.644 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000356837031 289696227 /nfs/dbraw/zinc/69/62/27/289696227.db2.gz HMFJXIBZOMSZBO-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H](C)C1CCCCC1 ZINC000151840019 289832509 /nfs/dbraw/zinc/83/25/09/289832509.db2.gz NVHSJXALRPUECA-HZPDHXFCSA-N 2 0 296.499 2.885 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000125449386 289876925 /nfs/dbraw/zinc/87/69/25/289876925.db2.gz PNUXWFYLXVKORF-AWEZNQCLSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414081187 289879751 /nfs/dbraw/zinc/87/97/51/289879751.db2.gz DVHZWVHMGSFLGD-HUUCEWRRSA-N 2 0 282.472 2.900 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154400232 289893749 /nfs/dbraw/zinc/89/37/49/289893749.db2.gz VVGRBUGFEDQVQO-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154434147 289894947 /nfs/dbraw/zinc/89/49/47/289894947.db2.gz CFJCUYJVNUBAQM-KRWDZBQOSA-N 2 0 289.467 2.673 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000155740595 289924842 /nfs/dbraw/zinc/92/48/42/289924842.db2.gz YOPUIXMMARDHMV-IRXDYDNUSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403320899 290026805 /nfs/dbraw/zinc/02/68/05/290026805.db2.gz KUWQPMQIVNUERL-JQOWZUPLSA-N 2 0 250.430 2.741 20 0 CFADRP CC1(C)CC[NH+](CC(O)C[NH+]2CCC(C)(C)CC2)CC1 ZINC000447298316 290031707 /nfs/dbraw/zinc/03/17/07/290031707.db2.gz FWZJIXONTVOGET-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)COC2 ZINC000423280475 290043884 /nfs/dbraw/zinc/04/38/84/290043884.db2.gz SQRSTSCLCKRZAS-JDFRZJQESA-N 2 0 274.408 2.885 20 0 CFADRP CCc1cc(N)nc(SCCCCn2ccnc2C)n1 ZINC000562620434 290060396 /nfs/dbraw/zinc/06/03/96/290060396.db2.gz ZNCFIGSEBNNHMG-UHFFFAOYSA-N 2 0 291.424 2.529 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000366008274 290071242 /nfs/dbraw/zinc/07/12/42/290071242.db2.gz JTQYMNJRZVOCPA-HLLBOEOZSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000562746346 290073394 /nfs/dbraw/zinc/07/33/94/290073394.db2.gz YOTIKLMRYWKCSQ-INMHGKMJSA-N 2 0 273.424 2.915 20 0 CFADRP COc1cccc2c(N[C@@H](C)C[NH+](C)C)cc(C)nc12 ZINC000562869010 290079527 /nfs/dbraw/zinc/07/95/27/290079527.db2.gz DNXNOZKQKIGVPX-LBPRGKRZSA-N 2 0 273.380 2.914 20 0 CFADRP C[C@@H]1CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000562933562 290083129 /nfs/dbraw/zinc/08/31/29/290083129.db2.gz RKKIIOBALJXIDD-ZIAGYGMSSA-N 2 0 289.423 2.596 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000562956464 290086007 /nfs/dbraw/zinc/08/60/07/290086007.db2.gz WYDQDYGBVSWPKD-OAHLLOKOSA-N 2 0 278.371 2.629 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000563066618 290100327 /nfs/dbraw/zinc/10/03/27/290100327.db2.gz XSVDCBOSZLGGAM-ROUUACIJSA-N 2 0 293.499 2.667 20 0 CFADRP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000563136229 290107601 /nfs/dbraw/zinc/10/76/01/290107601.db2.gz NVWZPLUIPWCYSI-CQSZACIVSA-N 2 0 286.423 2.617 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)nc1 ZINC000563216312 290119016 /nfs/dbraw/zinc/11/90/16/290119016.db2.gz XESOGXPSXBULAA-HOCLYGCPSA-N 2 0 259.397 2.608 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1 ZINC000563358464 290137703 /nfs/dbraw/zinc/13/77/03/290137703.db2.gz XXRZEUJXTOFUAA-MSOLQXFVSA-N 2 0 290.451 2.916 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]C2(CCO)CCN(C)CC2)C[C@@H]1C ZINC000563415803 290145917 /nfs/dbraw/zinc/14/59/17/290145917.db2.gz FHINHZYNZNNECR-ULQDDVLXSA-N 2 0 296.499 2.884 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cc(N)ccc2O1 ZINC000563423207 290148657 /nfs/dbraw/zinc/14/86/57/290148657.db2.gz DYAYEWVJJQMFQQ-KYOSRNDESA-N 2 0 289.423 2.731 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC2Cc3ccccc3C2)C1 ZINC000563424894 290149232 /nfs/dbraw/zinc/14/92/32/290149232.db2.gz MYFSWYXTGJSXPS-IRXDYDNUSA-N 2 0 258.409 2.651 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000563425403 290149270 /nfs/dbraw/zinc/14/92/70/290149270.db2.gz PPIURPJFELPBFA-RBSFLKMASA-N 2 0 280.387 2.843 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)C1 ZINC000563426673 290149893 /nfs/dbraw/zinc/14/98/93/290149893.db2.gz VTGJMFQWABTGEI-HUUCEWRRSA-N 2 0 257.381 2.570 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000563429721 290150299 /nfs/dbraw/zinc/15/02/99/290150299.db2.gz VLRLGLCAURNGEY-CZUORRHYSA-N 2 0 262.397 2.563 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000563442434 290152536 /nfs/dbraw/zinc/15/25/36/290152536.db2.gz ITQCQJZVTSGVHX-ZACQAIPSSA-N 2 0 292.467 2.677 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000563519263 290157082 /nfs/dbraw/zinc/15/70/82/290157082.db2.gz FEMXNXQJCUSNNA-DGCLKSJQSA-N 2 0 254.324 2.841 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)C1 ZINC000563769968 290172957 /nfs/dbraw/zinc/17/29/57/290172957.db2.gz IPTKKLZLNIAQIV-UAGQMJEPSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cnc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000563807964 290175527 /nfs/dbraw/zinc/17/55/27/290175527.db2.gz SIBZYPBNVUIXQL-KRWDZBQOSA-N 2 0 287.451 2.659 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C12CCCCC2 ZINC000563804436 290175558 /nfs/dbraw/zinc/17/55/58/290175558.db2.gz GUTGWWUPKRPDMJ-JKSUJKDBSA-N 2 0 280.456 2.704 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)[C@@H]2CCC[C@H]21 ZINC000453243833 290216863 /nfs/dbraw/zinc/21/68/63/290216863.db2.gz ZUEZSADYROUNJS-RWMBFGLXSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000564722407 290226699 /nfs/dbraw/zinc/22/66/99/290226699.db2.gz LNJRABGZQPMSNV-STQMWFEESA-N 2 0 296.377 2.544 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000564822059 290236008 /nfs/dbraw/zinc/23/60/08/290236008.db2.gz BSBWRIHFAMZELT-CYBMUJFWSA-N 2 0 262.397 2.756 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1c(C)noc1C ZINC000565225587 290285012 /nfs/dbraw/zinc/28/50/12/290285012.db2.gz GBFWCKKEAIFWIT-UPJWGTAASA-N 2 0 251.374 2.602 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC000565227218 290285860 /nfs/dbraw/zinc/28/58/60/290285860.db2.gz WJODPAAGSIUXOT-GJZGRUSLSA-N 2 0 289.423 2.763 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000565434948 290301947 /nfs/dbraw/zinc/30/19/47/290301947.db2.gz XAURXHRQPLGWKL-LSDHHAIUSA-N 2 0 274.408 2.586 20 0 CFADRP CN(CCC[NH+](C)C)Cc1cnc(-c2ccncc2)s1 ZINC000565450868 290302249 /nfs/dbraw/zinc/30/22/49/290302249.db2.gz PEPTXDQDFCXMAW-UHFFFAOYSA-N 2 0 290.436 2.589 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000565534049 290307682 /nfs/dbraw/zinc/30/76/82/290307682.db2.gz ZPDIEKSXGCEZLU-OKZBNKHCSA-N 2 0 287.451 2.833 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000565594506 290311650 /nfs/dbraw/zinc/31/16/50/290311650.db2.gz WNODJVIWEUVJLG-QGZVFWFLSA-N 2 0 284.488 2.885 20 0 CFADRP Cc1nc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[nH]c1C ZINC000565670976 290317644 /nfs/dbraw/zinc/31/76/44/290317644.db2.gz MGOXASCKUQXJAA-OKILXGFUSA-N 2 0 292.471 2.874 20 0 CFADRP CCC(CC)(CC)C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000565894539 290332694 /nfs/dbraw/zinc/33/26/94/290332694.db2.gz KQDRBVIBYNEMHK-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)[C@H](C)O ZINC000565946567 290336412 /nfs/dbraw/zinc/33/64/12/290336412.db2.gz XHHWTDVEARVDEI-CVEARBPZSA-N 2 0 290.451 2.922 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)C(C)(C)C ZINC000566115960 290349336 /nfs/dbraw/zinc/34/93/36/290349336.db2.gz MIGCEYJPWFGPSJ-JKSUJKDBSA-N 2 0 284.488 2.884 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC1CCCC1)C(C)(C)C ZINC000566115959 290349402 /nfs/dbraw/zinc/34/94/02/290349402.db2.gz MIGCEYJPWFGPSJ-HZPDHXFCSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000566170747 290355974 /nfs/dbraw/zinc/35/59/74/290355974.db2.gz UCNMHOJTLLFLKI-LPHOPBHVSA-N 2 0 299.462 2.881 20 0 CFADRP CCOc1ccccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566230236 290360855 /nfs/dbraw/zinc/36/08/55/290360855.db2.gz UHXXOSMCKGXOBA-UHFFFAOYSA-N 2 0 270.376 2.834 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248739935 290388067 /nfs/dbraw/zinc/38/80/67/290388067.db2.gz PYLAKOOUPREYBA-VVLHAWIVSA-N 2 0 292.467 2.798 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000566481842 290393208 /nfs/dbraw/zinc/39/32/08/290393208.db2.gz QNCJETXLZPKHTG-ZJUUUORDSA-N 2 0 285.229 2.973 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000566481021 290392508 /nfs/dbraw/zinc/39/25/08/290392508.db2.gz DWWXPCSPDZRGSA-VYDXJSESSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000566481013 290392547 /nfs/dbraw/zinc/39/25/47/290392547.db2.gz DWWXPCSPDZRGSA-BFYDXBDKSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C1 ZINC000566481793 290393351 /nfs/dbraw/zinc/39/33/51/290393351.db2.gz KDLWEASCTLXENL-DYEKYZERSA-N 2 0 264.344 2.509 20 0 CFADRP [NH3+][C@H]1CCC[C@H](NCc2c(F)cccc2OC(F)F)C1 ZINC000566482379 290393468 /nfs/dbraw/zinc/39/34/68/290393468.db2.gz NGGIUXQPLVOUBE-UWVGGRQHSA-N 2 0 288.313 2.787 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422717155 290407142 /nfs/dbraw/zinc/40/71/42/290407142.db2.gz VPYUTVKHQNMMIB-LBDPXKHJSA-N 2 0 268.445 2.689 20 0 CFADRP COC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000567638840 290479395 /nfs/dbraw/zinc/47/93/95/290479395.db2.gz KWAWTCJRLSNNEE-OAHLLOKOSA-N 2 0 282.815 2.617 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642537 290480984 /nfs/dbraw/zinc/48/09/84/290480984.db2.gz SHUDPPVQMMCAMT-DOMZBBRYSA-N 2 0 283.847 2.660 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C1 ZINC000568295017 290546159 /nfs/dbraw/zinc/54/61/59/290546159.db2.gz MKXJWYGOUAWWMD-ZIAGYGMSSA-N 2 0 275.371 2.709 20 0 CFADRP CC(F)(F)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000568837933 290572421 /nfs/dbraw/zinc/57/24/21/290572421.db2.gz DJAGYVORAPSURM-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000569212028 290591388 /nfs/dbraw/zinc/59/13/88/290591388.db2.gz LIDGKHDIUSLCED-GOEBONIOSA-N 2 0 299.418 2.851 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421367309 293090040 /nfs/dbraw/zinc/09/00/40/293090040.db2.gz DPPYDSRFYRUQLY-SLTAFYQDSA-N 2 0 256.434 2.510 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000355069170 293090725 /nfs/dbraw/zinc/09/07/25/293090725.db2.gz RCHUFUPDSCQLKA-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C)sc1C ZINC000234801571 293096615 /nfs/dbraw/zinc/09/66/15/293096615.db2.gz ACIQFYBUYUEAGI-AAEUAGOBSA-N 2 0 270.442 2.769 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000300099460 293098332 /nfs/dbraw/zinc/09/83/32/293098332.db2.gz LRUZHMSZOFSFOK-KKUMJFAQSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000423468165 293154618 /nfs/dbraw/zinc/15/46/18/293154618.db2.gz JMJDGPUFCCTWCJ-GHJWDPDVSA-N 2 0 298.377 2.759 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CCC[NH2+]1 ZINC000423413903 293293478 /nfs/dbraw/zinc/29/34/78/293293478.db2.gz LMGUGOYNOLVJJP-GXTWGEPZSA-N 2 0 290.398 2.559 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCCC23CCCCC3)CCC[NH2+]1 ZINC000423416543 293295629 /nfs/dbraw/zinc/29/56/29/293295629.db2.gz QYAJMOWKBUKOHX-DOTOQJQBSA-N 2 0 280.456 2.848 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCCC[C@H]2C(C)C)CCC[NH2+]1 ZINC000423411586 293295876 /nfs/dbraw/zinc/29/58/76/293295876.db2.gz GAUKXGLFCDTLFZ-HRCADAONSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C1CCC([NH3+])CC1)CCC2 ZINC000335565096 293437823 /nfs/dbraw/zinc/43/78/23/293437823.db2.gz NLXHEFSEVNRVAI-GCZXYKMCSA-N 2 0 265.426 2.688 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423242069 293576624 /nfs/dbraw/zinc/57/66/24/293576624.db2.gz YGSILNGZSKWIGR-TWRYWWQQSA-N 2 0 262.397 2.622 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000369851228 294333917 /nfs/dbraw/zinc/33/39/17/294333917.db2.gz ITMBWAIIDQHJJL-HDEZJCGLSA-N 2 0 276.424 2.692 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000423542359 295224044 /nfs/dbraw/zinc/22/40/44/295224044.db2.gz GHKUWMARYUVNCF-MOKVOYLWSA-N 2 0 268.470 2.627 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(C)c1OC ZINC000423407398 295237988 /nfs/dbraw/zinc/23/79/88/295237988.db2.gz VSQOKJDLYSFJRK-OSAQELSMSA-N 2 0 292.423 2.661 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C)CC2)cc1 ZINC000420309911 295241039 /nfs/dbraw/zinc/24/10/39/295241039.db2.gz UJHZAIWVZAYVJI-GOEBONIOSA-N 2 0 276.424 2.860 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C(C)C)cc1 ZINC000423435216 295246119 /nfs/dbraw/zinc/24/61/19/295246119.db2.gz DMFUGIQHKSIKFU-LALPHHSUSA-N 2 0 250.386 2.718 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423122816 295255729 /nfs/dbraw/zinc/25/57/29/295255729.db2.gz DEJUHCHMPDCPPC-AGIUHOORSA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422830309 295255950 /nfs/dbraw/zinc/25/59/50/295255950.db2.gz CNCKKQAWWOYFIB-CWRNSKLLSA-N 2 0 276.449 2.734 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1C(F)(F)F ZINC000422741305 295270799 /nfs/dbraw/zinc/27/07/99/295270799.db2.gz PKQYWRDXFKCLGH-OCCSQVGLSA-N 2 0 286.341 2.965 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000423416939 295275464 /nfs/dbraw/zinc/27/54/64/295275464.db2.gz DSNPRLQLQDTTEX-SDADXPQNSA-N 2 0 250.430 2.920 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCC[NH3+])CCCO2 ZINC000423443873 295275773 /nfs/dbraw/zinc/27/57/73/295275773.db2.gz ARFHPMCLDAXDJR-IUODEOHRSA-N 2 0 278.396 2.626 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000414984208 295304878 /nfs/dbraw/zinc/30/48/78/295304878.db2.gz ABAYYMQKTYXVIH-TZMCWYRMSA-N 2 0 252.789 2.947 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261734910 295327636 /nfs/dbraw/zinc/32/76/36/295327636.db2.gz HTSBFYRGSSGVMO-IAGOWNOFSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422803882 295333134 /nfs/dbraw/zinc/33/31/34/295333134.db2.gz DIOSIGDFAPWXCS-JKSUJKDBSA-N 2 0 258.409 2.968 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423098369 295336796 /nfs/dbraw/zinc/33/67/96/295336796.db2.gz KRNQQSLDHRIZDF-HOTGVXAUSA-N 2 0 279.472 2.502 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000423039307 295357602 /nfs/dbraw/zinc/35/76/02/295357602.db2.gz QGIQCVYFFOULNO-GOEBONIOSA-N 2 0 288.435 2.834 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccco2)CC[NH+](C)CC1 ZINC000353633046 295582527 /nfs/dbraw/zinc/58/25/27/295582527.db2.gz VQNSWGIDSTZHKM-LBPRGKRZSA-N 2 0 268.426 2.758 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423410037 297110054 /nfs/dbraw/zinc/11/00/54/297110054.db2.gz ZOLVCIIUAKFXOA-KBRIMQKVSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000310104452 297191375 /nfs/dbraw/zinc/19/13/75/297191375.db2.gz MRFFGUHOKCKZBF-DGCLKSJQSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414810608 298378738 /nfs/dbraw/zinc/37/87/38/298378738.db2.gz VKAURDWNKORQBU-GMTAPVOTSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947023 298385390 /nfs/dbraw/zinc/38/53/90/298385390.db2.gz KHMLWIBUVRLKBJ-MXWKQRLJSA-N 2 0 252.324 2.838 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423037428 298392639 /nfs/dbraw/zinc/39/26/39/298392639.db2.gz BPXOMAFSVMEUNZ-BZUAXINKSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423425899 298392750 /nfs/dbraw/zinc/39/27/50/298392750.db2.gz HINZGHCUJZYCMT-QKPAOTATSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422805925 298398782 /nfs/dbraw/zinc/39/87/82/298398782.db2.gz MSFINWADIRNBQQ-CYBMUJFWSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000423044582 298877108 /nfs/dbraw/zinc/87/71/08/298877108.db2.gz BOIVOPATUZQPKY-XBVQOTNRSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000422933053 298964038 /nfs/dbraw/zinc/96/40/38/298964038.db2.gz BDRZGUVVUXDBAE-MJVIPROJSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000423290681 299004105 /nfs/dbraw/zinc/00/41/05/299004105.db2.gz FAWUMQPTDBGZOT-KKBVYLPWSA-N 2 0 288.435 3.000 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)n1 ZINC000334191749 302027157 /nfs/dbraw/zinc/02/71/57/302027157.db2.gz IPTSLYBTXXKGMG-JKSUJKDBSA-N 2 0 259.397 2.527 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1OC(F)F ZINC000415016514 533695491 /nfs/dbraw/zinc/69/54/91/533695491.db2.gz COSPPSCIVGUXQO-SNVBAGLBSA-N 2 0 288.338 2.514 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000178105935 302797605 /nfs/dbraw/zinc/79/76/05/302797605.db2.gz SZIRMTSSRVJBNH-OAHLLOKOSA-N 2 0 292.471 2.891 20 0 CFADRP FC(F)C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423539010 303122163 /nfs/dbraw/zinc/12/21/63/303122163.db2.gz HNYZYWUPNNUQCI-ALMXHQDSSA-N 2 0 272.383 2.788 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254711 303132552 /nfs/dbraw/zinc/13/25/52/303132552.db2.gz ZGQYSOVCTJTNHO-IUODEOHRSA-N 2 0 278.371 2.629 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000333336895 303362122 /nfs/dbraw/zinc/36/21/22/303362122.db2.gz XFOQMJYYIGGMRU-ZUEPYMLJSA-N 2 0 259.397 2.793 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000415040237 303411402 /nfs/dbraw/zinc/41/14/02/303411402.db2.gz OSQWCYIEISCDIV-WYUUTHIRSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422979301 303450336 /nfs/dbraw/zinc/45/03/36/303450336.db2.gz JBDBBNRTSGNMKQ-SJORKVTESA-N 2 0 258.409 2.651 20 0 CFADRP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297534013 304855248 /nfs/dbraw/zinc/85/52/48/304855248.db2.gz WCAJOTMCLOXFOS-FUHWJXTLSA-N 2 0 288.435 2.744 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000414828793 533702115 /nfs/dbraw/zinc/70/21/15/533702115.db2.gz MXCRTECAEXOVQZ-ZDUSSCGKSA-N 2 0 252.789 2.738 20 0 CFADRP CC(C)c1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1O ZINC001243245563 782092329 /nfs/dbraw/zinc/09/23/29/782092329.db2.gz GLKYWPUGBDWDHN-UHFFFAOYSA-N 2 0 297.402 2.987 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000161887205 322358472 /nfs/dbraw/zinc/35/84/72/322358472.db2.gz GSZZYRZXJJJPOW-OAHLLOKOSA-N 2 0 279.403 2.993 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000163257731 322374482 /nfs/dbraw/zinc/37/44/82/322374482.db2.gz SGPNBAMHJCRTAZ-STQMWFEESA-N 2 0 282.815 2.778 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000165529827 322385195 /nfs/dbraw/zinc/38/51/95/322385195.db2.gz IAWKBGHNGYNCGG-LXZKKBNFSA-N 2 0 294.414 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000169187838 322390166 /nfs/dbraw/zinc/39/01/66/322390166.db2.gz SFUNKPAPTNGKFO-OLZOCXBDSA-N 2 0 266.454 2.956 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000570720103 322547853 /nfs/dbraw/zinc/54/78/53/322547853.db2.gz ZGHSCCMKLKOEFB-QWHCGFSZSA-N 2 0 262.397 2.691 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1CCOCC1 ZINC000571265203 322576820 /nfs/dbraw/zinc/57/68/20/322576820.db2.gz UCFLAMYSLCGBRX-INIZCTEOSA-N 2 0 273.380 2.629 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]CC)C1(C)C ZINC000572111809 322607704 /nfs/dbraw/zinc/60/77/04/322607704.db2.gz UZDSHEJATCZGQJ-UONOGXRCSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CO ZINC000572234198 322611478 /nfs/dbraw/zinc/61/14/78/322611478.db2.gz ILDVEGNCVCTXNR-PBHICJAKSA-N 2 0 276.424 2.579 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000572900397 322636258 /nfs/dbraw/zinc/63/62/58/322636258.db2.gz CASVFMAQFKWXMS-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000573545454 322659933 /nfs/dbraw/zinc/65/99/33/322659933.db2.gz DTKOXTCMSGCZLM-HOCLYGCPSA-N 2 0 276.424 2.953 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000574028995 322677881 /nfs/dbraw/zinc/67/78/81/322677881.db2.gz LLGADNBVCWUDML-SJORKVTESA-N 2 0 290.451 2.737 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCCC1 ZINC000575151469 322720171 /nfs/dbraw/zinc/72/01/71/322720171.db2.gz JOEJSYMNPKAISX-HOTGVXAUSA-N 2 0 281.488 2.939 20 0 CFADRP c1cncc([C@H]([NH2+]CC2CC[NH2+]CC2)C2CCC2)c1 ZINC000575914147 322733851 /nfs/dbraw/zinc/73/38/51/322733851.db2.gz IDDUQUWJDIAALO-MRXNPFEDSA-N 2 0 259.397 2.512 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000177901601 323706275 /nfs/dbraw/zinc/70/62/75/323706275.db2.gz MUOANVAXWXQWMG-BBWFWOEESA-N 2 0 292.467 2.654 20 0 CFADRP COC[C@@H](C)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000187397470 323995083 /nfs/dbraw/zinc/99/50/83/323995083.db2.gz UXZZGKPOKMECMF-INIZCTEOSA-N 2 0 282.472 2.857 20 0 CFADRP COC[C@@H](C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000188081905 324007655 /nfs/dbraw/zinc/00/76/55/324007655.db2.gz XZZLUYZCQMSGAO-HOTGVXAUSA-N 2 0 278.440 2.769 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191523080 324050453 /nfs/dbraw/zinc/05/04/53/324050453.db2.gz XMVKDKVWQSUEKO-HSMVNMDESA-N 2 0 282.378 2.826 20 0 CFADRP C[N@H+]1C[C@H]2CN(Cc3ncc(-c4ccccc4)s3)C[C@H]2C1 ZINC000193646257 324075123 /nfs/dbraw/zinc/07/51/23/324075123.db2.gz PGYUMKYXPLFHSW-GASCZTMLSA-N 2 0 299.443 2.804 20 0 CFADRP CC(C)C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000211934744 324110045 /nfs/dbraw/zinc/11/00/45/324110045.db2.gz BEPAGEPDIMJHDJ-UHFFFAOYSA-N 2 0 258.409 2.953 20 0 CFADRP CCc1nc(C[NH2+]C(C)(C)CCC[NH+](C)C)cs1 ZINC000387354798 324491401 /nfs/dbraw/zinc/49/14/01/324491401.db2.gz SUNLVGBZFBANHL-UHFFFAOYSA-N 2 0 269.458 2.916 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000389056277 324512906 /nfs/dbraw/zinc/51/29/06/324512906.db2.gz JTMHCLJJNCTAHI-FPCVCCKLSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC000575970975 324561554 /nfs/dbraw/zinc/56/15/54/324561554.db2.gz TYIYFEMETCZCNI-JQWIXIFHSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578668382 324877570 /nfs/dbraw/zinc/87/75/70/324877570.db2.gz AHIGKPDOYLEICW-HOCLYGCPSA-N 2 0 279.472 2.643 20 0 CFADRP COCCC1(C[NH2+]C2CC([NH+](C)C)C2)CCCCC1 ZINC000579376129 324946374 /nfs/dbraw/zinc/94/63/74/324946374.db2.gz GRWVAIDCEZYEMD-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000579943238 324992503 /nfs/dbraw/zinc/99/25/03/324992503.db2.gz GZPMWJTWSBSBNN-HNNXBMFYSA-N 2 0 276.424 2.533 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000580062956 325003060 /nfs/dbraw/zinc/00/30/60/325003060.db2.gz GXMDEFOEYIROET-IOASZLSFSA-N 2 0 274.408 2.803 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CCCCC[C@H]3[NH3+])nc21 ZINC000580088666 325006001 /nfs/dbraw/zinc/00/60/01/325006001.db2.gz AOUVXIHCRFMVNP-KGLIPLIRSA-N 2 0 287.407 2.928 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccoc2)CC[NH+](C)CC1 ZINC000580135741 325009778 /nfs/dbraw/zinc/00/97/78/325009778.db2.gz PJONFTYBEUZHPJ-GFCCVEGCSA-N 2 0 268.426 2.758 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000580311957 325024888 /nfs/dbraw/zinc/02/48/88/325024888.db2.gz YSMXXACJSMAZOD-OWCLPIDISA-N 2 0 250.430 2.888 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(n2)CCC3)[C@H](C)C1 ZINC000580412105 325033044 /nfs/dbraw/zinc/03/30/44/325033044.db2.gz VDGLTVFMGRQZAV-RDTXWAMCSA-N 2 0 287.451 2.732 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580582837 325049142 /nfs/dbraw/zinc/04/91/42/325049142.db2.gz VWASZHPQPCLMRG-YALNPMBYSA-N 2 0 280.456 2.533 20 0 CFADRP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000581245731 325103709 /nfs/dbraw/zinc/10/37/09/325103709.db2.gz USWSHGLHNIAVOY-BRWVUGGUSA-N 2 0 298.434 2.616 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000581321812 325111531 /nfs/dbraw/zinc/11/15/31/325111531.db2.gz ZMBGVYWAQAWQGN-IAGOWNOFSA-N 2 0 288.435 2.594 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccncc2F)CC1 ZINC000581469078 325123549 /nfs/dbraw/zinc/12/35/49/325123549.db2.gz MIJOEFVMYBLWOV-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP Cc1cccc(CCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000581604471 325135722 /nfs/dbraw/zinc/13/57/22/325135722.db2.gz JJGVOCWNWWEUAA-KRWDZBQOSA-N 2 0 287.451 2.596 20 0 CFADRP [NH3+]C[C@@H]1CCCN(Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000581726689 325145920 /nfs/dbraw/zinc/14/59/20/325145920.db2.gz YVFULNOGEAIBOV-NSHDSACASA-N 2 0 288.313 2.598 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000581997121 325167131 /nfs/dbraw/zinc/16/71/31/325167131.db2.gz YDIRRKQAJUJZJJ-HUUCEWRRSA-N 2 0 290.455 2.698 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)C1 ZINC000582192097 325185217 /nfs/dbraw/zinc/18/52/17/325185217.db2.gz YDZQQQNGSOHIAI-LSDHHAIUSA-N 2 0 262.372 2.717 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000582311270 325195002 /nfs/dbraw/zinc/19/50/02/325195002.db2.gz HZZBGYLKYLEQTG-CVEARBPZSA-N 2 0 275.440 2.891 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(Cl)c1 ZINC000582546464 325213812 /nfs/dbraw/zinc/21/38/12/325213812.db2.gz SVALLDUFDPBILH-VHDGCEQUSA-N 2 0 278.827 2.985 20 0 CFADRP C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000582840588 325238030 /nfs/dbraw/zinc/23/80/30/325238030.db2.gz BWVMQEKSPCJYAI-ZDUSSCGKSA-N 2 0 296.842 2.522 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CO1 ZINC000582844686 325239087 /nfs/dbraw/zinc/23/90/87/325239087.db2.gz FMWCZESKAFLFOU-WBVHZDCISA-N 2 0 290.451 2.912 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000582856303 325240517 /nfs/dbraw/zinc/24/05/17/325240517.db2.gz NJMSHGJLOZNBEN-IRXDYDNUSA-N 2 0 298.434 2.849 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582857007 325240849 /nfs/dbraw/zinc/24/08/49/325240849.db2.gz WMUIUZJSVFORAF-KZNAEPCWSA-N 2 0 290.451 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000582869359 325241497 /nfs/dbraw/zinc/24/14/97/325241497.db2.gz XSGUYXJXPZRZHE-VDHUWJSZSA-N 2 0 288.435 2.837 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC000583070051 325257775 /nfs/dbraw/zinc/25/77/75/325257775.db2.gz TWBCNAAJLATDIC-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP Cc1cnccc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000583362393 325280663 /nfs/dbraw/zinc/28/06/63/325280663.db2.gz PMIXSJMRIODSCX-INIZCTEOSA-N 2 0 273.424 2.554 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000583369179 325281864 /nfs/dbraw/zinc/28/18/64/325281864.db2.gz BAGZJVYZEHRDHV-HAQNSBGRSA-N 2 0 279.453 2.875 20 0 CFADRP C(C[NH+]1CCC(C2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000583565406 325296782 /nfs/dbraw/zinc/29/67/82/325296782.db2.gz KYMKFBQOVHKJGI-UHFFFAOYSA-N 2 0 280.456 2.515 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCc2noc3ccccc32)[C@@H](C)C1 ZINC000583575012 325297862 /nfs/dbraw/zinc/29/78/62/325297862.db2.gz PUSNDDBDGUSASN-GXTWGEPZSA-N 2 0 273.380 2.648 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000583806381 325311426 /nfs/dbraw/zinc/31/14/26/325311426.db2.gz BARYSZSTSXPZJW-CABCVRRESA-N 2 0 299.418 2.876 20 0 CFADRP CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000583817233 325312391 /nfs/dbraw/zinc/31/23/91/325312391.db2.gz CZHJNBFDEITPND-LBPRGKRZSA-N 2 0 280.416 2.664 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OCC(F)F)cc1 ZINC000584002093 325324138 /nfs/dbraw/zinc/32/41/38/325324138.db2.gz LWDKJFAWKWUCHX-WCQYABFASA-N 2 0 284.350 2.642 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@@]1(C)C[NH3+] ZINC000584160140 325334562 /nfs/dbraw/zinc/33/45/62/325334562.db2.gz BTCICPXULMFOIZ-IAQYHMDHSA-N 2 0 290.436 2.555 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000584237758 325340340 /nfs/dbraw/zinc/34/03/40/325340340.db2.gz NBCGBSFYFCJGBG-GVDBMIGSSA-N 2 0 284.488 2.884 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156100147 518392867 /nfs/dbraw/zinc/39/28/67/518392867.db2.gz HTTXJGIAWNMLCM-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1ncnc2c1C[NH2+]C2 ZINC001243334888 782140967 /nfs/dbraw/zinc/14/09/67/782140967.db2.gz KZKQXYSYMGJSQJ-UHFFFAOYSA-N 2 0 282.391 2.589 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423179249 533752398 /nfs/dbraw/zinc/75/23/98/533752398.db2.gz JKTKGVBHKSDSQX-KQZOUJJXSA-N 2 0 288.435 2.906 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000414342452 533756837 /nfs/dbraw/zinc/75/68/37/533756837.db2.gz PPRUWYUEIQXXKK-KCMWZYNZSA-N 2 0 288.435 2.729 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000414910940 533762914 /nfs/dbraw/zinc/76/29/14/533762914.db2.gz VZJWYYABIDUKII-JFIYKMOQSA-N 2 0 293.499 2.761 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1C ZINC000415075117 533767240 /nfs/dbraw/zinc/76/72/40/533767240.db2.gz BBUCGVFZESIKIL-HOCLYGCPSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414872943 533769312 /nfs/dbraw/zinc/76/93/12/533769312.db2.gz GSPBMKKSRUXPOO-LURJTMIESA-N 2 0 297.649 2.848 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414871067 533769753 /nfs/dbraw/zinc/76/97/53/533769753.db2.gz CTBFRVJGDIYVGP-NSHDSACASA-N 2 0 282.815 2.813 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000423299381 533771835 /nfs/dbraw/zinc/77/18/35/533771835.db2.gz PZQBYGNHCXWBED-KBPBESRZSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422562941 533785387 /nfs/dbraw/zinc/78/53/87/533785387.db2.gz RCRTYAVVEUIFCR-AESZEHBQSA-N 2 0 282.472 2.744 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422752752 533792791 /nfs/dbraw/zinc/79/27/91/533792791.db2.gz FIEPGMOJJDORHE-VVLHAWIVSA-N 2 0 295.515 2.850 20 0 CFADRP C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423172237 533804828 /nfs/dbraw/zinc/80/48/28/533804828.db2.gz RXHYAARPPLBECB-WTIISPKJSA-N 2 0 260.372 2.931 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422922117 533813090 /nfs/dbraw/zinc/81/30/90/533813090.db2.gz SADVHBIAODSPLB-DVWPTYQGSA-N 2 0 286.419 2.812 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422850701 533836202 /nfs/dbraw/zinc/83/62/02/533836202.db2.gz DHLFEMPERBLBAV-QWRGUYRKSA-N 2 0 270.417 2.904 20 0 CFADRP C[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423104014 533838659 /nfs/dbraw/zinc/83/86/59/533838659.db2.gz BHCRARIVAXRFQT-WCQYABFASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423102882 533842720 /nfs/dbraw/zinc/84/27/20/533842720.db2.gz AGDBBTXLEWLKPZ-NYTXWWLZSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423121272 533845357 /nfs/dbraw/zinc/84/53/57/533845357.db2.gz ANCXRRMHBHJKOD-LLVKDONJSA-N 2 0 289.345 2.750 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422816541 533845459 /nfs/dbraw/zinc/84/54/59/533845459.db2.gz AQTMVNHOPITTRJ-CYBMUJFWSA-N 2 0 292.423 2.800 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422832214 533846810 /nfs/dbraw/zinc/84/68/10/533846810.db2.gz KTXRKKNRVIOFLZ-CVEARBPZSA-N 2 0 275.440 2.620 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000415020870 533851080 /nfs/dbraw/zinc/85/10/80/533851080.db2.gz XZAJWMYZEATRAD-KGLIPLIRSA-N 2 0 288.439 2.991 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423175502 533852053 /nfs/dbraw/zinc/85/20/53/533852053.db2.gz DSNSXYXRBIMSDA-HIFRSBDPSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423512554 533852515 /nfs/dbraw/zinc/85/25/15/533852515.db2.gz OORQQRBLACKTDS-GDBMZVCRSA-N 3 0 263.429 2.574 20 0 CFADRP C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422886381 533852980 /nfs/dbraw/zinc/85/29/80/533852980.db2.gz WPEPPCVXMOGVRI-ZNMIVQPWSA-N 2 0 290.455 2.513 20 0 CFADRP C[C@H](CCC[NH3+])N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423163403 533859148 /nfs/dbraw/zinc/85/91/48/533859148.db2.gz RBCGSLOYRMWLKS-OAHLLOKOSA-N 2 0 283.504 2.946 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414814122 533861993 /nfs/dbraw/zinc/86/19/93/533861993.db2.gz ZAJVFPGKJYERLM-BXUZGUMPSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422901118 533868561 /nfs/dbraw/zinc/86/85/61/533868561.db2.gz BPZJDSOCAMRTKY-GFCCVEGCSA-N 2 0 281.469 2.672 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[NH2+]1 ZINC000422832796 533868691 /nfs/dbraw/zinc/86/86/91/533868691.db2.gz FYVKVSLRYRZDIO-LRDDRELGSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2ccccc2n1 ZINC000423254431 533865996 /nfs/dbraw/zinc/86/59/96/533865996.db2.gz YBDBHVVPBLDTCT-UONOGXRCSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423250698 533866942 /nfs/dbraw/zinc/86/69/42/533866942.db2.gz QVYXCGYQLNXJEY-WDEREUQCSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943815 533868871 /nfs/dbraw/zinc/86/88/71/533868871.db2.gz LADPJKWCGPRPEA-GFCCVEGCSA-N 2 0 254.805 2.990 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842680 533874017 /nfs/dbraw/zinc/87/40/17/533874017.db2.gz YXBMGVKYXXXQDF-TZMCWYRMSA-N 2 0 281.831 2.636 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842679 533875603 /nfs/dbraw/zinc/87/56/03/533875603.db2.gz YXBMGVKYXXXQDF-OCCSQVGLSA-N 2 0 281.831 2.636 20 0 CFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OC(C)C ZINC000414905627 533875916 /nfs/dbraw/zinc/87/59/16/533875916.db2.gz LOXOSCRIASDMME-OAHLLOKOSA-N 2 0 292.423 2.714 20 0 CFADRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1SC ZINC000414897056 533884229 /nfs/dbraw/zinc/88/42/29/533884229.db2.gz DABMOIRPTYFRLN-MRXNPFEDSA-N 2 0 294.464 2.896 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC(C)C ZINC000414839566 533880823 /nfs/dbraw/zinc/88/08/23/533880823.db2.gz XUVIOYHQNMKIHY-OAHLLOKOSA-N 2 0 292.423 2.572 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1SC ZINC000414836974 533885040 /nfs/dbraw/zinc/88/50/40/533885040.db2.gz VFWOJKXLABKAJS-ZDUSSCGKSA-N 2 0 280.437 2.506 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1OC(C)C ZINC000414792491 533907103 /nfs/dbraw/zinc/90/71/03/533907103.db2.gz IZSVCYQCMYLJGG-CABCVRRESA-N 2 0 292.423 2.699 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422839321 533908455 /nfs/dbraw/zinc/90/84/55/533908455.db2.gz ZVXQOYDWPMLBDV-LZLYRXPVSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)C1C[NH2+]C1 ZINC000422946375 533916359 /nfs/dbraw/zinc/91/63/59/533916359.db2.gz WOSVXFTVFLZELQ-HNNXBMFYSA-N 2 0 296.414 2.963 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000414824625 533921381 /nfs/dbraw/zinc/92/13/81/533921381.db2.gz QZUHYXXEFXYXDE-YOEHRIQHSA-N 2 0 288.435 2.953 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414797957 533950772 /nfs/dbraw/zinc/95/07/72/533950772.db2.gz IRXHFOPVHCWKPI-HKFHSAMXSA-N 2 0 274.408 2.816 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000422713479 533987135 /nfs/dbraw/zinc/98/71/35/533987135.db2.gz PVRGXTNHKNJQFY-PQEBFOHHSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414841685 534001480 /nfs/dbraw/zinc/00/14/80/534001480.db2.gz YMZLIDQDADAVRH-CHWSQXEVSA-N 2 0 252.427 2.658 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414698975 534020023 /nfs/dbraw/zinc/02/00/23/534020023.db2.gz DPMMVSDQHGXFMZ-GJZGRUSLSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000422768742 534068590 /nfs/dbraw/zinc/06/85/90/534068590.db2.gz UWEVGJOAGRZKCX-FXUDXRNXSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422777372 534069194 /nfs/dbraw/zinc/06/91/94/534069194.db2.gz FKVGOWJAKZUTHG-DOMZBBRYSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423172877 534073041 /nfs/dbraw/zinc/07/30/41/534073041.db2.gz VURNXNZLFZRMQR-SHPPOPEUSA-N 2 0 262.372 2.659 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc12 ZINC000423166427 534078264 /nfs/dbraw/zinc/07/82/64/534078264.db2.gz CNRWASRVVWGPKN-ZDUSSCGKSA-N 2 0 254.377 2.846 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC[NH2+]1 ZINC000414699485 534079326 /nfs/dbraw/zinc/07/93/26/534079326.db2.gz UGPCORWFRGSSCB-YOEHRIQHSA-N 2 0 288.435 2.992 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000425342411 534117189 /nfs/dbraw/zinc/11/71/89/534117189.db2.gz HENUGJUFWDUZJJ-CABCVRRESA-N 2 0 282.428 2.871 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H](C)C1 ZINC000449738957 535768293 /nfs/dbraw/zinc/76/82/93/535768293.db2.gz HIZDHJUGFJYNSV-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422884222 534123592 /nfs/dbraw/zinc/12/35/92/534123592.db2.gz DOLJYNNKKLTZSO-INMHGKMJSA-N 2 0 260.425 2.965 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422738059 534131600 /nfs/dbraw/zinc/13/16/00/534131600.db2.gz JBHVZHTWBVXZMJ-LJIGWXMPSA-N 2 0 275.440 2.537 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415009054 534148931 /nfs/dbraw/zinc/14/89/31/534148931.db2.gz FHVDAMHFMHTBMQ-QJPTWQEYSA-N 2 0 297.830 2.691 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000414800847 534149174 /nfs/dbraw/zinc/14/91/74/534149174.db2.gz IYIMDVSHNIYXBL-NSHDSACASA-N 2 0 297.830 2.692 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1([NH3+])CCC1 ZINC000423332741 534163292 /nfs/dbraw/zinc/16/32/92/534163292.db2.gz PHXXGICFKFMTRE-GFCCVEGCSA-N 2 0 258.365 2.835 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423023075 534168751 /nfs/dbraw/zinc/16/87/51/534168751.db2.gz GSAZUUOEIJEBGG-HOCLYGCPSA-N 2 0 261.413 2.596 20 0 CFADRP C[C@]1(C[NH2+]C/C=C/c2ccc(F)cc2)CCC[NH2+]C1 ZINC000414909272 534175590 /nfs/dbraw/zinc/17/55/90/534175590.db2.gz RKGOIPXLRZAHKD-WPTTZPOMSA-N 2 0 262.372 2.818 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422778483 534200478 /nfs/dbraw/zinc/20/04/78/534200478.db2.gz APZUVDYOYUTBDP-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC1(C)C ZINC000423164135 534208760 /nfs/dbraw/zinc/20/87/60/534208760.db2.gz OBCPCXOMZVWZLT-JKSUJKDBSA-N 2 0 281.488 2.761 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@H](C)[NH3+])s2)o1 ZINC000414818768 534218004 /nfs/dbraw/zinc/21/80/04/534218004.db2.gz FVTLNPAEAIVODH-VIFPVBQESA-N 2 0 265.382 2.538 20 0 CFADRP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422880363 534218304 /nfs/dbraw/zinc/21/83/04/534218304.db2.gz WVBZULJBZGVMBA-ZJUUUORDSA-N 2 0 288.338 2.512 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414824993 534232599 /nfs/dbraw/zinc/23/25/99/534232599.db2.gz GLNVUYHHLNFUDC-AEZOWIDVSA-N 2 0 262.372 2.629 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422801611 534255714 /nfs/dbraw/zinc/25/57/14/534255714.db2.gz CDUUMKGWGIIDBI-ACJTYDJDSA-N 2 0 250.411 2.552 20 0 CFADRP C[C@@]1(C[NH2+]Cc2coc3ccccc23)CCC[NH2+]C1 ZINC000414899195 534267743 /nfs/dbraw/zinc/26/77/43/534267743.db2.gz HCNJNQFBBSXATL-MRXNPFEDSA-N 2 0 258.365 2.912 20 0 CFADRP Brc1csc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000168756159 518236845 /nfs/dbraw/zinc/23/68/45/518236845.db2.gz GWYKYJDCLCZKOV-JTQLQIEISA-N 2 0 289.242 2.742 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000423215598 534338395 /nfs/dbraw/zinc/33/83/95/534338395.db2.gz NEUVBFITWQRCTQ-GRYCIOLGSA-N 2 0 296.436 2.573 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000423108793 534349326 /nfs/dbraw/zinc/34/93/26/534349326.db2.gz MQRMUQNYRATNCE-SECBINFHSA-N 2 0 287.329 2.842 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000422785705 534350272 /nfs/dbraw/zinc/35/02/72/534350272.db2.gz NYGIBLQWJYABSN-GFCCVEGCSA-N 2 0 287.382 2.881 20 0 CFADRP C1=CO[C@@H](C[NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000194298899 518576320 /nfs/dbraw/zinc/57/63/20/518576320.db2.gz SIVBSCROUBKHRY-QGZVFWFLSA-N 2 0 278.440 2.923 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC1CCCC1 ZINC000423094389 534389212 /nfs/dbraw/zinc/38/92/12/534389212.db2.gz BPIQCRMNIVUZIP-WNRNVDISSA-N 2 0 294.483 2.686 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423134542 534389800 /nfs/dbraw/zinc/38/98/00/534389800.db2.gz MLTWONSESWKOMW-BSDSXHPESA-N 2 0 294.483 2.686 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000339389217 519373835 /nfs/dbraw/zinc/37/38/35/519373835.db2.gz DSGIGFZWJOXVML-LBPRGKRZSA-N 2 0 280.416 2.567 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414204058 534428512 /nfs/dbraw/zinc/42/85/12/534428512.db2.gz ZTQQIFURFASADQ-LSDHHAIUSA-N 2 0 261.413 2.773 20 0 CFADRP Fc1cc(-c2ccncc2)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414834256 534437946 /nfs/dbraw/zinc/43/79/46/534437946.db2.gz QNCWXPJKDAOECF-AWEZNQCLSA-N 2 0 299.393 2.977 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000221925549 519617658 /nfs/dbraw/zinc/61/76/58/519617658.db2.gz XXQXAFFAGTVNMN-CYBMUJFWSA-N 2 0 256.434 2.652 20 0 CFADRP CC(C)[NH+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000157234237 519648591 /nfs/dbraw/zinc/64/85/91/519648591.db2.gz HEKOLAHGQNPKMO-SJORKVTESA-N 2 0 275.440 2.840 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 ZINC000221931871 519672770 /nfs/dbraw/zinc/67/27/70/519672770.db2.gz WBEBIZMPDWJDCD-SNVBAGLBSA-N 2 0 252.324 2.790 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414841375 534444281 /nfs/dbraw/zinc/44/42/81/534444281.db2.gz NTTYQGHTEUSCDR-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000414825679 534440167 /nfs/dbraw/zinc/44/01/67/534440167.db2.gz HMAVYNNPYUGNCU-NSHDSACASA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)CSCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366542485 519767822 /nfs/dbraw/zinc/76/78/22/519767822.db2.gz CZLUBLRBBQYYBS-HNNXBMFYSA-N 2 0 270.486 2.793 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000361239792 519776963 /nfs/dbraw/zinc/77/69/63/519776963.db2.gz YEWMKYOGQFKRGS-BZUAXINKSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC000070359145 519827359 /nfs/dbraw/zinc/82/73/59/519827359.db2.gz VWTWXWIDXGIRFK-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH3+])CCCO2 ZINC000062660237 519840557 /nfs/dbraw/zinc/84/05/57/519840557.db2.gz MLZYJSFBFBKDCG-HNNXBMFYSA-N 2 0 262.397 2.962 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CCCOC)CC1 ZINC000178732037 519843354 /nfs/dbraw/zinc/84/33/54/519843354.db2.gz QGRZAWKTDATJCO-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000156949598 519861471 /nfs/dbraw/zinc/86/14/71/519861471.db2.gz KKUGSMOUMWWWNW-CHWSQXEVSA-N 2 0 281.469 2.881 20 0 CFADRP Fc1ccc(C(F)(F)F)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414841547 534462085 /nfs/dbraw/zinc/46/20/85/534462085.db2.gz YETYBMDLPJQASR-SNVBAGLBSA-N 2 0 290.304 2.934 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414855655 534465784 /nfs/dbraw/zinc/46/57/84/534465784.db2.gz XBRBDMWZMNZHCF-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccsc2)C1 ZINC000360975846 520255752 /nfs/dbraw/zinc/25/57/52/520255752.db2.gz RUENIPQTGRNOGT-OAHLLOKOSA-N 2 0 266.454 2.954 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2cccnc2)cc1 ZINC000423341920 534492972 /nfs/dbraw/zinc/49/29/72/534492972.db2.gz KOYHASQFMRTXDW-SFHVURJKSA-N 2 0 297.377 2.819 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423238737 534494946 /nfs/dbraw/zinc/49/49/46/534494946.db2.gz AUGNGGIYVAXSLZ-MLGOLLRUSA-N 2 0 262.372 2.866 20 0 CFADRP CCO[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000192922923 520511588 /nfs/dbraw/zinc/51/15/88/520511588.db2.gz MBPJEBKPAFWCJD-WTXIUTQJSA-N 2 0 268.445 2.652 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256937 534498023 /nfs/dbraw/zinc/49/80/23/534498023.db2.gz GTBHGKSODFBLEJ-LRDDRELGSA-N 2 0 262.372 2.792 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000261644570 520586702 /nfs/dbraw/zinc/58/67/02/520586702.db2.gz GURFKJRYMXSPOA-UHFFFAOYSA-N 2 0 275.440 2.823 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000365193293 520604800 /nfs/dbraw/zinc/60/48/00/520604800.db2.gz UUUNEWNUZQJJOQ-IRXDYDNUSA-N 2 0 282.472 2.857 20 0 CFADRP c1cncc(-c2cccc(CNC[C@@H]3CCC[NH2+]3)c2)c1 ZINC000414844211 534505077 /nfs/dbraw/zinc/50/50/77/534505077.db2.gz KOXSTEAHZFEGAC-KRWDZBQOSA-N 2 0 267.376 2.590 20 0 CFADRP c1cnc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c1 ZINC000414816965 534505797 /nfs/dbraw/zinc/50/57/97/534505797.db2.gz RDVMNOUOOSUKJY-XYPWUTKMSA-N 2 0 267.376 2.607 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220929158 520628483 /nfs/dbraw/zinc/62/84/83/520628483.db2.gz KJJVBSWDUCRTOK-HOTGVXAUSA-N 2 0 296.455 2.526 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000310831103 520630905 /nfs/dbraw/zinc/63/09/05/520630905.db2.gz GPGGKIHXXLQMFG-CHWSQXEVSA-N 2 0 252.406 2.571 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(OC)nc1 ZINC000158024906 520637639 /nfs/dbraw/zinc/63/76/39/520637639.db2.gz WWIPQBDKHBSPCA-AWEZNQCLSA-N 2 0 279.428 2.690 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](COC)C1CC1 ZINC000361924309 520722715 /nfs/dbraw/zinc/72/27/15/520722715.db2.gz MKFUXKUQUMEUKP-ULQDDVLXSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305156280 520806609 /nfs/dbraw/zinc/80/66/09/520806609.db2.gz VVFMPNRNVJPXSD-MRXNPFEDSA-N 2 0 268.445 2.534 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414838815 534521273 /nfs/dbraw/zinc/52/12/73/534521273.db2.gz VRXBVEDQQOUION-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000236733090 521064511 /nfs/dbraw/zinc/06/45/11/521064511.db2.gz PWXMKTALBFGZFW-HUUCEWRRSA-N 2 0 297.487 2.521 20 0 CFADRP Cc1cnc(C(C)(C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414716037 534537664 /nfs/dbraw/zinc/53/76/64/534537664.db2.gz XSGNPBORKGBBHC-ZYHUDNBSSA-N 2 0 267.442 2.664 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000311015616 521260112 /nfs/dbraw/zinc/26/01/12/521260112.db2.gz KSIGFHDDDQHMKW-OLZOCXBDSA-N 2 0 250.386 2.863 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000227375585 521376600 /nfs/dbraw/zinc/37/66/00/521376600.db2.gz KDSXIAFGSZPVMX-ZFWWWQNUSA-N 2 0 262.397 2.658 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245944198 521548611 /nfs/dbraw/zinc/54/86/11/521548611.db2.gz VLCQUXGIRUCOPY-GVDBMIGSSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1occc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000414404237 534570066 /nfs/dbraw/zinc/57/00/66/534570066.db2.gz HTZJYVUXYJYCJB-UHFFFAOYSA-N 2 0 292.423 2.665 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192465953 521605228 /nfs/dbraw/zinc/60/52/28/521605228.db2.gz YFDPFYNGEOMFMB-BHYGNILZSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000155557361 521691643 /nfs/dbraw/zinc/69/16/43/521691643.db2.gz QHJAASVHLLKGKN-ZFWWWQNUSA-N 2 0 295.496 2.733 20 0 CFADRP CC[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000360595270 521695882 /nfs/dbraw/zinc/69/58/82/521695882.db2.gz KCFBTSGGCISNKE-UHFFFAOYSA-N 2 0 269.392 2.994 20 0 CFADRP CCSCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309867862 521708654 /nfs/dbraw/zinc/70/86/54/521708654.db2.gz FXJXWIRPNRHDDF-INIZCTEOSA-N 2 0 278.465 2.851 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000360414164 521711683 /nfs/dbraw/zinc/71/16/83/521711683.db2.gz OLBNHOLUEPWDTJ-YOEHRIQHSA-N 2 0 258.409 2.914 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246403853 521713024 /nfs/dbraw/zinc/71/30/24/521713024.db2.gz ARCYYMKLQWAWRL-WMLDXEAASA-N 2 0 288.435 2.784 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000360987678 521717684 /nfs/dbraw/zinc/71/76/84/521717684.db2.gz SINWTMICQLGDGU-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC000361581150 521756677 /nfs/dbraw/zinc/75/66/77/521756677.db2.gz FVRVMVGDACNDRJ-UHFFFAOYSA-N 2 0 295.515 2.820 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000228722470 521885128 /nfs/dbraw/zinc/88/51/28/521885128.db2.gz OIBWWHGARDJIQR-HLLBOEOZSA-N 2 0 284.488 2.884 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000414185946 534600119 /nfs/dbraw/zinc/60/01/19/534600119.db2.gz OUZGRJUCDMATQS-AAEUAGOBSA-N 2 0 267.442 2.834 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414913052 534605410 /nfs/dbraw/zinc/60/54/10/534605410.db2.gz VRABKCAGFSKKTH-UHFFFAOYSA-N 2 0 282.815 2.957 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414908690 534605509 /nfs/dbraw/zinc/60/55/09/534605509.db2.gz QRPYUYKHGXCKJH-UHFFFAOYSA-N 2 0 255.365 2.577 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000414915714 534605530 /nfs/dbraw/zinc/60/55/30/534605530.db2.gz ZNIUVNKRNDGXFT-UHFFFAOYSA-N 2 0 293.155 2.556 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000414914072 534606048 /nfs/dbraw/zinc/60/60/48/534606048.db2.gz WTPKJXPCDMRGQB-UHFFFAOYSA-N 2 0 261.394 2.639 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414915348 534606069 /nfs/dbraw/zinc/60/60/69/534606069.db2.gz ZEUSTNJTGPFPHN-UHFFFAOYSA-N 2 0 262.328 2.914 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000423324629 534606439 /nfs/dbraw/zinc/60/64/39/534606439.db2.gz KSWCNXJJHVHFSG-MRXNPFEDSA-N 2 0 273.355 2.639 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000423196531 534615937 /nfs/dbraw/zinc/61/59/37/534615937.db2.gz VLQQUYBJQBSLKM-TZMCWYRMSA-N 2 0 252.789 2.915 20 0 CFADRP COC[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309780838 522251335 /nfs/dbraw/zinc/25/13/35/522251335.db2.gz DZLQNTXRUVOWTA-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000234720099 522288378 /nfs/dbraw/zinc/28/83/78/522288378.db2.gz SCALZUCMXIJINS-GOEBONIOSA-N 2 0 264.413 2.524 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000234741483 522289568 /nfs/dbraw/zinc/28/95/68/522289568.db2.gz UBTCKPAULNEFSS-GOEBONIOSA-N 2 0 294.439 2.878 20 0 CFADRP Clc1cc2cccnc2c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414827457 534632382 /nfs/dbraw/zinc/63/23/82/534632382.db2.gz GZJZUDPRSLCBCL-GFCCVEGCSA-N 2 0 289.810 2.977 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C)cc1 ZINC000151797900 522576874 /nfs/dbraw/zinc/57/68/74/522576874.db2.gz UIYBRCIUJWPBRL-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(CC(C)C)CCCC1 ZINC000234779608 522667793 /nfs/dbraw/zinc/66/77/93/522667793.db2.gz DEUDTNJKPROUGE-HNNXBMFYSA-N 2 0 270.461 2.936 20 0 CFADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1cccs1 ZINC000234027671 522706048 /nfs/dbraw/zinc/70/60/48/522706048.db2.gz XOGZLZJMBRPUOF-RYUDHWBXSA-N 2 0 256.415 2.543 20 0 CFADRP COC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C1CC1 ZINC000155849177 522737066 /nfs/dbraw/zinc/73/70/66/522737066.db2.gz YEZQGGLJCVLXIT-HNNXBMFYSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(C)cc1 ZINC000234033755 522745717 /nfs/dbraw/zinc/74/57/17/522745717.db2.gz DEVOAAICWIQHGR-CVEARBPZSA-N 2 0 264.413 2.790 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CCCSC1)Cc1ccccc1 ZINC000061571083 522770972 /nfs/dbraw/zinc/77/09/72/522770972.db2.gz RUGCADHMLXOXEV-INIZCTEOSA-N 2 0 278.465 2.994 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000182407890 522778556 /nfs/dbraw/zinc/77/85/56/522778556.db2.gz GSTWPJSTRQJBGQ-SFHVURJKSA-N 2 0 290.451 2.867 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(Cl)c1 ZINC000231786878 522835957 /nfs/dbraw/zinc/83/59/57/522835957.db2.gz VDGXQEUQTPDCHS-OAHLLOKOSA-N 2 0 284.831 2.959 20 0 CFADRP CN(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246366346 522840453 /nfs/dbraw/zinc/84/04/53/522840453.db2.gz QMTPYFIJMHPHFS-KRWDZBQOSA-N 2 0 287.451 2.541 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1OC ZINC000049553888 522938978 /nfs/dbraw/zinc/93/89/78/522938978.db2.gz HTBHUWSDBPGBII-KBPBESRZSA-N 2 0 294.439 2.832 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422760015 534685038 /nfs/dbraw/zinc/68/50/38/534685038.db2.gz PUJZJLXBMRHBAB-XYPWUTKMSA-N 2 0 298.434 2.607 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)CCCC[NH3+] ZINC000422757817 534684031 /nfs/dbraw/zinc/68/40/31/534684031.db2.gz MZITXDRWDRBDIU-CQSZACIVSA-N 2 0 288.439 2.842 20 0 CFADRP COCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158845777 523295163 /nfs/dbraw/zinc/29/51/63/523295163.db2.gz BFBUQYJLRDEUOV-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+](Cc1cccc(O)c1Cl)CC1CC[NH+](C)CC1 ZINC000328495066 523314229 /nfs/dbraw/zinc/31/42/29/523314229.db2.gz UGECVMXXCAZQEH-UHFFFAOYSA-N 2 0 282.815 2.819 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC([NH2+]C(C)C)CC2)CCO1 ZINC000356988294 523400697 /nfs/dbraw/zinc/40/06/97/523400697.db2.gz KTRDLURHUZAZKB-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP CN1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C[C@@H]1c1ccccc1 ZINC000340314388 523747871 /nfs/dbraw/zinc/74/78/71/523747871.db2.gz ANYYXKBPWHDYGV-RTBURBONSA-N 2 0 299.462 2.673 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361897649 523765470 /nfs/dbraw/zinc/76/54/70/523765470.db2.gz UZISDTGEIZLEBS-GVDBMIGSSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000234335564 523793535 /nfs/dbraw/zinc/79/35/35/523793535.db2.gz MWEGEWRTVVDTJK-XDNAFOTISA-N 2 0 294.483 2.876 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C2CCCCC2)CC1 ZINC000361679183 523796885 /nfs/dbraw/zinc/79/68/85/523796885.db2.gz UTYVQMTZLQHKKE-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192354744 523821766 /nfs/dbraw/zinc/82/17/66/523821766.db2.gz CKCUPFWWWIWQAV-CZUORRHYSA-N 2 0 274.408 2.844 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccc2)C1 ZINC000363459527 523824652 /nfs/dbraw/zinc/82/46/52/523824652.db2.gz NRBJNGJUJKPHAH-WBVHZDCISA-N 2 0 274.408 2.624 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000360963953 524047139 /nfs/dbraw/zinc/04/71/39/524047139.db2.gz JKFOULJAZYOGAP-BZUAXINKSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000361968078 524098755 /nfs/dbraw/zinc/09/87/55/524098755.db2.gz DNSPYSGAQCUELY-SJLPKXTDSA-N 2 0 294.483 2.999 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000049553661 524137955 /nfs/dbraw/zinc/13/79/55/524137955.db2.gz IIBASNLCFCWXRC-UONOGXRCSA-N 2 0 294.439 2.565 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000311562015 524177574 /nfs/dbraw/zinc/17/75/74/524177574.db2.gz SFBUPYLMEPMIND-XLNGHYISSA-N 2 0 258.409 2.849 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cn1 ZINC000339405456 524315752 /nfs/dbraw/zinc/31/57/52/524315752.db2.gz ACAMCBPRBQSNFW-MRXNPFEDSA-N 2 0 263.429 2.628 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054242036 524332686 /nfs/dbraw/zinc/33/26/86/524332686.db2.gz UGYCQFXULXYTDT-LBPRGKRZSA-N 2 0 280.387 2.827 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000155457178 524336000 /nfs/dbraw/zinc/33/60/00/524336000.db2.gz LUXLFPQJJYABQX-NVXWUHKLSA-N 2 0 260.425 2.918 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCn1cnc2ccccc21 ZINC000312735140 524454288 /nfs/dbraw/zinc/45/42/88/524454288.db2.gz TYBVZFUBBUSQMU-AWEZNQCLSA-N 2 0 274.412 2.534 20 0 CFADRP Cc1cc(C)cc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000151786999 524461923 /nfs/dbraw/zinc/46/19/23/524461923.db2.gz MMRYITPEDHXHLI-MRXNPFEDSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000222911859 524477285 /nfs/dbraw/zinc/47/72/85/524477285.db2.gz NOUZSOWWCYMMOJ-STQMWFEESA-N 2 0 252.377 2.687 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1cccc(F)c1 ZINC000192906649 524482411 /nfs/dbraw/zinc/48/24/11/524482411.db2.gz BXJZSDXZBYDYPM-OHRKKDJYSA-N 2 0 292.398 2.808 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000361719209 524497587 /nfs/dbraw/zinc/49/75/87/524497587.db2.gz BWPBAQCQTKHPPJ-GZBFAFLISA-N 2 0 280.387 2.523 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360973286 524498060 /nfs/dbraw/zinc/49/80/60/524498060.db2.gz BIEBVTSALBWKFW-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000193982750 524506310 /nfs/dbraw/zinc/50/63/10/524506310.db2.gz RNDWFRQCPZAYBJ-WCXIOVBPSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000158584136 524548190 /nfs/dbraw/zinc/54/81/90/524548190.db2.gz QFFLPCVINHKJLK-HOTGVXAUSA-N 2 0 278.444 2.516 20 0 CFADRP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000050559337 524659246 /nfs/dbraw/zinc/65/92/46/524659246.db2.gz YANCJOZYDOZMSQ-YIONKMFJSA-N 2 0 262.372 2.849 20 0 CFADRP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C1 ZINC000374169140 524709990 /nfs/dbraw/zinc/70/99/90/524709990.db2.gz DJKDGPCOOWUCNH-OWSLCNJRSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccccc1 ZINC000192996976 524735565 /nfs/dbraw/zinc/73/55/65/524735565.db2.gz BIXZLRQQBJNRKL-HNSVSWJLSA-N 2 0 274.408 2.669 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Oc1ccc(F)cc1 ZINC000192908447 524736901 /nfs/dbraw/zinc/73/69/01/524736901.db2.gz AITBHUCFLCYGDB-WWTUQBGBSA-N 2 0 292.398 2.808 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1O ZINC000226864624 524770787 /nfs/dbraw/zinc/77/07/87/524770787.db2.gz CRWSELGFNUDKEB-DZGCQCFKSA-N 2 0 262.397 2.581 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(C)s1 ZINC000334845611 524771055 /nfs/dbraw/zinc/77/10/55/524771055.db2.gz YKERYRQGQQKLMZ-CYBMUJFWSA-N 2 0 252.427 2.843 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262029392 524807801 /nfs/dbraw/zinc/80/78/01/524807801.db2.gz NWQULMPHRBRIOI-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000334864569 524809064 /nfs/dbraw/zinc/80/90/64/524809064.db2.gz QJXVOPDNNGBXKO-GWCFXTLKSA-N 2 0 283.213 2.679 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000339412610 524826605 /nfs/dbraw/zinc/82/66/05/524826605.db2.gz QGVOTCOPIHWNOA-HNNXBMFYSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000157068685 524849779 /nfs/dbraw/zinc/84/97/79/524849779.db2.gz MAVDNMOFGRGYBR-LBPRGKRZSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000335032017 524864251 /nfs/dbraw/zinc/86/42/51/524864251.db2.gz VKQBOIKGGGHBCL-LBPRGKRZSA-N 2 0 295.386 2.604 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)c21 ZINC000361113976 524921748 /nfs/dbraw/zinc/92/17/48/524921748.db2.gz POJBUAKEHIRFSA-ZBFHGGJFSA-N 2 0 285.435 2.949 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1C ZINC000156331648 524922961 /nfs/dbraw/zinc/92/29/61/524922961.db2.gz SXUXEYOHMJRQFS-XJKSGUPXSA-N 2 0 284.407 2.649 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)CC[NH2+]1 ZINC000334861324 524926758 /nfs/dbraw/zinc/92/67/58/524926758.db2.gz AUCPUQAXTZWTFB-GXFFZTMASA-N 2 0 283.213 2.679 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000246276516 524939251 /nfs/dbraw/zinc/93/92/51/524939251.db2.gz RRNMFSSDKFNECE-SOLBZPMBSA-N 2 0 292.467 2.916 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000168632902 525011165 /nfs/dbraw/zinc/01/11/65/525011165.db2.gz RVWQVYOHXAIKGV-RHSMWYFYSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000366673709 525267333 /nfs/dbraw/zinc/26/73/33/525267333.db2.gz YDZUJVDAKMHWNV-VYDXJSESSA-N 2 0 280.456 2.941 20 0 CFADRP CSC1(C[NH2+]C2CC[NH+](CC(C)C)CC2)CCC1 ZINC000228013175 525331619 /nfs/dbraw/zinc/33/16/19/525331619.db2.gz AZDSZRACJZJINM-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccncc2F)CC[NH+](C)CC1 ZINC000340393135 525336128 /nfs/dbraw/zinc/33/61/28/525336128.db2.gz FICJHPJRFSVCPM-LBPRGKRZSA-N 2 0 297.443 2.699 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCOC1 ZINC000157916750 525336512 /nfs/dbraw/zinc/33/65/12/525336512.db2.gz PTCGRTCFPSPGEO-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1C ZINC000156331503 525442243 /nfs/dbraw/zinc/44/22/43/525442243.db2.gz SXUXEYOHMJRQFS-CZUORRHYSA-N 2 0 284.407 2.649 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1C ZINC000151828492 525724043 /nfs/dbraw/zinc/72/40/43/525724043.db2.gz KUESRKDBYBNNJG-MRXNPFEDSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@H](O)C[C@H](C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305155766 525806306 /nfs/dbraw/zinc/80/63/06/525806306.db2.gz VRWSQEBPVAGISA-GJZGRUSLSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336604940 525845414 /nfs/dbraw/zinc/84/54/14/525845414.db2.gz HESPUDPBHHQYDP-AWEZNQCLSA-N 2 0 264.438 2.878 20 0 CFADRP CS[C@H]1CCCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000162582804 525902552 /nfs/dbraw/zinc/90/25/52/525902552.db2.gz SOOJDQOKHXPLRC-KGLIPLIRSA-N 2 0 256.459 2.688 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000334859554 526166973 /nfs/dbraw/zinc/16/69/73/526166973.db2.gz ZSOIOUGOHLGIAH-RISCZKNCSA-N 2 0 297.240 2.845 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)ccc2n1 ZINC000228689239 526230209 /nfs/dbraw/zinc/23/02/09/526230209.db2.gz KMXRHCBGPHOCRM-HIFRSBDPSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)ccc2n1 ZINC000334841524 526232762 /nfs/dbraw/zinc/23/27/62/526232762.db2.gz OGCGPVUGIZGZGL-LRDDRELGSA-N 2 0 269.392 2.631 20 0 CFADRP Cc1c[nH+]ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000192758048 526242098 /nfs/dbraw/zinc/24/20/98/526242098.db2.gz IPILJZSNOPQOHB-QGZVFWFLSA-N 2 0 297.402 2.569 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423133336 526274239 /nfs/dbraw/zinc/27/42/39/526274239.db2.gz CWBJVNGSPUMKGS-IAGOWNOFSA-N 2 0 258.409 2.979 20 0 CFADRP FCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309953555 526284363 /nfs/dbraw/zinc/28/43/63/526284363.db2.gz HMGPJBVYQCRIJZ-DLBZAZTESA-N 2 0 276.399 2.800 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336297633 526379545 /nfs/dbraw/zinc/37/95/45/526379545.db2.gz MWUFEYGJPFNGSP-UHFFFAOYSA-N 2 0 297.402 2.516 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000192920779 526470234 /nfs/dbraw/zinc/47/02/34/526470234.db2.gz CAUJWRAOCXDQHX-MRXNPFEDSA-N 2 0 290.476 2.994 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000340691566 526485193 /nfs/dbraw/zinc/48/51/93/526485193.db2.gz QPIPHRLOXMEOSV-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000050599558 526491995 /nfs/dbraw/zinc/49/19/95/526491995.db2.gz CGRDFXICUNIXAI-QGZVFWFLSA-N 2 0 258.409 2.866 20 0 CFADRP c1ccc2c(c1)CC([NH2+]C1CC([NH+]3CCCCC3)C1)C2 ZINC000334775400 526501780 /nfs/dbraw/zinc/50/17/80/526501780.db2.gz ZIGJCRBIBGUOTG-UHFFFAOYSA-N 2 0 270.420 2.760 20 0 CFADRP c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)oc1-c1ccccc1 ZINC000319297445 526598414 /nfs/dbraw/zinc/59/84/14/526598414.db2.gz VVKSWNRKMLTPTR-IYBDPMFKSA-N 2 0 297.402 2.773 20 0 CFADRP Brc1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423299075 526643674 /nfs/dbraw/zinc/64/36/74/526643674.db2.gz BELOOSVOMAHXFK-CQSZACIVSA-N 2 0 295.224 2.709 20 0 CFADRP Brc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423299074 526644112 /nfs/dbraw/zinc/64/41/12/526644112.db2.gz BELOOSVOMAHXFK-AWEZNQCLSA-N 2 0 295.224 2.709 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423174530 526661817 /nfs/dbraw/zinc/66/18/17/526661817.db2.gz CKCIRBKZBRISMK-NNXHMXCWSA-N 2 0 294.483 2.948 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000054309195 526752760 /nfs/dbraw/zinc/75/27/60/526752760.db2.gz RFBZEGJLFQHASQ-GWCFXTLKSA-N 2 0 267.442 2.800 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000414911473 526821705 /nfs/dbraw/zinc/82/17/05/526821705.db2.gz UCMVOMIMUJYDAY-UHFFFAOYSA-N 2 0 281.469 2.920 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422741491 526831669 /nfs/dbraw/zinc/83/16/69/526831669.db2.gz ONLNCCNNXHIRGA-NEPJUHHUSA-N 2 0 281.469 2.700 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000150283198 527167332 /nfs/dbraw/zinc/16/73/32/527167332.db2.gz IJLQNJVODWBGLF-UHFFFAOYSA-N 2 0 254.324 2.795 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000164460344 527177365 /nfs/dbraw/zinc/17/73/65/527177365.db2.gz XPDIZFUWTLHLKB-UHFFFAOYSA-N 2 0 252.745 2.915 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccnc1 ZINC000414342072 527180225 /nfs/dbraw/zinc/18/02/25/527180225.db2.gz WWOLKMPOZHKCEB-JKSUJKDBSA-N 2 0 273.424 2.576 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408956 527192494 /nfs/dbraw/zinc/19/24/94/527192494.db2.gz VRFRETRZCBGHOV-INIZCTEOSA-N 2 0 288.435 2.615 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339408959 527194742 /nfs/dbraw/zinc/19/47/42/527194742.db2.gz VRFRETRZCBGHOV-MRXNPFEDSA-N 2 0 288.435 2.615 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089147951 527213260 /nfs/dbraw/zinc/21/32/60/527213260.db2.gz YSSBSQPQZIXLGG-HOTGVXAUSA-N 2 0 271.408 2.748 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000084220592 527235001 /nfs/dbraw/zinc/23/50/01/527235001.db2.gz AZOAHKYIMSORCV-MFKMUULPSA-N 2 0 283.213 2.666 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414803118 527256242 /nfs/dbraw/zinc/25/62/42/527256242.db2.gz LKHMNBNVBXPXSH-UONOGXRCSA-N 2 0 250.361 2.789 20 0 CFADRP Cc1[nH+]ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000310565261 527351744 /nfs/dbraw/zinc/35/17/44/527351744.db2.gz XHDPIDWHHMGARZ-MWLCHTKSSA-N 2 0 253.777 2.938 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000334846138 527358158 /nfs/dbraw/zinc/35/81/58/527358158.db2.gz MICOVFNRFYYION-ZJUUUORDSA-N 2 0 289.242 2.870 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834645 527488628 /nfs/dbraw/zinc/48/86/28/527488628.db2.gz GFNNTFQBIKJCGH-HNNXBMFYSA-N 2 0 293.480 2.802 20 0 CFADRP Nc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000334971431 527517543 /nfs/dbraw/zinc/51/75/43/527517543.db2.gz WGSSNLHCHZIEHO-YJBOKZPZSA-N 2 0 285.435 2.718 20 0 CFADRP OCCC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000364855067 527531884 /nfs/dbraw/zinc/53/18/84/527531884.db2.gz VPWZDDYLQOIUPJ-UHFFFAOYSA-N 2 0 294.483 2.783 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000305211975 527669648 /nfs/dbraw/zinc/66/96/48/527669648.db2.gz PSPJBNSEEVLGLA-CGTJXYLNSA-N 2 0 292.467 2.700 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422839461 527725826 /nfs/dbraw/zinc/72/58/26/527725826.db2.gz QCRSIMGXQJQLGX-AEFFLSMTSA-N 3 0 295.515 2.865 20 0 CFADRP CCO[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000423088715 527735937 /nfs/dbraw/zinc/73/59/37/527735937.db2.gz QUQDWMULQDFVLO-HOCLYGCPSA-N 2 0 264.413 2.871 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000423184198 527867360 /nfs/dbraw/zinc/86/73/60/527867360.db2.gz LWDUNVZNNNGFNM-CVEARBPZSA-N 2 0 274.408 2.574 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@H](C)C1 ZINC000414337018 527879721 /nfs/dbraw/zinc/87/97/21/527879721.db2.gz PPPPRKRTCIXSNZ-ZBFHGGJFSA-N 2 0 275.440 2.679 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CCO1 ZINC000414804457 527883980 /nfs/dbraw/zinc/88/39/80/527883980.db2.gz FBRJHBRGGZSRJZ-IAOVAPTHSA-N 2 0 276.424 3.000 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C1(CC)CC ZINC000422835843 527935052 /nfs/dbraw/zinc/93/50/52/527935052.db2.gz JFQZZSYAQSQWTR-PFSRBDOWSA-N 2 0 268.445 2.830 20 0 CFADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000450266771 536523456 /nfs/dbraw/zinc/52/34/56/536523456.db2.gz TYIUJQLQQBLAKM-SFHVURJKSA-N 2 0 290.451 2.518 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)C1(C)C ZINC000423294368 527943571 /nfs/dbraw/zinc/94/35/71/527943571.db2.gz UHWYTHOYLVANDJ-UHOFOFEASA-N 2 0 276.424 3.000 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1(CC)CC ZINC000422833432 527950659 /nfs/dbraw/zinc/95/06/59/527950659.db2.gz GWCTYONSEQZXFV-APIJFGDWSA-N 2 0 268.445 2.687 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421834230 528037718 /nfs/dbraw/zinc/03/77/18/528037718.db2.gz ORBWVGYOIGEHDK-QWHCGFSZSA-N 2 0 299.846 2.742 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422712764 528058367 /nfs/dbraw/zinc/05/83/67/528058367.db2.gz OQLMOZBRIGLDKF-HZPDHXFCSA-N 2 0 269.477 2.748 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422942492 528123697 /nfs/dbraw/zinc/12/36/97/528123697.db2.gz KMGMNDXFOSAEIH-UONOGXRCSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423335977 528141253 /nfs/dbraw/zinc/14/12/53/528141253.db2.gz SIJPGWBIYCIYID-GJZGRUSLSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)COc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000414781729 528151807 /nfs/dbraw/zinc/15/18/07/528151807.db2.gz WNNMZYFFOBSFNY-UHFFFAOYSA-N 2 0 262.397 2.643 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415036048 528164159 /nfs/dbraw/zinc/16/41/59/528164159.db2.gz LDXYEAPEZAFPIO-GJZGRUSLSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)COc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414826241 528172034 /nfs/dbraw/zinc/17/20/34/528172034.db2.gz FFVYZMWCVPZDSU-OAHLLOKOSA-N 2 0 276.424 2.811 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422688029 528195430 /nfs/dbraw/zinc/19/54/30/528195430.db2.gz CJCUILTYXBOCTN-HNNXBMFYSA-N 3 0 277.456 2.745 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423107078 528236176 /nfs/dbraw/zinc/23/61/76/528236176.db2.gz KLSCZOWAXIXUFS-BBWFWOEESA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422707813 528255272 /nfs/dbraw/zinc/25/52/72/528255272.db2.gz BBZSHPWASCNDLX-DZGCQCFKSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414855137 528255892 /nfs/dbraw/zinc/25/58/92/528255892.db2.gz VRGPGZRRPRQIMC-HNNXBMFYSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967681 528281133 /nfs/dbraw/zinc/28/11/33/528281133.db2.gz CGBVAXFSIRDUQB-ARFHVFGLSA-N 2 0 293.455 2.783 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1OC ZINC000422738479 528281140 /nfs/dbraw/zinc/28/11/40/528281140.db2.gz YZDPBMCXUOAZFB-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccsc1 ZINC000422855142 528281823 /nfs/dbraw/zinc/28/18/23/528281823.db2.gz DOGMUTRFQXZIDY-SOUVJXGZSA-N 2 0 281.469 2.600 20 0 CFADRP CCN(CC)c1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414814591 528318582 /nfs/dbraw/zinc/31/85/82/528318582.db2.gz ZIWBMTYZKKBGPQ-TZMCWYRMSA-N 2 0 296.484 2.596 20 0 CFADRP CC(C)SCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423111658 528320410 /nfs/dbraw/zinc/32/04/10/528320410.db2.gz RAAOGAOMCQLVBY-DZGCQCFKSA-N 2 0 266.454 2.676 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](OC)C2CC2)CC1 ZINC000425403273 528337945 /nfs/dbraw/zinc/33/79/45/528337945.db2.gz IJBSCOCUMBFSHY-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000414821752 528458649 /nfs/dbraw/zinc/45/86/49/528458649.db2.gz LSGQEVRGPBCQGC-GXTWGEPZSA-N 2 0 280.387 2.702 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414857642 528459026 /nfs/dbraw/zinc/45/90/26/528459026.db2.gz PWKJBZQAJLGRLB-DZGCQCFKSA-N 2 0 262.397 2.563 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000423103531 528462185 /nfs/dbraw/zinc/46/21/85/528462185.db2.gz LBOBSMJSXHBHFC-GXTWGEPZSA-N 2 0 282.815 2.956 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422903667 528462761 /nfs/dbraw/zinc/46/27/61/528462761.db2.gz OTWHWNAANNHOJJ-CZUORRHYSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834117 528463109 /nfs/dbraw/zinc/46/31/09/528463109.db2.gz NIBMQGNPDDHLKM-IMJJTQAJSA-N 2 0 261.413 2.551 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1Cl ZINC000423103839 528464263 /nfs/dbraw/zinc/46/42/63/528464263.db2.gz LMFWUTVVTOCKGT-GHMZBOCLSA-N 2 0 270.804 2.954 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414796546 528465591 /nfs/dbraw/zinc/46/55/91/528465591.db2.gz HTCXHUNTTADDTR-HOCLYGCPSA-N 2 0 262.397 2.692 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423458624 528488104 /nfs/dbraw/zinc/48/81/04/528488104.db2.gz QHVPHQWIHKYEQC-DOTOQJQBSA-N 2 0 278.440 2.945 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422804589 528498492 /nfs/dbraw/zinc/49/84/92/528498492.db2.gz HPISGXCVPGVTQP-YLFCFFPRSA-N 2 0 282.472 2.541 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414872764 528513673 /nfs/dbraw/zinc/51/36/73/528513673.db2.gz QCMLKPCRDGBHEL-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414874916 528513983 /nfs/dbraw/zinc/51/39/83/528513983.db2.gz TVAARLFRDIAPPT-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414757527 528526934 /nfs/dbraw/zinc/52/69/34/528526934.db2.gz SSJBIICQJFWJQI-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414790742 528531450 /nfs/dbraw/zinc/53/14/50/528531450.db2.gz GSGXXGCOSQRSRO-FZMZJTMJSA-N 2 0 297.830 2.630 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423285002 528534421 /nfs/dbraw/zinc/53/44/21/528534421.db2.gz YRCLVKKILKECFX-DOMZBBRYSA-N 2 0 260.381 2.937 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423281640 528536427 /nfs/dbraw/zinc/53/64/27/528536427.db2.gz VGWLTPQILUGRSJ-JKSUJKDBSA-N 2 0 266.404 2.966 20 0 CFADRP CC[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414696564 528591702 /nfs/dbraw/zinc/59/17/02/528591702.db2.gz GMWBSPSRJLZUSV-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1OCC ZINC000423328580 528595070 /nfs/dbraw/zinc/59/50/70/528595070.db2.gz KXCGTQVAVXHZMV-CYBMUJFWSA-N 2 0 280.412 2.874 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1 ZINC000423276695 528595337 /nfs/dbraw/zinc/59/53/37/528595337.db2.gz OTRQHEDDSQKEGV-QWHCGFSZSA-N 2 0 250.386 2.591 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422939269 528596724 /nfs/dbraw/zinc/59/67/24/528596724.db2.gz LSJCXLUHBALSNM-UKRRQHHQSA-N 2 0 292.423 2.887 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCCCC2)n1 ZINC000414849991 528597782 /nfs/dbraw/zinc/59/77/82/528597782.db2.gz YPNVRRVSVSXMSR-AWEZNQCLSA-N 2 0 278.444 2.646 20 0 CFADRP CCC(CC)(CC)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414779959 528621795 /nfs/dbraw/zinc/62/17/95/528621795.db2.gz KZHJBMDPNXRZKR-OAHLLOKOSA-N 2 0 282.472 2.890 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCCC1 ZINC000422892584 528636226 /nfs/dbraw/zinc/63/62/26/528636226.db2.gz YTMQKFYRBHUXNX-HZPDHXFCSA-N 2 0 282.472 2.951 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423265208 528636744 /nfs/dbraw/zinc/63/67/44/528636744.db2.gz ZPNZCVNQDBOULE-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000423245494 528637432 /nfs/dbraw/zinc/63/74/32/528637432.db2.gz JBSJGDLNNYPDKG-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423265210 528642106 /nfs/dbraw/zinc/64/21/06/528642106.db2.gz ZPNZCVNQDBOULE-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422904035 528669542 /nfs/dbraw/zinc/66/95/42/528669542.db2.gz WTBFMKQBSDSUIB-AWEZNQCLSA-N 2 0 276.424 2.606 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414921809 528671139 /nfs/dbraw/zinc/67/11/39/528671139.db2.gz FZFPOPPCJDBIRY-NWDGAFQWSA-N 2 0 267.442 2.701 20 0 CFADRP CCCCOc1ccccc1C[NH2+]CCCC[NH3+] ZINC000414914489 528702015 /nfs/dbraw/zinc/70/20/15/528702015.db2.gz XIMBESYBUBAMHX-UHFFFAOYSA-N 2 0 250.386 2.694 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000414802854 528779631 /nfs/dbraw/zinc/77/96/31/528779631.db2.gz NFVFJFWHHUEIRG-QXSJWSMHSA-N 2 0 268.445 2.545 20 0 CFADRP CCC(CC)[C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422821625 528856064 /nfs/dbraw/zinc/85/60/64/528856064.db2.gz XNQFFJFXQZJNAA-LZWOXQAQSA-N 2 0 269.477 2.602 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422818552 528856700 /nfs/dbraw/zinc/85/67/00/528856700.db2.gz KQBUZLOAMNAMRO-SQNIBIBYSA-N 2 0 295.515 2.994 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000414806577 528953080 /nfs/dbraw/zinc/95/30/80/528953080.db2.gz HSOYZKOZKLAWQU-CYBMUJFWSA-N 2 0 294.439 2.829 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423290978 528953518 /nfs/dbraw/zinc/95/35/18/528953518.db2.gz GECYPSGRKPDLHX-CQSZACIVSA-N 2 0 263.429 2.900 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423287593 528954465 /nfs/dbraw/zinc/95/44/65/528954465.db2.gz NFXQRYGHJUNAKB-QWHCGFSZSA-N 2 0 256.434 2.686 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000427869069 528978560 /nfs/dbraw/zinc/97/85/60/528978560.db2.gz RTGRGGOZUDTWOK-GJZGRUSLSA-N 2 0 294.439 2.703 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422913950 529003956 /nfs/dbraw/zinc/00/39/56/529003956.db2.gz ZNZWNHKDSFFPRN-VSZNYVQBSA-N 2 0 293.499 2.761 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000427370475 529008515 /nfs/dbraw/zinc/00/85/15/529008515.db2.gz RZSVEBNBQZEAOQ-AWEZNQCLSA-N 2 0 269.392 2.943 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000423299950 529011573 /nfs/dbraw/zinc/01/15/73/529011573.db2.gz QOOUAVGIFGOCKR-IUODEOHRSA-N 2 0 250.386 2.721 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCCC[NH3+])c1cccnc1 ZINC000422837375 529014071 /nfs/dbraw/zinc/01/40/71/529014071.db2.gz UCSKFSAEBGHIFP-HOCLYGCPSA-N 2 0 263.429 2.928 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCC(C)CC1 ZINC000422852933 529015717 /nfs/dbraw/zinc/01/57/17/529015717.db2.gz YHSNUNNVOGEAGL-SJORKVTESA-N 2 0 283.504 2.850 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC(C)(C)[NH3+] ZINC000423288612 529027335 /nfs/dbraw/zinc/02/73/35/529027335.db2.gz TYMUYYBLIAZJPM-HNNXBMFYSA-N 2 0 264.413 2.555 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214567 529028478 /nfs/dbraw/zinc/02/84/78/529028478.db2.gz PDLDTCGHRPWTFY-MSOLQXFVSA-N 2 0 290.451 2.817 20 0 CFADRP CCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422833675 529042717 /nfs/dbraw/zinc/04/27/17/529042717.db2.gz MQMDRSUGHIOYBQ-SJPCQFCGSA-N 2 0 274.408 2.596 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422835616 529042783 /nfs/dbraw/zinc/04/27/83/529042783.db2.gz PRNUMSHMSXJJGY-DLBZAZTESA-N 2 0 276.424 2.973 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422765189 529125431 /nfs/dbraw/zinc/12/54/31/529125431.db2.gz KPYNHAOFZWXYAH-GUYCJALGSA-N 2 0 292.423 2.872 20 0 CFADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423298768 529158978 /nfs/dbraw/zinc/15/89/78/529158978.db2.gz AHLQQULFLZKEPJ-CYBMUJFWSA-N 2 0 270.323 2.548 20 0 CFADRP CC[C@@H]([NH2+]CCCC(C)(C)COC)[C@@H]1CCC[NH2+]1 ZINC000423133683 529160636 /nfs/dbraw/zinc/16/06/36/529160636.db2.gz VVLUNJDKLOVQIW-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423296287 529177261 /nfs/dbraw/zinc/17/72/61/529177261.db2.gz GLHGBCFXUBVCBB-ZWNOBZJWSA-N 2 0 272.339 2.924 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OC)c(OC)c1 ZINC000423102377 529199442 /nfs/dbraw/zinc/19/94/42/529199442.db2.gz KCEHCXKCHWKDIL-GXTWGEPZSA-N 2 0 280.412 2.872 20 0 CFADRP CC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422909780 529210671 /nfs/dbraw/zinc/21/06/71/529210671.db2.gz GUHOBAPFOCJNFT-SJORKVTESA-N 2 0 291.439 2.570 20 0 CFADRP CC[C@H]1CCC[C@@H](C[NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414977086 529221694 /nfs/dbraw/zinc/22/16/94/529221694.db2.gz QIVBOFBKQCBIPH-JKSUJKDBSA-N 2 0 282.472 2.809 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])OC ZINC000423159390 529248637 /nfs/dbraw/zinc/24/86/37/529248637.db2.gz PAAPONAWPUCMPK-DIECFANBSA-N 2 0 278.440 2.596 20 0 CFADRP CCSc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000414776723 529249808 /nfs/dbraw/zinc/24/98/08/529249808.db2.gz NYGLTMNGQRVCRE-UHFFFAOYSA-N 2 0 250.411 2.720 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422727335 529274058 /nfs/dbraw/zinc/27/40/58/529274058.db2.gz HFAZENOIONRUJA-OWCLPIDISA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Oc1ccccc1F ZINC000422821554 529368529 /nfs/dbraw/zinc/36/85/29/529368529.db2.gz WZVNAMAXVCLOBP-FRRDWIJNSA-N 2 0 268.376 2.699 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1cccc(C)c1 ZINC000422918883 529369222 /nfs/dbraw/zinc/36/92/22/529369222.db2.gz IQPCLJDESABXDL-FVQBIDKESA-N 2 0 262.397 2.622 20 0 CFADRP CC[C@](C)([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000414714783 529371388 /nfs/dbraw/zinc/37/13/88/529371388.db2.gz VRFAAHMTOUYVES-DYEKYZERSA-N 2 0 267.442 2.746 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000459637971 534925918 /nfs/dbraw/zinc/92/59/18/534925918.db2.gz SOUVFADZDPIQLT-GASCZTMLSA-N 2 0 268.445 2.795 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)C2CCCC2)C1 ZINC000446742577 534956957 /nfs/dbraw/zinc/95/69/57/534956957.db2.gz GKZROSBMDSEQMR-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](CO)CCC(C)(C)C)CC1 ZINC000355674931 535162240 /nfs/dbraw/zinc/16/22/40/535162240.db2.gz DLJIDFIAIMRYLY-OAHLLOKOSA-N 2 0 270.461 2.636 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)CCC)CC1 ZINC000450268098 535215729 /nfs/dbraw/zinc/21/57/29/535215729.db2.gz FJWZKBKTCPUZHO-INIZCTEOSA-N 2 0 270.461 2.591 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446887214 535263745 /nfs/dbraw/zinc/26/37/45/535263745.db2.gz PMZSBQSOALEEJI-NVXWUHKLSA-N 2 0 280.456 2.654 20 0 CFADRP CCOc1cccc(C[NH2+]C(C)(C)CCC[NH+](C)C)n1 ZINC000449528242 535456353 /nfs/dbraw/zinc/45/63/53/535456353.db2.gz OADVMDITCGSKOA-UHFFFAOYSA-N 2 0 279.428 2.690 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@H]1CCCSC1 ZINC000433184435 535507248 /nfs/dbraw/zinc/50/72/48/535507248.db2.gz YVXMFSIXOPPVCR-HNNXBMFYSA-N 2 0 288.501 2.562 20 0 CFADRP CC[C@@H](C)C[C@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881382 535536515 /nfs/dbraw/zinc/53/65/15/535536515.db2.gz ZHJZEHLYBZECKE-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000445400672 535549942 /nfs/dbraw/zinc/54/99/42/535549942.db2.gz GPDKAJBKFGMVMM-HZPDHXFCSA-N 2 0 270.461 2.854 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453084089 535697871 /nfs/dbraw/zinc/69/78/71/535697871.db2.gz NEXCXFJXMJNSOH-SFHVURJKSA-N 2 0 293.499 2.572 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435379698 535784889 /nfs/dbraw/zinc/78/48/89/535784889.db2.gz KCYLBUOMIKZPMA-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1ccsc1 ZINC000453054409 535804430 /nfs/dbraw/zinc/80/44/30/535804430.db2.gz BUCLPHIOIWMCSV-GDBMZVCRSA-N 2 0 295.496 2.815 20 0 CFADRP CCc1cc(N2CCC(C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000450253086 536144412 /nfs/dbraw/zinc/14/44/12/536144412.db2.gz MFMAOXZCOGJNMP-UHFFFAOYSA-N 2 0 273.424 2.956 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000459743180 536384886 /nfs/dbraw/zinc/38/48/86/536384886.db2.gz WUHGSZVOQJCOST-OAHLLOKOSA-N 2 0 298.434 2.898 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712293 536390509 /nfs/dbraw/zinc/39/05/09/536390509.db2.gz YSSZAKYTUWQUSC-RYUDHWBXSA-N 2 0 264.335 2.745 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000435375613 536519046 /nfs/dbraw/zinc/51/90/46/536519046.db2.gz VTUKCAZWRGWOGO-KCQAQPDRSA-N 2 0 294.414 2.682 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000666082849 545578225 /nfs/dbraw/zinc/57/82/25/545578225.db2.gz JINATONPUGBYBM-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000738436281 574052072 /nfs/dbraw/zinc/05/20/72/574052072.db2.gz PKWQXVKTEFBPIY-HNNXBMFYSA-N 2 0 276.424 2.533 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000155179544 574072233 /nfs/dbraw/zinc/07/22/33/574072233.db2.gz VTRPAKUBOGYJCO-IVMMDQJWSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]([NH2+]CCCCCCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754463167 574096816 /nfs/dbraw/zinc/09/68/16/574096816.db2.gz FNSQEOZQNNSTQM-HOTGVXAUSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+](C)CCCNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000731675313 574125742 /nfs/dbraw/zinc/12/57/42/574125742.db2.gz PFYZQBRRZJKVIK-UHFFFAOYSA-N 2 0 276.424 2.832 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000756116709 574210739 /nfs/dbraw/zinc/21/07/39/574210739.db2.gz NVNFCAOOSNNJMP-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CO[C@@](C)(C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396443094 574292293 /nfs/dbraw/zinc/29/22/93/574292293.db2.gz BCPLZMUDDZFADZ-QAPCUYQASA-N 2 0 290.451 2.868 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000742374783 574325662 /nfs/dbraw/zinc/32/56/62/574325662.db2.gz GVCAOSRVHJEZSK-ZBFHGGJFSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1noc(C)c1[C@@H](C)NCc1ccc(-n2ccnc2)nc1 ZINC000753371573 574401720 /nfs/dbraw/zinc/40/17/20/574401720.db2.gz MPPCVGLHJWLNQO-LLVKDONJSA-N 2 0 297.362 2.723 20 0 CFADRP CCC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000753704686 574408295 /nfs/dbraw/zinc/40/82/95/574408295.db2.gz MELPZAICECOIJX-UHFFFAOYSA-N 2 0 280.456 2.944 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CCC(=O)C(C)(C)C)C1 ZINC000753733402 574409004 /nfs/dbraw/zinc/40/90/04/574409004.db2.gz PXZVUJJLUBHEDM-AWEZNQCLSA-N 2 0 268.445 2.655 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000306099114 617798458 /nfs/dbraw/zinc/79/84/58/617798458.db2.gz OFYVGBRSCACLDA-SNVBAGLBSA-N 2 0 254.349 2.612 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000051693458 618049062 /nfs/dbraw/zinc/04/90/62/618049062.db2.gz DDCCCXKJNPIKSW-KVULBXGLSA-N 2 0 274.408 2.932 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000104085918 617606357 /nfs/dbraw/zinc/60/63/57/617606357.db2.gz LEZORYGQMGZRCJ-UHFFFAOYSA-N 2 0 276.424 2.647 20 0 CFADRP Cc1cnc(Cl)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000891612280 617685453 /nfs/dbraw/zinc/68/54/53/617685453.db2.gz UAAFAFPIOUIRBJ-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP CCn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)n1 ZINC000891611964 617685460 /nfs/dbraw/zinc/68/54/60/617685460.db2.gz ZVRDIBJVGKPPBR-UHFFFAOYSA-N 2 0 290.455 2.519 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000891611712 617685640 /nfs/dbraw/zinc/68/56/40/617685640.db2.gz VAAZQPDUUCLSAV-UHFFFAOYSA-N 2 0 278.396 2.596 20 0 CFADRP C[C@H]1Cc2cc(C[NH+]3CCC(C[NH+](C)C)CC3)ccc2O1 ZINC000891611881 617685736 /nfs/dbraw/zinc/68/57/36/617685736.db2.gz DVPCJVCXIZSYOR-AWEZNQCLSA-N 2 0 288.435 2.784 20 0 CFADRP c1c2ccccc2[nH]c1C[NH2+]CCC[NH+]1CCCC1 ZINC000124289257 617696840 /nfs/dbraw/zinc/69/68/40/617696840.db2.gz FFFBOFNUNFHXJL-UHFFFAOYSA-N 2 0 257.381 2.743 20 0 CFADRP COc1ccc2[nH+]ccc(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000891662652 617700200 /nfs/dbraw/zinc/70/02/00/617700200.db2.gz QIVUGJZRMUYPCU-UHFFFAOYSA-N 2 0 297.402 2.704 20 0 CFADRP C[C@H]1Cc2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2O1 ZINC000891670493 617702156 /nfs/dbraw/zinc/70/21/56/617702156.db2.gz JVYJIIINKHVNTO-GOEBONIOSA-N 2 0 288.435 2.784 20 0 CFADRP Cc1cc(N)nc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC000891754421 617740229 /nfs/dbraw/zinc/74/02/29/617740229.db2.gz MWBKPGKNMGAQMR-UHFFFAOYSA-N 2 0 297.406 2.575 20 0 CFADRP Cc1cccc(CCC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000933737230 617765529 /nfs/dbraw/zinc/76/55/29/617765529.db2.gz NNDOWXHGAHTTDS-MSOLQXFVSA-N 2 0 272.436 2.811 20 0 CFADRP CC(C)[NH+]1CCC(N(C)C[C@H](O)c2cccc(F)c2)CC1 ZINC000079815841 617786267 /nfs/dbraw/zinc/78/62/67/617786267.db2.gz MIXIBFLJCABXIV-KRWDZBQOSA-N 2 0 294.414 2.664 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(OC3CCCC3)CC2)CC1 ZINC000891863304 617791113 /nfs/dbraw/zinc/79/11/13/617791113.db2.gz BOYCJJGRRSTWEL-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1cc(CN2CC[C@H](C[NH+](C)C)C2)c2c(n1)CCCC2 ZINC000892035171 617920896 /nfs/dbraw/zinc/92/08/96/617920896.db2.gz ZWPQTHUQMYSNKW-OAHLLOKOSA-N 2 0 287.451 2.652 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000892098712 617948259 /nfs/dbraw/zinc/94/82/59/617948259.db2.gz MOXOQKQUTAJUDF-CGZBRXJRSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC(C[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000892106851 617955198 /nfs/dbraw/zinc/95/51/98/617955198.db2.gz YLVZYMSJZNRIPN-UHFFFAOYSA-N 2 0 262.319 2.523 20 0 CFADRP CC[C@H](O)C[N@@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000892121005 617960966 /nfs/dbraw/zinc/96/09/66/617960966.db2.gz QOSRRHRDYBFTRJ-SFHVURJKSA-N 2 0 290.451 2.601 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000892200709 617996096 /nfs/dbraw/zinc/99/60/96/617996096.db2.gz HHFFLJHMRKFVKT-ZDUSSCGKSA-N 2 0 258.475 2.792 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(OC)ncc2F)CC1 ZINC000672603517 618020431 /nfs/dbraw/zinc/02/04/31/618020431.db2.gz DVSTVYZFIPPLDD-LBPRGKRZSA-N 2 0 295.402 2.612 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000261593001 618109872 /nfs/dbraw/zinc/10/98/72/618109872.db2.gz MSFTZCFEXRYYQQ-CABCVRRESA-N 2 0 260.381 2.538 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926453732 618130508 /nfs/dbraw/zinc/13/05/08/618130508.db2.gz UOXZHWGNRRHUOL-MCIONIFRSA-N 2 0 264.413 2.822 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926453734 618130802 /nfs/dbraw/zinc/13/08/02/618130802.db2.gz UOXZHWGNRRHUOL-RDBSUJKOSA-N 2 0 264.413 2.822 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926460278 618136540 /nfs/dbraw/zinc/13/65/40/618136540.db2.gz XTTTXLPKOCZTEC-PMPSAXMXSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc(C[NH+](C)C)c1 ZINC000926507840 618165052 /nfs/dbraw/zinc/16/50/52/618165052.db2.gz LWHQCKRTTVRCAD-LSDHHAIUSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@@H](CC[NH2+]C1CCC2(CC1)OCCO2)[NH+]1CCCCC1 ZINC000161875176 618181180 /nfs/dbraw/zinc/18/11/80/618181180.db2.gz JSGQFBDKCTWTKD-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP C[N@H+](Cc1ccc2ncccc2c1)C1CCC([NH3+])CC1 ZINC000091843873 618202047 /nfs/dbraw/zinc/20/20/47/618202047.db2.gz JYOLDPBIZDRNAD-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1F ZINC000091844562 618202583 /nfs/dbraw/zinc/20/25/83/618202583.db2.gz HPXJZRIJPXGWGS-UHFFFAOYSA-N 2 0 250.361 2.836 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926560589 618209458 /nfs/dbraw/zinc/20/94/58/618209458.db2.gz SJPWJYFWWBQMIE-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP CSC1(C[NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000235227625 618214397 /nfs/dbraw/zinc/21/43/97/618214397.db2.gz NXNPJMLAOKBODM-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000309728967 618234162 /nfs/dbraw/zinc/23/41/62/618234162.db2.gz OHHJBKSTWRZGKX-UHFFFAOYSA-N 2 0 282.387 2.845 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925567001 618248167 /nfs/dbraw/zinc/24/81/67/618248167.db2.gz MYLOQBJNVMOBGN-OAGGEKHMSA-N 2 0 293.499 2.747 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000925572273 618253384 /nfs/dbraw/zinc/25/33/84/618253384.db2.gz LQUOQASDUKFKDH-FUCKSNOFSA-N 2 0 270.420 2.723 20 0 CFADRP CCN1CCCC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925576937 618259685 /nfs/dbraw/zinc/25/96/85/618259685.db2.gz ZEMYMZDRWWVCMP-ZWKOTPCHSA-N 2 0 289.467 2.931 20 0 CFADRP CCc1cnccc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893291269 618260564 /nfs/dbraw/zinc/26/05/64/618260564.db2.gz MHRJTOZONQNERF-CYBMUJFWSA-N 2 0 261.413 2.636 20 0 CFADRP COC1CCC(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000893998550 618268166 /nfs/dbraw/zinc/26/81/66/618268166.db2.gz GUTBWRRKNCUNMS-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894077411 618313012 /nfs/dbraw/zinc/31/30/12/618313012.db2.gz UEXRTPWTVJYAKG-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CC1(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895112151 618313103 /nfs/dbraw/zinc/31/31/03/618313103.db2.gz MTQAXGNBRGIQED-HDJSIYSDSA-N 2 0 259.397 2.958 20 0 CFADRP C[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000925613912 618314614 /nfs/dbraw/zinc/31/46/14/618314614.db2.gz UZKQYCCUXIKQLP-HLLBOEOZSA-N 2 0 275.440 2.539 20 0 CFADRP Cc1cccc(OCCC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892469105 618315595 /nfs/dbraw/zinc/31/55/95/618315595.db2.gz CAMALWXOYVCKNG-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP CCC1(O)CCC([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925615182 618319122 /nfs/dbraw/zinc/31/91/22/618319122.db2.gz NCBOSIDUOQMNQI-SAGYGOJTSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925620254 618333752 /nfs/dbraw/zinc/33/37/52/618333752.db2.gz GABPKINUPVBBLA-WMLDXEAASA-N 2 0 275.440 2.537 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2C2CCC2)CC1 ZINC000895124374 618337537 /nfs/dbraw/zinc/33/75/37/618337537.db2.gz KGHQFYCQVBYUEV-INIZCTEOSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925621698 618338506 /nfs/dbraw/zinc/33/85/06/618338506.db2.gz MDPHAHZKAJDXSZ-ZFWWWQNUSA-N 2 0 281.488 2.745 20 0 CFADRP COC[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(C)o1 ZINC000925622028 618340259 /nfs/dbraw/zinc/34/02/59/618340259.db2.gz IJVHNHSTCDYANL-MCIONIFRSA-N 2 0 280.412 2.771 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925624379 618345480 /nfs/dbraw/zinc/34/54/80/618345480.db2.gz WPVYKMUWGLCBGN-MRXNPFEDSA-N 2 0 281.488 2.760 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000925624191 618347074 /nfs/dbraw/zinc/34/70/74/618347074.db2.gz WDUYGNJUMHWQMU-HZPDHXFCSA-N 2 0 288.391 2.691 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925625638 618347742 /nfs/dbraw/zinc/34/77/42/618347742.db2.gz JAVOJIDXISSNFO-ZACQAIPSSA-N 2 0 296.499 2.787 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@@H](C)O1 ZINC000925629882 618356977 /nfs/dbraw/zinc/35/69/77/618356977.db2.gz MHDIGIIKJMRQKN-BQGCOEIASA-N 2 0 280.456 2.700 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925631681 618360826 /nfs/dbraw/zinc/36/08/26/618360826.db2.gz WGJGSWKTXKBGGZ-XJKSGUPXSA-N 2 0 276.424 2.604 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(F)cc1 ZINC000925632037 618361142 /nfs/dbraw/zinc/36/11/42/618361142.db2.gz ZCXZOUWWEWLVAA-VYDXJSESSA-N 2 0 294.414 2.529 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000262150043 618368986 /nfs/dbraw/zinc/36/89/86/618368986.db2.gz ZVVMGMISLHJOEZ-OAHLLOKOSA-N 2 0 282.815 2.650 20 0 CFADRP C[C@@H]1CCC[C@@](CNC(=[NH2+])NC2CCCC2)([NH+](C)C)C1 ZINC000052047916 618371612 /nfs/dbraw/zinc/37/16/12/618371612.db2.gz DLJTYPAOGFCBHV-CZUORRHYSA-N 2 0 280.460 2.553 20 0 CFADRP C[C@@H](CCN[C@@H]1CC[NH2+]C12CCCC2)[NH+]1CCCCC1 ZINC000925637922 618372993 /nfs/dbraw/zinc/37/29/93/618372993.db2.gz UTRGONDQFLBWJH-JKSUJKDBSA-N 2 0 279.472 2.515 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(O)cc(F)c1 ZINC000926665698 618382509 /nfs/dbraw/zinc/38/25/09/618382509.db2.gz KLAIGSJIGHPILK-GYSYKLTISA-N 2 0 266.360 2.522 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nccs1 ZINC000925648312 618395350 /nfs/dbraw/zinc/39/53/50/618395350.db2.gz SSTQGGYIHCIJSC-IJLUTSLNSA-N 2 0 267.442 2.742 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000925662389 618426017 /nfs/dbraw/zinc/42/60/17/618426017.db2.gz HLXPISBLYRCKFI-ZENOOKHLSA-N 2 0 262.397 2.576 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000925668893 618436818 /nfs/dbraw/zinc/43/68/18/618436818.db2.gz LKQJZQZBRBGIJO-MGPQQGTHSA-N 2 0 274.408 2.658 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000925669811 618440827 /nfs/dbraw/zinc/44/08/27/618440827.db2.gz FJXRGFKGDSVAPB-VHSXEESVSA-N 2 0 264.335 2.825 20 0 CFADRP COCC(C)(C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925671907 618443635 /nfs/dbraw/zinc/44/36/35/618443635.db2.gz FMLOFRAMCMRULG-OAHLLOKOSA-N 2 0 264.413 2.729 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925675631 618447879 /nfs/dbraw/zinc/44/78/79/618447879.db2.gz XMMDJMRZWMOCGU-KKUMJFAQSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925679677 618458538 /nfs/dbraw/zinc/45/85/38/618458538.db2.gz LGUITIOEUZEMEP-DGAVXFQQSA-N 2 0 256.434 2.543 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C12CCC2 ZINC000925680322 618459902 /nfs/dbraw/zinc/45/99/02/618459902.db2.gz QDLCJOXHAUNFMI-UONOGXRCSA-N 2 0 298.789 2.717 20 0 CFADRP C[C@H](N)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000925686757 618480020 /nfs/dbraw/zinc/48/00/20/618480020.db2.gz YCTBBRCSPAGSHO-WMLDXEAASA-N 2 0 275.440 2.539 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925685739 618480055 /nfs/dbraw/zinc/48/00/55/618480055.db2.gz OUMOGFBJBQMNAH-KNXALSJPSA-N 2 0 292.398 2.625 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOCC2CCCC2)C1 ZINC000925685720 618480078 /nfs/dbraw/zinc/48/00/78/618480078.db2.gz OOGNNXYTDFOHLN-HUUCEWRRSA-N 2 0 268.445 2.689 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCCO1 ZINC000895223855 618483895 /nfs/dbraw/zinc/48/38/95/618483895.db2.gz BVPCLFUBZFAERN-GWONACJQSA-N 2 0 266.429 2.549 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895290228 618512528 /nfs/dbraw/zinc/51/25/28/618512528.db2.gz DHKMDBYEDSAVTH-DZKIICNBSA-N 2 0 264.413 2.692 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000895292536 618514840 /nfs/dbraw/zinc/51/48/40/618514840.db2.gz DCNDWCNQGOVXCE-HUUCEWRRSA-N 2 0 291.439 2.642 20 0 CFADRP COCCC1(C[NH2+]CC[C@H](C)[NH+](C)C)CCCCC1 ZINC000895293694 618516738 /nfs/dbraw/zinc/51/67/38/618516738.db2.gz JOBWUIJHCURFBW-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H](CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000895296200 618518004 /nfs/dbraw/zinc/51/80/04/618518004.db2.gz AJVKWHGYXPDLQN-SOLBZPMBSA-N 2 0 295.515 2.959 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895296592 618519088 /nfs/dbraw/zinc/51/90/88/618519088.db2.gz PUYPSNPLPUUYDY-WMLDXEAASA-N 2 0 296.430 2.703 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000895376397 618556360 /nfs/dbraw/zinc/55/63/60/618556360.db2.gz BODUNWLXVZHISL-BZUAXINKSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccn1C ZINC000895375733 618558542 /nfs/dbraw/zinc/55/85/42/618558542.db2.gz DGTUNVNYLOGQLN-GOEBONIOSA-N 2 0 263.429 2.577 20 0 CFADRP Cc1ncc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)o1 ZINC000895381614 618559571 /nfs/dbraw/zinc/55/95/71/618559571.db2.gz UWXGSPDPIRAXCL-SWLSCSKDSA-N 2 0 265.401 2.535 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CCC3(CC3(F)F)CC2)CC1 ZINC000895403102 618574276 /nfs/dbraw/zinc/57/42/76/618574276.db2.gz JMCJFHQXARFDIC-UHFFFAOYSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CSC3)CC2)C1 ZINC000895421726 618582207 /nfs/dbraw/zinc/58/22/07/618582207.db2.gz VYDIBYPMYPTKBD-CJNGLKHVSA-N 2 0 282.497 2.982 20 0 CFADRP CC(C)[C@H](O)[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000895436911 618584908 /nfs/dbraw/zinc/58/49/08/618584908.db2.gz FLBHZHVDDVPEPB-ROUUACIJSA-N 2 0 290.451 2.676 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000895445863 618591134 /nfs/dbraw/zinc/59/11/34/618591134.db2.gz JPPGPLOXVIFJKR-OAHLLOKOSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ncoc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000895469262 618601548 /nfs/dbraw/zinc/60/15/48/618601548.db2.gz XSLAHQUKFLOCHI-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(CCOc2ccccc2C)C1 ZINC000177839600 618607796 /nfs/dbraw/zinc/60/77/96/618607796.db2.gz IYORUOROKRSQGJ-INIZCTEOSA-N 2 0 276.424 2.647 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926734783 618617805 /nfs/dbraw/zinc/61/78/05/618617805.db2.gz ARFNLANLSIXAFH-AVGNSLFASA-N 2 0 258.356 2.638 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)nc1 ZINC000892583647 618642364 /nfs/dbraw/zinc/64/23/64/618642364.db2.gz CWBFMPXEBNESMX-OAHLLOKOSA-N 2 0 291.439 2.834 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892590494 618645001 /nfs/dbraw/zinc/64/50/01/618645001.db2.gz VUFVNRNELGWANY-CALCHBBNSA-N 3 0 295.515 2.676 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000892623850 618659373 /nfs/dbraw/zinc/65/93/73/618659373.db2.gz QXFIXQTWKVYYFL-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP CN(CCC[NH2+]CC1CC[NH+](C)CC1)c1ccccc1F ZINC000892649739 618673366 /nfs/dbraw/zinc/67/33/66/618673366.db2.gz CEKAFUDKXDVHLV-UHFFFAOYSA-N 2 0 293.430 2.583 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(CCCOC)CCC2)C1 ZINC000892668041 618688009 /nfs/dbraw/zinc/68/80/09/618688009.db2.gz HEEIQGWTKLMYJX-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926816823 618712429 /nfs/dbraw/zinc/71/24/29/618712429.db2.gz PCVBVZAJKXMALX-JJRVBVJISA-N 2 0 278.440 2.948 20 0 CFADRP CC(=O)OC[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000892697985 618717184 /nfs/dbraw/zinc/71/71/84/618717184.db2.gz XCGWAINMNKUJEM-CQSZACIVSA-N 2 0 292.423 2.568 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924604786 618746477 /nfs/dbraw/zinc/74/64/77/618746477.db2.gz AMGZMWFVJBLDIF-ROUUACIJSA-N 2 0 290.451 2.899 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(C)(O)CC2)c1 ZINC000892939318 618774560 /nfs/dbraw/zinc/77/45/60/618774560.db2.gz YGRJSLDIPRNNRM-UHFFFAOYSA-N 2 0 290.451 2.922 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000892946872 618778458 /nfs/dbraw/zinc/77/84/58/618778458.db2.gz RFLQJZVFRPYUSR-GDBMZVCRSA-N 2 0 258.409 2.648 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2(c3ccccc3)CCOCC2)CC1 ZINC000892953864 618781715 /nfs/dbraw/zinc/78/17/15/618781715.db2.gz MATZUEIUNNTOMY-UHFFFAOYSA-N 2 0 288.435 2.624 20 0 CFADRP C[C@H](CCc1cccn1C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892954169 618782154 /nfs/dbraw/zinc/78/21/54/618782154.db2.gz TXVPASSVYZGWCV-ZBSSRIJBSA-N 2 0 275.440 2.561 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@]2(C)Br)C1 ZINC000893094370 618829034 /nfs/dbraw/zinc/82/90/34/618829034.db2.gz ICZQNCBIEXIHBD-XQHKEYJVSA-N 2 0 289.261 2.622 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000925510318 618847204 /nfs/dbraw/zinc/84/72/04/618847204.db2.gz UTRYOAZQIAJPEJ-ZYSHUDEJSA-N 2 0 297.446 2.967 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925510455 618848593 /nfs/dbraw/zinc/84/85/93/618848593.db2.gz WZFLHEVIHINVPZ-GDBMZVCRSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925510946 618848956 /nfs/dbraw/zinc/84/89/56/618848956.db2.gz CONZAWQILUTNAI-SJLPKXTDSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)Cc1cccs1 ZINC000925514325 618852782 /nfs/dbraw/zinc/85/27/82/618852782.db2.gz DJARZYUQVACEPX-AAEUAGOBSA-N 2 0 252.427 2.657 20 0 CFADRP CCOCCC1(C[NH2+]CC2CC[NH+](C)CC2)CCC1 ZINC000893167026 618858292 /nfs/dbraw/zinc/85/82/92/618858292.db2.gz FLLRDHYKEBXJEE-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP C(CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C[NH+]1CCCCC1 ZINC000925520755 618859087 /nfs/dbraw/zinc/85/90/87/618859087.db2.gz SMFUZOXUSHOEEQ-ZWKOTPCHSA-N 2 0 293.499 2.620 20 0 CFADRP CCN(CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925520613 618859158 /nfs/dbraw/zinc/85/91/58/618859158.db2.gz RZORZZNVAUZMHM-IRXDYDNUSA-N 2 0 287.451 2.763 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925528107 618876627 /nfs/dbraw/zinc/87/66/27/618876627.db2.gz SNCJUFRAXNKLOF-QLFBSQMISA-N 2 0 282.472 2.541 20 0 CFADRP C[C@H](CCN[C@@H]1CC[NH2+]C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000925530786 618883041 /nfs/dbraw/zinc/88/30/41/618883041.db2.gz UKXYJLDCUFSWMM-NVXWUHKLSA-N 2 0 289.467 2.627 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925532882 618885787 /nfs/dbraw/zinc/88/57/87/618885787.db2.gz YJKNBYLFJCBOKJ-DGAVXFQQSA-N 2 0 268.470 2.910 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925532893 618886181 /nfs/dbraw/zinc/88/61/81/618886181.db2.gz YJKNBYLFJCBOKJ-RFQIPJPRSA-N 2 0 268.470 2.910 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000925535239 618888134 /nfs/dbraw/zinc/88/81/34/618888134.db2.gz UGGFSXIDOADKED-GOEBONIOSA-N 2 0 293.499 2.889 20 0 CFADRP CC(C)[C@@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925541026 618899546 /nfs/dbraw/zinc/89/95/46/618899546.db2.gz ACNWDFJNEDFIJG-ZACQAIPSSA-N 2 0 293.499 2.602 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCC(C)=O)CC1 ZINC000182737653 618899965 /nfs/dbraw/zinc/89/99/65/618899965.db2.gz ZRUCLRIPTKTIAP-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925541828 618901478 /nfs/dbraw/zinc/90/14/78/618901478.db2.gz KGMSFAQLVGXXNH-XZEYQLJZSA-N 2 0 280.481 2.637 20 0 CFADRP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C2 ZINC000893264420 618915285 /nfs/dbraw/zinc/91/52/85/618915285.db2.gz CYVFMLOSCVOWTL-JEQQUTEPSA-N 2 0 299.462 2.647 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000925558847 618922816 /nfs/dbraw/zinc/92/28/16/618922816.db2.gz WIIIWEYNTUVKOD-ZWKOTPCHSA-N 2 0 287.451 2.541 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000194175307 618932534 /nfs/dbraw/zinc/93/25/34/618932534.db2.gz DNAAJVQOFHFPTC-HNNXBMFYSA-N 2 0 254.418 2.781 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000925691461 618935376 /nfs/dbraw/zinc/93/53/76/618935376.db2.gz NERDDPZXEBGYBE-ZACQAIPSSA-N 2 0 276.424 2.607 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925692508 618937748 /nfs/dbraw/zinc/93/77/48/618937748.db2.gz LUEZEFUBDUWQIO-IKGGRYGDSA-N 2 0 287.451 2.669 20 0 CFADRP Cc1nc(C)c(CN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)s1 ZINC000931312357 618939103 /nfs/dbraw/zinc/93/91/03/618939103.db2.gz WKDRGYPNVPSQIO-GASCZTMLSA-N 2 0 279.453 2.534 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925695881 618947573 /nfs/dbraw/zinc/94/75/73/618947573.db2.gz XWAOEFRJAQMSGL-ZWKOTPCHSA-N 2 0 287.451 2.956 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697322 618950792 /nfs/dbraw/zinc/95/07/92/618950792.db2.gz DMSYQLHSPHNROF-APHBMKBZSA-N 3 0 275.440 2.702 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925702360 618955253 /nfs/dbraw/zinc/95/52/53/618955253.db2.gz OIRGCYCASIFHKH-KDOFPFPSSA-N 2 0 283.419 2.584 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925706091 618960568 /nfs/dbraw/zinc/96/05/68/618960568.db2.gz FDRSALXYIAOIRL-GDLCADMTSA-N 2 0 296.361 2.592 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925706368 618961028 /nfs/dbraw/zinc/96/10/28/618961028.db2.gz CODINBZEMIBVRJ-QEJZJMRPSA-N 2 0 264.438 2.950 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)co1 ZINC000925707409 618962024 /nfs/dbraw/zinc/96/20/24/618962024.db2.gz ITJBCUMVNQRFDD-HZPDHXFCSA-N 2 0 262.397 2.580 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1(F)F ZINC000925707677 618962063 /nfs/dbraw/zinc/96/20/63/618962063.db2.gz QFMLZJFZHXHLHX-MXWKQRLJSA-N 2 0 260.372 2.773 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925708485 618962891 /nfs/dbraw/zinc/96/28/91/618962891.db2.gz MHIJJPZLASFDNA-IRXDYDNUSA-N 2 0 283.419 2.580 20 0 CFADRP COCc1csc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925709986 618964583 /nfs/dbraw/zinc/96/45/83/618964583.db2.gz PTXDXQOULZZJHY-STQMWFEESA-N 2 0 282.453 2.890 20 0 CFADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000925710994 618964872 /nfs/dbraw/zinc/96/48/72/618964872.db2.gz YJCONKDMYQUXHM-RDJZCZTQSA-N 2 0 291.483 2.658 20 0 CFADRP CCC(CC)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893400507 618968274 /nfs/dbraw/zinc/96/82/74/618968274.db2.gz FMGLPXJFJVTNAS-IAGOWNOFSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]([NH3+])C1 ZINC000925719590 618977310 /nfs/dbraw/zinc/97/73/10/618977310.db2.gz APJANCSEYCKVGF-QMIVOQANSA-N 2 0 250.430 2.918 20 0 CFADRP CCOC[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000313237763 618977499 /nfs/dbraw/zinc/97/74/99/618977499.db2.gz VRCIKAYTRWNLSJ-QGZVFWFLSA-N 2 0 288.435 2.723 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2F)C[C@@H]([NH3+])C1 ZINC000925721909 618981463 /nfs/dbraw/zinc/98/14/63/618981463.db2.gz IACYTWJJMKXNHQ-NEPJUHHUSA-N 2 0 268.351 2.960 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@H]2CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925722247 618984108 /nfs/dbraw/zinc/98/41/08/618984108.db2.gz KEPYIKDYQLSAHZ-MQYQWHSLSA-N 2 0 268.470 2.638 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C12CCC2 ZINC000925737227 619046719 /nfs/dbraw/zinc/04/67/19/619046719.db2.gz QBTAEYWFTYAOBH-UTUOFQBUSA-N 2 0 258.356 2.671 20 0 CFADRP COc1cccc2c1OCCC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000925767766 619079077 /nfs/dbraw/zinc/07/90/77/619079077.db2.gz HCMRVXZMRXUQLN-SSDMNJCBSA-N 2 0 290.407 2.768 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000925767883 619079109 /nfs/dbraw/zinc/07/91/09/619079109.db2.gz QVNNHLFNWHTZNG-SJORKVTESA-N 2 0 278.440 2.597 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(Br)c1 ZINC000258922929 619089733 /nfs/dbraw/zinc/08/97/33/619089733.db2.gz OOLMEKUNOXIIEH-UHFFFAOYSA-N 2 0 271.202 2.666 20 0 CFADRP CC1(C)CO[C@@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925773308 619089775 /nfs/dbraw/zinc/08/97/75/619089775.db2.gz CKPCUQHUKSPFGL-MCIONIFRSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777262 619098640 /nfs/dbraw/zinc/09/86/40/619098640.db2.gz CXYCLACBTUOWHO-MNOVXSKESA-N 2 0 274.380 2.514 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000925777255 619098828 /nfs/dbraw/zinc/09/88/28/619098828.db2.gz CWOIYKGPAIZWJJ-BPHCLYMKSA-N 2 0 284.394 2.646 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925780576 619102736 /nfs/dbraw/zinc/10/27/36/619102736.db2.gz TXXGTQJSDWSNKM-ZFWWWQNUSA-N 2 0 280.362 2.817 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000925783168 619106953 /nfs/dbraw/zinc/10/69/53/619106953.db2.gz DASAOHYXJDBGKS-ILXRZTDVSA-N 2 0 276.424 2.818 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000925784669 619109994 /nfs/dbraw/zinc/10/99/94/619109994.db2.gz JYMFIBWXDORKQD-JHNDHUHGSA-N 2 0 273.424 2.553 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000925786788 619112217 /nfs/dbraw/zinc/11/22/17/619112217.db2.gz UYYQWNBVHMAFKQ-MDZLAQPJSA-N 2 0 260.372 2.646 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796757 619119165 /nfs/dbraw/zinc/11/91/65/619119165.db2.gz DGDGTCFKIKDIRQ-XJKCOSOUSA-N 2 0 289.423 2.541 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925798488 619120317 /nfs/dbraw/zinc/12/03/17/619120317.db2.gz KXQSDPZSUZIQPB-SIIHOXLZSA-N 2 0 288.435 2.908 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925803524 619124202 /nfs/dbraw/zinc/12/42/02/619124202.db2.gz ZLDWNRNSKWPCFN-OIYCOIKZSA-N 2 0 268.470 2.638 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3ncccc3c2)C12CCC2 ZINC000925815319 619133910 /nfs/dbraw/zinc/13/39/10/619133910.db2.gz WFDVLJZDVYKPAS-IRXDYDNUSA-N 2 0 281.403 2.637 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C2CC2)c1 ZINC000925817415 619135962 /nfs/dbraw/zinc/13/59/62/619135962.db2.gz RPHSLHQQLONGEP-AWEZNQCLSA-N 2 0 287.451 2.638 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000094965761 619141561 /nfs/dbraw/zinc/14/15/61/619141561.db2.gz OIBOTXPZTFTBSP-UHFFFAOYSA-N 2 0 281.469 2.872 20 0 CFADRP C[C@@H]1NCCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925825252 619146798 /nfs/dbraw/zinc/14/67/98/619146798.db2.gz YRQGNQFVTHCAJY-ORBLRFAASA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+]C1CCC([NH3+])CC1 ZINC000925825809 619148862 /nfs/dbraw/zinc/14/88/62/619148862.db2.gz HZABFHIIJCJHKU-IUDNXUCKSA-N 2 0 268.445 2.831 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2ccccc21 ZINC000925829526 619160799 /nfs/dbraw/zinc/16/07/99/619160799.db2.gz CJXQGYKVNBVWDZ-QBPKDAKJSA-N 2 0 272.392 2.680 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@H](C)C1C[NH2+]C1 ZINC000925835723 619166762 /nfs/dbraw/zinc/16/67/62/619166762.db2.gz TXDUBRRKDPBSAL-GFCCVEGCSA-N 2 0 264.438 2.539 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000925835584 619167161 /nfs/dbraw/zinc/16/71/61/619167161.db2.gz UDJJMGQUTMDOLK-QNWHQSFQSA-N 2 0 294.361 2.594 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000261575951 619172534 /nfs/dbraw/zinc/17/25/34/619172534.db2.gz NLAHNUZXCNCAGY-UTUOFQBUSA-N 2 0 264.335 2.649 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925839633 619172965 /nfs/dbraw/zinc/17/29/65/619172965.db2.gz SDGOVJZDLRSBNF-LJISPDSOSA-N 2 0 280.362 2.752 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000925841053 619174484 /nfs/dbraw/zinc/17/44/84/619174484.db2.gz YSATZTSFMDNLFV-CABCVRRESA-N 2 0 287.407 2.786 20 0 CFADRP Fc1cncc([C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C2CC2)c1 ZINC000925841797 619175250 /nfs/dbraw/zinc/17/52/50/619175250.db2.gz SSMQDODPJTVYEZ-BRWVUGGUSA-N 2 0 289.398 2.794 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843272 619175968 /nfs/dbraw/zinc/17/59/68/619175968.db2.gz DLOVEQLLJQZCJF-HNNXBMFYSA-N 2 0 295.496 2.783 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925856389 619185861 /nfs/dbraw/zinc/18/58/61/619185861.db2.gz FMERNRSXDNADBU-UMQBVGHOSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925861698 619187668 /nfs/dbraw/zinc/18/76/68/619187668.db2.gz RWXGHYHHZLSSCM-OLZOCXBDSA-N 2 0 256.459 2.912 20 0 CFADRP CCC[C@@H](O)CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925859819 619187076 /nfs/dbraw/zinc/18/70/76/619187076.db2.gz SKBTUYTXBBJICB-HZPDHXFCSA-N 2 0 264.413 2.607 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925871964 619193290 /nfs/dbraw/zinc/19/32/90/619193290.db2.gz MLYFGIBLYNSSNY-NXOAAHMSSA-N 2 0 285.435 2.969 20 0 CFADRP Cc1cc(F)c(CN[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000925874022 619195281 /nfs/dbraw/zinc/19/52/81/619195281.db2.gz GQWMSKLWFRTFDL-NSHDSACASA-N 2 0 254.324 2.505 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876113 619196825 /nfs/dbraw/zinc/19/68/25/619196825.db2.gz RGRZKGFELNXJHT-YCPHGPKFSA-N 2 0 274.408 2.926 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000925876718 619197460 /nfs/dbraw/zinc/19/74/60/619197460.db2.gz GEMHCNGWARAWPQ-UHOFOFEASA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925879369 619199486 /nfs/dbraw/zinc/19/94/86/619199486.db2.gz BYOGIDVXTVAHOA-CWAQJACASA-N 2 0 288.435 2.904 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880297 619200471 /nfs/dbraw/zinc/20/04/71/619200471.db2.gz IQDLGYXHRIDQFH-DZUCGIPZSA-N 2 0 258.409 2.725 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000925879751 619200557 /nfs/dbraw/zinc/20/05/57/619200557.db2.gz JUHOXDBOQKCUQD-KCXAZCMYSA-N 2 0 290.407 2.641 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925880744 619201138 /nfs/dbraw/zinc/20/11/38/619201138.db2.gz OBQQMOLHADIZBY-SZMVWBNQSA-N 2 0 288.435 2.798 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000925882712 619202396 /nfs/dbraw/zinc/20/23/96/619202396.db2.gz QCCKXNBGXBHIOT-ZLDLUXBVSA-N 2 0 265.376 2.635 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925894271 619208179 /nfs/dbraw/zinc/20/81/79/619208179.db2.gz VWPQGIXUDWAYJU-BZUAXINKSA-N 2 0 280.456 2.989 20 0 CFADRP Cc1ccc2c(CC[NH2+]CC3CC[NH+](C)CC3)cn(C)c2c1 ZINC000893874626 619233047 /nfs/dbraw/zinc/23/30/47/619233047.db2.gz LLNCJOYGDGANSW-UHFFFAOYSA-N 2 0 299.462 2.961 20 0 CFADRP COCC1([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000925924720 619239313 /nfs/dbraw/zinc/23/93/13/619239313.db2.gz ZRRFHVQEMGJXOE-CYBMUJFWSA-N 2 0 262.397 2.578 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000894210157 619258844 /nfs/dbraw/zinc/25/88/44/619258844.db2.gz CVPSQEJZLWIGQL-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305467916 619268981 /nfs/dbraw/zinc/26/89/81/619268981.db2.gz XHDARHAAMGYWPY-IAGOWNOFSA-N 2 0 282.472 2.734 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924966732 619309002 /nfs/dbraw/zinc/30/90/02/619309002.db2.gz UKBJQVJNRBLEED-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261915820 619313998 /nfs/dbraw/zinc/31/39/98/619313998.db2.gz JXDMUPBMOIUGRL-UMVBOHGHSA-N 2 0 264.388 2.988 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(CC(F)(F)F)CC2)CC1 ZINC000894306710 619321456 /nfs/dbraw/zinc/32/14/56/619321456.db2.gz SNLHAMXSEZTEIB-UHFFFAOYSA-N 2 0 278.362 2.993 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261938360 619330170 /nfs/dbraw/zinc/33/01/70/619330170.db2.gz DKSZXFGYUNZXJF-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP Fc1cc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000261953938 619348970 /nfs/dbraw/zinc/34/89/70/619348970.db2.gz GILAYRXOFHXKQF-UHFFFAOYSA-N 2 0 284.325 2.679 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000261991634 619359660 /nfs/dbraw/zinc/35/96/60/619359660.db2.gz KHSGLDGDNBDPCT-CJNGLKHVSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000261991637 619359756 /nfs/dbraw/zinc/35/97/56/619359756.db2.gz KHSGLDGDNBDPCT-XJKSGUPXSA-N 2 0 262.372 2.615 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ocnc1C ZINC000894383398 619360963 /nfs/dbraw/zinc/36/09/63/619360963.db2.gz ICTUIACPIQMCQY-GFCCVEGCSA-N 2 0 253.390 2.583 20 0 CFADRP CCn1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(C)n1 ZINC000894626002 619432043 /nfs/dbraw/zinc/43/20/43/619432043.db2.gz KHBYIAVUMVPBME-UHFFFAOYSA-N 2 0 278.444 2.567 20 0 CFADRP C[C@H]1CC2(CC([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C2)CO1 ZINC000925086759 619479344 /nfs/dbraw/zinc/47/93/44/619479344.db2.gz RZIAJRHSZAKZED-UJEKJILKSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@]1(Br)C[C@H]1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894847894 619481961 /nfs/dbraw/zinc/48/19/61/619481961.db2.gz JDYLWFRVAPBBOL-WCQYABFASA-N 2 0 294.196 2.597 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262074250 619487452 /nfs/dbraw/zinc/48/74/52/619487452.db2.gz SKIVVPMNVBEFTG-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000925101778 619517986 /nfs/dbraw/zinc/51/79/86/619517986.db2.gz JQYCSCKYKBMTQN-CTVHLWBWSA-N 2 0 294.483 2.758 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H](C)C1(F)F ZINC000895549454 619549707 /nfs/dbraw/zinc/54/97/07/619549707.db2.gz FUHCUIBBHPYKRQ-TXEJJXNPSA-N 2 0 260.372 2.551 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000895704712 619587066 /nfs/dbraw/zinc/58/70/66/619587066.db2.gz OMCSFJXLABDYAB-MSOLQXFVSA-N 2 0 288.435 2.526 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@]2(O)CCCC(C)(C)CC2)CC1 ZINC000895699311 619588271 /nfs/dbraw/zinc/58/82/71/619588271.db2.gz LOIOQJCPNKFMRJ-QGZVFWFLSA-N 2 0 282.472 2.639 20 0 CFADRP COc1cc2c(N[C@@H]3CC[N@H+](C)[C@H]3C)cc[nH+]c2cc1F ZINC000895736633 619597498 /nfs/dbraw/zinc/59/74/98/619597498.db2.gz ODEPFXXITDAMFY-GXFFZTMASA-N 2 0 289.354 2.887 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CC(C)(C)COC)CC1 ZINC000895822139 619614911 /nfs/dbraw/zinc/61/49/11/619614911.db2.gz KVEBUYGMKPBTLF-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000895934438 619639604 /nfs/dbraw/zinc/63/96/04/619639604.db2.gz BTAIYRQYAURYMJ-UHFFFAOYSA-N 2 0 291.439 2.621 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000896225432 619696526 /nfs/dbraw/zinc/69/65/26/619696526.db2.gz YGOXDEBLLRKRPJ-GFCCVEGCSA-N 2 0 294.336 2.695 20 0 CFADRP CCOCc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000054242874 619862161 /nfs/dbraw/zinc/86/21/61/619862161.db2.gz QBTUIIVUZKLKOK-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000925220936 620034106 /nfs/dbraw/zinc/03/41/06/620034106.db2.gz KSWXYYBTJOXZHY-MWDXBVQZSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@H]1CCCOC1 ZINC000872082149 620086048 /nfs/dbraw/zinc/08/60/48/620086048.db2.gz QDAXLNSJSKYWPG-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CCOCC2)CC[N@@H+]1C ZINC000897445467 620173683 /nfs/dbraw/zinc/17/36/83/620173683.db2.gz IIFNCRPKJQJLFW-DZGCQCFKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)CC[N@@H+]1C ZINC000897476423 620182330 /nfs/dbraw/zinc/18/23/30/620182330.db2.gz RWBBUGQRINZIFQ-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@](O)(CCC(F)(F)F)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897518318 620201785 /nfs/dbraw/zinc/20/17/85/620201785.db2.gz FZWJZYGPAJNXPV-AVGNSLFASA-N 2 0 296.377 2.542 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)CCCO)CC1 ZINC000925300074 620234520 /nfs/dbraw/zinc/23/45/20/620234520.db2.gz GIXSUNLUQLAYON-UHFFFAOYSA-N 2 0 284.488 2.885 20 0 CFADRP COc1ccc2c(NC[C@H](C)[NH+](C)C)cc[nH+]c2c1 ZINC000785776008 620234882 /nfs/dbraw/zinc/23/48/82/620234882.db2.gz MBRSUYPBEWKLBJ-NSHDSACASA-N 2 0 259.353 2.605 20 0 CFADRP CC(C)C(C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)C(C)C ZINC000897620707 620262188 /nfs/dbraw/zinc/26/21/88/620262188.db2.gz WOSPTLPLBMFOLK-GOEBONIOSA-N 2 0 252.446 2.798 20 0 CFADRP CN(C)Cc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)s1 ZINC000897746232 620282019 /nfs/dbraw/zinc/28/20/19/620282019.db2.gz ABULXVXVQNOTMQ-YOGCLGLASA-N 2 0 297.493 2.721 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCSC(C)(C)C2)CC1 ZINC000897790252 620285119 /nfs/dbraw/zinc/28/51/19/620285119.db2.gz SUMVIYUSOXGSSO-ZDUSSCGKSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC(C)(C)O2)[C@@H](C)C1 ZINC000898048676 620321627 /nfs/dbraw/zinc/32/16/27/620321627.db2.gz PGAJCJLEMHGHEY-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898035156 620327370 /nfs/dbraw/zinc/32/73/70/620327370.db2.gz MQCMVWBOKWZWRD-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898112787 620335846 /nfs/dbraw/zinc/33/58/46/620335846.db2.gz VIRXSQQEWPZRFK-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000898298545 620367283 /nfs/dbraw/zinc/36/72/83/620367283.db2.gz OGXXAPDUMXHNMB-MRXNPFEDSA-N 2 0 298.390 2.526 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)CC(C)(C)C[NH+](C)C)cn1 ZINC000898308301 620370937 /nfs/dbraw/zinc/37/09/37/620370937.db2.gz WYJQZQSYWURDTE-UHFFFAOYSA-N 2 0 277.456 2.842 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000323299284 620408841 /nfs/dbraw/zinc/40/88/41/620408841.db2.gz BGRMZMTVWZKLIW-UHFFFAOYSA-N 2 0 289.467 2.713 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCCC(F)(F)F)[C@H](C)C1 ZINC000866543791 620409902 /nfs/dbraw/zinc/40/99/02/620409902.db2.gz WWYPNBIQXXPSGL-NEPJUHHUSA-N 2 0 298.418 2.992 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000866708678 620416370 /nfs/dbraw/zinc/41/63/70/620416370.db2.gz SSBWQPHNVWIWFC-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP Clc1ccnc2c1CC[C@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924645802 620431471 /nfs/dbraw/zinc/43/14/71/620431471.db2.gz AHNZDVSJIPNVFI-XHDPSFHLSA-N 2 0 291.826 2.796 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927129980 620461172 /nfs/dbraw/zinc/46/11/72/620461172.db2.gz QUMFIFYOMMBEDH-BMFZPTHFSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCOc2cccc(F)c2)CC[N@@H+]1C ZINC000898444746 620466016 /nfs/dbraw/zinc/46/60/16/620466016.db2.gz LOXDMRPBANHFKE-DZGCQCFKSA-N 2 0 280.387 2.667 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000924736386 620484647 /nfs/dbraw/zinc/48/46/47/620484647.db2.gz XLLLRWZXPONELK-KZNAEPCWSA-N 2 0 288.435 2.635 20 0 CFADRP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924749894 620521774 /nfs/dbraw/zinc/52/17/74/620521774.db2.gz QOKRYAUDMVMMQJ-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2(Br)CC2)C1 ZINC000924750123 620523105 /nfs/dbraw/zinc/52/31/05/620523105.db2.gz CSMQURORIXLJEZ-NWDGAFQWSA-N 2 0 289.261 2.624 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2csc(C[NH3+])c2)c1 ZINC000899322090 620543525 /nfs/dbraw/zinc/54/35/25/620543525.db2.gz CYMKJOVSXKLXGY-UHFFFAOYSA-N 2 0 276.405 2.814 20 0 CFADRP C[NH+](C)CCOc1ccccc1-c1ccc2c(c1)C[C@H]([NH3+])C2 ZINC000899324801 620543817 /nfs/dbraw/zinc/54/38/17/620543817.db2.gz OMUFXAXLIXWJSB-QGZVFWFLSA-N 2 0 296.414 2.720 20 0 CFADRP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC000899323955 620543933 /nfs/dbraw/zinc/54/39/33/620543933.db2.gz KRDXZIWZSAFYTF-KRWDZBQOSA-N 2 0 296.418 2.977 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](COc2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000899588689 620584264 /nfs/dbraw/zinc/58/42/64/620584264.db2.gz HKXCMCTXEKWTRG-SHTZXODSSA-N 2 0 288.435 2.519 20 0 CFADRP CNc1ccccc1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000902078569 620969417 /nfs/dbraw/zinc/96/94/17/620969417.db2.gz OAYQKAFXXUNLKF-OAHLLOKOSA-N 2 0 275.440 2.940 20 0 CFADRP CNc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000902280548 621013215 /nfs/dbraw/zinc/01/32/15/621013215.db2.gz SRRCSNKTJYZCCQ-MQVJKMGUSA-N 2 0 273.424 2.833 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902330611 621038621 /nfs/dbraw/zinc/03/86/21/621038621.db2.gz QJPKNNVMNWNYPR-CVEARBPZSA-N 2 0 295.515 2.865 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2cc(F)ccc2F)C1 ZINC000902333938 621039606 /nfs/dbraw/zinc/03/96/06/621039606.db2.gz NUIIRKLEVRSIBL-AWEZNQCLSA-N 2 0 282.378 2.875 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccsc1 ZINC000902334586 621040411 /nfs/dbraw/zinc/04/04/11/621040411.db2.gz QZSDZCRTWXXDQZ-GJZGRUSLSA-N 2 0 295.496 2.719 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N(C)c1ccccc1 ZINC000902338531 621042318 /nfs/dbraw/zinc/04/23/18/621042318.db2.gz MXJZHPHUWIFKHM-CVEARBPZSA-N 2 0 289.467 2.879 20 0 CFADRP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902368634 621043171 /nfs/dbraw/zinc/04/31/71/621043171.db2.gz GTQAGYCUQSODNN-LSDHHAIUSA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902367766 621043489 /nfs/dbraw/zinc/04/34/89/621043489.db2.gz CVQLPVWJCILANQ-CQSZACIVSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@](O)(CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902376054 621046207 /nfs/dbraw/zinc/04/62/07/621046207.db2.gz HPEKEQWBFIDIAF-AEFFLSMTSA-N 2 0 290.451 2.652 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375781 621046673 /nfs/dbraw/zinc/04/66/73/621046673.db2.gz FOTYZTXZGHBSPN-PMPSAXMXSA-N 2 0 282.472 2.948 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000902359818 621052540 /nfs/dbraw/zinc/05/25/40/621052540.db2.gz HDFMIAHALRLPKL-OAHLLOKOSA-N 2 0 291.439 2.738 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](CO)CC2CCCC2)C1 ZINC000902381081 621058705 /nfs/dbraw/zinc/05/87/05/621058705.db2.gz CPXFEZUYEQJLNF-HOTGVXAUSA-N 2 0 282.472 2.543 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C1 ZINC000902384313 621059663 /nfs/dbraw/zinc/05/96/63/621059663.db2.gz INLRDNWKCPXWGI-OAHLLOKOSA-N 2 0 287.451 2.871 20 0 CFADRP CCc1ccc([C@@H](O)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902385584 621060072 /nfs/dbraw/zinc/06/00/72/621060072.db2.gz WBOTZWFZBBUDPX-SJORKVTESA-N 2 0 290.451 2.650 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CC(F)(F)F ZINC000902389812 621062259 /nfs/dbraw/zinc/06/22/59/621062259.db2.gz AMZMUWDJMVKLNP-GHMZBOCLSA-N 2 0 266.351 2.943 20 0 CFADRP CC[NH2+][C@H](C)CN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392256 621062487 /nfs/dbraw/zinc/06/24/87/621062487.db2.gz GGRHEQYWCLMLIQ-WBMJQRKESA-N 2 0 299.409 2.723 20 0 CFADRP CC1(C)C[NH2+]CC[C@H](NCC[NH2+]C2CCCCCC2)C1 ZINC000902395175 621064981 /nfs/dbraw/zinc/06/49/81/621064981.db2.gz ZWHYWPBHQNXDNW-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)C1 ZINC000902398927 621066701 /nfs/dbraw/zinc/06/67/01/621066701.db2.gz MBQGIIXMYSFSIP-MAZHCROVSA-N 2 0 274.408 2.533 20 0 CFADRP CC1(C)C[NH2+]CC[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000902398934 621066726 /nfs/dbraw/zinc/06/67/26/621066726.db2.gz MGYPDIMDQINLCV-HOTGVXAUSA-N 2 0 293.499 2.761 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1C ZINC000902402399 621068353 /nfs/dbraw/zinc/06/83/53/621068353.db2.gz CWUZBTZJPVXRTO-FRRDWIJNSA-N 2 0 250.386 2.780 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000902403494 621068922 /nfs/dbraw/zinc/06/89/22/621068922.db2.gz HKCSUYPVUXKGKJ-KCPJHIHWSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902402933 621068975 /nfs/dbraw/zinc/06/89/75/621068975.db2.gz POAILPDBIOGCTH-CAEXGNQWSA-N 2 0 250.430 2.646 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000902404335 621069490 /nfs/dbraw/zinc/06/94/90/621069490.db2.gz JQIAAIHRRJZGIJ-SLHHOWHOSA-N 2 0 274.408 2.937 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)C1 ZINC000902405893 621070071 /nfs/dbraw/zinc/07/00/71/621070071.db2.gz LIXRBVYPCOAAGM-CABCVRRESA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000902429366 621075988 /nfs/dbraw/zinc/07/59/88/621075988.db2.gz JWXYYKAGWKTUPC-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000902428775 621076133 /nfs/dbraw/zinc/07/61/33/621076133.db2.gz HWULLMMBCLLFKG-GWCFXTLKSA-N 2 0 268.788 2.566 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C1CC1 ZINC000902430199 621076756 /nfs/dbraw/zinc/07/67/56/621076756.db2.gz HTKGEMYAHQLALO-CZUORRHYSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCOCC1 ZINC000902430391 621076921 /nfs/dbraw/zinc/07/69/21/621076921.db2.gz IUDVQSWQIYWYHP-OAHLLOKOSA-N 2 0 282.472 2.807 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)[C@@H]1CCC[NH2+]1 ZINC000902432136 621077809 /nfs/dbraw/zinc/07/78/09/621077809.db2.gz VLTQEFIRGMXTIZ-KKUMJFAQSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CC1)[C@H](C)c1nc2ccccc2s1 ZINC000902413923 621084151 /nfs/dbraw/zinc/08/41/51/621084151.db2.gz PQZZJZNMZILLRY-QWRGUYRKSA-N 2 0 275.421 2.869 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902476200 621087380 /nfs/dbraw/zinc/08/73/80/621087380.db2.gz NNASEKZFIBVXEV-LHKMKVQPSA-N 2 0 291.483 2.512 20 0 CFADRP [NH3+]CCC[C@H](NC[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902477762 621088298 /nfs/dbraw/zinc/08/82/98/621088298.db2.gz RORMPQJUPXFFGD-SJORKVTESA-N 2 0 275.440 2.588 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000902453503 621093139 /nfs/dbraw/zinc/09/31/39/621093139.db2.gz DKMSDPGUMMUISG-ZBFHGGJFSA-N 2 0 293.455 2.821 20 0 CFADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000902455531 621094148 /nfs/dbraw/zinc/09/41/48/621094148.db2.gz KTMWFKAGZVJIMM-BRWVUGGUSA-N 2 0 293.499 2.619 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000902459169 621095738 /nfs/dbraw/zinc/09/57/38/621095738.db2.gz YARIWFBTVZMOQH-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902461208 621095976 /nfs/dbraw/zinc/09/59/76/621095976.db2.gz MDTBEMPQICBTEC-MWDXBVQZSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCC(F)(F)CC1 ZINC000902463983 621097737 /nfs/dbraw/zinc/09/77/37/621097737.db2.gz CCBWAMVIUOHOBI-FTYKPCCVSA-N 2 0 258.356 2.683 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCC(F)(F)CC1 ZINC000902464392 621098173 /nfs/dbraw/zinc/09/81/73/621098173.db2.gz CCBWAMVIUOHOBI-ZBAXXZLZSA-N 2 0 258.356 2.683 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)cc1 ZINC000902465229 621098845 /nfs/dbraw/zinc/09/88/45/621098845.db2.gz GTLWDZDAXAZZKM-IGKNDFSCSA-N 2 0 270.420 2.880 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902467608 621100006 /nfs/dbraw/zinc/10/00/06/621100006.db2.gz PMWICQZAKKMNCG-MTVMDMGHSA-N 2 0 262.319 2.590 20 0 CFADRP C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902471258 621101661 /nfs/dbraw/zinc/10/16/61/621101661.db2.gz LITPDGPWRPYTKP-UKNAQKAOSA-N 2 0 299.462 2.522 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489998 621102213 /nfs/dbraw/zinc/10/22/13/621102213.db2.gz QRCPXFWJDQKMRX-DLOVCJGASA-N 2 0 267.442 2.963 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489941 621102277 /nfs/dbraw/zinc/10/22/77/621102277.db2.gz QIXKVQQCLSOQCB-XNRPHZJLSA-N 2 0 284.407 2.569 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902490722 621102332 /nfs/dbraw/zinc/10/23/32/621102332.db2.gz SNNMMZUWDLBIFS-DZUCGIPZSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000902504312 621106813 /nfs/dbraw/zinc/10/68/13/621106813.db2.gz NTEGFEYTZDBKFM-PVXIVEMSSA-N 2 0 259.397 2.854 20 0 CFADRP c1ccc(N2CCC([NH2+]C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902481717 621109320 /nfs/dbraw/zinc/10/93/20/621109320.db2.gz GANWLLITNBLYMG-KRWDZBQOSA-N 2 0 287.451 2.777 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902513593 621109377 /nfs/dbraw/zinc/10/93/77/621109377.db2.gz MHRVIMMSIWNUFU-BZUAXINKSA-N 2 0 298.434 2.653 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902513594 621109416 /nfs/dbraw/zinc/10/94/16/621109416.db2.gz MHRVIMMSIWNUFU-HRCADAONSA-N 2 0 298.434 2.653 20 0 CFADRP Cc1ncccc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000902513636 621109429 /nfs/dbraw/zinc/10/94/29/621109429.db2.gz NALKEJDAHUHMRH-QZTJIDSGSA-N 2 0 287.451 2.690 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902485229 621110972 /nfs/dbraw/zinc/11/09/72/621110972.db2.gz JQKFGVJBOSPHHZ-MPKXVKKWSA-N 2 0 297.240 2.707 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1OC ZINC000902484749 621111095 /nfs/dbraw/zinc/11/10/95/621111095.db2.gz HIIXIYFBBMLNCV-QVHKTLOISA-N 2 0 292.423 2.523 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)ccc1SC ZINC000902485980 621111485 /nfs/dbraw/zinc/11/14/85/621111485.db2.gz DJZGOQUAKXKWFK-GVXVVHGQSA-N 2 0 280.437 2.805 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000902487294 621112730 /nfs/dbraw/zinc/11/27/30/621112730.db2.gz SOTOKDHYJNXGQK-NXOAAHMSSA-N 2 0 258.409 2.725 20 0 CFADRP CCC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(OC)cc1 ZINC000902488396 621112745 /nfs/dbraw/zinc/11/27/45/621112745.db2.gz MHXRLFJEQHAKRO-XNRPHZJLSA-N 2 0 262.397 2.863 20 0 CFADRP CNc1ccccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000902584985 621131756 /nfs/dbraw/zinc/13/17/56/621131756.db2.gz AXWVXRKAFHOMEX-UHFFFAOYSA-N 2 0 261.413 2.692 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000902601280 621133085 /nfs/dbraw/zinc/13/30/85/621133085.db2.gz MJQWBBWEGACQBB-UHFFFAOYSA-N 2 0 275.440 2.999 20 0 CFADRP C(CN1CCCC1)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902725901 621158645 /nfs/dbraw/zinc/15/86/45/621158645.db2.gz HWRWVWAWVVPEGP-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCOCC1 ZINC000902742393 621163258 /nfs/dbraw/zinc/16/32/58/621163258.db2.gz OYSDAUNYXSURJM-CRAIPNDOSA-N 2 0 294.483 2.902 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000902776413 621171070 /nfs/dbraw/zinc/17/10/70/621171070.db2.gz KQPCOVAZEPLLPU-NVXWUHKLSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902795235 621178997 /nfs/dbraw/zinc/17/89/97/621178997.db2.gz ASGYECHBOFHPMP-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1COc2ccccc2C1 ZINC000902797387 621180145 /nfs/dbraw/zinc/18/01/45/621180145.db2.gz USLCMLMHXLEPED-ZOBUZTSGSA-N 2 0 288.435 2.558 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000903062268 621237879 /nfs/dbraw/zinc/23/78/79/621237879.db2.gz PXSYINRRQLQYFS-ZWKOTPCHSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)C[C@@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903090679 621248608 /nfs/dbraw/zinc/24/86/08/621248608.db2.gz FVBQAMLOPKHEBK-WRXVUKFLSA-N 2 0 293.499 2.710 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000903090947 621248711 /nfs/dbraw/zinc/24/87/11/621248711.db2.gz JWNRTAUKFWZIGG-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CSCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903097715 621251787 /nfs/dbraw/zinc/25/17/87/621251787.db2.gz ISAKMWZMXVEHOE-IKKMQULASA-N 2 0 268.470 2.875 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCOCC1 ZINC000903104883 621254502 /nfs/dbraw/zinc/25/45/02/621254502.db2.gz NBMNCMZNDICKAW-ONQFOCNCSA-N 2 0 292.467 2.939 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCC[C@H]3OCC[C@H]31)C2 ZINC000903112300 621256246 /nfs/dbraw/zinc/25/62/46/621256246.db2.gz MWKLRRMIDVCSLY-HQISSTHRSA-N 2 0 290.451 2.691 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903112271 621259720 /nfs/dbraw/zinc/25/97/20/621259720.db2.gz GRPFPBUNYVBYFE-VUZHLFFPSA-N 2 0 278.440 2.549 20 0 CFADRP Cc1ncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)s1 ZINC000903124449 621261055 /nfs/dbraw/zinc/26/10/55/621261055.db2.gz GNXUBPQWQFAQPZ-LQDVMPOASA-N 2 0 291.464 2.741 20 0 CFADRP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCCC1 ZINC000903127446 621262363 /nfs/dbraw/zinc/26/23/63/621262363.db2.gz YCLUZFCOUMHZQH-ZXFUBFMLSA-N 2 0 292.467 2.677 20 0 CFADRP C([NH2+][C@@H]1CCOC12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000903159357 621270820 /nfs/dbraw/zinc/27/08/20/621270820.db2.gz GYDWAJJFMSKIPJ-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@H]2CCC[C@H]21 ZINC000903161986 621271480 /nfs/dbraw/zinc/27/14/80/621271480.db2.gz SAGNRCNVVFEYNZ-UHDSXZAQSA-N 2 0 262.441 2.885 20 0 CFADRP C1CC1[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903150699 621273237 /nfs/dbraw/zinc/27/32/37/621273237.db2.gz AQASRXIVKCTOST-BDFJQQSHSA-N 2 0 290.451 2.691 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903177401 621275942 /nfs/dbraw/zinc/27/59/42/621275942.db2.gz MHXURRALEYNFEW-SMMMKCNCSA-N 2 0 280.456 2.795 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000903194047 621280768 /nfs/dbraw/zinc/28/07/68/621280768.db2.gz YDZOXUXGNKTKNW-MSOLQXFVSA-N 2 0 295.430 2.994 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903196452 621281965 /nfs/dbraw/zinc/28/19/65/621281965.db2.gz OPDOKFNFOVCXLU-YQAQFAQXSA-N 2 0 291.483 2.607 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)O1 ZINC000903200417 621283309 /nfs/dbraw/zinc/28/33/09/621283309.db2.gz PESKDLBPSCUZMI-IBWRZXHSSA-N 2 0 278.440 2.691 20 0 CFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903208110 621288260 /nfs/dbraw/zinc/28/82/60/621288260.db2.gz ZOXTWVGDCQFMCF-UBPBFGEGSA-N 2 0 278.440 2.546 20 0 CFADRP C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)C1CC[NH+](C)CC1 ZINC000903239436 621294206 /nfs/dbraw/zinc/29/42/06/621294206.db2.gz FOGMVZWYOUWKDU-AWEZNQCLSA-N 2 0 290.455 2.503 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000903252124 621299690 /nfs/dbraw/zinc/29/96/90/621299690.db2.gz APCOJDFESFOCHY-BQULAQKPSA-N 2 0 294.483 2.758 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cnccn1 ZINC000903255221 621300716 /nfs/dbraw/zinc/30/07/16/621300716.db2.gz ZCQXMTIJTNBWFT-HPUBIQBYSA-N 2 0 288.439 2.924 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC12CCCCC2)C1CC[NH+](C)CC1 ZINC000903275149 621310741 /nfs/dbraw/zinc/31/07/41/621310741.db2.gz WZLNNQBSHRECON-GOEBONIOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC000903301141 621315834 /nfs/dbraw/zinc/31/58/34/621315834.db2.gz NQGKBDVCPJQBGD-XYVMCAHJSA-N 2 0 293.499 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@H]2CCC[C@H]21 ZINC000903350673 621343259 /nfs/dbraw/zinc/34/32/59/621343259.db2.gz DHVFLXHZNWYHSC-XUWVNRHRSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000903385482 621356931 /nfs/dbraw/zinc/35/69/31/621356931.db2.gz XKPRIPADVDNZJF-CVEARBPZSA-N 2 0 261.413 2.853 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903426423 621370715 /nfs/dbraw/zinc/37/07/15/621370715.db2.gz IEBSEWNPMYGKEE-CABCVRRESA-N 2 0 262.397 2.645 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000903431152 621372038 /nfs/dbraw/zinc/37/20/38/621372038.db2.gz PFYXQUFTZVHHKK-USXIJHARSA-N 2 0 276.399 2.960 20 0 CFADRP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)c1cccc(O)c1 ZINC000903431307 621372105 /nfs/dbraw/zinc/37/21/05/621372105.db2.gz RTLHDERRHDPVQO-NFAWXSAZSA-N 2 0 262.397 2.903 20 0 CFADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1cccc(O)c1 ZINC000903431064 621372220 /nfs/dbraw/zinc/37/22/20/621372220.db2.gz LBFCACLLKHUMOX-IPYPFGDCSA-N 2 0 262.397 2.631 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000903431070 621372334 /nfs/dbraw/zinc/37/23/34/621372334.db2.gz LFERDDZUGAJJEH-KMFMINBZSA-N 2 0 276.399 2.688 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCc3sccc3C2)C1 ZINC000903435767 621373352 /nfs/dbraw/zinc/37/33/52/621373352.db2.gz ZAVRMVRUXQOOOT-WCQYABFASA-N 2 0 250.411 2.624 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000903437990 621375214 /nfs/dbraw/zinc/37/52/14/621375214.db2.gz PBBAMIJLDCOSRT-BMFZPTHFSA-N 2 0 276.399 2.546 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000903438421 621375327 /nfs/dbraw/zinc/37/53/27/621375327.db2.gz VISRQIDNSSXAHR-CJNGLKHVSA-N 2 0 276.399 2.861 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439107 621375941 /nfs/dbraw/zinc/37/59/41/621375941.db2.gz DLHJYXRLSASKHB-JHNDHUHGSA-N 2 0 258.409 2.720 20 0 CFADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440149 621376493 /nfs/dbraw/zinc/37/64/93/621376493.db2.gz USKVEINCUKLVCY-SQNIBIBYSA-N 2 0 290.451 2.633 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1F ZINC000903423445 621379167 /nfs/dbraw/zinc/37/91/67/621379167.db2.gz VGZRUQNXWLIRSJ-LLVKDONJSA-N 2 0 268.351 2.832 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903458526 621379614 /nfs/dbraw/zinc/37/96/14/621379614.db2.gz CCNZJDYZLOKCLA-MJBXVCDLSA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903457545 621380023 /nfs/dbraw/zinc/38/00/23/621380023.db2.gz WQFSLZPBZITBHM-ZBFHGGJFSA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1C[NH3+] ZINC000903459288 621380688 /nfs/dbraw/zinc/38/06/88/621380688.db2.gz GAYSMDAGRPBGDN-IOASZLSFSA-N 2 0 271.408 2.973 20 0 CFADRP C[C@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1C[NH3+] ZINC000903458690 621380812 /nfs/dbraw/zinc/38/08/12/621380812.db2.gz HFRIPNHIIZETAS-ARLBYUKCSA-N 2 0 294.389 2.952 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903461191 621381009 /nfs/dbraw/zinc/38/10/09/621381009.db2.gz OXFZGFQTOBMLBU-MCIONIFRSA-N 2 0 290.398 2.783 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)c1 ZINC000903463651 621382083 /nfs/dbraw/zinc/38/20/83/621382083.db2.gz HWOLQQZTUDIXRT-HFTRVMKXSA-N 2 0 288.435 2.786 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)c1 ZINC000903464054 621382093 /nfs/dbraw/zinc/38/20/93/621382093.db2.gz XZLMAACDNWZEOU-RVKKMQEKSA-N 2 0 288.435 2.514 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC000903464081 621382177 /nfs/dbraw/zinc/38/21/77/621382177.db2.gz YTWJLLWHCDBDOG-BHYGNILZSA-N 2 0 258.409 2.993 20 0 CFADRP c1ccc2oc([C@@H]3CCCN(C[C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000903442290 621382447 /nfs/dbraw/zinc/38/24/47/621382447.db2.gz OBGBEVPWMGFIMF-ZIAGYGMSSA-N 2 0 285.391 2.759 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC000903447498 621385180 /nfs/dbraw/zinc/38/51/80/621385180.db2.gz VBKORMYSZWCMLR-UHFFFAOYSA-N 2 0 280.362 2.849 20 0 CFADRP FC1(F)[C@@H](CN2CC[C@H]3[NH2+]CC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000903452037 621386614 /nfs/dbraw/zinc/38/66/14/621386614.db2.gz GRSUXCQNLNHSDE-QXSJWSMHSA-N 2 0 292.373 2.719 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903452372 621387555 /nfs/dbraw/zinc/38/75/55/621387555.db2.gz LKPAJXSIYUUUHF-RBSFLKMASA-N 2 0 280.362 2.706 20 0 CFADRP FC(F)(F)CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472975 621389983 /nfs/dbraw/zinc/38/99/83/621389983.db2.gz YFSGVXWMWOQVAI-JTQLQIEISA-N 2 0 250.308 2.593 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903482946 621392887 /nfs/dbraw/zinc/39/28/87/621392887.db2.gz ZRUUQOYKJQBWBY-SJORKVTESA-N 2 0 293.499 2.572 20 0 CFADRP ClC1(Cl)C[C@H]1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483992 621393221 /nfs/dbraw/zinc/39/32/21/621393221.db2.gz NKBOPJKCEPIXEL-MNOVXSKESA-N 2 0 277.239 2.835 20 0 CFADRP FC1(F)C[C@@]2(CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491160 621394641 /nfs/dbraw/zinc/39/46/41/621394641.db2.gz XUDVGFJHQLNBST-VXGBXAGGSA-N 2 0 294.336 2.743 20 0 CFADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2)C[C@H]1CC[NH3+] ZINC000903496639 621394654 /nfs/dbraw/zinc/39/46/54/621394654.db2.gz WMXXQXNTKWTRQP-HZPDHXFCSA-N 2 0 276.424 2.762 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@H]1CC[NH3+] ZINC000903496925 621394691 /nfs/dbraw/zinc/39/46/91/621394691.db2.gz KKSFIRJICJKBJV-CHWSQXEVSA-N 2 0 287.382 2.791 20 0 CFADRP Cn1ccc([C@H]2CCC[N@H+](CCCCCCC[NH3+])C2)n1 ZINC000903563695 621396851 /nfs/dbraw/zinc/39/68/51/621396851.db2.gz JHFORGLGHXWQMI-HNNXBMFYSA-N 2 0 278.444 2.509 20 0 CFADRP Fc1cccc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000903570190 621397753 /nfs/dbraw/zinc/39/77/53/621397753.db2.gz UXAFSYOGXRMWQA-AWEZNQCLSA-N 2 0 262.372 2.790 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000903575979 621398259 /nfs/dbraw/zinc/39/82/59/621398259.db2.gz XKOYXTRHMHTCCI-INIZCTEOSA-N 2 0 275.440 2.929 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1CF ZINC000903717548 621425009 /nfs/dbraw/zinc/42/50/09/621425009.db2.gz RMFUTVIRQYAIBM-OAHLLOKOSA-N 2 0 252.377 2.961 20 0 CFADRP CCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718429 621425527 /nfs/dbraw/zinc/42/55/27/621425527.db2.gz MHTIFLOCDPTDFX-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718658 621425549 /nfs/dbraw/zinc/42/55/49/621425549.db2.gz QIYYWCNCMOHYJG-XYPHTWIQSA-N 2 0 292.398 2.587 20 0 CFADRP CC1CCC([N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)CC1 ZINC000903721510 621425999 /nfs/dbraw/zinc/42/59/99/621425999.db2.gz BMPFIESOTCCTEE-NANBGGJNSA-N 2 0 292.467 2.798 20 0 CFADRP CCCCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722857 621426737 /nfs/dbraw/zinc/42/67/37/621426737.db2.gz DVVANWABVJRYFO-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903722305 621426867 /nfs/dbraw/zinc/42/68/67/621426867.db2.gz KJUVANFHKKPADV-HNNXBMFYSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cccc(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903723211 621426872 /nfs/dbraw/zinc/42/68/72/621426872.db2.gz FUCDZIXDRQKFRL-KRWDZBQOSA-N 2 0 288.435 2.586 20 0 CFADRP CCC(CC)[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903723693 621426882 /nfs/dbraw/zinc/42/68/82/621426882.db2.gz YAPSZQRCCVGSIE-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903725409 621428362 /nfs/dbraw/zinc/42/83/62/621428362.db2.gz BKZOTDPPCLPTLS-DOTOQJQBSA-N 2 0 288.435 2.874 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728403 621428785 /nfs/dbraw/zinc/42/87/85/621428785.db2.gz AMPOBIHRBLTLAX-JFIYKMOQSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903728372 621428889 /nfs/dbraw/zinc/42/88/89/621428889.db2.gz AAMHKPYVXJXTHG-JKSUJKDBSA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903729480 621429454 /nfs/dbraw/zinc/42/94/54/621429454.db2.gz NHVPGNGMDNOGLU-OAHLLOKOSA-N 2 0 288.435 2.833 20 0 CFADRP CCC1(CC)CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903730521 621429711 /nfs/dbraw/zinc/42/97/11/621429711.db2.gz XCEWDBPSOISJRG-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1Br ZINC000903713580 621430645 /nfs/dbraw/zinc/43/06/45/621430645.db2.gz WNDWRUCOVDHDAE-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903713665 621430846 /nfs/dbraw/zinc/43/08/46/621430846.db2.gz YZQKZJVNHCPGOJ-CYBMUJFWSA-N 2 0 250.361 2.588 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000903750112 621432654 /nfs/dbraw/zinc/43/26/54/621432654.db2.gz VCTRKBQXGSVYNC-CVEARBPZSA-N 2 0 273.424 2.520 20 0 CFADRP C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000903734641 621433791 /nfs/dbraw/zinc/43/37/91/621433791.db2.gz UHOVYYDNMUQOMU-SOLBZPMBSA-N 2 0 288.435 2.838 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000903764980 621437082 /nfs/dbraw/zinc/43/70/82/621437082.db2.gz CVEAHQCRPBTOGY-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@H](C[NH+]1CCC(C(C)(C)C[NH3+])CC1)C1CCCC1 ZINC000903790798 621438936 /nfs/dbraw/zinc/43/89/36/621438936.db2.gz BCTAPSKHUMVEOV-MRXNPFEDSA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+]C[C@H]1CN(Cc2ccccc2CF)C[C@@H]1C(F)(F)F ZINC000903781090 621441165 /nfs/dbraw/zinc/44/11/65/621441165.db2.gz NPTPFLJPZZXIJK-STQMWFEESA-N 2 0 290.304 2.725 20 0 CFADRP c1ccc2c(c1)C[N@H+](C[C@H]1CCCC[NH2+]C1)C[C@H]1CCCN21 ZINC000903784250 621441444 /nfs/dbraw/zinc/44/14/44/621441444.db2.gz MMSRTWBLJFEYCQ-FUHWJXTLSA-N 2 0 299.462 2.861 20 0 CFADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903786635 621442183 /nfs/dbraw/zinc/44/21/83/621442183.db2.gz NFGFXESPFYGTTN-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCCc2ccncc2)CCC1 ZINC000903810354 621446392 /nfs/dbraw/zinc/44/63/92/621446392.db2.gz BIGAVPRMVMQPSN-KRWDZBQOSA-N 2 0 287.451 2.998 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)o1 ZINC000903810970 621446994 /nfs/dbraw/zinc/44/69/94/621446994.db2.gz ILRCULHHIZPSPH-HNNXBMFYSA-N 2 0 277.412 2.775 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2C[C@H]3CCC[C@H]3O2)CCC1 ZINC000903811272 621447133 /nfs/dbraw/zinc/44/71/33/621447133.db2.gz KRKIPGPAXPSBLI-TWMKSMIVSA-N 2 0 292.467 2.928 20 0 CFADRP CCSCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812927 621447691 /nfs/dbraw/zinc/44/76/91/621447691.db2.gz BFLWWIFWLQQOPW-ZDUSSCGKSA-N 2 0 256.459 2.723 20 0 CFADRP Cc1cnccc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812451 621447738 /nfs/dbraw/zinc/44/77/38/621447738.db2.gz SXUMMEWDUBOROO-MRXNPFEDSA-N 2 0 273.424 2.874 20 0 CFADRP C(C1CCCCCC1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818702 621448488 /nfs/dbraw/zinc/44/84/88/621448488.db2.gz UKBUTERPSXPUIG-UHFFFAOYSA-N 2 0 280.456 2.801 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC(C)(C)[NH3+] ZINC000903939572 621481734 /nfs/dbraw/zinc/48/17/34/621481734.db2.gz JIVSOZJWGWUXGI-NSHDSACASA-N 2 0 254.805 2.988 20 0 CFADRP C[C@@H]1CSCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903829811 621451621 /nfs/dbraw/zinc/45/16/21/621451621.db2.gz LJALLEMOHSOVLP-CYBMUJFWSA-N 2 0 276.449 2.660 20 0 CFADRP C[C@H]1CSCCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903831280 621451751 /nfs/dbraw/zinc/45/17/51/621451751.db2.gz GOMOOZULXIAQRX-AVOUXACISA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCN1c1ccccc1 ZINC000903831586 621452160 /nfs/dbraw/zinc/45/21/60/621452160.db2.gz KDRWLEREZCXJRL-MRXNPFEDSA-N 2 0 275.440 2.716 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CCCCCC[NH3+])nc1 ZINC000903833437 621452781 /nfs/dbraw/zinc/45/27/81/621452781.db2.gz WQAQSHBEYQJUGY-INIZCTEOSA-N 2 0 277.412 2.746 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000903844686 621455034 /nfs/dbraw/zinc/45/50/34/621455034.db2.gz AXTBYBHHQIYMFB-NZUILWFCSA-N 2 0 256.393 2.876 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1cccc(Cl)c1)C2 ZINC000903849231 621455322 /nfs/dbraw/zinc/45/53/22/621455322.db2.gz BGUITGNQVWTIQH-YUTCNCBUSA-N 2 0 280.799 2.530 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000903849834 621455559 /nfs/dbraw/zinc/45/55/59/621455559.db2.gz HXNBKPQARJYDBK-YUTCNCBUSA-N 2 0 280.799 2.530 20 0 CFADRP Cc1cccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903879355 621463128 /nfs/dbraw/zinc/46/31/28/621463128.db2.gz ZGNOZOWQPJYIFN-AYHJJNSGSA-N 2 0 299.462 2.648 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000903884552 621464030 /nfs/dbraw/zinc/46/40/30/621464030.db2.gz CHFDFBSNENFIDA-DKUMPPAJSA-N 2 0 275.396 2.651 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903898003 621466880 /nfs/dbraw/zinc/46/68/80/621466880.db2.gz LBAKVDIYECBEOX-AYHJJNSGSA-N 3 0 293.499 2.571 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000903899821 621467550 /nfs/dbraw/zinc/46/75/50/621467550.db2.gz VXOLOUVIWRLPGG-LDBYLJPUSA-N 2 0 292.467 2.797 20 0 CFADRP CC[C@](C)([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC000903902627 621468899 /nfs/dbraw/zinc/46/88/99/621468899.db2.gz LECDDDVTDIEVNI-FLTXBFBQSA-N 2 0 279.453 2.889 20 0 CFADRP COc1cccc2c1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903902678 621469021 /nfs/dbraw/zinc/46/90/21/621469021.db2.gz MGSXRBQOUVJHGN-VHRNVKJDSA-N 2 0 286.419 2.584 20 0 CFADRP C[C@H](c1cccnc1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000903905380 621469326 /nfs/dbraw/zinc/46/93/26/621469326.db2.gz DENQWFKBYPIMST-CQSZACIVSA-N 2 0 281.403 2.920 20 0 CFADRP C[C@H]1C[C@H](c2cccnc2)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903908575 621470986 /nfs/dbraw/zinc/47/09/86/621470986.db2.gz LCJDQBLWPNYHHS-HJYMDDGLSA-N 2 0 285.435 2.995 20 0 CFADRP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(C)(C)C1 ZINC000903909351 621471048 /nfs/dbraw/zinc/47/10/48/621471048.db2.gz UGYKEEQEJPNNIG-AVOUXACISA-N 2 0 250.430 2.885 20 0 CFADRP CCOCCC1(C[NH2+]C[C@H]([NH3+])CC(F)F)CCCC1 ZINC000903919246 621473113 /nfs/dbraw/zinc/47/31/13/621473113.db2.gz BZAYKDPQFZTLNM-GFCCVEGCSA-N 2 0 278.387 2.546 20 0 CFADRP OCC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000903919252 621473145 /nfs/dbraw/zinc/47/31/45/621473145.db2.gz CAGHGUSAIWFSEW-LJQANCHMSA-N 2 0 296.414 2.546 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922772 621473584 /nfs/dbraw/zinc/47/35/84/621473584.db2.gz DODBAASIKJOFRL-FUDCBSFHSA-N 2 0 264.438 2.799 20 0 CFADRP CC(C)[C@H](C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000903923619 621474399 /nfs/dbraw/zinc/47/43/99/621474399.db2.gz YMWNTNZHGYNMAJ-ONQFOCNCSA-N 2 0 287.451 2.941 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC(C)(C)[NH3+])CC2)C1 ZINC000903939299 621475086 /nfs/dbraw/zinc/47/50/86/621475086.db2.gz FUOOMBNBTDVFLN-GDBMZVCRSA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CCC(C)(C)[NH3+])s1 ZINC000903938906 621476821 /nfs/dbraw/zinc/47/68/21/621476821.db2.gz PTCGUBOITLQWPA-UHFFFAOYSA-N 2 0 255.431 2.559 20 0 CFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000903939010 621477453 /nfs/dbraw/zinc/47/74/53/621477453.db2.gz BLXMPPHZZVNOIB-CYBMUJFWSA-N 2 0 291.439 2.683 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC(C)(C)[NH3+] ZINC000903939335 621477603 /nfs/dbraw/zinc/47/76/03/621477603.db2.gz GIOHUQNTJZCUCG-GFCCVEGCSA-N 2 0 274.412 2.601 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000903958043 621479266 /nfs/dbraw/zinc/47/92/66/621479266.db2.gz VYCHBIAWMGWCQI-CQSZACIVSA-N 2 0 291.345 2.569 20 0 CFADRP c1cc(C[NH2+]C2CCC=CCC2)c2c(c1)C[NH2+]CC2 ZINC000903959499 621479967 /nfs/dbraw/zinc/47/99/67/621479967.db2.gz JAEVGYJHFONTDZ-UHFFFAOYSA-N 2 0 256.393 2.921 20 0 CFADRP COc1ccccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960101 621480325 /nfs/dbraw/zinc/48/03/25/621480325.db2.gz XBVPPAVLQHNNOB-KRWDZBQOSA-N 2 0 274.408 2.661 20 0 CFADRP c1c(C[NH2+]C2CCC=CCC2)sc2c1C[NH2+]CC2 ZINC000903960232 621480528 /nfs/dbraw/zinc/48/05/28/621480528.db2.gz ZTOIBWAXBNZSIG-UHFFFAOYSA-N 2 0 262.422 2.982 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)c1)NCC2 ZINC000903960203 621480637 /nfs/dbraw/zinc/48/06/37/621480637.db2.gz YVIDAOKXPMKQHC-SFHVURJKSA-N 2 0 285.435 2.620 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000903959743 621480670 /nfs/dbraw/zinc/48/06/70/621480670.db2.gz NJLLXVMJRIHAEY-GVDBMIGSSA-N 2 0 280.456 2.657 20 0 CFADRP CCCOc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1OC ZINC000903940937 621482729 /nfs/dbraw/zinc/48/27/29/621482729.db2.gz JHHAKRUGRCYBMM-UHFFFAOYSA-N 2 0 280.412 2.701 20 0 CFADRP CCC1([NH3+])CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000903947557 621485209 /nfs/dbraw/zinc/48/52/09/621485209.db2.gz AWHSYKWFZRLZDZ-UHFFFAOYSA-N 2 0 261.413 2.526 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903949524 621486392 /nfs/dbraw/zinc/48/63/92/621486392.db2.gz BMHJLVRAWXUOAA-YOEHRIQHSA-N 2 0 296.418 2.589 20 0 CFADRP CCC1([NH3+])CCN([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000903948791 621486518 /nfs/dbraw/zinc/48/65/18/621486518.db2.gz UQTBCBTWNQVAOS-IAGOWNOFSA-N 2 0 287.451 2.683 20 0 CFADRP Cc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903955347 621490111 /nfs/dbraw/zinc/49/01/11/621490111.db2.gz PMDCAULQEHRTKI-OAHLLOKOSA-N 2 0 282.378 2.946 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955748 621490141 /nfs/dbraw/zinc/49/01/41/621490141.db2.gz AXEWQHDYCIPZMU-VHSXEESVSA-N 2 0 288.304 2.942 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000903956193 621490757 /nfs/dbraw/zinc/49/07/57/621490757.db2.gz IOPUMLMFBXLFLZ-JSGCOSHPSA-N 2 0 268.351 2.625 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956656 621491032 /nfs/dbraw/zinc/49/10/32/621491032.db2.gz MKSNSOKXWCASAZ-HIFRSBDPSA-N 2 0 282.378 2.842 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973554 621492380 /nfs/dbraw/zinc/49/23/80/621492380.db2.gz GIGBBGKQZFMDLM-GDBMZVCRSA-N 2 0 298.434 2.516 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000903975123 621492737 /nfs/dbraw/zinc/49/27/37/621492737.db2.gz XQARXXMMRVRDIF-TZMCWYRMSA-N 2 0 298.377 2.666 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)C[C@H]1CC[NH3+] ZINC000903977545 621493408 /nfs/dbraw/zinc/49/34/08/621493408.db2.gz SQRJMQLRMPRQAO-DGCLKSJQSA-N 2 0 279.453 2.827 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]1 ZINC000903978960 621494155 /nfs/dbraw/zinc/49/41/55/621494155.db2.gz PSLNIJCTFFVNBZ-WOPDTQHZSA-N 2 0 294.336 2.741 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903986162 621498854 /nfs/dbraw/zinc/49/88/54/621498854.db2.gz HCSGCZOBZQAPMD-GYXIZQIFSA-N 3 0 279.472 2.643 20 0 CFADRP CC(C)(/C=C\Cl)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903988075 621499479 /nfs/dbraw/zinc/49/94/79/621499479.db2.gz NFKQZFIFOGQADE-FPLPWBNLSA-N 2 0 264.800 2.953 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCCC[C@H]2c2ccncc2)C1 ZINC000904301450 621568677 /nfs/dbraw/zinc/56/86/77/621568677.db2.gz IJMCYSJHFRBYHS-IMJJTQAJSA-N 2 0 259.397 2.736 20 0 CFADRP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315948 621569574 /nfs/dbraw/zinc/56/95/74/621569574.db2.gz GTASMBRTOIJCKQ-JKIFEVAISA-N 2 0 298.434 2.930 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2CCc2ccccc2)C1 ZINC000904308174 621570096 /nfs/dbraw/zinc/57/00/96/621570096.db2.gz LEVFAWRPAQKTFQ-IXDOHACOSA-N 2 0 258.409 2.821 20 0 CFADRP C[C@@]1(CN2CC[NH+](CC3CCCCC3)CC2)CCC[NH2+]C1 ZINC000904307089 621570392 /nfs/dbraw/zinc/57/03/92/621570392.db2.gz KTFPBJNQEIXUQC-GOSISDBHSA-N 2 0 293.499 2.574 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000904312808 621570646 /nfs/dbraw/zinc/57/06/46/621570646.db2.gz ULAFOXKWGOMNDJ-HZPDHXFCSA-N 2 0 281.488 2.700 20 0 CFADRP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311654 621571150 /nfs/dbraw/zinc/57/11/50/621571150.db2.gz HAKJADWBFUISOJ-BJHJDKERSA-N 2 0 272.314 2.875 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000904316420 621572168 /nfs/dbraw/zinc/57/21/68/621572168.db2.gz OMLSDJAOUTZIHU-SFHVURJKSA-N 2 0 288.435 2.833 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904320997 621573637 /nfs/dbraw/zinc/57/36/37/621573637.db2.gz SSPGVXFHTXZREP-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322269 621574335 /nfs/dbraw/zinc/57/43/35/621574335.db2.gz UOIIGWJXKWATRC-XOKHGSTOSA-N 2 0 294.414 2.554 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCCCC2 ZINC000904324072 621575084 /nfs/dbraw/zinc/57/50/84/621575084.db2.gz TZXAOEBXALHXCC-QXSJWSMHSA-N 2 0 280.456 2.783 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CCC[NH2+]C1 ZINC000904325304 621575384 /nfs/dbraw/zinc/57/53/84/621575384.db2.gz VNIGIVOBKQQQSY-MSOLQXFVSA-N 2 0 287.451 2.953 20 0 CFADRP COc1cccc(CC2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000904331472 621576611 /nfs/dbraw/zinc/57/66/11/621576611.db2.gz IHPTYBQSTJNUQJ-CALCHBBNSA-N 2 0 288.435 2.687 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000904331432 621577097 /nfs/dbraw/zinc/57/70/97/621577097.db2.gz HSASAVGADKORNA-GXTWGEPZSA-N 2 0 267.442 2.568 20 0 CFADRP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328826 621577137 /nfs/dbraw/zinc/57/71/37/621577137.db2.gz STWZUEKDUCIJBJ-FOGDFJRCSA-N 2 0 266.335 2.621 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2c(F)cccc2F)C2CC2)C1 ZINC000904346021 621579416 /nfs/dbraw/zinc/57/94/16/621579416.db2.gz ONCKYZDMHWKTSV-PHIMTYICSA-N 2 0 266.335 2.667 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC12CCC2 ZINC000904345964 621579446 /nfs/dbraw/zinc/57/94/46/621579446.db2.gz NGLBKCKVOFYHLO-HUUCEWRRSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000904346181 621579754 /nfs/dbraw/zinc/57/97/54/621579754.db2.gz PZRCWTLOVGSGSW-UHOFOFEASA-N 2 0 290.382 2.600 20 0 CFADRP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1C(F)F ZINC000904353613 621581289 /nfs/dbraw/zinc/58/12/89/621581289.db2.gz OPSCBBYCVXOTRT-NSHDSACASA-N 2 0 272.314 2.853 20 0 CFADRP C[NH2+]Cc1ccc(NC[C@@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904355626 621581704 /nfs/dbraw/zinc/58/17/04/621581704.db2.gz VHOBJBNVZMGMFO-AWEZNQCLSA-N 2 0 263.429 2.972 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904355219 621581803 /nfs/dbraw/zinc/58/18/03/621581803.db2.gz OJLWIVPBPZAHLL-VIFPVBQESA-N 2 0 260.303 2.980 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1 ZINC000904355643 621581932 /nfs/dbraw/zinc/58/19/32/621581932.db2.gz VLVKTOGCWFAOKM-UHFFFAOYSA-N 2 0 281.403 2.793 20 0 CFADRP [NH3+]CC1CC([NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000904361250 621582818 /nfs/dbraw/zinc/58/28/18/621582818.db2.gz ZGRGQMFSDHWDTJ-UHFFFAOYSA-N 2 0 274.408 2.835 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904360263 621583152 /nfs/dbraw/zinc/58/31/52/621583152.db2.gz YOLLORQBCZMPOV-FZMZJTMJSA-N 2 0 281.444 2.966 20 0 CFADRP C[C@H]1CN(Cc2ccc(C[NH3+])cc2)c2ccccc2C[NH2+]1 ZINC000904358838 621583537 /nfs/dbraw/zinc/58/35/37/621583537.db2.gz TVDVWPFEHYMMHG-AWEZNQCLSA-N 2 0 281.403 2.644 20 0 CFADRP CC(C)(C)c1ccncc1CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904374032 621584585 /nfs/dbraw/zinc/58/45/85/621584585.db2.gz YPOLSFHVAHELBH-KRWDZBQOSA-N 2 0 275.440 2.858 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]([NH3+])CCC(C)(C)C)CC[NH2+]CC2 ZINC000904373142 621584699 /nfs/dbraw/zinc/58/46/99/621584699.db2.gz BUJQJXODRRMPQE-GJZGRUSLSA-N 3 0 281.488 2.604 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904373990 621584716 /nfs/dbraw/zinc/58/47/16/621584716.db2.gz XFWVZDXSZNBJSE-WLYUNCDWSA-N 2 0 269.477 2.602 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CCC[NH2+]C1 ZINC000904374311 621584841 /nfs/dbraw/zinc/58/48/41/621584841.db2.gz PLMDPNSWPNDRLN-IRXDYDNUSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904366440 621586072 /nfs/dbraw/zinc/58/60/72/621586072.db2.gz KONACVRMIARJJK-WFASDCNBSA-N 2 0 294.487 2.711 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904376382 621586854 /nfs/dbraw/zinc/58/68/54/621586854.db2.gz QRZHHVVGKDLEAQ-UHFFFAOYSA-N 2 0 272.314 2.982 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000904393435 621586861 /nfs/dbraw/zinc/58/68/61/621586861.db2.gz UFISFRSQPLFDCM-BZUAXINKSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+]CC1CC([NH2+]Cc2ccnc(Oc3ccccc3)c2)C1 ZINC000904375420 621587228 /nfs/dbraw/zinc/58/72/28/621587228.db2.gz ABKMQCFJDFGSLL-UHFFFAOYSA-N 2 0 283.375 2.701 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000904383679 621588179 /nfs/dbraw/zinc/58/81/79/621588179.db2.gz CIBUGVFSRQWMEZ-MWLCHTKSSA-N 2 0 272.314 2.790 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccncc1 ZINC000904380367 621588439 /nfs/dbraw/zinc/58/84/39/621588439.db2.gz LLAXPJYXMQHIJP-ZFWWWQNUSA-N 2 0 263.429 2.928 20 0 CFADRP C[C@]1(C[NH+]2CCC(Cc3nccs3)CC2)CCC[NH2+]C1 ZINC000904385187 621588878 /nfs/dbraw/zinc/58/88/78/621588878.db2.gz UWAMCJASZMHYMQ-INIZCTEOSA-N 2 0 293.480 2.787 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000904404936 621590281 /nfs/dbraw/zinc/59/02/81/621590281.db2.gz BOZLRBVJHITWSL-HNNXBMFYSA-N 2 0 281.403 2.919 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904406086 621590596 /nfs/dbraw/zinc/59/05/96/621590596.db2.gz PCQNSOINJDCXSE-INIZCTEOSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904409660 621590810 /nfs/dbraw/zinc/59/08/10/621590810.db2.gz FQXFVFLYIJBZNW-HLLBOEOZSA-N 2 0 260.425 2.782 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@H]1C[NH3+] ZINC000904409600 621590928 /nfs/dbraw/zinc/59/09/28/621590928.db2.gz DECIFWATYCONMW-ZFWWWQNUSA-N 2 0 288.435 2.817 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000904406505 621591109 /nfs/dbraw/zinc/59/11/09/621591109.db2.gz XMSIDCZVSZIPGQ-HNNXBMFYSA-N 2 0 274.408 2.646 20 0 CFADRP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000904407426 621591260 /nfs/dbraw/zinc/59/12/60/621591260.db2.gz VXVJAHDGNTXXDK-CQSZACIVSA-N 2 0 296.418 2.502 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@H]1C[NH3+] ZINC000904409856 621591291 /nfs/dbraw/zinc/59/12/91/621591291.db2.gz KKFLBJPIDVTDCP-DYVFJYSZSA-N 2 0 258.409 2.981 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410642 621591686 /nfs/dbraw/zinc/59/16/86/621591686.db2.gz QHEONBURVQNFKJ-GXTWGEPZSA-N 2 0 264.388 2.805 20 0 CFADRP C[C@@H]1CN(Cc2cc(F)c(F)cc2F)CC[C@H]1C[NH3+] ZINC000904410499 621591860 /nfs/dbraw/zinc/59/18/60/621591860.db2.gz GEONHQCGFVIKDK-ZJUUUORDSA-N 2 0 272.314 2.521 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904410461 621591944 /nfs/dbraw/zinc/59/19/44/621591944.db2.gz DWEHOILABFONLE-DZGCQCFKSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)CC[C@@H]1C[NH3+] ZINC000904410141 621591984 /nfs/dbraw/zinc/59/19/84/621591984.db2.gz BHUNNBUDLMSJED-NWDGAFQWSA-N 2 0 281.469 2.857 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)oc21 ZINC000904411912 621592355 /nfs/dbraw/zinc/59/23/55/621592355.db2.gz PXBDMRJSTKBLMJ-JSGCOSHPSA-N 2 0 288.391 2.858 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411588 621592767 /nfs/dbraw/zinc/59/27/67/621592767.db2.gz NUPJNYBGFMACDW-GDBMZVCRSA-N 2 0 298.434 2.504 20 0 CFADRP CCn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000904412864 621593060 /nfs/dbraw/zinc/59/30/60/621593060.db2.gz YASKCVALLGMDNV-INIZCTEOSA-N 2 0 290.455 2.505 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc2cccnc12 ZINC000904411947 621593586 /nfs/dbraw/zinc/59/35/86/621593586.db2.gz QQBGUZSGCDYEBR-YOEHRIQHSA-N 2 0 283.419 2.960 20 0 CFADRP c1c(C[NH2+][C@H]2CCCc3cccnc32)sc2c1C[NH2+]CC2 ZINC000904428951 621594721 /nfs/dbraw/zinc/59/47/21/621594721.db2.gz RTQBYBJHNNSOIP-HNNXBMFYSA-N 2 0 299.443 2.956 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000904432524 621595412 /nfs/dbraw/zinc/59/54/12/621595412.db2.gz AYOCDAWPINJMOU-QDZFIJTISA-N 2 0 292.467 2.656 20 0 CFADRP COc1ccc2cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)ccc2c1 ZINC000904421158 621597214 /nfs/dbraw/zinc/59/72/14/621597214.db2.gz QMSIWLUOJBMRRD-ZWKOTPCHSA-N 2 0 296.414 2.890 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)cc2c1OCC2 ZINC000904442239 621598495 /nfs/dbraw/zinc/59/84/95/621598495.db2.gz CGGNALHKDJIASD-LLVKDONJSA-N 2 0 294.826 2.925 20 0 CFADRP COCC(C)(C)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458641 621600234 /nfs/dbraw/zinc/60/02/34/621600234.db2.gz DFXQZAYTOYICPI-UHFFFAOYSA-N 2 0 290.451 2.652 20 0 CFADRP CSCC(C)(C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000904475585 621601900 /nfs/dbraw/zinc/60/19/00/621601900.db2.gz LZKIQAMNBRNYRP-UHFFFAOYSA-N 2 0 264.438 2.564 20 0 CFADRP Nc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c(F)c1 ZINC000904760170 621631918 /nfs/dbraw/zinc/63/19/18/621631918.db2.gz YJOPMVDSEQXWRO-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000905033746 621683416 /nfs/dbraw/zinc/68/34/16/621683416.db2.gz HJYPQGLQSYXMKL-LJQANCHMSA-N 2 0 298.430 2.880 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000905278063 621736980 /nfs/dbraw/zinc/73/69/80/621736980.db2.gz BHFWOBXCCHZHAB-SFHVURJKSA-N 2 0 288.435 2.635 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000905601314 621795724 /nfs/dbraw/zinc/79/57/24/621795724.db2.gz QHQHCNQTGFJQEB-ADKAHSJRSA-N 2 0 288.435 2.717 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 ZINC000906516996 621996539 /nfs/dbraw/zinc/99/65/39/621996539.db2.gz BSKZFELSZBJBKM-HAQNSBGRSA-N 2 0 258.287 2.593 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000841085757 622245487 /nfs/dbraw/zinc/24/54/87/622245487.db2.gz ABSZIDXKLVQOKR-UONOGXRCSA-N 2 0 250.411 2.562 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])C2CCCCCC2)cc1 ZINC000911845364 622563425 /nfs/dbraw/zinc/56/34/25/622563425.db2.gz IXUIIBPLXJXGTE-MLGOLLRUSA-N 2 0 289.423 2.943 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000163618323 622759209 /nfs/dbraw/zinc/75/92/09/622759209.db2.gz MVLUIBFKIHNNSW-SNVBAGLBSA-N 2 0 253.217 2.502 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000820806793 622760986 /nfs/dbraw/zinc/76/09/86/622760986.db2.gz RBJCBPXWQCTSMW-BBRMVZONSA-N 2 0 288.391 2.725 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820805857 622761292 /nfs/dbraw/zinc/76/12/92/622761292.db2.gz SRVLOGOJPCGDET-WBVHZDCISA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809591 622762093 /nfs/dbraw/zinc/76/20/93/622762093.db2.gz DPZFCULFYKFKDA-AIDGVLJZSA-N 2 0 280.456 2.531 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811513 622763509 /nfs/dbraw/zinc/76/35/09/622763509.db2.gz RIQLCQJGLYDRSN-XJKSGUPXSA-N 2 0 264.413 2.824 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820812614 622764865 /nfs/dbraw/zinc/76/48/65/622764865.db2.gz OKXDIYCVXVEHMR-RLFYNMQTSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000820830626 622770063 /nfs/dbraw/zinc/77/00/63/622770063.db2.gz XHKGPLZKACGFAP-JKIFEVAISA-N 2 0 276.424 2.966 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000165073994 622980056 /nfs/dbraw/zinc/98/00/56/622980056.db2.gz DLAKCDNZYUUZQV-MRXNPFEDSA-N 2 0 269.392 2.938 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cncc2ccccc21 ZINC000165085295 622980483 /nfs/dbraw/zinc/98/04/83/622980483.db2.gz KGEDSUVJUVBLGV-SWLSCSKDSA-N 2 0 255.365 2.546 20 0 CFADRP C[N@H+](Cc1ccc(Br)cn1)C1CCC([NH3+])CC1 ZINC000157335840 623028570 /nfs/dbraw/zinc/02/85/70/623028570.db2.gz DNUFCKOFQAWROP-UHFFFAOYSA-N 2 0 298.228 2.546 20 0 CFADRP CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000225151127 623028977 /nfs/dbraw/zinc/02/89/77/623028977.db2.gz KUQGUBWVWFRGJE-FZMZJTMJSA-N 2 0 252.427 2.918 20 0 CFADRP Cc1c(C[NH2+]CC2(C)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000226350598 623068373 /nfs/dbraw/zinc/06/83/73/623068373.db2.gz NDAXUIAINFDMLH-UHFFFAOYSA-N 2 0 291.395 2.725 20 0 CFADRP Clc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000226345962 623068765 /nfs/dbraw/zinc/06/87/65/623068765.db2.gz YRUIANHBSZUSOO-JTQLQIEISA-N 2 0 258.818 2.676 20 0 CFADRP C[C@@H](c1ccccc1F)[N@H+](C)CC1CC[NH2+]CC1 ZINC000062014555 623244263 /nfs/dbraw/zinc/24/42/63/623244263.db2.gz QSTDXZYMMNISOM-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP COc1cccc(CN(C)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000062862396 623300486 /nfs/dbraw/zinc/30/04/86/623300486.db2.gz OLNFGAQZFKBHBM-MRXNPFEDSA-N 2 0 262.397 2.517 20 0 CFADRP CN(CCC[NH+]1CCCCC1)C[C@](C)(O)c1ccccc1 ZINC000823604544 623357968 /nfs/dbraw/zinc/35/79/68/623357968.db2.gz DRLKQCDZPRBXCG-SFHVURJKSA-N 2 0 290.451 2.702 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000823841654 623403756 /nfs/dbraw/zinc/40/37/56/623403756.db2.gz HSBMFXMNSPBWII-LSDHHAIUSA-N 2 0 281.488 2.569 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000089146135 623573527 /nfs/dbraw/zinc/57/35/27/623573527.db2.gz KSUHFYMBZNSEJL-DOMZBBRYSA-N 2 0 268.351 2.614 20 0 CFADRP COC/C(C)=C/C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000930147782 624119739 /nfs/dbraw/zinc/11/97/39/624119739.db2.gz XEPPYOCCLNXQFD-VIZOYTHASA-N 2 0 268.445 2.633 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000829233751 624405991 /nfs/dbraw/zinc/40/59/91/624405991.db2.gz FTWKIGWUEBHSDS-VXGBXAGGSA-N 2 0 279.255 2.986 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000830029318 624605282 /nfs/dbraw/zinc/60/52/82/624605282.db2.gz YLNVIPLLXSNUFM-QZTJIDSGSA-N 2 0 293.499 2.667 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925475091 624650675 /nfs/dbraw/zinc/65/06/75/624650675.db2.gz DVHSCBSPCIMNII-PYTCMNEWSA-N 2 0 270.420 2.594 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925474996 624652248 /nfs/dbraw/zinc/65/22/48/624652248.db2.gz BBVWLFUBGYCNBC-DLBZAZTESA-N 2 0 278.440 2.853 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H](C)O)ccc1OC ZINC000182177462 625266460 /nfs/dbraw/zinc/26/64/60/625266460.db2.gz IVRRCWRRPFHUFY-ZIAGYGMSSA-N 2 0 294.439 2.568 20 0 CFADRP COc1c(C)cc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1Cl ZINC000817964929 625965982 /nfs/dbraw/zinc/96/59/82/625965982.db2.gz JORCMNDHXOQOAS-SNVBAGLBSA-N 2 0 268.788 2.527 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2O1 ZINC000921527424 625978330 /nfs/dbraw/zinc/97/83/30/625978330.db2.gz NBIGSVDKQIWCLO-UKRRQHHQSA-N 2 0 286.419 2.584 20 0 CFADRP C[C@@H](CNCc1cnn(CC2CCC2)c1)C[NH+]1CCCC1 ZINC000921553788 625985489 /nfs/dbraw/zinc/98/54/89/625985489.db2.gz WWMLLHKNLZWTSW-HNNXBMFYSA-N 2 0 290.455 2.505 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000921583505 625991067 /nfs/dbraw/zinc/99/10/67/625991067.db2.gz XBUSAPQZESPCEN-ZBFHGGJFSA-N 2 0 288.435 2.832 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1 ZINC000921620830 625998479 /nfs/dbraw/zinc/99/84/79/625998479.db2.gz VECCBRQPRSEWLI-OAHLLOKOSA-N 2 0 276.424 2.824 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)[C@@H](C)C1 ZINC000921795323 626126074 /nfs/dbraw/zinc/12/60/74/626126074.db2.gz VLRFXSARZGPNOR-VBQJREDUSA-N 2 0 288.435 2.830 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000921967991 626187809 /nfs/dbraw/zinc/18/78/09/626187809.db2.gz KCSDCSHAKLUOJA-ZIAGYGMSSA-N 2 0 254.443 2.512 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000921967987 626187893 /nfs/dbraw/zinc/18/78/93/626187893.db2.gz KCSDCSHAKLUOJA-KGLIPLIRSA-N 2 0 254.443 2.512 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000921978400 626189628 /nfs/dbraw/zinc/18/96/28/626189628.db2.gz IZYWGRODGMKXKF-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@H]1CCC[C@@H]([NH2+]CC2(N(C)C)CCC2)C1 ZINC000922037762 626199794 /nfs/dbraw/zinc/19/97/94/626199794.db2.gz IWTYIPUUTBGLQT-OLZOCXBDSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000922053654 626201730 /nfs/dbraw/zinc/20/17/30/626201730.db2.gz VCHJGYXYLGTWJC-BRWVUGGUSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000922069574 626203639 /nfs/dbraw/zinc/20/36/39/626203639.db2.gz PAGOQAZGXUIQDF-UHFFFAOYSA-N 2 0 288.435 2.968 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000922140045 626215974 /nfs/dbraw/zinc/21/59/74/626215974.db2.gz GURGZDMYANVOFW-LUKYLMHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000922181228 626232747 /nfs/dbraw/zinc/23/27/47/626232747.db2.gz NSLJUGCOVIQNLM-INIZCTEOSA-N 2 0 290.455 2.505 20 0 CFADRP COC[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000929278384 626236986 /nfs/dbraw/zinc/23/69/86/626236986.db2.gz XKRWVXLMLHSLFG-QGZVFWFLSA-N 2 0 282.472 2.713 20 0 CFADRP c1cncc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000929278385 626237207 /nfs/dbraw/zinc/23/72/07/626237207.db2.gz XNTRLVCQZWZHGX-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929282629 626245044 /nfs/dbraw/zinc/24/50/44/626245044.db2.gz LYXFOQQBSGCCRY-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCC1)C2 ZINC000922388106 626282200 /nfs/dbraw/zinc/28/22/00/626282200.db2.gz OIGBOHRVJSQGHN-ZJPYXAASSA-N 2 0 294.483 2.636 20 0 CFADRP Cc1ncoc1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922502073 626299016 /nfs/dbraw/zinc/29/90/16/626299016.db2.gz BBCCTFOQBZRURG-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP Cc1ncc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1C ZINC000922506053 626299387 /nfs/dbraw/zinc/29/93/87/626299387.db2.gz XSUPPCMZULXFKM-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP Cc1c[nH]c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000922506405 626299494 /nfs/dbraw/zinc/29/94/94/626299494.db2.gz ZFCMKTVNSZEHPK-UHFFFAOYSA-N 2 0 276.428 2.605 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cnc3ccccc3c2)CN1C1CC1 ZINC000922704468 626346593 /nfs/dbraw/zinc/34/65/93/626346593.db2.gz SEZWAXSSDOBXKG-YOEHRIQHSA-N 2 0 295.430 2.992 20 0 CFADRP Cc1cnccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922845876 626379766 /nfs/dbraw/zinc/37/97/66/626379766.db2.gz URVFDZFDSSGXCN-UHFFFAOYSA-N 2 0 273.424 2.887 20 0 CFADRP Cn1c(Cl)cnc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922846249 626379779 /nfs/dbraw/zinc/37/97/79/626379779.db2.gz YHUNYRHXZKUVOO-UHFFFAOYSA-N 2 0 296.846 2.570 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C[C@H](C)O1 ZINC000922844877 626380719 /nfs/dbraw/zinc/38/07/19/626380719.db2.gz JEHWWFAQAYASJL-BDYLLLIDSA-N 2 0 280.456 2.939 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cs1 ZINC000226312191 626399086 /nfs/dbraw/zinc/39/90/86/626399086.db2.gz ZNDPXNIIGHDEGH-LSDHHAIUSA-N 2 0 273.405 2.728 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1(C)C ZINC000922896424 626420681 /nfs/dbraw/zinc/42/06/81/626420681.db2.gz NSZCXMZFXQXPFB-HRCADAONSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923301911 626464414 /nfs/dbraw/zinc/46/44/14/626464414.db2.gz ZUOQQRAXYNRPGQ-ZDUSSCGKSA-N 2 0 262.397 2.830 20 0 CFADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923303866 626464417 /nfs/dbraw/zinc/46/44/17/626464417.db2.gz SEFMCBBDZOEKJM-OAHLLOKOSA-N 2 0 294.826 2.540 20 0 CFADRP C[N@H+](Cc1ccccc1-c1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923305529 626464996 /nfs/dbraw/zinc/46/49/96/626464996.db2.gz DISDNNMDRGCTOP-WDSOQIARSA-N 2 0 296.414 2.636 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923308944 626465527 /nfs/dbraw/zinc/46/55/27/626465527.db2.gz KJIUHDXEGWQYOF-KRWDZBQOSA-N 2 0 288.435 2.844 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923309720 626466025 /nfs/dbraw/zinc/46/60/25/626466025.db2.gz NUELGSAZNOSSKL-WMZOPIPTSA-N 2 0 298.430 2.517 20 0 CFADRP C[N@H+](CCC[NH2+]C1CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000923324832 626466804 /nfs/dbraw/zinc/46/68/04/626466804.db2.gz LQUUFEVWOBQNCZ-GOSISDBHSA-N 2 0 287.451 2.729 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923364527 626468713 /nfs/dbraw/zinc/46/87/13/626468713.db2.gz NRDZBADMOINKNN-DOTOQJQBSA-N 2 0 276.399 2.832 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923361116 626469007 /nfs/dbraw/zinc/46/90/07/626469007.db2.gz CXJZPUIJORIOCS-ZACQAIPSSA-N 2 0 282.472 2.639 20 0 CFADRP CC[N@@H+](CCc1nccs1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923371095 626469034 /nfs/dbraw/zinc/46/90/34/626469034.db2.gz OKVCBGVJGMSVEG-GOOCMWNKSA-N 2 0 293.480 2.928 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923375764 626469199 /nfs/dbraw/zinc/46/91/99/626469199.db2.gz DNBWTOLJGRUZPX-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1c(F)cccc1Cl ZINC000923378377 626469254 /nfs/dbraw/zinc/46/92/54/626469254.db2.gz KGKOIZOQRNSWLM-MNOVXSKESA-N 2 0 298.789 2.508 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923383630 626469723 /nfs/dbraw/zinc/46/97/23/626469723.db2.gz LBOIARXGSUFWIG-GUMUBFQMSA-N 2 0 292.467 2.798 20 0 CFADRP CC1(C)CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC(C)(C)C1 ZINC000923390616 626470012 /nfs/dbraw/zinc/47/00/12/626470012.db2.gz JMVYGPKXTYOYKP-AWEZNQCLSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923388293 626470260 /nfs/dbraw/zinc/47/02/60/626470260.db2.gz NOTSPALJACRGTP-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923389460 626470587 /nfs/dbraw/zinc/47/05/87/626470587.db2.gz RDMBMVOUBWWSBU-MSOLQXFVSA-N 2 0 294.483 2.639 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3CCC[NH2+]C2CC2)cc1 ZINC000923397635 626470759 /nfs/dbraw/zinc/47/07/59/626470759.db2.gz NPISCZSFMHJWNC-UHFFFAOYSA-N 2 0 256.393 2.750 20 0 CFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H]1CC1(C)C ZINC000923396945 626470773 /nfs/dbraw/zinc/47/07/73/626470773.db2.gz JFKILLPYAKDBHN-WIGRTHMWSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1nc(CN2C[C@@H](C[NH3+])[C@H](C)C2)sc1C(C)(C)C ZINC000923411580 626471313 /nfs/dbraw/zinc/47/13/13/626471313.db2.gz NQTAUQJMTUYIOK-ZYHUDNBSSA-N 2 0 281.469 2.776 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000923456499 626473658 /nfs/dbraw/zinc/47/36/58/626473658.db2.gz QPPNWXJPCHIDGR-HNNXBMFYSA-N 2 0 294.826 2.670 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000923458907 626473825 /nfs/dbraw/zinc/47/38/25/626473825.db2.gz WLANWAHTJKXYJM-CQSZACIVSA-N 2 0 294.826 2.670 20 0 CFADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cs2)o1 ZINC000923481342 626475941 /nfs/dbraw/zinc/47/59/41/626475941.db2.gz QIDGNSKQZHCCDS-LBPRGKRZSA-N 2 0 291.420 2.882 20 0 CFADRP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480876 626476068 /nfs/dbraw/zinc/47/60/68/626476068.db2.gz LXUJWJGXJTUIQI-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483003 626476187 /nfs/dbraw/zinc/47/61/87/626476187.db2.gz LAZLYNSZASSCNU-VXGBXAGGSA-N 2 0 265.401 2.704 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923482312 626476324 /nfs/dbraw/zinc/47/63/24/626476324.db2.gz DGUOXZOOCGETKH-LLVKDONJSA-N 2 0 268.788 2.519 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1C[NH3+] ZINC000923496068 626476541 /nfs/dbraw/zinc/47/65/41/626476541.db2.gz ZLYKZFCXSLRCPA-CJNGLKHVSA-N 2 0 269.392 2.652 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000923493064 626476701 /nfs/dbraw/zinc/47/67/01/626476701.db2.gz QNXNZYPVKLCMKA-OAHLLOKOSA-N 2 0 284.403 2.889 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923496796 626476712 /nfs/dbraw/zinc/47/67/12/626476712.db2.gz BJSLOYOHKFADRJ-QWHCGFSZSA-N 2 0 287.382 2.791 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502670 626476836 /nfs/dbraw/zinc/47/68/36/626476836.db2.gz DGQHKBQXADZHOI-CHWSQXEVSA-N 2 0 282.815 2.636 20 0 CFADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000923502195 626476864 /nfs/dbraw/zinc/47/68/64/626476864.db2.gz YAZIAXCGENWXOV-CVEARBPZSA-N 2 0 276.424 2.762 20 0 CFADRP C[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@H]1C[NH3+] ZINC000923502197 626477033 /nfs/dbraw/zinc/47/70/33/626477033.db2.gz YAZIAXCGENWXOV-HOTGVXAUSA-N 2 0 276.424 2.762 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497369 626477141 /nfs/dbraw/zinc/47/71/41/626477141.db2.gz LGZWEMVYPPKLLY-IJLUTSLNSA-N 2 0 268.351 2.943 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000923501180 626477551 /nfs/dbraw/zinc/47/75/51/626477551.db2.gz ZNBCVZAZSIDRNF-ZBFHGGJFSA-N 2 0 276.424 2.545 20 0 CFADRP CCSCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504478 626477597 /nfs/dbraw/zinc/47/75/97/626477597.db2.gz YQWAHQVLCICCIV-AWEZNQCLSA-N 2 0 270.486 2.841 20 0 CFADRP CCc1nocc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507137 626477893 /nfs/dbraw/zinc/47/78/93/626477893.db2.gz MZTDFYKAMYKUSN-AWEZNQCLSA-N 2 0 291.439 2.839 20 0 CFADRP CCc1nocc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507139 626477935 /nfs/dbraw/zinc/47/79/35/626477935.db2.gz MZTDFYKAMYKUSN-CQSZACIVSA-N 2 0 291.439 2.839 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923520728 626478347 /nfs/dbraw/zinc/47/83/47/626478347.db2.gz VKNLAWNWQIHRMO-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP c1ccc2c(c1)cccc2C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518972 626478353 /nfs/dbraw/zinc/47/83/53/626478353.db2.gz NNNQVEGLKFTLLJ-DOTOQJQBSA-N 2 0 266.388 2.881 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923519299 626478448 /nfs/dbraw/zinc/47/84/48/626478448.db2.gz LINWSARMDYVGCJ-QWHCGFSZSA-N 2 0 284.325 2.747 20 0 CFADRP CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000923526926 626478554 /nfs/dbraw/zinc/47/85/54/626478554.db2.gz WCLQZPGWQROEOD-GOEBONIOSA-N 2 0 258.409 2.864 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](CCCCCC[NH3+])C2)n1 ZINC000923551160 626479624 /nfs/dbraw/zinc/47/96/24/626479624.db2.gz JYIFWAWZKNNYCF-CQSZACIVSA-N 2 0 281.469 2.835 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838872855 626512514 /nfs/dbraw/zinc/51/25/14/626512514.db2.gz QDUIERHPVHCENO-YJBOKZPZSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]C2CC3(CCC3)C2)C[C@H](C)O1 ZINC000838917353 626513745 /nfs/dbraw/zinc/51/37/45/626513745.db2.gz MOQUUVDDSKXOES-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000838895318 626514564 /nfs/dbraw/zinc/51/45/64/626514564.db2.gz PJRBQYPDEFTHTP-OAHLLOKOSA-N 2 0 298.471 2.820 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000839093668 626524289 /nfs/dbraw/zinc/52/42/89/626524289.db2.gz VKQXIEDUUUUCCP-YIONKMFJSA-N 2 0 296.455 2.523 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccn2)cc1 ZINC000757891303 626566761 /nfs/dbraw/zinc/56/67/61/626566761.db2.gz YYBLCSFVVXIMKJ-UHFFFAOYSA-N 2 0 269.392 2.775 20 0 CFADRP CC[N@@H+](CCc1ccccn1)CC[C@@H]1CCCC[NH+]1C ZINC000760817752 626774340 /nfs/dbraw/zinc/77/43/40/626774340.db2.gz NBXFZWBFSZTVKS-KRWDZBQOSA-N 2 0 275.440 2.820 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCCN(CC[NH+]3CCCC3)C2)CC1 ZINC000760820279 626774998 /nfs/dbraw/zinc/77/49/98/626774998.db2.gz LOFMHCODPSMGLJ-GOSISDBHSA-N 2 0 293.499 2.526 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765250084 627126387 /nfs/dbraw/zinc/12/63/87/627126387.db2.gz BAVGPXBRIHDSIM-SJLPKXTDSA-N 2 0 290.451 2.708 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765254483 627126501 /nfs/dbraw/zinc/12/65/01/627126501.db2.gz MZCRHURVUKYORC-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+]C2CCCC2)cc1 ZINC000765798234 627158583 /nfs/dbraw/zinc/15/85/83/627158583.db2.gz GXHHWXKPNPMJKT-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP FCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766994425 627230258 /nfs/dbraw/zinc/23/02/58/627230258.db2.gz XVWUQJRQHIUAOK-SJORKVTESA-N 2 0 276.399 2.942 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000768688426 627364411 /nfs/dbraw/zinc/36/44/11/627364411.db2.gz AJCLRCYNXPVHCH-UHFFFAOYSA-N 2 0 260.372 2.742 20 0 CFADRP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000771897917 627645467 /nfs/dbraw/zinc/64/54/67/627645467.db2.gz XSLHGSXMJMCMCH-UHFFFAOYSA-N 2 0 271.364 2.681 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000773010452 627768455 /nfs/dbraw/zinc/76/84/55/627768455.db2.gz LHZGEXWVROKDBB-RCBQFDQVSA-N 2 0 296.842 2.693 20 0 CFADRP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000774108825 627888814 /nfs/dbraw/zinc/88/88/14/627888814.db2.gz ISGSRJNUDFGAPA-UYTSQGDYSA-N 2 0 293.480 2.566 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)[C@H]1CC[C@@H](OC)C1 ZINC000851985064 634616332 /nfs/dbraw/zinc/61/63/32/634616332.db2.gz IIFYOCOYOLYVFA-LSDHHAIUSA-N 2 0 279.428 2.725 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776170046 628110601 /nfs/dbraw/zinc/11/06/01/628110601.db2.gz YDRNTIFCGNUDKG-GFCCVEGCSA-N 2 0 256.459 2.758 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000779340973 628375316 /nfs/dbraw/zinc/37/53/16/628375316.db2.gz LJQZLJJGLUKFSN-JKSUJKDBSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000779342394 628375526 /nfs/dbraw/zinc/37/55/26/628375526.db2.gz RJDKZVBYVJAHBY-HZPDHXFCSA-N 2 0 290.451 2.779 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780287641 628451292 /nfs/dbraw/zinc/45/12/92/628451292.db2.gz SJTVYUSKLPCCOF-GOEBONIOSA-N 2 0 258.409 2.600 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000782182507 628611316 /nfs/dbraw/zinc/61/13/16/628611316.db2.gz COGKGGBWYGEWDX-QGZVFWFLSA-N 2 0 258.409 2.948 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000783222046 628687888 /nfs/dbraw/zinc/68/78/88/628687888.db2.gz FOBBIICCGHPFFA-RKVPGOIHSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)C[C@@H](c2ccccc2)O1 ZINC000788479629 629073066 /nfs/dbraw/zinc/07/30/66/629073066.db2.gz XRZZQOWXKAJOIX-YJBOKZPZSA-N 2 0 288.435 2.790 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000797063155 630011952 /nfs/dbraw/zinc/01/19/52/630011952.db2.gz RNNVSJYHOMYVAQ-MAUKXSAKSA-N 2 0 290.451 2.879 20 0 CFADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797066976 630012065 /nfs/dbraw/zinc/01/20/65/630012065.db2.gz WHBORIIGHAHNKP-HDMKZQKVSA-N 2 0 290.451 2.737 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000799176832 630283320 /nfs/dbraw/zinc/28/33/20/630283320.db2.gz GEUKNAHRQALYHA-GFCCVEGCSA-N 2 0 291.266 2.988 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000799177031 630284229 /nfs/dbraw/zinc/28/42/29/630284229.db2.gz IJMCJJNBICFKMA-OAHLLOKOSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)C ZINC000802636252 630533891 /nfs/dbraw/zinc/53/38/91/630533891.db2.gz BCHHBSBMQRHCOM-AWEZNQCLSA-N 2 0 261.413 2.886 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000852747983 634821977 /nfs/dbraw/zinc/82/19/77/634821977.db2.gz FHJNJBDQKCZREY-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)n1 ZINC000852750266 634824042 /nfs/dbraw/zinc/82/40/42/634824042.db2.gz XSKZHMYXWSXSII-KBPBESRZSA-N 2 0 293.842 2.865 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)OCCC[NH+]1CCCCC1 ZINC000803859699 630649292 /nfs/dbraw/zinc/64/92/92/630649292.db2.gz UMLHEXVTQTWMLY-MRXNPFEDSA-N 2 0 296.455 2.670 20 0 CFADRP Cn1c2cc(Cl)ccc2nc1C[NH2+]CCCCCC[NH3+] ZINC000843127774 630806030 /nfs/dbraw/zinc/80/60/30/630806030.db2.gz QQYBEEVJUDMBNW-UHFFFAOYSA-N 2 0 294.830 2.835 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC000841006124 631302715 /nfs/dbraw/zinc/30/27/15/631302715.db2.gz BGUIVJVSBHXZSK-KYOSRNDESA-N 2 0 263.385 2.508 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cnc1Cl ZINC000841030162 631311052 /nfs/dbraw/zinc/31/10/52/631311052.db2.gz KUFMWZMUDNNWKN-OLZOCXBDSA-N 2 0 267.804 2.651 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000841031902 631311529 /nfs/dbraw/zinc/31/15/29/631311529.db2.gz AUGLOCFJBPPAAH-UHFFFAOYSA-N 2 0 276.330 2.756 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032135 631312245 /nfs/dbraw/zinc/31/22/45/631312245.db2.gz MLPRQYJIXXXPLE-XQRVVYSFSA-N 2 0 296.414 2.999 20 0 CFADRP C[C@]1(C[NH2+]Cc2cncc3ccccc32)CCC[NH2+]C1 ZINC000841056111 631323466 /nfs/dbraw/zinc/32/34/66/631323466.db2.gz BTRJXFFMFDTRID-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP COc1c(C)cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000841056131 631324221 /nfs/dbraw/zinc/32/42/21/631324221.db2.gz CNRCUPXBYZYVNF-KRWDZBQOSA-N 2 0 276.424 2.791 20 0 CFADRP C[C@]1(C[NH2+]Cc2cnc3ccccc3c2)CCC[NH2+]C1 ZINC000841056931 631324614 /nfs/dbraw/zinc/32/46/14/631324614.db2.gz KBQJJFMOIWGANC-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000841060682 631325662 /nfs/dbraw/zinc/32/56/62/631325662.db2.gz AUYZPXOAEXMGPK-UKRRQHHQSA-N 2 0 262.397 2.542 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1C ZINC000841060680 631326275 /nfs/dbraw/zinc/32/62/75/631326275.db2.gz AUYZPXOAEXMGPK-DZGCQCFKSA-N 2 0 262.397 2.542 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(C(C)(C)O)cc1)C1CC1 ZINC000842215726 631566692 /nfs/dbraw/zinc/56/66/92/631566692.db2.gz YLDZGJCMDLXISV-UHFFFAOYSA-N 2 0 290.451 2.878 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000842471648 631639058 /nfs/dbraw/zinc/63/90/58/631639058.db2.gz OQNBSROGRLQCGM-HNNXBMFYSA-N 2 0 292.423 2.667 20 0 CFADRP [NH3+]CCCCCCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000842472685 631639754 /nfs/dbraw/zinc/63/97/54/631639754.db2.gz HWCFRBCDRSOJPT-SFHVURJKSA-N 2 0 290.451 2.877 20 0 CFADRP c1csc(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000842474271 631640416 /nfs/dbraw/zinc/64/04/16/631640416.db2.gz LVELOCHVRLHZBK-ZFWWWQNUSA-N 2 0 264.438 2.755 20 0 CFADRP Cc1cnc(CC[N@H+](C)CCCCCCC[NH3+])s1 ZINC000842476542 631642287 /nfs/dbraw/zinc/64/22/87/631642287.db2.gz QUOZKWLZNLSBNF-UHFFFAOYSA-N 2 0 269.458 2.835 20 0 CFADRP [NH3+]CCCCCCCN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000842478562 631642297 /nfs/dbraw/zinc/64/22/97/631642297.db2.gz KVFVPGSHQCXOKP-KRWDZBQOSA-N 2 0 275.440 2.542 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000842923648 631783204 /nfs/dbraw/zinc/78/32/04/631783204.db2.gz IXPDMGPWTAGCON-SIXLDLHFSA-N 2 0 258.409 2.720 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852611 631797715 /nfs/dbraw/zinc/79/77/15/631797715.db2.gz HWNJYIYQUZWXFX-RYQLBKOJSA-N 2 0 290.451 2.915 20 0 CFADRP COc1ccccc1/C=C\C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055555 631819098 /nfs/dbraw/zinc/81/90/98/631819098.db2.gz HBVXLTOEUYQIQQ-ALCCZGGFSA-N 2 0 274.408 2.910 20 0 CFADRP Cc1ccc(N2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843059252 631821952 /nfs/dbraw/zinc/82/19/52/631821952.db2.gz IDVBHBWDZAOCPU-KRWDZBQOSA-N 2 0 287.451 2.507 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000843104084 631835498 /nfs/dbraw/zinc/83/54/98/631835498.db2.gz GCNOXLMBEACISY-UHFFFAOYSA-N 2 0 274.408 2.835 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000843107552 631837620 /nfs/dbraw/zinc/83/76/20/631837620.db2.gz ROPIKEVZBWXTTD-UHFFFAOYSA-N 2 0 284.350 2.690 20 0 CFADRP CC(C)c1ncc(C[NH2+]CCCCCC[NH3+])s1 ZINC000843126521 631845424 /nfs/dbraw/zinc/84/54/24/631845424.db2.gz HYSVMHVWCRKDIC-UHFFFAOYSA-N 2 0 255.431 2.875 20 0 CFADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCCCC[NH3+] ZINC000843127049 631846689 /nfs/dbraw/zinc/84/66/89/631846689.db2.gz MJQJUCKHDGRPNC-CYBMUJFWSA-N 2 0 295.402 2.652 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc12 ZINC000843127948 631847776 /nfs/dbraw/zinc/84/77/76/631847776.db2.gz USEGKKVDYOMKNY-RDJZCZTQSA-N 2 0 298.434 2.775 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1COC2 ZINC000843128362 631847789 /nfs/dbraw/zinc/84/77/89/631847789.db2.gz WXYOVUNPTPJYRJ-INIZCTEOSA-N 2 0 286.419 2.538 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCCCC[NH3+])c1 ZINC000843128595 631848253 /nfs/dbraw/zinc/84/82/53/631848253.db2.gz YBNRBENERWPYIF-UHFFFAOYSA-N 2 0 286.423 2.994 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CCCCCC[NH3+] ZINC000843129110 631849339 /nfs/dbraw/zinc/84/93/39/631849339.db2.gz RENHUJDJBFWTGV-UHFFFAOYSA-N 2 0 270.804 2.957 20 0 CFADRP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCCCC[NH3+] ZINC000843341514 631931262 /nfs/dbraw/zinc/93/12/62/631931262.db2.gz GPGJXGBDLHQQIK-HNNXBMFYSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1nc2ccccc2n1C ZINC000843340665 631931389 /nfs/dbraw/zinc/93/13/89/631931389.db2.gz DEHUGNNHZVSEQS-ZDUSSCGKSA-N 2 0 274.412 2.743 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843341200 631931533 /nfs/dbraw/zinc/93/15/33/631931533.db2.gz HJGQQJBVHWRVJW-GJZGRUSLSA-N 2 0 278.444 2.555 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCCCC[NH3+])CC2 ZINC000843342633 631932432 /nfs/dbraw/zinc/93/24/32/631932432.db2.gz NTNOCJQVSXSUMZ-INIZCTEOSA-N 2 0 262.397 2.791 20 0 CFADRP CCCCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354203 631936136 /nfs/dbraw/zinc/93/61/36/631936136.db2.gz XSABGASHDQIFHQ-FHERZECASA-N 2 0 297.487 2.663 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843387705 631942323 /nfs/dbraw/zinc/94/23/23/631942323.db2.gz IBFKUAQHEANLCL-IRXDYDNUSA-N 2 0 288.435 2.695 20 0 CFADRP C[C@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)C[NH+](C)C ZINC000813877464 631971539 /nfs/dbraw/zinc/97/15/39/631971539.db2.gz WOIRXFHSKNJAFO-CRAIPNDOSA-N 2 0 290.451 2.942 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)CCCC[NH+]1CCCC1 ZINC000844162879 632130848 /nfs/dbraw/zinc/13/08/48/632130848.db2.gz LFHVQWJDAXPAHV-UHFFFAOYSA-N 2 0 289.423 2.611 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCCC[NH3+])[C@H](C)C1 ZINC000844220751 632136104 /nfs/dbraw/zinc/13/61/04/632136104.db2.gz AKIHHUFWMMUHIR-HZPDHXFCSA-N 3 0 269.477 2.558 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn(C)c1Cl ZINC000815115540 632204868 /nfs/dbraw/zinc/20/48/68/632204868.db2.gz IJPZDMOTVSIGJH-CYBMUJFWSA-N 2 0 298.862 2.818 20 0 CFADRP Cn1ncc(C[NH2+]CCCCCCC[NH+](C)C)c1Cl ZINC000815119119 632205689 /nfs/dbraw/zinc/20/56/89/632205689.db2.gz POFNICVBWJCKGN-UHFFFAOYSA-N 2 0 286.851 2.675 20 0 CFADRP CC[NH+](CC)CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446389 632276579 /nfs/dbraw/zinc/27/65/79/632276579.db2.gz UYQPLPUIEURNKW-MRXNPFEDSA-N 2 0 296.455 2.669 20 0 CFADRP Cc1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000844904100 632332107 /nfs/dbraw/zinc/33/21/07/632332107.db2.gz AYGMYSDUMZQESG-UHFFFAOYSA-N 2 0 279.384 2.648 20 0 CFADRP C[C@]1(CC[NH2+]C2CCC(C[NH3+])CC2)C[C@@]1(F)Cl ZINC000844923621 632337982 /nfs/dbraw/zinc/33/79/82/632337982.db2.gz MKDBNFBUPFYIPY-TYUFSLCMSA-N 2 0 262.800 2.798 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[C@]1(F)Cl ZINC000844922397 632337091 /nfs/dbraw/zinc/33/70/91/632337091.db2.gz DLIYAHBQUXZHJD-FVCCEPFGSA-N 2 0 262.800 2.941 20 0 CFADRP CC[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)[C@@H]1CCC[NH2+]1 ZINC000844926642 632339756 /nfs/dbraw/zinc/33/97/56/632339756.db2.gz ZYGPMADTNWDNQL-WUHRBBMRSA-N 2 0 262.800 2.811 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000846037164 632619726 /nfs/dbraw/zinc/61/97/26/632619726.db2.gz YZMKCKMNDWZEKU-OLZOCXBDSA-N 2 0 262.800 2.765 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000846042780 632622701 /nfs/dbraw/zinc/62/27/01/632622701.db2.gz PNWDSVAJZGBQHG-GOSISDBHSA-N 2 0 294.483 2.902 20 0 CFADRP [NH3+]CCCCCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000846219501 632665832 /nfs/dbraw/zinc/66/58/32/632665832.db2.gz SBLRGIMVSYBIPI-GOSISDBHSA-N 2 0 290.451 2.839 20 0 CFADRP C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCCCC[NH3+] ZINC000846220639 632666590 /nfs/dbraw/zinc/66/65/90/632666590.db2.gz SQXISKXMOHOHNR-HNNXBMFYSA-N 2 0 275.440 2.846 20 0 CFADRP CCCCCC[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846222898 632667508 /nfs/dbraw/zinc/66/75/08/632667508.db2.gz MKWSLZORYXECHM-ARFHVFGLSA-N 2 0 268.445 2.785 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(c2ccncc2)CC1 ZINC000846220703 632667528 /nfs/dbraw/zinc/66/75/28/632667528.db2.gz MUADUUBDRSBOPW-UHFFFAOYSA-N 2 0 261.413 2.780 20 0 CFADRP COc1ccccc1C1([NH2+]CCCCCC[NH3+])CC1 ZINC000846224519 632668433 /nfs/dbraw/zinc/66/84/33/632668433.db2.gz ZFAFNLDNMZRSSL-UHFFFAOYSA-N 2 0 262.397 2.793 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCc2cccs2)C1 ZINC000846226730 632668776 /nfs/dbraw/zinc/66/87/76/632668776.db2.gz AVWHKHTWCNPXOY-VNQPRFMTSA-N 2 0 294.464 2.651 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000817889142 632718815 /nfs/dbraw/zinc/71/88/15/632718815.db2.gz MRXDEPBQBQYLBL-XOKHGSTOSA-N 2 0 294.414 2.760 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc3C2)c2ccccc21 ZINC000817891230 632718910 /nfs/dbraw/zinc/71/89/10/632718910.db2.gz IMYFMFHCQVKDBC-XWIAVFTESA-N 2 0 294.398 2.972 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000817894383 632719521 /nfs/dbraw/zinc/71/95/21/632719521.db2.gz NBVBLVPVLXJLAB-GRDNDAEWSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817892799 632719832 /nfs/dbraw/zinc/71/98/32/632719832.db2.gz PSNLAMUKBFNPFO-HRCADAONSA-N 2 0 270.461 2.935 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817897583 632722113 /nfs/dbraw/zinc/72/21/13/632722113.db2.gz SOERENCHNKJBRI-DOMZBBRYSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000817899184 632722911 /nfs/dbraw/zinc/72/29/11/632722911.db2.gz DUGLAKPQFBSAPA-RDHHWEPZSA-N 3 0 279.472 2.514 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCNc1ccccc1 ZINC000817899963 632724649 /nfs/dbraw/zinc/72/46/49/632724649.db2.gz IZAUDGNDBAMENL-ZDUSSCGKSA-N 2 0 284.407 2.611 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817902420 632725014 /nfs/dbraw/zinc/72/50/14/632725014.db2.gz QHMRBUIJUCARTQ-ZBFHGGJFSA-N 2 0 275.440 2.620 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902415 632725336 /nfs/dbraw/zinc/72/53/36/632725336.db2.gz QFBCTXKHMOGTEC-STQMWFEESA-N 2 0 267.804 2.527 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000817904554 632727182 /nfs/dbraw/zinc/72/71/82/632727182.db2.gz CWEUYQBKWMYNGW-IGJMFERPSA-N 2 0 291.222 2.742 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904945 632727987 /nfs/dbraw/zinc/72/79/87/632727987.db2.gz IIZZREWDKIHERV-NIKGAXFTSA-N 2 0 298.430 2.851 20 0 CFADRP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904954 632728352 /nfs/dbraw/zinc/72/83/52/632728352.db2.gz IKCUPOZSERCGGT-ZJOIDMRUSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904943 632728457 /nfs/dbraw/zinc/72/84/57/632728457.db2.gz IIZZREWDKIHERV-CCKFTAQKSA-N 2 0 298.430 2.851 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817912371 632730806 /nfs/dbraw/zinc/73/08/06/632730806.db2.gz IJLSDXFCZATDKR-DGAVXFQQSA-N 2 0 282.453 2.538 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000817912283 632731216 /nfs/dbraw/zinc/73/12/16/632731216.db2.gz FYKXNESGPCSEMB-NJAFHUGGSA-N 2 0 290.451 2.795 20 0 CFADRP Cc1ncc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000817915525 632732156 /nfs/dbraw/zinc/73/21/56/632732156.db2.gz NRXQUTQMLORAOY-OCCSQVGLSA-N 2 0 281.469 2.894 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccs1 ZINC000817914756 632732210 /nfs/dbraw/zinc/73/22/10/632732210.db2.gz YUWFFIJQRVOFGC-LZWOXQAQSA-N 2 0 288.416 2.690 20 0 CFADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000817914190 632732394 /nfs/dbraw/zinc/73/23/94/632732394.db2.gz SUBSLMMXNCWIFW-DLBZAZTESA-N 3 0 281.488 2.763 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914654 632732452 /nfs/dbraw/zinc/73/24/52/632732452.db2.gz WZONVJJUWKRHCX-SJORKVTESA-N 3 0 281.488 2.750 20 0 CFADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000817914221 632732461 /nfs/dbraw/zinc/73/24/61/632732461.db2.gz SUBSLMMXNCWIFW-IAGOWNOFSA-N 3 0 281.488 2.763 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H](O)c1c(F)cccc1Cl ZINC000817918193 632732958 /nfs/dbraw/zinc/73/29/58/632732958.db2.gz JVWSGGQYNIMPNE-LFNDISMMSA-N 2 0 288.794 2.616 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817917203 632733576 /nfs/dbraw/zinc/73/35/76/632733576.db2.gz MYSMMSWALXFJTK-GOEBONIOSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000817922827 632735952 /nfs/dbraw/zinc/73/59/52/632735952.db2.gz MSFTUBHCVCQHAD-RCBQFDQVSA-N 2 0 296.842 2.655 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000817927001 632737671 /nfs/dbraw/zinc/73/76/71/632737671.db2.gz XMZVTXOOXLCUNX-NXHRZFHOSA-N 2 0 290.451 2.929 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817926796 632737893 /nfs/dbraw/zinc/73/78/93/632737893.db2.gz VXJZFPLZSAPFAH-YESZJQIVSA-N 2 0 286.350 2.594 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H](O)c1ccccc1 ZINC000817927626 632738742 /nfs/dbraw/zinc/73/87/42/632738742.db2.gz NMUQUTVLPAMFOE-PVAVHDDUSA-N 2 0 278.440 2.852 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](O)c1ccccc1 ZINC000817927524 632738870 /nfs/dbraw/zinc/73/88/70/632738870.db2.gz NMUQUTVLPAMFOE-HYVNUMGLSA-N 2 0 278.440 2.852 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817935580 632741981 /nfs/dbraw/zinc/74/19/81/632741981.db2.gz JAXVBBUNZJRQLB-MRXNPFEDSA-N 2 0 274.408 2.804 20 0 CFADRP COc1c(C)cc([C@@H](C)[NH2+]CCC[NH3+])cc1Cl ZINC000817938804 632743291 /nfs/dbraw/zinc/74/32/91/632743291.db2.gz SPKOMHCKMLHLQE-SNVBAGLBSA-N 2 0 256.777 2.656 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817940055 632744154 /nfs/dbraw/zinc/74/41/54/632744154.db2.gz KRJCQMIADNHAON-INIZCTEOSA-N 2 0 274.408 2.662 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000817942097 632744877 /nfs/dbraw/zinc/74/48/77/632744877.db2.gz XQDRVLZYZKEVEH-LLVKDONJSA-N 2 0 270.804 2.917 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946511 632748181 /nfs/dbraw/zinc/74/81/81/632748181.db2.gz YMWQPKWRGRBTCH-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817946096 632748591 /nfs/dbraw/zinc/74/85/91/632748591.db2.gz RJAJQVXSFQTOOH-XJKSGUPXSA-N 2 0 274.408 2.662 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817946092 632748732 /nfs/dbraw/zinc/74/87/32/632748732.db2.gz RJAJQVXSFQTOOH-BBRMVZONSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccnc1Cl ZINC000817946968 632749265 /nfs/dbraw/zinc/74/92/65/632749265.db2.gz IVYIVEMEAXTMOH-WHXUTIOJSA-N 2 0 253.777 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cnn(-c2ccccc2)c1 ZINC000817947817 632749792 /nfs/dbraw/zinc/74/97/92/632749792.db2.gz RXUPDIWCMPERTQ-JYJNAYRXSA-N 2 0 298.434 2.911 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C12CCC2 ZINC000817950236 632750314 /nfs/dbraw/zinc/75/03/14/632750314.db2.gz WWGYAYULAMNOAU-DLBZAZTESA-N 2 0 288.435 2.625 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C12CCC2 ZINC000817950239 632750621 /nfs/dbraw/zinc/75/06/21/632750621.db2.gz WWGYAYULAMNOAU-SJORKVTESA-N 2 0 288.435 2.625 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cn1 ZINC000817948945 632750725 /nfs/dbraw/zinc/75/07/25/632750725.db2.gz MOWPKNYPPLFJKS-CQSZACIVSA-N 2 0 286.423 2.816 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1C ZINC000817954091 632754072 /nfs/dbraw/zinc/75/40/72/632754072.db2.gz BKTUZZHNCDBCBZ-LSDHHAIUSA-N 2 0 276.424 2.962 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1C ZINC000817962189 632761656 /nfs/dbraw/zinc/76/16/56/632761656.db2.gz IFDPLHONTOSVCC-ZWNOBZJWSA-N 2 0 250.386 2.557 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817967690 632766263 /nfs/dbraw/zinc/76/62/63/632766263.db2.gz BAEFMVMJKUGISI-GXTWGEPZSA-N 2 0 250.361 2.927 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC[NH2+]CC1 ZINC000817971097 632771225 /nfs/dbraw/zinc/77/12/25/632771225.db2.gz ALYPALUSKHOIEL-YESZJQIVSA-N 2 0 294.483 2.951 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000817971698 632771409 /nfs/dbraw/zinc/77/14/09/632771409.db2.gz PECYEGHJNFNBHN-VBNZEHGJSA-N 2 0 274.408 2.660 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CSC(C)(C)C)CC[NH2+]CC1 ZINC000817973650 632773144 /nfs/dbraw/zinc/77/31/44/632773144.db2.gz FXJAYEPUTGZAMD-ZDUSSCGKSA-N 2 0 288.501 2.512 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000818334260 632831002 /nfs/dbraw/zinc/83/10/02/632831002.db2.gz LHQXZGAGFWJMIR-VHSXEESVSA-N 2 0 265.228 2.548 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)COC3)CC[NH2+]CC2 ZINC000818339895 632832255 /nfs/dbraw/zinc/83/22/55/632832255.db2.gz GWZDSODPOGQVRF-AWEZNQCLSA-N 2 0 286.419 2.681 20 0 CFADRP CCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000818963097 632916714 /nfs/dbraw/zinc/91/67/14/632916714.db2.gz GIHMWZWTCLVYSE-JYJNAYRXSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000818968642 632917303 /nfs/dbraw/zinc/91/73/03/632917303.db2.gz DHEYBJKSNCSKBV-WMLDXEAASA-N 2 0 294.414 2.571 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000818967582 632917455 /nfs/dbraw/zinc/91/74/55/632917455.db2.gz WJPZNFUGEHWPSA-WMZOPIPTSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000818970651 632918453 /nfs/dbraw/zinc/91/84/53/632918453.db2.gz XNFBVGLJWGZLKX-WMLDXEAASA-N 2 0 294.414 2.571 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000818974410 632919554 /nfs/dbraw/zinc/91/95/54/632919554.db2.gz NFJCZFLHUUKMOL-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000818984302 632921851 /nfs/dbraw/zinc/92/18/51/632921851.db2.gz DKLKCGOUWRDGGV-AEFFLSMTSA-N 2 0 290.451 2.738 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819043688 632939904 /nfs/dbraw/zinc/93/99/04/632939904.db2.gz UDSNTVVMDAYUDM-KRWDZBQOSA-N 2 0 294.414 2.713 20 0 CFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000819050381 632943520 /nfs/dbraw/zinc/94/35/20/632943520.db2.gz SXLIJZLVHKARMR-GOSISDBHSA-N 2 0 290.451 2.966 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000819083001 632958760 /nfs/dbraw/zinc/95/87/60/632958760.db2.gz UCMDMBMMQMOIOA-IAGOWNOFSA-N 2 0 292.467 2.984 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000819105471 632966698 /nfs/dbraw/zinc/96/66/98/632966698.db2.gz MQVGDUAWBSOLPU-GMBSWORKSA-N 2 0 298.430 2.946 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000819231518 633029934 /nfs/dbraw/zinc/02/99/34/633029934.db2.gz XOZNCUPQTITMJB-WMZOPIPTSA-N 2 0 290.451 2.883 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000819231551 633030448 /nfs/dbraw/zinc/03/04/48/633030448.db2.gz YCXQZAQBCIQTMN-SJLPKXTDSA-N 2 0 290.451 2.883 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000819268852 633046776 /nfs/dbraw/zinc/04/67/76/633046776.db2.gz XFWRHVZHGGUZAR-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000819360675 633110482 /nfs/dbraw/zinc/11/04/82/633110482.db2.gz LLWUWODPEZLUOJ-SFHVURJKSA-N 2 0 295.386 2.774 20 0 CFADRP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000819363764 633112194 /nfs/dbraw/zinc/11/21/94/633112194.db2.gz ZNCTYGCLAMRLKS-QGZVFWFLSA-N 2 0 294.414 2.632 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc(Cl)n1C ZINC000848529049 633278174 /nfs/dbraw/zinc/27/81/74/633278174.db2.gz SAZKGSIOAYWHKU-ZDUSSCGKSA-N 2 0 298.862 2.818 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848531876 633279229 /nfs/dbraw/zinc/27/92/29/633279229.db2.gz VHLIOPUBMKTHLV-UHFFFAOYSA-N 2 0 292.471 2.821 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848557958 633288671 /nfs/dbraw/zinc/28/86/71/633288671.db2.gz MAUWARBDMZXLKI-UPJWGTAASA-N 2 0 258.475 2.836 20 0 CFADRP COc1cccc2cc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)oc21 ZINC000848563114 633289846 /nfs/dbraw/zinc/28/98/46/633289846.db2.gz OUYGLXWMWWTXAH-XBXGTLAGSA-N 2 0 288.391 2.871 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848718303 633323913 /nfs/dbraw/zinc/32/39/13/633323913.db2.gz IBBOTQNVIQXSQO-GJZGRUSLSA-N 2 0 262.397 2.623 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1(Cl)Cl ZINC000848721304 633324450 /nfs/dbraw/zinc/32/44/50/633324450.db2.gz ZZSJOSIFEBNQLN-VWYCJHECSA-N 2 0 265.228 2.820 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857252799 635957288 /nfs/dbraw/zinc/95/72/88/635957288.db2.gz DJCYXNOBDHUOCE-GARJFASQSA-N 2 0 265.228 2.677 20 0 CFADRP CC(C)c1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000848907390 633393699 /nfs/dbraw/zinc/39/36/99/633393699.db2.gz NDICZUPKYNEUFL-IYBDPMFKSA-N 2 0 258.409 2.803 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+](CC)CC)cc1 ZINC000848982879 633415549 /nfs/dbraw/zinc/41/55/49/633415549.db2.gz BQXALCSXMKZSFJ-CQSZACIVSA-N 2 0 290.455 2.941 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCCC[NH2+]C(C)(C)C)cc1 ZINC000848994057 633421842 /nfs/dbraw/zinc/42/18/42/633421842.db2.gz LEDFTGBTYUXVQO-UHFFFAOYSA-N 2 0 276.428 2.963 20 0 CFADRP CC[NH+]1CCC(CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000848996207 633451254 /nfs/dbraw/zinc/45/12/54/633451254.db2.gz NHCDJVZDPOGFKG-UHFFFAOYSA-N 2 0 288.439 2.972 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000848996420 633451871 /nfs/dbraw/zinc/45/18/71/633451871.db2.gz RZSSRORPNLGQDS-AWEZNQCLSA-N 2 0 280.460 2.553 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000848996421 633452184 /nfs/dbraw/zinc/45/21/84/633452184.db2.gz RZSSRORPNLGQDS-CQSZACIVSA-N 2 0 280.460 2.553 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000849003197 633455342 /nfs/dbraw/zinc/45/53/42/633455342.db2.gz UTVRLSJRJMNISH-HUUCEWRRSA-N 2 0 290.455 2.809 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)c1 ZINC000849016569 633462604 /nfs/dbraw/zinc/46/26/04/633462604.db2.gz SCJDDZXJMUWIHT-UHFFFAOYSA-N 2 0 274.412 2.663 20 0 CFADRP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849026328 633467347 /nfs/dbraw/zinc/46/73/47/633467347.db2.gz UVZSHNREWVTCAU-HNNXBMFYSA-N 2 0 280.460 2.553 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+](C)C ZINC000849030021 633469778 /nfs/dbraw/zinc/46/97/78/633469778.db2.gz DGQGAUIHNZARFT-ZIAGYGMSSA-N 2 0 270.465 2.513 20 0 CFADRP [NH2+]=C(NCCCCC[NH+]1CCCC1)Nc1ccccc1 ZINC000849033667 633472741 /nfs/dbraw/zinc/47/27/41/633472741.db2.gz UXZYPPVUGGEWHO-UHFFFAOYSA-N 2 0 274.412 2.889 20 0 CFADRP CC(C)CNC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849108245 633486292 /nfs/dbraw/zinc/48/62/92/633486292.db2.gz NGCWBZBUHFVVJA-UHFFFAOYSA-N 2 0 294.487 2.803 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000849350328 633626279 /nfs/dbraw/zinc/62/62/79/633626279.db2.gz XUEGBTDKQCVVKI-WDEREUQCSA-N 2 0 264.335 2.969 20 0 CFADRP Cc1ncc(C[NH2+]CCCCCCC[NH+]2CCCC2)n1C ZINC000850119695 633847507 /nfs/dbraw/zinc/84/75/07/633847507.db2.gz QTHYQXXXKUNDGI-UHFFFAOYSA-N 2 0 292.471 2.864 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000850179475 633875203 /nfs/dbraw/zinc/87/52/03/633875203.db2.gz ZYUFWNXNPKMOLV-XGHPGWEVSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850266664 633919109 /nfs/dbraw/zinc/91/91/09/633919109.db2.gz HBYSPTRUEXIYHR-STQMWFEESA-N 2 0 256.353 2.546 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000111453419 635051792 /nfs/dbraw/zinc/05/17/92/635051792.db2.gz VJCVKKNSKRXOLB-ZFWWWQNUSA-N 2 0 264.438 2.755 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000854221372 635261860 /nfs/dbraw/zinc/26/18/60/635261860.db2.gz LBJMJACXVJSOOC-WBAXXEDZSA-N 2 0 284.403 2.590 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000854230835 635266459 /nfs/dbraw/zinc/26/64/59/635266459.db2.gz ZWFLIFUJARGRGD-CMPLNLGQSA-N 2 0 255.793 2.759 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253239 635953507 /nfs/dbraw/zinc/95/35/07/635953507.db2.gz LKAQKEOIHGAOLY-ZJUUUORDSA-N 2 0 253.217 2.677 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857845729 636031006 /nfs/dbraw/zinc/03/10/06/636031006.db2.gz RDNBJGGNADCBJW-DZGCQCFKSA-N 2 0 278.444 2.887 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000858245451 636162874 /nfs/dbraw/zinc/16/28/74/636162874.db2.gz INQXEDAQTGFRIE-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CCc1ccc([C@@H](CNc2cc[nH+]c(CO)c2)[NH+](C)C)cc1 ZINC000858316019 636185576 /nfs/dbraw/zinc/18/55/76/636185576.db2.gz HDDVTFZHFOQHSI-GOSISDBHSA-N 2 0 299.418 2.851 20 0 CFADRP COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000858368484 636210713 /nfs/dbraw/zinc/21/07/13/636210713.db2.gz BKFGFTNHUQURQY-FJBKBRRZSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC[C@H]2CCOC2)cc1 ZINC000859211943 636505650 /nfs/dbraw/zinc/50/56/50/636505650.db2.gz DFXRVQBTYYCPDM-SFHVURJKSA-N 2 0 290.451 2.997 20 0 CFADRP CO[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000859211812 636505702 /nfs/dbraw/zinc/50/57/02/636505702.db2.gz AKKXFHPODFQLHE-IRXDYDNUSA-N 2 0 276.424 2.748 20 0 CFADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000859280809 636530183 /nfs/dbraw/zinc/53/01/83/636530183.db2.gz KZHFJFSBIICEOC-GFCCVEGCSA-N 2 0 290.798 2.848 20 0 CFADRP Cc1c(C[NH2+]CCCCC[NH+]2CCCC2)ccnc1F ZINC000862377080 637345442 /nfs/dbraw/zinc/34/54/42/637345442.db2.gz CDCWDNQFHHVUAO-UHFFFAOYSA-N 2 0 279.403 2.885 20 0 CFADRP Cc1c(F)nccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000862387797 637349831 /nfs/dbraw/zinc/34/98/31/637349831.db2.gz RLPVFNUNYXKUJK-UHFFFAOYSA-N 2 0 267.392 2.739 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000862523108 637406740 /nfs/dbraw/zinc/40/67/40/637406740.db2.gz RJBIQPFQEZELSK-OAHLLOKOSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1ccc([C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000075644955 650342513 /nfs/dbraw/zinc/34/25/13/650342513.db2.gz LOWSJANCZAEDPL-SFHVURJKSA-N 2 0 290.451 2.692 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC(C)(C)C1 ZINC000075800842 650347252 /nfs/dbraw/zinc/34/72/52/650347252.db2.gz VCCQZZRYWPBGDU-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP OC1(C[NH2+]C[C@@H]2CCN2C2CCCCC2)CCCCC1 ZINC000863380706 637646248 /nfs/dbraw/zinc/64/62/48/637646248.db2.gz GWTDYDHRAXPYFZ-INIZCTEOSA-N 2 0 280.456 2.678 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000863554059 637694796 /nfs/dbraw/zinc/69/47/96/637694796.db2.gz QLODDPBSLNTBCZ-UHFFFAOYSA-N 2 0 288.439 2.621 20 0 CFADRP C[C@H]([NH3+])CN(C)CCOc1cc(Cl)ccc1Cl ZINC000863567296 637697762 /nfs/dbraw/zinc/69/77/62/637697762.db2.gz VXBNPAOJNLUQCZ-VIFPVBQESA-N 2 0 277.195 2.651 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000076003199 650360638 /nfs/dbraw/zinc/36/06/38/650360638.db2.gz FFDIGGXQOSQDDK-CQSZACIVSA-N 2 0 266.454 2.954 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865415716 638321181 /nfs/dbraw/zinc/32/11/81/638321181.db2.gz PSXICOMGQWLBRH-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP Cc1cc(C[NH2+]CCCCCCC[NH+](C)C)on1 ZINC000865432517 638331509 /nfs/dbraw/zinc/33/15/09/638331509.db2.gz ZFXZCFQEZJUWTA-UHFFFAOYSA-N 2 0 253.390 2.585 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000865530541 638401128 /nfs/dbraw/zinc/40/11/28/638401128.db2.gz LUBBQJPRUNVUNC-UHFFFAOYSA-N 2 0 294.439 2.532 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cccn2C)CC1 ZINC000865715464 638531210 /nfs/dbraw/zinc/53/12/10/638531210.db2.gz SYAZZIJRUPHQSY-UHFFFAOYSA-N 2 0 263.429 2.625 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765544 638562049 /nfs/dbraw/zinc/56/20/49/638562049.db2.gz ZMKSRGHHJZDTIW-NFOMZHRRSA-N 2 0 256.434 2.652 20 0 CFADRP C[C@@H](O)c1ncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)s1 ZINC000865764843 638562553 /nfs/dbraw/zinc/56/25/53/638562553.db2.gz FFARVCQWBBONEQ-XIKARTHZSA-N 2 0 297.468 2.549 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc[nH]c2)(c2ccccc2)CC1 ZINC000865774033 638564860 /nfs/dbraw/zinc/56/48/60/638564860.db2.gz NQWUOZDZPWEACU-UHFFFAOYSA-N 2 0 283.419 2.768 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c21 ZINC000925493961 638737036 /nfs/dbraw/zinc/73/70/36/638737036.db2.gz SHCQOEQHGDAROC-QERJWTBHSA-N 2 0 295.430 2.605 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866211124 638771284 /nfs/dbraw/zinc/77/12/84/638771284.db2.gz GTAXAGYCFDZOKT-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)CCc1cccnc1 ZINC000866257947 638782144 /nfs/dbraw/zinc/78/21/44/638782144.db2.gz LLNOOOSFXBQELU-WBVHZDCISA-N 2 0 277.456 2.969 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866289485 638789914 /nfs/dbraw/zinc/78/99/14/638789914.db2.gz DTPFAAVDKAVWLV-OAHLLOKOSA-N 2 0 275.440 2.865 20 0 CFADRP C1CC([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]2CCCO2)C1 ZINC000866351953 638802427 /nfs/dbraw/zinc/80/24/27/638802427.db2.gz UJBXQWZHWFQOGU-FOIPXRHGSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000866372424 638807898 /nfs/dbraw/zinc/80/78/98/638807898.db2.gz GEJZDKXZHFAYRP-DOTOQJQBSA-N 2 0 275.440 2.724 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866378455 638809660 /nfs/dbraw/zinc/80/96/60/638809660.db2.gz REDCAOPEULJFDU-KWVKFQHESA-N 2 0 292.398 2.921 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000866467275 638826101 /nfs/dbraw/zinc/82/61/01/638826101.db2.gz BUBFGSCNJNNWHT-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467628 638826168 /nfs/dbraw/zinc/82/61/68/638826168.db2.gz MDXNGGFQQGWTGL-UONOGXRCSA-N 2 0 256.434 2.510 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467939 638826245 /nfs/dbraw/zinc/82/62/45/638826245.db2.gz VALFNLDJOAOXSH-SJLPKXTDSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000866470572 638826619 /nfs/dbraw/zinc/82/66/19/638826619.db2.gz ZIIATODBLLYOBE-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000866468659 638826629 /nfs/dbraw/zinc/82/66/29/638826629.db2.gz HOCSQRKIRFWNHT-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517325 638834408 /nfs/dbraw/zinc/83/44/08/638834408.db2.gz GWLCRNRQTHTNBN-IYXRBSQSSA-N 2 0 276.465 2.930 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc2n(n1)CCC2 ZINC000866518007 638834458 /nfs/dbraw/zinc/83/44/58/638834458.db2.gz QSOPTBPWNWONFY-TUBUQKNSSA-N 2 0 290.455 2.743 20 0 CFADRP C[C@H](c1cccc(F)c1)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866584812 638848943 /nfs/dbraw/zinc/84/89/43/638848943.db2.gz RAWRAYIKOPIWDB-INWMFGNUSA-N 2 0 262.372 2.913 20 0 CFADRP C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)C1CC[NH+](C)CC1 ZINC000866622646 638856900 /nfs/dbraw/zinc/85/69/00/638856900.db2.gz ODZCAHVDRXVZHU-GOEBONIOSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000866623544 638857286 /nfs/dbraw/zinc/85/72/86/638857286.db2.gz VSBZDOCPCSUJEF-INIZCTEOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCC(C)(C)CO1)CC[NH2+]CC2 ZINC000866667357 638863017 /nfs/dbraw/zinc/86/30/17/638863017.db2.gz KDJNZYQVXQYSOG-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP c1oc(C2CC2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866665917 638863379 /nfs/dbraw/zinc/86/33/79/638863379.db2.gz KUOIOYJUJGDICU-GJZGRUSLSA-N 2 0 289.423 2.764 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)[C@@H]2CCCOC2)C1 ZINC000872024569 641555731 /nfs/dbraw/zinc/55/57/31/641555731.db2.gz TXXGWCDWCBLXLU-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872029496 641558833 /nfs/dbraw/zinc/55/88/33/641558833.db2.gz QRYKJOUNXSXFOD-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)[C@H]1CCCOC1 ZINC000872035289 641567293 /nfs/dbraw/zinc/56/72/93/641567293.db2.gz VRGWANMKPHLTTE-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCCOC1 ZINC000872062317 641593821 /nfs/dbraw/zinc/59/38/21/641593821.db2.gz LVVZQBLNZXRUSV-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@@H]1CCCOC1 ZINC000872082146 641615644 /nfs/dbraw/zinc/61/56/44/641615644.db2.gz QDAXLNSJSKYWPG-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCOC1 ZINC000872088757 641622651 /nfs/dbraw/zinc/62/26/51/641622651.db2.gz PYVGCFRAZOVZNJ-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000872104602 641636050 /nfs/dbraw/zinc/63/60/50/641636050.db2.gz KMEUSPIPCKQEJM-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)OC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000872117761 641647888 /nfs/dbraw/zinc/64/78/88/641647888.db2.gz VHJARDBREWSCID-CQSZACIVSA-N 2 0 268.445 2.654 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c2c1 ZINC000872143315 641670621 /nfs/dbraw/zinc/67/06/21/641670621.db2.gz LOZZMWBGPCAZOU-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)c2C1 ZINC000872144189 641671149 /nfs/dbraw/zinc/67/11/49/641671149.db2.gz XCEDLKDHDHAVHS-ZDUSSCGKSA-N 2 0 291.439 2.750 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1)C1CCCC1 ZINC000872156773 641676926 /nfs/dbraw/zinc/67/69/26/641676926.db2.gz MEBSEUXWZVPVSI-ZMSDIMECSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156240 641677329 /nfs/dbraw/zinc/67/73/29/641677329.db2.gz GUURGYLHRWPSDR-SOLBZPMBSA-N 3 0 293.499 2.606 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cc(C2CC2)no1 ZINC000872157788 641677582 /nfs/dbraw/zinc/67/75/82/641677582.db2.gz RCVBURUFPVOJNG-UHFFFAOYSA-N 2 0 251.374 2.503 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1)C1CCCC1 ZINC000872156772 641677661 /nfs/dbraw/zinc/67/76/61/641677661.db2.gz MEBSEUXWZVPVSI-YQQAZPJKSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872156231 641677996 /nfs/dbraw/zinc/67/79/96/641677996.db2.gz GPMAJUSOPBTQDA-FUHWJXTLSA-N 3 0 293.499 2.606 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCCF)C1)C1CCCC1 ZINC000872156461 641678056 /nfs/dbraw/zinc/67/80/56/641678056.db2.gz JYWIGYFDCVBAKN-UKRRQHHQSA-N 2 0 256.409 2.966 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252732 641719497 /nfs/dbraw/zinc/71/94/97/641719497.db2.gz VARFYZFXXNAPPJ-OAGGEKHMSA-N 2 0 282.472 2.805 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282032 641739418 /nfs/dbraw/zinc/73/94/18/641739418.db2.gz ZPJSTQLLGRLFOG-DOTOQJQBSA-N 2 0 280.456 2.894 20 0 CFADRP c1cc(N2CC[NH+](C3CCC3)CC2)c(C2CC2)c[nH+]1 ZINC000872453871 641815774 /nfs/dbraw/zinc/81/57/74/641815774.db2.gz RJCDBKTUKSBUPQ-UHFFFAOYSA-N 2 0 257.381 2.634 20 0 CFADRP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]cc2C2CC2)CCO1 ZINC000872604319 641873677 /nfs/dbraw/zinc/87/36/77/641873677.db2.gz CQFKYCOSTKTWCS-OAHLLOKOSA-N 2 0 289.423 2.506 20 0 CFADRP CCOc1cccc(F)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000873044966 641993941 /nfs/dbraw/zinc/99/39/41/641993941.db2.gz ZYNXOGRBEWREJO-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1 ZINC000873197832 642061596 /nfs/dbraw/zinc/06/15/96/642061596.db2.gz DTJQSQLUQTWJDS-UHFFFAOYSA-N 2 0 298.377 2.904 20 0 CFADRP CC(C)(C)C[N@H+](CCCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205207 642065369 /nfs/dbraw/zinc/06/53/69/642065369.db2.gz ORSAMEKHBVDDDT-UHFFFAOYSA-N 2 0 296.480 2.624 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213725 642070730 /nfs/dbraw/zinc/07/07/30/642070730.db2.gz OFCYTMXJHIGVGM-GFCCVEGCSA-N 2 0 287.432 2.510 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3c1NCC3)CC2 ZINC000873217857 642071847 /nfs/dbraw/zinc/07/18/47/642071847.db2.gz RZOZLCWLNFLCDM-UHFFFAOYSA-N 2 0 299.462 2.962 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000873219978 642072845 /nfs/dbraw/zinc/07/28/45/642072845.db2.gz DPOMLABBOYZDGC-SNVBAGLBSA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000873220442 642073754 /nfs/dbraw/zinc/07/37/54/642073754.db2.gz OTECZVZFFZHIME-JQFCIGGWSA-N 2 0 258.409 2.768 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CC2 ZINC000873220892 642073819 /nfs/dbraw/zinc/07/38/19/642073819.db2.gz VRHIALZYBLSKNV-SUMWQHHRSA-N 2 0 288.435 2.530 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873222201 642074972 /nfs/dbraw/zinc/07/49/72/642074972.db2.gz GHRRWHCVCNNJTG-AWEZNQCLSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)C1CC[NH2+]CC1 ZINC000873222126 642075517 /nfs/dbraw/zinc/07/55/17/642075517.db2.gz ANQDRURVRGVFCW-LBPRGKRZSA-N 2 0 287.382 2.852 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c(Cl)c1 ZINC000873222453 642075941 /nfs/dbraw/zinc/07/59/41/642075941.db2.gz UJMASULJUZOMGE-NSHDSACASA-N 2 0 282.815 2.826 20 0 CFADRP COCCC1([NH2+]Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000873225229 642078647 /nfs/dbraw/zinc/07/86/47/642078647.db2.gz VKIGQXKBEUVUQR-UHFFFAOYSA-N 2 0 282.815 2.588 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cnc2ccc(Cl)cn12 ZINC000873231311 642084821 /nfs/dbraw/zinc/08/48/21/642084821.db2.gz FCJOZEZCSVKTIK-UHFFFAOYSA-N 2 0 294.830 2.939 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(N2CCCC2)nc1 ZINC000873231920 642084954 /nfs/dbraw/zinc/08/49/54/642084954.db2.gz ZBAMYLAVBJWXOA-UHFFFAOYSA-N 2 0 290.455 2.633 20 0 CFADRP Oc1cccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232815 642086493 /nfs/dbraw/zinc/08/64/93/642086493.db2.gz NSVUMFAVYFXYTF-MRXNPFEDSA-N 2 0 274.408 2.794 20 0 CFADRP COC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000873244181 642091991 /nfs/dbraw/zinc/09/19/91/642091991.db2.gz JOZCGQHIESMKEH-HZPDHXFCSA-N 2 0 276.424 2.742 20 0 CFADRP CCC(CC)(C[NH2+][C@H]1CCC[C@H]1[NH3+])C(F)(F)F ZINC000873247824 642094462 /nfs/dbraw/zinc/09/44/62/642094462.db2.gz UXJWNGAXRVCDIV-ZJUUUORDSA-N 2 0 252.324 2.825 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873249548 642096063 /nfs/dbraw/zinc/09/60/63/642096063.db2.gz LTKABAKWQYKLDB-MISOGJRXSA-N 2 0 274.408 2.514 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000873252090 642097695 /nfs/dbraw/zinc/09/76/95/642097695.db2.gz ZTTWJZVAPXKIBQ-LJWDBELGSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251917 642097796 /nfs/dbraw/zinc/09/77/96/642097796.db2.gz YHLVMEHRASJQEJ-GYSYKLTISA-N 2 0 268.351 2.613 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000873252088 642097933 /nfs/dbraw/zinc/09/79/33/642097933.db2.gz ZTTWJZVAPXKIBQ-BHYNMZESSA-N 2 0 295.224 2.763 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000873252637 642099163 /nfs/dbraw/zinc/09/91/63/642099163.db2.gz UIIWHZXSCQJRJD-NXOAAHMSSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000873254231 642099618 /nfs/dbraw/zinc/09/96/18/642099618.db2.gz OAJVZCFQROCKSO-FOGDFJRCSA-N 2 0 261.394 2.684 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873254598 642099844 /nfs/dbraw/zinc/09/98/44/642099844.db2.gz XVYNTFLMWMGKDB-PXWWUCIGSA-N 2 0 254.324 2.743 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873254509 642100180 /nfs/dbraw/zinc/10/01/80/642100180.db2.gz VPMJGWJMSBWPKS-OLUVUFQESA-N 2 0 254.324 2.743 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000873256513 642102677 /nfs/dbraw/zinc/10/26/77/642102677.db2.gz NNAUQWZEMBBJJA-SRCQZFHVSA-N 2 0 285.366 2.637 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OCC ZINC000873258827 642103688 /nfs/dbraw/zinc/10/36/88/642103688.db2.gz VPVUVGRFESZOHD-UMVBOHGHSA-N 2 0 292.423 2.872 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260890 642105340 /nfs/dbraw/zinc/10/53/40/642105340.db2.gz JNNCLTVJQUWLTJ-ABJHKEKUSA-N 2 0 288.435 2.883 20 0 CFADRP c1ccc(N2CCC([NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000873260234 642105419 /nfs/dbraw/zinc/10/54/19/642105419.db2.gz WCMMIYTXKPGDSU-VBUUOAMHSA-N 2 0 299.462 2.776 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873266612 642110184 /nfs/dbraw/zinc/11/01/84/642110184.db2.gz OWWMVXBJPCRUMT-BZSNNMDCSA-N 2 0 287.451 2.511 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873268861 642110800 /nfs/dbraw/zinc/11/08/00/642110800.db2.gz IIBREYNPUBNDKM-VHDGCEQUSA-N 2 0 268.445 2.556 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873268412 642111273 /nfs/dbraw/zinc/11/12/73/642111273.db2.gz CCZIMNDNRHGDFH-GHMZBOCLSA-N 2 0 296.436 2.573 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873269306 642111950 /nfs/dbraw/zinc/11/19/50/642111950.db2.gz OPUVKLWCZMZYIX-VNQPRFMTSA-N 2 0 280.456 2.702 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269978 642112094 /nfs/dbraw/zinc/11/20/94/642112094.db2.gz NMANNEYZAIMAEZ-ABAIWWIYSA-N 2 0 292.398 2.799 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)C1CC[NH2+]CC1 ZINC000873270817 642112484 /nfs/dbraw/zinc/11/24/84/642112484.db2.gz AVMBNINZMJVPMO-MGPLVRAMSA-N 2 0 280.362 2.930 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873272107 642113511 /nfs/dbraw/zinc/11/35/11/642113511.db2.gz OPUVKLWCZMZYIX-NUEKZKHPSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000873272176 642113746 /nfs/dbraw/zinc/11/37/46/642113746.db2.gz QEDJGBFMVTUKIR-GJZGRUSLSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000873274461 642114477 /nfs/dbraw/zinc/11/44/77/642114477.db2.gz VFPKRQUVCPHWCJ-JCGIZDLHSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000873275161 642115494 /nfs/dbraw/zinc/11/54/94/642115494.db2.gz IVWFUXFJEGLOOH-UONOGXRCSA-N 2 0 254.418 2.585 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873281389 642116736 /nfs/dbraw/zinc/11/67/36/642116736.db2.gz IJVCSGODIOFQJQ-WJWMFLMHSA-N 2 0 292.467 2.844 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290661 642123013 /nfs/dbraw/zinc/12/30/13/642123013.db2.gz FMUSVQXDSKKCEJ-OWCLPIDISA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873290382 642123104 /nfs/dbraw/zinc/12/31/04/642123104.db2.gz QBDOULOKEAHUAY-CZUORRHYSA-N 2 0 292.398 2.635 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291459 642123929 /nfs/dbraw/zinc/12/39/29/642123929.db2.gz HBEQXIQXEORGSX-FXUDXRNXSA-N 2 0 280.456 2.559 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291262 642124068 /nfs/dbraw/zinc/12/40/68/642124068.db2.gz IVZJNEPIHYYKHB-NCOADZHNSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293142 642124413 /nfs/dbraw/zinc/12/44/13/642124413.db2.gz YHGXBQUVELHFKU-CABCVRRESA-N 2 0 280.456 2.704 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294094 642125678 /nfs/dbraw/zinc/12/56/78/642125678.db2.gz SOUBANFUMXNGLT-JYJNAYRXSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2cc(F)ccc2N(C)C)CC[N@@H+]1C ZINC000876766009 643001879 /nfs/dbraw/zinc/00/18/79/643001879.db2.gz YYVLYWWFWKBWCD-XJKSGUPXSA-N 2 0 293.430 2.806 20 0 CFADRP C[C@@H]1C[N@H+](CC2(C)CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876781343 643007725 /nfs/dbraw/zinc/00/77/25/643007725.db2.gz GJLVHFFPQKRVEN-IAGOWNOFSA-N 2 0 293.499 2.525 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000876947098 643075410 /nfs/dbraw/zinc/07/54/10/643075410.db2.gz VFZKKVSWLSIUOS-LLVKDONJSA-N 2 0 277.239 2.644 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000876992473 643096632 /nfs/dbraw/zinc/09/66/32/643096632.db2.gz VZJYVRWCDLRPCQ-JCGVRSQUSA-N 2 0 278.377 2.639 20 0 CFADRP CO[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000877076428 643138138 /nfs/dbraw/zinc/13/81/38/643138138.db2.gz MIMPUBOZJMKXHA-OFLPRAFFSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000089147742 650828423 /nfs/dbraw/zinc/82/84/23/650828423.db2.gz PWHBIWNWQVDWOZ-MAUKXSAKSA-N 3 0 289.467 2.745 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089143002 650828430 /nfs/dbraw/zinc/82/84/30/650828430.db2.gz SHHNIQFFTGCETO-RHSMWYFYSA-N 2 0 291.439 2.556 20 0 CFADRP CO[C@@](C)(C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000877497523 643310284 /nfs/dbraw/zinc/31/02/84/643310284.db2.gz RVBLYCRZTLNQNJ-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@](C)(C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000877524733 643328044 /nfs/dbraw/zinc/32/80/44/643328044.db2.gz DEXVGRQRMFQKST-QGZVFWFLSA-N 2 0 278.440 2.995 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877525027 643330051 /nfs/dbraw/zinc/33/00/51/643330051.db2.gz OHHPIFIREXLVBB-GHMZBOCLSA-N 2 0 265.228 2.500 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000877528473 643332783 /nfs/dbraw/zinc/33/27/83/643332783.db2.gz BDQYPRSOLBFQNV-STQMWFEESA-N 2 0 291.266 2.844 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000877577227 643374103 /nfs/dbraw/zinc/37/41/03/643374103.db2.gz CKVXQVPXCMSCQO-JTQLQIEISA-N 2 0 265.228 2.644 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877610859 643398697 /nfs/dbraw/zinc/39/86/97/643398697.db2.gz ZZOYJSAPCZSXLR-LLVKDONJSA-N 2 0 267.244 2.748 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000877642203 643427149 /nfs/dbraw/zinc/42/71/49/643427149.db2.gz GPPQYUFDKOYULN-CQSZACIVSA-N 2 0 288.501 2.561 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000877642686 643427247 /nfs/dbraw/zinc/42/72/47/643427247.db2.gz QRNGMGZXEPPCMY-CYBMUJFWSA-N 2 0 291.266 2.892 20 0 CFADRP COCC[N@@H+](Cc1cc(C)oc1C)CC1CC[NH+](C)CC1 ZINC000877663840 643440795 /nfs/dbraw/zinc/44/07/95/643440795.db2.gz BRRXDMTWVRYCLU-UHFFFAOYSA-N 2 0 294.439 2.687 20 0 CFADRP CC(C)n1ccnc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877683419 643452430 /nfs/dbraw/zinc/45/24/30/643452430.db2.gz ASSZUDIFZUMNKU-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)o1 ZINC000877696945 643459683 /nfs/dbraw/zinc/45/96/83/643459683.db2.gz CGDYHNWASXCHMK-UHFFFAOYSA-N 2 0 279.428 2.892 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000877698586 643460984 /nfs/dbraw/zinc/46/09/84/643460984.db2.gz YYVHVJJNDXEDMD-HUUCEWRRSA-N 2 0 270.486 2.981 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000877738192 643501431 /nfs/dbraw/zinc/50/14/31/643501431.db2.gz AMJGIZZBGIJHLI-QGPMSJSTSA-N 2 0 288.435 2.825 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000877743578 643520448 /nfs/dbraw/zinc/52/04/48/643520448.db2.gz WXMHGLBMVIVFLF-AEFFLSMTSA-N 2 0 281.403 2.761 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000877744572 643521914 /nfs/dbraw/zinc/52/19/14/643521914.db2.gz VPJYBKRXFPMOGW-NVXWUHKLSA-N 2 0 281.403 2.761 20 0 CFADRP Cc1ccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)nn1 ZINC000877767536 643546332 /nfs/dbraw/zinc/54/63/32/643546332.db2.gz MJXGKKSOTANULS-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)CC1CC[NH+](C)CC1 ZINC000877767673 643546600 /nfs/dbraw/zinc/54/66/00/643546600.db2.gz SKCCLBLJXGZCIN-UHFFFAOYSA-N 2 0 275.440 2.881 20 0 CFADRP Cc1cnc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000877767812 643546672 /nfs/dbraw/zinc/54/66/72/643546672.db2.gz WGVLLPJQBDDFEU-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP CCn1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cn1 ZINC000877767913 643547193 /nfs/dbraw/zinc/54/71/93/643547193.db2.gz YSCSBPLCXAXBBB-UHFFFAOYSA-N 2 0 292.471 2.703 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000089749531 650853745 /nfs/dbraw/zinc/85/37/45/650853745.db2.gz OEEJZLUZBOCKCB-GJZGRUSLSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCC2CC2)CC1 ZINC000878020712 643696164 /nfs/dbraw/zinc/69/61/64/643696164.db2.gz PHJZQOBQDQGRNK-IAGOWNOFSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878034683 643703292 /nfs/dbraw/zinc/70/32/92/643703292.db2.gz RFDLLJDAAZWWPX-BHYGNILZSA-N 2 0 280.456 2.749 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878035106 643704796 /nfs/dbraw/zinc/70/47/96/643704796.db2.gz YPZLECRNQITXIO-INIZCTEOSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)CC(C)(C)C ZINC000878109203 643740402 /nfs/dbraw/zinc/74/04/02/643740402.db2.gz NNOYIVOQZBSQOK-HNNXBMFYSA-N 2 0 284.488 2.837 20 0 CFADRP C(C1CC2(CCC2)C1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125897 643750222 /nfs/dbraw/zinc/75/02/22/643750222.db2.gz QMGJJSYUTHSFQX-HNNXBMFYSA-N 2 0 262.441 2.984 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC4(CCC4)O3)CC[C@H]21 ZINC000878196622 643789047 /nfs/dbraw/zinc/78/90/47/643789047.db2.gz HFTVPAPLJTYGCB-OWCLPIDISA-N 2 0 278.440 2.504 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878329177 643843860 /nfs/dbraw/zinc/84/38/60/643843860.db2.gz VKMCNGRJCPNQPI-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@H+](C[C@H]1CCCC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608213 643956766 /nfs/dbraw/zinc/95/67/66/643956766.db2.gz LMOLKXWHLGATFO-VFSICIBPSA-N 2 0 280.456 2.891 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCCC(C)(C)O1)C2 ZINC000878662215 643982626 /nfs/dbraw/zinc/98/26/26/643982626.db2.gz MRDYARXMFANHIM-RDJZCZTQSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)CC(C)(C)C ZINC000878693557 643994424 /nfs/dbraw/zinc/99/44/24/643994424.db2.gz DBWYTOCWMLQRFZ-HNNXBMFYSA-N 2 0 296.499 2.885 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878863556 644054979 /nfs/dbraw/zinc/05/49/79/644054979.db2.gz YODDSSIQQHSBNG-INIZCTEOSA-N 2 0 282.472 2.735 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(Cl)n3)C2)CC1 ZINC000878864710 644055877 /nfs/dbraw/zinc/05/58/77/644055877.db2.gz LUMHYYZOMSOKRW-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCC1CCC1)CC2 ZINC000879250514 644195027 /nfs/dbraw/zinc/19/50/27/644195027.db2.gz GZDUTFXIUPVRDQ-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[NH+]1CCC2(CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000879248951 644195072 /nfs/dbraw/zinc/19/50/72/644195072.db2.gz ZYARAASGRULDDO-KRWDZBQOSA-N 2 0 293.499 2.669 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC1CC(F)(F)C1)CC2 ZINC000879251303 644196417 /nfs/dbraw/zinc/19/64/17/644196417.db2.gz SMTPVRAWQLSBOJ-UHFFFAOYSA-N 2 0 272.383 2.840 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000091542662 650902646 /nfs/dbraw/zinc/90/26/46/650902646.db2.gz XELCPMHIUUPKFC-DZGCQCFKSA-N 2 0 293.842 2.589 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571030 644328448 /nfs/dbraw/zinc/32/84/48/644328448.db2.gz LLHIYKQVSJIWBY-IAGOWNOFSA-N 2 0 288.435 2.790 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580254 644335771 /nfs/dbraw/zinc/33/57/71/644335771.db2.gz GFNJAADLQYSNLR-MSOLQXFVSA-N 2 0 272.436 2.818 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000879580378 644335925 /nfs/dbraw/zinc/33/59/25/644335925.db2.gz GQFVZRDQGLMYQH-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP C[C@H]1C[C@@H](Nc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000127958210 644386272 /nfs/dbraw/zinc/38/62/72/644386272.db2.gz ZSHWKFNJKGTXSF-HOCLYGCPSA-N 2 0 291.439 2.522 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702923 644388534 /nfs/dbraw/zinc/38/85/34/644388534.db2.gz AXZWGBXEWWHHON-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)ncn1 ZINC000879703635 644389392 /nfs/dbraw/zinc/38/93/92/644389392.db2.gz REYFIFATZPSCKE-UHFFFAOYSA-N 2 0 290.455 2.585 20 0 CFADRP CC(C)C[N@H+](C[C@H]1CCO[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879706592 644390694 /nfs/dbraw/zinc/39/06/94/644390694.db2.gz ZOKVBGDQAKIKFT-DOTOQJQBSA-N 2 0 282.472 2.711 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002465 644492863 /nfs/dbraw/zinc/49/28/63/644492863.db2.gz KWUCBMFQAHMKKS-RYUDHWBXSA-N 2 0 264.335 2.745 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258619 644617552 /nfs/dbraw/zinc/61/75/52/644617552.db2.gz BFONORLKASAHBF-LSDHHAIUSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000880258937 644617573 /nfs/dbraw/zinc/61/75/73/644617573.db2.gz KXRRVNQVBGUVNH-LVQVYYBASA-N 2 0 271.408 2.638 20 0 CFADRP C[C@H]1C[N@H+](CCCCCF)CCN1c1cc[nH+]cc1 ZINC000880261429 644619173 /nfs/dbraw/zinc/61/91/73/644619173.db2.gz VVSNBXIRTIAGPB-AWEZNQCLSA-N 2 0 265.376 2.732 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)c1ccccc1 ZINC000880461155 644721058 /nfs/dbraw/zinc/72/10/58/644721058.db2.gz DOPGNRCFVGDGHB-IRXDYDNUSA-N 2 0 276.424 2.526 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880513089 644745535 /nfs/dbraw/zinc/74/55/35/644745535.db2.gz XEVDNESGXLUNPZ-OAGGEKHMSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880514435 644747423 /nfs/dbraw/zinc/74/74/23/644747423.db2.gz XEVDNESGXLUNPZ-XHSDSOJGSA-N 2 0 266.429 2.552 20 0 CFADRP Cc1nn(C)c(C)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517823 644748196 /nfs/dbraw/zinc/74/81/96/644748196.db2.gz XMQVAXFEYRHHKC-UHFFFAOYSA-N 2 0 292.471 2.735 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880552350 644763616 /nfs/dbraw/zinc/76/36/16/644763616.db2.gz SXGUGZHVKMOVDJ-ZWKOTPCHSA-N 2 0 299.462 2.955 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000094950171 650965969 /nfs/dbraw/zinc/96/59/69/650965969.db2.gz NMMVQEFRBKVYMK-XJKSGUPXSA-N 2 0 264.388 2.797 20 0 CFADRP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250082747 650970405 /nfs/dbraw/zinc/97/04/05/650970405.db2.gz LOTDKLNWBGYSDR-DJIMGWMZSA-N 2 0 276.399 2.879 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000250361158 650973613 /nfs/dbraw/zinc/97/36/13/650973613.db2.gz TXQOVTXZSKAIIF-BRWVUGGUSA-N 2 0 293.499 2.761 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000250389105 650974299 /nfs/dbraw/zinc/97/42/99/650974299.db2.gz OVFHTZGJOHLHPO-FGTMMUONSA-N 2 0 293.499 2.572 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129236519 645125807 /nfs/dbraw/zinc/12/58/07/645125807.db2.gz QSSHUWFEGDEHKQ-AAEUAGOBSA-N 2 0 250.411 2.857 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129236310 645126239 /nfs/dbraw/zinc/12/62/39/645126239.db2.gz QSSHUWFEGDEHKQ-WCQYABFASA-N 2 0 250.411 2.857 20 0 CFADRP OC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000251086987 650983444 /nfs/dbraw/zinc/98/34/44/650983444.db2.gz HVTWPRROZKEJHF-ARFHVFGLSA-N 2 0 280.456 2.582 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882942440 645519419 /nfs/dbraw/zinc/51/94/19/645519419.db2.gz CNVCYWNNWXSJHD-OAHLLOKOSA-N 2 0 288.435 2.581 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(F)c2)C1 ZINC000252708667 651019639 /nfs/dbraw/zinc/01/96/39/651019639.db2.gz ATOOFDILEOKXQO-HIFRSBDPSA-N 2 0 264.388 2.688 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883034241 645574387 /nfs/dbraw/zinc/57/43/87/645574387.db2.gz ORSIFASSOSBYLI-FZKCQIBNSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1F ZINC000252847177 651026773 /nfs/dbraw/zinc/02/67/73/651026773.db2.gz FWPDLODVCQEJIU-OFQRWUPVSA-N 2 0 262.372 2.693 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883165179 645634417 /nfs/dbraw/zinc/63/44/17/645634417.db2.gz YDBMVGBHOWLJGC-QGZVFWFLSA-N 2 0 294.414 2.835 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000883186127 645648177 /nfs/dbraw/zinc/64/81/77/645648177.db2.gz LVOHCMJWQKXXGB-IXDOHACOSA-N 2 0 295.515 2.674 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883186290 645649079 /nfs/dbraw/zinc/64/90/79/645649079.db2.gz OTRSGXGMOFINSE-IAGOWNOFSA-N 2 0 293.499 2.572 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883215726 645669797 /nfs/dbraw/zinc/66/97/97/645669797.db2.gz FDPQYOYLQHPNOC-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000883273724 645715137 /nfs/dbraw/zinc/71/51/37/645715137.db2.gz REEAGUYOLJCLPN-FRRDWIJNSA-N 2 0 260.372 2.884 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCCSC2)CC1 ZINC000131386677 645717153 /nfs/dbraw/zinc/71/71/53/645717153.db2.gz PULSDFCIONYHMR-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883417632 645811048 /nfs/dbraw/zinc/81/10/48/645811048.db2.gz IEKBAQOYVHNGAF-RANZSIQMSA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883417366 645811155 /nfs/dbraw/zinc/81/11/55/645811155.db2.gz YALPBQNQDHDXQD-XIRDDKMYSA-N 2 0 274.408 2.577 20 0 CFADRP C[NH2+]CC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000883417115 645811184 /nfs/dbraw/zinc/81/11/84/645811184.db2.gz NZRSXEBBUHBFNH-CYBMUJFWSA-N 2 0 260.372 2.743 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883418353 645812843 /nfs/dbraw/zinc/81/28/43/645812843.db2.gz FVHWIJLORHWVCF-BBWFWOEESA-N 2 0 276.424 2.870 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883427001 645820843 /nfs/dbraw/zinc/82/08/43/645820843.db2.gz GDFLYKAFORVRSE-STQMWFEESA-N 2 0 260.372 2.873 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883428740 645822767 /nfs/dbraw/zinc/82/27/67/645822767.db2.gz BKJOIGALIXRTDP-HRCADAONSA-N 2 0 294.483 2.902 20 0 CFADRP NC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)C1CCCCC1 ZINC000883429617 645824559 /nfs/dbraw/zinc/82/45/59/645824559.db2.gz AJEHNJBLWHZRGR-HUUCEWRRSA-N 2 0 266.429 2.585 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883434964 645828046 /nfs/dbraw/zinc/82/80/46/645828046.db2.gz GKXBUQPUCFSGMI-MXASKKJJSA-N 2 0 274.408 2.718 20 0 CFADRP [NH3+]CCC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000883435173 645829445 /nfs/dbraw/zinc/82/94/45/645829445.db2.gz LYBYIEYAFJKASD-CYBMUJFWSA-N 2 0 260.372 2.873 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000883461236 645843364 /nfs/dbraw/zinc/84/33/64/645843364.db2.gz QGSKBRGZXPIDLJ-OAHLLOKOSA-N 2 0 264.438 2.776 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000883460647 645843768 /nfs/dbraw/zinc/84/37/68/645843768.db2.gz CFYQDWRVAKORJV-CQSZACIVSA-N 2 0 250.411 2.515 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000132140401 645882544 /nfs/dbraw/zinc/88/25/44/645882544.db2.gz WWPSUPGFWSQHDO-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000800171342 646167867 /nfs/dbraw/zinc/16/78/67/646167867.db2.gz GCPINMWEMRPEMX-KFWWJZLASA-N 2 0 284.444 2.523 20 0 CFADRP CCC1([NH+]2CCC2)CCN(c2cc[nH+]cc2C)CC1 ZINC000884716833 646540035 /nfs/dbraw/zinc/54/00/35/646540035.db2.gz KHOQLANQLNXLJM-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc[nH+]1 ZINC000884853302 646559269 /nfs/dbraw/zinc/55/92/69/646559269.db2.gz KVBRXUQCGWWGMT-AWEZNQCLSA-N 2 0 268.364 2.500 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1cncc2ccccc21 ZINC000135764002 646621742 /nfs/dbraw/zinc/62/17/42/646621742.db2.gz HGAITOYFDDSJIH-CYBMUJFWSA-N 2 0 257.381 2.665 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cncc2ccccc21 ZINC000135763958 646622020 /nfs/dbraw/zinc/62/20/20/646622020.db2.gz HGAITOYFDDSJIH-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885924505 646769992 /nfs/dbraw/zinc/76/99/92/646769992.db2.gz RFAUSQFLMNREND-ZDTYVGOBSA-N 2 0 262.372 2.770 20 0 CFADRP C([C@@H]1CC[C@H](C2CC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000885956777 646783185 /nfs/dbraw/zinc/78/31/85/646783185.db2.gz YJRLYTFOAXMKHH-ZWKOTPCHSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000886010013 646813914 /nfs/dbraw/zinc/81/39/14/646813914.db2.gz CBVNVMVMAMQPRE-WMZOPIPTSA-N 2 0 290.451 2.723 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C/C=C/c1cccc(F)c1 ZINC000886014850 646817345 /nfs/dbraw/zinc/81/73/45/646817345.db2.gz QARINRMHDRMDDI-JKNJVXJCSA-N 2 0 294.414 2.785 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CCSC(F)(F)F)C1 ZINC000886031011 646829272 /nfs/dbraw/zinc/82/92/72/646829272.db2.gz ZRGUWDURNRVNIO-LLVKDONJSA-N 2 0 284.391 2.903 20 0 CFADRP C[C@H](C[NH2+]C/C=C\c1cccc(F)c1)C[NH+](C)C ZINC000886122717 646881346 /nfs/dbraw/zinc/88/13/46/646881346.db2.gz IIAXVHBQTQBDQK-SCXUMTSISA-N 2 0 250.361 2.626 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000886153237 646899268 /nfs/dbraw/zinc/89/92/68/646899268.db2.gz AMOIFZPRYQIOFX-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)CC1 ZINC000886171888 646906664 /nfs/dbraw/zinc/90/66/64/646906664.db2.gz QUDXTLXFWQRIGS-BHYGNILZSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c1C ZINC000886176691 646908555 /nfs/dbraw/zinc/90/85/55/646908555.db2.gz JEFCWICDBGWCME-UHFFFAOYSA-N 2 0 278.444 2.627 20 0 CFADRP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000886280434 646949442 /nfs/dbraw/zinc/94/94/42/646949442.db2.gz DXNWGARQTPQMHU-OMNBBPDLSA-N 2 0 282.391 2.649 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000886281352 646950644 /nfs/dbraw/zinc/95/06/44/646950644.db2.gz WUIKLWVYLZGDMA-ARILJUKYSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC2(CCC2)C1 ZINC000886343279 646979124 /nfs/dbraw/zinc/97/91/24/646979124.db2.gz UBOFHCACJCQKKC-ULQDDVLXSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886517851 647025909 /nfs/dbraw/zinc/02/59/09/647025909.db2.gz UIHWLTBBQUAVSA-GTPINHCMSA-N 3 0 281.488 2.713 20 0 CFADRP COCC[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520291 647026729 /nfs/dbraw/zinc/02/67/29/647026729.db2.gz AVESNJAQNQNELY-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000886536878 647036078 /nfs/dbraw/zinc/03/60/78/647036078.db2.gz PXNAXLKJHYRXBD-PMPSAXMXSA-N 2 0 278.444 2.580 20 0 CFADRP Cc1c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000886557108 647045896 /nfs/dbraw/zinc/04/58/96/647045896.db2.gz SGVVTOTZEFMWQG-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886601136 647062120 /nfs/dbraw/zinc/06/21/20/647062120.db2.gz KWNKBVSOABPHCX-ORBLRFAASA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCCCO)CC1 ZINC000886603570 647063658 /nfs/dbraw/zinc/06/36/58/647063658.db2.gz QUVUFRRMQWKFQV-UHFFFAOYSA-N 2 0 268.445 2.536 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2=CCCOC2)CC1 ZINC000886610674 647066116 /nfs/dbraw/zinc/06/61/16/647066116.db2.gz HBIKBDLKWANFNG-UHFFFAOYSA-N 2 0 278.440 2.720 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000886621063 647072786 /nfs/dbraw/zinc/07/27/86/647072786.db2.gz ZULGQPXWWFWDHD-PBHCIXSXSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000886631274 647078136 /nfs/dbraw/zinc/07/81/36/647078136.db2.gz ISZBHXBTGNPNPC-UIDBIOKJSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886644685 647085630 /nfs/dbraw/zinc/08/56/30/647085630.db2.gz IMRFHKQCNQQYQW-DICYVTDZSA-N 2 0 266.429 2.551 20 0 CFADRP CC[C@H](C[C@@H](C)O)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886650031 647088808 /nfs/dbraw/zinc/08/88/08/647088808.db2.gz NVAFSXABUXVTCZ-NUWOQIAWSA-N 2 0 282.472 2.923 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000886715974 647120340 /nfs/dbraw/zinc/12/03/40/647120340.db2.gz KQMDDCDKKWZMAG-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)[C@@H]2CCC[C@H]21 ZINC000886730562 647123827 /nfs/dbraw/zinc/12/38/27/647123827.db2.gz GWFZXCCFVKZTCU-LUKYLMHMSA-N 2 0 292.467 2.798 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886839639 647159808 /nfs/dbraw/zinc/15/98/08/647159808.db2.gz JCTCLGZSVICVBB-IXDOHACOSA-N 2 0 292.467 2.657 20 0 CFADRP C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886841480 647160308 /nfs/dbraw/zinc/16/03/08/647160308.db2.gz MQPDOZLDDODRKT-SQNIBIBYSA-N 2 0 292.467 2.513 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886867589 647163930 /nfs/dbraw/zinc/16/39/30/647163930.db2.gz IWHMFOYLCKMUSR-GOSISDBHSA-N 2 0 288.435 2.921 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876146 647166288 /nfs/dbraw/zinc/16/62/88/647166288.db2.gz PAOGXDOBKKOEPQ-IAGOWNOFSA-N 2 0 292.467 2.944 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@H]1CCC[NH2+]C1 ZINC000886882564 647167442 /nfs/dbraw/zinc/16/74/42/647167442.db2.gz WQLHXFZGSJJXRS-KRWDZBQOSA-N 2 0 290.451 2.751 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H]1CCC[NH2+]C1 ZINC000886882565 647167974 /nfs/dbraw/zinc/16/79/74/647167974.db2.gz WQLHXFZGSJJXRS-QGZVFWFLSA-N 2 0 290.451 2.751 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132191 647222632 /nfs/dbraw/zinc/22/26/32/647222632.db2.gz ABJPBVTYYKTITM-CABCVRRESA-N 2 0 282.391 2.748 20 0 CFADRP CC(C)OC1CC([N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887134989 647223978 /nfs/dbraw/zinc/22/39/78/647223978.db2.gz UBQIRLJZUORLCC-OOHWJJMZSA-N 2 0 289.423 2.548 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000223211199 647354151 /nfs/dbraw/zinc/35/41/51/647354151.db2.gz SNLGZLQFKKHONZ-CYBMUJFWSA-N 2 0 264.388 2.688 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925495921 647867065 /nfs/dbraw/zinc/86/70/65/647867065.db2.gz SRUOXTNREZIIOF-QZWWFDLISA-N 2 0 288.435 2.740 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924526901 647987353 /nfs/dbraw/zinc/98/73/53/647987353.db2.gz IDOZZBMRWVLVTQ-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000924526953 647987589 /nfs/dbraw/zinc/98/75/89/647987589.db2.gz IPSKSEHQLXNDJC-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000924529436 647987881 /nfs/dbraw/zinc/98/78/81/647987881.db2.gz PIUGTSNYFFXHPR-MSOLQXFVSA-N 2 0 288.435 2.844 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000924529438 647988141 /nfs/dbraw/zinc/98/81/41/647988141.db2.gz PIUGTSNYFFXHPR-ROUUACIJSA-N 2 0 288.435 2.844 20 0 CFADRP CCC[NH+]1CCC(NC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000924577216 647998663 /nfs/dbraw/zinc/99/86/63/647998663.db2.gz HURIZCJLWFILQF-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924577898 647999339 /nfs/dbraw/zinc/99/93/39/647999339.db2.gz JEMUPNOOJDDKRR-AEFFLSMTSA-N 2 0 293.499 2.739 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C(C)C)N1CCCC1 ZINC000924630442 648012687 /nfs/dbraw/zinc/01/26/87/648012687.db2.gz DATJHISKUZFZGS-BBWFWOEESA-N 2 0 282.472 2.758 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924649026 648018271 /nfs/dbraw/zinc/01/82/71/648018271.db2.gz NUFKTVGJYQUCGW-HUUCEWRRSA-N 2 0 286.423 2.684 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924661570 648021629 /nfs/dbraw/zinc/02/16/29/648021629.db2.gz NPRUQQOGBRYEIO-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000924659563 648021672 /nfs/dbraw/zinc/02/16/72/648021672.db2.gz LUYCIEHJMRGAIU-ABHNRTSZSA-N 2 0 293.499 2.572 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000924682704 648025382 /nfs/dbraw/zinc/02/53/82/648025382.db2.gz WVSKQJKVNYFWEM-HOTGVXAUSA-N 2 0 282.472 2.759 20 0 CFADRP COCCCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924683104 648025812 /nfs/dbraw/zinc/02/58/12/648025812.db2.gz DUCTWAUMQCJFDK-AWEZNQCLSA-N 2 0 264.413 2.825 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000924681796 648025831 /nfs/dbraw/zinc/02/58/31/648025831.db2.gz AJYYABDKKLNSEN-QZTJIDSGSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@H]1OC[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@@H]1C ZINC000924681572 648025852 /nfs/dbraw/zinc/02/58/52/648025852.db2.gz PFNVUTBDVQVXEQ-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]C1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924717420 648034933 /nfs/dbraw/zinc/03/49/33/648034933.db2.gz IXRFYXPVYJMTGS-CYBMUJFWSA-N 2 0 262.397 2.578 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)C[C@@](C)(O)CC)C1 ZINC000924754601 648042929 /nfs/dbraw/zinc/04/29/29/648042929.db2.gz UKHVZWRAHRUQLQ-PMPSAXMXSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000924761011 648043268 /nfs/dbraw/zinc/04/32/68/648043268.db2.gz NGTAGWGTPDBLRT-IAOVAPTHSA-N 2 0 276.424 2.702 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1 ZINC000924829850 648055570 /nfs/dbraw/zinc/05/55/70/648055570.db2.gz SRKHHPCZVZEHDS-YOEHRIQHSA-N 2 0 276.424 2.651 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924855709 648060503 /nfs/dbraw/zinc/06/05/03/648060503.db2.gz XTPHQUWFQFTOTP-KGLIPLIRSA-N 2 0 278.440 2.905 20 0 CFADRP COc1ccnc([C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000924961164 648081054 /nfs/dbraw/zinc/08/10/54/648081054.db2.gz UYKHCOIKQCQUTB-CABCVRRESA-N 2 0 291.439 2.861 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+]C1CCN(OCC)CC1 ZINC000924960737 648081262 /nfs/dbraw/zinc/08/12/62/648081262.db2.gz RJDZVGRBQPBPGD-KRWDZBQOSA-N 2 0 297.487 2.647 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1nc(C(C)(C)C)cs1 ZINC000924968904 648082197 /nfs/dbraw/zinc/08/21/97/648082197.db2.gz FVYANFBLPZNPMK-ODOQXGPZSA-N 2 0 293.480 2.870 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000924988526 648085220 /nfs/dbraw/zinc/08/52/20/648085220.db2.gz BKRIXJBVUMIDNM-MAUKXSAKSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000925114692 648108967 /nfs/dbraw/zinc/10/89/67/648108967.db2.gz RZVCYNXRWPPBTE-NVXWUHKLSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000925146030 648116593 /nfs/dbraw/zinc/11/65/93/648116593.db2.gz CRGFCKGOYIEGPU-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925188157 648127064 /nfs/dbraw/zinc/12/70/64/648127064.db2.gz RQBWVZGZZPVXPI-JKSUJKDBSA-N 2 0 284.488 2.884 20 0 CFADRP CN(C)[C@]1(C[NH2+][C@@H](C2CC2)C(C)(C)C)CCSC1 ZINC000925213496 648132479 /nfs/dbraw/zinc/13/24/79/648132479.db2.gz CSKWIKXNAPMCGK-ZFWWWQNUSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]1C ZINC000925230604 648137519 /nfs/dbraw/zinc/13/75/19/648137519.db2.gz YSWQOUVZEIHJCG-RNONSGAXSA-N 2 0 280.456 2.797 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000925485883 648181431 /nfs/dbraw/zinc/18/14/31/648181431.db2.gz DZKBEEDPTJXTFJ-HZPDHXFCSA-N 3 0 279.472 2.502 20 0 CFADRP c1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925497212 648184145 /nfs/dbraw/zinc/18/41/45/648184145.db2.gz XTCPPQMJWNSZFG-SFHVURJKSA-N 2 0 299.462 2.920 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000925499906 648185242 /nfs/dbraw/zinc/18/52/42/648185242.db2.gz UVOWCFNBIHOWKR-YOEHRIQHSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000925505881 648188953 /nfs/dbraw/zinc/18/89/53/648188953.db2.gz PAFHSLPOMGTOKE-ZWKOTPCHSA-N 2 0 284.403 2.790 20 0 CFADRP CC(C)[NH+](CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925509727 648190543 /nfs/dbraw/zinc/19/05/43/648190543.db2.gz ORFTWVMXNGYYKB-GJZGRUSLSA-N 2 0 269.477 2.601 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925511203 648191734 /nfs/dbraw/zinc/19/17/34/648191734.db2.gz IRRLLRYYCMJHPK-CABCVRRESA-N 2 0 276.449 2.947 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925512194 648192429 /nfs/dbraw/zinc/19/24/29/648192429.db2.gz ANUBNJLQGRVABO-ZIAGYGMSSA-N 2 0 262.397 2.691 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)C12CCC2 ZINC000925512520 648192574 /nfs/dbraw/zinc/19/25/74/648192574.db2.gz FHIPMIDISSSSQK-GJZGRUSLSA-N 2 0 274.383 2.717 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[C@@H]([NH3+])C1 ZINC000925512816 648192634 /nfs/dbraw/zinc/19/26/34/648192634.db2.gz CHNKQXFKQSXFKD-KGLIPLIRSA-N 2 0 250.430 2.918 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000925518005 648195657 /nfs/dbraw/zinc/19/56/57/648195657.db2.gz CQEWEEAJYHMVSV-HZPDHXFCSA-N 2 0 298.434 2.868 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925522021 648197286 /nfs/dbraw/zinc/19/72/86/648197286.db2.gz PUMYLMDMYCNWFC-UONOGXRCSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925521491 648197340 /nfs/dbraw/zinc/19/73/40/648197340.db2.gz CVBSMAVUMQRWKR-KBMXLJTQSA-N 2 0 274.408 2.622 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000925520794 648197539 /nfs/dbraw/zinc/19/75/39/648197539.db2.gz SPZBCOQMMHEYKH-GJZGRUSLSA-N 2 0 264.388 2.864 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925524196 648198592 /nfs/dbraw/zinc/19/85/92/648198592.db2.gz QYORTFOURKLGHP-MROQNXINSA-N 2 0 256.459 2.766 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCc2ccccc2)C12CCC2 ZINC000925524387 648199117 /nfs/dbraw/zinc/19/91/17/648199117.db2.gz SNLNRAFVJXQLLB-HZPDHXFCSA-N 2 0 258.409 2.869 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCOc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925524793 648199694 /nfs/dbraw/zinc/19/96/94/648199694.db2.gz ZMBCGLHGKAYUNG-IXDOHACOSA-N 2 0 288.435 2.822 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925528027 648201270 /nfs/dbraw/zinc/20/12/70/648201270.db2.gz RULMPYUBHDNCHS-SOUVJXGZSA-N 2 0 270.461 2.527 20 0 CFADRP Cc1cccc2oc(CCN[C@@H]3CC[NH2+]C34CCC4)nc21 ZINC000925528442 648201456 /nfs/dbraw/zinc/20/14/56/648201456.db2.gz UEXGSEYYJUHEBL-CQSZACIVSA-N 2 0 285.391 2.553 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[NH2+]C1(C)C)C1CCCC1 ZINC000925530814 648202676 /nfs/dbraw/zinc/20/26/76/648202676.db2.gz VGEDRSSSELCVPP-CABCVRRESA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C12CCC2 ZINC000925534899 648204745 /nfs/dbraw/zinc/20/47/45/648204745.db2.gz RCQPUSZJPIYGHQ-HZPDHXFCSA-N 2 0 287.382 2.709 20 0 CFADRP CCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CC1 ZINC000925533058 648204919 /nfs/dbraw/zinc/20/49/19/648204919.db2.gz IYRYFAMCTYEVEZ-MQVJKMGUSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000925535246 648204928 /nfs/dbraw/zinc/20/49/28/648204928.db2.gz UKDVZVFSOCQBIM-HNNXBMFYSA-N 2 0 275.371 2.580 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925537118 648205348 /nfs/dbraw/zinc/20/53/48/648205348.db2.gz JETVBALKVJPHKK-JYJNAYRXSA-N 2 0 273.424 2.681 20 0 CFADRP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541003 648207711 /nfs/dbraw/zinc/20/77/11/648207711.db2.gz GVAWFNNNHOGKCV-VXLLPVPCSA-N 2 0 279.472 2.514 20 0 CFADRP CCc1noc(CC)c1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925540809 648207781 /nfs/dbraw/zinc/20/77/81/648207781.db2.gz RBTJWSCLKXLDSE-NEPJUHHUSA-N 2 0 279.428 2.795 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925541668 648208026 /nfs/dbraw/zinc/20/80/26/648208026.db2.gz LMBGNQVXVYJFLG-GJZGRUSLSA-N 2 0 276.399 2.963 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925540383 648208102 /nfs/dbraw/zinc/20/81/02/648208102.db2.gz BZSSAMJNWHIKNS-CRWXNKLISA-N 2 0 268.470 2.910 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925542838 648209029 /nfs/dbraw/zinc/20/90/29/648209029.db2.gz PSYOIONIDWQVLY-PIOWNMBXSA-N 2 0 268.445 2.687 20 0 CFADRP COC1CCC(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925542835 648209172 /nfs/dbraw/zinc/20/91/72/648209172.db2.gz PSYOIONIDWQVLY-FUUBYGMNSA-N 2 0 268.445 2.687 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925546681 648211522 /nfs/dbraw/zinc/21/15/22/648211522.db2.gz MHXUAWGYZZPUHP-HOTGVXAUSA-N 2 0 286.419 2.586 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925551125 648212337 /nfs/dbraw/zinc/21/23/37/648212337.db2.gz QMZBPJYFKLHIDS-CVEARBPZSA-N 2 0 274.408 2.623 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925555733 648214743 /nfs/dbraw/zinc/21/47/43/648214743.db2.gz ITLWLMOBKWIEEM-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000925561623 648218005 /nfs/dbraw/zinc/21/80/05/648218005.db2.gz LDFZLJMPVFQRDP-TVXGVJEUSA-N 2 0 292.467 2.798 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000925565647 648220099 /nfs/dbraw/zinc/22/00/99/648220099.db2.gz VPMBLHVSENFQLR-NWDGAFQWSA-N 2 0 268.351 2.960 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCCC1 ZINC000925567479 648220575 /nfs/dbraw/zinc/22/05/75/648220575.db2.gz KOJSORUSJSPBKZ-CVEARBPZSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000925570952 648222404 /nfs/dbraw/zinc/22/24/04/648222404.db2.gz ZNEVJQKJCGJSAR-KRWDZBQOSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H]1Oc2ccccc2[C@@H]1C ZINC000925578471 648225457 /nfs/dbraw/zinc/22/54/57/648225457.db2.gz FGIXIGSQWNZGFY-XBJNOIPFSA-N 2 0 286.419 2.799 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CC[NH2+]C13CCCC3)C2 ZINC000925602465 648235411 /nfs/dbraw/zinc/23/54/11/648235411.db2.gz TYXSPWWPBGSLLX-QGZVFWFLSA-N 2 0 270.420 2.666 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925604663 648235759 /nfs/dbraw/zinc/23/57/59/648235759.db2.gz MRAOAFREHCBDHC-KBXIAJHMSA-N 2 0 268.445 2.543 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1ccccc1 ZINC000925608431 648237780 /nfs/dbraw/zinc/23/77/80/648237780.db2.gz XRVXJAPGGXJBSZ-HYVNUMGLSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1sccc1Br ZINC000925762890 648312439 /nfs/dbraw/zinc/31/24/39/648312439.db2.gz OTLIYRCMTYJPKE-BDAKNGLRSA-N 2 0 291.258 2.769 20 0 CFADRP C[C@@](O)(C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925612121 648238562 /nfs/dbraw/zinc/23/85/62/648238562.db2.gz QJYYOZQDQDHAJS-RBUKOAKNSA-N 2 0 298.430 2.964 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C1CCC(CO)CC1)c1ccccc1 ZINC000925613297 648239970 /nfs/dbraw/zinc/23/99/70/648239970.db2.gz XRVXJAPGGXJBSZ-PREGVCBESA-N 2 0 276.424 2.607 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925619231 648243125 /nfs/dbraw/zinc/24/31/25/648243125.db2.gz YMTDDESBDVIANG-DLBZAZTESA-N 2 0 288.435 2.877 20 0 CFADRP [NH3+]CCC[C@@H](NCc1ncccc1F)c1ccccc1 ZINC000925620547 648244269 /nfs/dbraw/zinc/24/42/69/648244269.db2.gz BOAHKSFXRZEMKB-OAHLLOKOSA-N 2 0 273.355 2.791 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925625636 648246865 /nfs/dbraw/zinc/24/68/65/648246865.db2.gz JAVOJIDXISSNFO-ULQDDVLXSA-N 2 0 296.499 2.787 20 0 CFADRP CC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCOCC1 ZINC000925628062 648247383 /nfs/dbraw/zinc/24/73/83/648247383.db2.gz YBFBMUITTARVHE-MRXNPFEDSA-N 2 0 276.424 2.873 20 0 CFADRP CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925633511 648252141 /nfs/dbraw/zinc/25/21/41/648252141.db2.gz DLIPMFJUFWRQAL-YESZJQIVSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C13CCC3)CCC2 ZINC000925633498 648252219 /nfs/dbraw/zinc/25/22/19/648252219.db2.gz YBFGXOAEUWUZMR-UPJWGTAASA-N 2 0 277.437 2.688 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C13CCC3)CCC2 ZINC000925633495 648252304 /nfs/dbraw/zinc/25/23/04/648252304.db2.gz YBFGXOAEUWUZMR-FRRDWIJNSA-N 2 0 277.437 2.688 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cncc(F)c1 ZINC000925635581 648253421 /nfs/dbraw/zinc/25/34/21/648253421.db2.gz RWZYWQOQDAMGMF-BPNCWPANSA-N 2 0 265.376 2.777 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cncc(F)c1 ZINC000925635584 648254059 /nfs/dbraw/zinc/25/40/59/648254059.db2.gz RWZYWQOQDAMGMF-ZLKJLUDKSA-N 2 0 265.376 2.777 20 0 CFADRP CS[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925637377 648254556 /nfs/dbraw/zinc/25/45/56/648254556.db2.gz JVNKSGABZIIYNG-GRYCIOLGSA-N 2 0 256.459 2.624 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925640968 648257241 /nfs/dbraw/zinc/25/72/41/648257241.db2.gz WSABHMJCJPXSOG-LSDHHAIUSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000925643481 648257839 /nfs/dbraw/zinc/25/78/39/648257839.db2.gz JIQWRRFGROIWNQ-IKGGRYGDSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925645284 648259095 /nfs/dbraw/zinc/25/90/95/648259095.db2.gz PFGGVZCQYIZJHD-SYAUCNOPSA-N 2 0 250.430 2.933 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925648792 648259999 /nfs/dbraw/zinc/25/99/99/648259999.db2.gz GDIQDTZHWCJNNP-NCOXYXGASA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)C12CCC2 ZINC000925650411 648261500 /nfs/dbraw/zinc/26/15/00/648261500.db2.gz UUMAICWQNIQRQM-KGLIPLIRSA-N 2 0 296.361 2.690 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C12CCC2 ZINC000925652960 648262682 /nfs/dbraw/zinc/26/26/82/648262682.db2.gz JFMJRBIDEQYGMN-JQHSSLGASA-N 2 0 299.462 2.763 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000925651912 648262886 /nfs/dbraw/zinc/26/28/86/648262886.db2.gz LDECNEFAWRJQRJ-BMGDILEWSA-N 2 0 287.451 2.681 20 0 CFADRP C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925655102 648264048 /nfs/dbraw/zinc/26/40/48/648264048.db2.gz PSODZVNHEYGDBV-IAGOWNOFSA-N 2 0 291.483 2.658 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000925655521 648265417 /nfs/dbraw/zinc/26/54/17/648265417.db2.gz VRZFAKMSIUJOOX-DOTOQJQBSA-N 2 0 287.451 2.633 20 0 CFADRP FC1(F)CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925660233 648267113 /nfs/dbraw/zinc/26/71/13/648267113.db2.gz KBKNNLWEIMVMAQ-LBPRGKRZSA-N 2 0 258.356 2.686 20 0 CFADRP FC1(F)CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925660231 648267960 /nfs/dbraw/zinc/26/79/60/648267960.db2.gz KBKNNLWEIMVMAQ-GFCCVEGCSA-N 2 0 258.356 2.686 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)C12CCC2 ZINC000925663445 648268758 /nfs/dbraw/zinc/26/87/58/648268758.db2.gz SLINVXYJONFZJY-HZPDHXFCSA-N 2 0 269.392 2.570 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccc3[nH]ccc32)C12CCC2 ZINC000925661514 648268809 /nfs/dbraw/zinc/26/88/09/648268809.db2.gz VPEPMEVHWFFZIB-CVEARBPZSA-N 2 0 269.392 2.570 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)n1 ZINC000925664310 648269653 /nfs/dbraw/zinc/26/96/53/648269653.db2.gz CVJINQOBYGGROL-ZBFHGGJFSA-N 2 0 275.440 2.818 20 0 CFADRP COCC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000925664038 648269674 /nfs/dbraw/zinc/26/96/74/648269674.db2.gz XSCOINGVFRMHNP-INIZCTEOSA-N 2 0 276.424 2.873 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)ccc2[nH]1 ZINC000925670649 648272107 /nfs/dbraw/zinc/27/21/07/648272107.db2.gz MQQIFEOBSWACJK-HZPDHXFCSA-N 2 0 269.392 2.836 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925670153 648272310 /nfs/dbraw/zinc/27/23/10/648272310.db2.gz IWMLVBBWWUNIPV-GVDBMIGSSA-N 2 0 290.451 2.778 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1COc2ccccc21)c1ccccc1 ZINC000925669941 648272647 /nfs/dbraw/zinc/27/26/47/648272647.db2.gz ZERSBMVEAKCXIV-JCKWVBRZSA-N 2 0 282.387 2.841 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc21 ZINC000925674927 648274276 /nfs/dbraw/zinc/27/42/76/648274276.db2.gz FNNCNNWJKHOXIJ-HUUCEWRRSA-N 2 0 286.423 2.569 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000925676974 648275240 /nfs/dbraw/zinc/27/52/40/648275240.db2.gz MTSRHFDFFRHDBT-JKSUJKDBSA-N 3 0 281.488 2.748 20 0 CFADRP COCC1(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925678710 648276283 /nfs/dbraw/zinc/27/62/83/648276283.db2.gz WVSUIWKGYPYERP-ILXRZTDVSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925678903 648276489 /nfs/dbraw/zinc/27/64/89/648276489.db2.gz AJAOLNGPJLCQSU-UKRRQHHQSA-N 2 0 264.413 2.606 20 0 CFADRP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)cc1 ZINC000925678255 648276520 /nfs/dbraw/zinc/27/65/20/648276520.db2.gz UABMBAPFHZZDIN-XIYLBDPKSA-N 2 0 286.394 2.658 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C[C@@H]([NH3+])C1 ZINC000925684122 648278511 /nfs/dbraw/zinc/27/85/11/648278511.db2.gz ZZNFUGSEVYYZCS-TUAOUCFPSA-N 2 0 260.372 2.917 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925685254 648279200 /nfs/dbraw/zinc/27/92/00/648279200.db2.gz LLGNNAJCASXSJP-AGIUHOORSA-N 2 0 272.383 2.788 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000925689290 648281031 /nfs/dbraw/zinc/28/10/31/648281031.db2.gz CFWWIQJUPNDLBB-SFHVURJKSA-N 3 0 294.402 2.904 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925691258 648281472 /nfs/dbraw/zinc/28/14/72/648281472.db2.gz NRDQHAQLJOTWAL-LLLHUVSDSA-N 2 0 286.419 2.658 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccnc1 ZINC000925692654 648282401 /nfs/dbraw/zinc/28/24/01/648282401.db2.gz ORNNCQNYVYVMJZ-GJZGRUSLSA-N 2 0 275.440 2.855 20 0 CFADRP COCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925693709 648282864 /nfs/dbraw/zinc/28/28/64/648282864.db2.gz RDZUOTXAPKBBAG-QLFBSQMISA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925694943 648283953 /nfs/dbraw/zinc/28/39/53/648283953.db2.gz VLURYGMHSKKAIZ-IAGOWNOFSA-N 2 0 273.424 2.648 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[C@@H](C)O1 ZINC000925695564 648284044 /nfs/dbraw/zinc/28/40/44/648284044.db2.gz IBRIXFIWDIHHHC-PVTMVUMOSA-N 2 0 280.456 2.558 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925696098 648284306 /nfs/dbraw/zinc/28/43/06/648284306.db2.gz YXGWBDRNYMZJNN-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]C[C@H](N[C@H]1C[C@H]([NH3+])C12CCC2)c1ccc2ccccc2c1 ZINC000925700243 648285361 /nfs/dbraw/zinc/28/53/61/648285361.db2.gz OIIMPGDUKLARPH-BZSNNMDCSA-N 2 0 295.430 2.699 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000925700049 648285501 /nfs/dbraw/zinc/28/55/01/648285501.db2.gz NAQGQGIUIOIKKY-GDIGMMSISA-N 2 0 295.430 2.552 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CNc2ccccc2C1 ZINC000925702084 648286166 /nfs/dbraw/zinc/28/61/66/648286166.db2.gz KQGLNULLFRAJMF-VFORCBIJSA-N 2 0 285.435 2.519 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC000925701068 648286393 /nfs/dbraw/zinc/28/63/93/648286393.db2.gz VFBJEYWQNMELLP-YXJHDRRASA-N 2 0 286.419 2.585 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925704353 648287275 /nfs/dbraw/zinc/28/72/75/648287275.db2.gz GJSUQIYCWDWBED-HIEASXQVSA-N 3 0 293.499 2.617 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925707199 648289515 /nfs/dbraw/zinc/28/95/15/648289515.db2.gz CYCJQKPXYAZCPY-MSOLQXFVSA-N 3 0 295.515 2.722 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925707201 648289789 /nfs/dbraw/zinc/28/97/89/648289789.db2.gz CYCJQKPXYAZCPY-ROUUACIJSA-N 3 0 295.515 2.722 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC12CCSCC2 ZINC000925709907 648290667 /nfs/dbraw/zinc/29/06/67/648290667.db2.gz VJAGCQOGZRTOBF-OEGGNGQFSA-N 2 0 280.481 2.625 20 0 CFADRP C[C@@]1(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1(F)F ZINC000925712195 648291383 /nfs/dbraw/zinc/29/13/83/648291383.db2.gz WTBUJTSJSLGWCW-NTZNESFSSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)C12CCC2 ZINC000925713938 648292571 /nfs/dbraw/zinc/29/25/71/648292571.db2.gz YQTRAOXYLLSATE-KZNAEPCWSA-N 2 0 296.414 2.733 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCC2)CC(F)(F)F ZINC000925715734 648293816 /nfs/dbraw/zinc/29/38/16/648293816.db2.gz HBBKVGXBIQZPOK-JTQLQIEISA-N 2 0 264.335 2.839 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCC2SCCS2)C[C@@H]([NH3+])C1 ZINC000925715021 648293874 /nfs/dbraw/zinc/29/38/74/648293874.db2.gz BIPKCCIUEASELU-MNOVXSKESA-N 2 0 274.499 2.678 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000925716837 648295213 /nfs/dbraw/zinc/29/52/13/648295213.db2.gz QVSBYBLLMVAEHV-BRWVUGGUSA-N 2 0 293.499 2.604 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCCC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925719454 648296588 /nfs/dbraw/zinc/29/65/88/648296588.db2.gz RZEOQNWGPVEDHY-APIJFGDWSA-N 2 0 262.441 2.933 20 0 CFADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC(C1CCC1)C1CCC1 ZINC000925721630 648297025 /nfs/dbraw/zinc/29/70/25/648297025.db2.gz POTYVDDSGOABGW-CMIRHGDUSA-N 2 0 292.467 2.545 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@H]2C[C@H]2C1 ZINC000925719059 648297188 /nfs/dbraw/zinc/29/71/88/648297188.db2.gz QKCAXWUHMRRDGA-JTTNIQEDSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@H]2C[C@H]2C1 ZINC000925719061 648297216 /nfs/dbraw/zinc/29/72/16/648297216.db2.gz QKCAXWUHMRRDGA-YMSVYLFOSA-N 2 0 250.430 2.918 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925719456 648297231 /nfs/dbraw/zinc/29/72/31/648297231.db2.gz RZEOQNWGPVEDHY-LJISPDSOSA-N 2 0 262.441 2.933 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1([C@@H]2CCCCO2)CCC1 ZINC000925723240 648297985 /nfs/dbraw/zinc/29/79/85/648297985.db2.gz SQZCZNFQWKKEHX-CABCVRRESA-N 2 0 278.440 2.600 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCS1 ZINC000925722601 648298352 /nfs/dbraw/zinc/29/83/52/648298352.db2.gz MHLYBKSXPITNHL-HKGGGCDWSA-N 2 0 268.470 2.768 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1([C@@H]2CCCCO2)CCC1 ZINC000925723241 648298488 /nfs/dbraw/zinc/29/84/88/648298488.db2.gz SQZCZNFQWKKEHX-GJZGRUSLSA-N 2 0 278.440 2.600 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726813 648300131 /nfs/dbraw/zinc/30/01/31/648300131.db2.gz WLAAPEUQSVCMQI-DLBZAZTESA-N 3 0 289.467 2.834 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925732020 648301961 /nfs/dbraw/zinc/30/19/61/648301961.db2.gz WLQPUJUEABDYGL-CHWSQXEVSA-N 2 0 256.434 2.545 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000925733592 648302314 /nfs/dbraw/zinc/30/23/14/648302314.db2.gz KNPJLOUFZFFFAF-JJXSEGSLSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000925736720 648303583 /nfs/dbraw/zinc/30/35/83/648303583.db2.gz NTYDHZWKAPJIBW-RWMBFGLXSA-N 2 0 260.372 2.790 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000925738563 648304692 /nfs/dbraw/zinc/30/46/92/648304692.db2.gz YXZQGRKMHZZGPI-REWJHTLYSA-N 2 0 272.383 2.790 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1(CC)CC ZINC000925740004 648305476 /nfs/dbraw/zinc/30/54/76/648305476.db2.gz FYGXVVIEQAAQJP-CHWSQXEVSA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000925740329 648305625 /nfs/dbraw/zinc/30/56/25/648305625.db2.gz IXJCJLBMWNOTIX-GFCCVEGCSA-N 2 0 254.324 2.669 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000925758695 648310173 /nfs/dbraw/zinc/31/01/73/648310173.db2.gz GNPRVYXGMALPFO-ZDUSSCGKSA-N 2 0 274.408 2.886 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000925764311 648311097 /nfs/dbraw/zinc/31/10/97/648311097.db2.gz YBONCQUSOOSMAP-ZJUUUORDSA-N 2 0 289.242 2.523 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1sccc1Br ZINC000925762894 648312148 /nfs/dbraw/zinc/31/21/48/648312148.db2.gz OTLIYRCMTYJPKE-IUCAKERBSA-N 2 0 291.258 2.769 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000925769801 648314501 /nfs/dbraw/zinc/31/45/01/648314501.db2.gz RFOROHMLZNQVEH-DYEKYZERSA-N 2 0 278.396 2.624 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925774433 648316927 /nfs/dbraw/zinc/31/69/27/648316927.db2.gz NUSNXSGEFUCOLE-LJISPDSOSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775006 648317747 /nfs/dbraw/zinc/31/77/47/648317747.db2.gz BQPPRDUEANTLDG-HIFRSBDPSA-N 2 0 280.362 2.817 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC000925778944 648320068 /nfs/dbraw/zinc/32/00/68/648320068.db2.gz VIYWHWWOMBWTJE-HNNXBMFYSA-N 2 0 294.389 2.768 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925780744 648321429 /nfs/dbraw/zinc/32/14/29/648321429.db2.gz VJCKEUPWKNTSAA-WFASDCNBSA-N 2 0 280.362 2.817 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000925785881 648322753 /nfs/dbraw/zinc/32/27/53/648322753.db2.gz PTIJHQNTARMOOV-WPGHFRTFSA-N 2 0 262.372 2.722 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000925784509 648323150 /nfs/dbraw/zinc/32/31/50/648323150.db2.gz RKWGFIIRGYWUTB-XOKHGSTOSA-N 2 0 258.409 2.514 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000925790631 648323947 /nfs/dbraw/zinc/32/39/47/648323947.db2.gz JJQWFVMTMBZEPX-SUNKGSAMSA-N 2 0 280.412 2.808 20 0 CFADRP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1SC ZINC000925792152 648325207 /nfs/dbraw/zinc/32/52/07/648325207.db2.gz UMHLEYSNBXPOIG-DYEKYZERSA-N 2 0 294.464 2.923 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925791826 648325371 /nfs/dbraw/zinc/32/53/71/648325371.db2.gz SNMDDAZGUSZLSE-YCPHGPKFSA-N 2 0 276.424 2.982 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000925801652 648327223 /nfs/dbraw/zinc/32/72/23/648327223.db2.gz WEJZPFHGESAUON-FRFSOERESA-N 2 0 258.409 2.899 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800522 648327317 /nfs/dbraw/zinc/32/73/17/648327317.db2.gz SJKUALSYKKBGMB-VNHYZAJKSA-N 2 0 262.397 2.591 20 0 CFADRP CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCC[NH2+]1 ZINC000925802275 648327367 /nfs/dbraw/zinc/32/73/67/648327367.db2.gz KPDILMAVXXACCE-CHZLEKFTSA-N 2 0 268.470 2.781 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cnn(-c2ccccc2)c1 ZINC000925801753 648327538 /nfs/dbraw/zinc/32/75/38/648327538.db2.gz WZXAYCQKHJWGIP-OWCLPIDISA-N 2 0 298.434 2.769 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000925802958 648327922 /nfs/dbraw/zinc/32/79/22/648327922.db2.gz KQHZNFZQXBZEPJ-KGYLQXTDSA-N 2 0 252.427 2.953 20 0 CFADRP CSC1CCC(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000925803380 648328160 /nfs/dbraw/zinc/32/81/60/648328160.db2.gz YTHKZWQZPGPTNG-PPWQZUPISA-N 2 0 270.486 2.886 20 0 CFADRP CSC1CCC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925802357 648328379 /nfs/dbraw/zinc/32/83/79/648328379.db2.gz MKOSKXUJNDNEMC-WXRRBKDZSA-N 2 0 256.459 2.638 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805915 648329022 /nfs/dbraw/zinc/32/90/22/648329022.db2.gz WSAGQUKPRIVRQL-GOEBONIOSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H](C)O1 ZINC000925806374 648329191 /nfs/dbraw/zinc/32/91/91/648329191.db2.gz CNNXYMXCBDREKH-FMKPAKJESA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806508 648329334 /nfs/dbraw/zinc/32/93/34/648329334.db2.gz FDSKJRHUDZLSKG-GOEBONIOSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccco1 ZINC000925807657 648330026 /nfs/dbraw/zinc/33/00/26/648330026.db2.gz GZUVJMJTLSZYPF-HNNXBMFYSA-N 2 0 299.418 2.536 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806509 648330306 /nfs/dbraw/zinc/33/03/06/648330306.db2.gz FDSKJRHUDZLSKG-HOCLYGCPSA-N 2 0 268.445 2.561 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809458 648330811 /nfs/dbraw/zinc/33/08/11/648330811.db2.gz VSEZJQUUBSNIDQ-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP COC[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)C(C)C ZINC000925809464 648330868 /nfs/dbraw/zinc/33/08/68/648330868.db2.gz VSSYXHFJESTQQH-INIZCTEOSA-N 2 0 270.461 2.807 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccoc1 ZINC000925809595 648331311 /nfs/dbraw/zinc/33/13/11/648331311.db2.gz RRBGFMSJVQEOHR-HNNXBMFYSA-N 2 0 299.418 2.536 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2c[nH]c(=O)c3ccccc23)C1 ZINC000925813509 648331619 /nfs/dbraw/zinc/33/16/19/648331619.db2.gz UPBSKOANCXFEMB-KBPBESRZSA-N 2 0 299.418 2.936 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc21 ZINC000925813751 648331694 /nfs/dbraw/zinc/33/16/94/648331694.db2.gz WJDFOKCHPMRXFG-OWCLPIDISA-N 2 0 298.434 2.584 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cnc3ccccc3c2)C1 ZINC000925834326 648338158 /nfs/dbraw/zinc/33/81/58/648338158.db2.gz VSNBREGNHVTXAN-JKSUJKDBSA-N 2 0 269.392 2.637 20 0 CFADRP Cc1nc2c(cccc2CCN[C@@H]2CC[NH2+]C23CCCC3)o1 ZINC000925838941 648340265 /nfs/dbraw/zinc/34/02/65/648340265.db2.gz PCGVQOGSLYUFCA-MRXNPFEDSA-N 2 0 299.418 2.943 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000925839558 648340454 /nfs/dbraw/zinc/34/04/54/648340454.db2.gz RIZSTCLXBXMULK-SWLSCSKDSA-N 2 0 287.407 2.656 20 0 CFADRP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000925838467 648340514 /nfs/dbraw/zinc/34/05/14/648340514.db2.gz MEFRSAJWCATYNZ-ILXRZTDVSA-N 2 0 280.362 2.767 20 0 CFADRP CCC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCC1 ZINC000925846722 648343123 /nfs/dbraw/zinc/34/31/23/648343123.db2.gz OYUIYAUTJWRHCD-QGZVFWFLSA-N 2 0 281.488 2.620 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1(C)C ZINC000925846591 648343282 /nfs/dbraw/zinc/34/32/82/648343282.db2.gz QWUPACWYNNDWQE-JYYAWHABSA-N 2 0 280.456 2.700 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCSC3(CCC3)C2)CC1 ZINC000925861451 648347891 /nfs/dbraw/zinc/34/78/91/648347891.db2.gz PVLWAKKPWDXZTH-WXRRBKDZSA-N 2 0 254.443 2.664 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCc2cccnc21 ZINC000925871747 648350674 /nfs/dbraw/zinc/35/06/74/648350674.db2.gz GPZMDSGXFOSIKD-WJTFHPDPSA-N 2 0 271.408 2.565 20 0 CFADRP Cn1nc(C2CC2)cc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925874277 648351944 /nfs/dbraw/zinc/35/19/44/648351944.db2.gz RBMYAKSSMKQWTM-DOTOQJQBSA-N 2 0 282.391 2.532 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000925877148 648352977 /nfs/dbraw/zinc/35/29/77/648352977.db2.gz MNQNTACRUYEECZ-FMKPAKJESA-N 2 0 284.407 2.650 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000925877920 648353196 /nfs/dbraw/zinc/35/31/96/648353196.db2.gz YIHSHOXWAYKTDZ-MCIONIFRSA-N 2 0 292.423 2.790 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)ccc1F ZINC000925883966 648355202 /nfs/dbraw/zinc/35/52/02/648355202.db2.gz ZQOHSKHYTAGWGB-WZRBSPASSA-N 2 0 266.360 2.612 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000926113083 648407624 /nfs/dbraw/zinc/40/76/24/648407624.db2.gz BXBSWKUUXUUZSE-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926113515 648407634 /nfs/dbraw/zinc/40/76/34/648407634.db2.gz GTDNORGPTQNAMQ-GOEBONIOSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cn2c(n1)CCCC2 ZINC000926113934 648408257 /nfs/dbraw/zinc/40/82/57/648408257.db2.gz JXEVXZDLRGIBEI-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926115129 648408374 /nfs/dbraw/zinc/40/83/74/648408374.db2.gz SCKYGWATHLUKPE-NSHDSACASA-N 2 0 265.401 2.674 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000926224603 648440109 /nfs/dbraw/zinc/44/01/09/648440109.db2.gz IUJOOTCIQRDKQT-RDJZCZTQSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000926231168 648442620 /nfs/dbraw/zinc/44/26/20/648442620.db2.gz AUFWHSRFZQZBTM-KLEKCWPYSA-N 2 0 290.382 2.579 20 0 CFADRP C[C@@H]([NH2+]CCOC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926257572 648449660 /nfs/dbraw/zinc/44/96/60/648449660.db2.gz BQOCAXUWAQZPGP-LLVKDONJSA-N 2 0 290.329 2.935 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000926284914 648455074 /nfs/dbraw/zinc/45/50/74/648455074.db2.gz ZFZTXDMKEVKHFG-UHFFFAOYSA-N 2 0 260.372 2.884 20 0 CFADRP C([NH2+][C@H](C1CC1)C1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000926307716 648458750 /nfs/dbraw/zinc/45/87/50/648458750.db2.gz LGMPJMFNTJQVGH-GOSISDBHSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000926380116 648475445 /nfs/dbraw/zinc/47/54/45/648475445.db2.gz LMQBZQMHOMGEES-AWEZNQCLSA-N 2 0 286.423 2.641 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1(Br)CC1 ZINC000926543690 648527030 /nfs/dbraw/zinc/52/70/30/648527030.db2.gz XDPLERCYEMBDCA-WAAKLRNESA-N 2 0 287.245 2.517 20 0 CFADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568395 648536952 /nfs/dbraw/zinc/53/69/52/648536952.db2.gz XMRKLHZFRIINMX-DOTOQJQBSA-N 2 0 287.407 2.755 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@H]2CCCO)C1 ZINC000926574123 648539041 /nfs/dbraw/zinc/53/90/41/648539041.db2.gz SFTCADRGARRBAN-IKGGRYGDSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000926573550 648539446 /nfs/dbraw/zinc/53/94/46/648539446.db2.gz NLIPARLWVSVJBL-KBPBESRZSA-N 2 0 290.407 2.798 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926605575 648550186 /nfs/dbraw/zinc/55/01/86/648550186.db2.gz FTDGOIBFILPLAI-RDHHWEPZSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926646030 648560522 /nfs/dbraw/zinc/56/05/22/648560522.db2.gz UAPQMGBGXLIZLV-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926692685 648577931 /nfs/dbraw/zinc/57/79/31/648577931.db2.gz JJPVFVWNXJRYQC-KGLIPLIRSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926710084 648585959 /nfs/dbraw/zinc/58/59/59/648585959.db2.gz ASQOPHNYMDYQFT-WMLDXEAASA-N 2 0 290.451 2.807 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000926729208 648594260 /nfs/dbraw/zinc/59/42/60/648594260.db2.gz VNXUPVKFBQRRBR-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000926744317 648599709 /nfs/dbraw/zinc/59/97/09/648599709.db2.gz IFXWMPIPDHGTGP-IIAWOOMASA-N 2 0 280.456 2.654 20 0 CFADRP COC(C)(C)CC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926799310 648621595 /nfs/dbraw/zinc/62/15/95/648621595.db2.gz QSUBGIRYUPKVOX-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP COC1(OC)CC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926889237 648646221 /nfs/dbraw/zinc/64/62/21/648646221.db2.gz OHBXXUUJAGTJRW-HWOWSKLDSA-N 2 0 296.455 2.525 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO[C@H]1C ZINC000926889406 648647040 /nfs/dbraw/zinc/64/70/40/648647040.db2.gz PVHINJWWRIOJID-QAXWGOSPSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)C1CC[NH+](C)CC1 ZINC000926923961 648660188 /nfs/dbraw/zinc/66/01/88/648660188.db2.gz UJCSILLLNKWXGD-UONOGXRCSA-N 2 0 288.435 2.830 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000927037187 648689627 /nfs/dbraw/zinc/68/96/27/648689627.db2.gz LWHCPPKUULLQEW-HWOWSKLDSA-N 2 0 278.440 2.695 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036410 648689811 /nfs/dbraw/zinc/68/98/11/648689811.db2.gz BPLAAKIFVRNUDY-YGONEPDPSA-N 2 0 276.428 2.776 20 0 CFADRP C([NH2+]C1CC2(C1)CCCC2)[C@H]1CCN1C1CCOCC1 ZINC000927101049 648712106 /nfs/dbraw/zinc/71/21/06/648712106.db2.gz CXCKCXOBMNQLJL-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000927134401 648723347 /nfs/dbraw/zinc/72/33/47/648723347.db2.gz JHYRIPQYWSXHGQ-NWANDNLSSA-N 2 0 277.412 2.508 20 0 CFADRP CC(C)[NH+]1CCC(N(C)CCSc2ccncc2)CC1 ZINC000929471393 649055313 /nfs/dbraw/zinc/05/53/13/649055313.db2.gz UVGWCNZYWYEJEB-UHFFFAOYSA-N 2 0 293.480 2.978 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000929747465 649109697 /nfs/dbraw/zinc/10/96/97/649109697.db2.gz CZXAFYZGHVWHFG-HZPDHXFCSA-N 2 0 270.461 2.569 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCc2cccnc2)CC1 ZINC000929776938 649117890 /nfs/dbraw/zinc/11/78/90/649117890.db2.gz BRKIKNMFFNUVFG-UHFFFAOYSA-N 2 0 275.440 2.820 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](COC)C(C)C)CC1 ZINC000929777197 649117942 /nfs/dbraw/zinc/11/79/42/649117942.db2.gz IHZZTWPBEROSHZ-HNNXBMFYSA-N 2 0 270.461 2.711 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000929779158 649120253 /nfs/dbraw/zinc/12/02/53/649120253.db2.gz DYDUELVXNKOSFK-NRKLIOEPSA-N 2 0 282.472 2.995 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cccc(F)c3)CC[C@H]21 ZINC000929842938 649136589 /nfs/dbraw/zinc/13/65/89/649136589.db2.gz FSASDJISLWDABV-NVXWUHKLSA-N 2 0 276.399 2.784 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)C[C@H](O)c1cccc(C)c1 ZINC000930060140 649175031 /nfs/dbraw/zinc/17/50/31/649175031.db2.gz KFJPCIKJJBTMPU-KRWDZBQOSA-N 2 0 287.407 2.555 20 0 CFADRP Cc1nnsc1[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930310448 649227366 /nfs/dbraw/zinc/22/73/66/649227366.db2.gz ZAODBZMRTSMWNK-CYBMUJFWSA-N 2 0 294.468 2.715 20 0 CFADRP CC1CC(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)C1 ZINC000930310186 649227501 /nfs/dbraw/zinc/22/75/01/649227501.db2.gz SMOKLPGNYZTWGU-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP CC[C@H](CO)[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000930373753 649239504 /nfs/dbraw/zinc/23/95/04/649239504.db2.gz LTFNRKKPBUQXGK-HUUCEWRRSA-N 2 0 296.480 2.581 20 0 CFADRP Cc1ccc(CC[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931357104 649414613 /nfs/dbraw/zinc/41/46/13/649414613.db2.gz SKOCTODWMANSRF-UHFFFAOYSA-N 2 0 260.425 2.954 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435054 649426467 /nfs/dbraw/zinc/42/64/67/649426467.db2.gz FKBDPZXWPNWYOQ-OWCLPIDISA-N 2 0 258.409 2.940 20 0 CFADRP CCc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436767 649426657 /nfs/dbraw/zinc/42/66/57/649426657.db2.gz MQQTXWFIXYTEHY-DLBZAZTESA-N 2 0 258.409 2.633 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCCc1cccnc1)CC2 ZINC000931465903 649434648 /nfs/dbraw/zinc/43/46/48/649434648.db2.gz AHQANXBBCWGVCC-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP Cc1nnsc1[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931466597 649434912 /nfs/dbraw/zinc/43/49/12/649434912.db2.gz FEYYSHFLSBYUMH-ZDUSSCGKSA-N 2 0 294.468 2.715 20 0 CFADRP Nc1cc[nH+]c2c1CN(C[C@H]1CCCC3(CCC3)O1)CC2 ZINC000931516364 649445547 /nfs/dbraw/zinc/44/55/47/649445547.db2.gz MIIWNAVDDHYPCG-CYBMUJFWSA-N 2 0 287.407 2.514 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2CCc3nccc(N)c3C2)C1 ZINC000931518228 649446414 /nfs/dbraw/zinc/44/64/14/649446414.db2.gz JFCLLZZLTRLQBT-CHWSQXEVSA-N 2 0 259.397 2.848 20 0 CFADRP CC[C@H](CO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000931773302 649488025 /nfs/dbraw/zinc/48/80/25/649488025.db2.gz QLSVWYXSIWOWKZ-QGZVFWFLSA-N 2 0 276.424 2.533 20 0 CFADRP CC[C@@H](CO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000931773301 649488150 /nfs/dbraw/zinc/48/81/50/649488150.db2.gz QLSVWYXSIWOWKZ-KRWDZBQOSA-N 2 0 276.424 2.533 20 0 CFADRP C[NH+](C)CCc1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000931808426 649493292 /nfs/dbraw/zinc/49/32/92/649493292.db2.gz GAAINASIKDYNJN-UHFFFAOYSA-N 2 0 291.439 2.507 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931912924 649508458 /nfs/dbraw/zinc/50/84/58/649508458.db2.gz CBMRHPFCARUTPS-NWDGAFQWSA-N 2 0 294.336 2.837 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933083907 649670820 /nfs/dbraw/zinc/67/08/20/649670820.db2.gz LNHHUYSOWCQSKK-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccccc1CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933739881 649718363 /nfs/dbraw/zinc/71/83/63/649718363.db2.gz NPRUNCGDUWLZPV-MSOLQXFVSA-N 2 0 272.436 2.811 20 0 CFADRP CSc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737468 649718392 /nfs/dbraw/zinc/71/83/92/649718392.db2.gz PZUARMNJSKZQAT-GOEBONIOSA-N 2 0 276.449 2.792 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4ncccc34)C[C@]2(C)C1 ZINC000933734456 649718704 /nfs/dbraw/zinc/71/87/04/649718704.db2.gz QFMKSQSQDUGMPR-QAPCUYQASA-N 2 0 281.403 2.618 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696804 649816652 /nfs/dbraw/zinc/81/66/52/649816652.db2.gz UZFCVOOURPCBAM-CVEARBPZSA-N 2 0 259.397 2.607 20 0 CFADRP Cc1cc2[nH]ccc2c(N2CC[NH+](CC(C)C)CC2)[nH+]1 ZINC001164654681 719334625 /nfs/dbraw/zinc/33/46/25/719334625.db2.gz UGVUAOBHACHWQV-UHFFFAOYSA-N 2 0 272.396 2.649 20 0 CFADRP Cc1cc2[nH]ccc2c(N(C)CC2CC[NH+](C)CC2)[nH+]1 ZINC001165041397 721934602 /nfs/dbraw/zinc/93/46/02/721934602.db2.gz UOXFIROVQOPVCK-UHFFFAOYSA-N 2 0 272.396 2.649 20 0 CFADRP COc1cc[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165045853 721965360 /nfs/dbraw/zinc/96/53/60/721965360.db2.gz CFVPADRESRTDNR-OAHLLOKOSA-N 2 0 289.423 2.935 20 0 CFADRP Cc1cc[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC000716301047 782205740 /nfs/dbraw/zinc/20/57/40/782205740.db2.gz XXMGVSAZNHCWGV-UHFFFAOYSA-N 2 0 267.376 2.934 20 0 CFADRP CC[N@H+](CCn1ccnc1)Cc1cc(Br)co1 ZINC001232856686 777694922 /nfs/dbraw/zinc/69/49/22/777694922.db2.gz YSIWWLOBGZEWJF-UHFFFAOYSA-N 2 0 298.184 2.761 20 0 CFADRP Oc1ccc(-c2ccc(CN3CCC[NH2+]CC3)cc2)cc1 ZINC001204684612 777930705 /nfs/dbraw/zinc/93/07/05/777930705.db2.gz KQSJGNVOIYQXEO-UHFFFAOYSA-N 2 0 282.387 2.855 20 0 CFADRP C[C@@H]1CC[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H](C)C1 ZINC001235819623 778567251 /nfs/dbraw/zinc/56/72/51/778567251.db2.gz GBJIXASBJRHZIF-KGLIPLIRSA-N 2 0 250.430 2.887 20 0 CFADRP CCC1CC[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001206761281 769847546 /nfs/dbraw/zinc/84/75/46/769847546.db2.gz VXWPOGRIWAALGD-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP C[NH+](C)CC1(C[N@@H+]2CCC[C@@]3(CCOC3)C2)CCCC1 ZINC001208183711 769895009 /nfs/dbraw/zinc/89/50/09/769895009.db2.gz FHYTURCZCQRZIG-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH+]2CCC(Oc3ccccc3)CC2)C1 ZINC001208605992 769909814 /nfs/dbraw/zinc/90/98/14/769909814.db2.gz CUSXTSLHKWJKJI-INIZCTEOSA-N 2 0 288.435 2.872 20 0 CFADRP [NH3+]C[C@H]1CCCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC000705558488 769997573 /nfs/dbraw/zinc/99/75/73/769997573.db2.gz BBNIWFGDGDIQJV-GFCCVEGCSA-N 2 0 275.371 2.868 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721425266 770187151 /nfs/dbraw/zinc/18/71/51/770187151.db2.gz ZQNDUEHRJSZZJS-NSHDSACASA-N 2 0 284.391 2.875 20 0 CFADRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)oc1C ZINC001204532716 770395432 /nfs/dbraw/zinc/39/54/32/770395432.db2.gz GLGROKIBUKWHHU-UHFFFAOYSA-N 2 0 262.397 2.814 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721445275 770434785 /nfs/dbraw/zinc/43/47/85/770434785.db2.gz DJWBUFCQRPMXIT-STQMWFEESA-N 2 0 294.361 2.560 20 0 CFADRP C[NH2+]Cc1ccc(Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC001211129027 770441617 /nfs/dbraw/zinc/44/16/17/770441617.db2.gz OHURPUTUOICFEI-UHFFFAOYSA-N 2 0 256.353 2.611 20 0 CFADRP C[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C1(C[NH3+])CCCCC1 ZINC000721477217 770554268 /nfs/dbraw/zinc/55/42/68/770554268.db2.gz ODKQLUFYEHWORZ-VXGBXAGGSA-N 2 0 294.361 2.690 20 0 CFADRP CC1(C)Cc2cccc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)c2O1 ZINC000723701467 770653083 /nfs/dbraw/zinc/65/30/83/770653083.db2.gz FYEMIGJHNRVEBQ-CYBMUJFWSA-N 2 0 274.408 2.571 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccccc2)C[C@H]1CC[NH3+] ZINC000723886029 770706918 /nfs/dbraw/zinc/70/69/18/770706918.db2.gz GGEDZOCXFNMGAB-ZIAGYGMSSA-N 2 0 264.438 2.695 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)s1 ZINC000723896293 770708936 /nfs/dbraw/zinc/70/89/36/770708936.db2.gz ZFWGYWDBBKXOKU-ZWNOBZJWSA-N 2 0 252.427 2.782 20 0 CFADRP C[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H]1CC[NH3+] ZINC000723907807 770710357 /nfs/dbraw/zinc/71/03/57/770710357.db2.gz DTMREUMDLYAUIZ-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@@H]([NH2+][C@H](C1CC1)C1CCCC1)C1CC[NH2+]CC1 ZINC000723963548 770722522 /nfs/dbraw/zinc/72/25/22/770722522.db2.gz HTQIWDOSXCYTHB-WBMJQRKESA-N 2 0 250.430 2.933 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723980560 770734308 /nfs/dbraw/zinc/73/43/08/770734308.db2.gz OMBFNUGTYXHCPP-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C[C@H](C)O1 ZINC000724256507 770832077 /nfs/dbraw/zinc/83/20/77/770832077.db2.gz QDZKTORQKSRVQW-AURRFLRISA-N 2 0 268.445 2.795 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000690743372 770938504 /nfs/dbraw/zinc/93/85/04/770938504.db2.gz ZQHUOHQBKRVVHB-GFCCVEGCSA-N 2 0 283.213 2.620 20 0 CFADRP CC[N@H+]1CC=C(c2cnc(-n3cccc3C[NH3+])c(C)c2)CC1 ZINC001167586658 770941968 /nfs/dbraw/zinc/94/19/68/770941968.db2.gz RCMFLGWKNPCZAT-UHFFFAOYSA-N 2 0 296.418 2.748 20 0 CFADRP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2[nH]c(N)[nH+]c2c1 ZINC001167624641 773195410 /nfs/dbraw/zinc/19/54/10/773195410.db2.gz CHRZMPPRRXPKHH-UHFFFAOYSA-N 2 0 287.411 2.630 20 0 CFADRP C(CC1SCCS1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000693779074 773248963 /nfs/dbraw/zinc/24/89/63/773248963.db2.gz CPJDTGYYWPEONB-AVGNSLFASA-N 2 0 286.510 2.693 20 0 CFADRP C[C@H]([NH2+]CCC1SCCS1)C1CC[NH+](C)CC1 ZINC000693792033 775134838 /nfs/dbraw/zinc/13/48/38/775134838.db2.gz TUSWZRNMNWQNHZ-NSHDSACASA-N 2 0 274.499 2.503 20 0 CFADRP CSCCCCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405403592 775208087 /nfs/dbraw/zinc/20/80/87/775208087.db2.gz KYGMLTJGYJHDFD-CHWSQXEVSA-N 2 0 256.459 2.769 20 0 CFADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC[C@H]1CCCC[NH+]1C)C2 ZINC001224706478 775254000 /nfs/dbraw/zinc/25/40/00/775254000.db2.gz KRKSBFRRYWNQQJ-TWMKSMIVSA-N 2 0 280.456 2.891 20 0 CFADRP C[N@@H+]1CC[C@@H](OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001224832772 775284949 /nfs/dbraw/zinc/28/49/49/775284949.db2.gz XCKRHJAHPXGPEO-ZWKOTPCHSA-N 2 0 288.435 2.619 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)[C@H]1CC[NH3+] ZINC000694000546 775335588 /nfs/dbraw/zinc/33/55/88/775335588.db2.gz OGNOYNYYLPMBQT-WBMJQRKESA-N 2 0 272.396 2.512 20 0 CFADRP C[NH+](C)Cc1ccc(OC2C[NH+](C(C)(C)C)C2)cc1 ZINC001225329505 775413480 /nfs/dbraw/zinc/41/34/80/775413480.db2.gz CJYNSWMVLAQCTP-UHFFFAOYSA-N 2 0 262.397 2.610 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225331983 775415258 /nfs/dbraw/zinc/41/52/58/775415258.db2.gz HHXISKZLFCCRHF-KRWDZBQOSA-N 2 0 276.424 3.000 20 0 CFADRP CC[NH+]1C[C@H]2CN(Cc3coc4ccccc34)C[C@@H]2C1 ZINC001140785873 775476749 /nfs/dbraw/zinc/47/67/49/775476749.db2.gz AGTFXDFTPGEJIH-KBPBESRZSA-N 2 0 270.376 2.816 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCC2(CCC[NH2+]2)CC1 ZINC001226785440 775962477 /nfs/dbraw/zinc/96/24/77/775962477.db2.gz UJHYSNATDQJKKF-UHFFFAOYSA-N 2 0 279.472 2.517 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC2(CC2)CC1 ZINC000695745045 775973356 /nfs/dbraw/zinc/97/33/56/775973356.db2.gz QHRSBLKYUDWQSK-HRCADAONSA-N 2 0 262.441 2.935 20 0 CFADRP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C)CC2)cn1 ZINC001207487755 776031217 /nfs/dbraw/zinc/03/12/17/776031217.db2.gz QLPRCUDFNDRISO-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP CC(C)(C)Oc1cccc(C[NH+]2CCC(F)(C[NH3+])CC2)n1 ZINC001222533420 776167748 /nfs/dbraw/zinc/16/77/48/776167748.db2.gz YJEREERLIHHSKZ-UHFFFAOYSA-N 2 0 295.402 2.522 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093463708 776347490 /nfs/dbraw/zinc/34/74/90/776347490.db2.gz WMKQWXPBBJXWES-XQQFMLRXSA-N 2 0 252.427 2.799 20 0 CFADRP COc1ccc(NC(=[NH2+])SCC[NH3+])cc1C(F)(F)F ZINC001167913924 776519857 /nfs/dbraw/zinc/51/98/57/776519857.db2.gz GXGQAEBMTIZZTC-UHFFFAOYSA-N 2 0 293.314 2.753 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000399410460 776531618 /nfs/dbraw/zinc/53/16/18/776531618.db2.gz KFGAPEBVNAKWGF-WDEREUQCSA-N 2 0 265.228 2.631 20 0 CFADRP CCCCN1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167824741 776543557 /nfs/dbraw/zinc/54/35/57/776543557.db2.gz GEAOBJFHTNESQO-QGZVFWFLSA-N 2 0 283.504 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)C1CCOCC1 ZINC001167826583 776547986 /nfs/dbraw/zinc/54/79/86/776547986.db2.gz QTOSQGLCDWZEAW-HNNXBMFYSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC(=O)OC)C1CCCC1 ZINC001167836774 776587787 /nfs/dbraw/zinc/58/77/87/776587787.db2.gz GZKIABXAVDUSDO-HNNXBMFYSA-N 2 0 298.471 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001167838087 776588254 /nfs/dbraw/zinc/58/82/54/776588254.db2.gz PNDMNIDEWGMCGQ-HRCADAONSA-N 2 0 298.471 2.770 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)n1nc(C)c(CC[NH2+]C)c1C ZINC001167837212 776588865 /nfs/dbraw/zinc/58/88/65/776588865.db2.gz JIRFXDIFEQOTOI-CQSZACIVSA-N 2 0 294.487 2.945 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N2CC(F)C2)CC1 ZINC001167838215 776589483 /nfs/dbraw/zinc/58/94/83/776589483.db2.gz RWLVCDXGARYSRD-HNNXBMFYSA-N 2 0 299.478 2.615 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001167838201 776589533 /nfs/dbraw/zinc/58/95/33/776589533.db2.gz RMUOTAYEZHYTHD-KBPBESRZSA-N 2 0 254.418 2.550 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC001167838717 776590528 /nfs/dbraw/zinc/59/05/28/776590528.db2.gz WIUZYNWPXPHGMH-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001167839498 776590928 /nfs/dbraw/zinc/59/09/28/776590928.db2.gz YKXNRYYCEGEZIZ-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]12CCOC2 ZINC001167839454 776591493 /nfs/dbraw/zinc/59/14/93/776591493.db2.gz XTIHYTQLRVAJRP-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@@H]1CCC2(C1)OCCO2 ZINC001167840966 776602427 /nfs/dbraw/zinc/60/24/27/776602427.db2.gz IUKNWKVOVSJJNZ-JKSUJKDBSA-N 2 0 298.471 2.724 20 0 CFADRP CCOC(=O)C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1CC1 ZINC001167841904 776609636 /nfs/dbraw/zinc/60/96/36/776609636.db2.gz UHIDKZKESLRPPX-AWEZNQCLSA-N 2 0 284.444 2.524 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001167842464 776613450 /nfs/dbraw/zinc/61/34/50/776613450.db2.gz XWFAPXNHYKHIPJ-IAGOWNOFSA-N 3 0 281.488 2.525 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000337249167 776689670 /nfs/dbraw/zinc/68/96/70/776689670.db2.gz JDWJQOQESFXCDN-WLYUNCDWSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C1CCC([NH+]2CC3(C2)CCC[NH2+]C3)CC1 ZINC000709848629 776783340 /nfs/dbraw/zinc/78/33/40/776783340.db2.gz GJQMLDBNXJQYDX-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167915397 776851961 /nfs/dbraw/zinc/85/19/61/776851961.db2.gz BNZNHRFVXRWFPN-QLPKVWCKSA-N 2 0 288.410 2.960 20 0 CFADRP [NH2+]=C(Nc1cccc(-n2cccc2)c1)SCC[NH3+] ZINC001167915343 776852042 /nfs/dbraw/zinc/85/20/42/776852042.db2.gz SVHBUQQKMNHVJQ-UHFFFAOYSA-N 2 0 260.366 2.516 20 0 CFADRP C[C@@H](c1cccc(O[C@@H]2C[NH+]3CCC2CC3)c1)[NH+](C)C ZINC001229627418 776858587 /nfs/dbraw/zinc/85/85/87/776858587.db2.gz QEWQJTHWDONDLN-SUMWQHHRSA-N 2 0 274.408 2.782 20 0 CFADRP C[C@@H](c1cccc(O[C@H]2CCC[N@H+](C)C2)c1)[NH+](C)C ZINC001229628798 776860439 /nfs/dbraw/zinc/86/04/39/776860439.db2.gz XDTYVIOFQHPMOO-BBRMVZONSA-N 2 0 262.397 2.782 20 0 CFADRP C[NH+](C)CCc1ccc(OC2CCN(CCF)CC2)cc1 ZINC001229657299 776867391 /nfs/dbraw/zinc/86/73/91/776867391.db2.gz KBQNANRNAUVWNE-UHFFFAOYSA-N 2 0 294.414 2.603 20 0 CFADRP CC1CCC([NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092874352 776912386 /nfs/dbraw/zinc/91/23/86/776912386.db2.gz ITWVAUSRHZWEQR-UHFFFAOYSA-N 2 0 259.397 2.782 20 0 CFADRP CC[N@@H+]1CCC[C@@H](Oc2ccc(-n3ccnc3)cc2)C1 ZINC001229953593 776922931 /nfs/dbraw/zinc/92/29/31/776922931.db2.gz BPXPENYLRPOQDW-MRXNPFEDSA-N 2 0 271.364 2.735 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709971980 776949767 /nfs/dbraw/zinc/94/97/67/776949767.db2.gz QLNIVPXFDLCZSS-YOEHRIQHSA-N 2 0 276.399 2.832 20 0 CFADRP Fc1ccc(CC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1F ZINC001204727887 776974415 /nfs/dbraw/zinc/97/44/15/776974415.db2.gz UQHXUKPJBBVNGA-UHFFFAOYSA-N 2 0 294.389 2.973 20 0 CFADRP C[C@@]1([NH3+])CCCN(CCCc2cccc(F)c2)C1 ZINC001204940414 776977840 /nfs/dbraw/zinc/97/78/40/776977840.db2.gz XFHFLFYVUAKAIS-OAHLLOKOSA-N 2 0 250.361 2.572 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167938576 776984900 /nfs/dbraw/zinc/98/49/00/776984900.db2.gz FQVWRZRWTFHZJO-ZSHCYNCHSA-N 2 0 250.430 2.837 20 0 CFADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@H]1C ZINC000710015365 777001425 /nfs/dbraw/zinc/00/14/25/777001425.db2.gz NEPMZCOXDSQSSR-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP FC[C@@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC000711410059 777202074 /nfs/dbraw/zinc/20/20/74/777202074.db2.gz QISTVJPHNHFFNI-AWEZNQCLSA-N 2 0 256.409 2.980 20 0 CFADRP CC[NH+](CC)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959467 777282840 /nfs/dbraw/zinc/28/28/40/777282840.db2.gz QCZKCIQKXLEWBD-AYHJJNSGSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1ccc(O)cc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277544920 777288922 /nfs/dbraw/zinc/28/89/22/777288922.db2.gz CFEMEERJPKZPOD-UHFFFAOYSA-N 2 0 274.408 2.618 20 0 CFADRP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167960339 777296341 /nfs/dbraw/zinc/29/63/41/777296341.db2.gz YCQYPIVHYLZDBR-AYHJJNSGSA-N 2 0 285.435 2.619 20 0 CFADRP C[N@H+](C1CCC([NH3+])CC1)[C@H]1CCc2cc(F)ccc2C1 ZINC001168406773 777338565 /nfs/dbraw/zinc/33/85/65/777338565.db2.gz IMWLHGFLJLBHJE-JCYILVPMSA-N 2 0 276.399 2.885 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCO1 ZINC001167965471 777405741 /nfs/dbraw/zinc/40/57/41/777405741.db2.gz HAOUVQNQVGSSON-XYTVBORESA-N 2 0 292.467 2.939 20 0 CFADRP OCC[C@@H]1CC12CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232011370 777411277 /nfs/dbraw/zinc/41/12/77/777411277.db2.gz CIISCNGATPQLQD-CQSZACIVSA-N 2 0 285.391 2.547 20 0 CFADRP c1cnn(C2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001232017499 777414723 /nfs/dbraw/zinc/41/47/23/777414723.db2.gz SUYDOEOZRKEONX-UHFFFAOYSA-N 2 0 281.363 2.597 20 0 CFADRP C[Si](C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167967851 777425698 /nfs/dbraw/zinc/42/56/98/777425698.db2.gz JPJCVCQNFAVGFR-GOOCMWNKSA-N 2 0 266.505 2.859 20 0 CFADRP O[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167969334 777431276 /nfs/dbraw/zinc/43/12/76/777431276.db2.gz BJUKBDOEFVHQJP-AJYUKVHDSA-N 2 0 292.467 2.533 20 0 CFADRP [NH3+]CCc1cccn1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970878 777433422 /nfs/dbraw/zinc/43/34/22/777433422.db2.gz PFTRIUASXAWPSK-SJPCQFCGSA-N 2 0 273.424 2.567 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCO1 ZINC001167975356 777443433 /nfs/dbraw/zinc/44/34/33/777443433.db2.gz NUJHMIKQMTULFQ-WZLLPPPOSA-N 2 0 278.440 2.549 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001232145541 777451045 /nfs/dbraw/zinc/45/10/45/777451045.db2.gz BABOAOQKZQPNFV-QGZVFWFLSA-N 2 0 292.398 2.642 20 0 CFADRP CC(C)O[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232148905 777451436 /nfs/dbraw/zinc/45/14/36/777451436.db2.gz GSCXTZXHWCYCGH-QGZVFWFLSA-N 2 0 294.414 2.887 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccnc3c(F)cccc13)CC2 ZINC001232213441 777476591 /nfs/dbraw/zinc/47/65/91/777476591.db2.gz IJYQZFRKOOESFS-UHFFFAOYSA-N 2 0 299.393 2.902 20 0 CFADRP CC(C)(O)[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995304 777529881 /nfs/dbraw/zinc/52/98/81/777529881.db2.gz ZPPNVZRCINXVHB-WFVVYAPDSA-N 2 0 292.467 2.627 20 0 CFADRP c1[nH]nc2c1[C@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000340474658 777555904 /nfs/dbraw/zinc/55/59/04/777555904.db2.gz SZKDQBYSJDXIKZ-OAHLLOKOSA-N 2 0 276.428 2.643 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001203437430 777556477 /nfs/dbraw/zinc/55/64/77/777556477.db2.gz ANWDTHGKQRBMGI-UHFFFAOYSA-N 2 0 274.408 2.613 20 0 CFADRP C[C@@H]1C[C@@H](n2cnc(C[NH3+])c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005840 777577009 /nfs/dbraw/zinc/57/70/09/777577009.db2.gz KNRQQMVGMLKHJI-JLVBRIDZSA-N 2 0 298.434 2.956 20 0 CFADRP COCC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168005823 777577664 /nfs/dbraw/zinc/57/76/64/777577664.db2.gz KNMGGLHBTPLGNG-HUUCEWRRSA-N 2 0 276.424 2.664 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000696594334 777588680 /nfs/dbraw/zinc/58/86/80/777588680.db2.gz APJFDBARNCTNTR-QJPTWQEYSA-N 2 0 260.372 2.646 20 0 CFADRP CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012198 777625700 /nfs/dbraw/zinc/62/57/00/777625700.db2.gz XWIPWAXBKIYAEG-CYGHRXIMSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015216 777647307 /nfs/dbraw/zinc/64/73/07/777647307.db2.gz PPERTPQXSVVHDZ-HEHIAAGKSA-N 2 0 288.435 2.541 20 0 CFADRP C[C@@H]1C[C@@H](NC2CC([NH3+])C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024745 777711013 /nfs/dbraw/zinc/71/10/13/777711013.db2.gz IMVBGDKOTWSTPS-XDKSHKPFSA-N 2 0 287.451 2.507 20 0 CFADRP Cc1ncc(CN2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001233366797 777913748 /nfs/dbraw/zinc/91/37/48/777913748.db2.gz SOHGBGMCRZANML-HNNXBMFYSA-N 2 0 277.412 2.823 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(N)cc3Cl)C2)CC1 ZINC001233376304 777920841 /nfs/dbraw/zinc/92/08/41/777920841.db2.gz BRHLZIUXHXBKLQ-UHFFFAOYSA-N 2 0 293.842 2.840 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094030 778030017 /nfs/dbraw/zinc/03/00/17/778030017.db2.gz RFOQPQNFDAUUFC-RRCSTGOVSA-N 2 0 266.429 2.678 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094029 778030329 /nfs/dbraw/zinc/03/03/29/778030329.db2.gz RFOQPQNFDAUUFC-DARAHFNDSA-N 2 0 266.429 2.678 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168104434 778048221 /nfs/dbraw/zinc/04/82/21/778048221.db2.gz UPVPDOHXAJOKNW-CAOSSQGBSA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@H](C)[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277805936 778067629 /nfs/dbraw/zinc/06/76/29/778067629.db2.gz AYUFHNFTBFGXDR-HNNXBMFYSA-N 2 0 290.455 2.886 20 0 CFADRP C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCO1 ZINC001168128010 778117625 /nfs/dbraw/zinc/11/76/25/778117625.db2.gz LMUWVPUUKVEOQG-BRWVUGGUSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CCO1 ZINC001168129494 778121802 /nfs/dbraw/zinc/12/18/02/778121802.db2.gz YLAXXSVKVSQSCY-PBHICJAKSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](Oc2cccc3c2CC[NH+](C)C3)C1 ZINC001234421270 778221528 /nfs/dbraw/zinc/22/15/28/778221528.db2.gz CMMKEVBXQWGUSZ-HNNXBMFYSA-N 2 0 274.408 2.536 20 0 CFADRP C[N@@H+]1CCc2c(cccc2O[C@@H]2CCC[NH+](C)CC2)C1 ZINC001234419491 778222012 /nfs/dbraw/zinc/22/20/12/778222012.db2.gz CGDCWAJGVCQMEG-OAHLLOKOSA-N 2 0 274.408 2.538 20 0 CFADRP CC1(Nc2cc(C[NH+]3CCCCC3)ccn2)CC[NH2+]CC1 ZINC001168183358 778224194 /nfs/dbraw/zinc/22/41/94/778224194.db2.gz FBCBGNJZOUNKJN-UHFFFAOYSA-N 2 0 288.439 2.622 20 0 CFADRP CC1(Nc2ccc(C3([NH3+])CCC3)cc2)CC[NH2+]CC1 ZINC001168185135 778226805 /nfs/dbraw/zinc/22/68/05/778226805.db2.gz FMNBPJUWWVZREU-UHFFFAOYSA-N 2 0 259.397 2.579 20 0 CFADRP Cc1ccc(NC2(C)CC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC001168189036 778233091 /nfs/dbraw/zinc/23/30/91/778233091.db2.gz KKYPDVAZEBNTNV-UHFFFAOYSA-N 2 0 261.413 2.611 20 0 CFADRP CC1CCC([NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C)CC1 ZINC001168203143 778250572 /nfs/dbraw/zinc/25/05/72/778250572.db2.gz DXMAUSLOVXNNIO-RUXDESIVSA-N 2 0 299.459 2.744 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C2 ZINC001168241409 778267058 /nfs/dbraw/zinc/26/70/58/778267058.db2.gz IRSCJLPMMUSNNR-AQFXKWCLSA-N 2 0 288.435 2.625 20 0 CFADRP Fc1cccc2c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cccc12 ZINC001234979333 778345497 /nfs/dbraw/zinc/34/54/97/778345497.db2.gz DKNXLUAWUZZMHP-OKILXGFUSA-N 2 0 270.351 2.630 20 0 CFADRP CCOc1ccc(C)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234992591 778347185 /nfs/dbraw/zinc/34/71/85/778347185.db2.gz LEQDBHYIMSGOLZ-GOSISDBHSA-N 2 0 288.435 2.969 20 0 CFADRP CCOc1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)ccc1F ZINC001234998278 778348970 /nfs/dbraw/zinc/34/89/70/778348970.db2.gz HGAIGRRDCSWQLT-QGZVFWFLSA-N 2 0 292.398 2.800 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235005231 778351191 /nfs/dbraw/zinc/35/11/91/778351191.db2.gz CCBBFILTZBBPDF-GOSISDBHSA-N 2 0 288.435 2.505 20 0 CFADRP CN(C)c1ccc2cc(CN3CC[C@H]4[NH2+]C[C@H]4C3)ccc2c1 ZINC001235029849 778358617 /nfs/dbraw/zinc/35/86/17/778358617.db2.gz APCAIYCVFAXLPI-PKOBYXMFSA-N 2 0 295.430 2.700 20 0 CFADRP C[NH2+][C@@]12CC[C@@]([NH2+]CCC(=O)c3ccccc3)(C1)CCC2 ZINC001277917637 778359341 /nfs/dbraw/zinc/35/93/41/778359341.db2.gz ZBFIMRPHKMTSPA-ZWKOTPCHSA-N 2 0 286.419 2.914 20 0 CFADRP CC/C=C\CCCCCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054360 778367192 /nfs/dbraw/zinc/36/71/92/778367192.db2.gz WRYRKKCCRLEIRH-LIMHQNJXSA-N 2 0 279.472 2.540 20 0 CFADRP COc1cc(C)c(CN2CCC[C@@]23CC[NH2+]C3)c(C)c1C ZINC001235110691 778383694 /nfs/dbraw/zinc/38/36/94/778383694.db2.gz LOUXEIXZLBPADQ-SFHVURJKSA-N 2 0 288.435 2.948 20 0 CFADRP c1ccn(-c2ccccc2CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC001235112359 778384288 /nfs/dbraw/zinc/38/42/88/778384288.db2.gz WYOMLVRCKLXLKD-SFHVURJKSA-N 2 0 281.403 2.805 20 0 CFADRP c1cc2c(c(C[NH+]3CCC4(CC[NH2+]CC4)CC3)c1)CCN2 ZINC001235132238 778394988 /nfs/dbraw/zinc/39/49/88/778394988.db2.gz HVCLDLQMRZLQKC-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP c1ccc2c(c1)CCC21CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001235152400 778399056 /nfs/dbraw/zinc/39/90/56/778399056.db2.gz MPZHAPWKNYDXDI-MRXNPFEDSA-N 2 0 284.447 2.966 20 0 CFADRP C[NH+](C)CC1(CN2CCCC[C@@]23CCC[NH2+]C3)CCCC1 ZINC001235175510 778403574 /nfs/dbraw/zinc/40/35/74/778403574.db2.gz WVTXHBZEMIMDCS-SFHVURJKSA-N 2 0 293.499 2.717 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC001235185429 778405372 /nfs/dbraw/zinc/40/53/72/778405372.db2.gz UJKDQORUDFPPRJ-OLZOCXBDSA-N 2 0 264.438 2.742 20 0 CFADRP CCOc1cc[nH+]c(N2CCC([NH3+])(CC3CCC3)CC2)c1 ZINC001161571274 778408506 /nfs/dbraw/zinc/40/85/06/778408506.db2.gz DVJRUKZQTPSKLQ-UHFFFAOYSA-N 2 0 289.423 2.968 20 0 CFADRP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193891 778408976 /nfs/dbraw/zinc/40/89/76/778408976.db2.gz SARVJQVWFGQORJ-BZUAXINKSA-N 2 0 250.430 2.910 20 0 CFADRP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235192892 778409819 /nfs/dbraw/zinc/40/98/19/778409819.db2.gz GQJPZQRLCYCDBD-JYYAWHABSA-N 2 0 290.838 2.985 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC(C)(C)C ZINC001235194609 778410690 /nfs/dbraw/zinc/41/06/90/778410690.db2.gz ZJXBPSPTVCMQHH-RBSFLKMASA-N 2 0 252.446 2.990 20 0 CFADRP C[NH+](C)C1CCC(NC(=[NH2+])c2cc(F)cc(F)c2)CC1 ZINC001168295057 778411080 /nfs/dbraw/zinc/41/10/80/778411080.db2.gz RTNOLVGKMNVJDJ-UHFFFAOYSA-N 2 0 281.350 2.753 20 0 CFADRP COc1ccc(F)c(F)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298264 778411481 /nfs/dbraw/zinc/41/14/81/778411481.db2.gz JHGQDEYSAPBZPO-UHFFFAOYSA-N 2 0 298.377 2.936 20 0 CFADRP C[NH+](C)C1CCC(N2C[C@@H](CC[NH3+])c3ccccc32)CC1 ZINC001168298452 778411660 /nfs/dbraw/zinc/41/16/60/778411660.db2.gz VCDPNQCJLXCXFK-QQFBHYJXSA-N 2 0 287.451 2.812 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168295256 778411718 /nfs/dbraw/zinc/41/17/18/778411718.db2.gz ZOYCYICZIMELKS-OQSMONGASA-N 3 0 295.515 2.817 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC001168298375 778411914 /nfs/dbraw/zinc/41/19/14/778411914.db2.gz PTHMFUAZTWSKDR-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP Cc1ccc(Cl)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235199193 778412466 /nfs/dbraw/zinc/41/24/66/778412466.db2.gz UVDAOXJGRMGGPA-TZMCWYRMSA-N 2 0 264.800 2.690 20 0 CFADRP C[NH+](C)C1CCC(n2cc3cc(C[NH3+])ccc3n2)CC1 ZINC001168297927 778412637 /nfs/dbraw/zinc/41/26/37/778412637.db2.gz PCUMIIUTESCGFO-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)nc1 ZINC001168298196 778413292 /nfs/dbraw/zinc/41/32/92/778413292.db2.gz DOWVQTGSFIPXBU-NFOMZHRRSA-N 2 0 261.413 2.913 20 0 CFADRP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3CCc3ccccc3)C[C@H]21 ZINC001235211025 778416473 /nfs/dbraw/zinc/41/64/73/778416473.db2.gz SSPRNXADTFKWGP-PMOLBWCYSA-N 2 0 292.426 2.861 20 0 CFADRP Cn1c2ccccc2c2cc(C[N@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)ccc21 ZINC001235211050 778416908 /nfs/dbraw/zinc/41/69/08/778416908.db2.gz TXOHSSMUPFPTOM-MNZLEMJZSA-N 2 0 291.398 2.720 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C(C)(C)Cc2ccccn2)CC1 ZINC001168304912 778418671 /nfs/dbraw/zinc/41/86/71/778418671.db2.gz ATMUJIOIRGZGLD-UHFFFAOYSA-N 2 0 275.440 2.865 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(c3cccnc3)CC2)CC1 ZINC001168304331 778418805 /nfs/dbraw/zinc/41/88/05/778418805.db2.gz WQEDVYXIQBNEGJ-UHFFFAOYSA-N 2 0 259.397 2.533 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ccccc2)C(C)(C)O)CC1 ZINC001168305185 778419377 /nfs/dbraw/zinc/41/93/77/778419377.db2.gz LGASNEAZSKNCJB-JCYILVPMSA-N 2 0 290.451 2.961 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235224479 778420248 /nfs/dbraw/zinc/42/02/48/778420248.db2.gz MGLULBMHGARLKM-ROUUACIJSA-N 2 0 299.462 2.718 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235228118 778422031 /nfs/dbraw/zinc/42/20/31/778422031.db2.gz IFFKEMYSYZNWPE-INIZCTEOSA-N 2 0 277.412 2.646 20 0 CFADRP Fc1cncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235227304 778422052 /nfs/dbraw/zinc/42/20/52/778422052.db2.gz GCGNGOXONAASKI-MRXNPFEDSA-N 2 0 277.387 2.575 20 0 CFADRP CC(C)CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225009 778422069 /nfs/dbraw/zinc/42/20/69/778422069.db2.gz QQJUEGSNLOSYNL-RYUDHWBXSA-N 2 0 264.335 2.506 20 0 CFADRP Cc1ccncc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235229166 778422458 /nfs/dbraw/zinc/42/24/58/778422458.db2.gz OOJUTLXVIXINMG-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1)C1CCOCC1 ZINC001235231150 778422572 /nfs/dbraw/zinc/42/25/72/778422572.db2.gz COUSOHFXOSKCCS-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP Fc1ncccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232279 778424320 /nfs/dbraw/zinc/42/43/20/778424320.db2.gz XJNLLTFCEPMPIG-OAHLLOKOSA-N 2 0 277.387 2.575 20 0 CFADRP C[NH+](C)C1CCC(N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001168314263 778425898 /nfs/dbraw/zinc/42/58/98/778425898.db2.gz AGSSFIXGXLJZGK-UHFFFAOYSA-N 2 0 293.499 2.810 20 0 CFADRP c1nc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c2ccccn12 ZINC001235238696 778427140 /nfs/dbraw/zinc/42/71/40/778427140.db2.gz GZZSQHHIJRZBMU-INIZCTEOSA-N 2 0 298.434 2.688 20 0 CFADRP Cc1ccc([C@@H](C)CCN2C[C@H]3CCC[C@@]3([NH3+])C2)o1 ZINC001235241006 778428405 /nfs/dbraw/zinc/42/84/05/778428405.db2.gz PFXWYJUKDLLZEJ-JGGQBBKZSA-N 2 0 262.397 2.895 20 0 CFADRP CCc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)nc1 ZINC001235239595 778428444 /nfs/dbraw/zinc/42/84/44/778428444.db2.gz KNUIXPIAIMGDIQ-GOSISDBHSA-N 2 0 287.451 2.998 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001168324668 778432355 /nfs/dbraw/zinc/43/23/55/778432355.db2.gz UGOILVPMFVXSKU-WLYUNCDWSA-N 2 0 296.455 2.523 20 0 CFADRP Cc1cnc2c(c1)C[N@H+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168328294 778434427 /nfs/dbraw/zinc/43/44/27/778434427.db2.gz DJHWULKDFGFNLD-UHFFFAOYSA-N 2 0 273.424 2.621 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2cccccc1-2 ZINC001235273373 778441421 /nfs/dbraw/zinc/44/14/21/778441421.db2.gz RUPOQUCQDPDKEJ-FUHWJXTLSA-N 2 0 266.388 2.975 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2cccccc1-2 ZINC001235273377 778441797 /nfs/dbraw/zinc/44/17/97/778441797.db2.gz RUPOQUCQDPDKEJ-WMZOPIPTSA-N 2 0 266.388 2.975 20 0 CFADRP CC(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235283465 778442564 /nfs/dbraw/zinc/44/25/64/778442564.db2.gz OYQFMCCXLQZZQJ-RUGDWHBFSA-N 2 0 272.436 2.878 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1)CC(C)(C)C ZINC001235336793 778458216 /nfs/dbraw/zinc/45/82/16/778458216.db2.gz BBDGILUPGQZWBM-UONOGXRCSA-N 2 0 252.446 2.990 20 0 CFADRP CN(CCc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001235342023 778460353 /nfs/dbraw/zinc/46/03/53/778460353.db2.gz GKVRJHOZBFHAHQ-CYBMUJFWSA-N 2 0 270.779 2.705 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc(C)c1Cl ZINC001235341595 778460677 /nfs/dbraw/zinc/46/06/77/778460677.db2.gz REMSOFBTYYRLNE-CQSZACIVSA-N 2 0 278.827 2.998 20 0 CFADRP [NH3+]Cc1cccc2c1cnn2C1CC[NH+](CC2CC2)CC1 ZINC001168357944 778464711 /nfs/dbraw/zinc/46/47/11/778464711.db2.gz NBAVPDXPCFMRFX-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@@H+](CCC2CC2)C3)cc1 ZINC001235349099 778465247 /nfs/dbraw/zinc/46/52/47/778465247.db2.gz LRDGXPJSYCNRPB-QZTJIDSGSA-N 2 0 270.420 2.866 20 0 CFADRP CCC[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235362157 778468740 /nfs/dbraw/zinc/46/87/40/778468740.db2.gz LRBRLECNXUNPRX-SJORKVTESA-N 2 0 258.409 2.650 20 0 CFADRP CC(C)C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380465 778471492 /nfs/dbraw/zinc/47/14/92/778471492.db2.gz WBBSBTGFODRSDI-SJORKVTESA-N 2 0 258.409 2.722 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC000721255888 778475466 /nfs/dbraw/zinc/47/54/66/778475466.db2.gz TWTMEPGWLVDTJX-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399780 778475994 /nfs/dbraw/zinc/47/59/94/778475994.db2.gz BJIVYFBMCRIIIS-IRXDYDNUSA-N 2 0 276.399 2.773 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1NCC2 ZINC001235421462 778486255 /nfs/dbraw/zinc/48/62/55/778486255.db2.gz CANOUAHGWSZHIQ-QZTJIDSGSA-N 2 0 299.462 2.866 20 0 CFADRP CCc1cccc(C)c1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001235431787 778487785 /nfs/dbraw/zinc/48/77/85/778487785.db2.gz CLPDOWWPQHRUHS-UHFFFAOYSA-N 2 0 260.425 2.989 20 0 CFADRP [NH3+]CCc1cn(C2CC[NH+](CC3CC3)CC2)c2cccnc12 ZINC001168360931 778487992 /nfs/dbraw/zinc/48/79/92/778487992.db2.gz XROVRJLCORVVOE-UHFFFAOYSA-N 2 0 298.434 2.584 20 0 CFADRP Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235432407 778488092 /nfs/dbraw/zinc/48/80/92/778488092.db2.gz XLWKEWKPCHEDMF-KGLIPLIRSA-N 2 0 292.398 2.743 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697879445 778491300 /nfs/dbraw/zinc/49/13/00/778491300.db2.gz YPHBGASJQISMIZ-OLZOCXBDSA-N 2 0 252.377 2.687 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)Cc1ccccc1F)[NH+](C)C ZINC000697879449 778491399 /nfs/dbraw/zinc/49/13/99/778491399.db2.gz YPHBGASJQISMIZ-QWHCGFSZSA-N 2 0 252.377 2.687 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697877383 778491588 /nfs/dbraw/zinc/49/15/88/778491588.db2.gz HTMLUUVFGMSTBA-STQMWFEESA-N 2 0 252.377 2.687 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001235529800 778512973 /nfs/dbraw/zinc/51/29/73/778512973.db2.gz BVYQMVHRKXDSFF-ZWKOTPCHSA-N 2 0 288.435 2.764 20 0 CFADRP Cc1ccccc1O[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001235673839 778531472 /nfs/dbraw/zinc/53/14/72/778531472.db2.gz IJXBSOBZZOVBID-QGZVFWFLSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccccc1O[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC001235675821 778533298 /nfs/dbraw/zinc/53/32/98/778533298.db2.gz UKNGCKPDVONLOI-MRXNPFEDSA-N 2 0 276.424 2.967 20 0 CFADRP COCC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235689097 778537924 /nfs/dbraw/zinc/53/79/24/778537924.db2.gz XMGJKTJHNXCKDA-SFHVURJKSA-N 2 0 288.435 2.723 20 0 CFADRP CCCCC[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001235691473 778539808 /nfs/dbraw/zinc/53/98/08/778539808.db2.gz RZMKSYGTABTKCI-UHFFFAOYSA-N 2 0 287.451 2.598 20 0 CFADRP C[C@@H](CCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000697937592 778551094 /nfs/dbraw/zinc/55/10/94/778551094.db2.gz TZZZVEITOPGVAB-FUHWJXTLSA-N 2 0 289.467 2.581 20 0 CFADRP CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CC1(C)CC[NH2+]CC1 ZINC001235774214 778556213 /nfs/dbraw/zinc/55/62/13/778556213.db2.gz PDIPGDXZFVXPGP-AWEZNQCLSA-N 2 0 296.455 2.572 20 0 CFADRP c1ccc([C@H]2c3ccccc3CC[N@H+]2CC2C[NH2+]C2)cc1 ZINC001235795751 778561062 /nfs/dbraw/zinc/56/10/62/778561062.db2.gz PSDGYYBPJNOOQW-IBGZPJMESA-N 2 0 278.399 2.854 20 0 CFADRP COc1cccc(CC[N@H+](C)CC[C@H]2CCCC[NH2+]2)c1 ZINC001235840507 778575691 /nfs/dbraw/zinc/57/56/91/778575691.db2.gz ODXNEEVUDRANNR-MRXNPFEDSA-N 2 0 276.424 2.702 20 0 CFADRP Cc1c(Cl)ccc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)c1C ZINC001235842578 778576769 /nfs/dbraw/zinc/57/67/69/778576769.db2.gz OZRGNKDMMBYYDG-CYBMUJFWSA-N 2 0 266.816 2.998 20 0 CFADRP c1cc2n(c1C[N@@H+]1CCC[C@@H]3CCCC[C@@H]31)CC[NH2+]C2 ZINC001235867330 778585647 /nfs/dbraw/zinc/58/56/47/778585647.db2.gz OMLFAFCWGFFZOV-YOEHRIQHSA-N 2 0 273.424 2.746 20 0 CFADRP Cc1cccc(C)c1-c1cccc(CN(CC[NH3+])CC[NH3+])c1 ZINC001235879973 778588507 /nfs/dbraw/zinc/58/85/07/778588507.db2.gz HXWKKEPWQANERS-UHFFFAOYSA-N 2 0 297.446 2.690 20 0 CFADRP Cc1cc(F)cc(C)c1CN1C[C@@H]([NH3+])CC[C@H]1C ZINC001235893366 778593594 /nfs/dbraw/zinc/59/35/94/778593594.db2.gz RWMIUYQHXUWAJJ-OCCSQVGLSA-N 2 0 250.361 2.754 20 0 CFADRP COC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)[C@@H]1C ZINC001235892475 778593622 /nfs/dbraw/zinc/59/36/22/778593622.db2.gz RKIVMMBQJZIMCH-GDBMZVCRSA-N 2 0 296.455 2.572 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929049 778612815 /nfs/dbraw/zinc/61/28/15/778612815.db2.gz GOGFYICPUPVCKA-HOTGVXAUSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1OC(C)C ZINC001235935356 778616878 /nfs/dbraw/zinc/61/68/78/778616878.db2.gz DJSOYTZRLFHDAL-DOTOQJQBSA-N 2 0 288.435 2.824 20 0 CFADRP CC(C)c1ccccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235937051 778618360 /nfs/dbraw/zinc/61/83/60/778618360.db2.gz HVONLFLASFHOSD-GDBMZVCRSA-N 2 0 258.409 2.851 20 0 CFADRP CC(C)Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235941664 778618932 /nfs/dbraw/zinc/61/89/32/778618932.db2.gz WUQAEYZLMOGJIV-QZTJIDSGSA-N 2 0 272.436 2.926 20 0 CFADRP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235941663 778618971 /nfs/dbraw/zinc/61/89/71/778618971.db2.gz WUQAEYZLMOGJIV-MSOLQXFVSA-N 2 0 272.436 2.926 20 0 CFADRP CC[C@@H]1CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001235949381 778624061 /nfs/dbraw/zinc/62/40/61/778624061.db2.gz HRSBUJXECPWXPU-MRXNPFEDSA-N 2 0 287.451 2.718 20 0 CFADRP Fc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC001168368328 778626143 /nfs/dbraw/zinc/62/61/43/778626143.db2.gz INBWUGWJTWAKBE-GOSISDBHSA-N 2 0 288.410 2.757 20 0 CFADRP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CCCC[NH3+] ZINC001235963919 778632451 /nfs/dbraw/zinc/63/24/51/778632451.db2.gz YASGSYATHXNAQC-CABCVRRESA-N 2 0 256.434 2.989 20 0 CFADRP Clc1ccc(O[C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC001235974437 778635083 /nfs/dbraw/zinc/63/50/83/778635083.db2.gz ROOLFYKDNSBAQM-BBRMVZONSA-N 2 0 294.826 2.793 20 0 CFADRP CC(C)C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975184 778635395 /nfs/dbraw/zinc/63/53/95/778635395.db2.gz YQJTXTQGDSUAAK-UHFFFAOYSA-N 2 0 258.409 2.779 20 0 CFADRP C[C@H]1C[C@@H]1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974620 778635501 /nfs/dbraw/zinc/63/55/01/778635501.db2.gz PUQIVTOSAGHHGP-GOEBONIOSA-N 2 0 270.420 2.779 20 0 CFADRP CC[C@H](C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236007557 778651920 /nfs/dbraw/zinc/65/19/20/778651920.db2.gz WFYJRVCBHPJTBV-UAGQMJEPSA-N 2 0 258.409 2.506 20 0 CFADRP Fc1cccc(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236012464 778654379 /nfs/dbraw/zinc/65/43/79/778654379.db2.gz LXVUBVIZBNUKPB-MJGOQNOKSA-N 2 0 296.389 2.799 20 0 CFADRP c1csc([C@@H]2C[NH2+]CCN2CCC[NH+]2CCCCC2)c1 ZINC001236112428 778698546 /nfs/dbraw/zinc/69/85/46/778698546.db2.gz FLEQPEOJLOSSSP-HNNXBMFYSA-N 2 0 293.480 2.570 20 0 CFADRP CCC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373686 778700471 /nfs/dbraw/zinc/70/04/71/778700471.db2.gz SKITYLOPXMPFKR-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1CCC1C[NH2+]C1 ZINC001236189756 778730446 /nfs/dbraw/zinc/73/04/46/778730446.db2.gz MVXGRRWCCKHDKE-KRWDZBQOSA-N 2 0 269.392 2.914 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](OCC)C2)C1 ZINC000721241269 778740980 /nfs/dbraw/zinc/74/09/80/778740980.db2.gz VURYDJMOCGHVGX-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CCS2 ZINC001236239008 778749072 /nfs/dbraw/zinc/74/90/72/778749072.db2.gz DOQVWYOCSBIOCC-CQSZACIVSA-N 2 0 276.449 2.984 20 0 CFADRP CC[N@@H+](CCc1ccc(OC)cc1)CC[C@H]1CCC[NH2+]C1 ZINC001236303933 778768941 /nfs/dbraw/zinc/76/89/41/778768941.db2.gz WEBFWQYQJWNIGM-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP CN(CC[N@H+](C)Cc1ccccc1)C[C@@H]([NH3+])c1ccccc1 ZINC001236306958 778769832 /nfs/dbraw/zinc/76/98/32/778769832.db2.gz HEGKXHLMSPSPLX-LJQANCHMSA-N 2 0 297.446 2.750 20 0 CFADRP Fc1ccccc1CCC[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314175 778772840 /nfs/dbraw/zinc/77/28/40/778772840.db2.gz JFRIIXBGTGFKAG-IYBDPMFKSA-N 2 0 276.399 2.690 20 0 CFADRP Fc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316291 778775001 /nfs/dbraw/zinc/77/50/01/778775001.db2.gz QTVSWUYAWDZOHD-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236317415 778776370 /nfs/dbraw/zinc/77/63/70/778776370.db2.gz WYVUMDSLFXHHMH-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP c1cnc2c(c1)cccc2C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317551 778776591 /nfs/dbraw/zinc/77/65/91/778776591.db2.gz ZEJMPRALJZHSGT-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP Fc1cc(F)c(F)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236317429 778776866 /nfs/dbraw/zinc/77/68/66/778776866.db2.gz XJJDOVKEDYUUDX-PHIMTYICSA-N 2 0 284.325 2.535 20 0 CFADRP c1ccn(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)c1 ZINC001236320725 778777198 /nfs/dbraw/zinc/77/71/98/778777198.db2.gz CKJQDGIQWWFBOT-HDICACEKSA-N 2 0 295.430 2.909 20 0 CFADRP Clc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cs1 ZINC001236320533 778777482 /nfs/dbraw/zinc/77/74/82/778777482.db2.gz PYDQCKGCTRLPTN-TXEJJXNPSA-N 2 0 270.829 2.833 20 0 CFADRP c1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320242 778777612 /nfs/dbraw/zinc/77/76/12/778777612.db2.gz NSZUQHOJDVZDFE-OKILXGFUSA-N 2 0 270.376 2.864 20 0 CFADRP COc1cccc2[nH]cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c21 ZINC001236322497 778779626 /nfs/dbraw/zinc/77/96/26/778779626.db2.gz ZCGBNMQRVPZWQI-OKILXGFUSA-N 2 0 299.418 2.608 20 0 CFADRP COc1cccc(C2CC[NH+](CCCC[NH3+])CC2)c1 ZINC001236323227 778780430 /nfs/dbraw/zinc/78/04/30/778780430.db2.gz ZBFJEKVORVMGJH-UHFFFAOYSA-N 2 0 262.397 2.614 20 0 CFADRP [NH3+]C1(c2ccc(-c3cccc4c3CC[NH2+]C4)cc2)CC1 ZINC001236354599 778789674 /nfs/dbraw/zinc/78/96/74/778789674.db2.gz UCBONQLFWPLNKG-UHFFFAOYSA-N 2 0 264.372 2.947 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cc(N3CCOCC3)cc[nH+]2)c1 ZINC001236415141 778809445 /nfs/dbraw/zinc/80/94/45/778809445.db2.gz DNLZCEADZIIMKF-UHFFFAOYSA-N 2 0 297.402 2.647 20 0 CFADRP Cc1ccc(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc12 ZINC001236418058 778812496 /nfs/dbraw/zinc/81/24/96/778812496.db2.gz ZQLCMCFTVUTABR-PIIMJCKOSA-N 2 0 266.388 2.798 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccc3c(c2)COC32C[NH2+]C2)c1 ZINC001236427341 778822735 /nfs/dbraw/zinc/82/27/35/778822735.db2.gz ZTTBDEJDGCFOHR-UHFFFAOYSA-N 2 0 294.398 2.744 20 0 CFADRP C(C[N@@H+]1CCOC[C@H]1C1CCCCC1)C1CC[NH2+]CC1 ZINC001236433257 778826491 /nfs/dbraw/zinc/82/64/91/778826491.db2.gz GFKNAZNEJFVWRT-KRWDZBQOSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]C[C@@]1(F)CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC001236435179 778827995 /nfs/dbraw/zinc/82/79/95/778827995.db2.gz TVCRDWNDJVFKRC-HWBDBZLXSA-N 2 0 280.431 2.966 20 0 CFADRP CCOCC[N@H+](Cc1ccc(C)c(C)c1)C1CC[NH2+]CC1 ZINC001236460821 778835388 /nfs/dbraw/zinc/83/53/88/778835388.db2.gz SOYBXTXEWHHBPP-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168408375 778859347 /nfs/dbraw/zinc/85/93/47/778859347.db2.gz WFXHALNINNGFSZ-MRXNPFEDSA-N 2 0 278.415 2.860 20 0 CFADRP Cc1cccnc1O[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC001236537043 778869718 /nfs/dbraw/zinc/86/97/18/778869718.db2.gz TZSIXTSCHNBZDM-MRXNPFEDSA-N 2 0 291.439 2.752 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCC2CC[NH2+]CC2)CC2CCC2)CC1 ZINC001236542670 778871550 /nfs/dbraw/zinc/87/15/50/778871550.db2.gz ZPCMUTJVRWLOLS-IYARVYRRSA-N 3 0 293.499 2.748 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@H]2CCC[NH2+]2)C2CCCCC2)CC1 ZINC001236566598 778877688 /nfs/dbraw/zinc/87/76/88/778877688.db2.gz ZXIOHQUAZDSYMV-BFYDXBDKSA-N 2 0 279.472 2.643 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584736 778886173 /nfs/dbraw/zinc/88/61/73/778886173.db2.gz RQHSOORNPHHGJT-JONQDZQNSA-N 2 0 260.425 2.663 20 0 CFADRP Cc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC001236604287 778891172 /nfs/dbraw/zinc/89/11/72/778891172.db2.gz GCAZQPHSKBGQNM-HNNXBMFYSA-N 2 0 258.409 2.743 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCCO)Cc2ccccc2)CC1 ZINC001236681972 778909340 /nfs/dbraw/zinc/90/93/40/778909340.db2.gz MRLZWSBMEYSKPO-IYARVYRRSA-N 2 0 290.451 2.921 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3cccc4ccoc43)C2)CC1 ZINC001236736552 778925101 /nfs/dbraw/zinc/92/51/01/778925101.db2.gz VVZVVJYIOXVYAC-UHFFFAOYSA-N 2 0 270.376 2.960 20 0 CFADRP CN1CCC[C@@H]2C[N@H+](Cc3cccc4ccoc43)C[C@H]21 ZINC001236743763 778927883 /nfs/dbraw/zinc/92/78/83/778927883.db2.gz VEIHNLCHYCLAIK-GDBMZVCRSA-N 2 0 270.376 2.959 20 0 CFADRP CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168416257 778928104 /nfs/dbraw/zinc/92/81/04/778928104.db2.gz VSIPOLAGJSAXAG-CQSZACIVSA-N 2 0 264.388 2.789 20 0 CFADRP CCC(CC)[N@H+](C[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782227 778933285 /nfs/dbraw/zinc/93/32/85/778933285.db2.gz FSADZIPDKBHMGQ-ZOBUZTSGSA-N 2 0 281.488 2.889 20 0 CFADRP CC(C)(C)C[N@H+](Cc1ccnc(N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236778837 778933377 /nfs/dbraw/zinc/93/33/77/778933377.db2.gz AMQXXABAOFOQFU-SHTZXODSSA-N 2 0 290.455 2.782 20 0 CFADRP Cc1c(F)ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236825865 778954985 /nfs/dbraw/zinc/95/49/85/778954985.db2.gz AWLOIAHAOHOOQN-SUHUHFCYSA-N 2 0 282.790 2.957 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236833471 778959229 /nfs/dbraw/zinc/95/92/29/778959229.db2.gz BXGQQUQQKMUNHK-HNNXBMFYSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[N@@H+](Cc1ccc2ccn(C)c2c1)C[C@@H]1CC[NH2+]C1 ZINC001236834245 778959335 /nfs/dbraw/zinc/95/93/35/778959335.db2.gz FWWNEXVUMPNTLX-MRXNPFEDSA-N 2 0 285.435 3.000 20 0 CFADRP Cc1cccc(CN(CC[NH+](C)C)CC[NH+](C)C)c1Cl ZINC001236854809 778966691 /nfs/dbraw/zinc/96/66/91/778966691.db2.gz YLYFOEYCRAPVLT-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP CC(C)[N@H+](CC[C@@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1 ZINC001236858343 778967356 /nfs/dbraw/zinc/96/73/56/778967356.db2.gz BERNWBQWXNYUQP-DOTOQJQBSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@H]([NH3+])C[N@H+](C)CCCCCOCc1ccccc1 ZINC001236885425 778973687 /nfs/dbraw/zinc/97/36/87/778973687.db2.gz HHVHBOGXDRUWKR-HNNXBMFYSA-N 2 0 264.413 2.653 20 0 CFADRP CC1=C[C@@H](C)[C@H](CN(CC[NH+](C)C)C2CC[NH2+]CC2)CC1 ZINC001236911720 778981246 /nfs/dbraw/zinc/98/12/46/778981246.db2.gz FRAJRSIZHUXGFP-SJORKVTESA-N 2 0 293.499 2.594 20 0 CFADRP CC(C)=CCC[C@@H](C)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236925021 778982499 /nfs/dbraw/zinc/98/24/99/778982499.db2.gz VTGIRXNONZGETL-MSOLQXFVSA-N 2 0 295.515 2.985 20 0 CFADRP c1ccc(CC[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001236950648 778984963 /nfs/dbraw/zinc/98/49/63/778984963.db2.gz OBBXQKZGXXZOCJ-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP COc1cccc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237143506 779025387 /nfs/dbraw/zinc/02/53/87/779025387.db2.gz GFTAXYSGFGXFQB-MRXNPFEDSA-N 2 0 274.408 2.802 20 0 CFADRP C[C@H]1OC2(CC[NH+](CCCC[NH3+])CC2)c2ccccc21 ZINC001237145396 779025957 /nfs/dbraw/zinc/02/59/57/779025957.db2.gz NQCDRDJHFPWBNH-CQSZACIVSA-N 2 0 274.408 2.808 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(c2ccc(F)cc2F)CC1 ZINC001237205889 779049705 /nfs/dbraw/zinc/04/97/05/779049705.db2.gz ZEZTVWOPEPKHKZ-UHFFFAOYSA-N 2 0 268.351 2.883 20 0 CFADRP C1=C2[NH2+]CCN(CCC[NH2+]C3CCCCC3)[C@@H]2CCC1 ZINC001237220159 779051729 /nfs/dbraw/zinc/05/17/29/779051729.db2.gz QTUCCAUMXOEMGM-QGZVFWFLSA-N 2 0 277.456 2.640 20 0 CFADRP CCOc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237382783 779088243 /nfs/dbraw/zinc/08/82/43/779088243.db2.gz NHYZCJBTOSVGGQ-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC001237400876 779096430 /nfs/dbraw/zinc/09/64/30/779096430.db2.gz AXUKITOLXXJYRY-YJBOKZPZSA-N 2 0 288.435 2.886 20 0 CFADRP c1nc2cc(CN3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc2s1 ZINC001237405572 779098514 /nfs/dbraw/zinc/09/85/14/779098514.db2.gz RJGABVHSYGHHOC-KGLIPLIRSA-N 2 0 287.432 2.870 20 0 CFADRP Cc1cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(C)c1O ZINC001237405495 779098541 /nfs/dbraw/zinc/09/85/41/779098541.db2.gz QVWRHIDGERIVNP-HOTGVXAUSA-N 2 0 274.408 2.583 20 0 CFADRP c1nc2cc(CN3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc2s1 ZINC001237405575 779099224 /nfs/dbraw/zinc/09/92/24/779099224.db2.gz RJGABVHSYGHHOC-ZIAGYGMSSA-N 2 0 287.432 2.870 20 0 CFADRP COC[C@H](C[NH+]1CCC(C(C)(C)C[NH3+])CC1)C(C)C ZINC000721974134 779154090 /nfs/dbraw/zinc/15/40/90/779154090.db2.gz OXPRLKSVBPOGGO-AWEZNQCLSA-N 2 0 270.461 2.602 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205095077 779172705 /nfs/dbraw/zinc/17/27/05/779172705.db2.gz UMVLXFPTKUOBMP-HNNXBMFYSA-N 2 0 262.397 2.787 20 0 CFADRP CC[N@H+](Cc1cccc2c1OCC2)C1CCN(C)CC1 ZINC001237751504 779174751 /nfs/dbraw/zinc/17/47/51/779174751.db2.gz TWDGPZLZWSQZNV-UHFFFAOYSA-N 2 0 274.408 2.538 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001168455183 779182556 /nfs/dbraw/zinc/18/25/56/779182556.db2.gz DGVISQCBORRPTI-XJKSGUPXSA-N 2 0 264.388 2.831 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001168476909 779259078 /nfs/dbraw/zinc/25/90/78/779259078.db2.gz WYWNLZPELRWVTQ-OAHLLOKOSA-N 2 0 299.393 2.974 20 0 CFADRP COc1c(C)cnc(CN2CC[C@H]([N@H+](C)C(C)C)C2)c1C ZINC001238178895 779271148 /nfs/dbraw/zinc/27/11/48/779271148.db2.gz YMVCPCCGMKBNSP-HNNXBMFYSA-N 2 0 291.439 2.622 20 0 CFADRP CCn1ccc2c1cccc2C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135898 779304659 /nfs/dbraw/zinc/30/46/59/779304659.db2.gz DNNXJJXCCMTZCW-DZGCQCFKSA-N 2 0 271.408 2.688 20 0 CFADRP COc1c(C[N@H+](C)CC2CC[NH+](C)CC2)ccc(F)c1F ZINC001238477481 779328741 /nfs/dbraw/zinc/32/87/41/779328741.db2.gz NTPPISAEWGJTJM-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP c1ccc(CCCCC[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235263174 779334731 /nfs/dbraw/zinc/33/47/31/779334731.db2.gz STHLHBOCDCZNLE-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP CCCCOc1cccc(C[N@H+](C)CCC[NH3+])c1 ZINC001235435787 779352876 /nfs/dbraw/zinc/35/28/76/779352876.db2.gz ZADFBBNXKRDSOF-UHFFFAOYSA-N 2 0 250.386 2.646 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(F)c3)C[C@@H]2C1 ZINC001168502102 779374032 /nfs/dbraw/zinc/37/40/32/779374032.db2.gz SLAAEKORFLJVKL-BMFZPTHFSA-N 2 0 276.399 2.640 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(F)c3)C[C@H]2C1 ZINC001168502104 779374166 /nfs/dbraw/zinc/37/41/66/779374166.db2.gz SLAAEKORFLJVKL-FVQBIDKESA-N 2 0 276.399 2.640 20 0 CFADRP C[N@@H+](Cc1ccc(C2CCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001235842161 779384682 /nfs/dbraw/zinc/38/46/82/779384682.db2.gz MCHKLVBOHXTHIM-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)c1 ZINC001235929830 779409706 /nfs/dbraw/zinc/40/97/06/779409706.db2.gz UUKALFCBBGGRKE-HOTGVXAUSA-N 2 0 258.409 2.653 20 0 CFADRP CCCOc1ccccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925522 779409795 /nfs/dbraw/zinc/40/97/95/779409795.db2.gz SBEQASXDIJISPJ-HNNXBMFYSA-N 2 0 262.397 2.789 20 0 CFADRP Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235936877 779411309 /nfs/dbraw/zinc/41/13/09/779411309.db2.gz HJZICCLJYXLILF-OLZOCXBDSA-N 2 0 264.800 2.690 20 0 CFADRP CC[C@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CCC1C[NH2+]C1 ZINC001235962128 779416121 /nfs/dbraw/zinc/41/61/21/779416121.db2.gz LKXDQKPLMRRDLM-JKSUJKDBSA-N 2 0 268.445 2.859 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1)c1ccccc1 ZINC001235981959 779419684 /nfs/dbraw/zinc/41/96/84/779419684.db2.gz ZFVWHRUTEARFHV-NVXWUHKLSA-N 2 0 258.409 2.777 20 0 CFADRP [NH3+]CC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001239324879 779514616 /nfs/dbraw/zinc/51/46/16/779514616.db2.gz LDEWADZPLLSBFO-UHFFFAOYSA-N 2 0 272.314 2.576 20 0 CFADRP Cc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c(C)c1 ZINC001212335427 779616964 /nfs/dbraw/zinc/61/69/64/779616964.db2.gz APCINAMDJIPXPN-INIZCTEOSA-N 2 0 288.395 2.656 20 0 CFADRP [NH3+]Cc1cncc(-c2ccccc2C2([NH3+])CCC2)c1 ZINC001239806947 779789529 /nfs/dbraw/zinc/78/95/29/779789529.db2.gz LBZJVGFJTBNPGG-UHFFFAOYSA-N 2 0 253.349 2.545 20 0 CFADRP C[N@@H+]1CC[C@@H](c2ccc(-c3cncc(C[NH3+])c3)cc2)C1 ZINC001239808977 779791261 /nfs/dbraw/zinc/79/12/61/779791261.db2.gz KLZVEXCEMHBOCX-MRXNPFEDSA-N 2 0 267.376 2.626 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715517922 780009157 /nfs/dbraw/zinc/00/91/57/780009157.db2.gz HTFJWKCHGAZMHU-IYXRBSQSSA-N 2 0 250.386 2.673 20 0 CFADRP COc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)ccn1 ZINC001240258423 780036081 /nfs/dbraw/zinc/03/60/81/780036081.db2.gz CZHNZRLYNMSVBI-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP Cc1nc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)sc1C ZINC000715582425 780173082 /nfs/dbraw/zinc/17/30/82/780173082.db2.gz FDCWDXKJEYZWBH-OLZOCXBDSA-N 2 0 267.442 2.722 20 0 CFADRP c1nc2cc(C3=CCC[NH2+]C3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001240658862 780332234 /nfs/dbraw/zinc/33/22/34/780332234.db2.gz JOUXWFFGYYNZDJ-MRXNPFEDSA-N 2 0 296.418 2.728 20 0 CFADRP c1nc2cc(C3=CCC[NH2+]C3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001240658861 780332574 /nfs/dbraw/zinc/33/25/74/780332574.db2.gz JOUXWFFGYYNZDJ-INIZCTEOSA-N 2 0 296.418 2.728 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000453087491 780413920 /nfs/dbraw/zinc/41/39/20/780413920.db2.gz QBHBROTVFQWKMU-HZPDHXFCSA-N 2 0 278.440 2.551 20 0 CFADRP Fc1cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc(F)c1F ZINC001240980468 780568671 /nfs/dbraw/zinc/56/86/71/780568671.db2.gz KSDMBWMOOSXBNM-UHFFFAOYSA-N 2 0 293.292 2.576 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2cc3c(nn2)C[NH2+]C3)cc1 ZINC001241576013 780992270 /nfs/dbraw/zinc/99/22/70/780992270.db2.gz PVMZZPGRCPIFGH-UHFFFAOYSA-N 2 0 282.391 2.589 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C)(O)CC1 ZINC000703560191 781035882 /nfs/dbraw/zinc/03/58/82/781035882.db2.gz GVODUCKYQWIJJE-YHNBSYBMSA-N 2 0 268.445 2.580 20 0 CFADRP CC1(C)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000703797271 781059970 /nfs/dbraw/zinc/05/99/70/781059970.db2.gz NZNKSVSAKISYAP-AGUYFDCRSA-N 2 0 268.470 2.735 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC001241913906 781178402 /nfs/dbraw/zinc/17/84/02/781178402.db2.gz UGMUFNFGBLSHKP-UHFFFAOYSA-N 2 0 282.387 2.943 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001241917940 781180668 /nfs/dbraw/zinc/18/06/68/781180668.db2.gz LZRBFYIRRVVIFI-KRWDZBQOSA-N 2 0 268.360 2.553 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CC(SC)C2)CC1 ZINC000706817634 781203792 /nfs/dbraw/zinc/20/37/92/781203792.db2.gz GJGMGNLARQNPHL-UHFFFAOYSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1(C)CC1 ZINC000706955007 781218082 /nfs/dbraw/zinc/21/80/82/781218082.db2.gz FPQUDDMSGMDBMF-ZDUSSCGKSA-N 2 0 259.397 2.829 20 0 CFADRP C[N@@H+]1CCc2cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2C1 ZINC001242026646 781240556 /nfs/dbraw/zinc/24/05/56/781240556.db2.gz NDRZARUPQWXKIF-SJORKVTESA-N 2 0 254.377 2.582 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000707341674 781242275 /nfs/dbraw/zinc/24/22/75/781242275.db2.gz VJKJLHCKWGKRRC-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP COc1ccncc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001242060562 781254354 /nfs/dbraw/zinc/25/43/54/781254354.db2.gz KRRRXEQKQNKAFW-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CCCC[C@H]2CC[NH3+])C(C)(C)O1 ZINC000709701823 781301301 /nfs/dbraw/zinc/30/13/01/781301301.db2.gz IGFNANGGRAHEOH-KBPBESRZSA-N 2 0 268.445 2.783 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709704713 781301764 /nfs/dbraw/zinc/30/17/64/781301764.db2.gz XQPIMZYLPLGTLR-ZIAGYGMSSA-N 2 0 268.445 2.641 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccccc2C[NH3+])cc1 ZINC001242150437 781302072 /nfs/dbraw/zinc/30/20/72/781302072.db2.gz IWUUQRNLZIZXCU-UHFFFAOYSA-N 2 0 270.376 2.753 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709704847 781302473 /nfs/dbraw/zinc/30/24/73/781302473.db2.gz ZUZFSSGRARXBID-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C(C)(C)O1 ZINC000709890422 781321492 /nfs/dbraw/zinc/32/14/92/781321492.db2.gz GKCVNHOYTHMPDB-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(F)F ZINC000710410469 781333419 /nfs/dbraw/zinc/33/34/19/781333419.db2.gz DYCQMJNGSVBMOK-NWDGAFQWSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@H+](CCCCCC[NH3+])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710482782 781334089 /nfs/dbraw/zinc/33/40/89/781334089.db2.gz WREHFKXTUNSFMZ-CLLJXQQHSA-N 2 0 260.372 2.729 20 0 CFADRP C[C@H](CC[NH2+]CCc1ccc(Cl)cc1)[NH+](C)C ZINC000697864776 781615187 /nfs/dbraw/zinc/61/51/87/781615187.db2.gz BFGVOTGLIWREPA-GFCCVEGCSA-N 2 0 254.805 2.812 20 0 CFADRP [NH3+][C@H]1CCc2c1cccc2-c1ccc2c(c1)C[NH2+]C2 ZINC001242674981 781690482 /nfs/dbraw/zinc/69/04/82/781690482.db2.gz AOXWXXZHDVEQFV-KRWDZBQOSA-N 2 0 250.345 2.903 20 0 CFADRP CCC[C@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)OC ZINC001119236693 781751567 /nfs/dbraw/zinc/75/15/67/781751567.db2.gz ACJWOKRANUGSNN-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(CN3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242998334 781913382 /nfs/dbraw/zinc/91/33/82/781913382.db2.gz PMQRKWKMUBATMV-LJQANCHMSA-N 2 0 295.430 2.606 20 0 CFADRP Cc1nc2ccccn2c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335278696 282090132 /nfs/dbraw/zinc/09/01/32/282090132.db2.gz NHCPSMFQZJHCTB-AWEZNQCLSA-N 2 0 298.434 2.607 20 0 CFADRP CCSCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594937459 349518557 /nfs/dbraw/zinc/51/85/57/349518557.db2.gz OVFOACXBJDKQBS-UHFFFAOYSA-N 2 0 276.409 2.500 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1C ZINC000273054851 192031278 /nfs/dbraw/zinc/03/12/78/192031278.db2.gz KHZKHBSAMQVRET-UONOGXRCSA-N 2 0 264.413 2.994 20 0 CFADRP CCC(CC)(C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422796125 282121874 /nfs/dbraw/zinc/12/18/74/282121874.db2.gz IUAUHSBNJBYYSQ-CQSZACIVSA-N 2 0 260.425 2.942 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595014165 349550406 /nfs/dbraw/zinc/55/04/06/349550406.db2.gz LSYORLDETPVKRU-GJZGRUSLSA-N 2 0 298.471 2.676 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CSCCF)CC1 ZINC000595025729 349554566 /nfs/dbraw/zinc/55/45/66/349554566.db2.gz LYTBQUGNFQOAMJ-ZDUSSCGKSA-N 2 0 276.465 2.789 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CCC[NH+]1CCCCC1 ZINC000595003155 349544496 /nfs/dbraw/zinc/54/44/96/349544496.db2.gz FIHFYYDSXOAVDL-ZDUSSCGKSA-N 2 0 262.438 2.543 20 0 CFADRP C[C@H](CSCCF)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000595004982 349544938 /nfs/dbraw/zinc/54/49/38/349544938.db2.gz VOKRPQXMIWQSDH-CYBMUJFWSA-N 2 0 284.444 2.929 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000595044947 349562710 /nfs/dbraw/zinc/56/27/10/349562710.db2.gz PKNUAPZKSLRQPM-PNESKVBLSA-N 2 0 262.438 2.540 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000595096090 349580296 /nfs/dbraw/zinc/58/02/96/349580296.db2.gz ZWAHDBMGHCLMAD-MCIONIFRSA-N 2 0 268.470 2.735 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828663 529424835 /nfs/dbraw/zinc/42/48/35/529424835.db2.gz JEXCHXQUWCFYOT-IAGOWNOFSA-N 2 0 260.425 2.905 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1C ZINC000595554131 349658113 /nfs/dbraw/zinc/65/81/13/349658113.db2.gz FOLDGLJUNRKLSE-ZJIFWQFVSA-N 2 0 296.455 2.523 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CC23CCC(CC2)C3)CC1 ZINC000450852553 282187719 /nfs/dbraw/zinc/18/77/19/282187719.db2.gz GGGGOMYMXWLBRD-HWOWSKLDSA-N 2 0 250.430 2.983 20 0 CFADRP CC[C@@H](C[NH2+][C@H](C)CCC[NH3+])Oc1ccccc1C ZINC000422916837 529495598 /nfs/dbraw/zinc/49/55/98/529495598.db2.gz BQHGENPIAZPYHK-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(F)c1 ZINC000422851915 529489618 /nfs/dbraw/zinc/48/96/18/529489618.db2.gz PSAAJECAFBEVTC-QXULXFAOSA-N 2 0 292.398 2.856 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000070183551 346907084 /nfs/dbraw/zinc/90/70/84/346907084.db2.gz KKEDUHOFWLIDQI-UHFFFAOYSA-N 2 0 254.324 2.526 20 0 CFADRP CSc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000070183573 346907278 /nfs/dbraw/zinc/90/72/78/346907278.db2.gz HIVFMZSFZRYTEK-UHFFFAOYSA-N 2 0 264.438 2.969 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H]3CCC[C@H]3[NH3+])c[nH]c21 ZINC000422907428 529554782 /nfs/dbraw/zinc/55/47/82/529554782.db2.gz BRVJWGPAHYTFAG-CVEARBPZSA-N 2 0 271.408 2.742 20 0 CFADRP CCOc1ccc(OCC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000070543561 346910485 /nfs/dbraw/zinc/91/04/85/346910485.db2.gz RJLYWHSSHOQRQF-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000415029243 529595131 /nfs/dbraw/zinc/59/51/31/529595131.db2.gz ZZGAZRYRAHTQIF-UONOGXRCSA-N 2 0 291.439 2.683 20 0 CFADRP CC[C@H]([NH2+]CC1([NH3+])CCCCCC1)C1(C(=O)OC)CCC1 ZINC000423209046 529591330 /nfs/dbraw/zinc/59/13/30/529591330.db2.gz ZNJPRGPJZVXACT-AWEZNQCLSA-N 2 0 296.455 2.750 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423378583 529591837 /nfs/dbraw/zinc/59/18/37/529591837.db2.gz CJOJPHHZKRVHJC-INIZCTEOSA-N 2 0 294.414 2.883 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1OC ZINC000423346433 529593028 /nfs/dbraw/zinc/59/30/28/529593028.db2.gz PFBXLOSSPOUCSL-HNNXBMFYSA-N 2 0 260.381 2.656 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@@H]1CC1(C)C ZINC000414064655 529585004 /nfs/dbraw/zinc/58/50/04/529585004.db2.gz FASXKWOKLWJSLL-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@H]1CC1(C)C ZINC000414064647 529585151 /nfs/dbraw/zinc/58/51/51/529585151.db2.gz FASXKWOKLWJSLL-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(OC)c1 ZINC000425949140 529610877 /nfs/dbraw/zinc/61/08/77/529610877.db2.gz DOTPGYXNGGPOPV-CJNGLKHVSA-N 2 0 264.413 2.934 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414071009 529595923 /nfs/dbraw/zinc/59/59/23/529595923.db2.gz CQMDMXDWNUGFQU-SIRPWMCASA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939202 346917181 /nfs/dbraw/zinc/91/71/81/346917181.db2.gz QCIVVJWYAQKKPQ-AWEZNQCLSA-N 2 0 271.408 2.988 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423214883 529613992 /nfs/dbraw/zinc/61/39/92/529613992.db2.gz PVFYLWPGRJHBMV-CJNGLKHVSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423132588 529617315 /nfs/dbraw/zinc/61/73/15/529617315.db2.gz JLDGVKCZAFGXCV-QAETUUGQSA-N 2 0 258.409 2.910 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422755812 529617774 /nfs/dbraw/zinc/61/77/74/529617774.db2.gz HDWKKYMKZJJXDH-SZMVWBNQSA-N 2 0 290.451 2.960 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414781679 529646704 /nfs/dbraw/zinc/64/67/04/529646704.db2.gz NLLDYOXMGVZAEW-CHWSQXEVSA-N 2 0 279.453 2.527 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OC)c(OC)c1 ZINC000423102378 529649780 /nfs/dbraw/zinc/64/97/80/529649780.db2.gz KCEHCXKCHWKDIL-JSGCOSHPSA-N 2 0 280.412 2.872 20 0 CFADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@H]1C[C@H]1C ZINC000414104123 529633341 /nfs/dbraw/zinc/63/33/41/529633341.db2.gz NWEZQLHRQHPAAV-KBMXLJTQSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OC)cc1 ZINC000423492305 529660653 /nfs/dbraw/zinc/66/06/53/529660653.db2.gz MMMGHGVCXLVXHT-XPKDYRNWSA-N 2 0 262.397 2.863 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cn1 ZINC000423426383 529664682 /nfs/dbraw/zinc/66/46/82/529664682.db2.gz HRZIVIFXPRKYQY-YPMHNXCESA-N 2 0 253.365 2.779 20 0 CFADRP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccc(F)cc1F ZINC000422761260 529668238 /nfs/dbraw/zinc/66/82/38/529668238.db2.gz LSLZKBSESJGLEQ-DOMZBBRYSA-N 2 0 286.366 2.759 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000422992491 282234849 /nfs/dbraw/zinc/23/48/49/282234849.db2.gz CRSUKOSANBDKDK-FVQBIDKESA-N 2 0 270.461 2.948 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000423219119 529721280 /nfs/dbraw/zinc/72/12/80/529721280.db2.gz WEPBIMOOLQDSHX-NWDGAFQWSA-N 2 0 252.427 2.961 20 0 CFADRP CCc1ccc([C@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000422736738 529723862 /nfs/dbraw/zinc/72/38/62/529723862.db2.gz WLJRKDDUCZBPSG-PBHICJAKSA-N 2 0 277.456 2.569 20 0 CFADRP CCc1nc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cs1 ZINC000422718463 529745404 /nfs/dbraw/zinc/74/54/04/529745404.db2.gz XIOKZNFTWBRARD-GHMZBOCLSA-N 2 0 255.431 2.874 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423220629 529747636 /nfs/dbraw/zinc/74/76/36/529747636.db2.gz YNXGEGZYFUCVMB-RYUDHWBXSA-N 2 0 279.453 2.672 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127953283 187342609 /nfs/dbraw/zinc/34/26/09/187342609.db2.gz NAABIKXJEINIDK-IAGOWNOFSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)c2ccccc21 ZINC000219306230 539330163 /nfs/dbraw/zinc/33/01/63/539330163.db2.gz SANHDRBVXXGYOG-RHSMWYFYSA-N 2 0 276.424 2.793 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000126847500 187265823 /nfs/dbraw/zinc/26/58/23/187265823.db2.gz IIXQVLQBKUUDLV-GXFFZTMASA-N 2 0 254.324 2.793 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000126827137 187264325 /nfs/dbraw/zinc/26/43/25/187264325.db2.gz BRKKCBIVMGNIIC-GXFFZTMASA-N 2 0 254.324 2.793 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348065363 539348034 /nfs/dbraw/zinc/34/80/34/539348034.db2.gz QKMPVIVBJAAEDI-IRXDYDNUSA-N 2 0 288.435 2.905 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CC1 ZINC000423161597 529883806 /nfs/dbraw/zinc/88/38/06/529883806.db2.gz JGCLWGJGXWEHKK-KZNAEPCWSA-N 3 0 293.499 2.761 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000666172173 539383880 /nfs/dbraw/zinc/38/38/80/539383880.db2.gz PGAIPAYPFCSGIQ-AAEUAGOBSA-N 2 0 267.442 2.834 20 0 CFADRP Cc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1F ZINC000295534114 199552495 /nfs/dbraw/zinc/55/24/95/199552495.db2.gz WWTQULIIYVIUSW-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2n1 ZINC000128229021 187358632 /nfs/dbraw/zinc/35/86/32/187358632.db2.gz IIAFUVIYZLSDFF-CVEARBPZSA-N 2 0 281.403 2.870 20 0 CFADRP C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000414727750 529958214 /nfs/dbraw/zinc/95/82/14/529958214.db2.gz AYGDLGPAYKYHRC-ULQDDVLXSA-N 2 0 258.409 2.864 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423199833 529971531 /nfs/dbraw/zinc/97/15/31/529971531.db2.gz KUAGMDJMIMQOAC-LLVKDONJSA-N 2 0 274.330 2.836 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414860166 529971639 /nfs/dbraw/zinc/97/16/39/529971639.db2.gz OMMPCOYVIMJWLW-CABCVRRESA-N 2 0 250.361 2.661 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000423205911 529971754 /nfs/dbraw/zinc/97/17/54/529971754.db2.gz WCXIKWBKURNASX-LLVKDONJSA-N 2 0 268.426 2.677 20 0 CFADRP C[NH2+]CCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423198281 529970953 /nfs/dbraw/zinc/97/09/53/529970953.db2.gz FALBUXZXXHOMMB-UHFFFAOYSA-N 2 0 283.504 2.865 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423187176 529971235 /nfs/dbraw/zinc/97/12/35/529971235.db2.gz MDQGUCDERMFGJD-JTQLQIEISA-N 2 0 271.202 2.709 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423198704 529971289 /nfs/dbraw/zinc/97/12/89/529971289.db2.gz HKAGYZFOZTYSCV-HZPDHXFCSA-N 2 0 276.424 2.569 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414858281 529971305 /nfs/dbraw/zinc/97/13/05/529971305.db2.gz ISADITFSPQALSI-LLVKDONJSA-N 2 0 285.229 2.579 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414850148 529985441 /nfs/dbraw/zinc/98/54/41/529985441.db2.gz YVOZDOGHJGCCGL-LLVKDONJSA-N 2 0 254.443 2.991 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423266545 529986062 /nfs/dbraw/zinc/98/60/62/529986062.db2.gz DGKCXSWTEGSGEK-IAQYHMDHSA-N 2 0 250.361 2.722 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414834709 529998683 /nfs/dbraw/zinc/99/86/83/529998683.db2.gz HOPRMWKHJKQXCV-VIFPVBQESA-N 2 0 261.196 2.939 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1SC ZINC000414844474 529998998 /nfs/dbraw/zinc/99/89/98/529998998.db2.gz RLQFPDZOERZWIO-STQMWFEESA-N 2 0 266.454 2.785 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423266182 529999264 /nfs/dbraw/zinc/99/92/64/529999264.db2.gz CYSOOQZZGJNARP-NUEKZKHPSA-N 2 0 276.424 2.678 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423276377 529999310 /nfs/dbraw/zinc/99/93/10/529999310.db2.gz OHSWPXRWHZQKHS-NWDGAFQWSA-N 2 0 270.367 2.731 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000423282312 529999361 /nfs/dbraw/zinc/99/93/61/529999361.db2.gz WKJCMRPNXYPZLF-RDJZCZTQSA-N 2 0 278.440 2.673 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423280618 529999410 /nfs/dbraw/zinc/99/94/10/529999410.db2.gz UXUDLWAHFPFFOS-ZOBUZTSGSA-N 2 0 276.424 2.599 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423278803 529999515 /nfs/dbraw/zinc/99/95/15/529999515.db2.gz ROUJJEMKBZDYDX-BBRMVZONSA-N 2 0 266.404 2.838 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423256416 530000159 /nfs/dbraw/zinc/00/01/59/530000159.db2.gz BXHREAHHCYSRFO-DZKIICNBSA-N 2 0 261.413 2.553 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)C1 ZINC000121094773 539399419 /nfs/dbraw/zinc/39/94/19/539399419.db2.gz KLGFHOMDXMZMQP-MEDUHNTESA-N 2 0 280.362 2.884 20 0 CFADRP CN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000423155499 530055427 /nfs/dbraw/zinc/05/54/27/530055427.db2.gz LGJOEANKRMTIHO-KJFZJZGVSA-N 2 0 285.435 2.830 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519516 539405965 /nfs/dbraw/zinc/40/59/65/539405965.db2.gz RABRSTZZTWPNMT-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+]CC2CCCCCC2)CC1 ZINC000089557173 539470035 /nfs/dbraw/zinc/47/00/35/539470035.db2.gz BUUKWZMVDZKZCA-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089550889 539470084 /nfs/dbraw/zinc/47/00/84/539470084.db2.gz VFVZUXWMRBLAAV-DLBZAZTESA-N 2 0 288.435 2.844 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1C ZINC000127495162 187310371 /nfs/dbraw/zinc/31/03/71/187310371.db2.gz BKXCIFURNCZCKV-IRXDYDNUSA-N 2 0 289.467 2.590 20 0 CFADRP C[C@@H]([NH2+]CC1(C2CC2)CCC1)C1CC[NH+](C)CC1 ZINC000090724397 539510508 /nfs/dbraw/zinc/51/05/08/539510508.db2.gz GLWVCVVCPGCOEG-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCF)CN1Cc1ccccc1 ZINC000090189472 539527903 /nfs/dbraw/zinc/52/79/03/539527903.db2.gz HKXHITFAFZBLMM-OAHLLOKOSA-N 2 0 264.388 2.989 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313296437 260279314 /nfs/dbraw/zinc/27/93/14/260279314.db2.gz LFNLBZCTAPNGFJ-IIAWOOMASA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000037618836 346332650 /nfs/dbraw/zinc/33/26/50/346332650.db2.gz QCMWSVDUJFILRU-UHFFFAOYSA-N 2 0 291.439 2.855 20 0 CFADRP COc1ccccc1C[N@H+](C)CCCCCC[NH3+] ZINC000042442377 346364938 /nfs/dbraw/zinc/36/49/38/346364938.db2.gz UXVNVYWZKNGDIW-UHFFFAOYSA-N 2 0 250.386 2.646 20 0 CFADRP CCSCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835454 347102177 /nfs/dbraw/zinc/10/21/77/347102177.db2.gz TVQDNBNTFUSMLX-CQSZACIVSA-N 2 0 256.459 2.547 20 0 CFADRP CC[NH+](CC)CCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000083433192 347451203 /nfs/dbraw/zinc/45/12/03/347451203.db2.gz PVYQWBFXJRKDTL-UHFFFAOYSA-N 2 0 259.397 2.989 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[C@@H]1CCOC1 ZINC000402128557 232683534 /nfs/dbraw/zinc/68/35/34/232683534.db2.gz GUZBRJHSWMIJFZ-OAGGEKHMSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000086333615 347484770 /nfs/dbraw/zinc/48/47/70/347484770.db2.gz QPOJMBNQYJLJSY-UHFFFAOYSA-N 2 0 258.818 2.962 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2nccs2)CC1 ZINC000086510294 347486288 /nfs/dbraw/zinc/48/62/88/347486288.db2.gz YXNSXLVRXHUKMY-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@](C)(O)C[NH+](C)C)c1C ZINC000273307378 192106778 /nfs/dbraw/zinc/10/67/78/192106778.db2.gz HVZANLCMFVCJMP-KRWDZBQOSA-N 2 0 287.407 2.576 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC000088521849 347504931 /nfs/dbraw/zinc/50/49/31/347504931.db2.gz QGNBTAORNYKOSR-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000089516748 347520792 /nfs/dbraw/zinc/52/07/92/347520792.db2.gz BMPVLJLRKCMIRN-PBHICJAKSA-N 2 0 290.451 2.903 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000090585329 347552392 /nfs/dbraw/zinc/55/23/92/347552392.db2.gz NJPYPMOGIQVWIS-JKSUJKDBSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC(O)CC3)CC2)C1 ZINC000090800700 347557173 /nfs/dbraw/zinc/55/71/73/347557173.db2.gz DKSDNHOWSWRKFO-JOKDJRIQSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000090800027 347557497 /nfs/dbraw/zinc/55/74/97/347557497.db2.gz LMLOBQUIZALNAL-RYKRPPSOSA-N 2 0 294.483 2.923 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@H](C)C1 ZINC000090544048 347551516 /nfs/dbraw/zinc/55/15/16/347551516.db2.gz KKIGWAVIDBGXQL-QZWWFDLISA-N 2 0 282.472 2.638 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090577612 347551732 /nfs/dbraw/zinc/55/17/32/347551732.db2.gz PZRVTXPDEDJXLC-YJBOKZPZSA-N 2 0 290.451 2.948 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090577982 347551782 /nfs/dbraw/zinc/55/17/82/347551782.db2.gz QELPIEPMMFFRRI-DLBZAZTESA-N 2 0 288.435 2.844 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)o1)CC1CC[NH+](C)CC1 ZINC000093088570 347661449 /nfs/dbraw/zinc/66/14/49/347661449.db2.gz HRKHVMFLDFWJCH-UHFFFAOYSA-N 2 0 256.777 2.707 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000093942337 347689387 /nfs/dbraw/zinc/68/93/87/347689387.db2.gz AYTAMJKQCBRUSM-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211786 347665720 /nfs/dbraw/zinc/66/57/20/347665720.db2.gz DNDYDXNAPFTLTO-HZSPNIEDSA-N 2 0 262.397 2.924 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000113701088 347768250 /nfs/dbraw/zinc/76/82/50/347768250.db2.gz CRAORNXXFLFBJN-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP C[N@@H+](Cc1cccc(F)c1F)CC1CC[NH+](C)CC1 ZINC000104084671 347724049 /nfs/dbraw/zinc/72/40/49/347724049.db2.gz ZPYJGTTWNAXSDB-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2CCCCCC2)CC1 ZINC000119660534 347803354 /nfs/dbraw/zinc/80/33/54/347803354.db2.gz SFMUPUGDVBCMAX-UHFFFAOYSA-N 2 0 281.488 2.717 20 0 CFADRP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129062627 347856991 /nfs/dbraw/zinc/85/69/91/347856991.db2.gz RGGUPTZGQNQWAJ-UTUOFQBUSA-N 2 0 264.335 2.839 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000129470479 347862173 /nfs/dbraw/zinc/86/21/73/347862173.db2.gz IAQQLVZCNCPNHI-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000133991791 347894570 /nfs/dbraw/zinc/89/45/70/347894570.db2.gz XPJATMSKVPLHGJ-QZTJIDSGSA-N 2 0 293.499 2.596 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(F)c2)CN1C1CC1 ZINC000128645546 187381767 /nfs/dbraw/zinc/38/17/67/187381767.db2.gz GKNOECUIKOQIBC-IUODEOHRSA-N 2 0 262.372 2.583 20 0 CFADRP C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)C1CC[NH+](C)CC1 ZINC000090572540 539590634 /nfs/dbraw/zinc/59/06/34/539590634.db2.gz MDZDKKCLLODZOA-AWEZNQCLSA-N 2 0 290.455 2.818 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC1(C)CCC1 ZINC000349064724 539594973 /nfs/dbraw/zinc/59/49/73/539594973.db2.gz VVALELWEWVBHLF-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150305748 347956434 /nfs/dbraw/zinc/95/64/34/347956434.db2.gz UXKSKSDBIJIGKK-MFKMUULPSA-N 2 0 254.324 2.936 20 0 CFADRP CSCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000154759196 347982511 /nfs/dbraw/zinc/98/25/11/347982511.db2.gz MEWWKTLVPMHJQG-ZDUSSCGKSA-N 2 0 282.453 2.641 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000235379820 348226775 /nfs/dbraw/zinc/22/67/75/348226775.db2.gz AYWPNOMERVLVGJ-BPUTZDHNSA-N 2 0 250.430 2.910 20 0 CFADRP CSCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309687209 348407445 /nfs/dbraw/zinc/40/74/45/348407445.db2.gz BEIKHKLCXZZCCY-GOEBONIOSA-N 2 0 278.465 2.850 20 0 CFADRP C[C@@H]1[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000309838168 348407960 /nfs/dbraw/zinc/40/79/60/348407960.db2.gz VBFUCLVDLQLEMY-NRSFXHEJSA-N 2 0 287.451 2.509 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CCCO)c2ccccc2)CC1 ZINC000305182035 539645811 /nfs/dbraw/zinc/64/58/11/539645811.db2.gz WKDFKSUMGPGBJT-GOSISDBHSA-N 2 0 290.451 2.964 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000387258868 348536787 /nfs/dbraw/zinc/53/67/87/348536787.db2.gz RBATWSAVPSVXAQ-UHFFFAOYSA-N 2 0 293.411 2.847 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000396444746 348557704 /nfs/dbraw/zinc/55/77/04/348557704.db2.gz CRGYTIHXBOPAOJ-KGLIPLIRSA-N 2 0 271.408 2.939 20 0 CFADRP CSC[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000400087350 348571464 /nfs/dbraw/zinc/57/14/64/348571464.db2.gz QUNULHIWRVUSBK-HNNXBMFYSA-N 2 0 276.449 2.660 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400919141 348575729 /nfs/dbraw/zinc/57/57/29/348575729.db2.gz DZPWUGJUAPEVKF-BTFPBAQTSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401021455 348576255 /nfs/dbraw/zinc/57/62/55/348576255.db2.gz RCBSYNKXKBQAPL-KBUPBQIOSA-N 2 0 262.397 2.578 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090771451 539656332 /nfs/dbraw/zinc/65/63/32/539656332.db2.gz PHIUUFTZQSQXHH-JCCCHCCOSA-N 2 0 280.456 2.939 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000128930345 187399843 /nfs/dbraw/zinc/39/98/43/187399843.db2.gz JEVDGDADYMYKBB-INMHGKMJSA-N 2 0 298.434 2.691 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000090972425 539657516 /nfs/dbraw/zinc/65/75/16/539657516.db2.gz PQRRQWYFOWAKTP-GFCCVEGCSA-N 2 0 280.387 2.654 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584767999 348713924 /nfs/dbraw/zinc/71/39/24/348713924.db2.gz OORFYIPFIDCWKZ-ZNMIVQPWSA-N 2 0 250.430 2.933 20 0 CFADRP COCc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000088553705 179622502 /nfs/dbraw/zinc/62/25/02/179622502.db2.gz DMFYKRLEAQSOGC-HNNXBMFYSA-N 2 0 276.424 2.655 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000584585870 348680263 /nfs/dbraw/zinc/68/02/63/348680263.db2.gz BAGCMFSIOYCLKV-SFHVURJKSA-N 2 0 290.451 2.923 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000126145083 539665791 /nfs/dbraw/zinc/66/57/91/539665791.db2.gz BRVIPDFBWYUZCU-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126322078 539671451 /nfs/dbraw/zinc/67/14/51/539671451.db2.gz JXUQKOPVRCQQTG-UHFFFAOYSA-N 2 0 262.397 2.613 20 0 CFADRP Cc1ccc(C)c(OCC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000590125812 348876575 /nfs/dbraw/zinc/87/65/75/348876575.db2.gz NNPJPOXJRCNHKA-UHFFFAOYSA-N 2 0 290.451 2.956 20 0 CFADRP CCCCOCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590818879 348954675 /nfs/dbraw/zinc/95/46/75/348954675.db2.gz FFSPDNDNCMLOSR-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414173783 233186563 /nfs/dbraw/zinc/18/65/63/233186563.db2.gz GCECWCHIQHEFIT-HUUCEWRRSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000414185550 233189999 /nfs/dbraw/zinc/18/99/99/233189999.db2.gz OZZSBBGPGCLGEW-NWDGAFQWSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccncc1F ZINC000414201377 233195334 /nfs/dbraw/zinc/19/53/34/233195334.db2.gz YCTCKKKNVKMVTM-OLZOCXBDSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccccc1F ZINC000127629342 539725001 /nfs/dbraw/zinc/72/50/01/539725001.db2.gz MBZIUDLBURTIOV-KBPBESRZSA-N 2 0 294.414 2.913 20 0 CFADRP CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000593653299 349305100 /nfs/dbraw/zinc/30/51/00/349305100.db2.gz BSXPSWLVHSPAOM-LXTVHRRPSA-N 2 0 268.470 2.877 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000593728597 349315577 /nfs/dbraw/zinc/31/55/77/349315577.db2.gz YZAITWBKRVPZCK-LSDHHAIUSA-N 2 0 294.464 2.565 20 0 CFADRP CCCCOCCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000128057049 539732679 /nfs/dbraw/zinc/73/26/79/539732679.db2.gz ZARBMSNNVWKICD-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP CSC[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000597018468 350017276 /nfs/dbraw/zinc/01/72/76/350017276.db2.gz DZHINJOLOJSWHV-OAHLLOKOSA-N 2 0 288.420 2.595 20 0 CFADRP CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cnc(C)n2C)C1 ZINC000597026486 350018019 /nfs/dbraw/zinc/01/80/19/350018019.db2.gz IVEVYVHNMAAJGQ-OCCSQVGLSA-N 2 0 267.442 2.835 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000597256191 350074175 /nfs/dbraw/zinc/07/41/75/350074175.db2.gz MHBRDAOMANZMAU-HNNXBMFYSA-N 2 0 282.497 2.984 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)C1CC[NH+](C)CC1 ZINC000128927522 539745982 /nfs/dbraw/zinc/74/59/82/539745982.db2.gz XKRODIDHHZDBNL-OAHLLOKOSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000090720970 180031826 /nfs/dbraw/zinc/03/18/26/180031826.db2.gz BAYJCRDPEXRCTP-XJKSGUPXSA-N 2 0 269.392 2.807 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000090720485 180030843 /nfs/dbraw/zinc/03/08/43/180030843.db2.gz ALXUYVAAOFDZGQ-TZMCWYRMSA-N 2 0 257.381 2.740 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000222417113 539759543 /nfs/dbraw/zinc/75/95/43/539759543.db2.gz DUVVIJXCJYJKPB-JKSUJKDBSA-N 3 0 281.488 2.571 20 0 CFADRP Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000131442815 539760180 /nfs/dbraw/zinc/76/01/80/539760180.db2.gz QUAFQQHFNVWQSM-UHFFFAOYSA-N 2 0 274.408 2.700 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)CC[NH2+]1 ZINC000414699167 233331482 /nfs/dbraw/zinc/33/14/82/233331482.db2.gz DKQNRGYAAMCGDN-IXYNUQLISA-N 2 0 294.464 2.898 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccc1)C1CC[NH+](C)CC1 ZINC000132138105 539774039 /nfs/dbraw/zinc/77/40/39/539774039.db2.gz GMKJDGFUBHSUPK-HNNXBMFYSA-N 2 0 275.440 2.809 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(N(C)C)c2)C1 ZINC000081570237 539774921 /nfs/dbraw/zinc/77/49/21/539774921.db2.gz NDOWAFKWDUWKLW-KRWDZBQOSA-N 2 0 289.467 2.916 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1C ZINC000414794835 233353916 /nfs/dbraw/zinc/35/39/16/233353916.db2.gz MGOXJJHVTMRPGI-DZGCQCFKSA-N 2 0 291.439 2.593 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414798424 233355662 /nfs/dbraw/zinc/35/56/62/233355662.db2.gz QLLPBFVRYXGFEH-IUODEOHRSA-N 2 0 258.365 2.958 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414800826 233355889 /nfs/dbraw/zinc/35/58/89/233355889.db2.gz LLXXRPSWEXXHNZ-ZFWWWQNUSA-N 2 0 298.377 2.938 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000414799469 233356713 /nfs/dbraw/zinc/35/67/13/233356713.db2.gz JXQKMGUOLWLLKH-GOEBONIOSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@H]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000414764924 233345028 /nfs/dbraw/zinc/34/50/28/233345028.db2.gz FFRKKIPPPYAJRH-YHUYYLMFSA-N 2 0 250.430 2.744 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414773193 233347023 /nfs/dbraw/zinc/34/70/23/233347023.db2.gz WSBGMWINOLBAJB-MHORFTMASA-N 2 0 270.420 2.722 20 0 CFADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(F)c1F ZINC000414773541 233347186 /nfs/dbraw/zinc/34/71/86/233347186.db2.gz DNKVQQLRYRAOAZ-CHWSQXEVSA-N 2 0 298.352 2.925 20 0 CFADRP Fc1cccc(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414781668 233349292 /nfs/dbraw/zinc/34/92/92/233349292.db2.gz NKJNULWHGCLHGA-OLZOCXBDSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000414791624 233352020 /nfs/dbraw/zinc/35/20/20/233352020.db2.gz ICHQQMBCQVUKTE-BXUZGUMPSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414794209 233353342 /nfs/dbraw/zinc/35/33/42/233353342.db2.gz FJVRBHREXUFECK-ZWNOBZJWSA-N 2 0 272.314 2.711 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414846329 233376394 /nfs/dbraw/zinc/37/63/94/233376394.db2.gz GWCVFLOGUNMIEU-BGGTVIOKSA-N 2 0 262.372 2.818 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000414801823 233357776 /nfs/dbraw/zinc/35/77/76/233357776.db2.gz MHEWQDBQSHDIDT-RDJZCZTQSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000414802337 233357796 /nfs/dbraw/zinc/35/77/96/233357796.db2.gz MSBJEHXKVJMRHB-RDJZCZTQSA-N 2 0 276.424 2.953 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414807008 233359890 /nfs/dbraw/zinc/35/98/90/233359890.db2.gz ZYYVEFGYPGCRPJ-YPMHNXCESA-N 2 0 288.313 2.802 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000414807138 233360201 /nfs/dbraw/zinc/36/02/01/233360201.db2.gz QWRVHFVLLCMZQX-XIRDDKMYSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cncc(F)c2)cc1 ZINC000414809803 233361277 /nfs/dbraw/zinc/36/12/77/233361277.db2.gz HAHCMBKONDOPRI-LLVKDONJSA-N 2 0 259.328 2.530 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000414811818 233362109 /nfs/dbraw/zinc/36/21/09/233362109.db2.gz WQOPTAYCCHQNAX-UXIGCNINSA-N 2 0 250.361 2.646 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414811161 233362294 /nfs/dbraw/zinc/36/22/94/233362294.db2.gz JDHDWYMYIOGSLV-XYPWUTKMSA-N 2 0 267.376 2.607 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414811797 233362635 /nfs/dbraw/zinc/36/26/35/233362635.db2.gz WOAZJZBTNGGPOJ-WPRPVWTQSA-N 2 0 278.343 2.984 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414822134 233365981 /nfs/dbraw/zinc/36/59/81/233365981.db2.gz CGMPAGIYLSUDEK-LBPRGKRZSA-N 2 0 252.789 2.738 20 0 CFADRP c1ccc(CSCC[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414825523 233367963 /nfs/dbraw/zinc/36/79/63/233367963.db2.gz CLCWRITUGPXFPS-CQSZACIVSA-N 2 0 264.438 2.509 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414828845 233369199 /nfs/dbraw/zinc/36/91/99/233369199.db2.gz JNVYFSPYVJEMPD-NSHDSACASA-N 2 0 272.314 2.795 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414831332 233370162 /nfs/dbraw/zinc/37/01/62/233370162.db2.gz NDQWGESBRJMGGX-KGLIPLIRSA-N 2 0 278.465 2.929 20 0 CFADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000105454912 186057862 /nfs/dbraw/zinc/05/78/62/186057862.db2.gz MFDPVAKAHWHFIO-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CCn1nc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000414833010 233371693 /nfs/dbraw/zinc/37/16/93/233371693.db2.gz FRXCOPNIEQXDQJ-CQSZACIVSA-N 2 0 286.423 2.536 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000414833789 233371746 /nfs/dbraw/zinc/37/17/46/233371746.db2.gz QFFWJXADDNBXIF-HDEZJCGLSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414834417 233371960 /nfs/dbraw/zinc/37/19/60/233371960.db2.gz QRIUBUKFYGKPBJ-TZMCWYRMSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000105480446 186059505 /nfs/dbraw/zinc/05/95/05/186059505.db2.gz YCHKQOBBERRPDQ-FZMZJTMJSA-N 2 0 284.350 2.718 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000414838886 233373964 /nfs/dbraw/zinc/37/39/64/233373964.db2.gz LUFYYYFZDZQZPS-WMLDXEAASA-N 2 0 288.435 2.532 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414839496 233374429 /nfs/dbraw/zinc/37/44/29/233374429.db2.gz WLDSYPHVLNLSPJ-NVXWUHKLSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@H](C[NH2+]CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000414839664 233374474 /nfs/dbraw/zinc/37/44/74/233374474.db2.gz MEPWMRYHUHBAAW-RDJZCZTQSA-N 2 0 260.425 2.845 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000414843500 233374884 /nfs/dbraw/zinc/37/48/84/233374884.db2.gz PZDLDYXPJZMYTF-LSYFEZSPSA-N 2 0 280.362 2.957 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1Oc1cccnc1 ZINC000414876318 233386960 /nfs/dbraw/zinc/38/69/60/233386960.db2.gz LDZVDFGZGSBCBM-CYBMUJFWSA-N 2 0 285.391 2.867 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000414876571 233386994 /nfs/dbraw/zinc/38/69/94/233386994.db2.gz LQGPPYCDCWLZAN-CVEARBPZSA-N 2 0 258.409 2.869 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414888523 233390782 /nfs/dbraw/zinc/39/07/82/233390782.db2.gz SEGUSJRKYOUAJR-GVDBMIGSSA-N 2 0 258.409 2.739 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414895571 233391337 /nfs/dbraw/zinc/39/13/37/233391337.db2.gz XWTHSESCYQTYMA-BBWFWOEESA-N 2 0 258.409 2.958 20 0 CFADRP C[C@@]1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCC[NH2+]C1 ZINC000414900956 233392621 /nfs/dbraw/zinc/39/26/21/233392621.db2.gz FNIOEJSRILWXKO-SFHVURJKSA-N 2 0 288.435 2.533 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414902596 233393661 /nfs/dbraw/zinc/39/36/61/233393661.db2.gz KXMAUEHCYISKPS-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000414912699 233396870 /nfs/dbraw/zinc/39/68/70/233396870.db2.gz VQWQESFJZKGLBB-MRXNPFEDSA-N 2 0 288.435 2.532 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414854896 233379591 /nfs/dbraw/zinc/37/95/91/233379591.db2.gz VJCBRJCJLLAQMZ-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCC[NH2+]C1 ZINC000414858556 233381737 /nfs/dbraw/zinc/38/17/37/233381737.db2.gz RXVMTVFKJXJUIR-ZFWWWQNUSA-N 2 0 284.407 2.554 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414988359 233427469 /nfs/dbraw/zinc/42/74/69/233427469.db2.gz FSKNXDDFKSBGCU-ROYPNMTOSA-N 2 0 270.420 2.896 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414998519 233429071 /nfs/dbraw/zinc/42/90/71/233429071.db2.gz IBXHSNWTBSYFNE-IUODEOHRSA-N 2 0 250.361 2.741 20 0 CFADRP c1ccc2cc(OCC[NH2+][C@H]3CCC[NH2+]CC3)ccc2c1 ZINC000415080385 233459018 /nfs/dbraw/zinc/45/90/18/233459018.db2.gz JEGRTPPKZXOLGB-KRWDZBQOSA-N 2 0 284.403 2.950 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)nc3ccccc23)CC1 ZINC000092345952 180366183 /nfs/dbraw/zinc/36/61/83/180366183.db2.gz OIUDXZBBXUAZSA-UHFFFAOYSA-N 2 0 283.419 2.975 20 0 CFADRP CC[C@H](C(=O)OC)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657637 350475531 /nfs/dbraw/zinc/47/55/31/350475531.db2.gz JAEPVVGKTUFCKL-MRXNPFEDSA-N 2 0 292.423 2.522 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2F)CC1 ZINC000107712947 186188393 /nfs/dbraw/zinc/18/83/93/186188393.db2.gz ARESTTVRSAMXHD-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP COC[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309647085 539804912 /nfs/dbraw/zinc/80/49/12/539804912.db2.gz DAKYLDWOPIPEAK-FUHWJXTLSA-N 2 0 290.451 2.771 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000602018413 350833096 /nfs/dbraw/zinc/83/30/96/350833096.db2.gz BJJQJQWPPHCXEA-GVXVVHGQSA-N 2 0 296.436 2.703 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000111234592 186373460 /nfs/dbraw/zinc/37/34/60/186373460.db2.gz PTNJTBKGPPGNNE-GFCCVEGCSA-N 2 0 260.406 2.943 20 0 CFADRP Cc1ccc(CC[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000605574609 351253744 /nfs/dbraw/zinc/25/37/44/351253744.db2.gz QLACFPRLAMODLT-UHFFFAOYSA-N 2 0 290.451 2.580 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000608061981 351392935 /nfs/dbraw/zinc/39/29/35/351392935.db2.gz NWDPVXWKJBSCNG-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000608497880 351444760 /nfs/dbraw/zinc/44/47/60/351444760.db2.gz QMYUPSGERVUEPB-INIZCTEOSA-N 2 0 275.440 2.526 20 0 CFADRP COCC1([NH2+]C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000668811109 539819704 /nfs/dbraw/zinc/81/97/04/539819704.db2.gz NFVJHMAZGWPJMJ-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000611366653 351675507 /nfs/dbraw/zinc/67/55/07/351675507.db2.gz FYUFSTXARFHLNP-HUUCEWRRSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCCS1)C1CC[NH+](C)CC1 ZINC000134007032 539823111 /nfs/dbraw/zinc/82/31/11/539823111.db2.gz SOWBDUSXWXUSMO-JSGCOSHPSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000121863183 187001364 /nfs/dbraw/zinc/00/13/64/187001364.db2.gz BPABVIMLQLXKLK-INIZCTEOSA-N 2 0 298.434 2.657 20 0 CFADRP C[C@H](CNCc1ccccc1Br)C[NH+](C)C ZINC000291728565 198072380 /nfs/dbraw/zinc/07/23/80/198072380.db2.gz NLLAYGDTMWTESE-LLVKDONJSA-N 2 0 285.229 2.736 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000121681374 186989111 /nfs/dbraw/zinc/98/91/11/186989111.db2.gz NKVWRUYNEVIQDI-KEYYUXOJSA-N 2 0 294.414 2.913 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000123134453 187073406 /nfs/dbraw/zinc/07/34/06/187073406.db2.gz BPLBLCLDEDRCHP-UHFFFAOYSA-N 2 0 296.377 2.619 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000122394449 187030123 /nfs/dbraw/zinc/03/01/23/187030123.db2.gz SXKFHGKXTRJCFD-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1)C[NH+](C)C ZINC000291752501 198079793 /nfs/dbraw/zinc/07/97/93/198079793.db2.gz QHENEIUVAPZVSO-NSHDSACASA-N 2 0 272.339 2.575 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000122817417 187053545 /nfs/dbraw/zinc/05/35/45/187053545.db2.gz UTVZFPOFPJRULE-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000122817272 187053634 /nfs/dbraw/zinc/05/36/34/187053634.db2.gz UTVZFPOFPJRULE-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000122985346 187063985 /nfs/dbraw/zinc/06/39/85/187063985.db2.gz USMVHEWPHZLQIU-DGCLKSJQSA-N 2 0 250.411 2.771 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cnn(C)c1 ZINC000123031990 187066865 /nfs/dbraw/zinc/06/68/65/187066865.db2.gz ONNYDPSXSRPVFK-HNNXBMFYSA-N 2 0 298.434 2.867 20 0 CFADRP FCCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000367446481 303127493 /nfs/dbraw/zinc/12/74/93/303127493.db2.gz FGCHIULIJGERDB-RBSFLKMASA-N 2 0 254.393 2.542 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000614256138 352071207 /nfs/dbraw/zinc/07/12/07/352071207.db2.gz XJEAEGHDPKQMHF-UHFFFAOYSA-N 2 0 298.390 2.527 20 0 CFADRP COc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1F ZINC000226350002 539858584 /nfs/dbraw/zinc/85/85/84/539858584.db2.gz OTWWSXDXIQYMIK-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271549506 191206448 /nfs/dbraw/zinc/20/64/48/191206448.db2.gz VKTVVJFDYBILRT-ZFWWWQNUSA-N 2 0 294.464 2.783 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292053788 198147875 /nfs/dbraw/zinc/14/78/75/198147875.db2.gz BTWRIZUWJGYYGY-KRWDZBQOSA-N 2 0 258.409 2.777 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CCCN(C)C2)ccc1OC ZINC000619771158 353065237 /nfs/dbraw/zinc/06/52/37/353065237.db2.gz RZKDBGBKMFSIFO-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP CCCOc1cc(C[NH2+][C@H]2CCCN(C)C2)ccc1OC ZINC000619771157 353065258 /nfs/dbraw/zinc/06/52/58/353065258.db2.gz RZKDBGBKMFSIFO-HNNXBMFYSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152437372 188018799 /nfs/dbraw/zinc/01/87/99/188018799.db2.gz TWKBYNZETDWJQW-HIFRSBDPSA-N 2 0 276.399 2.831 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000336690772 295854473 /nfs/dbraw/zinc/85/44/73/295854473.db2.gz HIZWAZVCCGXWEU-WHXUTIOJSA-N 2 0 252.324 2.825 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000154557155 188150046 /nfs/dbraw/zinc/15/00/46/188150046.db2.gz HIQONKQDXGLHCH-IJEWVQPXSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000156202298 188248968 /nfs/dbraw/zinc/24/89/68/188248968.db2.gz ROSYTVJZQWVKPQ-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000156468958 188264220 /nfs/dbraw/zinc/26/42/20/188264220.db2.gz ZOSFMVXBYQOGAE-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156938772 188288763 /nfs/dbraw/zinc/28/87/63/188288763.db2.gz IUTKZWPBQVXLBV-INMHGKMJSA-N 2 0 276.424 2.522 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621620812 353385477 /nfs/dbraw/zinc/38/54/77/353385477.db2.gz ITTXAWUOFOTXDM-CQSZACIVSA-N 2 0 289.423 2.514 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000621775504 353422561 /nfs/dbraw/zinc/42/25/61/353422561.db2.gz QLZWUFVPLDNOSI-GJZGRUSLSA-N 2 0 293.842 2.947 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000621776157 353422639 /nfs/dbraw/zinc/42/26/39/353422639.db2.gz DDURILQGEYPGQR-OAHLLOKOSA-N 2 0 293.842 2.947 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000621775635 353422708 /nfs/dbraw/zinc/42/27/08/353422708.db2.gz VGFUTPBKFLWXJL-IAGOWNOFSA-N 2 0 273.424 2.602 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2nccnc2C)CC1 ZINC000621711194 353399772 /nfs/dbraw/zinc/39/97/72/353399772.db2.gz ITUATQBTOQSYME-UHFFFAOYSA-N 2 0 290.455 2.729 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OC ZINC000622044830 353469286 /nfs/dbraw/zinc/46/92/86/353469286.db2.gz URFDUAMRSVSJQQ-RWMBFGLXSA-N 2 0 280.412 2.523 20 0 CFADRP CC1CC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000622044762 353469346 /nfs/dbraw/zinc/46/93/46/353469346.db2.gz RNNHDIJLGKMDSK-WOVHFWOGSA-N 2 0 286.419 2.878 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]CCc3cncn3C)cc21 ZINC000623085826 353585142 /nfs/dbraw/zinc/58/51/42/353585142.db2.gz HREZAWWSVNSJRU-UHFFFAOYSA-N 2 0 268.364 2.542 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623353011 353621873 /nfs/dbraw/zinc/62/18/73/353621873.db2.gz YDEWKXSKKGHXGU-MRXNPFEDSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623353474 353622915 /nfs/dbraw/zinc/62/29/15/353622915.db2.gz MXPCDIMSGJORRX-HZPDHXFCSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623372937 353628181 /nfs/dbraw/zinc/62/81/81/353628181.db2.gz MHQXWHSAEYNFCE-CVEARBPZSA-N 3 0 295.515 2.959 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1(C)C ZINC000623381718 353630514 /nfs/dbraw/zinc/63/05/14/353630514.db2.gz CKEZZZRCKWSARG-OCCSQVGLSA-N 2 0 289.423 2.627 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)CC1(C)C ZINC000623381381 353630544 /nfs/dbraw/zinc/63/05/44/353630544.db2.gz QXPLNGNKRYJJEI-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623403322 353635447 /nfs/dbraw/zinc/63/54/47/353635447.db2.gz ROPOPONCMPUKOW-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP Cc1ccn2cc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)nc2c1 ZINC000623402312 353635671 /nfs/dbraw/zinc/63/56/71/353635671.db2.gz GDNPFUHHVHUASD-AWEZNQCLSA-N 2 0 286.423 2.605 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623425158 353640578 /nfs/dbraw/zinc/64/05/78/353640578.db2.gz SRNJPGKZJQCYCD-CRCOGDFISA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623425160 353640943 /nfs/dbraw/zinc/64/09/43/353640943.db2.gz SRNJPGKZJQCYCD-WGMGUUHVSA-N 2 0 294.483 2.900 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2)CC1(C)C ZINC000623424225 353641054 /nfs/dbraw/zinc/64/10/54/353641054.db2.gz HVLWXYMTFOFSNW-INIZCTEOSA-N 2 0 275.440 2.951 20 0 CFADRP CCCC[C@@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623425185 353641060 /nfs/dbraw/zinc/64/10/60/353641060.db2.gz UNISFBWMDCNJBL-KBPBESRZSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)CC1(C)C ZINC000623437226 353644641 /nfs/dbraw/zinc/64/46/41/353644641.db2.gz XPMOBHPPLJGPIH-JTQLQIEISA-N 2 0 252.324 2.791 20 0 CFADRP COC1CCC(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623441405 353645668 /nfs/dbraw/zinc/64/56/68/353645668.db2.gz RSDVAYAHGYKDDR-SLTAFYQDSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440795 353645689 /nfs/dbraw/zinc/64/56/89/353645689.db2.gz LHWIUWQPWREAIW-OAGGEKHMSA-N 2 0 282.472 2.900 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623338375 353617597 /nfs/dbraw/zinc/61/75/97/353617597.db2.gz XOZVTOPAKXAIBD-HNNXBMFYSA-N 2 0 276.424 2.700 20 0 CFADRP C[N@@H+]1CC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1(C)C ZINC000623341250 353618542 /nfs/dbraw/zinc/61/85/42/353618542.db2.gz UCLREZQRSIRAQT-CYBMUJFWSA-N 2 0 281.488 2.758 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623343405 353619803 /nfs/dbraw/zinc/61/98/03/353619803.db2.gz QTRXWRKMSWDPNL-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2)CC1(C)C ZINC000623344250 353619875 /nfs/dbraw/zinc/61/98/75/353619875.db2.gz CMTWWHDMZJRBEV-OAHLLOKOSA-N 2 0 276.424 2.918 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccnn1C ZINC000623504328 353659078 /nfs/dbraw/zinc/65/90/78/353659078.db2.gz JONNUSVFRJZNGR-GJZGRUSLSA-N 2 0 292.471 2.622 20 0 CFADRP C[N@@H+]1CC[C@H](NCc2ccc3c(n2)CCCC3)CC1(C)C ZINC000623508196 353659786 /nfs/dbraw/zinc/65/97/86/353659786.db2.gz MOYABXUEVDCFEL-HNNXBMFYSA-N 2 0 287.451 2.923 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623521584 353662551 /nfs/dbraw/zinc/66/25/51/353662551.db2.gz YTDNZTXKZGJZDQ-INIZCTEOSA-N 2 0 275.440 2.785 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc32)CC1(C)C ZINC000623526690 353664340 /nfs/dbraw/zinc/66/43/40/353664340.db2.gz OACFLVWEKFEYGX-KBPBESRZSA-N 2 0 274.408 2.625 20 0 CFADRP CCc1nc(C)c(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000623531172 353664991 /nfs/dbraw/zinc/66/49/91/353664991.db2.gz LIVDUVCNSMKCET-GFCCVEGCSA-N 2 0 265.401 2.508 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc2n[nH]cc21)C1CC1 ZINC000623544969 353667999 /nfs/dbraw/zinc/66/79/99/353667999.db2.gz VILJIUYDLARYJC-UHFFFAOYSA-N 2 0 272.396 2.527 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC23CCSCC3)CC1(C)C ZINC000623552530 353669657 /nfs/dbraw/zinc/66/96/57/353669657.db2.gz JWWPLRPSFDOLBJ-UONOGXRCSA-N 2 0 282.497 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC1(C)C ZINC000623557530 353671175 /nfs/dbraw/zinc/67/11/75/353671175.db2.gz AJSWYSZCEBLLTG-MELADBBJSA-N 2 0 268.445 2.795 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574518 353675925 /nfs/dbraw/zinc/67/59/25/353675925.db2.gz QHAIZFQESILLSJ-OIISXLGYSA-N 2 0 290.451 2.613 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2cccc(F)c2F)C1 ZINC000623656524 353697303 /nfs/dbraw/zinc/69/73/03/353697303.db2.gz WCRKBGJNMXTHIU-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CCCC23CC3)n(-c2cc[nH+]cc2)n1 ZINC000623826149 353733512 /nfs/dbraw/zinc/73/35/12/353733512.db2.gz VHENVQNOFXSTFO-AWEZNQCLSA-N 2 0 282.391 2.937 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc1C ZINC000623657748 353697944 /nfs/dbraw/zinc/69/79/44/353697944.db2.gz XYIGIOAJGWGMNU-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000623657037 353698457 /nfs/dbraw/zinc/69/84/57/353698457.db2.gz IOXTXELCWRNUNL-HNNXBMFYSA-N 2 0 272.436 2.997 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657673 353698542 /nfs/dbraw/zinc/69/85/42/353698542.db2.gz WJUWHSPFDHTLQH-XHSDSOJGSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCCO1 ZINC000623894879 353751945 /nfs/dbraw/zinc/75/19/45/353751945.db2.gz DERKMAAHUTXJLZ-SOUVJXGZSA-N 2 0 270.461 2.900 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624078053 353800023 /nfs/dbraw/zinc/80/00/23/353800023.db2.gz NRLYHQRXWPMVEO-HIFRSBDPSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120718 353810320 /nfs/dbraw/zinc/81/03/20/353810320.db2.gz FPONSTPLBPCQJC-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122600 353811404 /nfs/dbraw/zinc/81/14/04/353811404.db2.gz WNZZDOQQBZUJIV-LSDHHAIUSA-N 2 0 261.413 2.773 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624122605 353811698 /nfs/dbraw/zinc/81/16/98/353811698.db2.gz WPTPBMILHHFYTI-LSDHHAIUSA-N 2 0 261.413 2.773 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C[C@@H]1OC ZINC000624122367 353811905 /nfs/dbraw/zinc/81/19/05/353811905.db2.gz PGLQKGNCZFIJKM-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000624124029 353812599 /nfs/dbraw/zinc/81/25/99/353812599.db2.gz VRIBZVMDNSWSBD-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCSCC1 ZINC000624124180 353812846 /nfs/dbraw/zinc/81/28/46/353812846.db2.gz ZHJOLJBGRTUPNQ-ZIAGYGMSSA-N 2 0 270.486 2.840 20 0 CFADRP c1n[nH]cc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000624212161 353835840 /nfs/dbraw/zinc/83/58/40/353835840.db2.gz UXKCYVMBYPAFSF-UHFFFAOYSA-N 2 0 284.407 2.685 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)[C@H](C)C1 ZINC000624313359 353860353 /nfs/dbraw/zinc/86/03/53/353860353.db2.gz KZYSSMNUJVJKST-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(C)COC1 ZINC000626061950 354183473 /nfs/dbraw/zinc/18/34/73/354183473.db2.gz ASCWZKDVPCCWEG-UHFFFAOYSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000310104450 291025449 /nfs/dbraw/zinc/02/54/49/291025449.db2.gz MRFFGUHOKCKZBF-AAEUAGOBSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000449103241 291030741 /nfs/dbraw/zinc/03/07/41/291030741.db2.gz AAAIEZQISHGQNS-XJKSGUPXSA-N 2 0 282.497 2.982 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000628175488 354460393 /nfs/dbraw/zinc/46/03/93/354460393.db2.gz ZCSNLBJTLDMSFG-DLBZAZTESA-N 2 0 296.499 2.981 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CCCS2)C1 ZINC000628186113 354467186 /nfs/dbraw/zinc/46/71/86/354467186.db2.gz XWSCJKCPKGGBQS-CABCVRRESA-N 2 0 270.486 2.936 20 0 CFADRP Cc1ccc([C@@H](C)C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000628203559 354475734 /nfs/dbraw/zinc/47/57/34/354475734.db2.gz NCERFYLKAJLFCG-KRWDZBQOSA-N 2 0 290.451 2.801 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628214035 354479531 /nfs/dbraw/zinc/47/95/31/354479531.db2.gz ILCIMHLBQBZHGI-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@]1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CCCS1 ZINC000628253764 354504810 /nfs/dbraw/zinc/50/48/10/354504810.db2.gz WIJIEWYSPPDJKV-HNNXBMFYSA-N 2 0 268.470 2.736 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](C[C@]3(C)CCCS3)C2)CC1 ZINC000628280028 354516869 /nfs/dbraw/zinc/51/68/69/354516869.db2.gz MHMSKHRMFRCAFF-CVEARBPZSA-N 2 0 282.497 2.936 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4[nH]ccc4c3)C2)C1 ZINC000628292702 354524281 /nfs/dbraw/zinc/52/42/81/354524281.db2.gz QDODEZXKPCQGBG-KRWDZBQOSA-N 2 0 269.392 2.696 20 0 CFADRP C/C=C/C[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628494833 354609285 /nfs/dbraw/zinc/60/92/85/354609285.db2.gz AKEIVSGSOMVPKO-VBROQKIQSA-N 2 0 276.428 2.664 20 0 CFADRP C[NH2+]C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000339415352 540035291 /nfs/dbraw/zinc/03/52/91/540035291.db2.gz QZQOHNJFYQJGHD-UHFFFAOYSA-N 2 0 262.397 2.529 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000629389824 354800072 /nfs/dbraw/zinc/80/00/72/354800072.db2.gz AWDYMQYEKSBMJO-XOYOTBSWSA-N 2 0 287.451 2.552 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000629528842 354833039 /nfs/dbraw/zinc/83/30/39/354833039.db2.gz KVRABYJGVNCHNK-AWEZNQCLSA-N 2 0 264.413 2.697 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCOCCC[NH3+] ZINC000629400220 354802792 /nfs/dbraw/zinc/80/27/92/354802792.db2.gz QPQIRILTOMLZPN-LSDHHAIUSA-N 2 0 256.434 2.546 20 0 CFADRP CC(C)(C)C1CCC(C[NH2+]CCOCCC[NH3+])CC1 ZINC000629400359 354802803 /nfs/dbraw/zinc/80/28/03/354802803.db2.gz VHGMZLPPUNZHGL-UHFFFAOYSA-N 2 0 270.461 2.794 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000629398467 354802807 /nfs/dbraw/zinc/80/28/07/354802807.db2.gz UAAQXKNLDTWNDS-IAGOWNOFSA-N 2 0 276.424 2.668 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000629398468 354803120 /nfs/dbraw/zinc/80/31/20/354803120.db2.gz UAAQXKNLDTWNDS-IRXDYDNUSA-N 2 0 276.424 2.668 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000629400346 354803168 /nfs/dbraw/zinc/80/31/68/354803168.db2.gz UZUVIGWBXPDLSG-ZBFHGGJFSA-N 2 0 296.842 2.931 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCOCCC[NH3+])CC1 ZINC000629400297 354803223 /nfs/dbraw/zinc/80/32/23/354803223.db2.gz TUFODUBOGNVJPH-CABCVRRESA-N 2 0 270.461 2.936 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000629530701 354833697 /nfs/dbraw/zinc/83/36/97/354833697.db2.gz NUJOLDXFHNYTFC-GFCCVEGCSA-N 2 0 278.421 2.788 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1F ZINC000629506962 354822875 /nfs/dbraw/zinc/82/28/75/354822875.db2.gz IYGMPCWHVJTHQW-HNNXBMFYSA-N 2 0 292.398 2.623 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1 ZINC000629511325 354823830 /nfs/dbraw/zinc/82/38/30/354823830.db2.gz YBKDYBLBHUJDKB-UHFFFAOYSA-N 2 0 289.354 2.651 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc2c1 ZINC000629516811 354825526 /nfs/dbraw/zinc/82/55/26/354825526.db2.gz QYCCFXAOUQKFAM-UONOGXRCSA-N 2 0 269.392 2.712 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CCC2)nc1 ZINC000629520412 354827579 /nfs/dbraw/zinc/82/75/79/354827579.db2.gz VTCQKOWYIVDLNT-YFHUEUNASA-N 2 0 285.435 2.901 20 0 CFADRP CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC)cc1 ZINC000629520275 354827913 /nfs/dbraw/zinc/82/79/13/354827913.db2.gz FFMSBZIUNRQJFG-INIZCTEOSA-N 2 0 292.423 2.634 20 0 CFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629522779 354828814 /nfs/dbraw/zinc/82/88/14/354828814.db2.gz BCQPWUBABHQNDN-MRXNPFEDSA-N 2 0 288.435 2.778 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)nc1 ZINC000629522855 354828932 /nfs/dbraw/zinc/82/89/32/354828932.db2.gz HUMRAGBIZMHGPN-UHFFFAOYSA-N 2 0 275.440 2.775 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522500 354828970 /nfs/dbraw/zinc/82/89/70/354828970.db2.gz BIKOGKHGBLEAHS-LLVKDONJSA-N 2 0 296.798 2.930 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000629524934 354829878 /nfs/dbraw/zinc/82/98/78/354829878.db2.gz VPRXGTTUXRWHEO-CABCVRRESA-N 2 0 275.440 2.917 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000629531039 354834218 /nfs/dbraw/zinc/83/42/18/354834218.db2.gz YEKWWQPKDVHNIM-DLBZAZTESA-N 2 0 276.424 2.697 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000629528510 354831630 /nfs/dbraw/zinc/83/16/30/354831630.db2.gz AZVUSYWBOJEEOU-HNNXBMFYSA-N 2 0 299.418 2.635 20 0 CFADRP COCc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000629650396 354876696 /nfs/dbraw/zinc/87/66/96/354876696.db2.gz UFCBGSKBKSMVOB-OAHLLOKOSA-N 2 0 292.423 2.638 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000629535512 354835861 /nfs/dbraw/zinc/83/58/61/354835861.db2.gz DQIIAVFFSAMIMA-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CCOCCC[NH3+])C2CCC2)cc1 ZINC000629539013 354837448 /nfs/dbraw/zinc/83/74/48/354837448.db2.gz OSVIIDFMDGOWIG-KRWDZBQOSA-N 2 0 276.424 2.791 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000629540126 354838576 /nfs/dbraw/zinc/83/85/76/354838576.db2.gz UNZUTOOGNJNJFB-GDBMZVCRSA-N 2 0 296.842 2.931 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(C2CC2)c1 ZINC000629540263 354838786 /nfs/dbraw/zinc/83/87/86/354838786.db2.gz VDHWEJYOYMVQPH-CYBMUJFWSA-N 2 0 262.397 2.580 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])[C@@H](C)C1CCCCC1 ZINC000629542192 354839724 /nfs/dbraw/zinc/83/97/24/354839724.db2.gz WNTRMUBJXXICPG-KGLIPLIRSA-N 2 0 256.434 2.546 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)CO2 ZINC000629652874 354878260 /nfs/dbraw/zinc/87/82/60/354878260.db2.gz FEGGPBNYFFNHLN-QZTJIDSGSA-N 2 0 298.430 2.784 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629653887 354878325 /nfs/dbraw/zinc/87/83/25/354878325.db2.gz LZYZMXJEELTJMK-CQSZACIVSA-N 2 0 272.392 2.523 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000629547998 354843388 /nfs/dbraw/zinc/84/33/88/354843388.db2.gz OJKNKZUGJOYJBG-FVQBIDKESA-N 2 0 268.445 2.641 20 0 CFADRP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[NH2+]C1 ZINC000629547789 354843884 /nfs/dbraw/zinc/84/38/84/354843884.db2.gz FZPRQSJDBGVGGY-RWMBFGLXSA-N 2 0 258.356 2.638 20 0 CFADRP C[C@@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@@H](C)C1(F)F ZINC000629552380 354845723 /nfs/dbraw/zinc/84/57/23/354845723.db2.gz IRICYPOGFUZRSJ-CHWSQXEVSA-N 2 0 274.399 2.989 20 0 CFADRP COc1ccc([C@H]2CCCC[C@H]2N[C@@H]2CC[NH2+]C2)cc1F ZINC000629553470 354845789 /nfs/dbraw/zinc/84/57/89/354845789.db2.gz QXPIGMCVYRNFMD-IIAWOOMASA-N 2 0 292.398 2.812 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2c1cccc2Cl)C1C[NH2+]C1 ZINC000629556741 354847059 /nfs/dbraw/zinc/84/70/59/354847059.db2.gz XJYURDVRWXHUMF-JTQLQIEISA-N 2 0 277.799 2.561 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000629652629 354878541 /nfs/dbraw/zinc/87/85/41/354878541.db2.gz KESVJUXFBATELY-UHFFFAOYSA-N 2 0 291.222 2.661 20 0 CFADRP CCC(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559242 354847860 /nfs/dbraw/zinc/84/78/60/354847860.db2.gz ALJVNGKNNSQZJS-NWDGAFQWSA-N 2 0 266.351 2.882 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629563423 354847935 /nfs/dbraw/zinc/84/79/35/354847935.db2.gz PRHXXYVIPBXOKQ-UONOGXRCSA-N 2 0 286.341 2.688 20 0 CFADRP CC1(C)CC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629565625 354848904 /nfs/dbraw/zinc/84/89/04/354848904.db2.gz WOKBLCCTEGQALJ-VXGBXAGGSA-N 2 0 278.362 2.882 20 0 CFADRP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCOCC[NH2+]C ZINC000629571554 354849066 /nfs/dbraw/zinc/84/90/66/354849066.db2.gz OEDCQSZFSSVODS-OAHLLOKOSA-N 2 0 284.831 2.959 20 0 CFADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCOCC[NH3+])cc1 ZINC000629581126 354850382 /nfs/dbraw/zinc/85/03/82/354850382.db2.gz NUIXUZXROOCZGD-CQSZACIVSA-N 2 0 264.413 2.778 20 0 CFADRP CCc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596312 354855142 /nfs/dbraw/zinc/85/51/42/354855142.db2.gz WMMWWHCECLOLSW-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP Fc1ccc2c(c1)OCC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000629595561 354855305 /nfs/dbraw/zinc/85/53/05/354855305.db2.gz SQXIKQKXGQPSFG-UHFFFAOYSA-N 2 0 292.398 2.800 20 0 CFADRP Cc1cnccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629697695 354898645 /nfs/dbraw/zinc/89/86/45/354898645.db2.gz PQAYALSCPVGGDE-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cccc([C@@H]([NH3+])CO)c2)cc1F ZINC000629709330 354904198 /nfs/dbraw/zinc/90/41/98/354904198.db2.gz UQQZJPWJUQBUPN-KRWDZBQOSA-N 2 0 288.366 2.546 20 0 CFADRP CC(C)(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657375 354880462 /nfs/dbraw/zinc/88/04/62/354880462.db2.gz XAMOVCFCMAHESI-WDEREUQCSA-N 2 0 266.351 2.882 20 0 CFADRP CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000629657215 354880590 /nfs/dbraw/zinc/88/05/90/354880590.db2.gz UYPPQHDGKUWTEX-GHMZBOCLSA-N 2 0 264.335 2.636 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1C ZINC000270662495 540097746 /nfs/dbraw/zinc/09/77/46/540097746.db2.gz PEYPZDVOASJLFI-MRXNPFEDSA-N 2 0 276.424 2.777 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268851913 540095826 /nfs/dbraw/zinc/09/58/26/540095826.db2.gz GFCHYEFQVRFBRA-GOSISDBHSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1ncc(C[NH2+]CC2=CC[N@H+](C)CC2)n1-c1ccccc1 ZINC000271791510 191329450 /nfs/dbraw/zinc/32/94/50/191329450.db2.gz GZLCJTKQCUAOBT-UHFFFAOYSA-N 2 0 296.418 2.532 20 0 CFADRP CCC[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000271832690 191355279 /nfs/dbraw/zinc/35/52/79/191355279.db2.gz PAPSLMSNSVMQGT-KRWDZBQOSA-N 2 0 290.451 2.617 20 0 CFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)o1 ZINC000271838848 191359061 /nfs/dbraw/zinc/35/90/61/191359061.db2.gz GAKMHMWQKIUBNC-SWLSCSKDSA-N 2 0 260.381 2.755 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2Br)CC1 ZINC000271821140 191349041 /nfs/dbraw/zinc/34/90/41/191349041.db2.gz MXKKYPFGZQAYBS-UHFFFAOYSA-N 2 0 295.224 2.801 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C ZINC000290599474 540124954 /nfs/dbraw/zinc/12/49/54/540124954.db2.gz VWJWSSZUHVZRBV-IAGOWNOFSA-N 2 0 288.435 2.920 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042312 355260792 /nfs/dbraw/zinc/26/07/92/355260792.db2.gz IJAPJICUTDJRHW-GJZGRUSLSA-N 2 0 291.439 2.635 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271889165 191391962 /nfs/dbraw/zinc/39/19/62/191391962.db2.gz RNCDXCVEYHROMI-QGZVFWFLSA-N 2 0 258.409 2.859 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000271898356 191396236 /nfs/dbraw/zinc/39/62/36/191396236.db2.gz XSMZEDKYLOSVML-QGZVFWFLSA-N 2 0 294.414 2.835 20 0 CFADRP Cc1cc(N2CCC(C)([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000631445859 355439414 /nfs/dbraw/zinc/43/94/14/355439414.db2.gz PKQKRZWAMSTFBX-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP COCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187178 191567087 /nfs/dbraw/zinc/56/70/87/191567087.db2.gz JPLJOCTYVHEZMW-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631589904 355504899 /nfs/dbraw/zinc/50/48/99/355504899.db2.gz FODVGWASNZOGFX-IAGOWNOFSA-N 2 0 280.456 2.797 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631666274 355537920 /nfs/dbraw/zinc/53/79/20/355537920.db2.gz DPKNZKLHYWODCN-RYRKJORJSA-N 2 0 290.451 2.769 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCCC3(F)F)C2)C1 ZINC000336268417 283107215 /nfs/dbraw/zinc/10/72/15/283107215.db2.gz JKWZEWZXIOMUPH-ZIAGYGMSSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCCc2ncccc21)C1CC1 ZINC000631635971 355525147 /nfs/dbraw/zinc/52/51/47/355525147.db2.gz VWOBXTUKKDCXJQ-INIZCTEOSA-N 2 0 273.424 2.923 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3c2CCOC3)C[C@@H]1C[NH3+] ZINC000631828753 355596883 /nfs/dbraw/zinc/59/68/83/355596883.db2.gz XISVECFYPKAWAA-CPUCHLNUSA-N 2 0 288.435 2.565 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCCC2)O1 ZINC000229301939 540178609 /nfs/dbraw/zinc/17/86/09/540178609.db2.gz JMAHHYPVLJGRAU-XHSDSOJGSA-N 2 0 278.440 2.695 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000631837265 355600353 /nfs/dbraw/zinc/60/03/53/355600353.db2.gz PYXAHVUVZUPWCO-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CCOC2)C1CC[NH+](C)CC1 ZINC000631729261 355566303 /nfs/dbraw/zinc/56/63/03/355566303.db2.gz KADFPCGKIUVTSP-CQSZACIVSA-N 2 0 288.435 2.579 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888695 355614326 /nfs/dbraw/zinc/61/43/26/355614326.db2.gz YZSXNEZABTYXKK-SJLPKXTDSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887660 355614537 /nfs/dbraw/zinc/61/45/37/355614537.db2.gz PMRBCICMVWGPJQ-IAGOWNOFSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229367883 540179995 /nfs/dbraw/zinc/17/99/95/540179995.db2.gz SWOLTYJASNZKHT-GJZGRUSLSA-N 2 0 266.429 2.682 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000229367264 540180228 /nfs/dbraw/zinc/18/02/28/540180228.db2.gz XSOFAUWGDPZQDB-IAGOWNOFSA-N 2 0 292.467 2.942 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCC(C)(C)COC)CC1 ZINC000348327167 540208854 /nfs/dbraw/zinc/20/88/54/540208854.db2.gz NDMXZLORXQXXEB-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H]2CCC[C@H]21 ZINC000453318400 283136880 /nfs/dbraw/zinc/13/68/80/283136880.db2.gz LQHPXBKJEVOGLL-XDQVBPFNSA-N 2 0 272.383 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000340475080 283135499 /nfs/dbraw/zinc/13/54/99/283135499.db2.gz KGMVYLWCVWYQPX-SQNIBIBYSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000453313546 540227526 /nfs/dbraw/zinc/22/75/26/540227526.db2.gz HXXGGRNYCXQBHI-PVAVHDDUSA-N 2 0 290.451 2.961 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247978282 540241829 /nfs/dbraw/zinc/24/18/29/540241829.db2.gz IASGIJAFNOBNDQ-YOEHRIQHSA-N 2 0 260.425 2.864 20 0 CFADRP c1cnc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000334267590 540243238 /nfs/dbraw/zinc/24/32/38/540243238.db2.gz NXSABDGSOYEDPK-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP c1cnc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2c1 ZINC000334267591 540243283 /nfs/dbraw/zinc/24/32/83/540243283.db2.gz NXSABDGSOYEDPK-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2s1 ZINC000334849671 540253815 /nfs/dbraw/zinc/25/38/15/540253815.db2.gz YEZHZKSRHQIFIQ-QWHCGFSZSA-N 2 0 275.421 2.964 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc2cccnc12 ZINC000334847457 540253876 /nfs/dbraw/zinc/25/38/76/540253876.db2.gz MSQHEHJLHPJZQN-JKSUJKDBSA-N 2 0 269.392 2.903 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000567871198 290501559 /nfs/dbraw/zinc/50/15/59/290501559.db2.gz YWIDGEVMJMZASD-MNOVXSKESA-N 2 0 270.804 2.954 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000435876104 283225411 /nfs/dbraw/zinc/22/54/11/283225411.db2.gz HFBCWZYOWZTKOP-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)C1 ZINC000568247454 290539825 /nfs/dbraw/zinc/53/98/25/290539825.db2.gz MVAOYTVIJBVYGB-CHWSQXEVSA-N 2 0 280.362 2.856 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C ZINC000339072901 540281845 /nfs/dbraw/zinc/28/18/45/540281845.db2.gz YYDBZDUGPQFYQZ-IRXDYDNUSA-N 2 0 288.435 2.763 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067515 540282573 /nfs/dbraw/zinc/28/25/73/540282573.db2.gz AJWAQUAFZNAPEC-BPQIPLTHSA-N 2 0 299.462 2.654 20 0 CFADRP Fc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339065452 540283071 /nfs/dbraw/zinc/28/30/71/540283071.db2.gz CGBNFKFEACAYBV-SJORKVTESA-N 2 0 276.399 2.975 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339066728 540283199 /nfs/dbraw/zinc/28/31/99/540283199.db2.gz DVSCPMYEGJIQEM-BBWFWOEESA-N 2 0 288.435 2.979 20 0 CFADRP C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075635 540283222 /nfs/dbraw/zinc/28/32/22/540283222.db2.gz QZYMDVQSZOWYBA-MSOLQXFVSA-N 3 0 293.499 2.859 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000233757446 540300042 /nfs/dbraw/zinc/30/00/42/540300042.db2.gz AOLYMIDVPSJAKA-SJORKVTESA-N 2 0 288.435 2.626 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089142309 540308880 /nfs/dbraw/zinc/30/88/80/540308880.db2.gz DFSFCPXXDDPUGN-YRGRVCCFSA-N 2 0 252.427 2.786 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2scnc2C2CC2)C1 ZINC000459725145 540317665 /nfs/dbraw/zinc/31/76/65/540317665.db2.gz BAWHKGOBEKIRIY-GFCCVEGCSA-N 2 0 279.453 2.842 20 0 CFADRP CC(C)CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192721768 540319079 /nfs/dbraw/zinc/31/90/79/540319079.db2.gz FKIXWVNSPGMAAC-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP O[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000294453135 199044979 /nfs/dbraw/zinc/04/49/79/199044979.db2.gz VSFGBIGEBXCKTL-PMPSAXMXSA-N 2 0 294.826 2.590 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000681058689 540322479 /nfs/dbraw/zinc/32/24/79/540322479.db2.gz VECYGLMOLDQLHU-XKQJLSEDSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000228679973 540354731 /nfs/dbraw/zinc/35/47/31/540354731.db2.gz DWCGIJHLUNOAQC-HNNXBMFYSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000294653910 199124919 /nfs/dbraw/zinc/12/49/19/199124919.db2.gz CDUNEGCRFFHQPH-HOCLYGCPSA-N 2 0 278.465 2.850 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000294697114 199139645 /nfs/dbraw/zinc/13/96/45/199139645.db2.gz CSWZPLZYVCDKFH-GJZGRUSLSA-N 2 0 273.424 2.576 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccncn1 ZINC000453067231 299288907 /nfs/dbraw/zinc/28/89/07/299288907.db2.gz XJUQKXMGJPOMLT-GJZGRUSLSA-N 2 0 276.428 2.782 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000335601258 283427464 /nfs/dbraw/zinc/42/74/64/283427464.db2.gz JNOLXRCODKNIPC-INORYPFCSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423329917 283431221 /nfs/dbraw/zinc/43/12/21/283431221.db2.gz OWZJCPWORYADEU-LBPRGKRZSA-N 2 0 287.329 2.806 20 0 CFADRP COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1F ZINC000669684883 540483176 /nfs/dbraw/zinc/48/31/76/540483176.db2.gz VXWFGRMHRQHRHC-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000152376843 540468983 /nfs/dbraw/zinc/46/89/83/540468983.db2.gz OSIJLBMSSUFOGX-YESZJQIVSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1COc2ccccc21 ZINC000185603989 299291711 /nfs/dbraw/zinc/29/17/11/299291711.db2.gz DUQPKDZYPOVSQT-HOCLYGCPSA-N 2 0 274.408 2.627 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2scnc2C2CC2)C[C@@H]1C[NH3+] ZINC000422564424 237106084 /nfs/dbraw/zinc/10/60/84/237106084.db2.gz VZRBOGHUPFDASU-MDZLAQPJSA-N 2 0 279.453 2.826 20 0 CFADRP C[C@H]([NH2+]CCCCN(C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422739755 237152031 /nfs/dbraw/zinc/15/20/31/237152031.db2.gz MDBPROUZDLRSEA-DOTOQJQBSA-N 2 0 275.440 2.633 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)C1C[NH2+]C1 ZINC000422736713 237152489 /nfs/dbraw/zinc/15/24/89/237152489.db2.gz WHQAUSZCBJJTHE-SECBINFHSA-N 2 0 273.207 2.733 20 0 CFADRP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422740172 237153851 /nfs/dbraw/zinc/15/38/51/237153851.db2.gz AXJKXLUYVBINAC-JKSUJKDBSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422741958 237155344 /nfs/dbraw/zinc/15/53/44/237155344.db2.gz QLUOAKNYRBXOBT-KGLIPLIRSA-N 2 0 290.451 2.949 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422742299 237155995 /nfs/dbraw/zinc/15/59/95/237155995.db2.gz RGGAMHBFHFFNFN-FZKQIMNGSA-N 2 0 299.418 2.887 20 0 CFADRP C[C@H]([NH2+]CCCOCCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422711411 237128770 /nfs/dbraw/zinc/12/87/70/237128770.db2.gz NBAVGKWOTTZZLA-WMZOPIPTSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Br)s1 ZINC000422717066 237130908 /nfs/dbraw/zinc/13/09/08/237130908.db2.gz OCSRFHUIQMFTHR-IUCAKERBSA-N 2 0 291.258 2.769 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422712995 237131136 /nfs/dbraw/zinc/13/11/36/237131136.db2.gz JHAXXOMFBZWOLS-HOCLYGCPSA-N 2 0 293.430 2.630 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)C1CC[NH+](C)CC1 ZINC000152691021 540510272 /nfs/dbraw/zinc/51/02/72/540510272.db2.gz RNBPCYZCWQTWLB-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(Br)s1 ZINC000422717065 237131559 /nfs/dbraw/zinc/13/15/59/237131559.db2.gz OCSRFHUIQMFTHR-DTWKUNHWSA-N 2 0 291.258 2.769 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422717632 237134287 /nfs/dbraw/zinc/13/42/87/237134287.db2.gz VVJINKGHQSSUSU-ZVZYQTTQSA-N 2 0 272.436 2.985 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422718394 237136323 /nfs/dbraw/zinc/13/63/23/237136323.db2.gz XCVOPVJBJLMHON-WCVJEAGWSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722689 237137809 /nfs/dbraw/zinc/13/78/09/237137809.db2.gz YNMQUWBMKDCOQP-DLBZAZTESA-N 3 0 281.488 2.750 20 0 CFADRP c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)cc1 ZINC000422726982 237141413 /nfs/dbraw/zinc/14/14/13/237141413.db2.gz BBNONUQRAHLZPF-ZZJWQFMZSA-N 2 0 299.462 2.696 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422727429 237143035 /nfs/dbraw/zinc/14/30/35/237143035.db2.gz CIJHMEGFZPHRBM-QWRGUYRKSA-N 2 0 290.329 2.843 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422766882 237181961 /nfs/dbraw/zinc/18/19/61/237181961.db2.gz RLAVCOWUYBPHMP-SLEUVZQESA-N 2 0 283.847 2.658 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422766736 237182036 /nfs/dbraw/zinc/18/20/36/237182036.db2.gz RHPCPJKKGFVYSY-KURKYZTESA-N 2 0 287.451 2.511 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422768478 237184811 /nfs/dbraw/zinc/18/48/11/237184811.db2.gz NXOFUKVVWCDUFL-STQMWFEESA-N 2 0 252.427 2.803 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422772533 237187836 /nfs/dbraw/zinc/18/78/36/237187836.db2.gz ZGRILGUIIHBWTH-HOCLYGCPSA-N 2 0 293.430 2.820 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422773723 237190712 /nfs/dbraw/zinc/19/07/12/237190712.db2.gz UTBYUMQRMBPHOB-YJBOKZPZSA-N 2 0 298.434 2.706 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422775871 237190819 /nfs/dbraw/zinc/19/08/19/237190819.db2.gz BPBLSICIGVQHAL-ZFWWWQNUSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000422748957 237161854 /nfs/dbraw/zinc/16/18/54/237161854.db2.gz WVPPPGAWHBADOR-YJBOKZPZSA-N 2 0 268.404 2.777 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422746565 237162881 /nfs/dbraw/zinc/16/28/81/237162881.db2.gz ZVGNKGLGIAUQSK-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422750145 237162890 /nfs/dbraw/zinc/16/28/90/237162890.db2.gz ACMUWUSCYMCUQV-CABCVRRESA-N 2 0 257.381 2.501 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422751297 237164409 /nfs/dbraw/zinc/16/44/09/237164409.db2.gz BEZQFRDXVCYYOC-YCPHGPKFSA-N 2 0 293.430 2.818 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422773490 237191732 /nfs/dbraw/zinc/19/17/32/237191732.db2.gz UEZQAWXEOFJKDV-ZIAGYGMSSA-N 2 0 250.411 2.557 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000422794651 237218847 /nfs/dbraw/zinc/21/88/47/237218847.db2.gz ZCAJBJCZCZEEKY-JKJDWNRSSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422796012 237219664 /nfs/dbraw/zinc/21/96/64/237219664.db2.gz XINHUKAAFRGDPQ-INMHGKMJSA-N 2 0 276.424 2.869 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](CCO)CC(C)C ZINC000422803173 237228369 /nfs/dbraw/zinc/22/83/69/237228369.db2.gz FRKNJEPOAMAGQL-UKRRQHHQSA-N 2 0 293.455 2.544 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](CCO)CC(C)C ZINC000422803174 237228408 /nfs/dbraw/zinc/22/84/08/237228408.db2.gz FRKNJEPOAMAGQL-ZFWWWQNUSA-N 2 0 293.455 2.544 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422799606 237225213 /nfs/dbraw/zinc/22/52/13/237225213.db2.gz XQOURUWHXSAOLQ-BKQLOGFTSA-N 2 0 280.362 2.941 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422801551 237225352 /nfs/dbraw/zinc/22/53/52/237225352.db2.gz FWIVEMJVLAKDPL-PMRDEQMMSA-N 2 0 270.420 2.979 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422781156 237197687 /nfs/dbraw/zinc/19/76/87/237197687.db2.gz DTZWCJYGVATGCC-JKSUJKDBSA-N 3 0 289.467 2.888 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCOc1ccccc1 ZINC000422780729 237198628 /nfs/dbraw/zinc/19/86/28/237198628.db2.gz DGPYSERZQOCDSM-AWEZNQCLSA-N 2 0 299.418 2.968 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422785562 237206229 /nfs/dbraw/zinc/20/62/29/237206229.db2.gz PKWGAIATAGPEKD-RDJZCZTQSA-N 2 0 277.456 2.705 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422783962 237206296 /nfs/dbraw/zinc/20/62/96/237206296.db2.gz LQCZNLQIBBMJOS-GJZGRUSLSA-N 2 0 287.432 2.822 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000422785706 237206399 /nfs/dbraw/zinc/20/63/99/237206399.db2.gz NYGIBLQWJYABSN-LBPRGKRZSA-N 2 0 287.382 2.881 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000422804660 237227962 /nfs/dbraw/zinc/22/79/62/237227962.db2.gz IAXDPIKVNMHRPQ-UHFFFAOYSA-N 2 0 254.324 2.572 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422786169 237209748 /nfs/dbraw/zinc/20/97/48/237209748.db2.gz SHELUPZCNPHTCD-FRFSOERESA-N 2 0 276.424 2.906 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422789387 237212081 /nfs/dbraw/zinc/21/20/81/237212081.db2.gz WOASEWULXSWINL-SQPSOYEMSA-N 2 0 260.381 2.629 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])Oc1cccc(F)c1 ZINC000422791104 237212157 /nfs/dbraw/zinc/21/21/57/237212157.db2.gz PXHPMYZYWIKQDC-DAXOMENPSA-N 2 0 280.387 2.843 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422793153 237213893 /nfs/dbraw/zinc/21/38/93/237213893.db2.gz RUBAPWHUNIVIJP-BMFZPTHFSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422792924 237215467 /nfs/dbraw/zinc/21/54/67/237215467.db2.gz DYCPWJLGRRFFJI-UWVGGRQHSA-N 2 0 260.303 2.921 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422815008 237242538 /nfs/dbraw/zinc/24/25/38/237242538.db2.gz ALZGAOBEJMNJED-QZTJIDSGSA-N 2 0 298.434 2.664 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252415165 540562596 /nfs/dbraw/zinc/56/25/96/540562596.db2.gz KMEWAVXIBYTWNZ-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000422827356 237255405 /nfs/dbraw/zinc/25/54/05/237255405.db2.gz MXPJSHPJJPUZEY-BONVTDFDSA-N 2 0 296.361 2.863 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831067 237256612 /nfs/dbraw/zinc/25/66/12/237256612.db2.gz SJEFTULOQKZLJK-UONOGXRCSA-N 3 0 295.496 2.676 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)C[C@H]21 ZINC000252836013 540568444 /nfs/dbraw/zinc/56/84/44/540568444.db2.gz WEOPBDQZSAAOAY-MUIFIZLQSA-N 2 0 286.419 2.612 20 0 CFADRP c1cc2cc(C[NH2+]CC[C@H]3CCC[NH2+]C3)ccc2cn1 ZINC000666793764 540579992 /nfs/dbraw/zinc/57/99/92/540579992.db2.gz ALTIRMQXHOMFPM-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000422837586 237262527 /nfs/dbraw/zinc/26/25/27/237262527.db2.gz MHNNJCDYXKBNGK-GJZGRUSLSA-N 2 0 264.413 2.699 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)ccc1OC(C)C ZINC000422814462 237239233 /nfs/dbraw/zinc/23/92/33/237239233.db2.gz UWSXYYDBSDEQQG-QWHCGFSZSA-N 2 0 292.423 2.741 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000422814515 237240562 /nfs/dbraw/zinc/24/05/62/237240562.db2.gz VGBJSURZBOMGGP-KLHDSHLOSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])co2)cc1 ZINC000422878205 237299724 /nfs/dbraw/zinc/29/97/24/237299724.db2.gz JLQJHZNRUXOWEY-DOTOQJQBSA-N 2 0 299.418 2.910 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000669850390 540592715 /nfs/dbraw/zinc/59/27/15/540592715.db2.gz QZLBZINCXHTRFK-QWRGUYRKSA-N 2 0 264.335 2.791 20 0 CFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)n1 ZINC000422861146 237281736 /nfs/dbraw/zinc/28/17/36/237281736.db2.gz MHPNRDBTFGTAJK-MSOLQXFVSA-N 2 0 298.434 2.501 20 0 CFADRP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422864566 237286009 /nfs/dbraw/zinc/28/60/09/237286009.db2.gz VIKWAQDEXLPDOL-WDEREUQCSA-N 2 0 297.830 2.692 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422865194 237286181 /nfs/dbraw/zinc/28/61/81/237286181.db2.gz OKFWIPMLVLFBQO-UONOGXRCSA-N 2 0 286.423 2.959 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950764 540596050 /nfs/dbraw/zinc/59/60/50/540596050.db2.gz FFCOHLJVOMSQHQ-ZDUSSCGKSA-N 2 0 284.325 2.937 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000666952275 540596058 /nfs/dbraw/zinc/59/60/58/540596058.db2.gz NSSSISWAKJXPRW-CQSZACIVSA-N 2 0 264.800 2.880 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666953544 540596631 /nfs/dbraw/zinc/59/66/31/540596631.db2.gz AZIGECPUYQKKMM-ZBFHGGJFSA-N 2 0 258.409 2.912 20 0 CFADRP FC(F)Oc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952422 540596702 /nfs/dbraw/zinc/59/67/02/540596702.db2.gz VWMIKCMYYBWQOJ-ZDUSSCGKSA-N 2 0 282.334 2.520 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N(C)c1ccccc1 ZINC000422871120 237292025 /nfs/dbraw/zinc/29/20/25/237292025.db2.gz ZVCTWUFOZUBNEQ-HYVNUMGLSA-N 2 0 275.440 2.761 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422873452 237293632 /nfs/dbraw/zinc/29/36/32/237293632.db2.gz AJOUIPFIGSBTLJ-IAGOWNOFSA-N 2 0 284.407 2.622 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@@H]3CCC[C@@H]3[NH3+])co2)cc1 ZINC000422875037 237295931 /nfs/dbraw/zinc/29/59/31/237295931.db2.gz BJIOZYRGKXDVPL-JKSUJKDBSA-N 2 0 285.391 2.662 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000666853901 540587387 /nfs/dbraw/zinc/58/73/87/540587387.db2.gz JDMVUASYMJPCFM-HOTGVXAUSA-N 2 0 255.365 2.594 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858141 540588095 /nfs/dbraw/zinc/58/80/95/540588095.db2.gz ZOFVTBBTQRAGKF-IRXDYDNUSA-N 2 0 294.414 2.505 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000422894503 237316882 /nfs/dbraw/zinc/31/68/82/237316882.db2.gz UAAGTLUPPPTEFR-BRWVUGGUSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422898316 237318978 /nfs/dbraw/zinc/31/89/78/237318978.db2.gz LVSGNPHYKSWMCC-BBRMVZONSA-N 2 0 276.399 2.835 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000422897830 237320668 /nfs/dbraw/zinc/32/06/68/237320668.db2.gz CZHBHUAPUOFFCJ-NILFDRSVSA-N 2 0 290.432 2.743 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422905887 237329002 /nfs/dbraw/zinc/32/90/02/237329002.db2.gz ZRWDEAZHOPOONO-GJZGRUSLSA-N 2 0 264.413 2.788 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422909452 237332957 /nfs/dbraw/zinc/33/29/57/237332957.db2.gz FZIATMXEFRYOGK-IRXDYDNUSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422911351 237335944 /nfs/dbraw/zinc/33/59/44/237335944.db2.gz KMTAILVLEASVEF-IAOVAPTHSA-N 2 0 258.409 2.738 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422920006 237351280 /nfs/dbraw/zinc/35/12/80/237351280.db2.gz LLYQKDYWKQLYOJ-SWHYSGLUSA-N 2 0 268.788 2.577 20 0 CFADRP Cc1cccc(NCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000422919349 237351650 /nfs/dbraw/zinc/35/16/50/237351650.db2.gz JQCGGSGOTUPIAV-HZPDHXFCSA-N 2 0 290.455 2.702 20 0 CFADRP COC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000422921233 237352082 /nfs/dbraw/zinc/35/20/82/237352082.db2.gz PFMAVJOWJPWZKB-VDSRIPIWSA-N 2 0 280.387 2.620 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000422925551 237357754 /nfs/dbraw/zinc/35/77/54/237357754.db2.gz AZZWTFDRWDCKBS-GZBFAFLISA-N 2 0 292.423 2.743 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422943978 237374128 /nfs/dbraw/zinc/37/41/28/237374128.db2.gz LTVWSSBYKODTNP-DLBZAZTESA-N 2 0 276.424 2.932 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc2ccccc2c1 ZINC000422935920 237360855 /nfs/dbraw/zinc/36/08/55/237360855.db2.gz BBBSZDNJWCBMBH-GOSISDBHSA-N 2 0 286.419 2.726 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)c2ccccc21 ZINC000422946439 237374399 /nfs/dbraw/zinc/37/43/99/237374399.db2.gz OOKIFQGIBTUZAB-DLBZAZTESA-N 2 0 286.350 2.939 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422940076 237372740 /nfs/dbraw/zinc/37/27/40/237372740.db2.gz INUBMRFMWPOFLA-HZPDHXFCSA-N 2 0 276.424 2.789 20 0 CFADRP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422915389 237341072 /nfs/dbraw/zinc/34/10/72/237341072.db2.gz XYGKALSTAHYOIJ-STQMWFEESA-N 2 0 274.412 2.834 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000422914266 237342286 /nfs/dbraw/zinc/34/22/86/237342286.db2.gz SNLKGYUQALNXQS-UHFFFAOYSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422917025 237346774 /nfs/dbraw/zinc/34/67/74/237346774.db2.gz FHIHEBLTMPXCJK-YVSFHVDLSA-N 2 0 258.409 2.867 20 0 CFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422967093 237398674 /nfs/dbraw/zinc/39/86/74/237398674.db2.gz SHPXBKUEUBQDHZ-ZWKOTPCHSA-N 2 0 298.434 2.583 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422946010 237375411 /nfs/dbraw/zinc/37/54/11/237375411.db2.gz OFZVHDRMZFBDQI-UONOGXRCSA-N 2 0 252.789 2.742 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422949989 237376092 /nfs/dbraw/zinc/37/60/92/237376092.db2.gz WWQCXSJIQACYAF-JVPBZIDWSA-N 2 0 298.430 2.724 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422948214 237376404 /nfs/dbraw/zinc/37/64/04/237376404.db2.gz QXXKIVPEOKMPST-GJZGRUSLSA-N 2 0 262.397 2.623 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422947485 237378801 /nfs/dbraw/zinc/37/88/01/237378801.db2.gz QGLOYCNBGKXYCW-NVXWUHKLSA-N 2 0 276.424 2.660 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422956605 237385621 /nfs/dbraw/zinc/38/56/21/237385621.db2.gz LPLUPDQWWFRFFE-GHMZBOCLSA-N 2 0 285.229 2.973 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000422957416 237386348 /nfs/dbraw/zinc/38/63/48/237386348.db2.gz TZUQJWKHIBNYEZ-JKSUJKDBSA-N 2 0 299.418 2.721 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422954217 237388481 /nfs/dbraw/zinc/38/84/81/237388481.db2.gz HIGUWYLWHCZWPB-GHMZBOCLSA-N 2 0 290.329 2.800 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCc2ccc(CO)c(F)c2)c2ccccc21 ZINC000422965410 237394415 /nfs/dbraw/zinc/39/44/15/237394415.db2.gz OMYUTMQJHJMLAO-DLBZAZTESA-N 2 0 286.350 2.552 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000423006849 237432854 /nfs/dbraw/zinc/43/28/54/237432854.db2.gz PECRRKSRTFMOPL-YESZJQIVSA-N 2 0 294.483 2.830 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000297505303 200213344 /nfs/dbraw/zinc/21/33/44/200213344.db2.gz LUIWKCLHXFJOLC-JKSUJKDBSA-N 2 0 285.391 2.772 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000423070090 237507206 /nfs/dbraw/zinc/50/72/06/237507206.db2.gz MPIVLYRARUCTIT-DGCLKSJQSA-N 2 0 294.370 2.976 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1COc2ccccc21 ZINC000420402692 299300620 /nfs/dbraw/zinc/30/06/20/299300620.db2.gz KFSGJVUEURSVKF-DZKIICNBSA-N 2 0 274.408 2.530 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000380944229 540692252 /nfs/dbraw/zinc/69/22/52/540692252.db2.gz BZMPTPHLJXVKAU-GOEBONIOSA-N 2 0 276.424 2.700 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000435879224 240362942 /nfs/dbraw/zinc/36/29/42/240362942.db2.gz BMDSGOQLFULWEI-MRXNPFEDSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000177305812 189043401 /nfs/dbraw/zinc/04/34/01/189043401.db2.gz GTOQRLQUOMYZDH-AWEZNQCLSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000177291157 189042155 /nfs/dbraw/zinc/04/21/55/189042155.db2.gz OGXUZEYTRFIHLS-DOTOQJQBSA-N 2 0 272.436 2.939 20 0 CFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCC1 ZINC000453095917 283559660 /nfs/dbraw/zinc/55/96/60/283559660.db2.gz VFTNCWZWEOFWMH-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000178420064 189114987 /nfs/dbraw/zinc/11/49/87/189114987.db2.gz NLGGMWQEVGFEGP-ZOBUZTSGSA-N 2 0 290.451 2.864 20 0 CFADRP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000384139797 540778932 /nfs/dbraw/zinc/77/89/32/540778932.db2.gz YKBXTVDXKLDRBG-DYVFJYSZSA-N 2 0 258.409 2.953 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411631926 540786666 /nfs/dbraw/zinc/78/66/66/540786666.db2.gz CTUOKWUKZSTULZ-GVDBMIGSSA-N 2 0 258.409 2.959 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089798 296020737 /nfs/dbraw/zinc/02/07/37/296020737.db2.gz WATAFIRUAIGOIW-HFAKWTLXSA-N 2 0 250.361 2.919 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000435879884 240364529 /nfs/dbraw/zinc/36/45/29/240364529.db2.gz GBVGRSQVXNYYKV-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178975550 189158984 /nfs/dbraw/zinc/15/89/84/189158984.db2.gz PGKVUFXLSXKPKA-RHSMWYFYSA-N 2 0 258.409 2.864 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178956861 189157200 /nfs/dbraw/zinc/15/72/00/189157200.db2.gz MQYSTTZTCOCOLL-QGZVFWFLSA-N 2 0 258.409 2.693 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000423094671 238197786 /nfs/dbraw/zinc/19/77/86/238197786.db2.gz COWNIGIXBDBGMR-FTAMUGHTSA-N 2 0 288.435 2.583 20 0 CFADRP Fc1ccccc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423098280 238199333 /nfs/dbraw/zinc/19/93/33/238199333.db2.gz RYHKEWZBXGYQFO-YIONKMFJSA-N 2 0 262.372 2.631 20 0 CFADRP c1nn2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423097021 238200308 /nfs/dbraw/zinc/20/03/08/238200308.db2.gz AAUAFTBIBFONNI-GVDBMIGSSA-N 2 0 298.434 2.735 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000179137849 189172815 /nfs/dbraw/zinc/17/28/15/189172815.db2.gz HVSDRBQTMRFERL-OCCSQVGLSA-N 2 0 299.846 2.742 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc2[nH]1 ZINC000423121417 238213415 /nfs/dbraw/zinc/21/34/15/238213415.db2.gz IRTMQFRYRNFPQG-BRWVUGGUSA-N 2 0 298.434 2.963 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414922019 540830861 /nfs/dbraw/zinc/83/08/61/540830861.db2.gz GAKSHHJISAKAGS-JKSUJKDBSA-N 2 0 284.407 2.745 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414925197 540831190 /nfs/dbraw/zinc/83/11/90/540831190.db2.gz LLPWNIQZHYJGRR-HUUCEWRRSA-N 2 0 292.423 2.844 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000423129642 238219557 /nfs/dbraw/zinc/21/95/57/238219557.db2.gz XKBUJCUGKZTEOH-FZMZJTMJSA-N 2 0 270.804 2.745 20 0 CFADRP CC(C)CCOc1ccccc1C[NH2+]CCC[NH3+] ZINC000415089132 540833726 /nfs/dbraw/zinc/83/37/26/540833726.db2.gz MUWKKJLVXZWYKF-UHFFFAOYSA-N 2 0 250.386 2.550 20 0 CFADRP [NH3+]CCC[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000415084966 540834050 /nfs/dbraw/zinc/83/40/50/540834050.db2.gz SAHNLVIEZRPQLB-UHFFFAOYSA-N 2 0 284.403 2.842 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423118194 238209838 /nfs/dbraw/zinc/20/98/38/238209838.db2.gz ZGBHIIDYEVVRSI-VXGBXAGGSA-N 2 0 277.387 2.955 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423119116 238211506 /nfs/dbraw/zinc/21/15/06/238211506.db2.gz DGXIABSLQZXAME-HEHGZKQESA-N 2 0 296.842 2.523 20 0 CFADRP FC1(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000684373959 540838181 /nfs/dbraw/zinc/83/81/81/540838181.db2.gz YWPHFLVIUFGIHD-UHFFFAOYSA-N 2 0 276.399 2.990 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000423144070 238230609 /nfs/dbraw/zinc/23/06/09/238230609.db2.gz YISKIMXPKZGLDG-KGLIPLIRSA-N 2 0 252.789 2.660 20 0 CFADRP Fc1cc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000423146300 238232692 /nfs/dbraw/zinc/23/26/92/238232692.db2.gz AABDVJVGYQLPLA-FOSCPWQOSA-N 2 0 298.789 2.731 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(C)(C)C ZINC000670265680 540846882 /nfs/dbraw/zinc/84/68/82/540846882.db2.gz RQXHMLKSGVVLPQ-KLHDSHLOSA-N 2 0 282.472 2.852 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000423149010 238236415 /nfs/dbraw/zinc/23/64/15/238236415.db2.gz HDQGLJQUQWVBST-JQWIXIFHSA-N 2 0 283.366 2.935 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423148624 238237735 /nfs/dbraw/zinc/23/77/35/238237735.db2.gz WEBJEISIBVQNCF-WDEREUQCSA-N 2 0 250.361 2.919 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670266975 540847907 /nfs/dbraw/zinc/84/79/07/540847907.db2.gz LCRWFFTZTYBUJF-HOTGVXAUSA-N 2 0 283.504 2.532 20 0 CFADRP C[C@@H](c1nc(C2([NH3+])CCCC2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000435910499 240367822 /nfs/dbraw/zinc/36/78/22/240367822.db2.gz XBDNTAQWQNWUCJ-DGCLKSJQSA-N 2 0 286.379 2.601 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423134430 238221928 /nfs/dbraw/zinc/22/19/28/238221928.db2.gz RVSSITMVSBKPNT-CZUORRHYSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423132150 238222758 /nfs/dbraw/zinc/22/27/58/238222758.db2.gz OSCAXARMMBNXTN-JQFCIGGWSA-N 2 0 258.409 2.910 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000423132629 238223096 /nfs/dbraw/zinc/22/30/96/238223096.db2.gz JOLVAYLNTNQXHG-PZJKJEQHSA-N 2 0 258.409 2.897 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173470 238252529 /nfs/dbraw/zinc/25/25/29/238252529.db2.gz YVZJVKSLWLKJPS-DDUYRFODSA-N 2 0 262.372 2.789 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423158609 238242039 /nfs/dbraw/zinc/24/20/39/238242039.db2.gz OIRQNXVAAILJSL-NEPJUHHUSA-N 2 0 287.329 2.708 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423159540 238243748 /nfs/dbraw/zinc/24/37/48/238243748.db2.gz YGKNLGWOXSLFSO-CYBMUJFWSA-N 2 0 252.377 2.784 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1CC(C)C ZINC000423169028 238248193 /nfs/dbraw/zinc/24/81/93/238248193.db2.gz IOWRQXQBDNPKOM-XJKCOSOUSA-N 2 0 261.413 2.934 20 0 CFADRP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423166973 238249843 /nfs/dbraw/zinc/24/98/43/238249843.db2.gz ROIBIFHBJOVVPG-MJBXVCDLSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423203355 238275917 /nfs/dbraw/zinc/27/59/17/238275917.db2.gz CHZHLXUQAUFIEI-KBPBESRZSA-N 2 0 258.409 2.826 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423208531 238278846 /nfs/dbraw/zinc/27/88/46/238278846.db2.gz YXUGBWGQUNPGJN-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])oc21 ZINC000423226231 238288820 /nfs/dbraw/zinc/28/88/20/238288820.db2.gz PVOWDTIDKKMSCV-QWRGUYRKSA-N 2 0 262.353 2.829 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1nc2c(s1)CCCC2 ZINC000423244966 238304477 /nfs/dbraw/zinc/30/44/77/238304477.db2.gz IEGRBEPYVQTUFA-RYUDHWBXSA-N 2 0 279.453 2.672 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423245016 238305077 /nfs/dbraw/zinc/30/50/77/238305077.db2.gz IJNAKOCGOVRSEQ-HOCLYGCPSA-N 2 0 298.434 2.831 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423247332 238306769 /nfs/dbraw/zinc/30/67/69/238306769.db2.gz LESHAQXOMLYEFP-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000423254905 238312501 /nfs/dbraw/zinc/31/25/01/238312501.db2.gz ZWMCOWAGLOAOQM-KBXCAEBGSA-N 2 0 299.393 2.899 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353439402 540910725 /nfs/dbraw/zinc/91/07/25/540910725.db2.gz XBOJARQFMHEOHA-STQMWFEESA-N 2 0 252.406 2.571 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ncc[nH]1 ZINC000353459784 540911199 /nfs/dbraw/zinc/91/11/99/540911199.db2.gz IWNCZUYLWUTSPJ-CQSZACIVSA-N 2 0 264.417 2.572 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423257612 238313960 /nfs/dbraw/zinc/31/39/60/238313960.db2.gz KIHBIUZVVSYUQH-YOEHRIQHSA-N 2 0 290.476 2.996 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263640 238319564 /nfs/dbraw/zinc/31/95/64/238319564.db2.gz BFUAPGGVRUOQIZ-YYQUZTFQSA-N 2 0 276.424 2.760 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1N(C)C ZINC000423283016 238343893 /nfs/dbraw/zinc/34/38/93/238343893.db2.gz VQMJPPDHMYIOKO-LZWOXQAQSA-N 2 0 275.440 2.921 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423308896 238364177 /nfs/dbraw/zinc/36/41/77/238364177.db2.gz PDPNQZDXVJXBIF-BDAKNGLRSA-N 2 0 289.192 2.834 20 0 CFADRP COC[C@@H]([NH2+]C[C@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423294090 238350749 /nfs/dbraw/zinc/35/07/49/238350749.db2.gz BGGIWBALSLECRY-ZWNOBZJWSA-N 2 0 290.329 2.577 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423296481 238353470 /nfs/dbraw/zinc/35/34/70/238353470.db2.gz HADHNQZMRDOUQF-NOZJJQNGSA-N 2 0 288.313 2.757 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000423298278 238356832 /nfs/dbraw/zinc/35/68/32/238356832.db2.gz NXDQMNRERXXRPN-BDAKNGLRSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423299455 238356969 /nfs/dbraw/zinc/35/69/69/238356969.db2.gz BSWGHQPARLOHLC-VIFPVBQESA-N 2 0 258.287 2.575 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423303075 238358524 /nfs/dbraw/zinc/35/85/24/238358524.db2.gz WMNNLSPUISEYHS-QWRGUYRKSA-N 2 0 290.436 2.759 20 0 CFADRP Cc1cc([C@@H]([NH2+]CCCC[NH3+])c2cccnc2)ccc1F ZINC000423329303 238380772 /nfs/dbraw/zinc/38/07/72/238380772.db2.gz OSJYLESPCZJRQN-QGZVFWFLSA-N 2 0 287.382 2.947 20 0 CFADRP Clc1cccc([C@H]2CC[C@H]([NH2+]CC3C[NH2+]C3)C2)c1 ZINC000423331758 238383024 /nfs/dbraw/zinc/38/30/24/238383024.db2.gz UVAYVCGDECEGSH-ZFWWWQNUSA-N 2 0 264.800 2.785 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(F)c1 ZINC000423331496 238384043 /nfs/dbraw/zinc/38/40/43/238384043.db2.gz OMWCFKJSJPWMBT-LBPRGKRZSA-N 2 0 250.361 2.866 20 0 CFADRP [NH3+][C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)C1CC1 ZINC000423333783 238385385 /nfs/dbraw/zinc/38/53/85/238385385.db2.gz VXLTZUMOAKLHDM-JKSUJKDBSA-N 2 0 278.827 2.988 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423333165 238386486 /nfs/dbraw/zinc/38/64/86/238386486.db2.gz VMNJCFIYURBDLJ-ABAIWWIYSA-N 2 0 258.365 2.691 20 0 CFADRP COC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423338192 238387458 /nfs/dbraw/zinc/38/74/58/238387458.db2.gz AURRKMGGLNMSTJ-OAHLLOKOSA-N 2 0 280.799 2.537 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423317109 238370119 /nfs/dbraw/zinc/37/01/19/238370119.db2.gz CFDGQRSQNMNARA-OLZOCXBDSA-N 2 0 262.397 2.658 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1nc(C(F)(F)F)cs1 ZINC000423316003 238370816 /nfs/dbraw/zinc/37/08/16/238370816.db2.gz BKGXJDHIMATMPB-ZETCQYMHSA-N 2 0 267.320 2.551 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000390781420 540983058 /nfs/dbraw/zinc/98/30/58/540983058.db2.gz REFPZBLQAOHYHS-DOTOQJQBSA-N 2 0 298.434 2.973 20 0 CFADRP C[C@H](C[NH3+])N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000423319359 238372102 /nfs/dbraw/zinc/37/21/02/238372102.db2.gz FMLJYGAXKKJVJI-PBHICJAKSA-N 2 0 254.377 2.907 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1F ZINC000423350099 238398590 /nfs/dbraw/zinc/39/85/90/238398590.db2.gz WVEVMMFWXLFGOC-WBMJQRKESA-N 2 0 280.387 2.875 20 0 CFADRP C[C@@]1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCC[NH2+]C1 ZINC000423339616 238389867 /nfs/dbraw/zinc/38/98/67/238389867.db2.gz LJUOQUJZTGHHAI-JKSUJKDBSA-N 2 0 277.387 2.651 20 0 CFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)[C@H]1CC1(C)C ZINC000666096138 540984343 /nfs/dbraw/zinc/98/43/43/540984343.db2.gz LZOIWYZSQLPSHK-CABCVRRESA-N 2 0 282.472 2.636 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[NH3+])c1 ZINC000423342118 238393523 /nfs/dbraw/zinc/39/35/23/238393523.db2.gz VBEVBRVVFSAHQX-LLVKDONJSA-N 2 0 272.339 2.986 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423346845 238396275 /nfs/dbraw/zinc/39/62/75/238396275.db2.gz QJJBGFVZLIMLPB-WBVHZDCISA-N 2 0 275.440 2.772 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCC[NH2+]C1 ZINC000423346070 238396318 /nfs/dbraw/zinc/39/63/18/238396318.db2.gz PMHPVDSFTPBEHK-HZMVEIRTSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000423347815 238396505 /nfs/dbraw/zinc/39/65/05/238396505.db2.gz RGBISKQPRYNCSZ-ZDUSSCGKSA-N 2 0 267.376 2.805 20 0 CFADRP C[C@H]([NH2+]CCCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000052092042 541011655 /nfs/dbraw/zinc/01/16/55/541011655.db2.gz PVHYTUJNLSZMFI-HNNXBMFYSA-N 2 0 276.424 2.775 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCc3ccccc32)CC[NH2+]CC1 ZINC000423400367 238437519 /nfs/dbraw/zinc/43/75/19/238437519.db2.gz VCCSDAJQDOJFKT-QGZVFWFLSA-N 2 0 288.435 2.670 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423449704 238464096 /nfs/dbraw/zinc/46/40/96/238464096.db2.gz GPZRYNAOVTUMNP-WRFANHODSA-N 2 0 276.424 2.904 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423474398 238478662 /nfs/dbraw/zinc/47/86/62/238478662.db2.gz HHCLAKQVJFKUJZ-GUYCJALGSA-N 2 0 274.408 2.900 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423476744 238481236 /nfs/dbraw/zinc/48/12/36/238481236.db2.gz RFFHRCWGZQDWNG-HYVNUMGLSA-N 2 0 275.440 2.900 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)COC2 ZINC000423541370 238522297 /nfs/dbraw/zinc/52/22/97/238522297.db2.gz KRHKHQGDVXOUOL-PZMTTYODSA-N 2 0 286.419 2.756 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2CCSCC2)CC1 ZINC000671747494 541064839 /nfs/dbraw/zinc/06/48/39/541064839.db2.gz FDBDSGFACLEYQS-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000671754277 541086515 /nfs/dbraw/zinc/08/65/15/541086515.db2.gz OUXRICNXBWCLMY-WJFTUGDTSA-N 2 0 299.462 2.636 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000666417729 541092338 /nfs/dbraw/zinc/09/23/38/541092338.db2.gz KVUZLYSBNODXFE-DZGCQCFKSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666832321 541149744 /nfs/dbraw/zinc/14/97/44/541149744.db2.gz AOUHKZMPVCLVSN-SNVBAGLBSA-N 2 0 263.772 2.715 20 0 CFADRP COCC1(C[NH2+]Cc2cscc2Cl)CC[NH2+]CC1 ZINC000666894773 541156693 /nfs/dbraw/zinc/15/66/93/541156693.db2.gz RDOQTGQFFZGBPI-UHFFFAOYSA-N 2 0 288.844 2.507 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857729 541152519 /nfs/dbraw/zinc/15/25/19/541152519.db2.gz HDYSNMNATLDFMC-ZIAGYGMSSA-N 2 0 286.423 2.616 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1C(F)(F)F ZINC000666743439 541137416 /nfs/dbraw/zinc/13/74/16/541137416.db2.gz IQLFLRFFGZRIHT-JQWIXIFHSA-N 2 0 287.329 2.708 20 0 CFADRP Clc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950975 541165237 /nfs/dbraw/zinc/16/52/37/541165237.db2.gz UWNDNNQIDYOAFN-ZDUSSCGKSA-N 2 0 250.773 2.572 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666950696 541165390 /nfs/dbraw/zinc/16/53/90/541165390.db2.gz BJGRSGOKILJKKY-CQSZACIVSA-N 2 0 280.799 2.580 20 0 CFADRP Brc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950793 541165529 /nfs/dbraw/zinc/16/55/29/541165529.db2.gz IDCLCSCDFOHLBA-CYBMUJFWSA-N 2 0 295.224 2.681 20 0 CFADRP Clc1cscc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952220 541165975 /nfs/dbraw/zinc/16/59/75/541165975.db2.gz KUWUSQYMEWIBNW-LLVKDONJSA-N 2 0 256.802 2.633 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CC(C)(C)C1 ZINC000666954265 541166523 /nfs/dbraw/zinc/16/65/23/541166523.db2.gz SUGCPMPWXJIKES-HZSPNIEDSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1ccsc1)C[NH+](C)C ZINC000425929875 239135745 /nfs/dbraw/zinc/13/57/45/239135745.db2.gz HETSZRHEZHFSKE-CHWSQXEVSA-N 2 0 254.443 2.857 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995404 541171463 /nfs/dbraw/zinc/17/14/63/541171463.db2.gz NATGVGNWTFYGLP-GHMZBOCLSA-N 2 0 264.335 2.982 20 0 CFADRP CCOc1ccccc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998091 541171960 /nfs/dbraw/zinc/17/19/60/541171960.db2.gz ALKSMFNTJGYZIB-OAHLLOKOSA-N 2 0 274.408 2.850 20 0 CFADRP Fc1cccc(F)c1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998422 541172097 /nfs/dbraw/zinc/17/20/97/541172097.db2.gz STOKKVTVAMBPPO-NSHDSACASA-N 2 0 266.335 2.729 20 0 CFADRP CN(C)c1ccccc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998527 541172172 /nfs/dbraw/zinc/17/21/72/541172172.db2.gz ZIRBCFWVTZHQTI-HNNXBMFYSA-N 2 0 273.424 2.517 20 0 CFADRP Fc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000666998442 541172355 /nfs/dbraw/zinc/17/23/55/541172355.db2.gz UPOCORPQECUXIR-LBPRGKRZSA-N 2 0 266.335 2.729 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000666901593 541158005 /nfs/dbraw/zinc/15/80/05/541158005.db2.gz ZTWOQSGFWSGZBM-INIZCTEOSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)C[NH+](C)C ZINC000425932194 239140407 /nfs/dbraw/zinc/14/04/07/239140407.db2.gz OZDKDGLMBMVQQN-RYUDHWBXSA-N 2 0 262.388 2.988 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427122487 239285225 /nfs/dbraw/zinc/28/52/25/239285225.db2.gz REYMMVBVRPOHBO-AEFFLSMTSA-N 2 0 288.435 2.920 20 0 CFADRP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000667491970 541243531 /nfs/dbraw/zinc/24/35/31/541243531.db2.gz OUEQVSGQPQSGEQ-UHFFFAOYSA-N 2 0 256.353 2.642 20 0 CFADRP CCCn1nccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000667534982 541251444 /nfs/dbraw/zinc/25/14/44/541251444.db2.gz SSOIWULTHRNBHC-UHFFFAOYSA-N 2 0 292.471 2.845 20 0 CFADRP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667651334 541278666 /nfs/dbraw/zinc/27/86/66/541278666.db2.gz SIYJKKXEELRTKO-KBPBESRZSA-N 2 0 270.380 2.888 20 0 CFADRP Cc1ncc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)n1C ZINC000667592447 541264990 /nfs/dbraw/zinc/26/49/90/541264990.db2.gz UWSQWSBOJSMUAY-KRWDZBQOSA-N 2 0 285.391 2.692 20 0 CFADRP CC[N@H+](C)C[C@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000320418752 541299895 /nfs/dbraw/zinc/29/98/95/541299895.db2.gz TUUTWAVZQYBDHH-GOSISDBHSA-N 2 0 298.430 2.678 20 0 CFADRP CO[C@@H](C)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000667663846 541283149 /nfs/dbraw/zinc/28/31/49/541283149.db2.gz YABVICRXZQMSBD-AWEZNQCLSA-N 2 0 288.395 2.513 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428030309 239362186 /nfs/dbraw/zinc/36/21/86/239362186.db2.gz HTDWWXWFTXVIGU-DLBZAZTESA-N 2 0 258.409 2.611 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667786999 541314139 /nfs/dbraw/zinc/31/41/39/541314139.db2.gz GRMFIMQDQPAPFR-HYVNUMGLSA-N 2 0 280.456 2.656 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667788007 541314995 /nfs/dbraw/zinc/31/49/95/541314995.db2.gz FMVOLZSKYBGPBE-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP COCc1csc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000668027850 541369869 /nfs/dbraw/zinc/36/98/69/541369869.db2.gz RUIRTPLRBOWRAH-UHFFFAOYSA-N 2 0 294.464 2.955 20 0 CFADRP Cc1ncc(C[N@@H+]2CCc3cccc(C)c3C2)n1C ZINC000668063325 541377600 /nfs/dbraw/zinc/37/76/00/541377600.db2.gz JZCQVTURFTXILI-UHFFFAOYSA-N 2 0 255.365 2.595 20 0 CFADRP CCOc1ccc(CN2CC[NH+]3CCC2CC3)c(C)c1 ZINC000668162875 541390468 /nfs/dbraw/zinc/39/04/68/541390468.db2.gz LGVALCDANGFGKX-UHFFFAOYSA-N 2 0 274.408 2.674 20 0 CFADRP CC1(C)CC([NH2+]CC2(N3CCCCC3)CCOCC2)C1 ZINC000433283375 240136325 /nfs/dbraw/zinc/13/63/25/240136325.db2.gz OIBGQLSTXRRJFH-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CCCc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000435379818 240305831 /nfs/dbraw/zinc/30/58/31/240305831.db2.gz NVEWFGXQMDJDQK-UHFFFAOYSA-N 2 0 290.451 2.969 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435377322 240305987 /nfs/dbraw/zinc/30/59/87/240305987.db2.gz AHKRVYBPZQCJAC-HIFRSBDPSA-N 2 0 288.435 2.959 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc3cc(OC)ccc3o2)CC1 ZINC000435380302 240306470 /nfs/dbraw/zinc/30/64/70/240306470.db2.gz NHHZCHKFGXECGT-UHFFFAOYSA-N 2 0 288.391 2.873 20 0 CFADRP C[N@H+](CCCOCCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435610642 240333732 /nfs/dbraw/zinc/33/37/32/240333732.db2.gz LIJHRTXIWRCGHZ-SFHVURJKSA-N 2 0 290.451 2.710 20 0 CFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@H]3C(C)(C)C)C2)CC1 ZINC000672603733 541443523 /nfs/dbraw/zinc/44/35/23/541443523.db2.gz PMNYLVHWDJAMAP-UAGQMJEPSA-N 2 0 293.499 2.569 20 0 CFADRP C[N@H+](C/C=C\c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435438020 240314980 /nfs/dbraw/zinc/31/49/80/240314980.db2.gz NINOCWQAWZQKDE-QGZUEGPWSA-N 2 0 262.372 2.913 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435432575 240315275 /nfs/dbraw/zinc/31/52/75/240315275.db2.gz NTFDMTGLXHAEEG-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccccc1/C=C\C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435448331 240315513 /nfs/dbraw/zinc/31/55/13/240315513.db2.gz UXDKEKGKQBSRJK-IOBAAEILSA-N 2 0 274.408 2.782 20 0 CFADRP C[N@H+](Cc1ccc(OCC(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435434224 240315740 /nfs/dbraw/zinc/31/57/40/240315740.db2.gz WRDYWUYKOWSLOL-CQSZACIVSA-N 2 0 298.377 2.904 20 0 CFADRP COc1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000436250780 240415237 /nfs/dbraw/zinc/41/52/37/240415237.db2.gz YWSLOAHNNAQTOP-AWEZNQCLSA-N 2 0 279.428 2.546 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC3=CC[N@H+](C)CC3)ccc2n1 ZINC000275671732 193101841 /nfs/dbraw/zinc/10/18/41/193101841.db2.gz XICLDISTIJYJCJ-UHFFFAOYSA-N 2 0 281.403 2.895 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443075940 241035963 /nfs/dbraw/zinc/03/59/63/241035963.db2.gz RZUVFTRXCHFLPW-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442866342 241010266 /nfs/dbraw/zinc/01/02/66/241010266.db2.gz ICPLZPXKTJKCKX-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443062644 241034890 /nfs/dbraw/zinc/03/48/90/241034890.db2.gz UPDWLWOASPCTDV-INIZCTEOSA-N 2 0 276.424 2.689 20 0 CFADRP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444605335 241151244 /nfs/dbraw/zinc/15/12/44/241151244.db2.gz DEVSSVRHGCMTKI-DOTOQJQBSA-N 2 0 296.455 2.574 20 0 CFADRP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCC[NH+]1CCCCC1 ZINC000444605338 241153694 /nfs/dbraw/zinc/15/36/94/241153694.db2.gz DEVSSVRHGCMTKI-RDJZCZTQSA-N 2 0 296.455 2.574 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)CC1(O)CCCCCC1 ZINC000444627642 241157390 /nfs/dbraw/zinc/15/73/90/241157390.db2.gz AWROCKIOILJCHK-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP CCC1CC[NH+](CC(O)C[NH+]2CCC(CC)CC2)CC1 ZINC000447161819 241357978 /nfs/dbraw/zinc/35/79/78/241357978.db2.gz BVJCAGRKHFLVQR-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000446839057 241332492 /nfs/dbraw/zinc/33/24/92/241332492.db2.gz OSSGHGOMSNWODH-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000447600109 241392187 /nfs/dbraw/zinc/39/21/87/241392187.db2.gz LSFPDJPRYBIXNZ-ROUUACIJSA-N 2 0 290.451 2.665 20 0 CFADRP C(C[NH+]1CCC[C@@H]1C1CC1)OCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000674233678 541548750 /nfs/dbraw/zinc/54/87/50/541548750.db2.gz NARKSPVGTKTBHP-QZTJIDSGSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CO)C3)CC2)C1 ZINC000449426252 241924973 /nfs/dbraw/zinc/92/49/73/241924973.db2.gz KGAJPAIILPPAFD-LMSBXDPUSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)O ZINC000449544102 242016826 /nfs/dbraw/zinc/01/68/26/242016826.db2.gz PPZQFWWDWGWDRE-LMSBXDPUSA-N 2 0 290.451 2.646 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000423393971 299388190 /nfs/dbraw/zinc/38/81/90/299388190.db2.gz MNONONWNPGJBLE-GDZNZVCISA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCC[C@@H]1C ZINC000675746647 541687538 /nfs/dbraw/zinc/68/75/38/541687538.db2.gz PAAFATHRNBFLKV-XHSDSOJGSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)C[NH+]1CCCC1 ZINC000453061315 243383137 /nfs/dbraw/zinc/38/31/37/243383137.db2.gz NTXNMWYIZHJCTA-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875918 541701936 /nfs/dbraw/zinc/70/19/36/541701936.db2.gz UUSKNSYFNDEOKH-IRXDYDNUSA-N 2 0 293.499 2.879 20 0 CFADRP C[C@@H]([NH2+]CCCO[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422979276 296124300 /nfs/dbraw/zinc/12/43/00/296124300.db2.gz IXRPEFRHTAXBOZ-RDTXWAMCSA-N 2 0 288.435 2.668 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453120260 243412685 /nfs/dbraw/zinc/41/26/85/243412685.db2.gz CPWAPGUFXUJDKP-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414755063 284084479 /nfs/dbraw/zinc/08/44/79/284084479.db2.gz OOXHGKVBICMOAD-HUUCEWRRSA-N 2 0 256.434 2.641 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000675928073 541709765 /nfs/dbraw/zinc/70/97/65/541709765.db2.gz IFGJTHZGVLKZFZ-GFCCVEGCSA-N 2 0 298.377 2.664 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1N(C)C ZINC000423505468 299394345 /nfs/dbraw/zinc/39/43/45/299394345.db2.gz LOUUDBQNDRQAKM-BFHYXJOUSA-N 2 0 261.413 2.531 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423342550 296130347 /nfs/dbraw/zinc/13/03/47/296130347.db2.gz NFTLLZDJXCJQNA-PBHICJAKSA-N 2 0 275.440 2.793 20 0 CFADRP CCCC[C@H](COC)[NH2+]C1CC[NH+](CCC)CC1 ZINC000161630969 541726881 /nfs/dbraw/zinc/72/68/81/541726881.db2.gz HJFJDZXKOABWNN-OAHLLOKOSA-N 2 0 256.434 2.656 20 0 CFADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000276140186 193224746 /nfs/dbraw/zinc/22/47/46/193224746.db2.gz BEIUGUSTPJBCOT-MRXNPFEDSA-N 2 0 289.423 2.561 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000276404900 193317840 /nfs/dbraw/zinc/31/78/40/193317840.db2.gz TXDACRIFZPCJFJ-JTQLQIEISA-N 2 0 288.844 2.509 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197787 296149181 /nfs/dbraw/zinc/14/91/81/296149181.db2.gz NVHCTJBWKXEICA-QKPAOTATSA-N 2 0 280.456 2.654 20 0 CFADRP C1=CC[C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000676901872 541804478 /nfs/dbraw/zinc/80/44/78/541804478.db2.gz LJESOISBVBDTDI-WBVHZDCISA-N 2 0 278.440 2.576 20 0 CFADRP c1cc(O[C@@H]2CC[N@@H+](CCOCC3CCCC3)C2)ccn1 ZINC000459349671 245152570 /nfs/dbraw/zinc/15/25/70/245152570.db2.gz NYURAXAKYOFZCY-QGZVFWFLSA-N 2 0 290.407 2.742 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000459636196 245254646 /nfs/dbraw/zinc/25/46/46/245254646.db2.gz JTWRQTHGWSDLBZ-DOTOQJQBSA-N 2 0 275.440 2.867 20 0 CFADRP CCc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000459729289 245287587 /nfs/dbraw/zinc/28/75/87/245287587.db2.gz IYGITLUNGSPJSB-ZDUSSCGKSA-N 2 0 250.386 2.664 20 0 CFADRP COc1ccc(OC)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459730150 245288028 /nfs/dbraw/zinc/28/80/28/245288028.db2.gz JXHJXDOFDHLYAC-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1F ZINC000459734857 245293485 /nfs/dbraw/zinc/29/34/85/245293485.db2.gz OQYWPCBETVBUJF-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC000459692387 245275196 /nfs/dbraw/zinc/27/51/96/245275196.db2.gz GYZHIXYMJJZSPA-MRXNPFEDSA-N 2 0 288.435 2.625 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765419 245312141 /nfs/dbraw/zinc/31/21/41/245312141.db2.gz PCBLYDSQPBUKTO-COXVUDFISA-N 2 0 282.391 2.854 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459775892 245318906 /nfs/dbraw/zinc/31/89/06/245318906.db2.gz JOULJIXHLYZXBX-GJZGRUSLSA-N 2 0 261.413 2.773 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459781842 245322656 /nfs/dbraw/zinc/32/26/56/245322656.db2.gz MQOBNSSDQQZRQS-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccn(C)n1 ZINC000459791946 245329118 /nfs/dbraw/zinc/32/91/18/245329118.db2.gz NOPLKTNHPZYOLO-HNNXBMFYSA-N 2 0 278.444 2.727 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000019915216 372208214 /nfs/dbraw/zinc/20/82/14/372208214.db2.gz JDFIVBFIBMHEKG-AWEZNQCLSA-N 2 0 264.413 2.992 20 0 CFADRP C[N@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000036301523 372571961 /nfs/dbraw/zinc/57/19/61/372571961.db2.gz SHRCDXDVKFVOEI-UHFFFAOYSA-N 2 0 283.213 2.633 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037622557 372678705 /nfs/dbraw/zinc/67/87/05/372678705.db2.gz ZIDGXWMJFYGXEZ-QGZVFWFLSA-N 2 0 291.439 2.984 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000037643754 372678966 /nfs/dbraw/zinc/67/89/66/372678966.db2.gz CFQBPDOVHWGAAQ-ZDUSSCGKSA-N 2 0 284.350 2.719 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(SC)cc2)C1 ZINC000037644252 372680438 /nfs/dbraw/zinc/68/04/38/372680438.db2.gz SUPWKPFEAHSXHM-AWEZNQCLSA-N 2 0 264.438 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000037644131 372681966 /nfs/dbraw/zinc/68/19/66/372681966.db2.gz MANVNZRKAOYAQM-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP COc1ccc([C@@H]([NH2+]CCC[NH3+])c2ccccc2)cc1 ZINC000037713571 372691135 /nfs/dbraw/zinc/69/11/35/372691135.db2.gz FPPIZAYLTYTRPV-KRWDZBQOSA-N 2 0 270.376 2.723 20 0 CFADRP c1cnc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2c1 ZINC000037864211 372730374 /nfs/dbraw/zinc/73/03/74/372730374.db2.gz MKNCXJZHKYQISM-HNNXBMFYSA-N 2 0 281.403 2.809 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000333244907 205150571 /nfs/dbraw/zinc/15/05/71/205150571.db2.gz FOFVFAVCKKWPNC-BZUAXINKSA-N 2 0 259.397 2.782 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)s1)CC1CC[NH2+]CC1 ZINC000042489338 372929266 /nfs/dbraw/zinc/92/92/66/372929266.db2.gz SYOPWDICAXAXNL-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP CC(C)CCOCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000045094031 373014751 /nfs/dbraw/zinc/01/47/51/373014751.db2.gz ZQKXIYVRTAFZOG-UHFFFAOYSA-N 2 0 291.439 2.703 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(Br)cs1 ZINC000045598316 373023814 /nfs/dbraw/zinc/02/38/14/373023814.db2.gz AWKLSYIBJTZHOA-UHFFFAOYSA-N 2 0 291.258 2.942 20 0 CFADRP CCOc1ccc(C[NH2+]CCCC[NH+](C)C)cc1OC ZINC000045598369 373023825 /nfs/dbraw/zinc/02/38/25/373023825.db2.gz OFBPJGCSTMOTTQ-UHFFFAOYSA-N 2 0 280.412 2.525 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000049553906 373310316 /nfs/dbraw/zinc/31/03/16/373310316.db2.gz KTOUYAZNZBLWDJ-MGWQBKBZSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051630839 373403853 /nfs/dbraw/zinc/40/38/53/373403853.db2.gz UIDCVJWVNQKNDM-DTTOXWODSA-N 2 0 272.436 2.862 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000051693532 373405394 /nfs/dbraw/zinc/40/53/94/373405394.db2.gz RECRJJVTJWNRLB-UHFFFAOYSA-N 2 0 283.213 2.809 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000051919574 373417308 /nfs/dbraw/zinc/41/73/08/373417308.db2.gz FBHSDGPWATVZCB-ZDUSSCGKSA-N 2 0 250.361 2.647 20 0 CFADRP Cc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051957594 373420766 /nfs/dbraw/zinc/42/07/66/373420766.db2.gz RLKCCAKFZIXPCH-UHFFFAOYSA-N 2 0 288.435 2.539 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000123531029 220212174 /nfs/dbraw/zinc/21/21/74/220212174.db2.gz PSAZLBRHMZVLBW-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc(C)c1O ZINC000057994164 373620838 /nfs/dbraw/zinc/62/08/38/373620838.db2.gz RKQAMBBLCVULPG-CYBMUJFWSA-N 2 0 276.424 2.831 20 0 CFADRP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000057993933 373621225 /nfs/dbraw/zinc/62/12/25/373621225.db2.gz GDLOEUMNUIZJRA-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000252878922 220230096 /nfs/dbraw/zinc/23/00/96/220230096.db2.gz XLFRMFCFZKVYNC-YDHLFZDLSA-N 2 0 294.826 2.908 20 0 CFADRP C(C[NH+]1CCC2(CC2)CC1)OCC[NH+]1CCC2(CC2)CC1 ZINC000677717980 541892280 /nfs/dbraw/zinc/89/22/80/541892280.db2.gz RDOLPUXHLZXHKE-UHFFFAOYSA-N 2 0 292.467 2.755 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000063158896 373788906 /nfs/dbraw/zinc/78/89/06/373788906.db2.gz PDYGROZTOHQYFM-UHFFFAOYSA-N 2 0 258.365 2.864 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000063158798 373788962 /nfs/dbraw/zinc/78/89/62/373788962.db2.gz HOLNPSXIDBTTQJ-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000063166051 373788995 /nfs/dbraw/zinc/78/89/95/373788995.db2.gz WMWNPRYPSRKAMS-UHFFFAOYSA-N 2 0 276.424 2.614 20 0 CFADRP C[C@@H](c1ccccn1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197563 373794110 /nfs/dbraw/zinc/79/41/10/373794110.db2.gz LVDSSLUEEXUCSI-BBRMVZONSA-N 2 0 259.397 2.607 20 0 CFADRP COc1ccc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199756 373797367 /nfs/dbraw/zinc/79/73/67/373797367.db2.gz DMOXFLPIOJQLCD-GOSISDBHSA-N 2 0 288.435 2.702 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000066057127 373908921 /nfs/dbraw/zinc/90/89/21/373908921.db2.gz JFCJVRJIELTKON-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000070074152 374121920 /nfs/dbraw/zinc/12/19/20/374121920.db2.gz HXJFMFCQISVYHZ-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000070169690 374134860 /nfs/dbraw/zinc/13/48/60/374134860.db2.gz KTWSMZJJXQLDNL-CYBMUJFWSA-N 2 0 258.365 2.994 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000070158214 374129613 /nfs/dbraw/zinc/12/96/13/374129613.db2.gz MXNHNGRCEOCGHJ-LLVKDONJSA-N 2 0 254.324 2.526 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000070150015 374129761 /nfs/dbraw/zinc/12/97/61/374129761.db2.gz YIEMEDUKDZTWQE-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000070158189 374129797 /nfs/dbraw/zinc/12/97/97/374129797.db2.gz ASUFOFDVTBNDES-NSHDSACASA-N 2 0 254.324 2.526 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148718 374130074 /nfs/dbraw/zinc/13/00/74/374130074.db2.gz DPTOIUVMLPBVBY-HNNXBMFYSA-N 2 0 262.397 2.789 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCSc1ccccc1 ZINC000070149620 374130124 /nfs/dbraw/zinc/13/01/24/374130124.db2.gz IFLHSKBMCYUBBM-AWEZNQCLSA-N 2 0 264.438 2.982 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000069723960 374089517 /nfs/dbraw/zinc/08/95/17/374089517.db2.gz JCEGLCZWBIOZLS-JTQLQIEISA-N 2 0 258.818 2.962 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000070169691 374136193 /nfs/dbraw/zinc/13/61/93/374136193.db2.gz KTWSMZJJXQLDNL-ZDUSSCGKSA-N 2 0 258.365 2.994 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1F ZINC000070171839 374137301 /nfs/dbraw/zinc/13/73/01/374137301.db2.gz GLKMLHQTQGWGPH-OCCSQVGLSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1F ZINC000070171840 374138238 /nfs/dbraw/zinc/13/82/38/374138238.db2.gz GLKMLHQTQGWGPH-TZMCWYRMSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070498127 374187376 /nfs/dbraw/zinc/18/73/76/374187376.db2.gz BSOPSEJBWCNRSV-CXAGYDPISA-N 2 0 258.409 2.735 20 0 CFADRP CCCC[C@@H](CC)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491247709 246053886 /nfs/dbraw/zinc/05/38/86/246053886.db2.gz FKHIMPPZEWMDRX-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CCCC[C@@H](CC)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491247706 246054076 /nfs/dbraw/zinc/05/40/76/246054076.db2.gz FKHIMPPZEWMDRX-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP COCCC1(C[NH2+]C[C@@H](C)C[NH+](C)C)CCCCC1 ZINC000491595883 246085198 /nfs/dbraw/zinc/08/51/98/246085198.db2.gz FHQHGAHEEIKWHF-OAHLLOKOSA-N 2 0 270.461 2.761 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C[NH+](C)C ZINC000491542367 246077654 /nfs/dbraw/zinc/07/76/54/246077654.db2.gz CVOYGEDLCVOYBC-INMHGKMJSA-N 2 0 275.440 2.895 20 0 CFADRP C[C@H](C[NH2+]C/C=C/c1ccc(F)cc1F)C[NH+](C)C ZINC000491557201 246080089 /nfs/dbraw/zinc/08/00/89/246080089.db2.gz BQEGBTGMRBEOHB-ZYOFXKKJSA-N 2 0 268.351 2.765 20 0 CFADRP CC[N@H+](C)CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073644256 374362998 /nfs/dbraw/zinc/36/29/98/374362998.db2.gz LNTLBCLDGKJKLA-UHFFFAOYSA-N 2 0 298.390 2.507 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)CN1C1CC1 ZINC000678016287 541936669 /nfs/dbraw/zinc/93/66/69/541936669.db2.gz UBRLJMFTKRXSJN-IIAWOOMASA-N 2 0 280.456 2.797 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000334147345 206084153 /nfs/dbraw/zinc/08/41/53/206084153.db2.gz UBLVLVAQPGXJGQ-AWEZNQCLSA-N 2 0 274.408 2.832 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000250161118 189965895 /nfs/dbraw/zinc/96/58/95/189965895.db2.gz HODUWODJPQXYFB-BRWVUGGUSA-N 2 0 273.424 2.525 20 0 CFADRP CC[C@@H](C)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678140596 541960582 /nfs/dbraw/zinc/96/05/82/541960582.db2.gz JNLKWPAOXOKRQY-CQSZACIVSA-N 2 0 264.413 2.857 20 0 CFADRP CC[C@@H](COC)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000079719228 374628448 /nfs/dbraw/zinc/62/84/48/374628448.db2.gz USVBOBWMMWCLCV-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C12CCCC2 ZINC000085680937 374803638 /nfs/dbraw/zinc/80/36/38/374803638.db2.gz JKQCQLXYWIJURK-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000084475277 374777762 /nfs/dbraw/zinc/77/77/62/374777762.db2.gz PNLCLXLLJWXBLL-QGZVFWFLSA-N 2 0 274.408 2.531 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000089146122 374875760 /nfs/dbraw/zinc/87/57/60/374875760.db2.gz LFUIOFYYCZULEK-JSGCOSHPSA-N 2 0 252.789 2.947 20 0 CFADRP COc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164169 374835847 /nfs/dbraw/zinc/83/58/47/374835847.db2.gz QJBSNBIQNCDEKO-MQVJKMGUSA-N 2 0 274.408 2.800 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000090176560 374997320 /nfs/dbraw/zinc/99/73/20/374997320.db2.gz PMORCQLCXPPWQO-XYPHTWIQSA-N 2 0 294.414 2.833 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CC)[C@@H](C)C1 ZINC000093075503 375181893 /nfs/dbraw/zinc/18/18/93/375181893.db2.gz LIIVQWUXCZVBJM-JYJNAYRXSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000093066510 375181914 /nfs/dbraw/zinc/18/19/14/375181914.db2.gz AHDNYFYJLFJYDZ-AWEZNQCLSA-N 2 0 264.413 2.763 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccnc1 ZINC000092743037 375148770 /nfs/dbraw/zinc/14/87/70/375148770.db2.gz XREQILHOVAYFPS-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000092804632 375156459 /nfs/dbraw/zinc/15/64/59/375156459.db2.gz KBSCBJBTQZRDJN-FRRDWIJNSA-N 2 0 252.446 2.987 20 0 CFADRP CC[C@@H](C)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000093077157 375183617 /nfs/dbraw/zinc/18/36/17/375183617.db2.gz WJKULXYDKZBKOZ-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000093089315 375184767 /nfs/dbraw/zinc/18/47/67/375184767.db2.gz BPMWOJYXIUYBBK-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)CC)[C@@H](C)C1 ZINC000093075501 375181564 /nfs/dbraw/zinc/18/15/64/375181564.db2.gz LIIVQWUXCZVBJM-HRCADAONSA-N 2 0 270.461 2.759 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000093452841 375244035 /nfs/dbraw/zinc/24/40/35/375244035.db2.gz QMUQXGUTSLEINW-KFWWJZLASA-N 2 0 264.438 2.801 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452429 375244123 /nfs/dbraw/zinc/24/41/23/375244123.db2.gz JXKKBDCDWCDOJX-YESZJQIVSA-N 2 0 274.408 2.706 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000093211251 375195548 /nfs/dbraw/zinc/19/55/48/375195548.db2.gz HPBKOXZZVHLBTN-RWMBFGLXSA-N 2 0 278.396 2.624 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093210594 375195609 /nfs/dbraw/zinc/19/56/09/375195609.db2.gz IIQGQYDDQDDLTE-PJODQICGSA-N 2 0 275.396 2.566 20 0 CFADRP Cc1cccnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000093256743 375199719 /nfs/dbraw/zinc/19/97/19/375199719.db2.gz PYQFOEQGERGDLT-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CCCCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093490938 375253701 /nfs/dbraw/zinc/25/37/01/375253701.db2.gz PFRNWAXLDNTBOP-HRCADAONSA-N 2 0 268.445 2.704 20 0 CFADRP c1coc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488739 375253806 /nfs/dbraw/zinc/25/38/06/375253806.db2.gz LBDDJZFTODPLAT-OWCLPIDISA-N 2 0 262.397 2.723 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093491228 375254402 /nfs/dbraw/zinc/25/44/02/375254402.db2.gz XKYDACOGXVRODD-OKZBNKHCSA-N 2 0 288.435 2.966 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)[C@H](C)C1 ZINC000093638983 375276167 /nfs/dbraw/zinc/27/61/67/375276167.db2.gz VIVHJRVEGYNWEG-CZUORRHYSA-N 2 0 286.423 2.725 20 0 CFADRP C[N@H+](Cc1cccc2cccnc21)CC(C)(C)C[NH3+] ZINC000093861128 375323004 /nfs/dbraw/zinc/32/30/04/375323004.db2.gz AJFXAISUOSJZSE-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1Cl ZINC000093861174 375324139 /nfs/dbraw/zinc/32/41/39/375324139.db2.gz JCCFEDFZHQOLPY-UHFFFAOYSA-N 2 0 270.804 2.765 20 0 CFADRP CCCCOCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515923 375262502 /nfs/dbraw/zinc/26/25/02/375262502.db2.gz LXCBDKFHMSPYKN-GJZGRUSLSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010779 375335053 /nfs/dbraw/zinc/33/50/53/375335053.db2.gz JNGVSXYUMNXARD-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070538 375338120 /nfs/dbraw/zinc/33/81/20/375338120.db2.gz YUMWVEHPDWTAJR-QGZVFWFLSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@H]1C[C@H](C)[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678277397 541998272 /nfs/dbraw/zinc/99/82/72/541998272.db2.gz UICUBNTVXQKYEQ-GJZGRUSLSA-N 2 0 276.424 2.857 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000678334099 542007466 /nfs/dbraw/zinc/00/74/66/542007466.db2.gz PIUXXJWMPYHTTO-CABCVRRESA-N 2 0 276.424 2.857 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678430202 542025767 /nfs/dbraw/zinc/02/57/67/542025767.db2.gz ZYQIXHQGQPEAGJ-GOEBONIOSA-N 2 0 293.455 2.706 20 0 CFADRP COCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229210 375723685 /nfs/dbraw/zinc/72/36/85/375723685.db2.gz RXRIGHPRMQJSNT-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513207882 247218940 /nfs/dbraw/zinc/21/89/40/247218940.db2.gz IAYLYXVEENAXEZ-QGZVFWFLSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000513495152 247223571 /nfs/dbraw/zinc/22/35/71/247223571.db2.gz LYNYTIDQSKUWDN-KBAYOESNSA-N 2 0 288.435 2.666 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000678597628 542048566 /nfs/dbraw/zinc/04/85/66/542048566.db2.gz FZIRDFJBTCRRTA-JYJNAYRXSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)CC[N@@H+]1C ZINC000678597458 542048682 /nfs/dbraw/zinc/04/86/82/542048682.db2.gz HHFNKRIEGYLCPW-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CCC2)[C@H](C)C1 ZINC000678598812 542049222 /nfs/dbraw/zinc/04/92/22/542049222.db2.gz TYXFMGSZFNHMLL-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C[C@H]1OC ZINC000678600918 542050528 /nfs/dbraw/zinc/05/05/28/542050528.db2.gz PIFOAZMOQMYYIB-FVQBIDKESA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000111695641 375863466 /nfs/dbraw/zinc/86/34/66/375863466.db2.gz INYJVDRCUJKSLV-HIFRSBDPSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000111612320 375858531 /nfs/dbraw/zinc/85/85/31/375858531.db2.gz VUPWRBKXVMCYRU-SNVBAGLBSA-N 2 0 254.324 2.524 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cncn2C)cc1 ZINC000112339578 375907471 /nfs/dbraw/zinc/90/74/71/375907471.db2.gz HQRQBGXWAIJLFX-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP Cc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000118953695 376326097 /nfs/dbraw/zinc/32/60/97/376326097.db2.gz CALVZAVOFOAVQR-KBAYOESNSA-N 2 0 289.467 2.670 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)CC[N@@H+]1C ZINC000119439346 376414484 /nfs/dbraw/zinc/41/44/84/376414484.db2.gz ILKWLQDHWFNDMB-GXTWGEPZSA-N 2 0 266.816 2.955 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccnc(C)c2)[C@H](C)C1 ZINC000119182820 376367447 /nfs/dbraw/zinc/36/74/47/376367447.db2.gz VQHFMUKGIPVTDP-IUODEOHRSA-N 2 0 290.411 2.584 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119872187 376492520 /nfs/dbraw/zinc/49/25/20/376492520.db2.gz ZHAUTRUQIWBTSH-JKIFEVAISA-N 2 0 275.440 2.571 20 0 CFADRP Cc1ccnc(N2CCN([C@@H](C)c3ccccn3)CC2)c1 ZINC000120048448 376535450 /nfs/dbraw/zinc/53/54/50/376535450.db2.gz XSWMWEOUMXBENQ-HNNXBMFYSA-N 2 0 282.391 2.668 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000120931442 376723641 /nfs/dbraw/zinc/72/36/41/376723641.db2.gz HOOIRPCDUXLHEZ-KFWWJZLASA-N 2 0 280.456 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccccc3F)CC[C@@H]21 ZINC000121436296 376832749 /nfs/dbraw/zinc/83/27/49/376832749.db2.gz CGMLXXARHUWOQQ-WBVHZDCISA-N 2 0 276.399 2.784 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124190982 377023776 /nfs/dbraw/zinc/02/37/76/377023776.db2.gz HCTRYJHJMOARDB-INIZCTEOSA-N 2 0 289.423 2.561 20 0 CFADRP C[N@H+](CCc1ccccn1)Cc1ccc(-n2ccnc2)cc1 ZINC000123817946 376982418 /nfs/dbraw/zinc/98/24/18/376982418.db2.gz LANQRPVNGNZAPD-UHFFFAOYSA-N 2 0 292.386 2.942 20 0 CFADRP COCC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)C(C)C ZINC000126444839 377228544 /nfs/dbraw/zinc/22/85/44/377228544.db2.gz UMTLLZRGXKDEHY-UYTSQGDYSA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCOC1 ZINC000125931211 377201332 /nfs/dbraw/zinc/20/13/32/377201332.db2.gz NCERENYAUONPQD-JYJNAYRXSA-N 2 0 268.445 2.512 20 0 CFADRP c1cn(C2CCCC2)nc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128111362 377316716 /nfs/dbraw/zinc/31/67/16/377316716.db2.gz OBMMCHFPBVYZNY-WMLDXEAASA-N 2 0 288.439 2.715 20 0 CFADRP CC[C@@H](C)C[C@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128499634 377341339 /nfs/dbraw/zinc/34/13/39/377341339.db2.gz DIRSXWZOCYFINA-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127873111 377305923 /nfs/dbraw/zinc/30/59/23/377305923.db2.gz HZDCURZQOAEUDC-LRDDRELGSA-N 2 0 289.398 2.779 20 0 CFADRP CCCC[C@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128594956 377348069 /nfs/dbraw/zinc/34/80/69/377348069.db2.gz KXILZGPZTOTLLC-INIZCTEOSA-N 2 0 269.477 2.572 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129543980 377443473 /nfs/dbraw/zinc/44/34/73/377443473.db2.gz DBCJBCQUSNDYPA-RBSFLKMASA-N 2 0 292.423 2.535 20 0 CFADRP C[C@@H]1C[C@@H](NCCC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000129820159 377477126 /nfs/dbraw/zinc/47/71/26/377477126.db2.gz KRIGURFCJMBOCW-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000679334323 542171214 /nfs/dbraw/zinc/17/12/14/542171214.db2.gz PDCUTBKWPXQRLG-HOTGVXAUSA-N 2 0 270.461 2.639 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000130223132 377523769 /nfs/dbraw/zinc/52/37/69/377523769.db2.gz ZPBWBVZTVAASKH-PBHICJAKSA-N 2 0 276.424 2.558 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449238474 284640286 /nfs/dbraw/zinc/64/02/86/284640286.db2.gz RIZGHQGCULIEBG-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000130280533 377532557 /nfs/dbraw/zinc/53/25/57/377532557.db2.gz VRNGJTSOPLYVSI-DZKIICNBSA-N 2 0 276.424 2.699 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000130478556 377563670 /nfs/dbraw/zinc/56/36/70/377563670.db2.gz RSAXNLWLVZKQJZ-ROUUACIJSA-N 2 0 290.451 2.881 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000679392788 542186566 /nfs/dbraw/zinc/18/65/66/542186566.db2.gz QFLPVQVJSGTHPG-MAUKXSAKSA-N 2 0 286.419 2.841 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(O)cc1)C(C)(C)C ZINC000679393553 542186795 /nfs/dbraw/zinc/18/67/95/542186795.db2.gz BRINLXJZKUQZHG-OAHLLOKOSA-N 2 0 264.413 2.848 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000679397014 542187941 /nfs/dbraw/zinc/18/79/41/542187941.db2.gz YWAZDAPDWIFXSA-UHFFFAOYSA-N 2 0 276.424 2.944 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000679484644 542196772 /nfs/dbraw/zinc/19/67/72/542196772.db2.gz TXJPVUZMPBPELO-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000130972381 377640538 /nfs/dbraw/zinc/64/05/38/377640538.db2.gz SHQAQBAWAFDBNU-UHFFFAOYSA-N 2 0 258.365 2.864 20 0 CFADRP c1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000130990303 377642218 /nfs/dbraw/zinc/64/22/18/377642218.db2.gz GXGZCUOZEZLLIN-HZPDHXFCSA-N 2 0 274.408 2.672 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000131306184 377691108 /nfs/dbraw/zinc/69/11/08/377691108.db2.gz LEVRZUUJFACZJB-AWEZNQCLSA-N 2 0 265.376 2.603 20 0 CFADRP CC(C)COCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131940574 377782398 /nfs/dbraw/zinc/78/23/98/377782398.db2.gz PDUPONAGTCAVJD-HOTGVXAUSA-N 2 0 262.397 2.784 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000132164421 377811299 /nfs/dbraw/zinc/81/12/99/377811299.db2.gz CUPNYQZOIXLHEO-IJLUTSLNSA-N 2 0 264.335 2.697 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132251130 377818061 /nfs/dbraw/zinc/81/80/61/377818061.db2.gz YEZVVRUMUSHKJQ-WCQYABFASA-N 2 0 250.411 2.715 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529534247 383722782 /nfs/dbraw/zinc/72/27/82/383722782.db2.gz UDJRQOOWXPZJCO-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000133037471 377897668 /nfs/dbraw/zinc/89/76/68/377897668.db2.gz IHCOMRASFSLENJ-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000132952934 377889311 /nfs/dbraw/zinc/88/93/11/377889311.db2.gz YPVJXADQSDDQMX-JKSUJKDBSA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132644961 377861529 /nfs/dbraw/zinc/86/15/29/377861529.db2.gz UFIUTWRDNHHHRV-OAHLLOKOSA-N 2 0 290.451 2.777 20 0 CFADRP COc1ccccc1CN(C)CC[C@H]([NH3+])C(C)C ZINC000133366114 377924096 /nfs/dbraw/zinc/92/40/96/377924096.db2.gz QYYZZNQBDFZYAH-AWEZNQCLSA-N 2 0 250.386 2.500 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000133366978 377924645 /nfs/dbraw/zinc/92/46/45/377924645.db2.gz RIBJJERAWOKOBS-ZWKOTPCHSA-N 2 0 293.499 2.526 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000133383691 377925614 /nfs/dbraw/zinc/92/56/14/377925614.db2.gz OHJWCHLQAGLSBR-STQMWFEESA-N 2 0 295.496 2.913 20 0 CFADRP COCc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000133418863 377929334 /nfs/dbraw/zinc/92/93/34/377929334.db2.gz NGVXMTRBUJJVRT-INIZCTEOSA-N 2 0 264.413 2.638 20 0 CFADRP CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1O ZINC000134004398 377975449 /nfs/dbraw/zinc/97/54/49/377975449.db2.gz IXDGURMGBZPCMD-UHFFFAOYSA-N 2 0 292.423 2.565 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000134082879 377980654 /nfs/dbraw/zinc/98/06/54/377980654.db2.gz PLXKWIUAVGBSAO-YHUYYLMFSA-N 2 0 282.472 2.758 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000134174389 377989599 /nfs/dbraw/zinc/98/95/99/377989599.db2.gz ZVSYRWRBQDRUPW-SQNIBIBYSA-N 2 0 294.483 2.661 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000134179776 377990796 /nfs/dbraw/zinc/99/07/96/377990796.db2.gz QBDYQGVQBHZWNY-KURKYZTESA-N 2 0 294.483 2.805 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCOc1ccccc1 ZINC000571772561 383725840 /nfs/dbraw/zinc/72/58/40/383725840.db2.gz DBBIKKWYUQBGBP-GJZGRUSLSA-N 2 0 262.397 2.657 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccn2)CC[NH2+]1 ZINC000571769813 383725998 /nfs/dbraw/zinc/72/59/98/383725998.db2.gz APFVJAGAZJEWGA-IJEWVQPXSA-N 2 0 259.397 2.607 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000149636928 378264897 /nfs/dbraw/zinc/26/48/97/378264897.db2.gz UUHVCELKTOMDRL-MLGOLLRUSA-N 2 0 262.372 2.744 20 0 CFADRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150822144 378274604 /nfs/dbraw/zinc/27/46/04/378274604.db2.gz JQUQJJSEVNOYPD-KRWDZBQOSA-N 2 0 258.409 2.647 20 0 CFADRP CC(C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000150920022 378281235 /nfs/dbraw/zinc/28/12/35/378281235.db2.gz BKSNDKNLQAUEIP-CQSZACIVSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000150991384 378284573 /nfs/dbraw/zinc/28/45/73/378284573.db2.gz UWLLMFIAMXVVQW-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000152439395 378416484 /nfs/dbraw/zinc/41/64/84/378416484.db2.gz WYQOOIAMBJSSHA-INIZCTEOSA-N 2 0 299.462 2.729 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151940114 378375411 /nfs/dbraw/zinc/37/54/11/378375411.db2.gz BJMLARHRSSGNRG-UONOGXRCSA-N 2 0 264.413 2.729 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000152455697 378418430 /nfs/dbraw/zinc/41/84/30/378418430.db2.gz CFZGISFRHLJSJD-GXTWGEPZSA-N 2 0 291.464 2.903 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000154260966 378551878 /nfs/dbraw/zinc/55/18/78/378551878.db2.gz UBAMQVPGXAJAFX-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)c2ccccc21 ZINC000157418249 378653960 /nfs/dbraw/zinc/65/39/60/378653960.db2.gz CZWOIVUVWLBUOK-IAGOWNOFSA-N 2 0 268.360 2.669 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158598718 378670242 /nfs/dbraw/zinc/67/02/42/378670242.db2.gz XNPCCEDWMCVNSU-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP CCN(C)C[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000571843267 383731196 /nfs/dbraw/zinc/73/11/96/383731196.db2.gz AXNHGJLDROCNPS-CJNGLKHVSA-N 2 0 298.858 2.515 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C1(O)CCCC1 ZINC000331594625 378712944 /nfs/dbraw/zinc/71/29/44/378712944.db2.gz TYBUANZDDLWFHI-UONOGXRCSA-N 2 0 268.445 2.567 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000332183924 378734364 /nfs/dbraw/zinc/73/43/64/378734364.db2.gz ARAKWCPJWWFSCL-VBNZEHGJSA-N 2 0 274.408 2.877 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccncc2Cl)C1 ZINC000529568520 383732244 /nfs/dbraw/zinc/73/22/44/383732244.db2.gz AKMVPXNEBNPAIN-HIFRSBDPSA-N 2 0 279.815 2.651 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)CCc1cccs1 ZINC000162069200 378892447 /nfs/dbraw/zinc/89/24/47/378892447.db2.gz LGLVYVBLKOFEML-UHFFFAOYSA-N 2 0 252.427 2.708 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000333887585 378873112 /nfs/dbraw/zinc/87/31/12/378873112.db2.gz WHLNYVHKIJTMPB-QAPCUYQASA-N 2 0 297.402 2.567 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@H](C)C1 ZINC000162854766 378937842 /nfs/dbraw/zinc/93/78/42/378937842.db2.gz LOGYXKKFZPWTCV-CVEARBPZSA-N 2 0 290.455 2.594 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000162455719 378913228 /nfs/dbraw/zinc/91/32/28/378913228.db2.gz MWBADLQSUIPUSF-ZDUSSCGKSA-N 2 0 258.369 2.670 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000162884483 378941208 /nfs/dbraw/zinc/94/12/08/378941208.db2.gz HWZLAZUJIVBEED-KRWDZBQOSA-N 2 0 288.435 2.970 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1C ZINC000162496185 378915277 /nfs/dbraw/zinc/91/52/77/378915277.db2.gz HNNVEUFMKOZWLM-QGZVFWFLSA-N 2 0 289.467 2.592 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000163489151 378977145 /nfs/dbraw/zinc/97/71/45/378977145.db2.gz PKDADSZNKAPJJC-SMDDNHRTSA-N 2 0 250.361 2.551 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+][C@@H]1CCCc2sccc21 ZINC000163407325 378969110 /nfs/dbraw/zinc/96/91/10/378969110.db2.gz IXWWWUVGYIUSDA-DZGCQCFKSA-N 2 0 294.464 2.826 20 0 CFADRP Fc1ccc(/C=C/C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000335268103 378994905 /nfs/dbraw/zinc/99/49/05/378994905.db2.gz AVLQVCCWVFQEDO-YVFUIXNUSA-N 2 0 274.383 2.770 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000335265950 378990635 /nfs/dbraw/zinc/99/06/35/378990635.db2.gz YDCFRWFMHODCEZ-CZUORRHYSA-N 2 0 284.407 2.554 20 0 CFADRP C[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163797000 378991822 /nfs/dbraw/zinc/99/18/22/378991822.db2.gz BZUGKTKPKYDQCB-KGLIPLIRSA-N 2 0 280.387 2.511 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ncc(C3CC3)o1)CC[NH2+]CC2 ZINC000335280541 379018981 /nfs/dbraw/zinc/01/89/81/379018981.db2.gz UZENEDWDOCYSLG-LBPRGKRZSA-N 2 0 275.396 2.516 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc(C3CC3)cs1)CC[NH2+]CC2 ZINC000335280584 379019345 /nfs/dbraw/zinc/01/93/45/379019345.db2.gz WNLDCKLKMDUPBE-GFCCVEGCSA-N 2 0 291.464 2.985 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400426595 284738559 /nfs/dbraw/zinc/73/85/59/284738559.db2.gz YVYLEYWMAWNYEL-MAUKXSAKSA-N 2 0 289.467 2.759 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCO1 ZINC000164890388 379027740 /nfs/dbraw/zinc/02/77/40/379027740.db2.gz WCPLRRNZDFCACC-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccccc1F ZINC000165925767 379044632 /nfs/dbraw/zinc/04/46/32/379044632.db2.gz MWWOISORMKVPAW-KGLIPLIRSA-N 2 0 282.403 2.833 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CN(C)C[C@H]3C)ccc2[nH]1 ZINC000335308238 379054035 /nfs/dbraw/zinc/05/40/35/379054035.db2.gz LTMYLVZAFHFHBT-BZNIZROVSA-N 2 0 257.381 2.516 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000278715492 194117744 /nfs/dbraw/zinc/11/77/44/194117744.db2.gz KQWSGXWUNPNVOL-UHFFFAOYSA-N 2 0 256.802 2.753 20 0 CFADRP C(=C/c1ccccc1)\CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334323988 379093739 /nfs/dbraw/zinc/09/37/39/379093739.db2.gz ZVILQNKVDVUVAI-AUNFYEFLSA-N 2 0 256.393 2.775 20 0 CFADRP C([C@H]1CCSC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000335345452 379129601 /nfs/dbraw/zinc/12/96/01/379129601.db2.gz XVEOYOXYRWVWSN-CQSZACIVSA-N 2 0 268.470 2.690 20 0 CFADRP C([C@@H]1CCSC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000335345451 379129684 /nfs/dbraw/zinc/12/96/84/379129684.db2.gz XVEOYOXYRWVWSN-AWEZNQCLSA-N 2 0 268.470 2.690 20 0 CFADRP CCC(CC)(CC)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000679997761 542262764 /nfs/dbraw/zinc/26/27/64/542262764.db2.gz SSLOVDUAQFBCDQ-MRXNPFEDSA-N 2 0 283.504 2.676 20 0 CFADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335483265 379379882 /nfs/dbraw/zinc/37/98/82/379379882.db2.gz MBENNVQQYBFYGY-CVEARBPZSA-N 2 0 262.372 2.803 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335500127 379408067 /nfs/dbraw/zinc/40/80/67/379408067.db2.gz MRMZNRRPVLZZND-MRXNPFEDSA-N 2 0 272.392 2.718 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000335505823 379418243 /nfs/dbraw/zinc/41/82/43/379418243.db2.gz SXRJJHISUBCLEA-LBPRGKRZSA-N 2 0 282.309 2.601 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)ncn3C)CC[NH2+]CC2 ZINC000335543974 379485116 /nfs/dbraw/zinc/48/51/16/379485116.db2.gz OMRQNOFBKDNZLR-AWEZNQCLSA-N 2 0 298.434 2.537 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000334588838 379582727 /nfs/dbraw/zinc/58/27/27/379582727.db2.gz ZPAPXMKWDNUSCZ-HOTGVXAUSA-N 2 0 256.393 2.618 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000335631927 379629777 /nfs/dbraw/zinc/62/97/77/379629777.db2.gz CRQPULAUIWYELW-ZIAGYGMSSA-N 2 0 264.438 2.878 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000335634177 379634002 /nfs/dbraw/zinc/63/40/02/379634002.db2.gz MYEDKVLWJQTMSA-KGLIPLIRSA-N 2 0 280.362 2.786 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1F ZINC000335637154 379640712 /nfs/dbraw/zinc/64/07/12/379640712.db2.gz WPNOJPKGACVTDW-OLZOCXBDSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1cc2cc(CN3CCCO[C@@H](C[NH3+])C3)oc2cc1C ZINC000335640611 379644790 /nfs/dbraw/zinc/64/47/90/379644790.db2.gz OKMYRGIHJNUTAW-INIZCTEOSA-N 2 0 288.391 2.599 20 0 CFADRP C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC000173948927 379806110 /nfs/dbraw/zinc/80/61/10/379806110.db2.gz QBCRORTUVKHRHK-CQSZACIVSA-N 2 0 284.444 2.524 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)c1 ZINC000335719752 379780283 /nfs/dbraw/zinc/78/02/83/379780283.db2.gz JZVNFAVFXLEDPL-MOPGFXCFSA-N 2 0 293.414 2.790 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC000335719755 379780397 /nfs/dbraw/zinc/78/03/97/379780397.db2.gz JZVNFAVFXLEDPL-RTBURBONSA-N 2 0 293.414 2.790 20 0 CFADRP Cc1cccn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cnc12 ZINC000335756600 379839341 /nfs/dbraw/zinc/83/93/41/379839341.db2.gz QCDNNPOOGWBQQZ-KRWDZBQOSA-N 2 0 298.434 2.607 20 0 CFADRP COC[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000174020141 379815319 /nfs/dbraw/zinc/81/53/19/379815319.db2.gz KDXLJPRKNWNKSM-ZDUSSCGKSA-N 2 0 282.453 2.585 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(c2ccccc2)CC1 ZINC000334876398 379937805 /nfs/dbraw/zinc/93/78/05/379937805.db2.gz XVGSMXSEDJFWEB-JOUKPKRSSA-N 2 0 299.462 2.761 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000334965070 379948956 /nfs/dbraw/zinc/94/89/56/379948956.db2.gz CXDWLZBHTKRATA-OAHLLOKOSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1cccc([C@@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000334980922 379950882 /nfs/dbraw/zinc/95/08/82/379950882.db2.gz QXDGBJRJSDBEPQ-WBVHZDCISA-N 2 0 288.435 2.743 20 0 CFADRP [NH3+]C[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334997493 379952463 /nfs/dbraw/zinc/95/24/63/379952463.db2.gz DBXWNXGNKAUPBG-WBMJQRKESA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998355 379952600 /nfs/dbraw/zinc/95/26/00/379952600.db2.gz PFRXSRLPTUHMTH-XHDPSFHLSA-N 2 0 264.800 2.998 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cnccc1N ZINC000335035702 379961389 /nfs/dbraw/zinc/96/13/89/379961389.db2.gz YEXOVLWMMVGHGP-ZJUUUORDSA-N 2 0 255.312 2.723 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000335181743 379991084 /nfs/dbraw/zinc/99/10/84/379991084.db2.gz OUAYHVDAHVDLMQ-BETUJISGSA-N 2 0 270.380 2.949 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335238002 380061527 /nfs/dbraw/zinc/06/15/27/380061527.db2.gz IAROKKIRGLPMTK-ZWKOTPCHSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@@H]1[NH3+] ZINC000335899224 380072978 /nfs/dbraw/zinc/07/29/78/380072978.db2.gz RKXUGGRRZWYAHH-YGRLFVJLSA-N 2 0 262.328 2.741 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335248769 380079167 /nfs/dbraw/zinc/07/91/67/380079167.db2.gz BODDYWJMNODDTR-CYBMUJFWSA-N 2 0 258.365 2.973 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335252977 380086640 /nfs/dbraw/zinc/08/66/40/380086640.db2.gz UQORGQSVXWQAGP-AWEZNQCLSA-N 2 0 297.240 2.989 20 0 CFADRP C[C@@H]1C[C@@H](NCc2sccc2Br)CC[NH2+]1 ZINC000335256814 380092559 /nfs/dbraw/zinc/09/25/59/380092559.db2.gz GILSKKRZKMLPOK-BDAKNGLRSA-N 2 0 289.242 2.741 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000335259585 380096552 /nfs/dbraw/zinc/09/65/52/380096552.db2.gz KNMUKGLXAYLXLE-FZMZJTMJSA-N 2 0 252.789 2.879 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1Cl ZINC000335262281 380101087 /nfs/dbraw/zinc/10/10/87/380101087.db2.gz SYPQINMYZSQRGH-WCQYABFASA-N 2 0 252.789 2.879 20 0 CFADRP Cc1cc(Br)ccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335262850 380101436 /nfs/dbraw/zinc/10/14/36/380101436.db2.gz WFIPPRNCPPZNMO-UHFFFAOYSA-N 2 0 297.240 2.941 20 0 CFADRP c1cc2n(c1)CC[N@@H+](CC1CC[NH2+]CC1)[C@H]2c1ccccc1 ZINC000336053415 380259311 /nfs/dbraw/zinc/25/93/11/380259311.db2.gz SBZFFCUJZXZGHD-IBGZPJMESA-N 2 0 295.430 2.893 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000177211573 380316723 /nfs/dbraw/zinc/31/67/23/380316723.db2.gz QVQSFNFXFPRNBV-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000336214339 380289301 /nfs/dbraw/zinc/28/93/01/380289301.db2.gz IANWDWOPQATWPY-HNNXBMFYSA-N 2 0 278.440 2.695 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000177947046 380396007 /nfs/dbraw/zinc/39/60/07/380396007.db2.gz AWQSWUJNKGYDTQ-CYBMUJFWSA-N 2 0 278.444 2.501 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000177401447 380338351 /nfs/dbraw/zinc/33/83/51/380338351.db2.gz ZVKBCZOVDZRTBZ-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000336418226 380342280 /nfs/dbraw/zinc/34/22/80/380342280.db2.gz IBWMIGVRWFMIKH-OAHLLOKOSA-N 2 0 288.435 2.712 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH3+] ZINC000336537795 380435127 /nfs/dbraw/zinc/43/51/27/380435127.db2.gz LEDDXODSVPHABG-KSSFIOAISA-N 2 0 281.403 2.918 20 0 CFADRP c1ccc([C@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178957131 380496416 /nfs/dbraw/zinc/49/64/16/380496416.db2.gz MVUQFLREYZJJIP-MRXNPFEDSA-N 2 0 276.449 2.776 20 0 CFADRP c1oc(-c2ccccc2)nc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336586976 380508909 /nfs/dbraw/zinc/50/89/09/380508909.db2.gz XFDUWXSYLUVEEQ-GOSISDBHSA-N 2 0 297.402 2.917 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654649 380584248 /nfs/dbraw/zinc/58/42/48/380584248.db2.gz DQUSTIIOXCTWGW-SOLBZPMBSA-N 3 0 289.467 2.614 20 0 CFADRP COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000336785608 380630553 /nfs/dbraw/zinc/63/05/53/380630553.db2.gz ABCSYDLTYFFDAT-GHMZBOCLSA-N 2 0 254.349 2.612 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H](C)CCCC[NH3+] ZINC000336792676 380639973 /nfs/dbraw/zinc/63/99/73/380639973.db2.gz SYZDUCANXFJSNG-CYBMUJFWSA-N 2 0 252.377 2.784 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000452115192 383747657 /nfs/dbraw/zinc/74/76/57/383747657.db2.gz LFBAKHDVTFKZAK-IRXDYDNUSA-N 2 0 281.488 2.664 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000336682461 380590403 /nfs/dbraw/zinc/59/04/03/380590403.db2.gz IBYTUDBDFCXHSI-MRVPVSSYSA-N 2 0 277.231 2.728 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000336714871 380606154 /nfs/dbraw/zinc/60/61/54/380606154.db2.gz WKPCKQHTENAROP-NXEZZACHSA-N 2 0 271.202 2.695 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000336716897 380608510 /nfs/dbraw/zinc/60/85/10/380608510.db2.gz QBLUGFJILBWQAC-KRWDZBQOSA-N 2 0 276.424 2.667 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C)c3ccccc32)CC[N@@H+]1C ZINC000180017912 380608995 /nfs/dbraw/zinc/60/89/95/380608995.db2.gz IYNWGKCJQIOQTK-PMPSAXMXSA-N 2 0 287.451 2.682 20 0 CFADRP COC(C)(C)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336783624 380628856 /nfs/dbraw/zinc/62/88/56/380628856.db2.gz COJLHWMPDZYJEM-CQSZACIVSA-N 2 0 256.434 2.608 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336819260 380683968 /nfs/dbraw/zinc/68/39/68/380683968.db2.gz ZBUGZHHJICSOGX-KBPBESRZSA-N 2 0 264.413 2.733 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccccc1 ZINC000180891537 380710153 /nfs/dbraw/zinc/71/01/53/380710153.db2.gz GKGOVWIZTYJEOE-ZNMIVQPWSA-N 2 0 262.397 2.526 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCOC2)C1 ZINC000336819873 380685202 /nfs/dbraw/zinc/68/52/02/380685202.db2.gz AXANCOSXXDLEGY-BRWVUGGUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)C[C@H]1C ZINC000336804328 380660938 /nfs/dbraw/zinc/66/09/38/380660938.db2.gz ZKQGMKLMFFVXFN-QLFBSQMISA-N 2 0 268.445 2.749 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181483320 380803767 /nfs/dbraw/zinc/80/37/67/380803767.db2.gz RGTNETGRDVAVNL-ZBFHGGJFSA-N 2 0 276.424 2.700 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000341171003 380814292 /nfs/dbraw/zinc/81/42/92/380814292.db2.gz LABCPSBPJBPOFM-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP Cc1nc2ccccc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341179722 380817954 /nfs/dbraw/zinc/81/79/54/380817954.db2.gz XYQLGJJPFRKQNC-UHFFFAOYSA-N 2 0 298.434 2.712 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000341184466 380821811 /nfs/dbraw/zinc/82/18/11/380821811.db2.gz JFHHGCQXGFMOGP-INMHGKMJSA-N 2 0 290.455 2.611 20 0 CFADRP C[N@H+](CCC[NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC000400568253 380864820 /nfs/dbraw/zinc/86/48/20/380864820.db2.gz OXPTYDIYWLIQHB-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1F ZINC000400961784 380866792 /nfs/dbraw/zinc/86/67/92/380866792.db2.gz BXPTWMBIQHBIIX-IGQOVBAYSA-N 2 0 262.372 2.864 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000400944680 380867641 /nfs/dbraw/zinc/86/76/41/380867641.db2.gz AIYACOQSJQOPOE-ATVPRXPUSA-N 2 0 262.372 2.864 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000347003954 380869055 /nfs/dbraw/zinc/86/90/55/380869055.db2.gz AFGITVCWHUEHLM-WMLDXEAASA-N 2 0 276.424 2.891 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401030872 380869540 /nfs/dbraw/zinc/86/95/40/380869540.db2.gz WSEHYINEBQDBEW-QCEMKRCNSA-N 2 0 274.408 2.734 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000181569625 380831070 /nfs/dbraw/zinc/83/10/70/380831070.db2.gz FRNSHNACUWQQGC-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000346980649 380841880 /nfs/dbraw/zinc/84/18/80/380841880.db2.gz MHAJRCNFMOFNLC-FUHWJXTLSA-N 2 0 287.451 2.587 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346982176 380844840 /nfs/dbraw/zinc/84/48/40/380844840.db2.gz NKTAJBYZQONZTC-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCOC1CCC1)CC2)C1CC1 ZINC000367877471 380845202 /nfs/dbraw/zinc/84/52/02/380845202.db2.gz ZKSLCWVFLULONG-HNNXBMFYSA-N 2 0 292.467 2.752 20 0 CFADRP Cc1scc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000399984673 380851122 /nfs/dbraw/zinc/85/11/22/380851122.db2.gz JCUWCBAQGPJDBR-ZDUSSCGKSA-N 2 0 252.427 2.796 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000181645742 380851916 /nfs/dbraw/zinc/85/19/16/380851916.db2.gz KNJRJMYBDNGLST-USXIJHARSA-N 2 0 288.435 2.573 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000358456187 380856989 /nfs/dbraw/zinc/85/69/89/380856989.db2.gz AWHKYMWEWCWILM-NBOOPKSLSA-N 2 0 293.499 2.569 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400426599 380858753 /nfs/dbraw/zinc/85/87/53/380858753.db2.gz YVYLEYWMAWNYEL-YJBOKZPZSA-N 2 0 289.467 2.759 20 0 CFADRP Fc1ccc(CC[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000346995501 380859235 /nfs/dbraw/zinc/85/92/35/380859235.db2.gz VZBJUSZZWIBDOD-OAHLLOKOSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400443342 380861216 /nfs/dbraw/zinc/86/12/16/380861216.db2.gz MZCVBPUDEPQVQF-INMHGKMJSA-N 2 0 276.424 2.712 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000181739893 380881726 /nfs/dbraw/zinc/88/17/26/380881726.db2.gz TVLSUKBNSBUQRX-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000347027981 380890711 /nfs/dbraw/zinc/89/07/11/380890711.db2.gz VMHFUMSDNXDOBU-HNNXBMFYSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347090429 380931126 /nfs/dbraw/zinc/93/11/26/380931126.db2.gz GCANYRRHGNRKNH-AAEUAGOBSA-N 2 0 284.350 2.847 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000341297337 380911921 /nfs/dbraw/zinc/91/19/21/380911921.db2.gz ZYGGYGDOXUUAPP-ZDUSSCGKSA-N 2 0 262.397 2.675 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(Cc2cnc3ccc(C)cn23)C[C@@H]1C ZINC000353876890 380921255 /nfs/dbraw/zinc/92/12/55/380921255.db2.gz NZWARKSPKMIYGF-LSDHHAIUSA-N 2 0 286.423 2.557 20 0 CFADRP CC(C)(C)OC(=O)CCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181903966 380932453 /nfs/dbraw/zinc/93/24/53/380932453.db2.gz GQNQYLCWFUUWSO-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(O)c2)CC1 ZINC000341339510 380946820 /nfs/dbraw/zinc/94/68/20/380946820.db2.gz BYBUHLDXQDRGJL-AWEZNQCLSA-N 2 0 276.424 2.786 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000368447893 381028153 /nfs/dbraw/zinc/02/81/53/381028153.db2.gz WGJYDLNMOYWAHK-RSJGLCBASA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368451776 381030056 /nfs/dbraw/zinc/03/00/56/381030056.db2.gz VIORBEYZSUDQPK-LTIDMASMSA-N 2 0 282.472 2.758 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000353985791 381000597 /nfs/dbraw/zinc/00/05/97/381000597.db2.gz FEHLUZSXRPBGBU-WOPDTQHZSA-N 2 0 276.346 2.791 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000347285852 381047204 /nfs/dbraw/zinc/04/72/04/381047204.db2.gz DSNAJDBQLWBJNU-STQMWFEESA-N 2 0 252.377 2.859 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000358743264 381049548 /nfs/dbraw/zinc/04/95/48/381049548.db2.gz CANJSAKFKFAFKJ-GOEBONIOSA-N 2 0 292.471 2.754 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000295748713 381051584 /nfs/dbraw/zinc/05/15/84/381051584.db2.gz QLXYKSMCSZBKPK-UHFFFAOYSA-N 2 0 290.451 2.736 20 0 CFADRP CCN(CC[C@H]1CCC[N@@H+]1C)CC[NH+]1CCCCCC1 ZINC000347295411 381054544 /nfs/dbraw/zinc/05/45/44/381054544.db2.gz SRIJWYKVRGZEID-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000368530519 381056998 /nfs/dbraw/zinc/05/69/98/381056998.db2.gz NBBIVUGJTWMODC-IAGOWNOFSA-N 2 0 290.476 2.994 20 0 CFADRP c1ccc(C2CC([NH2+]C3CC[NH+](CC4CC4)CC3)C2)nc1 ZINC000368567182 381068704 /nfs/dbraw/zinc/06/87/04/381068704.db2.gz LNBPNWUJGOFUON-UHFFFAOYSA-N 2 0 285.435 2.792 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368485689 381038683 /nfs/dbraw/zinc/03/86/83/381038683.db2.gz JSYITDFGMDMAKQ-ZWKOTPCHSA-N 2 0 287.451 2.820 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2occc2C)C1 ZINC000354106233 381083803 /nfs/dbraw/zinc/08/38/03/381083803.db2.gz IDUKFGXUIMQTHJ-OAHLLOKOSA-N 2 0 280.412 2.521 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000354108411 381085424 /nfs/dbraw/zinc/08/54/24/381085424.db2.gz VNGDXHPRHQVPTQ-QGZVFWFLSA-N 2 0 294.414 2.758 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCC(C)(C)C3)C2)CC1 ZINC000368650413 381097080 /nfs/dbraw/zinc/09/70/80/381097080.db2.gz PWFXPGZLUUUSLR-IRXDYDNUSA-N 2 0 293.499 2.665 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000347362390 381097923 /nfs/dbraw/zinc/09/79/23/381097923.db2.gz XTJJUAYXJYYKNS-MZBWOGCUSA-N 2 0 282.472 2.898 20 0 CFADRP Cc1[nH+]ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1Cl ZINC000354138004 381101794 /nfs/dbraw/zinc/10/17/94/381101794.db2.gz OZOWPDYLYDCXTC-NEPJUHHUSA-N 2 0 267.804 2.750 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)CN1C1CC1 ZINC000368719924 381117432 /nfs/dbraw/zinc/11/74/32/381117432.db2.gz TVIOIJLWFLOALY-INMHGKMJSA-N 2 0 299.462 2.510 20 0 CFADRP CN(CCOCC1CCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000341676270 381165221 /nfs/dbraw/zinc/16/52/21/381165221.db2.gz PMYPZPKRSGJBIB-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(C)CC2)[C@@H](C)C1 ZINC000359000377 381204865 /nfs/dbraw/zinc/20/48/65/381204865.db2.gz HOZRJBQZGMPIOW-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000359002450 381206761 /nfs/dbraw/zinc/20/67/61/381206761.db2.gz OWBUZQQIHUPMBT-QSFKDOLUSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000183073533 381207311 /nfs/dbraw/zinc/20/73/11/381207311.db2.gz MVLFECKHZSUVPN-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000296091472 381251590 /nfs/dbraw/zinc/25/15/90/381251590.db2.gz RGLHFHFVOMMASI-LBPRGKRZSA-N 2 0 297.358 2.953 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369420395 381255423 /nfs/dbraw/zinc/25/54/23/381255423.db2.gz UTDASMRIVWPTAG-KZNAEPCWSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000342308546 381266914 /nfs/dbraw/zinc/26/69/14/381266914.db2.gz HNDVERGTXMTADX-KBPBESRZSA-N 2 0 274.343 2.556 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1C(C)(C)C1(C)C ZINC000354353454 381221283 /nfs/dbraw/zinc/22/12/83/381221283.db2.gz UQAPUUUJVAJDCO-LSDHHAIUSA-N 2 0 295.515 2.530 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1ccsc1 ZINC000296129251 381268793 /nfs/dbraw/zinc/26/87/93/381268793.db2.gz VQIYSQVIOCPFRO-MRXNPFEDSA-N 2 0 295.496 2.816 20 0 CFADRP CC(C)Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000183157865 381224430 /nfs/dbraw/zinc/22/44/30/381224430.db2.gz AOEXDSLMPSSRRM-UHFFFAOYSA-N 2 0 292.471 2.703 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000359038225 381227341 /nfs/dbraw/zinc/22/73/41/381227341.db2.gz RCRKECDZBZLTCI-NXHRZFHOSA-N 2 0 290.451 2.564 20 0 CFADRP OCC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000183231882 381238696 /nfs/dbraw/zinc/23/86/96/381238696.db2.gz SDSJKHKJTNZPOI-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000342275822 381240600 /nfs/dbraw/zinc/24/06/00/381240600.db2.gz SPICMKFWXNQZFX-UHFFFAOYSA-N 2 0 291.370 2.741 20 0 CFADRP Cc1cc(C)c(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000412403723 381287833 /nfs/dbraw/zinc/28/78/33/381287833.db2.gz OZSZXKQAGRIPFX-INIZCTEOSA-N 2 0 289.423 2.579 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3c(C)cccc3C2)[C@@H](C)C1 ZINC000290097528 381297049 /nfs/dbraw/zinc/29/70/49/381297049.db2.gz HTPSNOBSUFPZHF-XIRDDKMYSA-N 2 0 288.435 2.618 20 0 CFADRP CC(C)COC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359225363 381298053 /nfs/dbraw/zinc/29/80/53/381298053.db2.gz SKEZYFSBMIONQP-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CCCC[C@H](CC)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000183645588 381301245 /nfs/dbraw/zinc/30/12/45/381301245.db2.gz GAWCSSHGJDCCOF-KRWDZBQOSA-N 2 0 283.504 2.772 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2C(C)C)CC1 ZINC000354452078 381277782 /nfs/dbraw/zinc/27/77/82/381277782.db2.gz BRFMNKQYRYJFCL-UHFFFAOYSA-N 2 0 278.444 2.676 20 0 CFADRP COc1ccc(CC[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000354451672 381278052 /nfs/dbraw/zinc/27/80/52/381278052.db2.gz GRNNXJBBBTZLJW-UHFFFAOYSA-N 2 0 276.424 2.511 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCOC1 ZINC000354460182 381284981 /nfs/dbraw/zinc/28/49/81/381284981.db2.gz KXMVQLBBMWXUIV-QZWWFDLISA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000296261246 381325119 /nfs/dbraw/zinc/32/51/19/381325119.db2.gz DIXSZEZSVHPKGA-AWEZNQCLSA-N 2 0 261.413 2.602 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1C(C)(C)C1(C)C ZINC000354535829 381327087 /nfs/dbraw/zinc/32/70/87/381327087.db2.gz CTNKHHIVUXQYSG-CQSZACIVSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000290178816 381332227 /nfs/dbraw/zinc/33/22/27/381332227.db2.gz NILJSFOHNXPRME-XJNFMUPTSA-N 2 0 288.435 2.617 20 0 CFADRP CCC(=O)CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347760506 381335691 /nfs/dbraw/zinc/33/56/91/381335691.db2.gz UJPGFOJEQBIXGU-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)OCCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359305946 381338312 /nfs/dbraw/zinc/33/83/12/381338312.db2.gz MCINSJPKGHYBEL-UHFFFAOYSA-N 2 0 264.413 2.653 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000290135762 381315208 /nfs/dbraw/zinc/31/52/08/381315208.db2.gz VJCNTERKTYJUBO-IBGZPJMESA-N 2 0 296.414 2.914 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000369702600 381317448 /nfs/dbraw/zinc/31/74/48/381317448.db2.gz JLNLZHJJRPOXDD-AWEZNQCLSA-N 2 0 268.470 2.547 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000359318534 381346963 /nfs/dbraw/zinc/34/69/63/381346963.db2.gz YQPYCQHIKIJIGS-MGPQQGTHSA-N 2 0 266.454 2.917 20 0 CFADRP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369964502 381356116 /nfs/dbraw/zinc/35/61/16/381356116.db2.gz UJCHPJRQOUWTPK-BBROLEBSSA-N 2 0 280.456 2.822 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000359334966 381358598 /nfs/dbraw/zinc/35/85/98/381358598.db2.gz SYZCKNWZDSZXRD-KBPBESRZSA-N 2 0 264.438 2.815 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2sccc2C)[C@H](C)C1 ZINC000359337795 381360196 /nfs/dbraw/zinc/36/01/96/381360196.db2.gz IETFHXXZOKVTAQ-KGLIPLIRSA-N 2 0 266.454 2.919 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2sccc2C)[C@@H](C)C1 ZINC000359337792 381360404 /nfs/dbraw/zinc/36/04/04/381360404.db2.gz IETFHXXZOKVTAQ-KBPBESRZSA-N 2 0 266.454 2.919 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2sccc2C)[C@@H](C)C1 ZINC000359337797 381360788 /nfs/dbraw/zinc/36/07/88/381360788.db2.gz IETFHXXZOKVTAQ-UONOGXRCSA-N 2 0 266.454 2.919 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000290305676 381375230 /nfs/dbraw/zinc/37/52/30/381375230.db2.gz BSMDXTXNHCQWMR-ZWKOTPCHSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000184374149 381406444 /nfs/dbraw/zinc/40/64/44/381406444.db2.gz DNCKWJOABVUHDQ-WBVHZDCISA-N 2 0 288.435 2.574 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1C ZINC000290390496 381410309 /nfs/dbraw/zinc/41/03/09/381410309.db2.gz ISLLPTXSYYTURK-SJORKVTESA-N 2 0 288.435 2.920 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCCC2CCCCC2)CC1 ZINC000347915075 381411538 /nfs/dbraw/zinc/41/15/38/381411538.db2.gz AEHBRIIIDAHKKB-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP C[N@H+](CC[C@H]1CCCO1)Cc1ccc(-n2ccnc2)cc1 ZINC000342584820 381413927 /nfs/dbraw/zinc/41/39/27/381413927.db2.gz IIEWZJPHNGNWFG-QGZVFWFLSA-N 2 0 285.391 2.873 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@H](O)c2ccccc2)CC1 ZINC000290344102 381391877 /nfs/dbraw/zinc/39/18/77/381391877.db2.gz PREVHQHZCMAOSP-SFHVURJKSA-N 2 0 290.451 2.915 20 0 CFADRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370159439 381395649 /nfs/dbraw/zinc/39/56/49/381395649.db2.gz CLMIANCXLULXIO-GXTWGEPZSA-N 2 0 294.468 2.655 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(C)(C)O)C1 ZINC000370167880 381397782 /nfs/dbraw/zinc/39/77/82/381397782.db2.gz WDRWXUWQOCMYOU-JKSUJKDBSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000342594171 381420795 /nfs/dbraw/zinc/42/07/95/381420795.db2.gz KLJYVKIPUVYAJE-HNNXBMFYSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccsc1 ZINC000296510277 381426290 /nfs/dbraw/zinc/42/62/90/381426290.db2.gz QMHJIZXKJAUSJC-GOEBONIOSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000347952411 381430539 /nfs/dbraw/zinc/43/05/39/381430539.db2.gz DKXPESOXKRPMJU-ZOBUZTSGSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]CCC[NH+](C)C)C1CC1 ZINC000342624294 381440316 /nfs/dbraw/zinc/44/03/16/381440316.db2.gz IGORHOXZXQCXCK-QGZVFWFLSA-N 2 0 260.425 2.857 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2cc(F)ncc2F)CC1 ZINC000296550623 381445254 /nfs/dbraw/zinc/44/52/54/381445254.db2.gz UMTJQHVEJZVHRV-UHFFFAOYSA-N 2 0 297.393 2.962 20 0 CFADRP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370628699 381479469 /nfs/dbraw/zinc/47/94/69/381479469.db2.gz LHLRFMXUGVKJQX-NVXWUHKLSA-N 2 0 275.440 2.928 20 0 CFADRP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348287938 381480806 /nfs/dbraw/zinc/48/08/06/381480806.db2.gz IROIFSUJPORONB-SOLBZPMBSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000296569812 381454022 /nfs/dbraw/zinc/45/40/22/381454022.db2.gz SVQUELSIVIRKHZ-ILXRZTDVSA-N 2 0 275.440 2.678 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184655646 381454230 /nfs/dbraw/zinc/45/42/30/381454230.db2.gz OPYPOHRHESUYIZ-HNNXBMFYSA-N 2 0 268.445 2.750 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000370494704 381458018 /nfs/dbraw/zinc/45/80/18/381458018.db2.gz IVWTVRPSGBWPJM-SFHVURJKSA-N 3 0 293.499 2.857 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000290507631 381458106 /nfs/dbraw/zinc/45/81/06/381458106.db2.gz PKDCJGNRHZUHQQ-YJBOKZPZSA-N 2 0 298.434 2.644 20 0 CFADRP CCSCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348328676 381510342 /nfs/dbraw/zinc/51/03/42/381510342.db2.gz VISFZHASVNAXJE-IRXDYDNUSA-N 2 0 290.476 2.803 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1Cl ZINC000342702142 381487283 /nfs/dbraw/zinc/48/72/83/381487283.db2.gz TZMYDOPPYZKJOC-NSHDSACASA-N 2 0 297.830 2.736 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000342705510 381491576 /nfs/dbraw/zinc/49/15/76/381491576.db2.gz HYHUHDOWWIIFNT-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000414315218 381580169 /nfs/dbraw/zinc/58/01/69/381580169.db2.gz RQUIMRBHULKTKP-AKZYDZMLSA-N 2 0 268.445 2.510 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(C)c1 ZINC000414071359 381559831 /nfs/dbraw/zinc/55/98/31/381559831.db2.gz KNMJAZOMFXTUAE-ZIAGYGMSSA-N 2 0 264.413 2.994 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000297514048 381565321 /nfs/dbraw/zinc/56/53/21/381565321.db2.gz WCEYOLZNNCEXOE-CQSZACIVSA-N 2 0 299.422 2.618 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3occc32)C1 ZINC000414170696 381566921 /nfs/dbraw/zinc/56/69/21/381566921.db2.gz CDZHBMWFNNUBSV-HIFRSBDPSA-N 2 0 262.397 2.979 20 0 CFADRP C[N@H+](C1CCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000371208764 381567355 /nfs/dbraw/zinc/56/73/55/381567355.db2.gz QMJQICACYASPSB-UHFFFAOYSA-N 2 0 266.429 2.504 20 0 CFADRP Cc1cc([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)[nH]n1 ZINC000371212190 381569189 /nfs/dbraw/zinc/56/91/89/381569189.db2.gz HRPCKXMMDHUZNL-CVEARBPZSA-N 2 0 290.455 2.772 20 0 CFADRP Cc1cc([C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)[nH]n1 ZINC000371212193 381569426 /nfs/dbraw/zinc/56/94/26/381569426.db2.gz HRPCKXMMDHUZNL-JKSUJKDBSA-N 2 0 290.455 2.772 20 0 CFADRP CCO[C@H]1C[C@H](N(C)CC[NH2+]C(C)(C)C)C1(C)C ZINC000414703579 381599410 /nfs/dbraw/zinc/59/94/10/381599410.db2.gz MFTMXFGBGYTABN-STQMWFEESA-N 2 0 256.434 2.510 20 0 CFADRP CCS[C@@H]1CC[C@H](N(C)CC[NH2+]C(C)(C)C)C1 ZINC000414707993 381600029 /nfs/dbraw/zinc/60/00/29/381600029.db2.gz OGJAGHWJNNCRCZ-QWHCGFSZSA-N 2 0 258.475 2.981 20 0 CFADRP CS[C@@H]1CN(c2cc[nH+]c(C)c2Cl)C[C@@H]1[NH+](C)C ZINC000355086423 381604963 /nfs/dbraw/zinc/60/49/63/381604963.db2.gz DCZLFZDYUCZKDK-NWDGAFQWSA-N 2 0 285.844 2.525 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC1CCCC1 ZINC000371295113 381584534 /nfs/dbraw/zinc/58/45/34/381584534.db2.gz OVTNKNIRDAPYNJ-BRWVUGGUSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414883436 381610056 /nfs/dbraw/zinc/61/00/56/381610056.db2.gz UWUBZKFYROXIGL-GHMZBOCLSA-N 2 0 274.330 2.993 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000414924786 381614152 /nfs/dbraw/zinc/61/41/52/381614152.db2.gz KUMYUWKNFWIKGR-VXGBXAGGSA-N 2 0 288.313 2.945 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414928503 381617499 /nfs/dbraw/zinc/61/74/99/381617499.db2.gz NIUIVJHABAWOFS-SOUVJXGZSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1-c1ccccc1 ZINC000414931321 381621897 /nfs/dbraw/zinc/62/18/97/381621897.db2.gz ULPRYYBKPFIBLQ-LSDHHAIUSA-N 2 0 284.407 2.540 20 0 CFADRP COCCCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371419700 381623735 /nfs/dbraw/zinc/62/37/35/381623735.db2.gz WEVUKFVLCMDAFH-HNNXBMFYSA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000414934037 381623972 /nfs/dbraw/zinc/62/39/72/381623972.db2.gz AEIQBIBBVFLYSR-UKRRQHHQSA-N 2 0 294.439 2.613 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000185403815 381624779 /nfs/dbraw/zinc/62/47/79/381624779.db2.gz NZKLTWVEDXLOMN-GDBMZVCRSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414936033 381626997 /nfs/dbraw/zinc/62/69/97/381626997.db2.gz GMQHNPGMPYBVQR-BZPMIXESSA-N 2 0 252.427 2.657 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414936361 381627551 /nfs/dbraw/zinc/62/75/51/381627551.db2.gz ZGASAXABZZKDKC-NUEKZKHPSA-N 2 0 276.424 2.876 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414944020 381634054 /nfs/dbraw/zinc/63/40/54/381634054.db2.gz OVVWDTOIYXCZMC-NRSFXHEJSA-N 2 0 272.436 2.985 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000414943957 381634090 /nfs/dbraw/zinc/63/40/90/381634090.db2.gz OQPWMTROWIINRO-UHFFFAOYSA-N 2 0 262.397 2.706 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCCOc2ccccc2)CC[NH2+]1 ZINC000414945658 381635815 /nfs/dbraw/zinc/63/58/15/381635815.db2.gz IOUKAFBTRBKWJS-HOTGVXAUSA-N 2 0 276.424 2.966 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000414944647 381636515 /nfs/dbraw/zinc/63/65/15/381636515.db2.gz HGFVQHJUNMSSKY-GZBFAFLISA-N 2 0 294.414 2.743 20 0 CFADRP COCCC[C@H](C)[NH2+]Cc1cccc(-c2nccn2C)c1 ZINC000371446408 381630681 /nfs/dbraw/zinc/63/06/81/381630681.db2.gz DCVCHKMJEPBTKK-AWEZNQCLSA-N 2 0 287.407 2.992 20 0 CFADRP COC[C@@]1(C[NH2+]C[C@@H](C)CCc2ccccc2)CCC[NH2+]1 ZINC000414943168 381633534 /nfs/dbraw/zinc/63/35/34/381633534.db2.gz LPNZDEDADRNOOK-WMZOPIPTSA-N 2 0 290.451 2.614 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414956213 381649417 /nfs/dbraw/zinc/64/94/17/381649417.db2.gz UZQIWYWNHAWGPG-HOCLYGCPSA-N 2 0 276.424 2.952 20 0 CFADRP COc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1SC ZINC000414946652 381638605 /nfs/dbraw/zinc/63/86/05/381638605.db2.gz UPGJLKDXKDMVLD-UHFFFAOYSA-N 2 0 280.437 2.649 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(O)cc(F)c2)c1 ZINC000185457153 381638649 /nfs/dbraw/zinc/63/86/49/381638649.db2.gz KMRNZHBDCWUMIO-UHFFFAOYSA-N 2 0 288.366 2.883 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)CC[NH2+]1 ZINC000414949580 381640612 /nfs/dbraw/zinc/64/06/12/381640612.db2.gz NTBGOIHFAJXIKV-RDTXWAMCSA-N 2 0 281.403 2.979 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414950338 381641396 /nfs/dbraw/zinc/64/13/96/381641396.db2.gz OLMCRSWYGURBPV-BFYDXBDKSA-N 2 0 260.425 2.985 20 0 CFADRP CC[C@H](C[NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414948838 381641649 /nfs/dbraw/zinc/64/16/49/381641649.db2.gz YGPWFXVBUIKMBR-NVXWUHKLSA-N 2 0 276.424 2.538 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414952118 381642953 /nfs/dbraw/zinc/64/29/53/381642953.db2.gz QNBDIBWALBKVNM-CZUORRHYSA-N 2 0 284.407 2.615 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414951178 381643517 /nfs/dbraw/zinc/64/35/17/381643517.db2.gz HCDHSUXWCFEOBS-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)CC[NH2+]1 ZINC000414952923 381644817 /nfs/dbraw/zinc/64/48/17/381644817.db2.gz RFISIOFWFPCPGV-AAEUAGOBSA-N 2 0 284.350 2.561 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)CC[NH2+]1 ZINC000414952929 381644951 /nfs/dbraw/zinc/64/49/51/381644951.db2.gz RFISIOFWFPCPGV-WCQYABFASA-N 2 0 284.350 2.561 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414962577 381657912 /nfs/dbraw/zinc/65/79/12/381657912.db2.gz WJFJTADWHOETQD-ROUUACIJSA-N 2 0 290.451 2.674 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414962929 381658058 /nfs/dbraw/zinc/65/80/58/381658058.db2.gz TUATXRZUXBSUEJ-CZUORRHYSA-N 2 0 262.397 2.563 20 0 CFADRP c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000359882905 381658372 /nfs/dbraw/zinc/65/83/72/381658372.db2.gz WHABYONDKKVAMY-UHFFFAOYSA-N 2 0 294.464 2.682 20 0 CFADRP CCn1nc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000414964493 381660248 /nfs/dbraw/zinc/66/02/48/381660248.db2.gz MHMGZBZEHVYRJE-AWEZNQCLSA-N 2 0 286.423 2.678 20 0 CFADRP FC(F)Oc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414963936 381660722 /nfs/dbraw/zinc/66/07/22/381660722.db2.gz DNEVKCWLSZXZCY-ZDUSSCGKSA-N 2 0 284.350 2.910 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414966313 381662375 /nfs/dbraw/zinc/66/23/75/381662375.db2.gz WGDBNBZCCXHIGG-RHSMWYFYSA-N 2 0 281.403 2.836 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414965264 381662613 /nfs/dbraw/zinc/66/26/13/381662613.db2.gz FGNBFMURMCBENE-BWPKMQGJSA-N 2 0 280.362 2.956 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000414967137 381664634 /nfs/dbraw/zinc/66/46/34/381664634.db2.gz POOBAZPIQLLBEV-JKSUJKDBSA-N 2 0 288.435 2.674 20 0 CFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414968848 381666327 /nfs/dbraw/zinc/66/63/27/381666327.db2.gz FSCGOOWYMZAPPS-HOTGVXAUSA-N 2 0 282.472 2.951 20 0 CFADRP CCC[NH+]1CCC([NH2+]Cc2cc(C)cc(N)c2)CC1 ZINC000414971554 381667891 /nfs/dbraw/zinc/66/78/91/381667891.db2.gz WJZRFEVJIIHYLJ-UHFFFAOYSA-N 2 0 261.413 2.541 20 0 CFADRP c1cnc2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2c1 ZINC000414976774 381671416 /nfs/dbraw/zinc/67/14/16/381671416.db2.gz QGHHJMCDNAVAFH-MRXNPFEDSA-N 2 0 269.392 2.857 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCC2CCCC2)CCC[NH2+]1 ZINC000414959532 381653874 /nfs/dbraw/zinc/65/38/74/381653874.db2.gz SJCUZAROPBTUMC-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cn1 ZINC000414959948 381653990 /nfs/dbraw/zinc/65/39/90/381653990.db2.gz GFAUJAJIJGICRO-INIZCTEOSA-N 2 0 290.455 2.548 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014372 381708399 /nfs/dbraw/zinc/70/83/99/381708399.db2.gz WWLROSKHXAUPPL-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415014250 381708458 /nfs/dbraw/zinc/70/84/58/381708458.db2.gz LYEALQUKSSAMHK-GFCCVEGCSA-N 2 0 252.377 2.995 20 0 CFADRP Cc1ncc(C[NH2+][C@@H](C)CCCC[NH3+])n1-c1ccccc1 ZINC000415015509 381710078 /nfs/dbraw/zinc/71/00/78/381710078.db2.gz OCDMOHDSEFFAQP-AWEZNQCLSA-N 2 0 286.423 2.788 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000415018030 381711413 /nfs/dbraw/zinc/71/14/13/381711413.db2.gz GEEWXKGKUOZJMB-STQMWFEESA-N 2 0 274.412 2.601 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000415018025 381711596 /nfs/dbraw/zinc/71/15/96/381711596.db2.gz GEEWXKGKUOZJMB-CHWSQXEVSA-N 2 0 274.412 2.601 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000415017473 381712141 /nfs/dbraw/zinc/71/21/41/381712141.db2.gz FOMUZHMHJMPYEK-MRXNPFEDSA-N 3 0 291.483 2.862 20 0 CFADRP COc1cc2c(cc1C[NH2+][C@@H](C)CCCC[NH3+])O[C@H](C)C2 ZINC000415019409 381713270 /nfs/dbraw/zinc/71/32/70/381713270.db2.gz VSKVXRCCXPBBTC-QWHCGFSZSA-N 2 0 292.423 2.626 20 0 CFADRP CCN(CC)c1ncc(C[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000415018585 381713808 /nfs/dbraw/zinc/71/38/08/381713808.db2.gz UNAZDKJGJXWMRO-GFCCVEGCSA-N 2 0 284.473 2.596 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000415020132 381714981 /nfs/dbraw/zinc/71/49/81/381714981.db2.gz JFSOKICHHZTOQX-SNVBAGLBSA-N 2 0 276.302 2.802 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc3c(c2)CCCN3)CC1 ZINC000414982118 381676711 /nfs/dbraw/zinc/67/67/11/381676711.db2.gz RJRHRJORNZXBNQ-UHFFFAOYSA-N 2 0 273.424 2.652 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000355213457 381682263 /nfs/dbraw/zinc/68/22/63/381682263.db2.gz FXCRTMJXSCVVLB-AWEZNQCLSA-N 2 0 297.487 2.534 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414989054 381682974 /nfs/dbraw/zinc/68/29/74/381682974.db2.gz GMUAJOYZNDDFSI-HUUCEWRRSA-N 2 0 262.397 2.692 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414989055 381683398 /nfs/dbraw/zinc/68/33/98/381683398.db2.gz GMUAJOYZNDDFSI-LSDHHAIUSA-N 2 0 262.397 2.692 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414991860 381685758 /nfs/dbraw/zinc/68/57/58/381685758.db2.gz JZOMAAQANKVRBG-WBVHZDCISA-N 2 0 298.434 2.788 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)CC1CCOCC1 ZINC000415022988 381716607 /nfs/dbraw/zinc/71/66/07/381716607.db2.gz JZQMWUWOKOENNT-XIRDDKMYSA-N 2 0 282.472 2.794 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000414997769 381688930 /nfs/dbraw/zinc/68/89/30/381688930.db2.gz PYKBSIOQENYIIN-CJNGLKHVSA-N 2 0 269.392 2.842 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C ZINC000414996168 381689400 /nfs/dbraw/zinc/68/94/00/381689400.db2.gz GFJDLHGVIXZQOQ-UKRRQHHQSA-N 2 0 262.397 2.611 20 0 CFADRP Clc1sccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000192 381691685 /nfs/dbraw/zinc/69/16/85/381691685.db2.gz AJKKFEBQLXMHQV-NWDGAFQWSA-N 2 0 270.829 2.879 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415001549 381692379 /nfs/dbraw/zinc/69/23/79/381692379.db2.gz CNABJIOSOHJCKC-UONOGXRCSA-N 2 0 279.453 2.744 20 0 CFADRP C[N@H+](CCCc1cccc(F)c1)CC(C)(C)C[NH3+] ZINC000348746550 381692983 /nfs/dbraw/zinc/69/29/83/381692983.db2.gz HKCUMUKOPBHOSW-UHFFFAOYSA-N 2 0 252.377 2.675 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415001519 381693137 /nfs/dbraw/zinc/69/31/37/381693137.db2.gz UXHMXHMEIMAUQW-YOEHRIQHSA-N 2 0 298.434 2.992 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000415001138 381693519 /nfs/dbraw/zinc/69/35/19/381693519.db2.gz KPRYOLCZMNVWRN-GXTWGEPZSA-N 2 0 280.387 2.832 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415001803 381694540 /nfs/dbraw/zinc/69/45/40/381694540.db2.gz LPQGKXQZQNOPRY-IVMMDQJWSA-N 2 0 264.388 2.864 20 0 CFADRP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415003356 381696173 /nfs/dbraw/zinc/69/61/73/381696173.db2.gz WZWDWPOMBSEHPZ-OCCSQVGLSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000415004641 381696717 /nfs/dbraw/zinc/69/67/17/381696717.db2.gz YKZZGZWANBUMLK-YPMHNXCESA-N 2 0 292.814 2.595 20 0 CFADRP CCC[NH+]1CCC(NCc2ccc(N(C)CC)nc2)CC1 ZINC000359957659 381698001 /nfs/dbraw/zinc/69/80/01/381698001.db2.gz ISICOBSNTXWTJH-UHFFFAOYSA-N 2 0 290.455 2.502 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000415005514 381698294 /nfs/dbraw/zinc/69/82/94/381698294.db2.gz PCGMCLWASUKXNX-KBRIMQKVSA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757960 381699218 /nfs/dbraw/zinc/69/92/18/381699218.db2.gz ZLMGBPZUOQYGAQ-ZFWWWQNUSA-N 2 0 264.388 2.818 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415005569 381699309 /nfs/dbraw/zinc/69/93/09/381699309.db2.gz ZMFWLJHGUGTWRK-DZGCQCFKSA-N 2 0 262.397 2.692 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(F)c1F ZINC000415008089 381700981 /nfs/dbraw/zinc/70/09/81/381700981.db2.gz MJAJZHZHFLZVHY-SMDDNHRTSA-N 2 0 284.325 2.582 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415007689 381701111 /nfs/dbraw/zinc/70/11/11/381701111.db2.gz BVZJVDMYMLUBMK-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000291189622 381701204 /nfs/dbraw/zinc/70/12/04/381701204.db2.gz LHNYULQVANBSKN-PBHICJAKSA-N 2 0 258.409 2.944 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)CCCC[NH3+])CC2 ZINC000415009211 381702195 /nfs/dbraw/zinc/70/21/95/381702195.db2.gz FBDJWZLDRQPPJM-CZUORRHYSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415041017 381727898 /nfs/dbraw/zinc/72/78/98/381727898.db2.gz PJULCKDKEKFGQG-JMSVASOKSA-N 2 0 250.361 2.646 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000415041441 381728549 /nfs/dbraw/zinc/72/85/49/381728549.db2.gz PWADOICVIGXEAZ-DTWKUNHWSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000415040204 381729259 /nfs/dbraw/zinc/72/92/59/381729259.db2.gz OQAMKSFOFBSWFK-CVEARBPZSA-N 2 0 276.424 2.953 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000415042427 381730978 /nfs/dbraw/zinc/73/09/78/381730978.db2.gz QUDBLZSORLNIGV-ZWNOBZJWSA-N 2 0 262.328 2.789 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000415042030 381731155 /nfs/dbraw/zinc/73/11/55/381731155.db2.gz QKCVCHSONMZNEP-QEJZJMRPSA-N 2 0 294.414 2.730 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415044226 381733516 /nfs/dbraw/zinc/73/35/16/381733516.db2.gz ARFYGQPZUXHWQY-DAXSKMNVSA-N 2 0 299.462 2.506 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000415048358 381735018 /nfs/dbraw/zinc/73/50/18/381735018.db2.gz WUUQXRAUSDXQSN-PWSUYJOCSA-N 2 0 288.313 2.802 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415051743 381736325 /nfs/dbraw/zinc/73/63/25/381736325.db2.gz ZPOJSZBWTHLGPQ-DGCLKSJQSA-N 2 0 250.361 2.605 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415051745 381736491 /nfs/dbraw/zinc/73/64/91/381736491.db2.gz ZPOJSZBWTHLGPQ-WCQYABFASA-N 2 0 250.361 2.605 20 0 CFADRP CC(C)COc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415073337 381758719 /nfs/dbraw/zinc/75/87/19/381758719.db2.gz YHQBUQOSTAAUKS-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415055655 381740354 /nfs/dbraw/zinc/74/03/54/381740354.db2.gz RIJYZGLGHCMGSR-ROUUACIJSA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415054037 381740445 /nfs/dbraw/zinc/74/04/45/381740445.db2.gz PLEFBKYWSILYIT-CHWSQXEVSA-N 2 0 280.437 2.721 20 0 CFADRP CCN1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415054485 381741379 /nfs/dbraw/zinc/74/13/79/381741379.db2.gz NNOYWUPPGZOIET-QGZVFWFLSA-N 2 0 275.440 2.541 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000415061133 381747092 /nfs/dbraw/zinc/74/70/92/381747092.db2.gz XZJZXKDMPXYEAC-OAHLLOKOSA-N 2 0 264.438 2.952 20 0 CFADRP Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(-c2cnn(C)c2)c1 ZINC000415065749 381751129 /nfs/dbraw/zinc/75/11/29/381751129.db2.gz HNOGZXFMNDNZIG-UHFFFAOYSA-N 2 0 298.434 2.627 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000415067092 381752935 /nfs/dbraw/zinc/75/29/35/381752935.db2.gz KBBLVAHFTGRTNG-CRAIPNDOSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000415067884 381752984 /nfs/dbraw/zinc/75/29/84/381752984.db2.gz LNCTZRABCQUOLQ-YJBOKZPZSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000415069944 381755465 /nfs/dbraw/zinc/75/54/65/381755465.db2.gz PREOHLWVDLOTKL-NXHRZFHOSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000415024649 381718230 /nfs/dbraw/zinc/71/82/30/381718230.db2.gz PHYYYPQUMCBFBA-AWEZNQCLSA-N 2 0 269.392 2.966 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000415027959 381720208 /nfs/dbraw/zinc/72/02/08/381720208.db2.gz XNJJWRJMLZAVRQ-GFCCVEGCSA-N 2 0 292.814 2.743 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415029957 381721603 /nfs/dbraw/zinc/72/16/03/381721603.db2.gz FHMHLDNZARIFFF-MNOVXSKESA-N 2 0 267.442 2.658 20 0 CFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000415029242 381721986 /nfs/dbraw/zinc/72/19/86/381721986.db2.gz ZZGAZRYRAHTQIF-KGLIPLIRSA-N 2 0 291.439 2.683 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415029958 381722098 /nfs/dbraw/zinc/72/20/98/381722098.db2.gz FHMHLDNZARIFFF-QWRGUYRKSA-N 2 0 267.442 2.658 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000415033187 381723194 /nfs/dbraw/zinc/72/31/94/381723194.db2.gz ITQFHHPYGCDEMU-BXKDBHETSA-N 2 0 256.752 2.696 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)s2)o1 ZINC000415032201 381723424 /nfs/dbraw/zinc/72/34/24/381723424.db2.gz HREGVFTYCNIDCZ-NWDGAFQWSA-N 2 0 291.420 2.929 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415035526 381724516 /nfs/dbraw/zinc/72/45/16/381724516.db2.gz KSOJVQGDJRDVJR-WDEREUQCSA-N 2 0 268.788 2.566 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415034192 381725001 /nfs/dbraw/zinc/72/50/01/381725001.db2.gz JPCIFZHVPACSBF-RISCZKNCSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000415035009 381725114 /nfs/dbraw/zinc/72/51/14/381725114.db2.gz KGKYHFKYSGRAKD-KSSFIOAISA-N 2 0 281.403 2.966 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415034190 381725378 /nfs/dbraw/zinc/72/53/78/381725378.db2.gz JPCIFZHVPACSBF-FZMZJTMJSA-N 2 0 297.240 2.975 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415107883 381785095 /nfs/dbraw/zinc/78/50/95/381785095.db2.gz PPSSRGHTFGVWDA-NEPJUHHUSA-N 2 0 282.815 2.826 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](CO)CC2CCCC2)CC1 ZINC000343543283 381786443 /nfs/dbraw/zinc/78/64/43/381786443.db2.gz XZPLTFVTBDELDD-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000415113074 381788640 /nfs/dbraw/zinc/78/86/40/381788640.db2.gz SJCOQNDVTYSURS-BFQNTYOBSA-N 2 0 262.372 2.791 20 0 CFADRP CCC[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000415117523 381790832 /nfs/dbraw/zinc/79/08/32/381790832.db2.gz ZMLQGLJZZZQBDX-SJORKVTESA-N 2 0 276.424 2.620 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000415122309 381792783 /nfs/dbraw/zinc/79/27/83/381792783.db2.gz IBUKPWOZPYGRSJ-AAEUAGOBSA-N 2 0 284.350 2.705 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415123372 381794653 /nfs/dbraw/zinc/79/46/53/381794653.db2.gz JKKVIZRVEAWXTR-CZUORRHYSA-N 2 0 276.424 2.674 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415129726 381797163 /nfs/dbraw/zinc/79/71/63/381797163.db2.gz PMUWMKYSIQPJHJ-UMVBOHGHSA-N 2 0 264.388 2.846 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1nccs1 ZINC000415129080 381797306 /nfs/dbraw/zinc/79/73/06/381797306.db2.gz YMKOBBAMVLNDGX-MCIGGMRASA-N 2 0 253.415 2.701 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)Oc1ccccc1C ZINC000415075407 381761726 /nfs/dbraw/zinc/76/17/26/381761726.db2.gz FDDYUWGKWLZKKB-JKSUJKDBSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CC[NH2+]1 ZINC000415078616 381762687 /nfs/dbraw/zinc/76/26/87/381762687.db2.gz GRRJCVCYXYJREZ-FPCVCCKLSA-N 2 0 282.472 2.805 20 0 CFADRP COc1cc(CC[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1C ZINC000415078940 381763640 /nfs/dbraw/zinc/76/36/40/381763640.db2.gz HIQSZGXAOITSFC-HOCLYGCPSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000415076349 381764110 /nfs/dbraw/zinc/76/41/10/381764110.db2.gz GGZNDPFDMVQMSC-FMKPAKJESA-N 2 0 258.409 2.694 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000415081434 381766037 /nfs/dbraw/zinc/76/60/37/381766037.db2.gz BWMSXEKJMWWJFF-DOTOQJQBSA-N 2 0 260.425 2.966 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1F ZINC000415082796 381767623 /nfs/dbraw/zinc/76/76/23/381767623.db2.gz OVWXFDCVDYBXQK-ZDUSSCGKSA-N 2 0 264.388 2.835 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1F ZINC000415082794 381768141 /nfs/dbraw/zinc/76/81/41/381768141.db2.gz OVWXFDCVDYBXQK-CYBMUJFWSA-N 2 0 264.388 2.835 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000415083296 381768378 /nfs/dbraw/zinc/76/83/78/381768378.db2.gz MWGGNTLFKGCWDY-WDEREUQCSA-N 2 0 272.845 2.922 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CCc2ccccc2Cl)CC[NH2+]1 ZINC000415084314 381769111 /nfs/dbraw/zinc/76/91/11/381769111.db2.gz GUVSOBXDBMHVSU-CHWSQXEVSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415084499 381769623 /nfs/dbraw/zinc/76/96/23/381769623.db2.gz RJQFIEKLNHYMAN-JHJVBQTASA-N 2 0 296.377 2.854 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000415085467 381770996 /nfs/dbraw/zinc/77/09/96/381770996.db2.gz QGFXANQQSIKEHP-HZPDHXFCSA-N 2 0 263.429 2.784 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415084942 381771739 /nfs/dbraw/zinc/77/17/39/381771739.db2.gz RZGQBIKSUXXILG-JYJNAYRXSA-N 2 0 276.424 2.883 20 0 CFADRP COc1cccc(CCC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415090064 381775818 /nfs/dbraw/zinc/77/58/18/381775818.db2.gz ZRYDUBCOPOWBNF-ZBFHGGJFSA-N 2 0 276.424 2.748 20 0 CFADRP Fc1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000415090914 381776581 /nfs/dbraw/zinc/77/65/81/381776581.db2.gz PQQUUBMMGIOCFN-LLVKDONJSA-N 2 0 270.779 2.611 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@]2(C)CC[NH2+]C2)n1 ZINC000415092348 381777111 /nfs/dbraw/zinc/77/71/11/381777111.db2.gz STDHHEPKPUATRQ-GOSISDBHSA-N 2 0 298.434 2.578 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000415091992 381777602 /nfs/dbraw/zinc/77/76/02/381777602.db2.gz RQHIACDITMTWFN-GXTWGEPZSA-N 2 0 280.387 2.702 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC000415095464 381779693 /nfs/dbraw/zinc/77/96/93/381779693.db2.gz ZTMCQWCWZKCRPH-UHFFFAOYSA-N 2 0 264.388 2.865 20 0 CFADRP CCc1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349191898 381844312 /nfs/dbraw/zinc/84/43/12/381844312.db2.gz OHOZNDCEKQMXPB-AWEZNQCLSA-N 2 0 293.480 2.869 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000361386418 381823870 /nfs/dbraw/zinc/82/38/70/381823870.db2.gz KDDFDKXAPMFBCX-IAGOWNOFSA-N 3 0 281.488 2.572 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000292806883 381844727 /nfs/dbraw/zinc/84/47/27/381844727.db2.gz ODGLRXCAEPSKIQ-KRWDZBQOSA-N 2 0 269.392 2.696 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)CC1=CCCOC1 ZINC000349128883 381829878 /nfs/dbraw/zinc/82/98/78/381829878.db2.gz LJUCVRGGWHAYHC-UHFFFAOYSA-N 2 0 277.412 2.504 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C/c3ccncc3)C2)CC1 ZINC000349181824 381840493 /nfs/dbraw/zinc/84/04/93/381840493.db2.gz FMRAXZUYLHEGNH-DCKQQPRJSA-N 2 0 285.435 2.759 20 0 CFADRP Cc1cc(N[C@H]2CCC[N@H+](C)[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000343613069 381842261 /nfs/dbraw/zinc/84/22/61/381842261.db2.gz WPYIQWRECCLTBK-WFASDCNBSA-N 2 0 287.382 2.999 20 0 CFADRP CC(C)CN1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000361543240 381842431 /nfs/dbraw/zinc/84/24/31/381842431.db2.gz LZDOHUGOOLTCNA-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415137234 381803765 /nfs/dbraw/zinc/80/37/65/381803765.db2.gz YBTQDXZOCIKLJA-TZMCWYRMSA-N 2 0 264.388 2.805 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000356875155 381878440 /nfs/dbraw/zinc/87/84/40/381878440.db2.gz YCHKQOBBERRPDQ-BXUZGUMPSA-N 2 0 284.350 2.718 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000356881247 381881287 /nfs/dbraw/zinc/88/12/87/381881287.db2.gz UTYMRKOISIHLMM-ZFWWWQNUSA-N 2 0 294.414 2.792 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000356882894 381882995 /nfs/dbraw/zinc/88/29/95/381882995.db2.gz VRFDOZPRDNXIHY-XOYOTBSWSA-N 2 0 288.435 2.522 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186194734 381849415 /nfs/dbraw/zinc/84/94/15/381849415.db2.gz XHCWUYRATFSUAC-UHFFFAOYSA-N 2 0 280.387 2.695 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000343627139 381852318 /nfs/dbraw/zinc/85/23/18/381852318.db2.gz VFQHTRUEPBGKAQ-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCc2ccc(OC)cc2)C1 ZINC000343649558 381867952 /nfs/dbraw/zinc/86/79/52/381867952.db2.gz YYRAIKNZIYZVSZ-PBHICJAKSA-N 2 0 276.424 2.558 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(c3ccnc4ccncc43)C2)C1 ZINC000292905606 381895413 /nfs/dbraw/zinc/89/54/13/381895413.db2.gz WZPJTYCBOXXAPG-KRWDZBQOSA-N 2 0 282.391 2.552 20 0 CFADRP CC[C@H]1C[C@@H](C[N@H+](C)C2CCN(CC)CC2)CCO1 ZINC000356934207 381912145 /nfs/dbraw/zinc/91/21/45/381912145.db2.gz YKSUPUIIMHBCCX-HOCLYGCPSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@H+](CCN1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000292952900 381921368 /nfs/dbraw/zinc/92/13/68/381921368.db2.gz VKQCRHVTIHFIIY-JWTNVVGKSA-N 2 0 299.462 2.606 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000186355144 381889541 /nfs/dbraw/zinc/88/95/41/381889541.db2.gz FVBOGNAZQURBEJ-HRCADAONSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCOCC[NH3+] ZINC000357026310 381973795 /nfs/dbraw/zinc/97/37/95/381973795.db2.gz IKMHQKPFEPIFDX-LLVKDONJSA-N 2 0 290.329 2.674 20 0 CFADRP CCCCOCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362188663 381952556 /nfs/dbraw/zinc/95/25/56/381952556.db2.gz TTZYFMCKQWMSFZ-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC2(O)CCC2)CC1)CC1CC1 ZINC000357070730 381996857 /nfs/dbraw/zinc/99/68/57/381996857.db2.gz APNKHQXNIUUHIO-UHFFFAOYSA-N 2 0 294.483 2.735 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(C)CCC1 ZINC000362306066 382001367 /nfs/dbraw/zinc/00/13/67/382001367.db2.gz XMNGPFSUXZKFEL-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357084194 382002856 /nfs/dbraw/zinc/00/28/56/382002856.db2.gz ZGBSZZRNMMTRBM-STQMWFEESA-N 2 0 284.831 2.739 20 0 CFADRP Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCOCC[NH3+])cc1 ZINC000357086391 382003001 /nfs/dbraw/zinc/00/30/01/382003001.db2.gz LTKYHYCADDSSQI-DOTOQJQBSA-N 2 0 276.424 2.743 20 0 CFADRP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000293167947 382016093 /nfs/dbraw/zinc/01/60/93/382016093.db2.gz UZOGZUBBXKRQOR-CQSZACIVSA-N 2 0 269.392 2.931 20 0 CFADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000362287067 381991714 /nfs/dbraw/zinc/99/17/14/381991714.db2.gz SUPYFESOXJALIB-DLBZAZTESA-N 2 0 289.423 2.598 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374325079 382044003 /nfs/dbraw/zinc/04/40/03/382044003.db2.gz BLMPNFCESUGIKC-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293249290 382047956 /nfs/dbraw/zinc/04/79/56/382047956.db2.gz BNFZBWGCJWBHGC-LSDHHAIUSA-N 2 0 294.439 2.560 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](CO)CC2CCCCC2)CC1 ZINC000417354883 382054218 /nfs/dbraw/zinc/05/42/18/382054218.db2.gz ABBQSEYKXKEHOD-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300709688 382067091 /nfs/dbraw/zinc/06/70/91/382067091.db2.gz MDFAKODPMRZWJA-QBPKDAKJSA-N 2 0 282.472 2.684 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343930702 382026672 /nfs/dbraw/zinc/02/66/72/382026672.db2.gz MGXGYZGOJYKAHY-GOEBONIOSA-N 2 0 291.439 2.690 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417302916 382034777 /nfs/dbraw/zinc/03/47/77/382034777.db2.gz CEKJQMBGZZUSRE-SOUVJXGZSA-N 2 0 296.480 2.798 20 0 CFADRP C[C@@H](c1ccccc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013563 382068520 /nfs/dbraw/zinc/06/85/20/382068520.db2.gz CGJICORXTCISBY-HNNXBMFYSA-N 2 0 295.446 2.702 20 0 CFADRP COC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357231990 382068728 /nfs/dbraw/zinc/06/87/28/382068728.db2.gz MBKVJZPKSINLGC-DOTOQJQBSA-N 2 0 290.451 2.912 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375853864 382108500 /nfs/dbraw/zinc/10/85/00/382108500.db2.gz RILNSMOTMWQZCS-JFIYKMOQSA-N 2 0 287.451 2.715 20 0 CFADRP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344074842 382110111 /nfs/dbraw/zinc/11/01/11/382110111.db2.gz URYVLBNQYKDKKB-KRWDZBQOSA-N 2 0 291.483 2.871 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C12CCC2 ZINC000344081270 382117399 /nfs/dbraw/zinc/11/73/99/382117399.db2.gz XACFUBYGSPJCGN-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCSC1 ZINC000344085580 382119159 /nfs/dbraw/zinc/11/91/59/382119159.db2.gz HNAGKKMDZWUUER-AWEZNQCLSA-N 2 0 288.420 2.561 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCCN2CCc3ccccc3C2)CO1 ZINC000417857178 382084905 /nfs/dbraw/zinc/08/49/05/382084905.db2.gz NOYPVXZPBXYETF-KRWDZBQOSA-N 2 0 288.435 2.592 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1OC ZINC000344109927 382133613 /nfs/dbraw/zinc/13/36/13/382133613.db2.gz YKDNLCZGSDXPBK-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000352041359 382145343 /nfs/dbraw/zinc/14/53/43/382145343.db2.gz XIDFAPJSYGCHQS-WCVJEAGWSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000346225532 296327037 /nfs/dbraw/zinc/32/70/37/296327037.db2.gz RLXQWDBLPXGRJQ-DUQPFJRNSA-N 2 0 294.483 2.996 20 0 CFADRP Cc1cc(OCCN2C[C@H]3CC[C@@H](C2)O3)c2ccccc2n1 ZINC000418965215 382203288 /nfs/dbraw/zinc/20/32/88/382203288.db2.gz SLJGCKCRPOFXHS-GASCZTMLSA-N 2 0 298.386 2.785 20 0 CFADRP Cc1nocc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000293650735 382214913 /nfs/dbraw/zinc/21/49/13/382214913.db2.gz SJJNHRCOESSIFZ-KDOFPFPSSA-N 2 0 299.418 2.983 20 0 CFADRP CC(C)n1ccnc1CN1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000377128426 382221971 /nfs/dbraw/zinc/22/19/71/382221971.db2.gz OQKWBBKEWGSNKD-HNNXBMFYSA-N 2 0 296.434 2.720 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293788022 382280579 /nfs/dbraw/zinc/28/05/79/382280579.db2.gz UFFDPYZTBUPMTK-STQMWFEESA-N 2 0 250.386 2.544 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000352342151 382281427 /nfs/dbraw/zinc/28/14/27/382281427.db2.gz OPFJLQZABYCXEQ-IRXDYDNUSA-N 2 0 290.451 2.820 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC000419216387 382246800 /nfs/dbraw/zinc/24/68/00/382246800.db2.gz PHIJOOGHVWPRQT-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(C)C)OC)C[C@H]1C ZINC000419215128 382247320 /nfs/dbraw/zinc/24/73/20/382247320.db2.gz LKLXIUSADJFDGV-OWCLPIDISA-N 2 0 270.461 2.852 20 0 CFADRP CN1CCC[C@H]1C[NH2+]CCCCCOc1ccccc1 ZINC000187746286 382261107 /nfs/dbraw/zinc/26/11/07/382261107.db2.gz IJLILKJQAVNIJK-INIZCTEOSA-N 2 0 276.424 2.920 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293761932 382267637 /nfs/dbraw/zinc/26/76/37/382267637.db2.gz SEQPLINLNJJURB-GJZGRUSLSA-N 2 0 278.440 2.804 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000187792639 382268868 /nfs/dbraw/zinc/26/88/68/382268868.db2.gz DGRLCTLCZHEATJ-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H](F)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352402836 382310901 /nfs/dbraw/zinc/31/09/01/382310901.db2.gz QLGJVXJWWYDGIL-BHYGNILZSA-N 2 0 276.399 2.798 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1C ZINC000377755423 382335393 /nfs/dbraw/zinc/33/53/93/382335393.db2.gz GKPBZMVCKLUSRU-TZMCWYRMSA-N 2 0 285.391 2.935 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346208684 382336210 /nfs/dbraw/zinc/33/62/10/382336210.db2.gz MLFDQKYHNOIQMH-WOPDTQHZSA-N 2 0 264.335 2.934 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377757722 382337575 /nfs/dbraw/zinc/33/75/75/382337575.db2.gz AOMYCJMQJWMWKO-RDJZCZTQSA-N 2 0 284.407 2.501 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420282744 382339927 /nfs/dbraw/zinc/33/99/27/382339927.db2.gz BJHPDFFPEAVKBQ-CHWSQXEVSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000352455407 382341686 /nfs/dbraw/zinc/34/16/86/382341686.db2.gz YTGLYHHDORLDAN-BXUZGUMPSA-N 2 0 260.406 2.941 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000377567546 382294809 /nfs/dbraw/zinc/29/48/09/382294809.db2.gz PIPUGSRZTWGNFG-USXIJHARSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc(CCC[N@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420298440 382349477 /nfs/dbraw/zinc/34/94/77/382349477.db2.gz FHKLNBNWMCTDHB-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420299918 382350433 /nfs/dbraw/zinc/35/04/33/382350433.db2.gz JRNQGCWMYDYMBR-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357854894 382352077 /nfs/dbraw/zinc/35/20/77/382352077.db2.gz RUDZAFZMOQZBEF-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP CSc1ccccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420301376 382352460 /nfs/dbraw/zinc/35/24/60/382352460.db2.gz VQMVOBHFZGGLSU-LBPRGKRZSA-N 2 0 264.438 2.968 20 0 CFADRP [NH3+]CCC[N@H+](CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000420304233 382353900 /nfs/dbraw/zinc/35/39/00/382353900.db2.gz DPTSHAIDCLFLJO-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP c1ccc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420303602 382354141 /nfs/dbraw/zinc/35/41/41/382354141.db2.gz KUAHFYFKCSQHMG-HNNXBMFYSA-N 2 0 258.409 2.866 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420393171 382396682 /nfs/dbraw/zinc/39/66/82/382396682.db2.gz JPIXVTKQRYLKKT-SJLPKXTDSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)C[C@@H]21 ZINC000420307837 382358387 /nfs/dbraw/zinc/35/83/87/382358387.db2.gz MVECHCDLTYYSKH-DDTOSNHZSA-N 2 0 299.340 2.660 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000420307494 382358779 /nfs/dbraw/zinc/35/87/79/382358779.db2.gz BSUYYWNZWVFLDQ-YJBOKZPZSA-N 2 0 281.403 2.760 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)CC[C@H]1CC[NH2+]C1 ZINC000420311468 382359990 /nfs/dbraw/zinc/35/99/90/382359990.db2.gz VZKXTTKPZSREKU-GOSISDBHSA-N 2 0 290.451 2.567 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000420311857 382360380 /nfs/dbraw/zinc/36/03/80/382360380.db2.gz WEHKCWYYXOKQOT-IIAWOOMASA-N 2 0 276.424 2.858 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000420311736 382360663 /nfs/dbraw/zinc/36/06/63/382360663.db2.gz HPSIPGKXUSVIPQ-CQSZACIVSA-N 2 0 252.427 2.884 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1c(F)cccc1F ZINC000420312698 382360782 /nfs/dbraw/zinc/36/07/82/382360782.db2.gz XAVBNIFFDBGYQF-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)C[C@@H]12 ZINC000420313563 382361632 /nfs/dbraw/zinc/36/16/32/382361632.db2.gz UNRQZEYDTCAGEM-NMFKLSHFSA-N 2 0 276.811 2.996 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420315071 382362671 /nfs/dbraw/zinc/36/26/71/382362671.db2.gz ZNSGECJNIWFALO-KEYYUXOJSA-N 2 0 292.398 2.587 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCSC(C)(C)C2)cc1 ZINC000420314119 382362831 /nfs/dbraw/zinc/36/28/31/382362831.db2.gz YUFPUSSXCCXOPG-CQSZACIVSA-N 2 0 294.464 2.565 20 0 CFADRP Fc1cccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420316650 382364898 /nfs/dbraw/zinc/36/48/98/382364898.db2.gz MWQBTIJDZMMRJZ-CJNGLKHVSA-N 2 0 262.372 2.962 20 0 CFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420321989 382368926 /nfs/dbraw/zinc/36/89/26/382368926.db2.gz DORSSDGTEREUPX-MJBXVCDLSA-N 2 0 292.427 2.576 20 0 CFADRP CCCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000365301760 382374257 /nfs/dbraw/zinc/37/42/57/382374257.db2.gz DNTVDIQAYNGXAQ-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP CN(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420337512 382375875 /nfs/dbraw/zinc/37/58/75/382375875.db2.gz NQAUKRLFJXZQMA-SFHVURJKSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345610 382376424 /nfs/dbraw/zinc/37/64/24/382376424.db2.gz ZZPMNCKGJBWMGC-JLZZUVOBSA-N 2 0 292.398 2.715 20 0 CFADRP Cc1nc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cs1 ZINC000420354396 382378376 /nfs/dbraw/zinc/37/83/76/382378376.db2.gz DBRFGCDRUGYVOF-UKRRQHHQSA-N 2 0 279.453 2.978 20 0 CFADRP Cc1ccc([C@]2(C)CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420353870 382379309 /nfs/dbraw/zinc/37/93/09/382379309.db2.gz CJRGPOALVMNMHG-SJLPKXTDSA-N 2 0 272.436 2.958 20 0 CFADRP Cc1ccc([C@@]2(C)CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420353864 382379473 /nfs/dbraw/zinc/37/94/73/382379473.db2.gz CJRGPOALVMNMHG-AEFFLSMTSA-N 2 0 272.436 2.958 20 0 CFADRP CC(C)(C)CC[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000188352791 382397780 /nfs/dbraw/zinc/39/77/80/382397780.db2.gz ZCEHKKDAMJTFJU-KRWDZBQOSA-N 2 0 290.451 2.779 20 0 CFADRP c1cncc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)c1 ZINC000420365927 382387356 /nfs/dbraw/zinc/38/73/56/382387356.db2.gz TUQZLBPBOSKMLR-MRXNPFEDSA-N 2 0 259.397 2.608 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000420366217 382387542 /nfs/dbraw/zinc/38/75/42/382387542.db2.gz FUUJSMAFYVIFPO-SNVBAGLBSA-N 2 0 258.312 2.548 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000372408659 296329429 /nfs/dbraw/zinc/32/94/29/296329429.db2.gz LYOSKYIHUTXDCR-XLNGHYISSA-N 2 0 294.483 2.779 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000420365204 382387856 /nfs/dbraw/zinc/38/78/56/382387856.db2.gz DUSMTPQVZDEUII-HNNXBMFYSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000420365206 382387990 /nfs/dbraw/zinc/38/79/90/382387990.db2.gz DUSMTPQVZDEUII-OAHLLOKOSA-N 2 0 276.424 2.905 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cccc2c1NCC2)CC1CCCC1 ZINC000352541058 382388285 /nfs/dbraw/zinc/38/82/85/382388285.db2.gz TUCGXFGFGMGGJJ-UHFFFAOYSA-N 2 0 287.451 2.996 20 0 CFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCF ZINC000346503329 382388821 /nfs/dbraw/zinc/38/88/21/382388821.db2.gz QHIMBIZEWVBKJK-KBPBESRZSA-N 2 0 264.388 2.702 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCC2CCCC2)CC1 ZINC000420374281 382390488 /nfs/dbraw/zinc/39/04/88/382390488.db2.gz HJPHVZYQGILELN-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCCC1CCOCC1 ZINC000420371015 382390701 /nfs/dbraw/zinc/39/07/01/382390701.db2.gz WQLICGGJHPXTFF-OAHLLOKOSA-N 2 0 268.445 2.561 20 0 CFADRP CC(C)n1nccc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352544403 382390763 /nfs/dbraw/zinc/39/07/63/382390763.db2.gz ADOCYVHWYKXXMZ-UHFFFAOYSA-N 2 0 278.444 2.805 20 0 CFADRP COC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000420398594 382398508 /nfs/dbraw/zinc/39/85/08/382398508.db2.gz HAGWVZLHCRPKDQ-BLLLJJGKSA-N 2 0 298.377 2.632 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000420375837 382392832 /nfs/dbraw/zinc/39/28/32/382392832.db2.gz PVHOKKKVLYMJJK-CYBMUJFWSA-N 2 0 289.423 2.685 20 0 CFADRP CCc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374887 382393318 /nfs/dbraw/zinc/39/33/18/382393318.db2.gz OCORWSUCHTVPBX-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395848 382398585 /nfs/dbraw/zinc/39/85/85/382398585.db2.gz DRVVDLBBOVUUTN-CZUORRHYSA-N 2 0 276.424 2.599 20 0 CFADRP CCC[C@@H]1CN(CCC[NH2+]C)CC[N@@H+]1Cc1ccccc1 ZINC000420380989 382394740 /nfs/dbraw/zinc/39/47/40/382394740.db2.gz XEXSBDOJAHSXBH-GOSISDBHSA-N 2 0 289.467 2.582 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000420296464 382348198 /nfs/dbraw/zinc/34/81/98/382348198.db2.gz DQJWCBBQSSVLDC-JZXOWHBKSA-N 2 0 288.435 2.756 20 0 CFADRP c1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000420295405 382348290 /nfs/dbraw/zinc/34/82/90/382348290.db2.gz AGROYOZTJGBMFZ-WMZOPIPTSA-N 2 0 288.435 2.667 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357847280 382348666 /nfs/dbraw/zinc/34/86/66/382348666.db2.gz ITYLFLAZBKMTFQ-SOUVJXGZSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)CCOc1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000346628871 382443400 /nfs/dbraw/zinc/44/34/00/382443400.db2.gz AVWFYBWEBNSHRK-HNNXBMFYSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(OC(F)(F)F)c1 ZINC000420405835 382400402 /nfs/dbraw/zinc/40/04/02/382400402.db2.gz MZHMMXXNAIULQX-QWRGUYRKSA-N 2 0 288.313 2.845 20 0 CFADRP c1ccc([C@H]([NH2+]CCC2CC[NH2+]CC2)[C@H]2CCOC2)cc1 ZINC000420412062 382401256 /nfs/dbraw/zinc/40/12/56/382401256.db2.gz SAFSNDHGBQDMIY-ROUUACIJSA-N 2 0 288.435 2.744 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH3+])c1cc(F)cc(Br)c1 ZINC000420408564 382401693 /nfs/dbraw/zinc/40/16/93/382401693.db2.gz PMZWUCMJWGLLDB-GFCCVEGCSA-N 2 0 289.192 2.978 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420411563 382401726 /nfs/dbraw/zinc/40/17/26/382401726.db2.gz RVQNWFFGJWSKQR-KMFMINBZSA-N 2 0 276.424 2.906 20 0 CFADRP c1ccc([C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCOC2)cc1 ZINC000420412059 382401818 /nfs/dbraw/zinc/40/18/18/382401818.db2.gz SAFSNDHGBQDMIY-MSOLQXFVSA-N 2 0 288.435 2.744 20 0 CFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420419762 382403412 /nfs/dbraw/zinc/40/34/12/382403412.db2.gz XQIZVCDNOYNGFE-RYUDHWBXSA-N 2 0 288.395 2.545 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000358014135 382409239 /nfs/dbraw/zinc/40/92/39/382409239.db2.gz JXBXIRIWMSBWSQ-NUJGCVRESA-N 2 0 290.451 2.769 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCCC2)[C@@H](C)C1 ZINC000358026883 382416710 /nfs/dbraw/zinc/41/67/10/382416710.db2.gz VNVLLAXFCCJVQP-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP COc1c(O)cccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000352619165 382420826 /nfs/dbraw/zinc/42/08/26/382420826.db2.gz ZSDVUOOXCTYLMD-UHFFFAOYSA-N 2 0 287.363 2.504 20 0 CFADRP COCCOc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346686782 382470693 /nfs/dbraw/zinc/47/06/93/382470693.db2.gz UHPBFANMWTVVLO-KRWDZBQOSA-N 2 0 294.439 2.517 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OC(C)C ZINC000346646518 382452745 /nfs/dbraw/zinc/45/27/45/382452745.db2.gz OHKACRVDPQVKFN-UKRRQHHQSA-N 2 0 292.423 2.652 20 0 CFADRP CC[C@H](C)C[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378391183 382453857 /nfs/dbraw/zinc/45/38/57/382453857.db2.gz WIPFTHJLXKQICR-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188674257 382455094 /nfs/dbraw/zinc/45/50/94/382455094.db2.gz XAZXRMOFBWXXOM-OHFALNGGSA-N 2 0 282.472 2.636 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)C2CCCCC2)CC1 ZINC000188673849 382455474 /nfs/dbraw/zinc/45/54/74/382455474.db2.gz JNZKPDPXHOCHAK-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]CC1(C)COC1)[NH+]1CCCC1 ZINC000352783703 382471538 /nfs/dbraw/zinc/47/15/38/382471538.db2.gz YHWVIBHWHKDWGI-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(Cl)c1 ZINC000346657571 382458890 /nfs/dbraw/zinc/45/88/90/382458890.db2.gz KUWPCPVMLIPYNR-UHFFFAOYSA-N 2 0 268.788 2.519 20 0 CFADRP CCCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OC ZINC000346669891 382463541 /nfs/dbraw/zinc/46/35/41/382463541.db2.gz JENLJOWQWQUAKV-DZGCQCFKSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358137420 382465316 /nfs/dbraw/zinc/46/53/16/382465316.db2.gz GRJJIBYPCHGESF-HOCLYGCPSA-N 2 0 299.418 2.543 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000346671596 382465329 /nfs/dbraw/zinc/46/53/29/382465329.db2.gz KALKRHPCVIHROZ-HOCLYGCPSA-N 2 0 281.403 2.918 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000358136135 382465350 /nfs/dbraw/zinc/46/53/50/382465350.db2.gz DSNVASROZLFHHQ-SUNYJGFJSA-N 2 0 288.435 2.699 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000346689073 382472894 /nfs/dbraw/zinc/47/28/94/382472894.db2.gz YROAPXKNFCXCNR-OAHLLOKOSA-N 2 0 294.439 2.899 20 0 CFADRP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)CC(C)(C)C[NH3+] ZINC000346690298 382474668 /nfs/dbraw/zinc/47/46/68/382474668.db2.gz UAUYZXJGRLQWBN-UHFFFAOYSA-N 2 0 290.386 2.633 20 0 CFADRP c1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)[C@H]2CCOC2)cc1 ZINC000378501129 382475005 /nfs/dbraw/zinc/47/50/05/382475005.db2.gz MFHNHJSPZDKNBZ-ROUUACIJSA-N 2 0 288.435 2.840 20 0 CFADRP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(-c2cccs2)n1 ZINC000346691961 382476508 /nfs/dbraw/zinc/47/65/08/382476508.db2.gz WZHHNRNXWZAIHD-UHFFFAOYSA-N 2 0 292.452 2.565 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346693190 382476698 /nfs/dbraw/zinc/47/66/98/382476698.db2.gz LFZVGXOJSIQMMY-HLLBOEOZSA-N 2 0 260.425 2.924 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000366164263 382478765 /nfs/dbraw/zinc/47/87/65/382478765.db2.gz MWBOPXCAVDBUTG-MSOLQXFVSA-N 2 0 293.499 2.811 20 0 CFADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000188797215 382478881 /nfs/dbraw/zinc/47/88/81/382478881.db2.gz JKOLFGLSJNKDGF-RCCFBDPRSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC1CC1 ZINC000346695234 382479798 /nfs/dbraw/zinc/47/97/98/382479798.db2.gz ZBXYXHXKAOOABE-ZFWWWQNUSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)CC[N@@H+]1C ZINC000381926408 382526245 /nfs/dbraw/zinc/52/62/45/382526245.db2.gz OWVYHSKKUSRLCA-FRRDWIJNSA-N 2 0 260.372 2.884 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CN(C)C[C@@H]2C)CCC1 ZINC000353158799 382502872 /nfs/dbraw/zinc/50/28/72/382502872.db2.gz ZJXARHCFASAGHY-GOEBONIOSA-N 2 0 288.435 2.657 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379651744 382508092 /nfs/dbraw/zinc/50/80/92/382508092.db2.gz VJIDULUGBIHMQN-WMZOPIPTSA-N 2 0 289.467 2.758 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc(OC)s1 ZINC000312056202 382510269 /nfs/dbraw/zinc/51/02/69/382510269.db2.gz FRJHGDPMCAYHBE-LBPRGKRZSA-N 2 0 285.457 2.752 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000380189888 382511290 /nfs/dbraw/zinc/51/12/90/382511290.db2.gz CMQAKVMBQRBYTJ-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CC[C@H](O)CN1CCC([NH2+]C2CCCC2)CC1 ZINC000366477165 382515338 /nfs/dbraw/zinc/51/53/38/382515338.db2.gz YXUPUVARCRXRNN-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353179338 382515697 /nfs/dbraw/zinc/51/56/97/382515697.db2.gz ZPRHQMCYHWUEAD-CYBMUJFWSA-N 2 0 274.412 2.945 20 0 CFADRP CC(C)([NH3+])C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000346819570 382528878 /nfs/dbraw/zinc/52/88/78/382528878.db2.gz HNRLPEDZFIYZAG-UHFFFAOYSA-N 2 0 264.388 2.818 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000383009704 382539018 /nfs/dbraw/zinc/53/90/18/382539018.db2.gz AUZCNRUWIANFOF-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cnc(C4CCC4)s3)C[C@@H]12 ZINC000346843208 382539415 /nfs/dbraw/zinc/53/94/15/382539415.db2.gz XMMIKCCZZFRMTM-MRVWCRGKSA-N 2 0 277.437 2.580 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000353392654 382541896 /nfs/dbraw/zinc/54/18/96/382541896.db2.gz GYXWCPFGODUOLR-BHDPWAOGSA-N 2 0 268.445 2.652 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cnccc2C)CC[NH+](C)CC1 ZINC000353609325 382575947 /nfs/dbraw/zinc/57/59/47/382575947.db2.gz KJWHRKLIIRNEQC-AWEZNQCLSA-N 2 0 293.480 2.868 20 0 CFADRP COCCCC[N@H+](Cc1ccccc1)CC(C)(C)[NH3+] ZINC000346850192 382544308 /nfs/dbraw/zinc/54/43/08/382544308.db2.gz PQVXDMIAMJXSPH-UHFFFAOYSA-N 2 0 264.413 2.653 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000328198791 382546005 /nfs/dbraw/zinc/54/60/05/382546005.db2.gz SJQZNZKGQRBDHQ-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189128945 382550638 /nfs/dbraw/zinc/55/06/38/382550638.db2.gz YLQZGQFKMFZXPP-WBVHZDCISA-N 2 0 292.467 2.800 20 0 CFADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358294976 382552781 /nfs/dbraw/zinc/55/27/81/382552781.db2.gz COXCPSHHIPNNKW-SIZVQLJJSA-N 2 0 282.431 2.789 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877938 382552746 /nfs/dbraw/zinc/55/27/46/382552746.db2.gz CMNFMTSOLJXUPC-UHFFFAOYSA-N 3 0 281.488 2.526 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@@H]2CCO[C@H](C)C2)CC1 ZINC000346871435 382553385 /nfs/dbraw/zinc/55/33/85/382553385.db2.gz VHYRCMYKGZHTEB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CCCCC2)[C@H](C)C1 ZINC000353538877 382558044 /nfs/dbraw/zinc/55/80/44/382558044.db2.gz JRMZSEHOVKLLJU-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CSC1(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000367355361 382565585 /nfs/dbraw/zinc/56/55/85/382565585.db2.gz BPQACJRYUQXOTI-UHFFFAOYSA-N 2 0 268.470 2.690 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358326382 382569324 /nfs/dbraw/zinc/56/93/24/382569324.db2.gz GAYZWIQNFMCASU-SQNIBIBYSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353611922 382577505 /nfs/dbraw/zinc/57/75/05/382577505.db2.gz GCEZKHBSBZHFAM-DZVNLGKHSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358326381 382569897 /nfs/dbraw/zinc/56/98/97/382569897.db2.gz GAYZWIQNFMCASU-KURKYZTESA-N 2 0 293.499 2.571 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367618950 382577657 /nfs/dbraw/zinc/57/76/57/382577657.db2.gz URDWAKLVFZOFKL-HIFRSBDPSA-N 2 0 278.444 2.887 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346831309 382533389 /nfs/dbraw/zinc/53/33/89/382533389.db2.gz KRDZXPYJBQTNTD-XIRDDKMYSA-N 2 0 296.418 2.554 20 0 CFADRP CN1CC[C@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C1 ZINC000358260683 382533496 /nfs/dbraw/zinc/53/34/96/382533496.db2.gz VPXDBMNCXZGZDN-AEFFLSMTSA-N 2 0 290.451 2.820 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000319472327 382534961 /nfs/dbraw/zinc/53/49/61/382534961.db2.gz QSQINYOBKZSOQF-QZTJIDSGSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000382696798 382535081 /nfs/dbraw/zinc/53/50/81/382535081.db2.gz KKPIPTZFRMVPTJ-INIZCTEOSA-N 2 0 289.467 2.581 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2n1 ZINC000320226022 382536311 /nfs/dbraw/zinc/53/63/11/382536311.db2.gz VKOKWLSQGUVBLG-HDICACEKSA-N 2 0 295.430 2.975 20 0 CFADRP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000386153475 382583805 /nfs/dbraw/zinc/58/38/05/382583805.db2.gz SPHXKNLXLVPZRP-WMLDXEAASA-N 2 0 291.439 2.570 20 0 CFADRP C[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@@]1(C)C[NH3+] ZINC000386454011 382587622 /nfs/dbraw/zinc/58/76/22/382587622.db2.gz RRGMTWHFZHOLQM-QMTHXVAHSA-N 2 0 270.779 2.896 20 0 CFADRP Cc1ccccc1[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000346967353 382591143 /nfs/dbraw/zinc/59/11/43/382591143.db2.gz DKXPMVJHJIOYKC-RYRKJORJSA-N 2 0 288.435 2.756 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000386772330 382592007 /nfs/dbraw/zinc/59/20/07/382592007.db2.gz IFXHJCXZZHFFQF-WMZOPIPTSA-N 2 0 288.435 2.756 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000353646478 382593624 /nfs/dbraw/zinc/59/36/24/382593624.db2.gz DQFFVHPRDINEBX-SFHVURJKSA-N 2 0 289.467 2.986 20 0 CFADRP CCCC[C@@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353652850 382596250 /nfs/dbraw/zinc/59/62/50/382596250.db2.gz XXTOFEYSGYXHGS-CYBMUJFWSA-N 2 0 258.475 2.982 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000387332386 382597347 /nfs/dbraw/zinc/59/73/47/382597347.db2.gz DFTBHUDUERPFTJ-GFCCVEGCSA-N 2 0 260.372 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnccc2C)C[C@H]1C ZINC000353659433 382598396 /nfs/dbraw/zinc/59/83/96/382598396.db2.gz KYGDOEDLHYEOBH-GDBMZVCRSA-N 2 0 261.413 2.695 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000397404100 382633303 /nfs/dbraw/zinc/63/33/03/382633303.db2.gz SGVNZWUEMMJCMJ-YVECIDJPSA-N 2 0 260.372 2.727 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])COCc1ccccc1 ZINC000389946276 382616740 /nfs/dbraw/zinc/61/67/40/382616740.db2.gz ULDKPFKSJNUYBR-NXHRZFHOSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000389934594 382617258 /nfs/dbraw/zinc/61/72/58/382617258.db2.gz LHPUKHFHTUHUTQ-RYRKJORJSA-N 2 0 290.451 2.960 20 0 CFADRP CC(C)OC1CC([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000189521944 382619938 /nfs/dbraw/zinc/61/99/38/382619938.db2.gz LJENKRIEUDEZMK-FHERZECASA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000393118485 382622862 /nfs/dbraw/zinc/62/28/62/382622862.db2.gz ZFONLQDLHKDKQG-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OC ZINC000394487427 382627401 /nfs/dbraw/zinc/62/74/01/382627401.db2.gz PCJBBGRCRXYWNI-SIRPWMCASA-N 2 0 282.472 2.948 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC000358345821 382579935 /nfs/dbraw/zinc/57/99/35/382579935.db2.gz OZOFPFAFLPWNKN-DOTOQJQBSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000386153476 382583179 /nfs/dbraw/zinc/58/31/79/382583179.db2.gz SPHXKNLXLVPZRP-YOEHRIQHSA-N 2 0 291.439 2.570 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353623785 382583221 /nfs/dbraw/zinc/58/32/21/382583221.db2.gz RXIRQRQUGGCOFG-BZTHDZJNSA-N 2 0 268.445 2.508 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CN1Cc1ccccc1 ZINC000189794938 382641045 /nfs/dbraw/zinc/64/10/45/382641045.db2.gz JNZRMGJGONAREA-BGTYHANMSA-N 2 0 288.435 2.543 20 0 CFADRP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000399121971 382637708 /nfs/dbraw/zinc/63/77/08/382637708.db2.gz LHIVTAPXWFQGMJ-SUMWQHHRSA-N 2 0 258.409 2.953 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCCn1ccnc1 ZINC000192366409 382707741 /nfs/dbraw/zinc/70/77/41/382707741.db2.gz IUOSRXYMLADPQK-OAHLLOKOSA-N 2 0 271.364 2.646 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000192390985 382708216 /nfs/dbraw/zinc/70/82/16/382708216.db2.gz JHSJTIBXTZMJTN-IKGGRYGDSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000192390987 382708226 /nfs/dbraw/zinc/70/82/26/382708226.db2.gz JHSJTIBXTZMJTN-ULQDDVLXSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000192454526 382709177 /nfs/dbraw/zinc/70/91/77/382709177.db2.gz QLLUDYADIWSQCC-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP Cc1ncc(C[NH2+]CC2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000336854782 382735730 /nfs/dbraw/zinc/73/57/30/382735730.db2.gz RLDSNSUGBUECLG-UHFFFAOYSA-N 2 0 298.434 2.612 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000336854501 382735848 /nfs/dbraw/zinc/73/58/48/382735848.db2.gz PEUNKWUHRGFEJG-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000336828798 382725003 /nfs/dbraw/zinc/72/50/03/382725003.db2.gz ANLKMUOFVHRNMK-HNNXBMFYSA-N 2 0 281.488 2.713 20 0 CFADRP Cn1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000336842661 382732585 /nfs/dbraw/zinc/73/25/85/382732585.db2.gz SZYWGTUGUXVNNC-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000191071399 382690193 /nfs/dbraw/zinc/69/01/93/382690193.db2.gz GNJQBRSPRIOQCK-FUHWJXTLSA-N 2 0 294.483 2.757 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000195231567 382764592 /nfs/dbraw/zinc/76/45/92/382764592.db2.gz KLWXOFDAKZRVAP-SFHVURJKSA-N 2 0 297.402 2.609 20 0 CFADRP C[NH+](C)C1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000195310188 382766237 /nfs/dbraw/zinc/76/62/37/382766237.db2.gz JJELHCWVHBGPSG-UHFFFAOYSA-N 2 0 284.350 2.814 20 0 CFADRP CN(CC[N@H+](C)CCCC(C)(C)C)C1CC[NH+](C)CC1 ZINC000337172592 382771320 /nfs/dbraw/zinc/77/13/20/382771320.db2.gz FOOFMPLRLXYGNW-UHFFFAOYSA-N 2 0 283.504 2.771 20 0 CFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCOCC[NH+](C)C ZINC000219317976 382793243 /nfs/dbraw/zinc/79/32/43/382793243.db2.gz AQMHEALAGMDXOY-INIZCTEOSA-N 2 0 292.467 2.911 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3nc4ccccc4s3)C[C@H]21 ZINC000228477716 382846918 /nfs/dbraw/zinc/84/69/18/382846918.db2.gz LSMYTUIVAXFFNI-YNEHKIRRSA-N 2 0 287.432 2.856 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC000228477401 382847001 /nfs/dbraw/zinc/84/70/01/382847001.db2.gz QSRCQPFMOAIODG-BPLDGKMQSA-N 2 0 264.800 2.899 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000577109886 382848341 /nfs/dbraw/zinc/84/83/41/382848341.db2.gz NBXNQTBDXUEFMI-KRWDZBQOSA-N 2 0 258.409 2.825 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000337335913 382804745 /nfs/dbraw/zinc/80/47/45/382804745.db2.gz LUNCFPYGVITCMP-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000576003405 382807317 /nfs/dbraw/zinc/80/73/17/382807317.db2.gz WNPJHMQXQUWHFD-CABCVRRESA-N 2 0 258.409 2.886 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(F)c1F ZINC000223940483 382808021 /nfs/dbraw/zinc/80/80/21/382808021.db2.gz DSRJUNYGKODKAJ-NSHDSACASA-N 2 0 256.340 2.957 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1COCCN1)c1ccc(F)cc1 ZINC000229194810 382850564 /nfs/dbraw/zinc/85/05/64/382850564.db2.gz WGOMXVMGBWRYDZ-COXVUDFISA-N 2 0 294.414 2.879 20 0 CFADRP Cc1nc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)[nH]c1C ZINC000576172927 382813320 /nfs/dbraw/zinc/81/33/20/382813320.db2.gz AEMQOIJEWZRQSN-CYBMUJFWSA-N 2 0 278.444 2.771 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000337390083 382814753 /nfs/dbraw/zinc/81/47/53/382814753.db2.gz KLJSSEPRINTDGW-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(CCc2cccc(C)n2)C1 ZINC000576222581 382814892 /nfs/dbraw/zinc/81/48/92/382814892.db2.gz AMADSXJOLLZAFO-MRXNPFEDSA-N 2 0 275.440 2.596 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000337412293 382817189 /nfs/dbraw/zinc/81/71/89/382817189.db2.gz WZSQOGUURRFRGB-HIFRSBDPSA-N 2 0 280.460 2.890 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000576315356 382818323 /nfs/dbraw/zinc/81/83/23/382818323.db2.gz PMMLRHSXBPPEAS-CVEARBPZSA-N 2 0 283.504 2.673 20 0 CFADRP CC(C)[NH2+]CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000576507195 382824975 /nfs/dbraw/zinc/82/49/75/382824975.db2.gz PJMPOMJZEQTAFJ-UHFFFAOYSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000226332691 382826754 /nfs/dbraw/zinc/82/67/54/382826754.db2.gz XKTWNVHOSNOJTC-OBJOEFQTSA-N 2 0 250.361 2.946 20 0 CFADRP COCCC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000577214461 382851759 /nfs/dbraw/zinc/85/17/59/382851759.db2.gz VNRZDFOYWBPHAT-KRWDZBQOSA-N 2 0 294.414 2.883 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000576694678 382832440 /nfs/dbraw/zinc/83/24/40/382832440.db2.gz LECHFEALJNWVRN-CYBMUJFWSA-N 2 0 252.377 2.736 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000337516687 382835511 /nfs/dbraw/zinc/83/55/11/382835511.db2.gz MARQOFMUNFPDBY-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CCc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000227328599 382835867 /nfs/dbraw/zinc/83/58/67/382835867.db2.gz FPICYPFSHKPDLI-UHFFFAOYSA-N 2 0 250.386 2.664 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000576779806 382836198 /nfs/dbraw/zinc/83/61/98/382836198.db2.gz YBZLFGBHULBWNL-HIFPTAJRSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCN1C ZINC000229549872 382852030 /nfs/dbraw/zinc/85/20/30/382852030.db2.gz CQAMMYHNWCAPAY-WDEREUQCSA-N 2 0 252.324 2.791 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000227375873 382836901 /nfs/dbraw/zinc/83/69/01/382836901.db2.gz FDNALWXCCNBUFA-DZGCQCFKSA-N 2 0 262.397 2.658 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000337529258 382837265 /nfs/dbraw/zinc/83/72/65/382837265.db2.gz UAWGGLCUFMRHCX-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000227498189 382837274 /nfs/dbraw/zinc/83/72/74/382837274.db2.gz QWORGEYWJLDJFJ-CYBMUJFWSA-N 2 0 250.386 2.971 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)on2)cc1 ZINC000228079687 382844114 /nfs/dbraw/zinc/84/41/14/382844114.db2.gz YRRYACRZKVISMJ-ZIAGYGMSSA-N 2 0 285.391 2.819 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441292183 382904743 /nfs/dbraw/zinc/90/47/43/382904743.db2.gz SZGFTZVADZJTFC-IXDOHACOSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1n[nH]cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236665389 382904985 /nfs/dbraw/zinc/90/49/85/382904985.db2.gz ZKBIVMSAKLEPSQ-UHFFFAOYSA-N 2 0 286.423 2.848 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN3CCCC[C@@H]13)CO2 ZINC000493895180 382907140 /nfs/dbraw/zinc/90/71/40/382907140.db2.gz VBHOWFMUAJDPMN-ULQDDVLXSA-N 2 0 286.419 2.597 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441332337 382907769 /nfs/dbraw/zinc/90/77/69/382907769.db2.gz QGLOSUKVFRLLKL-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccc(C)c1C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000577290734 382854250 /nfs/dbraw/zinc/85/42/50/382854250.db2.gz WKNSFRUIIVNHIY-JKSUJKDBSA-N 2 0 258.409 2.972 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000577351795 382856259 /nfs/dbraw/zinc/85/62/59/382856259.db2.gz LREWMMIZVYZOAR-MBNYWOFBSA-N 2 0 252.427 2.657 20 0 CFADRP CC[N@H+](Cc1ccc2ccccc2c1)C[C@@](C)(O)C[NH2+]C ZINC000577521635 382862372 /nfs/dbraw/zinc/86/23/72/382862372.db2.gz LDDMQTYOGRFQEN-SFHVURJKSA-N 2 0 286.419 2.632 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(n1)CCC2 ZINC000577705276 382867925 /nfs/dbraw/zinc/86/79/25/382867925.db2.gz ZZAFGIUPZDQBCE-QGZVFWFLSA-N 2 0 287.451 2.877 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000577828686 382872010 /nfs/dbraw/zinc/87/20/10/382872010.db2.gz HJCMAQCARKQNRV-GXTWGEPZSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000577828689 382872194 /nfs/dbraw/zinc/87/21/94/382872194.db2.gz HJCMAQCARKQNRV-TZMCWYRMSA-N 2 0 252.427 2.658 20 0 CFADRP CC[C@@H](C[NH+]1CCC([NH2+]CCOC)CC1)c1ccccc1 ZINC000577854233 382872928 /nfs/dbraw/zinc/87/29/28/382872928.db2.gz GZZGRPMIQDYHPJ-INIZCTEOSA-N 2 0 290.451 2.881 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441384145 382912651 /nfs/dbraw/zinc/91/26/51/382912651.db2.gz MXIHPNHRNVAQQA-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP CSC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000235122727 382877181 /nfs/dbraw/zinc/87/71/81/382877181.db2.gz SPJULSPOJCGDHL-UHFFFAOYSA-N 2 0 277.437 2.536 20 0 CFADRP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235500527 382882523 /nfs/dbraw/zinc/88/25/23/382882523.db2.gz DHCMXUSLTJHEHO-MLGOLLRUSA-N 2 0 271.364 2.644 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000578127342 382893041 /nfs/dbraw/zinc/89/30/41/382893041.db2.gz PBMUVEUJSSKQFJ-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421842764 382943185 /nfs/dbraw/zinc/94/31/85/382943185.db2.gz OUWACRXEOVDRDN-CYBMUJFWSA-N 2 0 299.846 2.744 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950573 532965137 /nfs/dbraw/zinc/96/51/37/532965137.db2.gz YJXZJZHCGRRDSC-ZJUUUORDSA-N 2 0 258.312 2.503 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000578668755 382944617 /nfs/dbraw/zinc/94/46/17/382944617.db2.gz OHNNNGUBPNARPC-HUUCEWRRSA-N 2 0 264.438 2.909 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000578738579 382948883 /nfs/dbraw/zinc/94/88/83/382948883.db2.gz YXUCFFQNWWVNRE-MRXNPFEDSA-N 2 0 284.407 2.617 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cc2)n1 ZINC000442761447 382952275 /nfs/dbraw/zinc/95/22/75/382952275.db2.gz CAVAIOORJICBLM-PBHICJAKSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)[C@H]1C ZINC000495031418 382954289 /nfs/dbraw/zinc/95/42/89/382954289.db2.gz ROUOVYNISODLKO-YCPHGPKFSA-N 2 0 291.439 2.546 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1C ZINC000442784765 382956345 /nfs/dbraw/zinc/95/63/45/382956345.db2.gz WHMYUTPAQMTDPR-CZUORRHYSA-N 2 0 288.435 2.984 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCSCc1ccccc1F ZINC000422760713 532964618 /nfs/dbraw/zinc/96/46/18/532964618.db2.gz HAHZJGXQXUXISB-NEPJUHHUSA-N 2 0 270.417 2.774 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000495080640 382959583 /nfs/dbraw/zinc/95/95/83/382959583.db2.gz DIHBVUCPBPHYMQ-CAOSSQGBSA-N 2 0 252.446 2.989 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000495080641 382959659 /nfs/dbraw/zinc/95/96/59/382959659.db2.gz DIHBVUCPBPHYMQ-KLHDSHLOSA-N 2 0 252.446 2.989 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCCCC2)C1 ZINC000421823310 382934014 /nfs/dbraw/zinc/93/40/14/382934014.db2.gz ZEEAUUZPDZLZQB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2(OC)CCCC2)C1 ZINC000421824480 382934599 /nfs/dbraw/zinc/93/45/99/382934599.db2.gz IYIHBXYRXUWICZ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000579004204 382974314 /nfs/dbraw/zinc/97/43/14/382974314.db2.gz GGOVARSWAMKFIF-QBPKDAKJSA-N 2 0 274.408 2.766 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000338281294 382974933 /nfs/dbraw/zinc/97/49/33/382974933.db2.gz CXLRBNXZKYWMKY-DOTOQJQBSA-N 2 0 284.488 2.885 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422697597 382975036 /nfs/dbraw/zinc/97/50/36/382975036.db2.gz VGOZCSSQCQKZCW-ZWKOTPCHSA-N 3 0 289.467 2.745 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422730049 382976900 /nfs/dbraw/zinc/97/69/00/382976900.db2.gz JEGMHYBBDJTCTA-ZOBUZTSGSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422749877 382977345 /nfs/dbraw/zinc/97/73/45/382977345.db2.gz BHXQNTSLEQSVDB-CVEARBPZSA-N 2 0 279.472 2.645 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000422766884 382977374 /nfs/dbraw/zinc/97/73/74/382977374.db2.gz RLAVCOWUYBPHMP-ZOWXZIJZSA-N 2 0 283.847 2.658 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422788965 382978841 /nfs/dbraw/zinc/97/88/41/382978841.db2.gz WHCQAOJTZHZAKO-LZLYRXPVSA-N 2 0 289.467 2.757 20 0 CFADRP CN(CCC[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422770340 382978893 /nfs/dbraw/zinc/97/88/93/382978893.db2.gz WDXKIXVEFAJPAH-UHFFFAOYSA-N 2 0 275.440 2.620 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(C)n1 ZINC000423022881 383016684 /nfs/dbraw/zinc/01/66/84/383016684.db2.gz ILKGEEPZNKYEQX-STQMWFEESA-N 2 0 266.433 2.597 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1NCCC[N@H+](C)C1CCCCC1 ZINC000422801992 382980330 /nfs/dbraw/zinc/98/03/30/382980330.db2.gz GLWBGVCLTBOWRB-NVXWUHKLSA-N 2 0 281.488 2.619 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(C)n1 ZINC000423021915 383016789 /nfs/dbraw/zinc/01/67/89/383016789.db2.gz GQUZODDKZYXQSH-PBHICJAKSA-N 2 0 292.471 2.859 20 0 CFADRP COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422809726 382980504 /nfs/dbraw/zinc/98/05/04/382980504.db2.gz QHYAIUSJSPDGSO-KZNAEPCWSA-N 2 0 288.435 2.843 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422803881 382980718 /nfs/dbraw/zinc/98/07/18/382980718.db2.gz DIOSIGDFAPWXCS-HZPDHXFCSA-N 2 0 258.409 2.968 20 0 CFADRP C[N@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000422800875 382981161 /nfs/dbraw/zinc/98/11/61/382981161.db2.gz DDNBHYRGGRWZKW-XYPWUTKMSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000422830580 382981642 /nfs/dbraw/zinc/98/16/42/382981642.db2.gz VTFORSUJRMWJOQ-TWMKSMIVSA-N 2 0 282.472 2.828 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000422816276 382982296 /nfs/dbraw/zinc/98/22/96/382982296.db2.gz DWZBPKJHSMLRJF-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834092 382982329 /nfs/dbraw/zinc/98/23/29/382982329.db2.gz HKBIZEHMNMDFIA-LXTVHRRPSA-N 2 0 268.445 2.700 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C1CCCC1 ZINC000422823765 382982455 /nfs/dbraw/zinc/98/24/55/382982455.db2.gz MDQRWOQUWWXSBB-DJIMGWMZSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCNc1ccccn1 ZINC000422834811 382982746 /nfs/dbraw/zinc/98/27/46/382982746.db2.gz OHBMEZNKGHKMRP-CVEARBPZSA-N 2 0 290.455 2.784 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000422841576 382983140 /nfs/dbraw/zinc/98/31/40/382983140.db2.gz DDMRDBHGBVEPLI-RCCFBDPRSA-N 2 0 295.515 2.993 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422881476 382985220 /nfs/dbraw/zinc/98/52/20/382985220.db2.gz NUVJWYJVNCQGCX-YVSFHVDLSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H](O)C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422880603 382985983 /nfs/dbraw/zinc/98/59/83/382985983.db2.gz XAEWXFMXKJSHOB-JWFMREHNSA-N 2 0 290.451 2.648 20 0 CFADRP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000338309533 382986604 /nfs/dbraw/zinc/98/66/04/382986604.db2.gz VOMYVVANYRFMDT-HZPDHXFCSA-N 2 0 269.477 2.523 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422892670 382987437 /nfs/dbraw/zinc/98/74/37/382987437.db2.gz ZDLITNKOLXRTPJ-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000579140830 382987876 /nfs/dbraw/zinc/98/78/76/382987876.db2.gz SHPINQGTLNCGTC-CABCVRRESA-N 2 0 264.388 2.963 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422914380 382988585 /nfs/dbraw/zinc/98/85/85/382988585.db2.gz TXVNLUIHYACYON-IXDOHACOSA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422961894 382989396 /nfs/dbraw/zinc/98/93/96/382989396.db2.gz DDOCPRFYHWZDQP-HRCADAONSA-N 2 0 291.439 2.524 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422961829 382989788 /nfs/dbraw/zinc/98/97/88/382989788.db2.gz BDJSUVIBRHPHFH-DZKIICNBSA-N 2 0 278.440 2.504 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422973004 382990980 /nfs/dbraw/zinc/99/09/80/382990980.db2.gz NMVJLFNDHLLMTI-BRSBDYLESA-N 3 0 293.499 2.619 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423025115 383017437 /nfs/dbraw/zinc/01/74/37/383017437.db2.gz KQQSBAMORIMKNE-ASHKBJFXSA-N 2 0 268.376 2.617 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccco1 ZINC000422977137 382992308 /nfs/dbraw/zinc/99/23/08/382992308.db2.gz WFHGWGNSEDSLFH-HRCADAONSA-N 2 0 293.455 2.640 20 0 CFADRP Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[nH]n1 ZINC000579225544 382994054 /nfs/dbraw/zinc/99/40/54/382994054.db2.gz ORYNBBZTDNCZOO-WBQNTZJQSA-N 2 0 290.455 2.550 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Nc1ccccc1 ZINC000422980558 382994049 /nfs/dbraw/zinc/99/40/49/382994049.db2.gz QJTHBQICSSTLIR-DZKIICNBSA-N 2 0 263.429 2.839 20 0 CFADRP C[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](C)CC2)CC1 ZINC000447165142 382995357 /nfs/dbraw/zinc/99/53/57/382995357.db2.gz DVLAGRRTPCZHSZ-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]2CC[C@H](C)C2)C1 ZINC000447321151 382995941 /nfs/dbraw/zinc/99/59/41/382995941.db2.gz LHXOLRIIYTYGPD-QEOTZNIISA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)CCC[NH3+])Nc1ccccc1 ZINC000422983182 382996408 /nfs/dbraw/zinc/99/64/08/382996408.db2.gz YUDVLYHEZCKDCI-ZBFHGGJFSA-N 2 0 263.429 2.840 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000422990605 382999041 /nfs/dbraw/zinc/99/90/41/382999041.db2.gz NWPCCOXZXCSWCE-HYVNUMGLSA-N 2 0 276.424 2.841 20 0 CFADRP C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)[C@@H]1CCCC[NH2+]1 ZINC000422993056 382999852 /nfs/dbraw/zinc/99/98/52/382999852.db2.gz SFLOKGPGPKCPTB-ARYPMIFLSA-N 2 0 270.420 2.693 20 0 CFADRP CC(C)CN1CCCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422994704 383001022 /nfs/dbraw/zinc/00/10/22/383001022.db2.gz IMSUOHAEZPWILY-CVEARBPZSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCc1ccccn1 ZINC000422995550 383001796 /nfs/dbraw/zinc/00/17/96/383001796.db2.gz KISSFHOROBXYNQ-QAPCUYQASA-N 2 0 283.419 2.562 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000422998997 383002673 /nfs/dbraw/zinc/00/26/73/383002673.db2.gz XKHYAOWYKMMXJM-YYQUZTFQSA-N 2 0 274.408 2.924 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000422998538 383002696 /nfs/dbraw/zinc/00/26/96/383002696.db2.gz QPUYPBAWNSSMTH-QGZVFWFLSA-N 2 0 299.418 2.592 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000422996682 383003121 /nfs/dbraw/zinc/00/31/21/383003121.db2.gz MTPFINQDDSCFNM-NWANDNLSSA-N 2 0 256.434 2.558 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422997502 383003293 /nfs/dbraw/zinc/00/32/93/383003293.db2.gz BNGSBSYXYDDTMP-VXGBXAGGSA-N 2 0 270.804 2.572 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422999320 383003346 /nfs/dbraw/zinc/00/33/46/383003346.db2.gz SJIDQNAVISVUOK-GJZGRUSLSA-N 2 0 290.455 2.513 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000423002187 383003949 /nfs/dbraw/zinc/00/39/49/383003949.db2.gz YMGISRHXZGZKFA-CVEARBPZSA-N 2 0 258.409 2.726 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000423001800 383004556 /nfs/dbraw/zinc/00/45/56/383004556.db2.gz ILMCOZIRVGUVMP-NVXWUHKLSA-N 2 0 260.425 2.871 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423004910 383006968 /nfs/dbraw/zinc/00/69/68/383006968.db2.gz QGIKMYPUAMZCNQ-CFVMTHIKSA-N 2 0 268.445 2.545 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000579354115 383007127 /nfs/dbraw/zinc/00/71/27/383007127.db2.gz RGSIJAJTSYDNHQ-UHFFFAOYSA-N 2 0 278.787 2.511 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423004296 383007425 /nfs/dbraw/zinc/00/74/25/383007425.db2.gz JPXIAXUQOYTGJL-BPQIPLTHSA-N 2 0 290.451 2.663 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423004009 383007570 /nfs/dbraw/zinc/00/75/70/383007570.db2.gz OBAQKMNEOCQHJP-OIISXLGYSA-N 2 0 292.467 2.578 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000423005828 383008559 /nfs/dbraw/zinc/00/85/59/383008559.db2.gz SYENNSIGCFIAEI-LRDDRELGSA-N 2 0 293.455 2.542 20 0 CFADRP COC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423012469 383010086 /nfs/dbraw/zinc/01/00/86/383010086.db2.gz DCIGTCXNJSMPHC-QOZQQMKHSA-N 2 0 284.350 2.512 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423008330 383010362 /nfs/dbraw/zinc/01/03/62/383010362.db2.gz ZXTNCLOEWGEVQH-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423012661 383010415 /nfs/dbraw/zinc/01/04/15/383010415.db2.gz DKPYWBZMXZHRKT-RAEVTNRLSA-N 2 0 260.381 2.536 20 0 CFADRP FC(F)(F)CSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423013982 383011229 /nfs/dbraw/zinc/01/12/29/383011229.db2.gz HETQNVOPMJYGMF-TUAOUCFPSA-N 2 0 296.402 2.792 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013442 383011437 /nfs/dbraw/zinc/01/14/37/383011437.db2.gz MSUCPHUCGNFGMD-WBMJQRKESA-N 2 0 294.389 2.974 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423013454 383011587 /nfs/dbraw/zinc/01/15/87/383011587.db2.gz MUPOIOXFFWIFNW-YXJHDRRASA-N 2 0 290.451 2.981 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423013837 383011607 /nfs/dbraw/zinc/01/16/07/383011607.db2.gz NLLYGRUGFVDWPE-YQQAZPJKSA-N 2 0 298.434 2.580 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423013842 383011631 /nfs/dbraw/zinc/01/16/31/383011631.db2.gz NMNJDMPSFDTDMA-IRXDYDNUSA-N 2 0 258.409 2.509 20 0 CFADRP CC[NH+](CC)CCCN[C@]1(CO)CCCc2ccccc21 ZINC000338382484 383013339 /nfs/dbraw/zinc/01/33/39/383013339.db2.gz XAGAQBHHPUKROE-SFHVURJKSA-N 2 0 290.451 2.532 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423017100 383013681 /nfs/dbraw/zinc/01/36/81/383013681.db2.gz OCAMAWHMAJTCRB-BVHQHUIFSA-N 2 0 292.398 2.774 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423019794 383015068 /nfs/dbraw/zinc/01/50/68/383015068.db2.gz XEYKDOJNDJDBOS-QWHCGFSZSA-N 2 0 252.427 2.849 20 0 CFADRP CCCCn1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000423019834 383015192 /nfs/dbraw/zinc/01/51/92/383015192.db2.gz XJIOYGCKINVSPW-HOCLYGCPSA-N 2 0 278.444 2.599 20 0 CFADRP CCCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000423019833 383015231 /nfs/dbraw/zinc/01/52/31/383015231.db2.gz XJIOYGCKINVSPW-GOEBONIOSA-N 2 0 278.444 2.599 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423019795 383015313 /nfs/dbraw/zinc/01/53/13/383015313.db2.gz XEYKDOJNDJDBOS-STQMWFEESA-N 2 0 252.427 2.849 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1(CC(=O)OC)CCCCC1 ZINC000578911756 382965648 /nfs/dbraw/zinc/96/56/48/382965648.db2.gz HMNFTQBQXOHSQG-UHFFFAOYSA-N 2 0 284.444 2.574 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)n1 ZINC000423021708 383016224 /nfs/dbraw/zinc/01/62/24/383016224.db2.gz GDZNAWOUMPAXSV-ZBFHGGJFSA-N 2 0 278.444 2.599 20 0 CFADRP Cc1oc2ccccc2c1CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423046916 383028459 /nfs/dbraw/zinc/02/84/59/383028459.db2.gz GHKXWZHWOHRHFZ-CABCVRRESA-N 2 0 258.365 2.753 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423049431 383029977 /nfs/dbraw/zinc/02/99/77/383029977.db2.gz XNMNXKFUXCPQEG-RDJZCZTQSA-N 2 0 287.451 2.894 20 0 CFADRP COCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(C)o1 ZINC000423048211 383030185 /nfs/dbraw/zinc/03/01/85/383030185.db2.gz VZIRKNHQSBKPBR-YMAMQOFZSA-N 2 0 280.412 2.773 20 0 CFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)[NH+](C)C ZINC000423051269 383031136 /nfs/dbraw/zinc/03/11/36/383031136.db2.gz MWNYGUJZWRGYAP-XYAUDYEYSA-N 2 0 287.451 2.550 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423055405 383032592 /nfs/dbraw/zinc/03/25/92/383032592.db2.gz WHUJIKDIXKTJFD-APIJFGDWSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000423055045 383033133 /nfs/dbraw/zinc/03/31/33/383033133.db2.gz VMGHLFBEPASKBM-JSGCOSHPSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSCc1ccccc1 ZINC000579607646 383034593 /nfs/dbraw/zinc/03/45/93/383034593.db2.gz LDIKCDOSXNZFSU-ZFWWWQNUSA-N 2 0 264.438 2.731 20 0 CFADRP CN1C[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])Cc2ccccc21 ZINC000423063129 383036919 /nfs/dbraw/zinc/03/69/19/383036919.db2.gz VOLYKWHFLIUEDE-BHYGNILZSA-N 2 0 287.451 2.545 20 0 CFADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC[C@@H](C)CC(C)(C)C ZINC000423062129 383037108 /nfs/dbraw/zinc/03/71/08/383037108.db2.gz SMNVVJKDXFJPQH-KBUPBQIOSA-N 2 0 270.461 2.791 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246491340 383078484 /nfs/dbraw/zinc/07/84/84/383078484.db2.gz RYCPRSPIXRULCE-FPCVCCKLSA-N 2 0 268.445 2.510 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245835140 383038259 /nfs/dbraw/zinc/03/82/59/383038259.db2.gz CJISIDYAOPFODI-FPCVCCKLSA-N 2 0 280.456 2.512 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069507 383039655 /nfs/dbraw/zinc/03/96/55/383039655.db2.gz LSAXDBTVBHUPPU-KGLIPLIRSA-N 2 0 298.377 2.938 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000423075790 383041318 /nfs/dbraw/zinc/04/13/18/383041318.db2.gz PGTYNTQSSDXHSQ-XSLAGTTESA-N 2 0 288.435 2.871 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423111605 383042882 /nfs/dbraw/zinc/04/28/82/383042882.db2.gz QRLPWQGLCFIJEQ-GJZGRUSLSA-N 2 0 264.438 2.767 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423112881 383043124 /nfs/dbraw/zinc/04/31/24/383043124.db2.gz SPCZJDJAGSZDDP-SDDRHHMPSA-N 2 0 276.346 2.839 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423121132 383043952 /nfs/dbraw/zinc/04/39/52/383043952.db2.gz IGWVVNLUSDYUAT-CXUGXGMPSA-N 2 0 290.382 2.723 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423128026 383043993 /nfs/dbraw/zinc/04/39/93/383043993.db2.gz UQTYNZUZQIWLPG-XOKHGSTOSA-N 2 0 275.440 2.841 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000423147939 383044670 /nfs/dbraw/zinc/04/46/70/383044670.db2.gz UCTADJZVMWXWMS-FRRDWIJNSA-N 2 0 260.372 2.790 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246491358 383078952 /nfs/dbraw/zinc/07/89/52/383078952.db2.gz RYCPRSPIXRULCE-WCVJEAGWSA-N 2 0 268.445 2.510 20 0 CFADRP COCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCCC1 ZINC000423169835 383046331 /nfs/dbraw/zinc/04/63/31/383046331.db2.gz WNUCLAWJYOSCJK-DOTOQJQBSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000423166731 383046721 /nfs/dbraw/zinc/04/67/21/383046721.db2.gz WAQJEWKZVYTRQZ-ZFWWWQNUSA-N 2 0 261.413 2.675 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000423181914 383047481 /nfs/dbraw/zinc/04/74/81/383047481.db2.gz JWEKQEFTLNQJLY-KRWDZBQOSA-N 2 0 260.425 2.985 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423188135 383048617 /nfs/dbraw/zinc/04/86/17/383048617.db2.gz LJQPOMURUHUTMD-LLVKDONJSA-N 2 0 287.176 2.514 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423250899 383053335 /nfs/dbraw/zinc/05/33/35/383053335.db2.gz REWLDUCKAWZDRV-VXGBXAGGSA-N 2 0 260.372 2.790 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423260313 383054225 /nfs/dbraw/zinc/05/42/25/383054225.db2.gz PYCWENBRURLUTE-GUYCJALGSA-N 2 0 274.408 2.662 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000423281403 383055509 /nfs/dbraw/zinc/05/55/09/383055509.db2.gz VKSLRKUVJAZTRZ-CJNGLKHVSA-N 2 0 276.424 2.962 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423275786 383055626 /nfs/dbraw/zinc/05/56/26/383055626.db2.gz NKOFIRKKRQTNAS-IINYFYTJSA-N 2 0 252.789 2.772 20 0 CFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423320746 383058310 /nfs/dbraw/zinc/05/83/10/383058310.db2.gz DRVSONMRLKZJST-CYBMUJFWSA-N 2 0 292.427 2.606 20 0 CFADRP CSCC1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000423327552 383058808 /nfs/dbraw/zinc/05/88/08/383058808.db2.gz LJUNVSUJYLPQKR-UHFFFAOYSA-N 2 0 270.486 2.888 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CSCCc3ccccc32)CCC[NH2+]C1 ZINC000423343719 383059808 /nfs/dbraw/zinc/05/98/08/383059808.db2.gz NRDCAUWYHMHBSL-SJORKVTESA-N 2 0 290.476 2.996 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349464 383059886 /nfs/dbraw/zinc/05/98/86/383059886.db2.gz VQMSXRVGVUOJAN-YOEHRIQHSA-N 2 0 292.398 2.801 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C(=O)OC)cc1 ZINC000423354764 383062888 /nfs/dbraw/zinc/06/28/88/383062888.db2.gz GVXQESQXAZXXHL-CVEARBPZSA-N 2 0 290.407 2.656 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cscn1 ZINC000552002220 383063325 /nfs/dbraw/zinc/06/33/25/383063325.db2.gz JVLWGMCLRKATDS-MCIONIFRSA-N 2 0 297.468 2.683 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000423363878 383064968 /nfs/dbraw/zinc/06/49/68/383064968.db2.gz OFETZGOJAQYKRF-CABCVRRESA-N 2 0 290.407 2.641 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cnc2ccsc2c1 ZINC000423363330 383065126 /nfs/dbraw/zinc/06/51/26/383065126.db2.gz BUVRJOMTDKTSAX-GVXVVHGQSA-N 2 0 275.421 2.945 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-n2ccnc2)cc1 ZINC000423368653 383067809 /nfs/dbraw/zinc/06/78/09/383067809.db2.gz SDKNEPKMXVAOJE-GOEBONIOSA-N 2 0 284.407 2.665 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000423372431 383068852 /nfs/dbraw/zinc/06/88/52/383068852.db2.gz GHZJPLABZVDFJZ-HZSPNIEDSA-N 2 0 262.397 2.795 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000423373506 383070193 /nfs/dbraw/zinc/07/01/93/383070193.db2.gz HBSKHLQSUXIOLO-BOLLXYOYSA-N 2 0 280.456 2.987 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423377193 383071040 /nfs/dbraw/zinc/07/10/40/383071040.db2.gz KAPNBTSYNOPKIU-VVMVDLBUSA-N 2 0 288.435 2.917 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423384013 383076465 /nfs/dbraw/zinc/07/64/65/383076465.db2.gz FWGBDLXTTHXUEJ-XBVQOTNRSA-N 2 0 288.435 2.820 20 0 CFADRP C[C@@H]1[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000423030181 383019544 /nfs/dbraw/zinc/01/95/44/383019544.db2.gz JKZNTOYEUPLBJO-BZZMCLGOSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423028797 383020015 /nfs/dbraw/zinc/02/00/15/383020015.db2.gz HEIQOYMOEYPGRT-GWCFXTLKSA-N 2 0 286.341 2.624 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423032782 383021047 /nfs/dbraw/zinc/02/10/47/383021047.db2.gz NDIGWXCUCFDTRX-BQGCOEIASA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H]([NH2+]CCCNc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423034446 383022735 /nfs/dbraw/zinc/02/27/35/383022735.db2.gz QBNBWUVJGQAHRA-XJKSGUPXSA-N 2 0 279.403 2.748 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423034163 383022764 /nfs/dbraw/zinc/02/27/64/383022764.db2.gz PMLYBKWDGXYNOG-CVEARBPZSA-N 2 0 279.403 2.877 20 0 CFADRP CCc1nccn1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245693369 383023871 /nfs/dbraw/zinc/02/38/71/383023871.db2.gz WMATXWACXNFMDQ-HZPDHXFCSA-N 3 0 290.455 2.567 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423036028 383023996 /nfs/dbraw/zinc/02/39/96/383023996.db2.gz KLTZAKXFHBNFSP-WZRBSPASSA-N 2 0 267.442 2.533 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423040319 383025094 /nfs/dbraw/zinc/02/50/94/383025094.db2.gz GUNWJEHVADHCTJ-RYUDHWBXSA-N 2 0 299.821 2.775 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423039531 383025163 /nfs/dbraw/zinc/02/51/63/383025163.db2.gz QSYGMEJYCRKJRW-VCCANDMLSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710202 383026375 /nfs/dbraw/zinc/02/63/75/383026375.db2.gz NBDPDLNSHYRPMF-LEUOFYLZSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)CCC2 ZINC000423491451 383119565 /nfs/dbraw/zinc/11/95/65/383119565.db2.gz JTJIDQVJKLPOAG-DCGLDWPTSA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000423491609 383119613 /nfs/dbraw/zinc/11/96/13/383119613.db2.gz JYBASUSZFNEQCI-MXSMSXNCSA-N 2 0 288.435 2.871 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000423492463 383120036 /nfs/dbraw/zinc/12/00/36/383120036.db2.gz NESBLHGGGSAWAX-DMDPSCGWSA-N 2 0 266.360 2.612 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423492902 383120179 /nfs/dbraw/zinc/12/01/79/383120179.db2.gz OYTAGDNQZWAJHP-JLJPHGGASA-N 2 0 298.434 2.959 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000423492203 383120432 /nfs/dbraw/zinc/12/04/32/383120432.db2.gz MBOYAXIIEBLQKT-ISTVAULSSA-N 2 0 266.335 2.669 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000423493612 383120469 /nfs/dbraw/zinc/12/04/69/383120469.db2.gz QHZJKIAXARBIJO-JBLDHEPKSA-N 2 0 254.324 2.743 20 0 CFADRP CCc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423495574 383121214 /nfs/dbraw/zinc/12/12/14/383121214.db2.gz UVPUIAPSTUZJAR-QZTJIDSGSA-N 2 0 290.451 2.914 20 0 CFADRP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423495999 383121335 /nfs/dbraw/zinc/12/13/35/383121335.db2.gz VPMUURSJNFUABQ-ZWKOTPCHSA-N 2 0 288.435 2.804 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000423496554 383121807 /nfs/dbraw/zinc/12/18/07/383121807.db2.gz WYWLNVWMMDUPGH-WCQGTBRESA-N 2 0 253.415 2.538 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)[C@H](C)O1 ZINC000423499094 383122622 /nfs/dbraw/zinc/12/26/22/383122622.db2.gz ALYJZFGQRSOZHH-CLWVCHIJSA-N 2 0 262.397 2.622 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423497762 383122972 /nfs/dbraw/zinc/12/29/72/383122972.db2.gz ZIMOHEIADJGDBP-WWGRRREGSA-N 2 0 296.842 2.800 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423502225 383123621 /nfs/dbraw/zinc/12/36/21/383123621.db2.gz JVKXYIANPGQUTH-WDMOLILDSA-N 2 0 278.371 2.539 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423501701 383124347 /nfs/dbraw/zinc/12/43/47/383124347.db2.gz BQVVBPZXWGTUGL-QQFBHYJXSA-N 2 0 281.488 2.617 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C12CCCCC2 ZINC000423545014 383127015 /nfs/dbraw/zinc/12/70/15/383127015.db2.gz DLIOTLFUQZANAB-CVEARBPZSA-N 2 0 280.456 2.846 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246975471 383127090 /nfs/dbraw/zinc/12/70/90/383127090.db2.gz JSNNRPUWLWEHBM-HOTGVXAUSA-N 2 0 276.424 2.836 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246975375 383127600 /nfs/dbraw/zinc/12/76/00/383127600.db2.gz JSHHLGBNMCMNLG-ZOMKSWQUSA-N 2 0 276.424 2.642 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CCC1 ZINC000339040123 383128546 /nfs/dbraw/zinc/12/85/46/383128546.db2.gz CTTQKLWZWYXCFJ-GJZGRUSLSA-N 2 0 277.412 2.725 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000246993776 383129194 /nfs/dbraw/zinc/12/91/94/383129194.db2.gz PIMCTPCMQNTSMC-IAGOWNOFSA-N 2 0 286.419 2.538 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@@H](C)C1 ZINC000247000491 383130811 /nfs/dbraw/zinc/13/08/11/383130811.db2.gz LOGYXKKFZPWTCV-HOTGVXAUSA-N 3 0 290.455 2.594 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449011898 383131285 /nfs/dbraw/zinc/13/12/85/383131285.db2.gz WAMTUORLMPIINA-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000247031454 383134982 /nfs/dbraw/zinc/13/49/82/383134982.db2.gz SBTWTWYWSGDJCA-YUDUHTQSSA-N 2 0 287.407 2.566 20 0 CFADRP CC[C@@H](O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000339062245 383136147 /nfs/dbraw/zinc/13/61/47/383136147.db2.gz XMNLZWYBNXLOAW-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP COC1(CCN2CCC3(CCC[N@@H+]3C)CC2)CCC1 ZINC000339062221 383136179 /nfs/dbraw/zinc/13/61/79/383136179.db2.gz XCNATIRSXBYPCH-UHFFFAOYSA-N 2 0 266.429 2.506 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000247057538 383136566 /nfs/dbraw/zinc/13/65/66/383136566.db2.gz XFSMSIZQXGMERO-PMPSAXMXSA-N 2 0 282.472 2.758 20 0 CFADRP Clc1cccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339070305 383138968 /nfs/dbraw/zinc/13/89/68/383138968.db2.gz LSVIRCWOKZPEKR-HUUCEWRRSA-N 2 0 294.826 2.935 20 0 CFADRP FC(F)O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000503945919 383140267 /nfs/dbraw/zinc/14/02/67/383140267.db2.gz IFOQPOORDVFZID-REWJHTLYSA-N 2 0 288.382 2.753 20 0 CFADRP COCC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC[NH2+]CC1 ZINC000423402895 383084623 /nfs/dbraw/zinc/08/46/23/383084623.db2.gz HJASLMFEBGJZOG-KRWDZBQOSA-N 2 0 288.435 2.744 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423405672 383084937 /nfs/dbraw/zinc/08/49/37/383084937.db2.gz YGKRSEGXZLTHAF-QJPTWQEYSA-N 2 0 296.386 2.763 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000449030621 383143426 /nfs/dbraw/zinc/14/34/26/383143426.db2.gz SCSQOMMVFXQMDN-SFHVURJKSA-N 2 0 272.436 2.955 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(C)c1OC ZINC000423407399 383086903 /nfs/dbraw/zinc/08/69/03/383086903.db2.gz VSQOKJDLYSFJRK-WHOFXGATSA-N 2 0 292.423 2.661 20 0 CFADRP CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccnc1 ZINC000423413372 383087296 /nfs/dbraw/zinc/08/72/96/383087296.db2.gz ZBBXDFXLHLMGMJ-INIZCTEOSA-N 2 0 291.439 2.529 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cccc(F)c2F)CC[NH2+]CC1 ZINC000423412161 383088230 /nfs/dbraw/zinc/08/82/30/383088230.db2.gz WISPKWCKWXAHLV-GFCCVEGCSA-N 2 0 298.377 2.632 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416533 383088563 /nfs/dbraw/zinc/08/85/63/383088563.db2.gz CRLROLJSXDGHCZ-VGWMRTNUSA-N 2 0 268.445 2.546 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423417848 383090041 /nfs/dbraw/zinc/09/00/41/383090041.db2.gz GFZAKHZSRUXHHR-YHUYYLMFSA-N 2 0 268.445 2.546 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)C(C)(C)c2ccccc2)CCC[NH2+]1 ZINC000423417629 383090237 /nfs/dbraw/zinc/09/02/37/383090237.db2.gz HGMLXBLRWGHOLI-QAPCUYQASA-N 2 0 290.451 2.711 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430117 383092441 /nfs/dbraw/zinc/09/24/41/383092441.db2.gz HVEKVVBHDANTLN-WCFLWFBJSA-N 2 0 280.437 2.795 20 0 CFADRP Fc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCC2)cc1 ZINC000423431846 383093595 /nfs/dbraw/zinc/09/35/95/383093595.db2.gz LZDODWSGTKFJJX-VVLHAWIVSA-N 2 0 274.383 2.864 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423431153 383093886 /nfs/dbraw/zinc/09/38/86/383093886.db2.gz LKEJLSCGBBGCQW-CHWSQXEVSA-N 2 0 262.397 2.885 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000423430879 383093992 /nfs/dbraw/zinc/09/39/92/383093992.db2.gz UVMLSWXQKJNHLA-XJKCOSOUSA-N 2 0 250.430 2.920 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434507 383095046 /nfs/dbraw/zinc/09/50/46/383095046.db2.gz NZYSWIHMWMJVOJ-QXSJWSMHSA-N 2 0 276.449 2.611 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423435091 383095162 /nfs/dbraw/zinc/09/51/62/383095162.db2.gz ORPSYWUYDGDSSW-KBPBESRZSA-N 2 0 291.439 2.557 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423443996 383098050 /nfs/dbraw/zinc/09/80/50/383098050.db2.gz WCWBSAHHQQRLPW-GHMZBOCLSA-N 2 0 255.793 2.903 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000584404697 383099463 /nfs/dbraw/zinc/09/94/63/383099463.db2.gz MPJNIOGYBSYVJL-VHSXEESVSA-N 2 0 258.768 2.985 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423453847 383101649 /nfs/dbraw/zinc/10/16/49/383101649.db2.gz KZFGLUHWQDCTPS-RYUDHWBXSA-N 2 0 289.423 2.694 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423453846 383101820 /nfs/dbraw/zinc/10/18/20/383101820.db2.gz KZFGLUHWQDCTPS-NWDGAFQWSA-N 2 0 289.423 2.694 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000423462371 383103830 /nfs/dbraw/zinc/10/38/30/383103830.db2.gz PAAOSDCIFKNZOA-GUTXKFCHSA-N 2 0 264.417 2.632 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423461482 383104137 /nfs/dbraw/zinc/10/41/37/383104137.db2.gz SUGUJEZVCKXXRH-WMLDXEAASA-N 2 0 298.434 2.967 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000423462919 383104855 /nfs/dbraw/zinc/10/48/55/383104855.db2.gz PSOMOSWKRVAHBU-WJTFHPDPSA-N 2 0 294.389 2.968 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000423466544 383106058 /nfs/dbraw/zinc/10/60/58/383106058.db2.gz IFPZMMIFNASFAO-IMJJTQAJSA-N 2 0 284.407 2.606 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423464856 383106462 /nfs/dbraw/zinc/10/64/62/383106462.db2.gz RGPFTEUUDHZZCW-XEZPLFJOSA-N 2 0 274.408 2.790 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423467027 383107145 /nfs/dbraw/zinc/10/71/45/383107145.db2.gz AYXVXHHYSRETFI-BBRMVZONSA-N 2 0 289.423 2.828 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000423467797 383107423 /nfs/dbraw/zinc/10/74/23/383107423.db2.gz UMCXKBVPVMIXBH-XFJVYGCCSA-N 2 0 262.372 2.920 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC(C)C ZINC000246810686 383108206 /nfs/dbraw/zinc/10/82/06/383108206.db2.gz AQAPHDXNJNMZIE-BBWFWOEESA-N 2 0 283.504 2.815 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000423469650 383108497 /nfs/dbraw/zinc/10/84/97/383108497.db2.gz VMFKQCYURLIBFO-OADHPXTJSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cn1 ZINC000423473969 383109617 /nfs/dbraw/zinc/10/96/17/383109617.db2.gz HBRFBMPNQOBYKS-YPMHNXCESA-N 2 0 267.804 2.918 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(Cl)cc1 ZINC000423482692 383114023 /nfs/dbraw/zinc/11/40/23/383114023.db2.gz RUQPAQFWNMYNIQ-JKSUJKDBSA-N 2 0 295.858 2.674 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423483046 383114434 /nfs/dbraw/zinc/11/44/34/383114434.db2.gz PRMQFGLWVVZVKK-GJZGRUSLSA-N 2 0 275.440 2.935 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423486106 383117198 /nfs/dbraw/zinc/11/71/98/383117198.db2.gz BMLHRAXWBCPZMI-CABCVRRESA-N 2 0 270.461 2.805 20 0 CFADRP c1csc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)c1 ZINC000423488135 383117916 /nfs/dbraw/zinc/11/79/16/383117916.db2.gz DLRWDFQGMBFVRN-ZBFHGGJFSA-N 2 0 294.464 2.948 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422805577 532972066 /nfs/dbraw/zinc/97/20/66/532972066.db2.gz JNNJGBUBHGKPKI-GXFFZTMASA-N 2 0 268.401 2.765 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247481080 383177067 /nfs/dbraw/zinc/17/70/67/383177067.db2.gz KCQNCYUPIDGOBN-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@@H](C)O1 ZINC000449108856 383179883 /nfs/dbraw/zinc/17/98/83/383179883.db2.gz WIBYGZTVQOTYDH-CKEIUWERSA-N 2 0 280.456 2.797 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449148727 383181304 /nfs/dbraw/zinc/18/13/04/383181304.db2.gz KZWNWDJBUJJDMI-HZPDHXFCSA-N 2 0 280.456 2.536 20 0 CFADRP Cc1noc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247638258 383187874 /nfs/dbraw/zinc/18/78/74/383187874.db2.gz OHPICHODDUCIFF-ABAIWWIYSA-N 2 0 274.368 2.571 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000566610345 383193660 /nfs/dbraw/zinc/19/36/60/383193660.db2.gz DJWZRWARMYTUOE-SJLPKXTDSA-N 2 0 288.435 2.758 20 0 CFADRP COCC1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000449290366 383202481 /nfs/dbraw/zinc/20/24/81/383202481.db2.gz WTRMWRIECZOHRU-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000566725781 383204797 /nfs/dbraw/zinc/20/47/97/383204797.db2.gz CHBIBKTVGZMDSD-WFASDCNBSA-N 2 0 268.351 2.614 20 0 CFADRP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000247984959 383205161 /nfs/dbraw/zinc/20/51/61/383205161.db2.gz ISLBOILRFAELCA-GOEBONIOSA-N 2 0 292.398 2.750 20 0 CFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000449303375 383209075 /nfs/dbraw/zinc/20/90/75/383209075.db2.gz LWCZAOSWNRGHJU-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC000248054589 383209689 /nfs/dbraw/zinc/20/96/89/383209689.db2.gz XBVBDPLWRBKJBI-DOTOQJQBSA-N 2 0 276.424 2.775 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC000449036123 383147458 /nfs/dbraw/zinc/14/74/58/383147458.db2.gz IXECZTNKKAKGMD-MRXNPFEDSA-N 2 0 296.480 2.989 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000247170969 383149498 /nfs/dbraw/zinc/14/94/98/383149498.db2.gz UQGSQVFLTCLFGW-XIRDDKMYSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000449043884 383150310 /nfs/dbraw/zinc/15/03/10/383150310.db2.gz AIDCMMLWKPDWLK-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4cccnc4o3)CC[C@@H]21 ZINC000449052253 383154116 /nfs/dbraw/zinc/15/41/16/383154116.db2.gz YUNVAVVNFMYSBT-ZBFHGGJFSA-N 2 0 285.391 2.744 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CCC[NH+](C)C ZINC000449060365 383155614 /nfs/dbraw/zinc/15/56/14/383155614.db2.gz DDYRQIWVPGUCGS-CYBMUJFWSA-N 2 0 260.381 2.905 20 0 CFADRP COCC1CCC([NH2+]CCC[NH+]2CCC(C)CC2)CC1 ZINC000449065560 383158621 /nfs/dbraw/zinc/15/86/21/383158621.db2.gz ZYADQHCDCNSDLB-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000449082519 383166247 /nfs/dbraw/zinc/16/62/47/383166247.db2.gz NTTSLJGBUGLULW-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000567242316 383255171 /nfs/dbraw/zinc/25/51/71/383255171.db2.gz CWCCPMLXABZOHZ-PWSUYJOCSA-N 2 0 265.426 2.628 20 0 CFADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000520568648 383263012 /nfs/dbraw/zinc/26/30/12/383263012.db2.gz BHYJKIRPGSDZPV-KSSFIOAISA-N 2 0 295.386 2.589 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000520568647 383263418 /nfs/dbraw/zinc/26/34/18/383263418.db2.gz BHYJKIRPGSDZPV-KDOFPFPSSA-N 2 0 295.386 2.589 20 0 CFADRP CC[C@@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339656618 383276418 /nfs/dbraw/zinc/27/64/18/383276418.db2.gz BAYQAYAPRSJPEF-JZWPEALZSA-N 2 0 268.445 2.606 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000567462464 383277458 /nfs/dbraw/zinc/27/74/58/383277458.db2.gz ABILQWTVXNWYOP-IINYFYTJSA-N 2 0 252.789 2.772 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000566909006 383222938 /nfs/dbraw/zinc/22/29/38/383222938.db2.gz XHAXDDPDPRKODY-FDYHWXHSSA-N 2 0 276.371 2.515 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000163270694 542361492 /nfs/dbraw/zinc/36/14/92/542361492.db2.gz USWYSZPKJONURO-BLLLJJGKSA-N 2 0 262.372 2.744 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CCC1 ZINC000449336859 383226397 /nfs/dbraw/zinc/22/63/97/383226397.db2.gz ONOJXECUEIWKJZ-AWEZNQCLSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000567483074 383279633 /nfs/dbraw/zinc/27/96/33/383279633.db2.gz JPJLVBBUKQNEIP-HUUCEWRRSA-N 2 0 272.477 2.740 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000567104445 383241358 /nfs/dbraw/zinc/24/13/58/383241358.db2.gz NLYGDMRUQLBECX-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCSC3)C2)cc1 ZINC000249115743 383327567 /nfs/dbraw/zinc/32/75/67/383327567.db2.gz SAYQGLPKAPYWCO-CVEARBPZSA-N 2 0 276.449 2.604 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000634732340 383333944 /nfs/dbraw/zinc/33/39/44/383333944.db2.gz DCDXFKOOTIMKFM-LBPRGKRZSA-N 2 0 279.453 2.888 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634732233 383334052 /nfs/dbraw/zinc/33/40/52/383334052.db2.gz BFEMHVFSFXYOOY-GFCCVEGCSA-N 2 0 252.427 2.924 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000634732276 383334155 /nfs/dbraw/zinc/33/41/55/383334155.db2.gz CAGBKWQNMRPDFA-HNNXBMFYSA-N 2 0 281.488 2.617 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732522 383334343 /nfs/dbraw/zinc/33/43/43/383334343.db2.gz IKCIYXMHNHKRLB-OAHLLOKOSA-N 2 0 276.424 2.953 20 0 CFADRP COc1cc(C)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000634732351 383334466 /nfs/dbraw/zinc/33/44/66/383334466.db2.gz DMULJWWBFUWMAV-AWEZNQCLSA-N 2 0 291.439 2.575 20 0 CFADRP CCc1ncc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634732971 383335429 /nfs/dbraw/zinc/33/54/29/383335429.db2.gz SQJDPQSSTYSFMX-NSHDSACASA-N 2 0 267.442 2.573 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CC2CC2)C1 ZINC000339675074 383283147 /nfs/dbraw/zinc/28/31/47/383283147.db2.gz BYQVYSAKBKMVNQ-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C2CC(OC(C)C)C2)CC1 ZINC000459289094 383283602 /nfs/dbraw/zinc/28/36/02/383283602.db2.gz ANUDNWJWSVUPCN-UHFFFAOYSA-N 2 0 282.472 2.996 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248754061 383288608 /nfs/dbraw/zinc/28/86/08/383288608.db2.gz CMTMNIRHUKIFOL-OIYCOIKZSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248754065 383288693 /nfs/dbraw/zinc/28/86/93/383288693.db2.gz CMTMNIRHUKIFOL-VAQLIOGMSA-N 2 0 294.464 2.775 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339719842 383296349 /nfs/dbraw/zinc/29/63/49/383296349.db2.gz VQNNNINFZNFXKT-KFWWJZLASA-N 2 0 250.430 2.981 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000567638951 383296474 /nfs/dbraw/zinc/29/64/74/383296474.db2.gz ZCMGALYYSWABGT-LBPRGKRZSA-N 2 0 299.256 2.969 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459773738 383296853 /nfs/dbraw/zinc/29/68/53/383296853.db2.gz IVQBECNJPCIRBV-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000521464491 383297541 /nfs/dbraw/zinc/29/75/41/383297541.db2.gz ZBMWWTZXVSNVGR-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248906247 383306258 /nfs/dbraw/zinc/30/62/58/383306258.db2.gz UWKNDLJEYLUTLH-BZUAXINKSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634678162 383307290 /nfs/dbraw/zinc/30/72/90/383307290.db2.gz KVQHXGBYEMYPCI-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634679680 383308890 /nfs/dbraw/zinc/30/88/90/383308890.db2.gz BOMXJUFIVJMJKJ-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634681593 383311274 /nfs/dbraw/zinc/31/12/74/383311274.db2.gz SQHBVLSLQCZBTP-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc[nH+]1 ZINC000425243018 383348079 /nfs/dbraw/zinc/34/80/79/383348079.db2.gz SMEWRIPYASBYBU-HNNXBMFYSA-N 2 0 296.418 2.844 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc3ncccc13)C2 ZINC000634688303 383320290 /nfs/dbraw/zinc/32/02/90/383320290.db2.gz OTVKWZAKAOZXHP-HDICACEKSA-N 2 0 281.403 2.666 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc2ncccc12 ZINC000634688578 383320538 /nfs/dbraw/zinc/32/05/38/383320538.db2.gz WYIBTKLMPJRXOF-GXTWGEPZSA-N 2 0 255.365 2.546 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249101139 383326817 /nfs/dbraw/zinc/32/68/17/383326817.db2.gz NQOIPHUKJWSYBQ-YYIAUSFCSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CC[NH+](C)C)CC1 ZINC000450282630 383389111 /nfs/dbraw/zinc/38/91/11/383389111.db2.gz HBTQXUPAFSCCMG-SFHVURJKSA-N 2 0 295.515 2.913 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H](C)[C@H]1OC ZINC000425953254 383393365 /nfs/dbraw/zinc/39/33/65/383393365.db2.gz RTGJSXBTZZWMML-GBJTYRQASA-N 2 0 270.461 2.613 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450405611 383394390 /nfs/dbraw/zinc/39/43/90/383394390.db2.gz QHQXNKXWBBISLM-DKISHCGFSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000251783228 383396505 /nfs/dbraw/zinc/39/65/05/383396505.db2.gz LFNCMWIOTUDRAC-BDXSIMOUSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000568412882 383401258 /nfs/dbraw/zinc/40/12/58/383401258.db2.gz MJROUJAERBMDRV-ULQDDVLXSA-N 2 0 281.488 2.747 20 0 CFADRP Cc1c[nH+]ccc1N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479371693 383403417 /nfs/dbraw/zinc/40/34/17/383403417.db2.gz OIRNTZARPYXRAV-KCQAQPDRSA-N 2 0 261.413 2.590 20 0 CFADRP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000340284880 383404342 /nfs/dbraw/zinc/40/43/42/383404342.db2.gz BRVMRQRUARVKPL-SJORKVTESA-N 2 0 281.488 2.665 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000340288373 383407110 /nfs/dbraw/zinc/40/71/10/383407110.db2.gz IYGTYGYIYFHTDW-UONOGXRCSA-N 2 0 272.383 2.840 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340174692 383368001 /nfs/dbraw/zinc/36/80/01/383368001.db2.gz SSPKPPDACLVXPO-QGZVFWFLSA-N 2 0 293.499 2.715 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000340179837 383371088 /nfs/dbraw/zinc/37/10/88/383371088.db2.gz AXQGRCRZWGIDKA-CYBMUJFWSA-N 2 0 264.413 2.651 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000469978667 383374758 /nfs/dbraw/zinc/37/47/58/383374758.db2.gz LFRXNBASKKFXFC-INIZCTEOSA-N 2 0 287.451 2.871 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000250641938 383378579 /nfs/dbraw/zinc/37/85/79/383378579.db2.gz ZURYTORQFYPPCY-GJZGRUSLSA-N 2 0 292.423 2.523 20 0 CFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340236748 383387988 /nfs/dbraw/zinc/38/79/88/383387988.db2.gz LQLFCJXCIGZORU-DLBZAZTESA-N 2 0 294.483 2.782 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2CC(F)(F)C2)CC1 ZINC000450467533 383423611 /nfs/dbraw/zinc/42/36/11/383423611.db2.gz LSKZXQKBKAVNNI-UHFFFAOYSA-N 2 0 260.372 2.838 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000252696339 383429075 /nfs/dbraw/zinc/42/90/75/383429075.db2.gz ZIEGPPSCFCTDQC-PVAVHDDUSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252759738 383432402 /nfs/dbraw/zinc/43/24/02/383432402.db2.gz CTNMLKFTOGHUQA-JLSDUUJJSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccnc1 ZINC000340475548 383434803 /nfs/dbraw/zinc/43/48/03/383434803.db2.gz DCDTXRGLYANCLG-HNNXBMFYSA-N 2 0 261.413 2.998 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000340474990 383434828 /nfs/dbraw/zinc/43/48/28/383434828.db2.gz VBJHORITTWPNET-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000340477549 383435909 /nfs/dbraw/zinc/43/59/09/383435909.db2.gz YLIHZLNPCUPTPV-BZUAXINKSA-N 2 0 268.445 2.654 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340476986 383436203 /nfs/dbraw/zinc/43/62/03/383436203.db2.gz VWWFMPSKMNFEQJ-KFWWJZLASA-N 2 0 270.461 2.758 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000252889717 383439135 /nfs/dbraw/zinc/43/91/35/383439135.db2.gz FEZWCELYTJWZTC-HIFRSBDPSA-N 2 0 292.423 2.524 20 0 CFADRP C[NH2+]C[C@@H]1CCCN1Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991626 383447116 /nfs/dbraw/zinc/44/71/16/383447116.db2.gz LZZZYLONWAHMOF-KRWDZBQOSA-N 2 0 296.418 2.515 20 0 CFADRP CCOc1ccc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991464 383447208 /nfs/dbraw/zinc/44/72/08/383447208.db2.gz FQVSIPCDOLCPQO-ZCDVPAHGSA-N 2 0 286.419 2.974 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188729 383447242 /nfs/dbraw/zinc/44/72/42/383447242.db2.gz KBDDPZARJCDKSE-MBNYWOFBSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000253191802 383448080 /nfs/dbraw/zinc/44/80/80/383448080.db2.gz MPQUZRRTHGCZHE-QWHCGFSZSA-N 2 0 282.815 2.636 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CNC[C@H](C[NH3+])C(C)C)cc1 ZINC000634995004 383450384 /nfs/dbraw/zinc/45/03/84/383450384.db2.gz RRGNFQOOFOGFSK-IRXDYDNUSA-N 2 0 277.456 2.630 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CNC[C@@H](C[NH3+])C(C)C)cc1 ZINC000634995003 383450858 /nfs/dbraw/zinc/45/08/58/383450858.db2.gz RRGNFQOOFOGFSK-IAGOWNOFSA-N 2 0 277.456 2.630 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000340515376 383451063 /nfs/dbraw/zinc/45/10/63/383451063.db2.gz BLJAXWCAMAPCSP-DOMZBBRYSA-N 2 0 296.842 2.821 20 0 CFADRP CCc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc[nH+]1 ZINC000450539100 383452372 /nfs/dbraw/zinc/45/23/72/383452372.db2.gz IRPMNQNGMPJWJL-CQSZACIVSA-N 2 0 273.424 2.955 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000634998326 383453154 /nfs/dbraw/zinc/45/31/54/383453154.db2.gz DGUXBIWIJDTRHE-DZGCQCFKSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC3(CCSCC3)CC2)CC[NH2+]1 ZINC000634999640 383457545 /nfs/dbraw/zinc/45/75/45/383457545.db2.gz XFRFMZGWTFPDBZ-HUUCEWRRSA-N 2 0 282.497 2.984 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CF)c2ccc(F)cc2)CC[NH2+]1 ZINC000635002772 383458389 /nfs/dbraw/zinc/45/83/89/383458389.db2.gz ZGFSCZFGHATDSJ-XUJVJEKNSA-N 2 0 268.351 2.814 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635003463 383459826 /nfs/dbraw/zinc/45/98/26/383459826.db2.gz DFHPHRNLCJLWAK-NOLJZWGESA-N 2 0 289.423 2.813 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)[C@@H]1C[C@@H]1C ZINC000635005045 383460577 /nfs/dbraw/zinc/46/05/77/383460577.db2.gz GWNURGDNAJBYCD-LLLHUVSDSA-N 2 0 260.425 2.971 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004575 383460747 /nfs/dbraw/zinc/46/07/47/383460747.db2.gz JCWCNSOXFPUJEX-AXAPSJFSSA-N 2 0 292.398 2.929 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004578 383460914 /nfs/dbraw/zinc/46/09/14/383460914.db2.gz JCWCNSOXFPUJEX-RBOXIYTFSA-N 2 0 292.398 2.929 20 0 CFADRP [NH3+][C@@H](CC[NH2+][C@@H]1CCC12CCC2)Cc1ccccc1 ZINC000635006092 383461745 /nfs/dbraw/zinc/46/17/45/383461745.db2.gz KUFXIUUYNOXLFU-JKSUJKDBSA-N 2 0 258.409 2.869 20 0 CFADRP [NH3+][C@H](CC[NH2+][C@@H]1CCC12CCC2)Cc1ccccc1 ZINC000635006091 383461796 /nfs/dbraw/zinc/46/17/96/383461796.db2.gz KUFXIUUYNOXLFU-HZPDHXFCSA-N 2 0 258.409 2.869 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006152 383461870 /nfs/dbraw/zinc/46/18/70/383461870.db2.gz LBKWGMRXAUXNPX-YOEHRIQHSA-N 2 0 269.392 2.692 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000635005285 383462145 /nfs/dbraw/zinc/46/21/45/383462145.db2.gz TYPPYKAGSFNJEV-XZJROXQQSA-N 2 0 298.377 2.902 20 0 CFADRP [NH3+][C@H](CC[NH2+][C@H]1CCC12CCC2)Cc1ccccc1 ZINC000635006080 383462518 /nfs/dbraw/zinc/46/25/18/383462518.db2.gz KUFXIUUYNOXLFU-CVEARBPZSA-N 2 0 258.409 2.869 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000635006836 383463262 /nfs/dbraw/zinc/46/32/62/383463262.db2.gz TXAUIJMOGXXSIU-SMLCLMEVSA-N 2 0 280.456 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000635006206 383463310 /nfs/dbraw/zinc/46/33/10/383463310.db2.gz XUHHUTQKBXIPKW-WCBMZHEXSA-N 2 0 278.343 2.984 20 0 CFADRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000635006928 383463386 /nfs/dbraw/zinc/46/33/86/383463386.db2.gz COHNJTXUHKOJLM-AWEZNQCLSA-N 2 0 282.391 2.664 20 0 CFADRP COCC1CCC([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000635006686 383463506 /nfs/dbraw/zinc/46/35/06/383463506.db2.gz MUZUDLUHMKBSCP-LXPRWKDFSA-N 2 0 290.451 2.741 20 0 CFADRP Cc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000635009011 383465190 /nfs/dbraw/zinc/46/51/90/383465190.db2.gz LQFPTWDIGZLASJ-HNNXBMFYSA-N 2 0 296.418 2.973 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000635009552 383465227 /nfs/dbraw/zinc/46/52/27/383465227.db2.gz VZTGQTCZQZMXLB-KMFMINBZSA-N 2 0 273.424 2.706 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000635008959 383465285 /nfs/dbraw/zinc/46/52/85/383465285.db2.gz WMBDNGDEOTZQBT-YRGRVCCFSA-N 2 0 276.380 2.583 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)o1 ZINC000635010593 383466516 /nfs/dbraw/zinc/46/65/16/383466516.db2.gz UCQPUHMJAMNFSJ-NSHDSACASA-N 2 0 259.353 2.601 20 0 CFADRP CC[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000635012229 383467588 /nfs/dbraw/zinc/46/75/88/383467588.db2.gz JVPGVVACKPMLPQ-HRCADAONSA-N 2 0 280.456 2.846 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C12CCC2 ZINC000635012354 383468453 /nfs/dbraw/zinc/46/84/53/383468453.db2.gz TUEXVGZTMAMSRL-QLFBSQMISA-N 2 0 280.456 2.702 20 0 CFADRP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C2)cc1 ZINC000635013129 383469729 /nfs/dbraw/zinc/46/97/29/383469729.db2.gz QSVASXCVDSQSME-AEFFLSMTSA-N 2 0 289.467 2.676 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCO2 ZINC000635013260 383469806 /nfs/dbraw/zinc/46/98/06/383469806.db2.gz XLMZTGZJGLMMDJ-JSGCOSHPSA-N 2 0 290.407 2.844 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569121552 383470114 /nfs/dbraw/zinc/47/01/14/383470114.db2.gz HCWCAVRUIJJDBZ-BRWVUGGUSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000635014132 383470548 /nfs/dbraw/zinc/47/05/48/383470548.db2.gz OGYFRYXDUZLNRB-UGWHAMFMSA-N 2 0 296.842 2.523 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@@H](C)C1 ZINC000635019598 383472532 /nfs/dbraw/zinc/47/25/32/383472532.db2.gz IVYXGWPEKZKRCJ-UXLLHSPISA-N 2 0 287.451 2.906 20 0 CFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000450593606 383473163 /nfs/dbraw/zinc/47/31/63/383473163.db2.gz BJSZXKOGPXIHBG-RCCFBDPRSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000635022980 383473583 /nfs/dbraw/zinc/47/35/83/383473583.db2.gz QQPKWYDBSYNMHD-OWCLPIDISA-N 2 0 294.464 2.612 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000450463056 383421503 /nfs/dbraw/zinc/42/15/03/383421503.db2.gz LVEIJGMFJZYQMT-GFCCVEGCSA-N 2 0 260.372 2.695 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261724121 383548197 /nfs/dbraw/zinc/54/81/97/383548197.db2.gz GJHKROQNIAZTAR-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000429570074 383548285 /nfs/dbraw/zinc/54/82/85/383548285.db2.gz AKBGIIPFRHWHGD-CYBMUJFWSA-N 2 0 289.423 2.765 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000569330405 383488489 /nfs/dbraw/zinc/48/84/89/383488489.db2.gz XMNYYAFFQGPUIV-YOEHRIQHSA-N 2 0 276.424 2.829 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCN1CCOC ZINC000569438139 383498901 /nfs/dbraw/zinc/49/89/01/383498901.db2.gz NGWROJRUXAXTCE-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261543494 383508623 /nfs/dbraw/zinc/50/86/23/383508623.db2.gz TUMYAZHODDIPCB-NEPJUHHUSA-N 2 0 252.789 2.818 20 0 CFADRP CCCN(Cc1cnn(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC000261744949 383550860 /nfs/dbraw/zinc/55/08/60/383550860.db2.gz SLQQLJPJBYCYCS-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP CSC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000429298471 383515170 /nfs/dbraw/zinc/51/51/70/383515170.db2.gz XIRXWIIHGSWXSB-LSDHHAIUSA-N 2 0 270.486 2.936 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(CO)ccc1F ZINC000528393439 383516376 /nfs/dbraw/zinc/51/63/76/383516376.db2.gz WTEUKIGUJJHIQJ-MRXNPFEDSA-N 2 0 294.414 2.624 20 0 CFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC000528401199 383520460 /nfs/dbraw/zinc/52/04/60/383520460.db2.gz VZZRIWNRECRCAG-CABCVRRESA-N 2 0 250.430 2.981 20 0 CFADRP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261594390 383524051 /nfs/dbraw/zinc/52/40/51/383524051.db2.gz NOEXHDKYKUFDBY-KRWDZBQOSA-N 2 0 256.393 2.749 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]21 ZINC000261597334 383524721 /nfs/dbraw/zinc/52/47/21/383524721.db2.gz NVKYDRRGXORIBB-IXDOHACOSA-N 2 0 281.403 2.794 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000569686812 383526436 /nfs/dbraw/zinc/52/64/36/383526436.db2.gz KUFRIAJSJQHFNY-KRWDZBQOSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000450862151 383526709 /nfs/dbraw/zinc/52/67/09/383526709.db2.gz ZRBPWKYPARUHNV-IAGOWNOFSA-N 2 0 281.488 2.665 20 0 CFADRP CCc1nc(C)c(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000261609133 383527406 /nfs/dbraw/zinc/52/74/06/383527406.db2.gz DPAGFVLEXCLKEC-RBSFLKMASA-N 2 0 291.439 2.946 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000261610174 383528528 /nfs/dbraw/zinc/52/85/28/383528528.db2.gz SHGQPZQZLXLRJI-RDJZCZTQSA-N 2 0 258.409 2.796 20 0 CFADRP COC1(C[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CCC1 ZINC000429423163 383530370 /nfs/dbraw/zinc/53/03/70/383530370.db2.gz AWRRKNVUTIPYCS-AWEZNQCLSA-N 2 0 268.445 2.797 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261625977 383530997 /nfs/dbraw/zinc/53/09/97/383530997.db2.gz VJJUCMAMLKLLTG-UAGQMJEPSA-N 2 0 256.393 2.748 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C(C)C)C2)C1 ZINC000488409551 383531386 /nfs/dbraw/zinc/53/13/86/383531386.db2.gz HEAUVUBPRFZSSC-ILXRZTDVSA-N 2 0 270.486 2.838 20 0 CFADRP Cc1ncsc1C[N@H+](CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000261639894 383534334 /nfs/dbraw/zinc/53/43/34/383534334.db2.gz DGGKQFSWOINAJG-ZDUSSCGKSA-N 2 0 267.442 2.519 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000569746700 383535261 /nfs/dbraw/zinc/53/52/61/383535261.db2.gz BTWDOIXCPHXQRW-ILXRZTDVSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(N)c2)C[C@@H]1C ZINC000261648007 383535985 /nfs/dbraw/zinc/53/59/85/383535985.db2.gz HHCZPJYYNGQKKA-BBRMVZONSA-N 2 0 261.413 2.573 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000429585289 383552017 /nfs/dbraw/zinc/55/20/17/383552017.db2.gz IYNIMDKXGWCKOT-FRRDWIJNSA-N 2 0 275.396 2.518 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000488434926 383537566 /nfs/dbraw/zinc/53/75/66/383537566.db2.gz UIIYXRUPDJPDCU-SMDDNHRTSA-N 2 0 250.361 2.633 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CCN1C ZINC000488446239 383541759 /nfs/dbraw/zinc/54/17/59/383541759.db2.gz GUOVHXMNZSLEDS-MQYQWHSLSA-N 2 0 270.486 2.979 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000429552251 383543271 /nfs/dbraw/zinc/54/32/71/383543271.db2.gz JBOXCRKJANNZKP-VBNZEHGJSA-N 2 0 289.423 2.943 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H](NC/C=C(\C)Cl)[C@@H](C)C1 ZINC000528460202 383543512 /nfs/dbraw/zinc/54/35/12/383543512.db2.gz WOERUAMJTBYUFU-JZUXZRAKSA-N 2 0 288.863 2.856 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000488452148 383543573 /nfs/dbraw/zinc/54/35/73/383543573.db2.gz AREXPNJTDWJZHP-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000261705285 383544535 /nfs/dbraw/zinc/54/45/35/383544535.db2.gz IJZUSNWJQJEULR-SFHVURJKSA-N 2 0 281.403 2.919 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261906037 383577935 /nfs/dbraw/zinc/57/79/35/383577935.db2.gz WYHIEPNKTUTRPA-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000261925609 383579948 /nfs/dbraw/zinc/57/99/48/383579948.db2.gz KZCOGMRFBUZRQW-ZJUUUORDSA-N 2 0 258.818 2.961 20 0 CFADRP COCCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000528574223 383581075 /nfs/dbraw/zinc/58/10/75/383581075.db2.gz PLLWFDCRKMRDKU-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP Fc1cccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000262190508 383611512 /nfs/dbraw/zinc/61/15/12/383611512.db2.gz JNLJATTVLAQNBN-OAHLLOKOSA-N 2 0 262.372 2.615 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261947691 383584611 /nfs/dbraw/zinc/58/46/11/383584611.db2.gz NMLKMECIXPRZQX-RYQLBKOJSA-N 2 0 288.435 2.817 20 0 CFADRP C[N@H+](Cc1ccc(OCC2CC2)cc1)CC(C)(C)C[NH3+] ZINC000261980937 383590303 /nfs/dbraw/zinc/59/03/03/383590303.db2.gz RGTFNMQSHQMXFP-UHFFFAOYSA-N 2 0 276.424 2.892 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000570289831 383590758 /nfs/dbraw/zinc/59/07/58/383590758.db2.gz SKJGRDFJIQYHLA-MRXNPFEDSA-N 2 0 284.407 2.539 20 0 CFADRP COc1cc(CN(C)C[C@]2(C)CC[NH2+]C2)ccc1SC ZINC000261991629 383591207 /nfs/dbraw/zinc/59/12/07/383591207.db2.gz KHPRGVDLYFVENX-MRXNPFEDSA-N 2 0 294.464 2.849 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000261992752 383592187 /nfs/dbraw/zinc/59/21/87/383592187.db2.gz MSEZMTAGZOIIKY-UHFFFAOYSA-N 2 0 298.434 2.760 20 0 CFADRP CC(C)[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000528635931 383593523 /nfs/dbraw/zinc/59/35/23/383593523.db2.gz BGUBEWWEJRVZRR-QGZVFWFLSA-N 2 0 298.434 2.752 20 0 CFADRP Cc1ccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cn2c1 ZINC000262007096 383593684 /nfs/dbraw/zinc/59/36/84/383593684.db2.gz VYFUKCSRLPQHGS-KRWDZBQOSA-N 2 0 298.434 2.607 20 0 CFADRP CC[NH2+]CC1CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000262022142 383596265 /nfs/dbraw/zinc/59/62/65/383596265.db2.gz WHKXTSKXAHNLSD-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP c1ccc2c(c1)CCN2C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262032239 383597051 /nfs/dbraw/zinc/59/70/51/383597051.db2.gz XHXYDIVHIOXRJX-INIZCTEOSA-N 2 0 299.462 2.513 20 0 CFADRP c1ccc2c(c1)CCN2C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262032241 383597612 /nfs/dbraw/zinc/59/76/12/383597612.db2.gz XHXYDIVHIOXRJX-MRXNPFEDSA-N 2 0 299.462 2.513 20 0 CFADRP COc1ccc(Cl)c(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000262087855 383604249 /nfs/dbraw/zinc/60/42/49/383604249.db2.gz GIORUQKCPQJADG-AWEZNQCLSA-N 2 0 268.788 2.519 20 0 CFADRP C[C@]1(c2ccccc2)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262093969 383604416 /nfs/dbraw/zinc/60/44/16/383604416.db2.gz VAWRIZJCGRLDRW-IRXDYDNUSA-N 2 0 258.409 2.650 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCOc2cccc(C(C)(C)C)c2)C1 ZINC000430921190 383612670 /nfs/dbraw/zinc/61/26/70/383612670.db2.gz XLONXDWMRWCSLW-OAHLLOKOSA-N 2 0 290.451 2.904 20 0 CFADRP CC(C[NH+]1CCC(CF)CC1)C[NH+]1CCC(CF)CC1 ZINC000451396458 383606992 /nfs/dbraw/zinc/60/69/92/383606992.db2.gz SOAFAYGUYJJEBM-UHFFFAOYSA-N 2 0 288.426 2.986 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC[NH2+]C1 ZINC000261759894 383553330 /nfs/dbraw/zinc/55/33/30/383553330.db2.gz LGQDTJVOBUNIDO-CVEARBPZSA-N 2 0 262.372 2.962 20 0 CFADRP FC(F)(F)c1ccccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261758676 383554243 /nfs/dbraw/zinc/55/42/43/383554243.db2.gz NMHFCZMVRDIOLU-WCQYABFASA-N 2 0 284.325 2.747 20 0 CFADRP CC[NH+](CC)[C@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000429691739 383558722 /nfs/dbraw/zinc/55/87/22/383558722.db2.gz ORTSPOJGNOHHDJ-SFHVURJKSA-N 2 0 289.467 2.535 20 0 CFADRP CCOc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1OCC ZINC000261786868 383559600 /nfs/dbraw/zinc/55/96/00/383559600.db2.gz NIPALMWFVAQWKG-QGZVFWFLSA-N 2 0 292.423 2.655 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2csc(-c3ccoc3)n2)C1 ZINC000261785782 383559901 /nfs/dbraw/zinc/55/99/01/383559901.db2.gz UMBUMNPXWVMYKT-CQSZACIVSA-N 2 0 277.393 2.574 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC000528510457 383561234 /nfs/dbraw/zinc/56/12/34/383561234.db2.gz AKBFJPJUXKLXRU-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000261787855 383561267 /nfs/dbraw/zinc/56/12/67/383561267.db2.gz FZHIHHMJIYNERS-JMSVASOKSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261790109 383561658 /nfs/dbraw/zinc/56/16/58/383561658.db2.gz GCCYETSGHRFIPK-JQWIXIFHSA-N 2 0 265.426 2.580 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261805757 383564013 /nfs/dbraw/zinc/56/40/13/383564013.db2.gz HIQPIKUFIHEMPZ-BBRMVZONSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCOC1CCCC1 ZINC000422831462 532993013 /nfs/dbraw/zinc/99/30/13/532993013.db2.gz TTYXJCNTPKMAHI-QAPCUYQASA-N 2 0 290.451 2.884 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)c1 ZINC000570077242 383568696 /nfs/dbraw/zinc/56/86/96/383568696.db2.gz QAEVVOJJRZYWLV-SFHVURJKSA-N 2 0 272.436 2.905 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000430938520 383613414 /nfs/dbraw/zinc/61/34/14/383613414.db2.gz BYCZPZCEBUPMAH-CQSZACIVSA-N 2 0 283.375 2.655 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451427423 383613827 /nfs/dbraw/zinc/61/38/27/383613827.db2.gz XDNJFOPWGUFBIA-ZACQAIPSSA-N 2 0 291.439 2.597 20 0 CFADRP COc1ccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000262416832 383619816 /nfs/dbraw/zinc/61/98/16/383619816.db2.gz DRJFFQSAIAEKKV-QZTJIDSGSA-N 2 0 296.414 2.890 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CCC[NH2+]CC)C1(C)C ZINC000572111807 383755540 /nfs/dbraw/zinc/75/55/40/383755540.db2.gz UZDSHEJATCZGQJ-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]CC)C1(C)C ZINC000572111808 383756006 /nfs/dbraw/zinc/75/60/06/383756006.db2.gz UZDSHEJATCZGQJ-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453106826 383767865 /nfs/dbraw/zinc/76/78/65/383767865.db2.gz FOLMNKFAEHJSHK-KDOFPFPSSA-N 2 0 292.467 2.656 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)c2ccccc21 ZINC000571038345 383661513 /nfs/dbraw/zinc/66/15/13/383661513.db2.gz NIOSFWBWBVSJOX-DLBZAZTESA-N 2 0 294.402 2.631 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2NC2CC3(CCC3)C2)CC1 ZINC000571045592 383661749 /nfs/dbraw/zinc/66/17/49/383661749.db2.gz NRNNBIRBQZVOFX-UHFFFAOYSA-N 2 0 286.423 2.578 20 0 CFADRP CC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000571115442 383665742 /nfs/dbraw/zinc/66/57/42/383665742.db2.gz CGHVDYSWDCVJLM-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCOCC[NH+](C)C)c2sccc21 ZINC000453222907 383807099 /nfs/dbraw/zinc/80/70/99/383807099.db2.gz OLGSSQZVGYFGIK-TZMCWYRMSA-N 2 0 282.453 2.854 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CCOCC[NH+](C)C ZINC000453230255 383809418 /nfs/dbraw/zinc/80/94/18/383809418.db2.gz UWZALJIJSCQJMS-CQSZACIVSA-N 2 0 290.407 2.532 20 0 CFADRP CO[C@H](C[N@H+](C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000640533339 383820193 /nfs/dbraw/zinc/82/01/93/383820193.db2.gz FKHOVJPHNCQAFS-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1C ZINC000436255228 383793774 /nfs/dbraw/zinc/79/37/74/383793774.db2.gz WTYSMOZVIIYVRM-BXUZGUMPSA-N 2 0 290.436 2.711 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436289376 383800780 /nfs/dbraw/zinc/80/07/80/383800780.db2.gz HYRSPCOMRWPTED-NJAFHUGGSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)OC ZINC000453299425 383842346 /nfs/dbraw/zinc/84/23/46/383842346.db2.gz VKKJGWOOHGRFBR-GCSSGZNBSA-N 2 0 268.445 2.510 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000572982337 383853853 /nfs/dbraw/zinc/85/38/53/383853853.db2.gz SPTAMIIGTSDYFR-DLBZAZTESA-N 2 0 278.440 2.676 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000453593021 383862680 /nfs/dbraw/zinc/86/26/80/383862680.db2.gz GBRBYIRBYLVESV-UHFFFAOYSA-N 2 0 256.777 2.897 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000573070736 383865251 /nfs/dbraw/zinc/86/52/51/383865251.db2.gz LIYKSGZOFZPREO-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cccc2ncc(C[NH2+]CCCC[N@@H+](C)C3CC3)n21 ZINC000453599366 383867635 /nfs/dbraw/zinc/86/76/35/383867635.db2.gz QTVGFTIRCNOVCK-UHFFFAOYSA-N 2 0 286.423 2.607 20 0 CFADRP Cc1ccc(CCC[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453597017 383867813 /nfs/dbraw/zinc/86/78/13/383867813.db2.gz MUVCWVZKSIFVHQ-UHFFFAOYSA-N 2 0 275.440 2.787 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccccc1F)C1CC1 ZINC000453602517 383868755 /nfs/dbraw/zinc/86/87/55/383868755.db2.gz WGLUZBXKDGYWIJ-UHFFFAOYSA-N 2 0 250.361 2.790 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103140 383872251 /nfs/dbraw/zinc/87/22/51/383872251.db2.gz DSPKOEAEPZJEQC-HNNXBMFYSA-N 2 0 274.408 2.544 20 0 CFADRP CC(=O)Nc1ccccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453605049 383873008 /nfs/dbraw/zinc/87/30/08/383873008.db2.gz ZTSVTUMQQJISGC-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP Cc1cccc([C@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646104509 383874044 /nfs/dbraw/zinc/87/40/44/383874044.db2.gz OQHWGFYWZHMWFG-INIZCTEOSA-N 2 0 288.435 2.853 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000422708977 533020376 /nfs/dbraw/zinc/02/03/76/533020376.db2.gz COVHRXPESWGBEE-DLBZAZTESA-N 2 0 276.424 2.871 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000422826331 533020639 /nfs/dbraw/zinc/02/06/39/533020639.db2.gz QRRBZJVHEOVQPK-LZWOXQAQSA-N 2 0 264.413 2.522 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000070346725 412971404 /nfs/dbraw/zinc/97/14/04/412971404.db2.gz FIVIVIPKWFNUIE-JSGCOSHPSA-N 2 0 268.445 2.843 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000573487722 383938386 /nfs/dbraw/zinc/93/83/86/383938386.db2.gz GEKJSFDLVDOUSD-UHFFFAOYSA-N 2 0 294.402 2.806 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438092131 383946273 /nfs/dbraw/zinc/94/62/73/383946273.db2.gz IEOWVJLSUODEMT-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000531970872 383948071 /nfs/dbraw/zinc/94/80/71/383948071.db2.gz TTYCJGRECFELBW-KBPBESRZSA-N 2 0 274.408 2.709 20 0 CFADRP CC[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+](CC)CC ZINC000265609286 383956918 /nfs/dbraw/zinc/95/69/18/383956918.db2.gz OAYAOCLKZOTPDF-MRXNPFEDSA-N 2 0 291.439 2.807 20 0 CFADRP C(CC[NH2+]CC[C@H]1CCOC1)CC[NH+]1CCCCC1 ZINC000438213436 383973883 /nfs/dbraw/zinc/97/38/83/383973883.db2.gz XXXSAJNCOJUSQZ-INIZCTEOSA-N 2 0 268.445 2.659 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)C1 ZINC000573862998 384003643 /nfs/dbraw/zinc/00/36/43/384003643.db2.gz WWSKSEYRTXNLDX-BZUAXINKSA-N 2 0 273.424 2.515 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)C1 ZINC000573863000 384003874 /nfs/dbraw/zinc/00/38/74/384003874.db2.gz WWSKSEYRTXNLDX-OAGGEKHMSA-N 2 0 273.424 2.515 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000574149164 384050928 /nfs/dbraw/zinc/05/09/28/384050928.db2.gz GPBHRAPJAYEMBS-SWLSCSKDSA-N 2 0 262.397 2.518 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)s2)[C@@H](C)C1 ZINC000266128192 384087872 /nfs/dbraw/zinc/08/78/72/384087872.db2.gz QKPDQYHRGDOMRP-SMDDNHRTSA-N 2 0 252.427 2.876 20 0 CFADRP CC[C@H](F)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440491755 384088544 /nfs/dbraw/zinc/08/85/44/384088544.db2.gz HPLUMVYXSLOMPU-IHRRRGAJSA-N 2 0 256.409 2.977 20 0 CFADRP CC(C)[NH2+]CCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000574188420 384059182 /nfs/dbraw/zinc/05/91/82/384059182.db2.gz ODGYRMASHJYEAS-UHFFFAOYSA-N 2 0 289.467 2.629 20 0 CFADRP CCc1ncc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000574188375 384059382 /nfs/dbraw/zinc/05/93/82/384059382.db2.gz GXAOLZRECYBBSM-RBSFLKMASA-N 2 0 277.412 2.637 20 0 CFADRP [NH3+]C[C@H](C[N@@H+]1CC[C@@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000574452951 384098498 /nfs/dbraw/zinc/09/84/98/384098498.db2.gz PWNYHJTTXUOIIQ-IAGOWNOFSA-N 2 0 299.393 2.753 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000574489556 384103482 /nfs/dbraw/zinc/10/34/82/384103482.db2.gz LYRPMPASOPIFEU-QKPAOTATSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000574413357 384093040 /nfs/dbraw/zinc/09/30/40/384093040.db2.gz GCWOUPVPRXXKGK-FZKCQIBNSA-N 2 0 281.488 2.602 20 0 CFADRP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148609 412977034 /nfs/dbraw/zinc/97/70/34/412977034.db2.gz FNIHDALZJFEZIH-MRXNPFEDSA-N 2 0 295.858 2.628 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000574630390 384123541 /nfs/dbraw/zinc/12/35/41/384123541.db2.gz YXNQFGPSFLYRPY-GOSISDBHSA-N 2 0 272.436 2.905 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000266599568 384205666 /nfs/dbraw/zinc/20/56/66/384205666.db2.gz PXSGMXBQRXIUFQ-RHSMWYFYSA-N 2 0 294.414 2.523 20 0 CFADRP C[C@@H]1CCN(c2ccncc2F)C[C@@H]1n1ccnc1 ZINC000641435467 384191480 /nfs/dbraw/zinc/19/14/80/384191480.db2.gz IPWYYPWFJVGANA-RISCZKNCSA-N 2 0 260.316 2.505 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(C)cc2)C1 ZINC000266643964 384213629 /nfs/dbraw/zinc/21/36/29/384213629.db2.gz VLTFDOGYEBHNGH-QGZVFWFLSA-N 2 0 260.425 2.811 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccncc1N ZINC000641709164 384280587 /nfs/dbraw/zinc/28/05/87/384280587.db2.gz ZPELRKKUODWCKI-UHFFFAOYSA-N 2 0 298.434 2.795 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000641788768 384350830 /nfs/dbraw/zinc/35/08/30/384350830.db2.gz SZPWYKIRJBYRNG-DOTOQJQBSA-N 2 0 288.435 2.808 20 0 CFADRP c1ccc2c(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nsc2c1 ZINC000641799777 384367113 /nfs/dbraw/zinc/36/71/13/384367113.db2.gz SNDJUASTWYXINN-BETUJISGSA-N 2 0 287.432 2.728 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)o1 ZINC000641799922 384367218 /nfs/dbraw/zinc/36/72/18/384367218.db2.gz SVTUXXINCLMUEF-BZPMIXESSA-N 2 0 279.428 2.741 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cc2c1 ZINC000641801418 384368747 /nfs/dbraw/zinc/36/87/47/384368747.db2.gz QPVPUVVBDNHVRI-CVEARBPZSA-N 2 0 269.392 2.759 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(F)cc2cccnc21 ZINC000641801140 384369277 /nfs/dbraw/zinc/36/92/77/384369277.db2.gz AKXSOGHJBFCKAA-ZIAGYGMSSA-N 2 0 273.355 2.589 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000641801974 384370991 /nfs/dbraw/zinc/37/09/91/384370991.db2.gz WXCMAEAYLUHARH-NUEKZKHPSA-N 2 0 258.409 2.822 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nccnc3c2)[C@H](C)C1 ZINC000638113807 384426769 /nfs/dbraw/zinc/42/67/69/384426769.db2.gz DSYHBWJPNQXIAG-KDOFPFPSSA-N 2 0 298.434 2.792 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641807960 384375307 /nfs/dbraw/zinc/37/53/07/384375307.db2.gz WEFUOLGFIYDEFR-CHWSQXEVSA-N 2 0 250.411 2.624 20 0 CFADRP CC[NH+](CC)CCCNc1ccnc2ccncc21 ZINC000277694407 384376982 /nfs/dbraw/zinc/37/69/82/384376982.db2.gz DRSLONYBPNZWEX-UHFFFAOYSA-N 2 0 258.369 2.774 20 0 CFADRP Cc1nc(-c2ccccc2)oc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000641823074 384380824 /nfs/dbraw/zinc/38/08/24/384380824.db2.gz QAMNHRHIQLKXBY-SWLSCSKDSA-N 2 0 285.391 2.962 20 0 CFADRP Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1Cl ZINC000277737135 384390159 /nfs/dbraw/zinc/39/01/59/384390159.db2.gz PHXSTHKYPSSMSH-UHFFFAOYSA-N 2 0 264.800 3.000 20 0 CFADRP FCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000281131665 195117614 /nfs/dbraw/zinc/11/76/14/195117614.db2.gz TVIMOQWKDSOTTJ-IXDOHACOSA-N 2 0 276.399 2.846 20 0 CFADRP CC[C@@](C)(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000638120433 384433591 /nfs/dbraw/zinc/43/35/91/384433591.db2.gz DOWFDODGNMZJDC-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000638120096 384433844 /nfs/dbraw/zinc/43/38/44/384433844.db2.gz CYJOULDUWHBZQG-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000638123299 384436239 /nfs/dbraw/zinc/43/62/39/384436239.db2.gz QETRIBVBNFHLMQ-BBWFWOEESA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)C1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000638125510 384437359 /nfs/dbraw/zinc/43/73/59/384437359.db2.gz KEJUUAVNOASBPH-UHFFFAOYSA-N 2 0 294.483 2.999 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)[C@H](C)CC)C1 ZINC000638127222 384439039 /nfs/dbraw/zinc/43/90/39/384439039.db2.gz IJNXPIYBNCRVNR-OWCLPIDISA-N 2 0 270.461 2.711 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(Cl)c2)CCCO1 ZINC000277914966 384439180 /nfs/dbraw/zinc/43/91/80/384439180.db2.gz PPNCEEAKPLYSQG-AWEZNQCLSA-N 2 0 296.842 2.931 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2CCSCC2)C1 ZINC000638127794 384440190 /nfs/dbraw/zinc/44/01/90/384440190.db2.gz MEEREZDEUKGKEZ-HNNXBMFYSA-N 2 0 270.486 2.793 20 0 CFADRP CC(C)C1(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000638178106 384470822 /nfs/dbraw/zinc/47/08/22/384470822.db2.gz FNQDURLRYYYWMT-HRCADAONSA-N 2 0 280.456 2.606 20 0 CFADRP CC[C@](C)(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180271 384474677 /nfs/dbraw/zinc/47/46/77/384474677.db2.gz JVLIJKNSECFYMJ-HYVNUMGLSA-N 2 0 280.456 2.750 20 0 CFADRP c1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sn1 ZINC000638184211 384478490 /nfs/dbraw/zinc/47/84/90/384478490.db2.gz YBSMNUHAHMMQED-DOMZBBRYSA-N 2 0 277.437 2.592 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2ccsc2)cc1 ZINC000643056246 384487744 /nfs/dbraw/zinc/48/77/44/384487744.db2.gz XCNJRUQWEAYAGM-HNNXBMFYSA-N 2 0 290.432 2.931 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000643057134 384488211 /nfs/dbraw/zinc/48/82/11/384488211.db2.gz FGPOVMWKQVCQFI-PBHICJAKSA-N 2 0 274.408 2.919 20 0 CFADRP C[C@H]1c2ccc(F)cc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643058164 384488360 /nfs/dbraw/zinc/48/83/60/384488360.db2.gz JWJROZMPMTXRQJ-STQMWFEESA-N 2 0 262.372 2.744 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc2c(n1)CCCC2 ZINC000278180484 384492750 /nfs/dbraw/zinc/49/27/50/384492750.db2.gz BMECTSRZUIQFTE-HBUWYVDXSA-N 2 0 287.451 2.779 20 0 CFADRP c1csc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278295340 384521829 /nfs/dbraw/zinc/52/18/29/384521829.db2.gz CDICSTLMIUEPJI-UHFFFAOYSA-N 2 0 250.411 2.712 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)C1 ZINC000289336894 197301865 /nfs/dbraw/zinc/30/18/65/197301865.db2.gz WJKNYIWECDISFJ-SWLSCSKDSA-N 2 0 292.398 2.753 20 0 CFADRP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)nc(C2CC2)n1 ZINC000268150691 384545519 /nfs/dbraw/zinc/54/55/19/384545519.db2.gz MPEKKFMUKQEXFZ-YGRLFVJLSA-N 2 0 272.396 2.557 20 0 CFADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000638310295 384548999 /nfs/dbraw/zinc/54/89/99/384548999.db2.gz RSBHGOGWVZLQCP-GOSISDBHSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638294443 384538313 /nfs/dbraw/zinc/53/83/13/384538313.db2.gz QUXSQBFMXXMZDR-AWEZNQCLSA-N 2 0 276.424 2.573 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278423924 384569098 /nfs/dbraw/zinc/56/90/98/384569098.db2.gz IWHDPZNCAAVNTQ-AWEZNQCLSA-N 2 0 273.424 2.915 20 0 CFADRP CC(C)(C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)Oc1ccccc1 ZINC000638359082 384580460 /nfs/dbraw/zinc/58/04/60/384580460.db2.gz MGADQRDHHJKFSS-HNNXBMFYSA-N 2 0 288.435 2.918 20 0 CFADRP C[C@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000638360143 384582586 /nfs/dbraw/zinc/58/25/86/384582586.db2.gz PSPOJRIYAHBQSI-QGZVFWFLSA-N 2 0 295.515 2.820 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638338108 384567860 /nfs/dbraw/zinc/56/78/60/384567860.db2.gz RHSVGISPNFMPDN-QGZVFWFLSA-N 2 0 289.467 2.833 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638387393 384613810 /nfs/dbraw/zinc/61/38/10/384613810.db2.gz DKTSFSBPGBRICG-OAHLLOKOSA-N 2 0 290.451 2.881 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000643369476 384617495 /nfs/dbraw/zinc/61/74/95/384617495.db2.gz UURRJOHZYDOIBK-KRWDZBQOSA-N 2 0 276.424 2.533 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000643369477 384617822 /nfs/dbraw/zinc/61/78/22/384617822.db2.gz UURRJOHZYDOIBK-QGZVFWFLSA-N 2 0 276.424 2.533 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638408376 384630626 /nfs/dbraw/zinc/63/06/26/384630626.db2.gz ALMRXPIGZLYGQC-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)sn1 ZINC000638366265 384593362 /nfs/dbraw/zinc/59/33/62/384593362.db2.gz MISMEEKDRIGFSL-CYBMUJFWSA-N 2 0 297.468 2.753 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000643344994 384597959 /nfs/dbraw/zinc/59/79/59/384597959.db2.gz FWXGKTPPMQZRLC-WBVHZDCISA-N 2 0 287.451 2.651 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000643497346 384663333 /nfs/dbraw/zinc/66/33/33/384663333.db2.gz ISNVEBCYQQBIOR-NSHDSACASA-N 2 0 260.372 2.790 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H](NCC[NH2+]C1CC1)CCCO2 ZINC000643507299 384676592 /nfs/dbraw/zinc/67/65/92/384676592.db2.gz YLSFMKZYAGBIRM-MRXNPFEDSA-N 2 0 274.408 2.859 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000643503460 384674018 /nfs/dbraw/zinc/67/40/18/384674018.db2.gz BGPZPQCKMYXOAU-NFOMZHRRSA-N 2 0 289.423 2.572 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000643457104 384636757 /nfs/dbraw/zinc/63/67/57/384636757.db2.gz VSVVDQWMLHLBGQ-NVXWUHKLSA-N 2 0 260.425 2.966 20 0 CFADRP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000643456576 384637100 /nfs/dbraw/zinc/63/71/00/384637100.db2.gz JGMOXDXVEPOGMT-UHFFFAOYSA-N 2 0 272.314 2.590 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000643457305 384637238 /nfs/dbraw/zinc/63/72/38/384637238.db2.gz UIVFFCUPEAOQGL-VJFUWPCTSA-N 2 0 298.434 2.732 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000643457522 384640790 /nfs/dbraw/zinc/64/07/90/384640790.db2.gz IKZOWHHPWBEGQH-QWHCGFSZSA-N 2 0 264.413 2.688 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000643466878 384646481 /nfs/dbraw/zinc/64/64/81/384646481.db2.gz YCUPCHXVBXAOQS-KKUMJFAQSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000643468306 384647994 /nfs/dbraw/zinc/64/79/94/384647994.db2.gz NMMUCCBJZQSKBQ-RPVQJOFSSA-N 2 0 286.419 2.878 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000643468071 384648043 /nfs/dbraw/zinc/64/80/43/384648043.db2.gz QGEGPAMOTHRWSJ-CXAGYDPISA-N 2 0 258.409 2.968 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000643474139 384652023 /nfs/dbraw/zinc/65/20/23/384652023.db2.gz GJCJSJVOJMFHEO-ORBLRFAASA-N 2 0 282.472 2.971 20 0 CFADRP Cc1occc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643472172 384652214 /nfs/dbraw/zinc/65/22/14/384652214.db2.gz CXNFUHLMFOMIOX-SJLPKXTDSA-N 2 0 298.386 2.934 20 0 CFADRP Cc1occc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000643472345 384652326 /nfs/dbraw/zinc/65/23/26/384652326.db2.gz ZLUTXTAIVKNOCW-JTQLQIEISA-N 2 0 259.353 2.601 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643478070 384654559 /nfs/dbraw/zinc/65/45/59/384654559.db2.gz SATMMKWQZZECJU-GJZGRUSLSA-N 2 0 260.425 2.899 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000643477977 384654740 /nfs/dbraw/zinc/65/47/40/384654740.db2.gz KLJMHZYAKOGUQU-GRDNDAEWSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000643477926 384654835 /nfs/dbraw/zinc/65/48/35/384654835.db2.gz BRBRZLKAUZPBMN-IIDMSEBBSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(CO)cc1 ZINC000643478203 384656438 /nfs/dbraw/zinc/65/64/38/384656438.db2.gz CGXAQECSYBZFNK-QAPCUYQASA-N 2 0 290.451 2.622 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000643488909 384658557 /nfs/dbraw/zinc/65/85/57/384658557.db2.gz LHKDMHLVHSENQL-HUUCEWRRSA-N 2 0 273.424 2.610 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CS1 ZINC000638445579 384660483 /nfs/dbraw/zinc/66/04/83/384660483.db2.gz OPCUZVJTRABTDE-UKRRQHHQSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CS1 ZINC000638445580 384660968 /nfs/dbraw/zinc/66/09/68/384660968.db2.gz OPCUZVJTRABTDE-ZFWWWQNUSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638446395 384662312 /nfs/dbraw/zinc/66/23/12/384662312.db2.gz WNYHMYCPUVZVCN-GXTWGEPZSA-N 2 0 298.377 2.760 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643547943 384728046 /nfs/dbraw/zinc/72/80/46/384728046.db2.gz HVICXHCKZUTOGN-HPFXQQBRSA-N 2 0 270.420 2.960 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC[NH2+]C2CC2)C3)cc1 ZINC000643507810 384679170 /nfs/dbraw/zinc/67/91/70/384679170.db2.gz PVXATCROAQJZLT-REPLKXPHSA-N 2 0 299.462 2.524 20 0 CFADRP [NH3+][C@@H](CN[C@H]1CCCc2cccnc21)c1ccccc1 ZINC000643509069 384680584 /nfs/dbraw/zinc/68/05/84/384680584.db2.gz IVMIBWPTTMBGPG-HOTGVXAUSA-N 2 0 267.376 2.749 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000643509284 384680884 /nfs/dbraw/zinc/68/08/84/384680884.db2.gz USOGKGWZDUWQTK-CHWSQXEVSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000643512157 384682023 /nfs/dbraw/zinc/68/20/23/384682023.db2.gz WTLRAUVKNOQLES-DZKIICNBSA-N 2 0 261.413 2.867 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000643510397 384682529 /nfs/dbraw/zinc/68/25/29/384682529.db2.gz KGJICQMUAQYHIR-CHWSQXEVSA-N 2 0 252.427 2.658 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCc3ccccc3C2)CC[NH2+]CC1 ZINC000643518352 384684133 /nfs/dbraw/zinc/68/41/33/384684133.db2.gz YVIRXLSALPUWDZ-QGZVFWFLSA-N 2 0 272.436 2.913 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(C)s1 ZINC000643518197 384684879 /nfs/dbraw/zinc/68/48/79/384684879.db2.gz ZSWQGUXVIRJBQQ-JTQLQIEISA-N 2 0 267.442 2.800 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522407 384688416 /nfs/dbraw/zinc/68/84/16/384688416.db2.gz MTXVNQBXGAYNPK-ABAIWWIYSA-N 2 0 266.335 2.684 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522654 384688570 /nfs/dbraw/zinc/68/85/70/384688570.db2.gz QZUBVZQIFDTRBN-QZTJIDSGSA-N 2 0 290.451 2.960 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522613 384688961 /nfs/dbraw/zinc/68/89/61/384688961.db2.gz QFSRFRPCZNZKRC-HOCLYGCPSA-N 2 0 276.449 2.749 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522408 384689359 /nfs/dbraw/zinc/68/93/59/384689359.db2.gz MTXVNQBXGAYNPK-IAQYHMDHSA-N 2 0 266.335 2.684 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000643522600 384689781 /nfs/dbraw/zinc/68/97/81/384689781.db2.gz PVGOSLRZPXKCBF-OIISXLGYSA-N 2 0 288.435 2.964 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[C@@H]([C@H]3CCOC3)C1)CC[NH2+]2 ZINC000643548135 384726596 /nfs/dbraw/zinc/72/65/96/384726596.db2.gz MXPFIXKXQJDJIL-LTIDMASMSA-N 2 0 292.467 2.846 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643522351 384689849 /nfs/dbraw/zinc/68/98/49/384689849.db2.gz LYNGXSHUFYFVRD-CZUORRHYSA-N 2 0 260.381 2.501 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523293 384690992 /nfs/dbraw/zinc/69/09/92/384690992.db2.gz ZOBCYGZEJQYOSY-CZUORRHYSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522870 384691698 /nfs/dbraw/zinc/69/16/98/384691698.db2.gz UCVBHIVXBNSMQV-CJNGLKHVSA-N 2 0 290.407 2.641 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000643523902 384691926 /nfs/dbraw/zinc/69/19/26/384691926.db2.gz MKXITHQGHSLRLO-MJBXVCDLSA-N 2 0 262.397 2.924 20 0 CFADRP CC[C@H](NC[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643525689 384693020 /nfs/dbraw/zinc/69/30/20/384693020.db2.gz AXEPIHVAOWPCAK-SKDRFNHKSA-N 2 0 271.202 2.837 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000643524791 384693980 /nfs/dbraw/zinc/69/39/80/384693980.db2.gz IILJADBOQFYAJF-NKZPBKNFSA-N 2 0 266.335 2.540 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000643526279 384696327 /nfs/dbraw/zinc/69/63/27/384696327.db2.gz XOKUEBSFWVQYGW-XOKHGSTOSA-N 2 0 258.409 2.664 20 0 CFADRP COC[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000423123038 533084309 /nfs/dbraw/zinc/08/43/09/533084309.db2.gz LRZZYAFGNAJLMV-NRXISQOPSA-N 2 0 282.815 2.887 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccncc1 ZINC000643547423 384726943 /nfs/dbraw/zinc/72/69/43/384726943.db2.gz FFXSGXGGZQDJOB-LSDHHAIUSA-N 2 0 259.397 2.797 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000643529598 384704470 /nfs/dbraw/zinc/70/44/70/384704470.db2.gz FKRHGYCQAHDICI-HZMBPMFUSA-N 2 0 297.240 2.707 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533940 384705315 /nfs/dbraw/zinc/70/53/15/384705315.db2.gz IKYZPVFIYPQYLA-DZGCQCFKSA-N 2 0 274.433 2.955 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000643533825 384705730 /nfs/dbraw/zinc/70/57/30/384705730.db2.gz FTAWEZQCKZHGPY-WCQYABFASA-N 2 0 250.411 2.931 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000643533826 384705895 /nfs/dbraw/zinc/70/58/95/384705895.db2.gz FTAWEZQCKZHGPY-YPMHNXCESA-N 2 0 250.411 2.931 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535009 384707154 /nfs/dbraw/zinc/70/71/54/384707154.db2.gz HHOLLVXMCKKCFP-WCQYABFASA-N 2 0 291.464 2.815 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534678 384707528 /nfs/dbraw/zinc/70/75/28/384707528.db2.gz ZZZUDNZBWCRQKZ-CJNGLKHVSA-N 2 0 274.408 2.796 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1F ZINC000643534538 384707584 /nfs/dbraw/zinc/70/75/84/384707584.db2.gz XJAYGHGSYCRHPN-ABAIWWIYSA-N 2 0 278.371 2.627 20 0 CFADRP c1ccc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643535445 384709188 /nfs/dbraw/zinc/70/91/88/384709188.db2.gz MNRORNOUHSXFDL-HZPDHXFCSA-N 2 0 256.393 2.869 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535153 384709792 /nfs/dbraw/zinc/70/97/92/384709792.db2.gz JPTOPOMNNVGMEE-WBVHZDCISA-N 2 0 286.419 2.940 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536575 384711122 /nfs/dbraw/zinc/71/11/22/384711122.db2.gz SDSCTHIZIPKYKC-ZBFHGGJFSA-N 2 0 290.382 2.553 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc21 ZINC000643536404 384711355 /nfs/dbraw/zinc/71/13/55/384711355.db2.gz QLCHADCNASISNP-KCXAZCMYSA-N 2 0 256.393 2.967 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1N(C)C ZINC000643536265 384711721 /nfs/dbraw/zinc/71/17/21/384711721.db2.gz SESGVIOEPWMWTK-XJKSGUPXSA-N 2 0 273.424 2.545 20 0 CFADRP c1c[nH]c([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CCCCC2)n1 ZINC000643536826 384711891 /nfs/dbraw/zinc/71/18/91/384711891.db2.gz WIYWSXXGSNRNLS-HUUCEWRRSA-N 2 0 288.439 2.763 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548954 384727636 /nfs/dbraw/zinc/72/76/36/384727636.db2.gz XXQDXJCRRKOMHS-RBSFLKMASA-N 2 0 280.456 2.843 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000643542743 384722357 /nfs/dbraw/zinc/72/23/57/384722357.db2.gz RJOOYXISOZDIEF-VPJDZLOFSA-N 2 0 266.335 2.669 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)n1 ZINC000643549096 384729162 /nfs/dbraw/zinc/72/91/62/384729162.db2.gz AAMXQLZHJMCZGH-ZJIFWQFVSA-N 2 0 273.424 2.737 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000643549113 384729287 /nfs/dbraw/zinc/72/92/87/384729287.db2.gz BAZCWSGXIQBMDW-ZSYWTGECSA-N 2 0 284.447 2.912 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000643549095 384729701 /nfs/dbraw/zinc/72/97/01/384729701.db2.gz AAMXQLZHJMCZGH-YHUYYLMFSA-N 2 0 273.424 2.737 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)n1 ZINC000643549094 384729714 /nfs/dbraw/zinc/72/97/14/384729714.db2.gz AAMXQLZHJMCZGH-XUWVNRHRSA-N 2 0 273.424 2.737 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566452 384746396 /nfs/dbraw/zinc/74/63/96/384746396.db2.gz JLIKVQQFQSTGNW-ARFHVFGLSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCC(C)(C)CC2)CC1 ZINC000638675430 384828860 /nfs/dbraw/zinc/82/88/60/384828860.db2.gz FHMTVOMZGSVYBN-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1ccncc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269607163 384801927 /nfs/dbraw/zinc/80/19/27/384801927.db2.gz AGEOBVRYEWWQIH-YJBOKZPZSA-N 2 0 285.435 2.839 20 0 CFADRP CCC[NH+]1CCC(N(C)Cc2cnccc2C)CC1 ZINC000269623179 384809126 /nfs/dbraw/zinc/80/91/26/384809126.db2.gz NZKSNGKCYAAINQ-UHFFFAOYSA-N 2 0 261.413 2.696 20 0 CFADRP CC(C)C1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000638752604 384890086 /nfs/dbraw/zinc/89/00/86/384890086.db2.gz ZLRWZTOZJOXUBM-SJORKVTESA-N 2 0 294.483 2.780 20 0 CFADRP COc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422561940 533097657 /nfs/dbraw/zinc/09/76/57/533097657.db2.gz OKSBFNRHMQHHEX-UTUOFQBUSA-N 2 0 268.426 2.562 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000269956419 384918801 /nfs/dbraw/zinc/91/88/01/384918801.db2.gz KIIHLOHNIBQAMZ-QZTJIDSGSA-N 2 0 295.430 2.994 20 0 CFADRP CC[C@H](C(=O)Nc1cc(-c2ncc[nH]2)ccc1C)[NH+](C)C ZINC000280239481 384939350 /nfs/dbraw/zinc/93/93/50/384939350.db2.gz OVLDYDFYASOQEP-CQSZACIVSA-N 2 0 286.379 2.664 20 0 CFADRP CC[C@@](C)(C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000638837412 384970118 /nfs/dbraw/zinc/97/01/18/384970118.db2.gz STLMZVIMMWWKNA-KRWDZBQOSA-N 2 0 291.439 2.703 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CS1 ZINC000638851404 384986779 /nfs/dbraw/zinc/98/67/79/384986779.db2.gz KFBJJZJTJFSYEI-SWLSCSKDSA-N 2 0 264.438 2.732 20 0 CFADRP CC(C)O[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000644690524 385002344 /nfs/dbraw/zinc/00/23/44/385002344.db2.gz UDOOWGBBICDBEV-KSZLIROESA-N 2 0 288.435 2.646 20 0 CFADRP C[C@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000638879286 385012405 /nfs/dbraw/zinc/01/24/05/385012405.db2.gz WMHFUXXUBGTFGI-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(C)cc(OCCN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000644784196 385057894 /nfs/dbraw/zinc/05/78/94/385057894.db2.gz VKVBSCXBSYVAIL-GOSISDBHSA-N 2 0 288.435 2.710 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638969383 385061658 /nfs/dbraw/zinc/06/16/58/385061658.db2.gz GONNDFPLONBIRD-ZOBUZTSGSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C ZINC000639044982 385120242 /nfs/dbraw/zinc/12/02/42/385120242.db2.gz RYZGVZVUKGZAIB-IIAWOOMASA-N 2 0 282.472 2.636 20 0 CFADRP COCC1(C[NH2+]CC2(C[NH+](C)C)CCCC2)CCC1 ZINC000639045890 385122095 /nfs/dbraw/zinc/12/20/95/385122095.db2.gz DXLWUMCKDBAXCL-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1O ZINC000639095316 385182013 /nfs/dbraw/zinc/18/20/13/385182013.db2.gz ZLWSVWOKSDFLKA-GDBMZVCRSA-N 2 0 276.424 2.624 20 0 CFADRP Cc1nccn1CCN(C)Cc1nc2ccccc2s1 ZINC000270696341 385195113 /nfs/dbraw/zinc/19/51/13/385195113.db2.gz ZAGMPXGZAPUMGD-UHFFFAOYSA-N 2 0 286.404 2.933 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)OC ZINC000639108803 385202319 /nfs/dbraw/zinc/20/23/19/385202319.db2.gz LLSBEFPJJJBXFX-CJNGLKHVSA-N 2 0 268.445 2.512 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280805657 385160317 /nfs/dbraw/zinc/16/03/17/385160317.db2.gz ISMNCQOIUDTOML-CVEARBPZSA-N 2 0 259.397 2.607 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)C1CCCC1 ZINC000639082105 385161855 /nfs/dbraw/zinc/16/18/55/385161855.db2.gz OIVLWHSCMRMMSO-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000270616715 385164379 /nfs/dbraw/zinc/16/43/79/385164379.db2.gz JEWJZGQNWHWHIQ-JARUQAPTSA-N 2 0 296.480 2.878 20 0 CFADRP COCC[C@H](C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423169696 285157261 /nfs/dbraw/zinc/15/72/61/285157261.db2.gz KDXAOTAHPLJSOX-SOUVJXGZSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CC1CCSCC1 ZINC000639190290 385304459 /nfs/dbraw/zinc/30/44/59/385304459.db2.gz SZICVQPPRHGEQH-ZFWWWQNUSA-N 2 0 268.470 2.688 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)C[C@](C)(OC)C1CC1 ZINC000639175751 385282528 /nfs/dbraw/zinc/28/25/28/385282528.db2.gz PKTMWYOYSJGRJE-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000639177322 385286472 /nfs/dbraw/zinc/28/64/72/385286472.db2.gz RTSLZAVUZXMTES-QZTJIDSGSA-N 2 0 294.483 2.855 20 0 CFADRP COc1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000639209739 385333108 /nfs/dbraw/zinc/33/31/08/385333108.db2.gz DCQMNHVVYONERK-UHFFFAOYSA-N 2 0 283.441 2.507 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCCC2(C)C)CC1 ZINC000639211445 385333928 /nfs/dbraw/zinc/33/39/28/385333928.db2.gz UWZJEQRKUPJAJY-AWEZNQCLSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@@H](C)c1cscn1 ZINC000271125036 385342564 /nfs/dbraw/zinc/34/25/64/385342564.db2.gz KHYVASPDESGAEO-NSHDSACASA-N 2 0 264.398 2.779 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]CC1CCSCC1 ZINC000639230727 385358755 /nfs/dbraw/zinc/35/87/55/385358755.db2.gz FHKPXYNYGVPCRZ-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)OC ZINC000639231832 385360355 /nfs/dbraw/zinc/36/03/55/385360355.db2.gz TZPVYDKZWLGHIP-UONOGXRCSA-N 2 0 258.450 2.758 20 0 CFADRP CCC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCC1 ZINC000639258557 385388312 /nfs/dbraw/zinc/38/83/12/385388312.db2.gz JVULSBUIPRDHAG-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271919236 385399951 /nfs/dbraw/zinc/39/99/51/385399951.db2.gz ZPZUUVTYFNGEJY-HNNXBMFYSA-N 2 0 288.435 2.868 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271919238 385400073 /nfs/dbraw/zinc/40/00/73/385400073.db2.gz ZPZUUVTYFNGEJY-OAHLLOKOSA-N 2 0 288.435 2.868 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271917324 385400689 /nfs/dbraw/zinc/40/06/89/385400689.db2.gz ZFIYCPXTGVFSNX-GOSISDBHSA-N 2 0 286.419 2.924 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282913554 385410224 /nfs/dbraw/zinc/41/02/24/385410224.db2.gz GQXUUHQZNKNDNF-NVXWUHKLSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639292045 385420120 /nfs/dbraw/zinc/42/01/20/385420120.db2.gz YWMMWRIQFYJTED-DZGCQCFKSA-N 2 0 282.472 2.636 20 0 CFADRP Cn1c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc2ccccc21 ZINC000639311936 385438430 /nfs/dbraw/zinc/43/84/30/385438430.db2.gz ICNMAZFRVFRPTQ-OTVXOJSOSA-N 2 0 271.408 2.608 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC1(F)F ZINC000639302302 385429041 /nfs/dbraw/zinc/42/90/41/385429041.db2.gz LHSMUSJVKIVHLS-RVMXOQNASA-N 2 0 258.356 2.637 20 0 CFADRP CC(C)C1(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000639304116 385431751 /nfs/dbraw/zinc/43/17/51/385431751.db2.gz XEGHWBXOSYJNLU-UHFFFAOYSA-N 2 0 294.483 2.903 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000283111380 385437661 /nfs/dbraw/zinc/43/76/61/385437661.db2.gz MOXDUTZJPBDCDH-IAGOWNOFSA-N 2 0 276.424 2.790 20 0 CFADRP c1cnn(C2CC([NH2+]C[C@H]3CCN3C3CCCCC3)C2)c1 ZINC000639345832 385470034 /nfs/dbraw/zinc/47/00/34/385470034.db2.gz OVWNXIRGLZPYTE-ARWYELJZSA-N 2 0 288.439 2.583 20 0 CFADRP Cc1n[nH]cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212324 385476081 /nfs/dbraw/zinc/47/60/81/385476081.db2.gz QGXNNHBKORBYLG-PBHICJAKSA-N 2 0 298.434 2.718 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000639360529 385481570 /nfs/dbraw/zinc/48/15/70/385481570.db2.gz XEIDPNRWOIHTFE-NUJGCVRESA-N 2 0 290.451 2.627 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000639335868 385461275 /nfs/dbraw/zinc/46/12/75/385461275.db2.gz YKCOROUDHLPKOD-WFASDCNBSA-N 2 0 268.470 2.592 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)CC(C)C ZINC000639335536 385461451 /nfs/dbraw/zinc/46/14/51/385461451.db2.gz TWLDKAFVYALRIB-KRWDZBQOSA-N 2 0 282.472 2.759 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@](C)(OC)C2CC2)CC1 ZINC000639377678 385495491 /nfs/dbraw/zinc/49/54/91/385495491.db2.gz GHDBNYJCIVLQHH-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000639450830 385537068 /nfs/dbraw/zinc/53/70/68/385537068.db2.gz BPNOXAXQYCASRA-SJLPKXTDSA-N 2 0 294.483 2.999 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000284025851 385526446 /nfs/dbraw/zinc/52/64/46/385526446.db2.gz JAGYUDVZHZYIOW-ZDUSSCGKSA-N 2 0 272.396 2.712 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccnc2Cl)CC1 ZINC000272611144 385575763 /nfs/dbraw/zinc/57/57/63/385575763.db2.gz URXOIKXFODCYTB-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP CC[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572557 385566391 /nfs/dbraw/zinc/56/63/91/385566391.db2.gz INLCTDRIUPYPKY-JQHSSLGASA-N 2 0 290.451 2.648 20 0 CFADRP COCC1(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCC1 ZINC000423134308 533130479 /nfs/dbraw/zinc/13/04/79/533130479.db2.gz LVRWTEXAZDNTJS-CVEARBPZSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000639546177 385579074 /nfs/dbraw/zinc/57/90/74/385579074.db2.gz JOJIDBUQNHIOQK-SJLPKXTDSA-N 2 0 294.483 2.999 20 0 CFADRP CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272700093 385591819 /nfs/dbraw/zinc/59/18/19/385591819.db2.gz YIDVCNLOYHYVLL-JQHSSLGASA-N 2 0 290.451 2.648 20 0 CFADRP CC[C@H]1CN(Cc2ccc(OC)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000122262007 413006065 /nfs/dbraw/zinc/00/60/65/413006065.db2.gz CQQWJQITIVNRIR-JSGCOSHPSA-N 2 0 282.815 2.908 20 0 CFADRP Cc1cc(C)c(CN(C)CC2([NH+](C)C)CCC2)c(C)n1 ZINC000639603293 385607856 /nfs/dbraw/zinc/60/78/56/385607856.db2.gz MWDASDBHLLCAAX-UHFFFAOYSA-N 2 0 275.440 2.923 20 0 CFADRP CC[C@](C)(CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272873616 385637515 /nfs/dbraw/zinc/63/75/15/385637515.db2.gz WOZRQWVFOVEMAQ-RYQLBKOJSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000639659635 385643191 /nfs/dbraw/zinc/64/31/91/385643191.db2.gz AGCILRUTSUJDNS-DOTOQJQBSA-N 2 0 288.435 2.666 20 0 CFADRP O[C@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000286564209 385651300 /nfs/dbraw/zinc/65/13/00/385651300.db2.gz VNLWKXSPUHFUCE-FUHWJXTLSA-N 2 0 288.435 2.528 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc([S@](C)=O)cc1 ZINC000272933462 385658428 /nfs/dbraw/zinc/65/84/28/385658428.db2.gz KEYLMBBPVPDBKU-AGKSTNPPSA-N 2 0 294.464 2.559 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000639755440 385697623 /nfs/dbraw/zinc/69/76/23/385697623.db2.gz LHVFGSXDRXEZHA-UHFFFAOYSA-N 2 0 296.418 2.548 20 0 CFADRP COCC1(C[NH2+]C2CCC(C(C)C)CC2)CC[NH2+]CC1 ZINC000414979285 533140884 /nfs/dbraw/zinc/14/08/84/533140884.db2.gz UKGCXPQJDYHUQS-UHFFFAOYSA-N 2 0 282.472 2.807 20 0 CFADRP Cc1nccn1CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000287089871 385778189 /nfs/dbraw/zinc/77/81/89/385778189.db2.gz WZGNDHFMXWAELR-OAHLLOKOSA-N 2 0 293.798 2.558 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2cncc(F)c2)CC1 ZINC000275129808 385939955 /nfs/dbraw/zinc/93/99/55/385939955.db2.gz LTMWYIDVGDHZJF-UHFFFAOYSA-N 2 0 265.376 2.525 20 0 CFADRP COc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000276948317 386088077 /nfs/dbraw/zinc/08/80/77/386088077.db2.gz IJJGRENENAYURB-HNNXBMFYSA-N 2 0 291.439 2.834 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423472838 533161680 /nfs/dbraw/zinc/16/16/80/533161680.db2.gz NJPNFUXXMZMVKY-KFNAQCHYSA-N 2 0 292.398 2.929 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000124591071 413014687 /nfs/dbraw/zinc/01/46/87/413014687.db2.gz VKTCLHQKQGLVDA-CMPLNLGQSA-N 2 0 270.323 2.600 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000415090876 533171522 /nfs/dbraw/zinc/17/15/22/533171522.db2.gz PNYIVTASEXKLNE-AVGNSLFASA-N 2 0 280.387 2.873 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000423325073 533175555 /nfs/dbraw/zinc/17/55/55/533175555.db2.gz PYDLBQGEIUCMAT-XUJVJEKNSA-N 2 0 292.423 2.523 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423392224 533176662 /nfs/dbraw/zinc/17/66/62/533176662.db2.gz LMEKXHGJZONKBK-QDEZUTFSSA-N 2 0 276.424 2.775 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414902928 533185400 /nfs/dbraw/zinc/18/54/00/533185400.db2.gz YXODTCDNBULCAZ-ZDUSSCGKSA-N 2 0 285.391 2.584 20 0 CFADRP Fc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093450897 184676355 /nfs/dbraw/zinc/67/63/55/184676355.db2.gz LOTDKLNWBGYSDR-UAGQMJEPSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000235367123 297398932 /nfs/dbraw/zinc/39/89/32/297398932.db2.gz RFSWVHIYSYJFKO-GHMZBOCLSA-N 2 0 264.335 2.649 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000129171555 413027424 /nfs/dbraw/zinc/02/74/24/413027424.db2.gz HEMXGYRZRAUPLN-ZYHUDNBSSA-N 2 0 253.415 2.553 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000132098600 413036499 /nfs/dbraw/zinc/03/64/99/413036499.db2.gz KBXOUKIHRUYAPH-UONOGXRCSA-N 2 0 273.405 2.728 20 0 CFADRP Fc1cccc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000094021431 184750055 /nfs/dbraw/zinc/75/00/55/184750055.db2.gz MMNZMNRBHDFHLI-UHFFFAOYSA-N 2 0 262.372 2.790 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccnn1C ZINC000682645266 542575367 /nfs/dbraw/zinc/57/53/67/542575367.db2.gz FPQYJQXFKVOWFS-MRXNPFEDSA-N 2 0 292.471 2.622 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423547962 285389868 /nfs/dbraw/zinc/38/98/68/285389868.db2.gz QQVHRVPUEIDAMG-LUXYFRNMSA-N 2 0 286.419 2.747 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)sn1 ZINC000682672570 542578220 /nfs/dbraw/zinc/57/82/20/542578220.db2.gz FAHZCRNWWGYIRI-NSHDSACASA-N 2 0 262.382 2.554 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000158209071 285399211 /nfs/dbraw/zinc/39/92/11/285399211.db2.gz ACPXHMXDVYSGOU-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423204411 533313605 /nfs/dbraw/zinc/31/36/05/533313605.db2.gz AOWLRYRWKUFPTB-JMSVASOKSA-N 2 0 292.398 2.799 20 0 CFADRP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000414234069 533355210 /nfs/dbraw/zinc/35/52/10/533355210.db2.gz SGTJQTRCHMWHDJ-XJKSGUPXSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423474396 533388926 /nfs/dbraw/zinc/38/89/26/533388926.db2.gz HHCLAKQVJFKUJZ-DYVFJYSZSA-N 2 0 274.408 2.900 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422793691 533385119 /nfs/dbraw/zinc/38/51/19/533385119.db2.gz XMVXSARVQWHZHC-ZBFHGGJFSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CN[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422730190 533322250 /nfs/dbraw/zinc/32/22/50/533322250.db2.gz LTFNEADXZOZOFX-BFYDXBDKSA-N 2 0 289.467 2.846 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422730191 533323705 /nfs/dbraw/zinc/32/37/05/533323705.db2.gz LTFNEADXZOZOFX-HLLBOEOZSA-N 2 0 289.467 2.846 20 0 CFADRP COc1c(O)cccc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414816052 533444186 /nfs/dbraw/zinc/44/41/86/533444186.db2.gz ZBZXHHOEVAFPFG-GFCCVEGCSA-N 2 0 286.375 2.710 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423243934 533403114 /nfs/dbraw/zinc/40/31/14/533403114.db2.gz GUZQBKLASFIAOR-HUUCEWRRSA-N 2 0 298.434 2.737 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423239205 533404410 /nfs/dbraw/zinc/40/44/10/533404410.db2.gz AYMMRFGPZRICRM-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000422784678 533408579 /nfs/dbraw/zinc/40/85/79/533408579.db2.gz QCWKUAUMGUKVPB-SCRDCRAPSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cc1OC(F)F ZINC000423294866 533408845 /nfs/dbraw/zinc/40/88/45/533408845.db2.gz CZJQJCPLGFXGMD-DTWKUNHWSA-N 2 0 276.302 2.673 20 0 CFADRP C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422891149 533410090 /nfs/dbraw/zinc/41/00/90/533410090.db2.gz KDOXYWKIWAARCF-OIISXLGYSA-N 2 0 281.488 2.617 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423172798 533410961 /nfs/dbraw/zinc/41/09/61/533410961.db2.gz VIJNRKROQIOSPX-JHJVBQTASA-N 2 0 250.386 2.780 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422744670 533476798 /nfs/dbraw/zinc/47/67/98/533476798.db2.gz WKPSRBJGAUAWRI-IRXDYDNUSA-N 2 0 276.424 2.877 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000422735064 533504012 /nfs/dbraw/zinc/50/40/12/533504012.db2.gz UKRVQHYVTSZHHG-SCRDCRAPSA-N 2 0 250.361 2.864 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000423013836 533508352 /nfs/dbraw/zinc/50/83/52/533508352.db2.gz NLLYGRUGFVDWPE-VYDXJSESSA-N 2 0 298.434 2.580 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1O ZINC000426423593 533512648 /nfs/dbraw/zinc/51/26/48/533512648.db2.gz ZFNZSNMMEJHTDO-KBPBESRZSA-N 2 0 294.439 2.652 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415010405 533538963 /nfs/dbraw/zinc/53/89/63/533538963.db2.gz GJTAOEDJYYJEKP-STQMWFEESA-N 2 0 295.402 2.650 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000414672678 533539785 /nfs/dbraw/zinc/53/97/85/533539785.db2.gz BFFATNBKRZIAON-UONOGXRCSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000422790976 533553950 /nfs/dbraw/zinc/55/39/50/533553950.db2.gz CPAIBFGYFBQQLV-RYUDHWBXSA-N 2 0 270.804 2.824 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422883901 533554117 /nfs/dbraw/zinc/55/41/17/533554117.db2.gz DETHGDKGODFZOA-ZDUSSCGKSA-N 2 0 259.397 2.818 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422890878 533554749 /nfs/dbraw/zinc/55/47/49/533554749.db2.gz JEQZTLQRPBIXIH-HNNXBMFYSA-N 2 0 290.455 2.679 20 0 CFADRP CC[NH+](CC)Cc1cc(OC)ccc1C1=CC[NH2+]C1 ZINC001243116478 781994949 /nfs/dbraw/zinc/99/49/49/781994949.db2.gz UNSBZAAUIUSCCX-UHFFFAOYSA-N 2 0 260.381 2.524 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422915958 533656864 /nfs/dbraw/zinc/65/68/64/533656864.db2.gz CAWGDQDYCXGDIV-SJORKVTESA-N 2 0 292.423 2.714 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422915953 533658015 /nfs/dbraw/zinc/65/80/15/533658015.db2.gz CAWGDQDYCXGDIV-DLBZAZTESA-N 2 0 292.423 2.714 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc12 ZINC000414826334 533662781 /nfs/dbraw/zinc/66/27/81/533662781.db2.gz FMOWFWVDLYTZAR-CQSZACIVSA-N 2 0 284.403 2.938 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414854881 533663125 /nfs/dbraw/zinc/66/31/25/533663125.db2.gz VEYYDUKYZIWVHP-LBPRGKRZSA-N 2 0 282.815 2.828 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758474 130026091 /nfs/dbraw/zinc/02/60/91/130026091.db2.gz PSKHUBPVCLMNIQ-LSDHHAIUSA-N 2 0 278.444 2.725 20 0 CFADRP COc1cc(F)c([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1OC ZINC000341879510 130105420 /nfs/dbraw/zinc/10/54/20/130105420.db2.gz TUWAABDIUNZDCW-GFCCVEGCSA-N 2 0 298.402 2.835 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000341880404 130105568 /nfs/dbraw/zinc/10/55/68/130105568.db2.gz WFZXAIATXROHOR-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCCCF)C1 ZINC000341879640 130106150 /nfs/dbraw/zinc/10/61/50/130106150.db2.gz CBFACPNMKTZIIN-OAHLLOKOSA-N 2 0 256.409 2.790 20 0 CFADRP c1cc2c(c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c1)NCC2 ZINC000262045733 285446750 /nfs/dbraw/zinc/44/67/50/285446750.db2.gz CHKVFUQXHXHRFE-UHFFFAOYSA-N 2 0 299.462 2.962 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000191657485 130272655 /nfs/dbraw/zinc/27/26/55/130272655.db2.gz IKTUTRZTKIAEJO-RRFJBIMHSA-N 2 0 294.439 2.701 20 0 CFADRP FC(F)[C@H]1C[C@@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000342185260 130319904 /nfs/dbraw/zinc/31/99/04/130319904.db2.gz CFGJWLMFFAWDDM-QWRGUYRKSA-N 2 0 269.320 2.677 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000355647626 130328695 /nfs/dbraw/zinc/32/86/95/130328695.db2.gz HYDBZSJPEPJUMF-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP CC/C=C\CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000342224227 130395686 /nfs/dbraw/zinc/39/56/86/130395686.db2.gz VIEUKNXXHVEODX-ARJAWSKDSA-N 2 0 280.456 2.777 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000683140758 542645547 /nfs/dbraw/zinc/64/55/47/542645547.db2.gz FMYQVALZHJJXMX-MRXNPFEDSA-N 2 0 290.455 2.696 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246228221 131092758 /nfs/dbraw/zinc/09/27/58/131092758.db2.gz MFQIGTVQTFORKW-JKIFEVAISA-N 2 0 278.415 2.995 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC000249330938 131120646 /nfs/dbraw/zinc/12/06/46/131120646.db2.gz WFTRNIMWEPNYCE-JOCBIADPSA-N 2 0 289.467 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(F)c2)C1 ZINC000249381870 131121316 /nfs/dbraw/zinc/12/13/16/131121316.db2.gz RVQKJPQCOSMUQM-OLZOCXBDSA-N 2 0 280.387 2.827 20 0 CFADRP c1csc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250101304 131123461 /nfs/dbraw/zinc/12/34/61/131123461.db2.gz XJOQDDCHXOAUHS-STQMWFEESA-N 2 0 250.411 2.507 20 0 CFADRP c1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000250161066 131124500 /nfs/dbraw/zinc/12/45/00/131124500.db2.gz HNMQARULZNMXMS-KBPBESRZSA-N 2 0 250.411 2.507 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000252438587 131134509 /nfs/dbraw/zinc/13/45/09/131134509.db2.gz DICSPVJYRSLJNX-HIFRSBDPSA-N 2 0 289.423 2.637 20 0 CFADRP CCOc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252675428 131136482 /nfs/dbraw/zinc/13/64/82/131136482.db2.gz ZSDGGIAOSRUCOG-CVEARBPZSA-N 2 0 274.408 2.802 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262161660 131195895 /nfs/dbraw/zinc/19/58/95/131195895.db2.gz GXLGNVLJQUPFSV-QAPCUYQASA-N 2 0 272.436 2.939 20 0 CFADRP c1ccc([C@H]2CCCC[C@@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423305240 285492650 /nfs/dbraw/zinc/49/26/50/285492650.db2.gz QCPXBJJZIAHKCJ-DLBZAZTESA-N 2 0 258.409 2.912 20 0 CFADRP COC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C1CC1 ZINC000164652916 542708196 /nfs/dbraw/zinc/70/81/96/542708196.db2.gz XNJKCBXDPBIRQP-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccccc1F ZINC000268736029 132058351 /nfs/dbraw/zinc/05/83/51/132058351.db2.gz PXNDPLMOEXLJAB-NFAWXSAZSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1C ZINC000268774190 132064220 /nfs/dbraw/zinc/06/42/20/132064220.db2.gz QYTGIVWETDPQMH-YJBOKZPZSA-N 2 0 298.434 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000268829268 132073292 /nfs/dbraw/zinc/07/32/92/132073292.db2.gz BUPMSZSCORNNJZ-YOEHRIQHSA-N 2 0 275.440 2.573 20 0 CFADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268902337 132085920 /nfs/dbraw/zinc/08/59/20/132085920.db2.gz QKPADOWTBGOKEN-BPQIPLTHSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1cc(C)c([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1C ZINC000268981732 132095110 /nfs/dbraw/zinc/09/51/10/132095110.db2.gz KSYURUQFDWYVPP-MRXNPFEDSA-N 2 0 290.451 2.719 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000269064808 132106864 /nfs/dbraw/zinc/10/68/64/132106864.db2.gz LCORVOIOIBXBFE-HNNXBMFYSA-N 2 0 290.451 2.777 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000297762971 393447894 /nfs/dbraw/zinc/44/78/94/393447894.db2.gz OVSMFFQOWNVFPD-GOEBONIOSA-N 2 0 296.480 2.944 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000178975686 393450589 /nfs/dbraw/zinc/45/05/89/393450589.db2.gz KYFJUAWZHATJOU-UHFFFAOYSA-N 2 0 268.470 2.738 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000178974737 393450779 /nfs/dbraw/zinc/45/07/79/393450779.db2.gz XCGWBCQOTLBCJJ-CXAGYDPISA-N 2 0 292.398 2.587 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000372959971 393459131 /nfs/dbraw/zinc/45/91/31/393459131.db2.gz PYIUWFDBVLJGEG-INIZCTEOSA-N 2 0 282.472 2.878 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC1=CCCC1 ZINC000372976168 393459207 /nfs/dbraw/zinc/45/92/07/393459207.db2.gz PRWZGTCZBIMADF-NXHRZFHOSA-N 2 0 292.467 2.966 20 0 CFADRP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000299989484 393465013 /nfs/dbraw/zinc/46/50/13/393465013.db2.gz KFLRLUZMRLWHCT-VFSICIBPSA-N 2 0 278.440 2.693 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000299997427 393465027 /nfs/dbraw/zinc/46/50/27/393465027.db2.gz NRGRCWQBLWDVMN-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@H]21 ZINC000299972398 393465071 /nfs/dbraw/zinc/46/50/71/393465071.db2.gz ARGWTMXPGDEPBR-QKPAOTATSA-N 2 0 278.440 2.537 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c(C)s1 ZINC000020128541 393484948 /nfs/dbraw/zinc/48/49/48/393484948.db2.gz BTUUGTSKHPFATC-CQSZACIVSA-N 2 0 295.496 2.653 20 0 CFADRP C[C@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305145405 393500294 /nfs/dbraw/zinc/50/02/94/393500294.db2.gz NHWLCVZRPUOSQI-ZWKOTPCHSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCOC1 ZINC000183197766 393517288 /nfs/dbraw/zinc/51/72/88/393517288.db2.gz NVHCTJBWKXEICA-CAOSSQGBSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000376836068 393525794 /nfs/dbraw/zinc/52/57/94/393525794.db2.gz XQPPFEKZRIIOEO-MCIONIFRSA-N 2 0 256.459 2.590 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](C)C[NH+](C)C ZINC000380424495 393556731 /nfs/dbraw/zinc/55/67/31/393556731.db2.gz IQUXVGWOVRJSIN-DYVFJYSZSA-N 2 0 276.424 2.860 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000684380755 542796752 /nfs/dbraw/zinc/79/67/52/542796752.db2.gz YZWMMCXXWOLNTR-JKSUJKDBSA-N 2 0 294.414 2.935 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000333339669 393566180 /nfs/dbraw/zinc/56/61/80/393566180.db2.gz XUBYOXWDTCFGCI-XDQVBPFNSA-N 2 0 267.417 2.591 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000381408129 393563303 /nfs/dbraw/zinc/56/33/03/393563303.db2.gz PSSXFEIYJONIKO-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2[nH+]1 ZINC000382421724 393570901 /nfs/dbraw/zinc/57/09/01/393570901.db2.gz KRJSSEPPNZGEHS-OLZOCXBDSA-N 2 0 255.365 2.647 20 0 CFADRP CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825001 393608390 /nfs/dbraw/zinc/60/83/90/393608390.db2.gz CNZPEYURPPFIKG-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1 ZINC000401896565 393607086 /nfs/dbraw/zinc/60/70/86/393607086.db2.gz XRVCKEAIYVAPSV-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCCC2)c2ccccc21 ZINC000386324685 393586857 /nfs/dbraw/zinc/58/68/57/393586857.db2.gz YXKCHVFDGWNKIE-BRWVUGGUSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2C[NH2+]C2)c2cccc(Br)c21 ZINC000335553035 393678116 /nfs/dbraw/zinc/67/81/16/393678116.db2.gz SJQHINCSCZAKIZ-NOZJJQNGSA-N 2 0 295.224 2.806 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000405034313 393622864 /nfs/dbraw/zinc/62/28/64/393622864.db2.gz WJBFVUXATIIHFR-CGTJXYLNSA-N 2 0 287.451 2.833 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335030155 393635316 /nfs/dbraw/zinc/63/53/16/393635316.db2.gz RFIUVCILWYINCN-SMELUJQZSA-N 3 0 273.424 2.594 20 0 CFADRP CC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC[NH2+]CC1 ZINC000335023249 393635734 /nfs/dbraw/zinc/63/57/34/393635734.db2.gz JGKKOWUMKGBOBK-HNNXBMFYSA-N 2 0 262.372 2.792 20 0 CFADRP CC1(C[NH2+][C@H]2CCCNc3ccccc32)CC[NH2+]CC1 ZINC000335021717 393635777 /nfs/dbraw/zinc/63/57/77/393635777.db2.gz CUVWEZBLYCFFBO-INIZCTEOSA-N 2 0 273.424 2.913 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070171660 393636903 /nfs/dbraw/zinc/63/69/03/393636903.db2.gz ZGCPGZGABFCQHX-TZMCWYRMSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000071206195 393639937 /nfs/dbraw/zinc/63/99/37/393639937.db2.gz FNVNMTUFJNYXQN-BBRMVZONSA-N 2 0 259.397 2.829 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000193426282 393650478 /nfs/dbraw/zinc/65/04/78/393650478.db2.gz LKHYNFMZFFXLDT-YXJHDRRASA-N 2 0 288.435 2.979 20 0 CFADRP Clc1cc2c(s1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000335406662 393667288 /nfs/dbraw/zinc/66/72/88/393667288.db2.gz LKWKRYQWULVCJP-SNVBAGLBSA-N 2 0 270.829 2.759 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1(C)C ZINC000085380414 393752127 /nfs/dbraw/zinc/75/21/27/393752127.db2.gz TUONMKJSLSKJAQ-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000335763769 393699652 /nfs/dbraw/zinc/69/96/52/393699652.db2.gz WBPKFQLIFMNUOI-GPANFISMSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccccc4)o3)C[C@H]2C1 ZINC000194543238 393704964 /nfs/dbraw/zinc/70/49/64/393704964.db2.gz ZMBFGRWFQVKYAO-IYBDPMFKSA-N 2 0 282.387 2.940 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1cccc(O)c1 ZINC000194909411 393722425 /nfs/dbraw/zinc/72/24/25/393722425.db2.gz VZDDVMLUQPVVKG-CYBMUJFWSA-N 2 0 271.364 2.940 20 0 CFADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC(O)C1 ZINC000411526620 393723049 /nfs/dbraw/zinc/72/30/49/393723049.db2.gz MLHYHMWHUPQUCI-UHFFFAOYSA-N 2 0 288.435 2.628 20 0 CFADRP C[C@H](O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000411536147 393724016 /nfs/dbraw/zinc/72/40/16/393724016.db2.gz GRYYLGZYMOWKJW-OAGGEKHMSA-N 2 0 290.451 2.504 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C12CCC2 ZINC000087709046 393760926 /nfs/dbraw/zinc/76/09/26/393760926.db2.gz CLQJJUBCLJGRFQ-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CC[NH+]1CCC(Nc2cc[nH+]c3c(O)cccc23)CC1 ZINC000684565248 542827009 /nfs/dbraw/zinc/82/70/09/542827009.db2.gz DHLGUUCFSPQZOM-UHFFFAOYSA-N 2 0 271.364 2.837 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C12CCC2 ZINC000245893023 393833589 /nfs/dbraw/zinc/83/35/89/393833589.db2.gz MOWYINXQBBAODD-LVQVYYBASA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[NH2+]C1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684571037 542828694 /nfs/dbraw/zinc/82/86/94/542828694.db2.gz AQLMFLSHPRBUOJ-UHFFFAOYSA-N 2 0 285.391 2.907 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1(C)C ZINC000245911232 393835810 /nfs/dbraw/zinc/83/58/10/393835810.db2.gz PIPQSQJMYYOOMH-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CN1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000234312564 393783712 /nfs/dbraw/zinc/78/37/12/393783712.db2.gz WHOCYWWLIUNTKD-CYBMUJFWSA-N 2 0 254.324 2.808 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1(CC)CC ZINC000245905806 393836313 /nfs/dbraw/zinc/83/63/13/393836313.db2.gz OPFVAYHAXLCHEK-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000414071007 393794670 /nfs/dbraw/zinc/79/46/70/393794670.db2.gz CQMDMXDWNUGFQU-NRKLIOEPSA-N 2 0 282.472 2.900 20 0 CFADRP CN(C)c1cc[nH+]cc1CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424209839 393798423 /nfs/dbraw/zinc/79/84/23/393798423.db2.gz ZSXOMWSOWVQKPI-IAGOWNOFSA-N 2 0 285.366 2.875 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccccc3C[C@H]2C)CC[NH2+]1 ZINC000414715992 393803890 /nfs/dbraw/zinc/80/38/90/393803890.db2.gz WJNBYOIOMYRQIL-RBSFLKMASA-N 2 0 258.409 2.821 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC[NH2+]1 ZINC000414749206 393804215 /nfs/dbraw/zinc/80/42/15/393804215.db2.gz XVBXOPZRTAOKAS-HUUCEWRRSA-N 2 0 270.420 2.922 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2)[C@@H](C)C1 ZINC000245439375 393804462 /nfs/dbraw/zinc/80/44/62/393804462.db2.gz SUHPKASJZMSLFC-RDJZCZTQSA-N 2 0 276.424 2.728 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3c(F)ccc(F)c3C2)CC[NH2+]1 ZINC000414710442 393804652 /nfs/dbraw/zinc/80/46/52/393804652.db2.gz RDBUKWPIGXCSEZ-VXGBXAGGSA-N 2 0 280.362 2.711 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)c2ccccc2C[NH+](C)C)c1 ZINC000424249461 393804789 /nfs/dbraw/zinc/80/47/89/393804789.db2.gz WGOFWEIMJNGSLB-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000414791506 393805684 /nfs/dbraw/zinc/80/56/84/393805684.db2.gz BJMFKYAFVLBKHC-YCPHGPKFSA-N 2 0 278.444 2.502 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414831372 393805888 /nfs/dbraw/zinc/80/58/88/393805888.db2.gz NGHBJRIKCAPFPX-SNVBAGLBSA-N 2 0 290.304 2.934 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424256228 393806204 /nfs/dbraw/zinc/80/62/04/393806204.db2.gz IXNVYRYHSFYEIE-LOXOPEBLSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000093944544 393806625 /nfs/dbraw/zinc/80/66/25/393806625.db2.gz IPVZEMVTNVRXKF-MLHJIOFPSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)C1 ZINC000414943579 393807882 /nfs/dbraw/zinc/80/78/82/393807882.db2.gz NWQOZEVMMFENAC-MXSMSXNCSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414944008 393808133 /nfs/dbraw/zinc/80/81/33/393808133.db2.gz GCMFEWMSDMRXBN-LMSBXDPUSA-N 2 0 293.499 2.760 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C2 ZINC000414902856 393808290 /nfs/dbraw/zinc/80/82/90/393808290.db2.gz IRSGQTCQBOKUMX-CABCVRRESA-N 2 0 264.800 2.539 20 0 CFADRP Clc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339072850 393814771 /nfs/dbraw/zinc/81/47/71/393814771.db2.gz YFKPPMRUAJTNDG-LSDHHAIUSA-N 2 0 294.826 2.935 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000339065456 393814912 /nfs/dbraw/zinc/81/49/12/393814912.db2.gz CHPDVEJVJRHSGO-GVDBMIGSSA-N 2 0 274.408 2.591 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000339072205 393815516 /nfs/dbraw/zinc/81/55/16/393815516.db2.gz UIPXUACHGGNGFQ-NJAFHUGGSA-N 2 0 299.462 2.654 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340227575 393838717 /nfs/dbraw/zinc/83/87/17/393838717.db2.gz BGCJTIPVISIWQQ-LNLFQRSKSA-N 2 0 299.462 2.648 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)C12CCCCC2 ZINC000245860274 393831127 /nfs/dbraw/zinc/83/11/27/393831127.db2.gz HUHWGDPIMVUZEL-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCN(C)c2ccccc2)[C@@H](C)C1 ZINC000246401779 393865252 /nfs/dbraw/zinc/86/52/52/393865252.db2.gz UCIPZNFCEZSQQC-WMZOPIPTSA-N 2 0 289.467 2.785 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000246410167 393866351 /nfs/dbraw/zinc/86/63/51/393866351.db2.gz MJPAUNIWHHGKCD-HLLBOEOZSA-N 2 0 260.425 2.856 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000459734317 393887144 /nfs/dbraw/zinc/88/71/44/393887144.db2.gz GZJYBUSUVRKJRY-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP C(COCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459766041 393887363 /nfs/dbraw/zinc/88/73/63/393887363.db2.gz DPGOPVGIVAOPGX-LMMHAMTPSA-N 2 0 292.467 2.559 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000246866132 393888536 /nfs/dbraw/zinc/88/85/36/393888536.db2.gz CSTLHRAJQGJNCI-QKPAOTATSA-N 2 0 270.461 2.756 20 0 CFADRP Cc1ccc(CCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000424369451 393840450 /nfs/dbraw/zinc/84/04/50/393840450.db2.gz BMUKVTYDTAWCFC-MRXNPFEDSA-N 2 0 287.451 2.787 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000340285220 393840982 /nfs/dbraw/zinc/84/09/82/393840982.db2.gz NZMCRAGOVIDBTE-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP Brc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000245993491 393842736 /nfs/dbraw/zinc/84/27/36/393842736.db2.gz MOOKEVQSKMCKBD-QWRGUYRKSA-N 2 0 299.212 2.759 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000341310469 393852926 /nfs/dbraw/zinc/85/29/26/393852926.db2.gz NEKUAILWWMHXDQ-HRCADAONSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251589933 393932427 /nfs/dbraw/zinc/93/24/27/393932427.db2.gz XKTWNVHOSNOJTC-OUCADQQQSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000429001128 393932995 /nfs/dbraw/zinc/93/29/95/393932995.db2.gz UFWHEXCXRHVGPM-KURKYZTESA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C)C1 ZINC000252172984 393934369 /nfs/dbraw/zinc/93/43/69/393934369.db2.gz RMZCSTVREVEGDY-KQTLUZQSSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000429049866 393936893 /nfs/dbraw/zinc/93/68/93/393936893.db2.gz QSYCWAPPTICSST-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429060734 393937234 /nfs/dbraw/zinc/93/72/34/393937234.db2.gz MHTWBKDZAPHVLS-INIZCTEOSA-N 2 0 270.461 2.855 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000258998340 393946603 /nfs/dbraw/zinc/94/66/03/393946603.db2.gz MGGNNFMHGJOZOH-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000249141220 393920627 /nfs/dbraw/zinc/92/06/27/393920627.db2.gz WDTHEQYKISIRLH-YALNPMBYSA-N 2 0 278.440 2.503 20 0 CFADRP FC1(c2ccccc2)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261801920 393950136 /nfs/dbraw/zinc/95/01/36/393950136.db2.gz GYRQXEKLSCSAOW-UHFFFAOYSA-N 2 0 276.399 2.947 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475348625 393953263 /nfs/dbraw/zinc/95/32/63/393953263.db2.gz FJQIYOSFNJQBQF-DDBAPUKQSA-N 2 0 270.420 2.706 20 0 CFADRP CCOC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121611386 393957685 /nfs/dbraw/zinc/95/76/85/393957685.db2.gz KFZYUZUZQGSCMB-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)CCN1Cc1ccccc1 ZINC000417415267 393958521 /nfs/dbraw/zinc/95/85/21/393958521.db2.gz YWHFOOGOQJIFDG-LEUOFYLZSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(Br)s1 ZINC000122368916 393967989 /nfs/dbraw/zinc/96/79/89/393967989.db2.gz VYADPOQATCGBNX-IUCAKERBSA-N 2 0 289.242 2.680 20 0 CFADRP C[C@H]1CCC[N@H+](CCNc2cc[nH+]c3ccccc23)C1 ZINC000486956378 393975202 /nfs/dbraw/zinc/97/52/02/393975202.db2.gz NFLCMACYNFWSPS-AWEZNQCLSA-N 2 0 269.392 2.801 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C[C@@H]1CCSC1 ZINC000486988523 393978235 /nfs/dbraw/zinc/97/82/35/393978235.db2.gz IXAHKGHQEONUDX-AWEZNQCLSA-N 2 0 258.475 2.841 20 0 CFADRP C(=C\c1ccncc1)\C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000487170988 393986485 /nfs/dbraw/zinc/98/64/85/393986485.db2.gz JUFHMQINVVRMJK-UPHRSURJSA-N 2 0 271.408 2.559 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000487307030 393995873 /nfs/dbraw/zinc/99/58/73/393995873.db2.gz XYVKMGIWPFJUHZ-ONEGZZNKSA-N 2 0 273.424 2.806 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C/C=C/c2ccncc2)CC1 ZINC000487307971 393996470 /nfs/dbraw/zinc/99/64/70/393996470.db2.gz RVXRTYLLIOLKKF-ONEGZZNKSA-N 2 0 273.424 2.806 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430582793 393997372 /nfs/dbraw/zinc/99/73/72/393997372.db2.gz LUMFHTDPGPHRJR-UHFFFAOYSA-N 2 0 264.413 2.681 20 0 CFADRP C[C@H](CC[NH2+]C/C=C/c1ccncc1)[NH+]1CCCCC1 ZINC000487539213 394009422 /nfs/dbraw/zinc/00/94/22/394009422.db2.gz NMKPFOXDLUCQKJ-SQRWCISFSA-N 2 0 273.424 2.949 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1sccc1Cl ZINC000487574585 394013013 /nfs/dbraw/zinc/01/30/13/394013013.db2.gz PAIKDBSFIGARIF-UHFFFAOYSA-N 2 0 290.860 2.850 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1scnc1C1CC1 ZINC000352526532 394015514 /nfs/dbraw/zinc/01/55/14/394015514.db2.gz OPYRTHISAQUGAK-GFCCVEGCSA-N 2 0 265.426 2.724 20 0 CFADRP Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc[nH+]1 ZINC000274874615 394045347 /nfs/dbraw/zinc/04/53/47/394045347.db2.gz GIIUCUVOIFOWOY-PBHICJAKSA-N 2 0 271.408 2.843 20 0 CFADRP Cc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000274977983 394045500 /nfs/dbraw/zinc/04/55/00/394045500.db2.gz YUZJGYADSPLNRW-MRXNPFEDSA-N 2 0 259.397 2.845 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000355164146 394059465 /nfs/dbraw/zinc/05/94/65/394059465.db2.gz YLDZBMPDWZRNRE-KRWDZBQOSA-N 2 0 275.440 2.739 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCC1 ZINC000358295860 394102068 /nfs/dbraw/zinc/10/20/68/394102068.db2.gz KTAVQCQAIHOECX-JQFCIGGWSA-N 2 0 280.456 2.533 20 0 CFADRP CC1CCC(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000355229861 394061348 /nfs/dbraw/zinc/06/13/48/394061348.db2.gz YSOIMQBCOJXNGF-YXYCDRMUSA-N 2 0 294.483 2.996 20 0 CFADRP CCC[C@@H](C)[C@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128473716 394070397 /nfs/dbraw/zinc/07/03/97/394070397.db2.gz YJAPXTPRFBPGSZ-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000128533567 394071629 /nfs/dbraw/zinc/07/16/29/394071629.db2.gz YAOSTFYBCPNCNY-QWHCGFSZSA-N 2 0 279.472 2.510 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCSc2ccccc2)CN1C1CC1 ZINC000128562815 394072362 /nfs/dbraw/zinc/07/23/62/394072362.db2.gz QTQCNUTYCUATFK-KBPBESRZSA-N 2 0 276.449 2.994 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000356419972 394077646 /nfs/dbraw/zinc/07/76/46/394077646.db2.gz NVCUBYVRKIJEBI-CVEARBPZSA-N 2 0 297.487 2.534 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356848855 394081280 /nfs/dbraw/zinc/08/12/80/394081280.db2.gz PEEBUBDKDLGWLF-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356842679 394081356 /nfs/dbraw/zinc/08/13/56/394081356.db2.gz LGDKDSZHXYKVSU-BBWFWOEESA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281881740 394088213 /nfs/dbraw/zinc/08/82/13/394088213.db2.gz GHLYCWDOUYLBRL-OLZOCXBDSA-N 2 0 271.408 2.565 20 0 CFADRP Cc1cc(NCc2ccc([C@@H](C)[NH3+])cc2)nc(C(C)C)n1 ZINC000420218810 394097787 /nfs/dbraw/zinc/09/77/87/394097787.db2.gz WTMBKNBXUUEBSF-CYBMUJFWSA-N 2 0 284.407 2.962 20 0 CFADRP CN(CC[N@H+](C)CCC1CCCC1)C1CC[NH+](C)CC1 ZINC000126465971 394028444 /nfs/dbraw/zinc/02/84/44/394028444.db2.gz HFJHXRDNRZSXEG-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000361947267 394178828 /nfs/dbraw/zinc/17/88/28/394178828.db2.gz REOQARVSXBVRQC-KGLIPLIRSA-N 2 0 256.459 2.590 20 0 CFADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000130633384 394115811 /nfs/dbraw/zinc/11/58/11/394115811.db2.gz ZXQRSHSBVXEECD-NSHDSACASA-N 2 0 298.390 2.769 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420282061 394115994 /nfs/dbraw/zinc/11/59/94/394115994.db2.gz AMBAIWUDCURTLE-GDBMZVCRSA-N 2 0 276.424 2.687 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CNc1ccnc(C(C)C)n1 ZINC000420284645 394116031 /nfs/dbraw/zinc/11/60/31/394116031.db2.gz URTQAGHURNNTSK-OAHLLOKOSA-N 2 0 284.407 2.696 20 0 CFADRP COc1cc(Cl)ccc1CN[C@@](C)(C[NH3+])C1CC1 ZINC000420284154 394116090 /nfs/dbraw/zinc/11/60/90/394116090.db2.gz CQXQFZGPMBMUSV-AWEZNQCLSA-N 2 0 268.788 2.566 20 0 CFADRP Fc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420325716 394117254 /nfs/dbraw/zinc/11/72/54/394117254.db2.gz WTBRWNPCGXWJCL-PBHICJAKSA-N 2 0 292.398 2.589 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000420415251 394119479 /nfs/dbraw/zinc/11/94/79/394119479.db2.gz UXTOYGMOURUROV-WQVCFCJDSA-N 2 0 294.826 2.759 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420385812 394119567 /nfs/dbraw/zinc/11/95/67/394119567.db2.gz IEBQGYMENSCYTG-JLSDUUJJSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420382927 394119589 /nfs/dbraw/zinc/11/95/89/394119589.db2.gz ZDLSVZUPSLXJBE-KDOFPFPSSA-N 2 0 288.435 2.700 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(C)CC2)[C@H](C)C1 ZINC000359000378 394120368 /nfs/dbraw/zinc/12/03/68/394120368.db2.gz HOZRJBQZGMPIOW-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@]1(C)C[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359196567 394127351 /nfs/dbraw/zinc/12/73/51/394127351.db2.gz UOGURQWNJSWYNL-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000131238055 394128532 /nfs/dbraw/zinc/12/85/32/394128532.db2.gz XLVKIJJTTAGJCU-CQSZACIVSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000360011813 394143999 /nfs/dbraw/zinc/14/39/99/394143999.db2.gz QNTZHAHNBGIYIH-CZUORRHYSA-N 2 0 276.399 2.787 20 0 CFADRP CC[C@@H]1[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1CC ZINC000447308998 394150831 /nfs/dbraw/zinc/15/08/31/394150831.db2.gz JQUXOEAAQKNLKZ-HHARLNAUSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000360548618 394154973 /nfs/dbraw/zinc/15/49/73/394154973.db2.gz CVFYOXGVSDKUOO-BZUAXINKSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000361045784 394163877 /nfs/dbraw/zinc/16/38/77/394163877.db2.gz YPMCPUIGOIRIOE-JKQORVJESA-N 2 0 276.424 2.571 20 0 CFADRP CO[C@H](C)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000363695332 394198885 /nfs/dbraw/zinc/19/88/85/394198885.db2.gz DNUKLWMDIULQED-ISXOHVOVSA-N 2 0 282.472 2.996 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(Cl)c1 ZINC000422860567 394256167 /nfs/dbraw/zinc/25/61/67/394256167.db2.gz LPCWMEIBGYTXNR-IINYFYTJSA-N 2 0 252.789 2.989 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000421368973 394205632 /nfs/dbraw/zinc/20/56/32/394205632.db2.gz CELBKRIJRIXSNX-LBPRGKRZSA-N 2 0 258.369 2.711 20 0 CFADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134893906 394206274 /nfs/dbraw/zinc/20/62/74/394206274.db2.gz UHEKPTMVCVHNEK-DJIMGWMZSA-N 2 0 278.440 2.504 20 0 CFADRP Cc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(C)n1 ZINC000421374667 394207339 /nfs/dbraw/zinc/20/73/39/394207339.db2.gz BQCATYCQXZAROP-UHFFFAOYSA-N 2 0 296.418 2.852 20 0 CFADRP COc1cccc(F)c1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000135146974 394212242 /nfs/dbraw/zinc/21/22/42/394212242.db2.gz ZKSLFSQRXJFZNX-FRRDWIJNSA-N 2 0 280.387 2.968 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C1CCOCC1 ZINC000422815185 394256728 /nfs/dbraw/zinc/25/67/28/394256728.db2.gz XFHQRBLWZWFQAX-CXAGYDPISA-N 2 0 291.439 2.705 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000422862529 394256881 /nfs/dbraw/zinc/25/68/81/394256881.db2.gz PYRYOQJQKFSROF-XWIAVFTESA-N 2 0 285.435 2.738 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422953815 394259969 /nfs/dbraw/zinc/25/99/69/394259969.db2.gz GNIRVSDIWZOIEX-QWHCGFSZSA-N 2 0 293.480 2.542 20 0 CFADRP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000449127098 394222069 /nfs/dbraw/zinc/22/20/69/394222069.db2.gz WEAXCHHGTDMNGH-FUHWJXTLSA-N 2 0 296.499 2.885 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449130955 394223337 /nfs/dbraw/zinc/22/33/37/394223337.db2.gz JDPGDGXXABUXMS-HOCLYGCPSA-N 2 0 264.413 2.921 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449132514 394223804 /nfs/dbraw/zinc/22/38/04/394223804.db2.gz UUTUZAHIIYYOEM-LBPRGKRZSA-N 2 0 282.378 3.000 20 0 CFADRP Cc1cnc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000449131693 394223934 /nfs/dbraw/zinc/22/39/34/394223934.db2.gz OWIYOGKLKQUEOH-ZDUSSCGKSA-N 2 0 267.442 2.662 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449132266 394224089 /nfs/dbraw/zinc/22/40/89/394224089.db2.gz TVGYRDRNNHSOIA-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP CC(C)CC[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000449161281 394235592 /nfs/dbraw/zinc/23/55/92/394235592.db2.gz FEZNVXVMXBCORE-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000422942900 394258635 /nfs/dbraw/zinc/25/86/35/394258635.db2.gz KXZBURBHSAXNGF-SMDDNHRTSA-N 2 0 298.814 2.507 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000138406417 394242448 /nfs/dbraw/zinc/24/24/48/394242448.db2.gz UHKPDQSCVNSVKY-HNNXBMFYSA-N 2 0 286.423 2.513 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CSC[C@H]1C)C(C)C ZINC000449182324 394244402 /nfs/dbraw/zinc/24/44/02/394244402.db2.gz JQFBPTOLLDARCZ-ZIAGYGMSSA-N 2 0 258.475 2.836 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000449180263 394244438 /nfs/dbraw/zinc/24/44/38/394244438.db2.gz ZHFOIKDCAMLTDH-HLLBOEOZSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366545142 394244616 /nfs/dbraw/zinc/24/46/16/394244616.db2.gz OELFAINCSWABOS-PMPSAXMXSA-N 2 0 250.430 2.840 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000422939047 394258971 /nfs/dbraw/zinc/25/89/71/394258971.db2.gz FLOXRXQVXXUBDU-GJZGRUSLSA-N 2 0 254.418 2.585 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CCCCC1 ZINC000422750646 394254128 /nfs/dbraw/zinc/25/41/28/394254128.db2.gz DKXVDNIXCILEAZ-LSDHHAIUSA-N 2 0 267.461 2.501 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])C1 ZINC000422711904 394254148 /nfs/dbraw/zinc/25/41/48/394254148.db2.gz HSANGHCVKBOTKX-RBGFHDKUSA-N 2 0 268.445 2.543 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000422738058 394254572 /nfs/dbraw/zinc/25/45/72/394254572.db2.gz JBHVZHTWBVXZMJ-JKQORVJESA-N 2 0 275.440 2.537 20 0 CFADRP c1[nH]nc2c1cccc2C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134206540 394190422 /nfs/dbraw/zinc/19/04/22/394190422.db2.gz ZEVATBKAZZSYEW-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048733 394261767 /nfs/dbraw/zinc/26/17/67/394261767.db2.gz INEHRMWPMABDBX-QDIHITRGSA-N 2 0 268.445 2.687 20 0 CFADRP CC1=CC[N@H+](CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000423038818 394262060 /nfs/dbraw/zinc/26/20/60/394262060.db2.gz PEWOUIRPRSRGHM-IRXDYDNUSA-N 2 0 279.472 2.539 20 0 CFADRP CCC1(C[NH2+][C@@H](CCC[NH3+])COC)CCCCC1 ZINC000423057499 394262456 /nfs/dbraw/zinc/26/24/56/394262456.db2.gz ZZIUZLMLCFYLFB-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000423070089 394263500 /nfs/dbraw/zinc/26/35/00/394263500.db2.gz MPIVLYRARUCTIT-AAEUAGOBSA-N 2 0 294.370 2.976 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423081349 394266638 /nfs/dbraw/zinc/26/66/38/394266638.db2.gz BJHRSKHZYQYCRU-LZLYRXPVSA-N 2 0 287.451 2.633 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423084600 394267139 /nfs/dbraw/zinc/26/71/39/394267139.db2.gz IMOOWFAPZIKOCY-AEFFLSMTSA-N 2 0 287.451 2.620 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092140 394269103 /nfs/dbraw/zinc/26/91/03/394269103.db2.gz ASHYTTQKDQPHCG-QTDMDRALSA-N 2 0 280.362 2.928 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000423092182 394269164 /nfs/dbraw/zinc/26/91/64/394269164.db2.gz AWAMFWFNQRSWED-BXKDBHETSA-N 2 0 291.222 2.744 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423092159 394269259 /nfs/dbraw/zinc/26/92/59/394269259.db2.gz ATBPEVJIMZYORR-ZYHUDNBSSA-N 2 0 283.366 2.935 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000423140710 394271197 /nfs/dbraw/zinc/27/11/97/394271197.db2.gz ZGHFYWQUBBTTAU-ULQDDVLXSA-N 2 0 276.424 2.524 20 0 CFADRP CC(C)c1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423174295 394272633 /nfs/dbraw/zinc/27/26/33/394272633.db2.gz ADAMFHVEUVVJRJ-MRXNPFEDSA-N 2 0 289.467 2.756 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000423225627 394274193 /nfs/dbraw/zinc/27/41/93/394274193.db2.gz NOWGBJZHEQKEKQ-GWCFXTLKSA-N 2 0 268.788 2.881 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423250793 394275249 /nfs/dbraw/zinc/27/52/49/394275249.db2.gz VLJLPPHONZFQEB-JCGIZDLHSA-N 2 0 289.467 2.930 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283418 394275907 /nfs/dbraw/zinc/27/59/07/394275907.db2.gz WBRMNTVWGUVSPS-BFYDXBDKSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[NH3+] ZINC000423317665 394276651 /nfs/dbraw/zinc/27/66/51/394276651.db2.gz CVLNENBEWGCQJK-HNNXBMFYSA-N 2 0 252.377 2.721 20 0 CFADRP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000423318954 394276901 /nfs/dbraw/zinc/27/69/01/394276901.db2.gz LFUCBCVZNLUGBB-RAWUWXBPSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000423372447 394279130 /nfs/dbraw/zinc/27/91/30/394279130.db2.gz GJCTUJOOSKZGKP-VDHUWJSZSA-N 3 0 287.451 2.552 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000423456858 394282737 /nfs/dbraw/zinc/28/27/37/394282737.db2.gz HINYDOPJNFOSJA-XFJVYGCCSA-N 2 0 262.372 2.920 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423463358 394282985 /nfs/dbraw/zinc/28/29/85/394282985.db2.gz FTLACEFMLCQNFY-APIJFGDWSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423501089 394283603 /nfs/dbraw/zinc/28/36/03/394283603.db2.gz KXFGWHQPUAMOOX-ZTFGCOKTSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423504057 394284709 /nfs/dbraw/zinc/28/47/09/394284709.db2.gz NIOVHPVOGHOOHL-DYVFJYSZSA-N 2 0 286.423 2.859 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(F)c1F ZINC000423506868 394285252 /nfs/dbraw/zinc/28/52/52/394285252.db2.gz MLRZXUAVZKLPNP-HBNTYKKESA-N 2 0 254.324 2.743 20 0 CFADRP CC(C)CSCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000153673309 394289162 /nfs/dbraw/zinc/28/91/62/394289162.db2.gz LEKVAMFJUHQOKV-AWEZNQCLSA-N 2 0 258.475 2.649 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)cc1 ZINC000423527047 394289861 /nfs/dbraw/zinc/28/98/61/394289861.db2.gz LYMLTPMFLXHSOB-QGZVFWFLSA-N 2 0 258.409 2.739 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423526303 394290017 /nfs/dbraw/zinc/29/00/17/394290017.db2.gz LEIAKRMQOKYPHV-AWEZNQCLSA-N 2 0 262.422 2.955 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423530688 394291286 /nfs/dbraw/zinc/29/12/86/394291286.db2.gz RRXVCJYLTVHNQO-CQSZACIVSA-N 2 0 298.434 2.973 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000153744420 394291445 /nfs/dbraw/zinc/29/14/45/394291445.db2.gz RMHKKFWHVDGQCS-MRXNPFEDSA-N 2 0 278.440 2.922 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527612 394291499 /nfs/dbraw/zinc/29/14/99/394291499.db2.gz MVDUVICTRKADDJ-NKHLHKDFSA-N 2 0 288.435 2.954 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000153745753 394291532 /nfs/dbraw/zinc/29/15/32/394291532.db2.gz HQRIZGWHMFGXBW-HNNXBMFYSA-N 2 0 290.451 2.794 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCCOC1 ZINC000423531583 394292311 /nfs/dbraw/zinc/29/23/11/394292311.db2.gz SWWWYLNNBBHTRH-IAFULOADSA-N 2 0 292.467 2.545 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000153803621 394292895 /nfs/dbraw/zinc/29/28/95/394292895.db2.gz DIOZZTOSVRUIHV-CXAGYDPISA-N 2 0 294.414 2.617 20 0 CFADRP CN1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423535661 394292972 /nfs/dbraw/zinc/29/29/72/394292972.db2.gz DZLFOLBJUWSBCA-MOPGFXCFSA-N 2 0 299.462 2.721 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423538326 394293835 /nfs/dbraw/zinc/29/38/35/394293835.db2.gz GCONDKSKLBWSHQ-JFIYKMOQSA-N 2 0 299.462 2.633 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538915 394294144 /nfs/dbraw/zinc/29/41/44/394294144.db2.gz HGWMOZNXQCCZIU-OVZMXSCWSA-N 2 0 292.373 2.930 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423541945 394294670 /nfs/dbraw/zinc/29/46/70/394294670.db2.gz AIEVWPHAWNQGST-LSDHHAIUSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cnn1C(C)C ZINC000423540972 394294839 /nfs/dbraw/zinc/29/48/39/394294839.db2.gz KGMJOKGFEGAGNT-ARLBYUKCSA-N 2 0 290.455 2.811 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423547182 394295391 /nfs/dbraw/zinc/29/53/91/394295391.db2.gz FVZPOEAODPSWNS-GOEBONIOSA-N 2 0 261.413 2.525 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546975 394295887 /nfs/dbraw/zinc/29/58/87/394295887.db2.gz ZUMIASUDGBRWRT-LSDHHAIUSA-N 2 0 254.393 2.804 20 0 CFADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[C@@H]12 ZINC000423550182 394296309 /nfs/dbraw/zinc/29/63/09/394296309.db2.gz SOHQIGJZZYLOSC-ZMSDIMECSA-N 2 0 292.467 2.704 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CCC2)c1 ZINC000423550232 394296395 /nfs/dbraw/zinc/29/63/95/394296395.db2.gz SRRKLSDKHVYFKE-DZJNRPSUSA-N 2 0 285.435 2.901 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CCC[NH2+]C2CC2)C2CC2)c1 ZINC000423559155 394297360 /nfs/dbraw/zinc/29/73/60/394297360.db2.gz OLNRRGWUHYOSQB-SFHVURJKSA-N 2 0 288.435 2.748 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423559754 394297427 /nfs/dbraw/zinc/29/74/27/394297427.db2.gz OYFMDHYTPOCXQM-ZDUSSCGKSA-N 2 0 260.381 2.656 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1 ZINC000423562586 394297993 /nfs/dbraw/zinc/29/79/93/394297993.db2.gz QTHOXAKITIRXNE-ZDUSSCGKSA-N 2 0 262.397 2.796 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423568536 394298097 /nfs/dbraw/zinc/29/80/97/394298097.db2.gz VMFAWTYXEDTJRS-AWEZNQCLSA-N 2 0 278.371 2.553 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423562516 394298245 /nfs/dbraw/zinc/29/82/45/394298245.db2.gz QNSOTFVHGUWWEH-INIZCTEOSA-N 2 0 272.392 2.582 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000155009124 394307307 /nfs/dbraw/zinc/30/73/07/394307307.db2.gz AJENJCUFMFDCCK-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000450645411 394307710 /nfs/dbraw/zinc/30/77/10/394307710.db2.gz UHAPAYVXBQOARQ-DLBZAZTESA-N 2 0 289.467 2.533 20 0 CFADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000450643785 394307988 /nfs/dbraw/zinc/30/79/88/394307988.db2.gz FMWGVANTEIHUKQ-DLBZAZTESA-N 2 0 282.472 2.876 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCCCC1 ZINC000155745563 394321981 /nfs/dbraw/zinc/32/19/81/394321981.db2.gz BPZCUEANAOUQKW-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000451004956 394346268 /nfs/dbraw/zinc/34/62/68/394346268.db2.gz QYMMARDEUZJOSV-KZNAEPCWSA-N 2 0 293.499 2.808 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000158160824 394354880 /nfs/dbraw/zinc/35/48/80/394354880.db2.gz XLCJZPSQAHOVRC-IAGOWNOFSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000158373855 394357021 /nfs/dbraw/zinc/35/70/21/394357021.db2.gz SKOMZHMGZDZUAU-AIANPOQGSA-N 2 0 288.435 2.871 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000158677232 394359965 /nfs/dbraw/zinc/35/99/65/394359965.db2.gz XFHXVBGFZKAXOZ-YYIAUSFCSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)O1 ZINC000451132491 394361862 /nfs/dbraw/zinc/36/18/62/394361862.db2.gz IQWNRLIDWAWMBM-YIYPIFLZSA-N 2 0 256.434 2.508 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)c1ccccn1 ZINC000158978149 394362506 /nfs/dbraw/zinc/36/25/06/394362506.db2.gz TWAFDKOKKGIYDP-HOTGVXAUSA-N 2 0 291.439 2.623 20 0 CFADRP Cc1cccc([C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158989270 394362562 /nfs/dbraw/zinc/36/25/62/394362562.db2.gz BIDFQYXGQZTNES-SJLPKXTDSA-N 2 0 290.451 2.738 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000159007205 394363236 /nfs/dbraw/zinc/36/32/36/394363236.db2.gz KGDBVRBWMDDQQM-AWEZNQCLSA-N 2 0 261.413 2.854 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159286627 394365372 /nfs/dbraw/zinc/36/53/72/394365372.db2.gz MKNYXRWXBTUXBZ-CVEARBPZSA-N 2 0 269.392 2.637 20 0 CFADRP CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000451273621 394372407 /nfs/dbraw/zinc/37/24/07/394372407.db2.gz VYLCWCHZSZQGDF-SJLPKXTDSA-N 2 0 299.418 2.774 20 0 CFADRP c1nc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)ccc2[nH]1 ZINC000520331583 394380059 /nfs/dbraw/zinc/38/00/59/394380059.db2.gz LGQKBOZFLRFCAV-UHFFFAOYSA-N 2 0 284.407 2.527 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000453404550 394397952 /nfs/dbraw/zinc/39/79/52/394397952.db2.gz DLGILWFKHFFNOL-MELADBBJSA-N 2 0 272.383 2.884 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527722878 394400256 /nfs/dbraw/zinc/40/02/56/394400256.db2.gz XSPWMIJJGNDEAS-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)C1CC1 ZINC000453419382 394401167 /nfs/dbraw/zinc/40/11/67/394401167.db2.gz ZAQIZGYKZLRJFD-QGZVFWFLSA-N 2 0 298.434 2.963 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1nccs1 ZINC000453418515 394401207 /nfs/dbraw/zinc/40/12/07/394401207.db2.gz YGFASKMJAUSBCK-NSHDSACASA-N 2 0 253.415 2.668 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC2CCOCC2)C1 ZINC000685455699 542916575 /nfs/dbraw/zinc/91/65/75/542916575.db2.gz NASJFZHPMDZPCM-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000685458027 542916682 /nfs/dbraw/zinc/91/66/82/542916682.db2.gz XZFWGJKFHVCFTF-DOTOQJQBSA-N 2 0 295.515 2.769 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC(F)(F)C1 ZINC000529553973 394409351 /nfs/dbraw/zinc/40/93/51/394409351.db2.gz KRMKVECFEYUYKO-LLVKDONJSA-N 2 0 272.383 2.884 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529565374 394410780 /nfs/dbraw/zinc/41/07/80/394410780.db2.gz IFLNFGRIJAYURZ-NWDGAFQWSA-N 2 0 260.372 2.740 20 0 CFADRP CC(C)c1cccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000527861309 394418234 /nfs/dbraw/zinc/41/82/34/394418234.db2.gz CZNQQMTWOGIHNX-HNNXBMFYSA-N 2 0 290.451 2.917 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(CO)c1 ZINC000528012086 394439100 /nfs/dbraw/zinc/43/91/00/394439100.db2.gz NQSOAPYKYNVFNX-KSSFIOAISA-N 2 0 288.435 2.846 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000527944954 394429583 /nfs/dbraw/zinc/42/95/83/394429583.db2.gz DVYYVWKMKPRHQH-NXHRZFHOSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1cccc2nc(Cn3ccnc3C3CC3)cn21 ZINC000530128876 394455692 /nfs/dbraw/zinc/45/56/92/394455692.db2.gz DVGFBLUGBCBEGB-UHFFFAOYSA-N 2 0 252.321 2.765 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCOC2)c2ccccc21 ZINC000530207252 394479851 /nfs/dbraw/zinc/47/98/51/394479851.db2.gz CUEAWCXOHPVYDN-APHBMKBZSA-N 2 0 260.381 2.538 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530207797 394479976 /nfs/dbraw/zinc/47/99/76/394479976.db2.gz DHWWPWNTFBEXPD-PJQMTXISSA-N 2 0 264.800 2.694 20 0 CFADRP COCCC1CC[NH+]([C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000530209450 394480999 /nfs/dbraw/zinc/48/09/99/394480999.db2.gz HTUCYWFJHIMNTR-DLBZAZTESA-N 2 0 274.408 2.880 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530211671 394481866 /nfs/dbraw/zinc/48/18/66/394481866.db2.gz PKLMMHRKWUDNPU-MYPMTAMASA-N 2 0 273.424 2.936 20 0 CFADRP C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000530212183 394481909 /nfs/dbraw/zinc/48/19/09/394481909.db2.gz PNHSDKAJGJEYEL-LRDDRELGSA-N 2 0 250.430 2.933 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000530218063 394484949 /nfs/dbraw/zinc/48/49/49/394484949.db2.gz BICZUBFZRANLGE-HNNXBMFYSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000530218391 394486332 /nfs/dbraw/zinc/48/63/32/394486332.db2.gz FYXWLORKLSJPSR-GOEBONIOSA-N 2 0 275.371 2.627 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000530218569 394486424 /nfs/dbraw/zinc/48/64/24/394486424.db2.gz CVEGDUYKVJCBGM-GJZGRUSLSA-N 2 0 250.430 2.744 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000530218394 394486548 /nfs/dbraw/zinc/48/65/48/394486548.db2.gz FYXWLORKLSJPSR-HOCLYGCPSA-N 2 0 275.371 2.627 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000530225475 394489574 /nfs/dbraw/zinc/48/95/74/394489574.db2.gz ZZATWODPMBCVEO-GDBMZVCRSA-N 2 0 291.439 2.533 20 0 CFADRP C[C@@H](CN(C)Cc1nc(C(C)(C)[NH3+])no1)C1CCCCC1 ZINC000530233850 394492949 /nfs/dbraw/zinc/49/29/49/394492949.db2.gz JJYMBBVEELRIRJ-LBPRGKRZSA-N 2 0 294.443 2.912 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000530243246 394494853 /nfs/dbraw/zinc/49/48/53/394494853.db2.gz GHBDIFBNUWHNIE-GDBMZVCRSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@@]1(C[NH+]2CCC(Oc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000530244584 394495136 /nfs/dbraw/zinc/49/51/36/394495136.db2.gz ZQNYERKOGHHJPJ-QGZVFWFLSA-N 2 0 292.398 2.669 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000536652092 394565386 /nfs/dbraw/zinc/56/53/86/394565386.db2.gz DLETVALBHDZNTE-UHFFFAOYSA-N 2 0 261.413 2.634 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000536873214 394573559 /nfs/dbraw/zinc/57/35/59/394573559.db2.gz XLUSRJOASKFTCM-XHDPSFHLSA-N 2 0 284.806 2.951 20 0 CFADRP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCOCC1 ZINC000530477087 394521050 /nfs/dbraw/zinc/52/10/50/394521050.db2.gz ILBXKLHFIHNILF-JCYILVPMSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000537971806 394595865 /nfs/dbraw/zinc/59/58/65/394595865.db2.gz HXJIJPBDYHKUMK-INMHGKMJSA-N 2 0 282.472 2.900 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000539065962 394621340 /nfs/dbraw/zinc/62/13/40/394621340.db2.gz QMNXURCNCNOGTI-SQWLQELKSA-N 2 0 268.445 2.654 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000539651946 394630144 /nfs/dbraw/zinc/63/01/44/394630144.db2.gz ZYCCZNWEDHRIEH-ZBFHGGJFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCCC1 ZINC000543404828 394729545 /nfs/dbraw/zinc/72/95/45/394729545.db2.gz OGIGAGWZPASYRC-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]([NH+]3CCCC3)C2)c1Cl ZINC000543748642 394742652 /nfs/dbraw/zinc/74/26/52/394742652.db2.gz LGZFIYGOAJVUPE-LBPRGKRZSA-N 2 0 265.788 2.718 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000536129642 542965260 /nfs/dbraw/zinc/96/52/60/542965260.db2.gz QXAIZAKDWNFGFQ-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000547979483 394900713 /nfs/dbraw/zinc/90/07/13/394900713.db2.gz XTMZNVAROYWDDD-BLLLJJGKSA-N 2 0 298.390 2.507 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC000555880901 394985044 /nfs/dbraw/zinc/98/50/44/394985044.db2.gz ZAWGXKGLYNSTME-SJORKVTESA-N 2 0 282.472 2.734 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000558152813 395053354 /nfs/dbraw/zinc/05/33/54/395053354.db2.gz XTZVIOYQHZYOSQ-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1c[nH+]ccc1N ZINC000570624468 395085234 /nfs/dbraw/zinc/08/52/34/395085234.db2.gz WQOKJFLFBGMDJW-ZDUSSCGKSA-N 2 0 288.439 2.552 20 0 CFADRP COc1ccc([C@H](C)C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000179727666 543008351 /nfs/dbraw/zinc/00/83/51/543008351.db2.gz UIFJVADBAZCVHT-CQSZACIVSA-N 2 0 276.424 2.825 20 0 CFADRP CCc1nn(C)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000180481790 543013424 /nfs/dbraw/zinc/01/34/24/543013424.db2.gz JBXWQCGFKOSARB-UHFFFAOYSA-N 2 0 292.471 2.536 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000648563407 395199372 /nfs/dbraw/zinc/19/93/72/395199372.db2.gz SPIXGCBDKKTFNV-PRLABOORSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)CC(F)F ZINC000647319595 395288603 /nfs/dbraw/zinc/28/86/03/395288603.db2.gz FJXRKVBCIXRFGQ-RVMXOQNASA-N 2 0 260.372 2.740 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000647342594 395305137 /nfs/dbraw/zinc/30/51/37/395305137.db2.gz SZOORGGRLXDDPF-KBXIAJHMSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@H]1C ZINC000647344075 395306625 /nfs/dbraw/zinc/30/66/25/395306625.db2.gz IOHOAOROYYRGNG-ILMPWQCYSA-N 2 0 272.436 2.966 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343974 395306789 /nfs/dbraw/zinc/30/67/89/395306789.db2.gz GVLCMHPBICRTGV-OIISXLGYSA-N 2 0 290.451 2.735 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000647343912 395306843 /nfs/dbraw/zinc/30/68/43/395306843.db2.gz FUPXAVBIYCHREP-FGTMMUONSA-N 2 0 290.451 2.592 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCS[C@@H]1C ZINC000647258378 395262234 /nfs/dbraw/zinc/26/22/34/395262234.db2.gz BKZJUYMEQUEQHS-DOMZBBRYSA-N 2 0 288.420 2.559 20 0 CFADRP C[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)[C@@H]1C[NH3+] ZINC000647496710 395358662 /nfs/dbraw/zinc/35/86/62/395358662.db2.gz DCLPHBUBRBFCPH-WMLDXEAASA-N 2 0 296.418 2.703 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000647491681 395358677 /nfs/dbraw/zinc/35/86/77/395358677.db2.gz BGBLVVQPPOOJIY-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647492167 395358728 /nfs/dbraw/zinc/35/87/28/395358728.db2.gz KVGQRMFWJITDHG-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@H](C)Oc1cc(CN(C)[C@H](C)C[NH3+])ccc1OC ZINC000647496030 395358803 /nfs/dbraw/zinc/35/88/03/395358803.db2.gz FKJJULVNKWYYQI-OLZOCXBDSA-N 2 0 280.412 2.652 20 0 CFADRP COc1nc2ccccc2cc1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000647496691 395359088 /nfs/dbraw/zinc/35/90/88/395359088.db2.gz BANAIDFGVPYCTP-SUMWQHHRSA-N 2 0 299.418 2.803 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@H]1[NH3+] ZINC000647497635 395360342 /nfs/dbraw/zinc/36/03/42/395360342.db2.gz OEWKTPIGUALANY-RHSMWYFYSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@H]1[NH3+] ZINC000647497636 395362153 /nfs/dbraw/zinc/36/21/53/395362153.db2.gz OEWKTPIGUALANY-WMLDXEAASA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@H]1[NH3+] ZINC000647498822 395363380 /nfs/dbraw/zinc/36/33/80/395363380.db2.gz RKAPPSMKXOHUPO-CZUORRHYSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000647516403 395370656 /nfs/dbraw/zinc/37/06/56/395370656.db2.gz PBHGYFJSNCMVOQ-IAGOWNOFSA-N 2 0 258.409 2.995 20 0 CFADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000647518192 395372487 /nfs/dbraw/zinc/37/24/87/395372487.db2.gz MMNXPBKGQJLGNW-WMZOPIPTSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1ccc2cc(C[NH+]3CCC(C)([NH3+])CC3)ccc2n1 ZINC000647531053 395374810 /nfs/dbraw/zinc/37/48/10/395374810.db2.gz ZGIOREBPGVSNAO-UHFFFAOYSA-N 2 0 269.392 2.856 20 0 CFADRP Cc1cc(C[NH+]2CCC(C)([NH3+])CC2)cc2cccnc12 ZINC000647530780 395374877 /nfs/dbraw/zinc/37/48/77/395374877.db2.gz FJKRFSWIYXUUCG-UHFFFAOYSA-N 2 0 269.392 2.856 20 0 CFADRP COc1c(C)cc(C[NH+]2CCC(C)([NH3+])CC2)cc1C ZINC000647531137 395376072 /nfs/dbraw/zinc/37/60/72/395376072.db2.gz CYNYCKQMBLBALY-UHFFFAOYSA-N 2 0 262.397 2.625 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000647537753 395381106 /nfs/dbraw/zinc/38/11/06/395381106.db2.gz GGGYGWMODUOPOE-XJKSGUPXSA-N 2 0 260.381 2.529 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543511 395384868 /nfs/dbraw/zinc/38/48/68/395384868.db2.gz OMJMUIZDVPTDRM-IRXDYDNUSA-N 2 0 288.435 2.907 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000647545477 395385833 /nfs/dbraw/zinc/38/58/33/395385833.db2.gz RPJSOQJIWSOCBK-HZPDHXFCSA-N 2 0 294.483 2.890 20 0 CFADRP CC1(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCC1 ZINC000647543849 395386285 /nfs/dbraw/zinc/38/62/85/395386285.db2.gz SVOPLIWONVKJBR-CABCVRRESA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000647549531 395388190 /nfs/dbraw/zinc/38/81/90/395388190.db2.gz GDEZNSFFCHHHGV-RRFJBIMHSA-N 2 0 262.372 2.612 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549246 395388448 /nfs/dbraw/zinc/38/84/48/395388448.db2.gz PAGAEHDNBVDLQO-VVLHAWIVSA-N 2 0 288.435 2.740 20 0 CFADRP Cc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)cc1 ZINC000647553155 395392250 /nfs/dbraw/zinc/39/22/50/395392250.db2.gz DCNSAJFLCFGFFB-UHFFFAOYSA-N 2 0 258.409 2.963 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1OC(C)C ZINC000647552767 395392295 /nfs/dbraw/zinc/39/22/95/395392295.db2.gz VRCGTYKPHXPMHW-CHWSQXEVSA-N 2 0 280.412 2.698 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000647553850 395393544 /nfs/dbraw/zinc/39/35/44/395393544.db2.gz KYIPXXVVGCJEPS-INIZCTEOSA-N 2 0 273.424 2.587 20 0 CFADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000647874698 395448968 /nfs/dbraw/zinc/44/89/68/395448968.db2.gz NKPCBWJIVIULEF-ZBFHGGJFSA-N 2 0 276.424 2.558 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CCOc1ccccc1F ZINC000647873387 395449310 /nfs/dbraw/zinc/44/93/10/395449310.db2.gz CZRKCKOVBHIUMQ-UHFFFAOYSA-N 2 0 294.414 2.916 20 0 CFADRP CC(C)C[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647879562 395449863 /nfs/dbraw/zinc/44/98/63/395449863.db2.gz QJJMKCMKXFUFOT-KRWDZBQOSA-N 2 0 260.425 2.797 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(OC)c1 ZINC000647880384 395450128 /nfs/dbraw/zinc/45/01/28/395450128.db2.gz RWGIFQISXJEYIS-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647881181 395450768 /nfs/dbraw/zinc/45/07/68/395450768.db2.gz OHEMJXWPBFHBPC-CXAGYDPISA-N 2 0 256.393 2.748 20 0 CFADRP c1cc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000647989628 395473567 /nfs/dbraw/zinc/47/35/67/395473567.db2.gz PFZZTFYYJNQPFC-LBPRGKRZSA-N 2 0 250.411 2.537 20 0 CFADRP COCC[N@H+](CCCC1CC[NH2+]CC1)C1CCCC1 ZINC000647883362 395451484 /nfs/dbraw/zinc/45/14/84/395451484.db2.gz JJFOBCWEAQZTDE-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000647889383 395453396 /nfs/dbraw/zinc/45/33/96/395453396.db2.gz LVTLRQBOBCMANO-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000647892204 395454817 /nfs/dbraw/zinc/45/48/17/395454817.db2.gz BLPFQUCMPNVLME-WBMJQRKESA-N 2 0 262.372 2.866 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000647910534 395456099 /nfs/dbraw/zinc/45/60/99/395456099.db2.gz VTIKVMZKKRVQPY-AWEZNQCLSA-N 2 0 256.459 2.735 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccccc2OC)CC[C@H]1[NH3+] ZINC000647935090 395460626 /nfs/dbraw/zinc/46/06/26/395460626.db2.gz ZEACNRSYUDPDQL-GDBMZVCRSA-N 2 0 276.424 2.687 20 0 CFADRP COC[C@@H]1CCCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647991169 395474302 /nfs/dbraw/zinc/47/43/02/395474302.db2.gz FJIYNDFYMYGBHH-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647990764 395474385 /nfs/dbraw/zinc/47/43/85/395474385.db2.gz DUTIRLATTOOGMT-INIZCTEOSA-N 2 0 290.455 2.943 20 0 CFADRP Cc1cccc([C@@H]2CCCN2C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000647960139 395466845 /nfs/dbraw/zinc/46/68/45/395466845.db2.gz HXPPAKCXPIMUBM-MSOLQXFVSA-N 2 0 290.451 2.833 20 0 CFADRP Cc1ccccc1[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647959927 395466855 /nfs/dbraw/zinc/46/68/55/395466855.db2.gz VFNRMMRXECNPDV-FUHWJXTLSA-N 2 0 290.451 2.833 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977568 395471430 /nfs/dbraw/zinc/47/14/30/395471430.db2.gz DQBRZLRUOLKHDX-ZWKOTPCHSA-N 3 0 293.499 2.574 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976340 395471588 /nfs/dbraw/zinc/47/15/88/395471588.db2.gz NGZBEAUMWZKJAU-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977924 395471620 /nfs/dbraw/zinc/47/16/20/395471620.db2.gz JXOYGXLGBRKMRQ-CVEARBPZSA-N 2 0 268.445 2.515 20 0 CFADRP Fc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647786672 395427826 /nfs/dbraw/zinc/42/78/26/395427826.db2.gz VJVPLYMFDMOIJT-JJRVBVJISA-N 2 0 288.410 2.835 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000647786495 395427904 /nfs/dbraw/zinc/42/79/04/395427904.db2.gz QTIXQMFJAQZMII-DUFGSWQCSA-N 2 0 276.399 2.907 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785471 395427972 /nfs/dbraw/zinc/42/79/72/395427972.db2.gz AEQPLSHZNPTLFN-BHYGNILZSA-N 2 0 288.435 2.952 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786500 395428052 /nfs/dbraw/zinc/42/80/52/395428052.db2.gz QVXAOKHCEOQRPQ-NUEKZKHPSA-N 2 0 274.408 2.563 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c[nH]c21 ZINC000647786771 395428159 /nfs/dbraw/zinc/42/81/59/395428159.db2.gz YKNKMSNAERXZKO-DJIMGWMZSA-N 2 0 297.446 2.997 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000647788630 395428892 /nfs/dbraw/zinc/42/88/92/395428892.db2.gz NJXYIHRZYLPZRU-WNRNVDISSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1cccc(F)c1 ZINC000647788875 395428924 /nfs/dbraw/zinc/42/89/24/395428924.db2.gz UIDPMGAMMHHYDG-HLPPOEQASA-N 2 0 292.398 2.571 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000647788629 395429027 /nfs/dbraw/zinc/42/90/27/395429027.db2.gz NJXYIHRZYLPZRU-BSDSXHPESA-N 2 0 294.483 2.950 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789954 395429682 /nfs/dbraw/zinc/42/96/82/395429682.db2.gz OHTLGOVWVBBMKV-USXIJHARSA-N 2 0 288.435 2.871 20 0 CFADRP Fc1ccc(C2(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647789844 395429768 /nfs/dbraw/zinc/42/97/68/395429768.db2.gz MKXCRVYUKWRZOF-JKIFEVAISA-N 2 0 288.410 2.835 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1F ZINC000647793759 395430164 /nfs/dbraw/zinc/43/01/64/395430164.db2.gz HFXFIQPOXGWXSY-YNEHKIRRSA-N 2 0 298.352 2.624 20 0 CFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647793108 395430490 /nfs/dbraw/zinc/43/04/90/395430490.db2.gz KUKZMAJYZYUORN-PAURTPPISA-N 2 0 274.408 2.881 20 0 CFADRP Fc1cccc(NCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647793991 395431121 /nfs/dbraw/zinc/43/11/21/395431121.db2.gz NVDBDPICJKGOGB-JJRVBVJISA-N 2 0 291.414 2.605 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647795844 395432059 /nfs/dbraw/zinc/43/20/59/395432059.db2.gz YCPYHBBPPHNKAV-ZKYQVNSYSA-N 2 0 282.790 2.957 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647795735 395432116 /nfs/dbraw/zinc/43/21/16/395432116.db2.gz VEDBDFHNRKIECA-QLFBSQMISA-N 2 0 291.464 2.671 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647795421 395432211 /nfs/dbraw/zinc/43/22/11/395432211.db2.gz PVIMHVLKZWYXDA-BSDSXHPESA-N 2 0 288.435 2.742 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647796649 395432584 /nfs/dbraw/zinc/43/25/84/395432584.db2.gz IDAMXBBMDJGGCJ-BZUAXINKSA-N 2 0 290.476 2.929 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647797930 395432996 /nfs/dbraw/zinc/43/29/96/395432996.db2.gz HMCBKHHTHQYFKT-GRYCIOLGSA-N 2 0 299.340 2.578 20 0 CFADRP Fc1ccc(CC2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647798900 395433994 /nfs/dbraw/zinc/43/39/94/395433994.db2.gz YXCLULLOJAAZGK-YQQAZPJKSA-N 2 0 288.410 2.879 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800888 395435034 /nfs/dbraw/zinc/43/50/34/395435034.db2.gz LJFVPQHJCPBISF-MELADBBJSA-N 2 0 292.448 2.647 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1(c2ccccc2F)CCC1 ZINC000647802432 395435652 /nfs/dbraw/zinc/43/56/52/395435652.db2.gz LJXJFOTXQQXHBV-NWDGAFQWSA-N 2 0 250.361 2.920 20 0 CFADRP COc1ccccc1C1([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000647996259 395474972 /nfs/dbraw/zinc/47/49/72/395474972.db2.gz DUZBBEIHQPOGLL-AWEZNQCLSA-N 2 0 274.408 2.664 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCN2C)CC1 ZINC000649489899 395507821 /nfs/dbraw/zinc/50/78/21/395507821.db2.gz LJFVZUGCGINISH-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CC[C@H]1CCCC[NH+]1C ZINC000649413790 395489330 /nfs/dbraw/zinc/48/93/30/395489330.db2.gz FRLTXCGDZVFAJN-QGZVFWFLSA-N 3 0 281.488 2.572 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417822 395490556 /nfs/dbraw/zinc/49/05/56/395490556.db2.gz IWSMNNSNKOSOAJ-OIISXLGYSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000649417720 395490797 /nfs/dbraw/zinc/49/07/97/395490797.db2.gz CCLGJFWBWQEMDM-CABCVRRESA-N 2 0 277.412 2.503 20 0 CFADRP C[C@H]1CCCC[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072352 395497518 /nfs/dbraw/zinc/49/75/18/395497518.db2.gz ZKXVEHUVGFPJMS-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037209658 543027470 /nfs/dbraw/zinc/02/74/70/543027470.db2.gz SBQBBWZPXAFSQT-CVEARBPZSA-N 3 0 283.504 2.817 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000037565261 543030013 /nfs/dbraw/zinc/03/00/13/543030013.db2.gz OEEOVXTUDNJHFS-OAHLLOKOSA-N 2 0 258.409 2.790 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@H](C)C(C)(C)C)N1CC[NH+](C)CC1 ZINC000380041327 543069621 /nfs/dbraw/zinc/06/96/21/543069621.db2.gz YUICDVMLAUCLMA-JKSUJKDBSA-N 2 0 283.504 2.530 20 0 CFADRP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020524733 292066183 /nfs/dbraw/zinc/06/61/83/292066183.db2.gz HFXKPFCUBJCLAZ-CYBMUJFWSA-N 2 0 256.434 2.652 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000381769240 543091037 /nfs/dbraw/zinc/09/10/37/543091037.db2.gz JBWQUSGZIQBDRU-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP FC1(F)CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000313361370 413096291 /nfs/dbraw/zinc/09/62/91/413096291.db2.gz OKMQVYMDMSEMST-CYBMUJFWSA-N 2 0 281.350 2.828 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000423148345 292089893 /nfs/dbraw/zinc/08/98/93/292089893.db2.gz VFLAPLDITZBUGR-HZPDHXFCSA-N 2 0 258.409 2.804 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067453028 292105697 /nfs/dbraw/zinc/10/56/97/292105697.db2.gz UMVDPGMELJKNEQ-CALCHBBNSA-N 2 0 290.451 2.974 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401133471 413160289 /nfs/dbraw/zinc/16/02/89/413160289.db2.gz PBEZWFRZDNWFJC-KBUPBQIOSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401025971 413160506 /nfs/dbraw/zinc/16/05/06/413160506.db2.gz UJWZDXHMMHIWRN-OUCADQQQSA-N 2 0 250.411 2.534 20 0 CFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401063911 413159107 /nfs/dbraw/zinc/15/91/07/413159107.db2.gz HUADPSXSZOSNKZ-REWJHTLYSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401021342 413159640 /nfs/dbraw/zinc/15/96/40/413159640.db2.gz KZQWBOPHEJKIOM-IBEHDNSVSA-N 2 0 250.430 2.790 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000401164540 413164059 /nfs/dbraw/zinc/16/40/59/413164059.db2.gz URYBWEFLNMKKND-IXDOHACOSA-N 3 0 293.499 2.619 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000038000165 397551048 /nfs/dbraw/zinc/55/10/48/397551048.db2.gz VRRHQXGVYAGWRK-OCCSQVGLSA-N 2 0 250.411 2.712 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000309959136 397645708 /nfs/dbraw/zinc/64/57/08/397645708.db2.gz KEBQMJRVUOFMEL-UHFFFAOYSA-N 2 0 256.802 2.753 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000352863819 397658631 /nfs/dbraw/zinc/65/86/31/397658631.db2.gz WUJHIPOYVSNEGR-DOTOQJQBSA-N 2 0 293.499 2.594 20 0 CFADRP COCC1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650756361 397884645 /nfs/dbraw/zinc/88/46/45/397884645.db2.gz ZOJYBCXUJSGNRJ-UHFFFAOYSA-N 2 0 280.387 2.579 20 0 CFADRP COC1(C[C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)CCC1 ZINC000453419334 292125353 /nfs/dbraw/zinc/12/53/53/292125353.db2.gz YUNUDXMRNQUKDK-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@H]1CCCC[NH2+]1 ZINC000650759454 397885106 /nfs/dbraw/zinc/88/51/06/397885106.db2.gz JWDHXOFQXFWBKD-DJIMGWMZSA-N 2 0 287.451 2.924 20 0 CFADRP CCC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccn1 ZINC000650762656 397886884 /nfs/dbraw/zinc/88/68/84/397886884.db2.gz HCJQYTMPMZIZAR-HNNXBMFYSA-N 2 0 261.413 2.902 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1Cl ZINC000650761658 397886917 /nfs/dbraw/zinc/88/69/17/397886917.db2.gz GSIJJVASZRSHKT-NSHDSACASA-N 2 0 297.830 2.784 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650762534 397887089 /nfs/dbraw/zinc/88/70/89/397887089.db2.gz CYYOMAFPHGYHNV-HZPDHXFCSA-N 2 0 282.472 2.805 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c1)CCC2 ZINC000650703619 397859692 /nfs/dbraw/zinc/85/96/92/397859692.db2.gz JERWRRLIWICIGU-IAGOWNOFSA-N 2 0 284.447 2.997 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706776 397860424 /nfs/dbraw/zinc/86/04/24/397860424.db2.gz SBJLGOZBJBTBSK-KKUMJFAQSA-N 2 0 294.464 2.775 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000650705595 397860845 /nfs/dbraw/zinc/86/08/45/397860845.db2.gz NAQGGYQAXDTAQM-OIISXLGYSA-N 2 0 292.398 2.544 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707070 397860855 /nfs/dbraw/zinc/86/08/55/397860855.db2.gz XWNMUZSQHUSGLG-DZKIICNBSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C[C@H]1C[NH3+] ZINC000650704362 397860876 /nfs/dbraw/zinc/86/08/76/397860876.db2.gz VHTUYDHUUCYODM-CZUORRHYSA-N 2 0 258.409 2.592 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705254 397860970 /nfs/dbraw/zinc/86/09/70/397860970.db2.gz AJKBZOMZHCCSSS-RCCFBDPRSA-N 2 0 288.435 2.713 20 0 CFADRP CC(C)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707661 397861744 /nfs/dbraw/zinc/86/17/44/397861744.db2.gz KLAYEMLTEJTABZ-JYJNAYRXSA-N 2 0 268.445 2.641 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762928 397887832 /nfs/dbraw/zinc/88/78/32/397887832.db2.gz NPUVXWDKWSNHOL-QGZVFWFLSA-N 2 0 273.424 2.913 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711348 397863591 /nfs/dbraw/zinc/86/35/91/397863591.db2.gz QIMAOIPZSKDNKK-NEPJUHHUSA-N 2 0 268.426 2.706 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+]CCC3(C[NH3+])CC3)c2O1 ZINC000650713388 397864681 /nfs/dbraw/zinc/86/46/81/397864681.db2.gz RCCDLQHXDHGBFV-UHFFFAOYSA-N 2 0 274.408 2.619 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713511 397866016 /nfs/dbraw/zinc/86/60/16/397866016.db2.gz VJYXVADLQZCMKD-ZDUSSCGKSA-N 2 0 286.423 2.603 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000650717925 397867486 /nfs/dbraw/zinc/86/74/86/397867486.db2.gz QWVBFFMBGPBUIA-GDBMZVCRSA-N 2 0 280.387 2.578 20 0 CFADRP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717450 397867598 /nfs/dbraw/zinc/86/75/98/397867598.db2.gz ARBDRVDLXNRXQD-LLVKDONJSA-N 2 0 250.361 2.953 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCc3ccccc3C2)c(F)c1 ZINC000650717885 397867764 /nfs/dbraw/zinc/86/77/64/397867764.db2.gz PTHUVVWSJLYQPB-KRWDZBQOSA-N 2 0 284.378 2.932 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1OC ZINC000650764043 397888458 /nfs/dbraw/zinc/88/84/58/397888458.db2.gz PBUYAFDPFSMMHX-ZDUSSCGKSA-N 2 0 292.423 2.744 20 0 CFADRP CCOc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650718299 397868560 /nfs/dbraw/zinc/86/85/60/397868560.db2.gz GIRLUMOWWFHGGB-UHFFFAOYSA-N 2 0 288.366 2.973 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000650763539 397888569 /nfs/dbraw/zinc/88/85/69/397888569.db2.gz CXDHCMKQCMJDFO-LBPRGKRZSA-N 2 0 250.361 2.866 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000650721535 397870351 /nfs/dbraw/zinc/87/03/51/397870351.db2.gz MZXFDJZKGYMFBI-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccsc2)C1 ZINC000650721999 397870398 /nfs/dbraw/zinc/87/03/98/397870398.db2.gz HZWGJRDVBYACAA-KFWWJZLASA-N 2 0 280.437 2.609 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CC[C@@H]2CCc3ccccc3N2)CC[NH2+]1 ZINC000650720972 397870519 /nfs/dbraw/zinc/87/05/19/397870519.db2.gz KDRHJGKFCRZFNO-VYDXJSESSA-N 2 0 287.451 2.781 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC2CCCC2)C1 ZINC000650723604 397871524 /nfs/dbraw/zinc/87/15/24/397871524.db2.gz QSUWHDUYLTZVDQ-BZUAXINKSA-N 2 0 266.429 2.537 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000650741643 397875553 /nfs/dbraw/zinc/87/55/53/397875553.db2.gz IMOMWINRWGPNAJ-RFBLXINOSA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741032 397876116 /nfs/dbraw/zinc/87/61/16/397876116.db2.gz WOMXYDCRWACCOZ-CABCVRRESA-N 2 0 262.372 2.717 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000650742260 397876764 /nfs/dbraw/zinc/87/67/64/397876764.db2.gz UOUPTVRZHIVBNZ-WBVHZDCISA-N 2 0 281.488 2.748 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc2c(c1)CCC2 ZINC000650742649 397876892 /nfs/dbraw/zinc/87/68/92/397876892.db2.gz AWCLXNGNDPRZFO-ZDUSSCGKSA-N 2 0 258.409 2.955 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744685 397878342 /nfs/dbraw/zinc/87/83/42/397878342.db2.gz UGBOBQMCPNQWDV-GFCCVEGCSA-N 2 0 252.427 2.788 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745994 397879488 /nfs/dbraw/zinc/87/94/88/397879488.db2.gz SXAZWTZMXGQEDB-UONOGXRCSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000650746551 397879540 /nfs/dbraw/zinc/87/95/40/397879540.db2.gz FIDDMXNGJGDCIM-BPUTZDHNSA-N 2 0 258.409 2.897 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCS2 ZINC000650746834 397879580 /nfs/dbraw/zinc/87/95/80/397879580.db2.gz MDTKEKBPRDUFED-AWEZNQCLSA-N 2 0 292.448 2.951 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650746412 397879695 /nfs/dbraw/zinc/87/96/95/397879695.db2.gz BQEBZDPQEGKRSR-AWEZNQCLSA-N 2 0 278.371 2.540 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)ccc1F ZINC000650746199 397879701 /nfs/dbraw/zinc/87/97/01/397879701.db2.gz XYCXWDUNTCXSKJ-NSHDSACASA-N 2 0 266.360 2.614 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650747832 397880360 /nfs/dbraw/zinc/88/03/60/397880360.db2.gz IPCIZBJIJPUVCU-FNHZYXHNSA-N 2 0 295.430 2.571 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)c2ccccc21 ZINC000650747493 397880476 /nfs/dbraw/zinc/88/04/76/397880476.db2.gz BDJCRWDLWPJRDO-MZMPZRCHSA-N 2 0 279.387 2.758 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CN2 ZINC000650747855 397880532 /nfs/dbraw/zinc/88/05/32/397880532.db2.gz IYZDHJKNUASVBY-QFHJOOASSA-N 2 0 299.462 2.924 20 0 CFADRP CC(C)C1CC([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650754244 397883588 /nfs/dbraw/zinc/88/35/88/397883588.db2.gz DTZNSFVOHNJABK-UHFFFAOYSA-N 2 0 250.361 2.809 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCCC1 ZINC000650753949 397883777 /nfs/dbraw/zinc/88/37/77/397883777.db2.gz YWHCQKGYMNLTRU-LLVKDONJSA-N 2 0 250.361 2.953 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000650756728 397884622 /nfs/dbraw/zinc/88/46/22/397884622.db2.gz IMLYZKKUGXMMNT-MAZHCROVSA-N 2 0 276.424 2.555 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)CCCC1 ZINC000421878408 292133195 /nfs/dbraw/zinc/13/31/95/292133195.db2.gz NGXNKKYTWKEPLH-WLYUNCDWSA-N 2 0 268.445 2.797 20 0 CFADRP C[NH+](C)CCOCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000226744231 289169872 /nfs/dbraw/zinc/16/98/72/289169872.db2.gz GOOVDSZXRFSZKL-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP CCCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660255034 413195021 /nfs/dbraw/zinc/19/50/21/413195021.db2.gz XNZGDUWKRHVNEG-HZPDHXFCSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccccc2F)[C@H]1CC[NH3+] ZINC000404295573 413196501 /nfs/dbraw/zinc/19/65/01/413196501.db2.gz NKZBKLXEYXPKDL-WFASDCNBSA-N 2 0 250.361 2.775 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404400881 413200192 /nfs/dbraw/zinc/20/01/92/413200192.db2.gz RDZAPFRUYSADJJ-BBRMVZONSA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccccc1OCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404383341 413200500 /nfs/dbraw/zinc/20/05/00/413200500.db2.gz NKGFULYAALVKPK-GJZGRUSLSA-N 2 0 292.423 2.523 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404401421 413203264 /nfs/dbraw/zinc/20/32/64/413203264.db2.gz RGHGTEZZZLCUTH-CZUORRHYSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000663424976 413203782 /nfs/dbraw/zinc/20/37/82/413203782.db2.gz MNLBYMFSJFOKCR-CYBMUJFWSA-N 2 0 267.376 2.614 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404370219 413203107 /nfs/dbraw/zinc/20/31/07/413203107.db2.gz IPWDEDBHEJNYPF-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1F ZINC000404448181 413207665 /nfs/dbraw/zinc/20/76/65/413207665.db2.gz XWNOEGDFDCOGGF-SWLSCSKDSA-N 2 0 280.387 2.784 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739958 286012685 /nfs/dbraw/zinc/01/26/85/286012685.db2.gz MIZDOGQNWUBIQG-WNRNVDISSA-N 2 0 288.435 2.884 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000279821498 286023047 /nfs/dbraw/zinc/02/30/47/286023047.db2.gz YELTUTGPZITYNS-WBVHZDCISA-N 2 0 276.424 2.838 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423211905 286024452 /nfs/dbraw/zinc/02/44/52/286024452.db2.gz HUGWWPXRBAATID-DIECFANBSA-N 2 0 276.424 2.740 20 0 CFADRP c1ccc2c(c1)CC([NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)C2 ZINC000663467698 413222285 /nfs/dbraw/zinc/22/22/85/413222285.db2.gz HDLORTGVIBSYAM-MRXNPFEDSA-N 2 0 284.447 2.865 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466919 413222369 /nfs/dbraw/zinc/22/23/69/413222369.db2.gz BHPJJBGLTPCRNJ-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1C[N@@H+]([C@@H](CC)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000405480075 413222907 /nfs/dbraw/zinc/22/29/07/413222907.db2.gz XAZJXJZTRXTJIQ-VNQPRFMTSA-N 2 0 280.387 2.572 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000663466780 413223043 /nfs/dbraw/zinc/22/30/43/413223043.db2.gz XOJSVFWIKZQDMG-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656786254 413223435 /nfs/dbraw/zinc/22/34/35/413223435.db2.gz QYSGAIBDUGLHIP-KRWDZBQOSA-N 2 0 290.455 2.676 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465266 413225323 /nfs/dbraw/zinc/22/53/23/413225323.db2.gz IWWYPWNWPCYTCK-WMLDXEAASA-N 2 0 276.424 2.922 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786424 413225474 /nfs/dbraw/zinc/22/54/74/413225474.db2.gz SJMSEZLFXWXKOO-AWEZNQCLSA-N 2 0 293.480 2.917 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000422885276 286049649 /nfs/dbraw/zinc/04/96/49/286049649.db2.gz GSFXCOWWPOOCCD-ZIAGYGMSSA-N 2 0 256.434 2.689 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368566619 292193582 /nfs/dbraw/zinc/19/35/82/292193582.db2.gz JEAMTNKXTNPZSB-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423118365 292193605 /nfs/dbraw/zinc/19/36/05/292193605.db2.gz AEXCMQCLPIWODK-KGLIPLIRSA-N 2 0 256.434 2.559 20 0 CFADRP C[NH2+]Cc1ccc(NCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656787117 413227857 /nfs/dbraw/zinc/22/78/57/413227857.db2.gz UHCVNYPCABMQOH-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656787286 413228119 /nfs/dbraw/zinc/22/81/19/413228119.db2.gz WJLXRLUZSCFJEL-MRXNPFEDSA-N 2 0 290.455 2.676 20 0 CFADRP C[C@@]1(C[N@@H+]2CCc3ccccc3C(C)(C)C2)CC[NH2+]C1 ZINC000656787574 413228979 /nfs/dbraw/zinc/22/89/79/413228979.db2.gz NQWYERRHJUFOTB-GOSISDBHSA-N 2 0 272.436 2.822 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663470190 413230093 /nfs/dbraw/zinc/23/00/93/413230093.db2.gz STSTZKWJNPAEFH-KRWDZBQOSA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663470193 413230318 /nfs/dbraw/zinc/23/03/18/413230318.db2.gz STSTZKWJNPAEFH-QGZVFWFLSA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2ccnc3ccccc23)CCCC1 ZINC000656788633 413230442 /nfs/dbraw/zinc/23/04/42/413230442.db2.gz VWPFHMGRYNCNAW-UHFFFAOYSA-N 2 0 255.365 2.596 20 0 CFADRP Cc1csc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000656786683 413231728 /nfs/dbraw/zinc/23/17/28/413231728.db2.gz WKSNYDMZTCBXNR-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@]1(C[N@@H+]2CCc3ccccc3C(C)(C)C2)CC[NH2+]C1 ZINC000656787575 413231823 /nfs/dbraw/zinc/23/18/23/413231823.db2.gz NQWYERRHJUFOTB-SFHVURJKSA-N 2 0 272.436 2.822 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC000663468050 413231072 /nfs/dbraw/zinc/23/10/72/413231072.db2.gz JZRQEWYQWGQQNA-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC=CC2)[C@H](C)C1 ZINC000660305278 413235248 /nfs/dbraw/zinc/23/52/48/413235248.db2.gz JZXHMHIIFXRQCC-NVXWUHKLSA-N 2 0 280.456 2.679 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660305361 413234567 /nfs/dbraw/zinc/23/45/67/413234567.db2.gz KZMZQQHTLUPYII-OAGGEKHMSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1([NH3+])CCCC1 ZINC000656789559 413234605 /nfs/dbraw/zinc/23/46/05/413234605.db2.gz QCORQZWGCVVHME-SNVBAGLBSA-N 2 0 252.324 2.969 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](CC(C)C)CC3)C[C@H]2C1 ZINC000424273310 286114441 /nfs/dbraw/zinc/11/44/41/286114441.db2.gz WLGWOMRGMHPXES-JQKHNHIHSA-N 2 0 294.483 2.900 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354512332 286150845 /nfs/dbraw/zinc/15/08/45/286150845.db2.gz NZHWMPPYHQXQDY-JJXSEGSLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C3CCC3)C2)CC[NH2+]1 ZINC000663500339 413243759 /nfs/dbraw/zinc/24/37/59/413243759.db2.gz KHNSICYVXVZTCM-IIAWOOMASA-N 2 0 250.430 2.887 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)C[C@]1(C)CC[NH2+]C1 ZINC000663501815 413244370 /nfs/dbraw/zinc/24/43/70/413244370.db2.gz BBHYNOKXACLHMM-NVXWUHKLSA-N 2 0 258.409 2.648 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000663499779 413245861 /nfs/dbraw/zinc/24/58/61/413245861.db2.gz MPGQUVZKASLIGE-GFCCVEGCSA-N 2 0 290.329 2.890 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCC12CCCC2 ZINC000189148469 286198741 /nfs/dbraw/zinc/19/87/41/286198741.db2.gz VPTUWXRWENCGPB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](C)CCC[NH3+])C1CCCC1 ZINC000422833620 286200382 /nfs/dbraw/zinc/20/03/82/286200382.db2.gz ZBBPJOVSWSXPDG-HIFRSBDPSA-N 2 0 256.434 2.689 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000155691342 286200464 /nfs/dbraw/zinc/20/04/64/286200464.db2.gz OWXZKFIAJXUJRT-ILXRZTDVSA-N 2 0 256.434 2.510 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499065 413247507 /nfs/dbraw/zinc/24/75/07/413247507.db2.gz WBKVOJAKWNDRIM-WGMOCZARSA-N 2 0 274.383 2.803 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1O ZINC000663504482 413251043 /nfs/dbraw/zinc/25/10/43/413251043.db2.gz YRLDFGMJSGVVPK-DZGCQCFKSA-N 2 0 294.439 2.685 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](CCC2CC2)CC2CC2)CC[NH2+]1 ZINC000663502222 413251531 /nfs/dbraw/zinc/25/15/31/413251531.db2.gz FRKMUUDRYREOQK-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP COCC1(C[NH2+][C@@H](C)C2CCCCCC2)CC[NH2+]CC1 ZINC000423412302 292245949 /nfs/dbraw/zinc/24/59/49/292245949.db2.gz WMUBOMIIINKBPO-HNNXBMFYSA-N 2 0 282.472 2.951 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000353545792 292248509 /nfs/dbraw/zinc/24/85/09/292248509.db2.gz DZILFAWTCGYNKN-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000423400640 292249202 /nfs/dbraw/zinc/24/92/02/292249202.db2.gz FVSSMCVEMSXAOH-BZUAXINKSA-N 2 0 282.472 2.807 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C12CCCC2 ZINC000422813228 286277063 /nfs/dbraw/zinc/27/70/63/286277063.db2.gz YXZXOLVPDHLGCM-QDIHITRGSA-N 2 0 280.456 2.831 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000422831035 292255238 /nfs/dbraw/zinc/25/52/38/292255238.db2.gz SDKNBFUVIKFROB-KURKYZTESA-N 2 0 287.451 2.601 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C12CCCC2 ZINC000422808329 286287524 /nfs/dbraw/zinc/28/75/24/286287524.db2.gz QCVQCYXZTJSLNR-RRFJBIMHSA-N 2 0 268.445 2.831 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C1(CC)CC ZINC000344017768 286287892 /nfs/dbraw/zinc/28/78/92/286287892.db2.gz LDBQSXRGDKYYOD-RRFJBIMHSA-N 2 0 270.461 2.900 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC000422785878 292256218 /nfs/dbraw/zinc/25/62/18/292256218.db2.gz PPVHHCXHBGJUFT-SQNIBIBYSA-N 2 0 289.467 2.847 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414828502 286301510 /nfs/dbraw/zinc/30/15/10/286301510.db2.gz ZZQLWUCLVAVPSD-UXLLHSPISA-N 2 0 290.451 2.994 20 0 CFADRP COCC1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000423195934 292266406 /nfs/dbraw/zinc/26/64/06/292266406.db2.gz YNSKFNAOUJPFSA-AGERRDQYSA-N 2 0 290.451 2.740 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000234684337 292282009 /nfs/dbraw/zinc/28/20/09/292282009.db2.gz DMJLMDCLTFWCDE-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423445163 286371488 /nfs/dbraw/zinc/37/14/88/286371488.db2.gz MGWZURZEPZMZSO-MROQNXINSA-N 2 0 250.386 2.513 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356840491 155389696 /nfs/dbraw/zinc/38/96/96/155389696.db2.gz JGVGFIITDOBCLP-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@@H]1CCCOC1)C(C)C ZINC000356866028 155399672 /nfs/dbraw/zinc/39/96/72/155399672.db2.gz LLLRDYHLMFZJDD-HZPDHXFCSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000343113212 154116780 /nfs/dbraw/zinc/11/67/80/154116780.db2.gz XNHZIDRDJBAGFU-YJBOKZPZSA-N 2 0 287.451 2.506 20 0 CFADRP c1cn(Cc2ccccc2C[NH2+]Cc2ccncc2)cn1 ZINC000343157545 154128497 /nfs/dbraw/zinc/12/84/97/154128497.db2.gz FUXCLZHSPISEBW-UHFFFAOYSA-N 2 0 278.359 2.616 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])c[nH]c2c1 ZINC000422850563 292302951 /nfs/dbraw/zinc/30/29/51/292302951.db2.gz WCFUPPNMNSLANI-CZUORRHYSA-N 2 0 271.408 2.736 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348090070 154315432 /nfs/dbraw/zinc/31/54/32/154315432.db2.gz VDYWUHJUKCCUGJ-CFVMTHIKSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@H]1CCC[NH+]1C ZINC000348187252 154354472 /nfs/dbraw/zinc/35/44/72/154354472.db2.gz PPKKPCORUDHQLT-CQSZACIVSA-N 2 0 284.444 2.524 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CCc2csc(C)n2)C[C@@H]1C ZINC000348187082 154355106 /nfs/dbraw/zinc/35/51/06/154355106.db2.gz GHZKKECQWDVLFO-SWLSCSKDSA-N 2 0 281.469 2.799 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000660416628 413297199 /nfs/dbraw/zinc/29/71/99/413297199.db2.gz UXQDRMSRBDCZQB-IAGOWNOFSA-N 2 0 282.472 2.998 20 0 CFADRP COCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118001480 292320643 /nfs/dbraw/zinc/32/06/43/292320643.db2.gz FIVKQMSKMIMWKO-QGZVFWFLSA-N 2 0 282.472 2.857 20 0 CFADRP C(C[NH+]1CCC(OC2CCCC2)CC1)C1CC[NH2+]CC1 ZINC000359186171 156017109 /nfs/dbraw/zinc/01/71/09/156017109.db2.gz GXSQJAQDPLAZDY-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000359199698 156020850 /nfs/dbraw/zinc/02/08/50/156020850.db2.gz DWWHDYNVUHAGBX-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000360176455 156041398 /nfs/dbraw/zinc/04/13/98/156041398.db2.gz BBUIOVNJGXHPJB-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC2(CC2)CC1 ZINC000362929483 156118044 /nfs/dbraw/zinc/11/80/44/156118044.db2.gz FEEFMLCGLWYXQD-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP COCCCC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000362949420 156123624 /nfs/dbraw/zinc/12/36/24/156123624.db2.gz ZTQGZMJZEAJNHR-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000362978178 156135840 /nfs/dbraw/zinc/13/58/40/156135840.db2.gz XXGZSYGSSJANDV-JONQDZQNSA-N 2 0 270.461 2.948 20 0 CFADRP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000363158068 156154677 /nfs/dbraw/zinc/15/46/77/156154677.db2.gz SGTJPXWJVBUFBD-UHFFFAOYSA-N 2 0 288.435 2.621 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000364818994 156224179 /nfs/dbraw/zinc/22/41/79/156224179.db2.gz VPZUHVWPHSWNNR-ARFHVFGLSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367045136 156269154 /nfs/dbraw/zinc/26/91/54/156269154.db2.gz ZIENTHHFLDHDBF-SJLPKXTDSA-N 2 0 285.435 2.959 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367045137 156269661 /nfs/dbraw/zinc/26/96/61/156269661.db2.gz ZIENTHHFLDHDBF-WMZOPIPTSA-N 2 0 285.435 2.959 20 0 CFADRP C(C[NH+]1CC[C@@H](C2CC2)C1)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000367044833 156270235 /nfs/dbraw/zinc/27/02/35/156270235.db2.gz HXAJUQHMRPZTFX-CALCHBBNSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@H](F)CC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132559 156285746 /nfs/dbraw/zinc/28/57/46/156285746.db2.gz CWUKNBYEHBLKTI-UONOGXRCSA-N 2 0 268.420 2.931 20 0 CFADRP CC(C)OCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367309202 156311397 /nfs/dbraw/zinc/31/13/97/156311397.db2.gz HBVSBDDDUYWKSV-OAHLLOKOSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000367552222 156347603 /nfs/dbraw/zinc/34/76/03/156347603.db2.gz MWVKWDWGQOTXEM-KSZLIROESA-N 3 0 295.515 2.958 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367602187 156359714 /nfs/dbraw/zinc/35/97/14/156359714.db2.gz RREHDNHWFUZOMR-ARFHVFGLSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000367602666 156360794 /nfs/dbraw/zinc/36/07/94/156360794.db2.gz VHTYFFPFDXLNOL-HRCADAONSA-N 2 0 262.372 2.788 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@@H]2CCC[C@H]21 ZINC000367615749 156363904 /nfs/dbraw/zinc/36/39/04/156363904.db2.gz MAXBCQFXHQLXQY-YESZJQIVSA-N 2 0 276.399 2.831 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367617476 156365133 /nfs/dbraw/zinc/36/51/33/156365133.db2.gz NLBTYUGFJDJXTA-GVDBMIGSSA-N 2 0 274.408 2.658 20 0 CFADRP CCSCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367615190 156365153 /nfs/dbraw/zinc/36/51/53/156365153.db2.gz KIYOHRMFOLSSOG-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CCCn2ccnc2)CCO1 ZINC000367752468 156386718 /nfs/dbraw/zinc/38/67/18/156386718.db2.gz GZBUFWMYLMAIEC-QGZVFWFLSA-N 2 0 285.391 2.655 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000414881744 299784708 /nfs/dbraw/zinc/78/47/08/299784708.db2.gz SQSWHCXAIDUDKN-GOEBONIOSA-N 2 0 279.472 2.501 20 0 CFADRP CC(C)c1nccn1[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000374273250 157091790 /nfs/dbraw/zinc/09/17/90/157091790.db2.gz SHJNNDMKFOAZSZ-MRXNPFEDSA-N 2 0 289.423 2.990 20 0 CFADRP F[C@]1(c2ccccc2)CC[N@H+](CCCn2ccnc2)C1 ZINC000374539124 157126780 /nfs/dbraw/zinc/12/67/80/157126780.db2.gz UMQFLDCGRABQRB-MRXNPFEDSA-N 2 0 273.355 2.844 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000374927719 157173349 /nfs/dbraw/zinc/17/33/49/157173349.db2.gz MTWUZMUPFUYJKU-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]1CC[N@H+](CCCCCF)C[C@H]1n1ccnc1 ZINC000375373285 157234983 /nfs/dbraw/zinc/23/49/83/157234983.db2.gz KZAGLHDSWPDKBB-UONOGXRCSA-N 2 0 253.365 2.906 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCn2cccn2)[C@H]1c1ccccc1 ZINC000375447357 157243677 /nfs/dbraw/zinc/24/36/77/157243677.db2.gz ZTPNNGFHQBBQRY-QZTJIDSGSA-N 2 0 298.434 2.556 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000375486124 157249653 /nfs/dbraw/zinc/24/96/53/157249653.db2.gz XDIXYYRLRQXHKN-KZNAEPCWSA-N 2 0 288.435 2.838 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2cnccn2)CC1 ZINC000375673713 157266674 /nfs/dbraw/zinc/26/66/74/157266674.db2.gz QUNIEORBCWOGTK-INIZCTEOSA-N 2 0 288.439 2.530 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000375767786 157283330 /nfs/dbraw/zinc/28/33/30/157283330.db2.gz IWBZJLYXKQLWJG-DOTOQJQBSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375840825 157294502 /nfs/dbraw/zinc/29/45/02/157294502.db2.gz QJFHBYSSWDGNSD-KGLIPLIRSA-N 2 0 270.380 2.815 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000375842177 157294849 /nfs/dbraw/zinc/29/48/49/157294849.db2.gz UXINNRVOGIJFKO-ZFWWWQNUSA-N 2 0 278.444 2.743 20 0 CFADRP Cc1nc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cs1 ZINC000376000531 157313916 /nfs/dbraw/zinc/31/39/16/157313916.db2.gz PQLJLYIKRIFWKN-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@H](C)C1 ZINC000376149369 157327975 /nfs/dbraw/zinc/32/79/75/157327975.db2.gz OBBFOOKMEFAPTO-JLSDUUJJSA-N 2 0 288.435 2.620 20 0 CFADRP COCCC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180415943 292377544 /nfs/dbraw/zinc/37/75/44/292377544.db2.gz WXPTUJOOJGHHAE-CYBMUJFWSA-N 2 0 256.434 2.654 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000246463478 292377941 /nfs/dbraw/zinc/37/79/41/292377941.db2.gz QBABBPTZLXIAFG-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657299173 413412861 /nfs/dbraw/zinc/41/28/61/413412861.db2.gz ZFFPPVDUVYIJHJ-UHFFFAOYSA-N 2 0 258.369 2.793 20 0 CFADRP Cc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1C ZINC000657300142 413417821 /nfs/dbraw/zinc/41/78/21/413417821.db2.gz JGAHFXCGKREJGL-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537656 298379484 /nfs/dbraw/zinc/37/94/84/298379484.db2.gz DLMZFCQROUVLDX-WRWGMCAJSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000422948177 298399283 /nfs/dbraw/zinc/39/92/83/298399283.db2.gz ZYUBTNRKWYREKN-OLZOCXBDSA-N 2 0 278.396 2.626 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CSCCc2ccccc21 ZINC000423459184 298400072 /nfs/dbraw/zinc/40/00/72/298400072.db2.gz QXFDIKNTTUXWAC-DOMZBBRYSA-N 2 0 264.438 2.734 20 0 CFADRP CCCn1nccc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000657312572 413430945 /nfs/dbraw/zinc/43/09/45/413430945.db2.gz KYQKBLJOODNFGV-UHFFFAOYSA-N 2 0 292.471 2.895 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1(C)C ZINC000344316446 162006356 /nfs/dbraw/zinc/00/63/56/162006356.db2.gz ZXMHFFNXXYVMLV-ZQDZILKHSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000344476625 162053108 /nfs/dbraw/zinc/05/31/08/162053108.db2.gz OYWJHOGDOWGQQZ-KSSFIOAISA-N 2 0 281.403 2.788 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000344688661 162099809 /nfs/dbraw/zinc/09/98/09/162099809.db2.gz VMDLVEWSMMVAAX-RHSMWYFYSA-N 2 0 298.434 2.957 20 0 CFADRP COCc1csc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000657318319 413441047 /nfs/dbraw/zinc/44/10/47/413441047.db2.gz JXGZOFISUYEBFP-ZDUSSCGKSA-N 2 0 282.453 2.716 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CC2CCCC2)CC1 ZINC000344732067 162111275 /nfs/dbraw/zinc/11/12/75/162111275.db2.gz HBYUUQCVHXLYOT-HNNXBMFYSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344744127 162113273 /nfs/dbraw/zinc/11/32/73/162113273.db2.gz KHBAHKHSTYBYTJ-CVEARBPZSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(c2ccncc2Cl)C[C@@H]1C ZINC000345145144 162187106 /nfs/dbraw/zinc/18/71/06/162187106.db2.gz DQUPWMFYKXQFRT-WDEREUQCSA-N 2 0 253.777 2.654 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]CCCCOc1ccccc1 ZINC000345161905 162189432 /nfs/dbraw/zinc/18/94/32/162189432.db2.gz JFMDDCALRRGGEK-OAHLLOKOSA-N 2 0 264.413 2.775 20 0 CFADRP CC(C)[N@@H+]1CCc2nc(CN3CC[C@@H](C)C3)sc2C1 ZINC000346131228 162326587 /nfs/dbraw/zinc/32/65/87/162326587.db2.gz AAEMBFPBQKFLNY-GFCCVEGCSA-N 2 0 279.453 2.751 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C(C)C)C1CC1 ZINC000346189837 162344357 /nfs/dbraw/zinc/34/43/57/162344357.db2.gz ZRWBEDZNYKINMN-UHFFFAOYSA-N 2 0 270.380 2.949 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ccccn2)C1 ZINC000660626751 413444081 /nfs/dbraw/zinc/44/40/81/413444081.db2.gz LJNOLLZMHLIBJP-JKSUJKDBSA-N 2 0 273.424 2.745 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000346187943 162346176 /nfs/dbraw/zinc/34/61/76/162346176.db2.gz BWYDIEYTLNILGO-HNNXBMFYSA-N 2 0 282.391 2.808 20 0 CFADRP CCc1cnc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000346219918 162355848 /nfs/dbraw/zinc/35/58/48/162355848.db2.gz NKWBJLPAXIDGRE-TZMCWYRMSA-N 2 0 281.469 2.868 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000657325574 413448946 /nfs/dbraw/zinc/44/89/46/413448946.db2.gz KAMYNGKBCGGPNC-IXDOHACOSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000350022489 163052166 /nfs/dbraw/zinc/05/21/66/163052166.db2.gz YDCCOBCIQVPMBT-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@H](C)CC2CCOCC2)CC1 ZINC000350019481 163052744 /nfs/dbraw/zinc/05/27/44/163052744.db2.gz VNTPPDIGGLYSDC-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000350121056 163061124 /nfs/dbraw/zinc/06/11/24/163061124.db2.gz JIYSIWLJNVDIFJ-UHFFFAOYSA-N 2 0 296.842 2.537 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1SC ZINC000351493085 163133440 /nfs/dbraw/zinc/13/34/40/163133440.db2.gz LTLRVDCNPNTQKF-BFHYXJOUSA-N 2 0 292.448 2.586 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]12 ZINC000351489471 163134381 /nfs/dbraw/zinc/13/43/81/163134381.db2.gz HGAVZXACRFTHBJ-VNQPRFMTSA-N 2 0 299.443 2.979 20 0 CFADRP CCOC1CC(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000351722105 163182164 /nfs/dbraw/zinc/18/21/64/163182164.db2.gz UUNPYPVNNCXCRM-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCCOC ZINC000351825511 163198679 /nfs/dbraw/zinc/19/86/79/163198679.db2.gz ICNJEKRNEFPQFY-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1cnn(C)c1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352768158 163231318 /nfs/dbraw/zinc/23/13/18/163231318.db2.gz FIEASPPGWYNIID-GASCZTMLSA-N 2 0 292.471 2.576 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000660642065 413456365 /nfs/dbraw/zinc/45/63/65/413456365.db2.gz MXOIYVZPABSNRR-KZNAEPCWSA-N 2 0 270.420 2.960 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000352823833 163243702 /nfs/dbraw/zinc/24/37/02/163243702.db2.gz ORSVJBMRFKEJCI-NVXWUHKLSA-N 2 0 293.499 2.594 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000352881480 163258611 /nfs/dbraw/zinc/25/86/11/163258611.db2.gz ZPPZAJIBTNNZFQ-HZPDHXFCSA-N 2 0 270.461 2.734 20 0 CFADRP COc1ccccc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353223354 163319649 /nfs/dbraw/zinc/31/96/49/163319649.db2.gz IOFOQHDVCZOALF-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP CCc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)o1 ZINC000353223251 163320574 /nfs/dbraw/zinc/32/05/74/163320574.db2.gz SBRLQLASWBRDIL-UHFFFAOYSA-N 2 0 282.453 2.759 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2F)[C@H]2CCC[C@H]21 ZINC000353391604 163356964 /nfs/dbraw/zinc/35/69/64/163356964.db2.gz DCJPTIOBDWKOLX-VNQPRFMTSA-N 2 0 292.398 2.667 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000353459721 163370129 /nfs/dbraw/zinc/37/01/29/163370129.db2.gz IFTNJQBIWWHUSD-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353525561 163386071 /nfs/dbraw/zinc/38/60/71/163386071.db2.gz HEWIYIKBFWHWDM-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000353528668 163387378 /nfs/dbraw/zinc/38/73/78/163387378.db2.gz ONWPQGFZICBFTL-UHFFFAOYSA-N 2 0 276.424 2.538 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)C2)C1 ZINC000660642064 413458067 /nfs/dbraw/zinc/45/80/67/413458067.db2.gz MXOIYVZPABSNRR-KURKYZTESA-N 2 0 270.420 2.960 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000660642230 413458300 /nfs/dbraw/zinc/45/83/00/413458300.db2.gz NTTMLNCFVXWUMP-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CO1 ZINC000657332127 413460134 /nfs/dbraw/zinc/46/01/34/413460134.db2.gz XEBOGUZPDVREID-QWHCGFSZSA-N 2 0 273.380 2.653 20 0 CFADRP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422823084 287013148 /nfs/dbraw/zinc/01/31/48/287013148.db2.gz LAXAAINWHVEHJU-CRAIPNDOSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnccn1 ZINC000247195853 287022508 /nfs/dbraw/zinc/02/25/08/287022508.db2.gz VZOPGUKTFURZMZ-HUUCEWRRSA-N 2 0 276.428 2.639 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccncc1 ZINC000038041738 287034837 /nfs/dbraw/zinc/03/48/37/287034837.db2.gz WEPWXYWSGKHQES-LSDHHAIUSA-N 2 0 261.413 2.854 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cc2[nH]cnc2cc1F ZINC001168769413 782011807 /nfs/dbraw/zinc/01/18/07/782011807.db2.gz RDYDPWHFOHLCFA-UHFFFAOYSA-N 2 0 264.348 2.702 20 0 CFADRP Cc1ccc(CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660658578 413469527 /nfs/dbraw/zinc/46/95/27/413469527.db2.gz FDFOCMYVTOBERE-SFHVURJKSA-N 2 0 272.436 2.955 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000430699539 287106740 /nfs/dbraw/zinc/10/67/40/287106740.db2.gz PVZTVWASTPJMSS-JZXOWHBKSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCOc1ccccc1)C2 ZINC000660655032 413473359 /nfs/dbraw/zinc/47/33/59/413473359.db2.gz KEWJMHJKTGPPLJ-GOSISDBHSA-N 2 0 288.435 2.873 20 0 CFADRP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660654727 413473585 /nfs/dbraw/zinc/47/35/85/413473585.db2.gz IHJIRJQAFXYKKC-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CNCc2ccnn2CC2CC2)C1 ZINC000657347644 413475351 /nfs/dbraw/zinc/47/53/51/413475351.db2.gz DRVYXYIQCSAVGW-INIZCTEOSA-N 2 0 290.455 2.503 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000193133706 287218281 /nfs/dbraw/zinc/21/82/81/287218281.db2.gz PXRLNHKBVQZRPF-OAGGEKHMSA-N 2 0 282.472 2.638 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000284341548 196034439 /nfs/dbraw/zinc/03/44/39/196034439.db2.gz MTUDZYDKGXYFKS-IRXDYDNUSA-N 2 0 288.435 2.531 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020129034 171016182 /nfs/dbraw/zinc/01/61/82/171016182.db2.gz WTPCTNBWGXMHLF-CQSZACIVSA-N 2 0 262.397 2.832 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccn1C ZINC000020359824 171158923 /nfs/dbraw/zinc/15/89/23/171158923.db2.gz FGBDATIQBXTCRV-AWEZNQCLSA-N 2 0 251.418 2.625 20 0 CFADRP C[C@H](c1cccnc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659115 413476762 /nfs/dbraw/zinc/47/67/62/413476762.db2.gz NIEMMOQGSUDWQE-GDBMZVCRSA-N 2 0 259.397 2.560 20 0 CFADRP CC(C)n1ccnc1CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000657347743 413477946 /nfs/dbraw/zinc/47/79/46/413477946.db2.gz FYYMVOZWHIOSBV-HNNXBMFYSA-N 2 0 278.444 2.674 20 0 CFADRP Cc1nc(C)c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000660659011 413478612 /nfs/dbraw/zinc/47/86/12/413478612.db2.gz LXVBNCUHPHIAEX-OAHLLOKOSA-N 2 0 279.453 2.678 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000660677114 413490774 /nfs/dbraw/zinc/49/07/74/413490774.db2.gz PJIYWZDOAXQADU-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651479550 413494892 /nfs/dbraw/zinc/49/48/92/413494892.db2.gz VOJPLZVRCWQLAP-FVQBIDKESA-N 2 0 268.445 2.654 20 0 CFADRP c1cc(C[NH2+]CC2CCSCC2)n(-c2cc[nH+]cc2)n1 ZINC000657359073 413497373 /nfs/dbraw/zinc/49/73/73/413497373.db2.gz RAWAEHILPVONOT-UHFFFAOYSA-N 2 0 288.420 2.500 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000651492002 413503322 /nfs/dbraw/zinc/50/33/22/413503322.db2.gz LNZJEQUZWNPOPG-MRXNPFEDSA-N 2 0 287.451 2.729 20 0 CFADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000653798860 413506667 /nfs/dbraw/zinc/50/66/67/413506667.db2.gz RFHQZWJJTMBCQV-UHFFFAOYSA-N 2 0 269.477 2.523 20 0 CFADRP C[NH+](C)C1(CNc2cc(Nc3ccccc3)ncn2)CC1 ZINC000664020441 413522356 /nfs/dbraw/zinc/52/23/56/413522356.db2.gz DCSQUFPHOOOIPU-UHFFFAOYSA-N 2 0 283.379 2.726 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651622863 413533606 /nfs/dbraw/zinc/53/36/06/413533606.db2.gz LHOBRCHWDBIHCZ-UHFFFAOYSA-N 2 0 287.407 2.992 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCC2CCC2)CC1 ZINC000660752917 413539942 /nfs/dbraw/zinc/53/99/42/413539942.db2.gz DIZYNXDOKQWCDE-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000651674417 413560679 /nfs/dbraw/zinc/56/06/79/413560679.db2.gz OLFBLVODLJCCRO-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676867 413561435 /nfs/dbraw/zinc/56/14/35/413561435.db2.gz QFQDVYORDDWTGU-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674617 413561845 /nfs/dbraw/zinc/56/18/45/413561845.db2.gz XHUNXIAWLBHOCN-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000651675981 413562822 /nfs/dbraw/zinc/56/28/22/413562822.db2.gz KLSODQVTRNZREU-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP FC1(F)CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657399787 413559110 /nfs/dbraw/zinc/55/91/10/413559110.db2.gz XBNWBJWOTYFONY-LLVKDONJSA-N 2 0 278.306 2.545 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651675230 413559266 /nfs/dbraw/zinc/55/92/66/413559266.db2.gz MXFRIWZNDYNSRQ-IAGOWNOFSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651674944 413559542 /nfs/dbraw/zinc/55/95/42/413559542.db2.gz GBRXBZNFIMKTNN-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000651678934 413564532 /nfs/dbraw/zinc/56/45/32/413564532.db2.gz IZOKCFJRENVXKM-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@]2(C)CC)CC1 ZINC000651705067 413581615 /nfs/dbraw/zinc/58/16/15/413581615.db2.gz GTKQEWUXWDXNND-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651708846 413581861 /nfs/dbraw/zinc/58/18/61/413581861.db2.gz CGEUKYAFTCDTDB-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000660825115 413596311 /nfs/dbraw/zinc/59/63/11/413596311.db2.gz SQHLZFWZSFXAJC-XHSDSOJGSA-N 2 0 284.488 2.834 20 0 CFADRP CCC1(CC)CCC([NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000651701945 413578219 /nfs/dbraw/zinc/57/82/19/413578219.db2.gz GHWNHJRUTOIUBB-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000252137532 287269121 /nfs/dbraw/zinc/26/91/21/287269121.db2.gz LSLNRORWFIPUCP-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657456144 413629663 /nfs/dbraw/zinc/62/96/63/413629663.db2.gz PCMXCGNUKSAJFN-KBPBESRZSA-N 2 0 270.380 2.793 20 0 CFADRP C[C@H]1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657458091 413632580 /nfs/dbraw/zinc/63/25/80/413632580.db2.gz XHBLAXGJMQZNQG-UONOGXRCSA-N 2 0 270.380 2.793 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000651787601 413639301 /nfs/dbraw/zinc/63/93/01/413639301.db2.gz YMYLINZVSBXUPN-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP Cn1ncc(C2CC2)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657475048 413656948 /nfs/dbraw/zinc/65/69/48/413656948.db2.gz YQPNYRJXBLIHBD-UHFFFAOYSA-N 2 0 290.455 2.653 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000651823146 413667314 /nfs/dbraw/zinc/66/73/14/413667314.db2.gz YDXAJCSDXHGIBP-NUDNTCICSA-N 2 0 268.445 2.652 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]CCC[NH+]1CCCC1 ZINC000651749936 413615718 /nfs/dbraw/zinc/61/57/18/413615718.db2.gz PCLPOLOQHYZDNY-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536216 413720098 /nfs/dbraw/zinc/72/00/98/413720098.db2.gz YEAQVCWFYSYYKD-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000657706916 413878318 /nfs/dbraw/zinc/87/83/18/413878318.db2.gz FPGXFKSEDZNENV-DLBZAZTESA-N 2 0 292.467 2.677 20 0 CFADRP c1coc(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657782073 413922549 /nfs/dbraw/zinc/92/25/49/413922549.db2.gz IMQWWAQIAAUJAT-UHFFFAOYSA-N 2 0 282.347 2.583 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657789828 413933928 /nfs/dbraw/zinc/93/39/28/413933928.db2.gz LIPOWYYRNMDNOF-CVEARBPZSA-N 2 0 266.429 2.551 20 0 CFADRP COCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCC1 ZINC000652337370 413895827 /nfs/dbraw/zinc/89/58/27/413895827.db2.gz HDIWKHHDPDWUEM-UHFFFAOYSA-N 2 0 288.435 2.723 20 0 CFADRP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000657741901 413897093 /nfs/dbraw/zinc/89/70/93/413897093.db2.gz JWZRKOGRPDVJDB-QGZVFWFLSA-N 2 0 293.499 2.857 20 0 CFADRP CCc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)ncn1 ZINC000664680085 413898396 /nfs/dbraw/zinc/89/83/96/413898396.db2.gz NGJBZBIJKFCKLO-CQSZACIVSA-N 2 0 274.412 2.573 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352222 413900656 /nfs/dbraw/zinc/90/06/56/413900656.db2.gz VBJBGDIXAAGJPG-WMZOPIPTSA-N 2 0 288.435 2.689 20 0 CFADRP CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361051 413904612 /nfs/dbraw/zinc/90/46/12/413904612.db2.gz XBDMIQJMESTJOQ-KFWWJZLASA-N 2 0 254.418 2.537 20 0 CFADRP Fc1ccccc1C[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000652358508 413907122 /nfs/dbraw/zinc/90/71/22/413907122.db2.gz NXDIRZQLLCRCTA-GOEBONIOSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C)[C@@H]1CC[NH3+] ZINC000652355949 413908040 /nfs/dbraw/zinc/90/80/40/413908040.db2.gz NWWCHNMLBUSAGS-GDBMZVCRSA-N 2 0 275.440 2.702 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCC2CCCC2)C1 ZINC000652362625 413911722 /nfs/dbraw/zinc/91/17/22/413911722.db2.gz LSFPQBZYHXWPDZ-BRWVUGGUSA-N 2 0 280.456 2.928 20 0 CFADRP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657812493 413960096 /nfs/dbraw/zinc/96/00/96/413960096.db2.gz PVAQAKDYDVUPDG-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP C([NH2+][C@@H]1CCCSC1)C1CC[NH+](CC2CC2)CC1 ZINC000657812852 413960552 /nfs/dbraw/zinc/96/05/52/413960552.db2.gz HWHOJCITGXQAIS-OAHLLOKOSA-N 2 0 268.470 2.594 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657832146 413984344 /nfs/dbraw/zinc/98/43/44/413984344.db2.gz IRIDOKFGCLHEDH-UHFFFAOYSA-N 2 0 274.399 2.784 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCn2nccc21 ZINC000657837809 413991801 /nfs/dbraw/zinc/99/18/01/413991801.db2.gz JMKUBIFNJPVIGQ-HOTGVXAUSA-N 2 0 290.455 2.962 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657839469 413992187 /nfs/dbraw/zinc/99/21/87/413992187.db2.gz WJYUQWUVPFSJCR-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CCOC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000657840086 413993044 /nfs/dbraw/zinc/99/30/44/413993044.db2.gz LUPDTXMTYUIJER-FYRZTWFESA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657841770 413996953 /nfs/dbraw/zinc/99/69/53/413996953.db2.gz RMQQJLTYJBIPHM-XGUBFFRZSA-N 2 0 250.430 2.743 20 0 CFADRP C[NH2+]Cc1ccccc1CNC(=O)Nc1ccc(C)nc1C ZINC000652583156 414021873 /nfs/dbraw/zinc/02/18/73/414021873.db2.gz QHOZXBLUBFRMNA-UHFFFAOYSA-N 2 0 298.390 2.740 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)C(C)(C)C ZINC000657886173 414029072 /nfs/dbraw/zinc/02/90/72/414029072.db2.gz HSMWDJCJRJJFPH-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657902990 414043099 /nfs/dbraw/zinc/04/30/99/414043099.db2.gz QMDIOOYGGIMHSN-NWDGAFQWSA-N 2 0 280.403 2.613 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657931330 414059508 /nfs/dbraw/zinc/05/95/08/414059508.db2.gz LMZAXKMVTNPJFC-SHARSMKWSA-N 2 0 270.486 2.982 20 0 CFADRP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000037408241 173184378 /nfs/dbraw/zinc/18/43/78/173184378.db2.gz IBHUFOVUGYUESM-GFCCVEGCSA-N 2 0 266.335 2.539 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000037408415 173185391 /nfs/dbraw/zinc/18/53/91/173185391.db2.gz VCHCVOAXNWNJMT-WMLDXEAASA-N 2 0 270.420 2.618 20 0 CFADRP CSc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408252 173185398 /nfs/dbraw/zinc/18/53/98/173185398.db2.gz AVSFUVULCYFMTL-AWEZNQCLSA-N 2 0 276.449 2.982 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000658045281 414128994 /nfs/dbraw/zinc/12/89/94/414128994.db2.gz DYOPXLPUYRVJMV-QKGCVVFFSA-N 2 0 250.430 2.741 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCCSCC1 ZINC000658044417 414131807 /nfs/dbraw/zinc/13/18/07/414131807.db2.gz ZZUYNMRBLBHUEC-CQSZACIVSA-N 2 0 258.475 2.840 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc32)[C@H]2CCC[C@H]21 ZINC000658064632 414149023 /nfs/dbraw/zinc/14/90/23/414149023.db2.gz FBRVXKLNHXLDHT-UKPHBRMFSA-N 2 0 299.418 2.833 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000658064630 414149701 /nfs/dbraw/zinc/14/97/01/414149701.db2.gz FBRVXKLNHXLDHT-KMFMINBZSA-N 2 0 299.418 2.833 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)c2ccccn2)CC1 ZINC000658063845 414151634 /nfs/dbraw/zinc/15/16/34/414151634.db2.gz WXSVGJHSPLGZSR-CQSZACIVSA-N 2 0 261.413 2.648 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCC1 ZINC000658069662 414153781 /nfs/dbraw/zinc/15/37/81/414153781.db2.gz QAFGEHRKJFIDAE-CQSZACIVSA-N 2 0 280.456 2.656 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000665263932 414220338 /nfs/dbraw/zinc/22/03/38/414220338.db2.gz YHTQDPQYRICBPW-TZMCWYRMSA-N 2 0 268.426 2.502 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263733 414220505 /nfs/dbraw/zinc/22/05/05/414220505.db2.gz SWLBVPQKTLGHKG-XSLAGTTESA-N 2 0 288.435 2.666 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(C)CC1(F)F ZINC000665265727 414220757 /nfs/dbraw/zinc/22/07/57/414220757.db2.gz ZVKIFEAYUCWOLX-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c2ccccc21 ZINC000665264622 414221414 /nfs/dbraw/zinc/22/14/14/414221414.db2.gz DVGUFEFJXSBHGZ-SJORKVTESA-N 2 0 285.435 2.970 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)co1 ZINC000665263873 414222401 /nfs/dbraw/zinc/22/24/01/414222401.db2.gz WWWVQLVGKMJNND-OWCLPIDISA-N 2 0 262.397 2.723 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000665265570 414222806 /nfs/dbraw/zinc/22/28/06/414222806.db2.gz YMZWEWAQVIFROZ-RHSMWYFYSA-N 2 0 285.435 2.828 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1(F)F ZINC000665266954 414225341 /nfs/dbraw/zinc/22/53/41/414225341.db2.gz MIXBJQMZWMIZLB-YVECIDJPSA-N 2 0 258.356 2.542 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000665267513 414225533 /nfs/dbraw/zinc/22/55/33/414225533.db2.gz YGEPJMJMVIKKBN-QMTHXVAHSA-N 2 0 283.366 2.935 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658140317 414231655 /nfs/dbraw/zinc/23/16/55/414231655.db2.gz PWBLXJLDSBRLGU-KBXCAEBGSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665272858 414232274 /nfs/dbraw/zinc/23/22/74/414232274.db2.gz MLZVNBIEQCHNMM-QGTPRVQTSA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC(F)CC1 ZINC000665273922 414232618 /nfs/dbraw/zinc/23/26/18/414232618.db2.gz GRWJTOGEVGZPIV-CJTRTSLKSA-N 2 0 268.420 2.881 20 0 CFADRP C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(Cl)c(F)c1 ZINC000665277524 414238164 /nfs/dbraw/zinc/23/81/64/414238164.db2.gz DHIHRZACGHVKED-NAUIOFCNSA-N 2 0 268.763 2.882 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658090488 414182938 /nfs/dbraw/zinc/18/29/38/414182938.db2.gz KNWOAXVJJLZRDU-XJKSGUPXSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277787 414238602 /nfs/dbraw/zinc/23/86/02/414238602.db2.gz LSKHOOQRLGJONX-GXZXJKLZSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665235424 414192370 /nfs/dbraw/zinc/19/23/70/414192370.db2.gz VXGSDDXOLMGLFL-HEHGZKQESA-N 2 0 264.388 2.795 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665235428 414194124 /nfs/dbraw/zinc/19/41/24/414194124.db2.gz VXGSDDXOLMGLFL-WOSRLPQWSA-N 2 0 264.388 2.795 20 0 CFADRP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccn1 ZINC000665232358 414194714 /nfs/dbraw/zinc/19/47/14/414194714.db2.gz LKJOYNBYLOTLNC-RVKKMQEKSA-N 2 0 283.419 2.733 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2o1 ZINC000665237505 414196975 /nfs/dbraw/zinc/19/69/75/414196975.db2.gz CCAZWIVHTAIPAV-BZUAXINKSA-N 2 0 270.376 2.911 20 0 CFADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)C1 ZINC000665238863 414197195 /nfs/dbraw/zinc/19/71/95/414197195.db2.gz GHAXVIYDDKUREN-CMURFVSUSA-N 2 0 294.483 2.805 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1F)C(C)C ZINC000665241249 414201471 /nfs/dbraw/zinc/20/14/71/414201471.db2.gz GFAVBXGTJLTQQH-CZUORRHYSA-N 2 0 282.403 2.866 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCC2)C12CCCCC2 ZINC000665247391 414206219 /nfs/dbraw/zinc/20/62/19/414206219.db2.gz ANYRZARCWWDVEJ-CABCVRRESA-N 2 0 280.456 2.975 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665245266 414206887 /nfs/dbraw/zinc/20/68/87/414206887.db2.gz CXSPHJXBDDBAIA-KZNAEPCWSA-N 2 0 288.435 2.550 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccs1 ZINC000658110630 414211525 /nfs/dbraw/zinc/21/15/25/414211525.db2.gz ZOJHNFXSHORFDL-KBPBESRZSA-N 2 0 283.485 2.671 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)COc1c(F)cccc1F ZINC000665262134 414217337 /nfs/dbraw/zinc/21/73/37/414217337.db2.gz UWNPABMIAOZRLG-VXGBXAGGSA-N 2 0 286.366 2.839 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2c1 ZINC000665261913 414218529 /nfs/dbraw/zinc/21/85/29/414218529.db2.gz OEAJWGOVLPEZOE-VBNZEHGJSA-N 2 0 288.391 2.583 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665261591 414218743 /nfs/dbraw/zinc/21/87/43/414218743.db2.gz HHXSPGCHZKBNEF-IJLUTSLNSA-N 2 0 284.350 2.592 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000665280809 414242709 /nfs/dbraw/zinc/24/27/09/414242709.db2.gz MHAJBUKCHSZZJI-BPQIPLTHSA-N 2 0 289.467 2.612 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665280563 414243152 /nfs/dbraw/zinc/24/31/52/414243152.db2.gz GKFIVMUAFFOQMO-QLFBSQMISA-N 2 0 270.461 2.933 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000665280893 414243607 /nfs/dbraw/zinc/24/36/07/414243607.db2.gz OCEXFBQPBRZORC-HUUCEWRRSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279398 414245009 /nfs/dbraw/zinc/24/50/09/414245009.db2.gz BOMHIENHEYEROE-FZWSLVFFSA-N 2 0 280.362 2.628 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279823 414245163 /nfs/dbraw/zinc/24/51/63/414245163.db2.gz NAJWAKMACGCFRI-NDUQDZPOSA-N 2 0 285.435 2.758 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cnn1C(C)C ZINC000665281504 414245510 /nfs/dbraw/zinc/24/55/10/414245510.db2.gz FJUUWAVFBGNHFB-SWLSCSKDSA-N 2 0 266.433 2.796 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1cccc(Cl)c1 ZINC000665282426 414248197 /nfs/dbraw/zinc/24/81/97/414248197.db2.gz YAIJZTDSHFSELP-CABCVRRESA-N 2 0 284.831 2.991 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661835907 414251551 /nfs/dbraw/zinc/25/15/51/414251551.db2.gz AXWCJCRIOUNAIP-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000658170951 414263304 /nfs/dbraw/zinc/26/33/04/414263304.db2.gz WENIFSIYEJGSDB-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000665290389 414263670 /nfs/dbraw/zinc/26/36/70/414263670.db2.gz WPYJBVHDHHUGQV-SFHVURJKSA-N 2 0 293.499 2.525 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000665294006 414264060 /nfs/dbraw/zinc/26/40/60/414264060.db2.gz GRFLKSOGWWJPFF-HIFRSBDPSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000665294292 414266106 /nfs/dbraw/zinc/26/61/06/414266106.db2.gz LVQJPPSRMSXECN-ZDUSSCGKSA-N 2 0 294.443 2.581 20 0 CFADRP C[C@H]([NH2+]CCCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000658183856 414270170 /nfs/dbraw/zinc/27/01/70/414270170.db2.gz FSYPQVJKSCWGEL-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000665300021 414272501 /nfs/dbraw/zinc/27/25/01/414272501.db2.gz WXAHYSUPJSDMHZ-BZUAXINKSA-N 2 0 296.418 2.719 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])CC(F)(F)F ZINC000665301302 414274617 /nfs/dbraw/zinc/27/46/17/414274617.db2.gz UGZXKOIFEWGCIQ-UWVGGRQHSA-N 2 0 252.324 2.682 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)CC(F)(F)F ZINC000665301141 414275498 /nfs/dbraw/zinc/27/54/98/414275498.db2.gz PCRMUWLSFVHHEK-UWVGGRQHSA-N 2 0 252.324 2.825 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655683467 414359510 /nfs/dbraw/zinc/35/95/10/414359510.db2.gz SBTYKZFBGXDDOM-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C1CCCC1 ZINC000658316445 414369824 /nfs/dbraw/zinc/36/98/24/414369824.db2.gz QFNSZHHQVUQTBD-WCXIOVBPSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000658329918 414378721 /nfs/dbraw/zinc/37/87/21/414378721.db2.gz GMESGCCDVDKGDU-ZDUSSCGKSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000655839625 414472378 /nfs/dbraw/zinc/47/23/78/414472378.db2.gz VOFBLAJZONOHBV-UVPYHEFZSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CS1 ZINC000655777440 414427302 /nfs/dbraw/zinc/42/73/02/414427302.db2.gz UYIVNQRMQSJYOS-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP CC1(C)CCCC[C@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662149714 414430499 /nfs/dbraw/zinc/43/04/99/414430499.db2.gz QACAHIXVCPTHQM-DOTOQJQBSA-N 2 0 294.483 2.734 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805077 414448711 /nfs/dbraw/zinc/44/87/11/414448711.db2.gz BGWUNSLITRKANB-DVOMOZLQSA-N 2 0 274.408 2.612 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655804751 414449361 /nfs/dbraw/zinc/44/93/61/414449361.db2.gz AGVWQKFHSIVYQP-XUWVNRHRSA-N 2 0 282.472 2.756 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H](OC)C2CCCCC2)CC1 ZINC000662247291 414473355 /nfs/dbraw/zinc/47/33/55/414473355.db2.gz YXHGITZFZRLIEK-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805607 414450994 /nfs/dbraw/zinc/45/09/94/414450994.db2.gz JJGSTMHTZHOFLI-SOUVJXGZSA-N 2 0 276.424 2.994 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000655806686 414451224 /nfs/dbraw/zinc/45/12/24/414451224.db2.gz ZLGFIYLKBMLGCK-HFAKWTLXSA-N 2 0 268.351 2.956 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000655805676 414451511 /nfs/dbraw/zinc/45/15/11/414451511.db2.gz REGNRIKMUJXLNT-IJEWVQPXSA-N 2 0 274.408 2.830 20 0 CFADRP CC[C@H](CC(F)F)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000662246638 414473613 /nfs/dbraw/zinc/47/36/13/414473613.db2.gz AACFVDNCGJHOOA-VXGBXAGGSA-N 2 0 250.377 2.973 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)C1CCCCC1 ZINC000662244712 414473740 /nfs/dbraw/zinc/47/37/40/414473740.db2.gz GFROWWWUACDVKH-CZUORRHYSA-N 2 0 268.445 2.641 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000655824932 414462634 /nfs/dbraw/zinc/46/26/34/414462634.db2.gz QYUGJCBHYKAVFQ-TXEJJXNPSA-N 2 0 291.420 2.833 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000655825087 414462763 /nfs/dbraw/zinc/46/27/63/414462763.db2.gz WIMOLRHHOAAZOK-OKILXGFUSA-N 2 0 280.387 2.654 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC000662236763 414469451 /nfs/dbraw/zinc/46/94/51/414469451.db2.gz HFBXBEZSHMNAGA-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000655838366 414471139 /nfs/dbraw/zinc/47/11/39/414471139.db2.gz AYSQGVSTBNKOQA-QEJZJMRPSA-N 2 0 268.445 2.652 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000658352559 414397151 /nfs/dbraw/zinc/39/71/51/414397151.db2.gz IHPZGAGALAIVKJ-DOMZBBRYSA-N 2 0 262.397 2.576 20 0 CFADRP C([NH2+][C@H]1CCCSCC1)C1CC[NH+](CC2CC2)CC1 ZINC000658351815 414397260 /nfs/dbraw/zinc/39/72/60/414397260.db2.gz APIKLDWFXYPPHU-INIZCTEOSA-N 2 0 282.497 2.984 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352555 414397354 /nfs/dbraw/zinc/39/73/54/414397354.db2.gz GWVOHZYRCWXFIA-CYBMUJFWSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCOC1 ZINC000658357629 414401053 /nfs/dbraw/zinc/40/10/53/414401053.db2.gz UUNPUYJBBYPKBI-PBHICJAKSA-N 2 0 280.456 2.513 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1Cl ZINC000662247553 414474490 /nfs/dbraw/zinc/47/44/90/414474490.db2.gz XNSNSTDAHXCDOE-LLVKDONJSA-N 2 0 282.815 2.908 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1(C)C ZINC000655849160 414476211 /nfs/dbraw/zinc/47/62/11/414476211.db2.gz PSHOBRDQMDHDGZ-FXUDXRNXSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662250980 414476842 /nfs/dbraw/zinc/47/68/42/414476842.db2.gz USDKAIFHJUCHME-GDBMZVCRSA-N 2 0 274.408 2.509 20 0 CFADRP CO[C@@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C1CCCCC1 ZINC000662250102 414477309 /nfs/dbraw/zinc/47/73/09/414477309.db2.gz YAYCMSPGZRYLQQ-LSDHHAIUSA-N 2 0 256.434 2.545 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000655848760 414477491 /nfs/dbraw/zinc/47/74/91/414477491.db2.gz KDDGWEUNQQIOFA-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CCCCO2)CC1 ZINC000655850813 414478454 /nfs/dbraw/zinc/47/84/54/414478454.db2.gz YZPXZQBSFGBMAY-CVEARBPZSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)CC1CCCCC1 ZINC000662253611 414478672 /nfs/dbraw/zinc/47/86/72/414478672.db2.gz VBEILLDJIVKDEQ-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C([C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662254189 414479275 /nfs/dbraw/zinc/47/92/75/414479275.db2.gz NLGFDOBJOIRGTB-IRXDYDNUSA-N 2 0 292.467 2.942 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000655850166 414479342 /nfs/dbraw/zinc/47/93/42/414479342.db2.gz TUQXHYYIUSDHRC-VNQPRFMTSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[N@H+](C[C@H](OC)C1CCCC1)C1CC[NH2+]CC1 ZINC000662264980 414482008 /nfs/dbraw/zinc/48/20/08/414482008.db2.gz SVVWGQZCLZWIAP-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662257997 414482077 /nfs/dbraw/zinc/48/20/77/414482077.db2.gz HIICQXCUTBFZDJ-IRXDYDNUSA-N 2 0 286.419 2.638 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000662265644 414484115 /nfs/dbraw/zinc/48/41/15/414484115.db2.gz HQBWUWGTLSGAEO-YUTCNCBUSA-N 2 0 294.826 2.908 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662267897 414485172 /nfs/dbraw/zinc/48/51/72/414485172.db2.gz ZUPFJEICUBEOPB-WMZOPIPTSA-N 2 0 270.420 2.792 20 0 CFADRP CC1([NH3+])CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000662271588 414487769 /nfs/dbraw/zinc/48/77/69/414487769.db2.gz XMAPRBWLHIDBLM-UHFFFAOYSA-N 2 0 268.401 2.731 20 0 CFADRP C(CC1CCC1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662274276 414490145 /nfs/dbraw/zinc/49/01/45/414490145.db2.gz TXIBVDPMGJQWPB-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP COc1cccc(SCC[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000662275986 414490589 /nfs/dbraw/zinc/49/05/89/414490589.db2.gz GMCIRNYOSUGRRL-OAHLLOKOSA-N 2 0 294.464 2.765 20 0 CFADRP c1c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)onc1C1CC1 ZINC000662275080 414491015 /nfs/dbraw/zinc/49/10/15/414491015.db2.gz RIOQQXZSZAACLM-HNNXBMFYSA-N 2 0 275.396 2.516 20 0 CFADRP CO[C@@H](CN(CC[NH3+])CCc1ccccc1)C1CCCC1 ZINC000662274319 414491050 /nfs/dbraw/zinc/49/10/50/414491050.db2.gz UYNBPELOQVFGCR-SFHVURJKSA-N 2 0 290.451 2.695 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cncc(F)c1 ZINC000662279587 414492233 /nfs/dbraw/zinc/49/22/33/414492233.db2.gz AGDKFDSJWMWQHS-GFCCVEGCSA-N 2 0 285.366 2.717 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000662276480 414492770 /nfs/dbraw/zinc/49/27/70/414492770.db2.gz NJJSFAJLTZWKBJ-BRWVUGGUSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CCCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662278875 414493737 /nfs/dbraw/zinc/49/37/37/414493737.db2.gz BRJAHABBNRZGHK-AWEZNQCLSA-N 2 0 258.409 2.954 20 0 CFADRP CO[C@@H](C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000662283970 414494241 /nfs/dbraw/zinc/49/42/41/414494241.db2.gz SGRAOZBHYLMEDJ-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2cccc(C(C)C)c2)C[C@H]1C[NH3+] ZINC000662284005 414494503 /nfs/dbraw/zinc/49/45/03/414494503.db2.gz DZMDXZPIZKANCF-IAGOWNOFSA-N 2 0 276.424 2.606 20 0 CFADRP COc1ccc(C(C)C)cc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000655938357 414495189 /nfs/dbraw/zinc/49/51/89/414495189.db2.gz SZUVKDROKIGIQA-BBRMVZONSA-N 2 0 276.424 2.988 20 0 CFADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000662298956 414498675 /nfs/dbraw/zinc/49/86/75/414498675.db2.gz HRWVMPIKOPCSOX-OAHLLOKOSA-N 2 0 272.436 2.822 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295263 414498927 /nfs/dbraw/zinc/49/89/27/414498927.db2.gz UTIUKDNLPOZBOF-RHSMWYFYSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000662299586 414499580 /nfs/dbraw/zinc/49/95/80/414499580.db2.gz RZSNATBSDRIONM-HNNXBMFYSA-N 2 0 258.409 2.743 20 0 CFADRP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000662296136 414499842 /nfs/dbraw/zinc/49/98/42/414499842.db2.gz XYQCVFOMQOXUFM-HIFRSBDPSA-N 2 0 277.412 2.756 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000662307811 414502197 /nfs/dbraw/zinc/50/21/97/414502197.db2.gz ZNHKMJYLFZFQPF-GDBMZVCRSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320274 414504820 /nfs/dbraw/zinc/50/48/20/414504820.db2.gz SOYGFGSNIGXPDG-NVXWUHKLSA-N 2 0 276.424 2.790 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCc2ccccc2)CCO1 ZINC000662319238 414506253 /nfs/dbraw/zinc/50/62/53/414506253.db2.gz LDEDJRNOSJJWMU-SFHVURJKSA-N 2 0 290.451 2.662 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662322870 414507291 /nfs/dbraw/zinc/50/72/91/414507291.db2.gz NLEYXOHPTSPEJN-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC23CCC(CC2)C3)CCO1 ZINC000662324568 414507517 /nfs/dbraw/zinc/50/75/17/414507517.db2.gz YAKGYOBFVNYOBG-AQFXKWCLSA-N 2 0 280.456 2.609 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000656192966 414529723 /nfs/dbraw/zinc/52/97/23/414529723.db2.gz AFTWZPRPRFVOAD-UONOGXRCSA-N 2 0 252.789 2.742 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000656193270 414529883 /nfs/dbraw/zinc/52/98/83/414529883.db2.gz CSBNQZVIUPGCGC-OAGGEKHMSA-N 2 0 275.440 2.913 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193182 414530742 /nfs/dbraw/zinc/53/07/42/414530742.db2.gz XYAHFQMLVMYNEU-OLZOCXBDSA-N 2 0 268.788 2.708 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000656193341 414530979 /nfs/dbraw/zinc/53/09/79/414530979.db2.gz HHFCLHRFCUXCOK-RDBSUJKOSA-N 2 0 256.434 2.558 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197430 414531569 /nfs/dbraw/zinc/53/15/69/414531569.db2.gz IUISWITZKFYQRE-HUUCEWRRSA-N 2 0 262.397 2.623 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Nc1ccccc1 ZINC000656198081 414531965 /nfs/dbraw/zinc/53/19/65/414531965.db2.gz DKLFNGJVUQRHIA-OIISXLGYSA-N 2 0 275.440 2.983 20 0 CFADRP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000656196054 414532491 /nfs/dbraw/zinc/53/24/91/414532491.db2.gz WZTCJMADWZGMNO-UONOGXRCSA-N 2 0 287.407 2.579 20 0 CFADRP COc1ccccc1C1([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656200629 414534031 /nfs/dbraw/zinc/53/40/31/414534031.db2.gz SGIMBIREIQZKNJ-OLZOCXBDSA-N 2 0 260.381 2.544 20 0 CFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000656202059 414534908 /nfs/dbraw/zinc/53/49/08/414534908.db2.gz WYEDLKQEKQCGQX-CFVMTHIKSA-N 2 0 290.407 2.626 20 0 CFADRP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000656211731 414538105 /nfs/dbraw/zinc/53/81/05/414538105.db2.gz JWHUZASFEMIGFO-OKILXGFUSA-N 2 0 269.392 2.717 20 0 CFADRP CC(C)[NH+]1CCC(N(C)CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659867976 414598622 /nfs/dbraw/zinc/59/86/22/414598622.db2.gz LOOIWOQFYDGESP-IRXDYDNUSA-N 2 0 295.515 2.769 20 0 CFADRP CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000659880388 414603940 /nfs/dbraw/zinc/60/39/40/414603940.db2.gz AUTSYZQRQXEROG-LZWOXQAQSA-N 2 0 270.461 2.587 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000659949211 414627999 /nfs/dbraw/zinc/62/79/99/414627999.db2.gz VDOUTVDRZAZSDH-FUHWJXTLSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1cc(N(C)CC(C)(C)[NH3+])c2cc(F)ccc2[nH+]1 ZINC000656608421 414615799 /nfs/dbraw/zinc/61/57/99/414615799.db2.gz FIEDGMFWAFUCCL-UHFFFAOYSA-N 2 0 261.344 2.856 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000659927248 414616494 /nfs/dbraw/zinc/61/64/94/414616494.db2.gz PKQTXDZPTMNMKJ-IRXDYDNUSA-N 2 0 280.456 2.510 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000659927913 414619224 /nfs/dbraw/zinc/61/92/24/414619224.db2.gz RWQRNSZKNUCNGV-DOTOQJQBSA-N 2 0 272.436 2.990 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000656268325 414554171 /nfs/dbraw/zinc/55/41/71/414554171.db2.gz BRDGDAQAVXCEIU-MQIPJXDCSA-N 2 0 282.378 2.998 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000038040937 174041514 /nfs/dbraw/zinc/04/15/14/174041514.db2.gz SCUQHSNLPQDETJ-LLVKDONJSA-N 2 0 252.789 2.613 20 0 CFADRP CCC[NH+]1CCC(N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659983514 414640592 /nfs/dbraw/zinc/64/05/92/414640592.db2.gz OLDVTLHGFUYIPI-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000659989294 414643401 /nfs/dbraw/zinc/64/34/01/414643401.db2.gz HVOVMKIYANCAIB-CHWSQXEVSA-N 2 0 262.388 2.941 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659989426 414644273 /nfs/dbraw/zinc/64/42/73/414644273.db2.gz KXTXGAVJVDOSCR-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000660012194 414650763 /nfs/dbraw/zinc/65/07/63/414650763.db2.gz RPIWKOLFTXLOGP-XWTMOSNGSA-N 2 0 270.420 2.959 20 0 CFADRP Cc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nc(C)n1 ZINC000660159369 414672306 /nfs/dbraw/zinc/67/23/06/414672306.db2.gz TZHOEGNLINNXQH-UHFFFAOYSA-N 2 0 290.455 2.647 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCC1CCC1 ZINC000660118271 414664414 /nfs/dbraw/zinc/66/44/14/414664414.db2.gz SZDYKRXBCQAFNG-IXDOHACOSA-N 2 0 280.456 2.750 20 0 CFADRP C1=CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660115573 414665272 /nfs/dbraw/zinc/66/52/72/414665272.db2.gz QQHXWAIMPPRZKR-DOTOQJQBSA-N 2 0 260.425 2.901 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000663344800 414676621 /nfs/dbraw/zinc/67/66/21/414676621.db2.gz XPFRBHCQWSANNB-HDEZJCGLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663345375 414677616 /nfs/dbraw/zinc/67/76/16/414677616.db2.gz JEPIUDOAPIRSAF-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000044515419 175189932 /nfs/dbraw/zinc/18/99/32/175189932.db2.gz ZCPIPHXUGGRSTL-IUODEOHRSA-N 2 0 262.397 2.834 20 0 CFADRP CSc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516094 175189966 /nfs/dbraw/zinc/18/99/66/175189966.db2.gz IRTNHTYDCDHGSH-UHFFFAOYSA-N 2 0 264.438 2.840 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000044515645 175189971 /nfs/dbraw/zinc/18/99/71/175189971.db2.gz BJDFGKIHVYGKQF-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000044517190 175190413 /nfs/dbraw/zinc/19/04/13/175190413.db2.gz SFMVIRHKCMWLHY-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516969 175190443 /nfs/dbraw/zinc/19/04/43/175190443.db2.gz LOLLNRHLNDKBAL-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)c(C)s1 ZINC000044517178 175190580 /nfs/dbraw/zinc/19/05/80/175190580.db2.gz SMJNVZCJOORBGA-UHFFFAOYSA-N 2 0 252.427 2.796 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000044517337 175190585 /nfs/dbraw/zinc/19/05/85/175190585.db2.gz MVKOVOSLHRPIMR-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000044518558 175190918 /nfs/dbraw/zinc/19/09/18/175190918.db2.gz DHSZDEQZABQOAG-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044535043 175198877 /nfs/dbraw/zinc/19/88/77/175198877.db2.gz RXKWHSQZBGKRCK-LSDHHAIUSA-N 2 0 276.424 2.996 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623159 287299735 /nfs/dbraw/zinc/29/97/35/287299735.db2.gz UECXVIFPRQOZIX-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2sccc2C)CC1 ZINC000070188741 175881039 /nfs/dbraw/zinc/88/10/39/175881039.db2.gz SQXCFNZNJOZUOG-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000423048969 299000689 /nfs/dbraw/zinc/00/06/89/299000689.db2.gz JMHIXQYXYIAOTJ-NUEKZKHPSA-N 2 0 266.429 2.609 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000305143926 287378548 /nfs/dbraw/zinc/37/85/48/287378548.db2.gz REITWMIWCFNMDQ-OAGGEKHMSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000423115873 288502335 /nfs/dbraw/zinc/50/23/35/288502335.db2.gz OKXHKUQELLVWHH-YIDVYQOGSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000193124179 228057543 /nfs/dbraw/zinc/05/75/43/228057543.db2.gz CKJAMTGQNJGFAV-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401014013 420504169 /nfs/dbraw/zinc/50/41/69/420504169.db2.gz IDPRDOPJGYCHBC-YNEHKIRRSA-N 2 0 250.411 2.534 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000400981274 420502108 /nfs/dbraw/zinc/50/21/08/420502108.db2.gz UORCJXPODXXKBN-RBSFLKMASA-N 2 0 250.430 2.790 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1OCC(C)C ZINC000414880744 533684355 /nfs/dbraw/zinc/68/43/55/533684355.db2.gz KCBNFASHINZNCS-ZDUSSCGKSA-N 2 0 280.412 2.557 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397310638 270317154 /nfs/dbraw/zinc/31/71/54/270317154.db2.gz OSDSMOMYSVDFGZ-XQQFMLRXSA-N 2 0 252.427 2.862 20 0 CFADRP CC(C)CCOC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000179404505 260046328 /nfs/dbraw/zinc/04/63/28/260046328.db2.gz QOEADZJCLWISEY-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)CC1CCOCC1 ZINC000312839348 260211159 /nfs/dbraw/zinc/21/11/59/260211159.db2.gz OTLQYJNYPPGBLT-CALCHBBNSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390437962 262192516 /nfs/dbraw/zinc/19/25/16/262192516.db2.gz TZQLMXVMKQZOIE-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000390836174 262350132 /nfs/dbraw/zinc/35/01/32/262350132.db2.gz QOHYDZHELDTIMU-DQIHPLBOSA-N 2 0 279.472 2.512 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000391082528 262380491 /nfs/dbraw/zinc/38/04/91/262380491.db2.gz LBUYPVYJTULSMN-MJBXVCDLSA-N 2 0 279.453 2.504 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000272342813 263003373 /nfs/dbraw/zinc/00/33/73/263003373.db2.gz NCLPVUUOFLPBAV-INIZCTEOSA-N 2 0 277.412 2.513 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000272342816 263003560 /nfs/dbraw/zinc/00/35/60/263003560.db2.gz NCLPVUUOFLPBAV-MRXNPFEDSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425943833 274480075 /nfs/dbraw/zinc/48/00/75/274480075.db2.gz KATPEEYGACVZLV-UONOGXRCSA-N 2 0 266.404 2.934 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC1(C)COC1 ZINC000348326342 265150308 /nfs/dbraw/zinc/15/03/08/265150308.db2.gz XWSKBUQSFYRYAU-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000514614143 266018126 /nfs/dbraw/zinc/01/81/26/266018126.db2.gz DMZZEFGYNWKRLH-GVDBMIGSSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[NH+]1CCCCCC1 ZINC000192466020 270231935 /nfs/dbraw/zinc/23/19/35/270231935.db2.gz JNKQRTNIJHRKSV-BBWFWOEESA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000192721892 270233482 /nfs/dbraw/zinc/23/34/82/270233482.db2.gz UFUAEWBGLUVHEG-UHFFFAOYSA-N 2 0 283.504 2.769 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000192750688 270233904 /nfs/dbraw/zinc/23/39/04/270233904.db2.gz PTZCXBYZVXVXRG-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192742549 270233923 /nfs/dbraw/zinc/23/39/23/270233923.db2.gz RASZXEQQLLUJHV-SFHVURJKSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)NCC1([NH3+])CCCCC1 ZINC000236989931 270264531 /nfs/dbraw/zinc/26/45/31/270264531.db2.gz QGWITRZQWCOZNO-UHFFFAOYSA-N 2 0 297.487 2.666 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237231823 270266071 /nfs/dbraw/zinc/26/60/71/270266071.db2.gz CYBLBBZDUAUNFX-JKSUJKDBSA-N 2 0 289.423 2.642 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000252186175 270273510 /nfs/dbraw/zinc/27/35/10/270273510.db2.gz UIADQDMAUZSSTF-LZWOXQAQSA-N 2 0 276.424 2.715 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000258937140 270274335 /nfs/dbraw/zinc/27/43/35/270274335.db2.gz JRZPKSMQEXSOKH-UHFFFAOYSA-N 2 0 260.425 2.868 20 0 CFADRP C[N@@H+](CCc1ccc(F)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000258934540 270274485 /nfs/dbraw/zinc/27/44/85/270274485.db2.gz HGGBKODRZYMOQJ-HNNXBMFYSA-N 2 0 264.388 2.690 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)CC(C)(C)C ZINC000393441996 270307345 /nfs/dbraw/zinc/30/73/45/270307345.db2.gz OFKIQGHDKWPUEH-QLFBSQMISA-N 2 0 270.461 2.684 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(C)(C)O ZINC000393674340 270308196 /nfs/dbraw/zinc/30/81/96/270308196.db2.gz SUEZTNKCWGIRJW-UONOGXRCSA-N 2 0 270.461 2.684 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000393590569 270308337 /nfs/dbraw/zinc/30/83/37/270308337.db2.gz IDPJQTZILOEKGU-QLFBSQMISA-N 2 0 282.472 2.684 20 0 CFADRP Oc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000394886980 270310206 /nfs/dbraw/zinc/31/02/06/270310206.db2.gz DJIPMJMPNCYZIC-UHFFFAOYSA-N 2 0 283.375 2.546 20 0 CFADRP CO[C@@H]1CCN(CCCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000395164118 270311680 /nfs/dbraw/zinc/31/16/80/270311680.db2.gz KGFWMPPLAORXEV-JKSUJKDBSA-N 2 0 268.445 2.785 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000397392413 270318302 /nfs/dbraw/zinc/31/83/02/270318302.db2.gz OGEKMAAHRYGIHE-RRFJBIMHSA-N 2 0 270.486 2.886 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000397471906 270318988 /nfs/dbraw/zinc/31/89/88/270318988.db2.gz XDTVGTBENBBFFF-VYDXJSESSA-N 2 0 298.434 2.678 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422930887 270332438 /nfs/dbraw/zinc/33/24/38/270332438.db2.gz WJODQKWCRICINU-YUELXQCFSA-N 2 0 282.815 2.967 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424377840 270333202 /nfs/dbraw/zinc/33/32/02/270333202.db2.gz RYKYUOXWJVIWEG-AHNOJICISA-N 2 0 262.372 2.731 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424376894 270333207 /nfs/dbraw/zinc/33/32/07/270333207.db2.gz QKALTDDKPVMOLO-KBXIAJHMSA-N 2 0 268.445 2.830 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000515053364 270361546 /nfs/dbraw/zinc/36/15/46/270361546.db2.gz UEKPDQWOSXNKAZ-BRWVUGGUSA-N 2 0 291.439 2.734 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515311601 270367348 /nfs/dbraw/zinc/36/73/48/270367348.db2.gz PMLDFKFLXPYDMW-RFQIPJPRSA-N 2 0 256.459 2.910 20 0 CFADRP C[C@H]1c2ccccc2C[N@H+]1CCCc1cncn1C ZINC000515308471 270367972 /nfs/dbraw/zinc/36/79/72/270367972.db2.gz MKLMCEAHYKVIJY-ZDUSSCGKSA-N 2 0 255.365 2.930 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000515517020 270372444 /nfs/dbraw/zinc/37/24/44/270372444.db2.gz YHKYCNBPOHAORW-UKRRQHHQSA-N 2 0 262.397 2.706 20 0 CFADRP CC[C@H]1CCC[C@@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000515919473 270376202 /nfs/dbraw/zinc/37/62/02/270376202.db2.gz LERLJTCUCYJAGB-ZWKOTPCHSA-N 2 0 295.515 2.772 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000516562134 270383794 /nfs/dbraw/zinc/38/37/94/270383794.db2.gz SCGHNTKFYMCTLX-KRWDZBQOSA-N 2 0 260.425 2.985 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000521088851 270424331 /nfs/dbraw/zinc/42/43/31/270424331.db2.gz IZOLBPIOFHOCGN-IKGGRYGDSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000530214733 270772235 /nfs/dbraw/zinc/77/22/35/270772235.db2.gz ZUJUAXDJEIXJRQ-JTQLQIEISA-N 2 0 287.329 2.660 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000423332911 273545091 /nfs/dbraw/zinc/54/50/91/273545091.db2.gz RLATUPUMKQIXGF-OAHLLOKOSA-N 2 0 264.388 2.864 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CC[NH2+]CC1 ZINC000335024464 273594478 /nfs/dbraw/zinc/59/44/78/273594478.db2.gz OSVWONMFCRWCTB-OAHLLOKOSA-N 2 0 274.408 2.749 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414984964 273721376 /nfs/dbraw/zinc/72/13/76/273721376.db2.gz HEERJTFSXYEWIT-OLZOCXBDSA-N 2 0 271.408 2.661 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414942798 273748557 /nfs/dbraw/zinc/74/85/57/273748557.db2.gz MYVAMOBEWZYDTO-UAGQMJEPSA-N 2 0 260.425 2.904 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000493937080 273868568 /nfs/dbraw/zinc/86/85/68/273868568.db2.gz NGYXSFJKUIFTCF-KRWDZBQOSA-N 2 0 288.435 2.702 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414217819 274086232 /nfs/dbraw/zinc/08/62/32/274086232.db2.gz CVPLOBYGSIEDTD-AHCXZYCDSA-N 2 0 286.419 2.515 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000414919106 274125114 /nfs/dbraw/zinc/12/51/14/274125114.db2.gz WAKGVRNVWJLZNX-WMZOPIPTSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423453562 274136602 /nfs/dbraw/zinc/13/66/02/274136602.db2.gz AQCZIKABVCHGGP-RVSPLBMKSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000423327576 274136629 /nfs/dbraw/zinc/13/66/29/274136629.db2.gz LLAPBQGRARFVFN-SJORKVTESA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000423280721 274138686 /nfs/dbraw/zinc/13/86/86/274138686.db2.gz ULUFYKUBBFFBKO-XOKHGSTOSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423404715 274138802 /nfs/dbraw/zinc/13/88/02/274138802.db2.gz XPPJWNLPBRUOGD-HEHGZKQESA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000336707010 274213985 /nfs/dbraw/zinc/21/39/85/274213985.db2.gz LQPHSHMWURYAOY-JOYOIKCWSA-N 2 0 254.374 2.547 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1ccccc1C(F)(F)F ZINC000422730698 274236513 /nfs/dbraw/zinc/23/65/13/274236513.db2.gz FHOUJVCMDNBJDD-GHMZBOCLSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000423020114 274245893 /nfs/dbraw/zinc/24/58/93/274245893.db2.gz YUXPTDGAVKZGII-PBHICJAKSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422751454 274259265 /nfs/dbraw/zinc/25/92/65/274259265.db2.gz FYWNJDWEZDNNMM-KBRIMQKVSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000361353922 274336133 /nfs/dbraw/zinc/33/61/33/274336133.db2.gz VLLLFZPGHBUGSS-FRFSOERESA-N 2 0 258.409 2.646 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H](CO)c2ccccc21 ZINC000372735005 274340284 /nfs/dbraw/zinc/34/02/84/274340284.db2.gz DLUHQJTVWVDYRS-QVXTZCDOSA-N 2 0 288.435 2.526 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423400825 274377934 /nfs/dbraw/zinc/37/79/34/274377934.db2.gz QKPAECUKKOXWED-KMUNFCNLSA-N 2 0 264.800 2.915 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000334316027 274385088 /nfs/dbraw/zinc/38/50/88/274385088.db2.gz RTIZMODGKVQFPV-MNOVXSKESA-N 2 0 262.328 2.741 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423082920 274668859 /nfs/dbraw/zinc/66/88/59/274668859.db2.gz FFROCWQVWUURJU-UKRRQHHQSA-N 2 0 271.408 2.704 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@@]2(C)CC[NH2+]C2)n1 ZINC000415092350 274691583 /nfs/dbraw/zinc/69/15/83/274691583.db2.gz STDHHEPKPUATRQ-SFHVURJKSA-N 2 0 298.434 2.578 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000401045122 287794037 /nfs/dbraw/zinc/79/40/37/287794037.db2.gz VJMZGVZELUOXIL-YUDUXTHKSA-N 2 0 250.430 2.789 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423473405 274944073 /nfs/dbraw/zinc/94/40/73/274944073.db2.gz YFUFHCPGXCYKDV-QDTTVRDOSA-N 2 0 274.383 2.919 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423484457 275061226 /nfs/dbraw/zinc/06/12/26/275061226.db2.gz REDMGHSKAVWFPX-RHSMWYFYSA-N 2 0 274.408 2.891 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423538327 275067547 /nfs/dbraw/zinc/06/75/47/275067547.db2.gz GCONDKSKLBWSHQ-LZLYRXPVSA-N 2 0 299.462 2.633 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000335180431 275069276 /nfs/dbraw/zinc/06/92/76/275069276.db2.gz QTGKXYCKRBHPDO-MRXNPFEDSA-N 2 0 258.409 2.666 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000367037921 275071151 /nfs/dbraw/zinc/07/11/51/275071151.db2.gz WBRJGQUPXMNTLB-RRFJBIMHSA-N 2 0 295.430 2.852 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H]1CCCCO1 ZINC000347456113 275393110 /nfs/dbraw/zinc/39/31/10/275393110.db2.gz CMHCTWHQWZQRSB-DLBZAZTESA-N 2 0 280.456 2.753 20 0 CFADRP C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373524443 275414258 /nfs/dbraw/zinc/41/42/58/275414258.db2.gz SIHLNEVUOVNAFA-GADNRMJZSA-N 2 0 290.451 2.551 20 0 CFADRP CC(C)(C)c1n[nH]cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446883261 275539578 /nfs/dbraw/zinc/53/95/78/275539578.db2.gz JKIXBWYAPGBQIH-UHFFFAOYSA-N 2 0 290.455 2.671 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423245759 275701122 /nfs/dbraw/zinc/70/11/22/275701122.db2.gz JIQXBKZPPHPOJA-RDJZCZTQSA-N 2 0 278.415 2.982 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000446887940 275714538 /nfs/dbraw/zinc/71/45/38/275714538.db2.gz ANUPZQVDGKECQP-GOEBONIOSA-N 2 0 282.497 2.981 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000359015849 275910000 /nfs/dbraw/zinc/91/00/00/275910000.db2.gz DSZXOARAWRMUQT-SJORKVTESA-N 2 0 294.483 2.804 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000358959239 275912081 /nfs/dbraw/zinc/91/20/81/275912081.db2.gz ZVSYRWRBQDRUPW-RCCFBDPRSA-N 2 0 294.483 2.661 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421371427 275941413 /nfs/dbraw/zinc/94/14/13/275941413.db2.gz XQSWPMTWTWDIKI-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422923275 276006864 /nfs/dbraw/zinc/00/68/64/276006864.db2.gz VTEYSCJHHLGKDQ-KFWWJZLASA-N 2 0 256.434 2.545 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000430592440 276020645 /nfs/dbraw/zinc/02/06/45/276020645.db2.gz HIAYUZHFONKMPP-XHSDSOJGSA-N 2 0 270.461 2.887 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422923276 276035731 /nfs/dbraw/zinc/03/57/31/276035731.db2.gz VTEYSCJHHLGKDQ-QLFBSQMISA-N 2 0 256.434 2.545 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](OC)c2ccccc2)C1 ZINC000284432226 276073221 /nfs/dbraw/zinc/07/32/21/276073221.db2.gz PKSCQOQCWQLRJD-DOTOQJQBSA-N 2 0 276.424 2.648 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451979632 276096356 /nfs/dbraw/zinc/09/63/56/276096356.db2.gz QFRIYEVBMAEILN-OAHLLOKOSA-N 2 0 270.486 2.937 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000360987555 276097668 /nfs/dbraw/zinc/09/76/68/276097668.db2.gz QVUJKVWEZIRGDW-YESZJQIVSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000434757605 276100108 /nfs/dbraw/zinc/10/01/08/276100108.db2.gz GYTKGUXQHBDTES-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000361756518 276100137 /nfs/dbraw/zinc/10/01/37/276100137.db2.gz NKBNKWRKTODMKK-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP CC1(C)CC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC(C)(C)C1 ZINC000415033177 276100461 /nfs/dbraw/zinc/10/04/61/276100461.db2.gz GQSSZOSTBGNLJR-AWEZNQCLSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401013504 276102767 /nfs/dbraw/zinc/10/27/67/276102767.db2.gz HVZMEMHUUBPKFJ-GZBFAFLISA-N 2 0 250.430 2.933 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000348367648 276105459 /nfs/dbraw/zinc/10/54/59/276105459.db2.gz FFCHKKXBVUPBOQ-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CC(OC)C1 ZINC000347412059 276105524 /nfs/dbraw/zinc/10/55/24/276105524.db2.gz MWJHBASHVDNSNH-SLTXQBBLSA-N 2 0 268.445 2.654 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000420366972 276138136 /nfs/dbraw/zinc/13/81/36/276138136.db2.gz RSBIPVXDGUXBPW-OAHLLOKOSA-N 2 0 268.445 2.704 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000335304652 276138167 /nfs/dbraw/zinc/13/81/67/276138167.db2.gz XFLAUPLDOXWNAA-RYUDHWBXSA-N 2 0 260.372 2.790 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000277186662 276150978 /nfs/dbraw/zinc/15/09/78/276150978.db2.gz UMFDCHPGGPLEKN-WMZOPIPTSA-N 2 0 288.435 2.838 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000361888544 276175950 /nfs/dbraw/zinc/17/59/50/276175950.db2.gz KUROVRHUEBSOHT-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP CC1CCC([NH+]2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000124049512 276190720 /nfs/dbraw/zinc/19/07/20/276190720.db2.gz JUFKDFAXRCTZFH-LXPRWKDFSA-N 2 0 293.499 2.667 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC000337175427 276200933 /nfs/dbraw/zinc/20/09/33/276200933.db2.gz ISTUSAHAZNVABC-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000423289055 276213680 /nfs/dbraw/zinc/21/36/80/276213680.db2.gz VXSIOKBNXSTKMQ-UONOGXRCSA-N 2 0 278.444 2.553 20 0 CFADRP CCN1CC[C@@H]([NH2+]CCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000420395876 276216823 /nfs/dbraw/zinc/21/68/23/276216823.db2.gz DSOXNVAJTANNFE-HUUCEWRRSA-N 2 0 299.821 2.553 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@H](C)C1 ZINC000421382338 276228711 /nfs/dbraw/zinc/22/87/11/276228711.db2.gz NAHHHNVFVTUNHH-ILXRZTDVSA-N 2 0 282.497 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@@H](C)C1 ZINC000414816435 276228751 /nfs/dbraw/zinc/22/87/51/276228751.db2.gz WXHXVZNQQPPVHE-RDJZCZTQSA-N 2 0 281.488 2.619 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424271543 276263612 /nfs/dbraw/zinc/26/36/12/276263612.db2.gz SDVIOQQAEVDUFR-FIDHJVLJSA-N 2 0 280.456 2.512 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000347205024 276264537 /nfs/dbraw/zinc/26/45/37/276264537.db2.gz LLWRPDIAGXZTQR-UHFFFAOYSA-N 2 0 275.440 2.574 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414876837 276266337 /nfs/dbraw/zinc/26/63/37/276266337.db2.gz WNHQQEZYNDROGC-MNOVXSKESA-N 2 0 252.324 2.697 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000423504323 276286804 /nfs/dbraw/zinc/28/68/04/276286804.db2.gz FVPUDOVQBZOLOZ-HOTGVXAUSA-N 2 0 268.445 2.704 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C[C@H]1C ZINC000414843420 276287582 /nfs/dbraw/zinc/28/75/82/276287582.db2.gz OAQRLXJASJBCKD-RBSFLKMASA-N 2 0 296.455 2.606 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CC2CCOCC2)C1 ZINC000349968560 276308039 /nfs/dbraw/zinc/30/80/39/276308039.db2.gz HQBFSPBJKRHHRZ-DOTOQJQBSA-N 2 0 282.472 2.713 20 0 CFADRP CCOC1(C)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000428726600 276308075 /nfs/dbraw/zinc/30/80/75/276308075.db2.gz VZKALWHWLJQMKI-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451354481 276324079 /nfs/dbraw/zinc/32/40/79/276324079.db2.gz RNTMSKCPPGHPBE-BBWFWOEESA-N 2 0 282.472 2.734 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000353927669 276331070 /nfs/dbraw/zinc/33/10/70/276331070.db2.gz BDLJYQUWKGEOGS-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCCC2)C12CCC2 ZINC000181517154 276344617 /nfs/dbraw/zinc/34/46/17/276344617.db2.gz KOQOZXQAYWTJMC-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000157614907 276357785 /nfs/dbraw/zinc/35/77/85/276357785.db2.gz TZONZRDDMABXQX-USXIJHARSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC23CCC(CC2)C3)[C@@H](C)C1 ZINC000358368273 276395864 /nfs/dbraw/zinc/39/58/64/276395864.db2.gz MEOAWMVTTRHWFI-JWMHWRSXSA-N 2 0 250.430 2.887 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359212772 276399843 /nfs/dbraw/zinc/39/98/43/276399843.db2.gz FXZWDPYUCHNVNZ-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000354330009 276464372 /nfs/dbraw/zinc/46/43/72/276464372.db2.gz NBODAXYDGPLACD-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414981804 276469609 /nfs/dbraw/zinc/46/96/09/276469609.db2.gz XLNSTMVZVDWINF-CABCVRRESA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000246887907 276585229 /nfs/dbraw/zinc/58/52/29/276585229.db2.gz TXJIJFZPLXDYGY-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422889266 276585876 /nfs/dbraw/zinc/58/58/76/276585876.db2.gz PEYHZCODVQBFRR-BPUTZDHNSA-N 2 0 274.408 2.673 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000422807971 276590998 /nfs/dbraw/zinc/59/09/98/276590998.db2.gz KQTMGPNMSAUASB-YESZJQIVSA-N 2 0 274.408 2.926 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000092380959 276783375 /nfs/dbraw/zinc/78/33/75/276783375.db2.gz CSMDSSYCKYAVMA-IXDOHACOSA-N 2 0 262.441 2.862 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000130024705 276784386 /nfs/dbraw/zinc/78/43/86/276784386.db2.gz FEIONDQDEVSMCU-HNNXBMFYSA-N 2 0 250.361 2.744 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414813489 276811144 /nfs/dbraw/zinc/81/11/44/276811144.db2.gz QXCXVYYYYJUMKT-KSZLIROESA-N 2 0 293.499 2.809 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000423209052 277022815 /nfs/dbraw/zinc/02/28/15/277022815.db2.gz ZNMWITIIEQROBT-AWEZNQCLSA-N 2 0 280.437 2.821 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000285259052 277023256 /nfs/dbraw/zinc/02/32/56/277023256.db2.gz QHHOHBRTAGOKNU-QGZVFWFLSA-N 2 0 272.392 2.621 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3c(n2)CCC3)CC1 ZINC000334558280 277038252 /nfs/dbraw/zinc/03/82/52/277038252.db2.gz YQNVRRGLVQGSAV-UHFFFAOYSA-N 2 0 285.435 2.631 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000378643279 277043864 /nfs/dbraw/zinc/04/38/64/277043864.db2.gz AJCKYASCFUVYSD-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424380379 277056223 /nfs/dbraw/zinc/05/62/23/277056223.db2.gz XBXUEHVZBDVDJW-CAOSSQGBSA-N 2 0 296.455 2.748 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423331487 277082518 /nfs/dbraw/zinc/08/25/18/277082518.db2.gz OMUFBROBBNQUGD-CYBMUJFWSA-N 2 0 289.423 2.685 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337556788 277152263 /nfs/dbraw/zinc/15/22/63/277152263.db2.gz RVNUFEKJECFYSY-QWHCGFSZSA-N 2 0 290.398 2.999 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H]2CCC[C@@H]21 ZINC000348211688 277171523 /nfs/dbraw/zinc/17/15/23/277171523.db2.gz FQWQPYWGBPFTAR-AJNGGQMLSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@@H]2CCC[C@@H]21 ZINC000414305845 277172688 /nfs/dbraw/zinc/17/26/88/277172688.db2.gz GBNIHDIMJKJVJZ-ZQNQSHIBSA-N 2 0 254.393 2.730 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]2[C@H]1c1ccccc1 ZINC000370689821 277197894 /nfs/dbraw/zinc/19/78/94/277197894.db2.gz KXCQULWFNITARV-YDZRNGNQSA-N 2 0 298.430 2.914 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423090048 277210065 /nfs/dbraw/zinc/21/00/65/277210065.db2.gz WPSBGDKDFJHBCP-CGTJXYLNSA-N 2 0 290.451 2.754 20 0 CFADRP COCC[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000176224951 277235117 /nfs/dbraw/zinc/23/51/17/277235117.db2.gz UKZQGFGNBNHXBP-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000420339875 277265068 /nfs/dbraw/zinc/26/50/68/277265068.db2.gz ZEXMQEKTYOWHAC-KBPBESRZSA-N 2 0 291.439 2.794 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423205493 277268752 /nfs/dbraw/zinc/26/87/52/277268752.db2.gz VYCIJFGYDZLOGD-CYBMUJFWSA-N 2 0 283.213 2.636 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000430611512 277275596 /nfs/dbraw/zinc/27/55/96/277275596.db2.gz OFPVNYATAGUCIB-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423278806 277282741 /nfs/dbraw/zinc/28/27/41/277282741.db2.gz ROUJJEMKBZDYDX-XJKSGUPXSA-N 2 0 266.404 2.838 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423280001 277282793 /nfs/dbraw/zinc/28/27/93/277282793.db2.gz UAKWYVIDNAINRT-QWHCGFSZSA-N 2 0 257.381 2.741 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373293616 277334643 /nfs/dbraw/zinc/33/46/43/277334643.db2.gz OCXRQZINWQVOIF-DKIMLUQUSA-N 2 0 288.435 2.979 20 0 CFADRP CO[C@]1(C)C[C@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C1(C)C ZINC000252656875 277359966 /nfs/dbraw/zinc/35/99/66/277359966.db2.gz WJTXYPOGJHPRHF-IJEWVQPXSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193963616 277386248 /nfs/dbraw/zinc/38/62/48/277386248.db2.gz OEVTYRWTLGLIFU-BRWVUGGUSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374374030 277392343 /nfs/dbraw/zinc/39/23/43/277392343.db2.gz KSTVZFKJRBNHHW-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423326900 277693406 /nfs/dbraw/zinc/69/34/06/277693406.db2.gz KTFFBERNGLYOTC-UONOGXRCSA-N 2 0 268.445 2.558 20 0 CFADRP C(C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000373697218 277719466 /nfs/dbraw/zinc/71/94/66/277719466.db2.gz PGPCTJQBJLPSSB-BRWVUGGUSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000227535727 277898101 /nfs/dbraw/zinc/89/81/01/277898101.db2.gz HYTYKGRMPLZFPU-KURKYZTESA-N 2 0 287.451 2.841 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249550 277948016 /nfs/dbraw/zinc/94/80/16/277948016.db2.gz OTNSQWLRIWNPDT-DYVFJYSZSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349462 277996800 /nfs/dbraw/zinc/99/68/00/277996800.db2.gz VQMSXRVGVUOJAN-RHSMWYFYSA-N 2 0 292.398 2.801 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCC2)CC[N@@H+]1C ZINC000353957288 278025244 /nfs/dbraw/zinc/02/52/44/278025244.db2.gz OYCIIEMLUIVMHO-GHMZBOCLSA-N 2 0 264.335 2.791 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000300408657 278145557 /nfs/dbraw/zinc/14/55/57/278145557.db2.gz GHQWPXRCJBQLMH-LJISPDSOSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CSCCS1 ZINC000229590577 278216628 /nfs/dbraw/zinc/21/66/28/278216628.db2.gz JMQHXZKSHCPLCE-HZSPNIEDSA-N 2 0 288.526 2.735 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888399 278226556 /nfs/dbraw/zinc/22/65/56/278226556.db2.gz CPDSFFPCNSELHA-GJZGRUSLSA-N 2 0 290.455 2.677 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000423118952 278226703 /nfs/dbraw/zinc/22/67/03/278226703.db2.gz ASLSTOGEMMPESK-YXJHDRRASA-N 2 0 296.414 2.711 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415070652 278227163 /nfs/dbraw/zinc/22/71/63/278227163.db2.gz IVGCSEYDPLGDEP-QWRGUYRKSA-N 2 0 252.324 2.839 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000422960724 278227604 /nfs/dbraw/zinc/22/76/04/278227604.db2.gz XNWHNZXWSICADQ-NHYWBVRUSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000415015454 278228216 /nfs/dbraw/zinc/22/82/16/278228216.db2.gz ASUKOGPRLKEOBV-IINYFYTJSA-N 2 0 252.789 2.524 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000414805260 278232491 /nfs/dbraw/zinc/23/24/91/278232491.db2.gz AIUPVYHLPDQLNF-WBQNTZJQSA-N 2 0 286.419 2.754 20 0 CFADRP C[C@@H](CCO)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286052952 278234912 /nfs/dbraw/zinc/23/49/12/278234912.db2.gz LBUUIACURZUKIF-ZLPCBKJTSA-N 2 0 290.451 2.790 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423312714 278245515 /nfs/dbraw/zinc/24/55/15/278245515.db2.gz VKHLUNYDDFWVTI-IINYFYTJSA-N 2 0 252.789 2.902 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423295827 278245692 /nfs/dbraw/zinc/24/56/92/278245692.db2.gz FVEOVRYUPXPFEA-GXFFZTMASA-N 2 0 268.788 2.738 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423294232 278245719 /nfs/dbraw/zinc/24/57/19/278245719.db2.gz BKLUAHVCNBNWBK-ZANVPECISA-N 2 0 283.213 2.621 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)C[NH+]1CCCC1 ZINC000062077392 278287166 /nfs/dbraw/zinc/28/71/66/278287166.db2.gz WNBMRPIFFOGAKT-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000334801887 278305206 /nfs/dbraw/zinc/30/52/06/278305206.db2.gz PVVBQYNYGFVVEW-BDJLRTHQSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224198398 278308197 /nfs/dbraw/zinc/30/81/97/278308197.db2.gz YKQOIEWDVCFIET-MNOVXSKESA-N 2 0 288.313 2.927 20 0 CFADRP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423093008 278321793 /nfs/dbraw/zinc/32/17/93/278321793.db2.gz FEUDMAWTXKTLOB-WQVCFCJDSA-N 2 0 276.424 2.908 20 0 CFADRP CC1(C)C[N@H+](CC[C@H]2CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000420363209 278333815 /nfs/dbraw/zinc/33/38/15/278333815.db2.gz BJPUYECPPWSOMU-VXGBXAGGSA-N 2 0 278.362 2.896 20 0 CFADRP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000422818654 278335458 /nfs/dbraw/zinc/33/54/58/278335458.db2.gz GTNZUICDOMLHCV-RHSMWYFYSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423348014 278335559 /nfs/dbraw/zinc/33/55/59/278335559.db2.gz RSDSAQMMKHPLAM-YJBOKZPZSA-N 3 0 291.483 2.539 20 0 CFADRP C[C@@H]([NH2+]C1CCc2ccccc2CC1)[C@H]1CC[NH2+]C1 ZINC000335174886 278336870 /nfs/dbraw/zinc/33/68/70/278336870.db2.gz CMSKDYRUFDZCCY-CJNGLKHVSA-N 2 0 258.409 2.522 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194089664 278342364 /nfs/dbraw/zinc/34/23/64/278342364.db2.gz YGZBOFPTHRQCPG-OWCLPIDISA-N 2 0 292.467 2.797 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccn(C)n1 ZINC000414069888 278344029 /nfs/dbraw/zinc/34/40/29/278344029.db2.gz KSJNMWKPYBKQNC-BZUAXINKSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423102880 278348317 /nfs/dbraw/zinc/34/83/17/278348317.db2.gz AGDBBTXLEWLKPZ-JKJDWNRSSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423143165 278348599 /nfs/dbraw/zinc/34/85/99/278348599.db2.gz CMEOFDKWKXNGEE-UNEWFSDZSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422885014 278355038 /nfs/dbraw/zinc/35/50/38/278355038.db2.gz GHALBUYAUXIOSI-IIAWOOMASA-N 2 0 274.408 2.673 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358043101 278355111 /nfs/dbraw/zinc/35/51/11/278355111.db2.gz HAZQYDJDQBBUKO-ZJIFWQFVSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1F ZINC000186605503 278362746 /nfs/dbraw/zinc/36/27/46/278362746.db2.gz AKJANAVGWDBPIQ-LSDHHAIUSA-N 2 0 293.430 2.502 20 0 CFADRP CC(C)(C)[NH2+]CC[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000414739511 278369347 /nfs/dbraw/zinc/36/93/47/278369347.db2.gz FZBWXCALZJSSAO-DGKWVBSXSA-N 2 0 250.430 2.885 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@H]2CCCO[C@H]21 ZINC000373524063 278443665 /nfs/dbraw/zinc/44/36/65/278443665.db2.gz QSGRIYXAPYGAEI-SWHNLWLKSA-N 2 0 292.467 2.797 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]C3CCC([NH3+])CC3)CC2)CC1 ZINC000334865134 278536827 /nfs/dbraw/zinc/53/68/27/278536827.db2.gz QXESILASOQWCNK-UHFFFAOYSA-N 3 0 293.499 2.889 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000367110781 278540272 /nfs/dbraw/zinc/54/02/72/278540272.db2.gz YPTJVOBRSAILMS-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422889556 278561898 /nfs/dbraw/zinc/56/18/98/278561898.db2.gz PWANSFRAIICKII-FMKPAKJESA-N 2 0 274.408 2.530 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349358177 278663030 /nfs/dbraw/zinc/66/30/30/278663030.db2.gz VNLJLAONYPBGEP-DLBZAZTESA-N 2 0 281.488 2.737 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C(=O)OC)cc1 ZINC000423361723 288070433 /nfs/dbraw/zinc/07/04/33/288070433.db2.gz AOHUKELHGJHMTO-UHOFOFEASA-N 2 0 290.407 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436289374 288079583 /nfs/dbraw/zinc/07/95/83/288079583.db2.gz HYRSPCOMRWPTED-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157284065 278805171 /nfs/dbraw/zinc/80/51/71/278805171.db2.gz LHEITCMRGLRZCC-DLBZAZTESA-N 2 0 273.424 2.595 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000334296045 288090097 /nfs/dbraw/zinc/09/00/97/288090097.db2.gz XVZATIANFCNSMF-CPFNUKBASA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000294704616 279040433 /nfs/dbraw/zinc/04/04/33/279040433.db2.gz BBSMYVHOMCMIQS-CKEIUWERSA-N 2 0 276.424 2.794 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000336805939 279092346 /nfs/dbraw/zinc/09/23/46/279092346.db2.gz XPONCWUHEAOLMC-GOEBONIOSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778525 279095067 /nfs/dbraw/zinc/09/50/67/279095067.db2.gz IYWFSRLTEWLHDW-XHSDSOJGSA-N 2 0 252.446 2.990 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000191840374 279100220 /nfs/dbraw/zinc/10/02/20/279100220.db2.gz UILWFLVTADTTEQ-HZPDHXFCSA-N 2 0 278.444 2.688 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000352928068 279108960 /nfs/dbraw/zinc/10/89/60/279108960.db2.gz APGUFKUTHBDHQY-WBVHZDCISA-N 2 0 282.472 2.927 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000352928067 279108966 /nfs/dbraw/zinc/10/89/66/279108966.db2.gz APGUFKUTHBDHQY-RDJZCZTQSA-N 2 0 282.472 2.927 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479132 288105803 /nfs/dbraw/zinc/10/58/03/288105803.db2.gz WHSDBFTUONQTFC-BRWVUGGUSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000368292375 279139124 /nfs/dbraw/zinc/13/91/24/279139124.db2.gz UGMVOSINSKZNIQ-VMUDFCTBSA-N 2 0 274.408 2.623 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@@H]([NH+](C)C)C2)c1Cl ZINC000334194531 279164060 /nfs/dbraw/zinc/16/40/60/279164060.db2.gz JCCMIKWQGZHOAS-LLVKDONJSA-N 2 0 253.777 2.574 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000442744990 279181297 /nfs/dbraw/zinc/18/12/97/279181297.db2.gz IQFPYTTVNDHVTR-CYDGBPFRSA-N 2 0 278.400 2.709 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000331483171 279251307 /nfs/dbraw/zinc/25/13/07/279251307.db2.gz FAGFULDQBFDORK-SWHYSGLUSA-N 2 0 265.401 2.645 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422912133 279255916 /nfs/dbraw/zinc/25/59/16/279255916.db2.gz VNEVYQQLCIHRNH-WBVHZDCISA-N 3 0 281.488 2.748 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(OC)CCCCC2)C1 ZINC000359694535 279317089 /nfs/dbraw/zinc/31/70/89/279317089.db2.gz JFBBYHWGYZSCED-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000347923600 279356440 /nfs/dbraw/zinc/35/64/40/279356440.db2.gz ONHPJIMEOMEJEP-KRWDZBQOSA-N 2 0 283.504 2.676 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414930850 279378654 /nfs/dbraw/zinc/37/86/54/279378654.db2.gz BDPFUSZHDWRFNE-LALPHHSUSA-N 2 0 266.816 2.859 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423544797 279455135 /nfs/dbraw/zinc/45/51/35/279455135.db2.gz IYBIZANAQGKCMI-GVRJEKJASA-N 2 0 268.420 2.883 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000335499448 279466757 /nfs/dbraw/zinc/46/67/57/279466757.db2.gz FNZVKORFHPPCKU-OAHLLOKOSA-N 2 0 276.355 2.549 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423476097 279476933 /nfs/dbraw/zinc/47/69/33/279476933.db2.gz QLQUYPDOOBSZST-DMDPSCGWSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1nc2ccccc2n1C ZINC000423275894 279504701 /nfs/dbraw/zinc/50/47/01/279504701.db2.gz MGLXFSIGGTZOHT-MELADBBJSA-N 2 0 286.423 2.741 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@H]1CCC[NH2+]C1 ZINC000422958137 279548887 /nfs/dbraw/zinc/54/88/87/279548887.db2.gz ORUQRAGEPLGRMT-RBOXIYTFSA-N 2 0 262.372 2.791 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414813053 279638091 /nfs/dbraw/zinc/63/80/91/279638091.db2.gz YCWVOMKBYLWIGG-VBNZEHGJSA-N 2 0 278.827 2.914 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000422818563 279672370 /nfs/dbraw/zinc/67/23/70/279672370.db2.gz KSQJSXNWWJBAGY-QCNOEVLYSA-N 2 0 264.335 2.825 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000414910944 279688459 /nfs/dbraw/zinc/68/84/59/279688459.db2.gz VZJWYYABIDUKII-JZXOWHBKSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)Cc1ccccc1 ZINC000423074465 279853127 /nfs/dbraw/zinc/85/31/27/279853127.db2.gz USVDBHQXGXPEEF-GDBMZVCRSA-N 2 0 260.425 2.699 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCO1 ZINC000225588526 280020619 /nfs/dbraw/zinc/02/06/19/280020619.db2.gz KBUCPSNWTPIZNK-GJZGRUSLSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246869421 280032612 /nfs/dbraw/zinc/03/26/12/280032612.db2.gz CLEVRXJWBLOVGT-VYDXJSESSA-N 2 0 287.451 2.510 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422819707 280048801 /nfs/dbraw/zinc/04/88/01/280048801.db2.gz NPIJVPRYPIGNDE-SYQHCUMBSA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422982808 280158666 /nfs/dbraw/zinc/15/86/66/280158666.db2.gz RLOKDTVNSWLHCW-NHYWBVRUSA-N 2 0 266.816 2.859 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000334584816 280172967 /nfs/dbraw/zinc/17/29/67/280172967.db2.gz IYGGIMPNOXUHAX-SJORKVTESA-N 2 0 258.409 2.920 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCOC1 ZINC000124347639 280184559 /nfs/dbraw/zinc/18/45/59/280184559.db2.gz NDYUTOWIEMDPFD-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357070162 280218328 /nfs/dbraw/zinc/21/83/28/280218328.db2.gz ACUBJJSIUJJEDC-DLBZAZTESA-N 2 0 276.424 2.620 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000430699537 280319488 /nfs/dbraw/zinc/31/94/88/280319488.db2.gz PVZTVWASTPJMSS-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423406367 280328616 /nfs/dbraw/zinc/32/86/16/280328616.db2.gz KNODRFMOZTUONY-XHSDSOJGSA-N 2 0 282.472 2.807 20 0 CFADRP OCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188037552 280409878 /nfs/dbraw/zinc/40/98/78/280409878.db2.gz IDMMUIIWJFVRCR-CRAIPNDOSA-N 2 0 294.483 2.924 20 0 CFADRP OCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000227455189 280418304 /nfs/dbraw/zinc/41/83/04/280418304.db2.gz LSSZMKQDPHBQIS-OKZBNKHCSA-N 2 0 288.435 2.579 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000068626656 280476906 /nfs/dbraw/zinc/47/69/06/280476906.db2.gz CJEVHLFWXNBLND-MLHJIOFPSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2[nH+]1 ZINC000261836780 280578256 /nfs/dbraw/zinc/57/82/56/280578256.db2.gz VDSHVWQNFYZGTI-KBPBESRZSA-N 2 0 267.376 2.589 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420404197 280758530 /nfs/dbraw/zinc/75/85/30/280758530.db2.gz LXNHTHBHZYTLOV-GUTXKFCHSA-N 2 0 264.413 2.762 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423175733 280835904 /nfs/dbraw/zinc/83/59/04/280835904.db2.gz AYPVNZYZKZNHNT-QGZVFWFLSA-N 2 0 258.409 2.658 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000191268487 280897245 /nfs/dbraw/zinc/89/72/45/280897245.db2.gz HDZPOEIDWPJVJJ-ZDUSSCGKSA-N 2 0 292.471 2.939 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000219315518 280932777 /nfs/dbraw/zinc/93/27/77/280932777.db2.gz XIGKYGCMRCBXKM-QZTJIDSGSA-N 2 0 290.451 2.881 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2C)[C@@H](C)C1 ZINC000247156938 281006351 /nfs/dbraw/zinc/00/63/51/281006351.db2.gz RUXQPVQCXSKQGN-WMLDXEAASA-N 2 0 278.415 2.997 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247153109 281006466 /nfs/dbraw/zinc/00/64/66/281006466.db2.gz SZCKTSOTXXLWSD-XMTFNYHQSA-N 3 0 295.515 2.817 20 0 CFADRP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000247196146 281007268 /nfs/dbraw/zinc/00/72/68/281007268.db2.gz UQDHKSUSCKEKJX-OCCSQVGLSA-N 2 0 281.469 2.568 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000247222682 281007683 /nfs/dbraw/zinc/00/76/83/281007683.db2.gz XVMXSGRTOKNYRN-KSZLIROESA-N 3 0 295.515 2.961 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000248157882 281018460 /nfs/dbraw/zinc/01/84/60/281018460.db2.gz RQNWZNRUMJBZNJ-CABCVRRESA-N 2 0 294.439 2.730 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000248166484 281018581 /nfs/dbraw/zinc/01/85/81/281018581.db2.gz TUCRKTHDPKEAET-FPCVCCKLSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248439197 281022439 /nfs/dbraw/zinc/02/24/39/281022439.db2.gz CGRYZIUFDOXYMB-GJZGRUSLSA-N 2 0 298.471 2.770 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[C@@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248485796 281023391 /nfs/dbraw/zinc/02/33/91/281023391.db2.gz KXDWNYXETCEEES-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCCC1 ZINC000248507705 281024224 /nfs/dbraw/zinc/02/42/24/281024224.db2.gz XOMUFMWTSPXPPS-TWMKSMIVSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2OC)C1 ZINC000252439425 281076167 /nfs/dbraw/zinc/07/61/67/281076167.db2.gz OMIQCPSRXMBZTO-CABCVRRESA-N 2 0 276.424 2.996 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252860579 281078001 /nfs/dbraw/zinc/07/80/01/281078001.db2.gz NAGYWFSFJVEXRM-YESZJQIVSA-N 2 0 258.409 2.863 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000259225071 281111750 /nfs/dbraw/zinc/11/17/50/281111750.db2.gz XSTHCEGMVDGCDN-ZJUUUORDSA-N 2 0 289.242 2.523 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305152462 281150948 /nfs/dbraw/zinc/15/09/48/281150948.db2.gz PDBPNFJVWWIXFW-KRWDZBQOSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cn2c1 ZINC000335276743 281153813 /nfs/dbraw/zinc/15/38/13/281153813.db2.gz FMIOUXRJXHQLOK-HNNXBMFYSA-N 2 0 298.434 2.607 20 0 CFADRP CC[C@H](C)[N@H+](C)CCNc1cc[nH+]cc1-c1cccnc1 ZINC000368185501 281188998 /nfs/dbraw/zinc/18/89/98/281188998.db2.gz TYZVHBFOSHMPRF-AWEZNQCLSA-N 2 0 284.407 2.708 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000395759119 281196148 /nfs/dbraw/zinc/19/61/48/281196148.db2.gz JLRUTNDZQHNTCL-UHFFFAOYSA-N 2 0 292.471 2.984 20 0 CFADRP Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1Br ZINC000423065518 281219182 /nfs/dbraw/zinc/21/91/82/281219182.db2.gz BMLSZYGHVQWAFS-AAEUAGOBSA-N 2 0 297.240 2.975 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422930337 281222349 /nfs/dbraw/zinc/22/23/49/281222349.db2.gz SXYWOJOQPUADDH-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422929722 281222489 /nfs/dbraw/zinc/22/24/89/281222489.db2.gz RFMAVLOJFBZJHH-WDEREUQCSA-N 2 0 298.814 2.717 20 0 CFADRP C[C@H](Cc1ccccc1Br)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422929826 281222504 /nfs/dbraw/zinc/22/25/04/281222504.db2.gz RQDZTNHOHDYAEJ-GHMZBOCLSA-N 2 0 297.240 2.578 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423011662 281223124 /nfs/dbraw/zinc/22/31/24/281223124.db2.gz BKCJXTNKKNFJSK-AMFBXLIHSA-N 2 0 298.789 2.507 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423011466 281223266 /nfs/dbraw/zinc/22/32/66/281223266.db2.gz ISQJMYURKMFCQI-KSSFIOAISA-N 2 0 298.434 2.565 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414677751 281249708 /nfs/dbraw/zinc/24/97/08/281249708.db2.gz JNKCZYXUBKPEDZ-JKSUJKDBSA-N 2 0 276.424 2.694 20 0 CFADRP Clc1ccc(CC[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000459376321 281259166 /nfs/dbraw/zinc/25/91/66/281259166.db2.gz ODVLYIUGCXNXDQ-UHFFFAOYSA-N 2 0 296.842 2.585 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423333567 281271993 /nfs/dbraw/zinc/27/19/93/281271993.db2.gz QBAAUTXGKOUKFC-MRXNPFEDSA-N 2 0 258.409 2.962 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527720581 281344354 /nfs/dbraw/zinc/34/43/54/281344354.db2.gz NGJAGFPAXGHUOJ-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP Cc1ccccc1N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359217563 281347418 /nfs/dbraw/zinc/34/74/18/281347418.db2.gz SJRKHKLTXFEEQV-UHFFFAOYSA-N 2 0 287.451 2.507 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])c2cc(N)ccc2O1 ZINC000332069647 281360442 /nfs/dbraw/zinc/36/04/42/281360442.db2.gz UWTRUTJUFFUYNT-CQDKDKBSSA-N 2 0 289.423 2.588 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261816847 281365728 /nfs/dbraw/zinc/36/57/28/281365728.db2.gz RWZPAYPZJDGSEO-MRXNPFEDSA-N 2 0 258.409 2.784 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423449969 281516305 /nfs/dbraw/zinc/51/63/05/281516305.db2.gz GYOLKCHKYDGBMK-GHMZBOCLSA-N 2 0 267.442 2.800 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCNc3ccccc32)CC[NH2+]CC1 ZINC000335021718 281573199 /nfs/dbraw/zinc/57/31/99/281573199.db2.gz CUVWEZBLYCFFBO-MRXNPFEDSA-N 2 0 273.424 2.913 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000133980775 281677657 /nfs/dbraw/zinc/67/76/57/281677657.db2.gz OWZPCOFSRNRVTI-WMZOPIPTSA-N 2 0 293.499 2.594 20 0 CFADRP C[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO[C@H]1C1CC1 ZINC000546648978 281715625 /nfs/dbraw/zinc/71/56/25/281715625.db2.gz PRMUWLXDSGGZJM-ZWKOTPCHSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000248829446 288361545 /nfs/dbraw/zinc/36/15/45/288361545.db2.gz DUQLGPHUOYAEGN-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000551874771 281843205 /nfs/dbraw/zinc/84/32/05/281843205.db2.gz UTIYMZGPEXKJNH-CYBMUJFWSA-N 2 0 291.439 2.853 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000422922056 281894257 /nfs/dbraw/zinc/89/42/57/281894257.db2.gz RQSOULVTHHEARF-LBPRGKRZSA-N 2 0 261.413 2.936 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000556078087 281926175 /nfs/dbraw/zinc/92/61/75/281926175.db2.gz ODTLODAABPAYCJ-ZWKOTPCHSA-N 2 0 290.451 2.799 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000559642271 282008809 /nfs/dbraw/zinc/00/88/09/282008809.db2.gz SENFHZWBNVYQTR-KRWDZBQOSA-N 2 0 292.467 2.517 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1COc2ccccc2C1)C(C)(C)C ZINC000559767366 282009586 /nfs/dbraw/zinc/00/95/86/282009586.db2.gz RZHQDOGOKVDHLC-NVXWUHKLSA-N 2 0 290.451 2.946 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000560495540 282031012 /nfs/dbraw/zinc/03/10/12/282031012.db2.gz VTOWUKSHDGQRJZ-KWEXDPCDSA-N 2 0 280.362 2.909 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000560892061 282043510 /nfs/dbraw/zinc/04/35/10/282043510.db2.gz JHELGFMRZINNQH-JKSUJKDBSA-N 2 0 276.424 2.612 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000560896831 282043916 /nfs/dbraw/zinc/04/39/16/282043916.db2.gz BRRJQIDMQAJKGR-VXGBXAGGSA-N 2 0 253.415 2.526 20 0 CFADRP CCn1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)nc2ccccc21 ZINC000560973770 282044601 /nfs/dbraw/zinc/04/46/01/282044601.db2.gz PUSKKAHELVFTFZ-AWEZNQCLSA-N 2 0 286.423 2.678 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000560954322 282044642 /nfs/dbraw/zinc/04/46/42/282044642.db2.gz OLRGXTVFRLBMCS-STQMWFEESA-N 2 0 268.788 2.708 20 0 CFADRP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000157498324 282046127 /nfs/dbraw/zinc/04/61/27/282046127.db2.gz BOINPTPADHADKY-HOTGVXAUSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000352721905 288505127 /nfs/dbraw/zinc/50/51/27/288505127.db2.gz MOUOUULVYRYGBV-WBVHZDCISA-N 2 0 280.456 2.609 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423269322 288600271 /nfs/dbraw/zinc/60/02/71/288600271.db2.gz FKKYFDFZRLQWOT-QEJZJMRPSA-N 2 0 261.413 2.812 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000353514476 289066378 /nfs/dbraw/zinc/06/63/78/289066378.db2.gz GZPWOAKYVNDGGA-PEHJNBARSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CSCCc3ccccc32)CCC[NH2+]C1 ZINC000423343716 289175152 /nfs/dbraw/zinc/17/51/52/289175152.db2.gz NRDCAUWYHMHBSL-IAGOWNOFSA-N 2 0 290.476 2.996 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422894506 289366109 /nfs/dbraw/zinc/36/61/09/289366109.db2.gz UAAGTLUPPPTEFR-YESZJQIVSA-N 2 0 281.488 2.747 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1Br ZINC000414912973 533692613 /nfs/dbraw/zinc/69/26/13/533692613.db2.gz ZDJTZSPCRQUZSV-CYBMUJFWSA-N 2 0 297.240 2.989 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000422915627 289464639 /nfs/dbraw/zinc/46/46/39/289464639.db2.gz YUUZIKNWGACSDL-MNOVXSKESA-N 2 0 267.442 2.800 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000453206772 289483583 /nfs/dbraw/zinc/48/35/83/289483583.db2.gz YQLZXNDNFLKRTP-BSDSXHPESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[NH+]1CCCCC1 ZINC000371783826 289491158 /nfs/dbraw/zinc/49/11/58/289491158.db2.gz MURLPWBLHMVKMI-VQHPVUNQSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151850004 289832448 /nfs/dbraw/zinc/83/24/48/289832448.db2.gz QWVQSPNHMHOVOO-IAGOWNOFSA-N 2 0 296.499 2.885 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000155129013 289911913 /nfs/dbraw/zinc/91/19/13/289911913.db2.gz HPXPHWAUJXSKEL-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccn1 ZINC000159016159 289985764 /nfs/dbraw/zinc/98/57/64/289985764.db2.gz KKAUDTQQPQDIFL-HNNXBMFYSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423382923 290011750 /nfs/dbraw/zinc/01/17/50/290011750.db2.gz KAZNTDROCUYLQI-FPMFFAJLSA-N 2 0 279.403 2.812 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)C1CCOCC1 ZINC000562623320 290060519 /nfs/dbraw/zinc/06/05/19/290060519.db2.gz CKYDZYGMXSXFPU-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000562955529 290085104 /nfs/dbraw/zinc/08/51/04/290085104.db2.gz AGKQFLILIBLSLV-CJNGLKHVSA-N 2 0 274.408 2.662 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000562956079 290085238 /nfs/dbraw/zinc/08/52/38/290085238.db2.gz CSCPLYICVGXVSB-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCC[NH2+]C(C)C)C2 ZINC000562956382 290085783 /nfs/dbraw/zinc/08/57/83/290085783.db2.gz QZWBWQPYXKKDAI-HNNXBMFYSA-N 2 0 276.424 2.530 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccncc2C)[C@@H](C)C1 ZINC000563061380 290099395 /nfs/dbraw/zinc/09/93/95/290099395.db2.gz HLQDVNXTMGOHAK-DOTOQJQBSA-N 2 0 275.440 2.595 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1F ZINC000563135842 290107504 /nfs/dbraw/zinc/10/75/04/290107504.db2.gz VCIFHYKIMCKKIJ-AVGNSLFASA-N 2 0 282.403 2.728 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCc2ccsc2)CC1 ZINC000563275335 290126352 /nfs/dbraw/zinc/12/63/52/290126352.db2.gz LIIODYYEAPIXFC-UHFFFAOYSA-N 2 0 252.427 2.742 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1 ZINC000563358465 290137988 /nfs/dbraw/zinc/13/79/88/290137988.db2.gz XXRZEUJXTOFUAA-QZTJIDSGSA-N 2 0 290.451 2.916 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000563417220 290146667 /nfs/dbraw/zinc/14/66/67/290146667.db2.gz KFESMAMKBWBZPL-CQSZACIVSA-N 2 0 286.423 2.717 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000563422146 290148690 /nfs/dbraw/zinc/14/86/90/290148690.db2.gz VCGCYQASCQGXIU-OAHLLOKOSA-N 2 0 298.434 2.864 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000563423865 290149168 /nfs/dbraw/zinc/14/91/68/290149168.db2.gz PJJYXNNQNWRXOL-QWHCGFSZSA-N 2 0 264.388 2.963 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2Cc3ccccc3C2)C1 ZINC000563424895 290149441 /nfs/dbraw/zinc/14/94/41/290149441.db2.gz MYFSWYXTGJSXPS-SJORKVTESA-N 2 0 258.409 2.651 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000563667858 290167807 /nfs/dbraw/zinc/16/78/07/290167807.db2.gz VJXDIBASBREIDL-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])C(C)C ZINC000563955490 290186577 /nfs/dbraw/zinc/18/65/77/290186577.db2.gz HVDJMIVUCWEAIS-DOTOQJQBSA-N 2 0 297.487 2.519 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564201125 290196354 /nfs/dbraw/zinc/19/63/54/290196354.db2.gz VECPMVGUJDYSSF-OAHLLOKOSA-N 2 0 260.425 2.905 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCSC2)[C@@H]1c1ccccc1 ZINC000376164220 290196592 /nfs/dbraw/zinc/19/65/92/290196592.db2.gz UUTUQUUCVLPUDE-PMPSAXMXSA-N 2 0 276.449 2.775 20 0 CFADRP Cc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)ccc1Cl ZINC000564315467 290202620 /nfs/dbraw/zinc/20/26/20/290202620.db2.gz SJTFPXLKOZRIPI-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000564469709 290211099 /nfs/dbraw/zinc/21/10/99/290211099.db2.gz HVXQAOZKIJRMKT-SMDDNHRTSA-N 2 0 297.240 2.975 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C2(OC)CCCC2)CC1 ZINC000564557995 290215155 /nfs/dbraw/zinc/21/51/55/290215155.db2.gz QUINIRGDSZGSSC-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000564649626 290220519 /nfs/dbraw/zinc/22/05/19/290220519.db2.gz FXEQYNGMMQODCT-LBPRGKRZSA-N 2 0 284.325 2.680 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000564825961 290237110 /nfs/dbraw/zinc/23/71/10/290237110.db2.gz YLYNZMCUCWMSQA-IPOQPSJVSA-N 2 0 291.439 2.905 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973837 290254142 /nfs/dbraw/zinc/25/41/42/290254142.db2.gz WSCNTCFFBPBMGM-SFHVURJKSA-N 2 0 288.435 2.833 20 0 CFADRP c1ccc2cc(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000564986416 290255151 /nfs/dbraw/zinc/25/51/51/290255151.db2.gz OEEHMTVARBJJTI-OALUTQOASA-N 2 0 280.415 2.924 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)cc2F)[C@@H](C)C1 ZINC000565081273 290266360 /nfs/dbraw/zinc/26/63/60/290266360.db2.gz MWMKIKRXFGFHFL-GUYCJALGSA-N 2 0 294.414 2.996 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000565155417 290273024 /nfs/dbraw/zinc/27/30/24/290273024.db2.gz FARIYVQBBIOZCV-GJZGRUSLSA-N 2 0 262.397 2.576 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000565338639 290294996 /nfs/dbraw/zinc/29/49/96/290294996.db2.gz SOJVMWLUJHBFDR-ZDUSSCGKSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000565357457 290296540 /nfs/dbraw/zinc/29/65/40/290296540.db2.gz YVLQZNWSJOBDHD-XJKSGUPXSA-N 2 0 274.408 2.755 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1(C)C ZINC000565548799 290309734 /nfs/dbraw/zinc/30/97/34/290309734.db2.gz IKQYAGYCPAVNKN-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)cn1 ZINC000565548660 290309768 /nfs/dbraw/zinc/30/97/68/290309768.db2.gz LTDIHALYTMUCGI-ZMLRMANQSA-N 2 0 298.228 2.765 20 0 CFADRP C[C@@H](NCCc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000566062428 290343992 /nfs/dbraw/zinc/34/39/92/290343992.db2.gz IKGTVYOAQRCESS-RISCZKNCSA-N 2 0 284.350 2.561 20 0 CFADRP CC(C)[NH2+]CCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000566088547 290346333 /nfs/dbraw/zinc/34/63/33/290346333.db2.gz ZLSCRTULXNJVAR-ZWKOTPCHSA-N 2 0 289.467 2.800 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000566170751 290355551 /nfs/dbraw/zinc/35/55/51/290355551.db2.gz UCNMHOJTLLFLKI-VQIMIIECSA-N 2 0 299.462 2.881 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CO1 ZINC000566219790 290359137 /nfs/dbraw/zinc/35/91/37/290359137.db2.gz FJPTVDJBEINVEH-JHNDHUHGSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000566306329 290369455 /nfs/dbraw/zinc/36/94/55/290369455.db2.gz MJJKXTMOWNZNGL-HUUCEWRRSA-N 2 0 296.480 2.581 20 0 CFADRP C[C@H]1CCCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000566351255 290373919 /nfs/dbraw/zinc/37/39/19/290373919.db2.gz CJAMWPJDVACGMM-AWEZNQCLSA-N 2 0 258.409 2.954 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000566481839 290393138 /nfs/dbraw/zinc/39/31/38/290393138.db2.gz QNCJETXLZPKHTG-NXEZZACHSA-N 2 0 285.229 2.973 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NCc2cc(-c3ccccc3)on2)C1 ZINC000566482030 290393176 /nfs/dbraw/zinc/39/31/76/290393176.db2.gz RHDNEULKRLMUJL-ZIAGYGMSSA-N 2 0 271.364 2.701 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1(CC)CC ZINC000567259724 290451364 /nfs/dbraw/zinc/45/13/64/290451364.db2.gz VUJNPHMNXBVMJB-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000567453353 290464411 /nfs/dbraw/zinc/46/44/11/290464411.db2.gz POLULMWLJXFSNA-FICVDOATSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000567638950 290479535 /nfs/dbraw/zinc/47/95/35/290479535.db2.gz ZCMGALYYSWABGT-GFCCVEGCSA-N 2 0 299.256 2.969 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000567893771 290502968 /nfs/dbraw/zinc/50/29/68/290502968.db2.gz WOFLSJQXFQUYIO-WCMAUXFHSA-N 2 0 250.430 2.790 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000422730604 293096218 /nfs/dbraw/zinc/09/62/18/293096218.db2.gz MHQGLJSKHBZHDJ-KFWWJZLASA-N 2 0 256.434 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C(C)C)CC1 ZINC000423056893 293098365 /nfs/dbraw/zinc/09/83/65/293098365.db2.gz YZSVTNNJCBAQEG-JYJNAYRXSA-N 2 0 270.461 2.935 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000371517822 293151550 /nfs/dbraw/zinc/15/15/50/293151550.db2.gz FZYHLJBAFMTAKR-BZSNNMDCSA-N 2 0 288.435 2.694 20 0 CFADRP CO[C@@H](CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000345445496 293510266 /nfs/dbraw/zinc/51/02/66/293510266.db2.gz KPQINYPMZXJEOA-LBPRGKRZSA-N 2 0 296.377 2.806 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089232 293622852 /nfs/dbraw/zinc/62/28/52/293622852.db2.gz YOCHIBYTRBSYLW-LVQVYYBASA-N 2 0 268.445 2.844 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423121433 294730111 /nfs/dbraw/zinc/73/01/11/294730111.db2.gz IGWVVNLUSDYUAT-IARIHHJXSA-N 2 0 290.382 2.723 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000037713833 295231156 /nfs/dbraw/zinc/23/11/56/295231156.db2.gz CDECWSOBSXTHTO-GFCCVEGCSA-N 2 0 299.212 2.601 20 0 CFADRP [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334997491 295268953 /nfs/dbraw/zinc/26/89/53/295268953.db2.gz DBXWNXGNKAUPBG-MLGOLLRUSA-N 2 0 262.372 2.874 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH3+])CCCS2 ZINC000423330612 295271133 /nfs/dbraw/zinc/27/11/33/295271133.db2.gz PJWVZOGHKSWERI-AWEZNQCLSA-N 2 0 280.437 2.951 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000423426460 295275515 /nfs/dbraw/zinc/27/55/15/295275515.db2.gz PIAPXLIFHDWOSU-HHARLNAUSA-N 2 0 292.467 2.689 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334614691 295300611 /nfs/dbraw/zinc/30/06/11/295300611.db2.gz BZBCNIGIZYVCPR-HUUCEWRRSA-N 2 0 266.429 2.585 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000424366116 295301078 /nfs/dbraw/zinc/30/10/78/295301078.db2.gz IJAXHZFHLTVQQT-NNYUYHANSA-N 2 0 264.335 2.967 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346820185 295327371 /nfs/dbraw/zinc/32/73/71/295327371.db2.gz JNMFFNOHIRETIR-WMLDXEAASA-N 2 0 274.408 2.832 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261734916 295327504 /nfs/dbraw/zinc/32/75/04/295327504.db2.gz HTSBFYRGSSGVMO-SJORKVTESA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422839900 295336826 /nfs/dbraw/zinc/33/68/26/295336826.db2.gz AQCXWUWWSRHMEF-GJZGRUSLSA-N 2 0 262.372 2.717 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414907307 295364951 /nfs/dbraw/zinc/36/49/51/295364951.db2.gz QGZKTYWAVTYRTP-AWEZNQCLSA-N 2 0 276.424 2.606 20 0 CFADRP CSC1(C[NH2+][C@H](C)C(C)(C)C)CC[NH+](C)CC1 ZINC000353638637 295583131 /nfs/dbraw/zinc/58/31/31/295583131.db2.gz BNHFRNGVCDTYTK-GFCCVEGCSA-N 2 0 258.475 2.838 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC2(C)C)CC[NH+](C)CC1 ZINC000353623657 295583330 /nfs/dbraw/zinc/58/33/30/295583330.db2.gz OQRNLOXJLQGPFD-LBPRGKRZSA-N 2 0 256.459 2.592 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@H]2C)CC[NH+](C)CC1 ZINC000353194671 295583356 /nfs/dbraw/zinc/58/33/56/295583356.db2.gz QHJUYSRWYBXIJY-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423393308 297107769 /nfs/dbraw/zinc/10/77/69/297107769.db2.gz MDUDWHGKFCKHNU-IVMMDQJWSA-N 2 0 259.397 2.521 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261563066 297108202 /nfs/dbraw/zinc/10/82/02/297108202.db2.gz GUVBSNRJDCUYMI-RHYQMDGZSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000235381292 297251709 /nfs/dbraw/zinc/25/17/09/297251709.db2.gz NLAHNUZXCNCAGY-GRYCIOLGSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423425896 298392352 /nfs/dbraw/zinc/39/23/52/298392352.db2.gz HINZGHCUJZYCMT-KLHDSHLOSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000422991186 298392999 /nfs/dbraw/zinc/39/29/99/298392999.db2.gz OPKZBOMACUAAKF-DJIMGWMZSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000422992001 298398824 /nfs/dbraw/zinc/39/88/24/298398824.db2.gz PJMGYNBYDQGUFS-WFWUXJIDSA-N 2 0 250.430 2.776 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000193982717 298787942 /nfs/dbraw/zinc/78/79/42/298787942.db2.gz RNDWFRQCPZAYBJ-QBPKDAKJSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415084501 298820428 /nfs/dbraw/zinc/82/04/28/298820428.db2.gz RJQFIEKLNHYMAN-UPJWGTAASA-N 2 0 296.377 2.854 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H]2CCCC[C@@H]12 ZINC000414719869 300266409 /nfs/dbraw/zinc/26/64/09/300266409.db2.gz ZZYPHVSMZCHONK-CQJMVSDSSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cn(C)c2c1 ZINC000423062680 301874629 /nfs/dbraw/zinc/87/46/29/301874629.db2.gz URKJFDCERRFJBQ-UONOGXRCSA-N 2 0 273.424 2.745 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(Cl)c1 ZINC000415007688 533695396 /nfs/dbraw/zinc/69/53/96/533695396.db2.gz BVZJVDMYMLUBMK-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000089145510 302579204 /nfs/dbraw/zinc/57/92/04/302579204.db2.gz NZLRUOZKSIPDMT-CYZMBNFOSA-N 2 0 267.442 2.928 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149161 303128635 /nfs/dbraw/zinc/12/86/35/303128635.db2.gz XGZSSUYHCUOVBL-AESZEHBQSA-N 2 0 290.382 2.723 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000423118187 303371357 /nfs/dbraw/zinc/37/13/57/303371357.db2.gz ZFDMSECVIKBXSN-FIYWTHMPSA-N 2 0 276.371 2.644 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423268526 303400795 /nfs/dbraw/zinc/40/07/95/303400795.db2.gz DXHMEZHLOYLZJA-JJTUDDRGSA-N 2 0 280.456 2.689 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000089147610 303408394 /nfs/dbraw/zinc/40/83/94/303408394.db2.gz AJQSXZSTVMSZAB-DLBZAZTESA-N 2 0 293.499 2.892 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000423492233 303411287 /nfs/dbraw/zinc/41/12/87/303411287.db2.gz MGLCFLYWQNZESY-ZLDLUXBVSA-N 2 0 278.371 2.756 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423551211 304857937 /nfs/dbraw/zinc/85/79/37/304857937.db2.gz UFKGTYLPQMSRQL-ADAWSYLGSA-N 2 0 285.435 2.911 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439375 304857975 /nfs/dbraw/zinc/85/79/75/304857975.db2.gz NQJBMXJMXXKFQM-RYQLBKOJSA-N 2 0 285.435 2.911 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414858358 533698202 /nfs/dbraw/zinc/69/82/02/533698202.db2.gz ROLWUBJNXJWUKH-DGCLKSJQSA-N 2 0 282.815 2.826 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc2cccnc12 ZINC000414826056 533703783 /nfs/dbraw/zinc/70/37/83/533703783.db2.gz IBWITWGHUPLTQH-AWEZNQCLSA-N 2 0 269.392 2.632 20 0 CFADRP C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cscn1 ZINC000162373420 322363872 /nfs/dbraw/zinc/36/38/72/322363872.db2.gz OUMYWMWRUVQZMX-QWHCGFSZSA-N 2 0 267.442 2.916 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000163257503 322374574 /nfs/dbraw/zinc/37/45/74/322374574.db2.gz SGPNBAMHJCRTAZ-QWHCGFSZSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cc[nH]c(=O)c1 ZINC000569670044 322488287 /nfs/dbraw/zinc/48/82/87/322488287.db2.gz MJPPZZBWFJABSU-CYBMUJFWSA-N 2 0 298.390 2.502 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2F)C1 ZINC000570343832 322528064 /nfs/dbraw/zinc/52/80/64/322528064.db2.gz NBSCMXVIDAXUOV-ZIAGYGMSSA-N 2 0 282.428 2.918 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)o1 ZINC000570394216 322530101 /nfs/dbraw/zinc/53/01/01/322530101.db2.gz ZSCSGKILXBLWSD-OAHLLOKOSA-N 2 0 293.455 2.575 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000572900246 322636358 /nfs/dbraw/zinc/63/63/58/322636358.db2.gz ZTMUZOJNAVIWGX-QYNFOATHSA-N 2 0 264.335 2.790 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cscn1 ZINC000573107982 322644676 /nfs/dbraw/zinc/64/46/76/322644676.db2.gz MFKBOPXDBBVBPL-VOMCLLRMSA-N 2 0 253.415 2.667 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCOCCc2ccccc2)C1 ZINC000573137322 322645772 /nfs/dbraw/zinc/64/57/72/322645772.db2.gz KMQHANIAORTKLR-QZTJIDSGSA-N 2 0 290.451 2.885 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000573555746 322660470 /nfs/dbraw/zinc/66/04/70/322660470.db2.gz ZICPJMJJETZTAL-CYBMUJFWSA-N 2 0 292.423 2.662 20 0 CFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000573844770 322670774 /nfs/dbraw/zinc/67/07/74/322670774.db2.gz KLHFMJMLPJGSOC-NWDGAFQWSA-N 2 0 290.386 2.535 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CCC2CCCCCC2)CC1 ZINC000574607288 322698951 /nfs/dbraw/zinc/69/89/51/322698951.db2.gz WRWPPIUHXYHMMG-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000181700534 323821790 /nfs/dbraw/zinc/82/17/90/323821790.db2.gz WJVDLCNRORPBNX-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2nccn2C)CC1 ZINC000182830874 323884459 /nfs/dbraw/zinc/88/44/59/323884459.db2.gz FGQXPGRKINTQQX-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP COC[C@H](C)C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000187670847 324000062 /nfs/dbraw/zinc/00/00/62/324000062.db2.gz QMQLYXQFCUTHPL-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@H](C)C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000187704698 324001106 /nfs/dbraw/zinc/00/11/06/324001106.db2.gz IAJWVLUZJLXAED-QLFBSQMISA-N 2 0 270.461 2.615 20 0 CFADRP COC[C@H](C)C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000187826740 324003172 /nfs/dbraw/zinc/00/31/72/324003172.db2.gz AZJPUGWJWPSXOO-OAHLLOKOSA-N 2 0 256.434 2.515 20 0 CFADRP COCCC1(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000189179478 324025695 /nfs/dbraw/zinc/02/56/95/324025695.db2.gz XVMUZPZHRARYIP-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191523127 324050643 /nfs/dbraw/zinc/05/06/43/324050643.db2.gz XMVKDKVWQSUEKO-BFQNTYOBSA-N 2 0 282.378 2.826 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCSC1 ZINC000384160412 324443964 /nfs/dbraw/zinc/44/39/64/324443964.db2.gz RJPCENPJLCOSNM-ZQDZILKHSA-N 2 0 268.470 2.640 20 0 CFADRP CSCC1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000385307995 324459495 /nfs/dbraw/zinc/45/94/95/324459495.db2.gz MMZVQHZYDBUXQK-UHFFFAOYSA-N 2 0 256.459 2.768 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000576315357 324602506 /nfs/dbraw/zinc/60/25/06/324602506.db2.gz PMMLRHSXBPPEAS-HOTGVXAUSA-N 2 0 283.504 2.673 20 0 CFADRP CSCC1CCC([NH2+]CCC[NH2+]C(C)C)CC1 ZINC000577620144 324759686 /nfs/dbraw/zinc/75/96/86/324759686.db2.gz IDDYGOAJWPLVQB-UHFFFAOYSA-N 2 0 258.475 2.886 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000579699558 324971792 /nfs/dbraw/zinc/97/17/92/324971792.db2.gz SYBKVORDXCQCGR-MRXNPFEDSA-N 2 0 262.397 2.662 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000579718487 324974563 /nfs/dbraw/zinc/97/45/63/324974563.db2.gz UKBNUFMVJHAZGP-UHFFFAOYSA-N 2 0 298.434 2.742 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580311907 325024540 /nfs/dbraw/zinc/02/45/40/325024540.db2.gz WLDMBQBUWHWORP-NXHRZFHOSA-N 2 0 272.436 2.797 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580311906 325024818 /nfs/dbraw/zinc/02/48/18/325024818.db2.gz WLDMBQBUWHWORP-NJAFHUGGSA-N 2 0 272.436 2.797 20 0 CFADRP Cc1ccc(SCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000580445981 325037600 /nfs/dbraw/zinc/03/76/00/325037600.db2.gz QOPWDLPYMPQUEY-CVEARBPZSA-N 2 0 290.476 2.937 20 0 CFADRP C[C@@H]([NH2+]CCCCn1ccnc1)c1cn2ccccc2n1 ZINC000580465732 325039846 /nfs/dbraw/zinc/03/98/46/325039846.db2.gz URCDOQUAJCHKJJ-CQSZACIVSA-N 2 0 283.379 2.662 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000580724636 325059793 /nfs/dbraw/zinc/05/97/93/325059793.db2.gz FKNVCVWOFLWPTM-UBHSHLNASA-N 2 0 250.386 2.769 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cn2ccccc2n1 ZINC000580784682 325064671 /nfs/dbraw/zinc/06/46/71/325064671.db2.gz ZGLKEGRQCYYVAJ-HUUCEWRRSA-N 2 0 286.423 2.717 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000580939964 325076214 /nfs/dbraw/zinc/07/62/14/325076214.db2.gz QGKCNIVGUPOYEN-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000580963368 325078982 /nfs/dbraw/zinc/07/89/82/325078982.db2.gz NSROAYXOVIMSBX-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000581179371 325097403 /nfs/dbraw/zinc/09/74/03/325097403.db2.gz YYOIQJOBFTXOTE-GXFFZTMASA-N 2 0 254.324 2.572 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000581498718 325127476 /nfs/dbraw/zinc/12/74/76/325127476.db2.gz HXIVDFRVMKCEAF-ZIAGYGMSSA-N 2 0 274.408 2.586 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000581966885 325164372 /nfs/dbraw/zinc/16/43/72/325164372.db2.gz VERQKFKUYVPZEK-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000582271449 325191493 /nfs/dbraw/zinc/19/14/93/325191493.db2.gz ZUDAWNKKHWUACA-OWCLPIDISA-N 2 0 289.467 2.986 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582288720 325192839 /nfs/dbraw/zinc/19/28/39/325192839.db2.gz NDWOKWKQEJRLSR-XJKSGUPXSA-N 2 0 299.418 2.851 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CC[NH2+]CC1)CC3 ZINC000582600266 325217913 /nfs/dbraw/zinc/21/79/13/325217913.db2.gz KSOQAJSIXNWFHQ-HNNXBMFYSA-N 2 0 297.446 2.923 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)C1 ZINC000582615673 325220357 /nfs/dbraw/zinc/22/03/57/325220357.db2.gz AQCGNNGTSJSILB-WDEREUQCSA-N 2 0 272.314 2.506 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC000582719835 325228216 /nfs/dbraw/zinc/22/82/16/325228216.db2.gz RYHWTMZLSVTXQT-CYBMUJFWSA-N 2 0 269.392 2.885 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000582856305 325240630 /nfs/dbraw/zinc/24/06/30/325240630.db2.gz NJMSHGJLOZNBEN-SJORKVTESA-N 2 0 298.434 2.849 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000583032564 325254924 /nfs/dbraw/zinc/25/49/24/325254924.db2.gz OERZYEBHRGDJPP-JQHSSLGASA-N 2 0 290.451 2.567 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000583515677 325293666 /nfs/dbraw/zinc/29/36/66/325293666.db2.gz NTAYLYZJSUGKRO-KURKYZTESA-N 2 0 288.435 2.966 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583950593 325321146 /nfs/dbraw/zinc/32/11/46/325321146.db2.gz KCVBNWOITJUULQ-VVLHAWIVSA-N 2 0 282.472 2.900 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000584100917 325330430 /nfs/dbraw/zinc/33/04/30/325330430.db2.gz TXNFMKYTVSHSFQ-DZOHQFGASA-N 2 0 287.451 2.587 20 0 CFADRP Cc1cnc(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000584170000 325335106 /nfs/dbraw/zinc/33/51/06/325335106.db2.gz VDYWDUOASPKPCB-INIZCTEOSA-N 2 0 275.440 2.657 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CO1 ZINC000584231820 325339850 /nfs/dbraw/zinc/33/98/50/325339850.db2.gz RWQNKEXOGPZIRI-WTTBNOFXSA-N 2 0 280.456 2.797 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000584244112 325341610 /nfs/dbraw/zinc/34/16/10/325341610.db2.gz PYQSTWYQPLEFFW-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000584285650 325343494 /nfs/dbraw/zinc/34/34/94/325343494.db2.gz YDVUEVJZGBIMND-NVXWUHKLSA-N 2 0 276.424 2.733 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CCCC[NH3+])cc(N2CCCC2)n1 ZINC000423130456 533715936 /nfs/dbraw/zinc/71/59/36/533715936.db2.gz YKZGZMIXLFXJJB-AWEZNQCLSA-N 2 0 290.455 2.597 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1Br ZINC000423167327 533716569 /nfs/dbraw/zinc/71/65/69/533716569.db2.gz SCIYRSIHDDGSDA-MNOVXSKESA-N 2 0 285.229 2.973 20 0 CFADRP Nc1ccc(F)c(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001243287481 782112683 /nfs/dbraw/zinc/11/26/83/782112683.db2.gz ZIXCMJJFVYCOAB-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1ncc2c(n1)CC[NH2+]C2 ZINC001243333933 782141080 /nfs/dbraw/zinc/14/10/80/782141080.db2.gz RZYVJECCYRQMFK-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CCO[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000192922910 520301847 /nfs/dbraw/zinc/30/18/47/520301847.db2.gz MBPJEBKPAFWCJD-UYTSQGDYSA-N 2 0 268.445 2.652 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccsc2)CC1 ZINC000178694388 500689808 /nfs/dbraw/zinc/68/98/08/500689808.db2.gz CDVQOSVOLFZQRU-HUUCEWRRSA-N 2 0 295.496 2.672 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(COC)CCC2)C[C@H]1C ZINC000361324046 521719880 /nfs/dbraw/zinc/71/98/80/521719880.db2.gz LGNSIDZRPPZNQC-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423177707 533756157 /nfs/dbraw/zinc/75/61/57/533756157.db2.gz HOJKPKBLBHPMJV-IKICRFKJSA-N 2 0 288.435 2.776 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1C ZINC000422791685 533766494 /nfs/dbraw/zinc/76/64/94/533766494.db2.gz WLFJFYQKZQNGKP-JKSUJKDBSA-N 2 0 276.424 2.796 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414878612 533769543 /nfs/dbraw/zinc/76/95/43/533769543.db2.gz OKVUDCOMYNVNDP-QMMMGPOBSA-N 2 0 278.730 2.626 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1C ZINC000422791216 533769656 /nfs/dbraw/zinc/76/96/56/533769656.db2.gz VSVZROWZRBTWBG-HOTGVXAUSA-N 2 0 276.424 2.653 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423258008 533775730 /nfs/dbraw/zinc/77/57/30/533775730.db2.gz LFURZUGHAIGPKX-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414878187 533771420 /nfs/dbraw/zinc/77/14/20/533771420.db2.gz OBKSFZSLAGVDLE-AWEZNQCLSA-N 2 0 284.407 2.534 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422725909 533787270 /nfs/dbraw/zinc/78/72/70/533787270.db2.gz CMIQMVYHIPUMLS-ZOBUZTSGSA-N 2 0 289.467 2.703 20 0 CFADRP COc1cc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc(OC)c1 ZINC000414710758 533789001 /nfs/dbraw/zinc/78/90/01/533789001.db2.gz SNIRNIPSCUBRMS-KGLIPLIRSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422699581 533808490 /nfs/dbraw/zinc/80/84/90/533808490.db2.gz DRRMPAZBWDWFIO-YOEHRIQHSA-N 2 0 260.425 2.824 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(C)c1 ZINC000422699578 533808868 /nfs/dbraw/zinc/80/88/68/533808868.db2.gz DRRMPAZBWDWFIO-PBHICJAKSA-N 2 0 260.425 2.824 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC000414714198 533836270 /nfs/dbraw/zinc/83/62/70/533836270.db2.gz WKVNYRSEBCMZOD-UKRRQHHQSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422827127 533846131 /nfs/dbraw/zinc/84/61/31/533846131.db2.gz DCZUZXHUYZVTPI-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422732751 533846881 /nfs/dbraw/zinc/84/68/81/533846881.db2.gz QHIPGBBIQVRUBP-CZUORRHYSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423175503 533850972 /nfs/dbraw/zinc/85/09/72/533850972.db2.gz DSNSXYXRBIMSDA-UKRRQHHQSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000423118910 533852106 /nfs/dbraw/zinc/85/21/06/533852106.db2.gz CPBRZANFKMHKDH-IUODEOHRSA-N 2 0 284.831 2.871 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423153777 533868448 /nfs/dbraw/zinc/86/84/48/533868448.db2.gz GYMKPQSMXVAZJA-SNVBAGLBSA-N 2 0 274.767 2.575 20 0 CFADRP C[C@H]([NH2+]CCc1cc2ccccc2s1)C1C[NH2+]C1 ZINC000423135620 533871062 /nfs/dbraw/zinc/87/10/62/533871062.db2.gz OCJAVWDUSDHTQK-NSHDSACASA-N 2 0 260.406 2.641 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000422882836 533871685 /nfs/dbraw/zinc/87/16/85/533871685.db2.gz BCZSQOKEOLQBCH-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2cccc3c2CCCN3)CC[NH2+]1 ZINC000415034021 533871784 /nfs/dbraw/zinc/87/17/84/533871784.db2.gz KPQUTOQUMAMGTR-ZIAGYGMSSA-N 2 0 273.424 2.522 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422793540 533869815 /nfs/dbraw/zinc/86/98/15/533869815.db2.gz SIUVBPJWBCXKDA-OLZOCXBDSA-N 2 0 252.427 2.884 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422914604 533870127 /nfs/dbraw/zinc/87/01/27/533870127.db2.gz UYVYXMIEAWAGLN-LLVKDONJSA-N 2 0 296.365 2.691 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423166438 533884773 /nfs/dbraw/zinc/88/47/73/533884773.db2.gz ZFKIGPDVJKBJSN-QRTARXTBSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423170685 533884925 /nfs/dbraw/zinc/88/49/25/533884925.db2.gz MROOHERNBMENET-QCEMKRCNSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422728593 533893110 /nfs/dbraw/zinc/89/31/10/533893110.db2.gz AIQUQJVDSBQIQE-LTIDMASMSA-N 2 0 281.488 2.617 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000414857156 533891341 /nfs/dbraw/zinc/89/13/41/533891341.db2.gz PASMAMCSGRMMKP-GXTWGEPZSA-N 2 0 294.464 2.895 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414876683 533899562 /nfs/dbraw/zinc/89/95/62/533899562.db2.gz DTFZVCAGZZDAAB-MRVPVSSYSA-N 2 0 278.730 2.768 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414824624 533922019 /nfs/dbraw/zinc/92/20/19/533922019.db2.gz QZUHYXXEFXYXDE-WMLDXEAASA-N 2 0 288.435 2.953 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423302535 533942824 /nfs/dbraw/zinc/94/28/24/533942824.db2.gz VRGAEZBLIPXWMJ-NWDGAFQWSA-N 2 0 290.386 2.565 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423206894 533957167 /nfs/dbraw/zinc/95/71/67/533957167.db2.gz CLVNHVTXBHCHQI-IPYPFGDCSA-N 2 0 292.471 2.985 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414797959 533959910 /nfs/dbraw/zinc/95/99/10/533959910.db2.gz IRXHFOPVHCWKPI-HPRJGHKQSA-N 2 0 274.408 2.816 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(N2CCCC2)c1 ZINC000422872943 533973112 /nfs/dbraw/zinc/97/31/12/533973112.db2.gz JGFJVHXJSJUOBZ-KBPBESRZSA-N 2 0 273.424 2.545 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000422809552 533973835 /nfs/dbraw/zinc/97/38/35/533973835.db2.gz SBWUWBSTYXHTSM-UWVGGRQHSA-N 2 0 270.323 2.547 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[C@H](C)[NH3+] ZINC000423222392 533981860 /nfs/dbraw/zinc/98/18/60/533981860.db2.gz ATVYSAVJIYKIIJ-WDEREUQCSA-N 2 0 256.340 2.613 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422773313 533987041 /nfs/dbraw/zinc/98/70/41/533987041.db2.gz YFSXUORXTVVQOS-JLJPHGGASA-N 2 0 258.409 2.595 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422852677 533998972 /nfs/dbraw/zinc/99/89/72/533998972.db2.gz QZQIEIRROYXTNE-GOEBONIOSA-N 2 0 288.435 2.705 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000425344003 534004933 /nfs/dbraw/zinc/00/49/33/534004933.db2.gz INORYCUZJIIHOD-UPJWGTAASA-N 2 0 258.475 2.836 20 0 CFADRP C[C@H](C[N@H+](C)C1CC([NH3+])C1)c1cccc(Br)c1 ZINC000414782163 534020982 /nfs/dbraw/zinc/02/09/82/534020982.db2.gz XDLZWZOQGGDEIU-GWMXKSKGSA-N 2 0 297.240 2.974 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414872944 534048305 /nfs/dbraw/zinc/04/83/05/534048305.db2.gz GSPBMKKSRUXPOO-ZCFIWIBFSA-N 2 0 297.649 2.848 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414874052 534048645 /nfs/dbraw/zinc/04/86/45/534048645.db2.gz HXISQMOWSSVWCA-MRVPVSSYSA-N 2 0 264.266 2.529 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1cccc(Cl)c1 ZINC000422919954 534054817 /nfs/dbraw/zinc/05/48/17/534054817.db2.gz LEJCGNFSVFBFGQ-YXQSOJMXSA-N 2 0 294.826 2.980 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccc(F)cc1 ZINC000422781560 534054860 /nfs/dbraw/zinc/05/48/60/534054860.db2.gz FHXNGNLZHMHEAP-OPFPJEHXSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Cl)c1 ZINC000414892455 534058612 /nfs/dbraw/zinc/05/86/12/534058612.db2.gz PWRMTSUPNYZDIQ-IINYFYTJSA-N 2 0 252.789 2.770 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746214 534070181 /nfs/dbraw/zinc/07/01/81/534070181.db2.gz WEGKUODUEFUIQF-OLZOCXBDSA-N 2 0 295.496 2.961 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422909437 534072458 /nfs/dbraw/zinc/07/24/58/534072458.db2.gz OAFAHZCIWZOELB-CZUORRHYSA-N 2 0 264.388 2.736 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018400 534104481 /nfs/dbraw/zinc/10/44/81/534104481.db2.gz BPQNEUQQOFMCNH-BZUAXINKSA-N 2 0 290.451 2.981 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422870475 534148055 /nfs/dbraw/zinc/14/80/55/534148055.db2.gz BWCOYRBDUFHSBZ-OCCSQVGLSA-N 2 0 264.438 2.934 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422857150 534161013 /nfs/dbraw/zinc/16/10/13/534161013.db2.gz HBKNIRXZKJMSCW-VSZNYVQBSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423033107 534165908 /nfs/dbraw/zinc/16/59/08/534165908.db2.gz WPXUACMUCMTXIM-NVXWUHKLSA-N 2 0 275.440 2.986 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC(F)(F)F ZINC000422959877 534175895 /nfs/dbraw/zinc/17/58/95/534175895.db2.gz AFTYQAMCIKZQMY-WCQYABFASA-N 2 0 274.330 2.877 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000422838456 534176976 /nfs/dbraw/zinc/17/69/76/534176976.db2.gz OLKBJZZWNSRUSL-CVYDXHPNSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422862390 534200820 /nfs/dbraw/zinc/20/08/20/534200820.db2.gz NSBYEWWFLQXWHN-IKGGRYGDSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423119549 534201476 /nfs/dbraw/zinc/20/14/76/534201476.db2.gz DUXRHCGGTDKKBM-NXOAAHMSSA-N 2 0 282.472 2.686 20 0 CFADRP Brc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000086700831 518224048 /nfs/dbraw/zinc/22/40/48/518224048.db2.gz OHSKIAMEZKQQAC-UHFFFAOYSA-N 2 0 283.213 2.538 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCCS1 ZINC000158078329 518397464 /nfs/dbraw/zinc/39/74/64/518397464.db2.gz URLHEDHPYTVXJX-APIJFGDWSA-N 2 0 268.470 2.782 20 0 CFADRP FC(F)(F)Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414903738 534406087 /nfs/dbraw/zinc/40/60/87/534406087.db2.gz KNJRJLVLCCMAEU-GFCCVEGCSA-N 2 0 288.313 2.817 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423105623 534424046 /nfs/dbraw/zinc/42/40/46/534424046.db2.gz ZAGGAQGIEVRZBP-REWJHTLYSA-N 2 0 272.383 2.932 20 0 CFADRP Fc1c(Cl)cccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843277 534438027 /nfs/dbraw/zinc/43/80/27/534438027.db2.gz CDUZMHWNLCWZME-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000224588955 519617447 /nfs/dbraw/zinc/61/74/47/519617447.db2.gz YSTOOHSDNMEWAS-ZNMIVQPWSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCOCC2)c1 ZINC000174312933 519629734 /nfs/dbraw/zinc/62/97/34/519629734.db2.gz WTJLOVPDGRUNSX-UHFFFAOYSA-N 2 0 276.424 2.795 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000302571241 519672524 /nfs/dbraw/zinc/67/25/24/519672524.db2.gz PGFGKJXWEMQMKK-CYBMUJFWSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000245543332 519676985 /nfs/dbraw/zinc/67/69/85/519676985.db2.gz QRALMYYWSDYERX-CABCVRRESA-N 2 0 261.413 2.853 20 0 CFADRP Fc1cc(-c2ccncc2)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414834259 534439410 /nfs/dbraw/zinc/43/94/10/534439410.db2.gz QNCWXPJKDAOECF-CQSZACIVSA-N 2 0 299.393 2.977 20 0 CFADRP CC(C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380891 519727740 /nfs/dbraw/zinc/72/77/40/519727740.db2.gz QQDMYUKYJBROOD-GASCZTMLSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380894 519727803 /nfs/dbraw/zinc/72/78/03/519727803.db2.gz QQDMYUKYJBROOD-HUUCEWRRSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCO1 ZINC000225588588 519805726 /nfs/dbraw/zinc/80/57/26/519805726.db2.gz KBUCPSNWTPIZNK-CABCVRRESA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000222022588 519816108 /nfs/dbraw/zinc/81/61/08/519816108.db2.gz ODYJOOGDDXABCC-OWSLCNJRSA-N 2 0 295.515 2.673 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092746207 519843104 /nfs/dbraw/zinc/84/31/04/519843104.db2.gz BURFYUDFBGMYKD-AWEZNQCLSA-N 2 0 261.413 2.854 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305372320 519887122 /nfs/dbraw/zinc/88/71/22/519887122.db2.gz XYKHXSKWBTVBIC-LSDHHAIUSA-N 2 0 268.445 2.534 20 0 CFADRP Fc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422901570 534462683 /nfs/dbraw/zinc/46/26/83/534462683.db2.gz SDQKGGVOEKIGKW-XYPWUTKMSA-N 2 0 274.383 2.730 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976927 534463000 /nfs/dbraw/zinc/46/30/00/534463000.db2.gz QTGDOQORSKZCNW-INIZCTEOSA-N 2 0 284.407 2.699 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414848204 534465300 /nfs/dbraw/zinc/46/53/00/534465300.db2.gz KIAYBMGDTVGSLX-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423423927 534499015 /nfs/dbraw/zinc/49/90/15/534499015.db2.gz CDLVQNNNZDMLBA-YESZJQIVSA-N 2 0 274.383 2.791 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccncn2)cc1 ZINC000423283980 534500434 /nfs/dbraw/zinc/50/04/34/534500434.db2.gz XVKNTCKAKYWMIP-YJBOKZPZSA-N 2 0 296.418 2.545 20 0 CFADRP CC1(C)Cc2cc(C[NH+]3CCC(C[NH3+])CC3)ccc2O1 ZINC000336528702 520580372 /nfs/dbraw/zinc/58/03/72/520580372.db2.gz NMYAJQQQMBCUTG-UHFFFAOYSA-N 2 0 274.408 2.571 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328469886 520608642 /nfs/dbraw/zinc/60/86/42/520608642.db2.gz ZDKYSRLGBBHXGE-SJORKVTESA-N 2 0 288.435 2.666 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000166699210 520627602 /nfs/dbraw/zinc/62/76/02/520627602.db2.gz KJJVBSWDUCRTOK-CVEARBPZSA-N 2 0 296.455 2.526 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671512 521006748 /nfs/dbraw/zinc/00/67/48/521006748.db2.gz ARHSSRNBSCHNSS-BBWFWOEESA-N 2 0 294.483 2.902 20 0 CFADRP CC1CC[NH+](CCN2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000153901571 521008594 /nfs/dbraw/zinc/00/85/94/521008594.db2.gz WGVCHEMYIIEFGB-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000162842382 521024908 /nfs/dbraw/zinc/02/49/08/521024908.db2.gz ASUNIVRTUQPCBO-FUHWJXTLSA-N 2 0 289.467 2.833 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc(F)cc2C)CC1 ZINC000050577249 521579611 /nfs/dbraw/zinc/57/96/11/521579611.db2.gz WELKHGMGSJOCIZ-UHFFFAOYSA-N 2 0 250.361 2.708 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000132305559 521618309 /nfs/dbraw/zinc/61/83/09/521618309.db2.gz UQGSQVFLTCLFGW-OIISXLGYSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000236932691 521642922 /nfs/dbraw/zinc/64/29/22/521642922.db2.gz DIVOVZILGDDUAW-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC000361544548 521691814 /nfs/dbraw/zinc/69/18/14/521691814.db2.gz VQMBCJJLZSLKSM-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000155712688 521692230 /nfs/dbraw/zinc/69/22/30/521692230.db2.gz GTVNJKMGYAHAGV-LSDHHAIUSA-N 2 0 293.430 2.502 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000155712805 521694834 /nfs/dbraw/zinc/69/48/34/521694834.db2.gz GTVNJKMGYAHAGV-HUUCEWRRSA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(SC)s2)C1 ZINC000340042042 521710887 /nfs/dbraw/zinc/71/08/87/521710887.db2.gz ZZIKJMWOUXGWGV-NSHDSACASA-N 2 0 270.467 2.901 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)C1 ZINC000037644141 521717782 /nfs/dbraw/zinc/71/77/82/521717782.db2.gz GPTUJDDBQOOCGW-UONOGXRCSA-N 2 0 292.423 2.696 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(OC)CCCC2)[C@@H](C)C1 ZINC000361550296 521719421 /nfs/dbraw/zinc/71/94/21/521719421.db2.gz RMHVGQVOCGWEPI-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(OC)CCCC2)C[C@@H]1C ZINC000361563509 521719494 /nfs/dbraw/zinc/71/94/94/521719494.db2.gz GJUGQXFSNFUXIQ-GJZGRUSLSA-N 2 0 268.445 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCC(C)C)C[C@H]1C ZINC000360676509 521719927 /nfs/dbraw/zinc/71/99/27/521719927.db2.gz PCLJTCICIPMBDB-PMPSAXMXSA-N 2 0 270.461 2.588 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246524757 521721097 /nfs/dbraw/zinc/72/10/97/521721097.db2.gz UYCHSKIIGSUVFY-LRDDRELGSA-N 2 0 298.377 2.664 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309901247 521796165 /nfs/dbraw/zinc/79/61/65/521796165.db2.gz OXZTUMZRQOCZJU-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000414899357 534605263 /nfs/dbraw/zinc/60/52/63/534605263.db2.gz FQMYIBYLGRBAIC-UHFFFAOYSA-N 2 0 273.355 2.716 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000414897161 534605860 /nfs/dbraw/zinc/60/58/60/534605860.db2.gz BAQHFPSTVGSNSG-UHFFFAOYSA-N 2 0 253.198 2.883 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423316512 534607207 /nfs/dbraw/zinc/60/72/07/534607207.db2.gz BSVKECTYRWORPG-OAHLLOKOSA-N 2 0 266.816 2.990 20 0 CFADRP [NH3+]CCCOC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000414660153 534617187 /nfs/dbraw/zinc/61/71/87/534617187.db2.gz MLYVXIQZVLEBAE-WMZOPIPTSA-N 2 0 288.435 2.620 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000234750393 522288912 /nfs/dbraw/zinc/28/89/12/522288912.db2.gz RCTPOHHXQFZILA-BXUZGUMPSA-N 2 0 270.804 2.745 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc2ccccc21 ZINC000234731897 522288971 /nfs/dbraw/zinc/28/89/71/522288971.db2.gz HQCKDMZHMHDJQG-MRXNPFEDSA-N 2 0 272.392 2.683 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000234745843 522289411 /nfs/dbraw/zinc/28/94/11/522289411.db2.gz YFMNSVUSKRKVJP-TZMCWYRMSA-N 2 0 280.437 2.567 20 0 CFADRP COc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C ZINC000192892502 522334913 /nfs/dbraw/zinc/33/49/13/522334913.db2.gz DBYQRPMEWSAUKX-ALOPSCKCSA-N 2 0 288.435 2.761 20 0 CFADRP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1O ZINC000088164091 522445842 /nfs/dbraw/zinc/44/58/42/522445842.db2.gz QPFMOLXKDGXACX-GOOCMWNKSA-N 2 0 290.407 2.506 20 0 CFADRP COC1(CC[NH+]2CCC(CC[NH+](C)C)CC2)CCC1 ZINC000338927069 522589307 /nfs/dbraw/zinc/58/93/07/522589307.db2.gz SWTIQMUKCVWEJU-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000163598432 522592664 /nfs/dbraw/zinc/59/26/64/522592664.db2.gz KJRUCENRIBUFGB-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP COC1(C[NH2+]CC(C)(C)C[NH+](C)C)CCCCC1 ZINC000319096248 522627911 /nfs/dbraw/zinc/62/79/11/522627911.db2.gz VRMHZLNCXQGLRC-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000234702874 522668979 /nfs/dbraw/zinc/66/89/79/522668979.db2.gz YFMNSVUSKRKVJP-JSGCOSHPSA-N 2 0 280.437 2.567 20 0 CFADRP C[N@H+](CCCCOc1ccccc1)CC(C)(C)C[NH3+] ZINC000339406347 522736919 /nfs/dbraw/zinc/73/69/19/522736919.db2.gz GOXIUPVOZJJKME-UHFFFAOYSA-N 2 0 264.413 2.762 20 0 CFADRP CC[C@H](O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305198597 522801555 /nfs/dbraw/zinc/80/15/55/522801555.db2.gz ZVIPOAYKTXZUQQ-INIZCTEOSA-N 2 0 268.445 2.534 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000166050144 522823735 /nfs/dbraw/zinc/82/37/35/522823735.db2.gz WKBLPSGBJBZVKK-OAHLLOKOSA-N 2 0 279.403 2.993 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422939977 534665229 /nfs/dbraw/zinc/66/52/29/534665229.db2.gz MOPALXDREUPXKI-NVXWUHKLSA-N 2 0 260.425 2.953 20 0 CFADRP C[N@@H+](CCc1ccc(F)cc1)CCC1CC[NH2+]CC1 ZINC000259034900 522942949 /nfs/dbraw/zinc/94/29/49/522942949.db2.gz OZONFQSSIQOEQW-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000192957771 523060503 /nfs/dbraw/zinc/06/05/03/523060503.db2.gz HIMHRMFEBWKRGF-MQVJKMGUSA-N 2 0 280.456 2.798 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000422906017 534710788 /nfs/dbraw/zinc/71/07/88/534710788.db2.gz TYUQECWBXNFCDM-WCXIOVBPSA-N 2 0 274.408 2.624 20 0 CFADRP CCn1nccc1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000366105779 523712004 /nfs/dbraw/zinc/71/20/04/523712004.db2.gz VXVOHXXCPQPXOJ-MRXNPFEDSA-N 2 0 290.455 2.567 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000164514099 523760239 /nfs/dbraw/zinc/76/02/39/523760239.db2.gz ZCZCTCVQEXVYKG-XHSDSOJGSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371199530 523819666 /nfs/dbraw/zinc/81/96/66/523819666.db2.gz UEAQRNAXEFMLKY-ZWKOTPCHSA-N 2 0 293.499 2.669 20 0 CFADRP CCc1cc(OC)ccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261968435 523835123 /nfs/dbraw/zinc/83/51/23/523835123.db2.gz QAUUKRRFLHHCDX-ZDUSSCGKSA-N 2 0 276.424 2.817 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309741752 523890707 /nfs/dbraw/zinc/89/07/07/523890707.db2.gz SDRWVDSUWRSRGT-JFIYKMOQSA-N 2 0 290.451 2.912 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049554019 523984088 /nfs/dbraw/zinc/98/40/88/523984088.db2.gz CMUHRMJRWRJVTF-GJZGRUSLSA-N 2 0 278.440 2.946 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(C)n1 ZINC000423290029 534750853 /nfs/dbraw/zinc/75/08/53/534750853.db2.gz CALLYVGKXPAOHY-NEPJUHHUSA-N 2 0 284.407 2.964 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000310017751 524137691 /nfs/dbraw/zinc/13/76/91/524137691.db2.gz PEHVLFWJOJTRHK-RYRKJORJSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000308983660 524141091 /nfs/dbraw/zinc/14/10/91/524141091.db2.gz FWIJNHSIIRIGID-SNVBAGLBSA-N 2 0 271.202 2.666 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(O)CCC3)CC2)C1 ZINC000305121540 524145404 /nfs/dbraw/zinc/14/54/04/524145404.db2.gz JROKMLSZQKKVQP-GOEBONIOSA-N 2 0 280.456 2.534 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000340712692 524148148 /nfs/dbraw/zinc/14/81/48/524148148.db2.gz QPEJDCWCNDTTQH-MAUKXSAKSA-N 2 0 290.451 2.805 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000166062972 524215894 /nfs/dbraw/zinc/21/58/94/524215894.db2.gz UVLYJKSNBKUSMZ-OAHLLOKOSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000261985103 524361710 /nfs/dbraw/zinc/36/17/10/524361710.db2.gz RVDCBGNHXHWCTC-UOJCXKCYSA-N 2 0 276.399 2.988 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000335026837 524433945 /nfs/dbraw/zinc/43/39/45/524433945.db2.gz BHXVEJOOADTMBQ-MEDUHNTESA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310032156 524453940 /nfs/dbraw/zinc/45/39/40/524453940.db2.gz YEEPHJHQLHWCHU-FUHWJXTLSA-N 3 0 289.467 2.616 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000157597969 524552218 /nfs/dbraw/zinc/55/22/18/524552218.db2.gz FIYMYDLKGYFUSI-ULQDDVLXSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000151546311 524557065 /nfs/dbraw/zinc/55/70/65/524557065.db2.gz SOIHDKUQBCFUBS-GJZGRUSLSA-N 2 0 298.471 2.818 20 0 CFADRP Cc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000227330061 524573121 /nfs/dbraw/zinc/57/31/21/524573121.db2.gz IOPNJZQWYGPEDH-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000168321823 524691506 /nfs/dbraw/zinc/69/15/06/524691506.db2.gz OWYIXZTVCZNETI-TZMCWYRMSA-N 2 0 266.816 2.860 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c2ccccc2n1 ZINC000168644028 524706365 /nfs/dbraw/zinc/70/63/65/524706365.db2.gz RXIVWOMLPOMSKZ-KGLIPLIRSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc2cccnc12 ZINC000334839928 524716003 /nfs/dbraw/zinc/71/60/03/524716003.db2.gz UFQUSVQVCALSTK-ZFWWWQNUSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1Br ZINC000220515448 524774327 /nfs/dbraw/zinc/77/43/27/524774327.db2.gz GQQOGMHTFCADIT-SNVBAGLBSA-N 2 0 271.202 2.584 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1C ZINC000156331911 524807360 /nfs/dbraw/zinc/80/73/60/524807360.db2.gz SXUXEYOHMJRQFS-BBRMVZONSA-N 2 0 284.407 2.649 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000158209290 524896850 /nfs/dbraw/zinc/89/68/50/524896850.db2.gz NNHFOCNNJFZNEY-DOMZBBRYSA-N 2 0 258.365 2.863 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000216057281 524897499 /nfs/dbraw/zinc/89/74/99/524897499.db2.gz HQGZBHDOZGCISW-CMPLNLGQSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000230677006 524928724 /nfs/dbraw/zinc/92/87/24/524928724.db2.gz JJJBFWVJYSMSKR-SWLSCSKDSA-N 2 0 257.381 2.740 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000066497963 524937398 /nfs/dbraw/zinc/93/73/98/524937398.db2.gz RRNMFSSDKFNECE-JZXOWHBKSA-N 2 0 292.467 2.916 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339414952 525012644 /nfs/dbraw/zinc/01/26/44/525012644.db2.gz JXVZLGFQUBURKJ-RHSMWYFYSA-N 2 0 288.435 2.613 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000361619384 525028408 /nfs/dbraw/zinc/02/84/08/525028408.db2.gz FSVHXEWBBNDUSG-CYBMUJFWSA-N 2 0 289.423 2.944 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2)CC[NH2+]1 ZINC000334861325 525267308 /nfs/dbraw/zinc/26/73/08/525267308.db2.gz AUCPUQAXTZWTFB-MFKMUULPSA-N 2 0 283.213 2.679 20 0 CFADRP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2[nH+]1 ZINC000316716327 525276835 /nfs/dbraw/zinc/27/68/35/525276835.db2.gz DUWOLYQHQOMLJN-CABCVRRESA-N 2 0 297.402 2.818 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340711063 525286260 /nfs/dbraw/zinc/28/62/60/525286260.db2.gz LUVFUWYGVBFQGA-QGZVFWFLSA-N 2 0 276.424 2.695 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000361731145 525323249 /nfs/dbraw/zinc/32/32/49/525323249.db2.gz FRIWOLNLOCQXLK-OAGGEKHMSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092049 525391565 /nfs/dbraw/zinc/39/15/65/525391565.db2.gz NFRHYVZAFBLLRH-DLTWYDFYSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCOc1ccccc1 ZINC000339409406 525409423 /nfs/dbraw/zinc/40/94/23/525409423.db2.gz MEMFSZXTGRCMJT-HUUCEWRRSA-N 2 0 262.397 2.515 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000313926434 525411496 /nfs/dbraw/zinc/41/14/96/525411496.db2.gz XIKJSIIUCVCABR-CGTJXYLNSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195133862 525483109 /nfs/dbraw/zinc/48/31/09/525483109.db2.gz CZIMCVOFHHFOEZ-WBVHZDCISA-N 2 0 298.434 2.593 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261922390 525831017 /nfs/dbraw/zinc/83/10/17/525831017.db2.gz BVDZFNVHIFRLBN-DOTOQJQBSA-N 2 0 276.399 2.690 20 0 CFADRP Cc1c[nH+]ccc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000195333463 526241927 /nfs/dbraw/zinc/24/19/27/526241927.db2.gz VHHVQXIPTGSRBF-UHFFFAOYSA-N 2 0 289.423 2.837 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CCSC1 ZINC000300271256 526248837 /nfs/dbraw/zinc/24/88/37/526248837.db2.gz JIOJORFHYSAWJK-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP c1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)nc1 ZINC000367712697 526461562 /nfs/dbraw/zinc/46/15/62/526461562.db2.gz MLNYFIKSWLDNJF-JKSUJKDBSA-N 2 0 285.435 2.720 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246374154 526576332 /nfs/dbraw/zinc/57/63/32/526576332.db2.gz JPPGDAPXEAGVDD-NWJSVONSSA-N 2 0 279.428 2.713 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422750918 526684271 /nfs/dbraw/zinc/68/42/71/526684271.db2.gz APNNKEOQODIZHE-LJISPDSOSA-N 2 0 268.445 2.545 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)s1 ZINC000049538753 526744643 /nfs/dbraw/zinc/74/46/43/526744643.db2.gz DEKUKOQIVLESLL-SNVBAGLBSA-N 2 0 267.442 2.800 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414812461 526984658 /nfs/dbraw/zinc/98/46/58/526984658.db2.gz RIMHITYCDIYYBZ-ZDUSSCGKSA-N 2 0 297.402 2.955 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423432405 527026843 /nfs/dbraw/zinc/02/68/43/527026843.db2.gz MHMCZRBZEUXXMS-CHWSQXEVSA-N 2 0 277.412 2.813 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCCC[NH+](C)C)c(C)s1 ZINC000045663765 527030859 /nfs/dbraw/zinc/03/08/59/527030859.db2.gz OGXABPZHDPVAIU-SNVBAGLBSA-N 2 0 255.431 2.752 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423467035 527083903 /nfs/dbraw/zinc/08/39/03/527083903.db2.gz AYXVXHHYSRETFI-XJKSGUPXSA-N 2 0 289.423 2.828 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)cc(F)c1 ZINC000334835758 527145286 /nfs/dbraw/zinc/14/52/86/527145286.db2.gz ADHQAJCOJOMCQA-MPLXBHQASA-N 2 0 266.335 2.570 20 0 CFADRP Cn1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C(C)(C)C)n1 ZINC000227327108 527214803 /nfs/dbraw/zinc/21/48/03/527214803.db2.gz DZDGYQRPSKTHQF-UHFFFAOYSA-N 2 0 292.471 2.539 20 0 CFADRP CC(C)([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423287194 527259606 /nfs/dbraw/zinc/25/96/06/527259606.db2.gz KTWBBIJGFIWZEY-BJWYYQGGSA-N 2 0 287.451 2.509 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@@H]21 ZINC000230045256 527353526 /nfs/dbraw/zinc/35/35/26/527353526.db2.gz YCAZQHALJGUTMC-XOKHGSTOSA-N 2 0 292.398 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCOc3ccccc3)C[C@@H]21 ZINC000339413688 527360558 /nfs/dbraw/zinc/36/05/58/527360558.db2.gz ZFCOHNXIBNBKFH-RYQLBKOJSA-N 2 0 288.435 2.905 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOc3ccccc3)C[C@@H]21 ZINC000230046641 527360572 /nfs/dbraw/zinc/36/05/72/527360572.db2.gz SQRIHMIMEUEDBP-BHYGNILZSA-N 2 0 274.408 2.515 20 0 CFADRP OC1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CCCC1 ZINC000336842064 527506443 /nfs/dbraw/zinc/50/64/43/527506443.db2.gz QUZQONUIGQVTPK-UHFFFAOYSA-N 2 0 294.483 2.880 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000361896872 527592342 /nfs/dbraw/zinc/59/23/42/527592342.db2.gz NGGBFZPVSNUCGN-UHFFFAOYSA-N 2 0 278.444 2.594 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]([NH3+])C2CC2)CC1 ZINC000423311564 527646601 /nfs/dbraw/zinc/64/66/01/527646601.db2.gz BZQWYQDWWJAOAA-MRXNPFEDSA-N 2 0 295.515 2.993 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCC[NH3+])CC1 ZINC000423193933 527647502 /nfs/dbraw/zinc/64/75/02/527647502.db2.gz RBWXDJUTUPFPNV-UHFFFAOYSA-N 2 0 269.477 2.604 20 0 CFADRP CC(C)(C)CCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422720913 527660837 /nfs/dbraw/zinc/66/08/37/527660837.db2.gz UDODGMBWTCKRLP-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CO1 ZINC000417889850 527741301 /nfs/dbraw/zinc/74/13/01/527741301.db2.gz JWMLMYUMPABPRH-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423099883 527766024 /nfs/dbraw/zinc/76/60/24/527766024.db2.gz UNLKFVKNNYZFTG-NUEKZKHPSA-N 2 0 268.445 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000414079581 527814705 /nfs/dbraw/zinc/81/47/05/527814705.db2.gz TTWAFJPZHZAYQM-HUUCEWRRSA-N 2 0 276.424 2.996 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC000422799904 527845201 /nfs/dbraw/zinc/84/52/01/527845201.db2.gz AGZVVSDCNNNARG-QKPAOTATSA-N 2 0 280.456 2.844 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)C[C@H]1OCc1ccccc1 ZINC000423315018 527867186 /nfs/dbraw/zinc/86/71/86/527867186.db2.gz AEIFMQMXWYDKGR-HZPDHXFCSA-N 2 0 288.435 2.841 20 0 CFADRP CC(C)[C@H]1C[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423155490 527867241 /nfs/dbraw/zinc/86/72/41/527867241.db2.gz QMLAODZYXRTOPJ-BHDPWAOGSA-N 2 0 268.445 2.545 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCCCCC2)[C@H]2CCCO[C@H]21 ZINC000423206901 527867443 /nfs/dbraw/zinc/86/74/43/527867443.db2.gz XECVOMRGOTWUKP-RBSFLKMASA-N 2 0 280.456 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCC2 ZINC000423206951 527936856 /nfs/dbraw/zinc/93/68/56/527936856.db2.gz XIVYWIASSDPZBU-LSDHHAIUSA-N 2 0 280.456 2.975 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C1(CC)CC ZINC000423510727 527949853 /nfs/dbraw/zinc/94/98/53/527949853.db2.gz PRSPZSXUQGRJJN-LJISPDSOSA-N 2 0 268.445 2.687 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)C12CCCC2 ZINC000422813515 527952818 /nfs/dbraw/zinc/95/28/18/527952818.db2.gz ZKHUPVXQHFFWOP-YHUYYLMFSA-N 2 0 280.456 2.702 20 0 CFADRP CC1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC[NH2+]CC1 ZINC000423332996 527986406 /nfs/dbraw/zinc/98/64/06/527986406.db2.gz PQHDLBAEWVQRJZ-OAHLLOKOSA-N 2 0 250.430 2.935 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423132711 527990292 /nfs/dbraw/zinc/99/02/92/527990292.db2.gz CAANOILTJGIOTM-ZIAGYGMSSA-N 2 0 292.471 2.620 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000422806601 528050102 /nfs/dbraw/zinc/05/01/02/528050102.db2.gz ILXJRVUTFSOTIK-BPQIPLTHSA-N 2 0 292.467 2.986 20 0 CFADRP CCO[C@H](C[NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000423088713 528056964 /nfs/dbraw/zinc/05/69/64/528056964.db2.gz QUQDWMULQDFVLO-GDBMZVCRSA-N 2 0 264.413 2.871 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425364703 528058321 /nfs/dbraw/zinc/05/83/21/528058321.db2.gz ZQVHNJMLWOAKEF-KGLIPLIRSA-N 2 0 258.475 2.982 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423106321 528061408 /nfs/dbraw/zinc/06/14/08/528061408.db2.gz RHLVKAYJDLYDCU-PXZKZTPFSA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000423170257 528085921 /nfs/dbraw/zinc/08/59/21/528085921.db2.gz XQGLUXPCSGCSIC-FPCVCCKLSA-N 2 0 268.445 2.843 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000414872412 528112926 /nfs/dbraw/zinc/11/29/26/528112926.db2.gz FZCJXPCDQPABGF-KBPBESRZSA-N 2 0 291.439 2.712 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422939721 528123728 /nfs/dbraw/zinc/12/37/28/528123728.db2.gz IGGQUFVJPIZEEN-JKSUJKDBSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422939719 528124105 /nfs/dbraw/zinc/12/41/05/528124105.db2.gz IGGQUFVJPIZEEN-HOTGVXAUSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)c1ccc(O[C@@H](C)C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423099488 528125552 /nfs/dbraw/zinc/12/55/52/528125552.db2.gz AQFNJUGYUCZTBX-KBPBESRZSA-N 2 0 276.424 2.775 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000422768504 528131709 /nfs/dbraw/zinc/13/17/09/528131709.db2.gz NZMITWBPLWLWOS-LJISPDSOSA-N 2 0 268.445 2.543 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000422769784 528131826 /nfs/dbraw/zinc/13/18/26/528131826.db2.gz PPAAGIIBGYEHAV-LVQVYYBASA-N 2 0 282.472 2.804 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000422800418 528140458 /nfs/dbraw/zinc/14/04/58/528140458.db2.gz BOUXSOWAFGTHMX-YKUJZXIWSA-N 2 0 278.440 2.597 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCC2)C12CCCCC2 ZINC000423315530 528141428 /nfs/dbraw/zinc/14/14/28/528141428.db2.gz AXAYNPGNEYJTSX-KBPBESRZSA-N 2 0 266.429 2.585 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423250795 528144365 /nfs/dbraw/zinc/14/43/65/528144365.db2.gz VLJLPPHONZFQEB-OLMNPRSZSA-N 2 0 289.467 2.930 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414803368 528154688 /nfs/dbraw/zinc/15/46/88/528154688.db2.gz WPVOVGBEPKFYPY-NVXWUHKLSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414817761 528160847 /nfs/dbraw/zinc/16/08/47/528160847.db2.gz SYWUCQVLANBKSK-XYPWUTKMSA-N 2 0 274.408 2.846 20 0 CFADRP CC(C)COc1cccc(C[NH2+]CC[C@@H](C)[NH3+])c1 ZINC000414820218 528171973 /nfs/dbraw/zinc/17/19/73/528171973.db2.gz JGBZOOFAFHBOFY-CYBMUJFWSA-N 2 0 250.386 2.548 20 0 CFADRP CCOc1c(Cl)cc(C[NH2+][C@H](C)CC[NH3+])cc1OC ZINC000414884966 528173320 /nfs/dbraw/zinc/17/33/20/528173320.db2.gz OSPXEDLZHHXODS-SNVBAGLBSA-N 2 0 286.803 2.574 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000422840411 528173274 /nfs/dbraw/zinc/17/32/74/528173274.db2.gz SUJQNTQQKOWGBH-YESZJQIVSA-N 3 0 283.504 2.994 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)COC)c1 ZINC000173954780 528194936 /nfs/dbraw/zinc/19/49/36/528194936.db2.gz JBDHWVADVDBCLD-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414937026 528226755 /nfs/dbraw/zinc/22/67/55/528226755.db2.gz ZQQALQLVHJFRKF-LSDHHAIUSA-N 2 0 262.397 2.833 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414858328 528226875 /nfs/dbraw/zinc/22/68/75/528226875.db2.gz RKKUILNPPWXBJJ-GDBMZVCRSA-N 2 0 276.424 2.952 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423114311 528236722 /nfs/dbraw/zinc/23/67/22/528236722.db2.gz VDUNKDDFCGSZMK-XWTMOSNGSA-N 2 0 293.499 2.761 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000417348960 528239410 /nfs/dbraw/zinc/23/94/10/528239410.db2.gz ZIUBBABIGHBVGI-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP CCOc1cc(C[NH+]2CCC(C[NH2+]C)CC2)ccc1OC ZINC000347213239 528263032 /nfs/dbraw/zinc/26/30/32/528263032.db2.gz PHYZMRFFWNFCHI-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423089395 528267904 /nfs/dbraw/zinc/26/79/04/528267904.db2.gz VETGRFUCKBUPEL-OAGGEKHMSA-N 2 0 269.477 2.617 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422896774 528273204 /nfs/dbraw/zinc/27/32/04/528273204.db2.gz AYKBVCVFFOLDJQ-MNOVXSKESA-N 2 0 255.431 2.524 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1 ZINC000422896547 528274121 /nfs/dbraw/zinc/27/41/21/528274121.db2.gz AJQMNCOAAIMNHI-JSGCOSHPSA-N 2 0 281.469 2.916 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000422862774 528281064 /nfs/dbraw/zinc/28/10/64/528281064.db2.gz OCQUNKSCOHYDKX-NUEKZKHPSA-N 2 0 295.496 2.719 20 0 CFADRP CCCC[N@H+](C)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422719845 528347287 /nfs/dbraw/zinc/34/72/87/528347287.db2.gz YMVUDZSTQGVNEJ-JKSUJKDBSA-N 2 0 269.477 2.619 20 0 CFADRP CC(C)c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000414852477 528351606 /nfs/dbraw/zinc/35/16/06/528351606.db2.gz QBNKHKFQLQMJBA-GFCCVEGCSA-N 2 0 267.442 2.746 20 0 CFADRP CCOc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OCC ZINC000422764072 528425074 /nfs/dbraw/zinc/42/50/74/528425074.db2.gz PJWGICJQZZIQCI-KBPBESRZSA-N 2 0 294.439 2.742 20 0 CFADRP CCN(CCC[NH2+][C@@H](C)CCC[NH3+])c1ccccc1 ZINC000422792274 528458484 /nfs/dbraw/zinc/45/84/84/528458484.db2.gz VZXBSZPXCUSJDE-HNNXBMFYSA-N 2 0 263.429 2.620 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000422866029 528463016 /nfs/dbraw/zinc/46/30/16/528463016.db2.gz ZYDDDFJEYFVTAI-SWLSCSKDSA-N 2 0 280.387 2.702 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1c[nH+]ccc1N ZINC000422741150 528471169 /nfs/dbraw/zinc/47/11/69/528471169.db2.gz OHESKHZCOBACEO-GJZGRUSLSA-N 2 0 290.455 2.799 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422808862 528498081 /nfs/dbraw/zinc/49/80/81/528498081.db2.gz OYLANEZSWGIRDH-NJAFHUGGSA-N 2 0 292.467 2.579 20 0 CFADRP CCN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1C ZINC000422873682 528508137 /nfs/dbraw/zinc/50/81/37/528508137.db2.gz BAHHWBDUUMXZQN-SJPCQFCGSA-N 2 0 287.451 2.694 20 0 CFADRP CCC[NH2+]CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423307721 528509439 /nfs/dbraw/zinc/50/94/39/528509439.db2.gz HSLZKTZNRWMWJD-UHFFFAOYSA-N 2 0 268.445 2.846 20 0 CFADRP CCN(CC[NH2+][C@@H](C)CCC[NH3+])c1ccccc1C ZINC000422878016 528512625 /nfs/dbraw/zinc/51/26/25/528512625.db2.gz IRBVBBNZJPTBNU-HNNXBMFYSA-N 2 0 263.429 2.538 20 0 CFADRP CCN(CC[NH2+][C@@H](C)CCCC[NH3+])c1cccc(C)c1 ZINC000422774309 528513151 /nfs/dbraw/zinc/51/31/51/528513151.db2.gz WNWIKMCGDZEILK-INIZCTEOSA-N 2 0 277.456 2.928 20 0 CFADRP CCN(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c1cccc(C)c1 ZINC000422762540 528515284 /nfs/dbraw/zinc/51/52/84/528515284.db2.gz IGJGGJXMXDSPIS-HUUCEWRRSA-N 2 0 263.429 2.537 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414872767 528516899 /nfs/dbraw/zinc/51/68/99/528516899.db2.gz QCMLKPCRDGBHEL-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423269672 528519644 /nfs/dbraw/zinc/51/96/44/528519644.db2.gz WDKPQLBDZZQAOI-KURKYZTESA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000422820921 528531622 /nfs/dbraw/zinc/53/16/22/528531622.db2.gz SWPBENKOYXXWEW-JQHSSLGASA-N 2 0 291.483 2.511 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414801521 528533969 /nfs/dbraw/zinc/53/39/69/528533969.db2.gz UGJVJPMQZDBVLL-RISCZKNCSA-N 2 0 254.805 2.844 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423224600 528586517 /nfs/dbraw/zinc/58/65/17/528586517.db2.gz JMIMGCGCAKSGIX-IINYFYTJSA-N 2 0 256.340 2.989 20 0 CFADRP CCCCOCCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422725836 528587525 /nfs/dbraw/zinc/58/75/25/528587525.db2.gz CLTCXUPRAMZUND-CYBMUJFWSA-N 2 0 279.428 2.706 20 0 CFADRP CCCO[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414691868 528610050 /nfs/dbraw/zinc/61/00/50/528610050.db2.gz JZTNNOOFFAEWOK-CABCVRRESA-N 2 0 256.434 2.641 20 0 CFADRP CCCc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000414677005 528633788 /nfs/dbraw/zinc/63/37/88/528633788.db2.gz VSHKUONCQKNYLG-YESZJQIVSA-N 2 0 258.409 2.808 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(C)C ZINC000422816277 528638519 /nfs/dbraw/zinc/63/85/19/528638519.db2.gz DWZBPKJHSMLRJF-RRFJBIMHSA-N 2 0 268.445 2.702 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000420298533 528638899 /nfs/dbraw/zinc/63/88/99/528638899.db2.gz HOLILKLUSVRJHE-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1(C)C ZINC000422816278 528643694 /nfs/dbraw/zinc/64/36/94/528643694.db2.gz DWZBPKJHSMLRJF-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414921777 528688422 /nfs/dbraw/zinc/68/84/22/528688422.db2.gz FVCLIOOJNLMYHZ-LSDHHAIUSA-N 2 0 292.423 2.844 20 0 CFADRP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[NH3+])oc21 ZINC000423197077 528697519 /nfs/dbraw/zinc/69/75/19/528697519.db2.gz XPXBEIUTQUTTPJ-LLVKDONJSA-N 2 0 262.353 2.831 20 0 CFADRP CCCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000423137341 528734012 /nfs/dbraw/zinc/73/40/12/528734012.db2.gz WDGLFKJRIUNHQJ-CHWSQXEVSA-N 2 0 265.401 2.543 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423146546 528795635 /nfs/dbraw/zinc/79/56/35/528795635.db2.gz AWGNMTXHDVKYST-UVPYHEFZSA-N 2 0 250.430 2.789 20 0 CFADRP CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000422815012 528821579 /nfs/dbraw/zinc/82/15/79/528821579.db2.gz AMMALMWUDSSJTQ-UJJTZGENSA-N 2 0 293.499 2.760 20 0 CFADRP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422870713 528843104 /nfs/dbraw/zinc/84/31/04/528843104.db2.gz XYWDEHHAUBPNPO-CABCVRRESA-N 2 0 294.439 2.626 20 0 CFADRP CCC(CC)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[NH+](C)C ZINC000422964880 528855153 /nfs/dbraw/zinc/85/51/53/528855153.db2.gz MYEWZZYSNRMXKA-LRDDRELGSA-N 2 0 278.444 2.511 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414812291 528949061 /nfs/dbraw/zinc/94/90/61/528949061.db2.gz QZCHRKRFSRVJKC-LBPRGKRZSA-N 2 0 252.377 2.864 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414810863 528953392 /nfs/dbraw/zinc/95/33/92/528953392.db2.gz OVXSGAPFTWKJNT-CYBMUJFWSA-N 2 0 266.433 2.502 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425343468 528970143 /nfs/dbraw/zinc/97/01/43/528970143.db2.gz IKOJDPPYYXIENY-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCC(NCC[NH2+]C2CCCCCC2)CC1 ZINC000414798877 529001602 /nfs/dbraw/zinc/00/16/02/529001602.db2.gz CKPVMMWPOOOCRB-UHFFFAOYSA-N 2 0 281.488 2.761 20 0 CFADRP CCC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423257743 529009054 /nfs/dbraw/zinc/00/90/54/529009054.db2.gz KVGFHTFZWJMBBW-HUUCEWRRSA-N 2 0 261.413 2.902 20 0 CFADRP CCC[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349261 529012159 /nfs/dbraw/zinc/01/21/59/529012159.db2.gz VGIYNJWYTCTRAW-HZPDHXFCSA-N 2 0 261.413 2.902 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCCCC1 ZINC000422968952 529013510 /nfs/dbraw/zinc/01/35/10/529013510.db2.gz YEWMFHIXRUTDMG-IRXDYDNUSA-N 2 0 283.504 2.994 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829691 529014825 /nfs/dbraw/zinc/01/48/25/529014825.db2.gz HRSIOFIDVRNNAU-BHYGNILZSA-N 2 0 275.440 2.941 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000422834122 529015702 /nfs/dbraw/zinc/01/57/02/529015702.db2.gz NIBMQGNPDDHLKM-VNQPRFMTSA-N 2 0 261.413 2.551 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)CCCC[NH3+])c1cccnc1 ZINC000422837376 529016011 /nfs/dbraw/zinc/01/60/11/529016011.db2.gz UCSKFSAEBGHIFP-ZBFHGGJFSA-N 2 0 263.429 2.928 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423329420 529031743 /nfs/dbraw/zinc/03/17/43/529031743.db2.gz STTUKXIJXCICHW-HOTGVXAUSA-N 2 0 264.388 2.720 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422835617 529042764 /nfs/dbraw/zinc/04/27/64/529042764.db2.gz PRNUMSHMSXJJGY-IAGOWNOFSA-N 2 0 276.424 2.973 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422836955 529043251 /nfs/dbraw/zinc/04/32/51/529043251.db2.gz SHJWMANLQLVDLW-AWEZNQCLSA-N 2 0 264.413 2.830 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000423257276 529108133 /nfs/dbraw/zinc/10/81/33/529108133.db2.gz IMRJHJHJBSSAAJ-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1OC ZINC000422936112 529111176 /nfs/dbraw/zinc/11/11/76/529111176.db2.gz IAPDQOHDCQQSBJ-KBUPBQIOSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@H]([NH2+]CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423325761 529119684 /nfs/dbraw/zinc/11/96/84/529119684.db2.gz LOJCABSCQPMGFB-AWEZNQCLSA-N 2 0 256.340 2.990 20 0 CFADRP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1 ZINC000423303601 529159085 /nfs/dbraw/zinc/15/90/85/529159085.db2.gz MATMOUVCECWOBG-CYBMUJFWSA-N 2 0 283.213 2.709 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1c(C)noc1C ZINC000420417310 529160235 /nfs/dbraw/zinc/16/02/35/529160235.db2.gz WITAHYRVSNCVCJ-CQSZACIVSA-N 2 0 265.401 2.722 20 0 CFADRP CC[C@@H](NCc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCC[NH2+]1 ZINC000422741463 529185238 /nfs/dbraw/zinc/18/52/38/529185238.db2.gz OILOUVHJEUHDKT-MSOLQXFVSA-N 2 0 289.467 2.759 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414702752 529191382 /nfs/dbraw/zinc/19/13/82/529191382.db2.gz JEGWTBZXPQGNAG-RDBSUJKOSA-N 2 0 258.475 2.838 20 0 CFADRP CCSc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000423125859 529252856 /nfs/dbraw/zinc/25/28/56/529252856.db2.gz IFOYZAHLJJTBLY-UHOFOFEASA-N 2 0 294.464 2.641 20 0 CFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422902867 529297700 /nfs/dbraw/zinc/29/77/00/529297700.db2.gz DUSHMVGTPUHZPL-JKSUJKDBSA-N 2 0 283.504 2.994 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000421374903 529327104 /nfs/dbraw/zinc/32/71/04/529327104.db2.gz IBYHYYHEHIKFAM-MRXNPFEDSA-N 2 0 289.467 2.964 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000459663670 535092938 /nfs/dbraw/zinc/09/29/38/535092938.db2.gz XRDMIRMODJHAQW-AWEZNQCLSA-N 2 0 297.406 2.833 20 0 CFADRP CCCn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459736741 535624291 /nfs/dbraw/zinc/62/42/91/535624291.db2.gz QTHQFWANGCPPTA-INIZCTEOSA-N 2 0 292.471 2.731 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000268877398 535803517 /nfs/dbraw/zinc/80/35/17/535803517.db2.gz DXAQYPGTBLSVQN-OAHLLOKOSA-N 2 0 292.423 2.840 20 0 CFADRP CCc1nocc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000507214924 535905454 /nfs/dbraw/zinc/90/54/54/535905454.db2.gz RGZXQTMPJYLVKX-UHFFFAOYSA-N 2 0 279.428 2.791 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445806723 536390330 /nfs/dbraw/zinc/39/03/30/536390330.db2.gz YWEGAAKYIVTUNZ-JKSUJKDBSA-N 2 0 259.397 2.607 20 0 CFADRP COc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459724984 537048206 /nfs/dbraw/zinc/04/82/06/537048206.db2.gz FLKZBYGZTRENBS-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166257115 545572450 /nfs/dbraw/zinc/57/24/50/545572450.db2.gz POHVBGUBOUAPAH-DLBZAZTESA-N 2 0 288.435 2.844 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666855271 545558968 /nfs/dbraw/zinc/55/89/68/545558968.db2.gz ICPKQZKXJCWLGT-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000666082850 545578369 /nfs/dbraw/zinc/57/83/69/545578369.db2.gz JINATONPUGBYBM-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000155179434 574072290 /nfs/dbraw/zinc/07/22/90/574072290.db2.gz VTRPAKUBOGYJCO-DUVNUKRYSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[C@H](Nc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000156004314 574082541 /nfs/dbraw/zinc/08/25/41/574082541.db2.gz GSHINXOJZWKPPZ-CZUORRHYSA-N 2 0 261.413 2.643 20 0 CFADRP CC1(C)CCc2cc(C[NH2+]CCn3ccnc3)ccc2O1 ZINC000731675183 574125496 /nfs/dbraw/zinc/12/54/96/574125496.db2.gz MZNWGONZASHVIG-UHFFFAOYSA-N 2 0 285.391 2.777 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000729267251 574195421 /nfs/dbraw/zinc/19/54/21/574195421.db2.gz NNQSEQCDDKTFNB-INIZCTEOSA-N 2 0 276.424 2.647 20 0 CFADRP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CCN(C)C2)ccc1OC ZINC000729681668 574227858 /nfs/dbraw/zinc/22/78/58/574227858.db2.gz HJRVYYXUOXTRQY-ZFWWWQNUSA-N 2 0 292.423 2.666 20 0 CFADRP c1n[nH]cc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000729682478 574227925 /nfs/dbraw/zinc/22/79/25/574227925.db2.gz UZPTZFCZGZHJMT-UHFFFAOYSA-N 2 0 264.417 2.546 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000742367210 574324598 /nfs/dbraw/zinc/32/45/98/574324598.db2.gz KKPFZAWZTOTMLF-ZBFHGGJFSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000743840869 574373185 /nfs/dbraw/zinc/37/31/85/574373185.db2.gz MLMJXJNFGGRKGR-MRXNPFEDSA-N 2 0 296.842 2.647 20 0 CFADRP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000752114842 574388232 /nfs/dbraw/zinc/38/82/32/574388232.db2.gz OCWMRQLBKDRFPF-IBGZPJMESA-N 2 0 298.430 2.756 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCO1 ZINC000753670566 574407857 /nfs/dbraw/zinc/40/78/57/574407857.db2.gz AOQHPSFWNABLGC-ZGRYLRDCSA-N 2 0 280.456 2.941 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000235120340 618103196 /nfs/dbraw/zinc/10/31/96/618103196.db2.gz UEGASXJETONLIX-STQMWFEESA-N 2 0 256.459 2.912 20 0 CFADRP COC1CCC(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000891611919 617685469 /nfs/dbraw/zinc/68/54/69/617685469.db2.gz YJBRVIZYOIFUBJ-UHFFFAOYSA-N 2 0 294.483 2.999 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000891612340 617685896 /nfs/dbraw/zinc/68/58/96/617685896.db2.gz WRCSPNHCJIOXTN-UHFFFAOYSA-N 2 0 296.846 2.714 20 0 CFADRP COC1CCC(C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000891775924 617746049 /nfs/dbraw/zinc/74/60/49/617746049.db2.gz VINMRBBSPQNVLT-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCC3CCCCC3)C[C@]2(C)C1 ZINC000933735845 617763661 /nfs/dbraw/zinc/76/36/61/617763661.db2.gz NIZMHRSDYXDZBE-CVEARBPZSA-N 2 0 250.430 2.840 20 0 CFADRP Cc1cc(N)nc(NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]1 ZINC000891845534 617782569 /nfs/dbraw/zinc/78/25/69/617782569.db2.gz PZQAKBBWBHAYIS-UHFFFAOYSA-N 2 0 299.422 2.820 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000892097033 617946458 /nfs/dbraw/zinc/94/64/58/617946458.db2.gz SFKKFXWTHLKZQQ-INIZCTEOSA-N 2 0 288.435 2.826 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)o2)C[C@@H]1C ZINC000892102191 617949763 /nfs/dbraw/zinc/94/97/63/617949763.db2.gz CVTMBTHTIFOLMV-QWHCGFSZSA-N 2 0 266.385 2.593 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cn(C)nc2C2CC2)C[C@@H]1C ZINC000892104927 617952647 /nfs/dbraw/zinc/95/26/47/617952647.db2.gz UPNDFMRIWCXLMR-BBRMVZONSA-N 2 0 290.455 2.602 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCC(OC)CC2)[C@@H](C)C1 ZINC000892105502 617953704 /nfs/dbraw/zinc/95/37/04/617953704.db2.gz MDTLVPABJKIPSC-ZGRYLRDCSA-N 2 0 282.472 2.854 20 0 CFADRP CC[N@H+](C[C@H](O)c1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC000892105783 617954190 /nfs/dbraw/zinc/95/41/90/617954190.db2.gz RBWASBAILBOSNF-SFHVURJKSA-N 2 0 290.451 2.692 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000892131157 617965643 /nfs/dbraw/zinc/96/56/43/617965643.db2.gz WZMXHIRRYTXUSI-KRWDZBQOSA-N 2 0 258.409 2.645 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2CCC(OC)CC2)C1 ZINC000892133430 617967205 /nfs/dbraw/zinc/96/72/05/617967205.db2.gz OPPZGKGRMCTHFL-AQFXKWCLSA-N 2 0 282.472 2.855 20 0 CFADRP Cn1cccc1[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892192677 617993826 /nfs/dbraw/zinc/99/38/26/617993826.db2.gz NPURVSOLHIYYDO-KRWDZBQOSA-N 2 0 275.440 2.894 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000924047499 617995750 /nfs/dbraw/zinc/99/57/50/617995750.db2.gz FTRUQXIOYFNXMZ-CQSZACIVSA-N 2 0 297.362 2.930 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nccc4c3CCCC4)CC[C@@H]21 ZINC000892226368 618014978 /nfs/dbraw/zinc/01/49/78/618014978.db2.gz GNDBAAWSNJVCJP-LPHOPBHVSA-N 2 0 299.462 2.877 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262151708 618084346 /nfs/dbraw/zinc/08/43/46/618084346.db2.gz ZZMLCSBZGFJJPR-UHFFFAOYSA-N 2 0 277.437 2.596 20 0 CFADRP COc1cccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000051919570 618104804 /nfs/dbraw/zinc/10/48/04/618104804.db2.gz CZQMVPLRYRGPOE-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc(F)c1 ZINC000051919416 618104926 /nfs/dbraw/zinc/10/49/26/618104926.db2.gz NQDQFMGALLZJHW-ZDUSSCGKSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccnn1C1CCC1 ZINC000926114173 618113422 /nfs/dbraw/zinc/11/34/22/618113422.db2.gz KYHYGBLVXUQBJI-CQSZACIVSA-N 2 0 290.455 2.991 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cnn(C2CCC2)c1 ZINC000926450883 618128214 /nfs/dbraw/zinc/12/82/14/618128214.db2.gz SRVHHCPJRFYTMR-YPMHNXCESA-N 2 0 285.395 2.539 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCSC(F)(F)F ZINC000123635713 618134387 /nfs/dbraw/zinc/13/43/87/618134387.db2.gz DPLZWRUGJPLXIX-VIFPVBQESA-N 2 0 258.353 2.545 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)C[NH+](C)C ZINC000926470053 618142644 /nfs/dbraw/zinc/14/26/44/618142644.db2.gz JAMKJPMDYZBMKS-KGLIPLIRSA-N 2 0 278.440 2.762 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1)C[NH+](C)C ZINC000926470056 618142926 /nfs/dbraw/zinc/14/29/26/618142926.db2.gz JAMKJPMDYZBMKS-ZIAGYGMSSA-N 2 0 278.440 2.762 20 0 CFADRP CCNC(NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)=[NH+]CC ZINC000069672684 618195176 /nfs/dbraw/zinc/19/51/76/618195176.db2.gz NZJMOUPINFXCIE-AWEZNQCLSA-N 2 0 290.455 2.691 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(OC)n1 ZINC000926568780 618215241 /nfs/dbraw/zinc/21/52/41/618215241.db2.gz WEYJJGWMNJKBPE-HNNXBMFYSA-N 2 0 296.374 2.979 20 0 CFADRP COCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC000093678143 618215408 /nfs/dbraw/zinc/21/54/08/618215408.db2.gz GSAQBISTEXZQDP-MQVJKMGUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](NCCC(C)(C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309786368 618235768 /nfs/dbraw/zinc/23/57/68/618235768.db2.gz NBFZWBXFLXKIDZ-NVXWUHKLSA-N 2 0 289.467 2.614 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925586236 618270716 /nfs/dbraw/zinc/27/07/16/618270716.db2.gz YJRZTPHUIKQJPU-QWHCGFSZSA-N 2 0 280.387 2.830 20 0 CFADRP Cc1cccc2c1C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC000894036654 618278850 /nfs/dbraw/zinc/27/88/50/618278850.db2.gz LSSCVKNGMUZXQB-UHFFFAOYSA-N 2 0 258.409 2.695 20 0 CFADRP COC1CCC(C[NH2+]C[C@H]2CCCCN2C2CC2)CC1 ZINC000894045517 618287661 /nfs/dbraw/zinc/28/76/61/618287661.db2.gz IFRYKKWQFWKOGW-ARWYELJZSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893305408 618290937 /nfs/dbraw/zinc/29/09/37/618290937.db2.gz RKXBDXBYKQXSMJ-CXAGYDPISA-N 2 0 294.414 2.833 20 0 CFADRP CC(C)[C@H](CN[C@H](c1ccccc1)[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000925604856 618292527 /nfs/dbraw/zinc/29/25/27/618292527.db2.gz AVCCRWQWVYSMPM-NJAFHUGGSA-N 2 0 289.467 2.785 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925606458 618293427 /nfs/dbraw/zinc/29/34/27/618293427.db2.gz NXTKSYWTMFRMJK-UPJWGTAASA-N 2 0 250.386 2.706 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618545 618329480 /nfs/dbraw/zinc/32/94/80/618329480.db2.gz IOGQGAKLMUFHCR-RNJOBUHISA-N 2 0 272.383 2.931 20 0 CFADRP CC(C)C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893320189 618336117 /nfs/dbraw/zinc/33/61/17/618336117.db2.gz PTWYJDZWXXCTSM-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1nccs1 ZINC000235466918 618346378 /nfs/dbraw/zinc/34/63/78/618346378.db2.gz FOPBTHVZORBRDQ-LERXQTSPSA-N 2 0 273.405 2.981 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H](CCCO)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925624179 618346451 /nfs/dbraw/zinc/34/64/51/618346451.db2.gz WAVVUPOQIQASTI-IXDOHACOSA-N 2 0 290.451 2.996 20 0 CFADRP CCCSC[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000892479755 618351078 /nfs/dbraw/zinc/35/10/78/618351078.db2.gz NJQYWAIFWCDCHZ-ZDUSSCGKSA-N 2 0 258.475 2.981 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627771 618353068 /nfs/dbraw/zinc/35/30/68/618353068.db2.gz DWOVOLHMVDTHJA-MTSZKFMLSA-N 2 0 294.483 2.946 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000925629113 618356117 /nfs/dbraw/zinc/35/61/17/618356117.db2.gz LPIRNAJTXHCUAF-QXSJWSMHSA-N 2 0 280.456 2.830 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925629565 618358638 /nfs/dbraw/zinc/35/86/38/618358638.db2.gz KDKUDTIMZFROQY-VHDGCEQUSA-N 2 0 278.465 2.965 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000925630607 618359154 /nfs/dbraw/zinc/35/91/54/618359154.db2.gz PVSGEOJLBLMYCG-XJKSGUPXSA-N 2 0 258.409 2.522 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000926652090 618359621 /nfs/dbraw/zinc/35/96/21/618359621.db2.gz VPXZULYQZSTDKO-YJBUHQLJSA-N 2 0 274.811 2.621 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924539936 618372605 /nfs/dbraw/zinc/37/26/05/618372605.db2.gz IAZZSODXSYCVTF-AWEZNQCLSA-N 2 0 277.456 2.739 20 0 CFADRP Cn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C2CC2)n1 ZINC000893329547 618373641 /nfs/dbraw/zinc/37/36/41/618373641.db2.gz DBQPXYANMMJTBE-UHFFFAOYSA-N 2 0 298.434 2.649 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000926664019 618379399 /nfs/dbraw/zinc/37/93/99/618379399.db2.gz ORUIQLAUEJJUMR-CQSZACIVSA-N 2 0 276.424 2.825 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925646713 618392681 /nfs/dbraw/zinc/39/26/81/618392681.db2.gz VHQDJJUTILGVJA-KGLIPLIRSA-N 2 0 280.387 2.830 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1C ZINC000925657341 618412420 /nfs/dbraw/zinc/41/24/20/618412420.db2.gz NLRRQGSRZHSNHJ-IRXDYDNUSA-N 2 0 288.435 2.932 20 0 CFADRP CC(C)(C)N1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000926682123 618412558 /nfs/dbraw/zinc/41/25/58/618412558.db2.gz GKUUQLURRZIRBA-CBCUQQMYSA-N 2 0 280.456 2.797 20 0 CFADRP CCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCOCC1 ZINC000261764987 618422583 /nfs/dbraw/zinc/42/25/83/618422583.db2.gz OALFPJYSYZBYIG-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC2(C1)CCCC2 ZINC000926687494 618423723 /nfs/dbraw/zinc/42/37/23/618423723.db2.gz YVWTZSCIGVQKSJ-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261778098 618426826 /nfs/dbraw/zinc/42/68/26/618426826.db2.gz FGYKVRIRRDDDNF-CABCVRRESA-N 2 0 298.434 2.565 20 0 CFADRP Cc1ccnc(N)c1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000894180743 618429669 /nfs/dbraw/zinc/42/96/69/618429669.db2.gz PPRWGMAJKKHPFP-CQSZACIVSA-N 2 0 290.455 2.574 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894181007 618430564 /nfs/dbraw/zinc/43/05/64/618430564.db2.gz NLCBRDLLKGSCJA-OWCLPIDISA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCC[C@H]2CC2(Cl)Cl)CC1 ZINC000895180129 618443058 /nfs/dbraw/zinc/44/30/58/618443058.db2.gz KLKSRKDZCZEOFX-LBPRGKRZSA-N 2 0 279.255 2.892 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CSc2ccccc21 ZINC000925678191 618455968 /nfs/dbraw/zinc/45/59/68/618455968.db2.gz DBVJPDOHFNIDLO-HQBUMVOBSA-N 2 0 288.460 2.981 20 0 CFADRP Cc1nn(C)c(Cl)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000066155655 618460892 /nfs/dbraw/zinc/46/08/92/618460892.db2.gz BJFWCGRZCHSHNJ-UHFFFAOYSA-N 2 0 298.862 2.546 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925683370 618467755 /nfs/dbraw/zinc/46/77/55/618467755.db2.gz PKXQRJKFOVFEEJ-QXSJWSMHSA-N 2 0 282.472 2.933 20 0 CFADRP C[C@H](CCNCc1cc(O)cc(C(F)(F)F)c1)[NH+](C)C ZINC000895292563 618511749 /nfs/dbraw/zinc/51/17/49/618511749.db2.gz HAAJMGLEICTNTM-SNVBAGLBSA-N 2 0 290.329 2.841 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294574 618513927 /nfs/dbraw/zinc/51/39/27/618513927.db2.gz RRPABZTYNPDTRF-STQMWFEESA-N 2 0 254.443 2.999 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1O ZINC000895294659 618514255 /nfs/dbraw/zinc/51/42/55/618514255.db2.gz ZHCAEZPXECXUOC-ZIAGYGMSSA-N 2 0 294.439 2.652 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)[NH+](C)C ZINC000895295034 618514685 /nfs/dbraw/zinc/51/46/85/618514685.db2.gz YNHBEWMHJVGJKB-UONOGXRCSA-N 2 0 292.423 2.666 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1OC ZINC000895292375 618514867 /nfs/dbraw/zinc/51/48/67/618514867.db2.gz BJEPDZYGZNNFRN-ZIAGYGMSSA-N 2 0 294.439 2.565 20 0 CFADRP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000895305405 618520811 /nfs/dbraw/zinc/52/08/11/618520811.db2.gz XKHXAKFQWGVCJI-LOWVWBTDSA-N 2 0 289.261 2.622 20 0 CFADRP COc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1 ZINC000042442240 620815054 /nfs/dbraw/zinc/81/50/54/620815054.db2.gz DHCUMVNPZZVYSG-UHFFFAOYSA-N 2 0 250.386 2.646 20 0 CFADRP COc1ccc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895378632 618557567 /nfs/dbraw/zinc/55/75/67/618557567.db2.gz RFPZXGKCCOMPEC-HOCLYGCPSA-N 2 0 291.439 2.642 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1(C)C ZINC000895429821 618578017 /nfs/dbraw/zinc/57/80/17/618578017.db2.gz VYTVGPQCXQCORP-HZSPNIEDSA-N 2 0 256.434 2.508 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CSC2)CC1 ZINC000895421647 618582064 /nfs/dbraw/zinc/58/20/64/618582064.db2.gz RFSFMSIEFLOKNO-CJNGLKHVSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]([NH2+]CC1CSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895422197 618582988 /nfs/dbraw/zinc/58/29/88/618582988.db2.gz VJSKVSVAUWOWBX-RHSMWYFYSA-N 2 0 290.476 2.850 20 0 CFADRP CC(C)[C@@H](O)[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000895436909 618584675 /nfs/dbraw/zinc/58/46/75/618584675.db2.gz FLBHZHVDDVPEPB-QZTJIDSGSA-N 2 0 290.451 2.676 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC000895448601 618591944 /nfs/dbraw/zinc/59/19/44/618591944.db2.gz IGPLVCXNAJZLRY-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP Cc1[nH+]ccc(NCc2cc(N(C)C)cc[nH+]2)c1Cl ZINC000895464649 618599904 /nfs/dbraw/zinc/59/99/04/618599904.db2.gz DQMKXHSQIOWIKG-UHFFFAOYSA-N 2 0 276.771 2.538 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926738834 618620121 /nfs/dbraw/zinc/62/01/21/618620121.db2.gz MROXMTQSDBQTAJ-WBVHZDCISA-N 2 0 287.451 2.724 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000892584593 618642669 /nfs/dbraw/zinc/64/26/69/618642669.db2.gz MOKFTRIOSATUQE-INIZCTEOSA-N 3 0 281.488 2.572 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC(C)(O)CC1 ZINC000892584293 618642816 /nfs/dbraw/zinc/64/28/16/618642816.db2.gz IGQNEBHTLRAUOB-GTPINHCMSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nccn2C2CC2)C1 ZINC000892584850 618643288 /nfs/dbraw/zinc/64/32/88/618643288.db2.gz PBJZYPAGMJVUGP-HNNXBMFYSA-N 2 0 290.455 2.820 20 0 CFADRP CCn1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)c(C)n1 ZINC000892590004 618645324 /nfs/dbraw/zinc/64/53/24/618645324.db2.gz YYDHBBCMHGVOOT-UHFFFAOYSA-N 2 0 292.471 2.813 20 0 CFADRP COc1ccc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc1 ZINC000892592933 618646112 /nfs/dbraw/zinc/64/61/12/618646112.db2.gz UDEPQRSHJDXRJT-GASCZTMLSA-N 2 0 291.439 2.548 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CCC[NH+]3CCC(C)CC3)C2)CO1 ZINC000924577627 618649688 /nfs/dbraw/zinc/64/96/88/618649688.db2.gz KZARIYYKLKCMJE-KLAILNCOSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924579003 618655471 /nfs/dbraw/zinc/65/54/71/618655471.db2.gz SXXRNJXBFRDVSH-INIZCTEOSA-N 2 0 283.504 2.530 20 0 CFADRP COCCCC1(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCC1 ZINC000892621226 618657406 /nfs/dbraw/zinc/65/74/06/618657406.db2.gz IHBIERGZJXHFKK-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000892676064 618697317 /nfs/dbraw/zinc/69/73/17/618697317.db2.gz WRLMWTGFXIRUGA-SELMTXEXSA-N 2 0 293.499 2.568 20 0 CFADRP CC[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926816201 618710871 /nfs/dbraw/zinc/71/08/71/618710871.db2.gz LBQNETTTYJKITI-LSDHHAIUSA-N 2 0 270.461 2.636 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2CCC(OC)CC2)C1 ZINC000892743986 618738315 /nfs/dbraw/zinc/73/83/15/618738315.db2.gz YFFJZTTYUBGACH-HWOWSKLDSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000892748908 618739136 /nfs/dbraw/zinc/73/91/36/618739136.db2.gz IQIJIIVQSNESHX-UHFFFAOYSA-N 2 0 290.451 2.904 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000892755483 618741588 /nfs/dbraw/zinc/74/15/88/618741588.db2.gz KXVRDZIGNJVYOU-UHFFFAOYSA-N 2 0 258.409 2.997 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924604790 618746533 /nfs/dbraw/zinc/74/65/33/618746533.db2.gz AMGZMWFVJBLDIF-ZWKOTPCHSA-N 2 0 290.451 2.899 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924607967 618762577 /nfs/dbraw/zinc/76/25/77/618762577.db2.gz MOUXZFCALCZMKM-OAHLLOKOSA-N 2 0 283.419 2.864 20 0 CFADRP CCc1nnc(C[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000892882035 618762973 /nfs/dbraw/zinc/76/29/73/618762973.db2.gz HOJKPBAMDDCFEM-UHFFFAOYSA-N 2 0 296.484 2.846 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000893070867 618819981 /nfs/dbraw/zinc/81/99/81/618819981.db2.gz YJUPTWGWENIXBO-UHFFFAOYSA-N 2 0 294.468 2.627 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000893068474 618820687 /nfs/dbraw/zinc/82/06/87/618820687.db2.gz QGZUGKZNJFOPJS-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCCCC(=O)OC(C)(C)C)CC1 ZINC000893078655 618823216 /nfs/dbraw/zinc/82/32/16/618823216.db2.gz DXYYZDDXQIBPLH-UHFFFAOYSA-N 2 0 298.471 2.820 20 0 CFADRP Cc1cc(F)ncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000893086010 618826297 /nfs/dbraw/zinc/82/62/97/618826297.db2.gz LQOMVGHNTHPBPU-GOOCMWNKSA-N 2 0 277.387 2.634 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000893094877 618829072 /nfs/dbraw/zinc/82/90/72/618829072.db2.gz RGORZBCATHHDMA-FYRZTWFESA-N 2 0 268.445 2.654 20 0 CFADRP CSC[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925506733 618835318 /nfs/dbraw/zinc/83/53/18/618835318.db2.gz WXAUTGYOLDSZHL-GXTWGEPZSA-N 2 0 252.427 2.808 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCSc1ccccc1 ZINC000925510116 618845042 /nfs/dbraw/zinc/84/50/42/618845042.db2.gz RZFZWCAMHKHHAB-CQSZACIVSA-N 2 0 264.438 2.899 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000925510115 618845214 /nfs/dbraw/zinc/84/52/14/618845214.db2.gz RZFZWCAMHKHHAB-AWEZNQCLSA-N 2 0 264.438 2.899 20 0 CFADRP c1ccc(SCCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925510348 618846989 /nfs/dbraw/zinc/84/69/89/618846989.db2.gz VCLAREKNPHRXCH-GMBUGEKQSA-N 2 0 288.460 2.755 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000925510945 618848982 /nfs/dbraw/zinc/84/89/82/618848982.db2.gz CONZAWQILUTNAI-FUHWJXTLSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)Cc1cccs1 ZINC000925514326 618852730 /nfs/dbraw/zinc/85/27/30/618852730.db2.gz DJARZYUQVACEPX-DGCLKSJQSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925514111 618852889 /nfs/dbraw/zinc/85/28/89/618852889.db2.gz LHCKXHZNFONFLR-OWCLPIDISA-N 2 0 281.488 2.747 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C12CCC2 ZINC000925518129 618856711 /nfs/dbraw/zinc/85/67/11/618856711.db2.gz DHVSEKZXUZTTGA-ZIAGYGMSSA-N 2 0 264.800 2.742 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925522022 618861316 /nfs/dbraw/zinc/86/13/16/618861316.db2.gz PUMYLMDMYCNWFC-ZIAGYGMSSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000925525854 618870611 /nfs/dbraw/zinc/87/06/11/618870611.db2.gz JQDXMMZUKGYPRK-RDJZCZTQSA-N 2 0 275.440 2.541 20 0 CFADRP Cn1ncc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1C1CC1 ZINC000893186782 618872034 /nfs/dbraw/zinc/87/20/34/618872034.db2.gz FAVLMJHYXRVDDC-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCOc2ccccc2Cl)CC1 ZINC000893187196 618872414 /nfs/dbraw/zinc/87/24/14/618872414.db2.gz MGGVXPLQHLQARJ-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925527193 618873639 /nfs/dbraw/zinc/87/36/39/618873639.db2.gz MTKJZPJCCXFHRJ-GJZGRUSLSA-N 2 0 268.445 2.702 20 0 CFADRP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+][C@@H]2CCCSC2)C1 ZINC000925531681 618884614 /nfs/dbraw/zinc/88/46/14/618884614.db2.gz SGRFCITUYGMLPR-RBSFLKMASA-N 2 0 268.470 2.640 20 0 CFADRP CC1CCN(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925545933 618906601 /nfs/dbraw/zinc/90/66/01/618906601.db2.gz DJAFNWGIOXUPJE-SFHVURJKSA-N 2 0 289.467 2.788 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925554770 618918532 /nfs/dbraw/zinc/91/85/32/618918532.db2.gz AWIIGUADOZPXTF-IAGOWNOFSA-N 2 0 291.439 2.592 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000925558840 618922732 /nfs/dbraw/zinc/92/27/32/618922732.db2.gz WIIIWEYNTUVKOD-MSOLQXFVSA-N 2 0 287.451 2.541 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000925691457 618935275 /nfs/dbraw/zinc/93/52/75/618935275.db2.gz NERDDPZXEBGYBE-IKGGRYGDSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CS1 ZINC000925692740 618938306 /nfs/dbraw/zinc/93/83/06/618938306.db2.gz AVKSZEXVYAISJQ-SNPRPXQTSA-N 2 0 264.438 2.950 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1 ZINC000925693241 618938773 /nfs/dbraw/zinc/93/87/73/618938773.db2.gz QOGVELVWIYKISM-MRXNPFEDSA-N 3 0 275.440 2.718 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925698730 618951923 /nfs/dbraw/zinc/95/19/23/618951923.db2.gz LYPMJISHAYEYDE-INIZCTEOSA-N 2 0 279.472 2.563 20 0 CFADRP CC1(C)C[C@@H](NCC[NH2+]C2CCCCCC2)C[C@@H]([NH3+])C1 ZINC000925699476 618952322 /nfs/dbraw/zinc/95/23/22/618952322.db2.gz PBYKPLQHQCRNMD-ZBFHGGJFSA-N 2 0 281.488 2.794 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000925700205 618952751 /nfs/dbraw/zinc/95/27/51/618952751.db2.gz NOEUKFBYRNXNBB-WRQOLXDDSA-N 2 0 280.456 2.546 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925702064 618955026 /nfs/dbraw/zinc/95/50/26/618955026.db2.gz KEEIBLBACCMWQJ-LSDHHAIUSA-N 2 0 275.440 2.737 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925703560 618957730 /nfs/dbraw/zinc/95/77/30/618957730.db2.gz HHOSARWPQMILFT-JKSUJKDBSA-N 2 0 280.456 2.561 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925705134 618959472 /nfs/dbraw/zinc/95/94/72/618959472.db2.gz HUQGCBYTRKBDPT-QZTJIDSGSA-N 2 0 287.451 2.835 20 0 CFADRP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925706088 618960590 /nfs/dbraw/zinc/96/05/90/618960590.db2.gz FDRSALXYIAOIRL-DDTOSNHZSA-N 2 0 296.361 2.592 20 0 CFADRP C1CCC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000925711004 618964880 /nfs/dbraw/zinc/96/48/80/618964880.db2.gz YJCONKDMYQUXHM-WBVHZDCISA-N 2 0 291.483 2.658 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1C ZINC000925711172 618965246 /nfs/dbraw/zinc/96/52/46/618965246.db2.gz MAORWTOYVGDJML-CVEARBPZSA-N 2 0 258.409 2.705 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711893 618965995 /nfs/dbraw/zinc/96/59/95/618965995.db2.gz FLJLKKFYCLKVON-IHRRRGAJSA-N 2 0 270.461 2.933 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000925712383 618966398 /nfs/dbraw/zinc/96/63/98/618966398.db2.gz TZOGCROTSLBWQN-IRXDYDNUSA-N 3 0 275.440 2.588 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925713854 618968035 /nfs/dbraw/zinc/96/80/35/618968035.db2.gz VHCWNMNUCIUCLV-JJXSEGSLSA-N 2 0 256.393 2.710 20 0 CFADRP Nc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925714052 618968880 /nfs/dbraw/zinc/96/88/80/618968880.db2.gz NGPDQQLXUKELGK-DLBZAZTESA-N 2 0 273.424 2.527 20 0 CFADRP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925717344 618974784 /nfs/dbraw/zinc/97/47/84/618974784.db2.gz JGTSIJAXVYJYFR-IRXDYDNUSA-N 2 0 273.424 2.648 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCSc3ccccc3)C[C@@H]2C1 ZINC000931437035 618975156 /nfs/dbraw/zinc/97/51/56/618975156.db2.gz AAHIKEWZYOLVPW-CABCVRRESA-N 2 0 276.449 2.662 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@@H]([NH3+])C1 ZINC000925719589 618977276 /nfs/dbraw/zinc/97/72/76/618977276.db2.gz APJANCSEYCKVGF-KHMAMNHCSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000093211548 618989892 /nfs/dbraw/zinc/98/98/92/618989892.db2.gz XUBHLHZFGSMKRK-ZMLRMANQSA-N 2 0 254.324 2.885 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000832382881 625309462 /nfs/dbraw/zinc/30/94/62/625309462.db2.gz CQLIPFNSWWPHBQ-UHFFFAOYSA-N 2 0 291.439 2.857 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925724633 619002295 /nfs/dbraw/zinc/00/22/95/619002295.db2.gz BTLYWEYODOAALW-WMLDXEAASA-N 2 0 285.435 2.850 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000093515962 619034350 /nfs/dbraw/zinc/03/43/50/619034350.db2.gz NSIXCHLMSOZLPS-DLBZAZTESA-N 2 0 281.488 2.763 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(O)cc1 ZINC000093515955 619034544 /nfs/dbraw/zinc/03/45/44/619034544.db2.gz ZRGHHCUSHHMEHW-GDBMZVCRSA-N 2 0 276.424 2.835 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000893533074 619041151 /nfs/dbraw/zinc/04/11/51/619041151.db2.gz YLFCBLGWFPFRHM-QGZVFWFLSA-N 2 0 292.398 2.621 20 0 CFADRP C[C@H](C[N@H+](C)CC1CC[NH+](C)CC1)c1nccs1 ZINC000893536597 619043085 /nfs/dbraw/zinc/04/30/85/619043085.db2.gz WWPVDWJHBQRNMS-GFCCVEGCSA-N 2 0 267.442 2.520 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000925734878 619044822 /nfs/dbraw/zinc/04/48/22/619044822.db2.gz CFRZSXAZVFIOAR-HOCLYGCPSA-N 2 0 274.408 2.790 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000925740277 619050093 /nfs/dbraw/zinc/05/00/93/619050093.db2.gz HNVQUVVMFUNNBZ-HOCLYGCPSA-N 2 0 276.424 2.871 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925765402 619076331 /nfs/dbraw/zinc/07/63/31/619076331.db2.gz BFCDMCPVZZEKFX-MLGOLLRUSA-N 2 0 271.364 2.530 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1c2ccccc2CC[C@H]1F ZINC000925771120 619083932 /nfs/dbraw/zinc/08/39/32/619083932.db2.gz MRIQVKFIMUTYAU-AZHAFVHUSA-N 2 0 250.361 2.727 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000925776874 619097818 /nfs/dbraw/zinc/09/78/18/619097818.db2.gz NDNFIUQBUCWZPE-CVEARBPZSA-N 2 0 294.389 2.768 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000925777872 619099166 /nfs/dbraw/zinc/09/91/66/619099166.db2.gz HTCHEKIATKEBGD-GXTWGEPZSA-N 2 0 266.335 2.508 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925781316 619103086 /nfs/dbraw/zinc/10/30/86/619103086.db2.gz YCVDBKHNMCIEJX-FZMZJTMJSA-N 2 0 284.325 2.647 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094370498 619106084 /nfs/dbraw/zinc/10/60/84/619106084.db2.gz PBYVBAFLGODYSA-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925792141 619117239 /nfs/dbraw/zinc/11/72/39/619117239.db2.gz UBNIHDKPEMRAHE-SCVCMEIPSA-N 2 0 267.442 2.520 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCc2c1cccc2F ZINC000925796144 619118756 /nfs/dbraw/zinc/11/87/56/619118756.db2.gz AGNXBGFRFLMXQU-HSMVNMDESA-N 2 0 262.372 2.648 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)C12CCCC2 ZINC000925797426 619119533 /nfs/dbraw/zinc/11/95/33/619119533.db2.gz NYRNBUJZPGINCT-LVQVYYBASA-N 2 0 280.456 2.559 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798010 619119827 /nfs/dbraw/zinc/11/98/27/619119827.db2.gz JQJCPLKSNNSGGM-MGPQQGTHSA-N 2 0 262.397 2.591 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000925797962 619119851 /nfs/dbraw/zinc/11/98/51/619119851.db2.gz IUBQFTWAMYIJLN-UNEWFSDZSA-N 2 0 276.424 2.982 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2ccccc21 ZINC000925801653 619122187 /nfs/dbraw/zinc/12/21/87/619122187.db2.gz WEJZPFHGESAUON-UNEWFSDZSA-N 2 0 258.409 2.899 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801673 619122273 /nfs/dbraw/zinc/12/22/73/619122273.db2.gz WHOCUSIWLXSGMY-RBSFLKMASA-N 2 0 276.424 2.900 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nccc2c1CCCC2 ZINC000925806884 619127011 /nfs/dbraw/zinc/12/70/11/619127011.db2.gz RYMYCHNEZTYPBP-CYBMUJFWSA-N 2 0 261.413 2.568 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nccc3c2CCCC3)C1 ZINC000925806905 619127269 /nfs/dbraw/zinc/12/72/69/619127269.db2.gz SBAQEOBXRYWOAO-HUUCEWRRSA-N 2 0 287.451 2.956 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc21 ZINC000925811730 619130309 /nfs/dbraw/zinc/13/03/09/619130309.db2.gz JSROBBLFRPKRNP-KBPBESRZSA-N 2 0 286.423 2.569 20 0 CFADRP CC(C)N(C)CC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000054110897 619139303 /nfs/dbraw/zinc/13/93/03/619139303.db2.gz DLTKDJXDMAJBOL-CQSZACIVSA-N 2 0 292.423 2.666 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000925824379 619145655 /nfs/dbraw/zinc/14/56/55/619145655.db2.gz SHTBPSAPUXQYAG-KZYLPZIUSA-N 3 0 279.472 2.501 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925826349 619151268 /nfs/dbraw/zinc/15/12/68/619151268.db2.gz NBVFBEBWDPNENE-FVQBIDKESA-N 2 0 280.456 2.831 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCCC[NH2+]1 ZINC000925827635 619157349 /nfs/dbraw/zinc/15/73/49/619157349.db2.gz AIIVDZXDQWOWAH-ZDEQEGDKSA-N 2 0 294.361 2.607 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000925834524 619165892 /nfs/dbraw/zinc/16/58/92/619165892.db2.gz ISOSHBJAJYXYKT-KBPBESRZSA-N 2 0 264.438 2.811 20 0 CFADRP CCCC[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000107801566 619166549 /nfs/dbraw/zinc/16/65/49/619166549.db2.gz LWKGIKCCXSWMHW-UHFFFAOYSA-N 2 0 289.467 2.714 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925836170 619167691 /nfs/dbraw/zinc/16/76/91/619167691.db2.gz XKEZWRDTJVNDCY-RHSMWYFYSA-N 2 0 283.419 2.755 20 0 CFADRP CN(CC[NH2+]C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552702 619169934 /nfs/dbraw/zinc/16/99/34/619169934.db2.gz RRKNXVMWEJEWJF-QGZVFWFLSA-N 2 0 289.467 2.581 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925839629 619173032 /nfs/dbraw/zinc/17/30/32/619173032.db2.gz SDGOVJZDLRSBNF-APIJFGDWSA-N 2 0 280.362 2.752 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H]1CC[NH2+]C1 ZINC000925840285 619173462 /nfs/dbraw/zinc/17/34/62/619173462.db2.gz VDELUWUQEXLHAP-NMFUWQPSSA-N 2 0 280.362 2.623 20 0 CFADRP COCC1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CCC1 ZINC000261610954 619177610 /nfs/dbraw/zinc/17/76/10/619177610.db2.gz SKFAMUBBJYCEHP-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccsc1 ZINC000925846115 619178012 /nfs/dbraw/zinc/17/80/12/619178012.db2.gz KEFUVGCFRUORLU-INIZCTEOSA-N 2 0 295.496 2.864 20 0 CFADRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000925848216 619181608 /nfs/dbraw/zinc/18/16/08/619181608.db2.gz CNPVCAIWIGFUPR-MRXNPFEDSA-N 2 0 281.488 2.620 20 0 CFADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261636955 619182742 /nfs/dbraw/zinc/18/27/42/619182742.db2.gz WNZLXIYQDROMPD-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CCCCCC[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925852693 619183448 /nfs/dbraw/zinc/18/34/48/619183448.db2.gz FVYPBTGPOBJVFY-GJZGRUSLSA-N 2 0 296.455 2.620 20 0 CFADRP C(C[C@@H]1CCCCO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261648760 619185722 /nfs/dbraw/zinc/18/57/22/619185722.db2.gz RAWVOVCKBYAIQP-MWDXBVQZSA-N 2 0 280.456 2.846 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCS2 ZINC000925860681 619186975 /nfs/dbraw/zinc/18/69/75/619186975.db2.gz JLZLEWBWUBKJPY-LXTVHRRPSA-N 2 0 280.481 2.782 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCS2 ZINC000925860934 619187383 /nfs/dbraw/zinc/18/73/83/619187383.db2.gz MIMCNOBYZOPIJH-QWHCGFSZSA-N 2 0 254.443 2.536 20 0 CFADRP COC[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925872968 619193122 /nfs/dbraw/zinc/19/31/22/619193122.db2.gz CEAIQWAFEMVESA-IAGOWNOFSA-N 2 0 278.440 2.975 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000925872965 619193136 /nfs/dbraw/zinc/19/31/36/619193136.db2.gz CCQVTMQJLLRHDR-VVLHAWIVSA-N 2 0 282.472 2.805 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000925872964 619193260 /nfs/dbraw/zinc/19/32/60/619193260.db2.gz CCQVTMQJLLRHDR-MWDXBVQZSA-N 2 0 282.472 2.805 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000925874542 619195181 /nfs/dbraw/zinc/19/51/81/619195181.db2.gz SSKHMPQCQUJLNB-OKZBNKHCSA-N 2 0 288.435 2.811 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000925877518 619197710 /nfs/dbraw/zinc/19/77/10/619197710.db2.gz RBMMBQCVJHPODK-FOGDFJRCSA-N 2 0 254.324 2.743 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000236988592 619202012 /nfs/dbraw/zinc/20/20/12/619202012.db2.gz QLAMQNKEJLBZDG-UHFFFAOYSA-N 2 0 297.487 2.617 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(C)s1 ZINC000925882638 619202213 /nfs/dbraw/zinc/20/22/13/619202213.db2.gz OMQDZGUCRXUHEA-FXAINCCUSA-N 2 0 253.415 2.538 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccn1 ZINC000925885909 619204360 /nfs/dbraw/zinc/20/43/60/619204360.db2.gz BCBSOTLZUOBXSJ-QILLFSRXSA-N 2 0 281.403 2.791 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C1 ZINC000925888259 619205285 /nfs/dbraw/zinc/20/52/85/619205285.db2.gz ASNAHROMVPDRBY-ABFRBSLYSA-N 2 0 288.435 2.530 20 0 CFADRP Cc1coc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000893939266 619248343 /nfs/dbraw/zinc/24/83/43/619248343.db2.gz CSJLHTRNFRKZRD-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP Cc1ncoc1C[NH2+]CCCCCCC[NH+](C)C ZINC000894209760 619257745 /nfs/dbraw/zinc/25/77/45/619257745.db2.gz WLOMRSQBXXZGCF-UHFFFAOYSA-N 2 0 253.390 2.585 20 0 CFADRP Cc1cc(F)ncc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000894230133 619272790 /nfs/dbraw/zinc/27/27/90/619272790.db2.gz ARDHADJZSKFBDB-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000261918562 619314575 /nfs/dbraw/zinc/31/45/75/619314575.db2.gz ZWYOSDRKFUPBMN-XJKSGUPXSA-N 2 0 262.397 2.775 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC2(C1)CCCC2 ZINC000925022509 619339597 /nfs/dbraw/zinc/33/95/97/619339597.db2.gz GXIPPQYFGGTPSU-MRXNPFEDSA-N 2 0 280.456 2.536 20 0 CFADRP COc1ccc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261988502 619358524 /nfs/dbraw/zinc/35/85/24/619358524.db2.gz SBBQTQPCISKTAL-OAHLLOKOSA-N 2 0 288.435 2.874 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894479335 619397018 /nfs/dbraw/zinc/39/70/18/619397018.db2.gz ODGAZXBICNFINM-HNNXBMFYSA-N 2 0 291.439 2.709 20 0 CFADRP Cc1nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)sc1C ZINC000894479376 619397236 /nfs/dbraw/zinc/39/72/36/619397236.db2.gz OSGPWFYHZIZZEM-HNNXBMFYSA-N 2 0 293.480 2.924 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262035806 619400200 /nfs/dbraw/zinc/40/02/00/619400200.db2.gz OODDVNZBQJRYBW-CABCVRRESA-N 2 0 250.430 2.888 20 0 CFADRP FC(F)Oc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262043308 619412975 /nfs/dbraw/zinc/41/29/75/619412975.db2.gz PKYOXMVRIOSHFZ-UHFFFAOYSA-N 2 0 296.361 2.864 20 0 CFADRP COCC1(C[NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000894555150 619417967 /nfs/dbraw/zinc/41/79/67/619417967.db2.gz SLHZALFZXUZOCH-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCO[C@H]2CCCCO2)CC1 ZINC000894561876 619418585 /nfs/dbraw/zinc/41/85/85/619418585.db2.gz UQHPRGURBRAWBK-KRWDZBQOSA-N 2 0 298.471 2.630 20 0 CFADRP c1cn2cc(C[NH2+]CCCCC[NH+]3CCCC3)sc2n1 ZINC000894626391 619431997 /nfs/dbraw/zinc/43/19/97/619431997.db2.gz RNFWITSZJREYNW-UHFFFAOYSA-N 2 0 292.452 2.752 20 0 CFADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)o1 ZINC000894626392 619432037 /nfs/dbraw/zinc/43/20/37/619432037.db2.gz RSGJSPFXAWQOEE-UHFFFAOYSA-N 2 0 266.385 2.644 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)o1 ZINC000894780191 619465280 /nfs/dbraw/zinc/46/52/80/619465280.db2.gz ZINVEDOKSBFDMO-LLVKDONJSA-N 2 0 277.393 2.725 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3c2NCCC3)C1 ZINC000894780941 619465956 /nfs/dbraw/zinc/46/59/56/619465956.db2.gz AUIRBLRSQQKIAY-SJLPKXTDSA-N 2 0 299.462 2.961 20 0 CFADRP CCC1([NH+](C)C)CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000894930304 619514405 /nfs/dbraw/zinc/51/44/05/619514405.db2.gz SXXLLNWAFPUWFT-UHFFFAOYSA-N 2 0 282.819 2.628 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000895009106 619525302 /nfs/dbraw/zinc/52/53/02/619525302.db2.gz QSDQINSUEOLPOR-HZPDHXFCSA-N 2 0 262.372 2.555 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](C)CC2)C[C@H](C)C1(F)F ZINC000895549450 619549635 /nfs/dbraw/zinc/54/96/35/619549635.db2.gz FUHCUIBBHPYKRQ-RYUDHWBXSA-N 2 0 260.372 2.551 20 0 CFADRP COc1ccccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895558573 619555316 /nfs/dbraw/zinc/55/53/16/619555316.db2.gz YCMSSGRMBFDTIG-HNNXBMFYSA-N 2 0 297.402 2.801 20 0 CFADRP COC1CCC(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000895587203 619561366 /nfs/dbraw/zinc/56/13/66/619561366.db2.gz LBOJRBMCPKQKGT-HWOWSKLDSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC[C@H]1CCO1 ZINC000895683655 619585814 /nfs/dbraw/zinc/58/58/14/619585814.db2.gz RCOKEMCPWXWWGS-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCN2C2CCCCCC2)CC1 ZINC000895840699 619616337 /nfs/dbraw/zinc/61/63/37/619616337.db2.gz VWIYRQRKJNZLPJ-GOSISDBHSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C ZINC000895845389 619618125 /nfs/dbraw/zinc/61/81/25/619618125.db2.gz VQDMPXDQCLVHCK-MSOLQXFVSA-N 2 0 272.436 2.872 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)CC1 ZINC000895939678 619640146 /nfs/dbraw/zinc/64/01/46/619640146.db2.gz ZJAXYNQWLQCRBQ-IBGZPJMESA-N 2 0 284.447 2.918 20 0 CFADRP CCO[C@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+](C)C ZINC000896117237 619674316 /nfs/dbraw/zinc/67/43/16/619674316.db2.gz LOJVJLWSLQZPRM-CYBMUJFWSA-N 2 0 291.370 2.753 20 0 CFADRP CC1(C)OC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)O1 ZINC000896388492 619727629 /nfs/dbraw/zinc/72/76/29/619727629.db2.gz XHHUNNODISVJAW-CKDBGZEDSA-N 2 0 296.455 2.525 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000896388192 619727923 /nfs/dbraw/zinc/72/79/23/619727923.db2.gz RUCHMVILLLOARJ-CGZBRXJRSA-N 2 0 280.456 2.942 20 0 CFADRP CCn1cnc2c1CCN(c1cc[nH+]c(C)c1Cl)C2 ZINC000896660924 619782634 /nfs/dbraw/zinc/78/26/34/619782634.db2.gz VKGASWCIPBLFHA-UHFFFAOYSA-N 2 0 276.771 2.823 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@H]21 ZINC000262372838 619869703 /nfs/dbraw/zinc/86/97/03/619869703.db2.gz XQKLYFMHLHDRPF-XGWLTEMNSA-N 2 0 299.393 2.933 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925196160 620019371 /nfs/dbraw/zinc/01/93/71/620019371.db2.gz CURJACMVAKJZMW-JKSUJKDBSA-N 2 0 289.467 2.741 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)(C)CO ZINC000925209710 620024416 /nfs/dbraw/zinc/02/44/16/620024416.db2.gz YJCWLKOFYCOFMP-AWEZNQCLSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925216072 620027365 /nfs/dbraw/zinc/02/73/65/620027365.db2.gz HJWUCNVYFKSPOW-ZIAGYGMSSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000897417831 620112088 /nfs/dbraw/zinc/11/20/88/620112088.db2.gz ARVYZKWDJINHES-XJKCOSOUSA-N 2 0 274.408 2.755 20 0 CFADRP COc1c(Cl)cccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000897480365 620184590 /nfs/dbraw/zinc/18/45/90/620184590.db2.gz YAHGYYWDAOJXHV-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ncco1 ZINC000925300922 620235383 /nfs/dbraw/zinc/23/53/83/620235383.db2.gz PYDGQZOVKPKMSF-CYBMUJFWSA-N 2 0 286.379 2.637 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000897621445 620260802 /nfs/dbraw/zinc/26/08/02/620260802.db2.gz BMMPCFQFZSMZSR-PQEBFOHHSA-N 2 0 262.441 2.862 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1(C)C ZINC000897746522 620282269 /nfs/dbraw/zinc/28/22/69/620282269.db2.gz MQRZKHHOPZTOJW-FUDCBSFHSA-N 2 0 268.470 2.875 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)CC1(C)C ZINC000897969748 620305972 /nfs/dbraw/zinc/30/59/72/620305972.db2.gz AONDMWBARPYHQS-CBCUQQMYSA-N 2 0 280.456 2.797 20 0 CFADRP c1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000897959735 620312280 /nfs/dbraw/zinc/31/22/80/620312280.db2.gz WVIMOFRMQOUJMP-DAXOMENPSA-N 2 0 268.364 2.546 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017465 620323642 /nfs/dbraw/zinc/32/36/42/620323642.db2.gz NHKUBMSACHGVOJ-DYEKYZERSA-N 2 0 272.383 2.884 20 0 CFADRP CC1(C)CCN(CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000898033761 620326864 /nfs/dbraw/zinc/32/68/64/620326864.db2.gz BJRZVKWXNCERAJ-AWEZNQCLSA-N 2 0 297.446 2.957 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@H](O)C3CC3)CC2)C1 ZINC000898203733 620344397 /nfs/dbraw/zinc/34/43/97/620344397.db2.gz HTFVTABAERFRHA-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccncc2)C2CC2)CC1(C)C ZINC000898317580 620372051 /nfs/dbraw/zinc/37/20/51/620372051.db2.gz JKPBVHXOSRDBIS-JKSUJKDBSA-N 2 0 273.424 2.995 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000924667575 620436501 /nfs/dbraw/zinc/43/65/01/620436501.db2.gz OHUVFTIWLCMLIA-WCXIOVBPSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccnnc1 ZINC000924682266 620439503 /nfs/dbraw/zinc/43/95/03/620439503.db2.gz BSEMBYQSCPTTLZ-OWCLPIDISA-N 2 0 290.455 2.885 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCS[C@H](C)C2)CC1 ZINC000927033492 620443928 /nfs/dbraw/zinc/44/39/28/620443928.db2.gz SVIBGEFFSFLIAB-OCCSQVGLSA-N 2 0 256.459 2.733 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924698309 620444871 /nfs/dbraw/zinc/44/48/71/620444871.db2.gz YFJIOJXJIJTMDF-QKPAOTATSA-N 2 0 268.445 2.533 20 0 CFADRP C[C@H](NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000899266317 620537848 /nfs/dbraw/zinc/53/78/48/620537848.db2.gz RJHOQWMHKLXBEP-KGLIPLIRSA-N 2 0 280.460 2.553 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc3c(c2)CC[C@H]([NH3+])C3)s1 ZINC000899323954 620543755 /nfs/dbraw/zinc/54/37/55/620543755.db2.gz WDESYSXCGOELOI-ZDUSSCGKSA-N 2 0 258.390 2.690 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)cc1 ZINC000899324015 620543879 /nfs/dbraw/zinc/54/38/79/620543879.db2.gz WXIGXBLAZAKUES-PIGZYNQJSA-N 2 0 252.361 2.799 20 0 CFADRP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)SCC1CC[NH2+]CC1 ZINC000899633026 620587843 /nfs/dbraw/zinc/58/78/43/620587843.db2.gz LAUFOCLGYSJRJC-GOOCMWNKSA-N 2 0 268.470 2.640 20 0 CFADRP CCNc1ccccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000902040988 620962022 /nfs/dbraw/zinc/96/20/22/620962022.db2.gz HSULOICLVJZYED-UHFFFAOYSA-N 2 0 273.424 2.835 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2NC)C1 ZINC000902132966 620979552 /nfs/dbraw/zinc/97/95/52/620979552.db2.gz WMAGDTOZDUIUEW-CQSZACIVSA-N 2 0 261.413 2.550 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC000902318731 621022830 /nfs/dbraw/zinc/02/28/30/621022830.db2.gz ZRHGABPFYSLKNB-GFCCVEGCSA-N 2 0 282.378 2.875 20 0 CFADRP C[N@H+](CCN[C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902321565 621024006 /nfs/dbraw/zinc/02/40/06/621024006.db2.gz VXBGZARCPYMXRV-HNNXBMFYSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329695 621038236 /nfs/dbraw/zinc/03/82/36/621038236.db2.gz SLVBJFSOAMTKGX-JKSUJKDBSA-N 2 0 281.488 2.619 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccsc2)C1 ZINC000902332356 621039254 /nfs/dbraw/zinc/03/92/54/621039254.db2.gz DWTQQRZDKVAEEW-ZDUSSCGKSA-N 2 0 252.427 2.658 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCOCC1 ZINC000902332883 621039392 /nfs/dbraw/zinc/03/93/92/621039392.db2.gz GVBNZJKGXSDMFU-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC000902333880 621039544 /nfs/dbraw/zinc/03/95/44/621039544.db2.gz MNNIFVWARMXCLF-INIZCTEOSA-N 2 0 276.424 2.571 20 0 CFADRP CC(C)OCCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902367762 621043375 /nfs/dbraw/zinc/04/33/75/621043375.db2.gz CVQLPVWJCILANQ-AWEZNQCLSA-N 2 0 256.434 2.559 20 0 CFADRP CCCCn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000902367671 621043438 /nfs/dbraw/zinc/04/34/38/621043438.db2.gz DZAPPEXEIVJPTL-INIZCTEOSA-N 2 0 292.471 2.859 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000902371005 621044296 /nfs/dbraw/zinc/04/42/96/621044296.db2.gz QIWOQCCSIIEKOC-GFCCVEGCSA-N 2 0 267.804 2.603 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902373402 621045029 /nfs/dbraw/zinc/04/50/29/621045029.db2.gz DDZUFPBUHLOVJM-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374681 621045777 /nfs/dbraw/zinc/04/57/77/621045777.db2.gz CQEXYAHAVQEAJY-CYBMUJFWSA-N 2 0 252.427 2.924 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000902352066 621048825 /nfs/dbraw/zinc/04/88/25/621048825.db2.gz JMCAZMCHBJGXMJ-CQSZACIVSA-N 2 0 280.387 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(CCO)CCCCC2)C1 ZINC000902359277 621052203 /nfs/dbraw/zinc/05/22/03/621052203.db2.gz FPELSFOLELHXSH-OAHLLOKOSA-N 2 0 282.472 2.687 20 0 CFADRP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363349 621053720 /nfs/dbraw/zinc/05/37/20/621053720.db2.gz LFTFCPFBVXVSKG-QWHCGFSZSA-N 2 0 250.386 2.578 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902388383 621061496 /nfs/dbraw/zinc/06/14/96/621061496.db2.gz PTIJYXUKBNARHJ-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)CC(F)(F)F ZINC000902389815 621062269 /nfs/dbraw/zinc/06/22/69/621062269.db2.gz AMZMUWDJMVKLNP-WDEREUQCSA-N 2 0 266.351 2.943 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000902390807 621062282 /nfs/dbraw/zinc/06/22/82/621062282.db2.gz BOKCDRBHMYIZEQ-JXQTWKCFSA-N 2 0 256.409 2.883 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCCO1 ZINC000902391930 621062859 /nfs/dbraw/zinc/06/28/59/621062859.db2.gz IYLDCIMPDOFASN-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C[C@H]2C[C@H]2C1 ZINC000902398989 621066584 /nfs/dbraw/zinc/06/65/84/621066584.db2.gz SBMBKMADWMKQHR-FQLMCAECSA-N 2 0 250.430 2.790 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1(F)F ZINC000902400999 621067480 /nfs/dbraw/zinc/06/74/80/621067480.db2.gz ZCPNUMYIKOMWBV-WDEREUQCSA-N 2 0 260.372 2.646 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000902428330 621075455 /nfs/dbraw/zinc/07/54/55/621075455.db2.gz BYIBWFMSCYMBTD-DISONHOPSA-N 2 0 294.483 2.828 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000902429372 621076686 /nfs/dbraw/zinc/07/66/86/621076686.db2.gz JWXZCALUADGSRC-RYUDHWBXSA-N 2 0 268.788 2.708 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C1CC1 ZINC000902430200 621076834 /nfs/dbraw/zinc/07/68/34/621076834.db2.gz HTKGEMYAHQLALO-XJKSGUPXSA-N 2 0 260.425 2.971 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CC[NH2+]C23CCCC3)OC1 ZINC000902431169 621077242 /nfs/dbraw/zinc/07/72/42/621077242.db2.gz SAZZAJVZCNGZLA-CABCVRRESA-N 2 0 280.456 2.846 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000902433248 621078192 /nfs/dbraw/zinc/07/81/92/621078192.db2.gz ZJPXONWOLKFPRO-STECZYCISA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000902433432 621078667 /nfs/dbraw/zinc/07/86/67/621078667.db2.gz USYYZJUFFIQCNK-BRWVUGGUSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000902433866 621078749 /nfs/dbraw/zinc/07/87/49/621078749.db2.gz USYYZJUFFIQCNK-IXDOHACOSA-N 2 0 294.483 2.950 20 0 CFADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2([NH3+])CC2)cc1F ZINC000902413847 621084253 /nfs/dbraw/zinc/08/42/53/621084253.db2.gz OUSYDUXSUMDQJB-HIFRSBDPSA-N 2 0 292.398 2.941 20 0 CFADRP [NH3+]C1(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000902415141 621085282 /nfs/dbraw/zinc/08/52/82/621085282.db2.gz BPYCXIHTCWYIMD-UHFFFAOYSA-N 2 0 280.415 2.921 20 0 CFADRP CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(OC)cc1 ZINC000902473444 621085665 /nfs/dbraw/zinc/08/56/65/621085665.db2.gz YTFNMVBFIOCYGQ-DMRZNYOFSA-N 2 0 260.381 2.629 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902476196 621087509 /nfs/dbraw/zinc/08/75/09/621087509.db2.gz NNASEKZFIBVXEV-JWYNJWGYSA-N 2 0 291.483 2.512 20 0 CFADRP [NH3+]CCC[C@@H](NC[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902477759 621088219 /nfs/dbraw/zinc/08/82/19/621088219.db2.gz RORMPQJUPXFFGD-IAGOWNOFSA-N 2 0 275.440 2.588 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448061 621090304 /nfs/dbraw/zinc/09/03/04/621090304.db2.gz XLSIBEWXCNSVOY-DNUGQZQRSA-N 2 0 290.476 2.961 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000902452742 621092737 /nfs/dbraw/zinc/09/27/37/621092737.db2.gz AIAOEULTFMVKFU-GXSJLCMTSA-N 2 0 276.409 2.717 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902453418 621093245 /nfs/dbraw/zinc/09/32/45/621093245.db2.gz CPVFFKGMQXYNNH-AGIUHOORSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902455187 621093612 /nfs/dbraw/zinc/09/36/12/621093612.db2.gz WAZZUFNHYDJICR-LSCVPOLPSA-N 2 0 268.351 2.926 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000902456605 621094259 /nfs/dbraw/zinc/09/42/59/621094259.db2.gz OYVTVTQADDAIFO-FRRDWIJNSA-N 2 0 260.372 2.790 20 0 CFADRP C1[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902455765 621094333 /nfs/dbraw/zinc/09/43/33/621094333.db2.gz MSIQNOYOSYRDQB-UHDSXZAQSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902456606 621094376 /nfs/dbraw/zinc/09/43/76/621094376.db2.gz OYVTVTQADDAIFO-JHJVBQTASA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000902457399 621094673 /nfs/dbraw/zinc/09/46/73/621094673.db2.gz RQQPLPXXLCJQIQ-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000902457403 621094966 /nfs/dbraw/zinc/09/49/66/621094966.db2.gz RQQPLPXXLCJQIQ-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902458980 621095653 /nfs/dbraw/zinc/09/56/53/621095653.db2.gz AHNSZZRHSZWPRM-XGUBFFRZSA-N 2 0 280.456 2.700 20 0 CFADRP FC(F)(F)C1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902468069 621099845 /nfs/dbraw/zinc/09/98/45/621099845.db2.gz LNMBSZKGQYWADB-JEDMMJBGSA-N 2 0 262.319 2.590 20 0 CFADRP CSc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489995 621102128 /nfs/dbraw/zinc/10/21/28/621102128.db2.gz UGAYSJFOVGYPRL-GVXVVHGQSA-N 2 0 250.411 2.796 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1OC(F)(F)F ZINC000902491442 621102759 /nfs/dbraw/zinc/10/27/59/621102759.db2.gz XVLOQFLGJRSCHA-GMTAPVOTSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902483514 621110345 /nfs/dbraw/zinc/11/03/45/621110345.db2.gz RCFBEBVMLDZUME-MNOVXSKESA-N 2 0 252.324 2.839 20 0 CFADRP Cc1cc([C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C2CC2)ccc1F ZINC000902485139 621110968 /nfs/dbraw/zinc/11/09/68/621110968.db2.gz HZUHLQAZIJMSSI-PJODQICGSA-N 2 0 262.372 2.912 20 0 CFADRP Cc1oc(C(C)(C)C)cc1C[NH2+]CCOCC[NH+](C)C ZINC000902486321 621111369 /nfs/dbraw/zinc/11/13/69/621111369.db2.gz DPWWOROQSOKOJP-UHFFFAOYSA-N 2 0 282.428 2.553 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486125 621111380 /nfs/dbraw/zinc/11/13/80/621111380.db2.gz PUKCLHLPIBPNAA-XHBSWPGZSA-N 2 0 274.408 2.745 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CC3 ZINC000902486107 621111501 /nfs/dbraw/zinc/11/15/01/621111501.db2.gz PQVACSOZKACVTL-IHRRRGAJSA-N 2 0 283.419 2.661 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000902487014 621112007 /nfs/dbraw/zinc/11/20/07/621112007.db2.gz GHEHAPIUVDDLBB-CKYFFXLPSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487257 621112031 /nfs/dbraw/zinc/11/20/31/621112031.db2.gz SJCAJDXHRDRIMC-JTNHKYCSSA-N 2 0 268.351 2.613 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902487385 621112598 /nfs/dbraw/zinc/11/25/98/621112598.db2.gz UGZAPVAKJFZERC-LVQVYYBASA-N 2 0 273.424 2.743 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487606 621112795 /nfs/dbraw/zinc/11/27/95/621112795.db2.gz KYKWKWRKRYZRGI-BRWVUGGUSA-N 2 0 260.425 2.971 20 0 CFADRP C1CC1([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCCC1 ZINC000902518362 621115482 /nfs/dbraw/zinc/11/54/82/621115482.db2.gz PVHLCWCAJVNEOZ-RHMLRGBNSA-N 2 0 260.425 2.685 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518940 621115621 /nfs/dbraw/zinc/11/56/21/621115621.db2.gz UWNUNWQGFGLDJA-HOTGVXAUSA-N 2 0 280.387 2.844 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518378 621115641 /nfs/dbraw/zinc/11/56/41/621115641.db2.gz PYTQBAYTZPNDAL-CJNGLKHVSA-N 2 0 280.387 2.572 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000902522831 621116832 /nfs/dbraw/zinc/11/68/32/621116832.db2.gz YNOZNSZWSWPCOP-GUDVDZBRSA-N 2 0 296.414 2.715 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902724782 621158482 /nfs/dbraw/zinc/15/84/82/621158482.db2.gz IXVXEVJBFFDLFZ-BHYGNILZSA-N 2 0 288.435 2.700 20 0 CFADRP CCN1CCC([NH2+][C@H](CC(C)C)C2CCOCC2)CC1 ZINC000902725882 621158884 /nfs/dbraw/zinc/15/88/84/621158884.db2.gz HJXWGBWOMPODEY-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC(C)C)C2CCOCC2)C1 ZINC000902752047 621164828 /nfs/dbraw/zinc/16/48/28/621164828.db2.gz FXMAXWZIIPKVAC-DOTOQJQBSA-N 2 0 282.472 2.759 20 0 CFADRP COC(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)c(C)c1 ZINC000902765923 621169269 /nfs/dbraw/zinc/16/92/69/621169269.db2.gz CIQFYDVQJJJEHI-ZFWWWQNUSA-N 2 0 290.407 2.526 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C1 ZINC000902779604 621171581 /nfs/dbraw/zinc/17/15/81/621171581.db2.gz YAAYHNZNEZHLPM-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902779665 621171839 /nfs/dbraw/zinc/17/18/39/621171839.db2.gz YWBIMVUUZVJFIF-QXDIGNSFSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902780722 621172368 /nfs/dbraw/zinc/17/23/68/621172368.db2.gz PTXHZUGDCHDMBF-HYVNUMGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cn(C)nn1 ZINC000902793968 621178151 /nfs/dbraw/zinc/17/81/51/621178151.db2.gz PJLWYNNILSAQMZ-HNNXBMFYSA-N 2 0 293.459 2.512 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1COc2ccccc2C1 ZINC000902794866 621178697 /nfs/dbraw/zinc/17/86/97/621178697.db2.gz ZMTFQXOXYIOFMZ-YOEHRIQHSA-N 2 0 288.435 2.558 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1COc2ccccc2C1 ZINC000902794865 621178786 /nfs/dbraw/zinc/17/87/86/621178786.db2.gz ZMTFQXOXYIOFMZ-WMLDXEAASA-N 2 0 288.435 2.558 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000902810047 621183974 /nfs/dbraw/zinc/18/39/74/621183974.db2.gz PMDLEVBBKNKJBR-NQLMQOPMSA-N 2 0 294.483 2.756 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902944280 621207388 /nfs/dbraw/zinc/20/73/88/621207388.db2.gz DUMVINMFWIHFAB-KBPBESRZSA-N 2 0 250.430 2.887 20 0 CFADRP CN1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902975621 621215828 /nfs/dbraw/zinc/21/58/28/621215828.db2.gz HTIPIUVHPHJWDG-ZDGDKENJSA-N 2 0 292.467 2.510 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000903014890 621221918 /nfs/dbraw/zinc/22/19/18/621221918.db2.gz AOUPJJBWZHNUQB-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCCC1 ZINC000903064601 621238836 /nfs/dbraw/zinc/23/88/36/621238836.db2.gz DJHAKWVPVGSDMH-WRXVUKFLSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H]1C ZINC000903090952 621249389 /nfs/dbraw/zinc/24/93/89/621249389.db2.gz JWSCVTZRBKCLMI-XMTFNYHQSA-N 2 0 295.515 2.674 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098111 621251675 /nfs/dbraw/zinc/25/16/75/621251675.db2.gz LKFNSGOEKAUROV-YTTRVJOFSA-N 2 0 280.456 2.939 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)(C)C ZINC000903105052 621254578 /nfs/dbraw/zinc/25/45/78/621254578.db2.gz ORXNLVCVOQFWMV-YPAMNDHTSA-N 2 0 280.456 2.795 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000903106099 621254934 /nfs/dbraw/zinc/25/49/34/621254934.db2.gz WUYSTSMKBHXHOQ-GJZGRUSLSA-N 2 0 256.434 2.652 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903107271 621255921 /nfs/dbraw/zinc/25/59/21/621255921.db2.gz PMDOHFQWRDFXAK-RRFJBIMHSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903113639 621259480 /nfs/dbraw/zinc/25/94/80/621259480.db2.gz PWOZZNRQXSIJKF-LHCMDFTLSA-N 2 0 292.467 2.937 20 0 CFADRP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903112348 621259503 /nfs/dbraw/zinc/25/95/03/621259503.db2.gz NTGWRPQJSHYFEH-ZXFUBFMLSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903113638 621259664 /nfs/dbraw/zinc/25/96/64/621259664.db2.gz PWOZZNRQXSIJKF-HJYMDDGLSA-N 2 0 292.467 2.937 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000903124637 621261720 /nfs/dbraw/zinc/26/17/20/621261720.db2.gz HUFCBGLUIUHDIR-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000903160993 621271287 /nfs/dbraw/zinc/27/12/87/621271287.db2.gz CIOJJBBUGCZEQW-DMRZNYOFSA-N 2 0 250.430 2.743 20 0 CFADRP COC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903175455 621274760 /nfs/dbraw/zinc/27/47/60/621274760.db2.gz SIIIERMVHHAWCC-VHRNVKJDSA-N 2 0 278.440 2.693 20 0 CFADRP C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CC1CCOCC1 ZINC000903177419 621275718 /nfs/dbraw/zinc/27/57/18/621275718.db2.gz MTWLDQQPWQELQX-ZNXRZULTSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccn1 ZINC000903197448 621282580 /nfs/dbraw/zinc/28/25/80/621282580.db2.gz ZAWLVDFSKADCAE-ZBSSRIJBSA-N 2 0 285.435 2.933 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCC1 ZINC000903204443 621285425 /nfs/dbraw/zinc/28/54/25/621285425.db2.gz UUYQDVPFCOKFEN-ONQFOCNCSA-N 2 0 292.467 2.939 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903189753 621286202 /nfs/dbraw/zinc/28/62/02/621286202.db2.gz HVCTVDXYAZLFRV-PPHJYPGKSA-N 2 0 278.440 2.691 20 0 CFADRP C([NH2+][C@@H]1CCOC12CCCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000903206878 621287461 /nfs/dbraw/zinc/28/74/61/621287461.db2.gz UQKQNRFOWITTHH-DLBZAZTESA-N 2 0 292.467 2.800 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000903212123 621289617 /nfs/dbraw/zinc/28/96/17/621289617.db2.gz KAZBFDGDPXKYNU-JKSUJKDBSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903220704 621292385 /nfs/dbraw/zinc/29/23/85/621292385.db2.gz NJUAPDKQYFURNF-WVXKTUNOSA-N 2 0 260.425 2.778 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000903283288 621305771 /nfs/dbraw/zinc/30/57/71/621305771.db2.gz JURALSZOCOGFHI-GXTWGEPZSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]1[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC[N@@H+]1C ZINC000903299569 621314591 /nfs/dbraw/zinc/31/45/91/621314591.db2.gz BIZJFMLKRXJSTK-ATLSCFEFSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H](c2ccccn2)C2CC2)CC[N@@H+]1C ZINC000903338527 621333727 /nfs/dbraw/zinc/33/37/27/621333727.db2.gz IMXHFIRVUWRKMH-XNRPHZJLSA-N 2 0 259.397 2.605 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000903353973 621345112 /nfs/dbraw/zinc/34/51/12/621345112.db2.gz QBXDFNUMVBPVLR-RBSFLKMASA-N 2 0 298.471 2.674 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000903396063 621353595 /nfs/dbraw/zinc/35/35/95/621353595.db2.gz PMJKGGYVLRUAPG-FSDCSDTHSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000903429865 621372123 /nfs/dbraw/zinc/37/21/23/621372123.db2.gz KFJVMRZTOQQQOE-IMJJTQAJSA-N 2 0 276.449 2.904 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](c2ccccc2)O1 ZINC000903432544 621372834 /nfs/dbraw/zinc/37/28/34/621372834.db2.gz DSQTXYCBFJPXOI-TXCZRRACSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)C1 ZINC000903432479 621372893 /nfs/dbraw/zinc/37/28/93/621372893.db2.gz CDRTUALJFSALRM-JGGQBBKZSA-N 2 0 260.381 2.657 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000903431613 621372923 /nfs/dbraw/zinc/37/29/23/621372923.db2.gz RUQDGSQPFHBCKJ-INWMFGNUSA-N 2 0 262.372 2.818 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903437391 621374809 /nfs/dbraw/zinc/37/48/09/621374809.db2.gz HRMJAXYMTFYIRN-HZSPNIEDSA-N 2 0 256.459 2.721 20 0 CFADRP C[N@@H+](Cc1nc2ccccc2s1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441590 621377651 /nfs/dbraw/zinc/37/76/51/621377651.db2.gz ZYSDQRLCPFOQBF-NEPJUHHUSA-N 2 0 275.421 2.856 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903441483 621377735 /nfs/dbraw/zinc/37/77/35/621377735.db2.gz UREMYLOUSAMRSS-XJFOESAGSA-N 2 0 256.459 2.720 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903421996 621378528 /nfs/dbraw/zinc/37/85/28/621378528.db2.gz SQDAPZSHOSEUMD-FVQBIDKESA-N 2 0 294.389 2.967 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903459225 621380432 /nfs/dbraw/zinc/38/04/32/621380432.db2.gz SDBRDZCLSWAJMM-KBPBESRZSA-N 2 0 290.398 2.640 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000903458641 621380783 /nfs/dbraw/zinc/38/07/83/621380783.db2.gz GDDMGGWNPJKEBI-INWMFGNUSA-N 2 0 262.397 2.591 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2ccccc2SCC)C[C@H]1C[NH3+] ZINC000903461432 621381040 /nfs/dbraw/zinc/38/10/40/621381040.db2.gz TWCBKANTMLTXPZ-HUUCEWRRSA-N 2 0 294.464 2.594 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCc2ccccc21 ZINC000903463450 621382030 /nfs/dbraw/zinc/38/20/30/621382030.db2.gz BGUZHMYQTNWWEP-ZBFHGGJFSA-N 2 0 272.436 2.950 20 0 CFADRP [NH3+][C@@H]1CC[C@H](CN2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000903442034 621382700 /nfs/dbraw/zinc/38/27/00/621382700.db2.gz GUBOZUKVJPXGOH-ZWKOTPCHSA-N 2 0 293.499 2.702 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)C[C@H]21 ZINC000903447312 621385034 /nfs/dbraw/zinc/38/50/34/621385034.db2.gz OCPMNWOQKNZISE-BZUAXINKSA-N 2 0 269.392 2.727 20 0 CFADRP [NH3+]CCC[N@H+](CCc1ccns1)CC1CCCC1 ZINC000903452297 621387227 /nfs/dbraw/zinc/38/72/27/621387227.db2.gz KWQFEVAAZXSMLR-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000903456309 621388436 /nfs/dbraw/zinc/38/84/36/621388436.db2.gz GNOSAXSECZTNHT-BFHYXJOUSA-N 2 0 294.826 2.921 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1C[NH3+] ZINC000903477365 621391331 /nfs/dbraw/zinc/39/13/31/621391331.db2.gz ZTVXJQKUAVAUHK-NMFUWQPSSA-N 2 0 280.362 2.562 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000903481480 621391632 /nfs/dbraw/zinc/39/16/32/621391632.db2.gz CZNRJWALZKAKLX-FHIRATQRSA-N 2 0 256.393 2.776 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)C1 ZINC000903481471 621391836 /nfs/dbraw/zinc/39/18/36/621391836.db2.gz CWNWPIRHHKHAMZ-UAGQMJEPSA-N 2 0 285.435 2.598 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C2)n1 ZINC000903481644 621391949 /nfs/dbraw/zinc/39/19/49/621391949.db2.gz INGFJYUJUSXQCI-SNPRPXQTSA-N 2 0 293.480 2.562 20 0 CFADRP c1ccc(COCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483073 621392902 /nfs/dbraw/zinc/39/29/02/621392902.db2.gz CQLZSZMIXYQWOO-QGZVFWFLSA-N 2 0 288.435 2.858 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498704 621394172 /nfs/dbraw/zinc/39/41/72/621394172.db2.gz BOMGWMBLBUAHGR-GDBMZVCRSA-N 2 0 276.424 2.545 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1F ZINC000903499444 621394391 /nfs/dbraw/zinc/39/43/91/621394391.db2.gz VOFHYBRIJAFTEC-VXGBXAGGSA-N 2 0 268.351 2.690 20 0 CFADRP CC(C)(C)OC[C@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000903564013 621396732 /nfs/dbraw/zinc/39/67/32/621396732.db2.gz NOZDXPSMJIIOAT-CQSZACIVSA-N 2 0 256.434 2.785 20 0 CFADRP Cc1nc(CC2CC[NH+](CCCCCCC[NH3+])CC2)no1 ZINC000903566427 621396887 /nfs/dbraw/zinc/39/68/87/621396887.db2.gz TZSBSFCENVUWGW-UHFFFAOYSA-N 2 0 294.443 2.542 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903718394 621425182 /nfs/dbraw/zinc/42/51/82/621425182.db2.gz LWIUATIQLDBNKP-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903719032 621425522 /nfs/dbraw/zinc/42/55/22/621425522.db2.gz UHIDMBBSYCPZCN-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP CC1CCC([N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903718426 621425584 /nfs/dbraw/zinc/42/55/84/621425584.db2.gz MGJWYYWOLXCXLU-UYSNPLJNSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000903722834 621426583 /nfs/dbraw/zinc/42/65/83/621426583.db2.gz DRLXNTAYKFCPMC-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722652 621426625 /nfs/dbraw/zinc/42/66/25/621426625.db2.gz CHNDHFVHMIRFRG-ZBFHGGJFSA-N 2 0 294.464 2.727 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722448 621426687 /nfs/dbraw/zinc/42/66/87/621426687.db2.gz AWRDCEKOTLZEJR-KEYYUXOJSA-N 2 0 292.398 2.587 20 0 CFADRP Cc1cc([C@@H]2CCCN2C[C@H]2CCCC[NH2+]C2)no1 ZINC000903723554 621426997 /nfs/dbraw/zinc/42/69/97/621426997.db2.gz IKLWBBPZAOLSBZ-ZFWWWQNUSA-N 2 0 263.385 2.510 20 0 CFADRP C[C@@H](c1cccs1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724924 621427686 /nfs/dbraw/zinc/42/76/86/621427686.db2.gz SIXXXVUMHSABQJ-KBPBESRZSA-N 2 0 294.464 2.900 20 0 CFADRP CC(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725005 621427815 /nfs/dbraw/zinc/42/78/15/621427815.db2.gz UNNPEIJSGZLYEU-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](c1cccs1)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725470 621428352 /nfs/dbraw/zinc/42/83/52/621428352.db2.gz ZZBMWYYGYLSZCQ-NFAWXSAZSA-N 2 0 280.437 2.510 20 0 CFADRP C[N@H+](CCC1CCCCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727685 621428634 /nfs/dbraw/zinc/42/86/34/621428634.db2.gz XBDLIMJULSSEJK-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728386 621428686 /nfs/dbraw/zinc/42/86/86/621428686.db2.gz AEOLFOPWSISCJY-YYIAUSFCSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@H](C)C[N@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731886 621429760 /nfs/dbraw/zinc/42/97/60/621429760.db2.gz DAUYVXOIWMVJCN-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC(CC)(CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733171 621429578 /nfs/dbraw/zinc/42/95/78/621429578.db2.gz KTWVNSFUOGOKHL-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1nc2sccn2c1CN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903753350 621433358 /nfs/dbraw/zinc/43/33/58/621433358.db2.gz UCXHEWIJWGKMKJ-ZDUSSCGKSA-N 2 0 292.452 2.526 20 0 CFADRP CC[C@H](NC[C@H]1CCCC[NH2+]C1)c1c(C)noc1C ZINC000903760218 621435884 /nfs/dbraw/zinc/43/58/84/621435884.db2.gz WEIDPTDVUGFVKB-KBPBESRZSA-N 2 0 265.401 2.722 20 0 CFADRP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764690 621436509 /nfs/dbraw/zinc/43/65/09/621436509.db2.gz AIDNNFYXMZEGQN-ZWKOTPCHSA-N 2 0 288.435 2.586 20 0 CFADRP CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764684 621436539 /nfs/dbraw/zinc/43/65/39/621436539.db2.gz AIDNNFYXMZEGQN-MSOLQXFVSA-N 2 0 288.435 2.586 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000903763729 621436786 /nfs/dbraw/zinc/43/67/86/621436786.db2.gz LPVDPNFHXSJGON-HNNXBMFYSA-N 2 0 280.456 2.515 20 0 CFADRP Cc1cc(C)nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903767869 621437165 /nfs/dbraw/zinc/43/71/65/621437165.db2.gz ISKNMSZFIBSQFF-KRWDZBQOSA-N 2 0 287.451 2.910 20 0 CFADRP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766871 621437289 /nfs/dbraw/zinc/43/72/89/621437289.db2.gz CDRBFRVUZWMSKJ-OKZBNKHCSA-N 2 0 292.467 2.800 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000903757935 621438502 /nfs/dbraw/zinc/43/85/02/621438502.db2.gz IRPHOYXSMSFYSI-SZMVWBNQSA-N 2 0 288.435 2.744 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2CF)C[C@@H]1C[NH3+] ZINC000903758778 621438643 /nfs/dbraw/zinc/43/86/43/621438643.db2.gz MJYHTEOBMSURMM-DOMZBBRYSA-N 2 0 250.361 2.573 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2CF)C[C@@H]1C[NH3+] ZINC000903758781 621438832 /nfs/dbraw/zinc/43/88/32/621438832.db2.gz MJYHTEOBMSURMM-WFASDCNBSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccns2)CC1 ZINC000903792549 621439123 /nfs/dbraw/zinc/43/91/23/621439123.db2.gz DNWCMIVXMUNCRR-UHFFFAOYSA-N 2 0 287.432 2.636 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000903791469 621439232 /nfs/dbraw/zinc/43/92/32/621439232.db2.gz YMFLQMUAHYIVLY-OAHLLOKOSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCCCCCO)CC1 ZINC000903793991 621439653 /nfs/dbraw/zinc/43/96/53/621439653.db2.gz MHUXFZDVUBIJBO-UHFFFAOYSA-N 2 0 290.451 2.532 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903778390 621440053 /nfs/dbraw/zinc/44/00/53/621440053.db2.gz MOVJDWTYTGQBNW-SOLBZPMBSA-N 2 0 288.435 2.756 20 0 CFADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903781293 621441110 /nfs/dbraw/zinc/44/11/10/621441110.db2.gz PKXMKOPEBBPUTQ-QWHCGFSZSA-N 2 0 296.377 2.937 20 0 CFADRP CC(C)OCCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816600 621443174 /nfs/dbraw/zinc/44/31/74/621443174.db2.gz ZVRVCPLKCJOASA-OAHLLOKOSA-N 2 0 268.445 2.785 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810693 621447085 /nfs/dbraw/zinc/44/70/85/621447085.db2.gz FLCNOXHOMNLWKF-INIZCTEOSA-N 2 0 290.455 2.565 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1)C1CC1 ZINC000903812647 621447602 /nfs/dbraw/zinc/44/76/02/621447602.db2.gz VNAFKQKYZSFCLE-JKSUJKDBSA-N 2 0 280.456 2.785 20 0 CFADRP CCc1nocc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812156 621447637 /nfs/dbraw/zinc/44/76/37/621447637.db2.gz RCZAWQKHUABVPN-OAHLLOKOSA-N 2 0 277.412 2.721 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)cc1Cl)C2 ZINC000903842564 621449544 /nfs/dbraw/zinc/44/95/44/621449544.db2.gz PMLNNZFFOOLYFY-XDTLVQLUSA-N 2 0 268.763 2.791 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3ncccc13)C2 ZINC000903838569 621453246 /nfs/dbraw/zinc/45/32/46/621453246.db2.gz CRALSTBBRYETAB-CFVMTHIKSA-N 2 0 267.376 2.546 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000903842922 621454556 /nfs/dbraw/zinc/45/45/56/621454556.db2.gz XQZKDWTUSXSPKC-ORQFMDKSSA-N 2 0 270.420 2.918 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000903844727 621455015 /nfs/dbraw/zinc/45/50/15/621455015.db2.gz BSMIGEABYWZVRG-XQQFMLRXSA-N 2 0 282.334 2.600 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1)C2 ZINC000903848674 621455571 /nfs/dbraw/zinc/45/55/71/621455571.db2.gz SRQKOMVPJFOODT-UBHSHLNASA-N 2 0 250.773 2.652 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccccc1Cl)C2 ZINC000903850887 621455845 /nfs/dbraw/zinc/45/58/45/621455845.db2.gz ZICRVUFVFMKOQQ-AVGNSLFASA-N 2 0 280.799 2.530 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CCN1CCC[C@@]12CC[NH2+]C2 ZINC000903869898 621461177 /nfs/dbraw/zinc/46/11/77/621461177.db2.gz KIDLWHJRAJRTSQ-WMZOPIPTSA-N 2 0 270.420 2.934 20 0 CFADRP C[C@]12CSC[C@H]1C[N@H+](CCCCCCC[NH3+])C2 ZINC000903869931 621461453 /nfs/dbraw/zinc/46/14/53/621461453.db2.gz AFVXDUKCSRDMHO-KGLIPLIRSA-N 2 0 256.459 2.581 20 0 CFADRP c1c[nH]c([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903873784 621462301 /nfs/dbraw/zinc/46/23/01/621462301.db2.gz XNBYTFRVKGXODJ-HUORLRHWSA-N 2 0 259.397 2.682 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000903884553 621463685 /nfs/dbraw/zinc/46/36/85/621463685.db2.gz CHFDFBSNENFIDA-JALIKCBVSA-N 2 0 275.396 2.651 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903899844 621467766 /nfs/dbraw/zinc/46/77/66/621467766.db2.gz WQSSIVYQATXOMW-FFHGMXDLSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC(C)(C)C1 ZINC000903909352 621470978 /nfs/dbraw/zinc/47/09/78/621470978.db2.gz UGYKEEQEJPNNIG-FFHGMXDLSA-N 2 0 250.430 2.885 20 0 CFADRP FC(F)C[N@H+](CC1CCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903912889 621472449 /nfs/dbraw/zinc/47/24/49/621472449.db2.gz JPSZXISAPZXJNK-AGUYFDCRSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918371 621472847 /nfs/dbraw/zinc/47/28/47/621472847.db2.gz XVJMNTGOLMKTTP-ZZIFITQXSA-N 2 0 276.346 2.790 20 0 CFADRP [NH3+][C@@H](CNCCOc1ccc2ccccc2c1)CC(F)F ZINC000903922771 621473477 /nfs/dbraw/zinc/47/34/77/621473477.db2.gz DOBVLMDEBMPAFK-CQSZACIVSA-N 2 0 294.345 2.791 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924913 621474059 /nfs/dbraw/zinc/47/40/59/621474059.db2.gz KDTNPKQRABJTJQ-BHHCIPQWSA-N 2 0 274.383 2.933 20 0 CFADRP COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000903923341 621474126 /nfs/dbraw/zinc/47/41/26/621474126.db2.gz RANMYDTUELIQMI-AGUYFDCRSA-N 2 0 294.826 2.969 20 0 CFADRP c1ccc(N2CC[C@@H](C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903923450 621474342 /nfs/dbraw/zinc/47/43/42/621474342.db2.gz UQIYUAJNNUPLJA-OOKSDGMUSA-N 2 0 299.462 2.633 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000903939383 621474384 /nfs/dbraw/zinc/47/43/84/621474384.db2.gz ZBNGXGAONLNOTB-UHFFFAOYSA-N 2 0 292.814 2.947 20 0 CFADRP COc1ccccc1CC[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903923147 621474523 /nfs/dbraw/zinc/47/45/23/621474523.db2.gz MPCVZQPCYMHXRA-UHFFFAOYSA-N 2 0 296.414 2.673 20 0 CFADRP CC(C)COc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903938846 621474932 /nfs/dbraw/zinc/47/49/32/621474932.db2.gz MWNUONJMLPGERC-UHFFFAOYSA-N 2 0 264.413 2.938 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903925975 621475039 /nfs/dbraw/zinc/47/50/39/621475039.db2.gz QINJIUYDPPUGBM-GFCCVEGCSA-N 2 0 268.351 2.599 20 0 CFADRP FC1CCC(C[NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903932404 621476605 /nfs/dbraw/zinc/47/66/05/621476605.db2.gz QUHTXLNGYAAWOM-UHFFFAOYSA-N 2 0 276.399 2.950 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903932420 621476654 /nfs/dbraw/zinc/47/66/54/621476654.db2.gz QYKMWNOFMXOAKQ-INIZCTEOSA-N 2 0 290.451 2.873 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000903932702 621476664 /nfs/dbraw/zinc/47/66/64/621476664.db2.gz FMFSETDZAOFTQQ-GPQQEZGISA-N 2 0 292.467 2.798 20 0 CFADRP CCCOc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1 ZINC000903938949 621476826 /nfs/dbraw/zinc/47/68/26/621476826.db2.gz QSSWIWDKHWXYBY-UHFFFAOYSA-N 2 0 250.386 2.692 20 0 CFADRP CCCN(Cc1ccc(OC)cc1)C[C@H]([NH3+])CC(F)F ZINC000903933910 621477182 /nfs/dbraw/zinc/47/71/82/621477182.db2.gz ASEGFJWAGHBCAD-CYBMUJFWSA-N 2 0 286.366 2.890 20 0 CFADRP [NH3+][C@H](CC(F)F)CN1CCC2(CCSCC2)CC1 ZINC000903933904 621477233 /nfs/dbraw/zinc/47/72/33/621477233.db2.gz APHKAZODPWGEHU-LLVKDONJSA-N 2 0 278.412 2.578 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918208 621478646 /nfs/dbraw/zinc/47/86/46/621478646.db2.gz VBNCEBXKIODZNP-CQSZACIVSA-N 3 0 295.430 2.642 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC000903959132 621479597 /nfs/dbraw/zinc/47/95/97/621479597.db2.gz BBBVOPTYGPFVGB-KRWDZBQOSA-N 2 0 284.407 2.529 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000903960060 621480542 /nfs/dbraw/zinc/48/05/42/621480542.db2.gz WFSZMOHUBJBIOI-SFDCBXKLSA-N 2 0 274.383 2.791 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CCC(C)(C)[NH3+] ZINC000903940069 621481566 /nfs/dbraw/zinc/48/15/66/621481566.db2.gz VNCZTKPNYAAMLO-GFCCVEGCSA-N 2 0 252.377 2.864 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000903947938 621485651 /nfs/dbraw/zinc/48/56/51/621485651.db2.gz IZOXPEYTMVGXFG-BGHVQYPCSA-N 2 0 262.372 2.872 20 0 CFADRP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000903949161 621486329 /nfs/dbraw/zinc/48/63/29/621486329.db2.gz ZKETYCVWEDAAQC-DTJSUFBGSA-N 2 0 288.410 2.990 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903948828 621486419 /nfs/dbraw/zinc/48/64/19/621486419.db2.gz VUDXHBHGXWFNPD-AYHJJNSGSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C[C@@H]1C ZINC000903955684 621489983 /nfs/dbraw/zinc/48/99/83/621489983.db2.gz AGHXFUDMWZLBTJ-VOAKCMCISA-N 2 0 260.372 2.646 20 0 CFADRP Cc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903955346 621490518 /nfs/dbraw/zinc/49/05/18/621490518.db2.gz PMDCAULQEHRTKI-HNNXBMFYSA-N 2 0 282.378 2.946 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(Cl)c1 ZINC000903973243 621492338 /nfs/dbraw/zinc/49/23/38/621492338.db2.gz CDMZEQPXZUQFMX-DGCLKSJQSA-N 2 0 252.789 2.675 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000903974499 621492709 /nfs/dbraw/zinc/49/27/09/621492709.db2.gz PNHZAWUNOQPPEQ-CHWSQXEVSA-N 2 0 287.382 2.709 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975087 621493151 /nfs/dbraw/zinc/49/31/51/621493151.db2.gz WXXRDYQTTWSWCC-DJIMGWMZSA-N 2 0 260.425 2.843 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903976829 621493512 /nfs/dbraw/zinc/49/35/12/621493512.db2.gz CKOJEKMPABPXNN-GDBMZVCRSA-N 2 0 298.434 2.802 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903977488 621493638 /nfs/dbraw/zinc/49/36/38/621493638.db2.gz QHKQCLNMGLMTBA-VXGBXAGGSA-N 2 0 267.442 2.683 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978496 621494204 /nfs/dbraw/zinc/49/42/04/621494204.db2.gz HMHBROMPPUXQKN-GRYCIOLGSA-N 2 0 266.351 2.943 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)ccc2n1 ZINC000903979132 621494231 /nfs/dbraw/zinc/49/42/31/621494231.db2.gz WGLWXSKZMHYVFS-CXAGYDPISA-N 2 0 283.419 2.878 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000903979197 621494685 /nfs/dbraw/zinc/49/46/85/621494685.db2.gz YFRMHBRJOALRCI-NDBYEHHHSA-N 2 0 278.362 2.943 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903979257 621494938 /nfs/dbraw/zinc/49/49/38/621494938.db2.gz ZTTSDQMXBAEGAU-TZMCWYRMSA-N 2 0 280.387 2.560 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000903963975 621495728 /nfs/dbraw/zinc/49/57/28/621495728.db2.gz BUEKZHXSCJUIMH-YPMHNXCESA-N 2 0 289.810 2.833 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000903964690 621495761 /nfs/dbraw/zinc/49/57/61/621495761.db2.gz STQWJDSMXUFHJZ-MXASKKJJSA-N 2 0 258.409 2.595 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c2ccccc12 ZINC000903964290 621495825 /nfs/dbraw/zinc/49/58/25/621495825.db2.gz IBPSYPHYJIHQID-HIFRSBDPSA-N 2 0 284.403 2.794 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903966752 621496206 /nfs/dbraw/zinc/49/62/06/621496206.db2.gz BDWIFNTXFQVYAU-HYVNUMGLSA-N 2 0 260.425 2.871 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903966786 621496446 /nfs/dbraw/zinc/49/64/46/621496446.db2.gz CCRISQUVAACGQA-IPYPFGDCSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000903967358 621496460 /nfs/dbraw/zinc/49/64/60/621496460.db2.gz ICGZYWCXCCGWIV-BDAKNGLRSA-N 2 0 278.343 2.712 20 0 CFADRP F[C@H]1COc2ccccc2[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903986554 621498988 /nfs/dbraw/zinc/49/89/88/621498988.db2.gz MABHGAXNAAEXRU-CVXBXLONSA-N 2 0 290.382 2.578 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000904298286 621568081 /nfs/dbraw/zinc/56/80/81/621568081.db2.gz UTPCTOZSMRBSJJ-HRCADAONSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)[N@@H+]1CCCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904302187 621568821 /nfs/dbraw/zinc/56/88/21/621568821.db2.gz STQIHNKFEYJIRC-HNNXBMFYSA-N 2 0 269.477 2.556 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904305610 621569632 /nfs/dbraw/zinc/56/96/32/621569632.db2.gz QNMFCQBSDOQYSO-KRWDZBQOSA-N 2 0 276.424 2.695 20 0 CFADRP C[N@H+](C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000904307018 621569739 /nfs/dbraw/zinc/56/97/39/621569739.db2.gz ICWWYULXPCFIOZ-IRXDYDNUSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309440 621570205 /nfs/dbraw/zinc/57/02/05/621570205.db2.gz KZJCDNMXNYOXBQ-CALCHBBNSA-N 2 0 260.425 2.924 20 0 CFADRP CC[NH+](CC)CCN(Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313874 621571691 /nfs/dbraw/zinc/57/16/91/621571691.db2.gz MIODKLJASHGJQM-HDICACEKSA-N 2 0 289.467 2.568 20 0 CFADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904317060 621572074 /nfs/dbraw/zinc/57/20/74/621572074.db2.gz VMLTYNYDXHXIBF-BBWFWOEESA-N 2 0 258.409 2.739 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2ccccc2)CC2CCOCC2)C1 ZINC000904320834 621573331 /nfs/dbraw/zinc/57/33/31/621573331.db2.gz PUGSHPNPXTYCDN-HDICACEKSA-N 2 0 288.435 2.653 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](CSc3ccccc3)C2)C1 ZINC000904324010 621574893 /nfs/dbraw/zinc/57/48/93/621574893.db2.gz BIXSOOQDSXETPP-SOUVJXGZSA-N 2 0 276.449 2.838 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C12CCCCC2 ZINC000904324068 621575028 /nfs/dbraw/zinc/57/50/28/621575028.db2.gz TZXAOEBXALHXCC-FZKCQIBNSA-N 2 0 280.456 2.783 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000904325171 621575664 /nfs/dbraw/zinc/57/56/64/621575664.db2.gz RWJNIHDCWKYHLO-DIECFANBSA-N 2 0 258.409 2.849 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904325178 621575819 /nfs/dbraw/zinc/57/58/19/621575819.db2.gz RXASNVSVOGQADX-JKSUJKDBSA-N 2 0 283.504 2.804 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(C[C@@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904328022 621576020 /nfs/dbraw/zinc/57/60/20/621576020.db2.gz LQEPBDLICNCTIF-OWCLPIDISA-N 2 0 281.488 2.556 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1(CC)CC ZINC000904329416 621577047 /nfs/dbraw/zinc/57/70/47/621577047.db2.gz YYIBPNPDXNYUDH-LJISPDSOSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CCC[NH2+]C1 ZINC000904335686 621577477 /nfs/dbraw/zinc/57/74/77/621577477.db2.gz JLDZQTGRSRVDGP-IAGOWNOFSA-N 2 0 274.408 2.919 20 0 CFADRP C[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC12CCC2 ZINC000904345965 621579820 /nfs/dbraw/zinc/57/98/20/621579820.db2.gz NGLBKCKVOFYHLO-LSDHHAIUSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]([NH3+])c1ccc(NCc2ccc(C[NH3+])cc2)cc1 ZINC000904351070 621581007 /nfs/dbraw/zinc/58/10/07/621581007.db2.gz UOGWDNAYCNOVBR-LBPRGKRZSA-N 2 0 255.365 2.777 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1C(F)F ZINC000904354621 621581736 /nfs/dbraw/zinc/58/17/36/621581736.db2.gz HVIHFPJJOYVKDB-CYBMUJFWSA-N 2 0 284.325 2.995 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1C(F)F ZINC000904355450 621581810 /nfs/dbraw/zinc/58/18/10/621581810.db2.gz NVPHTKQWMBSKEC-LLVKDONJSA-N 2 0 272.314 2.995 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000904359152 621582167 /nfs/dbraw/zinc/58/21/67/621582167.db2.gz ZNJUCXMRNZPLEI-HRCADAONSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+]CC1CC([NH2+]CCOc2cccc3ccccc32)C1 ZINC000904360144 621582280 /nfs/dbraw/zinc/58/22/80/621582280.db2.gz IFAVARYLQRENPF-UHFFFAOYSA-N 2 0 270.376 2.546 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361144 621583032 /nfs/dbraw/zinc/58/30/32/621583032.db2.gz WLCSJSFBXQQWIP-AZHAFVHUSA-N 2 0 282.815 2.743 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC000904361228 621583212 /nfs/dbraw/zinc/58/32/12/621583212.db2.gz YPHROFFKEJMIET-QGZVFWFLSA-N 2 0 260.425 2.825 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CCc1cn2ccccc2n1 ZINC000904367450 621583925 /nfs/dbraw/zinc/58/39/25/621583925.db2.gz AXIVFSYHDGECBU-CQSZACIVSA-N 2 0 288.439 2.620 20 0 CFADRP CC(C)(C)c1cccc(OCC[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904368394 621584213 /nfs/dbraw/zinc/58/42/13/621584213.db2.gz QZWMQQYVZARSFE-OTVXOJSOSA-N 2 0 276.424 2.690 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@H]([NH3+])CCC(C)(C)C)n1 ZINC000904369578 621584229 /nfs/dbraw/zinc/58/42/29/621584229.db2.gz YLPPMNHJJBATBA-CQSZACIVSA-N 2 0 263.429 2.676 20 0 CFADRP CC(C)CC[C@H]([NH2+]C1CCN(CC[NH3+])CC1)C(C)(C)C ZINC000904366432 621585768 /nfs/dbraw/zinc/58/57/68/621585768.db2.gz KJTNLJWRPUYOEE-INIZCTEOSA-N 2 0 283.504 2.850 20 0 CFADRP [NH3+]CC1CC([NH2+]CCc2csc3ccccc23)C1 ZINC000904365294 621585989 /nfs/dbraw/zinc/58/59/89/621585989.db2.gz YMSMYVMBLOAHIM-UHFFFAOYSA-N 2 0 260.406 2.771 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904366512 621585993 /nfs/dbraw/zinc/58/59/93/621585993.db2.gz MPLZJMBMHDWNOQ-HZPDHXFCSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)C1 ZINC000904376508 621587148 /nfs/dbraw/zinc/58/71/48/621587148.db2.gz UXHVKHHHGXEYIP-ITWBUVANSA-N 2 0 286.419 2.718 20 0 CFADRP C[C@@H](C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)c1ccccc1 ZINC000904392983 621587243 /nfs/dbraw/zinc/58/72/43/621587243.db2.gz FZKAEKSLLBUTND-RDJZCZTQSA-N 2 0 288.435 2.620 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CCC[NH2+]C1 ZINC000904383827 621588196 /nfs/dbraw/zinc/58/81/96/621588196.db2.gz FIVUSIDPHJZYIO-DLBZAZTESA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CCC[NH2+]C1 ZINC000904384741 621588798 /nfs/dbraw/zinc/58/87/98/621588798.db2.gz MYBKMZVDIVJKAQ-IAGOWNOFSA-N 2 0 280.456 2.800 20 0 CFADRP Cn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(C2CCCCC2)n1 ZINC000904405785 621590157 /nfs/dbraw/zinc/59/01/57/621590157.db2.gz PMPXVKSPMUMGHP-AWEZNQCLSA-N 2 0 290.455 2.639 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405102 621590312 /nfs/dbraw/zinc/59/03/12/621590312.db2.gz CZYYOKQGVYCLRH-RDJZCZTQSA-N 2 0 260.425 2.926 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3CC[C@H](CC[NH3+])C3)ccc2O1 ZINC000904405034 621590471 /nfs/dbraw/zinc/59/04/71/621590471.db2.gz HHRYEFNCILEUQI-ZDUSSCGKSA-N 2 0 274.408 2.571 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC000904409636 621590851 /nfs/dbraw/zinc/59/08/51/621590851.db2.gz FAILDTVXADLGLO-STQMWFEESA-N 2 0 288.391 2.858 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904409403 621591064 /nfs/dbraw/zinc/59/10/64/621591064.db2.gz BCLMCPVXWQNGIO-CQSZACIVSA-N 2 0 292.423 2.655 20 0 CFADRP C[C@@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1C[NH3+] ZINC000904410043 621591574 /nfs/dbraw/zinc/59/15/74/621591574.db2.gz LTVXXUPBALZKEO-ZBFHGGJFSA-N 2 0 278.465 2.837 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)CC[C@@H]1C[NH3+] ZINC000904410143 621591698 /nfs/dbraw/zinc/59/16/98/621591698.db2.gz BHUNNBUDLMSJED-VXGBXAGGSA-N 2 0 281.469 2.857 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904410618 621591934 /nfs/dbraw/zinc/59/19/34/621591934.db2.gz DXFOJKYGEUXFDK-ZFWWWQNUSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000904411589 621592565 /nfs/dbraw/zinc/59/25/65/621592565.db2.gz NUPJNYBGFMACDW-GOEBONIOSA-N 2 0 298.434 2.504 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904410997 621592806 /nfs/dbraw/zinc/59/28/06/621592806.db2.gz IKZIKMRDZWAIKT-ZBFHGGJFSA-N 2 0 276.424 2.892 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412644 621593200 /nfs/dbraw/zinc/59/32/00/621593200.db2.gz VQNOEVHXHQCJGB-CHWSQXEVSA-N 2 0 250.361 2.551 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904412438 621593328 /nfs/dbraw/zinc/59/33/28/621593328.db2.gz SHAJDECQDMBDAU-GOEBONIOSA-N 2 0 298.434 2.802 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412854 621593571 /nfs/dbraw/zinc/59/35/71/621593571.db2.gz XVPDSMYZRSMUDZ-ZBFHGGJFSA-N 2 0 276.424 2.892 20 0 CFADRP COC(=O)CCC1([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000904433102 621595067 /nfs/dbraw/zinc/59/50/67/621595067.db2.gz KGVVEYGDXJKOTO-HUUCEWRRSA-N 2 0 296.455 2.620 20 0 CFADRP c1cc(C[NH2+]C2([C@@H]3CCCCO3)CC2)c2c(c1)C[NH2+]CC2 ZINC000904443488 621598843 /nfs/dbraw/zinc/59/88/43/621598843.db2.gz LUNKIJYYIBCIPV-KRWDZBQOSA-N 2 0 286.419 2.524 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000904442649 621598847 /nfs/dbraw/zinc/59/88/47/621598847.db2.gz DWFPCCFOPCULCN-ZENOOKHLSA-N 2 0 274.408 2.803 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1C ZINC000904445891 621599446 /nfs/dbraw/zinc/59/94/46/621599446.db2.gz UDMVNXATIGZSSP-CYBMUJFWSA-N 2 0 262.397 2.654 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000904459872 621600290 /nfs/dbraw/zinc/60/02/90/621600290.db2.gz ZHPQRTYIJWPWJQ-HNNXBMFYSA-N 2 0 290.476 2.732 20 0 CFADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1cncs1 ZINC000904469242 621601154 /nfs/dbraw/zinc/60/11/54/621601154.db2.gz KFUKIAWGJFUYBT-VIFPVBQESA-N 2 0 279.434 2.701 20 0 CFADRP C[NH2+][C@H](CO)c1cccc(-c2ccc(C[NH+](C)C)s2)c1 ZINC000904860284 621652000 /nfs/dbraw/zinc/65/20/00/621652000.db2.gz YUQYEQLPXQHKPN-OAHLLOKOSA-N 2 0 290.432 2.730 20 0 CFADRP CC[C@](O)(C[NH2+]CCCCC[NH+]1CCCC1)C(F)(F)F ZINC000905269146 621734871 /nfs/dbraw/zinc/73/48/71/621734871.db2.gz UQLKUTYRAHVBGP-ZDUSSCGKSA-N 2 0 296.377 2.546 20 0 CFADRP Cc1nc(Nc2ccccc2)cc(NC2CC[NH2+]CC2)n1 ZINC000905644974 621816986 /nfs/dbraw/zinc/81/69/86/621816986.db2.gz PAGCGXRMSZSINZ-UHFFFAOYSA-N 2 0 283.379 2.693 20 0 CFADRP CC[C@](O)(C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C(F)(F)F ZINC000905870165 621883321 /nfs/dbraw/zinc/88/33/21/621883321.db2.gz LIRSLJCTWJJGDQ-ZDUSSCGKSA-N 2 0 296.377 2.589 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000906507574 621994685 /nfs/dbraw/zinc/99/46/85/621994685.db2.gz AKTLHIJEIFAIRT-QAQDUYKDSA-N 2 0 282.387 2.845 20 0 CFADRP CCOc1cc(C[NH2+]C2CC([NH3+])C2)ccc1OCC(C)C ZINC000906508053 621995165 /nfs/dbraw/zinc/99/51/65/621995165.db2.gz JGCSMCDTHDELKY-UHFFFAOYSA-N 2 0 292.423 2.699 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000906517272 621996497 /nfs/dbraw/zinc/99/64/97/621996497.db2.gz LJVFXAWDMPPTLQ-KYZUINATSA-N 2 0 289.604 2.682 20 0 CFADRP COc1ncccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000906539052 622001717 /nfs/dbraw/zinc/00/17/17/622001717.db2.gz PZSJZXWCOCNRGD-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP CC[C@@H]1c2ccsc2CCN1C[C@H](O)C[NH+]1CCCC1 ZINC000908515212 622237970 /nfs/dbraw/zinc/23/79/70/622237970.db2.gz JCZJHTVTCYHVDJ-UKRRQHHQSA-N 2 0 294.464 2.514 20 0 CFADRP [NH3+]Cc1cccc(NC(=O)CCCCC2CC[NH2+]CC2)c1 ZINC000911648826 622533653 /nfs/dbraw/zinc/53/36/53/622533653.db2.gz MLOZJMYROZMNOS-UHFFFAOYSA-N 2 0 289.423 2.644 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)C1 ZINC000924844726 622672739 /nfs/dbraw/zinc/67/27/39/622672739.db2.gz WSEBJSFAJCQKQN-ZMSDIMECSA-N 2 0 292.467 2.798 20 0 CFADRP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cs1 ZINC000820807697 622761651 /nfs/dbraw/zinc/76/16/51/622761651.db2.gz OZGYCAGRSBRDCI-LQDVMPOASA-N 2 0 262.422 2.996 20 0 CFADRP Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820842989 622772562 /nfs/dbraw/zinc/77/25/62/622772562.db2.gz ZZBIVWLWOPNCAI-GFCCVEGCSA-N 2 0 272.396 2.631 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000165072466 622979166 /nfs/dbraw/zinc/97/91/66/622979166.db2.gz JQXLXHGKCWRKSV-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000226344274 623068049 /nfs/dbraw/zinc/06/80/49/623068049.db2.gz PJEGJSPLQYKQEG-UHFFFAOYSA-N 2 0 287.451 2.866 20 0 CFADRP C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@H]1CCC[NH+](C)C1 ZINC000822634723 623139798 /nfs/dbraw/zinc/13/97/98/623139798.db2.gz KFZADECCWGVTSY-RYUDHWBXSA-N 2 0 279.255 2.844 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1F ZINC000228533447 623147225 /nfs/dbraw/zinc/14/72/25/623147225.db2.gz FWPDLODVCQEJIU-SQWLQELKSA-N 2 0 262.372 2.693 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000060942148 623167406 /nfs/dbraw/zinc/16/74/06/623167406.db2.gz AVYWVOGJLNFPRA-ZDUSSCGKSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000229059819 623180654 /nfs/dbraw/zinc/18/06/54/623180654.db2.gz UKXQVMHKPRGBSX-HZMBPMFUSA-N 2 0 252.427 2.782 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CCSCC2)c2ccccc21 ZINC000229218712 623189054 /nfs/dbraw/zinc/18/90/54/623189054.db2.gz UCMBZRDTMGWPEN-LSDHHAIUSA-N 2 0 262.422 2.864 20 0 CFADRP C[Si](C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171739265 623241123 /nfs/dbraw/zinc/24/11/23/623241123.db2.gz IDEODXWJVZMLNB-UHFFFAOYSA-N 2 0 254.494 2.672 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000062867873 623302025 /nfs/dbraw/zinc/30/20/25/623302025.db2.gz KWTOCLPYKSJTLY-DLBZAZTESA-N 2 0 258.409 2.866 20 0 CFADRP CC(C)[N@H+](C)CC1CCN(Cc2cc(F)ncc2F)CC1 ZINC000823413718 623311783 /nfs/dbraw/zinc/31/17/83/623311783.db2.gz KZKRXOKVESJPRT-UHFFFAOYSA-N 2 0 297.393 2.912 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCSC(C)(C)CC2)CC[NH2+]1 ZINC000231053037 623321011 /nfs/dbraw/zinc/32/10/11/623321011.db2.gz DLZJPSASRDMCMJ-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000823596824 623356229 /nfs/dbraw/zinc/35/62/29/623356229.db2.gz WIGBODVOLUNOSG-MSOLQXFVSA-N 2 0 288.435 2.574 20 0 CFADRP C[N@@H+](C[C@H]1CCCC2(CCC2)O1)C[C@H]1CCC[NH+](C)C1 ZINC000929700187 623516571 /nfs/dbraw/zinc/51/65/71/623516571.db2.gz XINGJTMHUBFRLV-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)CCC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000759805450 623585867 /nfs/dbraw/zinc/58/58/67/623585867.db2.gz WJSSNDYECXYKSV-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cccnc2)C[C@H]1C ZINC000929780704 623668218 /nfs/dbraw/zinc/66/82/18/623668218.db2.gz NCYXADZGROWRLY-NVXWUHKLSA-N 2 0 275.440 2.819 20 0 CFADRP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(N)n1)CC(C)C ZINC000914572013 623899564 /nfs/dbraw/zinc/89/95/64/623899564.db2.gz GFQOMDVGBLGJEL-CYBMUJFWSA-N 2 0 279.432 2.536 20 0 CFADRP CCCC[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000915228715 624002807 /nfs/dbraw/zinc/00/28/07/624002807.db2.gz WEDOHOGKPHHMNS-GOSISDBHSA-N 2 0 289.467 2.755 20 0 CFADRP FC(F)C1CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000827844842 624108774 /nfs/dbraw/zinc/10/87/74/624108774.db2.gz PECYGUOTRSLNJC-UHFFFAOYSA-N 2 0 272.383 2.742 20 0 CFADRP C(C[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089892832 624638750 /nfs/dbraw/zinc/63/87/50/624638750.db2.gz GVQSHUOKRQBJJS-GOSISDBHSA-N 2 0 293.499 2.670 20 0 CFADRP CCCOCc1ccccc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925475405 624655785 /nfs/dbraw/zinc/65/57/85/624655785.db2.gz MPIOANGATZGTAM-PBHICJAKSA-N 2 0 276.424 2.843 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCCNc2ccccn2)C[C@@H]([NH3+])C1 ZINC000925475689 624657401 /nfs/dbraw/zinc/65/74/01/624657401.db2.gz GXXGVEAUQWXTDE-CABCVRRESA-N 3 0 290.455 2.769 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921469125 624884736 /nfs/dbraw/zinc/88/47/36/624884736.db2.gz AYUICCGHBHLZOU-ZIAGYGMSSA-N 2 0 258.475 2.982 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000250537429 625133629 /nfs/dbraw/zinc/13/36/29/625133629.db2.gz ZJUVPGITDJTBNF-CVEARBPZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185761982 625773220 /nfs/dbraw/zinc/77/32/20/625773220.db2.gz ABJIPAJZYTZORL-HZPDHXFCSA-N 2 0 294.483 2.924 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCC2 ZINC000834689037 625785138 /nfs/dbraw/zinc/78/51/38/625785138.db2.gz HYNXHEVEGUDLJD-SSHXOBKSSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCC2 ZINC000834689035 625785242 /nfs/dbraw/zinc/78/52/42/625785242.db2.gz HYNXHEVEGUDLJD-FJBKBRRZSA-N 2 0 280.456 2.654 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(CC)noc1C ZINC000769873125 625932579 /nfs/dbraw/zinc/93/25/79/625932579.db2.gz OXSNIYQONOLAKF-TZMCWYRMSA-N 2 0 297.443 2.553 20 0 CFADRP CCCCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817898617 625961500 /nfs/dbraw/zinc/96/15/00/625961500.db2.gz JYQZGSXLTSVAKI-RRFJBIMHSA-N 2 0 270.461 2.935 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921559671 625989204 /nfs/dbraw/zinc/98/92/04/625989204.db2.gz XVAVXYQAFHVLIJ-SOLBZPMBSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000921561355 625989353 /nfs/dbraw/zinc/98/93/53/625989353.db2.gz DDPDVKSSYHWZFG-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000921605945 625992820 /nfs/dbraw/zinc/99/28/20/625992820.db2.gz DSDDESBCMTUDAA-UHFFFAOYSA-N 2 0 299.418 2.917 20 0 CFADRP Cc1nc(-c2ccc(NC(=O)[C@H](C)[NH+](C)C)cc2)[nH]c1C ZINC000921653249 626048906 /nfs/dbraw/zinc/04/89/06/626048906.db2.gz KGDBWYWDZXRDMS-LBPRGKRZSA-N 2 0 286.379 2.582 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921784737 626122226 /nfs/dbraw/zinc/12/22/26/626122226.db2.gz TXJVDMRMKHDQHH-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP O=c1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc[nH]1 ZINC000921821898 626146497 /nfs/dbraw/zinc/14/64/97/626146497.db2.gz GAQNHJGCYVJEGJ-UHFFFAOYSA-N 2 0 289.423 2.674 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CCCC1 ZINC000921997138 626193109 /nfs/dbraw/zinc/19/31/09/626193109.db2.gz ALVXWSLOKGFQMI-IXDOHACOSA-N 2 0 294.483 2.903 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CC2(N(C)C)CCC2)C1 ZINC000922037763 626199700 /nfs/dbraw/zinc/19/97/00/626199700.db2.gz IWTYIPUUTBGLQT-QWHCGFSZSA-N 2 0 256.459 2.735 20 0 CFADRP c1cc2c(c(C[NH2+]CC3CC[NH+](C4CC4)CC3)c1)OCC2 ZINC000922067992 626203306 /nfs/dbraw/zinc/20/33/06/626203306.db2.gz GZWFAWHYFWAFTR-UHFFFAOYSA-N 2 0 286.419 2.586 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000922069860 626203425 /nfs/dbraw/zinc/20/34/25/626203425.db2.gz RMAUTPOYDXIUOE-BRWVUGGUSA-N 2 0 292.467 2.656 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n(C2CCC2)n1 ZINC000922069312 626203513 /nfs/dbraw/zinc/20/35/13/626203513.db2.gz NKDKYGYHSZDQFI-UHFFFAOYSA-N 2 0 288.439 2.572 20 0 CFADRP Cc1nn(C)c(C[NH2+]CCCCC[NH+]2CCCC2)c1Cl ZINC000922147439 626217616 /nfs/dbraw/zinc/21/76/16/626217616.db2.gz WREYCQSKYJSLPD-UHFFFAOYSA-N 2 0 298.862 2.738 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2snnc2C)CC1 ZINC000929277904 626237640 /nfs/dbraw/zinc/23/76/40/626237640.db2.gz XKBPDIYSNOCTMG-ZDUSSCGKSA-N 2 0 296.484 2.961 20 0 CFADRP c1cc(C[NH2+]C[C@]23C[C@H]2CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000922428064 626287438 /nfs/dbraw/zinc/28/74/38/626287438.db2.gz JIPZCINQTPMZOX-PBHICJAKSA-N 2 0 282.391 2.937 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000922640898 626332471 /nfs/dbraw/zinc/33/24/71/626332471.db2.gz HJIOQQKMQNDVCV-QAPCUYQASA-N 2 0 288.435 2.797 20 0 CFADRP CCO[C@@H](CNCc1cc2c(cccc2C)[nH]1)C[NH+](C)C ZINC000922756514 626359252 /nfs/dbraw/zinc/35/92/52/626359252.db2.gz QQDFAIQKDJMBCE-HNNXBMFYSA-N 2 0 289.423 2.533 20 0 CFADRP Cc1nc(C)c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000922845777 626379585 /nfs/dbraw/zinc/37/95/85/626379585.db2.gz SYGIAFNHVFYPOK-UHFFFAOYSA-N 2 0 277.412 2.788 20 0 CFADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000922846239 626379672 /nfs/dbraw/zinc/37/96/72/626379672.db2.gz YCQOKQHHWUWEDU-UHFFFAOYSA-N 2 0 289.423 2.587 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1(C)C ZINC000922846839 626380068 /nfs/dbraw/zinc/38/00/68/626380068.db2.gz QHEAIQDCEOQMSD-PQUAAJSLSA-N 3 0 293.499 2.856 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C12CCC2 ZINC000922845158 626380812 /nfs/dbraw/zinc/38/08/12/626380812.db2.gz CDINMSZKCCGIQS-YZUHTNEWSA-N 2 0 292.467 2.941 20 0 CFADRP C[N@H+](Cc1coc(C(C)(C)C)n1)C1CCC([NH3+])CC1 ZINC000923294084 626463538 /nfs/dbraw/zinc/46/35/38/626463538.db2.gz GIZCCTWYHQUNOB-UHFFFAOYSA-N 2 0 265.401 2.674 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000923294406 626463568 /nfs/dbraw/zinc/46/35/68/626463568.db2.gz IPUSBZWWKAQJEK-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP CC[N@H+](Cc1ccc2ccccc2c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923307674 626464446 /nfs/dbraw/zinc/46/44/46/626464446.db2.gz WUTJJZSKIJXMPB-BZSNNMDCSA-N 2 0 284.403 2.512 20 0 CFADRP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1ccc(F)cc1 ZINC000923307417 626464555 /nfs/dbraw/zinc/46/45/55/626464555.db2.gz VYEHOXMNVWBEBT-XJKSGUPXSA-N 2 0 292.398 2.587 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923304220 626464692 /nfs/dbraw/zinc/46/46/92/626464692.db2.gz PJDSKNMDGGCLEK-IAGOWNOFSA-N 2 0 286.419 2.510 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CC1)CCc1cccs1 ZINC000923304334 626464711 /nfs/dbraw/zinc/46/47/11/626464711.db2.gz FPRNOBOFJXDVOF-UHFFFAOYSA-N 2 0 252.427 2.755 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304710 626464745 /nfs/dbraw/zinc/46/47/45/626464745.db2.gz RYMSXHOWVSYAKP-RDJZCZTQSA-N 2 0 286.419 2.510 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923304221 626464902 /nfs/dbraw/zinc/46/49/02/626464902.db2.gz PJDSKNMDGGCLEK-IRXDYDNUSA-N 2 0 286.419 2.510 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923304222 626465018 /nfs/dbraw/zinc/46/50/18/626465018.db2.gz PJDSKNMDGGCLEK-SJORKVTESA-N 2 0 286.419 2.510 20 0 CFADRP Fc1ccc(C[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000923315589 626465292 /nfs/dbraw/zinc/46/52/92/626465292.db2.gz JGLSGZITNQSPRJ-HNNXBMFYSA-N 2 0 276.399 2.832 20 0 CFADRP O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1)c1ccccc1 ZINC000923315752 626465405 /nfs/dbraw/zinc/46/54/05/626465405.db2.gz ZOYXEQJQYONMOE-ZWKOTPCHSA-N 2 0 288.435 2.717 20 0 CFADRP CC(C)CO[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923319091 626465459 /nfs/dbraw/zinc/46/54/59/626465459.db2.gz UKINUWZOZZMEGO-HMQMGEFJSA-N 2 0 280.456 2.654 20 0 CFADRP C([C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923309842 626465936 /nfs/dbraw/zinc/46/59/36/626465936.db2.gz VSBCBVHGZLXUQC-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP CCCCCC[C@@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000923325753 626466812 /nfs/dbraw/zinc/46/68/12/626466812.db2.gz BNWGECSJOYAURY-MRXNPFEDSA-N 2 0 270.461 2.639 20 0 CFADRP c1nc(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c[nH]1 ZINC000923325427 626466813 /nfs/dbraw/zinc/46/68/13/626466813.db2.gz UKSFWIWOKPJJHH-VHRNVKJDSA-N 2 0 288.439 2.510 20 0 CFADRP CC[N@H+](CCc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000923334440 626467021 /nfs/dbraw/zinc/46/70/21/626467021.db2.gz DDTKYLFMTRICFR-INIZCTEOSA-N 2 0 264.388 2.832 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364663 626468473 /nfs/dbraw/zinc/46/84/73/626468473.db2.gz PHGPACPCTMZTAW-YESZJQIVSA-N 2 0 282.472 2.782 20 0 CFADRP Fc1cccc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923355982 626468698 /nfs/dbraw/zinc/46/86/98/626468698.db2.gz CPLDZODRVBMTCR-INIZCTEOSA-N 2 0 276.399 2.690 20 0 CFADRP Clc1ccccc1O[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000923370901 626468953 /nfs/dbraw/zinc/46/89/53/626468953.db2.gz KRVFYIZWKZHXKP-CQSZACIVSA-N 2 0 294.826 2.935 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923361014 626469049 /nfs/dbraw/zinc/46/90/49/626469049.db2.gz GKCJRCUMXNEXBR-OKZBNKHCSA-N 2 0 294.483 2.639 20 0 CFADRP c1cc(C2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)no1 ZINC000923394833 626470507 /nfs/dbraw/zinc/47/05/07/626470507.db2.gz GCEGQDPHAMBIRU-VHRNVKJDSA-N 2 0 289.423 2.775 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923414187 626471218 /nfs/dbraw/zinc/47/12/18/626471218.db2.gz KRNBICDEBRGVDD-YCXXCVGLSA-N 2 0 293.499 2.604 20 0 CFADRP FCCC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923410456 626471296 /nfs/dbraw/zinc/47/12/96/626471296.db2.gz HYEADWFVGUGNES-MQVJKMGUSA-N 2 0 268.420 2.979 20 0 CFADRP [NH3+]C[C@@H]1Cc2ccccc2N(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923414599 626471348 /nfs/dbraw/zinc/47/13/48/626471348.db2.gz MRAJUEAVIRZWHX-WRXVUKFLSA-N 2 0 299.462 2.545 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422391 626471485 /nfs/dbraw/zinc/47/14/85/626471485.db2.gz QYRNCHYPIUHJDK-MAUKXSAKSA-N 3 0 293.499 2.748 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450175 626473894 /nfs/dbraw/zinc/47/38/94/626473894.db2.gz FGGNDZBAUWZYQU-CQSZACIVSA-N 2 0 268.445 2.643 20 0 CFADRP CC(C)(CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C1CC1 ZINC000923452924 626474072 /nfs/dbraw/zinc/47/40/72/626474072.db2.gz UFFBIMKYVVKXFL-HNNXBMFYSA-N 2 0 280.456 2.643 20 0 CFADRP CC(C)(CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C1CC1 ZINC000923452925 626474206 /nfs/dbraw/zinc/47/42/06/626474206.db2.gz UFFBIMKYVVKXFL-OAHLLOKOSA-N 2 0 280.456 2.643 20 0 CFADRP Cc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)sc1C(C)(C)C ZINC000923478827 626475956 /nfs/dbraw/zinc/47/59/56/626475956.db2.gz HXBZYXAXYVFISQ-GFCCVEGCSA-N 2 0 281.469 2.920 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000923481909 626476251 /nfs/dbraw/zinc/47/62/51/626476251.db2.gz VAERERJYZHMGBV-NSHDSACASA-N 2 0 286.778 2.529 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495305 626476353 /nfs/dbraw/zinc/47/63/53/626476353.db2.gz AIDWRUXYMZQXBA-UPJWGTAASA-N 2 0 250.361 2.803 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000923482049 626476360 /nfs/dbraw/zinc/47/63/60/626476360.db2.gz XHMXWNLYAPYOFQ-LBPRGKRZSA-N 2 0 268.351 2.568 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1Cl ZINC000923495870 626476454 /nfs/dbraw/zinc/47/64/54/626476454.db2.gz DSTSADPABIUXQG-WCQYABFASA-N 2 0 282.815 2.765 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923496412 626476473 /nfs/dbraw/zinc/47/64/73/626476473.db2.gz IAUZGYOFTODYOL-DGCLKSJQSA-N 2 0 284.350 2.705 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923493826 626476649 /nfs/dbraw/zinc/47/66/49/626476649.db2.gz IQYXGAAZUXLMMX-KBPBESRZSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923492891 626476808 /nfs/dbraw/zinc/47/68/08/626476808.db2.gz ZBAAUKLHLOEZOS-WDEREUQCSA-N 2 0 287.329 2.517 20 0 CFADRP C(C1CCC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503330 626476834 /nfs/dbraw/zinc/47/68/34/626476834.db2.gz JIJRCIALSYMMNQ-HNNXBMFYSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC000923502039 626476839 /nfs/dbraw/zinc/47/68/39/626476839.db2.gz WHXXCILAQNGNTO-NWDGAFQWSA-N 2 0 275.421 2.713 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923496813 626477130 /nfs/dbraw/zinc/47/71/30/626477130.db2.gz JORWSJJFONVMCR-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496959 626477157 /nfs/dbraw/zinc/47/71/57/626477157.db2.gz KPMUYLIPCGQZRC-WOPDTQHZSA-N 2 0 268.351 2.943 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498938 626477262 /nfs/dbraw/zinc/47/72/62/626477262.db2.gz QXACRYPEMWTJRQ-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC000923500604 626477395 /nfs/dbraw/zinc/47/73/95/626477395.db2.gz WDXSZICAXQZFNS-QWRGUYRKSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499348 626477410 /nfs/dbraw/zinc/47/74/10/626477410.db2.gz SCRRQRONTKCWET-DYEKYZERSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC000923500609 626477445 /nfs/dbraw/zinc/47/74/45/626477445.db2.gz WEFUNNKATDWWIJ-MNOVXSKESA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC000923504874 626477604 /nfs/dbraw/zinc/47/76/04/626477604.db2.gz VFGHJJNWDFPSNS-VXGBXAGGSA-N 2 0 297.240 2.866 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923503959 626477612 /nfs/dbraw/zinc/47/76/12/626477612.db2.gz MYCHSEYGRNESRW-HZPDHXFCSA-N 2 0 276.424 2.599 20 0 CFADRP COCCCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504599 626477621 /nfs/dbraw/zinc/47/76/21/626477621.db2.gz BEZYRCZYZQJIHW-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923501176 626477640 /nfs/dbraw/zinc/47/76/40/626477640.db2.gz ZNBCVZAZSIDRNF-GDBMZVCRSA-N 2 0 276.424 2.545 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)CC[C@@H]1C[NH3+] ZINC000923501344 626477647 /nfs/dbraw/zinc/47/76/47/626477647.db2.gz QSJOUFHWVDZTNI-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP Cc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506571 626477836 /nfs/dbraw/zinc/47/78/36/626477836.db2.gz KVRSJIANYXICAH-INIZCTEOSA-N 2 0 287.451 2.992 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)ccn1 ZINC000923507134 626477930 /nfs/dbraw/zinc/47/79/30/626477930.db2.gz OAJVNYXERYGTSL-KRWDZBQOSA-N 2 0 287.451 2.992 20 0 CFADRP C(=C\[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)\c1ccccc1 ZINC000923525976 626478629 /nfs/dbraw/zinc/47/86/29/626478629.db2.gz MBPUUCOWGOSDRO-VTFYZGIISA-N 2 0 298.430 2.685 20 0 CFADRP Fc1cccc(CCCN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923536549 626479050 /nfs/dbraw/zinc/47/90/50/626479050.db2.gz PHNWRVNEWDRFDP-QGZVFWFLSA-N 2 0 276.399 2.976 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC(C)(C)CC(=O)OCC)CC1 ZINC000838805714 626505999 /nfs/dbraw/zinc/50/59/99/626505999.db2.gz ALDDFRQPYNWHSV-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000838811635 626507387 /nfs/dbraw/zinc/50/73/87/626507387.db2.gz VBNZWSCTIAGYBQ-UHFFFAOYSA-N 2 0 293.411 2.569 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000838908642 626513279 /nfs/dbraw/zinc/51/32/79/626513279.db2.gz ZFGBYKJVLTVPBF-OAHLLOKOSA-N 2 0 298.471 2.677 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000839009529 626520105 /nfs/dbraw/zinc/52/01/05/626520105.db2.gz XOAFQOFFWJFRPE-HNNXBMFYSA-N 2 0 298.471 2.820 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC000757888491 626566953 /nfs/dbraw/zinc/56/69/53/626566953.db2.gz UAFIKKIESYGRCZ-UHFFFAOYSA-N 2 0 283.419 2.818 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC000759976928 626706483 /nfs/dbraw/zinc/70/64/83/626706483.db2.gz NAVTZUTVDGCUJZ-CYBMUJFWSA-N 2 0 252.427 2.707 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760840770 626776508 /nfs/dbraw/zinc/77/65/08/626776508.db2.gz OSFFREOBIRITSV-QZTJIDSGSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000764774328 627093613 /nfs/dbraw/zinc/09/36/13/627093613.db2.gz OKQJKROLMZNPOO-CYBMUJFWSA-N 2 0 262.397 2.675 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2F)CC[N@@H+]1C ZINC000764924558 627106424 /nfs/dbraw/zinc/10/64/24/627106424.db2.gz CCDPMLPIXUGKLG-KBPBESRZSA-N 2 0 280.387 2.667 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765250081 627126461 /nfs/dbraw/zinc/12/64/61/627126461.db2.gz BAVGPXBRIHDSIM-FUHWJXTLSA-N 2 0 290.451 2.708 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccc3c(c2)COC3)C1 ZINC000769502904 627448422 /nfs/dbraw/zinc/44/84/22/627448422.db2.gz FAIIRYSPCAWISJ-INIZCTEOSA-N 2 0 288.435 2.881 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(CC)noc1C ZINC000769873121 627483242 /nfs/dbraw/zinc/48/32/42/627483242.db2.gz OXSNIYQONOLAKF-JSGCOSHPSA-N 2 0 297.443 2.553 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000810002482 627490459 /nfs/dbraw/zinc/49/04/59/627490459.db2.gz YKUDEAFOHLVQFR-UHFFFAOYSA-N 2 0 277.412 2.599 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccnn1C ZINC000774218786 627904530 /nfs/dbraw/zinc/90/45/30/627904530.db2.gz PMTIEFCKMJLAQA-QQFBHYJXSA-N 2 0 290.455 2.868 20 0 CFADRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000774258831 627909441 /nfs/dbraw/zinc/90/94/41/627909441.db2.gz TUBFWYWUCLFGGQ-MQVJKMGUSA-N 2 0 274.408 2.718 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000774845302 627970283 /nfs/dbraw/zinc/97/02/83/627970283.db2.gz FKULBSOIHDVOAW-MRXNPFEDSA-N 2 0 266.429 2.731 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775366492 628016428 /nfs/dbraw/zinc/01/64/28/628016428.db2.gz XLDURFPUFBIKRC-JHJVBQTASA-N 2 0 288.526 2.543 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCC1 ZINC000852007390 634625883 /nfs/dbraw/zinc/62/58/83/634625883.db2.gz MUYJMEBZSYASAM-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)C1 ZINC000776161060 628109087 /nfs/dbraw/zinc/10/90/87/628109087.db2.gz SNGRWIVGQHYUJA-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCC1 ZINC000852007024 634625302 /nfs/dbraw/zinc/62/53/02/634625302.db2.gz ISSXMVTWYZYPGS-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000777315112 628214104 /nfs/dbraw/zinc/21/41/04/628214104.db2.gz NHZOFMSVSJNHTN-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC000777596173 628239249 /nfs/dbraw/zinc/23/92/49/628239249.db2.gz KYLREKPVPDSJCU-MRXNPFEDSA-N 2 0 264.388 2.930 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000779342674 628375692 /nfs/dbraw/zinc/37/56/92/628375692.db2.gz VLKGKOLXNJMMNX-MRXNPFEDSA-N 2 0 290.451 2.923 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000780289666 628451209 /nfs/dbraw/zinc/45/12/09/628451209.db2.gz PNCQVQXFCVDLGN-NVXWUHKLSA-N 2 0 272.436 2.990 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC000780294046 628452047 /nfs/dbraw/zinc/45/20/47/628452047.db2.gz MHHIXXGKXHNNMQ-WBVHZDCISA-N 2 0 272.436 2.990 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000783222040 628688061 /nfs/dbraw/zinc/68/80/61/628688061.db2.gz FOBBIICCGHPFFA-HDMKZQKVSA-N 2 0 288.435 2.795 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000783518288 628715796 /nfs/dbraw/zinc/71/57/96/628715796.db2.gz KMAMGEAWOGRDDA-RUXDESIVSA-N 2 0 256.459 2.592 20 0 CFADRP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000787338089 629007950 /nfs/dbraw/zinc/00/79/50/629007950.db2.gz YOUJPQGKSZGFHD-KRWDZBQOSA-N 2 0 294.483 2.880 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000787340098 629008007 /nfs/dbraw/zinc/00/80/07/629008007.db2.gz GBEINADOPCOCJK-MRXNPFEDSA-N 2 0 282.472 2.735 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000788479795 629072990 /nfs/dbraw/zinc/07/29/90/629072990.db2.gz CCRQICUIYAMLTM-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](c2ccccc2)CO1 ZINC000788482634 629073820 /nfs/dbraw/zinc/07/38/20/629073820.db2.gz ODMPSOICROGQPK-QAPCUYQASA-N 2 0 288.435 2.790 20 0 CFADRP CC(C)c1nnc(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000796794225 629968465 /nfs/dbraw/zinc/96/84/65/629968465.db2.gz ZMVGYHVIRZHJIK-UHFFFAOYSA-N 2 0 282.457 2.624 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000797060346 630011342 /nfs/dbraw/zinc/01/13/42/630011342.db2.gz LXHCWJDOCUVUSD-DZOHQFGASA-N 2 0 288.435 2.633 20 0 CFADRP Cc1ccc([C@@H](O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000797063157 630012001 /nfs/dbraw/zinc/01/20/01/630012001.db2.gz RNNVSJYHOMYVAQ-YJBOKZPZSA-N 2 0 290.451 2.879 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000798182366 630161530 /nfs/dbraw/zinc/16/15/30/630161530.db2.gz HUDSSECMGWDCEC-HNNXBMFYSA-N 2 0 294.826 2.843 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC000799176762 630283177 /nfs/dbraw/zinc/28/31/77/630283177.db2.gz CHLVBYCASPQULH-QGZVFWFLSA-N 2 0 288.435 2.528 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178630 630283940 /nfs/dbraw/zinc/28/39/40/630283940.db2.gz ZCBIOXCBZHRBHO-HNNXBMFYSA-N 2 0 273.424 2.950 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCCOC(C)(C)C)C2)CC1 ZINC000799179268 630284202 /nfs/dbraw/zinc/28/42/02/630284202.db2.gz GVXUUOLTUFJBHL-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCC(C2CCCCC2)CC1 ZINC000852744505 634819362 /nfs/dbraw/zinc/81/93/62/634819362.db2.gz CATOVKIHBZYYHO-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCCCC1 ZINC000852745202 634820860 /nfs/dbraw/zinc/82/08/60/634820860.db2.gz QCLUPBVOQKVNSB-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP CO[C@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC000852747032 634822008 /nfs/dbraw/zinc/82/20/08/634822008.db2.gz VPEAOLHAIIKQES-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)n1 ZINC000852748768 634823245 /nfs/dbraw/zinc/82/32/45/634823245.db2.gz CXUXRIWYUUQXRB-AWEZNQCLSA-N 2 0 293.842 2.865 20 0 CFADRP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000806132166 630771552 /nfs/dbraw/zinc/77/15/52/630771552.db2.gz ROHHXFAYRDCHFG-SMDDNHRTSA-N 2 0 291.826 2.796 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126710 630804630 /nfs/dbraw/zinc/80/46/30/630804630.db2.gz VHIIHFINSASUFQ-QWHCGFSZSA-N 2 0 279.815 2.557 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(C)c1OC(F)F ZINC000841032666 631313517 /nfs/dbraw/zinc/31/35/17/631313517.db2.gz IUILYIKLNNVAQO-CYBMUJFWSA-N 2 0 298.377 2.994 20 0 CFADRP Cc1ccccc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841037278 631316161 /nfs/dbraw/zinc/31/61/61/631316161.db2.gz WEUPGFQMPDSRMF-UHFFFAOYSA-N 2 0 254.377 2.786 20 0 CFADRP CC1(C[NH2+]Cc2cnc3ccccc3c2)CC[NH2+]CC1 ZINC000841057441 631323876 /nfs/dbraw/zinc/32/38/76/631323876.db2.gz MUQXVAVQZILBMP-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000841057071 631323883 /nfs/dbraw/zinc/32/38/83/631323883.db2.gz HKOOTDZKQJINSS-FUHWJXTLSA-N 2 0 293.499 2.891 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)cnc1Cl ZINC000841058607 631326096 /nfs/dbraw/zinc/32/60/96/631326096.db2.gz YXUPCVLLQRBBMH-UHFFFAOYSA-N 2 0 267.804 2.523 20 0 CFADRP C[C@H]1[NH2+]CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841064597 631327692 /nfs/dbraw/zinc/32/76/92/631327692.db2.gz ZMVMQVBFIVGODI-CRAIPNDOSA-N 2 0 293.499 2.761 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000841068195 631328991 /nfs/dbraw/zinc/32/89/91/631328991.db2.gz KPDGTTYUASIOLA-OAHLLOKOSA-N 2 0 270.461 2.951 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H](C)CCC[NH3+])cc1C ZINC000841079010 631332838 /nfs/dbraw/zinc/33/28/38/631332838.db2.gz HYSVOAMYXQBKMT-ZDUSSCGKSA-N 2 0 250.386 2.529 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000841084132 631333731 /nfs/dbraw/zinc/33/37/31/631333731.db2.gz GYTFQEDGFYUNRD-GWCFXTLKSA-N 2 0 268.788 2.566 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNc1cc(C)[nH+]c(N)n1 ZINC000043533545 650018742 /nfs/dbraw/zinc/01/87/42/650018742.db2.gz NGENCRYFLZNOBW-UHFFFAOYSA-N 2 0 299.422 2.821 20 0 CFADRP Cc1cc(NCc2ccccc2C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000043533574 650018415 /nfs/dbraw/zinc/01/84/15/650018415.db2.gz MZRVIQQEMOMDEG-UHFFFAOYSA-N 2 0 297.406 2.575 20 0 CFADRP CC[C@@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)[NH+](CC)CC ZINC000840234491 631583337 /nfs/dbraw/zinc/58/33/37/631583337.db2.gz BHNBZCALSLZLCA-GJZGRUSLSA-N 2 0 284.444 2.524 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000842472147 631639266 /nfs/dbraw/zinc/63/92/66/631639266.db2.gz SJJYINYPBJVQGE-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000842688444 631707332 /nfs/dbraw/zinc/70/73/32/631707332.db2.gz NYHACNXLJDKNRD-CIDNJEQPSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@H+](Cc1cccc2c1OC(F)(F)O2)C1CCC([NH3+])CC1 ZINC000843055283 631818506 /nfs/dbraw/zinc/81/85/06/631818506.db2.gz VWEUZBBJILSLOO-UHFFFAOYSA-N 2 0 298.333 2.710 20 0 CFADRP Cc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cnc1Cl ZINC000843055520 631818743 /nfs/dbraw/zinc/81/87/43/631818743.db2.gz FDABIARXIIPDFF-UHFFFAOYSA-N 2 0 267.804 2.745 20 0 CFADRP CCN(CC)c1ncc(C[N@H+](C)C2CCC([NH3+])CC2)s1 ZINC000843055823 631819063 /nfs/dbraw/zinc/81/90/63/631819063.db2.gz PJQBVCUKXOZIHI-UHFFFAOYSA-N 2 0 296.484 2.691 20 0 CFADRP CC(C)c1cnc(C[N@H+](C)C2CCC([NH3+])CC2)s1 ZINC000843054859 631819214 /nfs/dbraw/zinc/81/92/14/631819214.db2.gz LDGHAUWBHDYLJB-UHFFFAOYSA-N 2 0 267.442 2.968 20 0 CFADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000843060574 631823775 /nfs/dbraw/zinc/82/37/75/631823775.db2.gz ZQUCXJQWGGOYFX-CGTJXYLNSA-N 2 0 288.435 2.574 20 0 CFADRP CC(C)([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000843064221 631824425 /nfs/dbraw/zinc/82/44/25/631824425.db2.gz FVTXMESZVPEQBB-UHFFFAOYSA-N 2 0 250.361 2.650 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000843104124 631835921 /nfs/dbraw/zinc/83/59/21/631835921.db2.gz GHBPQKLVQRLYIV-UHFFFAOYSA-N 2 0 288.420 2.565 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000843105105 631836866 /nfs/dbraw/zinc/83/68/66/631836866.db2.gz QEMNELUFSJSLAF-UHFFFAOYSA-N 2 0 284.407 2.745 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000843126506 631844943 /nfs/dbraw/zinc/84/49/43/631844943.db2.gz HNBCPCPXUDZIKC-UHFFFAOYSA-N 2 0 253.415 2.629 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000843126218 631845403 /nfs/dbraw/zinc/84/54/03/631845403.db2.gz DGCGPYDFNDHOJE-UHFFFAOYSA-N 2 0 273.380 2.950 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000843127332 631846794 /nfs/dbraw/zinc/84/67/94/631846794.db2.gz PUYMFTGNGOBRIJ-LSDHHAIUSA-N 2 0 293.842 2.947 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000843127319 631846903 /nfs/dbraw/zinc/84/69/03/631846903.db2.gz PUYMFTGNGOBRIJ-CABCVRRESA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1scnc1C1CC1 ZINC000843130179 631849056 /nfs/dbraw/zinc/84/90/56/631849056.db2.gz ZLPSOGSHOHOSMW-UHFFFAOYSA-N 2 0 253.415 2.629 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843339965 631930081 /nfs/dbraw/zinc/93/00/81/631930081.db2.gz GEAGVWOUJJLBSL-FQKPHLNHSA-N 2 0 294.464 2.538 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000843341078 631931328 /nfs/dbraw/zinc/93/13/28/631931328.db2.gz YZCWBTQALHIVCF-LPWJVIDDSA-N 2 0 291.266 2.938 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCCCC[NH3+])C1 ZINC000843341203 631931397 /nfs/dbraw/zinc/93/13/97/631931397.db2.gz HJGQQJBVHWRVJW-LSDHHAIUSA-N 2 0 278.444 2.555 20 0 CFADRP C[N@H+](CCCCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000843354947 631935648 /nfs/dbraw/zinc/93/56/48/631935648.db2.gz MXRLVDFASVCZHK-UHFFFAOYSA-N 2 0 252.324 2.921 20 0 CFADRP COc1cccc(CCC[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843355749 631936171 /nfs/dbraw/zinc/93/61/71/631936171.db2.gz WKIFMLBQJPCTJF-UHFFFAOYSA-N 2 0 276.424 2.830 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000843387003 631942440 /nfs/dbraw/zinc/94/24/40/631942440.db2.gz PSBQMYDSPRQHKR-UONOGXRCSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387910 631943822 /nfs/dbraw/zinc/94/38/22/631943822.db2.gz YGDMWAPELKYBMQ-DLBZAZTESA-N 3 0 281.488 2.607 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]C2CC(C(F)F)C2)[C@H](c2ccccc2)C1 ZINC000843427245 631955536 /nfs/dbraw/zinc/95/55/36/631955536.db2.gz WVRYKXQFTXFDHP-KNIAUWFNSA-N 2 0 294.389 2.965 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)CCCC[NH+]2CCCC2)c1 ZINC000844162746 632130486 /nfs/dbraw/zinc/13/04/86/632130486.db2.gz BCIMFDYPGOGCAZ-UHFFFAOYSA-N 2 0 289.423 2.611 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000844189774 632132370 /nfs/dbraw/zinc/13/23/70/632132370.db2.gz SSXMJABOJWUMNC-UHFFFAOYSA-N 2 0 295.402 2.591 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])CC[C@H]1CCCC[NH+]1C ZINC000844221998 632137289 /nfs/dbraw/zinc/13/72/89/632137289.db2.gz ZVHQQFAGYAXYMG-MRXNPFEDSA-N 2 0 269.477 2.702 20 0 CFADRP Cc1ccc(N2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844222059 632137376 /nfs/dbraw/zinc/13/73/76/632137376.db2.gz RTJKCGKBWZBGQL-QGZVFWFLSA-N 2 0 287.451 2.507 20 0 CFADRP CCN(CC)C[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925485448 632203997 /nfs/dbraw/zinc/20/39/97/632203997.db2.gz CMSSRRVPGGFJMO-WBVHZDCISA-N 2 0 277.456 2.787 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000844922144 632336749 /nfs/dbraw/zinc/33/67/49/632336749.db2.gz BAYPWHALQGQRHV-MROQNXINSA-N 2 0 262.800 2.669 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000844922146 632337311 /nfs/dbraw/zinc/33/73/11/632337311.db2.gz BAYPWHALQGQRHV-VOAKCMCISA-N 2 0 262.800 2.669 20 0 CFADRP C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)[C@H]1CCCC[NH2+]1 ZINC000844923912 632338137 /nfs/dbraw/zinc/33/81/37/632338137.db2.gz UZCMLYOFFQOIRE-QNWHQSFQSA-N 2 0 262.800 2.811 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000925485588 632422778 /nfs/dbraw/zinc/42/27/78/632422778.db2.gz NXPSVCQVYSBUOJ-BZUAXINKSA-N 2 0 281.488 2.604 20 0 CFADRP CCCCC[C@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000816620761 632497126 /nfs/dbraw/zinc/49/71/26/632497126.db2.gz KFZCBHOLXILIMO-INIZCTEOSA-N 2 0 297.487 2.537 20 0 CFADRP FC(F)C1CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000816644694 632497235 /nfs/dbraw/zinc/49/72/35/632497235.db2.gz UIZGOAUVTWLYLT-UHFFFAOYSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000845996895 632609819 /nfs/dbraw/zinc/60/98/19/632609819.db2.gz SZKGEFULVFSDNN-OLZOCXBDSA-N 2 0 296.377 2.664 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCC[N@@H+](C)CC(C)C ZINC000845997093 632609971 /nfs/dbraw/zinc/60/99/71/632609971.db2.gz UIODYBXPIVTPOI-UHFFFAOYSA-N 2 0 277.456 2.890 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000846042782 632622441 /nfs/dbraw/zinc/62/24/41/632622441.db2.gz PNWDSVAJZGBQHG-SFHVURJKSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000846177170 632654023 /nfs/dbraw/zinc/65/40/23/632654023.db2.gz NBWZXCHNMBNHDQ-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC[N@@H+]1C ZINC000846186794 632656387 /nfs/dbraw/zinc/65/63/87/632656387.db2.gz BVIHRLMLUYXLNW-NDBYEHHHSA-N 2 0 262.800 2.763 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000846190373 632657156 /nfs/dbraw/zinc/65/71/56/632657156.db2.gz XKTJPSQQDAAHOE-JCYILVPMSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@H+](CCCCCC[NH3+])C[C@H]1COc2ccccc2O1 ZINC000846217144 632662634 /nfs/dbraw/zinc/66/26/34/632662634.db2.gz AZRVEUKHFFDFAU-HNNXBMFYSA-N 2 0 292.423 2.667 20 0 CFADRP C[C@@]1(c2ccccc2)C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846217568 632663322 /nfs/dbraw/zinc/66/33/22/632663322.db2.gz DNAZJVDPEXDUSD-KRWDZBQOSA-N 2 0 276.424 2.753 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCc1ccc(F)cc1 ZINC000846218374 632664413 /nfs/dbraw/zinc/66/44/13/632664413.db2.gz MTGRWAICWAACAH-UHFFFAOYSA-N 2 0 252.377 2.819 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CCCCCC[NH3+])CC2 ZINC000846218407 632664754 /nfs/dbraw/zinc/66/47/54/632664754.db2.gz NIIBLBNPXXJKOS-UHFFFAOYSA-N 2 0 262.397 2.572 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccn(-c2ccccc2)n1 ZINC000846218354 632664817 /nfs/dbraw/zinc/66/48/17/632664817.db2.gz MFGVSWXEJOBGTI-UHFFFAOYSA-N 2 0 286.423 2.823 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000846218677 632665044 /nfs/dbraw/zinc/66/50/44/632665044.db2.gz QWDZWTKMFNQUKR-LBPRGKRZSA-N 2 0 282.350 2.549 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000846219171 632665607 /nfs/dbraw/zinc/66/56/07/632665607.db2.gz IYWUGOAKCYINJI-NVXWUHKLSA-N 2 0 276.424 2.968 20 0 CFADRP Cc1ccccc1N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846219875 632665660 /nfs/dbraw/zinc/66/56/60/632665660.db2.gz AOJUEDVSRQTACQ-UHFFFAOYSA-N 2 0 275.440 2.636 20 0 CFADRP CO[C@]1(C)C[C@@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219555 632665666 /nfs/dbraw/zinc/66/56/66/632665666.db2.gz SKIGEDGYQAPKRN-UKRRQHHQSA-N 2 0 256.434 2.641 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]CCCCCC[NH3+])n1 ZINC000846220479 632665682 /nfs/dbraw/zinc/66/56/82/632665682.db2.gz QMCKWADBFMEAAM-UHFFFAOYSA-N 2 0 255.431 2.795 20 0 CFADRP Cc1ccccc1CN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846221814 632667087 /nfs/dbraw/zinc/66/70/87/632667087.db2.gz PRKRCEJBZJWRFC-UHFFFAOYSA-N 2 0 289.467 2.632 20 0 CFADRP CC(C)(C)CC[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000846221076 632667249 /nfs/dbraw/zinc/66/72/49/632667249.db2.gz GLOHHTHLWPBDMR-UHFFFAOYSA-N 2 0 269.477 2.559 20 0 CFADRP [NH3+]CCCCCCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000846220600 632667408 /nfs/dbraw/zinc/66/74/08/632667408.db2.gz MOJSVTLMTOHPQD-MRXNPFEDSA-N 2 0 295.858 2.805 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCCCCCC1 ZINC000817888525 632717662 /nfs/dbraw/zinc/71/76/62/632717662.db2.gz HHBPFECFWHIUTP-OAHLLOKOSA-N 2 0 256.434 2.690 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817891548 632718559 /nfs/dbraw/zinc/71/85/59/632718559.db2.gz CRZRQOWLDVNRTG-BSDSXHPESA-N 2 0 288.435 2.539 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000817893681 632719418 /nfs/dbraw/zinc/71/94/18/632719418.db2.gz UHDZTMPYBTVNHV-FZKQIMNGSA-N 2 0 299.418 2.541 20 0 CFADRP CCCCC[C@@H](C)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817894452 632719942 /nfs/dbraw/zinc/71/99/42/632719942.db2.gz ZATTVQKJFYKTFM-CABCVRRESA-N 2 0 298.471 2.866 20 0 CFADRP CCCCC[C@H](C)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817894455 632720464 /nfs/dbraw/zinc/72/04/64/632720464.db2.gz ZATTVQKJFYKTFM-LSDHHAIUSA-N 2 0 298.471 2.866 20 0 CFADRP [NH3+]C1CCC([NH2+]CCSCc2ccccc2)CC1 ZINC000817896923 632720569 /nfs/dbraw/zinc/72/05/69/632720569.db2.gz ZHDPTSHJMIWCRR-UHFFFAOYSA-N 2 0 264.438 2.779 20 0 CFADRP CC[C@H]([NH2+]CCCOc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000817898993 632722948 /nfs/dbraw/zinc/72/29/48/632722948.db2.gz MVYNXCVDCNZBOS-GJZGRUSLSA-N 2 0 280.387 2.715 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1OC ZINC000817898986 632723403 /nfs/dbraw/zinc/72/34/03/632723403.db2.gz MUFNTXLRJJSUSI-BZPMIXESSA-N 2 0 250.386 2.862 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817900925 632723915 /nfs/dbraw/zinc/72/39/15/632723915.db2.gz RGFAUEVYTVCMNJ-BFWZDYSYSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000817904555 632726761 /nfs/dbraw/zinc/72/67/61/632726761.db2.gz CWEUYQBKWMYNGW-MWODSPESSA-N 2 0 291.222 2.742 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817904615 632727151 /nfs/dbraw/zinc/72/71/51/632727151.db2.gz DWGSAQRDDVAJPK-IXKJSCDLSA-N 2 0 294.414 2.615 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904946 632727700 /nfs/dbraw/zinc/72/77/00/632727700.db2.gz IIZZREWDKIHERV-ZMYBRWDISA-N 2 0 298.430 2.851 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817907901 632728932 /nfs/dbraw/zinc/72/89/32/632728932.db2.gz ZCJMCKOWBUXWRC-HNNXBMFYSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000817907485 632729382 /nfs/dbraw/zinc/72/93/82/632729382.db2.gz PNQHQBLEWDWQIJ-WBVHZDCISA-N 2 0 276.424 2.742 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000817910603 632729894 /nfs/dbraw/zinc/72/98/94/632729894.db2.gz WLJOQXOGSITACY-OKZBNKHCSA-N 2 0 282.387 2.763 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000817910494 632729965 /nfs/dbraw/zinc/72/99/65/632729965.db2.gz UFIBQVJWLICLGG-UGSOOPFHSA-N 2 0 299.418 2.541 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817913049 632730676 /nfs/dbraw/zinc/73/06/76/632730676.db2.gz NFENKBXICGJIGR-RQJABVFESA-N 2 0 282.453 2.810 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000817912284 632731122 /nfs/dbraw/zinc/73/11/22/632731122.db2.gz FYKXNESGPCSEMB-NXHRZFHOSA-N 2 0 290.451 2.795 20 0 CFADRP Cc1ncc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000817915526 632731748 /nfs/dbraw/zinc/73/17/48/632731748.db2.gz NRXQUTQMLORAOY-TZMCWYRMSA-N 2 0 281.469 2.894 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914652 632731996 /nfs/dbraw/zinc/73/19/96/632731996.db2.gz WZONVJJUWKRHCX-IAGOWNOFSA-N 3 0 281.488 2.750 20 0 CFADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000817914223 632732040 /nfs/dbraw/zinc/73/20/40/632732040.db2.gz SUBSLMMXNCWIFW-IRXDYDNUSA-N 3 0 281.488 2.763 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000817922870 632735634 /nfs/dbraw/zinc/73/56/34/632735634.db2.gz NKUNPWPGBKZSCF-WQVCFCJDSA-N 2 0 296.842 2.655 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817922761 632735679 /nfs/dbraw/zinc/73/56/79/632735679.db2.gz LNZRHGWOZNAHEQ-SWLSCSKDSA-N 2 0 284.831 2.655 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H](O)c1ccccc1 ZINC000817926807 632737982 /nfs/dbraw/zinc/73/79/82/632737982.db2.gz AHJDMVLTHLGQIY-VDERGJSUSA-N 2 0 264.413 2.604 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817929542 632739802 /nfs/dbraw/zinc/73/98/02/632739802.db2.gz ICULTJIGRAKYGK-YPMHNXCESA-N 2 0 267.804 2.651 20 0 CFADRP CC[NH2+]CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000817943981 632746134 /nfs/dbraw/zinc/74/61/34/632746134.db2.gz UKZUNWPFVYPPBQ-UHFFFAOYSA-N 2 0 252.324 2.697 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1C ZINC000817945666 632748085 /nfs/dbraw/zinc/74/80/85/632748085.db2.gz JBBGVMFQYJTYDM-CABCVRRESA-N 2 0 276.424 2.962 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)s1 ZINC000817949901 632750054 /nfs/dbraw/zinc/75/00/54/632750054.db2.gz TYPOUUZFHMPOGF-LLVKDONJSA-N 2 0 275.421 2.804 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(CO)c1 ZINC000817949212 632750221 /nfs/dbraw/zinc/75/02/21/632750221.db2.gz NYRXEIFMBXIYEN-CQSZACIVSA-N 2 0 284.403 2.531 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949555 632750505 /nfs/dbraw/zinc/75/05/05/632750505.db2.gz RGYMOIJNYYIQSP-AWEZNQCLSA-N 2 0 283.419 2.996 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)s1 ZINC000817949903 632750919 /nfs/dbraw/zinc/75/09/19/632750919.db2.gz TYPOUUZFHMPOGF-NSHDSACASA-N 2 0 275.421 2.804 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1C ZINC000817953826 632753413 /nfs/dbraw/zinc/75/34/13/632753413.db2.gz URNPKWVTYOTWMC-QWHCGFSZSA-N 2 0 250.386 2.700 20 0 CFADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817955287 632754715 /nfs/dbraw/zinc/75/47/15/632754715.db2.gz VCBAAWABYLCMHW-KLHDSHLOSA-N 2 0 250.430 2.935 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc2c(c1)CCCO2 ZINC000817963946 632762934 /nfs/dbraw/zinc/76/29/34/632762934.db2.gz YZZZEWHQERWELC-WFASDCNBSA-N 2 0 262.397 2.647 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817964652 632763260 /nfs/dbraw/zinc/76/32/60/632763260.db2.gz HEAAQNNOHYVOKQ-LLVKDONJSA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000817964818 632763373 /nfs/dbraw/zinc/76/33/73/632763373.db2.gz KAHMVKWBZYSCIY-GFCCVEGCSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000817965577 632764446 /nfs/dbraw/zinc/76/44/46/632764446.db2.gz AKKLMZWNXLUDFA-JSGCOSHPSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000817965579 632764463 /nfs/dbraw/zinc/76/44/63/632764463.db2.gz AKKLMZWNXLUDFA-OCCSQVGLSA-N 2 0 258.475 2.886 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000817967804 632766531 /nfs/dbraw/zinc/76/65/31/632766531.db2.gz MFIOQVSYHSAYBV-CYBMUJFWSA-N 2 0 260.381 2.656 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969649 632768916 /nfs/dbraw/zinc/76/89/16/632768916.db2.gz FVJMJXOJRWKOQB-PMPSAXMXSA-N 2 0 274.408 2.932 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817969530 632768962 /nfs/dbraw/zinc/76/89/62/632768962.db2.gz WKBDRFNPDCYWMM-CVEARBPZSA-N 2 0 274.408 2.804 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000817970774 632769926 /nfs/dbraw/zinc/76/99/26/632769926.db2.gz DYPBLPDKWDBFDQ-DVOMOZLQSA-N 2 0 262.397 2.734 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC[NH2+]CC1 ZINC000817971096 632770739 /nfs/dbraw/zinc/77/07/39/632770739.db2.gz ALYPALUSKHOIEL-IXDOHACOSA-N 2 0 294.483 2.951 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000817971224 632770900 /nfs/dbraw/zinc/77/09/00/632770900.db2.gz KZCCDAIINQWYBH-WWGRRREGSA-N 2 0 292.423 2.633 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)nc1 ZINC000817976352 632774041 /nfs/dbraw/zinc/77/40/41/632774041.db2.gz KMZBMUGMTVNDQJ-PWSUYJOCSA-N 2 0 265.788 2.528 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)nc1 ZINC000817976350 632774674 /nfs/dbraw/zinc/77/46/74/632774674.db2.gz KMZBMUGMTVNDQJ-CMPLNLGQSA-N 2 0 265.788 2.528 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)nc1 ZINC000817986787 632781759 /nfs/dbraw/zinc/78/17/59/632781759.db2.gz OHOOWYQBOLUBRN-AHLTXXRQSA-N 2 0 279.815 2.774 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)nc1 ZINC000817986912 632782111 /nfs/dbraw/zinc/78/21/11/632782111.db2.gz OHOOWYQBOLUBRN-SCUASFONSA-N 2 0 279.815 2.774 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000818959069 632915675 /nfs/dbraw/zinc/91/56/75/632915675.db2.gz BYLVQTWYZQHWFL-AEFFLSMTSA-N 2 0 290.451 2.964 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000818967579 632917659 /nfs/dbraw/zinc/91/76/59/632917659.db2.gz WJPZNFUGEHWPSA-AEFFLSMTSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000818970653 632918751 /nfs/dbraw/zinc/91/87/51/632918751.db2.gz XNFBVGLJWGZLKX-YOEHRIQHSA-N 2 0 294.414 2.571 20 0 CFADRP OC1(C[NH2+]CCCCCCC[NH+]2CCCC2)CCC1 ZINC000818975602 632919736 /nfs/dbraw/zinc/91/97/36/632919736.db2.gz ZSBVGMWJHFSGGP-UHFFFAOYSA-N 2 0 268.445 2.537 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000818990371 632923724 /nfs/dbraw/zinc/92/37/24/632923724.db2.gz IUKTZKVDAQITOK-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000819058917 632946046 /nfs/dbraw/zinc/94/60/46/632946046.db2.gz DAPWSZUUWUATDE-KDOFPFPSSA-N 2 0 286.419 2.803 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000819058918 632947238 /nfs/dbraw/zinc/94/72/38/632947238.db2.gz DAPWSZUUWUATDE-KSSFIOAISA-N 2 0 286.419 2.803 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C(C)(C)C ZINC000819081994 632957103 /nfs/dbraw/zinc/95/71/03/632957103.db2.gz NALLQHNCSWUXPX-HZPDHXFCSA-N 2 0 296.430 2.815 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000819101727 632965326 /nfs/dbraw/zinc/96/53/26/632965326.db2.gz CPSDQBVZOVXNLH-WBVHZDCISA-N 2 0 292.467 2.903 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C[C@H](O)c1ccccc1)C(C)C ZINC000819125573 632975342 /nfs/dbraw/zinc/97/53/42/632975342.db2.gz KRRBXGDQJIPZSR-KRWDZBQOSA-N 2 0 278.440 2.819 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000819221266 633025813 /nfs/dbraw/zinc/02/58/13/633025813.db2.gz WNQPPQLZSAKOLE-WBMJQRKESA-N 2 0 294.826 2.613 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccccc2F)CCCC1 ZINC000819226584 633026915 /nfs/dbraw/zinc/02/69/15/633026915.db2.gz GXJLOOCFDKGEJK-MRXNPFEDSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000819231516 633029013 /nfs/dbraw/zinc/02/90/13/633029013.db2.gz XOZNCUPQTITMJB-FUHWJXTLSA-N 2 0 290.451 2.883 20 0 CFADRP CC(C)(C[NH2+]C[C@@H](O)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000819259800 633043612 /nfs/dbraw/zinc/04/36/12/633043612.db2.gz MESVTXVILRIUIS-MRXNPFEDSA-N 2 0 294.414 2.571 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000819278228 633051646 /nfs/dbraw/zinc/05/16/46/633051646.db2.gz MGRWPNAIBZJRTP-JCYILVPMSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)nc1 ZINC000848557147 633288788 /nfs/dbraw/zinc/28/87/88/633288788.db2.gz FOMOPBZEAZWZRB-WZRBSPASSA-N 2 0 267.804 2.726 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000848574580 633293727 /nfs/dbraw/zinc/29/37/27/633293727.db2.gz FXABCDFEMQACDK-WCXIOVBPSA-N 2 0 280.456 2.798 20 0 CFADRP Fc1cccc(F)c1CCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848599789 633297760 /nfs/dbraw/zinc/29/77/60/633297760.db2.gz QYTDIIFPCNJFHU-KRWDZBQOSA-N 2 0 294.389 2.973 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000848718385 633323608 /nfs/dbraw/zinc/32/36/08/633323608.db2.gz LXBJHWCOVGIKCH-IKGGRYGDSA-N 2 0 287.451 2.823 20 0 CFADRP [NH2+]=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CCC1 ZINC000848981068 633414378 /nfs/dbraw/zinc/41/43/78/633414378.db2.gz FUJJYTIFFSCSIP-UHFFFAOYSA-N 2 0 292.471 2.842 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCCCC[NH+](C)C)cc1 ZINC000848989925 633419015 /nfs/dbraw/zinc/41/90/15/633419015.db2.gz LOGYMQHIIZOFRY-UHFFFAOYSA-N 2 0 262.401 2.527 20 0 CFADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000848994023 633422045 /nfs/dbraw/zinc/42/20/45/633422045.db2.gz IKXALDZURPWUSR-UHFFFAOYSA-N 2 0 288.439 2.890 20 0 CFADRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000848996144 633451068 /nfs/dbraw/zinc/45/10/68/633451068.db2.gz GRGCRNUTWOGRII-HNNXBMFYSA-N 2 0 288.439 2.970 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000848996394 633451807 /nfs/dbraw/zinc/45/18/07/633451807.db2.gz RHUMHJUCXVJSID-LLVKDONJSA-N 2 0 296.365 2.631 20 0 CFADRP Cc1cccc(NC(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000849023125 633465087 /nfs/dbraw/zinc/46/50/87/633465087.db2.gz NUORDZCHTJXEKN-INIZCTEOSA-N 2 0 286.423 2.948 20 0 CFADRP [NH2+]=C(NCCCCC[NH+]1CCCC1)NC1CCCCC1 ZINC000849033664 633472592 /nfs/dbraw/zinc/47/25/92/633472592.db2.gz UUWQKFJLUJJGJG-UHFFFAOYSA-N 2 0 280.460 2.699 20 0 CFADRP COc1cccc(NC(=[NH2+])NCC[N@@H+]2CCCC2(C)C)c1 ZINC000849039357 633475519 /nfs/dbraw/zinc/47/55/19/633475519.db2.gz UGNNSZVBCDYZCQ-UHFFFAOYSA-N 2 0 290.411 2.506 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000849040903 633476676 /nfs/dbraw/zinc/47/66/76/633476676.db2.gz FSGQTNXVZGTTQD-HNNXBMFYSA-N 2 0 288.439 2.917 20 0 CFADRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000849048722 633480334 /nfs/dbraw/zinc/48/03/34/633480334.db2.gz ITZPEAKEHTUHOQ-OTVXOJSOSA-N 2 0 274.412 2.580 20 0 CFADRP C[C@@H]1CCCN(C(=[NH2+])NCC2([NH+](C)C)CCCCCC2)C1 ZINC000849053347 633481726 /nfs/dbraw/zinc/48/17/26/633481726.db2.gz AFFVQMJPANXNOA-OAHLLOKOSA-N 2 0 294.487 2.897 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 ZINC000849061571 633482625 /nfs/dbraw/zinc/48/26/25/633482625.db2.gz OGSZLURWMWZKQE-HUUCEWRRSA-N 2 0 282.476 2.799 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849076448 633483763 /nfs/dbraw/zinc/48/37/63/633483763.db2.gz MLVNSBLGZGRTOP-HOCLYGCPSA-N 2 0 294.487 2.944 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCO1 ZINC000849350807 633626103 /nfs/dbraw/zinc/62/61/03/633626103.db2.gz XEYWPYGAEZGMHN-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP CS[C@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850163056 633866480 /nfs/dbraw/zinc/86/64/80/633866480.db2.gz WWMNUEURZYZMMM-WFASDCNBSA-N 2 0 288.420 2.641 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850440029 633993398 /nfs/dbraw/zinc/99/33/98/633993398.db2.gz RQMSUSJEGWQHOK-AGIUHOORSA-N 2 0 262.438 2.540 20 0 CFADRP C[N@@H+]1C[C@@H](CNCc2ccnc(F)c2)[C@H](c2ccccc2)C1 ZINC000858182368 636149767 /nfs/dbraw/zinc/14/97/67/636149767.db2.gz QPRPRKKSQSBQHV-SJORKVTESA-N 2 0 299.393 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000850516565 634027039 /nfs/dbraw/zinc/02/70/39/634027039.db2.gz MQVGDUAWBSOLPU-IDHHARJASA-N 2 0 298.430 2.946 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000850516566 634027264 /nfs/dbraw/zinc/02/72/64/634027264.db2.gz MQVGDUAWBSOLPU-SIXWZSSISA-N 2 0 298.430 2.946 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2SCCS2)[C@@H](C)C1 ZINC000850570701 634055791 /nfs/dbraw/zinc/05/57/91/634055791.db2.gz ZPHJGSFFTGWPCE-NWDGAFQWSA-N 2 0 274.499 2.503 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240231 634948661 /nfs/dbraw/zinc/94/86/61/634948661.db2.gz NDFYPUVFDSKKSG-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239586 634948883 /nfs/dbraw/zinc/94/88/83/634948883.db2.gz IHAYGTGEZCCFRL-PVAVHDDUSA-N 2 0 262.441 2.887 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000854230057 635266601 /nfs/dbraw/zinc/26/66/01/635266601.db2.gz FMLUYEOXQXEARE-IUODEOHRSA-N 2 0 262.397 2.646 20 0 CFADRP CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584901 635835095 /nfs/dbraw/zinc/83/50/95/635835095.db2.gz UMORMISPHYNYLV-RHSMWYFYSA-N 2 0 291.439 2.785 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2Cl)C1 ZINC000856765677 635850467 /nfs/dbraw/zinc/85/04/67/635850467.db2.gz JVWCKZAOWOQMDD-CYBMUJFWSA-N 2 0 298.862 2.675 20 0 CFADRP c1n[nH]c2c1CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000857867769 636040824 /nfs/dbraw/zinc/04/08/24/636040824.db2.gz JREISUIXEVDJBW-OAHLLOKOSA-N 2 0 276.428 2.643 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](Cn2ccnc2)C(C)(C)C)CC1(C)C ZINC000858104719 636127092 /nfs/dbraw/zinc/12/70/92/636127092.db2.gz UTZJQBXJDXYBMX-HUUCEWRRSA-N 2 0 292.471 2.760 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)CC1(C)C ZINC000858141485 636138201 /nfs/dbraw/zinc/13/82/01/636138201.db2.gz QCHGEJDQWOTCRH-KRWDZBQOSA-N 2 0 272.436 2.864 20 0 CFADRP Cc1ccc([C@@H](CNc2cc[nH+]c(CO)c2)[NH+](C)C)cc1 ZINC000858367761 636210853 /nfs/dbraw/zinc/21/08/53/636210853.db2.gz VHAUICWZDQYQHG-QGZVFWFLSA-N 2 0 285.391 2.597 20 0 CFADRP C[C@@H](CNc1cc[nH+]c(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000858405278 636221707 /nfs/dbraw/zinc/22/17/07/636221707.db2.gz DJHDIDJDMNQRRL-AWEZNQCLSA-N 2 0 285.391 2.506 20 0 CFADRP CCO[C@@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000859213357 636506916 /nfs/dbraw/zinc/50/69/16/636506916.db2.gz MXKQHOVCONKGHL-SFHVURJKSA-N 2 0 290.451 2.995 20 0 CFADRP C[C@H](C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000859861365 636728715 /nfs/dbraw/zinc/72/87/15/636728715.db2.gz GTSRFPFXXULJCU-NVXWUHKLSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccnc1F ZINC000862353009 637327676 /nfs/dbraw/zinc/32/76/76/637327676.db2.gz QHLJKZGNZNSLHD-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP C1=CO[C@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000188574973 650337516 /nfs/dbraw/zinc/33/75/16/650337516.db2.gz NHNRTCISZNDUOR-INIZCTEOSA-N 2 0 264.413 2.676 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000863483648 637676081 /nfs/dbraw/zinc/67/60/81/637676081.db2.gz PBZYFVKTTVPGDE-MMVSWEMESA-N 2 0 264.335 2.838 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863549114 637693379 /nfs/dbraw/zinc/69/33/79/637693379.db2.gz ZYMOANOIPINPNF-UKRRQHHQSA-N 2 0 282.815 2.671 20 0 CFADRP C[C@@H]([NH3+])CN(C)CCCOc1ccc2ccccc2c1 ZINC000863567878 637697818 /nfs/dbraw/zinc/69/78/18/637697818.db2.gz GKKXMPBBHPORQI-CQSZACIVSA-N 2 0 272.392 2.888 20 0 CFADRP CCCCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863573202 637700346 /nfs/dbraw/zinc/70/03/46/637700346.db2.gz SYUMOUAPXCBHED-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1(C)C ZINC000864090140 637870627 /nfs/dbraw/zinc/87/06/27/637870627.db2.gz AVIJGSRAFAUZGL-NEPJUHHUSA-N 2 0 287.329 2.663 20 0 CFADRP CC[C@@H]1CCN(C(=[NH2+])NCCCCC[NH+]2CCCC2)C1 ZINC000864466931 637993082 /nfs/dbraw/zinc/99/30/82/637993082.db2.gz NYLRHBMMNYKTIC-OAHLLOKOSA-N 2 0 280.460 2.509 20 0 CFADRP CCC[NH+]1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865414714 638322011 /nfs/dbraw/zinc/32/20/11/638322011.db2.gz CPVZLUHIQJOSHL-UHFFFAOYSA-N 2 0 287.329 2.809 20 0 CFADRP CN(C)c1ccc(F)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000865523408 638394469 /nfs/dbraw/zinc/39/44/69/638394469.db2.gz LKZLKBHHUVXNLF-UHFFFAOYSA-N 2 0 293.430 2.713 20 0 CFADRP CN(C)c1ccc(F)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000865600589 638451268 /nfs/dbraw/zinc/45/12/68/638451268.db2.gz RDRDSEQJEBGOGR-CQSZACIVSA-N 2 0 293.430 2.713 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCSC2)CC1(C)C ZINC000865651590 638488230 /nfs/dbraw/zinc/48/82/30/638488230.db2.gz XOXFZXMNQJVKIO-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000865716606 638531829 /nfs/dbraw/zinc/53/18/29/638531829.db2.gz AZPWVEQMZJJEQI-UHFFFAOYSA-N 2 0 298.862 2.674 20 0 CFADRP COCC(C)(C)C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717115 638532901 /nfs/dbraw/zinc/53/29/01/638532901.db2.gz OWAMDZKRWPPKHF-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccccn2)(c2ccccc2)CC1 ZINC000865774680 638566254 /nfs/dbraw/zinc/56/62/54/638566254.db2.gz ZRABWPYZZCJUNY-UHFFFAOYSA-N 2 0 295.430 2.835 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1(C)C ZINC000865856688 638616553 /nfs/dbraw/zinc/61/65/53/638616553.db2.gz JXWLIXFCYHUBDM-GJZGRUSLSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865967319 638680589 /nfs/dbraw/zinc/68/05/89/638680589.db2.gz AWWMMDXYZVRXGQ-NSHDSACASA-N 2 0 287.329 2.666 20 0 CFADRP Cc1c[nH+]ccc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866055607 638716403 /nfs/dbraw/zinc/71/64/03/638716403.db2.gz ZJMQOHQCEPMJDQ-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000866248142 638779502 /nfs/dbraw/zinc/77/95/02/638779502.db2.gz LPHMOCMBEABHIW-DOTOQJQBSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866257946 638782031 /nfs/dbraw/zinc/78/20/31/638782031.db2.gz LLNOOOSFXBQELU-RDJZCZTQSA-N 2 0 277.456 2.969 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866283251 638788831 /nfs/dbraw/zinc/78/88/31/638788831.db2.gz WQMKYWZOKSEMLF-VVLHAWIVSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000866283420 638789282 /nfs/dbraw/zinc/78/92/82/638789282.db2.gz XYCPPSFCTVJKBD-DJIMGWMZSA-N 2 0 275.440 2.865 20 0 CFADRP C([NH2+][C@H](C1CCC1)[C@H]1CCCO1)C1CC[NH+](C2CC2)CC1 ZINC000866349565 638801696 /nfs/dbraw/zinc/80/16/96/638801696.db2.gz JUOBEMJTMZICSE-QZTJIDSGSA-N 2 0 292.467 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866373509 638808260 /nfs/dbraw/zinc/80/82/60/638808260.db2.gz OOOZNYWIQZGJTD-DJIMGWMZSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000866384543 638810917 /nfs/dbraw/zinc/81/09/17/638810917.db2.gz MJNMKKWTMLEBOB-BHYGNILZSA-N 2 0 260.425 2.856 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000866467748 638826091 /nfs/dbraw/zinc/82/60/91/638826091.db2.gz PAOKKCQEKPIICA-QAPCUYQASA-N 2 0 293.499 2.569 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000866468334 638826573 /nfs/dbraw/zinc/82/65/73/638826573.db2.gz FIIYJJCAJDFBRG-INIZCTEOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCO)[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000866469445 638826588 /nfs/dbraw/zinc/82/65/88/638826588.db2.gz IFZRRWZMLLTVGI-INIZCTEOSA-N 2 0 290.451 2.649 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)n(C)n1 ZINC000866468089 638826631 /nfs/dbraw/zinc/82/66/31/638826631.db2.gz AHZZGKJCQGKVDW-OAHLLOKOSA-N 2 0 292.471 2.890 20 0 CFADRP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1C ZINC000866561796 638845014 /nfs/dbraw/zinc/84/50/14/638845014.db2.gz LGJMVARNKNMUSZ-SOLBZPMBSA-N 2 0 293.499 2.856 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000866562994 638845415 /nfs/dbraw/zinc/84/54/15/638845415.db2.gz IKSWXQJUYFSELW-MANSERQUSA-N 2 0 299.462 2.636 20 0 CFADRP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)C1CC[NH+](C)CC1 ZINC000866622648 638856781 /nfs/dbraw/zinc/85/67/81/638856781.db2.gz ODZCAHVDRXVZHU-ZBFHGGJFSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)n1 ZINC000866661078 638861988 /nfs/dbraw/zinc/86/19/88/638861988.db2.gz OFQQGQADDZTMAB-UHFFFAOYSA-N 2 0 273.424 2.582 20 0 CFADRP [NH3+][C@@H]1CN(CCCC2CC2)C[C@H]1c1ccccc1F ZINC000866665313 638862739 /nfs/dbraw/zinc/86/27/39/638862739.db2.gz BEDPCRRKMWYSLT-GOEBONIOSA-N 2 0 262.372 2.742 20 0 CFADRP C(CC1CC1)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866665149 638862807 /nfs/dbraw/zinc/86/28/07/638862807.db2.gz CLXRGWNKGNAMDH-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCC(C)(C)CO1)CC[NH2+]CC2 ZINC000866667359 638863156 /nfs/dbraw/zinc/86/31/56/638863156.db2.gz KDJNZYQVXQYSOG-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)C1CC[NH2+]CC1 ZINC000866697816 638866995 /nfs/dbraw/zinc/86/69/95/638866995.db2.gz ZIHQOWGSEPGIAM-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](OC2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000866697748 638867044 /nfs/dbraw/zinc/86/70/44/638867044.db2.gz XVJJIZJVOSFDQB-DOTOQJQBSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000866699810 638867090 /nfs/dbraw/zinc/86/70/90/638867090.db2.gz NPOYZYNQWCLTOZ-UHFFFAOYSA-N 2 0 292.423 2.538 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000866703537 638868029 /nfs/dbraw/zinc/86/80/29/638868029.db2.gz JEAIKSQNQLVACC-KRWDZBQOSA-N 2 0 294.414 2.901 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705676 638868224 /nfs/dbraw/zinc/86/82/24/638868224.db2.gz GYTRWJFAZJWZIA-MRXNPFEDSA-N 2 0 279.428 2.742 20 0 CFADRP CC(C)(C)n1cc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cn1 ZINC000866705781 638868358 /nfs/dbraw/zinc/86/83/58/638868358.db2.gz AZSSETYTXYUFTL-KRWDZBQOSA-N 2 0 292.471 2.835 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866705311 638868486 /nfs/dbraw/zinc/86/84/86/638868486.db2.gz XQXPYENLIJUYBV-SFHVURJKSA-N 2 0 290.451 2.935 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CCN(Cc2ccncc2Cl)C1 ZINC000866709672 638869614 /nfs/dbraw/zinc/86/96/14/638869614.db2.gz YIDFRRPRGVNERP-HNNXBMFYSA-N 2 0 281.831 2.932 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)ccn1 ZINC000866710582 638869721 /nfs/dbraw/zinc/86/97/21/638869721.db2.gz ZKULZRHSIDCACM-MRXNPFEDSA-N 2 0 261.413 2.587 20 0 CFADRP Cc1cncc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000866720385 638870094 /nfs/dbraw/zinc/87/00/94/638870094.db2.gz KOLVLBGWENZSRR-INIZCTEOSA-N 2 0 259.397 2.527 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC000866717313 638870177 /nfs/dbraw/zinc/87/01/77/638870177.db2.gz BHIQQBJMPBPVHY-OAHLLOKOSA-N 2 0 276.424 2.874 20 0 CFADRP Cc1cncc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000866721345 638870451 /nfs/dbraw/zinc/87/04/51/638870451.db2.gz VCJAGRDTCXZOFX-NVXWUHKLSA-N 2 0 273.424 2.917 20 0 CFADRP C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000121224133 638874965 /nfs/dbraw/zinc/87/49/65/638874965.db2.gz RWBXVWDTHNSYNX-VNHYZAJKSA-N 2 0 296.480 2.880 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](C/C=C/Cl)CC1 ZINC000122061622 638930638 /nfs/dbraw/zinc/93/06/38/638930638.db2.gz OFILLSDTVPGIMO-XBXARRHUSA-N 2 0 288.863 2.809 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)CCc2cccs2)CCN1C ZINC000123124452 639642129 /nfs/dbraw/zinc/64/21/29/639642129.db2.gz HIWBSDWYARAYIN-CHWSQXEVSA-N 2 0 252.427 2.705 20 0 CFADRP Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c(C[NH+](C)C)c1 ZINC000870887178 641107390 /nfs/dbraw/zinc/10/73/90/641107390.db2.gz QIHHJHAQVXPIAC-OTVXOJSOSA-N 2 0 289.423 2.513 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(O)c2F)CC1 ZINC000872034482 641565827 /nfs/dbraw/zinc/56/58/27/641565827.db2.gz OVFPNOMHOZNTJA-LBPRGKRZSA-N 2 0 280.387 2.914 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872061731 641593082 /nfs/dbraw/zinc/59/30/82/641593082.db2.gz GOOHJQFTVZLCBL-CYBMUJFWSA-N 2 0 298.402 2.540 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000872061946 641593133 /nfs/dbraw/zinc/59/31/33/641593133.db2.gz BIPWJQYYRPESDC-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000872104976 641635693 /nfs/dbraw/zinc/63/56/93/641635693.db2.gz WEMKRBVTFARABK-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000872128450 641656838 /nfs/dbraw/zinc/65/68/38/641656838.db2.gz QTRKVOZXISURPV-CTYIDZIISA-N 2 0 296.455 2.569 20 0 CFADRP c1ccc(NC2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000872134931 641663643 /nfs/dbraw/zinc/66/36/43/641663643.db2.gz ZZWJIXGXOJZDID-FCCDEINASA-N 2 0 285.435 2.846 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000872143841 641669956 /nfs/dbraw/zinc/66/99/56/641669956.db2.gz YFTWFWPOFJLVMS-PMPSAXMXSA-N 2 0 278.440 2.552 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143365 641670702 /nfs/dbraw/zinc/67/07/02/641670702.db2.gz PZQMQGQKDGVWLU-HSFUPAIVSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000872144846 641671299 /nfs/dbraw/zinc/67/12/99/641671299.db2.gz KHGTWNNPBJQGND-TVFCKZIOSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@@H]1C[C@@H]2CCC[C@@H]2O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000872144316 641671740 /nfs/dbraw/zinc/67/17/40/641671740.db2.gz GAQZUUHSGOGCHO-MHORFTMASA-N 2 0 292.467 2.656 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000872145253 641672531 /nfs/dbraw/zinc/67/25/31/641672531.db2.gz QSORBLQLJIUVPK-DLBZAZTESA-N 2 0 292.467 2.657 20 0 CFADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155199 641675877 /nfs/dbraw/zinc/67/58/77/641675877.db2.gz NLLZAFYNARCOPV-HZPDHXFCSA-N 2 0 297.487 2.617 20 0 CFADRP CCOC(=O)CC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155918 641676709 /nfs/dbraw/zinc/67/67/09/641676709.db2.gz ANEZCXLJSOWVNN-GDBMZVCRSA-N 2 0 296.455 2.559 20 0 CFADRP Cn1cncc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158119 641678911 /nfs/dbraw/zinc/67/89/11/641678911.db2.gz TWDOHSALPHEFRJ-PBHICJAKSA-N 2 0 290.455 2.540 20 0 CFADRP CC[C@@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223412 641708815 /nfs/dbraw/zinc/70/88/15/641708815.db2.gz RJEXFJFCMNACGU-GOSISDBHSA-N 2 0 290.451 2.649 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252177 641717624 /nfs/dbraw/zinc/71/76/24/641717624.db2.gz QRCOLPJWIJTJPZ-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](OC3CCC3)CC2)CC[NH2+]1 ZINC000872255297 641718823 /nfs/dbraw/zinc/71/88/23/641718823.db2.gz AVMMLIUWOHQNJF-INMHGKMJSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254320 641719423 /nfs/dbraw/zinc/71/94/23/641719423.db2.gz ZMVNTBUPWVIBEP-NXEZZACHSA-N 2 0 252.324 2.695 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872255336 641721729 /nfs/dbraw/zinc/72/17/29/641721729.db2.gz CCSBBJCMVSLENV-ZBFHGGJFSA-N 2 0 268.445 2.783 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]cc2C2CC2)C1 ZINC000872419343 641804634 /nfs/dbraw/zinc/80/46/34/641804634.db2.gz FHJOIGWJFCDFGT-CYBMUJFWSA-N 2 0 259.397 2.525 20 0 CFADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]cc1C1CC1 ZINC000872457436 641817312 /nfs/dbraw/zinc/81/73/12/641817312.db2.gz RPUFYWSALZXLJN-ZDUSSCGKSA-N 2 0 259.397 2.737 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@H]21 ZINC000872484538 641828906 /nfs/dbraw/zinc/82/89/06/641828906.db2.gz FYUBJEWUDGRTML-GOEBONIOSA-N 2 0 271.408 2.880 20 0 CFADRP c1[nH+]cn2cc(CNc3cc[nH+]cc3C3CC3)ccc12 ZINC000872569309 641860159 /nfs/dbraw/zinc/86/01/59/641860159.db2.gz IYGUMAVTAJYFFO-UHFFFAOYSA-N 2 0 264.332 2.641 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872780597 641935044 /nfs/dbraw/zinc/93/50/44/641935044.db2.gz MKUVJDRCEBXJQB-QZTJIDSGSA-N 2 0 297.402 2.916 20 0 CFADRP Fc1ccc(F)c(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873213000 642069812 /nfs/dbraw/zinc/06/98/12/642069812.db2.gz UBUXSDZJXMYVOF-UHFFFAOYSA-N 2 0 294.370 2.962 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)sc2c1C[NH2+]CC2 ZINC000873214017 642069954 /nfs/dbraw/zinc/06/99/54/642069954.db2.gz UYDGGFZSVSAEOR-CQSZACIVSA-N 2 0 299.443 2.778 20 0 CFADRP c1c(C[N@@H+]2CC[C@H](c3cccnc3)C2)sc2c1C[NH2+]CC2 ZINC000873214016 642070397 /nfs/dbraw/zinc/07/03/97/642070397.db2.gz UYDGGFZSVSAEOR-AWEZNQCLSA-N 2 0 299.443 2.778 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873213726 642070487 /nfs/dbraw/zinc/07/04/87/642070487.db2.gz OFCYTMXJHIGVGM-LBPRGKRZSA-N 2 0 287.432 2.510 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873212898 642070682 /nfs/dbraw/zinc/07/06/82/642070682.db2.gz CBBHNWVXBUGHTO-CYBMUJFWSA-N 2 0 296.480 2.935 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000873219538 642072427 /nfs/dbraw/zinc/07/24/27/642072427.db2.gz KERJLTGUISKDMC-YZMJHREJSA-N 3 0 293.499 2.760 20 0 CFADRP [NH3+]Cc1cn(-c2cccc(C[NH2+]C3CCCCCC3)c2)nn1 ZINC000873218349 642072495 /nfs/dbraw/zinc/07/24/95/642072495.db2.gz DLMANFKRWBQYFL-UHFFFAOYSA-N 2 0 299.422 2.538 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873219696 642072979 /nfs/dbraw/zinc/07/29/79/642072979.db2.gz FFPBONZUVGSVNI-ZJUUUORDSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000873219994 642073039 /nfs/dbraw/zinc/07/30/39/642073039.db2.gz FHCIAYDJQLVTDV-DAXOMENPSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CCC2)C1CC[NH2+]CC1 ZINC000873221039 642073824 /nfs/dbraw/zinc/07/38/24/642073824.db2.gz YGLKRXWYBUJVDR-ZDUSSCGKSA-N 2 0 258.409 2.653 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000873221163 642074412 /nfs/dbraw/zinc/07/44/12/642074412.db2.gz NPDIDLSBSZFISL-LLVKDONJSA-N 2 0 252.427 2.843 20 0 CFADRP c1c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC000873222024 642074890 /nfs/dbraw/zinc/07/48/90/642074890.db2.gz XDYIICGKNAMIKB-WCQYABFASA-N 2 0 294.489 2.579 20 0 CFADRP C[C@H]([NH2+]Cc1cnc2ccccc2c1)C1CC[NH2+]CC1 ZINC000873222296 642075041 /nfs/dbraw/zinc/07/50/41/642075041.db2.gz LJUMHPRFHLZUIP-ZDUSSCGKSA-N 2 0 269.392 2.713 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221541 642075123 /nfs/dbraw/zinc/07/51/23/642075123.db2.gz WFUWYQIWUUZLCU-CYBMUJFWSA-N 2 0 299.418 2.721 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c(C)s1 ZINC000873222340 642075177 /nfs/dbraw/zinc/07/51/77/642075177.db2.gz NPDIDLSBSZFISL-NSHDSACASA-N 2 0 252.427 2.843 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222489 642076772 /nfs/dbraw/zinc/07/67/72/642076772.db2.gz WFUWYQIWUUZLCU-ZDUSSCGKSA-N 2 0 299.418 2.721 20 0 CFADRP COCCC1([NH2+]C[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000873225125 642077616 /nfs/dbraw/zinc/07/76/16/642077616.db2.gz NVXOLFFXYGCVQI-HNNXBMFYSA-N 2 0 276.424 2.538 20 0 CFADRP COCCC1([NH2+]Cc2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000873224585 642078028 /nfs/dbraw/zinc/07/80/28/642078028.db2.gz GUJGCXFFUHOGSG-UHFFFAOYSA-N 2 0 276.424 2.552 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1OC ZINC000873224208 642078630 /nfs/dbraw/zinc/07/86/30/642078630.db2.gz XOYADVBGAHRZLI-ZDUSSCGKSA-N 2 0 292.423 2.572 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1C(F)(F)F ZINC000873227672 642079944 /nfs/dbraw/zinc/07/99/44/642079944.db2.gz KRQNLCRGUILWAC-ZQDZILKHSA-N 2 0 298.352 2.859 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cnc([C@@H]2CCCO2)s1 ZINC000873231281 642084196 /nfs/dbraw/zinc/08/41/96/642084196.db2.gz CKBGFLADPVRJFS-AWEZNQCLSA-N 2 0 297.468 2.946 20 0 CFADRP Cc1ccc(CCC[N@H+](C)CCCCCC[NH3+])cn1 ZINC000873231459 642085320 /nfs/dbraw/zinc/08/53/20/642085320.db2.gz JTLKMAIXFNEYFP-UHFFFAOYSA-N 2 0 263.429 2.774 20 0 CFADRP Cc1csc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000873232936 642086930 /nfs/dbraw/zinc/08/69/30/642086930.db2.gz SFODUTFDHPORRS-ZDUSSCGKSA-N 2 0 279.453 2.854 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c2c(c1)C[NH2+]CC2 ZINC000873236625 642087725 /nfs/dbraw/zinc/08/77/25/642087725.db2.gz YPSRVIGBXBDGOG-IAGOWNOFSA-N 2 0 256.393 2.611 20 0 CFADRP CCC(CC)(C[NH2+][C@H](C)C1C[NH2+]C1)C(F)(F)F ZINC000873250882 642090067 /nfs/dbraw/zinc/09/00/67/642090067.db2.gz SYCXONPKLSDDOM-SECBINFHSA-N 2 0 252.324 2.553 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCS1 ZINC000873245098 642093486 /nfs/dbraw/zinc/09/34/86/642093486.db2.gz XCCOMOYPJARGBG-NUEKZKHPSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248714 642095992 /nfs/dbraw/zinc/09/59/92/642095992.db2.gz FAZHSDCKVVAQNS-XLNGHYISSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000873250955 642096728 /nfs/dbraw/zinc/09/67/28/642096728.db2.gz JXQIVFCKZQJDJQ-BJKJVOPESA-N 2 0 262.372 2.789 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000873249893 642096907 /nfs/dbraw/zinc/09/69/07/642096907.db2.gz NHTZZNSJXIGGAH-BHPKHCPMSA-N 2 0 292.423 2.523 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252940 642098903 /nfs/dbraw/zinc/09/89/03/642098903.db2.gz SSNSLLWDJSYBQK-FLXSYLCISA-N 2 0 292.467 2.559 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2ccccc21 ZINC000873252492 642099146 /nfs/dbraw/zinc/09/91/46/642099146.db2.gz OQDSAEVNXBIGPK-VIBAHUMZSA-N 2 0 286.419 2.784 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000873254520 642099874 /nfs/dbraw/zinc/09/98/74/642099874.db2.gz VSXILWUGHCNIJV-RBZYPMLTSA-N 2 0 250.773 2.654 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000873255141 642101005 /nfs/dbraw/zinc/10/10/05/642101005.db2.gz DVKRIRQBIZGLEI-IXPVHAAZSA-N 2 0 289.379 2.557 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000873255008 642101112 /nfs/dbraw/zinc/10/11/12/642101112.db2.gz CSMLUOXZTBOULG-KKZNHRDASA-N 2 0 256.752 2.867 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000873255243 642101119 /nfs/dbraw/zinc/10/11/19/642101119.db2.gz FGGGZMZUZMGYMX-RRCSTGOVSA-N 2 0 274.408 2.559 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CCCO2 ZINC000873255986 642101708 /nfs/dbraw/zinc/10/17/08/642101708.db2.gz KQDPAXTVFFEAMH-DZKIICNBSA-N 2 0 274.408 2.844 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255822 642101906 /nfs/dbraw/zinc/10/19/06/642101906.db2.gz ISBPCIQADNZLLA-MIGQKNRLSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000873256280 642101924 /nfs/dbraw/zinc/10/19/24/642101924.db2.gz MONJODFCAIGMOI-CKYFFXLPSA-N 2 0 250.411 2.625 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256442 642102692 /nfs/dbraw/zinc/10/26/92/642102692.db2.gz MOSMOKOAFFCMEE-BRWVUGGUSA-N 2 0 276.424 2.555 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257839 642103410 /nfs/dbraw/zinc/10/34/10/642103410.db2.gz VGRSXWXTMDLOSR-JKOKRWQUSA-N 2 0 286.341 2.963 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000873258085 642103771 /nfs/dbraw/zinc/10/37/71/642103771.db2.gz MHPGTYZMIVSTEP-WFBYXXMGSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)COC2 ZINC000873259602 642104616 /nfs/dbraw/zinc/10/46/16/642104616.db2.gz HUTHKROJOGSQAV-COCCGSRQSA-N 2 0 286.419 2.898 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259060 642104682 /nfs/dbraw/zinc/10/46/82/642104682.db2.gz YHLVMEHRASJQEJ-MJVIPROJSA-N 2 0 268.351 2.613 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000873263093 642106285 /nfs/dbraw/zinc/10/62/85/642106285.db2.gz FYTRINMTFKIBPG-ZTYXSZCMSA-N 2 0 250.430 2.931 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000873261959 642106654 /nfs/dbraw/zinc/10/66/54/642106654.db2.gz UIOCWLXIQDZRKA-UKMLZYKCSA-N 2 0 259.397 2.653 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)C1 ZINC000873265162 642107689 /nfs/dbraw/zinc/10/76/89/642107689.db2.gz USBCDAFOYXNKQM-SQNSNAQRSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@H]1CCC[C@H](C)C1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265465 642109046 /nfs/dbraw/zinc/10/90/46/642109046.db2.gz VNKZJPHKKXLIKW-LXFSFDBISA-N 2 0 250.430 2.931 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CC2 ZINC000873265629 642109202 /nfs/dbraw/zinc/10/92/02/642109202.db2.gz PGHKXDOIGHKTMR-SJKOYZFVSA-N 2 0 274.408 2.660 20 0 CFADRP CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265700 642109392 /nfs/dbraw/zinc/10/93/92/642109392.db2.gz WXHSXDLFVRTAHK-YIDVYQOGSA-N 2 0 250.430 2.931 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1F ZINC000873267233 642110284 /nfs/dbraw/zinc/11/02/84/642110284.db2.gz AADUJJOOAMAKNT-VXGBXAGGSA-N 2 0 280.387 2.873 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cnn1C(C)C ZINC000873269059 642111118 /nfs/dbraw/zinc/11/11/18/642111118.db2.gz KQXMOGBDINRWGD-OLZOCXBDSA-N 2 0 278.444 2.811 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000873269233 642111931 /nfs/dbraw/zinc/11/19/31/642111931.db2.gz NZPZLNQHLXCSLT-GHMZBOCLSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CCC1)C1CC[NH2+]CC1 ZINC000873269532 642111948 /nfs/dbraw/zinc/11/19/48/642111948.db2.gz RFCHABWOOWUXIE-CXAGYDPISA-N 2 0 273.424 2.901 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873271517 642112821 /nfs/dbraw/zinc/11/28/21/642112821.db2.gz IIBREYNPUBNDKM-NWANDNLSSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000873271925 642113534 /nfs/dbraw/zinc/11/35/34/642113534.db2.gz MGWUEBNXZBFSAM-STQMWFEESA-N 2 0 286.423 2.612 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CC[NH2+]CC1 ZINC000873272398 642113625 /nfs/dbraw/zinc/11/36/25/642113625.db2.gz RREHLMZOHBUUMD-SJCJKPOMSA-N 2 0 274.408 2.747 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873271944 642113642 /nfs/dbraw/zinc/11/36/42/642113642.db2.gz MVKYTKUSHNRVRZ-OLZOCXBDSA-N 2 0 289.423 2.684 20 0 CFADRP COCC(C)(C)CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000873280898 642117212 /nfs/dbraw/zinc/11/72/12/642117212.db2.gz DWPLWRLFGPZGLE-GOEBONIOSA-N 2 0 278.440 2.597 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873291463 642124106 /nfs/dbraw/zinc/12/41/06/642124106.db2.gz HBEQXIQXEORGSX-QXSJWSMHSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296418 642127891 /nfs/dbraw/zinc/12/78/91/642127891.db2.gz ZNRCFNVIMHGMDL-LHUBUQBQSA-N 2 0 273.424 2.607 20 0 CFADRP CCCCCC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020520238 642423907 /nfs/dbraw/zinc/42/39/07/642423907.db2.gz GKJJZKOSNJQSIA-INIZCTEOSA-N 2 0 269.477 2.572 20 0 CFADRP CCOc1cc(F)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000876576440 642931112 /nfs/dbraw/zinc/93/11/12/642931112.db2.gz LFKKKDGQRXNZRL-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)C[NH+]1CCCCC1 ZINC000876948495 643076426 /nfs/dbraw/zinc/07/64/26/643076426.db2.gz NAYFHCNGOXLJMK-RYUDHWBXSA-N 2 0 279.255 2.892 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000876963908 643085142 /nfs/dbraw/zinc/08/51/42/643085142.db2.gz KLNZHMRJXYLGPF-QWRGUYRKSA-N 2 0 265.228 2.502 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]Cc1ccns1 ZINC000876986281 643092992 /nfs/dbraw/zinc/09/29/92/643092992.db2.gz AZNMARQJXRCPNK-UHFFFAOYSA-N 2 0 255.431 2.745 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877020074 643106407 /nfs/dbraw/zinc/10/64/07/643106407.db2.gz KDYKMEVMOJOUKJ-VXGBXAGGSA-N 2 0 279.255 2.890 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000126301234 643110385 /nfs/dbraw/zinc/11/03/85/643110385.db2.gz JMFCXOOVGLPGOH-NSHDSACASA-N 2 0 267.804 2.727 20 0 CFADRP CC1(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000877055985 643124301 /nfs/dbraw/zinc/12/43/01/643124301.db2.gz UJCLOHSMLUTTPC-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089140394 650828258 /nfs/dbraw/zinc/82/82/58/650828258.db2.gz JUBOFRJHJRLXBP-OCCSQVGLSA-N 2 0 284.350 2.895 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000089146420 650828321 /nfs/dbraw/zinc/82/83/21/650828321.db2.gz BRMHMZPKCQHNFK-IINYFYTJSA-N 2 0 254.324 2.572 20 0 CFADRP CN(CC[N@H+](C)CC1(C)CCCC1)C1CC[NH+](C)CC1 ZINC000877523018 643327148 /nfs/dbraw/zinc/32/71/48/643327148.db2.gz USQVAZOHBHBHRP-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CN1CC[NH+](CC2CC[NH+](CC3(C)CCCC3)CC2)CC1 ZINC000877524926 643329414 /nfs/dbraw/zinc/32/94/14/643329414.db2.gz KXGAOXRYMMFGFM-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877568020 643366399 /nfs/dbraw/zinc/36/63/99/643366399.db2.gz DUTPDJFUWZYAST-JTQLQIEISA-N 2 0 267.244 2.890 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(F)c1N)CC2 ZINC000877683815 643452470 /nfs/dbraw/zinc/45/24/70/643452470.db2.gz JPZQXBBCWIAXAO-UHFFFAOYSA-N 2 0 291.414 2.716 20 0 CFADRP Cc1occc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684777 643453029 /nfs/dbraw/zinc/45/30/29/643453029.db2.gz XGTHCWKKASWDIP-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP COCc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000877684486 643453727 /nfs/dbraw/zinc/45/37/27/643453727.db2.gz OJRAEEIOUDPRTP-UHFFFAOYSA-N 2 0 292.423 2.734 20 0 CFADRP CO[C@](C)(C[NH2+]CCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000877698216 643460475 /nfs/dbraw/zinc/46/04/75/643460475.db2.gz VUQAXHSDJBFJAJ-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@H](C[NH2+]CCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000877698284 643460820 /nfs/dbraw/zinc/46/08/20/643460820.db2.gz WXHBLIOYMFIHPM-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CC1(F)F ZINC000877711386 643476905 /nfs/dbraw/zinc/47/69/05/643476905.db2.gz GOPFDKIYBIORBX-IGJPJIBNSA-N 2 0 260.372 2.883 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC(C)([NH+](C)C)CC1)CC(C)C ZINC000877711620 643478421 /nfs/dbraw/zinc/47/84/21/643478421.db2.gz ROLSZWPZCXFIPM-HWOWSKLDSA-N 2 0 270.461 2.900 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4ncccc34)CC[C@H]21 ZINC000877737893 643499284 /nfs/dbraw/zinc/49/92/84/643499284.db2.gz ITDPPPSZSKWFFG-MAUKXSAKSA-N 2 0 281.403 2.761 20 0 CFADRP Cc1ncc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)o1 ZINC000877767749 643546846 /nfs/dbraw/zinc/54/68/46/643546846.db2.gz VYCKGZDSQNZVPU-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP Cc1nn(C)cc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767174 643547140 /nfs/dbraw/zinc/54/71/40/643547140.db2.gz AZYLFDOADNRVDS-UHFFFAOYSA-N 2 0 292.471 2.528 20 0 CFADRP CO[C@H](C[N@H+](CC(C)C)CC1CC[NH+](C)CC1)C1CC1 ZINC000877767571 643547216 /nfs/dbraw/zinc/54/72/16/643547216.db2.gz OAGTXRVYJOVSEP-QGZVFWFLSA-N 2 0 282.472 2.711 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000877968465 643669390 /nfs/dbraw/zinc/66/93/90/643669390.db2.gz MPJLJWNVYYNZPX-SQNIBIBYSA-N 2 0 294.483 2.998 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@@H]2O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968440 643669508 /nfs/dbraw/zinc/66/95/08/643669508.db2.gz MHUFURLKUAAYJN-KURKYZTESA-N 2 0 292.467 2.752 20 0 CFADRP CCOC(CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)OCC ZINC000126844045 643695443 /nfs/dbraw/zinc/69/54/43/643695443.db2.gz UBNMVBJCEQTZNU-LSDHHAIUSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000878034692 643704137 /nfs/dbraw/zinc/70/41/37/643704137.db2.gz RHCLWFCPQVZHJY-INIZCTEOSA-N 2 0 280.456 2.893 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878047432 643711660 /nfs/dbraw/zinc/71/16/60/643711660.db2.gz GWGZNPXZWHWNED-FGTMMUONSA-N 2 0 294.483 2.996 20 0 CFADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000878106587 643738626 /nfs/dbraw/zinc/73/86/26/643738626.db2.gz IYHYYUYCKWYBIQ-OKZBNKHCSA-N 2 0 296.499 2.980 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)O1 ZINC000878123769 643748292 /nfs/dbraw/zinc/74/82/92/643748292.db2.gz FMKNXZYIPNYMJR-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878156137 643764397 /nfs/dbraw/zinc/76/43/97/643764397.db2.gz IPIUXGPCPLGXME-XWTMOSNGSA-N 2 0 292.467 2.608 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878156135 643765126 /nfs/dbraw/zinc/76/51/26/643765126.db2.gz IPIUXGPCPLGXME-XLAORIBOSA-N 2 0 292.467 2.608 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878161929 643768712 /nfs/dbraw/zinc/76/87/12/643768712.db2.gz GQHIBBKQBAAHDK-JKSUJKDBSA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC3(CCC3)O2)[C@@H](C)C1 ZINC000878258846 643811589 /nfs/dbraw/zinc/81/15/89/643811589.db2.gz VVQHNRCEPTYLTH-XHSDSOJGSA-N 2 0 280.456 2.750 20 0 CFADRP CC(C)[C@@H](O)CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314452 643835406 /nfs/dbraw/zinc/83/54/06/643835406.db2.gz OSKPELBIXGXKGU-KRWDZBQOSA-N 2 0 278.440 2.587 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878329176 643844175 /nfs/dbraw/zinc/84/41/75/643844175.db2.gz VKMCNGRJCPNQPI-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878410751 643881377 /nfs/dbraw/zinc/88/13/77/643881377.db2.gz ATJPZXQRRJDXNQ-BFYDXBDKSA-N 2 0 282.472 2.636 20 0 CFADRP C=C/C=C\CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000878447381 643899363 /nfs/dbraw/zinc/89/93/63/643899363.db2.gz MCGPKNURTIADAX-QVOWHETESA-N 2 0 280.456 2.845 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878511845 643922465 /nfs/dbraw/zinc/92/24/65/643922465.db2.gz HPZQIOLYEMSTNM-HUUCEWRRSA-N 2 0 266.429 2.504 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000878662570 643982539 /nfs/dbraw/zinc/98/25/39/643982539.db2.gz QRGFYHHSWYJJAT-CVEARBPZSA-N 2 0 278.440 2.506 20 0 CFADRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc(Cl)n1 ZINC000878863897 644054362 /nfs/dbraw/zinc/05/43/62/644054362.db2.gz JONDKAKPIJOINR-UHFFFAOYSA-N 2 0 293.842 2.961 20 0 CFADRP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)CC(C)(C)C ZINC000878994322 644103448 /nfs/dbraw/zinc/10/34/48/644103448.db2.gz WSISVGFRZQFYPB-HOCLYGCPSA-N 2 0 282.472 2.590 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CC3(CCC3)C2)CCO1 ZINC000879001087 644107823 /nfs/dbraw/zinc/10/78/23/644107823.db2.gz OXAJOAKXDJOCIG-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCOc1ccccc1)CC2 ZINC000879247440 644193717 /nfs/dbraw/zinc/19/37/17/644193717.db2.gz ADKJQLKIOWQZIU-UHFFFAOYSA-N 2 0 288.435 2.873 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(F)n1)CC2 ZINC000879250273 644194979 /nfs/dbraw/zinc/19/49/79/644194979.db2.gz BIAUVTGUNAURNY-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP C[N@H+](Cc1ccnc2ccccc12)C1CCC([NH3+])CC1 ZINC000091843921 650909592 /nfs/dbraw/zinc/90/95/92/650909592.db2.gz PRHLTDFJTSUNMS-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566714 644327501 /nfs/dbraw/zinc/32/75/01/644327501.db2.gz XBBSFKDRLOASGQ-CABCVRRESA-N 2 0 268.470 2.547 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000879572674 644328580 /nfs/dbraw/zinc/32/85/80/644328580.db2.gz IWZIVPWOBKCXRS-QZTJIDSGSA-N 2 0 272.436 2.818 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCCc3ccccc3)CC[C@H]21 ZINC000879570209 644330409 /nfs/dbraw/zinc/33/04/09/644330409.db2.gz AZDOIRXJQOZISI-DLBZAZTESA-N 2 0 258.409 2.645 20 0 CFADRP Cc1ccccc1CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879576058 644331220 /nfs/dbraw/zinc/33/12/20/644331220.db2.gz PDLQRFKBLHLDGP-QZTJIDSGSA-N 2 0 272.436 2.954 20 0 CFADRP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CCC([NH3+])CC1 ZINC000091847529 650910992 /nfs/dbraw/zinc/91/09/92/650910992.db2.gz VOMSDLJCPIRQRQ-UHFFFAOYSA-N 2 0 296.798 2.770 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580760 644335124 /nfs/dbraw/zinc/33/51/24/644335124.db2.gz KFXOLONHCRAACY-DLBZAZTESA-N 2 0 288.435 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ccccc43)CC[C@H]21 ZINC000879580004 644336524 /nfs/dbraw/zinc/33/65/24/644336524.db2.gz DAPGZFMEWVJMMN-JFIYKMOQSA-N 2 0 270.420 2.742 20 0 CFADRP C[NH+]1CCN(C2CC[NH+]([C@H]3C=CCCCCC3)CC2)CC1 ZINC000879596190 644343906 /nfs/dbraw/zinc/34/39/06/644343906.db2.gz IQZHQPIHXINOIM-KRWDZBQOSA-N 2 0 291.483 2.587 20 0 CFADRP CC(C)C[N@H+](CCc1ccncc1)CC1CC[NH+](C)CC1 ZINC000879702736 644388292 /nfs/dbraw/zinc/38/82/92/644388292.db2.gz WZIRIKUTOGJNRT-UHFFFAOYSA-N 2 0 289.467 2.924 20 0 CFADRP CO[C@H]1CC[C@@H]([NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879950761 644470356 /nfs/dbraw/zinc/47/03/56/644470356.db2.gz BPPJRQSGAQOIOI-CVEARBPZSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950926 644470431 /nfs/dbraw/zinc/47/04/31/644470431.db2.gz DPMWVPHHKDXDJX-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880200989 644578226 /nfs/dbraw/zinc/57/82/26/644578226.db2.gz FJXKDDAEDAYCAX-CBZIJGRNSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880259447 644617009 /nfs/dbraw/zinc/61/70/09/644617009.db2.gz TVTPFCMGTLJHOZ-NVXWUHKLSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261262 644618371 /nfs/dbraw/zinc/61/83/71/644618371.db2.gz HYPDUUMIMHTMKO-HUUCEWRRSA-N 2 0 282.391 2.748 20 0 CFADRP CC(CC[NH+]1CC[C@H](CF)C1)CC[N@@H+]1CC[C@H](CF)C1 ZINC000880299023 644639985 /nfs/dbraw/zinc/63/99/85/644639985.db2.gz CGENBCBEGAMJJJ-HZPDHXFCSA-N 2 0 288.426 2.986 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CCCCCn2cccn2)CC1 ZINC000880472857 644727318 /nfs/dbraw/zinc/72/73/18/644727318.db2.gz GIAIDLUMKJYZDA-UHFFFAOYSA-N 2 0 290.455 2.614 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250258171 650972959 /nfs/dbraw/zinc/97/29/59/650972959.db2.gz ROLNCZADCLAMBQ-GVDBMIGSSA-N 2 0 276.399 2.879 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250821410 650980439 /nfs/dbraw/zinc/98/04/39/650980439.db2.gz GESZRZNBXKKFNF-ICUGJSFKSA-N 2 0 291.483 2.514 20 0 CFADRP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)O2 ZINC000250837349 650980760 /nfs/dbraw/zinc/98/07/60/650980760.db2.gz CDIKIBCXPOVYEL-QBPKDAKJSA-N 2 0 286.419 2.500 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc2c1CCOC2)C[NH+]1CCCC1 ZINC000882903876 645503925 /nfs/dbraw/zinc/50/39/25/645503925.db2.gz LPNCBNVLSHQPFH-HNNXBMFYSA-N 2 0 288.435 2.581 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000252698571 651019087 /nfs/dbraw/zinc/01/90/87/651019087.db2.gz NSYKICOROIQBQM-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883134550 645619828 /nfs/dbraw/zinc/61/98/28/645619828.db2.gz BFFOXGKPLRDITQ-UHFFFAOYSA-N 2 0 292.379 2.596 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc2c1CCOC2 ZINC000883135099 645620039 /nfs/dbraw/zinc/62/00/39/645620039.db2.gz UQTQXNIFAGJFGK-UHFFFAOYSA-N 2 0 290.451 2.969 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)CC[C@H]2C)CC1 ZINC000883172278 645639330 /nfs/dbraw/zinc/63/93/30/645639330.db2.gz CCQBOYRJAHVROJ-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000883172582 645639904 /nfs/dbraw/zinc/63/99/04/645639904.db2.gz MKPZTZSZUCZVDT-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000252952246 651030494 /nfs/dbraw/zinc/03/04/94/651030494.db2.gz FOLIYWCSSMDUDE-ZOBORPQBSA-N 2 0 256.459 2.638 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883188698 645650502 /nfs/dbraw/zinc/65/05/02/645650502.db2.gz ORMGWWRKBPPJKF-HZPDHXFCSA-N 2 0 280.456 2.536 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883190973 645653353 /nfs/dbraw/zinc/65/33/53/645653353.db2.gz PCQQABSRYVMFBN-NVXWUHKLSA-N 2 0 292.467 2.800 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)[C@H]2CCC[C@H]21 ZINC000883357899 645763865 /nfs/dbraw/zinc/76/38/65/645763865.db2.gz XGTZIWWUELQDEC-XUWVNRHRSA-N 2 0 278.440 2.551 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883415695 645809761 /nfs/dbraw/zinc/80/97/61/645809761.db2.gz BZQLXWYIUOSFSW-SZMVWBNQSA-N 2 0 288.435 2.838 20 0 CFADRP C[N@H+](CCC[NH3+])C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883417665 645811629 /nfs/dbraw/zinc/81/16/29/645811629.db2.gz ITBWZDYYQFCQQR-CVEARBPZSA-N 2 0 262.397 2.577 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000883429253 645824146 /nfs/dbraw/zinc/82/41/46/645824146.db2.gz QICWWLWDZIPDBI-GJZGRUSLSA-N 2 0 277.412 2.503 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883434878 645827960 /nfs/dbraw/zinc/82/79/60/645827960.db2.gz DDKYUYUNYVHMPC-MSOLQXFVSA-N 2 0 288.435 2.968 20 0 CFADRP C[N@H+](C[C@H]1CC2(CCC2)CO1)C1(C[NH3+])CCCCC1 ZINC000883454854 645841268 /nfs/dbraw/zinc/84/12/68/645841268.db2.gz MYJZPVBFKZNCLM-CQSZACIVSA-N 2 0 266.429 2.539 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000883462178 645844297 /nfs/dbraw/zinc/84/42/97/645844297.db2.gz LMMRTZYTZVPUJN-IUODEOHRSA-N 2 0 259.397 2.521 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000135380336 646528214 /nfs/dbraw/zinc/52/82/14/646528214.db2.gz FUVXNSYTTAHXAC-BBRMVZONSA-N 2 0 269.392 2.807 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000885924359 646769489 /nfs/dbraw/zinc/76/94/89/646769489.db2.gz OBWUDAXVCFFEFQ-ZIAGYGMSSA-N 2 0 292.471 2.874 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccccc1OCC(F)F ZINC000885951974 646780264 /nfs/dbraw/zinc/78/02/64/646780264.db2.gz SSUHESMDTVTVCU-UHFFFAOYSA-N 2 0 286.366 2.762 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885955853 646782515 /nfs/dbraw/zinc/78/25/15/646782515.db2.gz CMANZLCDVVZKIX-ROUUACIJSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885983294 646795988 /nfs/dbraw/zinc/79/59/88/646795988.db2.gz CJSKHLWXNFKLOL-QZTJIDSGSA-N 2 0 294.483 2.996 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000885999734 646805104 /nfs/dbraw/zinc/80/51/04/646805104.db2.gz MAMYXFCZNGOYPQ-UHFFFAOYSA-N 2 0 281.831 2.947 20 0 CFADRP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886018572 646820759 /nfs/dbraw/zinc/82/07/59/646820759.db2.gz CUBUEVDNMDUQRJ-UAGQMJEPSA-N 2 0 262.441 2.840 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCC2(CCC2)CO1 ZINC000886019352 646820877 /nfs/dbraw/zinc/82/08/77/646820877.db2.gz RQBBWWMFWGAUCL-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP C([C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCC1 ZINC000886019166 646821571 /nfs/dbraw/zinc/82/15/71/646821571.db2.gz MWLOPGDWIGQLSZ-SJORKVTESA-N 2 0 292.467 2.753 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(CCOC2CCCCC2)C1 ZINC000886025757 646826356 /nfs/dbraw/zinc/82/63/56/646826356.db2.gz JHEVKDVPCYQOLJ-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886030628 646829408 /nfs/dbraw/zinc/82/94/08/646829408.db2.gz PUJXFLFJENNBDW-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP CCN1CCC([N@H+](C)CCOC2CCCCC2)CC1 ZINC000886030621 646829821 /nfs/dbraw/zinc/82/98/21/646829821.db2.gz PKWGAKVNPGADPC-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1C ZINC000886033570 646831469 /nfs/dbraw/zinc/83/14/69/646831469.db2.gz WXZGUEZOJWUIBV-HJWJTTGWSA-N 2 0 280.456 2.749 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000886093876 646863316 /nfs/dbraw/zinc/86/33/16/646863316.db2.gz IYFRIZGEYPFDIG-RDJZCZTQSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886100426 646871258 /nfs/dbraw/zinc/87/12/58/646871258.db2.gz NFTXYDGBIIKQTK-QZTJIDSGSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000886127739 646885929 /nfs/dbraw/zinc/88/59/29/646885929.db2.gz RDNFHAGDMFXHJP-UIBIWLFHSA-N 2 0 292.467 2.656 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000886143091 646893322 /nfs/dbraw/zinc/89/33/22/646893322.db2.gz SSTAWGNEYAEWFE-GOEBONIOSA-N 2 0 273.380 2.772 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000886156035 646899966 /nfs/dbraw/zinc/89/99/66/646899966.db2.gz UZNKJCMJUVMMMY-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC4(CCC4)CO3)C2)C1 ZINC000886217966 646926071 /nfs/dbraw/zinc/92/60/71/646926071.db2.gz LJHSHYWGMGQIGP-WMZOPIPTSA-N 2 0 292.467 2.753 20 0 CFADRP C[NH+](CCCF)[C@H]1CC[C@H]([N@H+](C)CCCF)CC1 ZINC000886391955 646994955 /nfs/dbraw/zinc/99/49/55/646994955.db2.gz JEBZMOPEUBZLME-HDJSIYSDSA-N 2 0 262.388 2.880 20 0 CFADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000886497089 647019813 /nfs/dbraw/zinc/01/98/13/647019813.db2.gz RQICYVXHSQQFKG-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP CN(C)[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886507350 647023221 /nfs/dbraw/zinc/02/32/21/647023221.db2.gz GRYAGHRZSUAVIF-ADKAHSJRSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)C[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886518810 647025689 /nfs/dbraw/zinc/02/56/89/647025689.db2.gz GZHIONIRYJVPGC-AQFXKWCLSA-N 2 0 282.472 2.780 20 0 CFADRP COCC[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520292 647026413 /nfs/dbraw/zinc/02/64/13/647026413.db2.gz AVESNJAQNQNELY-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000886522871 647027749 /nfs/dbraw/zinc/02/77/49/647027749.db2.gz SEDPLARXGKPUEE-DOTOQJQBSA-N 2 0 292.471 2.827 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000886522873 647028086 /nfs/dbraw/zinc/02/80/86/647028086.db2.gz SEDPLARXGKPUEE-RDJZCZTQSA-N 2 0 292.471 2.827 20 0 CFADRP CCC[C@](C)(O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886526528 647030197 /nfs/dbraw/zinc/03/01/97/647030197.db2.gz NLLXQTVNGPYOJC-JCYILVPMSA-N 2 0 282.472 2.924 20 0 CFADRP CC1(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)OCCO1 ZINC000886590198 647057198 /nfs/dbraw/zinc/05/71/98/647057198.db2.gz PLZLAMKBXQPUPQ-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594673 647059697 /nfs/dbraw/zinc/05/96/97/647059697.db2.gz RGKINZZLCJBWLM-GWUWNPHMSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H](CCCO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617567 647070648 /nfs/dbraw/zinc/07/06/48/647070648.db2.gz SEBHWWMYWFHDAV-GTPINHCMSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1ncc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000886623398 647073671 /nfs/dbraw/zinc/07/36/71/647073671.db2.gz COESLKLZJZJGCB-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000886628113 647076150 /nfs/dbraw/zinc/07/61/50/647076150.db2.gz GBFNZTXENGEJMS-UYSNPLJNSA-N 2 0 278.444 2.580 20 0 CFADRP CCCN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886638379 647081420 /nfs/dbraw/zinc/08/14/20/647081420.db2.gz SCXQDAPSBHGBRT-ADKAHSJRSA-N 3 0 293.499 2.857 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886639797 647082307 /nfs/dbraw/zinc/08/23/07/647082307.db2.gz LTFDPPPNQFRDOO-KNIAUWFNSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000886694482 647115258 /nfs/dbraw/zinc/11/52/58/647115258.db2.gz XCLPYNFFAHQVDV-IRWJRLHMSA-N 2 0 262.441 2.743 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)[C@@H]2CCC[C@@H]21 ZINC000886717985 647120844 /nfs/dbraw/zinc/12/08/44/647120844.db2.gz NSNWWUAKJDQRPN-UGUYLWEFSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)[C@@H]2CCC[C@@H]21 ZINC000886730563 647124025 /nfs/dbraw/zinc/12/40/25/647124025.db2.gz GWFZXCCFVKZTCU-QAETUUGQSA-N 2 0 292.467 2.798 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886837190 647158716 /nfs/dbraw/zinc/15/87/16/647158716.db2.gz CPGXUAFBFOAMNO-RYUDHWBXSA-N 2 0 296.402 2.951 20 0 CFADRP C([C@@H]1CC[C@H](C2CC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000886841617 647160305 /nfs/dbraw/zinc/16/03/05/647160305.db2.gz QWBZAUFCPJPYFU-FGTMMUONSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@@H]1CC[C@H](C2CC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841908 647160409 /nfs/dbraw/zinc/16/04/09/647160409.db2.gz ZWDUHKKPGMJWNL-OKZBNKHCSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132407 647222681 /nfs/dbraw/zinc/22/26/81/647222681.db2.gz FEQPIHRPMNWXPN-LSDHHAIUSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222046652 647241943 /nfs/dbraw/zinc/24/19/43/647241943.db2.gz XYXDEQAGJXBTNB-XOKHGSTOSA-N 2 0 276.399 2.973 20 0 CFADRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NCC2CC2)cc1 ZINC000887346977 647277559 /nfs/dbraw/zinc/27/75/59/647277559.db2.gz AKLZOKCLERCISP-UHFFFAOYSA-N 2 0 288.439 2.552 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)SC ZINC000300411059 647329665 /nfs/dbraw/zinc/32/96/65/647329665.db2.gz LBNYSBJTJXMCCN-CHWSQXEVSA-N 2 0 258.475 2.981 20 0 CFADRP Cc1ncsc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925497913 647853016 /nfs/dbraw/zinc/85/30/16/647853016.db2.gz ACZBOASJSPGTRY-KGLIPLIRSA-N 2 0 279.453 2.709 20 0 CFADRP CO[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925495915 647867127 /nfs/dbraw/zinc/86/71/27/647867127.db2.gz SRUOXTNREZIIOF-NCOADZHNSA-N 2 0 288.435 2.740 20 0 CFADRP CN(CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925500005 647882892 /nfs/dbraw/zinc/88/28/92/647882892.db2.gz BYSPUGSHTBWBGW-SJORKVTESA-N 2 0 289.467 2.614 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000924528857 647988066 /nfs/dbraw/zinc/98/80/66/647988066.db2.gz RICRZFUDGNOVLK-CHWSQXEVSA-N 2 0 253.390 2.836 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924577375 647998704 /nfs/dbraw/zinc/99/87/04/647998704.db2.gz JFNGRNJTYZCUDA-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP CSC1CC([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000924606402 648005826 /nfs/dbraw/zinc/00/58/26/648005826.db2.gz LOZJJGVSBUHQOV-UHFFFAOYSA-N 2 0 264.438 2.732 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C(C)(C)CO ZINC000924608053 648007013 /nfs/dbraw/zinc/00/70/13/648007013.db2.gz VQCZWRGFFYHGJC-OAHLLOKOSA-N 2 0 290.451 2.779 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C(C)C)N1CCCC1 ZINC000924630444 648012381 /nfs/dbraw/zinc/01/23/81/648012381.db2.gz DATJHISKUZFZGS-ULQDDVLXSA-N 2 0 282.472 2.758 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924662453 648021596 /nfs/dbraw/zinc/02/15/96/648021596.db2.gz RBJTYKGIRCMXPL-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924689796 648027466 /nfs/dbraw/zinc/02/74/66/648027466.db2.gz ZAIFUPPSIYPRGT-NCOADZHNSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000924689795 648027691 /nfs/dbraw/zinc/02/76/91/648027691.db2.gz ZAIFUPPSIYPRGT-MWDXBVQZSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC)n1 ZINC000924696957 648029690 /nfs/dbraw/zinc/02/96/90/648029690.db2.gz JKIUVYUNUISSCF-ILXRZTDVSA-N 2 0 289.423 2.758 20 0 CFADRP C1CC([NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000924844096 648058086 /nfs/dbraw/zinc/05/80/86/648058086.db2.gz QJNPGKDSGKDXQQ-MSOLQXFVSA-N 2 0 291.483 2.610 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc(C[NH+](C)C)c1 ZINC000924848669 648059148 /nfs/dbraw/zinc/05/91/48/648059148.db2.gz ZGTVWBXPMUHSCG-LSDHHAIUSA-N 2 0 298.434 2.820 20 0 CFADRP COCC[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924889627 648066810 /nfs/dbraw/zinc/06/68/10/648066810.db2.gz DNWBBNKIIQZYGX-UONOGXRCSA-N 2 0 264.413 2.824 20 0 CFADRP COCC[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924889176 648067031 /nfs/dbraw/zinc/06/70/31/648067031.db2.gz AHYQKXDKADOEFE-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924949726 648076803 /nfs/dbraw/zinc/07/68/03/648076803.db2.gz HGPFDMCGAYRAHJ-INIZCTEOSA-N 2 0 293.499 2.572 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000924955795 648078345 /nfs/dbraw/zinc/07/83/45/648078345.db2.gz QSOZJJMRVMBELG-OAHLLOKOSA-N 2 0 275.440 2.724 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccns2)CC1 ZINC000924955214 648078768 /nfs/dbraw/zinc/07/87/68/648078768.db2.gz NNHBOUXEUURWJH-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cnn(C)n1 ZINC000924956467 648078920 /nfs/dbraw/zinc/07/89/20/648078920.db2.gz HKCNJMWOWGNSOT-HNNXBMFYSA-N 2 0 293.459 2.512 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccnnc2)c1 ZINC000924958910 648079630 /nfs/dbraw/zinc/07/96/30/648079630.db2.gz NBKRGKNPTMTAHP-AWEZNQCLSA-N 2 0 284.407 2.779 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)N(C)C1CC1 ZINC000924965785 648081974 /nfs/dbraw/zinc/08/19/74/648081974.db2.gz BFNQFNVNMOUUAZ-CABCVRRESA-N 2 0 289.467 2.882 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000925053509 648096048 /nfs/dbraw/zinc/09/60/48/648096048.db2.gz JIMBEHHECCBCCS-PBHICJAKSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000925131219 648112587 /nfs/dbraw/zinc/11/25/87/648112587.db2.gz YECRBUQROQZPRT-BRWVUGGUSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000925131220 648113093 /nfs/dbraw/zinc/11/30/93/648113093.db2.gz YECRBUQROQZPRT-GVDBMIGSSA-N 2 0 294.483 2.900 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925135385 648114000 /nfs/dbraw/zinc/11/40/00/648114000.db2.gz WDALXOXHRSRUBS-IAGOWNOFSA-N 3 0 290.455 2.578 20 0 CFADRP FC(F)(F)CCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925192524 648128015 /nfs/dbraw/zinc/12/80/15/648128015.db2.gz VMJUEYUEQLVSKW-RYUDHWBXSA-N 2 0 264.335 2.935 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1(Br)CC1 ZINC000925218739 648133397 /nfs/dbraw/zinc/13/33/97/648133397.db2.gz ZINXVYDPRHAODG-SDDRHHMPSA-N 2 0 289.261 2.765 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000925218909 648134154 /nfs/dbraw/zinc/13/41/54/648134154.db2.gz ADHUVIBIPRUFCP-MSOLQXFVSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000925222035 648135177 /nfs/dbraw/zinc/13/51/77/648135177.db2.gz QIHGLCLVBXWJQJ-WCVJEAGWSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000925267411 648147166 /nfs/dbraw/zinc/14/71/66/648147166.db2.gz HSKUUSNZDNNYBU-CRAIPNDOSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccns1 ZINC000925438535 648169721 /nfs/dbraw/zinc/16/97/21/648169721.db2.gz BVGVKHNBLAPELF-MGPQQGTHSA-N 2 0 297.468 2.683 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925475395 648178354 /nfs/dbraw/zinc/17/83/54/648178354.db2.gz MNNNLZAVZBLTOE-DLBZAZTESA-N 2 0 288.435 2.973 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925475436 648178504 /nfs/dbraw/zinc/17/85/04/648178504.db2.gz CWBAXNRXPWPJPZ-YESZJQIVSA-N 2 0 282.472 2.541 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000925478962 648179349 /nfs/dbraw/zinc/17/93/49/648179349.db2.gz FPCRUAWMPHNVSQ-PHDAOHEYSA-N 2 0 298.434 2.601 20 0 CFADRP C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)CC[NH+]1CCCCC1 ZINC000925488075 648181900 /nfs/dbraw/zinc/18/19/00/648181900.db2.gz PTYJBOXFMISJIZ-INIZCTEOSA-N 3 0 279.472 2.517 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925492042 648182123 /nfs/dbraw/zinc/18/21/23/648182123.db2.gz FDUIFNXVYHNMRB-LSDHHAIUSA-N 2 0 276.424 2.733 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925488363 648182270 /nfs/dbraw/zinc/18/22/70/648182270.db2.gz SJGCFVILNBIIGH-HOTGVXAUSA-N 2 0 279.472 2.515 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925495206 648182885 /nfs/dbraw/zinc/18/28/85/648182885.db2.gz PZUAEBQQQNGKIJ-CWRNSKLLSA-N 2 0 274.408 2.622 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1c[nH]c2ccccc12 ZINC000925497034 648183802 /nfs/dbraw/zinc/18/38/02/648183802.db2.gz ZYUJCCBCUXAXJS-GYABFAJESA-N 2 0 283.419 2.816 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccccc1CO)c1ccccc1 ZINC000925501676 648186476 /nfs/dbraw/zinc/18/64/76/648186476.db2.gz CPZVBWMJHJBHKZ-GOSISDBHSA-N 2 0 284.403 2.749 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925503955 648187747 /nfs/dbraw/zinc/18/77/47/648187747.db2.gz OIZXLEJIGKDYEM-QXSJWSMHSA-N 2 0 293.499 2.602 20 0 CFADRP CSCCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925503684 648187844 /nfs/dbraw/zinc/18/78/44/648187844.db2.gz LEVKJKCXVPDIGM-AWEZNQCLSA-N 2 0 252.427 2.809 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925507723 648189799 /nfs/dbraw/zinc/18/97/99/648189799.db2.gz CHSQKCZTXGRBTB-WLGOAYHESA-N 2 0 270.420 2.685 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000925507747 648189843 /nfs/dbraw/zinc/18/98/43/648189843.db2.gz XGJVVXNGIFIBIM-CHWSQXEVSA-N 2 0 250.361 2.821 20 0 CFADRP C(COC1CCCC1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925508991 648190704 /nfs/dbraw/zinc/19/07/04/648190704.db2.gz KXDHWEBHMSUQHB-SJORKVTESA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)[NH+](CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925509725 648190748 /nfs/dbraw/zinc/19/07/48/648190748.db2.gz ORFTWVMXNGYYKB-CABCVRRESA-N 2 0 269.477 2.601 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C(C)C ZINC000925509962 648191578 /nfs/dbraw/zinc/19/15/78/648191578.db2.gz QRMCUFTZGUCSAE-ZWKOTPCHSA-N 2 0 295.515 2.863 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000925520798 648197374 /nfs/dbraw/zinc/19/73/74/648197374.db2.gz SPZBCOQMMHEYKH-LSDHHAIUSA-N 2 0 264.388 2.864 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925521488 648197400 /nfs/dbraw/zinc/19/74/00/648197400.db2.gz CVBSMAVUMQRWKR-BMFZPTHFSA-N 2 0 274.408 2.622 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925523972 648198559 /nfs/dbraw/zinc/19/85/59/648198559.db2.gz WTGWCAYYBVNSNS-GDWYVASHSA-N 2 0 270.420 2.685 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925525167 648199011 /nfs/dbraw/zinc/19/90/11/648199011.db2.gz ANKWUGWRSKWBCA-QLFBSQMISA-N 2 0 270.461 2.933 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000925529177 648201593 /nfs/dbraw/zinc/20/15/93/648201593.db2.gz CGUTVSGIMPJWRC-BYTQZNHFSA-N 2 0 280.481 2.637 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCOC2CCCC2)C[C@@H]([NH3+])C1 ZINC000925530013 648202550 /nfs/dbraw/zinc/20/25/50/648202550.db2.gz ASPKQLXJJZEHCU-KGLIPLIRSA-N 2 0 268.445 2.831 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cc(F)ccc1F ZINC000925530167 648202724 /nfs/dbraw/zinc/20/27/24/648202724.db2.gz OOJPAKZEQRGMII-FFMGESDNSA-N 2 0 280.362 2.613 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925531358 648203194 /nfs/dbraw/zinc/20/31/94/648203194.db2.gz YOWJWPFYOFFCFO-HZPDHXFCSA-N 2 0 280.456 2.846 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C1CCCC1 ZINC000925531146 648203344 /nfs/dbraw/zinc/20/33/44/648203344.db2.gz XOJXLRZIQOTIMP-PMPSAXMXSA-N 2 0 280.456 2.831 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925537264 648205938 /nfs/dbraw/zinc/20/59/38/648205938.db2.gz WHLSHPYONCSACB-HOTGVXAUSA-N 2 0 274.408 2.833 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925539400 648206627 /nfs/dbraw/zinc/20/66/27/648206627.db2.gz WIOGFGCICVQRJZ-IAGOWNOFSA-N 2 0 288.435 2.876 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccncc1 ZINC000925540558 648208373 /nfs/dbraw/zinc/20/83/73/648208373.db2.gz CVXCTGCFNQUMHJ-DMRZNYOFSA-N 2 0 273.424 2.551 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000925547131 648211189 /nfs/dbraw/zinc/21/11/89/648211189.db2.gz SALLFJHWXBDLCE-KRWDZBQOSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925554294 648214835 /nfs/dbraw/zinc/21/48/35/648214835.db2.gz XPLOYLTWPREONX-OWCLPIDISA-N 3 0 279.472 2.501 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCCC1 ZINC000925557501 648215503 /nfs/dbraw/zinc/21/55/03/648215503.db2.gz OXJGFSIWZJDIGG-CABCVRRESA-N 2 0 280.456 2.833 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000925559745 648216223 /nfs/dbraw/zinc/21/62/23/648216223.db2.gz JQWBVJCVYQNLGX-KVDVXYDOSA-N 2 0 294.483 2.779 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925559586 648216800 /nfs/dbraw/zinc/21/68/00/648216800.db2.gz WIWHMNJBULRPOW-SNPRPXQTSA-N 2 0 293.842 2.644 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000925561351 648217970 /nfs/dbraw/zinc/21/79/70/648217970.db2.gz ZYKXPMBEOQAHBT-KDAKDGQGSA-N 2 0 282.431 2.502 20 0 CFADRP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](CCC(C)C)CC2)[nH]n1 ZINC000925564655 648219646 /nfs/dbraw/zinc/21/96/46/648219646.db2.gz ZVZHNNAQBUGSMA-CQSZACIVSA-N 2 0 292.471 2.749 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C12CCC2 ZINC000925569589 648221514 /nfs/dbraw/zinc/22/15/14/648221514.db2.gz GZOOAOPLGZHTCR-ZACQAIPSSA-N 2 0 270.420 2.867 20 0 CFADRP c1csc(CCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925570937 648222815 /nfs/dbraw/zinc/22/28/15/648222815.db2.gz ZHKVAXAPXCMBGQ-GJZGRUSLSA-N 2 0 293.480 2.834 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCNc2ccc3ccccc3n2)C12CCC2 ZINC000925579258 648225174 /nfs/dbraw/zinc/22/51/74/648225174.db2.gz KPHZEXLVGHWDHF-JKSUJKDBSA-N 2 0 296.418 2.506 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)[C@H]1CCCCO1 ZINC000925580091 648225425 /nfs/dbraw/zinc/22/54/25/648225425.db2.gz JRZMZVKZBYHJJF-LSDHHAIUSA-N 2 0 280.456 2.846 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925592237 648230920 /nfs/dbraw/zinc/23/09/20/648230920.db2.gz GVPJBENVEFCSMV-NEPJUHHUSA-N 2 0 298.377 2.839 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)Oc1ccccc1 ZINC000925604180 648236409 /nfs/dbraw/zinc/23/64/09/648236409.db2.gz VFIICQAUGBXPLZ-PQEBFOHHSA-N 2 0 288.435 2.820 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925604145 648236477 /nfs/dbraw/zinc/23/64/77/648236477.db2.gz IHHOVBADICZMOV-BDXSIMOUSA-N 2 0 294.483 2.805 20 0 CFADRP CC(C)[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+]1CCCC1 ZINC000925606658 648237559 /nfs/dbraw/zinc/23/75/59/648237559.db2.gz PMRXJGKMGQUVDW-JYJNAYRXSA-N 2 0 281.488 2.602 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925613980 648239791 /nfs/dbraw/zinc/23/97/91/648239791.db2.gz GOAYRYFZGAYQRT-CVEARBPZSA-N 2 0 282.472 2.543 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000925616502 648241121 /nfs/dbraw/zinc/24/11/21/648241121.db2.gz MJCGCFAAZPQDFU-SOUVJXGZSA-N 2 0 268.445 2.687 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000925617840 648241521 /nfs/dbraw/zinc/24/15/21/648241521.db2.gz SHNHUHIBTBLSHY-GOEBONIOSA-N 2 0 291.439 2.537 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925619232 648242848 /nfs/dbraw/zinc/24/28/48/648242848.db2.gz YMTDDESBDVIANG-IAGOWNOFSA-N 2 0 288.435 2.877 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925621456 648243571 /nfs/dbraw/zinc/24/35/71/648243571.db2.gz DKWGZZYPQXLOEO-IKGGRYGDSA-N 2 0 295.515 2.862 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925625353 648246544 /nfs/dbraw/zinc/24/65/44/648246544.db2.gz HJWWNBWNEYXIKB-CYBMUJFWSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925636102 648253853 /nfs/dbraw/zinc/25/38/53/648253853.db2.gz QOUUJEDWCQHFAX-ILXRZTDVSA-N 2 0 282.472 2.671 20 0 CFADRP C[C@H](CCN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+]1CCCCC1 ZINC000925637400 648255110 /nfs/dbraw/zinc/25/51/10/648255110.db2.gz KFSSTROMILBPKU-PMPSAXMXSA-N 2 0 281.488 2.747 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000925640650 648256923 /nfs/dbraw/zinc/25/69/23/648256923.db2.gz TYSXPQWLZUPEAH-GOEBONIOSA-N 2 0 258.409 2.649 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925643576 648257914 /nfs/dbraw/zinc/25/79/14/648257914.db2.gz FYBJUSPJNJJXRH-CABCVRRESA-N 2 0 276.449 2.909 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)C12CCC2 ZINC000925650413 648261578 /nfs/dbraw/zinc/26/15/78/648261578.db2.gz UUMAICWQNIQRQM-ZIAGYGMSSA-N 2 0 296.361 2.690 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000925652983 648262725 /nfs/dbraw/zinc/26/27/25/648262725.db2.gz BPAANPGGLKTZJG-YWLHCOHVSA-N 2 0 282.431 2.693 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925656894 648264739 /nfs/dbraw/zinc/26/47/39/648264739.db2.gz KYCOBTDMBCYRDK-ZIAGYGMSSA-N 2 0 268.470 2.640 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)CC(F)(F)F ZINC000925694840 648284399 /nfs/dbraw/zinc/28/43/99/648284399.db2.gz GDHHDCBARUFVNL-WDEREUQCSA-N 2 0 264.335 2.839 20 0 CFADRP CC(C)SCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925672184 648272961 /nfs/dbraw/zinc/27/29/61/648272961.db2.gz TVPRZCRFOABCQY-GJZGRUSLSA-N 2 0 270.486 2.886 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000925672609 648273419 /nfs/dbraw/zinc/27/34/19/648273419.db2.gz IMZQPNWSUZEEEQ-RRFJBIMHSA-N 2 0 296.842 2.869 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925676830 648275670 /nfs/dbraw/zinc/27/56/70/648275670.db2.gz MBQQBRSVLKFNMB-VXGBXAGGSA-N 2 0 265.401 2.541 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925676646 648275820 /nfs/dbraw/zinc/27/58/20/648275820.db2.gz OMFGKADKBTXYKM-JQHSSLGASA-N 2 0 295.515 2.865 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925680990 648277114 /nfs/dbraw/zinc/27/71/14/648277114.db2.gz SBVFSYWBWWIZRB-QWHCGFSZSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925682886 648277890 /nfs/dbraw/zinc/27/78/90/648277890.db2.gz HDADJVBIKQIPKA-NDBYEHHHSA-N 2 0 272.383 2.788 20 0 CFADRP CCC[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)OC ZINC000925681677 648278048 /nfs/dbraw/zinc/27/80/48/648278048.db2.gz WRBIRXCOTZQDEC-HZPDHXFCSA-N 2 0 264.413 2.871 20 0 CFADRP FCC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925684090 648278596 /nfs/dbraw/zinc/27/85/96/648278596.db2.gz ZOTJMOSITDWMNK-HOTGVXAUSA-N 2 0 298.446 2.511 20 0 CFADRP CCC[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)OC ZINC000925681676 648278612 /nfs/dbraw/zinc/27/86/12/648278612.db2.gz WRBIRXCOTZQDEC-HOTGVXAUSA-N 2 0 264.413 2.871 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925685842 648279743 /nfs/dbraw/zinc/27/97/43/648279743.db2.gz OWSUVPZSWNLQNX-IRXDYDNUSA-N 2 0 293.499 2.619 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC(F)(F)C1 ZINC000925686942 648280573 /nfs/dbraw/zinc/28/05/73/648280573.db2.gz ZLMQDMFAUFBNSU-MPEURRAXSA-N 2 0 258.356 2.527 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925687963 648280602 /nfs/dbraw/zinc/28/06/02/648280602.db2.gz AQYBCFRBOLBILB-SJORKVTESA-N 2 0 294.483 2.951 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925690596 648281490 /nfs/dbraw/zinc/28/14/90/648281490.db2.gz IYLWPEKORMSTRS-LSDHHAIUSA-N 2 0 261.413 2.694 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925688690 648281879 /nfs/dbraw/zinc/28/18/79/648281879.db2.gz GVKMFMKQVSGSHV-AICCOOGYSA-N 2 0 250.430 2.645 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000925693697 648282870 /nfs/dbraw/zinc/28/28/70/648282870.db2.gz QQXGUNZPJKLNHO-NXOAAHMSSA-N 2 0 262.441 2.790 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)O1 ZINC000925696878 648284262 /nfs/dbraw/zinc/28/42/62/648284262.db2.gz VAZRPJFKZOPADW-BMFZPTHFSA-N 2 0 262.397 2.624 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1(O)CCCC1 ZINC000925695916 648284282 /nfs/dbraw/zinc/28/42/82/648284282.db2.gz YMSDAPUPSCTJEK-KBPBESRZSA-N 2 0 282.472 2.813 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000925700051 648285004 /nfs/dbraw/zinc/28/50/04/648285004.db2.gz NAQGQGIUIOIKKY-KYNGSXCRSA-N 2 0 295.430 2.552 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000925703064 648285974 /nfs/dbraw/zinc/28/59/74/648285974.db2.gz SKNPJXMJWHKEMO-UIEBLEIFSA-N 2 0 299.462 2.909 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CN2 ZINC000925704554 648287805 /nfs/dbraw/zinc/28/78/05/648287805.db2.gz YJDBUQHDNWXYGK-YQVWRLOYSA-N 2 0 299.462 2.781 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)C[C@@H]([NH3+])C1 ZINC000925706081 648288744 /nfs/dbraw/zinc/28/87/44/648288744.db2.gz FDNCFQJXTDPJQC-KNPMLCFXSA-N 2 0 274.408 2.660 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925707311 648289896 /nfs/dbraw/zinc/28/98/96/648289896.db2.gz PBAUBKMOXPCFML-NCOADZHNSA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000925709214 648290587 /nfs/dbraw/zinc/29/05/87/648290587.db2.gz UCUQQLJGSAUFAW-DYJAJEHQSA-N 2 0 274.383 2.729 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925714267 648292687 /nfs/dbraw/zinc/29/26/87/648292687.db2.gz OXBCXOWDLFQZKH-HZSPNIEDSA-N 2 0 261.413 2.681 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925714268 648292972 /nfs/dbraw/zinc/29/29/72/648292972.db2.gz OXBCXOWDLFQZKH-MCIONIFRSA-N 2 0 261.413 2.681 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCC1 ZINC000925715321 648293674 /nfs/dbraw/zinc/29/36/74/648293674.db2.gz GPTABBJHVZUEIP-UGUYLWEFSA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CC(F)(F)F ZINC000925715644 648293831 /nfs/dbraw/zinc/29/38/31/648293831.db2.gz GJODZBMFHZLIGN-KKJSVHSVSA-N 2 0 276.346 2.551 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCC1 ZINC000925716406 648294493 /nfs/dbraw/zinc/29/44/93/648294493.db2.gz QCYZIXBULGALOA-QLFBSQMISA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925721796 648298224 /nfs/dbraw/zinc/29/82/24/648298224.db2.gz QSELRLQAIJLERL-WHOHXGKFSA-N 2 0 291.266 2.937 20 0 CFADRP CC1(C)CO[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925731196 648300725 /nfs/dbraw/zinc/30/07/25/648300725.db2.gz SEUKHEDBWMMKQI-XHSDSOJGSA-N 2 0 280.456 2.559 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)OC1 ZINC000925730948 648301167 /nfs/dbraw/zinc/30/11/67/648301167.db2.gz IMCDRQDWGPDGAL-BFHYXJOUSA-N 2 0 268.445 2.687 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1 ZINC000925736406 648303550 /nfs/dbraw/zinc/30/35/50/648303550.db2.gz FWQYDXKGNBMBNH-GFCCVEGCSA-N 2 0 250.386 2.782 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925736752 648304217 /nfs/dbraw/zinc/30/42/17/648304217.db2.gz OMPGMSKHVKTORT-FRRDWIJNSA-N 2 0 260.372 2.790 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000925738334 648304544 /nfs/dbraw/zinc/30/45/44/648304544.db2.gz QKKZMHKHICHPPQ-GJZGRUSLSA-N 2 0 276.424 2.950 20 0 CFADRP CC(C)([NH3+])CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000925737798 648304830 /nfs/dbraw/zinc/30/48/30/648304830.db2.gz LLISNEZGIRZBOA-UHFFFAOYSA-N 2 0 268.445 2.974 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925740226 648305377 /nfs/dbraw/zinc/30/53/77/648305377.db2.gz GAALUGCSYJZYHY-LBPRGKRZSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)OCCCO2 ZINC000925741023 648305908 /nfs/dbraw/zinc/30/59/08/648305908.db2.gz NDHIPRHUKYEACD-GFCCVEGCSA-N 2 0 278.396 2.626 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000925742716 648306219 /nfs/dbraw/zinc/30/62/19/648306219.db2.gz XGYURMDVYWXZKV-ZDUSSCGKSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(F)cc1N(C)C ZINC000925742909 648306349 /nfs/dbraw/zinc/30/63/49/648306349.db2.gz YRXOJAKTNDHPQJ-NSHDSACASA-N 2 0 267.392 2.670 20 0 CFADRP CCC[C@H]1CCC[C@@H]1[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749964 648307744 /nfs/dbraw/zinc/30/77/44/648307744.db2.gz BQCIDGVLVBTOGW-AAEUAGOBSA-N 2 0 279.453 2.929 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000925757454 648310568 /nfs/dbraw/zinc/31/05/68/648310568.db2.gz HBNHHHSTFQZBJB-ZDUSSCGKSA-N 2 0 289.423 2.909 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925773307 648316183 /nfs/dbraw/zinc/31/61/83/648316183.db2.gz CKPCUQHUKSPFGL-HZSPNIEDSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777179 648318770 /nfs/dbraw/zinc/31/87/70/648318770.db2.gz OPWHYTSXGAINMP-IJLUTSLNSA-N 2 0 260.372 2.646 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000925776514 648319100 /nfs/dbraw/zinc/31/91/00/648319100.db2.gz KXZBJQSHHZGANR-KGLIPLIRSA-N 2 0 272.383 2.790 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000925787693 648324294 /nfs/dbraw/zinc/32/42/94/648324294.db2.gz ZQSAIDFIKIBRIG-COXVUDFISA-N 2 0 288.435 2.908 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000925791185 648325721 /nfs/dbraw/zinc/32/57/21/648325721.db2.gz ORJCYWBXXXZHNJ-SNPRPXQTSA-N 2 0 292.423 2.600 20 0 CFADRP CSC1CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925803375 648327271 /nfs/dbraw/zinc/32/72/71/648327271.db2.gz YOYVQMUVGCQDQU-RUXDESIVSA-N 2 0 268.470 2.782 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1C[C@H]2CC[C@@H](C1)S2 ZINC000925800978 648327320 /nfs/dbraw/zinc/32/73/20/648327320.db2.gz HVDIZFKPUNPVKD-WTUNAVPPSA-N 2 0 266.454 2.535 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925800481 648327466 /nfs/dbraw/zinc/32/74/66/648327466.db2.gz RYYVYUMWMLPAFP-UNEWFSDZSA-N 2 0 258.409 2.818 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000925804226 648328018 /nfs/dbraw/zinc/32/80/18/648328018.db2.gz ZZXAUWBUAMCSBR-IRUJWGPZSA-N 2 0 298.352 2.926 20 0 CFADRP CSC1CCC(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925802356 648328220 /nfs/dbraw/zinc/32/82/20/648328220.db2.gz MKOSKXUJNDNEMC-BPCQOVAHSA-N 2 0 256.459 2.638 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925803949 648328445 /nfs/dbraw/zinc/32/84/45/648328445.db2.gz BANOOZXCLQLAJH-QZTJIDSGSA-N 2 0 298.434 2.664 20 0 CFADRP CCC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1 ZINC000925803123 648328463 /nfs/dbraw/zinc/32/84/63/648328463.db2.gz MFGARJBGHKFJMC-FMKPAKJESA-N 2 0 261.413 2.758 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805062 648328941 /nfs/dbraw/zinc/32/89/41/648328941.db2.gz PZBZXBKMNBADLO-HNNXBMFYSA-N 2 0 258.409 2.838 20 0 CFADRP CC[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000925806002 648329111 /nfs/dbraw/zinc/32/91/11/648329111.db2.gz ANVNQDVWHGAPSU-IRXDYDNUSA-N 2 0 282.472 2.951 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925807450 648329857 /nfs/dbraw/zinc/32/98/57/648329857.db2.gz AYCXBZZYLLIQPV-BLLLJJGKSA-N 2 0 285.391 2.548 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1nccc2c1CCCC2 ZINC000925807129 648330168 /nfs/dbraw/zinc/33/01/68/648330168.db2.gz SVDAADFCTIVAHQ-JOUKPKRSSA-N 2 0 299.462 2.956 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925808180 648330287 /nfs/dbraw/zinc/33/02/87/648330287.db2.gz ALBZXROWYRZUPF-RDTXWAMCSA-N 2 0 287.451 2.638 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809404 648330733 /nfs/dbraw/zinc/33/07/33/648330733.db2.gz UVECJKMMEXHWDY-MAUKXSAKSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809417 648330840 /nfs/dbraw/zinc/33/08/40/648330840.db2.gz VAQMYLPCQGLWMO-ZDUSSCGKSA-N 2 0 278.444 2.929 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2nccn2C1)c1ccnn1CC1CCC1 ZINC000925812109 648330862 /nfs/dbraw/zinc/33/08/62/648330862.db2.gz HBKCZVNSXGQCPF-DZGCQCFKSA-N 2 0 299.422 2.545 20 0 CFADRP CCCc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925810581 648330946 /nfs/dbraw/zinc/33/09/46/648330946.db2.gz PDPQYEVBHFDCEE-HNNXBMFYSA-N 2 0 289.467 2.713 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc2ccccc2o1 ZINC000925812199 648332032 /nfs/dbraw/zinc/33/20/32/648332032.db2.gz VMIFQXMTTJPNMQ-CYBMUJFWSA-N 2 0 287.407 2.507 20 0 CFADRP [NH3+]C1CCN(CC[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000925815580 648332919 /nfs/dbraw/zinc/33/29/19/648332919.db2.gz RVIYOKPAEWSBKF-GOSISDBHSA-N 2 0 287.451 2.541 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925825542 648335404 /nfs/dbraw/zinc/33/54/04/648335404.db2.gz GESCOWQHLJADIQ-IJEWVQPXSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2nc3c(s2)CCC3)C1 ZINC000925829319 648336118 /nfs/dbraw/zinc/33/61/18/648336118.db2.gz CALTUOMKCMVZFI-VXGBXAGGSA-N 2 0 293.480 2.670 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925834490 648338507 /nfs/dbraw/zinc/33/85/07/648338507.db2.gz XOCULYWBHXGCFM-CHWSQXEVSA-N 2 0 264.388 2.963 20 0 CFADRP c1ccc2c(c1)CCN2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925838221 648339509 /nfs/dbraw/zinc/33/95/09/648339509.db2.gz WFRVVEJDPJONAH-RCCFBDPRSA-N 2 0 299.462 2.559 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)o1 ZINC000925839557 648339955 /nfs/dbraw/zinc/33/99/55/648339955.db2.gz RIZSTCLXBXMULK-IUODEOHRSA-N 2 0 287.407 2.656 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925843984 648342028 /nfs/dbraw/zinc/34/20/28/648342028.db2.gz IVTCGCHILCDEFT-DLBZAZTESA-N 2 0 281.488 2.620 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCS1 ZINC000925862228 648347999 /nfs/dbraw/zinc/34/79/99/648347999.db2.gz YNSMUZAPJUOPOB-POQQGIQPSA-N 2 0 268.470 2.637 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000925862084 648348190 /nfs/dbraw/zinc/34/81/90/648348190.db2.gz XUGJKQOZMGZFMS-RBKKPWLPSA-N 2 0 266.454 2.677 20 0 CFADRP Cn1nc(C2CC2)cc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925874331 648352092 /nfs/dbraw/zinc/35/20/92/648352092.db2.gz RBMYAKSSMKQWTM-WBVHZDCISA-N 2 0 282.391 2.532 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)cc(F)c1 ZINC000925877172 648353189 /nfs/dbraw/zinc/35/31/89/648353189.db2.gz NMJLCZSMOANGOF-RBZYPMLTSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1N(C)C ZINC000925882665 648354629 /nfs/dbraw/zinc/35/46/29/648354629.db2.gz PBQVHWKYIFKKRC-MJBXVCDLSA-N 2 0 261.413 2.531 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)C2 ZINC000925882341 648354650 /nfs/dbraw/zinc/35/46/50/648354650.db2.gz LAMZDJLCXOEBEV-LGWLGOQQSA-N 2 0 258.409 2.945 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925881702 648354757 /nfs/dbraw/zinc/35/47/57/648354757.db2.gz DRIBVGYEIXMZPB-MJBXVCDLSA-N 2 0 286.423 2.601 20 0 CFADRP C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cccc(C[NH+](C)C)c1 ZINC000926161138 648420425 /nfs/dbraw/zinc/42/04/25/648420425.db2.gz MWHQWBJNSWMUAP-CYBMUJFWSA-N 2 0 292.423 2.550 20 0 CFADRP C[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926200961 648432307 /nfs/dbraw/zinc/43/23/07/648432307.db2.gz LMGJDHNSTBGFCX-OAHLLOKOSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(C[NH+](C)C)c1 ZINC000926213570 648436184 /nfs/dbraw/zinc/43/61/84/648436184.db2.gz RSLXDZPJWFOKLA-CYBMUJFWSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1coc2ccccc12 ZINC000926256277 648449599 /nfs/dbraw/zinc/44/95/99/648449599.db2.gz VOLHMWHVXAFIIR-CYBMUJFWSA-N 2 0 276.380 2.662 20 0 CFADRP C[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926314579 648460647 /nfs/dbraw/zinc/46/06/47/648460647.db2.gz LRZVWDSGUZIHGT-KBPBESRZSA-N 2 0 264.413 2.560 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc2ncccc2c1 ZINC000926333016 648464551 /nfs/dbraw/zinc/46/45/51/648464551.db2.gz MMPAKJUAWSYBHZ-BYICEURKSA-N 2 0 281.403 2.665 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926335637 648465759 /nfs/dbraw/zinc/46/57/59/648465759.db2.gz BAQIMLXUIOAQSX-BACDZXNISA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926336335 648465791 /nfs/dbraw/zinc/46/57/91/648465791.db2.gz ASUGZRJXZPWJGW-RDTXWAMCSA-N 2 0 290.451 2.950 20 0 CFADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926338230 648466535 /nfs/dbraw/zinc/46/65/35/648466535.db2.gz XIFYDLSOOUPBAP-CPFNUKBASA-N 2 0 294.483 2.924 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2c(C)noc2C)CC[NH+](C)CC1 ZINC000926449575 648492694 /nfs/dbraw/zinc/49/26/94/648492694.db2.gz WBAJXIBRXWWJKL-LLVKDONJSA-N 2 0 297.468 2.769 20 0 CFADRP C(CC[NH2+][C@@H]1CCCN2CCCC[C@H]12)CC[NH+]1CCCC1 ZINC000926486466 648505519 /nfs/dbraw/zinc/50/55/19/648505519.db2.gz HBUPCAVGRKKIBF-QZTJIDSGSA-N 3 0 293.499 2.859 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(C[NH+](C)C)c1 ZINC000926501497 648511283 /nfs/dbraw/zinc/51/12/83/648511283.db2.gz YDVMFTUNVWHLJB-LSDHHAIUSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@H]([NH2+]CC1=CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926507000 648514121 /nfs/dbraw/zinc/51/41/21/648514121.db2.gz VECJLEFLEJKOEN-AWEZNQCLSA-N 2 0 274.408 2.746 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)O)CC1 ZINC000926511348 648514821 /nfs/dbraw/zinc/51/48/21/648514821.db2.gz DHCFBTYOWHHNMY-AWEZNQCLSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cnn(C2CCC2)c1 ZINC000926540337 648525226 /nfs/dbraw/zinc/52/52/26/648525226.db2.gz IGNNWFCJSOPCHZ-JATKITJMSA-N 2 0 288.439 2.884 20 0 CFADRP Cc1cnc(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000926558419 648533142 /nfs/dbraw/zinc/53/31/42/648533142.db2.gz IIMGVILJKJSARO-OAHLLOKOSA-N 2 0 298.434 2.740 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CC1 ZINC000926559490 648533686 /nfs/dbraw/zinc/53/36/86/648533686.db2.gz OVMTYTFAMGCUMI-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc(C[NH+](C)C)c1 ZINC000926596159 648546802 /nfs/dbraw/zinc/54/68/02/648546802.db2.gz NQAQNTMRTBEZCN-LESCRADOSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926639388 648558730 /nfs/dbraw/zinc/55/87/30/648558730.db2.gz RHLMUQRCBMQFNC-IOASZLSFSA-N 2 0 262.397 2.576 20 0 CFADRP CC[N@H+](CCC[NH2+][C@H]1COC[C@H]1C)C1CCCCC1 ZINC000926652426 648563130 /nfs/dbraw/zinc/56/31/30/648563130.db2.gz SMTAGAHRSYOMGP-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000926665627 648567000 /nfs/dbraw/zinc/56/70/00/648567000.db2.gz JCZFDNROWWTUAT-IMJJTQAJSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926680971 648573304 /nfs/dbraw/zinc/57/33/04/648573304.db2.gz SXWGBWFYBPXZAE-DYVFJYSZSA-N 2 0 276.424 2.560 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000926754179 648603219 /nfs/dbraw/zinc/60/32/19/648603219.db2.gz MPIJRIQLVVAOGK-XHSDSOJGSA-N 2 0 270.461 2.638 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000926754178 648603540 /nfs/dbraw/zinc/60/35/40/648603540.db2.gz MPIJRIQLVVAOGK-OAGGEKHMSA-N 2 0 270.461 2.638 20 0 CFADRP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926756953 648604136 /nfs/dbraw/zinc/60/41/36/648604136.db2.gz AAIPRCGUCXNGAU-XKQJLSEDSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000926791474 648618039 /nfs/dbraw/zinc/61/80/39/648618039.db2.gz WIXOXLWYYQRRIR-TVXGVJEUSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926798455 648620494 /nfs/dbraw/zinc/62/04/94/648620494.db2.gz UBCLRLGHESUAOI-VUROTCPHSA-N 2 0 282.472 2.900 20 0 CFADRP COCC1CC([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926808737 648624344 /nfs/dbraw/zinc/62/43/44/648624344.db2.gz KAFBXIXOUOAPPV-UHFFFAOYSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCC1(F)F ZINC000926845159 648633396 /nfs/dbraw/zinc/63/33/96/648633396.db2.gz KVHPMAIJDUJTGB-RBKKPWLPSA-N 2 0 272.383 2.742 20 0 CFADRP COC1(OC)CC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000926889238 648646564 /nfs/dbraw/zinc/64/65/64/648646564.db2.gz OHBXXUUJAGTJRW-PCKAHOCUSA-N 2 0 296.455 2.525 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO[C@H]1C ZINC000926889410 648647370 /nfs/dbraw/zinc/64/73/70/648647370.db2.gz PVHINJWWRIOJID-ZPBWDRIISA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000926947982 648668323 /nfs/dbraw/zinc/66/83/23/648668323.db2.gz GVCKDTDVYIALPV-WRWGMCAJSA-N 2 0 264.335 2.505 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCC1 ZINC000927036901 648689660 /nfs/dbraw/zinc/68/96/60/648689660.db2.gz KPDJNCMDKBWFQK-QQFBHYJXSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037857 648689705 /nfs/dbraw/zinc/68/97/05/648689705.db2.gz LEXKQLFFLXGUJR-NJINODPHSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037674 648689709 /nfs/dbraw/zinc/68/97/09/648689709.db2.gz KAOJPCBCSDKGKG-GTPINHCMSA-N 2 0 290.455 2.658 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnccn1 ZINC000927037212 648689723 /nfs/dbraw/zinc/68/97/23/648689723.db2.gz IDTYBIMEFKUIBO-HLIUYOAVSA-N 2 0 274.412 2.534 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2OCCc3ccccc32)CC[N@@H+]1C ZINC000927116488 648718733 /nfs/dbraw/zinc/71/87/33/648718733.db2.gz RBFWNWLOJVQWJD-KYJSFNMBSA-N 2 0 288.435 2.763 20 0 CFADRP Fc1cccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000929833611 649134415 /nfs/dbraw/zinc/13/44/15/649134415.db2.gz DSXBSEUWNZWVFD-UHFFFAOYSA-N 2 0 285.366 2.585 20 0 CFADRP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)nn1 ZINC000930117757 649188216 /nfs/dbraw/zinc/18/82/16/649188216.db2.gz XOCSURZHHGNIOE-UHFFFAOYSA-N 2 0 298.434 2.787 20 0 CFADRP CC[C@H](CO)[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000930373756 649239918 /nfs/dbraw/zinc/23/99/18/649239918.db2.gz LTFNRKKPBUQXGK-LSDHHAIUSA-N 2 0 296.480 2.581 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459166 649253600 /nfs/dbraw/zinc/25/36/00/649253600.db2.gz FKTGBUFNTGKLHK-CNRQFGJNSA-N 2 0 284.394 2.835 20 0 CFADRP CC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858599 649337867 /nfs/dbraw/zinc/33/78/67/649337867.db2.gz OKFSTFYIHQJTDW-GASCZTMLSA-N 2 0 276.424 2.748 20 0 CFADRP CC[N@H+](CCOC1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000931271327 649400077 /nfs/dbraw/zinc/40/00/77/649400077.db2.gz HSHNHEYYVZOORF-UHFFFAOYSA-N 2 0 276.424 2.749 20 0 CFADRP Cc1cnn(CCCCC[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC000931351107 649413347 /nfs/dbraw/zinc/41/33/47/649413347.db2.gz HAELZLVIXUCBFJ-UHFFFAOYSA-N 2 0 292.471 2.778 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](CCCCC2CCOCC2)CC1 ZINC000931352921 649413940 /nfs/dbraw/zinc/41/39/40/649413940.db2.gz WHWVWGHXDINXJW-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCSCc3ccccc3)C[C@@H]2C1 ZINC000931435815 649426334 /nfs/dbraw/zinc/42/63/34/649426334.db2.gz DKESENLAYCQLRZ-SJORKVTESA-N 2 0 290.476 2.803 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCSC(C)(C)C)C[C@@H]2C1 ZINC000931441079 649427943 /nfs/dbraw/zinc/42/79/43/649427943.db2.gz BXVCNIIKUMSTAD-KGLIPLIRSA-N 2 0 270.486 2.792 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@H](C)c2cnc(C)s2)[nH]1 ZINC000931468302 649435423 /nfs/dbraw/zinc/43/54/23/649435423.db2.gz VRVJNGURBPEIAA-MRVPVSSYSA-N 2 0 250.371 2.642 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931483621 649438882 /nfs/dbraw/zinc/43/88/82/649438882.db2.gz JRMRQILBLXLHDB-CVEARBPZSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H](c1ccccc1Cl)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484905 649439585 /nfs/dbraw/zinc/43/95/85/649439585.db2.gz VFXPBMYMXGONDT-ZDUSSCGKSA-N 2 0 296.842 2.790 20 0 CFADRP Cc1ccc(CN2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931512882 649444369 /nfs/dbraw/zinc/44/43/69/649444369.db2.gz SZDOTMOGWUEEGT-UHFFFAOYSA-N 2 0 253.349 2.531 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3CF)CC[C@@H]21 ZINC000931546996 649451334 /nfs/dbraw/zinc/45/13/34/649451334.db2.gz OPJZVDVKXUSCGL-CVEARBPZSA-N 2 0 262.372 2.682 20 0 CFADRP COC/C(C)=C\C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000931703186 649475737 /nfs/dbraw/zinc/47/57/37/649475737.db2.gz VFYJIHFFHGGBTN-SXGWCWSVSA-N 2 0 268.445 2.777 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000931719007 649478237 /nfs/dbraw/zinc/47/82/37/649478237.db2.gz ZCQWDDCHMROJRB-OIISXLGYSA-N 2 0 288.435 2.967 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000931719188 649478292 /nfs/dbraw/zinc/47/82/92/649478292.db2.gz MXRVLOSSWVYAIM-FJIDUMEYSA-N 2 0 270.420 2.959 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CCc2ccc(F)cc21 ZINC000931724650 649480226 /nfs/dbraw/zinc/48/02/26/649480226.db2.gz LMXYLQGZTWRZRV-ZMSDIMECSA-N 2 0 274.383 2.982 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)CC(C)(C)C ZINC000933734727 649718179 /nfs/dbraw/zinc/71/81/79/649718179.db2.gz RGJHFQROEKLOGD-IJEWVQPXSA-N 2 0 252.446 2.942 20 0 CFADRP C[N@@H+]1C[C@@H]2CN(Cc3ccc(CF)cc3)C[C@]2(C)C1 ZINC000933737899 649718349 /nfs/dbraw/zinc/71/83/49/649718349.db2.gz VDZHFIQWLNKDEL-CVEARBPZSA-N 2 0 262.372 2.540 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934833072 649837318 /nfs/dbraw/zinc/83/73/18/649837318.db2.gz HXCUJPWUYZVQLE-IXDOHACOSA-N 2 0 280.456 2.609 20 0 CFADRP c1ncn(-c2cc(C3CC3)ccn2)c1C1CC[NH2+]CC1 ZINC001155057589 782190203 /nfs/dbraw/zinc/19/02/03/782190203.db2.gz KVZDSANODJOUQL-UHFFFAOYSA-N 2 0 268.364 2.612 20 0 CFADRP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC(F)(C[NH3+])CC1 ZINC001164387963 718813642 /nfs/dbraw/zinc/81/36/42/718813642.db2.gz KWRRDDKPNJIESB-UHFFFAOYSA-N 2 0 285.794 2.733 20 0 CFADRP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001164615162 719037759 /nfs/dbraw/zinc/03/77/59/719037759.db2.gz LAAUZMUZUJENNM-UHFFFAOYSA-N 2 0 293.842 2.902 20 0 CFADRP C[C@H]1C[C@H]1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209420595 770069507 /nfs/dbraw/zinc/06/95/07/770069507.db2.gz FCRVYPNMVPGCTO-STQMWFEESA-N 2 0 254.393 2.541 20 0 CFADRP Cn1c[nH+]cc1N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277769440 777805560 /nfs/dbraw/zinc/80/55/60/777805560.db2.gz CQBMQTCAPIQMNL-GASCZTMLSA-N 2 0 288.439 2.511 20 0 CFADRP CCCC[C@@H](CC)C[N@H+](CCOC)C1CC[NH2+]CC1 ZINC001235947177 778621600 /nfs/dbraw/zinc/62/16/00/778621600.db2.gz XYHLDEXCFQGTGH-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@@H](C)C1 ZINC001235821015 778567412 /nfs/dbraw/zinc/56/74/12/778567412.db2.gz WQDWTDPWAVQNSB-HOTGVXAUSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(Cl)c1 ZINC001235925017 778611194 /nfs/dbraw/zinc/61/11/94/778611194.db2.gz GEXRUPYLLAUIBM-ZDUSSCGKSA-N 2 0 252.789 2.962 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])c(OCC)c1 ZINC001235925230 778611336 /nfs/dbraw/zinc/61/13/36/778611336.db2.gz LMRWGGLZBFUCPJ-HNNXBMFYSA-N 2 0 292.423 2.797 20 0 CFADRP CS[C@@H](C)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001208137017 769864522 /nfs/dbraw/zinc/86/45/22/769864522.db2.gz FRSXUZDJOCBCCT-ZDUSSCGKSA-N 2 0 256.459 2.688 20 0 CFADRP C[N@@H+]1CCC[C@H](CN2CCC[C@@H]3CCCC[C@H]32)C1 ZINC001208612351 769912236 /nfs/dbraw/zinc/91/22/36/769912236.db2.gz MVZGFGMXFVUFEV-HRCADAONSA-N 2 0 250.430 2.983 20 0 CFADRP COc1cc(C)c(C)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806784 769984445 /nfs/dbraw/zinc/98/44/45/769984445.db2.gz HLVHWQBMIQKQNU-CABCVRRESA-N 2 0 276.424 2.871 20 0 CFADRP C[N@@H+]1CC[C@H](Nc2ccc3c(c2)[nH]c2cc[nH+]cc23)C1 ZINC001167280942 770206161 /nfs/dbraw/zinc/20/61/61/770206161.db2.gz JCKALUWXAFJTNC-LBPRGKRZSA-N 2 0 266.348 2.832 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000134003023 770249776 /nfs/dbraw/zinc/24/97/76/770249776.db2.gz GQRKSLKKRLUPML-AWEZNQCLSA-N 2 0 276.424 2.597 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc(C)c1F ZINC001143379450 770253050 /nfs/dbraw/zinc/25/30/50/770253050.db2.gz CGNJSAJLNDQXIU-CVEARBPZSA-N 2 0 276.399 2.826 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000723701818 770653232 /nfs/dbraw/zinc/65/32/32/770653232.db2.gz RFCGZTPALQRFLG-VIFPVBQESA-N 2 0 289.242 2.681 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000690738861 770883252 /nfs/dbraw/zinc/88/32/52/770883252.db2.gz IJYQHHUHYWDNID-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000690744049 770938661 /nfs/dbraw/zinc/93/86/61/770938661.db2.gz WVJJJTGQNCMUFY-LBPRGKRZSA-N 2 0 252.789 2.819 20 0 CFADRP CCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167636574 773204454 /nfs/dbraw/zinc/20/44/54/773204454.db2.gz VNZSFZGDUNARSN-INIZCTEOSA-N 2 0 297.487 2.535 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1Br ZINC000690758391 773223883 /nfs/dbraw/zinc/22/38/83/773223883.db2.gz XPBNZKVMFQILGZ-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP FC1(C2CC2)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000724802412 775109691 /nfs/dbraw/zinc/10/96/91/775109691.db2.gz NJMUBDGCQIVSJI-UHFFFAOYSA-N 2 0 268.420 2.980 20 0 CFADRP FC1(C2CC2)CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000724802152 775110311 /nfs/dbraw/zinc/11/03/11/775110311.db2.gz LEUJONQMOUTOID-LQDVMPOASA-N 2 0 266.404 2.731 20 0 CFADRP C[N@H+](C[C@@H]1CCOc2ccccc21)C1CCC([NH3+])CC1 ZINC000161793261 775141878 /nfs/dbraw/zinc/14/18/78/775141878.db2.gz ZXBNTCFRYJYOOZ-NFOMZHRRSA-N 2 0 274.408 2.754 20 0 CFADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC1CC[NH+](C)CC1)C2 ZINC001224455454 775190715 /nfs/dbraw/zinc/19/07/15/775190715.db2.gz UHWNOVBEZUIQJQ-FVQHAEBGSA-N 2 0 280.456 2.749 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CCCCC1 ZINC000405253258 775198645 /nfs/dbraw/zinc/19/86/45/775198645.db2.gz JEWLQBNGFDVZCK-OLZOCXBDSA-N 2 0 268.470 2.912 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721562696 775233785 /nfs/dbraw/zinc/23/37/85/775233785.db2.gz VUBFBQYPAWJWOC-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP CSCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000725114113 775274597 /nfs/dbraw/zinc/27/45/97/775274597.db2.gz ZBAAWZDVQMWYMI-MRXNPFEDSA-N 2 0 278.465 2.981 20 0 CFADRP CSCc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000725115121 775274959 /nfs/dbraw/zinc/27/49/59/775274959.db2.gz SAJOMGQZMODZAE-UHFFFAOYSA-N 2 0 266.454 2.981 20 0 CFADRP CSCc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000725115510 775276875 /nfs/dbraw/zinc/27/68/75/775276875.db2.gz UIKZDENUPOYZOW-CYBMUJFWSA-N 2 0 266.454 2.979 20 0 CFADRP C[NH+](C)CC[C@H](OC[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC001224817973 775282440 /nfs/dbraw/zinc/28/24/40/775282440.db2.gz FJRDPNXCYLKUQR-KBPBESRZSA-N 2 0 282.453 2.852 20 0 CFADRP CCOC(=N)CCCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001224964053 775318943 /nfs/dbraw/zinc/31/89/43/775318943.db2.gz RZFVDXZPXCRKDR-BTTYYORXSA-N 2 0 268.401 2.812 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC3(CC[C@H](F)C3)CC2)CC1 ZINC001207398891 775357448 /nfs/dbraw/zinc/35/74/48/775357448.db2.gz UINBQGMCYZSPCJ-HNNXBMFYSA-N 2 0 268.420 2.932 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225333843 775415181 /nfs/dbraw/zinc/41/51/81/775415181.db2.gz QLKCMZZNAOLHIW-INIZCTEOSA-N 2 0 262.397 2.610 20 0 CFADRP C[NH+](C)Cc1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001225331955 775415744 /nfs/dbraw/zinc/41/57/44/775415744.db2.gz GWNRUIPPDXBJLQ-ALXJQNPVSA-N 2 0 288.435 2.857 20 0 CFADRP Cc1nc2ccc(-n3ccc(C[NH3+])cc3=N)cc2n1C(C)C ZINC001167692568 775441447 /nfs/dbraw/zinc/44/14/47/775441447.db2.gz QPHOILDNEPSNTJ-UHFFFAOYSA-N 2 0 295.390 2.654 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000721621698 775447448 /nfs/dbraw/zinc/44/74/48/775447448.db2.gz VTNJZNAEFBGHBP-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(N2CC[NH+](CC3(C)CC[NH2+]CC3)CC2)cc1 ZINC001204621891 775510108 /nfs/dbraw/zinc/51/01/08/775510108.db2.gz QMZOSKBPQALAPQ-UHFFFAOYSA-N 2 0 287.451 2.507 20 0 CFADRP C[NH+]1CCC2(C[NH+](CCc3cccc(Cl)c3)C2)CC1 ZINC001207425140 775546205 /nfs/dbraw/zinc/54/62/05/775546205.db2.gz CGLMPUMKDDUXBL-UHFFFAOYSA-N 2 0 278.827 2.910 20 0 CFADRP Cc1cc(N2CC3(CC[N@@H+]3C3CCCC3)C2)cc[nH+]1 ZINC001277065433 775565567 /nfs/dbraw/zinc/56/55/67/775565567.db2.gz XKCLGENGZWNPSX-UHFFFAOYSA-N 2 0 257.381 2.597 20 0 CFADRP Cc1ccccc1O[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207438026 775663955 /nfs/dbraw/zinc/66/39/55/775663955.db2.gz RNFTXXRCMLLKKF-QGZVFWFLSA-N 2 0 288.435 2.838 20 0 CFADRP CSC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCCC1 ZINC000328558385 775750612 /nfs/dbraw/zinc/75/06/12/775750612.db2.gz COJCICBHBDFURC-BTFPBAQTSA-N 2 0 280.481 2.638 20 0 CFADRP CCC[NH+]1C[C@H]2C[NH+](CCc3ccccc3OC)C[C@@H]2C1 ZINC001207461551 775805157 /nfs/dbraw/zinc/80/51/57/775805157.db2.gz VATVOCNTZOZUNP-IRXDYDNUSA-N 2 0 288.435 2.511 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000925519309 775842259 /nfs/dbraw/zinc/84/22/59/775842259.db2.gz MAMLLNNIUQMCSH-GDBMZVCRSA-N 2 0 275.440 2.539 20 0 CFADRP CCc1ccccc1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001226783104 775964220 /nfs/dbraw/zinc/96/42/20/775964220.db2.gz FWCFREAAVAZHFU-UHFFFAOYSA-N 2 0 258.409 2.967 20 0 CFADRP CCCc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)s1 ZINC001222538924 776169934 /nfs/dbraw/zinc/16/99/34/776169934.db2.gz RLTJXLMGRUTWDF-UHFFFAOYSA-N 2 0 270.417 2.963 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cs1 ZINC001277309946 776517256 /nfs/dbraw/zinc/51/72/56/776517256.db2.gz DKOGFGREAXAIJP-UHFFFAOYSA-N 2 0 264.438 2.974 20 0 CFADRP C[NH2+]CC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000399407759 776531875 /nfs/dbraw/zinc/53/18/75/776531875.db2.gz JAYCUPCNGYVAMX-LLVKDONJSA-N 2 0 265.228 2.502 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1[NH3+] ZINC000399420228 776532708 /nfs/dbraw/zinc/53/27/08/776532708.db2.gz NFXUYZWGRXOJCS-MXWKQRLJSA-N 2 0 265.228 2.630 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC001167824698 776543853 /nfs/dbraw/zinc/54/38/53/776543853.db2.gz FMYDNQZWFNIARF-HNNXBMFYSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001167833600 776570130 /nfs/dbraw/zinc/57/01/30/776570130.db2.gz CXBQSHKSVLEOHH-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC001167834144 776573517 /nfs/dbraw/zinc/57/35/17/776573517.db2.gz ICPZJBNSTUMNOV-HRCADAONSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC001167834145 776574429 /nfs/dbraw/zinc/57/44/29/776574429.db2.gz ICPZJBNSTUMNOV-JYJNAYRXSA-N 2 0 270.461 2.996 20 0 CFADRP CCN1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)[C@H](C)C1 ZINC001167835852 776583202 /nfs/dbraw/zinc/58/32/02/776583202.db2.gz UQKYERMOJYPZID-HZPDHXFCSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCO2)CC1 ZINC001167838028 776588295 /nfs/dbraw/zinc/58/82/95/776588295.db2.gz OZWMDHVNTYNOQE-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(N2CCC(F)CC2)C1 ZINC001167837445 776588672 /nfs/dbraw/zinc/58/86/72/776588672.db2.gz KMOURUGHNWAXNP-HNNXBMFYSA-N 2 0 299.478 2.615 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C(C)=O ZINC001167838054 776588926 /nfs/dbraw/zinc/58/89/26/776588926.db2.gz PDCBTHHHJMMXAW-ZBFHGGJFSA-N 2 0 268.445 2.940 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@]12CCOC2 ZINC001167839459 776590941 /nfs/dbraw/zinc/59/09/41/776590941.db2.gz XTIHYTQLRVAJRP-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC001167838712 776591103 /nfs/dbraw/zinc/59/11/03/776591103.db2.gz WIUZYNWPXPHGMH-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001167839497 776591249 /nfs/dbraw/zinc/59/12/49/776591249.db2.gz YKXNRYYCEGEZIZ-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001167840397 776599926 /nfs/dbraw/zinc/59/99/26/776599926.db2.gz GCFFHQLNNYRGBW-GVDBMIGSSA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001167842469 776612973 /nfs/dbraw/zinc/61/29/73/776612973.db2.gz XWFAPXNHYKHIPJ-SJORKVTESA-N 3 0 281.488 2.525 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CC3(C2)CCC[NH2+]C3)CC(C)(C)C1 ZINC000709848023 776782114 /nfs/dbraw/zinc/78/21/14/776782114.db2.gz CZEHIBIPMAXZMK-ZIAGYGMSSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167906092 776795632 /nfs/dbraw/zinc/79/56/32/776795632.db2.gz QQCXXYGHMRAAFH-BJWYYQGGSA-N 2 0 258.409 2.679 20 0 CFADRP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167911658 776833082 /nfs/dbraw/zinc/83/30/82/776833082.db2.gz CLCYRZNYRFRBIR-SIXLDLHFSA-N 2 0 258.409 2.882 20 0 CFADRP CC[N@@H+]1CCC[C@H](Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229659369 776867420 /nfs/dbraw/zinc/86/74/20/776867420.db2.gz HAFGRMVBCVORNM-KRWDZBQOSA-N 2 0 276.424 2.654 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-n3ccnc3)cc1)C2 ZINC001229950286 776922376 /nfs/dbraw/zinc/92/23/76/776922376.db2.gz KAOFSAIWTUERFV-QLPKVWCKSA-N 2 0 283.375 2.876 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-n3ccnc3)cc1)C2 ZINC001229950287 776922441 /nfs/dbraw/zinc/92/24/41/776922441.db2.gz KAOFSAIWTUERFV-SCAQPMJSSA-N 2 0 283.375 2.876 20 0 CFADRP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167936484 776979480 /nfs/dbraw/zinc/97/94/80/776979480.db2.gz OFXYTGPRNNCVAQ-FZKCQIBNSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@]1([NH3+])CCCN(Cc2cccc3c2CCCC3)C1 ZINC001204947444 776985902 /nfs/dbraw/zinc/98/59/02/776985902.db2.gz YKNXQMFSKCQCFR-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167941514 776992938 /nfs/dbraw/zinc/99/29/38/776992938.db2.gz ZYDIMVVLEUKMOV-RHQZKXFESA-N 2 0 282.431 2.849 20 0 CFADRP CC1(C)CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2CN)C1 ZINC000721640573 777225737 /nfs/dbraw/zinc/22/57/37/777225737.db2.gz KXSPXQFSDTWLMP-CVEARBPZSA-N 2 0 258.409 2.951 20 0 CFADRP C[C@@]1(O)CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167959030 777280320 /nfs/dbraw/zinc/28/03/20/777280320.db2.gz NGXLRISOXFDHPC-APQKRDRJSA-N 2 0 292.467 2.675 20 0 CFADRP COc1cccc2c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001231896608 777372475 /nfs/dbraw/zinc/37/24/75/777372475.db2.gz ABRYGTPDTRIOJP-GOSISDBHSA-N 2 0 299.418 2.704 20 0 CFADRP COc1cccc2c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)c[nH]c21 ZINC001231896611 777373010 /nfs/dbraw/zinc/37/30/10/777373010.db2.gz ABRYGTPDTRIOJP-SFHVURJKSA-N 2 0 299.418 2.704 20 0 CFADRP OC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167965912 777409559 /nfs/dbraw/zinc/40/95/59/777409559.db2.gz PYMPHGFEPXOOQF-NUIAMIPMSA-N 2 0 292.467 2.533 20 0 CFADRP c1c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232011509 777411234 /nfs/dbraw/zinc/41/12/34/777411234.db2.gz DXFGYJAZLYNBCP-WBMJQRKESA-N 2 0 271.364 2.564 20 0 CFADRP CC(C)[N@H+](CCCCCO)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015136 777412504 /nfs/dbraw/zinc/41/25/04/777412504.db2.gz BKNTWDAQGPHBJQ-UHFFFAOYSA-N 2 0 275.396 2.936 20 0 CFADRP F[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167966676 777423022 /nfs/dbraw/zinc/42/30/22/777423022.db2.gz YTHFBDKKNSKCIR-NGEFAJANSA-N 2 0 266.404 2.730 20 0 CFADRP FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167975845 777444910 /nfs/dbraw/zinc/44/49/10/777444910.db2.gz XFKGGTGBZGABAL-GOOCMWNKSA-N 2 0 266.404 2.874 20 0 CFADRP CCCO[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145764 777451529 /nfs/dbraw/zinc/45/15/29/777451529.db2.gz ADWLVUKAISWBTD-QGZVFWFLSA-N 2 0 294.414 2.888 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC001232149279 777452738 /nfs/dbraw/zinc/45/27/38/777452738.db2.gz KOBUDGGCEJQTNH-KRWDZBQOSA-N 2 0 292.398 2.642 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cnsc2)CC1 ZINC001232227287 777482743 /nfs/dbraw/zinc/48/27/43/777482743.db2.gz JWLBMEGIORUPTE-UHFFFAOYSA-N 2 0 267.442 2.695 20 0 CFADRP CCOc1ccc(CN(C)C2CC[NH+](CC)CC2)c(C)n1 ZINC001232312555 777517340 /nfs/dbraw/zinc/51/73/40/777517340.db2.gz FYOYLKOFHXVHNF-UHFFFAOYSA-N 2 0 291.439 2.705 20 0 CFADRP NC(=[NH2+])N(c1ccc(F)cc1)c1cccc2c1C[NH2+]CC2 ZINC001167991501 777521803 /nfs/dbraw/zinc/52/18/03/777521803.db2.gz IQTLJMPIFPWEFD-UHFFFAOYSA-N 2 0 284.338 2.503 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168004974 777572954 /nfs/dbraw/zinc/57/29/54/777572954.db2.gz CVAIJGGFJOWZPS-SCAQPMJSSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168004934 777573138 /nfs/dbraw/zinc/57/31/38/777573138.db2.gz CFMQTPWAAIPYBL-ALXJQNPVSA-N 2 0 290.451 2.790 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000696594326 777588549 /nfs/dbraw/zinc/58/85/49/777588549.db2.gz APJFDBARNCTNTR-GRYCIOLGSA-N 2 0 260.372 2.646 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2N)CC1 ZINC001232510971 777588989 /nfs/dbraw/zinc/58/89/89/777588989.db2.gz PJRAEFSULUVXLP-UHFFFAOYSA-N 2 0 293.430 2.960 20 0 CFADRP COc1cccc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001232625302 777622344 /nfs/dbraw/zinc/62/23/44/777622344.db2.gz NXLLTCODWJIKPF-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP C[C@@H]1C[C@@H](n2cc(C[NH3+])cn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012978 777628516 /nfs/dbraw/zinc/62/85/16/777628516.db2.gz GNYBKVMUJHTMOY-JLVBRIDZSA-N 2 0 298.434 2.956 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)C1 ZINC001205001022 777729840 /nfs/dbraw/zinc/72/98/40/777729840.db2.gz NGTBVUWVIPPGIE-JYJNAYRXSA-N 2 0 250.430 2.910 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)=C[C@H]2C)C1 ZINC001205001045 777729959 /nfs/dbraw/zinc/72/99/59/777729959.db2.gz NGTBVUWVIPPGIE-PMPSAXMXSA-N 2 0 250.430 2.910 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccc4c3CCO4)C2)CC1 ZINC001233277174 777859716 /nfs/dbraw/zinc/85/97/16/777859716.db2.gz QLSYNVHXVDPIJE-UHFFFAOYSA-N 2 0 286.419 2.539 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001168068389 777917318 /nfs/dbraw/zinc/91/73/18/777917318.db2.gz YHCDHAJWZYEYSP-CRAIPNDOSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001168086398 777993432 /nfs/dbraw/zinc/99/34/32/777993432.db2.gz FSYRVHUJSULOQZ-OLZOCXBDSA-N 2 0 268.445 2.795 20 0 CFADRP CCCC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168092123 778020545 /nfs/dbraw/zinc/02/05/45/778020545.db2.gz FDNXELMVLYHGGH-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001277799589 778034507 /nfs/dbraw/zinc/03/45/07/778034507.db2.gz ZNFFFNXSBLDPGE-UHFFFAOYSA-N 2 0 279.453 2.758 20 0 CFADRP CC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277808432 778080186 /nfs/dbraw/zinc/08/01/86/778080186.db2.gz XKHHADMDFPYYHR-HRCADAONSA-N 2 0 275.440 2.957 20 0 CFADRP CC(C)[NH+]1CCC(C[N@H+](C)[C@@H]2CCO[C@H](C)C2)CC1 ZINC001168127251 778115438 /nfs/dbraw/zinc/11/54/38/778115438.db2.gz DYLQEORAKNHBLK-GDBMZVCRSA-N 2 0 268.445 2.606 20 0 CFADRP CC1CCC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001168204652 778251347 /nfs/dbraw/zinc/25/13/47/778251347.db2.gz ZKHPXQATCMRFBN-UHFFFAOYSA-N 2 0 287.451 2.996 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001168245465 778270184 /nfs/dbraw/zinc/27/01/84/778270184.db2.gz ZPKMJRBHMUAEOH-GVDBMIGSSA-N 2 0 288.435 2.625 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+]1CCCCC1)C2 ZINC001168248768 778272338 /nfs/dbraw/zinc/27/23/38/778272338.db2.gz OZZBFUYGUXPWEQ-QGZVFWFLSA-N 2 0 288.435 2.628 20 0 CFADRP CC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277889691 778296796 /nfs/dbraw/zinc/29/67/96/778296796.db2.gz QOAPLHKFKMUUBX-CWRNSKLLSA-N 2 0 278.440 2.550 20 0 CFADRP CCOc1cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)ccc1C ZINC001234997644 778348866 /nfs/dbraw/zinc/34/88/66/778348866.db2.gz DAGLSIBHKAXJAS-SFHVURJKSA-N 2 0 288.435 2.969 20 0 CFADRP c1ccc(CCCCN2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235109439 778383572 /nfs/dbraw/zinc/38/35/72/778383572.db2.gz FAKNFCMFAOMXBR-QGZVFWFLSA-N 2 0 258.409 2.837 20 0 CFADRP [NH3+]CCCCC[NH+]1CCC2(CNc3ccccc32)CC1 ZINC001235139697 778395700 /nfs/dbraw/zinc/39/57/00/778395700.db2.gz LQJBIFCMPOWRAE-UHFFFAOYSA-N 2 0 273.424 2.575 20 0 CFADRP N[C@H](C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC001235151933 778398532 /nfs/dbraw/zinc/39/85/32/778398532.db2.gz KADMOTHDQQFZMP-MSOLQXFVSA-N 2 0 287.451 2.541 20 0 CFADRP Oc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235157020 778398831 /nfs/dbraw/zinc/39/88/31/778398831.db2.gz PVZOCQRNRXJVTJ-QGZVFWFLSA-N 2 0 292.398 2.885 20 0 CFADRP C(C[NH2+]C1CCCCC1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001235187411 778406669 /nfs/dbraw/zinc/40/66/69/778406669.db2.gz XKVMWTLXKQAATR-QGZVFWFLSA-N 2 0 280.456 2.801 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193890 778409322 /nfs/dbraw/zinc/40/93/22/778409322.db2.gz SARVJQVWFGQORJ-ARFHVFGLSA-N 2 0 250.430 2.910 20 0 CFADRP CNc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC001235191098 778409686 /nfs/dbraw/zinc/40/96/86/778409686.db2.gz LKFQBZFRXHBGOV-UHFFFAOYSA-N 2 0 273.424 2.836 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2)CC1 ZINC001168298336 778412145 /nfs/dbraw/zinc/41/21/45/778412145.db2.gz NNLKUYFHVMCNPF-GPANFISMSA-N 2 0 296.842 2.836 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCOc2cccc(F)c2)CC1 ZINC001168298208 778413008 /nfs/dbraw/zinc/41/30/08/778413008.db2.gz FNWBYEJIAIKCRG-UHFFFAOYSA-N 2 0 280.387 2.667 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2COc3ccc(F)cc32)CC1 ZINC001168300239 778415006 /nfs/dbraw/zinc/41/50/06/778415006.db2.gz QZIUVUYIVKTZFX-PIMMBPRGSA-N 2 0 278.371 2.722 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCCC2CC[NH+](C)CC2)CC1 ZINC001168305623 778419555 /nfs/dbraw/zinc/41/95/55/778419555.db2.gz QOJWJDUIQDREPN-UHFFFAOYSA-N 3 0 281.488 2.571 20 0 CFADRP CCC(CC)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235223133 778420374 /nfs/dbraw/zinc/42/03/74/778420374.db2.gz ARKWYAYWCGOVBY-RYUDHWBXSA-N 2 0 264.335 2.506 20 0 CFADRP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001235221829 778420907 /nfs/dbraw/zinc/42/09/07/778420907.db2.gz FJKXPWBNKLWOOQ-JKSUJKDBSA-N 2 0 262.441 2.888 20 0 CFADRP C(C[NH+]1CCCCC1)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232083 778422593 /nfs/dbraw/zinc/42/25/93/778422593.db2.gz GXYFLYWWEGVZQY-GOSISDBHSA-N 3 0 293.499 2.717 20 0 CFADRP Cc1cccnc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235228642 778422640 /nfs/dbraw/zinc/42/26/40/778422640.db2.gz JSAKSFVGRHPQKT-INIZCTEOSA-N 2 0 273.424 2.744 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230767 778423139 /nfs/dbraw/zinc/42/31/39/778423139.db2.gz QPTOFQNUUDTBHS-KRWDZBQOSA-N 2 0 290.455 2.818 20 0 CFADRP CSCCC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233533 778423612 /nfs/dbraw/zinc/42/36/12/778423612.db2.gz RNFISOZSKNREAK-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1cnccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232227 778424101 /nfs/dbraw/zinc/42/41/01/778424101.db2.gz WMBXNNVXUFJELG-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP c1cc(CCC[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccn1 ZINC001235233455 778424108 /nfs/dbraw/zinc/42/41/08/778424108.db2.gz QQCJZHOXHSONLS-GOSISDBHSA-N 2 0 287.451 2.868 20 0 CFADRP FC(F)(F)CC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234321 778424232 /nfs/dbraw/zinc/42/42/32/778424232.db2.gz XQJMXJNDQBWKBV-LBPRGKRZSA-N 2 0 264.335 2.793 20 0 CFADRP c1[nH]nc2c1cccc2C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237539 778426657 /nfs/dbraw/zinc/42/66/57/778426657.db2.gz CJGOONCXMWBRDF-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001168315915 778427561 /nfs/dbraw/zinc/42/75/61/778427561.db2.gz QURGUBSFOXTZSZ-UHFFFAOYSA-N 3 0 293.499 2.810 20 0 CFADRP CCOC(=O)CC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168319452 778429000 /nfs/dbraw/zinc/42/90/00/778429000.db2.gz UEVNDPZIGQCLQJ-UHFFFAOYSA-N 2 0 296.455 2.524 20 0 CFADRP c1[nH]c2cccnc2c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243389 778428937 /nfs/dbraw/zinc/42/89/37/778428937.db2.gz XJXNWZWQAXJJHH-MRXNPFEDSA-N 2 0 298.434 2.917 20 0 CFADRP c1[nH]nc2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)ccc12 ZINC001235243299 778428958 /nfs/dbraw/zinc/42/89/58/778428958.db2.gz WWHPLXXWDKBVCG-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP Nc1ccc(F)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235243249 778428967 /nfs/dbraw/zinc/42/89/67/778428967.db2.gz WQNIJIPAEVVLMF-KRWDZBQOSA-N 2 0 291.414 2.762 20 0 CFADRP Nc1ccc(F)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235243260 778429071 /nfs/dbraw/zinc/42/90/71/778429071.db2.gz WQNIJIPAEVVLMF-QGZVFWFLSA-N 2 0 291.414 2.762 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(-n3cccc3)cc1)C2 ZINC001235246286 778430242 /nfs/dbraw/zinc/43/02/42/778430242.db2.gz XHQSUJDRYPGSFO-SJLPKXTDSA-N 2 0 281.403 2.791 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001168324519 778431680 /nfs/dbraw/zinc/43/16/80/778431680.db2.gz QJMCWDKCLIUTCS-KLAILNCOSA-N 2 0 273.424 2.744 20 0 CFADRP COC(C)(C)[C@@H]1CCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168324417 778432036 /nfs/dbraw/zinc/43/20/36/778432036.db2.gz NUJJYGFOTOCFMS-NRXISQOPSA-N 2 0 268.445 2.749 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cc3cccc(F)c3[nH]1)CC2 ZINC001235249766 778432237 /nfs/dbraw/zinc/43/22/37/778432237.db2.gz VIXOLSUOYIQBSE-UHFFFAOYSA-N 2 0 287.382 2.835 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001168322520 778432323 /nfs/dbraw/zinc/43/23/23/778432323.db2.gz DKLCZYIBZSOXPD-GTPINHCMSA-N 2 0 273.424 2.744 20 0 CFADRP CC[N@H+](CCN1CCCCC1)C1CCC([NH+](C)C)CC1 ZINC001168328185 778434527 /nfs/dbraw/zinc/43/45/27/778434527.db2.gz YVOHHDALTHOCSF-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP CCCCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235257341 778435895 /nfs/dbraw/zinc/43/58/95/778435895.db2.gz YKEMJBMSXDCBEM-ULQDDVLXSA-N 2 0 258.409 2.951 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC001235267779 778439904 /nfs/dbraw/zinc/43/99/04/778439904.db2.gz IZOAFINBWDWJTP-FUHWJXTLSA-N 2 0 281.403 2.661 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc4oc5ccccc5c4c3)C[C@@H]12 ZINC001235284360 778442711 /nfs/dbraw/zinc/44/27/11/778442711.db2.gz LIXYDLOZUHHRLI-JLVBRIDZSA-N 2 0 278.355 2.975 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F)c1ccccc1 ZINC001235400366 778476043 /nfs/dbraw/zinc/47/60/43/778476043.db2.gz CLQPDCYHMPBHPA-HYVNUMGLSA-N 2 0 276.399 2.814 20 0 CFADRP CC1(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CCCCC1 ZINC001235400412 778476095 /nfs/dbraw/zinc/47/60/95/778476095.db2.gz CVCYQCWENNTWKD-GDBMZVCRSA-N 2 0 268.420 2.980 20 0 CFADRP CCCCC1CC[NH+](Cc2ccc3n2CC[NH2+]C3)CC1 ZINC001235433179 778487910 /nfs/dbraw/zinc/48/79/10/778487910.db2.gz RETUSSKRLKLPSW-UHFFFAOYSA-N 2 0 275.440 2.994 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697877661 778491450 /nfs/dbraw/zinc/49/14/50/778491450.db2.gz MFTVNPBKSGHPQQ-CHWSQXEVSA-N 2 0 252.377 2.687 20 0 CFADRP [NH3+]Cc1ccc2cn(C3CC[NH+](CC4CC4)CC3)nc2c1 ZINC001168363206 778519743 /nfs/dbraw/zinc/51/97/43/778519743.db2.gz VWLNBPNUQZVACC-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP [NH3+]CCCCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001235690041 778538329 /nfs/dbraw/zinc/53/83/29/778538329.db2.gz JOMORJCDUZIYNR-UHFFFAOYSA-N 2 0 295.858 2.587 20 0 CFADRP [NH3+]CCCCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC001235689792 778538438 /nfs/dbraw/zinc/53/84/38/778538438.db2.gz GXJHIGIKYLWXEL-UHFFFAOYSA-N 2 0 295.858 2.587 20 0 CFADRP C[C@H]1CNCC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1F ZINC001235691224 778538598 /nfs/dbraw/zinc/53/85/98/778538598.db2.gz GWEJPHPBRIFXFL-AAEUAGOBSA-N 2 0 286.341 2.748 20 0 CFADRP COc1cccc(CCC[N@H+](C)CCC2CC[NH2+]CC2)c1 ZINC001235715775 778545844 /nfs/dbraw/zinc/54/58/44/778545844.db2.gz WAZVHAGJQCQROS-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC001235726075 778548129 /nfs/dbraw/zinc/54/81/29/778548129.db2.gz MEOSNVWNJNSFPR-MRXNPFEDSA-N 2 0 262.397 2.832 20 0 CFADRP COc1cccc(CC[N@H+](C)CC[C@@H]2CCCC[NH2+]2)c1 ZINC001235840504 778576085 /nfs/dbraw/zinc/57/60/85/778576085.db2.gz ODXNEEVUDRANNR-INIZCTEOSA-N 2 0 276.424 2.702 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001235867797 778580162 /nfs/dbraw/zinc/58/01/62/778580162.db2.gz UNNYAKLSAFRZCC-UHFFFAOYSA-N 2 0 264.388 2.819 20 0 CFADRP CC[C@H]([NH3+])CN1CCC(Cc2ccc(F)cc2)CC1 ZINC001235863712 778584897 /nfs/dbraw/zinc/58/48/97/778584897.db2.gz HZYMNZQCXKBKHL-INIZCTEOSA-N 2 0 264.388 2.818 20 0 CFADRP C[C@H]1C[N@H+](CCCC[NH3+])CC[C@@]1(C)c1cccc(O)c1 ZINC001235867076 778585718 /nfs/dbraw/zinc/58/57/18/778585718.db2.gz MWAXEFXONORUPS-WMLDXEAASA-N 2 0 276.424 2.731 20 0 CFADRP [NH3+]CCc1cn(C2CC[NH+](CC3CC3)CC2)c2cc[nH+]cc12 ZINC001168366707 778590315 /nfs/dbraw/zinc/59/03/15/778590315.db2.gz YUVVIFNGNUVJFF-UHFFFAOYSA-N 3 0 298.434 2.584 20 0 CFADRP COC(=O)[C@@]1(C)CCC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235889437 778591605 /nfs/dbraw/zinc/59/16/05/778591605.db2.gz WIWZYAYAJQAQKP-KRWDZBQOSA-N 2 0 296.455 2.574 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929129 778612547 /nfs/dbraw/zinc/61/25/47/778612547.db2.gz IPDSDOHJUVVBSA-MSOLQXFVSA-N 2 0 272.436 2.894 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928693 778612606 /nfs/dbraw/zinc/61/26/06/778612606.db2.gz CHSKMRLSIWDINY-KBPBESRZSA-N 2 0 298.352 2.789 20 0 CFADRP c1ccc2cc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)ccc2c1 ZINC001235930955 778613988 /nfs/dbraw/zinc/61/39/88/778613988.db2.gz YQTCZBSGQWEGAM-MSOLQXFVSA-N 2 0 266.388 2.881 20 0 CFADRP c1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2cccccc1-2 ZINC001235933971 778615692 /nfs/dbraw/zinc/61/56/92/778615692.db2.gz AQBLCEKBKDTCGB-NVXWUHKLSA-N 2 0 266.388 2.833 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1CC ZINC001235936293 778616685 /nfs/dbraw/zinc/61/66/85/778616685.db2.gz GJUIBZWVNPMDNJ-IRXDYDNUSA-N 2 0 288.435 2.689 20 0 CFADRP CC(C)(C)Oc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235937991 778618238 /nfs/dbraw/zinc/61/82/38/778618238.db2.gz KFCPVXISCKXLRY-CVEARBPZSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235937057 778618300 /nfs/dbraw/zinc/61/83/00/778618300.db2.gz HVONLFLASFHOSD-ZBFHGGJFSA-N 2 0 258.409 2.851 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1C ZINC001235936791 778618357 /nfs/dbraw/zinc/61/83/57/778618357.db2.gz HEYPOZNOMUYFEH-WBVHZDCISA-N 2 0 258.409 2.653 20 0 CFADRP Clc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c21 ZINC001235940341 778619174 /nfs/dbraw/zinc/61/91/74/778619174.db2.gz SLWWNQIKMHKVJF-NWDGAFQWSA-N 2 0 289.810 2.863 20 0 CFADRP CC[C@H]1CCC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001235950065 778624178 /nfs/dbraw/zinc/62/41/78/778624178.db2.gz ZRZSIEXCVLUYJP-INIZCTEOSA-N 2 0 287.451 2.718 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001235959320 778627893 /nfs/dbraw/zinc/62/78/93/778627893.db2.gz NKNMDPVPGDCGQE-BJWYYQGGSA-N 2 0 258.409 2.678 20 0 CFADRP CCn1ccc2c1cccc2C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958720 778628088 /nfs/dbraw/zinc/62/80/88/778628088.db2.gz CEDXHDPMBLBQIT-JLVBRIDZSA-N 2 0 283.419 2.830 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCCc1ccccc1Cl)C2 ZINC001235960547 778630000 /nfs/dbraw/zinc/63/00/00/778630000.db2.gz ZMICASWIKYSXFR-MIFYACCESA-N 2 0 278.827 2.942 20 0 CFADRP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001235963913 778631194 /nfs/dbraw/zinc/63/11/94/778631194.db2.gz XYPPQNKHWLZMPC-IXDOHACOSA-N 2 0 298.471 2.628 20 0 CFADRP COc1cc(C)ccc1OC1CC[NH+](CCCC[NH3+])CC1 ZINC001235971832 778634260 /nfs/dbraw/zinc/63/42/60/778634260.db2.gz BEESOZZSVLNOLR-UHFFFAOYSA-N 2 0 292.423 2.586 20 0 CFADRP C[C@@H]([NH3+])c1cccc(-c2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC001235974274 778635419 /nfs/dbraw/zinc/63/54/19/778635419.db2.gz DQPIJJLSHLAFEA-CQSZACIVSA-N 2 0 296.418 2.520 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[NH+]2CCC3(CC[C@@H](F)C3)CC2)CO1 ZINC001235985364 778640768 /nfs/dbraw/zinc/64/07/68/778640768.db2.gz KGQQLMJRXJMHQK-KGLIPLIRSA-N 2 0 284.419 2.705 20 0 CFADRP CCc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001236009385 778654286 /nfs/dbraw/zinc/65/42/86/778654286.db2.gz SSUPTNADLLAVSR-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C3CC3)C3C[NH2+]C3)cc21 ZINC001236063093 778675742 /nfs/dbraw/zinc/67/57/42/778675742.db2.gz FZPFPIYCOAWXDO-UHFFFAOYSA-N 2 0 297.446 2.624 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@@H]2CC=C(C)C2(C)C)C1 ZINC001236068298 778679778 /nfs/dbraw/zinc/67/97/78/778679778.db2.gz XQEMYBGPTYNOJX-GJZGRUSLSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236072185 778681588 /nfs/dbraw/zinc/68/15/88/778681588.db2.gz PHLRFWXSXLKOQI-RHSMWYFYSA-N 2 0 258.409 2.965 20 0 CFADRP CCC[N@H+](CCCC[NH3+])[C@@H](C)C(=O)Nc1ccccc1C ZINC001236088728 778686893 /nfs/dbraw/zinc/68/68/93/778686893.db2.gz IIAQJEPAPZSPSG-HNNXBMFYSA-N 2 0 291.439 2.773 20 0 CFADRP C(C1CC2(C1)CC[NH2+]CC2)[NH+]1CC2CCC(CC2)C1 ZINC001236088624 778686980 /nfs/dbraw/zinc/68/69/80/778686980.db2.gz GVUHYSDQUYGUAQ-UHFFFAOYSA-N 2 0 262.441 2.888 20 0 CFADRP COc1ccc(C[C@H]2CCC[N@H+](CCCC[NH3+])C2)cc1 ZINC001236093958 778688719 /nfs/dbraw/zinc/68/87/19/778688719.db2.gz ZBFOTEOPRYQVHR-MRXNPFEDSA-N 2 0 276.424 2.689 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001236189260 778730586 /nfs/dbraw/zinc/73/05/86/778730586.db2.gz JZKSRCKRFPNCRE-CYBMUJFWSA-N 2 0 254.324 2.841 20 0 CFADRP CN(CCC[NH2+]C1CCCCC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215929 778740164 /nfs/dbraw/zinc/74/01/64/778740164.db2.gz ZABGJWUEJYLEHZ-CVEARBPZSA-N 2 0 267.461 2.501 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224066 778745100 /nfs/dbraw/zinc/74/51/00/778745100.db2.gz RWFOXLNUNHQNDL-HAQNSBGRSA-N 2 0 298.333 2.710 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1(C)CC[NH2+]CC1 ZINC001236226576 778746097 /nfs/dbraw/zinc/74/60/97/778746097.db2.gz OZADSCZGXUFFNL-UHFFFAOYSA-N 2 0 298.333 2.582 20 0 CFADRP Cc1ccc(C[N@H+](C)Cc2ccc3n2CC[NH2+]C3)cc1C ZINC001236240060 778748619 /nfs/dbraw/zinc/74/86/19/778748619.db2.gz ICAVGBWHZLSAMY-UHFFFAOYSA-N 2 0 283.419 2.840 20 0 CFADRP [NH3+]C12CC(CCN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)(C1)C2 ZINC001236268470 778757392 /nfs/dbraw/zinc/75/73/92/778757392.db2.gz FCBFSUUFSIUNNF-LMDPOFIKSA-N 2 0 299.462 2.512 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CCCCC1)CCn1ccnc1 ZINC001236273957 778757807 /nfs/dbraw/zinc/75/78/07/778757807.db2.gz AJBSDECXQPXODR-UHFFFAOYSA-N 2 0 278.444 2.517 20 0 CFADRP Fc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(F)c1F ZINC001236314274 778773936 /nfs/dbraw/zinc/77/39/36/778773936.db2.gz ANBIULMYGLVJAR-TXEJJXNPSA-N 2 0 284.325 2.535 20 0 CFADRP c1c2ccccc2[nH]c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317338 778776753 /nfs/dbraw/zinc/77/67/53/778776753.db2.gz VZAVQVRGZIPFKE-GASCZTMLSA-N 2 0 269.392 2.599 20 0 CFADRP CSc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236319896 778777529 /nfs/dbraw/zinc/77/75/29/778777529.db2.gz HBAVHSYEOCHBAK-TXEJJXNPSA-N 2 0 282.478 2.901 20 0 CFADRP COc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320713 778777951 /nfs/dbraw/zinc/77/79/51/778777951.db2.gz BWVIXUNNUTWAQA-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP c1c2cccnc2sc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321457 778778953 /nfs/dbraw/zinc/77/89/53/778778953.db2.gz RVMDKDWJJHOSCO-OKILXGFUSA-N 2 0 287.432 2.728 20 0 CFADRP Cc1ccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cccc2n1 ZINC001236321182 778779372 /nfs/dbraw/zinc/77/93/72/778779372.db2.gz JITZSANGEAWTHN-IYBDPMFKSA-N 2 0 295.430 2.975 20 0 CFADRP Nc1ccc(C2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236334633 778784882 /nfs/dbraw/zinc/78/48/82/778784882.db2.gz BYOUVEOGUDIVOI-OAHLLOKOSA-N 2 0 287.451 2.838 20 0 CFADRP Nc1ccc(C2CC[NH+](CCCCC[NH3+])CC2)cc1 ZINC001236334584 778784995 /nfs/dbraw/zinc/78/49/95/778784995.db2.gz ANNRJWCTMPQOSW-UHFFFAOYSA-N 2 0 261.413 2.577 20 0 CFADRP [NH3+]CCCCCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373879 778796388 /nfs/dbraw/zinc/79/63/88/778796388.db2.gz MPMMFVHHPPPDAK-INIZCTEOSA-N 3 0 281.488 2.750 20 0 CFADRP CC/C=C\CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236410106 778804916 /nfs/dbraw/zinc/80/49/16/778804916.db2.gz DYZWIYVBWSLRRA-UDLYIEAKSA-N 2 0 296.455 2.725 20 0 CFADRP C[N@H+](CCCc1ccccc1C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411043 778806550 /nfs/dbraw/zinc/80/65/50/778806550.db2.gz FAKISLJLTMZFOH-NHAGDIPZSA-N 2 0 298.352 2.788 20 0 CFADRP C[NH+](C)Cc1cccc(-c2[nH+]ccc3c2CCN3)c1 ZINC001236417180 778810710 /nfs/dbraw/zinc/81/07/10/778810710.db2.gz QAVANJPTTVMKGJ-UHFFFAOYSA-N 2 0 253.349 2.778 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cccc(C[NH+](C)C)c2)nc1 ZINC001236417495 778811396 /nfs/dbraw/zinc/81/13/96/778811396.db2.gz IKWNUMKOKMSDOZ-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP Cc1cnc(-c2cccc(C[NH+](C)C)c2)c(C[NH3+])c1 ZINC001236417331 778811955 /nfs/dbraw/zinc/81/19/55/778811955.db2.gz RGKFUQUZSNZMSR-UHFFFAOYSA-N 2 0 255.365 2.577 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2cccc(C[NH+](C)C)c2)cn1 ZINC001236426418 778821380 /nfs/dbraw/zinc/82/13/80/778821380.db2.gz OAIIYZIYPTUUGA-LBPRGKRZSA-N 2 0 255.365 2.830 20 0 CFADRP CCOCC[N@H+](Cc1c(C)cccc1C)C1CC[NH2+]CC1 ZINC001236460348 778834051 /nfs/dbraw/zinc/83/40/51/778834051.db2.gz PHUHTQVXNHBHQX-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168402935 778836814 /nfs/dbraw/zinc/83/68/14/778836814.db2.gz HOXZDWNOGFODLK-IRXDYDNUSA-N 2 0 276.399 2.757 20 0 CFADRP CC(C)N(CC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236469112 778837095 /nfs/dbraw/zinc/83/70/95/778837095.db2.gz PIOKBTPNBWBLSJ-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)CN(CC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236474155 778840937 /nfs/dbraw/zinc/84/09/37/778840937.db2.gz NTHQDKMECOBHIU-QGZVFWFLSA-N 2 0 295.515 2.818 20 0 CFADRP [NH3+]CCN(CCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC001236520863 778857606 /nfs/dbraw/zinc/85/76/06/778857606.db2.gz BPLDFCKTMBHGFH-UHFFFAOYSA-N 2 0 289.467 2.760 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3c(c2)C[NH2+]C3)CC2CC2)CC1 ZINC001236551286 778875756 /nfs/dbraw/zinc/87/57/56/778875756.db2.gz NUEGJUZNWJYQIC-WGSAOQKQSA-N 3 0 299.462 2.772 20 0 CFADRP CCNCC[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565841 778877726 /nfs/dbraw/zinc/87/77/26/778877726.db2.gz OXSKGJGQDUVMDT-KOMQPUFPSA-N 2 0 267.461 2.501 20 0 CFADRP c1ccc2c(c1)CC(C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1)C2 ZINC001236584641 778886025 /nfs/dbraw/zinc/88/60/25/778886025.db2.gz MYXMMYXAZWJUQH-HNNXBMFYSA-N 2 0 284.447 2.865 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2-c2cncc(O)c2)CC1 ZINC001236585067 778887017 /nfs/dbraw/zinc/88/70/17/778887017.db2.gz JNAZXEQWZYDJTB-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP Cc1nc(C)c(C[N@@H+](C(C)C)C2CCN(C)CC2)o1 ZINC001236603167 778891035 /nfs/dbraw/zinc/89/10/35/778891035.db2.gz XTNBRKWWXYNXCR-UHFFFAOYSA-N 2 0 265.401 2.596 20 0 CFADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC001236623407 778896685 /nfs/dbraw/zinc/89/66/85/778896685.db2.gz UDVNYHSXOMVXQN-LZLYRXPVSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)(C)C[N@H+](CCCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766531 778930133 /nfs/dbraw/zinc/93/01/33/778930133.db2.gz ACSHYJWEUWEDJC-SHTZXODSSA-N 2 0 270.461 2.767 20 0 CFADRP CC(C)(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767558 778930631 /nfs/dbraw/zinc/93/06/31/778930631.db2.gz JNVNVVXUMUMULV-BRWVUGGUSA-N 3 0 295.515 2.994 20 0 CFADRP CCC(CC)[N@H+](C[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782226 778933572 /nfs/dbraw/zinc/93/35/72/778933572.db2.gz FSADZIPDKBHMGQ-BFYDXBDKSA-N 2 0 281.488 2.889 20 0 CFADRP CCC(CC)[N@H+](CC1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783793 778936148 /nfs/dbraw/zinc/93/61/48/778936148.db2.gz ZYPDJTBMKQUFOO-JCNLHEQBSA-N 3 0 281.488 2.747 20 0 CFADRP Cc1cc(F)cc(Cl)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236826968 778955526 /nfs/dbraw/zinc/95/55/26/778955526.db2.gz DMSPNCOUOMMCHK-PSOPSSQASA-N 2 0 282.790 2.957 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236829441 778956460 /nfs/dbraw/zinc/95/64/60/778956460.db2.gz KKBBWHCRRGDULM-YUTCNCBUSA-N 2 0 264.800 2.818 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc4c3CCCC4)C[C@@H]12 ZINC001236827267 778956597 /nfs/dbraw/zinc/95/65/97/778956597.db2.gz DZFWVKUGTNLVPN-CGTJXYLNSA-N 2 0 270.420 2.735 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC001236832634 778958093 /nfs/dbraw/zinc/95/80/93/778958093.db2.gz WHHDPRFHOWYDLH-ULQDDVLXSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(ccn2C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836875 778961039 /nfs/dbraw/zinc/96/10/39/778961039.db2.gz YVXFBXADJVKTIJ-MRXNPFEDSA-N 2 0 285.435 3.000 20 0 CFADRP Fc1ccc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237143411 779025410 /nfs/dbraw/zinc/02/54/10/779025410.db2.gz FGXIHMPLUDPNED-MRXNPFEDSA-N 2 0 262.372 2.932 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(O)cc(F)c1)CC2 ZINC001237283440 779067248 /nfs/dbraw/zinc/06/72/48/779067248.db2.gz LBQVLBPPJRYTOH-UHFFFAOYSA-N 2 0 292.398 2.839 20 0 CFADRP Fc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237374002 779084792 /nfs/dbraw/zinc/08/47/92/779084792.db2.gz AJUWHUXRIVUUKD-RDJZCZTQSA-N 2 0 276.399 2.832 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2c1 ZINC001237388148 779091556 /nfs/dbraw/zinc/09/15/56/779091556.db2.gz CKAFJRCGXPOXMH-WBVHZDCISA-N 2 0 281.403 2.809 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237391300 779093686 /nfs/dbraw/zinc/09/36/86/779093686.db2.gz KUADVLXKRSGGFT-AEFFLSMTSA-N 2 0 281.403 2.809 20 0 CFADRP Cc1c(F)cc(F)cc1CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237405110 779098909 /nfs/dbraw/zinc/09/89/09/779098909.db2.gz PKINYHWIGVBJOU-BLLLJJGKSA-N 2 0 280.362 2.847 20 0 CFADRP c1nc2cc(CN3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc2s1 ZINC001237405561 779099282 /nfs/dbraw/zinc/09/92/82/779099282.db2.gz RJGABVHSYGHHOC-KBPBESRZSA-N 2 0 287.432 2.870 20 0 CFADRP Fc1cc2cc[nH]c2c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237413665 779102463 /nfs/dbraw/zinc/10/24/63/779102463.db2.gz KMPHPJRDAAJZSG-CJNGLKHVSA-N 2 0 287.382 2.881 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001168455180 779182577 /nfs/dbraw/zinc/18/25/77/779182577.db2.gz DGVISQCBORRPTI-CJNGLKHVSA-N 2 0 264.388 2.831 20 0 CFADRP COc1ccoc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001237872428 779196293 /nfs/dbraw/zinc/19/62/93/779196293.db2.gz UVHZYRCWAUAQLZ-UHFFFAOYSA-N 2 0 292.423 2.842 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CCC(O)CC3)cc21 ZINC001237876042 779197617 /nfs/dbraw/zinc/19/76/17/779197617.db2.gz BZDKYLWNLFEFMF-UHFFFAOYSA-N 2 0 286.419 2.645 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1CC ZINC001205101385 779208508 /nfs/dbraw/zinc/20/85/08/779208508.db2.gz DVYOYBKIGVDZEH-MRXNPFEDSA-N 2 0 276.424 2.961 20 0 CFADRP Cc1sccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001237968909 779218864 /nfs/dbraw/zinc/21/88/64/779218864.db2.gz RQEWBYHJKPIQCL-UHFFFAOYSA-N 2 0 250.411 2.584 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000699525773 779288989 /nfs/dbraw/zinc/28/89/89/779288989.db2.gz MWOAYMNWGXYRDA-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001205116936 779259165 /nfs/dbraw/zinc/25/91/65/779259165.db2.gz JNNVGTBPJRAILH-NSHDSACASA-N 2 0 278.787 2.530 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000699456599 779265330 /nfs/dbraw/zinc/26/53/30/779265330.db2.gz MTWJIIIDUVDXNM-IRXDYDNUSA-N 2 0 276.424 2.523 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCC2(O)CCCCC2)CC1 ZINC000715228589 779299258 /nfs/dbraw/zinc/29/92/58/779299258.db2.gz OZBPSXIAHNOAFM-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001168494955 779342672 /nfs/dbraw/zinc/34/26/72/779342672.db2.gz DZEVNBCQSVKXTQ-CQSZACIVSA-N 2 0 276.399 2.784 20 0 CFADRP CC1=C[C@H](C)[C@H](C[N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001235433620 779352980 /nfs/dbraw/zinc/35/29/80/779352980.db2.gz LAZPGUNJDFYAIY-HOCLYGCPSA-N 2 0 250.430 2.910 20 0 CFADRP Cc1cc(OC(F)(F)F)ccc1C[N@H+](C)CCC[NH3+] ZINC001235435583 779353022 /nfs/dbraw/zinc/35/30/22/779353022.db2.gz QRSFRFGRXNVJQL-UHFFFAOYSA-N 2 0 276.302 2.674 20 0 CFADRP CSc1ncc(C)cc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001238718139 779375582 /nfs/dbraw/zinc/37/55/82/779375582.db2.gz IWSMLVWREMUGLJ-UHFFFAOYSA-N 2 0 291.464 2.640 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)CC(C)(C)C ZINC001235929819 779409668 /nfs/dbraw/zinc/40/96/68/779409668.db2.gz UTBNLLGAADFIFO-KFWWJZLASA-N 2 0 252.446 2.990 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1)CC(C)(C)C ZINC001235929818 779409856 /nfs/dbraw/zinc/40/98/56/779409856.db2.gz UTBNLLGAADFIFO-ILXRZTDVSA-N 2 0 252.446 2.990 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCCCCCCCC(=O)OC)C1 ZINC001236069004 779457396 /nfs/dbraw/zinc/45/73/96/779457396.db2.gz ZZMOFYOPQPIFFI-MRXNPFEDSA-N 2 0 298.471 2.822 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)sc1C ZINC001237418162 779686602 /nfs/dbraw/zinc/68/66/02/779686602.db2.gz WNKWFQUXTGIULI-ZFWWWQNUSA-N 2 0 264.438 2.939 20 0 CFADRP Cc1cnc(C)c(-c2cccc(CN3CC[C@H]([NH3+])C3)c2)c1 ZINC001239907271 779854076 /nfs/dbraw/zinc/85/40/76/779854076.db2.gz MKZPCZKTLMQPKD-KRWDZBQOSA-N 2 0 281.403 2.898 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211460 779924977 /nfs/dbraw/zinc/92/49/77/779924977.db2.gz UWQVQXSUPQUNIV-IRXDYDNUSA-N 2 0 282.472 2.935 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c[nH+]cc2cc[nH]c21 ZINC001168600727 780030131 /nfs/dbraw/zinc/03/01/31/780030131.db2.gz BIYKDABLXTZOAA-JSGCOSHPSA-N 2 0 258.369 2.848 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(C2([NH3+])CC2)cc1 ZINC001168601347 780031919 /nfs/dbraw/zinc/03/19/19/780031919.db2.gz MGKAATALGPZSQZ-HOTGVXAUSA-N 2 0 273.424 2.919 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000715543381 780142536 /nfs/dbraw/zinc/14/25/36/780142536.db2.gz MUYYHVKBYXDJIE-FPCVCCKLSA-N 2 0 268.445 2.652 20 0 CFADRP [NH3+]CCc1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240457085 780178524 /nfs/dbraw/zinc/17/85/24/780178524.db2.gz NEHKYLQDLQUTNU-UHFFFAOYSA-N 2 0 252.361 2.501 20 0 CFADRP [NH3+]C1(c2cccc(-c3ccc4c(c3)CC[NH2+]C4)c2)CC1 ZINC001240457760 780179242 /nfs/dbraw/zinc/17/92/42/780179242.db2.gz AKDULMGWSLUWEU-UHFFFAOYSA-N 2 0 264.372 2.947 20 0 CFADRP Nc1[nH+]ccn1-c1cccc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240457881 780179403 /nfs/dbraw/zinc/17/94/03/780179403.db2.gz DZLUBAFYJTYGEC-UHFFFAOYSA-N 2 0 290.370 2.767 20 0 CFADRP c1cc(C2=CC[NH2+]CC2)cc2c1C1(CC2)CC[NH2+]CC1 ZINC001240468184 780185669 /nfs/dbraw/zinc/18/56/69/780185669.db2.gz PBVXYONHGNCWHG-UHFFFAOYSA-N 2 0 268.404 2.631 20 0 CFADRP C[NH+]1CCC(c2cccc(C3=CC[NH2+]CC3)c2)CC1 ZINC001240470607 780187350 /nfs/dbraw/zinc/18/73/50/780187350.db2.gz NCBDTRKKAIISSO-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP COc1ccc(C2=CC[NH2+]CC2)cc1C[NH+]1CCCC1 ZINC001240470664 780187656 /nfs/dbraw/zinc/18/76/56/780187656.db2.gz OKQCVYQWJJQIRE-UHFFFAOYSA-N 2 0 272.392 2.668 20 0 CFADRP Cc1ccc2c(C[NH+]3CCC(C[NH3+])CC3)c[nH]c2c1 ZINC001205033376 780198397 /nfs/dbraw/zinc/19/83/97/780198397.db2.gz DFNNDAOKZIRHII-UHFFFAOYSA-N 2 0 257.381 2.647 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001205033769 780199970 /nfs/dbraw/zinc/19/99/70/780199970.db2.gz SFZFBKXKKPMQKO-UHFFFAOYSA-N 2 0 277.799 2.992 20 0 CFADRP CCCCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168653141 780200253 /nfs/dbraw/zinc/20/02/53/780200253.db2.gz JQSGBCQESQBSFL-MRXNPFEDSA-N 2 0 299.503 2.639 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC001205040143 780227953 /nfs/dbraw/zinc/22/79/53/780227953.db2.gz ALPOZRBGKVGZPU-UHFFFAOYSA-N 2 0 270.376 2.716 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240653717 780330426 /nfs/dbraw/zinc/33/04/26/780330426.db2.gz YVLJTWFIBAVNMG-AWEZNQCLSA-N 2 0 271.408 2.833 20 0 CFADRP C[NH+]1CCC(c2ccc(C3=CCC[NH2+]C3)cc2)CC1 ZINC001240679674 780353884 /nfs/dbraw/zinc/35/38/84/780353884.db2.gz HGBDUFBKGQCIMC-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C12CCC2 ZINC000453112762 780415360 /nfs/dbraw/zinc/41/53/60/780415360.db2.gz FPECHOPBKFAHJI-QLFBSQMISA-N 2 0 282.472 2.900 20 0 CFADRP C(c1cc(N2CCCCC2)cc[nH+]1)=C1CC[NH2+]CC1 ZINC001240873442 780491324 /nfs/dbraw/zinc/49/13/24/780491324.db2.gz FJQMJYLAQXMYGQ-UHFFFAOYSA-N 2 0 257.381 2.839 20 0 CFADRP Nc1ccccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001241075553 780627928 /nfs/dbraw/zinc/62/79/28/780627928.db2.gz MNBRGRYELUWKHJ-UHFFFAOYSA-N 2 0 281.403 2.859 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc21 ZINC001205054152 780648376 /nfs/dbraw/zinc/64/83/76/780648376.db2.gz XRYXTRWMWRJTSD-UHFFFAOYSA-N 3 0 299.462 2.859 20 0 CFADRP C[NH+]1CCCC[C@@H]1c1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241317344 780776963 /nfs/dbraw/zinc/77/69/63/780776963.db2.gz MIXCMZMSPJSJCI-QGZVFWFLSA-N 2 0 271.408 2.957 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2ncnc3c2C[NH2+]CC3)cc1 ZINC001241573092 780990744 /nfs/dbraw/zinc/99/07/44/780990744.db2.gz JFPRBBHSFYFOCL-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(C)(O)CC1 ZINC000703560189 781036464 /nfs/dbraw/zinc/03/64/64/781036464.db2.gz GVODUCKYQWIJJE-JWMHWRSXSA-N 2 0 268.445 2.580 20 0 CFADRP CCC([NH2+]CC1CC[NH+](C)CC1)(C1CC1)C1CC1 ZINC000704654999 781107318 /nfs/dbraw/zinc/10/73/18/781107318.db2.gz GYEKLHCKJCKLNO-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)([NH3+])c1ccccc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC001241777231 781124257 /nfs/dbraw/zinc/12/42/57/781124257.db2.gz MDZFEAGTUJVUJK-UHFFFAOYSA-N 2 0 284.407 2.668 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cncc(Cl)c1 ZINC000705578984 781143117 /nfs/dbraw/zinc/14/31/17/781143117.db2.gz SERPCLPCCIJOMK-UHFFFAOYSA-N 2 0 255.793 2.686 20 0 CFADRP CSC1CC([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000706817728 781203860 /nfs/dbraw/zinc/20/38/60/781203860.db2.gz HQVRATUXAAKMKI-IYXRBSQSSA-N 2 0 256.459 2.592 20 0 CFADRP CS[C@@H]1CCCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707332395 781242724 /nfs/dbraw/zinc/24/27/24/781242724.db2.gz XZBCHBQEVPBXIF-JALIKCBVSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000709158553 781290140 /nfs/dbraw/zinc/29/01/40/781290140.db2.gz RWXLXCLTILVLKR-CWRNSKLLSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)O1 ZINC000709678818 781298490 /nfs/dbraw/zinc/29/84/90/781298490.db2.gz DKJJHGIHJBYNOD-RBSFLKMASA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000709693937 781300231 /nfs/dbraw/zinc/30/02/31/781300231.db2.gz CAFAIWJKFLRUTA-DZGCQCFKSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC001242150352 781302366 /nfs/dbraw/zinc/30/23/66/781302366.db2.gz OHBXVEUUOWVGGH-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP C[N@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CCC([NH3+])CC1 ZINC000709731512 781303738 /nfs/dbraw/zinc/30/37/38/781303738.db2.gz AZIGMIVRGJAABX-IYXRBSQSSA-N 2 0 268.445 2.782 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccns1 ZINC000709774882 781312428 /nfs/dbraw/zinc/31/24/28/781312428.db2.gz IYTLABBQHKXYLZ-CHWSQXEVSA-N 2 0 267.442 2.586 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C(F)(F)F ZINC000709801487 781317708 /nfs/dbraw/zinc/31/77/08/781317708.db2.gz DBDHVSDOVPVMJF-VXGBXAGGSA-N 2 0 264.335 2.636 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)C12CCC2 ZINC000709827523 781318786 /nfs/dbraw/zinc/31/87/86/781318786.db2.gz JPGNMDUJIQPEOO-FJBKBRRZSA-N 2 0 256.393 2.792 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cnn(C(C)(C)C)c1 ZINC000710797979 781339635 /nfs/dbraw/zinc/33/96/35/781339635.db2.gz IUJFNRWBVVQNGO-UHFFFAOYSA-N 2 0 266.433 2.589 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCOc1ccccc1F ZINC000710821338 781340813 /nfs/dbraw/zinc/34/08/13/781340813.db2.gz ZVOLCYCFLUIGDI-UHFFFAOYSA-N 2 0 268.376 2.655 20 0 CFADRP c1cc2cc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)ccc2cn1 ZINC001242246404 781343659 /nfs/dbraw/zinc/34/36/59/781343659.db2.gz WALXJPRXQFIODG-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP FC[C@@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000711480580 781442508 /nfs/dbraw/zinc/44/25/08/781442508.db2.gz WUPRXFSNMLNYIA-NSHDSACASA-N 2 0 268.401 2.575 20 0 CFADRP C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000711831945 781474289 /nfs/dbraw/zinc/47/42/89/781474289.db2.gz FYPPZCUWTRGBBC-IAOVAPTHSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001168762916 781490220 /nfs/dbraw/zinc/49/02/20/781490220.db2.gz AUDPKJBZLBUNJF-AWEZNQCLSA-N 2 0 276.428 2.506 20 0 CFADRP C[NH+](C)/C=C/c1ccncc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242677672 781693683 /nfs/dbraw/zinc/69/36/83/781693683.db2.gz NLAXAONWBUUNOL-SOFGYWHQSA-N 2 0 265.360 2.884 20 0 CFADRP c1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc2c1CC[NH2+]C2 ZINC001242688708 781697041 /nfs/dbraw/zinc/69/70/41/781697041.db2.gz FKGWIAHVNXFKMH-MRXNPFEDSA-N 2 0 283.419 2.759 20 0 CFADRP C[NH+]1CCC(n2cc(-c3c[nH+]cc4cc[nH]c43)cn2)CC1 ZINC001242728438 781725988 /nfs/dbraw/zinc/72/59/88/781725988.db2.gz QNGUTCGHEMKPIC-UHFFFAOYSA-N 2 0 281.363 2.693 20 0 CFADRP C[NH2+]Cc1ccc(-c2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)cc1 ZINC001242989860 781902456 /nfs/dbraw/zinc/90/24/56/781902456.db2.gz BNVMLIIQZKBLCU-MRXNPFEDSA-N 2 0 296.418 2.638 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001242990891 781902997 /nfs/dbraw/zinc/90/29/97/781902997.db2.gz DSTRWCNCTPYDAV-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP C[NH2+]Cc1cccc(-c2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)c1 ZINC001242994137 781907989 /nfs/dbraw/zinc/90/79/89/781907989.db2.gz BMLDKQHCHKBWDM-MRXNPFEDSA-N 2 0 296.418 2.638 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccccc2CN2CC[C@@H]([NH3+])C2)cc1 ZINC001242994428 781908638 /nfs/dbraw/zinc/90/86/38/781908638.db2.gz XFDPSDSUENXGRQ-GOSISDBHSA-N 2 0 295.430 2.606 20 0 CFADRP C[NH2+]Cc1cccc(-c2cccc(Cn3cc[nH+]c3N)c2)c1 ZINC001242999662 781914337 /nfs/dbraw/zinc/91/43/37/781914337.db2.gz RBHHQEDTPZWDGM-UHFFFAOYSA-N 2 0 292.386 2.900 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347540864 282083543 /nfs/dbraw/zinc/08/35/43/282083543.db2.gz MMECXZWVSRYDSN-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272767712 282084145 /nfs/dbraw/zinc/08/41/45/282084145.db2.gz RTTZKNPXRVNZKW-OAHLLOKOSA-N 2 0 280.387 2.971 20 0 CFADRP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000594625230 349465517 /nfs/dbraw/zinc/46/55/17/349465517.db2.gz SWYSXJRVFGUAIV-JYJNAYRXSA-N 2 0 296.455 2.569 20 0 CFADRP CN(CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000127674283 187325320 /nfs/dbraw/zinc/32/53/20/187325320.db2.gz OVIJOKRXBPRSOD-SJLPKXTDSA-N 2 0 287.451 2.729 20 0 CFADRP CCC(CC)(C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)OC ZINC000423041719 282121588 /nfs/dbraw/zinc/12/15/88/282121588.db2.gz XVIJGGGPHUSOAX-HUUCEWRRSA-N 2 0 298.471 2.866 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000594975932 349536805 /nfs/dbraw/zinc/53/68/05/349536805.db2.gz XKRKPUHKIYRLKP-ZIAGYGMSSA-N 2 0 268.470 2.736 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000595008110 349546255 /nfs/dbraw/zinc/54/62/55/349546255.db2.gz AADUUYSGOAKYFI-KKUMJFAQSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)CSCCF)CC1 ZINC000595015896 349551323 /nfs/dbraw/zinc/55/13/23/349551323.db2.gz VKYAOZKZFFEIGX-GFCCVEGCSA-N 2 0 262.438 2.540 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000595053192 349566591 /nfs/dbraw/zinc/56/65/91/349566591.db2.gz JRSRVDHBZCJPEU-HSBZDZAISA-N 2 0 274.449 2.684 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125357460 187181018 /nfs/dbraw/zinc/18/10/18/187181018.db2.gz TWHJHSZTOVXLBA-AWEZNQCLSA-N 2 0 264.413 2.922 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC000595340562 349605560 /nfs/dbraw/zinc/60/55/60/349605560.db2.gz TXEWJZFAUBZTGV-SFHVURJKSA-N 2 0 293.499 2.667 20 0 CFADRP CC[NH+](CC)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000083433191 178447252 /nfs/dbraw/zinc/44/72/52/178447252.db2.gz XEGPDSUBTXIQJA-UHFFFAOYSA-N 2 0 259.397 2.989 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125521282 187188827 /nfs/dbraw/zinc/18/88/27/187188827.db2.gz ZUKIFFNJCUYLCS-NUEKZKHPSA-N 2 0 276.399 2.973 20 0 CFADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125518399 187189045 /nfs/dbraw/zinc/18/90/45/187189045.db2.gz NAOFYIXXXLSJMG-HNNXBMFYSA-N 2 0 296.480 2.975 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423347564 529424898 /nfs/dbraw/zinc/42/48/98/529424898.db2.gz QPRFFNHISSOPTB-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000070074731 346906536 /nfs/dbraw/zinc/90/65/36/346906536.db2.gz BYYKTJLIRRXDLQ-VXGBXAGGSA-N 2 0 252.427 2.870 20 0 CFADRP C[C@@H](c1ccccc1F)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183489 346907401 /nfs/dbraw/zinc/90/74/01/346907401.db2.gz KAVHTEUIRBFMRJ-LBPRGKRZSA-N 2 0 250.361 2.948 20 0 CFADRP [NH3+]CCC1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000070188323 346908034 /nfs/dbraw/zinc/90/80/34/346908034.db2.gz JJNYFHGUPXMKQM-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423245716 529605738 /nfs/dbraw/zinc/60/57/38/529605738.db2.gz JGCZWDVETGBQLZ-ZFWWWQNUSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422764578 529597947 /nfs/dbraw/zinc/59/79/47/529597947.db2.gz VGIWJQXTZJQMAL-HOTGVXAUSA-N 2 0 261.413 2.609 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)[C@H]1CCOC1 ZINC000423291853 529629548 /nfs/dbraw/zinc/62/95/48/529629548.db2.gz KEFLRXKGDULXKE-KCXAZCMYSA-N 2 0 262.397 2.611 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423147291 529615328 /nfs/dbraw/zinc/61/53/28/529615328.db2.gz CHBFCIFBECSLAZ-FXUDXRNXSA-N 2 0 268.445 2.558 20 0 CFADRP CC[C@H](NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422744677 529617184 /nfs/dbraw/zinc/61/71/84/529617184.db2.gz WLQLXDASSYPBKN-LUKYLMHMSA-N 2 0 281.488 2.617 20 0 CFADRP CCc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414787458 529638909 /nfs/dbraw/zinc/63/89/09/529638909.db2.gz LWMDPXAUQBZWDF-MSOLQXFVSA-N 2 0 288.435 2.577 20 0 CFADRP CC[C@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422798962 529659289 /nfs/dbraw/zinc/65/92/89/529659289.db2.gz UKWYOOXYDKGZEW-SQNIBIBYSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCN(C)C1CCCC1 ZINC000126729498 187259002 /nfs/dbraw/zinc/25/90/02/187259002.db2.gz IYJBYPAKUDDIQA-CQSZACIVSA-N 2 0 276.424 2.787 20 0 CFADRP CCc1ccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000422736739 529708933 /nfs/dbraw/zinc/70/89/33/529708933.db2.gz WLJRKDDUCZBPSG-RHSMWYFYSA-N 2 0 277.456 2.569 20 0 CFADRP CCc1ccc([C@@H]([NH2+]CCOCC[NH3+])C(C)C)cc1 ZINC000420382817 529712077 /nfs/dbraw/zinc/71/20/77/529712077.db2.gz YRTDEMDEBZVSQN-INIZCTEOSA-N 2 0 264.413 2.511 20 0 CFADRP COCCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289386900 136399772 /nfs/dbraw/zinc/39/97/72/136399772.db2.gz QMSYMZKDWGSQOX-UHFFFAOYSA-N 2 0 299.418 2.783 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000127791264 282276923 /nfs/dbraw/zinc/27/69/23/282276923.db2.gz DXLMXDARQJCXOY-BBWFWOEESA-N 2 0 281.488 2.569 20 0 CFADRP CCc1ccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422731208 529723833 /nfs/dbraw/zinc/72/38/33/529723833.db2.gz NCZPTKYBLPJTTH-YJBOKZPZSA-N 2 0 291.483 2.959 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000423253345 529728875 /nfs/dbraw/zinc/72/88/75/529728875.db2.gz VUEDDIJXHDZGIN-PWSUYJOCSA-N 2 0 267.442 2.664 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000423253343 529729783 /nfs/dbraw/zinc/72/97/83/529729783.db2.gz VUEDDIJXHDZGIN-JQWIXIFHSA-N 2 0 267.442 2.664 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)s1 ZINC000423266093 529729819 /nfs/dbraw/zinc/72/98/19/529729819.db2.gz CSWYNROCMJVQRV-UWVGGRQHSA-N 2 0 255.431 2.520 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000422906407 529735022 /nfs/dbraw/zinc/73/50/22/529735022.db2.gz VAUWKTKUAULBIJ-RRFJBIMHSA-N 2 0 293.480 2.758 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000295032779 199310651 /nfs/dbraw/zinc/31/06/51/199310651.db2.gz OBDNBXGHSOOZPI-HOTGVXAUSA-N 2 0 273.424 2.539 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420306204 529793639 /nfs/dbraw/zinc/79/36/39/529793639.db2.gz ABLVNNJVJSOGGQ-YJBOKZPZSA-N 2 0 287.451 2.889 20 0 CFADRP C[N@@H+]1CC[C@H](NCC2([NH3+])CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000423200563 529806144 /nfs/dbraw/zinc/80/61/44/529806144.db2.gz MOMMQMTZNUDUKY-JYJNAYRXSA-N 2 0 279.472 2.501 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@@H]2CCC[C@H]21 ZINC000423280468 529806490 /nfs/dbraw/zinc/80/64/90/529806490.db2.gz SQDZTXKRGNZTEP-OKZBNKHCSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128024045 187347190 /nfs/dbraw/zinc/34/71/90/187347190.db2.gz YZSAFHZQPPKQCL-IAGOWNOFSA-N 2 0 258.409 2.754 20 0 CFADRP CN(C)c1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347059433 282300607 /nfs/dbraw/zinc/30/06/07/282300607.db2.gz WZQJGJNSSWHYIS-QGZVFWFLSA-N 2 0 287.451 2.717 20 0 CFADRP O[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000128123263 187352873 /nfs/dbraw/zinc/35/28/73/187352873.db2.gz VSFGBIGEBXCKTL-XHSDSOJGSA-N 2 0 294.826 2.590 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000666172176 539383778 /nfs/dbraw/zinc/38/37/78/539383778.db2.gz PGAIPAYPFCSGIQ-YPMHNXCESA-N 2 0 267.442 2.834 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423204991 529971426 /nfs/dbraw/zinc/97/14/26/529971426.db2.gz VATDUXYNCPVQDV-JTQLQIEISA-N 2 0 260.303 2.966 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000423201639 529971538 /nfs/dbraw/zinc/97/15/38/529971538.db2.gz PIJSESMJGILRKH-ZDUSSCGKSA-N 2 0 297.240 2.944 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423205952 529971587 /nfs/dbraw/zinc/97/15/87/529971587.db2.gz WJNQMAUXMDJAEA-AWEZNQCLSA-N 2 0 252.789 2.917 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423205473 529971636 /nfs/dbraw/zinc/97/16/36/529971636.db2.gz VTZMGVIYMGORLR-HNNXBMFYSA-N 2 0 250.361 2.784 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423201265 529971666 /nfs/dbraw/zinc/97/16/66/529971666.db2.gz OGLQVGDQHGDWPX-VXGBXAGGSA-N 2 0 277.437 2.987 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414860167 529971749 /nfs/dbraw/zinc/97/17/49/529971749.db2.gz OMMPCOYVIMJWLW-GJZGRUSLSA-N 2 0 250.361 2.661 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414861646 529970979 /nfs/dbraw/zinc/97/09/79/529970979.db2.gz SOOVBHNDSAVTMJ-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423198344 529971320 /nfs/dbraw/zinc/97/13/20/529971320.db2.gz FIMDDSSFOZCBNS-LSDHHAIUSA-N 2 0 261.413 2.615 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000414839719 529985212 /nfs/dbraw/zinc/98/52/12/529985212.db2.gz MMEXZRAQMXRFDJ-CYBMUJFWSA-N 2 0 272.392 2.794 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414841994 529985236 /nfs/dbraw/zinc/98/52/36/529985236.db2.gz OOQBCCUNTUVFIM-CQSZACIVSA-N 2 0 269.392 2.694 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414846705 529985977 /nfs/dbraw/zinc/98/59/77/529985977.db2.gz UXQRIPAFIPLDIS-CHWSQXEVSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000423282428 529986297 /nfs/dbraw/zinc/98/62/97/529986297.db2.gz WNSVVTAFPKYVSS-CZUORRHYSA-N 2 0 282.403 2.739 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414838720 529998704 /nfs/dbraw/zinc/99/87/04/529998704.db2.gz LMRDAFNQEFZSAL-NWDGAFQWSA-N 2 0 299.256 2.998 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414847862 529998746 /nfs/dbraw/zinc/99/87/46/529998746.db2.gz WHABJWRJXADLHJ-JTQLQIEISA-N 2 0 263.410 2.550 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000423255584 529999468 /nfs/dbraw/zinc/99/94/68/529999468.db2.gz AIASCPCKVYUVCK-JQFCIGGWSA-N 2 0 294.414 2.881 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414841513 529999540 /nfs/dbraw/zinc/99/95/40/529999540.db2.gz NJASUUDPYSNVMK-BHYGNILZSA-N 2 0 260.425 2.843 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)CCOC)CC1 ZINC000088520741 539406497 /nfs/dbraw/zinc/40/64/97/539406497.db2.gz LCOATKDOTBNCGH-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414497325 530042607 /nfs/dbraw/zinc/04/26/07/530042607.db2.gz SOPMVIPIXRTGNR-MNOVXSKESA-N 2 0 268.405 2.812 20 0 CFADRP CCC1(CC)C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCS1 ZINC000414757861 282374178 /nfs/dbraw/zinc/37/41/78/282374178.db2.gz LWXZMDDFVDPNKM-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]([NH2+]CCCOc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000121704682 539437794 /nfs/dbraw/zinc/43/77/94/539437794.db2.gz AOIJGQWYJMNJAL-CQSZACIVSA-N 2 0 294.414 2.915 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444603448 282388479 /nfs/dbraw/zinc/38/84/79/282388479.db2.gz TYMDGXJELQTTNK-SFHVURJKSA-N 2 0 293.499 2.526 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CCCC[NH+](C)C)C[C@@H]1OC ZINC000344071697 282390276 /nfs/dbraw/zinc/39/02/76/282390276.db2.gz KKMYORRKZPJODH-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)ccc2n1 ZINC000097862707 232182602 /nfs/dbraw/zinc/18/26/02/232182602.db2.gz IVAQEAQYRZJOID-CJNGLKHVSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)ccc2n1 ZINC000097862706 232181876 /nfs/dbraw/zinc/18/18/76/232181876.db2.gz KMXRHCBGPHOCRM-DZGCQCFKSA-N 2 0 269.392 2.712 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089550886 539470312 /nfs/dbraw/zinc/47/03/12/539470312.db2.gz VFVZUXWMRBLAAV-IAGOWNOFSA-N 2 0 288.435 2.844 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CC2 ZINC000205099039 539469897 /nfs/dbraw/zinc/46/98/97/539469897.db2.gz IXXRRISILBJRAL-GOSISDBHSA-N 2 0 296.414 2.801 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000070090098 539485088 /nfs/dbraw/zinc/48/50/88/539485088.db2.gz RXMULBFQRAVWJG-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000070174801 539486549 /nfs/dbraw/zinc/48/65/49/539486549.db2.gz RXLCGUMCPBBCJZ-STQMWFEESA-N 2 0 282.428 2.977 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123993704 539513321 /nfs/dbraw/zinc/51/33/21/539513321.db2.gz FPDKQNQAXJXGGU-KGLIPLIRSA-N 2 0 258.409 2.953 20 0 CFADRP CC(C)[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000124019410 539516388 /nfs/dbraw/zinc/51/63/88/539516388.db2.gz BODPJZSLCPTPLQ-OAHLLOKOSA-N 2 0 258.409 2.810 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1OC ZINC000423543559 282457424 /nfs/dbraw/zinc/45/74/24/282457424.db2.gz NDCDJZPGRSKRJY-YIDVYQOGSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1F ZINC000050545637 346495835 /nfs/dbraw/zinc/49/58/35/346495835.db2.gz LRDAEZBDEODBKR-OAHLLOKOSA-N 2 0 264.388 2.954 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(C(=O)OC)cc1 ZINC000596654929 349969252 /nfs/dbraw/zinc/96/92/52/349969252.db2.gz RNAKFYORODGWEE-CVEARBPZSA-N 2 0 292.423 2.887 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000056522763 346610670 /nfs/dbraw/zinc/61/06/70/346610670.db2.gz QPMHPOHBKSNVLD-UHFFFAOYSA-N 2 0 287.407 2.992 20 0 CFADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1F ZINC000056524091 346611089 /nfs/dbraw/zinc/61/10/89/346611089.db2.gz BNNHRNJVBDTTMR-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)o1 ZINC000400962801 232678141 /nfs/dbraw/zinc/67/81/41/232678141.db2.gz CDYRBSXJDRKZRP-CYUUQNCZSA-N 2 0 262.397 2.935 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675761 347482577 /nfs/dbraw/zinc/48/25/77/347482577.db2.gz MYJXYCNYVGATAM-OAGGEKHMSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@H](C)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000088504340 347504845 /nfs/dbraw/zinc/50/48/45/347504845.db2.gz NITPXSSEVZZRFG-AWEZNQCLSA-N 2 0 268.445 2.608 20 0 CFADRP OC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000090800481 347557222 /nfs/dbraw/zinc/55/72/22/347557222.db2.gz OEOWCXAQXRPLOM-UHFFFAOYSA-N 2 0 280.456 2.677 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000090806122 347557349 /nfs/dbraw/zinc/55/73/49/347557349.db2.gz YZBKODXEQJEKAE-CJNGLKHVSA-N 2 0 296.842 2.786 20 0 CFADRP CC(C)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000090937461 347562612 /nfs/dbraw/zinc/56/26/12/347562612.db2.gz XTLJYVNHWSRYKW-QGZVFWFLSA-N 2 0 291.439 2.546 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091287735 347581523 /nfs/dbraw/zinc/58/15/23/347581523.db2.gz BTKHAOZEOIPMLE-GDBMZVCRSA-N 2 0 261.413 2.710 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000092471537 347627871 /nfs/dbraw/zinc/62/78/71/347627871.db2.gz MSDRAVUEVNNHPC-INIZCTEOSA-N 2 0 287.451 2.670 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000094951040 347697608 /nfs/dbraw/zinc/69/76/08/347697608.db2.gz DRXMZJZJFGEWGO-CABCVRRESA-N 2 0 250.361 2.536 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093210237 347665268 /nfs/dbraw/zinc/66/52/68/347665268.db2.gz LJHNLBVAVXVAKE-QZTJIDSGSA-N 3 0 289.467 2.888 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000090586530 539591551 /nfs/dbraw/zinc/59/15/51/539591551.db2.gz FMFRGPWCHHVJTL-DLBZAZTESA-N 3 0 295.515 2.674 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(C)CC1 ZINC000150994352 347958413 /nfs/dbraw/zinc/95/84/13/347958413.db2.gz XIDNCFMKTHLKBH-NRXISQOPSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccsc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000165630435 348040106 /nfs/dbraw/zinc/04/01/06/348040106.db2.gz BAEQGNIADILXOT-UHFFFAOYSA-N 2 0 250.411 2.632 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CCCOCC1)C1CCCCC1 ZINC000086873921 179364427 /nfs/dbraw/zinc/36/44/27/179364427.db2.gz QTGBBIRSOIFUAI-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000223729408 348175194 /nfs/dbraw/zinc/17/51/94/348175194.db2.gz HMXBJXKDUJJPCL-NWANDNLSSA-N 2 0 270.486 2.981 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000228619307 348196365 /nfs/dbraw/zinc/19/63/65/348196365.db2.gz FPGPSKRKVGQDIQ-KRWDZBQOSA-N 2 0 292.398 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000229664219 348202854 /nfs/dbraw/zinc/20/28/54/348202854.db2.gz DOXRCWHNRHCNFA-IUODEOHRSA-N 2 0 257.381 2.740 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000250645201 348288504 /nfs/dbraw/zinc/28/85/04/348288504.db2.gz JRFNRGYWOPVLBP-KURKYZTESA-N 2 0 287.451 2.511 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000252683832 348297500 /nfs/dbraw/zinc/29/75/00/348297500.db2.gz FGVDMZTWNDKVAP-UKRRQHHQSA-N 2 0 262.397 2.787 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCOC2CCCC2)CC1 ZINC000125220424 539630874 /nfs/dbraw/zinc/63/08/74/539630874.db2.gz WBCFMGKAVIQLJS-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP c1ccc(SCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000125273821 539634204 /nfs/dbraw/zinc/63/42/04/539634204.db2.gz VZXMLRRNADLCDJ-UHFFFAOYSA-N 2 0 299.443 2.996 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(F)cc2)C1 ZINC000345369454 348460642 /nfs/dbraw/zinc/46/06/42/348460642.db2.gz MPPYFHCRBUWBDD-KBPBESRZSA-N 2 0 264.388 2.861 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000383653969 348531661 /nfs/dbraw/zinc/53/16/61/348531661.db2.gz JXPHQJMFKYPOFA-OUAUKWLOSA-N 2 0 252.324 2.825 20 0 CFADRP Cc1[nH+]ccc(N[C@@H](C)C2CC[NH+](C)CC2)c1Cl ZINC000396448968 348557946 /nfs/dbraw/zinc/55/79/46/348557946.db2.gz FGDQEJPBSOZOEL-JTQLQIEISA-N 2 0 267.804 2.608 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000400050022 348570606 /nfs/dbraw/zinc/57/06/06/348570606.db2.gz BKAGAESGMHNFDJ-WCMAUXFHSA-N 2 0 250.430 2.743 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000584594370 348682918 /nfs/dbraw/zinc/68/29/18/348682918.db2.gz XTWNWLDDDUODJW-STQMWFEESA-N 2 0 280.412 2.699 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@@H]1CCc2c(cccc2OC)C1 ZINC000584614946 348690730 /nfs/dbraw/zinc/69/07/30/348690730.db2.gz UVIXJNQCHXTVJO-OAHLLOKOSA-N 2 0 276.424 2.613 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000230987482 539663470 /nfs/dbraw/zinc/66/34/70/539663470.db2.gz PRFZQRCNNAGIAL-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000397047242 539671389 /nfs/dbraw/zinc/67/13/89/539671389.db2.gz QBNFPYXARCWPLG-QWRGUYRKSA-N 2 0 266.351 2.895 20 0 CFADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397663073 539702472 /nfs/dbraw/zinc/70/24/72/539702472.db2.gz HJPQHJSOSCZJGN-HZPDHXFCSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786531 348948742 /nfs/dbraw/zinc/94/87/42/348948742.db2.gz DJIAWAYKKDAPAH-UHFFFAOYSA-N 2 0 279.428 2.844 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000591578363 349031534 /nfs/dbraw/zinc/03/15/34/349031534.db2.gz WTZCUDWGHNMKGZ-ARFHVFGLSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(O)c1 ZINC000414181780 233188608 /nfs/dbraw/zinc/18/86/08/233188608.db2.gz MWNLKVWELQHYBB-UONOGXRCSA-N 2 0 262.397 2.775 20 0 CFADRP CC[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592427558 349118670 /nfs/dbraw/zinc/11/86/70/349118670.db2.gz CCVIKJWTQHWKCY-HOTGVXAUSA-N 2 0 278.465 2.979 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414189198 233191485 /nfs/dbraw/zinc/19/14/85/233191485.db2.gz RDHIZSORUIWJFT-GOEBONIOSA-N 2 0 273.380 2.629 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414189206 233191777 /nfs/dbraw/zinc/19/17/77/233191777.db2.gz RDHIZSORUIWJFT-ZBFHGGJFSA-N 2 0 273.380 2.629 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1O ZINC000414197449 233194000 /nfs/dbraw/zinc/19/40/00/233194000.db2.gz VTRMJKOPCQFYTQ-KGLIPLIRSA-N 2 0 292.423 2.783 20 0 CFADRP Cc1occc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000414394783 233246298 /nfs/dbraw/zinc/24/62/98/233246298.db2.gz PVDFGZPJSFYTDV-KBPBESRZSA-N 2 0 280.412 2.567 20 0 CFADRP CC1(C)CCC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668739652 539743851 /nfs/dbraw/zinc/74/38/51/539743851.db2.gz OCSJDMIDXCDDCB-NVXWUHKLSA-N 2 0 294.483 2.734 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)Cc1cnc(C)n1C ZINC000597027444 350017731 /nfs/dbraw/zinc/01/77/31/350017731.db2.gz PVGRBFXFCSYKRF-LLVKDONJSA-N 2 0 255.431 2.692 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000104437613 186002624 /nfs/dbraw/zinc/00/26/24/186002624.db2.gz RUJNBAXMBIWQNQ-SNVBAGLBSA-N 2 0 254.324 2.524 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000090721780 180032103 /nfs/dbraw/zinc/03/21/03/180032103.db2.gz VFOMZRVKRMIWDC-BBRMVZONSA-N 2 0 269.392 2.807 20 0 CFADRP Cc1csc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000080275413 539757272 /nfs/dbraw/zinc/75/72/72/539757272.db2.gz CATONLNSUBIDIO-NWDGAFQWSA-N 2 0 267.442 2.832 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H](C)c1csnn1 ZINC000414547923 233288420 /nfs/dbraw/zinc/28/84/20/233288420.db2.gz ITYFJWBKXLGVRJ-NSHDSACASA-N 2 0 262.382 2.525 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@H](C)c1csnn1 ZINC000414547919 233288640 /nfs/dbraw/zinc/28/86/40/233288640.db2.gz ITYFJWBKXLGVRJ-LLVKDONJSA-N 2 0 262.382 2.525 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414672969 233321372 /nfs/dbraw/zinc/32/13/72/233321372.db2.gz PWLHJPFQAKZJQK-HOCLYGCPSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000091333429 180136563 /nfs/dbraw/zinc/13/65/63/180136563.db2.gz ILXGJEFKIFZUHT-FUHWJXTLSA-N 2 0 289.467 2.609 20 0 CFADRP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000399145225 539767950 /nfs/dbraw/zinc/76/79/50/539767950.db2.gz VTLPMRDPHFFGJJ-CJNGLKHVSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC000414676032 233323032 /nfs/dbraw/zinc/32/30/32/233323032.db2.gz MSTNIGJCCVHZAW-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000414682732 233325445 /nfs/dbraw/zinc/32/54/45/233325445.db2.gz RVDDYMHEFKBMHS-NWDGAFQWSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](Nc3ccccc3)C2)CC[NH2+]1 ZINC000414688054 233326064 /nfs/dbraw/zinc/32/60/64/233326064.db2.gz CVCTVDNYMSRLLL-VYDXJSESSA-N 2 0 273.424 2.561 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)sc1C ZINC000414716990 233337355 /nfs/dbraw/zinc/33/73/55/233337355.db2.gz YQHKCCZTSWAWKH-ZWNOBZJWSA-N 2 0 281.469 2.973 20 0 CFADRP [NH3+]CCC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000414735131 233340277 /nfs/dbraw/zinc/34/02/77/233340277.db2.gz LXIGTJIPQVRNIH-UHFFFAOYSA-N 2 0 268.788 2.532 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1C ZINC000414794837 233355036 /nfs/dbraw/zinc/35/50/36/233355036.db2.gz MGOXJJHVTMRPGI-UKRRQHHQSA-N 2 0 291.439 2.593 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000414802340 233357205 /nfs/dbraw/zinc/35/72/05/233357205.db2.gz MSBJEHXKVJMRHB-WBVHZDCISA-N 2 0 276.424 2.953 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414773856 233347535 /nfs/dbraw/zinc/34/75/35/233347535.db2.gz AAJQMDXQHOYANS-INIZCTEOSA-N 2 0 281.488 2.620 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414776316 233348194 /nfs/dbraw/zinc/34/81/94/233348194.db2.gz GZYFWYLSTXFKLK-JKSUJKDBSA-N 2 0 274.408 2.517 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081626427 539777056 /nfs/dbraw/zinc/77/70/56/539777056.db2.gz NYLZZAWLCHIOHR-IRXDYDNUSA-N 2 0 293.499 2.571 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000414780196 233349731 /nfs/dbraw/zinc/34/97/31/233349731.db2.gz LBECHDHAHVHESQ-LBPRGKRZSA-N 2 0 264.438 2.681 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]([NH3+])C(C)C)cc1F ZINC000414786398 233350765 /nfs/dbraw/zinc/35/07/65/233350765.db2.gz BAJRXZUHDIUHMB-IUODEOHRSA-N 2 0 282.403 2.586 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414787115 233351123 /nfs/dbraw/zinc/35/11/23/233351123.db2.gz YVMFKCAXFLXACD-DOTOQJQBSA-N 2 0 258.409 2.739 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414791626 233351833 /nfs/dbraw/zinc/35/18/33/233351833.db2.gz ICHQQMBCQVUKTE-FZMZJTMJSA-N 2 0 297.240 2.975 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000414791132 233352434 /nfs/dbraw/zinc/35/24/34/233352434.db2.gz AZCTVJMJKHCQMV-CABCVRRESA-N 2 0 264.438 2.637 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414792680 233353505 /nfs/dbraw/zinc/35/35/05/233353505.db2.gz CQTQHSBMPUZPFH-SCZZXKLOSA-N 2 0 293.358 2.769 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1F ZINC000414807906 233360338 /nfs/dbraw/zinc/36/03/38/233360338.db2.gz RRRCLXVOSMDHRY-ZFWWWQNUSA-N 2 0 250.361 2.741 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414809172 233360948 /nfs/dbraw/zinc/36/09/48/233360948.db2.gz GJELDWWOELJZIH-BBRMVZONSA-N 2 0 264.413 2.857 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414818086 233364306 /nfs/dbraw/zinc/36/43/06/233364306.db2.gz CRTQMUUXJLBPKA-CQDKDKBSSA-N 2 0 250.361 2.789 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414820143 233365445 /nfs/dbraw/zinc/36/54/45/233365445.db2.gz IUFAKPYAWBNUPB-ZOBUZTSGSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]C1 ZINC000414821215 233366316 /nfs/dbraw/zinc/36/63/16/233366316.db2.gz KZFOZSUWBRCCME-YOEHRIQHSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824122 233367168 /nfs/dbraw/zinc/36/71/68/233367168.db2.gz AFTUAIKLHWIFQD-KGLIPLIRSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[C@H](C)[NH3+] ZINC000414828361 233369557 /nfs/dbraw/zinc/36/95/57/233369557.db2.gz ZLMRAXYJJFUMPN-WDEREUQCSA-N 2 0 285.229 2.707 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000414828777 233369620 /nfs/dbraw/zinc/36/96/20/233369620.db2.gz MTIVEGNZLXPWQL-INIZCTEOSA-N 2 0 281.403 2.838 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000105480526 186058632 /nfs/dbraw/zinc/05/86/32/186058632.db2.gz BHMIRVALRCTQIT-BBRMVZONSA-N 2 0 269.392 2.665 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000105480445 186059140 /nfs/dbraw/zinc/05/91/40/186059140.db2.gz YCHKQOBBERRPDQ-RISCZKNCSA-N 2 0 284.350 2.718 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000105480794 186060036 /nfs/dbraw/zinc/06/00/36/186060036.db2.gz IHYKCYRWNDQQOC-DZGCQCFKSA-N 2 0 292.423 2.524 20 0 CFADRP c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414841682 233374826 /nfs/dbraw/zinc/37/48/26/233374826.db2.gz YMMNKINFPZYYRW-PVAVHDDUSA-N 2 0 258.409 2.912 20 0 CFADRP Cc1cc(Cl)cc(C)c1CN[C@H]1CCC[NH2+]C1 ZINC000414870443 233384698 /nfs/dbraw/zinc/38/46/98/233384698.db2.gz SQDWRYDHPSVTFL-ZDUSSCGKSA-N 2 0 252.789 2.798 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1Oc1cccnc1 ZINC000414876330 233387101 /nfs/dbraw/zinc/38/71/01/233387101.db2.gz LDZVDFGZGSBCBM-ZDUSSCGKSA-N 2 0 285.391 2.867 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414882095 233388341 /nfs/dbraw/zinc/38/83/41/233388341.db2.gz BNMVKLRBESWZQC-HZMBPMFUSA-N 2 0 286.341 2.963 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C1CC1 ZINC000414894851 233391384 /nfs/dbraw/zinc/39/13/84/233391384.db2.gz UQUOSIWNIOCIFY-HYVNUMGLSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895670 233391607 /nfs/dbraw/zinc/39/16/07/233391607.db2.gz YNITXJAQEMFHMM-IINYFYTJSA-N 2 0 252.789 2.598 20 0 CFADRP c1ccc(-c2cccc(C[NH2+]CC[C@H]3CCC[NH2+]3)c2)nc1 ZINC000414904888 233394444 /nfs/dbraw/zinc/39/44/44/233394444.db2.gz MMEKBFDUSAWRSV-QGZVFWFLSA-N 2 0 281.403 2.980 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908995 233395724 /nfs/dbraw/zinc/39/57/24/233395724.db2.gz SIDQZLBGGISQTL-CYBMUJFWSA-N 2 0 258.365 2.973 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414908466 233395956 /nfs/dbraw/zinc/39/59/56/233395956.db2.gz BKXIXJPBXJYAEV-HOTGVXAUSA-N 2 0 284.407 2.540 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414909586 233396324 /nfs/dbraw/zinc/39/63/24/233396324.db2.gz SWMHTBQWDCLJOR-KBAYOESNSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414918893 233399249 /nfs/dbraw/zinc/39/92/49/233399249.db2.gz VLLWLYVRCKIKRK-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000414852447 233378227 /nfs/dbraw/zinc/37/82/27/233378227.db2.gz JZKDNPXAMCGNOY-OCCSQVGLSA-N 2 0 250.361 2.612 20 0 CFADRP FC(F)COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414851613 233378462 /nfs/dbraw/zinc/37/84/62/233378462.db2.gz OLQTZKBOZWXOHC-ZDUSSCGKSA-N 2 0 298.377 2.810 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018466 233438528 /nfs/dbraw/zinc/43/85/28/233438528.db2.gz CDOKBBPGOSDJEV-SHTZXODSSA-N 2 0 278.444 2.627 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000598974436 350352444 /nfs/dbraw/zinc/35/24/44/350352444.db2.gz LXYWIMSNBUJEDJ-GFCCVEGCSA-N 2 0 256.459 2.735 20 0 CFADRP CSCCCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598975424 350352577 /nfs/dbraw/zinc/35/25/77/350352577.db2.gz IAQXVXADIIDJAW-CYBMUJFWSA-N 2 0 258.475 2.982 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000598993362 350356717 /nfs/dbraw/zinc/35/67/17/350356717.db2.gz KYIVBHMXIQPMCF-BZUAXINKSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000414986845 233426589 /nfs/dbraw/zinc/42/65/89/233426589.db2.gz CPRORYSJHORASO-TZMCWYRMSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000414991790 233428290 /nfs/dbraw/zinc/42/82/90/233428290.db2.gz BDPJHSTVWYLMSI-WBVHZDCISA-N 2 0 288.435 2.661 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2nc(C)cs2)CC[NH+](C)CC1 ZINC000599046404 350364553 /nfs/dbraw/zinc/36/45/53/350364553.db2.gz IUGMZDUCRJXVEB-GFCCVEGCSA-N 2 0 299.509 2.930 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000415041556 233445423 /nfs/dbraw/zinc/44/54/23/233445423.db2.gz PYZRSWXOCMNVRU-TVQRCGJNSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000415051340 233447682 /nfs/dbraw/zinc/44/76/82/233447682.db2.gz ZFZDUBJDANQIFZ-CABCVRRESA-N 2 0 264.438 2.637 20 0 CFADRP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000600143300 350519469 /nfs/dbraw/zinc/51/94/69/350519469.db2.gz ANUUMLXLKJDSTC-AWEZNQCLSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)(C)C ZINC000668785429 539803355 /nfs/dbraw/zinc/80/33/55/539803355.db2.gz QBTGGIJIFMDHMQ-HUUCEWRRSA-N 2 0 270.461 2.711 20 0 CFADRP C[NH+]1CCC(NCc2cc(Cl)ccc2F)CC1 ZINC000083418097 260350094 /nfs/dbraw/zinc/35/00/94/260350094.db2.gz BTODMAGBGCWRDS-UHFFFAOYSA-N 2 0 256.752 2.663 20 0 CFADRP C[C@@H]1CC[C@@H](NCCSCc2ccccc2)C[NH2+]1 ZINC000600776052 350609035 /nfs/dbraw/zinc/60/90/35/350609035.db2.gz OFQXRJMHTLYSKQ-UKRRQHHQSA-N 2 0 264.438 2.650 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000110649706 186309811 /nfs/dbraw/zinc/30/98/11/186309811.db2.gz FUKUPZZKHRYYBN-ZDUSSCGKSA-N 2 0 285.391 2.901 20 0 CFADRP COc1ccc(Cl)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110649959 186310030 /nfs/dbraw/zinc/31/00/30/186310030.db2.gz GWSXVTZLORXKSV-LLVKDONJSA-N 2 0 282.815 2.908 20 0 CFADRP CCOC(=O)C1(C)CC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000601262548 350711517 /nfs/dbraw/zinc/71/15/17/350711517.db2.gz KMFHZNUFBLXVNB-UHFFFAOYSA-N 2 0 296.455 2.617 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@H]1CCCOC1)Cc1ccccc1 ZINC000111317682 186396170 /nfs/dbraw/zinc/39/61/70/186396170.db2.gz OBGHSLKDARDFDW-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP COC(=O)c1csc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000602685682 350978240 /nfs/dbraw/zinc/97/82/40/350978240.db2.gz RBFANIHAVPCSRR-UHFFFAOYSA-N 2 0 298.452 2.745 20 0 CFADRP CCCc1cccc(C[NH+]2CCN(c3nccn3C)CC2)c1 ZINC000668793018 539810011 /nfs/dbraw/zinc/81/00/11/539810011.db2.gz QCVHTLPESQNUDJ-UHFFFAOYSA-N 2 0 298.434 2.695 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878018 351056009 /nfs/dbraw/zinc/05/60/09/351056009.db2.gz OITWTCVZVOMTTR-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC(C)(C)C)(N2CCCCC2)CC1 ZINC000608065011 351394174 /nfs/dbraw/zinc/39/41/74/351394174.db2.gz ZKMZQMAJSWTABN-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CN(C)c1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000608492638 351441642 /nfs/dbraw/zinc/44/16/42/351441642.db2.gz ANPJNKDFUKPFPD-UHFFFAOYSA-N 2 0 275.440 2.526 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000611367414 351675101 /nfs/dbraw/zinc/67/51/01/351675101.db2.gz FIHCAIATFRPGOL-ZIAGYGMSSA-N 2 0 284.444 2.571 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1(C)CC1 ZINC000122379123 187029596 /nfs/dbraw/zinc/02/95/96/187029596.db2.gz DQAZKXGTTJVOCY-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@@H](C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000122641928 187043208 /nfs/dbraw/zinc/04/32/08/187043208.db2.gz CZQLTKQSTRLKAD-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000122865938 187056695 /nfs/dbraw/zinc/05/66/95/187056695.db2.gz VYQYIPBVHWODDS-OCCSQVGLSA-N 2 0 296.842 2.963 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247682 282984818 /nfs/dbraw/zinc/98/48/18/282984818.db2.gz LOEVONSZOJSQLB-QMTHXVAHSA-N 2 0 266.335 2.541 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000271481908 191164295 /nfs/dbraw/zinc/16/42/95/191164295.db2.gz KHSUQEYRBVGLBA-SSGTUYFUSA-N 2 0 272.436 2.936 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000271481913 191164895 /nfs/dbraw/zinc/16/48/95/191164895.db2.gz KHSUQEYRBVGLBA-XQZMSQOBSA-N 2 0 272.436 2.936 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000292073958 198153547 /nfs/dbraw/zinc/15/35/47/198153547.db2.gz DXCKSPVLDNNLQB-SFHVURJKSA-N 2 0 270.420 2.703 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340477392 282835972 /nfs/dbraw/zinc/83/59/72/282835972.db2.gz VVYOTMFOTNQXQB-MRXNPFEDSA-N 2 0 290.455 2.653 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000094182857 539926254 /nfs/dbraw/zinc/92/62/54/539926254.db2.gz DHZAAEXQNGHMIT-HNNXBMFYSA-N 2 0 260.425 2.857 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000566088478 290346321 /nfs/dbraw/zinc/34/63/21/290346321.db2.gz TVDMHYDQLKGCTM-KRWDZBQOSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902237 295850222 /nfs/dbraw/zinc/85/02/22/295850222.db2.gz HGBVGIBBRLGPME-WDEREUQCSA-N 2 0 252.324 2.839 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C1(C)C ZINC000422815259 282852229 /nfs/dbraw/zinc/85/22/29/282852229.db2.gz BCSWASDOGMWHBK-NEXFUWMNSA-N 2 0 268.445 2.830 20 0 CFADRP Cc1ccc(CCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292216032 198205923 /nfs/dbraw/zinc/20/59/23/198205923.db2.gz UPEPUVPSEPNVMS-SFHVURJKSA-N 2 0 272.436 2.955 20 0 CFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000152488377 188023184 /nfs/dbraw/zinc/02/31/84/188023184.db2.gz LQZXYKPGJNREHZ-LSDHHAIUSA-N 2 0 292.423 2.536 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000153771524 188102770 /nfs/dbraw/zinc/10/27/70/188102770.db2.gz CPZHRLIOYBCBRS-KRWDZBQOSA-N 2 0 276.424 2.540 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@@H]1OCCc2sccc21 ZINC000292411475 198278315 /nfs/dbraw/zinc/27/83/15/198278315.db2.gz MDNGKXDLUUAQQY-XEZPLFJOSA-N 2 0 294.464 2.824 20 0 CFADRP Cc1cscc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000094877674 539976290 /nfs/dbraw/zinc/97/62/90/539976290.db2.gz FRDAKKWXJZUTDA-LBPRGKRZSA-N 2 0 252.427 2.876 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000155127288 188184514 /nfs/dbraw/zinc/18/45/14/188184514.db2.gz FFIKOBFNFOWHOJ-ZIAGYGMSSA-N 2 0 295.496 2.597 20 0 CFADRP C[C@H]1CN(C)c2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359209592 539990657 /nfs/dbraw/zinc/99/06/57/539990657.db2.gz KXDJSEIFWXWDJR-HNNXBMFYSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000156202059 188248399 /nfs/dbraw/zinc/24/83/99/188248399.db2.gz ROSYTVJZQWVKPQ-XYJFISCASA-N 2 0 290.451 2.912 20 0 CFADRP Cc1cccc(NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000156921204 188287460 /nfs/dbraw/zinc/28/74/60/188287460.db2.gz QFEAFLUFGMNSSW-QGZVFWFLSA-N 2 0 297.402 2.703 20 0 CFADRP CCCc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000621328793 353324412 /nfs/dbraw/zinc/32/44/12/353324412.db2.gz DDPWVPPEHVGCDA-UHFFFAOYSA-N 2 0 296.480 2.903 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000621379149 353345865 /nfs/dbraw/zinc/34/58/65/353345865.db2.gz NJEQEJDWUIPVEV-CQSZACIVSA-N 2 0 298.377 2.762 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000621379148 353345949 /nfs/dbraw/zinc/34/59/49/353345949.db2.gz NJEQEJDWUIPVEV-AWEZNQCLSA-N 2 0 298.377 2.762 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000621775503 353422650 /nfs/dbraw/zinc/42/26/50/353422650.db2.gz QLZWUFVPLDNOSI-CABCVRRESA-N 2 0 293.842 2.947 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC1(C)CCC1 ZINC000434774000 540001862 /nfs/dbraw/zinc/00/18/62/540001862.db2.gz HSDQYAMSRQLAQH-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000292684017 198375797 /nfs/dbraw/zinc/37/57/97/198375797.db2.gz AWHROZUXIMESDN-WMLDXEAASA-N 2 0 276.399 2.957 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000158606493 188385738 /nfs/dbraw/zinc/38/57/38/188385738.db2.gz KOWPHAYUVQTPHX-OAHLLOKOSA-N 2 0 286.423 2.513 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000622044046 353468544 /nfs/dbraw/zinc/46/85/44/353468544.db2.gz SIVPKELLNAPYJA-LOWDOPEQSA-N 2 0 258.356 2.542 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)c2ccccc21 ZINC000622044054 353468654 /nfs/dbraw/zinc/46/86/54/353468654.db2.gz SSJXCPSHEWFVAG-BIMULSAOSA-N 2 0 252.308 2.766 20 0 CFADRP COc1cc(C[NH2+]CCc2cncn2C)cc2ccccc21 ZINC000623085797 353585000 /nfs/dbraw/zinc/58/50/00/353585000.db2.gz FXCGWJCZRBFXGI-UHFFFAOYSA-N 2 0 295.386 2.914 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCc3cncn3C)[nH]c2c1 ZINC000623085714 353585133 /nfs/dbraw/zinc/58/51/33/353585133.db2.gz AODIWZXCZLNUOD-UHFFFAOYSA-N 2 0 268.364 2.542 20 0 CFADRP CN(CCC[NH2+]Cc1ccccc1C1CC1)CC[NH+](C)C ZINC000623087916 353585584 /nfs/dbraw/zinc/58/55/84/353585584.db2.gz ONWVQAUGYRPDBO-UHFFFAOYSA-N 2 0 289.467 2.537 20 0 CFADRP CN(CCC[NH2+]Cc1ccc(C2CC2)cc1)CC[NH+](C)C ZINC000623087462 353585669 /nfs/dbraw/zinc/58/56/69/353585669.db2.gz SPRKUZCNKZPISV-UHFFFAOYSA-N 2 0 289.467 2.537 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)CC1(C)C ZINC000623347627 353621421 /nfs/dbraw/zinc/62/14/21/353621421.db2.gz GFZNRZQGNVVJSN-AWEZNQCLSA-N 2 0 280.387 2.667 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccn1 ZINC000623357984 353624034 /nfs/dbraw/zinc/62/40/34/353624034.db2.gz KGYOSJKQNRZTGE-OAHLLOKOSA-N 2 0 275.440 2.992 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623358595 353624944 /nfs/dbraw/zinc/62/49/44/353624944.db2.gz HUINXRRZPSXDES-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@H]2CC[N@H+](C)C(C)(C)C2)([NH+](C)C)C1 ZINC000623371828 353628267 /nfs/dbraw/zinc/62/82/67/353628267.db2.gz VADNSSSKSPHHEP-RYRKJORJSA-N 2 0 295.515 2.959 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623382412 353631514 /nfs/dbraw/zinc/63/15/14/353631514.db2.gz GCFFJACPKFRUDD-INIZCTEOSA-N 2 0 281.488 2.713 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000623395871 353633464 /nfs/dbraw/zinc/63/34/64/353633464.db2.gz CEIQKZFXYFJCIP-LBPRGKRZSA-N 2 0 281.469 2.710 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(O)cc2)CC1(C)C ZINC000623424204 353640722 /nfs/dbraw/zinc/64/07/22/353640722.db2.gz GQWFWHNNGYPWHM-OAHLLOKOSA-N 2 0 276.424 2.787 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623425187 353640858 /nfs/dbraw/zinc/64/08/58/353640858.db2.gz UNISFBWMDCNJBL-UONOGXRCSA-N 2 0 256.434 2.654 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C12CCC2 ZINC000623430198 353642482 /nfs/dbraw/zinc/64/24/82/353642482.db2.gz GCQHQJRQCSOCDP-RBSFLKMASA-N 2 0 280.456 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1(C)C ZINC000623431107 353642610 /nfs/dbraw/zinc/64/26/10/353642610.db2.gz TVLVWSHHNHJZLE-XQLPTFJDSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432349 353643439 /nfs/dbraw/zinc/64/34/39/353643439.db2.gz NXAUELCHJGFFCR-CABCVRRESA-N 2 0 277.456 2.809 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623437777 353644428 /nfs/dbraw/zinc/64/44/28/353644428.db2.gz YCXNLVSBTQTUDF-INIZCTEOSA-N 2 0 283.504 2.958 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623437681 353644545 /nfs/dbraw/zinc/64/45/45/353644545.db2.gz SYGROXHRJQMYPQ-CABCVRRESA-N 2 0 270.461 2.900 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOCc2ccccc2)CC1(C)C ZINC000623437864 353644768 /nfs/dbraw/zinc/64/47/68/353644768.db2.gz ATIJYODWLWDUCX-INIZCTEOSA-N 2 0 276.424 2.666 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)CC1(C)C ZINC000623437227 353644989 /nfs/dbraw/zinc/64/49/89/353644989.db2.gz XPMOBHPPLJGPIH-SNVBAGLBSA-N 2 0 252.324 2.791 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)sc1C ZINC000623450892 353647939 /nfs/dbraw/zinc/64/79/39/353647939.db2.gz ALOVBMSUZAWACU-CYBMUJFWSA-N 2 0 281.469 2.765 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CC1(C)C ZINC000623453212 353648427 /nfs/dbraw/zinc/64/84/27/353648427.db2.gz CYYMWMVPKNVVRS-GJZGRUSLSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1(C)C ZINC000623453214 353648532 /nfs/dbraw/zinc/64/85/32/353648532.db2.gz CYYMWMVPKNVVRS-LSDHHAIUSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)CC1(C)C ZINC000623453211 353648559 /nfs/dbraw/zinc/64/85/59/353648559.db2.gz CYYMWMVPKNVVRS-CABCVRRESA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1(C)C ZINC000623472512 353651443 /nfs/dbraw/zinc/65/14/43/353651443.db2.gz RDIKJLCBSZUTAC-ZJIFWQFVSA-N 2 0 292.467 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)CC1(C)C ZINC000623338591 353617932 /nfs/dbraw/zinc/61/79/32/353617932.db2.gz HPUSPXHNHPAOSV-AWEZNQCLSA-N 2 0 262.397 2.528 20 0 CFADRP C[N@@H+]1CC[C@@H](NCc2ccc3c(n2)CCCC3)CC1(C)C ZINC000623508197 353659587 /nfs/dbraw/zinc/65/95/87/353659587.db2.gz MOYABXUEVDCFEL-OAHLLOKOSA-N 2 0 287.451 2.923 20 0 CFADRP C[N@@H+]1CC[C@H](NCC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC000623507075 353659704 /nfs/dbraw/zinc/65/97/04/353659704.db2.gz WQWGYWSTWPUTSF-HNNXBMFYSA-N 3 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC(C)(C)C2)CC1(C)C ZINC000623509132 353660495 /nfs/dbraw/zinc/66/04/95/353660495.db2.gz UJBQYDIECHKDCP-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623525197 353663394 /nfs/dbraw/zinc/66/33/94/353663394.db2.gz AYSKAQADCNEIDG-CQSZACIVSA-N 2 0 270.461 2.902 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1(C)C ZINC000623526638 353663874 /nfs/dbraw/zinc/66/38/74/353663874.db2.gz LDNCBQYBXMQVFZ-CABCVRRESA-N 2 0 292.398 2.592 20 0 CFADRP COc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1F ZINC000623656126 353696266 /nfs/dbraw/zinc/69/62/66/353696266.db2.gz NSHJQXICKALBCJ-CQSZACIVSA-N 2 0 280.387 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cc(F)ccc2F)C1 ZINC000623656555 353696406 /nfs/dbraw/zinc/69/64/06/353696406.db2.gz WWSVIGZUMOPEBJ-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623536338 353666809 /nfs/dbraw/zinc/66/68/09/353666809.db2.gz SPPKKLKQJRNCAC-NWDGAFQWSA-N 2 0 296.377 2.806 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623539357 353667353 /nfs/dbraw/zinc/66/73/53/353667353.db2.gz KVMWIAISHXBPNA-PMPSAXMXSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623570729 353674437 /nfs/dbraw/zinc/67/44/37/353674437.db2.gz BYOAUQPFVNDHTR-HZPDHXFCSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C3CCCCC3)C2)CC1(C)C ZINC000623570369 353674465 /nfs/dbraw/zinc/67/44/65/353674465.db2.gz QARGBLWAFRZGSO-CVEARBPZSA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)CC1(C)C ZINC000623570371 353674476 /nfs/dbraw/zinc/67/44/76/353674476.db2.gz QARGBLWAFRZGSO-HZPDHXFCSA-N 2 0 293.499 2.856 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000623573493 353675323 /nfs/dbraw/zinc/67/53/23/353675323.db2.gz LABOTIISCLFWRO-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574516 353676104 /nfs/dbraw/zinc/67/61/04/353676104.db2.gz QHAIZFQESILLSJ-DJIMGWMZSA-N 2 0 290.451 2.613 20 0 CFADRP C[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC3CC3)C2)CC1(C)C ZINC000623575189 353676698 /nfs/dbraw/zinc/67/66/98/353676698.db2.gz PAPPJIOYSZRASB-SJORKVTESA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2c[nH]nc2C(C)(C)C)C1 ZINC000623655756 353696864 /nfs/dbraw/zinc/69/68/64/353696864.db2.gz DQMSIYHEYOAFGA-ZDUSSCGKSA-N 2 0 278.444 2.529 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1(C)C ZINC000623589716 353679894 /nfs/dbraw/zinc/67/98/94/353679894.db2.gz VFROGODGHGXPMB-BARDWOONSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000623648955 353694735 /nfs/dbraw/zinc/69/47/35/353694735.db2.gz FKFGMWWOQUALOE-HOTGVXAUSA-N 2 0 287.451 2.884 20 0 CFADRP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623484528 353654711 /nfs/dbraw/zinc/65/47/11/353654711.db2.gz VUMAQTGFFXGTLA-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000623490226 353655884 /nfs/dbraw/zinc/65/58/84/353655884.db2.gz BKDLNMVEJFLPCB-HZPDHXFCSA-N 2 0 281.488 2.713 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCCCO1 ZINC000623959925 353769718 /nfs/dbraw/zinc/76/97/18/353769718.db2.gz CSLNNWBSLCYDTQ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCCO1)[NH+]1CCCCC1 ZINC000623959486 353769742 /nfs/dbraw/zinc/76/97/42/353769742.db2.gz RSMFTQWRXXYMLI-PMPSAXMXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](Nc1[nH+]ccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000623969804 353771719 /nfs/dbraw/zinc/77/17/19/353771719.db2.gz UKORTVGHGUMXKE-LLVKDONJSA-N 2 0 258.369 2.705 20 0 CFADRP C[C@H](Nc1[nH+]ccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000623969805 353772184 /nfs/dbraw/zinc/77/21/84/353772184.db2.gz UKORTVGHGUMXKE-NSHDSACASA-N 2 0 258.369 2.705 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCc3scnc32)C1 ZINC000623999001 353780004 /nfs/dbraw/zinc/78/00/04/353780004.db2.gz IALZOJIKEQROED-OLZOCXBDSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623871718 353745684 /nfs/dbraw/zinc/74/56/84/353745684.db2.gz LCZLDPVFGDXGQG-WBVHZDCISA-N 2 0 276.424 2.666 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CCCCO1 ZINC000623879093 353747060 /nfs/dbraw/zinc/74/70/60/353747060.db2.gz XYGGBMRNCGVLBG-CJNGLKHVSA-N 2 0 266.429 2.551 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624120010 353810374 /nfs/dbraw/zinc/81/03/74/353810374.db2.gz PKYITEWYEFEQIA-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119922 353810550 /nfs/dbraw/zinc/81/05/50/353810550.db2.gz MQSZOANPJCYCSH-HUUCEWRRSA-N 2 0 264.413 2.922 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCCC1 ZINC000624123483 353812666 /nfs/dbraw/zinc/81/26/66/353812666.db2.gz MXBWVOOEPNXFDB-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123609 353813193 /nfs/dbraw/zinc/81/31/93/353813193.db2.gz PIIONCMJQYRDKA-HIFRSBDPSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624123611 353813232 /nfs/dbraw/zinc/81/32/32/353813232.db2.gz PIIONCMJQYRDKA-ZFWWWQNUSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000624199077 353832576 /nfs/dbraw/zinc/83/25/76/353832576.db2.gz GMSYDNDOJRBYLX-HNKHHVNMSA-N 2 0 250.430 2.743 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3CO2)CC1 ZINC000624053895 353794266 /nfs/dbraw/zinc/79/42/66/353794266.db2.gz RKKXNQINDUBCFV-SFHVURJKSA-N 2 0 288.435 2.590 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000624299605 353857136 /nfs/dbraw/zinc/85/71/36/353857136.db2.gz QFFKIEFNKSQSKR-DKIMLUQUSA-N 2 0 288.435 2.664 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC(F)(F)CC1 ZINC000625767136 354103400 /nfs/dbraw/zinc/10/34/00/354103400.db2.gz FVZHRDZGLQBJTN-CYBMUJFWSA-N 2 0 260.372 2.982 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cc(C)ccc1C ZINC000626020350 354172083 /nfs/dbraw/zinc/17/20/83/354172083.db2.gz HVRRJODWMUSTAN-NVXWUHKLSA-N 2 0 278.440 2.657 20 0 CFADRP CC[N@H+](CCCCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062181 354183338 /nfs/dbraw/zinc/18/33/38/354183338.db2.gz KJGJRRFRZLHEFQ-UHFFFAOYSA-N 2 0 278.440 2.997 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423444878 283020478 /nfs/dbraw/zinc/02/04/78/283020478.db2.gz RMBFGJJDQYVEQW-BHYGNILZSA-N 2 0 274.383 2.791 20 0 CFADRP Cc1ncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000628149730 354448178 /nfs/dbraw/zinc/44/81/78/354448178.db2.gz LMGINEGDQQRKMO-UHFFFAOYSA-N 2 0 265.401 2.535 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CCCS2)C1 ZINC000628186116 354466977 /nfs/dbraw/zinc/46/69/77/354466977.db2.gz XWSCJKCPKGGBQS-LSDHHAIUSA-N 2 0 270.486 2.936 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@]3(C)CCCS3)CC[C@H]21 ZINC000628190673 354470054 /nfs/dbraw/zinc/47/00/54/354470054.db2.gz MTNXABFDOJVCFX-KFWWJZLASA-N 2 0 268.470 2.688 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000628201979 354474087 /nfs/dbraw/zinc/47/40/87/354474087.db2.gz CLPWSTCMFIJXDT-ZWKOTPCHSA-N 2 0 295.515 2.820 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC(F)(F)C1 ZINC000628204120 354475265 /nfs/dbraw/zinc/47/52/65/354475265.db2.gz LEEGZYVSDPTAAK-UHTWSYAYSA-N 2 0 258.356 2.637 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000628213786 354479818 /nfs/dbraw/zinc/47/98/18/354479818.db2.gz XWQCSSJTRSHDEQ-KURKYZTESA-N 2 0 295.515 2.676 20 0 CFADRP C[N@@H+]1CC[C@@H](N(CCC[NH3+])c2cccc(F)c2)CC1(C)C ZINC000628237268 354494522 /nfs/dbraw/zinc/49/45/22/354494522.db2.gz HIVDRUZWTARIDO-MRXNPFEDSA-N 2 0 293.430 2.854 20 0 CFADRP CC(C)(C[NH2+]C[C@@]1(C)CCCS1)C[NH+]1CCCC1 ZINC000628251360 354503167 /nfs/dbraw/zinc/50/31/67/354503167.db2.gz DGBPUGQSQABAFL-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@]1(C)CCCS1 ZINC000628259450 354508487 /nfs/dbraw/zinc/50/84/87/354508487.db2.gz VGHUGTUXEASKMS-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000628477468 354599495 /nfs/dbraw/zinc/59/94/95/354599495.db2.gz XUBMZJMCEGNAGZ-AVGNSLFASA-N 2 0 256.459 2.590 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000629529575 354832941 /nfs/dbraw/zinc/83/29/41/354832941.db2.gz HJTOSRCCYJQKKP-INIZCTEOSA-N 2 0 278.440 2.990 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)C1 ZINC000629395523 354801114 /nfs/dbraw/zinc/80/11/14/354801114.db2.gz DXTGECJBDSNKSG-LMSBXDPUSA-N 2 0 293.499 2.760 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(Cl)s1 ZINC000629529243 354833087 /nfs/dbraw/zinc/83/30/87/354833087.db2.gz WIMSTQOQBPWZOS-JTQLQIEISA-N 2 0 276.833 2.678 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000629530410 354833103 /nfs/dbraw/zinc/83/31/03/354833103.db2.gz GINNEPCXMVIWBU-CYBMUJFWSA-N 2 0 290.382 2.866 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCOCCC[NH3+])C[C@@H](c2ccccc2)C1 ZINC000629399029 354803153 /nfs/dbraw/zinc/80/31/53/354803153.db2.gz ATDNHWVHOCGHNT-RYQLBKOJSA-N 2 0 290.451 2.914 20 0 CFADRP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)CC1 ZINC000629531701 354833589 /nfs/dbraw/zinc/83/35/89/354833589.db2.gz VBZHRYCCTXEEJU-BPUTZDHNSA-N 2 0 268.445 2.558 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000629531041 354833862 /nfs/dbraw/zinc/83/38/62/354833862.db2.gz YEKWWQPKDVHNIM-IRXDYDNUSA-N 2 0 276.424 2.697 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1CC(C)C ZINC000629509973 354823700 /nfs/dbraw/zinc/82/37/00/354823700.db2.gz DJIPTRVVCHLEAS-QGZVFWFLSA-N 2 0 278.440 2.729 20 0 CFADRP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629513773 354824719 /nfs/dbraw/zinc/82/47/19/354824719.db2.gz IAFKLSNHRDWSBF-FZKCQIBNSA-N 2 0 258.409 2.896 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc2c1 ZINC000629516812 354825386 /nfs/dbraw/zinc/82/53/86/354825386.db2.gz QYCCFXAOUQKFAM-ZIAGYGMSSA-N 2 0 269.392 2.712 20 0 CFADRP CCC[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])OCC ZINC000629515938 354825689 /nfs/dbraw/zinc/82/56/89/354825689.db2.gz VZPCLDKYZGYOOT-USXIJHARSA-N 2 0 278.440 2.740 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C)c1 ZINC000629518688 354826699 /nfs/dbraw/zinc/82/66/99/354826699.db2.gz BHFPQZHNKUXOPQ-OAHLLOKOSA-N 2 0 262.397 2.544 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000629519014 354826990 /nfs/dbraw/zinc/82/69/90/354826990.db2.gz AHRYATVKZIHSQR-UONOGXRCSA-N 2 0 275.440 2.937 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629521657 354827624 /nfs/dbraw/zinc/82/76/24/354827624.db2.gz QFWHSDSGRPLKGJ-MLGOLLRUSA-N 2 0 292.398 2.547 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCCc3ccccc32)CCOCC1 ZINC000629522315 354827889 /nfs/dbraw/zinc/82/78/89/354827889.db2.gz XPGJKPJWCKEZSO-INIZCTEOSA-N 2 0 274.408 2.552 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629522643 354828723 /nfs/dbraw/zinc/82/87/23/354828723.db2.gz FTURIYJDSCKPHC-DAXOMENPSA-N 2 0 262.397 2.518 20 0 CFADRP Cc1cc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1C ZINC000629524379 354829786 /nfs/dbraw/zinc/82/97/86/354829786.db2.gz PYYCKXYAIAWLEE-OAHLLOKOSA-N 2 0 276.424 2.770 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000629524936 354830025 /nfs/dbraw/zinc/83/00/25/354830025.db2.gz VPRXGTTUXRWHEO-HUUCEWRRSA-N 2 0 275.440 2.917 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000629528627 354831960 /nfs/dbraw/zinc/83/19/60/354831960.db2.gz FJFNYGKVLFNYJX-OAHLLOKOSA-N 2 0 278.440 2.772 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC3=Cc4ccccc4OC3)C[C@H]21 ZINC000629646672 354874595 /nfs/dbraw/zinc/87/45/95/354874595.db2.gz BVAMVHSMYUCHAR-GVDBMIGSSA-N 2 0 284.403 2.522 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)CO2 ZINC000629649085 354876206 /nfs/dbraw/zinc/87/62/06/354876206.db2.gz HOEHQLUACRJDOY-QZTJIDSGSA-N 2 0 298.430 2.926 20 0 CFADRP COC1(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCC1 ZINC000629649940 354876421 /nfs/dbraw/zinc/87/64/21/354876421.db2.gz LTPYSCSIOYMMPZ-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(-c2ccccc2)o1 ZINC000629534556 354834820 /nfs/dbraw/zinc/83/48/20/354834820.db2.gz AOJVWMVDLZEEDV-CQSZACIVSA-N 2 0 288.391 2.963 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000629535232 354835816 /nfs/dbraw/zinc/83/58/16/354835816.db2.gz BSAKWEDMWTVJAA-INIZCTEOSA-N 2 0 296.842 2.616 20 0 CFADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629539628 354837442 /nfs/dbraw/zinc/83/74/42/354837442.db2.gz NHOZEWAXAOZAGI-ZDUSSCGKSA-N 2 0 276.380 2.757 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629539436 354837885 /nfs/dbraw/zinc/83/78/85/354837885.db2.gz RFPKVDKADOWMBY-LSDHHAIUSA-N 2 0 256.434 2.546 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000629540130 354838419 /nfs/dbraw/zinc/83/84/19/354838419.db2.gz UNZUTOOGNJNJFB-ZBFHGGJFSA-N 2 0 296.842 2.931 20 0 CFADRP CC(C)[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629539968 354838583 /nfs/dbraw/zinc/83/85/83/354838583.db2.gz SMLWFUWODCSNNU-OAHLLOKOSA-N 2 0 284.831 2.992 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543476 354840824 /nfs/dbraw/zinc/84/08/24/354840824.db2.gz CHOKSNPBCWMSHB-BNOWGMLFSA-N 2 0 297.805 2.527 20 0 CFADRP Cc1cncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000629548774 354843575 /nfs/dbraw/zinc/84/35/75/354843575.db2.gz YAVYBWNLIGTVGX-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551536 354844441 /nfs/dbraw/zinc/84/44/41/354844441.db2.gz UZUMDJXEOCASLX-GHMZBOCLSA-N 2 0 264.335 2.826 20 0 CFADRP Fc1ccc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629550599 354844809 /nfs/dbraw/zinc/84/48/09/354844809.db2.gz OSAKERHMOVUUMT-JSGCOSHPSA-N 2 0 280.362 2.754 20 0 CFADRP COc1ccc([C@H]2CCCC[C@@H]2N[C@@H]2CC[NH2+]C2)cc1F ZINC000629553469 354845805 /nfs/dbraw/zinc/84/58/05/354845805.db2.gz QXPIGMCVYRNFMD-FMKPAKJESA-N 2 0 292.398 2.812 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@H](C)C1(F)F ZINC000629552516 354845944 /nfs/dbraw/zinc/84/59/44/354845944.db2.gz LGQYFWHXOZGAOD-RYUDHWBXSA-N 2 0 260.372 2.599 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH2+]CC2)C[C@@H](C)C1(F)F ZINC000629552518 354846002 /nfs/dbraw/zinc/84/60/02/354846002.db2.gz LGQYFWHXOZGAOD-VXGBXAGGSA-N 2 0 260.372 2.599 20 0 CFADRP C[NH2+]CCC[N@H+](CCc1ccc(F)cc1)CC(C)C ZINC000629581972 354849946 /nfs/dbraw/zinc/84/99/46/354849946.db2.gz LDQJFCNOZQQFBP-UHFFFAOYSA-N 2 0 266.404 2.936 20 0 CFADRP COc1cccc2c1C[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000629582019 354849961 /nfs/dbraw/zinc/84/99/61/354849961.db2.gz MGCFLFSDQMYWQX-UHFFFAOYSA-N 2 0 274.408 2.791 20 0 CFADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1=CCCCC1 ZINC000629577693 354850701 /nfs/dbraw/zinc/85/07/01/354850701.db2.gz SFQKOBVGUUGIKP-MRXNPFEDSA-N 2 0 280.456 2.559 20 0 CFADRP C(CC1CCC1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591751 354853531 /nfs/dbraw/zinc/85/35/31/354853531.db2.gz MQEIKCWORBWXSK-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1F ZINC000629673089 354886110 /nfs/dbraw/zinc/88/61/10/354886110.db2.gz VZEPDPVMYBQZKA-WMLDXEAASA-N 2 0 292.398 2.623 20 0 CFADRP COc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cn1 ZINC000629695363 354897363 /nfs/dbraw/zinc/89/73/63/354897363.db2.gz ZGRQCHHTJAOWJV-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP C[N@H+](Cc1cccc(-c2ccc([C@H]([NH3+])CO)cc2)c1)C1CC1 ZINC000629709332 354904314 /nfs/dbraw/zinc/90/43/14/354904314.db2.gz YNRBDPKPDCKAQE-LJQANCHMSA-N 2 0 296.414 2.940 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(CO)cc3)c2)CC1 ZINC000629729586 354910499 /nfs/dbraw/zinc/91/04/99/354910499.db2.gz VOBGILDHARTCDH-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629662907 354882744 /nfs/dbraw/zinc/88/27/44/354882744.db2.gz FEYCGQHIFOJJPQ-OIISXLGYSA-N 2 0 258.409 2.722 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3cccnc32)CC1 ZINC000271770066 191314575 /nfs/dbraw/zinc/31/45/75/191314575.db2.gz BHYGJXIJKJXXDR-UHFFFAOYSA-N 2 0 267.376 2.586 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000567123490 290440937 /nfs/dbraw/zinc/44/09/37/290440937.db2.gz JFSFTBMKVVKUGU-SOUVJXGZSA-N 2 0 261.413 2.947 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666227808 540101612 /nfs/dbraw/zinc/10/16/12/540101612.db2.gz JDSUVEWFWPRNLY-YPMHNXCESA-N 2 0 260.372 2.740 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2CCC(C)CC2)on1 ZINC000631042399 355260705 /nfs/dbraw/zinc/26/07/05/355260705.db2.gz JMPQKNJIIWJLDL-UHFFFAOYSA-N 2 0 265.401 2.585 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000271851623 191368013 /nfs/dbraw/zinc/36/80/13/191368013.db2.gz UARQYVOVWZXLHI-UHFFFAOYSA-N 2 0 256.349 2.784 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc2c(c1)CCO2 ZINC000271852785 191368225 /nfs/dbraw/zinc/36/82/25/191368225.db2.gz IVPDBTLQDSQJGH-KRWDZBQOSA-N 2 0 286.419 2.924 20 0 CFADRP COc1cncc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1C ZINC000631038175 355258558 /nfs/dbraw/zinc/25/85/58/355258558.db2.gz UFXUWEOAKBLRPH-UHFFFAOYSA-N 2 0 299.418 2.750 20 0 CFADRP Cc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(F)c1 ZINC000631111506 355297373 /nfs/dbraw/zinc/29/73/73/355297373.db2.gz SYJLQTVSVNNZCJ-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(C(F)F)nc1)C1CC1 ZINC000631154947 355318970 /nfs/dbraw/zinc/31/89/70/355318970.db2.gz KQKQPJNXAYSLIT-UHFFFAOYSA-N 2 0 283.366 2.983 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCCC23CC3)n(-c2cc[nH+]cc2)n1 ZINC000631193545 355342191 /nfs/dbraw/zinc/34/21/91/355342191.db2.gz PWVUNDBXVJLAGB-OAHLLOKOSA-N 2 0 268.364 2.690 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC000631196912 355343935 /nfs/dbraw/zinc/34/39/35/355343935.db2.gz WKXZINAGKPEXSO-VQIMIIECSA-N 2 0 295.430 2.939 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000631228301 355362475 /nfs/dbraw/zinc/36/24/75/355362475.db2.gz XNKNHCLCTUSRDM-RDJZCZTQSA-N 2 0 282.391 2.998 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000631570019 355491894 /nfs/dbraw/zinc/49/18/94/355491894.db2.gz PNZPQHLEYMTTRF-JJRVBVJISA-N 2 0 271.408 2.675 20 0 CFADRP CCc1cc(N2CCC(CC)([NH+](C)C)CC2)cc[nH+]1 ZINC000631494364 355461347 /nfs/dbraw/zinc/46/13/47/355461347.db2.gz NMBCQZALPSTIEU-UHFFFAOYSA-N 2 0 261.413 2.955 20 0 CFADRP c1nc2n(c1C[NH+]1CCC(c3ccncc3)CC1)CCC2 ZINC000668156483 540161272 /nfs/dbraw/zinc/16/12/72/540161272.db2.gz RIQUFTBXQWPOLG-UHFFFAOYSA-N 2 0 282.391 2.604 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000631564247 355489471 /nfs/dbraw/zinc/48/94/71/355489471.db2.gz GLRIGBFGNFCNQY-KRWDZBQOSA-N 2 0 274.408 2.758 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631663481 355536794 /nfs/dbraw/zinc/53/67/94/355536794.db2.gz JHMBGERWESPWLG-SOLBZPMBSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCC(F)(F)C1)CC[NH2+]CC2 ZINC000631828946 355597273 /nfs/dbraw/zinc/59/72/73/355597273.db2.gz CISQIGHOGBDFII-OLZOCXBDSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc3c2CCOC3)[C@@H]1CC[NH3+] ZINC000631828950 355597532 /nfs/dbraw/zinc/59/75/32/355597532.db2.gz CMUQGPLJUHXJBS-KBXCAEBGSA-N 2 0 288.435 2.709 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)C[C@H]21 ZINC000229192202 540174050 /nfs/dbraw/zinc/17/40/50/540174050.db2.gz WEOPBDQZSAAOAY-YALNPMBYSA-N 2 0 286.419 2.612 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631842266 355604095 /nfs/dbraw/zinc/60/40/95/355604095.db2.gz XWNNZTTVLCJZFI-DZGCQCFKSA-N 2 0 262.397 2.500 20 0 CFADRP Clc1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886980 355614066 /nfs/dbraw/zinc/61/40/66/355614066.db2.gz NOGQXDIRFFTDFS-XJKSGUPXSA-N 2 0 294.826 2.793 20 0 CFADRP CCC(CC)(CC)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000679839183 540177156 /nfs/dbraw/zinc/17/71/56/540177156.db2.gz KCTRNOMVWCACFX-UHFFFAOYSA-N 2 0 283.504 2.820 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000229370754 540179678 /nfs/dbraw/zinc/17/96/78/540179678.db2.gz TWTTUNLUAXWERK-GJZGRUSLSA-N 2 0 268.445 2.783 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000229367246 540180109 /nfs/dbraw/zinc/18/01/09/540180109.db2.gz XSOFAUWGDPZQDB-SJORKVTESA-N 2 0 292.467 2.942 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000084168124 540196532 /nfs/dbraw/zinc/19/65/32/540196532.db2.gz NLHRHSNGJWMGDT-UHFFFAOYSA-N 2 0 277.412 2.594 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000348706769 283132651 /nfs/dbraw/zinc/13/26/51/283132651.db2.gz UVUMBNVZNKLSQK-KAKVVRBNSA-N 2 0 276.346 2.790 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000453311570 283137977 /nfs/dbraw/zinc/13/79/77/283137977.db2.gz GNAAODZQNLJADU-NCOADZHNSA-N 2 0 292.467 2.798 20 0 CFADRP Fc1ccc(F)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000334175551 540242463 /nfs/dbraw/zinc/24/24/63/540242463.db2.gz BSDPDMLBUINFIA-HNNXBMFYSA-N 2 0 266.335 2.540 20 0 CFADRP CCSCC[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000273666703 192253814 /nfs/dbraw/zinc/25/38/14/192253814.db2.gz FQAWMRQDYTUJGT-UHFFFAOYSA-N 2 0 296.480 2.860 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000567915269 290504814 /nfs/dbraw/zinc/50/48/14/290504814.db2.gz MNQQJNGUOUDOAJ-APAOZMKASA-N 2 0 264.344 2.507 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422712762 283214662 /nfs/dbraw/zinc/21/46/62/283214662.db2.gz OQLMOZBRIGLDKF-CVEARBPZSA-N 2 0 269.477 2.748 20 0 CFADRP CCC[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000359199700 283215633 /nfs/dbraw/zinc/21/56/33/283215633.db2.gz DWWHDYNVUHAGBX-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248548 290539639 /nfs/dbraw/zinc/53/96/39/290539639.db2.gz ULLVPAQQFWNMKZ-UMVBOHGHSA-N 2 0 260.381 2.678 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCOc2ccc(F)cc2)C1 ZINC000568248600 290539742 /nfs/dbraw/zinc/53/97/42/290539742.db2.gz VNRGJWBJLPWSOZ-CABCVRRESA-N 2 0 280.387 2.844 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000339068561 540283166 /nfs/dbraw/zinc/28/31/66/540283166.db2.gz OBWCZDMJYRCHPW-KBPBESRZSA-N 2 0 279.453 2.519 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccc(F)cc1 ZINC000339069780 540283759 /nfs/dbraw/zinc/28/37/59/540283759.db2.gz KYEKGEFVGLINOX-BMFZPTHFSA-N 2 0 292.398 2.809 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070506 540283818 /nfs/dbraw/zinc/28/38/18/540283818.db2.gz OSZRDRKFMQTAJN-IKGGRYGDSA-N 2 0 288.435 2.979 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000357043642 540308331 /nfs/dbraw/zinc/30/83/31/540308331.db2.gz GTOVLEITZNBZIQ-KRWDZBQOSA-N 2 0 288.435 2.825 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000233909403 540305462 /nfs/dbraw/zinc/30/54/62/540305462.db2.gz RSIFUUNBWIGGDF-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000228181047 540384733 /nfs/dbraw/zinc/38/47/33/540384733.db2.gz CKWDUQBVSOTQGP-CVEARBPZSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000294685116 199133180 /nfs/dbraw/zinc/13/31/80/199133180.db2.gz AHQXUSIZSYQKTI-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP C[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)C[NH+](C)C ZINC000310791638 295969570 /nfs/dbraw/zinc/96/95/70/295969570.db2.gz UYSMHTRFKVQQCS-MGWQBKBZSA-N 2 0 250.430 2.598 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420298863 236606488 /nfs/dbraw/zinc/60/64/88/236606488.db2.gz IDBCNEPKDKWDJO-VYDXJSESSA-N 2 0 282.472 2.543 20 0 CFADRP CCC[NH2+]CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414878394 283390415 /nfs/dbraw/zinc/39/04/15/283390415.db2.gz ZPLWLWQDNCGTDU-UHFFFAOYSA-N 2 0 252.324 2.697 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000335032009 283427347 /nfs/dbraw/zinc/42/73/47/283427347.db2.gz VACOINJSTQOYLC-QOZQQMKHSA-N 2 0 278.371 2.756 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000094341894 540448015 /nfs/dbraw/zinc/44/80/15/540448015.db2.gz YPLVPVAAFHZDDX-RISCZKNCSA-N 2 0 268.401 2.587 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000678601788 540469284 /nfs/dbraw/zinc/46/92/84/540469284.db2.gz GIHAVKGUOVDXQR-DOTOQJQBSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC000422563440 237107303 /nfs/dbraw/zinc/10/73/03/237107303.db2.gz SWJUMVMAYRTVOH-XJKCOSOUSA-N 2 0 299.418 2.746 20 0 CFADRP C[C@@H]1C[C@H](C)N(Cc2cc(C(C)(C)C)on2)C[C@@H]1C[NH3+] ZINC000422639225 237117942 /nfs/dbraw/zinc/11/79/42/237117942.db2.gz SKLRSTWMSCNRCC-AGIUHOORSA-N 2 0 279.428 2.777 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694143 237119375 /nfs/dbraw/zinc/11/93/75/237119375.db2.gz NPZKVMZBYYZLJT-LSDHHAIUSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000669688629 540487446 /nfs/dbraw/zinc/48/74/46/540487446.db2.gz YIMMNKNJWZKVPL-MRVWCRGKSA-N 2 0 298.352 2.960 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422730218 237145024 /nfs/dbraw/zinc/14/50/24/237145024.db2.gz JHGDKCJLVYNODV-WBVHZDCISA-N 2 0 271.408 2.960 20 0 CFADRP C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422732693 237147041 /nfs/dbraw/zinc/14/70/41/237147041.db2.gz QEKYIIGCQMWARE-DFBDCSAJSA-N 2 0 294.483 2.950 20 0 CFADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000245692091 540519977 /nfs/dbraw/zinc/51/99/77/540519977.db2.gz WDNZMWGOYAXJIE-KZNAEPCWSA-N 2 0 294.483 2.878 20 0 CFADRP O[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245692102 540520156 /nfs/dbraw/zinc/52/01/56/540520156.db2.gz WDNZMWGOYAXJIE-RCCFBDPRSA-N 2 0 294.483 2.878 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422700596 237122722 /nfs/dbraw/zinc/12/27/22/237122722.db2.gz AIJXQXYRJAAZFM-HOTGVXAUSA-N 2 0 268.445 2.975 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000422707032 237125319 /nfs/dbraw/zinc/12/53/19/237125319.db2.gz GMYPKOHYIPJYRS-DOTOQJQBSA-N 2 0 276.424 2.790 20 0 CFADRP c1ccc(CCOCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422707612 237126541 /nfs/dbraw/zinc/12/65/41/237126541.db2.gz HUDYCBUGRZLWSY-JWTNVVGKSA-N 2 0 288.435 2.508 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)c2ccccc21 ZINC000422703665 237126624 /nfs/dbraw/zinc/12/66/24/237126624.db2.gz NQXUNGRJURWDQR-IXDOHACOSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000422703913 237126758 /nfs/dbraw/zinc/12/67/58/237126758.db2.gz ODMNCQKSNHOLME-KBPBESRZSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@H]([NH2+]CCCOCCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422711400 237128633 /nfs/dbraw/zinc/12/86/33/237128633.db2.gz NBAVGKWOTTZZLA-FUHWJXTLSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCc2ccccc21 ZINC000422713880 237133100 /nfs/dbraw/zinc/13/31/00/237133100.db2.gz KKIPYCGQCHXFQE-LSDHHAIUSA-N 2 0 275.440 2.545 20 0 CFADRP c1nc([C@H]2CCC[N@@H+]([C@H]3CCCOC3)C2)n2c1CCCC2 ZINC000669694763 540511639 /nfs/dbraw/zinc/51/16/39/540511639.db2.gz CXYHHDHXXHLDPK-HOCLYGCPSA-N 2 0 289.423 2.578 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422720745 237136077 /nfs/dbraw/zinc/13/60/77/237136077.db2.gz SZXINNXWUCJZQH-SWLSCSKDSA-N 2 0 282.815 2.826 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000422727276 237140354 /nfs/dbraw/zinc/14/03/54/237140354.db2.gz HAMFUQYWUPCBEE-GVDBMIGSSA-N 2 0 293.430 2.678 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000251470603 540537018 /nfs/dbraw/zinc/53/70/18/540537018.db2.gz KROVCJXTFVEGRH-DLBZAZTESA-N 2 0 258.409 2.959 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422771473 237189888 /nfs/dbraw/zinc/18/98/88/237189888.db2.gz YFNWTLGJWXXTMU-QWRGUYRKSA-N 2 0 263.360 2.565 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422748716 237161981 /nfs/dbraw/zinc/16/19/81/237161981.db2.gz VUBUCWQICUDLAE-IRXDYDNUSA-N 3 0 284.407 2.622 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000422752927 237166451 /nfs/dbraw/zinc/16/64/51/237166451.db2.gz BMKKQLRRKNXBOO-UWVGGRQHSA-N 2 0 258.312 2.503 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000250893686 540532208 /nfs/dbraw/zinc/53/22/08/540532208.db2.gz GFIKOUJJRJXKCK-BFHYXJOUSA-N 2 0 279.453 2.504 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000422760827 237176492 /nfs/dbraw/zinc/17/64/92/237176492.db2.gz LIYMWDGPRPYWJG-RAQOOLMWSA-N 2 0 264.438 2.860 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422761473 237176634 /nfs/dbraw/zinc/17/66/34/237176634.db2.gz MRWFZBNEGANXHZ-IAQYHMDHSA-N 2 0 275.371 2.567 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422803116 237228398 /nfs/dbraw/zinc/22/83/98/237228398.db2.gz FMGPCJDNBOEYNS-UONOGXRCSA-N 2 0 269.392 2.964 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251717410 540550638 /nfs/dbraw/zinc/55/06/38/540550638.db2.gz JUCWEUOYLZEQFJ-IUODEOHRSA-N 2 0 282.815 2.778 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000422799552 237224569 /nfs/dbraw/zinc/22/45/69/237224569.db2.gz XFSHEEFTNMXOLB-YJBOKZPZSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1ccc(Cl)cc1 ZINC000422799816 237225245 /nfs/dbraw/zinc/22/52/45/237225245.db2.gz YPNXDAXVFZROQT-HONMWMINSA-N 2 0 268.788 2.577 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000251789902 540552146 /nfs/dbraw/zinc/55/21/46/540552146.db2.gz NNBULOAORNBJDQ-GXTWGEPZSA-N 2 0 284.350 2.847 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422778485 237195572 /nfs/dbraw/zinc/19/55/72/237195572.db2.gz APZUVDYOYUTBDP-LSDHHAIUSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422778572 237196105 /nfs/dbraw/zinc/19/61/05/237196105.db2.gz ASOFIRATTFXNHO-WWGRRREGSA-N 2 0 280.387 2.700 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000251908310 540554724 /nfs/dbraw/zinc/55/47/24/540554724.db2.gz XMROPZPXNHZXCY-GDBMZVCRSA-N 2 0 262.397 2.645 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(C)c1 ZINC000422776036 237196279 /nfs/dbraw/zinc/19/62/79/237196279.db2.gz BYLLWERTCLCGJL-MRXNPFEDSA-N 2 0 278.440 2.616 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000422778765 237198534 /nfs/dbraw/zinc/19/85/34/237198534.db2.gz DZJDWGPWKBHEEZ-AEGPPILISA-N 2 0 282.815 2.745 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779729 237198711 /nfs/dbraw/zinc/19/87/11/237198711.db2.gz ITXHOVJZKTYPFG-CJNGLKHVSA-N 2 0 271.408 2.749 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)c2ccccc21 ZINC000422781872 237202828 /nfs/dbraw/zinc/20/28/28/237202828.db2.gz LGJNCQXMYREMFK-LZQZEXGQSA-N 2 0 296.414 2.887 20 0 CFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000453104921 299293138 /nfs/dbraw/zinc/29/31/38/299293138.db2.gz VTVAFIOUAFJKEY-SQNIBIBYSA-N 2 0 295.515 2.818 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422788885 237210314 /nfs/dbraw/zinc/21/03/14/237210314.db2.gz NVQVMHBXPLBDLY-CKEIUWERSA-N 2 0 292.423 2.570 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1NCc1ccccc1C[NH+]1CCCCC1 ZINC000422790153 237211908 /nfs/dbraw/zinc/21/19/08/237211908.db2.gz PCTGEYSWGIYSDD-QZTJIDSGSA-N 2 0 287.451 2.642 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(F)cc1 ZINC000422793368 237214741 /nfs/dbraw/zinc/21/47/41/237214741.db2.gz SALBKKVMJCDLHQ-WOSRLPQWSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422792192 237214838 /nfs/dbraw/zinc/21/48/38/237214838.db2.gz VRXMQHBSCRGBLQ-NUEKZKHPSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cs1 ZINC000422819579 237250163 /nfs/dbraw/zinc/25/01/63/237250163.db2.gz NMDPOESYVPVVTL-WBMJQRKESA-N 2 0 289.448 2.542 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422824741 237253325 /nfs/dbraw/zinc/25/33/25/237253325.db2.gz OFTRJRKJJJFOMI-JYJNAYRXSA-N 2 0 277.456 2.612 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422828981 237254670 /nfs/dbraw/zinc/25/46/70/237254670.db2.gz UGDPMDQVEDHBQE-SJLPKXTDSA-N 2 0 298.434 2.522 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)c2ccccc21 ZINC000422814715 237239609 /nfs/dbraw/zinc/23/96/09/237239609.db2.gz VYLHWXFPSOLANA-HOTGVXAUSA-N 2 0 274.408 2.664 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000422814489 237241057 /nfs/dbraw/zinc/24/10/57/237241057.db2.gz VDBQACMGYLMPPN-FUHWJXTLSA-N 2 0 284.403 2.936 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000422853526 237277401 /nfs/dbraw/zinc/27/74/01/237277401.db2.gz ZAKOWLLOTMORLS-CWRNSKLLSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422859033 237278620 /nfs/dbraw/zinc/27/86/20/237278620.db2.gz JLPHFIYMJJDKGS-DUQPFJRNSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)c1ccccc1 ZINC000422866718 237284776 /nfs/dbraw/zinc/28/47/76/237284776.db2.gz QVUAMIQLNKEFRA-QQFBHYJXSA-N 2 0 275.440 2.618 20 0 CFADRP Fc1cc(F)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000157024543 540595269 /nfs/dbraw/zinc/59/52/69/540595269.db2.gz COIYFOJJDDIOIA-CJNGLKHVSA-N 2 0 280.362 2.929 20 0 CFADRP Fc1cc(F)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000157024393 540595643 /nfs/dbraw/zinc/59/56/43/540595643.db2.gz COIYFOJJDDIOIA-BBRMVZONSA-N 2 0 280.362 2.929 20 0 CFADRP CC(C)COc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666945572 540595721 /nfs/dbraw/zinc/59/57/21/540595721.db2.gz YKPCFIGGDXNAQC-GJZGRUSLSA-N 2 0 280.387 2.511 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000422869817 237289123 /nfs/dbraw/zinc/28/91/23/237289123.db2.gz YDEOEEBCISEXNJ-DMDPSCGWSA-N 2 0 250.411 2.939 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422874979 237296239 /nfs/dbraw/zinc/29/62/39/237296239.db2.gz OJMLRUYFBZIULU-HPBDAGMYSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000422880073 237299173 /nfs/dbraw/zinc/29/91/73/237299173.db2.gz LOMOXBRDXSHALB-QWRGUYRKSA-N 2 0 290.329 2.843 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422838532 237265690 /nfs/dbraw/zinc/26/56/90/237265690.db2.gz OSAQZGOURXRMNO-NHYWBVRUSA-N 2 0 275.371 2.567 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000422844606 237267981 /nfs/dbraw/zinc/26/79/81/237267981.db2.gz MIODWPUETXOVAT-RISCZKNCSA-N 2 0 298.427 2.706 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422882392 237303047 /nfs/dbraw/zinc/30/30/47/237303047.db2.gz ZZDMLYUOPQKBKC-ATLSCFEFSA-N 2 0 290.451 2.519 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000422881546 237303867 /nfs/dbraw/zinc/30/38/67/237303867.db2.gz YWNWXLGEEFLAFH-YQQAZPJKSA-N 2 0 278.440 2.648 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])N2CCCC2)o1 ZINC000422884162 237305190 /nfs/dbraw/zinc/30/51/90/237305190.db2.gz WJGSGCWHSMJDPJ-HOCLYGCPSA-N 2 0 293.455 2.832 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422885838 237305809 /nfs/dbraw/zinc/30/58/09/237305809.db2.gz HHOAVSNBRZTGOE-UWVGGRQHSA-N 2 0 256.777 2.564 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(F)ccc2C)CC[C@@H]1[NH3+] ZINC000157094360 540604609 /nfs/dbraw/zinc/60/46/09/540604609.db2.gz ICGCPPSFABEFJX-WFASDCNBSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000422887343 237310419 /nfs/dbraw/zinc/31/04/19/237310419.db2.gz KOEXZALGYYOFNW-RDJZCZTQSA-N 2 0 298.434 2.706 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422887768 237310471 /nfs/dbraw/zinc/31/04/71/237310471.db2.gz ZJMNRWWIYALAGD-BRWVUGGUSA-N 3 0 281.488 2.748 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCCC1 ZINC000422889930 237313334 /nfs/dbraw/zinc/31/33/34/237313334.db2.gz QWPQSEAIKZEMPB-GJZGRUSLSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422897896 237318273 /nfs/dbraw/zinc/31/82/73/237318273.db2.gz KNLJKQSXFNBNAG-HNNXBMFYSA-N 2 0 290.455 2.679 20 0 CFADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1F ZINC000422898538 237321344 /nfs/dbraw/zinc/32/13/44/237321344.db2.gz FIGUNKJNJYJGHA-VXGBXAGGSA-N 2 0 290.386 2.535 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902023 237324183 /nfs/dbraw/zinc/32/41/83/237324183.db2.gz MHXSKLUGJMWFDD-HZPDHXFCSA-N 3 0 289.467 2.614 20 0 CFADRP Cc1nccn1-c1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1F ZINC000422905500 237327720 /nfs/dbraw/zinc/32/77/20/237327720.db2.gz SGUJQFCNPTYEOG-GFCCVEGCSA-N 2 0 290.386 2.537 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422944904 237374161 /nfs/dbraw/zinc/37/41/61/237374161.db2.gz MTVCKODRMRNMPW-BBRMVZONSA-N 2 0 276.424 2.660 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422943519 237374415 /nfs/dbraw/zinc/37/44/15/237374415.db2.gz KOTIVMMZIDMWMK-OCCSQVGLSA-N 2 0 284.350 2.548 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422939270 237368732 /nfs/dbraw/zinc/36/87/32/237368732.db2.gz LSJCXLUHBALSNM-ZFWWWQNUSA-N 2 0 292.423 2.887 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Br)c1 ZINC000422940707 237370945 /nfs/dbraw/zinc/37/09/45/237370945.db2.gz UFQYZHRPXLQUIM-VHSXEESVSA-N 2 0 271.202 2.665 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422942915 237371079 /nfs/dbraw/zinc/37/10/79/237371079.db2.gz KYLZBBYUHUCRAH-GHMZBOCLSA-N 2 0 290.329 2.800 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422940297 237371480 /nfs/dbraw/zinc/37/14/80/237371480.db2.gz GVLSOGNNKKPWLP-DZGCQCFKSA-N 2 0 266.816 2.990 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o2)cs1 ZINC000422942528 237371855 /nfs/dbraw/zinc/37/18/55/237371855.db2.gz KPIAXZXNGWTILX-UWVGGRQHSA-N 2 0 279.409 2.927 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2cccc(F)c2)c2ccccc21 ZINC000422946440 237373340 /nfs/dbraw/zinc/37/33/40/237373340.db2.gz OOKIFQGIBTUZAB-IAGOWNOFSA-N 2 0 286.350 2.939 20 0 CFADRP Cc1nccn1C[C@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422951954 237382550 /nfs/dbraw/zinc/38/25/50/237382550.db2.gz AYXIGMVVOCZUSL-BFYDXBDKSA-N 2 0 292.471 2.728 20 0 CFADRP C[C@H](CC[NH2+]Cc1ccc(O)cc1)[NH+]1CCCCC1 ZINC000682406207 540646438 /nfs/dbraw/zinc/64/64/38/540646438.db2.gz DZHIKBMWZVICKI-CQSZACIVSA-N 2 0 262.397 2.746 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000422961784 237391857 /nfs/dbraw/zinc/39/18/57/237391857.db2.gz ZZEFJGOKDBWNCD-LBPRGKRZSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423019643 237443834 /nfs/dbraw/zinc/44/38/34/237443834.db2.gz WPEABYYTKNDERQ-AWEZNQCLSA-N 2 0 260.425 2.899 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423030754 237458405 /nfs/dbraw/zinc/45/84/05/237458405.db2.gz WFJWSLVWWGXDTQ-QWRGUYRKSA-N 2 0 269.458 2.699 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(C)(C)C ZINC000423028898 237459551 /nfs/dbraw/zinc/45/95/51/237459551.db2.gz HGIWDPGYUDOPPN-JHJVBQTASA-N 2 0 258.475 2.871 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C)CCCCCC1 ZINC000423028733 237459734 /nfs/dbraw/zinc/45/97/34/237459734.db2.gz RANIPYLUFVQEJB-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000423512182 283485458 /nfs/dbraw/zinc/48/54/58/283485458.db2.gz QRMGXCFQJIXGHY-QRTLGDNMSA-N 2 0 284.325 2.808 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423081055 237512200 /nfs/dbraw/zinc/51/22/00/237512200.db2.gz AXHNUYKHYPNYNG-MAUKXSAKSA-N 2 0 287.451 2.633 20 0 CFADRP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000403449594 540671498 /nfs/dbraw/zinc/67/14/98/540671498.db2.gz FQQKLDQFIXDVHD-JJTUDDRGSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@H]1CCC[N@H+](CCOCc2ccccc2)[C@H]1CC[NH3+] ZINC000404298894 540677157 /nfs/dbraw/zinc/67/71/57/540677157.db2.gz FFSFPHNHDUOKFX-RDJZCZTQSA-N 2 0 276.424 2.653 20 0 CFADRP C[NH+](C)Cc1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000298004813 200316249 /nfs/dbraw/zinc/31/62/49/200316249.db2.gz ZWNVPUWPSLIBRW-UHFFFAOYSA-N 2 0 273.424 2.787 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423049432 283513483 /nfs/dbraw/zinc/51/34/83/283513483.db2.gz XNMNXKFUXCPQEG-WBVHZDCISA-N 2 0 287.451 2.894 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671296524 540687313 /nfs/dbraw/zinc/68/73/13/540687313.db2.gz SDQFOOAGXFFGDO-JKSUJKDBSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671296520 540686800 /nfs/dbraw/zinc/68/68/00/540686800.db2.gz SDQFOOAGXFFGDO-CVEARBPZSA-N 2 0 295.515 2.959 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000435881176 240362712 /nfs/dbraw/zinc/36/27/12/240362712.db2.gz SWNPCJZTUUMSKB-DOMZBBRYSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1COc2ccccc21 ZINC000415086229 299309661 /nfs/dbraw/zinc/30/96/61/299309661.db2.gz RUCYEFMXXOYYRZ-HLPPOEQASA-N 2 0 274.408 2.529 20 0 CFADRP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000177986422 189083668 /nfs/dbraw/zinc/08/36/68/189083668.db2.gz BDXLLIIPYSWFLS-LZWOXQAQSA-N 2 0 276.424 2.822 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000178115061 189091528 /nfs/dbraw/zinc/09/15/28/189091528.db2.gz PEKYWKZORFHKRZ-CQSZACIVSA-N 2 0 286.423 2.783 20 0 CFADRP CCOc1ccc([C@@H]2CCC[N@@H+]2CCC[NH2+]C)cc1 ZINC000435871793 240363565 /nfs/dbraw/zinc/36/35/65/240363565.db2.gz UZRWZATWBWMEEY-INIZCTEOSA-N 2 0 262.397 2.832 20 0 CFADRP C[C@H]([NH2+]CCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000211093103 540757613 /nfs/dbraw/zinc/75/76/13/540757613.db2.gz PESQPEGGNKZUAZ-JTQLQIEISA-N 2 0 252.324 2.649 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000383810839 540771983 /nfs/dbraw/zinc/77/19/83/540771983.db2.gz FBQOBKWMAXGHJE-INIZCTEOSA-N 2 0 282.472 2.734 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000178594459 189129535 /nfs/dbraw/zinc/12/95/35/189129535.db2.gz FPFHVQGZQHRYSZ-WWGRRREGSA-N 2 0 294.414 2.695 20 0 CFADRP COC[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178667743 189135446 /nfs/dbraw/zinc/13/54/46/189135446.db2.gz BUZNOONUBWELHH-LSDHHAIUSA-N 2 0 294.439 2.560 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178667729 189135926 /nfs/dbraw/zinc/13/59/26/189135926.db2.gz BUZNOONUBWELHH-CABCVRRESA-N 2 0 294.439 2.560 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000423462714 283581907 /nfs/dbraw/zinc/58/19/07/283581907.db2.gz DWYMDSRYSLTGDR-QEORTHHSSA-N 2 0 274.408 2.877 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000423460230 283582023 /nfs/dbraw/zinc/58/20/23/283582023.db2.gz MCTSAYWIGZAZPK-HWWQOWPSSA-N 2 0 262.372 2.920 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC[NH2+]C)C12CCCCC2 ZINC000435879500 240364124 /nfs/dbraw/zinc/36/41/24/240364124.db2.gz KNXNLPPVRJUWDZ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1ccc(C[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178973740 189158330 /nfs/dbraw/zinc/15/83/30/189158330.db2.gz QLNXDCNXZPKCBN-INIZCTEOSA-N 2 0 276.399 2.690 20 0 CFADRP [NH3+]CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000414756799 540828480 /nfs/dbraw/zinc/82/84/80/540828480.db2.gz KFYSKRCESCGCGM-ZACQAIPSSA-N 2 0 258.409 2.993 20 0 CFADRP [NH3+]CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000414756798 540828582 /nfs/dbraw/zinc/82/85/82/540828582.db2.gz KFYSKRCESCGCGM-GVDBMIGSSA-N 2 0 258.409 2.993 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2ccccc21 ZINC000423098618 238200229 /nfs/dbraw/zinc/20/02/29/238200229.db2.gz CZEBSLTYNNLAGT-AEFFLSMTSA-N 2 0 292.386 2.840 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414908938 540830402 /nfs/dbraw/zinc/83/04/02/540830402.db2.gz BOWUJNQAEKIJGG-ZIAGYGMSSA-N 2 0 278.444 2.614 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414908966 540830190 /nfs/dbraw/zinc/83/01/90/540830190.db2.gz BQONNPDJNMZNBF-LSDHHAIUSA-N 2 0 288.370 2.575 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)CC1CC[NH2+]CC1 ZINC000178967356 189158062 /nfs/dbraw/zinc/15/80/62/189158062.db2.gz KAFHWPIGIJNQBP-UHFFFAOYSA-N 2 0 290.451 2.567 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414925778 540831461 /nfs/dbraw/zinc/83/14/61/540831461.db2.gz MCYWHMZQVGTSHS-MNOVXSKESA-N 2 0 267.442 2.800 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1SC ZINC000414931985 540831853 /nfs/dbraw/zinc/83/18/53/540831853.db2.gz VDNPVRJHUZFSDL-CHWSQXEVSA-N 2 0 280.437 2.777 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1OC(C)C ZINC000414934738 540831897 /nfs/dbraw/zinc/83/18/97/540831897.db2.gz YDJYISMAXAZPDF-GJZGRUSLSA-N 2 0 292.423 2.842 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000414936644 540831901 /nfs/dbraw/zinc/83/19/01/540831901.db2.gz ZJGAPJUVKBOWSQ-CHWSQXEVSA-N 2 0 256.752 2.839 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423131166 238220248 /nfs/dbraw/zinc/22/02/48/238220248.db2.gz ZKVFXXINLWRUHC-YVSFHVDLSA-N 2 0 274.408 2.624 20 0 CFADRP c1cncc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000179169191 189174709 /nfs/dbraw/zinc/17/47/09/189174709.db2.gz PMKCFRLELARKLE-SJLPKXTDSA-N 2 0 285.435 2.573 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423103634 238202453 /nfs/dbraw/zinc/20/24/53/238202453.db2.gz XRQANEMKDDYZIT-JXFSHQFZSA-N 2 0 262.372 2.789 20 0 CFADRP [NH3+]CCC[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000415078774 540834277 /nfs/dbraw/zinc/83/42/77/540834277.db2.gz GYKMWMBPSMYZJS-UHFFFAOYSA-N 2 0 270.376 2.671 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423111604 238206611 /nfs/dbraw/zinc/20/66/11/238206611.db2.gz QRLPWQGLCFIJEQ-CABCVRRESA-N 2 0 264.438 2.767 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423119117 238209922 /nfs/dbraw/zinc/20/99/22/238209922.db2.gz DGXIABSLQZXAME-WOSRLPQWSA-N 2 0 296.842 2.523 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000423118887 238211088 /nfs/dbraw/zinc/21/10/88/238211088.db2.gz APDHDJPXTYWPLM-CQDKDKBSSA-N 2 0 290.432 2.743 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118230 238211156 /nfs/dbraw/zinc/21/11/56/238211156.db2.gz ZMBOVDNZVQXUOY-KRLXULGHSA-N 2 0 288.435 2.522 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000423138765 238226679 /nfs/dbraw/zinc/22/66/79/238226679.db2.gz TZOXKIABGCPWJB-UONOGXRCSA-N 2 0 260.406 2.913 20 0 CFADRP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC000670262245 540843027 /nfs/dbraw/zinc/84/30/27/540843027.db2.gz NKPABWKGIBDPHR-OAHLLOKOSA-N 2 0 282.472 2.713 20 0 CFADRP CC[N@H+](CCn1ccnc1)[C@@H](C)c1cccc(OC)c1 ZINC000179192805 189176564 /nfs/dbraw/zinc/17/65/64/189176564.db2.gz ISWDDHQBJQMVEN-AWEZNQCLSA-N 2 0 273.380 2.975 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423145008 238230511 /nfs/dbraw/zinc/23/05/11/238230511.db2.gz IPOLGLATYNLKGL-RYUDHWBXSA-N 2 0 292.814 2.741 20 0 CFADRP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000670263702 540844479 /nfs/dbraw/zinc/84/44/79/540844479.db2.gz NWMLPHPAUUTKBJ-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP c1ccc2c(c1)CC[C@H]2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423145251 238230998 /nfs/dbraw/zinc/23/09/98/238230998.db2.gz JUGKMRDWGQQQHZ-PMRDEQMMSA-N 2 0 270.420 2.979 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(COC)c2)[C@H](C)C1 ZINC000179237768 189179975 /nfs/dbraw/zinc/17/99/75/189179975.db2.gz HQFYXBGVABOWGF-CRAIPNDOSA-N 2 0 290.451 2.995 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)(C)C ZINC000670265037 540846206 /nfs/dbraw/zinc/84/62/06/540846206.db2.gz GRVBIBLVRZEQGZ-BRWVUGGUSA-N 2 0 295.515 2.626 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2)c1 ZINC000423154546 238238748 /nfs/dbraw/zinc/23/87/48/238238748.db2.gz JQDVXSCMHPPGEG-JURCDPSOSA-N 2 0 262.397 2.657 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000423131765 238222294 /nfs/dbraw/zinc/22/22/94/238222294.db2.gz OGZJEPRINHFIIP-YMAMQOFZSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)CC(F)(F)F ZINC000423178226 238254729 /nfs/dbraw/zinc/25/47/29/238254729.db2.gz ICOMYHWGPRYUFV-HBNTYKKESA-N 2 0 252.324 2.553 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423178324 238256567 /nfs/dbraw/zinc/25/65/67/238256567.db2.gz BTVORNBJFLQSDT-OKYOBFRVSA-N 2 0 299.462 2.524 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCC[NH3+])sc1Br ZINC000423182134 238258607 /nfs/dbraw/zinc/25/86/07/238258607.db2.gz GLUPZUUCZMYWKX-MRVPVSSYSA-N 2 0 277.231 2.818 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000386990435 540856961 /nfs/dbraw/zinc/85/69/61/540856961.db2.gz UWPOWZLOKMDPMU-WMZOPIPTSA-N 2 0 288.435 2.743 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423159141 238243451 /nfs/dbraw/zinc/24/34/51/238243451.db2.gz OWGNEFVVSKSGIR-SNRMKQJTSA-N 2 0 296.414 2.979 20 0 CFADRP C[C@H]([NH2+]CCOc1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000423165513 238246148 /nfs/dbraw/zinc/24/61/48/238246148.db2.gz YGBKTTBQAITRHL-VIFPVBQESA-N 2 0 289.206 2.570 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423162710 238247282 /nfs/dbraw/zinc/24/72/82/238247282.db2.gz LSZQXZKADTTYDT-DZGCQCFKSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423167992 238248059 /nfs/dbraw/zinc/24/80/59/238248059.db2.gz TVILFWXYGVROHS-BVUBDWEXSA-N 2 0 250.430 2.933 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000670270707 540852058 /nfs/dbraw/zinc/85/20/58/540852058.db2.gz IVYUKAXIVSOHOB-CQSZACIVSA-N 2 0 291.439 2.894 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000423171662 238251112 /nfs/dbraw/zinc/25/11/12/238251112.db2.gz PKVGXQGNBBBKLG-XJKSGUPXSA-N 2 0 275.440 2.857 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423206050 238276783 /nfs/dbraw/zinc/27/67/83/238276783.db2.gz FRDQHDWVSDBFIV-OHFALNGGSA-N 2 0 258.409 2.768 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCSc1ccc(F)cc1)C2 ZINC000380511986 540864738 /nfs/dbraw/zinc/86/47/38/540864738.db2.gz ZPPLSGJQENFUCX-BBRMVZONSA-N 2 0 294.439 2.979 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423226120 238289164 /nfs/dbraw/zinc/28/91/64/238289164.db2.gz PMRVOMNZXJMXKS-XHDPSFHLSA-N 2 0 266.816 2.988 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])C1 ZINC000423225647 238289673 /nfs/dbraw/zinc/28/96/73/238289673.db2.gz NQTNGSZJKOOCPV-RRFJBIMHSA-N 2 0 261.413 2.743 20 0 CFADRP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166291813 540885807 /nfs/dbraw/zinc/88/58/07/540885807.db2.gz LCPQRWFRRXGMRT-IAGOWNOFSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423211645 238281072 /nfs/dbraw/zinc/28/10/72/238281072.db2.gz LATKWVHFNCWRBL-NEPJUHHUSA-N 2 0 264.438 2.887 20 0 CFADRP C[C@H]([NH3+])CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423222548 238286292 /nfs/dbraw/zinc/28/62/92/238286292.db2.gz BOZGMOMRUCWDDH-OWLYRPNTSA-N 2 0 287.451 2.509 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423223304 238287257 /nfs/dbraw/zinc/28/72/57/238287257.db2.gz FVCKSNJOHXGINU-QWHCGFSZSA-N 2 0 272.396 2.569 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000423242072 238302497 /nfs/dbraw/zinc/30/24/97/238302497.db2.gz YGTLSSCDMDXYKZ-VHSXEESVSA-N 2 0 271.202 2.837 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423245012 238303642 /nfs/dbraw/zinc/30/36/42/238303642.db2.gz IJNAKOCGOVRSEQ-GDBMZVCRSA-N 2 0 298.434 2.831 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000423250847 238309157 /nfs/dbraw/zinc/30/91/57/238309157.db2.gz RBGVOVMMYHGELC-MNOVXSKESA-N 2 0 254.324 2.615 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cnn1C(C)C ZINC000423266356 238323150 /nfs/dbraw/zinc/32/31/50/238323150.db2.gz BTTFNXVUKGADTJ-NOLJZWGESA-N 2 0 278.444 2.941 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423253869 238310140 /nfs/dbraw/zinc/31/01/40/238310140.db2.gz WQUBFYFEDMHLFT-NWDGAFQWSA-N 2 0 282.815 2.999 20 0 CFADRP c1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423255083 238312181 /nfs/dbraw/zinc/31/21/81/238312181.db2.gz ASEHMGQBRLDBGU-MAUKXSAKSA-N 2 0 296.418 2.545 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ncc[nH]1 ZINC000353436519 540910691 /nfs/dbraw/zinc/91/06/91/540910691.db2.gz CHEXZHAZVSADNG-RBSFLKMASA-N 2 0 278.444 2.818 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000353439396 540910774 /nfs/dbraw/zinc/91/07/74/540910774.db2.gz XBOJARQFMHEOHA-CHWSQXEVSA-N 2 0 252.406 2.571 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423262262 238318358 /nfs/dbraw/zinc/31/83/58/238318358.db2.gz URTJUTFWTNYCHJ-ZFWWWQNUSA-N 2 0 278.444 2.813 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260810 238318372 /nfs/dbraw/zinc/31/83/72/238318372.db2.gz QTZFLRFBGXBHDX-NWDGAFQWSA-N 2 0 268.426 2.797 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263639 238319022 /nfs/dbraw/zinc/31/90/22/238319022.db2.gz BFUAPGGVRUOQIZ-WBQNTZJQSA-N 2 0 276.424 2.760 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423268874 238325111 /nfs/dbraw/zinc/32/51/11/238325111.db2.gz FEQSEACAAMZBOJ-QJPTWQEYSA-N 2 0 268.426 2.925 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000389204006 540936138 /nfs/dbraw/zinc/93/61/38/540936138.db2.gz AOFAGCOGJFVEHW-ZBFHGGJFSA-N 2 0 262.372 2.887 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)ccc1F ZINC000212768415 540918745 /nfs/dbraw/zinc/91/87/45/540918745.db2.gz LWGAKTLDLWKECX-WCQYABFASA-N 2 0 266.360 2.579 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000423280121 238338993 /nfs/dbraw/zinc/33/89/93/238338993.db2.gz SZUHVXSYLABVAK-SJORKVTESA-N 2 0 260.425 2.889 20 0 CFADRP Cc1cc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(C)n1 ZINC000357680641 540955855 /nfs/dbraw/zinc/95/58/55/540955855.db2.gz MHVMIYPEBJZGMQ-SUMWQHHRSA-N 2 0 284.407 2.619 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358115018 540959429 /nfs/dbraw/zinc/95/94/29/540959429.db2.gz VFVZUXWMRBLAAV-IRXDYDNUSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1C[NH2+]C1 ZINC000423304706 238361709 /nfs/dbraw/zinc/36/17/09/238361709.db2.gz OWFLFPFQCXFXCV-SECBINFHSA-N 2 0 258.818 2.532 20 0 CFADRP C[C@@H]([NH2+]CCc1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000157282442 540946391 /nfs/dbraw/zinc/94/63/91/540946391.db2.gz IUOFMKJUUTTXOV-GFCCVEGCSA-N 2 0 282.378 2.827 20 0 CFADRP CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180105681 189237562 /nfs/dbraw/zinc/23/75/62/189237562.db2.gz GSLYBCKAHPHNOO-CSNJMZFVSA-N 2 0 288.435 2.543 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423325743 238378051 /nfs/dbraw/zinc/37/80/51/238378051.db2.gz LLZQPLTZMYBVGZ-OAHLLOKOSA-N 2 0 260.381 2.544 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423330956 238384450 /nfs/dbraw/zinc/38/44/50/238384450.db2.gz NZVAHXWXVBKEEQ-BBRMVZONSA-N 2 0 262.397 2.736 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)C1CC1 ZINC000423333782 238386349 /nfs/dbraw/zinc/38/63/49/238386349.db2.gz VXLTZUMOAKLHDM-HZPDHXFCSA-N 2 0 278.827 2.988 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC[NH+](C)CC1 ZINC000390699143 540981431 /nfs/dbraw/zinc/98/14/31/540981431.db2.gz SMYRLSQFTXQUDV-DGCLKSJQSA-N 2 0 260.372 2.742 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000157902737 540964001 /nfs/dbraw/zinc/96/40/01/540964001.db2.gz LMKPODFHGYLAGG-KRWDZBQOSA-N 3 0 295.515 2.963 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000157956802 540964741 /nfs/dbraw/zinc/96/47/41/540964741.db2.gz SGNUZWWXEHMDDR-IRXDYDNUSA-N 3 0 295.515 2.818 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000158153359 540967780 /nfs/dbraw/zinc/96/77/80/540967780.db2.gz DPTBRDTUZQEORE-UHFFFAOYSA-N 3 0 295.515 2.963 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CC2)cc1 ZINC000423338295 238391468 /nfs/dbraw/zinc/39/14/68/238391468.db2.gz YRWGSTLDXCYICP-SJORKVTESA-N 2 0 258.409 2.643 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423339503 238391622 /nfs/dbraw/zinc/39/16/22/238391622.db2.gz IWLOSANNXXBSDW-CYBMUJFWSA-N 2 0 276.449 2.849 20 0 CFADRP COCC1(C[NH2+][C@@H](c2ccccc2)C(C)C)CC[NH2+]CC1 ZINC000423409104 238445218 /nfs/dbraw/zinc/44/52/18/238445218.db2.gz PMPQTGQLHYKLPN-QGZVFWFLSA-N 2 0 290.451 2.990 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc2c1C[NH2+]C2 ZINC000423397524 238437565 /nfs/dbraw/zinc/43/75/65/238437565.db2.gz TUMQUTZXYHVPFT-IAGOWNOFSA-N 2 0 256.393 2.958 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000312465684 541034634 /nfs/dbraw/zinc/03/46/34/541034634.db2.gz FAZSBYUJEBLCCQ-OAHLLOKOSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1C(C)C ZINC000423451253 238464017 /nfs/dbraw/zinc/46/40/17/238464017.db2.gz IHDHLXMSMJERIA-VXGBXAGGSA-N 2 0 252.406 2.550 20 0 CFADRP C[C@@H](CN1CCCCC1)[NH2+][C@H]1CCCC12CCOCC2 ZINC000312227333 541030830 /nfs/dbraw/zinc/03/08/30/541030830.db2.gz DNSOYSYIENMUNB-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(F)c2F)C1 ZINC000183226280 189350933 /nfs/dbraw/zinc/35/09/33/189350933.db2.gz MRZFIIBVQTZIKA-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP COCCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184750894 189394663 /nfs/dbraw/zinc/39/46/63/189394663.db2.gz KFYDKWHUHFZRCA-HZPDHXFCSA-N 2 0 290.451 2.769 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000425342412 239005084 /nfs/dbraw/zinc/00/50/84/239005084.db2.gz HENUGJUFWDUZJJ-GJZGRUSLSA-N 2 0 282.428 2.871 20 0 CFADRP CC[N@H+](CCC(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666635681 541125080 /nfs/dbraw/zinc/12/50/80/541125080.db2.gz XFONWMUKUJAYIQ-QWRGUYRKSA-N 2 0 252.324 2.649 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC000666701962 541133620 /nfs/dbraw/zinc/13/36/20/541133620.db2.gz QMMXZZPXRDGMHE-CPUCHLNUSA-N 2 0 292.398 2.667 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000666770408 541142523 /nfs/dbraw/zinc/14/25/23/541142523.db2.gz ZAMIRNQZNLRGLL-KBAYOESNSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@H]1CCC[NH2+]C1 ZINC000666774597 541143100 /nfs/dbraw/zinc/14/31/00/541143100.db2.gz DENWZKXMLVIQOT-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP c1ccc2c(C[NH2+]CC[C@H]3CCC[NH2+]C3)ccnc2c1 ZINC000666792118 541144360 /nfs/dbraw/zinc/14/43/60/541144360.db2.gz KXEQUHPOBQHZFQ-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP c1nc(C2CCC2)sc1CN[C@@H]1CCC[NH2+]CC1 ZINC000666855190 541151830 /nfs/dbraw/zinc/15/18/30/541151830.db2.gz DEKSNPLRZFCQRZ-GFCCVEGCSA-N 2 0 265.426 2.642 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(C2CC2)s1 ZINC000666937667 541163844 /nfs/dbraw/zinc/16/38/44/541163844.db2.gz YSDPPYJCAUYIIY-JTQLQIEISA-N 2 0 253.415 2.628 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc2cnccc21 ZINC000666937641 541164056 /nfs/dbraw/zinc/16/40/56/541164056.db2.gz PRVXUAHAVFJSPE-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950725 541165243 /nfs/dbraw/zinc/16/52/43/541165243.db2.gz CLZLZCSOHVAPNS-INIZCTEOSA-N 2 0 274.408 2.707 20 0 CFADRP Fc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c2ncccc12 ZINC000666952290 541166032 /nfs/dbraw/zinc/16/60/32/541166032.db2.gz OTTGBJWSGSUYBJ-HNNXBMFYSA-N 2 0 285.366 2.606 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666952074 541166062 /nfs/dbraw/zinc/16/60/62/541166062.db2.gz FFJSUVXAEZZFTL-UONOGXRCSA-N 2 0 250.430 2.935 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000666953665 541166703 /nfs/dbraw/zinc/16/67/03/541166703.db2.gz DLKBKTIFCAMVOJ-INIZCTEOSA-N 2 0 286.375 2.673 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955416 541167125 /nfs/dbraw/zinc/16/71/25/541167125.db2.gz IGQJPQYHMCZEFH-AWEZNQCLSA-N 2 0 294.826 2.970 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000666954703 541167298 /nfs/dbraw/zinc/16/72/98/541167298.db2.gz ZKDWNSMTLGDPSI-ZBFHGGJFSA-N 2 0 258.409 2.597 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)C[NH+](C)C ZINC000425932114 239139063 /nfs/dbraw/zinc/13/90/63/239139063.db2.gz OQUXANQMDMGIEE-MLGOLLRUSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1ccc(F)cc1)C[NH+](C)C ZINC000425941336 239139519 /nfs/dbraw/zinc/13/95/19/239139519.db2.gz JUYOSFDYZKLHHG-ZIAGYGMSSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C[C@H]1C[NH3+] ZINC000667040056 541178507 /nfs/dbraw/zinc/17/85/07/541178507.db2.gz WUHDHFWPUONJSP-SUMWQHHRSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H](C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C(C)(C)C ZINC000667042279 541178686 /nfs/dbraw/zinc/17/86/86/541178686.db2.gz SEMMHZQSRLFWQR-FVQBIDKESA-N 2 0 282.472 2.887 20 0 CFADRP C[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C[NH+](C)C ZINC000425923215 239136036 /nfs/dbraw/zinc/13/60/36/239136036.db2.gz NTFCONMERWQLBN-NUJGCVRESA-N 2 0 290.451 2.942 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427142665 239286566 /nfs/dbraw/zinc/28/65/66/239286566.db2.gz FLDYDQUFVGONDN-PVAVHDDUSA-N 2 0 258.409 2.549 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427142662 239287787 /nfs/dbraw/zinc/28/77/87/239287787.db2.gz FLDYDQUFVGONDN-DJIMGWMZSA-N 2 0 258.409 2.549 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667759042 541306410 /nfs/dbraw/zinc/30/64/10/541306410.db2.gz XKKLGIIMQTVYOS-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP C(CC[NH2+][C@H]1CO[C@@H](C2CC2)C1)CC[NH+]1CCCCC1 ZINC000667838645 541326163 /nfs/dbraw/zinc/32/61/63/541326163.db2.gz ZHZAKVURGVNRGJ-IAGOWNOFSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667912971 541341213 /nfs/dbraw/zinc/34/12/13/541341213.db2.gz TWJRFDNIWRPADM-DJIMGWMZSA-N 2 0 280.456 2.512 20 0 CFADRP c1nc2n(c1C[N@H+]1CC[C@H](COc3ccccc3)C1)CCC2 ZINC000667959009 541353093 /nfs/dbraw/zinc/35/30/93/541353093.db2.gz BEOISGGGYWMVHN-HNNXBMFYSA-N 2 0 297.402 2.730 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667961852 541354083 /nfs/dbraw/zinc/35/40/83/541354083.db2.gz ZJVINFPUXABBAC-DNMXQMFDSA-N 2 0 292.467 2.797 20 0 CFADRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCC1 ZINC000322264606 541361640 /nfs/dbraw/zinc/36/16/40/541361640.db2.gz IGHIWKPKEOABTM-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000433065401 240091439 /nfs/dbraw/zinc/09/14/39/240091439.db2.gz CLGROIUGQVRQHO-ZOBUZTSGSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000435374450 240305202 /nfs/dbraw/zinc/30/52/02/240305202.db2.gz XJBHQPVETLRYMD-STQMWFEESA-N 2 0 288.395 2.537 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623155 240330611 /nfs/dbraw/zinc/33/06/11/240330611.db2.gz UECXVIFPRQOZIX-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](Cc1ccc(OCC(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435434223 240316079 /nfs/dbraw/zinc/31/60/79/240316079.db2.gz WRDYWUYKOWSLOL-AWEZNQCLSA-N 2 0 298.377 2.904 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000438186088 240647221 /nfs/dbraw/zinc/64/72/21/240647221.db2.gz DSSJPPAEDUPNCQ-KRWDZBQOSA-N 2 0 282.472 2.761 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCCCC1 ZINC000442867209 241009091 /nfs/dbraw/zinc/00/90/91/241009091.db2.gz KTEACPFVHTYBOD-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442924699 241022111 /nfs/dbraw/zinc/02/21/11/241022111.db2.gz SSKFZDJHBROYPN-WBVHZDCISA-N 2 0 260.425 2.926 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CCC[NH+]2CCCCC2)C[C@H]1C ZINC000444615624 241153537 /nfs/dbraw/zinc/15/35/37/241153537.db2.gz ALKSWHWDYCJFSI-SJORKVTESA-N 3 0 281.488 2.667 20 0 CFADRP CCc1nc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000446887672 241336611 /nfs/dbraw/zinc/33/66/11/241336611.db2.gz XCUVSPOEUJBTLK-UHFFFAOYSA-N 2 0 279.453 2.670 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000447599224 241391651 /nfs/dbraw/zinc/39/16/51/241391651.db2.gz JMILBNNWZWOKNY-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449338968 241858432 /nfs/dbraw/zinc/85/84/32/241858432.db2.gz TUMIKDASSZVXCI-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000449527390 242006182 /nfs/dbraw/zinc/00/61/82/242006182.db2.gz HZLGFXMDQNWZAV-UHFFFAOYSA-N 2 0 274.412 2.773 20 0 CFADRP Cc1cccc2ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)n21 ZINC000449527558 242007798 /nfs/dbraw/zinc/00/77/98/242007798.db2.gz JIWNRQPIPCVYSK-UHFFFAOYSA-N 2 0 288.439 2.853 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H](C)O ZINC000449544678 242016276 /nfs/dbraw/zinc/01/62/76/242016276.db2.gz RGHKDIPWMGJXMF-RDJZCZTQSA-N 2 0 292.467 2.894 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000449551621 242022735 /nfs/dbraw/zinc/02/27/35/242022735.db2.gz GNZJNLQGVGLCPK-CVEARBPZSA-N 2 0 276.399 2.893 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CN1C1CC1 ZINC000449735008 242125068 /nfs/dbraw/zinc/12/50/68/242125068.db2.gz FOCQDQMVFWCAQL-UONOGXRCSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C2(C)CC2)CC1 ZINC000449666198 242097799 /nfs/dbraw/zinc/09/77/99/242097799.db2.gz DGSLUPSLNHBRDB-UHFFFAOYSA-N 2 0 282.391 2.998 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2CCCF)CCC[NH2+]C1 ZINC000423328345 291391491 /nfs/dbraw/zinc/39/14/91/291391491.db2.gz DMAKWVZUBPNEAF-KKUMJFAQSA-N 2 0 256.409 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(C)(C)C)C[C@H]1C ZINC000674909503 541605537 /nfs/dbraw/zinc/60/55/37/541605537.db2.gz QLQRZGJAPCXVMR-HUUCEWRRSA-N 2 0 270.461 2.996 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCOC(C)(C)C)C1 ZINC000674909806 541605848 /nfs/dbraw/zinc/60/58/48/541605848.db2.gz SUOGZBWRUOUCOP-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450284776 242341801 /nfs/dbraw/zinc/34/18/01/242341801.db2.gz KUWRCBQOQWZEBR-UHFFFAOYSA-N 2 0 260.372 2.695 20 0 CFADRP CCc1cc(NC[C@H](c2ccccc2OC)[NH+](C)C)cc[nH+]1 ZINC000450217042 242310612 /nfs/dbraw/zinc/31/06/12/242310612.db2.gz SCBPFUHOQGGSHD-QGZVFWFLSA-N 2 0 299.418 2.789 20 0 CFADRP CCc1cc(N(C)C2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC000450236652 242318348 /nfs/dbraw/zinc/31/83/48/242318348.db2.gz DRGJWWHOXNGEJP-UHFFFAOYSA-N 2 0 261.413 2.953 20 0 CFADRP CCc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000450260188 242327734 /nfs/dbraw/zinc/32/77/34/242327734.db2.gz IVWFJJFPZSEIQR-MRXNPFEDSA-N 2 0 259.397 2.709 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423382926 299378420 /nfs/dbraw/zinc/37/84/20/299378420.db2.gz KAZNTDROCUYLQI-IACUBPJLSA-N 2 0 279.403 2.812 20 0 CFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422753182 296116687 /nfs/dbraw/zinc/11/66/87/296116687.db2.gz FTKRBZNXMIWUOA-BZUAXINKSA-N 2 0 281.488 2.617 20 0 CFADRP COCC[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267968784 541653089 /nfs/dbraw/zinc/65/30/89/541653089.db2.gz BAGLPZJBWTWBNJ-SJLPKXTDSA-N 2 0 290.451 2.865 20 0 CFADRP CCN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccoc1 ZINC000675494363 541661976 /nfs/dbraw/zinc/66/19/76/541661976.db2.gz QLBYXWLQXCZCSV-HNNXBMFYSA-N 2 0 250.386 2.976 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000423063398 296120148 /nfs/dbraw/zinc/12/01/48/296120148.db2.gz WJGDPHNDEUXURZ-LLVKDONJSA-N 2 0 298.352 2.935 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000423407945 299388361 /nfs/dbraw/zinc/38/83/61/299388361.db2.gz WQHBKLIXQZCWGK-NTZNESFSSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnccn1 ZINC000247143913 296122281 /nfs/dbraw/zinc/12/22/81/296122281.db2.gz SNKODJLPWMMKQG-BZUAXINKSA-N 2 0 290.455 2.885 20 0 CFADRP C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)C1CC[NH+](C)CC1 ZINC000675737060 541686173 /nfs/dbraw/zinc/68/61/73/541686173.db2.gz XFFFGSNUGRAAAW-CZUORRHYSA-N 2 0 295.496 2.671 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCCC2)[C@@H](C)C1 ZINC000675724636 541684836 /nfs/dbraw/zinc/68/48/36/541684836.db2.gz GZHWEXLGERCSOA-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1F ZINC000675811750 541697499 /nfs/dbraw/zinc/69/74/99/541697499.db2.gz HRPZTCNVSKUJPI-ZDUSSCGKSA-N 2 0 294.414 2.697 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cn1 ZINC000675874398 541700713 /nfs/dbraw/zinc/70/07/13/541700713.db2.gz QLCXTXNTMFRJMG-KGLIPLIRSA-N 2 0 278.444 2.845 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675875919 541701581 /nfs/dbraw/zinc/70/15/81/541701581.db2.gz UUSKNSYFNDEOKH-SJORKVTESA-N 2 0 293.499 2.879 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c2nccn21 ZINC000453070037 243388467 /nfs/dbraw/zinc/38/84/67/243388467.db2.gz ZTLSBQZFCYTJGW-OAGGEKHMSA-N 2 0 290.455 2.991 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453405402 243559189 /nfs/dbraw/zinc/55/91/89/243559189.db2.gz QMJWMMTYFPMYQE-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2cccs2)CC1 ZINC000675935042 541710699 /nfs/dbraw/zinc/71/06/99/541710699.db2.gz GHSNMVONACDPIG-CQSZACIVSA-N 2 0 296.480 2.504 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000230221222 189808082 /nfs/dbraw/zinc/80/80/82/189808082.db2.gz OMZWAZFHYHHDLJ-GJZGRUSLSA-N 2 0 270.461 2.686 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1C ZINC000161817175 541787471 /nfs/dbraw/zinc/78/74/71/541787471.db2.gz CIMPOFYMPAEVSK-CQSZACIVSA-N 2 0 276.424 2.824 20 0 CFADRP C1=CC[C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000676901870 541804271 /nfs/dbraw/zinc/80/42/71/541804271.db2.gz LJESOISBVBDTDI-NVXWUHKLSA-N 2 0 278.440 2.576 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459300531 245129110 /nfs/dbraw/zinc/12/91/10/245129110.db2.gz KJOIAWSJOQVXEJ-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC(C)OC1CC([N@H+](C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000459364067 245158143 /nfs/dbraw/zinc/15/81/43/245158143.db2.gz VOZKSOQJIMDDCM-QQFBHYJXSA-N 2 0 268.445 2.749 20 0 CFADRP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000459497431 245199117 /nfs/dbraw/zinc/19/91/17/245199117.db2.gz JJMIIOXTWALQCO-NSHDSACASA-N 2 0 287.329 2.838 20 0 CFADRP CCc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000459663674 245261676 /nfs/dbraw/zinc/26/16/76/245261676.db2.gz XRHOLZTZPZOVAK-UHFFFAOYSA-N 2 0 266.348 2.582 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000459730475 245290184 /nfs/dbraw/zinc/29/01/84/245290184.db2.gz KENHULJXACRONQ-LBPRGKRZSA-N 2 0 279.453 2.842 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(F)cccc2F)C1 ZINC000459734841 245293874 /nfs/dbraw/zinc/29/38/74/245293874.db2.gz OPMHDVIDNJAREH-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000459743921 245297946 /nfs/dbraw/zinc/29/79/46/245297946.db2.gz XFWDJUJHAGRUDP-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459741962 245299317 /nfs/dbraw/zinc/29/93/17/245299317.db2.gz VOFIBGQQQRPCJW-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000459794370 245329618 /nfs/dbraw/zinc/32/96/18/245329618.db2.gz UNMLEUONONHRON-GJZGRUSLSA-N 2 0 297.446 2.957 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000459794884 245329675 /nfs/dbraw/zinc/32/96/75/245329675.db2.gz UVQXLVBTEYDETO-INIZCTEOSA-N 2 0 298.434 2.694 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000462807614 245391321 /nfs/dbraw/zinc/39/13/21/245391321.db2.gz YGFGOKDDKBQRJO-RHSMWYFYSA-N 2 0 258.409 2.802 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000011889296 371934808 /nfs/dbraw/zinc/93/48/08/371934808.db2.gz UHIYSVVIYBSPOZ-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2ccccc2C)C1 ZINC000011888845 371933976 /nfs/dbraw/zinc/93/39/76/371933976.db2.gz ZZRJXNQZUCPZCD-MRXNPFEDSA-N 2 0 260.425 2.859 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CCSC1)Cc1ccccc1 ZINC000019913215 372207756 /nfs/dbraw/zinc/20/77/56/372207756.db2.gz JLFIEPFDVVMAAC-HNNXBMFYSA-N 2 0 264.438 2.604 20 0 CFADRP CCC[NH+]1CCC(NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000020143127 372234100 /nfs/dbraw/zinc/23/41/00/372234100.db2.gz CACLDKMOEPRPSR-UHFFFAOYSA-N 2 0 281.488 2.760 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCN(C)c2ccccc2)CC1 ZINC000019906506 372206445 /nfs/dbraw/zinc/20/64/45/372206445.db2.gz UQXNNXIHKGFZBJ-UHFFFAOYSA-N 2 0 275.440 2.587 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000034991708 372524634 /nfs/dbraw/zinc/52/46/34/372524634.db2.gz OCCKOPSFDBDRQN-UHFFFAOYSA-N 2 0 286.423 2.550 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000036907865 372609713 /nfs/dbraw/zinc/60/97/13/372609713.db2.gz KLLIDNHPTHHTSB-JMSVASOKSA-N 2 0 250.361 2.644 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000036908681 372610279 /nfs/dbraw/zinc/61/02/79/372610279.db2.gz ZNPGIWLEHAUWCO-DVOMOZLQSA-N 2 0 264.388 2.687 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037643736 372678194 /nfs/dbraw/zinc/67/81/94/372678194.db2.gz VCRZDLREYXRBRL-ZDUSSCGKSA-N 2 0 252.789 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)C1 ZINC000037644597 372681530 /nfs/dbraw/zinc/68/15/30/372681530.db2.gz VYIORWXQRWPHKA-UONOGXRCSA-N 2 0 274.408 2.614 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000037644132 372681609 /nfs/dbraw/zinc/68/16/09/372681609.db2.gz MANVNZRKAOYAQM-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccco2)C1 ZINC000037644326 372682665 /nfs/dbraw/zinc/68/26/65/372682665.db2.gz YXMXCZVFFNLNKH-KBPBESRZSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649165 372684139 /nfs/dbraw/zinc/68/41/39/372684139.db2.gz KRXPSWXPVIRZRW-HOCLYGCPSA-N 2 0 288.435 2.787 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649127 372685224 /nfs/dbraw/zinc/68/52/24/372685224.db2.gz XFTGRWUFZQXSRF-UONOGXRCSA-N 2 0 274.408 2.830 20 0 CFADRP CCOc1cc(C[NH2+]CCCC[NH3+])ccc1OC(F)F ZINC000037714601 372691209 /nfs/dbraw/zinc/69/12/09/372691209.db2.gz XZPTVQXHPFSWLP-UHFFFAOYSA-N 2 0 288.338 2.515 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(Br)c1 ZINC000037714763 372691254 /nfs/dbraw/zinc/69/12/54/372691254.db2.gz PIEBXQRFLZCXTH-SNVBAGLBSA-N 2 0 271.202 2.839 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000037714975 372691675 /nfs/dbraw/zinc/69/16/75/372691675.db2.gz BLSQNNQDECKYLA-CYBMUJFWSA-N 2 0 250.386 2.865 20 0 CFADRP C[C@@H](O)C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422880602 296189571 /nfs/dbraw/zinc/18/95/71/296189571.db2.gz XAEWXFMXKJSHOB-JOKDJRIQSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571344600 383686252 /nfs/dbraw/zinc/68/62/52/383686252.db2.gz VLVDLMIWANPXCH-CABCVRRESA-N 3 0 286.423 2.594 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000044529173 373005127 /nfs/dbraw/zinc/00/51/27/373005127.db2.gz FEVJEFWVGSPEBK-LBPRGKRZSA-N 2 0 273.355 2.545 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663361 373026387 /nfs/dbraw/zinc/02/63/87/373026387.db2.gz YQULYOFNLYSJKG-CYBMUJFWSA-N 2 0 280.412 2.696 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000050343568 373369390 /nfs/dbraw/zinc/36/93/90/373369390.db2.gz GXHYRLRKYIFOHD-NWDGAFQWSA-N 2 0 250.411 2.883 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000051756216 373409110 /nfs/dbraw/zinc/40/91/10/373409110.db2.gz OJOCZSBHDIWALF-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000063158797 373789046 /nfs/dbraw/zinc/78/90/46/373789046.db2.gz HOLNPSXIDBTTQJ-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP Fc1ccc(F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197481 373795640 /nfs/dbraw/zinc/79/56/40/373795640.db2.gz HCXIVAQWFZHDKP-INIZCTEOSA-N 2 0 280.362 2.929 20 0 CFADRP COc1ccc(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199755 373797085 /nfs/dbraw/zinc/79/70/85/373797085.db2.gz DMOXFLPIOJQLCD-SFHVURJKSA-N 2 0 288.435 2.702 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074159 374122028 /nfs/dbraw/zinc/12/20/28/374122028.db2.gz GYFYGDJCHMGOLJ-GFCCVEGCSA-N 2 0 282.815 2.909 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000070171852 374138000 /nfs/dbraw/zinc/13/80/00/374138000.db2.gz KQUUMYFXXJNIEI-DGCLKSJQSA-N 2 0 252.427 2.924 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000070174435 374141152 /nfs/dbraw/zinc/14/11/52/374141152.db2.gz LGGABZWIFUDTKV-STQMWFEESA-N 2 0 282.815 2.778 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000070174198 374141822 /nfs/dbraw/zinc/14/18/22/374141822.db2.gz BAEURWVHXHALOB-CHWSQXEVSA-N 2 0 282.815 2.778 20 0 CFADRP FC(F)[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677734593 541899270 /nfs/dbraw/zinc/89/92/70/541899270.db2.gz XTEXPFWWFOILPJ-ZLLARURESA-N 2 0 294.336 2.717 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070984089 374210022 /nfs/dbraw/zinc/21/00/22/374210022.db2.gz ACYCELSHOBRBGB-HNNXBMFYSA-N 2 0 262.397 2.789 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070534419 374189743 /nfs/dbraw/zinc/18/97/43/374189743.db2.gz VGUWEYFHNQKGIC-AWEZNQCLSA-N 2 0 262.397 2.646 20 0 CFADRP C[C@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)C[NH+](C)C ZINC000491595429 246085301 /nfs/dbraw/zinc/08/53/01/246085301.db2.gz ZYIWOTRGESMVII-LLVKDONJSA-N 2 0 263.360 2.594 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C[NH+](C)C ZINC000491542365 246078633 /nfs/dbraw/zinc/07/86/33/246078633.db2.gz CVOYGEDLCVOYBC-BFYDXBDKSA-N 2 0 275.440 2.895 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCc2sccc2C1 ZINC000678075445 541947791 /nfs/dbraw/zinc/94/77/91/541947791.db2.gz CQUKDSOIJXJIKP-AWEZNQCLSA-N 2 0 264.438 2.981 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000076458496 374552464 /nfs/dbraw/zinc/55/24/64/374552464.db2.gz IZNBSICASUDTCW-CQSZACIVSA-N 2 0 266.816 2.814 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccoc2)cc1 ZINC000678210685 541971677 /nfs/dbraw/zinc/97/16/77/541971677.db2.gz RVNNJVLBQKLEDU-UHFFFAOYSA-N 2 0 288.391 2.852 20 0 CFADRP CC1(C)Cc2cccc(C[NH+]3CCC(C[NH3+])CC3)c2O1 ZINC000080509983 374658956 /nfs/dbraw/zinc/65/89/56/374658956.db2.gz MDKWAUBUKMVDQL-UHFFFAOYSA-N 2 0 274.408 2.571 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510072 374659226 /nfs/dbraw/zinc/65/92/26/374659226.db2.gz OQHNLHCJKZWABD-UKRRQHHQSA-N 2 0 288.435 2.959 20 0 CFADRP Cc1ncc(CN[C@H](C)c2c(F)cccc2F)n1C ZINC000571537153 383703980 /nfs/dbraw/zinc/70/39/80/383703980.db2.gz DEEAIKXKILOONN-SECBINFHSA-N 2 0 265.307 2.858 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000089150615 374874826 /nfs/dbraw/zinc/87/48/26/374874826.db2.gz YKFYSRMGJKGVDE-DGCLKSJQSA-N 2 0 272.314 2.922 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089146287 374875421 /nfs/dbraw/zinc/87/54/21/374875421.db2.gz MKHWNCNKICGUOA-XNRPHZJLSA-N 2 0 264.388 2.864 20 0 CFADRP CCn1cncc1C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000090169773 374995335 /nfs/dbraw/zinc/99/53/35/374995335.db2.gz IRSWZPFRILCPQE-CQSZACIVSA-N 2 0 266.433 2.503 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)[C@H](C)C1 ZINC000090217824 375004127 /nfs/dbraw/zinc/00/41/27/375004127.db2.gz RBCCUISPCZNWQV-LTIDMASMSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000093062754 375182216 /nfs/dbraw/zinc/18/22/16/375182216.db2.gz ZZVSQNRTZSGCLY-CQSZACIVSA-N 2 0 264.413 2.763 20 0 CFADRP Cc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088640 375185126 /nfs/dbraw/zinc/18/51/26/375185126.db2.gz RIXHVIJJUJWQJP-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3=CCCOC3)C2)CC1 ZINC000092587808 375126933 /nfs/dbraw/zinc/12/69/33/375126933.db2.gz UDNRDQDFCHQDRH-QGZVFWFLSA-N 2 0 292.467 2.777 20 0 CFADRP c1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093453117 375244396 /nfs/dbraw/zinc/24/43/96/375244396.db2.gz FCWUILBQHODWKD-KURKYZTESA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000093496740 375254144 /nfs/dbraw/zinc/25/41/44/375254144.db2.gz PRXVVLFRLSHQBQ-IAGOWNOFSA-N 2 0 281.488 2.763 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000093496640 375254472 /nfs/dbraw/zinc/25/44/72/375254472.db2.gz WMANBQWLGMDZNR-HIFRSBDPSA-N 2 0 290.407 2.816 20 0 CFADRP C[N@H+](Cc1ccc(OC(F)F)cc1)CC(C)(C)C[NH3+] ZINC000093872990 375325273 /nfs/dbraw/zinc/32/52/73/375325273.db2.gz MMXQTEXTZYCXJL-UHFFFAOYSA-N 2 0 272.339 2.705 20 0 CFADRP C[N@H+](CCSc1ccccc1)CC(C)(C)C[NH3+] ZINC000093874213 375328235 /nfs/dbraw/zinc/32/82/35/375328235.db2.gz MENOHHXTHUMRLN-UHFFFAOYSA-N 2 0 252.427 2.695 20 0 CFADRP COc1cccc([C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861139 375324104 /nfs/dbraw/zinc/32/41/04/375324104.db2.gz UKBLHQRHZKUASC-LBPRGKRZSA-N 2 0 250.386 2.673 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093513888 375261689 /nfs/dbraw/zinc/26/16/89/375261689.db2.gz WFRWLIDYYKZGQV-DOTOQJQBSA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)COCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093513540 375261717 /nfs/dbraw/zinc/26/17/17/375261717.db2.gz XLRCKNGIKUVEGE-JKSUJKDBSA-N 2 0 270.461 2.950 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093513887 375262195 /nfs/dbraw/zinc/26/21/95/375262195.db2.gz WFRWLIDYYKZGQV-WBVHZDCISA-N 2 0 281.488 2.761 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000093515344 375262416 /nfs/dbraw/zinc/26/24/16/375262416.db2.gz PCRCQFUHMFTOOU-IJEWVQPXSA-N 2 0 290.455 2.698 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nccs1 ZINC000093516443 375264037 /nfs/dbraw/zinc/26/40/37/375264037.db2.gz PNFBHJSMNAYHAK-CHWSQXEVSA-N 2 0 267.442 2.586 20 0 CFADRP Cc1cc(F)ccc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000094011083 375335159 /nfs/dbraw/zinc/33/51/59/375335159.db2.gz SXKMNAHXOFCVCF-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP COc1ccc(C[N@H+](C)CC2CC[NH2+]CC2)cc1Cl ZINC000094010761 375335361 /nfs/dbraw/zinc/33/53/61/375335361.db2.gz JBYBXGKMUXPMTB-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000094010628 375335431 /nfs/dbraw/zinc/33/54/31/375335431.db2.gz GZGCMGZWPCAGES-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP C[N@@H+](Cc1cc(F)c(F)c(F)c1)CC1CC[NH2+]CC1 ZINC000094010824 375335621 /nfs/dbraw/zinc/33/56/21/375335621.db2.gz FYPDZIFHKRWSIP-UHFFFAOYSA-N 2 0 272.314 2.535 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094070046 375338741 /nfs/dbraw/zinc/33/87/41/375338741.db2.gz PDUPHPUMUBDIOR-GJZGRUSLSA-N 2 0 268.445 2.643 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000094692742 375372712 /nfs/dbraw/zinc/37/27/12/375372712.db2.gz GIVASZCZSOTEAE-AWEZNQCLSA-N 2 0 284.403 2.890 20 0 CFADRP COC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507488867 247176048 /nfs/dbraw/zinc/17/60/48/247176048.db2.gz VRFDOZPRDNXIHY-BZZMCLGOSA-N 2 0 288.435 2.522 20 0 CFADRP C[C@H]1C[C@H](CC[NH2+]Cc2cc[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000513544784 247223395 /nfs/dbraw/zinc/22/33/95/247223395.db2.gz MIGZDKBAOVGSOV-RDJZCZTQSA-N 2 0 298.434 2.800 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000513697343 247225160 /nfs/dbraw/zinc/22/51/60/247225160.db2.gz MNUBRQNDNWWEPR-KURKYZTESA-N 2 0 288.435 2.836 20 0 CFADRP COc1cccc([C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000104131613 375768731 /nfs/dbraw/zinc/76/87/31/375768731.db2.gz WEMSPKGKBUCTCX-CHWSQXEVSA-N 2 0 262.397 2.815 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000104139195 375768783 /nfs/dbraw/zinc/76/87/83/375768783.db2.gz JDZRQKNLIVFNIH-GFCCVEGCSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000104139192 375768954 /nfs/dbraw/zinc/76/89/54/375768954.db2.gz JDZRQKNLIVFNIH-LBPRGKRZSA-N 2 0 282.815 2.778 20 0 CFADRP Cn1ccnc1CC1CC[NH+](CC2CCCC2)CC1 ZINC000105876558 375792834 /nfs/dbraw/zinc/79/28/34/375792834.db2.gz XQVJSIBTFPCGNB-UHFFFAOYSA-N 2 0 261.413 2.865 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)c2c(C)noc2C)CC1 ZINC000678774965 542068644 /nfs/dbraw/zinc/06/86/44/542068644.db2.gz VIIIQWLZKBEONM-LBPRGKRZSA-N 2 0 279.428 2.859 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1 ZINC000678774166 542067556 /nfs/dbraw/zinc/06/75/56/542067556.db2.gz FNDJAHWVCQRQFN-HZPDHXFCSA-N 2 0 268.445 2.654 20 0 CFADRP COCCN1CCC([NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000119424361 376412433 /nfs/dbraw/zinc/41/24/33/376412433.db2.gz JFUCBSWQYARNFI-INIZCTEOSA-N 2 0 294.464 2.900 20 0 CFADRP Cc1cc(NC(=O)NCCC[NH+]2CCCCCC2)ccn1 ZINC000119297573 376389505 /nfs/dbraw/zinc/38/95/05/376389505.db2.gz ZEDCLZJJOTYERB-UHFFFAOYSA-N 2 0 290.411 2.778 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000120495612 376627175 /nfs/dbraw/zinc/62/71/75/376627175.db2.gz BJVZKNMTZYHMOW-BZPMIXESSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@H]1C[C@H](NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000120762469 376686517 /nfs/dbraw/zinc/68/65/17/376686517.db2.gz MMRPEJJBTLCKKP-JKSUJKDBSA-N 2 0 281.488 2.713 20 0 CFADRP C(CN1CCCCCC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121101666 376761016 /nfs/dbraw/zinc/76/10/16/376761016.db2.gz QZUPQDYKSUDMCE-BBWFWOEESA-N 2 0 292.467 2.800 20 0 CFADRP CCN(C)CC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000121175535 376775455 /nfs/dbraw/zinc/77/54/55/376775455.db2.gz XLZJMUFHJATLHD-KRWDZBQOSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000679090636 542119827 /nfs/dbraw/zinc/11/98/27/542119827.db2.gz FRTRLSZNBWETOS-DJIMGWMZSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCCO1 ZINC000679092672 542119861 /nfs/dbraw/zinc/11/98/61/542119861.db2.gz QQUDUBWGXZYRJP-RHSMWYFYSA-N 2 0 280.456 2.941 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000123199728 376950073 /nfs/dbraw/zinc/95/00/73/376950073.db2.gz SSVWJXPJJGVYEQ-IAGOWNOFSA-N 2 0 280.456 2.941 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000124370555 377042848 /nfs/dbraw/zinc/04/28/48/377042848.db2.gz DWXPQPPHQWQGHE-INIZCTEOSA-N 2 0 287.451 2.813 20 0 CFADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1CCOCC1 ZINC000126023759 377208467 /nfs/dbraw/zinc/20/84/67/377208467.db2.gz NIKLEZREIFLLRY-UKRRQHHQSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000126390338 377225830 /nfs/dbraw/zinc/22/58/30/377225830.db2.gz VSBQVUZQFODWHL-DLBZAZTESA-N 2 0 284.407 2.624 20 0 CFADRP CC(C)[C@@H]([NH3+])CCN(C)Cc1nc(-c2ccccc2)no1 ZINC000128489273 377340916 /nfs/dbraw/zinc/34/09/16/377340916.db2.gz MTBKDRXBFCQPHN-AWEZNQCLSA-N 2 0 288.395 2.542 20 0 CFADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccccc1Cl ZINC000128485870 377341003 /nfs/dbraw/zinc/34/10/03/377341003.db2.gz INCUYUCTZLHQEE-ZDUSSCGKSA-N 2 0 297.830 2.584 20 0 CFADRP Cc1ccc(NC(=O)CN(C)CC[C@H]([NH3+])C(C)C)cc1C ZINC000128495977 377341815 /nfs/dbraw/zinc/34/18/15/377341815.db2.gz WGQNKFBXHDVLJL-INIZCTEOSA-N 2 0 291.439 2.547 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000129514931 377438410 /nfs/dbraw/zinc/43/84/10/377438410.db2.gz YMLNJQOMGHMMBH-UKRRQHHQSA-N 2 0 271.408 2.783 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000129527284 377441023 /nfs/dbraw/zinc/44/10/23/377441023.db2.gz FAUZPVQRIQCHMR-DOMZBBRYSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000129527484 377441260 /nfs/dbraw/zinc/44/12/60/377441260.db2.gz FAUZPVQRIQCHMR-WFASDCNBSA-N 2 0 266.816 2.955 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129544354 377443845 /nfs/dbraw/zinc/44/38/45/377443845.db2.gz DBCJBCQUSNDYPA-KFWWJZLASA-N 2 0 292.423 2.535 20 0 CFADRP CCCn1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000129214659 377400095 /nfs/dbraw/zinc/40/00/95/377400095.db2.gz FUAVPYAZKWYMBI-KRWDZBQOSA-N 2 0 290.455 2.743 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130167300 377519281 /nfs/dbraw/zinc/51/92/81/377519281.db2.gz YLLOWSDIZDAYTP-MGPQQGTHSA-N 2 0 264.438 2.896 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cccc(O)c1 ZINC000130642767 377587429 /nfs/dbraw/zinc/58/74/29/377587429.db2.gz IXEVLXAXQSODBJ-OBJOEFQTSA-N 2 0 260.381 2.668 20 0 CFADRP C[C@H]([NH2+]CC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131115951 377660987 /nfs/dbraw/zinc/66/09/87/377660987.db2.gz QOMLSRRJRTZKGC-ZDUSSCGKSA-N 2 0 262.397 2.688 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000131335077 377696230 /nfs/dbraw/zinc/69/62/30/377696230.db2.gz JXBMJYUWCXAMOG-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000131560676 377728742 /nfs/dbraw/zinc/72/87/42/377728742.db2.gz WWYTUHUFCQGPGX-NWDGAFQWSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000131608105 377735701 /nfs/dbraw/zinc/73/57/01/377735701.db2.gz WAZCJLVUHUELMR-CMPLNLGQSA-N 2 0 288.313 2.754 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131940768 377782582 /nfs/dbraw/zinc/78/25/82/377782582.db2.gz PDUPONAGTCAVJD-HZPDHXFCSA-N 2 0 262.397 2.784 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132454720 377842691 /nfs/dbraw/zinc/84/26/91/377842691.db2.gz WLPROQYBPGOYNN-AEFFLSMTSA-N 2 0 289.467 2.833 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000133038075 377897351 /nfs/dbraw/zinc/89/73/51/377897351.db2.gz IHCOMRASFSLENJ-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CC(F)(F)C1 ZINC000529540553 383726742 /nfs/dbraw/zinc/72/67/42/383726742.db2.gz FGJIYHDTXJPHJU-DRZSPHRISA-N 2 0 260.372 2.883 20 0 CFADRP c1csc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000135217504 378099284 /nfs/dbraw/zinc/09/92/84/378099284.db2.gz OEHFMXVRJZKVQF-TZMCWYRMSA-N 2 0 277.437 2.592 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150828819 378274278 /nfs/dbraw/zinc/27/42/78/378274278.db2.gz PFIPYVIVGZUGBM-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP C[C@@H]([NH2+]Cc1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151076457 378291398 /nfs/dbraw/zinc/29/13/98/378291398.db2.gz ZPVNWLIZLZYCJD-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1cc(Cl)cc2cccnc21 ZINC000571799501 383728073 /nfs/dbraw/zinc/72/80/73/383728073.db2.gz HKZBLHQAJMJFEL-UHFFFAOYSA-N 2 0 263.772 2.669 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)CN1Cc1ccccc1 ZINC000151319637 378315748 /nfs/dbraw/zinc/31/57/48/378315748.db2.gz SDDPEABETLCILJ-NVXWUHKLSA-N 2 0 283.419 2.778 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000151940281 378375776 /nfs/dbraw/zinc/37/57/76/378375776.db2.gz BJMLARHRSSGNRG-KBPBESRZSA-N 2 0 264.413 2.729 20 0 CFADRP CCCCc1ccc([C@H](C)NC[C@H](O)C[NH+](C)C)cc1 ZINC000154258678 378552591 /nfs/dbraw/zinc/55/25/91/378552591.db2.gz ZJFSXEPAELJJSH-YOEHRIQHSA-N 2 0 278.440 2.602 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154411477 378564327 /nfs/dbraw/zinc/56/43/27/378564327.db2.gz JDJDYOFIGLPAOC-KRWDZBQOSA-N 3 0 281.488 2.525 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154632186 378586046 /nfs/dbraw/zinc/58/60/46/378586046.db2.gz DHAXVGJSFWPPAF-NJAFHUGGSA-N 2 0 293.499 2.713 20 0 CFADRP CCc1cc(NCCN2Cc3ccccc3C2)nc(C)n1 ZINC000679836477 542240394 /nfs/dbraw/zinc/24/03/94/542240394.db2.gz HVXWPMDKWDWYOT-UHFFFAOYSA-N 2 0 282.391 2.775 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278423927 193976808 /nfs/dbraw/zinc/97/68/08/193976808.db2.gz IWHDPZNCAAVNTQ-CQSZACIVSA-N 2 0 273.424 2.915 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000159196596 378692598 /nfs/dbraw/zinc/69/25/98/378692598.db2.gz JXLIBCGJDWIAPY-CQSZACIVSA-N 2 0 294.414 2.977 20 0 CFADRP Fc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1F ZINC000278487413 194007744 /nfs/dbraw/zinc/00/77/44/194007744.db2.gz KSTRYUXAOAFDFT-UHFFFAOYSA-N 2 0 280.362 2.929 20 0 CFADRP Cc1nc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCCCC2)no1 ZINC000333649678 378841791 /nfs/dbraw/zinc/84/17/91/378841791.db2.gz JOQBOCGFTHMNLC-AWEZNQCLSA-N 2 0 292.427 2.517 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841732 284728175 /nfs/dbraw/zinc/72/81/75/284728175.db2.gz WSWUAPFUIFGSRU-VXLLPVPCSA-N 3 0 281.488 2.747 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163244285 378960431 /nfs/dbraw/zinc/96/04/31/378960431.db2.gz KRGWQLJMIASWIT-UKRRQHHQSA-N 2 0 262.397 2.643 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000163269622 378962291 /nfs/dbraw/zinc/96/22/91/378962291.db2.gz VLZVUSAQPYLKDL-DZGCQCFKSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000163797090 378991631 /nfs/dbraw/zinc/99/16/31/378991631.db2.gz BZUGKTKPKYDQCB-KBPBESRZSA-N 2 0 280.387 2.511 20 0 CFADRP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335271195 378999599 /nfs/dbraw/zinc/99/95/99/378999599.db2.gz YVOVNPZXSNFVMO-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@H]2CCn3ccnc3C2)c(F)c1 ZINC000335278079 379014479 /nfs/dbraw/zinc/01/44/79/379014479.db2.gz LNTPHVOQGWURHW-NSHDSACASA-N 2 0 277.318 2.574 20 0 CFADRP COc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000335279513 379017554 /nfs/dbraw/zinc/01/75/54/379017554.db2.gz QABCRNFSXRVTKW-AWEZNQCLSA-N 2 0 274.408 2.659 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000166037705 379049951 /nfs/dbraw/zinc/04/99/51/379049951.db2.gz LHEQCCJWTDSCSG-CJNGLKHVSA-N 2 0 282.403 2.833 20 0 CFADRP C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000168589699 379092461 /nfs/dbraw/zinc/09/24/61/379092461.db2.gz KAHZEDYQVMITIW-OUAUKWLOSA-N 2 0 252.324 2.647 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(C(N)=O)c2)CC1 ZINC000334330259 379104895 /nfs/dbraw/zinc/10/48/95/379104895.db2.gz OJCCTLBIOBLPFR-UHFFFAOYSA-N 2 0 287.407 2.630 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278729063 194127142 /nfs/dbraw/zinc/12/71/42/194127142.db2.gz UESSFASNPNQSJQ-UHFFFAOYSA-N 2 0 281.347 2.593 20 0 CFADRP C[C@]1([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCOC1 ZINC000334367722 379169258 /nfs/dbraw/zinc/16/92/58/379169258.db2.gz RKHRLCZMQBKFOC-KRWDZBQOSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1nn(C(C)C)cc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334423077 379270670 /nfs/dbraw/zinc/27/06/70/379270670.db2.gz FDZMHXANJHFAGQ-QGZVFWFLSA-N 2 0 290.455 2.690 20 0 CFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCCO)CC1 ZINC000171384302 379295197 /nfs/dbraw/zinc/29/51/97/379295197.db2.gz BWOGPTYPOXLLNX-UHFFFAOYSA-N 2 0 290.451 2.603 20 0 CFADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335517398 379438302 /nfs/dbraw/zinc/43/83/02/379438302.db2.gz KAZOYGAIOMWNLZ-NHYWBVRUSA-N 2 0 264.800 2.917 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000335522504 379447254 /nfs/dbraw/zinc/44/72/54/379447254.db2.gz VUKBPGZCHSAZGU-WBMJQRKESA-N 2 0 262.372 2.792 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc2cccnc2o1 ZINC000335578249 379544688 /nfs/dbraw/zinc/54/46/88/379544688.db2.gz FFEQDQSQAXUINJ-SWLSCSKDSA-N 2 0 273.380 2.600 20 0 CFADRP Brc1ccccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000335562354 379516235 /nfs/dbraw/zinc/51/62/35/379516235.db2.gz SWAKRYOFKOKYCI-UHFFFAOYSA-N 2 0 295.224 2.777 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000334616472 379632236 /nfs/dbraw/zinc/63/22/36/379632236.db2.gz PLCGFOKUVXIRNS-IAGOWNOFSA-N 2 0 273.424 2.515 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335634060 379633792 /nfs/dbraw/zinc/63/37/92/379633792.db2.gz LXRYAELSLQIOBS-STQMWFEESA-N 2 0 250.411 2.570 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1nc2c(s1)CCC2 ZINC000335641030 379646723 /nfs/dbraw/zinc/64/67/23/379646723.db2.gz QAHGUHNHANHCJZ-WHXUTIOJSA-N 2 0 265.426 2.552 20 0 CFADRP Fc1cc(F)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000335684772 379719087 /nfs/dbraw/zinc/71/90/87/379719087.db2.gz QFQLZBGTASJRAY-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccccc2)CC1 ZINC000173319640 379726232 /nfs/dbraw/zinc/72/62/32/379726232.db2.gz DNVAJALOZCPFCA-QGZVFWFLSA-N 2 0 289.467 2.755 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC(C)(C)C1 ZINC000334673376 379745835 /nfs/dbraw/zinc/74/58/35/379745835.db2.gz VCDRMEUPUZHNNT-UHFFFAOYSA-N 2 0 270.380 2.808 20 0 CFADRP CCC[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OCC ZINC000529637181 383739689 /nfs/dbraw/zinc/73/96/89/383739689.db2.gz OWAHPGXKEJCDTO-KRWDZBQOSA-N 2 0 291.439 2.845 20 0 CFADRP CSCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405132 379879288 /nfs/dbraw/zinc/87/92/88/379879288.db2.gz GVBFLZXNNNDBSS-INIZCTEOSA-N 2 0 278.465 2.803 20 0 CFADRP C[C@H]1C[C@H](NCc2csc(-c3ccco3)n2)CC[N@@H+]1C ZINC000174515311 379901216 /nfs/dbraw/zinc/90/12/16/379901216.db2.gz LIKSPENJVVRNTO-NWDGAFQWSA-N 2 0 291.420 2.975 20 0 CFADRP c1cc(C[NH2+][C@H]2CCCC23CCOCC3)cc2c1C[NH2+]C2 ZINC000335063443 379965355 /nfs/dbraw/zinc/96/53/55/379965355.db2.gz PTCHIJCKVMCJRV-KRWDZBQOSA-N 2 0 286.419 2.729 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000334852848 379931839 /nfs/dbraw/zinc/93/18/39/379931839.db2.gz BBZOYEWQTBLKCE-SAGYGOJTSA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998185 379952436 /nfs/dbraw/zinc/95/24/36/379952436.db2.gz LSRQIUXRRXZDBF-HZMBPMFUSA-N 2 0 250.773 2.608 20 0 CFADRP CC1CC([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335033218 379959242 /nfs/dbraw/zinc/95/92/42/379959242.db2.gz PLXLMDNFMBKUIR-IDQHFDBOSA-N 2 0 272.392 2.630 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335213469 380018400 /nfs/dbraw/zinc/01/84/00/380018400.db2.gz BHOGZFZUNCCAAY-ZFWWWQNUSA-N 2 0 278.371 2.771 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335217364 380023827 /nfs/dbraw/zinc/02/38/27/380023827.db2.gz MNEUWQPENWFICH-RHSMWYFYSA-N 2 0 274.408 2.804 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335222186 380031476 /nfs/dbraw/zinc/03/14/76/380031476.db2.gz XPDNOVMAJQCWFA-HZPDHXFCSA-N 2 0 269.392 2.984 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335252978 380086995 /nfs/dbraw/zinc/08/69/95/380086995.db2.gz UQORGQSVXWQAGP-CQSZACIVSA-N 2 0 297.240 2.989 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335908080 380087993 /nfs/dbraw/zinc/08/79/93/380087993.db2.gz BCUUNXUPKILJHZ-NWDGAFQWSA-N 2 0 282.790 2.563 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335227622 380042270 /nfs/dbraw/zinc/04/22/70/380042270.db2.gz PFDQUPJJBLFYKA-KOLCDFICSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C\c2ccccc2)CCCO1 ZINC000432364091 383742631 /nfs/dbraw/zinc/74/26/31/383742631.db2.gz ZIXQJJGZOONQSI-OCKNTNFFSA-N 2 0 288.435 2.790 20 0 CFADRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)CC1 ZINC000335993546 380209544 /nfs/dbraw/zinc/20/95/44/380209544.db2.gz UZSIVXCPLLBXRN-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CCC(C)(C)C3)CC2)CC1 ZINC000335996410 380212662 /nfs/dbraw/zinc/21/26/62/380212662.db2.gz HPBHHPMMJGSCLT-MRXNPFEDSA-N 3 0 293.499 2.713 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177212930 380317260 /nfs/dbraw/zinc/31/72/60/380317260.db2.gz MXFCRMGRNQZAEN-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000249979752 284825478 /nfs/dbraw/zinc/82/54/78/284825478.db2.gz QXVHTEFZUSGZRH-OKZBNKHCSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000178231152 380425310 /nfs/dbraw/zinc/42/53/10/380425310.db2.gz QJGRLJNQYJOGBN-KPGMEVQCSA-N 2 0 287.407 2.566 20 0 CFADRP C[C@H]([NH2+]C1CCN(C)CC1)c1ccc2ccccc2n1 ZINC000178392311 380447697 /nfs/dbraw/zinc/44/76/97/380447697.db2.gz HYOLUGSUABHEMQ-ZDUSSCGKSA-N 2 0 269.392 2.980 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000178400113 380448721 /nfs/dbraw/zinc/44/87/21/380448721.db2.gz WOPAGGZWVYVFBW-DOMZBBRYSA-N 2 0 280.460 2.746 20 0 CFADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CCOc3ccc(F)cc32)[C@H](C)C1 ZINC000178097445 380409514 /nfs/dbraw/zinc/40/95/14/380409514.db2.gz MTJIQZDRBABJBJ-DAXOMENPSA-N 2 0 292.398 2.969 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]CC2CC[NH2+]CC2)sc1C ZINC000178982859 380498346 /nfs/dbraw/zinc/49/83/46/380498346.db2.gz OJPSFIKFSKAHCO-UHFFFAOYSA-N 2 0 267.442 2.584 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1Cl ZINC000336583441 380502763 /nfs/dbraw/zinc/50/27/63/380502763.db2.gz GQONHWRCDATHSC-WCQYABFASA-N 2 0 252.789 2.818 20 0 CFADRP COCCC[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179468607 380547283 /nfs/dbraw/zinc/54/72/83/380547283.db2.gz GSYCYSDRPCQYQO-HNNXBMFYSA-N 2 0 291.439 2.703 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654648 380584419 /nfs/dbraw/zinc/58/44/19/380584419.db2.gz DQUSTIIOXCTWGW-RYRKJORJSA-N 3 0 289.467 2.614 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000252177294 296311275 /nfs/dbraw/zinc/31/12/75/296311275.db2.gz PGGRGEZIRGBTFW-TVFCKZIOSA-N 2 0 293.499 2.761 20 0 CFADRP COC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000180199439 380632339 /nfs/dbraw/zinc/63/23/39/380632339.db2.gz POEKQBWIWFLBTP-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000336792907 380639943 /nfs/dbraw/zinc/63/99/43/380639943.db2.gz URTRQRZYGHBDOZ-ZDUSSCGKSA-N 2 0 250.386 2.692 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336677676 380588009 /nfs/dbraw/zinc/58/80/09/380588009.db2.gz AAEWGLPGNONKFK-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000336685138 380592435 /nfs/dbraw/zinc/59/24/35/380592435.db2.gz KMEZSGPTVIXNNM-QMMMGPOBSA-N 2 0 277.231 2.728 20 0 CFADRP CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336695164 380595743 /nfs/dbraw/zinc/59/57/43/380595743.db2.gz ACIOSWUPINMRGO-SJORKVTESA-N 2 0 258.409 2.850 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000336718194 380610396 /nfs/dbraw/zinc/61/03/96/380610396.db2.gz REBWBNQDOHVZNX-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP CC[NH+](CC)CCCNc1cc[nH+]c(C)c1Cl ZINC000336726183 380616752 /nfs/dbraw/zinc/61/67/52/380616752.db2.gz VHNWZLHWGJHGBA-UHFFFAOYSA-N 2 0 255.793 2.609 20 0 CFADRP COC(C)(C)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336805648 380663274 /nfs/dbraw/zinc/66/32/74/380663274.db2.gz KIGSMDPKHCCODP-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000180464888 380664820 /nfs/dbraw/zinc/66/48/20/380664820.db2.gz KDNSBZOAYFTFGM-PBHICJAKSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000336811205 380671952 /nfs/dbraw/zinc/67/19/52/380671952.db2.gz LOKJGYGLXUFAIZ-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCN(C)c1ccccc1 ZINC000336812636 380673384 /nfs/dbraw/zinc/67/33/84/380673384.db2.gz ATHYMLHNMBUCOA-OAHLLOKOSA-N 2 0 263.429 2.620 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc2cccnc21 ZINC000336814685 380675855 /nfs/dbraw/zinc/67/58/55/380675855.db2.gz GDXFQIHDYPCBAF-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000336818102 380681311 /nfs/dbraw/zinc/68/13/11/380681311.db2.gz UBMHPYSDHNRVKQ-HNNXBMFYSA-N 3 0 269.477 2.748 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C12CCCC2 ZINC000336818749 380682225 /nfs/dbraw/zinc/68/22/25/380682225.db2.gz WWTHNZLZJHKAEW-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP COC1(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CCC1 ZINC000181088596 380736956 /nfs/dbraw/zinc/73/69/56/380736956.db2.gz BFOXDMISCFJUTQ-WBVHZDCISA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346857550 296313261 /nfs/dbraw/zinc/31/32/61/296313261.db2.gz WWGFQUPGESMHCZ-KZNAEPCWSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000295339087 380797327 /nfs/dbraw/zinc/79/73/27/380797327.db2.gz HVYQXOILRDZTFB-WFASDCNBSA-N 2 0 264.438 2.589 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1csc(C)c1 ZINC000295384890 380821632 /nfs/dbraw/zinc/82/16/32/380821632.db2.gz KUJWIYXGTNEARS-AWEZNQCLSA-N 2 0 270.442 2.503 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000287557678 380866096 /nfs/dbraw/zinc/86/60/96/380866096.db2.gz QACTXHBCMQHEPA-IAGOWNOFSA-N 2 0 273.424 2.539 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400750303 380866572 /nfs/dbraw/zinc/86/65/72/380866572.db2.gz VJHJZPGLLJHVTJ-SUHUHFCYSA-N 2 0 252.427 2.718 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347003998 380869179 /nfs/dbraw/zinc/86/91/79/380869179.db2.gz APMBBIPKFHBKDH-HOCLYGCPSA-N 2 0 298.434 2.740 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000347004024 380869438 /nfs/dbraw/zinc/86/94/38/380869438.db2.gz MPVWDDDWKBJVGC-CQSZACIVSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1cccc(CCC[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000287474974 380839852 /nfs/dbraw/zinc/83/98/52/380839852.db2.gz MOBSBMVYRQPFEH-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP c1cn(CCC[N@@H+]2CCC[C@@H]2c2cccnc2)cn1 ZINC000346984672 380847179 /nfs/dbraw/zinc/84/71/79/380847179.db2.gz PDASCHCMSWAYRI-OAHLLOKOSA-N 2 0 256.353 2.505 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000358456189 380857239 /nfs/dbraw/zinc/85/72/39/380857239.db2.gz AWHKYMWEWCWILM-UIBIWLFHSA-N 2 0 293.499 2.569 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)[C@H](C)C1 ZINC000353798064 380858592 /nfs/dbraw/zinc/85/85/92/380858592.db2.gz SYYWPUHPKRFDCG-FPCVCCKLSA-N 2 0 268.445 2.512 20 0 CFADRP c1ccc(COC[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000347016807 380882042 /nfs/dbraw/zinc/88/20/42/380882042.db2.gz YWOHNERFFXAQJH-ZWKOTPCHSA-N 2 0 288.435 2.525 20 0 CFADRP c1ccc(COC[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000347016805 380882987 /nfs/dbraw/zinc/88/29/87/380882987.db2.gz YWOHNERFFXAQJH-QZTJIDSGSA-N 2 0 288.435 2.525 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000402549350 380887926 /nfs/dbraw/zinc/88/79/26/380887926.db2.gz JKCDFJHXPZYYJJ-VWYCJHECSA-N 2 0 252.324 2.695 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCC(=O)OC(C)(C)C)CC1 ZINC000341275800 380891617 /nfs/dbraw/zinc/89/16/17/380891617.db2.gz KMDDKJFKDCZMKR-UHFFFAOYSA-N 2 0 284.444 2.571 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347032450 380892551 /nfs/dbraw/zinc/89/25/51/380892551.db2.gz DUUHUMUFKUSJRZ-VYDXJSESSA-N 2 0 260.425 2.924 20 0 CFADRP C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC[NH2+]CC1 ZINC000347034401 380894010 /nfs/dbraw/zinc/89/40/10/380894010.db2.gz FZBUQODYLBERAH-UHFFFAOYSA-N 2 0 281.403 2.932 20 0 CFADRP C[N@H+]1C[C@H]2CN(c3ccnc4c(Cl)cccc34)C[C@H]2C1 ZINC000287665217 380902785 /nfs/dbraw/zinc/90/27/85/380902785.db2.gz IPUNETOLJUKQTQ-TXEJJXNPSA-N 2 0 287.794 2.886 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000347056444 380911033 /nfs/dbraw/zinc/91/10/33/380911033.db2.gz VGVAIZIMLDUUGI-RHSMWYFYSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347056382 380911335 /nfs/dbraw/zinc/91/13/35/380911335.db2.gz UTZISIVNOLFHBZ-KTFSGNIMSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347071533 380920961 /nfs/dbraw/zinc/92/09/61/380920961.db2.gz QFQHFVKXSCGFJC-HNNXBMFYSA-N 2 0 267.376 2.529 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000353917613 380953807 /nfs/dbraw/zinc/95/38/07/380953807.db2.gz RPNAEBXDVFGOTD-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP C(C1CC1)[NH+]1CCCC2(CCC[N@@H+](CC3CC3)C2)C1 ZINC000368243855 380968771 /nfs/dbraw/zinc/96/87/71/380968771.db2.gz QTMBMEVQHKXRHI-UHFFFAOYSA-N 2 0 262.441 2.984 20 0 CFADRP CC(C)[NH+](CC1(C[N@@H+](C(C)C)C2CC2)COC1)C1CC1 ZINC000182061280 380978066 /nfs/dbraw/zinc/97/80/66/380978066.db2.gz WTDZQSTUSVYOIR-UHFFFAOYSA-N 2 0 280.456 2.749 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H]2CCC[C@H]21 ZINC000353948471 380978880 /nfs/dbraw/zinc/97/88/80/380978880.db2.gz UZEQHPHADKIPDN-YESZJQIVSA-N 2 0 299.462 2.966 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000411549645 381031822 /nfs/dbraw/zinc/03/18/22/381031822.db2.gz HXBUPHBZXDUDEG-CVEARBPZSA-N 2 0 282.472 2.782 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000353989182 381004742 /nfs/dbraw/zinc/00/47/42/381004742.db2.gz ZXBJOCNZLFPBBZ-MNOVXSKESA-N 2 0 262.319 2.545 20 0 CFADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000368388816 381008082 /nfs/dbraw/zinc/00/80/82/381008082.db2.gz SZSQMNZVPKCIFM-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1nccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000288236988 381008703 /nfs/dbraw/zinc/00/87/03/381008703.db2.gz NVQQGENQMBCBFL-CZUORRHYSA-N 2 0 282.391 2.860 20 0 CFADRP CC[C@H](C)[N@H+](CCCc1cnccc1C)CC(=O)OC ZINC000289604205 381063438 /nfs/dbraw/zinc/06/34/38/381063438.db2.gz JEWGQHOYIHHPCW-AWEZNQCLSA-N 2 0 278.396 2.596 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1O ZINC000347322198 381068464 /nfs/dbraw/zinc/06/84/64/381068464.db2.gz ZDODOSBYUYLPPK-DLBZAZTESA-N 2 0 288.435 2.768 20 0 CFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)C ZINC000182259504 381042403 /nfs/dbraw/zinc/04/24/03/381042403.db2.gz DZJKRFZONICBBO-ROUUACIJSA-N 2 0 290.451 2.777 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182264639 381044703 /nfs/dbraw/zinc/04/47/03/381044703.db2.gz UGVAVEXDNLRNHP-DAYGRLMNSA-N 2 0 290.451 2.777 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000347362385 381098763 /nfs/dbraw/zinc/09/87/63/381098763.db2.gz XTJJUAYXJYYKNS-FIDHJVLJSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@H]([NH2+]CCc1ccncc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289686037 381104635 /nfs/dbraw/zinc/10/46/35/381104635.db2.gz ZSWANSDSEKFQGG-RDJZCZTQSA-N 2 0 287.451 2.867 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000289692630 381106510 /nfs/dbraw/zinc/10/65/10/381106510.db2.gz FAQVERQXSMERTM-SZMVWBNQSA-N 2 0 290.451 2.772 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)[C@H](C)O1 ZINC000295836834 381107889 /nfs/dbraw/zinc/10/78/89/381107889.db2.gz ZFDXAGUOALLVJD-WBOSRHFRSA-N 2 0 288.435 2.805 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182601468 381118120 /nfs/dbraw/zinc/11/81/20/381118120.db2.gz YIFUTBYEQGRCNI-AWEZNQCLSA-N 2 0 298.471 2.961 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354166497 381118560 /nfs/dbraw/zinc/11/85/60/381118560.db2.gz LMZHWYBUJRSJQH-AEFFLSMTSA-N 2 0 294.483 2.857 20 0 CFADRP C[N@H+](CC[C@H]1CCCCO1)CC[C@H]1CCCC[NH+]1C ZINC000347433109 381147911 /nfs/dbraw/zinc/14/79/11/381147911.db2.gz GNSBPRDIQYAZRG-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP C[N@H+](CC[C@@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000347433105 381148397 /nfs/dbraw/zinc/14/83/97/381148397.db2.gz GNSBPRDIQYAZRG-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CSCC[N@@H+]1CCC2(C1)CC[NH+](CCSC)CC2 ZINC000368771236 381130188 /nfs/dbraw/zinc/13/01/88/381130188.db2.gz WUPNLCNIPYUPMT-UHFFFAOYSA-N 2 0 288.526 2.500 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCC(C)CC1 ZINC000359014032 381216810 /nfs/dbraw/zinc/21/68/10/381216810.db2.gz KJLLJECDWPRCAK-ILZRDFNYSA-N 2 0 282.472 2.900 20 0 CFADRP CC1CCC([NH+]2CCC([N@H+](C)CCCCO)CC2)CC1 ZINC000369005039 381176785 /nfs/dbraw/zinc/17/67/85/381176785.db2.gz RQYGNMLQOXEDQW-UHFFFAOYSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000182958074 381190934 /nfs/dbraw/zinc/19/09/34/381190934.db2.gz GYTNXHWGLLDTCR-MSOLQXFVSA-N 2 0 293.499 2.526 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000354310483 381196563 /nfs/dbraw/zinc/19/65/63/381196563.db2.gz CQHXPTSFUUCQMS-BDXSIMOUSA-N 2 0 296.499 2.884 20 0 CFADRP C[Si](C)(C)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000369176716 381205751 /nfs/dbraw/zinc/20/57/51/381205751.db2.gz LLRPAZGFZUQZOP-UHFFFAOYSA-N 2 0 254.494 2.860 20 0 CFADRP CC[C@H]1CCC[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000183073907 381210079 /nfs/dbraw/zinc/21/00/79/381210079.db2.gz IREHFDNOGKBXBK-DLBZAZTESA-N 2 0 296.499 2.981 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369420396 381255676 /nfs/dbraw/zinc/25/56/76/381255676.db2.gz UTDASMRIVWPTAG-OKZBNKHCSA-N 2 0 294.483 2.999 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000359038221 381227716 /nfs/dbraw/zinc/22/77/16/381227716.db2.gz RCRKECDZBZLTCI-CGTJXYLNSA-N 2 0 290.451 2.564 20 0 CFADRP CC(C)[C@@H](C)[N@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347582833 381236113 /nfs/dbraw/zinc/23/61/13/381236113.db2.gz INWOPGOFJPSCTO-LLVKDONJSA-N 2 0 255.431 2.681 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000359221737 381294649 /nfs/dbraw/zinc/29/46/49/381294649.db2.gz XRQMTAHVGKOMND-RHSMWYFYSA-N 2 0 282.472 2.543 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290091983 381296058 /nfs/dbraw/zinc/29/60/58/381296058.db2.gz HLXOCVGKINBGEO-ILXRZTDVSA-N 2 0 294.439 2.701 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000183676429 381304740 /nfs/dbraw/zinc/30/47/40/381304740.db2.gz IONNNUPXGVGGDB-GJZGRUSLSA-N 2 0 298.471 2.961 20 0 CFADRP CCC[N@@H+](Cc1ncc(CN(C)C)s1)CC1CC1 ZINC000347655920 381280448 /nfs/dbraw/zinc/28/04/48/381280448.db2.gz RXQWVONGLNHEPC-UHFFFAOYSA-N 2 0 267.442 2.827 20 0 CFADRP Cc1ccc(C[C@@H]2CCC[N@H+]2CCc2cncn2C)cc1 ZINC000290066969 381283854 /nfs/dbraw/zinc/28/38/54/381283854.db2.gz PSORKWUITLOOOH-KRWDZBQOSA-N 2 0 283.419 2.978 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1CC1(C)C ZINC000342412827 381317898 /nfs/dbraw/zinc/31/78/98/381317898.db2.gz HHGDPZMVBIHEMB-ZFWWWQNUSA-N 2 0 291.439 2.546 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC=CO2)CCN1Cc1ccccc1 ZINC000290279783 381367861 /nfs/dbraw/zinc/36/78/61/381367861.db2.gz YZNKIOAOWOLKSX-KBAYOESNSA-N 2 0 286.419 2.932 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C(C)(C)C ZINC000290313037 381379565 /nfs/dbraw/zinc/37/95/65/381379565.db2.gz NTPBVTPYBTTYDR-CQSZACIVSA-N 2 0 293.455 2.936 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296395232 381375511 /nfs/dbraw/zinc/37/55/11/381375511.db2.gz LFQJQDIECIEAKD-QWHCGFSZSA-N 2 0 282.378 3.000 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000296467965 381408441 /nfs/dbraw/zinc/40/84/41/381408441.db2.gz NPFXYMODLORGBR-ZMSDIMECSA-N 2 0 275.440 2.641 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1C ZINC000290390486 381410501 /nfs/dbraw/zinc/41/05/01/381410501.db2.gz ISLLPTXSYYTURK-IAGOWNOFSA-N 2 0 288.435 2.920 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccsc2)C1 ZINC000290406006 381417551 /nfs/dbraw/zinc/41/75/51/381417551.db2.gz JTJHHCSNZCTRAY-UONOGXRCSA-N 2 0 250.411 2.664 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000296418291 381387208 /nfs/dbraw/zinc/38/72/08/381387208.db2.gz MJZRFTUHYRLRML-ZBFHGGJFSA-N 2 0 289.423 2.642 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296421420 381389245 /nfs/dbraw/zinc/38/92/45/381389245.db2.gz LKBDOWHKMSIQEJ-FRKNIRMPSA-N 2 0 288.435 2.977 20 0 CFADRP CSC1(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000347872980 381393690 /nfs/dbraw/zinc/39/36/90/381393690.db2.gz IOKFSSIJYIQOBM-CQSZACIVSA-N 2 0 268.470 2.546 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2CCCC2)[C@@H](C)C1 ZINC000354673845 381398767 /nfs/dbraw/zinc/39/87/67/381398767.db2.gz NQKGRBLEDGVLHB-XIRDDKMYSA-N 2 0 282.472 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)[C@H](C)C1 ZINC000354675675 381398827 /nfs/dbraw/zinc/39/88/27/381398827.db2.gz OUFPASKRGRUAFC-HYVNUMGLSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000290430461 381427140 /nfs/dbraw/zinc/42/71/40/381427140.db2.gz LGPJCTZQAMIKSX-HIFRSBDPSA-N 2 0 264.438 2.973 20 0 CFADRP CCc1cc(NCC[N@H+](C)C2CC2)c2ccccc2[nH+]1 ZINC000359479615 381427530 /nfs/dbraw/zinc/42/75/30/381427530.db2.gz IIBGECRSNIWKNJ-UHFFFAOYSA-N 2 0 269.392 2.725 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)CC[C@H](O)c2ccccc2)CCN1C ZINC000290444659 381430753 /nfs/dbraw/zinc/43/07/53/381430753.db2.gz VTRDHLZGBCGWEW-OIISXLGYSA-N 2 0 276.424 2.525 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H](O)c2ccccc2)CCN1C ZINC000290444663 381431634 /nfs/dbraw/zinc/43/16/34/381431634.db2.gz VTRDHLZGBCGWEW-PVAVHDDUSA-N 2 0 276.424 2.525 20 0 CFADRP Cc1oncc1C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000370406373 381443632 /nfs/dbraw/zinc/44/36/32/381443632.db2.gz MYCOLHHXIUOTLW-UHFFFAOYSA-N 2 0 291.439 2.927 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000342633090 381445576 /nfs/dbraw/zinc/44/55/76/381445576.db2.gz WYMOEKFUDHSBPH-HNNXBMFYSA-N 2 0 283.504 2.817 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000370494703 381457059 /nfs/dbraw/zinc/45/70/59/381457059.db2.gz IVWTVRPSGBWPJM-GOSISDBHSA-N 3 0 293.499 2.857 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccco2)C1 ZINC000370494458 381457412 /nfs/dbraw/zinc/45/74/12/381457412.db2.gz DWTORBRVAZGLGE-GJZGRUSLSA-N 2 0 262.397 2.943 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)O1 ZINC000296587021 381461342 /nfs/dbraw/zinc/46/13/42/381461342.db2.gz XHYIZAQOJVKBTA-XUJVJEKNSA-N 2 0 289.354 2.667 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000290572557 381484614 /nfs/dbraw/zinc/48/46/14/381484614.db2.gz TYLHDZIUCGZUBE-RCCFBDPRSA-N 2 0 270.420 2.787 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1ccnc1C ZINC000348322852 381506548 /nfs/dbraw/zinc/50/65/48/381506548.db2.gz VWVQHEJSFDLDBV-IAGOWNOFSA-N 2 0 292.471 2.682 20 0 CFADRP CC(C)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332391 381512342 /nfs/dbraw/zinc/51/23/42/381512342.db2.gz TWGDPZXTAJKTOQ-IRXDYDNUSA-N 2 0 258.409 2.706 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@H]2CCC[C@H]21 ZINC000348340824 381517264 /nfs/dbraw/zinc/51/72/64/381517264.db2.gz YAEIEKRRIRDIHQ-HZSPNIEDSA-N 2 0 254.393 2.731 20 0 CFADRP CCC1(C[NH2+]C2COC2)CC[NH+](Cc2ccccc2)CC1 ZINC000370673482 381487918 /nfs/dbraw/zinc/48/79/18/381487918.db2.gz NHNGIBQWTNTYCR-UHFFFAOYSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000348304690 381493261 /nfs/dbraw/zinc/49/32/61/381493261.db2.gz OEWKCIBNHYILBT-TUKIKUTGSA-N 2 0 298.377 2.931 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)C/C=C/c1ccccc1 ZINC000290610966 381496915 /nfs/dbraw/zinc/49/69/15/381496915.db2.gz WNJIPIKNBBNDIQ-LEJBJHNTSA-N 2 0 258.409 2.972 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2=Cc3ccccc3OC2)C1 ZINC000290622433 381501789 /nfs/dbraw/zinc/50/17/89/381501789.db2.gz XKFWXOYTLHZMLS-ZWKOTPCHSA-N 2 0 298.430 2.879 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000348385334 381545263 /nfs/dbraw/zinc/54/52/63/381545263.db2.gz WJEHNFLNOGPKCE-BSWAZPDLSA-N 2 0 280.456 2.533 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000359678956 381551301 /nfs/dbraw/zinc/55/13/01/381551301.db2.gz OOSCGYZMWKUYSF-KRWDZBQOSA-N 2 0 278.440 2.899 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414051009 381556681 /nfs/dbraw/zinc/55/66/81/381556681.db2.gz IOPLKELPHVLUBH-KGLIPLIRSA-N 2 0 266.433 2.581 20 0 CFADRP C[C@H]1CC[C@@H]([N@H+](C)Cc2ncc(CN(C)C)s2)C1 ZINC000348416998 381560955 /nfs/dbraw/zinc/56/09/55/381560955.db2.gz XSSGZZBGTHLKEA-NWDGAFQWSA-N 2 0 267.442 2.825 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000414118892 381562538 /nfs/dbraw/zinc/56/25/38/381562538.db2.gz BWWADQGENQNYSN-TZMCWYRMSA-N 2 0 264.413 2.852 20 0 CFADRP COC1(C[NH2+]CC2(C[NH+](C)C)CCCC2)CCCC1 ZINC000359700438 381565504 /nfs/dbraw/zinc/56/55/04/381565504.db2.gz OLCKCTOZSSQZIK-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C[C@@H]1C ZINC000414843422 381607611 /nfs/dbraw/zinc/60/76/11/381607611.db2.gz OAQRLXJASJBCKD-RRFJBIMHSA-N 2 0 296.455 2.606 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000414698605 381599327 /nfs/dbraw/zinc/59/93/27/381599327.db2.gz SBFKIJYBECVLRH-ZWKOTPCHSA-N 2 0 295.515 2.948 20 0 CFADRP C[C@H](C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000414713337 381599452 /nfs/dbraw/zinc/59/94/52/381599452.db2.gz OWIGDOWUZCLMDJ-JHJVBQTASA-N 2 0 267.442 2.567 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C12CCC2 ZINC000414714365 381601071 /nfs/dbraw/zinc/60/10/71/381601071.db2.gz VIOVDAXXBUDURC-XUWVNRHRSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)CC[NH2+]1 ZINC000414753816 381603091 /nfs/dbraw/zinc/60/30/91/381603091.db2.gz FFKTVPUIHJDVDT-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP COc1cc2c(cc1F)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414756815 381605434 /nfs/dbraw/zinc/60/54/34/381605434.db2.gz KIKKEMOJWBOYCC-OLZOCXBDSA-N 2 0 292.398 2.581 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCSC[C@H]2c2nccs2)CC[NH2+]1 ZINC000414763685 381605472 /nfs/dbraw/zinc/60/54/72/381605472.db2.gz XVROAFVFGUWXTH-UPJWGTAASA-N 2 0 297.493 2.621 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CC2(OC)CCCC2)CC1 ZINC000359731711 381585223 /nfs/dbraw/zinc/58/52/23/381585223.db2.gz OVXAQRRTONVWOZ-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP Clc1cccc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000298372752 381596794 /nfs/dbraw/zinc/59/67/94/381596794.db2.gz KVUJINWUJIPHRH-CQSZACIVSA-N 2 0 278.827 2.956 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000414843796 381608375 /nfs/dbraw/zinc/60/83/75/381608375.db2.gz CWRAQDFUNFAMFS-TUAOUCFPSA-N 2 0 264.335 2.697 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000342905984 381608312 /nfs/dbraw/zinc/60/83/12/381608312.db2.gz FCXMELWFKGKWCP-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414875919 381610155 /nfs/dbraw/zinc/61/01/55/381610155.db2.gz KNOABVXLMBTWEU-MNOVXSKESA-N 2 0 274.330 2.821 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000414863189 381610170 /nfs/dbraw/zinc/61/01/70/381610170.db2.gz XATKGAJVQQBLFS-LBPRGKRZSA-N 2 0 252.427 2.539 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000414915643 381611454 /nfs/dbraw/zinc/61/14/54/381611454.db2.gz OJLKKAFUEMUUTM-BZSNNMDCSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414925269 381613183 /nfs/dbraw/zinc/61/31/83/381613183.db2.gz IIUFNYWRWGDITM-OAGGEKHMSA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414924334 381613542 /nfs/dbraw/zinc/61/35/42/381613542.db2.gz JWTIBGLKSNNKRL-LSDHHAIUSA-N 2 0 262.397 2.833 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000414930141 381619835 /nfs/dbraw/zinc/61/98/35/381619835.db2.gz SNFDSPQWZPMBOJ-CABCVRRESA-N 2 0 264.438 2.779 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414937015 381627037 /nfs/dbraw/zinc/62/70/37/381627037.db2.gz ZQQALQLVHJFRKF-CABCVRRESA-N 2 0 262.397 2.833 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414945126 381635554 /nfs/dbraw/zinc/63/55/54/381635554.db2.gz QZDAGPDAMSMVJC-YDHLFZDLSA-N 2 0 278.465 2.927 20 0 CFADRP C[C@H](C[NH2+]C1(C)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000414938242 381630395 /nfs/dbraw/zinc/63/03/95/381630395.db2.gz IDRGNPTUVUWAGI-GFCCVEGCSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH2+]1 ZINC000414939923 381631523 /nfs/dbraw/zinc/63/15/23/381631523.db2.gz BKPMGKKECSPYAH-CZUORRHYSA-N 2 0 274.408 2.706 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000355129976 381633130 /nfs/dbraw/zinc/63/31/30/381633130.db2.gz JQHRMQYTJKJAIH-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414944080 381633518 /nfs/dbraw/zinc/63/35/18/381633518.db2.gz NFULOPQURGHVBC-ZMSDIMECSA-N 2 0 276.424 2.537 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1F ZINC000414944000 381633795 /nfs/dbraw/zinc/63/37/95/381633795.db2.gz OTRKEVZNXHNAMP-HEHGZKQESA-N 2 0 294.414 2.601 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414943870 381633872 /nfs/dbraw/zinc/63/38/72/381633872.db2.gz OMBSAHZFAFWFHU-DOTOQJQBSA-N 2 0 276.424 2.823 20 0 CFADRP COC[C@@]1(C[NH2+]CCC2CCCCCC2)CCC[NH2+]1 ZINC000414954591 381647323 /nfs/dbraw/zinc/64/73/23/381647323.db2.gz LMPLDESJDKJKQB-INIZCTEOSA-N 2 0 268.445 2.705 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1 ZINC000414957283 381649042 /nfs/dbraw/zinc/64/90/42/381649042.db2.gz VZZYKOWPNGAIPA-LALPHHSUSA-N 2 0 250.361 2.659 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000414955003 381646373 /nfs/dbraw/zinc/64/63/73/381646373.db2.gz MHIYJMDAOQJZHP-RCCFBDPRSA-N 2 0 288.435 2.681 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCC2CCCC2)CCC[NH2+]1 ZINC000414959534 381654755 /nfs/dbraw/zinc/65/47/55/381654755.db2.gz SJCUZAROPBTUMC-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000414960786 381656545 /nfs/dbraw/zinc/65/65/45/381656545.db2.gz ARLLEEYDWDUBNU-LSDHHAIUSA-N 2 0 278.444 2.517 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1Cl ZINC000414969759 381665937 /nfs/dbraw/zinc/66/59/37/381665937.db2.gz JKZVAUNJXSFWLG-CQSZACIVSA-N 2 0 282.815 2.826 20 0 CFADRP C[C@H](C[NH2+]CCC[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000414969139 381665990 /nfs/dbraw/zinc/66/59/90/381665990.db2.gz JBFRIDAVCGHVDT-GOEBONIOSA-N 2 0 268.445 2.561 20 0 CFADRP c1ccc(N2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414970727 381668126 /nfs/dbraw/zinc/66/81/26/381668126.db2.gz KQWXPXPIHNOPPD-INIZCTEOSA-N 2 0 287.451 2.777 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414975957 381671683 /nfs/dbraw/zinc/67/16/83/381671683.db2.gz PBBHMNCUARDYLZ-AWEZNQCLSA-N 2 0 298.377 2.808 20 0 CFADRP CN1CC[C@@H]([NH2+]CCc2ccccn2)[C@H]1c1ccccc1 ZINC000298555608 381672693 /nfs/dbraw/zinc/67/26/93/381672693.db2.gz OSDLSTYJOFBJPU-QZTJIDSGSA-N 2 0 281.403 2.659 20 0 CFADRP Cc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1F ZINC000414978185 381672655 /nfs/dbraw/zinc/67/26/55/381672655.db2.gz SKMMLQCVXXJECE-AWEZNQCLSA-N 2 0 250.361 2.756 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000348637514 381650642 /nfs/dbraw/zinc/65/06/42/381650642.db2.gz COMYKFXFYUNSNN-UHFFFAOYSA-N 2 0 264.335 2.791 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414957638 381651091 /nfs/dbraw/zinc/65/10/91/381651091.db2.gz WEYPITWWCJBAFF-UMVBOHGHSA-N 2 0 264.388 2.877 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(SC)cc2)CC[NH2+]CC1 ZINC000414958707 381652470 /nfs/dbraw/zinc/65/24/70/381652470.db2.gz RQKWMGPFPJBCIF-UHFFFAOYSA-N 2 0 294.464 2.514 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c2ccccc12 ZINC000414959213 381654496 /nfs/dbraw/zinc/65/44/96/381654496.db2.gz PVOKHUGLUKFZCY-CXAGYDPISA-N 2 0 284.403 2.936 20 0 CFADRP Fc1cc(F)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000415014281 381708195 /nfs/dbraw/zinc/70/81/95/381708195.db2.gz WJJOUBNCTVXFNJ-XHDPSFHLSA-N 2 0 284.325 2.582 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000415018204 381711587 /nfs/dbraw/zinc/71/15/87/381711587.db2.gz GPSRNMJYQICOBC-ZDUSSCGKSA-N 2 0 278.444 2.685 20 0 CFADRP C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715989 381714414 /nfs/dbraw/zinc/71/44/14/381714414.db2.gz GJEAYAZAFLJLGZ-HOTGVXAUSA-N 2 0 290.455 2.516 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1C ZINC000415020550 381714786 /nfs/dbraw/zinc/71/47/86/381714786.db2.gz GRZXHECSRNMGCF-SHTZXODSSA-N 2 0 276.424 2.858 20 0 CFADRP Fc1ccc(F)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414980433 381675033 /nfs/dbraw/zinc/67/50/33/381675033.db2.gz WVZPXESRMUTFIV-CYBMUJFWSA-N 2 0 254.324 2.587 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCc2ccccc2)CC[NH2+]CC1 ZINC000414983187 381677506 /nfs/dbraw/zinc/67/75/06/381677506.db2.gz ZBFOKQHAWSWZSG-MRXNPFEDSA-N 2 0 290.451 2.614 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCc2ccccc2)CC[NH2+]CC1 ZINC000414983186 381677594 /nfs/dbraw/zinc/67/75/94/381677594.db2.gz ZBFOKQHAWSWZSG-INIZCTEOSA-N 2 0 290.451 2.614 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414989517 381682553 /nfs/dbraw/zinc/68/25/53/381682553.db2.gz HGXKDWWUOLYWGC-HIFRSBDPSA-N 2 0 292.423 2.701 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000414992196 381684708 /nfs/dbraw/zinc/68/47/08/381684708.db2.gz KEUWKIWBQQNYFU-WCQYABFASA-N 2 0 292.814 2.595 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000414992198 381685621 /nfs/dbraw/zinc/68/56/21/381685621.db2.gz KEUWKIWBQQNYFU-YPMHNXCESA-N 2 0 292.814 2.595 20 0 CFADRP COc1ccc2nc(C[NH2+][C@@H](C)CCC[NH3+])sc2c1 ZINC000415023533 381716549 /nfs/dbraw/zinc/71/65/49/381716549.db2.gz NEHBBOQJBOJCKO-JTQLQIEISA-N 2 0 279.409 2.522 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414995511 381686505 /nfs/dbraw/zinc/68/65/05/381686505.db2.gz WBMWDNXPVMBQFP-YPMHNXCESA-N 2 0 297.830 2.692 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414995568 381686583 /nfs/dbraw/zinc/68/65/83/381686583.db2.gz NNPVRZIXZASVJZ-CMPLNLGQSA-N 2 0 265.426 2.628 20 0 CFADRP COc1ccc(C)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000355218334 381687599 /nfs/dbraw/zinc/68/75/99/381687599.db2.gz HSHVOBNMFULTJD-RDJZCZTQSA-N 2 0 288.435 2.920 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000414998432 381689476 /nfs/dbraw/zinc/68/94/76/381689476.db2.gz QPQVOENTULOMAE-QMTHXVAHSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000414997770 381689655 /nfs/dbraw/zinc/68/96/55/381689655.db2.gz PYKBSIOQENYIIN-CZUORRHYSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415001509 381692937 /nfs/dbraw/zinc/69/29/37/381692937.db2.gz UXHMXHMEIMAUQW-PBHICJAKSA-N 2 0 298.434 2.992 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415001955 381694997 /nfs/dbraw/zinc/69/49/97/381694997.db2.gz CZWGLBKJNYJBEB-BFJAYTPKSA-N 2 0 250.430 2.790 20 0 CFADRP C[N@H+](CCCc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000348754874 381696575 /nfs/dbraw/zinc/69/65/75/381696575.db2.gz COYRCIZBPZYFMP-SJPCQFCGSA-N 2 0 276.399 2.973 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415004215 381697009 /nfs/dbraw/zinc/69/70/09/381697009.db2.gz XXRAXZWKZKTFGS-WCQYABFASA-N 2 0 284.350 2.895 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415005481 381698585 /nfs/dbraw/zinc/69/85/85/381698585.db2.gz ZEXFNPPOMJGLPB-NEPJUHHUSA-N 2 0 282.815 2.956 20 0 CFADRP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)n1-c1ccccc1 ZINC000415005475 381698873 /nfs/dbraw/zinc/69/88/73/381698873.db2.gz ZEBVTQYNEBLYHX-CVEARBPZSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000415010997 381704123 /nfs/dbraw/zinc/70/41/23/381704123.db2.gz VOLWKVCSPKGKFE-BDAKNGLRSA-N 2 0 293.358 2.769 20 0 CFADRP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682708 381704264 /nfs/dbraw/zinc/70/42/64/381704264.db2.gz SHCRXKGLPDDEJT-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1Cl ZINC000415012173 381706070 /nfs/dbraw/zinc/70/60/70/381706070.db2.gz ISQLHXMHHOVBIN-SRVKXCTJSA-N 2 0 297.830 2.691 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1Cl ZINC000415013018 381706347 /nfs/dbraw/zinc/70/63/47/381706347.db2.gz UIMHPNKCVHHGNL-SWLSCSKDSA-N 2 0 282.790 2.957 20 0 CFADRP C[C@@H]([NH2+]CCCc1c(F)cccc1Cl)[C@H](C)[NH3+] ZINC000415013489 381707880 /nfs/dbraw/zinc/70/78/80/381707880.db2.gz KPBDUKODFBDGJF-VHSXEESVSA-N 2 0 258.768 2.737 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013780 381707905 /nfs/dbraw/zinc/70/79/05/381707905.db2.gz KXXZNGGTPCNZPB-LSDHHAIUSA-N 2 0 291.439 2.819 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000415040264 381728292 /nfs/dbraw/zinc/72/82/92/381728292.db2.gz OVDLBOYCYKJBGZ-ZJUUUORDSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000415041021 381728785 /nfs/dbraw/zinc/72/87/85/381728785.db2.gz PKADHXYGFIWEHT-DSHYNOBWSA-N 2 0 266.335 2.695 20 0 CFADRP C[C@H]([NH2+]CCc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767625 381728802 /nfs/dbraw/zinc/72/88/02/381728802.db2.gz OHPPBOMIUOJRHI-RDJZCZTQSA-N 2 0 287.451 2.867 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415042888 381730191 /nfs/dbraw/zinc/73/01/91/381730191.db2.gz RJSFCFTZHHFJNV-MRVWCRGKSA-N 2 0 252.427 2.786 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)C1 ZINC000415042421 381730380 /nfs/dbraw/zinc/73/03/80/381730380.db2.gz QUDBLZSORLNIGV-GXFFZTMASA-N 2 0 262.328 2.789 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415044591 381732840 /nfs/dbraw/zinc/73/28/40/381732840.db2.gz SGZYAYXVHNCKLM-WBVHZDCISA-N 2 0 290.451 2.711 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415049246 381734095 /nfs/dbraw/zinc/73/40/95/381734095.db2.gz XOQPILKIPGXFRD-OLZOCXBDSA-N 2 0 250.411 2.626 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415048772 381734373 /nfs/dbraw/zinc/73/43/73/381734373.db2.gz XHVHWVPRFWGTSH-HRCADAONSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415048373 381734662 /nfs/dbraw/zinc/73/46/62/381734662.db2.gz WYEITFPKGGZCEQ-IPYPFGDCSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000415051346 381736091 /nfs/dbraw/zinc/73/60/91/381736091.db2.gz ZFZDUBJDANQIFZ-HUUCEWRRSA-N 2 0 264.438 2.637 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]1C ZINC000415053293 381738537 /nfs/dbraw/zinc/73/85/37/381738537.db2.gz MKRBVYPHBSYDDW-IUGQGLEPSA-N 2 0 293.499 2.617 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OC ZINC000415063868 381749798 /nfs/dbraw/zinc/74/97/98/381749798.db2.gz PPBDLYBDUQUYSR-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415062660 381750067 /nfs/dbraw/zinc/75/00/67/381750067.db2.gz MQYBFMFCNURHPR-CYBMUJFWSA-N 2 0 250.386 2.691 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415069581 381753381 /nfs/dbraw/zinc/75/33/81/381753381.db2.gz PCQHIEMRAPYXLH-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000360055361 381754696 /nfs/dbraw/zinc/75/46/96/381754696.db2.gz DIVGWNOKALITAS-UHFFFAOYSA-N 3 0 291.483 2.635 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415068875 381754762 /nfs/dbraw/zinc/75/47/62/381754762.db2.gz NTISCLQCYBCDNN-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1OC(C)C ZINC000415069797 381757155 /nfs/dbraw/zinc/75/71/55/381757155.db2.gz XOAXKGGHUPFXCE-ZDUSSCGKSA-N 2 0 280.412 2.699 20 0 CFADRP CCOc1ccccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415024810 381718188 /nfs/dbraw/zinc/71/81/88/381718188.db2.gz OGLOMLRSGQYOMZ-SHTZXODSSA-N 2 0 276.424 2.940 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000415025325 381718268 /nfs/dbraw/zinc/71/82/68/381718268.db2.gz QMHWGSCRBICBFM-SNVBAGLBSA-N 2 0 255.431 2.658 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(F)cc1Br ZINC000415026032 381718330 /nfs/dbraw/zinc/71/83/30/381718330.db2.gz SMQQHFMRWQUGNP-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000415027531 381720184 /nfs/dbraw/zinc/72/01/84/381720184.db2.gz BAOKZROUTRYHKF-DGCLKSJQSA-N 2 0 252.789 2.865 20 0 CFADRP Cn1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C(C)(C)C)n1 ZINC000415026902 381720278 /nfs/dbraw/zinc/72/02/78/381720278.db2.gz VHCVLRJMJHGLOW-HDJSIYSDSA-N 2 0 292.471 2.572 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000415030380 381721248 /nfs/dbraw/zinc/72/12/48/381721248.db2.gz FUJMBCGMMFPZKS-YPMHNXCESA-N 2 0 252.789 2.865 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000415030310 381721869 /nfs/dbraw/zinc/72/18/69/381721869.db2.gz FNSFTRQCFKZVEK-ABAIWWIYSA-N 2 0 273.355 2.591 20 0 CFADRP CCCC1CCC(C[NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415029405 381722077 /nfs/dbraw/zinc/72/20/77/381722077.db2.gz AYIWUYXCGKEIAC-UYSNPLJNSA-N 2 0 268.445 2.561 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000415032231 381722931 /nfs/dbraw/zinc/72/29/31/381722931.db2.gz HUFBZMIJVLAYJV-DZGCQCFKSA-N 2 0 292.423 2.699 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000415038369 381726145 /nfs/dbraw/zinc/72/61/45/381726145.db2.gz NHAMQMVNQZJQBM-HUUCEWRRSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC(C)(C)O)CC2)C1 ZINC000360011393 381726235 /nfs/dbraw/zinc/72/62/35/381726235.db2.gz NMAVFPQIEXSYNO-HOCLYGCPSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)(C)C1CCC(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415038279 381726630 /nfs/dbraw/zinc/72/66/30/381726630.db2.gz NWBMEGRWMQJVRW-QSCRHYGLSA-N 2 0 250.430 2.646 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000415037954 381726775 /nfs/dbraw/zinc/72/67/75/381726775.db2.gz MXUAGYAYHXHYIH-CABZTGNLSA-N 2 0 256.752 2.696 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2ccccc21 ZINC000343538353 381782478 /nfs/dbraw/zinc/78/24/78/381782478.db2.gz UYLLZAVTNVALJC-RDTXWAMCSA-N 2 0 288.435 2.529 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1(CO)CCCC1 ZINC000415109363 381786337 /nfs/dbraw/zinc/78/63/37/381786337.db2.gz RCYDGNUDIPPKGW-OAGGEKHMSA-N 2 0 282.472 2.541 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC[NH2+]C(C)(C)C ZINC000415116716 381788366 /nfs/dbraw/zinc/78/83/66/381788366.db2.gz WFXJGAYMUHTRBU-CQSZACIVSA-N 2 0 263.429 2.771 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]CCc1csc(C(C)C)n1 ZINC000415112384 381788399 /nfs/dbraw/zinc/78/83/99/381788399.db2.gz RVGDYCRFAOIRST-LBPRGKRZSA-N 2 0 269.458 2.772 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000292171026 381790111 /nfs/dbraw/zinc/79/01/11/381790111.db2.gz DUXIHFIJYBLJSV-KRWDZBQOSA-N 2 0 267.376 2.767 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000415121036 381792226 /nfs/dbraw/zinc/79/22/26/381792226.db2.gz YTIRSRYWQXRSMN-GZBFAFLISA-N 2 0 292.423 2.743 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000372338939 381792807 /nfs/dbraw/zinc/79/28/07/381792807.db2.gz SOEBUIDHTMVUMV-DZOHQFGASA-N 2 0 294.483 2.923 20 0 CFADRP COc1cccc(OCCC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000415120193 381793317 /nfs/dbraw/zinc/79/33/17/381793317.db2.gz KXEZBSCBNRRNJV-UHFFFAOYSA-N 2 0 292.423 2.571 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000415124992 381795460 /nfs/dbraw/zinc/79/54/60/381795460.db2.gz KUJYPSLOZKKRGJ-DYVFJYSZSA-N 2 0 283.419 2.960 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000415078194 381763281 /nfs/dbraw/zinc/76/32/81/381763281.db2.gz FWVIOZCNQYULGJ-STQMWFEESA-N 2 0 254.443 2.890 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000415078193 381763369 /nfs/dbraw/zinc/76/33/69/381763369.db2.gz FWVIOZCNQYULGJ-QWHCGFSZSA-N 2 0 254.443 2.890 20 0 CFADRP C[C@@]1(C[NH2+]CCOc2ccc3ccccc3c2)CC[NH2+]C1 ZINC000415079190 381765358 /nfs/dbraw/zinc/76/53/58/381765358.db2.gz HOWMVNLKNYIUQH-GOSISDBHSA-N 2 0 284.403 2.808 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415081968 381768442 /nfs/dbraw/zinc/76/84/42/381768442.db2.gz LBQZGEAVDPMKQN-QAPCUYQASA-N 2 0 298.434 2.552 20 0 CFADRP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415084504 381769366 /nfs/dbraw/zinc/76/93/66/381769366.db2.gz RJQFIEKLNHYMAN-YNEHKIRRSA-N 2 0 296.377 2.854 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CO)c(F)c1 ZINC000415084628 381769515 /nfs/dbraw/zinc/76/95/15/381769515.db2.gz HAYGPJNFUYMDAX-CJNGLKHVSA-N 2 0 294.414 2.718 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000415085405 381771935 /nfs/dbraw/zinc/77/19/35/381771935.db2.gz QGFXANQQSIKEHP-CVEARBPZSA-N 2 0 263.429 2.784 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000415086990 381772941 /nfs/dbraw/zinc/77/29/41/381772941.db2.gz SLVLJZUZUWXEOT-YPMHNXCESA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCc1cccc(F)c1 ZINC000415088699 381775845 /nfs/dbraw/zinc/77/58/45/381775845.db2.gz MDVSWALFPZRWSF-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415089524 381775853 /nfs/dbraw/zinc/77/58/53/381775853.db2.gz NLSRFPUXFBWLBB-HSBZDZAISA-N 2 0 262.397 2.863 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1F ZINC000415091857 381777395 /nfs/dbraw/zinc/77/73/95/381777395.db2.gz RLFMAMIEGYLKOJ-JSGCOSHPSA-N 2 0 280.387 2.845 20 0 CFADRP c1ccc2c(c1)cccc2OCC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415092293 381777713 /nfs/dbraw/zinc/77/77/13/381777713.db2.gz SOUUFQBLBVAZOP-HNNXBMFYSA-N 2 0 284.403 2.808 20 0 CFADRP CCCC[C@@H](CC)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000348974466 381781008 /nfs/dbraw/zinc/78/10/08/381781008.db2.gz LPRYNKQAPXGZGQ-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343595417 381823641 /nfs/dbraw/zinc/82/36/41/381823641.db2.gz BCCPUVJRTWIMEW-MRXNPFEDSA-N 2 0 282.472 2.857 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000349127097 381830004 /nfs/dbraw/zinc/83/00/04/381830004.db2.gz HWWBVNFKDHQQRH-KBAYOESNSA-N 2 0 294.483 2.855 20 0 CFADRP COC1(C[NH+]2CCC([NH+]3CCCC3)CC2)CCCC1 ZINC000361507557 381837547 /nfs/dbraw/zinc/83/75/47/381837547.db2.gz FLZILVMHVCGFCK-UHFFFAOYSA-N 2 0 266.429 2.506 20 0 CFADRP Cc1oncc1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000372596278 381841066 /nfs/dbraw/zinc/84/10/66/381841066.db2.gz SIZVOSNPZBZKEG-OAHLLOKOSA-N 2 0 289.423 2.679 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415138194 381803461 /nfs/dbraw/zinc/80/34/61/381803461.db2.gz YNPUDIQFPWSUPM-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000343618617 381846790 /nfs/dbraw/zinc/84/67/90/381846790.db2.gz TZQREZDIWBQNDW-ZTYXSZCMSA-N 2 0 268.445 2.508 20 0 CFADRP C[C@@H]1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000343618616 381847404 /nfs/dbraw/zinc/84/74/04/381847404.db2.gz TZQREZDIWBQNDW-ZHMBSYLPSA-N 2 0 268.445 2.508 20 0 CFADRP C[C@@H](C[NH2+]CCOCC[NH+](C)C)CC1CCCCC1 ZINC000349212457 381849639 /nfs/dbraw/zinc/84/96/39/381849639.db2.gz ARSDDGXKYDKOIG-OAHLLOKOSA-N 2 0 270.461 2.761 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000343627142 381851562 /nfs/dbraw/zinc/85/15/62/381851562.db2.gz VFQHTRUEPBGKAQ-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1(C)C ZINC000361672229 381855866 /nfs/dbraw/zinc/85/58/66/381855866.db2.gz FLVJIXDQWIZISN-ARKGTOAJSA-N 2 0 282.472 2.897 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)(C)C ZINC000343653614 381870441 /nfs/dbraw/zinc/87/04/41/381870441.db2.gz DJHDWOBZPUHINJ-OAGGEKHMSA-N 2 0 282.472 2.779 20 0 CFADRP CCOc1cccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292865559 381872909 /nfs/dbraw/zinc/87/29/09/381872909.db2.gz VUVXGLJELWVXRN-KRWDZBQOSA-N 2 0 274.408 2.613 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC1=CCCC1 ZINC000372976146 381899916 /nfs/dbraw/zinc/89/99/16/381899916.db2.gz PRWZGTCZBIMADF-BPQIPLTHSA-N 2 0 292.467 2.966 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349368248 381912577 /nfs/dbraw/zinc/91/25/77/381912577.db2.gz NRPFOGSVVCWXEF-XNHLSEOASA-N 2 0 293.499 2.665 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](Cc1ccccn1)CC2)C1CC1 ZINC000362106208 381914261 /nfs/dbraw/zinc/91/42/61/381914261.db2.gz NFTNSUKJZULRJF-OAHLLOKOSA-N 2 0 285.435 2.778 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[C@@H](C)C1 ZINC000362151503 381930716 /nfs/dbraw/zinc/93/07/16/381930716.db2.gz TUAXLECDOIREAU-OWCLPIDISA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+](CCCc1ccc(C)nc1)CCC[NH+](C)C ZINC000349386362 381921978 /nfs/dbraw/zinc/92/19/78/381921978.db2.gz RYDSUGSPOAMKGD-UHFFFAOYSA-N 2 0 263.429 2.596 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](CC)CCC[NH+]2CCCC2)CCO1 ZINC000349387818 381922534 /nfs/dbraw/zinc/92/25/34/381922534.db2.gz WVGYXZJFKLLIJR-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000186355110 381889777 /nfs/dbraw/zinc/88/97/77/381889777.db2.gz FVBOGNAZQURBEJ-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP CN1CC[NH+](CC2(C)CC[NH+](CC3CCCC3)CC2)CC1 ZINC000373255747 381961854 /nfs/dbraw/zinc/96/18/54/381961854.db2.gz MWLRDMMXUKVNEZ-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP COCC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CC=CCC1 ZINC000362244961 381973369 /nfs/dbraw/zinc/97/33/69/381973369.db2.gz OXZNVUQPSKHCJK-DLBZAZTESA-N 2 0 280.456 2.775 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000357025137 381971485 /nfs/dbraw/zinc/97/14/85/381971485.db2.gz YQNYPMVHILFZEB-DISONHOPSA-N 2 0 294.483 2.996 20 0 CFADRP Cc1ccncc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373115607 381931711 /nfs/dbraw/zinc/93/17/11/381931711.db2.gz MKYQNOBUKPQWSJ-AWEZNQCLSA-N 2 0 270.380 2.503 20 0 CFADRP Cc1cc(NCc2cccc(-c3nccn3C)c2)nc(C)n1 ZINC000373150225 381938199 /nfs/dbraw/zinc/93/81/99/381938199.db2.gz FTYDXYQXJKPTKK-UHFFFAOYSA-N 2 0 293.374 2.528 20 0 CFADRP C=Cn1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cn1 ZINC000373202285 381947694 /nfs/dbraw/zinc/94/76/94/381947694.db2.gz HOOULBGEYVELJQ-ROUUACIJSA-N 2 0 296.418 2.766 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccs1 ZINC000186567627 381949654 /nfs/dbraw/zinc/94/96/54/381949654.db2.gz UFCSOLIKVCWBBT-GJZGRUSLSA-N 2 0 295.496 2.815 20 0 CFADRP FC(F)(F)C1CCC(C[NH2+]CCn2ccnc2)CC1 ZINC000186578735 381952121 /nfs/dbraw/zinc/95/21/21/381952121.db2.gz QIPRSUBIZAYEQS-UHFFFAOYSA-N 2 0 275.318 2.841 20 0 CFADRP c1ccc(CC2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000186579857 381953452 /nfs/dbraw/zinc/95/34/52/381953452.db2.gz OYCHWZNPTQABJK-IAGOWNOFSA-N 2 0 270.420 2.978 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000357000372 381954030 /nfs/dbraw/zinc/95/40/30/381954030.db2.gz VTUWOXPSAFTMME-KZNAEPCWSA-N 2 0 294.483 2.855 20 0 CFADRP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCOCC[NH3+] ZINC000357069078 381995347 /nfs/dbraw/zinc/99/53/47/381995347.db2.gz GVXFEYPNBBGIDI-HNNXBMFYSA-N 2 0 284.831 2.944 20 0 CFADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)COC)CC1)CC1CC1 ZINC000357083890 382001740 /nfs/dbraw/zinc/00/17/40/382001740.db2.gz LFWJVTRDFVDGOK-HNNXBMFYSA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCCCO)CC1)CC1CC1 ZINC000357088304 382003081 /nfs/dbraw/zinc/00/30/81/382003081.db2.gz RKRXZGRLQLRFLG-UHFFFAOYSA-N 2 0 282.472 2.593 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CCSC1)CC2)C1CC1 ZINC000373327612 381979304 /nfs/dbraw/zinc/97/93/04/381979304.db2.gz HTFVARDXHOPWES-CABCVRRESA-N 2 0 294.508 2.936 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362263324 381983535 /nfs/dbraw/zinc/98/35/35/381983535.db2.gz STTVBFJCRYHVGC-LSDHHAIUSA-N 2 0 296.455 2.524 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000357049385 381987827 /nfs/dbraw/zinc/98/78/27/381987827.db2.gz KWJMVHGUJWJPRG-HNNXBMFYSA-N 2 0 292.398 2.656 20 0 CFADRP c1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357051410 381988814 /nfs/dbraw/zinc/98/88/14/381988814.db2.gz NDIDWHNFSYDSIL-KBPBESRZSA-N 2 0 272.417 2.943 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357057056 381990820 /nfs/dbraw/zinc/99/08/20/381990820.db2.gz TYETWJCXNFOQGG-JSGCOSHPSA-N 2 0 294.826 2.780 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+]CCn1ccnc1 ZINC000186926827 382048524 /nfs/dbraw/zinc/04/85/24/382048524.db2.gz QNXQHQGWDBECLW-INIZCTEOSA-N 2 0 257.381 2.740 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C(C)(C)C ZINC000343988839 382051522 /nfs/dbraw/zinc/05/15/22/382051522.db2.gz OSQWUNHRNIOXPX-ZDUSSCGKSA-N 2 0 279.428 2.546 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)CC(C)(C)C ZINC000300274318 382058958 /nfs/dbraw/zinc/05/89/58/382058958.db2.gz GMUCOISOJUDGLF-RBSFLKMASA-N 2 0 270.461 2.684 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000373520459 382018685 /nfs/dbraw/zinc/01/86/85/382018685.db2.gz ICRIVUKYFSCZHJ-SJJHQCBESA-N 2 0 292.467 2.941 20 0 CFADRP C(C[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000373697223 382024311 /nfs/dbraw/zinc/02/43/11/382024311.db2.gz PGPCTJQBJLPSSB-ZACQAIPSSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc([C@H](C)NC[C@@H](C)C[NH+](C)C)c(OC)c1 ZINC000293297414 382068436 /nfs/dbraw/zinc/06/84/36/382068436.db2.gz DOKJVNDMRMIHQW-OLZOCXBDSA-N 2 0 280.412 2.552 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H]1CCCCO1)CC2)C1CC1 ZINC000374284840 382040746 /nfs/dbraw/zinc/04/07/46/382040746.db2.gz BABDIYSVBUKYPT-NVXWUHKLSA-N 2 0 292.467 2.752 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)sc1C ZINC000375792862 382104447 /nfs/dbraw/zinc/10/44/47/382104447.db2.gz REPKKKJPXIXJGI-RRFJBIMHSA-N 2 0 293.480 2.765 20 0 CFADRP Cc1cc(NCCCC[N@H+]2CCC[C@H](C)C2)ncn1 ZINC000301235336 382115036 /nfs/dbraw/zinc/11/50/36/382115036.db2.gz KAAYRKNHKIEDGS-ZDUSSCGKSA-N 2 0 262.401 2.709 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2CC(OCC)C2)CC1 ZINC000352008064 382122772 /nfs/dbraw/zinc/12/27/72/382122772.db2.gz ZQKFINOWTLHBPS-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CCn1cncc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000417830657 382075694 /nfs/dbraw/zinc/07/56/94/382075694.db2.gz BRUCHYNCXANMDT-UHFFFAOYSA-N 2 0 298.434 2.789 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000417863232 382087419 /nfs/dbraw/zinc/08/74/19/382087419.db2.gz AAKKTKPSKTWHBQ-XIRDDKMYSA-N 2 0 258.409 2.722 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293558941 382175096 /nfs/dbraw/zinc/17/50/96/382175096.db2.gz XFZDJZPXSQJGNB-WMLDXEAASA-N 2 0 294.414 2.835 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293558946 382175221 /nfs/dbraw/zinc/17/52/21/382175221.db2.gz XFZDJZPXSQJGNB-YOEHRIQHSA-N 2 0 294.414 2.835 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000376842398 382182389 /nfs/dbraw/zinc/18/23/89/382182389.db2.gz MLPBCHAOMHCFTQ-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C[C@@H]1OC ZINC000344109194 382134232 /nfs/dbraw/zinc/13/42/32/382134232.db2.gz LQPDHMKGODNEMX-KBPBESRZSA-N 2 0 270.461 2.758 20 0 CFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CCC(C)(C)C ZINC000344128514 382146358 /nfs/dbraw/zinc/14/63/58/382146358.db2.gz KWHULKIWUOVCRM-UHFFFAOYSA-N 2 0 283.504 2.772 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccccn1 ZINC000301324093 382147618 /nfs/dbraw/zinc/14/76/18/382147618.db2.gz XBNXWCZQYXNJCJ-GOEBONIOSA-N 2 0 282.391 2.799 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000293539582 382164121 /nfs/dbraw/zinc/16/41/21/382164121.db2.gz FWXVGGLKLPWZEL-FVQBIDKESA-N 2 0 276.424 2.786 20 0 CFADRP CC[C@@H](C)C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000357422589 382164598 /nfs/dbraw/zinc/16/45/98/382164598.db2.gz SNKIEDWZNQPTMR-OAHLLOKOSA-N 2 0 278.440 2.805 20 0 CFADRP C([C@@H]1CCOC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000344156999 382166949 /nfs/dbraw/zinc/16/69/49/382166949.db2.gz XKZNYWWSOMNKFN-SJORKVTESA-N 2 0 280.456 2.611 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCC12CCOCC2)[NH+]1CCCCC1 ZINC000376739664 382169011 /nfs/dbraw/zinc/16/90/11/382169011.db2.gz KSMWWWWXDIJFNN-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP Cn1ccnc1C[C@H]1CCCN(c2nc3ccccc3[nH]2)C1 ZINC000301869589 382197427 /nfs/dbraw/zinc/19/74/27/382197427.db2.gz IKFAPPRZOPKZMM-CYBMUJFWSA-N 2 0 295.390 2.756 20 0 CFADRP CCCC[NH+]1CCC(NC(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000352177496 382208541 /nfs/dbraw/zinc/20/85/41/382208541.db2.gz CARLXNCYNGDFFD-MRXNPFEDSA-N 2 0 297.487 2.534 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000377135232 382224037 /nfs/dbraw/zinc/22/40/37/382224037.db2.gz ZULHCFKRFPWMPO-FJIDUMEYSA-N 2 0 294.483 2.780 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000363459974 382233010 /nfs/dbraw/zinc/23/30/10/382233010.db2.gz UZXZSVYQLMDPGK-QGZVFWFLSA-N 2 0 288.435 2.580 20 0 CFADRP CN1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc21 ZINC000377195615 382234464 /nfs/dbraw/zinc/23/44/64/382234464.db2.gz KUNFBMHHRUEGFH-MIGBEJBISA-N 2 0 299.462 2.510 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293787998 382280353 /nfs/dbraw/zinc/28/03/53/382280353.db2.gz UFFDPYZTBUPMTK-CHWSQXEVSA-N 2 0 250.386 2.544 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000345052562 382281070 /nfs/dbraw/zinc/28/10/70/382281070.db2.gz XHYJOHWVNWTNOY-VDHUWJSZSA-N 2 0 288.435 2.837 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](CC)OC)CC1 ZINC000419210064 382243377 /nfs/dbraw/zinc/24/33/77/382243377.db2.gz PYSMRDBBCZMJKN-MRXNPFEDSA-N 2 0 270.461 2.855 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC)OC ZINC000419234641 382253950 /nfs/dbraw/zinc/25/39/50/382253950.db2.gz CAZIWJUDRJXNIV-ARFHVFGLSA-N 2 0 270.461 2.902 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000344292081 382255064 /nfs/dbraw/zinc/25/50/64/382255064.db2.gz DXWYOZSPUDHQAP-LJQANCHMSA-N 2 0 299.462 2.503 20 0 CFADRP C[NH+]1CCC(N2CCC([NH2+]CCC(C)(C)C)CC2)CC1 ZINC000187774775 382266484 /nfs/dbraw/zinc/26/64/84/382266484.db2.gz BZWJAFSQNCHXMO-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293761926 382267718 /nfs/dbraw/zinc/26/77/18/382267718.db2.gz SEQPLINLNJJURB-CABCVRRESA-N 2 0 278.440 2.804 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1C1CCC1 ZINC000419374217 382301878 /nfs/dbraw/zinc/30/18/78/382301878.db2.gz OAPYLIZCNGYZPN-HUUCEWRRSA-N 2 0 268.470 2.688 20 0 CFADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420290364 382344246 /nfs/dbraw/zinc/34/42/46/382344246.db2.gz IVABOGQZHDXXKM-NSHDSACASA-N 2 0 282.815 2.908 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187967388 382311412 /nfs/dbraw/zinc/31/14/12/382311412.db2.gz VZWOHTZCXZQTAJ-WMLDXEAASA-N 2 0 293.430 2.502 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187967303 382312312 /nfs/dbraw/zinc/31/23/12/382312312.db2.gz VZWOHTZCXZQTAJ-PBHICJAKSA-N 2 0 293.430 2.502 20 0 CFADRP CC(C)[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000364349288 382313106 /nfs/dbraw/zinc/31/31/06/382313106.db2.gz XBRDTBMSNDNANM-SFHVURJKSA-N 2 0 296.499 2.837 20 0 CFADRP CCN(CC)CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000377668292 382314748 /nfs/dbraw/zinc/31/47/48/382314748.db2.gz DZJCKARCLXSUHO-SJORKVTESA-N 2 0 293.430 2.502 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377757720 382336681 /nfs/dbraw/zinc/33/66/81/382336681.db2.gz AOMYCJMQJWMWKO-NVXWUHKLSA-N 2 0 284.407 2.501 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000346225529 382338194 /nfs/dbraw/zinc/33/81/94/382338194.db2.gz RLXQWDBLPXGRJQ-DFBDCSAJSA-N 2 0 294.483 2.996 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000377593842 382297586 /nfs/dbraw/zinc/29/75/86/382297586.db2.gz SLUPWIFEDCHKQF-QGZVFWFLSA-N 2 0 291.483 2.587 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000187927521 382300056 /nfs/dbraw/zinc/30/00/56/382300056.db2.gz IDBQRVNCDSPRAR-NJAFHUGGSA-N 2 0 290.451 2.604 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000302714472 382300273 /nfs/dbraw/zinc/30/02/73/382300273.db2.gz YUJYEVIRYXRGRY-ARFHVFGLSA-N 2 0 250.430 2.887 20 0 CFADRP COc1ccc(CCC[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420298441 382349150 /nfs/dbraw/zinc/34/91/50/382349150.db2.gz FHKLNBNWMCTDHB-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000188124715 382349863 /nfs/dbraw/zinc/34/98/63/382349863.db2.gz YFZFIKIPAFMOKE-GOEBONIOSA-N 2 0 296.430 2.703 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299270 382350025 /nfs/dbraw/zinc/35/00/25/382350025.db2.gz IPDJALVDEQQHHB-VYDXJSESSA-N 2 0 258.409 2.864 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000420298536 382350315 /nfs/dbraw/zinc/35/03/15/382350315.db2.gz HPEDRHFQDIKNTG-IIAWOOMASA-N 2 0 276.424 2.858 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420300444 382351203 /nfs/dbraw/zinc/35/12/03/382351203.db2.gz HKHPABFJNOYBBC-RYUDHWBXSA-N 2 0 268.351 2.957 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)CC2(C)C)cc1 ZINC000420300981 382351622 /nfs/dbraw/zinc/35/16/22/382351622.db2.gz KUYWGJWQLVLIEE-DZGCQCFKSA-N 2 0 276.424 2.858 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3ccsc3)C[C@H]21 ZINC000420302409 382354074 /nfs/dbraw/zinc/35/40/74/382354074.db2.gz FYPCKDHCDXLFQS-RRFJBIMHSA-N 2 0 264.438 2.740 20 0 CFADRP CO[C@H](C)C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188137194 382354216 /nfs/dbraw/zinc/35/42/16/382354216.db2.gz BESWWOKXEBEMBQ-UBDQQSCGSA-N 2 0 288.435 2.522 20 0 CFADRP CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420304006 382354219 /nfs/dbraw/zinc/35/42/19/382354219.db2.gz IGPMBQKDULHTLI-GVDBMIGSSA-N 2 0 258.409 2.808 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420303427 382354645 /nfs/dbraw/zinc/35/46/45/382354645.db2.gz KIEHBNAQGFLWSX-NEPJUHHUSA-N 2 0 268.351 2.957 20 0 CFADRP C(C[NH+]1CCC(OCC2CCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000420305677 382355650 /nfs/dbraw/zinc/35/56/50/382355650.db2.gz PUBMPCHDQBKMOW-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)CCSC)cc1 ZINC000420307594 382357361 /nfs/dbraw/zinc/35/73/61/382357361.db2.gz RMOMFYHADWHYPJ-UKRRQHHQSA-N 2 0 296.480 2.811 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000420308277 382357795 /nfs/dbraw/zinc/35/77/95/382357795.db2.gz CVLKVYSWOWYPOC-JJRVBVJISA-N 2 0 274.383 2.744 20 0 CFADRP c1ccc(N[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420309665 382357884 /nfs/dbraw/zinc/35/78/84/382357884.db2.gz DXUMTMPTBVOERD-RDJZCZTQSA-N 2 0 273.424 2.563 20 0 CFADRP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307543 382358753 /nfs/dbraw/zinc/35/87/53/382358753.db2.gz BUISCLSURRRINZ-RHSMWYFYSA-N 2 0 298.434 2.710 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000420390308 382396731 /nfs/dbraw/zinc/39/67/31/382396731.db2.gz QBVKWJFDZQSHIJ-UHFFFAOYSA-N 2 0 254.805 2.814 20 0 CFADRP c1ccc(C[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420315955 382362905 /nfs/dbraw/zinc/36/29/05/382362905.db2.gz MAHYZHXKFDVAFR-IAGOWNOFSA-N 2 0 258.409 2.551 20 0 CFADRP CC[N@@H+](CCc1cccs1)CC[C@H]1CC[NH2+]C1 ZINC000420319303 382366858 /nfs/dbraw/zinc/36/68/58/382366858.db2.gz PEEWRUMEECSPGA-CYBMUJFWSA-N 2 0 252.427 2.612 20 0 CFADRP CCCc1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420319920 382367481 /nfs/dbraw/zinc/36/74/81/382367481.db2.gz AZHBTQFJKNMUOY-KBPBESRZSA-N 2 0 293.480 2.917 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420323999 382368596 /nfs/dbraw/zinc/36/85/96/382368596.db2.gz UWMORVRRQHHQBM-RHSMWYFYSA-N 2 0 274.408 2.832 20 0 CFADRP Fc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420325916 382370554 /nfs/dbraw/zinc/37/05/54/382370554.db2.gz WXHNNWUHMDZMQW-CYBMUJFWSA-N 2 0 262.372 2.790 20 0 CFADRP COCC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccs1 ZINC000420327821 382370920 /nfs/dbraw/zinc/37/09/20/382370920.db2.gz YWRFBLMEXVLFBU-CQSZACIVSA-N 2 0 282.453 2.586 20 0 CFADRP Fc1cccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420344545 382377439 /nfs/dbraw/zinc/37/74/39/382377439.db2.gz UCIAHLAPFKDNPZ-KRWDZBQOSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@H](C[N@H+](C)CC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000420359794 382381971 /nfs/dbraw/zinc/38/19/71/382381971.db2.gz KUZCCGDTDHBKLX-QWHCGFSZSA-N 2 0 267.442 2.568 20 0 CFADRP CCN(CC)c1ncc(CN2CCCC[C@H]2CC[NH3+])s1 ZINC000352540261 382385798 /nfs/dbraw/zinc/38/57/98/382385798.db2.gz IVBRFEZCXQDVJP-ZDUSSCGKSA-N 2 0 296.484 2.693 20 0 CFADRP CC(C)(C)[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1F ZINC000420399739 382398142 /nfs/dbraw/zinc/39/81/42/382398142.db2.gz IANJJUYLHHIRBE-CYBMUJFWSA-N 2 0 256.340 2.990 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420398951 382398193 /nfs/dbraw/zinc/39/81/93/382398193.db2.gz HGRLBNWZNSZSDP-MNOVXSKESA-N 2 0 252.324 2.636 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000346499766 382387566 /nfs/dbraw/zinc/38/75/66/382387566.db2.gz YJNDMIWRGMEZFT-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000420398949 382398354 /nfs/dbraw/zinc/39/83/54/382398354.db2.gz HGRLBNWZNSZSDP-GHMZBOCLSA-N 2 0 252.324 2.636 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420367417 382389455 /nfs/dbraw/zinc/38/94/55/382389455.db2.gz VUMGDGKTQGPWOX-NVXWUHKLSA-N 2 0 273.424 2.563 20 0 CFADRP Cc1ccc(C)c(OCC[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420368010 382389689 /nfs/dbraw/zinc/38/96/89/382389689.db2.gz TUGHWEYSDBWKQD-MRXNPFEDSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000366638505 296329473 /nfs/dbraw/zinc/32/94/73/296329473.db2.gz FFAWLPZKIAHQLB-ZBFHGGJFSA-N 2 0 282.472 2.780 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420375922 382393278 /nfs/dbraw/zinc/39/32/78/382393278.db2.gz ONUSRSUTMZIEJT-SFHVURJKSA-N 2 0 272.436 2.867 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420379910 382394286 /nfs/dbraw/zinc/39/42/86/382394286.db2.gz BNEDRMGCASQKHX-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C(C[NH+]1CCC(OC2CCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420296039 382347474 /nfs/dbraw/zinc/34/74/74/382347474.db2.gz CXEGIZXKTHKMJS-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346632760 382447569 /nfs/dbraw/zinc/44/75/69/382447569.db2.gz DTWKVQMGKROPHI-DZGCQCFKSA-N 2 0 284.407 2.554 20 0 CFADRP CCc1ncc(C[NH+]2CCC(CC[NH2+]C)CC2)s1 ZINC000346635426 382447578 /nfs/dbraw/zinc/44/75/78/382447578.db2.gz GZODIJPSKXCKGV-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000305148375 382428159 /nfs/dbraw/zinc/42/81/59/382428159.db2.gz SOEBUIDHTMVUMV-UBDQQSCGSA-N 2 0 294.483 2.923 20 0 CFADRP C[NH+](C)[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000365475874 382399272 /nfs/dbraw/zinc/39/92/72/382399272.db2.gz OSJXYCIDBYOEDC-HNNXBMFYSA-N 2 0 278.444 2.554 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420403124 382399576 /nfs/dbraw/zinc/39/95/76/382399576.db2.gz KQUPBXYYUSHUCS-DOTOQJQBSA-N 2 0 260.425 2.844 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000420406742 382401331 /nfs/dbraw/zinc/40/13/31/382401331.db2.gz NXUNBSPRRONXES-JZXOWHBKSA-N 2 0 288.435 2.744 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420408756 382401780 /nfs/dbraw/zinc/40/17/80/382401780.db2.gz PUFXHQMKWFNQEM-HOCLYGCPSA-N 2 0 276.424 2.545 20 0 CFADRP CC(C)[C@H]([NH2+]CCC1CC[NH2+]CC1)c1nc(C2CC2)no1 ZINC000420417888 382403625 /nfs/dbraw/zinc/40/36/25/382403625.db2.gz WODUOOPMRGXDAN-AWEZNQCLSA-N 2 0 292.427 2.623 20 0 CFADRP C[C@@H]1CC[N@H+](CCCc2ccsc2)C[C@@H]1C[NH3+] ZINC000420413744 382403915 /nfs/dbraw/zinc/40/39/15/382403915.db2.gz SXMLGBYHBALWEF-OCCSQVGLSA-N 2 0 252.427 2.597 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CCCCCC1 ZINC000346550939 382409156 /nfs/dbraw/zinc/40/91/56/382409156.db2.gz DUZURUNKKBNZEO-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)[C@@H](C)C1 ZINC000346564150 382415884 /nfs/dbraw/zinc/41/58/84/382415884.db2.gz MUPWCLIUDZMHBL-KKUMJFAQSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000346644379 382453533 /nfs/dbraw/zinc/45/35/33/382453533.db2.gz DHXIZAIJLHNVCB-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP [NH3+]CC1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000346655047 382456967 /nfs/dbraw/zinc/45/69/67/382456967.db2.gz PPQJEAUFWFLAON-OWOJBTEDSA-N 2 0 266.335 2.649 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000378437043 382459162 /nfs/dbraw/zinc/45/91/62/382459162.db2.gz DWEDNGDARQWYNA-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCCC2 ZINC000378454827 382464890 /nfs/dbraw/zinc/46/48/90/382464890.db2.gz LOLDIVPORUBZOM-DLBZAZTESA-N 2 0 292.467 2.966 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC2(C)C)[C@H](C)C1 ZINC000358139693 382466769 /nfs/dbraw/zinc/46/67/69/382466769.db2.gz KYASYWQXGWOAIN-OAGGEKHMSA-N 2 0 282.472 2.759 20 0 CFADRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OC(C)C ZINC000346687467 382472435 /nfs/dbraw/zinc/47/24/35/382472435.db2.gz WAUPSMCNRSVNMS-UHFFFAOYSA-N 2 0 294.439 2.899 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000346682840 382469596 /nfs/dbraw/zinc/46/95/96/382469596.db2.gz PZUMHDCVEYYMSK-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000310409701 382495983 /nfs/dbraw/zinc/49/59/83/382495983.db2.gz ZHLYXIMQSGOVAQ-ZDUSSCGKSA-N 2 0 260.372 2.743 20 0 CFADRP CSC1(C[NH2+]Cc2ccccc2C)CC[NH+](C)CC1 ZINC000353188447 382522494 /nfs/dbraw/zinc/52/24/94/382522494.db2.gz GWNZMZUAQFGVCM-UHFFFAOYSA-N 2 0 278.465 2.912 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4cc(F)ccc4o3)C[C@@H]12 ZINC000346818486 382529177 /nfs/dbraw/zinc/52/91/77/382529177.db2.gz GLWBHBKPLUYYEX-COLVAYQJSA-N 2 0 274.339 2.741 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CC2CCC1CC2 ZINC000382249713 382529179 /nfs/dbraw/zinc/52/91/79/382529179.db2.gz XATGFHCGCRVUMM-QTISTPMNSA-N 2 0 250.430 2.790 20 0 CFADRP c1ccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346818197 382529186 /nfs/dbraw/zinc/52/91/86/382529186.db2.gz BDLNZOZNRQTDTB-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000382138556 382529248 /nfs/dbraw/zinc/52/92/48/382529248.db2.gz OHGFWRKIMHSZFY-BHYGNILZSA-N 2 0 258.409 2.987 20 0 CFADRP c1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346813238 382525665 /nfs/dbraw/zinc/52/56/65/382525665.db2.gz AHBONRJTNAQNSS-GDBMZVCRSA-N 2 0 276.449 2.776 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000378643284 382499948 /nfs/dbraw/zinc/49/99/48/382499948.db2.gz AJCKYASCFUVYSD-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000378643283 382500119 /nfs/dbraw/zinc/50/01/19/382500119.db2.gz AJCKYASCFUVYSD-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CN(C)C[C@H]2C)CCC1 ZINC000353158801 382502661 /nfs/dbraw/zinc/50/26/61/382502661.db2.gz ZJXARHCFASAGHY-ZBFHGGJFSA-N 2 0 288.435 2.657 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000311608646 382505976 /nfs/dbraw/zinc/50/59/76/382505976.db2.gz FCMRZGNRPARILQ-IYBDPMFKSA-N 2 0 258.409 2.735 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc2ncccc12 ZINC000311799014 382508721 /nfs/dbraw/zinc/50/87/21/382508721.db2.gz GTSFAKBLTOMHPL-INIZCTEOSA-N 2 0 257.381 2.698 20 0 CFADRP COc1cc(F)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000312251032 382513087 /nfs/dbraw/zinc/51/30/87/382513087.db2.gz FZQDVJOKEJEOCE-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C(C)(C)C1 ZINC000380547174 382514686 /nfs/dbraw/zinc/51/46/86/382514686.db2.gz XHQWYCSBBNKLRC-ZDUSSCGKSA-N 2 0 258.409 2.953 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366494155 382519057 /nfs/dbraw/zinc/51/90/57/382519057.db2.gz BIFMWIJPUKJRHD-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346838310 382538348 /nfs/dbraw/zinc/53/83/48/382538348.db2.gz WXSSSBXFKOAJIB-HEGGERCZSA-N 2 0 286.419 2.768 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000384071756 382548690 /nfs/dbraw/zinc/54/86/90/382548690.db2.gz NNQJRJVTEQOQMN-MSOLQXFVSA-N 2 0 290.451 2.899 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccccc2F)[C@@H](C)C1 ZINC000346866756 382551583 /nfs/dbraw/zinc/55/15/83/382551583.db2.gz HMJNYGMYJXQGOQ-GOEBONIOSA-N 2 0 293.430 2.948 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCC1 ZINC000358293687 382552193 /nfs/dbraw/zinc/55/21/93/382552193.db2.gz AUPFOEIBVAINEY-IAOVAPTHSA-N 2 0 280.456 2.533 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000384321050 382552358 /nfs/dbraw/zinc/55/23/58/382552358.db2.gz OVZJDPNDNLHKHO-USXIJHARSA-N 2 0 276.424 2.621 20 0 CFADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358294977 382553050 /nfs/dbraw/zinc/55/30/50/382553050.db2.gz COXCPSHHIPNNKW-XWCCPHMRSA-N 2 0 282.431 2.789 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000353611163 382576954 /nfs/dbraw/zinc/57/69/54/382576954.db2.gz XQBBOJOZOYGEOC-CQSZACIVSA-N 2 0 273.424 2.915 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](Cc2ccccc2)OC)C1 ZINC000295097485 382577024 /nfs/dbraw/zinc/57/70/24/382577024.db2.gz SYPKPICIFGBMTL-MSOLQXFVSA-N 2 0 290.451 2.518 20 0 CFADRP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000384938757 382563403 /nfs/dbraw/zinc/56/34/03/382563403.db2.gz DTDOSVSAZGQFEC-UHFFFAOYSA-N 2 0 274.286 2.507 20 0 CFADRP CC(C)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367307962 382564671 /nfs/dbraw/zinc/56/46/71/382564671.db2.gz AKFGZKMDPNYWNW-AWEZNQCLSA-N 2 0 250.430 2.839 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000366638504 382535693 /nfs/dbraw/zinc/53/56/93/382535693.db2.gz FFAWLPZKIAHQLB-HOCLYGCPSA-N 2 0 282.472 2.780 20 0 CFADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000346835028 382535773 /nfs/dbraw/zinc/53/57/73/382535773.db2.gz LVQGCORHEYUKRW-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP Oc1cccc(C[N@H+](CC2CC2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346836652 382536179 /nfs/dbraw/zinc/53/61/79/382536179.db2.gz UVMJDWJLZAKQBF-MRXNPFEDSA-N 2 0 274.408 2.604 20 0 CFADRP CSC1(C[NH2+]C2Cc3ccccc3C2)CC[NH+](C)CC1 ZINC000353625800 382584861 /nfs/dbraw/zinc/58/48/61/382584861.db2.gz GYZGYRYFXCPTDQ-UHFFFAOYSA-N 2 0 290.476 2.571 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353631302 382586230 /nfs/dbraw/zinc/58/62/30/382586230.db2.gz LESDFZPXOSGJBW-RCCFBDPRSA-N 2 0 288.435 2.966 20 0 CFADRP Fc1ccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000386371908 382588289 /nfs/dbraw/zinc/58/82/89/382588289.db2.gz PLKMNSWQQFSKOD-GASCZTMLSA-N 2 0 292.398 2.526 20 0 CFADRP CC1CCC(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000386559641 382589729 /nfs/dbraw/zinc/58/97/29/382589729.db2.gz VGEHWUOCSILDFM-STONLHKKSA-N 2 0 250.430 2.744 20 0 CFADRP COc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000295224370 382592539 /nfs/dbraw/zinc/59/25/39/382592539.db2.gz CAECGAIQZATSLJ-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CC)CC2)[C@H](C)C1 ZINC000358397858 382600059 /nfs/dbraw/zinc/60/00/59/382600059.db2.gz ISNBTRGLUPPFMA-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353664387 382600449 /nfs/dbraw/zinc/60/04/49/382600449.db2.gz XEDHVVAOYXKMLS-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP Fc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000189378977 382601228 /nfs/dbraw/zinc/60/12/28/382601228.db2.gz KMIMBYSWPDQWAZ-OAHLLOKOSA-N 2 0 277.387 2.671 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000387689164 382601296 /nfs/dbraw/zinc/60/12/96/382601296.db2.gz UVRWHFBNGJGVHU-QZTJIDSGSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389955025 382616707 /nfs/dbraw/zinc/61/67/07/382616707.db2.gz YYDOYTDPLBCWIR-OAHLLOKOSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)COCc1ccccc1 ZINC000389936856 382617135 /nfs/dbraw/zinc/61/71/35/382617135.db2.gz JZYGRJQEHFLTPA-OIISXLGYSA-N 2 0 276.424 2.699 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2)C[C@H]1C ZINC000353743899 382622847 /nfs/dbraw/zinc/62/28/47/382622847.db2.gz DYWHXXIIXHWODF-ZBFHGGJFSA-N 2 0 276.424 3.000 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000396453125 382631345 /nfs/dbraw/zinc/63/13/45/382631345.db2.gz KQCJOMYKUVXNCO-ZDUSSCGKSA-N 2 0 271.408 2.988 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367614273 382578000 /nfs/dbraw/zinc/57/80/00/382578000.db2.gz GFXWMSXTVBJDGA-XHSDSOJGSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000353612841 382578572 /nfs/dbraw/zinc/57/85/72/382578572.db2.gz SWIKKVBGZDMEIE-WMLDXEAASA-N 2 0 290.455 2.585 20 0 CFADRP CSC1(C[NH2+][C@H]2CCCC[C@H]2C)CC[NH+](C)CC1 ZINC000353612951 382579249 /nfs/dbraw/zinc/57/92/49/382579249.db2.gz ULQNJNNSWMQIPO-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]([NH2+]CCCOC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386066407 382582324 /nfs/dbraw/zinc/58/23/24/382582324.db2.gz YNTRWQUURKWZGZ-GOEBONIOSA-N 2 0 268.445 2.846 20 0 CFADRP Cc1cncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000189789326 382640718 /nfs/dbraw/zinc/64/07/18/382640718.db2.gz RLWIZMOQUIWXTA-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189797154 382640930 /nfs/dbraw/zinc/64/09/30/382640930.db2.gz MVAVHXBCQDPBNZ-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189797134 382640980 /nfs/dbraw/zinc/64/09/80/382640980.db2.gz MVAVHXBCQDPBNZ-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC1CCCC1 ZINC000190604105 382674681 /nfs/dbraw/zinc/67/46/81/382674681.db2.gz HLSSOHMXDQSHCL-DLBZAZTESA-N 2 0 282.472 2.734 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000191840354 382702791 /nfs/dbraw/zinc/70/27/91/382702791.db2.gz UILWFLVTADTTEQ-CVEARBPZSA-N 2 0 278.444 2.688 20 0 CFADRP C[N@H+](CCSC[C@H]1CC[NH+](C)C1)Cc1ccccc1 ZINC000193633692 382721767 /nfs/dbraw/zinc/72/17/67/382721767.db2.gz FUAPNZKSJJKGGY-INIZCTEOSA-N 2 0 278.465 2.803 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000336829253 382725599 /nfs/dbraw/zinc/72/55/99/382725599.db2.gz BYQHZLGNWZCWIR-NSHDSACASA-N 2 0 290.329 2.873 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000336829252 382725646 /nfs/dbraw/zinc/72/56/46/382725646.db2.gz BYQHZLGNWZCWIR-LLVKDONJSA-N 2 0 290.329 2.873 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000575071787 382726171 /nfs/dbraw/zinc/72/61/71/382726171.db2.gz GVHBYXFKLWKWET-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336834986 382728617 /nfs/dbraw/zinc/72/86/17/382728617.db2.gz SSKYXBMMHPSAMC-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000336839532 382730781 /nfs/dbraw/zinc/73/07/81/382730781.db2.gz OWFHHHYMNQTSPB-OLZOCXBDSA-N 2 0 280.412 2.872 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000336839238 382730862 /nfs/dbraw/zinc/73/08/62/382730862.db2.gz OJPCBGNAOSMVHD-INIZCTEOSA-N 3 0 281.488 2.892 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)C(C)(C)C)C2)CC1 ZINC000336846402 382734213 /nfs/dbraw/zinc/73/42/13/382734213.db2.gz OARCEOJUXYOVHH-SJORKVTESA-N 2 0 296.499 2.837 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000191071386 382690242 /nfs/dbraw/zinc/69/02/42/382690242.db2.gz GNJQBRSPRIOQCK-SJLPKXTDSA-N 2 0 294.483 2.757 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NC2CCCC2)c1 ZINC000195523090 382768676 /nfs/dbraw/zinc/76/86/76/382768676.db2.gz IEGDBNSJJKGWKS-UHFFFAOYSA-N 2 0 288.439 2.695 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000211083036 382774752 /nfs/dbraw/zinc/77/47/52/382774752.db2.gz BPRJJWQAGLDTIV-UHFFFAOYSA-N 2 0 252.324 2.793 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000337197607 382775161 /nfs/dbraw/zinc/77/51/61/382775161.db2.gz YTKCHBWCCAPCFK-MWDXBVQZSA-N 2 0 282.472 2.852 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000219619797 382794582 /nfs/dbraw/zinc/79/45/82/382794582.db2.gz QESZMNFVJUMSAZ-JFIYKMOQSA-N 2 0 295.515 2.673 20 0 CFADRP CCC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337251263 382785822 /nfs/dbraw/zinc/78/58/22/382785822.db2.gz NONQYJRIFOSJBM-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CCC1(CC)CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337258181 382787682 /nfs/dbraw/zinc/78/76/82/382787682.db2.gz UVHHBXHNYBSKNQ-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CCSCCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000337265487 382789225 /nfs/dbraw/zinc/78/92/25/382789225.db2.gz UGRWHWYCDKIGQT-UHFFFAOYSA-N 2 0 290.436 2.809 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000194214280 382737831 /nfs/dbraw/zinc/73/78/31/382737831.db2.gz YSEQTFNHHKUGJQ-HOTGVXAUSA-N 2 0 290.455 2.831 20 0 CFADRP C=Cn1cc(CNCCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000194340031 382741110 /nfs/dbraw/zinc/74/11/10/382741110.db2.gz LNBFGWMMOQLLEL-UHFFFAOYSA-N 2 0 284.407 2.595 20 0 CFADRP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194540781 382747936 /nfs/dbraw/zinc/74/79/36/382747936.db2.gz PBLOHXVAMKBVCO-IYBDPMFKSA-N 2 0 296.414 2.842 20 0 CFADRP CC(C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CC1 ZINC000575332678 382759079 /nfs/dbraw/zinc/75/90/79/382759079.db2.gz DSQFHUFIZPFIIO-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228472422 382846745 /nfs/dbraw/zinc/84/67/45/382846745.db2.gz SOMPEGLAVDHBMY-WXYCVUISSA-N 2 0 262.372 2.946 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3F)C[C@H]21 ZINC000228471146 382847200 /nfs/dbraw/zinc/84/72/00/382847200.db2.gz FUFHKCSHXOFQKS-WDBKCZKBSA-N 2 0 266.335 2.524 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000577109890 382848365 /nfs/dbraw/zinc/84/83/65/382848365.db2.gz NBXNQTBDXUEFMI-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP Cc1cnc(C)nc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000577231101 382852699 /nfs/dbraw/zinc/85/26/99/382852699.db2.gz GCFWZWZSIBDRGV-ZBFHGGJFSA-N 2 0 286.423 2.547 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000337335916 382804866 /nfs/dbraw/zinc/80/48/66/382804866.db2.gz LUNCFPYGVITCMP-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337342733 382805993 /nfs/dbraw/zinc/80/59/93/382805993.db2.gz RNVFHFOPMVTZHM-CQSZACIVSA-N 2 0 288.435 2.832 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000576003406 382807016 /nfs/dbraw/zinc/80/70/16/382807016.db2.gz WNPJHMQXQUWHFD-GJZGRUSLSA-N 2 0 258.409 2.886 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000576030247 382807991 /nfs/dbraw/zinc/80/79/91/382807991.db2.gz SGCBUDPUFYXFSH-CABCVRRESA-N 2 0 272.477 2.740 20 0 CFADRP CC1CCC(O)(C[NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000576100755 382810039 /nfs/dbraw/zinc/81/00/39/382810039.db2.gz BOTVWTKBSZOLFR-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])ccc1Oc1cccnc1 ZINC000576160108 382812506 /nfs/dbraw/zinc/81/25/06/382812506.db2.gz VOOPGXQTWATBCT-UHFFFAOYSA-N 2 0 285.391 2.963 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576172553 382813449 /nfs/dbraw/zinc/81/34/49/382813449.db2.gz PSRQEDOAUGREOG-HUUCEWRRSA-N 2 0 261.413 2.738 20 0 CFADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000226328506 382826709 /nfs/dbraw/zinc/82/67/09/382826709.db2.gz HKWFZTXRONQGNT-CQSZACIVSA-N 2 0 264.413 2.643 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325293 382826750 /nfs/dbraw/zinc/82/67/50/382826750.db2.gz VENNOAMZLHAMRE-OLZOCXBDSA-N 2 0 250.361 2.948 20 0 CFADRP CC(C)[N@@H+](C)CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000226340393 382826834 /nfs/dbraw/zinc/82/68/34/382826834.db2.gz CBQPUMPHKTZWIR-JKSUJKDBSA-N 2 0 269.477 2.617 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436526 382828776 /nfs/dbraw/zinc/82/87/76/382828776.db2.gz ZXYZBGSCEYUZCN-CQSZACIVSA-N 2 0 280.387 2.526 20 0 CFADRP CCCC[C@H](CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000576615949 382829878 /nfs/dbraw/zinc/82/98/78/382829878.db2.gz OEAGCQYWHORFRF-INIZCTEOSA-N 2 0 297.487 2.537 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000337505959 382833926 /nfs/dbraw/zinc/83/39/26/382833926.db2.gz FLAJWKMOORIDKZ-AWEZNQCLSA-N 2 0 278.444 2.501 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227327133 382835813 /nfs/dbraw/zinc/83/58/13/382835813.db2.gz QFLDJUVOZCNYEB-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000227328255 382835926 /nfs/dbraw/zinc/83/59/26/382835926.db2.gz BLUHQSOMUMTMCB-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000576814706 382837120 /nfs/dbraw/zinc/83/71/20/382837120.db2.gz OSQFCZGRGXTBTA-JKSUJKDBSA-N 2 0 271.408 2.818 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C[NH+]1CCCCC1 ZINC000227539127 382837639 /nfs/dbraw/zinc/83/76/39/382837639.db2.gz UITJTIPJPDAWMU-OLMNPRSZSA-N 2 0 287.451 2.843 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000227540758 382837662 /nfs/dbraw/zinc/83/76/62/382837662.db2.gz MUIFGQQPNCDVOL-IAGOWNOFSA-N 2 0 273.424 2.595 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000227673619 382839354 /nfs/dbraw/zinc/83/93/54/382839354.db2.gz QARFPWCRCKKUEB-PBHICJAKSA-N 2 0 276.424 2.558 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000229936381 382854429 /nfs/dbraw/zinc/85/44/29/382854429.db2.gz QAEJOXDJOZCVLY-FGTMMUONSA-N 2 0 293.499 2.619 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@@H]21 ZINC000230048348 382855104 /nfs/dbraw/zinc/85/51/04/382855104.db2.gz OXDRUHVLLPYKHL-VNHYZAJKSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000230049586 382855168 /nfs/dbraw/zinc/85/51/68/382855168.db2.gz QSRCQPFMOAIODG-AEGPPILISA-N 2 0 264.800 2.899 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(F)c3F)C[C@@H]21 ZINC000230048293 382855474 /nfs/dbraw/zinc/85/54/74/382855474.db2.gz BRJGZHRWIYKAFY-VHRBIJSZSA-N 2 0 266.335 2.524 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441348689 382909078 /nfs/dbraw/zinc/90/90/78/382909078.db2.gz CTOJLFIFVVTHTL-DLBZAZTESA-N 2 0 293.499 2.594 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000577410408 382858590 /nfs/dbraw/zinc/85/85/90/382858590.db2.gz ACPHFDYJUOXPKQ-NXOAAHMSSA-N 2 0 274.408 2.624 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000577582649 382863680 /nfs/dbraw/zinc/86/36/80/382863680.db2.gz DJQDBKADNOIXQZ-KRWDZBQOSA-N 2 0 293.499 2.856 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000577655232 382866807 /nfs/dbraw/zinc/86/68/07/382866807.db2.gz CYCCYILHKJYWCZ-XHSDSOJGSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000577681999 382867310 /nfs/dbraw/zinc/86/73/10/382867310.db2.gz KNWSJVOPEOAFHD-UKRRQHHQSA-N 2 0 290.455 2.546 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCOCC1 ZINC000232915955 382870382 /nfs/dbraw/zinc/87/03/82/382870382.db2.gz QZVOBYWWYOTKCO-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000577768519 382870475 /nfs/dbraw/zinc/87/04/75/382870475.db2.gz GGOVARSWAMKFIF-NXOAAHMSSA-N 2 0 274.408 2.766 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577816021 382871298 /nfs/dbraw/zinc/87/12/98/382871298.db2.gz OZHJKDPBPLMDJZ-MIFYACCESA-N 2 0 268.445 2.654 20 0 CFADRP CN(Cc1ccc(F)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000234358926 382874270 /nfs/dbraw/zinc/87/42/70/382874270.db2.gz LDJIORZSDFYURL-LBPRGKRZSA-N 2 0 270.779 2.911 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC23CC3)C[C@@H](C)O1 ZINC000577888111 382874492 /nfs/dbraw/zinc/87/44/92/382874492.db2.gz HSWXGFHFAMAEGO-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000337951669 382877369 /nfs/dbraw/zinc/87/73/69/382877369.db2.gz QCRWZAOVYJLCKY-QGZVFWFLSA-N 2 0 298.434 2.649 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000235462835 382882382 /nfs/dbraw/zinc/88/23/82/382882382.db2.gz FXMSWYQVMCQMFG-YIYPIFLZSA-N 2 0 279.453 2.757 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2F)CC[NH2+]1 ZINC000235659870 382885055 /nfs/dbraw/zinc/88/50/55/382885055.db2.gz WYPYQHCONNWHQQ-QWHCGFSZSA-N 2 0 250.361 2.646 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337987719 382890586 /nfs/dbraw/zinc/89/05/86/382890586.db2.gz GWKDYUXVMUKLFJ-ROUUACIJSA-N 2 0 293.499 2.572 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992076 382892305 /nfs/dbraw/zinc/89/23/05/382892305.db2.gz QRWDHWGEXJPAGA-JCGIZDLHSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337995450 382894113 /nfs/dbraw/zinc/89/41/13/382894113.db2.gz MULFIVFCEWOCRR-IKGGRYGDSA-N 2 0 299.478 2.520 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000578231146 382902913 /nfs/dbraw/zinc/90/29/13/382902913.db2.gz KAWAGAIGFPDDFX-QGZVFWFLSA-N 2 0 286.419 2.972 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422847849 532963811 /nfs/dbraw/zinc/96/38/11/532963811.db2.gz SFXCTAXXZJFKRU-OLZOCXBDSA-N 2 0 264.388 2.963 20 0 CFADRP Cc1ccc2[nH]c(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nc2c1 ZINC000578726616 382947350 /nfs/dbraw/zinc/94/73/50/382947350.db2.gz JBFQPTDMERGSJH-RRFJBIMHSA-N 2 0 298.434 2.882 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccncc2)[C@H](C)C1 ZINC000494985358 382950605 /nfs/dbraw/zinc/95/06/05/382950605.db2.gz JKJOCTNMGNKXJG-HEDFYIJFSA-N 2 0 273.424 2.757 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccncc2)[C@H](C)C1 ZINC000494985357 382950988 /nfs/dbraw/zinc/95/09/88/382950988.db2.gz JKJOCTNMGNKXJG-FHYYHZITSA-N 2 0 273.424 2.757 20 0 CFADRP Cc1ccc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442760805 382951633 /nfs/dbraw/zinc/95/16/33/382951633.db2.gz VPDAFXOHVJEOHS-SJPCQFCGSA-N 2 0 258.409 2.752 20 0 CFADRP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](C)[C@@H]3C)CC2)nc(C)n1 ZINC000495041415 382953730 /nfs/dbraw/zinc/95/37/30/382953730.db2.gz FDOHVBGYUVSMIQ-PVXIVEMSSA-N 2 0 288.439 2.696 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000421865987 382954351 /nfs/dbraw/zinc/95/43/51/382954351.db2.gz ACROMAVCLYSKPE-OFLPRAFFSA-N 2 0 298.434 2.962 20 0 CFADRP C[N@H+](CCOC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442775231 382954628 /nfs/dbraw/zinc/95/46/28/382954628.db2.gz FXTDZGJWAKYYLE-XYPWUTKMSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422914952 532964658 /nfs/dbraw/zinc/96/46/58/532964658.db2.gz WUQRJLXXLKXYSX-MNOVXSKESA-N 2 0 296.365 2.689 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000495085107 382960055 /nfs/dbraw/zinc/96/00/55/382960055.db2.gz OBCCOARXTXCFRU-RVKKMQEKSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000578878045 382962572 /nfs/dbraw/zinc/96/25/72/382962572.db2.gz APYGQKPTYQLVCK-HRCADAONSA-N 2 0 298.434 2.911 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)c1 ZINC000578453457 382923645 /nfs/dbraw/zinc/92/36/45/382923645.db2.gz TVBWDZNZDOXQJC-JONQDZQNSA-N 2 0 274.408 2.801 20 0 CFADRP Cc1cc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc(C)n1 ZINC000421893162 382963062 /nfs/dbraw/zinc/96/30/62/382963062.db2.gz WVPDKCNXDCLAKX-HZUKXOBISA-N 2 0 261.413 2.517 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158368 532963443 /nfs/dbraw/zinc/96/34/43/532963443.db2.gz WOBDSSUIYJBZLB-ZJUUUORDSA-N 2 0 274.767 2.573 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000442923895 382963672 /nfs/dbraw/zinc/96/36/72/382963672.db2.gz RGZVLYMMIBMSLO-CYBMUJFWSA-N 2 0 285.391 2.501 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422707955 382976072 /nfs/dbraw/zinc/97/60/72/382976072.db2.gz BBZSHPWASCNDLX-ZFWWWQNUSA-N 2 0 262.397 2.691 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000579036845 382976709 /nfs/dbraw/zinc/97/67/09/382976709.db2.gz UVCFFIITTPVOBR-UHFFFAOYSA-N 2 0 286.419 2.784 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422727978 382976919 /nfs/dbraw/zinc/97/69/19/382976919.db2.gz IKPUJFIQXXUNOQ-JLSDUUJJSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422762240 382977920 /nfs/dbraw/zinc/97/79/20/382977920.db2.gz MJRIBYGMXNMEQU-OIISXLGYSA-N 2 0 287.451 2.545 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000422754782 382978157 /nfs/dbraw/zinc/97/81/57/382978157.db2.gz GDXBMJBDPZRWER-JKSUJKDBSA-N 2 0 268.445 2.975 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c(C)n1 ZINC000423021917 383016721 /nfs/dbraw/zinc/01/67/21/383016721.db2.gz GQUZODDKZYXQSH-WMLDXEAASA-N 2 0 292.471 2.859 20 0 CFADRP CC[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422780867 382979612 /nfs/dbraw/zinc/97/96/12/382979612.db2.gz HSXJWJCNDKWOBP-MSOLQXFVSA-N 2 0 289.467 2.629 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)C12CCCC2 ZINC000422813512 382980638 /nfs/dbraw/zinc/98/06/38/382980638.db2.gz ZKHUPVXQHFFWOP-FXUDXRNXSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422815974 382982062 /nfs/dbraw/zinc/98/20/62/382982062.db2.gz YVYCUMBOKUPCGH-ZBFHGGJFSA-N 2 0 258.409 2.696 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841488 382983820 /nfs/dbraw/zinc/98/38/20/382983820.db2.gz VZYRRGXVYQOBPO-JYSRZZCRSA-N 3 0 295.515 2.994 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(C)CCCS1 ZINC000422878435 382985165 /nfs/dbraw/zinc/98/51/65/382985165.db2.gz TTZCTMVIOIANBP-CWRNSKLLSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422885022 382985899 /nfs/dbraw/zinc/98/58/99/382985899.db2.gz GHALBUYAUXIOSI-SQWLQELKSA-N 2 0 274.408 2.673 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422887760 382986654 /nfs/dbraw/zinc/98/66/54/382986654.db2.gz ZIKWUUVCMNSJIZ-IRXDYDNUSA-N 3 0 281.488 2.748 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000579140832 382988248 /nfs/dbraw/zinc/98/82/48/382988248.db2.gz SHPINQGTLNCGTC-HUUCEWRRSA-N 2 0 264.388 2.963 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422945936 382989914 /nfs/dbraw/zinc/98/99/14/382989914.db2.gz NWXFJSAJQBHBIN-JMSVASOKSA-N 2 0 262.397 2.788 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@H]3C[NH3+])CC2)CC1 ZINC000422966007 382989997 /nfs/dbraw/zinc/98/99/97/382989997.db2.gz MOHUGNDTVFSHBD-FCCDEINASA-N 3 0 293.499 2.747 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423025116 383017458 /nfs/dbraw/zinc/01/74/58/383017458.db2.gz KQQSBAMORIMKNE-FJJYHAOUSA-N 2 0 268.376 2.617 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422974329 382992357 /nfs/dbraw/zinc/99/23/57/382992357.db2.gz DOXAAQSTGXJOLO-CYBMUJFWSA-N 2 0 293.455 2.831 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422979104 382994285 /nfs/dbraw/zinc/99/42/85/382994285.db2.gz LHLBPIYLUOZAAQ-KGLIPLIRSA-N 2 0 256.434 2.567 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000579238789 382996075 /nfs/dbraw/zinc/99/60/75/382996075.db2.gz XDAGGMUMCCISRZ-ZWKOTPCHSA-N 2 0 272.436 2.894 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000422985689 382996226 /nfs/dbraw/zinc/99/62/26/382996226.db2.gz FUMQXEZREJHNRM-ZVZYQTTQSA-N 2 0 284.403 2.941 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000422987719 382997368 /nfs/dbraw/zinc/99/73/68/382997368.db2.gz IXOUCQYMTPLWLP-XYQBIQKZSA-N 2 0 288.435 2.871 20 0 CFADRP CC(C)C1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422989582 382998417 /nfs/dbraw/zinc/99/84/17/382998417.db2.gz LWPRYYUEHLKNMZ-HPDBWDTBSA-N 2 0 282.472 2.791 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(Br)c1 ZINC000422867157 532965629 /nfs/dbraw/zinc/96/56/29/532965629.db2.gz RRCVWOXNHGZNKM-SFYZADRCSA-N 2 0 277.231 2.726 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422990919 383000067 /nfs/dbraw/zinc/00/00/67/383000067.db2.gz AJRFVCUUSRBWDX-IXDOHACOSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422993228 383000103 /nfs/dbraw/zinc/00/01/03/383000103.db2.gz RFIXNYXQETYGBI-HOCLYGCPSA-N 2 0 276.399 2.865 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](O)Cc1ccccc1 ZINC000422993503 383000271 /nfs/dbraw/zinc/00/02/71/383000271.db2.gz FTOIDRXQBRZXNO-JGNHQEBTSA-N 2 0 296.414 2.713 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422995497 383001086 /nfs/dbraw/zinc/00/10/86/383001086.db2.gz KFSDJCMWJRBNCV-BRWVUGGUSA-N 2 0 281.488 2.604 20 0 CFADRP CCOc1cccc(CC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422994431 383001174 /nfs/dbraw/zinc/00/11/74/383001174.db2.gz HOWXTOWMHVDOFG-UHFFFAOYSA-N 2 0 276.424 2.735 20 0 CFADRP c1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCOC2)cc1 ZINC000422996086 383001547 /nfs/dbraw/zinc/00/15/47/383001547.db2.gz SETWMGUAYLPPKT-AQDBYXPISA-N 2 0 286.419 2.637 20 0 CFADRP c1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCOC2)cc1 ZINC000422996088 383001805 /nfs/dbraw/zinc/00/18/05/383001805.db2.gz SETWMGUAYLPPKT-FNNOIMFVSA-N 2 0 286.419 2.637 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1c[nH+]ccc1N ZINC000422999329 383002914 /nfs/dbraw/zinc/00/29/14/383002914.db2.gz SJSKQIYKKLNXHG-HUUCEWRRSA-N 2 0 290.455 2.655 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCOc2ccccc2Cl)CC1 ZINC000422998132 383002966 /nfs/dbraw/zinc/00/29/66/383002966.db2.gz CGCDYOHORYRFRO-UHFFFAOYSA-N 2 0 282.815 2.826 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422999153 383002975 /nfs/dbraw/zinc/00/29/75/383002975.db2.gz RZGCMOBELRJZHM-IAGOWNOFSA-N 2 0 276.424 2.877 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000423001174 383003859 /nfs/dbraw/zinc/00/38/59/383003859.db2.gz WUJWTNQIBXDXGV-UONOGXRCSA-N 2 0 269.392 2.964 20 0 CFADRP CC(C)CN1CCCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423000923 383004387 /nfs/dbraw/zinc/00/43/87/383004387.db2.gz WFKBFSXFBPZXBY-JCYILVPMSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000423000883 383004724 /nfs/dbraw/zinc/00/47/24/383004724.db2.gz WBLHWDNJJMKHJH-GDBMZVCRSA-N 2 0 258.409 2.739 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423002759 383005966 /nfs/dbraw/zinc/00/59/66/383005966.db2.gz ZNXZVEZFZJOUCI-AWEZNQCLSA-N 2 0 264.413 2.735 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423003492 383006167 /nfs/dbraw/zinc/00/61/67/383006167.db2.gz MIWRBMXKVLOLOR-QXSJWSMHSA-N 2 0 282.472 2.540 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423004909 383006732 /nfs/dbraw/zinc/00/67/32/383006732.db2.gz QGIKMYPUAMZCNQ-AEGPPILISA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423027566 383018270 /nfs/dbraw/zinc/01/82/70/383018270.db2.gz RMMIIXMHRDKQHS-OCCSQVGLSA-N 2 0 295.496 2.961 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000423004512 383006913 /nfs/dbraw/zinc/00/69/13/383006913.db2.gz PHOIQDFYAIWBMH-CYBMUJFWSA-N 2 0 264.413 2.690 20 0 CFADRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)c2ccccc2n1 ZINC000423004760 383007465 /nfs/dbraw/zinc/00/74/65/383007465.db2.gz KOMGOBCMWCEQMA-UHFFFAOYSA-N 2 0 299.418 2.851 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccnn2C)C1 ZINC000245565282 383009870 /nfs/dbraw/zinc/00/98/70/383009870.db2.gz ROTNOMLELZZATC-HOTGVXAUSA-N 2 0 290.455 2.507 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423012943 383010318 /nfs/dbraw/zinc/01/03/18/383010318.db2.gz LONIJFMIBNNREF-ZQIUZPCESA-N 2 0 276.424 2.604 20 0 CFADRP COC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423013172 383011417 /nfs/dbraw/zinc/01/14/17/383011417.db2.gz FICNSDARVLOCEE-TZDAIYRESA-N 2 0 298.377 2.759 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423014497 383011580 /nfs/dbraw/zinc/01/15/80/383011580.db2.gz PGBPIBDSFDCZMZ-LXZKKBNFSA-N 2 0 276.424 2.591 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000423015876 383012871 /nfs/dbraw/zinc/01/28/71/383012871.db2.gz LQLYCZROVUGHCK-ZJUUUORDSA-N 2 0 270.364 2.532 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCCO1 ZINC000423016724 383012931 /nfs/dbraw/zinc/01/29/31/383012931.db2.gz UKEXIJZSPOISGZ-QKPAOTATSA-N 2 0 260.381 2.678 20 0 CFADRP CC(C)CSCCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423018154 383013758 /nfs/dbraw/zinc/01/37/58/383013758.db2.gz YDKUAYHZXHHTOQ-UHFFFAOYSA-N 2 0 258.475 2.873 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423018611 383015387 /nfs/dbraw/zinc/01/53/87/383015387.db2.gz ZKQJFWVFEBPFLX-KGLIPLIRSA-N 2 0 279.403 2.512 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423018675 383015572 /nfs/dbraw/zinc/01/55/72/383015572.db2.gz RSFNUEDHXMLQRV-NHYWBVRUSA-N 2 0 286.366 2.759 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443055219 382965503 /nfs/dbraw/zinc/96/55/03/382965503.db2.gz AYNJOGOYQCZINZ-OWCLPIDISA-N 2 0 268.445 2.643 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000578977070 382971233 /nfs/dbraw/zinc/97/12/33/382971233.db2.gz KISBUGOXJGGKOC-IAGOWNOFSA-N 2 0 296.418 2.751 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C1(C)C ZINC000423045194 383028796 /nfs/dbraw/zinc/02/87/96/383028796.db2.gz CMEGHLSFHSYUDR-APIJFGDWSA-N 2 0 268.445 2.556 20 0 CFADRP CC(C)[C@H](CO)C[NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000550818323 383029583 /nfs/dbraw/zinc/02/95/83/383029583.db2.gz KPXRLVHCVFXHAK-RCCFBDPRSA-N 2 0 290.451 2.676 20 0 CFADRP CCC(CC)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000423049005 383029635 /nfs/dbraw/zinc/02/96/35/383029635.db2.gz XBXBRPUBJKVSRJ-QQXWRGTKSA-N 2 0 280.456 2.843 20 0 CFADRP COCC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(C)o1 ZINC000423049491 383030554 /nfs/dbraw/zinc/03/05/54/383030554.db2.gz XUCHKXGMOLJLND-OCCSQVGLSA-N 2 0 268.401 2.773 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000423047980 383030593 /nfs/dbraw/zinc/03/05/93/383030593.db2.gz HZCDYEONLUPHCM-AWEZNQCLSA-N 2 0 284.407 2.751 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423048162 383030615 /nfs/dbraw/zinc/03/06/15/383030615.db2.gz IFTKFKFMDKHPPL-BQFCYCMXSA-N 2 0 291.483 2.858 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000423050069 383031310 /nfs/dbraw/zinc/03/13/10/383031310.db2.gz LFHJHXKKEOZOQG-HLLBOEOZSA-N 2 0 277.456 2.785 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423053466 383033200 /nfs/dbraw/zinc/03/32/00/383033200.db2.gz SKDMPUBITOAEGF-YUGHNKOSSA-N 2 0 286.419 2.779 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCCCC1 ZINC000423058164 383034073 /nfs/dbraw/zinc/03/40/73/383034073.db2.gz BLBPNXLNQMXAMR-HZPDHXFCSA-N 2 0 282.472 2.951 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000579606452 383034312 /nfs/dbraw/zinc/03/43/12/383034312.db2.gz POWCXTWMTXFSDQ-FPMFFAJLSA-N 2 0 295.452 2.602 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423060641 383035961 /nfs/dbraw/zinc/03/59/61/383035961.db2.gz OUEAKNBBAWRAHY-VQHPVUNQSA-N 2 0 258.409 2.867 20 0 CFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423063125 383037277 /nfs/dbraw/zinc/03/72/77/383037277.db2.gz VNKCOGSKQVKFFN-MNEFBYGVSA-N 2 0 296.414 2.633 20 0 CFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000245826376 383038761 /nfs/dbraw/zinc/03/87/61/383038761.db2.gz AZQLROPENZHAQX-JFIYKMOQSA-N 2 0 289.467 2.579 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423067264 383040015 /nfs/dbraw/zinc/04/00/15/383040015.db2.gz GSBUNRTVTHTLAK-DNDXXGFKSA-N 2 0 274.408 2.926 20 0 CFADRP CC(C)(CN[C@@H]1C[C@H]([NH3+])c2ccccc21)C[NH+]1CCCC1 ZINC000423069092 383040333 /nfs/dbraw/zinc/04/03/33/383040333.db2.gz DDYIDGPAQFTLOD-DLBZAZTESA-N 2 0 287.451 2.843 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000423068668 383040371 /nfs/dbraw/zinc/04/03/71/383040371.db2.gz KKKMBYVYEKCHJS-ZIAGYGMSSA-N 2 0 264.413 2.999 20 0 CFADRP CC[C@H](C)N(C)CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245866621 383042293 /nfs/dbraw/zinc/04/22/93/383042293.db2.gz IREBMHBGYCXZQH-BYNSBNAKSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000423117422 383042790 /nfs/dbraw/zinc/04/27/90/383042790.db2.gz VKKGYVWGXBZNEE-FMKPAKJESA-N 2 0 290.455 2.698 20 0 CFADRP C[C@H](CCCC[NH3+])[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000423164531 383046503 /nfs/dbraw/zinc/04/65/03/383046503.db2.gz SUGWSJXJLRRFOQ-KGLIPLIRSA-N 2 0 256.459 2.723 20 0 CFADRP COCC1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423180335 383047645 /nfs/dbraw/zinc/04/76/45/383047645.db2.gz KPQCXTRITSSWNU-CXMPNGEBSA-N 2 0 274.408 2.926 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000423195866 383048506 /nfs/dbraw/zinc/04/85/06/383048506.db2.gz UBIFBUHINBDSOQ-LBPRGKRZSA-N 2 0 259.180 2.919 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000338784355 383051449 /nfs/dbraw/zinc/05/14/49/383051449.db2.gz XNUVKWNJZBRCJK-IXYNUQLISA-N 2 0 268.445 2.652 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256936 383053308 /nfs/dbraw/zinc/05/33/08/383053308.db2.gz GTBHGKSODFBLEJ-BLLLJJGKSA-N 2 0 262.372 2.792 20 0 CFADRP CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000423261852 383054344 /nfs/dbraw/zinc/05/43/44/383054344.db2.gz LCSFUZLQTBXTQZ-ZBFHGGJFSA-N 2 0 286.423 2.896 20 0 CFADRP CC(C)CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000338797639 383055096 /nfs/dbraw/zinc/05/50/96/383055096.db2.gz YNUYMWVIGHGIEL-GOSISDBHSA-N 2 0 295.515 2.817 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC([NH3+])(CC)CC)C12CCCC2 ZINC000423287346 383057098 /nfs/dbraw/zinc/05/70/98/383057098.db2.gz LRIVACPNNDMZHH-KGLIPLIRSA-N 2 0 268.445 2.831 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423328160 383058774 /nfs/dbraw/zinc/05/87/74/383058774.db2.gz AJHJJUHMZAIHQY-BMFZPTHFSA-N 2 0 250.430 2.957 20 0 CFADRP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353655 383061269 /nfs/dbraw/zinc/06/12/69/383061269.db2.gz BVSUZDZXVWILIO-CGTJXYLNSA-N 2 0 288.435 2.886 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[C@@H]1OC ZINC000423393036 383079768 /nfs/dbraw/zinc/07/97/68/383079768.db2.gz QIERXGGNFMYKNT-IRXDYDNUSA-N 2 0 288.435 2.973 20 0 CFADRP C(C[C@H]1CCC[NH2+]1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423358449 383062706 /nfs/dbraw/zinc/06/27/06/383062706.db2.gz NHXRNCCGFUBHBA-HPUBIQBYSA-N 2 0 280.456 2.989 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423360480 383063943 /nfs/dbraw/zinc/06/39/43/383063943.db2.gz LLYWDRUSCRGUOU-GOEBONIOSA-N 2 0 292.423 2.505 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000423362075 383064117 /nfs/dbraw/zinc/06/41/17/383064117.db2.gz ATUSMCDQKSBICA-MJVIPROJSA-N 2 0 284.350 2.937 20 0 CFADRP C1=C(C[NH2+]C2CCC(OC3CCCC3)CC2)CC[NH2+]C1 ZINC000423361594 383064129 /nfs/dbraw/zinc/06/41/29/383064129.db2.gz XFJSVZIZOJTQAW-UHFFFAOYSA-N 2 0 278.440 2.766 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CN)c1ccc2ccccc2c1 ZINC000423363818 383064808 /nfs/dbraw/zinc/06/48/08/383064808.db2.gz BWGLDMPWPZQECU-RDTXWAMCSA-N 2 0 285.435 2.947 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000423363907 383065004 /nfs/dbraw/zinc/06/50/04/383065004.db2.gz CCSLCFRTHPZTBW-WWGRRREGSA-N 2 0 262.397 2.652 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423364410 383065012 /nfs/dbraw/zinc/06/50/12/383065012.db2.gz APDBCAYBLUGGDL-LJISPDSOSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CN)c1ccc2ccccc2c1 ZINC000423363815 383065058 /nfs/dbraw/zinc/06/50/58/383065058.db2.gz BWGLDMPWPZQECU-KBXCAEBGSA-N 2 0 285.435 2.947 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-n2cccn2)cc1 ZINC000423365731 383066219 /nfs/dbraw/zinc/06/62/19/383066219.db2.gz POAKFGAQRVJKME-GDBMZVCRSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552055008 383067169 /nfs/dbraw/zinc/06/71/69/383067169.db2.gz XAPMCQZAUSJHLZ-IBEHDNSVSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000423370528 383069036 /nfs/dbraw/zinc/06/90/36/383069036.db2.gz GYCFSXNZYJPMEK-IIYDPXPESA-N 2 0 258.409 2.966 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174428 412968921 /nfs/dbraw/zinc/96/89/21/412968921.db2.gz BDCXRPKESBLVNX-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423396446 383080388 /nfs/dbraw/zinc/08/03/88/383080388.db2.gz NVMQDKKTEXUPON-SUNYJGFJSA-N 2 0 298.434 2.829 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000423380701 383073871 /nfs/dbraw/zinc/07/38/71/383073871.db2.gz HMKTZUZJTWKBPC-PBHICJAKSA-N 2 0 260.425 2.904 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423384534 383075868 /nfs/dbraw/zinc/07/58/68/383075868.db2.gz QJIOTPKGZYJWRS-DXCKQFNASA-N 2 0 274.408 2.803 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423384010 383076416 /nfs/dbraw/zinc/07/64/16/383076416.db2.gz FWGBDLXTTHXUEJ-IWCQGFGOSA-N 2 0 288.435 2.820 20 0 CFADRP c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc2c1C[NH2+]C2 ZINC000423386078 383077069 /nfs/dbraw/zinc/07/70/69/383077069.db2.gz LXINZZQLRVUKKP-KZNAEPCWSA-N 2 0 298.430 2.727 20 0 CFADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000579475347 383019551 /nfs/dbraw/zinc/01/95/51/383019551.db2.gz KSHOSFJMWJXLMC-AEFFLSMTSA-N 2 0 299.418 2.847 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(C)CCCCCC1 ZINC000423028731 383019710 /nfs/dbraw/zinc/01/97/10/383019710.db2.gz RANIPYLUFVQEJB-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(-c2ccccc2)n1 ZINC000423030413 383019918 /nfs/dbraw/zinc/01/99/18/383019918.db2.gz JPIWZUSXVGEYNP-WBVHZDCISA-N 2 0 298.434 2.694 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423029707 383020032 /nfs/dbraw/zinc/02/00/32/383020032.db2.gz VCPKMPFYHXAPIM-UONOGXRCSA-N 2 0 282.790 2.980 20 0 CFADRP C[C@@H]1[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000423030183 383020204 /nfs/dbraw/zinc/02/02/04/383020204.db2.gz JKZNTOYEUPLBJO-SPUZQDLCSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423032374 383021260 /nfs/dbraw/zinc/02/12/60/383021260.db2.gz MHGINBZZXZWTIE-YOEHRIQHSA-N 2 0 298.434 2.565 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)c2ccccc21 ZINC000423031938 383021298 /nfs/dbraw/zinc/02/12/98/383021298.db2.gz LTIKXYAZINUSNP-IPELMVKDSA-N 2 0 296.414 2.715 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423032635 383021372 /nfs/dbraw/zinc/02/13/72/383021372.db2.gz FTTIQJKDBCBMNA-HUUCEWRRSA-N 2 0 274.408 2.586 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000338549204 383021973 /nfs/dbraw/zinc/02/19/73/383021973.db2.gz NUHINEXESBHDHT-KRWDZBQOSA-N 2 0 276.424 2.648 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])CCC2)cc1 ZINC000423035206 383022611 /nfs/dbraw/zinc/02/26/11/383022611.db2.gz RCFIZUMOVLDRIC-JKSUJKDBSA-N 2 0 274.408 2.586 20 0 CFADRP COC1CCC(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000423032962 383022654 /nfs/dbraw/zinc/02/26/54/383022654.db2.gz FWARNNFQNIZODD-PRLABOORSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000423034242 383022698 /nfs/dbraw/zinc/02/26/98/383022698.db2.gz PPISWNJMCHUPML-ZTFGCOKTSA-N 2 0 287.451 2.985 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3[NH3+])CCC2)cc1 ZINC000423035204 383022772 /nfs/dbraw/zinc/02/27/72/383022772.db2.gz RCFIZUMOVLDRIC-HOTGVXAUSA-N 2 0 274.408 2.586 20 0 CFADRP C[C@@H](C[NH+](C)C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000579495985 383023274 /nfs/dbraw/zinc/02/32/74/383023274.db2.gz SQDOMNFDBWUANK-INIZCTEOSA-N 2 0 291.483 2.684 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423037106 383023989 /nfs/dbraw/zinc/02/39/89/383023989.db2.gz MJTPWYCOJJJRAL-WXHSDQCUSA-N 2 0 267.442 2.805 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423040196 383024488 /nfs/dbraw/zinc/02/44/88/383024488.db2.gz SMEVWTUWDNOPRW-NFLHVTIKSA-N 2 0 250.308 2.590 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000423039487 383025060 /nfs/dbraw/zinc/02/50/60/383025060.db2.gz QLQHTKRJNDLWPH-WDEREUQCSA-N 2 0 255.431 2.662 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423040026 383025345 /nfs/dbraw/zinc/02/53/45/383025345.db2.gz SFIOAGSRGZPWBH-HJWJTTGWSA-N 2 0 292.398 2.763 20 0 CFADRP C[C@H]([NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000423041759 383026324 /nfs/dbraw/zinc/02/63/24/383026324.db2.gz JRMHCECBVBCTSV-SJCJKPOMSA-N 2 0 274.383 2.959 20 0 CFADRP CC(C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245725813 383026946 /nfs/dbraw/zinc/02/69/46/383026946.db2.gz PMKTVCDTWMKLPC-BJWYYQGGSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423490237 383119365 /nfs/dbraw/zinc/11/93/65/383119365.db2.gz HNTDVTQNPARECN-DZKIICNBSA-N 2 0 284.407 2.650 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000339008825 383119756 /nfs/dbraw/zinc/11/97/56/383119756.db2.gz CHPVWZKQORBKLA-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423493276 383119945 /nfs/dbraw/zinc/11/99/45/383119945.db2.gz PVYGMVMYMNFUCS-QEJZJMRPSA-N 2 0 290.407 2.626 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423494556 383120082 /nfs/dbraw/zinc/12/00/82/383120082.db2.gz AUYVHVCRXHNCCV-SJORKVTESA-N 2 0 298.434 2.867 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C[C@H]1c1ccccc1 ZINC000423492737 383120279 /nfs/dbraw/zinc/12/02/79/383120279.db2.gz OLVUSICEIBDITR-YESZJQIVSA-N 2 0 288.435 2.537 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000423496555 383121292 /nfs/dbraw/zinc/12/12/92/383121292.db2.gz WYWLNVWMMDUPGH-ZMLRMANQSA-N 2 0 253.415 2.538 20 0 CFADRP COCCC[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423497584 383121428 /nfs/dbraw/zinc/12/14/28/383121428.db2.gz GZTMPRPQKRSVCW-GOEBONIOSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423495997 383121467 /nfs/dbraw/zinc/12/14/67/383121467.db2.gz VPMUURSJNFUABQ-QZTJIDSGSA-N 2 0 288.435 2.804 20 0 CFADRP CCc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423495573 383121860 /nfs/dbraw/zinc/12/18/60/383121860.db2.gz UVPUIAPSTUZJAR-MSOLQXFVSA-N 2 0 290.451 2.914 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCO1 ZINC000423500983 383124106 /nfs/dbraw/zinc/12/41/06/383124106.db2.gz CKAXJSBXLLUILX-BPUTZDHNSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnn1C(C)C ZINC000423540973 383126674 /nfs/dbraw/zinc/12/66/74/383126674.db2.gz KGMJOKGFEGAGNT-DRPJVOAASA-N 2 0 290.455 2.811 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423558432 383126974 /nfs/dbraw/zinc/12/69/74/383126974.db2.gz SNUWHZPZPYEMNP-JXEZDRHFSA-N 2 0 250.430 2.789 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423551212 383127913 /nfs/dbraw/zinc/12/79/13/383127913.db2.gz UFKGTYLPQMSRQL-AFIMGQEJSA-N 2 0 285.435 2.911 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246986228 383128218 /nfs/dbraw/zinc/12/82/18/383128218.db2.gz JDSUZIULDAGSSJ-ARFHVFGLSA-N 2 0 276.424 2.835 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CCC1 ZINC000339040122 383128809 /nfs/dbraw/zinc/12/88/09/383128809.db2.gz CTTQKLWZWYXCFJ-CABCVRRESA-N 2 0 277.412 2.725 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H]2CCCO2)CC1)CC1CC1 ZINC000339062265 383136312 /nfs/dbraw/zinc/13/63/12/383136312.db2.gz YNDVTVIPKIOJFZ-GOSISDBHSA-N 2 0 294.483 2.999 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1C ZINC000247070182 383139380 /nfs/dbraw/zinc/13/93/80/383139380.db2.gz OEZTXZTZWOBZHH-DLBZAZTESA-N 2 0 289.467 2.894 20 0 CFADRP Cc1cccc(CC[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000449026916 383139982 /nfs/dbraw/zinc/13/99/82/383139982.db2.gz KHFYYHIHNBGZDB-UHFFFAOYSA-N 2 0 290.451 2.580 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3cccnc3o2)[C@@H](C)C1 ZINC000449031177 383143070 /nfs/dbraw/zinc/14/30/70/383143070.db2.gz USXCKCHKYBLYSJ-BBRMVZONSA-N 2 0 287.407 2.990 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C12CCCC2 ZINC000423398158 383082317 /nfs/dbraw/zinc/08/23/17/383082317.db2.gz UBIPOGVMLGNKFU-APIJFGDWSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423400310 383083228 /nfs/dbraw/zinc/08/32/28/383083228.db2.gz QFJHCVTVVUUHLF-ZENOOKHLSA-N 2 0 272.392 2.951 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cc(C)c(C)o2)CC[NH2+]CC1 ZINC000423400522 383083405 /nfs/dbraw/zinc/08/34/05/383083405.db2.gz FPEKTPYPORHYRW-CYBMUJFWSA-N 2 0 280.412 2.563 20 0 CFADRP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000552406642 383084392 /nfs/dbraw/zinc/08/43/92/383084392.db2.gz HPXISOQZKOXDPE-CRAIPNDOSA-N 2 0 294.483 2.924 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C2CC2)c1 ZINC000423403566 383084630 /nfs/dbraw/zinc/08/46/30/383084630.db2.gz YODZBSOXLLMBKM-SKDZVZGDSA-N 2 0 288.435 2.746 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423408316 383086524 /nfs/dbraw/zinc/08/65/24/383086524.db2.gz XGFXLMFUILCRNG-WTTBNOFXSA-N 2 0 273.424 2.695 20 0 CFADRP Cc1cnn(CCCCC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000246611430 383086858 /nfs/dbraw/zinc/08/68/58/383086858.db2.gz GTFJWIJALGEVEV-IRXDYDNUSA-N 2 0 292.471 2.776 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc2c1CCCN2 ZINC000423416865 383088885 /nfs/dbraw/zinc/08/88/85/383088885.db2.gz RKQSFEYMOVLPOD-CYBMUJFWSA-N 2 0 261.413 2.652 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)NCCC2 ZINC000423418232 383089742 /nfs/dbraw/zinc/08/97/42/383089742.db2.gz UHDUIRIXMFWBPB-JKSUJKDBSA-N 2 0 285.435 2.761 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000423418163 383089830 /nfs/dbraw/zinc/08/98/30/383089830.db2.gz GXARUUOLCMEQDN-JYJNAYRXSA-N 2 0 280.456 2.690 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423417847 383089855 /nfs/dbraw/zinc/08/98/55/383089855.db2.gz GFZAKHZSRUXHHR-VGWMRTNUSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423419998 383090181 /nfs/dbraw/zinc/09/01/81/383090181.db2.gz BIYDDCRUZKCLTK-KGLIPLIRSA-N 2 0 277.412 2.511 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccnc1 ZINC000423425355 383091930 /nfs/dbraw/zinc/09/19/30/383091930.db2.gz DMSCZYUBECACTE-YESZJQIVSA-N 2 0 273.424 2.901 20 0 CFADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427083 383092034 /nfs/dbraw/zinc/09/20/34/383092034.db2.gz FRPSEKWRQIESJT-BYNSBNAKSA-N 2 0 250.430 2.789 20 0 CFADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000423430281 383093819 /nfs/dbraw/zinc/09/38/19/383093819.db2.gz KWALGDAERXYEMM-NWDGAFQWSA-N 2 0 299.484 2.809 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000423430783 383094147 /nfs/dbraw/zinc/09/41/47/383094147.db2.gz IJQFIHINRYLSQN-IVMMDQJWSA-N 2 0 298.434 2.612 20 0 CFADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433627 383094612 /nfs/dbraw/zinc/09/46/12/383094612.db2.gz NGSNERHEYMVSGO-TWMKSMIVSA-N 2 0 258.409 2.890 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCC1 ZINC000423436994 383096184 /nfs/dbraw/zinc/09/61/84/383096184.db2.gz QFAGCBHPMOJVPT-ARFHVFGLSA-N 2 0 250.430 2.933 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423440783 383096944 /nfs/dbraw/zinc/09/69/44/383096944.db2.gz OUABXRDWZSIVFT-APHBMKBZSA-N 2 0 292.373 2.930 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423445590 383098785 /nfs/dbraw/zinc/09/87/85/383098785.db2.gz MUUIYVSOSVFBQU-GLJUWKHASA-N 2 0 287.451 2.863 20 0 CFADRP COCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246747868 383099212 /nfs/dbraw/zinc/09/92/12/383099212.db2.gz RRRQKOZWWJBDOU-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1C(C)C ZINC000423451252 383100819 /nfs/dbraw/zinc/10/08/19/383100819.db2.gz IHDHLXMSMJERIA-RYUDHWBXSA-N 2 0 252.406 2.550 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000423457022 383102748 /nfs/dbraw/zinc/10/27/48/383102748.db2.gz OMJKSLSLWIDXQW-MGPQQGTHSA-N 2 0 294.439 2.913 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423457668 383103154 /nfs/dbraw/zinc/10/31/54/383103154.db2.gz JADBNCJAECNMQE-KCQAQPDRSA-N 2 0 290.407 2.626 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423458352 383103328 /nfs/dbraw/zinc/10/33/28/383103328.db2.gz JQJBTNABBRDKCY-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000423460217 383103757 /nfs/dbraw/zinc/10/37/57/383103757.db2.gz MBLROZQPZWJFEE-MELADBBJSA-N 2 0 292.423 2.872 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423465558 383105739 /nfs/dbraw/zinc/10/57/39/383105739.db2.gz WPPQRJJBEGMHNY-NHYWBVRUSA-N 2 0 291.395 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000246827204 383108996 /nfs/dbraw/zinc/10/89/96/383108996.db2.gz BLEGJRGXDLMVFL-ZIAGYGMSSA-N 2 0 293.430 2.884 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423473486 383109538 /nfs/dbraw/zinc/10/95/38/383109538.db2.gz HGLCMFZVEIXLRK-OKZBNKHCSA-N 2 0 287.451 2.978 20 0 CFADRP CCCOc1cc(CN(C)CCC[NH+](C)C)ccc1OC ZINC000584557387 383112373 /nfs/dbraw/zinc/11/23/73/383112373.db2.gz WCDZBHHBHZDMFD-UHFFFAOYSA-N 2 0 294.439 2.868 20 0 CFADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1Cl)C1CC1)[C@H](C)[NH3+] ZINC000423479450 383113030 /nfs/dbraw/zinc/11/30/30/383113030.db2.gz VHBWWYDWEXUJCO-RWSFTLGLSA-N 2 0 266.816 2.986 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423482108 383114076 /nfs/dbraw/zinc/11/40/76/383114076.db2.gz OUEVXWSJGSUYCS-DZGCQCFKSA-N 2 0 262.397 2.878 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000423482483 383114257 /nfs/dbraw/zinc/11/42/57/383114257.db2.gz XWDXJWVSKCUSCK-QCXCNERSSA-N 2 0 260.372 2.917 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246869402 383114890 /nfs/dbraw/zinc/11/48/90/383114890.db2.gz CLEVRXJWBLOVGT-INMHGKMJSA-N 2 0 287.451 2.510 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423483524 383115236 /nfs/dbraw/zinc/11/52/36/383115236.db2.gz QDOBVTXJNNKGSJ-KBPBESRZSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@H]([NH3+])[C@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423485303 383115828 /nfs/dbraw/zinc/11/58/28/383115828.db2.gz ZBGSZZGVKDMYGC-KBPBESRZSA-N 2 0 283.504 2.991 20 0 CFADRP CCC(CC)(C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424073354 383174978 /nfs/dbraw/zinc/17/49/78/383174978.db2.gz FFRAUJSUSIDOAK-OAHLLOKOSA-N 2 0 297.487 2.698 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@@H](C)O1 ZINC000449108857 383179806 /nfs/dbraw/zinc/17/98/06/383179806.db2.gz WIBYGZTVQOTYDH-CPUCHLNUSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000449108509 383180105 /nfs/dbraw/zinc/18/01/05/383180105.db2.gz RKFONYMQPUVKOS-SFHVURJKSA-N 2 0 293.499 2.713 20 0 CFADRP CN(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248125106 383212761 /nfs/dbraw/zinc/21/27/61/383212761.db2.gz NUOWLJBGOQCOFN-FUHWJXTLSA-N 2 0 287.451 2.539 20 0 CFADRP CC(C)n1cncc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000424134840 383186449 /nfs/dbraw/zinc/18/64/49/383186449.db2.gz OBFFTAOALGMPQB-UHFFFAOYSA-N 2 0 286.423 2.815 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(CCOc3ccc(F)cc3)C2)C1 ZINC000339437492 383196993 /nfs/dbraw/zinc/19/69/93/383196993.db2.gz KNRHXWWAPVPMDG-QGZVFWFLSA-N 2 0 292.398 2.622 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000566725778 383204663 /nfs/dbraw/zinc/20/46/63/383204663.db2.gz CHBIBKTVGZMDSD-DOMZBBRYSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000449043883 383150391 /nfs/dbraw/zinc/15/03/91/383150391.db2.gz AIDCMMLWKPDWLK-QZTJIDSGSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1cc(NC(=O)CCCC[NH+](C)C)ccc1C[NH+](C)C ZINC000566782319 383211144 /nfs/dbraw/zinc/21/11/44/383211144.db2.gz YHGHMGNGBHNPAJ-UHFFFAOYSA-N 2 0 291.439 2.727 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247246880 383156071 /nfs/dbraw/zinc/15/60/71/383156071.db2.gz DTOGVXHHSFYXOM-HRCADAONSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3)CC[C@H]21 ZINC000247269481 383158342 /nfs/dbraw/zinc/15/83/42/383158342.db2.gz YAGHQBVJXHEHNQ-UONOGXRCSA-N 2 0 250.411 2.664 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000449071126 383160475 /nfs/dbraw/zinc/16/04/75/383160475.db2.gz AFTVCGXUOYNTQT-INIZCTEOSA-N 2 0 258.409 2.611 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000449076016 383163119 /nfs/dbraw/zinc/16/31/19/383163119.db2.gz GGVFKEJYBWXKLP-BRSBDYLESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334364 296343161 /nfs/dbraw/zinc/34/31/61/296343161.db2.gz UHKPVVFWIPFCFU-TVFCKZIOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000449083009 383167559 /nfs/dbraw/zinc/16/75/59/383167559.db2.gz RQZFHDJVIQIIED-CABCVRRESA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083912 383167672 /nfs/dbraw/zinc/16/76/72/383167672.db2.gz VXTJOVCFLSJFFE-LXTVHRRPSA-N 2 0 270.486 2.696 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000449082690 383168197 /nfs/dbraw/zinc/16/81/97/383168197.db2.gz PBOAPCMWIGOTEK-ILXRZTDVSA-N 2 0 270.486 2.840 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000248552228 383258888 /nfs/dbraw/zinc/25/88/88/383258888.db2.gz JADVJZXNLNRVRS-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000567291377 383260353 /nfs/dbraw/zinc/26/03/53/383260353.db2.gz ZJZNFIBLQONDNE-HZPDHXFCSA-N 2 0 299.418 2.863 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248623975 383273767 /nfs/dbraw/zinc/27/37/67/383273767.db2.gz CAPLEAZSACZQJG-CYGHRXIMSA-N 2 0 289.467 2.750 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000566850590 383217885 /nfs/dbraw/zinc/21/78/85/383217885.db2.gz JHFAXXCPTIPISL-QAPCUYQASA-N 2 0 290.451 2.613 20 0 CFADRP COc1cc(C)ccc1CN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000449334504 383223283 /nfs/dbraw/zinc/22/32/83/383223283.db2.gz XRRLGOMNSVBDAF-DOTOQJQBSA-N 2 0 288.435 2.920 20 0 CFADRP CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248391051 383233966 /nfs/dbraw/zinc/23/39/66/383233966.db2.gz BWRYFHBNAXRZGM-GVDBMIGSSA-N 2 0 258.409 2.897 20 0 CFADRP CC[C@H](COC)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397892 383234682 /nfs/dbraw/zinc/23/46/82/383234682.db2.gz IJTSJANYIUTFSG-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000248398732 383235087 /nfs/dbraw/zinc/23/50/87/383235087.db2.gz JHFBTENVUTVEFA-VYDXJSESSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000567116369 383243741 /nfs/dbraw/zinc/24/37/41/383243741.db2.gz GEOVROHXGQQEMX-UHFFFAOYSA-N 2 0 289.427 2.734 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000521088853 383285187 /nfs/dbraw/zinc/28/51/87/383285187.db2.gz IZOLBPIOFHOCGN-ZACQAIPSSA-N 2 0 295.515 2.673 20 0 CFADRP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CC1CCCC1 ZINC000567606019 383292560 /nfs/dbraw/zinc/29/25/60/383292560.db2.gz QFFOSCVOAAPNTA-JCYILVPMSA-N 2 0 280.456 2.534 20 0 CFADRP CCCN(CC[C@H]1CCC[N@@H+]1C)[C@H](CC)C(=O)OCC ZINC000248814889 383292942 /nfs/dbraw/zinc/29/29/42/383292942.db2.gz UEMVKOGOTLRNRM-HUUCEWRRSA-N 2 0 284.444 2.524 20 0 CFADRP CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000248831351 383295246 /nfs/dbraw/zinc/29/52/46/383295246.db2.gz HMUHMLXJVSNVEJ-MGNMYUMUSA-N 2 0 299.462 2.825 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)C1CC1 ZINC000567638483 383296229 /nfs/dbraw/zinc/29/62/29/383296229.db2.gz GAYWKAQQUHPXTQ-AEFFLSMTSA-N 2 0 296.418 2.577 20 0 CFADRP CC(C)[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000521442846 383296902 /nfs/dbraw/zinc/29/69/02/383296902.db2.gz UAIDEZJPDKYGBY-OAHLLOKOSA-N 2 0 261.413 2.682 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000567639993 383297187 /nfs/dbraw/zinc/29/71/87/383297187.db2.gz UVHSDMUSSSHWMP-FXQLRMTLSA-N 2 0 268.445 2.559 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000521464489 383297832 /nfs/dbraw/zinc/29/78/32/383297832.db2.gz ZBMWWTZXVSNVGR-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000567647001 383298639 /nfs/dbraw/zinc/29/86/39/383298639.db2.gz KRZAPICMIWQZJX-GOEBONIOSA-N 2 0 289.423 2.620 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000464071322 383308038 /nfs/dbraw/zinc/30/80/38/383308038.db2.gz XEDBGNPNEDIWND-XMTFNYHQSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOC1CCCCCC1 ZINC000567748222 383310214 /nfs/dbraw/zinc/31/02/14/383310214.db2.gz OGTLXPSBDCICOL-KGLIPLIRSA-N 2 0 254.418 2.537 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634680936 383310742 /nfs/dbraw/zinc/31/07/42/383310742.db2.gz FJPRNJFZPJRUQE-YMAMQOFZSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634681595 383310913 /nfs/dbraw/zinc/31/09/13/383310913.db2.gz SQHBVLSLQCZBTP-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1OC ZINC000248991567 383314711 /nfs/dbraw/zinc/31/47/11/383314711.db2.gz NNQBCGAORZIIEV-AQBKWJQSSA-N 2 0 280.456 2.795 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634687680 383319955 /nfs/dbraw/zinc/31/99/55/383319955.db2.gz UXAFNGNEZYZJOU-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@@H]1[NH3+] ZINC000634688620 383319989 /nfs/dbraw/zinc/31/99/89/383319989.db2.gz YKIDVCBAGLEXGE-BBRMVZONSA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634688191 383320119 /nfs/dbraw/zinc/32/01/19/383320119.db2.gz LGCDZGWKLBEPNJ-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3ncccc23)CC[C@H]1[NH3+] ZINC000634688622 383321510 /nfs/dbraw/zinc/32/15/10/383321510.db2.gz YKIDVCBAGLEXGE-CZUORRHYSA-N 2 0 269.392 2.794 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cs2)[C@H](C)C1 ZINC000449481268 383321909 /nfs/dbraw/zinc/32/19/09/383321909.db2.gz RVOIETFETBZMOS-TZMCWYRMSA-N 2 0 252.427 2.876 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000567870757 383325108 /nfs/dbraw/zinc/32/51/08/383325108.db2.gz LNXLYOJRHHOHSS-DJIMGWMZSA-N 2 0 258.409 2.722 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[NH+](C(C)C)CC1 ZINC000450353574 383391665 /nfs/dbraw/zinc/39/16/65/383391665.db2.gz ZMZZDCUALBZGCB-QGZVFWFLSA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000340275378 383399248 /nfs/dbraw/zinc/39/92/48/383399248.db2.gz BVHRYMIXJDLHBZ-ZWKOTPCHSA-N 2 0 293.499 2.810 20 0 CFADRP Cc1c[nH+]ccc1N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479371680 383403398 /nfs/dbraw/zinc/40/33/98/383403398.db2.gz OIRNTZARPYXRAV-GUTXKFCHSA-N 2 0 261.413 2.590 20 0 CFADRP Cc1c[nH+]ccc1N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479371696 383403443 /nfs/dbraw/zinc/40/34/43/383403443.db2.gz OIRNTZARPYXRAV-VNHYZAJKSA-N 2 0 261.413 2.590 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](CC2(C)CC2)CC1 ZINC000568464422 383404362 /nfs/dbraw/zinc/40/43/62/383404362.db2.gz HZKJOZCJISUVKV-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000252157691 383404579 /nfs/dbraw/zinc/40/45/79/383404579.db2.gz NOMZSXLPOBZBKL-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000479445805 383405646 /nfs/dbraw/zinc/40/56/46/383405646.db2.gz VHEOXSSWXNSWIN-MRXNPFEDSA-N 2 0 291.439 2.853 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000525833106 383405720 /nfs/dbraw/zinc/40/57/20/383405720.db2.gz PRDBRCKBBOKMPE-IRXDYDNUSA-N 2 0 273.424 2.997 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CS1 ZINC000252178066 383406138 /nfs/dbraw/zinc/40/61/38/383406138.db2.gz PKMLQRFKOHIWBH-MCIONIFRSA-N 2 0 256.459 2.735 20 0 CFADRP FC1(F)CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000340288374 383407302 /nfs/dbraw/zinc/40/73/02/383407302.db2.gz IYGTYGYIYFHTDW-ZIAGYGMSSA-N 2 0 272.383 2.840 20 0 CFADRP c1ccc2cc(CC[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000479746735 383412206 /nfs/dbraw/zinc/41/22/06/383412206.db2.gz ALCNIOSMQDYHSZ-HDICACEKSA-N 2 0 266.388 2.534 20 0 CFADRP CC(C)(C)c1cccc(OCCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479785029 383412259 /nfs/dbraw/zinc/41/22/59/383412259.db2.gz YNRAVMAQELHEOJ-GASCZTMLSA-N 2 0 288.435 2.514 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)([NH+](C)C)C1 ZINC000249615253 383354178 /nfs/dbraw/zinc/35/41/78/383354178.db2.gz XPSPDTMBVUWWQT-SFFUCWETSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccncc1Cl ZINC000568102420 383358252 /nfs/dbraw/zinc/35/82/52/383358252.db2.gz RUNRGGPWWWRLHJ-ZJUUUORDSA-N 2 0 276.771 2.666 20 0 CFADRP CCCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000249875478 383365743 /nfs/dbraw/zinc/36/57/43/383365743.db2.gz IEFUMDBAUBPOBF-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000340175383 383369065 /nfs/dbraw/zinc/36/90/65/383369065.db2.gz YFBHNNRPCPAESZ-ZBFHGGJFSA-N 2 0 276.424 2.763 20 0 CFADRP c1coc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250084838 383370358 /nfs/dbraw/zinc/37/03/58/383370358.db2.gz LBDDJZFTODPLAT-BZUAXINKSA-N 2 0 262.397 2.723 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340180597 383371827 /nfs/dbraw/zinc/37/18/27/383371827.db2.gz HPKFCZTTXMMQAJ-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000250161124 383372371 /nfs/dbraw/zinc/37/23/71/383372371.db2.gz HODUWODJPQXYFB-GVDBMIGSSA-N 2 0 273.424 2.525 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250645799 383378675 /nfs/dbraw/zinc/37/86/75/383378675.db2.gz KQDJSIKTUYXBIV-GVDBMIGSSA-N 2 0 258.409 2.739 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)C1CC1 ZINC000425433777 383379755 /nfs/dbraw/zinc/37/97/55/383379755.db2.gz OEODIAQCMZRKNA-BBWFWOEESA-N 2 0 282.472 2.902 20 0 CFADRP N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000568252757 383382730 /nfs/dbraw/zinc/38/27/30/383382730.db2.gz QAPBPVVVUUBWOE-GQGLESIBSA-N 2 0 299.418 2.718 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000340229125 383385141 /nfs/dbraw/zinc/38/51/41/383385141.db2.gz SQGPCMCNRDEHMT-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP CC1(C)C(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000251216774 383386500 /nfs/dbraw/zinc/38/65/00/383386500.db2.gz YWXBTTYGKSAWII-OLZOCXBDSA-N 2 0 250.430 2.885 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)on1 ZINC000450468745 383423475 /nfs/dbraw/zinc/42/34/75/383423475.db2.gz PCHDZAFCEUCBAV-HOCLYGCPSA-N 2 0 293.455 2.974 20 0 CFADRP CC(C)N1CCCC[C@@H]1C[N@H+](C)CC1CCOCC1 ZINC000450663070 383480751 /nfs/dbraw/zinc/48/07/51/383480751.db2.gz XUROQLYRWCAPTN-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@]2(C)C[C@H]2c2ccccc2)C1 ZINC000340459508 383424617 /nfs/dbraw/zinc/42/46/17/383424617.db2.gz UXAGDJUMDIMJLZ-LLLHUVSDSA-N 2 0 258.409 2.862 20 0 CFADRP Fc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1F ZINC000252666878 383425454 /nfs/dbraw/zinc/42/54/54/383425454.db2.gz CBALYTLTTWHXAN-NEPJUHHUSA-N 2 0 284.325 2.820 20 0 CFADRP Fc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1F ZINC000252666879 383426596 /nfs/dbraw/zinc/42/65/96/383426596.db2.gz CBALYTLTTWHXAN-RYUDHWBXSA-N 2 0 284.325 2.820 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000252688198 383427978 /nfs/dbraw/zinc/42/79/78/383427978.db2.gz NNHFOCNNJFZNEY-SWLSCSKDSA-N 2 0 258.365 2.863 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)[C@@H]1C ZINC000481990456 383431529 /nfs/dbraw/zinc/43/15/29/383431529.db2.gz JJRVSZIYJVQRKF-SUJAAXHWSA-N 2 0 252.446 2.989 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000482137269 383431605 /nfs/dbraw/zinc/43/16/05/383431605.db2.gz AGTRXUGLWCYZDA-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000526118362 383431815 /nfs/dbraw/zinc/43/18/15/383431815.db2.gz WVOXOLGGCJXVBL-INIZCTEOSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473317 383432960 /nfs/dbraw/zinc/43/29/60/383432960.db2.gz GYUDSJCRWTZITF-SJORKVTESA-N 2 0 292.471 2.618 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634972869 383433583 /nfs/dbraw/zinc/43/35/83/383433583.db2.gz KAHPRIIPPXACHF-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP C[NH+](C)CC1(C[NH2+]Cc2ccc3nccnc3c2)CCCC1 ZINC000634976391 383437342 /nfs/dbraw/zinc/43/73/42/383437342.db2.gz VQPBVSUPCVNBQJ-UHFFFAOYSA-N 2 0 298.434 2.841 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000252894196 383438665 /nfs/dbraw/zinc/43/86/65/383438665.db2.gz ULGUIWMSCYNCAD-BXUZGUMPSA-N 2 0 297.240 2.879 20 0 CFADRP Nc1ccc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)n2)cc1 ZINC000634991308 383447291 /nfs/dbraw/zinc/44/72/91/383447291.db2.gz YRKBNTIXXNKCAK-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998258 383452978 /nfs/dbraw/zinc/45/29/78/383452978.db2.gz CQDRXPCHCPUHNG-DGCLKSJQSA-N 2 0 252.789 2.675 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002525 383458092 /nfs/dbraw/zinc/45/80/92/383458092.db2.gz UATCNRYKGFNGGP-GRYCIOLGSA-N 2 0 289.379 2.572 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000635003865 383459429 /nfs/dbraw/zinc/45/94/29/383459429.db2.gz FSWDPCAFTKCJHD-TUVASFSCSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000635002956 383459449 /nfs/dbraw/zinc/45/94/49/383459449.db2.gz CJMUUKMHKMHZRC-IDMWTJEOSA-N 2 0 284.350 2.510 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000635003489 383460007 /nfs/dbraw/zinc/46/00/07/383460007.db2.gz DLIIJZYQFYUBBQ-UVBJJODRSA-N 2 0 277.387 2.779 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000635002920 383460014 /nfs/dbraw/zinc/46/00/14/383460014.db2.gz BKCJXTNKKNFJSK-ZWZTZDBGSA-N 2 0 298.789 2.507 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004534 383460408 /nfs/dbraw/zinc/46/04/08/383460408.db2.gz IVVXPCUIGOIWDB-YDHLFZDLSA-N 2 0 261.413 2.812 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004851 383460839 /nfs/dbraw/zinc/46/08/39/383460839.db2.gz GSMXJDZGQPVFEX-XJKCOSOUSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+][C@@H](CC[NH2+][C@H]1CCC12CCC2)Cc1ccccc1 ZINC000635006089 383461619 /nfs/dbraw/zinc/46/16/19/383461619.db2.gz KUFXIUUYNOXLFU-HOTGVXAUSA-N 2 0 258.409 2.869 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006142 383461630 /nfs/dbraw/zinc/46/16/30/383461630.db2.gz LBKWGMRXAUXNPX-PBHICJAKSA-N 2 0 269.392 2.692 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000635005929 383461759 /nfs/dbraw/zinc/46/17/59/383461759.db2.gz QLUGNPYCIQSPNY-QUSNUVHPSA-N 2 0 280.456 2.689 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005709 383461908 /nfs/dbraw/zinc/46/19/08/383461908.db2.gz OUUALLGCCVBJDJ-SRVKXCTJSA-N 2 0 268.426 2.925 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000450562875 383462723 /nfs/dbraw/zinc/46/27/23/383462723.db2.gz IJIZNUHKSPLELZ-WCQYABFASA-N 2 0 260.372 2.694 20 0 CFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000635006942 383463083 /nfs/dbraw/zinc/46/30/83/383463083.db2.gz COHNJTXUHKOJLM-CQSZACIVSA-N 2 0 282.391 2.664 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(CO)c1 ZINC000635007146 383463456 /nfs/dbraw/zinc/46/34/56/383463456.db2.gz AFRCHJAHNBOXRW-XJKSGUPXSA-N 2 0 276.424 2.608 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008804 383464082 /nfs/dbraw/zinc/46/40/82/383464082.db2.gz HFAVMFBSBXYHMR-AWEZNQCLSA-N 2 0 281.403 2.887 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCCC2 ZINC000635008074 383464234 /nfs/dbraw/zinc/46/42/34/383464234.db2.gz YXZXOLVPDHLGCM-YHUYYLMFSA-N 2 0 280.456 2.831 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635008048 383464764 /nfs/dbraw/zinc/46/47/64/383464764.db2.gz YHFOCURMFBXYCB-ZOBUZTSGSA-N 2 0 275.440 2.900 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000635008868 383465460 /nfs/dbraw/zinc/46/54/60/383465460.db2.gz WDXIRMNFHJZYHP-WKILWMFISA-N 2 0 287.451 2.763 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000635009225 383465801 /nfs/dbraw/zinc/46/58/01/383465801.db2.gz XIKYIHYBBPJVTR-HUUCEWRRSA-N 2 0 261.413 2.901 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1(C)C ZINC000635009721 383465816 /nfs/dbraw/zinc/46/58/16/383465816.db2.gz HSZISBZJWBKUQD-HZSPNIEDSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635009395 383465892 /nfs/dbraw/zinc/46/58/92/383465892.db2.gz VCLHTFINDLFGBW-UONOGXRCSA-N 2 0 261.413 2.693 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000635008896 383465964 /nfs/dbraw/zinc/46/59/64/383465964.db2.gz FMRLBNWGBZODSP-TZMCWYRMSA-N 2 0 276.428 2.522 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010374 383466565 /nfs/dbraw/zinc/46/65/65/383466565.db2.gz ZJZZDHAWBIYZFJ-IAGOWNOFSA-N 2 0 278.440 2.597 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000635010393 383467075 /nfs/dbraw/zinc/46/70/75/383467075.db2.gz ZOSUMEYAPKVLDE-ZWKOTPCHSA-N 2 0 290.451 2.741 20 0 CFADRP CCCC[C@H](COC)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011535 383467471 /nfs/dbraw/zinc/46/74/71/383467471.db2.gz QAQWOXCCDKURJT-MRXNPFEDSA-N 2 0 276.424 2.627 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000635011573 383467762 /nfs/dbraw/zinc/46/77/62/383467762.db2.gz QWYXGQUIUPHUIA-RTBURBONSA-N 2 0 293.414 2.567 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011545 383468116 /nfs/dbraw/zinc/46/81/16/383468116.db2.gz QHJBSZUYORRXIA-CYBMUJFWSA-N 2 0 270.376 2.646 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCO2 ZINC000635013265 383469189 /nfs/dbraw/zinc/46/91/89/383469189.db2.gz XLMZTGZJGLMMDJ-TZMCWYRMSA-N 2 0 290.407 2.844 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635013147 383469667 /nfs/dbraw/zinc/46/96/67/383469667.db2.gz RAMLKPKHIVMODC-OAGGEKHMSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000635013996 383470326 /nfs/dbraw/zinc/47/03/26/383470326.db2.gz XKRBTOKCUOMVGR-OWCLPIDISA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000635013997 383470774 /nfs/dbraw/zinc/47/07/74/383470774.db2.gz XKRBTOKCUOMVGR-PMPSAXMXSA-N 2 0 280.456 2.846 20 0 CFADRP c1cnc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000635016553 383471617 /nfs/dbraw/zinc/47/16/17/383471617.db2.gz CPXOTPCAUFLPAK-IXDOHACOSA-N 2 0 281.403 2.713 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CNc3ccccc32)[C@H](C)C1 ZINC000635019600 383472331 /nfs/dbraw/zinc/47/23/31/383472331.db2.gz IVYXGWPEKZKRCJ-VYDXJSESSA-N 2 0 287.451 2.906 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)o1 ZINC000569228187 383479464 /nfs/dbraw/zinc/47/94/64/383479464.db2.gz MUQNFOPJTVRPDL-GOEBONIOSA-N 2 0 271.364 2.568 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634950048 383419401 /nfs/dbraw/zinc/41/94/01/383419401.db2.gz HNLXRXSDWZZVRA-OAHLLOKOSA-N 2 0 298.434 2.984 20 0 CFADRP COC1(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000340442074 383420086 /nfs/dbraw/zinc/42/00/86/383420086.db2.gz UIIUYUBFFOQZPS-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)CN1CCO[C@H](C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000255953480 383488165 /nfs/dbraw/zinc/48/81/65/383488165.db2.gz GTBAEHLWLNJBNE-TWMKSMIVSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257715650 383497399 /nfs/dbraw/zinc/49/73/99/383497399.db2.gz URXRUOFYQRHWMH-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257686155 383497631 /nfs/dbraw/zinc/49/76/31/383497631.db2.gz IDFJQIMFTQVESW-CYBMUJFWSA-N 2 0 262.372 2.962 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC000429001048 383504169 /nfs/dbraw/zinc/50/41/69/383504169.db2.gz UDULPLDHLLESBM-LPHOPBHVSA-N 2 0 284.447 2.819 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000261557452 383511289 /nfs/dbraw/zinc/51/12/89/383511289.db2.gz RRCNOIJONLBAQK-CYBMUJFWSA-N 2 0 252.789 2.818 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000528384066 383511458 /nfs/dbraw/zinc/51/14/58/383511458.db2.gz UZCZUZBPSUPEFV-QGZVFWFLSA-N 2 0 293.499 2.525 20 0 CFADRP CCC(C)(C)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000340975635 383516137 /nfs/dbraw/zinc/51/61/37/383516137.db2.gz GNGGOUODQFHHDU-UHFFFAOYSA-N 2 0 283.504 2.771 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc2cccnc21 ZINC000261574462 383516488 /nfs/dbraw/zinc/51/64/88/383516488.db2.gz BDLLLLNVJNDIMS-MRXNPFEDSA-N 2 0 257.381 2.698 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000261585407 383521193 /nfs/dbraw/zinc/52/11/93/383521193.db2.gz IKMJEXCQKOABKT-DOTOQJQBSA-N 2 0 258.409 2.796 20 0 CFADRP CC1(C)CC(C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000528403277 383522493 /nfs/dbraw/zinc/52/24/93/383522493.db2.gz JTKCXDGFOSOLQQ-UHFFFAOYSA-N 2 0 259.397 2.640 20 0 CFADRP FC(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261613678 383529164 /nfs/dbraw/zinc/52/91/64/383529164.db2.gz SVUYFHSCLGCQTL-KBPBESRZSA-N 2 0 266.335 2.666 20 0 CFADRP FC(F)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261613684 383529583 /nfs/dbraw/zinc/52/95/83/383529583.db2.gz SVUYFHSCLGCQTL-ZIAGYGMSSA-N 2 0 266.335 2.666 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(N)c2)C[C@@H]1C ZINC000261648010 383535926 /nfs/dbraw/zinc/53/59/26/383535926.db2.gz HHCZPJYYNGQKKA-XJKSGUPXSA-N 2 0 261.413 2.573 20 0 CFADRP c1ccc2c(c1)CC([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000261648709 383536805 /nfs/dbraw/zinc/53/68/05/383536805.db2.gz QCPSEWRRYVZERR-KZNAEPCWSA-N 2 0 270.420 2.664 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000261656466 383538717 /nfs/dbraw/zinc/53/87/17/383538717.db2.gz BJOUYYUSPRWWFM-LLVKDONJSA-N 2 0 265.426 2.581 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488450250 383543996 /nfs/dbraw/zinc/54/39/96/383543996.db2.gz RQJFOIZPNSKHNG-ZIAGYGMSSA-N 2 0 258.475 2.838 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000261893552 383576952 /nfs/dbraw/zinc/57/69/52/383576952.db2.gz UJKZOUNNAWSUDE-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261906036 383577793 /nfs/dbraw/zinc/57/77/93/383577793.db2.gz WYHIEPNKTUTRPA-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000341134690 383579558 /nfs/dbraw/zinc/57/95/58/383579558.db2.gz XRLJADLKFCMADB-DLBZAZTESA-N 2 0 295.515 2.771 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261935263 383582928 /nfs/dbraw/zinc/58/29/28/383582928.db2.gz DDGWYFOUVSLUII-ZBFHGGJFSA-N 2 0 262.372 2.615 20 0 CFADRP Cc1nc2ccc(CN3CC[C@H]([NH3+])[C@@H](C)C3)cc2s1 ZINC000261951860 383586103 /nfs/dbraw/zinc/58/61/03/383586103.db2.gz OAIINUUAJMSTRZ-GWCFXTLKSA-N 2 0 275.421 2.774 20 0 CFADRP c1ccc(CSCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261994259 383592671 /nfs/dbraw/zinc/59/26/71/383592671.db2.gz KOANRHRQFLTVOF-MRXNPFEDSA-N 2 0 276.449 2.605 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000570315416 383592764 /nfs/dbraw/zinc/59/27/64/383592764.db2.gz OOHZEFYRYOXWKH-OKILXGFUSA-N 2 0 289.423 2.560 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000262006619 383593400 /nfs/dbraw/zinc/59/34/00/383593400.db2.gz RTOYJVWNFIRBQN-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP Cc1nc([C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cs1 ZINC000262029334 383596095 /nfs/dbraw/zinc/59/60/95/383596095.db2.gz WZIGNNHZBXZANB-TZMCWYRMSA-N 2 0 265.426 2.588 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000430725480 383597494 /nfs/dbraw/zinc/59/74/94/383597494.db2.gz UARBFNWGRGPBRA-OAGGEKHMSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c(C)o1 ZINC000570394215 383599175 /nfs/dbraw/zinc/59/91/75/383599175.db2.gz ZSCSGKILXBLWSD-HNNXBMFYSA-N 2 0 293.455 2.575 20 0 CFADRP c1ccc(CSCC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000430765531 383599327 /nfs/dbraw/zinc/59/93/27/383599327.db2.gz FQONUMZAHXCEMR-UHFFFAOYSA-N 2 0 278.465 2.995 20 0 CFADRP FCC1CC[NH+](C/C=C\C[NH+]2CCC(CF)CC2)CC1 ZINC000451394064 383607359 /nfs/dbraw/zinc/60/73/59/383607359.db2.gz NXEUIOUDJYKDAH-UPHRSURJSA-N 2 0 286.410 2.906 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCSCc3ccccc3)C[C@H]21 ZINC000261753426 383553888 /nfs/dbraw/zinc/55/38/88/383553888.db2.gz CHMUCZXYQUAACI-BRWVUGGUSA-N 2 0 290.476 2.979 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)ccc2n1 ZINC000261766594 383555282 /nfs/dbraw/zinc/55/52/82/383555282.db2.gz VLDOZBAVSZRKKG-GOSISDBHSA-N 2 0 281.403 2.729 20 0 CFADRP Cc1cnc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000341077473 383556149 /nfs/dbraw/zinc/55/61/49/383556149.db2.gz LLPZAHJXVQKTEH-GJZGRUSLSA-N 2 0 292.471 2.576 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261776042 383557917 /nfs/dbraw/zinc/55/79/17/383557917.db2.gz FCOKLNIHJJADQU-GOSISDBHSA-N 2 0 298.434 2.566 20 0 CFADRP CC(C)(C)c1ncc(CN2CC[C@](C)(C[NH3+])C2)s1 ZINC000261784718 383559811 /nfs/dbraw/zinc/55/98/11/383559811.db2.gz NDSQHMATMUGMLU-CQSZACIVSA-N 2 0 267.442 2.611 20 0 CFADRP CC1(C)Cc2cccc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)c2O1 ZINC000261787324 383560069 /nfs/dbraw/zinc/56/00/69/383560069.db2.gz XNMKZDGYRJKHKH-GDBMZVCRSA-N 2 0 286.419 2.584 20 0 CFADRP Cc1cnc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)s1 ZINC000261794436 383561433 /nfs/dbraw/zinc/56/14/33/383561433.db2.gz GLFYHMHAUJLLHC-UHFFFAOYSA-N 2 0 279.453 2.631 20 0 CFADRP FC(F)(F)c1cccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261856078 383571696 /nfs/dbraw/zinc/57/16/96/383571696.db2.gz XIFVVPKYZBTZPT-GXTWGEPZSA-N 2 0 284.325 2.889 20 0 CFADRP CSc1ccc(OCC[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430936672 383613323 /nfs/dbraw/zinc/61/33/23/383613323.db2.gz VRPMSCZLHDHDAO-CYBMUJFWSA-N 2 0 294.464 2.847 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430936735 383613744 /nfs/dbraw/zinc/61/37/44/383613744.db2.gz WHTBSISSXUQEEB-AWEZNQCLSA-N 2 0 266.816 2.814 20 0 CFADRP CCc1cccc(OCC[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430933206 383614054 /nfs/dbraw/zinc/61/40/54/383614054.db2.gz HPDQXXCYZFJXIJ-CQSZACIVSA-N 2 0 276.424 2.687 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430948244 383615291 /nfs/dbraw/zinc/61/52/91/383615291.db2.gz HRWMDSWWNZGZTM-CYBMUJFWSA-N 2 0 282.815 2.650 20 0 CFADRP C[C@@]1(c2ccccc2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262295978 383615686 /nfs/dbraw/zinc/61/56/86/383615686.db2.gz WTQAAVPNVALRGY-QGZVFWFLSA-N 2 0 258.409 2.650 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccccc2)CC1 ZINC000570579143 383616015 /nfs/dbraw/zinc/61/60/15/383616015.db2.gz CESODMCNUWYPQY-QZTJIDSGSA-N 2 0 290.451 2.569 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@@H]21 ZINC000262372280 383618309 /nfs/dbraw/zinc/61/83/09/383618309.db2.gz XNZNOKQJPOCAPG-BHYGNILZSA-N 2 0 297.402 2.901 20 0 CFADRP CCc1ccc(CC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431014832 383623508 /nfs/dbraw/zinc/62/35/08/383623508.db2.gz PXMMBORXADCLGH-UHFFFAOYSA-N 2 0 272.436 2.867 20 0 CFADRP C1=C(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000645849336 383768648 /nfs/dbraw/zinc/76/86/48/383768648.db2.gz FQBWAQITAIVIAH-UHFFFAOYSA-N 2 0 292.467 2.921 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453121265 383774103 /nfs/dbraw/zinc/77/41/03/383774103.db2.gz DSIWHPJMBBLCSG-IAGOWNOFSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)o1 ZINC000571030970 383660971 /nfs/dbraw/zinc/66/09/71/383660971.db2.gz XQEKXOKWHBVVRA-CQSZACIVSA-N 2 0 293.455 2.573 20 0 CFADRP CC(C)[C@H](CO)[C@@H]([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000451600513 383665636 /nfs/dbraw/zinc/66/56/36/383665636.db2.gz RYHOKLUHTSZYKA-IRXDYDNUSA-N 2 0 284.488 2.741 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCCc1cccnc1)C[NH+](C)C ZINC000453248880 383815581 /nfs/dbraw/zinc/81/55/81/383815581.db2.gz XTGQVUZVLWRONQ-GJZGRUSLSA-N 2 0 263.429 2.580 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@@H]1CCC[NH+]1C ZINC000640532194 383818375 /nfs/dbraw/zinc/81/83/75/383818375.db2.gz BIVWPNLBBOLDNA-KRWDZBQOSA-N 3 0 281.488 2.669 20 0 CFADRP CC(C)OCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531967 383818902 /nfs/dbraw/zinc/81/89/02/383818902.db2.gz MUSZWQFJJSFEAF-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP CC(C)COCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534689 383820070 /nfs/dbraw/zinc/82/00/70/383820070.db2.gz RUZDYSABDQZEPO-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCO[C@@H]1CC1(F)F ZINC000640534074 383820133 /nfs/dbraw/zinc/82/01/33/383820133.db2.gz KRQIVAQGTSLERC-CQSZACIVSA-N 2 0 290.398 2.609 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC1CCC(=O)CC1 ZINC000640534862 383820260 /nfs/dbraw/zinc/82/02/60/383820260.db2.gz WXRCHKNWJSNKOE-UHFFFAOYSA-N 2 0 280.456 2.944 20 0 CFADRP CC1CCC(O)(C[NH2+]C[C@@H]2CCCCN2C2CC2)CC1 ZINC000572834950 383823620 /nfs/dbraw/zinc/82/36/20/383823620.db2.gz JIEBDKGEBCAGAC-WIHSUSGWSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000264824060 383786967 /nfs/dbraw/zinc/78/69/67/383786967.db2.gz GQGZTSOXDSKXKP-OAHLLOKOSA-N 2 0 298.434 2.591 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000572541788 383791339 /nfs/dbraw/zinc/79/13/39/383791339.db2.gz JNIPRDNQSDHVRA-HRCADAONSA-N 2 0 276.424 2.930 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000572900245 383835796 /nfs/dbraw/zinc/83/57/96/383835796.db2.gz ZTMUZOJNAVIWGX-QKEWWQLBSA-N 2 0 264.335 2.790 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000646083881 383857033 /nfs/dbraw/zinc/85/70/33/383857033.db2.gz HURDKGCZCLNENQ-MRXNPFEDSA-N 2 0 282.472 2.661 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc(C)c1O ZINC000453593172 383863079 /nfs/dbraw/zinc/86/30/79/383863079.db2.gz GLVKTHYQFILGDQ-UHFFFAOYSA-N 2 0 276.424 2.973 20 0 CFADRP COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cc(OC)c1 ZINC000453598692 383867095 /nfs/dbraw/zinc/86/70/95/383867095.db2.gz JMSTUFIRUQMVAD-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000453598664 383867139 /nfs/dbraw/zinc/86/71/39/383867139.db2.gz PZCUIYXTNHZUAU-UHFFFAOYSA-N 2 0 299.418 2.904 20 0 CFADRP CC(C)Cn1cc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453597548 383867762 /nfs/dbraw/zinc/86/77/62/383867762.db2.gz OCTFLNJLLUQKQB-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP CCN(C)c1ccc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453597023 383868133 /nfs/dbraw/zinc/86/81/33/383868133.db2.gz MVIZCWICKMQFHX-UHFFFAOYSA-N 2 0 290.455 2.502 20 0 CFADRP COc1cccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1OC ZINC000453603373 383872215 /nfs/dbraw/zinc/87/22/15/383872215.db2.gz XZWXFRFOKUGPAG-UHFFFAOYSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000646106686 383874750 /nfs/dbraw/zinc/87/47/50/383874750.db2.gz LTLCCUZNWILFIR-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000573355343 383916672 /nfs/dbraw/zinc/91/66/72/383916672.db2.gz SMRXRHDPSLCJFF-CYBMUJFWSA-N 2 0 250.386 2.580 20 0 CFADRP [NH3+]CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000573377888 383920326 /nfs/dbraw/zinc/92/03/26/383920326.db2.gz YDGHJDNRDSFBFB-OWOJBTEDSA-N 2 0 262.372 2.900 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422808242 533019645 /nfs/dbraw/zinc/01/96/45/533019645.db2.gz NZLRAUSNIHXGPN-SFHVURJKSA-N 2 0 299.418 2.592 20 0 CFADRP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC000573772641 383988375 /nfs/dbraw/zinc/98/83/75/383988375.db2.gz SPLMLFZUCWISID-QZTJIDSGSA-N 2 0 296.499 2.740 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000532195637 383990285 /nfs/dbraw/zinc/99/02/85/383990285.db2.gz VSZNNWZBIYYGFA-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000532211560 383991733 /nfs/dbraw/zinc/99/17/33/383991733.db2.gz FEYZPUHLYFUULX-MRXNPFEDSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000532215470 383993960 /nfs/dbraw/zinc/99/39/60/383993960.db2.gz SLVNXWBUDHIVSP-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000573831084 383998425 /nfs/dbraw/zinc/99/84/25/383998425.db2.gz MFIHOAZTVQWJKB-AGERRDQYSA-N 2 0 288.435 2.712 20 0 CFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000573844772 384000101 /nfs/dbraw/zinc/00/01/01/384000101.db2.gz KLHFMJMLPJGSOC-VXGBXAGGSA-N 2 0 290.386 2.535 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000573555747 383948207 /nfs/dbraw/zinc/94/82/07/383948207.db2.gz ZICPJMJJETZTAL-ZDUSSCGKSA-N 2 0 292.423 2.662 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000531978356 383951893 /nfs/dbraw/zinc/95/18/93/383951893.db2.gz KCQQHGHJFBAZGH-LZDSYCOUSA-N 2 0 276.399 2.989 20 0 CFADRP CC[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+](CC)CC ZINC000265609282 383957620 /nfs/dbraw/zinc/95/76/20/383957620.db2.gz OAYAOCLKZOTPDF-INIZCTEOSA-N 2 0 291.439 2.807 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000573590009 383958747 /nfs/dbraw/zinc/95/87/47/383958747.db2.gz VYGBTSWBVGSLHA-AWEZNQCLSA-N 2 0 276.424 2.561 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000438176494 383964067 /nfs/dbraw/zinc/96/40/67/383964067.db2.gz KRAFLFTYIAQKHF-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)[NH+](CCC[NH2+]CC[C@@H]1CCOC1)C(C)C ZINC000438192264 383969355 /nfs/dbraw/zinc/96/93/55/383969355.db2.gz QFMCJJYDGNAUNI-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000573911315 384009761 /nfs/dbraw/zinc/00/97/61/384009761.db2.gz BOWDGNIHSFEXIM-MRXNPFEDSA-N 2 0 292.467 2.800 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000532447989 384027778 /nfs/dbraw/zinc/02/77/78/384027778.db2.gz BZGLQAIRVIPETE-INIZCTEOSA-N 2 0 296.842 2.885 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422777133 291843894 /nfs/dbraw/zinc/84/38/94/291843894.db2.gz FKEBXTYLQDCQGQ-NVXWUHKLSA-N 2 0 260.425 2.824 20 0 CFADRP CC[C@H](F)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000440491758 384088291 /nfs/dbraw/zinc/08/82/91/384088291.db2.gz HPLUMVYXSLOMPU-RDBSUJKOSA-N 2 0 256.409 2.977 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000574397703 384089379 /nfs/dbraw/zinc/08/93/79/384089379.db2.gz HWFGZYICWRGMOS-VQHPVUNQSA-N 2 0 292.467 2.798 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000574489553 384104477 /nfs/dbraw/zinc/10/44/77/384104477.db2.gz LYRPMPASOPIFEU-KLHDSHLOSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1nsc(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000574530230 384111144 /nfs/dbraw/zinc/11/11/44/384111144.db2.gz USPJYEUBNGXXBF-UHFFFAOYSA-N 2 0 281.469 2.924 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000574531390 384113284 /nfs/dbraw/zinc/11/32/84/384113284.db2.gz BCBCYDWEKMBBFF-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H](F)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000440515359 384093906 /nfs/dbraw/zinc/09/39/06/384093906.db2.gz YVXFVNBBNZKDNW-CVEARBPZSA-N 2 0 279.403 2.583 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000574422044 384094069 /nfs/dbraw/zinc/09/40/69/384094069.db2.gz HFKSUDOKSWGUEP-HAQNSBGRSA-N 2 0 279.453 2.875 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000574877260 384157890 /nfs/dbraw/zinc/15/78/90/384157890.db2.gz LWWATMQUSFLGQL-KRWDZBQOSA-N 2 0 292.398 2.670 20 0 CFADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071148949 412977918 /nfs/dbraw/zinc/97/79/18/412977918.db2.gz SSFNLKXKRZTGFY-INIZCTEOSA-N 2 0 289.467 2.708 20 0 CFADRP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)nc2c1CCC2 ZINC000574777007 384144629 /nfs/dbraw/zinc/14/46/29/384144629.db2.gz YIRIKBYGHDGCBD-UHFFFAOYSA-N 2 0 287.451 2.926 20 0 CFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000266746889 384230765 /nfs/dbraw/zinc/23/07/65/384230765.db2.gz BIDBNLKNTCSSIV-HNNXBMFYSA-N 2 0 296.842 2.837 20 0 CFADRP CC(C)(C)c1ccnc(NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000641615289 384240975 /nfs/dbraw/zinc/24/09/75/384240975.db2.gz LCEJTGGREKTOAG-OAHLLOKOSA-N 2 0 291.439 2.638 20 0 CFADRP CO[C@@](C)(C[NH+]1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000637888246 384249578 /nfs/dbraw/zinc/24/95/78/384249578.db2.gz BFDJJEKINRSXAT-KRWDZBQOSA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2OC)[C@H](C)C1 ZINC000266877779 384252037 /nfs/dbraw/zinc/25/20/37/384252037.db2.gz UZVDJMPTEIOOSD-CZUORRHYSA-N 2 0 294.414 2.996 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637904683 384265117 /nfs/dbraw/zinc/26/51/17/384265117.db2.gz FWWHKHCZBPAOTN-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@@](C)(C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC000637957001 384307588 /nfs/dbraw/zinc/30/75/88/384307588.db2.gz CXDMVUDOMWLSGN-INIZCTEOSA-N 2 0 270.461 2.854 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637958099 384308867 /nfs/dbraw/zinc/30/88/67/384308867.db2.gz MAKHOFNYULNGAG-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281124692 195114013 /nfs/dbraw/zinc/11/40/13/195114013.db2.gz DLAGFQJBDNIVCJ-LRDDRELGSA-N 2 0 277.387 2.603 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(SC)o2)CC1 ZINC000641716481 384288301 /nfs/dbraw/zinc/28/83/01/384288301.db2.gz LPXZCFYBIWSFGB-UHFFFAOYSA-N 2 0 268.426 2.823 20 0 CFADRP Cc1n[nH]cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267270701 384342041 /nfs/dbraw/zinc/34/20/41/384342041.db2.gz MJTKTBPEBPYZJN-KBXCAEBGSA-N 2 0 298.434 2.718 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](CC2CCSCC2)CC1 ZINC000637999879 384342535 /nfs/dbraw/zinc/34/25/35/384342535.db2.gz PLXXOSDLAXBZKU-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000637999844 384343261 /nfs/dbraw/zinc/34/32/61/384343261.db2.gz PCHFOJFMICZZOZ-ZFWWWQNUSA-N 2 0 256.434 2.510 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277584815 384346050 /nfs/dbraw/zinc/34/60/50/384346050.db2.gz UHJUCUGWHXKQMX-QGZVFWFLSA-N 2 0 276.424 2.749 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000641805365 384373993 /nfs/dbraw/zinc/37/39/93/384373993.db2.gz NICQXJPCWBAUGW-IAGOWNOFSA-N 2 0 284.403 2.934 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000641797825 384362652 /nfs/dbraw/zinc/36/26/52/384362652.db2.gz JDOSZTCCOJKPKW-JSGCOSHPSA-N 2 0 285.391 2.819 20 0 CFADRP CCc1nc(C)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000641798526 384365628 /nfs/dbraw/zinc/36/56/28/384365628.db2.gz NNKRTQHTNRVXLO-ZIAGYGMSSA-N 2 0 277.412 2.509 20 0 CFADRP CCCc1nc(C)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000641798635 384365780 /nfs/dbraw/zinc/36/57/80/384365780.db2.gz OVHYDAOXHLWDRN-HUUCEWRRSA-N 2 0 291.439 2.900 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000641800853 384367635 /nfs/dbraw/zinc/36/76/35/384367635.db2.gz HHFZMLQDSGOCAL-CHWSQXEVSA-N 2 0 286.778 2.573 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000641808978 384374682 /nfs/dbraw/zinc/37/46/82/384374682.db2.gz VGVMBPPKPBMKML-KGLIPLIRSA-N 2 0 266.816 2.988 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000641800974 384368803 /nfs/dbraw/zinc/36/88/03/384368803.db2.gz KASMXOJDWQCTRA-OWCLPIDISA-N 2 0 278.440 2.552 20 0 CFADRP CC1(C)c2ccccc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000641801235 384369137 /nfs/dbraw/zinc/36/91/37/384369137.db2.gz OHTOPOJGYSTLJZ-CQSZACIVSA-N 2 0 258.409 2.779 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCc1c(F)cccc1F ZINC000641802161 384370593 /nfs/dbraw/zinc/37/05/93/384370593.db2.gz YJOZOVDNIASIGI-ZIAGYGMSSA-N 2 0 268.351 2.613 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000641803007 384371567 /nfs/dbraw/zinc/37/15/67/384371567.db2.gz QSWIRFRXJNPIPF-STQMWFEESA-N 2 0 286.778 2.573 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCc1c(F)cccc1Cl ZINC000641803346 384371652 /nfs/dbraw/zinc/37/16/52/384371652.db2.gz SMTLVGUVBQABQM-STQMWFEESA-N 2 0 270.779 2.737 20 0 CFADRP Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802202 384371820 /nfs/dbraw/zinc/37/18/20/384371820.db2.gz ZKCBGTRNGDBBCR-LSDHHAIUSA-N 2 0 261.413 2.729 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638077913 384395390 /nfs/dbraw/zinc/39/53/90/384395390.db2.gz YHCKGDDGHPSUAC-HNNXBMFYSA-N 2 0 276.424 2.728 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000267467738 384396919 /nfs/dbraw/zinc/39/69/19/384396919.db2.gz WENNLQZHDCVFEE-JQFCIGGWSA-N 2 0 294.414 2.521 20 0 CFADRP CO[C@](C)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000638104569 384418545 /nfs/dbraw/zinc/41/85/45/384418545.db2.gz JQLQEQAYMIFCRP-IAGOWNOFSA-N 2 0 280.456 2.752 20 0 CFADRP CC[C@@](C)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000638104617 384419100 /nfs/dbraw/zinc/41/91/00/384419100.db2.gz LABJYRGVBUARFC-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP C(C[C@H]1CCO1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104288 384419734 /nfs/dbraw/zinc/41/97/34/384419734.db2.gz GDTOTUGPBXZFJT-CVEARBPZSA-N 2 0 266.429 2.506 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCSCC2)C[C@H]1C ZINC000638110118 384420521 /nfs/dbraw/zinc/42/05/21/384420521.db2.gz ITTCIBURAHEKRM-UKRRQHHQSA-N 2 0 270.486 2.934 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@](C)(OC)C2CC2)C[C@H]1C ZINC000638110708 384423413 /nfs/dbraw/zinc/42/34/13/384423413.db2.gz OVOXMBBFJFSNSD-KBMXLJTQSA-N 2 0 268.445 2.606 20 0 CFADRP CO[C@](C)(C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000638121082 384433785 /nfs/dbraw/zinc/43/37/85/384433785.db2.gz JFFIEPAVJIBFIY-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2cccn2)cc1 ZINC000289419607 197338427 /nfs/dbraw/zinc/33/84/27/197338427.db2.gz IXANPECDAIJLIR-UHFFFAOYSA-N 2 0 286.423 2.646 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000638176721 384471226 /nfs/dbraw/zinc/47/12/26/384471226.db2.gz GTUUONRFCCGXIW-GJZGRUSLSA-N 2 0 250.430 2.839 20 0 CFADRP CO[C@](C)(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000638177181 384471441 /nfs/dbraw/zinc/47/14/41/384471441.db2.gz ANHKHPIWGRCBIP-ZTFGCOKTSA-N 2 0 292.467 2.750 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180373 384473608 /nfs/dbraw/zinc/47/36/08/384473608.db2.gz KJRPDWVODYPFQT-IDCNUPLLSA-N 2 0 294.483 2.996 20 0 CFADRP COc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278102773 384475622 /nfs/dbraw/zinc/47/56/22/384475622.db2.gz AFDSPRYTPZEVKR-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643031021 384479207 /nfs/dbraw/zinc/47/92/07/384479207.db2.gz FXRCFMKCEXQUET-IAQYHMDHSA-N 2 0 271.339 2.562 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643031153 384480911 /nfs/dbraw/zinc/48/09/11/384480911.db2.gz HXSVKOGZLVQZAI-RHSMWYFYSA-N 2 0 281.403 2.985 20 0 CFADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000643032776 384481125 /nfs/dbraw/zinc/48/11/25/384481125.db2.gz HZOYQLBLABVGKH-LRDDRELGSA-N 2 0 285.366 2.871 20 0 CFADRP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643058162 384488595 /nfs/dbraw/zinc/48/85/95/384488595.db2.gz JWJROZMPMTXRQJ-OLZOCXBDSA-N 2 0 262.372 2.744 20 0 CFADRP COC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000278326680 384529762 /nfs/dbraw/zinc/52/97/62/384529762.db2.gz ASCWGHHZQRLURF-OAHLLOKOSA-N 2 0 284.831 2.959 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC1CCSCC1 ZINC000638303764 384545674 /nfs/dbraw/zinc/54/56/74/384545674.db2.gz VCBIZNDYGMTWBE-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]CCC[NH+]1CCCCC1)OC ZINC000638307753 384547335 /nfs/dbraw/zinc/54/73/35/384547335.db2.gz KPDSUNCGGWQVJE-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[N@H+](CCC[NH2+]CCC[C@H]1CCO1)Cc1ccccc1 ZINC000638310242 384549255 /nfs/dbraw/zinc/54/92/55/384549255.db2.gz REQPKMKDEISOLK-KRWDZBQOSA-N 2 0 276.424 2.667 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000643296050 384555113 /nfs/dbraw/zinc/55/51/13/384555113.db2.gz AKFNZNCSSPPLFY-UHFFFAOYSA-N 2 0 272.396 2.525 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000643296046 384555129 /nfs/dbraw/zinc/55/51/29/384555129.db2.gz UWUCSYWKYLIMOJ-UHFFFAOYSA-N 2 0 279.453 2.594 20 0 CFADRP CCC[C@H](C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)OC ZINC000638365486 384590587 /nfs/dbraw/zinc/59/05/87/384590587.db2.gz DUUSAZBOZUHZIU-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCCC1 ZINC000638357079 384580982 /nfs/dbraw/zinc/58/09/82/384580982.db2.gz VDTNMCPPHATALB-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)N1CCCC[C@@H]1C ZINC000638360318 384581857 /nfs/dbraw/zinc/58/18/57/384581857.db2.gz HYWMBZOFCBRMIP-DGAVXFQQSA-N 2 0 256.459 2.733 20 0 CFADRP CC(C)[C@@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCC(C)CC1 ZINC000638361318 384584433 /nfs/dbraw/zinc/58/44/33/384584433.db2.gz MHLPHIWEJJEPNG-DLBZAZTESA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC(n2cccn2)C1 ZINC000638366799 384592331 /nfs/dbraw/zinc/59/23/31/384592331.db2.gz RQIDRHLFZFRRJS-KLAILNCOSA-N 2 0 290.455 2.831 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000638367081 384593678 /nfs/dbraw/zinc/59/36/78/384593678.db2.gz CCURYUVNDJLTCW-IRXDYDNUSA-N 2 0 258.409 2.754 20 0 CFADRP CO[C@H](C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000638369341 384595157 /nfs/dbraw/zinc/59/51/57/384595157.db2.gz GISVHHYWJIZAKI-HLLBOEOZSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1ccnc(NCc2ccccc2CN2CCOCC2)c1 ZINC000268311015 384597901 /nfs/dbraw/zinc/59/79/01/384597901.db2.gz JZDAJDWNFOGRFC-UHFFFAOYSA-N 2 0 297.402 2.834 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CS1 ZINC000638371348 384598501 /nfs/dbraw/zinc/59/85/01/384598501.db2.gz QUDSSXOYJZCQHT-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497626 384662982 /nfs/dbraw/zinc/66/29/82/384662982.db2.gz JGIDXXXHPGNMIP-YJBOKZPZSA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643498946 384663082 /nfs/dbraw/zinc/66/30/82/384663082.db2.gz ZIVAMRSRLMPDPW-CQSZACIVSA-N 2 0 272.396 2.523 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000643497900 384663573 /nfs/dbraw/zinc/66/35/73/384663573.db2.gz VPIRZWNNITVBLF-SECBINFHSA-N 2 0 272.314 2.754 20 0 CFADRP COCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268810593 384666479 /nfs/dbraw/zinc/66/64/79/384666479.db2.gz HANLZBYEXGPUMW-XYJFISCASA-N 2 0 290.451 2.912 20 0 CFADRP C(C[NH2+]C1CC[NH+](CC2CCCC2)CC1)C[C@H]1CCO1 ZINC000638454731 384672455 /nfs/dbraw/zinc/67/24/55/384672455.db2.gz NNAKVIRKRLSSJG-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000643503641 384672974 /nfs/dbraw/zinc/67/29/74/384672974.db2.gz RDGCMIDSKKACIJ-NWHVRFAMSA-N 2 0 266.335 2.812 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000643503662 384673464 /nfs/dbraw/zinc/67/34/64/384673464.db2.gz VUNCVBIUAHJXFP-OFLPRAFFSA-N 2 0 258.409 2.794 20 0 CFADRP Cc1cc([C@H](C)NCC[NH2+]C2CC2)cc(C)c1F ZINC000643507106 384676483 /nfs/dbraw/zinc/67/64/83/384676483.db2.gz SGKNFIATWMCAMD-LBPRGKRZSA-N 2 0 250.361 2.845 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453515 384635206 /nfs/dbraw/zinc/63/52/06/384635206.db2.gz IYZJNBPTRFYKJP-FNHZYXHNSA-N 2 0 280.415 2.874 20 0 CFADRP Clc1cccc2c1OCCC[C@H]2NCC[NH2+]C1CC1 ZINC000643507319 384675044 /nfs/dbraw/zinc/67/50/44/384675044.db2.gz ZAYHQCGTYIQMHJ-CQSZACIVSA-N 2 0 280.799 2.895 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1COc2c1cccc2Cl ZINC000643466637 384646156 /nfs/dbraw/zinc/64/61/56/384646156.db2.gz JXZUZNLIXUIBHC-ZWNOBZJWSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000643466759 384646376 /nfs/dbraw/zinc/64/63/76/384646376.db2.gz MNQOUXPRFXVEDM-ZNMIVQPWSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000643469235 384650752 /nfs/dbraw/zinc/65/07/52/384650752.db2.gz BOUBYEAFZFNLAC-HUUCEWRRSA-N 2 0 299.422 2.990 20 0 CFADRP CCC1(O)CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000643474137 384652450 /nfs/dbraw/zinc/65/24/50/384652450.db2.gz GJCJSJVOJMFHEO-GYXIZQIFSA-N 2 0 282.472 2.971 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643477982 384654269 /nfs/dbraw/zinc/65/42/69/384654269.db2.gz KLJMHZYAKOGUQU-ZQIUZPCESA-N 2 0 258.409 2.522 20 0 CFADRP COc1cccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C2CC2)c1 ZINC000643476341 384655072 /nfs/dbraw/zinc/65/50/72/384655072.db2.gz OXGDRIKZWVSYOL-FUHWJXTLSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638440151 384656414 /nfs/dbraw/zinc/65/64/14/384656414.db2.gz ZVWFEOADBDYHTK-KBPBESRZSA-N 2 0 282.472 2.636 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])CCO2 ZINC000643482405 384656407 /nfs/dbraw/zinc/65/64/07/384656407.db2.gz HOTRSBWNLIWFPT-YWPYICTPSA-N 2 0 278.396 2.624 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497284 384661910 /nfs/dbraw/zinc/66/19/10/384661910.db2.gz CFOYYRYUTRASTR-GFCCVEGCSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000643543782 384723054 /nfs/dbraw/zinc/72/30/54/384723054.db2.gz VTKOCWSGZDHVES-CRAIPNDOSA-N 3 0 289.467 2.787 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545792 384724678 /nfs/dbraw/zinc/72/46/78/384724678.db2.gz CJIMVFPXZQPJJB-BBRMVZONSA-N 2 0 286.419 2.947 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546576 384725251 /nfs/dbraw/zinc/72/52/51/384725251.db2.gz RGZYMVHNDDLRSA-ZBFHGGJFSA-N 2 0 256.393 2.938 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc2ccccc2n1C ZINC000638462928 384678254 /nfs/dbraw/zinc/67/82/54/384678254.db2.gz AQRMTQLLQQZSAQ-ZDUSSCGKSA-N 2 0 259.397 2.608 20 0 CFADRP Clc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000643509256 384680804 /nfs/dbraw/zinc/68/08/04/384680804.db2.gz PMQHPBXNZVIQPK-XHDPSFHLSA-N 2 0 264.800 2.917 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643521364 384686456 /nfs/dbraw/zinc/68/64/56/384686456.db2.gz AWAHSVNIVWHDNP-GDBMZVCRSA-N 2 0 292.423 2.505 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000643548323 384726404 /nfs/dbraw/zinc/72/64/04/384726404.db2.gz NSWPMKMSDMXNTJ-RBSFLKMASA-N 2 0 278.440 2.598 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643520913 384686894 /nfs/dbraw/zinc/68/68/94/384686894.db2.gz AMKVKUCWLLLEDG-KJFZJZGVSA-N 2 0 271.408 2.519 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522409 384688273 /nfs/dbraw/zinc/68/82/73/384688273.db2.gz MTXVNQBXGAYNPK-NHYWBVRUSA-N 2 0 266.335 2.684 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522153 384689604 /nfs/dbraw/zinc/68/96/04/384689604.db2.gz IXPNIZGHZFWPQP-HOCLYGCPSA-N 2 0 274.408 2.940 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C12CCC2 ZINC000643548325 384726683 /nfs/dbraw/zinc/72/66/83/384726683.db2.gz NSWPMKMSDMXNTJ-SOUVJXGZSA-N 2 0 278.440 2.598 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1-n1cccn1 ZINC000643523879 384691090 /nfs/dbraw/zinc/69/10/90/384691090.db2.gz IZMQTJZHGDRYCM-KKUMJFAQSA-N 2 0 284.407 2.793 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523109 384691656 /nfs/dbraw/zinc/69/16/56/384691656.db2.gz WVFNZXHEKHYQOM-BBRMVZONSA-N 2 0 259.397 2.665 20 0 CFADRP C[C@@H]([NH3+])CN[C@H](C)c1ccc(Br)s1 ZINC000643525747 384693208 /nfs/dbraw/zinc/69/32/08/384693208.db2.gz DBWYMOCZURAEBC-RNFRBKRXSA-N 2 0 263.204 2.508 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CCCO2 ZINC000643524182 384694261 /nfs/dbraw/zinc/69/42/61/384694261.db2.gz TYRCEBSGVFBGFV-WOSRLPQWSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC000643525800 384694416 /nfs/dbraw/zinc/69/44/16/384694416.db2.gz OOFAPMAKKQDCHQ-OSQNNJELSA-N 2 0 266.335 2.682 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000643529601 384702987 /nfs/dbraw/zinc/70/29/87/384702987.db2.gz FKRHGYCQAHDICI-YGRLFVJLSA-N 2 0 297.240 2.707 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000643532466 384703517 /nfs/dbraw/zinc/70/35/17/384703517.db2.gz GRLHNOWOBPZPSH-DZKIICNBSA-N 2 0 273.424 2.814 20 0 CFADRP C[C@H]([NH3+])CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000643529617 384704172 /nfs/dbraw/zinc/70/41/72/384704172.db2.gz GRWPTCXVBYLVPV-ZDUSSCGKSA-N 2 0 269.477 2.602 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534504 384705496 /nfs/dbraw/zinc/70/54/96/384705496.db2.gz WGTULRPGDJTRTI-BBRMVZONSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1 ZINC000643534495 384705524 /nfs/dbraw/zinc/70/55/24/384705524.db2.gz VXFHHMDVTDWQFY-YGRLFVJLSA-N 2 0 266.335 2.758 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2ccnc2)cc1 ZINC000643534205 384705796 /nfs/dbraw/zinc/70/57/96/384705796.db2.gz OIIXXZQHHHFSCY-WMLDXEAASA-N 2 0 296.418 2.665 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534507 384705860 /nfs/dbraw/zinc/70/58/60/384705860.db2.gz WGTULRPGDJTRTI-XJKSGUPXSA-N 2 0 274.408 2.878 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534584 384707112 /nfs/dbraw/zinc/70/71/12/384707112.db2.gz YGTIQALIRJRPCD-BBRMVZONSA-N 2 0 274.408 2.878 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)[C@H](C)C2 ZINC000643534726 384707989 /nfs/dbraw/zinc/70/79/89/384707989.db2.gz BAKKVKNDNZMXEO-KBRIMQKVSA-N 2 0 270.420 2.960 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000643535681 384708983 /nfs/dbraw/zinc/70/89/83/384708983.db2.gz HQSXLWAVJPZLQL-KBXIAJHMSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000643535653 384709052 /nfs/dbraw/zinc/70/90/52/384709052.db2.gz HGMVKYAFGBZSCB-QLFBSQMISA-N 2 0 250.430 2.933 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535373 384709547 /nfs/dbraw/zinc/70/95/47/384709547.db2.gz CUKUEMKGRGZGIN-DZGCQCFKSA-N 2 0 290.382 2.553 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535969 384709782 /nfs/dbraw/zinc/70/97/82/384709782.db2.gz QJGUQKOHZJDUFZ-JQWIXIFHSA-N 2 0 266.410 2.549 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536615 384710905 /nfs/dbraw/zinc/71/09/05/384710905.db2.gz STXUBZCSIWNEMR-DOTOQJQBSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc21 ZINC000643536405 384711339 /nfs/dbraw/zinc/71/13/39/384711339.db2.gz QLCHADCNASISNP-UHOFOFEASA-N 2 0 256.393 2.967 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)C2 ZINC000643536658 384711762 /nfs/dbraw/zinc/71/17/62/384711762.db2.gz UIADYMIKWIVHGD-SJORKVTESA-N 2 0 270.420 2.666 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1C(C)(C)C1(C)C ZINC000643537132 384713246 /nfs/dbraw/zinc/71/32/46/384713246.db2.gz ZWNPXGNDYYCNSL-NWDGAFQWSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536993 384713386 /nfs/dbraw/zinc/71/33/86/384713386.db2.gz ZUHLQJBLVCPBJP-ZBFHGGJFSA-N 2 0 273.424 2.525 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536924 384713435 /nfs/dbraw/zinc/71/34/35/384713435.db2.gz XHCSMPBMUWFNIC-TUVASFSCSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)C1C(C)(C)C1(C)C ZINC000643537131 384713951 /nfs/dbraw/zinc/71/39/51/384713951.db2.gz ZWNPXGNDYYCNSL-NEPJUHHUSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000643536966 384713960 /nfs/dbraw/zinc/71/39/60/384713960.db2.gz ZLHMXGMPEUJIIC-LSDHHAIUSA-N 2 0 250.430 2.933 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643537050 384714097 /nfs/dbraw/zinc/71/40/97/384714097.db2.gz YLEOXSLXSLDCLV-ZBFHGGJFSA-N 2 0 290.382 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279672059 384715904 /nfs/dbraw/zinc/71/59/04/384715904.db2.gz FXJHIKOUMUQHHL-BFYDXBDKSA-N 2 0 276.424 2.694 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000643541132 384719098 /nfs/dbraw/zinc/71/90/98/384719098.db2.gz OQRRTMRZWOYSMD-IUIKQTSFSA-N 2 0 277.387 2.779 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)C1CC[NH+](C)CC1 ZINC000643539473 384719785 /nfs/dbraw/zinc/71/97/85/384719785.db2.gz KRJHLULDBPRZPT-CQSZACIVSA-N 2 0 287.451 2.865 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643539267 384720568 /nfs/dbraw/zinc/72/05/68/384720568.db2.gz VDOAHYPDEQJCHJ-LKFCYVNXSA-N 2 0 254.324 2.669 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(C)s1 ZINC000643542777 384722159 /nfs/dbraw/zinc/72/21/59/384722159.db2.gz XTKFGLGDJJBVGU-XXILOJSOSA-N 2 0 253.415 2.538 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CS1 ZINC000638606533 384778799 /nfs/dbraw/zinc/77/87/99/384778799.db2.gz ZKXMWOUNMBWUQA-AGIUHOORSA-N 2 0 258.475 2.836 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CCC2CCOCC2)CC1 ZINC000638564866 384743974 /nfs/dbraw/zinc/74/39/74/384743974.db2.gz JMQZBBGCQJXDKY-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2CC(OCC)C2)CC1 ZINC000638564585 384744088 /nfs/dbraw/zinc/74/40/88/384744088.db2.gz GLZUECMXGRNXMA-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@H](C[NH2+]CCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000638566438 384745372 /nfs/dbraw/zinc/74/53/72/384745372.db2.gz IVNMLZFUNGYCFC-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000279788015 384761837 /nfs/dbraw/zinc/76/18/37/384761837.db2.gz BKJRVFXHEBTECN-UHFFFAOYSA-N 2 0 269.392 2.741 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H](C)C1 ZINC000638611056 384784085 /nfs/dbraw/zinc/78/40/85/384784085.db2.gz SOYKYAAWKJUAEC-FMKPAKJESA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000638611058 384784113 /nfs/dbraw/zinc/78/41/13/384784113.db2.gz SOYKYAAWKJUAEC-IJEWVQPXSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CS1 ZINC000638633490 384798455 /nfs/dbraw/zinc/79/84/55/384798455.db2.gz ANVIQCKFDRRGJT-RISCZKNCSA-N 2 0 282.428 2.871 20 0 CFADRP COCC1(C[NH2+]CCC[NH+](C(C)C)C(C)C)CCC1 ZINC000638737909 384878521 /nfs/dbraw/zinc/87/85/21/384878521.db2.gz XXCAIACPWQTWFN-UHFFFAOYSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCN(C)C ZINC000280108838 384886187 /nfs/dbraw/zinc/88/61/87/384886187.db2.gz BFQCTRPGIDHOBD-RYUDHWBXSA-N 2 0 254.805 2.983 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H](CC(C)C)OC)CC1 ZINC000638692440 384838528 /nfs/dbraw/zinc/83/85/28/384838528.db2.gz GZQCQANHSJDSAM-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000280001733 384846051 /nfs/dbraw/zinc/84/60/51/384846051.db2.gz RWVKJGGYKRCXHZ-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP C[C@H]1OCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000269750603 384861039 /nfs/dbraw/zinc/86/10/39/384861039.db2.gz ZVKNLUMDDVXVHC-LMSBXDPUSA-N 2 0 288.435 2.664 20 0 CFADRP COC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000423129643 533097370 /nfs/dbraw/zinc/09/73/70/533097370.db2.gz XKBUJCUGKZTEOH-RISCZKNCSA-N 2 0 270.804 2.745 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000644523634 384917595 /nfs/dbraw/zinc/91/75/95/384917595.db2.gz IBKDNOSKKRXHLC-BZUAXINKSA-N 2 0 290.451 2.635 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787844 384920048 /nfs/dbraw/zinc/92/00/48/384920048.db2.gz LPLBDGQYDCVTKF-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000638788600 384920972 /nfs/dbraw/zinc/92/09/72/384920972.db2.gz LZHBQPWZDAJKHX-MJBXVCDLSA-N 2 0 274.399 2.988 20 0 CFADRP c1cc(N2CCC(C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC000638836773 384968904 /nfs/dbraw/zinc/96/89/04/384968904.db2.gz KDOPPEXELUKLIJ-BJWYYQGGSA-N 2 0 285.435 2.934 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000638863170 384995444 /nfs/dbraw/zinc/99/54/44/384995444.db2.gz LLWXBNOMKLNUAK-FHERZECASA-N 2 0 278.444 2.687 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638865352 384998241 /nfs/dbraw/zinc/99/82/41/384998241.db2.gz VHXBBFZTXLOCCA-GOEBONIOSA-N 2 0 292.471 2.971 20 0 CFADRP C[C@H](CO)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000270321481 385054605 /nfs/dbraw/zinc/05/46/05/385054605.db2.gz YCPZGNCLWQFDGH-XYJFISCASA-N 2 0 290.451 2.505 20 0 CFADRP CO[C@@H](C[NH2+]CC1(C)CC[NH+](C)CC1)Cc1ccccc1 ZINC000638962750 385057827 /nfs/dbraw/zinc/05/78/27/385057827.db2.gz XTSMZEYDIJRAIL-QGZVFWFLSA-N 2 0 290.451 2.566 20 0 CFADRP CO[C@H](C[NH2+]CC1(C)CC[NH+](C)CC1)Cc1ccccc1 ZINC000638962748 385057985 /nfs/dbraw/zinc/05/79/85/385057985.db2.gz XTSMZEYDIJRAIL-KRWDZBQOSA-N 2 0 290.451 2.566 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000337394699 285148861 /nfs/dbraw/zinc/14/88/61/285148861.db2.gz MMLHVMMLAWDNNU-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(F)c1 ZINC000638917726 385030409 /nfs/dbraw/zinc/03/04/09/385030409.db2.gz HRPSFCQOOIPNQZ-CJNGLKHVSA-N 2 0 262.372 2.660 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423210848 533102434 /nfs/dbraw/zinc/10/24/34/533102434.db2.gz GJEFMAQTXTUOSC-GRYCIOLGSA-N 2 0 268.426 2.795 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CS[C@H](C)C1)[NH+]1CCCCC1 ZINC000639038182 385110427 /nfs/dbraw/zinc/11/04/27/385110427.db2.gz QYMSPTOMWRRLDZ-MCIONIFRSA-N 2 0 256.459 2.735 20 0 CFADRP CO[C@@](C)(C[NH2+]CC1(C[NH+](C)C)CCCC1)C1CC1 ZINC000639047440 385123570 /nfs/dbraw/zinc/12/35/70/385123570.db2.gz RMZYSGNGQXEBFC-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000644989852 385152675 /nfs/dbraw/zinc/15/26/75/385152675.db2.gz OIPPJRUIMNAMRZ-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000270613304 385165098 /nfs/dbraw/zinc/16/50/98/385165098.db2.gz IJRNEMJSLWAWFD-FZMWSMFESA-N 2 0 290.451 2.817 20 0 CFADRP COc1ccc2oc(C[NH2+]CCCC[NH+](C)C)cc2c1 ZINC000270640468 385172743 /nfs/dbraw/zinc/17/27/43/385172743.db2.gz OMRVDMLWIQQMTI-UHFFFAOYSA-N 2 0 276.380 2.873 20 0 CFADRP COC1(CC[N@@H+]2CCC[C@@H](n3ccnc3C)C2)CCC1 ZINC000645085068 385178789 /nfs/dbraw/zinc/17/87/89/385178789.db2.gz DZFLEGLYDUSJBR-OAHLLOKOSA-N 2 0 277.412 2.788 20 0 CFADRP C[C@@H](F)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645197185 385236788 /nfs/dbraw/zinc/23/67/88/385236788.db2.gz PVTBDGYDTKJTHD-OAHLLOKOSA-N 2 0 294.414 2.999 20 0 CFADRP C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CC1CCSCC1 ZINC000639190289 385304430 /nfs/dbraw/zinc/30/44/30/385304430.db2.gz SZICVQPPRHGEQH-UKRRQHHQSA-N 2 0 268.470 2.688 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000639169115 385275152 /nfs/dbraw/zinc/27/51/52/385275152.db2.gz CLITUQDZWDWGPP-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(=O)[nH]c1 ZINC000639171146 385276101 /nfs/dbraw/zinc/27/61/01/385276101.db2.gz RVJLTXZHVIGZGX-UHFFFAOYSA-N 2 0 299.418 2.871 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000282303930 385278821 /nfs/dbraw/zinc/27/88/21/385278821.db2.gz MOIDUCNHKIGANF-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282363801 385294449 /nfs/dbraw/zinc/29/44/49/385294449.db2.gz XOHBYMLNIDJCFO-LBPRGKRZSA-N 2 0 292.452 2.578 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1SC ZINC000423345180 533115487 /nfs/dbraw/zinc/11/54/87/533115487.db2.gz NSLLITPRWCFYDT-GFCCVEGCSA-N 2 0 292.448 2.987 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000639244964 385374624 /nfs/dbraw/zinc/37/46/24/385374624.db2.gz RLQRLLLGZPWZSS-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP COc1cccc(C)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000639247284 385378431 /nfs/dbraw/zinc/37/84/31/385378431.db2.gz RSMSLAYXGFASLR-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000282828082 385395456 /nfs/dbraw/zinc/39/54/56/385395456.db2.gz SCLZSIXXLKYFPS-CVEARBPZSA-N 2 0 283.419 2.927 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000271873925 385396010 /nfs/dbraw/zinc/39/60/10/385396010.db2.gz YNUFHTLCXAFMOO-UHFFFAOYSA-N 2 0 295.224 2.801 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423283180 533117609 /nfs/dbraw/zinc/11/76/09/533117609.db2.gz DUAWJCDNCKPKMA-NWDGAFQWSA-N 2 0 280.412 2.523 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1F ZINC000423024385 533121016 /nfs/dbraw/zinc/12/10/16/533121016.db2.gz LQZYVJCLTVRHFZ-GHMZBOCLSA-N 2 0 254.349 2.612 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)OC ZINC000639302019 385429306 /nfs/dbraw/zinc/42/93/06/385429306.db2.gz JWZYTBKLTFSUES-FZKCQIBNSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[C@@H](Nc2cncc3c2CCCC3)CC[N@@H+]1C ZINC000639303747 385431573 /nfs/dbraw/zinc/43/15/73/385431573.db2.gz SWDKDYSEOAQAKY-JSGCOSHPSA-N 2 0 259.397 2.855 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000283111387 385437503 /nfs/dbraw/zinc/43/75/03/385437503.db2.gz MOXDUTZJPBDCDH-SJORKVTESA-N 2 0 276.424 2.790 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)CS1 ZINC000639345432 385469214 /nfs/dbraw/zinc/46/92/14/385469214.db2.gz LMXBRAJQGXZXGU-IPYPFGDCSA-N 2 0 268.470 2.877 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@H]1CCN1C1CCCCC1)OC ZINC000639345622 385469612 /nfs/dbraw/zinc/46/96/12/385469612.db2.gz NIUHRDXIBGHXHP-HZPDHXFCSA-N 2 0 268.445 2.798 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1CCN1C1CCCC1)C1CCCC1 ZINC000639353708 385476272 /nfs/dbraw/zinc/47/62/72/385476272.db2.gz YZYOFGZKRMLESF-IAGOWNOFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272241291 385484763 /nfs/dbraw/zinc/48/47/63/385484763.db2.gz WPGVMYIVGGRCSD-PBHICJAKSA-N 2 0 258.409 2.897 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](OC)C2CC2)CC1 ZINC000639376141 385493110 /nfs/dbraw/zinc/49/31/10/385493110.db2.gz VUQZTSVHAPCILH-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC000639378407 385495510 /nfs/dbraw/zinc/49/55/10/385495510.db2.gz PZNMTTJAUPMRJP-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP COC[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000288901415 197189034 /nfs/dbraw/zinc/18/90/34/197189034.db2.gz SOWZENKLNOZFAB-OAHLLOKOSA-N 2 0 284.831 2.959 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312398 385507978 /nfs/dbraw/zinc/50/79/78/385507978.db2.gz JASHFCILFSGDGB-CWLKWCNXSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000121351209 413001565 /nfs/dbraw/zinc/00/15/65/413001565.db2.gz YPUJTMMUKYZWSL-QZWWFDLISA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374348 385521984 /nfs/dbraw/zinc/52/19/84/385521984.db2.gz VGBCMZQRLSAEDP-XIRDDKMYSA-N 2 0 290.476 2.992 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000337536213 285177717 /nfs/dbraw/zinc/17/77/17/285177717.db2.gz YDKGJIMRKXWHID-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])ccc1F ZINC000423024387 533129138 /nfs/dbraw/zinc/12/91/38/533129138.db2.gz LQZYVJCLTVRHFZ-QWRGUYRKSA-N 2 0 254.349 2.612 20 0 CFADRP COCCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272495301 385552711 /nfs/dbraw/zinc/55/27/11/385552711.db2.gz NGFDTRQDLFNWAD-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)ccc1OC(C)C ZINC000422814463 533129762 /nfs/dbraw/zinc/12/97/62/533129762.db2.gz UWSXYYDBSDEQQG-STQMWFEESA-N 2 0 292.423 2.741 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCOC2)C[C@H]1CCC[NH+](C)C1 ZINC000639494839 385559821 /nfs/dbraw/zinc/55/98/21/385559821.db2.gz MZAOSZXOIHJZNY-HNNXBMFYSA-N 2 0 288.435 2.533 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000272546571 385562410 /nfs/dbraw/zinc/56/24/10/385562410.db2.gz LTOVORSBJWNWSA-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@@H]([NH2+]C1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564483 385565501 /nfs/dbraw/zinc/56/55/01/385565501.db2.gz FFBQSYBMVLUFFN-NVXWUHKLSA-N 2 0 288.435 2.666 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272677687 385587179 /nfs/dbraw/zinc/58/71/79/385587179.db2.gz RNOFFINTFZBMSV-NUJGCVRESA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@](C)(CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272873609 385637338 /nfs/dbraw/zinc/63/73/38/385637338.db2.gz WOZRQWVFOVEMAQ-CGTJXYLNSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H]1OCC[C@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000639659638 385643559 /nfs/dbraw/zinc/64/35/59/385643559.db2.gz AGCILRUTSUJDNS-WBVHZDCISA-N 2 0 288.435 2.666 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3csc(C4CC4)n3)C2)CC1 ZINC000639758473 385697349 /nfs/dbraw/zinc/69/73/49/385697349.db2.gz UJGFDBXGCLCFCL-UHFFFAOYSA-N 2 0 291.464 2.938 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639755205 385697586 /nfs/dbraw/zinc/69/75/86/385697586.db2.gz HXQGTOONWLDQMI-UHFFFAOYSA-N 2 0 288.435 2.751 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760344 385699208 /nfs/dbraw/zinc/69/92/08/385699208.db2.gz VQQYOJGYUHGXSL-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000122875155 413008288 /nfs/dbraw/zinc/00/82/88/413008288.db2.gz JUCWEUOYLZEQFJ-WFASDCNBSA-N 2 0 282.815 2.778 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H](O)c2cccc(F)c2)CC1 ZINC000272956501 385667079 /nfs/dbraw/zinc/66/70/79/385667079.db2.gz PCHBLVLESRSIQW-DYVFJYSZSA-N 2 0 294.414 2.710 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000639906821 385764595 /nfs/dbraw/zinc/76/45/95/385764595.db2.gz ZJOUBPRIYCKSGF-BBWFWOEESA-N 2 0 274.408 2.591 20 0 CFADRP CN(C)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000287041448 385768128 /nfs/dbraw/zinc/76/81/28/385768128.db2.gz MITBTQCRDJNUKA-UHFFFAOYSA-N 2 0 289.467 2.581 20 0 CFADRP COC(C)(C)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984134 385805546 /nfs/dbraw/zinc/80/55/46/385805546.db2.gz PUZONEYMRCHBQR-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639984416 385805841 /nfs/dbraw/zinc/80/58/41/385805841.db2.gz VBLIDARKPRGTNO-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000639987329 385808361 /nfs/dbraw/zinc/80/83/61/385808361.db2.gz HQKGQYGLNFSGCT-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCCc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000274850608 385883672 /nfs/dbraw/zinc/88/36/72/385883672.db2.gz XYXWTEZXEGGKDU-UHFFFAOYSA-N 2 0 258.409 2.991 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000274752680 385863786 /nfs/dbraw/zinc/86/37/86/385863786.db2.gz BHWJSQULRCPDKW-DAYGRLMNSA-N 2 0 290.451 2.910 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274819530 385877849 /nfs/dbraw/zinc/87/78/49/385877849.db2.gz BLTXCDSSDRHUGC-GXTWGEPZSA-N 2 0 299.846 2.742 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274819532 385878146 /nfs/dbraw/zinc/87/81/46/385878146.db2.gz BLTXCDSSDRHUGC-OCCSQVGLSA-N 2 0 299.846 2.742 20 0 CFADRP COc1cc2c(cc1F)C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414756814 533164624 /nfs/dbraw/zinc/16/46/24/533164624.db2.gz KIKKEMOJWBOYCC-CHWSQXEVSA-N 2 0 292.398 2.581 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423330964 533171613 /nfs/dbraw/zinc/17/16/13/533171613.db2.gz NZVAHXWXVBKEEQ-XJKSGUPXSA-N 2 0 262.397 2.736 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423272995 533175668 /nfs/dbraw/zinc/17/56/68/533175668.db2.gz KBZXZHCSFBWXMK-WWGRRREGSA-N 2 0 264.413 2.760 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000423278575 533176242 /nfs/dbraw/zinc/17/62/42/533176242.db2.gz QWNPHUKCSBJKRG-VNHYZAJKSA-N 2 0 294.439 2.769 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423272993 533176562 /nfs/dbraw/zinc/17/65/62/533176562.db2.gz KBZXZHCSFBWXMK-DVOMOZLQSA-N 2 0 264.413 2.760 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000423492873 533175009 /nfs/dbraw/zinc/17/50/09/533175009.db2.gz OWYGMBOURDSHNI-SDDRHHMPSA-N 2 0 266.360 2.612 20 0 CFADRP COC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCCC1 ZINC000446757821 285234881 /nfs/dbraw/zinc/23/48/81/285234881.db2.gz WSLWSGUEGZWNIF-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000681091041 542408702 /nfs/dbraw/zinc/40/87/02/542408702.db2.gz WMUDDFXYGNEHOM-PNESKVBLSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCc2ccccc2F)CC[N@@H+]1C ZINC000281253331 195168788 /nfs/dbraw/zinc/16/87/88/195168788.db2.gz WCELEXIARQEKND-ZFWWWQNUSA-N 2 0 264.388 2.831 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000681643452 542472857 /nfs/dbraw/zinc/47/28/57/542472857.db2.gz OAHZPKMYBUXFPA-SFHVURJKSA-N 2 0 279.387 2.891 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000682144027 542525838 /nfs/dbraw/zinc/52/58/38/542525838.db2.gz DHILIKPBNRGCMJ-BLLLJJGKSA-N 2 0 292.398 2.969 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000682404233 542547938 /nfs/dbraw/zinc/54/79/38/542547938.db2.gz CRAKEMZJOSLVLH-STQMWFEESA-N 2 0 284.325 2.665 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682405123 542548608 /nfs/dbraw/zinc/54/86/08/542548608.db2.gz KZDNOCHSINWXLO-UHFFFAOYSA-N 2 0 276.424 2.946 20 0 CFADRP C1COC2(C1)CCC([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000682640915 542574889 /nfs/dbraw/zinc/57/48/89/542574889.db2.gz PQOAPASVWWDSJZ-GMRIPVOYSA-N 2 0 278.440 2.695 20 0 CFADRP C1COC2(C1)CCC([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000682640919 542575055 /nfs/dbraw/zinc/57/50/55/542575055.db2.gz PQOAPASVWWDSJZ-VUROTCPHSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000094009552 184749663 /nfs/dbraw/zinc/74/96/63/184749663.db2.gz VYQZBUHKZGLKDU-NSHDSACASA-N 2 0 252.789 2.990 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422949155 533365844 /nfs/dbraw/zinc/36/58/44/533365844.db2.gz UFISVFYZPMLZBS-QWHCGFSZSA-N 2 0 264.413 2.688 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(Br)c(F)c1 ZINC000423342492 533378497 /nfs/dbraw/zinc/37/84/97/533378497.db2.gz YUTUQBLSLVWGBB-SECBINFHSA-N 2 0 289.192 2.978 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000423179894 533384004 /nfs/dbraw/zinc/38/40/04/533384004.db2.gz MWVMCZOIGJFADV-MRXNPFEDSA-N 2 0 297.446 2.786 20 0 CFADRP C[C@@H]([NH2+]C1CC(F)(c2cccc(Cl)c2)C1)C1C[NH2+]C1 ZINC000423096461 533329641 /nfs/dbraw/zinc/32/96/41/533329641.db2.gz OWSIFHSGXHWVAP-SFNBMPIDSA-N 2 0 282.790 2.865 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]1 ZINC000422768062 533404561 /nfs/dbraw/zinc/40/45/61/533404561.db2.gz UCPIJCUNYCVQCS-ABAIWWIYSA-N 2 0 275.371 2.580 20 0 CFADRP C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422728597 533425807 /nfs/dbraw/zinc/42/58/07/533425807.db2.gz AIQUQJVDSBQIQE-QBPKDAKJSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cccc(-n2ccnc2)c1 ZINC000422789200 533497375 /nfs/dbraw/zinc/49/73/75/533497375.db2.gz BHIJYAVQNJSJLN-UONOGXRCSA-N 2 0 272.396 2.650 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000414914265 533506171 /nfs/dbraw/zinc/50/61/71/533506171.db2.gz XTEQSHLCECOBEG-OAHLLOKOSA-N 2 0 290.451 2.996 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414913009 533507151 /nfs/dbraw/zinc/50/71/51/533507151.db2.gz ZGQWTGXGXVLVFU-GDBMZVCRSA-N 2 0 276.424 2.748 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414916817 533507257 /nfs/dbraw/zinc/50/72/57/533507257.db2.gz QNBSDDTYJHHUFE-QAPCUYQASA-N 2 0 290.451 2.996 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1O ZINC000415018245 533508307 /nfs/dbraw/zinc/50/83/07/533508307.db2.gz UDRSTPNNERXGMN-UONOGXRCSA-N 2 0 294.439 2.829 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414917713 533514178 /nfs/dbraw/zinc/51/41/78/533514178.db2.gz QXUPKZPSUFBUBV-HOCLYGCPSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414877786 533580367 /nfs/dbraw/zinc/58/03/67/533580367.db2.gz GKAUADGOCBWYRV-ZDUSSCGKSA-N 2 0 255.365 2.576 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1F ZINC000422788868 533537923 /nfs/dbraw/zinc/53/79/23/533537923.db2.gz NTGSVMOFNBQPPF-STQMWFEESA-N 2 0 268.376 2.700 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(F)cc1 ZINC000422778187 533537933 /nfs/dbraw/zinc/53/79/33/533537933.db2.gz AJHFKHUDHDDBMN-STQMWFEESA-N 2 0 268.376 2.700 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422839839 533537973 /nfs/dbraw/zinc/53/79/73/533537973.db2.gz RNUPZFYWJOGLDP-LBPRGKRZSA-N 2 0 277.387 2.957 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000414803977 533547429 /nfs/dbraw/zinc/54/74/29/533547429.db2.gz DLKQXFFJEXSIKO-UONOGXRCSA-N 2 0 299.418 2.831 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422963774 533553552 /nfs/dbraw/zinc/55/35/52/533553552.db2.gz JLPWQDAIQOZZPX-LSDHHAIUSA-N 2 0 279.428 2.524 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ncoc1-c1ccccc1 ZINC000422888876 533554576 /nfs/dbraw/zinc/55/45/76/533554576.db2.gz DUVZRYJGCXJUMG-LBPRGKRZSA-N 2 0 259.353 2.559 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423346842 533567846 /nfs/dbraw/zinc/56/78/46/533567846.db2.gz QJJBGFVZLIMLPB-DOTOQJQBSA-N 2 0 275.440 2.772 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423207083 533658309 /nfs/dbraw/zinc/65/83/09/533658309.db2.gz GOSQNAHAMRMQPM-QWHCGFSZSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423325083 533658400 /nfs/dbraw/zinc/65/84/00/533658400.db2.gz PYZJJTRCOCOROI-ZUZCIYMTSA-N 2 0 268.351 2.613 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1nccn1C ZINC000341758469 130025653 /nfs/dbraw/zinc/02/56/53/130025653.db2.gz PSKHUBPVCLMNIQ-CABCVRRESA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCCF)CC1 ZINC000341876259 130103034 /nfs/dbraw/zinc/10/30/34/130103034.db2.gz YSXQGTUKDMCFDC-IRXDYDNUSA-N 2 0 299.478 2.617 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000191517375 130248032 /nfs/dbraw/zinc/24/80/32/130248032.db2.gz UNGREFLYCRHBRL-MLGOLLRUSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000191515980 130248129 /nfs/dbraw/zinc/24/81/29/130248129.db2.gz DDFKUMJBOJMPOW-WCQYABFASA-N 2 0 268.351 2.580 20 0 CFADRP Cc1ccnc(C[NH+]2CCC(Nc3ccccn3)CC2)c1 ZINC000683019046 542629304 /nfs/dbraw/zinc/62/93/04/542629304.db2.gz LHZDTBLRQILFQX-UHFFFAOYSA-N 2 0 282.391 2.862 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355616285 130319537 /nfs/dbraw/zinc/31/95/37/130319537.db2.gz ZLOFDULHCQZNIQ-VXLLPVPCSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1Cl ZINC000355677778 130333051 /nfs/dbraw/zinc/33/30/51/130333051.db2.gz DEEAVDVOOIELMF-UHFFFAOYSA-N 2 0 264.800 3.000 20 0 CFADRP CSC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000356177797 130382093 /nfs/dbraw/zinc/38/20/93/130382093.db2.gz QXJLUYOYPIIHHZ-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000227329957 130841204 /nfs/dbraw/zinc/84/12/04/130841204.db2.gz SODLAGYVUASCFZ-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000227498432 130845470 /nfs/dbraw/zinc/84/54/70/130845470.db2.gz JASGYDGNYFKOHY-CYBMUJFWSA-N 2 0 290.407 2.798 20 0 CFADRP CC(C)CCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683221328 542655772 /nfs/dbraw/zinc/65/57/72/542655772.db2.gz LSZKFRNQMHEYMP-KRWDZBQOSA-N 2 0 281.488 2.523 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCOC(C)(C)C)CC1 ZINC000683227991 542656374 /nfs/dbraw/zinc/65/63/74/542656374.db2.gz LDMHWWVLVSOARJ-CQSZACIVSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000245611115 131087909 /nfs/dbraw/zinc/08/79/09/131087909.db2.gz LHFRCOBFCKESOA-NXHRZFHOSA-N 2 0 299.418 2.674 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000246960618 131099491 /nfs/dbraw/zinc/09/94/91/131099491.db2.gz IVIYLTFZAFMUMG-YOEHRIQHSA-N 2 0 294.414 2.915 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)CC1 ZINC000683357924 542671495 /nfs/dbraw/zinc/67/14/95/542671495.db2.gz YQBTZIZWGOLLJZ-CVEARBPZSA-N 2 0 288.435 2.969 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000262677744 131249678 /nfs/dbraw/zinc/24/96/78/131249678.db2.gz UKRCIDJLDMGBMJ-MRXNPFEDSA-N 2 0 277.412 2.513 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423536363 285500002 /nfs/dbraw/zinc/50/00/02/285500002.db2.gz HLYWWRHDJSKMID-UHFFFAOYSA-N 2 0 270.420 2.833 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000268717519 132055533 /nfs/dbraw/zinc/05/55/33/132055533.db2.gz GYTWMPPOHWWGFB-OAHLLOKOSA-N 2 0 276.424 2.860 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000268873940 132081009 /nfs/dbraw/zinc/08/10/09/132081009.db2.gz DIWPZMLOKDNPGH-HIFRSBDPSA-N 2 0 292.423 2.839 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccnc1Cl ZINC000269001202 132098952 /nfs/dbraw/zinc/09/89/52/132098952.db2.gz LPPROZNORHVPNQ-NSHDSACASA-N 2 0 255.793 2.727 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000269023597 132100749 /nfs/dbraw/zinc/10/07/49/132100749.db2.gz PZKPVMRORJMOBI-STQMWFEESA-N 2 0 262.397 2.708 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683929901 542746214 /nfs/dbraw/zinc/74/62/14/542746214.db2.gz HPLCOWPPUJSGSU-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683930458 542747422 /nfs/dbraw/zinc/74/74/22/542747422.db2.gz OENUMSQRAVUTKL-UHFFFAOYSA-N 2 0 255.365 2.519 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129083809 285523318 /nfs/dbraw/zinc/52/33/18/285523318.db2.gz GYSIIWNGEXEXEA-TZMCWYRMSA-N 2 0 262.422 2.955 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2(C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000179597384 393469152 /nfs/dbraw/zinc/46/91/52/393469152.db2.gz OUKMAQRSQYKCIZ-YOEHRIQHSA-N 2 0 272.436 2.864 20 0 CFADRP CC(C)c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000020128369 393486234 /nfs/dbraw/zinc/48/62/34/393486234.db2.gz DVTGOFRZVMQPKJ-UHFFFAOYSA-N 2 0 289.467 2.537 20 0 CFADRP Cc1cccc(CCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000180968273 393487188 /nfs/dbraw/zinc/48/71/88/393487188.db2.gz PRSHSNSPLDQVPV-UHFFFAOYSA-N 2 0 260.425 2.954 20 0 CFADRP Cc1cnn(C)c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000377549798 393533069 /nfs/dbraw/zinc/53/30/69/393533069.db2.gz MSZQUUKPPUEHTE-HNNXBMFYSA-N 2 0 299.422 2.508 20 0 CFADRP C[NH+]1CCN(C[C@H]2CCC[N@@H+]([C@H]3CCC(C)(C)C3)C2)CC1 ZINC000377634008 393534681 /nfs/dbraw/zinc/53/46/81/393534681.db2.gz YZNFIXBXLOJSNQ-SJORKVTESA-N 2 0 293.499 2.525 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000379196708 393551729 /nfs/dbraw/zinc/55/17/29/393551729.db2.gz JVUAPGIHOCVPHP-HOTGVXAUSA-N 2 0 262.397 2.577 20 0 CFADRP CCC[N@H+](C[C@H](OC)c1ccccc1)C1CC[NH2+]CC1 ZINC000379229087 393552006 /nfs/dbraw/zinc/55/20/06/393552006.db2.gz RZDHBIHVGKGIIW-KRWDZBQOSA-N 2 0 276.424 2.838 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000684372081 542795097 /nfs/dbraw/zinc/79/50/97/542795097.db2.gz GRIULGQRFDATHQ-HOCLYGCPSA-N 2 0 266.429 2.551 20 0 CFADRP CCCC[NH+](CCCC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402014 393560813 /nfs/dbraw/zinc/56/08/13/393560813.db2.gz KNYHZWUQAFMKMR-UHFFFAOYSA-N 2 0 268.405 2.666 20 0 CFADRP CC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000381862765 393568136 /nfs/dbraw/zinc/56/81/36/393568136.db2.gz JHNDMEQVLSHOHB-UHFFFAOYSA-N 2 0 286.419 2.564 20 0 CFADRP C[C@H]1C[C@H](C)[NH+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684411071 542803370 /nfs/dbraw/zinc/80/33/70/542803370.db2.gz FLAFGZHIIUPBDF-KBPBESRZSA-N 2 0 262.397 2.610 20 0 CFADRP C1C([NH2+][C@@H]2CCCC23CCOCC3)CC1[NH+]1CCCCC1 ZINC000334195933 393578293 /nfs/dbraw/zinc/57/82/93/393578293.db2.gz MMTJCKXTNYWXBR-OFLPRAFFSA-N 2 0 292.467 2.942 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCC2CCOCC2)CC[C@@H]1[NH3+] ZINC000382101426 393569767 /nfs/dbraw/zinc/56/97/67/393569767.db2.gz LFVVJZDGVMCXEL-CVEARBPZSA-N 2 0 268.445 2.643 20 0 CFADRP CCc1ccc([C@@H](COC)[NH2+][C@H](C)C2CC[NH+](C)CC2)o1 ZINC000165320223 542820333 /nfs/dbraw/zinc/82/03/33/542820333.db2.gz FOCZURUITRKQOE-CZUORRHYSA-N 2 0 294.439 2.849 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000401958465 393607015 /nfs/dbraw/zinc/60/70/15/393607015.db2.gz SAAWAJJJSYUPEV-CRAIPNDOSA-N 2 0 288.435 2.666 20 0 CFADRP CCC[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000386488418 393586422 /nfs/dbraw/zinc/58/64/22/393586422.db2.gz TYRKBSITWCOYQL-QZTJIDSGSA-N 2 0 290.451 2.913 20 0 CFADRP C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000334275490 393587892 /nfs/dbraw/zinc/58/78/92/393587892.db2.gz BXSYOOZZIMSINJ-MSOLQXFVSA-N 2 0 287.451 2.506 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc3c1NCC3)CC[NH2+]CC2 ZINC000335544626 393677429 /nfs/dbraw/zinc/67/74/29/393677429.db2.gz UYMFSVVLIYJJLE-AWEZNQCLSA-N 2 0 285.435 2.619 20 0 CFADRP [NH3+]CC1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000334585616 393609745 /nfs/dbraw/zinc/60/97/45/393609745.db2.gz IFOGCYYCSIYGNN-HNNXBMFYSA-N 2 0 264.800 2.998 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000404844014 393621399 /nfs/dbraw/zinc/62/13/99/393621399.db2.gz CTRCQKJBZXJUMB-NEPJUHHUSA-N 2 0 270.323 2.503 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334852886 393625497 /nfs/dbraw/zinc/62/54/97/393625497.db2.gz BOJMKCWCBDDOEC-STQMWFEESA-N 2 0 262.372 2.572 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC000335258920 393655826 /nfs/dbraw/zinc/65/58/26/393655826.db2.gz WAYWGFRQSGQQSQ-QWHCGFSZSA-N 2 0 262.372 2.572 20 0 CFADRP C[C@H](CCCCO)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684556909 542825819 /nfs/dbraw/zinc/82/58/19/542825819.db2.gz PFWUOKHIMNSFGD-SJLPKXTDSA-N 2 0 290.451 2.649 20 0 CFADRP OCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000411160648 393675900 /nfs/dbraw/zinc/67/59/00/393675900.db2.gz AUJPNYGVAAIMFI-UHFFFAOYSA-N 2 0 288.435 2.629 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000088455518 393761956 /nfs/dbraw/zinc/76/19/56/393761956.db2.gz JRSAFRPDVZJYGI-XHBSWPGZSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000336647844 393744740 /nfs/dbraw/zinc/74/47/40/393744740.db2.gz BHFOVXRXNVLFPM-FRRDWIJNSA-N 2 0 260.372 2.884 20 0 CFADRP CC[C@@H](CO)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411771344 393747146 /nfs/dbraw/zinc/74/71/46/393747146.db2.gz FYMSWNILVXFTST-SFHVURJKSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000336844536 393752249 /nfs/dbraw/zinc/75/22/49/393752249.db2.gz ZWHRUXDWTZSMDZ-DOTOQJQBSA-N 2 0 275.440 2.541 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCc3ccccc3C2)CC1 ZINC000206911042 393752379 /nfs/dbraw/zinc/75/23/79/393752379.db2.gz JBLHKBXWDZLUJM-CSLYMUCUSA-N 2 0 272.436 2.899 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000216012933 393754751 /nfs/dbraw/zinc/75/47/51/393754751.db2.gz NYHMOBWQBXDHJQ-QWHCGFSZSA-N 2 0 274.408 2.569 20 0 CFADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000411273076 393691568 /nfs/dbraw/zinc/69/15/68/393691568.db2.gz INXHCBDWVJWCIM-GOSISDBHSA-N 2 0 288.435 2.893 20 0 CFADRP C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411539597 393723907 /nfs/dbraw/zinc/72/39/07/393723907.db2.gz YIGYFQBWJJAPLT-CVEARBPZSA-N 2 0 290.451 2.779 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2)[C@H](C)C1 ZINC000081096349 393731005 /nfs/dbraw/zinc/73/10/05/393731005.db2.gz SUHPKASJZMSLFC-NVXWUHKLSA-N 2 0 276.424 2.728 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000245886994 393833522 /nfs/dbraw/zinc/83/35/22/393833522.db2.gz PBHJWOVHLFYYLW-ARFHVFGLSA-N 2 0 250.430 2.910 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000223025307 393765011 /nfs/dbraw/zinc/76/50/11/393765011.db2.gz JRFNRGYWOPVLBP-FGTMMUONSA-N 2 0 287.451 2.511 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[N@H+](C)C3CC3)C[C@H]2C1 ZINC000424337919 393834841 /nfs/dbraw/zinc/83/48/41/393834841.db2.gz SSUFAWGPYKMKIV-OOIBXKBGSA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000229644717 393777722 /nfs/dbraw/zinc/77/77/22/393777722.db2.gz NFZDGMWVOBKBAX-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338306985 393780886 /nfs/dbraw/zinc/78/08/86/393780886.db2.gz WWWAHERSLRYTDL-STQMWFEESA-N 2 0 260.372 2.695 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1(CC)CC ZINC000245905800 393835986 /nfs/dbraw/zinc/83/59/86/393835986.db2.gz OPFVAYHAXLCHEK-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000424234795 393803283 /nfs/dbraw/zinc/80/32/83/393803283.db2.gz HFASOWBLSOECQH-INIZCTEOSA-N 2 0 289.423 2.690 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000424234796 393803455 /nfs/dbraw/zinc/80/34/55/393803455.db2.gz HFASOWBLSOECQH-MRXNPFEDSA-N 2 0 289.423 2.690 20 0 CFADRP Cc1cc(F)cc2c1C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414753167 393803571 /nfs/dbraw/zinc/80/35/71/393803571.db2.gz LUUOIKURBGRUJE-UONOGXRCSA-N 2 0 276.399 2.880 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000414728161 393804063 /nfs/dbraw/zinc/80/40/63/393804063.db2.gz BUGZOZSIGWLHNK-CZUORRHYSA-N 2 0 295.858 2.660 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414753163 393804695 /nfs/dbraw/zinc/80/46/95/393804695.db2.gz DEWGSOSSESWOPC-SZMVWBNQSA-N 2 0 290.451 2.564 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H](C)[NH3+] ZINC000414828064 393805702 /nfs/dbraw/zinc/80/57/02/393805702.db2.gz YVKRAGAFLLDBJH-CQSZACIVSA-N 2 0 286.423 2.823 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000340210944 393837705 /nfs/dbraw/zinc/83/77/05/393837705.db2.gz YKXHEWTWSUIBRQ-QZTJIDSGSA-N 2 0 289.467 2.753 20 0 CFADRP CCC1(C)CCC([NH2+]CC2(COC)CC[NH2+]CC2)CC1 ZINC000414976279 393807755 /nfs/dbraw/zinc/80/77/55/393807755.db2.gz PESORLPCIWASON-UHFFFAOYSA-N 2 0 282.472 2.951 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414949493 393808902 /nfs/dbraw/zinc/80/89/02/393808902.db2.gz NNADFJNPCKJBNJ-WKPIXPDZSA-N 2 0 264.800 2.537 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000415085234 393811939 /nfs/dbraw/zinc/81/19/39/393811939.db2.gz SDPAHPSGHQURDS-HZPDHXFCSA-N 2 0 276.424 2.660 20 0 CFADRP Cc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424285162 393814355 /nfs/dbraw/zinc/81/43/55/393814355.db2.gz FJBNREPEMUNEEW-HNNXBMFYSA-N 2 0 258.409 2.959 20 0 CFADRP CC(C)[N@H+](C)CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340224408 393838224 /nfs/dbraw/zinc/83/82/24/393838224.db2.gz WYVJBRZZXUBVAA-ROUUACIJSA-N 2 0 289.467 2.752 20 0 CFADRP c1cn(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cn1 ZINC000339072182 393815006 /nfs/dbraw/zinc/81/50/06/393815006.db2.gz TYUNQDNPGLVCFK-WMZOPIPTSA-N 2 0 296.418 2.589 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(C)(C)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424288806 393815714 /nfs/dbraw/zinc/81/57/14/393815714.db2.gz ZNUCQFNDFMWMBF-GANOOXTDSA-N 2 0 294.483 2.902 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340208124 393838691 /nfs/dbraw/zinc/83/86/91/393838691.db2.gz ZGVHBSCGNXYLFQ-RCCFBDPRSA-N 2 0 287.451 2.506 20 0 CFADRP CC(C)[N@H+](C)CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340224407 393838752 /nfs/dbraw/zinc/83/87/52/393838752.db2.gz WYVJBRZZXUBVAA-QZTJIDSGSA-N 2 0 289.467 2.752 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246444683 393868072 /nfs/dbraw/zinc/86/80/72/393868072.db2.gz OUJJKLZQKGDRID-YJBOKZPZSA-N 2 0 290.451 2.948 20 0 CFADRP CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246453472 393869222 /nfs/dbraw/zinc/86/92/22/393869222.db2.gz FBEJVQCDSFBSAX-HOCLYGCPSA-N 2 0 250.430 2.981 20 0 CFADRP COCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246832993 393886171 /nfs/dbraw/zinc/88/61/71/393886171.db2.gz OGUHWHZHLWFTSI-DOTOQJQBSA-N 2 0 280.456 2.752 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(C)C ZINC000246866149 393888408 /nfs/dbraw/zinc/88/84/08/393888408.db2.gz CSTLHRAJQGJNCI-ZJIFWQFVSA-N 2 0 270.461 2.756 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246923402 393889884 /nfs/dbraw/zinc/88/98/84/393889884.db2.gz GVFKMTPLDWGDJQ-OKZBNKHCSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000344179769 393897317 /nfs/dbraw/zinc/89/73/17/393897317.db2.gz LSUGUMLANZOOHM-NJAFHUGGSA-N 2 0 293.499 2.571 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000424364690 393840411 /nfs/dbraw/zinc/84/04/11/393840411.db2.gz DZDBPWNJEAKDRK-DAXOMENPSA-N 2 0 294.414 2.872 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000424369679 393841755 /nfs/dbraw/zinc/84/17/55/393841755.db2.gz RQFTZDOFGSLKEM-KCPJHIHWSA-N 2 0 250.361 2.789 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCC2 ZINC000424378174 393841772 /nfs/dbraw/zinc/84/17/72/393841772.db2.gz SKDIQGATYPXORS-TUVASFSCSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn[nH]c1 ZINC000340470308 393842919 /nfs/dbraw/zinc/84/29/19/393842919.db2.gz OCSSRGSUVGGWEE-KFWWJZLASA-N 2 0 278.444 2.818 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246271574 393858501 /nfs/dbraw/zinc/85/85/01/393858501.db2.gz ASPVGKSBGZKCTN-HLLBOEOZSA-N 2 0 290.451 2.946 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345718626 393914947 /nfs/dbraw/zinc/91/49/47/393914947.db2.gz SVVHCEFVHNPBNV-ZOBUZTSGSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000248864908 393916760 /nfs/dbraw/zinc/91/67/60/393916760.db2.gz HLBOOCYNTQQYCF-FPCVCCKLSA-N 2 0 268.445 2.654 20 0 CFADRP Clc1ccc2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000346964940 393934678 /nfs/dbraw/zinc/93/46/78/393934678.db2.gz CNJXYENNHQANEX-UHFFFAOYSA-N 2 0 264.800 2.698 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC000429060736 393937129 /nfs/dbraw/zinc/93/71/29/393937129.db2.gz MHTWBKDZAPHVLS-MRXNPFEDSA-N 2 0 270.461 2.855 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000347362400 393939239 /nfs/dbraw/zinc/93/92/39/393939239.db2.gz XTJJUAYXJYYKNS-ZHCJQAHYSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000253284774 393941218 /nfs/dbraw/zinc/94/12/18/393941218.db2.gz NDTBZNYJBBEPFW-VNHYZAJKSA-N 2 0 276.449 2.806 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474732408 393945381 /nfs/dbraw/zinc/94/53/81/393945381.db2.gz MUOYKPCIXVQXQX-FGTMMUONSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000474723816 393945419 /nfs/dbraw/zinc/94/54/19/393945419.db2.gz SQHXQIVGDZIXQH-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000258990943 393946467 /nfs/dbraw/zinc/94/64/67/393946467.db2.gz LSVOLWSOJRNGGI-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000126254282 394023749 /nfs/dbraw/zinc/02/37/49/394023749.db2.gz GXNVRBCTEBMVIU-SUMWQHHRSA-N 2 0 258.409 2.851 20 0 CFADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H]1CCSC1 ZINC000486943729 393973486 /nfs/dbraw/zinc/97/34/86/393973486.db2.gz OKIARRHODJMRFP-LJISPDSOSA-N 2 0 270.486 2.696 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487265963 393993107 /nfs/dbraw/zinc/99/31/07/393993107.db2.gz CBDMHVMQIITUOR-NJELEJDNSA-N 2 0 273.424 2.805 20 0 CFADRP CCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1F ZINC000487275646 393993558 /nfs/dbraw/zinc/99/35/58/393993558.db2.gz KUMQELKDYSPKGR-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[N@H+](CC(C)(C)C[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000430560737 393993575 /nfs/dbraw/zinc/99/35/75/393993575.db2.gz HYQCZZPIIYEXJJ-AWEZNQCLSA-N 2 0 250.361 2.730 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCSc1ccccc1 ZINC000124633816 393997660 /nfs/dbraw/zinc/99/76/60/393997660.db2.gz YEOCAACRSNCUQU-QWHCGFSZSA-N 2 0 250.411 2.590 20 0 CFADRP [NH3+][C@@H]1CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430602216 393997762 /nfs/dbraw/zinc/99/77/62/393997762.db2.gz GNAAOHKQHOFSKU-MRXNPFEDSA-N 2 0 270.376 2.642 20 0 CFADRP C[N@H+](CCc1c(F)cccc1Cl)C1CC[NH2+]CC1 ZINC000430623853 393999348 /nfs/dbraw/zinc/99/93/48/393999348.db2.gz NOTCYOYPIXIJFT-UHFFFAOYSA-N 2 0 270.779 2.705 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCOCCc1ccccc1 ZINC000430631408 394000403 /nfs/dbraw/zinc/00/04/03/394000403.db2.gz UQJWVKZCPCLYSM-WMZOPIPTSA-N 2 0 290.451 2.838 20 0 CFADRP [NH3+]C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000430665331 394002735 /nfs/dbraw/zinc/00/27/35/394002735.db2.gz MNNIZFXKSRGEFL-UHFFFAOYSA-N 2 0 288.313 2.507 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000430961444 394007689 /nfs/dbraw/zinc/00/76/89/394007689.db2.gz DGQYCGANZZGYTP-YCPHGPKFSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417962517 394009550 /nfs/dbraw/zinc/00/95/50/394009550.db2.gz ZSHFEPWVPRRGJI-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C/C=C/c2ccncc2)CCCC1 ZINC000487559232 394011850 /nfs/dbraw/zinc/01/18/50/394011850.db2.gz MJTJYSUELJOMOF-AATRIKPKSA-N 2 0 273.424 2.806 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000353927671 394038443 /nfs/dbraw/zinc/03/84/43/394038443.db2.gz BDLJYQUWKGEOGS-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000488579631 394038586 /nfs/dbraw/zinc/03/85/86/394038586.db2.gz JXEVGWLIEQTBGV-CBBWQLFWSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355674973 394069161 /nfs/dbraw/zinc/06/91/61/394069161.db2.gz BWFQTCKCENGAIK-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128473499 394071026 /nfs/dbraw/zinc/07/10/26/394071026.db2.gz YJAPXTPRFBPGSZ-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCSc2ccccc2)CN1C1CC1 ZINC000128562604 394072291 /nfs/dbraw/zinc/07/22/91/394072291.db2.gz QTQCNUTYCUATFK-KGLIPLIRSA-N 2 0 276.449 2.994 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000437781115 394074367 /nfs/dbraw/zinc/07/43/67/394074367.db2.gz FGIXJMOSFVYBRY-JYJNAYRXSA-N 2 0 280.456 2.656 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000128919487 394078466 /nfs/dbraw/zinc/07/84/66/394078466.db2.gz SSHOXYNQNMYZGE-QRTARXTBSA-N 2 0 281.488 2.568 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129238064 394085111 /nfs/dbraw/zinc/08/51/11/394085111.db2.gz MFHBERGXKGRSCS-GFCCVEGCSA-N 2 0 272.314 2.937 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCOC2CCCCC2)CC[N@@H+]1C ZINC000129827318 394094868 /nfs/dbraw/zinc/09/48/68/394094868.db2.gz XPOMHJIRSFJQQS-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000129972577 394098285 /nfs/dbraw/zinc/09/82/85/394098285.db2.gz ZQMYKMAIDYANMU-UHFFFAOYSA-N 2 0 286.423 2.694 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000358241086 394098653 /nfs/dbraw/zinc/09/86/53/394098653.db2.gz RSKXLBAHZBJLFL-WCVJEAGWSA-N 2 0 280.456 2.797 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000353481080 394031719 /nfs/dbraw/zinc/03/17/19/394031719.db2.gz CUZJAAVGLLUXDP-JYJNAYRXSA-N 2 0 270.461 2.902 20 0 CFADRP CSCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353525562 394031803 /nfs/dbraw/zinc/03/18/03/394031803.db2.gz HEWIYIKBFWHWDM-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353537150 394032421 /nfs/dbraw/zinc/03/24/21/394032421.db2.gz ZNMOQIFOFUVYHE-XMTFNYHQSA-N 2 0 293.499 2.713 20 0 CFADRP C[NH2+]CCC1CCN(c2nc3cccc(F)c3n2C)CC1 ZINC000420227625 394099964 /nfs/dbraw/zinc/09/99/64/394099964.db2.gz OPXUVSSMWZHUNA-UHFFFAOYSA-N 2 0 290.386 2.538 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC[NH+](C)CC1 ZINC000353624447 394033421 /nfs/dbraw/zinc/03/34/21/394033421.db2.gz QSICZASBZNCHRL-ZIAGYGMSSA-N 2 0 268.470 2.592 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353587811 394033448 /nfs/dbraw/zinc/03/34/48/394033448.db2.gz IZDUIZHVNQOHGV-LYYZXLFJSA-N 2 0 250.430 2.885 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000419208186 394033679 /nfs/dbraw/zinc/03/36/79/394033679.db2.gz QRZNSTIYRRDPJG-DLBZAZTESA-N 2 0 282.472 2.998 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000353744681 394036042 /nfs/dbraw/zinc/03/60/42/394036042.db2.gz HAROVGSHCODZIW-YOEHRIQHSA-N 2 0 288.435 2.926 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000282026809 394112478 /nfs/dbraw/zinc/11/24/78/394112478.db2.gz SRVDTOWJKGYKMA-GJZGRUSLSA-N 2 0 297.446 2.957 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000130593000 394114108 /nfs/dbraw/zinc/11/41/08/394114108.db2.gz KIBDRBDVQYEMQN-XHSDSOJGSA-N 2 0 274.408 2.563 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CNc1nc2ccccc2n1C ZINC000420278018 394114100 /nfs/dbraw/zinc/11/41/00/394114100.db2.gz NLWRVJYNGHWOFO-OAHLLOKOSA-N 2 0 294.402 2.670 20 0 CFADRP CCOC(=O)C1([N@H+](C)CCC2CC[NH2+]CC2)CCCCC1 ZINC000420363877 394118153 /nfs/dbraw/zinc/11/81/53/394118153.db2.gz PYASDCZXHWHYQF-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP Fc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420356201 394118283 /nfs/dbraw/zinc/11/82/83/394118283.db2.gz GCULKBCZBPGJGT-ZDUSSCGKSA-N 2 0 262.372 2.574 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000420385953 394119420 /nfs/dbraw/zinc/11/94/20/394119420.db2.gz HRKPWNRIXNHCKB-UHFFFAOYSA-N 2 0 286.423 2.530 20 0 CFADRP C[NH+](C)C1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000420631144 394121209 /nfs/dbraw/zinc/12/12/09/394121209.db2.gz UTRHUWNYWOACRO-UHFFFAOYSA-N 2 0 269.392 2.941 20 0 CFADRP CCc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000131383100 394131786 /nfs/dbraw/zinc/13/17/86/394131786.db2.gz ZECRESGWDFBOTH-GASCZTMLSA-N 2 0 294.439 2.821 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1(C)C ZINC000442888126 394140189 /nfs/dbraw/zinc/14/01/89/394140189.db2.gz FBAKWCFGCKTCTF-IRXDYDNUSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000285259047 394140737 /nfs/dbraw/zinc/14/07/37/394140737.db2.gz QHHOHBRTAGOKNU-KRWDZBQOSA-N 2 0 272.392 2.621 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000360060216 394144520 /nfs/dbraw/zinc/14/45/20/394144520.db2.gz SRAYAECWYIKCSE-VQIMIIECSA-N 2 0 299.462 2.673 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)CC(C)C)CC2)CC1 ZINC000420986489 394148015 /nfs/dbraw/zinc/14/80/15/394148015.db2.gz YOKFEWSLRLKHEH-KRWDZBQOSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000421366197 394203301 /nfs/dbraw/zinc/20/33/01/394203301.db2.gz BXSHNMBOKQNIKH-JYVUQVBGSA-N 2 0 270.486 2.979 20 0 CFADRP CC(C)(C)C1CCC(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000134748136 394204392 /nfs/dbraw/zinc/20/43/92/394204392.db2.gz MJKQIHZMNKLOKP-IRHLINNNSA-N 2 0 264.457 2.990 20 0 CFADRP CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860391 394205597 /nfs/dbraw/zinc/20/55/97/394205597.db2.gz FBEJVQCDSFBSAX-ZBFHGGJFSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422816544 394256691 /nfs/dbraw/zinc/25/66/91/394256691.db2.gz ARDGFXFSZKWQQQ-AWEZNQCLSA-N 3 0 267.461 2.501 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289177512 394215748 /nfs/dbraw/zinc/21/57/48/394215748.db2.gz IBAPTXDIMRPDAT-WMLDXEAASA-N 2 0 276.424 2.793 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H](O)c2ccccc2)CC1 ZINC000289187952 394216252 /nfs/dbraw/zinc/21/62/52/394216252.db2.gz BBMFVAUGJDOETG-QGZVFWFLSA-N 2 0 276.424 2.573 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CCc2cccc(C)c2)CC1 ZINC000449110297 394216515 /nfs/dbraw/zinc/21/65/15/394216515.db2.gz BXQCYJINTHKUIK-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000449130892 394223256 /nfs/dbraw/zinc/22/32/56/394223256.db2.gz IPIJUQVTYXVRDO-BSDSXHPESA-N 2 0 295.515 2.674 20 0 CFADRP C[NH+](C)Cc1cc(CNCc2ccncc2F)ccc1F ZINC000449152514 394231270 /nfs/dbraw/zinc/23/12/70/394231270.db2.gz GDBDBXMFEGFQDE-UHFFFAOYSA-N 2 0 291.345 2.711 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCC1 ZINC000449156468 394233486 /nfs/dbraw/zinc/23/34/86/394233486.db2.gz DJLDUOCEAGARET-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000449176728 394242758 /nfs/dbraw/zinc/24/27/58/394242758.db2.gz UFLMTWNTQBQTCW-VHDGCEQUSA-N 2 0 250.386 2.673 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H](C)O1 ZINC000449181266 394244362 /nfs/dbraw/zinc/24/43/62/394244362.db2.gz GFWHEQNUUTWWNS-DVOMOZLQSA-N 2 0 266.429 2.549 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421827225 394244798 /nfs/dbraw/zinc/24/47/98/394244798.db2.gz WVUDDCQVNHAUSD-RDJZCZTQSA-N 2 0 287.451 2.651 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422738060 394254285 /nfs/dbraw/zinc/25/42/85/394254285.db2.gz JBHVZHTWBVXZMJ-MPTYRVRUSA-N 2 0 275.440 2.537 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422752753 394254366 /nfs/dbraw/zinc/25/43/66/394254366.db2.gz FIEPGMOJJDORHE-YVSFHVDLSA-N 2 0 295.515 2.850 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000134169394 394190603 /nfs/dbraw/zinc/19/06/03/394190603.db2.gz KUDMACBJFTUNLP-UHFFFAOYSA-N 2 0 280.456 2.777 20 0 CFADRP C1C[NH2+][C@@H]([C@H]2COCC[C@H]2[NH2+][C@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000422787107 394255318 /nfs/dbraw/zinc/25/53/18/394255318.db2.gz LWJRXZPMSKLVQZ-OOOWVJFSSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422769135 394255323 /nfs/dbraw/zinc/25/53/23/394255323.db2.gz UMZMWSUEPCCBEJ-VVLHAWIVSA-N 2 0 295.515 2.993 20 0 CFADRP C1C[NH2+][C@H]([C@H]2COCC[C@H]2[NH2+][C@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000422787104 394255465 /nfs/dbraw/zinc/25/54/65/394255465.db2.gz LWJRXZPMSKLVQZ-CMURFVSUSA-N 2 0 292.467 2.702 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422972312 394260150 /nfs/dbraw/zinc/26/01/50/394260150.db2.gz KZMPAASFKOTQHW-IRKLFDGPSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423021467 394261084 /nfs/dbraw/zinc/26/10/84/394261084.db2.gz FEQHQNDAYZGFNK-TUVASFSCSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])C1(C)C ZINC000423051558 394262420 /nfs/dbraw/zinc/26/24/20/394262420.db2.gz OKVHZOOKEPILLB-RDBSUJKOSA-N 2 0 256.434 2.686 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069846 394262827 /nfs/dbraw/zinc/26/28/27/394262827.db2.gz MLKSUFHHTNBZOC-TZMCWYRMSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423072398 394263189 /nfs/dbraw/zinc/26/31/89/394263189.db2.gz HEJUCSPHARSFRT-SLEUVZQESA-N 2 0 282.815 2.824 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000423066545 394263507 /nfs/dbraw/zinc/26/35/07/394263507.db2.gz WZQSYSKSPJIJJL-TUKIKUTGSA-N 2 0 278.371 2.756 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c(C)c1 ZINC000151854769 394263648 /nfs/dbraw/zinc/26/36/48/394263648.db2.gz IEMWSHSWAICQTQ-MRXNPFEDSA-N 2 0 290.451 2.658 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000423076098 394263956 /nfs/dbraw/zinc/26/39/56/394263956.db2.gz QGWYLSJNDRMSIY-QGTPRVQTSA-N 2 0 285.435 2.738 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000423077857 394265137 /nfs/dbraw/zinc/26/51/37/394265137.db2.gz NAEKCBARTOKKEA-KFWWJZLASA-N 2 0 262.397 2.516 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423084222 394267004 /nfs/dbraw/zinc/26/70/04/394267004.db2.gz HCINKABVGCTLSJ-XYJFISCASA-N 2 0 287.451 2.620 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423084592 394267513 /nfs/dbraw/zinc/26/75/13/394267513.db2.gz ILLBJCPHRXZBIA-TWMKSMIVSA-N 2 0 293.499 2.617 20 0 CFADRP c1ccc(N2CCC(C[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000423084352 394267582 /nfs/dbraw/zinc/26/75/82/394267582.db2.gz HTCSVOXBPMMHNO-KRWDZBQOSA-N 2 0 287.451 2.635 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423083748 394267685 /nfs/dbraw/zinc/26/76/85/394267685.db2.gz GRVDGIXQMQOZKJ-GVDBMIGSSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000423088620 394268831 /nfs/dbraw/zinc/26/88/31/394268831.db2.gz SKAMITFJMREKQA-SJORKVTESA-N 2 0 267.376 2.667 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000423092183 394269217 /nfs/dbraw/zinc/26/92/17/394269217.db2.gz AWAMFWFNQRSWED-CABZTGNLSA-N 2 0 291.222 2.744 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000423092624 394269789 /nfs/dbraw/zinc/26/97/89/394269789.db2.gz CSIVWSPSABLFJI-XJKSGUPXSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423116187 394270500 /nfs/dbraw/zinc/27/05/00/394270500.db2.gz ZTWDTOAMTIGKCY-VWNJHIHFSA-N 2 0 272.392 2.630 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423151028 394272154 /nfs/dbraw/zinc/27/21/54/394272154.db2.gz ZPKIWEDKXNIYOU-WBMJQRKESA-N 2 0 280.387 2.547 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423215564 394273427 /nfs/dbraw/zinc/27/34/27/394273427.db2.gz QUOINKURLVCKSX-RHSMWYFYSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@H]1CCC[NH2+]C1 ZINC000423212629 394273488 /nfs/dbraw/zinc/27/34/88/394273488.db2.gz ISOICDCBMWHGCC-RVSPLBMKSA-N 2 0 274.408 2.747 20 0 CFADRP c1cncc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423213779 394273499 /nfs/dbraw/zinc/27/34/99/394273499.db2.gz OAMOALZFGQFQHE-XJKSGUPXSA-N 2 0 259.397 2.512 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000423223702 394274250 /nfs/dbraw/zinc/27/42/50/394274250.db2.gz HEZPHNFRRJARIS-ZANVPECISA-N 2 0 283.213 2.763 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)[C@H]1CCC[NH2+]C1 ZINC000423221775 394274266 /nfs/dbraw/zinc/27/42/66/394274266.db2.gz YBLCVKRTCPSZKJ-XEZPLFJOSA-N 2 0 274.408 2.747 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000449388723 394274446 /nfs/dbraw/zinc/27/44/46/394274446.db2.gz AYAGOVAYMQFYDW-HOTGVXAUSA-N 2 0 268.445 2.558 20 0 CFADRP FCC(CF)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449380248 394274914 /nfs/dbraw/zinc/27/49/14/394274914.db2.gz MKWFONIJCZZWGM-BHYGNILZSA-N 2 0 294.389 2.794 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1CCO ZINC000449391864 394274982 /nfs/dbraw/zinc/27/49/82/394274982.db2.gz IQLXIIGVSMTKIZ-HZPDHXFCSA-N 2 0 270.461 2.638 20 0 CFADRP CC[C@@H](NC[C@H]([NH3+])c1ccc(C(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000423251039 394275221 /nfs/dbraw/zinc/27/52/21/394275221.db2.gz VQNUWPSAVNVPRN-KSZLIROESA-N 2 0 289.467 2.930 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423286524 394276013 /nfs/dbraw/zinc/27/60/13/394276013.db2.gz HTLWKGPBXFZMAJ-RBSFLKMASA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCCOc3ccccc32)CCC[NH2+]C1 ZINC000423335309 394277572 /nfs/dbraw/zinc/27/75/72/394277572.db2.gz RNLYUPHSQMOUIF-DOTOQJQBSA-N 2 0 274.408 2.880 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000423386160 394279798 /nfs/dbraw/zinc/27/97/98/394279798.db2.gz RJJPYRVADAICLZ-VNHYZAJKSA-N 2 0 290.407 2.639 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423394763 394279813 /nfs/dbraw/zinc/27/98/13/394279813.db2.gz SHQYJHMCMWFYNP-CBBWQLFWSA-N 2 0 268.445 2.556 20 0 CFADRP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000423419732 394280502 /nfs/dbraw/zinc/28/05/02/394280502.db2.gz IZSWTLYAXXLVHF-JKSUJKDBSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@@H](C)O ZINC000449541689 394280709 /nfs/dbraw/zinc/28/07/09/394280709.db2.gz KTDPVLIXVPIKEZ-TXCZRRACSA-N 2 0 282.472 2.779 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C12CCCC2 ZINC000423426549 394281356 /nfs/dbraw/zinc/28/13/56/394281356.db2.gz FHOVYTLHMRKVLN-YVSFHVDLSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423441915 394281913 /nfs/dbraw/zinc/28/19/13/394281913.db2.gz BKDGTMVKOVKERT-QEFXCSQDSA-N 3 0 289.467 2.755 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423492900 394283538 /nfs/dbraw/zinc/28/35/38/394283538.db2.gz OXTAOTNYRQXOOP-JYJNAYRXSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423504061 394284863 /nfs/dbraw/zinc/28/48/63/394284863.db2.gz NIOVHPVOGHOOHL-SUMWQHHRSA-N 2 0 286.423 2.859 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C1(C)C ZINC000423509212 394285248 /nfs/dbraw/zinc/28/52/48/394285248.db2.gz OGTFMNYCTOMQFP-APIJFGDWSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1F ZINC000423509229 394285603 /nfs/dbraw/zinc/28/56/03/394285603.db2.gz OIRQOJMLQMIYSO-ZOWXZIJZSA-N 2 0 250.361 2.994 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCSC(C)(C)C)CC[C@H]21 ZINC000370284694 394285630 /nfs/dbraw/zinc/28/56/30/394285630.db2.gz FXXPHYALEWWWSU-UONOGXRCSA-N 2 0 270.486 2.934 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000423510122 394285945 /nfs/dbraw/zinc/28/59/45/394285945.db2.gz SDAKNNLLVPFBGE-JKSUJKDBSA-N 2 0 292.398 2.929 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1F ZINC000423514550 394287187 /nfs/dbraw/zinc/28/71/87/394287187.db2.gz SJRHYCHQRXCSMQ-GVXVVHGQSA-N 2 0 266.360 2.612 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000370730834 394288458 /nfs/dbraw/zinc/28/84/58/394288458.db2.gz QWSIOOCYNDZFSU-KFWWJZLASA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527611 394291196 /nfs/dbraw/zinc/29/11/96/394291196.db2.gz MVDUVICTRKADDJ-FVWHLNICSA-N 2 0 288.435 2.954 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000423530013 394291325 /nfs/dbraw/zinc/29/13/25/394291325.db2.gz QWDHOWSSTBWAPC-CYBMUJFWSA-N 2 0 262.397 2.878 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@H]2CCCC[NH+]2C[C@H]1C ZINC000450416722 394291753 /nfs/dbraw/zinc/29/17/53/394291753.db2.gz HPBVKZIIKPHEED-KURKYZTESA-N 2 0 293.499 2.808 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCCOC1 ZINC000423531588 394292074 /nfs/dbraw/zinc/29/20/74/394292074.db2.gz SWWWYLNNBBHTRH-ZWUZDTSZSA-N 2 0 292.467 2.545 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468237 394293060 /nfs/dbraw/zinc/29/30/60/394293060.db2.gz NOFZUPNWXDFIOP-IKGGRYGDSA-N 2 0 281.488 2.664 20 0 CFADRP CCC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423536015 394293389 /nfs/dbraw/zinc/29/33/89/394293389.db2.gz GFWWOSYHDRHLJV-INIZCTEOSA-N 2 0 259.397 2.822 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000423537160 394293810 /nfs/dbraw/zinc/29/38/10/394293810.db2.gz BWKDWNUAWCMUAQ-JZAWBGDQSA-N 2 0 294.483 2.804 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000423538649 394294177 /nfs/dbraw/zinc/29/41/77/394294177.db2.gz GSWQQHWXNWGNNZ-ARKGTOAJSA-N 2 0 280.456 2.556 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423548033 394295717 /nfs/dbraw/zinc/29/57/17/394295717.db2.gz GKMFPHGERDPVFA-QGZVFWFLSA-N 2 0 256.393 2.963 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549153 394295726 /nfs/dbraw/zinc/29/57/26/394295726.db2.gz HKQGOXBABXBPTP-SFHVURJKSA-N 2 0 286.419 2.972 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423547996 394295745 /nfs/dbraw/zinc/29/57/45/394295745.db2.gz GJPJPVQINJOINX-ZDUSSCGKSA-N 2 0 287.407 2.605 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423554408 394296434 /nfs/dbraw/zinc/29/64/34/394296434.db2.gz HFHLZVSWTRQLHT-INIZCTEOSA-N 2 0 289.467 2.614 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CCC2)c1 ZINC000423550231 394296634 /nfs/dbraw/zinc/29/66/34/394296634.db2.gz SRRKLSDKHVYFKE-BZZMCLGOSA-N 2 0 285.435 2.901 20 0 CFADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000154593212 394297643 /nfs/dbraw/zinc/29/76/43/394297643.db2.gz QOCFLEYOVPMAET-USXIJHARSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cnn(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000372018951 394304726 /nfs/dbraw/zinc/30/47/26/394304726.db2.gz NGOKAYAVSLJJNJ-INIZCTEOSA-N 2 0 290.455 2.703 20 0 CFADRP CC(C)N1CCCC[C@H]1C[N@H+](C)CC1CCOCC1 ZINC000450663069 394313021 /nfs/dbraw/zinc/31/30/21/394313021.db2.gz XUROQLYRWCAPTN-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000493788885 394316642 /nfs/dbraw/zinc/31/66/42/394316642.db2.gz DVWMBNFWAYEWCA-IXDOHACOSA-N 2 0 292.467 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157218987 394343035 /nfs/dbraw/zinc/34/30/35/394343035.db2.gz YCUVPEZPNKUIOX-WBMJQRKESA-N 2 0 282.378 2.827 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000451004957 394346346 /nfs/dbraw/zinc/34/63/46/394346346.db2.gz QYMMARDEUZJOSV-SQNIBIBYSA-N 2 0 293.499 2.808 20 0 CFADRP C[C@@H]1C[NH+](CCCC[N@@H+]2CCS[C@H](C)C2)CCS1 ZINC000157902976 394351695 /nfs/dbraw/zinc/35/16/95/394351695.db2.gz PTRQKFXQHJGDJE-ZIAGYGMSSA-N 2 0 288.526 2.641 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000158222989 394356224 /nfs/dbraw/zinc/35/62/24/394356224.db2.gz HQFYPOBSXGTKHX-UONOGXRCSA-N 2 0 293.430 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000158374276 394357009 /nfs/dbraw/zinc/35/70/09/394357009.db2.gz SKOMZHMGZDZUAU-WBTNSWJXSA-N 2 0 288.435 2.871 20 0 CFADRP c1ccc(C2([NH2+]CC[C@@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000518739768 394371395 /nfs/dbraw/zinc/37/13/95/394371395.db2.gz SAEYMIQSXBNZLZ-INIZCTEOSA-N 2 0 288.435 2.672 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)c2nccn21 ZINC000453057307 394381404 /nfs/dbraw/zinc/38/14/04/394381404.db2.gz HXAMHMRTRJLFAE-JKSUJKDBSA-N 2 0 290.455 2.991 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000521858956 394381524 /nfs/dbraw/zinc/38/15/24/394381524.db2.gz FMRNHEJFFJJFJA-ZDUSSCGKSA-N 2 0 252.377 2.736 20 0 CFADRP c1nc2c([nH]1)C[C@H]([NH2+][C@@H](C1CC1)C1CCCC1)CC2 ZINC000453245981 394382624 /nfs/dbraw/zinc/38/26/24/394382624.db2.gz GJGDIUOESWDUSQ-CZUORRHYSA-N 2 0 259.397 2.825 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2CC)[C@H](C)C1 ZINC000453308273 394384187 /nfs/dbraw/zinc/38/41/87/394384187.db2.gz MXYRRZHCCVKCRH-NCOADZHNSA-N 2 0 282.472 2.759 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453390072 394394642 /nfs/dbraw/zinc/39/46/42/394394642.db2.gz CVYUAMUBWMVRDC-NWANDNLSSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000453316798 394384728 /nfs/dbraw/zinc/38/47/28/394384728.db2.gz IVHBLZNOJZQECT-SIRPWMCASA-N 2 0 282.472 2.756 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000453341923 394388092 /nfs/dbraw/zinc/38/80/92/394388092.db2.gz HOPYQNRVYHWGOM-UKRRQHHQSA-N 2 0 264.388 2.749 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393186 394395562 /nfs/dbraw/zinc/39/55/62/394395562.db2.gz FNWLSTKHAMNZHG-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)O1 ZINC000453407694 394398749 /nfs/dbraw/zinc/39/87/49/394398749.db2.gz MJKUPHNZIOSNDQ-WMLDXEAASA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211987016 542889207 /nfs/dbraw/zinc/88/92/07/542889207.db2.gz PLEXOOLALBQERR-KRWDZBQOSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccncc1F ZINC000453417765 394400815 /nfs/dbraw/zinc/40/08/15/394400815.db2.gz XZVAHZXLJYPACZ-GFCCVEGCSA-N 2 0 265.376 2.746 20 0 CFADRP CCCc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000685456997 542916659 /nfs/dbraw/zinc/91/66/59/542916659.db2.gz WHNMPXKFHKLQAM-UHFFFAOYSA-N 2 0 291.483 2.564 20 0 CFADRP C[C@H](CF)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000685473332 542921771 /nfs/dbraw/zinc/92/17/71/542921771.db2.gz HNPHPSFCFMUDCD-UMVBOHGHSA-N 2 0 256.409 2.977 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000685562376 542926932 /nfs/dbraw/zinc/92/69/32/542926932.db2.gz BSZVKANALDZCAA-UHFFFAOYSA-N 2 0 279.428 2.844 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000527805361 394410603 /nfs/dbraw/zinc/41/06/03/394410603.db2.gz DKTPDPYXLIBOPM-MRXNPFEDSA-N 2 0 274.408 2.802 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)OCC ZINC000527926663 394427200 /nfs/dbraw/zinc/42/72/00/394427200.db2.gz BJNVULPICWQCOL-FPCVCCKLSA-N 2 0 268.445 2.654 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCN1C1CCCCC1 ZINC000527947027 394429907 /nfs/dbraw/zinc/42/99/07/394429907.db2.gz JMUOLIXPSLBRIF-IAGOWNOFSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530178326 394472378 /nfs/dbraw/zinc/47/23/78/394472378.db2.gz KCRIVQUJVXFVIS-KBAYOESNSA-N 2 0 299.462 2.696 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000530179194 394473552 /nfs/dbraw/zinc/47/35/52/394473552.db2.gz QLHJQRQELFYOJW-NXHRZFHOSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000530212184 394481999 /nfs/dbraw/zinc/48/19/99/394481999.db2.gz PNHSDKAJGJEYEL-MLGOLLRUSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000530218515 394485717 /nfs/dbraw/zinc/48/57/17/394485717.db2.gz GOEXWIIEBYULMQ-GVDBMIGSSA-N 2 0 273.424 2.790 20 0 CFADRP Clc1cccnc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000530220888 394487665 /nfs/dbraw/zinc/48/76/65/394487665.db2.gz KAJXLANQVSMGJG-CQSZACIVSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238550 394494117 /nfs/dbraw/zinc/49/41/17/394494117.db2.gz AODLDENFUWWKDA-QAPCUYQASA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530237874 394494523 /nfs/dbraw/zinc/49/45/23/394494523.db2.gz GDRHPOHCZPBOND-GOSISDBHSA-N 2 0 288.435 2.586 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000537967457 394596384 /nfs/dbraw/zinc/59/63/84/394596384.db2.gz KJEFOMOLEGLCKJ-KBXCAEBGSA-N 2 0 268.404 2.922 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000539092145 394621796 /nfs/dbraw/zinc/62/17/96/394621796.db2.gz XTJBEHSPEYNMFJ-DOTOQJQBSA-N 2 0 276.424 2.612 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000540744221 394652470 /nfs/dbraw/zinc/65/24/70/394652470.db2.gz CTXKDFSGBBVYKU-PBHICJAKSA-N 2 0 275.440 2.809 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000543408891 394729327 /nfs/dbraw/zinc/72/93/27/394729327.db2.gz ANSWNTFUCJDUFC-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000542464633 394704600 /nfs/dbraw/zinc/70/46/00/394704600.db2.gz CNGXJLGOKVJADP-YHUYYLMFSA-N 2 0 250.430 2.887 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCS1 ZINC000544370306 394758161 /nfs/dbraw/zinc/75/81/61/394758161.db2.gz GZGATEBJYFHIRK-HNNXBMFYSA-N 2 0 268.470 2.736 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1 ZINC000544847266 394772465 /nfs/dbraw/zinc/77/24/65/394772465.db2.gz LHBIEXLZBYEHTC-KBPBESRZSA-N 2 0 269.392 2.860 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000546626567 394833817 /nfs/dbraw/zinc/83/38/17/394833817.db2.gz FTDFLNWTYHUKFJ-LTIDMASMSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C2 ZINC000685665867 542941020 /nfs/dbraw/zinc/94/10/20/542941020.db2.gz YGAMYXHLSAXCHZ-WMLDXEAASA-N 2 0 288.435 2.618 20 0 CFADRP COCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000532290190 542961396 /nfs/dbraw/zinc/96/13/96/542961396.db2.gz LEEGPFTUIQDEIT-YESZJQIVSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccccc23)C[N@@H+]1C1CC1 ZINC000685909916 542956462 /nfs/dbraw/zinc/95/64/62/542956462.db2.gz KFZDKWOWJJMWAK-OLZOCXBDSA-N 2 0 267.376 2.694 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166176182 542958688 /nfs/dbraw/zinc/95/86/88/542958688.db2.gz OKXDZMKBXJXOGG-XMTFNYHQSA-N 2 0 293.499 2.571 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc2cnccc21 ZINC000061124821 542965734 /nfs/dbraw/zinc/96/57/34/542965734.db2.gz CQPYMCLYVQYPJY-UHFFFAOYSA-N 2 0 271.408 2.912 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166616328 542966422 /nfs/dbraw/zinc/96/64/22/542966422.db2.gz NEVNTVFARUNFKR-ZIFCJYIRSA-N 2 0 299.462 2.872 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000548317550 394922704 /nfs/dbraw/zinc/92/27/04/394922704.db2.gz HBZHISUERZBFOO-UKRRQHHQSA-N 2 0 285.391 2.514 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166722089 542966776 /nfs/dbraw/zinc/96/67/76/542966776.db2.gz YBIPZEMJNSTCQJ-IXDOHACOSA-N 2 0 288.435 2.979 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166721870 542966835 /nfs/dbraw/zinc/96/68/35/542966835.db2.gz YBIPZEMJNSTCQJ-BRWVUGGUSA-N 2 0 288.435 2.979 20 0 CFADRP COCC1([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483941 394935033 /nfs/dbraw/zinc/93/50/33/394935033.db2.gz HQGXNXKNIMQVCB-NVXWUHKLSA-N 2 0 288.435 2.666 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000166846306 542966942 /nfs/dbraw/zinc/96/69/42/542966942.db2.gz KDDQFVNOSXTDTO-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000548732319 394949820 /nfs/dbraw/zinc/94/98/20/394949820.db2.gz YIEGRZDXSBFHHZ-UHFFFAOYSA-N 3 0 295.515 2.915 20 0 CFADRP FC[C@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@@H]1CF ZINC000555696676 394981483 /nfs/dbraw/zinc/98/14/83/394981483.db2.gz CAJVEYLGPDVNMS-ZIAGYGMSSA-N 2 0 260.372 2.634 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000556166228 394993302 /nfs/dbraw/zinc/99/33/02/394993302.db2.gz KLRNBMCHHFHMPY-UKRRQHHQSA-N 2 0 250.386 2.531 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000556760070 395012873 /nfs/dbraw/zinc/01/28/73/395012873.db2.gz KJIKRQJUIFQRDB-DJIMGWMZSA-N 2 0 258.409 2.722 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC[NH+](C)CC1 ZINC000555002362 394963592 /nfs/dbraw/zinc/96/35/92/394963592.db2.gz CBKFODHFSNSQRB-MJBXVCDLSA-N 2 0 268.470 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@@H]3CCC[C@@H](C)C3)[C@H]2C1 ZINC000555592960 394977720 /nfs/dbraw/zinc/97/77/20/394977720.db2.gz LPWGXJCHBPTUSD-WCXIOVBPSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)N1CCC(C)CC1 ZINC000558696811 395071704 /nfs/dbraw/zinc/07/17/04/395071704.db2.gz FKOZVZVHDHQHIK-QKPAOTATSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)CC[N@@H+]1C ZINC000558698088 395072434 /nfs/dbraw/zinc/07/24/34/395072434.db2.gz NVRYHYQSBHMFAN-UWVGGRQHSA-N 2 0 252.324 2.647 20 0 CFADRP CC1CCC([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000557756881 395046018 /nfs/dbraw/zinc/04/60/18/395046018.db2.gz STUKBMCBBLMNKF-UHFFFAOYSA-N 3 0 293.499 2.713 20 0 CFADRP c1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCS2)cc1 ZINC000648406500 395128927 /nfs/dbraw/zinc/12/89/27/395128927.db2.gz LMMDPFSYDPQXKO-INIZCTEOSA-N 2 0 276.449 2.776 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC000648448274 395147632 /nfs/dbraw/zinc/14/76/32/395147632.db2.gz VESDTTQDBNCAHT-HRCADAONSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000648450521 395148379 /nfs/dbraw/zinc/14/83/79/395148379.db2.gz QTSIRYUJAMQSCX-CVYDXHPNSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000648450524 395149047 /nfs/dbraw/zinc/14/90/47/395149047.db2.gz QTSIRYUJAMQSCX-MUQADHOPSA-N 2 0 293.499 2.569 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648450895 395149121 /nfs/dbraw/zinc/14/91/21/395149121.db2.gz SYAQMOHZPURZOX-YJBOKZPZSA-N 2 0 272.436 2.865 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000648455347 395151059 /nfs/dbraw/zinc/15/10/59/395151059.db2.gz MRWLHPSPORCWEJ-HZPDHXFCSA-N 2 0 294.414 2.935 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000179991596 543009681 /nfs/dbraw/zinc/00/96/81/543009681.db2.gz MLQKFQKFWCRIJV-GDBMZVCRSA-N 2 0 275.440 2.951 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000648515741 395181150 /nfs/dbraw/zinc/18/11/50/395181150.db2.gz XWYRMIIXQXPSEE-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000180560258 543014203 /nfs/dbraw/zinc/01/42/03/543014203.db2.gz VVMSJDYAONKLLL-FZMZJTMJSA-N 2 0 266.433 2.735 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000180974449 543017244 /nfs/dbraw/zinc/01/72/44/543017244.db2.gz NEOLCNGLNRFOGP-HIFRSBDPSA-N 2 0 278.444 2.737 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000647129829 395167355 /nfs/dbraw/zinc/16/73/55/395167355.db2.gz BYUOOSGRYUVEJW-ZIAGYGMSSA-N 2 0 288.395 2.748 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000647129828 395167800 /nfs/dbraw/zinc/16/78/00/395167800.db2.gz BYUOOSGRYUVEJW-UONOGXRCSA-N 2 0 288.395 2.748 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647217562 395234687 /nfs/dbraw/zinc/23/46/87/395234687.db2.gz WRMKWJKXXXOZFS-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CCO1 ZINC000648519071 395183239 /nfs/dbraw/zinc/18/32/39/395183239.db2.gz UQVLVRZDWJPDCJ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171166 395197615 /nfs/dbraw/zinc/19/76/15/395197615.db2.gz BPXALOKZNKUUEJ-FZKCQIBNSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000647176309 395202091 /nfs/dbraw/zinc/20/20/91/395202091.db2.gz BDDPRGSFOWSFEH-RHSMWYFYSA-N 2 0 276.424 2.794 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648590341 395209143 /nfs/dbraw/zinc/20/91/43/395209143.db2.gz TVNOWOCUJIDFOF-KFWWJZLASA-N 2 0 256.434 2.654 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000648594422 395212720 /nfs/dbraw/zinc/21/27/20/395212720.db2.gz JFGGRUWIPFEKQB-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647299316 395278763 /nfs/dbraw/zinc/27/87/63/395278763.db2.gz YPSVNDMEHLUHLG-CQSZACIVSA-N 2 0 290.455 2.602 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@H](C)C1 ZINC000647349150 395309087 /nfs/dbraw/zinc/30/90/87/395309087.db2.gz AXJYGQWJSREMPG-URGYJCLVSA-N 2 0 256.409 2.835 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000647258379 395261982 /nfs/dbraw/zinc/26/19/82/395261982.db2.gz BKZJUYMEQUEQHS-IUODEOHRSA-N 2 0 288.420 2.559 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480498 395353749 /nfs/dbraw/zinc/35/37/49/395353749.db2.gz POCWPKJJPVNWRF-NVXWUHKLSA-N 2 0 287.451 2.717 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1C ZINC000647479700 395354037 /nfs/dbraw/zinc/35/40/37/395354037.db2.gz QELKFCDXEWJDLB-IRXDYDNUSA-N 2 0 288.435 2.968 20 0 CFADRP CCc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647482904 395354909 /nfs/dbraw/zinc/35/49/09/395354909.db2.gz IGQBMJYKDUPOPF-UHFFFAOYSA-N 2 0 258.409 2.965 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@@H]1[NH3+] ZINC000647497232 395359984 /nfs/dbraw/zinc/35/99/84/395359984.db2.gz AKKAXSSCBSQAPF-DYVFJYSZSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1[NH3+] ZINC000647497516 395360195 /nfs/dbraw/zinc/36/01/95/395360195.db2.gz JPOQMRHVEHGNRK-ZBFHGGJFSA-N 2 0 288.435 2.959 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1[NH3+] ZINC000647497515 395360616 /nfs/dbraw/zinc/36/06/16/395360616.db2.gz JPOQMRHVEHGNRK-HOCLYGCPSA-N 2 0 288.435 2.959 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4cnccc43)C[C@H]21 ZINC000647511963 395367191 /nfs/dbraw/zinc/36/71/91/395367191.db2.gz WKWMWQOTQKSLRI-CGTJXYLNSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4cnccc4c3)C[C@@H]21 ZINC000647511860 395367487 /nfs/dbraw/zinc/36/74/87/395367487.db2.gz NHBJIRCPXXNHPJ-OKZBNKHCSA-N 2 0 281.403 2.794 20 0 CFADRP c1ccc([C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000647516350 395370502 /nfs/dbraw/zinc/37/05/02/395370502.db2.gz HGARRZHYLPNNDZ-HOCLYGCPSA-N 2 0 276.449 2.776 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000647535798 395380791 /nfs/dbraw/zinc/38/07/91/395380791.db2.gz OQIPNRUEFKODCR-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP c1cc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2cn1 ZINC000647541496 395383206 /nfs/dbraw/zinc/38/32/06/395383206.db2.gz LJUVBQVOMWXFAK-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543002 395384309 /nfs/dbraw/zinc/38/43/09/395384309.db2.gz GKOFCPXWKNNQSA-GJZGRUSLSA-N 2 0 293.480 2.972 20 0 CFADRP CC(C)(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000647542486 395384345 /nfs/dbraw/zinc/38/43/45/395384345.db2.gz XOVDUICLCUCHTF-ZBFHGGJFSA-N 2 0 258.409 2.648 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543080 395384624 /nfs/dbraw/zinc/38/46/24/395384624.db2.gz HJPHATIAFHRYBT-JKSUJKDBSA-N 2 0 290.455 2.676 20 0 CFADRP c1cc2cnccc2c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000647542568 395384666 /nfs/dbraw/zinc/38/46/66/395384666.db2.gz FOEQFKJSXMSYEG-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542872 395384791 /nfs/dbraw/zinc/38/47/91/395384791.db2.gz DEBYTGRUMISJKM-ZIAGYGMSSA-N 2 0 264.438 2.960 20 0 CFADRP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543979 395385605 /nfs/dbraw/zinc/38/56/05/395385605.db2.gz VEURSORLOAAXIU-UONOGXRCSA-N 2 0 279.453 2.663 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543819 395386181 /nfs/dbraw/zinc/38/61/81/395386181.db2.gz SJZWBALNNATIGW-UONOGXRCSA-N 2 0 293.480 2.917 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)NCC2 ZINC000647543840 395386296 /nfs/dbraw/zinc/38/62/96/395386296.db2.gz STQKVKHSQMRSBP-SJORKVTESA-N 2 0 299.462 2.866 20 0 CFADRP Clc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549294 395388385 /nfs/dbraw/zinc/38/83/85/395388385.db2.gz RAYYBWJJCZAPIC-QLFBSQMISA-N 2 0 278.827 2.860 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647549730 395388451 /nfs/dbraw/zinc/38/84/51/395388451.db2.gz OHGRSTMXPMDMDP-IXDOHACOSA-N 2 0 288.435 2.952 20 0 CFADRP Clc1cccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647550141 395389170 /nfs/dbraw/zinc/38/91/70/395389170.db2.gz BUEUCPASUQCNFQ-KCQAQPDRSA-N 2 0 294.826 2.697 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000647551011 395389674 /nfs/dbraw/zinc/38/96/74/395389674.db2.gz SNMXWUTUMMIXTL-MELADBBJSA-N 2 0 293.480 2.787 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647551417 395390776 /nfs/dbraw/zinc/39/07/76/395390776.db2.gz NHMTYRFHMCXPLZ-QLFBSQMISA-N 2 0 276.449 2.886 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000647552777 395391742 /nfs/dbraw/zinc/39/17/42/395391742.db2.gz WLZIVZOQUYJODB-ZJUUUORDSA-N 2 0 276.302 2.801 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000647553339 395391911 /nfs/dbraw/zinc/39/19/11/395391911.db2.gz UJRZSLQLWAMYBZ-RTBURBONSA-N 2 0 295.430 2.728 20 0 CFADRP COc1ccccc1C1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000647552978 395392204 /nfs/dbraw/zinc/39/22/04/395392204.db2.gz IIUJEBPEESYUBU-KBPBESRZSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]1CCC[N@H+](CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000647856995 395446329 /nfs/dbraw/zinc/44/63/29/395446329.db2.gz ZVHDFNNSIBSNAW-LBPRGKRZSA-N 2 0 258.369 2.707 20 0 CFADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000647874697 395449339 /nfs/dbraw/zinc/44/93/39/395449339.db2.gz NKPCBWJIVIULEF-HOCLYGCPSA-N 2 0 276.424 2.558 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647878600 395450227 /nfs/dbraw/zinc/45/02/27/395450227.db2.gz SQJAEHOYOZSSPZ-CQSZACIVSA-N 2 0 250.361 2.647 20 0 CFADRP Cc1ccc(C[N@H+](CC[C@H]2CCC[NH2+]C2)CC2CC2)cn1 ZINC000647995337 395475028 /nfs/dbraw/zinc/47/50/28/395475028.db2.gz PIOMOFJCRGLUAV-MRXNPFEDSA-N 2 0 287.451 2.992 20 0 CFADRP Fc1cccc(CC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000647880908 395450921 /nfs/dbraw/zinc/45/09/21/395450921.db2.gz AXCINBDBDNKALQ-INIZCTEOSA-N 2 0 276.399 2.690 20 0 CFADRP Cc1ccc(C[C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647883455 395451305 /nfs/dbraw/zinc/45/13/05/395451305.db2.gz SDQLEKBXYCKFAA-MSOLQXFVSA-N 2 0 272.436 2.859 20 0 CFADRP Cc1ccc(C)c(OC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647881640 395451751 /nfs/dbraw/zinc/45/17/51/395451751.db2.gz YAWLFKKOUSFKSR-MRXNPFEDSA-N 2 0 288.435 2.756 20 0 CFADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884371 395452588 /nfs/dbraw/zinc/45/25/88/395452588.db2.gz HXXBTOXPFLQJNK-HOCLYGCPSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H]1SCC[N@H+](C[C@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000647886069 395453080 /nfs/dbraw/zinc/45/30/80/395453080.db2.gz NIGFGBDUJGIKTA-OFQRWUPVSA-N 2 0 276.449 2.775 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647889500 395453121 /nfs/dbraw/zinc/45/31/21/395453121.db2.gz YVLMOSCQNCCLLT-DLBZAZTESA-N 2 0 260.425 2.857 20 0 CFADRP CO[C@@H](C)C[N@H+](CCCC1CC[NH2+]CC1)C(C)C ZINC000647886775 395453515 /nfs/dbraw/zinc/45/35/15/395453515.db2.gz SHTPHZWFOLKUIY-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP Fc1cccc([C@H]2CC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000647890096 395453973 /nfs/dbraw/zinc/45/39/73/395453973.db2.gz PPAHGGBHKDSAAV-MRXNPFEDSA-N 2 0 262.372 2.962 20 0 CFADRP c1ccc([C@@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647890166 395454080 /nfs/dbraw/zinc/45/40/80/395454080.db2.gz VZWUYIUZIIBQED-SFHVURJKSA-N 2 0 288.435 2.840 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890807 395454301 /nfs/dbraw/zinc/45/43/01/395454301.db2.gz XQGGEHUJKRWUKL-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP c1ccc2c(c1)CCC[C@@]21CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890721 395454353 /nfs/dbraw/zinc/45/43/53/395454353.db2.gz JVDHUEWLRVRDDO-APWZRJJASA-N 2 0 284.447 2.966 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647890042 395454414 /nfs/dbraw/zinc/45/44/14/395454414.db2.gz IRGHWLHNQPRTSB-NVXWUHKLSA-N 2 0 278.415 2.934 20 0 CFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000647988800 395473768 /nfs/dbraw/zinc/47/37/68/395473768.db2.gz ORUJJTKAZUVPHP-QGZVFWFLSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647934467 395460798 /nfs/dbraw/zinc/46/07/98/395460798.db2.gz GOLBFBYYRPWXRH-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOc2ccccc2C)CC[C@H]1[NH3+] ZINC000647936646 395461600 /nfs/dbraw/zinc/46/16/00/395461600.db2.gz JBDXWLNMZIGVHC-HZPDHXFCSA-N 2 0 276.424 2.823 20 0 CFADRP FCCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977871 395471454 /nfs/dbraw/zinc/47/14/54/395471454.db2.gz JFELNIKHSPJESC-LSDHHAIUSA-N 2 0 256.409 2.838 20 0 CFADRP CC(C)n1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977477 395471514 /nfs/dbraw/zinc/47/15/14/395471514.db2.gz CFVROGHZQVTCPV-CVEARBPZSA-N 2 0 290.455 2.676 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000647977538 395471721 /nfs/dbraw/zinc/47/17/21/395471721.db2.gz DCDABEHOIXQPSZ-GVDBMIGSSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786649 395427816 /nfs/dbraw/zinc/42/78/16/395427816.db2.gz UUEZRDKWVMVRHS-YWPYICTPSA-N 2 0 294.826 2.826 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c21 ZINC000647785967 395427861 /nfs/dbraw/zinc/42/78/61/395427861.db2.gz GYEUMHPCDSSSQV-BHYGNILZSA-N 2 0 297.446 2.997 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786230 395428095 /nfs/dbraw/zinc/42/80/95/395428095.db2.gz LHIKQSTYAPRDMP-IIAWOOMASA-N 2 0 292.398 2.572 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647788850 395429039 /nfs/dbraw/zinc/42/90/39/395429039.db2.gz SPQKRNPALMNPLT-LTIDMASMSA-N 2 0 288.435 2.740 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789952 395429718 /nfs/dbraw/zinc/42/97/18/395429718.db2.gz OHTLGOVWVBBMKV-DJIMGWMZSA-N 2 0 288.435 2.871 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789457 395429932 /nfs/dbraw/zinc/42/99/32/395429932.db2.gz FWXXIFGBSYAFJW-OWCLPIDISA-N 2 0 274.408 2.563 20 0 CFADRP c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793251 395430214 /nfs/dbraw/zinc/43/02/14/395430214.db2.gz QKNRZTXKFGYLAB-OUPALVCYSA-N 2 0 282.431 2.550 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647793608 395430278 /nfs/dbraw/zinc/43/02/78/395430278.db2.gz BTZCYNAPNRXSOD-MZBWOGCUSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647793277 395430329 /nfs/dbraw/zinc/43/03/29/395430329.db2.gz RSMQLIXKGDVSLS-ARLBYUKCSA-N 2 0 276.424 2.887 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647793610 395430506 /nfs/dbraw/zinc/43/05/06/395430506.db2.gz BTZCYNAPNRXSOD-ZHCJQAHYSA-N 2 0 280.456 2.558 20 0 CFADRP c1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647791773 395430581 /nfs/dbraw/zinc/43/05/81/395430581.db2.gz MSTWDMXYBUXKAK-SQWLQELKSA-N 2 0 256.393 2.653 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793936 395431355 /nfs/dbraw/zinc/43/13/55/395431355.db2.gz MOLQDVGRWZVPPF-UWEUSHKOSA-N 2 0 280.456 2.700 20 0 CFADRP c1cc2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2[nH]1 ZINC000647796503 395431953 /nfs/dbraw/zinc/43/19/53/395431953.db2.gz BGOPZANSPBEURY-YESZJQIVSA-N 2 0 283.419 2.688 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795044 395431964 /nfs/dbraw/zinc/43/19/64/395431964.db2.gz ILXJJGFZGXKXGQ-WRWGMCAJSA-N 2 0 264.335 2.695 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647798253 395432779 /nfs/dbraw/zinc/43/27/79/395432779.db2.gz NRVRYGXTINXLAN-UVPYHEFZSA-N 2 0 250.430 2.933 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647798830 395433421 /nfs/dbraw/zinc/43/34/21/395433421.db2.gz XZFSKSIXSVRTOZ-OKZBNKHCSA-N 2 0 270.420 2.850 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647798758 395433502 /nfs/dbraw/zinc/43/35/02/395433502.db2.gz WHPAAJRFXRAPLP-OWCLPIDISA-N 2 0 276.399 2.654 20 0 CFADRP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804005 395436816 /nfs/dbraw/zinc/43/68/16/395436816.db2.gz HOLLLXSYSAHIGX-KTCIRNNBSA-N 2 0 276.346 2.980 20 0 CFADRP Cc1ccccc1OCCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814861 395438571 /nfs/dbraw/zinc/43/85/71/395438571.db2.gz IWPBAWUCKIIBQD-UHFFFAOYSA-N 2 0 288.435 2.980 20 0 CFADRP c1ccc(COCCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814759 395438723 /nfs/dbraw/zinc/43/87/23/395438723.db2.gz DQPWATDRHYCHDS-UHFFFAOYSA-N 2 0 288.435 2.810 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000647848965 395444928 /nfs/dbraw/zinc/44/49/28/395444928.db2.gz BKUSZEHZZFFDHJ-UHFFFAOYSA-N 2 0 297.402 2.720 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649486424 395506729 /nfs/dbraw/zinc/50/67/29/395506729.db2.gz LXLNZAPMEWVHFF-GOSISDBHSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCCO)C2)s1 ZINC000649603951 395537273 /nfs/dbraw/zinc/53/72/73/395537273.db2.gz KGQUEQARGWAELA-OAHLLOKOSA-N 2 0 296.480 2.583 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2CC(C)C)C[C@@H]1C ZINC000648010282 395479787 /nfs/dbraw/zinc/47/97/87/395479787.db2.gz TXIAEKUATKDCQK-JKSUJKDBSA-N 2 0 292.471 2.844 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CC[C@@H]1CCCC[NH+]1C ZINC000649413789 395489287 /nfs/dbraw/zinc/48/92/87/395489287.db2.gz FRLTXCGDZVFAJN-KRWDZBQOSA-N 3 0 281.488 2.572 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649418189 395490707 /nfs/dbraw/zinc/49/07/07/395490707.db2.gz FSODRFYDSJIHIL-KGLIPLIRSA-N 2 0 293.842 2.947 20 0 CFADRP CCc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000648071822 395497532 /nfs/dbraw/zinc/49/75/32/395497532.db2.gz WDPCOJCBTBNJJU-UHFFFAOYSA-N 2 0 294.464 2.607 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072229 395497579 /nfs/dbraw/zinc/49/75/79/395497579.db2.gz RXRLRPSIEWCFCD-IAGOWNOFSA-N 2 0 292.467 2.775 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000037209581 543027839 /nfs/dbraw/zinc/02/78/39/543027839.db2.gz DUVVIJXCJYJKPB-HOTGVXAUSA-N 3 0 281.488 2.571 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000310100572 413083970 /nfs/dbraw/zinc/08/39/70/413083970.db2.gz BHKZSZUCJYDQAQ-JSGCOSHPSA-N 2 0 250.411 2.617 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)C)CC1 ZINC000312680222 413092940 /nfs/dbraw/zinc/09/29/40/413092940.db2.gz CYEOSMNKSBKAJO-HOTGVXAUSA-N 2 0 284.488 2.836 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000340518375 292077645 /nfs/dbraw/zinc/07/76/45/292077645.db2.gz SHNUWMFJZYFNLA-KGLIPLIRSA-N 2 0 256.434 2.654 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000315121441 413097896 /nfs/dbraw/zinc/09/78/96/413097896.db2.gz SFWLOWREDQUJIO-MRXNPFEDSA-N 2 0 293.414 2.980 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401143610 413160478 /nfs/dbraw/zinc/16/04/78/413160478.db2.gz NICYQGPKVCIJGM-BFHYXJOUSA-N 2 0 296.361 2.766 20 0 CFADRP FC1(F)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401008254 413161239 /nfs/dbraw/zinc/16/12/39/413161239.db2.gz QFONPAXRNJBOHV-DMDPSCGWSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC000401150139 413163455 /nfs/dbraw/zinc/16/34/55/413163455.db2.gz PFOLQBMCOGYEDI-FIQHERPVSA-N 2 0 264.335 2.553 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000401164541 413164537 /nfs/dbraw/zinc/16/45/37/413164537.db2.gz URYBWEFLNMKKND-YESZJQIVSA-N 3 0 293.499 2.619 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000429523376 292123367 /nfs/dbraw/zinc/12/33/67/292123367.db2.gz ZSKLJMHSASSFOK-CQSZACIVSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC(F)(F)F ZINC000402627603 413173011 /nfs/dbraw/zinc/17/30/11/413173011.db2.gz XDHOLWQWGYTCEV-QNWHQSFQSA-N 2 0 278.362 2.943 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000650757542 397885369 /nfs/dbraw/zinc/88/53/69/397885369.db2.gz ZGLORJFASHZQIR-QGZVFWFLSA-N 2 0 281.403 2.968 20 0 CFADRP COC1(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000459730707 292125630 /nfs/dbraw/zinc/12/56/30/292125630.db2.gz FEKMMOZSTKVPTH-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762695 397886874 /nfs/dbraw/zinc/88/68/74/397886874.db2.gz HVKGTWWBGVZNQO-SUMWQHHRSA-N 2 0 258.409 2.899 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650761932 397886883 /nfs/dbraw/zinc/88/68/83/397886883.db2.gz NWVGHGSFWOOOTE-MRXNPFEDSA-N 2 0 292.398 2.801 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3CCC4)C[C@@H]21 ZINC000650702993 397859449 /nfs/dbraw/zinc/85/94/49/397859449.db2.gz DBMAJXMSYYKTFP-RYQLBKOJSA-N 2 0 270.420 2.735 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cccc3c2CCC3)CCC[NH2+]C1 ZINC000650703594 397859873 /nfs/dbraw/zinc/85/98/73/397859873.db2.gz HWTDHPBAMLBZRR-QGZVFWFLSA-N 2 0 258.409 2.655 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC000650705646 397860434 /nfs/dbraw/zinc/86/04/34/397860434.db2.gz PAQYIINPPLJOGL-BFYDXBDKSA-N 2 0 292.398 2.544 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705251 397860903 /nfs/dbraw/zinc/86/09/03/397860903.db2.gz AJKBZOMZHCCSSS-BZSNNMDCSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705538 397860974 /nfs/dbraw/zinc/86/09/74/397860974.db2.gz KXVOYROWSMOZDT-KSZLIROESA-N 2 0 288.435 2.713 20 0 CFADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000650709030 397861687 /nfs/dbraw/zinc/86/16/87/397861687.db2.gz ZOOUFBDKTZNTTN-RHSMWYFYSA-N 2 0 276.399 2.789 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(CC)CC ZINC000650763395 397887845 /nfs/dbraw/zinc/88/78/45/397887845.db2.gz ZBUZZXMZQRKSQQ-CVEARBPZSA-N 2 0 282.472 2.950 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2CC[NH2+]CC2)C[C@H]1OC ZINC000650763300 397887891 /nfs/dbraw/zinc/88/78/91/397887891.db2.gz XHDMROWEJYMIBY-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2CC[NH2+]CC2)C[C@@H]1OC ZINC000650763298 397887894 /nfs/dbraw/zinc/88/78/94/397887894.db2.gz XHDMROWEJYMIBY-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@H](OCC[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000650710331 397862476 /nfs/dbraw/zinc/86/24/76/397862476.db2.gz MKJKYYZSFYWVPE-DLBZAZTESA-N 2 0 276.424 2.744 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(F)cc1 ZINC000650709901 397862823 /nfs/dbraw/zinc/86/28/23/397862823.db2.gz WKJGVXJNCJGBMQ-KMFMINBZSA-N 2 0 276.399 2.990 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709837 397862909 /nfs/dbraw/zinc/86/29/09/397862909.db2.gz SKJORSSHBKMTKL-YOEHRIQHSA-N 2 0 276.399 2.949 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763301 397887912 /nfs/dbraw/zinc/88/79/12/397887912.db2.gz XHDMROWEJYMIBY-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2scnc2C2CC2)[C@@H]1CC[NH3+] ZINC000650711808 397864021 /nfs/dbraw/zinc/86/40/21/397864021.db2.gz FBNAJYZIZISMRT-WCQYABFASA-N 2 0 279.453 2.970 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000650712891 397864761 /nfs/dbraw/zinc/86/47/61/397864761.db2.gz ZWVJQWAKOIIGJF-UHFFFAOYSA-N 2 0 273.355 2.593 20 0 CFADRP Cc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1Br ZINC000650712802 397864765 /nfs/dbraw/zinc/86/47/65/397864765.db2.gz VHNKEHYTNDXKDL-UHFFFAOYSA-N 2 0 297.240 2.976 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000353279222 296567179 /nfs/dbraw/zinc/56/71/79/296567179.db2.gz QXQXSIUZHXWBER-BRWVUGGUSA-N 2 0 292.467 2.677 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000650712717 397864962 /nfs/dbraw/zinc/86/49/62/397864962.db2.gz RCQRIERNUSALGE-UHFFFAOYSA-N 2 0 265.426 2.629 20 0 CFADRP [NH3+]CC1(CC[NH2+]CCCCOc2ccccc2)CC1 ZINC000650714218 397865473 /nfs/dbraw/zinc/86/54/73/397865473.db2.gz WFXNONLMUXXTAO-UHFFFAOYSA-N 2 0 262.397 2.564 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CCC2(C[NH3+])CC2)cc1F ZINC000650713532 397865529 /nfs/dbraw/zinc/86/55/29/397865529.db2.gz VSJHGSPILCXENL-ZDUSSCGKSA-N 2 0 294.414 2.732 20 0 CFADRP CCn1cc(C[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C(C)C)cn1 ZINC000650715143 397865812 /nfs/dbraw/zinc/86/58/12/397865812.db2.gz RGSARVGUXMCUDA-HUUCEWRRSA-N 2 0 278.444 2.502 20 0 CFADRP COc1ccc2nc(C[NH2+]CCC3(C[NH3+])CC3)sc2c1 ZINC000650713754 397865942 /nfs/dbraw/zinc/86/59/42/397865942.db2.gz AKHFDPXACDOUDU-UHFFFAOYSA-N 2 0 291.420 2.524 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715203 397866464 /nfs/dbraw/zinc/86/64/64/397866464.db2.gz UGVVEKPUXDHLQV-HYVNUMGLSA-N 2 0 287.451 2.924 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000650717928 397867253 /nfs/dbraw/zinc/86/72/53/397867253.db2.gz QWVBFFMBGPBUIA-ZBFHGGJFSA-N 2 0 280.387 2.578 20 0 CFADRP Cc1ccc(CCC[NH2+]Cc2ccc(C[NH3+])cc2F)cn1 ZINC000650716728 397867631 /nfs/dbraw/zinc/86/76/31/397867631.db2.gz HWHHBNOOFMASGS-UHFFFAOYSA-N 2 0 287.382 2.710 20 0 CFADRP Cc1ccccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718192 397868223 /nfs/dbraw/zinc/86/82/23/397868223.db2.gz BGLBWRKGKZOFGG-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650763661 397888455 /nfs/dbraw/zinc/88/84/55/397888455.db2.gz GPTJQUYTEWORNS-KRWDZBQOSA-N 2 0 274.408 2.662 20 0 CFADRP CCCC[C@@H](COC)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720608 397869012 /nfs/dbraw/zinc/86/90/12/397869012.db2.gz VVIHSGVIIAXSQW-INIZCTEOSA-N 2 0 264.413 2.701 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000650721610 397870174 /nfs/dbraw/zinc/87/01/74/397870174.db2.gz SKXWPQFGNBKXPQ-UHFFFAOYSA-N 2 0 292.471 2.816 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763571 397888643 /nfs/dbraw/zinc/88/86/43/397888643.db2.gz DNZZWNLERWJJQL-INIZCTEOSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650740795 397874238 /nfs/dbraw/zinc/87/42/38/397874238.db2.gz RIHNBCRUEJJXKL-STQMWFEESA-N 2 0 264.388 2.963 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650741017 397875877 /nfs/dbraw/zinc/87/58/77/397875877.db2.gz WGSWFNOUONEMSR-GLQYFDAESA-N 2 0 290.432 2.743 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000650741039 397876091 /nfs/dbraw/zinc/87/60/91/397876091.db2.gz WOUHDRJUQPEXBV-SJORKVTESA-N 2 0 275.440 2.699 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1N(C)C ZINC000650745449 397878892 /nfs/dbraw/zinc/87/88/92/397878892.db2.gz HCTLSZHNBQNENX-CYBMUJFWSA-N 2 0 261.413 2.532 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(C)C ZINC000650745340 397879080 /nfs/dbraw/zinc/87/90/80/397879080.db2.gz DQSOFYPIGIIYBJ-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000650747475 397880113 /nfs/dbraw/zinc/88/01/13/397880113.db2.gz ARZHNKFVGYCDCC-INIZCTEOSA-N 2 0 258.409 2.653 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650753384 397882747 /nfs/dbraw/zinc/88/27/47/397882747.db2.gz MHLPCCBNSDNZET-IUODEOHRSA-N 2 0 250.361 2.953 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650753410 397883772 /nfs/dbraw/zinc/88/37/72/397883772.db2.gz MTFFAGHVTDTDJN-LSDHHAIUSA-N 2 0 280.387 2.578 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1C[C@H]1C ZINC000650756247 397884451 /nfs/dbraw/zinc/88/44/51/397884451.db2.gz XLDYQXPPYKUIND-DGFSRKRXSA-N 2 0 250.361 2.809 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000650756726 397884521 /nfs/dbraw/zinc/88/45/21/397884521.db2.gz IMLYZKKUGXMMNT-APHBMKBZSA-N 2 0 276.424 2.555 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000650756199 397884630 /nfs/dbraw/zinc/88/46/30/397884630.db2.gz WISJLAOMQQYYAO-QGZVFWFLSA-N 2 0 288.435 2.845 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000372990705 292126533 /nfs/dbraw/zinc/12/65/33/292126533.db2.gz BZJZROURFIBILL-ZNMIVQPWSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414907424 296582074 /nfs/dbraw/zinc/58/20/74/296582074.db2.gz ASQFDOYXUSDHTP-XYVMCAHJSA-N 2 0 293.499 2.617 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(OC)c1 ZINC000404283231 413194107 /nfs/dbraw/zinc/19/41/07/413194107.db2.gz QTEXMKSTSFBBRN-CJNGLKHVSA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404325003 413197412 /nfs/dbraw/zinc/19/74/12/413197412.db2.gz UJLJMYHAWJSCGU-ZBFHGGJFSA-N 2 0 276.424 2.953 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1OC ZINC000404301008 413198950 /nfs/dbraw/zinc/19/89/50/413198950.db2.gz ZKMSIOFAWKTNOG-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404410881 413201276 /nfs/dbraw/zinc/20/12/76/413201276.db2.gz XJKGSPXNHXJUNK-XJKSGUPXSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404396902 413203622 /nfs/dbraw/zinc/20/36/22/413203622.db2.gz OZGMKOBUZOFYJL-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP COC1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000129846160 292159704 /nfs/dbraw/zinc/15/97/04/292159704.db2.gz NQODOGBQMLBEMY-UHFFFAOYSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)[C@H]1CC[NH3+] ZINC000404362907 413202668 /nfs/dbraw/zinc/20/26/68/413202668.db2.gz GDHCOMZBSKDKNN-PBHICJAKSA-N 2 0 288.435 2.613 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000404436645 413205241 /nfs/dbraw/zinc/20/52/41/413205241.db2.gz RSYGOYZKKZNNAS-NVXWUHKLSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)=CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000660276030 413213482 /nfs/dbraw/zinc/21/34/82/413213482.db2.gz KTIFPPBGKMQPIC-UHFFFAOYSA-N 2 0 293.499 2.692 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000425399611 286000131 /nfs/dbraw/zinc/00/01/31/286000131.db2.gz PGVSXOKOXODQNS-SJLPKXTDSA-N 2 0 294.483 2.855 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465312 413221730 /nfs/dbraw/zinc/22/17/30/413221730.db2.gz JIAIMYMXJJXGCV-UKRRQHHQSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423489368 286023116 /nfs/dbraw/zinc/02/31/16/286023116.db2.gz WHEMXFWWCBVCPY-PVAVHDDUSA-N 2 0 276.424 2.884 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423473100 286024446 /nfs/dbraw/zinc/02/44/46/286024446.db2.gz NQKBPRCJPFCTHA-OTRWWLKZSA-N 2 0 276.424 2.870 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466313 413223011 /nfs/dbraw/zinc/22/30/11/413223011.db2.gz QYIFMAVVHTZXFH-NXOAAHMSSA-N 2 0 262.441 2.887 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261591267 286028743 /nfs/dbraw/zinc/02/87/43/286028743.db2.gz LWYQMGJYRWKBJT-LSDHHAIUSA-N 2 0 270.461 2.950 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000422883944 286048981 /nfs/dbraw/zinc/04/89/81/286048981.db2.gz DILONZDLCZITJD-HUUCEWRRSA-N 2 0 268.445 2.690 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000090723057 286050406 /nfs/dbraw/zinc/05/04/06/286050406.db2.gz ILNWESFJDLDOEI-ZNMIVQPWSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465263 413226486 /nfs/dbraw/zinc/22/64/86/413226486.db2.gz IWWYPWNWPCYTCK-RHSMWYFYSA-N 2 0 276.424 2.922 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N)c1 ZINC000656785067 413226606 /nfs/dbraw/zinc/22/66/06/413226606.db2.gz KATHLDBLXUWKMU-CJNGLKHVSA-N 2 0 261.413 2.669 20 0 CFADRP COC1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663464973 413226682 /nfs/dbraw/zinc/22/66/82/413226682.db2.gz HQCULNVTQMVPDN-GTPINHCMSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)C2CC2)[C@@H](C)C1 ZINC000122338840 286064791 /nfs/dbraw/zinc/06/47/91/286064791.db2.gz XDCWBUPCNVHPIF-UAGQMJEPSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471106 413233617 /nfs/dbraw/zinc/23/36/17/413233617.db2.gz WPMGDMVZOMXIEZ-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CC[NH2+]1 ZINC000656790807 413233176 /nfs/dbraw/zinc/23/31/76/413233176.db2.gz BBLABDKDKMDZGZ-VQHPVUNQSA-N 2 0 280.456 2.656 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656791618 413234773 /nfs/dbraw/zinc/23/47/73/413234773.db2.gz KEZFULUQLIIVSW-IBGZPJMESA-N 2 0 293.414 2.692 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1O ZINC000656789364 413236710 /nfs/dbraw/zinc/23/67/10/413236710.db2.gz NNNZZRVJNVSSFE-ZDUSSCGKSA-N 2 0 292.423 2.583 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000656791072 413236857 /nfs/dbraw/zinc/23/68/57/413236857.db2.gz ROFGQWXDAWIGDY-LJIGWXMPSA-N 2 0 256.393 2.652 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000663498331 413242007 /nfs/dbraw/zinc/24/20/07/413242007.db2.gz ARAVEKUUWJXPOK-OAHLLOKOSA-N 2 0 272.396 2.540 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C3CCC3)C2)CC[NH2+]1 ZINC000663500340 413244320 /nfs/dbraw/zinc/24/43/20/413244320.db2.gz KHNSICYVXVZTCM-IJEWVQPXSA-N 2 0 250.430 2.887 20 0 CFADRP c1cncc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CCC2)c1 ZINC000423246812 296635775 /nfs/dbraw/zinc/63/57/75/296635775.db2.gz KGTJYANJPRVATK-CJNGLKHVSA-N 2 0 259.397 2.512 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccnc2ccccc12 ZINC000663498944 413244830 /nfs/dbraw/zinc/24/48/30/413244830.db2.gz VOEJWFKVQBNCMS-OAHLLOKOSA-N 2 0 257.381 2.698 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000152620209 286198295 /nfs/dbraw/zinc/19/82/95/286198295.db2.gz BWLZXOJLMBOKJZ-IXDOHACOSA-N 2 0 282.472 2.925 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](C)CCC[NH3+])C1CCCC1 ZINC000422833622 286200169 /nfs/dbraw/zinc/20/01/69/286200169.db2.gz ZBBPJOVSWSXPDG-ZFWWWQNUSA-N 2 0 256.434 2.689 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000663498631 413247336 /nfs/dbraw/zinc/24/73/36/413247336.db2.gz QRQBTPBMIPMIKK-GFCCVEGCSA-N 2 0 278.425 2.601 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000663502440 413250179 /nfs/dbraw/zinc/25/01/79/413250179.db2.gz JBCBBHKIKAZGMK-KBAYOESNSA-N 2 0 289.467 2.785 20 0 CFADRP CCCC[C@@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663505832 413250807 /nfs/dbraw/zinc/25/08/07/413250807.db2.gz NANIBIUKJBALCA-OAHLLOKOSA-N 2 0 297.487 2.535 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422968647 413253437 /nfs/dbraw/zinc/25/34/37/413253437.db2.gz RRSTZGIDOHTFSC-LVQVYYBASA-N 2 0 260.381 2.678 20 0 CFADRP COCC1(C[NH2+][C@H](C)Cc2ccccc2C)CC[NH2+]CC1 ZINC000414974666 292249173 /nfs/dbraw/zinc/24/91/73/292249173.db2.gz MMPUBIKTKFKUII-MRXNPFEDSA-N 2 0 290.451 2.532 20 0 CFADRP C[NH2+]C[C@H](C)N[C@@H](C)CCc1ccc(Cl)s1 ZINC000663514855 413256856 /nfs/dbraw/zinc/25/68/56/413256856.db2.gz UXQCRDQJQYFUMC-UWVGGRQHSA-N 2 0 260.834 2.920 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCCC2 ZINC000085681070 286277321 /nfs/dbraw/zinc/27/73/21/286277321.db2.gz JJHKSQUXLYHCPB-NEXFUWMNSA-N 2 0 266.429 2.584 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C12CCCC2 ZINC000423472527 286281380 /nfs/dbraw/zinc/28/13/80/286281380.db2.gz FZPKOXVDGFLSQZ-BZUAXINKSA-N 2 0 280.456 2.846 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C12CCCC2 ZINC000450974526 286282649 /nfs/dbraw/zinc/28/26/49/286282649.db2.gz VXYJMKQKQBHDOV-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(CC)CC ZINC000423427081 286290442 /nfs/dbraw/zinc/29/04/42/286290442.db2.gz FRHYUSAJFRMINT-YLFCFFPRSA-N 2 0 294.483 2.948 20 0 CFADRP C[NH2+]C[C@H](C)N[C@H](C)Cc1ccccc1SC ZINC000663514126 413259020 /nfs/dbraw/zinc/25/90/20/413259020.db2.gz NJFNELXCCFPKDH-NEPJUHHUSA-N 2 0 252.427 2.537 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359210968 286332114 /nfs/dbraw/zinc/33/21/14/286332114.db2.gz FAGDKEZCDDOBEJ-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000653279873 413272202 /nfs/dbraw/zinc/27/22/02/413272202.db2.gz HLGOCSXJLZCVEA-BLLLJJGKSA-N 2 0 255.365 2.546 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000356839613 155389604 /nfs/dbraw/zinc/38/96/04/155389604.db2.gz IZJDEDKRFLSIGZ-ZYHUDNBSSA-N 2 0 286.341 2.719 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356856586 155397083 /nfs/dbraw/zinc/39/70/83/155397083.db2.gz WCPRZRBAQVGRGS-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCCc4cccnc43)ccc12 ZINC000656980586 413284449 /nfs/dbraw/zinc/28/44/49/413284449.db2.gz BUJKZIGHLCABAJ-INIZCTEOSA-N 2 0 278.359 2.897 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C1(CC)CC ZINC000422837823 286395307 /nfs/dbraw/zinc/39/53/07/286395307.db2.gz MYPHHZBNDXTNRA-ZOBORPQBSA-N 2 0 256.434 2.686 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCCOC(C)(C)C)CC1 ZINC000429544769 289373348 /nfs/dbraw/zinc/37/33/48/289373348.db2.gz ACZULQPNJJQSDM-HNNXBMFYSA-N 2 0 270.461 2.998 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356875532 155406341 /nfs/dbraw/zinc/40/63/41/155406341.db2.gz QZDWIRJRCQCDPC-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc2cc(C[NH2+][C@@H]3CN(C)C[C@H]3C)ccc2c1 ZINC000343070388 154104639 /nfs/dbraw/zinc/10/46/39/154104639.db2.gz IDBVERCVRBVJSH-FZKQIMNGSA-N 2 0 284.403 2.888 20 0 CFADRP Cn1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000343195621 154138065 /nfs/dbraw/zinc/13/80/65/154138065.db2.gz QAWFTMHQESCEFC-UHFFFAOYSA-N 2 0 275.440 2.769 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CCCCN2CC(C)C)CC1 ZINC000348094953 154317304 /nfs/dbraw/zinc/31/73/04/154317304.db2.gz IPOGPOUILYWOEL-CQSZACIVSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000348110934 154324660 /nfs/dbraw/zinc/32/46/60/154324660.db2.gz GILRNHLPJKUQNR-OAHLLOKOSA-N 2 0 293.455 2.794 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000234886007 292306702 /nfs/dbraw/zinc/30/67/02/292306702.db2.gz DMCLRLIGEGKOPR-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000348273592 154390138 /nfs/dbraw/zinc/39/01/38/154390138.db2.gz ACZDBPDPZONLPY-UNQGMJICSA-N 2 0 295.377 2.535 20 0 CFADRP COCCC1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000234891194 292308589 /nfs/dbraw/zinc/30/85/89/292308589.db2.gz DMCLRLIGEGKOPR-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000355591567 155047398 /nfs/dbraw/zinc/04/73/98/155047398.db2.gz HBWDZSNOVJFQIF-UHFFFAOYSA-N 2 0 291.483 2.700 20 0 CFADRP FC(F)(F)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000355881408 155107381 /nfs/dbraw/zinc/10/73/81/155107381.db2.gz PYPXLYPJHOIVTO-UHFFFAOYSA-N 2 0 294.361 2.516 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCCCC2 ZINC000087300450 286488368 /nfs/dbraw/zinc/48/83/68/286488368.db2.gz NMBIKGXRTSCZBH-FJBKBRRZSA-N 2 0 280.456 2.974 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422766168 533676540 /nfs/dbraw/zinc/67/65/40/533676540.db2.gz QUEXDPQUPIDLLT-OWCLPIDISA-N 2 0 281.488 2.747 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359190297 156018456 /nfs/dbraw/zinc/01/84/56/156018456.db2.gz NIXNFRPNXGMZQS-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP CCOc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000359194185 156018770 /nfs/dbraw/zinc/01/87/70/156018770.db2.gz RIOGILDFZMWFET-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC[NH+](CC)[C@H](CNC1CC[NH+](CC)CC1)c1ccco1 ZINC000360156376 156036949 /nfs/dbraw/zinc/03/69/49/156036949.db2.gz PYJCHFUWTPQXBH-MRXNPFEDSA-N 2 0 293.455 2.736 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362924485 156116058 /nfs/dbraw/zinc/11/60/58/156116058.db2.gz PHBVLGFVSWJZLD-UHFFFAOYSA-N 2 0 277.387 2.984 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC ZINC000362974747 156132812 /nfs/dbraw/zinc/13/28/12/156132812.db2.gz BPPJRDFEEDOEMA-WMLDXEAASA-N 2 0 291.439 2.701 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000362977551 156134726 /nfs/dbraw/zinc/13/47/26/156134726.db2.gz RVNAOASVOFONPI-CAOSSQGBSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1Cc1ccno1 ZINC000363570636 156184242 /nfs/dbraw/zinc/18/42/42/156184242.db2.gz ZAXSAWFTVNKONR-CYBMUJFWSA-N 2 0 274.368 2.659 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(OCC2CC2)CC1 ZINC000363880552 156203530 /nfs/dbraw/zinc/20/35/30/156203530.db2.gz WBJGWDLODCDVIC-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3CCCCC[C@H]32)CC1 ZINC000367050751 156272344 /nfs/dbraw/zinc/27/23/44/156272344.db2.gz SBHGKWJUSHJUPM-ZWKOTPCHSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000367195484 156294717 /nfs/dbraw/zinc/29/47/17/156294717.db2.gz MYZFQJXDOSNJOC-ALOPSCKCSA-N 2 0 290.455 2.877 20 0 CFADRP CN(C)c1ccccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367210517 156296981 /nfs/dbraw/zinc/29/69/81/156296981.db2.gz DZYUCVITEUOYDX-SJPCQFCGSA-N 2 0 287.451 2.810 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000367327894 156316020 /nfs/dbraw/zinc/31/60/20/156316020.db2.gz VGLPDULBKQFJTR-DAYGRLMNSA-N 2 0 286.419 2.566 20 0 CFADRP COc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367472429 156339051 /nfs/dbraw/zinc/33/90/51/156339051.db2.gz LIYLUZHOPBOURU-IXDOHACOSA-N 2 0 286.419 2.611 20 0 CFADRP CC[N@H+](C)CCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367550860 156348052 /nfs/dbraw/zinc/34/80/52/156348052.db2.gz IOGDZVJMJDHDRU-CQSZACIVSA-N 2 0 264.417 2.572 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367556369 156350236 /nfs/dbraw/zinc/35/02/36/156350236.db2.gz XVCYEXHVUWTHHK-ARFHVFGLSA-N 2 0 282.472 2.638 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000367593237 156355323 /nfs/dbraw/zinc/35/53/23/156355323.db2.gz GVYHWKMSAVVYRB-ZNMIVQPWSA-N 2 0 293.480 2.710 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367612850 156361557 /nfs/dbraw/zinc/36/15/57/156361557.db2.gz BKXCHIBAKMNEEG-BZSNNMDCSA-N 2 0 287.451 2.951 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367614270 156361720 /nfs/dbraw/zinc/36/17/20/156361720.db2.gz GFXWMSXTVBJDGA-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613971 156361787 /nfs/dbraw/zinc/36/17/87/156361787.db2.gz GVEWOFHMVQILEO-KURKYZTESA-N 2 0 288.435 2.795 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000367618748 156365220 /nfs/dbraw/zinc/36/52/20/156365220.db2.gz UIVSYYNIJVUUGB-UHOFOFEASA-N 2 0 280.362 2.927 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3[C@H]4COC[C@H]43)CC2)C1 ZINC000367712569 156380369 /nfs/dbraw/zinc/38/03/69/156380369.db2.gz LHTXXHLVYCOFSR-FGTAOJJYSA-N 2 0 292.467 2.512 20 0 CFADRP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1F ZINC000657179354 413328105 /nfs/dbraw/zinc/32/81/05/413328105.db2.gz LTGWCZVFRHSPNV-ZDUSSCGKSA-N 2 0 280.387 2.656 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414933954 289457612 /nfs/dbraw/zinc/45/76/12/289457612.db2.gz XJSMGQZUQUDPBY-VWYCJHECSA-N 2 0 252.324 2.967 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1C ZINC000415000862 296737110 /nfs/dbraw/zinc/73/71/10/296737110.db2.gz BSBCBZTYBPIGBU-DMVVEVTLSA-N 2 0 250.430 2.789 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(c3nccc4c(N)cccc43)CC[C@H]21 ZINC000663721392 413340907 /nfs/dbraw/zinc/34/09/07/413340907.db2.gz MATYVTTURWKMNC-CXAGYDPISA-N 2 0 296.418 2.738 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000373832072 157036349 /nfs/dbraw/zinc/03/63/49/157036349.db2.gz MGCSYYBRLRJNID-QGZVFWFLSA-N 2 0 296.418 2.531 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000374167154 157078518 /nfs/dbraw/zinc/07/85/18/157078518.db2.gz ZWFCFEMWPXPJQR-GVDBMIGSSA-N 2 0 282.472 2.590 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+]([C@H]2CCOC2)CC1 ZINC000374256612 157089632 /nfs/dbraw/zinc/08/96/32/157089632.db2.gz ACFXXDZMDQDGRX-ROUUACIJSA-N 2 0 288.435 2.762 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1cccnc1)CC2)C1CC1 ZINC000374309096 157097811 /nfs/dbraw/zinc/09/78/11/157097811.db2.gz IDXIIQZSFOBBED-INIZCTEOSA-N 2 0 285.435 2.778 20 0 CFADRP C(CN1CCO[C@@H](C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000375246622 157211923 /nfs/dbraw/zinc/21/19/23/157211923.db2.gz WXGYMVCKZWNLOU-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1c[nH+]ccc1NC1CC[NH+](Cc2ccsc2)CC1 ZINC000375657772 157265939 /nfs/dbraw/zinc/26/59/39/157265939.db2.gz YIVZYOQWNMBRLW-UHFFFAOYSA-N 2 0 287.432 2.950 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000375895093 157302186 /nfs/dbraw/zinc/30/21/86/157302186.db2.gz JIBOCDZNWUDZHO-ULQDDVLXSA-N 2 0 280.456 2.798 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)C1CC1 ZINC000376085056 157322402 /nfs/dbraw/zinc/32/24/02/157322402.db2.gz UUCUKEJDAPRTGI-GJZGRUSLSA-N 2 0 290.455 2.520 20 0 CFADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376204339 157333948 /nfs/dbraw/zinc/33/39/48/157333948.db2.gz ZKNAOOBODVDGCZ-WMZOPIPTSA-N 2 0 293.499 2.525 20 0 CFADRP Cc1nccn1CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376510817 157367032 /nfs/dbraw/zinc/36/70/32/157367032.db2.gz HLQAYBAZNJUGJN-BBRMVZONSA-N 2 0 270.380 2.670 20 0 CFADRP CN1CCC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000651198379 413347694 /nfs/dbraw/zinc/34/76/94/413347694.db2.gz GNONPTDTXQGKJP-QGZVFWFLSA-N 2 0 258.409 2.618 20 0 CFADRP CSC1(C[NH2+]CCC[NH+]2CCC(C)CC2)CCC1 ZINC000305951076 286656772 /nfs/dbraw/zinc/65/67/72/286656772.db2.gz ADZXCNNFOAKKBY-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401068146 286661949 /nfs/dbraw/zinc/66/19/49/286661949.db2.gz JFZJJCNSHILXBO-BEBHXBEKSA-N 2 0 282.497 2.886 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]C1CCC([NH3+])CC1 ZINC000163410314 298383428 /nfs/dbraw/zinc/38/34/28/298383428.db2.gz GMCJGURGYWGDND-KPPDAEKUSA-N 2 0 252.324 2.967 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000422991189 298391925 /nfs/dbraw/zinc/39/19/25/298391925.db2.gz OPKZBOMACUAAKF-PVAVHDDUSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657311333 413431529 /nfs/dbraw/zinc/43/15/29/413431529.db2.gz JXIQABHFFFWTEK-HNNXBMFYSA-N 2 0 290.455 2.574 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422783146 533677748 /nfs/dbraw/zinc/67/77/48/533677748.db2.gz HCTFMHHOYZHDAE-XOKHGSTOSA-N 2 0 292.423 2.712 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660615290 413433389 /nfs/dbraw/zinc/43/33/89/413433389.db2.gz FFXJCTSYOUAIFP-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CN(C)C[C@H]2C)ccc1Br ZINC000344671402 162094931 /nfs/dbraw/zinc/09/49/31/162094931.db2.gz KXPQIBJPQKPSQK-BXUZGUMPSA-N 2 0 297.240 2.797 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000344741216 162112531 /nfs/dbraw/zinc/11/25/31/162112531.db2.gz HZWRFDNISZBIJY-HNNXBMFYSA-N 2 0 270.461 2.636 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000344844539 162132569 /nfs/dbraw/zinc/13/25/69/162132569.db2.gz RVPXSEQMFQJCOM-SJORKVTESA-N 2 0 280.456 2.823 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000345180564 162195047 /nfs/dbraw/zinc/19/50/47/162195047.db2.gz YRCMLEPSBYXFDM-UHFFFAOYSA-N 2 0 285.366 2.725 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000345867855 162266762 /nfs/dbraw/zinc/26/67/62/162266762.db2.gz VPOUDBQBXZCJRG-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP [NH3+][C@@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000346086823 162315563 /nfs/dbraw/zinc/31/55/63/162315563.db2.gz UVBVJSURJHSAGC-GFCCVEGCSA-N 2 0 288.313 2.551 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000346317648 162380962 /nfs/dbraw/zinc/38/09/62/162380962.db2.gz JKTXHHLXLMXKPZ-SNVBAGLBSA-N 2 0 250.308 2.569 20 0 CFADRP [NH3+]CCCN(c1ccccc1F)[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346358577 162392941 /nfs/dbraw/zinc/39/29/41/162392941.db2.gz GVYFMFAQOPCFLU-CABCVRRESA-N 2 0 291.414 2.608 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCO1 ZINC000346498834 162430191 /nfs/dbraw/zinc/43/01/91/162430191.db2.gz SVCAZKIYCPAPRK-QAPCUYQASA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)Cc1ncc(C[NH+]2CCC([C@H](C)[NH3+])CC2)s1 ZINC000347061109 162592866 /nfs/dbraw/zinc/59/28/66/162592866.db2.gz YMDCSLZZPVMENU-LBPRGKRZSA-N 2 0 281.469 2.901 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000349661108 162999964 /nfs/dbraw/zinc/99/99/64/162999964.db2.gz DYGZMKIUJTYYRS-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000349668399 163001210 /nfs/dbraw/zinc/00/12/10/163001210.db2.gz QXDGNGSMLPHSHW-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000349664506 163001264 /nfs/dbraw/zinc/00/12/64/163001264.db2.gz MATDYFNLMUCNKH-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000349722293 163008364 /nfs/dbraw/zinc/00/83/64/163008364.db2.gz NVKCTUZTBZEKJM-JCCCHCCOSA-N 2 0 280.456 2.798 20 0 CFADRP CCOc1cccc(CN(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000349798848 163018261 /nfs/dbraw/zinc/01/82/61/163018261.db2.gz HSNPQADKZSUFRH-UHFFFAOYSA-N 2 0 291.439 2.785 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000349839449 163024035 /nfs/dbraw/zinc/02/40/35/163024035.db2.gz ZSGNIEWACWSLKA-KWCYVHTRSA-N 2 0 279.453 2.771 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000349960072 163043802 /nfs/dbraw/zinc/04/38/02/163043802.db2.gz AEBGGVVVOUQIEQ-OAHLLOKOSA-N 2 0 282.472 2.713 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350213745 163065967 /nfs/dbraw/zinc/06/59/67/163065967.db2.gz BSDXLGFLXAAUMB-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP Cc1ccsc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350221653 163068402 /nfs/dbraw/zinc/06/84/02/163068402.db2.gz OSSTYPZPVZPDRT-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351502074 163135201 /nfs/dbraw/zinc/13/52/01/163135201.db2.gz ZELBBEFPYDTYMY-ULQDDVLXSA-N 2 0 258.409 2.597 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3cccc4ccccc43)C[C@H]12 ZINC000351502003 163135638 /nfs/dbraw/zinc/13/56/38/163135638.db2.gz YQLLHUUQEKKGQR-RYQLBKOJSA-N 2 0 296.414 2.888 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000351637723 163164179 /nfs/dbraw/zinc/16/41/79/163164179.db2.gz VMZDVDDBZIDKFT-INIZCTEOSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@H](F)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000351730667 163184830 /nfs/dbraw/zinc/18/48/30/163184830.db2.gz QBEYDWPZHCHSCF-HNNXBMFYSA-N 2 0 286.435 2.559 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CC1(C)COC1 ZINC000352770201 163230863 /nfs/dbraw/zinc/23/08/63/163230863.db2.gz JWOWXFKRZWFTFQ-UHFFFAOYSA-N 2 0 276.424 2.653 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)o1 ZINC000352809345 163239465 /nfs/dbraw/zinc/23/94/65/163239465.db2.gz HGEVWMUGHUEGRW-DCGLDWPTSA-N 2 0 276.424 2.981 20 0 CFADRP COC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352835658 163246753 /nfs/dbraw/zinc/24/67/53/163246753.db2.gz ZDIZHNUFBFODPG-AEFFLSMTSA-N 2 0 288.435 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)C2CCCCC2)C[C@H]1C ZINC000352858616 163253491 /nfs/dbraw/zinc/25/34/91/163253491.db2.gz NYRPTBMTSLYVFD-PVAVHDDUSA-N 2 0 282.472 2.732 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000353035965 163292005 /nfs/dbraw/zinc/29/20/05/163292005.db2.gz PYIIHOQTPMZSBN-WFASDCNBSA-N 2 0 264.438 2.589 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(C)s2)CC[NH+](C)CC1 ZINC000353208232 163316830 /nfs/dbraw/zinc/31/68/30/163316830.db2.gz IZTLOXXIZJANDF-UHFFFAOYSA-N 2 0 284.494 2.974 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353405674 163358630 /nfs/dbraw/zinc/35/86/30/163358630.db2.gz PMZCFBUJKRRPLN-FGTMMUONSA-N 2 0 288.435 2.918 20 0 CFADRP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000353494100 163378725 /nfs/dbraw/zinc/37/87/25/163378725.db2.gz YORANPIVUSVVTF-KSZLIROESA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC(O)CC2)C1 ZINC000353504165 163380113 /nfs/dbraw/zinc/38/01/13/163380113.db2.gz QMKYLSYDHOJKIJ-WXLSXGNJSA-N 2 0 282.472 2.636 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)Cc1conc1CC ZINC000353513863 163383139 /nfs/dbraw/zinc/38/31/39/163383139.db2.gz FQNPTRCLLOQLOI-UHFFFAOYSA-N 2 0 290.411 2.908 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000353521336 163383791 /nfs/dbraw/zinc/38/37/91/163383791.db2.gz RDMSOAGFJRSRQA-UYSNPLJNSA-N 2 0 261.413 2.995 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353537138 163388733 /nfs/dbraw/zinc/38/87/33/163388733.db2.gz ZNMOQIFOFUVYHE-BRSBDYLESA-N 2 0 293.499 2.713 20 0 CFADRP Cc1ccc(C(C)(C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000353568524 163397358 /nfs/dbraw/zinc/39/73/58/163397358.db2.gz JVFBQWLXRONEIJ-HNNXBMFYSA-N 2 0 261.413 2.699 20 0 CFADRP CSC1(C[NH2+]C2CCC([NH+](C)C)CC2)CCC1 ZINC000353602357 163403489 /nfs/dbraw/zinc/40/34/89/163403489.db2.gz DKZGIHXEWLCSGK-UHFFFAOYSA-N 2 0 256.459 2.735 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000353635602 163414100 /nfs/dbraw/zinc/41/41/00/163414100.db2.gz ZYXCVEIOZBNVDY-ADKAHSJRSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@@H]1CCCO1 ZINC000336813702 287023420 /nfs/dbraw/zinc/02/34/20/287023420.db2.gz VGLZHQWLOUBQPY-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@]1(C)CCCO1 ZINC000340474828 287023817 /nfs/dbraw/zinc/02/38/17/287023817.db2.gz NTMFCYHQOASTSO-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423203367 287033507 /nfs/dbraw/zinc/03/35/07/287033507.db2.gz CIZLQGFMOSYUHH-CHWSQXEVSA-N 2 0 279.403 2.542 20 0 CFADRP CC[C@@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@@H]2CC)COC1 ZINC000360004415 287057283 /nfs/dbraw/zinc/05/72/83/287057283.db2.gz OLTCRPAGHAXWJE-IYBDPMFKSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1[nH]nc2ncc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cc12 ZINC000414807295 533678601 /nfs/dbraw/zinc/67/86/01/533678601.db2.gz IXYYBPLHRIDNAF-LLVKDONJSA-N 2 0 295.390 2.576 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000284227412 196008738 /nfs/dbraw/zinc/00/87/38/196008738.db2.gz HNQCAZHKLSTHTA-KBRIMQKVSA-N 2 0 276.424 2.729 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1OC ZINC000020129128 171017546 /nfs/dbraw/zinc/01/75/46/171017546.db2.gz IKMLAYJDBYBBEE-AWEZNQCLSA-N 2 0 292.423 2.840 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000020200601 171064764 /nfs/dbraw/zinc/06/47/64/171064764.db2.gz IQAKAGCCWLRJNN-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020524014 171236672 /nfs/dbraw/zinc/23/66/72/171236672.db2.gz FJTRRAUFYAEVOB-AVOUXACISA-N 2 0 262.397 2.816 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000657345021 413476162 /nfs/dbraw/zinc/47/61/62/413476162.db2.gz HIPJHZJPEKMRNL-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657345931 413477792 /nfs/dbraw/zinc/47/77/92/413477792.db2.gz AUUIPEYBHPNTFM-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)C[C@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660671053 413488537 /nfs/dbraw/zinc/48/85/37/413488537.db2.gz LIXBPRSVMPGTAQ-HOTGVXAUSA-N 2 0 270.461 2.588 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1F)C2 ZINC000660659436 413479118 /nfs/dbraw/zinc/47/91/18/413479118.db2.gz PLFDKNKOVBVLNP-MRXNPFEDSA-N 2 0 280.362 2.883 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000660661099 413481181 /nfs/dbraw/zinc/48/11/81/413481181.db2.gz BRRQDOHSPDFAJI-KURKYZTESA-N 2 0 270.420 2.960 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657350012 413483644 /nfs/dbraw/zinc/48/36/44/413483644.db2.gz XNJYPRKHLGWWKM-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP c1cc2c(cc[nH+]c2NC2CC[NH+](C3CCC3)CC2)[nH]1 ZINC000663981703 413487026 /nfs/dbraw/zinc/48/70/26/413487026.db2.gz BTUZGTLYXHOLAS-UHFFFAOYSA-N 2 0 270.380 2.992 20 0 CFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2nc(C)c[nH]2)C1 ZINC000657357676 413490230 /nfs/dbraw/zinc/49/02/30/413490230.db2.gz OYVHCODEFNAITO-AWEZNQCLSA-N 2 0 278.444 2.708 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CO1 ZINC000657363503 413500743 /nfs/dbraw/zinc/50/07/43/413500743.db2.gz POCDIVLWVYVPQW-CABCVRRESA-N 2 0 280.387 2.544 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000651492001 413505699 /nfs/dbraw/zinc/50/56/99/413505699.db2.gz LNZJEQUZWNPOPG-INIZCTEOSA-N 2 0 287.451 2.729 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000657386561 413538795 /nfs/dbraw/zinc/53/87/95/413538795.db2.gz ILTPZFKRRXLAJV-HOCLYGCPSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651667926 413550945 /nfs/dbraw/zinc/55/09/45/413550945.db2.gz XNRPXQDMKHYJHK-UHFFFAOYSA-N 2 0 258.409 2.749 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422884990 287267200 /nfs/dbraw/zinc/26/72/00/287267200.db2.gz SWUJWRFIYSYFPY-IKGGRYGDSA-N 3 0 281.488 2.891 20 0 CFADRP c1ccc2c(c1)CC([NH2+]CCC[NH+]1CCCCC1)C2 ZINC000035658015 172333060 /nfs/dbraw/zinc/33/30/60/172333060.db2.gz LMEYSUVYJVPPAT-UHFFFAOYSA-N 2 0 258.409 2.619 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651705337 413583084 /nfs/dbraw/zinc/58/30/84/413583084.db2.gz PHPAXSNUBAMSBI-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC3=CC[N@H+](C)CC3)[nH]c2c1 ZINC000657426667 413589331 /nfs/dbraw/zinc/58/93/31/413589331.db2.gz CGJOBXGSDVICBX-UHFFFAOYSA-N 2 0 269.392 2.828 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651732338 413597389 /nfs/dbraw/zinc/59/73/89/413597389.db2.gz RROICFIQPKFNBW-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP CC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657453403 413626485 /nfs/dbraw/zinc/62/64/85/413626485.db2.gz WWGSKDHBCVQXNS-UHFFFAOYSA-N 2 0 256.353 2.547 20 0 CFADRP C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657456145 413630118 /nfs/dbraw/zinc/63/01/18/413630118.db2.gz PCMXCGNUKSAJFN-KGLIPLIRSA-N 2 0 270.380 2.793 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657458192 413633935 /nfs/dbraw/zinc/63/39/35/413633935.db2.gz XHBLAXGJMQZNQG-ZIAGYGMSSA-N 2 0 270.380 2.793 20 0 CFADRP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794153 413645797 /nfs/dbraw/zinc/64/57/97/413645797.db2.gz GGKABKRTZTWPNE-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](C[NH2+]Cc1cc2ccncc2s1)C[NH+](C)C ZINC000657471918 413652121 /nfs/dbraw/zinc/65/21/21/413652121.db2.gz JTDUTIZKMGNIDK-NSHDSACASA-N 2 0 263.410 2.584 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651829721 413672733 /nfs/dbraw/zinc/67/27/33/413672733.db2.gz KGDMFTANXHBIHJ-HNNXBMFYSA-N 2 0 272.436 2.997 20 0 CFADRP COCCC1(C[NH2+]Cc2cnc3n2CCC3)CCCCC1 ZINC000657439412 413607171 /nfs/dbraw/zinc/60/71/71/413607171.db2.gz FJATVGMUXWQCRX-UHFFFAOYSA-N 2 0 291.439 2.906 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651757729 413618423 /nfs/dbraw/zinc/61/84/23/413618423.db2.gz AXBVNPOTRKLVPZ-UHFFFAOYSA-N 2 0 273.380 2.649 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCC[C@H]1C ZINC000651765301 413622083 /nfs/dbraw/zinc/62/20/83/413622083.db2.gz LIUZBAZHBWKALG-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP COCc1csc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000657450252 413623074 /nfs/dbraw/zinc/62/30/74/413623074.db2.gz OXLXCNHDJOZWGN-UHFFFAOYSA-N 2 0 294.464 2.859 20 0 CFADRP CC(C)C[N@H+](C)CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000651865930 413686948 /nfs/dbraw/zinc/68/69/48/413686948.db2.gz NFFGSFGUDGUXRF-UHFFFAOYSA-N 2 0 283.504 2.817 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)n1 ZINC000651865625 413687526 /nfs/dbraw/zinc/68/75/26/413687526.db2.gz BAMSKWUGZLEAHV-OAHLLOKOSA-N 2 0 293.455 2.589 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000651865983 413688614 /nfs/dbraw/zinc/68/86/14/413688614.db2.gz PIWTXVHNTYUMJJ-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CCOCC1)C1CCCCC1 ZINC000651910517 413709583 /nfs/dbraw/zinc/70/95/83/413709583.db2.gz WRYFJRRRTVRIRO-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000657549367 413730623 /nfs/dbraw/zinc/73/06/23/413730623.db2.gz CLGQNENBRAJDNL-NVXWUHKLSA-N 2 0 274.408 2.659 20 0 CFADRP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CCC1 ZINC000657558185 413738882 /nfs/dbraw/zinc/73/88/82/413738882.db2.gz BCPAMGNZBGLROI-KRWDZBQOSA-N 2 0 280.456 2.534 20 0 CFADRP CCC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597664 413778833 /nfs/dbraw/zinc/77/88/33/413778833.db2.gz WGKOKYLCRSHTNE-MAUKXSAKSA-N 2 0 290.451 2.779 20 0 CFADRP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000657706919 413877494 /nfs/dbraw/zinc/87/74/94/413877494.db2.gz FPGXFKSEDZNENV-SJORKVTESA-N 2 0 292.467 2.677 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150501 413831855 /nfs/dbraw/zinc/83/18/55/413831855.db2.gz YJTONOXWAHDLNE-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](O)[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000652230521 413839493 /nfs/dbraw/zinc/83/94/93/413839493.db2.gz NNFLRZYBJVMEBS-GDZNZVCISA-N 2 0 294.414 2.568 20 0 CFADRP CC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CC1 ZINC000657679795 413850187 /nfs/dbraw/zinc/85/01/87/413850187.db2.gz FNJNVQXYXFWAQR-INIZCTEOSA-N 2 0 270.380 2.854 20 0 CFADRP Fc1ccc2c(c1)C[C@@H]1[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[C@H]21 ZINC000657790341 413933575 /nfs/dbraw/zinc/93/35/75/413933575.db2.gz XBWXFQWTURYCEF-YGTYDBBMSA-N 2 0 286.394 2.680 20 0 CFADRP COC[C@@H]1CCCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652341377 413896838 /nfs/dbraw/zinc/89/68/38/413896838.db2.gz KROPKQKLNPSEOE-MRXNPFEDSA-N 2 0 288.435 2.581 20 0 CFADRP c1ccc2c(c1)CCC1(CC[NH+](C[C@@H]3CC[NH2+]C3)CC1)C2 ZINC000652344467 413900090 /nfs/dbraw/zinc/90/00/90/413900090.db2.gz JFJXZWRSDYGMIB-MRXNPFEDSA-N 2 0 284.447 2.867 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCC3CCCC3)C2)C1 ZINC000652348276 413901417 /nfs/dbraw/zinc/90/14/17/413901417.db2.gz ZTIFNBWSUKGMQF-ZACQAIPSSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000652350180 413902234 /nfs/dbraw/zinc/90/22/34/413902234.db2.gz JUMHPCBXJAPRAE-YOEHRIQHSA-N 2 0 276.399 2.789 20 0 CFADRP CCO[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000652356724 413905007 /nfs/dbraw/zinc/90/50/07/413905007.db2.gz BYZIEIBBAAIUAC-RTBURBONSA-N 2 0 298.430 2.678 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2ccco2)CC1 ZINC000036993515 172855105 /nfs/dbraw/zinc/85/51/05/172855105.db2.gz GWMDGCAMLXINOD-CYBMUJFWSA-N 2 0 250.386 2.673 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000652358491 413907584 /nfs/dbraw/zinc/90/75/84/413907584.db2.gz KKZNIFAPPBJDLR-OAHLLOKOSA-N 2 0 264.388 2.832 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@@H]3CCCSCC3)CC2)C1 ZINC000657857752 414010810 /nfs/dbraw/zinc/01/08/10/414010810.db2.gz WEMBWYQJWAFDSU-CYBMUJFWSA-N 2 0 268.470 2.879 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657869404 414015378 /nfs/dbraw/zinc/01/53/78/414015378.db2.gz VWDULKBKVJTINQ-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657869830 414017120 /nfs/dbraw/zinc/01/71/20/414017120.db2.gz AGPCHJXVTXBPLK-LLVKDONJSA-N 2 0 262.388 2.988 20 0 CFADRP c1ccc2c(c1)n[nH]c2C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812845 413960995 /nfs/dbraw/zinc/96/09/95/413960995.db2.gz HFMWJRZPHHOPMV-UHFFFAOYSA-N 2 0 298.434 2.775 20 0 CFADRP COC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000657813594 413961828 /nfs/dbraw/zinc/96/18/28/413961828.db2.gz TTXACEULBXTFEB-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657817189 413965915 /nfs/dbraw/zinc/96/59/15/413965915.db2.gz QABRBTZWRDZTEN-HZSPNIEDSA-N 2 0 252.446 2.989 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657817190 413966268 /nfs/dbraw/zinc/96/62/68/413966268.db2.gz QABRBTZWRDZTEN-RDBSUJKOSA-N 2 0 252.446 2.989 20 0 CFADRP C(C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657825057 413978776 /nfs/dbraw/zinc/97/87/76/413978776.db2.gz VQAMIHXOLOEUIY-AWEZNQCLSA-N 2 0 256.459 2.738 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657835975 413987884 /nfs/dbraw/zinc/98/78/84/413987884.db2.gz ZZYZZLIOZRZHAN-CQSZACIVSA-N 2 0 270.486 2.982 20 0 CFADRP C(CC[NH2+][C@H]1COC2(CCC2)C1)CC[NH+]1CCCCC1 ZINC000657880992 414024127 /nfs/dbraw/zinc/02/41/27/414024127.db2.gz UOKKIGYSHIHJPV-MRXNPFEDSA-N 2 0 280.456 2.944 20 0 CFADRP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000285641333 196352063 /nfs/dbraw/zinc/35/20/63/196352063.db2.gz RSLPBDGCURUZOZ-SFHVURJKSA-N 2 0 270.420 2.994 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CO2 ZINC000657901495 414038352 /nfs/dbraw/zinc/03/83/52/414038352.db2.gz UKEFJNDGSQVFHO-OAHLLOKOSA-N 2 0 278.440 2.695 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657903888 414041725 /nfs/dbraw/zinc/04/17/25/414041725.db2.gz YXNNSKLUUPNYIT-WCVJEAGWSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408309 173184825 /nfs/dbraw/zinc/18/48/25/173184825.db2.gz BWUVKCWPGIGJSD-GFCCVEGCSA-N 2 0 250.411 2.630 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)c2ccccn2)CC1 ZINC000658061713 414143662 /nfs/dbraw/zinc/14/36/62/414143662.db2.gz KILDXRCJXKNPOF-AWEZNQCLSA-N 2 0 261.413 2.649 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000658062683 414144163 /nfs/dbraw/zinc/14/41/63/414144163.db2.gz PHNFFGVYZIFOMO-YCPHGPKFSA-N 2 0 261.413 2.505 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069731 414152164 /nfs/dbraw/zinc/15/21/64/414152164.db2.gz QVAJBQMOANRVSG-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCOCC[NH+](C)C ZINC000657985828 414090029 /nfs/dbraw/zinc/09/00/29/414090029.db2.gz ANKITAHOJHYRHC-MRXNPFEDSA-N 2 0 298.858 2.829 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C(F)F ZINC000657992174 414094336 /nfs/dbraw/zinc/09/43/36/414094336.db2.gz CTKWISJJMDSOPH-QWHCGFSZSA-N 2 0 292.414 2.757 20 0 CFADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H](C)C1CCCCC1 ZINC000665277422 414239328 /nfs/dbraw/zinc/23/93/28/414239328.db2.gz BDMLIYXDXQEHCP-NOZYUVCASA-N 2 0 250.430 2.933 20 0 CFADRP c1cc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)co1 ZINC000665263478 414220489 /nfs/dbraw/zinc/22/04/89/414220489.db2.gz MWDAIPWAAFXBKX-SJLPKXTDSA-N 2 0 298.386 2.668 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)O1 ZINC000665265324 414221160 /nfs/dbraw/zinc/22/11/60/414221160.db2.gz VIAMVESWSUBJHP-WRQOLXDDSA-N 2 0 280.456 2.844 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000665263929 414222053 /nfs/dbraw/zinc/22/20/53/414222053.db2.gz YHTQDPQYRICBPW-GXTWGEPZSA-N 2 0 268.426 2.502 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265046 414222453 /nfs/dbraw/zinc/22/24/53/414222453.db2.gz OHMAOAWMMDRDEB-CQSZACIVSA-N 2 0 273.424 2.828 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)c2ccccc21 ZINC000665267597 414226801 /nfs/dbraw/zinc/22/68/01/414226801.db2.gz ZIROCXFTOMNENI-IAOVAPTHSA-N 2 0 298.361 2.864 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267395 414227273 /nfs/dbraw/zinc/22/72/73/414227273.db2.gz VVYKKILVIBPPAX-USXIJHARSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267392 414227573 /nfs/dbraw/zinc/22/75/73/414227573.db2.gz VVYKKILVIBPPAX-DJIMGWMZSA-N 2 0 279.472 2.643 20 0 CFADRP C1=C(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000665273949 414230869 /nfs/dbraw/zinc/23/08/69/414230869.db2.gz GVAMAGBHVGHTLL-SJLPKXTDSA-N 2 0 284.403 2.942 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)C ZINC000658143579 414233208 /nfs/dbraw/zinc/23/32/08/414233208.db2.gz IAQANYYJKVMNDZ-QZTJIDSGSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1nsc2ccccc12 ZINC000665275210 414234302 /nfs/dbraw/zinc/23/43/02/414234302.db2.gz FFWCKJPTECQBIE-LBPRGKRZSA-N 2 0 277.437 2.946 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000658092624 414189990 /nfs/dbraw/zinc/18/99/90/414189990.db2.gz QVSFDADSLKCVDQ-OAHLLOKOSA-N 2 0 281.488 2.712 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665234913 414192907 /nfs/dbraw/zinc/19/29/07/414192907.db2.gz MGSMCKPDNYOMLQ-APHBMKBZSA-N 2 0 264.388 2.877 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665236770 414194852 /nfs/dbraw/zinc/19/48/52/414194852.db2.gz TYTXGZQKWHIBFH-SWLSCSKDSA-N 2 0 291.439 2.705 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)C1 ZINC000665238908 414197102 /nfs/dbraw/zinc/19/71/02/414197102.db2.gz HIQGICQINRARMH-WZRBSPASSA-N 2 0 294.361 2.736 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239099 414198359 /nfs/dbraw/zinc/19/83/59/414198359.db2.gz LZTZRCLSWDAFLJ-JGFGOLAASA-N 2 0 282.472 2.791 20 0 CFADRP C[C@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)C1 ZINC000665239016 414198765 /nfs/dbraw/zinc/19/87/65/414198765.db2.gz KFDCEKUAGFGUEN-PCUAHHGDSA-N 2 0 250.430 2.931 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000665246062 414207027 /nfs/dbraw/zinc/20/70/27/414207027.db2.gz YAHQOLOZQOYYBX-YESZJQIVSA-N 2 0 258.409 2.781 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106277 414208200 /nfs/dbraw/zinc/20/82/00/414208200.db2.gz AKWSAUVUXPGFJK-IRXDYDNUSA-N 2 0 291.483 2.918 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000665280726 414242279 /nfs/dbraw/zinc/24/22/79/414242279.db2.gz JTTGHRFBDBVCNI-HUUCEWRRSA-N 2 0 268.351 2.915 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281488 414243363 /nfs/dbraw/zinc/24/33/63/414243363.db2.gz DWTHUMJFUNHAGD-MLGOLLRUSA-N 2 0 277.412 2.669 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000665281104 414244511 /nfs/dbraw/zinc/24/45/11/414244511.db2.gz USIWFDHCHAMYJK-BLLLJJGKSA-N 2 0 262.397 2.741 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282143 414249203 /nfs/dbraw/zinc/24/92/03/414249203.db2.gz RMICYQOXIBUXLO-KGLIPLIRSA-N 2 0 280.387 2.785 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000665283636 414253063 /nfs/dbraw/zinc/25/30/63/414253063.db2.gz RMAJTYWQCJZZBS-BZZMCLGOSA-N 2 0 294.483 2.950 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@H]1CCc2cc(Br)ccc2C1 ZINC000665294218 414265673 /nfs/dbraw/zinc/26/56/73/414265673.db2.gz KJPNQCFMJRCRMF-YGRLFVJLSA-N 2 0 297.240 2.504 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000658176971 414266747 /nfs/dbraw/zinc/26/67/47/414266747.db2.gz LRLREIPWYSOFBQ-RDJZCZTQSA-N 2 0 260.425 2.918 20 0 CFADRP C[C@H]([NH2+]C[C@]1(c2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000665299515 414271531 /nfs/dbraw/zinc/27/15/31/414271531.db2.gz OLYSLGJZWPCUTR-DAYGRLMNSA-N 2 0 272.436 2.942 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@]2(C)CC2(F)F)CC1 ZINC000658225970 414300132 /nfs/dbraw/zinc/30/01/32/414300132.db2.gz XKMLXPLOMMDKNZ-CYBMUJFWSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(OC(F)F)cc1 ZINC000037715176 173633972 /nfs/dbraw/zinc/63/39/72/173633972.db2.gz DNNRNEPKOWXXBK-SNVBAGLBSA-N 2 0 258.312 2.678 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)C[NH+]1CCCCC1 ZINC000655698152 414372112 /nfs/dbraw/zinc/37/21/12/414372112.db2.gz XWDSQZNVUASDOB-KFWWJZLASA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000658328234 414378188 /nfs/dbraw/zinc/37/81/88/414378188.db2.gz VHEXPSWRMIDBKY-UHFFFAOYSA-N 2 0 250.386 2.675 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000655715966 414386458 /nfs/dbraw/zinc/38/64/58/414386458.db2.gz MFMOZXPYKRWFHI-OCCSQVGLSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000655734257 414396833 /nfs/dbraw/zinc/39/68/33/414396833.db2.gz DBAQKSWXUJHRBI-VXGQWTEUSA-N 2 0 270.486 2.981 20 0 CFADRP c1cn2c(n1)[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CCC2 ZINC000655770562 414422103 /nfs/dbraw/zinc/42/21/03/414422103.db2.gz LFNKZKODIOORAK-HNNXBMFYSA-N 2 0 276.428 2.574 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cn2ccccc2n1 ZINC000655776484 414427816 /nfs/dbraw/zinc/42/78/16/414427816.db2.gz HDPOHIPLDLCLEN-WLYUNCDWSA-N 2 0 286.423 2.858 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CCC1CCOCC1 ZINC000662180759 414446569 /nfs/dbraw/zinc/44/65/69/414446569.db2.gz VSLJUNSROIQCOM-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1-c1ccccc1 ZINC000655804392 414449137 /nfs/dbraw/zinc/44/91/37/414449137.db2.gz XZWUAYQCHMNRDW-YQQAZPJKSA-N 2 0 298.434 2.863 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000655804298 414449267 /nfs/dbraw/zinc/44/92/67/414449267.db2.gz SPNWWPCUDZFRGR-GMXVVIOVSA-N 2 0 289.379 2.524 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000655803996 414449711 /nfs/dbraw/zinc/44/97/11/414449711.db2.gz LOEHGPQIOIYSGE-UHOFOFEASA-N 2 0 296.842 2.957 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000655805201 414450811 /nfs/dbraw/zinc/45/08/11/414450811.db2.gz KPJVWHOONDUZHP-BJJXKVORSA-N 2 0 279.403 2.848 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)COC2 ZINC000655806217 414450944 /nfs/dbraw/zinc/45/09/44/414450944.db2.gz ROYDWCJITKYHQJ-XNJGSVPQSA-N 2 0 274.408 2.708 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C)c1 ZINC000655806531 414450949 /nfs/dbraw/zinc/45/09/49/414450949.db2.gz BEDIXFUCFCQECX-NXHRZFHOSA-N 2 0 287.451 2.703 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000655805259 414451655 /nfs/dbraw/zinc/45/16/55/414451655.db2.gz DTKHOVNSYSAGBD-GMXVVIOVSA-N 2 0 268.351 2.956 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806152 414451763 /nfs/dbraw/zinc/45/17/63/414451763.db2.gz ZXZKTBGFGCVXOW-LGWLGOQQSA-N 2 0 258.409 2.850 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ncc(C)cc2C)[C@@H](C)C1 ZINC000655812120 414454730 /nfs/dbraw/zinc/45/47/30/414454730.db2.gz ZSHLWSVOWPVFDQ-DOTOQJQBSA-N 2 0 275.440 2.561 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000655824135 414459923 /nfs/dbraw/zinc/45/99/23/414459923.db2.gz GBXOOKOOZJBCQR-OTVXOJSOSA-N 2 0 258.365 2.863 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000655825126 414462586 /nfs/dbraw/zinc/46/25/86/414462586.db2.gz XSVRUIAOCQZVJW-LLLHUVSDSA-N 2 0 258.409 2.720 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000655827625 414464126 /nfs/dbraw/zinc/46/41/26/414464126.db2.gz VMRCCBJVVAIUDP-BSVLYXQASA-N 2 0 280.362 2.908 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827644 414464198 /nfs/dbraw/zinc/46/41/98/414464198.db2.gz WBSWMZBFFNRQLW-JNSHFYNHSA-N 2 0 250.361 2.564 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000655827626 414465159 /nfs/dbraw/zinc/46/51/59/414465159.db2.gz VMRCCBJVVAIUDP-OKTJBPBDSA-N 2 0 280.362 2.908 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+])C1CCCCC1 ZINC000662234826 414468904 /nfs/dbraw/zinc/46/89/04/414468904.db2.gz NSFSXGDBISREEN-NUEKZKHPSA-N 2 0 268.445 2.783 20 0 CFADRP C[N@H+](CC[C@H]1CCc2ccccc21)C1CC[NH2+]CC1 ZINC000662235958 414469650 /nfs/dbraw/zinc/46/96/50/414469650.db2.gz AVXUPVLONAFAFI-OAHLLOKOSA-N 2 0 258.409 2.790 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)nn1C ZINC000658353904 414397456 /nfs/dbraw/zinc/39/74/56/414397456.db2.gz TYCVGSIVERLYAJ-AWEZNQCLSA-N 2 0 290.455 2.501 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352168 414398184 /nfs/dbraw/zinc/39/81/84/414398184.db2.gz DMJFTXZWTASGMN-CYBMUJFWSA-N 2 0 288.439 2.558 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000658355778 414401118 /nfs/dbraw/zinc/40/11/18/414401118.db2.gz KOUFUNFKRFIHEC-MRXNPFEDSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662245663 414474423 /nfs/dbraw/zinc/47/44/23/414474423.db2.gz MXUWOPKRRZPVJI-GFCCVEGCSA-N 2 0 289.448 2.898 20 0 CFADRP CC[C@@H](CC(F)F)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000662246636 414474977 /nfs/dbraw/zinc/47/49/77/414474977.db2.gz AACFVDNCGJHOOA-RYUDHWBXSA-N 2 0 250.377 2.973 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662250981 414475836 /nfs/dbraw/zinc/47/58/36/414475836.db2.gz USDKAIFHJUCHME-GOEBONIOSA-N 2 0 274.408 2.509 20 0 CFADRP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250637 414476466 /nfs/dbraw/zinc/47/64/66/414476466.db2.gz KMMMXEUEZOUXNL-GJZGRUSLSA-N 2 0 274.408 2.509 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248624 414476614 /nfs/dbraw/zinc/47/66/14/414476614.db2.gz IABBIYBODBDOHC-KRWDZBQOSA-N 2 0 288.435 2.728 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)on1 ZINC000662251521 414476667 /nfs/dbraw/zinc/47/66/67/414476667.db2.gz DOPROSPHYNGGRW-QGZVFWFLSA-N 2 0 297.402 2.966 20 0 CFADRP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250716 414477123 /nfs/dbraw/zinc/47/71/23/414477123.db2.gz MMGVDHBXFJHRLC-NVXWUHKLSA-N 2 0 286.419 2.653 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000655850164 414478575 /nfs/dbraw/zinc/47/85/75/414478575.db2.gz TUQXHYYIUSDHRC-CWRNSKLLSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)C[C@H]1CCCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256432 414479355 /nfs/dbraw/zinc/47/93/55/414479355.db2.gz LLQRYEVZFGHXMD-HZPDHXFCSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000655850163 414479566 /nfs/dbraw/zinc/47/95/66/414479566.db2.gz TUQXHYYIUSDHRC-BPUTZDHNSA-N 2 0 268.445 2.654 20 0 CFADRP c1ccc([C@@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCC2)cc1 ZINC000662257988 414480856 /nfs/dbraw/zinc/48/08/56/414480856.db2.gz HIICQXCUTBFZDJ-DLBZAZTESA-N 2 0 286.419 2.638 20 0 CFADRP CC(C)CCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258581 414481460 /nfs/dbraw/zinc/48/14/60/414481460.db2.gz KOPJOETXLXNDSH-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662271440 414486101 /nfs/dbraw/zinc/48/61/01/414486101.db2.gz GJJNRLPFLLRFQJ-ZDUSSCGKSA-N 2 0 289.448 2.900 20 0 CFADRP CC1(C)CCCC[C@H]1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000662272549 414488539 /nfs/dbraw/zinc/48/85/39/414488539.db2.gz FYCKIUJIVOHFLL-JKSUJKDBSA-N 2 0 294.483 2.890 20 0 CFADRP C(CC1CCC1)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662273482 414488617 /nfs/dbraw/zinc/48/86/17/414488617.db2.gz NDXGDDLSGGAFAR-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662272709 414488918 /nfs/dbraw/zinc/48/89/18/414488918.db2.gz GZLKGHCZDRJOPV-RWMBFGLXSA-N 2 0 260.372 2.599 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662272666 414489150 /nfs/dbraw/zinc/48/91/50/414489150.db2.gz GURFMTLZVPOCQE-BRWVUGGUSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662273046 414489478 /nfs/dbraw/zinc/48/94/78/414489478.db2.gz KFRVGTOGQJVBCA-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1Cl ZINC000662273122 414489509 /nfs/dbraw/zinc/48/95/09/414489509.db2.gz TXTLJCBZCVJDCM-LBPRGKRZSA-N 2 0 282.815 2.909 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000662274493 414491181 /nfs/dbraw/zinc/49/11/81/414491181.db2.gz USGAHGCSJVQJAB-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1c(F)cccc1Cl ZINC000662280096 414492239 /nfs/dbraw/zinc/49/22/39/414492239.db2.gz CIOQSZBFXMCZIN-WDEREUQCSA-N 2 0 298.789 2.651 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1 ZINC000662280430 414493347 /nfs/dbraw/zinc/49/33/47/414493347.db2.gz DKBZPFDZQHGFTR-LSDHHAIUSA-N 2 0 294.826 2.902 20 0 CFADRP CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284183 414494447 /nfs/dbraw/zinc/49/44/47/414494447.db2.gz FRGXGLRJYNOWCO-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000655937916 414494500 /nfs/dbraw/zinc/49/45/00/414494500.db2.gz IFDGZHVVPSHXHQ-UHFFFAOYSA-N 2 0 287.407 2.692 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000655938913 414494645 /nfs/dbraw/zinc/49/46/45/414494645.db2.gz IBMOCIWUEBLFOW-CYBMUJFWSA-N 2 0 282.378 2.958 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662282214 414494806 /nfs/dbraw/zinc/49/48/06/414494806.db2.gz DKSUJIYPEGQASL-HRCADAONSA-N 2 0 292.467 2.656 20 0 CFADRP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284647 414495458 /nfs/dbraw/zinc/49/54/58/414495458.db2.gz OGBPISQCAOEVEO-HOTGVXAUSA-N 2 0 278.440 2.552 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000662281533 414495683 /nfs/dbraw/zinc/49/56/83/414495683.db2.gz NFOJASQBPMXHQQ-KBAYOESNSA-N 2 0 288.435 2.620 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000655939408 414496060 /nfs/dbraw/zinc/49/60/60/414496060.db2.gz PNARPCYTQNQTFE-LRDDRELGSA-N 2 0 282.378 2.957 20 0 CFADRP CC(C)(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000655941699 414496450 /nfs/dbraw/zinc/49/64/50/414496450.db2.gz ZRHJXXDKMIUOSF-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H](c1ccccn1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291598 414496765 /nfs/dbraw/zinc/49/67/65/414496765.db2.gz IXZGZTCZSLQSHK-GOEBONIOSA-N 2 0 273.424 2.854 20 0 CFADRP Clc1cnccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291842 414496820 /nfs/dbraw/zinc/49/68/20/414496820.db2.gz AHGPTWXVBVFQPD-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@H](c1cccnc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293344 414497023 /nfs/dbraw/zinc/49/70/23/414497023.db2.gz QREMTGLZJINSPC-RHSMWYFYSA-N 2 0 273.424 2.854 20 0 CFADRP CO[C@@H](CN1CCc2ccccc2[C@@H]1C[NH3+])C1CCCC1 ZINC000662286118 414497189 /nfs/dbraw/zinc/49/71/89/414497189.db2.gz OFDIHZNFOZYXAG-ROUUACIJSA-N 2 0 288.435 2.750 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294141 414497541 /nfs/dbraw/zinc/49/75/41/414497541.db2.gz BCXAVZIIQBWVLF-OAHLLOKOSA-N 2 0 291.439 2.757 20 0 CFADRP C[C@H](c1ccccn1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291597 414497742 /nfs/dbraw/zinc/49/77/42/414497742.db2.gz IXZGZTCZSLQSHK-GDBMZVCRSA-N 2 0 273.424 2.854 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC000662285223 414498159 /nfs/dbraw/zinc/49/81/59/414498159.db2.gz HUFXUXNUNKWVHZ-HVKXIDHRSA-N 2 0 292.467 2.641 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H]1CCCCO1 ZINC000662294631 414499117 /nfs/dbraw/zinc/49/91/17/414499117.db2.gz RLHCZNBLJGYVIR-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H]1CCCCO1 ZINC000662294633 414499698 /nfs/dbraw/zinc/49/96/98/414499698.db2.gz RLHCZNBLJGYVIR-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000662301935 414500709 /nfs/dbraw/zinc/50/07/09/414500709.db2.gz IOVFBXJZQHERQW-SWLSCSKDSA-N 2 0 250.361 2.722 20 0 CFADRP [NH3+][C@H]1CCc2ccccc2N(CCCC2CC[NH2+]CC2)C1 ZINC000662302107 414501330 /nfs/dbraw/zinc/50/13/30/414501330.db2.gz XBDPEIJCLZLYSY-KRWDZBQOSA-N 2 0 287.451 2.546 20 0 CFADRP CCCCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662319253 414505447 /nfs/dbraw/zinc/50/54/47/414505447.db2.gz LKVCXYIWZQHXEA-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000662317967 414506206 /nfs/dbraw/zinc/50/62/06/414506206.db2.gz VANZYWMAESLRLX-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC2=CCCCC2)CCO1 ZINC000662325972 414507167 /nfs/dbraw/zinc/50/71/67/414507167.db2.gz MYKHNMJNVRAVDC-KRWDZBQOSA-N 2 0 280.456 2.920 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324563 414507970 /nfs/dbraw/zinc/50/79/70/414507970.db2.gz XYZKAZMPVQCOSP-JKSUJKDBSA-N 2 0 270.461 2.711 20 0 CFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000656201079 414533739 /nfs/dbraw/zinc/53/37/39/414533739.db2.gz JSBFDJCMIDQBDJ-JSGCOSHPSA-N 2 0 278.396 2.626 20 0 CFADRP Cc1cnc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000656200850 414533830 /nfs/dbraw/zinc/53/38/30/414533830.db2.gz RVQRXNUVKUNUTP-CQSZACIVSA-N 2 0 298.434 2.754 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000656202166 414533996 /nfs/dbraw/zinc/53/39/96/414533996.db2.gz ZIAWDORCFDYFDU-BDXSIMOUSA-N 2 0 285.435 2.738 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662399473 414534427 /nfs/dbraw/zinc/53/44/27/414534427.db2.gz OAHJMEMJTAVETJ-UHFFFAOYSA-N 2 0 295.386 2.652 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000656201213 414534702 /nfs/dbraw/zinc/53/47/02/414534702.db2.gz KQZGTGSGHGWXTH-STQMWFEESA-N 2 0 284.407 2.526 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000659848055 414585146 /nfs/dbraw/zinc/58/51/46/414585146.db2.gz WGZRXBXQSUGYBR-NVXWUHKLSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)(C)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000659851273 414587165 /nfs/dbraw/zinc/58/71/65/414587165.db2.gz YOZOORRBDXSJOE-GASCZTMLSA-N 2 0 258.409 2.635 20 0 CFADRP CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000659852189 414588062 /nfs/dbraw/zinc/58/80/62/414588062.db2.gz KQBDGFMLZFWPGK-RHSMWYFYSA-N 2 0 296.430 2.910 20 0 CFADRP CCN(Cc1ccc(Cl)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000659858973 414593107 /nfs/dbraw/zinc/59/31/07/414593107.db2.gz YIJHKUYTWDKXKG-MRXNPFEDSA-N 2 0 298.858 2.863 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000659876193 414602414 /nfs/dbraw/zinc/60/24/14/414602414.db2.gz CKCSAGLEYKEYEP-SJORKVTESA-N 2 0 282.472 2.590 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc(C)n1 ZINC000659877470 414602691 /nfs/dbraw/zinc/60/26/91/414602691.db2.gz RSXXITCRZUHHQV-UHFFFAOYSA-N 2 0 290.455 2.646 20 0 CFADRP [NH3+]C[C@H]1CCCc2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc21 ZINC000656560778 414607236 /nfs/dbraw/zinc/60/72/36/414607236.db2.gz HZARHWHHALZNSU-UKRRQHHQSA-N 2 0 298.390 2.540 20 0 CFADRP CO[C@H](C[N@H+](C)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000659919033 414615138 /nfs/dbraw/zinc/61/51/38/414615138.db2.gz GYLUKKTZMBPENI-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659920783 414615510 /nfs/dbraw/zinc/61/55/10/414615510.db2.gz QEGJMGYXFGPUGV-OWCLPIDISA-N 2 0 250.430 2.696 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000659931634 414619206 /nfs/dbraw/zinc/61/92/06/414619206.db2.gz RSVNOYIBKUOGNQ-MRXNPFEDSA-N 2 0 296.499 2.981 20 0 CFADRP C([C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)[NH+]1CCCC1 ZINC000659946191 414625157 /nfs/dbraw/zinc/62/51/57/414625157.db2.gz DGSORQJMVSZHJU-TWMKSMIVSA-N 2 0 262.441 2.840 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000656268925 414553775 /nfs/dbraw/zinc/55/37/75/414553775.db2.gz JCSKGFGWZKIXTB-IYBDPMFKSA-N 2 0 276.424 2.775 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCC1 ZINC000659842912 414581110 /nfs/dbraw/zinc/58/11/10/414581110.db2.gz HNLFHTQGQXFWTH-KRWDZBQOSA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659842684 414581949 /nfs/dbraw/zinc/58/19/49/414581949.db2.gz CRYZVMIFBQPRGE-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC=C(C)C)C1 ZINC000659978147 414637534 /nfs/dbraw/zinc/63/75/34/414637534.db2.gz AIFXTOLZLBFQOD-MRXNPFEDSA-N 2 0 268.445 2.775 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC2CCC2)C1 ZINC000659973781 414637564 /nfs/dbraw/zinc/63/75/64/414637564.db2.gz HJSWUNZEHSQLJE-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000038040931 174041193 /nfs/dbraw/zinc/04/11/93/174041193.db2.gz LAOFSXNOPSMDLS-SNVBAGLBSA-N 2 0 270.323 2.691 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659956699 414632381 /nfs/dbraw/zinc/63/23/81/414632381.db2.gz MEDKZEWDHNVMDS-WCXIOVBPSA-N 2 0 262.441 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](OC)C2CCCC2)C[C@@H]1C ZINC000659983668 414641191 /nfs/dbraw/zinc/64/11/91/414641191.db2.gz SBLPFNPWKVGANM-XIRDDKMYSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000659983790 414642459 /nfs/dbraw/zinc/64/24/59/414642459.db2.gz VWKKNQIKQIGTIR-MHORFTMASA-N 2 0 295.515 2.769 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000372408657 287289771 /nfs/dbraw/zinc/28/97/71/287289771.db2.gz LYOSKYIHUTXDCR-IWCQGFGOSA-N 2 0 294.483 2.779 20 0 CFADRP Cc1nc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C)o1 ZINC000660115672 414664808 /nfs/dbraw/zinc/66/48/08/414664808.db2.gz YUTRWCMGIFNYKH-ABAIWWIYSA-N 2 0 274.368 2.571 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCC1 ZINC000660115452 414665576 /nfs/dbraw/zinc/66/55/76/414665576.db2.gz OLRWFXAIKVHQDW-BPQIPLTHSA-N 2 0 292.467 2.750 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000040599296 174350373 /nfs/dbraw/zinc/35/03/73/174350373.db2.gz JBGOFKDYZFZOOS-AWEZNQCLSA-N 2 0 280.387 2.526 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000040770292 174399878 /nfs/dbraw/zinc/39/98/78/174399878.db2.gz DAJAUOGOURHIFR-FUHWJXTLSA-N 2 0 295.515 2.817 20 0 CFADRP c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663346602 414677637 /nfs/dbraw/zinc/67/76/37/414677637.db2.gz AMWQFJLIZKEOCW-KRWDZBQOSA-N 2 0 258.409 2.898 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663345540 414678371 /nfs/dbraw/zinc/67/83/71/414678371.db2.gz KOEPIFBWTUAFOP-KURKYZTESA-N 2 0 294.483 2.902 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515599 175190191 /nfs/dbraw/zinc/19/01/91/175190191.db2.gz JBTPYALKDKCFEK-CQSZACIVSA-N 2 0 276.424 2.996 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000044517540 175190499 /nfs/dbraw/zinc/19/04/99/175190499.db2.gz RVLNRSQTTNRMTM-CYBMUJFWSA-N 2 0 262.397 2.775 20 0 CFADRP CCOc1ccccc1C[NH2+]CC1CC[NH+](CC)CC1 ZINC000044517321 175190543 /nfs/dbraw/zinc/19/05/43/175190543.db2.gz JTYUZPFKAZCPRX-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000044518418 175191117 /nfs/dbraw/zinc/19/11/17/175191117.db2.gz KPIYVKFNWOTDBW-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044530158 175194823 /nfs/dbraw/zinc/19/48/23/175194823.db2.gz JBOQDKOGLJYTCF-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000044537839 175199711 /nfs/dbraw/zinc/19/97/11/175199711.db2.gz NABKLOMALBHYJB-ZDUSSCGKSA-N 2 0 255.365 2.989 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070938932 176013205 /nfs/dbraw/zinc/01/32/05/176013205.db2.gz SGZLGEALDOTUPO-ZDUSSCGKSA-N 2 0 257.381 2.599 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422884063 287347927 /nfs/dbraw/zinc/34/79/27/287347927.db2.gz ROEPIDWMKALBFZ-KLAILNCOSA-N 3 0 281.488 2.606 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000182963364 287393483 /nfs/dbraw/zinc/39/34/83/287393483.db2.gz RKTRMRVQPWQDPV-MSOLQXFVSA-N 2 0 295.515 2.772 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424385525 287620225 /nfs/dbraw/zinc/62/02/25/287620225.db2.gz WHRGOCWCQCJHSS-BVUBDWEXSA-N 2 0 250.430 2.933 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401124830 420504064 /nfs/dbraw/zinc/50/40/64/420504064.db2.gz KSRFWVDMTOTDSZ-KWCYVHTRSA-N 2 0 296.361 2.766 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000401027241 420504186 /nfs/dbraw/zinc/50/41/86/420504186.db2.gz VCDOSUPCXPWNPE-HBNTYKKESA-N 2 0 270.829 2.879 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187704560 260042805 /nfs/dbraw/zinc/04/28/05/260042805.db2.gz BFRLWANEFSAGEW-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312792232 260204024 /nfs/dbraw/zinc/20/40/24/260204024.db2.gz JDWDKIFDXFMPIT-RWMBFGLXSA-N 2 0 280.362 2.957 20 0 CFADRP CC(C)c1ccc([C@@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000313403662 260291352 /nfs/dbraw/zinc/29/13/52/260291352.db2.gz VHQSJZSKZWSIMM-RHSMWYFYSA-N 2 0 276.424 2.921 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000521067670 260365537 /nfs/dbraw/zinc/36/55/37/260365537.db2.gz AHAMDXHBWLNQGH-YESZJQIVSA-N 2 0 275.440 2.669 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOCc1ccccc1 ZINC000390079270 262106367 /nfs/dbraw/zinc/10/63/67/262106367.db2.gz AKKHGIHJSWOPGO-INIZCTEOSA-N 2 0 276.424 2.571 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000390563306 262218583 /nfs/dbraw/zinc/21/85/83/262218583.db2.gz KZJMWDNOHGZJOC-KBAYOESNSA-N 2 0 289.467 2.614 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000390671928 262237522 /nfs/dbraw/zinc/23/75/22/262237522.db2.gz NZFPYMJUGYMOBT-AAVRWANBSA-N 2 0 272.383 2.932 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000393835131 262237769 /nfs/dbraw/zinc/23/77/69/262237769.db2.gz MXNXHENBXVBFHA-RQJABVFESA-N 2 0 268.470 2.781 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC000020201941 262239051 /nfs/dbraw/zinc/23/90/51/262239051.db2.gz PYPZRLXSQJTLQA-QGZVFWFLSA-N 2 0 283.504 2.817 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193087173 262278123 /nfs/dbraw/zinc/27/81/23/262278123.db2.gz JQSUTVOKTHSCAI-UHFFFAOYSA-N 2 0 291.420 2.835 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC(C)(C)CO ZINC000393411450 262347256 /nfs/dbraw/zinc/34/72/56/262347256.db2.gz ZFSHPPVPNUNWTA-GJZGRUSLSA-N 2 0 270.461 2.686 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC(C)(C)CO ZINC000393411452 262347315 /nfs/dbraw/zinc/34/73/15/262347315.db2.gz ZFSHPPVPNUNWTA-HUUCEWRRSA-N 2 0 270.461 2.686 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000390836176 262349848 /nfs/dbraw/zinc/34/98/48/262349848.db2.gz QOHYDZHELDTIMU-ZSNVMCELSA-N 2 0 279.472 2.512 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000391119854 262382151 /nfs/dbraw/zinc/38/21/51/262382151.db2.gz ILGWEFBMBYEMQH-YESZJQIVSA-N 2 0 273.424 2.790 20 0 CFADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422860589 533686082 /nfs/dbraw/zinc/68/60/82/533686082.db2.gz LQUAWFBQVMMDIR-ZJPYXAASSA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)C[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000093514139 265186765 /nfs/dbraw/zinc/18/67/65/265186765.db2.gz BHVVJEUXURANBO-IXDOHACOSA-N 2 0 283.504 2.863 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2ccccc2OC)C1 ZINC000011888900 265308868 /nfs/dbraw/zinc/30/88/68/265308868.db2.gz TZMVKBDLJZELEU-HNNXBMFYSA-N 2 0 276.424 2.559 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422822025 276398375 /nfs/dbraw/zinc/39/83/75/276398375.db2.gz ZNWSDCYFEMDGJP-RQJABVFESA-N 2 0 256.459 2.768 20 0 CFADRP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000191957806 270228732 /nfs/dbraw/zinc/22/87/32/270228732.db2.gz IFPPQRZRBFAGQL-HNNXBMFYSA-N 2 0 298.471 2.770 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000192745689 270233962 /nfs/dbraw/zinc/23/39/62/270233962.db2.gz YVGPKOYORQSSEB-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)(C[NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236628802 270262750 /nfs/dbraw/zinc/26/27/50/270262750.db2.gz LQCBANFEMPVFDD-UHFFFAOYSA-N 2 0 289.423 2.596 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000237143542 270264792 /nfs/dbraw/zinc/26/47/92/270264792.db2.gz LKDHLNMHIOMXMI-CQSZACIVSA-N 2 0 289.423 2.609 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257741546 270273958 /nfs/dbraw/zinc/27/39/58/270273958.db2.gz YWADZDFQCFEMIW-QGZVFWFLSA-N 2 0 258.409 2.613 20 0 CFADRP CC(C)(C)c1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000258910433 270274922 /nfs/dbraw/zinc/27/49/22/270274922.db2.gz ICXXYBSVGQHTDY-CVEARBPZSA-N 2 0 260.425 2.996 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)COC2 ZINC000268986924 270276891 /nfs/dbraw/zinc/27/68/91/270276891.db2.gz IYQUKDDDSVKFCH-CYBMUJFWSA-N 2 0 262.397 2.709 20 0 CFADRP c1ccc2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000315268404 270291865 /nfs/dbraw/zinc/29/18/65/270291865.db2.gz UPOAJQPBCCFRNN-CALCHBBNSA-N 2 0 281.403 2.666 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)CC(C)(C)C ZINC000393441993 270307399 /nfs/dbraw/zinc/30/73/99/270307399.db2.gz OFKIQGHDKWPUEH-ILXRZTDVSA-N 2 0 270.461 2.684 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(OC)c1 ZINC000397234238 270316718 /nfs/dbraw/zinc/31/67/18/270316718.db2.gz AMCBOZMRDMGMLY-NFAWXSAZSA-N 2 0 292.423 2.509 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1C ZINC000397332942 270317422 /nfs/dbraw/zinc/31/74/22/270317422.db2.gz XJMQCKZMHDGIQR-ZLDLUXBVSA-N 2 0 291.439 2.512 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000397901369 270320424 /nfs/dbraw/zinc/32/04/24/270320424.db2.gz WRNVVIRQZRFDAE-WMZOPIPTSA-N 2 0 289.467 2.758 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422930886 270332489 /nfs/dbraw/zinc/33/24/89/270332489.db2.gz WJODQKWCRICINU-VHDGCEQUSA-N 2 0 282.815 2.967 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000424377850 270333331 /nfs/dbraw/zinc/33/33/31/270333331.db2.gz RYKYUOXWJVIWEG-UAOKOLBASA-N 2 0 262.372 2.731 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459412254 270337914 /nfs/dbraw/zinc/33/79/14/270337914.db2.gz RITMRXFNIOPUKX-UHFFFAOYSA-N 2 0 295.515 2.674 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000514672952 270348500 /nfs/dbraw/zinc/34/85/00/270348500.db2.gz COROPOBITJYRCV-INIZCTEOSA-N 2 0 274.408 2.584 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000514672953 270348610 /nfs/dbraw/zinc/34/86/10/270348610.db2.gz COROPOBITJYRCV-MRXNPFEDSA-N 2 0 274.408 2.584 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000515190583 270364997 /nfs/dbraw/zinc/36/49/97/270364997.db2.gz IXLSSVVVCIZLSW-TWMKSMIVSA-N 2 0 281.488 2.569 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000515311602 270367164 /nfs/dbraw/zinc/36/71/64/270367164.db2.gz PMLDFKFLXPYDMW-XDQVBPFNSA-N 2 0 256.459 2.910 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000516266309 270379398 /nfs/dbraw/zinc/37/93/98/270379398.db2.gz DUTREROLLOUIGT-UHFFFAOYSA-N 2 0 272.436 2.864 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000516843165 270388703 /nfs/dbraw/zinc/38/87/03/270388703.db2.gz LMAFMYZQSFMNFJ-HZPDHXFCSA-N 2 0 282.472 2.854 20 0 CFADRP CCC[C@H](CCc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422781675 273620767 /nfs/dbraw/zinc/62/07/67/273620767.db2.gz MFZFRDCLEBCJCZ-RHSMWYFYSA-N 2 0 260.425 2.985 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272383 273966482 /nfs/dbraw/zinc/96/64/82/273966482.db2.gz KAHGAECGABAXCS-BLLLJJGKSA-N 2 0 271.408 2.990 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424382156 274122800 /nfs/dbraw/zinc/12/28/00/274122800.db2.gz ZYRWKWPNGKAMLZ-BRWVUGGUSA-N 2 0 274.408 2.932 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000092836932 274132036 /nfs/dbraw/zinc/13/20/36/274132036.db2.gz SGSAOFIOOOCZKC-KRWDZBQOSA-N 2 0 274.408 2.614 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000423280720 274138790 /nfs/dbraw/zinc/13/87/90/274138790.db2.gz ULUFYKUBBFFBKO-RRQGHBQHSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423384536 274138975 /nfs/dbraw/zinc/13/89/75/274138975.db2.gz QJIOTPKGZYJWRS-HACGYAERSA-N 2 0 274.408 2.803 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423433578 274208377 /nfs/dbraw/zinc/20/83/77/274208377.db2.gz KAKFOLFUQJMQAL-WFASDCNBSA-N 2 0 291.439 2.978 20 0 CFADRP C[C@@H]([NH2+]C1CCc2ccccc2CC1)[C@@H]1CCC[NH2+]1 ZINC000423161974 274244970 /nfs/dbraw/zinc/24/49/70/274244970.db2.gz OKUCUGDYJNIWIL-DYVFJYSZSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000423397778 274378001 /nfs/dbraw/zinc/37/80/01/274378001.db2.gz OMGJKPBBGAOTPU-WQVCFCJDSA-N 2 0 258.409 2.997 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC[NH2+]1 ZINC000414749201 274385916 /nfs/dbraw/zinc/38/59/16/274385916.db2.gz XVBXOPZRTAOKAS-CABCVRRESA-N 2 0 270.420 2.922 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000477944965 274392363 /nfs/dbraw/zinc/39/23/63/274392363.db2.gz XHYJOHWVNWTNOY-NRSFXHEJSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CSc3ccccc32)CC[N@@H+]1C ZINC000251750603 274392415 /nfs/dbraw/zinc/39/24/15/274392415.db2.gz DDXMSSHWHQVESU-RDBSUJKOSA-N 2 0 276.449 2.948 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCSC1 ZINC000423135390 274506065 /nfs/dbraw/zinc/50/60/65/274506065.db2.gz XWVAZYFYXFJIBW-BPUTZDHNSA-N 2 0 278.465 2.678 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422901807 274947944 /nfs/dbraw/zinc/94/79/44/274947944.db2.gz CKNDQLLSYBMIRO-UXLLHSPISA-N 2 0 258.409 2.824 20 0 CFADRP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855352 275069044 /nfs/dbraw/zinc/06/90/44/275069044.db2.gz DZHUDTQDKRHCPA-OKILXGFUSA-N 2 0 276.383 2.908 20 0 CFADRP C([NH2+]C[C@H]1CCCOC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435749362 275394899 /nfs/dbraw/zinc/39/48/99/275394899.db2.gz SWHKMIGQLOTLFM-NVXWUHKLSA-N 2 0 280.456 2.800 20 0 CFADRP C([C@H]1CCSC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000369481621 275398032 /nfs/dbraw/zinc/39/80/32/275398032.db2.gz JANZVOHXEZWTRQ-IIAWOOMASA-N 2 0 280.481 2.688 20 0 CFADRP CC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC[NH2+]CC1 ZINC000335023298 275897659 /nfs/dbraw/zinc/89/76/59/275897659.db2.gz KFNRQICVFLRVFW-HNNXBMFYSA-N 2 0 262.372 2.792 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453331936 276003375 /nfs/dbraw/zinc/00/33/75/276003375.db2.gz AOSPIGBHGLVRBT-ZVDSWSACSA-N 2 0 250.430 2.741 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000453105102 276004177 /nfs/dbraw/zinc/00/41/77/276004177.db2.gz GTGICQKHYJDBJQ-ZFWWWQNUSA-N 2 0 276.428 2.601 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337381257 276097660 /nfs/dbraw/zinc/09/76/60/276097660.db2.gz DBOZPSMOWOSTCX-QWHCGFSZSA-N 2 0 278.387 2.858 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000349687158 276100112 /nfs/dbraw/zinc/10/01/12/276100112.db2.gz ZEYISKSTBREYEQ-CRAIPNDOSA-N 2 0 290.451 2.868 20 0 CFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)COC ZINC000268771342 276100616 /nfs/dbraw/zinc/10/06/16/276100616.db2.gz LQDMHUDRVJMGMZ-OAHLLOKOSA-N 2 0 294.439 2.532 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(O)CCC(C)CC2)C1 ZINC000304335954 276105973 /nfs/dbraw/zinc/10/59/73/276105973.db2.gz WXHVBBAFQTXZTA-CGZBRXJRSA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400426597 276110762 /nfs/dbraw/zinc/11/07/62/276110762.db2.gz YVYLEYWMAWNYEL-QAPCUYQASA-N 2 0 289.467 2.759 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000366017143 276151052 /nfs/dbraw/zinc/15/10/52/276151052.db2.gz METWCHQNBGONNT-CXAGYDPISA-N 2 0 274.408 2.625 20 0 CFADRP CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000335520288 276152318 /nfs/dbraw/zinc/15/23/18/276152318.db2.gz QPZRNAZODQJKKR-GXTWGEPZSA-N 2 0 262.397 2.882 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000358248025 276165711 /nfs/dbraw/zinc/16/57/11/276165711.db2.gz GSFSKVKESRRTLB-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC2(OC)CCC2)C1 ZINC000429446434 276176004 /nfs/dbraw/zinc/17/60/04/276176004.db2.gz JJIAJNNCLNDKHB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000358959238 276180450 /nfs/dbraw/zinc/18/04/50/276180450.db2.gz ZVSYRWRBQDRUPW-OKZBNKHCSA-N 2 0 294.483 2.661 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000250288247 276198758 /nfs/dbraw/zinc/19/87/58/276198758.db2.gz NPDUEFJPQSAVIY-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](CC)OC)CC1 ZINC000419210063 276229587 /nfs/dbraw/zinc/22/95/87/276229587.db2.gz PYSMRDBBCZMJKN-INIZCTEOSA-N 2 0 270.461 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000247955469 276229805 /nfs/dbraw/zinc/22/98/05/276229805.db2.gz FMFCPFYFMMNIPJ-UXLLHSPISA-N 2 0 288.435 2.873 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H](C)[C@@H](OC)C23CCC3)[C@H](C)C1 ZINC000363911755 276231012 /nfs/dbraw/zinc/23/10/12/276231012.db2.gz UVTGPVRLVIFEFI-LYYZXLFJSA-N 2 0 280.456 2.510 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000195117063 276252838 /nfs/dbraw/zinc/25/28/38/276252838.db2.gz LKCCLXNJNYIMAW-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@H+]1C[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000435744730 276253455 /nfs/dbraw/zinc/25/34/55/276253455.db2.gz HFIJAYPVOPDQAT-JQHSSLGASA-N 2 0 293.499 2.713 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000420311921 276254679 /nfs/dbraw/zinc/25/46/79/276254679.db2.gz WHQZEJHVCZIKCZ-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177275539 276269850 /nfs/dbraw/zinc/26/98/50/276269850.db2.gz UONHBLLTQIAXAP-OAGGEKHMSA-N 2 0 282.472 2.996 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC23CCC(CC2)C3)C1 ZINC000347733456 276307980 /nfs/dbraw/zinc/30/79/80/276307980.db2.gz CXVBCUFTAPAUPC-HWOWSKLDSA-N 2 0 250.430 2.840 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C=CCCC2)[C@H](C)C1 ZINC000246289956 276316231 /nfs/dbraw/zinc/31/62/31/276316231.db2.gz CHABPLQKXBQHSB-ZACQAIPSSA-N 2 0 280.456 2.822 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000349683774 276327881 /nfs/dbraw/zinc/32/78/81/276327881.db2.gz IMQXPGNVCFXQNQ-ZSHCYNCHSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccco1 ZINC000119088560 276340547 /nfs/dbraw/zinc/34/05/47/276340547.db2.gz GLFUSZDFYKLBRL-HRCADAONSA-N 2 0 293.455 2.592 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000193429867 276358594 /nfs/dbraw/zinc/35/85/94/276358594.db2.gz UQABSVMDWPQPSW-KZNAEPCWSA-N 2 0 288.435 2.981 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422881835 276368991 /nfs/dbraw/zinc/36/89/91/276368991.db2.gz ZFSRRWLUAZKNDW-STQMWFEESA-N 2 0 250.386 2.609 20 0 CFADRP CCOc1cccc(C[NH2+][C@H](C)CC[NH3+])c1OC(F)F ZINC000414878777 276380480 /nfs/dbraw/zinc/38/04/80/276380480.db2.gz HJSVFJASTINQPJ-SNVBAGLBSA-N 2 0 288.338 2.514 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250256815 276383562 /nfs/dbraw/zinc/38/35/62/276383562.db2.gz XBIHISOXLNDBIW-GJZGRUSLSA-N 2 0 292.423 2.523 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(SC)CC2)[C@H](C)C1 ZINC000347844723 276398838 /nfs/dbraw/zinc/39/88/38/276398838.db2.gz CAHOEBIMUXPCPE-OLZOCXBDSA-N 2 0 256.459 2.544 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000178038564 276532063 /nfs/dbraw/zinc/53/20/63/276532063.db2.gz JMYUCGJEPWQCNB-BZUAXINKSA-N 2 0 270.461 2.900 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCOCC[NH+](CC)CC)C1 ZINC000349668906 276553524 /nfs/dbraw/zinc/55/35/24/276553524.db2.gz RUQVCQATIDUWOT-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000430720930 276557203 /nfs/dbraw/zinc/55/72/03/276557203.db2.gz NVWUZVZEHYBUQQ-MLHJIOFPSA-N 2 0 296.499 2.884 20 0 CFADRP CC[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000422961887 276569601 /nfs/dbraw/zinc/56/96/01/276569601.db2.gz DCXIPPARZIDDNX-COXVUDFISA-N 2 0 273.424 2.595 20 0 CFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC([NH+](C)C)C1 ZINC000302110583 276657293 /nfs/dbraw/zinc/65/72/93/276657293.db2.gz AESIYNJTGINIAV-UHFFFAOYSA-N 2 0 269.392 2.856 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000331419502 276692649 /nfs/dbraw/zinc/69/26/49/276692649.db2.gz WSBTWKHWNUCFAN-GRYCIOLGSA-N 2 0 279.453 2.800 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+]C(C1CCC1)C1CCC1 ZINC000423279992 276812591 /nfs/dbraw/zinc/81/25/91/276812591.db2.gz TXVGXTGTRBVVRE-ZDUSSCGKSA-N 2 0 250.430 2.935 20 0 CFADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414833714 276813128 /nfs/dbraw/zinc/81/31/28/276813128.db2.gz GRHCLIDWSVAZHT-OAHLLOKOSA-N 2 0 280.456 2.705 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000078695681 276832006 /nfs/dbraw/zinc/83/20/06/276832006.db2.gz CAMFPLAVZIKRCI-CYBMUJFWSA-N 2 0 273.355 2.904 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CCC[C@H]([C@H]3CCOC3)C2)[C@@H]1C1CC[NH2+]CC1 ZINC000423435597 276853905 /nfs/dbraw/zinc/85/39/05/276853905.db2.gz LFGPWBQKHYTAHA-KFGODFMUSA-N 2 0 292.467 2.559 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423198863 277022989 /nfs/dbraw/zinc/02/29/89/277022989.db2.gz IJBMEKLEZKAQBG-HNNXBMFYSA-N 2 0 262.397 2.617 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000211140079 277026839 /nfs/dbraw/zinc/02/68/39/277026839.db2.gz RGHYLQZPVZTVKU-INIZCTEOSA-N 2 0 262.372 2.744 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000378643281 277043845 /nfs/dbraw/zinc/04/38/45/277043845.db2.gz AJCKYASCFUVYSD-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3occc32)C1 ZINC000414170700 277053315 /nfs/dbraw/zinc/05/33/15/277053315.db2.gz CDZHBMWFNNUBSV-ZFWWWQNUSA-N 2 0 262.397 2.979 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423363773 277083666 /nfs/dbraw/zinc/08/36/66/277083666.db2.gz AKIMNPPAUBXUJI-HZUKXOBISA-N 2 0 275.396 2.566 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCCOC(C)(C)C)C2)C1 ZINC000339441498 277086602 /nfs/dbraw/zinc/08/66/02/277086602.db2.gz YOGNGCFAHVFBSC-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415128226 277140058 /nfs/dbraw/zinc/14/00/58/277140058.db2.gz RXQWDPVFYMJXTL-LSDHHAIUSA-N 2 0 268.445 2.641 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000367739924 277170074 /nfs/dbraw/zinc/17/00/74/277170074.db2.gz YGQCUZLSLKXHCA-BZSNNMDCSA-N 2 0 270.420 2.616 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353432104 277171370 /nfs/dbraw/zinc/17/13/70/277171370.db2.gz ABVYMCRJZQDMSK-YESZJQIVSA-N 2 0 258.409 2.692 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353601526 277171873 /nfs/dbraw/zinc/17/18/73/277171873.db2.gz AUXBAEBQYGZXQD-BDXSIMOUSA-N 2 0 294.483 2.638 20 0 CFADRP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423522691 277173137 /nfs/dbraw/zinc/17/31/37/277173137.db2.gz XYZPSJZKSOOBCR-NRSFXHEJSA-N 2 0 287.451 2.539 20 0 CFADRP COC1(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CCCCC1 ZINC000361495018 277183586 /nfs/dbraw/zinc/18/35/86/277183586.db2.gz BHEGQRYYBKVDOC-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP COC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000361545131 277186035 /nfs/dbraw/zinc/18/60/35/277186035.db2.gz ZMOONDPLHDFZCT-RDJZCZTQSA-N 2 0 292.467 2.894 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000359001604 277192841 /nfs/dbraw/zinc/19/28/41/277192841.db2.gz MNIAVLJSVIPNIG-UIDBIOKJSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@H]2[C@H]1c1ccccc1 ZINC000370689815 277198142 /nfs/dbraw/zinc/19/81/42/277198142.db2.gz KXCQULWFNITARV-FCGDIQPGSA-N 2 0 298.430 2.914 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000353545793 277199491 /nfs/dbraw/zinc/19/94/91/277199491.db2.gz DZILFAWTCGYNKN-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422892668 277203228 /nfs/dbraw/zinc/20/32/28/277203228.db2.gz ZDLITNKOLXRTPJ-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP COCCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694678 277204259 /nfs/dbraw/zinc/20/42/59/277204259.db2.gz KEONSVKMWMAHHO-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)OC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000352558718 277210097 /nfs/dbraw/zinc/21/00/97/277210097.db2.gz YYTQLNCNTFDAGL-JLVJUDLZSA-N 2 0 266.429 2.549 20 0 CFADRP COC[C@H]([NH2+]CCC1CC[NH+](C)CC1)C1CCCC1 ZINC000446834331 277262047 /nfs/dbraw/zinc/26/20/47/277262047.db2.gz HGCVEQBELAYUHG-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000158482454 277266212 /nfs/dbraw/zinc/26/62/12/277266212.db2.gz XDFLOLVLSBQFTL-UHFFFAOYSA-N 2 0 292.471 2.539 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250179361 277270806 /nfs/dbraw/zinc/27/08/06/277270806.db2.gz UJRULYJVDSWOPL-KZNAEPCWSA-N 2 0 288.435 2.843 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423280000 277274790 /nfs/dbraw/zinc/27/47/90/277274790.db2.gz UAKWYVIDNAINRT-OLZOCXBDSA-N 2 0 257.381 2.741 20 0 CFADRP COC(=O)C1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000192445137 277311808 /nfs/dbraw/zinc/31/18/08/277311808.db2.gz CNQXCUICXHNOMF-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423113881 277312765 /nfs/dbraw/zinc/31/27/65/277312765.db2.gz UVMQZYNIUDHHRR-PAYONLEZSA-N 2 0 288.435 2.535 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420379909 277356841 /nfs/dbraw/zinc/35/68/41/277356841.db2.gz BNEDRMGCASQKHX-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](Cn2cccn2)C(C)C)CC1 ZINC000340474269 277386362 /nfs/dbraw/zinc/38/63/62/277386362.db2.gz MPEAAFHTNNKHBG-KRWDZBQOSA-N 2 0 292.471 2.618 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340541869 277397015 /nfs/dbraw/zinc/39/70/15/277397015.db2.gz LDGFNEWCMVERDY-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3(C)CCC3)CC2)CC1 ZINC000432768869 277609059 /nfs/dbraw/zinc/60/90/59/277609059.db2.gz AIGLJPPFIQWPTI-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000420419224 277620443 /nfs/dbraw/zinc/62/04/43/277620443.db2.gz XKCXUESWICRFQJ-CABCVRRESA-N 2 0 260.425 2.942 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H](C)[NH3+] ZINC000423226179 277747784 /nfs/dbraw/zinc/74/77/84/277747784.db2.gz PRILPBJEVHYTIM-SWLSCSKDSA-N 2 0 252.377 2.720 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423393997 277848544 /nfs/dbraw/zinc/84/85/44/277848544.db2.gz ZEMGXYPNQGZWCQ-GMXABZIVSA-N 2 0 278.371 2.552 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000289128953 277995426 /nfs/dbraw/zinc/99/54/26/277995426.db2.gz DTKOTYOXXDZFPC-AWEZNQCLSA-N 2 0 280.387 2.753 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000414840807 278031906 /nfs/dbraw/zinc/03/19/06/278031906.db2.gz NMKWHQVIRUXPJR-GDBMZVCRSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415100782 278045944 /nfs/dbraw/zinc/04/59/44/278045944.db2.gz ALAONWYXGTZGME-VKDHPCIHSA-N 2 0 274.408 2.625 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCCC1 ZINC000422729797 278046908 /nfs/dbraw/zinc/04/69/08/278046908.db2.gz CKONEZHKPILYJR-HZPDHXFCSA-N 2 0 288.435 2.976 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H](C)C2)CC[NH+](C)CC1 ZINC000353226616 278125772 /nfs/dbraw/zinc/12/57/72/278125772.db2.gz ZEUWPYVZLISZJO-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358778485 278163406 /nfs/dbraw/zinc/16/34/06/278163406.db2.gz TYXUVSFJUVUGSL-OLZOCXBDSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000423447722 278169078 /nfs/dbraw/zinc/16/90/78/278169078.db2.gz ZYWQASMPCJVURS-OLZOCXBDSA-N 2 0 274.412 2.741 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422867656 278211251 /nfs/dbraw/zinc/21/12/51/278211251.db2.gz SSMJKZWYAHRSCC-KNCCTNLNSA-N 2 0 287.451 2.984 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CF)CCOCC1 ZINC000423156317 278215923 /nfs/dbraw/zinc/21/59/23/278215923.db2.gz SASIULFJCDUBKS-CABCVRRESA-N 2 0 286.435 2.653 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOC1CCCC1 ZINC000093516523 278215992 /nfs/dbraw/zinc/21/59/92/278215992.db2.gz ZCPXCFBATOATQD-CABCVRRESA-N 2 0 268.445 2.846 20 0 CFADRP C[C@H](F)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423139906 278223240 /nfs/dbraw/zinc/22/32/40/278223240.db2.gz WVGHVROIXOJKJM-JGGQBBKZSA-N 2 0 278.371 2.580 20 0 CFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000348994569 278225259 /nfs/dbraw/zinc/22/52/59/278225259.db2.gz JUUJFWFLEHOIAK-WMZOPIPTSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422733902 278226401 /nfs/dbraw/zinc/22/64/01/278226401.db2.gz RYPSBHKYFHUVQQ-IHRRRGAJSA-N 2 0 281.469 2.600 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423465583 278228220 /nfs/dbraw/zinc/22/82/20/278228220.db2.gz WPZIYYCCORIWDM-ZANVPECISA-N 2 0 254.324 2.669 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1nccn1C ZINC000341758471 278257419 /nfs/dbraw/zinc/25/74/19/278257419.db2.gz PSKHUBPVCLMNIQ-GJZGRUSLSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000459790111 278259625 /nfs/dbraw/zinc/25/96/25/278259625.db2.gz QUJJECCCQQGZBZ-KBPBESRZSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cn1 ZINC000423282985 278270892 /nfs/dbraw/zinc/27/08/92/278270892.db2.gz VNEOCFAUAPTNEU-COPLHBTASA-N 2 0 267.804 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CCC(F)(F)CC1 ZINC000423387043 278283248 /nfs/dbraw/zinc/28/32/48/278283248.db2.gz SHVRNCDPNOBXRE-MDZLAQPJSA-N 2 0 260.372 2.931 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423100674 278315913 /nfs/dbraw/zinc/31/59/13/278315913.db2.gz VLBXTPFKAONEBT-JHNDHUHGSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN(C)c1ccccc1 ZINC000422813058 278315971 /nfs/dbraw/zinc/31/59/71/278315971.db2.gz RISMUAXRXBUNSP-APWZRJJASA-N 2 0 297.446 2.671 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@]1(C)CCCO1 ZINC000340280478 278334961 /nfs/dbraw/zinc/33/49/61/278334961.db2.gz SNCABTVKUUXUNL-CJNGLKHVSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)C1C[NH2+]C1 ZINC000422909449 278341329 /nfs/dbraw/zinc/34/13/29/278341329.db2.gz OAZYCCNFIHAFES-GFCCVEGCSA-N 2 0 262.422 2.509 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)C1 ZINC000453405642 278352201 /nfs/dbraw/zinc/35/22/01/278352201.db2.gz JQTZTLLLQUFHSU-QMCVQRASSA-N 2 0 280.456 2.533 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000119375455 278368766 /nfs/dbraw/zinc/36/87/66/278368766.db2.gz HJAFEZIBWVXOST-HNNXBMFYSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000422767958 278378417 /nfs/dbraw/zinc/37/84/17/278378417.db2.gz NKAGRLKAZMPLCR-CHWSQXEVSA-N 2 0 258.409 2.824 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293649017 288038950 /nfs/dbraw/zinc/03/89/50/288038950.db2.gz ILOWCACIVQZOGL-INIZCTEOSA-N 2 0 292.423 2.856 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000293891690 278414508 /nfs/dbraw/zinc/41/45/08/278414508.db2.gz VZGORNGJNSRRFU-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP CC1CC[NH+](C[C@H]2CCCN(CC[NH2+]C(C)(C)C)C2)CC1 ZINC000414692798 278548430 /nfs/dbraw/zinc/54/84/30/278548430.db2.gz QNXARYXKPFSQSX-KRWDZBQOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000401045117 278612252 /nfs/dbraw/zinc/61/22/52/278612252.db2.gz VJMZGVZELUOXIL-GTDBDLECSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])c2ccccc2O1 ZINC000423160849 278925084 /nfs/dbraw/zinc/92/50/84/278925084.db2.gz QXTDEHVGMZURST-PAPYEOQZSA-N 2 0 260.381 2.616 20 0 CFADRP CCC[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349260 278944616 /nfs/dbraw/zinc/94/46/16/278944616.db2.gz VGIYNJWYTCTRAW-HOTGVXAUSA-N 2 0 261.413 2.902 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423146482 278981795 /nfs/dbraw/zinc/98/17/95/278981795.db2.gz PMGVCIRNBSBMDI-JCYILVPMSA-N 2 0 281.488 2.604 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(OC)CCCCC2)C1 ZINC000361570626 279036507 /nfs/dbraw/zinc/03/65/07/279036507.db2.gz DMUYWDGXWAORPC-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000294704627 279040945 /nfs/dbraw/zinc/04/09/45/279040945.db2.gz BBSMYVHOMCMIQS-JKIFEVAISA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423043067 279059931 /nfs/dbraw/zinc/05/99/31/279059931.db2.gz NEWGWQFUZSLBJF-KLHDSHLOSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374072255 279093808 /nfs/dbraw/zinc/09/38/08/279093808.db2.gz OEHRGPJAXMJWBF-WMZOPIPTSA-N 2 0 295.515 2.769 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124763 279094259 /nfs/dbraw/zinc/09/42/59/279094259.db2.gz NGYGSYJQQWQPLC-XIRDDKMYSA-N 2 0 282.472 2.887 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000338308113 279094464 /nfs/dbraw/zinc/09/44/64/279094464.db2.gz QRKKTLFSYATZEM-MRXNPFEDSA-N 2 0 268.445 2.611 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000365056909 279099607 /nfs/dbraw/zinc/09/96/07/279099607.db2.gz XASZJZQSSXRGSC-GVDBMIGSSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348696082 288105471 /nfs/dbraw/zinc/10/54/71/288105471.db2.gz LEOQVDOMHIHJNN-GQYKCQBRSA-N 2 0 264.335 2.646 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422839828 279121018 /nfs/dbraw/zinc/12/10/18/279121018.db2.gz RMQPCVKEIZMWNC-ULQDDVLXSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]1c2ccccc2CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420298854 279134324 /nfs/dbraw/zinc/13/43/24/279134324.db2.gz ICTCFANQHPIDLX-CABCVRRESA-N 2 0 258.409 2.995 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000119930482 279137493 /nfs/dbraw/zinc/13/74/93/279137493.db2.gz XRXTWBNLHCEZHE-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@]1(C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC[NH2+]C1 ZINC000261681898 279159233 /nfs/dbraw/zinc/15/92/33/279159233.db2.gz AILKCSKSYLLSCA-MRXNPFEDSA-N 2 0 256.393 2.533 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422726707 279165527 /nfs/dbraw/zinc/16/55/27/279165527.db2.gz AEWCTRYMOVPGKB-BPQIPLTHSA-N 2 0 289.467 2.657 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000414796791 279176506 /nfs/dbraw/zinc/17/65/06/279176506.db2.gz YHOMGMCGRXZEEK-NRSFXHEJSA-N 2 0 270.420 2.791 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000423136405 279255661 /nfs/dbraw/zinc/25/56/61/279255661.db2.gz YXGMIEXMDUDIPC-JRPNMDOOSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423455666 279256623 /nfs/dbraw/zinc/25/66/23/279256623.db2.gz MXJGGRPUXADTJT-UEKVPHQBSA-N 2 0 250.361 2.776 20 0 CFADRP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423310679 279272421 /nfs/dbraw/zinc/27/24/21/279272421.db2.gz ARBWDWMJGSSLKC-LLVKDONJSA-N 2 0 286.341 2.836 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425944687 279275402 /nfs/dbraw/zinc/27/54/02/279275402.db2.gz NYTUBQWZVUNDQG-UONOGXRCSA-N 2 0 288.439 2.671 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)c1ccccc1 ZINC000156130610 279350055 /nfs/dbraw/zinc/35/00/55/279350055.db2.gz YKZIRCJKNAPMQB-ARFHVFGLSA-N 2 0 275.440 2.584 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C)C[NH+](C)C ZINC000425944948 279350940 /nfs/dbraw/zinc/35/09/40/279350940.db2.gz ZLGXBSBPGNWDCY-MUIFIZLQSA-N 2 0 260.425 2.966 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449131076 279359581 /nfs/dbraw/zinc/35/95/81/279359581.db2.gz JXHDPRCUIMHCDI-IRXDYDNUSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCCCC1 ZINC000093516712 279367155 /nfs/dbraw/zinc/36/71/55/279367155.db2.gz MKLFGBCINPAICH-CABCVRRESA-N 2 0 268.445 2.582 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000423073805 279367283 /nfs/dbraw/zinc/36/72/83/279367283.db2.gz JWLUFNDGEBSVRH-RYRKJORJSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C1CCOCC1 ZINC000261570321 279367751 /nfs/dbraw/zinc/36/77/51/279367751.db2.gz ONYBAPVFFAGBJW-FMKPAKJESA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422907781 279368742 /nfs/dbraw/zinc/36/87/42/279368742.db2.gz XNGULXDIVZUAMM-KNPMLCFXSA-N 2 0 260.381 2.678 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(COC)CCC2)C[C@@H]1C ZINC000361324049 279397434 /nfs/dbraw/zinc/39/74/34/279397434.db2.gz LGNSIDZRPPZNQC-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423083160 279401928 /nfs/dbraw/zinc/40/19/28/279401928.db2.gz FKDWMMFOPPDAKP-HRCADAONSA-N 2 0 275.440 2.618 20 0 CFADRP C[C@@H]1C[N@@H+](C2CCC3(CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000335348880 288133171 /nfs/dbraw/zinc/13/31/71/288133171.db2.gz MFKCFTRBKKVNCN-GDBMZVCRSA-N 2 0 280.456 2.643 20 0 CFADRP C[C@H]([NH2+]C1CCc2ccccc2CC1)[C@@H]1CCC[NH2+]C1 ZINC000335178835 279458002 /nfs/dbraw/zinc/45/80/02/279458002.db2.gz LMIONHNNCPTSOI-WMLDXEAASA-N 2 0 272.436 2.912 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCC2)C[C@@H]1C ZINC000414843423 279594170 /nfs/dbraw/zinc/59/41/70/279594170.db2.gz OAQRLXJASJBCKD-SOUVJXGZSA-N 2 0 296.455 2.606 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000334865377 279670982 /nfs/dbraw/zinc/67/09/82/279670982.db2.gz UAYYYARCKJWSCC-SJORKVTESA-N 2 0 292.398 2.544 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000423046780 279708116 /nfs/dbraw/zinc/70/81/16/279708116.db2.gz FSWDPCAFTKCJHD-CVSAEHQPSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC2(C)C)C[C@@H](C)O1 ZINC000342692440 288160023 /nfs/dbraw/zinc/16/00/23/288160023.db2.gz YTMAQEXORIRSPM-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000085380167 279814587 /nfs/dbraw/zinc/81/45/87/279814587.db2.gz RGDBJYCUTTUFQT-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423530943 279823622 /nfs/dbraw/zinc/82/36/22/279823622.db2.gz RWZXOMOZFXRWID-WFWUXJIDSA-N 2 0 250.430 2.774 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423257384 279905820 /nfs/dbraw/zinc/90/58/20/279905820.db2.gz JCRMWRPVRWPISS-CZUORRHYSA-N 2 0 279.403 2.897 20 0 CFADRP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335016690 280079405 /nfs/dbraw/zinc/07/94/05/280079405.db2.gz GFAZXVLXISGULE-ZALWAFLZSA-N 2 0 264.344 2.507 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1cccnc1 ZINC000415083687 280253432 /nfs/dbraw/zinc/25/34/32/280253432.db2.gz NLGSXYLEYYXFEG-VYDXJSESSA-N 2 0 275.440 2.799 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Nc1ccccc1 ZINC000422979149 280254423 /nfs/dbraw/zinc/25/44/23/280254423.db2.gz LMCCAUNIAZGVSR-UAGQMJEPSA-N 2 0 275.440 2.840 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423388776 280268774 /nfs/dbraw/zinc/26/87/74/280268774.db2.gz IUAZWZHVUVMYPP-XYPHTWIQSA-N 2 0 278.415 2.980 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422907537 280278320 /nfs/dbraw/zinc/27/83/20/280278320.db2.gz LNUFVWWVYHEPNM-OWCLPIDISA-N 2 0 281.488 2.604 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000337477505 280422888 /nfs/dbraw/zinc/42/28/88/280422888.db2.gz PKJCHOVGFSQSJL-BBWFWOEESA-N 2 0 292.467 2.677 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424387757 280493486 /nfs/dbraw/zinc/49/34/86/280493486.db2.gz YSDNHYNDLDMNDF-HEBKJCSOSA-N 2 0 284.403 2.630 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000127070097 280660525 /nfs/dbraw/zinc/66/05/25/280660525.db2.gz VQYIBAZFORZIDF-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](C)COC)cc1 ZINC000131707573 280722117 /nfs/dbraw/zinc/72/21/17/280722117.db2.gz OVYPYHBQFLCNGA-HNNXBMFYSA-N 2 0 278.440 2.901 20 0 CFADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185894612 280840968 /nfs/dbraw/zinc/84/09/68/280840968.db2.gz LZHXUPFKHGKOOP-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CCCCC1 ZINC000186572901 280848275 /nfs/dbraw/zinc/84/82/75/280848275.db2.gz ZIWSDDQHZUCCQD-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1cccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186605992 280849312 /nfs/dbraw/zinc/84/93/12/280849312.db2.gz RHVFNCKOYYOKGV-SJORKVTESA-N 2 0 289.467 2.672 20 0 CFADRP CC1(C)CC([NH2+][C@H]2CCC23CCOCC3)CC(C)(C)[NH2+]1 ZINC000374291318 280913523 /nfs/dbraw/zinc/91/35/23/280913523.db2.gz JURNGOBWOLITFE-AWEZNQCLSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](CC(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC000246194297 280975917 /nfs/dbraw/zinc/97/59/17/280975917.db2.gz DMAGKZGUOQOSMG-IPYPFGDCSA-N 2 0 289.423 2.671 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246921447 281000878 /nfs/dbraw/zinc/00/08/78/281000878.db2.gz GJZCMINTXKZBDU-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246944100 281001843 /nfs/dbraw/zinc/00/18/43/281001843.db2.gz HTVJDTPEOFHKQJ-BZSNNMDCSA-N 2 0 295.515 2.818 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000247037200 281003800 /nfs/dbraw/zinc/00/38/00/281003800.db2.gz NYTBLYWWAMSQKC-IXDOHACOSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000247196780 281007252 /nfs/dbraw/zinc/00/72/52/281007252.db2.gz USZRBKFJHVRMGC-IRXDYDNUSA-N 2 0 283.504 2.815 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2sc(C)nc2C)[C@@H](C)C1 ZINC000247934372 281017682 /nfs/dbraw/zinc/01/76/82/281017682.db2.gz CIKDFGIKDRABDA-FZMZJTMJSA-N 2 0 281.469 2.622 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248730008 281033369 /nfs/dbraw/zinc/03/33/69/281033369.db2.gz JWLKTJJDVLVOAS-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000248853134 281037347 /nfs/dbraw/zinc/03/73/47/281037347.db2.gz KFKWNHJMFDGFGH-RBSFLKMASA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)c1ccc(CC[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000259163959 281111431 /nfs/dbraw/zinc/11/14/31/281111431.db2.gz YIFADORMFNHSML-MRXNPFEDSA-N 2 0 260.425 2.942 20 0 CFADRP c1sc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000259056040 281111466 /nfs/dbraw/zinc/11/14/66/281111466.db2.gz QPPTVIPHQMNGDS-GFCCVEGCSA-N 2 0 260.406 2.991 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268796432 281116872 /nfs/dbraw/zinc/11/68/72/281116872.db2.gz ILSGXSVOMRUQCE-YCPHGPKFSA-N 2 0 276.424 2.934 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H](C)C2 ZINC000423563272 281117222 /nfs/dbraw/zinc/11/72/22/281117222.db2.gz RHXYBWIMADGSPD-CXAGYDPISA-N 2 0 258.409 2.960 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000268925897 281118217 /nfs/dbraw/zinc/11/82/17/281118217.db2.gz PYWQDDTZCZBWPD-INMHGKMJSA-N 2 0 276.424 2.664 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000296259437 281142382 /nfs/dbraw/zinc/14/23/82/281142382.db2.gz DFEBQTNSAOAYMF-UOVPBQLFSA-N 2 0 290.451 2.562 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420373560 281220057 /nfs/dbraw/zinc/22/00/57/281220057.db2.gz MMSOWKNPKLVBGV-GHMZBOCLSA-N 2 0 270.323 2.548 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420372005 281220128 /nfs/dbraw/zinc/22/01/28/281220128.db2.gz XKWJPMNXOVYHDV-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422927797 281222384 /nfs/dbraw/zinc/22/23/84/281222384.db2.gz HEGWLAJLWFWOKP-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422929982 281222640 /nfs/dbraw/zinc/22/26/40/281222640.db2.gz APIJDBPSCDHNNM-SJLPKXTDSA-N 2 0 298.430 2.922 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423009724 281223150 /nfs/dbraw/zinc/22/31/50/281223150.db2.gz DNXTUUVHFMKSBG-OFQRWUPVSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000423011354 281223358 /nfs/dbraw/zinc/22/33/58/281223358.db2.gz ISQJMYURKMFCQI-KDOFPFPSSA-N 2 0 298.434 2.565 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000423772724 281224710 /nfs/dbraw/zinc/22/47/10/281224710.db2.gz LKXCRPJCOHLLGH-HRCADAONSA-N 2 0 297.487 2.521 20 0 CFADRP CC[C@H]1C[C@@H](C)C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500128290 281227221 /nfs/dbraw/zinc/22/72/21/281227221.db2.gz XXCRVKNJZKSDPT-SJORKVTESA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000424374275 281227426 /nfs/dbraw/zinc/22/74/26/281227426.db2.gz KTBPZEKBERYUCD-IAOVAPTHSA-N 2 0 284.407 2.793 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000435393126 281234912 /nfs/dbraw/zinc/23/49/12/281234912.db2.gz ZDONXOBPDVYWSS-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CCCCC[C@H]1[NH3+])C2 ZINC000423142758 281299752 /nfs/dbraw/zinc/29/97/52/281299752.db2.gz VUEMBPSZFMRTRA-OAGGEKHMSA-N 2 0 274.408 2.548 20 0 CFADRP CCC(CC)(C[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC000516233181 281302069 /nfs/dbraw/zinc/30/20/69/281302069.db2.gz ZOFBKHYLQJDUMQ-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000517557034 281307311 /nfs/dbraw/zinc/30/73/11/281307311.db2.gz VCEZWLBIYYJMAL-WCVJEAGWSA-N 2 0 290.451 2.502 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000520570252 281310078 /nfs/dbraw/zinc/31/00/78/281310078.db2.gz YQFLWHNZVLSNMS-JKSUJKDBSA-N 2 0 270.461 2.638 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000527361182 281330693 /nfs/dbraw/zinc/33/06/93/281330693.db2.gz QNCHBQOFHZUCHW-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccn1 ZINC000527654897 281337117 /nfs/dbraw/zinc/33/71/17/281337117.db2.gz WILAUKUIQWAMMP-INIZCTEOSA-N 2 0 261.413 2.600 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000335758125 281393267 /nfs/dbraw/zinc/39/32/67/281393267.db2.gz XTZBRUPYHKGEHL-HOTGVXAUSA-N 2 0 258.409 2.784 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000333273749 281417282 /nfs/dbraw/zinc/41/72/82/281417282.db2.gz KZPVZZOKHOCFID-LSDHHAIUSA-N 2 0 273.424 2.887 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000531706582 281439156 /nfs/dbraw/zinc/43/91/56/281439156.db2.gz HSBIMXTWUBGTRZ-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCCO[C@H]21 ZINC000423415876 281520644 /nfs/dbraw/zinc/52/06/44/281520644.db2.gz BMGIRLNFLWHGSF-RFBLXINOSA-N 2 0 280.456 2.545 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000542682995 281631073 /nfs/dbraw/zinc/63/10/73/281631073.db2.gz YVKBXUHDGVYFGM-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccn(C)n1 ZINC000544579934 281668989 /nfs/dbraw/zinc/66/89/89/281668989.db2.gz YHVUXZJXVSCAGU-LSDHHAIUSA-N 2 0 280.460 2.971 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000552246006 281858976 /nfs/dbraw/zinc/85/89/76/281858976.db2.gz FEUQZWCZATUECG-BHYGNILZSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000401113995 281881613 /nfs/dbraw/zinc/88/16/13/281881613.db2.gz HKIVHDWNDHCIHV-IGHBBLSQSA-N 2 0 279.453 2.799 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000554444881 281892169 /nfs/dbraw/zinc/89/21/69/281892169.db2.gz YWEBCIMMLOLRJS-WMZOPIPTSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000556938178 281954042 /nfs/dbraw/zinc/95/40/42/281954042.db2.gz AEWNMLYXQIVKCY-LBPRGKRZSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CCCC[NH+](C)C)c1 ZINC000559814531 282010974 /nfs/dbraw/zinc/01/09/74/282010974.db2.gz PIKHRTLYWSMGQI-UHFFFAOYSA-N 2 0 291.439 2.727 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C12CCC2 ZINC000560288103 282020479 /nfs/dbraw/zinc/02/04/79/282020479.db2.gz TUXFEKMFZSUUNJ-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H](C)C(C)(C)CC)CC1 ZINC000560341413 282021997 /nfs/dbraw/zinc/02/19/97/282021997.db2.gz JWWGXIDILDUYNO-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1nc2c(s1)[C@@H]([N@H+](C)CC1CC[NH2+]CC1)CCC2 ZINC000178981324 282028179 /nfs/dbraw/zinc/02/81/79/282028179.db2.gz LONLSWIQVXXIJP-AWEZNQCLSA-N 2 0 279.453 2.760 20 0 CFADRP CC(C)C[NH+]1CCC(NCc2ccc3c(n2)CCC3)CC1 ZINC000560577430 282035127 /nfs/dbraw/zinc/03/51/27/282035127.db2.gz XEUHSOVSNCPYRI-UHFFFAOYSA-N 2 0 287.451 2.780 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000335486553 282036045 /nfs/dbraw/zinc/03/60/45/282036045.db2.gz HNGHHLZLENZJGF-SWLSCSKDSA-N 2 0 279.453 2.808 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000513756075 282045950 /nfs/dbraw/zinc/04/59/50/282045950.db2.gz WFOGCKMXANAQEJ-IXDOHACOSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000420252435 282073724 /nfs/dbraw/zinc/07/37/24/282073724.db2.gz AXSATQJVIVXWJN-CABCVRRESA-N 2 0 281.403 2.897 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000278729577 282075414 /nfs/dbraw/zinc/07/54/14/282075414.db2.gz KTXIEVZCGPHCDT-GASCZTMLSA-N 2 0 281.403 2.849 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000250361163 289060538 /nfs/dbraw/zinc/06/05/38/289060538.db2.gz TXQOVTXZSKAIIF-GVDBMIGSSA-N 2 0 293.499 2.761 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCCCC1 ZINC000513756076 289062390 /nfs/dbraw/zinc/06/23/90/289062390.db2.gz WFOGCKMXANAQEJ-ULQDDVLXSA-N 2 0 293.499 2.713 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000269038325 289111946 /nfs/dbraw/zinc/11/19/46/289111946.db2.gz SUBBMFSMPAOACN-HNNXBMFYSA-N 2 0 262.397 2.832 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000422737325 289366000 /nfs/dbraw/zinc/36/60/00/289366000.db2.gz XIEVRQBGXCZVHL-BHYGNILZSA-N 2 0 293.430 2.536 20 0 CFADRP C[C@H](CC1CCCCC1)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489965181 289446713 /nfs/dbraw/zinc/44/67/13/289446713.db2.gz LJFPIGGIZSVADD-AEFFLSMTSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423431146 289460772 /nfs/dbraw/zinc/46/07/72/289460772.db2.gz LJPMPHSBXZYETM-KFWWJZLASA-N 2 0 278.444 2.553 20 0 CFADRP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423055709 289583425 /nfs/dbraw/zinc/58/34/25/289583425.db2.gz WHZYRMQINGJWSR-ZTFGCOKTSA-N 2 0 287.451 2.985 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000356834113 289874522 /nfs/dbraw/zinc/87/45/22/289874522.db2.gz FWTDLCQPEOSWFP-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154374035 289892896 /nfs/dbraw/zinc/89/28/96/289892896.db2.gz XBNDAUDNYRNLPH-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000414845492 290009299 /nfs/dbraw/zinc/00/92/99/290009299.db2.gz DOWUNSBNZKIZBL-DRPJVOAASA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699553 290018134 /nfs/dbraw/zinc/01/81/34/290018134.db2.gz CISDZOYYRVNYSW-KBPBESRZSA-N 2 0 297.240 2.851 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000562469605 290046209 /nfs/dbraw/zinc/04/62/09/290046209.db2.gz HFFMYOVDQUXLQG-KRWDZBQOSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)[C@H]2CCCC[C@@H]12 ZINC000562646524 290062596 /nfs/dbraw/zinc/06/25/96/290062596.db2.gz ODQKWDWDBDEQCU-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000562744352 290072835 /nfs/dbraw/zinc/07/28/35/290072835.db2.gz ZTGPBUAYZITSFE-HNNXBMFYSA-N 2 0 298.434 2.864 20 0 CFADRP c1nc(C2CC2)sc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000562748408 290073295 /nfs/dbraw/zinc/07/32/95/290073295.db2.gz PTJYMHCXMVPVOM-LBPRGKRZSA-N 2 0 265.426 2.642 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(OC(F)F)c1 ZINC000562960614 290086323 /nfs/dbraw/zinc/08/63/23/290086323.db2.gz RIEAADOOIUCXHE-NXEZZACHSA-N 2 0 288.338 2.512 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000562960405 290086559 /nfs/dbraw/zinc/08/65/59/290086559.db2.gz SCHKVMDDFVBWNU-STQMWFEESA-N 2 0 293.480 2.672 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000562960378 290086749 /nfs/dbraw/zinc/08/67/49/290086749.db2.gz NJSMEWFVQIWKDL-LLVKDONJSA-N 2 0 259.397 2.690 20 0 CFADRP COc1ccc(C[N@H+](C)CCC[NH3+])cc1OCCC(C)C ZINC000563129830 290106644 /nfs/dbraw/zinc/10/66/44/290106644.db2.gz POPGKWBGFQRUEF-UHFFFAOYSA-N 2 0 294.439 2.901 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563422695 290148677 /nfs/dbraw/zinc/14/86/77/290148677.db2.gz AOKLQCMAHSUWDO-BZUAXINKSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000563425404 290149401 /nfs/dbraw/zinc/14/94/01/290149401.db2.gz PPIURPJFELPBFA-RRFJBIMHSA-N 2 0 280.387 2.843 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000563427528 290149710 /nfs/dbraw/zinc/14/97/10/290149710.db2.gz LKJPUYJSOCOHRB-OLZOCXBDSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CCN1CCOc1ccc(Cl)c(F)c1 ZINC000563630698 290165174 /nfs/dbraw/zinc/16/51/74/290165174.db2.gz WIILVGGHGPYJFZ-MNOVXSKESA-N 2 0 286.778 2.670 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000563667859 290167579 /nfs/dbraw/zinc/16/75/79/290167579.db2.gz VJXDIBASBREIDL-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000563700724 290169089 /nfs/dbraw/zinc/16/90/89/290169089.db2.gz LZMPNQUFGKGEMH-GDBMZVCRSA-N 2 0 271.408 2.818 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000563701971 290169211 /nfs/dbraw/zinc/16/92/11/290169211.db2.gz ZMLSWTHXYQMTTA-AVRGHOLYSA-N 2 0 259.397 2.688 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2F)CC1 ZINC000563795931 290174789 /nfs/dbraw/zinc/17/47/89/290174789.db2.gz APGUKYQKBUNYMF-HAQNSBGRSA-N 2 0 268.351 2.820 20 0 CFADRP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000564530327 290213272 /nfs/dbraw/zinc/21/32/72/290213272.db2.gz CYJARUCQOQNSPI-ZDUSSCGKSA-N 2 0 272.383 2.886 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc21 ZINC000564791781 290232680 /nfs/dbraw/zinc/23/26/80/290232680.db2.gz FAIASDWNPWXQKK-BRWVUGGUSA-N 2 0 298.434 2.584 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000564822200 290235899 /nfs/dbraw/zinc/23/58/99/290235899.db2.gz FERCTHGDKHAPQO-HNNXBMFYSA-N 2 0 250.386 2.736 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000564827949 290238134 /nfs/dbraw/zinc/23/81/34/290238134.db2.gz CWWRRXWZGDJDDD-MELADBBJSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000564973416 290254208 /nfs/dbraw/zinc/25/42/08/290254208.db2.gz JLVOIBZBYMAMGI-INMHGKMJSA-N 2 0 274.408 2.528 20 0 CFADRP C[C@H](c1cccnc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198030 290270018 /nfs/dbraw/zinc/27/00/18/290270018.db2.gz CSMSLBMIZRKXJQ-CZUORRHYSA-N 2 0 259.397 2.607 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000565227269 290285605 /nfs/dbraw/zinc/28/56/05/290285605.db2.gz UCHKSWLCGDAFMC-JKSUJKDBSA-N 2 0 276.424 2.932 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000565357455 290296578 /nfs/dbraw/zinc/29/65/78/290296578.db2.gz YVLQZNWSJOBDHD-CJNGLKHVSA-N 2 0 274.408 2.755 20 0 CFADRP CC(C)(C)c1cc(CN2CCC(CC[NH3+])CC2)no1 ZINC000565603211 290312894 /nfs/dbraw/zinc/31/28/94/290312894.db2.gz IURGSNIIXUGEFX-UHFFFAOYSA-N 2 0 265.401 2.533 20 0 CFADRP C(CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)CC[NH+]1CCCC1 ZINC000565730190 290320361 /nfs/dbraw/zinc/32/03/61/290320361.db2.gz LYWQUOJOSBIAOU-IXDOHACOSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)[NH2+]CCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000566088544 290346633 /nfs/dbraw/zinc/34/66/33/290346633.db2.gz ZLSCRTULXNJVAR-MSOLQXFVSA-N 2 0 289.467 2.800 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1 ZINC000566088931 290347179 /nfs/dbraw/zinc/34/71/79/290347179.db2.gz NQSHZBRUCUVHCG-CYBMUJFWSA-N 2 0 262.397 2.654 20 0 CFADRP c1cc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000566242594 290361325 /nfs/dbraw/zinc/36/13/25/290361325.db2.gz CSAFDUYGHZORKU-HNNXBMFYSA-N 2 0 264.438 2.756 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245856 290362344 /nfs/dbraw/zinc/36/23/44/290362344.db2.gz WMGLURMMPVXFQZ-ZDUSSCGKSA-N 2 0 269.392 2.954 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423173956 292804434 /nfs/dbraw/zinc/80/44/34/292804434.db2.gz ARJXTHKGQVAPEY-CQSZACIVSA-N 2 0 270.461 2.936 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000566316328 290370822 /nfs/dbraw/zinc/37/08/22/290370822.db2.gz QAZVRAILFPCVAK-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1F ZINC000566481186 290392605 /nfs/dbraw/zinc/39/26/05/290392605.db2.gz AZSLIXMKPVDHCG-MELADBBJSA-N 2 0 280.387 2.843 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567646216 290481065 /nfs/dbraw/zinc/48/10/65/290481065.db2.gz WDIFUEDVPJETDR-MCIONIFRSA-N 2 0 250.386 2.578 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000567681584 290483733 /nfs/dbraw/zinc/48/37/33/290483733.db2.gz WKBMUQBYASZEIM-SFHVURJKSA-N 2 0 290.451 2.923 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC1(O)CCC1 ZINC000567680129 290483754 /nfs/dbraw/zinc/48/37/54/290483754.db2.gz PWEOHABOZZRMEZ-UHFFFAOYSA-N 2 0 276.424 2.533 20 0 CFADRP COC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000423239872 293149859 /nfs/dbraw/zinc/14/98/59/293149859.db2.gz BTWKRVMLUGOWIT-DOMZBBRYSA-N 2 0 282.815 2.617 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000093215317 293244842 /nfs/dbraw/zinc/24/48/42/293244842.db2.gz XYKWNKSXXIEBPS-ZMLRMANQSA-N 2 0 253.415 2.680 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000422979956 293261448 /nfs/dbraw/zinc/26/14/48/293261448.db2.gz NYVMAGQOZXXNKD-YVEFUNNKSA-N 2 0 297.402 2.892 20 0 CFADRP COC[C@]1(C[NH2+]C(CC(C)C)CC(C)C)CCC[NH2+]1 ZINC000423432887 293292884 /nfs/dbraw/zinc/29/28/84/293292884.db2.gz RDIBASNZTAHAIB-MRXNPFEDSA-N 2 0 270.461 2.805 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000361386989 294332960 /nfs/dbraw/zinc/33/29/60/294332960.db2.gz RQGZGFFQOKVZQY-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423449912 294484238 /nfs/dbraw/zinc/48/42/38/294484238.db2.gz WXOOQRHJWFIFFZ-RUGDWHBFSA-N 2 0 288.435 2.740 20 0 CFADRP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252702788 294662498 /nfs/dbraw/zinc/66/24/98/294662498.db2.gz IQKPDHKDIPYSRZ-IJLUTSLNSA-N 2 0 264.335 2.839 20 0 CFADRP F[C@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335170852 294731511 /nfs/dbraw/zinc/73/15/11/294731511.db2.gz QRMOKGJYVHKPLL-JSGCOSHPSA-N 2 0 263.360 2.531 20 0 CFADRP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903773 782062304 /nfs/dbraw/zinc/06/23/04/782062304.db2.gz CKJSCSIHYIBWQC-OAHLLOKOSA-N 2 0 299.503 2.591 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000423324808 295207922 /nfs/dbraw/zinc/20/79/22/295207922.db2.gz IZUZKTUZSSWIFG-WBMJQRKESA-N 2 0 280.387 2.875 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000085133883 295212452 /nfs/dbraw/zinc/21/24/52/295212452.db2.gz VWRAEYPBBIWTQL-MMVSWEMESA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000423335742 295228943 /nfs/dbraw/zinc/22/89/43/295228943.db2.gz UELVFJANRCAIGV-CVEARBPZSA-N 2 0 280.387 2.764 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423326639 295229062 /nfs/dbraw/zinc/22/90/62/295229062.db2.gz JLDUNYZSCJICDJ-CYBMUJFWSA-N 2 0 288.313 2.901 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423332951 295229117 /nfs/dbraw/zinc/22/91/17/295229117.db2.gz ROSXEMOSXAGMCP-INIZCTEOSA-N 2 0 274.408 2.718 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423181610 295231202 /nfs/dbraw/zinc/23/12/02/295231202.db2.gz GFSMWLJKMAYAGV-OAHLLOKOSA-N 2 0 250.361 2.995 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423182740 295231618 /nfs/dbraw/zinc/23/16/18/295231618.db2.gz GYYNZYPDSHOIDM-ZDUSSCGKSA-N 2 0 283.213 2.765 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000089140694 295248911 /nfs/dbraw/zinc/24/89/11/295248911.db2.gz ROINOBKCHCCIRL-JSGCOSHPSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422819893 295267354 /nfs/dbraw/zinc/26/73/54/295267354.db2.gz JGCNRDVRESMBGR-QAPCUYQASA-N 2 0 293.499 2.891 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000089139937 295267390 /nfs/dbraw/zinc/26/73/90/295267390.db2.gz NPANUYCOYWZMGS-CJNGLKHVSA-N 2 0 271.408 2.818 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335222183 295333074 /nfs/dbraw/zinc/33/30/74/295333074.db2.gz XPDNOVMAJQCWFA-HOTGVXAUSA-N 2 0 269.392 2.984 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086402208 295338707 /nfs/dbraw/zinc/33/87/07/295338707.db2.gz PCMVEXLSLLHCOE-STQMWFEESA-N 2 0 283.213 2.809 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)c2ccccc21 ZINC000423113253 295342986 /nfs/dbraw/zinc/34/29/86/295342986.db2.gz KRPVDNYVYFWSJU-REWJHTLYSA-N 2 0 282.334 2.881 20 0 CFADRP COc1ccccc1/C=C\C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347089429 295347982 /nfs/dbraw/zinc/34/79/82/295347982.db2.gz DXQPTQFQHMLTOI-BRLPQQTGSA-N 2 0 274.408 2.768 20 0 CFADRP COc1ccccc1/C=C\C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430908362 295348023 /nfs/dbraw/zinc/34/80/23/295348023.db2.gz IJGIZNYMNNRQOE-XQRVVYSFSA-N 2 0 286.419 2.784 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414689215 295359735 /nfs/dbraw/zinc/35/97/35/295359735.db2.gz FOJMCYXECFUIID-GJZGRUSLSA-N 2 0 276.424 2.558 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414689213 295359915 /nfs/dbraw/zinc/35/99/15/295359915.db2.gz FOJMCYXECFUIID-CABCVRRESA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261563064 297107743 /nfs/dbraw/zinc/10/77/43/297107743.db2.gz GUVBSNRJDCUYMI-KKOKHZNYSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000134092373 297227767 /nfs/dbraw/zinc/22/77/67/297227767.db2.gz DQEXJYRBSBARNN-WCXIOVBPSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@H]1C ZINC000495079770 297283704 /nfs/dbraw/zinc/28/37/04/297283704.db2.gz BAAUMMRYJSEVHU-IXDOHACOSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCOc3ccccc32)CCC[NH2+]C1 ZINC000423335312 297900155 /nfs/dbraw/zinc/90/01/55/297900155.db2.gz RNLYUPHSQMOUIF-NVXWUHKLSA-N 2 0 274.408 2.880 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000423173795 298876918 /nfs/dbraw/zinc/87/69/18/298876918.db2.gz ABQCLTQXFLGFKF-LEOABGAYSA-N 2 0 268.445 2.700 20 0 CFADRP Cc1c([C@H](C)[NH2+]C2CCC([NH3+])CC2)cnn1C(C)C ZINC000423239042 301003331 /nfs/dbraw/zinc/00/33/31/301003331.db2.gz VWGBRODPWOHZND-XGNXJENSSA-N 2 0 264.417 2.693 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cnn1C(C)C ZINC000423321540 301003360 /nfs/dbraw/zinc/00/33/60/301003360.db2.gz GIQPZKMOOASERD-ZDUSSCGKSA-N 2 0 278.444 2.813 20 0 CFADRP Cc1ccc([C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775203 301800169 /nfs/dbraw/zinc/80/01/69/301800169.db2.gz ANSFONZVBVINMG-NJAFHUGGSA-N 2 0 289.467 2.718 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCCO2 ZINC000423387733 301912089 /nfs/dbraw/zinc/91/20/89/301912089.db2.gz IAUHWPGYEYVHGZ-VNQPRFMTSA-N 2 0 274.408 2.796 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000415112340 302093859 /nfs/dbraw/zinc/09/38/59/302093859.db2.gz RTFBBWLBIXVLDR-HNNXBMFYSA-N 2 0 258.409 2.616 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423122817 303406811 /nfs/dbraw/zinc/40/68/11/303406811.db2.gz DEJUHCHMPDCPPC-AVGNSLFASA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334872870 303420561 /nfs/dbraw/zinc/42/05/61/303420561.db2.gz NQLROKGXYDBZLG-ZBFHGGJFSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123238 303467106 /nfs/dbraw/zinc/46/71/06/303467106.db2.gz KSQJSXNWWJBAGY-DDHJBXDOSA-N 2 0 264.335 2.825 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256116 304858404 /nfs/dbraw/zinc/85/84/04/304858404.db2.gz DNYOBLNQSHGRKS-GDBMZVCRSA-N 2 0 274.408 2.880 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1c(C)nn(C)c1C ZINC000162477026 322365441 /nfs/dbraw/zinc/36/54/41/322365441.db2.gz REBQXUNDLWFTOS-OAHLLOKOSA-N 2 0 278.444 2.564 20 0 CFADRP COCCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171499224 322407373 /nfs/dbraw/zinc/40/73/73/322407373.db2.gz MKHIFHPQQVVXDT-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000570200181 322519478 /nfs/dbraw/zinc/51/94/78/322519478.db2.gz QEHAITYDPRLBDO-OAHLLOKOSA-N 2 0 278.396 2.514 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000571313121 322579175 /nfs/dbraw/zinc/57/91/75/322579175.db2.gz UYKDNXPUCQGATL-KRWDZBQOSA-N 2 0 274.408 2.736 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OC(F)F ZINC000571431290 322583216 /nfs/dbraw/zinc/58/32/16/322583216.db2.gz PVHSLMVVUCDAEJ-ZJUUUORDSA-N 2 0 288.338 2.512 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccsc1 ZINC000571513935 322585865 /nfs/dbraw/zinc/58/58/65/322585865.db2.gz ZZDIGLULHWCYPL-INIZCTEOSA-N 2 0 295.496 2.816 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)OCCO2 ZINC000571762906 322595301 /nfs/dbraw/zinc/59/53/01/322595301.db2.gz RMPCYTUCAVZNJS-ZDUSSCGKSA-N 2 0 298.386 2.767 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000571862524 322598741 /nfs/dbraw/zinc/59/87/41/322598741.db2.gz HPNGPDJQTLWXKY-ZFWWWQNUSA-N 2 0 269.392 2.842 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CC1(C)C ZINC000572856250 322634922 /nfs/dbraw/zinc/63/49/22/322634922.db2.gz HKAPRZRCPDUQKN-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]([NH3+])c1ccccc1 ZINC000572969868 322639137 /nfs/dbraw/zinc/63/91/37/322639137.db2.gz CXJPLYKMBMEZIK-PVAVHDDUSA-N 2 0 275.440 2.587 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000574637307 322700140 /nfs/dbraw/zinc/70/01/40/322700140.db2.gz YVBIOBMXXCUWPM-QGZVFWFLSA-N 2 0 297.402 2.872 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000575038294 322715767 /nfs/dbraw/zinc/71/57/67/322715767.db2.gz LUKHDXTWARKPCO-MRXNPFEDSA-N 2 0 262.397 2.736 20 0 CFADRP COC[C@H](C)C[NH2+]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000187704717 324000693 /nfs/dbraw/zinc/00/06/93/324000693.db2.gz IAJWVLUZJLXAED-SOUVJXGZSA-N 2 0 270.461 2.615 20 0 CFADRP COC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000187769413 324002330 /nfs/dbraw/zinc/00/23/30/324002330.db2.gz INLSPTOBJYZILN-AWEZNQCLSA-N 2 0 296.480 2.832 20 0 CFADRP COC[C@H](C)C[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000188079098 324008166 /nfs/dbraw/zinc/00/81/66/324008166.db2.gz XBTBFGBEWKTVCM-OAHLLOKOSA-N 2 0 270.461 2.617 20 0 CFADRP COC[C@H](C)C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000188156813 324008968 /nfs/dbraw/zinc/00/89/68/324008968.db2.gz OAMNJJWANKPPBC-KLAILNCOSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@@H](C)C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000188156833 324009135 /nfs/dbraw/zinc/00/91/35/324009135.db2.gz OAMNJJWANKPPBC-GTPINHCMSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000191783681 324054211 /nfs/dbraw/zinc/05/42/11/324054211.db2.gz ISEXILVWWWRSIK-OAHLLOKOSA-N 2 0 270.461 2.734 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000345164793 324134571 /nfs/dbraw/zinc/13/45/71/324134571.db2.gz XULDLUGEFHOHAJ-HZPDHXFCSA-N 2 0 278.444 2.516 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CC2CCC1CC2 ZINC000382249712 324427307 /nfs/dbraw/zinc/42/73/07/324427307.db2.gz XATGFHCGCRVUMM-FKFRUQKQSA-N 2 0 250.430 2.790 20 0 CFADRP CSCC1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000385500065 324461911 /nfs/dbraw/zinc/46/19/11/324461911.db2.gz FGKFHBGUXMAWQV-IYXRBSQSSA-N 2 0 258.475 2.838 20 0 CFADRP COC(=O)c1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)oc1C ZINC000387224446 324489699 /nfs/dbraw/zinc/48/96/99/324489699.db2.gz LXAGMGBEDXXZPM-UHFFFAOYSA-N 2 0 296.411 2.585 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000387785442 324497693 /nfs/dbraw/zinc/49/76/93/324497693.db2.gz FCLLSGTWLXTAGV-YIDVYQOGSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000388941831 324511762 /nfs/dbraw/zinc/51/17/62/324511762.db2.gz DJJXOWLNUDKCON-WRQOLXDDSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])COCc1ccccc1 ZINC000389946271 324522392 /nfs/dbraw/zinc/52/23/92/324522392.db2.gz ULDKPFKSJNUYBR-NJAFHUGGSA-N 2 0 290.451 2.946 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCC1 ZINC000577771335 324780045 /nfs/dbraw/zinc/78/00/45/324780045.db2.gz GOQBNGHVHLNICV-ZNMIVQPWSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCC1 ZINC000577771334 324780362 /nfs/dbraw/zinc/78/03/62/324780362.db2.gz GOQBNGHVHLNICV-RRFJBIMHSA-N 2 0 250.430 2.887 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000578126539 324818741 /nfs/dbraw/zinc/81/87/41/324818741.db2.gz SXVOBAWLIMRMEE-MRXNPFEDSA-N 2 0 262.372 2.866 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)nc21 ZINC000578637764 324873696 /nfs/dbraw/zinc/87/36/96/324873696.db2.gz DPKPIFFAADTUSR-OCCSQVGLSA-N 2 0 287.407 2.656 20 0 CFADRP CC[C@H](CN(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000578679555 324878594 /nfs/dbraw/zinc/87/85/94/324878594.db2.gz INRHXNQNGRBKSN-QGZVFWFLSA-N 2 0 291.483 2.605 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000578867710 324896844 /nfs/dbraw/zinc/89/68/44/324896844.db2.gz ZFLBLNOBEXXOSE-OLZOCXBDSA-N 2 0 272.396 2.601 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000580037766 325001165 /nfs/dbraw/zinc/00/11/65/325001165.db2.gz LHXOJYMYYQIYEQ-CQSZACIVSA-N 2 0 293.455 2.936 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000580082082 325005454 /nfs/dbraw/zinc/00/54/54/325005454.db2.gz PDRQCKUCNNSKKK-UHFFFAOYSA-N 2 0 284.407 2.638 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000580311576 325024600 /nfs/dbraw/zinc/02/46/00/325024600.db2.gz MDZHNUMEXXUEFD-UHFFFAOYSA-N 2 0 272.396 2.521 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000580372511 325030100 /nfs/dbraw/zinc/03/01/00/325030100.db2.gz UHAQMERUCWKCPA-MSOLQXFVSA-N 2 0 272.436 2.864 20 0 CFADRP COCC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(F)cc1 ZINC000580638950 325052313 /nfs/dbraw/zinc/05/23/13/325052313.db2.gz ANPMAAPQAMUUEU-MRXNPFEDSA-N 2 0 282.403 2.881 20 0 CFADRP c1nc(-c2ccccc2)[nH]c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000580702133 325056983 /nfs/dbraw/zinc/05/69/83/325056983.db2.gz FNQYVLIEEQFCRQ-CQSZACIVSA-N 2 0 284.407 2.556 20 0 CFADRP COC[C@H](C)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000580812988 325066033 /nfs/dbraw/zinc/06/60/33/325066033.db2.gz SEEOBBRNBLWLCJ-GFCCVEGCSA-N 2 0 296.377 2.618 20 0 CFADRP F[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000581131671 325093733 /nfs/dbraw/zinc/09/37/33/325093733.db2.gz YLHNNWUMCYZHFF-ZFWWWQNUSA-N 2 0 254.393 2.731 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000581321814 325111664 /nfs/dbraw/zinc/11/16/64/325111664.db2.gz ZMBGVYWAQAWQGN-SJORKVTESA-N 2 0 288.435 2.594 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000581558351 325132334 /nfs/dbraw/zinc/13/23/34/325132334.db2.gz NIWQFZTYYCQFOL-AWEZNQCLSA-N 2 0 291.439 2.863 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C1 ZINC000581677921 325142981 /nfs/dbraw/zinc/14/29/81/325142981.db2.gz TWASDQHQZVZEKL-STQMWFEESA-N 2 0 284.350 2.690 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000582473967 325208039 /nfs/dbraw/zinc/20/80/39/325208039.db2.gz VBCIBHHDUZGYRE-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000582526246 325211825 /nfs/dbraw/zinc/21/18/25/325211825.db2.gz GZGHWOCPCKVWIM-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000582600261 325218021 /nfs/dbraw/zinc/21/80/21/325218021.db2.gz JWEXIEWEDNOIJB-QGZVFWFLSA-N 2 0 260.425 2.905 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000582660477 325223296 /nfs/dbraw/zinc/22/32/96/325223296.db2.gz YOCJYEUNOSNWBH-AQEOSJORSA-N 2 0 288.435 2.841 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CC2Cc3ccccc3C2)CC1 ZINC000582996983 325250794 /nfs/dbraw/zinc/25/07/94/325250794.db2.gz XXRJJVYGVBXWQM-SFHVURJKSA-N 2 0 272.436 2.818 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000583392007 325284300 /nfs/dbraw/zinc/28/43/00/325284300.db2.gz QPABLBBRSANPFX-BZUAXINKSA-N 2 0 295.496 2.991 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000583415755 325284941 /nfs/dbraw/zinc/28/49/41/325284941.db2.gz HAABKTUIKIUNFA-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000583450826 325288974 /nfs/dbraw/zinc/28/89/74/325288974.db2.gz BKYSVSPVQABIKZ-RRFJBIMHSA-N 2 0 282.815 2.887 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CCCC1CCCCC1 ZINC000583591620 325298289 /nfs/dbraw/zinc/29/82/89/325298289.db2.gz XYUWQOCQUXVEBP-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583822893 325313010 /nfs/dbraw/zinc/31/30/10/325313010.db2.gz BDXBERUNQJAMTG-PMPSAXMXSA-N 2 0 281.488 2.747 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583822890 325313026 /nfs/dbraw/zinc/31/30/26/325313026.db2.gz BDXBERUNQJAMTG-BZUAXINKSA-N 2 0 281.488 2.747 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584004816 325324715 /nfs/dbraw/zinc/32/47/15/325324715.db2.gz WFXGLKICSVKFNH-YIYPIFLZSA-N 2 0 256.459 2.910 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000584107176 325331208 /nfs/dbraw/zinc/33/12/08/325331208.db2.gz MGWZPRIIVQINHM-AWEZNQCLSA-N 2 0 276.424 2.606 20 0 CFADRP CCc1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000584236198 325340413 /nfs/dbraw/zinc/34/04/13/325340413.db2.gz WRZNNVOHLZTNSL-IAGOWNOFSA-N 2 0 258.409 2.965 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000584244111 325341298 /nfs/dbraw/zinc/34/12/98/325341298.db2.gz PYQSTWYQPLEFFW-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000584285569 325343545 /nfs/dbraw/zinc/34/35/45/325343545.db2.gz KJJWSFBPKAUVIZ-RISCZKNCSA-N 2 0 264.438 2.715 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584295168 325344746 /nfs/dbraw/zinc/34/47/46/325344746.db2.gz SWESMEAWRGVJHC-KGLIPLIRSA-N 2 0 292.398 2.656 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423258011 533709727 /nfs/dbraw/zinc/70/97/27/533709727.db2.gz LFURZUGHAIGPKX-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP CC(C)CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193052031 519768684 /nfs/dbraw/zinc/76/86/84/519768684.db2.gz VOBYAAFEBPKGCQ-GOOCMWNKSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753119 500933512 /nfs/dbraw/zinc/93/35/12/500933512.db2.gz YXSBBXGDGFWCRY-MAUKXSAKSA-N 3 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C)c2)[C@@H](C)C1 ZINC000246130324 521721159 /nfs/dbraw/zinc/72/11/59/521721159.db2.gz JONUKYBSLKMSFT-BBRMVZONSA-N 2 0 264.388 2.954 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423177709 533753813 /nfs/dbraw/zinc/75/38/13/533753813.db2.gz HOJKPKBLBHPMJV-QXRTWZOPSA-N 2 0 288.435 2.776 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000423272280 533759741 /nfs/dbraw/zinc/75/97/41/533759741.db2.gz JVXJXHAVOJNJIY-IUODEOHRSA-N 2 0 294.439 2.516 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1C ZINC000422776901 533769776 /nfs/dbraw/zinc/76/97/76/533769776.db2.gz FEWDXKSAANYYQX-CJNGLKHVSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423302709 533772285 /nfs/dbraw/zinc/77/22/85/533772285.db2.gz HZQGQTGHVYYFRQ-YUMQZZPRSA-N 2 0 277.231 2.756 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000423322339 533775137 /nfs/dbraw/zinc/77/51/37/533775137.db2.gz GYGFOWFVIOZRSE-XJKSGUPXSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422886577 533797509 /nfs/dbraw/zinc/79/75/09/533797509.db2.gz XBBSWENYEAMTRN-MHORFTMASA-N 3 0 295.515 2.994 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)c1 ZINC000422704876 533806278 /nfs/dbraw/zinc/80/62/78/533806278.db2.gz QNDMLCUGYYQFDX-DLBZAZTESA-N 2 0 260.425 2.953 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414828770 533818893 /nfs/dbraw/zinc/81/88/93/533818893.db2.gz MSJNQIWPFCYCIS-WBVHZDCISA-N 2 0 260.425 2.905 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423174813 533835165 /nfs/dbraw/zinc/83/51/65/533835165.db2.gz CAXHSGMRLOYDEB-AWEZNQCLSA-N 2 0 299.422 2.580 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1-n1ccnn1 ZINC000423181342 533836343 /nfs/dbraw/zinc/83/63/43/533836343.db2.gz OXNDSJIAQLPZAW-AWEZNQCLSA-N 2 0 299.422 2.580 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422850699 533837279 /nfs/dbraw/zinc/83/72/79/533837279.db2.gz DHLFEMPERBLBAV-GHMZBOCLSA-N 2 0 270.417 2.904 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC[NH2+]1 ZINC000414699481 533838819 /nfs/dbraw/zinc/83/88/19/533838819.db2.gz UGPCORWFRGSSCB-RHSMWYFYSA-N 2 0 288.435 2.992 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000423116488 533845247 /nfs/dbraw/zinc/84/52/47/533845247.db2.gz QAGSBMMDRPJCGA-MGPQQGTHSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423154486 533845450 /nfs/dbraw/zinc/84/54/50/533845450.db2.gz HXTJTGTZHPDRHJ-LLVKDONJSA-N 2 0 288.794 2.965 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423086835 533845612 /nfs/dbraw/zinc/84/56/12/533845612.db2.gz MNTSROJOQPEZFQ-FAEJEUNOSA-N 2 0 290.451 2.650 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422875041 533847272 /nfs/dbraw/zinc/84/72/72/533847272.db2.gz BKFNEYWDGCETKK-OAHLLOKOSA-N 2 0 290.455 2.679 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000423193432 533847500 /nfs/dbraw/zinc/84/75/00/533847500.db2.gz QRXOZIKPEFSMDJ-QWRGUYRKSA-N 2 0 263.410 2.727 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccccc1Cl ZINC000423005948 533844712 /nfs/dbraw/zinc/84/47/12/533844712.db2.gz TUYZJHRSCBLHRK-GFCCVEGCSA-N 2 0 270.804 2.826 20 0 CFADRP COc1ccc(Cl)cc1C[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420303423 533850382 /nfs/dbraw/zinc/85/03/82/533850382.db2.gz KHPIJYMGGCCVFN-GFCCVEGCSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000415017520 533848689 /nfs/dbraw/zinc/84/86/89/533848689.db2.gz SEQHRFUFWSVKAD-GFCCVEGCSA-N 2 0 286.366 2.938 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414814128 533862072 /nfs/dbraw/zinc/86/20/72/533862072.db2.gz ZAJVFPGKJYERLM-SMDDNHRTSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H]([NH2+]CCSCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414824635 533863199 /nfs/dbraw/zinc/86/31/99/533863199.db2.gz RAJAJKWQLCZDBJ-HOCLYGCPSA-N 2 0 278.465 2.898 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423240266 533866237 /nfs/dbraw/zinc/86/62/37/533866237.db2.gz BZQYBKJYWBEWLE-VHSXEESVSA-N 2 0 272.314 2.754 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCOc1cccc2cccnc21 ZINC000422953126 533868206 /nfs/dbraw/zinc/86/82/06/533868206.db2.gz DGKZDTWHZIWTRH-CQSZACIVSA-N 2 0 287.407 2.721 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422950858 533871502 /nfs/dbraw/zinc/87/15/02/533871502.db2.gz WSUWHPYUXRXNHT-CQSZACIVSA-N 2 0 298.434 2.578 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000422778861 533873249 /nfs/dbraw/zinc/87/32/49/533873249.db2.gz HWPPKIZPBVSQNK-VNQPRFMTSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422774366 533869066 /nfs/dbraw/zinc/86/90/66/533869066.db2.gz WSSVQPMKQPITOI-GFCCVEGCSA-N 2 0 250.361 2.574 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000422890998 533874158 /nfs/dbraw/zinc/87/41/58/533874158.db2.gz UGWQZOBQXGYDEF-SWLSCSKDSA-N 2 0 262.397 2.790 20 0 CFADRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000414857057 533875700 /nfs/dbraw/zinc/87/57/00/533875700.db2.gz ZQUGHXOTBMKQSW-ZDUSSCGKSA-N 2 0 294.464 2.896 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[NH3+] ZINC000423333781 533884498 /nfs/dbraw/zinc/88/44/98/533884498.db2.gz OMXDKPFSEWNWEK-SNVBAGLBSA-N 2 0 256.777 2.738 20 0 CFADRP C[C@@H](OCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422782591 533881906 /nfs/dbraw/zinc/88/19/06/533881906.db2.gz JUFLESJCDXOANG-UXLLHSPISA-N 2 0 276.424 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423343722 533890666 /nfs/dbraw/zinc/89/06/66/533890666.db2.gz XDEQHFLSSFWSGC-YJBOKZPZSA-N 2 0 298.434 2.913 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000340179839 522519567 /nfs/dbraw/zinc/51/95/67/522519567.db2.gz AXQGRCRZWGIDKA-ZDUSSCGKSA-N 2 0 264.413 2.651 20 0 CFADRP C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422727912 533902125 /nfs/dbraw/zinc/90/21/25/533902125.db2.gz DSEWVWKQQMAKSP-RRFJBIMHSA-N 2 0 293.480 2.615 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414878262 533902413 /nfs/dbraw/zinc/90/24/13/533902413.db2.gz GXJDLFRQIQNHIU-LLVKDONJSA-N 2 0 292.814 2.567 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC000422765264 533913579 /nfs/dbraw/zinc/91/35/79/533913579.db2.gz KSTUMIWMNZQJRB-KSSFIOAISA-N 2 0 281.403 2.836 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000414857453 533919307 /nfs/dbraw/zinc/91/93/07/533919307.db2.gz PMVGIHWXTLCMNS-JQWIXIFHSA-N 2 0 270.779 2.957 20 0 CFADRP CS[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)(C)C ZINC000423033313 533928196 /nfs/dbraw/zinc/92/81/96/533928196.db2.gz OFRBBJPLBDQALO-BPCQOVAHSA-N 2 0 258.475 2.871 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422841727 533962370 /nfs/dbraw/zinc/96/23/70/533962370.db2.gz WSQTVNMCPOEFEJ-NRSFXHEJSA-N 2 0 287.451 2.509 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422747391 533977681 /nfs/dbraw/zinc/97/76/81/533977681.db2.gz QBWXYIYHLRLGPU-VHDGCEQUSA-N 2 0 288.391 2.583 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414821681 533988082 /nfs/dbraw/zinc/98/80/82/533988082.db2.gz BNUNYCPHKFKFLW-HIFRSBDPSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414936039 534002462 /nfs/dbraw/zinc/00/24/62/534002462.db2.gz GMQHNPGMPYBVQR-SCRDCRAPSA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000423488006 534014026 /nfs/dbraw/zinc/01/40/26/534014026.db2.gz DBCUMMAHPGCMEK-YDHLFZDLSA-N 2 0 290.407 2.626 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423159556 534016855 /nfs/dbraw/zinc/01/68/55/534016855.db2.gz FXOKYFXZPZFPDD-JDFRZJQESA-N 2 0 294.414 2.872 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423159559 534017593 /nfs/dbraw/zinc/01/75/93/534017593.db2.gz FXOKYFXZPZFPDD-QEORTHHSSA-N 2 0 294.414 2.872 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)c1ccccc1 ZINC000422866717 534054692 /nfs/dbraw/zinc/05/46/92/534054692.db2.gz QVUAMIQLNKEFRA-FHERZECASA-N 2 0 275.440 2.618 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000414828395 534060277 /nfs/dbraw/zinc/06/02/77/534060277.db2.gz ITPBRRVICCSWDD-GFCCVEGCSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221285 534064280 /nfs/dbraw/zinc/06/42/80/534064280.db2.gz ZSGKZKQPNPCBQO-WQGACYEGSA-N 2 0 262.372 2.648 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000422793224 534071212 /nfs/dbraw/zinc/07/12/12/534071212.db2.gz WRTGUKMWQJGBHS-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000422965796 534074503 /nfs/dbraw/zinc/07/45/03/534074503.db2.gz PTPZPLOQEMGSAV-RDTXWAMCSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423125531 534074968 /nfs/dbraw/zinc/07/49/68/534074968.db2.gz QWTSFJAUJLRNNB-DDBAPUKQSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423125924 534075251 /nfs/dbraw/zinc/07/52/51/534075251.db2.gz QWTSFJAUJLRNNB-VDHUWJSZSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)C[NH+](C)C ZINC000425932112 534079013 /nfs/dbraw/zinc/07/90/13/534079013.db2.gz OQUXANQMDMGIEE-BLLLJJGKSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)C[NH+](C)C ZINC000425932113 534083839 /nfs/dbraw/zinc/08/38/39/534083839.db2.gz OQUXANQMDMGIEE-LRDDRELGSA-N 2 0 264.388 2.990 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843090 534103644 /nfs/dbraw/zinc/10/36/44/534103644.db2.gz PPQMBEQAWSMXIK-CABCVRRESA-N 2 0 276.424 2.606 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422756848 534105173 /nfs/dbraw/zinc/10/51/73/534105173.db2.gz CNVZFXMMVSVYAB-GJZGRUSLSA-N 2 0 264.438 2.698 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422818067 534122096 /nfs/dbraw/zinc/12/20/96/534122096.db2.gz FKJVXFOZHMWKNG-DZKIICNBSA-N 2 0 278.440 2.978 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422744103 534133948 /nfs/dbraw/zinc/13/39/48/534133948.db2.gz SHALONGNFKCARB-MVJTYMMSSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000414794237 534134197 /nfs/dbraw/zinc/13/41/97/534134197.db2.gz FMPAFEUPPSRJOO-LAVFITLUSA-N 2 0 287.451 2.539 20 0 CFADRP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CCC[NH2+]C1 ZINC000414904236 534175633 /nfs/dbraw/zinc/17/56/33/534175633.db2.gz NFFHNHJKRZYEMU-HNNXBMFYSA-N 2 0 290.436 2.618 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423096254 534200305 /nfs/dbraw/zinc/20/03/05/534200305.db2.gz OHYXBSPROBOIGP-CZUORRHYSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@H]3CCC[C@@H]3[NH3+])co2)cc1 ZINC000422875035 534213205 /nfs/dbraw/zinc/21/32/05/534213205.db2.gz BJIOZYRGKXDVPL-HOTGVXAUSA-N 2 0 285.391 2.662 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423054360 518179563 /nfs/dbraw/zinc/17/95/63/518179563.db2.gz UPAMAPKFQGDCDD-BGTYHANMSA-N 2 0 288.435 2.884 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423274270 534337675 /nfs/dbraw/zinc/33/76/75/534337675.db2.gz LRKKTMNHIBYAOF-RYUDHWBXSA-N 2 0 296.436 2.575 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000051790064 518372430 /nfs/dbraw/zinc/37/24/30/518372430.db2.gz GQUFSRWGODLPJU-IEXSPKMKSA-N 2 0 256.393 2.774 20 0 CFADRP C(C1CC[NH2+]CC1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000262155813 518381659 /nfs/dbraw/zinc/38/16/59/518381659.db2.gz GJKVMDUVXHKWHG-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000224390305 518709365 /nfs/dbraw/zinc/70/93/65/518709365.db2.gz MWKRHZJWRUQREA-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414835818 534419202 /nfs/dbraw/zinc/41/92/02/534419202.db2.gz RVZBOPZSWWDFDX-GFCCVEGCSA-N 2 0 272.314 2.795 20 0 CFADRP CC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000151132853 519415514 /nfs/dbraw/zinc/41/55/14/519415514.db2.gz TYTPLZGYKQGFMF-HNNXBMFYSA-N 2 0 280.456 2.942 20 0 CFADRP CC(C)CCC[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000338421251 519641223 /nfs/dbraw/zinc/64/12/23/519641223.db2.gz OGGAKADTPLQDJZ-IYBDPMFKSA-N 2 0 270.461 2.902 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414832152 534442701 /nfs/dbraw/zinc/44/27/01/534442701.db2.gz DYCGYSIHERHHSQ-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000336173344 519669903 /nfs/dbraw/zinc/66/99/03/519669903.db2.gz AAEIHYREGTXDHF-QGZVFWFLSA-N 2 0 291.483 2.586 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC(F)(F)F)CC1 ZINC000221931816 519672810 /nfs/dbraw/zinc/67/28/10/519672810.db2.gz WBEBIZMPDWJDCD-JTQLQIEISA-N 2 0 252.324 2.790 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])CCC2 ZINC000423128300 534439284 /nfs/dbraw/zinc/43/92/84/534439284.db2.gz QAZIJBBFBDVXDI-XFKAJCMBSA-N 2 0 288.435 2.714 20 0 CFADRP Cc1ccoc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423123932 534446810 /nfs/dbraw/zinc/44/68/10/534446810.db2.gz FRWULHRZHHDDFX-NSHDSACASA-N 2 0 259.353 2.601 20 0 CFADRP CC(C)OCCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000224988434 519760980 /nfs/dbraw/zinc/76/09/80/519760980.db2.gz UAMOJYFCYXJZSW-UHFFFAOYSA-N 2 0 291.439 2.845 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C(C)(C)O ZINC000365103334 519820588 /nfs/dbraw/zinc/82/05/88/519820588.db2.gz BJYYGJFCCGIKTE-INIZCTEOSA-N 2 0 282.472 2.779 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000361893419 519843168 /nfs/dbraw/zinc/84/31/68/519843168.db2.gz KIZTYYJIVRRMMI-UHFFFAOYSA-N 2 0 292.471 2.984 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](COC)CC(C)C)CC1 ZINC000361155921 519843207 /nfs/dbraw/zinc/84/32/07/519843207.db2.gz WKBULDFOWMMQDD-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](COC)CC(C)C)CC1 ZINC000361155920 519843262 /nfs/dbraw/zinc/84/32/62/519843262.db2.gz WKBULDFOWMMQDD-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(OCC)CCCC2)CC1 ZINC000311745125 519846499 /nfs/dbraw/zinc/84/64/99/519846499.db2.gz TZGLHVNYRRWICZ-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CCC1CCC([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000174354981 519856667 /nfs/dbraw/zinc/85/66/67/519856667.db2.gz VQGMNXPYPBDAMI-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414848205 534464678 /nfs/dbraw/zinc/46/46/78/534464678.db2.gz KIAYBMGDTVGSLX-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000165946291 520291997 /nfs/dbraw/zinc/29/19/97/520291997.db2.gz WKEZKOARJUVDOZ-YJBOKZPZSA-N 2 0 290.451 2.929 20 0 CFADRP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423189695 534487795 /nfs/dbraw/zinc/48/77/95/534487795.db2.gz QZLLKROEBMBMKL-SUMWQHHRSA-N 2 0 292.398 2.635 20 0 CFADRP c1ccc(N2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414837627 534492845 /nfs/dbraw/zinc/49/28/45/534492845.db2.gz KPPFJWGKFINUCB-INIZCTEOSA-N 2 0 287.451 2.635 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423250501 534503404 /nfs/dbraw/zinc/50/34/04/534503404.db2.gz QJUIMZUSCSBPBH-GXTWGEPZSA-N 2 0 262.422 2.813 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354208116 520624710 /nfs/dbraw/zinc/62/47/10/520624710.db2.gz NYHUGNDAGAZLOO-JKSUJKDBSA-N 2 0 298.471 2.915 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)OC(C)C ZINC000360947138 520722168 /nfs/dbraw/zinc/72/21/68/520722168.db2.gz LLWYIHHWONATKL-HOTGVXAUSA-N 2 0 298.471 2.818 20 0 CFADRP CC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)COC1 ZINC000309812490 520732979 /nfs/dbraw/zinc/73/29/79/520732979.db2.gz NCMCXENDVHKDQT-QGZVFWFLSA-N 2 0 288.435 2.525 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)COC)cc1 ZINC000053172619 520750003 /nfs/dbraw/zinc/75/00/03/520750003.db2.gz OGABAWOCSSYBLA-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000337327238 521038751 /nfs/dbraw/zinc/03/87/51/521038751.db2.gz XDWQXDKDANQEFL-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CCCC[C@H](CC)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000360247148 521181346 /nfs/dbraw/zinc/18/13/46/521181346.db2.gz ZGDKGENQXSPNNO-HNNXBMFYSA-N 2 0 270.461 2.780 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000236661287 521424019 /nfs/dbraw/zinc/42/40/19/521424019.db2.gz WTZCFLRZDVTAPD-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCCOC)CC1 ZINC000177947756 521549536 /nfs/dbraw/zinc/54/95/36/521549536.db2.gz GCLTXXRPUUVGJR-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000088413736 521564988 /nfs/dbraw/zinc/56/49/88/521564988.db2.gz BXGNOVHRCMNXNW-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP CCC(O)(CC)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305149644 521656450 /nfs/dbraw/zinc/65/64/50/521656450.db2.gz SWISGOAUFCUEJV-UHFFFAOYSA-N 2 0 282.472 2.924 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CC)[C@H](C)C1 ZINC000245536489 521708203 /nfs/dbraw/zinc/70/82/03/521708203.db2.gz LIIVQWUXCZVBJM-OAGGEKHMSA-N 2 0 270.461 2.759 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309924211 521795877 /nfs/dbraw/zinc/79/58/77/521795877.db2.gz WWSWTUSOMKAQAQ-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP CCc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052204653 521825408 /nfs/dbraw/zinc/82/54/08/521825408.db2.gz HVVYZXKLXJDFEO-SJPCQFCGSA-N 2 0 258.409 2.964 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000337419472 521872642 /nfs/dbraw/zinc/87/26/42/521872642.db2.gz FDXQWMXKLAHFRT-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000422777198 534594439 /nfs/dbraw/zinc/59/44/39/534594439.db2.gz FRWQYWRVZUSADU-UHFFFAOYSA-N 2 0 286.423 2.534 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000261977516 521984192 /nfs/dbraw/zinc/98/41/92/521984192.db2.gz GOORUQSSHHEQDC-UHFFFAOYSA-N 2 0 299.418 2.762 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000261837387 521984738 /nfs/dbraw/zinc/98/47/38/521984738.db2.gz CEKMDPYNGKCKGB-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000088555278 521985010 /nfs/dbraw/zinc/98/50/10/521985010.db2.gz TUHPRDOHOCVYGZ-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP CC[C@@H](C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000088503046 521990919 /nfs/dbraw/zinc/99/09/19/521990919.db2.gz UNTYYHXWICMFSN-ZACQAIPSSA-N 2 0 281.488 2.523 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000423324628 534605032 /nfs/dbraw/zinc/60/50/32/534605032.db2.gz KSWCNXJJHVHFSG-INIZCTEOSA-N 2 0 273.355 2.639 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414912960 534605796 /nfs/dbraw/zinc/60/57/96/534605796.db2.gz VKCZGADFLUSNLF-UHFFFAOYSA-N 2 0 261.394 2.639 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000309869827 522045824 /nfs/dbraw/zinc/04/58/24/522045824.db2.gz QTIGXVZCLBKRJZ-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP [NH3+]CCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423177656 534616606 /nfs/dbraw/zinc/61/66/06/534616606.db2.gz BBACPZCQJZDRLA-MRXNPFEDSA-N 2 0 289.810 2.957 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000195138707 522358443 /nfs/dbraw/zinc/35/84/43/522358443.db2.gz WHDCQWGODSOBBY-SJLPKXTDSA-N 2 0 288.435 2.523 20 0 CFADRP CC[C@@H](COC)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000156226165 522591451 /nfs/dbraw/zinc/59/14/51/522591451.db2.gz GTSIQLAAUNJDBG-WBVHZDCISA-N 2 0 278.440 2.912 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc2ccccc21 ZINC000234795314 522668956 /nfs/dbraw/zinc/66/89/56/522668956.db2.gz HQCKDMZHMHDJQG-INIZCTEOSA-N 2 0 272.392 2.683 20 0 CFADRP COC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C(C)C ZINC000155836083 522735336 /nfs/dbraw/zinc/73/53/36/522735336.db2.gz HZEUUKHMCJTDOI-HNNXBMFYSA-N 2 0 258.450 2.756 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231669852 522780752 /nfs/dbraw/zinc/78/07/52/522780752.db2.gz WQNYXSOELBOTPV-OAHLLOKOSA-N 2 0 280.387 2.669 20 0 CFADRP COCC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000361317108 522869082 /nfs/dbraw/zinc/86/90/82/522869082.db2.gz XXPWIMNMVJJBEP-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217511193 522934507 /nfs/dbraw/zinc/93/45/07/522934507.db2.gz FGUBKZQSXXYEIZ-SWLSCSKDSA-N 2 0 250.361 2.948 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)CCCC[NH3+] ZINC000422757815 534685263 /nfs/dbraw/zinc/68/52/63/534685263.db2.gz MZITXDRWDRBDIU-AWEZNQCLSA-N 2 0 288.439 2.842 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000361340146 523249062 /nfs/dbraw/zinc/24/90/62/523249062.db2.gz AHHYPUKIXKFRNJ-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@@H]2C)CC1 ZINC000159160926 523297102 /nfs/dbraw/zinc/29/71/02/523297102.db2.gz NSQKQPWTDFZXHY-FKEKPDDDSA-N 2 0 282.472 2.902 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000159208404 523298342 /nfs/dbraw/zinc/29/83/42/523298342.db2.gz DOTJNFPUIPUBMK-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423094725 534711969 /nfs/dbraw/zinc/71/19/69/534711969.db2.gz KPQIDHKAGOKASJ-HNKHHVNMSA-N 2 0 262.372 2.931 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]CC2([NH3+])CCC2)C2CC2)c1 ZINC000423326298 534722126 /nfs/dbraw/zinc/72/21/26/534722126.db2.gz MAEOIRPSNBJJHO-MRXNPFEDSA-N 2 0 258.409 2.787 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339342125 523749337 /nfs/dbraw/zinc/74/93/37/523749337.db2.gz ZPKGYVMGYZBBAW-UHFFFAOYSA-N 2 0 297.402 2.617 20 0 CFADRP CCc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC000336202867 523797523 /nfs/dbraw/zinc/79/75/23/523797523.db2.gz LXOJEHUBIMTRGJ-OAHLLOKOSA-N 2 0 273.424 2.812 20 0 CFADRP CCc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000336186544 523798217 /nfs/dbraw/zinc/79/82/17/523798217.db2.gz YIAQEIYZRXAVII-CZUORRHYSA-N 2 0 259.397 2.565 20 0 CFADRP CC[C@H](C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336825667 523881627 /nfs/dbraw/zinc/88/16/27/523881627.db2.gz ASYYKQXDEDWRHY-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309741754 523898606 /nfs/dbraw/zinc/89/86/06/523898606.db2.gz SDRWVDSUWRSRGT-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000314103887 523900326 /nfs/dbraw/zinc/90/03/26/523900326.db2.gz HKTPQXRVBQOQEN-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000049554022 523982002 /nfs/dbraw/zinc/98/20/02/523982002.db2.gz CMUHRMJRWRJVTF-HUUCEWRRSA-N 2 0 278.440 2.946 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(C)n1 ZINC000423290031 534751704 /nfs/dbraw/zinc/75/17/04/534751704.db2.gz CALLYVGKXPAOHY-RYUDHWBXSA-N 2 0 284.407 2.964 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337990350 524040033 /nfs/dbraw/zinc/04/00/33/524040033.db2.gz CDDYPMUZQNOYHC-RDJZCZTQSA-N 2 0 299.478 2.520 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190423224 524050707 /nfs/dbraw/zinc/05/07/07/524050707.db2.gz RFHRZXDOZLKNIW-QGZVFWFLSA-N 2 0 282.472 2.591 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCC2CCOCC2)CC1 ZINC000361467634 524050819 /nfs/dbraw/zinc/05/08/19/524050819.db2.gz XLRPPNPJVAHYGI-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CN(CCC[N@H+](C)[C@H]1C=CCCCCC1)CC[NH+](C)C ZINC000339206231 524061111 /nfs/dbraw/zinc/06/11/11/524061111.db2.gz QHCDHLTVDZADHF-KRWDZBQOSA-N 2 0 281.488 2.691 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000156395515 524110833 /nfs/dbraw/zinc/11/08/33/524110833.db2.gz NMFVINBUYIZBEF-GDBMZVCRSA-N 2 0 250.430 2.983 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000049553170 524157475 /nfs/dbraw/zinc/15/74/75/524157475.db2.gz XDJHJANTMVULRH-OLZOCXBDSA-N 2 0 250.386 2.686 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000311132046 524308164 /nfs/dbraw/zinc/30/81/64/524308164.db2.gz WTECDBZIBPZVAQ-ZJUUUORDSA-N 2 0 258.312 2.533 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010082 524311427 /nfs/dbraw/zinc/31/14/27/524311427.db2.gz MXTRLYJRHAAKER-HOCLYGCPSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335042711 524312265 /nfs/dbraw/zinc/31/22/65/524312265.db2.gz UUVQAHKINVNEOC-SMDDNHRTSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063197697 524389651 /nfs/dbraw/zinc/38/96/51/524389651.db2.gz LRVATNPLIKOLOE-QGZVFWFLSA-N 2 0 258.409 2.959 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000305125948 524391621 /nfs/dbraw/zinc/39/16/21/524391621.db2.gz LDPHHHRJJALKSA-SPUZQDLCSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000334862426 524439026 /nfs/dbraw/zinc/43/90/26/524439026.db2.gz LNTQRWGCISNMPU-ZWKOTPCHSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335024531 524530366 /nfs/dbraw/zinc/53/03/66/524530366.db2.gz ZBJIUGXYARDNRR-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)O1 ZINC000365097645 524588648 /nfs/dbraw/zinc/58/86/48/524588648.db2.gz PGRSNVXVOUPRLA-AEFFLSMTSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Cl ZINC000334867974 524609602 /nfs/dbraw/zinc/60/96/02/524609602.db2.gz HEMQUAGGLXMXTH-YPMHNXCESA-N 2 0 252.789 2.879 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000334867971 524609868 /nfs/dbraw/zinc/60/98/68/524609868.db2.gz HEMQUAGGLXMXTH-AAEUAGOBSA-N 2 0 252.789 2.879 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc2cccnc12 ZINC000336235393 524710717 /nfs/dbraw/zinc/71/07/17/524710717.db2.gz HLJVDSFICJPTOR-BBRMVZONSA-N 2 0 269.392 2.712 20 0 CFADRP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000262037031 524735985 /nfs/dbraw/zinc/73/59/85/524735985.db2.gz XUQIGSOWBJRESV-QGLTVNCISA-N 2 0 250.361 2.789 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(C)s1 ZINC000334845613 524783271 /nfs/dbraw/zinc/78/32/71/524783271.db2.gz YKERYRQGQQKLMZ-ZDUSSCGKSA-N 2 0 252.427 2.843 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414855397 534807907 /nfs/dbraw/zinc/80/79/07/534807907.db2.gz NCQILQOTIHESNL-SWLSCSKDSA-N 2 0 292.471 2.733 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000335684511 524805372 /nfs/dbraw/zinc/80/53/72/524805372.db2.gz OQKWOOTUCRLYEL-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1C ZINC000151802821 524829042 /nfs/dbraw/zinc/82/90/42/524829042.db2.gz VJWGMBMUOZKOSK-MRXNPFEDSA-N 2 0 290.451 2.658 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000157054606 524848758 /nfs/dbraw/zinc/84/87/58/524848758.db2.gz IACCMANOTQZSFW-XYPWUTKMSA-N 2 0 262.372 2.849 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339406931 524862577 /nfs/dbraw/zinc/86/25/77/524862577.db2.gz ICRGSNINLIXUBO-GJZGRUSLSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000315347958 524910990 /nfs/dbraw/zinc/91/09/90/524910990.db2.gz YGQUXIILDISWFL-QWQRMKEZSA-N 2 0 298.434 2.895 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](CCC2CCCC2)CC1 ZINC000361519389 524933055 /nfs/dbraw/zinc/93/30/55/524933055.db2.gz NQFAJMDKNXJEDK-UHFFFAOYSA-N 2 0 289.423 2.793 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CCC[NH+]1CCCC1 ZINC000049332726 524940214 /nfs/dbraw/zinc/94/02/14/524940214.db2.gz NYLVQWIKNBOYHT-ZDUSSCGKSA-N 2 0 252.427 2.755 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334856609 525093751 /nfs/dbraw/zinc/09/37/51/525093751.db2.gz ISGVJFZSPOVJDV-RISCZKNCSA-N 2 0 260.406 2.989 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334856599 525095749 /nfs/dbraw/zinc/09/57/49/525095749.db2.gz ISGVJFZSPOVJDV-BXUZGUMPSA-N 2 0 260.406 2.989 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334853927 525137120 /nfs/dbraw/zinc/13/71/20/525137120.db2.gz JLQJYUMFPKLAJM-ROUUACIJSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000302554667 525176827 /nfs/dbraw/zinc/17/68/27/525176827.db2.gz KSSJMHDQOYTVHX-HIFRSBDPSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000216051330 525236233 /nfs/dbraw/zinc/23/62/33/525236233.db2.gz HIIAYQQZRXEGSW-PWSUYJOCSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@]1(C[NH2+]CC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309924288 525266233 /nfs/dbraw/zinc/26/62/33/525266233.db2.gz WXALOQVCPQPICE-QGZVFWFLSA-N 2 0 258.409 2.898 20 0 CFADRP CSC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC000302368590 525331264 /nfs/dbraw/zinc/33/12/64/525331264.db2.gz CEDIDAVLDFQEFG-AGUYFDCRSA-N 2 0 268.470 2.877 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccc(F)cn2)CC[NH+](C)CC1 ZINC000353633088 525337792 /nfs/dbraw/zinc/33/77/92/525337792.db2.gz VYMNTFIZLYMEHL-GFCCVEGCSA-N 2 0 297.443 2.699 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000313926437 525410067 /nfs/dbraw/zinc/41/00/67/525410067.db2.gz XIKJSIIUCVCABR-SZMVWBNQSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H]([NH2+]CCCF)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309696783 525433949 /nfs/dbraw/zinc/43/39/49/525433949.db2.gz DPSIDWAIKOTDCV-GDBMZVCRSA-N 2 0 264.388 2.846 20 0 CFADRP CSCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173533789 525445996 /nfs/dbraw/zinc/44/59/96/525445996.db2.gz FYCUUIPNCNMSAL-UHFFFAOYSA-N 2 0 256.459 2.547 20 0 CFADRP C[C@@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305145401 525855971 /nfs/dbraw/zinc/85/59/71/525855971.db2.gz NHWLCVZRPUOSQI-MSOLQXFVSA-N 2 0 294.483 2.924 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1C ZINC000151828579 525916813 /nfs/dbraw/zinc/91/68/13/525916813.db2.gz KUESRKDBYBNNJG-INIZCTEOSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000336128089 526074511 /nfs/dbraw/zinc/07/45/11/526074511.db2.gz JKOSJFDODHBPAA-ZDUSSCGKSA-N 2 0 262.372 2.962 20 0 CFADRP CSc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334996217 526159794 /nfs/dbraw/zinc/15/97/94/526159794.db2.gz MIIFJOMDPZGCRI-OKILXGFUSA-N 2 0 276.449 2.840 20 0 CFADRP Fc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000336277710 526331979 /nfs/dbraw/zinc/33/19/79/526331979.db2.gz HBFLARWQQZZFCF-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP Fc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000334867966 526385361 /nfs/dbraw/zinc/38/53/61/526385361.db2.gz HCADCONYYWRXRV-GOEBONIOSA-N 2 0 262.372 2.790 20 0 CFADRP C1=C(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000422961140 526418358 /nfs/dbraw/zinc/41/83/58/526418358.db2.gz ARXVLYOFNBEFRX-YESZJQIVSA-N 2 0 278.440 2.624 20 0 CFADRP c1cc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000049153307 526420777 /nfs/dbraw/zinc/42/07/77/526420777.db2.gz JFNJHDICORXFGH-UHFFFAOYSA-N 2 0 287.432 2.944 20 0 CFADRP C1CC1[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415001930 526420867 /nfs/dbraw/zinc/42/08/67/526420867.db2.gz CUESOCFALHNIHP-LUKYLMHMSA-N 2 0 262.441 2.933 20 0 CFADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000063152340 526426372 /nfs/dbraw/zinc/42/63/72/526426372.db2.gz MWHMVNJBWSMXJZ-UHFFFAOYSA-N 2 0 273.405 2.902 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)nc1 ZINC000367712694 526462171 /nfs/dbraw/zinc/46/21/71/526462171.db2.gz MLNYFIKSWLDNJF-CVEARBPZSA-N 2 0 285.435 2.720 20 0 CFADRP c1ccc2c(c1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000050952383 526503019 /nfs/dbraw/zinc/50/30/19/526503019.db2.gz LFSGQJDIZSXTOK-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261863540 526514124 /nfs/dbraw/zinc/51/41/24/526514124.db2.gz YDGDDTYALNPKFP-RDJZCZTQSA-N 2 0 266.388 2.881 20 0 CFADRP c1sc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc1C1CC1 ZINC000334784163 526632706 /nfs/dbraw/zinc/63/27/06/526632706.db2.gz IEVSHQOFIQOHEW-UHFFFAOYSA-N 2 0 277.437 2.596 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000311120065 526744083 /nfs/dbraw/zinc/74/40/83/526744083.db2.gz UFEWLMIPKIRAEB-MFKMUULPSA-N 2 0 267.442 2.943 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000334842515 526788729 /nfs/dbraw/zinc/78/87/29/526788729.db2.gz LOUQFCZDZJEUQQ-UHFFFAOYSA-N 2 0 258.365 2.973 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cs1 ZINC000158073059 527031448 /nfs/dbraw/zinc/03/14/48/527031448.db2.gz DIEGSOSXOHZCLP-LLVKDONJSA-N 2 0 267.442 2.834 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423334087 527080306 /nfs/dbraw/zinc/08/03/06/527080306.db2.gz QLDBCIHHSFTJMK-CYBMUJFWSA-N 2 0 289.423 2.685 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCC23CCOCC3)CCCCCC1 ZINC000335061508 527132564 /nfs/dbraw/zinc/13/25/64/527132564.db2.gz XFJATLYAHFAKNN-HNNXBMFYSA-N 2 0 280.456 2.977 20 0 CFADRP [NH3+]C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000339407038 527143519 /nfs/dbraw/zinc/14/35/19/527143519.db2.gz JRZOCKWCKFZEMS-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423176891 527176959 /nfs/dbraw/zinc/17/69/59/527176959.db2.gz GMOZDKUPYFGUGZ-IXDOHACOSA-N 2 0 287.451 2.870 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000236210911 527177665 /nfs/dbraw/zinc/17/76/65/527177665.db2.gz BPEAFLHOXPWSRA-UHFFFAOYSA-N 2 0 291.620 2.931 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1F ZINC000422857261 527180866 /nfs/dbraw/zinc/18/08/66/527180866.db2.gz YDSXANVWQOEAGV-WFASDCNBSA-N 2 0 264.388 2.820 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000070149463 527191512 /nfs/dbraw/zinc/19/15/12/527191512.db2.gz DAPKOXSJJNJAPC-HNNXBMFYSA-N 2 0 280.387 2.798 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423287103 527259351 /nfs/dbraw/zinc/25/93/51/527259351.db2.gz KHNAWXAVDUFESG-CQSZACIVSA-N 2 0 266.816 2.988 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423282597 527260545 /nfs/dbraw/zinc/26/05/45/527260545.db2.gz CVHHPKNWHQLTHZ-HUUCEWRRSA-N 2 0 296.842 2.757 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335283005 527344195 /nfs/dbraw/zinc/34/41/95/527344195.db2.gz ZYIVLZKDOCKSCL-HUUCEWRRSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCOc3ccccc3)C[C@H]21 ZINC000228473173 527354239 /nfs/dbraw/zinc/35/42/39/527354239.db2.gz SQRIHMIMEUEDBP-DJIMGWMZSA-N 2 0 274.408 2.515 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]21 ZINC000228537607 527360254 /nfs/dbraw/zinc/36/02/54/527360254.db2.gz YHOLKBOXPZGQMA-NUEKZKHPSA-N 2 0 270.376 2.992 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCCC3CCOCC3)C[C@H]21 ZINC000312231842 527360422 /nfs/dbraw/zinc/36/04/22/527360422.db2.gz LASXCDQOSHRHKO-GVDBMIGSSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCC2([NH3+])CCCCCC2)c2ccccc21 ZINC000335056129 527417508 /nfs/dbraw/zinc/41/75/08/527417508.db2.gz BHEJITHQZIGWHB-JKSUJKDBSA-N 2 0 273.424 2.773 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COC1CCCC1 ZINC000422836069 527486394 /nfs/dbraw/zinc/48/63/94/527486394.db2.gz ZNLMUHDYLICFIQ-GVDBMIGSSA-N 2 0 280.456 2.846 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000335149827 527568793 /nfs/dbraw/zinc/56/87/93/527568793.db2.gz GFAORUYQEZTAFB-CHWSQXEVSA-N 2 0 270.380 2.806 20 0 CFADRP O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163273663 527663042 /nfs/dbraw/zinc/66/30/42/527663042.db2.gz HWLAUJBPJCHAAF-CVEARBPZSA-N 2 0 292.423 2.653 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCC1 ZINC000422871974 527695450 /nfs/dbraw/zinc/69/54/50/527695450.db2.gz FCJWDSOFTJAEDU-RRFJBIMHSA-N 2 0 268.445 2.545 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000424210344 527711343 /nfs/dbraw/zinc/71/13/43/527711343.db2.gz VVERIHSUXZHGRT-BCDXTJNWSA-N 2 0 299.462 2.717 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417921668 527724714 /nfs/dbraw/zinc/72/47/14/527724714.db2.gz BGSHAPACIIMMFL-MRXNPFEDSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422839464 527725359 /nfs/dbraw/zinc/72/53/59/527725359.db2.gz QCRSIMGXQJQLGX-WMZOPIPTSA-N 3 0 295.515 2.865 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422842665 527725615 /nfs/dbraw/zinc/72/56/15/527725615.db2.gz YUPNXTOTODYSRU-MRXNPFEDSA-N 3 0 283.504 2.852 20 0 CFADRP CCO[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000422823129 527728823 /nfs/dbraw/zinc/72/88/23/527728823.db2.gz LGUSXMBEWZQDLB-WFVVYAPDSA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414704504 527747006 /nfs/dbraw/zinc/74/70/06/527747006.db2.gz MJQKZBIZHJXORO-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)[C@@H]([NH2+]C2CC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000423184201 527827173 /nfs/dbraw/zinc/82/71/73/527827173.db2.gz LWDUNVZNNNGFNM-HOTGVXAUSA-N 2 0 274.408 2.574 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCC[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423343137 527828068 /nfs/dbraw/zinc/82/80/68/527828068.db2.gz ZFZUBUKWXBTDES-HOTGVXAUSA-N 2 0 276.424 2.699 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C1(C)C ZINC000423198322 527833619 /nfs/dbraw/zinc/83/36/19/527833619.db2.gz FFZKQVUEXMVEEP-ZIAGYGMSSA-N 2 0 268.445 2.831 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000417910808 527848749 /nfs/dbraw/zinc/84/87/49/527848749.db2.gz KKOWPALIFXNOAM-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH3+])C[C@H]1OCc1ccccc1 ZINC000423343138 527868718 /nfs/dbraw/zinc/86/87/18/527868718.db2.gz ZFZUBUKWXBTDES-HZPDHXFCSA-N 2 0 276.424 2.699 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]2CCO[C@@H]21 ZINC000422783531 527876863 /nfs/dbraw/zinc/87/68/63/527876863.db2.gz MZBJSCDUGXWHGZ-JKJDWNRSSA-N 2 0 272.392 2.534 20 0 CFADRP COC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000452110186 536522865 /nfs/dbraw/zinc/52/28/65/536522865.db2.gz YILDBEDOMSLNQG-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP COC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000452073697 536522985 /nfs/dbraw/zinc/52/29/85/536522985.db2.gz BBMGRFCGMLLJJW-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C12CCCCC2 ZINC000422918195 527947471 /nfs/dbraw/zinc/94/74/71/527947471.db2.gz GXCMCGXJLFGCRA-CBBWQLFWSA-N 2 0 268.445 2.830 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1(CC)CC ZINC000422837821 527947595 /nfs/dbraw/zinc/94/75/95/527947595.db2.gz MYPHHZBNDXTNRA-XDQVBPFNSA-N 2 0 256.434 2.686 20 0 CFADRP CC1(C[NH2+]Cc2ccc(OCC(F)F)cc2)CC[NH2+]CC1 ZINC000414906520 527980838 /nfs/dbraw/zinc/98/08/38/527980838.db2.gz PZYNZQXXBOHJOO-UHFFFAOYSA-N 2 0 298.377 2.810 20 0 CFADRP CC1(C[NH2+]Cc2coc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000414896463 527982774 /nfs/dbraw/zinc/98/27/74/527982774.db2.gz BYGJSZJDEBRBNG-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP CC1(C[NH2+]Cc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000414901703 527984079 /nfs/dbraw/zinc/98/40/79/527984079.db2.gz JEXUFDKWVGDGHO-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422702621 528058678 /nfs/dbraw/zinc/05/86/78/528058678.db2.gz FLCDOQDVZGVRAV-JKSUJKDBSA-N 2 0 269.477 2.619 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000414051011 528115450 /nfs/dbraw/zinc/11/54/50/528115450.db2.gz IOPLKELPHVLUBH-ZIAGYGMSSA-N 2 0 266.433 2.581 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422939720 528123588 /nfs/dbraw/zinc/12/35/88/528123588.db2.gz IGGQUFVJPIZEEN-HZPDHXFCSA-N 2 0 262.397 2.658 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)C12CCCCC2 ZINC000423332412 528141538 /nfs/dbraw/zinc/14/15/38/528141538.db2.gz DESAUNMAEVZPBS-HOTGVXAUSA-N 2 0 278.440 2.624 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C12CCCC2 ZINC000423535217 528141887 /nfs/dbraw/zinc/14/18/87/528141887.db2.gz CJJHKEDOVCOCSJ-HOTGVXAUSA-N 2 0 278.440 2.624 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000352843654 528144794 /nfs/dbraw/zinc/14/47/94/528144794.db2.gz BJRXSCVAWSRWFK-RYQLBKOJSA-N 2 0 294.483 2.661 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422863556 528150150 /nfs/dbraw/zinc/15/01/50/528150150.db2.gz RZLPAHGRFTYCKM-SJLPKXTDSA-N 2 0 290.451 2.981 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415036536 528155311 /nfs/dbraw/zinc/15/53/11/528155311.db2.gz LLKGCTCCONXIKS-HOTGVXAUSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414856650 528161699 /nfs/dbraw/zinc/16/16/99/528161699.db2.gz YVKDJOOULUWFJW-OAHLLOKOSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422837988 528171310 /nfs/dbraw/zinc/17/13/10/528171310.db2.gz NJTGTXKFCLBVRC-QAETUUGQSA-N 2 0 281.488 2.617 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCc2scnc2C)CC1 ZINC000172537198 528193768 /nfs/dbraw/zinc/19/37/68/528193768.db2.gz GAUATVWRXDNQPF-UHFFFAOYSA-N 2 0 281.469 2.800 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000414875663 528195569 /nfs/dbraw/zinc/19/55/69/528195569.db2.gz KEJRNRHQGMGTCZ-ZIAGYGMSSA-N 2 0 291.439 2.712 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH3+])c1ccc(OC)cc1 ZINC000423325418 528217950 /nfs/dbraw/zinc/21/79/50/528217950.db2.gz IPZJVTKFCJGOED-HNNXBMFYSA-N 2 0 250.386 2.865 20 0 CFADRP CCC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423257742 528220314 /nfs/dbraw/zinc/22/03/14/528220314.db2.gz KVGFHTFZWJMBBW-GJZGRUSLSA-N 2 0 261.413 2.902 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414832276 528224912 /nfs/dbraw/zinc/22/49/12/528224912.db2.gz OHTMTIQKBXGUSC-CQSZACIVSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414858330 528225992 /nfs/dbraw/zinc/22/59/92/528225992.db2.gz RKKUILNPPWXBJJ-HOCLYGCPSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415048739 528255974 /nfs/dbraw/zinc/25/59/74/528255974.db2.gz XHMNHNFLDACXAN-UKRRQHHQSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)c1nc(CC[NH2+]C2CCC([NH3+])CC2)cs1 ZINC000415117681 528272833 /nfs/dbraw/zinc/27/28/33/528272833.db2.gz WAQUOVXPOPZROU-UHFFFAOYSA-N 2 0 267.442 2.669 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H](C)CCCC[NH3+])cs1 ZINC000422906020 528273657 /nfs/dbraw/zinc/27/36/57/528273657.db2.gz TYWOCGVSBGKDAD-GFCCVEGCSA-N 2 0 269.458 2.916 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])cc(Cl)c1OC ZINC000414889461 528280161 /nfs/dbraw/zinc/28/01/61/528280161.db2.gz SRZJSBUKHPISJN-JTQLQIEISA-N 2 0 286.803 2.574 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])CC(C)C ZINC000422834738 528280503 /nfs/dbraw/zinc/28/05/03/528280503.db2.gz XJMGPNANPXWPIB-IXDOHACOSA-N 2 0 283.504 2.850 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414672966 528429781 /nfs/dbraw/zinc/42/97/81/528429781.db2.gz PWLHJPFQAKZJQK-GDBMZVCRSA-N 2 0 276.424 2.905 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000414796543 528460382 /nfs/dbraw/zinc/46/03/82/528460382.db2.gz HTCXHUNTTADDTR-GOEBONIOSA-N 2 0 262.397 2.692 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425363828 528462404 /nfs/dbraw/zinc/46/24/04/528462404.db2.gz WUAQFQXHJYYTTI-ZIAGYGMSSA-N 2 0 256.459 2.735 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CCOC2)CC1 ZINC000164487401 528462792 /nfs/dbraw/zinc/46/27/92/528462792.db2.gz AGHYWOJTBZFHMU-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423240260 528493899 /nfs/dbraw/zinc/49/38/99/528493899.db2.gz BZDFROUDUSGTML-DLBZAZTESA-N 2 0 260.425 2.843 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422808863 528498945 /nfs/dbraw/zinc/49/89/45/528498945.db2.gz OYLANEZSWGIRDH-RYQLBKOJSA-N 2 0 292.467 2.579 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422810026 528499058 /nfs/dbraw/zinc/49/90/58/528499058.db2.gz QUQBFWZDDTVGNA-JQFCIGGWSA-N 2 0 276.424 2.766 20 0 CFADRP CCN(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1cccc(C)c1 ZINC000422762523 528512789 /nfs/dbraw/zinc/51/27/89/528512789.db2.gz IGJGGJXMXDSPIS-CABCVRRESA-N 2 0 263.429 2.537 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(C)c1 ZINC000422765768 528515428 /nfs/dbraw/zinc/51/54/28/528515428.db2.gz LDVIEWAUSYUJRS-DOTOQJQBSA-N 2 0 275.440 2.538 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423269590 528519037 /nfs/dbraw/zinc/51/90/37/528519037.db2.gz VWXOREWMPMKBEU-JQHSSLGASA-N 2 0 289.467 2.612 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cn1 ZINC000423257494 528576321 /nfs/dbraw/zinc/57/63/21/528576321.db2.gz JSWCFMDRYYLBLO-KGLIPLIRSA-N 2 0 264.417 2.504 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1(CO)CCCC1 ZINC000415109369 528590269 /nfs/dbraw/zinc/59/02/69/528590269.db2.gz RCYDGNUDIPPKGW-OWCLPIDISA-N 2 0 282.472 2.541 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000422937694 528635056 /nfs/dbraw/zinc/63/50/56/528635056.db2.gz JWYGDSVFSOXLAE-HUUCEWRRSA-N 2 0 268.445 2.690 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422805435 528646561 /nfs/dbraw/zinc/64/65/61/528646561.db2.gz GTXPANYSSSDWOI-HOTGVXAUSA-N 2 0 276.424 2.910 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414796567 528687736 /nfs/dbraw/zinc/68/77/36/528687736.db2.gz OHAPCDUCBLEHAZ-GDBMZVCRSA-N 2 0 262.397 2.692 20 0 CFADRP CCCCOc1ccccc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414886648 528702157 /nfs/dbraw/zinc/70/21/57/528702157.db2.gz YOXFHVHQQDATCL-ZDUSSCGKSA-N 2 0 250.386 2.550 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423229203 528724685 /nfs/dbraw/zinc/72/46/85/528724685.db2.gz GSIOTJKAAODXQZ-STQMWFEESA-N 2 0 250.386 2.863 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423053619 528854475 /nfs/dbraw/zinc/85/44/75/528854475.db2.gz AVPAPNGBHBGBQT-ZIAGYGMSSA-N 2 0 263.429 2.747 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCC1 ZINC000422815476 528855536 /nfs/dbraw/zinc/85/55/36/528855536.db2.gz BWIKULHHJSAXAZ-NXHRZFHOSA-N 2 0 295.515 2.865 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]CCCCOc1ccccc1 ZINC000414804454 528947741 /nfs/dbraw/zinc/94/77/41/528947741.db2.gz FBHCJQDEBLUAJV-UHFFFAOYSA-N 2 0 264.413 2.953 20 0 CFADRP CCC([NH3+])(CC)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000414815438 528948760 /nfs/dbraw/zinc/94/87/60/528948760.db2.gz XOWLMJCDRJAIDJ-UHFFFAOYSA-N 2 0 289.467 2.758 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414810864 528949212 /nfs/dbraw/zinc/94/92/12/528949212.db2.gz OVXSGAPFTWKJNT-ZDUSSCGKSA-N 2 0 266.433 2.502 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000414807196 528954449 /nfs/dbraw/zinc/95/44/49/528954449.db2.gz IRCPFWIVXGJWFL-JKSUJKDBSA-N 2 0 275.440 2.587 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414812645 528958195 /nfs/dbraw/zinc/95/81/95/528958195.db2.gz LDLSGFOCUPSSAV-BBWFWOEESA-N 2 0 275.440 2.587 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccoc2C)CC1 ZINC000414357427 528968120 /nfs/dbraw/zinc/96/81/20/528968120.db2.gz JIZPILISRHKZDD-UHFFFAOYSA-N 2 0 250.386 2.800 20 0 CFADRP CC[NH+]1CCC(NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414851386 528986275 /nfs/dbraw/zinc/98/62/75/528986275.db2.gz UFTUFKKTBBQORB-SFHVURJKSA-N 2 0 289.467 2.884 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)OCC2CC2)CC1 ZINC000414238038 528999649 /nfs/dbraw/zinc/99/96/49/528999649.db2.gz HJIQOKYGPQNVNS-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422813709 529016445 /nfs/dbraw/zinc/01/64/45/529016445.db2.gz SFTRNHNDUIGFSD-DZJNRPSUSA-N 2 0 290.451 2.768 20 0 CFADRP CC(C)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422965838 529017913 /nfs/dbraw/zinc/01/79/13/529017913.db2.gz PVPAXHMFODCCNT-SQNIBIBYSA-N 2 0 295.515 2.994 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000423189704 529027469 /nfs/dbraw/zinc/02/74/69/529027469.db2.gz RBSYXNYKIAGMMK-KRWDZBQOSA-N 2 0 276.424 2.569 20 0 CFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414793376 529067870 /nfs/dbraw/zinc/06/78/70/529067870.db2.gz KIRPOZKTTPAARH-HYVNUMGLSA-N 2 0 281.488 2.602 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422808820 529072315 /nfs/dbraw/zinc/07/23/15/529072315.db2.gz OSECYADJVXCJKP-PBHICJAKSA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423285700 529072687 /nfs/dbraw/zinc/07/26/87/529072687.db2.gz ZOFPZQBPMUCZLB-IXDOHACOSA-N 2 0 290.451 2.943 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193123632 529143919 /nfs/dbraw/zinc/14/39/19/529143919.db2.gz OTLQSJROYYDBOK-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CCSCCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423116322 529177946 /nfs/dbraw/zinc/17/79/46/529177946.db2.gz PIWQAMKLSZKQIF-LLVKDONJSA-N 2 0 267.442 2.643 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)C(C)(C)c1ccccc1 ZINC000422785963 529199113 /nfs/dbraw/zinc/19/91/13/529199113.db2.gz PWHURNABEWJDQA-XJKSGUPXSA-N 2 0 260.425 2.940 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccncc1 ZINC000423433020 529204167 /nfs/dbraw/zinc/20/41/67/529204167.db2.gz MTELOTYRNDKXRF-ARFHVFGLSA-N 2 0 259.397 2.510 20 0 CFADRP CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422902879 529216994 /nfs/dbraw/zinc/21/69/94/529216994.db2.gz DVRHOCVDPUFNMP-GJZGRUSLSA-N 2 0 269.477 2.604 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H]([NH3+])CC(C)C)C1 ZINC000414715572 529219540 /nfs/dbraw/zinc/21/95/40/529219540.db2.gz YUJZMKFOHUIIBW-MGPQQGTHSA-N 2 0 258.475 2.966 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422848383 529368822 /nfs/dbraw/zinc/36/88/22/529368822.db2.gz JWJDHPMCKAZIHH-XNRPHZJLSA-N 2 0 280.387 2.700 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449648190 535322809 /nfs/dbraw/zinc/32/28/09/535322809.db2.gz QITAPUPBNIKPDB-CVEARBPZSA-N 2 0 297.487 2.522 20 0 CFADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)COC)cc1 ZINC000268762243 535553556 /nfs/dbraw/zinc/55/35/56/535553556.db2.gz HUCLHIIEAKCKRI-HNNXBMFYSA-N 2 0 294.439 2.532 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446886577 535899492 /nfs/dbraw/zinc/89/94/92/535899492.db2.gz HDYDNWOIHBEBIU-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194550168 536033719 /nfs/dbraw/zinc/03/37/19/536033719.db2.gz GEWHUPNOGXFBAD-INIZCTEOSA-N 2 0 260.381 2.531 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000261788779 536037525 /nfs/dbraw/zinc/03/75/25/536037525.db2.gz XOBWTHBJTLUEJH-HOCLYGCPSA-N 2 0 289.423 2.594 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc2C1 ZINC000359227279 536323290 /nfs/dbraw/zinc/32/32/90/536323290.db2.gz WFYIDZHDPILDCO-GOSISDBHSA-N 2 0 272.436 2.865 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000459794877 536384859 /nfs/dbraw/zinc/38/48/59/536384859.db2.gz UUUIZSHNEXEGCI-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc([C@@H](C)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435435479 536884538 /nfs/dbraw/zinc/88/45/38/536884538.db2.gz BKUGTZQBJCYADQ-HOCLYGCPSA-N 2 0 276.424 2.873 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459738612 536890857 /nfs/dbraw/zinc/89/08/57/536890857.db2.gz RZTBXSYEOJUFPT-AWEZNQCLSA-N 2 0 292.423 2.525 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000268724366 536947075 /nfs/dbraw/zinc/94/70/75/536947075.db2.gz JUPYTUNZSGUIDU-INIZCTEOSA-N 2 0 274.408 2.758 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C\c1ccccc1)C2 ZINC000382018644 545563470 /nfs/dbraw/zinc/56/34/70/545563470.db2.gz OSMLYVPULJCAQI-YZNPXCOXSA-N 2 0 256.393 2.761 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166257011 545572335 /nfs/dbraw/zinc/57/23/35/545572335.db2.gz POHVBGUBOUAPAH-IAGOWNOFSA-N 2 0 288.435 2.844 20 0 CFADRP C[Si](C)(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000729268184 574195388 /nfs/dbraw/zinc/19/53/88/574195388.db2.gz POOJSVSVEOVXEL-UHFFFAOYSA-N 2 0 254.494 2.814 20 0 CFADRP Cc1ncc(C[NH2+]CCCCCCC[NH+]2CCCC2)cn1 ZINC000729682343 574227513 /nfs/dbraw/zinc/22/75/13/574227513.db2.gz RBRHYJJMCZSVPT-UHFFFAOYSA-N 2 0 290.455 2.921 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251526384 574265774 /nfs/dbraw/zinc/26/57/74/574265774.db2.gz AECZVSCPDPLTRV-IUODEOHRSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H](CC[NH2+]C1CSC1)[N@H+](C)Cc1ccccc1 ZINC000396467907 574355746 /nfs/dbraw/zinc/35/57/46/574355746.db2.gz XWBSYNQNXKJKIC-CYBMUJFWSA-N 2 0 264.438 2.602 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000743251383 574355846 /nfs/dbraw/zinc/35/58/46/574355846.db2.gz OTQGTDAJNGKLCC-MRXNPFEDSA-N 2 0 296.842 2.837 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CO ZINC000398151991 574363070 /nfs/dbraw/zinc/36/30/70/574363070.db2.gz YXCWQRLVYNHUQF-NVXWUHKLSA-N 2 0 290.451 2.505 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000891543962 617657236 /nfs/dbraw/zinc/65/72/36/617657236.db2.gz VKRAJKSZXIEOEH-UHFFFAOYSA-N 2 0 283.419 2.868 20 0 CFADRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2)CCCCC1 ZINC000066242607 617680790 /nfs/dbraw/zinc/68/07/90/617680790.db2.gz WEBPNMHJEQPFNJ-UHFFFAOYSA-N 2 0 274.412 2.887 20 0 CFADRP C[C@@H]1Cc2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2O1 ZINC000891670499 617702173 /nfs/dbraw/zinc/70/21/73/617702173.db2.gz JVYJIIINKHVNTO-ZBFHGGJFSA-N 2 0 288.435 2.784 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccnn2C2CCC2)CC1 ZINC000891776289 617747141 /nfs/dbraw/zinc/74/71/41/617747141.db2.gz ZMFLVDNRIOUESM-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP COc1ccc2[nH+]ccc(N3CCC([NH+](C)C)CC3)c2c1 ZINC000891780254 617748486 /nfs/dbraw/zinc/74/84/86/617748486.db2.gz VRVQZNQRMCJVDU-UHFFFAOYSA-N 2 0 285.391 2.774 20 0 CFADRP C[C@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733313 617762235 /nfs/dbraw/zinc/76/22/35/617762235.db2.gz IAKSWYMYNLALJM-YHUYYLMFSA-N 2 0 250.430 2.696 20 0 CFADRP CC(C)[N@H+](C)CC1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000891913395 617822480 /nfs/dbraw/zinc/82/24/80/617822480.db2.gz WCARFOMYBFVVFQ-UHFFFAOYSA-N 2 0 296.846 2.874 20 0 CFADRP C1C(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1[NH+]1CCCCC1 ZINC000926337407 617918445 /nfs/dbraw/zinc/91/84/45/617918445.db2.gz OJACMMVDRRVVLO-FOIPXRHGSA-N 2 0 291.483 2.610 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC000892076184 617940462 /nfs/dbraw/zinc/94/04/62/617940462.db2.gz SLRNMDZOVKARGV-UHFFFAOYSA-N 2 0 283.375 2.528 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892110815 617956344 /nfs/dbraw/zinc/95/63/44/617956344.db2.gz GCWOOQGUZYFKSQ-AWEZNQCLSA-N 2 0 258.409 2.775 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(OC)ncc2F)CC1 ZINC000672603502 618020023 /nfs/dbraw/zinc/02/00/23/618020023.db2.gz DVSTVYZFIPPLDD-GFCCVEGCSA-N 2 0 295.402 2.612 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(F)c1F ZINC000235182613 618098476 /nfs/dbraw/zinc/09/84/76/618098476.db2.gz PJRRKZGSVXQUQH-KPPDAEKUSA-N 2 0 254.324 2.885 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000051919688 618104878 /nfs/dbraw/zinc/10/48/78/618104878.db2.gz YOOOKIFINMVKOU-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000235320527 618109415 /nfs/dbraw/zinc/10/94/15/618109415.db2.gz ZNAXXFIGUQWKQU-OCCSQVGLSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cnn(C2CCC2)c1 ZINC000926450879 618128264 /nfs/dbraw/zinc/12/82/64/618128264.db2.gz SRVHHCPJRFYTMR-WCQYABFASA-N 2 0 285.395 2.539 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CCCCC[NH+]3CCCC3)C2)CO1 ZINC000926487674 618155975 /nfs/dbraw/zinc/15/59/75/618155975.db2.gz OMCMSLNTCRVSCC-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1csc(C[C@H]2CC[N@H+](CCn3ccnc3C)C2)n1 ZINC000933124727 618160195 /nfs/dbraw/zinc/16/01/95/618160195.db2.gz AXENHNIQZMHVTG-CQSZACIVSA-N 2 0 290.436 2.521 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926538918 618189427 /nfs/dbraw/zinc/18/94/27/618189427.db2.gz DWMNAPONGHCXNO-MOTUXRJWSA-N 2 0 268.445 2.531 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000093491512 618200565 /nfs/dbraw/zinc/20/05/65/618200565.db2.gz YWDKUIRSBHIFRX-HZSPNIEDSA-N 2 0 279.453 2.586 20 0 CFADRP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000250197498 618209468 /nfs/dbraw/zinc/20/94/68/618209468.db2.gz YWDKUIRSBHIFRX-MGPQQGTHSA-N 2 0 279.453 2.586 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000926571711 618216529 /nfs/dbraw/zinc/21/65/29/618216529.db2.gz ASEKRMFIACUUDC-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309691243 618232933 /nfs/dbraw/zinc/23/29/33/618232933.db2.gz CVSMKJOBQFIAEB-PVAVHDDUSA-N 2 0 258.409 2.897 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C2CC2)cc1 ZINC000925572837 618253796 /nfs/dbraw/zinc/25/37/96/618253796.db2.gz RUSOMJHFSOHAQI-XNIJUTNWSA-N 2 0 282.431 2.594 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C2CC2)cc1 ZINC000925572841 618254024 /nfs/dbraw/zinc/25/40/24/618254024.db2.gz RUSOMJHFSOHAQI-XREYTECCSA-N 2 0 282.431 2.594 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925574001 618254947 /nfs/dbraw/zinc/25/49/47/618254947.db2.gz QYLXLXHCEVHVFQ-KZNAEPCWSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925105127 618259733 /nfs/dbraw/zinc/25/97/33/618259733.db2.gz YYQJAXWPOAWTEY-ZLIFDBKOSA-N 2 0 291.439 2.829 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925576676 618259998 /nfs/dbraw/zinc/25/99/98/618259998.db2.gz YQESSIYNACPFPL-HOCLYGCPSA-N 2 0 278.440 2.853 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925586238 618271003 /nfs/dbraw/zinc/27/10/03/618271003.db2.gz YJRZTPHUIKQJPU-STQMWFEESA-N 2 0 280.387 2.830 20 0 CFADRP c1ccc(C2(N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CCC2)cc1 ZINC000925586335 618272375 /nfs/dbraw/zinc/27/23/75/618272375.db2.gz CHMGNZFTXKZECI-XSIBGMEISA-N 2 0 268.404 2.652 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1(C2CC2)CC1 ZINC000925591231 618276850 /nfs/dbraw/zinc/27/68/50/618276850.db2.gz YWJBYDBEJJLWGJ-HOTGVXAUSA-N 2 0 262.441 2.935 20 0 CFADRP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925601470 618288184 /nfs/dbraw/zinc/28/81/84/618288184.db2.gz ZUCFXVIQMFSPBJ-PMPSAXMXSA-N 2 0 276.424 2.870 20 0 CFADRP FC(F)Oc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262118930 618290721 /nfs/dbraw/zinc/29/07/21/618290721.db2.gz XERCDROYEYILOV-UHFFFAOYSA-N 2 0 296.361 2.864 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925605055 618293655 /nfs/dbraw/zinc/29/36/55/618293655.db2.gz DBMVGOJTSIIXRN-HONMWMINSA-N 2 0 279.428 2.891 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Nc1ccccc1 ZINC000925607969 618297336 /nfs/dbraw/zinc/29/73/36/618297336.db2.gz DXDOHWIWRDJGDG-YESZJQIVSA-N 2 0 287.451 2.983 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925610000 618305419 /nfs/dbraw/zinc/30/54/19/618305419.db2.gz CCTHYERUPUNWBY-ZIAGYGMSSA-N 2 0 270.461 2.813 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)[C@H]2CCSC2)CC1 ZINC000895110485 618306629 /nfs/dbraw/zinc/30/66/29/618306629.db2.gz NBVBQSJFIYLSSM-IHRRRGAJSA-N 2 0 277.437 2.663 20 0 CFADRP CCCC(O)(CCC)CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925611075 618308977 /nfs/dbraw/zinc/30/89/77/618308977.db2.gz KFWGOBWMBSPIBE-ZBFHGGJFSA-N 2 0 278.440 2.996 20 0 CFADRP C[C@H]1CSC[C@@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113135 618313619 /nfs/dbraw/zinc/31/36/19/618313619.db2.gz UARCYEXATUTHKC-AJNGGQMLSA-N 2 0 291.464 2.909 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615299 618319981 /nfs/dbraw/zinc/31/99/81/618319981.db2.gz YUHZIJZLDMBELQ-SJLPKXTDSA-N 2 0 289.467 2.788 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615298 618320421 /nfs/dbraw/zinc/32/04/21/618320421.db2.gz YUHZIJZLDMBELQ-FUHWJXTLSA-N 2 0 289.467 2.788 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618539 618329083 /nfs/dbraw/zinc/32/90/83/618329083.db2.gz IOGQGAKLMUFHCR-NDBYEHHHSA-N 2 0 272.383 2.931 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925622908 618341460 /nfs/dbraw/zinc/34/14/60/618341460.db2.gz QPGZKCRYKRDXNL-CVEARBPZSA-N 2 0 288.435 2.832 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925623751 618344167 /nfs/dbraw/zinc/34/41/67/618344167.db2.gz SNQZMSYFIJOKGG-DJIMGWMZSA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925626281 618348888 /nfs/dbraw/zinc/34/88/88/618348888.db2.gz PIBCDFFAZIVMRR-QWHCGFSZSA-N 2 0 256.459 2.625 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CCO1 ZINC000925628192 618354448 /nfs/dbraw/zinc/35/44/48/618354448.db2.gz HFCFZQMMQOHSBV-ILXRZTDVSA-N 2 0 268.445 2.700 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000926652083 618359549 /nfs/dbraw/zinc/35/95/49/618359549.db2.gz VPXZULYQZSTDKO-PJIALRRASA-N 2 0 274.811 2.621 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](Cc1ccccc1)Cc1cccnc1 ZINC000924538106 618363863 /nfs/dbraw/zinc/36/38/63/618363863.db2.gz FJIOEFFJMBXQEZ-IBGZPJMESA-N 2 0 297.446 2.777 20 0 CFADRP C[N@H+](CCCNC(=[NH2+])NC1CCCC1)C1CCCCC1 ZINC000052047561 618371232 /nfs/dbraw/zinc/37/12/32/618371232.db2.gz KUEHWPAMKYKZSF-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP Fc1cccc(NCCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925637588 618371345 /nfs/dbraw/zinc/37/13/45/618371345.db2.gz ODQKNASPFQLYRJ-MRXNPFEDSA-N 2 0 291.414 2.892 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccccc1 ZINC000925640206 618376370 /nfs/dbraw/zinc/37/63/70/618376370.db2.gz GUUBDXPHFFZMPE-HZPDHXFCSA-N 2 0 288.391 2.773 20 0 CFADRP CSCCCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925643912 618384465 /nfs/dbraw/zinc/38/44/65/618384465.db2.gz LYSVVFTWRZMDBN-CYBMUJFWSA-N 2 0 256.459 2.784 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926668182 618386091 /nfs/dbraw/zinc/38/60/91/618386091.db2.gz WHPXNMHCOVLGQP-SJORKVTESA-N 2 0 293.499 2.810 20 0 CFADRP C[C@@H](CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000925648177 618394302 /nfs/dbraw/zinc/39/43/02/618394302.db2.gz PXHXHXAWYJPXBX-VVLHAWIVSA-N 2 0 293.499 2.617 20 0 CFADRP CCOC1CC(CC[NH2+][C@H](c2ccccc2)[C@H](C)N)C1 ZINC000925649828 618400760 /nfs/dbraw/zinc/40/07/60/618400760.db2.gz PCNFMEXLGRGZMB-DXCHVLGVSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCc2ccccc21 ZINC000895165697 618416715 /nfs/dbraw/zinc/41/67/15/618416715.db2.gz MDXWJBUYDGFSBX-HNNXBMFYSA-N 2 0 272.436 2.990 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925662793 618426680 /nfs/dbraw/zinc/42/66/80/618426680.db2.gz LKVDMQDUQVCKJH-ZWKOTPCHSA-N 2 0 287.451 2.690 20 0 CFADRP Cc1ccnc(N)c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000894180046 618429641 /nfs/dbraw/zinc/42/96/41/618429641.db2.gz IMLAEDDTIIKXIM-OAHLLOKOSA-N 2 0 290.455 2.716 20 0 CFADRP Cc1ncoc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000894180812 618430409 /nfs/dbraw/zinc/43/04/09/618430409.db2.gz MIDQSRBNAVXQFR-ZIAGYGMSSA-N 2 0 279.428 2.831 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000925665354 618430901 /nfs/dbraw/zinc/43/09/01/618430901.db2.gz DMYTXYTZRZYWTK-ZLVKTETGSA-N 2 0 294.483 2.946 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000893346484 618432272 /nfs/dbraw/zinc/43/22/72/618432272.db2.gz RUZCTWZKQJENJC-CQSZACIVSA-N 2 0 292.427 2.576 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925677293 618450497 /nfs/dbraw/zinc/45/04/97/618450497.db2.gz SEMNBSIBMMIRNH-ZOBUZTSGSA-N 2 0 277.456 2.785 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925677354 618451395 /nfs/dbraw/zinc/45/13/95/618451395.db2.gz UHEOALHDUFPTMB-CVEARBPZSA-N 2 0 256.393 2.732 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C12CCC2 ZINC000925678571 618456344 /nfs/dbraw/zinc/45/63/44/618456344.db2.gz VWYUXGVMLDUROS-VGWMRTNUSA-N 2 0 256.393 2.650 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)OC ZINC000925679675 618458311 /nfs/dbraw/zinc/45/83/11/618458311.db2.gz LGUITIOEUZEMEP-CRWXNKLISA-N 2 0 256.434 2.543 20 0 CFADRP Cc1csc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925680097 618459841 /nfs/dbraw/zinc/45/98/41/618459841.db2.gz HKKIRRDHDQDWPL-RDBSUJKOSA-N 2 0 264.438 2.923 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925680806 618460578 /nfs/dbraw/zinc/46/05/78/618460578.db2.gz USKWKNYCDNDCGJ-IKGGRYGDSA-N 2 0 290.451 2.740 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925680807 618461051 /nfs/dbraw/zinc/46/10/51/618461051.db2.gz USKWKNYCDNDCGJ-ULQDDVLXSA-N 2 0 290.451 2.740 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925683729 618467789 /nfs/dbraw/zinc/46/77/89/618467789.db2.gz VFXBJUGOXGASEG-BQJWPVKWSA-N 2 0 294.483 2.804 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000053658881 618470151 /nfs/dbraw/zinc/47/01/51/618470151.db2.gz BYPFZFCOVQZULM-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC2CCCC2)C1 ZINC000066244623 618471331 /nfs/dbraw/zinc/47/13/31/618471331.db2.gz MEBOXCFGWXGOSF-ZDUSSCGKSA-N 2 0 280.460 2.553 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC2CCCC2)C1 ZINC000066244622 618471630 /nfs/dbraw/zinc/47/16/30/618471630.db2.gz MEBOXCFGWXGOSF-CYBMUJFWSA-N 2 0 280.460 2.553 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)C2)c1 ZINC000925684482 618472263 /nfs/dbraw/zinc/47/22/63/618472263.db2.gz AMKDTVNCZGTDSW-NXNVCVFFSA-N 2 0 286.419 2.801 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1 ZINC000925684590 618474774 /nfs/dbraw/zinc/47/47/74/618474774.db2.gz IGNUHQJUMXZVFG-ZWKOTPCHSA-N 2 0 287.451 2.690 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000925685692 618480035 /nfs/dbraw/zinc/48/00/35/618480035.db2.gz MGYXEQOPZDBFIK-OCNJKBGOSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@H](C[NH2+]CC[C@H](C)[NH+](C)C)c1cc(F)cc(F)c1 ZINC000895291685 618511972 /nfs/dbraw/zinc/51/19/72/618511972.db2.gz AXLLTZNSVRDBJY-NEPJUHHUSA-N 2 0 270.367 2.998 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1O ZINC000895294656 618513992 /nfs/dbraw/zinc/51/39/92/618513992.db2.gz ZHCAEZPXECXUOC-KBPBESRZSA-N 2 0 294.439 2.652 20 0 CFADRP COCCC1(C[NH2+]CC[C@@H](C)[NH+](C)C)CCCCC1 ZINC000895293701 618516539 /nfs/dbraw/zinc/51/65/39/618516539.db2.gz JOBWUIJHCURFBW-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H](CCNC1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000895297478 618518853 /nfs/dbraw/zinc/51/88/53/618518853.db2.gz WWLFLEAFQDGUGL-OAHLLOKOSA-N 2 0 281.488 2.713 20 0 CFADRP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000895376787 618555851 /nfs/dbraw/zinc/55/58/51/618555851.db2.gz JSIJIRCRHKLKJP-WMLDXEAASA-N 2 0 275.440 2.942 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1)[NH+](C)C ZINC000895428146 618576880 /nfs/dbraw/zinc/57/68/80/618576880.db2.gz GHFYXLVVBIIWRY-DZKIICNBSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@H]([NH2+]CC1CSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895422199 618582968 /nfs/dbraw/zinc/58/29/68/618582968.db2.gz VJSKVSVAUWOWBX-WMLDXEAASA-N 2 0 290.476 2.850 20 0 CFADRP Cc1ncoc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000895457010 618595820 /nfs/dbraw/zinc/59/58/20/618595820.db2.gz KNZUCCRHSUELAK-UHFFFAOYSA-N 2 0 299.418 2.736 20 0 CFADRP Cc1nc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)sc1C ZINC000895474420 618602671 /nfs/dbraw/zinc/60/26/71/618602671.db2.gz UXKIYGHLBRVGSH-UHFFFAOYSA-N 2 0 293.480 2.972 20 0 CFADRP CCN(CC)[C@H](C[NH2+]CC1CC[NH+](C)CC1)CC(C)C ZINC000892535474 618617801 /nfs/dbraw/zinc/61/78/01/618617801.db2.gz MFXMLRGJQPIPRX-KRWDZBQOSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000924571296 618619451 /nfs/dbraw/zinc/61/94/51/618619451.db2.gz FGYRWMOIPHWHOA-JKSUJKDBSA-N 2 0 275.440 2.867 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000924572460 618620895 /nfs/dbraw/zinc/62/08/95/618620895.db2.gz KRHNLDDREDLVHY-KGLIPLIRSA-N 2 0 277.412 2.702 20 0 CFADRP CCOCc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000892555686 618631446 /nfs/dbraw/zinc/63/14/46/618631446.db2.gz VLQYNUYSBSGEMZ-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CSCCS1 ZINC000229590598 618635935 /nfs/dbraw/zinc/63/59/35/618635935.db2.gz JMQHXZKSHCPLCE-MGPQQGTHSA-N 2 0 288.526 2.735 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000926753845 618636105 /nfs/dbraw/zinc/63/61/05/618636105.db2.gz KNGREMUPRSDBHO-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(c3ccc(F)cc3)CC2)CC1 ZINC000892606035 618650814 /nfs/dbraw/zinc/65/08/14/618650814.db2.gz WNQZGKKYNWXOFM-UHFFFAOYSA-N 2 0 276.399 2.789 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924578071 618651306 /nfs/dbraw/zinc/65/13/06/618651306.db2.gz OXKUHMKYVVAJCX-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)C1(Br)CC1 ZINC000924578990 618655573 /nfs/dbraw/zinc/65/55/73/618655573.db2.gz SIXMRSJKCBYDFR-LBPRGKRZSA-N 2 0 289.261 2.768 20 0 CFADRP CCCSC[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000892623853 618659311 /nfs/dbraw/zinc/65/93/11/618659311.db2.gz QXFIXQTWKVYYFL-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000924580492 618663840 /nfs/dbraw/zinc/66/38/40/618663840.db2.gz XRMOGOGETCDDEC-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](COc1cccc(F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892659297 618679787 /nfs/dbraw/zinc/67/97/87/618679787.db2.gz ZNLVONCGJYMFCZ-ZDUSSCGKSA-N 2 0 280.387 2.524 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000892667739 618685776 /nfs/dbraw/zinc/68/57/76/618685776.db2.gz ACVXAMOBLQTZSI-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC000178245634 618706287 /nfs/dbraw/zinc/70/62/87/618706287.db2.gz IRRRVJZIDPTJIM-GOSISDBHSA-N 2 0 290.451 2.747 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000892688187 618710493 /nfs/dbraw/zinc/71/04/93/618710493.db2.gz ZYLWVJZWYDEQFT-ROUUACIJSA-N 2 0 288.435 2.838 20 0 CFADRP C(C[C@@H]1CCOC1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000783637081 618719619 /nfs/dbraw/zinc/71/96/19/618719619.db2.gz CTUZBGXFOOGYCU-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP COC1CCC(C[NH2+]C[C@@H](C)N2CCC(C)CC2)CC1 ZINC000892739517 618737648 /nfs/dbraw/zinc/73/76/48/618737648.db2.gz HSDVHUALGLDRTM-KLAILNCOSA-N 2 0 282.472 2.902 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000892745363 618738057 /nfs/dbraw/zinc/73/80/57/618738057.db2.gz OXFXUKLFFVDNJU-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP Cc1nn(C(C)C)c(C)c1CNC[C@H]1CCC[N@H+](C)C1 ZINC000892946562 618778185 /nfs/dbraw/zinc/77/81/85/618778185.db2.gz GJYWASNZNUMVAX-OAHLLOKOSA-N 2 0 278.444 2.512 20 0 CFADRP CCN(CC)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000309832204 618807479 /nfs/dbraw/zinc/80/74/79/618807479.db2.gz SNFKZHBHQULIAR-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnc1F ZINC000893084932 618826374 /nfs/dbraw/zinc/82/63/74/618826374.db2.gz BSJUOLNIMVNWHM-GOOCMWNKSA-N 2 0 277.387 2.634 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000893086259 618826861 /nfs/dbraw/zinc/82/68/61/618826861.db2.gz MVIMSBWPFAXEEY-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925504400 618832663 /nfs/dbraw/zinc/83/26/63/618832663.db2.gz MPDDJMDAGSBDNF-IOASZLSFSA-N 2 0 288.439 2.658 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@@H](C[NH+](C)C)C3)c2c1 ZINC000893118362 618837506 /nfs/dbraw/zinc/83/75/06/618837506.db2.gz CXJJCDRDDOVGSN-ZDUSSCGKSA-N 2 0 285.391 2.631 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000925510316 618847126 /nfs/dbraw/zinc/84/71/26/618847126.db2.gz UTRYOAZQIAJPEJ-KFKAGJAMSA-N 2 0 297.446 2.967 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCSc1ccccc1 ZINC000925516949 618855707 /nfs/dbraw/zinc/85/57/07/618855707.db2.gz VNVCOOQCYWFLHR-KKNUOHPOSA-N 2 0 276.449 2.884 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925520896 618859701 /nfs/dbraw/zinc/85/97/01/618859701.db2.gz AUDOFFRTJLKXQD-POQQGIQPSA-N 2 0 268.470 2.637 20 0 CFADRP c1cc(CN[C@@H]2CC[NH2+]C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000925525779 618871101 /nfs/dbraw/zinc/87/11/01/618871101.db2.gz DTTPRYFYGGZXMT-GOSISDBHSA-N 2 0 299.462 2.657 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccsc1 ZINC000925526953 618872483 /nfs/dbraw/zinc/87/24/83/618872483.db2.gz NFXYQYROSALMSF-RBSFLKMASA-N 2 0 295.496 2.846 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925526687 618872826 /nfs/dbraw/zinc/87/28/26/618872826.db2.gz OKVDTSGMQMRSPJ-IKGGRYGDSA-N 2 0 288.435 2.699 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925526865 618873373 /nfs/dbraw/zinc/87/33/73/618873373.db2.gz KOGVWDYAIXIUKP-UONOGXRCSA-N 2 0 270.486 2.886 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925527198 618873903 /nfs/dbraw/zinc/87/39/03/618873903.db2.gz MTKJZPJCCXFHRJ-LSDHHAIUSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000925530780 618882785 /nfs/dbraw/zinc/88/27/85/618882785.db2.gz UHTCNFKTUAMYSC-IAGOWNOFSA-N 2 0 291.483 2.643 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](C3CCCC3)CC1)[NH2+]2 ZINC000925534840 618888833 /nfs/dbraw/zinc/88/88/33/618888833.db2.gz QCGVIBNAKPJSQY-PLYYQAHHSA-N 2 0 291.483 2.512 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925536188 618890275 /nfs/dbraw/zinc/89/02/75/618890275.db2.gz CBXAVJULZSCALS-HZPDHXFCSA-N 2 0 274.408 2.583 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCOc2ccc(F)cc2)C12CCC2 ZINC000925537853 618893028 /nfs/dbraw/zinc/89/30/28/618893028.db2.gz OLPYUSJGAWUTTE-CVEARBPZSA-N 2 0 292.398 2.844 20 0 CFADRP Cc1csc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925538902 618895652 /nfs/dbraw/zinc/89/56/52/618895652.db2.gz UNQBUEUYDFSKSG-KGLIPLIRSA-N 2 0 279.453 2.709 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925541018 618899386 /nfs/dbraw/zinc/89/93/86/618899386.db2.gz ACNWDFJNEDFIJG-IXDOHACOSA-N 2 0 293.499 2.602 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925544124 618903779 /nfs/dbraw/zinc/90/37/79/618903779.db2.gz YNOWLGJJPNKQHQ-SNPRPXQTSA-N 2 0 261.413 2.508 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925550657 618911756 /nfs/dbraw/zinc/91/17/56/618911756.db2.gz MWXXDUBQKYVOHR-NXHRZFHOSA-N 2 0 293.499 2.619 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000893265844 618916125 /nfs/dbraw/zinc/91/61/25/618916125.db2.gz URPCRSOUFGFQDY-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CCCS1 ZINC000925553494 618916201 /nfs/dbraw/zinc/91/62/01/618916201.db2.gz SVIMIJZHBVJUBW-KKUMJFAQSA-N 2 0 268.470 2.640 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000309996015 618929184 /nfs/dbraw/zinc/92/91/84/618929184.db2.gz BSTQWEFFVPWVKC-DLBZAZTESA-N 2 0 276.424 2.666 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000925689774 618932359 /nfs/dbraw/zinc/93/23/59/618932359.db2.gz ILTJSWJSBYOBBY-PVAVHDDUSA-N 2 0 276.424 2.607 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925690490 618934893 /nfs/dbraw/zinc/93/48/93/618934893.db2.gz GNPDDWQDDGGFFG-DLBZAZTESA-N 2 0 287.451 2.684 20 0 CFADRP COC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925691720 618936657 /nfs/dbraw/zinc/93/66/57/618936657.db2.gz IYUHTDGMXWPUPP-BACDZXNISA-N 2 0 280.456 2.702 20 0 CFADRP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925693935 618940614 /nfs/dbraw/zinc/94/06/14/618940614.db2.gz STXOLCGVAHEROT-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)CC(F)(F)F ZINC000925695977 618947661 /nfs/dbraw/zinc/94/76/61/618947661.db2.gz IXPCHIJDZIOQDB-QWRGUYRKSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC(F)(F)F ZINC000925695990 618947749 /nfs/dbraw/zinc/94/77/49/618947749.db2.gz IXPCHIJDZIOQDB-WDEREUQCSA-N 2 0 264.335 2.839 20 0 CFADRP Cc1cnc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925702062 618954896 /nfs/dbraw/zinc/95/48/96/618954896.db2.gz KEEIBLBACCMWQJ-GJZGRUSLSA-N 2 0 275.440 2.737 20 0 CFADRP CC1(C)C[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]([NH3+])C1 ZINC000925704795 618958595 /nfs/dbraw/zinc/95/85/95/618958595.db2.gz FIOJCYPXWJYSOS-OAGGEKHMSA-N 2 0 293.499 2.889 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C[C@]1(F)Cl ZINC000925706299 618960837 /nfs/dbraw/zinc/96/08/37/618960837.db2.gz CCFBMJOQLDFJKN-NTZNESFSSA-N 2 0 260.784 2.565 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925706792 618960982 /nfs/dbraw/zinc/96/09/82/618960982.db2.gz KNDHNICNYPOXNV-CABCVRRESA-N 2 0 261.413 2.573 20 0 CFADRP CC1CCC(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000678258859 618961384 /nfs/dbraw/zinc/96/13/84/618961384.db2.gz PWSWFMVNOZNWHS-ABHNRTSZSA-N 2 0 293.499 2.525 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925712739 618966795 /nfs/dbraw/zinc/96/67/95/618966795.db2.gz IRGNZQRMHUIVNE-MHVXSEJMSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253856 618967238 /nfs/dbraw/zinc/96/72/38/618967238.db2.gz TZBXVNYQPVJWNH-MXWKQRLJSA-N 2 0 265.228 2.820 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)F ZINC000925713857 618968099 /nfs/dbraw/zinc/96/80/99/618968099.db2.gz VHRVWWZDFRRJLI-AAXDQBDMSA-N 2 0 260.372 2.644 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925714057 618969188 /nfs/dbraw/zinc/96/91/88/618969188.db2.gz NJMZZOXMIKNAKO-GJZGRUSLSA-N 2 0 281.488 2.699 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925714058 618969563 /nfs/dbraw/zinc/96/95/63/618969563.db2.gz NJMZZOXMIKNAKO-HUUCEWRRSA-N 2 0 281.488 2.699 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2CCC(F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925714435 618970162 /nfs/dbraw/zinc/97/01/62/618970162.db2.gz YSESCZDDASOCPJ-IPOFZDNWSA-N 2 0 268.420 2.881 20 0 CFADRP COc1cccc(C2([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)CCC2)c1 ZINC000925716389 618974224 /nfs/dbraw/zinc/97/42/24/618974224.db2.gz PQJZSIXTUMVWMV-HOTGVXAUSA-N 2 0 286.419 2.934 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3c(F)cccc3Cl)C[C@@H]2C1 ZINC000931435198 618974763 /nfs/dbraw/zinc/97/47/63/618974763.db2.gz IQBVHBAXMNRRSA-OLZOCXBDSA-N 2 0 296.817 2.905 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1COCC1(C)C)C1CCCCC1 ZINC000313103156 618974863 /nfs/dbraw/zinc/97/48/63/618974863.db2.gz IEJBJSPOKIYKPU-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000093210446 618989962 /nfs/dbraw/zinc/98/99/62/618989962.db2.gz DEZHIEMAAXOHKF-NWDGAFQWSA-N 2 0 270.323 2.648 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893486592 619016086 /nfs/dbraw/zinc/01/60/86/619016086.db2.gz BZDMDMGCMLBOQD-MHAAMQRSSA-N 2 0 294.483 2.923 20 0 CFADRP Nc1cc[nH+]c2c1CN(CC[C@@H]1CCCC1(F)F)CC2 ZINC000931515855 619019518 /nfs/dbraw/zinc/01/95/18/619019518.db2.gz DSFJCEUWVFNSQJ-NSHDSACASA-N 2 0 281.350 2.847 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]([NH3+])C1 ZINC000925736131 619045521 /nfs/dbraw/zinc/04/55/21/619045521.db2.gz ZKOYILPZGKGJLK-FZKCQIBNSA-N 2 0 280.456 2.545 20 0 CFADRP C[C@H](N)[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000925736176 619045711 /nfs/dbraw/zinc/04/57/11/619045711.db2.gz ZPLZGLPZLJWUAD-VNCIIQTRSA-N 2 0 289.467 2.927 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925736792 619046124 /nfs/dbraw/zinc/04/61/24/619046124.db2.gz CFIKUXGNLJKBPK-LBPRGKRZSA-N 2 0 266.360 2.539 20 0 CFADRP C[C@H]1[C@H]([NH2+]CCC(C)(C)[NH3+])CCCN1Cc1ccccc1 ZINC000925736781 619046171 /nfs/dbraw/zinc/04/61/71/619046171.db2.gz CEFIXGKDLURLTR-DOTOQJQBSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1c2ccccc2CC[C@@H]1F ZINC000925771122 619083820 /nfs/dbraw/zinc/08/38/20/619083820.db2.gz MRIQVKFIMUTYAU-GVARAGBVSA-N 2 0 250.361 2.727 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925773221 619089439 /nfs/dbraw/zinc/08/94/39/619089439.db2.gz AIKSRTOHUOJRGQ-KFWWJZLASA-N 2 0 266.429 2.585 20 0 CFADRP C[N@@H+](CCc1ccccc1F)CC[C@@H]1CCC[NH2+]C1 ZINC000259167384 619094513 /nfs/dbraw/zinc/09/45/13/619094513.db2.gz YILOVBISVSKPIT-AWEZNQCLSA-N 2 0 264.388 2.690 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000925776875 619097649 /nfs/dbraw/zinc/09/76/49/619097649.db2.gz NDNFIUQBUCWZPE-HOTGVXAUSA-N 2 0 294.389 2.768 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C12CCC2 ZINC000925778290 619100406 /nfs/dbraw/zinc/10/04/06/619100406.db2.gz JRAYIAMBDGRGEB-KKUMJFAQSA-N 2 0 260.356 2.673 20 0 CFADRP CC(C)n1cc2c(n1)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000893620410 619103795 /nfs/dbraw/zinc/10/37/95/619103795.db2.gz BDSQIKHGCVJJND-INIZCTEOSA-N 2 0 290.455 2.773 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000094368444 619105534 /nfs/dbraw/zinc/10/55/34/619105534.db2.gz UWSCCNDODLKHQA-LSDHHAIUSA-N 2 0 278.440 2.552 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(C)c1OC ZINC000925785848 619110777 /nfs/dbraw/zinc/11/07/77/619110777.db2.gz OVXNWQRWIRPGPQ-XBFCOCLRSA-N 2 0 292.423 2.518 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796446 619119259 /nfs/dbraw/zinc/11/92/59/619119259.db2.gz KNDNWASJIITWMQ-UMVBOHGHSA-N 2 0 261.413 2.540 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925800525 619121535 /nfs/dbraw/zinc/12/15/35/619121535.db2.gz SKRMBACCPWKANJ-RTXFEEFZSA-N 2 0 279.453 2.664 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925801794 619122410 /nfs/dbraw/zinc/12/24/10/619122410.db2.gz XGOXUVJUGOKGGA-JHJVBQTASA-N 2 0 258.475 2.742 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000925802408 619122671 /nfs/dbraw/zinc/12/26/71/619122671.db2.gz GBHAOSALUYNJCC-BARDWOONSA-N 2 0 256.409 2.740 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H]2CCO[C@@H]21 ZINC000925809045 619128118 /nfs/dbraw/zinc/12/81/18/619128118.db2.gz QULJHYARVQFASL-ZACQAIPSSA-N 2 0 294.483 2.950 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc21 ZINC000925811750 619130342 /nfs/dbraw/zinc/13/03/42/619130342.db2.gz JSROBBLFRPKRNP-ZIAGYGMSSA-N 2 0 286.423 2.569 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925822949 619144013 /nfs/dbraw/zinc/14/40/13/619144013.db2.gz MNBJWSRGELYRTK-NSCXZMNLSA-N 2 0 262.441 2.789 20 0 CFADRP C[NH+]1CCC2(CCCN(c3cc(N)[nH+]cc3Cl)C2)CC1 ZINC000893669311 619151279 /nfs/dbraw/zinc/15/12/79/619151279.db2.gz VZVFRBQNMFDQHN-UHFFFAOYSA-N 2 0 294.830 2.629 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925834196 619165348 /nfs/dbraw/zinc/16/53/48/619165348.db2.gz XBUJWGKVZQNKBX-REWJHTLYSA-N 2 0 290.373 2.943 20 0 CFADRP Cc1c(Br)cccc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000925834735 619166136 /nfs/dbraw/zinc/16/61/36/619166136.db2.gz OKTQTUTXLJOJPS-ZIAGYGMSSA-N 2 0 297.240 2.769 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925836171 619167901 /nfs/dbraw/zinc/16/79/01/619167901.db2.gz XKEZWRDTJVNDCY-WMLDXEAASA-N 2 0 283.419 2.755 20 0 CFADRP COc1ccccc1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261575607 619172409 /nfs/dbraw/zinc/17/24/09/619172409.db2.gz ZEIZEJSIXQIHSP-KGLIPLIRSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000261597247 619174349 /nfs/dbraw/zinc/17/43/49/619174349.db2.gz OWPQYRYCLJZIBU-GWCFXTLKSA-N 2 0 272.314 2.793 20 0 CFADRP FCCC[C@H]1CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846935 619179432 /nfs/dbraw/zinc/17/94/32/619179432.db2.gz PWFLZAZANOQNSG-IAGOWNOFSA-N 2 0 299.478 2.570 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000925860679 619187237 /nfs/dbraw/zinc/18/72/37/619187237.db2.gz JLZLEWBWUBKJPY-GBJTYRQASA-N 2 0 280.481 2.782 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000925872966 619193189 /nfs/dbraw/zinc/19/31/89/619193189.db2.gz CCQVTMQJLLRHDR-YLFCFFPRSA-N 2 0 282.472 2.805 20 0 CFADRP COC[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H](C)N)C(C)C ZINC000925873585 619194918 /nfs/dbraw/zinc/19/49/18/619194918.db2.gz JSZRWJXGUYBKCV-VNQPRFMTSA-N 2 0 264.413 2.583 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000925874541 619195673 /nfs/dbraw/zinc/19/56/73/619195673.db2.gz SSKHMPQCQUJLNB-FGTMMUONSA-N 2 0 288.435 2.811 20 0 CFADRP Cc1cc(F)c(C[NH2+]C2CCC([NH3+])CC2)c(F)c1 ZINC000925875361 619196236 /nfs/dbraw/zinc/19/62/36/619196236.db2.gz RSEWJJZDBRWLJI-UHFFFAOYSA-N 2 0 254.324 2.633 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000925876727 619197461 /nfs/dbraw/zinc/19/74/61/619197461.db2.gz GMTOUXQJOKTOKA-FOGDFJRCSA-N 2 0 254.324 2.743 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879698 619199580 /nfs/dbraw/zinc/19/95/80/619199580.db2.gz INXUDPABPIDEBX-DVOMOZLQSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000925880355 619200509 /nfs/dbraw/zinc/20/05/09/619200509.db2.gz PUTWVBRSUHDLOK-CFVMTHIKSA-N 2 0 276.428 2.748 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880397 619200562 /nfs/dbraw/zinc/20/05/62/619200562.db2.gz QYWNSUOXGGJHJU-BMFZPTHFSA-N 2 0 261.413 2.510 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1OCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000925882137 619201955 /nfs/dbraw/zinc/20/19/55/619201955.db2.gz XNWRCIKZMBKMKU-QILLFSRXSA-N 2 0 288.435 2.668 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925888367 619205435 /nfs/dbraw/zinc/20/54/35/619205435.db2.gz BNVSCPHSOMPKEI-VXGBXAGGSA-N 2 0 265.401 2.541 20 0 CFADRP COc1ccc(CC(C)(C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000893886498 619235959 /nfs/dbraw/zinc/23/59/59/619235959.db2.gz UZDHNULNBPPXRI-UHFFFAOYSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(C)(C)O)cc1 ZINC000925008143 619329656 /nfs/dbraw/zinc/32/96/56/619329656.db2.gz BYVKLLTVMODWAX-GJZGRUSLSA-N 2 0 290.451 2.906 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCSCc1ccccc1 ZINC000261940615 619336097 /nfs/dbraw/zinc/33/60/97/619336097.db2.gz MODLLWMNNRCLNC-ZFWWWQNUSA-N 2 0 264.438 2.589 20 0 CFADRP CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925039143 619352892 /nfs/dbraw/zinc/35/28/92/619352892.db2.gz AYGVPBLZCZQUMV-RHSMWYFYSA-N 2 0 278.440 2.950 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000894385853 619362167 /nfs/dbraw/zinc/36/21/67/619362167.db2.gz VUQGWYBUBWSJSJ-KRWDZBQOSA-N 2 0 288.435 2.797 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000262018901 619376714 /nfs/dbraw/zinc/37/67/14/619376714.db2.gz VYLXHSGHMZPUOA-UKRRQHHQSA-N 2 0 262.397 2.563 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000894455426 619390879 /nfs/dbraw/zinc/39/08/79/619390879.db2.gz KJEIKEHFVCGCDX-KBPBESRZSA-N 2 0 258.475 2.838 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1OC ZINC000894455473 619390918 /nfs/dbraw/zinc/39/09/18/619390918.db2.gz KTFONOBRKULFQJ-OAGGEKHMSA-N 2 0 282.472 2.900 20 0 CFADRP CCn1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c2ccccc21 ZINC000262037109 619401161 /nfs/dbraw/zinc/40/11/61/619401161.db2.gz OSEZSBMECYFXMP-UHFFFAOYSA-N 2 0 298.434 2.632 20 0 CFADRP COC1CCC(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)CC1 ZINC000894495873 619402729 /nfs/dbraw/zinc/40/27/29/619402729.db2.gz MILDGKBBZYUYMQ-ODZFXCKXSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+]1CCC(CNc2cc3c(c[nH+]2)CCCC3)CC1 ZINC000894572210 619421955 /nfs/dbraw/zinc/42/19/55/619421955.db2.gz GGUMHGYZPOECAB-UHFFFAOYSA-N 2 0 259.397 2.714 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000894726413 619451146 /nfs/dbraw/zinc/45/11/46/619451146.db2.gz TUXYDVCTBOJLHU-SJORKVTESA-N 2 0 292.467 2.609 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000894741629 619455632 /nfs/dbraw/zinc/45/56/32/619455632.db2.gz HXQMCIXIPJWHSW-LBPRGKRZSA-N 2 0 279.255 2.892 20 0 CFADRP C[N@H+](CCCC[NH2+]CCc1ccc(F)c(F)c1)C1CC1 ZINC000894807023 619471310 /nfs/dbraw/zinc/47/13/10/619471310.db2.gz NDZUTRLVIMJTAU-UHFFFAOYSA-N 2 0 282.378 2.971 20 0 CFADRP Cc1ccccc1CC1C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000894820318 619472755 /nfs/dbraw/zinc/47/27/55/619472755.db2.gz NNZBIWFDZNFFFR-UHFFFAOYSA-N 2 0 272.436 2.811 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925096260 619503823 /nfs/dbraw/zinc/50/38/23/619503823.db2.gz XKVDPDKVANBOTC-VLWBHCEFSA-N 2 0 292.467 2.656 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000894932299 619513502 /nfs/dbraw/zinc/51/35/02/619513502.db2.gz JPVURTUKULXQPH-WMZOPIPTSA-N 2 0 288.435 2.730 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000894978381 619521122 /nfs/dbraw/zinc/52/11/22/619521122.db2.gz XVXUJYMJUXVKQR-CYBMUJFWSA-N 2 0 278.362 2.993 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)c2c1 ZINC000895022109 619529069 /nfs/dbraw/zinc/52/90/69/619529069.db2.gz KNLGJSDQRNXDTB-GUYCJALGSA-N 2 0 297.402 2.774 20 0 CFADRP CCOc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000895471778 619539817 /nfs/dbraw/zinc/53/98/17/619539817.db2.gz AIYOZNSCMMSCTA-UHFFFAOYSA-N 2 0 292.423 2.890 20 0 CFADRP Cn1cnc2cc(CN3CCC(C)([NH+]4CCC4)CC3)ccc21 ZINC000895670446 619582266 /nfs/dbraw/zinc/58/22/66/619582266.db2.gz ILWPBFCFHOJUDS-UHFFFAOYSA-N 2 0 298.434 2.634 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)OC ZINC000895671783 619582754 /nfs/dbraw/zinc/58/27/54/619582754.db2.gz OPBPKEMYMLYZKV-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP CCC[C@H](C[N@H+](C)CCCC[NH+]1CCCCC1)OC ZINC000895683248 619585687 /nfs/dbraw/zinc/58/56/87/619585687.db2.gz KIRKMBWUCPRYPG-MRXNPFEDSA-N 2 0 270.461 2.999 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC[C@@H]1CCO1 ZINC000895683656 619585896 /nfs/dbraw/zinc/58/58/96/619585896.db2.gz RCOKEMCPWXWWGS-MRXNPFEDSA-N 2 0 268.445 2.753 20 0 CFADRP Cc1ncoc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683467 619585970 /nfs/dbraw/zinc/58/59/70/619585970.db2.gz LUKKKHAKVWIAEL-UHFFFAOYSA-N 2 0 265.401 2.681 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)CC1 ZINC000895820870 619614947 /nfs/dbraw/zinc/61/49/47/619614947.db2.gz AVFQVLSRAHYGAY-KRWDZBQOSA-N 2 0 280.456 2.752 20 0 CFADRP FC1(F)CCC[C@H]1CCN1CCC2(CC[NH2+]2)CC1 ZINC000883433381 619757331 /nfs/dbraw/zinc/75/73/31/619757331.db2.gz OPOHXJPUXZSUCV-LBPRGKRZSA-N 2 0 258.356 2.640 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccnc1 ZINC000896717711 619797465 /nfs/dbraw/zinc/79/74/65/619797465.db2.gz WFIDAZFUFLHNFK-XBVQOTNRSA-N 2 0 273.424 2.853 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCn2ccc3ccccc32)CC1 ZINC000054240395 619855868 /nfs/dbraw/zinc/85/58/68/619855868.db2.gz KPLCLMOTYQAAFB-UHFFFAOYSA-N 2 0 285.435 2.963 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925150163 619979925 /nfs/dbraw/zinc/97/99/25/619979925.db2.gz GRIICMKZPZPHEC-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CC[NH+](C4CCCC4)CC3)C2)CO1 ZINC000925221922 620035946 /nfs/dbraw/zinc/03/59/46/620035946.db2.gz RMSXGEHPJWCZTJ-NXVRBGIVSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000897417830 620112271 /nfs/dbraw/zinc/11/22/71/620112271.db2.gz ARVYZKWDJINHES-IOASZLSFSA-N 2 0 274.408 2.755 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000897453070 620174636 /nfs/dbraw/zinc/17/46/36/620174636.db2.gz ZYTHCLWZOKYODJ-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925308248 620241581 /nfs/dbraw/zinc/24/15/81/620241581.db2.gz PDSNJQZOKMSNFM-JKSUJKDBSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1F ZINC000841032019 620258237 /nfs/dbraw/zinc/25/82/37/620258237.db2.gz GOJSPLCNMOUTNF-UHFFFAOYSA-N 2 0 272.367 2.925 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4cc[nH]c43)C[C@]2(C)C1 ZINC000897621654 620260456 /nfs/dbraw/zinc/26/04/56/620260456.db2.gz MKCQDHSVYOCUHR-WBVHZDCISA-N 2 0 269.392 2.551 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621870 620261352 /nfs/dbraw/zinc/26/13/52/620261352.db2.gz XGOMFGQDLUENSD-YYIAUSFCSA-N 2 0 262.441 2.862 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc[nH+]1 ZINC000897957997 620311733 /nfs/dbraw/zinc/31/17/33/620311733.db2.gz GEJQBOXNDIWACP-XOKHGSTOSA-N 2 0 271.408 2.829 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017468 620323592 /nfs/dbraw/zinc/32/35/92/620323592.db2.gz NHKUBMSACHGVOJ-YRGRVCCFSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C(C)(C)O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898123377 620336969 /nfs/dbraw/zinc/33/69/69/620336969.db2.gz VSNWPFXVOPCINY-VYDXJSESSA-N 2 0 290.451 2.646 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)(C)O ZINC000898126455 620337428 /nfs/dbraw/zinc/33/74/28/620337428.db2.gz SHPBOMVZJIHPFS-DZKIICNBSA-N 2 0 282.472 2.779 20 0 CFADRP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCCC1 ZINC000898259565 620359387 /nfs/dbraw/zinc/35/93/87/620359387.db2.gz MUYKJQIGMSWKGJ-MQVJKMGUSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000898375343 620377235 /nfs/dbraw/zinc/37/72/35/620377235.db2.gz DFVYFQSUVCAFMH-SJORKVTESA-N 2 0 280.456 2.512 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000089139305 620406151 /nfs/dbraw/zinc/40/61/51/620406151.db2.gz MQZBTVWIMAKACM-BXUZGUMPSA-N 2 0 252.789 2.947 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866706020 620416305 /nfs/dbraw/zinc/41/63/05/620416305.db2.gz DZYOEKKXSJMRRC-HNNXBMFYSA-N 2 0 281.469 2.957 20 0 CFADRP Clc1ccnc2c1CC[C@@H]2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000924645801 620431347 /nfs/dbraw/zinc/43/13/47/620431347.db2.gz AHNZDVSJIPNVFI-NHYWBVRUSA-N 2 0 291.826 2.796 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCS[C@H](C)C2)CC1 ZINC000927033494 620443755 /nfs/dbraw/zinc/44/37/55/620443755.db2.gz SVIBGEFFSFLIAB-TZMCWYRMSA-N 2 0 256.459 2.733 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873274068 620442197 /nfs/dbraw/zinc/44/21/97/620442197.db2.gz RLAFQJATBRFRDO-WRWGMCAJSA-N 2 0 262.319 2.743 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)nn1C ZINC000927039310 620445299 /nfs/dbraw/zinc/44/52/99/620445299.db2.gz UJTKBBHVGURKLY-UQPPLGOBSA-N 2 0 290.455 2.786 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(C)c32)C1 ZINC000924707282 620448105 /nfs/dbraw/zinc/44/81/05/620448105.db2.gz TYXFBWMQLRRUEX-GOEBONIOSA-N 2 0 258.409 2.914 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000924712461 620450586 /nfs/dbraw/zinc/45/05/86/620450586.db2.gz BGLRRWWRNFXWMP-XHSDSOJGSA-N 2 0 270.461 2.638 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1 ZINC000927114477 620454747 /nfs/dbraw/zinc/45/47/47/620454747.db2.gz GCMOERQEXDUZEW-GOSISDBHSA-N 2 0 288.435 2.766 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000924750641 620524074 /nfs/dbraw/zinc/52/40/74/620524074.db2.gz GTZBUKVALVZZSS-PBHICJAKSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]Cc1cc(-c2ccc3c(c2)CC[C@@H]([NH3+])C3)ccc1F ZINC000899322040 620543361 /nfs/dbraw/zinc/54/33/61/620543361.db2.gz CEGRRVYZQUEFFR-MRXNPFEDSA-N 2 0 270.351 2.767 20 0 CFADRP COc1ccc(-c2ccc3c(c2)CC[C@H]([NH3+])C3)c(C[NH3+])c1 ZINC000899323207 620543530 /nfs/dbraw/zinc/54/35/30/620543530.db2.gz OOXSDAMILFUJEI-INIZCTEOSA-N 2 0 282.387 2.637 20 0 CFADRP C[NH+](C)Cc1cccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)c1 ZINC000899324976 620543777 /nfs/dbraw/zinc/54/37/77/620543777.db2.gz SNGKKDWRLMRBRI-SFHVURJKSA-N 2 0 266.388 2.841 20 0 CFADRP [NH3+]Cc1ncc(-c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000899320317 620544936 /nfs/dbraw/zinc/54/49/36/620544936.db2.gz YRPPXMXJNUFOTN-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc(C34CCC(CC3)[NH2+]4)n2)cc1 ZINC000900004979 620621725 /nfs/dbraw/zinc/62/17/25/620621725.db2.gz VKDVLHRGHUGEOX-UHFFFAOYSA-N 2 0 298.390 2.539 20 0 CFADRP CNc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000902302696 621027454 /nfs/dbraw/zinc/02/74/54/621027454.db2.gz WZMACDJUNMDJAW-LSDHHAIUSA-N 2 0 261.413 2.691 20 0 CFADRP CNc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000902302686 621027519 /nfs/dbraw/zinc/02/75/19/621027519.db2.gz WZMACDJUNMDJAW-CABCVRRESA-N 2 0 261.413 2.691 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000902317010 621031520 /nfs/dbraw/zinc/03/15/20/621031520.db2.gz BKWZUMZDALFJIB-HUUCEWRRSA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCCS1 ZINC000902345862 621034308 /nfs/dbraw/zinc/03/43/08/621034308.db2.gz MUOOIAMILPSRGW-JSGCOSHPSA-N 2 0 256.459 2.640 20 0 CFADRP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1F ZINC000902347748 621035246 /nfs/dbraw/zinc/03/52/46/621035246.db2.gz VBLDPPUWCBZYIC-CJNGLKHVSA-N 2 0 298.377 2.904 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902328355 621037719 /nfs/dbraw/zinc/03/77/19/621037719.db2.gz HGKBPQYCWIATBJ-CZUORRHYSA-N 2 0 276.424 2.608 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333233 621039896 /nfs/dbraw/zinc/03/98/96/621039896.db2.gz IQBPBYOMSUHMCQ-STQMWFEESA-N 2 0 258.475 2.886 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902336000 621040839 /nfs/dbraw/zinc/04/08/39/621040839.db2.gz VQDFDVNXOFMBEC-LSDHHAIUSA-N 2 0 270.461 2.805 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902377510 621047320 /nfs/dbraw/zinc/04/73/20/621047320.db2.gz RBTINVPDCABJDL-NHYWBVRUSA-N 2 0 286.366 2.759 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360208 621052646 /nfs/dbraw/zinc/05/26/46/621052646.db2.gz JWJHHPMIONKTQW-CQSZACIVSA-N 2 0 270.461 2.686 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC000902362286 621053663 /nfs/dbraw/zinc/05/36/63/621053663.db2.gz PQVAHAMVAMICOD-DZOHQFGASA-N 2 0 284.447 2.940 20 0 CFADRP [NH3+]C1(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000902407811 621056611 /nfs/dbraw/zinc/05/66/11/621056611.db2.gz VFKGAJBISUVNCF-KURKYZTESA-N 2 0 299.462 2.511 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902381967 621058920 /nfs/dbraw/zinc/05/89/20/621058920.db2.gz AFJPVUOWAIGVHA-DLBZAZTESA-N 2 0 290.451 2.705 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384767 621060127 /nfs/dbraw/zinc/06/01/27/621060127.db2.gz ORVXGHRXLMSIRT-CQSZACIVSA-N 2 0 270.461 2.807 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902385581 621060366 /nfs/dbraw/zinc/06/03/66/621060366.db2.gz WBOTZWFZBBUDPX-DLBZAZTESA-N 2 0 290.451 2.650 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Cc1ccccc1 ZINC000902388234 621061553 /nfs/dbraw/zinc/06/15/53/621061553.db2.gz NXJKDFIKSFXYGI-IRXDYDNUSA-N 2 0 290.451 2.612 20 0 CFADRP Cc1ccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)nc1C ZINC000902391655 621062754 /nfs/dbraw/zinc/06/27/54/621062754.db2.gz YZLDFRITHHAXON-AWEZNQCLSA-N 2 0 261.413 2.566 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)C1 ZINC000902393209 621063415 /nfs/dbraw/zinc/06/34/15/621063415.db2.gz NMKJERMVNMCQJU-MRXNPFEDSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392512 621063666 /nfs/dbraw/zinc/06/36/66/621063666.db2.gz ISMDELRIKBNQJE-MLGOLLRUSA-N 3 0 299.409 2.852 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902395626 621065036 /nfs/dbraw/zinc/06/50/36/621065036.db2.gz CYKLFHBRUSTHBA-HZPDHXFCSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902400104 621066644 /nfs/dbraw/zinc/06/66/44/621066644.db2.gz YBVWJRISINOANT-KRWDZBQOSA-N 3 0 295.515 2.865 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)C1 ZINC000902398929 621066871 /nfs/dbraw/zinc/06/68/71/621066871.db2.gz MBQGIIXMYSFSIP-VBNZEHGJSA-N 2 0 274.408 2.533 20 0 CFADRP CCSC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902400522 621067344 /nfs/dbraw/zinc/06/73/44/621067344.db2.gz RVJVWMVYDPBUEF-LBPRGKRZSA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1(F)F ZINC000902400997 621067600 /nfs/dbraw/zinc/06/76/00/621067600.db2.gz ZCPNUMYIKOMWBV-QWRGUYRKSA-N 2 0 260.372 2.646 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC(Nc3ccccc3)C2)C1 ZINC000902402801 621068111 /nfs/dbraw/zinc/06/81/11/621068111.db2.gz CVRMAVRMOFSVSZ-KLAILNCOSA-N 2 0 287.451 2.997 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CC1)C1(c2ccccc2)CCCC1 ZINC000902403744 621068577 /nfs/dbraw/zinc/06/85/77/621068577.db2.gz AVYIUBYPSLUEQG-CQSZACIVSA-N 2 0 258.409 2.968 20 0 CFADRP CNc1ccccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000902403554 621068634 /nfs/dbraw/zinc/06/86/34/621068634.db2.gz ILHCVNHPZHICNL-UHFFFAOYSA-N 2 0 275.440 2.938 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000902403275 621068830 /nfs/dbraw/zinc/06/88/30/621068830.db2.gz QXEOYGYFMQXJRG-GJZGRUSLSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)c2ccccc12 ZINC000902415263 621070129 /nfs/dbraw/zinc/07/01/29/621070129.db2.gz MQYVBYQYNAWRBL-LBPRGKRZSA-N 2 0 270.376 2.990 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000902428962 621075926 /nfs/dbraw/zinc/07/59/26/621075926.db2.gz IQJFSXNVKANAEC-FZMZJTMJSA-N 2 0 282.815 2.956 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000902430143 621076486 /nfs/dbraw/zinc/07/64/86/621076486.db2.gz OZXXTCUUCQCOQH-IECFSIQFSA-N 2 0 292.467 2.844 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902429399 621076587 /nfs/dbraw/zinc/07/65/87/621076587.db2.gz KLCPQPQVMJDFDD-WCVJEAGWSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000902433920 621078657 /nfs/dbraw/zinc/07/86/57/621078657.db2.gz VLBGZDWJVOLNED-LSDHHAIUSA-N 2 0 282.472 2.935 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CCOCC1 ZINC000902434683 621078764 /nfs/dbraw/zinc/07/87/64/621078764.db2.gz ZCQNXJWQZZSVHZ-HNNXBMFYSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000902435797 621079233 /nfs/dbraw/zinc/07/92/33/621079233.db2.gz UZPKGZNCBYIYOG-FVVUREQNSA-N 2 0 299.462 2.512 20 0 CFADRP [NH3+][C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000902435799 621079263 /nfs/dbraw/zinc/07/92/63/621079263.db2.gz UZPKGZNCBYIYOG-RHQZKXFESA-N 2 0 299.462 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)[C@H]1CCCC[NH2+]1 ZINC000902450353 621091183 /nfs/dbraw/zinc/09/11/83/621091183.db2.gz CYKRXQRNRSEHHV-YNEHKIRRSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H]([NH2+]CCC1CCC(F)(F)CC1)[C@H]1CCC[NH2+]1 ZINC000902453702 621093228 /nfs/dbraw/zinc/09/32/28/621093228.db2.gz DXBYKLOWZMGYPK-DGCLKSJQSA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902454115 621093740 /nfs/dbraw/zinc/09/37/40/621093740.db2.gz FVJYHIHITITZPP-OLZOCXBDSA-N 2 0 260.372 2.919 20 0 CFADRP C1[C@H]2CCC[C@@H]2[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902455760 621094067 /nfs/dbraw/zinc/09/40/67/621094067.db2.gz MSIQNOYOSYRDQB-JSRQGNBESA-N 2 0 262.441 2.933 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCS1 ZINC000902455222 621094407 /nfs/dbraw/zinc/09/44/07/621094407.db2.gz WXFOCQUPMHSFJD-JHJVBQTASA-N 2 0 256.459 2.910 20 0 CFADRP FC1(F)CCC(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000902457983 621094763 /nfs/dbraw/zinc/09/47/63/621094763.db2.gz WFPXTRMHXLCAOY-BTFPBAQTSA-N 2 0 284.394 2.788 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)CC3 ZINC000902486108 621111560 /nfs/dbraw/zinc/11/15/60/621111560.db2.gz PQVACSOZKACVTL-MGPQQGTHSA-N 2 0 283.419 2.661 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000902486595 621111910 /nfs/dbraw/zinc/11/19/10/621111910.db2.gz QWOMDCKLIUHKFI-PYTWLRIVSA-N 2 0 292.398 2.620 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000902486832 621111926 /nfs/dbraw/zinc/11/19/26/621111926.db2.gz CQTQVKIPOAMBFE-KWBADKCTSA-N 2 0 283.213 2.837 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000902487741 621112489 /nfs/dbraw/zinc/11/24/89/621112489.db2.gz MBTUCFMAJZWKFK-NQMVMOMDSA-N 2 0 288.222 2.964 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000902487777 621112535 /nfs/dbraw/zinc/11/25/35/621112535.db2.gz MHMNIAHSKWXMIK-BHDSKKPTSA-N 2 0 250.773 2.654 20 0 CFADRP Cc1nc2ccccn2c1CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000902514158 621115013 /nfs/dbraw/zinc/11/50/13/621115013.db2.gz RHULABINHYAWSS-COXVUDFISA-N 2 0 298.434 2.509 20 0 CFADRP Cc1nc2ccccn2c1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000902515208 621115121 /nfs/dbraw/zinc/11/51/21/621115121.db2.gz UPSNTKOTVGDWBF-HOTGVXAUSA-N 2 0 292.386 2.877 20 0 CFADRP Cc1nc2ccccn2c1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000902514159 621115323 /nfs/dbraw/zinc/11/53/23/621115323.db2.gz RHULABINHYAWSS-XOKHGSTOSA-N 2 0 298.434 2.509 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902521362 621116315 /nfs/dbraw/zinc/11/63/15/621116315.db2.gz RMRNDYXQSOQGFP-OXXUSNJHSA-N 2 0 288.435 2.545 20 0 CFADRP CC(C)N(CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902724524 621158402 /nfs/dbraw/zinc/15/84/02/621158402.db2.gz BIZXARIOBXFNEB-FIDHJVLJSA-N 2 0 280.456 2.508 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902736556 621161768 /nfs/dbraw/zinc/16/17/68/621161768.db2.gz VFHDURILCJPKAC-RDJZCZTQSA-N 2 0 290.451 2.946 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902752581 621164600 /nfs/dbraw/zinc/16/46/00/621164600.db2.gz KNNDKSANQVMKCX-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902761664 621167557 /nfs/dbraw/zinc/16/75/57/621167557.db2.gz WHQCYRPELZTXBG-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902780721 621172274 /nfs/dbraw/zinc/17/22/74/621172274.db2.gz PTXHZUGDCHDMBF-DJIMGWMZSA-N 2 0 282.472 2.902 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902808491 621175645 /nfs/dbraw/zinc/17/56/45/621175645.db2.gz JNQHYTDFROARQZ-CUSZFKRNSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902793519 621178135 /nfs/dbraw/zinc/17/81/35/621178135.db2.gz JRUFWLMLYNXAJP-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902897575 621197025 /nfs/dbraw/zinc/19/70/25/621197025.db2.gz UFAUBCFKINBXAS-ZWKOTPCHSA-N 2 0 292.467 2.823 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000903014893 621222020 /nfs/dbraw/zinc/22/20/20/621222020.db2.gz AOUPJJBWZHNUQB-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000902998343 621224386 /nfs/dbraw/zinc/22/43/86/621224386.db2.gz CNUMPQSZNHZHDF-HOCLYGCPSA-N 2 0 270.461 2.615 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1CCOCC1 ZINC000903043252 621233012 /nfs/dbraw/zinc/23/30/12/621233012.db2.gz SSDGJJHRAIOXMM-UAGQMJEPSA-N 2 0 282.472 2.758 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903071504 621250510 /nfs/dbraw/zinc/25/05/10/621250510.db2.gz CUUSOHPQKZYOLD-ZBFHGGJFSA-N 2 0 290.455 2.676 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000903073759 621250961 /nfs/dbraw/zinc/25/09/61/621250961.db2.gz QFAIVLVQZRPKMA-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCC[C@@H]3OCC[C@@H]31)C2 ZINC000903112302 621255787 /nfs/dbraw/zinc/25/57/87/621255787.db2.gz MWKLRRMIDVCSLY-SCHIXFRSSA-N 2 0 290.451 2.691 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCCSC1)C2 ZINC000903107166 621255878 /nfs/dbraw/zinc/25/58/78/621255878.db2.gz NERIEULTYKYHNS-YPRXJGMQSA-N 2 0 266.454 2.629 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903110333 621256959 /nfs/dbraw/zinc/25/69/59/621256959.db2.gz NQOXPTAVKKWOIW-IXCHPVQKSA-N 2 0 278.440 2.547 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903128503 621262923 /nfs/dbraw/zinc/26/29/23/621262923.db2.gz ZWVJDEJCADPWCY-WYQXTGKHSA-N 2 0 278.440 2.691 20 0 CFADRP CC[C@H](CSC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903130834 621263490 /nfs/dbraw/zinc/26/34/90/621263490.db2.gz FFBVTTJVIUWEGT-IKKMQULASA-N 2 0 268.470 2.875 20 0 CFADRP c1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C2CC2)nc1 ZINC000903161746 621271416 /nfs/dbraw/zinc/27/14/16/621271416.db2.gz XBLQJLCRTRFOGP-SFHVURJKSA-N 2 0 285.435 2.997 20 0 CFADRP c1ccc2c(c1)CC([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903151197 621273520 /nfs/dbraw/zinc/27/35/20/621273520.db2.gz DIEXWCYVIQXGRV-JLYLLQBASA-N 2 0 282.431 2.901 20 0 CFADRP CC(F)(F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903177365 621275121 /nfs/dbraw/zinc/27/51/21/621275121.db2.gz LTVLXMWIUXBPIH-VGPLMAKISA-N 2 0 258.356 2.779 20 0 CFADRP CC[C@@H](C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903194041 621280885 /nfs/dbraw/zinc/28/08/85/621280885.db2.gz IYTPMLTWQIDEKP-JVODVQKZSA-N 2 0 280.456 2.531 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903193537 621280951 /nfs/dbraw/zinc/28/09/51/621280951.db2.gz FKTOJXRDLBLTKF-SXLMRFEMSA-N 2 0 278.440 2.691 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(CC2CCC2)c1 ZINC000903195886 621281914 /nfs/dbraw/zinc/28/19/14/621281914.db2.gz CKEAEQCVUKFXJW-UNEWFSDZSA-N 2 0 290.455 2.674 20 0 CFADRP c1coc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903203157 621284552 /nfs/dbraw/zinc/28/45/52/621284552.db2.gz IPLCQUZQESJZQO-VHRNVKJDSA-N 2 0 274.408 2.960 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000903189862 621285947 /nfs/dbraw/zinc/28/59/47/621285947.db2.gz JOXWALQNHSVXDQ-YMAMQOFZSA-N 2 0 266.429 2.551 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903205400 621287597 /nfs/dbraw/zinc/28/75/97/621287597.db2.gz HXNLUGLNQGRDCZ-CRMUJIHISA-N 2 0 270.367 2.779 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000903252123 621299653 /nfs/dbraw/zinc/29/96/53/621299653.db2.gz APCOJDFESFOCHY-BLONOQDTSA-N 2 0 294.483 2.758 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000903283289 621306051 /nfs/dbraw/zinc/30/60/51/621306051.db2.gz JURALSZOCOGFHI-JSGCOSHPSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)C1CC[NH+](C)CC1 ZINC000903272290 621308726 /nfs/dbraw/zinc/30/87/26/621308726.db2.gz OIUGKRSTQWFODD-YLQAJVPDSA-N 2 0 292.398 2.778 20 0 CFADRP C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)C1CC[NH+](C)CC1 ZINC000903272289 621308753 /nfs/dbraw/zinc/30/87/53/621308753.db2.gz OIUGKRSTQWFODD-XGWLTEMNSA-N 2 0 292.398 2.778 20 0 CFADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CCC1 ZINC000903384635 621356485 /nfs/dbraw/zinc/35/64/85/621356485.db2.gz RYMGHZUIMPPKFM-CJNGLKHVSA-N 2 0 261.413 2.853 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000903400206 621367705 /nfs/dbraw/zinc/36/77/05/621367705.db2.gz MXVPLDYTEPXLEB-PBHICJAKSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426793 621370379 /nfs/dbraw/zinc/37/03/79/621370379.db2.gz NYGGLIFKVISUFC-OLZOCXBDSA-N 2 0 284.350 2.847 20 0 CFADRP COCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1ccccc1 ZINC000903430869 621372047 /nfs/dbraw/zinc/37/20/47/621372047.db2.gz FWBTZYSAZMBDDI-UXLLHSPISA-N 2 0 276.424 2.823 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903433070 621372672 /nfs/dbraw/zinc/37/26/72/621372672.db2.gz STHHVWDNXARLKC-IKGGRYGDSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440471 621377075 /nfs/dbraw/zinc/37/70/75/621377075.db2.gz ZDZWTRQXEHFYTJ-ABFRBSLYSA-N 2 0 258.409 2.992 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000903441258 621377949 /nfs/dbraw/zinc/37/79/49/621377949.db2.gz JTDUZGRQYMLPEA-ZBFHGGJFSA-N 2 0 260.425 2.843 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903459227 621380795 /nfs/dbraw/zinc/38/07/95/621380795.db2.gz SDBRDZCLSWAJMM-KGLIPLIRSA-N 2 0 290.398 2.640 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000903441862 621382863 /nfs/dbraw/zinc/38/28/63/621382863.db2.gz CNEKSAPJKFQCKZ-KEYYUXOJSA-N 2 0 298.434 2.566 20 0 CFADRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442040 621382901 /nfs/dbraw/zinc/38/29/01/621382901.db2.gz HAWSTVFWMSURFA-KEYYUXOJSA-N 2 0 298.434 2.838 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000903442011 621382973 /nfs/dbraw/zinc/38/29/73/621382973.db2.gz FPRMPHUMKLNPHS-KURKYZTESA-N 2 0 293.499 2.558 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C[C@@H]21 ZINC000903453653 621387408 /nfs/dbraw/zinc/38/74/08/621387408.db2.gz HAHAKBMVWWZXBE-LJIZCISZSA-N 2 0 298.421 2.989 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)cc1F ZINC000903474072 621389947 /nfs/dbraw/zinc/38/99/47/621389947.db2.gz HLLUDSLUYHTSGM-YUELXQCFSA-N 2 0 292.398 2.751 20 0 CFADRP COC[C@@H](C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)C(C)C ZINC000903476430 621390798 /nfs/dbraw/zinc/39/07/98/621390798.db2.gz WOTJCMJVOWROAF-ZBFHGGJFSA-N 2 0 270.461 2.602 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000903481478 621391926 /nfs/dbraw/zinc/39/19/26/621391926.db2.gz CYNVQBZNCLTILT-RWMBFGLXSA-N 2 0 280.362 2.882 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903482353 621392178 /nfs/dbraw/zinc/39/21/78/621392178.db2.gz DNTFUXCVLJEMBQ-AAVRWANBSA-N 2 0 280.362 2.751 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000903482072 621392324 /nfs/dbraw/zinc/39/23/24/621392324.db2.gz WLBQZVPNRCWWFF-AGIUHOORSA-N 2 0 280.362 2.610 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(F)(F)F)nc1 ZINC000903482381 621392417 /nfs/dbraw/zinc/39/24/17/621392417.db2.gz FQKLSMILPHZAOP-SCVCMEIPSA-N 2 0 287.329 2.607 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)nc1 ZINC000903482550 621392490 /nfs/dbraw/zinc/39/24/90/621392490.db2.gz KOLAJQYWYRZCBD-FOGDFJRCSA-N 2 0 287.329 2.878 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@]1(C)c1ccccc1 ZINC000903482781 621392878 /nfs/dbraw/zinc/39/28/78/621392878.db2.gz SRLDCVCBYJPSOS-VYDXJSESSA-N 2 0 258.409 2.853 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498670 621393990 /nfs/dbraw/zinc/39/39/90/621393990.db2.gz APLOUTJJUHXYMU-FRRDWIJNSA-N 2 0 279.428 2.950 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncccc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000903499821 621394304 /nfs/dbraw/zinc/39/43/04/621394304.db2.gz QFUMJOYJROGBQO-GHMZBOCLSA-N 2 0 287.329 2.517 20 0 CFADRP c1ccc([C@]23C[C@H]2C[N@@H+](CC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000903491169 621394765 /nfs/dbraw/zinc/39/47/65/621394765.db2.gz YIJLRFTUAQXFFR-BPQIPLTHSA-N 2 0 270.420 2.650 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)nc(Cl)c2)C[C@H]1CC[NH3+] ZINC000903496978 621394851 /nfs/dbraw/zinc/39/48/51/621394851.db2.gz LZPVEPHVFZCJCV-MWLCHTKSSA-N 2 0 288.222 2.805 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000903490940 621394954 /nfs/dbraw/zinc/39/49/54/621394954.db2.gz NYJDDOJIGVAERP-LLVKDONJSA-N 2 0 282.325 2.872 20 0 CFADRP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCCC1 ZINC000903718462 621425161 /nfs/dbraw/zinc/42/51/61/621425161.db2.gz MVKGTYYNWSFYCW-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903718405 621425453 /nfs/dbraw/zinc/42/54/53/621425453.db2.gz LZPHVWARCWMMIO-HNNXBMFYSA-N 2 0 290.407 2.627 20 0 CFADRP CC[N@@H+](Cc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718265 621425577 /nfs/dbraw/zinc/42/55/77/621425577.db2.gz JPWFZDJNBLXFDA-AWEZNQCLSA-N 2 0 294.464 2.729 20 0 CFADRP CCCC[NH+](CCCC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718039 621425631 /nfs/dbraw/zinc/42/56/31/621425631.db2.gz YKORKPSLJWLWPP-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718192 621425634 /nfs/dbraw/zinc/42/56/34/621425634.db2.gz IETIGWDWGDCIAR-QZTJIDSGSA-N 2 0 288.435 2.666 20 0 CFADRP CC[N@@H+](Cc1ccccc1C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723980 621427403 /nfs/dbraw/zinc/42/74/03/621427403.db2.gz KJCAVGVUHVBHQF-ZWKOTPCHSA-N 2 0 288.435 2.586 20 0 CFADRP CCC1(C)CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903725835 621428038 /nfs/dbraw/zinc/42/80/38/621428038.db2.gz IBQXBMOWHMDMPY-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@@]1(C)CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728891 621428849 /nfs/dbraw/zinc/42/88/49/621428849.db2.gz GXPHPSOPWGXIGY-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)C[C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903729387 621429722 /nfs/dbraw/zinc/42/97/22/621429722.db2.gz MAYNBAJPUFWSOF-CVEARBPZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903716017 621431045 /nfs/dbraw/zinc/43/10/45/621431045.db2.gz GBYKUSGOEBGUMQ-LBPRGKRZSA-N 2 0 250.361 2.715 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000903750113 621432535 /nfs/dbraw/zinc/43/25/35/621432535.db2.gz VCTRKBQXGSVYNC-HOTGVXAUSA-N 2 0 273.424 2.520 20 0 CFADRP C[C@@H](C1CCCCC1)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751509 621433171 /nfs/dbraw/zinc/43/31/71/621433171.db2.gz GASMHNPXBBPAAK-UAGQMJEPSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1ccccc1CF ZINC000903753721 621433273 /nfs/dbraw/zinc/43/32/73/621433273.db2.gz XPCMVBUUIRVHGS-XUJVJEKNSA-N 2 0 250.361 2.632 20 0 CFADRP CC[C@H]1CCCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734679 621433807 /nfs/dbraw/zinc/43/38/07/621433807.db2.gz UVUJYDZGVQVLQT-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000903733745 621433814 /nfs/dbraw/zinc/43/38/14/621433814.db2.gz MUZQGWNLGCVMQL-YYIAUSFCSA-N 2 0 294.483 2.902 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000903740369 621434976 /nfs/dbraw/zinc/43/49/76/621434976.db2.gz VBSJLYRXIODQMM-LXPRWKDFSA-N 2 0 293.499 2.572 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903764720 621436818 /nfs/dbraw/zinc/43/68/18/621436818.db2.gz VIXWKLWCFVMTDZ-RDJZCZTQSA-N 2 0 274.408 2.529 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000903766119 621437189 /nfs/dbraw/zinc/43/71/89/621437189.db2.gz OZUAAQPEPLANJU-SJORKVTESA-N 2 0 292.467 2.657 20 0 CFADRP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766858 621437260 /nfs/dbraw/zinc/43/72/60/621437260.db2.gz SMAFQBCDMSUCMV-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903765474 621437501 /nfs/dbraw/zinc/43/75/01/621437501.db2.gz IEPKMRFWUCBQPR-BZSNNMDCSA-N 2 0 292.467 2.800 20 0 CFADRP CC1(C)CCC(C)(C)[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769721 621438042 /nfs/dbraw/zinc/43/80/42/621438042.db2.gz MXWTWHOBYJJZLM-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)c1 ZINC000903755324 621438085 /nfs/dbraw/zinc/43/80/85/621438085.db2.gz FLWJCTOTNQFMOU-INIZCTEOSA-N 2 0 275.440 2.574 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757335 621438492 /nfs/dbraw/zinc/43/84/92/621438492.db2.gz CKMWBCBOAIQAAQ-LUKYLMHMSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903756914 621438505 /nfs/dbraw/zinc/43/85/05/621438505.db2.gz XDMDGFBSQMZXBE-HUUCEWRRSA-N 2 0 276.428 2.553 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000903757933 621438717 /nfs/dbraw/zinc/43/87/17/621438717.db2.gz IRPHOYXSMSFYSI-NJAFHUGGSA-N 2 0 288.435 2.744 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000903790543 621438824 /nfs/dbraw/zinc/43/88/24/621438824.db2.gz NMLZPJSVHPMIII-UHFFFAOYSA-N 2 0 291.439 2.750 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000903792544 621439026 /nfs/dbraw/zinc/43/90/26/621439026.db2.gz DIAOEGTZZRIGNS-QGZVFWFLSA-N 2 0 288.435 2.548 20 0 CFADRP C/C=C/C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775820 621439639 /nfs/dbraw/zinc/43/96/39/621439639.db2.gz ORLVDTDCKBAMNL-MLMMWPPISA-N 2 0 292.467 2.823 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2CF)C[C@H]1CC[NH3+] ZINC000903785363 621441745 /nfs/dbraw/zinc/44/17/45/621441745.db2.gz YRKSCKCRWIIVAA-TZMCWYRMSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H](O)CC2CCCC2)CCC1 ZINC000903811575 621446805 /nfs/dbraw/zinc/44/68/05/621446805.db2.gz NKMIYTODQIVQFF-SJORKVTESA-N 2 0 294.483 2.911 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(CCC3)CO2)CCC1 ZINC000903810766 621446858 /nfs/dbraw/zinc/44/68/58/621446858.db2.gz HNRSKOJMZGXSJA-HOTGVXAUSA-N 2 0 292.467 2.929 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCCCO2)CCC1 ZINC000903811219 621446913 /nfs/dbraw/zinc/44/69/13/621446913.db2.gz JZZRDMFFXFIEPZ-HOTGVXAUSA-N 2 0 280.456 2.929 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810694 621447106 /nfs/dbraw/zinc/44/71/06/621447106.db2.gz FLCNOXHOMNLWKF-MRXNPFEDSA-N 2 0 290.455 2.565 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@H](C3CC3)O2)CCC1 ZINC000903812990 621447615 /nfs/dbraw/zinc/44/76/15/621447615.db2.gz WWIYGOGXKSMAFI-BBWFWOEESA-N 2 0 292.467 2.928 20 0 CFADRP C[C@]12C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826500 621450390 /nfs/dbraw/zinc/45/03/90/621450390.db2.gz KOMSUQPUUDHOCZ-BPKGMFCQSA-N 2 0 260.425 2.520 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CCCCCC[NH3+])nc1 ZINC000903833438 621452515 /nfs/dbraw/zinc/45/25/15/621452515.db2.gz WQAQSHBEYQJUGY-MRXNPFEDSA-N 2 0 277.412 2.746 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000903841600 621453068 /nfs/dbraw/zinc/45/30/68/621453068.db2.gz YLCNWNKYHQSRPC-ITWBUVANSA-N 2 0 286.419 2.718 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000903841430 621453262 /nfs/dbraw/zinc/45/32/62/621453262.db2.gz XUWHHFOLHQWMLK-RNJOBUHISA-N 2 0 258.356 2.624 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903892042 621462362 /nfs/dbraw/zinc/46/23/62/621462362.db2.gz GAFHAGYUQFXFBS-WPXLMEDKSA-N 2 0 274.408 2.916 20 0 CFADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](CCO)c1ccccc1 ZINC000903895837 621466409 /nfs/dbraw/zinc/46/64/09/621466409.db2.gz QKZFEBGSYJNUSB-ONQFOCNCSA-N 2 0 288.435 2.573 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903898225 621466967 /nfs/dbraw/zinc/46/69/67/621466967.db2.gz MNOCLBIFBNVXBN-BMRXWSCTSA-N 2 0 280.481 2.877 20 0 CFADRP CCO[C@H]1C[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000903899824 621467695 /nfs/dbraw/zinc/46/76/95/621467695.db2.gz VXOLOUVIWRLPGG-VEDBGLOESA-N 2 0 292.467 2.797 20 0 CFADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918368 621472361 /nfs/dbraw/zinc/47/23/61/621472361.db2.gz XVJMNTGOLMKTTP-JVGWCMFKSA-N 2 0 276.346 2.790 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903921596 621473469 /nfs/dbraw/zinc/47/34/69/621473469.db2.gz PYCSRCFNMCEKLR-LBPRGKRZSA-N 2 0 299.418 2.658 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930295 621475887 /nfs/dbraw/zinc/47/58/87/621475887.db2.gz WPRQKIYKCTZHNP-CCNLRDMRSA-N 2 0 287.451 2.913 20 0 CFADRP Cc1csc([C@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903937471 621477852 /nfs/dbraw/zinc/47/78/52/621477852.db2.gz LMRMECBHMZXNIN-WIGRTHMWSA-N 2 0 291.464 2.771 20 0 CFADRP COc1ccc2oc(C[NH2+]CCC(C)(C)[NH3+])cc2c1 ZINC000903938698 621478036 /nfs/dbraw/zinc/47/80/36/621478036.db2.gz HSVGFFMSQLIVKR-UHFFFAOYSA-N 2 0 262.353 2.658 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957297 621478549 /nfs/dbraw/zinc/47/85/49/621478549.db2.gz PRQRAHXQYDPUGN-DGCLKSJQSA-N 2 0 286.341 2.591 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000903939992 621481726 /nfs/dbraw/zinc/48/17/26/621481726.db2.gz SIPUJDAXJJCSBQ-CYBMUJFWSA-N 2 0 264.413 2.733 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000903940822 621482170 /nfs/dbraw/zinc/48/21/70/621482170.db2.gz FLOWNRMOOIIWGK-UHFFFAOYSA-N 2 0 299.418 2.878 20 0 CFADRP CCC1([NH3+])CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000903949165 621486213 /nfs/dbraw/zinc/48/62/13/621486213.db2.gz ZMSNUTZDXNIHEP-HOTGVXAUSA-N 2 0 258.409 2.993 20 0 CFADRP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000903949163 621486396 /nfs/dbraw/zinc/48/63/96/621486396.db2.gz ZKETYCVWEDAAQC-RKYPPNDESA-N 2 0 288.410 2.990 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000903953896 621489687 /nfs/dbraw/zinc/48/96/87/621489687.db2.gz NFLZCMTXFYFUCG-GOEBONIOSA-N 2 0 293.480 2.706 20 0 CFADRP Cc1cccc(C)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955438 621490050 /nfs/dbraw/zinc/49/00/50/621490050.db2.gz RQTNMMAWKSALKL-CYBMUJFWSA-N 2 0 268.351 2.638 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000903956743 621490769 /nfs/dbraw/zinc/49/07/69/621490769.db2.gz NXHHPVCJUSTXKK-LPWJVIDDSA-N 2 0 260.372 2.646 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903974247 621492277 /nfs/dbraw/zinc/49/22/77/621492277.db2.gz NDXAVQHVDUEWLZ-GDBMZVCRSA-N 2 0 276.424 2.811 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000903973420 621492434 /nfs/dbraw/zinc/49/24/34/621492434.db2.gz CTYOYPMDJUFWPE-MIGQKNRLSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1Br ZINC000903974536 621492829 /nfs/dbraw/zinc/49/28/29/621492829.db2.gz PZIFJAGOFQRIDF-VXGBXAGGSA-N 2 0 297.240 2.784 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000903974471 621493021 /nfs/dbraw/zinc/49/30/21/621493021.db2.gz NZQXWZHCFFDKCJ-UKRRQHHQSA-N 2 0 285.391 2.677 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1CC[NH3+] ZINC000903978911 621493988 /nfs/dbraw/zinc/49/39/88/621493988.db2.gz ZBIPKABSHGGQSO-VXGBXAGGSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CCCCOc1ccccc1 ZINC000903978631 621494122 /nfs/dbraw/zinc/49/41/22/621494122.db2.gz IXFZBLXPMSDXGX-HZPDHXFCSA-N 2 0 276.424 2.681 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000903963888 621495794 /nfs/dbraw/zinc/49/57/94/621495794.db2.gz ITRKASPLBOUPSA-BSWAZPDLSA-N 2 0 258.409 2.595 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903966750 621496418 /nfs/dbraw/zinc/49/64/18/621496418.db2.gz BBXZHFGABUDNMT-VYDXJSESSA-N 2 0 260.425 2.761 20 0 CFADRP CC(C)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903965151 621496453 /nfs/dbraw/zinc/49/64/53/621496453.db2.gz XXWKNLBUPJZTGM-ZBFHGGJFSA-N 2 0 276.424 2.667 20 0 CFADRP CCSc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903968353 621496740 /nfs/dbraw/zinc/49/67/40/621496740.db2.gz UEAXYLAWGARTBJ-OCCSQVGLSA-N 2 0 264.438 2.744 20 0 CFADRP Cc1cc(CN2C[C@@H]([NH3+])C(C)(C)C2)cc2cccnc12 ZINC000903986764 621498829 /nfs/dbraw/zinc/49/88/29/621498829.db2.gz RLMHSQMJFQAYBC-OAHLLOKOSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904305800 621569360 /nfs/dbraw/zinc/56/93/60/621569360.db2.gz UAPQLCOPILISAN-QGZVFWFLSA-N 2 0 276.424 2.695 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC000904309315 621570242 /nfs/dbraw/zinc/57/02/42/621570242.db2.gz HGPORENDPMAHAL-UWWQBHOKSA-N 2 0 281.403 2.630 20 0 CFADRP C[N@H+](CCCc1ccccc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904308185 621570360 /nfs/dbraw/zinc/57/03/60/621570360.db2.gz LQGVLTKHDPOOJU-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)c1ccc(F)cc1 ZINC000904311583 621570711 /nfs/dbraw/zinc/57/07/11/621570711.db2.gz FROUVHUQZQJBED-SLEUVZQESA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000904313844 621571634 /nfs/dbraw/zinc/57/16/34/621571634.db2.gz LNJNSTWLJJFZGM-HOTGVXAUSA-N 2 0 281.488 2.700 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC000904314193 621571799 /nfs/dbraw/zinc/57/17/99/621571799.db2.gz SUZVJRZNZKQQNL-UAGQMJEPSA-N 2 0 292.398 2.544 20 0 CFADRP CC(C)[NH2+]C1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904316329 621572469 /nfs/dbraw/zinc/57/24/69/621572469.db2.gz LMTQSXIVDXBWQQ-AWEZNQCLSA-N 2 0 269.477 2.602 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904320717 621573306 /nfs/dbraw/zinc/57/33/06/621573306.db2.gz NBWTZDGECVIUBS-YOEHRIQHSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904320714 621573466 /nfs/dbraw/zinc/57/34/66/621573466.db2.gz NBWTZDGECVIUBS-PBHICJAKSA-N 2 0 276.424 2.645 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322946 621574545 /nfs/dbraw/zinc/57/45/45/621574545.db2.gz KSPCEYFDUQEHKI-YHUYYLMFSA-N 2 0 258.409 2.910 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000904324100 621574687 /nfs/dbraw/zinc/57/46/87/621574687.db2.gz UPMSQPBGCTWSCW-JKSUJKDBSA-N 2 0 281.488 2.558 20 0 CFADRP C[C@@H]1C[C@@H](N(C)C[C@H]([NH3+])CCC(C)(C)C)CC[N@@H+]1C ZINC000904323388 621575075 /nfs/dbraw/zinc/57/50/75/621575075.db2.gz PHQGCWMDKPBIEN-KFWWJZLASA-N 2 0 269.477 2.555 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]([NH3+])CCC(C)(C)C)[C@H](C)C1 ZINC000904323133 621575115 /nfs/dbraw/zinc/57/51/15/621575115.db2.gz NBVCMEDBQMHZOG-PMPSAXMXSA-N 2 0 283.504 2.802 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1c1ccccc1 ZINC000904325173 621575444 /nfs/dbraw/zinc/57/54/44/621575444.db2.gz RWJNIHDCWKYHLO-TXCZRRACSA-N 2 0 258.409 2.849 20 0 CFADRP C[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904347187 621579377 /nfs/dbraw/zinc/57/93/77/621579377.db2.gz DXDFHXQSQYCMJY-IXDOHACOSA-N 2 0 258.409 2.821 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000904346593 621579802 /nfs/dbraw/zinc/57/98/02/621579802.db2.gz UTRQFJSCTBOAEK-VJUNAUMWSA-N 2 0 292.398 2.715 20 0 CFADRP C[C@H]([NH3+])c1ccc(CNC[C@@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904349579 621580328 /nfs/dbraw/zinc/58/03/28/621580328.db2.gz AVPSGYKTEYNUDL-BBRMVZONSA-N 2 0 277.456 2.950 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000904354410 621581665 /nfs/dbraw/zinc/58/16/65/621581665.db2.gz XMMAMHCACHCXON-UHFFFAOYSA-N 2 0 296.414 2.803 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904356691 621582493 /nfs/dbraw/zinc/58/24/93/621582493.db2.gz XWOIJYSLRSXAPK-GOSISDBHSA-N 2 0 281.403 2.895 20 0 CFADRP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904360660 621582687 /nfs/dbraw/zinc/58/26/87/621582687.db2.gz NNDMHFXRMKCVRP-KCVDBAPCSA-N 2 0 282.815 2.743 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904360267 621583172 /nfs/dbraw/zinc/58/31/72/621583172.db2.gz YOLLORQBCZMPOV-SMDDNHRTSA-N 2 0 281.444 2.966 20 0 CFADRP COc1ccc(CC[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904362411 621583723 /nfs/dbraw/zinc/58/37/23/621583723.db2.gz MULGTNQGWRCUHU-HNNXBMFYSA-N 2 0 278.440 2.981 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000904367838 621583953 /nfs/dbraw/zinc/58/39/53/621583953.db2.gz DNMHWYJFVVAUTH-PHIMTYICSA-N 2 0 291.395 2.776 20 0 CFADRP C[C@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)Cc1cccs1 ZINC000904363695 621585286 /nfs/dbraw/zinc/58/52/86/621585286.db2.gz BIKZFQAQDDIVFC-ZFWWWQNUSA-N 2 0 266.454 2.906 20 0 CFADRP [NH3+]CC1CC([NH2+]CCOc2ccc3ccccc3c2)C1 ZINC000904363916 621585429 /nfs/dbraw/zinc/58/54/29/621585429.db2.gz FRMKKRJGLBQHNU-UHFFFAOYSA-N 2 0 270.376 2.546 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccccc1 ZINC000904364054 621585408 /nfs/dbraw/zinc/58/54/08/621585408.db2.gz QRZZIKGILVXALI-KRWDZBQOSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCC[NH2+]C1 ZINC000904388423 621585877 /nfs/dbraw/zinc/58/58/77/621585877.db2.gz JIIFGUWGIZPDRD-NEPJUHHUSA-N 2 0 294.336 2.743 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2csc3ccccc23)C1 ZINC000904365138 621586110 /nfs/dbraw/zinc/58/61/10/621586110.db2.gz XCMUYQXWFYDSCC-BJHJDKERSA-N 2 0 260.406 2.771 20 0 CFADRP C[NH2+]Cc1ccccc1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904376982 621586818 /nfs/dbraw/zinc/58/68/18/621586818.db2.gz ZVQPNTLSDASGNI-INIZCTEOSA-N 2 0 277.456 2.649 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000904393438 621586897 /nfs/dbraw/zinc/58/68/97/621586897.db2.gz UFISFRSQPLFDCM-PMPSAXMXSA-N 2 0 280.456 2.643 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCc2ccc(F)cc21 ZINC000904376450 621587257 /nfs/dbraw/zinc/58/72/57/621587257.db2.gz SKSOCJVXFYKIPX-JMSVASOKSA-N 2 0 262.372 2.525 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000904376492 621587284 /nfs/dbraw/zinc/58/72/84/621587284.db2.gz UOFZRUFBHBCVNT-GJZGRUSLSA-N 2 0 275.440 2.766 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000904377506 621587631 /nfs/dbraw/zinc/58/76/31/621587631.db2.gz RKSRQJFBUSSXJU-KRWDZBQOSA-N 2 0 267.376 2.505 20 0 CFADRP C[C@]1(C[NH+]2CCC([C@H]3CCCCO3)CC2)CCC[NH2+]C1 ZINC000904378480 621587656 /nfs/dbraw/zinc/58/76/56/621587656.db2.gz DHCRJFRBWHDROU-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000904381215 621588110 /nfs/dbraw/zinc/58/81/10/621588110.db2.gz LPXLSJWVSNQKQN-AWEZNQCLSA-N 2 0 291.439 2.734 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)C1 ZINC000904381489 621588260 /nfs/dbraw/zinc/58/82/60/621588260.db2.gz WLQDPUBTEDYTLC-KLPPZKSPSA-N 2 0 284.325 2.801 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1 ZINC000904380458 621588286 /nfs/dbraw/zinc/58/82/86/621588286.db2.gz CLGXPJXVKGWPOR-KLPPZKSPSA-N 2 0 284.325 2.801 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904384638 621588683 /nfs/dbraw/zinc/58/86/83/621588683.db2.gz KWGLEGPDTCONAO-GOSISDBHSA-N 3 0 295.515 2.676 20 0 CFADRP COC(=O)CC[C@@H]1CCCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904385560 621588735 /nfs/dbraw/zinc/58/87/35/621588735.db2.gz YYQICRAVRZEZSH-LSDHHAIUSA-N 2 0 298.471 2.805 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904385717 621588791 /nfs/dbraw/zinc/58/87/91/621588791.db2.gz CPPVZHIVQHADPK-QGZVFWFLSA-N 2 0 281.488 2.574 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)CCC[NH2+]C1 ZINC000904384740 621589056 /nfs/dbraw/zinc/58/90/56/621589056.db2.gz MYBKMZVDIVJKAQ-DLBZAZTESA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904388100 621589539 /nfs/dbraw/zinc/58/95/39/621589539.db2.gz CJQYVFPYTZPUSH-GOEBONIOSA-N 2 0 293.480 2.787 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000904386332 621589733 /nfs/dbraw/zinc/58/97/33/621589733.db2.gz WSRCFKJBMHSJAT-RDJZCZTQSA-N 2 0 281.488 2.606 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000904404901 621590418 /nfs/dbraw/zinc/59/04/18/621590418.db2.gz AEWXAQLKPZGPEG-CQSZACIVSA-N 2 0 274.408 2.646 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000904404937 621590465 /nfs/dbraw/zinc/59/04/65/621590465.db2.gz BOZLRBVJHITWSL-OAHLLOKOSA-N 2 0 281.403 2.919 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@H]1C[NH3+] ZINC000904409857 621590780 /nfs/dbraw/zinc/59/07/80/621590780.db2.gz KKFLBJPIDVTDCP-GUYCJALGSA-N 2 0 258.409 2.981 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000904406506 621590845 /nfs/dbraw/zinc/59/08/45/621590845.db2.gz XMSIDCZVSZIPGQ-OAHLLOKOSA-N 2 0 274.408 2.646 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904409391 621591086 /nfs/dbraw/zinc/59/10/86/621591086.db2.gz ATUHSTXVHSIRQK-MRXNPFEDSA-N 2 0 298.434 2.660 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)CC[C@@H]1C[NH3+] ZINC000904409855 621591447 /nfs/dbraw/zinc/59/14/47/621591447.db2.gz KKFLBJPIDVTDCP-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904410413 621591824 /nfs/dbraw/zinc/59/18/24/621591824.db2.gz DIDYAKNPMMTSDV-DZGCQCFKSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1C[NH3+] ZINC000904410909 621591912 /nfs/dbraw/zinc/59/19/12/621591912.db2.gz RQEKIXPQRAYLKK-NEPJUHHUSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(F)cc1 ZINC000904411306 621592375 /nfs/dbraw/zinc/59/23/75/621592375.db2.gz UIIUUWAHOURUSH-VNHYZAJKSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@H]1C[NH3+] ZINC000904411655 621592401 /nfs/dbraw/zinc/59/24/01/621592401.db2.gz OYVTXSCZEIDWBK-KGLIPLIRSA-N 2 0 269.392 2.652 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)oc21 ZINC000904411911 621592515 /nfs/dbraw/zinc/59/25/15/621592515.db2.gz PXBDMRJSTKBLMJ-GXTWGEPZSA-N 2 0 288.391 2.858 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412870 621593076 /nfs/dbraw/zinc/59/30/76/621593076.db2.gz YCAYBRWPWMWQOU-ZBFHGGJFSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@H]1C[NH3+] ZINC000904412374 621593277 /nfs/dbraw/zinc/59/32/77/621593277.db2.gz UPUOBXFBISPTEC-CLGDDFHISA-N 2 0 262.372 2.756 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000904412376 621593356 /nfs/dbraw/zinc/59/33/56/621593356.db2.gz UPUOBXFBISPTEC-KXAWDHGWSA-N 2 0 262.372 2.756 20 0 CFADRP CCn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC000904412865 621593480 /nfs/dbraw/zinc/59/34/80/621593480.db2.gz YASKCVALLGMDNV-MRXNPFEDSA-N 2 0 290.455 2.505 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@@H]1C[NH3+] ZINC000904412417 621593529 /nfs/dbraw/zinc/59/35/29/621593529.db2.gz VJYSWWSXNQLZBV-VXGBXAGGSA-N 2 0 276.355 2.989 20 0 CFADRP Cc1csc(C[C@H]2CCN(C[C@H]([NH3+])CC(C)C)C2)n1 ZINC000904433095 621595200 /nfs/dbraw/zinc/59/52/00/621595200.db2.gz KFRVBMHUAXIKIJ-ZIAGYGMSSA-N 2 0 281.469 2.689 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc12 ZINC000904421095 621596152 /nfs/dbraw/zinc/59/61/52/621596152.db2.gz OIQAQWYJZIXSLU-GOEBONIOSA-N 2 0 296.414 2.890 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(Cl)c1 ZINC000904420435 621596296 /nfs/dbraw/zinc/59/62/96/621596296.db2.gz OONYXTGMWHFVHC-AEGPPILISA-N 2 0 278.827 2.985 20 0 CFADRP c1cc(C[NH2+]C2([C@H]3CCCCO3)CC2)c2c(c1)C[NH2+]CC2 ZINC000904443489 621598672 /nfs/dbraw/zinc/59/86/72/621598672.db2.gz LUNKIJYYIBCIPV-QGZVFWFLSA-N 2 0 286.419 2.524 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000904446504 621599424 /nfs/dbraw/zinc/59/94/24/621599424.db2.gz VVXHQFCFODXOCO-OAHLLOKOSA-N 2 0 275.440 2.858 20 0 CFADRP C[C@@H]1C[C@@H](CNc2ccc(C(C)(C)[NH3+])cc2)CC[NH2+]1 ZINC000904477679 621601556 /nfs/dbraw/zinc/60/15/56/621601556.db2.gz WSFPQRBUIIEDRA-OLZOCXBDSA-N 2 0 261.413 2.680 20 0 CFADRP CSCC(C)(C)[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000904475136 621601752 /nfs/dbraw/zinc/60/17/52/621601752.db2.gz IWKNZUOQWKZMRV-UHFFFAOYSA-N 2 0 270.467 2.625 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905600049 621795036 /nfs/dbraw/zinc/79/50/36/621795036.db2.gz GQSJRQFZUPNHAD-CGZBRXJRSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(C[NH+](C)C)c1 ZINC000924805039 621938589 /nfs/dbraw/zinc/93/85/89/621938589.db2.gz YIDLMAIHUAZZIK-WMLDXEAASA-N 2 0 276.424 2.968 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000163618225 622758905 /nfs/dbraw/zinc/75/89/05/622758905.db2.gz MVLUIBFKIHNNSW-JTQLQIEISA-N 2 0 253.217 2.502 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccnc1)c1cccc(C[NH+](C)C)c1 ZINC000820805512 622759333 /nfs/dbraw/zinc/75/93/33/622759333.db2.gz KZRKGUOXTVIYJK-OAHLLOKOSA-N 2 0 286.423 2.686 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820805855 622760367 /nfs/dbraw/zinc/76/03/67/622760367.db2.gz SRVLOGOJPCGDET-NVXWUHKLSA-N 2 0 282.472 2.782 20 0 CFADRP OCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820805987 622760533 /nfs/dbraw/zinc/76/05/33/622760533.db2.gz WVCFPXJTNJAUSD-AYHJJNSGSA-N 2 0 288.435 2.544 20 0 CFADRP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000820811671 622763377 /nfs/dbraw/zinc/76/33/77/622763377.db2.gz UKRWYRYHDIYDNV-ZIAGYGMSSA-N 2 0 286.423 2.894 20 0 CFADRP C[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820813099 622764364 /nfs/dbraw/zinc/76/43/64/622764364.db2.gz YSBBZCCCMLEERM-MIGBEJBISA-N 2 0 288.435 2.543 20 0 CFADRP C[C@@H]([NH2+]CCC1(C)OCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820842383 622772700 /nfs/dbraw/zinc/77/27/00/622772700.db2.gz TZSLNSQRXIHUGY-CQSZACIVSA-N 2 0 292.423 2.552 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(C(C)(C)O)cc1 ZINC000924851664 622790180 /nfs/dbraw/zinc/79/01/80/622790180.db2.gz BWBGLILOJUHEOJ-AWEZNQCLSA-N 2 0 278.440 2.906 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165075304 622980104 /nfs/dbraw/zinc/98/01/04/622980104.db2.gz JTLZEKJCSPETKL-ZFWWWQNUSA-N 2 0 269.392 2.794 20 0 CFADRP Fc1cccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000226435541 623075019 /nfs/dbraw/zinc/07/50/19/623075019.db2.gz UJBWPADTUIROGX-AWEZNQCLSA-N 2 0 262.372 2.790 20 0 CFADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)CC[NH2+]C(C)(C)C ZINC000822343044 623086800 /nfs/dbraw/zinc/08/68/00/623086800.db2.gz JHEDFFKVCIPGFO-UHFFFAOYSA-N 2 0 291.439 2.773 20 0 CFADRP Cc1ccc(-c2ncc[nH]2)cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000822597339 623132697 /nfs/dbraw/zinc/13/26/97/623132697.db2.gz NNRKXFKPZXLACL-ZDUSSCGKSA-N 2 0 298.390 2.665 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CCC([NH3+])CC1 ZINC000229248439 623193699 /nfs/dbraw/zinc/19/36/99/623193699.db2.gz PYHIQOFCROKDNL-NRXISQOPSA-N 2 0 266.429 2.680 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000061588044 623223154 /nfs/dbraw/zinc/22/31/54/623223154.db2.gz TYFIABPQQCOEDK-AWEZNQCLSA-N 2 0 256.459 2.736 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC000063200362 623332718 /nfs/dbraw/zinc/33/27/18/623332718.db2.gz DEKALXDESMCKOQ-OAHLLOKOSA-N 2 0 280.362 2.929 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3ccnc(Cl)c3F)CC[C@@H]21 ZINC000823489982 623333188 /nfs/dbraw/zinc/33/31/88/623333188.db2.gz ROPPTQJANLNBPL-AAEUAGOBSA-N 2 0 297.805 2.790 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000063200851 623333124 /nfs/dbraw/zinc/33/31/24/623333124.db2.gz PENPKHSTQPOKDY-CQSZACIVSA-N 2 0 279.815 2.699 20 0 CFADRP OCCCCCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173881278 623372564 /nfs/dbraw/zinc/37/25/64/623372564.db2.gz IBZCFEKKALTROP-QGZVFWFLSA-N 2 0 282.472 2.737 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccsc1 ZINC000231980740 623378942 /nfs/dbraw/zinc/37/89/42/623378942.db2.gz OQUKINDPMJDGNT-VHDGCEQUSA-N 2 0 282.453 2.682 20 0 CFADRP C[N@@H+](Cc1ccccc1CF)C[C@H]1CCC[NH+](C)C1 ZINC000929699781 623517002 /nfs/dbraw/zinc/51/70/02/623517002.db2.gz UFXLKELYXIRJKQ-AWEZNQCLSA-N 2 0 264.388 2.930 20 0 CFADRP OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000824564615 623523847 /nfs/dbraw/zinc/52/38/47/623523847.db2.gz KKGNPTCKRRHQFR-XMTFNYHQSA-N 2 0 294.483 2.782 20 0 CFADRP CCCC[N@H+](C)CC1CCN(Cn2cc(Cl)cn2)CC1 ZINC000151801557 623569487 /nfs/dbraw/zinc/56/94/87/623569487.db2.gz MSRNWNNDQZMDGA-UHFFFAOYSA-N 2 0 298.862 2.938 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000089139309 623572108 /nfs/dbraw/zinc/57/21/08/623572108.db2.gz MQZBTVWIMAKACM-SMDDNHRTSA-N 2 0 252.789 2.947 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929791308 623688706 /nfs/dbraw/zinc/68/87/06/623688706.db2.gz RLZWNFLGEBRHMC-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccnc(Cl)c1 ZINC000152444879 623708592 /nfs/dbraw/zinc/70/85/92/623708592.db2.gz UXXMPTJVZORKAZ-VXGBXAGGSA-N 2 0 279.815 2.870 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)C1CC[NH+](C)CC1 ZINC000834883501 623901978 /nfs/dbraw/zinc/90/19/78/623901978.db2.gz FXNYZXZJQMBYLH-PWSUYJOCSA-N 2 0 279.255 2.890 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCC4(CCC4)O3)CC[C@H]21 ZINC000929847195 623935849 /nfs/dbraw/zinc/93/58/49/623935849.db2.gz LVBWJLLKNFSHMW-IXDOHACOSA-N 2 0 292.467 2.894 20 0 CFADRP C[N@H+](C[C@@H](O)CN1CCCC1)C1CCC(C(C)(C)C)CC1 ZINC000917010409 624299500 /nfs/dbraw/zinc/29/95/00/624299500.db2.gz MDXKLVZSQWWPTH-OFLPRAFFSA-N 2 0 296.499 2.980 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925481716 624755625 /nfs/dbraw/zinc/75/56/25/624755625.db2.gz JWOLQOVBIQACET-OFQRWUPVSA-N 2 0 276.424 2.524 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000921470691 624882887 /nfs/dbraw/zinc/88/28/87/624882887.db2.gz JXFQKIQLDXCLOT-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070149977 625273422 /nfs/dbraw/zinc/27/34/22/625273422.db2.gz MLPBLNLPMQCAEJ-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000834851054 625901840 /nfs/dbraw/zinc/90/18/40/625901840.db2.gz SWMBTMWYPUXQKY-GOEBONIOSA-N 2 0 294.414 2.632 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)nc1 ZINC000817970549 625967190 /nfs/dbraw/zinc/96/71/90/625967190.db2.gz ZQLAVPRZCHTBQV-ZMLRMANQSA-N 2 0 298.228 2.765 20 0 CFADRP COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000921537635 625980074 /nfs/dbraw/zinc/98/00/74/625980074.db2.gz NIIHWSBSGXKVIU-IAGOWNOFSA-N 2 0 274.408 2.720 20 0 CFADRP CC[N@@H+]1CC[C@@H](CNCc2cn(C)nc2C2CCCC2)C1 ZINC000921548216 625984592 /nfs/dbraw/zinc/98/45/92/625984592.db2.gz PTJGQYRHSKBXGS-AWEZNQCLSA-N 2 0 290.455 2.509 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921686966 626079982 /nfs/dbraw/zinc/07/99/82/626079982.db2.gz SLZOCRBWIRWXTF-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000921825089 626148156 /nfs/dbraw/zinc/14/81/56/626148156.db2.gz CNAPSYPHEPZBKT-ZNMIVQPWSA-N 2 0 288.501 2.607 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000921989513 626191642 /nfs/dbraw/zinc/19/16/42/626191642.db2.gz IWYMGHQMWPQKHG-GJZGRUSLSA-N 2 0 288.501 2.609 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CCCC1 ZINC000921997137 626193386 /nfs/dbraw/zinc/19/33/86/626193386.db2.gz ALVXWSLOKGFQMI-GVDBMIGSSA-N 2 0 294.483 2.903 20 0 CFADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000840738516 626229166 /nfs/dbraw/zinc/22/91/66/626229166.db2.gz DSIRNBLAWFEGSJ-GOSISDBHSA-N 2 0 288.435 2.533 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000922181231 626232755 /nfs/dbraw/zinc/23/27/55/626232755.db2.gz NSLJUGCOVIQNLM-MRXNPFEDSA-N 2 0 290.455 2.505 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]C3CCC([NH+](C)C)CC3)ccc2O1 ZINC000922192763 626237066 /nfs/dbraw/zinc/23/70/66/626237066.db2.gz WECOVAOJUXESPG-IGEOTXOUSA-N 2 0 288.435 2.972 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000922217290 626243150 /nfs/dbraw/zinc/24/31/50/626243150.db2.gz OQWISWSRLAIBMN-GVDBMIGSSA-N 2 0 282.472 2.759 20 0 CFADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CCCC(C)C)C2)[C@H]1C(C)C ZINC000922396070 626283209 /nfs/dbraw/zinc/28/32/09/626283209.db2.gz ZWUZWNDLHFTDHF-BRSBDYLESA-N 2 0 296.499 2.882 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1 ZINC000851727481 634493337 /nfs/dbraw/zinc/49/33/37/634493337.db2.gz OXNCLRLYZTVQMT-CVEARBPZSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCC3)CC1(C)C ZINC000922714504 626349430 /nfs/dbraw/zinc/34/94/30/626349430.db2.gz BDGBVMXYRPJUNZ-GFCCVEGCSA-N 2 0 293.480 2.637 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000922846572 626379379 /nfs/dbraw/zinc/37/93/79/626379379.db2.gz NHJWSZVTXXUHLF-UHFFFAOYSA-N 2 0 291.414 2.905 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]C2CCSCC2)CC1 ZINC000922847862 626379996 /nfs/dbraw/zinc/37/99/96/626379996.db2.gz HGYKWYYAUOEMFI-UHFFFAOYSA-N 2 0 268.470 2.879 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccncc2)CC1 ZINC000922848501 626380065 /nfs/dbraw/zinc/38/00/65/626380065.db2.gz UWZPUCUGMBKYKP-UHFFFAOYSA-N 2 0 259.397 2.578 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000922845351 626380696 /nfs/dbraw/zinc/38/06/96/626380696.db2.gz OQVZJZSGUSZQSM-JDEYZFBPSA-N 3 0 291.483 2.610 20 0 CFADRP c1cc2c(cccc2C[NH2+]C[C@H]2CCN2C2CCOCC2)[nH]1 ZINC000922951121 626431777 /nfs/dbraw/zinc/43/17/77/626431777.db2.gz SWAAWGVNDBANQP-MRXNPFEDSA-N 2 0 299.418 2.511 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)CC1(C)C ZINC000922968686 626436007 /nfs/dbraw/zinc/43/60/07/626436007.db2.gz WEIYWRGHSXJFMP-CABCVRRESA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)c1ccc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC000923298756 626464155 /nfs/dbraw/zinc/46/41/55/626464155.db2.gz YUNGDBXFUOJLLT-KRWDZBQOSA-N 2 0 288.435 2.620 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317512 626465441 /nfs/dbraw/zinc/46/54/41/626465441.db2.gz DKSHYRJMPUIDCR-RBSFLKMASA-N 2 0 280.456 2.559 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358878 626468402 /nfs/dbraw/zinc/46/84/02/626468402.db2.gz MDGBPKIMEWRBKG-HUUCEWRRSA-N 2 0 291.439 2.757 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)cc1 ZINC000923378019 626469219 /nfs/dbraw/zinc/46/92/19/626469219.db2.gz YXIJRGHPNVOTFY-HUUCEWRRSA-N 2 0 294.826 2.759 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccc1 ZINC000923376733 626469281 /nfs/dbraw/zinc/46/92/81/626469281.db2.gz OAPGIFNVWOUBJO-JKSUJKDBSA-N 2 0 288.435 2.742 20 0 CFADRP Cc1ccccc1[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C(C)C ZINC000923375819 626469363 /nfs/dbraw/zinc/46/93/63/626469363.db2.gz FZNBWEJQVWZLCG-WBVHZDCISA-N 2 0 288.435 2.660 20 0 CFADRP CCCCC[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923395455 626470494 /nfs/dbraw/zinc/47/04/94/626470494.db2.gz MUPYVOOGVYPNMT-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CCCCC[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923395456 626470527 /nfs/dbraw/zinc/47/05/27/626470527.db2.gz MUPYVOOGVYPNMT-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000923396242 626470604 /nfs/dbraw/zinc/47/06/04/626470604.db2.gz XAMDBYWEQVNSAK-DLBZAZTESA-N 2 0 292.467 2.657 20 0 CFADRP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923417025 626471042 /nfs/dbraw/zinc/47/10/42/626471042.db2.gz SJRMNAQLIQXBNY-ZBONBFHTSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923422194 626471579 /nfs/dbraw/zinc/47/15/79/626471579.db2.gz GMWUMJSOCHALDQ-MRXNPFEDSA-N 2 0 287.451 2.507 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448464 626473420 /nfs/dbraw/zinc/47/34/20/626473420.db2.gz CMHCRLMDLGWORC-IAGOWNOFSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449032 626473495 /nfs/dbraw/zinc/47/34/95/626473495.db2.gz JRNMJSJUGSSAKA-XJKSGUPXSA-N 2 0 292.398 2.717 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449026 626473524 /nfs/dbraw/zinc/47/35/24/626473524.db2.gz JRNMJSJUGSSAKA-BBRMVZONSA-N 2 0 292.398 2.717 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923457637 626473735 /nfs/dbraw/zinc/47/37/35/626473735.db2.gz WQXHMPRUZBQRDD-KRWDZBQOSA-N 2 0 288.435 2.633 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCC1CCCC1)CC2 ZINC000923449937 626473904 /nfs/dbraw/zinc/47/39/04/626473904.db2.gz QTIDMRDFCCYTAE-MRXNPFEDSA-N 2 0 280.456 2.787 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCc1ccsc1)CC2 ZINC000923450724 626473985 /nfs/dbraw/zinc/47/39/85/626473985.db2.gz IADFWZSZQHCNFO-HNNXBMFYSA-N 2 0 294.464 2.511 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCCC(F)(F)F)CC2 ZINC000923453494 626474052 /nfs/dbraw/zinc/47/40/52/626474052.db2.gz XJRVHKTWQAENSX-GFCCVEGCSA-N 2 0 294.361 2.549 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC1CCCCCC1)CC2 ZINC000923451657 626474173 /nfs/dbraw/zinc/47/41/73/626474173.db2.gz MWWWAKVOZWUDEU-INIZCTEOSA-N 2 0 280.456 2.787 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000923480899 626475944 /nfs/dbraw/zinc/47/59/44/626475944.db2.gz MPULTJOMSUFKBK-MLGOLLRUSA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000923484881 626476362 /nfs/dbraw/zinc/47/63/62/626476362.db2.gz CFUCTXMGYBWZDH-GFCCVEGCSA-N 2 0 289.354 2.651 20 0 CFADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923482642 626476373 /nfs/dbraw/zinc/47/63/73/626476373.db2.gz GUPQALUWOGMDJU-LBPRGKRZSA-N 2 0 291.420 2.882 20 0 CFADRP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481528 626476383 /nfs/dbraw/zinc/47/63/83/626476383.db2.gz RAZOQEZOBNEGBI-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP C[C@H]1C[N@H+](CCCc2ccsc2)CC[C@@H]1C[NH3+] ZINC000923496045 626476441 /nfs/dbraw/zinc/47/64/41/626476441.db2.gz ZCMNFNQTTVKSGB-GXTWGEPZSA-N 2 0 252.427 2.597 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496118 626476532 /nfs/dbraw/zinc/47/65/32/626476532.db2.gz GRXPPQSABFZZNE-WZRBSPASSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@@H]1C[NH3+] ZINC000923495719 626476557 /nfs/dbraw/zinc/47/65/57/626476557.db2.gz WUCHGDBRFMDVRB-UKRRQHHQSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@@H]1C[NH3+] ZINC000923492070 626476665 /nfs/dbraw/zinc/47/66/65/626476665.db2.gz VRVBRJNYUHVHLX-BGTYHANMSA-N 2 0 288.435 2.823 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1F ZINC000923490715 626476687 /nfs/dbraw/zinc/47/66/87/626476687.db2.gz OTRHDLIZQWEDSB-JSGCOSHPSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@@H]1C[NH3+] ZINC000923502296 626476851 /nfs/dbraw/zinc/47/68/51/626476851.db2.gz WHXXCILAQNGNTO-VXGBXAGGSA-N 2 0 275.421 2.713 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923502943 626476946 /nfs/dbraw/zinc/47/69/46/626476946.db2.gz FGAOITXENJZWHK-WCQYABFASA-N 2 0 252.789 2.757 20 0 CFADRP C[C@@H]1C[N@H+](Cc2sccc2Cl)CC[C@H]1C[NH3+] ZINC000923494922 626476953 /nfs/dbraw/zinc/47/69/53/626476953.db2.gz QNHYXDGVYMKQQO-ZJUUUORDSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@@H]1C[NH3+] ZINC000923498780 626477052 /nfs/dbraw/zinc/47/70/52/626477052.db2.gz PWARSHZBGOVTCB-KFNAQCHYSA-N 2 0 262.372 2.730 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)CC[C@@H]1C[NH3+] ZINC000923498831 626477163 /nfs/dbraw/zinc/47/71/63/626477163.db2.gz QDKVZRUNQIJDQS-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497375 626477188 /nfs/dbraw/zinc/47/71/88/626477188.db2.gz LGZWEMVYPPKLLY-WOPDTQHZSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@H]1C[NH3+] ZINC000923497494 626477231 /nfs/dbraw/zinc/47/72/31/626477231.db2.gz MJDVYLNPENEGTM-ZFWWWQNUSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H]1C[NH3+] ZINC000923500008 626477405 /nfs/dbraw/zinc/47/74/05/626477405.db2.gz UBKQPGNHDUMLLU-MNOVXSKESA-N 2 0 287.329 2.517 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)on2)CC[C@H]1C[NH3+] ZINC000923500388 626477471 /nfs/dbraw/zinc/47/74/71/626477471.db2.gz OFUNDPPJSJHBEU-HIFRSBDPSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499373 626477485 /nfs/dbraw/zinc/47/74/85/626477485.db2.gz SFBKHXHCSILFNP-DYEKYZERSA-N 2 0 250.361 2.803 20 0 CFADRP Cc1ncccc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507520 626477819 /nfs/dbraw/zinc/47/78/19/626477819.db2.gz QGFGUCBFUARGJM-INIZCTEOSA-N 2 0 287.451 2.992 20 0 CFADRP c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc1 ZINC000923506750 626477860 /nfs/dbraw/zinc/47/78/60/626477860.db2.gz KVMBXBHKTHTTSA-OAHLLOKOSA-N 2 0 273.424 2.683 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc1 ZINC000923507497 626477933 /nfs/dbraw/zinc/47/79/33/626477933.db2.gz OQDDUMJDBPTDHD-MRXNPFEDSA-N 2 0 287.451 2.992 20 0 CFADRP Cl/C=C/C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508445 626478036 /nfs/dbraw/zinc/47/80/36/626478036.db2.gz VMGPNTJKXVBBSY-DRRGCAIJSA-N 2 0 256.821 2.841 20 0 CFADRP FC(F)(F)CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH2+]C1 ZINC000923526942 626478564 /nfs/dbraw/zinc/47/85/64/626478564.db2.gz WGDTUZIGUUAZQW-ODWCKFRGSA-N 2 0 276.346 2.791 20 0 CFADRP c1ccc(COCCCN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923534304 626479017 /nfs/dbraw/zinc/47/90/17/626479017.db2.gz TWRPZUOYUFWVGK-GOSISDBHSA-N 2 0 288.435 2.811 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc[nH]1 ZINC000838984649 626518567 /nfs/dbraw/zinc/51/85/67/626518567.db2.gz STBHLGAPPNXJQH-ZDUSSCGKSA-N 2 0 270.380 2.729 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000839009530 626520118 /nfs/dbraw/zinc/52/01/18/626520118.db2.gz XOAFQOFFWJFRPE-OAHLLOKOSA-N 2 0 298.471 2.820 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccnc1Cl ZINC000757673560 626557547 /nfs/dbraw/zinc/55/75/47/626557547.db2.gz HVOIGGXLPWFKKY-CYBMUJFWSA-N 2 0 299.846 2.744 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851750246 634511119 /nfs/dbraw/zinc/51/11/19/634511119.db2.gz BTWHHWRVCGVGKO-INIZCTEOSA-N 2 0 298.471 2.580 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOC(F)F)C1 ZINC000851773147 634518794 /nfs/dbraw/zinc/51/87/94/634518794.db2.gz JQNYCIIMAMHYLZ-KGLIPLIRSA-N 2 0 290.398 2.812 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)C1CCOCC1 ZINC000765250169 627126271 /nfs/dbraw/zinc/12/62/71/627126271.db2.gz BJRSZYBUPOSKMY-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CCCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000765501650 627143552 /nfs/dbraw/zinc/14/35/52/627143552.db2.gz RGBLMHRIICMONU-UHFFFAOYSA-N 2 0 285.391 2.775 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)cc1 ZINC000765770640 627156578 /nfs/dbraw/zinc/15/65/78/627156578.db2.gz OQCZTKHBTCNQLY-CJNGLKHVSA-N 2 0 284.407 2.535 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000765872255 627162121 /nfs/dbraw/zinc/16/21/21/627162121.db2.gz IODQSXYHMRWWLZ-PBHICJAKSA-N 2 0 258.409 2.914 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000766124546 627178312 /nfs/dbraw/zinc/17/83/12/627178312.db2.gz YCALDTRCJVDRIN-IJLUTSLNSA-N 2 0 277.239 2.596 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[Si](C)(C)C)CC1 ZINC000767005805 627231305 /nfs/dbraw/zinc/23/13/05/627231305.db2.gz WLCRJZPSVXGAJK-UHFFFAOYSA-N 2 0 256.510 2.918 20 0 CFADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000767350628 627244722 /nfs/dbraw/zinc/24/47/22/627244722.db2.gz MQTFEBVJSVHZIG-UHFFFAOYSA-N 2 0 292.467 2.944 20 0 CFADRP CC[NH+](CC)CCCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769309328 627422713 /nfs/dbraw/zinc/42/27/13/627422713.db2.gz UXJSQSWZONRSBW-UHFFFAOYSA-N 2 0 291.483 2.912 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC(C(F)F)C2)C1 ZINC000769497095 627447915 /nfs/dbraw/zinc/44/79/15/627447915.db2.gz UXYZYGWWOODYID-VTXSZYRJSA-N 2 0 274.399 2.988 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000769491096 627447944 /nfs/dbraw/zinc/44/79/44/627447944.db2.gz XHZGSDLZWVBMIY-UHFFFAOYSA-N 2 0 260.372 2.883 20 0 CFADRP COc1ccc2c(NC[C@H]3CCC[N@H+](C)C3)cc[nH+]c2c1 ZINC000774528555 627935381 /nfs/dbraw/zinc/93/53/81/627935381.db2.gz GADBXLAZEWGXIB-CYBMUJFWSA-N 2 0 285.391 2.997 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775366494 628016790 /nfs/dbraw/zinc/01/67/90/628016790.db2.gz XLDURFPUFBIKRC-UPJWGTAASA-N 2 0 288.526 2.543 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000777315115 628214206 /nfs/dbraw/zinc/21/42/06/628214206.db2.gz NHZOFMSVSJNHTN-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP C[N@@H+](Cc1ccc(CF)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000777592560 628239616 /nfs/dbraw/zinc/23/96/16/628239616.db2.gz WFIHVDJRPAULKU-INIZCTEOSA-N 2 0 264.388 2.930 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000779343368 628375693 /nfs/dbraw/zinc/37/56/93/628375693.db2.gz XHLCZPXGYZKEPN-HOTGVXAUSA-N 2 0 290.451 2.922 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCc3ccccc32)C1 ZINC000780294045 628451945 /nfs/dbraw/zinc/45/19/45/628451945.db2.gz MHHIXXGKXHNNMQ-RDJZCZTQSA-N 2 0 272.436 2.990 20 0 CFADRP CO[C@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000852115446 634662753 /nfs/dbraw/zinc/66/27/53/634662753.db2.gz GROOQJAJXIFFMN-MSOLQXFVSA-N 2 0 288.435 2.808 20 0 CFADRP CCOCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000782961960 628666419 /nfs/dbraw/zinc/66/64/19/628666419.db2.gz MLCFNANTHJTOPD-GDBMZVCRSA-N 2 0 292.423 2.632 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000783228620 628689103 /nfs/dbraw/zinc/68/91/03/628689103.db2.gz ATCMGUNIDHLKIF-DZGCQCFKSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000783290658 628697838 /nfs/dbraw/zinc/69/78/38/628697838.db2.gz CPSRCILVLKXVSM-OLMNPRSZSA-N 2 0 288.435 2.531 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000784534956 628825432 /nfs/dbraw/zinc/82/54/32/628825432.db2.gz YWGZSNTXLHCYRP-MSOLQXFVSA-N 2 0 295.515 2.820 20 0 CFADRP COc1ccc2c(NCC(C)(C)[NH+](C)C)cc[nH+]c2c1 ZINC000785722873 628907400 /nfs/dbraw/zinc/90/74/00/628907400.db2.gz PQVLVBGMDQNWIG-UHFFFAOYSA-N 2 0 273.380 2.996 20 0 CFADRP Cc1nc(F)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000787084371 628991831 /nfs/dbraw/zinc/99/18/31/628991831.db2.gz PMHLORUFWJJODM-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC000788490191 629074654 /nfs/dbraw/zinc/07/46/54/629074654.db2.gz YKLPPONLDJOQDL-HNNXBMFYSA-N 2 0 298.434 2.865 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000788570216 629082965 /nfs/dbraw/zinc/08/29/65/629082965.db2.gz IJYODMSJCXKTRP-CQSZACIVSA-N 2 0 282.815 2.843 20 0 CFADRP CC1(C[NH2+]CCCCCCC[NH+]2CCCC2)COC1 ZINC000796284064 629900719 /nfs/dbraw/zinc/90/07/19/629900719.db2.gz JQFCZMMBEUXZGZ-UHFFFAOYSA-N 2 0 268.445 2.659 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccc2)[C@H]2CCC[C@H]21 ZINC000796792750 629968280 /nfs/dbraw/zinc/96/82/80/629968280.db2.gz ITEUTXWMLDYGPG-IXDOHACOSA-N 2 0 273.424 2.561 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ncc[nH]1 ZINC000796798672 629969220 /nfs/dbraw/zinc/96/92/20/629969220.db2.gz NINSXMYSWFGGNZ-WLYUNCDWSA-N 2 0 276.428 2.857 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852568150 634784063 /nfs/dbraw/zinc/78/40/63/634784063.db2.gz UTSNJAVAEGVHSZ-WBVHZDCISA-N 2 0 275.440 2.724 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCCc3ccncc3)C2)CC1 ZINC000799179902 630284074 /nfs/dbraw/zinc/28/40/74/630284074.db2.gz ZEAQAOLWOBZJST-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)C1CC[NH+](C)CC1 ZINC000800987109 630420566 /nfs/dbraw/zinc/42/05/66/630420566.db2.gz PTNWIKIDMPXAGX-PBHICJAKSA-N 2 0 288.435 2.700 20 0 CFADRP C[N@H+](CCSC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000801922846 630488492 /nfs/dbraw/zinc/48/84/92/630488492.db2.gz QHWAEHRCSGHFGX-CYBMUJFWSA-N 2 0 258.475 2.792 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000852754042 634825847 /nfs/dbraw/zinc/82/58/47/634825847.db2.gz MTGXSFJYJNEFLA-KRWDZBQOSA-N 3 0 281.488 2.607 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CC=C(Cl)Cl)CC[NH2+]CC2 ZINC000852752905 634825918 /nfs/dbraw/zinc/82/59/18/634825918.db2.gz QAFGLXJGPLCJHY-SNVBAGLBSA-N 2 0 263.212 2.769 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852759110 634827203 /nfs/dbraw/zinc/82/72/03/634827203.db2.gz JWKVEXZQCZBPCR-JKSUJKDBSA-N 2 0 268.445 2.787 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](CCCCCCC[NH3+])C2 ZINC000852758980 634827306 /nfs/dbraw/zinc/82/73/06/634827306.db2.gz IDZGPEUQVYJSPL-UHFFFAOYSA-N 2 0 276.424 2.963 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)c1ccccc1 ZINC000808721384 631036419 /nfs/dbraw/zinc/03/64/19/631036419.db2.gz LWSTYANFMDIHFO-PBHICJAKSA-N 2 0 290.451 2.961 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000841032148 631312268 /nfs/dbraw/zinc/31/22/68/631312268.db2.gz MWUCFEGXFQXCSS-UHFFFAOYSA-N 2 0 294.320 2.895 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033295 631312986 /nfs/dbraw/zinc/31/29/86/631312986.db2.gz MRBIQFNWPGLKGJ-MAUKXSAKSA-N 2 0 289.467 2.588 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000841033472 631313954 /nfs/dbraw/zinc/31/39/54/631313954.db2.gz OQIJPPSJBXGBRS-IBGZPJMESA-N 2 0 280.415 2.835 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(OCC[NH3+])cc1 ZINC000841054801 631322642 /nfs/dbraw/zinc/32/26/42/631322642.db2.gz NBBNVVGVIHWUQG-GDBMZVCRSA-N 2 0 291.439 2.747 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841059200 631325654 /nfs/dbraw/zinc/32/56/54/631325654.db2.gz MXLTXAKIWFDMDV-QAPCUYQASA-N 2 0 293.499 2.619 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1C ZINC000841084946 631333848 /nfs/dbraw/zinc/33/38/48/631333848.db2.gz QSRYJDXHNBAVGS-ZFWWWQNUSA-N 2 0 262.397 2.529 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000841086619 631336046 /nfs/dbraw/zinc/33/60/46/631336046.db2.gz JRZOTNFKYZTGNU-VYDXJSESSA-N 2 0 276.424 2.871 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@H]3SCCS[C@H]13)CC[NH2+]2 ZINC000841088659 631337660 /nfs/dbraw/zinc/33/76/60/631337660.db2.gz BKUIZKWKQQYHSU-AAVRWANBSA-N 2 0 298.521 2.630 20 0 CFADRP COc1cc(C[N@H+](C)CCCCCCC[NH3+])ccc1O ZINC000842471603 631639418 /nfs/dbraw/zinc/63/94/18/631639418.db2.gz LKTYDSSBKJSODN-UHFFFAOYSA-N 2 0 280.412 2.742 20 0 CFADRP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000842471865 631639459 /nfs/dbraw/zinc/63/94/59/631639459.db2.gz DJPYHZPKKUPHID-CGTJXYLNSA-N 2 0 288.435 2.574 20 0 CFADRP Cc1cccc2c1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000842472140 631639497 /nfs/dbraw/zinc/63/94/97/631639497.db2.gz SBDITGKBIJWTNR-HNNXBMFYSA-N 2 0 258.409 2.743 20 0 CFADRP [NH3+]CCCCCCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000842472549 631639694 /nfs/dbraw/zinc/63/96/94/631639694.db2.gz HDKOEOWQOFXTQE-HOTGVXAUSA-N 2 0 267.461 2.502 20 0 CFADRP [NH3+]CCCCCCCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000842472550 631639733 /nfs/dbraw/zinc/63/97/33/631639733.db2.gz HDKOEOWQOFXTQE-HZPDHXFCSA-N 2 0 267.461 2.502 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474104 631641198 /nfs/dbraw/zinc/64/11/98/631641198.db2.gz FDLXAHQJBHOMEJ-IRXDYDNUSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCc2cccs2)CC1 ZINC000842477727 631641680 /nfs/dbraw/zinc/64/16/80/631641680.db2.gz AHXLEPCZKQEGRY-JKSUJKDBSA-N 2 0 294.464 2.509 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCc2cccs2)CC1 ZINC000842477724 631641884 /nfs/dbraw/zinc/64/18/84/631641884.db2.gz AHXLEPCZKQEGRY-HZPDHXFCSA-N 2 0 294.464 2.509 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)CO1 ZINC000842678029 631702356 /nfs/dbraw/zinc/70/23/56/631702356.db2.gz RKMRMQCUDCGMEE-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000843055171 631819266 /nfs/dbraw/zinc/81/92/66/631819266.db2.gz FNLJEVBXLKFYQA-UHFFFAOYSA-N 2 0 274.408 2.538 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1CCC([NH3+])CC1 ZINC000843104557 631836347 /nfs/dbraw/zinc/83/63/47/631836347.db2.gz LOQNRSNPNRGWHQ-UHFFFAOYSA-N 2 0 278.444 2.614 20 0 CFADRP Fc1ccc(/C=C\C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843120175 631842146 /nfs/dbraw/zinc/84/21/46/631842146.db2.gz KFROKRNOFYTWPY-UPHRSURJSA-N 2 0 274.383 2.914 20 0 CFADRP COc1cc2c(c(C[NH2+]CCCCCC[NH3+])c1)O[C@@H](C)C2 ZINC000843126489 631845741 /nfs/dbraw/zinc/84/57/41/631845741.db2.gz GZNCJWJDDNAZME-ZDUSSCGKSA-N 2 0 292.423 2.627 20 0 CFADRP CCCn1nc(C)c(C[NH2+]CCCCCC[NH3+])c1C ZINC000843126834 631846322 /nfs/dbraw/zinc/84/63/22/631846322.db2.gz JYLATEXKWQZNMZ-UHFFFAOYSA-N 2 0 266.433 2.519 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000843127599 631846408 /nfs/dbraw/zinc/84/64/08/631846408.db2.gz FCCFIFXYGBBKCN-VXGBXAGGSA-N 2 0 262.397 2.616 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843127889 631847550 /nfs/dbraw/zinc/84/75/50/631847550.db2.gz RPTRZOMKXLZUJZ-FUHWJXTLSA-N 2 0 289.467 2.616 20 0 CFADRP CCOc1cccc(C[NH2+]CCCCCC[NH3+])c1 ZINC000843129095 631848628 /nfs/dbraw/zinc/84/86/28/631848628.db2.gz QXHXAKLVHWEJHG-UHFFFAOYSA-N 2 0 250.386 2.694 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843128929 631848846 /nfs/dbraw/zinc/84/88/46/631848846.db2.gz ZNXYCBBECXCZNM-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP CCOc1ccc(C[NH2+]CCCCCC[NH3+])cc1F ZINC000843129931 631849182 /nfs/dbraw/zinc/84/91/82/631849182.db2.gz UWIYOYNRBIOQIJ-UHFFFAOYSA-N 2 0 268.376 2.833 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000843129529 631849212 /nfs/dbraw/zinc/84/92/12/631849212.db2.gz VGEHNTNFQNMTHC-UHFFFAOYSA-N 2 0 272.396 2.685 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843340650 631931410 /nfs/dbraw/zinc/93/14/10/631931410.db2.gz CZMDZLLPNSNCEJ-UONOGXRCSA-N 2 0 256.434 2.687 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843340475 631931411 /nfs/dbraw/zinc/93/14/11/631931411.db2.gz MZDJDLGRWCMHPT-HRCADAONSA-N 2 0 258.409 2.781 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000843342413 631932526 /nfs/dbraw/zinc/93/25/26/631932526.db2.gz QHYXVBHUIDVRRU-HNNXBMFYSA-N 2 0 265.376 2.781 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)Cc2ccccc21 ZINC000843356412 631935887 /nfs/dbraw/zinc/93/58/87/631935887.db2.gz NWKLAGFHJFWLPD-AWEZNQCLSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@H+](CCC1CC[NH2+]CC1)C[C@H](O)c1ccc(C)cc1 ZINC000843359238 631937158 /nfs/dbraw/zinc/93/71/58/631937158.db2.gz OSAKAAAGTUKFPV-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843387550 631942526 /nfs/dbraw/zinc/94/25/26/631942526.db2.gz GYLBTNQNRHCADE-UPJWGTAASA-N 2 0 291.266 2.892 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843386500 631942897 /nfs/dbraw/zinc/94/28/97/631942897.db2.gz JPMBYXOWYFMTOC-KBPBESRZSA-N 2 0 293.842 2.947 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843388359 631943697 /nfs/dbraw/zinc/94/36/97/631943697.db2.gz MSJXUGKVFMLHHZ-ZIAGYGMSSA-N 2 0 264.438 2.612 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843392345 631943920 /nfs/dbraw/zinc/94/39/20/631943920.db2.gz NEXPDWOPCDPONR-HOTGVXAUSA-N 2 0 268.445 2.787 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843387708 631943981 /nfs/dbraw/zinc/94/39/81/631943981.db2.gz IBFKUAQHEANLCL-SJORKVTESA-N 2 0 288.435 2.695 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000842688447 632110665 /nfs/dbraw/zinc/11/06/65/632110665.db2.gz NYHACNXLJDKNRD-YHNBSYBMSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@@H](C)c1nc(C[N@H+](C)C2CCC([NH3+])CC2)cs1 ZINC000844220866 632135979 /nfs/dbraw/zinc/13/59/79/632135979.db2.gz NCVQUXRCQYWYII-ZBOXLXRLSA-N 2 0 283.441 2.552 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCC[NH3+])C[C@@H]1C ZINC000844221524 632137698 /nfs/dbraw/zinc/13/76/98/632137698.db2.gz PJDSTYLJVNIBJH-HOTGVXAUSA-N 3 0 269.477 2.700 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnn(C)c2Cl)C1 ZINC000815115812 632204124 /nfs/dbraw/zinc/20/41/24/632204124.db2.gz NHNQDGOOWGFPFX-ZDUSSCGKSA-N 2 0 298.862 2.675 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817131933 632563236 /nfs/dbraw/zinc/56/32/36/632563236.db2.gz VZUUVRQLZNPKTJ-ZDUSSCGKSA-N 2 0 285.391 2.774 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846033838 632618919 /nfs/dbraw/zinc/61/89/19/632618919.db2.gz BMNPLAMUNJXINH-YJBOKZPZSA-N 2 0 290.451 2.745 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846033832 632618931 /nfs/dbraw/zinc/61/89/31/632618931.db2.gz BMNPLAMUNJXINH-CRAIPNDOSA-N 2 0 290.451 2.745 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846033836 632619074 /nfs/dbraw/zinc/61/90/74/632619074.db2.gz BMNPLAMUNJXINH-QAPCUYQASA-N 2 0 290.451 2.745 20 0 CFADRP [NH3+]CCCCCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000846218804 632664318 /nfs/dbraw/zinc/66/43/18/632664318.db2.gz XGLAOHLCFCNORP-GOSISDBHSA-N 2 0 290.451 2.877 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219064 632664363 /nfs/dbraw/zinc/66/43/63/632664363.db2.gz FARYMCVILLVGBG-ZIAGYGMSSA-N 2 0 256.434 2.641 20 0 CFADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCCCC[NH3+] ZINC000846218843 632664520 /nfs/dbraw/zinc/66/45/20/632664520.db2.gz YNDZHAFSNLSZJT-WBVHZDCISA-N 2 0 276.424 2.968 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000846218421 632664614 /nfs/dbraw/zinc/66/46/14/632664614.db2.gz UPNSSWGVQZLRMH-SFHVURJKSA-N 2 0 290.451 2.951 20 0 CFADRP C[C@H](c1ccsc1)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846220548 632665398 /nfs/dbraw/zinc/66/53/98/632665398.db2.gz KMQJTJKVLKANIN-OAHLLOKOSA-N 2 0 295.496 2.946 20 0 CFADRP [NH3+]CCCCCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000846219503 632665763 /nfs/dbraw/zinc/66/57/63/632665763.db2.gz SBLRGIMVSYBIPI-SFHVURJKSA-N 2 0 290.451 2.839 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCCCCC[NH3+] ZINC000846220079 632665882 /nfs/dbraw/zinc/66/58/82/632665882.db2.gz AUBKMZCCLHSFSU-HNNXBMFYSA-N 2 0 278.444 2.949 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000846221351 632666930 /nfs/dbraw/zinc/66/69/30/632666930.db2.gz XOPJSKYFAIOPMN-UHFFFAOYSA-N 2 0 250.361 2.703 20 0 CFADRP C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCCCCC[NH3+] ZINC000846222450 632667218 /nfs/dbraw/zinc/66/72/18/632667218.db2.gz CUDLHKKJRWBBRQ-WMLDXEAASA-N 2 0 276.424 2.830 20 0 CFADRP CCc1ccc([C@H]2C[NH2+]CCN2CCCCCC[NH3+])cc1 ZINC000846220787 632667461 /nfs/dbraw/zinc/66/74/61/632667461.db2.gz QFOVSQKDPXROJB-GOSISDBHSA-N 2 0 289.467 2.714 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000817892079 632718176 /nfs/dbraw/zinc/71/81/76/632718176.db2.gz QKHBLQMJEUQXFH-IHRRRGAJSA-N 2 0 289.423 2.590 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCSC(F)(F)F ZINC000817889555 632718359 /nfs/dbraw/zinc/71/83/59/632718359.db2.gz PJQJZSBESCGBFY-MRVPVSSYSA-N 2 0 293.358 2.752 20 0 CFADRP CC(C)CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817892800 632719562 /nfs/dbraw/zinc/71/95/62/632719562.db2.gz PSNLAMUKBFNPFO-OWCLPIDISA-N 2 0 270.461 2.935 20 0 CFADRP CSCC[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817896817 632720742 /nfs/dbraw/zinc/72/07/42/632720742.db2.gz VFNHYKXZWPOPIX-WDEREUQCSA-N 2 0 267.442 2.641 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817897515 632721494 /nfs/dbraw/zinc/72/14/94/632721494.db2.gz RLWVFTJSLLVOML-IUODEOHRSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897725 632721904 /nfs/dbraw/zinc/72/19/04/632721904.db2.gz WKFOPTMELWSBDI-DLBZAZTESA-N 2 0 279.472 2.501 20 0 CFADRP CCCCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817898615 632722773 /nfs/dbraw/zinc/72/27/73/632722773.db2.gz JYQZGSXLTSVAKI-QLFBSQMISA-N 2 0 270.461 2.935 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817898690 632723371 /nfs/dbraw/zinc/72/33/71/632723371.db2.gz ACKCGHCBCZAHQQ-HIEASXQVSA-N 3 0 293.499 2.904 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000817902678 632727094 /nfs/dbraw/zinc/72/70/94/632727094.db2.gz WROLGWOWHYTXCO-RRFJBIMHSA-N 2 0 293.842 2.788 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000817902595 632727124 /nfs/dbraw/zinc/72/71/24/632727124.db2.gz VAILUNRGBIOHEO-HOCLYGCPSA-N 2 0 275.440 2.750 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817904922 632727756 /nfs/dbraw/zinc/72/77/56/632727756.db2.gz HQYUXDPWMGOOAB-RDTXWAMCSA-N 2 0 286.419 2.980 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904893 632728138 /nfs/dbraw/zinc/72/81/38/632728138.db2.gz GORGBSQMTKBEKV-BZSNNMDCSA-N 2 0 284.403 2.590 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000817904923 632728358 /nfs/dbraw/zinc/72/83/58/632728358.db2.gz HRQWXXPQDRDCPJ-DZUCGIPZSA-N 2 0 276.424 2.748 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817910801 632729838 /nfs/dbraw/zinc/72/98/38/632729838.db2.gz YZKREANEINYORI-AYOQOUSVSA-N 2 0 298.430 2.577 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817910352 632730206 /nfs/dbraw/zinc/73/02/06/632730206.db2.gz SEMHXXUBKGSFHJ-CGTJXYLNSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817913034 632730664 /nfs/dbraw/zinc/73/06/64/632730664.db2.gz MQQHZYDCLPNSAV-WCVJEAGWSA-N 2 0 294.439 2.992 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817911617 632730816 /nfs/dbraw/zinc/73/08/16/632730816.db2.gz BHIGUMBDZQCZSI-CWVYHPPDSA-N 2 0 292.423 2.602 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817917201 632733227 /nfs/dbraw/zinc/73/32/27/632733227.db2.gz MYSMMSWALXFJTK-GDBMZVCRSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817917207 632733615 /nfs/dbraw/zinc/73/36/15/632733615.db2.gz MYSMMSWALXFJTK-ZBFHGGJFSA-N 2 0 276.424 2.607 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@H]1C)CCC2 ZINC000817921514 632734571 /nfs/dbraw/zinc/73/45/71/632734571.db2.gz AFJCOHCLZSBZIZ-MPKXVKKWSA-N 2 0 279.453 2.807 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])CCC2 ZINC000817921608 632734947 /nfs/dbraw/zinc/73/49/47/632734947.db2.gz CYBCQXPXNDTEFE-FXPVBKGRSA-N 2 0 253.415 2.544 20 0 CFADRP CSCCCCCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817921909 632735537 /nfs/dbraw/zinc/73/55/37/632735537.db2.gz KLRGOOWGOQLJLB-UONOGXRCSA-N 2 0 258.475 2.888 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1cccc(Cl)c1 ZINC000817922887 632735580 /nfs/dbraw/zinc/73/55/80/632735580.db2.gz NTFLVUHVPUDCLI-OAGGEKHMSA-N 2 0 296.842 2.797 20 0 CFADRP C[C@@](O)(C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1Cl ZINC000817922238 632735706 /nfs/dbraw/zinc/73/57/06/632735706.db2.gz BYRWPURPFCFUHA-SEEARECTSA-N 2 0 296.842 2.655 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000817922902 632735792 /nfs/dbraw/zinc/73/57/92/632735792.db2.gz OHECFLHZKYDEBP-KCXAZCMYSA-N 2 0 296.842 2.525 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817922968 632735851 /nfs/dbraw/zinc/73/58/51/632735851.db2.gz OPSWUZTWEMDVPW-JCAIJIATSA-N 2 0 276.424 2.532 20 0 CFADRP C[C@](O)(CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000817923600 632736919 /nfs/dbraw/zinc/73/69/19/632736919.db2.gz CYFMVXKOUDKWCD-ULQDDVLXSA-N 2 0 276.424 2.534 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817924422 632736985 /nfs/dbraw/zinc/73/69/85/632736985.db2.gz XMKMFVQENMKFIP-MNOVXSKESA-N 2 0 255.793 2.903 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817925201 632737477 /nfs/dbraw/zinc/73/74/77/632737477.db2.gz RZEKCWPGKXCFDS-GOEBONIOSA-N 2 0 276.424 2.521 20 0 CFADRP CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1c[nH+]ccc1N)CCC2 ZINC000817925263 632737882 /nfs/dbraw/zinc/73/78/82/632737882.db2.gz UOHBAOHCPBSSJX-BLLLJJGKSA-N 2 0 299.422 3.000 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000817929342 632739452 /nfs/dbraw/zinc/73/94/52/632739452.db2.gz NODCMDJHBZGGDK-YESZJQIVSA-N 2 0 276.424 2.532 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)Cc2ccccc2)c2ccccc21 ZINC000817929836 632739752 /nfs/dbraw/zinc/73/97/52/632739752.db2.gz LDHPFUFAFJNQIJ-LZQZEXGQSA-N 2 0 296.414 2.715 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000817937472 632741858 /nfs/dbraw/zinc/74/18/58/632741858.db2.gz RBBVKIWOOBBANK-ZJUUUORDSA-N 2 0 253.217 2.677 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCC[NH3+])ccc1OC ZINC000817938046 632742984 /nfs/dbraw/zinc/74/29/84/632742984.db2.gz CJZJCIYYGQUHQP-AWEZNQCLSA-N 3 0 293.455 2.536 20 0 CFADRP CCCCC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000817943135 632746736 /nfs/dbraw/zinc/74/67/36/632746736.db2.gz JAAUEKPJNMWRKF-SFHVURJKSA-N 2 0 289.467 2.803 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000817948031 632749139 /nfs/dbraw/zinc/74/91/39/632749139.db2.gz SIDZHDAHGDZOND-SFHVURJKSA-N 2 0 266.388 2.965 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)CC2 ZINC000817948312 632749719 /nfs/dbraw/zinc/74/97/19/632749719.db2.gz XFLORULLRLJBIM-IBGZPJMESA-N 2 0 296.414 2.974 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949556 632750240 /nfs/dbraw/zinc/75/02/40/632750240.db2.gz RGYMOIJNYYIQSP-CQSZACIVSA-N 2 0 283.419 2.996 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949909 632750907 /nfs/dbraw/zinc/75/09/07/632750907.db2.gz UEKMGJLEKQHXRB-AWEZNQCLSA-N 2 0 269.392 2.742 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817954129 632754005 /nfs/dbraw/zinc/75/40/05/632754005.db2.gz WTFWHSJCPQTQNE-YUMQZZPRSA-N 2 0 276.211 2.964 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1C ZINC000817968107 632767628 /nfs/dbraw/zinc/76/76/28/632767628.db2.gz PCKYUKDXLOGJBI-CQSZACIVSA-N 2 0 274.408 2.882 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817969345 632767780 /nfs/dbraw/zinc/76/77/80/632767780.db2.gz UWBHZOYOKMKLLA-JQWIXIFHSA-N 2 0 298.228 2.637 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817969533 632768714 /nfs/dbraw/zinc/76/87/14/632768714.db2.gz WKBDRFNPDCYWMM-JKSUJKDBSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)nc1 ZINC000817970101 632769009 /nfs/dbraw/zinc/76/90/09/632769009.db2.gz LHWZEJAXUURMCA-DLOVCJGASA-N 2 0 253.777 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccnc(Cl)c1 ZINC000817970506 632769491 /nfs/dbraw/zinc/76/94/91/632769491.db2.gz XTLXHTMQBOWXER-ZMLRMANQSA-N 2 0 253.777 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccnc(Cl)c1 ZINC000817970504 632770144 /nfs/dbraw/zinc/77/01/44/632770144.db2.gz XTLXHTMQBOWXER-MVWJERBFSA-N 2 0 253.777 2.656 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)NC[C@@H](C)[NH3+])ccc1OC ZINC000817971469 632770795 /nfs/dbraw/zinc/77/07/95/632770795.db2.gz DEQMSLKKEUKZKD-ZIAGYGMSSA-N 2 0 293.455 2.535 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000817972462 632771994 /nfs/dbraw/zinc/77/19/94/632771994.db2.gz XUIODQLRCXCGHD-RCBQFDQVSA-N 2 0 274.408 2.803 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(F)cc2C)CC[NH2+]CC1 ZINC000817975828 632773155 /nfs/dbraw/zinc/77/31/55/632773155.db2.gz XVCQRQWIJFUJEI-CQSZACIVSA-N 2 0 294.414 2.801 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cccnc1Cl ZINC000817976050 632773724 /nfs/dbraw/zinc/77/37/24/632773724.db2.gz UNZVCJFGYUDESK-MNOVXSKESA-N 2 0 255.793 2.903 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000817978083 632775193 /nfs/dbraw/zinc/77/51/93/632775193.db2.gz VPWUIQZYBQGRLP-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976974 632775300 /nfs/dbraw/zinc/77/53/00/632775300.db2.gz YAEBNCYTFJCTFB-HOTGVXAUSA-N 2 0 256.393 2.714 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817982276 632778767 /nfs/dbraw/zinc/77/87/67/632778767.db2.gz QPYSHWKPYQWTGN-GUTXKFCHSA-N 2 0 262.397 2.863 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cnn1-c1ccccc1 ZINC000817982492 632779044 /nfs/dbraw/zinc/77/90/44/632779044.db2.gz TZALWTNBBSCCNK-IMJJTQAJSA-N 2 0 298.434 2.959 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000817982623 632780336 /nfs/dbraw/zinc/78/03/36/632780336.db2.gz UQJMAIWFZGSMQM-SGMGOOAPSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000817984937 632781068 /nfs/dbraw/zinc/78/10/68/632781068.db2.gz CQYLMFOGZDATGQ-AAVRWANBSA-N 2 0 270.486 2.884 20 0 CFADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000818970648 632918510 /nfs/dbraw/zinc/91/85/10/632918510.db2.gz XNFBVGLJWGZLKX-RHSMWYFYSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000818971128 632918666 /nfs/dbraw/zinc/91/86/66/632918666.db2.gz YGXBOCCCJUKPDJ-AEFFLSMTSA-N 2 0 290.451 2.740 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819043205 632940350 /nfs/dbraw/zinc/94/03/50/632940350.db2.gz PYXRNJHIZUZPMN-QGZVFWFLSA-N 2 0 294.414 2.713 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC000819081510 632957154 /nfs/dbraw/zinc/95/71/54/632957154.db2.gz LTOVATNCLQVXML-CVEARBPZSA-N 2 0 278.440 2.676 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000819152544 632987276 /nfs/dbraw/zinc/98/72/76/632987276.db2.gz WQGYEYJIVROLQW-AEFFLSMTSA-N 2 0 290.451 2.596 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819182189 633001250 /nfs/dbraw/zinc/00/12/50/633001250.db2.gz KEOBEXCFVBHFBO-AEFFLSMTSA-N 2 0 290.451 2.678 20 0 CFADRP CC(C)(C[NH2+]C[C@@H](O)c1ccccc1F)C[NH+]1CCCC1 ZINC000819259404 633043244 /nfs/dbraw/zinc/04/32/44/633043244.db2.gz JAUJLGCWVBKEIK-MRXNPFEDSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000819259838 633043597 /nfs/dbraw/zinc/04/35/97/633043597.db2.gz MHKRJRATLCNBDA-KRWDZBQOSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc(Cl)n2C)C1 ZINC000848527507 633277561 /nfs/dbraw/zinc/27/75/61/633277561.db2.gz BVWUFJOYCHTREE-CYBMUJFWSA-N 2 0 298.862 2.675 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000848574577 633293800 /nfs/dbraw/zinc/29/38/00/633293800.db2.gz FXABCDFEMQACDK-NCOADZHNSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)c1c(F)cccc1F ZINC000848719530 633324468 /nfs/dbraw/zinc/32/44/68/633324468.db2.gz IQJVDRABHVQHND-XYJYNPGVSA-N 2 0 298.377 2.636 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848720660 633324666 /nfs/dbraw/zinc/32/46/66/633324666.db2.gz QODPOYOGBVZEDX-NCOADZHNSA-N 2 0 276.424 2.748 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c21 ZINC000848722406 633325065 /nfs/dbraw/zinc/32/50/65/633325065.db2.gz MQRHXBGIPJHAOH-KGLIPLIRSA-N 2 0 287.407 2.579 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+](CC)CC ZINC000848984059 633416713 /nfs/dbraw/zinc/41/67/13/633416713.db2.gz JDKFAVSIHZVMRN-KGLIPLIRSA-N 2 0 270.465 2.655 20 0 CFADRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC2CCC2)c1 ZINC000848985806 633417386 /nfs/dbraw/zinc/41/73/86/633417386.db2.gz CRVQAGBTCWCFJC-UHFFFAOYSA-N 2 0 288.439 2.695 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])NC2CCCC2)C1 ZINC000848990083 633419209 /nfs/dbraw/zinc/41/92/09/633419209.db2.gz XNTCZHVTPUGGRD-GJZGRUSLSA-N 2 0 294.487 2.801 20 0 CFADRP COc1cccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000848995323 633451087 /nfs/dbraw/zinc/45/10/87/633451087.db2.gz FKMITEXCZYRGIR-ZDUSSCGKSA-N 2 0 290.411 2.506 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000848999023 633453067 /nfs/dbraw/zinc/45/30/67/633453067.db2.gz KNNMRNXITVOSCQ-CQSZACIVSA-N 2 0 289.427 2.672 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)cc1 ZINC000849016457 633462175 /nfs/dbraw/zinc/46/21/75/633462175.db2.gz DUEKEUYXIOHABL-UHFFFAOYSA-N 2 0 288.439 2.917 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000849024365 633466133 /nfs/dbraw/zinc/46/61/33/633466133.db2.gz VTWGEROKKZXXTN-CQSZACIVSA-N 2 0 274.412 2.743 20 0 CFADRP CC(C)CCNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849064639 633482972 /nfs/dbraw/zinc/48/29/72/633482972.db2.gz ULTNCKYTTKHDRO-GASCZTMLSA-N 2 0 296.503 2.903 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1=CCCCCC1 ZINC000849087968 633484823 /nfs/dbraw/zinc/48/48/23/633484823.db2.gz SIUPDWNXPXEGPE-INIZCTEOSA-N 2 0 292.471 2.865 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)CC1(C)C ZINC000858090670 636122046 /nfs/dbraw/zinc/12/20/46/636122046.db2.gz JNEWOWBXQMXABG-HUUCEWRRSA-N 2 0 296.842 2.836 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850266661 633918407 /nfs/dbraw/zinc/91/84/07/633918407.db2.gz HBYSPTRUEXIYHR-CHWSQXEVSA-N 2 0 256.353 2.546 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000850410305 633981942 /nfs/dbraw/zinc/98/19/42/633981942.db2.gz RBXWGRKLVZHFNN-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000850419122 633984573 /nfs/dbraw/zinc/98/45/73/633984573.db2.gz BPSDVGXMOWCSLF-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000850438502 633992209 /nfs/dbraw/zinc/99/22/09/633992209.db2.gz AKSVWNDZJJFEDF-AAEUAGOBSA-N 2 0 260.372 2.537 20 0 CFADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858163024 636144954 /nfs/dbraw/zinc/14/49/54/636144954.db2.gz USYVIIDFWHYDNA-HYVNUMGLSA-N 2 0 290.451 2.879 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000850442662 633995451 /nfs/dbraw/zinc/99/54/51/633995451.db2.gz OQKCQYGGYPMLSQ-AWEZNQCLSA-N 2 0 266.429 2.551 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC000850581240 634060611 /nfs/dbraw/zinc/06/06/11/634060611.db2.gz DXBOZMFBFZMYJS-IAGOWNOFSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000925487114 634288264 /nfs/dbraw/zinc/28/82/64/634288264.db2.gz VTTKTTWMSHGWKI-SOLBZPMBSA-N 2 0 289.467 2.787 20 0 CFADRP C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242007 634949699 /nfs/dbraw/zinc/94/96/99/634949699.db2.gz YXEKIWVAOJBINC-IRXDYDNUSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000853248688 634951338 /nfs/dbraw/zinc/95/13/38/634951338.db2.gz IMAVAUVAXWCWCX-VBNZEHGJSA-N 2 0 274.408 2.932 20 0 CFADRP CC(C)C[C@H](C[NH3+])Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000854155688 635232948 /nfs/dbraw/zinc/23/29/48/635232948.db2.gz XQTZMEUEOHZTIO-LBPRGKRZSA-N 2 0 299.378 2.548 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2Cc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925488433 635367376 /nfs/dbraw/zinc/36/73/76/635367376.db2.gz CTBQPMWZPXYPNN-MXASKKJJSA-N 2 0 270.420 2.693 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925489807 635730821 /nfs/dbraw/zinc/73/08/21/635730821.db2.gz RPTGHLRJYAFLBR-ZIAGYGMSSA-N 2 0 256.434 2.689 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCSC(C)(C)C)CC1(C)C ZINC000858125580 636135046 /nfs/dbraw/zinc/13/50/46/636135046.db2.gz GWRJJYTZRGBHCZ-GFCCVEGCSA-N 2 0 258.475 2.981 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccnc(F)c2)ccc1F ZINC000858137507 636136363 /nfs/dbraw/zinc/13/63/63/636136363.db2.gz AHNNINMJJXSIJP-UHFFFAOYSA-N 2 0 291.345 2.711 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858147645 636139751 /nfs/dbraw/zinc/13/97/51/636139751.db2.gz WKPWNCDBKJSDQA-YNEHKIRRSA-N 2 0 256.459 2.733 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858163022 636144300 /nfs/dbraw/zinc/14/43/00/636144300.db2.gz USYVIIDFWHYDNA-BHYGNILZSA-N 2 0 290.451 2.879 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC000858165634 636145626 /nfs/dbraw/zinc/14/56/26/636145626.db2.gz WDVYLZREZZZMAV-CWRNSKLLSA-N 2 0 276.424 2.571 20 0 CFADRP C[N@H+](CCCNc1cc[nH+]c(CO)c1)C1CCCCC1 ZINC000858340985 636198515 /nfs/dbraw/zinc/19/85/15/636198515.db2.gz UTSAHNMKFBJGCL-UHFFFAOYSA-N 2 0 277.412 2.640 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc[nH+]c(CO)c1 ZINC000858484702 636268224 /nfs/dbraw/zinc/26/82/24/636268224.db2.gz YWAUOGXNCKXKBL-KBXCAEBGSA-N 2 0 297.402 2.506 20 0 CFADRP Cc1ccccc1SC[C@@H](C)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000859084799 636446714 /nfs/dbraw/zinc/44/67/14/636446714.db2.gz BKVWARXYGQTRSK-CWRNSKLLSA-N 2 0 290.476 2.874 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)O1 ZINC000859212997 636507391 /nfs/dbraw/zinc/50/73/91/636507391.db2.gz QCIIPMGHJNBHPD-PBHICJAKSA-N 2 0 276.424 2.748 20 0 CFADRP CCOC(=O)CCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213090 636507580 /nfs/dbraw/zinc/50/75/80/636507580.db2.gz RGVFVSLPZWBQJW-UHFFFAOYSA-N 2 0 292.423 2.523 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C/C=C/Cl)cc1 ZINC000859214558 636508843 /nfs/dbraw/zinc/50/88/43/636508843.db2.gz KEVIEFZTMDRJTF-RUDMXATFSA-N 2 0 252.789 2.933 20 0 CFADRP COCCCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215212 636508917 /nfs/dbraw/zinc/50/89/17/636508917.db2.gz YRCNDVRAFIGXOA-UHFFFAOYSA-N 2 0 278.440 2.997 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1CCC=CO1)C(C)(C)C ZINC000194441351 636779091 /nfs/dbraw/zinc/77/90/91/636779091.db2.gz RYNYQEVSYSGXSH-KBPBESRZSA-N 2 0 254.418 2.635 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194608111 636793727 /nfs/dbraw/zinc/79/37/27/636793727.db2.gz URFKUKLSBDNYAR-ZOBUZTSGSA-N 2 0 278.440 2.922 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1F ZINC000119104512 637503145 /nfs/dbraw/zinc/50/31/45/637503145.db2.gz UJKMZRTVLYETBB-ZDUSSCGKSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)nc1 ZINC000188991921 650355431 /nfs/dbraw/zinc/35/54/31/650355431.db2.gz SBFIUBZVZJFSQI-AWEZNQCLSA-N 2 0 279.403 2.965 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cc2c1 ZINC000863539567 637688960 /nfs/dbraw/zinc/68/89/60/637688960.db2.gz FEOQGSLVUNRJIJ-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@H](CCNCc1ccc(F)nc1)[NH+]1CCCCC1 ZINC000189180471 650366950 /nfs/dbraw/zinc/36/69/50/650366950.db2.gz PPQWJAUSHDJPIT-CYBMUJFWSA-N 2 0 265.376 2.575 20 0 CFADRP C[NH+](C)[C@@H]1C[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1(C)C ZINC000864090141 637870998 /nfs/dbraw/zinc/87/09/98/637870998.db2.gz AVIJGSRAFAUZGL-NWDGAFQWSA-N 2 0 287.329 2.663 20 0 CFADRP CC[C@H]1CCN(C(=[NH2+])NCCCCC[NH+]2CCCC2)C1 ZINC000864466928 637993169 /nfs/dbraw/zinc/99/31/69/637993169.db2.gz NYLRHBMMNYKTIC-HNNXBMFYSA-N 2 0 280.460 2.509 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(-n2ccnc2)c1 ZINC000189892207 650400233 /nfs/dbraw/zinc/40/02/33/650400233.db2.gz WMCLELLWAXLHJL-COXVUDFISA-N 2 0 285.391 2.826 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865435097 638332452 /nfs/dbraw/zinc/33/24/52/638332452.db2.gz CDJBGXAWPPURGT-UHFFFAOYSA-N 2 0 290.329 2.859 20 0 CFADRP C[C@H]1C[C@H](Nc2ccncc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000865600923 638451149 /nfs/dbraw/zinc/45/11/49/638451149.db2.gz VJDRTRVPVSWDDQ-UWVGGRQHSA-N 2 0 285.313 2.559 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC000865715329 638531454 /nfs/dbraw/zinc/53/14/54/638531454.db2.gz OVQYSICMGQYVRY-UHFFFAOYSA-N 2 0 261.413 2.682 20 0 CFADRP CCn1nccc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716616 638531634 /nfs/dbraw/zinc/53/16/34/638531634.db2.gz BIXBACMXAVRVNL-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP C[N@H+](CCCCNc1cc[nH+]cc1C(F)(F)F)C1CC1 ZINC000865865947 638626222 /nfs/dbraw/zinc/62/62/22/638626222.db2.gz BGTCVENMIWSKEZ-UHFFFAOYSA-N 2 0 287.329 2.809 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cccc(C)c2)C1 ZINC000866236224 638776359 /nfs/dbraw/zinc/77/63/59/638776359.db2.gz ATLAEBVRLRMIPC-DOTOQJQBSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000866236698 638776837 /nfs/dbraw/zinc/77/68/37/638776837.db2.gz BSMXHRFEXARPSI-OIISXLGYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000866348456 638801277 /nfs/dbraw/zinc/80/12/77/638801277.db2.gz BONSGOXEOMWJFH-HNNXBMFYSA-N 2 0 287.451 2.867 20 0 CFADRP CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866362034 638803848 /nfs/dbraw/zinc/80/38/48/638803848.db2.gz YGQUPJNCLFKLAJ-GJZGRUSLSA-N 2 0 263.429 2.721 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866373510 638808240 /nfs/dbraw/zinc/80/82/40/638808240.db2.gz OOOZNYWIQZGJTD-HYVNUMGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)[C@@H]2CCC[C@H]21 ZINC000866401956 638815227 /nfs/dbraw/zinc/81/52/27/638815227.db2.gz FACFMJMAGQTPRS-CBBWQLFWSA-N 2 0 268.470 2.592 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)CC[C@H]2O)CC1 ZINC000866453236 638824902 /nfs/dbraw/zinc/82/49/02/638824902.db2.gz JZXUXFSZIPISPB-HUUCEWRRSA-N 2 0 282.472 2.779 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467626 638826135 /nfs/dbraw/zinc/82/61/35/638826135.db2.gz MDXNGGFQQGWTGL-KBPBESRZSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000866467598 638826331 /nfs/dbraw/zinc/82/63/31/638826331.db2.gz LQYCEBZMNZFWJM-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467629 638826385 /nfs/dbraw/zinc/82/63/85/638826385.db2.gz MDXNGGFQQGWTGL-ZIAGYGMSSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000866468301 638826580 /nfs/dbraw/zinc/82/65/80/638826580.db2.gz DOLDBPLWVBLYRB-GDBMZVCRSA-N 2 0 290.455 2.989 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866509878 638832843 /nfs/dbraw/zinc/83/28/43/638832843.db2.gz FRPSYNOKAQLYJP-FUHWJXTLSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000866515837 638833928 /nfs/dbraw/zinc/83/39/28/638833928.db2.gz JUQMWAHQJDXDHX-UHFFFAOYSA-N 3 0 293.499 2.713 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516757 638834360 /nfs/dbraw/zinc/83/43/60/638834360.db2.gz UDEIYTBBWDNNKK-NUYPLMSZSA-N 2 0 264.417 2.632 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)n(C)n1 ZINC000866518333 638834422 /nfs/dbraw/zinc/83/44/22/638834422.db2.gz XOCRZRLRZKVKIZ-HLIUYOAVSA-N 2 0 278.444 2.642 20 0 CFADRP CC[NH+]1CCC(NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000866559199 638844322 /nfs/dbraw/zinc/84/43/22/638844322.db2.gz ACKYAHVGZXONIR-GOSISDBHSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H](c1cccc(F)c1)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584815 638849060 /nfs/dbraw/zinc/84/90/60/638849060.db2.gz RAWRAYIKOPIWDB-XPKDYRNWSA-N 2 0 262.372 2.913 20 0 CFADRP C[C@H](c1cccc(F)c1)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866584814 638849324 /nfs/dbraw/zinc/84/93/24/638849324.db2.gz RAWRAYIKOPIWDB-XNRPHZJLSA-N 2 0 262.372 2.913 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000866585433 638849333 /nfs/dbraw/zinc/84/93/33/638849333.db2.gz YBAGIZJMVBLCSV-DJIMGWMZSA-N 2 0 256.393 2.700 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1Cl ZINC000866665881 638863064 /nfs/dbraw/zinc/86/30/64/638863064.db2.gz JUSKULGRFJVTJG-KBPBESRZSA-N 2 0 293.842 2.865 20 0 CFADRP CC1(C)CC[C@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)OC1 ZINC000866666120 638863133 /nfs/dbraw/zinc/86/31/33/638863133.db2.gz NXUYDHCBASATMW-HZPDHXFCSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1coc(C3CC3)n1)CC[NH2+]CC2 ZINC000866667780 638863511 /nfs/dbraw/zinc/86/35/11/638863511.db2.gz YDPHYSDTJCHUNW-LBPRGKRZSA-N 2 0 275.396 2.516 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCCCCCC[NH3+])CC1 ZINC000866672856 638864082 /nfs/dbraw/zinc/86/40/82/638864082.db2.gz SAFPLLOPHVKMOQ-UHFFFAOYSA-N 3 0 281.488 2.846 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1CCC1CC[NH2+]CC1 ZINC000866701659 638867411 /nfs/dbraw/zinc/86/74/11/638867411.db2.gz LWIJNMYLQQFBOQ-MRXNPFEDSA-N 2 0 273.424 2.675 20 0 CFADRP COc1ccc([C@H]2C[N@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000866703012 638867730 /nfs/dbraw/zinc/86/77/30/638867730.db2.gz IHJRLHKCQYWRMT-QGZVFWFLSA-N 2 0 292.423 2.588 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000866705887 638868025 /nfs/dbraw/zinc/86/80/25/638868025.db2.gz IVFMNNFYTLDYFG-CYBMUJFWSA-N 2 0 296.377 2.652 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)C[NH2+]CC2 ZINC000866704628 638868395 /nfs/dbraw/zinc/86/83/95/638868395.db2.gz WQIGPPIVUAFXPC-NVXWUHKLSA-N 2 0 288.460 2.517 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCCOC1 ZINC000872018487 641549562 /nfs/dbraw/zinc/54/95/62/641549562.db2.gz MJSDFZZUWMWQDT-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C1CC1 ZINC000872025204 641556633 /nfs/dbraw/zinc/55/66/33/641556633.db2.gz IBRHOIMNLNLVKN-RRFJBIMHSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1nccn1CCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872025288 641557193 /nfs/dbraw/zinc/55/71/93/641557193.db2.gz JYKNTODLJFKINT-LLVKDONJSA-N 2 0 277.343 2.777 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872041648 641576989 /nfs/dbraw/zinc/57/69/89/641576989.db2.gz JKTAGIJJXKRDLX-OCCSQVGLSA-N 2 0 298.402 2.539 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872059725 641592016 /nfs/dbraw/zinc/59/20/16/641592016.db2.gz ILBIIGVVAYFNDT-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(O)ccc1F ZINC000872060331 641593138 /nfs/dbraw/zinc/59/31/38/641593138.db2.gz OZKKCUYSPAFYOK-GFCCVEGCSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(O)ccc1F ZINC000872060332 641593500 /nfs/dbraw/zinc/59/35/00/641593500.db2.gz OZKKCUYSPAFYOK-LBPRGKRZSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCCOC1 ZINC000872062322 641593976 /nfs/dbraw/zinc/59/39/76/641593976.db2.gz LVVZQBLNZXRUSV-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCCOC1 ZINC000872062319 641594235 /nfs/dbraw/zinc/59/42/35/641594235.db2.gz LVVZQBLNZXRUSV-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000872115166 641645669 /nfs/dbraw/zinc/64/56/69/641645669.db2.gz IGNOFEZHJFVBSQ-OAGGEKHMSA-N 2 0 280.456 2.797 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000872144845 641671132 /nfs/dbraw/zinc/67/11/32/641671132.db2.gz KHGTWNNPBJQGND-BRSBDYLESA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872145802 641672412 /nfs/dbraw/zinc/67/24/12/641672412.db2.gz ZDVDTEVGJZATHE-WMLDXEAASA-N 2 0 280.456 2.643 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146371 641673932 /nfs/dbraw/zinc/67/39/32/641673932.db2.gz MIICPGSCAFKZKS-LSDHHAIUSA-N 2 0 290.455 2.712 20 0 CFADRP c1ccc2c(c1)CC[C@]21CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000872146539 641674671 /nfs/dbraw/zinc/67/46/71/641674671.db2.gz QFKQBIPVZVKFKV-GOSISDBHSA-N 2 0 270.420 2.576 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C(F)(F)F ZINC000872151189 641674730 /nfs/dbraw/zinc/67/47/30/641674730.db2.gz JHEDAUBCWJKWHO-VXGBXAGGSA-N 2 0 292.370 2.750 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1)C1CCCC1 ZINC000872156770 641677299 /nfs/dbraw/zinc/67/72/99/641677299.db2.gz MEBSEUXWZVPVSI-BFYDXBDKSA-N 2 0 280.456 2.643 20 0 CFADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCCCC[NH3+] ZINC000872155788 641677623 /nfs/dbraw/zinc/67/76/23/641677623.db2.gz ZKRUUGKMPSEFMA-BZUAXINKSA-N 2 0 297.487 2.521 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000872158278 641679582 /nfs/dbraw/zinc/67/95/82/641679582.db2.gz UPLOKHVLNCRJQO-XYJFISCASA-N 3 0 293.499 2.606 20 0 CFADRP CC[C@H](O)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223413 641708460 /nfs/dbraw/zinc/70/84/60/641708460.db2.gz RJEXFJFCMNACGU-SFHVURJKSA-N 2 0 290.451 2.649 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000872251488 641717645 /nfs/dbraw/zinc/71/76/45/641717645.db2.gz KFXSGNRSYGGYOI-INIZCTEOSA-N 2 0 298.434 2.740 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253003 641718835 /nfs/dbraw/zinc/71/88/35/641718835.db2.gz YAAHAORZMDVDII-IRXDYDNUSA-N 2 0 290.451 2.612 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000872253776 641719072 /nfs/dbraw/zinc/71/90/72/641719072.db2.gz IIFDNGNSMXEJMK-AWEZNQCLSA-N 2 0 264.388 2.736 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2C2CC2)C1 ZINC000872429046 641807734 /nfs/dbraw/zinc/80/77/34/641807734.db2.gz WGDDDTVPJSNZNF-ZDUSSCGKSA-N 2 0 259.397 2.523 20 0 CFADRP CN(CC1CC[NH+](C)CC1)c1cc[nH+]cc1C1CC1 ZINC000872442810 641812799 /nfs/dbraw/zinc/81/27/99/641812799.db2.gz PFINQTJAJGIAJL-UHFFFAOYSA-N 2 0 259.397 2.737 20 0 CFADRP CN(CC1([NH+](C)C)CCC1)c1cc[nH+]cc1C1CC1 ZINC000872517874 641842269 /nfs/dbraw/zinc/84/22/69/641842269.db2.gz BAQWUDBBWDOAGO-UHFFFAOYSA-N 2 0 259.397 2.880 20 0 CFADRP CC(C)C[C@H]1COCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873204256 642065133 /nfs/dbraw/zinc/06/51/33/642065133.db2.gz BKZVUCCQBVEPLM-AWEZNQCLSA-N 2 0 294.464 2.641 20 0 CFADRP C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208786 642067450 /nfs/dbraw/zinc/06/74/50/642067450.db2.gz VAEPYVXYNHQIQQ-JSGCOSHPSA-N 2 0 294.464 2.519 20 0 CFADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208787 642067819 /nfs/dbraw/zinc/06/78/19/642067819.db2.gz VAEPYVXYNHQIQQ-OCCSQVGLSA-N 2 0 294.464 2.519 20 0 CFADRP Cc1ccccc1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211558 642069308 /nfs/dbraw/zinc/06/93/08/642069308.db2.gz CCBANJYUNRWANS-UHFFFAOYSA-N 2 0 272.417 2.992 20 0 CFADRP C[C@]1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC=CCC1 ZINC000873213777 642070584 /nfs/dbraw/zinc/07/05/84/642070584.db2.gz PJQKVLHMYUJFFN-HNNXBMFYSA-N 2 0 262.422 2.982 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1F ZINC000873219939 642072581 /nfs/dbraw/zinc/07/25/81/642072581.db2.gz CEJGEVYLTLUKIJ-GFCCVEGCSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220185 642072594 /nfs/dbraw/zinc/07/25/94/642072594.db2.gz LCMQIFWOURMHBG-STQMWFEESA-N 2 0 264.388 2.734 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H](C)C3CC[NH2+]CC3)cc2c1 ZINC000873220176 642072820 /nfs/dbraw/zinc/07/28/20/642072820.db2.gz GOLXKFFTXVXGBI-GFCCVEGCSA-N 2 0 288.391 2.919 20 0 CFADRP C[C@@H]([NH2+]CCSCc1ccccc1)C1CC[NH2+]CC1 ZINC000873219700 642072950 /nfs/dbraw/zinc/07/29/50/642072950.db2.gz FHGTZRZHADLBFL-CQSZACIVSA-N 2 0 278.465 2.898 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873219990 642073110 /nfs/dbraw/zinc/07/31/10/642073110.db2.gz FFPBONZUVGSVNI-NXEZZACHSA-N 2 0 252.324 2.695 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873221091 642073700 /nfs/dbraw/zinc/07/37/00/642073700.db2.gz KPPXLXIBMKULDU-CQSZACIVSA-N 2 0 298.434 2.863 20 0 CFADRP CCn1nc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c2ccccc21 ZINC000873220667 642073774 /nfs/dbraw/zinc/07/37/74/642073774.db2.gz QXRCDMNKLHMBAN-ZDUSSCGKSA-N 2 0 286.423 2.534 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000873221372 642074057 /nfs/dbraw/zinc/07/40/57/642074057.db2.gz SDWKVNVPBQDZHM-OAHLLOKOSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C1CC[NH2+]CC1 ZINC000873222350 642074886 /nfs/dbraw/zinc/07/48/86/642074886.db2.gz OKEZOQLDNVADKJ-VIFPVBQESA-N 2 0 272.314 2.582 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cnc1Cl ZINC000873222457 642076527 /nfs/dbraw/zinc/07/65/27/642076527.db2.gz UOERPRGYUKNHCC-NSHDSACASA-N 2 0 267.804 2.521 20 0 CFADRP CCc1ccc(C[NH2+]C2(CCOC)CC[NH2+]CC2)s1 ZINC000873225464 642078290 /nfs/dbraw/zinc/07/82/90/642078290.db2.gz ZGFBQUSAPAXUEC-UHFFFAOYSA-N 2 0 282.453 2.559 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)CC[NH2+]C1 ZINC000873226857 642079038 /nfs/dbraw/zinc/07/90/38/642079038.db2.gz CKORQATXBQJPQG-ROUUACIJSA-N 2 0 270.420 2.576 20 0 CFADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231978 642084844 /nfs/dbraw/zinc/08/48/44/642084844.db2.gz HZSJTVOGYAUHCF-NXHRZFHOSA-N 2 0 295.515 2.837 20 0 CFADRP c1ccc(OCCCC[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873231994 642085654 /nfs/dbraw/zinc/08/56/54/642085654.db2.gz SLVOQODOWARXCS-DLBZAZTESA-N 2 0 274.408 2.720 20 0 CFADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873232270 642085721 /nfs/dbraw/zinc/08/57/21/642085721.db2.gz NWTCDUOJBHAQMJ-YOEHRIQHSA-N 2 0 290.455 2.838 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccnn1-c1ccccc1 ZINC000873231696 642085913 /nfs/dbraw/zinc/08/59/13/642085913.db2.gz UKYCDTARFDKMCC-UHFFFAOYSA-N 2 0 286.423 2.823 20 0 CFADRP C([NH2+][C@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCSC1 ZINC000873232787 642086323 /nfs/dbraw/zinc/08/63/23/642086323.db2.gz LRZQCNBEVPQAHG-KGLIPLIRSA-N 2 0 268.470 2.642 20 0 CFADRP Cc1ncsc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873233050 642086484 /nfs/dbraw/zinc/08/64/84/642086484.db2.gz XRLJGEAPAZOBLH-CQSZACIVSA-N 2 0 279.453 2.854 20 0 CFADRP c1csc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000873232595 642087438 /nfs/dbraw/zinc/08/74/38/642087438.db2.gz HZXDTLAEOHZXGZ-LBPRGKRZSA-N 2 0 265.426 2.545 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000873235806 642087857 /nfs/dbraw/zinc/08/78/57/642087857.db2.gz RDXRXFCEOBNGNA-WCQYABFASA-N 2 0 279.453 2.643 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)nc1 ZINC000873239879 642090562 /nfs/dbraw/zinc/09/05/62/642090562.db2.gz FMJOIECUIBODBS-NQBHXWOUSA-N 2 0 267.804 2.903 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCC2(CC2)CC1 ZINC000873243342 642092335 /nfs/dbraw/zinc/09/23/35/642092335.db2.gz WYBVWXOWVAVTEQ-ULQDDVLXSA-N 2 0 292.467 2.704 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC12CCOCC2 ZINC000873248359 642094932 /nfs/dbraw/zinc/09/49/32/642094932.db2.gz DPAHBTITXPCUKI-LTIDMASMSA-N 2 0 292.467 2.704 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873249482 642095368 /nfs/dbraw/zinc/09/53/68/642095368.db2.gz AUVTVPIBXHCWRH-WDEREUQCSA-N 2 0 284.391 2.650 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873249043 642095998 /nfs/dbraw/zinc/09/59/98/642095998.db2.gz HNNATLHIDHRGOY-IFUGULHKSA-N 2 0 268.351 2.989 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000873250968 642096947 /nfs/dbraw/zinc/09/69/47/642096947.db2.gz JXQIVFCKZQJDJQ-MWNCTCPHSA-N 2 0 262.372 2.789 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000873250112 642097219 /nfs/dbraw/zinc/09/72/19/642097219.db2.gz DVKRIRQBIZGLEI-NVBFEUDRSA-N 2 0 289.379 2.557 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251969 642097570 /nfs/dbraw/zinc/09/75/70/642097570.db2.gz ZCRDGLLLZYLKQO-BFQNTYOBSA-N 2 0 274.408 2.745 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873252237 642098077 /nfs/dbraw/zinc/09/80/77/642098077.db2.gz QSAFRTYLSLCIBR-OYNCUSHFSA-N 2 0 288.222 2.964 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000873252216 642098199 /nfs/dbraw/zinc/09/81/99/642098199.db2.gz QGYKITJBGWQCSI-BJJXKVORSA-N 2 0 262.397 2.719 20 0 CFADRP Cc1cc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C2CC2)ccc1F ZINC000873253030 642098632 /nfs/dbraw/zinc/09/86/32/642098632.db2.gz XXIRPYDVOKJMCE-PEYYIBSZSA-N 2 0 262.372 2.912 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252721 642098825 /nfs/dbraw/zinc/09/88/25/642098825.db2.gz QRHOIJRBFRLKEO-DKIMLUQUSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873253434 642099069 /nfs/dbraw/zinc/09/90/69/642099069.db2.gz XNMKGRDVDHOOTB-UMSGYPCISA-N 2 0 276.346 2.991 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873252498 642099142 /nfs/dbraw/zinc/09/91/42/642099142.db2.gz ORNYPPMOQDXDDO-FIQHERPVSA-N 2 0 264.335 2.847 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253706 642099889 /nfs/dbraw/zinc/09/98/89/642099889.db2.gz CSLQSNNOZFFYDR-PVTKRXDGSA-N 2 0 262.372 2.776 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1sccc1Br ZINC000873254616 642100989 /nfs/dbraw/zinc/10/09/89/642100989.db2.gz YIEXZSLNHVLHLK-XHNCKOQMSA-N 2 0 289.242 2.899 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000873254738 642101067 /nfs/dbraw/zinc/10/10/67/642101067.db2.gz BRIAXSFMBAPYIH-GARJFASQSA-N 2 0 270.323 2.676 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccc2ccccc21 ZINC000873256376 642101756 /nfs/dbraw/zinc/10/17/56/642101756.db2.gz MDAQYJQTKICXNG-OBJOEFQTSA-N 2 0 255.365 2.623 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000873256977 642102411 /nfs/dbraw/zinc/10/24/11/642102411.db2.gz CEFQSFOWWOHOPV-IWSPIJDZSA-N 2 0 289.242 2.899 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C(C)C)cc1 ZINC000873257639 642103580 /nfs/dbraw/zinc/10/35/80/642103580.db2.gz USFQDHJXPPMSQE-BRWVUGGUSA-N 2 0 260.425 2.889 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000873258499 642103672 /nfs/dbraw/zinc/10/36/72/642103672.db2.gz SBNOSCAWFPXASP-QAETUUGQSA-N 2 0 258.409 2.725 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873259092 642104216 /nfs/dbraw/zinc/10/42/16/642104216.db2.gz ZCRDGLLLZYLKQO-XHBSWPGZSA-N 2 0 274.408 2.745 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260233 642105412 /nfs/dbraw/zinc/10/54/12/642105412.db2.gz WBJPHVYWSVAJAQ-SDNTUTLCSA-N 2 0 276.399 2.877 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260106 642105668 /nfs/dbraw/zinc/10/56/68/642105668.db2.gz SGDBAUVGYLKKQG-TXCZRRACSA-N 2 0 288.435 2.746 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873267076 642110568 /nfs/dbraw/zinc/11/05/68/642110568.db2.gz WHCQAOJTZHZAKO-SOLBZPMBSA-N 2 0 289.467 2.757 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c(C)n1 ZINC000873271530 642112541 /nfs/dbraw/zinc/11/25/41/642112541.db2.gz INDJZXXQCWGLIE-JSGCOSHPSA-N 2 0 261.413 2.737 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1F ZINC000873270789 642112955 /nfs/dbraw/zinc/11/29/55/642112955.db2.gz AADUJJOOAMAKNT-NWDGAFQWSA-N 2 0 280.387 2.873 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccn1 ZINC000873272352 642113440 /nfs/dbraw/zinc/11/34/40/642113440.db2.gz SMHWUFUBYYEVPG-XJKSGUPXSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000873271975 642113735 /nfs/dbraw/zinc/11/37/35/642113735.db2.gz NZPZLNQHLXCSLT-WDEREUQCSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000873276048 642115006 /nfs/dbraw/zinc/11/50/06/642115006.db2.gz QKWGQKAZLVTYMZ-ZQIUZPCESA-N 2 0 275.440 2.898 20 0 CFADRP CCC1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873288886 642122145 /nfs/dbraw/zinc/12/21/45/642122145.db2.gz BXPWDMSJPZMDMV-UYSNPLJNSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873291145 642122747 /nfs/dbraw/zinc/12/27/47/642122747.db2.gz URZOEXSGQLMIJM-IRXDYDNUSA-N 2 0 288.435 2.886 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873290383 642122790 /nfs/dbraw/zinc/12/27/90/642122790.db2.gz QBDOULOKEAHUAY-XJKSGUPXSA-N 2 0 292.398 2.635 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(F)c1 ZINC000873290161 642123201 /nfs/dbraw/zinc/12/32/01/642123201.db2.gz OGOUSBDZSUAJFD-BBRMVZONSA-N 2 0 292.398 2.635 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291307 642123669 /nfs/dbraw/zinc/12/36/69/642123669.db2.gz JMBGPMDUQGPUDF-QXSJWSMHSA-N 2 0 280.456 2.559 20 0 CFADRP C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292032 642123917 /nfs/dbraw/zinc/12/39/17/642123917.db2.gz KSYYHMBPNMMTHW-SJORKVTESA-N 2 0 292.467 2.704 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873291445 642124053 /nfs/dbraw/zinc/12/40/53/642124053.db2.gz VWHNELHINWKGSX-WBVHZDCISA-N 2 0 288.435 2.804 20 0 CFADRP CCCC(CCC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292066 642124144 /nfs/dbraw/zinc/12/41/44/642124144.db2.gz YTONBCASQSVLJG-OAHLLOKOSA-N 2 0 268.445 2.704 20 0 CFADRP CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873293144 642124881 /nfs/dbraw/zinc/12/48/81/642124881.db2.gz YHGXBQUVELHFKU-HUUCEWRRSA-N 2 0 280.456 2.704 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCC1 ZINC000873293490 642124977 /nfs/dbraw/zinc/12/49/77/642124977.db2.gz KWYITTFTMCIAMD-HOTGVXAUSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873293833 642125024 /nfs/dbraw/zinc/12/50/24/642125024.db2.gz PVYQMBUUXUMFPV-DLBZAZTESA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)oc1C ZINC000873294585 642125845 /nfs/dbraw/zinc/12/58/45/642125845.db2.gz XAAHFLXUEISXRP-UKRRQHHQSA-N 2 0 292.423 2.706 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000873294777 642126010 /nfs/dbraw/zinc/12/60/10/642126010.db2.gz ZXGLOJSURJCAKP-QZWWFDLISA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](NC1CC(Nc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000873295933 642126817 /nfs/dbraw/zinc/12/68/17/642126817.db2.gz SPPSNILHRJDAJK-LYAPFXNSSA-N 2 0 273.424 2.750 20 0 CFADRP Cc1cc(NCC(C)(C)[NH+]2CCOCC2)ccc1N(C)C ZINC000876845059 643035647 /nfs/dbraw/zinc/03/56/47/643035647.db2.gz ODKYTUPATZKGBI-UHFFFAOYSA-N 2 0 291.439 2.584 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000876886716 643052433 /nfs/dbraw/zinc/05/24/33/643052433.db2.gz YOAACPPZHPTNOS-UHFFFAOYSA-N 2 0 282.472 2.924 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876918081 643064386 /nfs/dbraw/zinc/06/43/86/643064386.db2.gz YBRYLJILKNUZTM-JTQLQIEISA-N 2 0 253.217 2.500 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)C[NH+]1CCCCC1 ZINC000876948493 643075084 /nfs/dbraw/zinc/07/50/84/643075084.db2.gz NAYFHCNGOXLJMK-NEPJUHHUSA-N 2 0 279.255 2.892 20 0 CFADRP FC(F)(F)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000088420843 650812685 /nfs/dbraw/zinc/81/26/85/650812685.db2.gz WEQXIQLPPLJESV-NSHDSACASA-N 2 0 264.335 2.650 20 0 CFADRP Cc1nnsc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000877020464 643106964 /nfs/dbraw/zinc/10/69/64/643106964.db2.gz USLFPTUAMWGIKW-UHFFFAOYSA-N 2 0 296.484 2.982 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)OC ZINC000877113594 643157532 /nfs/dbraw/zinc/15/75/32/643157532.db2.gz CTLVWVWHOIOGLK-LBDPXKHJSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000877138959 643172729 /nfs/dbraw/zinc/17/27/29/643172729.db2.gz TUULOELHVNKMCX-MRXNPFEDSA-N 2 0 288.435 2.833 20 0 CFADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000877143644 643176488 /nfs/dbraw/zinc/17/64/88/643176488.db2.gz UMPMIOFVWLEBCB-AUUYWEPGSA-N 2 0 290.388 2.785 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2C[C@H]2CC2(Cl)Cl)CC1 ZINC000877457798 643279406 /nfs/dbraw/zinc/27/94/06/643279406.db2.gz CELUMIGUYBMLKS-LLVKDONJSA-N 2 0 277.239 2.740 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000877481302 643298698 /nfs/dbraw/zinc/29/86/98/643298698.db2.gz CEZMLCZDODDJOV-LLVKDONJSA-N 2 0 277.239 2.644 20 0 CFADRP CC[C@@H](C)[C@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497302 643309925 /nfs/dbraw/zinc/30/99/25/643309925.db2.gz MTPFDCYWMNBDPE-CVEARBPZSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877596067 643387919 /nfs/dbraw/zinc/38/79/19/643387919.db2.gz MPXYAZMCWKQNRV-UHFFFAOYSA-N 2 0 281.831 2.885 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877596415 643389358 /nfs/dbraw/zinc/38/93/58/643389358.db2.gz RDGRXFPRHUATOP-UHFFFAOYSA-N 2 0 273.833 2.759 20 0 CFADRP COCC[N@H+](CC1CC[NH+](C)CC1)CC1(C(C)C)CC1 ZINC000877663869 643440120 /nfs/dbraw/zinc/44/01/20/643440120.db2.gz CCOUKSCWVQQKRO-UHFFFAOYSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684329 643453144 /nfs/dbraw/zinc/45/31/44/643453144.db2.gz MGZYYPGAXFCSGB-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCC1CCOCC1)CC2 ZINC000877684138 643453503 /nfs/dbraw/zinc/45/35/03/643453503.db2.gz IBMOFKYOOGCOOA-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CCC[C@H](C[NH2+]CCC1CC[NH+](C(C)C)CC1)OC ZINC000877698223 643460338 /nfs/dbraw/zinc/46/03/38/643460338.db2.gz VWRKLEQZFYLBOS-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718372 643481935 /nfs/dbraw/zinc/48/19/35/643481935.db2.gz JVIAETZVPXLGAB-HOTGVXAUSA-N 2 0 290.451 2.663 20 0 CFADRP CC(C)C(C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)C(C)C ZINC000877746628 643525632 /nfs/dbraw/zinc/52/56/32/643525632.db2.gz UPMBZTJRNKYUQU-UHFFFAOYSA-N 2 0 295.515 2.626 20 0 CFADRP CC(C)C[N@@H+](Cc1ccc(CO)o1)CC1CC[NH+](C)CC1 ZINC000877767917 643546828 /nfs/dbraw/zinc/54/68/28/643546828.db2.gz YXXLHVPLAPLXJB-UHFFFAOYSA-N 2 0 294.439 2.572 20 0 CFADRP CCn1ccnc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767688 643547010 /nfs/dbraw/zinc/54/70/10/643547010.db2.gz TVQXWRWQTDIICA-UHFFFAOYSA-N 2 0 292.471 2.703 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794094 643559410 /nfs/dbraw/zinc/55/94/10/643559410.db2.gz GILBKYKVFCZFIE-HUUCEWRRSA-N 2 0 250.430 2.983 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000878105677 643738227 /nfs/dbraw/zinc/73/82/27/643738227.db2.gz BMIAVSVFIHABJZ-TVFCKZIOSA-N 2 0 294.483 2.998 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878105291 643738341 /nfs/dbraw/zinc/73/83/41/643738341.db2.gz ZOWXTLPMJCCSTI-RYQLBKOJSA-N 2 0 288.435 2.790 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121173 643747489 /nfs/dbraw/zinc/74/74/89/643747489.db2.gz OMBQILYTNICPON-TVFCKZIOSA-N 2 0 292.467 2.894 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000878159092 643765704 /nfs/dbraw/zinc/76/57/04/643765704.db2.gz DNTHSPBXAQLNCB-YVSFHVDLSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878159887 643767282 /nfs/dbraw/zinc/76/72/82/643767282.db2.gz YQXCSXQNNGOBPI-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC(C)(C)O3)CC[C@H]21 ZINC000878197504 643790180 /nfs/dbraw/zinc/79/01/80/643790180.db2.gz NKZUTRYAZSSCQZ-BZUAXINKSA-N 2 0 280.456 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@H]3O2)[C@@H](C)C1 ZINC000878259137 643812154 /nfs/dbraw/zinc/81/21/54/643812154.db2.gz ZRROVZUKDKTXRJ-QUSNUVHPSA-N 2 0 280.456 2.606 20 0 CFADRP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878410752 643881115 /nfs/dbraw/zinc/88/11/15/643881115.db2.gz ATJPZXQRRJDXNQ-HLLBOEOZSA-N 2 0 282.472 2.636 20 0 CFADRP C=C/C=C/CC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000878447380 643899750 /nfs/dbraw/zinc/89/97/50/643899750.db2.gz MCGPKNURTIADAX-KGVXHEBISA-N 2 0 280.456 2.845 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)CC1 ZINC000878550153 643937812 /nfs/dbraw/zinc/93/78/12/643937812.db2.gz WCDATDGNPYYCJT-YESZJQIVSA-N 2 0 292.467 2.752 20 0 CFADRP C=C/C=C/CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000878655757 643978643 /nfs/dbraw/zinc/97/86/43/643978643.db2.gz YRMDBHJYKKYWSX-NHIQPCQESA-N 2 0 278.440 2.692 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000878670402 643985556 /nfs/dbraw/zinc/98/55/56/643985556.db2.gz KMPKLALLHQYSMM-OAHLLOKOSA-N 2 0 284.488 2.741 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879243353 644188355 /nfs/dbraw/zinc/18/83/55/644188355.db2.gz JTNGWGDFCGHMOU-KURKYZTESA-N 2 0 288.435 2.669 20 0 CFADRP CC(C)CC[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250263 644194720 /nfs/dbraw/zinc/19/47/20/644194720.db2.gz ATXPNVRJEUWELV-MRXNPFEDSA-N 2 0 282.472 2.591 20 0 CFADRP CCO[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CC1 ZINC000879251517 644195963 /nfs/dbraw/zinc/19/59/63/644195963.db2.gz XEBWOCLJLIINLP-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566720 644326923 /nfs/dbraw/zinc/32/69/23/644326923.db2.gz XBBSFKDRLOASGQ-HUUCEWRRSA-N 2 0 268.470 2.547 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566717 644327165 /nfs/dbraw/zinc/32/71/65/644327165.db2.gz XBBSFKDRLOASGQ-GJZGRUSLSA-N 2 0 268.470 2.547 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C2CCC([NH3+])CC2)c1 ZINC000091847554 650911009 /nfs/dbraw/zinc/91/10/09/650911009.db2.gz VSZXSORAZZXEOX-UHFFFAOYSA-N 2 0 262.397 2.576 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccsc3)CC[C@H]21 ZINC000879583765 644338645 /nfs/dbraw/zinc/33/86/45/644338645.db2.gz ZZVYULQMFBXKKN-HUUCEWRRSA-N 2 0 264.438 2.707 20 0 CFADRP C[C@@H]1C[C@H](Nc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000127957474 644386164 /nfs/dbraw/zinc/38/61/64/644386164.db2.gz ZSHWKFNJKGTXSF-GDBMZVCRSA-N 2 0 291.439 2.522 20 0 CFADRP CC(C)(C)[C@H](O)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952525 644471688 /nfs/dbraw/zinc/47/16/88/644471688.db2.gz WEYVHORWHTXRJH-OAHLLOKOSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@H](CC[NH+]1CCC(F)CC1)[NH+]1CCC(F)CC1 ZINC000880240701 644604337 /nfs/dbraw/zinc/60/43/37/644604337.db2.gz JHAOBYNOLOFGSV-GFCCVEGCSA-N 2 0 260.372 2.633 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](CC2(C)COC2)CC1 ZINC000880254544 644615138 /nfs/dbraw/zinc/61/51/38/644615138.db2.gz GGOOPNMWYPBYID-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000880255084 644615153 /nfs/dbraw/zinc/61/51/53/644615153.db2.gz ZOMGPXIBXPLXRF-MRXNPFEDSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262650 644619004 /nfs/dbraw/zinc/61/90/04/644619004.db2.gz RHVRNYNSPOWYRO-CABCVRRESA-N 2 0 282.391 2.748 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452638 650940147 /nfs/dbraw/zinc/94/01/47/650940147.db2.gz UJRULYJVDSWOPL-OKZBNKHCSA-N 2 0 288.435 2.843 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000880475449 644728541 /nfs/dbraw/zinc/72/85/41/644728541.db2.gz UOFKAXUZWVYJAI-OAGGEKHMSA-N 2 0 262.441 2.983 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000094372463 650957264 /nfs/dbraw/zinc/95/72/64/650957264.db2.gz CIMUIUHLPLUUSR-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1OC ZINC000129012521 644978217 /nfs/dbraw/zinc/97/82/17/644978217.db2.gz BGVCHKJSDAVZHY-HIFRSBDPSA-N 2 0 262.397 2.878 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129235902 645126011 /nfs/dbraw/zinc/12/60/11/645126011.db2.gz QSSHUWFEGDEHKQ-DGCLKSJQSA-N 2 0 250.411 2.857 20 0 CFADRP CSCC[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000129626765 645296594 /nfs/dbraw/zinc/29/65/94/645296594.db2.gz WLPYTZHLKJTHBN-BPNCWPANSA-N 2 0 250.411 2.862 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000129876548 645421053 /nfs/dbraw/zinc/42/10/53/645421053.db2.gz BAXHPZWVLPVRQA-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252686413 651017736 /nfs/dbraw/zinc/01/77/36/651017736.db2.gz JRAIFWJMPAIOII-IRXDYDNUSA-N 2 0 281.403 2.951 20 0 CFADRP CCc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130595760 645531893 /nfs/dbraw/zinc/53/18/93/645531893.db2.gz ZSFLTIQZGPOYBE-BBWFWOEESA-N 2 0 258.409 2.808 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2nc(C(C)C)c[nH]2)CC1 ZINC000883018809 645565507 /nfs/dbraw/zinc/56/55/07/645565507.db2.gz PQBRFDXOTATXEM-UHFFFAOYSA-N 2 0 278.444 2.745 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883186291 645649519 /nfs/dbraw/zinc/64/95/19/645649519.db2.gz OTRSGXGMOFINSE-IRXDYDNUSA-N 2 0 293.499 2.572 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883188699 645650244 /nfs/dbraw/zinc/65/02/44/645650244.db2.gz ORMGWWRKBPPJKF-JKSUJKDBSA-N 2 0 280.456 2.536 20 0 CFADRP C([C@H]1CCCO1)N1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883189633 645651327 /nfs/dbraw/zinc/65/13/27/645651327.db2.gz MCTOJLKKGMPCDJ-DLBZAZTESA-N 2 0 292.467 2.942 20 0 CFADRP FC(F)(F)CCN1CCC([NH2+]C[C@H]2C=CCC2)CC1 ZINC000883237886 645685891 /nfs/dbraw/zinc/68/58/91/645685891.db2.gz MPKYNZGIJLSBJW-LBPRGKRZSA-N 2 0 276.346 2.959 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000253194994 651040051 /nfs/dbraw/zinc/04/00/51/651040051.db2.gz QYDVCUMMMNIHTF-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP Cc1oc(-c2cccs2)nc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000131641917 645777623 /nfs/dbraw/zinc/77/76/23/645777623.db2.gz RSRKFPRHNPSLJQ-JQWIXIFHSA-N 2 0 291.420 2.881 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883416368 645808714 /nfs/dbraw/zinc/80/87/14/645808714.db2.gz SYNBZTGBACDLRJ-QWHCGFSZSA-N 2 0 260.372 2.743 20 0 CFADRP C[N@H+](C[C@H]1CCC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883415947 645809215 /nfs/dbraw/zinc/80/92/15/645809215.db2.gz ILEVKDQYOZPOMH-QZTJIDSGSA-N 2 0 288.435 2.981 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883417054 645810881 /nfs/dbraw/zinc/81/08/81/645810881.db2.gz MHTIWBMSRIDZDR-SZMVWBNQSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883417044 645811201 /nfs/dbraw/zinc/81/12/01/645811201.db2.gz MFYVUWAHECQVFA-JCGIZDLHSA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000883418296 645812720 /nfs/dbraw/zinc/81/27/20/645812720.db2.gz CRICNXNROABPFF-ZDUSSCGKSA-N 2 0 290.398 2.642 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883427550 645820333 /nfs/dbraw/zinc/82/03/33/645820333.db2.gz VIKMMLISFOIMQB-SPUZQDLCSA-N 2 0 288.435 2.966 20 0 CFADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000883428071 645821488 /nfs/dbraw/zinc/82/14/88/645821488.db2.gz KXPBXYPWQSSLJK-KGLIPLIRSA-N 2 0 272.383 2.887 20 0 CFADRP CC1(C)C[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C(C)(C)O1 ZINC000883428481 645822628 /nfs/dbraw/zinc/82/26/28/645822628.db2.gz VKGMEDOTGSQOCR-CQSZACIVSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CN(C[C@@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1[NH3+] ZINC000883430230 645823395 /nfs/dbraw/zinc/82/33/95/645823395.db2.gz PUIFZLQDCPSUDB-XLNGHYISSA-N 2 0 274.408 2.576 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429634 645823559 /nfs/dbraw/zinc/82/35/59/645823559.db2.gz ANYVJUALWWFHOK-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429635 645824009 /nfs/dbraw/zinc/82/40/09/645824009.db2.gz ANYVJUALWWFHOK-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)O1 ZINC000883430077 645824181 /nfs/dbraw/zinc/82/41/81/645824181.db2.gz MRPJDUNLQUEEAY-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000883462177 645843472 /nfs/dbraw/zinc/84/34/72/645843472.db2.gz LMMRTZYTZVPUJN-DOMZBBRYSA-N 2 0 259.397 2.521 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000883464570 645846467 /nfs/dbraw/zinc/84/64/67/645846467.db2.gz QPJIJAHWWZFIDA-INIZCTEOSA-N 2 0 273.424 2.911 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)CC1 ZINC000305114815 651050170 /nfs/dbraw/zinc/05/01/70/651050170.db2.gz HNMBXNPAMGGPEC-GUYCJALGSA-N 2 0 294.414 2.712 20 0 CFADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000884228583 646267531 /nfs/dbraw/zinc/26/75/31/646267531.db2.gz TXPUNLNLCIJJJD-INIZCTEOSA-N 2 0 291.439 2.629 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]Cc1cncc2ccccc21 ZINC000135370023 646526266 /nfs/dbraw/zinc/52/62/66/646526266.db2.gz BKYIWPDLVFOUDM-UHFFFAOYSA-N 2 0 271.408 2.912 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000885926746 646770800 /nfs/dbraw/zinc/77/08/00/646770800.db2.gz HVTLWVSMDSTULZ-DOTOQJQBSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CCCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000885951573 646779756 /nfs/dbraw/zinc/77/97/56/646779756.db2.gz KYBVCZFHCHFUDW-SOFGYWHQSA-N 2 0 250.361 2.770 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C/C=C/c1cccc(F)c1 ZINC000885954068 646781481 /nfs/dbraw/zinc/78/14/81/646781481.db2.gz MSXXHMMPEMFHSM-IYNGYCSASA-N 2 0 250.361 2.769 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885955856 646782008 /nfs/dbraw/zinc/78/20/08/646782008.db2.gz CMANZLCDVVZKIX-ZWKOTPCHSA-N 2 0 294.483 2.998 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000885959050 646784302 /nfs/dbraw/zinc/78/43/02/646784302.db2.gz RHOOSIJQHXZBTC-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885983296 646795619 /nfs/dbraw/zinc/79/56/19/646795619.db2.gz CJSKHLWXNFKLOL-ZWKOTPCHSA-N 2 0 294.483 2.996 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885983293 646795860 /nfs/dbraw/zinc/79/58/60/646795860.db2.gz CJSKHLWXNFKLOL-MSOLQXFVSA-N 2 0 294.483 2.996 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886080822 646857107 /nfs/dbraw/zinc/85/71/07/646857107.db2.gz GKIVDWHFJCOCRN-UYTYNIKBSA-N 2 0 292.467 2.606 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(Cl)cn1)C1CC1 ZINC000886138700 646890751 /nfs/dbraw/zinc/89/07/51/646890751.db2.gz RCAGEBKAHOBERI-UHFFFAOYSA-N 2 0 267.804 2.699 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886202794 646917743 /nfs/dbraw/zinc/91/77/43/646917743.db2.gz FASYFKRMGCVMMI-BFZKSOEOSA-N 2 0 278.440 2.501 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC1(C)C ZINC000886316436 646966623 /nfs/dbraw/zinc/96/66/23/646966623.db2.gz BLKBHBAZWNIWFR-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](c2cnn(C)c2)C(C)C)CC1 ZINC000886522029 647026500 /nfs/dbraw/zinc/02/65/00/647026500.db2.gz ATOXXOKXBPEFEL-KRWDZBQOSA-N 2 0 292.471 2.829 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)on1 ZINC000886522745 647027564 /nfs/dbraw/zinc/02/75/64/647027564.db2.gz QBFVWGHVHPUXEA-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886524133 647027892 /nfs/dbraw/zinc/02/78/92/647027892.db2.gz DGGRUCJLAOXDMH-WWDZGPRUSA-N 3 0 293.499 2.715 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000886522874 647027978 /nfs/dbraw/zinc/02/79/78/647027978.db2.gz SEDPLARXGKPUEE-WBVHZDCISA-N 2 0 292.471 2.827 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000886524296 647029464 /nfs/dbraw/zinc/02/94/64/647029464.db2.gz HUMZJMVILRHVPC-KLHKWILBSA-N 2 0 293.499 2.856 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H](CCO)C2CC2)CC1 ZINC000886549088 647043069 /nfs/dbraw/zinc/04/30/69/647043069.db2.gz BNQCQYWDTXVCCJ-AQFXKWCLSA-N 2 0 280.456 2.534 20 0 CFADRP COCC1([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886576223 647052743 /nfs/dbraw/zinc/05/27/43/647052743.db2.gz AKJDSHQZYKEPMJ-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)OCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886588360 647056443 /nfs/dbraw/zinc/05/64/43/647056443.db2.gz POGBRSAJHXGDDC-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886638241 647081368 /nfs/dbraw/zinc/08/13/68/647081368.db2.gz OXMOODNRMYCQQI-GYXIZQIFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccnn1C ZINC000886648466 647087074 /nfs/dbraw/zinc/08/70/74/647087074.db2.gz UOQJQOSSIQMYKR-UQPPLGOBSA-N 2 0 290.455 2.868 20 0 CFADRP CCC1([NH+]2CCC2)CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000886709728 647119057 /nfs/dbraw/zinc/11/90/57/647119057.db2.gz XKSWHSDODZGSLU-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP CCOC1CC(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)C1 ZINC000886718004 647120735 /nfs/dbraw/zinc/12/07/35/647120735.db2.gz OQTUMINKCSLSJK-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000886719578 647121602 /nfs/dbraw/zinc/12/16/02/647121602.db2.gz AAFPJBKHWJWKJK-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2cc(F)ccc2OC)CC1 ZINC000886721758 647122677 /nfs/dbraw/zinc/12/26/77/647122677.db2.gz JYDYNBWRGNOPAU-UHFFFAOYSA-N 2 0 294.414 2.841 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC[N@@H+]1C ZINC000886774014 647133403 /nfs/dbraw/zinc/13/34/03/647133403.db2.gz GCZRWJBNBQYMII-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000886858405 647162173 /nfs/dbraw/zinc/16/21/73/647162173.db2.gz ZDTOLVAHCHTQBZ-PVAVHDDUSA-N 2 0 286.419 2.591 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000886858403 647162937 /nfs/dbraw/zinc/16/29/37/647162937.db2.gz ZDTOLVAHCHTQBZ-HYVNUMGLSA-N 2 0 286.419 2.591 20 0 CFADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000886857935 647163149 /nfs/dbraw/zinc/16/31/49/647163149.db2.gz GILLVKJSZTZRLW-AVGNSLFASA-N 2 0 276.346 2.650 20 0 CFADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000886858072 647163207 /nfs/dbraw/zinc/16/32/07/647163207.db2.gz LGTAGTKWWXUWAH-AVGNSLFASA-N 2 0 276.346 2.650 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871777 647165319 /nfs/dbraw/zinc/16/53/19/647165319.db2.gz ATWRUDNWDIOAIZ-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876055 647166471 /nfs/dbraw/zinc/16/64/71/647166471.db2.gz BOYUZQKZEDQYAG-CVEARBPZSA-N 2 0 278.440 2.554 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1=CCCC1 ZINC000887134429 647223883 /nfs/dbraw/zinc/22/38/83/647223883.db2.gz JQSMHVHQSVYWGT-AWEZNQCLSA-N 2 0 257.381 2.702 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccsc1 ZINC000887134946 647223940 /nfs/dbraw/zinc/22/39/40/647223940.db2.gz SWCSVTDXZQHXHJ-ZDUSSCGKSA-N 2 0 273.405 2.854 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000887134346 647224042 /nfs/dbraw/zinc/22/40/42/647224042.db2.gz IDPFSPCNDUCDQL-WBVHZDCISA-N 2 0 289.423 2.551 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222946561 647327411 /nfs/dbraw/zinc/32/74/11/647327411.db2.gz WRCKBXLQWCYWFW-YNEHKIRRSA-N 2 0 278.396 2.624 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000300690671 647348300 /nfs/dbraw/zinc/34/83/00/647348300.db2.gz MKPLDCMPPNFADM-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP CCN1CCC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925494844 647845604 /nfs/dbraw/zinc/84/56/04/647845604.db2.gz PGNAFBSWXLVPPB-DLBZAZTESA-N 2 0 275.440 2.541 20 0 CFADRP CN(CCCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925496252 647871268 /nfs/dbraw/zinc/87/12/68/647871268.db2.gz UFKQUCULLOSZIC-KRWDZBQOSA-N 2 0 287.451 2.777 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000924528861 647986107 /nfs/dbraw/zinc/98/61/07/647986107.db2.gz RICRZFUDGNOVLK-QWHCGFSZSA-N 2 0 253.390 2.836 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC)n1 ZINC000924529991 647987961 /nfs/dbraw/zinc/98/79/61/647987961.db2.gz YENIBMKBFPLXNZ-ZIAGYGMSSA-N 2 0 295.475 2.768 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)C1(Br)CC1 ZINC000924529513 647988027 /nfs/dbraw/zinc/98/80/27/647988027.db2.gz VKTJLKDQLASVJF-LLVKDONJSA-N 2 0 277.250 2.624 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccnnc1 ZINC000924528586 647988335 /nfs/dbraw/zinc/98/83/35/647988335.db2.gz OBFJDRCATIHTTC-UONOGXRCSA-N 2 0 264.417 2.638 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924577369 647998343 /nfs/dbraw/zinc/99/83/43/647998343.db2.gz JFIVACFXRUHNJM-MRXNPFEDSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924577899 647999582 /nfs/dbraw/zinc/99/95/82/647999582.db2.gz JEMUPNOOJDDKRR-SJLPKXTDSA-N 2 0 293.499 2.739 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000924604783 648005712 /nfs/dbraw/zinc/00/57/12/648005712.db2.gz AMGZMWFVJBLDIF-MSOLQXFVSA-N 2 0 290.451 2.899 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924627479 648011512 /nfs/dbraw/zinc/01/15/12/648011512.db2.gz BGOFODNHJPAUOV-IAGOWNOFSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)C2(Cl)CC2)CC1 ZINC000924629590 648012440 /nfs/dbraw/zinc/01/24/40/648012440.db2.gz VHQZTMARKCYZIR-GFCCVEGCSA-N 2 0 258.837 2.856 20 0 CFADRP CCC(CC)[C@H](C[NH2+]C1CCN(OC)CC1)[NH+]1CCCC1 ZINC000924630925 648013804 /nfs/dbraw/zinc/01/38/04/648013804.db2.gz JUKAVQLWUFDRQU-KRWDZBQOSA-N 2 0 297.487 2.502 20 0 CFADRP C([NH2+][C@@H]1CCOC12CCCCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000924651100 648019005 /nfs/dbraw/zinc/01/90/05/648019005.db2.gz UYBAAJRRMIQZNA-GDBMZVCRSA-N 2 0 278.440 2.552 20 0 CFADRP CCON1CCC([NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000924680162 648025636 /nfs/dbraw/zinc/02/56/36/648025636.db2.gz BHHKLASQUUSYKU-UHFFFAOYSA-N 2 0 297.487 2.504 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cn(C)cn1 ZINC000924685452 648026501 /nfs/dbraw/zinc/02/65/01/648026501.db2.gz IWIWWOMCFGTPEZ-LSDHHAIUSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccnnc1 ZINC000924686457 648026997 /nfs/dbraw/zinc/02/69/97/648026997.db2.gz LQNHIWLBJXFXFW-GJZGRUSLSA-N 2 0 276.428 2.782 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000924684058 648027054 /nfs/dbraw/zinc/02/70/54/648027054.db2.gz ISSTZFYTSSFOGW-BPKGMFCQSA-N 2 0 282.472 2.758 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCOC34CCCCC4)CC[N@@H+]2C1 ZINC000924695444 648029002 /nfs/dbraw/zinc/02/90/02/648029002.db2.gz KKAYSOYRZCXUSE-OAGGEKHMSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924712953 648033317 /nfs/dbraw/zinc/03/33/17/648033317.db2.gz CDLDMHZUMZPEAD-PBHICJAKSA-N 2 0 280.456 2.513 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924844947 648058296 /nfs/dbraw/zinc/05/82/96/648058296.db2.gz CKVONDMTBVWGLD-ROUUACIJSA-N 2 0 293.499 2.857 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924851743 648060217 /nfs/dbraw/zinc/06/02/17/648060217.db2.gz CSBJKEIZHIPTEJ-CYBMUJFWSA-N 2 0 267.804 2.654 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000924869720 648063264 /nfs/dbraw/zinc/06/32/64/648063264.db2.gz PCJQNCMGKIXUFW-CZUORRHYSA-N 2 0 294.464 2.585 20 0 CFADRP COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924889626 648067173 /nfs/dbraw/zinc/06/71/73/648067173.db2.gz DNWBBNKIIQZYGX-KGLIPLIRSA-N 2 0 264.413 2.824 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924911141 648071231 /nfs/dbraw/zinc/07/12/31/648071231.db2.gz CFEDKMJHPAVGDA-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3oc(C)nc32)CC1 ZINC000924953522 648077947 /nfs/dbraw/zinc/07/79/47/648077947.db2.gz CRWRTGSXRSYTIM-CQSZACIVSA-N 2 0 277.412 2.682 20 0 CFADRP CC[NH+](CC)C[C@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000924954625 648078977 /nfs/dbraw/zinc/07/89/77/648078977.db2.gz KDYNDTNLYPWXKT-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2nonc2C)c1 ZINC000924962080 648081034 /nfs/dbraw/zinc/08/10/34/648081034.db2.gz ZKFPBWBIPPAGSA-LBPRGKRZSA-N 2 0 288.395 2.681 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)N(C)C1CC1 ZINC000924965790 648082444 /nfs/dbraw/zinc/08/24/44/648082444.db2.gz BFNQFNVNMOUUAZ-HUUCEWRRSA-N 2 0 289.467 2.882 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924966731 648082573 /nfs/dbraw/zinc/08/25/73/648082573.db2.gz UKBJQVJNRBLEED-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCN(C)C1CCCC1 ZINC000924971040 648083040 /nfs/dbraw/zinc/08/30/40/648083040.db2.gz WBEVQNBWJPTAAF-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCSCCCO)c1cccc(C[NH+](C)C)c1 ZINC000924977920 648084501 /nfs/dbraw/zinc/08/45/01/648084501.db2.gz DAKZBPOCBKCLOV-CQSZACIVSA-N 2 0 296.480 2.514 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)C(C)(C)CO ZINC000925050676 648095149 /nfs/dbraw/zinc/09/51/49/648095149.db2.gz UEMDPQVUQHTQTQ-OAHLLOKOSA-N 2 0 270.461 2.639 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(OC)ccn2)CC1 ZINC000925152743 648118530 /nfs/dbraw/zinc/11/85/30/648118530.db2.gz SNUXZDFVDILBLG-CQSZACIVSA-N 2 0 291.439 2.863 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CCCC[C@@H]1O ZINC000925211982 648132373 /nfs/dbraw/zinc/13/23/73/648132373.db2.gz DHBXFKUOFGNWIZ-LTIDMASMSA-N 2 0 280.456 2.534 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000925213870 648133145 /nfs/dbraw/zinc/13/31/45/648133145.db2.gz CIXQANZLPNXYKS-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925307004 648153123 /nfs/dbraw/zinc/15/31/23/648153123.db2.gz JYQZNFZDTLLXSO-STQMWFEESA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C[C@@H](C)O1 ZINC000925439206 648169615 /nfs/dbraw/zinc/16/96/15/648169615.db2.gz JBZLRHZXOUTHIU-SFFUCWETSA-N 2 0 292.467 2.820 20 0 CFADRP CC[C@@H](O)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925458827 648174360 /nfs/dbraw/zinc/17/43/60/648174360.db2.gz HMNOGSLNKJNPIY-RHSMWYFYSA-N 2 0 278.440 2.950 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000925472300 648178002 /nfs/dbraw/zinc/17/80/02/648178002.db2.gz DDAJFBSGOAHVPT-KRWDZBQOSA-N 2 0 289.467 2.759 20 0 CFADRP c1ccc2[nH]c(CCC[NH2+][C@@H]3CC[NH2+]C34CCCC4)nc2c1 ZINC000925479944 648179965 /nfs/dbraw/zinc/17/99/65/648179965.db2.gz IJGKJMGSOVWLCM-MRXNPFEDSA-N 2 0 298.434 2.760 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925482625 648180313 /nfs/dbraw/zinc/18/03/13/648180313.db2.gz WKURWPYNNWITRS-HZPDHXFCSA-N 2 0 274.408 2.833 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCSC(F)(F)F)C1 ZINC000925484248 648181341 /nfs/dbraw/zinc/18/13/41/648181341.db2.gz DAVSWMYXMVCDPO-DTWKUNHWSA-N 2 0 270.364 2.735 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccccn1)c1ccccc1 ZINC000925496037 648182926 /nfs/dbraw/zinc/18/29/26/648182926.db2.gz UFWMDRHLBSVTDG-QGZVFWFLSA-N 2 0 269.392 2.694 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925496691 648183316 /nfs/dbraw/zinc/18/33/16/648183316.db2.gz SGMIOQVTVKXGAV-JZXOWHBKSA-N 2 0 289.467 2.785 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925497683 648184094 /nfs/dbraw/zinc/18/40/94/648184094.db2.gz YITZREQNSVWCKY-OWCLPIDISA-N 2 0 279.472 2.501 20 0 CFADRP CC(C)(C)C[C@@H](O)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925503887 648187584 /nfs/dbraw/zinc/18/75/84/648187584.db2.gz KWEHIGFBNBPKMM-HZPDHXFCSA-N 2 0 278.440 2.853 20 0 CFADRP CC(C)(C)C[C@@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925503882 648188085 /nfs/dbraw/zinc/18/80/85/648188085.db2.gz KWEHIGFBNBPKMM-CVEARBPZSA-N 2 0 278.440 2.853 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2cccs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925507449 648189876 /nfs/dbraw/zinc/18/98/76/648189876.db2.gz BCRCIHMAZDIWLP-FRRDWIJNSA-N 2 0 250.411 2.614 20 0 CFADRP CCCC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925511655 648191410 /nfs/dbraw/zinc/19/14/10/648191410.db2.gz RCVSHYXCLBWDEA-HOCLYGCPSA-N 2 0 281.488 2.747 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2cccs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925509958 648191557 /nfs/dbraw/zinc/19/15/57/648191557.db2.gz QQYGBRPIMDDIHG-RDBSUJKOSA-N 2 0 264.438 2.657 20 0 CFADRP CCC[NH+]1CCC(N[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925511495 648191597 /nfs/dbraw/zinc/19/15/97/648191597.db2.gz NXMAMDZGUOQNNC-YOEHRIQHSA-N 2 0 275.440 2.539 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000925510235 648191667 /nfs/dbraw/zinc/19/16/67/648191667.db2.gz UVJFRFLXIHPUGD-ZIAGYGMSSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)C12CCC2 ZINC000925512521 648192799 /nfs/dbraw/zinc/19/27/99/648192799.db2.gz FHIPMIDISSSSQK-HUUCEWRRSA-N 2 0 274.383 2.717 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C12CCC2 ZINC000925519950 648196076 /nfs/dbraw/zinc/19/60/76/648196076.db2.gz UBHDTYIZMBSONV-KURKYZTESA-N 2 0 299.462 2.683 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925520399 648196595 /nfs/dbraw/zinc/19/65/95/648196595.db2.gz GCWXRMDUGODBJZ-CVEARBPZSA-N 2 0 258.409 2.705 20 0 CFADRP CC(C)CCOCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925522020 648197511 /nfs/dbraw/zinc/19/75/11/648197511.db2.gz PUMYLMDMYCNWFC-KGLIPLIRSA-N 2 0 256.434 2.545 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000925522756 648198635 /nfs/dbraw/zinc/19/86/35/648198635.db2.gz UBWAYYRDWQQTQQ-QGZVFWFLSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925523767 648198801 /nfs/dbraw/zinc/19/88/01/648198801.db2.gz ZMNLVXLGNUKKCK-DLBZAZTESA-N 2 0 282.472 2.807 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCc2ccccc2)C12CCC2 ZINC000925524385 648199865 /nfs/dbraw/zinc/19/98/65/648199865.db2.gz SNLNRAFVJXQLLB-CVEARBPZSA-N 2 0 258.409 2.869 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2cc(F)ccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530827 648202474 /nfs/dbraw/zinc/20/24/74/648202474.db2.gz VPYOALXNNURIJW-KBMXLJTQSA-N 2 0 294.389 2.874 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(F)cc2F)C1 ZINC000925531995 648203874 /nfs/dbraw/zinc/20/38/74/648203874.db2.gz UEHVPXDPHXDXOV-CHWSQXEVSA-N 2 0 298.377 2.839 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C12CCC2 ZINC000925534900 648204581 /nfs/dbraw/zinc/20/45/81/648204581.db2.gz RCQPUSZJPIYGHQ-JKSUJKDBSA-N 2 0 287.382 2.709 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C12CCC2 ZINC000925536988 648205272 /nfs/dbraw/zinc/20/52/72/648205272.db2.gz HJXRGQHVKKQAQL-JKSUJKDBSA-N 2 0 270.420 2.968 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000925538570 648206654 /nfs/dbraw/zinc/20/66/54/648206654.db2.gz VCXIHCKKBRPMRS-DZGCQCFKSA-N 2 0 261.413 2.594 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCCNc1ccccn1)c1ccccc1 ZINC000925537777 648206981 /nfs/dbraw/zinc/20/69/81/648206981.db2.gz MVKAVQGMDMZGRW-QGZVFWFLSA-N 2 0 298.434 2.953 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2SCCc3ccccc32)C12CCC2 ZINC000925540219 648207544 /nfs/dbraw/zinc/20/75/44/648207544.db2.gz BLMPSOJZKZRUSJ-XHSDSOJGSA-N 2 0 288.460 2.877 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccncc1 ZINC000925540397 648207958 /nfs/dbraw/zinc/20/79/58/648207958.db2.gz CHQMOIIAMVCMLY-FHLIZLRMSA-N 2 0 287.451 2.943 20 0 CFADRP CC(C)[C@@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCC(C)CC1 ZINC000925541016 648208226 /nfs/dbraw/zinc/20/82/26/648208226.db2.gz ACNWDFJNEDFIJG-IKGGRYGDSA-N 2 0 293.499 2.602 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2SCCc3ccccc32)C12CCC2 ZINC000925540216 648208324 /nfs/dbraw/zinc/20/83/24/648208324.db2.gz BLMPSOJZKZRUSJ-BZUAXINKSA-N 2 0 288.460 2.877 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCCS1 ZINC000925551526 648212678 /nfs/dbraw/zinc/21/26/78/648212678.db2.gz GQPJUENLYLUMMV-STQMWFEESA-N 2 0 254.443 2.536 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925552103 648213398 /nfs/dbraw/zinc/21/33/98/648213398.db2.gz GXDVHPNPHUJSOP-JKSUJKDBSA-N 2 0 279.472 2.515 20 0 CFADRP C[C@@H]1CCCCN1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925552480 648213735 /nfs/dbraw/zinc/21/37/35/648213735.db2.gz XGAYFQOQVSXQGC-AEFFLSMTSA-N 2 0 289.467 2.931 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925558193 648215735 /nfs/dbraw/zinc/21/57/35/648215735.db2.gz OLCIPMMSKSEIEJ-KBPBESRZSA-N 2 0 262.422 2.768 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cn1 ZINC000925563838 648218511 /nfs/dbraw/zinc/21/85/11/648218511.db2.gz WMMDTKOXYQGVOY-DLBZAZTESA-N 2 0 273.424 2.648 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925570933 648222895 /nfs/dbraw/zinc/22/28/95/648222895.db2.gz ZHGVKMZSEXVBOC-MAUKXSAKSA-N 2 0 289.467 2.757 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925586232 648228594 /nfs/dbraw/zinc/22/85/94/648228594.db2.gz YJRZTPHUIKQJPU-CHWSQXEVSA-N 2 0 280.387 2.830 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925586119 648228684 /nfs/dbraw/zinc/22/86/84/648228684.db2.gz SKSWWTWKBCPPGO-CABCVRRESA-N 2 0 274.408 2.542 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C1 ZINC000925592241 648230382 /nfs/dbraw/zinc/23/03/82/648230382.db2.gz GVPJBENVEFCSMV-VXGBXAGGSA-N 2 0 298.377 2.839 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925592551 648230653 /nfs/dbraw/zinc/23/06/53/648230653.db2.gz WTWXZBQXPJYMLZ-HZPDHXFCSA-N 2 0 288.435 2.832 20 0 CFADRP CC1(C)C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)C[C@@H]([NH3+])C1 ZINC000925596904 648232633 /nfs/dbraw/zinc/23/26/33/648232633.db2.gz UXSYIWIMZYWWJZ-OLZOCXBDSA-N 2 0 285.395 2.585 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)C12CCC2 ZINC000925597126 648232766 /nfs/dbraw/zinc/23/27/66/648232766.db2.gz GOTIVODNNXYWQU-KGLIPLIRSA-N 2 0 282.790 2.881 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000925609224 648238614 /nfs/dbraw/zinc/23/86/14/648238614.db2.gz QXTUOKWYBCSSRC-JMSVASOKSA-N 2 0 274.408 2.875 20 0 CFADRP C[C@@H]1NCCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000925610170 648238627 /nfs/dbraw/zinc/23/86/27/648238627.db2.gz ZEMGHEKSOCEILW-IRXDYDNUSA-N 2 0 281.488 2.763 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1 ZINC000925617911 648241690 /nfs/dbraw/zinc/24/16/90/648241690.db2.gz XRVXJAPGGXJBSZ-XIRDDKMYSA-N 2 0 276.424 2.607 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925619381 648242447 /nfs/dbraw/zinc/24/24/47/648242447.db2.gz MZNAZYOVERSIDU-SIXLDLHFSA-N 2 0 290.451 2.647 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925622072 648243608 /nfs/dbraw/zinc/24/36/08/648243608.db2.gz OJRZXFKXJWZMSE-PMPSAXMXSA-N 2 0 293.499 2.616 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925625633 648246150 /nfs/dbraw/zinc/24/61/50/648246150.db2.gz JAVOJIDXISSNFO-BBWFWOEESA-N 2 0 296.499 2.787 20 0 CFADRP CC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000925629649 648248990 /nfs/dbraw/zinc/24/89/90/648248990.db2.gz LPARQHJEWPVQPE-INIZCTEOSA-N 2 0 270.420 2.666 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)Cc2ccccc2C1 ZINC000925630595 648250412 /nfs/dbraw/zinc/25/04/12/648250412.db2.gz PVEQMNMWXAPTOB-HZPDHXFCSA-N 2 0 270.420 2.651 20 0 CFADRP COCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925631736 648251322 /nfs/dbraw/zinc/25/13/22/648251322.db2.gz JCIBNYVATUWGHY-IHRRRGAJSA-N 2 0 280.412 2.853 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C[C@@H]([NH3+])C1 ZINC000925634052 648252048 /nfs/dbraw/zinc/25/20/48/648252048.db2.gz KSLBPGBUHSEGOB-LYYZXLFJSA-N 2 0 292.467 2.830 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925634112 648252741 /nfs/dbraw/zinc/25/27/41/648252741.db2.gz LLKVZGNWRPNBSP-CZUORRHYSA-N 2 0 261.413 2.609 20 0 CFADRP CSCCCCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925637694 648255329 /nfs/dbraw/zinc/25/53/29/648255329.db2.gz PWQWMVWIVSXRHH-ZDUSSCGKSA-N 2 0 256.459 2.784 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925639091 648255866 /nfs/dbraw/zinc/25/58/66/648255866.db2.gz JTDPPSUSKAPEEB-BBBLOLIVSA-N 2 0 252.324 2.823 20 0 CFADRP C[NH+](C)CC1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925640966 648257445 /nfs/dbraw/zinc/25/74/45/648257445.db2.gz WSABHMJCJPXSOG-GJZGRUSLSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000925641253 648257451 /nfs/dbraw/zinc/25/74/51/648257451.db2.gz LPILINUCJYJAFP-BHYGNILZSA-N 2 0 287.451 2.552 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925641834 648258236 /nfs/dbraw/zinc/25/82/36/648258236.db2.gz PBOIKVINLZNHMP-RIUYPTKQSA-N 2 0 292.467 2.558 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925645716 648259166 /nfs/dbraw/zinc/25/91/66/648259166.db2.gz RVRITUUHVMHQHX-CVEARBPZSA-N 2 0 290.451 2.910 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925654608 648263670 /nfs/dbraw/zinc/26/36/70/648263670.db2.gz GFBQIJFESIHRPA-NDBYEHHHSA-N 2 0 272.383 2.788 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C12CCC2 ZINC000925654053 648264023 /nfs/dbraw/zinc/26/40/23/648264023.db2.gz KUOSXWYLXAFNNF-ZACQAIPSSA-N 2 0 291.483 2.643 20 0 CFADRP CSC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925658815 648266390 /nfs/dbraw/zinc/26/63/90/648266390.db2.gz VNZPBEAIALDXEO-AWEZNQCLSA-N 2 0 264.438 2.952 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925657115 648266635 /nfs/dbraw/zinc/26/66/35/648266635.db2.gz CEFQXMNPKSJFSV-XHSDSOJGSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H]1[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000925668697 648270561 /nfs/dbraw/zinc/27/05/61/648270561.db2.gz JVUKMFGFWVZEPB-BPQIPLTHSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1ccccc1 ZINC000925669046 648271126 /nfs/dbraw/zinc/27/11/26/648271126.db2.gz OCRCHFGKXKYEAP-ARLBYUKCSA-N 2 0 276.424 2.604 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)ccc2[nH]1 ZINC000925670650 648271989 /nfs/dbraw/zinc/27/19/89/648271989.db2.gz MQQIFEOBSWACJK-JKSUJKDBSA-N 2 0 269.392 2.836 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2(c3ccccn3)CCC2)C[C@@H]([NH3+])C1 ZINC000925671862 648273369 /nfs/dbraw/zinc/27/33/69/648273369.db2.gz SDRBDVYCNZANST-CABCVRRESA-N 2 0 287.451 2.999 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925676648 648275458 /nfs/dbraw/zinc/27/54/58/648275458.db2.gz OMFGKADKBTXYKM-NJAFHUGGSA-N 2 0 295.515 2.865 20 0 CFADRP C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC[NH+]1CCCC1 ZINC000925676425 648275584 /nfs/dbraw/zinc/27/55/84/648275584.db2.gz JCJYKIFQLSGZSJ-MRXNPFEDSA-N 3 0 279.472 2.517 20 0 CFADRP CC(F)(F)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925680995 648277350 /nfs/dbraw/zinc/27/73/50/648277350.db2.gz SBVFSYWBWWIZRB-STQMWFEESA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925682885 648278074 /nfs/dbraw/zinc/27/80/74/648278074.db2.gz HDADJVBIKQIPKA-FVCCEPFGSA-N 2 0 272.383 2.788 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccccc1 ZINC000925683390 648278682 /nfs/dbraw/zinc/27/86/82/648278682.db2.gz PSTKSSKLIGXSPV-MRXNPFEDSA-N 2 0 294.414 2.823 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOCC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925684606 648279441 /nfs/dbraw/zinc/27/94/41/648279441.db2.gz IKGKPWUMHVWNDR-OWCLPIDISA-N 2 0 280.456 2.559 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C12CCC2 ZINC000925686844 648280291 /nfs/dbraw/zinc/28/02/91/648280291.db2.gz XBDOBNGQQWGCBK-LUKYLMHMSA-N 2 0 292.467 2.702 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCC1 ZINC000925687955 648280541 /nfs/dbraw/zinc/28/05/41/648280541.db2.gz AQYBCFRBOLBILB-DLBZAZTESA-N 2 0 294.483 2.951 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)ccc12 ZINC000925693988 648283134 /nfs/dbraw/zinc/28/31/34/648283134.db2.gz OCGMDPUQACVITO-MSOLQXFVSA-N 3 0 298.434 2.592 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1(O)CCCC1 ZINC000925695922 648283662 /nfs/dbraw/zinc/28/36/62/648283662.db2.gz YMSDAPUPSCTJEK-UONOGXRCSA-N 2 0 282.472 2.813 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)O1 ZINC000925696884 648283753 /nfs/dbraw/zinc/28/37/53/648283753.db2.gz VAZRPJFKZOPADW-VNQPRFMTSA-N 2 0 262.397 2.624 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925695271 648284197 /nfs/dbraw/zinc/28/41/97/648284197.db2.gz PRTQDILWPAAVNJ-YYIAUSFCSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@H]([NH3+])[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000925700052 648284801 /nfs/dbraw/zinc/28/48/01/648284801.db2.gz NAQGQGIUIOIKKY-ZOCIIQOWSA-N 2 0 295.430 2.552 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2c1CCCN2 ZINC000925699044 648285065 /nfs/dbraw/zinc/28/50/65/648285065.db2.gz ILYOSPQBISSBSN-GYABFAJESA-N 2 0 285.435 2.650 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925697353 648285463 /nfs/dbraw/zinc/28/54/63/648285463.db2.gz FAXNTIGQFMIRTG-PWKIXCGYSA-N 2 0 292.467 2.687 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)(F)F ZINC000925698649 648285515 /nfs/dbraw/zinc/28/55/15/648285515.db2.gz SYSXVXIGSDJBND-WISYIIOYSA-N 2 0 278.362 2.941 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925697354 648285609 /nfs/dbraw/zinc/28/56/09/648285609.db2.gz FAXNTIGQFMIRTG-VWYURUKWSA-N 2 0 292.467 2.687 20 0 CFADRP CSCC1(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925702716 648286143 /nfs/dbraw/zinc/28/61/43/648286143.db2.gz ATQJINVVGISQMY-RDBSUJKOSA-N 2 0 282.497 2.886 20 0 CFADRP C[C@H]1CC[C@@](C)(C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)C1(C)C ZINC000925704429 648287627 /nfs/dbraw/zinc/28/76/27/648287627.db2.gz GZXQJWGSCUAZKV-RYPZSOQESA-N 2 0 294.483 2.791 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)[C@@H]1C1CCC1 ZINC000925707448 648288835 /nfs/dbraw/zinc/28/88/35/648288835.db2.gz PTSKSRQNUUUMKM-VVLHAWIVSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC[N@@H+](C3CCCCC3)C1)[NH2+]2 ZINC000925705801 648288966 /nfs/dbraw/zinc/28/89/66/648288966.db2.gz IHIUMWSNYFLELH-JAPOXJDPSA-N 2 0 291.483 2.512 20 0 CFADRP Cn1ncc(C2CC2)c1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925709051 648290935 /nfs/dbraw/zinc/29/09/35/648290935.db2.gz NWLKPMKVLCTQJH-QGZVFWFLSA-N 2 0 298.434 2.867 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925711595 648291894 /nfs/dbraw/zinc/29/18/94/648291894.db2.gz NEQXUIASZNGJLO-SRMUXQRQSA-N 2 0 256.393 2.574 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925715457 648293716 /nfs/dbraw/zinc/29/37/16/648293716.db2.gz DNBYWUYAAXGKOX-QWHCGFSZSA-N 2 0 280.387 2.830 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccc2c(c1)CCCO2 ZINC000925715781 648294746 /nfs/dbraw/zinc/29/47/46/648294746.db2.gz HQTRTAGSPCVTRQ-JCURWCKSSA-N 2 0 286.419 2.932 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCCC1 ZINC000925716889 648294765 /nfs/dbraw/zinc/29/47/65/648294765.db2.gz RSKZXMCCAAYFAW-FGTMMUONSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc2c(c1)CCCO2 ZINC000925715779 648295014 /nfs/dbraw/zinc/29/50/14/648295014.db2.gz HQTRTAGSPCVTRQ-AFAVFJNCSA-N 2 0 286.419 2.932 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000925715823 648295247 /nfs/dbraw/zinc/29/52/47/648295247.db2.gz HXJXOOADIHANEH-IRXDYDNUSA-N 3 0 293.499 2.604 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@H]1CC1(F)F ZINC000925719647 648297030 /nfs/dbraw/zinc/29/70/30/648297030.db2.gz BFPOCAOYNOQOMY-AFLAQZCCSA-N 2 0 258.356 2.527 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CNc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925725251 648298744 /nfs/dbraw/zinc/29/87/44/648298744.db2.gz IEPOCCIMNZIODK-LFVTVUPYSA-N 2 0 299.462 2.952 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CNc2ccccc21 ZINC000925725294 648298802 /nfs/dbraw/zinc/29/88/02/648298802.db2.gz IUKCINITDMSZLU-PQEJIFLISA-N 2 0 285.435 2.691 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925731092 648300519 /nfs/dbraw/zinc/30/05/19/648300519.db2.gz JOLIVVMEIRDYGY-IUODEOHRSA-N 2 0 291.439 2.705 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000925734291 648301665 /nfs/dbraw/zinc/30/16/65/648301665.db2.gz PZYZKQGISQBTIV-JTQLQIEISA-N 2 0 283.366 2.935 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)sn1 ZINC000925731915 648301789 /nfs/dbraw/zinc/30/17/89/648301789.db2.gz NKIJKPGFRRJEQV-ZBFHGGJFSA-N 2 0 287.432 2.769 20 0 CFADRP CC1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC(F)(F)C1 ZINC000925733046 648301993 /nfs/dbraw/zinc/30/19/93/648301993.db2.gz FMKFQPOBIQQYHJ-MNOVXSKESA-N 2 0 260.372 2.917 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cnccc1N ZINC000925733630 648302227 /nfs/dbraw/zinc/30/22/27/648302227.db2.gz LIODPCOLOBIGAY-SECBINFHSA-N 2 0 255.312 2.580 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)C[C@@H]([NH3+])C1 ZINC000925735095 648303156 /nfs/dbraw/zinc/30/31/56/648303156.db2.gz SNEZLDVFEMSEPD-ZNMIVQPWSA-N 2 0 280.456 2.689 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000925739323 648304835 /nfs/dbraw/zinc/30/48/35/648304835.db2.gz VZODEKXCCKNVAG-QWHCGFSZSA-N 2 0 294.439 2.913 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925740225 648305221 /nfs/dbraw/zinc/30/52/21/648305221.db2.gz GAALUGCSYJZYHY-GFCCVEGCSA-N 2 0 250.386 2.863 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000925740424 648305233 /nfs/dbraw/zinc/30/52/33/648305233.db2.gz HHFFBAKBYACJFD-LBPRGKRZSA-N 2 0 250.386 2.782 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1cc(F)c(F)c(F)c1 ZINC000925741472 648305256 /nfs/dbraw/zinc/30/52/56/648305256.db2.gz RXPAUVIHUDTALF-QMMMGPOBSA-N 2 0 260.303 2.882 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000925758133 648310728 /nfs/dbraw/zinc/31/07/28/648310728.db2.gz BMKFPSIAJGYWKI-CYBMUJFWSA-N 2 0 289.423 2.909 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000925773323 648315700 /nfs/dbraw/zinc/31/57/00/648315700.db2.gz XSOKSWLEKKWYNQ-ISWURRPUSA-N 2 0 276.399 2.990 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC2(CCC2)CO1 ZINC000925772248 648316393 /nfs/dbraw/zinc/31/63/93/648316393.db2.gz HJQIHLDUZYSWMA-YYIAUSFCSA-N 2 0 292.467 2.846 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC2(CCC2)CO1 ZINC000925775099 648317253 /nfs/dbraw/zinc/31/72/53/648317253.db2.gz OBIYBKHSHVGTAG-QAETUUGQSA-N 2 0 292.467 2.846 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000925779403 648320411 /nfs/dbraw/zinc/32/04/11/648320411.db2.gz MYHWROTZFIQVHM-KGLIPLIRSA-N 2 0 268.351 2.972 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780738 648321025 /nfs/dbraw/zinc/32/10/25/648321025.db2.gz VJCKEUPWKNTSAA-IUODEOHRSA-N 2 0 280.362 2.817 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784444 648321914 /nfs/dbraw/zinc/32/19/14/648321914.db2.gz ROCZIBWFNDVRCD-GHMZBOCLSA-N 2 0 280.428 2.741 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000925785914 648323418 /nfs/dbraw/zinc/32/34/18/648323418.db2.gz QIGQJHVCFRFRHV-MXASKKJJSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1nccc2ccccc21 ZINC000925786825 648323596 /nfs/dbraw/zinc/32/35/96/648323596.db2.gz VNZCALZUOSRIBE-NFAWXSAZSA-N 2 0 269.392 2.741 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925793661 648325097 /nfs/dbraw/zinc/32/50/97/648325097.db2.gz ZXDNERXUYNASOG-RDBSUJKOSA-N 2 0 262.397 2.510 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000925792727 648325562 /nfs/dbraw/zinc/32/55/62/648325562.db2.gz VYLJRKOQGSZPQT-IFUGULHKSA-N 2 0 264.800 2.772 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925793456 648325856 /nfs/dbraw/zinc/32/58/56/648325856.db2.gz YZXKOXIMLDPLJH-MCIONIFRSA-N 2 0 292.423 2.518 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000925795798 648326416 /nfs/dbraw/zinc/32/64/16/648326416.db2.gz QHTGFEABEBIURR-DAXOMENPSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000925795677 648326773 /nfs/dbraw/zinc/32/67/73/648326773.db2.gz HYNULBOHDROKGS-UVWXRNBGSA-N 2 0 280.362 2.787 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925800519 648327134 /nfs/dbraw/zinc/32/71/34/648327134.db2.gz SJKUALSYKKBGMB-UMVBOHGHSA-N 2 0 262.397 2.591 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925800479 648327255 /nfs/dbraw/zinc/32/72/55/648327255.db2.gz RYYVYUMWMLPAFP-FRFSOERESA-N 2 0 258.409 2.818 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802761 648328089 /nfs/dbraw/zinc/32/80/89/648328089.db2.gz QNZUAKXKJGBMMZ-ZLENFMNRSA-N 2 0 273.424 2.936 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000925802608 648328121 /nfs/dbraw/zinc/32/81/21/648328121.db2.gz PCZXMWCDEWYETN-HNONPPJISA-N 2 0 272.436 2.971 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925804456 648328280 /nfs/dbraw/zinc/32/82/80/648328280.db2.gz HZTAXMVSBYFQHT-NHOPFSRNSA-N 2 0 262.441 2.789 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cnn1C(C)(C)C ZINC000925803806 648328409 /nfs/dbraw/zinc/32/84/09/648328409.db2.gz VTBRPKPBWFDJNY-UMVBOHGHSA-N 2 0 292.471 2.843 20 0 CFADRP C[C@H]([NH2+]CCC1(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000925804589 648328504 /nfs/dbraw/zinc/32/85/04/648328504.db2.gz JZHZFXJKPSZMCR-LSDHHAIUSA-N 2 0 258.409 2.696 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925806507 648329070 /nfs/dbraw/zinc/32/90/70/648329070.db2.gz FDSKJRHUDZLSKG-GDBMZVCRSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH]c(=O)c2ccccc12 ZINC000925807453 648330046 /nfs/dbraw/zinc/33/00/46/648330046.db2.gz AYCXBZZYLLIQPV-MLGOLLRUSA-N 2 0 285.391 2.548 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925808179 648330247 /nfs/dbraw/zinc/33/02/47/648330247.db2.gz ALBZXROWYRZUPF-KSSFIOAISA-N 2 0 287.451 2.638 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807050 648330290 /nfs/dbraw/zinc/33/02/90/648330290.db2.gz HVEHCXZQGNFKGQ-DOTOQJQBSA-N 3 0 281.488 2.524 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807068 648330318 /nfs/dbraw/zinc/33/03/18/648330318.db2.gz IHNQLMLEROQPJC-HNNXBMFYSA-N 2 0 290.455 2.557 20 0 CFADRP C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CCC1CC[NH2+]CC1 ZINC000925810144 648330989 /nfs/dbraw/zinc/33/09/89/648330989.db2.gz XEVYLXSEAWZDKC-ROUUACIJSA-N 3 0 293.499 2.763 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000925809457 648331328 /nfs/dbraw/zinc/33/13/28/648331328.db2.gz IKPIZOXNGXDQJJ-HNNXBMFYSA-N 2 0 297.446 2.914 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925820466 648333473 /nfs/dbraw/zinc/33/34/73/648333473.db2.gz CSZIEKUDGBUVKR-ZLZJIPBDSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000925826074 648335114 /nfs/dbraw/zinc/33/51/14/648335114.db2.gz JMKROWCDVFTUEF-GDBMZVCRSA-N 2 0 268.445 2.704 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000925831155 648336559 /nfs/dbraw/zinc/33/65/59/648336559.db2.gz SMHNWBYDYALBRJ-KCQAQPDRSA-N 2 0 262.397 2.652 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+]C1CC[NH2+]CC1 ZINC000925835349 648338636 /nfs/dbraw/zinc/33/86/36/648338636.db2.gz SBBROEYRTNFVTR-UHFFFAOYSA-N 2 0 284.403 2.733 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925860742 648347596 /nfs/dbraw/zinc/34/75/96/648347596.db2.gz KLPZSWWZZLIADE-AQFXKWCLSA-N 3 0 291.483 2.658 20 0 CFADRP Cc1cc(F)c(CN[C@H]2CC[NH2+]CC[C@H]2C)c(F)c1 ZINC000925873994 648352069 /nfs/dbraw/zinc/35/20/69/648352069.db2.gz FSKNXFNZFYJZHX-ABAIWWIYSA-N 2 0 268.351 2.751 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925874951 648352419 /nfs/dbraw/zinc/35/24/19/648352419.db2.gz ADPLUUMXEBZDPJ-LXZKKBNFSA-N 2 0 298.434 2.959 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925881612 648354520 /nfs/dbraw/zinc/35/45/20/648354520.db2.gz JWHCTHSZXOIJAB-QMCVQRASSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)C1 ZINC000925882290 648354643 /nfs/dbraw/zinc/35/46/43/648354643.db2.gz KCPFOYHPRXWKRW-RBZYPMLTSA-N 2 0 266.335 2.669 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cn1 ZINC000925886600 648356486 /nfs/dbraw/zinc/35/64/86/648356486.db2.gz ITMDEVIPCNCSQL-QBIMZIAESA-N 2 0 299.393 2.930 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)[NH+]1CCCCC1 ZINC000926140603 648415640 /nfs/dbraw/zinc/41/56/40/648415640.db2.gz CYXMNEDCKRFYLK-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926257383 648449639 /nfs/dbraw/zinc/44/96/39/648449639.db2.gz DLSZCAQQGPCBBP-VBQJREDUSA-N 2 0 276.424 2.560 20 0 CFADRP CC(C)(C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000926273828 648453521 /nfs/dbraw/zinc/45/35/21/648453521.db2.gz BHJHEEZTRVBLHL-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000926287058 648454297 /nfs/dbraw/zinc/45/42/97/648454297.db2.gz MAMJHFSYUPEPAJ-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000926322168 648462264 /nfs/dbraw/zinc/46/22/64/648462264.db2.gz DRNVEUSIQHQWRL-GOEBONIOSA-N 2 0 275.440 2.723 20 0 CFADRP C1CC1[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000926335659 648465799 /nfs/dbraw/zinc/46/57/99/648465799.db2.gz BGUXJHAGHKEEOE-AQEOSJORSA-N 2 0 292.467 2.798 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000926444592 648489655 /nfs/dbraw/zinc/48/96/55/648489655.db2.gz SXDKFHIXMBLDLK-LSDHHAIUSA-N 2 0 263.429 2.723 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C2(Cl)CC2)CC[NH+](C)CC1 ZINC000926449278 648491321 /nfs/dbraw/zinc/49/13/21/648491321.db2.gz SODQLIUHJOWNBW-NSHDSACASA-N 2 0 276.877 2.563 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cccc(C[NH+](C)C)c1 ZINC000926450586 648492020 /nfs/dbraw/zinc/49/20/20/648492020.db2.gz PCOGXOXCAWMPNV-CZUORRHYSA-N 2 0 298.434 2.679 20 0 CFADRP C[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926456564 648495822 /nfs/dbraw/zinc/49/58/22/648495822.db2.gz JLANCAOSSAULLY-KBXCAEBGSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)C[NH+](C)C ZINC000926469130 648499357 /nfs/dbraw/zinc/49/93/57/648499357.db2.gz FIEIUJHRVDCGJZ-BFYDXBDKSA-N 2 0 275.440 2.580 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)O)CC1 ZINC000926511349 648515057 /nfs/dbraw/zinc/51/50/57/648515057.db2.gz DHCFBTYOWHHNMY-CQSZACIVSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926517193 648516389 /nfs/dbraw/zinc/51/63/89/648516389.db2.gz WUBVVDLHPXIHLE-ZIAGYGMSSA-N 2 0 278.440 2.948 20 0 CFADRP CC[C@](C)(C[NH2+]C1CC[NH+](CCC(C)C)CC1)OC ZINC000926520729 648517684 /nfs/dbraw/zinc/51/76/84/648517684.db2.gz QOXHRTYYRGITHY-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cn2c(n1)CCCC2 ZINC000926558381 648533133 /nfs/dbraw/zinc/53/31/33/648533133.db2.gz HIRDCSAGSWUFRE-CQSZACIVSA-N 2 0 290.455 2.744 20 0 CFADRP OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000926568398 648536921 /nfs/dbraw/zinc/53/69/21/648536921.db2.gz XMRKLHZFRIINMX-WBVHZDCISA-N 2 0 287.407 2.755 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OC)n1 ZINC000926572923 648538523 /nfs/dbraw/zinc/53/85/23/648538523.db2.gz IMUZDXYSTBEQNM-LSDHHAIUSA-N 2 0 291.439 2.863 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000926574119 648539501 /nfs/dbraw/zinc/53/95/01/648539501.db2.gz SFTCADRGARRBAN-BRWVUGGUSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1(Br)CC1 ZINC000926606638 648550502 /nfs/dbraw/zinc/55/05/02/648550502.db2.gz OYDAVSWWJHTRPO-UNXYVOJBSA-N 2 0 289.261 2.765 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000926643625 648559435 /nfs/dbraw/zinc/55/94/35/648559435.db2.gz WAXKQHAZJITMRE-ZFWWWQNUSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926645764 648560640 /nfs/dbraw/zinc/56/06/40/648560640.db2.gz RFRZHOLFWGLWJI-QQFBHYJXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1C1CCC1 ZINC000926667363 648567707 /nfs/dbraw/zinc/56/77/07/648567707.db2.gz ZEVISXZGTFAVAB-NFAWXSAZSA-N 2 0 276.428 2.599 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926668181 648568529 /nfs/dbraw/zinc/56/85/29/648568529.db2.gz WHPXNMHCOVLGQP-IRXDYDNUSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@@H]1CC[C@@H](C)C1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000926677006 648571367 /nfs/dbraw/zinc/57/13/67/648571367.db2.gz NFCWOJFRDUAGFW-HUUCEWRRSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926678928 648572390 /nfs/dbraw/zinc/57/23/90/648572390.db2.gz WLNIQLHCCFABDV-CJNGLKHVSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926718797 648589313 /nfs/dbraw/zinc/58/93/13/648589313.db2.gz RHBCQHNODJQEAF-SYJJWHGVSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1(Cl)CC1 ZINC000926738505 648597257 /nfs/dbraw/zinc/59/72/57/648597257.db2.gz MAFNECYHXDUQTL-JSGCOSHPSA-N 2 0 270.848 2.858 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000926752880 648602077 /nfs/dbraw/zinc/60/20/77/648602077.db2.gz DAKZNGDMGHQEIP-YOEHRIQHSA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926776386 648610408 /nfs/dbraw/zinc/61/04/08/648610408.db2.gz LDYJXHIHRMOLHH-FZNQNYSPSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926796817 648619753 /nfs/dbraw/zinc/61/97/53/648619753.db2.gz NDTVZERYRNBJIQ-AURRFLRISA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926813846 648626209 /nfs/dbraw/zinc/62/62/09/648626209.db2.gz VDUIMDRPWUBRBY-KGLIPLIRSA-N 2 0 286.423 2.894 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc2[nH]ccc21 ZINC000926814846 648626900 /nfs/dbraw/zinc/62/69/00/648626900.db2.gz YHJMTNRJGLVQQF-VMZNBEPHSA-N 2 0 269.392 2.598 20 0 CFADRP CC[C@H](C[C@@H](C)O)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926816200 648627029 /nfs/dbraw/zinc/62/70/29/648627029.db2.gz LBQNETTTYJKITI-HUUCEWRRSA-N 2 0 270.461 2.636 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CC(F)F ZINC000926843309 648632560 /nfs/dbraw/zinc/63/25/60/648632560.db2.gz VANUTHSSYKPZIL-QYJAPNMZSA-N 2 0 260.372 2.598 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000926971799 648674279 /nfs/dbraw/zinc/67/42/79/648674279.db2.gz MWLGLDOYIRMLOT-SWLSCSKDSA-N 2 0 287.407 2.751 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cccc3oc(C)nc32)CC1 ZINC000926976592 648675294 /nfs/dbraw/zinc/67/52/94/648675294.db2.gz JGYWTBITKBSESQ-UHFFFAOYSA-N 2 0 287.407 2.753 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)c2nccn21 ZINC000927035523 648688734 /nfs/dbraw/zinc/68/87/34/648688734.db2.gz AWVZAHAOJVXUNF-UJEKJILKSA-N 2 0 288.439 2.886 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036409 648689771 /nfs/dbraw/zinc/68/97/71/648689771.db2.gz BPLAAKIFVRNUDY-XEBKBJJBSA-N 2 0 276.428 2.776 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927037404 648689845 /nfs/dbraw/zinc/68/98/45/648689845.db2.gz JQQHUZWLKAFZQW-NALMEZQBSA-N 3 0 293.499 2.713 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1nccn1C ZINC000927040280 648690409 /nfs/dbraw/zinc/69/04/09/648690409.db2.gz ZWPLHUFNVHEGHD-CKDBGZEDSA-N 2 0 290.455 2.868 20 0 CFADRP C([NH2+]C1CC2(C1)CCCC2)[C@@H]1CCN1C1CCOCC1 ZINC000927101045 648712470 /nfs/dbraw/zinc/71/24/70/648712470.db2.gz CXCKCXOBMNQLJL-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP COc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000929281578 649022825 /nfs/dbraw/zinc/02/28/25/649022825.db2.gz CLWLIVKOGNQISD-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCOC2CC2)C1 ZINC000929644919 649085409 /nfs/dbraw/zinc/08/54/09/649085409.db2.gz XYMUEVGALZRXQX-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP c1cncc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000929719507 649106000 /nfs/dbraw/zinc/10/60/00/649106000.db2.gz OWCLXSYBZRSCAU-SFHVURJKSA-N 2 0 287.451 2.822 20 0 CFADRP C[N@H+](CCOC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753557 649112481 /nfs/dbraw/zinc/11/24/81/649112481.db2.gz BSTHYSGZLKQWCC-QGZVFWFLSA-N 2 0 288.435 2.619 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929763181 649115741 /nfs/dbraw/zinc/11/57/41/649115741.db2.gz LKFAIPVOOMOFBG-LVQVYYBASA-N 2 0 298.421 2.941 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC[C@@H]21 ZINC000929846705 649137681 /nfs/dbraw/zinc/13/76/81/649137681.db2.gz JIOAYDTVCLBXPI-QMIVOQANSA-N 2 0 284.394 2.694 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(C)(F)F)CC[C@@H]21 ZINC000929849321 649138973 /nfs/dbraw/zinc/13/89/73/649138973.db2.gz XFRUSFOEOXBORZ-OLZOCXBDSA-N 2 0 260.372 2.838 20 0 CFADRP CC1CC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000930060454 649175576 /nfs/dbraw/zinc/17/55/76/649175576.db2.gz IQUPANZYBPIGBE-NDTCATRNSA-N 2 0 262.441 2.981 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000930139450 649191986 /nfs/dbraw/zinc/19/19/86/649191986.db2.gz MXFNRLMGSQYZOR-INIZCTEOSA-N 2 0 289.423 2.560 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCC(C)(F)F)C2 ZINC000930602355 649284832 /nfs/dbraw/zinc/28/48/32/649284832.db2.gz QVAKUOATGCLIGW-CQSZACIVSA-N 2 0 260.372 2.840 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4ccc(F)cc43)C[C@@H]2C1 ZINC000931434970 649426907 /nfs/dbraw/zinc/42/69/07/649426907.db2.gz CMLSTZXQLTUZRV-KEYYUXOJSA-N 2 0 274.383 2.697 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931438433 649427788 /nfs/dbraw/zinc/42/77/88/649427788.db2.gz KMQSTORURMAGPX-FXUDXRNXSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441235 649427818 /nfs/dbraw/zinc/42/78/18/649427818.db2.gz DWTJLOZLJJQUKE-FXUDXRNXSA-N 2 0 250.430 2.696 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441457 649427823 /nfs/dbraw/zinc/42/78/23/649427823.db2.gz IZSRJCVIAFTKFX-FRRDWIJNSA-N 2 0 260.372 2.551 20 0 CFADRP Cc1cccc(CCC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000931438362 649428147 /nfs/dbraw/zinc/42/81/47/649428147.db2.gz XCAGYIPIDPXQNY-MSOLQXFVSA-N 2 0 272.436 2.811 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931438435 649428188 /nfs/dbraw/zinc/42/81/88/649428188.db2.gz KMQSTORURMAGPX-XUWVNRHRSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481603 649438835 /nfs/dbraw/zinc/43/88/35/649438835.db2.gz UXNBCLRSLVZTCQ-CYBMUJFWSA-N 2 0 296.842 2.790 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(Cc3ccccc3CF)CC[C@@H]21 ZINC000931546999 649451493 /nfs/dbraw/zinc/45/14/93/649451493.db2.gz OPJZVDVKXUSCGL-HOTGVXAUSA-N 2 0 262.372 2.682 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1cccc2ncccc12 ZINC000931718623 649477962 /nfs/dbraw/zinc/47/79/62/649477962.db2.gz DDEROQJFKVTITK-JKSUJKDBSA-N 2 0 281.403 2.903 20 0 CFADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cc2ccccc2[nH]c1=O ZINC000931726914 649480076 /nfs/dbraw/zinc/48/00/76/649480076.db2.gz NSCHURAIFJRRFD-JKSUJKDBSA-N 2 0 297.402 2.609 20 0 CFADRP CC[C@H](CO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000931771839 649487415 /nfs/dbraw/zinc/48/74/15/649487415.db2.gz GVUSIJLEWOXNLM-QGZVFWFLSA-N 2 0 276.424 2.533 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932197231 649562548 /nfs/dbraw/zinc/56/25/48/649562548.db2.gz DTBXBWDLQYYEIN-LSDHHAIUSA-N 2 0 293.480 2.882 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932625880 649631030 /nfs/dbraw/zinc/63/10/30/649631030.db2.gz CKQFNYIFZPTUPW-AWEZNQCLSA-N 2 0 254.393 2.685 20 0 CFADRP CC(C)C[C@H]1C[N@H+](C)CCN1CCC[NH+]1CCCCC1 ZINC000933251993 649682852 /nfs/dbraw/zinc/68/28/52/649682852.db2.gz NWRFCKDXGKCHGD-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCCC3CCCC3)C[C@]2(C)C1 ZINC000933740172 649718606 /nfs/dbraw/zinc/71/86/06/649718606.db2.gz QKKVEANVSKMFBT-CVEARBPZSA-N 2 0 250.430 2.840 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934336045 649776001 /nfs/dbraw/zinc/77/60/01/649776001.db2.gz XFQRPLXYICXGFV-HUUCEWRRSA-N 2 0 293.480 2.882 20 0 CFADRP CC(C)(C)SCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253618408 651067364 /nfs/dbraw/zinc/06/73/64/651067364.db2.gz VKHNKDAADXXMJE-STQMWFEESA-N 2 0 256.459 2.735 20 0 CFADRP Cc1[nH+]c(N2CCC(C[NH+](C)C)CC2)cc2[nH]ccc21 ZINC001165045665 721948149 /nfs/dbraw/zinc/94/81/49/721948149.db2.gz USXUSPRPYZKNSN-UHFFFAOYSA-N 2 0 272.396 2.649 20 0 CFADRP COc1cc[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165045852 721965310 /nfs/dbraw/zinc/96/53/10/721965310.db2.gz CFVPADRESRTDNR-HNNXBMFYSA-N 2 0 289.423 2.935 20 0 CFADRP Nc1cccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165048318 721967832 /nfs/dbraw/zinc/96/78/32/721967832.db2.gz NUGYWLSSRRTOFR-CQSZACIVSA-N 2 0 274.412 2.509 20 0 CFADRP C[N@H+](CCCNC(=O)CC[NH2+]C(C)(C)C)C1CCCCC1 ZINC000037901345 770071585 /nfs/dbraw/zinc/07/15/85/770071585.db2.gz ZASVARJIQRVJGZ-UHFFFAOYSA-N 2 0 297.487 2.535 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1CC[NH3+] ZINC000723900686 770709440 /nfs/dbraw/zinc/70/94/40/770709440.db2.gz LMLDYENTXAQKCE-DGCLKSJQSA-N 2 0 297.240 2.866 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001235947974 778621523 /nfs/dbraw/zinc/62/15/23/778621523.db2.gz IUMSPKXNXXHJAA-TXEJJXNPSA-N 2 0 264.438 2.872 20 0 CFADRP CC[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001235780542 778558836 /nfs/dbraw/zinc/55/88/36/778558836.db2.gz WSSAASNGYHOUER-QGZVFWFLSA-N 2 0 299.462 2.872 20 0 CFADRP C[NH+]1CCC(C)(C[N@H+](C2CCC2)C2CCOCC2)CC1 ZINC001208116246 769853141 /nfs/dbraw/zinc/85/31/41/769853141.db2.gz SIHMGOICFFERPM-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+]1CCC(C)(C[N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001208109596 769854105 /nfs/dbraw/zinc/85/41/05/769854105.db2.gz PZOALPGCZCOIPK-UHFFFAOYSA-N 2 0 276.399 2.916 20 0 CFADRP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCCC1 ZINC001208186136 769895643 /nfs/dbraw/zinc/89/56/43/769895643.db2.gz NBPZCSGXGDZDMZ-IHRRRGAJSA-N 2 0 254.393 2.541 20 0 CFADRP CCN(CC[NH+]1CCCC1)CC1(C[NH+](C)C)CCCC1 ZINC001208192239 769896166 /nfs/dbraw/zinc/89/61/66/769896166.db2.gz REWNQBQITVROIA-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP Cc1cc(OC(C)C)ncc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812556 770023542 /nfs/dbraw/zinc/02/35/42/770023542.db2.gz ZPHHBVVKCXGLQH-CABCVRRESA-N 2 0 291.439 2.736 20 0 CFADRP C[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC001210476959 770293751 /nfs/dbraw/zinc/29/37/51/770293751.db2.gz ZPKODVKIPYPBEN-NSHDSACASA-N 2 0 288.313 2.769 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723616182 770618163 /nfs/dbraw/zinc/61/81/63/770618163.db2.gz UPYVVCPFCPOJIG-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723621903 770621500 /nfs/dbraw/zinc/62/15/00/770621500.db2.gz UNGOJMGZBLAKRI-HLLBOEOZSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723632301 770627958 /nfs/dbraw/zinc/62/79/58/770627958.db2.gz BEQSXYPTVNNMDH-QKPAOTATSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000689836055 770630498 /nfs/dbraw/zinc/63/04/98/770630498.db2.gz LQGVSCFUZJPXBL-CHWSQXEVSA-N 2 0 268.445 2.700 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000723696543 770651524 /nfs/dbraw/zinc/65/15/24/770651524.db2.gz WZNOHKWNZDNRTB-AWEZNQCLSA-N 2 0 262.397 2.646 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000723696509 770651856 /nfs/dbraw/zinc/65/18/56/770651856.db2.gz WETGSMXKYLBPOU-CQSZACIVSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@H]1CC[NH3+] ZINC000723890094 770706826 /nfs/dbraw/zinc/70/68/26/770706826.db2.gz FHHPUTJCEGEBKW-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000723886257 770706908 /nfs/dbraw/zinc/70/69/08/770706908.db2.gz IUEPZIYGKNWYOH-ZIAGYGMSSA-N 2 0 280.387 2.511 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Br)c2)C[C@H]1CC[NH3+] ZINC000723901499 770709625 /nfs/dbraw/zinc/70/96/25/770709625.db2.gz PTIPXBUICGEFDU-DGCLKSJQSA-N 2 0 297.240 2.866 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)C[C@H]1CC[NH3+] ZINC000723901168 770709694 /nfs/dbraw/zinc/70/96/94/770709694.db2.gz OHJAXEREXHFGGA-VXGBXAGGSA-N 2 0 275.421 2.713 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1CC[NH3+] ZINC000723905874 770710455 /nfs/dbraw/zinc/71/04/55/770710455.db2.gz POOWPDBGUWXYNY-CHWSQXEVSA-N 2 0 258.365 2.850 20 0 CFADRP C[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1CC[NH3+] ZINC000723908920 770711708 /nfs/dbraw/zinc/71/17/08/770711708.db2.gz VBGGZMLRRRLPJO-NVXWUHKLSA-N 2 0 276.424 2.510 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723920936 770713838 /nfs/dbraw/zinc/71/38/38/770713838.db2.gz BIDSIWMWPFLYHO-IJLUTSLNSA-N 2 0 268.351 2.943 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCCOC1 ZINC000723958152 770721986 /nfs/dbraw/zinc/72/19/86/770721986.db2.gz ZNWGFGGHQXJKKR-NKKGCODLSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CC1)C1CCCC1)C1CC[NH2+]CC1 ZINC000723963543 770722741 /nfs/dbraw/zinc/72/27/41/770722741.db2.gz HTQIWDOSXCYTHB-BLLLJJGKSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000723977459 770730973 /nfs/dbraw/zinc/73/09/73/770730973.db2.gz BHBSCBASXFFWAV-XKQJLSEDSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723978370 770732029 /nfs/dbraw/zinc/73/20/29/770732029.db2.gz PIKWNXGXCHQGNH-ZGRYLRDCSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCCOC1 ZINC000724012125 770749777 /nfs/dbraw/zinc/74/97/77/770749777.db2.gz GKJNIQICJHMFIA-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H]1CCCOC1 ZINC000724012128 770749806 /nfs/dbraw/zinc/74/98/06/770749806.db2.gz GKJNIQICJHMFIA-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000690734770 770848547 /nfs/dbraw/zinc/84/85/47/770848547.db2.gz FMJRIAZGRJPJAS-VIFPVBQESA-N 2 0 289.242 2.681 20 0 CFADRP c1ccc2c(c1)NC[C@H]1C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001224118376 775104926 /nfs/dbraw/zinc/10/49/26/775104926.db2.gz IOVJPSMYLHNPTB-ZOBUZTSGSA-N 2 0 285.435 2.517 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721549336 775151537 /nfs/dbraw/zinc/15/15/37/775151537.db2.gz JUFHITAXNZSIQX-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC(CO[C@H]2CCN3Cc4ccccc4[NH+]=C23)CC1 ZINC001224456451 775191072 /nfs/dbraw/zinc/19/10/72/775191072.db2.gz ZLKROPKAIOCZCR-KRWDZBQOSA-N 2 0 299.418 2.663 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405311555 775200977 /nfs/dbraw/zinc/20/09/77/775200977.db2.gz PCEAYGAVAUSXED-WXHSDQCUSA-N 2 0 250.411 2.539 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)s1 ZINC000693899723 775232672 /nfs/dbraw/zinc/23/26/72/775232672.db2.gz XBNBBZAQLWVACU-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CO[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001224701542 775251895 /nfs/dbraw/zinc/25/18/95/775251895.db2.gz HIFNDQIAAYLTEQ-ZWKOTPCHSA-N 2 0 288.435 2.762 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](OCCC[NH+]3CCCC3)C2)cc1 ZINC001224748146 775265043 /nfs/dbraw/zinc/26/50/43/775265043.db2.gz JJAKCGBBXCBXKC-SFHVURJKSA-N 2 0 288.435 2.763 20 0 CFADRP CSCc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000725113037 775274806 /nfs/dbraw/zinc/27/48/06/775274806.db2.gz MAACQSONOJZEGY-HNNXBMFYSA-N 2 0 264.438 2.733 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721585332 775280397 /nfs/dbraw/zinc/28/03/97/775280397.db2.gz GXEOISVHONRWLW-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)[C@H]1CC[C@H](OCCC[NH+]2CCCCC2)CC1 ZINC001224858777 775291486 /nfs/dbraw/zinc/29/14/86/775291486.db2.gz FVLZPVANYHCZGJ-WKILWMFISA-N 2 0 268.445 2.752 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721607117 775427312 /nfs/dbraw/zinc/42/73/12/775427312.db2.gz UCAANTXQLSFZLO-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1(Cl)CC1 ZINC000695638135 775899851 /nfs/dbraw/zinc/89/98/51/775899851.db2.gz MQYPUNAHWYGNOF-ZDUSSCGKSA-N 2 0 258.837 2.858 20 0 CFADRP C[NH+](C)CC[C@H](Oc1cc[nH+]c(N)c1)c1cccs1 ZINC001226654642 775904801 /nfs/dbraw/zinc/90/48/01/775904801.db2.gz AWHYPSJVHLFGCW-LBPRGKRZSA-N 2 0 277.393 2.797 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000695697245 775944226 /nfs/dbraw/zinc/94/42/26/775944226.db2.gz AIPLKEVSKGIYKT-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)s1 ZINC000123958472 776147395 /nfs/dbraw/zinc/14/73/95/776147395.db2.gz OTBCNXGQFMWODC-UHFFFAOYSA-N 2 0 272.417 2.992 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c2ccccc2n1 ZINC000125527915 776336006 /nfs/dbraw/zinc/33/60/06/776336006.db2.gz HTKKULNUJWTZAT-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP CCC[NH+]1C[C@@H]2C[NH+](CCc3cccc(C)c3)C[C@H]2C1 ZINC001207536046 776354961 /nfs/dbraw/zinc/35/49/61/776354961.db2.gz BWXZAJNTBULTIJ-QZTJIDSGSA-N 2 0 272.436 2.811 20 0 CFADRP CCCCc1ccc(CN2CCC[NH2+]CC2)s1 ZINC001204660712 776483361 /nfs/dbraw/zinc/48/33/61/776483361.db2.gz KPMSMXGKPNQCGC-UHFFFAOYSA-N 2 0 252.427 2.886 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000453059124 776543806 /nfs/dbraw/zinc/54/38/06/776543806.db2.gz ASQSJXJRTKPUKX-DLBZAZTESA-N 2 0 288.435 2.795 20 0 CFADRP CCCCN1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167824740 776544336 /nfs/dbraw/zinc/54/43/36/776544336.db2.gz GEAOBJFHTNESQO-KRWDZBQOSA-N 2 0 283.504 2.915 20 0 CFADRP CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167825469 776546237 /nfs/dbraw/zinc/54/62/37/776546237.db2.gz JKVQAKTZCMJDFJ-HZPDHXFCSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CCCO)C(C)C ZINC001167826532 776547713 /nfs/dbraw/zinc/54/77/13/776547713.db2.gz PSAHPGCAEQTSJY-OAHLLOKOSA-N 2 0 258.450 2.590 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCN(C(C)(C)C)CC1 ZINC001167826950 776549479 /nfs/dbraw/zinc/54/94/79/776549479.db2.gz SHYLXVTUJPLECQ-INIZCTEOSA-N 2 0 283.504 2.913 20 0 CFADRP CCCN1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167827555 776550919 /nfs/dbraw/zinc/55/09/19/776550919.db2.gz XKBAJIWVKFATAT-INIZCTEOSA-N 2 0 269.477 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001167827456 776550796 /nfs/dbraw/zinc/55/07/96/776550796.db2.gz WMSDTTZHFZNZQX-XHSDSOJGSA-N 2 0 298.471 2.770 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC001167833325 776568658 /nfs/dbraw/zinc/56/86/58/776568658.db2.gz AEIIUGYHWFDGFW-RDJZCZTQSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001167833960 776572251 /nfs/dbraw/zinc/57/22/51/776572251.db2.gz GOFCOBJXYGNAKE-LVQVYYBASA-N 2 0 296.455 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001167836638 776584733 /nfs/dbraw/zinc/58/47/33/776584733.db2.gz GLIVXPJGWVBRHG-TUVASFSCSA-N 2 0 256.409 2.644 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(O)(CC)CC1 ZINC001167836631 776585151 /nfs/dbraw/zinc/58/51/51/776585151.db2.gz GDQRUWLJZKZLHN-OAHLLOKOSA-N 2 0 270.461 2.734 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001167838019 776588874 /nfs/dbraw/zinc/58/88/74/776588874.db2.gz OXYIKXQYGAGUGH-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1ccon1 ZINC001167837894 776589189 /nfs/dbraw/zinc/58/91/89/776589189.db2.gz NIEIJBOFPMBUDE-CYBMUJFWSA-N 2 0 253.390 2.617 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCOC[C@H]1C1CC1 ZINC001167841420 776606452 /nfs/dbraw/zinc/60/64/52/776606452.db2.gz MSVHFGZLRRMGFA-ZBFHGGJFSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000222910296 776606620 /nfs/dbraw/zinc/60/66/20/776606620.db2.gz LLKIZBALSZMOJI-OLZOCXBDSA-N 2 0 252.377 2.687 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001167841843 776608068 /nfs/dbraw/zinc/60/80/68/776608068.db2.gz SHRLDIYUDGLYIT-BBWFWOEESA-N 2 0 281.488 2.665 20 0 CFADRP C[N@@H+]1CCc2cc(OC3C[NH+](C(C)(C)C)C3)ccc2C1 ZINC001228936831 776663045 /nfs/dbraw/zinc/66/30/45/776663045.db2.gz NXQHOBFHYLDDDO-UHFFFAOYSA-N 2 0 274.408 2.536 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(F)c(C(F)(F)F)c1 ZINC001167877711 776712250 /nfs/dbraw/zinc/71/22/50/776712250.db2.gz BCZQTVAMSPKZTB-UHFFFAOYSA-N 2 0 292.280 2.520 20 0 CFADRP Cc1ccc2ccc(NC(=[NH2+])NCCCC[NH3+])cc2c1 ZINC001167881542 776714904 /nfs/dbraw/zinc/71/49/04/776714904.db2.gz IMEKOZOOBKOVSC-UHFFFAOYSA-N 2 0 270.380 2.823 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1cncc(Oc2ccccc2)c1 ZINC001167881103 776715062 /nfs/dbraw/zinc/71/50/62/776715062.db2.gz DJJUWDQKLIGEPI-UHFFFAOYSA-N 2 0 299.378 2.549 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1cc2c(Cl)cccc2cn1 ZINC001167881907 776715335 /nfs/dbraw/zinc/71/53/35/776715335.db2.gz LRWZQDLMQYERNZ-UHFFFAOYSA-N 2 0 291.786 2.563 20 0 CFADRP CC[N@@H+]1CC[C@@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC001229625970 776858985 /nfs/dbraw/zinc/85/89/85/776858985.db2.gz JLQNNJZICXMUOL-XJKSGUPXSA-N 2 0 262.397 2.782 20 0 CFADRP C[NH+](C)CCc1ccc(OC2CC[NH+](C3CC3)CC2)cc1 ZINC001229656897 776866699 /nfs/dbraw/zinc/86/66/99/776866699.db2.gz BXAAEEWLNMGDSN-UHFFFAOYSA-N 2 0 288.435 2.796 20 0 CFADRP CC(C)(C)C[NH+]1CCC([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167917550 776897964 /nfs/dbraw/zinc/89/79/64/776897964.db2.gz NBBXZIAHURYUOD-NHAGDIPZSA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167919147 776919104 /nfs/dbraw/zinc/91/91/04/776919104.db2.gz UCXLMWNWDXNIGN-NWUZLNDISA-N 2 0 285.435 2.952 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CCO1 ZINC000721545693 777001020 /nfs/dbraw/zinc/00/10/20/777001020.db2.gz YMBNNPVTIHEFGN-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP COc1c(F)cc(F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001143557458 777102211 /nfs/dbraw/zinc/10/22/11/777102211.db2.gz HUWZQILUPBQXAJ-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP c1ccc([C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000710794328 777113021 /nfs/dbraw/zinc/11/30/21/777113021.db2.gz RGSVHVYDEOIOGS-PMRDEQMMSA-N 2 0 256.393 2.759 20 0 CFADRP Cc1c(F)ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1F ZINC001231479805 777233785 /nfs/dbraw/zinc/23/37/85/777233785.db2.gz PCKAVTAZMKFLND-UHFFFAOYSA-N 2 0 280.362 2.801 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167961714 777324144 /nfs/dbraw/zinc/32/41/44/777324144.db2.gz NTSQJWSGJRSWTE-FVPDABNVSA-N 2 0 266.404 2.872 20 0 CFADRP CC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccncc1 ZINC001232012098 777410646 /nfs/dbraw/zinc/41/06/46/777410646.db2.gz SFRXKTYOEJSURS-UHFFFAOYSA-N 2 0 266.348 2.980 20 0 CFADRP CCN(CC[NH+](CC)CC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014637 777412967 /nfs/dbraw/zinc/41/29/67/777412967.db2.gz UCMRCFWHNMUJMW-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP c1c(C[NH+]2CCC3(CCOCC3)CC2)[nH]c2cc[nH+]cc12 ZINC001232016020 777413844 /nfs/dbraw/zinc/41/38/44/777413844.db2.gz QXUHGSIKVHUZMG-UHFFFAOYSA-N 2 0 285.391 2.956 20 0 CFADRP O[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167977874 777446418 /nfs/dbraw/zinc/44/64/18/777446418.db2.gz HLENBWGCFCQBSK-AJYUKVHDSA-N 2 0 292.467 2.533 20 0 CFADRP Cc1ccc(C[NH+]2CCCCC2)cc1NCC[NH+](C)C ZINC001161672949 777502015 /nfs/dbraw/zinc/50/20/15/777502015.db2.gz PVTWSTMDFJEEHN-UHFFFAOYSA-N 2 0 275.440 2.954 20 0 CFADRP FC(F)C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277645604 777513605 /nfs/dbraw/zinc/51/36/05/777513605.db2.gz UANYEGJZJTZLMY-UHFFFAOYSA-N 2 0 258.356 2.592 20 0 CFADRP Cc1nc(N)ccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232344661 777529711 /nfs/dbraw/zinc/52/97/11/777529711.db2.gz PWXOVKSSLKFMGH-UHFFFAOYSA-N 2 0 290.455 2.524 20 0 CFADRP C[C@@H]1CC([NH2+]CCCCO)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168004936 777573910 /nfs/dbraw/zinc/57/39/10/777573910.db2.gz CFMQTPWAAIPYBL-HZPDHXFCSA-N 2 0 290.451 2.790 20 0 CFADRP C[C@@H]1CC(n2nccc2C[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005402 777577142 /nfs/dbraw/zinc/57/71/42/777577142.db2.gz IMAQFUYYHUPDJP-HUUCEWRRSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@@H]1C[C@@H](n2nccc2C[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005403 777577246 /nfs/dbraw/zinc/57/72/46/777577246.db2.gz IMAQFUYYHUPDJP-JLVBRIDZSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006924 777583775 /nfs/dbraw/zinc/58/37/75/777583775.db2.gz PPERTPQXSVVHDZ-UWJARMKNSA-N 2 0 288.435 2.541 20 0 CFADRP [NH3+]CC[C@@H]1C[N@H+](CCC23CC4CC(CC(C4)C2)C3)CCO1 ZINC001204756284 777586529 /nfs/dbraw/zinc/58/65/29/777586529.db2.gz MQRTWSFFJKXFLN-AWDGRILASA-N 2 0 292.467 2.643 20 0 CFADRP C[C@@H]1CC(n2ccc(C[NH3+])n2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007925 777588086 /nfs/dbraw/zinc/58/80/86/777588086.db2.gz BSMAYCYXJYZQGR-HUUCEWRRSA-N 2 0 298.434 2.956 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)ccc1N)CC2 ZINC001232510820 777589818 /nfs/dbraw/zinc/58/98/18/777589818.db2.gz GZNJLTWNYXHINV-UHFFFAOYSA-N 2 0 291.414 2.716 20 0 CFADRP C[C@@H]1CC(NC(C)(C)C[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168010780 777608568 /nfs/dbraw/zinc/60/85/68/777608568.db2.gz KYSPKPFCKYHGAY-HUUCEWRRSA-N 2 0 289.467 2.755 20 0 CFADRP C[C@H](CCO)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012222 777625646 /nfs/dbraw/zinc/62/56/46/777625646.db2.gz YDVXBQHAXGYBDE-PMPSAXMXSA-N 2 0 290.451 2.789 20 0 CFADRP FC(F)(F)CCC[N@@H+]1C[C@@H]2CCN(c3cc[nH+]cc3)[C@@H]2C1 ZINC001277694730 777630070 /nfs/dbraw/zinc/63/00/70/777630070.db2.gz UMOCTEWLSCPXPY-GXTWGEPZSA-N 2 0 299.340 2.935 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](CCC[NH3+])C2CCCCC2)CCO1 ZINC001168073509 777937574 /nfs/dbraw/zinc/93/75/74/777937574.db2.gz CRPVZZDZBMJJIZ-UKRRQHHQSA-N 2 0 254.418 2.537 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CCO1 ZINC001168083897 777980663 /nfs/dbraw/zinc/98/06/63/777980663.db2.gz NSHSEMXTIUGXQZ-IXYNUQLISA-N 2 0 268.445 2.687 20 0 CFADRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168093182 778025435 /nfs/dbraw/zinc/02/54/35/778025435.db2.gz UPVPDOHXAJOKNW-UIDBIOKJSA-N 2 0 268.445 2.797 20 0 CFADRP CCC(CC)[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168093109 778026172 /nfs/dbraw/zinc/02/61/72/778026172.db2.gz LTEFCVVWZMHNFO-ZFWWWQNUSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@H](C)C1 ZINC001168094579 778031623 /nfs/dbraw/zinc/03/16/23/778031623.db2.gz WARZKTMSZSNIET-KBUPBQIOSA-N 2 0 254.418 2.534 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CC=CCC3)CC2)CCO1 ZINC001168100420 778040509 /nfs/dbraw/zinc/04/05/09/778040509.db2.gz CEXBZYMNTPQWGC-SOLBZPMBSA-N 2 0 292.467 2.964 20 0 CFADRP CC[C@@H](C)[N@@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001277806260 778070005 /nfs/dbraw/zinc/07/00/05/778070005.db2.gz BZVJOUDDYFLHDM-WBVHZDCISA-N 2 0 290.455 2.886 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC001168143684 778154712 /nfs/dbraw/zinc/15/47/12/778154712.db2.gz QMHQHGHSDHAOBG-RHSMWYFYSA-N 2 0 285.391 2.872 20 0 CFADRP CC1(Nc2ccc(F)c(C[NH+]3CCCC3)c2)CC[NH2+]CC1 ZINC001168189465 778233124 /nfs/dbraw/zinc/23/31/24/778233124.db2.gz SBDHPJNDBNSOOF-UHFFFAOYSA-N 2 0 291.414 2.976 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000721251819 778291806 /nfs/dbraw/zinc/29/18/06/778291806.db2.gz CPSYYAAGAABDOF-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc(CCCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234977858 778344417 /nfs/dbraw/zinc/34/44/17/778344417.db2.gz CIHRTRPJYKRRHW-CALCHBBNSA-N 2 0 258.409 2.551 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)sc1C ZINC001235001006 778350633 /nfs/dbraw/zinc/35/06/33/778350633.db2.gz QXXZDQXHGCPRJA-HNNXBMFYSA-N 2 0 264.438 2.940 20 0 CFADRP C(CC1CCCC1)C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235009392 778352659 /nfs/dbraw/zinc/35/26/59/778352659.db2.gz ZOYKCTNKBDPWLS-QGZVFWFLSA-N 2 0 280.456 2.659 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1C ZINC001235031965 778360673 /nfs/dbraw/zinc/36/06/73/778360673.db2.gz IGLNGCCKHXQYAR-SFHVURJKSA-N 2 0 288.435 2.806 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C1(C)C ZINC001235036262 778361668 /nfs/dbraw/zinc/36/16/68/778361668.db2.gz KETHUOTZHDUNRZ-BRWVUGGUSA-N 2 0 292.467 2.679 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)c1)NCC2 ZINC001235037240 778361691 /nfs/dbraw/zinc/36/16/91/778361691.db2.gz FNLXPEAXWPMLNK-SFHVURJKSA-N 2 0 285.435 2.763 20 0 CFADRP C[C@@H](CC[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)CC(C)(C)C ZINC001235035672 778362048 /nfs/dbraw/zinc/36/20/48/778362048.db2.gz GXPPXJWIBJIYRL-ARFHVFGLSA-N 2 0 282.472 2.759 20 0 CFADRP CCCC[C@@H](CC)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235039346 778363600 /nfs/dbraw/zinc/36/36/00/778363600.db2.gz YCIKDIPXJADISC-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CCOc1ccc(C)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092296 778376801 /nfs/dbraw/zinc/37/68/01/778376801.db2.gz HIKLVUWHRKKZMT-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCc1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235141282 778395937 /nfs/dbraw/zinc/39/59/37/778395937.db2.gz QOYBWTHLUAVMDR-UHFFFAOYSA-N 2 0 258.409 2.967 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235151009 778397835 /nfs/dbraw/zinc/39/78/35/778397835.db2.gz CJKYQKAJCJWVAG-GOSISDBHSA-N 2 0 288.435 2.920 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnccc2Cl)CC1 ZINC001168290409 778409847 /nfs/dbraw/zinc/40/98/47/778409847.db2.gz KIOQWRAPZYXZLM-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc(Cl)ccn2)CC1 ZINC001168290804 778411921 /nfs/dbraw/zinc/41/19/21/778411921.db2.gz ZKDIVBBWRHGUSC-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(c3ccncc3)CC2)CC1 ZINC001168297777 778412760 /nfs/dbraw/zinc/41/27/60/778412760.db2.gz KSFZJCZFCWSHEH-UHFFFAOYSA-N 2 0 259.397 2.533 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2ccc(F)cc2F)CC1 ZINC001168297709 778412787 /nfs/dbraw/zinc/41/27/87/778412787.db2.gz GLVUHKWEQVRPKH-UHFFFAOYSA-N 2 0 296.361 2.610 20 0 CFADRP CN(C)[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168298041 778413283 /nfs/dbraw/zinc/41/32/83/778413283.db2.gz YUGOLPBALSXDBQ-ABHNRTSZSA-N 2 0 289.467 2.752 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C(C)(C)c2ccccn2)CC1 ZINC001168303995 778417508 /nfs/dbraw/zinc/41/75/08/778417508.db2.gz IXJKYEPIYCHBGF-UHFFFAOYSA-N 2 0 261.413 2.779 20 0 CFADRP C[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)CC(C)(C)CC[NH3+] ZINC001168303760 778417651 /nfs/dbraw/zinc/41/76/51/778417651.db2.gz BWNAIZBKWZFCKQ-FHERZECASA-N 3 0 283.504 2.850 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2(Cc3cccnc3)CC2)CC1 ZINC001168305382 778419081 /nfs/dbraw/zinc/41/90/81/778419081.db2.gz JHBLDNLRZDEXGS-UHFFFAOYSA-N 2 0 287.451 2.867 20 0 CFADRP CCC(CC)N1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168305859 778420048 /nfs/dbraw/zinc/42/00/48/778420048.db2.gz RVNGBCHJDMZZSQ-CKDBGZEDSA-N 2 0 281.488 2.712 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC001235223385 778420858 /nfs/dbraw/zinc/42/08/58/778420858.db2.gz DPGSZDYZURNSSI-GOEBONIOSA-N 2 0 256.393 2.912 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@@H]3C1)CC[NH2+]C2 ZINC001235223913 778421079 /nfs/dbraw/zinc/42/10/79/778421079.db2.gz GJWASBHBHXESEF-MAUKXSAKSA-N 2 0 270.420 2.954 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)nc1 ZINC001235227285 778422200 /nfs/dbraw/zinc/42/22/00/778422200.db2.gz HDKMJYVCZIBBCH-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP c1[nH]nc2cccc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c12 ZINC001235226308 778422217 /nfs/dbraw/zinc/42/22/17/778422217.db2.gz BVFNDMFSEGLLGW-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP c1c2cccnc2[nH]c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230268 778423044 /nfs/dbraw/zinc/42/30/44/778423044.db2.gz UUGQIKWVWNYSTN-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235229072 778423072 /nfs/dbraw/zinc/42/30/72/778423072.db2.gz NVJMPQQWEYKCMJ-HNNXBMFYSA-N 2 0 277.387 2.575 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001168313614 778424208 /nfs/dbraw/zinc/42/42/08/778424208.db2.gz FEBPUCNSXDWMAJ-CLRIEMFWSA-N 2 0 260.372 2.631 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001168313616 778424373 /nfs/dbraw/zinc/42/43/73/778424373.db2.gz FEBPUCNSXDWMAJ-HOAMVYINSA-N 2 0 260.372 2.631 20 0 CFADRP CC(C)c1nc(CC[N@H+](C)C2CCC([NH+](C)C)CC2)no1 ZINC001168313590 778424394 /nfs/dbraw/zinc/42/43/94/778424394.db2.gz DTJACETUEGPDOU-UHFFFAOYSA-N 2 0 294.443 2.540 20 0 CFADRP C[NH+](C)C1CCC([N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001168315686 778426676 /nfs/dbraw/zinc/42/66/76/778426676.db2.gz ZUTLOKIHJYRDAY-GNNGFNCTSA-N 2 0 298.430 2.771 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)c1 ZINC001235240127 778428319 /nfs/dbraw/zinc/42/83/19/778428319.db2.gz NBJDEDVOPMSBMH-NVXWUHKLSA-N 2 0 258.409 2.925 20 0 CFADRP COC[C@@]12CCC[C@@H]1C[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168321575 778430219 /nfs/dbraw/zinc/43/02/19/778430219.db2.gz ICJYKWDYFXHOSP-VXLLPVPCSA-N 2 0 280.456 2.608 20 0 CFADRP COc1cccc2c1C[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168328134 778434383 /nfs/dbraw/zinc/43/43/83/778434383.db2.gz WVYRQXGHPSTWNF-UHFFFAOYSA-N 2 0 274.408 2.884 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C2CCC2)C2CCOCC2)CC1 ZINC001168329949 778435874 /nfs/dbraw/zinc/43/58/74/778435874.db2.gz LLYKPYMJXVDWJV-UHFFFAOYSA-N 2 0 280.456 2.893 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(COc4ccccc4)cc3)C[C@@H]12 ZINC001235284620 778442593 /nfs/dbraw/zinc/44/25/93/778442593.db2.gz OODQKLHGCHTCOU-REPLKXPHSA-N 2 0 294.398 2.655 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccccc3CCc3ccccc3)C[C@@H]12 ZINC001235285523 778443729 /nfs/dbraw/zinc/44/37/29/778443729.db2.gz SSPRNXADTFKWGP-ACDBMABISA-N 2 0 292.426 2.861 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1)CC(C)(C)C ZINC001235336794 778458991 /nfs/dbraw/zinc/45/89/91/778458991.db2.gz BBDGILUPGQZWBM-ZIAGYGMSSA-N 2 0 252.446 2.990 20 0 CFADRP CCn1ccc2c1cccc2CN(C)[C@@H]1CCC[NH2+]C1 ZINC001235342041 778460397 /nfs/dbraw/zinc/46/03/97/778460397.db2.gz GSUHHKISKIBBKV-OAHLLOKOSA-N 2 0 271.408 2.845 20 0 CFADRP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349555 778464892 /nfs/dbraw/zinc/46/48/92/778464892.db2.gz QPKKIKDHPFNVHJ-DZOHQFGASA-N 2 0 270.420 2.722 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400009 778475523 /nfs/dbraw/zinc/47/55/23/778475523.db2.gz BODJQNNKODERDX-SJORKVTESA-N 2 0 276.399 2.561 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F)c1ccccc1 ZINC001235400368 778475764 /nfs/dbraw/zinc/47/57/64/778475764.db2.gz CLQPDCYHMPBHPA-PVAVHDDUSA-N 2 0 276.399 2.814 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400006 778475938 /nfs/dbraw/zinc/47/59/38/778475938.db2.gz BODJQNNKODERDX-DLBZAZTESA-N 2 0 276.399 2.561 20 0 CFADRP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](CCC1CCCC1)C2 ZINC001235409038 778479847 /nfs/dbraw/zinc/47/98/47/778479847.db2.gz VRKFYKWRYLNSEI-LSDHHAIUSA-N 2 0 254.393 2.590 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](CCC1CCCC1)C2 ZINC001235409035 778479958 /nfs/dbraw/zinc/47/99/58/778479958.db2.gz VRKFYKWRYLNSEI-HUUCEWRRSA-N 2 0 254.393 2.590 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CCN2 ZINC001235430179 778486792 /nfs/dbraw/zinc/48/67/92/778486792.db2.gz GNGXNHLFTJVOBR-ROUUACIJSA-N 2 0 299.462 2.866 20 0 CFADRP CCCCC1CC[NH+](CC2(F)CC[NH2+]CC2)CC1 ZINC001235432593 778487818 /nfs/dbraw/zinc/48/78/18/778487818.db2.gz MPOOHSSHLHMKID-UHFFFAOYSA-N 2 0 256.409 2.980 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])c(C)cc1Br ZINC001235435249 778489817 /nfs/dbraw/zinc/48/98/17/778489817.db2.gz FHOHMZKCMFHCAD-UHFFFAOYSA-N 2 0 285.229 2.847 20 0 CFADRP Cc1ccc2c(c1)C1(CC2)CC[NH+](CCC2C[NH2+]C2)CC1 ZINC001235609320 778521669 /nfs/dbraw/zinc/52/16/69/778521669.db2.gz VSPPVVVKFMMRII-UHFFFAOYSA-N 2 0 284.447 2.884 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697911239 778522648 /nfs/dbraw/zinc/52/26/48/778522648.db2.gz YMMKCYXXVDCLHS-UONOGXRCSA-N 2 0 264.413 2.556 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2c(C)cc(F)cc2C)CC1 ZINC001235678003 778533850 /nfs/dbraw/zinc/53/38/50/778533850.db2.gz BUANAZKEMABYAY-UHFFFAOYSA-N 2 0 264.388 2.874 20 0 CFADRP c1cc(CN2CCCC[C@H]2C[NH+]2CCCC2)cc2c1C[NH2+]C2 ZINC001235679932 778534533 /nfs/dbraw/zinc/53/45/33/778534533.db2.gz SJIGUZCQVOUGLY-IBGZPJMESA-N 2 0 299.462 2.740 20 0 CFADRP CC[C@@H]([NH3+])CN1CCC(c2ccccc2F)CC1 ZINC001235681411 778535234 /nfs/dbraw/zinc/53/52/34/778535234.db2.gz ZIFDASQPJYRATE-CYBMUJFWSA-N 2 0 250.361 2.742 20 0 CFADRP CC1(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]CC1 ZINC001235693710 778539062 /nfs/dbraw/zinc/53/90/62/778539062.db2.gz ZYDXGUNZTOFOOK-KRWDZBQOSA-N 2 0 288.435 2.920 20 0 CFADRP Cc1ccccc1O[C@@H]1CCC[N@H+](CCCC[NH3+])C1 ZINC001235693596 778539696 /nfs/dbraw/zinc/53/96/96/778539696.db2.gz XVHBRCOLPBIPAZ-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP c1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc2c1CCN2 ZINC001235703585 778541928 /nfs/dbraw/zinc/54/19/28/778541928.db2.gz ZKAHUMYALSZRRI-UHFFFAOYSA-N 2 0 299.462 2.866 20 0 CFADRP COc1ccccc1CCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235715144 778545532 /nfs/dbraw/zinc/54/55/32/778545532.db2.gz PPJSJSSNUZSZGJ-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP COCCCN(Cc1cc(C)cs1)[C@H]1CCC[NH2+]C1 ZINC001235805280 778563191 /nfs/dbraw/zinc/56/31/91/778563191.db2.gz CTHPVDBSVKMEKY-AWEZNQCLSA-N 2 0 282.453 2.647 20 0 CFADRP COc1ccccc1CC[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001235840893 778575993 /nfs/dbraw/zinc/57/59/93/778575993.db2.gz CMTCHZZZMCIYPV-INIZCTEOSA-N 2 0 276.424 2.702 20 0 CFADRP C[N@H+](CCCCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235841742 778576851 /nfs/dbraw/zinc/57/68/51/778576851.db2.gz INKHMDJBQCLCOG-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP Cc1nc2cc(CN(C)CCC[NH+](C)C)ccc2s1 ZINC001235852016 778579757 /nfs/dbraw/zinc/57/97/57/778579757.db2.gz JXNPASAZTRGQKB-UHFFFAOYSA-N 2 0 277.437 2.988 20 0 CFADRP Fc1ccccc1CC1CC[NH+](CCC2C[NH2+]C2)CC1 ZINC001235865537 778584085 /nfs/dbraw/zinc/58/40/85/778584085.db2.gz CTSQZSFVYQBSOA-UHFFFAOYSA-N 2 0 276.399 2.690 20 0 CFADRP FC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC001235868907 778585762 /nfs/dbraw/zinc/58/57/62/778585762.db2.gz WPTSNKWPIHSRRL-KBPBESRZSA-N 2 0 254.393 2.733 20 0 CFADRP COC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCCCC2)[C@H]1C ZINC001235892476 778593971 /nfs/dbraw/zinc/59/39/71/778593971.db2.gz RKIVMMBQJZIMCH-GOEBONIOSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1cc(F)cc(C)c1CN1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235893365 778594135 /nfs/dbraw/zinc/59/41/35/778594135.db2.gz RWMIUYQHXUWAJJ-JSGCOSHPSA-N 2 0 250.361 2.754 20 0 CFADRP c1ccc2c(c1)cccc2C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235929381 778613725 /nfs/dbraw/zinc/61/37/25/778613725.db2.gz NNNQVEGLKFTLLJ-RDJZCZTQSA-N 2 0 266.388 2.881 20 0 CFADRP Cc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235934591 778615308 /nfs/dbraw/zinc/61/53/08/778615308.db2.gz BVBCQFOYLLNMQF-OCCSQVGLSA-N 2 0 264.800 2.690 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1CC ZINC001235936295 778616640 /nfs/dbraw/zinc/61/66/40/778616640.db2.gz GJUIBZWVNPMDNJ-SJORKVTESA-N 2 0 288.435 2.689 20 0 CFADRP c1ccn(-c2ccccc2C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235934694 778616680 /nfs/dbraw/zinc/61/66/80/778616680.db2.gz CSQOEWZRIOGBJA-NVXWUHKLSA-N 2 0 281.403 2.519 20 0 CFADRP COCCC[N@H+](Cc1ccc(C)cc1C)C1CC[NH2+]CC1 ZINC001235937078 778618341 /nfs/dbraw/zinc/61/83/41/778618341.db2.gz KAPRDILJVAXKGG-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP Cc1c(Cl)ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1C ZINC001235942813 778619384 /nfs/dbraw/zinc/61/93/84/778619384.db2.gz YEABFIDBASKETC-CABCVRRESA-N 2 0 278.827 2.998 20 0 CFADRP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc(C)c1F ZINC001235956981 778626718 /nfs/dbraw/zinc/62/67/18/778626718.db2.gz JANCKVDIMULYQK-CQSZACIVSA-N 2 0 264.388 2.874 20 0 CFADRP CC(C)c1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959165 778628073 /nfs/dbraw/zinc/62/80/73/778628073.db2.gz FWXHOBKEPPFJGD-SCAQPMJSSA-N 2 0 258.409 2.979 20 0 CFADRP CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc(CC)c1O ZINC001235958706 778628494 /nfs/dbraw/zinc/62/84/94/778628494.db2.gz BXNJZHPMBUVQPH-BJWYYQGGSA-N 2 0 288.435 2.686 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001235972129 778634317 /nfs/dbraw/zinc/63/43/17/778634317.db2.gz JBTWQJKIQWAPJG-AWEZNQCLSA-N 2 0 296.418 2.520 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974617 778635326 /nfs/dbraw/zinc/63/53/26/778635326.db2.gz PUQIVTOSAGHHGP-GDBMZVCRSA-N 2 0 270.420 2.779 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236004798 778650912 /nfs/dbraw/zinc/65/09/12/778650912.db2.gz FUUXPRYEZALXAI-PNDFQMOFSA-N 2 0 294.442 2.672 20 0 CFADRP CCC[C@H](C)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236004848 778650958 /nfs/dbraw/zinc/65/09/58/778650958.db2.gz HSLRLXAZKBJHER-JQHSSLGASA-N 2 0 272.436 2.896 20 0 CFADRP CCOc1ccc(C)c(CN(CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236011364 778654165 /nfs/dbraw/zinc/65/41/65/778654165.db2.gz XUZALXALBAKSAO-INIZCTEOSA-N 2 0 276.424 2.968 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001236067604 778679396 /nfs/dbraw/zinc/67/93/96/778679396.db2.gz QMINUSCBWXJCRW-CQSZACIVSA-N 2 0 258.409 2.607 20 0 CFADRP C(C1CC1)[NH+]1CCC([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001168371779 778686558 /nfs/dbraw/zinc/68/65/58/778686558.db2.gz IKIHZTOHQKHJCI-IYBDPMFKSA-N 2 0 262.441 2.983 20 0 CFADRP CC[C@H]([NH3+])CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001236089700 778686627 /nfs/dbraw/zinc/68/66/27/778686627.db2.gz WTIFQILXARAWPJ-IBGZPJMESA-N 2 0 297.446 2.695 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001236091911 778688003 /nfs/dbraw/zinc/68/80/03/778688003.db2.gz AFYATOYPHOWTOO-UHFFFAOYSA-N 2 0 264.388 2.819 20 0 CFADRP C[C@@H](O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348316479 778688464 /nfs/dbraw/zinc/68/84/64/778688464.db2.gz IOJHBEFBMNFUOE-IZVVFDKHSA-N 2 0 288.435 2.541 20 0 CFADRP [NH3+]CCCC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001236096412 778690948 /nfs/dbraw/zinc/69/09/48/778690948.db2.gz YEXQHLQCXAKZMW-UHFFFAOYSA-N 2 0 274.408 2.585 20 0 CFADRP CC(C)[N@H+](C)[C@H]1CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001236208827 778736882 /nfs/dbraw/zinc/73/68/82/778736882.db2.gz JANXVKSGPQJDAM-KRWDZBQOSA-N 2 0 281.488 2.713 20 0 CFADRP C[NH2+]C1CCC([N@H+](C)Cc2cccc3c2NCC3)CC1 ZINC001236215875 778740593 /nfs/dbraw/zinc/74/05/93/778740593.db2.gz SANCFEPZOCLABR-UHFFFAOYSA-N 2 0 273.424 2.617 20 0 CFADRP Fc1ccc(S[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236222873 778744952 /nfs/dbraw/zinc/74/49/52/778744952.db2.gz NATFCQSYYWTWKR-CJNGLKHVSA-N 2 0 294.439 2.992 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224652 778745440 /nfs/dbraw/zinc/74/54/40/778745440.db2.gz WDIOGVWFFPDMCZ-KOMQPUFPSA-N 3 0 267.461 2.501 20 0 CFADRP COC[C@@]12CCC[C@@H]1C[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168378104 778745750 /nfs/dbraw/zinc/74/57/50/778745750.db2.gz PBXDEBYPLBVBNS-AEFFLSMTSA-N 2 0 292.467 2.609 20 0 CFADRP C[N@H+](Cc1ccc([Si](C)(C)C)cc1)C1(C)CC[NH2+]CC1 ZINC001236225714 778745925 /nfs/dbraw/zinc/74/59/25/778745925.db2.gz DEKWMKHLTJAPFE-UHFFFAOYSA-N 2 0 290.527 2.806 20 0 CFADRP [NH3+]C1CCC(N(Cc2ccccc2)C[C@H]2CCC[NH2+]2)CC1 ZINC001236227573 778746140 /nfs/dbraw/zinc/74/61/40/778746140.db2.gz HPVFJKOHDAXITC-LXPRWKDFSA-N 2 0 287.451 2.511 20 0 CFADRP CC[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387601 778767665 /nfs/dbraw/zinc/76/76/65/778767665.db2.gz MCTVAHMCGQGOBI-AWEZNQCLSA-N 2 0 250.430 2.983 20 0 CFADRP C(OC[C@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001168387634 778767676 /nfs/dbraw/zinc/76/76/76/778767676.db2.gz MWJJXDDFQLKYCE-KRWDZBQOSA-N 2 0 292.467 2.609 20 0 CFADRP CC(C)CC[NH+](CCC(C)C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236307958 778769949 /nfs/dbraw/zinc/76/99/49/778769949.db2.gz QGPMAIODVGSRSN-ZSHCYNCHSA-N 2 0 252.446 2.846 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236314397 778773914 /nfs/dbraw/zinc/77/39/14/778773914.db2.gz CSIGGYFRGQQRTJ-BETUJISGSA-N 2 0 280.362 2.705 20 0 CFADRP c1ccc(CCCC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314670 778774297 /nfs/dbraw/zinc/77/42/97/778774297.db2.gz RRTKBWVMFYTHFL-HDICACEKSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C ZINC001236317216 778775766 /nfs/dbraw/zinc/77/57/66/778775766.db2.gz UTMWFDRLLAJFTD-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP c1cc2cnccc2c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321092 778778040 /nfs/dbraw/zinc/77/80/40/778778040.db2.gz VLSZDFFZAWAGPQ-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374368 778796450 /nfs/dbraw/zinc/79/64/50/778796450.db2.gz PWHMSKJUZCSCLL-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400374 778800077 /nfs/dbraw/zinc/80/00/77/778800077.db2.gz NHGXKVYDUOBLFX-DYVFJYSZSA-N 2 0 276.399 2.614 20 0 CFADRP [NH3+]CCCCCN(Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236395489 778802350 /nfs/dbraw/zinc/80/23/50/778802350.db2.gz SUGBYCCCMKDKIY-QGZVFWFLSA-N 2 0 293.430 2.509 20 0 CFADRP CC[N@H+](CCc1ccc(F)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236407926 778804694 /nfs/dbraw/zinc/80/46/94/778804694.db2.gz IWUZAMMOWKEJNA-LBPRGKRZSA-N 2 0 284.806 2.953 20 0 CFADRP CCOc1ccc(C)cc1CN(CC)C[C@@H]1CC[NH2+]C1 ZINC001236409792 778804973 /nfs/dbraw/zinc/80/49/73/778804973.db2.gz WPSVYGAXSKWSTN-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)N(CCC[NH2+]C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236468837 778837694 /nfs/dbraw/zinc/83/76/94/778837694.db2.gz NEUTWNPSGMBHTH-QGZVFWFLSA-N 2 0 281.488 2.761 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168405035 778848058 /nfs/dbraw/zinc/84/80/58/778848058.db2.gz PAGIHSDSMISLNA-ZJPYXAASSA-N 2 0 288.410 2.898 20 0 CFADRP Nc1ccc(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236539338 778870636 /nfs/dbraw/zinc/87/06/36/778870636.db2.gz AZTCGSRMOATSKC-WKILWMFISA-N 2 0 288.439 2.536 20 0 CFADRP CC(C)C[N@H+](Cc1ccccc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554865 778875780 /nfs/dbraw/zinc/87/57/80/778875780.db2.gz ZCOUXDOCCOZMOF-WKILWMFISA-N 2 0 275.440 2.997 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCCCN2)C2CCCC2)CC1 ZINC001236566425 778877663 /nfs/dbraw/zinc/87/76/63/778877663.db2.gz HEHQZZGYINTHPW-ZOBUZTSGSA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC2(F)CC[NH2+]CC2)C2CCCC2)CC1 ZINC001236566444 778878156 /nfs/dbraw/zinc/87/81/56/778878156.db2.gz HUEJEUPJBGMGTC-KOMQPUFPSA-N 3 0 297.462 2.593 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3c(c2)C[NH2+]C3)C2CCC2)CC1 ZINC001236572978 778879740 /nfs/dbraw/zinc/87/97/40/778879740.db2.gz RSCHVBJFSIXTCP-UAPYVXQJSA-N 3 0 299.462 2.914 20 0 CFADRP COc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1C ZINC001236598681 778889970 /nfs/dbraw/zinc/88/99/70/778889970.db2.gz NBRWEJQTNLSHHQ-MRXNPFEDSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1ccc2c(c1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC001236606873 778893376 /nfs/dbraw/zinc/89/33/76/778893376.db2.gz XGIAFAANBBYCDH-UHFFFAOYSA-N 2 0 258.409 2.743 20 0 CFADRP CC[C@H]([NH3+])C[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714924 778920899 /nfs/dbraw/zinc/92/08/99/778920899.db2.gz PMTUGHMFBJRNRC-BZSNNMDCSA-N 3 0 289.467 2.804 20 0 CFADRP Cc1cccc(C[N@H+](CCCCO)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725727 778921786 /nfs/dbraw/zinc/92/17/86/778921786.db2.gz DFKSLXNSFQUWIX-IYARVYRRSA-N 2 0 290.451 2.839 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc3ccoc31)CC2 ZINC001236735920 778924450 /nfs/dbraw/zinc/92/44/50/778924450.db2.gz PSEXVZVQZWOIMK-UHFFFAOYSA-N 2 0 270.376 2.960 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000690738594 778925021 /nfs/dbraw/zinc/92/50/21/778925021.db2.gz IBBPWXDASNZFDB-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168416249 778928271 /nfs/dbraw/zinc/92/82/71/778928271.db2.gz VSIPOLAGJSAXAG-AWEZNQCLSA-N 2 0 264.388 2.789 20 0 CFADRP CC(C)(C)C[N@H+](CC1(C)CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768078 778930706 /nfs/dbraw/zinc/93/07/06/778930706.db2.gz MIPVLKIFHKMAQJ-WKILWMFISA-N 3 0 295.515 2.994 20 0 CFADRP CCOc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC001236826393 778955249 /nfs/dbraw/zinc/95/52/49/778955249.db2.gz CNJNJLROHDWULZ-PEYYIBSZSA-N 2 0 294.826 2.908 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236827872 778956384 /nfs/dbraw/zinc/95/63/84/778956384.db2.gz HEKZVKUNKORNAP-BMGDILEWSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@@H+](Cc1cc(F)ccc1C)C[C@H]1CC[NH2+]C1 ZINC001236836892 778961057 /nfs/dbraw/zinc/96/10/57/778961057.db2.gz ZBDGCSPPTCANMR-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)c2)CC1 ZINC001236888012 778973341 /nfs/dbraw/zinc/97/33/41/778973341.db2.gz SVRAGEMEDNMTRB-HDICACEKSA-N 2 0 299.462 2.670 20 0 CFADRP C[NH+](C)CCN(CC1(C)CCCCC1)C1CC[NH2+]CC1 ZINC001236912277 778981784 /nfs/dbraw/zinc/98/17/84/778981784.db2.gz NRWMSQSBIPFKRT-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H]1C[C@@H]1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947292 778983663 /nfs/dbraw/zinc/98/36/63/778983663.db2.gz JEUIJTXTHVWJQJ-XJKSGUPXSA-N 2 0 250.430 2.744 20 0 CFADRP Oc1cccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1 ZINC001236946650 778983738 /nfs/dbraw/zinc/98/37/38/778983738.db2.gz DCXKAQVMQSJYMT-UHFFFAOYSA-N 2 0 288.435 2.994 20 0 CFADRP Nc1ccccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961797 778985294 /nfs/dbraw/zinc/98/52/94/778985294.db2.gz HCPSRFYDQYPQQM-UHFFFAOYSA-N 2 0 287.451 2.871 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CC2(CN(CCC[NH+](C)C)C2)C1 ZINC001278049739 779006294 /nfs/dbraw/zinc/00/62/94/779006294.db2.gz PMUSWMOEPJIIDZ-KRWDZBQOSA-N 2 0 295.515 2.772 20 0 CFADRP Cc1cc(N2CC[NH+](CC3OC=CC3=S)CC2)cc[nH+]1 ZINC001237186559 779042473 /nfs/dbraw/zinc/04/24/73/779042473.db2.gz MCFPLASZKOKBNX-UHFFFAOYSA-N 2 0 289.404 2.594 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001237187473 779043021 /nfs/dbraw/zinc/04/30/21/779043021.db2.gz HMEJZIMINKUEBA-KRWDZBQOSA-N 2 0 276.399 2.844 20 0 CFADRP Clc1ccc2c(c1)[C@@H]1C[N@@H+](CCC3C[NH2+]C3)CC[C@@H]1N2 ZINC001237232143 779056702 /nfs/dbraw/zinc/05/67/02/779056702.db2.gz IHKWUJZJYMZGAE-HOCLYGCPSA-N 2 0 291.826 2.533 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccncc1C(F)(F)F)CC2 ZINC001237295247 779071050 /nfs/dbraw/zinc/07/10/50/779071050.db2.gz PWDNVFYFGTVMCQ-UHFFFAOYSA-N 2 0 299.340 2.628 20 0 CFADRP [NH3+]CCCCC[NH+]1CCC2(Cc3ccccc3N2)CC1 ZINC001237332553 779079008 /nfs/dbraw/zinc/07/90/08/779079008.db2.gz FBLPBIVDJNDCRL-UHFFFAOYSA-N 2 0 273.424 2.618 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)OCc1ccccc1 ZINC001237384734 779089026 /nfs/dbraw/zinc/08/90/26/779089026.db2.gz XTSKWIGMFRYZCC-SZMVWBNQSA-N 2 0 288.435 2.666 20 0 CFADRP Fc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237384411 779089552 /nfs/dbraw/zinc/08/95/52/779089552.db2.gz WKQMULAKXRNRMX-RDJZCZTQSA-N 2 0 276.399 2.832 20 0 CFADRP c1cc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2[nH]1 ZINC001237403528 779097817 /nfs/dbraw/zinc/09/78/17/779097817.db2.gz LAGWXLOHPLZDGV-GOEBONIOSA-N 2 0 269.392 2.742 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237404640 779099137 /nfs/dbraw/zinc/09/91/37/779099137.db2.gz OGKICICLIGIVDT-IAGOWNOFSA-N 2 0 258.409 2.823 20 0 CFADRP CC[N@H+]1C[C@H]2CN(Cc3ccc(F)c4cccnc34)C[C@H]2C1 ZINC001237430720 779107082 /nfs/dbraw/zinc/10/70/82/779107082.db2.gz YRKGIMRWAQHITG-GASCZTMLSA-N 2 0 299.393 2.757 20 0 CFADRP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205093842 779163512 /nfs/dbraw/zinc/16/35/12/779163512.db2.gz GKLWKZBZVOWVFU-GXTWGEPZSA-N 2 0 250.386 2.895 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168448375 779171580 /nfs/dbraw/zinc/17/15/80/779171580.db2.gz LDFKGHUQIISOAF-JZXOWHBKSA-N 2 0 288.410 2.567 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)ccc4C3)C[C@H]2C1 ZINC001168448373 779171792 /nfs/dbraw/zinc/17/17/92/779171792.db2.gz LDFKGHUQIISOAF-JFIYKMOQSA-N 2 0 288.410 2.567 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](CCCc2ccc(F)cc2)CC1 ZINC001205095494 779177697 /nfs/dbraw/zinc/17/76/97/779177697.db2.gz YFPCMEDKIYWHGF-OAHLLOKOSA-N 2 0 250.361 2.572 20 0 CFADRP CC[NH+]1CCN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237881019 779199346 /nfs/dbraw/zinc/19/93/46/779199346.db2.gz NEDJMWPFKLGNOJ-UHFFFAOYSA-N 2 0 299.462 2.825 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000699289409 779237025 /nfs/dbraw/zinc/23/70/25/779237025.db2.gz AMEQRYNRRVNYIM-BTFYYFJDSA-N 2 0 278.440 2.551 20 0 CFADRP CCOc1cc(CN2CCC([NH+](C)C)CC2)ccc1C ZINC001238066876 779244028 /nfs/dbraw/zinc/24/40/28/779244028.db2.gz BBNJVFIHNGLFAC-UHFFFAOYSA-N 2 0 276.424 2.920 20 0 CFADRP C[C@@H](C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1)CC(F)(F)F ZINC001278183996 779245257 /nfs/dbraw/zinc/24/52/57/779245257.db2.gz KGDDREGUXHFRFQ-UPJWGTAASA-N 2 0 278.362 2.849 20 0 CFADRP CCOc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)ccc1C ZINC001238073260 779246555 /nfs/dbraw/zinc/24/65/55/779246555.db2.gz DNDYUVHJJJNGGK-UHFFFAOYSA-N 2 0 288.435 2.921 20 0 CFADRP COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3cncn31)C2 ZINC001238105990 779254532 /nfs/dbraw/zinc/25/45/32/779254532.db2.gz WQLKOXWLGCTVIZ-PBHICJAKSA-N 2 0 285.391 2.583 20 0 CFADRP c1[nH+]cn2c1cccc2C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001238107891 779254813 /nfs/dbraw/zinc/25/48/13/779254813.db2.gz SJLJMGCRRURLQM-KBPBESRZSA-N 2 0 255.365 2.956 20 0 CFADRP CCCCC[NH+]1CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238114433 779255677 /nfs/dbraw/zinc/25/56/77/779255677.db2.gz URLUEUMNFZZUEA-UHFFFAOYSA-N 2 0 286.423 2.642 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2cc3cccnc3s2)CC1 ZINC001205116546 779257502 /nfs/dbraw/zinc/25/75/02/779257502.db2.gz CBUGIXSAWAPMNF-LBPRGKRZSA-N 2 0 261.394 2.610 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001205116596 779257882 /nfs/dbraw/zinc/25/78/82/779257882.db2.gz DKIXGNITRGSADK-ZDUSSCGKSA-N 2 0 273.355 2.687 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117520 779260583 /nfs/dbraw/zinc/26/05/83/779260583.db2.gz QAAXCFLXNMTGOI-ZDUSSCGKSA-N 2 0 250.411 2.722 20 0 CFADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCOCC[NH3+] ZINC000699445949 779264348 /nfs/dbraw/zinc/26/43/48/779264348.db2.gz WCCDRSARYCJCED-NSHDSACASA-N 2 0 290.329 2.674 20 0 CFADRP Cc1ncncc1CN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001238175454 779269895 /nfs/dbraw/zinc/26/98/95/779269895.db2.gz LGVVXALNIJVXSN-IRXDYDNUSA-N 2 0 288.439 2.624 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000699719487 779344660 /nfs/dbraw/zinc/34/46/60/779344660.db2.gz IYUALFQGXFUUKZ-WDEREUQCSA-N 2 0 260.372 2.917 20 0 CFADRP CCc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)on1 ZINC001203227431 779356919 /nfs/dbraw/zinc/35/69/19/779356919.db2.gz DGICNJXPPKXQJY-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(F)c3)C[C@H]2C1 ZINC001168502105 779373684 /nfs/dbraw/zinc/37/36/84/779373684.db2.gz SLAAEKORFLJVKL-NUEKZKHPSA-N 2 0 276.399 2.640 20 0 CFADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)CC(C)(C)C ZINC001235929820 779409288 /nfs/dbraw/zinc/40/92/88/779409288.db2.gz UTBNLLGAADFIFO-QLFBSQMISA-N 2 0 252.446 2.990 20 0 CFADRP CC[N@@H+]1CCc2cc(C3=CCC[NH2+]CC3)ccc2C1 ZINC001238938843 779421153 /nfs/dbraw/zinc/42/11/53/779421153.db2.gz BIUIJKNZUJDTID-UHFFFAOYSA-N 2 0 256.393 2.831 20 0 CFADRP c1cc(C2=CCC[NH2+]CC2)ccc1OCC[NH+]1CCCC1 ZINC001238946487 779423320 /nfs/dbraw/zinc/42/33/20/779423320.db2.gz IETMQVCLXLLHEZ-UHFFFAOYSA-N 2 0 286.419 2.928 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(COc2ccc(F)cc2)CC1 ZINC001236044007 779447975 /nfs/dbraw/zinc/44/79/75/779447975.db2.gz IHEIUVCDHSWTCJ-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc3c[nH+]cn3c2)cn1 ZINC001239209644 779473463 /nfs/dbraw/zinc/47/34/63/779473463.db2.gz WUQSWIRDPXXYGO-UHFFFAOYSA-N 2 0 283.379 2.540 20 0 CFADRP [NH3+]Cc1cncc(-c2cccc(C[NH+]3CCCC3)c2F)c1 ZINC001239809037 779791222 /nfs/dbraw/zinc/79/12/22/779791222.db2.gz NFCOEPAZIAUTCK-UHFFFAOYSA-N 2 0 285.366 2.942 20 0 CFADRP Cc1ccc(-c2cncc(C[NH3+])c2)c(C[NH+](C)C)c1 ZINC001239809432 779791539 /nfs/dbraw/zinc/79/15/39/779791539.db2.gz RLDZIAQQCCSBHA-UHFFFAOYSA-N 2 0 255.365 2.577 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CCC[C@](O)(C[NH3+])CC2)C1(C)C ZINC001205210530 779918360 /nfs/dbraw/zinc/91/83/60/779918360.db2.gz PPBZMHUTXAAYNR-DOTOQJQBSA-N 2 0 280.456 2.545 20 0 CFADRP [NH3+]CC[C@@H]1CN(c2[nH+]ccc3c2CCN3)c2ccccc21 ZINC001168544566 779923282 /nfs/dbraw/zinc/92/32/82/779923282.db2.gz KGZOAWJNJWKJSW-GFCCVEGCSA-N 2 0 280.375 2.634 20 0 CFADRP Fc1cc2[nH]ccc2c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001240038139 779926164 /nfs/dbraw/zinc/92/61/64/779926164.db2.gz SWOZJXHMUFPYHL-UHFFFAOYSA-N 2 0 296.349 2.779 20 0 CFADRP CCCn1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cn1 ZINC001240133758 779957941 /nfs/dbraw/zinc/95/79/41/779957941.db2.gz CFMPVCBWPROBRG-UHFFFAOYSA-N 2 0 298.434 2.883 20 0 CFADRP COC[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000721920409 779972947 /nfs/dbraw/zinc/97/29/47/779972947.db2.gz PCJPYNPOKFNIPQ-SJORKVTESA-N 2 0 282.472 2.617 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000715520585 780009627 /nfs/dbraw/zinc/00/96/27/780009627.db2.gz VQDNVGBOXHXEBZ-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc2c1CC[C@H]2[NH3+] ZINC001168600827 780030334 /nfs/dbraw/zinc/03/03/34/780030334.db2.gz FPXSWOAHIIETOT-PVAVHDDUSA-N 2 0 273.424 2.917 20 0 CFADRP CN1CC[NH+](Cc2cccc(-c3ccccc3C[NH3+])c2)CC1 ZINC001240298476 780054139 /nfs/dbraw/zinc/05/41/39/780054139.db2.gz CKOVPBYYXOPUJC-UHFFFAOYSA-N 2 0 295.430 2.560 20 0 CFADRP Cc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1C ZINC001239716056 780106398 /nfs/dbraw/zinc/10/63/98/780106398.db2.gz FDOGIMGTXOWGQL-UHFFFAOYSA-N 2 0 267.376 2.775 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2ncc3c(n2)C[NH2+]C3)cc1 ZINC001240361550 780114256 /nfs/dbraw/zinc/11/42/56/780114256.db2.gz LDMDECFYKJKYSB-UHFFFAOYSA-N 2 0 282.391 2.635 20 0 CFADRP Cc1c(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)cnn1C ZINC001240383624 780127793 /nfs/dbraw/zinc/12/77/93/780127793.db2.gz KSQNTJLHJQJFIZ-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP Fc1ccc(C2=CC[NH2+]CC2)cc1C[NH+]1CCCC1 ZINC001240471144 780187131 /nfs/dbraw/zinc/18/71/31/780187131.db2.gz WNRRXMCGJVTQPV-UHFFFAOYSA-N 2 0 260.356 2.798 20 0 CFADRP Cc1ccc2[nH]c(C[NH+]3CCC(C[NH3+])CC3)cc2c1 ZINC001205033386 780198529 /nfs/dbraw/zinc/19/85/29/780198529.db2.gz DPUJZKIFHAUAJB-UHFFFAOYSA-N 2 0 257.381 2.647 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1CC ZINC001205040774 780229773 /nfs/dbraw/zinc/22/97/73/780229773.db2.gz IIUVPZAWTMEDJV-UHFFFAOYSA-N 2 0 276.424 2.818 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168683912 780320246 /nfs/dbraw/zinc/32/02/46/780320246.db2.gz BYJCMLDRTDQQBQ-CYBMUJFWSA-N 2 0 266.816 2.868 20 0 CFADRP [NH3+][C@H]1CCCC[C@@H]1OCc1ccccc1C1=CCC[NH2+]C1 ZINC001240671716 780344898 /nfs/dbraw/zinc/34/48/98/780344898.db2.gz VWWHDEYNUDGNDH-ROUUACIJSA-N 2 0 286.419 2.850 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000453262879 780428782 /nfs/dbraw/zinc/42/87/82/780428782.db2.gz XVHSFJXZRVFVOZ-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP c1cnc2c(c1)cccc2-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001240894348 780503337 /nfs/dbraw/zinc/50/33/37/780503337.db2.gz FUQYPRBZIGKWME-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP C[NH+](C)CC1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000360817227 780585837 /nfs/dbraw/zinc/58/58/37/780585837.db2.gz CGYPBEGVQVWHLJ-UHFFFAOYSA-N 2 0 268.445 2.606 20 0 CFADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168743424 780599151 /nfs/dbraw/zinc/59/91/51/780599151.db2.gz KWFUTVPNPAAFLA-CKEIUWERSA-N 2 0 290.838 2.691 20 0 CFADRP COC(=O)C1(C)CCC([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC001168750045 780628848 /nfs/dbraw/zinc/62/88/48/780628848.db2.gz CYEWALGDKPTFNK-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCc2cccs2)CC[C@@H]1C(F)(F)F ZINC000700817035 780726506 /nfs/dbraw/zinc/72/65/06/780726506.db2.gz PCGYVSLXXZMFGL-PWSUYJOCSA-N 2 0 292.370 2.750 20 0 CFADRP C[NH+]1CCCC[C@H]1c1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241317342 780777134 /nfs/dbraw/zinc/77/71/34/780777134.db2.gz MIXCMZMSPJSJCI-KRWDZBQOSA-N 2 0 271.408 2.957 20 0 CFADRP CSc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001241316280 780777842 /nfs/dbraw/zinc/77/78/42/780777842.db2.gz XDUWPSCCLBDWFZ-UHFFFAOYSA-N 2 0 285.416 2.880 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000701479647 780807616 /nfs/dbraw/zinc/80/76/16/780807616.db2.gz MSTXKMCILCOACK-LBPRGKRZSA-N 2 0 260.372 2.743 20 0 CFADRP C[N@@H+]1CCC=C(c2ccccc2C2CC[NH2+]CC2)C1 ZINC001241572315 780989287 /nfs/dbraw/zinc/98/92/87/780989287.db2.gz WCFIRCDZJKNNFN-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP CC[NH+](CC)Cc1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241614472 781018378 /nfs/dbraw/zinc/01/83/78/781018378.db2.gz OWRNZJJAJJLGJS-UHFFFAOYSA-N 2 0 284.407 2.536 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000703574531 781035253 /nfs/dbraw/zinc/03/52/53/781035253.db2.gz BWUWBXRGTBSWLK-OWCLPIDISA-N 2 0 258.409 2.861 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(F)cn3)c2)CC1 ZINC001241809730 781138762 /nfs/dbraw/zinc/13/87/62/781138762.db2.gz WATOXZSCCSVCFQ-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP [NH3+]Cc1ccc(-c2cccc(OCC[NH+]3CCCC3)n2)cc1 ZINC001241911835 781176872 /nfs/dbraw/zinc/17/68/72/781176872.db2.gz DTBHLUYTEUDXSW-UHFFFAOYSA-N 2 0 297.402 2.682 20 0 CFADRP Cc1ccc(-c2ccc(C[NH3+])cc2)c(C[NH+]2CCOCC2)c1 ZINC001241916325 781179654 /nfs/dbraw/zinc/17/96/54/781179654.db2.gz IQMZEQALNNMKAE-UHFFFAOYSA-N 2 0 296.414 2.953 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccc(C[NH3+])cc2)cc1F ZINC001241917382 781180109 /nfs/dbraw/zinc/18/01/09/781180109.db2.gz HGWKJIBMZUVSTH-UHFFFAOYSA-N 2 0 288.366 2.892 20 0 CFADRP c1c(C[NH2+][C@H]2CCCC23CC3)sc2c1C[NH2+]CC2 ZINC000706536090 781186516 /nfs/dbraw/zinc/18/65/16/781186516.db2.gz MKHWVNKSBYSTSO-AWEZNQCLSA-N 2 0 262.422 2.816 20 0 CFADRP COc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(C[NH+](C)C)c1 ZINC001242027441 781241392 /nfs/dbraw/zinc/24/13/92/781241392.db2.gz AXNYEQYWEFYENE-CABCVRRESA-N 2 0 272.392 2.665 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(C3=CCOCC3)c2)CC1 ZINC001242077032 781267692 /nfs/dbraw/zinc/26/76/92/781267692.db2.gz KKOIBGJDFSTGDA-UHFFFAOYSA-N 2 0 286.419 2.661 20 0 CFADRP C([C@H]1CC[NH2+]C1)[NH+]1CCC(C2CCCCC2)CC1 ZINC000708771354 781278419 /nfs/dbraw/zinc/27/84/19/781278419.db2.gz WUDPQAXNYDMQPS-AWEZNQCLSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000709693943 781300376 /nfs/dbraw/zinc/30/03/76/781300376.db2.gz CAFAIWJKFLRUTA-HIFRSBDPSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709703501 781302015 /nfs/dbraw/zinc/30/20/15/781302015.db2.gz UVRMHUQCNNUBTL-ZIAGYGMSSA-N 2 0 270.461 2.885 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2CCC[C@@H](CC[NH3+])C2)C(C)(C)O1 ZINC000709704708 781302060 /nfs/dbraw/zinc/30/20/60/781302060.db2.gz XQPIMZYLPLGTLR-KBPBESRZSA-N 2 0 268.445 2.641 20 0 CFADRP CC1(C)C[C@@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C(C)(C)O1 ZINC000709704004 781302305 /nfs/dbraw/zinc/30/23/05/781302305.db2.gz WWPJTZOUKSZBPM-RRQGHBQHSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709702092 781302409 /nfs/dbraw/zinc/30/24/09/781302409.db2.gz KCLPMPMFGXIAOM-CQSZACIVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC[C@@H]1[NH3+] ZINC000709733922 781304138 /nfs/dbraw/zinc/30/41/38/781304138.db2.gz UQLCUJMRJKKSML-RDBSUJKOSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709732286 781304391 /nfs/dbraw/zinc/30/43/91/781304391.db2.gz KSURZONJNKRCHB-JSGCOSHPSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000709578610 781315080 /nfs/dbraw/zinc/31/50/80/781315080.db2.gz NHNVIDIJDJRCLA-VXGBXAGGSA-N 2 0 264.335 2.650 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000709827449 781318920 /nfs/dbraw/zinc/31/89/20/781318920.db2.gz PZUHGRAJZKAKIT-ZIAGYGMSSA-N 2 0 286.341 2.872 20 0 CFADRP COc1cccc(C[N@H+](C)CCCCCC[NH3+])c1F ZINC000710818909 781340451 /nfs/dbraw/zinc/34/04/51/781340451.db2.gz LFAKJYSVQXKBRV-UHFFFAOYSA-N 2 0 268.376 2.785 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)OC1 ZINC000711360132 781415905 /nfs/dbraw/zinc/41/59/05/781415905.db2.gz MXFOIFVYNGFAOM-FXUDXRNXSA-N 2 0 280.456 2.702 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1ccc(F)cc1F ZINC001118243500 781521907 /nfs/dbraw/zinc/52/19/07/781521907.db2.gz TZBVRUVPNLRLFA-AWEZNQCLSA-N 2 0 268.351 2.711 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000594514746 349437641 /nfs/dbraw/zinc/43/76/41/349437641.db2.gz OHIKTFBLDZAXBP-ZDUSSCGKSA-N 2 0 298.471 2.817 20 0 CFADRP c1csc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127716778 187328465 /nfs/dbraw/zinc/32/84/65/187328465.db2.gz XJOQDDCHXOAUHS-QWHCGFSZSA-N 2 0 250.411 2.507 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c2ccccc2n1 ZINC000124938017 187162279 /nfs/dbraw/zinc/16/22/79/187162279.db2.gz XEFMLYAXILQUSZ-HNNXBMFYSA-N 2 0 283.419 2.927 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cccc(Cl)c1F ZINC000125129763 187171327 /nfs/dbraw/zinc/17/13/27/187171327.db2.gz NXPFMPPQBDFMPR-UHFFFAOYSA-N 2 0 258.768 2.911 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595003789 349543894 /nfs/dbraw/zinc/54/38/94/349543894.db2.gz KCLDTHXYTADQFV-CQSZACIVSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000595045845 349562849 /nfs/dbraw/zinc/56/28/49/349562849.db2.gz HWNUUDXVHNAZJH-RDBSUJKOSA-N 2 0 274.449 2.684 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2(CSC)CC2)[C@H](C)C1 ZINC000595064625 349571938 /nfs/dbraw/zinc/57/19/38/349571938.db2.gz DBBIHKWEURWVID-KGLIPLIRSA-N 2 0 270.486 2.840 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2(CSC)CC2)[C@H](C)C1 ZINC000595064627 349572392 /nfs/dbraw/zinc/57/23/92/349572392.db2.gz DBBIHKWEURWVID-ZIAGYGMSSA-N 2 0 270.486 2.840 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000093491032 282155011 /nfs/dbraw/zinc/15/50/11/282155011.db2.gz MUYKPXRQPBAIGW-QLFBSQMISA-N 2 0 279.453 2.852 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000125521507 187189188 /nfs/dbraw/zinc/18/91/88/187189188.db2.gz ZUKIFFNJCUYLCS-FVQBIDKESA-N 2 0 276.399 2.973 20 0 CFADRP CC[C@H](CSC)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000162228889 529409409 /nfs/dbraw/zinc/40/94/09/529409409.db2.gz KKTQLAQDJZZUJA-CQSZACIVSA-N 2 0 258.475 2.936 20 0 CFADRP CSC1(C[NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000290315836 197668323 /nfs/dbraw/zinc/66/83/23/197668323.db2.gz JBNUWKUJGNKOQD-UHFFFAOYSA-N 2 0 264.438 2.733 20 0 CFADRP C[C@H](c1ccccc1F)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183490 346907111 /nfs/dbraw/zinc/90/71/11/346907111.db2.gz KAVHTEUIRBFMRJ-GFCCVEGCSA-N 2 0 250.361 2.948 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000070188273 346908040 /nfs/dbraw/zinc/90/80/40/346908040.db2.gz VUGWRIFKEJUZIP-UHFFFAOYSA-N 2 0 285.391 2.902 20 0 CFADRP CC[C@H]([NH2+]CC1(c2cccc(OC)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423121584 529593449 /nfs/dbraw/zinc/59/34/49/529593449.db2.gz JBVFYNWCCZPOFY-IRXDYDNUSA-N 2 0 288.435 2.847 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1C[C@H]1C ZINC000414114640 529584869 /nfs/dbraw/zinc/58/48/69/529584869.db2.gz LXKQLYTUODFVGY-OHFALNGGSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@H]1C[C@@H]1C ZINC000414063009 529585252 /nfs/dbraw/zinc/58/52/52/529585252.db2.gz CHDSNANAUPTEMS-BPUTZDHNSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000414083043 529610259 /nfs/dbraw/zinc/61/02/59/529610259.db2.gz VPPQIFIDYXNGJH-ZACQAIPSSA-N 2 0 295.515 2.674 20 0 CFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414800292 529595604 /nfs/dbraw/zinc/59/56/04/529595604.db2.gz SETBFBIIFYFCIG-DZGCQCFKSA-N 2 0 291.439 2.539 20 0 CFADRP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414800593 529595639 /nfs/dbraw/zinc/59/56/39/529595639.db2.gz SETBFBIIFYFCIG-HIFRSBDPSA-N 2 0 291.439 2.539 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CC1(C)C ZINC000414110956 529595959 /nfs/dbraw/zinc/59/59/59/529595959.db2.gz IOEAYKHLADSLIC-JYJNAYRXSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H]([NH2+]CCCOc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422916219 529598894 /nfs/dbraw/zinc/59/88/94/529598894.db2.gz CVSMMSCRNAAQIR-IRXDYDNUSA-N 2 0 292.423 2.584 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422753499 529630176 /nfs/dbraw/zinc/63/01/76/529630176.db2.gz IKYIZXARCKMXCF-RHSMWYFYSA-N 2 0 260.425 2.769 20 0 CFADRP CC[C@H](NCc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCC[NH2+]1 ZINC000422741464 529630651 /nfs/dbraw/zinc/63/06/51/529630651.db2.gz OILOUVHJEUHDKT-ROUUACIJSA-N 2 0 289.467 2.759 20 0 CFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422948352 529638525 /nfs/dbraw/zinc/63/85/25/529638525.db2.gz REZABVASMASXSJ-UONOGXRCSA-N 2 0 291.439 2.888 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000422816965 529663758 /nfs/dbraw/zinc/66/37/58/529663758.db2.gz BUDDKWMFKFMHGI-YGRLFVJLSA-N 2 0 252.789 2.989 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)[C@@H]1CCOC1 ZINC000311576416 529664586 /nfs/dbraw/zinc/66/45/86/529664586.db2.gz SETSSNSVAHPALO-OAGGEKHMSA-N 2 0 270.461 2.902 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC12CCC(CC1)C2 ZINC000450594654 282215245 /nfs/dbraw/zinc/21/52/45/282215245.db2.gz CWVWAGYBWQEDLL-MFJUZZNBSA-N 2 0 292.467 2.750 20 0 CFADRP COC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000126052206 293145913 /nfs/dbraw/zinc/14/59/13/293145913.db2.gz JIMQPLZQOHXUPP-ZDUSSCGKSA-N 2 0 256.434 2.556 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccsc1 ZINC000422810122 282249527 /nfs/dbraw/zinc/24/95/27/282249527.db2.gz SSSDQLZMDSXWRI-SOUVJXGZSA-N 2 0 281.469 2.600 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Br)c1 ZINC000126746987 187259884 /nfs/dbraw/zinc/25/98/84/187259884.db2.gz KYZONWSRIALZHH-JQWIXIFHSA-N 2 0 283.213 2.618 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)o1 ZINC000423260982 529706648 /nfs/dbraw/zinc/70/66/48/529706648.db2.gz RBSGLCJFRQTCEL-OLZOCXBDSA-N 2 0 250.386 2.882 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc(Cl)c(OC)c2)CC1 ZINC000294993069 199289485 /nfs/dbraw/zinc/28/94/85/199289485.db2.gz LNWAYABYXGTCGF-UHFFFAOYSA-N 2 0 296.842 2.965 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000358340846 282273567 /nfs/dbraw/zinc/27/35/67/282273567.db2.gz MMYUCLVUFHMSMQ-BMFZPTHFSA-N 2 0 270.461 2.900 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)o1 ZINC000423327640 529721022 /nfs/dbraw/zinc/72/10/22/529721022.db2.gz LMLIUBGLAHJCKC-LBPRGKRZSA-N 2 0 250.386 2.882 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)s1 ZINC000423335559 529721087 /nfs/dbraw/zinc/72/10/87/529721087.db2.gz GLJVCLZYCBTGNQ-NSHDSACASA-N 2 0 250.411 2.881 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230493417 282282116 /nfs/dbraw/zinc/28/21/16/282282116.db2.gz YNXKZHKAHMBMQG-BZUAXINKSA-N 2 0 262.397 2.518 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]C[C@H](C)C[NH2+]C)CCC2 ZINC000423255508 529747858 /nfs/dbraw/zinc/74/78/58/529747858.db2.gz AGOIKFPWNGHQCP-GHMZBOCLSA-N 2 0 267.442 2.528 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccc(F)cc1 ZINC000127984792 187345013 /nfs/dbraw/zinc/34/50/13/187345013.db2.gz XIFXYZRHZAONAS-UMVBOHGHSA-N 2 0 280.387 2.665 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccc(F)cc1 ZINC000128034087 187347425 /nfs/dbraw/zinc/34/74/25/187347425.db2.gz OFUOWXZXHHDHCU-WBOJAVRRSA-N 2 0 294.414 2.911 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2ccc3c(c2)CCO3)CC1 ZINC000088101615 539368934 /nfs/dbraw/zinc/36/89/34/539368934.db2.gz VTGXKFHPXOWNMO-UHFFFAOYSA-N 2 0 288.435 2.628 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000119905130 539366733 /nfs/dbraw/zinc/36/67/33/539366733.db2.gz YPHHEZZDOGBNIG-JTQLQIEISA-N 2 0 267.442 2.580 20 0 CFADRP CN(CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Cc1ccc(F)cc1 ZINC000422820516 529917725 /nfs/dbraw/zinc/91/77/25/529917725.db2.gz RAJIHOYZGWYPIB-DLBZAZTESA-N 2 0 293.430 2.507 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCc2ccsc2)CC1 ZINC000420287798 529959014 /nfs/dbraw/zinc/95/90/14/529959014.db2.gz GPIOWYOLSNQWSU-UHFFFAOYSA-N 2 0 252.427 2.612 20 0 CFADRP C[NH2+]CCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414857232 529970854 /nfs/dbraw/zinc/97/08/54/529970854.db2.gz CALZVGSXKFBUIO-UHFFFAOYSA-N 2 0 295.858 2.504 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414841412 529985313 /nfs/dbraw/zinc/98/53/13/529985313.db2.gz NZRFSILDXXZAHU-SECBINFHSA-N 2 0 292.757 2.887 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414843004 529985466 /nfs/dbraw/zinc/98/54/66/529985466.db2.gz PJPPWVGGHSIDFU-LLVKDONJSA-N 2 0 290.329 2.573 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423276683 529985874 /nfs/dbraw/zinc/98/58/74/529985874.db2.gz OSRGHOBFPVZAJK-CHWSQXEVSA-N 2 0 260.381 2.809 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000423282314 529985930 /nfs/dbraw/zinc/98/59/30/529985930.db2.gz WKJCMRPNXYPZLF-WBVHZDCISA-N 2 0 278.440 2.673 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000423274011 529986077 /nfs/dbraw/zinc/98/60/77/529986077.db2.gz LOOITDNDWIDSCF-PBHICJAKSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423270326 529986313 /nfs/dbraw/zinc/98/63/13/529986313.db2.gz HSPCACOBDQDECJ-ABAIWWIYSA-N 2 0 250.361 2.648 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000423277254 529986415 /nfs/dbraw/zinc/98/64/15/529986415.db2.gz PLPQLCXOOLMRSB-RHSMWYFYSA-N 2 0 260.425 2.761 20 0 CFADRP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1CC([NH3+])C1 ZINC000414777961 529995466 /nfs/dbraw/zinc/99/54/66/529995466.db2.gz PLAYFAIKWGLUGR-UHFFFAOYSA-N 2 0 288.313 2.549 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000414843950 529998767 /nfs/dbraw/zinc/99/87/67/529998767.db2.gz QTGJLFYBJSVFLW-RYUDHWBXSA-N 2 0 254.805 2.889 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000414832197 529998820 /nfs/dbraw/zinc/99/88/20/529998820.db2.gz FBRNMPSLAWSYIE-AWEZNQCLSA-N 2 0 264.413 2.667 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414849195 529999062 /nfs/dbraw/zinc/99/90/62/529999062.db2.gz XRHFBDGPZCHGJZ-AWEZNQCLSA-N 2 0 269.392 2.694 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000423271635 529999139 /nfs/dbraw/zinc/99/91/39/529999139.db2.gz JDHOVIQRJRNKKY-KBPBESRZSA-N 2 0 286.423 2.593 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414831103 529999225 /nfs/dbraw/zinc/99/92/25/529999225.db2.gz CADHKNMNYKBFNN-NWDGAFQWSA-N 2 0 299.256 2.825 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000423268368 529999356 /nfs/dbraw/zinc/99/93/56/529999356.db2.gz GDZKKKLPYDACRM-HOCLYGCPSA-N 2 0 278.440 2.707 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423256418 529999578 /nfs/dbraw/zinc/99/95/78/529999578.db2.gz BXHREAHHCYSRFO-OFQRWUPVSA-N 2 0 261.413 2.553 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423256417 530000067 /nfs/dbraw/zinc/00/00/67/530000067.db2.gz BXHREAHHCYSRFO-LZWOXQAQSA-N 2 0 261.413 2.553 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423256159 530000228 /nfs/dbraw/zinc/00/02/28/530000228.db2.gz BIWXDQLCFNFREQ-XIRDDKMYSA-N 2 0 290.451 2.815 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414661792 530001531 /nfs/dbraw/zinc/00/15/31/530001531.db2.gz XZKMMHUWSQUGGQ-PVAVHDDUSA-N 2 0 258.409 2.722 20 0 CFADRP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000121339726 539404796 /nfs/dbraw/zinc/40/47/96/539404796.db2.gz ICXMFDZNMGPUBC-IYBDPMFKSA-N 2 0 294.483 2.924 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423165624 530060990 /nfs/dbraw/zinc/06/09/90/530060990.db2.gz BHPRQTVDWNGCAU-BRSBDYLESA-N 3 0 293.499 2.619 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000127365862 187300359 /nfs/dbraw/zinc/30/03/59/187300359.db2.gz VQWCJZQOOYOHGY-AEFFLSMTSA-N 2 0 289.467 2.672 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000094182684 232179135 /nfs/dbraw/zinc/17/91/35/232179135.db2.gz XLWIRPVMOHUWNB-YQQAZPJKSA-N 2 0 260.425 2.856 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000154624636 232226895 /nfs/dbraw/zinc/22/68/95/232226895.db2.gz SCZHTHWXCDINKJ-UONOGXRCSA-N 2 0 262.397 2.830 20 0 CFADRP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000129989562 539484125 /nfs/dbraw/zinc/48/41/25/539484125.db2.gz QDUANZLATXQSEB-JKSUJKDBSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000123102255 539484349 /nfs/dbraw/zinc/48/43/49/539484349.db2.gz FMEOUWZOAWTJFY-KBPBESRZSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000070174800 539486275 /nfs/dbraw/zinc/48/62/75/539486275.db2.gz RXLCGUMCPBBCJZ-CHWSQXEVSA-N 2 0 282.428 2.977 20 0 CFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000668437884 539487877 /nfs/dbraw/zinc/48/78/77/539487877.db2.gz UGOKKLNWUBQLEG-OAHLLOKOSA-N 2 0 296.418 2.839 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000164564851 232259670 /nfs/dbraw/zinc/25/96/70/232259670.db2.gz BEFUAZKOOAJIHK-ZDUSSCGKSA-N 2 0 289.423 2.737 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3CCC3)CC2)C[C@H](C)O1 ZINC000173623161 232278577 /nfs/dbraw/zinc/27/85/77/232278577.db2.gz GIEAGZHAKKWMBE-GASCZTMLSA-N 2 0 280.456 2.608 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C[C@@H]1OC ZINC000423336185 282452477 /nfs/dbraw/zinc/45/24/77/282452477.db2.gz JOTJGJDVDBMYIO-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000037613389 346331504 /nfs/dbraw/zinc/33/15/04/346331504.db2.gz HOJTUKOTROBEOT-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc(F)c(Cl)c1 ZINC000053157909 346539560 /nfs/dbraw/zinc/53/95/60/346539560.db2.gz BCPUJIWYUBYIRF-ONGXEEELSA-N 2 0 256.752 2.791 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])Nc2ccccc2)C1 ZINC000066243377 346751380 /nfs/dbraw/zinc/75/13/80/346751380.db2.gz YTGXACYYJKSJBL-GJZGRUSLSA-N 2 0 288.439 2.991 20 0 CFADRP CC(C)C[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+](C)C ZINC000066245060 346751426 /nfs/dbraw/zinc/75/14/26/346751426.db2.gz IJZLDXOJLUHRAP-CQSZACIVSA-N 2 0 262.401 2.599 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000079620931 347317259 /nfs/dbraw/zinc/31/72/59/347317259.db2.gz TYYQMPOUFBLVTB-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675757 347481915 /nfs/dbraw/zinc/48/19/15/347481915.db2.gz MYJXYCNYVGATAM-XHSDSOJGSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000090772491 347556700 /nfs/dbraw/zinc/55/67/00/347556700.db2.gz QEKGEDXUUJEXMA-OCCSQVGLSA-N 2 0 282.815 2.649 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000090919132 347562533 /nfs/dbraw/zinc/56/25/33/347562533.db2.gz DTAMLXWANMQUFQ-LRDDRELGSA-N 2 0 294.389 2.926 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000091670366 347594959 /nfs/dbraw/zinc/59/49/59/347594959.db2.gz PWRDJEASORIQBN-WBVHZDCISA-N 2 0 258.409 2.816 20 0 CFADRP CC[C@@H](C)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000093066998 347660633 /nfs/dbraw/zinc/66/06/33/347660633.db2.gz GETGPMJFQGDQTJ-SJLPKXTDSA-N 2 0 289.467 2.611 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093516149 347678549 /nfs/dbraw/zinc/67/85/49/347678549.db2.gz ZBEKCNHYJCHBSO-NVXWUHKLSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCn1ccnc1 ZINC000093516214 347678930 /nfs/dbraw/zinc/67/89/30/347678930.db2.gz FCURYBUGIYOTNZ-HOTGVXAUSA-N 2 0 278.444 2.564 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000093742124 347681779 /nfs/dbraw/zinc/68/17/79/347681779.db2.gz JQHLVZIDVYJISO-CQSZACIVSA-N 2 0 286.423 2.727 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000094009746 347689719 /nfs/dbraw/zinc/68/97/19/347689719.db2.gz UEGOVHLMXIRRBW-LLVKDONJSA-N 2 0 284.350 2.938 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010455 347690053 /nfs/dbraw/zinc/69/00/53/347690053.db2.gz LOBSXPQWNRWPJQ-CYBMUJFWSA-N 2 0 250.411 2.715 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000094951037 347697603 /nfs/dbraw/zinc/69/76/03/347697603.db2.gz DRXMZJZJFGEWGO-LSDHHAIUSA-N 2 0 250.361 2.536 20 0 CFADRP CCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112120202 347758311 /nfs/dbraw/zinc/75/83/11/347758311.db2.gz NYZDJJBCIGFIQN-UHFFFAOYSA-N 2 0 281.403 2.966 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCOC(C)C)[C@H](C)C1 ZINC000127083436 347839024 /nfs/dbraw/zinc/83/90/24/347839024.db2.gz VQSRIJRGHGXMBI-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccs1 ZINC000126163503 347832168 /nfs/dbraw/zinc/83/21/68/347832168.db2.gz OPBGOHLBMREDFC-VXGBXAGGSA-N 2 0 252.427 2.885 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000131433263 347878205 /nfs/dbraw/zinc/87/82/05/347878205.db2.gz SBIUIANDLNJLPK-TZMCWYRMSA-N 2 0 255.365 2.546 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000133991396 347894774 /nfs/dbraw/zinc/89/47/74/347894774.db2.gz XPJATMSKVPLHGJ-MSOLQXFVSA-N 2 0 293.499 2.596 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000124594286 539593705 /nfs/dbraw/zinc/59/37/05/539593705.db2.gz WNBFWFJYYHXPIA-KBPBESRZSA-N 2 0 294.414 2.913 20 0 CFADRP CC(C)=CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959590 348111436 /nfs/dbraw/zinc/11/14/36/348111436.db2.gz JBGTWEWPYXCMHC-UHFFFAOYSA-N 2 0 266.429 2.529 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@H]21 ZINC000228537685 348195458 /nfs/dbraw/zinc/19/54/58/348195458.db2.gz HOVSQSWKKSPBCR-IAOVAPTHSA-N 2 0 281.403 2.794 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCCCCC1 ZINC000237975157 348244120 /nfs/dbraw/zinc/24/41/20/348244120.db2.gz OVLXJMAPLFSIMJ-MRXNPFEDSA-N 2 0 268.445 2.536 20 0 CFADRP CCc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000259027583 348308570 /nfs/dbraw/zinc/30/85/70/348308570.db2.gz OJQFNHBJPYGKMQ-UHFFFAOYSA-N 2 0 254.377 2.998 20 0 CFADRP C1CCC([NH+]2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)C1 ZINC000336612273 348451866 /nfs/dbraw/zinc/45/18/66/348451866.db2.gz BHPZLUUKCXGOJI-AEFFLSMTSA-N 2 0 291.483 2.610 20 0 CFADRP CSC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000400085700 348571343 /nfs/dbraw/zinc/57/13/43/348571343.db2.gz QBICGUKZAGEPDT-INIZCTEOSA-N 2 0 276.449 2.660 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400995996 348576427 /nfs/dbraw/zinc/57/64/27/348576427.db2.gz KPEIZSNORUJRIY-REBRKWNGSA-N 2 0 264.438 2.657 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000090724037 539655928 /nfs/dbraw/zinc/65/59/28/539655928.db2.gz MVCQNTOYSFWEIF-AWEZNQCLSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC1CC[NH2+]CC1 ZINC000584834109 348720187 /nfs/dbraw/zinc/72/01/87/348720187.db2.gz YVLCCIBSHKKVOL-JTQLQIEISA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC1CC[NH2+]CC1 ZINC000584834110 348720361 /nfs/dbraw/zinc/72/03/61/348720361.db2.gz YVLCCIBSHKKVOL-SNVBAGLBSA-N 2 0 252.324 2.697 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC12CCCC2 ZINC000584714305 348707907 /nfs/dbraw/zinc/70/79/07/348707907.db2.gz HBVWJRBWDUVTNL-WFASDCNBSA-N 2 0 259.397 2.832 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCCc3sccc3C2)CC[NH2+]1 ZINC000666639322 539667760 /nfs/dbraw/zinc/66/77/60/539667760.db2.gz UXDCOWAQOUFIMH-STQMWFEESA-N 2 0 264.438 2.884 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH2+][C@H](C)c1ccon1)c1ccon1 ZINC000349231351 539689037 /nfs/dbraw/zinc/68/90/37/539689037.db2.gz AKGSPWPZVYFEQT-CHWSQXEVSA-N 2 0 292.383 2.834 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)C1 ZINC000564739905 290229166 /nfs/dbraw/zinc/22/91/66/290229166.db2.gz LOTVOJRQVGFLCL-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000397239030 539690302 /nfs/dbraw/zinc/69/03/02/539690302.db2.gz KLYYCJFNYLVTGX-INMHGKMJSA-N 2 0 276.424 2.508 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C(=O)OC)CC1 ZINC000590655622 348921740 /nfs/dbraw/zinc/92/17/40/348921740.db2.gz LWOFBRUHPJYOKS-CVEARBPZSA-N 2 0 296.455 2.572 20 0 CFADRP c1cn([C@H]2CCCN(Cc3nc4ccccc4o3)C2)cn1 ZINC000591082537 348985687 /nfs/dbraw/zinc/98/56/87/348985687.db2.gz HXVBNWOWUCGRET-ZDUSSCGKSA-N 2 0 282.347 2.861 20 0 CFADRP Clc1ccccc1SCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000590783885 348948872 /nfs/dbraw/zinc/94/88/72/348948872.db2.gz DKFORJTWCMJSGJ-CHWSQXEVSA-N 2 0 296.867 2.973 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1C ZINC000414097589 233166716 /nfs/dbraw/zinc/16/67/16/233166716.db2.gz PLVYAPYNBXCDHZ-JKIFEVAISA-N 2 0 273.424 2.932 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000414165113 233184926 /nfs/dbraw/zinc/18/49/26/233184926.db2.gz BOSUYJJFSJNSOX-FALBREPDSA-N 2 0 276.399 3.000 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cncc(F)c1 ZINC000414172501 233187058 /nfs/dbraw/zinc/18/70/58/233187058.db2.gz FIZFZMOUAVYHAB-QWHCGFSZSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H]1C[C@H](Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000127857267 539729927 /nfs/dbraw/zinc/72/99/27/539729927.db2.gz BDRCPFGPUNFLRU-XJKSGUPXSA-N 2 0 261.413 2.643 20 0 CFADRP Cc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)nn1 ZINC000414348466 233234008 /nfs/dbraw/zinc/23/40/08/233234008.db2.gz IZPHRQIHGCLNHP-UHFFFAOYSA-N 2 0 276.428 2.531 20 0 CFADRP CCOC(=O)C1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000593647095 349303632 /nfs/dbraw/zinc/30/36/32/349303632.db2.gz VVIKQBAAGLDPTH-UHFFFAOYSA-N 2 0 298.471 2.676 20 0 CFADRP Cc1occc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414394785 233245997 /nfs/dbraw/zinc/24/59/97/233245997.db2.gz PVDFGZPJSFYTDV-ZIAGYGMSSA-N 2 0 280.412 2.567 20 0 CFADRP CSC1(C[NH2+]Cc2ccoc2C)CC[NH+](C)CC1 ZINC000414453297 233256434 /nfs/dbraw/zinc/25/64/34/233256434.db2.gz MYPPACGYPQAQOS-UHFFFAOYSA-N 2 0 268.426 2.505 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@]2(C)C(=O)OCC)CC1 ZINC000597244199 350071307 /nfs/dbraw/zinc/07/13/07/350071307.db2.gz ZMXSHJBGNOCUJY-NVXWUHKLSA-N 2 0 296.455 2.572 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@]2(C)C(=O)OCC)CC1 ZINC000597244201 350071319 /nfs/dbraw/zinc/07/13/19/350071319.db2.gz ZMXSHJBGNOCUJY-WBVHZDCISA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H]1SCC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000220585041 539753112 /nfs/dbraw/zinc/75/31/12/539753112.db2.gz ZCGIPNMTUBDWRY-OCCSQVGLSA-N 2 0 277.437 2.534 20 0 CFADRP Cc1ccccc1C[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414673380 233322855 /nfs/dbraw/zinc/32/28/55/233322855.db2.gz CAVOARPSZRDJQE-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC000414676024 233322939 /nfs/dbraw/zinc/32/29/39/233322939.db2.gz MSTNIGJCCVHZAW-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP Cc1ccccc1N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414677793 233323031 /nfs/dbraw/zinc/32/30/31/233323031.db2.gz JRSSVWRQSHYQMN-SJORKVTESA-N 2 0 287.451 2.505 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCOc2ccccc2F)CC[NH2+]1 ZINC000414682714 233324464 /nfs/dbraw/zinc/32/44/64/233324464.db2.gz RUDBUVOHRDZGCG-UONOGXRCSA-N 2 0 280.387 2.524 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414704369 233332780 /nfs/dbraw/zinc/33/27/80/233332780.db2.gz NBTYNXIWYGXMPI-BZUAXINKSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414694774 233329564 /nfs/dbraw/zinc/32/95/64/233329564.db2.gz NUAJGJRBEMQCKG-FMKPAKJESA-N 2 0 276.424 2.643 20 0 CFADRP CCOc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414748797 233342563 /nfs/dbraw/zinc/34/25/63/233342563.db2.gz VAFZZTFZQOMBSQ-GJZGRUSLSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414715464 233336461 /nfs/dbraw/zinc/33/64/61/233336461.db2.gz WXJNXHGGQIPWKN-QWHCGFSZSA-N 2 0 262.372 2.793 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414746271 233340928 /nfs/dbraw/zinc/34/09/28/233340928.db2.gz YUNRZACXSJTUGP-XIRDDKMYSA-N 2 0 258.409 2.851 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000414802333 233357698 /nfs/dbraw/zinc/35/76/98/233357698.db2.gz MSBJEHXKVJMRHB-NVXWUHKLSA-N 2 0 276.424 2.953 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000414786111 233350775 /nfs/dbraw/zinc/35/07/75/233350775.db2.gz WUGOWHXNNSJQGN-DOTOQJQBSA-N 2 0 258.409 2.739 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789059 233352049 /nfs/dbraw/zinc/35/20/49/233352049.db2.gz XSZWOXRIOCLLOF-JKSUJKDBSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789008 233352271 /nfs/dbraw/zinc/35/22/71/233352271.db2.gz XQTDPCWOXFTNBR-HOTGVXAUSA-N 2 0 290.455 2.594 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414794431 233353441 /nfs/dbraw/zinc/35/34/41/233353441.db2.gz FQIYFRVNRNESAU-AIROSISHSA-N 2 0 262.372 2.946 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414844020 233376308 /nfs/dbraw/zinc/37/63/08/233376308.db2.gz DCTVPPQPMWCYDD-MRXNPFEDSA-N 2 0 298.434 2.660 20 0 CFADRP c1ccc(OCCCCC[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414847903 233376863 /nfs/dbraw/zinc/37/68/63/233376863.db2.gz PDZWNOJKYFULQC-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414803794 233358527 /nfs/dbraw/zinc/35/85/27/233358527.db2.gz OCGNNFBSQBZPEK-AEFFLSMTSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414810612 233360837 /nfs/dbraw/zinc/36/08/37/233360837.db2.gz VKBIWTKSXGNLKK-CRAIPNDOSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414812580 233361933 /nfs/dbraw/zinc/36/19/33/233361933.db2.gz XMCKGEQJFKZABL-DOMZBBRYSA-N 2 0 294.826 2.882 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414818462 233364244 /nfs/dbraw/zinc/36/42/44/233364244.db2.gz FBFUXFDUXHXCFR-NFAWXSAZSA-N 2 0 264.388 2.734 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414824401 233367341 /nfs/dbraw/zinc/36/73/41/233367341.db2.gz FNMBEGSXRWODMZ-CYBMUJFWSA-N 2 0 258.365 2.830 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414828844 233369612 /nfs/dbraw/zinc/36/96/12/233369612.db2.gz JNVYFSPYVJEMPD-LLVKDONJSA-N 2 0 272.314 2.795 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414832139 233370643 /nfs/dbraw/zinc/37/06/43/233370643.db2.gz DVQREBLPLSIUSN-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000414833790 233371446 /nfs/dbraw/zinc/37/14/46/233371446.db2.gz QFFWJXADDNBXIF-NXNVCVFFSA-N 2 0 258.409 2.768 20 0 CFADRP Fc1cccc(N2CCCC2)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835885 233372453 /nfs/dbraw/zinc/37/24/53/233372453.db2.gz SAJBGOUDJKDFTR-AWEZNQCLSA-N 2 0 291.414 2.515 20 0 CFADRP CCCC1CCC([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000105476796 186058975 /nfs/dbraw/zinc/05/89/75/186058975.db2.gz CYQNVPWKBABALE-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP c1csc(-c2ncc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)c1 ZINC000414842836 233374802 /nfs/dbraw/zinc/37/48/02/233374802.db2.gz ZPKBLBBHUMFDDX-NSHDSACASA-N 2 0 293.461 2.961 20 0 CFADRP c1csc(-c2ncc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)c1 ZINC000414842834 233375186 /nfs/dbraw/zinc/37/51/86/233375186.db2.gz ZPKBLBBHUMFDDX-LLVKDONJSA-N 2 0 293.461 2.961 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414844365 233375457 /nfs/dbraw/zinc/37/54/57/233375457.db2.gz CTYUILDVDIWVDH-WBVHZDCISA-N 2 0 260.425 2.905 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414845063 233375859 /nfs/dbraw/zinc/37/58/59/233375859.db2.gz LMHAVEDJRWTQDT-YESZJQIVSA-N 2 0 258.409 2.739 20 0 CFADRP Fc1cc2cccnc2c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414847284 233375915 /nfs/dbraw/zinc/37/59/15/233375915.db2.gz IPYCHTDOQJFARP-CYBMUJFWSA-N 2 0 287.382 2.853 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414844364 233375958 /nfs/dbraw/zinc/37/59/58/233375958.db2.gz CTYUILDVDIWVDH-RDJZCZTQSA-N 2 0 260.425 2.905 20 0 CFADRP Cc1ccc(C[NH2+]CCCNCc2cccnc2)c(C)c1 ZINC000414871187 233384661 /nfs/dbraw/zinc/38/46/61/233384661.db2.gz DBZXHMYJXKIFMH-UHFFFAOYSA-N 2 0 283.419 2.968 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)CC[NH3+] ZINC000414887253 233388820 /nfs/dbraw/zinc/38/88/20/233388820.db2.gz DEDVWILRZRKNOY-SNVBAGLBSA-N 2 0 260.303 2.841 20 0 CFADRP [NH3+][C@@H](C[NH2+]CCCCCOc1ccccc1)C1CC1 ZINC000414889748 233390043 /nfs/dbraw/zinc/39/00/43/233390043.db2.gz LRNJSKJYEKSOQQ-INIZCTEOSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000414894852 233391839 /nfs/dbraw/zinc/39/18/39/233391839.db2.gz UQUOSIWNIOCIFY-USXIJHARSA-N 2 0 258.409 2.725 20 0 CFADRP c1ccc(-c2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)c2)nc1 ZINC000414912336 233397571 /nfs/dbraw/zinc/39/75/71/233397571.db2.gz HWZHUGIHRMFZTO-KRWDZBQOSA-N 2 0 281.403 2.980 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914863 233398020 /nfs/dbraw/zinc/39/80/20/233398020.db2.gz YRYVAQQBQNSZQV-UHFFFAOYSA-N 2 0 298.434 2.660 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414917897 233398239 /nfs/dbraw/zinc/39/82/39/233398239.db2.gz SINFROQFBSOIGT-GFCCVEGCSA-N 2 0 272.314 2.937 20 0 CFADRP Fc1cc(F)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000414849354 233377425 /nfs/dbraw/zinc/37/74/25/233377425.db2.gz LRRBSQWSQBWQMV-SNVBAGLBSA-N 2 0 272.314 2.583 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414856754 233380458 /nfs/dbraw/zinc/38/04/58/233380458.db2.gz ZEKXGIPMWNEJHC-GFCCVEGCSA-N 2 0 282.815 2.828 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000415007413 233434512 /nfs/dbraw/zinc/43/45/12/233434512.db2.gz BNYPHWYFLJOEDI-AWEZNQCLSA-N 2 0 286.423 2.694 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000415011794 233435030 /nfs/dbraw/zinc/43/50/30/233435030.db2.gz IIAISROEXQUMOA-NSHDSACASA-N 2 0 278.425 2.745 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000415009889 233435346 /nfs/dbraw/zinc/43/53/46/233435346.db2.gz ONFJILPKWILIJF-FGTMMUONSA-N 2 0 270.420 2.522 20 0 CFADRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)n1 ZINC000415014443 233436203 /nfs/dbraw/zinc/43/62/03/233436203.db2.gz ZQGPYAWRSXYKJD-RHSMWYFYSA-N 2 0 298.434 2.694 20 0 CFADRP CSCCCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598975425 350352739 /nfs/dbraw/zinc/35/27/39/350352739.db2.gz IAQXVXADIIDJAW-ZDUSSCGKSA-N 2 0 258.475 2.982 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000598983286 350354159 /nfs/dbraw/zinc/35/41/59/350354159.db2.gz DBZCNPVCHKWYQR-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\c1ccccc1 ZINC000414998603 233428953 /nfs/dbraw/zinc/42/89/53/233428953.db2.gz UHAUMEZZXKTTDZ-KZTVVBDNSA-N 2 0 256.393 2.805 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCOc1ccccc1 ZINC000415000211 233430182 /nfs/dbraw/zinc/43/01/82/233430182.db2.gz SQYWMPIOXZABGW-SFYZZRBRSA-N 2 0 288.435 2.951 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599074305 350371911 /nfs/dbraw/zinc/37/19/11/350371911.db2.gz PQLVEXHHIGDCPK-GXTWGEPZSA-N 2 0 274.449 2.684 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)C1 ZINC000415048357 233446206 /nfs/dbraw/zinc/44/62/06/233446206.db2.gz WUUQXRAUSDXQSN-JQWIXIFHSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)CC1 ZINC000415027797 233440841 /nfs/dbraw/zinc/44/08/41/233440841.db2.gz WZWCQHLMSVYLAH-JOCQHMNTSA-N 2 0 250.361 2.680 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)Cc1cccs1 ZINC000415090366 233463318 /nfs/dbraw/zinc/46/33/18/233463318.db2.gz ZCQAPACAXLVSHS-IHRRRGAJSA-N 2 0 266.454 2.904 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415091690 233464234 /nfs/dbraw/zinc/46/42/34/233464234.db2.gz ZPUYGBXVKYMGFJ-KGLIPLIRSA-N 2 0 264.388 2.654 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415093584 233464523 /nfs/dbraw/zinc/46/45/23/233464523.db2.gz VUXCEBMDTOHBKC-WWGRRREGSA-N 2 0 274.408 2.660 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000092345964 180366731 /nfs/dbraw/zinc/36/67/31/180366731.db2.gz XDMBUHNMIWLGQT-AWEZNQCLSA-N 2 0 269.392 2.585 20 0 CFADRP Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(-c2cccnc2)n1 ZINC000108351506 186212770 /nfs/dbraw/zinc/21/27/70/186212770.db2.gz MOIYACKFPOPNOE-CQSZACIVSA-N 2 0 297.406 2.601 20 0 CFADRP Oc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000668783443 539801808 /nfs/dbraw/zinc/80/18/08/539801808.db2.gz OWDRTIDZOMHXSJ-UHFFFAOYSA-N 2 0 274.408 2.604 20 0 CFADRP Cc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000668784918 539803478 /nfs/dbraw/zinc/80/34/78/539803478.db2.gz KPZUYJVPDRVWEZ-GOSISDBHSA-N 2 0 290.451 2.846 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000110976234 186339242 /nfs/dbraw/zinc/33/92/42/186339242.db2.gz HVJOOMNDWSVPRO-CQSZACIVSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000111229644 186371768 /nfs/dbraw/zinc/37/17/68/186371768.db2.gz ZWZLUKKRZVDQLC-INIZCTEOSA-N 2 0 278.444 2.517 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000111234591 186373378 /nfs/dbraw/zinc/37/33/78/186373378.db2.gz PTNJTBKGPPGNNE-LBPRGKRZSA-N 2 0 260.406 2.943 20 0 CFADRP CSC1(C[NH2+]CC2(C(C)C)CC2)CC[NH+](C)CC1 ZINC000602665379 350967505 /nfs/dbraw/zinc/96/75/05/350967505.db2.gz AVYTWAWKLMJSOZ-UHFFFAOYSA-N 2 0 270.486 2.840 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[NH+](C)CC1 ZINC000602667190 350968197 /nfs/dbraw/zinc/96/81/97/350968197.db2.gz MVQYCNYCKXPPRZ-KFWWJZLASA-N 2 0 282.497 2.840 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602736095 351008048 /nfs/dbraw/zinc/00/80/48/351008048.db2.gz WJYGBMYKTWCITA-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@H](C(=O)OC(C)(C)C)N(C)CCCC[NH+]1CCCCC1 ZINC000603113184 351106101 /nfs/dbraw/zinc/10/61/01/351106101.db2.gz ZBGZJVMILQTNTI-OAHLLOKOSA-N 2 0 298.471 2.915 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC000608563592 351450652 /nfs/dbraw/zinc/45/06/52/351450652.db2.gz LZDILAMYFCNVNG-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1c(C)nn(C)c1C ZINC000133836199 539818429 /nfs/dbraw/zinc/81/84/29/539818429.db2.gz UDVBZAABEYZKFS-BLLLJJGKSA-N 2 0 292.471 2.808 20 0 CFADRP CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000611367238 351675653 /nfs/dbraw/zinc/67/56/53/351675653.db2.gz WSKLHMKJJHARTG-CABCVRRESA-N 2 0 296.455 2.715 20 0 CFADRP CCC(O)(CC)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000121940273 187006522 /nfs/dbraw/zinc/00/65/22/187006522.db2.gz ZPZJBJTWOHYUDM-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccn1)c1cccc(CO)c1 ZINC000122146420 187017445 /nfs/dbraw/zinc/01/74/45/187017445.db2.gz PMNAPCYXMCNNSZ-AWEZNQCLSA-N 2 0 285.391 2.727 20 0 CFADRP Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000668817797 539824596 /nfs/dbraw/zinc/82/45/96/539824596.db2.gz AATPGJSBVMKSHP-INIZCTEOSA-N 2 0 274.408 2.604 20 0 CFADRP C[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)C[NH+](C)C ZINC000291771139 198086727 /nfs/dbraw/zinc/08/67/27/198086727.db2.gz SWRYBSISPMPDGH-ZYOFXKKJSA-N 2 0 268.351 2.765 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122613351 187041217 /nfs/dbraw/zinc/04/12/17/187041217.db2.gz DCCCBLGJJXYJAM-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(OC(F)F)cc1)C[NH+](C)C ZINC000291752499 198080422 /nfs/dbraw/zinc/08/04/22/198080422.db2.gz QHENEIUVAPZVSO-LLVKDONJSA-N 2 0 272.339 2.575 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000122790876 187051310 /nfs/dbraw/zinc/05/13/10/187051310.db2.gz ZJVLTNDJHRBJIP-ZMSDIMECSA-N 2 0 276.424 2.692 20 0 CFADRP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000124109559 187122787 /nfs/dbraw/zinc/12/27/87/187122787.db2.gz ZGPGGADEYUUTEU-HNNXBMFYSA-N 2 0 276.424 2.797 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000123487170 187095089 /nfs/dbraw/zinc/09/50/89/187095089.db2.gz BEMPDFVVCQWYNT-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c[nH]nc3c2)CC1 ZINC000123817209 187110070 /nfs/dbraw/zinc/11/00/70/187110070.db2.gz SGNLMJCAQPNDFM-UHFFFAOYSA-N 2 0 286.423 2.869 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000565827735 290328158 /nfs/dbraw/zinc/32/81/58/290328158.db2.gz FQMZTCHFNAHKCX-CQSZACIVSA-N 2 0 264.413 2.733 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCF ZINC000271475944 191160484 /nfs/dbraw/zinc/16/04/84/191160484.db2.gz HXTUWEBAAVWIHS-ZBFHGGJFSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271485410 191166982 /nfs/dbraw/zinc/16/69/82/191166982.db2.gz KXZOKCKOIHBJBS-UKRRQHHQSA-N 2 0 294.464 2.783 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271485408 191168010 /nfs/dbraw/zinc/16/80/10/191168010.db2.gz KXZOKCKOIHBJBS-HIFRSBDPSA-N 2 0 294.464 2.783 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271549504 191207457 /nfs/dbraw/zinc/20/74/57/191207457.db2.gz VKTVVJFDYBILRT-HIFRSBDPSA-N 2 0 294.464 2.783 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCSc3ccccc3)C2)C1 ZINC000292083456 198157304 /nfs/dbraw/zinc/15/73/04/198157304.db2.gz GAMAHCVRNLHFCG-INIZCTEOSA-N 2 0 276.449 2.806 20 0 CFADRP CCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422735849 282834094 /nfs/dbraw/zinc/83/40/94/282834094.db2.gz WUTPXIUMODVSAK-HOCLYGCPSA-N 2 0 260.381 2.632 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000292147968 198181730 /nfs/dbraw/zinc/18/17/30/198181730.db2.gz NFGINBAOFSFVMW-SFHVURJKSA-N 2 0 281.403 2.762 20 0 CFADRP CS[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1[NH+](C)C ZINC000271653322 191259786 /nfs/dbraw/zinc/25/97/86/191259786.db2.gz SLJJNSQRAHVGQI-CVEARBPZSA-N 2 0 287.432 2.717 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000227499208 539952646 /nfs/dbraw/zinc/95/26/46/539952646.db2.gz PKMLQRFKOHIWBH-BFHYXJOUSA-N 2 0 256.459 2.735 20 0 CFADRP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000152488300 188023420 /nfs/dbraw/zinc/02/34/20/188023420.db2.gz LQZXYKPGJNREHZ-HUUCEWRRSA-N 2 0 292.423 2.536 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423145290 295855249 /nfs/dbraw/zinc/85/52/49/295855249.db2.gz JYBUYINNPLEBMU-XHDPSFHLSA-N 2 0 250.361 2.920 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000152939414 188054193 /nfs/dbraw/zinc/05/41/93/188054193.db2.gz MPMGEJFIFNHJBM-HZPDHXFCSA-N 2 0 276.424 2.836 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000153744117 188101135 /nfs/dbraw/zinc/10/11/35/188101135.db2.gz PYFVSZDFCGGOMI-OAHLLOKOSA-N 2 0 294.464 2.781 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000153792621 188103256 /nfs/dbraw/zinc/10/32/56/188103256.db2.gz VFBSCMDTDVFYRY-HNNXBMFYSA-N 2 0 264.413 2.614 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000153781523 188103303 /nfs/dbraw/zinc/10/33/03/188103303.db2.gz RTUCSLTWTIWQRR-QGZVFWFLSA-N 2 0 276.424 2.622 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000155283717 188195926 /nfs/dbraw/zinc/19/59/26/188195926.db2.gz PSCBRNLAEKDIFB-XJKSGUPXSA-N 2 0 276.399 2.930 20 0 CFADRP c1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000156061310 188240520 /nfs/dbraw/zinc/24/05/20/188240520.db2.gz HNMQARULZNMXMS-UONOGXRCSA-N 2 0 250.411 2.507 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccncc1 ZINC000156420967 188261355 /nfs/dbraw/zinc/26/13/55/188261355.db2.gz NRKTUWXXKLROGL-AWEZNQCLSA-N 2 0 269.392 2.994 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccncc2)CC1 ZINC000156707684 188277045 /nfs/dbraw/zinc/27/70/45/188277045.db2.gz KGQSTKMVFNKOSW-CQSZACIVSA-N 2 0 261.413 2.854 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000621766650 353420970 /nfs/dbraw/zinc/42/09/70/353420970.db2.gz YGBMGQNQQMAQLV-DJIMGWMZSA-N 2 0 292.398 2.797 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000621776036 353422631 /nfs/dbraw/zinc/42/26/31/353422631.db2.gz AJUGPKRRTATSJR-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000621781634 353424160 /nfs/dbraw/zinc/42/41/60/353424160.db2.gz HBMXNFZSFLNEPK-RCBQFDQVSA-N 2 0 260.356 2.626 20 0 CFADRP CN(C)[C@@H](C[NH2+]CC1(C)CCC1)Cc1ccccc1 ZINC000434786649 540001848 /nfs/dbraw/zinc/00/18/48/540001848.db2.gz SULVJPHSYPMNKG-MRXNPFEDSA-N 2 0 260.425 2.939 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000292675868 198371825 /nfs/dbraw/zinc/37/18/25/198371825.db2.gz ZUFSWYHSHYDNNT-MRXNPFEDSA-N 2 0 272.436 2.949 20 0 CFADRP COc1ccccc1/C=C/CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292679916 198372883 /nfs/dbraw/zinc/37/28/83/198372883.db2.gz AONZIULVIUUVLJ-FZMUQLTDSA-N 2 0 286.419 2.736 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000235664343 540002413 /nfs/dbraw/zinc/00/24/13/540002413.db2.gz NBOMZFHDXRNRIB-WBVHZDCISA-N 2 0 293.499 2.594 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CC1(F)F ZINC000622043683 353468406 /nfs/dbraw/zinc/46/84/06/353468406.db2.gz HQRBMMLOOYRREP-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+]CCc1cncn1C ZINC000623086007 353585284 /nfs/dbraw/zinc/58/52/84/353585284.db2.gz RYXCZIUMQAFPIT-UHFFFAOYSA-N 2 0 293.798 2.805 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N(C)c1ccccc1 ZINC000623357590 353623832 /nfs/dbraw/zinc/62/38/32/353623832.db2.gz XDJFMKZCFOSANG-CVEARBPZSA-N 2 0 289.467 2.974 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623358665 353624843 /nfs/dbraw/zinc/62/48/43/353624843.db2.gz MBQTVXRFCLWJMI-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623375011 353629099 /nfs/dbraw/zinc/62/90/99/353629099.db2.gz YUTKVRPJEFSLHS-PMPSAXMXSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623374663 353629231 /nfs/dbraw/zinc/62/92/31/353629231.db2.gz KGNWMDGXVKSFCT-YVSFHVDLSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000566411869 290380051 /nfs/dbraw/zinc/38/00/51/290380051.db2.gz MHAIMVJLFNCGLC-LALPHHSUSA-N 2 0 250.361 2.741 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623383385 353631607 /nfs/dbraw/zinc/63/16/07/353631607.db2.gz RXVOMALWMGQXIY-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623403814 353636042 /nfs/dbraw/zinc/63/60/42/353636042.db2.gz IIYZLELDKUWCSD-AWEZNQCLSA-N 2 0 286.423 2.773 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C12CCC2 ZINC000623430200 353642658 /nfs/dbraw/zinc/64/26/58/353642658.db2.gz GCQHQJRQCSOCDP-SOUVJXGZSA-N 2 0 280.456 2.797 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000675746633 540006723 /nfs/dbraw/zinc/00/67/23/540006723.db2.gz OBKYFOGKMOJFFD-CVEARBPZSA-N 2 0 281.488 2.713 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623470583 353651343 /nfs/dbraw/zinc/65/13/43/353651343.db2.gz QZUHSIFXZHNJFI-UYSNPLJNSA-N 3 0 281.488 2.569 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000623338917 353617868 /nfs/dbraw/zinc/61/78/68/353617868.db2.gz AQQFABAKBKLBKT-HNNXBMFYSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccs2)CC1(C)C ZINC000623338771 353617888 /nfs/dbraw/zinc/61/78/88/353617888.db2.gz SXEZXXJGNCPQED-LBPRGKRZSA-N 2 0 252.427 2.753 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623347284 353620393 /nfs/dbraw/zinc/62/03/93/353620393.db2.gz WNSQRICGJCBDLG-GJZGRUSLSA-N 2 0 295.496 2.813 20 0 CFADRP c1[nH]nc2cccc(C[NH2+]C[C@H]3CCCCN3C3CC3)c12 ZINC000623507912 353659529 /nfs/dbraw/zinc/65/95/29/353659529.db2.gz AOBRFDBNKKNGHT-OAHLLOKOSA-N 2 0 284.407 2.669 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)CC1(C)C ZINC000623517058 353662150 /nfs/dbraw/zinc/66/21/50/353662150.db2.gz PMAPDSYSRINTQW-HNNXBMFYSA-N 2 0 286.423 2.568 20 0 CFADRP CCc1noc(C)c1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623532209 353664733 /nfs/dbraw/zinc/66/47/33/353664733.db2.gz HNZDMBMWRVHFFK-LBPRGKRZSA-N 2 0 265.401 2.508 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000324304381 540008071 /nfs/dbraw/zinc/00/80/71/540008071.db2.gz LJOUOKKZHFKMHC-MRXNPFEDSA-N 2 0 259.397 2.829 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCCC2)CC1(C)C ZINC000623552745 353670253 /nfs/dbraw/zinc/67/02/53/353670253.db2.gz UQFFOXLIXYEHHP-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2csc(C3CC3)n2)C1 ZINC000623655929 353696604 /nfs/dbraw/zinc/69/66/04/353696604.db2.gz IVSFXRHFQZHSHJ-GFCCVEGCSA-N 2 0 279.453 2.842 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)CC1(C)C ZINC000623564936 353673427 /nfs/dbraw/zinc/67/34/27/353673427.db2.gz XJCQCNDTPYTDRH-ZDUSSCGKSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCOC(C)(C)C)CC1(C)C ZINC000623564935 353673880 /nfs/dbraw/zinc/67/38/80/353673880.db2.gz XJCQCNDTPYTDRH-CYBMUJFWSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623570727 353674419 /nfs/dbraw/zinc/67/44/19/353674419.db2.gz BYOAUQPFVNDHTR-CVEARBPZSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)CC1(C)C ZINC000623570370 353674564 /nfs/dbraw/zinc/67/45/64/353674564.db2.gz QARGBLWAFRZGSO-HOTGVXAUSA-N 2 0 293.499 2.856 20 0 CFADRP COc1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1C ZINC000623575284 353676558 /nfs/dbraw/zinc/67/65/58/353676558.db2.gz TXEFQRDPLFZOHK-HNNXBMFYSA-N 2 0 276.424 2.966 20 0 CFADRP CCCn1nc(C)c(CNC[C@H]2CCCC[N@H+](C)C2)c1C ZINC000623656357 353696849 /nfs/dbraw/zinc/69/68/49/353696849.db2.gz SLQGAUPQXFCFPW-MRXNPFEDSA-N 2 0 292.471 2.731 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825944 282925080 /nfs/dbraw/zinc/92/50/80/282925080.db2.gz DJUZHPOCGAFYGS-LLVKDONJSA-N 2 0 272.314 2.795 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623654844 353695650 /nfs/dbraw/zinc/69/56/50/353695650.db2.gz KKXDSCSMWRVPDE-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623489778 353655861 /nfs/dbraw/zinc/65/58/61/353655861.db2.gz PKFGEYAHSINFBT-LSDHHAIUSA-N 2 0 294.439 2.690 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nccs1 ZINC000623491250 353656101 /nfs/dbraw/zinc/65/61/01/353656101.db2.gz LAGHHZQZKJOILC-VXGBXAGGSA-N 2 0 267.442 2.709 20 0 CFADRP COCc1csc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623657757 353698921 /nfs/dbraw/zinc/69/89/21/353698921.db2.gz YGMVVFOUIICUMV-ZDUSSCGKSA-N 2 0 282.453 2.716 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CS1 ZINC000623657753 353698985 /nfs/dbraw/zinc/69/89/85/353698985.db2.gz YADHBTMQGDUFNU-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000623807726 353728478 /nfs/dbraw/zinc/72/84/78/353728478.db2.gz QGJRFCAUBLXFRS-MWQQHZPXSA-N 2 0 274.408 2.589 20 0 CFADRP Cc1csc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)n1 ZINC000623887721 353749865 /nfs/dbraw/zinc/74/98/65/353749865.db2.gz LCHMLVTWLJOGCV-LBPRGKRZSA-N 2 0 267.442 2.834 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623887904 353749870 /nfs/dbraw/zinc/74/98/70/353749870.db2.gz QSAFSOXKNBXTDH-LBPRGKRZSA-N 2 0 267.442 2.834 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000623899624 353753417 /nfs/dbraw/zinc/75/34/17/353753417.db2.gz NXTJJKQRIWCPNG-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP c1nc2c(s1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000623971993 353772542 /nfs/dbraw/zinc/77/25/42/353772542.db2.gz NQODHOYODWRWMA-CQSZACIVSA-N 2 0 291.464 2.985 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCCO1 ZINC000623852879 353739969 /nfs/dbraw/zinc/73/99/69/353739969.db2.gz DPNMJNXJFSNACV-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000675766289 540009743 /nfs/dbraw/zinc/00/97/43/540009743.db2.gz IWKXFTVYIJIVHJ-BPQIPLTHSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000624100772 353805892 /nfs/dbraw/zinc/80/58/92/353805892.db2.gz DHAXVGJSFWPPAF-NXHRZFHOSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000624120175 353810605 /nfs/dbraw/zinc/81/06/05/353810605.db2.gz SYXMYAHSXDHLAC-KGLIPLIRSA-N 2 0 290.407 2.798 20 0 CFADRP COc1ccc([C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1O ZINC000624123015 353812183 /nfs/dbraw/zinc/81/21/83/353812183.db2.gz DCUAAYHVAONHLS-KBPBESRZSA-N 2 0 292.423 2.783 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000624123586 353812808 /nfs/dbraw/zinc/81/28/08/353812808.db2.gz OONNVIZRUJJJGE-NVXWUHKLSA-N 2 0 287.451 2.651 20 0 CFADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn[nH]c2)CC1 ZINC000624213901 353836887 /nfs/dbraw/zinc/83/68/87/353836887.db2.gz JFPHHWHEYMGZQH-UHFFFAOYSA-N 2 0 298.434 2.931 20 0 CFADRP FC(F)CN1CCC[C@@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000624520037 353896938 /nfs/dbraw/zinc/89/69/38/353896938.db2.gz XGOCPEQVIIHFKF-SNVBAGLBSA-N 2 0 280.322 2.704 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000624271815 353852707 /nfs/dbraw/zinc/85/27/07/353852707.db2.gz FPSZBKUKLSSZPB-SJORKVTESA-N 2 0 258.409 2.618 20 0 CFADRP FC(F)CN1CCC[C@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000624520036 353897054 /nfs/dbraw/zinc/89/70/54/353897054.db2.gz XGOCPEQVIIHFKF-JTQLQIEISA-N 2 0 280.322 2.704 20 0 CFADRP FC1(F)CCC[C@@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334995937 282945942 /nfs/dbraw/zinc/94/59/42/282945942.db2.gz HHXFZJWYPGJJQB-CYBMUJFWSA-N 2 0 272.383 2.887 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566482250 290393088 /nfs/dbraw/zinc/39/30/88/290393088.db2.gz LTNPGZZQTQNXDT-ZACQAIPSSA-N 3 0 281.488 2.747 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC000334348406 283001220 /nfs/dbraw/zinc/00/12/20/283001220.db2.gz SPUNTAWVXWWJMK-INIZCTEOSA-N 2 0 274.383 2.889 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000449344228 291026059 /nfs/dbraw/zinc/02/60/59/291026059.db2.gz QBJDPVNTLOTODE-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423257629 283020802 /nfs/dbraw/zinc/02/08/02/283020802.db2.gz KKDVNNWAEQODOG-BLLLJJGKSA-N 2 0 262.372 2.792 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000628175491 354459889 /nfs/dbraw/zinc/45/98/89/354459889.db2.gz ZCSNLBJTLDMSFG-SJORKVTESA-N 2 0 296.499 2.981 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC(F)(F)C1 ZINC000628204118 354475107 /nfs/dbraw/zinc/47/51/07/354475107.db2.gz LEEGZYVSDPTAAK-CYZMBNFOSA-N 2 0 258.356 2.637 20 0 CFADRP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628209240 354476752 /nfs/dbraw/zinc/47/67/52/354476752.db2.gz VRLJSKNYCGHIME-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628214369 354480981 /nfs/dbraw/zinc/48/09/81/354480981.db2.gz UOCOVFXLEIPRRJ-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000628233885 354492880 /nfs/dbraw/zinc/49/28/80/354492880.db2.gz ZTOHWZOHIQKMKB-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000628253382 354504961 /nfs/dbraw/zinc/50/49/61/354504961.db2.gz GDHFLHYXZWPJNL-YHUYYLMFSA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc4n[nH]cc43)C2)CC1 ZINC000628280151 354517265 /nfs/dbraw/zinc/51/72/65/354517265.db2.gz SDZPMFZACGKVSV-OAHLLOKOSA-N 2 0 298.434 2.727 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@]3(C)CCCS3)C2)C1 ZINC000628295178 354524969 /nfs/dbraw/zinc/52/49/69/354524969.db2.gz DRPVUZMOFPBMOB-CABCVRRESA-N 2 0 268.470 2.690 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658127 535265018 /nfs/dbraw/zinc/26/50/18/535265018.db2.gz JRJRDGMLJHJPCG-GDBMZVCRSA-N 2 0 273.380 2.628 20 0 CFADRP CCO[C@@H](C[N@H+](CCC[NH3+])Cc1ccccc1)C1CC1 ZINC000629529057 354832901 /nfs/dbraw/zinc/83/29/01/354832901.db2.gz QPICQYACGZXCQA-KRWDZBQOSA-N 2 0 276.424 2.653 20 0 CFADRP CCC[C@H](CCc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387759 354799117 /nfs/dbraw/zinc/79/91/17/354799117.db2.gz JYYCJGUJNQLPTH-QGZVFWFLSA-N 2 0 290.451 2.885 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000629389821 354800036 /nfs/dbraw/zinc/80/00/36/354800036.db2.gz AWDYMQYEKSBMJO-LAVFITLUSA-N 2 0 287.451 2.552 20 0 CFADRP C[NH2+]CCOCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000629392345 354801535 /nfs/dbraw/zinc/80/15/35/354801535.db2.gz LGJWSTTVMDOQRR-UHFFFAOYSA-N 2 0 276.424 2.538 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]CCOCCC[NH3+] ZINC000629399943 354803030 /nfs/dbraw/zinc/80/30/30/354803030.db2.gz MSENFYIESACRAQ-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCOCCC[NH3+])cc1 ZINC000629399423 354803394 /nfs/dbraw/zinc/80/33/94/354803394.db2.gz GIIFLAYJSMOLGD-DLBZAZTESA-N 2 0 276.424 2.586 20 0 CFADRP C[NH2+]CCOCC[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000629404850 354803964 /nfs/dbraw/zinc/80/39/64/354803964.db2.gz RJZODFYQEAZPIH-UHFFFAOYSA-N 2 0 290.451 2.713 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000629408363 354805377 /nfs/dbraw/zinc/80/53/77/354805377.db2.gz UIELOWMHAILSEZ-QMCVQRASSA-N 2 0 258.409 2.738 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cc2c1 ZINC000629530956 354833850 /nfs/dbraw/zinc/83/38/50/354833850.db2.gz VZQUAEVAKHORGD-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CC(C)C ZINC000629509966 354823898 /nfs/dbraw/zinc/82/38/98/354823898.db2.gz DJIPTRVVCHLEAS-KRWDZBQOSA-N 2 0 278.440 2.729 20 0 CFADRP C[NH2+]CCOCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000629530851 354834009 /nfs/dbraw/zinc/83/40/09/354834009.db2.gz STYZALLITUCUQO-UHFFFAOYSA-N 2 0 268.445 2.705 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000629516597 354825825 /nfs/dbraw/zinc/82/58/25/354825825.db2.gz LLDLUAIZCHEUDD-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629515864 354825885 /nfs/dbraw/zinc/82/58/85/354825885.db2.gz XRWXWMXPHFSXJN-ZZTPXLKCSA-N 2 0 288.435 2.521 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000629532015 354834081 /nfs/dbraw/zinc/83/40/81/354834081.db2.gz IMLCMHURQRCWJO-BRWVUGGUSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000629521932 354827601 /nfs/dbraw/zinc/82/76/01/354827601.db2.gz YOUCNVPUIPPHAH-OCCSQVGLSA-N 2 0 261.413 2.683 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C2CC2)c1 ZINC000629520578 354827613 /nfs/dbraw/zinc/82/76/13/354827613.db2.gz LONQUXVCJFLXCT-CYBMUJFWSA-N 2 0 274.408 2.723 20 0 CFADRP CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CCCCC1 ZINC000629521350 354827921 /nfs/dbraw/zinc/82/79/21/354827921.db2.gz NCOGOEXOOGHBSZ-HNNXBMFYSA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629522646 354828920 /nfs/dbraw/zinc/82/89/20/354828920.db2.gz FTURIYJDSCKPHC-WQVCFCJDSA-N 2 0 262.397 2.518 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000629525767 354829438 /nfs/dbraw/zinc/82/94/38/354829438.db2.gz BGJLOHHVFSCGSW-GVDBMIGSSA-N 2 0 258.409 2.738 20 0 CFADRP C[NH2+]CCOCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000629530182 354832851 /nfs/dbraw/zinc/83/28/51/354832851.db2.gz XSFDCCZXZPWPEY-UHFFFAOYSA-N 2 0 282.387 2.582 20 0 CFADRP Cc1cnccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000629648529 354875734 /nfs/dbraw/zinc/87/57/34/354875734.db2.gz QFOZJAZZGVMEMS-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP COCc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000629650340 354876626 /nfs/dbraw/zinc/87/66/26/354876626.db2.gz RXPCVOGSDOJTTD-HNNXBMFYSA-N 2 0 292.423 2.638 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629652305 354877377 /nfs/dbraw/zinc/87/73/77/354877377.db2.gz ZITRQWCISQRTPW-BBRMVZONSA-N 2 0 272.392 2.522 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])C1 ZINC000629535646 354835537 /nfs/dbraw/zinc/83/55/37/354835537.db2.gz CZDKHXMHDBKIBL-HUUCEWRRSA-N 2 0 256.434 2.546 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000629536889 354835632 /nfs/dbraw/zinc/83/56/32/354835632.db2.gz JHZCVOCCTOCBBJ-JYJNAYRXSA-N 2 0 280.456 2.641 20 0 CFADRP CCCc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629536484 354835713 /nfs/dbraw/zinc/83/57/13/354835713.db2.gz GRKROPRFGNXREW-CQSZACIVSA-N 2 0 264.413 2.655 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629537592 354836645 /nfs/dbraw/zinc/83/66/45/354836645.db2.gz KGIRTHGQQVXGDU-IRXDYDNUSA-N 2 0 276.424 2.826 20 0 CFADRP CC[C@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1 ZINC000629538461 354836744 /nfs/dbraw/zinc/83/67/44/354836744.db2.gz JWBGEMWLLJILFS-AWEZNQCLSA-N 2 0 270.804 2.746 20 0 CFADRP CCSc1ccccc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629537432 354836880 /nfs/dbraw/zinc/83/68/80/354836880.db2.gz JKUGCSONNQINIW-ZDUSSCGKSA-N 2 0 282.453 2.815 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629539133 354837671 /nfs/dbraw/zinc/83/76/71/354837671.db2.gz QTEXIGGQXZJEBB-MBMVNNNZSA-N 2 0 273.424 2.936 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)CN1 ZINC000629542407 354839611 /nfs/dbraw/zinc/83/96/11/354839611.db2.gz ZBCCKBALGZPSCL-BOLLXYOYSA-N 2 0 280.456 2.987 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)CN1 ZINC000629542409 354839807 /nfs/dbraw/zinc/83/98/07/354839807.db2.gz ZBCCKBALGZPSCL-HCEZTOJASA-N 2 0 280.456 2.987 20 0 CFADRP CC(C)C[C@H]([NH2+]CCOCCC[NH3+])c1ccccc1 ZINC000629542164 354839816 /nfs/dbraw/zinc/83/98/16/354839816.db2.gz WHFCZJYVJKZRDG-INIZCTEOSA-N 2 0 264.413 2.729 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000629543477 354840863 /nfs/dbraw/zinc/84/08/63/354840863.db2.gz CHOKSNPBCWMSHB-IACUBPJLSA-N 2 0 297.805 2.527 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545196 354841552 /nfs/dbraw/zinc/84/15/52/354841552.db2.gz ATABROLGTOJYMZ-APHBMKBZSA-N 2 0 264.388 2.733 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2c1cccc2Cl)C1C[NH2+]C1 ZINC000629556742 354847115 /nfs/dbraw/zinc/84/71/15/354847115.db2.gz XJYURDVRWXHUMF-SNVBAGLBSA-N 2 0 277.799 2.561 20 0 CFADRP Cc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565109 354848350 /nfs/dbraw/zinc/84/83/50/354848350.db2.gz JIBRGUWZUKTFPP-UONOGXRCSA-N 2 0 286.341 2.954 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)CCC1CCCCCC1 ZINC000629570694 354849313 /nfs/dbraw/zinc/84/93/13/354849313.db2.gz BCBQLZJUYLHVND-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000629570794 354849412 /nfs/dbraw/zinc/84/94/12/354849412.db2.gz DDHLHGNKIXSHQV-UHFFFAOYSA-N 2 0 278.440 2.652 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cccc(CO)c3)c2)CC1 ZINC000629696188 354897583 /nfs/dbraw/zinc/89/75/83/354897583.db2.gz UVRFKEXNQWXCHS-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP C[NH2+]CCn1cc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)cn1 ZINC000629701310 354900198 /nfs/dbraw/zinc/90/01/98/354900198.db2.gz AMZQFDHJSRSZFX-OAHLLOKOSA-N 2 0 298.434 2.754 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2ccc(CC[NH3+])cc2)c1 ZINC000629701287 354900490 /nfs/dbraw/zinc/90/04/90/354900490.db2.gz UIJASEQURHYNIO-UHFFFAOYSA-N 2 0 284.403 2.795 20 0 CFADRP [NH3+]CC1(c2ccc(C3=CC[NH2+]CC3)cc2)CCCC1 ZINC000629724080 354908622 /nfs/dbraw/zinc/90/86/22/354908622.db2.gz VQILHECWQWCDKB-UHFFFAOYSA-N 2 0 256.393 2.834 20 0 CFADRP CC(C)(C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629661481 354882042 /nfs/dbraw/zinc/88/20/42/354882042.db2.gz ARKYHBCMUCYNNC-HDICACEKSA-N 2 0 272.436 2.896 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629662869 354882731 /nfs/dbraw/zinc/88/27/31/354882731.db2.gz DRLFIIVTNQOUOS-NXHRZFHOSA-N 2 0 272.436 2.797 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000222930431 540123622 /nfs/dbraw/zinc/12/36/22/540123622.db2.gz VVFGQMDNJQEIHS-WCQGTBRESA-N 2 0 254.324 2.885 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000631037334 355259048 /nfs/dbraw/zinc/25/90/48/355259048.db2.gz QMBRSCBZRMRUDK-UHFFFAOYSA-N 2 0 299.418 2.919 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cncc(OC)c2C)CC1 ZINC000631065799 355272220 /nfs/dbraw/zinc/27/22/20/355272220.db2.gz UBWGUUXGVKHHCM-UHFFFAOYSA-N 2 0 291.439 2.610 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000271897533 191396988 /nfs/dbraw/zinc/39/69/88/191396988.db2.gz USUHRGDLAFVIDA-LLVKDONJSA-N 2 0 266.335 2.877 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109392 355295763 /nfs/dbraw/zinc/29/57/63/355295763.db2.gz DWDXXEIIWNRRAJ-UKRRQHHQSA-N 2 0 289.423 2.530 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(F)c1 ZINC000631158596 355320616 /nfs/dbraw/zinc/32/06/16/355320616.db2.gz XYWPQZPSGOBUAQ-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667961855 540134801 /nfs/dbraw/zinc/13/48/01/540134801.db2.gz ZJVINFPUXABBAC-OWIUFQIYSA-N 2 0 292.467 2.797 20 0 CFADRP C1CC([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]2CCCO2)C1 ZINC000631254174 355375839 /nfs/dbraw/zinc/37/58/39/355375839.db2.gz KFECRDLKWQNSDU-QZWWFDLISA-N 2 0 278.440 2.551 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631260927 355379878 /nfs/dbraw/zinc/37/98/78/355379878.db2.gz SIXFHTFDPQGNKZ-CHWSQXEVSA-N 2 0 296.296 2.616 20 0 CFADRP C[C@H]([NH2+][C@H](CO)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000669430041 540149954 /nfs/dbraw/zinc/14/99/54/540149954.db2.gz KRWNPPBGOPEVEL-YOEHRIQHSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1c[nH+]ccc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000631445116 355439708 /nfs/dbraw/zinc/43/97/08/355439708.db2.gz PQPPKDZSEKJLRX-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000631568329 355490878 /nfs/dbraw/zinc/49/08/78/355490878.db2.gz ALZHCGYBSYEUEQ-BZSNNMDCSA-N 2 0 286.419 2.899 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)ccc32)C1 ZINC000631568678 355491451 /nfs/dbraw/zinc/49/14/51/355491451.db2.gz CLXSPZGFAUKBJM-SUMWQHHRSA-N 2 0 274.408 2.614 20 0 CFADRP C1CCC2(C1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@@H]12 ZINC000631569970 355492258 /nfs/dbraw/zinc/49/22/58/355492258.db2.gz OFWPLUCRMIPAEY-NNXHMXCWSA-N 2 0 290.451 2.551 20 0 CFADRP C[C@@H](Nc1ccnc(C(C)(C)C)n1)C1=CC[N@H+](C)CC1 ZINC000679707061 540160288 /nfs/dbraw/zinc/16/02/88/540160288.db2.gz AAMHRKRUMGCBRU-GFCCVEGCSA-N 2 0 274.412 2.836 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631666273 355538048 /nfs/dbraw/zinc/53/80/48/355538048.db2.gz DPKNZKLHYWODCN-BQFCYCMXSA-N 2 0 290.451 2.769 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000631606464 355513039 /nfs/dbraw/zinc/51/30/39/355513039.db2.gz JLNWKESEIGGDJJ-QGZVFWFLSA-N 2 0 272.392 2.534 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631636285 355525395 /nfs/dbraw/zinc/52/53/95/355525395.db2.gz BNSVJMDXWSRIJW-QAETUUGQSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887080 355614933 /nfs/dbraw/zinc/61/49/33/355614933.db2.gz LZZGAWRBZBJBQK-RDJZCZTQSA-N 2 0 258.409 2.877 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000631821738 355595560 /nfs/dbraw/zinc/59/55/60/355595560.db2.gz HRGKHVBOUVIWOC-UHFFFAOYSA-N 2 0 275.440 2.828 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(C)n1 ZINC000631826114 355597199 /nfs/dbraw/zinc/59/71/99/355597199.db2.gz FITINHQYIUBFIZ-UHFFFAOYSA-N 2 0 273.424 2.582 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000631827645 355597683 /nfs/dbraw/zinc/59/76/83/355597683.db2.gz SGPCQFYIEKGCOB-MELADBBJSA-N 2 0 272.383 2.886 20 0 CFADRP [NH3+][C@@H]1CCCCC[N@H+](CCCOCc2ccccc2)C1 ZINC000631835200 355599044 /nfs/dbraw/zinc/59/90/44/355599044.db2.gz ONVHHXWQAARJRT-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)C[C@H]1C[NH3+] ZINC000631838012 355601888 /nfs/dbraw/zinc/60/18/88/355601888.db2.gz YNQUYYZYXLOQFB-VNQPRFMTSA-N 2 0 258.409 2.633 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000631872740 355610465 /nfs/dbraw/zinc/61/04/65/355610465.db2.gz FGRIJXHRJDWGRO-ZBFHGGJFSA-N 2 0 250.430 2.888 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888694 355614039 /nfs/dbraw/zinc/61/40/39/355614039.db2.gz YZSXNEZABTYXKK-FUHWJXTLSA-N 2 0 288.435 2.702 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887370 355614878 /nfs/dbraw/zinc/61/48/78/355614878.db2.gz QYFNHQKAAFXKIN-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2scnc2C2CC2)C1 ZINC000334399607 540190965 /nfs/dbraw/zinc/19/09/65/540190965.db2.gz DLEJWZQRSUNRAU-UONOGXRCSA-N 2 0 291.464 2.937 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000334672850 540193894 /nfs/dbraw/zinc/19/38/94/540193894.db2.gz PWXWAWKPEVJIGL-QGZVFWFLSA-N 2 0 273.424 2.554 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)CC[NH+](C)C)cc1F ZINC000273685223 192262046 /nfs/dbraw/zinc/26/20/46/192262046.db2.gz HNWFBQNBQKTNHO-ZIAGYGMSSA-N 2 0 296.430 2.943 20 0 CFADRP c1coc(-c2cc(CN3CC[C@]4(C3)CCC[NH2+]C4)no2)c1 ZINC000334246743 540242997 /nfs/dbraw/zinc/24/29/97/540242997.db2.gz UXEMZIOMCKKJEA-MRXNPFEDSA-N 2 0 287.363 2.510 20 0 CFADRP CCSCC[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000273814816 192317744 /nfs/dbraw/zinc/31/77/44/192317744.db2.gz XAVGYZJGBOZMOC-UHFFFAOYSA-N 2 0 266.454 2.981 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353484199 283186813 /nfs/dbraw/zinc/18/68/13/283186813.db2.gz IXLSSVVVCIZLSW-YLFCFFPRSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C2CCCCC2)CC[N@@H+]1C ZINC000373905313 297284514 /nfs/dbraw/zinc/28/45/14/297284514.db2.gz PUCZEONGACCAKY-SOLBZPMBSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000567870985 290501547 /nfs/dbraw/zinc/50/15/47/290501547.db2.gz DCVUGIFPLNFCCC-CABCVRRESA-N 2 0 264.413 2.951 20 0 CFADRP COc1ccccc1/C=C/C[NH+]1CCC(CC[NH3+])CC1 ZINC000568007419 290514342 /nfs/dbraw/zinc/51/43/42/290514342.db2.gz LBTNAEVBICMFOU-GQCTYLIASA-N 2 0 274.408 2.769 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CN1C1CC1 ZINC000423512530 297285672 /nfs/dbraw/zinc/28/56/72/297285672.db2.gz UWPPXUJUQOAPOS-KYJSFNMBSA-N 2 0 287.451 2.681 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336237413 540285715 /nfs/dbraw/zinc/28/57/15/540285715.db2.gz CKSLRAYQVOHGGR-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP Fc1cccc(F)c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339073104 540282090 /nfs/dbraw/zinc/28/20/90/540282090.db2.gz ADSPPWCSINTBJS-STQMWFEESA-N 2 0 280.362 2.724 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067529 540282893 /nfs/dbraw/zinc/28/28/93/540282893.db2.gz AJWAQUAFZNAPEC-NXHRZFHOSA-N 2 0 299.462 2.654 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339067703 540283127 /nfs/dbraw/zinc/28/31/27/540283127.db2.gz KTKUKJFDOXKEBP-MSOLQXFVSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339070115 540284091 /nfs/dbraw/zinc/28/40/91/540284091.db2.gz WRRWOMURTXFWPI-FGTMMUONSA-N 3 0 293.499 2.857 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339068737 540284114 /nfs/dbraw/zinc/28/41/14/540284114.db2.gz MPXKRCXRAPOHDO-IXDOHACOSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)CC1 ZINC000233914762 540305546 /nfs/dbraw/zinc/30/55/46/540305546.db2.gz RSIFUUNBWIGGDF-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000294514825 199069155 /nfs/dbraw/zinc/06/91/55/199069155.db2.gz DTPXHBLXVUACIL-UHFFFAOYSA-N 2 0 294.464 2.601 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(C)c1 ZINC000643467602 540375349 /nfs/dbraw/zinc/37/53/49/540375349.db2.gz ZZMXFGNVZPKNKD-HOTGVXAUSA-N 2 0 262.397 2.753 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000200369160 540381461 /nfs/dbraw/zinc/38/14/61/540381461.db2.gz JKSALRLZBUHALS-INIZCTEOSA-N 2 0 267.376 2.708 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000228181058 540385050 /nfs/dbraw/zinc/38/50/50/540385050.db2.gz CKWDUQBVSOTQGP-HZPDHXFCSA-N 2 0 276.424 2.884 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(Cc2cccc(O)c2Cl)CC1 ZINC000294689855 199135534 /nfs/dbraw/zinc/13/55/34/199135534.db2.gz NMVNIIKSGJHZQN-CYBMUJFWSA-N 2 0 282.815 2.962 20 0 CFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]CC1(C)CCC1 ZINC000342414762 540387347 /nfs/dbraw/zinc/38/73/47/540387347.db2.gz CWBFTZFOOPNUKD-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP Cc1sccc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000294705818 199143732 /nfs/dbraw/zinc/14/37/32/199143732.db2.gz OKDKPFXZFUSOJM-CQSZACIVSA-N 2 0 252.427 2.973 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000294732359 199156742 /nfs/dbraw/zinc/15/67/42/199156742.db2.gz DLFINODWFGQSLF-LNRIEFBSSA-N 2 0 288.435 2.841 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCCCC1 ZINC000423179907 283407161 /nfs/dbraw/zinc/40/71/61/283407161.db2.gz MYAVLSUROPGXTG-HRCADAONSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000236205997 283412931 /nfs/dbraw/zinc/41/29/31/283412931.db2.gz IYFWQMIMRFVGSL-SEEARECTSA-N 2 0 260.381 2.629 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093216000 540426372 /nfs/dbraw/zinc/42/63/72/540426372.db2.gz NCBDDDQWEPQLPF-BYCMXARLSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000093216010 540426511 /nfs/dbraw/zinc/42/65/11/540426511.db2.gz NCBDDDQWEPQLPF-UGFHNGPFSA-N 2 0 250.361 2.616 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623451864 540432151 /nfs/dbraw/zinc/43/21/51/540432151.db2.gz NVWDOBOLDJMDGU-HNNXBMFYSA-N 2 0 276.424 2.966 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000094294130 540446706 /nfs/dbraw/zinc/44/67/06/540446706.db2.gz DTCZMZVMRDTBQL-UHFFFAOYSA-N 2 0 289.423 2.738 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000422928453 540444294 /nfs/dbraw/zinc/44/42/94/540444294.db2.gz KQBFPKWVNCYIQV-CYBMUJFWSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014493 540479202 /nfs/dbraw/zinc/47/92/02/540479202.db2.gz JIYLDCGDBUTHIG-NWDGAFQWSA-N 2 0 252.789 2.942 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc3c2NCC3)CC1 ZINC000422552645 237101229 /nfs/dbraw/zinc/10/12/29/237101229.db2.gz HYCAFZJLBUGCLH-UHFFFAOYSA-N 2 0 273.424 2.617 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2scnc2C2CC2)C[C@H]1C[NH3+] ZINC000422564425 237106421 /nfs/dbraw/zinc/10/64/21/237106421.db2.gz VZRBOGHUPFDASU-NQBHXWOUSA-N 2 0 279.453 2.826 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694468 237119078 /nfs/dbraw/zinc/11/90/78/237119078.db2.gz OEBPVSOHGVUHNJ-IAQYHMDHSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422729184 237146135 /nfs/dbraw/zinc/14/61/35/237146135.db2.gz BLCJDVOWCAAOJO-KEYYUXOJSA-N 2 0 290.455 2.655 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422736638 237148583 /nfs/dbraw/zinc/14/85/83/237148583.db2.gz YMJWZZXCOGLKQT-QZTJIDSGSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000422738816 237150437 /nfs/dbraw/zinc/15/04/37/237150437.db2.gz JZUJRHFPTULLDL-QWHCGFSZSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703120 237121625 /nfs/dbraw/zinc/12/16/25/237121625.db2.gz MCJHPANQHBHWOY-CGTJXYLNSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1ccc(F)cc1 ZINC000422709976 237127228 /nfs/dbraw/zinc/12/72/28/237127228.db2.gz KNVKCSVTYWJIQD-RYUDHWBXSA-N 2 0 252.377 2.819 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000042318710 540524059 /nfs/dbraw/zinc/52/40/59/540524059.db2.gz GEAZGWMUKIMFQW-UHFFFAOYSA-N 2 0 268.445 2.536 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000422741935 237156865 /nfs/dbraw/zinc/15/68/65/237156865.db2.gz FRYCSMNFAJHUPY-JCYILVPMSA-N 2 0 287.451 2.763 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000669699573 540515631 /nfs/dbraw/zinc/51/56/31/540515631.db2.gz YIZZBTJWNCOWIL-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422769582 237186366 /nfs/dbraw/zinc/18/63/66/237186366.db2.gz VJQIRBPQYAYUAC-KGLIPLIRSA-N 2 0 268.401 2.777 20 0 CFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC000296912384 200032307 /nfs/dbraw/zinc/03/23/07/200032307.db2.gz RKKTTZTURFDFRC-CYBMUJFWSA-N 2 0 282.453 2.647 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000422772904 237189668 /nfs/dbraw/zinc/18/96/68/237189668.db2.gz ZGOBFTHQZDZLTD-CQDKDKBSSA-N 2 0 290.432 2.743 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(F)c2)CC[C@H]1[NH3+] ZINC000251558895 540539779 /nfs/dbraw/zinc/53/97/79/540539779.db2.gz BKKDKLCKPOOPQW-YWPYICTPSA-N 2 0 250.361 2.946 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422773487 237190660 /nfs/dbraw/zinc/19/06/60/237190660.db2.gz UEZQAWXEOFJKDV-KBPBESRZSA-N 2 0 250.411 2.557 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422748715 237161761 /nfs/dbraw/zinc/16/17/61/237161761.db2.gz VUBUCWQICUDLAE-IAGOWNOFSA-N 3 0 284.407 2.622 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000422750148 237162346 /nfs/dbraw/zinc/16/23/46/237162346.db2.gz ACMUWUSCYMCUQV-LSDHHAIUSA-N 2 0 257.381 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCSCc1ccccc1F ZINC000422773461 237191484 /nfs/dbraw/zinc/19/14/84/237191484.db2.gz UBFDFHRSEPKCGT-WFASDCNBSA-N 2 0 282.428 2.776 20 0 CFADRP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422751146 237164790 /nfs/dbraw/zinc/16/47/90/237164790.db2.gz FFJNYEOHUQFVKY-NUEKZKHPSA-N 2 0 292.398 2.715 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422754148 237168265 /nfs/dbraw/zinc/16/82/65/237168265.db2.gz AEUDCOQBVFDTND-XJKSGUPXSA-N 2 0 276.399 2.964 20 0 CFADRP C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000422759149 237171284 /nfs/dbraw/zinc/17/12/84/237171284.db2.gz FMXKSVMACQIJEZ-NSHDSACASA-N 2 0 264.800 2.569 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422757288 237171541 /nfs/dbraw/zinc/17/15/41/237171541.db2.gz IPXRJDDQURZWAK-LBPRGKRZSA-N 2 0 252.377 2.820 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000422757891 237172750 /nfs/dbraw/zinc/17/27/50/237172750.db2.gz NHSQKUHCBKQTTE-CMPLNLGQSA-N 2 0 288.794 2.884 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCSCc1ccccc1F ZINC000422760714 237176098 /nfs/dbraw/zinc/17/60/98/237176098.db2.gz HAHZJGXQXUXISB-NWDGAFQWSA-N 2 0 270.417 2.774 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])Oc1ccccc1F ZINC000422796199 237217971 /nfs/dbraw/zinc/21/79/71/237217971.db2.gz XRXHXLKYUUMNBW-NFAWXSAZSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCC1CCCC1 ZINC000422794841 237219065 /nfs/dbraw/zinc/21/90/65/237219065.db2.gz GZKGYPKIBYGSBP-NUEKZKHPSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422796578 237221024 /nfs/dbraw/zinc/22/10/24/237221024.db2.gz YOEGCQPIGLEXBQ-BFYDXBDKSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251835760 540552773 /nfs/dbraw/zinc/55/27/73/540552773.db2.gz QIJLHIIDKNLVIB-GDBMZVCRSA-N 2 0 262.397 2.515 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000422774919 237192424 /nfs/dbraw/zinc/19/24/24/237192424.db2.gz YXYHHFKRKPGOJJ-UONOGXRCSA-N 2 0 264.800 2.841 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Oc1ccc(F)cc1 ZINC000422780723 237198397 /nfs/dbraw/zinc/19/83/97/237198397.db2.gz DFZZZUPPWVLOTC-WWGRRREGSA-N 2 0 280.387 2.700 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779732 237198444 /nfs/dbraw/zinc/19/84/44/237198444.db2.gz ITXHOVJZKTYPFG-XJKSGUPXSA-N 2 0 271.408 2.749 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422782253 237202993 /nfs/dbraw/zinc/20/29/93/237202993.db2.gz GDKZPANCVHQCLD-ZIAGYGMSSA-N 2 0 280.412 2.570 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000422785658 237205293 /nfs/dbraw/zinc/20/52/93/237205293.db2.gz NQINKGPZUDAYBX-FZMZJTMJSA-N 2 0 270.804 2.745 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422791086 237211233 /nfs/dbraw/zinc/21/12/33/237211233.db2.gz YDRVUKMFZZJYKK-TZMCWYRMSA-N 2 0 252.789 2.600 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Oc1cccc(F)c1 ZINC000422791106 237211872 /nfs/dbraw/zinc/21/18/72/237211872.db2.gz PXHPMYZYWIKQDC-KCXAZCMYSA-N 2 0 280.387 2.843 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422789641 237212468 /nfs/dbraw/zinc/21/24/68/237212468.db2.gz OQUUCVDKFASSFY-RBSFLKMASA-N 2 0 292.423 2.712 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422792830 237216063 /nfs/dbraw/zinc/21/60/63/237216063.db2.gz ZOZITBHLQRYEEK-STQMWFEESA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)C1C[NH2+]C1 ZINC000422793643 237216202 /nfs/dbraw/zinc/21/62/02/237216202.db2.gz XGDPYVMDNAXBNN-GFCCVEGCSA-N 2 0 287.432 2.550 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422793269 237216665 /nfs/dbraw/zinc/21/66/65/237216665.db2.gz WWYISKNERHFKJO-VFSICIBPSA-N 2 0 294.826 2.900 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422818934 237247010 /nfs/dbraw/zinc/24/70/10/237247010.db2.gz LRAJKQZPHKKPST-AEFFLSMTSA-N 2 0 298.434 2.522 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCC[C@@H]1O ZINC000422822431 237252627 /nfs/dbraw/zinc/25/26/27/237252627.db2.gz JZEVJNOSTGCXON-MDMSPXHWSA-N 2 0 294.483 2.828 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422829337 237257286 /nfs/dbraw/zinc/25/72/86/237257286.db2.gz HHRKQZWJUICYEC-ROUUACIJSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422836865 237261248 /nfs/dbraw/zinc/26/12/48/237261248.db2.gz KSGHTBKHRGJIQS-JGGQBBKZSA-N 2 0 293.842 2.636 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000422805536 237231545 /nfs/dbraw/zinc/23/15/45/237231545.db2.gz JJBNSAFNGMWFIG-GOEBONIOSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000422805537 237231687 /nfs/dbraw/zinc/23/16/87/237231687.db2.gz JJBNSAFNGMWFIG-HOCLYGCPSA-N 2 0 284.407 2.665 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252835569 540568486 /nfs/dbraw/zinc/56/84/86/540568486.db2.gz VCDHZOBSKGMIRG-LSDHHAIUSA-N 2 0 274.408 2.614 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)CC[C@@H]1[NH3+] ZINC000252834499 540568527 /nfs/dbraw/zinc/56/85/27/540568527.db2.gz RHZBVYLFBFMMBR-FMKPAKJESA-N 2 0 274.408 2.612 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCCC1CCCCC1 ZINC000422853980 237276878 /nfs/dbraw/zinc/27/68/78/237276878.db2.gz ZTEAQLNQYVMNEQ-HNNXBMFYSA-N 2 0 256.434 2.690 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422862240 237281833 /nfs/dbraw/zinc/28/18/33/237281833.db2.gz PMHBZIAKKMMCLH-MAUKXSAKSA-N 2 0 298.434 2.522 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422861788 237282142 /nfs/dbraw/zinc/28/21/42/237282142.db2.gz OZKFQHSMFCHVFE-OAHLLOKOSA-N 2 0 264.413 2.871 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000422863576 237282472 /nfs/dbraw/zinc/28/24/72/237282472.db2.gz SASCOODHKBWDHF-NWDGAFQWSA-N 2 0 299.484 2.845 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422861786 237282821 /nfs/dbraw/zinc/28/28/21/237282821.db2.gz OZKFQHSMFCHVFE-HNNXBMFYSA-N 2 0 264.413 2.871 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422866869 237284444 /nfs/dbraw/zinc/28/44/44/237284444.db2.gz RIOJSNIPTHEEGX-LRDDRELGSA-N 2 0 264.388 2.654 20 0 CFADRP CCCn1c(C[NH2+][C@H]2CC23CC[NH2+]CC3)nc2ccccc21 ZINC000666952038 540596039 /nfs/dbraw/zinc/59/60/39/540596039.db2.gz COKQNEXERYTTFE-INIZCTEOSA-N 2 0 298.434 2.678 20 0 CFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952384 540596397 /nfs/dbraw/zinc/59/63/97/540596397.db2.gz USRNPJILBUNVGQ-OAHLLOKOSA-N 2 0 256.349 2.665 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cc2s1 ZINC000666953744 540596583 /nfs/dbraw/zinc/59/65/83/540596583.db2.gz GPVXTLBZZDWPCE-OAHLLOKOSA-N 2 0 287.432 2.836 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422872081 237291977 /nfs/dbraw/zinc/29/19/77/237291977.db2.gz FPJBEJOGBOCOIX-AAEUAGOBSA-N 2 0 284.350 2.813 20 0 CFADRP COCc1cccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422874002 237292068 /nfs/dbraw/zinc/29/20/68/237292068.db2.gz BTHHNZFXYUWBII-ZDUSSCGKSA-N 2 0 299.418 2.846 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422875150 237295820 /nfs/dbraw/zinc/29/58/20/237295820.db2.gz OKQXBROQJDLDBC-QWRGUYRKSA-N 2 0 272.339 2.812 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)c[nH]c2c1 ZINC000422842399 237268989 /nfs/dbraw/zinc/26/89/89/237268989.db2.gz FTGHNNDIMKYPFY-YOEHRIQHSA-N 2 0 285.435 2.997 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000422843500 237269413 /nfs/dbraw/zinc/26/94/13/237269413.db2.gz INLVBWSMJUFJLS-GJZGRUSLSA-N 2 0 268.351 2.757 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])c[nH]c2c1 ZINC000422850561 237272551 /nfs/dbraw/zinc/27/25/51/237272551.db2.gz WCFUPPNMNSLANI-BBRMVZONSA-N 2 0 271.408 2.736 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422884227 237306091 /nfs/dbraw/zinc/30/60/91/237306091.db2.gz DOLJYNNKKLTZSO-ZOBUZTSGSA-N 2 0 260.425 2.965 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422883779 237306677 /nfs/dbraw/zinc/30/66/77/237306677.db2.gz RBQKBFNVFJWQTN-IXDOHACOSA-N 3 0 281.488 2.606 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422889547 237308104 /nfs/dbraw/zinc/30/81/04/237308104.db2.gz PUNGDPSOOZAVAR-GOEBONIOSA-N 2 0 257.381 2.570 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000666998485 540606040 /nfs/dbraw/zinc/60/60/40/540606040.db2.gz WMKUBGWACUNAKR-CQSZACIVSA-N 2 0 262.372 2.898 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893696 237314709 /nfs/dbraw/zinc/31/47/09/237314709.db2.gz QZVOLCKVGALOQW-QWHCGFSZSA-N 2 0 288.313 2.597 20 0 CFADRP C[C@H](CCCCO)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000679330375 540609585 /nfs/dbraw/zinc/60/95/85/540609585.db2.gz IITBVALUYZJLTH-MRXNPFEDSA-N 2 0 290.451 2.923 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422900125 237322368 /nfs/dbraw/zinc/32/23/68/237322368.db2.gz PXOHXHUHPISBNO-NVXWUHKLSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422903071 237322542 /nfs/dbraw/zinc/32/25/42/237322542.db2.gz NZALGYODMTWPJX-BPKGMFCQSA-N 2 0 280.456 2.844 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC1CCC1 ZINC000422909399 237333492 /nfs/dbraw/zinc/33/34/92/237333492.db2.gz FUPHUTVWEVDCSP-CJNGLKHVSA-N 2 0 274.408 2.835 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422913254 237335088 /nfs/dbraw/zinc/33/50/88/237335088.db2.gz XZSYJYUBPJFIEO-KGLIPLIRSA-N 2 0 262.422 2.781 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422922669 237352124 /nfs/dbraw/zinc/35/21/24/237352124.db2.gz QMWLEZMJSYQXBY-VVLHAWIVSA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422924726 237356127 /nfs/dbraw/zinc/35/61/27/237356127.db2.gz BBPYHQCBQZLUOH-NWDGAFQWSA-N 2 0 288.313 2.597 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000332183914 283468031 /nfs/dbraw/zinc/46/80/31/283468031.db2.gz ARAKWCPJWWFSCL-APHBMKBZSA-N 2 0 274.408 2.877 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1Cl ZINC000422923811 237356737 /nfs/dbraw/zinc/35/67/37/237356737.db2.gz SPHDEGWDTZVGAC-YRGRVCCFSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000422924320 237358484 /nfs/dbraw/zinc/35/84/84/237358484.db2.gz AMYGRQNRLHXSPV-SPWCGHHHSA-N 2 0 292.448 2.565 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422941514 237371613 /nfs/dbraw/zinc/37/16/13/237371613.db2.gz JJJQXKNPXPFIBX-WFASDCNBSA-N 2 0 282.815 2.826 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422914036 237341635 /nfs/dbraw/zinc/34/16/35/237341635.db2.gz ZXIJQPIGFHOCNS-CHWSQXEVSA-N 2 0 293.480 2.672 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422914954 237341669 /nfs/dbraw/zinc/34/16/69/237341669.db2.gz WUQRJLXXLKXYSX-WDEREUQCSA-N 2 0 296.365 2.689 20 0 CFADRP C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)C1C[NH2+]C1 ZINC000422915383 237341875 /nfs/dbraw/zinc/34/18/75/237341875.db2.gz XXZJHEWPXPWSDA-GFCCVEGCSA-N 2 0 293.480 2.931 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000422916917 237344071 /nfs/dbraw/zinc/34/40/71/237344071.db2.gz BXQMMADCKXZYMZ-DOPJRALCSA-N 2 0 284.403 2.682 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H](C)CCC[NH3+])C2CC2)cc1 ZINC000422947248 237377269 /nfs/dbraw/zinc/37/72/69/237377269.db2.gz XXKXXNQPGTXKOG-MLGOLLRUSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422949988 237379134 /nfs/dbraw/zinc/37/91/34/237379134.db2.gz WWQCXSJIQACYAF-GDIGMMSISA-N 2 0 298.430 2.724 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000422952109 237383773 /nfs/dbraw/zinc/38/37/73/237383773.db2.gz BSOBZGQGQKDLKZ-KBPBESRZSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@H](NCc1cccc(-c2cnn(C)c2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422965645 237392914 /nfs/dbraw/zinc/39/29/14/237392914.db2.gz PDFMQWGEDVFJBW-KSSFIOAISA-N 2 0 298.434 2.707 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000422987718 237417244 /nfs/dbraw/zinc/41/72/44/237417244.db2.gz IXOUCQYMTPLWLP-STCOUPBVSA-N 2 0 288.435 2.871 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000423027875 237451552 /nfs/dbraw/zinc/45/15/52/237451552.db2.gz FGWSOOANRUYCPQ-IPYPFGDCSA-N 2 0 291.439 2.705 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1O ZINC000297663839 200255727 /nfs/dbraw/zinc/25/57/27/200255727.db2.gz OAONYFPGJRBNJF-LSDHHAIUSA-N 2 0 292.423 2.753 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cs1 ZINC000297842224 200291521 /nfs/dbraw/zinc/29/15/21/200291521.db2.gz SLQBJBMXCHSKCB-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000380417409 540687782 /nfs/dbraw/zinc/68/77/82/540687782.db2.gz GTOOSDQSVNRWPG-RDJZCZTQSA-N 2 0 274.408 2.646 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H](c2cnn(C)c2)c2ccccc2)CC[N@@H+]1C ZINC000346881766 540692918 /nfs/dbraw/zinc/69/29/18/540692918.db2.gz XSMOIUNLKWXWEJ-FHLIZLRMSA-N 2 0 298.434 2.582 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000435874566 240362587 /nfs/dbraw/zinc/36/25/87/240362587.db2.gz LLEHRCNPUGBJCZ-WFASDCNBSA-N 2 0 250.361 2.818 20 0 CFADRP CCC[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000423228378 283561235 /nfs/dbraw/zinc/56/12/35/283561235.db2.gz ZJRBUCMLSYYBKV-SWLSCSKDSA-N 2 0 250.386 2.863 20 0 CFADRP c1cc(C[N@@H+]2CCCOCC2)ccc1C[NH+]1CCCCC1 ZINC000411214123 540778861 /nfs/dbraw/zinc/77/88/61/540778861.db2.gz SNAORTDYXJRDJI-UHFFFAOYSA-N 2 0 288.435 2.895 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000422818562 283576007 /nfs/dbraw/zinc/57/60/07/283576007.db2.gz KSQJSXNWWJBAGY-KXNHARMFSA-N 2 0 264.335 2.825 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178968362 189158612 /nfs/dbraw/zinc/15/86/12/189158612.db2.gz DZRRRINNKWOPDA-KRWDZBQOSA-N 2 0 288.435 2.702 20 0 CFADRP [NH3+]CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000414756797 540828713 /nfs/dbraw/zinc/82/87/13/540828713.db2.gz KFYSKRCESCGCGM-BRWVUGGUSA-N 2 0 258.409 2.993 20 0 CFADRP C[N@H+](CCC[NH3+])CCOc1ccccc1C(C)(C)C ZINC000414762917 540829020 /nfs/dbraw/zinc/82/90/20/540829020.db2.gz MDRSNISZIRVPQY-UHFFFAOYSA-N 2 0 264.413 2.644 20 0 CFADRP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000423094674 238197948 /nfs/dbraw/zinc/19/79/48/238197948.db2.gz COWNIGIXBDBGMR-PGZVSCLCSA-N 2 0 288.435 2.583 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423096084 238198686 /nfs/dbraw/zinc/19/86/86/238198686.db2.gz OAAJRUGIQRRHOS-HOZXKAFVSA-N 2 0 268.351 2.926 20 0 CFADRP c1[nH]nc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc12 ZINC000423098991 238200875 /nfs/dbraw/zinc/20/08/75/238200875.db2.gz DRAVWMQDZRJLHT-BBWFWOEESA-N 2 0 298.434 2.616 20 0 CFADRP c1ccc(C[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178957963 189157479 /nfs/dbraw/zinc/15/74/79/189157479.db2.gz IQVNCEBKOLLTBK-KRWDZBQOSA-N 2 0 258.409 2.551 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423124064 238215228 /nfs/dbraw/zinc/21/52/28/238215228.db2.gz FTVKYVKVAJFICB-KCTSRDHCSA-N 2 0 292.398 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423124065 238215809 /nfs/dbraw/zinc/21/58/09/238215809.db2.gz FTVKYVKVAJFICB-UXEPBGEESA-N 2 0 292.398 2.545 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc2[nH]1 ZINC000423123611 238216479 /nfs/dbraw/zinc/21/64/79/238216479.db2.gz NATZJAHXFZCFBJ-HRCADAONSA-N 2 0 284.407 2.573 20 0 CFADRP Cc1cc(CCN[C@@H](C)[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423125587 238217781 /nfs/dbraw/zinc/21/77/81/238217781.db2.gz AGMDFOZTXVXRKN-WFASDCNBSA-N 2 0 266.816 2.921 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423131164 238220042 /nfs/dbraw/zinc/22/00/42/238220042.db2.gz ZKVFXXINLWRUHC-WCXIOVBPSA-N 2 0 274.408 2.624 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415045179 540833375 /nfs/dbraw/zinc/83/33/75/540833375.db2.gz STZHDDCJIHAKDT-HUUCEWRRSA-N 2 0 256.434 2.561 20 0 CFADRP [NH3+]CCC[NH2+]CC1(c2ccc(Br)cc2)CCC1 ZINC000415089282 540834264 /nfs/dbraw/zinc/83/42/64/540834264.db2.gz YSUKVEJPRMOLPQ-UHFFFAOYSA-N 2 0 297.240 2.809 20 0 CFADRP CC[C@@H](C[NH2+]CCC[NH3+])Oc1ccccc1C(F)(F)F ZINC000415122915 540834539 /nfs/dbraw/zinc/83/45/39/540834539.db2.gz OQWGZUPONCAPMU-NSHDSACASA-N 2 0 290.329 2.801 20 0 CFADRP CN(C)C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000423116088 238208306 /nfs/dbraw/zinc/20/83/06/238208306.db2.gz ZLZSSTVZORKEFM-QWFMPGPPSA-N 2 0 293.430 2.536 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179137825 189172292 /nfs/dbraw/zinc/17/22/92/189172292.db2.gz HVSDRBQTMRFERL-JSGCOSHPSA-N 2 0 299.846 2.742 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000423118889 238211746 /nfs/dbraw/zinc/21/17/46/238211746.db2.gz APDHDJPXTYWPLM-GLQYFDAESA-N 2 0 290.432 2.743 20 0 CFADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(C)(C)C ZINC000670262244 540843057 /nfs/dbraw/zinc/84/30/57/540843057.db2.gz NKPABWKGIBDPHR-HNNXBMFYSA-N 2 0 282.472 2.713 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1NCc1ccnc(C(F)(F)F)c1 ZINC000423156626 238241083 /nfs/dbraw/zinc/24/10/83/238241083.db2.gz LINPKIUDUPPKMA-NWDGAFQWSA-N 2 0 287.329 2.850 20 0 CFADRP C[C@@H](c1ccncc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198016 540843872 /nfs/dbraw/zinc/84/38/72/540843872.db2.gz BMSHRNVVSGDCSG-BBRMVZONSA-N 2 0 259.397 2.607 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423145252 238230699 /nfs/dbraw/zinc/23/06/99/238230699.db2.gz JUGKMRDWGQQQHZ-VPSFDDGASA-N 2 0 270.420 2.979 20 0 CFADRP c1ccc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000179241402 189180087 /nfs/dbraw/zinc/18/00/87/189180087.db2.gz ORIAEXOVOWNNMC-UHFFFAOYSA-N 2 0 287.451 2.685 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(COC)c2)[C@H](C)C1 ZINC000179237759 189180187 /nfs/dbraw/zinc/18/01/87/189180187.db2.gz HQFYXBGVABOWGF-QAPCUYQASA-N 2 0 290.451 2.995 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423151366 238237074 /nfs/dbraw/zinc/23/70/74/238237074.db2.gz KACDQYSQEPRVAK-JTQLQIEISA-N 2 0 290.436 2.507 20 0 CFADRP Cc1ccc(F)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423152757 238239693 /nfs/dbraw/zinc/23/96/93/238239693.db2.gz MCXICCMXNUYCKT-YIONKMFJSA-N 2 0 262.372 2.549 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000684425449 540854125 /nfs/dbraw/zinc/85/41/25/540854125.db2.gz PXGQIPNBCCDKGE-PRLABOORSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423159542 238243899 /nfs/dbraw/zinc/24/38/99/238243899.db2.gz YGKNLGWOXSLFSO-ZDUSSCGKSA-N 2 0 252.377 2.784 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc2c[nH+]cn2c1 ZINC000423167922 238248211 /nfs/dbraw/zinc/24/82/11/238248211.db2.gz GBMYTODHMZCPFN-GDBMZVCRSA-N 2 0 286.423 2.735 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423203960 238274914 /nfs/dbraw/zinc/27/49/14/238274914.db2.gz DAKNMNHODQCLCP-WMZOPIPTSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Br)c(F)c1 ZINC000423224703 238289595 /nfs/dbraw/zinc/28/95/95/238289595.db2.gz JZEIAANZTHZTOY-DTWKUNHWSA-N 2 0 289.192 2.976 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000306774367 540886247 /nfs/dbraw/zinc/88/62/47/540886247.db2.gz VPFHJLJNSIJFDV-IKGGRYGDSA-N 2 0 274.408 2.547 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166564468 540888322 /nfs/dbraw/zinc/88/83/22/540888322.db2.gz BQHUSAGGZLVTPS-BRWVUGGUSA-N 2 0 270.420 2.933 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000423229168 238294122 /nfs/dbraw/zinc/29/41/22/238294122.db2.gz GPZZJAIJGUTLNF-UWVGGRQHSA-N 2 0 258.312 2.676 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423236647 238297805 /nfs/dbraw/zinc/29/78/05/238297805.db2.gz OUFKKGHICLTOIR-MKXGPGLRSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2(C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000179597356 189206245 /nfs/dbraw/zinc/20/62/45/189206245.db2.gz OUKMAQRSQYKCIZ-WMLDXEAASA-N 2 0 272.436 2.864 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423239022 238299529 /nfs/dbraw/zinc/29/95/29/238299529.db2.gz RNPNJNIDNDMGMB-DLBZAZTESA-N 2 0 258.409 2.658 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000423212421 238280931 /nfs/dbraw/zinc/28/09/31/238280931.db2.gz LVPRPWIVGZWKBQ-NHYWBVRUSA-N 2 0 264.800 2.917 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1OC ZINC000423245744 238304073 /nfs/dbraw/zinc/30/40/73/238304073.db2.gz JIDOQMBHRSNJBU-ZIAGYGMSSA-N 2 0 292.423 2.662 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423243368 238304110 /nfs/dbraw/zinc/30/41/10/238304110.db2.gz WFWMAZKHWBKSNM-DLBZAZTESA-N 2 0 258.409 2.658 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000423245735 238304338 /nfs/dbraw/zinc/30/43/38/238304338.db2.gz JHVRWJOTBPOWQS-QWRGUYRKSA-N 2 0 254.324 2.615 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166429045 540906419 /nfs/dbraw/zinc/90/64/19/540906419.db2.gz OBMAZHSZQSBTMM-IAGOWNOFSA-N 2 0 288.435 2.980 20 0 CFADRP COCCc1nc(C)c([C@H](C)N[C@H](C[NH3+])CC(C)C)s1 ZINC000423259484 238314129 /nfs/dbraw/zinc/31/41/29/238314129.db2.gz DWQQGHHQZKMNIU-AAEUAGOBSA-N 2 0 299.484 2.664 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)N(C)c1ccccc1 ZINC000156176448 540918411 /nfs/dbraw/zinc/91/84/11/540918411.db2.gz OXQZDUQORJVERE-HOTGVXAUSA-N 2 0 289.467 2.831 20 0 CFADRP COc1cccc(C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423282403 238341681 /nfs/dbraw/zinc/34/16/81/238341681.db2.gz VYWXJZRUIZFDHL-IRXDYDNUSA-N 2 0 276.424 2.589 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1c(F)cccc1F)C2 ZINC000389065719 540931787 /nfs/dbraw/zinc/93/17/87/540931787.db2.gz JPMOIEOTGURODQ-NHYWBVRUSA-N 2 0 266.335 2.526 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1 ZINC000423275095 238332382 /nfs/dbraw/zinc/33/23/82/238332382.db2.gz MUKFZSSKPQLKKD-BZUAXINKSA-N 2 0 275.440 2.989 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000388623286 540924369 /nfs/dbraw/zinc/92/43/69/540924369.db2.gz UBDAKRLNVWQSIA-IRXDYDNUSA-N 2 0 258.409 2.864 20 0 CFADRP Clc1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423308338 238364977 /nfs/dbraw/zinc/36/49/77/238364977.db2.gz XMNLDAZCNWNZQR-CQSZACIVSA-N 2 0 250.773 2.600 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000423311159 238365621 /nfs/dbraw/zinc/36/56/21/238365621.db2.gz STWIBWCLKZQYQN-GHMZBOCLSA-N 2 0 274.330 2.821 20 0 CFADRP CCC[NH+]1CCC(NCC[N@H+](C)C2CCCCC2)CC1 ZINC000157400094 540951457 /nfs/dbraw/zinc/95/14/57/540951457.db2.gz IMBPJCBZRRPFHG-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP CC[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@@H]1C ZINC000666086625 540955440 /nfs/dbraw/zinc/95/54/40/540955440.db2.gz LHXHXGGTFCIEIY-QGTPRVQTSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000423293742 238350704 /nfs/dbraw/zinc/35/07/04/238350704.db2.gz RZNIXEBRDUKETP-WBMJQRKESA-N 2 0 284.407 2.681 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1F ZINC000423294435 238351602 /nfs/dbraw/zinc/35/16/02/238351602.db2.gz BWZQOTLGTVVAMX-VHSXEESVSA-N 2 0 256.390 2.793 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH3+])CCCO2 ZINC000423298251 238356627 /nfs/dbraw/zinc/35/66/27/238356627.db2.gz NUGZZTNGYORNPB-WFASDCNBSA-N 2 0 262.397 2.702 20 0 CFADRP Clc1ccc([C@H](CC2CC2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423299435 238357070 /nfs/dbraw/zinc/35/70/70/238357070.db2.gz BOBDHJBDPNLVSM-HNNXBMFYSA-N 2 0 264.800 2.990 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423325863 238379288 /nfs/dbraw/zinc/37/92/88/238379288.db2.gz LWMMUQFDQWBFQC-STQMWFEESA-N 2 0 250.386 2.516 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423325859 238379623 /nfs/dbraw/zinc/37/96/23/238379623.db2.gz LWMMUQFDQWBFQC-QWHCGFSZSA-N 2 0 250.386 2.516 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423328131 238380408 /nfs/dbraw/zinc/38/04/08/238380408.db2.gz SCKFFRQSLPDOLR-QWRGUYRKSA-N 2 0 252.789 2.641 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CCC[NH2+]C1 ZINC000423328331 238381252 /nfs/dbraw/zinc/38/12/52/238381252.db2.gz DMAKWVZUBPNEAF-ILXRZTDVSA-N 2 0 256.409 2.884 20 0 CFADRP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423332548 238382953 /nfs/dbraw/zinc/38/29/53/238382953.db2.gz DJUVCOUOXDLWGK-FUHWJXTLSA-N 2 0 286.419 2.664 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)c2ccccc21 ZINC000423333920 238385240 /nfs/dbraw/zinc/38/52/40/238385240.db2.gz WJXOJPVJZDUARX-NSHDSACASA-N 2 0 258.340 2.849 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCOCc2ccccc2)C1 ZINC000390589187 540978543 /nfs/dbraw/zinc/97/85/43/540978543.db2.gz OPELHJUBCQBXGA-IRXDYDNUSA-N 2 0 276.424 2.843 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)s1 ZINC000423336460 238388033 /nfs/dbraw/zinc/38/80/33/238388033.db2.gz GYBPUUKIWFNERR-NSHDSACASA-N 2 0 250.411 2.935 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(OC)c1 ZINC000423337845 238388795 /nfs/dbraw/zinc/38/87/95/238388795.db2.gz UGAAPTOYGAEEKF-CYBMUJFWSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337071 238389097 /nfs/dbraw/zinc/38/90/97/238389097.db2.gz ACMMREJPZYGMSK-FSPWUOQZSA-N 2 0 286.419 2.697 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[NH3+] ZINC000423319689 238371768 /nfs/dbraw/zinc/37/17/68/238371768.db2.gz CSGVFJXMBVAHQE-NSHDSACASA-N 2 0 290.436 2.903 20 0 CFADRP C[C@H](C[NH3+])N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423319862 238371798 /nfs/dbraw/zinc/37/17/98/238371798.db2.gz FUXBBEPLSIAZSR-OLZOCXBDSA-N 2 0 255.365 2.746 20 0 CFADRP C[C@H](C[NH3+])N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423320814 238372080 /nfs/dbraw/zinc/37/20/80/238372080.db2.gz GSTAVHHISYRYGP-RNCFNFMXSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000157898516 540963180 /nfs/dbraw/zinc/96/31/80/540963180.db2.gz PNQZTSRJFGZEIF-IRXDYDNUSA-N 3 0 295.515 2.961 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158114891 540967165 /nfs/dbraw/zinc/96/71/65/540967165.db2.gz ZFRUGRVNYLLBQJ-WMLDXEAASA-N 2 0 258.409 2.914 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423349999 238399440 /nfs/dbraw/zinc/39/94/40/238399440.db2.gz YGCWBQLCNSYEAW-LBPRGKRZSA-N 2 0 264.800 2.780 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423354662 238403259 /nfs/dbraw/zinc/40/32/59/238403259.db2.gz DDZIMEAISOQHNZ-IAGOWNOFSA-N 2 0 258.409 2.739 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423361608 238406969 /nfs/dbraw/zinc/40/69/69/238406969.db2.gz XGVOBTXUQNLXFK-IRXDYDNUSA-N 2 0 285.435 2.926 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3=CC[NH2+]CC3)C2)cc1 ZINC000423341393 238390112 /nfs/dbraw/zinc/39/01/12/238390112.db2.gz CLVFFWXTTWUSHR-ROUUACIJSA-N 2 0 270.420 2.907 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000483212199 540984688 /nfs/dbraw/zinc/98/46/88/540984688.db2.gz IQZJZSLPBYZNJD-RHSMWYFYSA-N 2 0 260.425 2.721 20 0 CFADRP C[C@@H](CCC(C)(C)C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000312465681 541034471 /nfs/dbraw/zinc/03/44/71/541034471.db2.gz FAZSBYUJEBLCCQ-HNNXBMFYSA-N 2 0 283.504 2.817 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423454281 238466501 /nfs/dbraw/zinc/46/65/01/238466501.db2.gz CGXKLZWBOQXCFP-GZBFAFLISA-N 2 0 292.423 2.872 20 0 CFADRP CC(C)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000311633724 541029221 /nfs/dbraw/zinc/02/92/21/541029221.db2.gz ZUAITNQAHOIHBW-INIZCTEOSA-N 2 0 270.461 2.588 20 0 CFADRP Cc1csc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)n1 ZINC000671745632 541064162 /nfs/dbraw/zinc/06/41/62/541064162.db2.gz CMKQZQORFWUZKD-HIFPTAJRSA-N 2 0 267.442 2.975 20 0 CFADRP CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183126202 189347332 /nfs/dbraw/zinc/34/73/32/189347332.db2.gz BWRYFHBNAXRZGM-IXDOHACOSA-N 2 0 258.409 2.897 20 0 CFADRP [NH3+][C@@H]1C[C@@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000424336112 238756598 /nfs/dbraw/zinc/75/65/98/238756598.db2.gz IQJNIFBPBDZXCJ-LSDHHAIUSA-N 2 0 298.390 2.537 20 0 CFADRP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(F)c2F)C1 ZINC000183226301 189350810 /nfs/dbraw/zinc/35/08/10/189350810.db2.gz MRZFIIBVQTZIKA-RYUDHWBXSA-N 2 0 268.351 2.957 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000666417732 541092438 /nfs/dbraw/zinc/09/24/38/541092438.db2.gz KVUZLYSBNODXFE-HIFRSBDPSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000671768237 541136362 /nfs/dbraw/zinc/13/63/62/541136362.db2.gz PDKAECQVBMYYDF-JTQLQIEISA-N 2 0 264.335 2.649 20 0 CFADRP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OC ZINC000666825532 541148419 /nfs/dbraw/zinc/14/84/19/541148419.db2.gz ZQDOLWIWEDBZEG-STQMWFEESA-N 2 0 280.412 2.557 20 0 CFADRP CC[C@H](C)Oc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OC ZINC000666831938 541149072 /nfs/dbraw/zinc/14/90/72/541149072.db2.gz MRZOJHMJSQUUSZ-OLZOCXBDSA-N 2 0 280.412 2.699 20 0 CFADRP CC(C)(C)c1nc(CN[C@H]2CCC[NH2+]CC2)cs1 ZINC000666855267 541151860 /nfs/dbraw/zinc/15/18/60/541151860.db2.gz HZIXCXGESLVGEN-NSHDSACASA-N 2 0 267.442 2.672 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857798 541152697 /nfs/dbraw/zinc/15/26/97/541152697.db2.gz JLIWUZBNYVLSKJ-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000666856342 541152703 /nfs/dbraw/zinc/15/27/03/541152703.db2.gz BWVXEWOBPCXYNW-CYBMUJFWSA-N 2 0 274.364 2.673 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000666855358 541153021 /nfs/dbraw/zinc/15/30/21/541153021.db2.gz NRVZZJPXDSMRLE-LBPRGKRZSA-N 2 0 298.814 2.589 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000666857879 541153098 /nfs/dbraw/zinc/15/30/98/541153098.db2.gz OAUNFPJDKVBOHV-NUJGCVRESA-N 2 0 293.499 2.761 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000666856511 541153112 /nfs/dbraw/zinc/15/31/12/541153112.db2.gz MONYVNWHLDDSMM-NPPUXFBVSA-N 2 0 266.335 2.710 20 0 CFADRP c1ccc(OCCCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000666858128 541153802 /nfs/dbraw/zinc/15/38/02/541153802.db2.gz YIURHWFUUWTSGS-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950726 541165369 /nfs/dbraw/zinc/16/53/69/541165369.db2.gz CLZLZCSOHVAPNS-MRXNPFEDSA-N 2 0 274.408 2.707 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952517 541166075 /nfs/dbraw/zinc/16/60/75/541166075.db2.gz ZHBWDFQNLQAUNM-INIZCTEOSA-N 2 0 296.418 2.617 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C[C@@H]1c1ccccc1 ZINC000666953575 541166633 /nfs/dbraw/zinc/16/66/33/541166633.db2.gz BLAMSZLHCZAKLQ-LLLHUVSDSA-N 2 0 270.420 2.910 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666953635 541166693 /nfs/dbraw/zinc/16/66/93/541166693.db2.gz CUDHXEWQXYZIBN-NJAFHUGGSA-N 2 0 299.462 2.554 20 0 CFADRP c1cc2cnccc2c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000666903244 541157968 /nfs/dbraw/zinc/15/79/68/541157968.db2.gz CQTYQFGKWQTVLI-MRXNPFEDSA-N 2 0 269.392 2.857 20 0 CFADRP c1cc2cnccc2c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000666903243 541158318 /nfs/dbraw/zinc/15/83/18/541158318.db2.gz CQTYQFGKWQTVLI-INIZCTEOSA-N 2 0 269.392 2.857 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1cccc(F)c1)C[NH+](C)C ZINC000425916658 239136583 /nfs/dbraw/zinc/13/65/83/239136583.db2.gz BQXBKDWMSOHHLT-KGLIPLIRSA-N 2 0 266.404 2.934 20 0 CFADRP CCCc1cc(N2CC([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000302145472 201364484 /nfs/dbraw/zinc/36/44/84/201364484.db2.gz QYIDLENORNONSQ-UHFFFAOYSA-N 2 0 269.392 2.938 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2ccnn2CC2CC2)CC1 ZINC000667493987 541243050 /nfs/dbraw/zinc/24/30/50/541243050.db2.gz JYMSKCZPXIHIDR-UHFFFAOYSA-N 2 0 290.455 2.598 20 0 CFADRP C[C@H]([N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C1(C)CC1 ZINC000667696427 541291874 /nfs/dbraw/zinc/29/18/74/541291874.db2.gz VMXZSKQVOKQCKB-ZDUSSCGKSA-N 2 0 270.380 2.888 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667792025 541316090 /nfs/dbraw/zinc/31/60/90/541316090.db2.gz VOIJUGHMBWLUFE-NJAFHUGGSA-N 2 0 288.435 2.905 20 0 CFADRP C1CC1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000667891752 541335515 /nfs/dbraw/zinc/33/55/15/541335515.db2.gz WUYJEMNXTYDMJP-AEFFLSMTSA-N 2 0 292.467 2.941 20 0 CFADRP CCC1(CC)C[N@H+](Cc2cnc3n2CCC3)CCS1 ZINC000667994682 541361991 /nfs/dbraw/zinc/36/19/91/541361991.db2.gz LSXYNSAKURLLBR-UHFFFAOYSA-N 2 0 279.453 2.937 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1Cc1cnc(C)n1C ZINC000668075201 541378944 /nfs/dbraw/zinc/37/89/44/541378944.db2.gz MAQSDIJOQNNIPO-HNNXBMFYSA-N 2 0 265.401 2.510 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668070649 541379050 /nfs/dbraw/zinc/37/90/50/541379050.db2.gz VUXNTVKXMKNOIZ-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432360785 239991118 /nfs/dbraw/zinc/99/11/18/239991118.db2.gz XMCLIEUPVSMZAR-BRWVUGGUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432799230 240045022 /nfs/dbraw/zinc/04/50/22/240045022.db2.gz WJBCYNJECWJWDX-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000668189010 541398155 /nfs/dbraw/zinc/39/81/55/541398155.db2.gz VWAODCSBXSEULH-GOSISDBHSA-N 2 0 288.435 2.921 20 0 CFADRP CC(C)(C)CCCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433157457 240111892 /nfs/dbraw/zinc/11/18/92/240111892.db2.gz MIVCHMOBGBDSFA-UHFFFAOYSA-N 2 0 297.487 2.522 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000435374448 240307880 /nfs/dbraw/zinc/30/78/80/240307880.db2.gz XJBHQPVETLRYMD-OLZOCXBDSA-N 2 0 288.395 2.537 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000435376824 240307917 /nfs/dbraw/zinc/30/79/17/240307917.db2.gz VEUZMGDMODSRHK-TZMCWYRMSA-N 2 0 264.438 2.968 20 0 CFADRP CC[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435382248 240310366 /nfs/dbraw/zinc/31/03/66/240310366.db2.gz CNFIHWLFLFADTP-OAHLLOKOSA-N 2 0 268.351 2.929 20 0 CFADRP CC[N@H+](CCOCCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435622468 240333381 /nfs/dbraw/zinc/33/33/81/240333381.db2.gz DJHCTHONEVJTCX-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@H+](Cc1cccc(NC(C)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435627225 240335336 /nfs/dbraw/zinc/33/53/36/240335336.db2.gz QVCOEEXQVUUHEV-QGZVFWFLSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@H](N)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000435724511 240345227 /nfs/dbraw/zinc/34/52/27/240345227.db2.gz CLEUETQCXWZJKZ-LBPRGKRZSA-N 2 0 286.379 2.742 20 0 CFADRP C([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435749363 240348500 /nfs/dbraw/zinc/34/85/00/240348500.db2.gz SWHKMIGQLOTLFM-RDJZCZTQSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443075941 241036208 /nfs/dbraw/zinc/03/62/08/241036208.db2.gz RZUVFTRXCHFLPW-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000442879908 241012666 /nfs/dbraw/zinc/01/26/66/241012666.db2.gz XFGGHUFLUVURPO-CQSZACIVSA-N 2 0 295.496 2.815 20 0 CFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000442879907 241013618 /nfs/dbraw/zinc/01/36/18/241013618.db2.gz XFGGHUFLUVURPO-AWEZNQCLSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442924698 241022119 /nfs/dbraw/zinc/02/21/19/241022119.db2.gz SSKFZDJHBROYPN-RDJZCZTQSA-N 2 0 260.425 2.926 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccnc2ccncc21 ZINC000444081714 241112782 /nfs/dbraw/zinc/11/27/82/241112782.db2.gz FSPVRQIPXKHQKZ-OKILXGFUSA-N 2 0 284.407 2.727 20 0 CFADRP Cc1ccccc1[C@@H]([C@H](C)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000443199897 241046984 /nfs/dbraw/zinc/04/69/84/241046984.db2.gz RSENBXALCUNXCV-MAUKXSAKSA-N 2 0 289.467 2.670 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000673756750 541512779 /nfs/dbraw/zinc/51/27/79/541512779.db2.gz JINSZKFMWSRAKW-RDJZCZTQSA-N 2 0 291.439 2.575 20 0 CFADRP CC(C)[C@@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@H]1C(C)C ZINC000447166683 241358406 /nfs/dbraw/zinc/35/84/06/241358406.db2.gz FRQJSYIPDLLTMY-IRXDYDNUSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884020 241334274 /nfs/dbraw/zinc/33/42/74/241334274.db2.gz LAXKGWKSRVQQFB-AWEZNQCLSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446886576 241336370 /nfs/dbraw/zinc/33/63/70/241336370.db2.gz HDYDNWOIHBEBIU-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000446952304 241340988 /nfs/dbraw/zinc/34/09/88/241340988.db2.gz NAAZUJSRHCTHJM-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1nccs1 ZINC000447568136 241385775 /nfs/dbraw/zinc/38/57/75/241385775.db2.gz HPAVOLTYRLDJPH-NSHDSACASA-N 2 0 265.426 2.668 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000674046538 541532529 /nfs/dbraw/zinc/53/25/29/541532529.db2.gz UKLXXRBOQDMEEU-OAHLLOKOSA-N 2 0 294.464 2.612 20 0 CFADRP OCC1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000449581351 242045549 /nfs/dbraw/zinc/04/55/49/242045549.db2.gz ZGLBADBEDQTUAW-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP COc1ccsc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449527699 242005815 /nfs/dbraw/zinc/00/58/15/242005815.db2.gz KIKZXLQORHTTIQ-UHFFFAOYSA-N 2 0 270.442 2.967 20 0 CFADRP CCN(C)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000449528869 242006132 /nfs/dbraw/zinc/00/61/32/242006132.db2.gz SPDUEUKVPRBTSR-UHFFFAOYSA-N 2 0 292.471 2.748 20 0 CFADRP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)O ZINC000449543996 242015764 /nfs/dbraw/zinc/01/57/64/242015764.db2.gz PPZQFWWDWGWDRE-FZCLSBEQSA-N 2 0 290.451 2.646 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000449555285 242026994 /nfs/dbraw/zinc/02/69/94/242026994.db2.gz QSUIPGBJUPAUIN-CXAGYDPISA-N 2 0 276.399 2.749 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000449555763 242027081 /nfs/dbraw/zinc/02/70/81/242027081.db2.gz RWYCNNBETQBNAT-YOEHRIQHSA-N 2 0 284.407 2.957 20 0 CFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000674303018 541557113 /nfs/dbraw/zinc/55/71/13/541557113.db2.gz SPAOGTHQNJXTOB-ROUUACIJSA-N 2 0 288.435 2.619 20 0 CFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000674303019 541557400 /nfs/dbraw/zinc/55/74/00/541557400.db2.gz SPAOGTHQNJXTOB-ZWKOTPCHSA-N 2 0 288.435 2.619 20 0 CFADRP C[C@H]1C[N@H+](C/C=C\C[NH+]2C[C@@H](C)[C@H](C)C2)C[C@H]1C ZINC000674493479 541569993 /nfs/dbraw/zinc/56/99/93/541569993.db2.gz IKPMNEWXIPDREK-GKEZSVGLSA-N 2 0 250.430 2.718 20 0 CFADRP CCc1cc(N2CC[C@H](OCC[NH+](CC)CC)C2)cc[nH+]1 ZINC000450362288 242377018 /nfs/dbraw/zinc/37/70/18/242377018.db2.gz FXGGCUJYTRQNAL-KRWDZBQOSA-N 2 0 291.439 2.581 20 0 CFADRP C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422753190 296116494 /nfs/dbraw/zinc/11/64/94/296116494.db2.gz FTKRBZNXMIWUOA-XHSDSOJGSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H](NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400627865 296118742 /nfs/dbraw/zinc/11/87/42/296118742.db2.gz LAOLMCLZHLXKHG-IAGOWNOFSA-N 2 0 293.499 2.905 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnccn1 ZINC000247156849 296121601 /nfs/dbraw/zinc/12/16/01/296121601.db2.gz TZDDXWHQRVOIEG-LSDHHAIUSA-N 2 0 276.428 2.782 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675733697 541685994 /nfs/dbraw/zinc/68/59/94/541685994.db2.gz FJZYKLHBDAXXRZ-HNNXBMFYSA-N 2 0 290.451 2.866 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675750415 541688170 /nfs/dbraw/zinc/68/81/70/541688170.db2.gz KGZJFXJKJJPIMQ-BRWVUGGUSA-N 3 0 295.515 2.674 20 0 CFADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675769613 541691407 /nfs/dbraw/zinc/69/14/07/541691407.db2.gz BZNAOVKFLTZCOE-YYIAUSFCSA-N 2 0 295.515 2.673 20 0 CFADRP COc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675814251 541697387 /nfs/dbraw/zinc/69/73/87/541697387.db2.gz QWIOPANRVZHFBL-CABCVRRESA-N 2 0 292.423 2.536 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cn1 ZINC000675874393 541701565 /nfs/dbraw/zinc/70/15/65/541701565.db2.gz QLCXTXNTMFRJMG-KBPBESRZSA-N 2 0 278.444 2.845 20 0 CFADRP CC[C@@H]1CCCCN1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675877799 541701593 /nfs/dbraw/zinc/70/15/93/541701593.db2.gz LBPFGVAPFOIROJ-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453148388 243428719 /nfs/dbraw/zinc/42/87/19/243428719.db2.gz YSYNOLYEBMKZMP-GOSISDBHSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOC(C)(C)C)CC[C@H]21 ZINC000675897622 541705530 /nfs/dbraw/zinc/70/55/30/541705530.db2.gz KOOOKNALCJSPOG-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414757529 284084660 /nfs/dbraw/zinc/08/46/60/284084660.db2.gz SSJBIICQJFWJQI-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000676901978 541804340 /nfs/dbraw/zinc/80/43/40/541804340.db2.gz KCLMIFNEWODMPN-KRWDZBQOSA-N 2 0 295.515 2.820 20 0 CFADRP C[C@H]1[C@@H]([NH2+]CCc2ccc(Cl)cc2)CCCN1C ZINC000459479213 245193316 /nfs/dbraw/zinc/19/33/16/245193316.db2.gz JZFSXJIVJPXSEE-WFASDCNBSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000459497430 245199552 /nfs/dbraw/zinc/19/95/52/245199552.db2.gz JJMIIOXTWALQCO-LLVKDONJSA-N 2 0 287.329 2.838 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000459741309 245297010 /nfs/dbraw/zinc/29/70/10/245297010.db2.gz VHWWWWVTKKTRFW-HNNXBMFYSA-N 2 0 298.434 2.898 20 0 CFADRP Cc1ccncc1CCC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459795423 245330320 /nfs/dbraw/zinc/33/03/20/245330320.db2.gz VGDJSYCVLPPGSW-INIZCTEOSA-N 2 0 275.440 2.644 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1N(C)C ZINC000423505471 299425914 /nfs/dbraw/zinc/42/59/14/299425914.db2.gz LOUUDBQNDRQAKM-MJBXVCDLSA-N 2 0 261.413 2.531 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c[nH]nc2C)cc1 ZINC000036901644 372608662 /nfs/dbraw/zinc/60/86/62/372608662.db2.gz ICDKYQDKIYTWIE-UHFFFAOYSA-N 2 0 286.423 2.850 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000036908072 372609825 /nfs/dbraw/zinc/60/98/25/372609825.db2.gz JKIPOBZOZQLTEH-VYDXJSESSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000037374237 372664512 /nfs/dbraw/zinc/66/45/12/372664512.db2.gz YEYLFJYCMZDDIM-AWEZNQCLSA-N 2 0 282.391 2.796 20 0 CFADRP c1csc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000037374178 372664932 /nfs/dbraw/zinc/66/49/32/372664932.db2.gz AWDKPDYAWOAEPZ-UHFFFAOYSA-N 2 0 287.432 2.944 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000037643955 372678867 /nfs/dbraw/zinc/67/88/67/372678867.db2.gz XCTSBUYTKOUMQX-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000037649159 372683364 /nfs/dbraw/zinc/68/33/64/372683364.db2.gz WWFIXICTRKBZGZ-QWHCGFSZSA-N 2 0 260.381 2.527 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649105 372684763 /nfs/dbraw/zinc/68/47/63/372684763.db2.gz ZQSNJFWOCBAGEP-KBPBESRZSA-N 2 0 274.408 2.830 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000037649199 372685239 /nfs/dbraw/zinc/68/52/39/372685239.db2.gz WPCFEEJOHDVLPI-QWHCGFSZSA-N 2 0 262.372 2.961 20 0 CFADRP COc1ccc2cc(C[NH2+]CCCC[NH3+])ccc2c1 ZINC000037714596 372690952 /nfs/dbraw/zinc/69/09/52/372690952.db2.gz ATLCKNSTIZXMGC-UHFFFAOYSA-N 2 0 258.365 2.677 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(F)c(Br)c1 ZINC000037713820 372691312 /nfs/dbraw/zinc/69/13/12/372691312.db2.gz QPVXJQJWGRTEEY-QMMMGPOBSA-N 2 0 275.165 2.588 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCC[NH3+] ZINC000037714918 372692478 /nfs/dbraw/zinc/69/24/78/372692478.db2.gz UZUFZSQQOIUVSS-GFCCVEGCSA-N 2 0 286.366 2.938 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000571327366 383684442 /nfs/dbraw/zinc/68/44/42/383684442.db2.gz WKTYQPBQFBECKV-GDBMZVCRSA-N 2 0 250.430 2.888 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000333304530 205201747 /nfs/dbraw/zinc/20/17/47/205201747.db2.gz QPOIPRFOXAJEMV-KFGODFMUSA-N 3 0 293.499 2.652 20 0 CFADRP C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC000042440724 372924436 /nfs/dbraw/zinc/92/44/36/372924436.db2.gz KVFMUWMMIXNKCL-ZDUSSCGKSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000479447999 245619994 /nfs/dbraw/zinc/61/99/94/245619994.db2.gz FVSAPACSNYOTTH-KGLIPLIRSA-N 2 0 298.858 3.000 20 0 CFADRP c1csc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000042516929 372930899 /nfs/dbraw/zinc/93/08/99/372930899.db2.gz MSBFRFKLCYXLIA-UHFFFAOYSA-N 2 0 250.411 2.712 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccsc1 ZINC000042600018 372937229 /nfs/dbraw/zinc/93/72/29/372937229.db2.gz CVHLSDDYILWNPC-BZPMIXESSA-N 2 0 252.427 2.609 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccsc1)N1CC[NH+](C)CC1 ZINC000050344468 373371001 /nfs/dbraw/zinc/37/10/01/373371001.db2.gz JVNULZKALDKSAN-GOEBONIOSA-N 2 0 295.496 2.671 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000051919516 373417322 /nfs/dbraw/zinc/41/73/22/373417322.db2.gz GADSRASGNHFGES-ZDUSSCGKSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000053157873 373465068 /nfs/dbraw/zinc/46/50/68/373465068.db2.gz IKVQEIYFUXUFFU-ZANVPECISA-N 2 0 256.752 2.648 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000053659230 373484517 /nfs/dbraw/zinc/48/45/17/373484517.db2.gz OCBJCKIKUADWJH-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252873209 220229729 /nfs/dbraw/zinc/22/97/29/220229729.db2.gz UNMPWTJQASGQAL-XIRDDKMYSA-N 2 0 274.408 2.645 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3ccccc3)C2)C1 ZINC000063527764 373808317 /nfs/dbraw/zinc/80/83/17/373808317.db2.gz CBMZXQZHRAIWQC-QGZVFWFLSA-N 2 0 258.409 2.647 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC(C)C)cc2)CC1 ZINC000063159115 373788347 /nfs/dbraw/zinc/78/83/47/373788347.db2.gz NVWHGOLTVSDFRO-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP Fc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063200052 373797137 /nfs/dbraw/zinc/79/71/37/373797137.db2.gz DEWRYOWQUKKVSP-QGZVFWFLSA-N 2 0 292.398 2.669 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000571451117 383695349 /nfs/dbraw/zinc/69/53/49/383695349.db2.gz YUASSVFEGZXXGG-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000070148434 374128272 /nfs/dbraw/zinc/12/82/72/374128272.db2.gz OTUXMACEDDQQSQ-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000070149764 374129957 /nfs/dbraw/zinc/12/99/57/374129957.db2.gz JGTYFUFGCHFUGG-AWEZNQCLSA-N 2 0 282.815 2.922 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000070170696 374135195 /nfs/dbraw/zinc/13/51/95/374135195.db2.gz CZXVYUVDJBLJHN-CQSZACIVSA-N 2 0 264.438 2.840 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000069711285 374089171 /nfs/dbraw/zinc/08/91/71/374089171.db2.gz AJWQPAHEHJBMJR-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070169677 374135481 /nfs/dbraw/zinc/13/54/81/374135481.db2.gz HEZBLZDWBSPGPF-CHWSQXEVSA-N 2 0 250.361 2.948 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000070169510 374135732 /nfs/dbraw/zinc/13/57/32/374135732.db2.gz BDIWAWKZLUAQIT-GFCCVEGCSA-N 2 0 284.350 2.849 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000070170532 374135925 /nfs/dbraw/zinc/13/59/25/374135925.db2.gz PLIVERPNCGMYSH-AWEZNQCLSA-N 2 0 285.391 2.902 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070173937 374140083 /nfs/dbraw/zinc/14/00/83/374140083.db2.gz ZURYTORQFYPPCY-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000070174200 374141064 /nfs/dbraw/zinc/14/10/64/374141064.db2.gz BAEURWVHXHALOB-OLZOCXBDSA-N 2 0 282.815 2.778 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000070189722 374143191 /nfs/dbraw/zinc/14/31/91/374143191.db2.gz ADKOOIMXFBOIAH-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000070188796 374143657 /nfs/dbraw/zinc/14/36/57/374143657.db2.gz AHKASPYADAPQGD-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000070344094 374168389 /nfs/dbraw/zinc/16/83/89/374168389.db2.gz VCARMYLATNPUPJ-NVXWUHKLSA-N 2 0 276.424 2.666 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc2cccnc12 ZINC000491593515 246085826 /nfs/dbraw/zinc/08/58/26/246085826.db2.gz GXCRXRIDSAXESK-ZDUSSCGKSA-N 2 0 271.408 2.831 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000678073365 541946564 /nfs/dbraw/zinc/94/65/64/541946564.db2.gz RYFXCERULRUGOU-KSZLIROESA-N 2 0 299.462 2.539 20 0 CFADRP CCCC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678121019 541955437 /nfs/dbraw/zinc/95/54/37/541955437.db2.gz WCFPFLWWNSTULB-UHFFFAOYSA-N 2 0 264.413 2.859 20 0 CFADRP c1ccc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000080405913 374654951 /nfs/dbraw/zinc/65/49/51/374654951.db2.gz HUWORXUNJUJPFR-UHFFFAOYSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000080510035 374658756 /nfs/dbraw/zinc/65/87/56/374658756.db2.gz HJFXMUDAYFTXOC-CYBMUJFWSA-N 2 0 288.435 2.959 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000083430812 374744509 /nfs/dbraw/zinc/74/45/09/374744509.db2.gz AFWRLTXRKHXSKV-UHFFFAOYSA-N 2 0 258.365 2.548 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000083479966 374749413 /nfs/dbraw/zinc/74/94/13/374749413.db2.gz WWEJAGVZYNAXSS-CQSZACIVSA-N 2 0 264.413 2.905 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000081637822 374711013 /nfs/dbraw/zinc/71/10/13/374711013.db2.gz ZLJPONKTNSZCPG-JKSUJKDBSA-N 2 0 250.430 2.887 20 0 CFADRP Brc1ccsc1CNCCC[NH2+]C1CC1 ZINC000087575944 374826390 /nfs/dbraw/zinc/82/63/90/374826390.db2.gz QXRWXRBHPHCFAT-UHFFFAOYSA-N 2 0 289.242 2.742 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000089140692 374873075 /nfs/dbraw/zinc/87/30/75/374873075.db2.gz ROINOBKCHCCIRL-GXTWGEPZSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000089140169 374873145 /nfs/dbraw/zinc/87/31/45/374873145.db2.gz BGZLBXNTCDMZBH-LSDHHAIUSA-N 2 0 286.423 2.534 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000089139430 374873322 /nfs/dbraw/zinc/87/33/22/374873322.db2.gz NAJQITFYHZHIIB-MSOLQXFVSA-N 2 0 289.467 2.616 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089140387 374873657 /nfs/dbraw/zinc/87/36/57/374873657.db2.gz OUDWXVDBDAPBTI-UMVBOHGHSA-N 2 0 250.386 2.708 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000089552283 374922674 /nfs/dbraw/zinc/92/26/74/374922674.db2.gz AUXVUHKJZWPHJX-XHBSWPGZSA-N 2 0 298.377 2.662 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC2CCCCC2)CC1 ZINC000089426358 374903133 /nfs/dbraw/zinc/90/31/33/374903133.db2.gz BZBRPFBAXPWWAS-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2c(C)noc2C)[C@H](C)C1 ZINC000090728035 375025314 /nfs/dbraw/zinc/02/53/14/375025314.db2.gz BBDLXBPPRXYTLE-LALPHHSUSA-N 2 0 279.428 2.715 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000090937038 375035497 /nfs/dbraw/zinc/03/54/97/375035497.db2.gz DYKDXVMTZUOTHT-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP COCc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253573 375098256 /nfs/dbraw/zinc/09/82/56/375098256.db2.gz KFWMMCFZLCDAJR-QGZVFWFLSA-N 2 0 276.424 2.607 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)CC2 ZINC000092835316 375162888 /nfs/dbraw/zinc/16/28/88/375162888.db2.gz UJEGGOFWHSZTHG-INIZCTEOSA-N 2 0 276.424 2.860 20 0 CFADRP C1=C(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)COCC1 ZINC000093016796 375175291 /nfs/dbraw/zinc/17/52/91/375175291.db2.gz JAXYHHPGIZMGKB-KRWDZBQOSA-N 2 0 292.467 2.921 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000092565962 375125276 /nfs/dbraw/zinc/12/52/76/375125276.db2.gz ZHNSMHHOAZYOPQ-IKGGRYGDSA-N 2 0 294.483 2.903 20 0 CFADRP C(COC1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461497 375246019 /nfs/dbraw/zinc/24/60/19/375246019.db2.gz QHRKQNMRZVQAAF-BBWFWOEESA-N 2 0 280.456 2.846 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000093693158 375300235 /nfs/dbraw/zinc/30/02/35/375300235.db2.gz XPHIXEVXQVILRK-AWEZNQCLSA-N 2 0 286.423 2.727 20 0 CFADRP C1=CC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000093734940 375302677 /nfs/dbraw/zinc/30/26/77/375302677.db2.gz GRMYDDGBPQMHDE-QGZVFWFLSA-N 2 0 292.467 2.920 20 0 CFADRP CC(C)Oc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000093861160 375323292 /nfs/dbraw/zinc/32/32/92/375323292.db2.gz OGYMXELQMGPOPG-UHFFFAOYSA-N 2 0 264.413 2.891 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000093516413 375261659 /nfs/dbraw/zinc/26/16/59/375261659.db2.gz HNEBHUOXFTXNSB-ZBFHGGJFSA-N 2 0 261.413 2.790 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1nccs1 ZINC000093516442 375261726 /nfs/dbraw/zinc/26/17/26/375261726.db2.gz PNFBHJSMNAYHAK-QWHCGFSZSA-N 2 0 267.442 2.586 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[NH+]1CCC(C)CC1 ZINC000093515967 375262054 /nfs/dbraw/zinc/26/20/54/375262054.db2.gz ULDZQOAXYWHPLF-IAGOWNOFSA-N 2 0 281.488 2.619 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000093977910 375333893 /nfs/dbraw/zinc/33/38/93/375333893.db2.gz MUAPBOGGVMNDLW-NUEKZKHPSA-N 2 0 274.408 2.973 20 0 CFADRP Fc1cccc(F)c1C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021573 375335730 /nfs/dbraw/zinc/33/57/30/375335730.db2.gz KHMGCUYOJWNWSC-UHFFFAOYSA-N 2 0 280.362 2.929 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CC2CCCCCC2)CC1 ZINC000094069906 375338445 /nfs/dbraw/zinc/33/84/45/375338445.db2.gz VDHAAIRNBBUAIQ-UHFFFAOYSA-N 2 0 268.445 2.787 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CCSC2)CC1 ZINC000495157411 246857961 /nfs/dbraw/zinc/85/79/61/246857961.db2.gz OTAMUTVXLCOQCF-ZDUSSCGKSA-N 2 0 256.459 2.546 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519062 375364312 /nfs/dbraw/zinc/36/43/12/375364312.db2.gz UGHNKSPMVBBVMT-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000094827360 375384932 /nfs/dbraw/zinc/38/49/32/375384932.db2.gz WYIVGPLRUGYRRV-LLVKDONJSA-N 2 0 256.340 2.957 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678301929 542003103 /nfs/dbraw/zinc/00/31/03/542003103.db2.gz GDOYVPKUTQFFCQ-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]1C[C@H](C)C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000500128289 247093090 /nfs/dbraw/zinc/09/30/90/247093090.db2.gz XXCRVKNJZKSDPT-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000513495151 247222974 /nfs/dbraw/zinc/22/29/74/247222974.db2.gz LYNYTIDQSKUWDN-BPQIPLTHSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000513495154 247223209 /nfs/dbraw/zinc/22/32/09/247223209.db2.gz LYNYTIDQSKUWDN-NXHRZFHOSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000678598618 542049473 /nfs/dbraw/zinc/04/94/73/542049473.db2.gz SZMUGDGQHKCVAF-FVQBIDKESA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000678598616 542049529 /nfs/dbraw/zinc/04/95/29/542049529.db2.gz SZMUGDGQHKCVAF-BMFZPTHFSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111695797 375864068 /nfs/dbraw/zinc/86/40/68/375864068.db2.gz FPZFSHVIAJZQMR-ZIAGYGMSSA-N 2 0 262.397 2.563 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000113513679 376020268 /nfs/dbraw/zinc/02/02/68/376020268.db2.gz HROYTSGEJWHAQN-GOSISDBHSA-N 2 0 290.451 2.519 20 0 CFADRP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000115519873 376136891 /nfs/dbraw/zinc/13/68/91/376136891.db2.gz CCSSXUSOULPZKJ-UHFFFAOYSA-N 2 0 299.418 2.518 20 0 CFADRP C[N@H+](CCCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843377 376318911 /nfs/dbraw/zinc/31/89/11/376318911.db2.gz HTNPYGRFKTUQTG-KRWDZBQOSA-N 2 0 260.425 2.893 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843441 376320206 /nfs/dbraw/zinc/32/02/06/376320206.db2.gz FIQBINCOKQKGDH-BRWVUGGUSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000118967046 376330081 /nfs/dbraw/zinc/33/00/81/376330081.db2.gz WLQGEDCUBUQSLS-SZMVWBNQSA-N 2 0 289.467 2.528 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC[N@@H+]1C ZINC000119223478 376375703 /nfs/dbraw/zinc/37/57/03/376375703.db2.gz IGOJXWOEKLOKHO-QAPCUYQASA-N 2 0 298.434 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H](C)C1 ZINC000119643431 376446778 /nfs/dbraw/zinc/44/67/78/376446778.db2.gz MMPLPXRNXSAHIH-WBVHZDCISA-N 2 0 298.434 2.692 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120910523 376719436 /nfs/dbraw/zinc/71/94/36/376719436.db2.gz WYAKBSGVJKRVLR-UKRRQHHQSA-N 2 0 295.496 2.591 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCOC1 ZINC000120954776 376731017 /nfs/dbraw/zinc/73/10/17/376731017.db2.gz GOEKJKKVHCQCQG-WMLDXEAASA-N 2 0 294.414 2.792 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000678929880 542094392 /nfs/dbraw/zinc/09/43/92/542094392.db2.gz BGTXGLDXCHSEPL-CQSZACIVSA-N 2 0 264.438 2.921 20 0 CFADRP CCCc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000678942171 542098082 /nfs/dbraw/zinc/09/80/82/542098082.db2.gz YVNVDZQLFQPGEJ-UHFFFAOYSA-N 2 0 258.409 2.991 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000678992636 542106253 /nfs/dbraw/zinc/10/62/53/542106253.db2.gz MSEKDPLGUZCMLS-CHWSQXEVSA-N 2 0 293.480 2.936 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000121376839 376817575 /nfs/dbraw/zinc/81/75/75/376817575.db2.gz XJMYBXDSZHJTLZ-ZBFHGGJFSA-N 2 0 293.455 2.512 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cnn(C)c1 ZINC000121650292 376876468 /nfs/dbraw/zinc/87/64/68/376876468.db2.gz OVBCTMZWHOYENY-INIZCTEOSA-N 2 0 278.444 2.583 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000187671436 284608247 /nfs/dbraw/zinc/60/82/47/284608247.db2.gz VITFUXQBIKYNPF-ZFWWWQNUSA-N 2 0 278.444 2.946 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000123603908 376959499 /nfs/dbraw/zinc/95/94/99/376959499.db2.gz LUTORWNIHBVZDY-AAEUAGOBSA-N 2 0 258.365 2.910 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000123662589 376965315 /nfs/dbraw/zinc/96/53/15/376965315.db2.gz MIRYACDDAPQHGE-OAHLLOKOSA-N 2 0 268.376 2.510 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000124525300 377058374 /nfs/dbraw/zinc/05/83/74/377058374.db2.gz RUKLPKOYIYTTNJ-OAHLLOKOSA-N 2 0 293.455 2.512 20 0 CFADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000124770424 377087222 /nfs/dbraw/zinc/08/72/22/377087222.db2.gz HDXUSRHFVGFHAC-KRWDZBQOSA-N 2 0 293.499 2.715 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CCC2CCCCC2)CC1 ZINC000125296802 377138260 /nfs/dbraw/zinc/13/82/60/377138260.db2.gz OBWSBJWRYGVRBZ-UHFFFAOYSA-N 2 0 268.445 2.787 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](COC)C(C)C)CC1 ZINC000126342584 377223307 /nfs/dbraw/zinc/22/33/07/377223307.db2.gz BEONNFBFWNVAHP-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000125972451 377204021 /nfs/dbraw/zinc/20/40/21/377204021.db2.gz LIGMHKCVBNGBGS-KBPBESRZSA-N 2 0 258.450 2.613 20 0 CFADRP Cc1ccc(OCCCN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000128292807 377329362 /nfs/dbraw/zinc/32/93/62/377329362.db2.gz FYBMNAOZGUKWIK-SJORKVTESA-N 2 0 288.435 2.899 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129544159 377442721 /nfs/dbraw/zinc/44/27/21/377442721.db2.gz DBCJBCQUSNDYPA-RRFJBIMHSA-N 2 0 292.423 2.535 20 0 CFADRP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000129228824 377400753 /nfs/dbraw/zinc/40/07/53/377400753.db2.gz LWQVTACDZYPGPR-NSHDSACASA-N 2 0 256.752 2.711 20 0 CFADRP COC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000129926000 377489936 /nfs/dbraw/zinc/48/99/36/377489936.db2.gz AMIBAWCFRMKTGB-LXPRWKDFSA-N 2 0 288.435 2.808 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000679392784 542185750 /nfs/dbraw/zinc/18/57/50/542185750.db2.gz QFLPVQVJSGTHPG-CRAIPNDOSA-N 2 0 286.419 2.841 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130524985 377570256 /nfs/dbraw/zinc/57/02/56/377570256.db2.gz JLLMPROUOXVXIO-XQQFMLRXSA-N 2 0 250.411 2.616 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000679397006 542187867 /nfs/dbraw/zinc/18/78/67/542187867.db2.gz YMFPYTINMLJREX-UHFFFAOYSA-N 2 0 262.397 2.556 20 0 CFADRP COc1ccc(CC[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000130900773 377628315 /nfs/dbraw/zinc/62/83/15/377628315.db2.gz XZZAHSMREDXXOX-MRXNPFEDSA-N 2 0 264.413 2.543 20 0 CFADRP c1ccc2[nH]c(CN3CC[C@@H](Oc4ccncc4)C3)nc2c1 ZINC000131924408 377780532 /nfs/dbraw/zinc/78/05/32/377780532.db2.gz FOXYCNRTYRPRBP-CQSZACIVSA-N 2 0 294.358 2.611 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c2ccccc2n1 ZINC000131761011 377757585 /nfs/dbraw/zinc/75/75/85/377757585.db2.gz MDULLOXDOGBDKI-UONOGXRCSA-N 2 0 269.392 2.712 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132454923 377841326 /nfs/dbraw/zinc/84/13/26/377841326.db2.gz WLPROQYBPGOYNN-WMZOPIPTSA-N 2 0 289.467 2.833 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)CC(C)C ZINC000132920603 377887570 /nfs/dbraw/zinc/88/75/70/377887570.db2.gz YLEOOSCAQQFHSW-YESZJQIVSA-N 2 0 283.504 2.673 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132645166 377861594 /nfs/dbraw/zinc/86/15/94/377861594.db2.gz UFIUTWRDNHHHRV-HNNXBMFYSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000133383513 377925340 /nfs/dbraw/zinc/92/53/40/377925340.db2.gz OHJWCHLQAGLSBR-OLZOCXBDSA-N 2 0 295.496 2.913 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000133988958 377973578 /nfs/dbraw/zinc/97/35/78/377973578.db2.gz CHCKUFGNIIKBKX-CVEARBPZSA-N 2 0 268.445 2.537 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000134722368 378045134 /nfs/dbraw/zinc/04/51/34/378045134.db2.gz WWRMJXBTCYQLAK-KRWDZBQOSA-N 2 0 293.499 2.667 20 0 CFADRP c1ccc([C@H]2C[C@@H]2C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000135611206 378150138 /nfs/dbraw/zinc/15/01/38/378150138.db2.gz PNDDXOVDEDUMPA-IAGOWNOFSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135880933 378166515 /nfs/dbraw/zinc/16/65/15/378166515.db2.gz MHXPFJWWSYQUNQ-JQWIXIFHSA-N 2 0 272.314 2.875 20 0 CFADRP FC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000148641245 378258947 /nfs/dbraw/zinc/25/89/47/378258947.db2.gz IQKPDHKDIPYSRZ-TUAOUCFPSA-N 2 0 264.335 2.839 20 0 CFADRP CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000151828411 378362479 /nfs/dbraw/zinc/36/24/79/378362479.db2.gz RTKPTNJTHZEEBJ-SWLSCSKDSA-N 2 0 273.380 2.602 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCCC2)CC1 ZINC000151417101 378325644 /nfs/dbraw/zinc/32/56/44/378325644.db2.gz ULYSOKCHYLEQDA-UHFFFAOYSA-N 2 0 287.451 2.814 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152449155 378416900 /nfs/dbraw/zinc/41/69/00/378416900.db2.gz RJMGKEROUZBASS-RHSMWYFYSA-N 2 0 286.419 2.974 20 0 CFADRP CC[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000151900154 378370856 /nfs/dbraw/zinc/37/08/56/378370856.db2.gz JEYQNIHIZGGGIE-FUHWJXTLSA-N 2 0 289.467 2.753 20 0 CFADRP CC[C@@H](COC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000152858901 378452588 /nfs/dbraw/zinc/45/25/88/378452588.db2.gz VBLRQAYICTXCQM-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ncccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152688760 378439567 /nfs/dbraw/zinc/43/95/67/378439567.db2.gz AAMIOSLOYDMBRZ-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1F ZINC000154335284 378558697 /nfs/dbraw/zinc/55/86/97/378558697.db2.gz ZIUNCPORFQGESS-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000157840910 378659617 /nfs/dbraw/zinc/65/96/17/378659617.db2.gz GWOHSFNXIKHBBA-MSOLQXFVSA-N 2 0 288.435 2.979 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000157894124 378660788 /nfs/dbraw/zinc/66/07/88/378660788.db2.gz HHQPBOANVXRETK-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)C2CCCC2)CC1 ZINC000159208529 378692304 /nfs/dbraw/zinc/69/23/04/378692304.db2.gz DOTJNFPUIPUBMK-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H]2CCSC2)ccc1F ZINC000278508407 194017824 /nfs/dbraw/zinc/01/78/24/194017824.db2.gz OONRFRJRGWIMJM-CYBMUJFWSA-N 2 0 282.428 2.730 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cccn1C ZINC000161662460 378864301 /nfs/dbraw/zinc/86/43/01/378864301.db2.gz BXGXQNZZAUFAOB-HNNXBMFYSA-N 2 0 263.429 2.769 20 0 CFADRP COc1cc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1C ZINC000161715863 378867029 /nfs/dbraw/zinc/86/70/29/378867029.db2.gz FAFJOAXDYHOSNF-UXLLHSPISA-N 2 0 290.451 2.864 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000161950312 378883665 /nfs/dbraw/zinc/88/36/65/378883665.db2.gz RUYXKNCJQFJBBO-STQMWFEESA-N 2 0 267.442 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162265391 378904741 /nfs/dbraw/zinc/90/47/41/378904741.db2.gz OHMLKYSMWAQXMM-AWEZNQCLSA-N 2 0 268.445 2.750 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000334207376 378925826 /nfs/dbraw/zinc/92/58/26/378925826.db2.gz JOLHRNBZRDBNCZ-INIZCTEOSA-N 2 0 288.435 2.680 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000334213612 378934476 /nfs/dbraw/zinc/93/44/76/378934476.db2.gz SHTHQEJIQRLVDQ-TZMCWYRMSA-N 2 0 255.365 2.926 20 0 CFADRP CCCc1csc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000459792523 535452150 /nfs/dbraw/zinc/45/21/50/535452150.db2.gz SFMIRQSPCUOLDH-CYBMUJFWSA-N 2 0 281.469 2.917 20 0 CFADRP Fc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278542681 194035005 /nfs/dbraw/zinc/03/50/05/194035005.db2.gz XQDAZUAFVIQUIF-UHFFFAOYSA-N 2 0 262.372 2.790 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000353525072 284728123 /nfs/dbraw/zinc/72/81/23/284728123.db2.gz FNMLZVSWCDWUOU-VXLLPVPCSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163396334 378970308 /nfs/dbraw/zinc/97/03/08/378970308.db2.gz ZHVDPWFGZYMBRI-MDZLAQPJSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000434766998 296285035 /nfs/dbraw/zinc/28/50/35/296285035.db2.gz QRWPRLRARQCQAH-BSWAZPDLSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@H]1CCN(Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000163819665 378991886 /nfs/dbraw/zinc/99/18/86/378991886.db2.gz MFEABKBLPXXJFW-RYUDHWBXSA-N 2 0 281.469 2.857 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c2ccccc2n1 ZINC000335282887 379024692 /nfs/dbraw/zinc/02/46/92/379024692.db2.gz XYGDXWZGWCRMBF-NVXWUHKLSA-N 2 0 269.392 2.903 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089147741 284738538 /nfs/dbraw/zinc/73/85/38/284738538.db2.gz PWHBIWNWQVDWOZ-QAPCUYQASA-N 3 0 289.467 2.745 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000166038620 379048979 /nfs/dbraw/zinc/04/89/79/379048979.db2.gz WKNISCJDUNCWQP-WMLDXEAASA-N 2 0 294.439 2.703 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000166356718 379053119 /nfs/dbraw/zinc/05/31/19/379053119.db2.gz MRSZGIZOQAVSJI-GKLJAUDBSA-N 2 0 258.409 2.992 20 0 CFADRP Cc1cccc2ncc(CN3CC[C@@H]([NH+]4CCCCC4)C3)n21 ZINC000335320048 379081878 /nfs/dbraw/zinc/08/18/78/379081878.db2.gz YRUQMCAEKRYXOF-MRXNPFEDSA-N 2 0 298.434 2.703 20 0 CFADRP c1ccc2sc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)nc2c1 ZINC000334414905 379258836 /nfs/dbraw/zinc/25/88/36/379258836.db2.gz MRUAGLINUQSACJ-UHFFFAOYSA-N 2 0 287.432 2.872 20 0 CFADRP CCN(CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)CC(C)C ZINC000422831715 284773643 /nfs/dbraw/zinc/77/36/43/284773643.db2.gz UACJJPBNNIARRQ-OFLPRAFFSA-N 2 0 283.504 2.850 20 0 CFADRP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335543008 379483681 /nfs/dbraw/zinc/48/36/81/379483681.db2.gz KNAMLYSTPAIZKM-DLBZAZTESA-N 2 0 274.408 2.557 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccs1)CC[NH2+]CC2 ZINC000335543978 379484757 /nfs/dbraw/zinc/48/47/57/379484757.db2.gz OUSSCCTVWBFDPI-GFCCVEGCSA-N 2 0 250.411 2.712 20 0 CFADRP COC1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335594011 379578709 /nfs/dbraw/zinc/57/87/09/379578709.db2.gz FNKBGGBINSZKGS-TUHYSUIHSA-N 2 0 260.381 2.678 20 0 CFADRP [NH3+]CC1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000334587536 379581284 /nfs/dbraw/zinc/58/12/84/379581284.db2.gz OZFCFSAPGPQAGQ-UHFFFAOYSA-N 2 0 274.195 2.559 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1F ZINC000335637155 379640314 /nfs/dbraw/zinc/64/03/14/379640314.db2.gz WPNOJPKGACVTDW-QWHCGFSZSA-N 2 0 280.362 2.786 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccncc4)c3)C[C@@H]2C1 ZINC000334642565 379692545 /nfs/dbraw/zinc/69/25/45/379692545.db2.gz RCFBKTDZIUQATF-KDURUIRLSA-N 2 0 293.414 2.742 20 0 CFADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000334655724 379717621 /nfs/dbraw/zinc/71/76/21/379717621.db2.gz SXSPCOHGNIGBHC-CVEARBPZSA-N 2 0 287.407 2.526 20 0 CFADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000334655725 379717775 /nfs/dbraw/zinc/71/77/75/379717775.db2.gz SXSPCOHGNIGBHC-HOTGVXAUSA-N 2 0 287.407 2.526 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000173385868 379732588 /nfs/dbraw/zinc/73/25/88/379732588.db2.gz CKHJJFVUAJKAQJ-IRXDYDNUSA-N 2 0 289.467 2.611 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000173889459 379794884 /nfs/dbraw/zinc/79/48/84/379794884.db2.gz HOMACKPACYRZQR-QGZVFWFLSA-N 2 0 260.425 2.893 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698573 379786388 /nfs/dbraw/zinc/78/63/88/379786388.db2.gz KNLZAMMWLCDEKN-MMIPBJDJSA-N 3 0 293.499 2.889 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC2(CCC2)CC1 ZINC000334732881 379843855 /nfs/dbraw/zinc/84/38/55/379843855.db2.gz YZIAQDDHGXFEJN-CQSZACIVSA-N 2 0 268.470 2.832 20 0 CFADRP COC[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000174020151 379815530 /nfs/dbraw/zinc/81/55/30/379815530.db2.gz KDXLJPRKNWNKSM-CYBMUJFWSA-N 2 0 282.453 2.585 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000335750423 379828452 /nfs/dbraw/zinc/82/84/52/379828452.db2.gz YVDCPFQKRNFPRW-HUUCEWRRSA-N 2 0 282.391 2.808 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)c1 ZINC000334765436 379908523 /nfs/dbraw/zinc/90/85/23/379908523.db2.gz YENHXRCTSPREFK-RBUKOAKNSA-N 2 0 293.414 2.932 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)c1 ZINC000334765433 379909520 /nfs/dbraw/zinc/90/95/20/379909520.db2.gz YENHXRCTSPREFK-MOPGFXCFSA-N 2 0 293.414 2.932 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000334842014 379930016 /nfs/dbraw/zinc/93/00/16/379930016.db2.gz IRXXUYUWXJCRGE-AWEZNQCLSA-N 2 0 250.773 2.669 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C)o2)CC1 ZINC000174551690 379907341 /nfs/dbraw/zinc/90/73/41/379907341.db2.gz OVDDJIMRJHJWAW-UHFFFAOYSA-N 2 0 250.386 2.800 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)CC1 ZINC000334852850 379931919 /nfs/dbraw/zinc/93/19/19/379931919.db2.gz BBZOYEWQTBLKCE-UMQBVGHOSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000334867991 379936676 /nfs/dbraw/zinc/93/66/76/379936676.db2.gz HNKBCXBIBAHPSC-KGLIPLIRSA-N 2 0 279.453 2.724 20 0 CFADRP C1CC2(CCCC2)[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335037041 379961362 /nfs/dbraw/zinc/96/13/62/379961362.db2.gz ZURUDRDKSVGQOA-JCYILVPMSA-N 2 0 291.483 2.515 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335217362 380024743 /nfs/dbraw/zinc/02/47/43/380024743.db2.gz MNEUWQPENWFICH-PBHICJAKSA-N 2 0 274.408 2.804 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000335235044 380055494 /nfs/dbraw/zinc/05/54/94/380055494.db2.gz CZMPJUUOSSDZPF-ZWKOTPCHSA-N 2 0 288.435 2.713 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000335238080 380060710 /nfs/dbraw/zinc/06/07/10/380060710.db2.gz KBLLEFIGVQSXNA-IRXDYDNUSA-N 2 0 292.398 2.544 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335248770 380078923 /nfs/dbraw/zinc/07/89/23/380078923.db2.gz BODDYWJMNODDTR-ZDUSSCGKSA-N 2 0 258.365 2.973 20 0 CFADRP CCC(CC)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432364899 383742586 /nfs/dbraw/zinc/74/25/86/383742586.db2.gz NSTPQAZKJCBUGI-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1C[C@H](NCc2sccc2Br)CC[NH2+]1 ZINC000335256824 380093399 /nfs/dbraw/zinc/09/33/99/380093399.db2.gz GILSKKRZKMLPOK-RKDXNWHRSA-N 2 0 289.242 2.741 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000175720873 380120125 /nfs/dbraw/zinc/12/01/25/380120125.db2.gz ARCYYMKLQWAWRL-RHSMWYFYSA-N 2 0 288.435 2.784 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000336021876 380249616 /nfs/dbraw/zinc/24/96/16/380249616.db2.gz QOVZBRYILVFQSC-ROUUACIJSA-N 2 0 293.414 2.790 20 0 CFADRP Clc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)s1 ZINC000336005060 380224651 /nfs/dbraw/zinc/22/46/51/380224651.db2.gz HVAKSNQHNMIBKH-QMMMGPOBSA-N 2 0 267.785 2.772 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000336229017 380291472 /nfs/dbraw/zinc/29/14/72/380291472.db2.gz PIKYUIDRAFQLLB-ZDUSSCGKSA-N 2 0 296.336 2.943 20 0 CFADRP CC(C)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177495918 380347399 /nfs/dbraw/zinc/34/73/99/380347399.db2.gz JADWRMPTJVOCCA-IYBDPMFKSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)CCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000177505985 380349378 /nfs/dbraw/zinc/34/93/78/380349378.db2.gz OTDOUZXVWJBGAI-MRXNPFEDSA-N 2 0 269.477 2.525 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000178400149 380448339 /nfs/dbraw/zinc/44/83/39/380448339.db2.gz WOPAGGZWVYVFBW-SWLSCSKDSA-N 2 0 280.460 2.746 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]C(C2CC2)C2CC2)C[C@@H](C)O1 ZINC000178034961 380403463 /nfs/dbraw/zinc/40/34/63/380403463.db2.gz KGYJOGHTYWBZOH-ZIAGYGMSSA-N 2 0 280.456 2.654 20 0 CFADRP Fc1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178968472 380495823 /nfs/dbraw/zinc/49/58/23/380495823.db2.gz LMOZBKCMLUTEST-UHFFFAOYSA-N 2 0 292.398 2.669 20 0 CFADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000178981516 380498370 /nfs/dbraw/zinc/49/83/70/380498370.db2.gz OCNOGXSNXMOFQD-GOSISDBHSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1Cl ZINC000336583442 380503407 /nfs/dbraw/zinc/50/34/07/380503407.db2.gz GQONHWRCDATHSC-YPMHNXCESA-N 2 0 252.789 2.818 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000178731797 380480990 /nfs/dbraw/zinc/48/09/90/380480990.db2.gz VIFJUFSOZDSCSK-CYBMUJFWSA-N 2 0 278.444 2.501 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OC)cc1 ZINC000336786181 380632186 /nfs/dbraw/zinc/63/21/86/380632186.db2.gz BGIONHWVIOCOHF-SWLSCSKDSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000336678824 380591042 /nfs/dbraw/zinc/59/10/42/380591042.db2.gz IKBJCEZHKYTPDD-ZJUUUORDSA-N 2 0 271.202 2.695 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000180455733 380662321 /nfs/dbraw/zinc/66/23/21/380662321.db2.gz XHPINYSEOQSBNF-RBSFLKMASA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000336811206 380672097 /nfs/dbraw/zinc/67/20/97/380672097.db2.gz LOKJGYGLXUFAIZ-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCN(C)c1ccccc1 ZINC000336812635 380673034 /nfs/dbraw/zinc/67/30/34/380673034.db2.gz ATHYMLHNMBUCOA-HNNXBMFYSA-N 2 0 263.429 2.620 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000336818020 380680631 /nfs/dbraw/zinc/68/06/31/380680631.db2.gz SVOFPMUJMHIFQO-VXGBXAGGSA-N 2 0 264.369 2.583 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2ccccc12 ZINC000336818730 380682156 /nfs/dbraw/zinc/68/21/56/380682156.db2.gz WUDJBLFVJROYDP-ZDUSSCGKSA-N 2 0 259.397 2.818 20 0 CFADRP Cc1ccnc(C)c1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000287385699 380819793 /nfs/dbraw/zinc/81/97/93/380819793.db2.gz CKFUEZDEAFPUGR-TZMCWYRMSA-N 2 0 290.411 2.645 20 0 CFADRP CC(C)c1nc(C2([NH2+]CC3CC[NH2+]CC3)CCCC2)no1 ZINC000346997934 380862743 /nfs/dbraw/zinc/86/27/43/380862743.db2.gz YDEYNRYQOJJYFK-UHFFFAOYSA-N 2 0 292.427 2.552 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000346999152 380862839 /nfs/dbraw/zinc/86/28/39/380862839.db2.gz ZTCOHFKXMHHGFM-GOSISDBHSA-N 2 0 290.451 2.662 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000347000641 380866115 /nfs/dbraw/zinc/86/61/15/380866115.db2.gz GQJVEBMQBMFXGU-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400750305 380866624 /nfs/dbraw/zinc/86/66/24/380866624.db2.gz VJHJZPGLLJHVTJ-VHRBIJSZSA-N 2 0 252.427 2.718 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H](C)C1 ZINC000401015725 380866824 /nfs/dbraw/zinc/86/68/24/380866824.db2.gz ISOFNPLEOAWRJQ-GEONZQJFSA-N 2 0 250.430 2.789 20 0 CFADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000347001359 380866781 /nfs/dbraw/zinc/86/67/81/380866781.db2.gz RVRYIVCDWZZOAO-UHFFFAOYSA-N 2 0 298.471 2.818 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401016418 380867196 /nfs/dbraw/zinc/86/71/96/380867196.db2.gz OMVFGNRFDKABQV-LJISPDSOSA-N 2 0 274.408 2.734 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400955629 380867557 /nfs/dbraw/zinc/86/75/57/380867557.db2.gz JJMPNGCYGUDWTG-DZJNRPSUSA-N 2 0 272.436 2.904 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347010176 380876500 /nfs/dbraw/zinc/87/65/00/380876500.db2.gz GBOVQZIYBGNVJX-RYUDHWBXSA-N 2 0 290.436 2.697 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000347011369 380876940 /nfs/dbraw/zinc/87/69/40/380876940.db2.gz JSNQWYOPUIWKRR-HUUCEWRRSA-N 2 0 297.487 2.534 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1(CC)CC ZINC000346976847 380838416 /nfs/dbraw/zinc/83/84/16/380838416.db2.gz KHFREAHWWCHWEJ-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc(F)c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000295420293 380841212 /nfs/dbraw/zinc/84/12/12/380841212.db2.gz SEJKVZVCLGXVPS-LBPRGKRZSA-N 2 0 289.354 2.937 20 0 CFADRP Fc1cccc(CC[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000346985595 380849636 /nfs/dbraw/zinc/84/96/36/380849636.db2.gz PKQKQYNCOSDWDM-HNNXBMFYSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000347015482 380879326 /nfs/dbraw/zinc/87/93/26/380879326.db2.gz JOMRABROWNILTI-GOEBONIOSA-N 2 0 298.434 2.646 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000346991459 380855031 /nfs/dbraw/zinc/85/50/31/380855031.db2.gz XFAXKMNYJBACLB-UONOGXRCSA-N 2 0 299.503 2.636 20 0 CFADRP C[C@H]([NH2+]Cc1ccn(C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358489684 380879620 /nfs/dbraw/zinc/87/96/20/380879620.db2.gz YFLCPTQVZSPRSF-GOEBONIOSA-N 2 0 275.440 2.768 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400426593 380859736 /nfs/dbraw/zinc/85/97/36/380859736.db2.gz YVYLEYWMAWNYEL-CRAIPNDOSA-N 2 0 289.467 2.759 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368009636 380882291 /nfs/dbraw/zinc/88/22/91/380882291.db2.gz XOAOYULJMGSBBH-CAOSSQGBSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccccc1/C=C/C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347089445 380929875 /nfs/dbraw/zinc/92/98/75/380929875.db2.gz DXQPTQFQHMLTOI-HZRUHFOJSA-N 2 0 274.408 2.768 20 0 CFADRP Cc1sccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000295489860 380891489 /nfs/dbraw/zinc/89/14/89/380891489.db2.gz XPDZWGPSINIOAV-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000341276719 380894444 /nfs/dbraw/zinc/89/44/44/380894444.db2.gz KLNRYCOSJGESNH-CYBMUJFWSA-N 2 0 250.386 2.673 20 0 CFADRP Cc1cccnc1CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000404636613 380905758 /nfs/dbraw/zinc/90/57/58/380905758.db2.gz ZZXOSBMQMRFJBY-RDJZCZTQSA-N 2 0 267.376 2.667 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000341299532 380914405 /nfs/dbraw/zinc/91/44/05/380914405.db2.gz DCLOIHFJRVUBGL-MRXNPFEDSA-N 2 0 292.471 2.970 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000347064336 380916495 /nfs/dbraw/zinc/91/64/95/380916495.db2.gz JSNJGPAQJMDXDE-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000347066396 380918534 /nfs/dbraw/zinc/91/85/34/380918534.db2.gz ZQSFCTQBOSFVDX-HNNXBMFYSA-N 2 0 298.471 2.630 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000347065334 380918897 /nfs/dbraw/zinc/91/88/97/380918897.db2.gz KKNAKJVDRQYXMS-OCCSQVGLSA-N 2 0 298.377 2.890 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCNc2ccccn2)C1(C)C ZINC000181867191 380922294 /nfs/dbraw/zinc/92/22/94/380922294.db2.gz UOHJMNOMFUYSMY-KGLIPLIRSA-N 2 0 277.412 2.677 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1 ZINC000295577075 380951980 /nfs/dbraw/zinc/95/19/80/380951980.db2.gz DLDVRNLVGXHULP-HZPDHXFCSA-N 2 0 294.464 2.524 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049267774 412937504 /nfs/dbraw/zinc/93/75/04/412937504.db2.gz YSPVJUYLEUXUFF-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cs1 ZINC000295594208 380963277 /nfs/dbraw/zinc/96/32/77/380963277.db2.gz CGSNVJUNDVMABB-HNNXBMFYSA-N 2 0 264.438 2.974 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000353928145 380963638 /nfs/dbraw/zinc/96/36/38/380963638.db2.gz BQJNHVNNDISZIS-ZDUSSCGKSA-N 2 0 270.461 2.615 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000353934740 380970742 /nfs/dbraw/zinc/97/07/42/380970742.db2.gz XVYZIEUJELAQGM-UHFFFAOYSA-N 2 0 298.471 2.820 20 0 CFADRP C[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000182053840 380975749 /nfs/dbraw/zinc/97/57/49/380975749.db2.gz RSYFVTOUQREAGN-QGZVFWFLSA-N 2 0 290.451 2.567 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347178074 380986421 /nfs/dbraw/zinc/98/64/21/380986421.db2.gz SBHRWJZXOKMCKQ-LLVKDONJSA-N 2 0 290.798 2.511 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2cccc(OCC)n2)C1 ZINC000354011624 381018080 /nfs/dbraw/zinc/01/80/80/381018080.db2.gz VQLGXYLUUUESJM-OAHLLOKOSA-N 2 0 291.439 2.644 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000347233506 381018610 /nfs/dbraw/zinc/01/86/10/381018610.db2.gz YVJHROURHHLLBX-ZDUSSCGKSA-N 2 0 292.423 2.653 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccncc2C)CC1 ZINC000295689586 381018689 /nfs/dbraw/zinc/01/86/89/381018689.db2.gz LOQTVHVEULTFQK-UHFFFAOYSA-N 2 0 261.413 2.602 20 0 CFADRP CC(C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368451779 381030129 /nfs/dbraw/zinc/03/01/29/381030129.db2.gz VIORBEYZSUDQPK-YYIAUSFCSA-N 2 0 282.472 2.758 20 0 CFADRP CO[C@H](C)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000182119248 380994356 /nfs/dbraw/zinc/99/43/56/380994356.db2.gz LMOJHYLWDGNDBX-MRXNPFEDSA-N 2 0 290.451 2.865 20 0 CFADRP COC1CC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000347195666 380996896 /nfs/dbraw/zinc/99/68/96/380996896.db2.gz IXDXELWGSPAGCJ-UHFFFAOYSA-N 2 0 288.435 2.940 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000347201507 381000087 /nfs/dbraw/zinc/00/00/87/381000087.db2.gz KANUMNXNOUTOEW-YJBOKZPZSA-N 3 0 298.434 2.692 20 0 CFADRP C[C@H](CC[NH+](C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000358668677 381003594 /nfs/dbraw/zinc/00/35/94/381003594.db2.gz SRGQJIPQVRDCGW-OAHLLOKOSA-N 2 0 281.488 2.713 20 0 CFADRP CC(C)SCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000368577793 381071648 /nfs/dbraw/zinc/07/16/48/381071648.db2.gz YBOTZFKRWKSZPB-UHFFFAOYSA-N 2 0 293.480 2.777 20 0 CFADRP C[C@H](C[NH2+]C1(CN(C)C)CCC1)CC1CCOCC1 ZINC000341472571 381032464 /nfs/dbraw/zinc/03/24/64/381032464.db2.gz CQEMQDWBXYQNJT-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2occc2C)C1 ZINC000354106232 381083645 /nfs/dbraw/zinc/08/36/45/381083645.db2.gz IDUKFGXUIMQTHJ-HNNXBMFYSA-N 2 0 280.412 2.521 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000182522852 381106806 /nfs/dbraw/zinc/10/68/06/381106806.db2.gz HINQRJQFKWCGDQ-CQSZACIVSA-N 2 0 284.444 2.572 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1Cl ZINC000354172818 381119169 /nfs/dbraw/zinc/11/91/69/381119169.db2.gz RDDCGNSMILGXKU-QWHCGFSZSA-N 2 0 279.815 2.964 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CC[C@@H]2CCCCO2)CC1 ZINC000347394056 381120621 /nfs/dbraw/zinc/12/06/21/381120621.db2.gz ONNIIKPRBWKTKT-INIZCTEOSA-N 2 0 268.445 2.750 20 0 CFADRP Cc1ncsc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354100751 381078961 /nfs/dbraw/zinc/07/89/61/381078961.db2.gz ONOGMCDUGDRZRB-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP COC1CC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000347423042 381142426 /nfs/dbraw/zinc/14/24/26/381142426.db2.gz SIWKUUPSEMOASN-OOHWJJMZSA-N 2 0 276.424 2.664 20 0 CFADRP CC[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182753675 381150156 /nfs/dbraw/zinc/15/01/56/381150156.db2.gz KYEWTWALGWIEHJ-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368878182 381155450 /nfs/dbraw/zinc/15/54/50/381155450.db2.gz YUPOGMXNRSKMMQ-APRRPJGKSA-N 2 0 286.419 2.925 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCCO2)C[C@@H]1C ZINC000347449636 381159348 /nfs/dbraw/zinc/15/93/48/381159348.db2.gz XHSDZQJCLOWPGH-HRCADAONSA-N 2 0 268.445 2.750 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2CCCCO2)C[C@H]1C ZINC000347449641 381159945 /nfs/dbraw/zinc/15/99/45/381159945.db2.gz XHSDZQJCLOWPGH-PMPSAXMXSA-N 2 0 268.445 2.750 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CC)CCOCC2)[C@H](C)C1 ZINC000347408728 381131564 /nfs/dbraw/zinc/13/15/64/381131564.db2.gz GWBKRJKFSUPRIQ-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@H]1CC[N@H+](CCCc2cnccc2C)[C@@H](C)C1 ZINC000289853042 381187469 /nfs/dbraw/zinc/18/74/69/381187469.db2.gz VLUZDSUZOVSFMV-HOCLYGCPSA-N 2 0 262.397 2.822 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000289868852 381195094 /nfs/dbraw/zinc/19/50/94/381195094.db2.gz RDRYFCWWFNCSMT-ZFWWWQNUSA-N 2 0 296.480 2.882 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289868828 381195433 /nfs/dbraw/zinc/19/54/33/381195433.db2.gz RDRYFCWWFNCSMT-DZGCQCFKSA-N 2 0 296.480 2.882 20 0 CFADRP CC[C@@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)c1nccn1C ZINC000183365124 381262209 /nfs/dbraw/zinc/26/22/09/381262209.db2.gz LBQNREJQRHTAIN-HZPDHXFCSA-N 2 0 292.471 2.829 20 0 CFADRP Fc1cccc(O[C@H]2CCN(CCC[NH+]3CCCC3)C2)c1 ZINC000183368892 381262340 /nfs/dbraw/zinc/26/23/40/381262340.db2.gz IFSQFCXGEPUQOX-KRWDZBQOSA-N 2 0 292.398 2.765 20 0 CFADRP CC/C=C/CC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000342230111 381223906 /nfs/dbraw/zinc/22/39/06/381223906.db2.gz LYGGKXXGWVQOKQ-WAVCKPEOSA-N 2 0 268.445 2.775 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000183184651 381228679 /nfs/dbraw/zinc/22/86/79/381228679.db2.gz JHFBTENVUTVEFA-BFYDXBDKSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183233650 381241697 /nfs/dbraw/zinc/24/16/97/381241697.db2.gz JGJMRRAMONCFCD-AWEZNQCLSA-N 2 0 298.471 2.817 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2c(C)cc(OC)nc2C)CC1 ZINC000359243779 381306037 /nfs/dbraw/zinc/30/60/37/381306037.db2.gz XGEKLKNEQSOQKG-UHFFFAOYSA-N 2 0 291.439 2.623 20 0 CFADRP Cc1nc(C)c(C)c(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000369556243 381286599 /nfs/dbraw/zinc/28/65/99/381286599.db2.gz KILLLHZHCMTGFY-UHFFFAOYSA-N 2 0 274.412 2.831 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH+](CC)CC1 ZINC000354467099 381290227 /nfs/dbraw/zinc/29/02/27/381290227.db2.gz RSDSLFQWKLPGTQ-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000183616291 381294414 /nfs/dbraw/zinc/29/44/14/381294414.db2.gz CXAHVQFBSAYKQY-ROUUACIJSA-N 2 0 295.515 2.915 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000290108300 381301753 /nfs/dbraw/zinc/30/17/53/381301753.db2.gz IKTUTRZTKIAEJO-ILXRZTDVSA-N 2 0 294.439 2.701 20 0 CFADRP CCC[C@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000354492505 381302565 /nfs/dbraw/zinc/30/25/65/381302565.db2.gz CCEQRJKZXNZYCT-PMRDEQMMSA-N 2 0 282.472 2.996 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000354460175 381284765 /nfs/dbraw/zinc/28/47/65/381284765.db2.gz KXMVQLBBMWXUIV-NXOAAHMSSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CN(C)Cc1ccccc1)[NH2+]C[C@@H]1CCCOC1 ZINC000342424012 381324903 /nfs/dbraw/zinc/32/49/03/381324903.db2.gz DITRYCNOUZMKEK-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000359290899 381330593 /nfs/dbraw/zinc/33/05/93/381330593.db2.gz CGLFZULZPADMSS-BPUTZDHNSA-N 2 0 273.424 2.921 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000354544129 381331851 /nfs/dbraw/zinc/33/18/51/381331851.db2.gz GLYQRTZTNLWCIF-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000354549213 381333381 /nfs/dbraw/zinc/33/33/81/381333381.db2.gz NOGLOHDNYCGTDI-OAHLLOKOSA-N 2 0 298.471 2.533 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2sccc2C)[C@H](C)C1 ZINC000359337798 381359874 /nfs/dbraw/zinc/35/98/74/381359874.db2.gz IETFHXXZOKVTAQ-ZIAGYGMSSA-N 2 0 266.454 2.919 20 0 CFADRP Cc1[nH+]c2ccccc2c(NCC2=CC[N@H+](C)CC2)c1C ZINC000354597317 381360146 /nfs/dbraw/zinc/36/01/46/381360146.db2.gz HVNMDXLBTJZCDK-UHFFFAOYSA-N 2 0 281.403 2.947 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000359344468 381365277 /nfs/dbraw/zinc/36/52/77/381365277.db2.gz PQHBSZVZEUYEFF-STQMWFEESA-N 2 0 252.427 2.529 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296421416 381388271 /nfs/dbraw/zinc/38/82/71/381388271.db2.gz LKBDOWHKMSIQEJ-AVAUJXNBSA-N 2 0 288.435 2.977 20 0 CFADRP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370159230 381395379 /nfs/dbraw/zinc/39/53/79/381395379.db2.gz BRVJCKGMGWTYKK-TZMCWYRMSA-N 2 0 294.468 2.607 20 0 CFADRP COC[C@H]1CCCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000342560883 381397607 /nfs/dbraw/zinc/39/76/07/381397607.db2.gz AJKVTXGMCWIFTP-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000359489067 381432924 /nfs/dbraw/zinc/43/29/24/381432924.db2.gz PXEXRNFQPFRSIZ-CQSZACIVSA-N 2 0 269.392 2.801 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2)CC[N@@H+]1C ZINC000359516030 381446091 /nfs/dbraw/zinc/44/60/91/381446091.db2.gz KJQNRUYRSVLOGA-ZBFHGGJFSA-N 2 0 278.465 2.992 20 0 CFADRP C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000348287935 381480613 /nfs/dbraw/zinc/48/06/13/381480613.db2.gz IROIFSUJPORONB-JFIYKMOQSA-N 2 0 289.467 2.579 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2cccnc2)C1 ZINC000370471125 381453650 /nfs/dbraw/zinc/45/36/50/381453650.db2.gz RBWITMYJZJOACO-OAHLLOKOSA-N 2 0 282.391 2.674 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]Cc2csc(C)c2)CC1 ZINC000296601499 381466869 /nfs/dbraw/zinc/46/68/69/381466869.db2.gz YLSPZRMEYBVZBL-UHFFFAOYSA-N 2 0 295.496 2.564 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000290530973 381467404 /nfs/dbraw/zinc/46/74/04/381467404.db2.gz ZIYKERIWDPJZBC-INIZCTEOSA-N 2 0 292.398 2.593 20 0 CFADRP Cc1c[nH+]ccc1NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000359607219 381503647 /nfs/dbraw/zinc/50/36/47/381503647.db2.gz ZQLFDWYWKRTBKU-OAHLLOKOSA-N 2 0 261.413 2.734 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1cccs1 ZINC000370758468 381507593 /nfs/dbraw/zinc/50/75/93/381507593.db2.gz SZNZVZJWWPORGD-GDBMZVCRSA-N 2 0 292.448 2.677 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000370717475 381498082 /nfs/dbraw/zinc/49/80/82/381498082.db2.gz UUOGYYCLUBJDNU-ZWKOTPCHSA-N 2 0 293.499 2.811 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](COC)CC(C)C)CC1 ZINC000359628727 381520289 /nfs/dbraw/zinc/52/02/89/381520289.db2.gz FSYCANTTZKHFNY-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP CN(C)Cc1cnc(CN2CCCC3(CCC3)C2)s1 ZINC000348348895 381522964 /nfs/dbraw/zinc/52/29/64/381522964.db2.gz VMKXMGNHQJDBQB-UHFFFAOYSA-N 2 0 279.453 2.971 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccnc1 ZINC000185059663 381524750 /nfs/dbraw/zinc/52/47/50/381524750.db2.gz RKUPLUBDFLJCTN-GDBMZVCRSA-N 2 0 261.413 2.854 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)COC)[C@H](C)C1 ZINC000348413026 381557031 /nfs/dbraw/zinc/55/70/31/381557031.db2.gz OUDQMDXYFJMKEX-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414081184 381559391 /nfs/dbraw/zinc/55/93/91/381559391.db2.gz DVHZWVHMGSFLGD-GJZGRUSLSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414081188 381559791 /nfs/dbraw/zinc/55/97/91/381559791.db2.gz DVHZWVHMGSFLGD-LSDHHAIUSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000414188385 381569062 /nfs/dbraw/zinc/56/90/62/381569062.db2.gz QQIQUXYAASZBSM-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP CSC1(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000348441192 381571261 /nfs/dbraw/zinc/57/12/61/381571261.db2.gz UHASXPWHTZPNPM-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414755061 381602647 /nfs/dbraw/zinc/60/26/47/381602647.db2.gz OOXHGKVBICMOAD-CABCVRRESA-N 2 0 256.434 2.641 20 0 CFADRP C(C1CCCCC1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783245 381604985 /nfs/dbraw/zinc/60/49/85/381604985.db2.gz PRTLPUKDXCUHIC-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CC2 ZINC000414801582 381605596 /nfs/dbraw/zinc/60/55/96/381605596.db2.gz LYWCIUICXXPZKW-QGPMSJSTSA-N 2 0 288.435 2.660 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414784174 381605835 /nfs/dbraw/zinc/60/58/35/381605835.db2.gz QVZVUVMUEFYMDC-OWCLPIDISA-N 2 0 280.456 2.500 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]c(C)c2Cl)C[C@@H]1C ZINC000355090989 381606046 /nfs/dbraw/zinc/60/60/46/381606046.db2.gz HUEIARZKQZKCSC-WDEREUQCSA-N 2 0 267.804 2.962 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C2 ZINC000414811009 381607274 /nfs/dbraw/zinc/60/72/74/381607274.db2.gz VVRVQJPCWOZNRJ-YQQAZPJKSA-N 2 0 288.435 2.660 20 0 CFADRP COC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCCC1 ZINC000359745669 381591699 /nfs/dbraw/zinc/59/16/99/381591699.db2.gz FUMFXKDDMJWGKG-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1 ZINC000414652221 381597020 /nfs/dbraw/zinc/59/70/20/381597020.db2.gz GPRSQPSTDFIRST-XIRDDKMYSA-N 2 0 258.409 2.777 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000414885703 381609777 /nfs/dbraw/zinc/60/97/77/381609777.db2.gz XFCRUCVKCTZPGH-LBPRGKRZSA-N 2 0 264.438 2.811 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856533 381609891 /nfs/dbraw/zinc/60/98/91/381609891.db2.gz OFSUTSYKFBSICC-GMTAPVOTSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@]1(C[NH2+]C2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000414917005 381611576 /nfs/dbraw/zinc/61/15/76/381611576.db2.gz QTXGBTDHBFCNSX-SFHVURJKSA-N 2 0 287.451 2.635 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000414927255 381615267 /nfs/dbraw/zinc/61/52/67/381615267.db2.gz ONAUSCOFLIYBCO-CHWSQXEVSA-N 2 0 266.360 2.584 20 0 CFADRP CC[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+](CC)CC ZINC000359803830 381618385 /nfs/dbraw/zinc/61/83/85/381618385.db2.gz VKKCXUZQJMUZLW-CABCVRRESA-N 2 0 299.503 2.589 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414929449 381618683 /nfs/dbraw/zinc/61/86/83/381618683.db2.gz RKPKQSQWHWJTIF-HUUCEWRRSA-N 2 0 262.397 2.833 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414931962 381622659 /nfs/dbraw/zinc/62/26/59/381622659.db2.gz CDIGLBYRQOUSOY-DDBAPUKQSA-N 2 0 272.436 2.985 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]C2(C)CC[NH2+]CC2)cc1F ZINC000414931760 381623021 /nfs/dbraw/zinc/62/30/21/381623021.db2.gz CAJIPEOEHFMPKG-ZDUSSCGKSA-N 2 0 294.414 2.745 20 0 CFADRP CC1([NH2+]CCCCOc2ccccc2)CC[NH2+]CC1 ZINC000414933923 381624460 /nfs/dbraw/zinc/62/44/60/381624460.db2.gz FBMBEEDWWAGJDJ-UHFFFAOYSA-N 2 0 262.397 2.577 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414934568 381625044 /nfs/dbraw/zinc/62/50/44/381625044.db2.gz FGLUMRXWCNXGIP-DJIMGWMZSA-N 2 0 260.425 2.985 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414936357 381627116 /nfs/dbraw/zinc/62/71/16/381627116.db2.gz ZGASAXABZZKDKC-CWRNSKLLSA-N 2 0 276.424 2.876 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414944077 381634394 /nfs/dbraw/zinc/63/43/94/381634394.db2.gz NFULOPQURGHVBC-BFYDXBDKSA-N 2 0 276.424 2.537 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944318 381635479 /nfs/dbraw/zinc/63/54/79/381635479.db2.gz GPBUQYXWWBZCOW-YRGRVCCFSA-N 2 0 252.427 2.799 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2)CC[NH2+]1 ZINC000414946020 381636079 /nfs/dbraw/zinc/63/60/79/381636079.db2.gz JEOQEPVWTZEZID-HIFRSBDPSA-N 2 0 264.438 2.650 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414945290 381636204 /nfs/dbraw/zinc/63/62/04/381636204.db2.gz PWMDCCSSMHRVBE-ROUUACIJSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CC[NH2+]1 ZINC000414946998 381637892 /nfs/dbraw/zinc/63/78/92/381637892.db2.gz KFCPQUHKCQHXEU-RDTXWAMCSA-N 2 0 281.403 2.979 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947020 381637993 /nfs/dbraw/zinc/63/79/93/381637993.db2.gz KHMLWIBUVRLKBJ-AXFHLTTASA-N 2 0 252.324 2.838 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000414941256 381631363 /nfs/dbraw/zinc/63/13/63/381631363.db2.gz LHMCKONXYPFOQK-IAQYHMDHSA-N 2 0 284.806 2.999 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCc2ccccc2F)CCC[NH2+]1 ZINC000414955433 381647702 /nfs/dbraw/zinc/64/77/02/381647702.db2.gz NAECPLBHCWEXRU-RHSMWYFYSA-N 2 0 294.414 2.505 20 0 CFADRP c1csc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000359864992 381648846 /nfs/dbraw/zinc/64/88/46/381648846.db2.gz CQFAFDLMSXSPGX-UHFFFAOYSA-N 2 0 294.464 2.682 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414956587 381649667 /nfs/dbraw/zinc/64/96/67/381649667.db2.gz NOUNHUMWMKYESZ-PBHICJAKSA-N 2 0 276.424 2.809 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)CCc2cccc(F)c2)CCC[NH2+]1 ZINC000414947742 381639462 /nfs/dbraw/zinc/63/94/62/381639462.db2.gz VXHDQCSKBMOKQR-RHSMWYFYSA-N 2 0 294.414 2.505 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000414947794 381639590 /nfs/dbraw/zinc/63/95/90/381639590.db2.gz WWXARRZFFSJCMH-ZFWWWQNUSA-N 2 0 264.438 2.507 20 0 CFADRP COC[C@@]1(C[NH2+]CC[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414951047 381643463 /nfs/dbraw/zinc/64/34/63/381643463.db2.gz GHBVZNRQBMFTMK-RDJZCZTQSA-N 2 0 276.424 2.538 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)CC[NH2+]1 ZINC000414952877 381645264 /nfs/dbraw/zinc/64/52/64/381645264.db2.gz RDMAYHXWEZDZIT-ZRNPCAPESA-N 2 0 266.335 2.708 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414966337 381662072 /nfs/dbraw/zinc/66/20/72/381662072.db2.gz WKGOMOUPLIQJEY-BBRMVZONSA-N 2 0 262.397 2.561 20 0 CFADRP c1cc(CCC[NH2+]CCC[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000414966233 381662419 /nfs/dbraw/zinc/66/24/19/381662419.db2.gz OHPOVVNEHJRGIJ-KRWDZBQOSA-N 2 0 288.435 2.676 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@H]1COc2ccccc21 ZINC000185553881 381664789 /nfs/dbraw/zinc/66/47/89/381664789.db2.gz DPXRESWMOMPUHS-OFQRWUPVSA-N 2 0 274.408 2.625 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H](C)C1 ZINC000348678798 381664725 /nfs/dbraw/zinc/66/47/25/381664725.db2.gz HKVNZOVDFPYRJA-XKGSQUFQSA-N 2 0 264.335 2.647 20 0 CFADRP CC[C@@H]([NH3+])CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414974533 381669381 /nfs/dbraw/zinc/66/93/81/381669381.db2.gz DRUJOGZKOJDAEU-OAHLLOKOSA-N 2 0 295.858 2.631 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976352 381671089 /nfs/dbraw/zinc/67/10/89/381671089.db2.gz PQAZXUKVJHUHJR-CYBMUJFWSA-N 2 0 284.350 2.910 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414976929 381671408 /nfs/dbraw/zinc/67/14/08/381671408.db2.gz QTGDOQORSKZCNW-MRXNPFEDSA-N 2 0 284.407 2.699 20 0 CFADRP CN1CC[C@H]([NH2+]CCc2ccccn2)[C@H]1c1ccccc1 ZINC000298555612 381671940 /nfs/dbraw/zinc/67/19/40/381671940.db2.gz OSDLSTYJOFBJPU-ZWKOTPCHSA-N 2 0 281.403 2.659 20 0 CFADRP c1cn(-c2csc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000414978166 381672432 /nfs/dbraw/zinc/67/24/32/381672432.db2.gz SHPZVBLONCHKFG-CYBMUJFWSA-N 2 0 290.436 2.556 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000414958699 381652288 /nfs/dbraw/zinc/65/22/88/381652288.db2.gz RPZQDEOEXLKQQX-YOEHRIQHSA-N 2 0 294.414 2.505 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414959258 381653412 /nfs/dbraw/zinc/65/34/12/381653412.db2.gz XCYBXQYXBWSVTG-SQWLQELKSA-N 2 0 276.424 2.746 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000415016556 381709780 /nfs/dbraw/zinc/70/97/80/381709780.db2.gz CVDRJJHEPWRZHB-CHWSQXEVSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1ccccc1F ZINC000415021968 381714938 /nfs/dbraw/zinc/71/49/38/381714938.db2.gz ZBICGIDVIFBKJX-STQMWFEESA-N 2 0 252.377 2.864 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000415021376 381715269 /nfs/dbraw/zinc/71/52/69/381715269.db2.gz YLEXFUSIZJNHSH-GFCCVEGCSA-N 2 0 290.436 2.812 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415020497 381715338 /nfs/dbraw/zinc/71/53/38/381715338.db2.gz GMSBQMLAONAXGW-SHTZXODSSA-N 3 0 281.488 2.604 20 0 CFADRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1C ZINC000415020839 381715433 /nfs/dbraw/zinc/71/54/33/381715433.db2.gz XTZGOAXEEMCAQC-CYBMUJFWSA-N 2 0 250.386 2.611 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414979592 381675144 /nfs/dbraw/zinc/67/51/44/381675144.db2.gz VOFFACHDZRHMPB-INIZCTEOSA-N 2 0 276.424 2.952 20 0 CFADRP COCC1(C[NH2+]C2CCC(C)(C)CC2)CC[NH2+]CC1 ZINC000414981350 381675526 /nfs/dbraw/zinc/67/55/26/381675526.db2.gz XGUPACGFOOWNNV-UHFFFAOYSA-N 2 0 268.445 2.561 20 0 CFADRP Fc1ccc(F)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414980434 381675579 /nfs/dbraw/zinc/67/55/79/381675579.db2.gz WVZPXESRMUTFIV-ZDUSSCGKSA-N 2 0 254.324 2.587 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355204814 381675650 /nfs/dbraw/zinc/67/56/50/381675650.db2.gz SBFZXSXSNWCUFP-DJIMGWMZSA-N 2 0 258.409 2.754 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H](C)C1 ZINC000414980078 381675680 /nfs/dbraw/zinc/67/56/80/381675680.db2.gz OVSAPSUWYNZNNE-WMLDXEAASA-N 2 0 287.451 2.865 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414981811 381676833 /nfs/dbraw/zinc/67/68/33/381676833.db2.gz XLNSTMVZVDWINF-LSDHHAIUSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414985747 381679420 /nfs/dbraw/zinc/67/94/20/381679420.db2.gz HVWKSYYNOBORDZ-DZGCQCFKSA-N 2 0 291.439 2.854 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2csc(C3CC3)n2)C1 ZINC000414995573 381688008 /nfs/dbraw/zinc/68/80/08/381688008.db2.gz NNPVRZIXZASVJZ-PWSUYJOCSA-N 2 0 265.426 2.628 20 0 CFADRP CC(C)c1ncc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414998985 381691805 /nfs/dbraw/zinc/69/18/05/381691805.db2.gz RJDPRWHJHLFXGR-NEPJUHHUSA-N 2 0 267.442 2.874 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000415001692 381694359 /nfs/dbraw/zinc/69/43/59/381694359.db2.gz VLRLIEMVJIBWIO-MWLCHTKSSA-N 2 0 272.314 2.711 20 0 CFADRP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415003141 381694488 /nfs/dbraw/zinc/69/44/88/381694488.db2.gz WTQBYLQKBNMEHE-HIFRSBDPSA-N 2 0 262.397 2.611 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000415001875 381695155 /nfs/dbraw/zinc/69/51/55/381695155.db2.gz YSBULCORPSUFQP-DOOHLRMFSA-N 2 0 296.361 2.894 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000415004632 381696035 /nfs/dbraw/zinc/69/60/35/381696035.db2.gz YKQWJUDBYGXSIC-BBRMVZONSA-N 2 0 284.407 2.684 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415004701 381696430 /nfs/dbraw/zinc/69/64/30/381696430.db2.gz IBZJFAYOHBUOGW-QWHCGFSZSA-N 2 0 293.480 2.918 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000415005142 381697803 /nfs/dbraw/zinc/69/78/03/381697803.db2.gz OZKPUUDUPBVRGH-HOCLYGCPSA-N 2 0 290.455 2.533 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415008024 381701322 /nfs/dbraw/zinc/70/13/22/381701322.db2.gz MBQBBVLYOOYZMM-LSDHHAIUSA-N 2 0 264.800 2.818 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C2 ZINC000415008540 381701829 /nfs/dbraw/zinc/70/18/29/381701829.db2.gz MUIIGBPOXRIVMA-IXDOHACOSA-N 2 0 290.838 2.785 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000415010886 381704012 /nfs/dbraw/zinc/70/40/12/381704012.db2.gz HIGBMGUSGMBVEV-KBPBESRZSA-N 2 0 250.386 2.561 20 0 CFADRP CCCc1csc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415010023 381705120 /nfs/dbraw/zinc/70/51/20/381705120.db2.gz UQGKAXFKKOFZPF-VXGBXAGGSA-N 2 0 267.442 2.703 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ncc(Br)s1 ZINC000415012886 381706300 /nfs/dbraw/zinc/70/63/00/381706300.db2.gz JNIDXKBDWLQAKC-QMMMGPOBSA-N 2 0 292.246 2.513 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000415012839 381706427 /nfs/dbraw/zinc/70/64/27/381706427.db2.gz XSDUMYIWJDBZLA-BHYGNILZSA-N 2 0 260.425 2.972 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415014562 381708061 /nfs/dbraw/zinc/70/80/61/381708061.db2.gz LQURSYFOSMNUBX-HZSPNIEDSA-N 2 0 291.439 2.852 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000415040207 381728350 /nfs/dbraw/zinc/72/83/50/381728350.db2.gz OQAMKSFOFBSWFK-HZPDHXFCSA-N 2 0 276.424 2.953 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000415038889 381728879 /nfs/dbraw/zinc/72/88/79/381728879.db2.gz NUIGPZKSNOGCNY-OCCSQVGLSA-N 2 0 271.364 2.559 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415041900 381730141 /nfs/dbraw/zinc/73/01/41/381730141.db2.gz QGIPVLBICILKIF-INWMFGNUSA-N 2 0 264.388 2.864 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1SC ZINC000415042845 381730425 /nfs/dbraw/zinc/73/04/25/381730425.db2.gz RILISMZXXMVVDI-AAEUAGOBSA-N 2 0 280.437 2.634 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H](C)C1 ZINC000415043644 381730458 /nfs/dbraw/zinc/73/04/58/381730458.db2.gz WHHDASHZTKXCLC-YOEHRIQHSA-N 2 0 287.451 2.865 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000415044744 381733529 /nfs/dbraw/zinc/73/35/29/381733529.db2.gz BUTGLDXIYPYUSI-QGTPRVQTSA-N 2 0 289.467 2.569 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc[nH]c2)[C@@H]1c1cccs1 ZINC000360023059 381733421 /nfs/dbraw/zinc/73/34/21/381733421.db2.gz QXVBAYSJWSITRP-UKRRQHHQSA-N 2 0 275.421 2.859 20 0 CFADRP C[C@@H](Cc1ccccc1F)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047601 381733962 /nfs/dbraw/zinc/73/39/62/381733962.db2.gz BIGCLIGWSPXSQM-DVOMOZLQSA-N 2 0 264.388 2.673 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCCCC1 ZINC000360024073 381734117 /nfs/dbraw/zinc/73/41/17/381734117.db2.gz NCXOTLYKUUPPGK-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CC1 ZINC000360025425 381734511 /nfs/dbraw/zinc/73/45/11/381734511.db2.gz YHGXAQAJUULYBG-OAHLLOKOSA-N 3 0 293.499 2.571 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Br ZINC000415047375 381734812 /nfs/dbraw/zinc/73/48/12/381734812.db2.gz VZUNJKHHHMTUGX-YPMHNXCESA-N 2 0 297.240 2.975 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Br ZINC000415047372 381735262 /nfs/dbraw/zinc/73/52/62/381735262.db2.gz VZUNJKHHHMTUGX-AAEUAGOBSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1nc2ccc(C[NH2+]CCC[NH2+]C3CC3)cc2s1 ZINC000415072250 381758697 /nfs/dbraw/zinc/75/86/97/381758697.db2.gz VYBSPVQNACETRD-UHFFFAOYSA-N 2 0 275.421 2.836 20 0 CFADRP CC[NH+](CC1(C[N@@H+](CC)C2CCC2)COC1)C1CCC1 ZINC000360028430 381737862 /nfs/dbraw/zinc/73/78/62/381737862.db2.gz UKHYSKHRAMVCFD-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP COc1c(C)cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1C ZINC000415057829 381742712 /nfs/dbraw/zinc/74/27/12/381742712.db2.gz UMWZJXZLNLMUHF-RHSMWYFYSA-N 2 0 276.424 2.729 20 0 CFADRP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1C ZINC000415058217 381744400 /nfs/dbraw/zinc/74/44/00/381744400.db2.gz VFWBUDGZVHBGKF-IAGOWNOFSA-N 2 0 288.435 2.968 20 0 CFADRP Clc1ccc([C@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415058848 381744510 /nfs/dbraw/zinc/74/45/10/381744510.db2.gz ITJDCLCESDSRKG-LJIZCISZSA-N 2 0 276.811 2.784 20 0 CFADRP C[C@H]1[C@@H](Nc2cc[nH+]c3ccccc23)CCC[N@@H+]1C ZINC000343488669 381746315 /nfs/dbraw/zinc/74/63/15/381746315.db2.gz ZBIBIHZKBXJDDH-JSGCOSHPSA-N 2 0 255.365 2.551 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060485 381746483 /nfs/dbraw/zinc/74/64/83/381746483.db2.gz WYQDIOBWTRBYMH-FAEJEUNOSA-N 2 0 293.499 2.761 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360044001 381747645 /nfs/dbraw/zinc/74/76/45/381747645.db2.gz AVZDNMMNOGKUAG-CXAGYDPISA-N 2 0 286.419 2.756 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348874010 381751174 /nfs/dbraw/zinc/75/11/74/381751174.db2.gz GYNWGKITUMUWSG-NAZJXLNTSA-N 2 0 294.483 2.996 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000348874295 381751583 /nfs/dbraw/zinc/75/15/83/381751583.db2.gz HOHQFHBAXUJNOF-JWTNVVGKSA-N 2 0 287.451 2.880 20 0 CFADRP COc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1SC ZINC000415069526 381752899 /nfs/dbraw/zinc/75/28/99/381752899.db2.gz OUSPDUMNTJNCKE-UHFFFAOYSA-N 2 0 280.437 2.649 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCCC[NH2+]C2)cc1F ZINC000415070642 381756704 /nfs/dbraw/zinc/75/67/04/381756704.db2.gz IUCAVBJQNXZFMB-UKRRQHHQSA-N 2 0 294.414 2.745 20 0 CFADRP CCc1ncc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000415025472 381718600 /nfs/dbraw/zinc/71/86/00/381718600.db2.gz QCRMSXLBRQYEGZ-HAQNSBGRSA-N 2 0 267.442 2.560 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000415027375 381719704 /nfs/dbraw/zinc/71/97/04/381719704.db2.gz WNUGYNCJIJELCX-BFYDXBDKSA-N 3 0 281.488 2.747 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415027050 381720194 /nfs/dbraw/zinc/72/01/94/381720194.db2.gz VTKFHGLCJZTJFY-CQSZACIVSA-N 2 0 264.413 2.938 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415027244 381720290 /nfs/dbraw/zinc/72/02/90/381720290.db2.gz ASFASRVWMKCBAY-NUEKZKHPSA-N 2 0 276.424 2.733 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415028432 381721150 /nfs/dbraw/zinc/72/11/50/381721150.db2.gz CUHZOCWLHXDNER-JKSUJKDBSA-N 2 0 298.434 2.706 20 0 CFADRP COc1ccc2nc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)sc2c1 ZINC000415031544 381722981 /nfs/dbraw/zinc/72/29/81/381722981.db2.gz HAFFNALMZZCBCE-QWRGUYRKSA-N 2 0 291.420 2.522 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(Cl)c1OC ZINC000415034103 381724654 /nfs/dbraw/zinc/72/46/54/381724654.db2.gz JIVDFOQSIPOZCR-CMPLNLGQSA-N 2 0 298.814 2.574 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415037352 381726405 /nfs/dbraw/zinc/72/64/05/381726405.db2.gz MDVYYRCXQNLMNS-PWSUYJOCSA-N 2 0 298.814 2.574 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000415037455 381726826 /nfs/dbraw/zinc/72/68/26/381726826.db2.gz MKOQECIKCSJANI-CHWSQXEVSA-N 2 0 284.350 2.548 20 0 CFADRP Cc1cnc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000185763593 381727000 /nfs/dbraw/zinc/72/70/00/381727000.db2.gz LFCYLJDUQOASHK-KBPBESRZSA-N 2 0 277.412 2.726 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000415037807 381726911 /nfs/dbraw/zinc/72/69/11/381726911.db2.gz MMTJHYCJMWPJAI-KSSFIOAISA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000415036589 381726922 /nfs/dbraw/zinc/72/69/22/381726922.db2.gz LPVNJQBXFMMKSY-MWLCHTKSSA-N 2 0 256.752 2.696 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415036538 381727025 /nfs/dbraw/zinc/72/70/25/381727025.db2.gz LLKGCTCCONXIKS-JKSUJKDBSA-N 2 0 276.424 2.938 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415098894 381782090 /nfs/dbraw/zinc/78/20/90/381782090.db2.gz GBAMPGGTAMXUPX-RYUDHWBXSA-N 2 0 268.351 2.658 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415103260 381783051 /nfs/dbraw/zinc/78/30/51/381783051.db2.gz CZKHLXFECACVRJ-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000415104869 381784079 /nfs/dbraw/zinc/78/40/79/381784079.db2.gz LODGUWKZUKRRDZ-DRRXZNNHSA-N 2 0 292.467 2.844 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343543843 381785643 /nfs/dbraw/zinc/78/56/43/381785643.db2.gz WZYUIHXHRTZBOT-GJZGRUSLSA-N 2 0 298.471 2.913 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415107886 381787038 /nfs/dbraw/zinc/78/70/38/381787038.db2.gz PPSSRGHTFGVWDA-VXGBXAGGSA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)(C)c1cccc(OCC[NH2+]CC2CC[NH2+]CC2)c1 ZINC000415113781 381788242 /nfs/dbraw/zinc/78/82/42/381788242.db2.gz SMYPCTVZJFOVEK-UHFFFAOYSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2cnccc2C(C)(C)C)CC[NH2+]1 ZINC000415119370 381790419 /nfs/dbraw/zinc/79/04/19/381790419.db2.gz HSTRSBHZYZEVSZ-UONOGXRCSA-N 2 0 275.440 2.857 20 0 CFADRP CCn1c2ccccc2nc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000415118384 381790901 /nfs/dbraw/zinc/79/09/01/381790901.db2.gz WMAYVNCHEMDFSR-CYBMUJFWSA-N 2 0 286.423 2.706 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000372338940 381792773 /nfs/dbraw/zinc/79/27/73/381792773.db2.gz SOEBUIDHTMVUMV-VDHUWJSZSA-N 2 0 294.483 2.923 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415123367 381794604 /nfs/dbraw/zinc/79/46/04/381794604.db2.gz JKKVIZRVEAWXTR-BBRMVZONSA-N 2 0 276.424 2.674 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CC=CCC1 ZINC000349022688 381795985 /nfs/dbraw/zinc/79/59/85/381795985.db2.gz DFXVMMOMXBJZNA-ZWKOTPCHSA-N 2 0 293.499 2.691 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343561071 381798327 /nfs/dbraw/zinc/79/83/27/381798327.db2.gz ZTRKMFYLKSTRQL-HNNXBMFYSA-N 2 0 278.444 2.546 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000291360154 381761503 /nfs/dbraw/zinc/76/15/03/381761503.db2.gz XYHGIJIMSKWREA-DYVFJYSZSA-N 2 0 274.408 2.701 20 0 CFADRP CCC[C@H](C)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415131194 381798974 /nfs/dbraw/zinc/79/89/74/381798974.db2.gz YSNRZTUEONEIAF-DUVNUKRYSA-N 2 0 264.388 2.988 20 0 CFADRP CC(C)([NH3+])C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000415082551 381767433 /nfs/dbraw/zinc/76/74/33/381767433.db2.gz LYBKNOFWJGXWNH-UHFFFAOYSA-N 2 0 261.196 2.863 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415081609 381768221 /nfs/dbraw/zinc/76/82/21/381768221.db2.gz KMBUMICEXCGIRZ-DZGCQCFKSA-N 2 0 292.423 2.714 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1c(C)noc1C ZINC000415083008 381768306 /nfs/dbraw/zinc/76/83/06/381768306.db2.gz DTSXTLSSLDWOMW-HONMWMINSA-N 2 0 265.401 2.720 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415084196 381769077 /nfs/dbraw/zinc/76/90/77/381769077.db2.gz OLIZTXLKSIRMHB-HOTGVXAUSA-N 2 0 260.425 2.824 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415084009 381769192 /nfs/dbraw/zinc/76/91/92/381769192.db2.gz OOOYFDXYSLMVDI-FUHWJXTLSA-N 3 0 295.515 2.722 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000415084583 381769633 /nfs/dbraw/zinc/76/96/33/381769633.db2.gz OVYOGJIWMOPTDW-WCQYABFASA-N 2 0 282.815 2.969 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415085701 381770876 /nfs/dbraw/zinc/77/08/76/381770876.db2.gz RAAXDQOCNRASDO-GYTBAZASSA-N 2 0 282.472 2.935 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000343523358 381771055 /nfs/dbraw/zinc/77/10/55/381771055.db2.gz FWTRZVWOTYKINF-HNNXBMFYSA-N 2 0 292.398 2.753 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000415085135 381771557 /nfs/dbraw/zinc/77/15/57/381771557.db2.gz HYCYGETYDUPDFA-NEPJUHHUSA-N 2 0 284.806 2.999 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000415085811 381771563 /nfs/dbraw/zinc/77/15/63/381771563.db2.gz RBQAANQLWWJNNL-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP Clc1ccccc1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415085578 381772150 /nfs/dbraw/zinc/77/21/50/381772150.db2.gz IKCVSYOTHCLLIF-ZDUSSCGKSA-N 2 0 252.789 2.614 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000415086916 381773032 /nfs/dbraw/zinc/77/30/32/381773032.db2.gz VIRJGUONBHHLCW-FHERZECASA-N 2 0 276.424 2.869 20 0 CFADRP C[C@]1(C[NH2+]CCOc2cccc3ccccc32)CC[NH2+]C1 ZINC000415087556 381773652 /nfs/dbraw/zinc/77/36/52/381773652.db2.gz KXSXRLOSRIXKID-SFHVURJKSA-N 2 0 284.403 2.808 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415090060 381775423 /nfs/dbraw/zinc/77/54/23/381775423.db2.gz ZRYDUBCOPOWBNF-GOEBONIOSA-N 2 0 276.424 2.748 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415091692 381777191 /nfs/dbraw/zinc/77/71/91/381777191.db2.gz ZPUYGBXVKYMGFJ-UONOGXRCSA-N 2 0 264.388 2.654 20 0 CFADRP CC(C)[C@H]([NH2+]CC[NH2+]C(C)(C)C)C1(CO)CCCC1 ZINC000415100744 381781092 /nfs/dbraw/zinc/78/10/92/381781092.db2.gz HFDLKDBFUPSXFU-AWEZNQCLSA-N 2 0 270.461 2.541 20 0 CFADRP Cc1ccc(NC(=O)NCC2([NH3+])CCCCCC2)c(C)n1 ZINC000415278887 381822011 /nfs/dbraw/zinc/82/20/11/381822011.db2.gz HKXIJCPIBIKCFY-UHFFFAOYSA-N 2 0 290.411 2.872 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000415134615 381801043 /nfs/dbraw/zinc/80/10/43/381801043.db2.gz OYJADUDRWAOKGY-UHFFFAOYSA-N 2 0 269.392 2.790 20 0 CFADRP Cc1ccoc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000343566534 381801384 /nfs/dbraw/zinc/80/13/84/381801384.db2.gz KATBMXKSMHUMNF-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415137232 381802902 /nfs/dbraw/zinc/80/29/02/381802902.db2.gz YBTQDXZOCIKLJA-JSGCOSHPSA-N 2 0 264.388 2.805 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292879632 381880527 /nfs/dbraw/zinc/88/05/27/381880527.db2.gz DXJPQAFKXMZOKJ-SFHVURJKSA-N 2 0 288.435 2.751 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343677199 381884172 /nfs/dbraw/zinc/88/41/72/381884172.db2.gz CRGKBBWFTBFXHH-OFQRWUPVSA-N 2 0 282.472 2.636 20 0 CFADRP COC1(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCCC1 ZINC000361573339 381847400 /nfs/dbraw/zinc/84/74/00/381847400.db2.gz ZNLZUSHWGSVCRV-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1c[nH+]ccc1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000343643497 381863179 /nfs/dbraw/zinc/86/31/79/381863179.db2.gz DUSZVZBTOGDGRI-KRWDZBQOSA-N 2 0 281.403 2.753 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H](C)[C@H]1CCCOC1)C(C)C ZINC000356866019 381871980 /nfs/dbraw/zinc/87/19/80/381871980.db2.gz LLLRDYHLMFZJDD-CVEARBPZSA-N 2 0 270.461 2.900 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(c3ccnc4ccncc43)C2)C1 ZINC000292905612 381895940 /nfs/dbraw/zinc/89/59/40/381895940.db2.gz WZPJTYCBOXXAPG-QGZVFWFLSA-N 2 0 282.391 2.552 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC1CCCC1 ZINC000349338777 381897587 /nfs/dbraw/zinc/89/75/87/381897587.db2.gz ATXQKEYFRKVYHT-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000349346473 381899319 /nfs/dbraw/zinc/89/93/19/381899319.db2.gz KNEIZDHFMASKTC-UHFFFAOYSA-N 2 0 286.423 2.850 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000356936083 381913152 /nfs/dbraw/zinc/91/31/52/381913152.db2.gz ZSXZPTOPVVBXRS-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000356936077 381913291 /nfs/dbraw/zinc/91/32/91/381913291.db2.gz ZSXZPTOPVVBXRS-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1ccccn1)CC2)C1CC1 ZINC000362106207 381913418 /nfs/dbraw/zinc/91/34/18/381913418.db2.gz NFTNSUKJZULRJF-HNNXBMFYSA-N 2 0 285.435 2.778 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc2c[nH]nc21 ZINC000349388270 381922813 /nfs/dbraw/zinc/92/28/13/381922813.db2.gz YBRSBCIISANMTA-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186590596 381958282 /nfs/dbraw/zinc/95/82/82/381958282.db2.gz MCLRVFAHKGDURH-SJORKVTESA-N 2 0 289.467 2.672 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186601618 381961604 /nfs/dbraw/zinc/96/16/04/381961604.db2.gz UJHHESHMJNDVGM-CPUCHLNUSA-N 2 0 290.451 2.732 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000186509083 381931913 /nfs/dbraw/zinc/93/19/13/381931913.db2.gz JADVJZXNLNRVRS-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP Cc1ccoc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000343771949 381933088 /nfs/dbraw/zinc/93/30/88/381933088.db2.gz VNDSIEOKJPLCQE-HUUCEWRRSA-N 2 0 280.412 2.567 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)OC(C)(C)C)C[C@H]1C ZINC000362180778 381947026 /nfs/dbraw/zinc/94/70/26/381947026.db2.gz JISIRMGZKNBHDF-ZIAGYGMSSA-N 2 0 284.444 2.523 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000356992708 381949032 /nfs/dbraw/zinc/94/90/32/381949032.db2.gz NLDPBPSBTXKMSN-IXDOHACOSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000357000368 381953697 /nfs/dbraw/zinc/95/36/97/381953697.db2.gz VTUWOXPSAFTMME-FGTMMUONSA-N 2 0 294.483 2.855 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000357091632 382004386 /nfs/dbraw/zinc/00/43/86/382004386.db2.gz SVNGESFSKIXQJH-IBGZPJMESA-N 2 0 296.414 2.609 20 0 CFADRP [NH3+]CCOCC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000357093591 382004738 /nfs/dbraw/zinc/00/47/38/382004738.db2.gz WUUBNGQEYDMHMG-UHFFFAOYSA-N 2 0 294.414 2.588 20 0 CFADRP CCOc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357039915 381982846 /nfs/dbraw/zinc/98/28/46/381982846.db2.gz BJXGNGXAVXDEDG-KRWDZBQOSA-N 2 0 288.435 2.907 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000349687160 381985380 /nfs/dbraw/zinc/98/53/80/381985380.db2.gz ZEYISKSTBREYEQ-QAPCUYQASA-N 2 0 290.451 2.868 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1F ZINC000357047309 381987868 /nfs/dbraw/zinc/98/78/68/381987868.db2.gz JFYUKECBEONDLQ-INIZCTEOSA-N 2 0 276.399 2.956 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357057058 381990288 /nfs/dbraw/zinc/99/02/88/381990288.db2.gz TYETWJCXNFOQGG-TZMCWYRMSA-N 2 0 294.826 2.780 20 0 CFADRP Fc1cc(F)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357061290 381992438 /nfs/dbraw/zinc/99/24/38/381992438.db2.gz ZYOOKJNLOFXZQZ-AWEZNQCLSA-N 2 0 280.362 2.786 20 0 CFADRP c1ccc(OCCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357065948 381994067 /nfs/dbraw/zinc/99/40/67/381994067.db2.gz AUNLNRJVMISLBT-KRWDZBQOSA-N 2 0 288.435 2.777 20 0 CFADRP Cc1ccccc1C1CC([N@H+](CCOCC[NH3+])C2CC2)C1 ZINC000357069025 381994756 /nfs/dbraw/zinc/99/47/56/381994756.db2.gz FDTVTRLPLWZXCP-UHFFFAOYSA-N 2 0 288.435 2.681 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CCCCO1)CC2)C1CC1 ZINC000374284839 382041113 /nfs/dbraw/zinc/04/11/13/382041113.db2.gz BABDIYSVBUKYPT-DOTOQJQBSA-N 2 0 292.467 2.752 20 0 CFADRP CCCC[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343974359 382042480 /nfs/dbraw/zinc/04/24/80/382042480.db2.gz GDXPNDHDKRGOPF-AWEZNQCLSA-N 2 0 279.428 2.690 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC1(C)C ZINC000417332468 382043298 /nfs/dbraw/zinc/04/32/98/382043298.db2.gz NXCDFIVQKPHYFZ-HZPDHXFCSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000417333894 382043524 /nfs/dbraw/zinc/04/35/24/382043524.db2.gz ZMTPWUCBWKLJMA-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343979030 382046520 /nfs/dbraw/zinc/04/65/20/382046520.db2.gz IPTDZZCXZDZKQI-GOEBONIOSA-N 2 0 291.439 2.690 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000417348959 382050487 /nfs/dbraw/zinc/05/04/87/382050487.db2.gz ZIUBBABIGHBVGI-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000300011792 382057197 /nfs/dbraw/zinc/05/71/97/382057197.db2.gz ZKFFCFJTVRVVPL-ULQDDVLXSA-N 2 0 292.467 2.942 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000375107646 382066744 /nfs/dbraw/zinc/06/67/44/382066744.db2.gz DNOLSJAIYKCKSH-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343937726 382028903 /nfs/dbraw/zinc/02/89/03/382028903.db2.gz QBDSJKUFIVHRBU-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000417318416 382038683 /nfs/dbraw/zinc/03/86/83/382038683.db2.gz YWRRFWVWNPYXRO-ULQDDVLXSA-N 2 0 295.515 2.674 20 0 CFADRP COc1ccc([C@@H](C)NC[C@@H](C)C[NH+](C)C)c(OC)c1 ZINC000293297398 382068618 /nfs/dbraw/zinc/06/86/18/382068618.db2.gz DOKJVNDMRMIHQW-CHWSQXEVSA-N 2 0 280.412 2.552 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344066102 382104488 /nfs/dbraw/zinc/10/44/88/382104488.db2.gz POWRJTKYPNVTPF-HNNXBMFYSA-N 2 0 295.446 2.702 20 0 CFADRP Cc1cc(NCc2cccc(Cn3ccnc3)c2)ncn1 ZINC000301236017 382115120 /nfs/dbraw/zinc/11/51/20/382115120.db2.gz KFLUBFPDYKHOCY-UHFFFAOYSA-N 2 0 279.347 2.642 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375243464 382074167 /nfs/dbraw/zinc/07/41/67/382074167.db2.gz YGIWDHFSFSBZQZ-HNNXBMFYSA-N 2 0 291.439 2.863 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1(C)C ZINC000344027365 382076158 /nfs/dbraw/zinc/07/61/58/382076158.db2.gz VISJMNWFINBSMR-SOUVJXGZSA-N 2 0 270.461 2.900 20 0 CFADRP CC[N@H+](CCNc1cc[nH+]c2ccccc12)C(C)C ZINC000357281060 382087335 /nfs/dbraw/zinc/08/73/35/382087335.db2.gz YCDBEXODDHCRJM-UHFFFAOYSA-N 2 0 257.381 2.799 20 0 CFADRP CCOC1CC(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000352011300 382126993 /nfs/dbraw/zinc/12/69/93/382126993.db2.gz BBTBWMLAHWMWIW-UIDBIOKJSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000362480210 382092392 /nfs/dbraw/zinc/09/23/92/382092392.db2.gz RDGOUHWUUNMSFC-CVEARBPZSA-N 2 0 290.455 2.744 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CO1 ZINC000417889852 382094301 /nfs/dbraw/zinc/09/43/01/382094301.db2.gz JWMLMYUMPABPRH-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CC1(C)C ZINC000344102622 382129307 /nfs/dbraw/zinc/12/93/07/382129307.db2.gz GMANPQUQATVJIO-AWEZNQCLSA-N 2 0 270.380 2.711 20 0 CFADRP CC[NH+](CC)CCN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000376508150 382139535 /nfs/dbraw/zinc/13/95/35/382139535.db2.gz ZNAWWYMDUUHAPR-INIZCTEOSA-N 2 0 293.499 2.525 20 0 CFADRP Cc1sccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000293501697 382148468 /nfs/dbraw/zinc/14/84/68/382148468.db2.gz HKPIIUVVIARNOA-GFCCVEGCSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000376595660 382154594 /nfs/dbraw/zinc/15/45/94/382154594.db2.gz POJFNASRHNLELF-IXDOHACOSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000187384707 382169217 /nfs/dbraw/zinc/16/92/17/382169217.db2.gz OAJFKSCITSCDFZ-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000344211719 382202207 /nfs/dbraw/zinc/20/22/07/382202207.db2.gz DVOKEFZKPDFFSR-AKBUMOGYSA-N 2 0 258.409 2.646 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000362978282 382223913 /nfs/dbraw/zinc/22/39/13/382223913.db2.gz YPHUQXMAZXSITG-RBSFLKMASA-N 2 0 256.434 2.558 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](C)[C@H](F)C1 ZINC000680334976 542304912 /nfs/dbraw/zinc/30/49/12/542304912.db2.gz PNDJWNFPHBSFGG-MLGOLLRUSA-N 2 0 288.370 2.756 20 0 CFADRP CCc1cc(N2CC[NH+](CC)CC2)c2ccccc2[nH+]1 ZINC000301786385 382192350 /nfs/dbraw/zinc/19/23/50/382192350.db2.gz LZJUWCOSTPBMTD-UHFFFAOYSA-N 2 0 269.392 2.939 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000187671414 382241008 /nfs/dbraw/zinc/24/10/08/382241008.db2.gz VITFUXQBIKYNPF-HIFRSBDPSA-N 2 0 278.444 2.946 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000680351675 542310440 /nfs/dbraw/zinc/31/04/40/542310440.db2.gz DHKPGWUHLWSYTG-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccn1 ZINC000293752962 382264865 /nfs/dbraw/zinc/26/48/65/382264865.db2.gz QMPLSWWWESWYQI-OAHLLOKOSA-N 2 0 261.413 2.998 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293759901 382267794 /nfs/dbraw/zinc/26/77/94/382267794.db2.gz RYMRMVCYXKTZDE-STQMWFEESA-N 2 0 250.386 2.544 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000357747698 382304860 /nfs/dbraw/zinc/30/48/60/382304860.db2.gz JJFSJSZSRRDGHE-HUUCEWRRSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293874662 382317098 /nfs/dbraw/zinc/31/70/98/382317098.db2.gz YJSGXKWQKUILJI-UONOGXRCSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420294607 382345571 /nfs/dbraw/zinc/34/55/71/382345571.db2.gz BKCVULJWGAUUKY-BPQIPLTHSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000352455408 382341301 /nfs/dbraw/zinc/34/13/01/382341301.db2.gz YTGLYHHDORLDAN-FZMZJTMJSA-N 2 0 260.406 2.941 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000420288065 382342370 /nfs/dbraw/zinc/34/23/70/382342370.db2.gz IPDKSLTXQYNJMJ-MNOVXSKESA-N 2 0 252.324 2.778 20 0 CFADRP CCC[NH+]1CCC(NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000357838763 382343241 /nfs/dbraw/zinc/34/32/41/382343241.db2.gz XOUIEPOXYJFRIG-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000377589979 382298481 /nfs/dbraw/zinc/29/84/81/382298481.db2.gz VUHNBFVWCLYIFC-BZZMCLGOSA-N 2 0 288.435 2.979 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000420298964 382349540 /nfs/dbraw/zinc/34/95/40/382349540.db2.gz ANKZAFDMBPKZHE-ITDIGPHOSA-N 2 0 298.789 2.527 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000420297742 382349676 /nfs/dbraw/zinc/34/96/76/382349676.db2.gz DKAOXAAXLGTVKY-CQSZACIVSA-N 2 0 288.794 2.821 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420298861 382349850 /nfs/dbraw/zinc/34/98/50/382349850.db2.gz IDBCNEPKDKWDJO-HLLBOEOZSA-N 2 0 282.472 2.543 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](c2ccsc2)O1 ZINC000420298556 382350357 /nfs/dbraw/zinc/35/03/57/382350357.db2.gz HQEUVRGSOKIBBJ-IIAWOOMASA-N 2 0 294.464 2.900 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H](C)CC2(C)C)cc1 ZINC000420300991 382351395 /nfs/dbraw/zinc/35/13/95/382351395.db2.gz KUYWGJWQLVLIEE-ZFWWWQNUSA-N 2 0 276.424 2.858 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352478638 382353838 /nfs/dbraw/zinc/35/38/38/382353838.db2.gz YYJIPKFLKOXAMH-OAHLLOKOSA-N 2 0 292.423 2.667 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420303825 382354200 /nfs/dbraw/zinc/35/42/00/382354200.db2.gz NPQYFHKPVLHGJB-ZIAGYGMSSA-N 2 0 262.397 2.775 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352478637 382354897 /nfs/dbraw/zinc/35/48/97/382354897.db2.gz YYJIPKFLKOXAMH-HNNXBMFYSA-N 2 0 292.423 2.667 20 0 CFADRP CC1CCN(C(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000303266334 382356454 /nfs/dbraw/zinc/35/64/54/382356454.db2.gz VTTPFKQXXICCKS-MRXNPFEDSA-N 2 0 294.487 2.897 20 0 CFADRP CCc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420308660 382357131 /nfs/dbraw/zinc/35/71/31/382357131.db2.gz NQDRICQUUMEHIR-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420309602 382357412 /nfs/dbraw/zinc/35/74/12/382357412.db2.gz OUTSPVMOBPGHIN-FPMFFAJLSA-N 2 0 262.422 2.578 20 0 CFADRP [NH3+]CCCN(CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000420308550 382358441 /nfs/dbraw/zinc/35/84/41/382358441.db2.gz KMTTYPAFEPRXMR-UHFFFAOYSA-N 2 0 289.467 2.713 20 0 CFADRP Cc1nc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)sc1C ZINC000420310874 382359590 /nfs/dbraw/zinc/35/95/90/382359590.db2.gz GGOMLPHPXKBLBK-HUUCEWRRSA-N 2 0 293.480 2.939 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(F)c1 ZINC000420316008 382361686 /nfs/dbraw/zinc/36/16/86/382361686.db2.gz MDMILLVCZSDJAD-CYBMUJFWSA-N 2 0 250.361 2.647 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccsc2C)CC1 ZINC000293974123 382362278 /nfs/dbraw/zinc/36/22/78/382362278.db2.gz DEQBDCFHGSBCJA-UHFFFAOYSA-N 2 0 295.496 2.564 20 0 CFADRP COc1ccccc1CCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420314276 382362363 /nfs/dbraw/zinc/36/23/63/382362363.db2.gz QMXFXRFNRLNQAA-INIZCTEOSA-N 2 0 276.424 2.702 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000365189545 382363129 /nfs/dbraw/zinc/36/31/29/382363129.db2.gz CUAJDQMGNWRCOL-MRXNPFEDSA-N 2 0 270.461 2.857 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420316235 382363689 /nfs/dbraw/zinc/36/36/89/382363689.db2.gz LXUAOBLVDHYUDD-KZNAEPCWSA-N 3 0 293.499 2.572 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC(C)(C)C)cc1 ZINC000420317082 382363963 /nfs/dbraw/zinc/36/39/63/382363963.db2.gz MZMJWJBFJUOPNX-AWEZNQCLSA-N 2 0 264.413 2.715 20 0 CFADRP [NH3+]CCC[N@H+](CCCc1ccncc1)Cc1ccccc1 ZINC000420316413 382364308 /nfs/dbraw/zinc/36/43/08/382364308.db2.gz SQCDIOPOKCSIKN-UHFFFAOYSA-N 2 0 283.419 2.865 20 0 CFADRP CC(C)n1ccc(CN(CCC[NH3+])CC2CCCC2)n1 ZINC000352495158 382365046 /nfs/dbraw/zinc/36/50/46/382365046.db2.gz JCWULBGTIXUAKG-UHFFFAOYSA-N 2 0 278.444 2.805 20 0 CFADRP C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)CC1CCOCC1 ZINC000420321591 382367129 /nfs/dbraw/zinc/36/71/29/382367129.db2.gz CYGHXNIXPKRPEB-ROUUACIJSA-N 2 0 294.483 2.905 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420323553 382368806 /nfs/dbraw/zinc/36/88/06/382368806.db2.gz YPOSFTRCZZCREG-CQSZACIVSA-N 2 0 286.778 2.529 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420322181 382368835 /nfs/dbraw/zinc/36/88/35/382368835.db2.gz SDJROUUAEXVDFD-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP c1ccc(C[C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420322177 382368917 /nfs/dbraw/zinc/36/89/17/382368917.db2.gz SDJROUUAEXVDFD-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP Fc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420326831 382370460 /nfs/dbraw/zinc/37/04/60/382370460.db2.gz XVRPPZBNKQZRQB-CZUORRHYSA-N 2 0 262.372 2.962 20 0 CFADRP CCCN(C[C@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420326996 382370581 /nfs/dbraw/zinc/37/05/81/382370581.db2.gz YECDDHOKLTUEKZ-FUHWJXTLSA-N 2 0 289.467 2.710 20 0 CFADRP CC(C)COC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326795 382370986 /nfs/dbraw/zinc/37/09/86/382370986.db2.gz XTHZUFFUCQCJPF-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](CCN1CC[NH2+]CC1)Cc1ccc2ccccc2c1 ZINC000420327794 382371066 /nfs/dbraw/zinc/37/10/66/382371066.db2.gz YSWCDVKEESCOQG-UHFFFAOYSA-N 2 0 297.446 2.567 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420333354 382373814 /nfs/dbraw/zinc/37/38/14/382373814.db2.gz KIXNMPMJHXIHBS-MELADBBJSA-N 2 0 291.439 2.965 20 0 CFADRP CCc1cccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420340809 382375031 /nfs/dbraw/zinc/37/50/31/382375031.db2.gz ULSGRFJOMRPABG-MSOLQXFVSA-N 2 0 288.435 2.577 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420339368 382375719 /nfs/dbraw/zinc/37/57/19/382375719.db2.gz YPBADPJTVQONHE-MSOLQXFVSA-N 2 0 272.436 2.859 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420339374 382375891 /nfs/dbraw/zinc/37/58/91/382375891.db2.gz YPBADPJTVQONHE-ZWKOTPCHSA-N 2 0 272.436 2.859 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420353707 382378577 /nfs/dbraw/zinc/37/85/77/382378577.db2.gz BXMMVGVWPDERIO-GOSISDBHSA-N 3 0 295.515 2.820 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000420356255 382380127 /nfs/dbraw/zinc/38/01/27/382380127.db2.gz GKBDNIOAAJUCKD-AWEZNQCLSA-N 2 0 284.407 2.508 20 0 CFADRP c1cncc(CC2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000420356212 382380777 /nfs/dbraw/zinc/38/07/77/382380777.db2.gz GDXOMZDCXQTAGV-UHFFFAOYSA-N 2 0 287.451 2.726 20 0 CFADRP Cc1nc2sccn2c1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420359779 382382036 /nfs/dbraw/zinc/38/20/36/382382036.db2.gz KUKQMIFFCWFJJZ-ZDUSSCGKSA-N 2 0 292.452 2.526 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(F)cc(F)c1 ZINC000420364993 382385244 /nfs/dbraw/zinc/38/52/44/382385244.db2.gz RQUYNZWUPTVLGD-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420364001 382386071 /nfs/dbraw/zinc/38/60/71/382386071.db2.gz CIPFFYBTHQCMEY-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)c1 ZINC000420366181 382386966 /nfs/dbraw/zinc/38/69/66/382386966.db2.gz FTJGPADEGKTTKP-OAHLLOKOSA-N 2 0 275.440 2.574 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420366179 382387201 /nfs/dbraw/zinc/38/72/01/382387201.db2.gz FTJGPADEGKTTKP-HNNXBMFYSA-N 2 0 275.440 2.574 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000420366173 382387631 /nfs/dbraw/zinc/38/76/31/382387631.db2.gz FSOJASYEWNRULJ-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H]1COc2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420365527 382387813 /nfs/dbraw/zinc/38/78/13/382387813.db2.gz DYGKMQJQIYYEMT-CQSZACIVSA-N 2 0 274.408 2.659 20 0 CFADRP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352540723 382388741 /nfs/dbraw/zinc/38/87/41/382388741.db2.gz ONQSUMGJFGOTCX-YJBOKZPZSA-N 2 0 288.435 2.874 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000352544420 382389790 /nfs/dbraw/zinc/38/97/90/382389790.db2.gz AJOMQWQBSJTALU-ZDUSSCGKSA-N 2 0 290.436 2.637 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000420395183 382398537 /nfs/dbraw/zinc/39/85/37/382398537.db2.gz CZNHPSOBHONAMI-SECBINFHSA-N 2 0 262.275 2.585 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)[C@H](C)C1 ZINC000357846460 382347681 /nfs/dbraw/zinc/34/76/81/382347681.db2.gz CKCZZBFJYDNNRV-WCVJEAGWSA-N 2 0 268.445 2.510 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420296356 382348049 /nfs/dbraw/zinc/34/80/49/382348049.db2.gz DJTNHFFDRBAVPM-JONQDZQNSA-N 2 0 280.456 2.512 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420295673 382348184 /nfs/dbraw/zinc/34/81/84/382348184.db2.gz CKXWERSNDOXHDJ-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cccc(NC2CC[NH+](C[C@@H]3CCCCO3)CC2)n1 ZINC000364647429 382348488 /nfs/dbraw/zinc/34/84/88/382348488.db2.gz RSLKSLIDFARMAS-INIZCTEOSA-N 2 0 289.423 2.835 20 0 CFADRP CN(CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420389296 382396144 /nfs/dbraw/zinc/39/61/44/382396144.db2.gz HOOORZORBLDTKL-FUHWJXTLSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1cc(NCC[N@@H+]2CCCOCC2)c2ccccc2[nH+]1 ZINC000188494804 382424167 /nfs/dbraw/zinc/42/41/67/382424167.db2.gz DWRHMBDZKGGOIZ-UHFFFAOYSA-N 2 0 285.391 2.677 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000305148373 382428126 /nfs/dbraw/zinc/42/81/26/382428126.db2.gz SOEBUIDHTMVUMV-LAVFITLUSA-N 2 0 294.483 2.923 20 0 CFADRP CSC1(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCC1 ZINC000365666278 382430419 /nfs/dbraw/zinc/43/04/19/382430419.db2.gz ZGELKVILVCHKHY-CYBMUJFWSA-N 2 0 256.459 2.688 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000358090764 382448306 /nfs/dbraw/zinc/44/83/06/382448306.db2.gz UISMEKDYTFWIAC-SWLSCSKDSA-N 2 0 282.815 2.649 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000358090761 382448436 /nfs/dbraw/zinc/44/84/36/382448436.db2.gz UISMEKDYTFWIAC-DOMZBBRYSA-N 2 0 282.815 2.649 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000358079385 382442637 /nfs/dbraw/zinc/44/26/37/382442637.db2.gz FCMJQBTUWDPMOY-INIZCTEOSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nocc1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000294171576 382444897 /nfs/dbraw/zinc/44/48/97/382444897.db2.gz PVWQNLNUHGZZIQ-UHFFFAOYSA-N 2 0 273.380 2.595 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420408753 382401578 /nfs/dbraw/zinc/40/15/78/382401578.db2.gz PUFXHQMKWFNQEM-GDBMZVCRSA-N 2 0 276.424 2.545 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420409732 382401607 /nfs/dbraw/zinc/40/16/07/382401607.db2.gz QPNPIQTVFUPBPQ-JSGCOSHPSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420408915 382401619 /nfs/dbraw/zinc/40/16/19/382401619.db2.gz QCGQDJZZACOWHE-GHMZBOCLSA-N 2 0 272.314 2.966 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346632761 382446808 /nfs/dbraw/zinc/44/68/08/382446808.db2.gz DTWKVQMGKROPHI-HIFRSBDPSA-N 2 0 284.407 2.554 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000346551473 382408795 /nfs/dbraw/zinc/40/87/95/382408795.db2.gz FVCXSODUYNMROC-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)COCc1ccccc1 ZINC000358014139 382409365 /nfs/dbraw/zinc/40/93/65/382409365.db2.gz JXBXIRIWMSBWSQ-SOLBZPMBSA-N 2 0 290.451 2.769 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2Cc3ccccc3O2)C1 ZINC000378161185 382409461 /nfs/dbraw/zinc/40/94/61/382409461.db2.gz PUIMQRKMZYAQJR-DOTOQJQBSA-N 2 0 288.435 2.654 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000358018663 382412712 /nfs/dbraw/zinc/41/27/12/382412712.db2.gz IYAYNLSKQPYBCV-HZPDHXFCSA-N 2 0 276.424 2.612 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000358018666 382412941 /nfs/dbraw/zinc/41/29/41/382412941.db2.gz IYAYNLSKQPYBCV-JKSUJKDBSA-N 2 0 276.424 2.612 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000304672350 382415145 /nfs/dbraw/zinc/41/51/45/382415145.db2.gz CHVSXWYFLLIHOD-NVXWUHKLSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1sccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000294110927 382419854 /nfs/dbraw/zinc/41/98/54/382419854.db2.gz FUGRBEMFEHOVIJ-HUUCEWRRSA-N 2 0 264.438 2.973 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000346573662 382420502 /nfs/dbraw/zinc/42/05/02/382420502.db2.gz PGRKJICHOUBQCI-XOKHGSTOSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@@H](C)C[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378391184 382453944 /nfs/dbraw/zinc/45/39/44/382453944.db2.gz WIPFTHJLXKQICR-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352712119 382455159 /nfs/dbraw/zinc/45/51/59/382455159.db2.gz CDGSNZLBNBEKQA-WQGACYEGSA-N 2 0 292.398 2.968 20 0 CFADRP C[C@@](O)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000188674798 382455571 /nfs/dbraw/zinc/45/55/71/382455571.db2.gz NMZFYJXETICOCZ-BRWVUGGUSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000306538032 382457680 /nfs/dbraw/zinc/45/76/80/382457680.db2.gz MAAFHPJVCQWBGD-IAGOWNOFSA-N 2 0 258.409 2.849 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000346666765 382462236 /nfs/dbraw/zinc/46/22/36/382462236.db2.gz YWOWZMUGNQJBNU-UKRRQHHQSA-N 2 0 290.455 2.637 20 0 CFADRP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000358128873 382462655 /nfs/dbraw/zinc/46/26/55/382462655.db2.gz QVFXJINDFWUGMO-KRWDZBQOSA-N 2 0 275.440 2.980 20 0 CFADRP CCC[C@@H]1CN(c2ccncc2Cl)CC[N@@H+]1CCOC ZINC000346668062 382462759 /nfs/dbraw/zinc/46/27/59/382462759.db2.gz LYGTUBOECWUMHI-CYBMUJFWSA-N 2 0 297.830 2.672 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000188715469 382463008 /nfs/dbraw/zinc/46/30/08/382463008.db2.gz MGWWGGAKUGUPLH-OCCSQVGLSA-N 2 0 298.377 2.903 20 0 CFADRP CCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000352748096 382464767 /nfs/dbraw/zinc/46/47/67/382464767.db2.gz HCCVFAAUZLEWAG-ALOPSCKCSA-N 2 0 273.424 2.749 20 0 CFADRP CCOc1cccc(C[NH2+]CCN2CC=C(C)CC2)c1 ZINC000358135873 382465043 /nfs/dbraw/zinc/46/50/43/382465043.db2.gz KQCSLEZYZCSCFT-UHFFFAOYSA-N 2 0 274.408 2.827 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346673567 382465247 /nfs/dbraw/zinc/46/52/47/382465247.db2.gz ICJIWSCZQJQSMA-OAHLLOKOSA-N 3 0 292.452 2.739 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000352784501 382472248 /nfs/dbraw/zinc/47/22/48/382472248.db2.gz VOZTZHWWDSGHJR-CABCVRRESA-N 2 0 297.418 2.618 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000346679495 382467405 /nfs/dbraw/zinc/46/74/05/382467405.db2.gz NDDQCCYQNVBROF-HOCLYGCPSA-N 2 0 281.403 2.918 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000346687154 382472916 /nfs/dbraw/zinc/47/29/16/382472916.db2.gz VTGPWYVPZFJLLG-ZDUSSCGKSA-N 2 0 292.452 2.943 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000346691100 382474464 /nfs/dbraw/zinc/47/44/64/382474464.db2.gz VEOHAMHETYZXCM-HIFRSBDPSA-N 2 0 274.408 2.645 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000346691945 382475602 /nfs/dbraw/zinc/47/56/02/382475602.db2.gz WUQHMIWBENQRHL-GDBMZVCRSA-N 2 0 276.424 2.891 20 0 CFADRP COc1cnccc1[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000188786079 382476030 /nfs/dbraw/zinc/47/60/30/382476030.db2.gz TZZULCNQNQTWIU-ZDUSSCGKSA-N 2 0 277.412 2.614 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000346691841 382476113 /nfs/dbraw/zinc/47/61/13/382476113.db2.gz XNGWQBAMESUEMQ-UHFFFAOYSA-N 2 0 288.313 2.598 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC1CC1 ZINC000346695231 382480596 /nfs/dbraw/zinc/48/05/96/382480596.db2.gz ZBXYXHXKAOOABE-DZGCQCFKSA-N 2 0 274.408 2.645 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000352928064 382482941 /nfs/dbraw/zinc/48/29/41/382482941.db2.gz APGUFKUTHBDHQY-DOTOQJQBSA-N 2 0 282.472 2.927 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)[C@@H](C)C1 ZINC000358189521 382496986 /nfs/dbraw/zinc/49/69/86/382496986.db2.gz MXSJKXSYIFJTJZ-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CC2CCC1CC2 ZINC000382228174 382528999 /nfs/dbraw/zinc/52/89/99/382528999.db2.gz VBOVKOLSJNEDMR-NXSPZCGBSA-N 2 0 250.430 2.933 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353155454 382501660 /nfs/dbraw/zinc/50/16/60/382501660.db2.gz OOWXYBREQOGDEZ-XYPWUTKMSA-N 2 0 296.455 2.667 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000311408414 382504428 /nfs/dbraw/zinc/50/44/28/382504428.db2.gz XVJAPKWDSHDHFE-GDBMZVCRSA-N 2 0 268.445 2.500 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000311421943 382504519 /nfs/dbraw/zinc/50/45/19/382504519.db2.gz MWSLDZAZMFTALP-UHFFFAOYSA-N 2 0 268.445 2.644 20 0 CFADRP C[C@@H](CC[NH2+]CC1(O)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000379648165 382508191 /nfs/dbraw/zinc/50/81/91/382508191.db2.gz MDHSNHVCUIAATB-INIZCTEOSA-N 2 0 290.451 2.792 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379646573 382508355 /nfs/dbraw/zinc/50/83/55/382508355.db2.gz FPDXZHRMEGIRRJ-BPQIPLTHSA-N 2 0 289.467 2.614 20 0 CFADRP CC1=CCN(CC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000358216144 382509701 /nfs/dbraw/zinc/50/97/01/382509701.db2.gz CPVFYNNXXKIKFP-AWEZNQCLSA-N 2 0 288.391 2.718 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000346788240 382510929 /nfs/dbraw/zinc/51/09/29/382510929.db2.gz HMCAWTXKNFEWOG-RWMBFGLXSA-N 2 0 258.475 2.694 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346820187 382528573 /nfs/dbraw/zinc/52/85/73/382528573.db2.gz JNMFFNOHIRETIR-YOEHRIQHSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000358234944 382518843 /nfs/dbraw/zinc/51/88/43/382518843.db2.gz HGJOZLXROHIHCA-TZMCWYRMSA-N 2 0 295.496 2.913 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801544 382518900 /nfs/dbraw/zinc/51/89/00/382518900.db2.gz SQTNLKLVDGEOQE-GWCFXTLKSA-N 2 0 286.341 2.576 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346841324 382539812 /nfs/dbraw/zinc/53/98/12/382539812.db2.gz VQGUZUYQIUXCMT-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@@H]2CCC[C@H]21 ZINC000353609108 382575846 /nfs/dbraw/zinc/57/58/46/382575846.db2.gz AEHKFXVESLLHNW-HRCADAONSA-N 2 0 284.407 2.525 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCC[C@@H](C)C1 ZINC000353458360 382546655 /nfs/dbraw/zinc/54/66/55/382546655.db2.gz CDJAKHAMHCIPNB-SFFUCWETSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353452209 382546803 /nfs/dbraw/zinc/54/68/03/382546803.db2.gz YYKZUOBUNURNED-TVFCKZIOSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353452211 382546928 /nfs/dbraw/zinc/54/69/28/382546928.db2.gz YYKZUOBUNURNED-XMTFNYHQSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)[C@H]2CCC[C@@H]21 ZINC000367600527 382576253 /nfs/dbraw/zinc/57/62/53/382576253.db2.gz KKUDQPLKGAKXHE-IKGGRYGDSA-N 2 0 276.399 2.831 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCSC1 ZINC000366745488 382547959 /nfs/dbraw/zinc/54/79/59/382547959.db2.gz NBGCYCHLJVIJMF-ZDUSSCGKSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCCOCc2ccccc2)CC[NH2+]1 ZINC000384038955 382548186 /nfs/dbraw/zinc/54/81/86/382548186.db2.gz HMUJYSAGOJXGBF-WMZOPIPTSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCCOCc2ccccc2)CC[NH2+]1 ZINC000384038953 382548514 /nfs/dbraw/zinc/54/85/14/382548514.db2.gz HMUJYSAGOJXGBF-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP c1ccc(COC[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000384117403 382548576 /nfs/dbraw/zinc/54/85/76/382548576.db2.gz FBUWQFKFAWWKLE-WMZOPIPTSA-N 2 0 288.435 2.525 20 0 CFADRP CCc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000384008892 382548845 /nfs/dbraw/zinc/54/88/45/382548845.db2.gz ODGVIXCOZCGVAK-LBPRGKRZSA-N 2 0 252.427 2.932 20 0 CFADRP c1ccc(COC[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000384117400 382548975 /nfs/dbraw/zinc/54/89/75/382548975.db2.gz FBUWQFKFAWWKLE-AEFFLSMTSA-N 2 0 288.435 2.525 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCOCc2ccccc2)CC[NH2+]1 ZINC000384153796 382550985 /nfs/dbraw/zinc/55/09/85/382550985.db2.gz JWXJJWONZCPZSV-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000346870291 382553027 /nfs/dbraw/zinc/55/30/27/382553027.db2.gz UHNLPRAPOAEIPC-CPUCHLNUSA-N 2 0 293.430 2.946 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCC(C)CC1 ZINC000353500772 382553699 /nfs/dbraw/zinc/55/36/99/382553699.db2.gz XPUDZJAGZCWGQJ-BRSBDYLESA-N 3 0 293.499 2.569 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1(C)C ZINC000353520281 382556871 /nfs/dbraw/zinc/55/68/71/382556871.db2.gz NTDITOSAVZWYPB-LFYQSXPISA-N 2 0 280.456 2.652 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000353524072 382557248 /nfs/dbraw/zinc/55/72/48/382557248.db2.gz ZQLGDPGKQJYSKK-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358302461 382557630 /nfs/dbraw/zinc/55/76/30/382557630.db2.gz RAHDVWVLWCZPCB-AGIUHOORSA-N 2 0 258.356 2.781 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000367106053 382558833 /nfs/dbraw/zinc/55/88/33/382558833.db2.gz HLUIOZDWQORIGI-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC[NH+](C)CC1 ZINC000353610821 382577568 /nfs/dbraw/zinc/57/75/68/382577568.db2.gz NXKHPISJYJUTKX-CABCVRRESA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000358326239 382569656 /nfs/dbraw/zinc/56/96/56/382569656.db2.gz ZSWUQQFWYSNEFV-PBFPGSCMSA-N 2 0 274.408 2.535 20 0 CFADRP C[C@H]([N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)C1(C)CC1 ZINC000385497854 382571678 /nfs/dbraw/zinc/57/16/78/382571678.db2.gz ICQKECPIKZAGPD-ZDUSSCGKSA-N 2 0 258.409 2.953 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)[C@H]2CCC[C@@H]21 ZINC000353601008 382573355 /nfs/dbraw/zinc/57/33/55/382573355.db2.gz AAMPVCUJPWAJRH-RYRKJORJSA-N 2 0 298.434 2.568 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000367526795 382574249 /nfs/dbraw/zinc/57/42/49/382574249.db2.gz KNATUEVIAHUUKU-IKGGRYGDSA-N 2 0 292.398 2.667 20 0 CFADRP CC(C)[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000366618814 382532872 /nfs/dbraw/zinc/53/28/72/382532872.db2.gz KUTFNDYHLRPOIQ-KZNAEPCWSA-N 2 0 290.451 2.676 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000358262473 382535177 /nfs/dbraw/zinc/53/51/77/382535177.db2.gz YZBKODXEQJEKAE-CZUORRHYSA-N 2 0 296.842 2.786 20 0 CFADRP CC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000294874333 382537044 /nfs/dbraw/zinc/53/70/44/382537044.db2.gz FIGVRSWTEBKOKR-INIZCTEOSA-N 2 0 283.375 2.992 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346839723 382537429 /nfs/dbraw/zinc/53/74/29/382537429.db2.gz SQABMLBKJCLAEC-NVXWUHKLSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000386153474 382583866 /nfs/dbraw/zinc/58/38/66/382583866.db2.gz SPHXKNLXLVPZRP-RHSMWYFYSA-N 2 0 291.439 2.570 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)c1 ZINC000358362165 382587775 /nfs/dbraw/zinc/58/77/75/382587775.db2.gz DQHYNLTWAKCGPH-IXDOHACOSA-N 2 0 271.408 2.749 20 0 CFADRP CCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000386562164 382589984 /nfs/dbraw/zinc/58/99/84/382589984.db2.gz HAPKMFDYICXRBE-CALCHBBNSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353643943 382592476 /nfs/dbraw/zinc/59/24/76/382592476.db2.gz LLNGRYQJCIYMQQ-CAPXZKIUSA-N 2 0 291.439 2.857 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000353649378 382593605 /nfs/dbraw/zinc/59/36/05/382593605.db2.gz NQLUNMXUUYPILD-ZIAGYGMSSA-N 2 0 268.445 2.797 20 0 CFADRP COc1cccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000387057838 382595469 /nfs/dbraw/zinc/59/54/69/382595469.db2.gz AEBAMLYEFJHSGT-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000358387279 382596444 /nfs/dbraw/zinc/59/64/44/382596444.db2.gz BBKQSPIOERQPAZ-COPLHBTASA-N 2 0 284.350 2.889 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc2c1OCO2 ZINC000387297334 382597195 /nfs/dbraw/zinc/59/71/95/382597195.db2.gz JBUKYJNUJGULDH-UHFFFAOYSA-N 2 0 278.396 2.625 20 0 CFADRP Cc1cc(C)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000389178397 382611583 /nfs/dbraw/zinc/61/15/83/382611583.db2.gz QKOADXLQTFTYPM-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP Fc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC000389224562 382613460 /nfs/dbraw/zinc/61/34/60/382613460.db2.gz XMZDCKLQSYMWFV-BETUJISGSA-N 2 0 282.790 2.911 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])COCc1ccccc1 ZINC000389946266 382617352 /nfs/dbraw/zinc/61/73/52/382617352.db2.gz ULDKPFKSJNUYBR-KBAYOESNSA-N 2 0 290.451 2.946 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390518455 382618004 /nfs/dbraw/zinc/61/80/04/382618004.db2.gz DXVYVAJKFKXXAG-KZNAEPCWSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393597972 382624250 /nfs/dbraw/zinc/62/42/50/382624250.db2.gz KRRQMDZLCIKOBT-NILFDRSVSA-N 2 0 262.397 2.518 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394634783 382627921 /nfs/dbraw/zinc/62/79/21/382627921.db2.gz QOEMOSASJVQKNM-UGUYLWEFSA-N 2 0 250.430 2.744 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367615799 382578414 /nfs/dbraw/zinc/57/84/14/382578414.db2.gz MEUUPUBPUYJNNC-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccc(C)nc2)C1 ZINC000353621787 382582908 /nfs/dbraw/zinc/58/29/08/382582908.db2.gz HKRDTADCRXLDMS-GOSISDBHSA-N 2 0 289.467 2.986 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000190602562 382674811 /nfs/dbraw/zinc/67/48/11/382674811.db2.gz BNLJZIVFMKBCCZ-QZTJIDSGSA-N 2 0 294.483 2.735 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C2CCN(C)CC2)cnn1C(C)(C)C ZINC000191130719 382692273 /nfs/dbraw/zinc/69/22/73/382692273.db2.gz GJFNXAANLYGUNB-GFCCVEGCSA-N 2 0 278.444 2.691 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1C(C)C ZINC000191166267 382694022 /nfs/dbraw/zinc/69/40/22/382694022.db2.gz RUGJSPHXMHIZDD-DZGCQCFKSA-N 2 0 290.455 2.907 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(OC)c(OC)c1 ZINC000336848599 382734971 /nfs/dbraw/zinc/73/49/71/382734971.db2.gz LJOKBWMVZHHFOK-UKRRQHHQSA-N 2 0 294.439 2.942 20 0 CFADRP CC(C)[NH2+]CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000191494864 382701059 /nfs/dbraw/zinc/70/10/59/382701059.db2.gz ANWCDCBKVUHABV-IAGOWNOFSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194123996 382735475 /nfs/dbraw/zinc/73/54/75/382735475.db2.gz VVKGMXAOESVJCD-QBPKDAKJSA-N 2 0 292.467 2.654 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000192438170 382708748 /nfs/dbraw/zinc/70/87/48/382708748.db2.gz MMJYGFLHEMRESH-INIZCTEOSA-N 2 0 288.435 2.628 20 0 CFADRP Cc1nccn1CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000336853902 382735896 /nfs/dbraw/zinc/73/58/96/382735896.db2.gz CGYVFSNTGLLMAP-GOSISDBHSA-N 2 0 299.418 2.563 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000193002522 382714462 /nfs/dbraw/zinc/71/44/62/382714462.db2.gz IPPSUDJKTOCRKA-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CC3CCC(C)(C)CC3)C[C@@H]2C1 ZINC000193652804 382722099 /nfs/dbraw/zinc/72/20/99/382722099.db2.gz XXVRHERBFCMAFP-GASCZTMLSA-N 2 0 250.430 2.696 20 0 CFADRP CC(C)c1nnc([C@H](C)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)[nH]1 ZINC000575115345 382727655 /nfs/dbraw/zinc/72/76/55/382727655.db2.gz YSKWDOQTCMGLQJ-RDBSUJKOSA-N 2 0 293.459 2.890 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336846358 382734350 /nfs/dbraw/zinc/73/43/50/382734350.db2.gz NCGRXQPLFRBQCH-DLBZAZTESA-N 2 0 292.471 2.762 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1C ZINC000219307571 382793433 /nfs/dbraw/zinc/79/34/33/382793433.db2.gz IJPFBOLEOBPTSL-OAHLLOKOSA-N 2 0 264.413 2.532 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCC2CCOCC2)C1 ZINC000337174929 382771447 /nfs/dbraw/zinc/77/14/47/382771447.db2.gz IHLBXLONFDCPQU-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCC(C)(C)C)CC1 ZINC000337180031 382772861 /nfs/dbraw/zinc/77/28/61/382772861.db2.gz LWAPMFRUPLIKFJ-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000228533292 382847454 /nfs/dbraw/zinc/84/74/54/382847454.db2.gz MNMHYCRYSUXVBG-GVDBMIGSSA-N 2 0 258.409 2.863 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000220340858 382795836 /nfs/dbraw/zinc/79/58/36/382795836.db2.gz RFITVFYZAKIYKD-DGCLKSJQSA-N 2 0 252.789 2.818 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000575794190 382799180 /nfs/dbraw/zinc/79/91/80/382799180.db2.gz QSPFXBKODXSIGY-WQVCFCJDSA-N 2 0 274.408 2.660 20 0 CFADRP Cn1cncc1CCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000575811736 382800155 /nfs/dbraw/zinc/80/01/55/382800155.db2.gz CXBULQFYHUDVEZ-UHFFFAOYSA-N 2 0 279.334 2.763 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222020371 382800245 /nfs/dbraw/zinc/80/02/45/382800245.db2.gz LJZCZBFEUBZDPY-COXVUDFISA-N 2 0 276.399 2.973 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000575860142 382801911 /nfs/dbraw/zinc/80/19/11/382801911.db2.gz POIPSZHRGNICAI-WORXLNIRSA-N 2 0 260.381 2.677 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000337330076 382803172 /nfs/dbraw/zinc/80/31/72/382803172.db2.gz GDVPZRWRDYMIMX-OAHLLOKOSA-N 2 0 294.439 2.530 20 0 CFADRP CCC[C@H](C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337339800 382805649 /nfs/dbraw/zinc/80/56/49/382805649.db2.gz RYTSEEVIJSAWIK-INIZCTEOSA-N 2 0 269.477 2.523 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000337346235 382806944 /nfs/dbraw/zinc/80/69/44/382806944.db2.gz WCFWGZOYWDEBPF-ZIAGYGMSSA-N 2 0 258.450 2.756 20 0 CFADRP c1cnn(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000337633553 382850290 /nfs/dbraw/zinc/85/02/90/382850290.db2.gz QNSWRJOAEYCHLQ-AEFFLSMTSA-N 2 0 296.418 2.589 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000337390084 382814831 /nfs/dbraw/zinc/81/48/31/382814831.db2.gz KLJSSEPRINTDGW-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000229302038 382850922 /nfs/dbraw/zinc/85/09/22/382850922.db2.gz KVRHUXUHNGXMOD-PMPSAXMXSA-N 2 0 280.456 2.941 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000576359773 382820350 /nfs/dbraw/zinc/82/03/50/382820350.db2.gz LIVNBOCOGRPRHO-SJORKVTESA-N 2 0 293.499 2.892 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337460140 382824631 /nfs/dbraw/zinc/82/46/31/382824631.db2.gz KCBJKLGKBAJUEN-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000337472072 382826218 /nfs/dbraw/zinc/82/62/18/382826218.db2.gz NYEVSPCVKLXAQE-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000226435717 382828548 /nfs/dbraw/zinc/82/85/48/382828548.db2.gz UBIYEYGMPZBQLW-NWDGAFQWSA-N 2 0 268.351 2.957 20 0 CFADRP CC[N@H+](CCc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000226436308 382828852 /nfs/dbraw/zinc/82/88/52/382828852.db2.gz LYJGAKSDOZRLPA-CYBMUJFWSA-N 2 0 252.427 2.612 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc2c(n1)CCC2)C1CC1 ZINC000577200693 382851729 /nfs/dbraw/zinc/85/17/29/382851729.db2.gz KNBAZTNWKBOPGH-UHFFFAOYSA-N 2 0 273.424 2.534 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000227076444 382833062 /nfs/dbraw/zinc/83/30/62/382833062.db2.gz WJXHEJKDCCUDRJ-WCFLWFBJSA-N 2 0 250.411 2.843 20 0 CFADRP CCc1cc(OC)ccc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000337512765 382835228 /nfs/dbraw/zinc/83/52/28/382835228.db2.gz SKISVERMEYXRMG-AWEZNQCLSA-N 2 0 276.424 2.641 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)C2CCOCC2)C1 ZINC000576801895 382836631 /nfs/dbraw/zinc/83/66/31/382836631.db2.gz NFKDWXMZJGVOIO-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000227497794 382837188 /nfs/dbraw/zinc/83/71/88/382837188.db2.gz NFTKZBQMHVWHTR-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000576957086 382843176 /nfs/dbraw/zinc/84/31/76/382843176.db2.gz IDNUXUOODNHUAA-CABCVRRESA-N 2 0 262.397 2.753 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c2ccccc2n1 ZINC000228204058 382845733 /nfs/dbraw/zinc/84/57/33/382845733.db2.gz RXIVWOMLPOMSKZ-KBPBESRZSA-N 2 0 269.392 2.712 20 0 CFADRP COc1ccccc1CCC[NH+]1CCC(CC[NH3+])CC1 ZINC000577287166 382854406 /nfs/dbraw/zinc/85/44/06/382854406.db2.gz YIZZSUJZELOBCB-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1F ZINC000337746138 382860697 /nfs/dbraw/zinc/86/06/97/382860697.db2.gz GJOQFZREVANQAQ-SUMWQHHRSA-N 2 0 294.414 2.684 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000577513431 382861918 /nfs/dbraw/zinc/86/19/18/382861918.db2.gz NQOYYVAUMUPJAV-SOUVJXGZSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](c1c(F)cccc1F)N1CCN(c2ncc[nH]2)CC1 ZINC000577689287 382867258 /nfs/dbraw/zinc/86/72/58/382867258.db2.gz DELYUYNFFGLBKE-LLVKDONJSA-N 2 0 292.333 2.571 20 0 CFADRP CC(C)(C)c1csc(CN2CC[C@@](C)(C[NH3+])C2)n1 ZINC000232556889 382869172 /nfs/dbraw/zinc/86/91/72/382869172.db2.gz JISHWNUGLAOGCE-AWEZNQCLSA-N 2 0 267.442 2.611 20 0 CFADRP Cc1nccn1CCCNc1nccc2ccc(F)cc21 ZINC000337833989 382870101 /nfs/dbraw/zinc/87/01/01/382870101.db2.gz WUDADHWJQXEMDG-UHFFFAOYSA-N 2 0 284.338 2.803 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000577828688 382872141 /nfs/dbraw/zinc/87/21/41/382872141.db2.gz HJCMAQCARKQNRV-OCCSQVGLSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235074300 382876831 /nfs/dbraw/zinc/87/68/31/382876831.db2.gz VFFYSXVORPXRQL-BLLLJJGKSA-N 2 0 262.397 2.699 20 0 CFADRP [NH3+]CC12CCC(CC1)CN2CCCOc1ccc(F)cc1 ZINC000577963196 382877643 /nfs/dbraw/zinc/87/76/43/382877643.db2.gz RUHWOASWXUHICZ-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000337951668 382877805 /nfs/dbraw/zinc/87/78/05/382877805.db2.gz QCRWZAOVYJLCKY-KRWDZBQOSA-N 2 0 298.434 2.649 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000577986873 382880211 /nfs/dbraw/zinc/88/02/11/382880211.db2.gz RRMJCLPHJHNKBE-HOTGVXAUSA-N 2 0 292.471 2.715 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2cccnc2)CC1 ZINC000533409464 382896964 /nfs/dbraw/zinc/89/69/64/382896964.db2.gz WJLIRUVIWOTGAQ-UHFFFAOYSA-N 2 0 275.440 2.676 20 0 CFADRP C[N@H+](CCSCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000578623722 382938253 /nfs/dbraw/zinc/93/82/53/382938253.db2.gz JJOZEYFFZWAEFT-UHFFFAOYSA-N 2 0 278.465 2.851 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC000578668623 382944442 /nfs/dbraw/zinc/94/44/42/382944442.db2.gz JKDJDKKWGWJKNR-ILXRZTDVSA-N 2 0 282.815 2.623 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cncc(C)c2)C[C@H]1C ZINC000442687475 382945643 /nfs/dbraw/zinc/94/56/43/382945643.db2.gz YBRTYMSSFUMDJO-GDBMZVCRSA-N 2 0 261.413 2.695 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000578711425 382946379 /nfs/dbraw/zinc/94/63/79/382946379.db2.gz DWYCLLGVZQZSDO-QGZVFWFLSA-N 2 0 288.435 2.533 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000442742657 382950855 /nfs/dbraw/zinc/95/08/55/382950855.db2.gz DDVWTQSYVDEHCR-UPJWGTAASA-N 2 0 280.416 2.881 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccncc2)[C@@H](C)C1 ZINC000494985360 382950928 /nfs/dbraw/zinc/95/09/28/382950928.db2.gz JKJOCTNMGNKXJG-RDTQODSXSA-N 2 0 273.424 2.757 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338212451 382953771 /nfs/dbraw/zinc/95/37/71/382953771.db2.gz YJIICUYESSENJU-SFHVURJKSA-N 2 0 298.434 2.692 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)[C@H](C)C1 ZINC000495049235 382955520 /nfs/dbraw/zinc/95/55/20/382955520.db2.gz RDAJDHOAJHXDNF-JZAWBGDQSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(F)cn1 ZINC000578868247 382961978 /nfs/dbraw/zinc/96/19/78/382961978.db2.gz VVMZXSLFAIFITQ-OAHLLOKOSA-N 2 0 273.355 2.920 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000578497236 382926510 /nfs/dbraw/zinc/92/65/10/382926510.db2.gz HSBPQYZKMJUHSN-SJORKVTESA-N 2 0 288.435 2.822 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cncn2C)c1 ZINC000236927129 382932636 /nfs/dbraw/zinc/93/26/36/382932636.db2.gz DBSMBTFGGCVONW-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)CCCC1 ZINC000421820514 382932713 /nfs/dbraw/zinc/93/27/13/382932713.db2.gz MPRDVEWHWXUROJ-CQSZACIVSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2cscn2)CC1 ZINC000578603890 382936050 /nfs/dbraw/zinc/93/60/50/382936050.db2.gz IWOAHUULBILJAR-UHFFFAOYSA-N 2 0 281.469 2.738 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422735394 382976961 /nfs/dbraw/zinc/97/69/61/382976961.db2.gz UPJAWFXBTJIYQK-QQFBHYJXSA-N 3 0 269.477 2.604 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422762239 382977637 /nfs/dbraw/zinc/97/76/37/382977637.db2.gz MJRIBYGMXNMEQU-HYVNUMGLSA-N 2 0 287.451 2.545 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422783861 382979119 /nfs/dbraw/zinc/97/91/19/382979119.db2.gz OWWMVXBJPCRUMT-KSZLIROESA-N 2 0 287.451 2.511 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]2CCCO[C@H]21 ZINC000422776037 382979239 /nfs/dbraw/zinc/97/92/39/382979239.db2.gz BYPMWFZOPCNLFA-FIDHJVLJSA-N 2 0 286.419 2.924 20 0 CFADRP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423021752 383016709 /nfs/dbraw/zinc/01/67/09/383016709.db2.gz CTIQTRZHOVABFZ-IUVADFSBSA-N 2 0 292.398 2.774 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)C12CCCC2 ZINC000422813229 382980344 /nfs/dbraw/zinc/98/03/44/382980344.db2.gz YXZXOLVPDHLGCM-SSHXOBKSSA-N 2 0 280.456 2.831 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423020917 383016785 /nfs/dbraw/zinc/01/67/85/383016785.db2.gz DEEJFTVANXVUBC-APIJFGDWSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422809868 382980481 /nfs/dbraw/zinc/98/04/81/382980481.db2.gz SNGCPHAQEWBQDS-YNEHKIRRSA-N 2 0 289.423 2.812 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000422802158 382981032 /nfs/dbraw/zinc/98/10/32/382981032.db2.gz BANJBQRJQQKGCL-BGTYHANMSA-N 2 0 288.435 2.803 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C1CCOCC1 ZINC000422815187 382981695 /nfs/dbraw/zinc/98/16/95/382981695.db2.gz XFHQRBLWZWFQAX-GUYCJALGSA-N 2 0 291.439 2.705 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CCC1 ZINC000422815758 382981890 /nfs/dbraw/zinc/98/18/90/382981890.db2.gz YIOPVOMLISVHPC-ZBFHGGJFSA-N 2 0 258.409 2.825 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000422815032 382982636 /nfs/dbraw/zinc/98/26/36/382982636.db2.gz AOAKNXWATTXSJQ-QNWHQSFQSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000422861839 382984200 /nfs/dbraw/zinc/98/42/00/382984200.db2.gz NADGEKPMUYVGDP-DFBDCSAJSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422895193 382986713 /nfs/dbraw/zinc/98/67/13/382986713.db2.gz VHFQLWIMEFUZSY-WDEREUQCSA-N 2 0 290.329 2.843 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024538 383017213 /nfs/dbraw/zinc/01/72/13/383017213.db2.gz LWGDYUAHNUULCI-VCTAVGKDSA-N 2 0 297.805 2.527 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@@H]1OC ZINC000422933019 382988337 /nfs/dbraw/zinc/98/83/37/382988337.db2.gz DALJDHPAERJEQP-YJNKXOJESA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422965842 382989174 /nfs/dbraw/zinc/98/91/74/382989174.db2.gz MCDDYGKTVSHQJT-KLAILNCOSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccccc1C(F)(F)F ZINC000422954218 532965263 /nfs/dbraw/zinc/96/52/63/532965263.db2.gz HIGUWYLWHCZWPB-MNOVXSKESA-N 2 0 290.329 2.800 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422806518 532965281 /nfs/dbraw/zinc/96/52/81/532965281.db2.gz NMFABFMIWNFMPQ-MNOVXSKESA-N 2 0 290.329 2.843 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCOCc2ccc(Cl)cc2)C1 ZINC000338322291 382990488 /nfs/dbraw/zinc/99/04/88/382990488.db2.gz IILRKVJEJMYDDH-CJNGLKHVSA-N 2 0 296.842 2.786 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000422973381 382990919 /nfs/dbraw/zinc/99/09/19/382990919.db2.gz OGOPVKBEHBZODR-HNNXBMFYSA-N 2 0 288.391 2.790 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422974283 382992481 /nfs/dbraw/zinc/99/24/81/382992481.db2.gz QUDBUAGJLZCVDV-BVPBIZIASA-N 2 0 288.435 2.834 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422975185 382992568 /nfs/dbraw/zinc/99/25/68/382992568.db2.gz BGJGCZYNIMLLSM-NRSFXHEJSA-N 2 0 288.435 2.964 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1 ZINC000422976808 382992783 /nfs/dbraw/zinc/99/27/83/382992783.db2.gz DWWGFTCESCTJAU-KBPBESRZSA-N 2 0 299.418 2.967 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422977461 382994331 /nfs/dbraw/zinc/99/43/31/382994331.db2.gz FMEAPEXXTCSNNF-KZNAEPCWSA-N 2 0 288.435 2.940 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000422980813 382994885 /nfs/dbraw/zinc/99/48/85/382994885.db2.gz RFXJEYGGPTYSRJ-DYVFJYSZSA-N 2 0 293.455 2.687 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422982045 382995518 /nfs/dbraw/zinc/99/55/18/382995518.db2.gz VFWCPRBDBTYIDO-ZACQAIPSSA-N 2 0 276.424 2.908 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000422986316 382997964 /nfs/dbraw/zinc/99/79/64/382997964.db2.gz BXSWZQBWPCHYOY-ZDUSSCGKSA-N 2 0 264.417 2.605 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000422989378 382998756 /nfs/dbraw/zinc/99/87/56/382998756.db2.gz LGPNMUVRESHOAX-OSULZQRXSA-N 2 0 270.420 2.679 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)OC ZINC000422992476 382999725 /nfs/dbraw/zinc/99/97/25/382999725.db2.gz CQIPKHVNMQMQFL-JYJNAYRXSA-N 2 0 270.461 2.948 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000422993200 383000175 /nfs/dbraw/zinc/00/01/75/383000175.db2.gz RAYQHHPUQGNJNA-MAZHCROVSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000422994206 383001437 /nfs/dbraw/zinc/00/14/37/383001437.db2.gz UWLAGEDIDVUGQF-ZGUYJTEBSA-N 2 0 288.435 2.984 20 0 CFADRP CC[C@@H](CSc1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423005437 383006750 /nfs/dbraw/zinc/00/67/50/383006750.db2.gz SCJXATMCRMDLET-OCCSQVGLSA-N 2 0 264.438 2.755 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000423004911 383007307 /nfs/dbraw/zinc/00/73/07/383007307.db2.gz QGIKMYPUAMZCNQ-NWANDNLSSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423005571 383007560 /nfs/dbraw/zinc/00/75/60/383007560.db2.gz SFQYZDAMOWEUHX-PMPSAXMXSA-N 2 0 284.488 2.930 20 0 CFADRP CC[C@H]([NH2+]C[C@H](SC)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423025871 383018351 /nfs/dbraw/zinc/01/83/51/383018351.db2.gz AEALEZQKYSRYKK-AVGNSLFASA-N 2 0 258.475 2.884 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000423006746 383008865 /nfs/dbraw/zinc/00/88/65/383008865.db2.gz PECRRKSRTFMOPL-BRWVUGGUSA-N 2 0 294.483 2.830 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423012435 383009711 /nfs/dbraw/zinc/00/97/11/383009711.db2.gz DAFMTIRQCAQYPB-KLHDSHLOSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423027773 383018394 /nfs/dbraw/zinc/01/83/94/383018394.db2.gz PSIKDHVJUKTGFB-CZUORRHYSA-N 2 0 261.413 2.609 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423012659 383010269 /nfs/dbraw/zinc/01/02/69/383010269.db2.gz DKPYWBZMXZHRKT-IPOQPSJVSA-N 2 0 260.381 2.536 20 0 CFADRP FC(F)(F)CSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423013983 383011433 /nfs/dbraw/zinc/01/14/33/383011433.db2.gz HETQNVOPMJYGMF-UTUOFQBUSA-N 2 0 296.402 2.792 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCc2ccccc2C1 ZINC000245596157 383011579 /nfs/dbraw/zinc/01/15/79/383011579.db2.gz LOBISQASZCZISR-MSOLQXFVSA-N 2 0 272.436 2.960 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423127538 532966289 /nfs/dbraw/zinc/96/62/89/532966289.db2.gz CBUDDWVDSSVJSA-AGIUHOORSA-N 2 0 290.386 2.788 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423014682 383012789 /nfs/dbraw/zinc/01/27/89/383012789.db2.gz PNELXSLTBHVODJ-NWDGAFQWSA-N 2 0 284.831 2.997 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423014684 383012822 /nfs/dbraw/zinc/01/28/22/383012822.db2.gz PNELXSLTBHVODJ-VXGBXAGGSA-N 2 0 284.831 2.997 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423017148 383013366 /nfs/dbraw/zinc/01/33/66/383013366.db2.gz VNRGQCSULPGKJS-GJZGRUSLSA-N 2 0 293.430 2.902 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423017040 383014009 /nfs/dbraw/zinc/01/40/09/383014009.db2.gz NUOWPCVJVABGHO-STQMWFEESA-N 2 0 252.427 2.706 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423017805 383014248 /nfs/dbraw/zinc/01/42/48/383014248.db2.gz PPCAEHKHBHZREW-OXIQGZBJSA-N 2 0 268.376 2.617 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423019816 383015032 /nfs/dbraw/zinc/01/50/32/383015032.db2.gz XHFVOIIJWSVVCH-BRWVUGGUSA-N 2 0 292.398 2.845 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423027662 383018718 /nfs/dbraw/zinc/01/87/18/383018718.db2.gz DWMWKJLXUYSKGU-HOCLYGCPSA-N 2 0 279.403 2.877 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423132958 532966580 /nfs/dbraw/zinc/96/65/80/532966580.db2.gz PWMJLBIXIKWZGJ-NDPMZMCLSA-N 2 0 250.361 2.787 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423047196 383028238 /nfs/dbraw/zinc/02/82/38/383028238.db2.gz FVJBFFUCXPYZHV-ZNMIVQPWSA-N 2 0 256.434 2.687 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423047158 383028318 /nfs/dbraw/zinc/02/83/18/383028318.db2.gz GPHHURMJKIKTMV-JOQOYGCGSA-N 2 0 288.435 2.845 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423047091 383028805 /nfs/dbraw/zinc/02/88/05/383028805.db2.gz UTTMZUNEOATAPZ-GHMZBOCLSA-N 2 0 286.341 2.834 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423048698 383029587 /nfs/dbraw/zinc/02/95/87/383029587.db2.gz IKFZJPAGBOAGPP-IRXDYDNUSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@@H](C1C[NH2+]C1)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423048824 383029816 /nfs/dbraw/zinc/02/98/16/383029816.db2.gz JEPDPAHMQWMYIM-LBPRGKRZSA-N 2 0 294.389 2.827 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423047291 383030408 /nfs/dbraw/zinc/03/04/08/383030408.db2.gz HAYLHRAABJMNLZ-IUIKQTSFSA-N 2 0 288.391 2.583 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423047961 383030493 /nfs/dbraw/zinc/03/04/93/383030493.db2.gz HXCWOPWAUCOEET-VVLHAWIVSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423052088 383031876 /nfs/dbraw/zinc/03/18/76/383031876.db2.gz PBWRLXBTVAHPOI-CWRNSKLLSA-N 2 0 280.456 2.855 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C(C)C)c1 ZINC000423052064 383031903 /nfs/dbraw/zinc/03/19/03/383031903.db2.gz PALWDCGINHCLIH-MRXNPFEDSA-N 2 0 264.413 2.654 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423054851 383032937 /nfs/dbraw/zinc/03/29/37/383032937.db2.gz VJDAGNUUCNWPLT-GXTWGEPZSA-N 2 0 278.444 2.739 20 0 CFADRP CN1CC[C@H]([NH2+]CCCF)C[C@H]1c1ccccc1 ZINC000551086149 383034210 /nfs/dbraw/zinc/03/42/10/383034210.db2.gz MOQIKZQBWGVCHB-GJZGRUSLSA-N 2 0 250.361 2.771 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCCCC1 ZINC000423058163 383034233 /nfs/dbraw/zinc/03/42/33/383034233.db2.gz BLBPNXLNQMXAMR-HOTGVXAUSA-N 2 0 282.472 2.951 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423055662 383034382 /nfs/dbraw/zinc/03/43/82/383034382.db2.gz WUUOEDFTFBDYNK-SDADXPQNSA-N 2 0 262.397 2.622 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423056165 383034564 /nfs/dbraw/zinc/03/45/64/383034564.db2.gz FKFFMUBWFQNVPC-SNVBAGLBSA-N 2 0 272.314 2.711 20 0 CFADRP CC(C)C(C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC000551186144 383035560 /nfs/dbraw/zinc/03/55/60/383035560.db2.gz FBWAYDJRSNJTCK-MRXNPFEDSA-N 2 0 284.488 2.741 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCCCC1 ZINC000423061745 383036870 /nfs/dbraw/zinc/03/68/70/383036870.db2.gz LLIUXEXXWFGATD-KBPBESRZSA-N 2 0 256.434 2.689 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccc(F)cc21 ZINC000579613113 383037028 /nfs/dbraw/zinc/03/70/28/383037028.db2.gz GCCAFLBZSNIIPE-CABCVRRESA-N 2 0 289.398 2.719 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccco2)N2CCCCC2)C1 ZINC000579613862 383037239 /nfs/dbraw/zinc/03/72/39/383037239.db2.gz GPGGUJWMSGJDKG-OWCLPIDISA-N 2 0 291.439 2.666 20 0 CFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423061318 383037333 /nfs/dbraw/zinc/03/73/33/383037333.db2.gz QOPAXYLRTWBRIZ-ATZDWAIDSA-N 2 0 296.414 2.633 20 0 CFADRP Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1Br ZINC000423065521 383038321 /nfs/dbraw/zinc/03/83/21/383038321.db2.gz BMLSZYGHVQWAFS-YPMHNXCESA-N 2 0 297.240 2.975 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423069355 383039383 /nfs/dbraw/zinc/03/93/83/383039383.db2.gz AUVOWWMCQMKIAI-GDBMZVCRSA-N 2 0 261.413 2.726 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423067584 383040244 /nfs/dbraw/zinc/04/02/44/383040244.db2.gz ZVFJGNBHPNDJAU-HDMKZQKVSA-N 2 0 289.467 2.612 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423078774 383040954 /nfs/dbraw/zinc/04/09/54/383040954.db2.gz PGTYNTQSSDXHSQ-XWTMOSNGSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423084617 383041378 /nfs/dbraw/zinc/04/13/78/383041378.db2.gz IDBBATBIJITWSI-HZPDHXFCSA-N 2 0 294.483 2.830 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423086665 383041795 /nfs/dbraw/zinc/04/17/95/383041795.db2.gz NRCVCBXJLVQRIB-UIDBIOKJSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000423115869 383043044 /nfs/dbraw/zinc/04/30/44/383043044.db2.gz OKXHKUQELLVWHH-RRCSTGOVSA-N 2 0 268.445 2.830 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134563 383044046 /nfs/dbraw/zinc/04/40/46/383044046.db2.gz MPZLVKXMGBSPTD-QZTJIDSGSA-N 3 0 287.451 2.987 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000423143732 383044887 /nfs/dbraw/zinc/04/48/87/383044887.db2.gz XSFHRIALOARCBT-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCC(C)(F)F ZINC000423146962 383044972 /nfs/dbraw/zinc/04/49/72/383044972.db2.gz QUYYONJWIYZTSQ-JTQLQIEISA-N 2 0 271.355 2.935 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCCCC1 ZINC000423139085 383045405 /nfs/dbraw/zinc/04/54/05/383045405.db2.gz KGKVLVSLOLLOHI-CABCVRRESA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000423163392 383046727 /nfs/dbraw/zinc/04/67/27/383046727.db2.gz RAANSRFIYJUARH-YDHLFZDLSA-N 2 0 261.413 2.673 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000423173796 383047617 /nfs/dbraw/zinc/04/76/17/383047617.db2.gz ABQCLTQXFLGFKF-OWYFMNJBSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccc1-n1ccnn1 ZINC000423181343 383047851 /nfs/dbraw/zinc/04/78/51/383047851.db2.gz OXNDSJIAQLPZAW-CQSZACIVSA-N 2 0 299.422 2.580 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000423197348 383048575 /nfs/dbraw/zinc/04/85/75/383048575.db2.gz ZAUNDZSYYXXIIK-NSHDSACASA-N 2 0 259.180 2.919 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423187022 383048591 /nfs/dbraw/zinc/04/85/91/383048591.db2.gz KTLWYTGFYBPQFS-DZGCQCFKSA-N 2 0 266.816 2.990 20 0 CFADRP CC(C)C(C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C(C)C ZINC000551802445 383050417 /nfs/dbraw/zinc/05/04/17/383050417.db2.gz DYVJPYZKSWWPSC-INIZCTEOSA-N 2 0 283.504 2.530 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237603 383051879 /nfs/dbraw/zinc/05/18/79/383051879.db2.gz QAFYLNOOPYRLRP-DLBZAZTESA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423226119 383052100 /nfs/dbraw/zinc/05/21/00/383052100.db2.gz PMRVOMNZXJMXKS-NHYWBVRUSA-N 2 0 266.816 2.988 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000423261783 383053983 /nfs/dbraw/zinc/05/39/83/383053983.db2.gz KVMQJPNREPZNMD-IMJJTQAJSA-N 2 0 264.413 2.726 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423267252 383054120 /nfs/dbraw/zinc/05/41/20/383054120.db2.gz CPPHVKUSKSOQND-GJEMEMOUSA-N 2 0 296.455 2.606 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000423275455 383055978 /nfs/dbraw/zinc/05/59/78/383055978.db2.gz NALVSPGRLOLHRV-FZMZJTMJSA-N 2 0 280.437 2.677 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000423293492 383056579 /nfs/dbraw/zinc/05/65/79/383056579.db2.gz RNNSDEYYPNUUKZ-STQMWFEESA-N 2 0 262.397 2.611 20 0 CFADRP c1ccc(CC[C@H]2CCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301930 383057063 /nfs/dbraw/zinc/05/70/63/383057063.db2.gz ISIGXGCIKBRMFE-IAGOWNOFSA-N 2 0 258.409 2.597 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2CC2)C1 ZINC000246030372 383059266 /nfs/dbraw/zinc/05/92/66/383059266.db2.gz NMFVINBUYIZBEF-ZBFHGGJFSA-N 2 0 250.430 2.983 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423350580 383060256 /nfs/dbraw/zinc/06/02/56/383060256.db2.gz ZTSGKCYWASOVRB-GFCCVEGCSA-N 2 0 262.422 2.979 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353656 383061531 /nfs/dbraw/zinc/06/15/31/383061531.db2.gz BVSUZDZXVWILIO-JQHSSLGASA-N 2 0 288.435 2.886 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(C(=O)OC)cc1 ZINC000423354765 383062084 /nfs/dbraw/zinc/06/20/84/383062084.db2.gz GVXQESQXAZXXHL-HZPDHXFCSA-N 2 0 290.407 2.656 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1Oc1ccccc1 ZINC000423357711 383062605 /nfs/dbraw/zinc/06/26/05/383062605.db2.gz SQQWPIMHDKIEPL-IAGOWNOFSA-N 2 0 286.419 2.742 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355589 383062664 /nfs/dbraw/zinc/06/26/64/383062664.db2.gz IICXDINDSJYDPI-GOEBONIOSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423392222 383079884 /nfs/dbraw/zinc/07/98/84/383079884.db2.gz LLTADJVHHWZMRF-XBVQOTNRSA-N 2 0 258.409 2.910 20 0 CFADRP COC(=O)CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000579912578 383064286 /nfs/dbraw/zinc/06/42/86/383064286.db2.gz QDCOAVXTHBDNDG-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc2c(c1)OCO2 ZINC000423363715 383065051 /nfs/dbraw/zinc/06/50/51/383065051.db2.gz VBFDGTJBVUQFAR-LBPRGKRZSA-N 2 0 296.370 2.869 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(OC)cc1 ZINC000423365506 383065783 /nfs/dbraw/zinc/06/57/83/383065783.db2.gz BVOQOGWUGQKVPV-NOLJZWGESA-N 2 0 262.397 2.876 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423391742 383080084 /nfs/dbraw/zinc/08/00/84/383080084.db2.gz PREQIMHKDYXLDG-VBQJREDUSA-N 2 0 274.408 2.932 20 0 CFADRP COCC1CCC([NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000423366596 383066540 /nfs/dbraw/zinc/06/65/40/383066540.db2.gz BRZIMAPXGFPJMF-UHFFFAOYSA-N 2 0 274.408 2.585 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000552071093 383068692 /nfs/dbraw/zinc/06/86/92/383068692.db2.gz OYUYUOVMVYAZEU-LSDHHAIUSA-N 2 0 288.439 2.680 20 0 CFADRP c1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cc2c1C[NH2+]C2 ZINC000423370561 383069096 /nfs/dbraw/zinc/06/90/96/383069096.db2.gz FTGIMDXXAKIGSM-QGZVFWFLSA-N 2 0 256.393 2.958 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423376768 383070941 /nfs/dbraw/zinc/07/09/41/383070941.db2.gz YOZYWDDAGSYCJN-GDBMZVCRSA-N 2 0 262.372 2.935 20 0 CFADRP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000423379870 383073461 /nfs/dbraw/zinc/07/34/61/383073461.db2.gz YBIVKPDPMBUDGD-ILXRZTDVSA-N 2 0 282.815 2.887 20 0 CFADRP CC[N@H+]1C[C@H](N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000423382123 383075234 /nfs/dbraw/zinc/07/52/34/383075234.db2.gz DGDPHAUYMQWVPF-JVPBZIDWSA-N 2 0 297.446 2.769 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(OC)c1 ZINC000423387318 383077346 /nfs/dbraw/zinc/07/73/46/383077346.db2.gz RYHKTCJKZWTFOU-INWMFGNUSA-N 2 0 262.397 2.876 20 0 CFADRP c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc2c1C[NH2+]C2 ZINC000423386079 383077434 /nfs/dbraw/zinc/07/74/34/383077434.db2.gz LXINZZQLRVUKKP-RCCFBDPRSA-N 2 0 298.430 2.727 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](C[C@H]1CCCO1)C1CCCC1 ZINC000245700229 383022823 /nfs/dbraw/zinc/02/28/23/383022823.db2.gz XLXPNRKMQFIFOS-NVXWUHKLSA-N 2 0 280.456 2.894 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000423035985 383023235 /nfs/dbraw/zinc/02/32/35/383023235.db2.gz KFAKFJPMLJMUCD-WDEREUQCSA-N 2 0 290.436 2.760 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423037491 383023576 /nfs/dbraw/zinc/02/35/76/383023576.db2.gz WBGURYMFNLTPOX-YPMHNXCESA-N 2 0 286.341 2.754 20 0 CFADRP CS[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036220 383024027 /nfs/dbraw/zinc/02/40/27/383024027.db2.gz SSBDDMCBAZWZOU-UPJWGTAASA-N 2 0 258.475 2.884 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC[C@@H]1CCCCO1 ZINC000423039916 383024620 /nfs/dbraw/zinc/02/46/20/383024620.db2.gz RYZZCFJEUNUUOD-RYQLBKOJSA-N 2 0 290.451 2.884 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423040318 383024969 /nfs/dbraw/zinc/02/49/69/383024969.db2.gz GUNWJEHVADHCTJ-NWDGAFQWSA-N 2 0 299.821 2.775 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000423039308 383025303 /nfs/dbraw/zinc/02/53/03/383025303.db2.gz QGIQCVYFFOULNO-HOCLYGCPSA-N 2 0 288.435 2.834 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423040375 383025362 /nfs/dbraw/zinc/02/53/62/383025362.db2.gz UBGYLOFKQRJDPT-CKUJCDMFSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710198 383026403 /nfs/dbraw/zinc/02/64/03/383026403.db2.gz NBDPDLNSHYRPMF-DDBAPUKQSA-N 2 0 288.435 2.543 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000423041350 383026691 /nfs/dbraw/zinc/02/66/91/383026691.db2.gz IXHLVHKYIIJVCO-ORQFMDKSSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH2+]CC1 ZINC000423044292 383027235 /nfs/dbraw/zinc/02/72/35/383027235.db2.gz QUYGGDBGGVUZJZ-NSHDSACASA-N 2 0 286.341 2.978 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423043739 383027631 /nfs/dbraw/zinc/02/76/31/383027631.db2.gz PVNLBNJJPFAPOB-KOLCDFICSA-N 2 0 253.415 2.546 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423492901 383120515 /nfs/dbraw/zinc/12/05/15/383120515.db2.gz OXTAOTNYRQXOOP-XHSDSOJGSA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423492510 383120634 /nfs/dbraw/zinc/12/06/34/383120634.db2.gz NHYQSNFVAOZGDU-MSOLQXFVSA-N 2 0 290.451 2.612 20 0 CFADRP CCc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423495575 383121164 /nfs/dbraw/zinc/12/11/64/383121164.db2.gz UVPUIAPSTUZJAR-ROUUACIJSA-N 2 0 290.451 2.914 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000423496567 383121920 /nfs/dbraw/zinc/12/19/20/383121920.db2.gz WZSWLZBZXYPVPO-PMPSAXMXSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423497795 383122821 /nfs/dbraw/zinc/12/28/21/383122821.db2.gz ZOZKOUYREUEYLQ-OBJOEFQTSA-N 2 0 279.403 2.670 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2C)[C@@H](C)C1 ZINC000246938077 383123247 /nfs/dbraw/zinc/12/32/47/383123247.db2.gz HNNBBESTKBSMGP-HOTGVXAUSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000423502220 383123684 /nfs/dbraw/zinc/12/36/84/383123684.db2.gz JVIGYYCMDNURCL-OFQRWUPVSA-N 2 0 298.434 2.865 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423502693 383124241 /nfs/dbraw/zinc/12/42/41/383124241.db2.gz MFYYWWJRTGDPHN-QRVBRYPASA-N 2 0 295.430 2.983 20 0 CFADRP COC1CCC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423532080 383126637 /nfs/dbraw/zinc/12/66/37/383126637.db2.gz UNTYMELJECLXAD-UHFFFAOYSA-N 2 0 292.467 2.687 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000423558430 383127555 /nfs/dbraw/zinc/12/75/55/383127555.db2.gz SNUWHZPZPYEMNP-FOLNQXHWSA-N 2 0 250.430 2.789 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000247022311 383133845 /nfs/dbraw/zinc/13/38/45/383133845.db2.gz LUXLFPQJJYABQX-RDJZCZTQSA-N 2 0 260.425 2.918 20 0 CFADRP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000554444877 383134462 /nfs/dbraw/zinc/13/44/62/383134462.db2.gz YWEBCIMMLOLRJS-FUHWJXTLSA-N 2 0 294.483 2.902 20 0 CFADRP COC[C@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247055105 383137005 /nfs/dbraw/zinc/13/70/05/383137005.db2.gz MHILBGMEGDHDGU-UIBIWLFHSA-N 2 0 290.451 2.768 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnn(C)c1 ZINC000247073440 383139039 /nfs/dbraw/zinc/13/90/39/383139039.db2.gz OJWUWZBUTWBGDF-NVXWUHKLSA-N 2 0 292.471 2.973 20 0 CFADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cs1 ZINC000449028788 383141216 /nfs/dbraw/zinc/14/12/16/383141216.db2.gz OWUCYOOBWUMAQF-UHFFFAOYSA-N 2 0 282.453 2.599 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423396381 383081063 /nfs/dbraw/zinc/08/10/63/383081063.db2.gz UATDGQQEOILXAS-IPYPFGDCSA-N 2 0 262.397 2.876 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@H]1OC ZINC000246564703 383081849 /nfs/dbraw/zinc/08/18/49/383081849.db2.gz XJHVIVBJWRFKPP-YIDVYQOGSA-N 2 0 282.472 2.898 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C12CCCC2 ZINC000423398160 383082443 /nfs/dbraw/zinc/08/24/43/383082443.db2.gz UBIPOGVMLGNKFU-LJISPDSOSA-N 2 0 266.429 2.584 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1(CC)CC ZINC000423399787 383083341 /nfs/dbraw/zinc/08/33/41/383083341.db2.gz VBYPTAGRMCCSDV-CBBWQLFWSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423407949 383086766 /nfs/dbraw/zinc/08/67/66/383086766.db2.gz WQMDGDSGMAPXMY-DRANZPFZSA-N 2 0 258.409 2.766 20 0 CFADRP COCCC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000423407577 383086961 /nfs/dbraw/zinc/08/69/61/383086961.db2.gz WACXKDQPGNEAMA-JQFCIGGWSA-N 2 0 294.414 2.881 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423409974 383087076 /nfs/dbraw/zinc/08/70/76/383087076.db2.gz ZHAPEBWGJCYCAP-AFAVFJNCSA-N 2 0 274.408 2.660 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423411097 383087304 /nfs/dbraw/zinc/08/73/04/383087304.db2.gz FBNCZHDSOKGHIY-KKUMJFAQSA-N 2 0 256.434 2.559 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000423416940 383088771 /nfs/dbraw/zinc/08/87/71/383088771.db2.gz DSNPRLQLQDTTEX-XOUADPBQSA-N 2 0 250.430 2.920 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC000423428226 383092976 /nfs/dbraw/zinc/09/29/76/383092976.db2.gz GGYFTOLKDNMNOZ-XQAQDONZSA-N 2 0 292.398 2.873 20 0 CFADRP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCN2 ZINC000423443930 383098341 /nfs/dbraw/zinc/09/83/41/383098341.db2.gz LAPVGEMLZMGIDL-IAGOWNOFSA-N 2 0 285.435 2.761 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000423448193 383100045 /nfs/dbraw/zinc/10/00/45/383100045.db2.gz URQQZTFLLGFJHE-LEWSCRJBSA-N 2 0 250.411 2.787 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423449953 383100060 /nfs/dbraw/zinc/10/00/60/383100060.db2.gz GVVGTXAUIZCYAR-ABAIWWIYSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423458196 383103201 /nfs/dbraw/zinc/10/32/01/383103201.db2.gz GPWVKAUVQXOCFW-RKLWJJNISA-N 2 0 296.842 2.755 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C(F)F)C1 ZINC000423460949 383104391 /nfs/dbraw/zinc/10/43/91/383104391.db2.gz BVQGZQBIJBZKPZ-RBSFLKMASA-N 2 0 282.378 2.970 20 0 CFADRP CCc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)nc1 ZINC000338973058 383104531 /nfs/dbraw/zinc/10/45/31/383104531.db2.gz QJNKBVITRNOXGQ-UHFFFAOYSA-N 2 0 298.434 2.832 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423464041 383105225 /nfs/dbraw/zinc/10/52/25/383105225.db2.gz GKFPBWPHEUMKAW-JMSVASOKSA-N 2 0 292.398 2.929 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000423466542 383106180 /nfs/dbraw/zinc/10/61/80/383106180.db2.gz IFPZMMIFNASFAO-BMFZPTHFSA-N 2 0 284.407 2.606 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000423466545 383106432 /nfs/dbraw/zinc/10/64/32/383106432.db2.gz IFPZMMIFNASFAO-NUEKZKHPSA-N 2 0 284.407 2.606 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000423473779 383109696 /nfs/dbraw/zinc/10/96/96/383109696.db2.gz ODBOKXGFPVYAGH-DLOVCJGASA-N 2 0 253.415 2.620 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000423473774 383109722 /nfs/dbraw/zinc/10/97/22/383109722.db2.gz OCDHCVCGAMVKBQ-CQDKDKBSSA-N 2 0 278.444 2.688 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423474569 383110792 /nfs/dbraw/zinc/11/07/92/383110792.db2.gz RHFWXJUDYNSLJL-JQWIXIFHSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423479306 383112606 /nfs/dbraw/zinc/11/26/06/383112606.db2.gz UYTJKTJHTNYBNZ-ISTRZQFTSA-N 2 0 276.399 2.907 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423479852 383112812 /nfs/dbraw/zinc/11/28/12/383112812.db2.gz VHUYLGPCVNHMPO-IHRRRGAJSA-N 2 0 286.423 2.741 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000423480518 383112887 /nfs/dbraw/zinc/11/28/87/383112887.db2.gz WDWPFAQRABMZIY-UKRRQHHQSA-N 2 0 266.816 2.988 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000423480531 383113066 /nfs/dbraw/zinc/11/30/66/383113066.db2.gz NKCAMKFQPZNGQZ-HIFRSBDPSA-N 2 0 292.423 2.887 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423482110 383113953 /nfs/dbraw/zinc/11/39/53/383113953.db2.gz OUEVXWSJGSUYCS-HIFRSBDPSA-N 2 0 262.397 2.878 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246871097 383114820 /nfs/dbraw/zinc/11/48/20/383114820.db2.gz DKNRUKROTFICOR-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@@H](C)C1 ZINC000246870010 383114926 /nfs/dbraw/zinc/11/49/26/383114926.db2.gz CNGAFWZZNHTCJI-HOCLYGCPSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H](NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H](C)[NH3+] ZINC000423485305 383115952 /nfs/dbraw/zinc/11/59/52/383115952.db2.gz ZBGSZZGVKDMYGC-UONOGXRCSA-N 2 0 283.504 2.991 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000423488000 383116594 /nfs/dbraw/zinc/11/65/94/383116594.db2.gz DBCUMMAHPGCMEK-GUTXKFCHSA-N 2 0 290.407 2.626 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423489677 383117841 /nfs/dbraw/zinc/11/78/41/383117841.db2.gz WTJRAOFGQOFKSG-UKRRQHHQSA-N 2 0 261.413 2.827 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000423488504 383118300 /nfs/dbraw/zinc/11/83/00/383118300.db2.gz DSKWDQLJLWFTCT-NFAWXSAZSA-N 2 0 260.381 2.617 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000423491371 383118933 /nfs/dbraw/zinc/11/89/33/383118933.db2.gz JJTIAYFDGNVILT-GLQYFDAESA-N 2 0 250.361 2.994 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000423492082 383119050 /nfs/dbraw/zinc/11/90/50/383119050.db2.gz LOCSVHJZLDWBLF-BZPMIXESSA-N 2 0 262.422 2.941 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H](C)O1 ZINC000449126834 383180003 /nfs/dbraw/zinc/18/00/03/383180003.db2.gz VWMIDBFGQHFGDV-OAGGEKHMSA-N 2 0 268.445 2.798 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449148728 383181167 /nfs/dbraw/zinc/18/11/67/383181167.db2.gz KZWNWDJBUJJDMI-JKSUJKDBSA-N 2 0 280.456 2.536 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449271243 383192582 /nfs/dbraw/zinc/19/25/82/383192582.db2.gz SKGLQDGTZMWPIJ-HZPDHXFCSA-N 2 0 290.451 2.707 20 0 CFADRP CC(C)n1cncc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000424169073 383196292 /nfs/dbraw/zinc/19/62/92/383196292.db2.gz GWSRIEKKJLNWJS-UHFFFAOYSA-N 2 0 278.444 2.820 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000518396744 383196340 /nfs/dbraw/zinc/19/63/40/383196340.db2.gz KSWPOFQHXKPJKS-CVEARBPZSA-N 2 0 276.424 2.877 20 0 CFADRP CCCc1nc(C)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)o1 ZINC000339436458 383197340 /nfs/dbraw/zinc/19/73/40/383197340.db2.gz CHMNPTMBRNVQOT-KRWDZBQOSA-N 2 0 291.439 2.853 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000247997080 383205295 /nfs/dbraw/zinc/20/52/95/383205295.db2.gz JXVNBJVEBIUVOM-UIBIWLFHSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000518753931 383206747 /nfs/dbraw/zinc/20/67/47/383206747.db2.gz YOLLAUPPILDRON-LSDHHAIUSA-N 2 0 275.440 2.645 20 0 CFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000248021302 383207527 /nfs/dbraw/zinc/20/75/27/383207527.db2.gz NWEMYBDMLSZPKB-IRXDYDNUSA-N 2 0 289.467 2.975 20 0 CFADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000449303374 383209016 /nfs/dbraw/zinc/20/90/16/383209016.db2.gz LWCZAOSWNRGHJU-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000449076017 383162551 /nfs/dbraw/zinc/16/25/51/383162551.db2.gz GGVFKEJYBWXKLP-BSDSXHPESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCCC1 ZINC000449080995 383166129 /nfs/dbraw/zinc/16/61/29/383166129.db2.gz AWFPFJZIFUTXNF-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)O1 ZINC000449083871 383167939 /nfs/dbraw/zinc/16/79/39/383167939.db2.gz VTYLDKNRQGIZTN-BPKGMFCQSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)O1 ZINC000449083184 383168315 /nfs/dbraw/zinc/16/83/15/383168315.db2.gz SFHUUSHYVGSLTD-KLHDSHLOSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449086520 383169260 /nfs/dbraw/zinc/16/92/60/383169260.db2.gz BYAUZHRVGFGAQG-ZDUSSCGKSA-N 2 0 258.365 2.864 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000449089145 383169714 /nfs/dbraw/zinc/16/97/14/383169714.db2.gz JKUMTPQUJQQKGF-INIZCTEOSA-N 2 0 260.425 2.859 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248457847 383246653 /nfs/dbraw/zinc/24/66/53/383246653.db2.gz UGVAVEXDNLRNHP-RLFYNMQTSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000567226878 383252767 /nfs/dbraw/zinc/25/27/67/383252767.db2.gz UUINXCDFLZZWIV-MVJTYMMSSA-N 2 0 289.467 2.656 20 0 CFADRP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000520568646 383263357 /nfs/dbraw/zinc/26/33/57/383263357.db2.gz BHYJKIRPGSDZPV-KBXCAEBGSA-N 2 0 295.386 2.589 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000449401199 383265580 /nfs/dbraw/zinc/26/55/80/383265580.db2.gz FUSKUVROHJWHMF-UKRRQHHQSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CCOCC3)CC2)C1 ZINC000449403990 383267701 /nfs/dbraw/zinc/26/77/01/383267701.db2.gz SQLSTNJSXCLNRC-CRAIPNDOSA-N 2 0 292.467 2.966 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1sccc1Br ZINC000567375614 383269760 /nfs/dbraw/zinc/26/97/60/383269760.db2.gz YACYVDKUAQWCHV-CSMHCCOUSA-N 2 0 277.231 2.897 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000567439958 383275050 /nfs/dbraw/zinc/27/50/50/383275050.db2.gz YOHNPYWTLZRAJM-CHWSQXEVSA-N 2 0 282.378 3.000 20 0 CFADRP C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000566833299 383215948 /nfs/dbraw/zinc/21/59/48/383215948.db2.gz WPBJQZZTEQGTFE-DZGCQCFKSA-N 2 0 264.438 2.707 20 0 CFADRP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248168999 383216934 /nfs/dbraw/zinc/21/69/34/383216934.db2.gz UIOVCFPOCCHTFD-IRXDYDNUSA-N 2 0 288.435 2.790 20 0 CFADRP C(CC[NH2+][C@H]1CCCSC1)CC[NH+]1CCCC1 ZINC000339501387 383219240 /nfs/dbraw/zinc/21/92/40/383219240.db2.gz WKNRKXAHEPBVQI-AWEZNQCLSA-N 2 0 256.459 2.738 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4ccoc43)C2)C1 ZINC000449341631 383227561 /nfs/dbraw/zinc/22/75/61/383227561.db2.gz VFDSEVIEUCIRJI-KRWDZBQOSA-N 2 0 270.376 2.960 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000519775173 383234893 /nfs/dbraw/zinc/23/48/93/383234893.db2.gz GANATAMVOKDBLM-BHYGNILZSA-N 2 0 294.389 2.970 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000567062251 383239061 /nfs/dbraw/zinc/23/90/61/383239061.db2.gz XSLNEUSLCBVEDS-BMFZPTHFSA-N 2 0 291.414 2.512 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000248421588 383240041 /nfs/dbraw/zinc/24/00/41/383240041.db2.gz BWLZXOJLMBOKJZ-GVDBMIGSSA-N 2 0 282.472 2.925 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000567103773 383241068 /nfs/dbraw/zinc/24/10/68/383241068.db2.gz OAZNTTBVASHXKL-QWHCGFSZSA-N 2 0 296.377 2.544 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000567109006 383242396 /nfs/dbraw/zinc/24/23/96/383242396.db2.gz MEOUEOYTSATDFW-IUODEOHRSA-N 2 0 275.396 2.519 20 0 CFADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567890111 383327493 /nfs/dbraw/zinc/32/74/93/383327493.db2.gz MOJNKZRRNGXXDN-SJORKVTESA-N 2 0 296.414 2.760 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732565 383333898 /nfs/dbraw/zinc/33/38/98/383333898.db2.gz JHEWQXMJXLYBFP-OAHLLOKOSA-N 2 0 276.424 2.871 20 0 CFADRP CC(=O)Nc1ccccc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732632 383333953 /nfs/dbraw/zinc/33/39/53/383333953.db2.gz KTAHDDMUPRAAPR-HNNXBMFYSA-N 2 0 289.423 2.513 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732555 383334423 /nfs/dbraw/zinc/33/44/23/383334423.db2.gz IYOKYYJEHPUGMG-GFCCVEGCSA-N 2 0 252.427 2.924 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000634732894 383334909 /nfs/dbraw/zinc/33/49/09/383334909.db2.gz RMSFFYQCQYNZQM-MRXNPFEDSA-N 2 0 298.434 2.740 20 0 CFADRP CCC[C@H](C(=O)OCC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000522301772 383335723 /nfs/dbraw/zinc/33/57/23/383335723.db2.gz JBBRYLRDEFTUAA-MRXNPFEDSA-N 2 0 298.471 2.770 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000521088850 383284578 /nfs/dbraw/zinc/28/45/78/383284578.db2.gz IZOLBPIOFHOCGN-BBWFWOEESA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCN(C2CC2)CC1 ZINC000459384160 383287495 /nfs/dbraw/zinc/28/74/95/383287495.db2.gz YMCBECSUGVKIAT-MRXNPFEDSA-N 2 0 293.499 2.857 20 0 CFADRP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000449510167 383346714 /nfs/dbraw/zinc/34/67/14/383346714.db2.gz KRYPSFVSOGWYPB-IRXDYDNUSA-N 2 0 284.488 2.738 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]CC1Cc2ccccc2C1 ZINC000567656337 383298622 /nfs/dbraw/zinc/29/86/22/383298622.db2.gz ZYKCXQQZQYFCNY-UHFFFAOYSA-N 2 0 260.425 2.721 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)[C@@H](C)C1 ZINC000248861248 383299623 /nfs/dbraw/zinc/29/96/23/383299623.db2.gz AMEKDZSUEPMNHF-BHYGNILZSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000567681516 383301756 /nfs/dbraw/zinc/30/17/56/383301756.db2.gz ULJIQFRHUMWYQJ-IRXDYDNUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccccc2)C1 ZINC000249486943 383347829 /nfs/dbraw/zinc/34/78/29/383347829.db2.gz YLAXPISGWMLVKI-WBVHZDCISA-N 2 0 260.425 2.797 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)(C)c1ccccc1 ZINC000567748559 383310396 /nfs/dbraw/zinc/31/03/96/383310396.db2.gz YFWGOFLKBZVQJR-DLBZAZTESA-N 2 0 292.467 2.645 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000634683146 383312641 /nfs/dbraw/zinc/31/26/41/383312641.db2.gz LDHXTLMXLLSUSE-NFOMZHRRSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CC1CCCC1 ZINC000249046612 383321543 /nfs/dbraw/zinc/32/15/43/383321543.db2.gz HLSSOHMXDQSHCL-SJORKVTESA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]2CCCC[C@@H]12 ZINC000567872345 383324950 /nfs/dbraw/zinc/32/49/50/383324950.db2.gz SSKFTKNPJJESPN-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000450267441 383388292 /nfs/dbraw/zinc/38/82/92/383388292.db2.gz XCQSCHDCJCJIIV-ZWKOTPCHSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000251587461 383390960 /nfs/dbraw/zinc/39/09/60/383390960.db2.gz XDBLGPKMMQSUNX-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000340249996 383391560 /nfs/dbraw/zinc/39/15/60/383391560.db2.gz KMSIVIABVNRXAQ-CQSZACIVSA-N 2 0 288.435 2.671 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000524981161 383392552 /nfs/dbraw/zinc/39/25/52/383392552.db2.gz WKCKWNDFJCQYTC-QGZVFWFLSA-N 2 0 290.451 2.956 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000450401825 383393859 /nfs/dbraw/zinc/39/38/59/383393859.db2.gz JPANLYOKJHDWBR-BBWFWOEESA-N 2 0 282.472 2.734 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450451250 383415506 /nfs/dbraw/zinc/41/55/06/383415506.db2.gz HGJSYHUSWWTWHX-KRWDZBQOSA-N 2 0 280.456 2.920 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])cc(C)c1OC(F)F ZINC000568393512 383397706 /nfs/dbraw/zinc/39/77/06/383397706.db2.gz DRIRQLIGCGNJFQ-UHFFFAOYSA-N 2 0 272.339 2.685 20 0 CFADRP Cc1c[nH+]ccc1N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479371695 383403298 /nfs/dbraw/zinc/40/32/98/383403298.db2.gz OIRNTZARPYXRAV-UMVBOHGHSA-N 2 0 261.413 2.590 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000340287328 383405998 /nfs/dbraw/zinc/40/59/98/383405998.db2.gz ZNFGSUOZBNYPIL-CQSZACIVSA-N 2 0 291.439 2.701 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000525833105 383406055 /nfs/dbraw/zinc/40/60/55/383406055.db2.gz PRDBRCKBBOKMPE-IAGOWNOFSA-N 2 0 273.424 2.997 20 0 CFADRP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000468559354 383362194 /nfs/dbraw/zinc/36/21/94/383362194.db2.gz HNWJCWXAQMMBLC-HZPDHXFCSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)n1cncc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000425320202 383366876 /nfs/dbraw/zinc/36/68/76/383366876.db2.gz CFTURPBVFJQONM-UHFFFAOYSA-N 2 0 278.444 2.628 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249933901 383367031 /nfs/dbraw/zinc/36/70/31/383367031.db2.gz FMZNNOLZLIKKLO-ULQDDVLXSA-N 3 0 281.488 2.713 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340185181 383373281 /nfs/dbraw/zinc/37/32/81/383373281.db2.gz IKDDUVBTFLVLKH-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000340188513 383374459 /nfs/dbraw/zinc/37/44/59/383374459.db2.gz KUIORPPRSFUAGM-CQSZACIVSA-N 2 0 294.439 2.530 20 0 CFADRP C[NH2+]C1CC[NH+](C[C@@H](C)CCc2ccccc2)CC1 ZINC000469998247 383375147 /nfs/dbraw/zinc/37/51/47/383375147.db2.gz FDEUUKIGNQUEOE-HNNXBMFYSA-N 2 0 260.425 2.939 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250595643 383377801 /nfs/dbraw/zinc/37/78/01/383377801.db2.gz NOOBIOBCIYACIJ-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000250836659 383381518 /nfs/dbraw/zinc/38/15/18/383381518.db2.gz MUYKPXRQPBAIGW-RRFJBIMHSA-N 2 0 279.453 2.852 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000250890848 383382250 /nfs/dbraw/zinc/38/22/50/383382250.db2.gz CHSZAMKFZUFQEP-SCDSUCTJSA-N 2 0 252.427 2.875 20 0 CFADRP CC[C@@H]([NH2+]CCc1c[nH]c2ncccc12)[C@@H]1CCCC[NH2+]1 ZINC000568252759 383382825 /nfs/dbraw/zinc/38/28/25/383382825.db2.gz REXYQCQUMOZMNF-CVEARBPZSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[NH+]1CCCC1 ZINC000251057165 383384532 /nfs/dbraw/zinc/38/45/32/383384532.db2.gz BTTUSJDTMYTYOG-XMTFNYHQSA-N 2 0 293.499 2.619 20 0 CFADRP CCC(CC)c1cc(CNCc2cnc(C)n2C)on1 ZINC000568273507 383385816 /nfs/dbraw/zinc/38/58/16/383385816.db2.gz TWRSXFPNQCQSFU-UHFFFAOYSA-N 2 0 276.384 2.910 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340230451 383386578 /nfs/dbraw/zinc/38/65/78/383386578.db2.gz IXFZVNPAOSIOAJ-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000568662397 383424790 /nfs/dbraw/zinc/42/47/90/383424790.db2.gz ALARFEWNUIFSSO-UKRRQHHQSA-N 2 0 278.444 2.946 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634960686 383427102 /nfs/dbraw/zinc/42/71/02/383427102.db2.gz ZOJDFEFGBAMSQY-MRXNPFEDSA-N 2 0 298.434 2.840 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)C1CCOCC1 ZINC000568717294 383428719 /nfs/dbraw/zinc/42/87/19/383428719.db2.gz XCDPEEZJSMGDEU-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473011 383431850 /nfs/dbraw/zinc/43/18/50/383431850.db2.gz JUSDGZBRNUDEDL-KBPBESRZSA-N 2 0 256.434 2.510 20 0 CFADRP CCCc1nc(C)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000428236294 383434150 /nfs/dbraw/zinc/43/41/50/383434150.db2.gz JXYVVWHBLMSMAE-CQSZACIVSA-N 2 0 279.428 2.709 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000340475076 383434617 /nfs/dbraw/zinc/43/46/17/383434617.db2.gz KGMVYLWCVWYQPX-OKZBNKHCSA-N 3 0 293.499 2.715 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000340477195 383435364 /nfs/dbraw/zinc/43/53/64/383435364.db2.gz KUELCMXRMBHVJT-GFCCVEGCSA-N 2 0 282.403 2.790 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252853140 383437134 /nfs/dbraw/zinc/43/71/34/383437134.db2.gz IZWAKQVVOPFNNB-ULQDDVLXSA-N 2 0 258.409 2.808 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450498929 383439183 /nfs/dbraw/zinc/43/91/83/383439183.db2.gz HRGXUTKYEDULPV-KSZLIROESA-N 2 0 293.499 2.665 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000340491425 383441038 /nfs/dbraw/zinc/44/10/38/383441038.db2.gz ZTSRQFIVRQBENU-KRWDZBQOSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000340495168 383442451 /nfs/dbraw/zinc/44/24/51/383442451.db2.gz DSSWMOANBWIBHV-HOTGVXAUSA-N 2 0 292.471 2.618 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C/C=C\c1ccc(F)cc1F ZINC000568882800 383446430 /nfs/dbraw/zinc/44/64/30/383446430.db2.gz DLHBYILBDBMOTA-CBZSPVTBSA-N 2 0 254.324 2.693 20 0 CFADRP Fc1ccc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991786 383447308 /nfs/dbraw/zinc/44/73/08/383447308.db2.gz RJWZJDQXQIQLSC-NRAUKZCXSA-N 2 0 260.356 2.715 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340508950 383448758 /nfs/dbraw/zinc/44/87/58/383448758.db2.gz IVFIRBSUJSZPBL-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634994211 383449205 /nfs/dbraw/zinc/44/92/05/383449205.db2.gz VVKYJBYZYNEKOX-GOSISDBHSA-N 2 0 296.418 2.502 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995371 383450723 /nfs/dbraw/zinc/45/07/23/383450723.db2.gz CBUACYOVJKXVSH-CYBMUJFWSA-N 2 0 284.407 2.548 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1Cl ZINC000340515377 383451120 /nfs/dbraw/zinc/45/11/20/383451120.db2.gz BLJAXWCAMAPCSP-IUODEOHRSA-N 2 0 296.842 2.821 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000635002957 383459406 /nfs/dbraw/zinc/45/94/06/383459406.db2.gz CJMUUKMHKMHZRC-MMDVMMEASA-N 2 0 284.350 2.510 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003751 383459558 /nfs/dbraw/zinc/45/95/58/383459558.db2.gz BDKPXYCAFMIIHK-JHJVBQTASA-N 2 0 252.427 2.786 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000635003864 383459613 /nfs/dbraw/zinc/45/96/13/383459613.db2.gz FSWDPCAFTKCJHD-KBUPBQIOSA-N 2 0 268.445 2.686 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000635003863 383460094 /nfs/dbraw/zinc/46/00/94/383460094.db2.gz FSWDPCAFTKCJHD-AJNGGQMLSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000635005021 383461227 /nfs/dbraw/zinc/46/12/27/383461227.db2.gz GVKAMLPXAAOHFL-IIAWOOMASA-N 2 0 273.424 2.706 20 0 CFADRP CC(C)(F)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635006292 383463539 /nfs/dbraw/zinc/46/35/39/383463539.db2.gz YCEMQGPZJCMQEB-XJKSGUPXSA-N 2 0 278.371 2.580 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1F ZINC000635008425 383464107 /nfs/dbraw/zinc/46/41/07/383464107.db2.gz UFFFXPXAHUDGFK-JHJVBQTASA-N 2 0 250.361 2.994 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000527223227 383465066 /nfs/dbraw/zinc/46/50/66/383465066.db2.gz XWKJBCAIHLLICU-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635009393 383465300 /nfs/dbraw/zinc/46/53/00/383465300.db2.gz VCLHTFINDLFGBW-KGLIPLIRSA-N 2 0 261.413 2.693 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000635009394 383466044 /nfs/dbraw/zinc/46/60/44/383466044.db2.gz YGJHYJQALZDKEV-KBRIMQKVSA-N 2 0 258.409 2.651 20 0 CFADRP c1cc(N2CC[NH2+]CC2)cc(N[C@H]2CCC23CCCC3)[nH+]1 ZINC000635010663 383466502 /nfs/dbraw/zinc/46/65/02/383466502.db2.gz UILKNJQAVMUXJB-HNNXBMFYSA-N 2 0 286.423 2.626 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010903 383466752 /nfs/dbraw/zinc/46/67/52/383466752.db2.gz LHDGXPTWQUESQB-JQWIXIFHSA-N 2 0 267.442 2.880 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCSCC1 ZINC000635010660 383466878 /nfs/dbraw/zinc/46/68/78/383466878.db2.gz KWVOJFNEIYELQO-TZMCWYRMSA-N 2 0 270.486 2.886 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000635010769 383467087 /nfs/dbraw/zinc/46/70/87/383467087.db2.gz BCSVODJCJIBSPW-GPANFISMSA-N 2 0 280.456 2.833 20 0 CFADRP Cc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)o1 ZINC000635010363 383467396 /nfs/dbraw/zinc/46/73/96/383467396.db2.gz SKOWFTTZEVZTSP-ZDUSSCGKSA-N 2 0 286.379 2.566 20 0 CFADRP c1cc(N2CC[NH2+]CC2)cc(N[C@@H]2CCC23CCCC3)[nH+]1 ZINC000635010664 383467431 /nfs/dbraw/zinc/46/74/31/383467431.db2.gz UILKNJQAVMUXJB-OAHLLOKOSA-N 2 0 286.423 2.626 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635010375 383467492 /nfs/dbraw/zinc/46/74/92/383467492.db2.gz ZJZZDHAWBIYZFJ-IRXDYDNUSA-N 2 0 278.440 2.597 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012298 383467918 /nfs/dbraw/zinc/46/79/18/383467918.db2.gz SFPCMKZARUOTHX-OCCSQVGLSA-N 2 0 250.386 2.578 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C12CCC2 ZINC000635012366 383468613 /nfs/dbraw/zinc/46/86/13/383468613.db2.gz TUEXVGZTMAMSRL-SOUVJXGZSA-N 2 0 280.456 2.702 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1O ZINC000635012321 383468670 /nfs/dbraw/zinc/46/86/70/383468670.db2.gz SMGDDKPSGUNVNG-JSGCOSHPSA-N 2 0 292.423 2.830 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635013449 383469328 /nfs/dbraw/zinc/46/93/28/383469328.db2.gz TVSLQKZZUDPRSI-GOEBONIOSA-N 2 0 257.381 2.918 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013871 383470404 /nfs/dbraw/zinc/47/04/04/383470404.db2.gz JCJLEXIHDNBXHC-JSGCOSHPSA-N 2 0 284.831 2.523 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635013887 383470498 /nfs/dbraw/zinc/47/04/98/383470498.db2.gz XEOKDPRRORYTSS-IAGOWNOFSA-N 2 0 274.408 2.509 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013872 383470746 /nfs/dbraw/zinc/47/07/46/383470746.db2.gz JCJLEXIHDNBXHC-OCCSQVGLSA-N 2 0 284.831 2.523 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635023885 383474879 /nfs/dbraw/zinc/47/48/79/383474879.db2.gz UAOYYYJGLVMXAN-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)o1 ZINC000569228208 383479572 /nfs/dbraw/zinc/47/95/72/383479572.db2.gz MUQNFOPJTVRPDL-ZBFHGGJFSA-N 2 0 271.364 2.568 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000487545505 383479969 /nfs/dbraw/zinc/47/99/69/383479969.db2.gz ZDSMAPYPQUMTKS-CABCVRRESA-N 2 0 270.486 2.697 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@@H](C(C)C)N1CCCCCC1 ZINC000480536016 383417982 /nfs/dbraw/zinc/41/79/82/383417982.db2.gz MKVXATKBCZGYHG-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)C1CCCCC1 ZINC000480758462 383421016 /nfs/dbraw/zinc/42/10/16/383421016.db2.gz CVVGVLBTORKVEJ-MRXNPFEDSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000261708303 383546598 /nfs/dbraw/zinc/54/65/98/383546598.db2.gz JEGJYQHTRZKHRD-ZDUSSCGKSA-N 2 0 288.313 2.756 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340683827 383491087 /nfs/dbraw/zinc/49/10/87/383491087.db2.gz RDJWEJIJGKAGTP-OAHLLOKOSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC2CCOCC2)C1 ZINC000340701707 383492375 /nfs/dbraw/zinc/49/23/75/383492375.db2.gz QEFMXFXZHIVDGC-UXLLHSPISA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC2CCOCC2)C1 ZINC000340701705 383492686 /nfs/dbraw/zinc/49/26/86/383492686.db2.gz QEFMXFXZHIVDGC-HLLBOEOZSA-N 2 0 280.456 2.750 20 0 CFADRP Cc1ccc(CC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000257642712 383496486 /nfs/dbraw/zinc/49/64/86/383496486.db2.gz BGMMKDNMEBHPIC-UHFFFAOYSA-N 2 0 258.409 2.613 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCC1 ZINC000569425251 383497570 /nfs/dbraw/zinc/49/75/70/383497570.db2.gz UMBHJWIKBNPHRD-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[NH2+]C(C)C ZINC000569447548 383500453 /nfs/dbraw/zinc/50/04/53/383500453.db2.gz AHAAGUXYXULHQG-HNNXBMFYSA-N 2 0 280.387 2.799 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261563065 383513070 /nfs/dbraw/zinc/51/30/70/383513070.db2.gz GUVBSNRJDCUYMI-KXNHARMFSA-N 2 0 264.335 2.695 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261570189 383515295 /nfs/dbraw/zinc/51/52/95/383515295.db2.gz KENHYEDEGQDIPR-CBBWQLFWSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCCCO1 ZINC000261572732 383516079 /nfs/dbraw/zinc/51/60/79/383516079.db2.gz UQDRTHJJVYBSIC-BZUAXINKSA-N 2 0 268.445 2.846 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000261572337 383516526 /nfs/dbraw/zinc/51/65/26/383516526.db2.gz TULIQSIADOECEL-BFYDXBDKSA-N 2 0 258.409 2.864 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000429412386 383528701 /nfs/dbraw/zinc/52/87/01/383528701.db2.gz MNRMTCWYICRXSC-RRFJBIMHSA-N 2 0 268.445 2.797 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000261648241 383537337 /nfs/dbraw/zinc/53/73/37/383537337.db2.gz AUJVBOQNRXUXFM-UHFFFAOYSA-N 2 0 293.411 2.867 20 0 CFADRP CCOc1c(Cl)cccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000261656333 383538673 /nfs/dbraw/zinc/53/86/73/383538673.db2.gz BIRQRVDIDUPTBC-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CCN1C ZINC000488446237 383541269 /nfs/dbraw/zinc/54/12/69/383541269.db2.gz GUOVHXMNZSLEDS-AAVRWANBSA-N 2 0 270.486 2.979 20 0 CFADRP C[C@]1(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000261684066 383541830 /nfs/dbraw/zinc/54/18/30/383541830.db2.gz ABJJAJIPFLDERB-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP CO[C@@H](Cc1ccccc1)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000450905794 383544654 /nfs/dbraw/zinc/54/46/54/383544654.db2.gz OVZZDPQRXMMLMG-SFHVURJKSA-N 2 0 290.451 2.662 20 0 CFADRP CC[N@H+](CCc1cccs1)C[C@]1(C)CC[NH2+]C1 ZINC000261876355 383574516 /nfs/dbraw/zinc/57/45/16/383574516.db2.gz QAZWIYHIUOCYHX-CQSZACIVSA-N 2 0 252.427 2.612 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000450981552 383576590 /nfs/dbraw/zinc/57/65/90/383576590.db2.gz IYGWKHMTEGMEJF-KZNAEPCWSA-N 2 0 293.499 2.808 20 0 CFADRP CC[N@H+](Cc1cccc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261902687 383578489 /nfs/dbraw/zinc/57/84/89/383578489.db2.gz WGUNKUHJNZFKMK-OAHLLOKOSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261923282 383580669 /nfs/dbraw/zinc/58/06/69/383580669.db2.gz BVDZFNVHIFRLBN-RDJZCZTQSA-N 2 0 276.399 2.690 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261933336 383581499 /nfs/dbraw/zinc/58/14/99/383581499.db2.gz LTPQHFUYSYTZDH-INIZCTEOSA-N 2 0 274.408 2.646 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000261929480 383581605 /nfs/dbraw/zinc/58/16/05/383581605.db2.gz LIMLYFHOEVOHPB-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC34CCC(CC3)C4)C2)C1 ZINC000451071933 383582051 /nfs/dbraw/zinc/58/20/51/383582051.db2.gz UKWQMQWYQNKRLT-OFLPRAFFSA-N 2 0 262.441 2.984 20 0 CFADRP Cc1ccc2cc(C[N@@H+](C)C3CC[NH2+]CC3)ccc2n1 ZINC000261938010 383582761 /nfs/dbraw/zinc/58/27/61/383582761.db2.gz MHXPTOYXMUHWFQ-UHFFFAOYSA-N 2 0 269.392 2.727 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000261948710 383583759 /nfs/dbraw/zinc/58/37/59/383583759.db2.gz NQKRWEYWJOVLRC-WDEREUQCSA-N 2 0 267.442 2.610 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261947688 383584347 /nfs/dbraw/zinc/58/43/47/383584347.db2.gz NMLKMECIXPRZQX-CGTJXYLNSA-N 2 0 288.435 2.817 20 0 CFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000451237856 383585181 /nfs/dbraw/zinc/58/51/81/383585181.db2.gz WZTHCSHPDUHFIS-OAGGEKHMSA-N 2 0 296.455 2.572 20 0 CFADRP CCc1cc(OC)ccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000261968434 383588868 /nfs/dbraw/zinc/58/88/68/383588868.db2.gz QAUUKRRFLHHCDX-CYBMUJFWSA-N 2 0 276.424 2.817 20 0 CFADRP CCc1cc(NC[C@H](C)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000488976822 383588866 /nfs/dbraw/zinc/58/88/66/383588866.db2.gz CZSUVXBKGAWCLZ-ZDUSSCGKSA-N 2 0 271.408 2.829 20 0 CFADRP Fc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261979711 383589844 /nfs/dbraw/zinc/58/98/44/383589844.db2.gz REYIGPUZLVGYFE-UKRRQHHQSA-N 2 0 262.372 2.615 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262026683 383596111 /nfs/dbraw/zinc/59/61/11/383596111.db2.gz WQIWHCLRPKJDDR-CQSZACIVSA-N 2 0 276.424 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000430760439 383598952 /nfs/dbraw/zinc/59/89/52/383598952.db2.gz IUZZSVDGFSQTFK-AGIUHOORSA-N 2 0 260.372 2.742 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000430923228 383612491 /nfs/dbraw/zinc/61/24/91/383612491.db2.gz DUFSDDWRDRSUEX-QGZVFWFLSA-N 2 0 298.434 2.530 20 0 CFADRP Cc1ccc(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262095386 383603403 /nfs/dbraw/zinc/60/34/03/383603403.db2.gz VBNMCVXXXHKXSJ-KRWDZBQOSA-N 2 0 273.424 2.569 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccsc1 ZINC000422802820 532994629 /nfs/dbraw/zinc/99/46/29/532994629.db2.gz DZKWHCULXRJODE-CJNGLKHVSA-N 2 0 274.433 2.839 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262100084 383605485 /nfs/dbraw/zinc/60/54/85/383605485.db2.gz VMCKIWHPZMZXIW-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000570462291 383605657 /nfs/dbraw/zinc/60/56/57/383605657.db2.gz CRPYDUCVCBBKIS-MWNCTCPHSA-N 2 0 280.387 2.761 20 0 CFADRP C[C@]1(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262130347 383607663 /nfs/dbraw/zinc/60/76/63/383607663.db2.gz YBQOFTCSKAYAEV-KRWDZBQOSA-N 2 0 292.398 2.669 20 0 CFADRP c1c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)onc1-c1ccccc1 ZINC000261758573 383553512 /nfs/dbraw/zinc/55/35/12/383553512.db2.gz UQNICOIZTUEZQO-GOEBONIOSA-N 2 0 283.375 2.525 20 0 CFADRP [NH3+]C1(c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)CCC1 ZINC000261768746 383557208 /nfs/dbraw/zinc/55/72/08/383557208.db2.gz MXXLLACEGNBAHM-UHFFFAOYSA-N 2 0 298.390 2.670 20 0 CFADRP C[C@@]1(C[NH3+])CCN(Cc2coc(-c3ccccc3)n2)C1 ZINC000261783109 383560289 /nfs/dbraw/zinc/56/02/89/383560289.db2.gz PSNPJUONUVVFRJ-INIZCTEOSA-N 2 0 271.364 2.512 20 0 CFADRP Cn1cc(CN2CC[C@@](C)(C[NH3+])C2)c(C2CCCCC2)n1 ZINC000261813374 383564149 /nfs/dbraw/zinc/56/41/49/383564149.db2.gz XBSJAQFDLINDMO-KRWDZBQOSA-N 2 0 290.455 2.639 20 0 CFADRP FC(F)(F)c1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261856079 383571498 /nfs/dbraw/zinc/57/14/98/383571498.db2.gz XIFVVPKYZBTZPT-JSGCOSHPSA-N 2 0 284.325 2.889 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C1 ZINC000570826589 383639645 /nfs/dbraw/zinc/63/96/45/383639645.db2.gz HTIJQWVNFVTBAI-ILXRZTDVSA-N 2 0 293.480 2.745 20 0 CFADRP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C1CC1 ZINC000570919162 383647226 /nfs/dbraw/zinc/64/72/26/383647226.db2.gz DATDKTIQZNLQNL-GOEBONIOSA-N 2 0 269.392 2.872 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000570556033 383613857 /nfs/dbraw/zinc/61/38/57/383613857.db2.gz LTLIUYSKSAJQGU-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP COc1ccc(OCCC[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430952444 383614776 /nfs/dbraw/zinc/61/47/76/383614776.db2.gz YXQJTEJYHNMEDG-AWEZNQCLSA-N 2 0 292.423 2.523 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccccc2)CC1 ZINC000570579144 383616483 /nfs/dbraw/zinc/61/64/83/383616483.db2.gz CESODMCNUWYPQY-ROUUACIJSA-N 2 0 290.451 2.569 20 0 CFADRP Fc1cccc(CCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431028277 383624081 /nfs/dbraw/zinc/62/40/81/383624081.db2.gz OMEDKSTUJTWDPU-UHFFFAOYSA-N 2 0 276.399 2.834 20 0 CFADRP CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431100458 383630043 /nfs/dbraw/zinc/63/00/43/383630043.db2.gz MLBFDWHYQNZLJV-LLVKDONJSA-N 2 0 280.416 2.664 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000570785266 383633853 /nfs/dbraw/zinc/63/38/53/383633853.db2.gz HPLLAOVHTJWLHS-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]CCC(C)(C)C)CCCO1 ZINC000433026964 383754028 /nfs/dbraw/zinc/75/40/28/383754028.db2.gz ITZURCUOZFLQKP-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C1=C(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000645811323 383756370 /nfs/dbraw/zinc/75/63/70/383756370.db2.gz JUUPLIUCFSJLDV-UHFFFAOYSA-N 2 0 278.440 2.674 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ncc(C)cc2C)C1 ZINC000645811764 383756575 /nfs/dbraw/zinc/75/65/75/383756575.db2.gz JZRLWLOYHRBFJV-KRWDZBQOSA-N 2 0 289.467 2.905 20 0 CFADRP CC1=CC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)CC1 ZINC000572140646 383759364 /nfs/dbraw/zinc/75/93/64/383759364.db2.gz WCLUYAGESMCTKQ-INIZCTEOSA-N 2 0 289.423 2.610 20 0 CFADRP CC[C@H](C[NH2+][C@H](CC)c1ccncc1)N1CCCC1 ZINC000453100256 383766440 /nfs/dbraw/zinc/76/64/40/383766440.db2.gz YJVCDGPIUXVNCH-HZPDHXFCSA-N 2 0 261.413 2.997 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCC1 ZINC000453101239 383766470 /nfs/dbraw/zinc/76/64/70/383766470.db2.gz NNJFLKIEJGZSFO-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453110563 383770738 /nfs/dbraw/zinc/77/07/38/383770738.db2.gz QJAJDFVBLUCRNE-MRXNPFEDSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCC1 ZINC000453134959 383779983 /nfs/dbraw/zinc/77/99/83/383779983.db2.gz OATWLPBXWPIYPI-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453123534 383774268 /nfs/dbraw/zinc/77/42/68/383774268.db2.gz ZBFQSQIQJMALMY-ZWKOTPCHSA-N 2 0 294.483 2.638 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccncn1 ZINC000453121731 383774947 /nfs/dbraw/zinc/77/49/47/383774947.db2.gz OHHYBVSYSHJLET-OAHLLOKOSA-N 2 0 276.428 2.783 20 0 CFADRP C[C@@H](Nc1cc[nH+]c2ccccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000264709017 383775003 /nfs/dbraw/zinc/77/50/03/383775003.db2.gz FZLLFGAEFPDTDE-ZIAGYGMSSA-N 2 0 285.391 2.756 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCCC2(C)C)CC1(C)C ZINC000571027304 383660353 /nfs/dbraw/zinc/66/03/53/383660353.db2.gz AENUEAWVEFRCIK-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572728441 383811028 /nfs/dbraw/zinc/81/10/28/383811028.db2.gz OWRWZESUMAZYDI-MRXNPFEDSA-N 2 0 288.435 2.581 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccnc3ccccc23)CCC[NH2+]C1 ZINC000572732230 383811369 /nfs/dbraw/zinc/81/13/69/383811369.db2.gz COAYKHGVLVMONK-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@H](c1cnccn1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532458 383818095 /nfs/dbraw/zinc/81/80/95/383818095.db2.gz DOLPZGDLTBBOTB-OAHLLOKOSA-N 2 0 276.428 2.736 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCO[C@@H]1CCCCO1 ZINC000640533171 383819953 /nfs/dbraw/zinc/81/99/53/383819953.db2.gz NVAAWAXVCFNCSR-QGZVFWFLSA-N 2 0 298.471 2.728 20 0 CFADRP CO[C@H](C[N@H+](C)CCCC[NH+]1CCCCC1)C1CCC1 ZINC000640534675 383820226 /nfs/dbraw/zinc/82/02/26/383820226.db2.gz RNZQNFLFAPHEQQ-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCO[C@H]1CC1(F)F ZINC000640534073 383820270 /nfs/dbraw/zinc/82/02/70/383820270.db2.gz KRQIVAQGTSLERC-AWEZNQCLSA-N 2 0 290.398 2.609 20 0 CFADRP C[NH2+]CCC[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000435880965 383781835 /nfs/dbraw/zinc/78/18/35/383781835.db2.gz RUJJXUDUVPVBHX-UYSNPLJNSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000436267935 383794847 /nfs/dbraw/zinc/79/48/47/383794847.db2.gz FKMGKSBENQMFGO-OAHLLOKOSA-N 2 0 291.439 2.692 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@H]([NH3+])C3)C2)cc1F ZINC000572974831 383851189 /nfs/dbraw/zinc/85/11/89/383851189.db2.gz AQUKWXZIZYNAOD-AJNGGQMLSA-N 2 0 292.398 2.940 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(C)n1 ZINC000453409460 383852863 /nfs/dbraw/zinc/85/28/63/383852863.db2.gz UGVAWUDJMWDSQT-LBPRGKRZSA-N 2 0 276.428 2.618 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1c[nH]nc1C(C)(C)C)C1CC1 ZINC000453591482 383863442 /nfs/dbraw/zinc/86/34/42/383863442.db2.gz CGLFEVKYZCQPKZ-UHFFFAOYSA-N 2 0 278.444 2.671 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccnn1C1CCCC1)C1CC1 ZINC000453600152 383869342 /nfs/dbraw/zinc/86/93/42/383869342.db2.gz ROMOFMCLZSGCDX-UHFFFAOYSA-N 2 0 290.455 2.962 20 0 CFADRP C[C@H]1CCC[C@@H](CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646104323 383872117 /nfs/dbraw/zinc/87/21/17/383872117.db2.gz AADAKBHDLVXJPS-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000453604011 383872714 /nfs/dbraw/zinc/87/27/14/383872714.db2.gz RGIZSDPRROIYFP-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000531704394 383907968 /nfs/dbraw/zinc/90/79/68/383907968.db2.gz SIPWVUQLHQDJQZ-BRSBDYLESA-N 3 0 295.515 2.959 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc2ccccc2s1 ZINC000422902014 533019811 /nfs/dbraw/zinc/01/98/11/533019811.db2.gz MHGYNJMCJNWCCD-ZDUSSCGKSA-N 2 0 278.421 2.745 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000532211559 383991421 /nfs/dbraw/zinc/99/14/21/383991421.db2.gz FEYZPUHLYFUULX-INIZCTEOSA-N 2 0 250.430 2.885 20 0 CFADRP CCc1[nH+]c2ccccc2c(NCC[NH+](C)C)c1C ZINC000573794103 383991792 /nfs/dbraw/zinc/99/17/92/383991792.db2.gz CQGLRTIBXFNDSW-UHFFFAOYSA-N 2 0 257.381 2.501 20 0 CFADRP COC1CCC(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000532235611 383997615 /nfs/dbraw/zinc/99/76/15/383997615.db2.gz FUQZMITXLOTRFY-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573815580 383998499 /nfs/dbraw/zinc/99/84/99/383998499.db2.gz SJPBNMPWSDQMPA-HZMVEIRTSA-N 3 0 281.488 2.747 20 0 CFADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000573479216 383936313 /nfs/dbraw/zinc/93/63/13/383936313.db2.gz UOHAGJGPBISVTQ-HZPDHXFCSA-N 2 0 290.451 2.777 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000573488778 383937775 /nfs/dbraw/zinc/93/77/75/383937775.db2.gz CPPGYPNEKYZECB-KBPBESRZSA-N 2 0 286.423 2.611 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000531975438 383950647 /nfs/dbraw/zinc/95/06/47/383950647.db2.gz JAHWQBNMQNDMJN-YJBOKZPZSA-N 2 0 290.451 2.804 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)C1CCOCC1 ZINC000531980678 383951411 /nfs/dbraw/zinc/95/14/11/383951411.db2.gz UESNOBBIENVFJF-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CCCCN1CCCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000438176493 383963798 /nfs/dbraw/zinc/96/37/98/383963798.db2.gz KRAFLFTYIAQKHF-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000574149165 384051243 /nfs/dbraw/zinc/05/12/43/384051243.db2.gz GPBHRAPJAYEMBS-WFASDCNBSA-N 2 0 262.397 2.518 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC000070359134 412974328 /nfs/dbraw/zinc/97/43/28/412974328.db2.gz AYAJGCHTZFGFNC-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000574400324 384089198 /nfs/dbraw/zinc/08/91/98/384089198.db2.gz HPTGGBVIUMZGDV-HZSPNIEDSA-N 2 0 292.448 2.517 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000574171315 384057205 /nfs/dbraw/zinc/05/72/05/384057205.db2.gz VWUIYWRLPTZXMT-YYIAUSFCSA-N 2 0 292.398 2.905 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000574413365 384093190 /nfs/dbraw/zinc/09/31/90/384093190.db2.gz GCWOUPVPRXXKGK-XUWVNRHRSA-N 2 0 281.488 2.602 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2sccc2C)[C@H](C)C1 ZINC000266144825 384094134 /nfs/dbraw/zinc/09/41/34/384094134.db2.gz VLBQIERJGZVRPR-OLZOCXBDSA-N 2 0 252.427 2.876 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000574638407 384124906 /nfs/dbraw/zinc/12/49/06/384124906.db2.gz RIFFATFPNCGJSB-NSHDSACASA-N 2 0 265.426 2.581 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCCNc2ncnc(N)c2Cl)C1 ZINC000277307739 384263104 /nfs/dbraw/zinc/26/31/04/384263104.db2.gz CPYRUEKLVWBCAV-LLVKDONJSA-N 2 0 297.834 2.636 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637958098 384307814 /nfs/dbraw/zinc/30/78/14/384307814.db2.gz MAKHOFNYULNGAG-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccns2)CC1 ZINC000637958691 384309220 /nfs/dbraw/zinc/30/92/20/384309220.db2.gz URNXBEICIBYOCD-UHFFFAOYSA-N 2 0 267.442 2.695 20 0 CFADRP C[C@@H](CNCc1cc(Cl)cc(Cl)c1N)C[NH+](C)C ZINC000641756136 384322122 /nfs/dbraw/zinc/32/21/22/384322122.db2.gz CCSXTBAGSFCEDB-VIFPVBQESA-N 2 0 290.238 2.863 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000641797649 384362941 /nfs/dbraw/zinc/36/29/41/384362941.db2.gz FCMCISQIDJJHQY-AWEZNQCLSA-N 2 0 277.412 2.509 20 0 CFADRP CC[C@@H]1CN(Cc2nsc3ccccc32)CC[C@H]1[NH3+] ZINC000641798772 384365825 /nfs/dbraw/zinc/36/58/25/384365825.db2.gz MMDFZPIQRKGLAM-DGCLKSJQSA-N 2 0 275.421 2.856 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000641801615 384369541 /nfs/dbraw/zinc/36/95/41/384369541.db2.gz TYYBZJHPMQEUPP-OLZOCXBDSA-N 2 0 286.391 2.772 20 0 CFADRP Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802201 384370547 /nfs/dbraw/zinc/37/05/47/384370547.db2.gz ZKCBGTRNGDBBCR-HUUCEWRRSA-N 2 0 261.413 2.729 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccc(F)cc1Cl ZINC000641803004 384370793 /nfs/dbraw/zinc/37/07/93/384370793.db2.gz QSWIRFRXJNPIPF-CHWSQXEVSA-N 2 0 286.778 2.573 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1Cl ZINC000641802344 384371148 /nfs/dbraw/zinc/37/11/48/384371148.db2.gz JKDGWUAYIJQYSN-CHWSQXEVSA-N 2 0 268.788 2.564 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1cccc2ccccc21 ZINC000641805369 384372711 /nfs/dbraw/zinc/37/27/11/384372711.db2.gz NICQXJPCWBAUGW-SJORKVTESA-N 2 0 284.403 2.934 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)OC ZINC000638109110 384421468 /nfs/dbraw/zinc/42/14/68/384421468.db2.gz CMPOJIJWXBAHSC-FZKCQIBNSA-N 2 0 270.461 2.852 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)ns2)[C@H](C)C1 ZINC000638111912 384424813 /nfs/dbraw/zinc/42/48/13/384424813.db2.gz HFJHTNBKSRAQLL-BXUZGUMPSA-N 2 0 267.442 2.614 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641807961 384375938 /nfs/dbraw/zinc/37/59/38/384375938.db2.gz WEFUOLGFIYDEFR-OLZOCXBDSA-N 2 0 250.411 2.624 20 0 CFADRP Cc1nc(-c2ccccc2)oc1CN1CC2CC1(C[NH3+])C2 ZINC000641823081 384381319 /nfs/dbraw/zinc/38/13/19/384381319.db2.gz QCRROAQDIBSHSY-UHFFFAOYSA-N 2 0 283.375 2.573 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)OC ZINC000638134219 384445426 /nfs/dbraw/zinc/44/54/26/384445426.db2.gz MMWBZVGWTYSYNH-UAGQMJEPSA-N 2 0 282.472 2.711 20 0 CFADRP Cc1ccc(NC(=O)[C@@H]([NH3+])CCC(C)C)c(C[NH+](C)C)c1 ZINC000638116283 384429522 /nfs/dbraw/zinc/42/95/22/384429522.db2.gz LLYRGUAWJOYPLM-HNNXBMFYSA-N 2 0 291.439 2.759 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000638120095 384434057 /nfs/dbraw/zinc/43/40/57/384434057.db2.gz CYJOULDUWHBZQG-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[C@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)OC ZINC000638123457 384436427 /nfs/dbraw/zinc/43/64/27/384436427.db2.gz WMCBZGPABHRMFH-MRXNPFEDSA-N 2 0 270.461 2.855 20 0 CFADRP c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sn1 ZINC000638184214 384477823 /nfs/dbraw/zinc/47/78/23/384477823.db2.gz YBSMNUHAHMMQED-WFASDCNBSA-N 2 0 277.437 2.592 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2c1 ZINC000643030969 384479896 /nfs/dbraw/zinc/47/98/96/384479896.db2.gz DESNRMIYABQJTF-XJKSGUPXSA-N 2 0 267.376 2.731 20 0 CFADRP Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2[nH+]1 ZINC000643034324 384482419 /nfs/dbraw/zinc/48/24/19/384482419.db2.gz XLZFFIPHCGYOCS-XJKSGUPXSA-N 2 0 267.376 2.731 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCC(C)C)cc1 ZINC000643056794 384487984 /nfs/dbraw/zinc/48/79/84/384487984.db2.gz KANIAPYUDIUSHZ-HNNXBMFYSA-N 2 0 264.413 2.715 20 0 CFADRP c1ccc2c(c1)COC21CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000643058170 384488023 /nfs/dbraw/zinc/48/80/23/384488023.db2.gz KCONJFMGNIFQDL-HNNXBMFYSA-N 2 0 286.419 2.508 20 0 CFADRP C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000643058161 384488439 /nfs/dbraw/zinc/48/84/39/384488439.db2.gz JWJROZMPMTXRQJ-CHWSQXEVSA-N 2 0 262.372 2.744 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000289382938 197320740 /nfs/dbraw/zinc/32/07/40/197320740.db2.gz QFODHLHZPRCJCZ-UHFFFAOYSA-N 2 0 275.440 2.596 20 0 CFADRP Cc1nc(F)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000278325943 384528225 /nfs/dbraw/zinc/52/82/25/384528225.db2.gz FIQHKWLHUITHHP-GOOCMWNKSA-N 2 0 277.387 2.634 20 0 CFADRP COCCC[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638288974 384533051 /nfs/dbraw/zinc/53/30/51/384533051.db2.gz HOCPOQXPMUDVIV-SJLPKXTDSA-N 2 0 288.435 2.981 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]CCC[NH+]1CCCCC1)OC ZINC000638307757 384547916 /nfs/dbraw/zinc/54/79/16/384547916.db2.gz KPDSUNCGGWQVJE-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000278382043 384549178 /nfs/dbraw/zinc/54/91/78/384549178.db2.gz CKYFGWHYSKDZBW-CABCVRRESA-N 2 0 294.414 2.977 20 0 CFADRP c1ccc(CN2CC[C@@H]([NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000278399835 384558552 /nfs/dbraw/zinc/55/85/52/384558552.db2.gz NNEUQZQQYNZUOK-HZPDHXFCSA-N 2 0 276.449 2.604 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CS1 ZINC000638381777 384608938 /nfs/dbraw/zinc/60/89/38/384608938.db2.gz PHOBEAGVKMXGPT-UKRRQHHQSA-N 2 0 294.464 2.611 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000638385716 384611823 /nfs/dbraw/zinc/61/18/23/384611823.db2.gz JFUYYTMVICHLCF-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638387392 384613694 /nfs/dbraw/zinc/61/36/94/384613694.db2.gz DKTSFSBPGBRICG-HNNXBMFYSA-N 2 0 290.451 2.881 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638366273 384592417 /nfs/dbraw/zinc/59/24/17/384592417.db2.gz MMJAAQVXDBWEKI-MRXNPFEDSA-N 2 0 290.451 2.781 20 0 CFADRP CCOC1CC(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638370368 384596102 /nfs/dbraw/zinc/59/61/02/384596102.db2.gz CAHXFYSIVAPNKT-RYTJFDOTSA-N 2 0 282.472 2.759 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000643497310 384663668 /nfs/dbraw/zinc/66/36/68/384663668.db2.gz FSTHTGGSASZTFX-ZDUSSCGKSA-N 2 0 278.465 2.929 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000643498875 384663753 /nfs/dbraw/zinc/66/37/53/384663753.db2.gz QHQXIFNFTHBIHC-INIZCTEOSA-N 2 0 262.397 2.662 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000643497345 384663764 /nfs/dbraw/zinc/66/37/64/384663764.db2.gz ISNVEBCYQQBIOR-LLVKDONJSA-N 2 0 260.372 2.790 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000643500794 384665386 /nfs/dbraw/zinc/66/53/86/384665386.db2.gz KCFXAZDLWKGGRF-MEBBXXQBSA-N 2 0 266.335 2.541 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000643500792 384665399 /nfs/dbraw/zinc/66/53/99/384665399.db2.gz KCFXAZDLWKGGRF-BMIGLBTASA-N 2 0 266.335 2.541 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638452339 384670610 /nfs/dbraw/zinc/67/06/10/384670610.db2.gz XMGNCLWQZTYFIK-LVQVYYBASA-N 2 0 250.430 2.744 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638452447 384671121 /nfs/dbraw/zinc/67/11/21/384671121.db2.gz ZVNQVIKGDLBTGA-OAHLLOKOSA-N 2 0 285.435 3.000 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000643503642 384673505 /nfs/dbraw/zinc/67/35/05/384673505.db2.gz RDGCMIDSKKACIJ-QKFMDRJYSA-N 2 0 266.335 2.812 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000638455945 384674263 /nfs/dbraw/zinc/67/42/63/384674263.db2.gz YFUJHHFGUAWUCV-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000638412389 384634566 /nfs/dbraw/zinc/63/45/66/384634566.db2.gz OWAMRRGRDHXQIS-BRWVUGGUSA-N 2 0 280.456 2.558 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453220 384634992 /nfs/dbraw/zinc/63/49/92/384634992.db2.gz PMVRPEWDOVWBAN-WQVCFCJDSA-N 2 0 293.842 2.636 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453240 384635066 /nfs/dbraw/zinc/63/50/66/384635066.db2.gz RKQWQUKBRSWGLQ-YNEHKIRRSA-N 2 0 297.393 2.507 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000643457097 384637011 /nfs/dbraw/zinc/63/70/11/384637011.db2.gz USTQJLBNSDGNHS-IRXDYDNUSA-N 2 0 260.425 2.953 20 0 CFADRP CCOC1CC(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000638417166 384638289 /nfs/dbraw/zinc/63/82/89/384638289.db2.gz HCFVCXVNYMYXPX-KWJBXHGQSA-N 2 0 282.472 2.758 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000643458240 384639081 /nfs/dbraw/zinc/63/90/81/384639081.db2.gz COYWCXBAYHQRFU-UPJWGTAASA-N 2 0 250.386 2.862 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)OC ZINC000638427209 384646095 /nfs/dbraw/zinc/64/60/95/384646095.db2.gz UTNLMXJMWYPHSB-CJNGLKHVSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000643466772 384646457 /nfs/dbraw/zinc/64/64/57/384646457.db2.gz MXGYVXZZCHUPJG-KFWWJZLASA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])[C@H]1CCCCO1 ZINC000643466863 384646603 /nfs/dbraw/zinc/64/66/03/384646603.db2.gz VNUZGCSCGMXCQR-RRFJBIMHSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000643466618 384646662 /nfs/dbraw/zinc/64/66/62/384646662.db2.gz IZQKDDNCHOHPPY-KKUMJFAQSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000643468072 384648866 /nfs/dbraw/zinc/64/88/66/384648866.db2.gz QGEGPAMOTHRWSJ-DYVFJYSZSA-N 2 0 258.409 2.968 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000643474170 384651972 /nfs/dbraw/zinc/65/19/72/384651972.db2.gz LLZSSPYCIPIQAM-VNCIIQTRSA-N 2 0 290.451 2.618 20 0 CFADRP Cc1occc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643472171 384653156 /nfs/dbraw/zinc/65/31/56/384653156.db2.gz CXNFUHLMFOMIOX-FUHWJXTLSA-N 2 0 298.386 2.934 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000643493793 384662048 /nfs/dbraw/zinc/66/20/48/384662048.db2.gz PBGRYAXVBXEUES-KKUMJFAQSA-N 2 0 278.440 2.979 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545407 384724032 /nfs/dbraw/zinc/72/40/32/384724032.db2.gz MHJPUTGMBZTDFB-LBPRGKRZSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546287 384725465 /nfs/dbraw/zinc/72/54/65/384725465.db2.gz LYEWTWZLDZNTJT-OLZOCXBDSA-N 2 0 264.438 2.943 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000643508411 384679956 /nfs/dbraw/zinc/67/99/56/384679956.db2.gz FTMIMCQUGZLTLU-ZBFHGGJFSA-N 2 0 264.413 2.740 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C2 ZINC000643509422 384680495 /nfs/dbraw/zinc/68/04/95/384680495.db2.gz UEAGDXXQOASJNY-PBHICJAKSA-N 2 0 258.409 2.523 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C2 ZINC000643509424 384681048 /nfs/dbraw/zinc/68/10/48/384681048.db2.gz UEAGDXXQOASJNY-WMLDXEAASA-N 2 0 258.409 2.523 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000268867813 384681600 /nfs/dbraw/zinc/68/16/00/384681600.db2.gz JKOISHNXHXVFMT-CBZIJGRNSA-N 2 0 287.451 2.584 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H]1CCc2c1cc(F)cc2F ZINC000643511223 384681774 /nfs/dbraw/zinc/68/17/74/384681774.db2.gz TVZDECOCMOHDEJ-ABAIWWIYSA-N 2 0 268.351 2.915 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000643511246 384682877 /nfs/dbraw/zinc/68/28/77/384682877.db2.gz CCEJMNXXQOZUSR-PWSUYJOCSA-N 2 0 277.368 2.557 20 0 CFADRP [NH3+]C[C@@H](N[C@H]1CCCc2cccnc21)C1CCCCC1 ZINC000643511394 384682909 /nfs/dbraw/zinc/68/29/09/384682909.db2.gz AXQOEWWNJBJIBO-JKSUJKDBSA-N 2 0 273.424 2.956 20 0 CFADRP C([NH2+]C1CCC(C2CCCCC2)CC1)C1C[NH2+]C1 ZINC000643516130 384684510 /nfs/dbraw/zinc/68/45/10/384684510.db2.gz NDTIDSRBZJAVHT-UHFFFAOYSA-N 2 0 250.430 2.935 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521389 384686322 /nfs/dbraw/zinc/68/63/22/384686322.db2.gz DACOXRVLQLHUTG-KGLIPLIRSA-N 2 0 262.397 2.796 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522151 384688326 /nfs/dbraw/zinc/68/83/26/384688326.db2.gz IXPNIZGHZFWPQP-GDBMZVCRSA-N 2 0 274.408 2.940 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522529 384688510 /nfs/dbraw/zinc/68/85/10/384688510.db2.gz ONNGXEGWKDJMQV-RISCZKNCSA-N 2 0 278.371 2.553 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522530 384689938 /nfs/dbraw/zinc/68/99/38/384689938.db2.gz ONNGXEGWKDJMQV-SMDDNHRTSA-N 2 0 278.371 2.553 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643523111 384690975 /nfs/dbraw/zinc/69/09/75/384690975.db2.gz WVFNZXHEKHYQOM-CZUORRHYSA-N 2 0 259.397 2.665 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643522828 384691102 /nfs/dbraw/zinc/69/11/02/384691102.db2.gz SRWYXVUYHKNVAL-MOIQIXESSA-N 2 0 288.435 2.919 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523291 384691973 /nfs/dbraw/zinc/69/19/73/384691973.db2.gz ZOBCYGZEJQYOSY-BBRMVZONSA-N 2 0 274.408 2.804 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000643524332 384693963 /nfs/dbraw/zinc/69/39/63/384693963.db2.gz ICOSQEYMAQOTCF-IXDOHACOSA-N 2 0 258.409 2.794 20 0 CFADRP Cc1nc([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c(C)s1 ZINC000643525835 384694821 /nfs/dbraw/zinc/69/48/21/384694821.db2.gz UGPZUHPTDATVIR-PTRXPTGYSA-N 2 0 253.415 2.551 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000643526194 384695972 /nfs/dbraw/zinc/69/59/72/384695972.db2.gz UAINTEGZKCTDJB-MNOVXSKESA-N 2 0 272.339 2.546 20 0 CFADRP CCCc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268966978 384703869 /nfs/dbraw/zinc/70/38/69/384703869.db2.gz HDRHVNHMMYLPNA-HNNXBMFYSA-N 2 0 290.451 2.746 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533857 384705605 /nfs/dbraw/zinc/70/56/05/384705605.db2.gz GDSOTIUETXDIFM-IAGOWNOFSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2cccn2)cc1 ZINC000643533880 384705695 /nfs/dbraw/zinc/70/56/95/384705695.db2.gz HGUQWHGRRYSSIO-WMLDXEAASA-N 2 0 296.418 2.665 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643534403 384706026 /nfs/dbraw/zinc/70/60/26/384706026.db2.gz TYKFYKVEVCTCON-SJORKVTESA-N 2 0 286.419 2.804 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CC2)cc1 ZINC000643534991 384706953 /nfs/dbraw/zinc/70/69/53/384706953.db2.gz HDTWBDYZSLKCQI-DLBZAZTESA-N 2 0 270.420 2.739 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643535166 384709301 /nfs/dbraw/zinc/70/93/01/384709301.db2.gz JVTQDOAABCPHMT-CHWSQXEVSA-N 2 0 277.437 2.561 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccnn1-c1ccccc1 ZINC000643535287 384709955 /nfs/dbraw/zinc/70/99/55/384709955.db2.gz ARNBKVATXYWTPV-WMLDXEAASA-N 2 0 296.418 2.665 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1C(C)C ZINC000643536765 384712101 /nfs/dbraw/zinc/71/21/01/384712101.db2.gz WIUYWVXHFYKOHH-IUODEOHRSA-N 2 0 276.428 2.565 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000643536986 384713845 /nfs/dbraw/zinc/71/38/45/384713845.db2.gz ZTZANWMEHNSPKJ-MFKMUULPSA-N 2 0 295.814 2.536 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000643541940 384721442 /nfs/dbraw/zinc/72/14/42/384721442.db2.gz VHLZUACSGQOKDB-ZWNOBZJWSA-N 2 0 267.442 2.943 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC1(F)F ZINC000638602964 384775830 /nfs/dbraw/zinc/77/58/30/384775830.db2.gz GEFDCGNJLZZPRN-SRVKXCTJSA-N 2 0 262.388 2.986 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]CCC1CCOCC1)C(C)(C)C ZINC000638606192 384778486 /nfs/dbraw/zinc/77/84/86/384778486.db2.gz WQSMWNBWHARHRY-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)s1 ZINC000643549157 384729064 /nfs/dbraw/zinc/72/90/64/384729064.db2.gz KTRVBHKNBIAOER-OLRMPSLUSA-N 2 0 279.453 2.799 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](C)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000638548467 384736859 /nfs/dbraw/zinc/73/68/59/384736859.db2.gz BXYVGCMVLNJYMU-DLBZAZTESA-N 2 0 295.515 2.676 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](OC)[C@@H](C)CC)CC1 ZINC000638562771 384742761 /nfs/dbraw/zinc/74/27/61/384742761.db2.gz BTMFNKYWOZUJFQ-GOEBONIOSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2nc3ccccc3nc2C)CC1 ZINC000638565120 384744399 /nfs/dbraw/zinc/74/43/99/384744399.db2.gz LNMUPCHKGYNZPW-UHFFFAOYSA-N 2 0 298.434 2.760 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000638566545 384745384 /nfs/dbraw/zinc/74/53/84/384745384.db2.gz LPEOMNRAARDACF-XQQFMLRXSA-N 2 0 260.372 2.740 20 0 CFADRP CCC[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566552 384746055 /nfs/dbraw/zinc/74/60/55/384746055.db2.gz LROCTROKUICKTA-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566525 384746750 /nfs/dbraw/zinc/74/67/50/384746750.db2.gz LCPKUMUXKXUOQL-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566526 384746862 /nfs/dbraw/zinc/74/68/62/384746862.db2.gz LCPKUMUXKXUOQL-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)C1(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000638668688 384823863 /nfs/dbraw/zinc/82/38/63/384823863.db2.gz KOVWMICJLMQJOI-HNNXBMFYSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)CC(C)(C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638733760 384876353 /nfs/dbraw/zinc/87/63/53/384876353.db2.gz XJCQXGZCRRTFIM-UHFFFAOYSA-N 2 0 284.488 2.884 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000638692005 384838345 /nfs/dbraw/zinc/83/83/45/384838345.db2.gz AKIKMOKFBHTOEK-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP Fc1ccccc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000280139560 384902084 /nfs/dbraw/zinc/90/20/84/384902084.db2.gz CWKIYHOEODZWCM-HZPDHXFCSA-N 2 0 276.399 2.975 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638775425 384909384 /nfs/dbraw/zinc/90/93/84/384909384.db2.gz FWXNJCWBLZSCOP-UHFFFAOYSA-N 2 0 277.412 2.762 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638778778 384913507 /nfs/dbraw/zinc/91/35/07/384913507.db2.gz FRUNSQHZJQAYJR-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000644522354 384917023 /nfs/dbraw/zinc/91/70/23/384917023.db2.gz PBFHXCGIIGWDGV-CRAIPNDOSA-N 2 0 290.451 2.779 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000638788594 384921615 /nfs/dbraw/zinc/92/16/15/384921615.db2.gz LZHBQPWZDAJKHX-BFHYXJOUSA-N 2 0 274.399 2.988 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000644532415 384922046 /nfs/dbraw/zinc/92/20/46/384922046.db2.gz GZPMWJTWSBSBNN-OAHLLOKOSA-N 2 0 276.424 2.533 20 0 CFADRP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc[nH+]1 ZINC000280218600 384931045 /nfs/dbraw/zinc/93/10/45/384931045.db2.gz GZUHXPJCJUMIMX-HDICACEKSA-N 2 0 293.414 2.958 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000644557005 384933432 /nfs/dbraw/zinc/93/34/32/384933432.db2.gz UEVDZNLKHWAXME-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC(C)(C)C ZINC000644572703 384940077 /nfs/dbraw/zinc/94/00/77/384940077.db2.gz UATQUZMOXSVQNS-KRWDZBQOSA-N 2 0 292.467 2.895 20 0 CFADRP Cc1ccncc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000280298698 384964737 /nfs/dbraw/zinc/96/47/37/384964737.db2.gz NYUIQSKXYBJOOM-UHFFFAOYSA-N 2 0 296.418 2.791 20 0 CFADRP CCCN(C)[C@H](C[NH2+]C[C@@H](C)O)c1ccc(Cl)cc1 ZINC000644644859 384974300 /nfs/dbraw/zinc/97/43/00/384974300.db2.gz NIFQFCLEBOUSSA-IUODEOHRSA-N 2 0 284.831 2.693 20 0 CFADRP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000638848001 384982880 /nfs/dbraw/zinc/98/28/80/384982880.db2.gz FHFBAVJUYDQKJW-MSOLQXFVSA-N 2 0 293.499 2.739 20 0 CFADRP c1cc(C[NH2+]CCC[C@@H]2CCO2)cc(C[NH+]2CCCC2)c1 ZINC000638851172 384985115 /nfs/dbraw/zinc/98/51/15/384985115.db2.gz XVAWVGOLGYYQJI-GOSISDBHSA-N 2 0 288.435 2.941 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000638863172 384995514 /nfs/dbraw/zinc/99/55/14/384995514.db2.gz LLWXBNOMKLNUAK-QQFBHYJXSA-N 2 0 278.444 2.687 20 0 CFADRP COc1cc(C)nc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000270308444 385049930 /nfs/dbraw/zinc/04/99/30/385049930.db2.gz PLDOPPMFUZKOJI-UHFFFAOYSA-N 2 0 291.439 2.562 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414171167 285148867 /nfs/dbraw/zinc/14/88/67/285148867.db2.gz CSJCZFGODLBEOW-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP COc1cccc(C)c1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000638919085 385030571 /nfs/dbraw/zinc/03/05/71/385030571.db2.gz XUVYATGTLSDUOS-GOEBONIOSA-N 2 0 274.408 2.530 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423268877 533102364 /nfs/dbraw/zinc/10/23/64/533102364.db2.gz FEQSEACAAMZBOJ-SRVKXCTJSA-N 2 0 268.426 2.925 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000270452412 385109367 /nfs/dbraw/zinc/10/93/67/385109367.db2.gz LDACPMIQTDCKCK-QGZVFWFLSA-N 2 0 258.409 2.850 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CS[C@H](C)C1)[NH+]1CCCCC1 ZINC000639038184 385110180 /nfs/dbraw/zinc/11/01/80/385110180.db2.gz QYMSPTOMWRRLDZ-MJBXVCDLSA-N 2 0 256.459 2.735 20 0 CFADRP CO[C@](C)(C[NH2+]CC[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000639039056 385112141 /nfs/dbraw/zinc/11/21/41/385112141.db2.gz ZJZILFOZGWXXII-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000270487636 385120263 /nfs/dbraw/zinc/12/02/63/385120263.db2.gz OUECYFJTWVQXNM-GDBMZVCRSA-N 2 0 262.372 2.742 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000639045924 385122083 /nfs/dbraw/zinc/12/20/83/385122083.db2.gz GIMQHYLRWDWEAN-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000644843052 385098937 /nfs/dbraw/zinc/09/89/37/385098937.db2.gz KIQODPGNYSAVQO-MAUKXSAKSA-N 2 0 286.419 2.580 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000270425834 385100266 /nfs/dbraw/zinc/10/02/66/385100266.db2.gz GUSNYJUWQFAIGP-DOTOQJQBSA-N 2 0 290.451 2.950 20 0 CFADRP Cc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1O ZINC000639095319 385182416 /nfs/dbraw/zinc/18/24/16/385182416.db2.gz ZLWSVWOKSDFLKA-ZBFHGGJFSA-N 2 0 276.424 2.624 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000639102362 385194379 /nfs/dbraw/zinc/19/43/79/385194379.db2.gz KONGHXKRLDZFDA-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000289156641 197248989 /nfs/dbraw/zinc/24/89/89/197248989.db2.gz DICBKMKVYULTSW-HNNXBMFYSA-N 2 0 275.440 2.644 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2CCSCC2)CC1 ZINC000639106146 385197733 /nfs/dbraw/zinc/19/77/33/385197733.db2.gz WBBUKDSEIGOWHT-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@H](O)CC[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639107205 385199913 /nfs/dbraw/zinc/19/99/13/385199913.db2.gz YXHFQVVDOOMAQZ-QILLFSRXSA-N 2 0 288.435 2.715 20 0 CFADRP c1ccc2oc(C[NH2+]CC3CC[NH+](C4CC4)CC3)nc2c1 ZINC000639107663 385200092 /nfs/dbraw/zinc/20/00/92/385200092.db2.gz BMLXSAMXURTGKW-UHFFFAOYSA-N 2 0 285.391 2.792 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000270592737 385158582 /nfs/dbraw/zinc/15/85/82/385158582.db2.gz CUNTUJSNKCRFFZ-MVJTYMMSSA-N 2 0 290.451 2.819 20 0 CFADRP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)sn1 ZINC000639082126 385161136 /nfs/dbraw/zinc/16/11/36/385161136.db2.gz OVXBADBSBKHVSW-UHFFFAOYSA-N 2 0 265.426 2.512 20 0 CFADRP CC[C@H](C)[C@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639082040 385161808 /nfs/dbraw/zinc/16/18/08/385161808.db2.gz NUVGBIXWUOUHCZ-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282119299 385218666 /nfs/dbraw/zinc/21/86/66/385218666.db2.gz AQAJPMFIOXRZLH-INIZCTEOSA-N 2 0 289.467 2.672 20 0 CFADRP Cc1scc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000639204256 385324264 /nfs/dbraw/zinc/32/42/64/385324264.db2.gz PZXZGBUSEBVIMD-OAHLLOKOSA-N 2 0 264.438 2.893 20 0 CFADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH]cn1 ZINC000282459766 385317363 /nfs/dbraw/zinc/31/73/63/385317363.db2.gz JRISXTWDKXSCIX-KRWDZBQOSA-N 2 0 298.434 2.800 20 0 CFADRP C(CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CC[NH+]1CCCC1 ZINC000639211288 385334621 /nfs/dbraw/zinc/33/46/21/385334621.db2.gz SXLNKIDBXRRESJ-MUJYYYPQSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C(C)(C)CCC[NH+](C)C)c(C)n1 ZINC000639230538 385358769 /nfs/dbraw/zinc/35/87/69/385358769.db2.gz CBAMAIOMWKOYSH-CYBMUJFWSA-N 2 0 278.444 2.864 20 0 CFADRP CO[C@H](C[NH2+]C(C)(C)CCC[NH+](C)C)C1CCCC1 ZINC000639230693 385359028 /nfs/dbraw/zinc/35/90/28/385359028.db2.gz DQDFDNUXPBQLGQ-OAHLLOKOSA-N 2 0 270.461 2.902 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])ccc1SC ZINC000423223242 533116267 /nfs/dbraw/zinc/11/62/67/533116267.db2.gz FOTRORKTMQKXJO-WDEREUQCSA-N 2 0 268.426 2.805 20 0 CFADRP COc1cccc(C)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000639257533 385386783 /nfs/dbraw/zinc/38/67/83/385386783.db2.gz OSDBTRDETFAHOS-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000639257162 385386895 /nfs/dbraw/zinc/38/68/95/385386895.db2.gz JRDWMPXSORMNOD-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cccc3[nH]ccc32)CC1 ZINC000282835917 385398257 /nfs/dbraw/zinc/39/82/57/385398257.db2.gz SMCRCKIZLVHUBY-UHFFFAOYSA-N 2 0 271.408 2.784 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271912444 385399492 /nfs/dbraw/zinc/39/94/92/385399492.db2.gz YFGLOQXIKJCIGD-CQSZACIVSA-N 2 0 276.399 2.998 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271919230 385400612 /nfs/dbraw/zinc/40/06/12/385400612.db2.gz ZPPOJURAQCFOAK-ZDUSSCGKSA-N 2 0 260.381 2.608 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CC1(F)F ZINC000639285670 385412903 /nfs/dbraw/zinc/41/29/03/385412903.db2.gz IUOZLMIUOOFOPR-DRPJVOAASA-N 2 0 294.389 2.965 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])ccc1SC ZINC000423299421 533117143 /nfs/dbraw/zinc/11/71/43/533117143.db2.gz QDWAHQBGSIUQRL-WDEREUQCSA-N 2 0 268.426 2.663 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]CC1CCSCC1 ZINC000639302513 385429362 /nfs/dbraw/zinc/42/93/62/385429362.db2.gz HGYWDNDOOPEAII-ZDUSSCGKSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236910 385483082 /nfs/dbraw/zinc/48/30/82/385483082.db2.gz VREBDZOGSRGLSR-SZMVWBNQSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CS1 ZINC000639335862 385461235 /nfs/dbraw/zinc/46/12/35/385461235.db2.gz YKCOROUDHLPKOD-DOMZBBRYSA-N 2 0 268.470 2.592 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000639338049 385463701 /nfs/dbraw/zinc/46/37/01/385463701.db2.gz RURCZLCCLJZETP-RDJZCZTQSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+]1CCC(N[C@H](CCOC)c2ccc(C)o2)CC1 ZINC000272262686 385491850 /nfs/dbraw/zinc/49/18/50/385491850.db2.gz AVTUIKPYDSGVRQ-OAHLLOKOSA-N 2 0 280.412 2.740 20 0 CFADRP CCC[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375102 385492267 /nfs/dbraw/zinc/49/22/67/385492267.db2.gz QFIIXZOYFWTHII-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000639376031 385493406 /nfs/dbraw/zinc/49/34/06/385493406.db2.gz QAUBKHJHNRQGNI-GJZGRUSLSA-N 2 0 250.430 2.983 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272267513 385493720 /nfs/dbraw/zinc/49/37/20/385493720.db2.gz AQACATITIGAAGD-CGTJXYLNSA-N 2 0 290.451 2.912 20 0 CFADRP CCOC1CC(C[NH+]2CCC(CC)([NH+](C)C)CC2)C1 ZINC000639378866 385495388 /nfs/dbraw/zinc/49/53/88/385495388.db2.gz SXDMKLDRAPLZLJ-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639379408 385496238 /nfs/dbraw/zinc/49/62/38/385496238.db2.gz XUUSKXYCOPLXQK-GJZGRUSLSA-N 2 0 270.461 2.854 20 0 CFADRP CC[C@@]1(O)CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000639385751 385504845 /nfs/dbraw/zinc/50/48/45/385504845.db2.gz VIOUNUFMGJKGAI-OAHLLOKOSA-N 2 0 291.420 2.671 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1cn[nH]c1 ZINC000283690421 385489088 /nfs/dbraw/zinc/48/90/88/385489088.db2.gz ACYDNTHUZLFLDX-WMLDXEAASA-N 2 0 284.407 2.725 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272403369 385529690 /nfs/dbraw/zinc/52/96/90/385529690.db2.gz ZOUYMPVZTDUZEZ-LISAXSMJSA-N 2 0 290.451 2.910 20 0 CFADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000639473577 385550865 /nfs/dbraw/zinc/55/08/65/385550865.db2.gz FAVCXZCMHRRTIX-KSZLIROESA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000639489390 385557621 /nfs/dbraw/zinc/55/76/21/385557621.db2.gz PBUGWYQCVZKEKF-XLAORIBOSA-N 2 0 294.483 2.998 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000639495981 385560156 /nfs/dbraw/zinc/56/01/56/385560156.db2.gz LGGMXMWLCOGIGR-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000639497439 385561733 /nfs/dbraw/zinc/56/17/33/385561733.db2.gz KYBCRTXDQBQIFO-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000286158920 385565392 /nfs/dbraw/zinc/56/53/92/385565392.db2.gz PGDFRJMPURGENL-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@H](O)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286375823 385601111 /nfs/dbraw/zinc/60/11/11/385601111.db2.gz ZUEGHSIXXYDPFE-ZLPCBKJTSA-N 2 0 290.451 2.790 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000286258837 385578710 /nfs/dbraw/zinc/57/87/10/385578710.db2.gz UTQMYGVAEGCHJO-NSHDSACASA-N 2 0 284.425 2.527 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639554645 385582147 /nfs/dbraw/zinc/58/21/47/385582147.db2.gz LQISSBFADROKBR-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579927 385593136 /nfs/dbraw/zinc/59/31/36/385593136.db2.gz MHZQFWUGSKQXCM-YHUYYLMFSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000122256141 413005755 /nfs/dbraw/zinc/00/57/55/413005755.db2.gz GREGLCURIZIRKK-RISCZKNCSA-N 2 0 254.324 2.524 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812577 385621908 /nfs/dbraw/zinc/62/19/08/385621908.db2.gz NRKIWXKSACGPRA-BPQIPLTHSA-N 2 0 290.451 2.504 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000122322058 413006395 /nfs/dbraw/zinc/00/63/95/413006395.db2.gz WTAXQZJRTXXDRR-WFASDCNBSA-N 2 0 258.365 2.992 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682701 385659299 /nfs/dbraw/zinc/65/92/99/385659299.db2.gz KAAIAAQRVCFZJX-UHFFFAOYSA-N 2 0 291.439 2.656 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000639758774 385698183 /nfs/dbraw/zinc/69/81/83/385698183.db2.gz WEMWDKWLPFLACG-ZDUSSCGKSA-N 2 0 272.383 2.840 20 0 CFADRP CC[C@@](C)(NC[C@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC000639928778 385778629 /nfs/dbraw/zinc/77/86/29/385778629.db2.gz OHVCQWDGMRPCCM-DLBZAZTESA-N 2 0 296.430 2.742 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000639983099 385804297 /nfs/dbraw/zinc/80/42/97/385804297.db2.gz AKWBCSXXDCOMBZ-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000414700769 533146190 /nfs/dbraw/zinc/14/61/90/533146190.db2.gz VMGMDSOSJIGAKK-BFYDXBDKSA-N 2 0 288.435 2.873 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274790266 385871076 /nfs/dbraw/zinc/87/10/76/385871076.db2.gz BWXBQZLKAPNKBN-ZMSDIMECSA-N 2 0 276.424 2.522 20 0 CFADRP COc1ccc([C@H](C)C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414843505 533157442 /nfs/dbraw/zinc/15/74/42/533157442.db2.gz PZUIHMYFTCTAFN-HUUCEWRRSA-N 2 0 276.424 2.778 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@H](O)c3ccccc3)n2c1 ZINC000288407140 197069981 /nfs/dbraw/zinc/06/99/81/197069981.db2.gz AIWJDJJTZKEAPP-KSSFIOAISA-N 2 0 295.386 2.854 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116961 533162641 /nfs/dbraw/zinc/16/26/41/533162641.db2.gz SGEXKUMBBKBWPP-GYVWXKFASA-N 2 0 290.382 2.694 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423257623 533168165 /nfs/dbraw/zinc/16/81/65/533168165.db2.gz KJJLSMSTNGDJSX-UONOGXRCSA-N 2 0 262.397 2.736 20 0 CFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423313606 533188800 /nfs/dbraw/zinc/18/88/00/533188800.db2.gz WZUCTKATLNQFDH-KSSFIOAISA-N 2 0 299.418 2.558 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@H+](C)C1CCCC1 ZINC000093516479 184686869 /nfs/dbraw/zinc/68/68/69/184686869.db2.gz NFDMWWBZVBCKSE-HOTGVXAUSA-N 2 0 281.488 2.761 20 0 CFADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1F ZINC000423303467 533201324 /nfs/dbraw/zinc/20/13/24/533201324.db2.gz LPNAAWSEWSCWAW-ZBFHGGJFSA-N 2 0 292.398 2.670 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2F)CC[N@@H+]1C ZINC000281253318 195169565 /nfs/dbraw/zinc/16/95/65/195169565.db2.gz WCELEXIARQEKND-HIFRSBDPSA-N 2 0 264.388 2.831 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CCCCC1 ZINC000130841217 413031224 /nfs/dbraw/zinc/03/12/24/413031224.db2.gz LIXPFMGDUQWODD-CVEARBPZSA-N 2 0 282.472 2.830 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000681662209 542475663 /nfs/dbraw/zinc/47/56/63/542475663.db2.gz DWLZLTZMWKCFKX-QGZVFWFLSA-N 2 0 258.409 2.948 20 0 CFADRP Cc1ncc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1 ZINC000681681121 542478447 /nfs/dbraw/zinc/47/84/47/542478447.db2.gz MLZCOKZFJRMRRP-CQSZACIVSA-N 2 0 290.455 2.818 20 0 CFADRP COC[C@@]1(C[NH2+][C@H]2CCCCC23CCCC3)CCC[NH2+]1 ZINC000423408320 285325722 /nfs/dbraw/zinc/32/57/22/285325722.db2.gz ABXUANFIOBKLCQ-RDJZCZTQSA-N 2 0 280.456 2.848 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000020200377 542570758 /nfs/dbraw/zinc/57/07/58/542570758.db2.gz QBGLTQIKMWQBLO-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP CCOCc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000094086571 184754439 /nfs/dbraw/zinc/75/44/39/184754439.db2.gz MKRJFKKWZFDDLC-UHFFFAOYSA-N 2 0 262.397 2.583 20 0 CFADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000361968031 285372500 /nfs/dbraw/zinc/37/25/00/285372500.db2.gz YIZCUCXWGFNYAZ-QLFBSQMISA-N 2 0 256.434 2.510 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423434971 285388592 /nfs/dbraw/zinc/38/85/92/285388592.db2.gz KXRSJXYXPRJZJU-OKZBNKHCSA-N 2 0 286.419 2.747 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361081801 285393464 /nfs/dbraw/zinc/39/34/64/285393464.db2.gz SNHTUYIWTPMAFJ-CPUCHLNUSA-N 2 0 286.419 2.986 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000157887565 285399246 /nfs/dbraw/zinc/39/92/46/285399246.db2.gz NBAMCDMUXYHRNE-HOTGVXAUSA-N 2 0 270.461 2.902 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCCC[NH3+])CC2 ZINC000423445970 533299835 /nfs/dbraw/zinc/29/98/35/533299835.db2.gz YMCLLSDYMFNSDZ-BLLLJJGKSA-N 2 0 262.397 2.790 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423204412 533312868 /nfs/dbraw/zinc/31/28/68/533312868.db2.gz AOWLRYRWKUFPTB-XUJVJEKNSA-N 2 0 292.398 2.799 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423284969 533314264 /nfs/dbraw/zinc/31/42/64/533314264.db2.gz ZCCYPYLBXMEEIZ-IUODEOHRSA-N 2 0 292.398 2.801 20 0 CFADRP C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)C1C[NH2+]C1 ZINC000423049672 533358513 /nfs/dbraw/zinc/35/85/13/533358513.db2.gz KFCJECXYILRQES-OAHLLOKOSA-N 2 0 288.435 2.571 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000422857911 533365188 /nfs/dbraw/zinc/36/51/88/533365188.db2.gz HOGPOFVZQLWLNF-ZDUSSCGKSA-N 2 0 294.439 2.698 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423546109 533375130 /nfs/dbraw/zinc/37/51/30/533375130.db2.gz YQUYONSVLBOGFE-CYBMUJFWSA-N 2 0 291.414 2.852 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000423175123 533379356 /nfs/dbraw/zinc/37/93/56/533379356.db2.gz DBYXRLGVBPLEAL-SNVBAGLBSA-N 2 0 276.302 2.627 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)C1CCOCC1 ZINC000423293491 533448982 /nfs/dbraw/zinc/44/89/82/533448982.db2.gz RNNSDEYYPNUUKZ-QWHCGFSZSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@@H]([NH2+]CCCc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000423099354 533391126 /nfs/dbraw/zinc/39/11/26/533391126.db2.gz TWTCWWHUNQFAAY-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Br)ccc1F ZINC000423302847 533408659 /nfs/dbraw/zinc/40/86/59/533408659.db2.gz WCQLPZAIXMMHIW-DTWKUNHWSA-N 2 0 289.192 2.834 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422791846 533417236 /nfs/dbraw/zinc/41/72/36/533417236.db2.gz VIJNRKROQIOSPX-AVGNSLFASA-N 2 0 250.386 2.780 20 0 CFADRP C[C@@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422727907 533418208 /nfs/dbraw/zinc/41/82/08/533418208.db2.gz DSEWVWKQQMAKSP-ILXRZTDVSA-N 2 0 293.480 2.615 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H](C)CCC[NH3+])CCC2)cc1 ZINC000423036767 533426083 /nfs/dbraw/zinc/42/60/83/533426083.db2.gz USOJVHJWWKNURM-AWEZNQCLSA-N 2 0 276.424 2.834 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422738335 533498812 /nfs/dbraw/zinc/49/88/12/533498812.db2.gz YKKDZTYDQUJPHD-KXBFYZLASA-N 2 0 298.430 2.786 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000422801673 533502221 /nfs/dbraw/zinc/50/22/21/533502221.db2.gz CJSVPBZYYWVNJP-UXLLHSPISA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1C[NH2+]C1 ZINC000422722931 533514993 /nfs/dbraw/zinc/51/49/93/533514993.db2.gz ZCXHKTJRBBIHCD-BDJLRTHQSA-N 2 0 262.372 2.864 20 0 CFADRP CSCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178913268 533582245 /nfs/dbraw/zinc/58/22/45/533582245.db2.gz HMEQFKTUEWJTSG-UHFFFAOYSA-N 2 0 270.486 2.937 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1c(F)cccc1F ZINC000422689656 533538223 /nfs/dbraw/zinc/53/82/23/533538223.db2.gz FQKSFLJMOXPROM-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1F ZINC000423035227 533538235 /nfs/dbraw/zinc/53/82/35/533538235.db2.gz RFQDFJRRYGDFOY-JTQLQIEISA-N 2 0 274.330 2.754 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422817957 533538535 /nfs/dbraw/zinc/53/85/35/533538535.db2.gz IWYCZHAHFOYVOO-HNNXBMFYSA-N 2 0 286.423 2.522 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423119383 533553884 /nfs/dbraw/zinc/55/38/84/533553884.db2.gz CFJGZNVFYFUIIY-NUEKZKHPSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422916944 533553992 /nfs/dbraw/zinc/55/39/92/533553992.db2.gz CBOODECGMKTFQA-VIFPVBQESA-N 2 0 276.302 2.644 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)cc2cccnc21 ZINC000415025760 533554001 /nfs/dbraw/zinc/55/40/01/533554001.db2.gz RNMQGYANTGWPLK-NSHDSACASA-N 2 0 261.344 2.591 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000415025328 533554670 /nfs/dbraw/zinc/55/46/70/533554670.db2.gz QNMBIFVIBYBKBE-HNNXBMFYSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423166413 533567990 /nfs/dbraw/zinc/56/79/90/533567990.db2.gz CNQVLRHYMLRVKB-DZKIICNBSA-N 2 0 261.413 2.523 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000425932017 533608891 /nfs/dbraw/zinc/60/88/91/533608891.db2.gz OFNZIQHGIYZVJT-TZMCWYRMSA-N 2 0 294.439 2.861 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000422852801 533614117 /nfs/dbraw/zinc/61/41/17/533614117.db2.gz BIJWNVXOBGKWCP-STQMWFEESA-N 2 0 280.412 2.790 20 0 CFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCCCCC2)[C@@H]1C ZINC000423198050 533635087 /nfs/dbraw/zinc/63/50/87/533635087.db2.gz CQPQMUNXZHJDGW-QLFBSQMISA-N 2 0 296.455 2.606 20 0 CFADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])c2ccccc12 ZINC000414880907 533669489 /nfs/dbraw/zinc/66/94/89/533669489.db2.gz RHXZSHORPWNOCB-GFCCVEGCSA-N 2 0 258.365 2.533 20 0 CFADRP CCOC1CC(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000682734296 542584441 /nfs/dbraw/zinc/58/44/41/542584441.db2.gz PCVSNGQHUVDMKX-VQCLRJIVSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCCCC1 ZINC000353673520 130161553 /nfs/dbraw/zinc/16/15/53/130161553.db2.gz QGBJBNAWOLNZEH-XMTFNYHQSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+]C1(C[NH2+]CCc2ccc3ccccc3c2)CCC1 ZINC000342101452 130261631 /nfs/dbraw/zinc/26/16/31/130261631.db2.gz KVHBDNGMFGUESP-UHFFFAOYSA-N 2 0 254.377 2.853 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC1(C)C ZINC000342192160 130325372 /nfs/dbraw/zinc/32/53/72/130325372.db2.gz AGUZECVFTTZKSE-HNNXBMFYSA-N 2 0 270.380 2.854 20 0 CFADRP [NH3+]C1(C[NH2+]CCCc2ccc(Cl)cc2)CCC1 ZINC000342167691 130358014 /nfs/dbraw/zinc/35/80/14/130358014.db2.gz OVTXPRQOOIFAJW-UHFFFAOYSA-N 2 0 252.789 2.744 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1(F)CCC1 ZINC000342198339 130377090 /nfs/dbraw/zinc/37/70/90/130377090.db2.gz CTJWJTKQPWDQFY-UHFFFAOYSA-N 2 0 288.370 2.948 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CC2(C)COC2)CC1 ZINC000359883466 130557628 /nfs/dbraw/zinc/55/76/28/130557628.db2.gz LYGQVYNAXUCSTI-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2C)[C@@H](C)C1 ZINC000245610833 131087747 /nfs/dbraw/zinc/08/77/47/131087747.db2.gz OAAIYIVVVYYKNA-DZGCQCFKSA-N 2 0 290.411 2.584 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249119938 131120017 /nfs/dbraw/zinc/12/00/17/131120017.db2.gz PKHIKUNSGAWYKH-ZIAGYGMSSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC000249330942 131120940 /nfs/dbraw/zinc/12/09/40/131120940.db2.gz WFTRNIMWEPNYCE-XYVMCAHJSA-N 2 0 289.467 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000249377441 131121264 /nfs/dbraw/zinc/12/12/64/131121264.db2.gz MANVNZRKAOYAQM-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000683357927 542671532 /nfs/dbraw/zinc/67/15/32/542671532.db2.gz YQBTZIZWGOLLJZ-JKSUJKDBSA-N 2 0 288.435 2.969 20 0 CFADRP CC[C@@H](COC)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000265698986 131625206 /nfs/dbraw/zinc/62/52/06/131625206.db2.gz QCFWECWAQWXJBC-INIZCTEOSA-N 2 0 294.439 2.532 20 0 CFADRP C[C@@H]1C[C@@H](NCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268707719 132053734 /nfs/dbraw/zinc/05/37/34/132053734.db2.gz IYHOUUHXQOSAMS-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000268734838 132057519 /nfs/dbraw/zinc/05/75/19/132057519.db2.gz NQCDAIIWDQGHJA-GJZGRUSLSA-N 2 0 276.424 2.795 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3OC)C1 ZINC000268775945 132063997 /nfs/dbraw/zinc/06/39/97/132063997.db2.gz NPZRIDFGVHEMBB-CJNGLKHVSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1C ZINC000268774183 132064656 /nfs/dbraw/zinc/06/46/56/132064656.db2.gz QYTGIVWETDPQMH-MAUKXSAKSA-N 2 0 298.434 2.504 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000268826954 132072887 /nfs/dbraw/zinc/07/28/87/132072887.db2.gz URMZFVLUALHOBH-HZPDHXFCSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)COC2 ZINC000268864947 132079148 /nfs/dbraw/zinc/07/91/48/132079148.db2.gz ZPUMRUXSIXNJCJ-UONOGXRCSA-N 2 0 286.419 2.852 20 0 CFADRP CCC[NH+]1CCC(NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000164855122 542728628 /nfs/dbraw/zinc/72/86/28/542728628.db2.gz ITWSXLMBFVIUKK-QGZVFWFLSA-N 2 0 281.488 2.715 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)nc21 ZINC000268920806 132089151 /nfs/dbraw/zinc/08/91/51/132089151.db2.gz KDFRDKNWXHYMLO-KGLIPLIRSA-N 2 0 287.407 2.751 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683830353 542731256 /nfs/dbraw/zinc/73/12/56/542731256.db2.gz MZYPFSUWXOUYDC-HNNXBMFYSA-N 2 0 269.392 2.618 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132150633 285523245 /nfs/dbraw/zinc/52/32/45/285523245.db2.gz PPIHKEAHGNXRDC-OCCSQVGLSA-N 2 0 262.422 2.813 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000299997429 393465081 /nfs/dbraw/zinc/46/50/81/393465081.db2.gz NRGRCWQBLWDVMN-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180104561 393477269 /nfs/dbraw/zinc/47/72/69/393477269.db2.gz OZUUFELMNCANGA-QAPCUYQASA-N 2 0 290.451 2.786 20 0 CFADRP CC1(C)CC([NH2+][C@@H]2CCC23CCOCC3)CC(C)(C)[NH2+]1 ZINC000374291319 393490851 /nfs/dbraw/zinc/49/08/51/393490851.db2.gz JURNGOBWOLITFE-CQSZACIVSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000305143928 393500606 /nfs/dbraw/zinc/50/06/06/393500606.db2.gz REITWMIWCFNMDQ-VVLHAWIVSA-N 2 0 282.472 2.638 20 0 CFADRP CCSCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000306039150 393505562 /nfs/dbraw/zinc/50/55/62/393505562.db2.gz ROBZXRQSHUNJQM-MGPQQGTHSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309850587 393517486 /nfs/dbraw/zinc/51/74/86/393517486.db2.gz ZZISUTYYMLAPLH-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP CCCN(CC)CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000311805447 393521124 /nfs/dbraw/zinc/52/11/24/393521124.db2.gz CLTQFKISIXAZNQ-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCC34CCOCC4)CC[N@@H+]2C1 ZINC000376586251 393522996 /nfs/dbraw/zinc/52/29/96/393522996.db2.gz KJOPWFGLKFDXPV-BZUAXINKSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000376595658 393523014 /nfs/dbraw/zinc/52/30/14/393523014.db2.gz POJFNASRHNLELF-BRWVUGGUSA-N 2 0 280.456 2.752 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313713234 393523182 /nfs/dbraw/zinc/52/31/82/393523182.db2.gz JLUQVOZIMPDAFD-TZMCWYRMSA-N 2 0 297.240 2.709 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000376756068 393524446 /nfs/dbraw/zinc/52/44/46/393524446.db2.gz PIPUGSRZTWGNFG-BHYGNILZSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000184660032 393530072 /nfs/dbraw/zinc/53/00/72/393530072.db2.gz YLDCXECLDWEKBH-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000379196704 393551268 /nfs/dbraw/zinc/55/12/68/393551268.db2.gz JVUAPGIHOCVPHP-CVEARBPZSA-N 2 0 262.397 2.577 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](C)C[NH+](C)C ZINC000380424494 393556550 /nfs/dbraw/zinc/55/65/50/393556550.db2.gz IQUXVGWOVRJSIN-CXAGYDPISA-N 2 0 276.424 2.860 20 0 CFADRP COCC[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000045017656 393568622 /nfs/dbraw/zinc/56/86/22/393568622.db2.gz TYVYLJRMZINEJV-OAHLLOKOSA-N 2 0 264.413 2.523 20 0 CFADRP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2[nH+]1 ZINC000382421723 393570662 /nfs/dbraw/zinc/57/06/62/393570662.db2.gz KRJSSEPPNZGEHS-CHWSQXEVSA-N 2 0 255.365 2.647 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000191822675 393608111 /nfs/dbraw/zinc/60/81/11/393608111.db2.gz LJVGEBZNAVSNKH-MRXNPFEDSA-N 2 0 270.461 2.639 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000401163067 393602642 /nfs/dbraw/zinc/60/26/42/393602642.db2.gz UEEKAGWNFGLBIX-GZBFAFLISA-N 2 0 264.438 2.843 20 0 CFADRP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825016 393608570 /nfs/dbraw/zinc/60/85/70/393608570.db2.gz CNZPEYURPPFIKG-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1 ZINC000401896568 393606975 /nfs/dbraw/zinc/60/69/75/393606975.db2.gz XRVCKEAIYVAPSV-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000385424314 393584519 /nfs/dbraw/zinc/58/45/19/393584519.db2.gz BXKQLKPGQHCHPX-ZBFHGGJFSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H](c1cccc2ccccc21)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000387711466 393591890 /nfs/dbraw/zinc/59/18/90/393591890.db2.gz OJKHEPYAPKALDB-MRXNPFEDSA-N 2 0 297.446 2.738 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000334584121 393609576 /nfs/dbraw/zinc/60/95/76/393609576.db2.gz SQNILSKJBZMTQH-STQMWFEESA-N 2 0 260.372 2.838 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000049686702 393613462 /nfs/dbraw/zinc/61/34/62/393613462.db2.gz ONKZNWNJPIKKSX-ZDUSSCGKSA-N 2 0 264.438 2.939 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc(F)c(F)c1 ZINC000404788151 393622065 /nfs/dbraw/zinc/62/20/65/393622065.db2.gz ZFUIQONKDVMXOG-AQUOVQTQSA-N 2 0 254.324 2.741 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc21 ZINC000335056167 393637433 /nfs/dbraw/zinc/63/74/33/393637433.db2.gz CJBFIECOCWJEBC-MRXNPFEDSA-N 2 0 256.393 2.918 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193950646 393667848 /nfs/dbraw/zinc/66/78/48/393667848.db2.gz NRMOPMWSYMBXPX-IXDOHACOSA-N 2 0 292.467 2.656 20 0 CFADRP Clc1cc2c(s1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000335424221 393668049 /nfs/dbraw/zinc/66/80/49/393668049.db2.gz NPVLISGFBBQUEU-UHFFFAOYSA-N 2 0 270.829 2.759 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000081578865 393736079 /nfs/dbraw/zinc/73/60/79/393736079.db2.gz YKYLOGMNKDFASB-KRWDZBQOSA-N 2 0 292.471 2.717 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000221976931 393762507 /nfs/dbraw/zinc/76/25/07/393762507.db2.gz SSHOXYNQNMYZGE-UNEWFSDZSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)C[NH+](C)C ZINC000336787454 393748726 /nfs/dbraw/zinc/74/87/26/393748726.db2.gz FAAQGZQEEGALTO-UNXYVOJBSA-N 2 0 266.351 2.895 20 0 CFADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000337177872 393754495 /nfs/dbraw/zinc/75/44/95/393754495.db2.gz JYAKKLDPABMBET-MRXNPFEDSA-N 2 0 295.515 2.913 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000086585813 393754850 /nfs/dbraw/zinc/75/48/50/393754850.db2.gz ATBNYBQTFNTVCP-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000337325556 393757251 /nfs/dbraw/zinc/75/72/51/393757251.db2.gz BXDZUHKHFKEXHM-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000335669974 393688083 /nfs/dbraw/zinc/68/80/83/393688083.db2.gz KBGFMXYKRGLXQY-RUJICJSRSA-N 2 0 262.319 2.544 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000411551789 393725915 /nfs/dbraw/zinc/72/59/15/393725915.db2.gz OCLRMMKVXXYJBW-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000336319884 393728698 /nfs/dbraw/zinc/72/86/98/393728698.db2.gz VBQVYLPBUIBIQP-KRWDZBQOSA-N 2 0 256.393 2.834 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(F)c2)[C@H](C)C1 ZINC000081096425 393731107 /nfs/dbraw/zinc/73/11/07/393731107.db2.gz JJZMIOYQTKRBSR-PBHICJAKSA-N 2 0 294.414 2.867 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000337417844 393765505 /nfs/dbraw/zinc/76/55/05/393765505.db2.gz DUGDJYHKOFNWHR-CQSZACIVSA-N 2 0 288.439 2.911 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000226343842 393770658 /nfs/dbraw/zinc/77/06/58/393770658.db2.gz HYJAAQHAAHCGOW-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP C[C@@H]1CN(CCC[NH2+][C@H]2CC[C@H]2C2CCC2)CCCO1 ZINC000338008870 393772624 /nfs/dbraw/zinc/77/26/24/393772624.db2.gz BKDSTOJTLSOVLE-PVAVHDDUSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090764299 393781213 /nfs/dbraw/zinc/78/12/13/393781213.db2.gz JPPGDAPXEAGVDD-ASHKBJFXSA-N 2 0 279.428 2.713 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000424235858 393803299 /nfs/dbraw/zinc/80/32/99/393803299.db2.gz INQUFMZPHSXZPP-UHFFFAOYSA-N 2 0 289.423 2.513 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)CC3 ZINC000414804878 393805386 /nfs/dbraw/zinc/80/53/86/393805386.db2.gz YAJBHJUIMLDLNM-BBRMVZONSA-N 2 0 285.435 2.907 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC3 ZINC000414842636 393806623 /nfs/dbraw/zinc/80/66/23/393806623.db2.gz IWUAYZTUPYZRED-KBPBESRZSA-N 2 0 283.419 2.675 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CCC[NH2+]C1 ZINC000414919288 393807814 /nfs/dbraw/zinc/80/78/14/393807814.db2.gz WMGULDJYNHLPDH-PMPSAXMXSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415035451 393810451 /nfs/dbraw/zinc/81/04/51/393810451.db2.gz KXOIKGRLDAWKKE-DZROGXKWSA-N 2 0 270.420 2.766 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424276142 393810626 /nfs/dbraw/zinc/81/06/26/393810626.db2.gz YEJBUBKMGXBBQW-NRKLIOEPSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C ZINC000415054480 393810931 /nfs/dbraw/zinc/81/09/31/393810931.db2.gz NNHKOUMOZJOLFA-VDOXHLPDSA-N 2 0 293.499 2.617 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424276141 393811228 /nfs/dbraw/zinc/81/12/28/393811228.db2.gz YEJBUBKMGXBBQW-FIDHJVLJSA-N 2 0 280.456 2.512 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C[C@H]2C1 ZINC000424285514 393814205 /nfs/dbraw/zinc/81/42/05/393814205.db2.gz UTMXPUNABQQGSB-OMPZMXGASA-N 2 0 292.467 2.654 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)C[C@H]2C1 ZINC000424308888 393821289 /nfs/dbraw/zinc/82/12/89/393821289.db2.gz HKCJOSNZRWPBDJ-SFFUCWETSA-N 2 0 294.483 2.900 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340208119 393838763 /nfs/dbraw/zinc/83/87/63/393838763.db2.gz ZGVHBSCGNXYLFQ-KZNAEPCWSA-N 2 0 287.451 2.506 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424321142 393826526 /nfs/dbraw/zinc/82/65/26/393826526.db2.gz IMDKOPPQSJNTHX-KBPBESRZSA-N 2 0 298.471 2.674 20 0 CFADRP C[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2C)COC1 ZINC000246631784 393879014 /nfs/dbraw/zinc/87/90/14/393879014.db2.gz HUGPJOQTLFLIOA-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)C1(CNc2cc[nH+]c3c(O)cccc23)CCC1 ZINC000684588335 542832156 /nfs/dbraw/zinc/83/21/56/542832156.db2.gz BVOWBLQMUQWJFY-UHFFFAOYSA-N 2 0 271.364 2.837 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cs1 ZINC000246848806 393887248 /nfs/dbraw/zinc/88/72/48/393887248.db2.gz BHLJLGKCJLVIIJ-MBNYWOFBSA-N 2 0 281.469 2.566 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cs1 ZINC000246848823 393887319 /nfs/dbraw/zinc/88/73/19/393887319.db2.gz BHLJLGKCJLVIIJ-YRGRVCCFSA-N 2 0 281.469 2.566 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459774546 393887616 /nfs/dbraw/zinc/88/76/16/393887616.db2.gz JCSDHSGHTFHSHE-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC([NH+]2CCCC2)CC1 ZINC000340289873 393840637 /nfs/dbraw/zinc/84/06/37/393840637.db2.gz ZTIXSMUVBMULMX-SFHVURJKSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424381296 393841895 /nfs/dbraw/zinc/84/18/95/393841895.db2.gz YIGMWMPCUHNSGJ-YUELXQCFSA-N 2 0 250.361 2.731 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424386345 393842977 /nfs/dbraw/zinc/84/29/77/393842977.db2.gz XJDOVNVWLXGPJS-XDKFSHSGSA-N 2 0 272.436 2.971 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000340514156 393844400 /nfs/dbraw/zinc/84/44/00/393844400.db2.gz HJIKGECPGYHRMT-OAGGEKHMSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000341306337 393852741 /nfs/dbraw/zinc/85/27/41/393852741.db2.gz RMQCMNCZUQTPAM-QBYUYEEZSA-N 2 0 282.472 2.779 20 0 CFADRP CN(CCC[NH+]1CCCC1)c1cc[nH+]c2c(O)cccc12 ZINC000684894399 542866622 /nfs/dbraw/zinc/86/66/22/542866622.db2.gz MJFWNFMMGUZPPH-UHFFFAOYSA-N 2 0 285.391 2.863 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000121182609 393950389 /nfs/dbraw/zinc/95/03/89/393950389.db2.gz NGJQKYOFJBSYKW-ROUUACIJSA-N 2 0 295.515 2.985 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000346436919 393929979 /nfs/dbraw/zinc/92/99/79/393929979.db2.gz FYWFOBOVJJHWAC-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1C1CCCCC1 ZINC000346843272 393933491 /nfs/dbraw/zinc/93/34/91/393933491.db2.gz XVVRLIPWGMRGJV-ZIAGYGMSSA-N 2 0 290.455 2.637 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]1C ZINC000252118361 393934457 /nfs/dbraw/zinc/93/44/57/393934457.db2.gz IYGSFOHXYOYFPV-KQTLUZQSSA-N 2 0 250.430 2.885 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CCCCO1 ZINC000347475295 393941694 /nfs/dbraw/zinc/94/16/94/393941694.db2.gz VWFKGKVISBAGBO-KBAYOESNSA-N 2 0 292.467 2.894 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261545597 393947826 /nfs/dbraw/zinc/94/78/26/393947826.db2.gz GBNLMTWOHUGKRA-UONOGXRCSA-N 2 0 250.411 2.862 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261582554 393948392 /nfs/dbraw/zinc/94/83/92/393948392.db2.gz GQTIFANTIMOQLU-IAGOWNOFSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCc3ccccc3C2)CC[NH2+]1 ZINC000261563313 393948426 /nfs/dbraw/zinc/94/84/26/393948426.db2.gz ANUGLXUUZIPIEO-HUUCEWRRSA-N 2 0 258.409 2.823 20 0 CFADRP C([NH2+]C[C@@H]1CCCOC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435749361 394019587 /nfs/dbraw/zinc/01/95/87/394019587.db2.gz SWHKMIGQLOTLFM-DOTOQJQBSA-N 2 0 280.456 2.800 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C12CCC2 ZINC000429992629 393953815 /nfs/dbraw/zinc/95/38/15/393953815.db2.gz RHOBHTXASXNROR-FJBKBRRZSA-N 2 0 280.456 2.797 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c1 ZINC000271702771 394022548 /nfs/dbraw/zinc/02/25/48/394022548.db2.gz SVNTVDAUEZDARC-UKRRQHHQSA-N 2 0 262.397 2.830 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)C2CC2)[C@@H](C)C1 ZINC000122338655 393967736 /nfs/dbraw/zinc/96/77/36/393967736.db2.gz XDCWBUPCNVHPIF-XIRDDKMYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(Br)s1 ZINC000122368327 393967958 /nfs/dbraw/zinc/96/79/58/393967958.db2.gz VYADPOQATCGBNX-RKDXNWHRSA-N 2 0 289.242 2.680 20 0 CFADRP c1cn(Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)cn1 ZINC000486942823 393972939 /nfs/dbraw/zinc/97/29/39/393972939.db2.gz UMMQSJGPPBDSCL-MRXNPFEDSA-N 2 0 287.432 2.774 20 0 CFADRP CC1=C[C@H](C)C[NH+](CCOCC[N@@H+]2CC(C)=C[C@H](C)C2)C1 ZINC000430273813 393977107 /nfs/dbraw/zinc/97/71/07/393977107.db2.gz BJHQFMUXLAKVMW-RDJZCZTQSA-N 2 0 292.467 2.799 20 0 CFADRP CC(C)(C[NH2+]C/C=C\c1ccncc1)C[NH+]1CCCC1 ZINC000487196732 393988038 /nfs/dbraw/zinc/98/80/38/393988038.db2.gz HVEKZFOTSOWXOW-WAYWQWQTSA-N 2 0 273.424 2.806 20 0 CFADRP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C[NH3+])CC1 ZINC000430633312 394000686 /nfs/dbraw/zinc/00/06/86/394000686.db2.gz ZVCWOPKHDPYKND-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000430725481 394006854 /nfs/dbraw/zinc/00/68/54/394006854.db2.gz UARBFNWGRGPBRA-XHSDSOJGSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430954426 394007740 /nfs/dbraw/zinc/00/77/40/394007740.db2.gz JLVXNKHFVNQVCA-GJZGRUSLSA-N 2 0 250.430 2.888 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000125618769 394010749 /nfs/dbraw/zinc/01/07/49/394010749.db2.gz VOIPYNMYIPSURG-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2CCSC2)cc1F ZINC000487550215 394010886 /nfs/dbraw/zinc/01/08/86/394010886.db2.gz KLEDFEMPWRSTRJ-CYBMUJFWSA-N 2 0 282.428 2.730 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@H]1CC1(C)C ZINC000487554732 394011671 /nfs/dbraw/zinc/01/16/71/394011671.db2.gz FHADJRBEFJKIDU-UKRRQHHQSA-N 2 0 291.439 2.546 20 0 CFADRP CC[NH+](CC)Cc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1 ZINC000276347345 394049237 /nfs/dbraw/zinc/04/92/37/394049237.db2.gz NEQAUNDJYFPFIQ-BQYQJAHWSA-N 2 0 289.423 2.585 20 0 CFADRP C(C[C@@H]1CCOC1)[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437339666 394053647 /nfs/dbraw/zinc/05/36/47/394053647.db2.gz CNBMAOJHRUQIME-WBVHZDCISA-N 2 0 280.456 2.800 20 0 CFADRP C1CCC2(C1)C[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000128125983 394064075 /nfs/dbraw/zinc/06/40/75/394064075.db2.gz YKJGQPODNPQSBJ-HRCADAONSA-N 2 0 278.440 2.695 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c(C)o1 ZINC000278812935 394064228 /nfs/dbraw/zinc/06/42/28/394064228.db2.gz SAVBHHKMOUKCNQ-GXTWGEPZSA-N 2 0 280.412 2.515 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)CC1 ZINC000437703828 394069822 /nfs/dbraw/zinc/06/98/22/394069822.db2.gz WVFOYUFXMOMRAP-ROUUACIJSA-N 2 0 294.483 2.857 20 0 CFADRP C(C[C@@H]1CCOC1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000437797798 394076122 /nfs/dbraw/zinc/07/61/22/394076122.db2.gz JEYDSZHCJAWXJI-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000128856455 394077772 /nfs/dbraw/zinc/07/77/72/394077772.db2.gz RVQWUVQPWUFGBZ-VYDXJSESSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)Oc1ccccc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000128989862 394079865 /nfs/dbraw/zinc/07/98/65/394079865.db2.gz GPUCBQXIRIMSET-ZBFHGGJFSA-N 2 0 276.424 2.904 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000357058742 394083836 /nfs/dbraw/zinc/08/38/36/394083836.db2.gz WDOJCZLXGUEKSJ-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)CC12CCC2 ZINC000357049517 394084287 /nfs/dbraw/zinc/08/42/87/394084287.db2.gz XMBGAWBRHFKHDI-HUUCEWRRSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281881738 394087945 /nfs/dbraw/zinc/08/79/45/394087945.db2.gz GHLYCWDOUYLBRL-CHWSQXEVSA-N 2 0 271.408 2.565 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000281981059 394105165 /nfs/dbraw/zinc/10/51/65/394105165.db2.gz OSOXMVYPSCJYQB-ZIAGYGMSSA-N 2 0 295.430 2.709 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420282062 394116095 /nfs/dbraw/zinc/11/60/95/394116095.db2.gz AMBAIWUDCURTLE-GOEBONIOSA-N 2 0 276.424 2.687 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420942973 394133611 /nfs/dbraw/zinc/13/36/11/394133611.db2.gz VZOLTLXCPJIWSK-RYQLBKOJSA-N 2 0 294.483 2.734 20 0 CFADRP CCC[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976865 394146111 /nfs/dbraw/zinc/14/61/11/394146111.db2.gz HIXMWZMJVZSQQZ-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422815972 394256460 /nfs/dbraw/zinc/25/64/60/394256460.db2.gz YVYCUMBOKUPCGH-GOEBONIOSA-N 2 0 258.409 2.696 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000135086384 394211432 /nfs/dbraw/zinc/21/14/32/394211432.db2.gz YPJHTEMWDAEOBL-RISCZKNCSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@H](C)O1 ZINC000449108859 394215583 /nfs/dbraw/zinc/21/55/83/394215583.db2.gz WIBYGZTVQOTYDH-KEYYUXOJSA-N 2 0 280.456 2.797 20 0 CFADRP OCC1([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC000364527160 394222112 /nfs/dbraw/zinc/22/21/12/394222112.db2.gz KRMZYPDPCLLGFJ-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000449130664 394223202 /nfs/dbraw/zinc/22/32/02/394223202.db2.gz ZYRLVYRNVGAURH-RISCZKNCSA-N 2 0 277.412 2.669 20 0 CFADRP Cc1cn2c(n1)CC[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)C2 ZINC000151014083 394257478 /nfs/dbraw/zinc/25/74/78/394257478.db2.gz HOIUGBLRRBFKDE-OBJOEFQTSA-N 2 0 261.413 2.921 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC12CCCCC2)N1CC[NH+](C)CC1 ZINC000449136649 394225484 /nfs/dbraw/zinc/22/54/84/394225484.db2.gz VSUSBPHUCFTQHG-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000422866394 394257851 /nfs/dbraw/zinc/25/78/51/394257851.db2.gz QLIICDWZSISKOF-FZMABENVSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000139066164 394243636 /nfs/dbraw/zinc/24/36/36/394243636.db2.gz ZGWWBWSZAPHDAT-INIZCTEOSA-N 2 0 298.434 2.657 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000421821356 394244185 /nfs/dbraw/zinc/24/41/85/394244185.db2.gz RAOORFDNCHVGQI-GVDBMIGSSA-N 2 0 285.435 2.545 20 0 CFADRP CC[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422923779 394259291 /nfs/dbraw/zinc/25/92/91/394259291.db2.gz XBGRIGGBFYCORQ-CVEARBPZSA-N 2 0 280.456 2.846 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367621153 394259295 /nfs/dbraw/zinc/25/92/95/394259295.db2.gz ZTPXKYQLMJGMON-KURKYZTESA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)[C@H](C)O1 ZINC000449202681 394250262 /nfs/dbraw/zinc/25/02/62/394250262.db2.gz IYTOLFGCBQMALY-BFQNTYOBSA-N 2 0 280.387 2.543 20 0 CFADRP FCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367150883 394252207 /nfs/dbraw/zinc/25/22/07/394252207.db2.gz KGMBUXOEWFADQG-ZFWWWQNUSA-N 2 0 254.393 2.685 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422749871 394253938 /nfs/dbraw/zinc/25/39/38/394253938.db2.gz BFTVRFUIZPOOMD-WQVCFCJDSA-N 2 0 262.397 2.926 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449218165 394254930 /nfs/dbraw/zinc/25/49/30/394254930.db2.gz FYSBTRVZCUYXJX-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000422993410 394261014 /nfs/dbraw/zinc/26/10/14/394261014.db2.gz SUCSWNMZFSOZAA-CJNGLKHVSA-N 2 0 276.424 2.753 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000423014973 394261366 /nfs/dbraw/zinc/26/13/66/394261366.db2.gz JREMBDFZXCRTEM-YUDUHTQSSA-N 2 0 294.826 2.758 20 0 CFADRP C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1c[nH+]ccc1N ZINC000423064360 394262450 /nfs/dbraw/zinc/26/24/50/394262450.db2.gz RGQUNRHBWJHRDT-BONVTDFDSA-N 2 0 287.338 2.808 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1C1CC1 ZINC000423074194 394264323 /nfs/dbraw/zinc/26/43/23/394264323.db2.gz KYQBKPVOYNVDHU-OWSLCNJRSA-N 2 0 291.483 2.514 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423083216 394266428 /nfs/dbraw/zinc/26/64/28/394266428.db2.gz FPLYZXUCFASGMI-ZMSDIMECSA-N 2 0 278.440 2.740 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423083159 394266521 /nfs/dbraw/zinc/26/65/21/394266521.db2.gz FKDWMMFOPPDAKP-ARFHVFGLSA-N 2 0 275.440 2.618 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423081056 394266573 /nfs/dbraw/zinc/26/65/73/394266573.db2.gz AXHNUYKHYPNYNG-QAPCUYQASA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423086727 394267338 /nfs/dbraw/zinc/26/73/38/394267338.db2.gz NUSRMAMJDFLTEZ-GHJWDPDVSA-N 2 0 262.372 2.659 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000423083749 394267438 /nfs/dbraw/zinc/26/74/38/394267438.db2.gz GRVDGIXQMQOZKJ-IXDOHACOSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000423092431 394269688 /nfs/dbraw/zinc/26/96/88/394269688.db2.gz BWEOVNQVLSZXQM-WBIUFABUSA-N 2 0 268.351 2.928 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)[C@@H]1CC[NH2+]C1 ZINC000423121587 394270407 /nfs/dbraw/zinc/27/04/07/394270407.db2.gz JCOYYHSZKNMWMA-IQJOONFLSA-N 2 0 270.829 2.976 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423141918 394271149 /nfs/dbraw/zinc/27/11/49/394271149.db2.gz SJEJHISYPWQSCP-MWDXBVQZSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1=CCCC1 ZINC000423158948 394271931 /nfs/dbraw/zinc/27/19/31/394271931.db2.gz DTKONDYLJWLIIX-IXDOHACOSA-N 2 0 292.467 2.870 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423215566 394273567 /nfs/dbraw/zinc/27/35/67/394273567.db2.gz QUOINKURLVCKSX-WMLDXEAASA-N 2 0 258.409 2.962 20 0 CFADRP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423260322 394274952 /nfs/dbraw/zinc/27/49/52/394274952.db2.gz PYTFFCWLFMKCJA-YLFCFFPRSA-N 2 0 280.456 2.561 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC([NH3+])(CC)CC)C12CCCC2 ZINC000423287345 394275688 /nfs/dbraw/zinc/27/56/88/394275688.db2.gz LRIVACPNNDMZHH-KBPBESRZSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423365957 394278838 /nfs/dbraw/zinc/27/88/38/394278838.db2.gz KYBKICKTIFQEBT-ZNMIVQPWSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1nccc2ccccc21 ZINC000423390346 394279784 /nfs/dbraw/zinc/27/97/84/394279784.db2.gz KBCKSDPFHJJBPH-XEZPLFJOSA-N 2 0 269.392 2.883 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423393142 394280047 /nfs/dbraw/zinc/28/00/47/394280047.db2.gz QLPOMHDXFZXPHP-UVBJJODRSA-N 2 0 260.381 2.637 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)COC2 ZINC000423393141 394280156 /nfs/dbraw/zinc/28/01/56/394280156.db2.gz QLPOMHDXFZXPHP-KNXALSJPSA-N 2 0 260.381 2.637 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@@H](C)O ZINC000449538667 394280895 /nfs/dbraw/zinc/28/08/95/394280895.db2.gz HNLTXJCMDKIOEJ-ABFRBSLYSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000449558748 394281372 /nfs/dbraw/zinc/28/13/72/394281372.db2.gz ZRJYGLQSVJPPBV-YQQAZPJKSA-N 2 0 281.488 2.569 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423462616 394282970 /nfs/dbraw/zinc/28/29/70/394282970.db2.gz KVPUBWCPIHGPJP-RYUDHWBXSA-N 2 0 297.240 2.633 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000423490053 394283456 /nfs/dbraw/zinc/28/34/56/394283456.db2.gz HISYTHDXSHIPKH-QCAJKXFRSA-N 2 0 292.467 2.559 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000423508910 394285400 /nfs/dbraw/zinc/28/54/00/394285400.db2.gz RDBBZZFTHKJCRX-VNQPRFMTSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cn[nH]c1 ZINC000423507565 394285480 /nfs/dbraw/zinc/28/54/80/394285480.db2.gz JONYAMVOFDRTIP-DOMZBBRYSA-N 2 0 258.369 2.541 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000423516982 394288390 /nfs/dbraw/zinc/28/83/90/394288390.db2.gz UHWXKDWZHNSTBA-KYJSFNMBSA-N 2 0 281.403 2.888 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000423521750 394289379 /nfs/dbraw/zinc/28/93/79/394289379.db2.gz SYALELLGGJKUIT-FAEJEUNOSA-N 2 0 287.451 2.554 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCOC1 ZINC000423524705 394290265 /nfs/dbraw/zinc/29/02/65/394290265.db2.gz JWNFPLZWAKFICL-YSMXEIBASA-N 2 0 292.467 2.545 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000450391635 394291531 /nfs/dbraw/zinc/29/15/31/394291531.db2.gz NKNBGVBVVRUFRO-MSOLQXFVSA-N 2 0 293.499 2.810 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000450391637 394291622 /nfs/dbraw/zinc/29/16/22/394291622.db2.gz NKNBGVBVVRUFRO-ROUUACIJSA-N 2 0 293.499 2.810 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450410501 394291633 /nfs/dbraw/zinc/29/16/33/394291633.db2.gz ZBERRRNOWQQNPC-CHWSQXEVSA-N 2 0 260.372 2.695 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)C1C(C)(C)C1(C)C ZINC000423535597 394293010 /nfs/dbraw/zinc/29/30/10/394293010.db2.gz DNMHQFOXGAWLPE-LBPRGKRZSA-N 2 0 250.430 2.957 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423535055 394293047 /nfs/dbraw/zinc/29/30/47/394293047.db2.gz BTSKLTHSLDXSCV-ZDUSSCGKSA-N 2 0 296.336 2.991 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538991 394294093 /nfs/dbraw/zinc/29/40/93/394294093.db2.gz HLOQSIVDUQTMTR-DMRZNYOFSA-N 2 0 276.399 2.734 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)s1 ZINC000423538552 394294169 /nfs/dbraw/zinc/29/41/69/394294169.db2.gz NASATMGKFGWEAJ-NSHDSACASA-N 2 0 279.453 2.974 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(F)c1F ZINC000423545126 394295552 /nfs/dbraw/zinc/29/55/52/394295552.db2.gz XQOXTHIINOWBEV-LLVKDONJSA-N 2 0 266.335 2.925 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC12CCSCC2)[C@@H]1CCC[NH2+]1 ZINC000423548868 394295917 /nfs/dbraw/zinc/29/59/17/394295917.db2.gz MZLSOALDSHDQKI-RDBSUJKOSA-N 2 0 268.470 2.640 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423553148 394296377 /nfs/dbraw/zinc/29/63/77/394296377.db2.gz VPVTYVNPVHCSMP-MWTISTBLSA-N 2 0 288.435 2.740 20 0 CFADRP C1CC1[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000423551761 394296602 /nfs/dbraw/zinc/29/66/02/394296602.db2.gz OZNFZRJUCBEHDV-NXOAAHMSSA-N 2 0 262.441 2.933 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(C(=O)OC)cc1 ZINC000423559765 394297373 /nfs/dbraw/zinc/29/73/73/394297373.db2.gz OZFYMYRYZCJDGI-INIZCTEOSA-N 2 0 290.407 2.656 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000423556829 394297420 /nfs/dbraw/zinc/29/74/20/394297420.db2.gz ZGZHRIJSYQVONR-IGQOVBAYSA-N 2 0 262.397 2.881 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000423557523 394297421 /nfs/dbraw/zinc/29/74/21/394297421.db2.gz ZXIGVFKTYBCEQI-GBOPCIDUSA-N 2 0 277.387 2.650 20 0 CFADRP C1CCC(OC2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000423563295 394297876 /nfs/dbraw/zinc/29/78/76/394297876.db2.gz RJFPOKKILRNIEZ-CKDBGZEDSA-N 2 0 280.456 2.989 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423572708 394299406 /nfs/dbraw/zinc/29/94/06/394299406.db2.gz YOWVOSBJSMEGOU-KRWDZBQOSA-N 2 0 272.392 2.582 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000154883193 394304384 /nfs/dbraw/zinc/30/43/84/394304384.db2.gz KTNSEOZUQHYFRT-WMZOPIPTSA-N 2 0 289.467 2.753 20 0 CFADRP CN1CCC([N@H+](CCO)CC2CCC(C)(C)CC2)CC1 ZINC000156531862 394335237 /nfs/dbraw/zinc/33/52/37/394335237.db2.gz CZQLBBYWQCWBFJ-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000155825605 394323858 /nfs/dbraw/zinc/32/38/58/394323858.db2.gz XJWLSNFDPJPSSN-BRWVUGGUSA-N 2 0 283.504 2.814 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H](C)O ZINC000450761274 394336577 /nfs/dbraw/zinc/33/65/77/394336577.db2.gz QZIWEMDAGFOQIG-OWCLPIDISA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000157227651 394343132 /nfs/dbraw/zinc/34/31/32/394343132.db2.gz QTLLHXBZVBHAGB-WQGACYEGSA-N 2 0 282.378 2.826 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157283912 394343611 /nfs/dbraw/zinc/34/36/11/394343611.db2.gz ZSMQTPGPZOFENL-SJORKVTESA-N 2 0 273.424 2.594 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000494353629 394350876 /nfs/dbraw/zinc/35/08/76/394350876.db2.gz XMYGZEMQUSJLDT-UHFFFAOYSA-N 2 0 278.440 2.771 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000157924548 394352319 /nfs/dbraw/zinc/35/23/19/394352319.db2.gz SZCKTSOTXXLWSD-VSZNYVQBSA-N 3 0 295.515 2.817 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000158158272 394355056 /nfs/dbraw/zinc/35/50/56/394355056.db2.gz HNHNLWMBTQHBDD-KEYYUXOJSA-N 2 0 258.409 2.851 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000158577724 394358959 /nfs/dbraw/zinc/35/89/59/394358959.db2.gz SWNAKDAVXIFKTE-XLAORIBOSA-N 3 0 295.515 2.674 20 0 CFADRP Cc1ccccc1CC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000451169259 394364182 /nfs/dbraw/zinc/36/41/82/394364182.db2.gz ZVXYWRPVUFTFPZ-KRWDZBQOSA-N 2 0 260.425 2.954 20 0 CFADRP F[C@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](F)C3)c2)C1 ZINC000451203456 394368407 /nfs/dbraw/zinc/36/84/07/394368407.db2.gz ZABSDAZCERIWSM-HOTGVXAUSA-N 2 0 280.362 2.774 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165336889 394369551 /nfs/dbraw/zinc/36/95/51/394369551.db2.gz ICDWSGAXJRMFHB-WMZOPIPTSA-N 2 0 290.451 2.566 20 0 CFADRP Fc1ccc(F)c(CNCCn2ccnc2)c1Cl ZINC000527631870 394393126 /nfs/dbraw/zinc/39/31/26/394393126.db2.gz OYLMBVKDSDBLGE-UHFFFAOYSA-N 2 0 271.698 2.605 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453258846 394382477 /nfs/dbraw/zinc/38/24/77/394382477.db2.gz UJEJQHONNXSYDQ-MGPQQGTHSA-N 2 0 264.417 2.599 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000453316801 394384680 /nfs/dbraw/zinc/38/46/80/394384680.db2.gz IVHBLZNOJZQECT-UTSKFRMZSA-N 2 0 282.472 2.756 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527519056 394387760 /nfs/dbraw/zinc/38/77/60/394387760.db2.gz GYPSPLUNICMJED-HNNXBMFYSA-N 2 0 298.377 2.825 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000178408704 394387865 /nfs/dbraw/zinc/38/78/65/394387865.db2.gz FEYBTXIKHXQIRO-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP COC(C)(C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000178468594 394388289 /nfs/dbraw/zinc/38/82/89/394388289.db2.gz ZYYWQLWAGQDLOU-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc[nH+]c(C)c2)cc1 ZINC000528141366 394396065 /nfs/dbraw/zinc/39/60/65/394396065.db2.gz SWNIEWBNJVQCIQ-KRWDZBQOSA-N 2 0 297.402 2.507 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527663410 394396338 /nfs/dbraw/zinc/39/63/38/394396338.db2.gz ZPPDHXUIKVCAPI-BODMPHMZSA-N 2 0 292.467 2.512 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000088747879 135056668 /nfs/dbraw/zinc/05/66/68/135056668.db2.gz ONPDIJXEZCXFIU-CQSZACIVSA-N 2 0 257.381 2.749 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453402985 394397443 /nfs/dbraw/zinc/39/74/43/394397443.db2.gz GIGLSGPMTKJEQF-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CCO1 ZINC000453403865 394397842 /nfs/dbraw/zinc/39/78/42/394397842.db2.gz OZKFOIZIAAKFIL-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000453404551 394398042 /nfs/dbraw/zinc/39/80/42/394398042.db2.gz DLGILWFKHFFNOL-RDBSUJKOSA-N 2 0 272.383 2.884 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cccs2)C1 ZINC000685455213 542916720 /nfs/dbraw/zinc/91/67/20/542916720.db2.gz JQTGGPLDNNWIDB-UONOGXRCSA-N 2 0 266.454 2.999 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000685561846 542927420 /nfs/dbraw/zinc/92/74/20/542927420.db2.gz FJQZMFYCLNZOPF-UHFFFAOYSA-N 2 0 279.428 2.845 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC12CC2 ZINC000527845202 394415787 /nfs/dbraw/zinc/41/57/87/394415787.db2.gz DAGQXAYVLAFOST-PBHICJAKSA-N 2 0 288.435 2.905 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)OCC ZINC000527926667 394427113 /nfs/dbraw/zinc/42/71/13/394427113.db2.gz BJNVULPICWQCOL-QKPAOTATSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OCC ZINC000527936229 394428528 /nfs/dbraw/zinc/42/85/28/394428528.db2.gz XLIDAYMECNUMSO-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OCC ZINC000527936230 394428747 /nfs/dbraw/zinc/42/87/47/394428747.db2.gz XLIDAYMECNUMSO-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP C1=CCC(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000530213583 394482785 /nfs/dbraw/zinc/48/27/85/394482785.db2.gz ANZIEPVXBYUEBZ-FUHWJXTLSA-N 2 0 284.403 2.798 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530219547 394487117 /nfs/dbraw/zinc/48/71/17/394487117.db2.gz JUXHIQOMEKTPPY-OAHLLOKOSA-N 2 0 250.430 2.744 20 0 CFADRP Cc1ncccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000530223296 394488962 /nfs/dbraw/zinc/48/89/62/394488962.db2.gz SYLAIIRPVPEOKS-CZUORRHYSA-N 2 0 261.413 2.790 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000530226897 394490594 /nfs/dbraw/zinc/49/05/94/394490594.db2.gz ZNDIUFFLMDATFE-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226330 394490820 /nfs/dbraw/zinc/49/08/20/394490820.db2.gz ZUJVKPNPBJXSKF-DLBZAZTESA-N 2 0 270.420 2.882 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000530225664 394491273 /nfs/dbraw/zinc/49/12/73/394491273.db2.gz OVXUQDDKVXJMGR-IBPCWRJOSA-N 2 0 268.445 2.699 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000530225690 394491286 /nfs/dbraw/zinc/49/12/86/394491286.db2.gz OVXUQDDKVXJMGR-ODICJLLRSA-N 2 0 268.445 2.699 20 0 CFADRP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCC[NH3+] ZINC000530230961 394492109 /nfs/dbraw/zinc/49/21/09/394492109.db2.gz FIRYXRVAKNBXOZ-CQSZACIVSA-N 2 0 250.361 2.742 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1 ZINC000530232184 394492962 /nfs/dbraw/zinc/49/29/62/394492962.db2.gz OIWUOMIBWQKJTN-JSGCOSHPSA-N 2 0 298.377 2.857 20 0 CFADRP Cc1nccn1CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000536573640 394561126 /nfs/dbraw/zinc/56/11/26/394561126.db2.gz TXWXLTJVXSOXCB-QGZVFWFLSA-N 2 0 285.391 2.573 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@H]2CN(C)C[C@H]2C)c(C)c1 ZINC000536829403 394571679 /nfs/dbraw/zinc/57/16/79/394571679.db2.gz YYYARIHWSBXSPJ-WBVHZDCISA-N 2 0 260.425 2.694 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000537306183 394579806 /nfs/dbraw/zinc/57/98/06/394579806.db2.gz CLSCPVZCHXIODJ-AWEZNQCLSA-N 2 0 276.399 2.998 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000537944681 394594819 /nfs/dbraw/zinc/59/48/19/394594819.db2.gz JZCDLUVRHUAQCD-JKSUJKDBSA-N 2 0 291.439 2.690 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000539405779 394625560 /nfs/dbraw/zinc/62/55/60/394625560.db2.gz LTPHRPXTCZEENQ-QGZVFWFLSA-N 2 0 295.515 2.913 20 0 CFADRP C[C@@H](CC[NH2+]Cc1ccc2[nH]cnc2c1)[NH+]1CCCCC1 ZINC000541371295 394672311 /nfs/dbraw/zinc/67/23/11/394672311.db2.gz VHDNDJZWLDTKFK-AWEZNQCLSA-N 2 0 286.423 2.917 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000547433012 394867203 /nfs/dbraw/zinc/86/72/03/394867203.db2.gz OMVKMZXCHVMEHG-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000546626570 394833341 /nfs/dbraw/zinc/83/33/41/394833341.db2.gz FTDFLNWTYHUKFJ-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000547357220 394861642 /nfs/dbraw/zinc/86/16/42/394861642.db2.gz XZGOFOKXGSBPDK-JTQLQIEISA-N 2 0 264.335 2.791 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)[C@@H](C)C1 ZINC000554696740 394956264 /nfs/dbraw/zinc/95/62/64/394956264.db2.gz AAKBWKMEMKPBQT-LRDDRELGSA-N 2 0 282.378 2.827 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000558607962 395066434 /nfs/dbraw/zinc/06/64/34/395066434.db2.gz SXLJKLVZFKNXAQ-INIZCTEOSA-N 2 0 283.504 2.769 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)N1CCC(C)CC1 ZINC000558696813 395071640 /nfs/dbraw/zinc/07/16/40/395071640.db2.gz FKOZVZVHDHQHIK-QXSJWSMHSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000648436442 395141844 /nfs/dbraw/zinc/14/18/44/395141844.db2.gz VBKWQTZPCFQWFS-HOCLYGCPSA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000648448158 395147509 /nfs/dbraw/zinc/14/75/09/395147509.db2.gz MRXQERHGUVNDIA-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000648453022 395150124 /nfs/dbraw/zinc/15/01/24/395150124.db2.gz QFMZPSSZZQTWDG-RRFJBIMHSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648439122 395142696 /nfs/dbraw/zinc/14/26/96/395142696.db2.gz IVKUEUGHBSAODT-WMLDXEAASA-N 2 0 260.425 2.864 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648438483 395143029 /nfs/dbraw/zinc/14/30/29/395143029.db2.gz QLFFTJNOZJDYCB-KRWDZBQOSA-N 2 0 260.425 2.865 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000180560291 543014313 /nfs/dbraw/zinc/01/43/13/543014313.db2.gz VVMSJDYAONKLLL-SMDDNHRTSA-N 2 0 266.433 2.735 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000180808649 543016316 /nfs/dbraw/zinc/01/63/16/543016316.db2.gz VEZMCFKGMKHNAL-ZDUSSCGKSA-N 2 0 299.422 2.680 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC000648658687 395238720 /nfs/dbraw/zinc/23/87/20/395238720.db2.gz ROKCWYFYKQHROM-CJNGLKHVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647177002 395201792 /nfs/dbraw/zinc/20/17/92/395201792.db2.gz HKEGTJNQPWJHDK-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2CC(C)C)CC1 ZINC000647179915 395203985 /nfs/dbraw/zinc/20/39/85/395203985.db2.gz VUEMGAGVPXHGEW-UHFFFAOYSA-N 2 0 292.471 2.751 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000648594421 395212674 /nfs/dbraw/zinc/21/26/74/395212674.db2.gz JFGGRUWIPFEKQB-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP FC(F)OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000648817862 395325017 /nfs/dbraw/zinc/32/50/17/395325017.db2.gz DVFNYCCEXAEZIQ-QPPOZKHWSA-N 2 0 288.382 2.753 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000647324935 395291728 /nfs/dbraw/zinc/29/17/28/395291728.db2.gz NUGSIRMHFPFHGG-MXASKKJJSA-N 2 0 258.409 2.862 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)ccc21 ZINC000647479858 395353347 /nfs/dbraw/zinc/35/33/47/395353347.db2.gz WTJORAUKVWNMBG-CVEARBPZSA-N 2 0 298.434 2.537 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)ccc21 ZINC000647479859 395353880 /nfs/dbraw/zinc/35/38/80/395353880.db2.gz WTJORAUKVWNMBG-HOTGVXAUSA-N 2 0 298.434 2.537 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000647491856 395358818 /nfs/dbraw/zinc/35/88/18/395358818.db2.gz UQEGNMNIMZYIFY-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000647496532 395358989 /nfs/dbraw/zinc/35/89/89/395358989.db2.gz RNYYCTPSEJCNCV-NWDGAFQWSA-N 2 0 279.453 2.581 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498920 395364348 /nfs/dbraw/zinc/36/43/48/395364348.db2.gz UDHIOMNLRIUJTO-PBHICJAKSA-N 2 0 298.434 2.646 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000647530985 395375026 /nfs/dbraw/zinc/37/50/26/395375026.db2.gz UBDOCPSWEQTPEP-LBPRGKRZSA-N 2 0 250.361 2.742 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647532996 395377438 /nfs/dbraw/zinc/37/74/38/395377438.db2.gz JJMKGKPHENSCIY-SOUVJXGZSA-N 2 0 250.430 2.887 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542869 395384678 /nfs/dbraw/zinc/38/46/78/395384678.db2.gz DEBYTGRUMISJKM-KBPBESRZSA-N 2 0 264.438 2.960 20 0 CFADRP c1nc2ccccn2c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544052 395385580 /nfs/dbraw/zinc/38/55/80/395385580.db2.gz VWUVKMBNRNGODB-JKSUJKDBSA-N 2 0 298.434 2.546 20 0 CFADRP c1nc2ccccn2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544051 395385883 /nfs/dbraw/zinc/38/58/83/395385883.db2.gz VWUVKMBNRNGODB-HZPDHXFCSA-N 2 0 298.434 2.546 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1c(C)noc1C ZINC000647548455 395387282 /nfs/dbraw/zinc/38/72/82/395387282.db2.gz BHKVYELMGHNFRA-TUVASFSCSA-N 2 0 277.412 2.720 20 0 CFADRP Cc1ccccc1C1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000647552473 395390310 /nfs/dbraw/zinc/39/03/10/395390310.db2.gz APAFLMWHOLKACH-CABCVRRESA-N 2 0 258.409 2.962 20 0 CFADRP COc1ccc(C[N@H+](C[C@H]2CC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000647873414 395449416 /nfs/dbraw/zinc/44/94/16/395449416.db2.gz HGXSGWAVVTZYEY-ZBFHGGJFSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)C[N@H+](CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647879563 395450163 /nfs/dbraw/zinc/45/01/63/395450163.db2.gz QJJMKCMKXFUFOT-QGZVFWFLSA-N 2 0 260.425 2.797 20 0 CFADRP CC[C@H]1c2ccsc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879880 395450171 /nfs/dbraw/zinc/45/01/71/395450171.db2.gz SYBJXPQXLWGSQT-AAEUAGOBSA-N 2 0 250.411 2.667 20 0 CFADRP Fc1ccccc1CC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884335 395452343 /nfs/dbraw/zinc/45/23/43/395452343.db2.gz CHLOSZUXSQJTFK-OAHLLOKOSA-N 2 0 276.399 2.690 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885723 395452419 /nfs/dbraw/zinc/45/24/19/395452419.db2.gz JNEADRJDOUYGAC-RDJZCZTQSA-N 2 0 258.409 2.650 20 0 CFADRP CC(C)C[C@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647884571 395452543 /nfs/dbraw/zinc/45/25/43/395452543.db2.gz FZSOKJXRQIBVJR-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000647890804 395454048 /nfs/dbraw/zinc/45/40/48/395454048.db2.gz WJPCPBVMYGYYLD-OAHLLOKOSA-N 2 0 270.486 2.840 20 0 CFADRP c1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CC2)nc1 ZINC000647987998 395473763 /nfs/dbraw/zinc/47/37/63/395473763.db2.gz DFJBYHNMAWCIDG-UHFFFAOYSA-N 2 0 273.424 2.826 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000647934599 395460949 /nfs/dbraw/zinc/46/09/49/395460949.db2.gz KBPRDAXYQXWWLG-ZBFHGGJFSA-N 2 0 264.388 2.818 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000647992073 395474185 /nfs/dbraw/zinc/47/41/85/395474185.db2.gz BEDURASABOXDIO-BZSNNMDCSA-N 2 0 272.436 2.987 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647937239 395461701 /nfs/dbraw/zinc/46/17/01/395461701.db2.gz UAALTHRECGQRMO-MSOLQXFVSA-N 2 0 290.451 2.695 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccccc2OC)CC[C@@H]1[NH3+] ZINC000647935092 395461852 /nfs/dbraw/zinc/46/18/52/395461852.db2.gz ZEACNRSYUDPDQL-HOCLYGCPSA-N 2 0 276.424 2.687 20 0 CFADRP CC[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@H]2C)CC[C@H]1[NH3+] ZINC000647937345 395462505 /nfs/dbraw/zinc/46/25/05/395462505.db2.gz WHRSLGKQFFLTEL-KLHDSHLOSA-N 2 0 268.445 2.641 20 0 CFADRP COCC1(C)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647990018 395474326 /nfs/dbraw/zinc/47/43/26/395474326.db2.gz QZLLDVSJYMMZRG-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CC(C)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC(C)(C)C ZINC000647966658 395469173 /nfs/dbraw/zinc/46/91/73/395469173.db2.gz CSABWOISYSMERL-OAHLLOKOSA-N 2 0 272.477 2.692 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)C(C)(C)C ZINC000647967178 395469700 /nfs/dbraw/zinc/46/97/00/395469700.db2.gz WEAOXXMOILLILQ-QGZVFWFLSA-N 2 0 292.467 2.988 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)C(C)(C)C ZINC000647967177 395470039 /nfs/dbraw/zinc/47/00/39/395470039.db2.gz WEAOXXMOILLILQ-KRWDZBQOSA-N 2 0 292.467 2.988 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975956 395471379 /nfs/dbraw/zinc/47/13/79/395471379.db2.gz ICQLYLGDHOFTCX-IRXDYDNUSA-N 2 0 288.435 2.777 20 0 CFADRP FCCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977869 395471662 /nfs/dbraw/zinc/47/16/62/395471662.db2.gz JFELNIKHSPJESC-GJZGRUSLSA-N 2 0 256.409 2.838 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975954 395471680 /nfs/dbraw/zinc/47/16/80/395471680.db2.gz ICQLYLGDHOFTCX-DLBZAZTESA-N 2 0 288.435 2.777 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786690 395427766 /nfs/dbraw/zinc/42/77/66/395427766.db2.gz WILNKDGZCRBZJR-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786139 395428126 /nfs/dbraw/zinc/42/81/26/395428126.db2.gz JBOZOTNWZXGYKU-KCQAQPDRSA-N 2 0 294.826 2.697 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647786832 395428672 /nfs/dbraw/zinc/42/86/72/395428672.db2.gz ZNTJUCVZFFYYHD-TVFCKZIOSA-N 2 0 299.462 2.633 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788108 395428869 /nfs/dbraw/zinc/42/88/69/395428869.db2.gz CKDUORKORXZXSK-WCXIOVBPSA-N 2 0 288.435 2.740 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647786830 395428972 /nfs/dbraw/zinc/42/89/72/395428972.db2.gz ZNTJUCVZFFYYHD-FJIDUMEYSA-N 2 0 299.462 2.633 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789834 395429437 /nfs/dbraw/zinc/42/94/37/395429437.db2.gz MFXOPCTUTLHDJK-VSZNYVQBSA-N 3 0 293.499 2.619 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000647791527 395429506 /nfs/dbraw/zinc/42/95/06/395429506.db2.gz GQPPMGSOUQJIFN-TXTZMMAHSA-N 2 0 270.420 2.910 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789835 395429607 /nfs/dbraw/zinc/42/96/07/395429607.db2.gz MFXOPCTUTLHDJK-XMTFNYHQSA-N 3 0 293.499 2.619 20 0 CFADRP c1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647791772 395429808 /nfs/dbraw/zinc/42/98/08/395429808.db2.gz MSTWDMXYBUXKAK-OFQRWUPVSA-N 2 0 256.393 2.653 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647791614 395429907 /nfs/dbraw/zinc/42/99/07/395429907.db2.gz ISIRWGXENRJWBB-HRCADAONSA-N 2 0 280.456 2.561 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1F ZINC000647793757 395430226 /nfs/dbraw/zinc/43/02/26/395430226.db2.gz HFXFIQPOXGWXSY-JHJVBQTASA-N 2 0 298.352 2.624 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791951 395430254 /nfs/dbraw/zinc/43/02/54/395430254.db2.gz QVSUPHULUUUJGU-GVDBMIGSSA-N 2 0 288.435 2.660 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793958 395431218 /nfs/dbraw/zinc/43/12/18/395431218.db2.gz MZQZVCDXJKRVDZ-ILZRDFNYSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793934 395431298 /nfs/dbraw/zinc/43/12/98/395431298.db2.gz MOLQDVGRWZVPPF-QAXWGOSPSA-N 2 0 280.456 2.700 20 0 CFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000647794141 395431326 /nfs/dbraw/zinc/43/13/26/395431326.db2.gz SAILJTSTIQCKOD-IPMKNSEASA-N 2 0 284.447 2.769 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793767 395431553 /nfs/dbraw/zinc/43/15/53/395431553.db2.gz HRQGLRWIDGTUDM-MELADBBJSA-N 2 0 264.438 2.577 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647795422 395431917 /nfs/dbraw/zinc/43/19/17/395431917.db2.gz PVIMHVLKZWYXDA-WNRNVDISSA-N 2 0 288.435 2.742 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000647795423 395432094 /nfs/dbraw/zinc/43/20/94/395432094.db2.gz PVIMHVLKZWYXDA-XMTFNYHQSA-N 2 0 288.435 2.742 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647798252 395432761 /nfs/dbraw/zinc/43/27/61/395432761.db2.gz NRVRYGXTINXLAN-OXGONZEZSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2[nH]1 ZINC000647796979 395432807 /nfs/dbraw/zinc/43/28/07/395432807.db2.gz TWKPFPOONXEXMZ-BHYGNILZSA-N 2 0 283.419 2.954 20 0 CFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647796679 395433022 /nfs/dbraw/zinc/43/30/22/395433022.db2.gz JKBMBJBATKHIPP-IGQOVBAYSA-N 2 0 272.383 2.790 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647800388 395433445 /nfs/dbraw/zinc/43/34/45/395433445.db2.gz AGDSLQNPTWUSTC-NXEZZACHSA-N 2 0 271.355 2.791 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798819 395433846 /nfs/dbraw/zinc/43/38/46/395433846.db2.gz XWPJEBNZAQKTDS-LJISPDSOSA-N 2 0 288.460 2.854 20 0 CFADRP Cc1ccccc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647801407 395434755 /nfs/dbraw/zinc/43/47/55/395434755.db2.gz UZCQRUYZTRQDSR-ARFHVFGLSA-N 2 0 270.420 2.962 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800791 395434818 /nfs/dbraw/zinc/43/48/18/395434818.db2.gz KMKJRLVXNFRMJO-SVGFKBNWSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC(F)F ZINC000647801440 395434858 /nfs/dbraw/zinc/43/48/58/395434858.db2.gz VRRKCXQVRIYFEX-UMSGYPCISA-N 2 0 260.372 2.788 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCC2CC[NH2+]CC2)CC1 ZINC000649411817 395489091 /nfs/dbraw/zinc/48/90/91/395489091.db2.gz FEEWRWZUAPNTOV-UHFFFAOYSA-N 3 0 281.488 2.572 20 0 CFADRP c1ccc2oc([C@@H]3CCC[N@@H+](C[C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411605 395489183 /nfs/dbraw/zinc/48/91/83/395489183.db2.gz KCUSOYKBQRBEDW-UONOGXRCSA-N 2 0 285.391 2.617 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072201 395497563 /nfs/dbraw/zinc/49/75/63/395497563.db2.gz QXTLFSFTDIRKKR-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000649903671 395588859 /nfs/dbraw/zinc/58/88/59/395588859.db2.gz SQTQKHNEFJKGJO-STQMWFEESA-N 2 0 258.356 2.592 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000037565835 543030117 /nfs/dbraw/zinc/03/01/17/543030117.db2.gz UCOZGVRKUZSTTP-BBRMVZONSA-N 2 0 258.409 2.646 20 0 CFADRP CC(C)OCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186640123 543052993 /nfs/dbraw/zinc/05/29/93/543052993.db2.gz PLQGQARRENESEI-HNNXBMFYSA-N 2 0 294.439 2.703 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000311503923 413086179 /nfs/dbraw/zinc/08/61/79/413086179.db2.gz XOVKKMHIMPTOEO-IRXDYDNUSA-N 2 0 258.409 2.680 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000312521554 413090971 /nfs/dbraw/zinc/09/09/71/413090971.db2.gz OOEOQXURQBSYDT-ROUUACIJSA-N 2 0 270.420 2.736 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000401052349 413160516 /nfs/dbraw/zinc/16/05/16/413160516.db2.gz YXXOIJOMKQBWFH-RBSFLKMASA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000401112908 413159185 /nfs/dbraw/zinc/15/91/85/413159185.db2.gz HQTABAWAZVJPCR-SOUVJXGZSA-N 2 0 252.446 2.892 20 0 CFADRP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401063912 413159447 /nfs/dbraw/zinc/15/94/47/413159447.db2.gz HUADPSXSZOSNKZ-XJFOESAGSA-N 2 0 272.383 2.790 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401019739 413159655 /nfs/dbraw/zinc/15/96/55/413159655.db2.gz WUHIDMMADMBDIG-RWMBFGLXSA-N 2 0 294.826 2.826 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000401164539 413163890 /nfs/dbraw/zinc/16/38/90/413163890.db2.gz URYBWEFLNMKKND-GVDBMIGSSA-N 3 0 293.499 2.619 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401149299 413164349 /nfs/dbraw/zinc/16/43/49/413164349.db2.gz OZTASLRGAXYYNQ-GVDBMIGSSA-N 2 0 258.409 2.515 20 0 CFADRP Cc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000051668586 397589943 /nfs/dbraw/zinc/58/99/43/397589943.db2.gz JURZRDVBNHFVJD-ALOPSCKCSA-N 2 0 258.409 2.752 20 0 CFADRP COC1(C[C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CCC1 ZINC000429438366 292125178 /nfs/dbraw/zinc/12/51/78/292125178.db2.gz UQLNEDHYYDTVKF-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759210 397885355 /nfs/dbraw/zinc/88/53/55/397885355.db2.gz GIGUFZIHEZILGG-GOEBONIOSA-N 2 0 275.440 2.911 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759087 397885471 /nfs/dbraw/zinc/88/54/71/397885471.db2.gz CPEAHJNDVRTTMF-YESZJQIVSA-N 2 0 287.451 2.911 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)oc1C ZINC000650761513 397886997 /nfs/dbraw/zinc/88/69/97/397886997.db2.gz AWXYURUAIVTBLC-LBPRGKRZSA-N 2 0 250.386 2.937 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650762693 397887228 /nfs/dbraw/zinc/88/72/28/397887228.db2.gz HVKGTWWBGVZNQO-DYVFJYSZSA-N 2 0 258.409 2.899 20 0 CFADRP Fc1cncc([C@H]([NH2+]CCC2CC[NH2+]CC2)C2CC2)c1 ZINC000650762063 397887272 /nfs/dbraw/zinc/88/72/72/397887272.db2.gz RPRMNTYQIJLCAA-MRXNPFEDSA-N 2 0 277.387 2.651 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762519 397887286 /nfs/dbraw/zinc/88/72/86/397887286.db2.gz CLYLRGMINLPHRS-JTQLQIEISA-N 2 0 252.324 2.697 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650703344 397859445 /nfs/dbraw/zinc/85/94/45/397859445.db2.gz WNGZJHFXXJWRNS-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703908 397860027 /nfs/dbraw/zinc/86/00/27/397860027.db2.gz XKBMEQOOVDBCSZ-MRXNPFEDSA-N 2 0 258.409 2.653 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650707072 397860887 /nfs/dbraw/zinc/86/08/87/397860887.db2.gz XWNMUZSQHUSGLG-OFQRWUPVSA-N 2 0 294.464 2.775 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000650763469 397887849 /nfs/dbraw/zinc/88/78/49/397887849.db2.gz AKHHNLSDTOVAIY-GOSISDBHSA-N 2 0 272.436 2.987 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763227 397887903 /nfs/dbraw/zinc/88/79/03/397887903.db2.gz VHURTJRCKQVOFN-JKSUJKDBSA-N 2 0 282.472 2.950 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[NH2+]C[C@H](C)C1)C1CCCCC1 ZINC000650710589 397862624 /nfs/dbraw/zinc/86/26/24/397862624.db2.gz SQSDISNHYJBBEJ-HZPDHXFCSA-N 2 0 281.488 2.619 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(CC)CC ZINC000650763396 397887941 /nfs/dbraw/zinc/88/79/41/397887941.db2.gz ZBUZZXMZQRKSQQ-HOTGVXAUSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CCC2(C[NH3+])CC2)C[C@@H]1c1ccccc1 ZINC000650713333 397864576 /nfs/dbraw/zinc/86/45/76/397864576.db2.gz PDRRRNZNCHHFNU-CWRNSKLLSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1 ZINC000650713065 397864626 /nfs/dbraw/zinc/86/46/26/397864626.db2.gz CVCMBZSPXCLTRX-NVXWUHKLSA-N 3 0 287.451 2.541 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650714094 397865499 /nfs/dbraw/zinc/86/54/99/397865499.db2.gz QZTZJCSXHRRVFF-UHFFFAOYSA-N 2 0 282.815 2.957 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000650713684 397865655 /nfs/dbraw/zinc/86/56/55/397865655.db2.gz ZTMIEHJFCYIYCO-AWEZNQCLSA-N 2 0 282.378 2.972 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650721895 397870591 /nfs/dbraw/zinc/87/05/91/397870591.db2.gz FJRVCWKRUJHGGE-RBSFLKMASA-N 2 0 294.464 2.917 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cn1 ZINC000650763977 397888594 /nfs/dbraw/zinc/88/85/94/397888594.db2.gz NIGRFBQZJOWWRX-CYBMUJFWSA-N 2 0 264.417 2.504 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650722523 397871047 /nfs/dbraw/zinc/87/10/47/397871047.db2.gz VZXMDHCIWFXZLG-FVQBIDKESA-N 2 0 294.464 2.917 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650722525 397871438 /nfs/dbraw/zinc/87/14/38/397871438.db2.gz VZXMDHCIWFXZLG-NUEKZKHPSA-N 2 0 294.464 2.917 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OC)c(OC)c1 ZINC000650743385 397877574 /nfs/dbraw/zinc/87/75/74/397877574.db2.gz SDKFOGHAPLNCIZ-AWEZNQCLSA-N 2 0 292.423 2.874 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744337 397878395 /nfs/dbraw/zinc/87/83/95/397878395.db2.gz LRPFEJPRNZJZDT-CYBMUJFWSA-N 2 0 262.397 2.783 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1F ZINC000650745781 397878783 /nfs/dbraw/zinc/87/87/83/397878783.db2.gz NQWZJEOWSQALIG-CQSZACIVSA-N 2 0 250.361 2.995 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H](C)C2 ZINC000650745212 397878911 /nfs/dbraw/zinc/87/89/11/397878911.db2.gz BSGLCKWWLNVIKT-BBRMVZONSA-N 2 0 258.409 2.947 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000650745150 397878967 /nfs/dbraw/zinc/87/89/67/397878967.db2.gz APXGLCZZLSLZMO-CQSZACIVSA-N 2 0 266.335 2.671 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(CC)CC ZINC000650745707 397879037 /nfs/dbraw/zinc/87/90/37/397879037.db2.gz MBRLJEXLPVFATG-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000650746138 397879397 /nfs/dbraw/zinc/87/93/97/397879397.db2.gz WTUZDVDDSSUYIV-QGZVFWFLSA-N 2 0 281.403 2.890 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746814 397879736 /nfs/dbraw/zinc/87/97/36/397879736.db2.gz LUFBXGBKWHCUFW-JTQLQIEISA-N 2 0 254.399 2.536 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747835 397880212 /nfs/dbraw/zinc/88/02/12/397880212.db2.gz IPCIZBJIJPUVCU-YJLNNSPDSA-N 2 0 295.430 2.571 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650751782 397882899 /nfs/dbraw/zinc/88/28/99/397882899.db2.gz AUZLOOXFKMOWNT-QZWWFDLISA-N 2 0 289.423 2.551 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650751784 397882917 /nfs/dbraw/zinc/88/29/17/397882917.db2.gz AUZLOOXFKMOWNT-VQHPVUNQSA-N 2 0 289.423 2.551 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650753408 397883727 /nfs/dbraw/zinc/88/37/27/397883727.db2.gz MTFFAGHVTDTDJN-GJZGRUSLSA-N 2 0 280.387 2.578 20 0 CFADRP c1cc2c(cc[nH+]c2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000663396500 413179606 /nfs/dbraw/zinc/17/96/06/413179606.db2.gz CLNJKQXCMGRBAJ-NEPJUHHUSA-N 2 0 256.353 2.602 20 0 CFADRP COC1([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000421848925 292135299 /nfs/dbraw/zinc/13/52/99/292135299.db2.gz BDEZJQULPVLTEA-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP c1cc2c(cc[nH+]c2N2CCC[C@@H]([NH+]3CCCC3)C2)[nH]1 ZINC000663394600 413181784 /nfs/dbraw/zinc/18/17/84/413181784.db2.gz XNYWQNBMZPYQSO-CYBMUJFWSA-N 2 0 270.380 2.628 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404287044 413193850 /nfs/dbraw/zinc/19/38/50/413193850.db2.gz INGGHTVSKZEPBG-SWLSCSKDSA-N 2 0 250.361 2.775 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc(OC)c1 ZINC000404298696 413196550 /nfs/dbraw/zinc/19/65/50/413196550.db2.gz YJHLJVRNFVTQBV-CXAGYDPISA-N 2 0 292.423 2.653 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404318189 413197786 /nfs/dbraw/zinc/19/77/86/413197786.db2.gz PMWGGHHUKXLGMQ-WMLDXEAASA-N 2 0 276.424 2.687 20 0 CFADRP COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404400858 413203677 /nfs/dbraw/zinc/20/36/77/413203677.db2.gz RDBJUQFKFPEMLY-WMLDXEAASA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2ccccc2F)[C@H]1CC[NH3+] ZINC000404428230 413207106 /nfs/dbraw/zinc/20/71/06/413207106.db2.gz MXTIKTRIVSWQBR-HIFRSBDPSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)[C@@H]1CC[NH3+] ZINC000404426801 413207176 /nfs/dbraw/zinc/20/71/76/413207176.db2.gz MEEZSAQGOFDLDI-CZUORRHYSA-N 2 0 280.387 2.654 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1C ZINC000404425304 413207328 /nfs/dbraw/zinc/20/73/28/413207328.db2.gz LGTHSCDEMMUOKQ-CZUORRHYSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@@H]1CC[NH3+] ZINC000404450110 413207734 /nfs/dbraw/zinc/20/77/34/413207734.db2.gz YJTZPBWKZHRQHT-CRAIPNDOSA-N 2 0 298.434 2.822 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000356221278 155187354 /nfs/dbraw/zinc/18/73/54/155187354.db2.gz PAPZPAUAOITEDZ-BPUTZDHNSA-N 2 0 250.430 2.862 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000656782003 413220142 /nfs/dbraw/zinc/22/01/42/413220142.db2.gz CGRCOAPLCYCVSC-TXCZRRACSA-N 2 0 273.424 2.695 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261621470 286028783 /nfs/dbraw/zinc/02/87/83/286028783.db2.gz ABFGFKCSJCHYNR-HRCADAONSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(N)c2)CC1 ZINC000656785063 413224430 /nfs/dbraw/zinc/22/44/30/413224430.db2.gz JZUWVWIPJPQAHZ-UHFFFAOYSA-N 2 0 261.413 2.621 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[C@H]1C ZINC000663464887 413224463 /nfs/dbraw/zinc/22/44/63/413224463.db2.gz GQWNIGZCRNNHAX-CLWVCHIJSA-N 2 0 250.430 2.743 20 0 CFADRP c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785925 413225522 /nfs/dbraw/zinc/22/55/22/413225522.db2.gz NHVQGMFCWFHCNA-MRXNPFEDSA-N 2 0 298.434 2.546 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000090723055 286050233 /nfs/dbraw/zinc/05/02/33/286050233.db2.gz ILNWESFJDLDOEI-KKUMJFAQSA-N 2 0 268.445 2.512 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000656787382 413228555 /nfs/dbraw/zinc/22/85/55/413228555.db2.gz JUCHAAWQXMUCCT-OAHLLOKOSA-N 2 0 272.436 2.822 20 0 CFADRP COCC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261584710 292198418 /nfs/dbraw/zinc/19/84/18/292198418.db2.gz SNXBFTJCKHTRKP-KBPBESRZSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cncs1 ZINC000663468297 413231359 /nfs/dbraw/zinc/23/13/59/413231359.db2.gz LJTKXZLSRITOON-TZMCWYRMSA-N 2 0 279.453 2.916 20 0 CFADRP Cc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)nc1 ZINC000663471441 413233254 /nfs/dbraw/zinc/23/32/54/413233254.db2.gz HXBQMZGUHZIOPJ-UHFFFAOYSA-N 2 0 282.391 2.862 20 0 CFADRP CCc1noc(C2CCC([NH2+]CC3([NH3+])CCCC3)CC2)n1 ZINC000656788851 413234802 /nfs/dbraw/zinc/23/48/02/413234802.db2.gz DUOGINQJFZGXCP-UHFFFAOYSA-N 2 0 292.427 2.519 20 0 CFADRP Cc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)cc1 ZINC000423446688 292205600 /nfs/dbraw/zinc/20/56/00/292205600.db2.gz YVNCBLMJUXQEJQ-VVLHAWIVSA-N 2 0 256.393 2.644 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC000424321512 286114401 /nfs/dbraw/zinc/11/44/01/286114401.db2.gz UJIUCWKFEQQYAU-RHJCGQNESA-N 2 0 280.456 2.652 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CCCC1 ZINC000335039002 296626201 /nfs/dbraw/zinc/62/62/01/296626201.db2.gz JUASISAUWKBDDM-WBVHZDCISA-N 2 0 272.392 2.775 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H](C)C2 ZINC000656792205 413240246 /nfs/dbraw/zinc/24/02/46/413240246.db2.gz PQVUOSIABFJZJQ-UNEWFSDZSA-N 2 0 258.409 2.960 20 0 CFADRP CCOC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000189345459 286168910 /nfs/dbraw/zinc/16/89/10/286168910.db2.gz BWNGGUVEVRZAOS-HNNXBMFYSA-N 2 0 270.461 2.900 20 0 CFADRP CCOC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000233789083 286169646 /nfs/dbraw/zinc/16/96/46/286169646.db2.gz FTMSTIFTIQMHPV-OAGGEKHMSA-N 2 0 262.397 2.782 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000353929594 286179547 /nfs/dbraw/zinc/17/95/47/286179547.db2.gz NHKOFYHFBZHXOT-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000663499246 413247433 /nfs/dbraw/zinc/24/74/33/413247433.db2.gz HLMRWEWJNAFZGY-IUODEOHRSA-N 2 0 295.402 2.506 20 0 CFADRP c1ccc(C[C@H]2CC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000663501510 413247159 /nfs/dbraw/zinc/24/71/59/413247159.db2.gz WYYZNVOIQQWGNK-RZZCCWGQSA-N 2 0 270.420 2.739 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000663500959 413247228 /nfs/dbraw/zinc/24/72/28/413247228.db2.gz WWLVJSOVRVBZMI-JQHSSLGASA-N 2 0 295.515 2.993 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423161755 286206123 /nfs/dbraw/zinc/20/61/23/286206123.db2.gz JNXJMAYDBSYZIR-IAOVAPTHSA-N 2 0 291.439 2.847 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663499400 413247610 /nfs/dbraw/zinc/24/76/10/413247610.db2.gz ZMXDBUKRNQBHJZ-MRXNPFEDSA-N 2 0 264.413 2.938 20 0 CFADRP COc1cccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)c1 ZINC000663503259 413248551 /nfs/dbraw/zinc/24/85/51/413248551.db2.gz MLBKPJCRXSWEIM-UHFFFAOYSA-N 2 0 274.408 2.664 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000663503402 413251103 /nfs/dbraw/zinc/25/11/03/413251103.db2.gz RGEBKRUCWIZRJT-IUODEOHRSA-N 2 0 295.402 2.506 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@]1(C)CC[NH2+]C1 ZINC000663503231 413251443 /nfs/dbraw/zinc/25/14/43/413251443.db2.gz LVBUVUVPSIVKRW-DLBZAZTESA-N 2 0 258.409 2.962 20 0 CFADRP COCC1(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC[NH2+]CC1 ZINC000414978808 292249827 /nfs/dbraw/zinc/24/98/27/292249827.db2.gz TZPITGOPXCHKBF-CABCVRRESA-N 2 0 282.472 2.807 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1(C)C ZINC000227498672 286278803 /nfs/dbraw/zinc/27/88/03/286278803.db2.gz NUORZFZOLDSXEC-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(CC)CC ZINC000425943265 286282663 /nfs/dbraw/zinc/28/26/63/286282663.db2.gz PZVDKAMUFIIIHF-RBSFLKMASA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000422919596 286288213 /nfs/dbraw/zinc/28/82/13/286288213.db2.gz KCNDWHCDSKVAHM-ZJIFWQFVSA-N 2 0 280.456 2.844 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1 ZINC000423540930 286355165 /nfs/dbraw/zinc/35/51/65/286355165.db2.gz RDZMPNBWSXTDNB-CQSZACIVSA-N 2 0 274.408 2.964 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347080364 286367193 /nfs/dbraw/zinc/36/71/93/286367193.db2.gz XIEJDVZRNABTHB-FMKPAKJESA-N 2 0 276.424 2.858 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423233882 286371155 /nfs/dbraw/zinc/37/11/55/286371155.db2.gz KQSFNJCPFHUTOK-NFAWXSAZSA-N 2 0 262.397 2.529 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1cccc(F)c1 ZINC000653299172 413280724 /nfs/dbraw/zinc/28/07/24/413280724.db2.gz DQISKPZZZCRDFL-DOMZBBRYSA-N 2 0 250.361 2.570 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCC[NH3+] ZINC000423331418 286386345 /nfs/dbraw/zinc/38/63/45/286386345.db2.gz QJAKKDFSXWRBLC-HNNXBMFYSA-N 2 0 262.397 2.746 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1(CC)CC ZINC000423345985 286391476 /nfs/dbraw/zinc/39/14/76/286391476.db2.gz PISJRDNUHISVSF-ARFHVFGLSA-N 2 0 282.472 2.950 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C12CCC2 ZINC000422787222 286397600 /nfs/dbraw/zinc/39/76/00/286397600.db2.gz UDMXRDRGUDYVAQ-APIJFGDWSA-N 2 0 266.429 2.584 20 0 CFADRP CC[N@H+]1C[C@H](NCCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000343087051 154109280 /nfs/dbraw/zinc/10/92/80/154109280.db2.gz UKVSONPXJJLXIC-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cc(OC(F)F)cc[nH+]1 ZINC001168769373 782009869 /nfs/dbraw/zinc/00/98/69/782009869.db2.gz PQOBZCKPXJZCQY-UHFFFAOYSA-N 2 0 273.327 2.683 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cnc3ccc(C)cn23)C1(C)C ZINC000345700060 154244728 /nfs/dbraw/zinc/24/47/28/154244728.db2.gz JJECYMUGSVYZCN-APHBMKBZSA-N 2 0 287.407 2.792 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422892400 292307435 /nfs/dbraw/zinc/30/74/35/292307435.db2.gz YJGNZQINTDVQMZ-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]CCCC2CCCCC2)CC1 ZINC000348138571 154335892 /nfs/dbraw/zinc/33/58/92/154335892.db2.gz FTGMVISCAINMMQ-UHFFFAOYSA-N 2 0 295.515 2.964 20 0 CFADRP C[NH+]1CCN(CCC[NH2+]CCC2CCCCCC2)CC1 ZINC000348137767 154336745 /nfs/dbraw/zinc/33/67/45/154336745.db2.gz DDUYVIRUMMCSIN-UHFFFAOYSA-N 2 0 281.488 2.574 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348141808 154337925 /nfs/dbraw/zinc/33/79/25/154337925.db2.gz MKESIKFOMHYQHO-AWEZNQCLSA-N 2 0 272.396 2.749 20 0 CFADRP COCCCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000234627663 292318479 /nfs/dbraw/zinc/31/84/79/292318479.db2.gz ZMCGLRNQYCCMPM-HUUCEWRRSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355597347 155050965 /nfs/dbraw/zinc/05/09/65/155050965.db2.gz FBQYQLIGKUHPCP-OOHWJJMZSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C12CCC2 ZINC000164517063 286491475 /nfs/dbraw/zinc/49/14/75/286491475.db2.gz SDOBNLNNKNKUAD-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422816757 286499734 /nfs/dbraw/zinc/49/97/34/286499734.db2.gz BGWJKBNZSOSQIE-XIRDDKMYSA-N 2 0 290.451 2.992 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000359943865 156027117 /nfs/dbraw/zinc/02/71/17/156027117.db2.gz RGZUBUGLONPNIZ-ZACQAIPSSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000360154022 156037088 /nfs/dbraw/zinc/03/70/88/156037088.db2.gz NEGNTCRZXODQDK-GOEBONIOSA-N 2 0 293.430 2.582 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000363861015 156201588 /nfs/dbraw/zinc/20/15/88/156201588.db2.gz MCYYTYMVHVAAEO-WBVHZDCISA-N 2 0 294.483 2.782 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000364783108 156223997 /nfs/dbraw/zinc/22/39/97/156223997.db2.gz BVQPIVRJBACIBS-IRXDYDNUSA-N 2 0 280.456 2.752 20 0 CFADRP Cn1ccnc1[C@@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000367132492 156285657 /nfs/dbraw/zinc/28/56/57/156285657.db2.gz CEBIZWACBYMKSP-IAGOWNOFSA-N 2 0 299.418 2.723 20 0 CFADRP FCCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367150881 156287051 /nfs/dbraw/zinc/28/70/51/156287051.db2.gz KGMBUXOEWFADQG-HIFRSBDPSA-N 2 0 254.393 2.685 20 0 CFADRP CCOC1CC2(C1)CC[N@H+](CCC[NH+](CC)CC)C2 ZINC000367591903 156355573 /nfs/dbraw/zinc/35/55/73/156355573.db2.gz ACRPIZMKSIDXGP-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000367614659 156362413 /nfs/dbraw/zinc/36/24/13/156362413.db2.gz IRISDZNUUPWHML-PMPSAXMXSA-N 2 0 262.372 2.788 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1(CC)CC ZINC000423538047 286539524 /nfs/dbraw/zinc/53/95/24/286539524.db2.gz LWVSVXVBWVUBAO-HOTGVXAUSA-N 2 0 280.456 2.870 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000367625832 156369120 /nfs/dbraw/zinc/36/91/20/156369120.db2.gz ZDASPSJASVVGAU-BMFZPTHFSA-N 2 0 292.398 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)nc2)[C@H]2CCC[C@H]21 ZINC000367744981 156386735 /nfs/dbraw/zinc/38/67/35/156386735.db2.gz BNCDLCXSRVZJSF-QLFBSQMISA-N 2 0 293.842 2.740 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000657182658 413333376 /nfs/dbraw/zinc/33/33/76/413333376.db2.gz IBLJODUSGGVVEV-ZDUSSCGKSA-N 2 0 293.480 2.843 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373525163 157003984 /nfs/dbraw/zinc/00/39/84/157003984.db2.gz XWJNXGPKBPKSJL-WLYUNCDWSA-N 2 0 296.455 2.713 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000374064905 157063437 /nfs/dbraw/zinc/06/34/37/157063437.db2.gz ALSGYSIVWFSLTR-QZTJIDSGSA-N 2 0 295.515 2.628 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000374167155 157077866 /nfs/dbraw/zinc/07/78/66/157077866.db2.gz ZWFCFEMWPXPJQR-ULQDDVLXSA-N 2 0 282.472 2.590 20 0 CFADRP Cn1cc([C@H](NCC[C@@H]2CCC[N@@H+]2C)c2ccccc2)cn1 ZINC000374598915 157135907 /nfs/dbraw/zinc/13/59/07/157135907.db2.gz ZMWGDFNVFORIOR-ZWKOTPCHSA-N 2 0 298.434 2.583 20 0 CFADRP COCCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374907049 157172252 /nfs/dbraw/zinc/17/22/52/157172252.db2.gz CGGKAHOEPPNGCD-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000375107644 157196072 /nfs/dbraw/zinc/19/60/72/157196072.db2.gz DNOLSJAIYKCKSH-IAGOWNOFSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375751021 157279726 /nfs/dbraw/zinc/27/97/26/157279726.db2.gz QCHGFXGALIPDBI-SJLPKXTDSA-N 2 0 298.434 2.511 20 0 CFADRP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000375751023 157279861 /nfs/dbraw/zinc/27/98/61/157279861.db2.gz QCHGFXGALIPDBI-WMZOPIPTSA-N 2 0 298.434 2.511 20 0 CFADRP c1cncc(-c2c[nH+]ccc2NCCC[NH+]2CCCCC2)c1 ZINC000376072751 157319638 /nfs/dbraw/zinc/31/96/38/157319638.db2.gz BCJDGUAJBBAWRO-UHFFFAOYSA-N 2 0 296.418 2.853 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C1CCCCC1 ZINC000660489540 413353565 /nfs/dbraw/zinc/35/35/65/413353565.db2.gz YARNLTUOWNVJJY-ZBFHGGJFSA-N 2 0 270.461 2.588 20 0 CFADRP C[NH+]1CCC([C@H]2CCN(c3[nH+]ccc4[nH]ccc43)C2)CC1 ZINC000663746073 413354981 /nfs/dbraw/zinc/35/49/81/413354981.db2.gz HABTUSIFDJGZAZ-AWEZNQCLSA-N 2 0 284.407 2.731 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000651219420 413355049 /nfs/dbraw/zinc/35/50/49/413355049.db2.gz UQVHYDHKILHXLE-INIZCTEOSA-N 2 0 250.430 2.887 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000651227065 413358746 /nfs/dbraw/zinc/35/87/46/413358746.db2.gz VGQTXOZSQCPNGV-LSDHHAIUSA-N 2 0 270.461 2.638 20 0 CFADRP COCCC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180415930 292382141 /nfs/dbraw/zinc/38/21/41/292382141.db2.gz WXPTUJOOJGHHAE-ZDUSSCGKSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422717158 299813394 /nfs/dbraw/zinc/81/33/94/299813394.db2.gz VPYUTVKHQNMMIB-SLTXQBBLSA-N 2 0 268.445 2.689 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)c(C)c1 ZINC000657290853 413405076 /nfs/dbraw/zinc/40/50/76/413405076.db2.gz ULXXYSYOYNUEAN-MRXNPFEDSA-N 2 0 276.424 2.968 20 0 CFADRP CC[C@@H](C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)OC ZINC000412979796 286833484 /nfs/dbraw/zinc/83/34/84/286833484.db2.gz VVCSHSHLMGEHFR-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414933950 298384653 /nfs/dbraw/zinc/38/46/53/298384653.db2.gz XJSMGQZUQUDPBY-GMTAPVOTSA-N 2 0 252.324 2.967 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000657305932 413423984 /nfs/dbraw/zinc/42/39/84/413423984.db2.gz ONCXHJAOBJSLLU-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000657313481 413429894 /nfs/dbraw/zinc/42/98/94/413429894.db2.gz SFMKOQLYUQHUQN-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)C[NH+]1CCCC1 ZINC000372999028 286878697 /nfs/dbraw/zinc/87/86/97/286878697.db2.gz JAKHZAADJSRTCG-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000657310884 413431231 /nfs/dbraw/zinc/43/12/31/413431231.db2.gz QULVCSMMOSMRIX-KURKYZTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651377630 413432639 /nfs/dbraw/zinc/43/26/39/413432639.db2.gz QPJHRPLEWPSTCF-YPMHNXCESA-N 2 0 296.377 2.664 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000651384196 413433436 /nfs/dbraw/zinc/43/34/36/413433436.db2.gz RWGVXZXAZRRRAD-YJBOKZPZSA-N 2 0 290.451 2.564 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(cccc3C)[nH]2)C1 ZINC000657315961 413436126 /nfs/dbraw/zinc/43/61/26/413436126.db2.gz VZNGQFMHYGAQMC-CQSZACIVSA-N 2 0 271.408 2.908 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CO1 ZINC000657314286 413438260 /nfs/dbraw/zinc/43/82/60/413438260.db2.gz ZMQPHRJNTGHKOF-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344299786 162000456 /nfs/dbraw/zinc/00/04/56/162000456.db2.gz FVDHMIJCBKHIDI-HOTGVXAUSA-N 2 0 280.456 2.678 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344299790 162000903 /nfs/dbraw/zinc/00/09/03/162000903.db2.gz FVDHMIJCBKHIDI-JKSUJKDBSA-N 2 0 280.456 2.678 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000344476612 162052807 /nfs/dbraw/zinc/05/28/07/162052807.db2.gz OYWJHOGDOWGQQZ-KBXCAEBGSA-N 2 0 281.403 2.788 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000344688663 162099248 /nfs/dbraw/zinc/09/92/48/162099248.db2.gz VMDLVEWSMMVAAX-YOEHRIQHSA-N 2 0 298.434 2.957 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCOCC[NH+](CC)CC)C1 ZINC000349668908 163000114 /nfs/dbraw/zinc/00/01/14/163000114.db2.gz RUQVCQATIDUWOT-HOTGVXAUSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000349660078 163001111 /nfs/dbraw/zinc/00/11/11/163001111.db2.gz AWTAMAVXMSPMSU-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC[C@H]1C ZINC000349664503 163001197 /nfs/dbraw/zinc/00/11/97/163001197.db2.gz MATDYFNLMUCNKH-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)OCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000349697471 163004310 /nfs/dbraw/zinc/00/43/10/163004310.db2.gz WSGHUMPZRCJNGT-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccn2C)CC1 ZINC000350184163 163066070 /nfs/dbraw/zinc/06/60/70/163066070.db2.gz MROFLLJLBNBSEQ-UHFFFAOYSA-N 2 0 263.429 2.579 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000350183237 163066458 /nfs/dbraw/zinc/06/64/58/163066458.db2.gz FGFUBTMFCKPKHG-UHFFFAOYSA-N 2 0 272.436 2.949 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000350175959 163066599 /nfs/dbraw/zinc/06/65/99/163066599.db2.gz KNHKOIVEGKUSDC-UHFFFAOYSA-N 2 0 252.427 2.830 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)ccc1C ZINC000350269889 163070502 /nfs/dbraw/zinc/07/05/02/163070502.db2.gz SLDRXEMLSAIYCO-UHFFFAOYSA-N 2 0 282.403 2.582 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000351220107 163122703 /nfs/dbraw/zinc/12/27/03/163122703.db2.gz DECVDJVNKLJDLQ-ZIAGYGMSSA-N 2 0 256.459 2.688 20 0 CFADRP CCN(Cc1ccc(Cl)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351449333 163129369 /nfs/dbraw/zinc/12/93/69/163129369.db2.gz YXHMKEJWHKUBSA-INIZCTEOSA-N 2 0 296.842 2.617 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3cccc4ccccc43)C[C@@H]12 ZINC000351502000 163136088 /nfs/dbraw/zinc/13/60/88/163136088.db2.gz YQLLHUUQEKKGQR-KBAYOESNSA-N 2 0 296.414 2.888 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000351853958 163203966 /nfs/dbraw/zinc/20/39/66/163203966.db2.gz PYCVAANMUFHJPT-CHWSQXEVSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000351857165 163205728 /nfs/dbraw/zinc/20/57/28/163205728.db2.gz WTIZLZCDUOUIQY-ZBFHGGJFSA-N 2 0 284.403 2.888 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2occc2c1 ZINC000352742169 163227325 /nfs/dbraw/zinc/22/73/25/163227325.db2.gz MKVGMVVNXGEOSC-UHFFFAOYSA-N 2 0 290.407 2.881 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)o1 ZINC000352809348 163238783 /nfs/dbraw/zinc/23/87/83/163238783.db2.gz HGEVWMUGHUEGRW-IIYDPXPESA-N 2 0 276.424 2.981 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000352834733 163247769 /nfs/dbraw/zinc/24/77/69/163247769.db2.gz ITTOOOAXTHDFDH-DOTOQJQBSA-N 2 0 293.499 2.594 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000352840847 163249889 /nfs/dbraw/zinc/24/98/89/163249889.db2.gz OZAIMWSHPSLSOA-GOEBONIOSA-N 2 0 268.445 2.537 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000352929158 163271481 /nfs/dbraw/zinc/27/14/81/163271481.db2.gz BRDYTKUSDFBMDM-SZMVWBNQSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000352929155 163271738 /nfs/dbraw/zinc/27/17/38/163271738.db2.gz BRDYTKUSDFBMDM-CGTJXYLNSA-N 2 0 293.499 2.594 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000353264555 163333675 /nfs/dbraw/zinc/33/36/75/163333675.db2.gz IKBXXMXUCHAAJQ-OOHWJJMZSA-N 2 0 288.435 2.930 20 0 CFADRP CC(C)[C@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cn1 ZINC000353341652 163349018 /nfs/dbraw/zinc/34/90/18/163349018.db2.gz CJMFXJZIRYYPKB-HNNXBMFYSA-N 2 0 265.376 2.602 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000353394137 163357055 /nfs/dbraw/zinc/35/70/55/163357055.db2.gz LOKQUBQKBPOIIQ-UHFFFAOYSA-N 2 0 268.351 2.927 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2F)[C@@H]2CCC[C@@H]21 ZINC000353391601 163357726 /nfs/dbraw/zinc/35/77/26/163357726.db2.gz DCJPTIOBDWKOLX-BPUTZDHNSA-N 2 0 292.398 2.667 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000353437821 163366438 /nfs/dbraw/zinc/36/64/38/163366438.db2.gz FCTDHZLKGFYNIK-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000353449072 163368453 /nfs/dbraw/zinc/36/84/53/163368453.db2.gz MJSHZUURCOOHOF-QGZVFWFLSA-N 2 0 275.440 2.596 20 0 CFADRP CC[C@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@@H]1CC ZINC000353474200 163372562 /nfs/dbraw/zinc/37/25/62/163372562.db2.gz HKHNSLCWKLYDPN-HOTGVXAUSA-N 2 0 282.472 2.876 20 0 CFADRP Cc1ccc2nc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cn2c1 ZINC000353512546 163382331 /nfs/dbraw/zinc/38/23/31/163382331.db2.gz DOKCGMVRILMHNP-GVDBMIGSSA-N 2 0 298.434 2.605 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1F ZINC000353527322 163387392 /nfs/dbraw/zinc/38/73/92/163387392.db2.gz KTDIIWLXGZXKDB-UHFFFAOYSA-N 2 0 294.414 2.677 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000353541491 163388699 /nfs/dbraw/zinc/38/86/99/163388699.db2.gz IJCWUERBLVTAHR-TWGQIWQCSA-N 2 0 288.435 2.742 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](CC2CCCCC2)CC1 ZINC000353564519 163395852 /nfs/dbraw/zinc/39/58/52/163395852.db2.gz CQJKRTGYWVVESL-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000660642233 413457717 /nfs/dbraw/zinc/45/77/17/413457717.db2.gz NTTMLNCFVXWUMP-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cccc(O)c2)CC[NH+](C)CC1 ZINC000353626043 163409926 /nfs/dbraw/zinc/40/99/26/163409926.db2.gz TTYGPVIEQISORI-ZDUSSCGKSA-N 2 0 294.464 2.870 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC000660642702 413458774 /nfs/dbraw/zinc/45/87/74/413458774.db2.gz UKRKOUOUWVXPPR-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000334873400 287012676 /nfs/dbraw/zinc/01/26/76/287012676.db2.gz JAEWNUSHLKFPDM-CABCVRRESA-N 2 0 280.456 2.704 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+][C@@H](C)CC[NH+](C)C)cc21 ZINC000657336132 413465341 /nfs/dbraw/zinc/46/53/41/413465341.db2.gz XIIAZHNHKLMOEW-ZDUSSCGKSA-N 2 0 259.397 2.906 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C1CCSCC1 ZINC000187166158 287021426 /nfs/dbraw/zinc/02/14/26/287021426.db2.gz BPFZZDQQXQTFLJ-CYBMUJFWSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000158166502 287022014 /nfs/dbraw/zinc/02/20/14/287022014.db2.gz CTFCYAWSAQTALC-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879972 287022553 /nfs/dbraw/zinc/02/25/53/287022553.db2.gz LESDPNCVAWXFSZ-ZACQAIPSSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)C1CCC(F)(F)CC1 ZINC000423543363 287026156 /nfs/dbraw/zinc/02/61/56/287026156.db2.gz BRBMCEGVPDYWMV-LLVKDONJSA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000422909661 287052943 /nfs/dbraw/zinc/05/29/43/287052943.db2.gz ONUQWDOTDVSRRI-QLFBSQMISA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000651430878 413471126 /nfs/dbraw/zinc/47/11/26/413471126.db2.gz FVAVJWDQMJXQAA-ZOBUZTSGSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCOCC[NH+](CC)CC)C1 ZINC000349668909 287060551 /nfs/dbraw/zinc/06/05/51/287060551.db2.gz RUQVCQATIDUWOT-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C[NH+](C)C ZINC000310766276 289698556 /nfs/dbraw/zinc/69/85/56/289698556.db2.gz NUXWJBQSZLHJPN-WOPDTQHZSA-N 2 0 266.351 2.895 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657877 413474477 /nfs/dbraw/zinc/47/44/77/413474477.db2.gz BMKJIFGKQOHBHI-GOSISDBHSA-N 2 0 287.451 2.670 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[NH+]1CCCC1 ZINC000020129069 171016421 /nfs/dbraw/zinc/01/64/21/171016421.db2.gz VPDCIXHEEBSMPO-OAHLLOKOSA-N 2 0 276.424 2.789 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657353905 413486977 /nfs/dbraw/zinc/48/69/77/413486977.db2.gz KZUDYYBGBXRHIM-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000660675863 413492232 /nfs/dbraw/zinc/49/22/32/413492232.db2.gz NRBGSGAKKCUWLM-KRWDZBQOSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000651484435 413496705 /nfs/dbraw/zinc/49/67/05/413496705.db2.gz AVRVYLMEGWLHDP-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CO1 ZINC000657362977 413500321 /nfs/dbraw/zinc/50/03/21/413500321.db2.gz DDTFZHNQWRXJGR-MCIONIFRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CCC2CCCC2)CC1 ZINC000660695311 413503869 /nfs/dbraw/zinc/50/38/69/413503869.db2.gz NTPMBRXABBOWLI-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccc(-n2cccn2)c1)C1CC1 ZINC000651599769 413525446 /nfs/dbraw/zinc/52/54/46/413525446.db2.gz RNBNZEFQUXMDEX-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP Cc1c[nH]c(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000657385152 413536099 /nfs/dbraw/zinc/53/60/99/413536099.db2.gz YRFBUTKYKKOISR-OAHLLOKOSA-N 2 0 286.423 2.718 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)CO1 ZINC000657391045 413542244 /nfs/dbraw/zinc/54/22/44/413542244.db2.gz MUMWZTWHQHDWHH-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2CCC3)C1 ZINC000651647300 413547487 /nfs/dbraw/zinc/54/74/87/413547487.db2.gz KNYYYESBUDENGE-HNNXBMFYSA-N 2 0 272.436 2.949 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000651674355 413562053 /nfs/dbraw/zinc/56/20/53/413562053.db2.gz LSNOTGRWYCVUBF-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651676548 413560096 /nfs/dbraw/zinc/56/00/96/413560096.db2.gz DMOSDLUCSYKMHV-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000651680831 413567649 /nfs/dbraw/zinc/56/76/49/413567649.db2.gz SLEFGZANVSPYEH-SJORKVTESA-N 2 0 258.409 2.965 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651708844 413581193 /nfs/dbraw/zinc/58/11/93/413581193.db2.gz CGEUKYAFTCDTDB-BPQIPLTHSA-N 2 0 293.499 2.713 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000651706868 413582845 /nfs/dbraw/zinc/58/28/45/413582845.db2.gz QGTQAQPAKKYWPS-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP Cc1ncc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)n1C ZINC000657419285 413578862 /nfs/dbraw/zinc/57/88/62/413578862.db2.gz ACQLSJVUDZPNIA-UHFFFAOYSA-N 2 0 291.345 2.828 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794154 413645467 /nfs/dbraw/zinc/64/54/67/413645467.db2.gz GGKABKRTZTWPNE-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1 ZINC000657471779 413649422 /nfs/dbraw/zinc/64/94/22/413649422.db2.gz HUVYJPBYMDFKSA-ZDUSSCGKSA-N 2 0 264.413 2.681 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCCCC1(C)C)CCO2 ZINC000660907434 413650304 /nfs/dbraw/zinc/65/03/04/413650304.db2.gz YMRMVRJLKLQVTL-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3cnccc3o2)C1 ZINC000651811517 413653108 /nfs/dbraw/zinc/65/31/08/413653108.db2.gz SBIIOVBQUNQMKD-BBRMVZONSA-N 2 0 285.391 2.744 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC1CCCC1 ZINC000660925989 413663812 /nfs/dbraw/zinc/66/38/12/413663812.db2.gz JWGAURLCJHKCDS-DLBZAZTESA-N 2 0 282.472 2.732 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H](c1ccccc1)N(C)C ZINC000657438362 413608337 /nfs/dbraw/zinc/60/83/37/413608337.db2.gz JKHBRUNBDDJNLZ-RDTXWAMCSA-N 2 0 298.434 2.610 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](COC)CC(C)(C)C)CC1 ZINC000651749619 413611150 /nfs/dbraw/zinc/61/11/50/413611150.db2.gz CQJPFECTQBMJAK-OAHLLOKOSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCCC[C@H]1C ZINC000651753022 413616069 /nfs/dbraw/zinc/61/60/69/413616069.db2.gz AZPFHUUTHODKQC-OAGGEKHMSA-N 2 0 270.461 2.902 20 0 CFADRP CCC(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657448453 413620803 /nfs/dbraw/zinc/62/08/03/413620803.db2.gz ZWIPXPPTTRZZDZ-UHFFFAOYSA-N 2 0 258.369 2.793 20 0 CFADRP Cc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000664403585 413744704 /nfs/dbraw/zinc/74/47/04/413744704.db2.gz PBEADNRDEQPIRB-CQSZACIVSA-N 2 0 259.397 2.631 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CC1CCOCC1 ZINC000651865984 413685626 /nfs/dbraw/zinc/68/56/26/413685626.db2.gz PIWTXVHNTYUMJJ-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000657504393 413698726 /nfs/dbraw/zinc/69/87/26/413698726.db2.gz GEJAXILKTSBTHP-FZNQNYSPSA-N 2 0 276.424 2.824 20 0 CFADRP CC[N@H+](CCC[NH2+][C@@H]1CCO[C@H]1C)C1CCCCC1 ZINC000651910061 413709790 /nfs/dbraw/zinc/70/97/90/413709790.db2.gz FVAHMICUIXRQBF-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]1C ZINC000657537753 413721660 /nfs/dbraw/zinc/72/16/60/413721660.db2.gz SCNPBQHYHCVEOV-JKIFEVAISA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@H](C)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612619 413793832 /nfs/dbraw/zinc/79/38/32/413793832.db2.gz BJAXAOQFSRUQQW-HNNXBMFYSA-N 2 0 275.440 2.929 20 0 CFADRP c1cc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc[nH+]1 ZINC000652051178 413799838 /nfs/dbraw/zinc/79/98/38/413799838.db2.gz WSYIKRCEFFVDQK-UHFFFAOYSA-N 2 0 271.408 2.973 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1Cl ZINC000657574520 413761347 /nfs/dbraw/zinc/76/13/47/413761347.db2.gz XOIHIVZEMANJLF-AWEZNQCLSA-N 2 0 297.874 2.702 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657593543 413779858 /nfs/dbraw/zinc/77/98/58/413779858.db2.gz AJAVMNOAORNHBW-JLSDUUJJSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H]([NH2+]CCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000036778538 172695712 /nfs/dbraw/zinc/69/57/12/172695712.db2.gz LLRMBGORZIBAQA-CYBMUJFWSA-N 2 0 264.388 2.688 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC(C)(C)F ZINC000657645128 413816565 /nfs/dbraw/zinc/81/65/65/413816565.db2.gz LDSZSYWFVHHQQW-UHFFFAOYSA-N 2 0 276.359 2.804 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000657657836 413824189 /nfs/dbraw/zinc/82/41/89/413824189.db2.gz UAUFNHRTKFVMDB-KEYYUXOJSA-N 2 0 282.391 2.793 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CCCC2)CC1 ZINC000661231483 413834021 /nfs/dbraw/zinc/83/40/21/413834021.db2.gz ORDZZKOIIXTXMB-MRXNPFEDSA-N 2 0 282.472 2.734 20 0 CFADRP COC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C1CCCC1 ZINC000652221927 413837250 /nfs/dbraw/zinc/83/72/50/413837250.db2.gz AIBVUJUACUWZAJ-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CCC(O)CC1)C1CCCCC1 ZINC000652238155 413843978 /nfs/dbraw/zinc/84/39/78/413843978.db2.gz VHMWGSVXRIVLPI-UHFFFAOYSA-N 2 0 282.472 2.924 20 0 CFADRP C[C@@]1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1(F)F ZINC000657674137 413847586 /nfs/dbraw/zinc/84/75/86/413847586.db2.gz YSVAZEJWYNMJMD-CQSZACIVSA-N 2 0 292.333 2.792 20 0 CFADRP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000664654728 413886079 /nfs/dbraw/zinc/88/60/79/413886079.db2.gz VSKRCFMBJRZMAY-OAHLLOKOSA-N 2 0 299.418 2.782 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285568052 196329087 /nfs/dbraw/zinc/32/90/87/196329087.db2.gz SEPNFIOWMOPGNV-SJPCQFCGSA-N 2 0 288.435 2.931 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3occc3c2)C1 ZINC000285568086 196329371 /nfs/dbraw/zinc/32/93/71/196329371.db2.gz VXEGLUITKNIQQW-CQSZACIVSA-N 2 0 258.365 2.864 20 0 CFADRP Fc1ccccc1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000652358510 413905760 /nfs/dbraw/zinc/90/57/60/413905760.db2.gz NXDIRZQLLCRCTA-ZBFHGGJFSA-N 2 0 276.399 2.832 20 0 CFADRP CCn1cc(C[N@H+](CC[C@H]2CCC[NH2+]C2)C(C)C)cn1 ZINC000652358529 413906566 /nfs/dbraw/zinc/90/65/66/413906566.db2.gz PTQJNECREKKSRW-OAHLLOKOSA-N 2 0 278.444 2.503 20 0 CFADRP CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661500852 414015237 /nfs/dbraw/zinc/01/52/37/414015237.db2.gz VLHYLCKOWFOTCS-IKGGRYGDSA-N 2 0 282.472 2.732 20 0 CFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661500854 414015897 /nfs/dbraw/zinc/01/58/97/414015897.db2.gz VLHYLCKOWFOTCS-ZACQAIPSSA-N 2 0 282.472 2.732 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C2(OC)CCC2)CC1 ZINC000657870218 414017478 /nfs/dbraw/zinc/01/74/78/414017478.db2.gz CLATWOUHUZXWRB-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812496 413961934 /nfs/dbraw/zinc/96/19/34/413961934.db2.gz DRACIZAUKCJIST-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP FCC1(CF)CC([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000657824998 413977159 /nfs/dbraw/zinc/97/71/59/413977159.db2.gz TYKPJJOPYFYRFS-UHFFFAOYSA-N 2 0 260.372 2.540 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000657839135 413991912 /nfs/dbraw/zinc/99/19/12/413991912.db2.gz MMIAIPAGULPTNL-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657838292 413992677 /nfs/dbraw/zinc/99/26/77/413992677.db2.gz QKJDMEPHLRYNKE-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[N@H+](CCOc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000037539179 173259916 /nfs/dbraw/zinc/25/99/16/173259916.db2.gz DDZATGLRRBIMTM-UHFFFAOYSA-N 2 0 280.387 2.669 20 0 CFADRP CCC[N@H+](Cc1cccc(OC)c1)C1CC[NH2+]CC1 ZINC000037539255 173259952 /nfs/dbraw/zinc/25/99/52/173259952.db2.gz DPLRHKQRILKWCU-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000657976571 414082034 /nfs/dbraw/zinc/08/20/34/414082034.db2.gz QPHVZVOTYWKIBI-KURKYZTESA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070517 414152232 /nfs/dbraw/zinc/15/22/32/414152232.db2.gz WMZJCOUWKXWCKW-CQSZACIVSA-N 2 0 268.445 2.512 20 0 CFADRP C([NH2+][C@H]1CCCC12CC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000658070392 414153519 /nfs/dbraw/zinc/15/35/19/414153519.db2.gz OOOHBBVZIVVIFV-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000658067352 414153946 /nfs/dbraw/zinc/15/39/46/414153946.db2.gz MVUQOEAIRWELSN-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070822 414154211 /nfs/dbraw/zinc/15/42/11/414154211.db2.gz RLTQHYZNXNYWAQ-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070820 414154936 /nfs/dbraw/zinc/15/49/36/414154936.db2.gz RLTQHYZNXNYWAQ-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@@H]1CCCSCC1)C1CC[NH+](C2CC2)CC1 ZINC000657994765 414093497 /nfs/dbraw/zinc/09/34/97/414093497.db2.gz WVDDIPVTWDSIKO-CQSZACIVSA-N 2 0 268.470 2.736 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000658030789 414115623 /nfs/dbraw/zinc/11/56/23/414115623.db2.gz HGUXUZQBGKRXLB-ZDUSSCGKSA-N 2 0 256.459 2.736 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000658036107 414122320 /nfs/dbraw/zinc/12/23/20/414122320.db2.gz UKENAQIUNLPISG-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665263266 414220922 /nfs/dbraw/zinc/22/09/22/414220922.db2.gz JJJYEVABUKOLGV-OWCLPIDISA-N 2 0 294.464 2.905 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000665266386 414221694 /nfs/dbraw/zinc/22/16/94/414221694.db2.gz AGDZMGDMCPFFIU-RNCFNFMXSA-N 2 0 269.339 2.545 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)O1 ZINC000665265041 414222126 /nfs/dbraw/zinc/22/21/26/414222126.db2.gz OHFODUSGDHYZIJ-AVRGHOLYSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263153 414223196 /nfs/dbraw/zinc/22/31/96/414223196.db2.gz GUYZGPGQKZSABJ-LEUOFYLZSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1(F)F ZINC000665267312 414224474 /nfs/dbraw/zinc/22/44/74/414224474.db2.gz UKYUGTWYQHMMQA-XJFOESAGSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1(F)F ZINC000665267309 414226241 /nfs/dbraw/zinc/22/62/41/414226241.db2.gz UKYUGTWYQHMMQA-AAVRWANBSA-N 2 0 272.383 2.932 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137535 414226548 /nfs/dbraw/zinc/22/65/48/414226548.db2.gz JTXIZAIOCBUEHZ-IRXDYDNUSA-N 2 0 288.435 2.531 20 0 CFADRP CCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139126 414227133 /nfs/dbraw/zinc/22/71/33/414227133.db2.gz LDGHNGQDGAWHQA-RHSMWYFYSA-N 2 0 276.424 2.531 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1(F)F ZINC000665267310 414228419 /nfs/dbraw/zinc/22/84/19/414228419.db2.gz UKYUGTWYQHMMQA-IGQOVBAYSA-N 2 0 272.383 2.932 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000665274881 414229546 /nfs/dbraw/zinc/22/95/46/414229546.db2.gz ZVWZUOSWOURWPG-MHVQSMCWSA-N 2 0 284.394 2.932 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665272617 414230042 /nfs/dbraw/zinc/23/00/42/414230042.db2.gz IJVSALAUPWQFTA-KZULUSFZSA-N 2 0 296.418 2.769 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665274524 414231096 /nfs/dbraw/zinc/23/10/96/414231096.db2.gz SASNWLLBADTDGD-ZANVPECISA-N 2 0 283.366 2.791 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000665272779 414232379 /nfs/dbraw/zinc/23/23/79/414232379.db2.gz LIZVXCOHOIHPPP-JLJPHGGASA-N 2 0 276.424 2.572 20 0 CFADRP CCC(CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658145681 414232535 /nfs/dbraw/zinc/23/25/35/414232535.db2.gz SMZRXXFPNMQQQL-KRWDZBQOSA-N 2 0 276.424 2.531 20 0 CFADRP C[C@H](CC1CC1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658140318 414234295 /nfs/dbraw/zinc/23/42/95/414234295.db2.gz PWBLXJLDSBRLGU-KDOFPFPSSA-N 2 0 288.435 2.531 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275605 414235296 /nfs/dbraw/zinc/23/52/96/414235296.db2.gz NQWJRJPQFZNRAY-YPMHNXCESA-N 2 0 275.421 2.556 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000658092461 414186900 /nfs/dbraw/zinc/18/69/00/414186900.db2.gz ZXZDJQVUGPPYHZ-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000665230233 414189239 /nfs/dbraw/zinc/18/92/39/414189239.db2.gz LHRVZUSMCKGNGV-IRKLFDGPSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccn1 ZINC000665231899 414189687 /nfs/dbraw/zinc/18/96/87/414189687.db2.gz ALPIREMHMFDKAR-ISTRZQFTSA-N 2 0 267.376 2.920 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1F)C(C)C ZINC000665241247 414201879 /nfs/dbraw/zinc/20/18/79/414201879.db2.gz GFAVBXGTJLTQQH-BBRMVZONSA-N 2 0 282.403 2.866 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000665244203 414202601 /nfs/dbraw/zinc/20/26/01/414202601.db2.gz ILVYBJRFRRLEGV-QRLYYMKJSA-N 2 0 270.420 2.693 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccnc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665239808 414202681 /nfs/dbraw/zinc/20/26/81/414202681.db2.gz ZSDRBALEJMAGNC-AEFFLSMTSA-N 2 0 283.419 2.898 20 0 CFADRP CC[C@H]([NH2+]CC1(C[NH2+][C@@H](CC)C2CC2)COC1)C1CC1 ZINC000661761584 414203720 /nfs/dbraw/zinc/20/37/20/414203720.db2.gz HYPCLULKTPLYEL-HOTGVXAUSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1C ZINC000665245787 414203978 /nfs/dbraw/zinc/20/39/78/414203978.db2.gz REUMCRUSHYLREQ-WMLDXEAASA-N 2 0 260.425 2.824 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000658106861 414206764 /nfs/dbraw/zinc/20/67/64/414206764.db2.gz GDIVXMNTVABCSR-RYQLBKOJSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)(F)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665262220 414218683 /nfs/dbraw/zinc/21/86/83/414218683.db2.gz WHPMRRZNQHWIEP-WMLDXEAASA-N 2 0 292.398 2.970 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC(C)(C)F ZINC000665262233 414218784 /nfs/dbraw/zinc/21/87/84/414218784.db2.gz WTMXIPKCMGZANQ-SNVBAGLBSA-N 2 0 253.365 2.638 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281377 414244774 /nfs/dbraw/zinc/24/47/74/414244774.db2.gz ANOWVIDCBFKWEX-NUEKZKHPSA-N 2 0 264.413 2.726 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279822 414245272 /nfs/dbraw/zinc/24/52/72/414245272.db2.gz NAJWAKMACGCFRI-LPMVOBIJSA-N 2 0 285.435 2.758 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc2c(c1)OCCO2 ZINC000665280579 414245323 /nfs/dbraw/zinc/24/53/23/414245323.db2.gz GSTOJRYPCHQQNQ-HUUCEWRRSA-N 2 0 292.423 2.872 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000665281859 414247598 /nfs/dbraw/zinc/24/75/98/414247598.db2.gz MCIIWQREBLRXRE-GXFFZTMASA-N 2 0 285.819 2.768 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000665282489 414248820 /nfs/dbraw/zinc/24/88/20/414248820.db2.gz ZDEVZZWUKRJGBQ-UKRRQHHQSA-N 2 0 267.392 2.881 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1ccco1 ZINC000665282820 414249568 /nfs/dbraw/zinc/24/95/68/414249568.db2.gz CJHZVOTUOCAPCP-GFCCVEGCSA-N 2 0 273.380 2.725 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000665282121 414249856 /nfs/dbraw/zinc/24/98/56/414249856.db2.gz RDNUWVFNYDZESC-ZJIFWQFVSA-N 2 0 268.445 2.545 20 0 CFADRP CO[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000658170950 414264160 /nfs/dbraw/zinc/26/41/60/414264160.db2.gz WENIFSIYEJGSDB-DZKIICNBSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(c2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000665299516 414271908 /nfs/dbraw/zinc/27/19/08/414271908.db2.gz OLYSLGJZWPCUTR-HDMKZQKVSA-N 2 0 272.436 2.942 20 0 CFADRP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000665300090 414273156 /nfs/dbraw/zinc/27/31/56/414273156.db2.gz YGFGXEHSGFKOKM-DMDPSCGWSA-N 2 0 299.340 2.578 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000665301259 414274780 /nfs/dbraw/zinc/27/47/80/414274780.db2.gz SHSOBFRPRGWSDJ-NXEZZACHSA-N 2 0 252.324 2.695 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H]2CCC[C@H]21 ZINC000658205812 414281088 /nfs/dbraw/zinc/28/10/88/414281088.db2.gz JTAZTHPYKAZWQM-LGNVQCELSA-N 2 0 262.441 2.885 20 0 CFADRP C[C@]1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CC1(F)F ZINC000658219067 414291290 /nfs/dbraw/zinc/29/12/90/414291290.db2.gz HLNYRNIFKHMKPB-AWEZNQCLSA-N 2 0 272.383 2.886 20 0 CFADRP CC[NH+](CC)CCCN1CCC2(CCCC2=O)CC1 ZINC000661957141 414310078 /nfs/dbraw/zinc/31/00/78/414310078.db2.gz DWPMYNCPZVTRSG-UHFFFAOYSA-N 2 0 266.429 2.554 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CC[NH+](C)CC1 ZINC000658281196 414337502 /nfs/dbraw/zinc/33/75/02/414337502.db2.gz NRIZUGSNWOCVDI-JQWIXIFHSA-N 2 0 260.372 2.598 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655683466 414360021 /nfs/dbraw/zinc/36/00/21/414360021.db2.gz SBTYKZFBGXDDOM-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658312717 414366232 /nfs/dbraw/zinc/36/62/32/414366232.db2.gz ALUXFLAFWUDRIQ-CJNGLKHVSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)C[NH+]1CCCC1 ZINC000655694261 414369665 /nfs/dbraw/zinc/36/96/65/414369665.db2.gz FVPWCSGPNMUEHE-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H](OC)C2CCCCC2)CC1 ZINC000658329948 414377721 /nfs/dbraw/zinc/37/77/21/414377721.db2.gz OYQKPTRLLXLWPQ-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655722098 414393206 /nfs/dbraw/zinc/39/32/06/414393206.db2.gz WSUBSNCMRNAWIL-MGPQQGTHSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414782087 287283192 /nfs/dbraw/zinc/28/31/92/287283192.db2.gz WXZPLAVVJXOIMZ-DZUCGIPZSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000655759691 414414757 /nfs/dbraw/zinc/41/47/57/414414757.db2.gz FPZWDAFBLGQQHR-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CS1 ZINC000655760907 414415199 /nfs/dbraw/zinc/41/51/99/414415199.db2.gz AKUTZHMTZMSHTN-TZMCWYRMSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000655788720 414435708 /nfs/dbraw/zinc/43/57/08/414435708.db2.gz NGPZGRCUOKPAHZ-JQFCIGGWSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1 ZINC000662158761 414439046 /nfs/dbraw/zinc/43/90/46/414439046.db2.gz WUMZLYPXABBQBO-SJORKVTESA-N 2 0 282.472 2.732 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000655803864 414448703 /nfs/dbraw/zinc/44/87/03/414448703.db2.gz FSCPRWRFBXTTAG-UHOFOFEASA-N 2 0 296.842 2.957 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000655804928 414449701 /nfs/dbraw/zinc/44/97/01/414449701.db2.gz GLKNPHILTGGBOF-BVUBDWEXSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803931 414449851 /nfs/dbraw/zinc/44/98/51/414449851.db2.gz IPQRUDOKLZXFMP-OIISXLGYSA-N 2 0 275.440 2.723 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805783 414450867 /nfs/dbraw/zinc/45/08/67/414450867.db2.gz LIQIWAMGCMTNQO-MCIONIFRSA-N 2 0 266.454 2.999 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805157 414450885 /nfs/dbraw/zinc/45/08/85/414450885.db2.gz JQLYCBOOFLWYEQ-LJISPDSOSA-N 2 0 268.445 2.508 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000655806413 414451257 /nfs/dbraw/zinc/45/12/57/414451257.db2.gz UUOVGBFMVGFJAT-HACGYAERSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806075 414451261 /nfs/dbraw/zinc/45/12/61/414451261.db2.gz YQATXFZEHXVFNA-AEGPPILISA-N 2 0 266.454 2.999 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805756 414451311 /nfs/dbraw/zinc/45/13/11/414451311.db2.gz RYANPMLOLYASNS-GARJFASQSA-N 2 0 252.324 2.647 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000655807955 414452610 /nfs/dbraw/zinc/45/26/10/414452610.db2.gz XSSRTFRPCZISTO-SLEUVZQESA-N 2 0 250.361 2.817 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000662215722 414460359 /nfs/dbraw/zinc/46/03/59/414460359.db2.gz IACKAOZQEXIEPE-UHFFFAOYSA-N 2 0 269.392 2.526 20 0 CFADRP CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825877 414462717 /nfs/dbraw/zinc/46/27/17/414462717.db2.gz NRRAJGCGKWUMJX-OTVXOJSOSA-N 2 0 262.397 2.515 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655826563 414462731 /nfs/dbraw/zinc/46/27/31/414462731.db2.gz IRORLRZRRGCRCN-PHIMTYICSA-N 2 0 270.467 2.900 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1F ZINC000662227637 414464049 /nfs/dbraw/zinc/46/40/49/414464049.db2.gz UPOGMIBNXNIWEA-INIZCTEOSA-N 2 0 292.398 2.971 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000655827617 414464026 /nfs/dbraw/zinc/46/40/26/414464026.db2.gz VFHLYOXVPLAXPZ-OKILXGFUSA-N 2 0 298.377 2.760 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)C1 ZINC000655827308 414464471 /nfs/dbraw/zinc/46/44/71/414464471.db2.gz QZPMPAJLGQXIEG-TXEJJXNPSA-N 2 0 281.469 2.870 20 0 CFADRP C[N@H+](C[C@@H]1CCc2ccccc21)CC1CC[NH2+]CC1 ZINC000662229015 414465393 /nfs/dbraw/zinc/46/53/93/414465393.db2.gz FDXBTFDIPPDWPF-INIZCTEOSA-N 2 0 258.409 2.648 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1C ZINC000658353451 414397718 /nfs/dbraw/zinc/39/77/18/414397718.db2.gz MXXUHFVKCADBNO-AWEZNQCLSA-N 2 0 276.424 2.824 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000658352561 414398413 /nfs/dbraw/zinc/39/84/13/414398413.db2.gz IHPZGAGALAIVKJ-IUODEOHRSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccnc1 ZINC000658355806 414401454 /nfs/dbraw/zinc/40/14/54/414401454.db2.gz KTKGCZWNMMDLLX-AWEZNQCLSA-N 2 0 273.424 2.854 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCSc2cccc(Cl)c2)C1 ZINC000662246040 414474798 /nfs/dbraw/zinc/47/47/98/414474798.db2.gz XQJDZRUANUAEOX-LLVKDONJSA-N 2 0 270.829 2.713 20 0 CFADRP COC1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848481 414476076 /nfs/dbraw/zinc/47/60/76/414476076.db2.gz FRACALPQYXEJOT-SSHXOBKSSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250850 414476343 /nfs/dbraw/zinc/47/63/43/414476343.db2.gz PPVFGHZWSJAPBF-OAHLLOKOSA-N 2 0 294.826 2.683 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000655848824 414477095 /nfs/dbraw/zinc/47/70/95/414477095.db2.gz LVVDWJJJFVLGEK-DJIMGWMZSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255771 414478531 /nfs/dbraw/zinc/47/85/31/414478531.db2.gz RIGMENKPHPKGAG-DLBZAZTESA-N 2 0 288.435 2.837 20 0 CFADRP Cc1ccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C(C)C)s1 ZINC000662254428 414478634 /nfs/dbraw/zinc/47/86/34/414478634.db2.gz QOVLHIXQFAQVBR-CQSZACIVSA-N 2 0 294.464 2.788 20 0 CFADRP COCC[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000662255714 414479229 /nfs/dbraw/zinc/47/92/29/414479229.db2.gz CQCXAILVZMUYBT-UHFFFAOYSA-N 2 0 288.435 2.723 20 0 CFADRP C([C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662254190 414479512 /nfs/dbraw/zinc/47/95/12/414479512.db2.gz NLGFDOBJOIRGTB-SJORKVTESA-N 2 0 292.467 2.942 20 0 CFADRP CO[C@H](C)C[N@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000662256774 414479729 /nfs/dbraw/zinc/47/97/29/414479729.db2.gz NZLMJPDTUDFHQF-CQSZACIVSA-N 2 0 276.424 2.578 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000662256338 414480144 /nfs/dbraw/zinc/48/01/44/414480144.db2.gz VATPNVUZSQEWOJ-OAHLLOKOSA-N 2 0 278.440 2.554 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259330 414481406 /nfs/dbraw/zinc/48/14/06/414481406.db2.gz VDFHREGRUZMWDJ-RRFJBIMHSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662264216 414481519 /nfs/dbraw/zinc/48/15/19/414481519.db2.gz CIIOBIFVIXZIOK-NWDGAFQWSA-N 2 0 275.421 2.508 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1nsc2ccccc21 ZINC000662266438 414483199 /nfs/dbraw/zinc/48/31/99/414483199.db2.gz ZCDSTHHMOBZGJZ-RYUDHWBXSA-N 2 0 275.421 2.508 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1nsc2ccccc21 ZINC000662266439 414483366 /nfs/dbraw/zinc/48/33/66/414483366.db2.gz ZCDSTHHMOBZGJZ-VXGBXAGGSA-N 2 0 275.421 2.508 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662267895 414484732 /nfs/dbraw/zinc/48/47/32/414484732.db2.gz ZUPFJEICUBEOPB-SJLPKXTDSA-N 2 0 270.420 2.792 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272273 414488271 /nfs/dbraw/zinc/48/82/71/414488271.db2.gz DLYKTNZMCVWHFN-OVYGPGRDSA-N 2 0 262.441 2.744 20 0 CFADRP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662273458 414489165 /nfs/dbraw/zinc/48/91/65/414489165.db2.gz MSMCRSJRGWBXRE-BPKGMFCQSA-N 2 0 262.441 2.744 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000662272544 414489333 /nfs/dbraw/zinc/48/93/33/414489333.db2.gz FYCKIUJIVOHFLL-HZPDHXFCSA-N 2 0 294.483 2.890 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274035 414489912 /nfs/dbraw/zinc/48/99/12/414489912.db2.gz SLDXYMNPMGVDCY-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2cc(F)ccc2OC(F)F)C1 ZINC000662274059 414490380 /nfs/dbraw/zinc/49/03/80/414490380.db2.gz SYBXJKASKALPMN-CQSZACIVSA-N 2 0 288.313 2.598 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCC2CCC2)CC1 ZINC000662280954 414492413 /nfs/dbraw/zinc/49/24/13/414492413.db2.gz IRGIOPWYNRFOFT-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCC3CCC3)CC2)C1 ZINC000662281851 414494740 /nfs/dbraw/zinc/49/47/40/414494740.db2.gz QCLMLZZIWMJFON-IRXDYDNUSA-N 2 0 280.456 2.785 20 0 CFADRP COC[C@H]1CCCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662282347 414494755 /nfs/dbraw/zinc/49/47/55/414494755.db2.gz OUDYIWHHASGHDO-HNNXBMFYSA-N 2 0 288.435 2.581 20 0 CFADRP CC(C)(CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CC1 ZINC000655940950 414495013 /nfs/dbraw/zinc/49/50/13/414495013.db2.gz IMHNEBBXMQZEOM-CVEARBPZSA-N 2 0 280.456 2.641 20 0 CFADRP C(C1CCCC1)[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284650 414495226 /nfs/dbraw/zinc/49/52/26/414495226.db2.gz OGBPISQCAOEVEO-HZPDHXFCSA-N 2 0 278.440 2.552 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCc1noc3ccccc31)CC[NH2+]CC2 ZINC000655939162 414496114 /nfs/dbraw/zinc/49/61/14/414496114.db2.gz COJHNIGTIFCTEP-CQSZACIVSA-N 2 0 299.418 2.834 20 0 CFADRP CC[C@H](C)[N@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000662290282 414496917 /nfs/dbraw/zinc/49/69/17/414496917.db2.gz OPKPPCOMWDITSV-ZFWWWQNUSA-N 2 0 264.413 2.858 20 0 CFADRP C(C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662287425 414497803 /nfs/dbraw/zinc/49/78/03/414497803.db2.gz ZUBVEAVNZUQDOI-DLBZAZTESA-N 2 0 292.467 2.942 20 0 CFADRP c1ccc(CC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290601 414497983 /nfs/dbraw/zinc/49/79/83/414497983.db2.gz ZBSZNSRYMRAGBF-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000662311357 414503922 /nfs/dbraw/zinc/50/39/22/414503922.db2.gz RXWOFJQZWXJBJS-MAUKXSAKSA-N 2 0 288.435 2.658 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)[C@@H]1CCC[NH3+] ZINC000662313228 414504245 /nfs/dbraw/zinc/50/42/45/414504245.db2.gz HFYHHMHMUPCEMO-CHWSQXEVSA-N 2 0 294.443 2.707 20 0 CFADRP C(C1CCC1)[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662318531 414504700 /nfs/dbraw/zinc/50/47/00/414504700.db2.gz BBOKZEXIYJDQDX-HZPDHXFCSA-N 2 0 278.440 2.552 20 0 CFADRP c1cc(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)no1 ZINC000662317285 414504718 /nfs/dbraw/zinc/50/47/18/414504718.db2.gz OFVKFTBHGROTAS-UHFFFAOYSA-N 2 0 297.402 2.700 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319172 414506042 /nfs/dbraw/zinc/50/60/42/414506042.db2.gz GBOIHLSLKKDSRS-KRWDZBQOSA-N 2 0 290.451 2.846 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324559 414507228 /nfs/dbraw/zinc/50/72/28/414507228.db2.gz XYZKAZMPVQCOSP-HOTGVXAUSA-N 2 0 270.461 2.711 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCCC(C)(C)C)CCO1 ZINC000662323582 414507240 /nfs/dbraw/zinc/50/72/40/414507240.db2.gz OARBLTLLIHAZSH-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325591 414507387 /nfs/dbraw/zinc/50/73/87/414507387.db2.gz MRHKWFPMIDQTBR-SFHVURJKSA-N 2 0 290.451 2.580 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322128 414507764 /nfs/dbraw/zinc/50/77/64/414507764.db2.gz UKJRQHWMVGNWME-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC000662325089 414508268 /nfs/dbraw/zinc/50/82/68/414508268.db2.gz HVDNFQPQCDXTCF-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000656193271 414530269 /nfs/dbraw/zinc/53/02/69/414530269.db2.gz CSBNQZVIUPGCGC-XHSDSOJGSA-N 2 0 275.440 2.913 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197737 414532293 /nfs/dbraw/zinc/53/22/93/414532293.db2.gz GARQHLXTTPCKHK-GJZGRUSLSA-N 2 0 276.424 2.832 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000656198122 414532313 /nfs/dbraw/zinc/53/23/13/414532313.db2.gz VQDVIRXUNIWLGD-YWPYICTPSA-N 2 0 282.815 2.887 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000656197446 414532812 /nfs/dbraw/zinc/53/28/12/414532812.db2.gz JKPUPCOFPWJCCD-QWHCGFSZSA-N 2 0 282.815 2.751 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[C@H]1CCCCO1 ZINC000656202192 414535586 /nfs/dbraw/zinc/53/55/86/414535586.db2.gz ZVZKFSSLIXSMFL-XOKHGSTOSA-N 2 0 291.439 2.847 20 0 CFADRP CCc1cc(N2CC[NH+](C(C)(C)CC)CC2)cc[nH+]1 ZINC000656214743 414539495 /nfs/dbraw/zinc/53/94/95/414539495.db2.gz BEDVKFCKLMGHDX-UHFFFAOYSA-N 2 0 261.413 2.955 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659850815 414587147 /nfs/dbraw/zinc/58/71/47/414587147.db2.gz BPYSSEFNOXTBSN-UHFFFAOYSA-N 2 0 298.434 2.794 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(C)(C)C ZINC000659861613 414594068 /nfs/dbraw/zinc/59/40/68/414594068.db2.gz YDMGMPZYFIOINV-LSDHHAIUSA-N 2 0 270.461 2.588 20 0 CFADRP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CCC1 ZINC000659861567 414594174 /nfs/dbraw/zinc/59/41/74/414594174.db2.gz XAXDUADFRSXWOM-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000659947187 414627559 /nfs/dbraw/zinc/62/75/59/414627559.db2.gz JUWXCDMZCJVIIG-WBVHZDCISA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000659909607 414612457 /nfs/dbraw/zinc/61/24/57/414612457.db2.gz OPYUXQNMXFMBFO-KSZLIROESA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H]2CCCC[C@H]2O)C1 ZINC000659926601 414616578 /nfs/dbraw/zinc/61/65/78/414616578.db2.gz BGGWVRDEZQIYPO-BRSBDYLESA-N 2 0 294.483 2.876 20 0 CFADRP CCc1ccc([C@H]2CCCN2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000659938381 414624318 /nfs/dbraw/zinc/62/43/18/414624318.db2.gz KYMLYLSOEFVUIH-GDBMZVCRSA-N 2 0 294.439 2.680 20 0 CFADRP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc2c1CCC2 ZINC000656411977 414569446 /nfs/dbraw/zinc/56/94/46/414569446.db2.gz LZQXHKXDXUEHPT-UHFFFAOYSA-N 2 0 299.462 2.878 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C3CCCC3)CC2)C1 ZINC000659836656 414577268 /nfs/dbraw/zinc/57/72/68/414577268.db2.gz SWKGQWODBMEOTD-IRXDYDNUSA-N 2 0 293.499 2.525 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(OC)no2)CC1 ZINC000659847315 414583816 /nfs/dbraw/zinc/58/38/16/414583816.db2.gz MMNSGOGCGMAMEC-UHFFFAOYSA-N 2 0 295.427 2.627 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422700709 287287251 /nfs/dbraw/zinc/28/72/51/287287251.db2.gz HJHIWKXQUAWAKA-OVYGPGRDSA-N 2 0 280.456 2.559 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000038041655 174042960 /nfs/dbraw/zinc/04/29/60/174042960.db2.gz LALYGIZIOXXCLX-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000660010144 414649782 /nfs/dbraw/zinc/64/97/82/414649782.db2.gz GIIYSPNILVAZCW-BRWVUGGUSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000656696104 414641237 /nfs/dbraw/zinc/64/12/37/414641237.db2.gz XESFZUJTHJKYRK-VQHPVUNQSA-N 2 0 282.472 2.588 20 0 CFADRP CO[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)C1CCCC1 ZINC000660063496 414656492 /nfs/dbraw/zinc/65/64/92/414656492.db2.gz CXIBUTPKZQLTKI-INIZCTEOSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040621089 174354965 /nfs/dbraw/zinc/35/49/65/174354965.db2.gz VJMSJSPEHNQFNJ-CYBMUJFWSA-N 2 0 252.427 2.876 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000040620786 174355076 /nfs/dbraw/zinc/35/50/76/174355076.db2.gz SEMYKKBTQONYKP-CQSZACIVSA-N 2 0 250.361 2.646 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000040746595 174392086 /nfs/dbraw/zinc/39/20/86/174392086.db2.gz WURGKSJHOLOIJT-FUNVUKJBSA-N 2 0 250.411 2.771 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000663343906 414676229 /nfs/dbraw/zinc/67/62/29/414676229.db2.gz JOXBYCXGONLEOX-BMFZPTHFSA-N 2 0 282.497 2.982 20 0 CFADRP COC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCCC1 ZINC000663345232 414677685 /nfs/dbraw/zinc/67/76/85/414677685.db2.gz HFFCDJNWTHICAP-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP c1csc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347691 414677739 /nfs/dbraw/zinc/67/77/39/414677739.db2.gz SLBJHZITQASVAS-CQSZACIVSA-N 2 0 264.438 2.960 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000044494588 175182276 /nfs/dbraw/zinc/18/22/76/175182276.db2.gz JRGBLLIGVNCRRV-UONOGXRCSA-N 2 0 266.433 2.581 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511758 175188028 /nfs/dbraw/zinc/18/80/28/175188028.db2.gz NNMJHHAVQICNGQ-OAHLLOKOSA-N 2 0 250.361 2.948 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C[NH3+])CC1 ZINC000044512048 175188421 /nfs/dbraw/zinc/18/84/21/175188421.db2.gz JPMUPPLHVRYHHM-SNVBAGLBSA-N 2 0 254.324 2.697 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044515691 175189879 /nfs/dbraw/zinc/18/98/79/175189879.db2.gz LZTQXSUMKABMGY-CYBMUJFWSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000044532866 175196290 /nfs/dbraw/zinc/19/62/90/175196290.db2.gz BJUSWVFFGNTBBK-KBPBESRZSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044534083 175197437 /nfs/dbraw/zinc/19/74/37/175197437.db2.gz NQWVBYWKJYWUKA-ZIAGYGMSSA-N 2 0 250.386 2.532 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000044534169 175197452 /nfs/dbraw/zinc/19/74/52/175197452.db2.gz HULYHLOLIOGDCI-QWHCGFSZSA-N 2 0 280.387 2.827 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000044534161 175198002 /nfs/dbraw/zinc/19/80/02/175198002.db2.gz QSJZVIIFLAYNSK-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422717156 287302223 /nfs/dbraw/zinc/30/22/23/287302223.db2.gz VPYUTVKHQNMMIB-LMPOIIKSSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366486756 287308193 /nfs/dbraw/zinc/30/81/93/287308193.db2.gz FIZMCJIJNHBEID-PMPSAXMXSA-N 2 0 250.430 2.840 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000070188868 175880970 /nfs/dbraw/zinc/88/09/70/175880970.db2.gz WSHCZFPHOBVLSR-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000447313661 287354541 /nfs/dbraw/zinc/35/45/41/287354541.db2.gz KODOQTBJQYVTOG-KFESYUHLSA-N 2 0 282.472 2.588 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000234794834 522667393 /nfs/dbraw/zinc/66/73/93/522667393.db2.gz QMUZZJUGXUUCJM-ZDUSSCGKSA-N 2 0 290.329 2.549 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000234700799 522667432 /nfs/dbraw/zinc/66/74/32/522667432.db2.gz FGYYDRGKWMLQEB-KKUMJFAQSA-N 2 0 270.461 2.935 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024055 287620162 /nfs/dbraw/zinc/62/01/62/287620162.db2.gz UYZFVOARBPVJCZ-DGCLKSJQSA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400968407 420503012 /nfs/dbraw/zinc/50/30/12/420503012.db2.gz OBFZUKBSFCOPNF-YNEHKIRRSA-N 2 0 250.411 2.534 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400919134 420503526 /nfs/dbraw/zinc/50/35/26/420503526.db2.gz DYAXLEBYWQTVRX-NUEKZKHPSA-N 2 0 283.419 2.688 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000400971105 420503725 /nfs/dbraw/zinc/50/37/25/420503725.db2.gz JMFYDIDWQCIHQE-VNHYZAJKSA-N 2 0 264.800 2.818 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000400987778 420502948 /nfs/dbraw/zinc/50/29/48/420502948.db2.gz XBRHNWAMOAMBJI-RBSFLKMASA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397487234 270318724 /nfs/dbraw/zinc/31/87/24/270318724.db2.gz WDYBBLSRUQGDKI-IPYPFGDCSA-N 2 0 264.388 2.939 20 0 CFADRP CC1(C[NH2+]Cc2ccsc2Cl)CC[NH2+]CC1 ZINC000312744353 260195918 /nfs/dbraw/zinc/19/59/18/260195918.db2.gz LRARJMCQLQBVKW-UHFFFAOYSA-N 2 0 258.818 2.881 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)([NH+](C)C)C1 ZINC000222569783 260226061 /nfs/dbraw/zinc/22/60/61/260226061.db2.gz ODHAJKPVMOEKKK-TWMKSMIVSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@H+](CCOC1CCCCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000525518070 260230483 /nfs/dbraw/zinc/23/04/83/260230483.db2.gz VQFAOVCULRLBAB-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CC[C@H](c1ccc(Cl)cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313348273 260286811 /nfs/dbraw/zinc/28/68/11/260286811.db2.gz IMWBNNZSMSRAQE-LSDHHAIUSA-N 2 0 282.815 2.841 20 0 CFADRP CC(C)(C)c1ccc(CN2CCCO[C@@H](C[NH3+])C2)s1 ZINC000313361135 260287489 /nfs/dbraw/zinc/28/74/89/260287489.db2.gz XCBOHURHFDMTSA-LBPRGKRZSA-N 2 0 282.453 2.595 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121060705 260707318 /nfs/dbraw/zinc/70/73/18/260707318.db2.gz KTCWCLNUWYGWMM-SJORKVTESA-N 2 0 289.467 2.529 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1cccc(Br)c1 ZINC000313698071 261367694 /nfs/dbraw/zinc/36/76/94/261367694.db2.gz LAHNCYHDDGVSOJ-LLVKDONJSA-N 2 0 285.229 2.709 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)CN1C1CC1 ZINC000390566200 262218850 /nfs/dbraw/zinc/21/88/50/262218850.db2.gz BMZZDJWWEVDEQU-UTUOFQBUSA-N 2 0 258.356 2.637 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000390579290 262222306 /nfs/dbraw/zinc/22/23/06/262222306.db2.gz HOVCRJRMXBFYFJ-SJORKVTESA-N 2 0 276.424 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N(C)Cc1ccccc1 ZINC000390623852 262230487 /nfs/dbraw/zinc/23/04/87/262230487.db2.gz GPBCCQLUIQSAJG-HZPDHXFCSA-N 2 0 277.456 2.614 20 0 CFADRP CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390855892 262354517 /nfs/dbraw/zinc/35/45/17/262354517.db2.gz LHLJUNWQPMAZED-HQSKLWIPSA-N 2 0 288.435 2.543 20 0 CFADRP CC[C@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000319902547 262377819 /nfs/dbraw/zinc/37/78/19/262377819.db2.gz QENCCJNRPOVNCY-OAHLLOKOSA-N 2 0 256.434 2.654 20 0 CFADRP CC[C@@](C)(C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000319902546 262378280 /nfs/dbraw/zinc/37/82/80/262378280.db2.gz QENCCJNRPOVNCY-HNNXBMFYSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1cnc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000335462216 265156493 /nfs/dbraw/zinc/15/64/93/265156493.db2.gz LORXDYIDJWXWLX-WMZOPIPTSA-N 2 0 287.451 2.657 20 0 CFADRP CC[NH2+]CCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000518959767 265250363 /nfs/dbraw/zinc/25/03/63/265250363.db2.gz JRMPLYFBEISJAR-UHFFFAOYSA-N 2 0 297.393 2.523 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000519155787 265334990 /nfs/dbraw/zinc/33/49/90/265334990.db2.gz REEIUHKQWZEUBA-DLBZAZTESA-N 2 0 288.435 2.777 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000192837678 270234323 /nfs/dbraw/zinc/23/43/23/270234323.db2.gz LFQAKKJNYAKNQW-QZTJIDSGSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000192837665 270234616 /nfs/dbraw/zinc/23/46/16/270234616.db2.gz LFQAKKJNYAKNQW-ROUUACIJSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000258783688 270274397 /nfs/dbraw/zinc/27/43/97/270274397.db2.gz BNRQMIIEWNUEEK-KBPBESRZSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000258937321 270274447 /nfs/dbraw/zinc/27/44/47/270274447.db2.gz JUVZSYLQZSRDDE-IAGOWNOFSA-N 2 0 254.377 2.852 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)ccc1F ZINC000258888633 270274761 /nfs/dbraw/zinc/27/47/61/270274761.db2.gz CJCJCQLYXARGSK-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000314888672 270291500 /nfs/dbraw/zinc/29/15/00/270291500.db2.gz BXCGJXLUIAXDEW-YYWYGQEZSA-N 2 0 294.483 2.686 20 0 CFADRP CSCC1CCC([NH2+]CC2=CC[N@H+](C)CC2)CC1 ZINC000392276212 270306706 /nfs/dbraw/zinc/30/67/06/270306706.db2.gz GYHGERDBPOGNNZ-UHFFFAOYSA-N 2 0 268.470 2.760 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000393590572 270308438 /nfs/dbraw/zinc/30/84/38/270308438.db2.gz IDPJQTZILOEKGU-RBSFLKMASA-N 2 0 282.472 2.684 20 0 CFADRP COCc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397408961 270318081 /nfs/dbraw/zinc/31/80/81/270318081.db2.gz NPKZGYKFLRNFNU-ZQIUZPCESA-N 2 0 276.424 2.638 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000397404351 270318154 /nfs/dbraw/zinc/31/81/54/270318154.db2.gz LDTDHBQBMVNIQJ-DZKIICNBSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccccc2)C[C@H]1C[NH3+] ZINC000397375305 270318256 /nfs/dbraw/zinc/31/82/56/270318256.db2.gz IMBOXOUKVPCYAK-BFYDXBDKSA-N 2 0 260.425 2.924 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1C ZINC000397426398 270318295 /nfs/dbraw/zinc/31/82/95/270318295.db2.gz XUOZHAFVWMGNLA-BJJXKVORSA-N 2 0 276.424 2.809 20 0 CFADRP COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397478138 270318636 /nfs/dbraw/zinc/31/86/36/270318636.db2.gz JESSQQUOPUFAQX-YDHLFZDLSA-N 2 0 262.397 2.500 20 0 CFADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423012142 270332689 /nfs/dbraw/zinc/33/26/89/270332689.db2.gz KAEZENGSUGCAJX-YESZJQIVSA-N 2 0 273.424 2.790 20 0 CFADRP c1ccc(NCCCC[NH2+]Cc2cnc(C3CC3)nc2)nc1 ZINC000459397369 270337263 /nfs/dbraw/zinc/33/72/63/270337263.db2.gz DFKPURICYPEABM-UHFFFAOYSA-N 2 0 297.406 2.731 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000514787672 270353957 /nfs/dbraw/zinc/35/39/57/270353957.db2.gz BCDPWGUOQGUOJE-CZUORRHYSA-N 2 0 274.408 2.804 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000514790535 270354355 /nfs/dbraw/zinc/35/43/55/270354355.db2.gz ZCDMVCUVRQPWPN-UHFFFAOYSA-N 2 0 295.430 2.904 20 0 CFADRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C(C)(C)C ZINC000515368490 270370392 /nfs/dbraw/zinc/37/03/92/270370392.db2.gz MMLZCXQGIQZCRW-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1cnccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000516537906 270383191 /nfs/dbraw/zinc/38/31/91/270383191.db2.gz KIQQWSYXMMVANT-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000516927806 270391608 /nfs/dbraw/zinc/39/16/08/270391608.db2.gz FBWKDDGIHQGUGP-CQSZACIVSA-N 2 0 297.402 2.652 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000516937980 270392112 /nfs/dbraw/zinc/39/21/12/270392112.db2.gz QYVMMVGJXGIUJC-CUSZFKRNSA-N 2 0 289.467 2.846 20 0 CFADRP Cc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(C)s1 ZINC000517712924 270408958 /nfs/dbraw/zinc/40/89/58/270408958.db2.gz VAQWZOQYMNDCHJ-UHFFFAOYSA-N 2 0 252.427 2.844 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000521858931 270435988 /nfs/dbraw/zinc/43/59/88/270435988.db2.gz CDGVHEJOCDBHBA-ZWKOTPCHSA-N 2 0 272.436 2.987 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218355 270772821 /nfs/dbraw/zinc/77/28/21/270772821.db2.gz VYEPMIXUKNVWNF-PVAVHDDUSA-N 2 0 285.435 2.982 20 0 CFADRP Fc1cccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530223043 270775425 /nfs/dbraw/zinc/77/54/25/270775425.db2.gz LQFKSHNFMOMPNA-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCOCC1 ZINC000530477089 270795623 /nfs/dbraw/zinc/79/56/23/270795623.db2.gz ILBXKLHFIHNILF-OFLPRAFFSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414863179 273960489 /nfs/dbraw/zinc/96/04/89/273960489.db2.gz XAFQLRFQOHLVCW-GFCCVEGCSA-N 2 0 297.830 2.565 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178241981 287647845 /nfs/dbraw/zinc/64/78/45/287647845.db2.gz HXRQJUXOMGPHLB-LSDHHAIUSA-N 2 0 281.488 2.569 20 0 CFADRP CCc1cc(N2CC([NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000302127573 273767800 /nfs/dbraw/zinc/76/78/00/273767800.db2.gz IWNVNIOYLPUDLI-UHFFFAOYSA-N 2 0 255.365 2.547 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000271917330 274132028 /nfs/dbraw/zinc/13/20/28/274132028.db2.gz ZFSHMWSVRKXGGS-SFHVURJKSA-N 2 0 286.419 2.924 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCS2 ZINC000423243009 274135683 /nfs/dbraw/zinc/13/56/83/274135683.db2.gz GAXCRMBKJCPODZ-IUODEOHRSA-N 2 0 292.448 2.821 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000130165371 274138035 /nfs/dbraw/zinc/13/80/35/274138035.db2.gz XJGCJJZEIBSJBJ-IIDMSEBBSA-N 2 0 286.419 2.899 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C2 ZINC000425915319 274152226 /nfs/dbraw/zinc/15/22/26/274152226.db2.gz JOBMQHNOHJQIHA-MRXNPFEDSA-N 2 0 290.451 2.872 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C2 ZINC000414823690 274153639 /nfs/dbraw/zinc/15/36/39/274153639.db2.gz PESLEJLSPOUVCF-BMFZPTHFSA-N 2 0 288.435 2.530 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423308829 274213979 /nfs/dbraw/zinc/21/39/79/274213979.db2.gz OXAXAGOELPFHRG-LBPRGKRZSA-N 2 0 252.361 2.941 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000422966931 274238280 /nfs/dbraw/zinc/23/82/80/274238280.db2.gz AWPSPSCVBAHBKF-SPYBWZPUSA-N 2 0 298.430 2.871 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000338775923 274283215 /nfs/dbraw/zinc/28/32/15/274283215.db2.gz RVPUJPNOLFHRBU-IXYNUQLISA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423413035 274339847 /nfs/dbraw/zinc/33/98/47/274339847.db2.gz JHXJKNRVHQJLNW-QWQRMKEZSA-N 2 0 287.451 2.863 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3cc(N)ccc32)CC[NH2+]1 ZINC000332374725 274385947 /nfs/dbraw/zinc/38/59/47/274385947.db2.gz RJOHLJKQKMESLE-IGCXYCKISA-N 2 0 273.424 2.624 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCSc3ccccc32)CC[NH2+]C1 ZINC000334658737 274451110 /nfs/dbraw/zinc/45/11/10/274451110.db2.gz LCNHOQGZZFLAEM-DZGCQCFKSA-N 2 0 262.422 2.813 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[C@H](C)[NH3+])CC3 ZINC000414828423 274765866 /nfs/dbraw/zinc/76/58/66/274765866.db2.gz ZPBNSFAIJOXTBW-STQMWFEESA-N 2 0 271.408 2.661 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(C)(C)[NH3+])CC3 ZINC000335178599 274767217 /nfs/dbraw/zinc/76/72/17/274767217.db2.gz MFKLIZJKNKJCOA-GFCCVEGCSA-N 2 0 271.408 2.661 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537413 274798154 /nfs/dbraw/zinc/79/81/54/274798154.db2.gz CWTLBFBDOSLLRW-FSZRXZPDSA-N 2 0 270.420 2.960 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423480976 274849604 /nfs/dbraw/zinc/84/96/04/274849604.db2.gz WKRSXTIQZBVVIJ-FRRDWIJNSA-N 2 0 279.453 2.936 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129238248 274907365 /nfs/dbraw/zinc/90/73/65/274907365.db2.gz MFHBERGXKGRSCS-LBPRGKRZSA-N 2 0 272.314 2.937 20 0 CFADRP Fc1ccccc1C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423332371 274915506 /nfs/dbraw/zinc/91/55/06/274915506.db2.gz VBJZOHCBPWICGR-GOSISDBHSA-N 2 0 284.378 2.919 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000423177982 274945440 /nfs/dbraw/zinc/94/54/40/274945440.db2.gz BKLJABHEICYPRJ-INIZCTEOSA-N 2 0 274.408 2.718 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000422993201 274949223 /nfs/dbraw/zinc/94/92/23/274949223.db2.gz RAYQHHPUQGNJNA-RCBQFDQVSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000089150612 274952647 /nfs/dbraw/zinc/95/26/47/274952647.db2.gz ONTCLMDSKFBTDL-MFKMUULPSA-N 2 0 272.314 2.922 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422838636 274955310 /nfs/dbraw/zinc/95/53/10/274955310.db2.gz XWEUJNWNKYPGRE-NXHRZFHOSA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414991903 274957746 /nfs/dbraw/zinc/95/77/46/274957746.db2.gz BHFHDFSWWXIZOO-XZJROXQQSA-N 2 0 278.827 2.914 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000423434972 275061232 /nfs/dbraw/zinc/06/12/32/275061232.db2.gz KXRSJXYXPRJZJU-RCCFBDPRSA-N 2 0 286.419 2.747 20 0 CFADRP C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)OC1CCCCCC1 ZINC000420363350 275392154 /nfs/dbraw/zinc/39/21/54/275392154.db2.gz HVQXTVLONIGCGC-QGZVFWFLSA-N 2 0 280.456 2.801 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCOCC1 ZINC000432781285 275393397 /nfs/dbraw/zinc/39/33/97/275393397.db2.gz QPAUYJHFRHGDPZ-AEFFLSMTSA-N 2 0 292.467 2.752 20 0 CFADRP C([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000423307665 275395095 /nfs/dbraw/zinc/39/50/95/275395095.db2.gz WGYMUNNGVDMECD-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC2(CCC2)C1 ZINC000449472855 275395310 /nfs/dbraw/zinc/39/53/10/275395310.db2.gz AUZYZWPVHGLDBH-BZUAXINKSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422722116 275561251 /nfs/dbraw/zinc/56/12/51/275561251.db2.gz OVKLBDNVOIWTID-KBPBESRZSA-N 2 0 291.439 2.887 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423146545 275688906 /nfs/dbraw/zinc/68/89/06/275688906.db2.gz AWGNMTXHDVKYST-RFBLXINOSA-N 2 0 250.430 2.789 20 0 CFADRP CC/C=C/C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158047 275801466 /nfs/dbraw/zinc/80/14/66/275801466.db2.gz NRZGJAZDJNSXFA-LBGCYQIYSA-N 2 0 272.392 2.798 20 0 CFADRP CC1(C)Cc2occc2[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 ZINC000423240660 275874544 /nfs/dbraw/zinc/87/45/44/275874544.db2.gz CNWBCRGVHATFJE-JSGCOSHPSA-N 2 0 262.397 2.882 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000423172751 275885232 /nfs/dbraw/zinc/88/52/32/275885232.db2.gz VAVOOXIPTLPOOT-FZKCQIBNSA-N 2 0 258.409 2.896 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000421366199 276001573 /nfs/dbraw/zinc/00/15/73/276001573.db2.gz BXSHNMBOKQNIKH-SHWKFHJASA-N 2 0 270.486 2.979 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422922274 276007048 /nfs/dbraw/zinc/00/70/48/276007048.db2.gz SMBMXXAUSZJZCT-ILOCAZANSA-N 2 0 294.483 2.948 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000337997085 276014013 /nfs/dbraw/zinc/01/40/13/276014013.db2.gz JUSYXTJWJUSYOG-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000378456564 276023991 /nfs/dbraw/zinc/02/39/91/276023991.db2.gz OVYGLWCZQVNSQY-KRWDZBQOSA-N 2 0 294.483 2.780 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000349715064 276100114 /nfs/dbraw/zinc/10/01/14/276100114.db2.gz CPGVCNRKJGRCBK-SFHVURJKSA-N 2 0 290.451 2.930 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000344844532 276109258 /nfs/dbraw/zinc/10/92/58/276109258.db2.gz RVPXSEQMFQJCOM-IAGOWNOFSA-N 2 0 280.456 2.823 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(SC)CCC2)C1 ZINC000356118867 276109505 /nfs/dbraw/zinc/10/95/05/276109505.db2.gz YOOXCZIHCFPIFW-CQSZACIVSA-N 2 0 270.486 2.936 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422958461 276144569 /nfs/dbraw/zinc/14/45/69/276144569.db2.gz XXBJUXLDCJYHQB-SIIHOXLZSA-N 2 0 286.419 2.878 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000121824095 276148862 /nfs/dbraw/zinc/14/88/62/276148862.db2.gz IHPFKPCKNBDQQK-INIZCTEOSA-N 2 0 290.455 2.509 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCCO[C@@H]21 ZINC000423415875 276163437 /nfs/dbraw/zinc/16/34/37/276163437.db2.gz BMGIRLNFLWHGSF-QCODTGAPSA-N 2 0 280.456 2.545 20 0 CFADRP CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000432821266 276167407 /nfs/dbraw/zinc/16/74/07/276167407.db2.gz WLMSSDHRSWSDQK-HNNXBMFYSA-N 2 0 250.430 2.984 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000248426849 276199305 /nfs/dbraw/zinc/19/93/05/276199305.db2.gz NTJHFDBVADMYQU-RCCFBDPRSA-N 2 0 293.499 2.594 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC000093133431 276200888 /nfs/dbraw/zinc/20/08/88/276200888.db2.gz LJLLPTGTGPXALH-ABHNRTSZSA-N 2 0 293.499 2.525 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423286622 276213745 /nfs/dbraw/zinc/21/37/45/276213745.db2.gz HTLWKGPBXFZMAJ-RRFJBIMHSA-N 2 0 268.445 2.689 20 0 CFADRP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340276302 276325674 /nfs/dbraw/zinc/32/56/74/276325674.db2.gz GGHBMHKUEIGZNH-ROUUACIJSA-N 2 0 289.467 2.753 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@@H]1SC ZINC000425353914 276325980 /nfs/dbraw/zinc/32/59/80/276325980.db2.gz NMWZISGMSQGXFD-IHRRRGAJSA-N 2 0 258.475 2.981 20 0 CFADRP CC[NH+](CC)CCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000119644168 276326372 /nfs/dbraw/zinc/32/63/72/276326372.db2.gz UJZVGAHCSWPLHQ-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000361756516 276327906 /nfs/dbraw/zinc/32/79/06/276327906.db2.gz NKBNKWRKTODMKK-BZUAXINKSA-N 2 0 270.461 2.759 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000093464997 276334618 /nfs/dbraw/zinc/33/46/18/276334618.db2.gz UEPVZHNGXXJEDA-WMLDXEAASA-N 2 0 276.424 2.843 20 0 CFADRP CCO[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1C ZINC000451535001 276338872 /nfs/dbraw/zinc/33/88/72/276338872.db2.gz YDTVSHWYIMFUNJ-BZUAXINKSA-N 2 0 268.445 2.608 20 0 CFADRP CCN(CCC[NH2+]C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435884760 276343837 /nfs/dbraw/zinc/34/38/37/276343837.db2.gz WSEYIWCPLMWNPL-AEFFLSMTSA-N 2 0 289.467 2.753 20 0 CFADRP CC[N@H+](CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000422875767 276348894 /nfs/dbraw/zinc/34/88/94/276348894.db2.gz DFLUUAXDAHXLDZ-JKSUJKDBSA-N 2 0 269.477 2.617 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3/C=C/CCCCC3)C2)CC1 ZINC000336251021 276386765 /nfs/dbraw/zinc/38/67/65/276386765.db2.gz FKDQSDSTOQHEFC-IGCXZHCHSA-N 2 0 291.483 2.587 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000336804041 276399359 /nfs/dbraw/zinc/39/93/59/276399359.db2.gz FNLQGZOOZMIAAL-KFWWJZLASA-N 2 0 268.445 2.606 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000354512334 276462318 /nfs/dbraw/zinc/46/23/18/276462318.db2.gz NZHWMPPYHQXQDY-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000246112365 276515593 /nfs/dbraw/zinc/51/55/93/276515593.db2.gz JUVVEXLDMLWGDI-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000430720928 276557212 /nfs/dbraw/zinc/55/72/12/276557212.db2.gz NVWUZVZEHYBUQQ-MHORFTMASA-N 2 0 296.499 2.884 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422889268 276586338 /nfs/dbraw/zinc/58/63/38/276586338.db2.gz PEYHZCODVQBFRR-KBMXLJTQSA-N 2 0 274.408 2.673 20 0 CFADRP C(C[NH2+]C1CCC2(CCOCC2)CC1)C[C@@H]1CCC[NH2+]1 ZINC000414964542 276811149 /nfs/dbraw/zinc/81/11/49/276811149.db2.gz DTZBABNLDDEVSE-HNNXBMFYSA-N 2 0 280.456 2.848 20 0 CFADRP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538800 276849976 /nfs/dbraw/zinc/84/99/76/276849976.db2.gz HEGBDHHNOOCVRO-WRQOLXDDSA-N 2 0 262.441 2.933 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000285165787 277023107 /nfs/dbraw/zinc/02/31/07/277023107.db2.gz MSCAKZZZKNQDFC-MRXNPFEDSA-N 2 0 272.392 2.621 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCC2C[C@H](C)C[C@@H](C)C2)C1 ZINC000430971997 277029204 /nfs/dbraw/zinc/02/92/04/277029204.db2.gz QSZFHTMBKKQVFV-FMKPAKJESA-N 2 0 252.446 2.990 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337437987 277044744 /nfs/dbraw/zinc/04/47/44/277044744.db2.gz KKLSIZOSGWSIQD-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340208112 277064673 /nfs/dbraw/zinc/06/46/73/277064673.db2.gz ZGVHBSCGNXYLFQ-KURKYZTESA-N 2 0 287.451 2.506 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423271447 277083814 /nfs/dbraw/zinc/08/38/14/277083814.db2.gz HMKFOTYRAVVZPE-NUTKFTJISA-N 2 0 289.423 2.813 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000361928575 277192868 /nfs/dbraw/zinc/19/28/68/277192868.db2.gz WTRKTDBTCLZANY-RKVQBDSKSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000370689819 277197969 /nfs/dbraw/zinc/19/79/69/277197969.db2.gz KXCQULWFNITARV-XWSJACJDSA-N 2 0 298.430 2.914 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000234686099 277202520 /nfs/dbraw/zinc/20/25/20/277202520.db2.gz PWEQTASTMMRPQI-HUUCEWRRSA-N 2 0 262.397 2.784 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423280002 277282530 /nfs/dbraw/zinc/28/25/30/277282530.db2.gz UAKWYVIDNAINRT-STQMWFEESA-N 2 0 257.381 2.741 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423255969 277282753 /nfs/dbraw/zinc/28/27/53/277282753.db2.gz BCVRAXDTCWMIAB-AAEUAGOBSA-N 2 0 250.386 2.738 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423274912 277282916 /nfs/dbraw/zinc/28/29/16/277282916.db2.gz MNDYWRRBHZCBGY-LRDDRELGSA-N 2 0 262.397 2.518 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423147852 277303057 /nfs/dbraw/zinc/30/30/57/277303057.db2.gz SWMPHKJNPCGWAR-HRCADAONSA-N 2 0 287.451 2.870 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879549 277324424 /nfs/dbraw/zinc/32/44/24/277324424.db2.gz WPVNRRQCOSGIQE-INIZCTEOSA-N 2 0 281.488 2.737 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358452188 277326090 /nfs/dbraw/zinc/32/60/90/277326090.db2.gz OUEZUYQARCBPOM-YJNKXOJESA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000337320837 277379049 /nfs/dbraw/zinc/37/90/49/277379049.db2.gz BMQZFPOEHHKMJX-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423322096 277461031 /nfs/dbraw/zinc/46/10/31/277461031.db2.gz GXEXWZHRUWGTLQ-RDJZCZTQSA-N 2 0 274.408 2.662 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000423084570 277476713 /nfs/dbraw/zinc/47/67/13/277476713.db2.gz IJKHTDATUCWIRY-FYRZTWFESA-N 2 0 268.445 2.831 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000235233965 277519349 /nfs/dbraw/zinc/51/93/49/277519349.db2.gz ZCIOBACGHGWGRA-XJFOESAGSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1F ZINC000186605467 277564222 /nfs/dbraw/zinc/56/42/22/277564222.db2.gz AKJANAVGWDBPIQ-GJZGRUSLSA-N 2 0 293.430 2.502 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000423124328 277590014 /nfs/dbraw/zinc/59/00/14/277590014.db2.gz OHXAAQDVGOMMNW-ONGXEEELSA-N 2 0 288.844 2.732 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423272677 533690235 /nfs/dbraw/zinc/69/02/35/533690235.db2.gz KAVXAHDSRICWTP-FMKPAKJESA-N 2 0 289.423 2.511 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423553149 277734663 /nfs/dbraw/zinc/73/46/63/277734663.db2.gz VPVTYVNPVHCSMP-XBKGKQEASA-N 2 0 288.435 2.740 20 0 CFADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[C@H]12 ZINC000400946842 277760866 /nfs/dbraw/zinc/76/08/66/277760866.db2.gz ATKTXXLLPLEYBY-YJIPLLKCSA-N 2 0 274.452 2.789 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423483991 277981758 /nfs/dbraw/zinc/98/17/58/277981758.db2.gz QOZFZVISBKYNSL-PBHICJAKSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000360240252 278002228 /nfs/dbraw/zinc/00/22/28/278002228.db2.gz DQEXJYRBSBARNN-TWMKSMIVSA-N 2 0 295.515 2.673 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422999470 278008667 /nfs/dbraw/zinc/00/86/67/278008667.db2.gz FFTQZMUAOBSUNR-XJKSGUPXSA-N 2 0 276.424 2.690 20 0 CFADRP COc1cccc(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261952910 278008760 /nfs/dbraw/zinc/00/87/60/278008760.db2.gz GENIPLQYAHBOHI-SFHVURJKSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)c2cccc(Br)c21 ZINC000335553036 278025289 /nfs/dbraw/zinc/02/52/89/278025289.db2.gz SJQHINCSCZAKIZ-RNCFNFMXSA-N 2 0 295.224 2.806 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423253675 278049648 /nfs/dbraw/zinc/04/96/48/278049648.db2.gz ZHUIQNZOPZUYKK-IAOVAPTHSA-N 2 0 275.440 2.540 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000355644893 278076692 /nfs/dbraw/zinc/07/66/92/278076692.db2.gz BWHWTKSKPHWHJK-HNNXBMFYSA-N 2 0 287.407 2.569 20 0 CFADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000348243945 278089199 /nfs/dbraw/zinc/08/91/99/278089199.db2.gz MGMPJIAKKJSPRV-GRYCIOLGSA-N 2 0 264.335 2.743 20 0 CFADRP CC(C)n1cncc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000335109922 278139082 /nfs/dbraw/zinc/13/90/82/278139082.db2.gz LBEKCMZGMJXVKV-UHFFFAOYSA-N 2 0 276.428 2.524 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537020 278166339 /nfs/dbraw/zinc/16/63/39/278166339.db2.gz BQLNLPOBMIZDCN-SYAUCNOPSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459774544 278167333 /nfs/dbraw/zinc/16/73/33/278167333.db2.gz JCSDHSGHTFHSHE-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423013327 278169548 /nfs/dbraw/zinc/16/95/48/278169548.db2.gz MOYFLAWNVMSPRK-UHOFOFEASA-N 2 0 295.858 2.802 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000423069185 278215663 /nfs/dbraw/zinc/21/56/63/278215663.db2.gz ANDNQPRNXSDQHC-IAGOWNOFSA-N 2 0 287.451 2.843 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422865850 278216527 /nfs/dbraw/zinc/21/65/27/278216527.db2.gz POOFVHVJILQGAI-LVQVYYBASA-N 2 0 279.472 2.512 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423161296 278220110 /nfs/dbraw/zinc/22/01/10/278220110.db2.gz IRLLHDVPCNTAAK-CVEARBPZSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@@H](CC(C)(C)O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449447676 278222960 /nfs/dbraw/zinc/22/29/60/278222960.db2.gz AYZOPSFJRVYOQO-AWEZNQCLSA-N 2 0 282.472 2.923 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000276809313 278229101 /nfs/dbraw/zinc/22/91/01/278229101.db2.gz NRUQEBKGBFDPMG-WFASDCNBSA-N 2 0 262.397 2.699 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000377120537 278232436 /nfs/dbraw/zinc/23/24/36/278232436.db2.gz OZXOLFYITJHUJH-NOLJZWGESA-N 2 0 287.407 2.519 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423292819 278232495 /nfs/dbraw/zinc/23/24/95/278232495.db2.gz OPDPTYLNJSBPNW-RZAIGCCYSA-N 2 0 281.403 2.941 20 0 CFADRP CC1(C)CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423436358 278243437 /nfs/dbraw/zinc/24/34/37/278243437.db2.gz LTKFDYGNOCUELD-SOUVJXGZSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423305064 278245721 /nfs/dbraw/zinc/24/57/21/278245721.db2.gz KBVHXVMYIMLZGG-CABZTGNLSA-N 2 0 287.329 2.662 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000294530954 278254868 /nfs/dbraw/zinc/25/48/68/278254868.db2.gz CPMOVMKUGZVINT-YOEHRIQHSA-N 2 0 289.423 2.598 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423170683 278261751 /nfs/dbraw/zinc/26/17/51/278261751.db2.gz MROOHERNBMENET-HNKHHVNMSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423211265 278264822 /nfs/dbraw/zinc/26/48/22/278264822.db2.gz KRVMPOBBTZAJFR-RYUDHWBXSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000401028009 278276133 /nfs/dbraw/zinc/27/61/33/278276133.db2.gz OKVSPPHAROLMQE-QCEMKRCNSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2ccccc2OC1)C[NH+]1CCCC1 ZINC000493842898 278287089 /nfs/dbraw/zinc/28/70/89/278287089.db2.gz JHTYLKWQGUOASQ-RDJZCZTQSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H](OCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422779260 278301436 /nfs/dbraw/zinc/30/14/36/278301436.db2.gz FPMMZSDQLMOXTP-BHYGNILZSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423225325 278308655 /nfs/dbraw/zinc/30/86/55/278308655.db2.gz MHFHWHGVFIXOQV-GHMZBOCLSA-N 2 0 256.340 2.613 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422810731 278309359 /nfs/dbraw/zinc/30/93/59/278309359.db2.gz UTFPXNXRLDPUCF-OLZOCXBDSA-N 2 0 289.423 2.641 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn[nH]c1 ZINC000340470310 278343981 /nfs/dbraw/zinc/34/39/81/278343981.db2.gz OCSSRGSUVGGWEE-RBSFLKMASA-N 2 0 278.444 2.818 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699382 278347517 /nfs/dbraw/zinc/34/75/17/278347517.db2.gz LMVMEMZTXFUAPN-MMIPBJDJSA-N 3 0 293.499 2.889 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423256514 278348362 /nfs/dbraw/zinc/34/83/62/278348362.db2.gz FLGNFCBEQIPBAI-KGLIPLIRSA-N 2 0 286.423 2.614 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCSCC1 ZINC000186993560 278351259 /nfs/dbraw/zinc/35/12/59/278351259.db2.gz ABSBTMWZTNYZJI-OLZOCXBDSA-N 2 0 268.470 2.592 20 0 CFADRP C[C@@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422706429 278353654 /nfs/dbraw/zinc/35/36/54/278353654.db2.gz DZKQFZHIRGPQFE-KBRIMQKVSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423111804 278353999 /nfs/dbraw/zinc/35/39/99/278353999.db2.gz JIFOUSNUXZCQLG-FRRDWIJNSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C[NH2+]C2C3CC4CC(C3)CC2C4)CC[NH2+]CC1 ZINC000423324125 278462294 /nfs/dbraw/zinc/46/22/94/278462294.db2.gz IJPLMECHYBWIHX-UHFFFAOYSA-N 2 0 262.441 2.790 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335032535 278463128 /nfs/dbraw/zinc/46/31/28/278463128.db2.gz MHBLDLHYAQIXQR-RHSMWYFYSA-N 2 0 272.392 2.632 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000305106026 278464412 /nfs/dbraw/zinc/46/44/12/278464412.db2.gz BLKUNVROMJEEPP-LMSBXDPUSA-N 2 0 294.483 2.780 20 0 CFADRP CC1(F)CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000334518525 278466578 /nfs/dbraw/zinc/46/65/78/278466578.db2.gz ISGVFZAKXVWCFB-UHFFFAOYSA-N 2 0 263.360 2.531 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193950635 278540254 /nfs/dbraw/zinc/54/02/54/278540254.db2.gz NRMOPMWSYMBXPX-BRWVUGGUSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422716566 278621721 /nfs/dbraw/zinc/62/17/21/278621721.db2.gz UJTUFYDJCIEHPI-IUODEOHRSA-N 2 0 264.388 2.820 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000422753910 278622676 /nfs/dbraw/zinc/62/26/76/278622676.db2.gz FLFYUXARMWPYID-DOMZBBRYSA-N 2 0 264.388 2.820 20 0 CFADRP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422921400 278671506 /nfs/dbraw/zinc/67/15/06/278671506.db2.gz OBYBJTCGLVTPSA-UXLLHSPISA-N 2 0 260.425 2.965 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NCCC[NH+](C)C1CCCCC1 ZINC000359679826 288079107 /nfs/dbraw/zinc/07/91/07/288079107.db2.gz RMSPARHTBLLVKS-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000376122313 278852907 /nfs/dbraw/zinc/85/29/07/278852907.db2.gz HGHYYWRPMDXOKS-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104092 278926081 /nfs/dbraw/zinc/92/60/81/278926081.db2.gz GMAWWRNEMRYLCC-CWRNSKLLSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000250587928 278928802 /nfs/dbraw/zinc/92/88/02/278928802.db2.gz YXODTWVSJVUHIC-RBSFLKMASA-N 2 0 270.461 2.756 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C1(C)C ZINC000422766633 278928846 /nfs/dbraw/zinc/92/88/46/278928846.db2.gz MABLNYCPXPNPJH-MGPQQGTHSA-N 2 0 256.434 2.543 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000414728160 278995805 /nfs/dbraw/zinc/99/58/05/278995805.db2.gz BUGZOZSIGWLHNK-CJNGLKHVSA-N 2 0 295.858 2.660 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271887275 279023543 /nfs/dbraw/zinc/02/35/43/279023543.db2.gz QZKWEYJUFONRLR-DYVFJYSZSA-N 2 0 256.393 2.771 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000423049836 279059943 /nfs/dbraw/zinc/05/99/43/279059943.db2.gz XYGFNJBYTDCBLL-KLHDSHLOSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374072253 279093542 /nfs/dbraw/zinc/09/35/42/279093542.db2.gz OEHRGPJAXMJWBF-FUHWJXTLSA-N 2 0 295.515 2.769 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411970881 279100299 /nfs/dbraw/zinc/10/02/99/279100299.db2.gz NVRARDJKTMXZMV-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000360987552 279100477 /nfs/dbraw/zinc/10/04/77/279100477.db2.gz QVUJKVWEZIRGDW-BRWVUGGUSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CCC2 ZINC000423040414 279120214 /nfs/dbraw/zinc/12/02/14/279120214.db2.gz GZTUVWSCBJADEH-KGYLQXTDSA-N 2 0 279.453 2.807 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000361921775 279121164 /nfs/dbraw/zinc/12/11/64/279121164.db2.gz CWQVSDMCNAJFQV-XSLAGTTESA-N 2 0 295.515 2.959 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000348371765 279123037 /nfs/dbraw/zinc/12/30/37/279123037.db2.gz HTBHTVSCBGNCBE-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000360244944 279134386 /nfs/dbraw/zinc/13/43/86/279134386.db2.gz ITYFGSNXBOHQKK-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000343576952 279138278 /nfs/dbraw/zinc/13/82/78/279138278.db2.gz TWOCAWPWDHTWLT-MAUKXSAKSA-N 2 0 289.467 2.568 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358300477 288102090 /nfs/dbraw/zinc/10/20/90/288102090.db2.gz PBDXTBYQSULTDH-VWYCJHECSA-N 2 0 284.391 2.600 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000414690276 279178668 /nfs/dbraw/zinc/17/86/68/279178668.db2.gz AATHPDQCPXWQLJ-HOCLYGCPSA-N 2 0 268.445 2.783 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340248806 279256901 /nfs/dbraw/zinc/25/69/01/279256901.db2.gz XFNMMSUSGAWDBU-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422792722 279256939 /nfs/dbraw/zinc/25/69/39/279256939.db2.gz WEQZEGMPLFALLP-KZNAEPCWSA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194058897 279256996 /nfs/dbraw/zinc/25/69/96/279256996.db2.gz AOCHSTGLWJIZHS-BRWVUGGUSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121973728 279257296 /nfs/dbraw/zinc/25/72/96/279257296.db2.gz AOCHSTGLWJIZHS-BBWFWOEESA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]CCc1ccc(Cl)cc1 ZINC000336688854 279257786 /nfs/dbraw/zinc/25/77/86/279257786.db2.gz HAOZAZOCKYIFPN-GFCCVEGCSA-N 2 0 254.805 2.812 20 0 CFADRP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000422906121 279351314 /nfs/dbraw/zinc/35/13/14/279351314.db2.gz JEPZWDVKQGJKGH-JFIYKMOQSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])CC(F)(F)F ZINC000423189462 279352396 /nfs/dbraw/zinc/35/23/96/279352396.db2.gz REHYEBWNKUGJIZ-AXFHLTTASA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1C[NH2+]C1 ZINC000423300773 279377372 /nfs/dbraw/zinc/37/73/72/279377372.db2.gz FNMCUQKUXXDEFA-SECBINFHSA-N 2 0 273.207 2.733 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1(C)CC1 ZINC000246332469 279457106 /nfs/dbraw/zinc/45/71/06/279457106.db2.gz GEVJAZFQPBWVQT-CWRNSKLLSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000423319767 279462338 /nfs/dbraw/zinc/46/23/38/279462338.db2.gz DWEMUOJQNBIVAP-ZDUSSCGKSA-N 2 0 286.423 2.614 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCC(F)(F)F)CC1 ZINC000346301262 279482445 /nfs/dbraw/zinc/48/24/45/279482445.db2.gz ROCKQGSDHJXAFN-LBPRGKRZSA-N 2 0 296.377 2.542 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423204427 279497754 /nfs/dbraw/zinc/49/77/54/279497754.db2.gz AQOKVDMSKGCJCR-YDHLFZDLSA-N 2 0 274.408 2.756 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000423416938 279656371 /nfs/dbraw/zinc/65/63/71/279656371.db2.gz DSNPRLQLQDTTEX-RRCSTGOVSA-N 2 0 250.430 2.920 20 0 CFADRP [NH3+][C@H]1C[C@H](NCC[NH+]2CCCCCC2)c2ccccc21 ZINC000157419301 279691676 /nfs/dbraw/zinc/69/16/76/279691676.db2.gz XUFFHJYVVJZHQA-IRXDYDNUSA-N 2 0 273.424 2.597 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422802035 279900005 /nfs/dbraw/zinc/90/00/05/279900005.db2.gz AQVNAONEZWZJKC-RBSFLKMASA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000252202576 280011210 /nfs/dbraw/zinc/01/12/10/280011210.db2.gz WODGFCCVEIPTGR-BARDWOONSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCC[NH2+]C1 ZINC000423346072 280158060 /nfs/dbraw/zinc/15/80/60/280158060.db2.gz PMHPVDSFTPBEHK-NXOAAHMSSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423530941 280222719 /nfs/dbraw/zinc/22/27/19/280222719.db2.gz RWZXOMOZFXRWID-MGWQBKBZSA-N 2 0 250.430 2.774 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCCCCC1 ZINC000422961110 280254591 /nfs/dbraw/zinc/25/45/91/280254591.db2.gz ANEXELFMIPWCKZ-BBWFWOEESA-N 2 0 281.488 2.604 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422727979 280254990 /nfs/dbraw/zinc/25/49/90/280254990.db2.gz IKPUJFIQXXUNOQ-OLMNPRSZSA-N 2 0 287.451 2.985 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@]2(COC)CCC[NH2+]2)C1 ZINC000414936011 280286511 /nfs/dbraw/zinc/28/65/11/280286511.db2.gz BNCSJCZWBKYEJU-BZUAXINKSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000430715588 280328914 /nfs/dbraw/zinc/32/89/14/280328914.db2.gz SNHHFPFIBLKDTE-MLHJIOFPSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000430723775 280329871 /nfs/dbraw/zinc/32/98/71/280329871.db2.gz PHSCEEXZIWXLMB-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000453353484 280385895 /nfs/dbraw/zinc/38/58/95/280385895.db2.gz JFXFTZZDXCNIHW-BBWFWOEESA-N 2 0 273.424 2.661 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(C)(C)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372112936 288247471 /nfs/dbraw/zinc/24/74/71/288247471.db2.gz LZFZTUZYKQTYJP-BRWVUGGUSA-N 2 0 293.499 2.523 20 0 CFADRP C(C[NH+]1CCCC1)OC1CC[NH+](C2CCCC2)CC1 ZINC000120109881 280612707 /nfs/dbraw/zinc/61/27/07/280612707.db2.gz VATLDQWWUXBETE-UHFFFAOYSA-N 2 0 266.429 2.506 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132443202 280730888 /nfs/dbraw/zinc/73/08/88/280730888.db2.gz FMCMBYMYFPAESY-ZWKOTPCHSA-N 2 0 295.515 2.983 20 0 CFADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186605957 280849052 /nfs/dbraw/zinc/84/90/52/280849052.db2.gz RHVFNCKOYYOKGV-IRXDYDNUSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000192131572 280907731 /nfs/dbraw/zinc/90/77/31/280907731.db2.gz NSZUUBYAQLUDFY-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc([C@@H](C[NH2+]C2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000422781026 280946171 /nfs/dbraw/zinc/94/61/71/280946171.db2.gz JZUUJDNHIUQXOE-VMWRSERWSA-N 2 0 289.467 2.705 20 0 CFADRP CC[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000246973128 281002081 /nfs/dbraw/zinc/00/20/81/281002081.db2.gz JEYQNIHIZGGGIE-AEFFLSMTSA-N 2 0 289.467 2.753 20 0 CFADRP CC[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000246973146 281002889 /nfs/dbraw/zinc/00/28/89/281002889.db2.gz JEYQNIHIZGGGIE-WMZOPIPTSA-N 2 0 289.467 2.753 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)[C@@H](C)C1 ZINC000247094246 281005133 /nfs/dbraw/zinc/00/51/33/281005133.db2.gz OHBDMNUHANHHIF-TTZDDIAXSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000247134055 281006269 /nfs/dbraw/zinc/00/62/69/281006269.db2.gz AUYKQVOISNYYDW-SJORKVTESA-N 2 0 282.472 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000247231486 281007298 /nfs/dbraw/zinc/00/72/98/281007298.db2.gz YIGXFNQNRVWOAB-TVFCKZIOSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000247204755 281007834 /nfs/dbraw/zinc/00/78/34/281007834.db2.gz WNCKJUKVZLRPFD-YYIAUSFCSA-N 2 0 295.515 2.815 20 0 CFADRP C(C[NH+]1C[C@@H]2CCC[C@H]2C1)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000247272977 281008613 /nfs/dbraw/zinc/00/86/13/281008613.db2.gz JYVBQSUPTFPPNQ-HMQPTBHHSA-N 2 0 262.441 2.840 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1(C)C ZINC000247262643 281008639 /nfs/dbraw/zinc/00/86/39/281008639.db2.gz ZHHBXAQRGJRQFI-AQDIXCGQSA-N 2 0 268.445 2.508 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2C)[C@@H](C)C1 ZINC000247974934 281017228 /nfs/dbraw/zinc/01/72/28/281017228.db2.gz KPRHIKHGDJAYBQ-DOTOQJQBSA-N 2 0 260.425 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247974911 281017272 /nfs/dbraw/zinc/01/72/72/281017272.db2.gz KOQFJIZMOMHICD-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP CCCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000247971801 281017866 /nfs/dbraw/zinc/01/78/66/281017866.db2.gz JMKIJQOCQJJRMQ-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](SC)C2)[C@H](C)C1 ZINC000248170593 281018482 /nfs/dbraw/zinc/01/84/82/281018482.db2.gz URPLPEYVOAYZLD-TUVASFSCSA-N 2 0 270.486 2.981 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248453544 281022621 /nfs/dbraw/zinc/02/26/21/281022621.db2.gz QNFXUTZQVQHAQL-BBRMVZONSA-N 2 0 292.398 2.971 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000248482186 281023047 /nfs/dbraw/zinc/02/30/47/281023047.db2.gz BUJWXFBAVSJRRI-MDZLAQPJSA-N 2 0 267.442 2.627 20 0 CFADRP CSCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248548959 281025231 /nfs/dbraw/zinc/02/52/31/281025231.db2.gz HBPOGHBWRHUNDG-KBPBESRZSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@H](NCC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248542659 281025495 /nfs/dbraw/zinc/02/54/95/281025495.db2.gz CDVIVYBDUKDZDT-GVDBMIGSSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248604501 281028083 /nfs/dbraw/zinc/02/80/83/281028083.db2.gz VWASZHPQPCLMRG-XJNFMUPTSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248636025 281029288 /nfs/dbraw/zinc/02/92/88/281029288.db2.gz KTPXCZGQHWJKFB-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH2+]CC1)CC3 ZINC000335252957 281034946 /nfs/dbraw/zinc/03/49/46/281034946.db2.gz UGEVPDYJKFPJCT-CQSZACIVSA-N 2 0 283.419 2.675 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])CC3 ZINC000415008380 281036451 /nfs/dbraw/zinc/03/64/51/281036451.db2.gz DVMUXJIRSFLXHD-YNEHKIRRSA-N 2 0 271.408 2.659 20 0 CFADRP C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccnn1C ZINC000248993690 281044190 /nfs/dbraw/zinc/04/41/90/281044190.db2.gz OEJOYNPVNIQVCZ-KKUMJFAQSA-N 2 0 290.455 2.724 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673303 281076714 /nfs/dbraw/zinc/07/67/14/281076714.db2.gz IRUOCKQZQKCILQ-SJORKVTESA-N 2 0 281.403 2.951 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000252857354 281078114 /nfs/dbraw/zinc/07/81/14/281078114.db2.gz LHDCCMVVJPDIGF-OFQRWUPVSA-N 2 0 262.372 2.693 20 0 CFADRP Brc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000259104376 281111601 /nfs/dbraw/zinc/11/16/01/281111601.db2.gz UTJHERPDEWEQOM-GFCCVEGCSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@H](C)C2 ZINC000423209290 281120021 /nfs/dbraw/zinc/12/00/21/281120021.db2.gz IXOZUYCMNTUUDI-JKIFEVAISA-N 2 0 258.409 2.818 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000396856867 281198384 /nfs/dbraw/zinc/19/83/84/281198384.db2.gz SSEHJDYTVJLZQC-KBPBESRZSA-N 2 0 256.434 2.654 20 0 CFADRP FC(F)OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000398240384 281205369 /nfs/dbraw/zinc/20/53/69/281205369.db2.gz WHSQKBOINRRPNG-RWMBFGLXSA-N 2 0 276.371 2.516 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000420372527 281220084 /nfs/dbraw/zinc/22/00/84/281220084.db2.gz YCDUPPMAGXWGBR-AWEZNQCLSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@H]([NH2+]CCC12CC3CC(CC(C3)C1)C2)C1C[NH2+]C1 ZINC000422928664 281222606 /nfs/dbraw/zinc/22/26/06/281222606.db2.gz LWYMTCUCUABBHR-ORVZXPRGSA-N 2 0 262.441 2.790 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422930142 281222615 /nfs/dbraw/zinc/22/26/15/281222615.db2.gz SIFGVCCCCACUOR-HZPDHXFCSA-N 2 0 262.397 2.623 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423011726 281223059 /nfs/dbraw/zinc/22/30/59/281223059.db2.gz BKQFIOVTSUHWFW-YXQSOJMXSA-N 2 0 259.397 2.578 20 0 CFADRP CC(=O)N1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccc21 ZINC000423009966 281223211 /nfs/dbraw/zinc/22/32/11/281223211.db2.gz FFHFTBXOXHQJCU-CJNGLKHVSA-N 2 0 289.423 2.591 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000423772720 281224744 /nfs/dbraw/zinc/22/47/44/281224744.db2.gz LKXCRPJCOHLLGH-ARFHVFGLSA-N 2 0 297.487 2.521 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000424371465 281227454 /nfs/dbraw/zinc/22/74/54/281227454.db2.gz FUKXGFXXIZEOAC-MDMSPXHWSA-N 2 0 292.467 2.702 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000449183872 281229693 /nfs/dbraw/zinc/22/96/93/281229693.db2.gz LPBZMGREHQHVES-RDJZCZTQSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@H](C)[NH3+])CC2)o1 ZINC000435393010 281234905 /nfs/dbraw/zinc/23/49/05/281234905.db2.gz DKODGPCTMMUNJS-LBPRGKRZSA-N 2 0 288.395 2.537 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000449183873 281239146 /nfs/dbraw/zinc/23/91/46/281239146.db2.gz LPBZMGREHQHVES-WBVHZDCISA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOCC3CCCC3)CC[C@H]21 ZINC000459365097 281256822 /nfs/dbraw/zinc/25/68/22/281256822.db2.gz MEVVGPJPHKGEDL-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000514847297 281287350 /nfs/dbraw/zinc/28/73/50/281287350.db2.gz NUMTZQDMPIOGAJ-JSGCOSHPSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000514847298 281287511 /nfs/dbraw/zinc/28/75/11/281287511.db2.gz NUMTZQDMPIOGAJ-OCCSQVGLSA-N 2 0 252.427 2.801 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000515406228 281293093 /nfs/dbraw/zinc/29/30/93/281293093.db2.gz FARWUTMYJXUWJW-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000290290027 281299145 /nfs/dbraw/zinc/29/91/45/281299145.db2.gz XWWAVFCTODFBTI-ZACQAIPSSA-N 2 0 286.419 2.515 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000518396559 281308310 /nfs/dbraw/zinc/30/83/10/281308310.db2.gz IDFYZUGNSBAVPI-KURKYZTESA-N 2 0 283.419 2.699 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000520570250 281310019 /nfs/dbraw/zinc/31/00/19/281310019.db2.gz YQFLWHNZVLSNMS-HOTGVXAUSA-N 2 0 270.461 2.638 20 0 CFADRP C[NH+]1CCN(c2cc[nH+]cc2NCCC(C)(C)C)CC1 ZINC000527354667 281329553 /nfs/dbraw/zinc/32/95/53/281329553.db2.gz VUQWKYAIEOYYKM-UHFFFAOYSA-N 2 0 276.428 2.682 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000527681251 281340965 /nfs/dbraw/zinc/34/09/65/281340965.db2.gz MUUGLKNAGPYGIL-KRWDZBQOSA-N 2 0 275.440 2.848 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527719237 281343626 /nfs/dbraw/zinc/34/36/26/281343626.db2.gz JWFXOSVQKURHAM-SDADXPQNSA-N 2 0 250.430 2.743 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)O1 ZINC000130229175 281360495 /nfs/dbraw/zinc/36/04/95/281360495.db2.gz UEVHEQQMLYPIDI-MJBXVCDLSA-N 2 0 266.429 2.549 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000537944680 281546817 /nfs/dbraw/zinc/54/68/17/281546817.db2.gz JZCDLUVRHUAQCD-HZPDHXFCSA-N 2 0 291.439 2.690 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000539853771 281576930 /nfs/dbraw/zinc/57/69/30/281576930.db2.gz AYTAMJKQCBRUSM-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCOCC[NH+](CC)CC ZINC000541740935 281610577 /nfs/dbraw/zinc/61/05/77/281610577.db2.gz LOZLNFPSGVQYDO-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000554373682 281890604 /nfs/dbraw/zinc/89/06/04/281890604.db2.gz KJBPJDYZEHJSQH-ZOBUZTSGSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2N(C)C)C1 ZINC000559731176 282009406 /nfs/dbraw/zinc/00/94/06/282009406.db2.gz VWJMRZKMGGLJGZ-OAHLLOKOSA-N 2 0 275.440 2.573 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000560961396 282044399 /nfs/dbraw/zinc/04/43/99/282044399.db2.gz MNOJWTZCUYQPMT-VXGBXAGGSA-N 2 0 265.426 2.628 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000513756074 282045715 /nfs/dbraw/zinc/04/57/15/282045715.db2.gz WFOGCKMXANAQEJ-IKGGRYGDSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1cc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000562246680 282069234 /nfs/dbraw/zinc/06/92/34/282069234.db2.gz MUDRDCADNKJZGU-RHSMWYFYSA-N 2 0 269.392 2.915 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000367725486 282075399 /nfs/dbraw/zinc/07/53/99/282075399.db2.gz KLMIWMFINLPNJS-GVDBMIGSSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC[NH2+]1 ZINC000414950914 288757846 /nfs/dbraw/zinc/75/78/46/288757846.db2.gz PENCDFHJCSCWQC-BURFUSLBSA-N 2 0 293.499 2.760 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000335763770 289065782 /nfs/dbraw/zinc/06/57/82/289065782.db2.gz WBPKFQLIFMNUOI-UYSNPLJNSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000234264650 289170287 /nfs/dbraw/zinc/17/02/87/289170287.db2.gz LYCKWHUFXLJCNC-KRWDZBQOSA-N 2 0 290.451 2.967 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000375842168 289180280 /nfs/dbraw/zinc/18/02/80/289180280.db2.gz UXINNRVOGIJFKO-DZGCQCFKSA-N 2 0 278.444 2.743 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423013525 289494651 /nfs/dbraw/zinc/49/46/51/289494651.db2.gz FZFZWNNRMPMCKP-LTIDMASMSA-N 2 0 294.483 2.686 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000415104871 289728742 /nfs/dbraw/zinc/72/87/42/289728742.db2.gz LODGUWKZUKRRDZ-JJTUDDRGSA-N 2 0 292.467 2.844 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414081180 289879683 /nfs/dbraw/zinc/87/96/83/289879683.db2.gz DVHZWVHMGSFLGD-CABCVRRESA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000154360077 289892575 /nfs/dbraw/zinc/89/25/75/289892575.db2.gz DVPBAJNPFFSDQC-SFHVURJKSA-N 2 0 289.467 2.755 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422963473 289937911 /nfs/dbraw/zinc/93/79/11/289937911.db2.gz FXUGKZJFHBMKEY-BFWZDYSYSA-N 3 0 293.499 2.760 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000314999843 290019103 /nfs/dbraw/zinc/01/91/03/290019103.db2.gz ZUKNMZSCAPFCEK-GDBMZVCRSA-N 2 0 289.423 2.594 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403330836 290027000 /nfs/dbraw/zinc/02/70/00/290027000.db2.gz FZFYRRNBZRQIHP-XDKXFUCDSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000422899282 290044548 /nfs/dbraw/zinc/04/45/48/290044548.db2.gz OEQMBJBYUNMMPH-JQFCIGGWSA-N 2 0 258.409 2.910 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000562661573 290064358 /nfs/dbraw/zinc/06/43/58/290064358.db2.gz XJCSDVQYPCFLSY-UHFFFAOYSA-N 2 0 274.412 2.773 20 0 CFADRP C[C@@H](NCc1csc(-c2ccco2)n1)[C@@H]1CCC[NH2+]C1 ZINC000562744308 290072751 /nfs/dbraw/zinc/07/27/51/290072751.db2.gz CZXSRFROAQGMAD-VXGBXAGGSA-N 2 0 291.420 2.881 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C(C)(C)CC ZINC000562779194 290075319 /nfs/dbraw/zinc/07/53/19/290075319.db2.gz SHTSRUOUXDNIFW-ZIAGYGMSSA-N 2 0 258.450 2.758 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000562956169 290085170 /nfs/dbraw/zinc/08/51/70/290085170.db2.gz HTLYSZVDWOFRMU-BZNIZROVSA-N 2 0 262.372 2.648 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000562956078 290085233 /nfs/dbraw/zinc/08/52/33/290085233.db2.gz CRQRWFXYGPDJTL-ZIAGYGMSSA-N 2 0 294.439 2.785 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000562957156 290085653 /nfs/dbraw/zinc/08/56/53/290085653.db2.gz RUBMBPQOMSRLSI-HICWGWBUSA-N 2 0 259.397 2.545 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000562962294 290086298 /nfs/dbraw/zinc/08/62/98/290086298.db2.gz MWXODOGRWPRVKC-FPMFFAJLSA-N 2 0 278.444 2.867 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1c1ccccc1 ZINC000563358467 290137942 /nfs/dbraw/zinc/13/79/42/290137942.db2.gz XXRZEUJXTOFUAA-ZWKOTPCHSA-N 2 0 290.451 2.916 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C1 ZINC000563423366 290148577 /nfs/dbraw/zinc/14/85/77/290148577.db2.gz GRQUXYJLRRMKTC-JTNHKYCSSA-N 2 0 264.344 2.509 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563422688 290148593 /nfs/dbraw/zinc/14/85/93/290148593.db2.gz AOKLQCMAHSUWDO-ARFHVFGLSA-N 2 0 267.461 2.501 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)C1 ZINC000563423365 290148655 /nfs/dbraw/zinc/14/86/55/290148655.db2.gz GRQUXYJLRRMKTC-COPLHBTASA-N 2 0 264.344 2.509 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000563804160 290174821 /nfs/dbraw/zinc/17/48/21/290174821.db2.gz SADYKJOTGBQVQK-OAHLLOKOSA-N 2 0 286.423 2.911 20 0 CFADRP CC(C)[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000563811326 290175979 /nfs/dbraw/zinc/17/59/79/290175979.db2.gz YAFTWQWOJZQPMJ-IXDOHACOSA-N 2 0 258.409 2.577 20 0 CFADRP C(CC1CCCCC1)[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000563892845 290181698 /nfs/dbraw/zinc/18/16/98/290181698.db2.gz VRFYMJNVVRAVND-SFHVURJKSA-N 2 0 293.499 2.717 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000564305933 290201727 /nfs/dbraw/zinc/20/17/27/290201727.db2.gz UDJFSWLRLREEIJ-MRXNPFEDSA-N 2 0 284.407 2.617 20 0 CFADRP Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000564329445 290203939 /nfs/dbraw/zinc/20/39/39/290203939.db2.gz IDOXRERVXDZCTD-CYBMUJFWSA-N 2 0 255.365 2.700 20 0 CFADRP CSC1(C[NH2+]C(C2CC2)C2CC2)CC[NH+](C)CC1 ZINC000564433458 290208840 /nfs/dbraw/zinc/20/88/40/290208840.db2.gz DYTYCPBFAAWDCH-UHFFFAOYSA-N 2 0 268.470 2.592 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000564469706 290211008 /nfs/dbraw/zinc/21/10/08/290211008.db2.gz HVXQAOZKIJRMKT-FZMZJTMJSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000564631767 290219598 /nfs/dbraw/zinc/21/95/98/290219598.db2.gz HRLARQMGIVDGIJ-JONQDZQNSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000353587345 290220168 /nfs/dbraw/zinc/22/01/68/290220168.db2.gz HOUQLHSYKIGAIF-ZOBORPQBSA-N 2 0 272.383 2.884 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000564692264 290224261 /nfs/dbraw/zinc/22/42/61/290224261.db2.gz DAZBOEFKJJYSCH-UHFFFAOYSA-N 2 0 272.436 2.723 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353626196 290224477 /nfs/dbraw/zinc/22/44/77/290224477.db2.gz XUJUSJLXGAMFRW-NCOADZHNSA-N 2 0 292.467 2.941 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000564809529 290234932 /nfs/dbraw/zinc/23/49/32/290234932.db2.gz FJGIRALWDQAMAT-UHFFFAOYSA-N 2 0 268.351 2.927 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000564822595 290236400 /nfs/dbraw/zinc/23/64/00/290236400.db2.gz HSMSFDALFNPPHB-WFASDCNBSA-N 2 0 268.351 2.614 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564827947 290238062 /nfs/dbraw/zinc/23/80/62/290238062.db2.gz CWWRRXWZGDJDDD-BFHYXJOUSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000564973828 290254510 /nfs/dbraw/zinc/25/45/10/290254510.db2.gz VSVFVYFHMKAFPD-GHMZBOCLSA-N 2 0 261.344 2.589 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCCC2 ZINC000564989053 290255395 /nfs/dbraw/zinc/25/53/95/290255395.db2.gz JDHJRLPWLDCJEI-SJORKVTESA-N 2 0 288.435 2.973 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000564988693 290255419 /nfs/dbraw/zinc/25/54/19/290255419.db2.gz OEXRNUGJURBDCV-SJORKVTESA-N 2 0 298.434 2.695 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228472436 290265960 /nfs/dbraw/zinc/26/59/60/290265960.db2.gz GZAYGHGURDJMTD-FAXLKDOZSA-N 2 0 262.372 2.946 20 0 CFADRP c1cc2c(s1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000565093537 290267069 /nfs/dbraw/zinc/26/70/69/290267069.db2.gz MTFZSLIJNLOWJX-UHFFFAOYSA-N 2 0 284.428 2.952 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000565225237 290285022 /nfs/dbraw/zinc/28/50/22/290285022.db2.gz RNTDSWHCZHTUKQ-KKUMJFAQSA-N 2 0 262.397 2.622 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000565298396 290292396 /nfs/dbraw/zinc/29/23/96/290292396.db2.gz DBYZWRHFFAWJFA-CQSZACIVSA-N 2 0 272.396 2.523 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CCN1CCc1c(F)cccc1Cl ZINC000565432211 290301485 /nfs/dbraw/zinc/30/14/85/290301485.db2.gz YWZMDPHKSZOVMD-WDEREUQCSA-N 2 0 270.779 2.833 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000565486350 290304608 /nfs/dbraw/zinc/30/46/08/290304608.db2.gz MWZDBVVDGYSVTN-HNNXBMFYSA-N 2 0 293.455 2.794 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000565586513 290311159 /nfs/dbraw/zinc/31/11/59/290311159.db2.gz SCZBBEGDBPBMGF-FCQZEMJXSA-N 2 0 299.462 2.585 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1F ZINC000565597571 290312084 /nfs/dbraw/zinc/31/20/84/290312084.db2.gz LSOHVZVAVSAGIZ-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC000565785481 290325620 /nfs/dbraw/zinc/32/56/20/290325620.db2.gz WCEKOEWHLLOJDX-STQMWFEESA-N 2 0 297.240 2.851 20 0 CFADRP CC(C)(CNC1CC[NH+](CC2CC2)CC1)C[NH+]1CCCC1 ZINC000565985806 290338911 /nfs/dbraw/zinc/33/89/11/290338911.db2.gz XBXHIVDXAADOIZ-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000566089120 290346894 /nfs/dbraw/zinc/34/68/94/290346894.db2.gz QDIHNQVGXCDHJR-WBVHZDCISA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H]1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000373468737 290353073 /nfs/dbraw/zinc/35/30/73/290353073.db2.gz WEBOPKVAPRSTRN-VRLRAXNCSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CO1 ZINC000566219782 290359280 /nfs/dbraw/zinc/35/92/80/290359280.db2.gz FJPTVDJBEINVEH-FSDCSDTHSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[NH2+]C(C)(C)C)C1 ZINC000414696148 290391908 /nfs/dbraw/zinc/39/19/08/290391908.db2.gz VJPAOGOGNPTPJZ-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1F ZINC000566481184 290392630 /nfs/dbraw/zinc/39/26/30/290392630.db2.gz AZSLIXMKPVDHCG-BFHYXJOUSA-N 2 0 280.387 2.843 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000566481055 290392704 /nfs/dbraw/zinc/39/27/04/290392704.db2.gz FAPCLIADOHOGHM-GJZGRUSLSA-N 2 0 264.388 2.963 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000566482854 290393560 /nfs/dbraw/zinc/39/35/60/290393560.db2.gz QWGNHTKBMMXMQI-IRXDYDNUSA-N 2 0 276.424 2.971 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000567638499 290479406 /nfs/dbraw/zinc/47/94/06/290479406.db2.gz LAAVOUCCDZYIKG-HNNXBMFYSA-N 2 0 250.361 2.866 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000567638839 290479552 /nfs/dbraw/zinc/47/95/52/290479552.db2.gz KWAWTCJRLSNNEE-HNNXBMFYSA-N 2 0 282.815 2.617 20 0 CFADRP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533012 290481434 /nfs/dbraw/zinc/48/14/34/290481434.db2.gz WIUJABWBMRCDIM-OADHPXTJSA-N 2 0 262.441 2.918 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000569008251 290582860 /nfs/dbraw/zinc/58/28/60/290582860.db2.gz NCAWUAKEHSGBQH-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000360147980 293091564 /nfs/dbraw/zinc/09/15/64/293091564.db2.gz IQFBWTWHIPVOJY-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1CCC(C(C)C)CC1 ZINC000422891448 293095199 /nfs/dbraw/zinc/09/51/99/293095199.db2.gz KNUOKKNZMBJLEY-NRXISQOPSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000422721444 293097710 /nfs/dbraw/zinc/09/77/10/293097710.db2.gz VLFLWSNWROQJAI-KFWWJZLASA-N 2 0 256.434 2.545 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000378551824 294004546 /nfs/dbraw/zinc/00/45/46/294004546.db2.gz PFPMYQBHXQJLNS-RBSFLKMASA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H]1CCC[C@@](C[NH2+]C2CCC(C[NH3+])CC2)(N(C)C)C1 ZINC000422729765 299875947 /nfs/dbraw/zinc/87/59/47/299875947.db2.gz CFLXHUZQNNUDRH-ZGRYLRDCSA-N 2 0 281.488 2.604 20 0 CFADRP FC1(F)CC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335010158 294712121 /nfs/dbraw/zinc/71/21/21/294712121.db2.gz OSIOMUYKTRHARJ-UKRRQHHQSA-N 2 0 294.345 2.630 20 0 CFADRP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000414234068 294778119 /nfs/dbraw/zinc/77/81/19/294778119.db2.gz SGTJQTRCHMWHDJ-CZUORRHYSA-N 2 0 268.445 2.652 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423272718 295035836 /nfs/dbraw/zinc/03/58/36/295035836.db2.gz IJLBIQGISRPPMD-WQVCFCJDSA-N 2 0 292.398 2.929 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCC3(CCOCC3)CC2)CCCCC1 ZINC000334817515 295208887 /nfs/dbraw/zinc/20/88/87/295208887.db2.gz HJPHOYVANSERQO-UHFFFAOYSA-N 2 0 280.456 2.977 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422826569 295210376 /nfs/dbraw/zinc/21/03/76/295210376.db2.gz QXEWTEVZERUFQB-STQMWFEESA-N 2 0 262.397 2.529 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[NH3+])cc1F ZINC000423184326 295220894 /nfs/dbraw/zinc/22/08/94/295220894.db2.gz IINJKGCDZLUTEX-DZGCQCFKSA-N 2 0 280.387 2.799 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346838775 295234766 /nfs/dbraw/zinc/23/47/66/295234766.db2.gz RJCAEJAOUYRWNI-HUHSQHJXSA-N 2 0 288.435 2.858 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOC1CCCCCC1 ZINC000352504043 295237201 /nfs/dbraw/zinc/23/72/01/295237201.db2.gz MNPIRSQYGLPCAJ-HNNXBMFYSA-N 2 0 268.445 2.929 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(C)c1OC ZINC000423520488 295237786 /nfs/dbraw/zinc/23/77/86/295237786.db2.gz WHJNGHOHFMUWNR-BFHYXJOUSA-N 2 0 292.423 2.790 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422897098 295267262 /nfs/dbraw/zinc/26/72/62/295267262.db2.gz IZJGXJPWXQBXEK-CJNGLKHVSA-N 2 0 276.399 2.964 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000422706160 295268344 /nfs/dbraw/zinc/26/83/44/295268344.db2.gz SVFCDNAQTMXZIL-ZIAGYGMSSA-N 2 0 286.423 2.603 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843012 295273524 /nfs/dbraw/zinc/27/35/24/295273524.db2.gz GRYOALXWJOSZOG-CZUORRHYSA-N 2 0 276.399 2.964 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+](C)C)CCCO2 ZINC000269003746 295273979 /nfs/dbraw/zinc/27/39/79/295273979.db2.gz MCLWSWFAQPECDT-MRXNPFEDSA-N 2 0 292.423 2.840 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCC[NH3+])CCCO2 ZINC000423443880 295275227 /nfs/dbraw/zinc/27/52/27/295275227.db2.gz ARFHPMCLDAXDJR-SWLSCSKDSA-N 2 0 278.396 2.626 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)CC2)c1 ZINC000423124952 295291653 /nfs/dbraw/zinc/29/16/53/295291653.db2.gz PLPFNEZIALAKRC-YOEHRIQHSA-N 2 0 288.435 2.705 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000422967607 295297293 /nfs/dbraw/zinc/29/72/93/295297293.db2.gz UIGOTUPOAYSQPH-BZUAXINKSA-N 2 0 291.439 2.666 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000334864514 295302813 /nfs/dbraw/zinc/30/28/13/295302813.db2.gz QBVAEBGMPBPKGY-IAGOWNOFSA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334848817 295311700 /nfs/dbraw/zinc/31/17/00/295311700.db2.gz KXUQJFHYAOIWKS-LSDHHAIUSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000335043069 295325220 /nfs/dbraw/zinc/32/52/20/295325220.db2.gz MLHQOQPLVFMDLL-MSOLQXFVSA-N 2 0 285.435 2.738 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956762 295327444 /nfs/dbraw/zinc/32/74/44/295327444.db2.gz ZLOZGODAYHGHRN-QGZVFWFLSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000423015875 295333102 /nfs/dbraw/zinc/33/31/02/295333102.db2.gz LQLYCZROVUGHCK-VHSXEESVSA-N 2 0 270.364 2.532 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422817304 295333143 /nfs/dbraw/zinc/33/31/43/295333143.db2.gz CUOLJFIWLOSWBV-LSDHHAIUSA-N 2 0 268.351 2.757 20 0 CFADRP COc1ccccc1[C@@H]([NH2+]CC1C[NH2+]C1)C1CCCC1 ZINC000423302174 295385424 /nfs/dbraw/zinc/38/54/24/295385424.db2.gz JDRCUJVWBSKGBR-KRWDZBQOSA-N 2 0 274.408 2.736 20 0 CFADRP CSC1(C[NH2+][C@@H](C)CC(C)C)CC[NH+](C)CC1 ZINC000353194622 295582497 /nfs/dbraw/zinc/58/24/97/295582497.db2.gz PWCRHBFXLMTONH-ZDUSSCGKSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000261554346 297107473 /nfs/dbraw/zinc/10/74/73/297107473.db2.gz ATWCGEKLKIOOKM-YYJSSNLHSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000261554343 297109379 /nfs/dbraw/zinc/10/93/79/297109379.db2.gz ATWCGEKLKIOOKM-HBIQZDMRSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000420321741 297398624 /nfs/dbraw/zinc/39/86/24/297398624.db2.gz RPKOZLNHMMJVHK-HFAKWTLXSA-N 2 0 264.800 2.996 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415032282 298363087 /nfs/dbraw/zinc/36/30/87/298363087.db2.gz ABQVQLPSBOLSLD-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422964664 298390494 /nfs/dbraw/zinc/39/04/94/298390494.db2.gz MIMAOVWPINPSJJ-CVEARBPZSA-N 2 0 293.455 2.914 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093432 298391093 /nfs/dbraw/zinc/39/10/93/298391093.db2.gz HLIDEOJXYVFKNL-NVXWUHKLSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000423050068 298392545 /nfs/dbraw/zinc/39/25/45/298392545.db2.gz LFHJHXKKEOZOQG-BFYDXBDKSA-N 2 0 277.456 2.785 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCSC1 ZINC000252981026 298893216 /nfs/dbraw/zinc/89/32/16/298893216.db2.gz PHKKVEPOQHZFKY-MCIONIFRSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000422821444 298964001 /nfs/dbraw/zinc/96/40/01/298964001.db2.gz WGICHHLTWUPBRI-MMWGEVLESA-N 2 0 252.324 2.823 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423077428 299001216 /nfs/dbraw/zinc/00/12/16/299001216.db2.gz MHXMDIFFQGHMTC-MORSLUCNSA-N 2 0 288.435 2.796 20 0 CFADRP C[C@H]1C[NH+](CC(O)C[N@H+]2C[C@H](C)CC2(C)C)C(C)(C)C1 ZINC000447304620 300250481 /nfs/dbraw/zinc/25/04/81/300250481.db2.gz LMTGNCWAJFOVQZ-ZIAGYGMSSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)C1 ZINC000401032423 300524376 /nfs/dbraw/zinc/52/43/76/300524376.db2.gz QFGFZAIYPBTQPM-VNAATALASA-N 2 0 250.430 2.789 20 0 CFADRP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154890329 301232577 /nfs/dbraw/zinc/23/25/77/301232577.db2.gz KOXQZMZNRKMQKA-IRXDYDNUSA-N 2 0 289.467 2.590 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1OCCC(C)C ZINC000414883714 533694998 /nfs/dbraw/zinc/69/49/98/533694998.db2.gz NHPGGBWSASMQOW-CQSZACIVSA-N 2 0 294.439 2.947 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422815299 301774045 /nfs/dbraw/zinc/77/40/45/301774045.db2.gz XGQUZLUSMJWXNC-KURKYZTESA-N 2 0 288.435 2.947 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920269 302100263 /nfs/dbraw/zinc/10/02/63/302100263.db2.gz YWBPDAITGDUAGQ-WBVHZDCISA-N 2 0 260.425 2.905 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422738110 302107846 /nfs/dbraw/zinc/10/78/46/302107846.db2.gz JEGSJJMAERVORP-HOTGVXAUSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000443199899 302201201 /nfs/dbraw/zinc/20/12/01/302201201.db2.gz RSENBXALCUNXCV-QAPCUYQASA-N 2 0 289.467 2.670 20 0 CFADRP FC(F)(F)CCCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420335713 303112250 /nfs/dbraw/zinc/11/22/50/303112250.db2.gz LYOCMOLRTMEWCY-UHFFFAOYSA-N 2 0 264.335 2.795 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335213466 303132138 /nfs/dbraw/zinc/13/21/38/303132138.db2.gz BHOGZFZUNCCAAY-HIFRSBDPSA-N 2 0 278.371 2.771 20 0 CFADRP Fc1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)c1 ZINC000423556228 303137501 /nfs/dbraw/zinc/13/75/01/303137501.db2.gz YQGKQEQGIDYPGD-DLTLXFJOSA-N 2 0 289.398 2.650 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335044282 303482105 /nfs/dbraw/zinc/48/21/05/303482105.db2.gz XXXUHRHBPSYROK-ZWKOTPCHSA-N 2 0 287.451 2.905 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000414789833 533702432 /nfs/dbraw/zinc/70/24/32/533702432.db2.gz FVEQYIXMVNHNQW-YPMHNXCESA-N 2 0 268.788 2.566 20 0 CFADRP C[C@H](Cc1ccsc1)[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000162147937 322360877 /nfs/dbraw/zinc/36/08/77/322360877.db2.gz DUBPHKBJAPBYDW-UKRRQHHQSA-N 2 0 266.454 2.953 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000162525635 322365980 /nfs/dbraw/zinc/36/59/80/322365980.db2.gz GVUKIXKJXXHITP-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2F)CC[N@@H+]1C ZINC000162976475 322371009 /nfs/dbraw/zinc/37/10/09/322371009.db2.gz IZIBHPIGPHGHGS-FZMZJTMJSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000164617885 322383533 /nfs/dbraw/zinc/38/35/33/322383533.db2.gz NCMXQTDOVGQCFC-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnc2ccccc12 ZINC000569453125 322473841 /nfs/dbraw/zinc/47/38/41/322473841.db2.gz WSJAVDUBISYYHC-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1CCC(C[NH3+])CC1)CO2 ZINC000570077673 322512913 /nfs/dbraw/zinc/51/29/13/322512913.db2.gz ISXZORQYWLEFHA-SSDMNJCBSA-N 2 0 260.381 2.536 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)cc2)C1 ZINC000570226648 322521553 /nfs/dbraw/zinc/52/15/53/322521553.db2.gz OZGPFUQWVORIGW-STQMWFEESA-N 2 0 268.788 2.578 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571344623 322580109 /nfs/dbraw/zinc/58/01/09/322580109.db2.gz VLVDLMIWANPXCH-GJZGRUSLSA-N 2 0 286.423 2.594 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000571633512 322590173 /nfs/dbraw/zinc/59/01/73/322590173.db2.gz BKOXJSXLIUTGLW-HIFRSBDPSA-N 2 0 250.386 2.580 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCOc1ccccc1 ZINC000571669295 322591852 /nfs/dbraw/zinc/59/18/52/322591852.db2.gz DWZFSOZGUVHMSB-UONOGXRCSA-N 2 0 250.386 2.561 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000573437208 322656144 /nfs/dbraw/zinc/65/61/44/322656144.db2.gz VVLLZEKADVJLPZ-AAEUAGOBSA-N 2 0 279.453 2.643 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573439193 322656236 /nfs/dbraw/zinc/65/62/36/322656236.db2.gz KWUQSTZUUYFCJE-NUEKZKHPSA-N 2 0 282.472 2.779 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000574159520 322683028 /nfs/dbraw/zinc/68/30/28/322683028.db2.gz YVTLTTPXPSFEIU-KZNAEPCWSA-N 2 0 288.435 2.830 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000574159521 322683098 /nfs/dbraw/zinc/68/30/98/322683098.db2.gz YVTLTTPXPSFEIU-OKZBNKHCSA-N 2 0 288.435 2.830 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1(C)C ZINC000574452749 322693002 /nfs/dbraw/zinc/69/30/02/322693002.db2.gz ONMZIPSJWBNSIB-HZPDHXFCSA-N 2 0 276.424 2.827 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000575002556 322714694 /nfs/dbraw/zinc/71/46/94/322714694.db2.gz OSGJTNHMDGTCLD-NOXHYTERSA-N 2 0 296.361 2.654 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000575762468 322728656 /nfs/dbraw/zinc/72/86/56/322728656.db2.gz VJMWWKQGWMSNJU-BPUTZDHNSA-N 2 0 276.424 2.733 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000575859764 322731870 /nfs/dbraw/zinc/73/18/70/322731870.db2.gz JOQVPBJFDOIFSS-RDJZCZTQSA-N 2 0 281.488 2.619 20 0 CFADRP CN1CC[NH+](CCCC[NH2+]CCC2CCCCCC2)CC1 ZINC000575906695 322733809 /nfs/dbraw/zinc/73/38/09/322733809.db2.gz MMCMIYWZQGPRNL-UHFFFAOYSA-N 2 0 295.515 2.964 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000177901574 323706209 /nfs/dbraw/zinc/70/62/09/323706209.db2.gz MUOANVAXWXQWMG-ZACQAIPSSA-N 2 0 292.467 2.654 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000187960581 324005007 /nfs/dbraw/zinc/00/50/07/324005007.db2.gz KRFOCINJAFLSDY-AWEZNQCLSA-N 2 0 276.428 2.558 20 0 CFADRP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000188247347 324011084 /nfs/dbraw/zinc/01/10/84/324011084.db2.gz QZPQYDKKBYJYKD-OAHLLOKOSA-N 2 0 278.440 2.899 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000189811654 324033764 /nfs/dbraw/zinc/03/37/64/324033764.db2.gz BJKITRDMJLVEAZ-IXDOHACOSA-N 2 0 282.472 2.855 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000189811560 324034061 /nfs/dbraw/zinc/03/40/61/324034061.db2.gz UENWCSJPPPBFQL-IAGOWNOFSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000191825164 324054725 /nfs/dbraw/zinc/05/47/25/324054725.db2.gz CKXQZTDGTPLZMA-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ncccc1Cc1noc(CN2[C@H](C)CC[C@H]2C)n1 ZINC000351240108 324357651 /nfs/dbraw/zinc/35/76/51/324357651.db2.gz WNEWWNXYRKYIHX-VXGBXAGGSA-N 2 0 286.379 2.737 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@@H]1CC2CCC1CC2 ZINC000382249714 324427528 /nfs/dbraw/zinc/42/75/28/324427528.db2.gz XATGFHCGCRVUMM-XCAIRMDXSA-N 2 0 250.430 2.790 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000387247226 324490604 /nfs/dbraw/zinc/49/06/04/324490604.db2.gz CEGLHEAKYHHWRS-QGZVFWFLSA-N 2 0 297.402 2.777 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626732 324760864 /nfs/dbraw/zinc/76/08/64/324760864.db2.gz QIXTZRCRGBAQSL-ROUUACIJSA-N 3 0 287.451 2.642 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000578191903 324825534 /nfs/dbraw/zinc/82/55/34/324825534.db2.gz PSHKAPUMYJSWSX-UHFFFAOYSA-N 2 0 297.402 2.768 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C[C@@H]1OC ZINC000580075348 325004899 /nfs/dbraw/zinc/00/48/99/325004899.db2.gz GKBKIGGHGQNVQJ-HOTGVXAUSA-N 2 0 276.424 2.829 20 0 CFADRP Cc1ccnc([C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000580090932 325007032 /nfs/dbraw/zinc/00/70/32/325007032.db2.gz KLAFZZQGCDOHNC-HZPDHXFCSA-N 2 0 273.424 2.664 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000580326742 325026652 /nfs/dbraw/zinc/02/66/52/325026652.db2.gz YKFUARPOEDBMIZ-RYUDHWBXSA-N 2 0 262.397 2.616 20 0 CFADRP CC(C)C[C@@H](CN)[NH2+]Cc1ccnc2ccccc12 ZINC000580761669 325061645 /nfs/dbraw/zinc/06/16/45/325061645.db2.gz FHPQGICKAVJGAF-AWEZNQCLSA-N 2 0 257.381 2.698 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581119305 325092357 /nfs/dbraw/zinc/09/23/57/325092357.db2.gz MWIWVRWNUXGJCE-MBNYWOFBSA-N 2 0 252.427 2.786 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000581380327 325117000 /nfs/dbraw/zinc/11/70/00/325117000.db2.gz QFOMPZGVLMEQFK-CHWSQXEVSA-N 2 0 265.426 2.553 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C1 ZINC000581677918 325142799 /nfs/dbraw/zinc/14/27/99/325142799.db2.gz TWASDQHQZVZEKL-CHWSQXEVSA-N 2 0 284.350 2.690 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581720257 325145402 /nfs/dbraw/zinc/14/54/02/325145402.db2.gz BDIOBKOEAUSUNW-CVEARBPZSA-N 2 0 276.424 2.822 20 0 CFADRP C1=C[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000581829923 325151520 /nfs/dbraw/zinc/15/15/20/325151520.db2.gz PFENHCHQELDPLA-GOSISDBHSA-N 2 0 292.467 2.920 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000581966887 325164239 /nfs/dbraw/zinc/16/42/39/325164239.db2.gz VERQKFKUYVPZEK-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCCCC2)C1 ZINC000581997122 325167208 /nfs/dbraw/zinc/16/72/08/325167208.db2.gz YDIRRKQAJUJZJJ-LSDHHAIUSA-N 2 0 290.455 2.698 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000582214980 325185996 /nfs/dbraw/zinc/18/59/96/325185996.db2.gz DSUISHQSDNYTKX-JKSUJKDBSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000582214977 325186103 /nfs/dbraw/zinc/18/61/03/325186103.db2.gz DSUISHQSDNYTKX-CVEARBPZSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000582214979 325186133 /nfs/dbraw/zinc/18/61/33/325186133.db2.gz DSUISHQSDNYTKX-HZPDHXFCSA-N 2 0 282.472 2.900 20 0 CFADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000582311042 325195031 /nfs/dbraw/zinc/19/50/31/325195031.db2.gz ATRBIXGGBBXJPZ-LSDHHAIUSA-N 2 0 298.434 2.660 20 0 CFADRP CN(C)c1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000582311039 325195263 /nfs/dbraw/zinc/19/52/63/325195263.db2.gz ATRBIXGGBBXJPZ-CABCVRRESA-N 2 0 298.434 2.660 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CC[NH2+]CC1)CC3 ZINC000582600267 325218084 /nfs/dbraw/zinc/21/80/84/325218084.db2.gz KSOQAJSIXNWFHQ-OAHLLOKOSA-N 2 0 297.446 2.923 20 0 CFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582693379 325226213 /nfs/dbraw/zinc/22/62/13/325226213.db2.gz XYBKKJBYWNUUEN-NRSFXHEJSA-N 2 0 288.435 2.664 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000582735702 325230627 /nfs/dbraw/zinc/23/06/27/325230627.db2.gz KVNBUEYQZHEGGA-NJINODPHSA-N 2 0 258.409 2.966 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CO1 ZINC000582844684 325238572 /nfs/dbraw/zinc/23/85/72/325238572.db2.gz FMWCZESKAFLFOU-NVXWUHKLSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000582869360 325241689 /nfs/dbraw/zinc/24/16/89/325241689.db2.gz XSGUYXJXPZRZHE-XOYOTBSWSA-N 2 0 288.435 2.837 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[NH3+])CC3 ZINC000582958627 325247684 /nfs/dbraw/zinc/24/76/84/325247684.db2.gz JLKLZHOPULHOIJ-HNJNHCNJSA-N 2 0 283.419 2.803 20 0 CFADRP FC(F)[C@H](CCc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000583198217 325267743 /nfs/dbraw/zinc/26/77/43/325267743.db2.gz SXGRUPVICATFEK-HNNXBMFYSA-N 2 0 282.378 2.842 20 0 CFADRP C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000583263826 325272964 /nfs/dbraw/zinc/27/29/64/325272964.db2.gz VJKYOXWPJDDLGO-IRXDYDNUSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1cnccc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000583362394 325280598 /nfs/dbraw/zinc/28/05/98/325280598.db2.gz PMIXSJMRIODSCX-MRXNPFEDSA-N 2 0 273.424 2.554 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000583735117 325306665 /nfs/dbraw/zinc/30/66/65/325306665.db2.gz VYFHWRYCDHTECM-AWEZNQCLSA-N 2 0 270.461 2.902 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000583732844 325306742 /nfs/dbraw/zinc/30/67/42/325306742.db2.gz JHARCFZJLGBRGW-MRXNPFEDSA-N 2 0 276.424 2.577 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583822891 325312957 /nfs/dbraw/zinc/31/29/57/325312957.db2.gz BDXBERUNQJAMTG-OAGGEKHMSA-N 2 0 281.488 2.747 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])o1 ZINC000583928871 325319398 /nfs/dbraw/zinc/31/93/98/325319398.db2.gz WAULCFALKJPBII-WMLDXEAASA-N 2 0 272.392 2.679 20 0 CFADRP COC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000584053925 325327360 /nfs/dbraw/zinc/32/73/60/325327360.db2.gz QMYSXUAREGRINT-KRWDZBQOSA-N 2 0 270.376 2.623 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)OCO2 ZINC000584113681 325331652 /nfs/dbraw/zinc/33/16/52/325331652.db2.gz BXODBCWJRWVJBQ-LBPRGKRZSA-N 2 0 284.359 2.725 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C1 ZINC000584124036 325332689 /nfs/dbraw/zinc/33/26/89/325332689.db2.gz RDRBRHXAZMGAGQ-UONOGXRCSA-N 2 0 257.381 2.570 20 0 CFADRP CC(C)[C@@H](O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000165357729 519800689 /nfs/dbraw/zinc/80/06/89/519800689.db2.gz YVDZAMSMTYWPJT-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[NH3+] ZINC000062660251 519843734 /nfs/dbraw/zinc/84/37/34/519843734.db2.gz OAEHGASDTMRJRY-OAHLLOKOSA-N 2 0 262.397 2.962 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCC1CCCCC1 ZINC000361593117 520291385 /nfs/dbraw/zinc/29/13/85/520291385.db2.gz GLCKKQUQOLCPPZ-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C12CCC2 ZINC000087710993 520364454 /nfs/dbraw/zinc/36/44/54/520364454.db2.gz GPTQPYCIIPYIEE-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000337331005 520648121 /nfs/dbraw/zinc/64/81/21/520648121.db2.gz HIEVRXRTEWKHFD-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2C(C)(C)C2(C)C)C1 ZINC000354164633 521717765 /nfs/dbraw/zinc/71/77/65/521717765.db2.gz PLPOZSIRSQFVNB-CHWSQXEVSA-N 2 0 252.446 2.989 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])ccc1Br ZINC000414787257 533721228 /nfs/dbraw/zinc/72/12/28/533721228.db2.gz CCCYJNIPCYEGMN-GXTWGEPZSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@@H](C[N@H+](C)C1CC([NH3+])C1)c1cccc(Br)c1 ZINC000414782162 533735440 /nfs/dbraw/zinc/73/54/40/533735440.db2.gz XDLZWZOQGGDEIU-FNBIGBAISA-N 2 0 297.240 2.974 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150287231 522090477 /nfs/dbraw/zinc/09/04/77/522090477.db2.gz FHXOMPXVEUFQCZ-GFCCVEGCSA-N 2 0 254.324 2.666 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1C ZINC000422776900 533770149 /nfs/dbraw/zinc/77/01/49/533770149.db2.gz FEWDXKSAANYYQX-BBRMVZONSA-N 2 0 276.424 2.524 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000423140644 533770203 /nfs/dbraw/zinc/77/02/03/533770203.db2.gz YYFKHFZHRCMUOE-GHMZBOCLSA-N 2 0 270.804 2.607 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422730199 533785029 /nfs/dbraw/zinc/78/50/29/533785029.db2.gz LTFNEADXZOZOFX-ZOBUZTSGSA-N 2 0 289.467 2.846 20 0 CFADRP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414844792 533788502 /nfs/dbraw/zinc/78/85/02/533788502.db2.gz CVEOXAIMQLXYDZ-BFOXKCCLSA-N 2 0 262.372 2.817 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422886580 533797836 /nfs/dbraw/zinc/79/78/36/533797836.db2.gz XBBSWENYEAMTRN-XWTMOSNGSA-N 3 0 295.515 2.994 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000423289195 533799140 /nfs/dbraw/zinc/79/91/40/533799140.db2.gz ANRKOUAUJSUCKL-KBPBESRZSA-N 2 0 299.418 2.831 20 0 CFADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000422709633 533804819 /nfs/dbraw/zinc/80/48/19/533804819.db2.gz ZKVQACPMGIACLM-SJPCQFCGSA-N 2 0 258.409 2.719 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000415094461 533803154 /nfs/dbraw/zinc/80/31/54/533803154.db2.gz XOSOGQDSDOUKQB-CVEARBPZSA-N 2 0 260.425 2.824 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422865219 533837788 /nfs/dbraw/zinc/83/77/88/533837788.db2.gz OMFLMBBXBSXJII-NHYWBVRUSA-N 2 0 282.428 2.906 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422817958 533845528 /nfs/dbraw/zinc/84/55/28/533845528.db2.gz IWYCZHAHFOYVOO-OAHLLOKOSA-N 2 0 286.423 2.522 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000422709908 533846527 /nfs/dbraw/zinc/84/65/27/533846527.db2.gz LEPPMUZAAXHBEC-CJNGLKHVSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1cccc(F)c1 ZINC000422781127 533846730 /nfs/dbraw/zinc/84/67/30/533846730.db2.gz DSKWUVAFPLESJD-OLZOCXBDSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000422707984 533846815 /nfs/dbraw/zinc/84/68/15/533846815.db2.gz BDCXLEYUOXDPBP-CVEARBPZSA-N 2 0 289.467 2.540 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cccc2[nH]ccc21 ZINC000423116391 533844316 /nfs/dbraw/zinc/84/43/16/533844316.db2.gz PQYZMFFOLYNCAD-CYBMUJFWSA-N 2 0 259.397 2.818 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422769488 533860722 /nfs/dbraw/zinc/86/07/22/533860722.db2.gz SZZHRLPKKSCRTA-UWVGGRQHSA-N 2 0 256.777 2.564 20 0 CFADRP C[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000414770840 533865272 /nfs/dbraw/zinc/86/52/72/533865272.db2.gz PNMFAZQAILEWEB-CWRNSKLLSA-N 2 0 276.399 2.861 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)ccc1F ZINC000423250849 533866927 /nfs/dbraw/zinc/86/69/27/533866927.db2.gz RBGVOVMMYHGELC-WDEREUQCSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422840353 533867597 /nfs/dbraw/zinc/86/75/97/533867597.db2.gz BJNJKJAZUCTBTM-CYBMUJFWSA-N 2 0 264.388 2.964 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000422789201 533874150 /nfs/dbraw/zinc/87/41/50/533874150.db2.gz BHIJYAVQNJSJLN-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1OCC1CC1 ZINC000415026041 533871294 /nfs/dbraw/zinc/87/12/94/533871294.db2.gz SNAWWZDKFXROQJ-CYBMUJFWSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422723555 533871922 /nfs/dbraw/zinc/87/19/22/533871922.db2.gz RUJHYXWKQBNCPD-SNVBAGLBSA-N 2 0 265.382 2.620 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423041659 533873800 /nfs/dbraw/zinc/87/38/00/533873800.db2.gz XPTAOTDJYBVCIR-DAXOMENPSA-N 2 0 280.387 2.763 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422799084 533869590 /nfs/dbraw/zinc/86/95/90/533869590.db2.gz VBFNVCABDFTAKU-GHMZBOCLSA-N 2 0 256.340 2.785 20 0 CFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1SC ZINC000414904873 533874969 /nfs/dbraw/zinc/87/49/69/533874969.db2.gz MIZQZSNBZMRJCQ-CYBMUJFWSA-N 2 0 280.437 2.649 20 0 CFADRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1SC ZINC000414857054 533875581 /nfs/dbraw/zinc/87/55/81/533875581.db2.gz ZQUGHXOTBMKQSW-CYBMUJFWSA-N 2 0 294.464 2.896 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000414076387 533922813 /nfs/dbraw/zinc/92/28/13/533922813.db2.gz QAKWFHUIJOMFKX-KEYYUXOJSA-N 2 0 276.424 2.761 20 0 CFADRP CS[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036215 533927575 /nfs/dbraw/zinc/92/75/75/533927575.db2.gz SSBDDMCBAZWZOU-AVGNSLFASA-N 2 0 258.475 2.884 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)C1C[NH2+]C1 ZINC000422895635 533931621 /nfs/dbraw/zinc/93/16/21/533931621.db2.gz WLAFLBMQXWAMSY-HNNXBMFYSA-N 2 0 296.414 2.963 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414999275 533950753 /nfs/dbraw/zinc/95/07/53/533950753.db2.gz RNIXEWLFUWSOMS-LTVAEWHBSA-N 2 0 274.408 2.816 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422747389 533977192 /nfs/dbraw/zinc/97/71/92/533977192.db2.gz QBWXYIYHLRLGPU-BPLDGKMQSA-N 2 0 288.391 2.583 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423248275 533982006 /nfs/dbraw/zinc/98/20/06/533982006.db2.gz MUUZCUSTXQZKMB-CHWSQXEVSA-N 2 0 282.378 2.875 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423166202 534015841 /nfs/dbraw/zinc/01/58/41/534015841.db2.gz QWRXSGREAQIVOJ-IIYDPXPESA-N 2 0 294.414 2.743 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Br)ccc1Cl ZINC000414873490 534047984 /nfs/dbraw/zinc/04/79/84/534047984.db2.gz HGQDZAUEJXHRMF-MRVPVSSYSA-N 2 0 291.620 2.787 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414878610 534049083 /nfs/dbraw/zinc/04/90/83/534049083.db2.gz OKVUDCOMYNVNDP-MRVPVSSYSA-N 2 0 278.730 2.626 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1F ZINC000422799607 534055311 /nfs/dbraw/zinc/05/53/11/534055311.db2.gz XQOURUWHXSAOLQ-RAQOOLMWSA-N 2 0 280.362 2.941 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422943390 534073634 /nfs/dbraw/zinc/07/36/34/534073634.db2.gz KFUROFSOGSSNSU-BXUZGUMPSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414673916 534078744 /nfs/dbraw/zinc/07/87/44/534078744.db2.gz DBGMYOFCWKLXQT-HOTGVXAUSA-N 2 0 298.434 2.692 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C)c1 ZINC000415011238 534083015 /nfs/dbraw/zinc/08/30/15/534083015.db2.gz QQKHFOFBIHXHTF-DLBZAZTESA-N 2 0 258.409 2.781 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3nccs3)CCCC2)CC[NH2+]1 ZINC000414717038 534084629 /nfs/dbraw/zinc/08/46/29/534084629.db2.gz ZALZXDPZYTWGNX-STQMWFEESA-N 2 0 279.453 2.890 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCN3)CC[NH2+]1 ZINC000414980168 534085239 /nfs/dbraw/zinc/08/52/39/534085239.db2.gz PFKXXVWXWGEJJT-ZFWWWQNUSA-N 2 0 273.424 2.522 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422756850 534105425 /nfs/dbraw/zinc/10/54/25/534105425.db2.gz CNVZFXMMVSVYAB-LSDHHAIUSA-N 2 0 264.438 2.698 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000425338775 534115880 /nfs/dbraw/zinc/11/58/80/534115880.db2.gz QFJHDTHAQOLAQV-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000414840504 534117914 /nfs/dbraw/zinc/11/79/14/534117914.db2.gz KKJIXPYCWNFNDL-AWEZNQCLSA-N 2 0 276.424 2.877 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422816755 534122228 /nfs/dbraw/zinc/12/22/28/534122228.db2.gz BGWJKBNZSOSQIE-UAGQMJEPSA-N 2 0 290.451 2.992 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422816754 534122375 /nfs/dbraw/zinc/12/23/75/534122375.db2.gz BGWJKBNZSOSQIE-PVAVHDDUSA-N 2 0 290.451 2.992 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000422771092 534123480 /nfs/dbraw/zinc/12/34/80/534123480.db2.gz VJHJZPGLLJHVTJ-SCDSUCTJSA-N 2 0 252.427 2.718 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000414794239 534133993 /nfs/dbraw/zinc/13/39/93/534133993.db2.gz FMPAFEUPPSRJOO-UBDQQSCGSA-N 2 0 287.451 2.539 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000414877322 534148791 /nfs/dbraw/zinc/14/87/91/534148791.db2.gz MKJOEBNQKBOKFY-PWSUYJOCSA-N 2 0 297.830 2.550 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422858067 534159604 /nfs/dbraw/zinc/15/96/04/534159604.db2.gz IEYAZQBPQGVTRK-KBRIMQKVSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@@H](COc1cccc(F)c1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415084835 534169117 /nfs/dbraw/zinc/16/91/17/534169117.db2.gz RQGKBOUOIKNBIH-OPFPJEHXSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCSCC1 ZINC000422726355 534175844 /nfs/dbraw/zinc/17/58/44/534175844.db2.gz DRMYPIGAIYLUBK-XJKSGUPXSA-N 2 0 278.465 2.678 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCC1CCOCC1 ZINC000423144006 534176568 /nfs/dbraw/zinc/17/65/68/534176568.db2.gz FWMGENXMXMYNFZ-MAUKXSAKSA-N 2 0 290.451 2.741 20 0 CFADRP Cc1ccc(O[C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422779545 534199726 /nfs/dbraw/zinc/19/97/26/534199726.db2.gz BZHBICCYMPAGQT-FHERZECASA-N 2 0 276.424 2.869 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423094731 534200323 /nfs/dbraw/zinc/20/03/23/534200323.db2.gz KQCLNOXWPXYDQL-HIFRSBDPSA-N 2 0 264.438 2.668 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414985384 534204027 /nfs/dbraw/zinc/20/40/27/534204027.db2.gz BHUKSZZGMQUMSV-RHSMWYFYSA-N 2 0 298.434 2.992 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc2c[nH+]cn2c1 ZINC000423167923 534208846 /nfs/dbraw/zinc/20/88/46/534208846.db2.gz GBMYTODHMZCPFN-GOEBONIOSA-N 2 0 286.423 2.735 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)o1 ZINC000414839862 534217968 /nfs/dbraw/zinc/21/79/68/534217968.db2.gz WQVQZWQHVPKFMB-LBPRGKRZSA-N 2 0 291.420 2.801 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)s2)o1 ZINC000415032203 534218471 /nfs/dbraw/zinc/21/84/71/534218471.db2.gz HREGVFTYCNIDCZ-RYUDHWBXSA-N 2 0 291.420 2.929 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414893087 534239762 /nfs/dbraw/zinc/23/97/62/534239762.db2.gz RBXPMOHBQUMZGC-HZMBPMFUSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249958 534266823 /nfs/dbraw/zinc/26/68/23/534266823.db2.gz PQFHUXCZWNUWAQ-KBPBESRZSA-N 2 0 272.392 2.953 20 0 CFADRP c1ccc2[nH]c(C3CC[NH+](C[C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000336542176 518203900 /nfs/dbraw/zinc/20/39/00/518203900.db2.gz SOVUBVGBRUZGHQ-AWEZNQCLSA-N 2 0 298.434 2.742 20 0 CFADRP Brc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000087646093 518213122 /nfs/dbraw/zinc/21/31/22/518213122.db2.gz XRXXLJAVKVPQLZ-LBPRGKRZSA-N 2 0 283.213 2.538 20 0 CFADRP Brc1csc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000168756071 518234456 /nfs/dbraw/zinc/23/44/56/518234456.db2.gz GWYKYJDCLCZKOV-SNVBAGLBSA-N 2 0 289.242 2.742 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888746 534347814 /nfs/dbraw/zinc/34/78/14/534347814.db2.gz NSBATIATIVADSF-HZPDHXFCSA-N 2 0 271.364 2.568 20 0 CFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000050952996 518384019 /nfs/dbraw/zinc/38/40/19/518384019.db2.gz JWGOABAQYFOIES-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP C(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C[NH+]1CCCCC1 ZINC000193951116 518393366 /nfs/dbraw/zinc/39/33/66/518393366.db2.gz HIIGUVFQYBFYCT-IXDOHACOSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227913104 519211378 /nfs/dbraw/zinc/21/13/78/519211378.db2.gz MMSQHYFZBIMKMM-HUUCEWRRSA-N 2 0 262.397 2.520 20 0 CFADRP CC(C)C[C@]1(CO)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000191671917 519427042 /nfs/dbraw/zinc/42/70/42/519427042.db2.gz RPLWRFJWIWKMQW-KRWDZBQOSA-N 2 0 282.472 2.735 20 0 CFADRP CC(C)CCC[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000338421249 519641016 /nfs/dbraw/zinc/64/10/16/519641016.db2.gz OGGAKADTPLQDJZ-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)CCn1cccn1)C(C)C ZINC000158904627 519643710 /nfs/dbraw/zinc/64/37/10/519643710.db2.gz MBHSZAXEGWMVMU-INIZCTEOSA-N 2 0 280.460 2.760 20 0 CFADRP CC(C)[N@@H+](CCc1nccs1)CC[C@H]1CCC[NH+]1C ZINC000163418726 519651483 /nfs/dbraw/zinc/65/14/83/519651483.db2.gz BQZLOHMOXJLOGW-CQSZACIVSA-N 2 0 281.469 2.880 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414864401 534443194 /nfs/dbraw/zinc/44/31/94/534443194.db2.gz YLGOWTZEQRDNBS-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000337315976 519682344 /nfs/dbraw/zinc/68/23/44/519682344.db2.gz KJVOOZOEPDNRHB-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000085400652 519760762 /nfs/dbraw/zinc/76/07/62/519760762.db2.gz RZKHYXBOXAXVFW-BHYGNILZSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000224972466 519760959 /nfs/dbraw/zinc/76/09/59/519760959.db2.gz REFXWMOLYIIJQC-XHSDSOJGSA-N 2 0 268.445 2.702 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000051694038 519779687 /nfs/dbraw/zinc/77/96/87/519779687.db2.gz BBKSRRSFQSMDSN-UHFFFAOYSA-N 2 0 262.397 2.833 20 0 CFADRP CC(C)[C@@H](C[NH2+]CCOCC[NH+](C)C)c1ccccc1 ZINC000232707865 519795059 /nfs/dbraw/zinc/79/50/59/519795059.db2.gz FQLBYZCJMGMAPY-QGZVFWFLSA-N 2 0 278.440 2.594 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346916 519827715 /nfs/dbraw/zinc/82/77/15/519827715.db2.gz IDFSHIWXRWVRJD-IAGOWNOFSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000151134339 519863957 /nfs/dbraw/zinc/86/39/57/519863957.db2.gz DKNRUKROTFICOR-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000365064748 519864096 /nfs/dbraw/zinc/86/40/96/519864096.db2.gz AXQYBBHYSXOCJN-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP CCCCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374256924 520080477 /nfs/dbraw/zinc/08/04/77/520080477.db2.gz BOHDCPLSFPBRKC-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP CCOC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000233727932 520088417 /nfs/dbraw/zinc/08/84/17/520088417.db2.gz YQACZEOKAZQARN-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CC/C=C/CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519035 520196848 /nfs/dbraw/zinc/19/68/48/520196848.db2.gz MFJLVJAMGQWAMK-SNAWJCMRSA-N 2 0 275.396 2.569 20 0 CFADRP c1ccc(CC(Cc2ccccc2)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301306 534483006 /nfs/dbraw/zinc/48/30/06/534483006.db2.gz HGIOIGAOQAOZAP-UHFFFAOYSA-N 2 0 280.415 2.649 20 0 CFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422942792 534483832 /nfs/dbraw/zinc/48/38/32/534483832.db2.gz QBLIJHCYCIBGOX-ZACQAIPSSA-N 2 0 292.398 2.715 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000423254906 534494626 /nfs/dbraw/zinc/49/46/26/534494626.db2.gz ZWMCOWAGLOAOQM-KDOFPFPSSA-N 2 0 299.393 2.899 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccncn2)cc1 ZINC000423283979 534500077 /nfs/dbraw/zinc/50/00/77/534500077.db2.gz XVKNTCKAKYWMIP-QAPCUYQASA-N 2 0 296.418 2.545 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCCCO)CC1 ZINC000182734824 520589336 /nfs/dbraw/zinc/58/93/36/520589336.db2.gz MPROOKRRYLYIED-UHFFFAOYSA-N 2 0 270.461 2.593 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000070344712 520624477 /nfs/dbraw/zinc/62/44/77/520624477.db2.gz YKAPEXBURJJOKQ-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070344710 520625334 /nfs/dbraw/zinc/62/53/34/520625334.db2.gz YKAPEXBURJJOKQ-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000076000801 520727425 /nfs/dbraw/zinc/72/74/25/520727425.db2.gz UZNBGCZBABGJQY-KRWDZBQOSA-N 2 0 292.471 2.717 20 0 CFADRP Fc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000422772641 534513595 /nfs/dbraw/zinc/51/35/95/534513595.db2.gz SQBMKZFGAVZBCF-XYPWUTKMSA-N 2 0 274.383 2.730 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C[NH3+])C(C)C)c1 ZINC000087521897 520758075 /nfs/dbraw/zinc/75/80/75/520758075.db2.gz DSYVUGMKGQAMCL-INIZCTEOSA-N 2 0 291.439 2.698 20 0 CFADRP CCCc1csc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357045692 521454564 /nfs/dbraw/zinc/45/45/64/521454564.db2.gz IAISHQWDRKXBBK-AWEZNQCLSA-N 2 0 293.480 2.917 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000360246670 521577786 /nfs/dbraw/zinc/57/77/86/521577786.db2.gz WTYHRXCWNGOPMM-UHFFFAOYSA-N 2 0 276.424 2.918 20 0 CFADRP CC[NH+]1CCC(Nc2cc[nH+]c(C)c2Cl)CC1 ZINC000310408743 521583370 /nfs/dbraw/zinc/58/33/70/521583370.db2.gz OOGZHAWTQVUTDX-UHFFFAOYSA-N 2 0 253.777 2.940 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000236929843 521618141 /nfs/dbraw/zinc/61/81/41/521618141.db2.gz DIVOVZILGDDUAW-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163867747 521646965 /nfs/dbraw/zinc/64/69/65/521646965.db2.gz LXFPJPSYIGMUCC-HZPDHXFCSA-N 2 0 269.477 2.571 20 0 CFADRP CCOC1CC(C[NH+]2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000367553781 521646978 /nfs/dbraw/zinc/64/69/78/521646978.db2.gz PUZDMSZSISFLAA-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP CCSCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309867864 521708535 /nfs/dbraw/zinc/70/85/35/521708535.db2.gz FXJXWIRPNRHDDF-MRXNPFEDSA-N 2 0 278.465 2.851 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000245422421 521719268 /nfs/dbraw/zinc/71/92/68/521719268.db2.gz ISXNMLGKLSBLKS-BBRMVZONSA-N 2 0 264.388 2.988 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000246444484 521720874 /nfs/dbraw/zinc/72/08/74/521720874.db2.gz OTRGTRGCLNJLRT-BZSNNMDCSA-N 2 0 295.515 2.674 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000246444493 521721252 /nfs/dbraw/zinc/72/12/52/521721252.db2.gz OTRGTRGCLNJLRT-KSZLIROESA-N 2 0 295.515 2.674 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923638 521918746 /nfs/dbraw/zinc/91/87/46/521918746.db2.gz LZDAZWINZIDHLU-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000063159200 521978179 /nfs/dbraw/zinc/97/81/79/521978179.db2.gz IJFWNPBJPKJIAZ-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000088868446 521983810 /nfs/dbraw/zinc/98/38/10/521983810.db2.gz GRMXNWSORPROGT-UHFFFAOYSA-N 2 0 267.442 2.581 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423316005 534605378 /nfs/dbraw/zinc/60/53/78/534605378.db2.gz BKNPBJOVAJQHME-CJNGLKHVSA-N 2 0 280.387 2.622 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423333072 534606480 /nfs/dbraw/zinc/60/64/80/534606480.db2.gz NYESVUWOBIOORD-GFCCVEGCSA-N 2 0 254.374 2.691 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423333073 534607338 /nfs/dbraw/zinc/60/73/38/534607338.db2.gz NYESVUWOBIOORD-LBPRGKRZSA-N 2 0 254.374 2.691 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000423332827 534607377 /nfs/dbraw/zinc/60/73/77/534607377.db2.gz REHFJBYJKUDHCX-MRXNPFEDSA-N 2 0 273.355 2.639 20 0 CFADRP [NH3+]CCC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000414694155 534607913 /nfs/dbraw/zinc/60/79/13/534607913.db2.gz NRHQNVFSQMTTJC-UHFFFAOYSA-N 2 0 287.382 2.614 20 0 CFADRP [NH3+]CCC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000414754483 534608193 /nfs/dbraw/zinc/60/81/93/534608193.db2.gz NSHLESZPRUDRPC-UHFFFAOYSA-N 2 0 264.388 2.962 20 0 CFADRP C[NH+](C)[C@H](CNC(=O)CCCCCC[NH3+])C1CCCCC1 ZINC000164955941 522069487 /nfs/dbraw/zinc/06/94/87/522069487.db2.gz WMBLICYHULOYGF-MRXNPFEDSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]CCC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000414707142 534616174 /nfs/dbraw/zinc/61/61/74/534616174.db2.gz MMSJRRJZXHEGRZ-UHFFFAOYSA-N 2 0 254.324 2.673 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000423175071 534616623 /nfs/dbraw/zinc/61/66/23/534616623.db2.gz CTWNZCUVNJDNLE-NSHDSACASA-N 2 0 256.802 2.815 20 0 CFADRP CC[C@H](COC)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000156226525 522258943 /nfs/dbraw/zinc/25/89/43/522258943.db2.gz GTSIQLAAUNJDBG-DOTOQJQBSA-N 2 0 278.440 2.912 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)C)cc1 ZINC000234729961 522287871 /nfs/dbraw/zinc/28/78/71/522287871.db2.gz REDVCSHEWHLMHO-MRXNPFEDSA-N 2 0 264.413 2.654 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000234755375 522288790 /nfs/dbraw/zinc/28/87/90/522288790.db2.gz RPPWOMPSXHWSPI-OCCSQVGLSA-N 2 0 298.427 2.706 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@@H]1CCOC1 ZINC000155836235 522582063 /nfs/dbraw/zinc/58/20/63/522582063.db2.gz ZGXVANWIKLPPKT-CVEARBPZSA-N 2 0 270.461 2.900 20 0 CFADRP COC1(C[NH+]2CCC(CCC[NH+](C)C)CC2)CCCC1 ZINC000361561920 522601412 /nfs/dbraw/zinc/60/14/12/522601412.db2.gz HEWJRLAVUNRRBE-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccs1 ZINC000155635529 522626300 /nfs/dbraw/zinc/62/63/00/522626300.db2.gz MLBIKCGHVZAOGG-GJZGRUSLSA-N 2 0 295.496 2.815 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226438929 522630370 /nfs/dbraw/zinc/63/03/70/522630370.db2.gz RUKOEGFPYRAWOC-SJORKVTESA-N 2 0 260.425 2.939 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000361076431 522666812 /nfs/dbraw/zinc/66/68/12/522666812.db2.gz PLQQQASPEMGVPS-HOTGVXAUSA-N 2 0 270.461 2.758 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000234802216 522669045 /nfs/dbraw/zinc/66/90/45/522669045.db2.gz RCTPOHHXQFZILA-FZMZJTMJSA-N 2 0 270.804 2.745 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000300096257 522669359 /nfs/dbraw/zinc/66/93/59/522669359.db2.gz FGYYDRGKWMLQEB-RRFJBIMHSA-N 2 0 270.461 2.935 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000097904588 534653835 /nfs/dbraw/zinc/65/38/35/534653835.db2.gz KBCLCQPTHJKMGM-LLVKDONJSA-N 2 0 254.324 2.526 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000156233882 522739593 /nfs/dbraw/zinc/73/95/93/522739593.db2.gz XIMMHEGNGJPJSK-QAPCUYQASA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(C)nn(C)c1C ZINC000161658970 522755674 /nfs/dbraw/zinc/75/56/74/522755674.db2.gz PRNQEEIVVNSRJA-XHSDSOJGSA-N 2 0 290.455 2.704 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@H]1CCSC1)C1CCCCC1 ZINC000224391149 522772460 /nfs/dbraw/zinc/77/24/60/522772460.db2.gz SHJSCIONXHYITQ-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000305066826 522810139 /nfs/dbraw/zinc/81/01/39/522810139.db2.gz JERWMDKPBHNTBS-WBVHZDCISA-N 2 0 282.472 2.734 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccs1 ZINC000150970450 522812185 /nfs/dbraw/zinc/81/21/85/522812185.db2.gz UJIUNOJXHGSEEQ-OAHLLOKOSA-N 2 0 295.496 2.815 20 0 CFADRP COCc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)ccc1OC ZINC000049553890 522939976 /nfs/dbraw/zinc/93/99/76/522939976.db2.gz HTBHUWSDBPGBII-UONOGXRCSA-N 2 0 294.439 2.832 20 0 CFADRP [NH3+]C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423285780 534677116 /nfs/dbraw/zinc/67/71/16/534677116.db2.gz YQZOTEHYPFERCV-FCGDIQPGSA-N 2 0 299.462 2.509 20 0 CFADRP COCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109891 523139757 /nfs/dbraw/zinc/13/97/57/523139757.db2.gz UWYLAZIFSWCBEB-SFHVURJKSA-N 2 0 290.451 2.867 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423106201 534689233 /nfs/dbraw/zinc/68/92/33/534689233.db2.gz OOQVCJTXUAXRQI-KURKYZTESA-N 2 0 287.451 2.833 20 0 CFADRP CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000360933400 523402126 /nfs/dbraw/zinc/40/21/26/523402126.db2.gz OGBDLZVXOOTFAI-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423093498 534712442 /nfs/dbraw/zinc/71/24/42/534712442.db2.gz HSXOGDXWUUXESF-KOZAUXTDSA-N 2 0 262.372 2.931 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000414985840 534725429 /nfs/dbraw/zinc/72/54/29/534725429.db2.gz BPDWXGBIKNKKLL-JSGCOSHPSA-N 2 0 252.789 2.947 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000162637348 523848041 /nfs/dbraw/zinc/84/80/41/523848041.db2.gz ZYHIREXJSURIKJ-KRWDZBQOSA-N 2 0 280.456 2.609 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309706593 523889999 /nfs/dbraw/zinc/88/99/99/523889999.db2.gz HZNJFEHXWYBRMF-INMHGKMJSA-N 2 0 276.424 2.522 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000340704150 523933602 /nfs/dbraw/zinc/93/36/02/523933602.db2.gz CVBSRPIYSFDWNB-QGZVFWFLSA-N 2 0 276.424 2.559 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC000336269999 523976300 /nfs/dbraw/zinc/97/63/00/523976300.db2.gz BMZYLUPEAQFJSH-MRXNPFEDSA-N 2 0 278.827 2.910 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3=CCCOC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360792023 524014960 /nfs/dbraw/zinc/01/49/60/524014960.db2.gz SEXLWMSZCWOXQL-CEXWTWQISA-N 2 0 298.430 2.568 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000336360842 524025246 /nfs/dbraw/zinc/02/52/46/524025246.db2.gz DTFYAGCNBZCMRC-UHFFFAOYSA-N 2 0 292.398 2.895 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000311540590 524047233 /nfs/dbraw/zinc/04/72/33/524047233.db2.gz IZQRVKLWQNFZID-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360611853 524053041 /nfs/dbraw/zinc/05/30/41/524053041.db2.gz IAGYIVBJMLTOCB-CQSZACIVSA-N 2 0 293.386 2.531 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(Br)cc1 ZINC000309232463 524140162 /nfs/dbraw/zinc/14/01/62/524140162.db2.gz IWKRKGKFIYCXSR-LLVKDONJSA-N 2 0 285.229 2.709 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000340712695 524149301 /nfs/dbraw/zinc/14/93/01/524149301.db2.gz QPEJDCWCNDTTQH-YJBOKZPZSA-N 2 0 290.451 2.805 20 0 CFADRP COc1ccc(Cl)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336129399 524175371 /nfs/dbraw/zinc/17/53/71/524175371.db2.gz FVRZWNXSDWWVNQ-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422786338 534768986 /nfs/dbraw/zinc/76/89/86/534768986.db2.gz QFFGZMXNMFZYRY-NVXWUHKLSA-N 2 0 292.471 2.872 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422786340 534769523 /nfs/dbraw/zinc/76/95/23/534769523.db2.gz QFFGZMXNMFZYRY-WBVHZDCISA-N 2 0 292.471 2.872 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000360976085 524262195 /nfs/dbraw/zinc/26/21/95/524262195.db2.gz RFKWERYPCPGJNG-CYBMUJFWSA-N 2 0 264.438 2.921 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000159002450 524264930 /nfs/dbraw/zinc/26/49/30/524264930.db2.gz ZGUKGMMGETUIGS-CQSZACIVSA-N 2 0 278.444 2.514 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335017532 524312548 /nfs/dbraw/zinc/31/25/48/524312548.db2.gz YTAWTNVIZLVKFZ-XJKSGUPXSA-N 2 0 273.424 2.522 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368878184 524319687 /nfs/dbraw/zinc/31/96/87/524319687.db2.gz YUPOGMXNRSKMMQ-SFXFJHKKSA-N 2 0 286.419 2.925 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368878185 524320677 /nfs/dbraw/zinc/32/06/77/524320677.db2.gz YUPOGMXNRSKMMQ-YQIFSTGGSA-N 2 0 286.419 2.925 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000334862424 524441029 /nfs/dbraw/zinc/44/10/29/524441029.db2.gz LNTQRWGCISNMPU-QZTJIDSGSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000313990171 524444468 /nfs/dbraw/zinc/44/44/68/524444468.db2.gz KIVFHZXQVVTPRO-SZMVWBNQSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Cc1cccs1 ZINC000361762989 524498253 /nfs/dbraw/zinc/49/82/53/524498253.db2.gz FYLSADTYKPIVLF-GZBFAFLISA-N 2 0 266.454 2.857 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525702 524529351 /nfs/dbraw/zinc/52/93/51/524529351.db2.gz QHFJJNALLFWRQS-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000157505895 524550916 /nfs/dbraw/zinc/55/09/16/524550916.db2.gz GYKIMNBNAYEPRA-HNNXBMFYSA-N 2 0 286.423 2.513 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414696900 534791542 /nfs/dbraw/zinc/79/15/42/534791542.db2.gz BRNYCRMTBRMKRS-CMPLNLGQSA-N 2 0 267.442 2.664 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000312159660 524562217 /nfs/dbraw/zinc/56/22/17/524562217.db2.gz MLEBDDBTXDCWKP-XJKSGUPXSA-N 2 0 269.392 2.665 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000360835930 524563873 /nfs/dbraw/zinc/56/38/73/524563873.db2.gz POIUYVMJPWVUFH-YOEHRIQHSA-N 2 0 298.434 2.517 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000309927567 524584390 /nfs/dbraw/zinc/58/43/90/524584390.db2.gz UMRKEFGERGZCOC-HNNXBMFYSA-N 2 0 284.403 2.950 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000226071249 524622469 /nfs/dbraw/zinc/62/24/69/524622469.db2.gz GMUCOISOJUDGLF-ILXRZTDVSA-N 2 0 270.461 2.684 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000335241838 524670760 /nfs/dbraw/zinc/67/07/60/524670760.db2.gz OOZHZMHEWUXSET-CVEARBPZSA-N 2 0 289.423 2.690 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000422908457 534803255 /nfs/dbraw/zinc/80/32/55/534803255.db2.gz MOZSOJDIESFFSB-STQMWFEESA-N 2 0 267.442 2.504 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1Cl ZINC000334858741 524783049 /nfs/dbraw/zinc/78/30/49/524783049.db2.gz UPJWDYSXZHMZGB-RISCZKNCSA-N 2 0 252.789 2.736 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1F ZINC000335023906 524783224 /nfs/dbraw/zinc/78/32/24/524783224.db2.gz LBAUYYUGGMLPRR-ABAIWWIYSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000360687301 524805449 /nfs/dbraw/zinc/80/54/49/524805449.db2.gz BIKAVCAUTZCFCU-YOEHRIQHSA-N 2 0 283.419 2.850 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000311320581 524845240 /nfs/dbraw/zinc/84/52/40/524845240.db2.gz AEOCDDLQNZKDLL-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339409229 524862050 /nfs/dbraw/zinc/86/20/50/524862050.db2.gz XYDMQJLSDJXLMX-HOTGVXAUSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000334980919 524867792 /nfs/dbraw/zinc/86/77/92/524867792.db2.gz QXDGBJRJSDBEPQ-DOTOQJQBSA-N 2 0 288.435 2.743 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000334852865 524888092 /nfs/dbraw/zinc/88/80/92/524888092.db2.gz BGDMESPDUIQUBE-SMDDNHRTSA-N 2 0 252.789 2.736 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000168619003 525012952 /nfs/dbraw/zinc/01/29/52/525012952.db2.gz JPGNGDCFICMTPL-ZYHUDNBSSA-N 2 0 288.313 2.754 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000334857871 525093502 /nfs/dbraw/zinc/09/35/02/525093502.db2.gz PPOFEGWXIZALIW-RISCZKNCSA-N 2 0 260.406 2.989 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309673883 525176314 /nfs/dbraw/zinc/17/63/14/525176314.db2.gz VBKJSGBTCWGGSI-PVAVHDDUSA-N 2 0 290.476 2.850 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309673878 525178320 /nfs/dbraw/zinc/17/83/20/525178320.db2.gz VBKJSGBTCWGGSI-DJIMGWMZSA-N 2 0 290.476 2.850 20 0 CFADRP C[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000335007637 525244334 /nfs/dbraw/zinc/24/43/34/525244334.db2.gz HRXKQVIGRQSDIJ-HZPDHXFCSA-N 2 0 262.372 2.874 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000335051138 525269760 /nfs/dbraw/zinc/26/97/60/525269760.db2.gz CSELHBVZRUINJM-CJNGLKHVSA-N 2 0 273.424 2.617 20 0 CFADRP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2[nH+]1 ZINC000316716329 525275538 /nfs/dbraw/zinc/27/55/38/525275538.db2.gz DUWOLYQHQOMLJN-HUUCEWRRSA-N 2 0 297.402 2.818 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361176948 525291020 /nfs/dbraw/zinc/29/10/20/525291020.db2.gz YPVJXADQSDDQMX-CVEARBPZSA-N 2 0 276.424 2.694 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1F ZINC000045663661 525318588 /nfs/dbraw/zinc/31/85/88/525318588.db2.gz BDMAJPCIGACDRC-LBPRGKRZSA-N 2 0 268.376 2.827 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1nc2ccccc2n1C ZINC000045663207 525333836 /nfs/dbraw/zinc/33/38/36/525333836.db2.gz SADMPEAYAIWUMK-ZDUSSCGKSA-N 2 0 274.412 2.566 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCOC1 ZINC000157857892 525334845 /nfs/dbraw/zinc/33/48/45/525334845.db2.gz DHOZCYALLUDNBM-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccc(F)cn2)CC[NH+](C)CC1 ZINC000353633089 525336658 /nfs/dbraw/zinc/33/66/58/525336658.db2.gz VYMNTFIZLYMEHL-LBPRGKRZSA-N 2 0 297.443 2.699 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000231786895 525357876 /nfs/dbraw/zinc/35/78/76/525357876.db2.gz NDQMZFQGLHTDOS-NSHDSACASA-N 2 0 288.794 2.708 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000173428049 525401103 /nfs/dbraw/zinc/40/11/03/525401103.db2.gz USLRWZYNADYWKD-HZPDHXFCSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2c(c1)COC2 ZINC000361174576 525426296 /nfs/dbraw/zinc/42/62/96/525426296.db2.gz ZTDSSAZDVVREMH-CYBMUJFWSA-N 2 0 274.408 2.709 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)oc1C ZINC000337376699 525459776 /nfs/dbraw/zinc/45/97/76/525459776.db2.gz ASBRMWXDVLFERM-CQSZACIVSA-N 2 0 293.455 2.573 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)no1 ZINC000340508382 525463449 /nfs/dbraw/zinc/46/34/49/525463449.db2.gz UFSAHZVJBMNCTL-GFCCVEGCSA-N 2 0 263.385 2.508 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(OC(F)F)c1 ZINC000311017274 525472108 /nfs/dbraw/zinc/47/21/08/525472108.db2.gz YHWUIJXAOWOSQL-VHSXEESVSA-N 2 0 258.312 2.533 20 0 CFADRP CSCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000069427847 525508233 /nfs/dbraw/zinc/50/82/33/525508233.db2.gz LRQHCEOUZJRGKF-UHFFFAOYSA-N 2 0 278.465 2.646 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)C[C@H]1CC[NH+](C)C1 ZINC000459500016 536409494 /nfs/dbraw/zinc/40/94/94/536409494.db2.gz DFRHOZFOXWHHCI-CQSZACIVSA-N 2 0 266.816 2.766 20 0 CFADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCC[NH3+] ZINC000423315392 534879607 /nfs/dbraw/zinc/87/96/07/534879607.db2.gz AQUDMHUFSGWOKU-JTQLQIEISA-N 2 0 255.431 2.964 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000334866544 525844728 /nfs/dbraw/zinc/84/47/28/525844728.db2.gz XMPDDRHPIJQIQY-GOEBONIOSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@@]1(C[NH2+]CC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309924286 525847532 /nfs/dbraw/zinc/84/75/32/525847532.db2.gz WXALOQVCPQPICE-KRWDZBQOSA-N 2 0 258.409 2.898 20 0 CFADRP CS[C@H]1CCCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000162583719 525902317 /nfs/dbraw/zinc/90/23/17/525902317.db2.gz BOZUTXIHXQZZCU-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000150947011 525917551 /nfs/dbraw/zinc/91/75/51/525917551.db2.gz ZKTZKFSVCXPSNS-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP Cc1cnc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)s1 ZINC000336215711 526022217 /nfs/dbraw/zinc/02/22/17/526022217.db2.gz COLKNENRPLURFF-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP FC1(F)CC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000336184984 526272088 /nfs/dbraw/zinc/27/20/88/526272088.db2.gz KMCKVASSPQKDHD-ZFWWWQNUSA-N 2 0 284.394 2.980 20 0 CFADRP O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163273349 526294562 /nfs/dbraw/zinc/29/45/62/526294562.db2.gz HWLAUJBPJCHAAF-JKSUJKDBSA-N 2 0 292.423 2.653 20 0 CFADRP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]C3CC[NH2+]CC3)C2)c1 ZINC000335027566 526309344 /nfs/dbraw/zinc/30/93/44/526309344.db2.gz GINGMZNYDQAOPJ-FUKZOUPISA-N 2 0 266.335 2.552 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc12 ZINC000334868823 526396205 /nfs/dbraw/zinc/39/62/05/526396205.db2.gz LRCLMNSUQIQYFU-RDJZCZTQSA-N 2 0 284.407 2.527 20 0 CFADRP c1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)noc1-c1ccccc1 ZINC000336129103 526398182 /nfs/dbraw/zinc/39/81/82/526398182.db2.gz GYRMEFUNAKZWBP-UHFFFAOYSA-N 2 0 297.402 2.917 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000360453916 526419761 /nfs/dbraw/zinc/41/97/61/526419761.db2.gz HDKGJCFRHUFAOV-SFHVURJKSA-N 2 0 287.451 2.965 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000309717060 526469718 /nfs/dbraw/zinc/46/97/18/526469718.db2.gz LCZRZSPTARRSCS-QZTJIDSGSA-N 2 0 288.435 2.525 20 0 CFADRP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000307564955 526472778 /nfs/dbraw/zinc/47/27/78/526472778.db2.gz DULSPMFNURPKKR-IXDOHACOSA-N 2 0 256.393 2.603 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC000262141186 526546835 /nfs/dbraw/zinc/54/68/35/526546835.db2.gz ZDUCWFBPZAWEBP-IBGZPJMESA-N 2 0 293.414 2.934 20 0 CFADRP Cc1nc(C)c(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000227330772 526723392 /nfs/dbraw/zinc/72/33/92/526723392.db2.gz OQFHWGQSOJFDCK-UHFFFAOYSA-N 2 0 267.442 2.581 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000422740125 526831436 /nfs/dbraw/zinc/83/14/36/526831436.db2.gz MLUVYDVJRDBLSV-FUNVUKJBSA-N 2 0 293.480 2.856 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414812458 526986095 /nfs/dbraw/zinc/98/60/95/526986095.db2.gz RIMHITYCDIYYBZ-CYBMUJFWSA-N 2 0 297.402 2.955 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422803189 527083122 /nfs/dbraw/zinc/08/31/22/527083122.db2.gz IHVXAOFROGQAEY-YGONEPDPSA-N 2 0 289.423 2.813 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000422812341 527083846 /nfs/dbraw/zinc/08/38/46/527083846.db2.gz XMKWESKGYJDHIL-ZENOOKHLSA-N 2 0 289.423 2.684 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)cc2s1 ZINC000334839798 527138778 /nfs/dbraw/zinc/13/87/78/527138778.db2.gz BDTFPGVZMUSOQQ-GXFFZTMASA-N 2 0 275.421 2.692 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000334867481 527141820 /nfs/dbraw/zinc/14/18/20/527141820.db2.gz XFHMOIWIUJRIKE-TUHYSUIHSA-N 2 0 296.361 2.654 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000166467308 527177245 /nfs/dbraw/zinc/17/72/45/527177245.db2.gz KZICWDSVBFECEX-UHFFFAOYSA-N 2 0 264.266 2.673 20 0 CFADRP [NH3+]CCC[N@H+](CCOc1ccccc1)Cc1ccccc1 ZINC000230024972 527179294 /nfs/dbraw/zinc/17/92/94/527179294.db2.gz WRGHXRCQKFVAOC-UHFFFAOYSA-N 2 0 284.403 2.916 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000334846216 527351344 /nfs/dbraw/zinc/35/13/44/527351344.db2.gz NKVQWBGLKYJPTQ-HUUCEWRRSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCC2([NH3+])CCCCCC2)c2ccccc21 ZINC000335056123 527377009 /nfs/dbraw/zinc/37/70/09/527377009.db2.gz BHEJITHQZIGWHB-CVEARBPZSA-N 2 0 273.424 2.773 20 0 CFADRP O[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364842196 527676911 /nfs/dbraw/zinc/67/69/11/527676911.db2.gz CVOYPHGHHGIQSK-FUHWJXTLSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000422873540 527695479 /nfs/dbraw/zinc/69/54/79/527695479.db2.gz LMQAUQXLGCBQLM-BRWVUGGUSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422837081 527725780 /nfs/dbraw/zinc/72/57/80/527725780.db2.gz LGPPMUJUISOGOB-ZWKOTPCHSA-N 3 0 295.515 2.994 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(C)nc2C)C1 ZINC000111361357 527744469 /nfs/dbraw/zinc/74/44/69/527744469.db2.gz HUBREAWNAHXVNV-GWCFXTLKSA-N 2 0 267.442 2.752 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423328173 527810482 /nfs/dbraw/zinc/81/04/82/527810482.db2.gz AJHJJUHMZAIHQY-FVQBIDKESA-N 2 0 250.430 2.957 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422735152 527848230 /nfs/dbraw/zinc/84/82/30/527848230.db2.gz DKQGFZAEQQIMSQ-YJBOKZPZSA-N 3 0 289.467 2.616 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@@H]1Oc1ccccc1 ZINC000423215596 527869431 /nfs/dbraw/zinc/86/94/31/527869431.db2.gz QVGFLTUDDORLGY-OIISXLGYSA-N 2 0 288.435 2.822 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@@H]1Oc1ccccc1 ZINC000423325636 527871822 /nfs/dbraw/zinc/87/18/22/527871822.db2.gz QJMCJXZIJYQHSW-XHSDSOJGSA-N 2 0 274.408 2.559 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414860270 527884488 /nfs/dbraw/zinc/88/44/88/527884488.db2.gz PBBYAIUCGGHTHW-HUUCEWRRSA-N 2 0 268.445 2.831 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423118615 527893963 /nfs/dbraw/zinc/89/39/63/527893963.db2.gz BNKDEARKOKJZTK-FXUDXRNXSA-N 2 0 274.408 2.702 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423126817 527894541 /nfs/dbraw/zinc/89/45/41/527894541.db2.gz OVYSEOKVGOECLJ-BSWAZPDLSA-N 2 0 288.435 2.950 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C12CCCCC2 ZINC000422921517 527947518 /nfs/dbraw/zinc/94/75/18/527947518.db2.gz QFPVJTRNXACSSS-SOUVJXGZSA-N 2 0 268.445 2.831 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422874220 527961067 /nfs/dbraw/zinc/96/10/67/527961067.db2.gz CHYDXRHLURSBFO-STQMWFEESA-N 2 0 277.412 2.641 20 0 CFADRP CC1(C[NH2+]C2CCc3ccccc3CC2)CC[NH2+]CC1 ZINC000423324678 527980007 /nfs/dbraw/zinc/98/00/07/527980007.db2.gz IWJAGAQCLAEJBQ-UHFFFAOYSA-N 2 0 272.436 2.913 20 0 CFADRP CC1(C[NH2+]Cc2cc(Cl)cs2)CC[NH2+]CC1 ZINC000414899046 527982081 /nfs/dbraw/zinc/98/20/81/527982081.db2.gz GRQHKMUFSQQWQG-UHFFFAOYSA-N 2 0 258.818 2.881 20 0 CFADRP CC1(C[NH2+]Cc2cnc(C3CCC3)s2)CC[NH2+]CC1 ZINC000414897054 527982679 /nfs/dbraw/zinc/98/26/79/527982679.db2.gz CZWDMJGJOIAUOQ-UHFFFAOYSA-N 2 0 279.453 2.890 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423125604 527990809 /nfs/dbraw/zinc/99/08/09/527990809.db2.gz AKJRFELAMASNSA-KBRIMQKVSA-N 2 0 275.440 2.841 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423141516 527991328 /nfs/dbraw/zinc/99/13/28/527991328.db2.gz QMWDFVMUHHSRLN-JFIYKMOQSA-N 2 0 291.483 2.655 20 0 CFADRP CCCN(CCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000414707328 528070780 /nfs/dbraw/zinc/07/07/80/528070780.db2.gz PHQJFCCJAOODIY-GOSISDBHSA-N 2 0 289.467 2.712 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)C12CCC2 ZINC000423206948 528097101 /nfs/dbraw/zinc/09/71/01/528097101.db2.gz XIVYWIASSDPZBU-CABCVRRESA-N 2 0 280.456 2.975 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422942491 528124121 /nfs/dbraw/zinc/12/41/21/528124121.db2.gz KMGMNDXFOSAEIH-KGLIPLIRSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000414847164 528144408 /nfs/dbraw/zinc/14/44/08/528144408.db2.gz OKNHFMZEYFCFRE-DLBZAZTESA-N 2 0 275.440 2.542 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423243055 528144845 /nfs/dbraw/zinc/14/48/45/528144845.db2.gz MPTXQRRNWRCZDQ-BMGDILEWSA-N 2 0 289.467 2.788 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415002540 528162981 /nfs/dbraw/zinc/16/29/81/528162981.db2.gz DVDKHPIUYNYRJG-ZWKOTPCHSA-N 2 0 288.435 2.952 20 0 CFADRP CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC[NH3+])cc1OC ZINC000414884965 528172604 /nfs/dbraw/zinc/17/26/04/528172604.db2.gz OSPXEDLZHHXODS-JTQLQIEISA-N 2 0 286.803 2.574 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000422840625 528172987 /nfs/dbraw/zinc/17/29/87/528172987.db2.gz UFBNBCNFBXTNCT-OWCLPIDISA-N 3 0 269.477 2.604 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414060775 528187728 /nfs/dbraw/zinc/18/77/28/528187728.db2.gz ADVAEUNCKWJRTN-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccoc2C)CC1 ZINC000414325217 528187948 /nfs/dbraw/zinc/18/79/48/528187948.db2.gz JXSQBBRZPNJEDD-UHFFFAOYSA-N 2 0 250.386 2.800 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422697830 528195513 /nfs/dbraw/zinc/19/55/13/528195513.db2.gz WJIPTXXQUNGFOZ-MAUKXSAKSA-N 2 0 289.467 2.759 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422959291 528205563 /nfs/dbraw/zinc/20/55/63/528205563.db2.gz RJHCMJCQVXXWAR-ZIAGYGMSSA-N 2 0 264.413 2.904 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000442921434 528214894 /nfs/dbraw/zinc/21/48/94/528214894.db2.gz NFYYIUCCTKOJGT-GFCCVEGCSA-N 2 0 267.442 2.827 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861457 528247335 /nfs/dbraw/zinc/24/73/35/528247335.db2.gz MRQQVLIRZDLAFR-KBMXLJTQSA-N 2 0 295.496 2.861 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414929451 528256172 /nfs/dbraw/zinc/25/61/72/528256172.db2.gz RKPKQSQWHWJTIF-LSDHHAIUSA-N 2 0 262.397 2.833 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccsc1 ZINC000422868984 528280521 /nfs/dbraw/zinc/28/05/21/528280521.db2.gz WLISRPQPHIJZLU-FVQBIDKESA-N 2 0 295.496 2.848 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OC ZINC000422738482 528284811 /nfs/dbraw/zinc/28/48/11/528284811.db2.gz YZDPBMCXUOAZFB-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414792360 528350832 /nfs/dbraw/zinc/35/08/32/528350832.db2.gz CDOXPCKWIZTXPI-DGCLKSJQSA-N 2 0 267.442 2.874 20 0 CFADRP CCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177484159 528454472 /nfs/dbraw/zinc/45/44/72/528454472.db2.gz RLGUGFFNDDZJBM-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414904665 528456850 /nfs/dbraw/zinc/45/68/50/528456850.db2.gz NRMXBBCGUJCMLD-INIZCTEOSA-N 2 0 262.397 2.565 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000415018824 528457426 /nfs/dbraw/zinc/45/74/26/528457426.db2.gz CQYLTDKQMGCCCY-SHTZXODSSA-N 2 0 276.424 2.940 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1F ZINC000414903276 528457785 /nfs/dbraw/zinc/45/77/85/528457785.db2.gz IESBMXUKAPBFEZ-MRXNPFEDSA-N 2 0 280.387 2.704 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414792696 528465684 /nfs/dbraw/zinc/46/56/84/528465684.db2.gz CRNBMXOLHDTKQE-CABCVRRESA-N 2 0 292.423 2.701 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422742146 528467563 /nfs/dbraw/zinc/46/75/63/528467563.db2.gz PMZLNCJJPLNMKD-FCLJQHQZSA-N 2 0 279.472 2.514 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422737147 528469192 /nfs/dbraw/zinc/46/91/92/528469192.db2.gz HQBHMYSVVRRMHA-ZACQAIPSSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423335828 528487979 /nfs/dbraw/zinc/48/79/79/528487979.db2.gz XKNNOCKPIMBUGX-DLBZAZTESA-N 2 0 276.424 2.555 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000414867252 528509664 /nfs/dbraw/zinc/50/96/64/528509664.db2.gz IAONZFPNEMPIHR-DOTOQJQBSA-N 2 0 281.488 2.619 20 0 CFADRP CC[N@H+](CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000422875765 528513055 /nfs/dbraw/zinc/51/30/55/528513055.db2.gz DFLUUAXDAHXLDZ-HOTGVXAUSA-N 2 0 269.477 2.617 20 0 CFADRP CCN(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1C ZINC000422887432 528514295 /nfs/dbraw/zinc/51/42/95/528514295.db2.gz YPVJWDHQDAEJPR-GJZGRUSLSA-N 2 0 263.429 2.537 20 0 CFADRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000422875177 528515404 /nfs/dbraw/zinc/51/54/04/528515404.db2.gz CDQNMYBQLMIWQP-BRWVUGGUSA-N 2 0 281.488 2.617 20 0 CFADRP CCN(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1C ZINC000422887434 528517208 /nfs/dbraw/zinc/51/72/08/528517208.db2.gz YPVJWDHQDAEJPR-LSDHHAIUSA-N 2 0 263.429 2.537 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414876840 528517325 /nfs/dbraw/zinc/51/73/25/528517325.db2.gz WNHQQEZYNDROGC-QWRGUYRKSA-N 2 0 252.324 2.697 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414874920 528517903 /nfs/dbraw/zinc/51/79/03/528517903.db2.gz TVAARLFRDIAPPT-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP CCCCOC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420293648 528571596 /nfs/dbraw/zinc/57/15/96/528571596.db2.gz AATIHAMINNGYAV-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cn1 ZINC000414184249 528579143 /nfs/dbraw/zinc/57/91/43/528579143.db2.gz NSFJUODWFRJBQB-ZDUSSCGKSA-N 2 0 283.379 2.963 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423308325 528585615 /nfs/dbraw/zinc/58/56/15/528585615.db2.gz XLHYMOHQKPPVIT-CQSZACIVSA-N 2 0 252.789 2.846 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccnc1 ZINC000423349102 528588457 /nfs/dbraw/zinc/58/84/57/528588457.db2.gz VDBWUDIYNSUECJ-CVEARBPZSA-N 2 0 261.413 2.758 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000422789747 528597515 /nfs/dbraw/zinc/59/75/15/528597515.db2.gz SJUHOLAFOBBZLP-XHDPSFHLSA-N 2 0 250.361 2.720 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422697915 528597715 /nfs/dbraw/zinc/59/77/15/528597715.db2.gz WUGWITIDIGAPJV-UONOGXRCSA-N 2 0 264.413 2.829 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000415012095 528599310 /nfs/dbraw/zinc/59/93/10/528599310.db2.gz ILZPVLGQIUPYOT-KGLIPLIRSA-N 2 0 266.433 2.502 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414705714 528606095 /nfs/dbraw/zinc/60/60/95/528606095.db2.gz XGSCGJGOYFHPLS-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1 ZINC000423276696 528607341 /nfs/dbraw/zinc/60/73/41/528607341.db2.gz OTRQHEDDSQKEGV-STQMWFEESA-N 2 0 250.386 2.591 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420299914 528609900 /nfs/dbraw/zinc/60/99/00/528609900.db2.gz JRNQGCWMYDYMBR-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CCCOc1c(C[NH2+][C@H](C)CC[NH3+])cccc1OCC ZINC000414877450 528613100 /nfs/dbraw/zinc/61/31/00/528613100.db2.gz FXSXIAXKLDGBEF-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)CC[NH2+]CC1 ZINC000423164102 528613146 /nfs/dbraw/zinc/61/31/46/528613146.db2.gz NVUKTTZZWIYTIP-KBPBESRZSA-N 2 0 298.471 2.722 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)C(C)(C)C)CC[NH2+]CC1 ZINC000422858672 528614552 /nfs/dbraw/zinc/61/45/52/528614552.db2.gz IROJEBCUOHQXJL-UONOGXRCSA-N 2 0 298.471 2.722 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422815420 528636785 /nfs/dbraw/zinc/63/67/85/528636785.db2.gz BOTPTFPBKDCQHW-GZNJTBKBSA-N 2 0 280.456 2.843 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423321085 528636978 /nfs/dbraw/zinc/63/69/78/528636978.db2.gz GCEJWIRRHPVKNW-HUUCEWRRSA-N 2 0 282.472 2.950 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000423245496 528642328 /nfs/dbraw/zinc/64/23/28/528642328.db2.gz JBSJGDLNNYPDKG-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422815421 528651982 /nfs/dbraw/zinc/65/19/82/528651982.db2.gz BOTPTFPBKDCQHW-YKUJZXIWSA-N 2 0 280.456 2.843 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000414792225 528670961 /nfs/dbraw/zinc/67/09/61/528670961.db2.gz BYMUHBRVLGQPLH-DGCLKSJQSA-N 2 0 267.442 2.559 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414807918 528671521 /nfs/dbraw/zinc/67/15/21/528671521.db2.gz RSRJBOVAVMJMNR-TZMCWYRMSA-N 2 0 281.469 2.949 20 0 CFADRP CC(C)n1nccc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414812436 528678522 /nfs/dbraw/zinc/67/85/22/528678522.db2.gz KZWHPTJNCUVTNP-ZDUSSCGKSA-N 2 0 272.396 2.774 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538432 528683718 /nfs/dbraw/zinc/68/37/18/528683718.db2.gz GHWQAEKACNTEGF-QMHWVQJVSA-N 2 0 250.430 2.789 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000422828221 528688594 /nfs/dbraw/zinc/68/85/94/528688594.db2.gz NYOHJAHFMZWKGQ-STQMWFEESA-N 2 0 280.412 2.699 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422746011 528733003 /nfs/dbraw/zinc/73/30/03/528733003.db2.gz YTNXHFONIHGKAL-ZFWWWQNUSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)CCCC[NH3+])CCO1 ZINC000415012160 528779687 /nfs/dbraw/zinc/77/96/87/528779687.db2.gz IUVCANHDUCUART-KFWWJZLASA-N 2 0 256.434 2.545 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414714969 528793129 /nfs/dbraw/zinc/79/31/29/528793129.db2.gz WVUCSWCCVHKIGO-ZBFHGGJFSA-N 2 0 276.424 2.905 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422818551 528855962 /nfs/dbraw/zinc/85/59/62/528855962.db2.gz KQBUZLOAMNAMRO-KURKYZTESA-N 2 0 295.515 2.994 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000191495995 528863960 /nfs/dbraw/zinc/86/39/60/528863960.db2.gz FGWSOWGOSZTNOC-MRXNPFEDSA-N 2 0 292.471 2.642 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422749090 528914421 /nfs/dbraw/zinc/91/44/21/528914421.db2.gz XMLGVWDYGSICEJ-LXTVHRRPSA-N 2 0 256.434 2.545 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000414811976 528949734 /nfs/dbraw/zinc/94/97/34/528949734.db2.gz QMGHWRGOVLTRHA-LBPRGKRZSA-N 2 0 295.402 2.650 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423289056 528951878 /nfs/dbraw/zinc/95/18/78/528951878.db2.gz VXSIOKBNXSTKMQ-ZIAGYGMSSA-N 2 0 278.444 2.553 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000414808121 528952519 /nfs/dbraw/zinc/95/25/19/528952519.db2.gz KFKVKXUYKGTNMF-GFCCVEGCSA-N 2 0 295.402 2.650 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423304025 528957330 /nfs/dbraw/zinc/95/73/30/528957330.db2.gz YCCOJUZBSIOFKW-KURKYZTESA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)c2cccnc2)CC1 ZINC000414330357 529000372 /nfs/dbraw/zinc/00/03/72/529000372.db2.gz PMRSKWIZBKMXCJ-UHFFFAOYSA-N 2 0 275.440 2.822 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422913954 529004011 /nfs/dbraw/zinc/00/40/11/529004011.db2.gz ZNZWNHKDSFFPRN-ZJPYXAASSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCCCCC1 ZINC000422963287 529015222 /nfs/dbraw/zinc/01/52/22/529015222.db2.gz IDGPTRSRGNJLOB-KSZLIROESA-N 2 0 295.515 2.865 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829695 529015633 /nfs/dbraw/zinc/01/56/33/529015633.db2.gz HRSIOFIDVRNNAU-PVAVHDDUSA-N 2 0 275.440 2.941 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CCCC[NH3+] ZINC000423319979 529027815 /nfs/dbraw/zinc/02/78/15/529027815.db2.gz FXAHEOKFRNASPI-INIZCTEOSA-N 2 0 264.413 2.556 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423285702 529070060 /nfs/dbraw/zinc/07/00/60/529070060.db2.gz ZOFPZQBPMUCZLB-ZACQAIPSSA-N 2 0 290.451 2.943 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423280440 529070767 /nfs/dbraw/zinc/07/07/67/529070767.db2.gz UEMQKCMCVRXXBL-NUEKZKHPSA-N 2 0 261.413 2.681 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414790495 529071041 /nfs/dbraw/zinc/07/10/41/529071041.db2.gz GRPWANWXSBXRTB-BXUZGUMPSA-N 2 0 299.256 2.953 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423263866 529072497 /nfs/dbraw/zinc/07/24/97/529072497.db2.gz BGURWCLOSSJVNC-IAGOWNOFSA-N 2 0 278.440 2.801 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422774974 529125456 /nfs/dbraw/zinc/12/54/56/529125456.db2.gz ZFPPAOVLHOURSP-DCGLDWPTSA-N 2 0 292.423 2.870 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193123647 529143586 /nfs/dbraw/zinc/14/35/86/529143586.db2.gz OTLQSJROYYDBOK-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1OC ZINC000423346434 529158535 /nfs/dbraw/zinc/15/85/35/529158535.db2.gz PFBXLOSSPOUCSL-OAHLLOKOSA-N 2 0 260.381 2.656 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000423187579 529161779 /nfs/dbraw/zinc/16/17/79/529161779.db2.gz KWKNUPHCGRSZBH-GFCCVEGCSA-N 2 0 276.302 2.975 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423245715 529168716 /nfs/dbraw/zinc/16/87/16/529168716.db2.gz JGCZWDVETGBQLZ-UKRRQHHQSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423251210 529168960 /nfs/dbraw/zinc/16/89/60/529168960.db2.gz RPGAWSLWKCIORT-CZUORRHYSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423177769 529176600 /nfs/dbraw/zinc/17/66/00/529176600.db2.gz HVZYGNDJWFIEEX-OWLYRPNTSA-N 2 0 288.435 2.919 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422820350 529213632 /nfs/dbraw/zinc/21/36/32/529213632.db2.gz QBQFWQCINVIGGB-MQAAVTGUSA-N 2 0 268.470 2.923 20 0 CFADRP CCS[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422820351 529231307 /nfs/dbraw/zinc/23/13/07/529231307.db2.gz QBQFWQCINVIGGB-WQKZHXONSA-N 2 0 268.470 2.923 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422728167 529273875 /nfs/dbraw/zinc/27/38/75/529273875.db2.gz IUEBVAMGLDLIQB-BRSBDYLESA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422727980 529274160 /nfs/dbraw/zinc/27/41/60/529274160.db2.gz IKPUJFIQXXUNOQ-ZTFGCOKTSA-N 2 0 287.451 2.985 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])N1CCc2ccccc2C1 ZINC000422814116 529370177 /nfs/dbraw/zinc/37/01/77/529370177.db2.gz ZPJMXZJGNCKVQB-CRAIPNDOSA-N 2 0 289.467 2.540 20 0 CFADRP CC1(C)Cc2cc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000435386688 534945404 /nfs/dbraw/zinc/94/54/04/534945404.db2.gz VDEPPVGSPGYSDV-BPUTZDHNSA-N 2 0 286.419 2.569 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCCC2)CC1 ZINC000449739314 535161865 /nfs/dbraw/zinc/16/18/65/535161865.db2.gz KBZCNFPMFGDZGF-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658129 535250714 /nfs/dbraw/zinc/25/07/14/535250714.db2.gz JRJRDGMLJHJPCG-GOEBONIOSA-N 2 0 273.380 2.628 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2cscn2)CC1 ZINC000450260977 535497380 /nfs/dbraw/zinc/49/73/80/535497380.db2.gz GDZQCLOWVIATJZ-UHFFFAOYSA-N 2 0 281.469 2.739 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)[C@@H](C)C1 ZINC000433124419 535519030 /nfs/dbraw/zinc/51/90/30/535519030.db2.gz CEFIJGUSLZKQCB-GOEBONIOSA-N 2 0 282.472 2.902 20 0 CFADRP CCCn1nc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000459736743 535624505 /nfs/dbraw/zinc/62/45/05/535624505.db2.gz QTHQFWANGCPPTA-MRXNPFEDSA-N 2 0 292.471 2.731 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447540787 535698796 /nfs/dbraw/zinc/69/87/96/535698796.db2.gz KMCJZSCUEULSAR-OAHLLOKOSA-N 2 0 293.455 2.575 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCC1 ZINC000453089652 535703751 /nfs/dbraw/zinc/70/37/51/535703751.db2.gz BIYREPYBNQMRPR-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H](C)C1 ZINC000449738958 535768466 /nfs/dbraw/zinc/76/84/66/535768466.db2.gz HIZDHJUGFJYNSV-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@H+](Cc1ccccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435381754 535790245 /nfs/dbraw/zinc/79/02/45/535790245.db2.gz VQFMGAXKTIMHMU-OAHLLOKOSA-N 2 0 262.397 2.659 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000237060202 536036566 /nfs/dbraw/zinc/03/65/66/536036566.db2.gz SBLFXHSPZKYBRL-KRWDZBQOSA-N 2 0 297.402 2.777 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246106202 545529036 /nfs/dbraw/zinc/52/90/36/545529036.db2.gz MLQKFQKFWCRIJV-HOCLYGCPSA-N 2 0 275.440 2.951 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000754041897 574065427 /nfs/dbraw/zinc/06/54/27/574065427.db2.gz BVXJPQRDJICEKA-UHFFFAOYSA-N 2 0 290.451 2.867 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000155179343 574072327 /nfs/dbraw/zinc/07/23/27/574072327.db2.gz VTRPAKUBOGYJCO-XNRPHZJLSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]CCCCCCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754463165 574097035 /nfs/dbraw/zinc/09/70/35/574097035.db2.gz FNSQEOZQNNSTQM-CVEARBPZSA-N 2 0 282.472 2.782 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC2OCCCO2)CC1 ZINC000754654072 574110740 /nfs/dbraw/zinc/11/07/40/574110740.db2.gz VBMVFRLIQRYHEJ-UHFFFAOYSA-N 2 0 298.471 2.583 20 0 CFADRP CC(C)c1cnc(CN2CCC[C@@H](n3ccnc3)C2)o1 ZINC000733309318 574219748 /nfs/dbraw/zinc/21/97/48/574219748.db2.gz JRKZDNCXQPBVBS-CYBMUJFWSA-N 2 0 274.368 2.832 20 0 CFADRP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCN(C)C2)ccc1OC ZINC000729681665 574227837 /nfs/dbraw/zinc/22/78/37/574227837.db2.gz HJRVYYXUOXTRQY-DZGCQCFKSA-N 2 0 292.423 2.666 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C/C=C(/C)C(=O)OC)CC1 ZINC000748817317 574268557 /nfs/dbraw/zinc/26/85/57/574268557.db2.gz MBUZJBMHSNPKDM-CHHVJCJISA-N 2 0 296.455 2.550 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CC2(Cl)Cl)[C@@H](C)C1 ZINC000749349939 574290244 /nfs/dbraw/zinc/29/02/44/574290244.db2.gz DNKYDRYDDBXMDE-SRVKXCTJSA-N 2 0 279.255 2.842 20 0 CFADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CSC3)C2)cc1 ZINC000396463015 574355272 /nfs/dbraw/zinc/35/52/72/574355272.db2.gz QUYOPNQKROFGDC-INIZCTEOSA-N 2 0 290.476 2.994 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396469299 574355685 /nfs/dbraw/zinc/35/56/85/574355685.db2.gz WAEURJCXNKKTHP-YOEHRIQHSA-N 2 0 276.424 2.694 20 0 CFADRP Cc1cc(NC2CCC([NH+]3CCCCC3)CC2)nc(N)[nH+]1 ZINC000751110550 574369424 /nfs/dbraw/zinc/36/94/24/574369424.db2.gz AHCJTWGTAPDSLQ-UHFFFAOYSA-N 2 0 289.427 2.576 20 0 CFADRP CC(C)(C)C(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000753747846 574409586 /nfs/dbraw/zinc/40/95/86/574409586.db2.gz SRQWGMKTZLBACJ-ZBFHGGJFSA-N 2 0 292.467 2.940 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235218856 619190449 /nfs/dbraw/zinc/19/04/49/619190449.db2.gz QJJRSHQOPCRTNC-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP C[NH+]1CCC(CN2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000891574350 617673060 /nfs/dbraw/zinc/67/30/60/617673060.db2.gz XRIFHYQJZVJQEN-UHFFFAOYSA-N 2 0 293.499 2.526 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000261976399 617797712 /nfs/dbraw/zinc/79/77/12/617797712.db2.gz QUTXJRPWHXCUGB-NEPJUHHUSA-N 2 0 252.789 2.724 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)CO1 ZINC000926337269 617918653 /nfs/dbraw/zinc/91/86/53/617918653.db2.gz NDIBVOOZWHSRSW-SIGVMEELSA-N 2 0 278.440 2.551 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O)c(F)c2)C[C@H]1C ZINC000892102142 617949850 /nfs/dbraw/zinc/94/98/50/617949850.db2.gz CMSLWXJQFUOOCV-OCCSQVGLSA-N 2 0 280.387 2.836 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C(C)(C)CO ZINC000926351253 617953569 /nfs/dbraw/zinc/95/35/69/617953569.db2.gz PYFBIIHLQKTYTH-GOEBONIOSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934398184 618031202 /nfs/dbraw/zinc/03/12/02/618031202.db2.gz XLUNHDKRBGMZFB-CABCVRRESA-N 2 0 266.429 2.552 20 0 CFADRP COc1cc(C[NH2+]C2CCC([NH3+])CC2)ccc1OC(C)C ZINC000051693152 618049705 /nfs/dbraw/zinc/04/97/05/618049705.db2.gz ZGQATCRTANFYSW-UHFFFAOYSA-N 2 0 292.423 2.842 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@@H]1CCC=CO1)Cc1ccccc1 ZINC000050267292 618089775 /nfs/dbraw/zinc/08/97/75/618089775.db2.gz MDAKSALISAFFHM-KRWDZBQOSA-N 2 0 274.408 2.791 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCSC1 ZINC000261561072 618105240 /nfs/dbraw/zinc/10/52/40/618105240.db2.gz UZXCTTGWCPBHOD-MCIONIFRSA-N 2 0 256.459 2.640 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000261589489 618108743 /nfs/dbraw/zinc/10/87/43/618108743.db2.gz KVQSOJVDEFMWMT-HEHGZKQESA-N 2 0 262.397 2.734 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000926115648 618116565 /nfs/dbraw/zinc/11/65/65/618116565.db2.gz WLELUPKKRFOCCS-CVEARBPZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926488053 618156244 /nfs/dbraw/zinc/15/62/44/618156244.db2.gz SRCNXOMYHSQNLE-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000926143371 618173197 /nfs/dbraw/zinc/17/31/97/618173197.db2.gz RAAOLFAJKDVSFS-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926533256 618185230 /nfs/dbraw/zinc/18/52/30/618185230.db2.gz ANBCTBCDWZLNGD-QGTPRVQTSA-N 2 0 290.451 2.950 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000926540097 618189633 /nfs/dbraw/zinc/18/96/33/618189633.db2.gz XSTBBKJIWJBJQV-DOTOQJQBSA-N 2 0 282.472 2.638 20 0 CFADRP CCC1(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)COC1 ZINC000926541345 618190456 /nfs/dbraw/zinc/19/04/56/618190456.db2.gz ORPXAMFQPLZLBU-AWEZNQCLSA-N 2 0 276.424 2.825 20 0 CFADRP COc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000091844433 618202515 /nfs/dbraw/zinc/20/25/15/618202515.db2.gz OKWRTXCWJUGRQN-UHFFFAOYSA-N 2 0 262.397 2.705 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)C12CCC2 ZINC000308387373 618207662 /nfs/dbraw/zinc/20/76/62/618207662.db2.gz FUWQVAMQCXXBBV-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926560084 618208900 /nfs/dbraw/zinc/20/89/00/618208900.db2.gz RBJQZFYOVAQAKN-JKIFEVAISA-N 2 0 276.424 2.966 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000309599433 618212349 /nfs/dbraw/zinc/21/23/49/618212349.db2.gz XGHMIDXNMWBNEQ-JTQLQIEISA-N 2 0 265.228 2.644 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1(Br)CC1 ZINC000926572866 618216806 /nfs/dbraw/zinc/21/68/06/618216806.db2.gz HJMGXJKNPGJHNE-RYUDHWBXSA-N 2 0 289.261 2.624 20 0 CFADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926608309 618231423 /nfs/dbraw/zinc/23/14/23/618231423.db2.gz ZAHYBHJODXVLNG-RUXDESIVSA-N 2 0 277.412 2.823 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000924524514 618233834 /nfs/dbraw/zinc/23/38/34/618233834.db2.gz CLDKLXTZPBXQPE-HOTGVXAUSA-N 2 0 270.461 2.639 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000924526233 618252692 /nfs/dbraw/zinc/25/26/92/618252692.db2.gz JFFLCUMUYCQGIK-DOTOQJQBSA-N 2 0 289.467 2.970 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925574820 618256724 /nfs/dbraw/zinc/25/67/24/618256724.db2.gz BUNQTIISZAZYOY-XHSDSOJGSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925105125 618260197 /nfs/dbraw/zinc/26/01/97/618260197.db2.gz YYQJAXWPOAWTEY-JCURWCKSSA-N 2 0 291.439 2.829 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(CCCOC)CCC2)CC1 ZINC000892431913 618263175 /nfs/dbraw/zinc/26/31/75/618263175.db2.gz FVXTYTZLWLGGNW-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCSc2ccccc21 ZINC000310120716 618267503 /nfs/dbraw/zinc/26/75/03/618267503.db2.gz BHGCDQQOZSDUGH-LBPRGKRZSA-N 2 0 250.411 2.941 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1F ZINC000925586235 618270859 /nfs/dbraw/zinc/27/08/59/618270859.db2.gz YJRZTPHUIKQJPU-OLZOCXBDSA-N 2 0 280.387 2.830 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000925930464 618274156 /nfs/dbraw/zinc/27/41/56/618274156.db2.gz UKTVNPLJIBSQAA-RLFYNMQTSA-N 3 0 289.467 2.739 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000894038528 618283257 /nfs/dbraw/zinc/28/32/57/618283257.db2.gz ZJUZBBZDMRFCCR-MRXNPFEDSA-N 2 0 276.424 2.920 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925605057 618293351 /nfs/dbraw/zinc/29/33/51/618293351.db2.gz DBMVGOJTSIIXRN-LERXQTSPSA-N 2 0 279.428 2.891 20 0 CFADRP CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925110986 618320708 /nfs/dbraw/zinc/32/07/08/618320708.db2.gz JVNRVTNQCMHEMT-XJKCOSOUSA-N 2 0 296.480 2.511 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615295 618320755 /nfs/dbraw/zinc/32/07/55/618320755.db2.gz YUHZIJZLDMBELQ-AEFFLSMTSA-N 2 0 289.467 2.788 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000738070893 618321059 /nfs/dbraw/zinc/32/10/59/618321059.db2.gz MEVDJQUGBFWTBI-UHFFFAOYSA-N 2 0 298.434 2.781 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2F)C[C@H](C)O1 ZINC000067452749 618322638 /nfs/dbraw/zinc/32/26/38/618322638.db2.gz LKXNADXAWUTCKF-GASCZTMLSA-N 2 0 294.414 2.805 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925616768 618324453 /nfs/dbraw/zinc/32/44/53/618324453.db2.gz UIJIAPMYPOBJKR-MUIFIZLQSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC1(O)CCCCC1)c1ccccc1 ZINC000925617088 618325065 /nfs/dbraw/zinc/32/50/65/618325065.db2.gz PSOODLRGMKNHFR-MRXNPFEDSA-N 2 0 276.424 2.751 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618533 618329107 /nfs/dbraw/zinc/32/91/07/618329107.db2.gz IOGQGAKLMUFHCR-FVCCEPFGSA-N 2 0 272.383 2.931 20 0 CFADRP CCn1cc(C[NH2+][C@@H](C)CCC[NH+](CC)CC)c(C)n1 ZINC000893321386 618341182 /nfs/dbraw/zinc/34/11/82/618341182.db2.gz BPPOXNXNTYEPTE-AWEZNQCLSA-N 2 0 280.460 2.812 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000312600298 618341418 /nfs/dbraw/zinc/34/14/18/618341418.db2.gz YFAWHDXGBNPXFA-OAHLLOKOSA-N 2 0 278.440 2.554 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn2ccnc2s1 ZINC000893322090 618342622 /nfs/dbraw/zinc/34/26/22/618342622.db2.gz MULDCILWTSRMFX-ZDUSSCGKSA-N 2 0 294.468 2.996 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CC[NH2+]C12CCCC2)C(C)C ZINC000925624378 618345019 /nfs/dbraw/zinc/34/50/19/618345019.db2.gz WPVYKMUWGLCBGN-INIZCTEOSA-N 2 0 281.488 2.760 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2cccs2)C12CCC2 ZINC000925628577 618355329 /nfs/dbraw/zinc/35/53/29/618355329.db2.gz DNSJEXXARKDRCU-OLZOCXBDSA-N 2 0 250.411 2.540 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@H](C)O1 ZINC000925629883 618356476 /nfs/dbraw/zinc/35/64/76/618356476.db2.gz MHDIGIIKJMRQKN-IMPMIVQMSA-N 2 0 280.456 2.700 20 0 CFADRP CC(C)[C@@H](O)C1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925636076 618368799 /nfs/dbraw/zinc/36/87/99/618368799.db2.gz QAQQUYXGVVAEHI-DLBZAZTESA-N 2 0 290.451 2.853 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925637437 618370954 /nfs/dbraw/zinc/37/09/54/618370954.db2.gz LDRREONPAWQFTA-XYVMCAHJSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccccc1 ZINC000925640918 618377936 /nfs/dbraw/zinc/37/79/36/618377936.db2.gz KHHDPBMSCXRIAB-MRXNPFEDSA-N 2 0 276.424 2.609 20 0 CFADRP CCOc1ccc(-c2cc(CN(C)CCC[NH3+])on2)cc1 ZINC000901388620 620801584 /nfs/dbraw/zinc/80/15/84/620801584.db2.gz WKASULZGBDDTHJ-UHFFFAOYSA-N 2 0 289.379 2.521 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000925643482 618380753 /nfs/dbraw/zinc/38/07/53/618380753.db2.gz JIQWRRFGROIWNQ-ULQDDVLXSA-N 2 0 276.424 2.607 20 0 CFADRP Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261729350 618388834 /nfs/dbraw/zinc/38/88/34/618388834.db2.gz HAXZEUVJEBOUHH-WBVHZDCISA-N 2 0 260.425 2.857 20 0 CFADRP C[C@@](O)(CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925646774 618392912 /nfs/dbraw/zinc/39/29/12/618392912.db2.gz WCEPDVZKFAGRBX-JFIYKMOQSA-N 2 0 290.451 2.780 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000926675290 618398964 /nfs/dbraw/zinc/39/89/64/618398964.db2.gz GWFZLTFCDPOBMQ-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@@H](C)O1 ZINC000925652721 618405287 /nfs/dbraw/zinc/40/52/87/618405287.db2.gz AEUXSRJPZPXMQY-DTTOXWODSA-N 2 0 294.483 2.948 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCc2ccccc21 ZINC000895165699 618416592 /nfs/dbraw/zinc/41/65/92/618416592.db2.gz MDXWJBUYDGFSBX-OAHLLOKOSA-N 2 0 272.436 2.990 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000925662252 618427090 /nfs/dbraw/zinc/42/70/90/618427090.db2.gz HLJPUGWIKJGLRK-OMXXWXSESA-N 2 0 272.383 2.917 20 0 CFADRP Cc1ccnc(N)c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000894180045 618429787 /nfs/dbraw/zinc/42/97/87/618429787.db2.gz IMLAEDDTIIKXIM-HNNXBMFYSA-N 2 0 290.455 2.716 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000894181018 618430388 /nfs/dbraw/zinc/43/03/88/618430388.db2.gz NOYZJIHYUOVNTC-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C1 ZINC000925668112 618435124 /nfs/dbraw/zinc/43/51/24/618435124.db2.gz USPYOIGHISNMOH-HUUCEWRRSA-N 2 0 286.423 2.601 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925670387 618438330 /nfs/dbraw/zinc/43/83/30/618438330.db2.gz JLHVYYBRLMSCPJ-PVAVHDDUSA-N 2 0 275.440 2.539 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)ccc1Cl ZINC000925677178 618452368 /nfs/dbraw/zinc/45/23/68/618452368.db2.gz VSXOQWGZXSIBNW-HUUCEWRRSA-N 2 0 294.826 2.751 20 0 CFADRP C[C@@]1([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@H]1c1ccccc1 ZINC000925678568 618456388 /nfs/dbraw/zinc/45/63/88/618456388.db2.gz VUKIUBJMTWJBNA-ZJIFWQFVSA-N 2 0 256.393 2.792 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000877696935 618457265 /nfs/dbraw/zinc/45/72/65/618457265.db2.gz BTWIWPDQBUJUAU-ZFWWWQNUSA-N 2 0 270.486 2.838 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000893357016 618465697 /nfs/dbraw/zinc/46/56/97/618465697.db2.gz OJZKMDUHSNBBII-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1 ZINC000925684588 618474448 /nfs/dbraw/zinc/47/44/48/618474448.db2.gz IGNUHQJUMXZVFG-QZTJIDSGSA-N 2 0 287.451 2.690 20 0 CFADRP C[C@@H](N)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000925686755 618479603 /nfs/dbraw/zinc/47/96/03/618479603.db2.gz YCTBBRCSPAGSHO-RHSMWYFYSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000925685687 618479759 /nfs/dbraw/zinc/47/97/59/618479759.db2.gz MGYXEQOPZDBFIK-GDMFYVFNSA-N 2 0 262.441 2.918 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C)cc1OC ZINC000895292361 618514829 /nfs/dbraw/zinc/51/48/29/618514829.db2.gz BJEPDZYGZNNFRN-KGLIPLIRSA-N 2 0 294.439 2.565 20 0 CFADRP C[C@H](CC[NH2+]CCSCc1ccccc1)[NH+](C)C ZINC000895292317 618515088 /nfs/dbraw/zinc/51/50/88/618515088.db2.gz BDBSAUXRBFOVBQ-CQSZACIVSA-N 2 0 266.454 2.850 20 0 CFADRP C[C@H](CCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000895296279 618517908 /nfs/dbraw/zinc/51/79/08/618517908.db2.gz FEESCYOYJMIMBE-SOLBZPMBSA-N 2 0 289.467 2.752 20 0 CFADRP C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1ccoc1 ZINC000895378809 618557864 /nfs/dbraw/zinc/55/78/64/618557864.db2.gz SRQQXVJEMSERDZ-UKRRQHHQSA-N 2 0 250.386 2.832 20 0 CFADRP COc1ccc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cn1 ZINC000895378630 618558013 /nfs/dbraw/zinc/55/80/13/618558013.db2.gz RFPZXGKCCOMPEC-GOEBONIOSA-N 2 0 291.439 2.642 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC([C@H]3CCCCO3)CC2)CC1 ZINC000895406123 618570498 /nfs/dbraw/zinc/57/04/98/618570498.db2.gz UFDIEGCVWQEPSM-QGZVFWFLSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1)[NH+](C)C ZINC000895428152 618576833 /nfs/dbraw/zinc/57/68/33/618576833.db2.gz GHFYXLVVBIIWRY-YCPHGPKFSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CSC3)CC2)C1 ZINC000895421727 618581926 /nfs/dbraw/zinc/58/19/26/618581926.db2.gz VYDIBYPMYPTKBD-CZUORRHYSA-N 2 0 282.497 2.982 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CSC1 ZINC000895421300 618582089 /nfs/dbraw/zinc/58/20/89/618582089.db2.gz FBMFWZRWZXDKEE-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)nc1 ZINC000161736099 618614396 /nfs/dbraw/zinc/61/43/96/618614396.db2.gz BTHUHISCWLXPNS-HNNXBMFYSA-N 2 0 272.396 2.791 20 0 CFADRP CSC1CC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000926739364 618619861 /nfs/dbraw/zinc/61/98/61/618619861.db2.gz QQWIWYDIPJPDDL-NFOMZHRRSA-N 2 0 268.470 2.592 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000892586008 618643227 /nfs/dbraw/zinc/64/32/27/618643227.db2.gz DOGFYLSUJYGWBF-KBAYOESNSA-N 2 0 270.420 2.933 20 0 CFADRP CCCSC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892608956 618652336 /nfs/dbraw/zinc/65/23/36/618652336.db2.gz SPJUWYXCXGCZRO-IHRRRGAJSA-N 2 0 256.459 2.735 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]CC2(CCCOC)CCC2)C1 ZINC000892614824 618655582 /nfs/dbraw/zinc/65/55/82/618655582.db2.gz VKXHMAPPIDFJHU-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000892622481 618658307 /nfs/dbraw/zinc/65/83/07/618658307.db2.gz QJOZBWVAVUPTMR-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000892622485 618658453 /nfs/dbraw/zinc/65/84/53/618658453.db2.gz QJOZBWVAVUPTMR-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924585527 618692146 /nfs/dbraw/zinc/69/21/46/618692146.db2.gz AKCXPFYLZHCJHC-CRAIPNDOSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000062862646 618711465 /nfs/dbraw/zinc/71/14/65/618711465.db2.gz FYBSEFDRBWSSOH-HZMBPMFUSA-N 2 0 267.442 2.800 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000892745364 618738063 /nfs/dbraw/zinc/73/80/63/618738063.db2.gz OXFXUKLFFVDNJU-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000892935690 618773005 /nfs/dbraw/zinc/77/30/05/618773005.db2.gz AMJXETSYWVPUHU-UHFFFAOYSA-N 3 0 295.515 2.964 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925501406 618822189 /nfs/dbraw/zinc/82/21/89/618822189.db2.gz CEXUHMNRVZQRFE-CBBWQLFWSA-N 2 0 280.456 2.687 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000893094842 618828992 /nfs/dbraw/zinc/82/89/92/618828992.db2.gz QTEGWSJNTXQMBE-KGLIPLIRSA-N 2 0 282.378 2.970 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@@H](C[NH+](C)C)C2)c1Br ZINC000893119215 618837455 /nfs/dbraw/zinc/83/74/55/618837455.db2.gz PCMSDQKERCORNW-NSHDSACASA-N 2 0 298.228 2.540 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925509428 618843996 /nfs/dbraw/zinc/84/39/96/618843996.db2.gz WJIPPDNGHGFJBF-IEAZIUSSSA-N 2 0 288.435 2.606 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000925511819 618851181 /nfs/dbraw/zinc/85/11/81/618851181.db2.gz VCDVFYLAOPFJLX-BZUAXINKSA-N 2 0 281.488 2.602 20 0 CFADRP C1C[C@@H]2CC[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C[C@@H]2C1 ZINC000925512454 618851586 /nfs/dbraw/zinc/85/15/86/618851586.db2.gz CPJZUBNPTFGWOX-KBCDKLAWSA-N 2 0 260.425 2.541 20 0 CFADRP CO[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000925514909 618853702 /nfs/dbraw/zinc/85/37/02/618853702.db2.gz GXYUOABHYWZHBR-LSDHHAIUSA-N 2 0 294.826 2.902 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000925516691 618855930 /nfs/dbraw/zinc/85/59/30/618855930.db2.gz IMZQPNWSUZEEEQ-RBSFLKMASA-N 2 0 296.842 2.869 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccc1Cl ZINC000925519620 618858139 /nfs/dbraw/zinc/85/81/39/618858139.db2.gz INJYKFZZRFUWNC-KKNUOHPOSA-N 2 0 278.827 2.988 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCC2 ZINC000925520171 618858687 /nfs/dbraw/zinc/85/86/87/618858687.db2.gz QUYGSMIWJXORKA-ZWKOTPCHSA-N 3 0 299.462 2.642 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930555385 618863053 /nfs/dbraw/zinc/86/30/53/618863053.db2.gz MUYIYMTYINZLMP-HZPDHXFCSA-N 2 0 278.440 2.506 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000925524089 618866609 /nfs/dbraw/zinc/86/66/09/618866609.db2.gz QNAJTJXROWUCMM-WMZOPIPTSA-N 2 0 295.515 2.815 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)nc21 ZINC000925526684 618872914 /nfs/dbraw/zinc/87/29/14/618872914.db2.gz JYGYGBRNTZCAPZ-UONOGXRCSA-N 2 0 285.391 2.538 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000925528129 618877036 /nfs/dbraw/zinc/87/70/36/618877036.db2.gz SVMLMJBKQASEPG-HOTGVXAUSA-N 2 0 264.413 2.727 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000925528660 618878627 /nfs/dbraw/zinc/87/86/27/618878627.db2.gz UQXVZOXBLMHCDE-KRWDZBQOSA-N 3 0 287.451 2.513 20 0 CFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925528999 618880229 /nfs/dbraw/zinc/88/02/29/618880229.db2.gz HWABCXHTEIASBM-ZMHPJDFHSA-N 2 0 270.420 2.765 20 0 CFADRP [NH3+][C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCC2 ZINC000925530781 618883044 /nfs/dbraw/zinc/88/30/44/618883044.db2.gz UHTCNFKTUAMYSC-IRXDYDNUSA-N 2 0 291.483 2.643 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925535720 618889033 /nfs/dbraw/zinc/88/90/33/618889033.db2.gz JVPQCCGTZQRNQR-YESZJQIVSA-N 2 0 293.499 2.747 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000925536506 618889939 /nfs/dbraw/zinc/88/99/39/618889939.db2.gz FFYGPIOVIDVMQK-MAUKXSAKSA-N 2 0 287.451 2.541 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925538088 618893458 /nfs/dbraw/zinc/89/34/58/618893458.db2.gz QTBBUXPYRLOIHK-ZWKOTPCHSA-N 2 0 287.451 2.856 20 0 CFADRP Cc1csc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925538910 618895317 /nfs/dbraw/zinc/89/53/17/618895317.db2.gz UNQBUEUYDFSKSG-ZIAGYGMSSA-N 2 0 279.453 2.709 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925541150 618899919 /nfs/dbraw/zinc/89/99/19/618899919.db2.gz HNOAJURUEIKDHA-YUELXQCFSA-N 2 0 261.413 2.681 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925543101 618903073 /nfs/dbraw/zinc/90/30/73/618903073.db2.gz QKKAWISPLKYWMM-MJBXVCDLSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]([NH3+])[C@H](NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000925549318 618911598 /nfs/dbraw/zinc/91/15/98/618911598.db2.gz XTAVNILOBRULLM-KONPQCLYSA-N 2 0 289.467 2.785 20 0 CFADRP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000893264419 618915169 /nfs/dbraw/zinc/91/51/69/618915169.db2.gz CYVFMLOSCVOWTL-HDDXRBDOSA-N 2 0 299.462 2.647 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000925555313 618919713 /nfs/dbraw/zinc/91/97/13/618919713.db2.gz GNCNPOCHSNXHMY-YESZJQIVSA-N 2 0 294.483 2.779 20 0 CFADRP N[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925693116 618938500 /nfs/dbraw/zinc/93/85/00/618938500.db2.gz OLLYHOGXOWRLOA-ZWKOTPCHSA-N 2 0 283.419 2.756 20 0 CFADRP C[C@H](CC[NH2+]C[C@@H]1CCC=CO1)[NH+]1CCCCC1 ZINC000194626063 618938603 /nfs/dbraw/zinc/93/86/03/618938603.db2.gz RFNCYMWWTTZGRB-CABCVRRESA-N 2 0 252.402 2.533 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697323 618950965 /nfs/dbraw/zinc/95/09/65/618950965.db2.gz DMSYQLHSPHNROF-MAZHCROVSA-N 3 0 275.440 2.702 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000931354407 618953529 /nfs/dbraw/zinc/95/35/29/618953529.db2.gz KUPXZKBMRDJZBF-UHFFFAOYSA-N 2 0 298.471 2.915 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925702594 618955921 /nfs/dbraw/zinc/95/59/21/618955921.db2.gz OSACMYJNDUHFBM-QWRGUYRKSA-N 2 0 277.239 2.835 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(C2CCC2)c1 ZINC000925703116 618956916 /nfs/dbraw/zinc/95/69/16/618956916.db2.gz CIHOZDGRSNLAEF-ZDUSSCGKSA-N 2 0 274.412 2.521 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c(F)c1 ZINC000925703856 618957480 /nfs/dbraw/zinc/95/74/80/618957480.db2.gz VQARPIYSDHGXAO-VNQPRFMTSA-N 2 0 292.398 2.579 20 0 CFADRP CC1(C)C[C@@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]([NH3+])C1 ZINC000925704802 618958699 /nfs/dbraw/zinc/95/86/99/618958699.db2.gz FIOJCYPXWJYSOS-PMPSAXMXSA-N 2 0 293.499 2.889 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccnc3ccccc23)C12CCC2 ZINC000925705763 618960115 /nfs/dbraw/zinc/96/01/15/618960115.db2.gz LRXJGEUBOISCBH-IAGOWNOFSA-N 2 0 281.403 2.637 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C23CCC3)C[C@]1(F)Cl ZINC000925706287 618960680 /nfs/dbraw/zinc/96/06/80/618960680.db2.gz CCFBMJOQLDFJKN-GMXVVIOVSA-N 2 0 260.784 2.565 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925706365 618961018 /nfs/dbraw/zinc/96/10/18/618961018.db2.gz CODINBZEMIBVRJ-AEGPPILISA-N 2 0 264.438 2.950 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925707521 618962078 /nfs/dbraw/zinc/96/20/78/618962078.db2.gz OXCVPBRLQJHQOX-QZWWFDLISA-N 2 0 285.435 2.622 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[C@@H]([NH3+])C1 ZINC000925711173 618964940 /nfs/dbraw/zinc/96/49/40/618964940.db2.gz XEMZIGBUQFGGDI-XGUBFFRZSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)O1 ZINC000925711687 618965196 /nfs/dbraw/zinc/96/51/96/618965196.db2.gz VDULYPFVRAWXLS-DZUCGIPZSA-N 2 0 280.456 2.702 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711894 618966066 /nfs/dbraw/zinc/96/60/66/618966066.db2.gz FLJLKKFYCLKVON-MCIONIFRSA-N 2 0 270.461 2.933 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1noc2ccccc21 ZINC000925712499 618966925 /nfs/dbraw/zinc/96/69/25/618966925.db2.gz HFINYBHDFGCBHQ-JPZVUWATSA-N 2 0 285.391 2.823 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313027730 618972164 /nfs/dbraw/zinc/97/21/64/618972164.db2.gz GPQLXSWRRFSVGL-IRXDYDNUSA-N 2 0 288.435 2.523 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)C12CCC2 ZINC000925715776 618973157 /nfs/dbraw/zinc/97/31/57/618973157.db2.gz MAEDTAIHHFVGAK-LSDHHAIUSA-N 2 0 287.432 2.698 20 0 CFADRP CCc1ccccc1CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439352 618975365 /nfs/dbraw/zinc/97/53/65/618975365.db2.gz UYYLAUBFGBTHBM-ZWKOTPCHSA-N 2 0 272.436 2.675 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)C12CCC2 ZINC000925722402 618985473 /nfs/dbraw/zinc/98/54/73/618985473.db2.gz HTNXAOBQIBNKGT-RBGFHDKUSA-N 2 0 288.822 2.838 20 0 CFADRP Cc1ccc(CCN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000257671753 618988568 /nfs/dbraw/zinc/98/85/68/618988568.db2.gz IPOKIQSQVILRIW-KRWDZBQOSA-N 2 0 258.409 2.756 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257744410 618996442 /nfs/dbraw/zinc/99/64/42/618996442.db2.gz ZJWQSJCUTHFRFZ-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@H]1CCSC1 ZINC000925724971 619003037 /nfs/dbraw/zinc/00/30/37/619003037.db2.gz OOXAWRMCRPEFQH-XDYZINJXSA-N 2 0 268.470 2.625 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000931485517 619004584 /nfs/dbraw/zinc/00/45/84/619004584.db2.gz LQQCRPWBRSXGMU-UHFFFAOYSA-N 2 0 298.430 2.728 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893489564 619016327 /nfs/dbraw/zinc/01/63/27/619016327.db2.gz ZCUDRDZCFBVZTN-WBVHZDCISA-N 3 0 293.499 2.571 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925731386 619037028 /nfs/dbraw/zinc/03/70/28/619037028.db2.gz BIGNXEGOFQKMEU-HWOWSKLDSA-N 3 0 279.472 2.514 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925734809 619044625 /nfs/dbraw/zinc/04/46/25/619044625.db2.gz VCMQURZSEPGAPH-ZJIFWQFVSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000925734877 619044753 /nfs/dbraw/zinc/04/47/53/619044753.db2.gz CFRZSXAZVFIOAR-GOEBONIOSA-N 2 0 274.408 2.790 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000925735265 619044878 /nfs/dbraw/zinc/04/48/78/619044878.db2.gz YECJACJNVAOOPC-VXGBXAGGSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000925736138 619045594 /nfs/dbraw/zinc/04/55/94/619045594.db2.gz ZKOYILPZGKGJLK-VGWMRTNUSA-N 2 0 280.456 2.545 20 0 CFADRP COC/C(C)=C/C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000931561794 619048085 /nfs/dbraw/zinc/04/80/85/619048085.db2.gz MHBDNTKXJXXDPC-OMCISZLKSA-N 2 0 282.472 2.879 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000925774406 619091889 /nfs/dbraw/zinc/09/18/89/619091889.db2.gz NDYSLYMCHJKGHE-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP C[N@@H+](CCc1ccccc1F)CC[C@H]1CCC[NH2+]C1 ZINC000259167386 619094800 /nfs/dbraw/zinc/09/48/00/619094800.db2.gz YILOVBISVSKPIT-CQSZACIVSA-N 2 0 264.388 2.690 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000925776178 619097106 /nfs/dbraw/zinc/09/71/06/619097106.db2.gz JPWYLLDZLLMWCH-CHWSQXEVSA-N 2 0 272.383 2.934 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925792140 619117362 /nfs/dbraw/zinc/11/73/62/619117362.db2.gz UBNIHDKPEMRAHE-FOGDFJRCSA-N 2 0 267.442 2.520 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925797543 619119649 /nfs/dbraw/zinc/11/96/49/619119649.db2.gz OOBHBQFNCBYFMP-UPJWGTAASA-N 2 0 293.480 2.918 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925798009 619119805 /nfs/dbraw/zinc/11/98/05/619119805.db2.gz JQJCPLKSNNSGGM-HZSPNIEDSA-N 2 0 262.397 2.591 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000925802410 619122849 /nfs/dbraw/zinc/12/28/49/619122849.db2.gz GBHAOSALUYNJCC-LXTVHRRPSA-N 2 0 256.409 2.740 20 0 CFADRP CC[C@H](COC)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925805949 619126444 /nfs/dbraw/zinc/12/64/44/619126444.db2.gz AAMOVJHMUZAWHH-OAHLLOKOSA-N 2 0 256.434 2.561 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc(C)c1F ZINC000925812669 619131403 /nfs/dbraw/zinc/13/14/03/619131403.db2.gz YBIMWHKOFVMYKX-CQSZACIVSA-N 2 0 293.430 2.516 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cnn(C)c1 ZINC000925819756 619139668 /nfs/dbraw/zinc/13/96/68/619139668.db2.gz YWBOMQLWMPSSCE-AWEZNQCLSA-N 2 0 278.444 2.631 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822169 619142102 /nfs/dbraw/zinc/14/21/02/619142102.db2.gz JDTSQPUUAYUUDQ-ZLZJIPBDSA-N 3 0 293.499 2.761 20 0 CFADRP C[C@@H](COCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925825246 619146839 /nfs/dbraw/zinc/14/68/39/619146839.db2.gz CDELOVNXEYNRKU-JTUUTPGSSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]1NCCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925825255 619146865 /nfs/dbraw/zinc/14/68/65/619146865.db2.gz YRQGNQFVTHCAJY-SOEBMCCKSA-N 2 0 279.472 2.514 20 0 CFADRP Cc1nc([C@H]2CCC[N@H+]2CC2CC[NH+](C)CC2)cs1 ZINC000893678563 619154834 /nfs/dbraw/zinc/15/48/34/619154834.db2.gz LCEIZNGHCCQNPW-OAHLLOKOSA-N 2 0 279.453 2.930 20 0 CFADRP Fc1cccc(C2(C[NH2+]C3CC[NH2+]CC3)CCC2)c1 ZINC000925832377 619163045 /nfs/dbraw/zinc/16/30/45/619163045.db2.gz NYXJHCXAXWLDLR-UHFFFAOYSA-N 2 0 262.372 2.589 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000119613612 619164178 /nfs/dbraw/zinc/16/41/78/619164178.db2.gz OYFMKXBZLZQBGC-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1c(Br)cccc1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000925834711 619166378 /nfs/dbraw/zinc/16/63/78/619166378.db2.gz OKTQTUTXLJOJPS-KBPBESRZSA-N 2 0 297.240 2.769 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000261540629 619169811 /nfs/dbraw/zinc/16/98/11/619169811.db2.gz AICPAYCDEOAISM-JSGCOSHPSA-N 2 0 297.240 2.709 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925862385 619188429 /nfs/dbraw/zinc/18/84/29/619188429.db2.gz ZWPJTRVSAPLPHT-VXGBXAGGSA-N 2 0 254.443 2.535 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCS1 ZINC000925862070 619188615 /nfs/dbraw/zinc/18/86/15/619188615.db2.gz XFRGAHAFEZBCEB-YVECIDJPSA-N 2 0 256.459 2.766 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cs1 ZINC000261659612 619192932 /nfs/dbraw/zinc/19/29/32/619192932.db2.gz YVUROYJGJNNUHD-BZUAXINKSA-N 2 0 293.480 2.894 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925880740 619201039 /nfs/dbraw/zinc/20/10/39/619201039.db2.gz OBQQMOLHADIZBY-CGTJXYLNSA-N 2 0 288.435 2.798 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000925881717 619201552 /nfs/dbraw/zinc/20/15/52/619201552.db2.gz FAXIENROAKKNBD-FOGDFJRCSA-N 2 0 253.777 2.513 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000925882674 619202020 /nfs/dbraw/zinc/20/20/20/619202020.db2.gz PODBCUMFQMSKQR-SGIREYDYSA-N 2 0 262.372 2.920 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000925882711 619202278 /nfs/dbraw/zinc/20/22/78/619202278.db2.gz QCCKXNBGXBHIOT-OSAQELSMSA-N 2 0 265.376 2.635 20 0 CFADRP C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925887700 619204602 /nfs/dbraw/zinc/20/46/02/619204602.db2.gz KJYFDKRLMIYTSA-QSPRXWTASA-N 2 0 258.409 2.824 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C3CCC3)c2)CC1 ZINC000893856417 619229378 /nfs/dbraw/zinc/22/93/78/619229378.db2.gz JFDQIANTLQKJFU-UHFFFAOYSA-N 2 0 288.439 2.668 20 0 CFADRP COc1ccc2[nH+]ccc(N3CCC[C@H]4C[N@H+](C)C[C@H]43)c2c1 ZINC000894274876 619301759 /nfs/dbraw/zinc/30/17/59/619301759.db2.gz CXGJTHZZDXONFJ-SCLBCKFNSA-N 2 0 297.402 2.774 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000924966122 619308646 /nfs/dbraw/zinc/30/86/46/619308646.db2.gz CUHHXRBBADDQLF-OAHLLOKOSA-N 2 0 281.488 2.569 20 0 CFADRP Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924968492 619309970 /nfs/dbraw/zinc/30/99/70/619309970.db2.gz ZIZZXGOFEHLDIO-ULQDDVLXSA-N 2 0 286.419 2.986 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924995040 619322685 /nfs/dbraw/zinc/32/26/85/619322685.db2.gz ZUTXURUFOORSPV-BBRMVZONSA-N 2 0 264.413 2.560 20 0 CFADRP FC(F)(F)c1cccnc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261930134 619326134 /nfs/dbraw/zinc/32/61/34/619326134.db2.gz CRDGRUJFBHGZSQ-UHFFFAOYSA-N 2 0 299.340 2.676 20 0 CFADRP CCCCN(C)CC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000925037752 619352643 /nfs/dbraw/zinc/35/26/43/619352643.db2.gz AIQWWACHBBNWNE-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)sc1C ZINC000894479377 619396947 /nfs/dbraw/zinc/39/69/47/619396947.db2.gz OSGPWFYHZIZZEM-OAHLLOKOSA-N 2 0 293.480 2.924 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCc2ccc(F)c(F)c2)C1 ZINC000894496348 619403364 /nfs/dbraw/zinc/40/33/64/619403364.db2.gz PBLBUQUQCCBCQC-WMLDXEAASA-N 2 0 294.389 2.923 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000925075124 619408358 /nfs/dbraw/zinc/40/83/58/619408358.db2.gz OTNVGHMFZMDSPS-STQMWFEESA-N 2 0 294.414 2.648 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000262039346 619408552 /nfs/dbraw/zinc/40/85/52/619408552.db2.gz YDDCFDIQBDATBJ-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)Cc2ccccc2O1 ZINC000894593492 619427707 /nfs/dbraw/zinc/42/77/07/619427707.db2.gz UFDHFMSLQZAYFI-AWEZNQCLSA-N 2 0 274.408 2.611 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000894623769 619431668 /nfs/dbraw/zinc/43/16/68/619431668.db2.gz QUVKFLHBBCDQSX-OFLPRAFFSA-N 2 0 280.456 2.609 20 0 CFADRP C(CC[NH2+]Cc1nnc(C2CC2)s1)CC[NH+]1CCCC1 ZINC000894625117 619432187 /nfs/dbraw/zinc/43/21/87/619432187.db2.gz ATZDFWYHJODHQY-UHFFFAOYSA-N 2 0 294.468 2.771 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000894696041 619445505 /nfs/dbraw/zinc/44/55/05/619445505.db2.gz VNYZNAMOSMJDOE-INIZCTEOSA-N 2 0 296.842 2.647 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H]1C(C)C ZINC000894740931 619455709 /nfs/dbraw/zinc/45/57/09/619455709.db2.gz DKJZIZBQMKJWPA-HOTGVXAUSA-N 2 0 252.446 2.941 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000894773802 619460808 /nfs/dbraw/zinc/46/08/08/619460808.db2.gz XWXXYZLSZICYNG-OAHLLOKOSA-N 2 0 268.470 2.547 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000894890332 619500080 /nfs/dbraw/zinc/50/00/80/619500080.db2.gz QNRHFLBQQMBEFK-UHFFFAOYSA-N 2 0 268.470 2.690 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000894895065 619501838 /nfs/dbraw/zinc/50/18/38/619501838.db2.gz OYQUAHYITBTMTG-CVEARBPZSA-N 2 0 250.430 2.744 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000925101780 619517725 /nfs/dbraw/zinc/51/77/25/619517725.db2.gz JQYCSCKYKBMTQN-REOARJMMSA-N 2 0 294.483 2.758 20 0 CFADRP CCOc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)o1 ZINC000894979205 619521235 /nfs/dbraw/zinc/52/12/35/619521235.db2.gz SDGPVYYKQLAPOB-UHFFFAOYSA-N 2 0 266.385 2.641 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000895018510 619529496 /nfs/dbraw/zinc/52/94/96/619529496.db2.gz QKEGASZPFKDMOB-KRWDZBQOSA-N 2 0 292.467 2.609 20 0 CFADRP Oc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1F ZINC000895471826 619539878 /nfs/dbraw/zinc/53/98/78/619539878.db2.gz BGGZWFBIUYVSAV-UHFFFAOYSA-N 2 0 292.398 2.743 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000895545886 619552399 /nfs/dbraw/zinc/55/23/99/619552399.db2.gz IEEQHYUWHICUNV-MRXNPFEDSA-N 2 0 294.414 2.809 20 0 CFADRP CSC1(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCC1 ZINC000895556676 619555008 /nfs/dbraw/zinc/55/50/08/619555008.db2.gz LUDAWRREJODYQR-AWEZNQCLSA-N 2 0 291.464 2.878 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(Cc3cccs3)C2)CC1 ZINC000895661325 619578466 /nfs/dbraw/zinc/57/84/66/619578466.db2.gz FVDRBFUEKAXPGU-UHFFFAOYSA-N 2 0 264.438 2.564 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCSCCC(F)(F)F)CC1 ZINC000895834434 619619926 /nfs/dbraw/zinc/61/99/26/619619926.db2.gz SBKVPCDSXGLECE-UHFFFAOYSA-N 2 0 284.391 2.603 20 0 CFADRP CC(C)C[NH+](CC1CC[NH+](C)CC1)CC1CC[NH+](C)CC1 ZINC000895864759 619625561 /nfs/dbraw/zinc/62/55/61/619625561.db2.gz AQRVADBAHSGQCE-UHFFFAOYSA-N 3 0 295.515 2.628 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CC3CC3)CC2)[C@@H](C)C1 ZINC000883252635 619660149 /nfs/dbraw/zinc/66/01/49/619660149.db2.gz QMWXLLRYXLDVPT-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000896225433 619696682 /nfs/dbraw/zinc/69/66/82/619696682.db2.gz YGOXDEBLLRKRPJ-LBPRGKRZSA-N 2 0 294.336 2.695 20 0 CFADRP C[NH+](C)CC[C@@H](NC[C@@]1(C)CCCS1)c1cccnc1 ZINC000896724996 619795027 /nfs/dbraw/zinc/79/50/27/619795027.db2.gz YEVRGKKWUHWCIZ-HZPDHXFCSA-N 2 0 293.480 2.950 20 0 CFADRP OCC[C@@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000925135813 619795050 /nfs/dbraw/zinc/79/50/50/619795050.db2.gz YOEWCNZHPKGXLZ-KURKYZTESA-N 2 0 288.435 2.717 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]CC1CCSCC1)c1cccnc1 ZINC000896717185 619797184 /nfs/dbraw/zinc/79/71/84/619797184.db2.gz PDPBJHSGVDUFRN-MRXNPFEDSA-N 2 0 293.480 2.807 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCOC2CCCCC2)CC1 ZINC000054240405 619855874 /nfs/dbraw/zinc/85/58/74/619855874.db2.gz HTRDIPGAFBJFCL-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC000896951934 619903623 /nfs/dbraw/zinc/90/36/23/619903623.db2.gz MUJCPHPJPDXOKB-UKRRQHHQSA-N 2 0 291.464 2.924 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2OCCc3ccccc32)CC1 ZINC000897232300 619954300 /nfs/dbraw/zinc/95/43/00/619954300.db2.gz PZBGVWUFNUDFGZ-SFHVURJKSA-N 2 0 288.435 2.622 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000925153170 619984375 /nfs/dbraw/zinc/98/43/75/619984375.db2.gz WFVLIDLISFSDNO-OOHWJJMZSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@@H](C)C1 ZINC000925168748 620001959 /nfs/dbraw/zinc/00/19/59/620001959.db2.gz HPMPCECFYJIEQY-BOLLXYOYSA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995313 620007465 /nfs/dbraw/zinc/00/74/65/620007465.db2.gz LJJZGWSHSCFFOX-QGZVFWFLSA-N 2 0 260.425 2.865 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000925232709 620057277 /nfs/dbraw/zinc/05/72/77/620057277.db2.gz LNSJZKIOXNMBNC-BFYDXBDKSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@@H]([NH2+]CCN(CC)C(C)C)[C@H]1CCCOC1 ZINC000872030634 620079931 /nfs/dbraw/zinc/07/99/31/620079931.db2.gz IUWKXUNXEJHUQF-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CCOCC2)CC[N@@H+]1C ZINC000897445470 620173635 /nfs/dbraw/zinc/17/36/35/620173635.db2.gz IIFNCRPKJQJLFW-ZFWWWQNUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)c1ccc(F)cc1 ZINC000897621712 620260395 /nfs/dbraw/zinc/26/03/95/620260395.db2.gz PEEDDEWNDJDMKV-UKPHBRMFSA-N 2 0 276.399 2.813 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CC(CCO)C3)CC2)C1 ZINC000898011365 620316617 /nfs/dbraw/zinc/31/66/17/620316617.db2.gz QBFCOCWSBKMMKA-RYKRPPSOSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000897981643 620317626 /nfs/dbraw/zinc/31/76/26/620317626.db2.gz PJBTYVUNXMJZTC-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC000898013677 620322626 /nfs/dbraw/zinc/32/26/26/620322626.db2.gz FJFVDMMFSVRPCT-UPJWGTAASA-N 2 0 260.372 2.884 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC=CCCC2)CC1 ZINC000898031764 620326282 /nfs/dbraw/zinc/32/62/82/620326282.db2.gz IBXMTMSDZBTFDD-INIZCTEOSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898112052 620335313 /nfs/dbraw/zinc/33/53/13/620335313.db2.gz OPZLOJIUWXXBKA-HNNXBMFYSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308302 620370843 /nfs/dbraw/zinc/37/08/43/620370843.db2.gz WYOMDMMNRDHOFY-UHFFFAOYSA-N 2 0 277.456 2.842 20 0 CFADRP CCCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770184 620420010 /nfs/dbraw/zinc/42/00/10/620420010.db2.gz SLPBJFWDOJQAPA-SJORKVTESA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873222236 620435572 /nfs/dbraw/zinc/43/55/72/620435572.db2.gz HUKGGTPWYXLEJM-VBNZEHGJSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)c1nc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cs1 ZINC000873258640 620441460 /nfs/dbraw/zinc/44/14/60/620441460.db2.gz SYZLAAWJMJDKLS-GMTAPVOTSA-N 2 0 253.415 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCCC1 ZINC000924721339 620453824 /nfs/dbraw/zinc/45/38/24/620453824.db2.gz NQTPHRLLJUBFOS-YJBOKZPZSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc(F)c2)[C@@H](C)C1 ZINC000898444706 620466205 /nfs/dbraw/zinc/46/62/05/620466205.db2.gz KTWOJKABWKCOBV-WMLDXEAASA-N 2 0 294.414 2.915 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)cc1F ZINC000899323896 620543806 /nfs/dbraw/zinc/54/38/06/620543806.db2.gz VTSGBMODKPUJAE-MEBBXXQBSA-N 2 0 270.351 2.938 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)cc1F ZINC000899323890 620543910 /nfs/dbraw/zinc/54/39/10/620543910.db2.gz VTSGBMODKPUJAE-BMIGLBTASA-N 2 0 270.351 2.938 20 0 CFADRP [NH3+]C1(c2noc(CCCCC3CC[NH2+]CC3)n2)CCCC1 ZINC000900007045 620621944 /nfs/dbraw/zinc/62/19/44/620621944.db2.gz ZUVLGVOROQVSOT-UHFFFAOYSA-N 2 0 292.427 2.510 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000900011343 620622559 /nfs/dbraw/zinc/62/25/59/620622559.db2.gz CMSSNFMEKRLSAT-AWEZNQCLSA-N 2 0 286.379 2.741 20 0 CFADRP CCNc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000902199425 620996880 /nfs/dbraw/zinc/99/68/80/620996880.db2.gz RWMKEHVPBSCZPL-UHFFFAOYSA-N 2 0 261.413 2.550 20 0 CFADRP CCCCOCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902318060 621023144 /nfs/dbraw/zinc/02/31/44/621023144.db2.gz GFTYUEKWJGRSDM-AWEZNQCLSA-N 2 0 256.434 2.561 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317751 621023211 /nfs/dbraw/zinc/02/32/11/621023211.db2.gz FSIZBHGAZSMNRT-JKSUJKDBSA-N 3 0 283.504 2.865 20 0 CFADRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320668 621023585 /nfs/dbraw/zinc/02/35/85/621023585.db2.gz QUPAFSZWHLBIOT-HUUCEWRRSA-N 2 0 292.471 2.666 20 0 CFADRP Cc1ccn2cc(CN[C@H]3CC[NH2+]CC(C)(C)C3)nc2c1 ZINC000902317161 621031259 /nfs/dbraw/zinc/03/12/59/621031259.db2.gz CZGBXLJEYPLJBQ-AWEZNQCLSA-N 2 0 286.423 2.511 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000902317005 621031330 /nfs/dbraw/zinc/03/13/30/621031330.db2.gz BKWZUMZDALFJIB-GJZGRUSLSA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902348291 621035045 /nfs/dbraw/zinc/03/50/45/621035045.db2.gz YQEUBZLNBDHYAK-IXDOHACOSA-N 2 0 295.515 2.722 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327659 621037330 /nfs/dbraw/zinc/03/73/30/621037330.db2.gz FZAZFWDABYMAOM-GJZGRUSLSA-N 3 0 283.504 2.721 20 0 CFADRP CN(CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902331937 621038859 /nfs/dbraw/zinc/03/88/59/621038859.db2.gz WNLPPXAOGAJRFV-MRXNPFEDSA-N 2 0 289.467 2.881 20 0 CFADRP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902368632 621043369 /nfs/dbraw/zinc/04/33/69/621043369.db2.gz GTQAGYCUQSODNN-GJZGRUSLSA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902368648 621043428 /nfs/dbraw/zinc/04/34/28/621043428.db2.gz HFQGUEGXPKKULI-ARFHVFGLSA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902372984 621044999 /nfs/dbraw/zinc/04/49/99/621044999.db2.gz UTAKCRLEMZJXGY-KKUMJFAQSA-N 2 0 282.472 2.948 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902376224 621046403 /nfs/dbraw/zinc/04/64/03/621046403.db2.gz ZWDVROXWKNUJKM-PCKAHOCUSA-N 2 0 282.472 2.950 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375835 621046514 /nfs/dbraw/zinc/04/65/14/621046514.db2.gz YNVORLHHGAKLBQ-HUUCEWRRSA-N 2 0 294.439 2.595 20 0 CFADRP C[C@@](O)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902377529 621047060 /nfs/dbraw/zinc/04/70/60/621047060.db2.gz UIRWNVYSRRGAKU-DOTOQJQBSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCCC1 ZINC000902377531 621047288 /nfs/dbraw/zinc/04/72/88/621047288.db2.gz UIRWNVYSRRGAKU-RDJZCZTQSA-N 2 0 282.472 2.686 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000902352891 621048567 /nfs/dbraw/zinc/04/85/67/621048567.db2.gz UHFWHWFIDWFLRR-CQSZACIVSA-N 2 0 280.387 2.572 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](O)c1ccc(F)cc1 ZINC000902361152 621052773 /nfs/dbraw/zinc/05/27/73/621052773.db2.gz NUTUZSUOBNERQJ-APHBMKBZSA-N 2 0 294.414 2.615 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000902362427 621053846 /nfs/dbraw/zinc/05/38/46/621053846.db2.gz QUPBFMWDAYUQPC-CQSZACIVSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)C1 ZINC000902405927 621055180 /nfs/dbraw/zinc/05/51/80/621055180.db2.gz LZYNFYHZWIEZRR-LSDHHAIUSA-N 2 0 280.456 2.561 20 0 CFADRP CCc1ccc([C@@H](O)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902385583 621060085 /nfs/dbraw/zinc/06/00/85/621060085.db2.gz WBOTZWFZBBUDPX-IRXDYDNUSA-N 2 0 290.451 2.650 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCCCC1 ZINC000902388316 621061709 /nfs/dbraw/zinc/06/17/09/621061709.db2.gz OLHQXTOGKYMLBM-HNNXBMFYSA-N 2 0 282.472 2.951 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOCC2CCCC2)C1 ZINC000902390643 621062217 /nfs/dbraw/zinc/06/22/17/621062217.db2.gz PAFXWAYUUQBUFC-OAHLLOKOSA-N 2 0 268.445 2.561 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391141 621062468 /nfs/dbraw/zinc/06/24/68/621062468.db2.gz CNJIVXPMFDXMQA-KBPBESRZSA-N 2 0 270.461 2.805 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1 ZINC000902391348 621062635 /nfs/dbraw/zinc/06/26/35/621062635.db2.gz VMVQIPXAWMYQLF-HNNXBMFYSA-N 2 0 275.440 2.727 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000902396218 621064936 /nfs/dbraw/zinc/06/49/36/621064936.db2.gz JEOKSNURBLTURY-KBPBESRZSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000902398935 621066500 /nfs/dbraw/zinc/06/65/00/621066500.db2.gz MGYPDIMDQINLCV-HZPDHXFCSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000902428529 621075653 /nfs/dbraw/zinc/07/56/53/621075653.db2.gz DYNAKNHXCIFZDZ-QWRGUYRKSA-N 2 0 297.240 2.750 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428684 621075841 /nfs/dbraw/zinc/07/58/41/621075841.db2.gz GDVOKOPRQHACQU-KBPBESRZSA-N 2 0 256.434 2.689 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000902429334 621075940 /nfs/dbraw/zinc/07/59/40/621075940.db2.gz FCCNONQTMTYBMG-QLFBSQMISA-N 2 0 250.430 2.933 20 0 CFADRP CC1(C)CC[C@@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902428738 621075972 /nfs/dbraw/zinc/07/59/72/621075972.db2.gz HIZLQYGFBIPCGU-GJZGRUSLSA-N 2 0 282.472 2.950 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000902428984 621076189 /nfs/dbraw/zinc/07/61/89/621076189.db2.gz IWJCUYRYULHNSQ-VHSXEESVSA-N 2 0 256.777 2.564 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000902431546 621077614 /nfs/dbraw/zinc/07/76/14/621077614.db2.gz SSCCUMWUVPMCJA-VSZNYVQBSA-N 2 0 294.483 2.686 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)OC1 ZINC000902432197 621077790 /nfs/dbraw/zinc/07/77/90/621077790.db2.gz VRSHDPYVRBVNQH-CAOSSQGBSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000902433914 621078847 /nfs/dbraw/zinc/07/88/47/621078847.db2.gz VLBGZDWJVOLNED-CABCVRRESA-N 2 0 282.472 2.935 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCOCC1 ZINC000902434675 621078922 /nfs/dbraw/zinc/07/89/22/621078922.db2.gz YZDVPGFBLKZXAM-OWCLPIDISA-N 2 0 294.483 2.805 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CCC(F)(F)CC1 ZINC000902443548 621082294 /nfs/dbraw/zinc/08/22/94/621082294.db2.gz LASXRRPODIHXJD-CMPLNLGQSA-N 2 0 260.372 2.788 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2([NH3+])CC2)cc1F ZINC000902413851 621084633 /nfs/dbraw/zinc/08/46/33/621084633.db2.gz OUSYDUXSUMDQJB-ZFWWWQNUSA-N 2 0 292.398 2.941 20 0 CFADRP CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc2c(c1)CCO2 ZINC000902473072 621085900 /nfs/dbraw/zinc/08/59/00/621085900.db2.gz PRLVYMFZWGORMJ-LVQVYYBASA-N 2 0 272.392 2.555 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448063 621090527 /nfs/dbraw/zinc/09/05/27/621090527.db2.gz XLSIBEWXCNSVOY-NYFQHYJGSA-N 2 0 290.476 2.961 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C12CCC2 ZINC000902453017 621092631 /nfs/dbraw/zinc/09/26/31/621092631.db2.gz BHMIDEXISBXFOO-QJPTWQEYSA-N 2 0 258.356 2.671 20 0 CFADRP FC1(F)CC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000902452775 621092644 /nfs/dbraw/zinc/09/26/44/621092644.db2.gz AOZATSKDOLSGEI-FKJOKYEKSA-N 2 0 258.356 2.685 20 0 CFADRP FC1(F)CC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000902453414 621093076 /nfs/dbraw/zinc/09/30/76/621093076.db2.gz CPANNPZOCPTMBW-AAVRWANBSA-N 2 0 272.383 2.790 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453410 621093119 /nfs/dbraw/zinc/09/31/19/621093119.db2.gz CCEFRKDQXKBQMX-CYBMUJFWSA-N 2 0 278.387 2.546 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902456372 621094185 /nfs/dbraw/zinc/09/41/85/621094185.db2.gz OMWPRHSYBWLAFG-BYHHXJKWSA-N 2 0 258.409 2.723 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000902455772 621094295 /nfs/dbraw/zinc/09/42/95/621094295.db2.gz YYGBSQGQTWMNIB-QWHCGFSZSA-N 2 0 268.470 2.925 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000902459740 621095522 /nfs/dbraw/zinc/09/55/22/621095522.db2.gz ZXPMWOZGDMKLSD-BFKVFCTQSA-N 2 0 272.383 2.917 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000902461779 621096994 /nfs/dbraw/zinc/09/69/94/621096994.db2.gz RQMJAYBUALCTBK-IUODEOHRSA-N 2 0 291.439 2.847 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1OC(F)F ZINC000902490566 621102036 /nfs/dbraw/zinc/10/20/36/621102036.db2.gz XHFTXMYFAMIOIP-DCAQKATOSA-N 2 0 270.323 2.676 20 0 CFADRP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000902481212 621109282 /nfs/dbraw/zinc/10/92/82/621109282.db2.gz BLDLYONLHMXECT-MRXNPFEDSA-N 2 0 280.456 2.848 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000902484793 621110851 /nfs/dbraw/zinc/11/08/51/621110851.db2.gz HQXLPOKKPWDPDK-KBRIMQKVSA-N 2 0 258.409 2.643 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1OC ZINC000902484754 621111076 /nfs/dbraw/zinc/11/10/76/621111076.db2.gz HIIXIYFBBMLNCV-XFMPKHEZSA-N 2 0 292.423 2.523 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000902484187 621111131 /nfs/dbraw/zinc/11/11/31/621111131.db2.gz FJEYNVURAZWNTF-YCEIQTCASA-N 3 0 299.462 2.509 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000902486142 621111495 /nfs/dbraw/zinc/11/14/95/621111495.db2.gz PYRPWKOEABJYIY-CSMYWGQOSA-N 2 0 285.366 2.637 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000902486386 621111552 /nfs/dbraw/zinc/11/15/52/621111552.db2.gz GKHCSWWQBSPZED-NUTKFTJISA-N 2 0 286.419 2.716 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000902485742 621111731 /nfs/dbraw/zinc/11/17/31/621111731.db2.gz NLBABCCGGUYJNY-WBIUFABUSA-N 2 0 268.351 2.989 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000902486636 621112138 /nfs/dbraw/zinc/11/21/38/621112138.db2.gz HNAFLIQUYZVETM-NHCYSSNCSA-N 2 0 292.814 2.615 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000902486417 621112210 /nfs/dbraw/zinc/11/22/10/621112210.db2.gz HBOBBKWXLXTBKA-GAJTVXKRSA-N 2 0 250.773 2.654 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902486975 621112243 /nfs/dbraw/zinc/11/22/43/621112243.db2.gz FXNANKQAXPQHAO-YDHLFZDLSA-N 2 0 262.397 2.862 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902489380 621113216 /nfs/dbraw/zinc/11/32/16/621113216.db2.gz POSGPUNJAMSANS-ABHRYQDASA-N 2 0 262.397 2.514 20 0 CFADRP Cc1nc2ccccn2c1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000902515207 621115021 /nfs/dbraw/zinc/11/50/21/621115021.db2.gz UPSNTKOTVGDWBF-CVEARBPZSA-N 2 0 292.386 2.877 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902516395 621115314 /nfs/dbraw/zinc/11/53/14/621115314.db2.gz DGISRTGAFCSCCU-IIAWOOMASA-N 2 0 292.398 2.572 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1Cc3ccc(Cl)cc3C1)[NH2+]2 ZINC000902518363 621115780 /nfs/dbraw/zinc/11/57/80/621115780.db2.gz PWFCEBTUEXQEGG-BDNDHPQMSA-N 2 0 290.838 2.926 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000902527668 621118147 /nfs/dbraw/zinc/11/81/47/621118147.db2.gz LTPQQLBTUJQRAQ-IAGOWNOFSA-N 2 0 291.439 2.699 20 0 CFADRP CNc1ccccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000902600512 621132692 /nfs/dbraw/zinc/13/26/92/621132692.db2.gz FJNCTRWKEGNCBN-UHFFFAOYSA-N 2 0 261.413 2.691 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1COc2ccccc2C1 ZINC000902721473 621157276 /nfs/dbraw/zinc/15/72/76/621157276.db2.gz YAQRMAIEPXXZLA-HOCLYGCPSA-N 2 0 290.451 2.804 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCOCC1 ZINC000902998344 621224279 /nfs/dbraw/zinc/22/42/79/621224279.db2.gz CNUMPQSZNHZHDF-ZBFHGGJFSA-N 2 0 270.461 2.615 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903065961 621238651 /nfs/dbraw/zinc/23/86/51/621238651.db2.gz JJUQGRMJTJTRFO-DUZACMNTSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@H]1C ZINC000903066838 621239234 /nfs/dbraw/zinc/23/92/34/621239234.db2.gz LXMVGGCGQWQDHK-QZWWFDLISA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000903066841 621239250 /nfs/dbraw/zinc/23/92/50/621239250.db2.gz LXMVGGCGQWQDHK-YYIAUSFCSA-N 2 0 295.515 2.673 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2[C@H](C)CC[C@@H](C)[C@@H]2C)CC1 ZINC000903067718 621239840 /nfs/dbraw/zinc/23/98/40/621239840.db2.gz WEWYFXYRJOVTDW-ZJPYXAASSA-N 2 0 295.515 2.674 20 0 CFADRP C[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)C1CCCC1 ZINC000903091528 621244377 /nfs/dbraw/zinc/24/43/77/621244377.db2.gz VQDALQYGGABOLG-DODVFSASSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC[C@H]1O ZINC000903105142 621254863 /nfs/dbraw/zinc/25/48/63/621254863.db2.gz QQIKRPXXGQMOKW-JQWQUYJUSA-N 2 0 292.467 2.675 20 0 CFADRP CC(C)(CCCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903112532 621259835 /nfs/dbraw/zinc/25/98/35/621259835.db2.gz HIWPETOONQQRJS-VHRNVKJDSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCOC1 ZINC000903146989 621268398 /nfs/dbraw/zinc/26/83/98/621268398.db2.gz LPNIVSZQCZMTBS-VGWXVEKNSA-N 2 0 278.440 2.549 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903146988 621268599 /nfs/dbraw/zinc/26/85/99/621268599.db2.gz LPNIVSZQCZMTBS-AZGATIOISA-N 2 0 278.440 2.549 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903148739 621272816 /nfs/dbraw/zinc/27/28/16/621272816.db2.gz WDYZYSQTVGTWOZ-CVGRLMLNSA-N 2 0 278.440 2.693 20 0 CFADRP CC(C)OCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903148933 621273037 /nfs/dbraw/zinc/27/30/37/621273037.db2.gz YETHEASQCDHLSW-ZXFUBFMLSA-N 2 0 280.456 2.939 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000903194049 621280822 /nfs/dbraw/zinc/28/08/22/621280822.db2.gz YDZOXUXGNKTKNW-ROUUACIJSA-N 2 0 295.430 2.994 20 0 CFADRP C(C[C@@H]1CCSC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903208967 621288217 /nfs/dbraw/zinc/28/82/17/621288217.db2.gz COQIOXJBXZAFLP-WPXLMEDKSA-N 2 0 280.481 2.877 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000903217185 621291443 /nfs/dbraw/zinc/29/14/43/621291443.db2.gz QWRNRMIZIJCRQN-ILXBQCJGSA-N 2 0 290.451 2.691 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903223534 621293124 /nfs/dbraw/zinc/29/31/24/621293124.db2.gz GRNMYXUSEXBXKY-IKKMQULASA-N 2 0 266.429 2.547 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000903252860 621299349 /nfs/dbraw/zinc/29/93/49/621299349.db2.gz NYFPHOWGTCVJBX-JQWQUYJUSA-N 2 0 290.451 2.691 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H](c2ccccn2)C2CC2)CC[N@@H+]1C ZINC000903338526 621334116 /nfs/dbraw/zinc/33/41/16/621334116.db2.gz IMXHFIRVUWRKMH-IVMMDQJWSA-N 2 0 259.397 2.605 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903427072 621370253 /nfs/dbraw/zinc/37/02/53/621370253.db2.gz STWHPEJHXDAVEH-OCCSQVGLSA-N 2 0 282.815 2.778 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430521 621371658 /nfs/dbraw/zinc/37/16/58/621371658.db2.gz VFPQGKIMCVBHRM-OLZOCXBDSA-N 2 0 282.815 2.778 20 0 CFADRP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)c1cccc(O)c1 ZINC000903431306 621371686 /nfs/dbraw/zinc/37/16/86/621371686.db2.gz RTLHDERRHDPVQO-GUTXKFCHSA-N 2 0 262.397 2.903 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903430648 621371989 /nfs/dbraw/zinc/37/19/89/621371989.db2.gz ZQEDNBYZKXREDX-JMSVASOKSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000903430025 621372096 /nfs/dbraw/zinc/37/20/96/621372096.db2.gz OAJMOOKSLGQNHZ-OCCSQVGLSA-N 2 0 262.372 2.646 20 0 CFADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)c1cccc(OC)c1 ZINC000903430757 621372177 /nfs/dbraw/zinc/37/21/77/621372177.db2.gz ADIVDDZYKJXWPV-YCPHGPKFSA-N 2 0 276.424 2.934 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)C1 ZINC000903431151 621372239 /nfs/dbraw/zinc/37/22/39/621372239.db2.gz PFYXQUFTZVHHKK-UAGQMJEPSA-N 2 0 276.399 2.960 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432841 621372512 /nfs/dbraw/zinc/37/25/12/621372512.db2.gz NGBFUNHIFCSFHC-MSOLQXFVSA-N 2 0 290.451 2.695 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431686 621372627 /nfs/dbraw/zinc/37/26/27/621372627.db2.gz VGFNEAFQWSMPQA-VYDXJSESSA-N 2 0 258.409 2.987 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)C1 ZINC000903432476 621372731 /nfs/dbraw/zinc/37/27/31/621372731.db2.gz CDRTUALJFSALRM-BJJXKVORSA-N 2 0 260.381 2.657 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431522 621372963 /nfs/dbraw/zinc/37/29/63/621372963.db2.gz XWXUXHPNMLUJEJ-CABCVRRESA-N 2 0 262.397 2.515 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCc2ccccc2C1 ZINC000903438708 621375523 /nfs/dbraw/zinc/37/55/23/621375523.db2.gz ZSUSOKFRBBLGJF-COXVUDFISA-N 2 0 258.409 2.603 20 0 CFADRP C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440390 621377163 /nfs/dbraw/zinc/37/71/63/621377163.db2.gz WKJQGBQRJXCVDM-ZOWXZIJZSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000903458557 621380002 /nfs/dbraw/zinc/38/00/02/621380002.db2.gz DDWBNGPESZCCKQ-LMSBXDPUSA-N 2 0 288.435 2.599 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000903458576 621380021 /nfs/dbraw/zinc/38/00/21/621380021.db2.gz DQFMIBAKBCZZJZ-BURFUSLBSA-N 2 0 288.435 2.871 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903458810 621380389 /nfs/dbraw/zinc/38/03/89/621380389.db2.gz KHOXBQFFDKOHAV-IUODEOHRSA-N 2 0 257.381 2.585 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCc2ccc(F)cc21 ZINC000903461036 621381409 /nfs/dbraw/zinc/38/14/09/621381409.db2.gz NNLRNEMAAJMJFW-IOASZLSFSA-N 2 0 276.399 2.915 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000903442437 621382464 /nfs/dbraw/zinc/38/24/64/621382464.db2.gz QJIQCAGYBLTFEB-RCCFBDPRSA-N 2 0 293.499 2.702 20 0 CFADRP C(COC1CCSCC1)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000903445328 621383855 /nfs/dbraw/zinc/38/38/55/621383855.db2.gz HDAHZYPOCXDRAS-HOTGVXAUSA-N 2 0 298.496 2.505 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903450494 621386397 /nfs/dbraw/zinc/38/63/97/621386397.db2.gz XJBATWFXBYBZIN-ZDUSSCGKSA-N 2 0 257.381 2.729 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903453649 621387335 /nfs/dbraw/zinc/38/73/35/621387335.db2.gz GXDRBJCQHHNAOE-OLZOCXBDSA-N 2 0 260.372 2.886 20 0 CFADRP c1cc2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2[nH]1 ZINC000903452131 621387373 /nfs/dbraw/zinc/38/73/73/621387373.db2.gz HQJUYRIKTKSLJU-QGZVFWFLSA-N 2 0 283.419 2.989 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903452370 621387388 /nfs/dbraw/zinc/38/73/88/621387388.db2.gz LKPAJXSIYUUUHF-KFWWJZLASA-N 2 0 280.362 2.706 20 0 CFADRP c1cc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2[nH]1 ZINC000903454141 621388189 /nfs/dbraw/zinc/38/81/89/621388189.db2.gz VUABGINQQCQLPF-IRXDYDNUSA-N 2 0 283.419 2.989 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ccsc2)CC1 ZINC000903455963 621388623 /nfs/dbraw/zinc/38/86/23/621388623.db2.gz AEDCMTRBUXZQOS-DOMZBBRYSA-N 2 0 264.438 2.783 20 0 CFADRP FC1(F)CCC[C@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470412 621389003 /nfs/dbraw/zinc/38/90/03/621389003.db2.gz BDXRMAXDUQOMBO-NWDGAFQWSA-N 2 0 258.356 2.686 20 0 CFADRP c1ccc(CCOCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469294 621389356 /nfs/dbraw/zinc/38/93/56/621389356.db2.gz SQVUKHYNMMWNCX-QGZVFWFLSA-N 2 0 288.435 2.510 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903474983 621390476 /nfs/dbraw/zinc/39/04/76/621390476.db2.gz XSSBXTPKIJINSH-ZBFHGGJFSA-N 2 0 276.424 2.763 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](OC3CCC3)CC2)C1 ZINC000903476122 621390918 /nfs/dbraw/zinc/39/09/18/621390918.db2.gz OCGCGOBHNGCOIK-LZWOXQAQSA-N 2 0 266.429 2.537 20 0 CFADRP COc1cccc(SCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903498253 621393910 /nfs/dbraw/zinc/39/39/10/621393910.db2.gz AEYSPQBIELDYKK-ZIAGYGMSSA-N 2 0 294.464 2.704 20 0 CFADRP FC1(F)C[C@]2(CC[N@H+](CCC3CC[NH2+]CC3)C2)C1(F)F ZINC000903490887 621394610 /nfs/dbraw/zinc/39/46/10/621394610.db2.gz LKQZTFAMXFVMGW-LBPRGKRZSA-N 2 0 294.336 2.743 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903490737 621394674 /nfs/dbraw/zinc/39/46/74/621394674.db2.gz GCLJIVFBTLEQRN-DLBZAZTESA-N 2 0 258.409 2.779 20 0 CFADRP c1ccc([C@@]23C[C@@H]2C[N@@H+](CCC2CC[NH2+]CC2)C3)cc1 ZINC000903490952 621394789 /nfs/dbraw/zinc/39/47/89/621394789.db2.gz OPTDGBBQECSIKU-MSOLQXFVSA-N 2 0 270.420 2.650 20 0 CFADRP C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510726 621395534 /nfs/dbraw/zinc/39/55/34/621395534.db2.gz JMQJMOLFLBGYDH-ZYSHUDEJSA-N 2 0 299.462 2.648 20 0 CFADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000903565774 621396558 /nfs/dbraw/zinc/39/65/58/621396558.db2.gz PXAXWKJXRJSFBK-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000903575973 621398241 /nfs/dbraw/zinc/39/82/41/621398241.db2.gz XEGWUZXBUMSMAH-OAHLLOKOSA-N 2 0 261.413 2.539 20 0 CFADRP C[N@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000903716616 621424638 /nfs/dbraw/zinc/42/46/38/621424638.db2.gz AGELAHFGLHMJOI-FIYWTHMPSA-N 2 0 294.361 2.688 20 0 CFADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(F)c(Cl)c1)C1CC1 ZINC000903717719 621424801 /nfs/dbraw/zinc/42/48/01/621424801.db2.gz UBQMKRPBEKVZRL-CQSZACIVSA-N 2 0 286.778 2.575 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718224 621425599 /nfs/dbraw/zinc/42/55/99/621425599.db2.gz IVXVFGIRDRBRGV-HOTGVXAUSA-N 2 0 294.826 2.540 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903722241 621426221 /nfs/dbraw/zinc/42/62/21/621426221.db2.gz JGNAMMOSELCGCL-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP Cc1cc([C@@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)on1 ZINC000903723635 621426819 /nfs/dbraw/zinc/42/68/19/621426819.db2.gz XHVXFBIWUPNIKY-KGLIPLIRSA-N 2 0 263.385 2.510 20 0 CFADRP C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903723562 621426927 /nfs/dbraw/zinc/42/69/27/621426927.db2.gz INKNVTNUCZUVFL-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP C(C1CC1)[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCCCC1 ZINC000903725764 621428393 /nfs/dbraw/zinc/42/83/93/621428393.db2.gz GWTABGBHJJATBQ-ZWKOTPCHSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728385 621428843 /nfs/dbraw/zinc/42/88/43/621428843.db2.gz AEOLFOPWSISCJY-TWMKSMIVSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@]1(C)CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903728893 621428922 /nfs/dbraw/zinc/42/89/22/621428922.db2.gz GXPHPSOPWGXIGY-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@@H](C)C[N@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731883 621429379 /nfs/dbraw/zinc/42/93/79/621429379.db2.gz DAUYVXOIWMVJCN-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903732609 621430291 /nfs/dbraw/zinc/43/02/91/621430291.db2.gz GWCGTEKMKOEVFE-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCCC[NH2+]C2)ccn1 ZINC000903751529 621432968 /nfs/dbraw/zinc/43/29/68/621432968.db2.gz GFHYJWXPBVLPQJ-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903752032 621432973 /nfs/dbraw/zinc/43/29/73/621432973.db2.gz OZZHJKUXPKLCFT-DOTOQJQBSA-N 2 0 273.424 2.662 20 0 CFADRP c1cncc(CC2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903752972 621433137 /nfs/dbraw/zinc/43/31/37/621433137.db2.gz REGWGPYFYXXIJX-SFHVURJKSA-N 2 0 287.451 2.726 20 0 CFADRP CC(C)C[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903735231 621433754 /nfs/dbraw/zinc/43/37/54/621433754.db2.gz YQOXUAIWNFFZAE-BBWFWOEESA-N 2 0 280.456 2.513 20 0 CFADRP CCC[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733737 621433758 /nfs/dbraw/zinc/43/37/58/621433758.db2.gz MUOHYKKNCNFMFD-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733622 621433967 /nfs/dbraw/zinc/43/39/67/621433967.db2.gz LQUDLCHDRVLCAU-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903744703 621435416 /nfs/dbraw/zinc/43/54/16/621435416.db2.gz XFNZEHXWOXUFIT-GHMZBOCLSA-N 2 0 286.778 2.527 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760244 621436015 /nfs/dbraw/zinc/43/60/15/621436015.db2.gz WJCYKLTWWKKUQH-SQNIBIBYSA-N 2 0 288.435 2.742 20 0 CFADRP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766869 621437098 /nfs/dbraw/zinc/43/70/98/621437098.db2.gz CDRBFRVUZWMSKJ-BZSNNMDCSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](CCCc2ccncc2)CC1 ZINC000903791090 621439077 /nfs/dbraw/zinc/43/90/77/621439077.db2.gz MEBBLGGJLGGXIM-UHFFFAOYSA-N 2 0 275.440 2.711 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)O1 ZINC000903792541 621439174 /nfs/dbraw/zinc/43/91/74/621439174.db2.gz DHTRABZAJVFRDV-WBVHZDCISA-N 2 0 288.435 2.546 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903778388 621439979 /nfs/dbraw/zinc/43/99/79/621439979.db2.gz MOVJDWTYTGQBNW-NUJGCVRESA-N 2 0 288.435 2.756 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C[C@H]1CCCC[NH2+]C1 ZINC000903778504 621440009 /nfs/dbraw/zinc/44/00/09/621440009.db2.gz NRPMEXGNMUBXLQ-BBRMVZONSA-N 2 0 273.424 2.675 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903776849 621440151 /nfs/dbraw/zinc/44/01/51/621440151.db2.gz WZSQHEAAFXDWOS-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C ZINC000903780084 621440502 /nfs/dbraw/zinc/44/05/02/621440502.db2.gz CWLWFRBMFADJHJ-GJZGRUSLSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903781142 621441051 /nfs/dbraw/zinc/44/10/51/621441051.db2.gz OWJSOARTTCCHKY-GOSISDBHSA-N 3 0 295.515 2.676 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000903784389 621441478 /nfs/dbraw/zinc/44/14/78/621441478.db2.gz NCUSMMBBPPMLFS-WMZOPIPTSA-N 2 0 294.483 2.905 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccncc2)CCC1 ZINC000903811064 621446690 /nfs/dbraw/zinc/44/66/90/621446690.db2.gz JBZQIIFOOJLQJD-OAHLLOKOSA-N 2 0 259.397 2.565 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)o1 ZINC000903810972 621447019 /nfs/dbraw/zinc/44/70/19/621447019.db2.gz ILRCULHHIZPSPH-OAHLLOKOSA-N 2 0 277.412 2.775 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)O1 ZINC000903810726 621447052 /nfs/dbraw/zinc/44/70/52/621447052.db2.gz GCASXKIFEVPDDX-QLFBSQMISA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[C@@H](C3CC3)O2)CCC1 ZINC000903812993 621447462 /nfs/dbraw/zinc/44/74/62/621447462.db2.gz WWIYGOGXKSMAFI-ULQDDVLXSA-N 2 0 292.467 2.928 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1)C1CC1 ZINC000903812645 621447816 /nfs/dbraw/zinc/44/78/16/621447816.db2.gz VNAFKQKYZSFCLE-HOTGVXAUSA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(CC3CCCCC3)CC2)C1 ZINC000903823946 621449682 /nfs/dbraw/zinc/44/96/82/621449682.db2.gz LUEGCJMAOKKYFF-ULQDDVLXSA-N 2 0 280.456 2.519 20 0 CFADRP Fc1ccc(OC[C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000903826886 621451141 /nfs/dbraw/zinc/45/11/41/621451141.db2.gz MMKFKGHAUBLUQS-HOCLYGCPSA-N 2 0 292.398 2.669 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903832308 621452082 /nfs/dbraw/zinc/45/20/82/621452082.db2.gz PWOKHBWATFDTNW-OAHLLOKOSA-N 2 0 298.434 2.898 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903832372 621452105 /nfs/dbraw/zinc/45/21/05/621452105.db2.gz QPZLPJKQDYXUDK-CQSZACIVSA-N 2 0 284.407 2.508 20 0 CFADRP c1cnc2c(c1)cccc2CN1CCC[C@@]12CC[NH2+]C2 ZINC000903867250 621454123 /nfs/dbraw/zinc/45/41/23/621454123.db2.gz OOFSKRRUJRWAHI-KRWDZBQOSA-N 2 0 267.376 2.563 20 0 CFADRP CCCC[NH+](CCCC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873410 621462116 /nfs/dbraw/zinc/46/21/16/621462116.db2.gz QLDWAHLIAAYVGL-OAHLLOKOSA-N 2 0 293.459 2.605 20 0 CFADRP C[N@H+](CCOc1ccccc1F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903876272 621462650 /nfs/dbraw/zinc/46/26/50/621462650.db2.gz GNANIMGHFFXUKK-GOOCMWNKSA-N 2 0 292.398 2.667 20 0 CFADRP Cc1ccccc1N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878514 621463433 /nfs/dbraw/zinc/46/34/33/621463433.db2.gz WPEWMUYNTFPPBU-AYHJJNSGSA-N 2 0 299.462 2.648 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000903883276 621463965 /nfs/dbraw/zinc/46/39/65/621463965.db2.gz GYECGIXQFLXJIZ-NQKGRLOXSA-N 2 0 275.396 2.651 20 0 CFADRP CC[C@@H]1CCCCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903894867 621465725 /nfs/dbraw/zinc/46/57/25/621465725.db2.gz GXCRHDOPLYNEOH-DOTOQJQBSA-N 2 0 292.471 2.501 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000903898227 621467092 /nfs/dbraw/zinc/46/70/92/621467092.db2.gz MNOCLBIFBNVXBN-WFDRTZIDSA-N 2 0 280.481 2.877 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903906132 621469522 /nfs/dbraw/zinc/46/95/22/621469522.db2.gz STNCXSDPLDBVSE-AYHJJNSGSA-N 3 0 293.499 2.571 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000903939232 621474546 /nfs/dbraw/zinc/47/45/46/621474546.db2.gz XCTXROZHHPGTQT-UHFFFAOYSA-N 2 0 290.329 2.845 20 0 CFADRP Cc1cccc2c1CCC[C@H]2[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903932667 621476421 /nfs/dbraw/zinc/47/64/21/621476421.db2.gz FEBHTTZGFOLKLS-BXUZGUMPSA-N 2 0 268.351 2.945 20 0 CFADRP C[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)[C@H]1CC2CCC1CC2 ZINC000903932184 621476651 /nfs/dbraw/zinc/47/66/51/621476651.db2.gz NYTROCYAEREYLV-HQXFNHHZSA-N 2 0 260.372 2.773 20 0 CFADRP c1coc(C2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903932798 621476816 /nfs/dbraw/zinc/47/68/16/621476816.db2.gz HHKSACAPFUQOCA-VHRNVKJDSA-N 2 0 274.408 2.990 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCC(C)(C)[NH3+] ZINC000903939337 621477947 /nfs/dbraw/zinc/47/79/47/621477947.db2.gz GIOHUQNTJZCUCG-LBPRGKRZSA-N 2 0 274.412 2.601 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957298 621478667 /nfs/dbraw/zinc/47/86/67/621478667.db2.gz PRQRAHXQYDPUGN-WCQYABFASA-N 2 0 286.341 2.591 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000903958161 621479945 /nfs/dbraw/zinc/47/99/45/621479945.db2.gz WIHZCWJCFLCYMS-DGCLKSJQSA-N 2 0 286.341 2.764 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@@]3(CC[NH2+]C3)C1)CO2 ZINC000903959685 621480458 /nfs/dbraw/zinc/48/04/58/621480458.db2.gz MJGHIBMDPOLKOZ-IBGZPJMESA-N 2 0 298.430 2.928 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000903959941 621480665 /nfs/dbraw/zinc/48/06/65/621480665.db2.gz SJCOQNDVTYSURS-MQIPJXDCSA-N 2 0 262.372 2.791 20 0 CFADRP COCC[N@H+](Cc1ccc(C)cc1C)C[C@@]1(C)CC[NH2+]C1 ZINC000903962119 621481176 /nfs/dbraw/zinc/48/11/76/621481176.db2.gz JFQILHVQSGJNFP-SFHVURJKSA-N 2 0 290.451 2.751 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000903941194 621482240 /nfs/dbraw/zinc/48/22/40/621482240.db2.gz QCEVEUPXJMQRTA-UHFFFAOYSA-N 2 0 289.192 2.805 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000903946849 621484671 /nfs/dbraw/zinc/48/46/71/621484671.db2.gz DITOOLQBJBJJSQ-UHFFFAOYSA-N 2 0 285.391 2.644 20 0 CFADRP C[C@]1(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000903947824 621485837 /nfs/dbraw/zinc/48/58/37/621485837.db2.gz IQHXTLPCZTXFEV-IRXDYDNUSA-N 2 0 280.456 2.515 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000903953895 621489461 /nfs/dbraw/zinc/48/94/61/621489461.db2.gz NFLZCMTXFYFUCG-GDBMZVCRSA-N 2 0 293.480 2.706 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955717 621490078 /nfs/dbraw/zinc/49/00/78/621490078.db2.gz AQKKUVHSHISNEM-RWMBFGLXSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955747 621490313 /nfs/dbraw/zinc/49/03/13/621490313.db2.gz AXEWQHDYCIPZMU-UWVGGRQHSA-N 2 0 288.304 2.942 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956657 621490846 /nfs/dbraw/zinc/49/08/46/621490846.db2.gz MKSNSOKXWCASAZ-UKRRQHHQSA-N 2 0 282.378 2.842 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000903956745 621491011 /nfs/dbraw/zinc/49/10/11/621491011.db2.gz NXHHPVCJUSTXKK-VOAKCMCISA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000903973423 621492359 /nfs/dbraw/zinc/49/23/59/621492359.db2.gz CTYOYPMDJUFWPE-SLBVQIDZSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1c(F)cccc1Cl ZINC000903974789 621492668 /nfs/dbraw/zinc/49/26/68/621492668.db2.gz SNIVWVLCXCFJIV-GHMZBOCLSA-N 2 0 270.779 2.814 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1Cl ZINC000903974400 621492711 /nfs/dbraw/zinc/49/27/11/621492711.db2.gz POWRWEVNERYFLE-VXGBXAGGSA-N 2 0 252.789 2.675 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(F)cc1Cl ZINC000903974434 621493065 /nfs/dbraw/zinc/49/30/65/621493065.db2.gz MPEVMXRBENHKGC-GHMZBOCLSA-N 2 0 270.779 2.814 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)C[C@H]1CC[NH3+] ZINC000903976832 621493599 /nfs/dbraw/zinc/49/35/99/621493599.db2.gz COAUCXZDYKQGMI-VXGBXAGGSA-N 2 0 281.469 2.857 20 0 CFADRP Cc1ncc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1-c1ccccc1 ZINC000903977520 621493625 /nfs/dbraw/zinc/49/36/25/621493625.db2.gz RTDTYDDDYKIWIC-GDBMZVCRSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)CC[NH2+]1 ZINC000903978648 621493990 /nfs/dbraw/zinc/49/39/90/621493990.db2.gz JDJKVUBWGTUFMT-AHCXZYCDSA-N 2 0 270.420 2.648 20 0 CFADRP Cc1nc2ccc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)cc2s1 ZINC000903978956 621494475 /nfs/dbraw/zinc/49/44/75/621494475.db2.gz PRVZHDOGBDUJFH-BXUZGUMPSA-N 2 0 289.448 2.940 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000903964789 621495712 /nfs/dbraw/zinc/49/57/12/621495712.db2.gz VWLMKQDHBDXHFA-LHUBUQBQSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC000903964338 621495909 /nfs/dbraw/zinc/49/59/09/621495909.db2.gz JSJBAAGJKJQZQY-CJNGLKHVSA-N 2 0 254.377 2.785 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1Cl ZINC000903967760 621496196 /nfs/dbraw/zinc/49/61/96/621496196.db2.gz NNPIENWCNBNKDM-YPMHNXCESA-N 2 0 252.789 2.594 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000903985910 621498475 /nfs/dbraw/zinc/49/84/75/621498475.db2.gz COHGISIGKXHZJM-UHFFFAOYSA-N 3 0 279.472 2.643 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986932 621499021 /nfs/dbraw/zinc/49/90/21/621499021.db2.gz TZMZMSYIOMZYFD-PBHCIXSXSA-N 3 0 293.499 2.904 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299250 621568119 /nfs/dbraw/zinc/56/81/19/621568119.db2.gz AFWCFNDUACJQCA-CJNGLKHVSA-N 2 0 274.408 2.571 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)C[C@@H]21 ZINC000904302619 621569074 /nfs/dbraw/zinc/56/90/74/621569074.db2.gz XFKNPVHHFHARAB-YESZJQIVSA-N 2 0 286.419 2.571 20 0 CFADRP Cn1cccc1[C@H]1CCC[N@@H+]1C[C@]1(C)CCC[NH2+]C1 ZINC000904304245 621569371 /nfs/dbraw/zinc/56/93/71/621569371.db2.gz WNLVJCQWUXHQEE-HZPDHXFCSA-N 2 0 261.413 2.552 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307779 621570082 /nfs/dbraw/zinc/57/00/82/621570082.db2.gz WFPMHGVLMJWDQE-JBLDHEPKSA-N 2 0 254.324 2.695 20 0 CFADRP C[NH+](C)CCC1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904311780 621570682 /nfs/dbraw/zinc/57/06/82/621570682.db2.gz BWIKRRGZTBCBAP-MRXNPFEDSA-N 2 0 283.504 2.804 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904312368 621570808 /nfs/dbraw/zinc/57/08/08/621570808.db2.gz IQVQOGRWTPWLGF-GOSISDBHSA-N 2 0 290.451 2.949 20 0 CFADRP C[C@]1(C[N@@H+]2CCCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000904313623 621571804 /nfs/dbraw/zinc/57/18/04/621571804.db2.gz XBTRLROSJWKFGG-SFHVURJKSA-N 2 0 287.451 2.588 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1C ZINC000904317439 621572199 /nfs/dbraw/zinc/57/21/99/621572199.db2.gz WABZVJRKKZSUAK-KRWDZBQOSA-N 2 0 276.424 2.825 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000904337479 621572253 /nfs/dbraw/zinc/57/22/53/621572253.db2.gz AIGODRNEXHVRPV-GASCZTMLSA-N 2 0 294.389 2.957 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000904317123 621572400 /nfs/dbraw/zinc/57/24/00/621572400.db2.gz XDMABJZRGNQFDO-VDISTLRHSA-N 2 0 280.362 2.882 20 0 CFADRP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904318768 621572977 /nfs/dbraw/zinc/57/29/77/621572977.db2.gz VROINIJLYPUGMT-LZWOXQAQSA-N 2 0 274.408 2.960 20 0 CFADRP C[N@H+](CCC1CCOCC1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904322493 621574022 /nfs/dbraw/zinc/57/40/22/621574022.db2.gz DARYZSDNNDWSJQ-OAHLLOKOSA-N 2 0 270.461 2.889 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@H+](CCc2cccc(F)c2)C2CC2)C1 ZINC000904322174 621574205 /nfs/dbraw/zinc/57/42/05/621574205.db2.gz QPKHBTLQJVSQMK-OTVXOJSOSA-N 2 0 262.372 2.570 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000904324097 621574816 /nfs/dbraw/zinc/57/48/16/621574816.db2.gz UPMSQPBGCTWSCW-CVEARBPZSA-N 2 0 281.488 2.558 20 0 CFADRP C[C@@H]1SCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000904324109 621574823 /nfs/dbraw/zinc/57/48/23/621574823.db2.gz UVRNJOYSNPALQO-UGQVUOCMSA-N 2 0 276.449 2.902 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)C1 ZINC000904324008 621575082 /nfs/dbraw/zinc/57/50/82/621575082.db2.gz BIXSOOQDSXETPP-KFWWJZLASA-N 2 0 276.449 2.838 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904326912 621576043 /nfs/dbraw/zinc/57/60/43/621576043.db2.gz SWPVUVSJHZSMEE-GASCZTMLSA-N 2 0 262.397 2.643 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904327021 621576476 /nfs/dbraw/zinc/57/64/76/621576476.db2.gz XDJKIPJDYUJKNG-PHIMTYICSA-N 2 0 256.752 2.648 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000904331433 621576951 /nfs/dbraw/zinc/57/69/51/621576951.db2.gz HSASAVGADKORNA-JSGCOSHPSA-N 2 0 267.442 2.568 20 0 CFADRP Cc1ccc(C)c(OC2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000904336541 621577622 /nfs/dbraw/zinc/57/76/22/621577622.db2.gz SDIBZWQSTPUWCK-IYBDPMFKSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904343504 621578662 /nfs/dbraw/zinc/57/86/62/621578662.db2.gz UTFXILIZQHDQEV-MAZHCROVSA-N 2 0 262.372 2.526 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904342332 621579044 /nfs/dbraw/zinc/57/90/44/621579044.db2.gz DHVCVBXUCBTCJE-SJORKVTESA-N 2 0 295.515 2.804 20 0 CFADRP COCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@H]1CC[C@H](C)C1 ZINC000904345165 621579677 /nfs/dbraw/zinc/57/96/77/621579677.db2.gz DTQFYPUQGCAPFK-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345558 621579705 /nfs/dbraw/zinc/57/97/05/621579705.db2.gz KDXPCFHDHAVVKZ-TXEJJXNPSA-N 2 0 288.313 2.754 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@H](C[NH3+])C1CCCCC1 ZINC000904352993 621580866 /nfs/dbraw/zinc/58/08/66/621580866.db2.gz FROIKEXZBFPFOX-HUUCEWRRSA-N 2 0 269.477 2.637 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN[C@@H](C[NH3+])C1CCCCC1 ZINC000904352992 621581257 /nfs/dbraw/zinc/58/12/57/621581257.db2.gz FROIKEXZBFPFOX-GJZGRUSLSA-N 2 0 269.477 2.637 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN[C@@H](C[NH3+])C1CCCCC1 ZINC000904352991 621581313 /nfs/dbraw/zinc/58/13/13/621581313.db2.gz FROIKEXZBFPFOX-CABCVRRESA-N 2 0 269.477 2.637 20 0 CFADRP Fc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1C(F)F ZINC000904354622 621581655 /nfs/dbraw/zinc/58/16/55/621581655.db2.gz HVIHFPJJOYVKDB-ZDUSSCGKSA-N 2 0 284.325 2.995 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CNc1ccc(OCC[NH3+])cc1 ZINC000904355623 621581807 /nfs/dbraw/zinc/58/18/07/621581807.db2.gz PWZBUUARWGAIBK-ZDUSSCGKSA-N 2 0 279.428 2.590 20 0 CFADRP Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1Br ZINC000904355242 621581866 /nfs/dbraw/zinc/58/18/66/621581866.db2.gz OPNNKEXJLZTJLQ-YPMHNXCESA-N 2 0 297.240 2.975 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CNc1ccc(OCC[NH3+])cc1 ZINC000904355620 621581912 /nfs/dbraw/zinc/58/19/12/621581912.db2.gz PWZBUUARWGAIBK-CYBMUJFWSA-N 2 0 279.428 2.590 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000904360162 621582341 /nfs/dbraw/zinc/58/23/41/621582341.db2.gz IPTKHGARVQCSEL-YJNKXOJESA-N 2 0 268.445 2.687 20 0 CFADRP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361147 621582886 /nfs/dbraw/zinc/58/28/86/621582886.db2.gz WLCSJSFBXQQWIP-UOVKNHIHSA-N 2 0 282.815 2.743 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904362257 621583257 /nfs/dbraw/zinc/58/32/57/621583257.db2.gz KSIWNMJFOIDITL-QGZVFWFLSA-N 2 0 276.424 2.607 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+]C1CC(C[NH3+])C1 ZINC000904362375 621583433 /nfs/dbraw/zinc/58/34/33/621583433.db2.gz LMVMCOXIGAYROS-IYXRBSQSSA-N 2 0 294.464 2.750 20 0 CFADRP CC[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)[C@@H]1CCCO1 ZINC000904362581 621583687 /nfs/dbraw/zinc/58/36/87/621583687.db2.gz OLWRTIUHDXGLJE-RDBSUJKOSA-N 2 0 256.434 2.687 20 0 CFADRP [NH3+]CC1CC([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000904364508 621585314 /nfs/dbraw/zinc/58/53/14/621585314.db2.gz MHMNIAHSKWXMIK-FDZGAKKTSA-N 2 0 250.773 2.654 20 0 CFADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904366438 621585773 /nfs/dbraw/zinc/58/57/73/621585773.db2.gz KONACVRMIARJJK-IUODEOHRSA-N 2 0 294.487 2.711 20 0 CFADRP C[C@]1(C[NH+]2CCC(c3ccco3)CC2)CCC[NH2+]C1 ZINC000904377228 621587553 /nfs/dbraw/zinc/58/75/53/621587553.db2.gz LHSBUPFVYBMSNV-INIZCTEOSA-N 2 0 262.397 2.849 20 0 CFADRP CCC[N@@H+](Cc1ccccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904378439 621587862 /nfs/dbraw/zinc/58/78/62/621587862.db2.gz CSFKZXRSTONEAY-XBXGTLAGSA-N 2 0 250.361 2.775 20 0 CFADRP C[C@@H]1CCN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H](C)O1 ZINC000904378637 621587880 /nfs/dbraw/zinc/58/78/80/621587880.db2.gz GEOCITXMLLWZJU-HZSPNIEDSA-N 2 0 256.434 2.639 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904388185 621589751 /nfs/dbraw/zinc/58/97/51/621589751.db2.gz FYJATAZYLNMCIF-KOLCDFICSA-N 2 0 272.314 2.708 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000904405966 621590620 /nfs/dbraw/zinc/59/06/20/621590620.db2.gz BLPLBGPSGBZELS-SNVBAGLBSA-N 2 0 272.314 2.934 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)cc2c1 ZINC000904406148 621591094 /nfs/dbraw/zinc/59/10/94/621591094.db2.gz SCLCZDNZRGIGOM-GFCCVEGCSA-N 2 0 274.364 2.612 20 0 CFADRP CCCCn1nc(C)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1Cl ZINC000904409955 621591312 /nfs/dbraw/zinc/59/13/12/621591312.db2.gz KYUXMFLUYGBAPE-CYBMUJFWSA-N 2 0 298.862 2.816 20 0 CFADRP C[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1C[NH3+] ZINC000904410042 621591957 /nfs/dbraw/zinc/59/19/57/621591957.db2.gz LTVXXUPBALZKEO-HOCLYGCPSA-N 2 0 278.465 2.837 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1OC(C)C ZINC000904410984 621591967 /nfs/dbraw/zinc/59/19/67/621591967.db2.gz SBCXPSQORUJPJY-AWEZNQCLSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(F)cc1 ZINC000904411304 621592778 /nfs/dbraw/zinc/59/27/78/621592778.db2.gz UIIUUWAHOURUSH-NFAWXSAZSA-N 2 0 264.388 2.846 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000904412007 621593159 /nfs/dbraw/zinc/59/31/59/621593159.db2.gz ZMEIBPHLZIFERV-AWEZNQCLSA-N 2 0 291.414 2.597 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000904412441 621593583 /nfs/dbraw/zinc/59/35/83/621593583.db2.gz SMQITYAXNDAWHJ-GDBMZVCRSA-N 2 0 298.434 2.802 20 0 CFADRP FC1(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000904417038 621593949 /nfs/dbraw/zinc/59/39/49/621593949.db2.gz XMQPTGANYCPSQS-CYBMUJFWSA-N 2 0 254.393 2.590 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000904459420 621599857 /nfs/dbraw/zinc/59/98/57/621599857.db2.gz RMDJWFAVDFUOLG-UHFFFAOYSA-N 2 0 296.414 2.885 20 0 CFADRP CC(C)([NH3+])c1ccc(NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904473786 621601778 /nfs/dbraw/zinc/60/17/78/621601778.db2.gz CZOBNALWBGXVRA-MRXNPFEDSA-N 2 0 261.413 2.682 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)s1 ZINC000904860001 621655659 /nfs/dbraw/zinc/65/56/59/621655659.db2.gz WCACGBKXGZCLNV-CYBMUJFWSA-N 2 0 288.420 2.691 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4[NH2+]3)n2)CCCC1 ZINC000905305541 621746498 /nfs/dbraw/zinc/74/64/98/621746498.db2.gz NSGZJWPIKNLUQL-AGIUHOORSA-N 2 0 290.411 2.781 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3CC[C@H]4CCCC[C@H]4[NH2+]3)n2)CCCC1 ZINC000905305543 621746592 /nfs/dbraw/zinc/74/65/92/621746592.db2.gz NSGZJWPIKNLUQL-UPJWGTAASA-N 2 0 290.411 2.781 20 0 CFADRP [NH3+]C1CC(NCc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000906510467 621995599 /nfs/dbraw/zinc/99/55/99/621995599.db2.gz JDAYWUYZTNNGBN-UHFFFAOYSA-N 2 0 278.705 2.938 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)C[C@@H]2C1 ZINC000906587595 622006250 /nfs/dbraw/zinc/00/62/50/622006250.db2.gz BTBDIOSNZKMUPJ-WTTBNOFXSA-N 2 0 274.383 2.565 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2([NH3+])C[C@@H]2c2ccccc2)cc1 ZINC000911846867 622563310 /nfs/dbraw/zinc/56/33/10/622563310.db2.gz OMFITMTYGSCJEO-BJOOFOGMSA-N 2 0 295.386 2.530 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C1(Cl)CC1 ZINC000924842701 622571088 /nfs/dbraw/zinc/57/10/88/622571088.db2.gz HTBPZAKDYKSHLD-LLVKDONJSA-N 2 0 256.821 2.753 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000924846178 622720705 /nfs/dbraw/zinc/72/07/05/622720705.db2.gz LNHHOLBLQWGDKJ-HNNXBMFYSA-N 2 0 275.440 2.867 20 0 CFADRP Cc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000820810576 622762992 /nfs/dbraw/zinc/76/29/92/622762992.db2.gz ZPNNTFXQZQEZRX-ZNXRZULTSA-N 2 0 285.435 2.680 20 0 CFADRP Cc1c(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cnn1C ZINC000820830533 622769799 /nfs/dbraw/zinc/76/97/99/622769799.db2.gz VOUDWGMUVHEUKK-ZDUSSCGKSA-N 2 0 286.423 2.641 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000227057552 623097341 /nfs/dbraw/zinc/09/73/41/623097341.db2.gz VRNXLQRTZISLHB-BLLLJJGKSA-N 2 0 269.392 2.712 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@H]21 ZINC000228471425 623145122 /nfs/dbraw/zinc/14/51/22/623145122.db2.gz FXHFXYITWXWUCX-DAXOMENPSA-N 2 0 294.826 2.778 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000822691404 623152998 /nfs/dbraw/zinc/15/29/98/623152998.db2.gz JBPQAKFDLJWJFH-FRRDWIJNSA-N 2 0 291.266 2.986 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(F)c2)C[C@H](C)O1 ZINC000062253083 623254582 /nfs/dbraw/zinc/25/45/82/623254582.db2.gz CNMQJUZJFNZPRR-GASCZTMLSA-N 2 0 294.414 2.805 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1ccc(Cl)nc1 ZINC000230709838 623293287 /nfs/dbraw/zinc/29/32/87/623293287.db2.gz YGHZRHASJRUHSG-UHFFFAOYSA-N 2 0 255.793 2.509 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000062862644 623300829 /nfs/dbraw/zinc/30/08/29/623300829.db2.gz FYBSEFDRBWSSOH-IINYFYTJSA-N 2 0 267.442 2.800 20 0 CFADRP Clc1ncccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200526 623332589 /nfs/dbraw/zinc/33/25/89/623332589.db2.gz KUYYCAGRKSVQOT-CQSZACIVSA-N 2 0 279.815 2.699 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000823813194 623399706 /nfs/dbraw/zinc/39/97/06/623399706.db2.gz WRNNJSJLSJUSNG-INIZCTEOSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H](C)O1 ZINC000823966555 623427225 /nfs/dbraw/zinc/42/72/25/623427225.db2.gz UHAATVRSTXDDIN-AKNDPVLGSA-N 2 0 280.456 2.939 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@H](C)O1 ZINC000823966558 623427392 /nfs/dbraw/zinc/42/73/92/623427392.db2.gz UHAATVRSTXDDIN-RNONSGAXSA-N 2 0 280.456 2.939 20 0 CFADRP C[C@H]([NH2+]CCCCCCC[NH3+])c1nc(C(C)(C)C)no1 ZINC000842477567 623475358 /nfs/dbraw/zinc/47/53/58/623475358.db2.gz AAHBQNSEPNHPEZ-LBPRGKRZSA-N 2 0 282.432 2.927 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000929637591 623498789 /nfs/dbraw/zinc/49/87/89/623498789.db2.gz KVQIRCXKWOSGHC-OAHLLOKOSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000929719972 623525536 /nfs/dbraw/zinc/52/55/36/623525536.db2.gz SITHRHBPOYDHRC-XDNAFOTISA-N 2 0 294.483 2.998 20 0 CFADRP CC[NH+](CC)Cc1ccc(C(=O)OCCC[NH+](C)C)cc1 ZINC000915128619 623985556 /nfs/dbraw/zinc/98/55/56/623985556.db2.gz PYJSHQPLQNGEQJ-UHFFFAOYSA-N 2 0 292.423 2.637 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000915689458 624094892 /nfs/dbraw/zinc/09/48/92/624094892.db2.gz NOHUCXDLPHYASA-ZDUSSCGKSA-N 2 0 291.266 2.988 20 0 CFADRP CCCC[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000916836440 624286827 /nfs/dbraw/zinc/28/68/27/624286827.db2.gz GQJPLAOHVGECDU-UHFFFAOYSA-N 2 0 289.467 2.979 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC3CC(F)(F)C3)C2)CC1 ZINC000829443757 624434118 /nfs/dbraw/zinc/43/41/18/624434118.db2.gz DCLCHUGRHPIXQW-UHFFFAOYSA-N 2 0 272.383 2.840 20 0 CFADRP CC[C@@H](O)CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925458932 624516196 /nfs/dbraw/zinc/51/61/96/624516196.db2.gz IQTCNIPYZGFGPQ-MRXNPFEDSA-N 2 0 270.461 2.638 20 0 CFADRP CC[C@H](O)CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925458930 624516273 /nfs/dbraw/zinc/51/62/73/624516273.db2.gz IQTCNIPYZGFGPQ-INIZCTEOSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000830029319 624604655 /nfs/dbraw/zinc/60/46/55/624604655.db2.gz YLNVIPLLXSNUFM-ROUUACIJSA-N 2 0 293.499 2.667 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1OC ZINC000925471281 624606418 /nfs/dbraw/zinc/60/64/18/624606418.db2.gz BOHIPDUEOVXAPD-UONOGXRCSA-N 2 0 292.423 2.699 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925475093 624651150 /nfs/dbraw/zinc/65/11/50/624651150.db2.gz DVHSCBSPCIMNII-SOMFZHDCSA-N 2 0 270.420 2.594 20 0 CFADRP COc1ccc(CCN[C@@H]2CC[NH2+]C23CCCC3)cc1F ZINC000925475410 624655276 /nfs/dbraw/zinc/65/52/76/624655276.db2.gz CPPMSVOMQZMUHW-MRXNPFEDSA-N 2 0 292.398 2.641 20 0 CFADRP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479652 624714085 /nfs/dbraw/zinc/71/40/85/624714085.db2.gz JEHAJQNOAQGSBG-FUHWJXTLSA-N 3 0 289.467 2.788 20 0 CFADRP C[NH+](C)CCC1CCN(Cc2cnc(Cl)s2)CC1 ZINC000175448765 624952879 /nfs/dbraw/zinc/95/28/79/624952879.db2.gz CZUGPVFONGAVJI-UHFFFAOYSA-N 2 0 287.860 2.960 20 0 CFADRP CC1(C)COC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000832164855 625235322 /nfs/dbraw/zinc/23/53/22/625235322.db2.gz CFRDMWVTUOIXAH-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000834846218 625901209 /nfs/dbraw/zinc/90/12/09/625901209.db2.gz PIYASULYISOZGY-UHFFFAOYSA-N 2 0 289.423 2.740 20 0 CFADRP CCc1noc(C)c1[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000769874078 625933233 /nfs/dbraw/zinc/93/32/33/625933233.db2.gz MISBYRFFIAZOSF-LBPRGKRZSA-N 2 0 279.428 2.928 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921511569 625951956 /nfs/dbraw/zinc/95/19/56/625951956.db2.gz DRSGWXXNPAOEAR-UHFFFAOYSA-N 2 0 299.418 2.919 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921517673 625967705 /nfs/dbraw/zinc/96/77/05/625967705.db2.gz DWMFJMPUTNOUDE-JFIYKMOQSA-N 2 0 294.483 2.902 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921559670 625989115 /nfs/dbraw/zinc/98/91/15/625989115.db2.gz XVAVXYQAFHVLIJ-RYRKJORJSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921784738 626121890 /nfs/dbraw/zinc/12/18/90/626121890.db2.gz TXJVDMRMKHDQHH-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+]Cc3ccc4c[nH+]cn4c3)ccc2O1 ZINC000922179731 626231743 /nfs/dbraw/zinc/23/17/43/626231743.db2.gz YSHMADMOAKFCAK-CYBMUJFWSA-N 2 0 293.370 2.948 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000922217291 626243353 /nfs/dbraw/zinc/24/33/53/626243353.db2.gz OQWISWSRLAIBMN-IXDOHACOSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1Cc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)ccc2O1 ZINC000922284165 626259915 /nfs/dbraw/zinc/25/99/15/626259915.db2.gz NUHZFPSWEPXQKV-HOCLYGCPSA-N 2 0 288.435 2.832 20 0 CFADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC1CCCCC1)C2 ZINC000922388100 626282420 /nfs/dbraw/zinc/28/24/20/626282420.db2.gz OIGBOHRVJSQGHN-BDXSIMOUSA-N 2 0 294.483 2.636 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000922501838 626299045 /nfs/dbraw/zinc/29/90/45/626299045.db2.gz BXSYGCRGTNSKJS-UHFFFAOYSA-N 2 0 289.423 2.674 20 0 CFADRP CC(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821439 626304192 /nfs/dbraw/zinc/30/41/92/626304192.db2.gz UQXBLXMLPXNMIM-UHFFFAOYSA-N 2 0 289.423 2.599 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCC3)CC1(C)C ZINC000922714506 626349347 /nfs/dbraw/zinc/34/93/47/626349347.db2.gz BDGBVMXYRPJUNZ-LBPRGKRZSA-N 2 0 293.480 2.637 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1(C)C ZINC000922813352 626368934 /nfs/dbraw/zinc/36/89/34/626368934.db2.gz QJYFSVNWQPCHFE-CABCVRRESA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC000922840500 626377799 /nfs/dbraw/zinc/37/77/99/626377799.db2.gz ZSEJOCYQCPPJDY-UPJWGTAASA-N 2 0 256.459 2.733 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922846493 626379757 /nfs/dbraw/zinc/37/97/57/626379757.db2.gz LIPYVAMDWCAQGQ-ISXOHVOVSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)n1ccnc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847165 626379910 /nfs/dbraw/zinc/37/99/10/626379910.db2.gz WKQVCSQDHSQKEX-UHFFFAOYSA-N 2 0 290.455 2.961 20 0 CFADRP CCCCCC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186590382 626380776 /nfs/dbraw/zinc/38/07/76/626380776.db2.gz WGNMJCJUOVTNEA-IRXDYDNUSA-N 2 0 283.504 2.961 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000922952676 626429869 /nfs/dbraw/zinc/42/98/69/626429869.db2.gz HBYWXKFCIBNBAU-CGTJXYLNSA-N 2 0 292.467 2.822 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923297664 626463957 /nfs/dbraw/zinc/46/39/57/626463957.db2.gz JAIKPXIZUGLTSS-KRWDZBQOSA-N 2 0 288.435 2.586 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923298103 626464051 /nfs/dbraw/zinc/46/40/51/626464051.db2.gz LXGRIEKFWBNVBN-DOTOQJQBSA-N 2 0 288.435 2.666 20 0 CFADRP C[N@H+](CCC[NH2+]C1CC1)CCCOc1ccccc1 ZINC000923307780 626464479 /nfs/dbraw/zinc/46/44/79/626464479.db2.gz VBPZTQDNKBMGDT-UHFFFAOYSA-N 2 0 262.397 2.529 20 0 CFADRP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000923316010 626465156 /nfs/dbraw/zinc/46/51/56/626465156.db2.gz CGVOESWUZMOESD-MRXNPFEDSA-N 2 0 292.467 2.801 20 0 CFADRP COc1ccc(CCC[N@H+](C)CCC[NH2+]C2CC2)cc1 ZINC000923308689 626465493 /nfs/dbraw/zinc/46/54/93/626465493.db2.gz DYKNYLKTNQFWNQ-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP C([C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCCC1 ZINC000923309840 626465798 /nfs/dbraw/zinc/46/57/98/626465798.db2.gz VSBCBVHGZLXUQC-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325697 626466650 /nfs/dbraw/zinc/46/66/50/626466650.db2.gz GBTIGDKBWSKICT-KCBNDJSGSA-N 3 0 293.499 2.571 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923365727 626468740 /nfs/dbraw/zinc/46/87/40/626468740.db2.gz XQYKSGHDGJKRCR-HNNXBMFYSA-N 2 0 277.412 2.509 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1c(F)cccc1Cl ZINC000923378380 626469268 /nfs/dbraw/zinc/46/92/68/626469268.db2.gz KGKOIZOQRNSWLM-QWRGUYRKSA-N 2 0 298.789 2.508 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000923382964 626469743 /nfs/dbraw/zinc/46/97/43/626469743.db2.gz FPZANJQHXGNLCH-HOTGVXAUSA-N 2 0 282.472 2.782 20 0 CFADRP C(C[N@@H+]1CCC[C@H](OC2CCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923390718 626470086 /nfs/dbraw/zinc/47/00/86/626470086.db2.gz VJRUYFWNURTJNU-MMNRESRNSA-N 2 0 292.467 2.941 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384989 626470124 /nfs/dbraw/zinc/47/01/24/626470124.db2.gz RPZDAMAWGXEYJV-BZUAXINKSA-N 2 0 292.467 2.513 20 0 CFADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000923396248 626470599 /nfs/dbraw/zinc/47/05/99/626470599.db2.gz XAMDBYWEQVNSAK-SJORKVTESA-N 2 0 292.467 2.657 20 0 CFADRP c1ccc2c(c1)CC[C@]21CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923422011 626471508 /nfs/dbraw/zinc/47/15/08/626471508.db2.gz UIHWMTXETBJOJT-GOSISDBHSA-N 2 0 270.420 2.718 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448473 626473373 /nfs/dbraw/zinc/47/33/73/626473373.db2.gz COXJZINRWPMSIQ-INIZCTEOSA-N 2 0 288.435 2.633 20 0 CFADRP CCc1ccccc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450069 626473920 /nfs/dbraw/zinc/47/39/20/626473920.db2.gz DMEPMLLZHJLRGT-QGZVFWFLSA-N 2 0 288.435 2.579 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(C)c1 ZINC000923449898 626473962 /nfs/dbraw/zinc/47/39/62/626473962.db2.gz CWJCDFDAWKICBR-QGZVFWFLSA-N 2 0 288.435 2.633 20 0 CFADRP CCc1cccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923453550 626474133 /nfs/dbraw/zinc/47/41/33/626474133.db2.gz YBBFALZBABDOJR-KRWDZBQOSA-N 2 0 288.435 2.579 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495300 626476190 /nfs/dbraw/zinc/47/61/90/626476190.db2.gz AIDWRUXYMZQXBA-FRRDWIJNSA-N 2 0 250.361 2.803 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000923484642 626476322 /nfs/dbraw/zinc/47/63/22/626476322.db2.gz ABVWNQJGOPEEPK-HNNXBMFYSA-N 2 0 262.397 2.516 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923481600 626476386 /nfs/dbraw/zinc/47/63/86/626476386.db2.gz SHFDZPNUDDVQRH-AWEZNQCLSA-N 2 0 276.424 2.989 20 0 CFADRP C[C@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923489812 626476414 /nfs/dbraw/zinc/47/64/14/626476414.db2.gz LJMWFSMNTZXNDA-NWDGAFQWSA-N 2 0 275.421 2.713 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496466 626476426 /nfs/dbraw/zinc/47/64/26/626476426.db2.gz ACJRAXCYPIJDPD-JKSUJKDBSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@H]1C[NH3+] ZINC000923496256 626476470 /nfs/dbraw/zinc/47/64/70/626476470.db2.gz GXVFWAFTSKXFDR-MNOVXSKESA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1C[NH3+] ZINC000923491518 626476655 /nfs/dbraw/zinc/47/66/55/626476655.db2.gz IGOILWUJSGBYSS-LCGIIJARSA-N 2 0 294.389 2.952 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1C[NH3+] ZINC000923491402 626476676 /nfs/dbraw/zinc/47/66/76/626476676.db2.gz RIJMABGXBPGOMU-DYVFJYSZSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)CC[C@@H]1C[NH3+] ZINC000923491098 626476818 /nfs/dbraw/zinc/47/68/18/626476818.db2.gz QUHMUHVRWZHCBQ-CHWSQXEVSA-N 2 0 291.439 2.606 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923502597 626476844 /nfs/dbraw/zinc/47/68/44/626476844.db2.gz CJIQBKXXLOEIIH-HOTGVXAUSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923502944 626476898 /nfs/dbraw/zinc/47/68/98/626476898.db2.gz FGAOITXENJZWHK-YPMHNXCESA-N 2 0 252.789 2.757 20 0 CFADRP C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@H]1C[NH3+] ZINC000923494487 626476917 /nfs/dbraw/zinc/47/69/17/626476917.db2.gz XXRKBSZVQBYSQD-HIFRSBDPSA-N 2 0 250.430 2.874 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923502599 626476937 /nfs/dbraw/zinc/47/69/37/626476937.db2.gz CJIQBKXXLOEIIH-JKSUJKDBSA-N 2 0 276.424 2.599 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502759 626476993 /nfs/dbraw/zinc/47/69/93/626476993.db2.gz ZJFPVTUZSTURNT-STQMWFEESA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923502942 626477001 /nfs/dbraw/zinc/47/70/01/626477001.db2.gz FGAOITXENJZWHK-DGCLKSJQSA-N 2 0 252.789 2.757 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923496860 626477054 /nfs/dbraw/zinc/47/70/54/626477054.db2.gz JXRILILNQNZKFW-UONOGXRCSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@H]1C[NH3+] ZINC000923500611 626477299 /nfs/dbraw/zinc/47/72/99/626477299.db2.gz WEFUNNKATDWWIJ-QWRGUYRKSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@H]1C[NH3+] ZINC000923499281 626477333 /nfs/dbraw/zinc/47/73/33/626477333.db2.gz MJLNYUSXFUIRMR-AEFFLSMTSA-N 2 0 290.451 2.553 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923500673 626477398 /nfs/dbraw/zinc/47/73/98/626477398.db2.gz WRWWKNMCKAOTBI-VHSXEESVSA-N 2 0 258.818 2.818 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC000923500784 626477427 /nfs/dbraw/zinc/47/74/27/626477427.db2.gz PBXZMGCVBIOYOW-VXGBXAGGSA-N 2 0 282.815 2.765 20 0 CFADRP CCCc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923499809 626477455 /nfs/dbraw/zinc/47/74/55/626477455.db2.gz UGRZHRWNHCIQLN-RYUDHWBXSA-N 2 0 267.442 2.512 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499384 626477461 /nfs/dbraw/zinc/47/74/61/626477461.db2.gz SFBKHXHCSILFNP-YRGRVCCFSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@@H]1C[NH3+] ZINC000923499855 626477466 /nfs/dbraw/zinc/47/74/66/626477466.db2.gz UUWHMBJBHNDLJI-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923501374 626477573 /nfs/dbraw/zinc/47/75/73/626477573.db2.gz RIISQPZMEHGTOZ-WDEREUQCSA-N 2 0 270.779 2.896 20 0 CFADRP CCSCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504479 626477653 /nfs/dbraw/zinc/47/76/53/626477653.db2.gz YQWAHQVLCICCIV-CQSZACIVSA-N 2 0 270.486 2.841 20 0 CFADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505414 626477768 /nfs/dbraw/zinc/47/77/68/626477768.db2.gz CGLNSTYZRQVVPF-UXLLHSPISA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@@H]1C[NH3+] ZINC000923505490 626477787 /nfs/dbraw/zinc/47/77/87/626477787.db2.gz AANNHJQUOVISOO-WCQYABFASA-N 2 0 252.789 2.757 20 0 CFADRP CCOCCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506767 626477888 /nfs/dbraw/zinc/47/78/88/626477888.db2.gz ZASYQTXBDHKURH-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP CCO[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC000923508844 626478050 /nfs/dbraw/zinc/47/80/50/626478050.db2.gz WZVWOXOFIYQUMV-YJBOKZPZSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923510464 626478090 /nfs/dbraw/zinc/47/80/90/626478090.db2.gz UPKUFPQZUFVKKB-WCQYABFASA-N 2 0 297.240 2.866 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522318 626478652 /nfs/dbraw/zinc/47/86/52/626478652.db2.gz SEYDKNJZNBHTNJ-DOTOQJQBSA-N 2 0 288.435 2.860 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522350 626478668 /nfs/dbraw/zinc/47/86/68/626478668.db2.gz UKYHIXNHAGNMOM-OZVIIMIRSA-N 2 0 276.811 2.869 20 0 CFADRP [NH3+]CCCCCCN1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000923542983 626479330 /nfs/dbraw/zinc/47/93/30/626479330.db2.gz KDLPPHOWGKUQFX-OAHLLOKOSA-N 2 0 275.440 2.533 20 0 CFADRP CCOC(=O)CC(C)(C)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000838845030 626510001 /nfs/dbraw/zinc/51/00/01/626510001.db2.gz GQAFJYHSBGUBQJ-GJZGRUSLSA-N 2 0 298.471 2.770 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)C2CC2)CC1)CC1CC1 ZINC000838910195 626513460 /nfs/dbraw/zinc/51/34/60/626513460.db2.gz PQTHXAZGKNMZNP-SFHVURJKSA-N 2 0 294.483 2.591 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000838895316 626514647 /nfs/dbraw/zinc/51/46/47/626514647.db2.gz PJRBQYPDEFTHTP-HNNXBMFYSA-N 2 0 298.471 2.820 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000765261258 627127094 /nfs/dbraw/zinc/12/70/94/627127094.db2.gz IMJVZLBKNYRUQU-INIZCTEOSA-N 2 0 296.842 2.836 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)C1CC[NH+](C)CC1 ZINC000765307156 627130224 /nfs/dbraw/zinc/13/02/24/627130224.db2.gz WXQGOIHZAFCYEP-KGLIPLIRSA-N 2 0 276.424 2.560 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3C2)[C@@H](C)C1 ZINC000765334603 627131160 /nfs/dbraw/zinc/13/11/60/627131160.db2.gz PQZFSSIRZOMEBT-UXLLHSPISA-N 2 0 288.435 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COc3ccccc3C2)[C@H](C)C1 ZINC000765334605 627131384 /nfs/dbraw/zinc/13/13/84/627131384.db2.gz PQZFSSIRZOMEBT-VYDXJSESSA-N 2 0 288.435 2.558 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC3(Cl)Cl)CC[C@H]21 ZINC000766124544 627178062 /nfs/dbraw/zinc/17/80/62/627178062.db2.gz YCALDTRCJVDRIN-GRYCIOLGSA-N 2 0 277.239 2.596 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2cccs2)CC1 ZINC000766115680 627179346 /nfs/dbraw/zinc/17/93/46/627179346.db2.gz JDSZTDCYZQLXHE-INIZCTEOSA-N 2 0 296.480 2.808 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000766514413 627206629 /nfs/dbraw/zinc/20/66/29/627206629.db2.gz VQPGXWQXCNKBDX-NUWOQIAWSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1noc(C)c1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768780215 627371743 /nfs/dbraw/zinc/37/17/43/627371743.db2.gz OYMPHRMPTCVOCL-UHFFFAOYSA-N 2 0 287.407 2.985 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000769033764 627397452 /nfs/dbraw/zinc/39/74/52/627397452.db2.gz NMLGLDNFTQWDQA-QGZVFWFLSA-N 2 0 276.424 2.749 20 0 CFADRP CSCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769452260 627441060 /nfs/dbraw/zinc/44/10/60/627441060.db2.gz UNSUNKOOVZBPLS-UHFFFAOYSA-N 2 0 252.427 2.543 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC3)[C@H](C)C1 ZINC000769485913 627446985 /nfs/dbraw/zinc/44/69/85/627446985.db2.gz PWLIYYCGGXRZOL-KDOFPFPSSA-N 2 0 288.435 2.879 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@@H]21 ZINC000770349217 627514538 /nfs/dbraw/zinc/51/45/38/627514538.db2.gz CGAVCNHWNCYIFI-QAPCUYQASA-N 2 0 286.419 2.633 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)CC[C@H]21 ZINC000770349215 627515125 /nfs/dbraw/zinc/51/51/25/627515125.db2.gz CGAVCNHWNCYIFI-MAUKXSAKSA-N 2 0 286.419 2.633 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000774835432 627969525 /nfs/dbraw/zinc/96/95/25/627969525.db2.gz MAORLANYYDEMMU-MRXNPFEDSA-N 2 0 266.429 2.733 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777557682 628236233 /nfs/dbraw/zinc/23/62/33/628236233.db2.gz MRZKRPQVPRFABS-UHFFFAOYSA-N 2 0 264.388 2.930 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000779342903 628375325 /nfs/dbraw/zinc/37/53/25/628375325.db2.gz VMSCTECFAZBRSM-HZPDHXFCSA-N 2 0 290.451 2.922 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC[C@H]1CC1(Cl)Cl)C2 ZINC000852106568 634658759 /nfs/dbraw/zinc/65/87/59/634658759.db2.gz BMCVZVBCMRVFCL-QWHCGFSZSA-N 2 0 291.266 2.988 20 0 CFADRP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782182994 628611009 /nfs/dbraw/zinc/61/10/09/628611009.db2.gz HRCDDAWLTOQEHP-HOTGVXAUSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788498696 629075358 /nfs/dbraw/zinc/07/53/58/629075358.db2.gz OVABDBFOFXUSHX-ZIAGYGMSSA-N 2 0 279.428 2.948 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788508117 629076223 /nfs/dbraw/zinc/07/62/23/629076223.db2.gz UHGYAIOPVZHRCB-HNNXBMFYSA-N 2 0 299.418 2.960 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000788570214 629082424 /nfs/dbraw/zinc/08/24/24/629082424.db2.gz IJYODMSJCXKTRP-AWEZNQCLSA-N 2 0 282.815 2.843 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)n(C)n1 ZINC000793524217 629561179 /nfs/dbraw/zinc/56/11/79/629561179.db2.gz KUEWGNBSDQDAKE-INIZCTEOSA-N 2 0 292.471 2.891 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@@H](O)c2ccccc2)C[C@@H]1C ZINC000795926276 629851507 /nfs/dbraw/zinc/85/15/07/629851507.db2.gz FFMRSCQNNLFFBC-CGTJXYLNSA-N 2 0 290.451 2.915 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000796731131 629957225 /nfs/dbraw/zinc/95/72/25/629957225.db2.gz VADOOZXFKOCZGK-JENIJYKNSA-N 2 0 299.462 2.512 20 0 CFADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000797063153 630012279 /nfs/dbraw/zinc/01/22/79/630012279.db2.gz RNNVSJYHOMYVAQ-CRAIPNDOSA-N 2 0 290.451 2.879 20 0 CFADRP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000798957308 630263864 /nfs/dbraw/zinc/26/38/64/630263864.db2.gz SDWUDFGZBIBHKQ-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000800992622 630421015 /nfs/dbraw/zinc/42/10/15/630421015.db2.gz JCPCLHDRZNPVDP-QAPCUYQASA-N 2 0 290.451 2.657 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)n1 ZINC000852748769 634823695 /nfs/dbraw/zinc/82/36/95/634823695.db2.gz CXUXRIWYUUQXRB-CQSZACIVSA-N 2 0 293.842 2.865 20 0 CFADRP [NH3+]CCCCCCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000852755875 634826078 /nfs/dbraw/zinc/82/60/78/634826078.db2.gz JNUWCKFKOAQNGD-INIZCTEOSA-N 2 0 275.440 2.676 20 0 CFADRP CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000852760048 634826959 /nfs/dbraw/zinc/82/69/59/634826959.db2.gz USFQWVOIWOEFCS-RBSFLKMASA-N 2 0 284.444 2.558 20 0 CFADRP C[NH+]1CCCC[C@@H]1CCC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000803858874 630649698 /nfs/dbraw/zinc/64/96/98/630649698.db2.gz TZPCKAMHUFPTAG-HZPDHXFCSA-N 2 0 296.455 2.669 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000843126032 630801565 /nfs/dbraw/zinc/80/15/65/630801565.db2.gz ABOGXHHAAHPODZ-UHFFFAOYSA-N 2 0 282.815 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@H](O)c2ccccc2)C[C@@H]1C ZINC000808732390 631037952 /nfs/dbraw/zinc/03/79/52/631037952.db2.gz FFMRSCQNNLFFBC-JQHSSLGASA-N 2 0 290.451 2.915 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H](O)c2ccccc2)CC1 ZINC000809747023 631278567 /nfs/dbraw/zinc/27/85/67/631278567.db2.gz GTMKUJKWIDNYSH-KRWDZBQOSA-N 2 0 290.451 2.963 20 0 CFADRP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ncc(CN(C)C)s1 ZINC000809768237 631285088 /nfs/dbraw/zinc/28/50/88/631285088.db2.gz FSOMLWKUCOYBFK-NEPJUHHUSA-N 2 0 267.442 2.968 20 0 CFADRP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)o1 ZINC000809767949 631285241 /nfs/dbraw/zinc/28/52/41/631285241.db2.gz YUIXLCQGWYYQRE-HOCLYGCPSA-N 2 0 262.397 2.813 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841004771 631302597 /nfs/dbraw/zinc/30/25/97/631302597.db2.gz QDPGHPCGYSTDRO-NWDGAFQWSA-N 2 0 267.804 2.555 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033294 631313868 /nfs/dbraw/zinc/31/38/68/631313868.db2.gz MRBIQFNWPGLKGJ-CRAIPNDOSA-N 2 0 289.467 2.588 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CCCCC1 ZINC000841040422 631318542 /nfs/dbraw/zinc/31/85/42/631318542.db2.gz QQAXAQLLGNCGMF-AGIUHOORSA-N 2 0 286.510 2.617 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(OCC[NH3+])cc1 ZINC000841054802 631323000 /nfs/dbraw/zinc/32/30/00/631323000.db2.gz NBBNVVGVIHWUQG-GOEBONIOSA-N 2 0 291.439 2.747 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1COC2 ZINC000841086532 631336206 /nfs/dbraw/zinc/33/62/06/631336206.db2.gz KKNLPVSNVNEROM-MAUKXSAKSA-N 2 0 286.419 2.681 20 0 CFADRP CSC1(C[NH2+]Cc2cc(C)oc2C)CC[NH+](C)CC1 ZINC000810170584 631338039 /nfs/dbraw/zinc/33/80/39/631338039.db2.gz PWYAKYHBKTWTDD-UHFFFAOYSA-N 2 0 282.453 2.813 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]CCC[NH2+]C3CC3)ccc2O1 ZINC000841093812 631338319 /nfs/dbraw/zinc/33/83/19/631338319.db2.gz UOFBAGXWEMUZCD-UHFFFAOYSA-N 2 0 274.408 2.632 20 0 CFADRP CCn1cncc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000841868564 631484699 /nfs/dbraw/zinc/48/46/99/631484699.db2.gz QLRSXUWQWYJEPY-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP C[C@H](C(=O)OCC[C@@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000840235392 631586277 /nfs/dbraw/zinc/58/62/77/631586277.db2.gz JYLMMEIPQGYMAP-QXSJWSMHSA-N 2 0 296.455 2.665 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])CC(=O)Nc1cccc(F)c1 ZINC000842471669 631639046 /nfs/dbraw/zinc/63/90/46/631639046.db2.gz QHTJWLGXGGZJOG-UHFFFAOYSA-N 2 0 295.402 2.605 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccn(-c2ccccc2)n1 ZINC000842472538 631639325 /nfs/dbraw/zinc/63/93/25/631639325.db2.gz YRTRBCMYJGDGQS-INIZCTEOSA-N 2 0 298.434 2.694 20 0 CFADRP CC(C)CO[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000842473124 631639489 /nfs/dbraw/zinc/63/94/89/631639489.db2.gz PWNFTGJMHCDJIU-OAHLLOKOSA-N 2 0 256.434 2.643 20 0 CFADRP [NH3+]CCCCCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000842478669 631641449 /nfs/dbraw/zinc/64/14/49/631641449.db2.gz MANOXCDWKZCMST-HNNXBMFYSA-N 2 0 268.445 2.835 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCc3cccs3)CC2)C1 ZINC000842478824 631641585 /nfs/dbraw/zinc/64/15/85/631641585.db2.gz LAVLULCTWRBVMZ-GOEBONIOSA-N 2 0 294.464 2.509 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCc3cccs3)CC2)C1 ZINC000842478826 631642260 /nfs/dbraw/zinc/64/22/60/631642260.db2.gz LAVLULCTWRBVMZ-ZBFHGGJFSA-N 2 0 294.464 2.509 20 0 CFADRP CCC[NH+](CCC)CCCc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842670415 631699789 /nfs/dbraw/zinc/69/97/89/631699789.db2.gz UPYARMZCEJOVFV-AWEZNQCLSA-N 2 0 294.443 2.591 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000843044366 631811603 /nfs/dbraw/zinc/81/16/03/631811603.db2.gz GZZQTJQANFHMBC-QBPKDAKJSA-N 2 0 280.456 2.656 20 0 CFADRP Cn1cc(C[NH2+]C2CCC([NH3+])CC2)c(-c2cccs2)n1 ZINC000843104547 631836569 /nfs/dbraw/zinc/83/65/69/631836569.db2.gz LOAHSVWPYMQGAD-UHFFFAOYSA-N 2 0 290.436 2.508 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1O ZINC000843105172 631836871 /nfs/dbraw/zinc/83/68/71/631836871.db2.gz RHMVGTVDZOLEFB-GRTSSRMGSA-N 2 0 292.423 2.581 20 0 CFADRP c1cc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2cn1 ZINC000843118707 631840473 /nfs/dbraw/zinc/84/04/73/631840473.db2.gz NDXLGDKUXKMXBJ-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cnc1Cl ZINC000843125942 631844990 /nfs/dbraw/zinc/84/49/90/631844990.db2.gz DBSKSWRXLZBTOW-UHFFFAOYSA-N 2 0 279.815 2.619 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cnc1Cl ZINC000843125628 631845338 /nfs/dbraw/zinc/84/53/38/631845338.db2.gz ZKAIZBNPQLEFCF-CABCVRRESA-N 2 0 293.842 2.865 20 0 CFADRP Cc1ncc(C[NH2+]CCCCCC[NH3+])n1-c1ccccc1 ZINC000843127333 631846283 /nfs/dbraw/zinc/84/62/83/631846283.db2.gz OATJGOIZUSOIPZ-UHFFFAOYSA-N 2 0 286.423 2.789 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000843127313 631846933 /nfs/dbraw/zinc/84/69/33/631846933.db2.gz FBTBHCCGENKHAH-UHFFFAOYSA-N 2 0 284.407 2.752 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000843127695 631847086 /nfs/dbraw/zinc/84/70/86/631847086.db2.gz GRBYFSCVXVKOCO-UHFFFAOYSA-N 2 0 298.814 2.720 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000843128591 631847921 /nfs/dbraw/zinc/84/79/21/631847921.db2.gz YAKVXFFXHAMNIZ-CYBMUJFWSA-N 2 0 283.441 2.603 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCCCC[NH3+] ZINC000843127892 631848096 /nfs/dbraw/zinc/84/80/96/631848096.db2.gz RPTRZOMKXLZUJZ-SJLPKXTDSA-N 2 0 289.467 2.616 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])oc21 ZINC000843128708 631848258 /nfs/dbraw/zinc/84/82/58/631848258.db2.gz KVTFMUAPALRRMT-QWRGUYRKSA-N 2 0 262.353 2.657 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843128927 631849039 /nfs/dbraw/zinc/84/90/39/631849039.db2.gz ZNXYCBBECXCZNM-VSZNYVQBSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843340648 631931130 /nfs/dbraw/zinc/93/11/30/631931130.db2.gz CZMDZLLPNSNCEJ-KBPBESRZSA-N 2 0 256.434 2.687 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CCCCCC[NH3+])cn1 ZINC000843340957 631931228 /nfs/dbraw/zinc/93/12/28/631931228.db2.gz AYASWMBKMBYBTH-ZDUSSCGKSA-N 2 0 252.406 2.634 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843340995 631931300 /nfs/dbraw/zinc/93/13/00/631931300.db2.gz BHDVDTUZWMYXFG-CYBMUJFWSA-N 2 0 280.412 2.874 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000843340191 631931332 /nfs/dbraw/zinc/93/13/32/631931332.db2.gz OCPFUCMVJVVXDZ-RWMBFGLXSA-N 2 0 279.815 2.521 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000843341449 631931562 /nfs/dbraw/zinc/93/15/62/631931562.db2.gz DYRGIXBTLDPXBU-OAHLLOKOSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccccc1N(C)C ZINC000843342136 631932130 /nfs/dbraw/zinc/93/21/30/631932130.db2.gz NNQUGTPQLYLAHP-CQSZACIVSA-N 2 0 263.429 2.922 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000843343216 631932740 /nfs/dbraw/zinc/93/27/40/631932740.db2.gz XFZSBAOMGJCVMX-AWEZNQCLSA-N 2 0 291.439 2.558 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000843359357 631937545 /nfs/dbraw/zinc/93/75/45/631937545.db2.gz QFBYZJXBKAKEFP-ROUUACIJSA-N 2 0 290.451 2.964 20 0 CFADRP CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843377629 631941010 /nfs/dbraw/zinc/94/10/10/631941010.db2.gz GCYHTVPXQOKHRL-HOTGVXAUSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843387915 631943580 /nfs/dbraw/zinc/94/35/80/631943580.db2.gz YGDMWAPELKYBMQ-IRXDYDNUSA-N 3 0 281.488 2.607 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000843389071 631943717 /nfs/dbraw/zinc/94/37/17/631943717.db2.gz PILYNQYKHMVFOA-MRXNPFEDSA-N 2 0 273.424 2.651 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000843391977 631943969 /nfs/dbraw/zinc/94/39/69/631943969.db2.gz DYZDPBJGKTUMEF-INIZCTEOSA-N 2 0 261.413 2.780 20 0 CFADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)CCCCCC[NH3+] ZINC000843486402 631966187 /nfs/dbraw/zinc/96/61/87/631966187.db2.gz HMBHZOLEAGKGTJ-UHFFFAOYSA-N 2 0 297.487 2.619 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000844221299 632136727 /nfs/dbraw/zinc/13/67/27/632136727.db2.gz MKSVKFJAHQPUDK-QGZVFWFLSA-N 3 0 281.488 2.846 20 0 CFADRP CN(CC(F)F)C1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000844221680 632137209 /nfs/dbraw/zinc/13/72/09/632137209.db2.gz SABZMUZJWGILDE-UHFFFAOYSA-N 2 0 291.430 2.557 20 0 CFADRP [NH3+]CCCCCCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000844221634 632137629 /nfs/dbraw/zinc/13/76/29/632137629.db2.gz ISXKIGBXDJPNES-UHFFFAOYSA-N 2 0 281.488 2.846 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000844225097 632137677 /nfs/dbraw/zinc/13/76/77/632137677.db2.gz YIOZZDPPPONYMC-CYBMUJFWSA-N 2 0 277.412 2.762 20 0 CFADRP Cc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000815145342 632216054 /nfs/dbraw/zinc/21/60/54/632216054.db2.gz ZFXYUHXGDYUWFT-GOSISDBHSA-N 2 0 288.435 2.792 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000815144864 632216198 /nfs/dbraw/zinc/21/61/98/632216198.db2.gz KYVVVAWKJSVLEI-IRXDYDNUSA-N 2 0 282.472 2.735 20 0 CFADRP Cc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000815145343 632216581 /nfs/dbraw/zinc/21/65/81/632216581.db2.gz ZFXYUHXGDYUWFT-SFHVURJKSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000815647254 632304517 /nfs/dbraw/zinc/30/45/17/632304517.db2.gz DJNGDGLCOVNBKU-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000844904799 632331761 /nfs/dbraw/zinc/33/17/61/632331761.db2.gz QZDXOMJQUSCMAK-ZFWWWQNUSA-N 2 0 280.387 2.579 20 0 CFADRP CCc1nn(C)c(Cl)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817416103 632626628 /nfs/dbraw/zinc/62/66/28/632626628.db2.gz ITQDUDBZSIVALI-UHFFFAOYSA-N 2 0 298.862 2.598 20 0 CFADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217884 632664769 /nfs/dbraw/zinc/66/47/69/632664769.db2.gz IARYRCLYMYUSBG-HOTGVXAUSA-N 2 0 297.487 2.522 20 0 CFADRP CCc1ccc([C@@H]2C[NH2+]CCN2CCCCCC[NH3+])cc1 ZINC000846220788 632667115 /nfs/dbraw/zinc/66/71/15/632667115.db2.gz QFOVSQKDPXROJB-SFHVURJKSA-N 2 0 289.467 2.714 20 0 CFADRP CCCCCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846222901 632667641 /nfs/dbraw/zinc/66/76/41/632667641.db2.gz MKWSLZORYXECHM-HRCADAONSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1nc(C(C)(C)C)no1 ZINC000846223166 632668219 /nfs/dbraw/zinc/66/82/19/632668219.db2.gz IDCSTBZEMPCEAS-LLVKDONJSA-N 2 0 268.405 2.537 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000846223134 632668323 /nfs/dbraw/zinc/66/83/23/632668323.db2.gz HAPCNORVQFDBLT-DLBZAZTESA-N 2 0 276.424 2.873 20 0 CFADRP CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846227096 632668330 /nfs/dbraw/zinc/66/83/30/632668330.db2.gz GNTUHYUYYNPIDD-BZUAXINKSA-N 2 0 268.445 2.928 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000846226548 632668478 /nfs/dbraw/zinc/66/84/78/632668478.db2.gz OYHBKENZOMCINE-CJNGLKHVSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1nc(C(C)(C)C)no1 ZINC000846223167 632668527 /nfs/dbraw/zinc/66/85/27/632668527.db2.gz IDCSTBZEMPCEAS-NSHDSACASA-N 2 0 268.405 2.537 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000817888681 632717324 /nfs/dbraw/zinc/71/73/24/632717324.db2.gz INPMBMGBWYUJDM-CVEARBPZSA-N 2 0 289.467 2.935 20 0 CFADRP C[C@H]([NH2+]C(C1CCCC1)C1CCCC1)C1C[NH2+]C1 ZINC000817892568 632717924 /nfs/dbraw/zinc/71/79/24/632717924.db2.gz BAEPTMSGSNGVDP-LBPRGKRZSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817890681 632718286 /nfs/dbraw/zinc/71/82/86/632718286.db2.gz XBRLDRXEJRRRDW-ATZDWAIDSA-N 2 0 298.430 2.577 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000817889143 632718538 /nfs/dbraw/zinc/71/85/38/632718538.db2.gz MRXDEPBQBQYLBL-XYPHTWIQSA-N 2 0 294.414 2.760 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817889565 632718684 /nfs/dbraw/zinc/71/86/84/632718684.db2.gz PMMMNOPEFPITHN-BRSBDYLESA-N 2 0 288.435 2.539 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817889910 632718808 /nfs/dbraw/zinc/71/88/08/632718808.db2.gz QHMOFJQXNRGINW-SCLBCKFNSA-N 2 0 299.418 2.541 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817889909 632718838 /nfs/dbraw/zinc/71/88/38/632718838.db2.gz QHMOFJQXNRGINW-FZKQIMNGSA-N 2 0 299.418 2.541 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893274 632719272 /nfs/dbraw/zinc/71/92/72/632719272.db2.gz DGSITUWEORLUIZ-HEHGZKQESA-N 2 0 278.440 2.733 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000817893685 632719443 /nfs/dbraw/zinc/71/94/43/632719443.db2.gz UHDZTMPYBTVNHV-UGSOOPFHSA-N 2 0 299.418 2.541 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817895448 632720668 /nfs/dbraw/zinc/72/06/68/632720668.db2.gz VANOARCEEHPHMS-VIBAHUMZSA-N 2 0 288.435 2.750 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817895451 632720719 /nfs/dbraw/zinc/72/07/19/632720719.db2.gz VANOARCEEHPHMS-XDKFSHSGSA-N 2 0 288.435 2.750 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817898294 632721987 /nfs/dbraw/zinc/72/19/87/632721987.db2.gz DYJIMSKDHYAOOV-JSGCOSHPSA-N 2 0 266.454 2.676 20 0 CFADRP [NH3+]C1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000817897137 632722001 /nfs/dbraw/zinc/72/20/01/632722001.db2.gz GEQKRRSJPDVQTA-UHFFFAOYSA-N 3 0 293.499 2.891 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817898126 632722232 /nfs/dbraw/zinc/72/22/32/632722232.db2.gz DCDUELAPTHFVAQ-ZFWWWQNUSA-N 2 0 280.387 2.702 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000817900294 632723979 /nfs/dbraw/zinc/72/39/79/632723979.db2.gz OCXSRSIFJFUMPQ-ILXRZTDVSA-N 2 0 282.815 2.623 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000817902412 632724907 /nfs/dbraw/zinc/72/49/07/632724907.db2.gz QFBCTXKHMOGTEC-CHWSQXEVSA-N 2 0 267.804 2.527 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000817902593 632725778 /nfs/dbraw/zinc/72/57/78/632725778.db2.gz VAILUNRGBIOHEO-GDBMZVCRSA-N 2 0 275.440 2.750 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)c2ccccc21 ZINC000817901470 632725965 /nfs/dbraw/zinc/72/59/65/632725965.db2.gz VXJZFPLZSAPFAH-IKGGRYGDSA-N 2 0 286.350 2.594 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000817902679 632726902 /nfs/dbraw/zinc/72/69/02/632726902.db2.gz WROLGWOWHYTXCO-ZNMIVQPWSA-N 2 0 293.842 2.788 20 0 CFADRP C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000817913030 632730920 /nfs/dbraw/zinc/73/09/20/632730920.db2.gz MQQHZYDCLPNSAV-LVQVYYBASA-N 2 0 294.439 2.992 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000817914755 632731944 /nfs/dbraw/zinc/73/19/44/632731944.db2.gz YUWFFIJQRVOFGC-FMKPAKJESA-N 2 0 288.416 2.690 20 0 CFADRP Cc1ncc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000817916443 632732322 /nfs/dbraw/zinc/73/23/22/632732322.db2.gz ZPDKFVYOFSRWFW-CABCVRRESA-N 2 0 273.405 2.728 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)nc1 ZINC000817923669 632736838 /nfs/dbraw/zinc/73/68/38/632736838.db2.gz LGSQEVGACQUILE-OIKLOGQESA-N 2 0 253.777 2.656 20 0 CFADRP CCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)c1ccccc1 ZINC000817927663 632738761 /nfs/dbraw/zinc/73/87/61/632738761.db2.gz OWWGCSSCFCBBEK-KXIUCKCTSA-N 2 0 290.451 2.996 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000817932609 632740807 /nfs/dbraw/zinc/74/08/07/632740807.db2.gz VOKAIUTXZGJUSQ-XAYKYTGQSA-N 2 0 299.418 2.621 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817938611 632743079 /nfs/dbraw/zinc/74/30/79/632743079.db2.gz OJAJANICGDBSMW-ZETCQYMHSA-N 2 0 262.184 2.575 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817939759 632743879 /nfs/dbraw/zinc/74/38/79/632743879.db2.gz BSXWDGLRUMQDPW-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C)c1ccc2c(c1)CCCO2 ZINC000817939610 632744402 /nfs/dbraw/zinc/74/44/02/632744402.db2.gz FWDFUFHPQRBTBP-OAHLLOKOSA-N 2 0 262.397 2.662 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817942462 632744977 /nfs/dbraw/zinc/74/49/77/632744977.db2.gz ZFLNQNKKKCAIDV-CQSZACIVSA-N 2 0 284.407 2.523 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000817945436 632747310 /nfs/dbraw/zinc/74/73/10/632747310.db2.gz CRZUYBYMRIFFJA-STQMWFEESA-N 2 0 250.361 2.784 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000817945433 632747814 /nfs/dbraw/zinc/74/78/14/632747814.db2.gz CRZUYBYMRIFFJA-CHWSQXEVSA-N 2 0 250.361 2.784 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817947250 632749084 /nfs/dbraw/zinc/74/90/84/632749084.db2.gz AXBRYFFJVDUSAF-AWEZNQCLSA-N 2 0 272.392 2.892 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)nc1 ZINC000817947732 632749386 /nfs/dbraw/zinc/74/93/86/632749386.db2.gz PMTUDQYZPPMLJI-GCVQQVDUSA-N 2 0 298.228 2.765 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000817947921 632749682 /nfs/dbraw/zinc/74/96/82/632749682.db2.gz FKQNOGXXBXAXRW-QGZVFWFLSA-N 2 0 258.409 2.856 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C12CCC2 ZINC000817950238 632750258 /nfs/dbraw/zinc/75/02/58/632750258.db2.gz WWGYAYULAMNOAU-IRXDYDNUSA-N 2 0 288.435 2.625 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C12CCC2 ZINC000817950237 632750916 /nfs/dbraw/zinc/75/09/16/632750916.db2.gz WWGYAYULAMNOAU-IAGOWNOFSA-N 2 0 288.435 2.625 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817954743 632754413 /nfs/dbraw/zinc/75/44/13/632754413.db2.gz ICJFNQPWAZBWGF-ZIAGYGMSSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817961821 632760351 /nfs/dbraw/zinc/76/03/51/632760351.db2.gz DDAXBOITMXGXNC-YUMQZZPRSA-N 2 0 276.211 2.821 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817961819 632761425 /nfs/dbraw/zinc/76/14/25/632761425.db2.gz DDAXBOITMXGXNC-JGVFFNPUSA-N 2 0 276.211 2.821 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817961820 632762230 /nfs/dbraw/zinc/76/22/30/632762230.db2.gz DDAXBOITMXGXNC-SFYZADRCSA-N 2 0 276.211 2.821 20 0 CFADRP COc1c(C)cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1Cl ZINC000817963922 632763003 /nfs/dbraw/zinc/76/30/03/632763003.db2.gz YJBYMKXKDUATEE-KOLCDFICSA-N 2 0 270.804 2.902 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000817968814 632767728 /nfs/dbraw/zinc/76/77/28/632767728.db2.gz MWUNDLFWHRYVNS-IAGOWNOFSA-N 2 0 260.425 2.985 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)C1 ZINC000817970406 632768266 /nfs/dbraw/zinc/76/82/66/632768266.db2.gz UVCVDLDZCWEBMT-ZLZJIPBDSA-N 2 0 288.435 2.676 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnn(-c2ccccc2)c1 ZINC000817970345 632768384 /nfs/dbraw/zinc/76/83/84/632768384.db2.gz RSRMILZACPVYDT-BPUTZDHNSA-N 2 0 284.407 2.793 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000817971223 632771028 /nfs/dbraw/zinc/77/10/28/632771028.db2.gz KZCCDAIINQWYBH-HEHGZKQESA-N 2 0 292.423 2.633 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCO2 ZINC000817976375 632774493 /nfs/dbraw/zinc/77/44/93/632774493.db2.gz KWCCGRIPEYHGAS-RDJZCZTQSA-N 2 0 286.419 2.804 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817980965 632777989 /nfs/dbraw/zinc/77/79/89/632777989.db2.gz GBPJIFPMGLWNAD-KCXAZCMYSA-N 2 0 274.408 2.790 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000817982343 632778791 /nfs/dbraw/zinc/77/87/91/632778791.db2.gz CJCWLIUXPWNCQH-DAWZGUTISA-N 3 0 289.467 2.929 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)n(C)n1 ZINC000817983071 632779569 /nfs/dbraw/zinc/77/95/69/632779569.db2.gz JUOMYYYARCJWEK-ZBFHGGJFSA-N 2 0 286.423 2.859 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000817984940 632781063 /nfs/dbraw/zinc/78/10/63/632781063.db2.gz CQYLMFOGZDATGQ-ZOBORPQBSA-N 2 0 270.486 2.884 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccnc(Cl)c1 ZINC000817985022 632781352 /nfs/dbraw/zinc/78/13/52/632781352.db2.gz FQUMNKJUBIMISU-AHLTXXRQSA-N 2 0 279.815 2.774 20 0 CFADRP Cc1[nH+]c2cc(NCC3CC[NH+](C)CC3)ccc2n1C ZINC000846747725 632782525 /nfs/dbraw/zinc/78/25/25/632782525.db2.gz UGGJJYYSGNKQEN-UHFFFAOYSA-N 2 0 272.396 2.635 20 0 CFADRP Cc1ccc(OCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000818340993 632831997 /nfs/dbraw/zinc/83/19/97/632831997.db2.gz UPFGXWVATQOHLZ-MRXNPFEDSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000818968681 632917576 /nfs/dbraw/zinc/91/75/76/632917576.db2.gz FCPZXOYOEIIXBL-QAPCUYQASA-N 2 0 290.451 2.740 20 0 CFADRP C[C@H](C[NH2+]C[C@H](O)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000818968640 632917844 /nfs/dbraw/zinc/91/78/44/632917844.db2.gz DHEYBJKSNCSKBV-PBHICJAKSA-N 2 0 294.414 2.571 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000818974411 632919801 /nfs/dbraw/zinc/91/98/01/632919801.db2.gz NFJCZFLHUUKMOL-MRXNPFEDSA-N 2 0 296.842 2.695 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000818980584 632920998 /nfs/dbraw/zinc/92/09/98/632920998.db2.gz MGIATNOZPBNUKG-FUHWJXTLSA-N 2 0 290.451 2.658 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000818990862 632923705 /nfs/dbraw/zinc/92/37/05/632923705.db2.gz QLIXMUQUVLPQNB-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000819083000 632958485 /nfs/dbraw/zinc/95/84/85/632958485.db2.gz UCMDMBMMQMOIOA-DLBZAZTESA-N 2 0 292.467 2.984 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000819102047 632965454 /nfs/dbraw/zinc/96/54/54/632965454.db2.gz GHUDHYHMLVAAIN-GOEBONIOSA-N 2 0 278.440 2.594 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000819102451 632965558 /nfs/dbraw/zinc/96/55/58/632965558.db2.gz JRILZFBOLHMAMG-DOMZBBRYSA-N 2 0 298.858 2.939 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000819185204 633005941 /nfs/dbraw/zinc/00/59/41/633005941.db2.gz MGGIIHGGTUTNAT-LEOMRAHMSA-N 2 0 290.451 2.738 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1=CC[N@H+](C)CC1 ZINC000819221239 633025587 /nfs/dbraw/zinc/02/55/87/633025587.db2.gz VZQDJPZCVJUPGL-WBMJQRKESA-N 2 0 294.826 2.613 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000819221265 633025597 /nfs/dbraw/zinc/02/55/97/633025597.db2.gz WNQPPQLZSAKOLE-MLGOLLRUSA-N 2 0 294.826 2.613 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1=CC[N@H+](C)CC1 ZINC000819221238 633026044 /nfs/dbraw/zinc/02/60/44/633026044.db2.gz VZQDJPZCVJUPGL-LRDDRELGSA-N 2 0 294.826 2.613 20 0 CFADRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccccc1)[NH+]1CCCCC1 ZINC000819231392 633028945 /nfs/dbraw/zinc/02/89/45/633028945.db2.gz VMKBGQXDMGWZHU-DOTOQJQBSA-N 2 0 276.424 2.574 20 0 CFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000819334119 633090394 /nfs/dbraw/zinc/09/03/94/633090394.db2.gz VLKGROXGKUQPJS-QGZVFWFLSA-N 2 0 294.414 2.715 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnc(Cl)c1 ZINC000848556959 633288903 /nfs/dbraw/zinc/28/89/03/633288903.db2.gz DRCXIHQBWJZHHQ-GMXVVIOVSA-N 2 0 267.804 2.726 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848559813 633289441 /nfs/dbraw/zinc/28/94/41/633289441.db2.gz ZZZWWWKQDAEAFA-DUVNUKRYSA-N 2 0 264.388 2.687 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)cc1 ZINC000848718384 633323850 /nfs/dbraw/zinc/32/38/50/633323850.db2.gz LXBJHWCOVGIKCH-BBWFWOEESA-N 2 0 287.451 2.823 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000848989503 633419430 /nfs/dbraw/zinc/41/94/30/633419430.db2.gz VOPJKNBWQFNMJP-KBPBESRZSA-N 2 0 268.449 2.553 20 0 CFADRP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[NH+]1CCCCC1 ZINC000848995652 633450901 /nfs/dbraw/zinc/45/09/01/633450901.db2.gz ZKEULSJDWMVVCZ-NSHDSACASA-N 2 0 296.365 2.775 20 0 CFADRP CCCCCCNC(=[NH2+])NC[C@H](C)[NH+]1CCCCC1 ZINC000848995625 633450908 /nfs/dbraw/zinc/45/09/08/633450908.db2.gz XBWXKBDULMVCPD-AWEZNQCLSA-N 2 0 268.449 2.555 20 0 CFADRP C[C@@H](CNC(=[NH2+])NC1CCCCCC1)[NH+]1CCCCC1 ZINC000848995638 633451194 /nfs/dbraw/zinc/45/11/94/633451194.db2.gz XXUBVBGJTUBKBD-AWEZNQCLSA-N 2 0 280.460 2.698 20 0 CFADRP CN(C(=[NH2+])NCCCCCCC[NH+]1CCCC1)C1CC1 ZINC000848997142 633451730 /nfs/dbraw/zinc/45/17/30/633451730.db2.gz YMTLZOATGIWNDV-UHFFFAOYSA-N 2 0 280.460 2.651 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCC2CC[NH+](CC)CC2)cc1 ZINC000848996354 633452005 /nfs/dbraw/zinc/45/20/05/633452005.db2.gz WPSZNCQHBIORRF-UHFFFAOYSA-N 2 0 288.439 2.917 20 0 CFADRP CCc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000848996487 633452232 /nfs/dbraw/zinc/45/22/32/633452232.db2.gz YMRGIUFEZLQDQA-OAHLLOKOSA-N 2 0 288.439 2.916 20 0 CFADRP Cc1ccc(NC(=[NH2+])NCC[N@H+]2CC[C@H](C)C2)cc1C ZINC000849004149 633455691 /nfs/dbraw/zinc/45/56/91/633455691.db2.gz BYDBGYVVSIENQA-LBPRGKRZSA-N 2 0 274.412 2.582 20 0 CFADRP CC1(C)CCC[N@H+](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000849022971 633465338 /nfs/dbraw/zinc/46/53/38/633465338.db2.gz AGUDSFKCDSGBQP-UHFFFAOYSA-N 2 0 280.460 2.555 20 0 CFADRP CC(C)(CNC(=[NH2+])NC1CCCCC1)C[NH+]1CCCC1 ZINC000849022030 633465431 /nfs/dbraw/zinc/46/54/31/633465431.db2.gz TXMHMHUSLRMTNB-UHFFFAOYSA-N 2 0 280.460 2.555 20 0 CFADRP CC(C)NC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849026773 633467829 /nfs/dbraw/zinc/46/78/29/633467829.db2.gz URPDDXGSLQKKNV-UHFFFAOYSA-N 2 0 280.460 2.555 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCCC[N@@H+](C)CC(C)C)c1 ZINC000849046881 633479509 /nfs/dbraw/zinc/47/95/09/633479509.db2.gz MOHDHFNQVBISIR-UHFFFAOYSA-N 2 0 276.428 2.909 20 0 CFADRP CC(C)C[N@H+](C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000849047459 633479548 /nfs/dbraw/zinc/47/95/48/633479548.db2.gz XDIWMUOYRBAVGI-UHFFFAOYSA-N 2 0 262.401 2.601 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCCC[N@H+](CC)C1CCCCC1 ZINC000849047242 633479721 /nfs/dbraw/zinc/47/97/21/633479721.db2.gz RQGJZAQCLQZHQN-AWEZNQCLSA-N 2 0 282.476 2.944 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849063719 633483366 /nfs/dbraw/zinc/48/33/66/633483366.db2.gz OVZSJKFDWSZOHN-JKSUJKDBSA-N 2 0 294.487 2.897 20 0 CFADRP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849106070 633486200 /nfs/dbraw/zinc/48/62/00/633486200.db2.gz RRYUSCJMZLTJSX-MRXNPFEDSA-N 2 0 294.487 2.944 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc3C2)CC1(C)C ZINC000858090114 636122253 /nfs/dbraw/zinc/12/22/53/636122253.db2.gz LXCDIZOCVUUIPM-ZBFHGGJFSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850440031 633993204 /nfs/dbraw/zinc/99/32/04/633993204.db2.gz RQMSUSJEGWQHOK-FRRDWIJNSA-N 2 0 262.438 2.540 20 0 CFADRP Cc1nc(F)ccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092893 634901528 /nfs/dbraw/zinc/90/15/28/634901528.db2.gz SRSJSFYMBMDZRR-OAHLLOKOSA-N 2 0 291.414 2.741 20 0 CFADRP COc1ccc2c(NCC[C@H](C)[NH+](C)C)cc[nH+]c2c1 ZINC000853798974 635110368 /nfs/dbraw/zinc/11/03/68/635110368.db2.gz MOVCQWYDLKZFCI-LBPRGKRZSA-N 2 0 273.380 2.996 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1SCCS1 ZINC000854230182 635267168 /nfs/dbraw/zinc/26/71/68/635267168.db2.gz JGBSHGWIOWXJDJ-GXTWGEPZSA-N 2 0 296.505 2.731 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000854232276 635267947 /nfs/dbraw/zinc/26/79/47/635267947.db2.gz OTUHHHFONRLSJW-YNEHKIRRSA-N 2 0 262.397 2.788 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnc(F)c2)c1 ZINC000858091769 636122915 /nfs/dbraw/zinc/12/29/15/636122915.db2.gz FKPSRXGKDAKSKF-UHFFFAOYSA-N 2 0 273.355 2.572 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858107108 636127727 /nfs/dbraw/zinc/12/77/27/636127727.db2.gz ZUZHJAZGOJRSQY-CJNGLKHVSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858107107 636127861 /nfs/dbraw/zinc/12/78/61/636127861.db2.gz ZUZHJAZGOJRSQY-BBRMVZONSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1ccc(F)cc1 ZINC000858138637 636136337 /nfs/dbraw/zinc/13/63/37/636136337.db2.gz GUOFAMNOFJRTCI-MAZHCROVSA-N 2 0 294.414 2.710 20 0 CFADRP Cc1cc([C@@](C)(O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC000858145349 636137784 /nfs/dbraw/zinc/13/77/84/636137784.db2.gz RQKIRBWIEPBCSH-PBHICJAKSA-N 2 0 294.439 2.566 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858359261 636206726 /nfs/dbraw/zinc/20/67/26/636206726.db2.gz DRNMSMJKVWMXAC-PBHICJAKSA-N 2 0 297.402 2.821 20 0 CFADRP COC(=O)CC1CCC([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000858368489 636210625 /nfs/dbraw/zinc/21/06/25/636210625.db2.gz BKFGFTNHUQURQY-SSHXOBKSSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC000858484704 636267845 /nfs/dbraw/zinc/26/78/45/636267845.db2.gz YWAUOGXNCKXKBL-KSSFIOAISA-N 2 0 297.402 2.506 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)Nc1cc[nH+]c(CO)c1)[NH+](C)C ZINC000858546118 636288331 /nfs/dbraw/zinc/28/83/31/636288331.db2.gz ZRFHWTJKFRUFKD-KDOFPFPSSA-N 2 0 299.418 2.986 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)C(C)(C)C)cc1 ZINC000859212431 636506600 /nfs/dbraw/zinc/50/66/00/636506600.db2.gz JSLTUHZDQCNEHM-MRXNPFEDSA-N 2 0 278.440 2.587 20 0 CFADRP CCOC1CC(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000859212754 636507490 /nfs/dbraw/zinc/50/74/90/636507490.db2.gz OHTNORBALVGWCW-UHFFFAOYSA-N 2 0 290.451 2.995 20 0 CFADRP C[C@H](C[N@H+](C)C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000859861367 636729010 /nfs/dbraw/zinc/72/90/10/636729010.db2.gz GTSRFPFXXULJCU-WBVHZDCISA-N 2 0 282.472 2.591 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4n[nH]cc43)C2)CC1 ZINC000862352882 637327211 /nfs/dbraw/zinc/32/72/11/637327211.db2.gz OFFWMSPYIOSDQD-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnc(C4CC4)o3)C2)CC1 ZINC000862352678 637327566 /nfs/dbraw/zinc/32/75/66/637327566.db2.gz IYWWKVQCPKRQFU-UHFFFAOYSA-N 2 0 289.423 2.860 20 0 CFADRP FC(F)C1CC([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000862522878 637406613 /nfs/dbraw/zinc/40/66/13/637406613.db2.gz KKZVDIHHFMZVHB-GCZXYKMCSA-N 2 0 258.356 2.637 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(F)nc2)CC1 ZINC000188992161 650355125 /nfs/dbraw/zinc/35/51/25/650355125.db2.gz UZNMETKONROLJO-UHFFFAOYSA-N 2 0 279.403 2.822 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000863548885 637692830 /nfs/dbraw/zinc/69/28/30/637692830.db2.gz UPDWELRGSHZLDK-OTYXRUKQSA-N 2 0 250.773 2.525 20 0 CFADRP CCCC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443286 650389094 /nfs/dbraw/zinc/38/90/94/650389094.db2.gz DENPCQHMTXYWAT-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000925493677 638301470 /nfs/dbraw/zinc/30/14/70/638301470.db2.gz LOXCSDPZAVVXMU-DZGCQCFKSA-N 2 0 293.480 2.615 20 0 CFADRP O=c1ccc(C[NH2+]CCCCCCC[NH+]2CCCC2)c[nH]1 ZINC000865450739 638342278 /nfs/dbraw/zinc/34/22/78/638342278.db2.gz FCMMXAOJGLNLBG-UHFFFAOYSA-N 2 0 291.439 2.923 20 0 CFADRP C[C@@H]1C[C@@H](Nc2ccncc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000865600922 638450744 /nfs/dbraw/zinc/45/07/44/638450744.db2.gz VJDRTRVPVSWDDQ-NXEZZACHSA-N 2 0 285.313 2.559 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)CO1 ZINC000865716847 638531397 /nfs/dbraw/zinc/53/13/97/638531397.db2.gz FYJIAFKJSDCKOD-HOTGVXAUSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H]2CCSC2)CC1 ZINC000865717501 638532690 /nfs/dbraw/zinc/53/26/90/638532690.db2.gz ZUTGKXFOLULNNT-OAHLLOKOSA-N 2 0 270.486 2.840 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000865717195 638532873 /nfs/dbraw/zinc/53/28/73/638532873.db2.gz RRQVDEQMDKYDDK-UHFFFAOYSA-N 2 0 298.862 2.674 20 0 CFADRP CCn1ccnc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717455 638532888 /nfs/dbraw/zinc/53/28/88/638532888.db2.gz YRJATSHCIDQHFH-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000865717182 638532958 /nfs/dbraw/zinc/53/29/58/638532958.db2.gz RLWCVOQSCINTND-YCPHGPKFSA-N 2 0 268.445 2.652 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccncc2)(c2ccccc2)CC1 ZINC000865774579 638565962 /nfs/dbraw/zinc/56/59/62/638565962.db2.gz XRGYNXREBJYGLK-UHFFFAOYSA-N 2 0 295.430 2.835 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2([C@H]3CCCCO3)CCC2)CC1(C)C ZINC000865856689 638616916 /nfs/dbraw/zinc/61/69/16/638616916.db2.gz JXWLIXFCYHUBDM-HUUCEWRRSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(c3ccnc4ccsc43)CC[C@@H]21 ZINC000866207552 638770581 /nfs/dbraw/zinc/77/05/81/638770581.db2.gz XIPFZRQKCJSCHL-AAEUAGOBSA-N 2 0 273.405 2.827 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866207843 638770984 /nfs/dbraw/zinc/77/09/84/638770984.db2.gz XUBXSAFGKCEANM-DYVFJYSZSA-N 2 0 297.402 2.774 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866211127 638771211 /nfs/dbraw/zinc/77/12/11/638771211.db2.gz GTAXAGYCFDZOKT-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866213394 638771925 /nfs/dbraw/zinc/77/19/25/638771925.db2.gz QHQUPMAENKICOO-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)C1 ZINC000866283255 638788670 /nfs/dbraw/zinc/78/86/70/638788670.db2.gz WQMKYWZOKSEMLF-YVSFHVDLSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H](CCc1cccnc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000866378380 638809447 /nfs/dbraw/zinc/80/94/47/638809447.db2.gz PLBMKKPNVXXWJB-OOHWJJMZSA-N 2 0 275.440 2.865 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000866467599 638826220 /nfs/dbraw/zinc/82/62/20/638826220.db2.gz LQYCEBZMNZFWJM-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)[C@@H]1CCOC1 ZINC000866467897 638826262 /nfs/dbraw/zinc/82/62/62/638826262.db2.gz TYBRSEGWEQIYTF-SJORKVTESA-N 2 0 282.472 2.902 20 0 CFADRP CCOC[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467222 638826288 /nfs/dbraw/zinc/82/62/88/638826288.db2.gz AIPHKJDOGZWBFM-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000866468303 638826767 /nfs/dbraw/zinc/82/67/67/638826767.db2.gz DOLDBPLWVBLYRB-HOCLYGCPSA-N 2 0 290.455 2.989 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2)[C@H]2CCC[C@H]21 ZINC000866479923 638828023 /nfs/dbraw/zinc/82/80/23/638828023.db2.gz AWGCOVHFGJTPNN-LJISPDSOSA-N 2 0 268.470 2.735 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C)c1 ZINC000866515442 638833864 /nfs/dbraw/zinc/83/38/64/638833864.db2.gz BSQZGYYIKJFRBI-PCKAHOCUSA-N 2 0 278.444 2.724 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C)c1 ZINC000866515441 638834005 /nfs/dbraw/zinc/83/40/05/638834005.db2.gz BSQZGYYIKJFRBI-HWOWSKLDSA-N 2 0 278.444 2.724 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1nccn1C ZINC000866515841 638834158 /nfs/dbraw/zinc/83/41/58/638834158.db2.gz JZOAVBNCLXABMF-BBBYJDLNSA-N 2 0 278.444 2.724 20 0 CFADRP CCn1ccnc1[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518321 638834598 /nfs/dbraw/zinc/83/45/98/638834598.db2.gz XKSKPFSQLMQHFX-VQCLRJIVSA-N 2 0 278.444 2.817 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)c(Cl)n2)CC1 ZINC000866658943 638861586 /nfs/dbraw/zinc/86/15/86/638861586.db2.gz ANFXMWMBIAZWPW-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)nc1Cl ZINC000866659644 638861882 /nfs/dbraw/zinc/86/18/82/638861882.db2.gz QGIYHHLYWVPTPI-NSHDSACASA-N 2 0 267.804 2.603 20 0 CFADRP [NH3+][C@@H]1CN(CCCC2CC2)C[C@H]1c1cccc(F)c1 ZINC000866665550 638862711 /nfs/dbraw/zinc/86/27/11/638862711.db2.gz FHQBXMCQYOQDOF-JKSUJKDBSA-N 2 0 262.372 2.742 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCC(C)(C)CO1)CC[NH2+]CC2 ZINC000866667358 638863332 /nfs/dbraw/zinc/86/33/32/638863332.db2.gz KDJNZYQVXQYSOG-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3CSC[C@H]3C1)C[NH2+]CC2 ZINC000866704626 638868519 /nfs/dbraw/zinc/86/85/19/638868519.db2.gz WQIGPPIVUAFXPC-DOTOQJQBSA-N 2 0 288.460 2.517 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOCc2ccccc2)C1 ZINC000866707399 638868937 /nfs/dbraw/zinc/86/89/37/638868937.db2.gz NSDUDLDTLDFEIK-SFHVURJKSA-N 2 0 290.451 2.900 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCC2SCCS2)C1 ZINC000866708022 638869184 /nfs/dbraw/zinc/86/91/84/638869184.db2.gz LBUIXPMXSCUZTM-AWEZNQCLSA-N 2 0 288.526 2.880 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000866710598 638869891 /nfs/dbraw/zinc/86/98/91/638869891.db2.gz ZMWZGYRDTZGCHL-FQLMCAECSA-N 2 0 250.430 2.729 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121628936 638879161 /nfs/dbraw/zinc/87/91/61/638879161.db2.gz OEWBOIZRHTYLFX-SFHVURJKSA-N 2 0 290.451 2.692 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)[C@H](C)C1 ZINC000122292732 638979458 /nfs/dbraw/zinc/97/94/58/638979458.db2.gz MNBIPTGYUCLVNV-HZMVEIRTSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000872029498 641559102 /nfs/dbraw/zinc/55/91/02/641559102.db2.gz QRYKJOUNXSXFOD-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872028337 641559490 /nfs/dbraw/zinc/55/94/90/641559490.db2.gz JGSUBFIHNIZFNS-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(O)ccc1F ZINC000872035933 641568422 /nfs/dbraw/zinc/56/84/22/641568422.db2.gz ZWNGRZQVTLWJHO-NSHDSACASA-N 2 0 266.360 2.524 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872041734 641576534 /nfs/dbraw/zinc/57/65/34/641576534.db2.gz KPCKRVDGINLCPZ-OLZOCXBDSA-N 2 0 298.402 2.539 20 0 CFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)CC ZINC000872069112 641601157 /nfs/dbraw/zinc/60/11/57/641601157.db2.gz MUJIEWKGZHUDRE-OAHLLOKOSA-N 2 0 283.504 2.817 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000872079073 641611413 /nfs/dbraw/zinc/61/14/13/641611413.db2.gz LGZWDABRJIDKDS-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000872106748 641637324 /nfs/dbraw/zinc/63/73/24/641637324.db2.gz LCAXZIFGHSKFKK-AWEZNQCLSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000872109044 641640004 /nfs/dbraw/zinc/64/00/04/641640004.db2.gz GMBSJWCUUPOBTQ-BPUTZDHNSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC(C)C)CCC2)[C@H](C)C1 ZINC000872116358 641646670 /nfs/dbraw/zinc/64/66/70/641646670.db2.gz KSWDUJWLYAWLDC-CABCVRRESA-N 2 0 268.445 2.654 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000872144847 641671683 /nfs/dbraw/zinc/67/16/83/641671683.db2.gz KHGTWNNPBJQGND-XDNAFOTISA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000872145756 641672553 /nfs/dbraw/zinc/67/25/53/641672553.db2.gz XHSWWUDGEGYIRN-MPTYRVRUSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCCCCC[NH3+] ZINC000872154807 641675101 /nfs/dbraw/zinc/67/51/01/641675101.db2.gz AZKBBROIVBPMOD-PCKAHOCUSA-N 2 0 297.487 2.521 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2ccon2)C1)C1CCCC1 ZINC000872158478 641678850 /nfs/dbraw/zinc/67/88/50/641678850.db2.gz VMRRGAFABZYLBO-CJNGLKHVSA-N 2 0 277.412 2.794 20 0 CFADRP Cn1nccc1C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158631 641679385 /nfs/dbraw/zinc/67/93/85/641679385.db2.gz WKKYJWLRASTMRK-PBHICJAKSA-N 2 0 290.455 2.540 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000872250788 641717518 /nfs/dbraw/zinc/71/75/18/641717518.db2.gz BRHHWMKQAGWUCC-MRXNPFEDSA-N 2 0 274.408 2.585 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872255334 641720299 /nfs/dbraw/zinc/72/02/99/641720299.db2.gz CCSBBJCMVSLENV-GOEBONIOSA-N 2 0 268.445 2.783 20 0 CFADRP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872469033 641822165 /nfs/dbraw/zinc/82/21/65/641822165.db2.gz ILKJIJIVWGCMPD-CQSZACIVSA-N 2 0 259.397 2.880 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000872475206 641825697 /nfs/dbraw/zinc/82/56/97/641825697.db2.gz MAJIBYCEEVGDQY-UONOGXRCSA-N 2 0 259.397 2.666 20 0 CFADRP C[N@H+](CCCCNc1cc[nH+]cc1C1CC1)C1CC1 ZINC000872567405 641859021 /nfs/dbraw/zinc/85/90/21/641859021.db2.gz MVYQHBZQAMAQBP-UHFFFAOYSA-N 2 0 259.397 2.667 20 0 CFADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]c2ccccc21 ZINC000872778733 641932731 /nfs/dbraw/zinc/93/27/31/641932731.db2.gz BKDFRUCYIOSZBD-IRXDYDNUSA-N 2 0 267.376 2.908 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000873149753 642032050 /nfs/dbraw/zinc/03/20/50/642032050.db2.gz SYXXHFNAACINLE-UHFFFAOYSA-N 2 0 298.434 2.982 20 0 CFADRP c1c(C[NH2+][C@@H]2CNc3ccccc3C2)sc2c1C[NH2+]CC2 ZINC000873213962 642070675 /nfs/dbraw/zinc/07/06/75/642070675.db2.gz SPGNVJZOACCDQQ-AWEZNQCLSA-N 2 0 299.443 2.520 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H](C)C2CC[NH2+]CC2)s1 ZINC000873220323 642073849 /nfs/dbraw/zinc/07/38/49/642073849.db2.gz JUDCQBXQUIWEEM-GFCCVEGCSA-N 2 0 281.469 2.819 20 0 CFADRP C[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)C1CC[NH2+]CC1 ZINC000873220924 642073994 /nfs/dbraw/zinc/07/39/94/642073994.db2.gz WWLKOAVRHGKFQV-QMMMGPOBSA-N 2 0 293.358 2.640 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000873222194 642075557 /nfs/dbraw/zinc/07/55/57/642075557.db2.gz FUZCBGSFORRWIQ-JTQLQIEISA-N 2 0 270.779 2.957 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)C1CC[NH2+]CC1 ZINC000873222554 642075954 /nfs/dbraw/zinc/07/59/54/642075954.db2.gz ZIXZHHDXHWMQRN-NSHDSACASA-N 2 0 284.350 2.766 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+]C2(CCOC)CC[NH2+]CC2)C1 ZINC000873225177 642077752 /nfs/dbraw/zinc/07/77/52/642077752.db2.gz SIIGQCKPGDHKES-HZPDHXFCSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)[nH]n1 ZINC000873227036 642080046 /nfs/dbraw/zinc/08/00/46/642080046.db2.gz GBNWINSOQOQZOS-RHSMWYFYSA-N 2 0 290.455 2.712 20 0 CFADRP COCCC1([NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]CC1 ZINC000873225529 642080266 /nfs/dbraw/zinc/08/02/66/642080266.db2.gz RXBVWPVINCKDQI-UHFFFAOYSA-N 2 0 298.377 2.873 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1C(F)(F)F ZINC000873227657 642080608 /nfs/dbraw/zinc/08/06/08/642080608.db2.gz KNUMFIYSKHWAHN-DZGCQCFKSA-N 2 0 298.352 2.744 20 0 CFADRP CCc1nn(C)c(Cl)c1CN(C)CCCCCC[NH3+] ZINC000873231930 642084769 /nfs/dbraw/zinc/08/47/69/642084769.db2.gz ZVKACFGAADZBGG-UHFFFAOYSA-N 2 0 286.851 2.587 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232690 642086789 /nfs/dbraw/zinc/08/67/89/642086789.db2.gz WRTPCASTVYSOTB-SZMVWBNQSA-N 2 0 293.499 2.606 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232688 642087261 /nfs/dbraw/zinc/08/72/61/642087261.db2.gz WRTPCASTVYSOTB-NJAFHUGGSA-N 2 0 293.499 2.606 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCSC1 ZINC000873235764 642088142 /nfs/dbraw/zinc/08/81/42/642088142.db2.gz QBRKZMCUFMVMMA-IMJJTQAJSA-N 2 0 278.465 2.678 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000873235296 642088283 /nfs/dbraw/zinc/08/82/83/642088283.db2.gz NLKUADCXELDXEP-IXDOHACOSA-N 2 0 260.425 2.971 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000873241626 642090689 /nfs/dbraw/zinc/09/06/89/642090689.db2.gz HQHLRLCKNKZJHU-SOUVJXGZSA-N 2 0 277.387 2.621 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCS1 ZINC000873244973 642093011 /nfs/dbraw/zinc/09/30/11/642093011.db2.gz XCCOMOYPJARGBG-CWRNSKLLSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCCS1 ZINC000873244974 642093070 /nfs/dbraw/zinc/09/30/70/642093070.db2.gz XCCOMOYPJARGBG-IMJJTQAJSA-N 2 0 278.465 2.820 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000873250394 642096411 /nfs/dbraw/zinc/09/64/11/642096411.db2.gz HEFZKPYIAUIURH-HZSPNIEDSA-N 2 0 268.351 2.580 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000873249897 642097133 /nfs/dbraw/zinc/09/71/33/642097133.db2.gz NHTZZNSJXIGGAH-PWNZVWSESA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc2c(s1)CCC2 ZINC000873251412 642097434 /nfs/dbraw/zinc/09/74/34/642097434.db2.gz MONJODFCAIGMOI-FOGDFJRCSA-N 2 0 250.411 2.625 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251914 642097579 /nfs/dbraw/zinc/09/75/79/642097579.db2.gz MHVLZUMNRKONMN-GHMZBOCLSA-N 2 0 284.391 2.922 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873251922 642097756 /nfs/dbraw/zinc/09/77/56/642097756.db2.gz MHVLZUMNRKONMN-WDEREUQCSA-N 2 0 284.391 2.922 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000873252482 642097805 /nfs/dbraw/zinc/09/78/05/642097805.db2.gz SSTIMFIPJXSRBU-LJWDBELGSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000873252236 642097850 /nfs/dbraw/zinc/09/78/50/642097850.db2.gz QSAFRTYLSLCIBR-MRTMQBJTSA-N 2 0 288.222 2.964 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)CCCS2 ZINC000873254946 642100788 /nfs/dbraw/zinc/10/07/88/642100788.db2.gz CBHIXEGMOWJZQB-HUBLWGQQSA-N 2 0 292.448 2.949 20 0 CFADRP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1Cl ZINC000873256425 642101647 /nfs/dbraw/zinc/10/16/47/642101647.db2.gz NOOAWDYHENIROJ-MXWKQRLJSA-N 2 0 298.814 2.745 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000873255844 642101790 /nfs/dbraw/zinc/10/17/90/642101790.db2.gz IUTUGAGBYZFKKD-CKEIUWERSA-N 2 0 296.418 2.577 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OCC ZINC000873257585 642102616 /nfs/dbraw/zinc/10/26/16/642102616.db2.gz VPVUVGRFESZOHD-KCQAQPDRSA-N 2 0 292.423 2.872 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873257193 642102667 /nfs/dbraw/zinc/10/26/67/642102667.db2.gz FMDGMMOOGZGJCV-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000873257654 642103756 /nfs/dbraw/zinc/10/37/56/642103756.db2.gz WBMWDTLPEZFYHN-DJSGYFEHSA-N 2 0 278.827 2.988 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1Cl ZINC000873260101 642104075 /nfs/dbraw/zinc/10/40/75/642104075.db2.gz SDGZNIQJUOSHII-RVMXOQNASA-N 2 0 279.815 2.916 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260465 642105086 /nfs/dbraw/zinc/10/50/86/642105086.db2.gz AYCFHTJEHDLXSC-LOUJCGABSA-N 2 0 286.419 2.890 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000873264316 642107891 /nfs/dbraw/zinc/10/78/91/642107891.db2.gz DDSMCFTYOVYRKM-HUUCEWRRSA-N 2 0 298.434 2.911 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CC2 ZINC000873267493 642110389 /nfs/dbraw/zinc/11/03/89/642110389.db2.gz DWCRMFMBAVRWPN-CXAGYDPISA-N 2 0 258.409 2.960 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cnn1C(C)C ZINC000873269058 642111233 /nfs/dbraw/zinc/11/12/33/642111233.db2.gz KQXMOGBDINRWGD-CHWSQXEVSA-N 2 0 278.444 2.811 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)o1 ZINC000873268571 642111330 /nfs/dbraw/zinc/11/13/30/642111330.db2.gz XFPFHOOTPGDCNS-NEPJUHHUSA-N 2 0 250.386 2.881 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCCF)C1CC[NH2+]CC1 ZINC000873269515 642111734 /nfs/dbraw/zinc/11/17/34/642111734.db2.gz QULWZYYRKOZRNC-YUELXQCFSA-N 2 0 256.409 2.883 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C1CC[NH2+]CC1 ZINC000873269552 642111994 /nfs/dbraw/zinc/11/19/94/642111994.db2.gz RREHLMZOHBUUMD-PXAZEXFGSA-N 2 0 274.408 2.747 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000873269171 642112003 /nfs/dbraw/zinc/11/20/03/642112003.db2.gz DDSMCFTYOVYRKM-GJZGRUSLSA-N 2 0 298.434 2.911 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)o1 ZINC000873272905 642113773 /nfs/dbraw/zinc/11/37/73/642113773.db2.gz XFPFHOOTPGDCNS-NWDGAFQWSA-N 2 0 250.386 2.881 20 0 CFADRP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000873273621 642114055 /nfs/dbraw/zinc/11/40/55/642114055.db2.gz JNRUKBBKEMVWOR-ODXJTPSBSA-N 2 0 288.357 2.861 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273682 642114523 /nfs/dbraw/zinc/11/45/23/642114523.db2.gz KTKWMPVQMTUOJC-IJLUTSLNSA-N 2 0 264.335 2.991 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283472 642118024 /nfs/dbraw/zinc/11/80/24/642118024.db2.gz URWKGLAOGXQKLJ-SFYZADRCSA-N 2 0 295.736 2.969 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290668 642122838 /nfs/dbraw/zinc/12/28/38/642122838.db2.gz FPISVDGEZAMDCW-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873290608 642122920 /nfs/dbraw/zinc/12/29/20/642122920.db2.gz AROMTBGZYAYRQO-LSDHHAIUSA-N 2 0 294.464 2.948 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290663 642123127 /nfs/dbraw/zinc/12/31/27/642123127.db2.gz FMUSVQXDSKKCEJ-PMPSAXMXSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292142 642123934 /nfs/dbraw/zinc/12/39/34/642123934.db2.gz OMLONQDOZJNNCY-GDBMZVCRSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000873292127 642124230 /nfs/dbraw/zinc/12/42/30/642124230.db2.gz ZXFFRPMTFMFQRE-UONOGXRCSA-N 2 0 294.464 2.866 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294577 642125947 /nfs/dbraw/zinc/12/59/47/642125947.db2.gz WWSDSACKFLSAJO-ARFHVFGLSA-N 2 0 298.446 2.653 20 0 CFADRP c1ccc(NC2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000873296255 642127950 /nfs/dbraw/zinc/12/79/50/642127950.db2.gz WBBRCTCZTZFHSS-SIKJHEGQSA-N 2 0 285.435 2.607 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876758844 642998144 /nfs/dbraw/zinc/99/81/44/642998144.db2.gz NEHHUTJRMPANBU-CQSZACIVSA-N 2 0 270.486 2.936 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](CCc2ccccc2)CC1 ZINC000199962575 650805198 /nfs/dbraw/zinc/80/51/98/650805198.db2.gz HJAWJEHRKYDXAB-UHFFFAOYSA-N 2 0 260.425 2.926 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000876811909 643020158 /nfs/dbraw/zinc/02/01/58/643020158.db2.gz IHHMKBRGZGRPEX-KGLIPLIRSA-N 2 0 270.486 2.934 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1(C)CCCC1 ZINC000876810764 643021325 /nfs/dbraw/zinc/02/13/25/643021325.db2.gz DJVWDGZOLGWDRD-OAGGEKHMSA-N 2 0 280.456 2.750 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877457800 643279081 /nfs/dbraw/zinc/27/90/81/643279081.db2.gz CELUMIGUYBMLKS-NSHDSACASA-N 2 0 277.239 2.740 20 0 CFADRP C[NH+](C)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877461514 643282092 /nfs/dbraw/zinc/28/20/92/643282092.db2.gz BPZNJKWGWGHFDA-WMZOPIPTSA-N 2 0 287.451 2.506 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]CC2(C)CCCC2)CCCO1 ZINC000877477430 643294636 /nfs/dbraw/zinc/29/46/36/643294636.db2.gz DKHNAJGYIVKNET-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089140397 650828378 /nfs/dbraw/zinc/82/83/78/650828378.db2.gz JUBOFRJHJRLXBP-GXTWGEPZSA-N 2 0 284.350 2.895 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089143005 650828483 /nfs/dbraw/zinc/82/84/83/650828483.db2.gz SHHNIQFFTGCETO-PBHICJAKSA-N 2 0 291.439 2.556 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089140195 650828627 /nfs/dbraw/zinc/82/86/27/650828627.db2.gz CJPRAPGHTUWYBS-AAEUAGOBSA-N 2 0 284.350 2.895 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(F)c3N)C2)CC1 ZINC000877497346 643310115 /nfs/dbraw/zinc/31/01/15/643310115.db2.gz OBJPUFVLFZQRES-UHFFFAOYSA-N 2 0 291.414 2.716 20 0 CFADRP CC[C@@](C)(C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)OC ZINC000877524732 643328694 /nfs/dbraw/zinc/32/86/94/643328694.db2.gz DEXVGRQRMFQKST-KRWDZBQOSA-N 2 0 278.440 2.995 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000877531443 643335213 /nfs/dbraw/zinc/33/52/13/643335213.db2.gz MWSWXFNKUVEUHR-UONOGXRCSA-N 2 0 270.486 2.934 20 0 CFADRP Cc1cc(C)cc(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000877545953 643348411 /nfs/dbraw/zinc/34/84/11/643348411.db2.gz MYMZGBILVBMBEB-SFHVURJKSA-N 2 0 272.436 2.874 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877568022 643366712 /nfs/dbraw/zinc/36/67/12/643366712.db2.gz DUTPDJFUWZYAST-SNVBAGLBSA-N 2 0 267.244 2.890 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CSC2)CC1 ZINC000877634452 643419406 /nfs/dbraw/zinc/41/94/06/643419406.db2.gz KFSVKXUHVLEQPV-WFASDCNBSA-N 2 0 268.470 2.735 20 0 CFADRP CSC1(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC000877684769 643453173 /nfs/dbraw/zinc/45/31/73/643453173.db2.gz WSBBGXNPFFQYMG-UHFFFAOYSA-N 2 0 268.470 2.690 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC1(C)CCC1)CC2 ZINC000877684714 643453190 /nfs/dbraw/zinc/45/31/90/643453190.db2.gz UJCMFWMHTZJBTO-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP Cc1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cs1 ZINC000877685011 643453357 /nfs/dbraw/zinc/45/33/57/643453357.db2.gz HWUGDMCAXQTIIJ-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCSC1)CC2 ZINC000877684299 643453693 /nfs/dbraw/zinc/45/36/93/643453693.db2.gz KXGKPORFBLRLGK-AWEZNQCLSA-N 2 0 268.470 2.547 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(CC)([NH+](C)C)CC2)CCO1 ZINC000877691073 643456415 /nfs/dbraw/zinc/45/64/15/643456415.db2.gz ZIAFZHBSBKYUPA-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP COCC1(C[NH2+]CCC2CC[NH+](C(C)C)CC2)CCC1 ZINC000877696946 643459442 /nfs/dbraw/zinc/45/94/42/643459442.db2.gz CGEDMQPBPGAPTI-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@](C)(C[NH2+]CCC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000877698215 643460692 /nfs/dbraw/zinc/46/06/92/643460692.db2.gz VUQAXHSDJBFJAJ-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738542 643504193 /nfs/dbraw/zinc/50/41/93/643504193.db2.gz CDGRCLFIZIOWOI-WBVHZDCISA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(Cl)cc3)CC[C@H]21 ZINC000877739889 643505986 /nfs/dbraw/zinc/50/59/86/643505986.db2.gz IAVGBKKOYGNZNV-GOEBONIOSA-N 2 0 278.827 2.909 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1C ZINC000877742558 643513272 /nfs/dbraw/zinc/51/32/72/643513272.db2.gz FEXCZGUKWDQSEG-IRXDYDNUSA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]21 ZINC000877742673 643516283 /nfs/dbraw/zinc/51/62/83/643516283.db2.gz QKCNUQHCGRMRKS-XLAORIBOSA-N 2 0 270.420 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000877743959 643518929 /nfs/dbraw/zinc/51/89/29/643518929.db2.gz NPHFIVYNULSGCQ-UXLLHSPISA-N 2 0 286.419 2.579 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC000877743584 643519451 /nfs/dbraw/zinc/51/94/51/643519451.db2.gz WXMHGLBMVIVFLF-WMZOPIPTSA-N 2 0 281.403 2.761 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC000877744574 643523529 /nfs/dbraw/zinc/52/35/29/643523529.db2.gz VPJYBKRXFPMOGW-WBVHZDCISA-N 2 0 281.403 2.761 20 0 CFADRP CC1CCC(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000877747214 643524760 /nfs/dbraw/zinc/52/47/60/643524760.db2.gz CMLYEGXCUVXZOR-UHFFFAOYSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)(C)SCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089516272 650846051 /nfs/dbraw/zinc/84/60/51/650846051.db2.gz VKHNKDAADXXMJE-QWHCGFSZSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)C[N@H+](C[C@H]1C[C@H]1C)CC1CC[NH+](C)CC1 ZINC000877767743 643546858 /nfs/dbraw/zinc/54/68/58/643546858.db2.gz VWLUDWPJDGQJDU-GDBMZVCRSA-N 2 0 252.446 2.942 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878034693 643703463 /nfs/dbraw/zinc/70/34/63/643703463.db2.gz RHCLWFCPQVZHJY-MRXNPFEDSA-N 2 0 280.456 2.893 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC000878104746 643737064 /nfs/dbraw/zinc/73/70/64/643737064.db2.gz ORMKOALAKLKVQE-CYBMUJFWSA-N 2 0 258.475 2.792 20 0 CFADRP C(C1CC2(CCC2)C1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125900 643750019 /nfs/dbraw/zinc/75/00/19/643750019.db2.gz QMGJJSYUTHSFQX-OAHLLOKOSA-N 2 0 262.441 2.984 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878132855 643753551 /nfs/dbraw/zinc/75/35/51/643753551.db2.gz DCXYIHSKPHGYLQ-MHORFTMASA-N 2 0 292.467 2.752 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878148224 643759632 /nfs/dbraw/zinc/75/96/32/643759632.db2.gz MSIIZTHQKTZYLP-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878159886 643767811 /nfs/dbraw/zinc/76/78/11/643767811.db2.gz YQXCSXQNNGOBPI-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878159690 643767877 /nfs/dbraw/zinc/76/78/77/643767877.db2.gz RLDAUFFJDJOTEI-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878164639 643770950 /nfs/dbraw/zinc/77/09/50/643770950.db2.gz LNQZJYKWZFNVSW-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(C)(C)OC3(C)C)CC[C@@H]21 ZINC000878196426 643789020 /nfs/dbraw/zinc/78/90/20/643789020.db2.gz AQENJTLVZWIGOM-OAGGEKHMSA-N 2 0 294.483 2.996 20 0 CFADRP C[N@H+](C[C@@H]1CCCC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608212 643956122 /nfs/dbraw/zinc/95/61/22/643956122.db2.gz LMOLKXWHLGATFO-QXULXFAOSA-N 2 0 280.456 2.891 20 0 CFADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608408 643956364 /nfs/dbraw/zinc/95/63/64/643956364.db2.gz QVZLOIMBTWQDKU-DGJMWTQJSA-N 2 0 278.440 2.501 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000090720295 650880502 /nfs/dbraw/zinc/88/05/02/650880502.db2.gz OOBHPSWBKSBKQH-BBRMVZONSA-N 2 0 288.435 2.972 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000090720293 650880701 /nfs/dbraw/zinc/88/07/01/650880701.db2.gz OOBHPSWBKSBKQH-CJNGLKHVSA-N 2 0 288.435 2.972 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC000878644640 643971579 /nfs/dbraw/zinc/97/15/79/643971579.db2.gz ANLBAQNWIDADRT-UONOGXRCSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878652410 643976228 /nfs/dbraw/zinc/97/62/28/643976228.db2.gz PSCNDBVAVJQUNJ-CVEARBPZSA-N 2 0 278.440 2.506 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC000878652739 643976522 /nfs/dbraw/zinc/97/65/22/643976522.db2.gz SUNFHVFXNBZMEX-QGZVFWFLSA-N 2 0 262.441 2.984 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CC(C)(C)OC1(C)C)C2 ZINC000878661822 643980512 /nfs/dbraw/zinc/98/05/12/643980512.db2.gz HSKJXZLESCMBGW-YJBOKZPZSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CC(C)(C)OC1(C)C)C2 ZINC000878661821 643980884 /nfs/dbraw/zinc/98/08/84/643980884.db2.gz HSKJXZLESCMBGW-QAPCUYQASA-N 2 0 294.483 2.998 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CC3(CCC3)C2)CCO1 ZINC000879001086 644107488 /nfs/dbraw/zinc/10/74/88/644107488.db2.gz OXAJOAKXDJOCIG-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP CC/C=C\CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125444 644152748 /nfs/dbraw/zinc/15/27/48/644152748.db2.gz CDMMSEBOZPSFNX-WAYWQWQTSA-N 2 0 268.445 2.633 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCCCCCCO)CC2 ZINC000879248216 644186299 /nfs/dbraw/zinc/18/62/99/644186299.db2.gz OZUQMDREOKUTPS-UHFFFAOYSA-N 2 0 282.472 2.737 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC3(CC[NH+](C)CC3)CC2)cn1 ZINC000879250801 644195060 /nfs/dbraw/zinc/19/50/60/644195060.db2.gz IQXRRXIEUHZGFM-OAHLLOKOSA-N 2 0 288.439 2.654 20 0 CFADRP C[N@H+](Cc1ccc(-n2cccn2)cc1)C1CCC([NH3+])CC1 ZINC000091847324 650910611 /nfs/dbraw/zinc/91/06/11/650910611.db2.gz WYHFOFVODHTXPL-UHFFFAOYSA-N 2 0 284.407 2.574 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879571032 644330101 /nfs/dbraw/zinc/33/01/01/644330101.db2.gz LLHIYKQVSJIWBY-SJORKVTESA-N 2 0 288.435 2.790 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000879572424 644330134 /nfs/dbraw/zinc/33/01/34/644330134.db2.gz HBPNOPDKKFBZTQ-SJLPKXTDSA-N 2 0 288.435 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc43)CC[C@H]21 ZINC000879580006 644335960 /nfs/dbraw/zinc/33/59/60/644335960.db2.gz DAPGZFMEWVJMMN-LZLYRXPVSA-N 2 0 270.420 2.742 20 0 CFADRP CN(CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879581292 644340238 /nfs/dbraw/zinc/34/02/38/644340238.db2.gz XUIXDAVPBMIGGE-SJLPKXTDSA-N 2 0 287.451 2.539 20 0 CFADRP C[NH+]1CCN(C2CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC000879593276 644342914 /nfs/dbraw/zinc/34/29/14/644342914.db2.gz WZBXGHVOTFBBQI-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP C(C[NH2+]C1([C@H]2CCCCO2)CCC1)C[NH+]1CCCCC1 ZINC000879734554 644401576 /nfs/dbraw/zinc/40/15/76/644401576.db2.gz LCVYRWXXSLSIKV-MRXNPFEDSA-N 2 0 280.456 2.944 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CCC2(O)CCC2)CC1 ZINC000879951333 644469753 /nfs/dbraw/zinc/46/97/53/644469753.db2.gz KZXMJEXUARSIAM-UHFFFAOYSA-N 2 0 280.456 2.632 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002464 644493450 /nfs/dbraw/zinc/49/34/50/644493450.db2.gz KWUCBMFQAHMKKS-NWDGAFQWSA-N 2 0 264.335 2.745 20 0 CFADRP COC(=O)CC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000880038754 644510779 /nfs/dbraw/zinc/51/07/79/644510779.db2.gz NRLVIVYEJSEXQC-JKSUJKDBSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccsc2)CCN1c1cc[nH+]cc1 ZINC000880258124 644616167 /nfs/dbraw/zinc/61/61/67/644616167.db2.gz CPCPQCYCLOPEGT-CYBMUJFWSA-N 2 0 273.405 2.854 20 0 CFADRP C=C/C=C\CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259441 644617566 /nfs/dbraw/zinc/61/75/66/644617566.db2.gz SXHNZCOFDIIGAN-XVWMLYKFSA-N 2 0 257.381 2.724 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCF)CCN1c1cc[nH+]cc1 ZINC000880261430 644619039 /nfs/dbraw/zinc/61/90/39/644619039.db2.gz VVSNBXIRTIAGPB-CQSZACIVSA-N 2 0 265.376 2.732 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOc1ccccc1 ZINC000093516112 650941656 /nfs/dbraw/zinc/94/16/56/650941656.db2.gz LTXYGCOXCQMTMZ-CVEARBPZSA-N 2 0 276.424 2.966 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccoc2)CC1 ZINC000093688672 650944569 /nfs/dbraw/zinc/94/45/69/650944569.db2.gz KOOPAMUIGAHOGU-UHFFFAOYSA-N 2 0 250.386 2.833 20 0 CFADRP COC(=O)C(C)(C)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517943 644747767 /nfs/dbraw/zinc/74/77/67/644747767.db2.gz ZGELRWFVGPACTF-UHFFFAOYSA-N 2 0 298.471 2.774 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554126 644765100 /nfs/dbraw/zinc/76/51/00/644765100.db2.gz SXGUGZHVKMOVDJ-ROUUACIJSA-N 2 0 299.462 2.955 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000094339124 650956581 /nfs/dbraw/zinc/95/65/81/650956581.db2.gz VRNXLQRTZISLHB-MLGOLLRUSA-N 2 0 269.392 2.712 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[NH2+]2)[C@@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250821414 650980336 /nfs/dbraw/zinc/98/03/36/650980336.db2.gz GESZRZNBXKKFNF-TXTZMMAHSA-N 2 0 291.483 2.514 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000250986606 650982077 /nfs/dbraw/zinc/98/20/77/650982077.db2.gz KNSIAGRHSPKYIL-HZPDHXFCSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000251493448 650989301 /nfs/dbraw/zinc/98/93/01/650989301.db2.gz DEBPSIPCEAOASA-JQFCIGGWSA-N 2 0 286.419 2.899 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CCC=CO1 ZINC000252119221 650998710 /nfs/dbraw/zinc/99/87/10/650998710.db2.gz JBPJHGIUSJISBB-LSDHHAIUSA-N 2 0 252.402 2.533 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252716236 651020744 /nfs/dbraw/zinc/02/07/44/651020744.db2.gz XYXDEQAGJXBTNB-XYPHTWIQSA-N 2 0 276.399 2.973 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)N(C)C1CC1 ZINC000130961610 645602637 /nfs/dbraw/zinc/60/26/37/645602637.db2.gz QADMTRTWGUBWGQ-NWDGAFQWSA-N 2 0 258.475 2.979 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131038467 645610912 /nfs/dbraw/zinc/61/09/12/645610912.db2.gz BRNNDKIRNFOKFJ-ZDUSSCGKSA-N 2 0 258.365 2.994 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)CC[C@@H]2C)CC1 ZINC000883172498 645640140 /nfs/dbraw/zinc/64/01/40/645640140.db2.gz ISHOGRVTKQJCTE-GVDBMIGSSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000883185656 645648099 /nfs/dbraw/zinc/64/80/99/645648099.db2.gz BJSORMCNOXQRBN-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883186292 645649215 /nfs/dbraw/zinc/64/92/15/645649215.db2.gz OTRSGXGMOFINSE-SJORKVTESA-N 2 0 293.499 2.572 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883196659 645656733 /nfs/dbraw/zinc/65/67/33/645656733.db2.gz UAXRQPSUDPCTQD-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+][C@@H]1CCCSC1 ZINC000131263092 645679067 /nfs/dbraw/zinc/67/90/67/645679067.db2.gz AQJMNNSUEGEBME-CQSZACIVSA-N 2 0 258.475 2.984 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@H](C)C1 ZINC000883249380 645696565 /nfs/dbraw/zinc/69/65/65/645696565.db2.gz DOFOIBIJKJZLCE-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC(F)F)[C@H](C)C1 ZINC000883259055 645703833 /nfs/dbraw/zinc/70/38/33/645703833.db2.gz ZODUGVJVEKXNDO-VXGBXAGGSA-N 2 0 262.388 2.988 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCSC2)CC1 ZINC000131600446 645755798 /nfs/dbraw/zinc/75/57/98/645755798.db2.gz WQVBPSJVBBDIPZ-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1(C)C ZINC000883357364 645763948 /nfs/dbraw/zinc/76/39/48/645763948.db2.gz JZLNYKPBHAYMMH-KGLIPLIRSA-N 2 0 266.429 2.551 20 0 CFADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000305066336 651043965 /nfs/dbraw/zinc/04/39/65/651043965.db2.gz IYZKNCXWIGKJFK-GOSISDBHSA-N 2 0 288.435 2.717 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883415564 645808590 /nfs/dbraw/zinc/80/85/90/645808590.db2.gz YXKWPIDZLVVGAG-QGZVFWFLSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883417860 645812659 /nfs/dbraw/zinc/81/26/59/645812659.db2.gz POQZNZDDBCVSFD-SPUZQDLCSA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883427024 645820944 /nfs/dbraw/zinc/82/09/44/645820944.db2.gz GPVJNCFYRMWPLE-CGTJXYLNSA-N 2 0 288.435 2.968 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)O1 ZINC000883428723 645822677 /nfs/dbraw/zinc/82/26/77/645822677.db2.gz BGRAXZKDCCDUNF-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000883429974 645823477 /nfs/dbraw/zinc/82/34/77/645823477.db2.gz KKIXWBIMEDXBBA-YIYPIFLZSA-N 2 0 268.445 2.556 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)O1 ZINC000883430079 645824580 /nfs/dbraw/zinc/82/45/80/645824580.db2.gz MRPJDUNLQUEEAY-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000883459573 645844185 /nfs/dbraw/zinc/84/41/85/645844185.db2.gz BKAXFEPMKGXEOV-DLBZAZTESA-N 2 0 286.419 2.519 20 0 CFADRP CC(C)[C@H](C(=O)OCCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000800171212 646167298 /nfs/dbraw/zinc/16/72/98/646167298.db2.gz AKRPGTVMZUCYLH-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP Cc1coc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000885916080 646767388 /nfs/dbraw/zinc/76/73/88/646767388.db2.gz MZXMGBSZZAZKPQ-UHFFFAOYSA-N 2 0 258.365 2.939 20 0 CFADRP Fc1cccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000885921147 646768738 /nfs/dbraw/zinc/76/87/38/646768738.db2.gz UCWMLGQFNZXTDM-OMDKTOEGSA-N 2 0 274.383 2.913 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886030129 646828849 /nfs/dbraw/zinc/82/88/49/646828849.db2.gz GWQCSLSELZTVIN-BHYGNILZSA-N 2 0 280.456 2.608 20 0 CFADRP CCN1CCC([N@H+](C)CCSC(F)(F)F)CC1 ZINC000886030880 646829897 /nfs/dbraw/zinc/82/98/97/646829897.db2.gz WYAVUJBKVYQPBE-UHFFFAOYSA-N 2 0 270.364 2.656 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000886043603 646839128 /nfs/dbraw/zinc/83/91/28/646839128.db2.gz GCXLNUVHRQFQTD-UHFFFAOYSA-N 2 0 281.831 2.945 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000886138205 646890002 /nfs/dbraw/zinc/89/00/02/646890002.db2.gz DMPLMNFBQULQAN-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP Clc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nc1 ZINC000886166911 646904198 /nfs/dbraw/zinc/90/41/98/646904198.db2.gz VFHBKALPSZGZEX-UHFFFAOYSA-N 2 0 293.842 2.947 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886171453 646906229 /nfs/dbraw/zinc/90/62/29/646906229.db2.gz HJRYGNKPEVNROG-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886171864 646906534 /nfs/dbraw/zinc/90/65/34/646906534.db2.gz QIXCFCFBPUKYMJ-NVXWUHKLSA-N 2 0 291.439 2.584 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOC3CCCCC3)C2)C1 ZINC000886217945 646925306 /nfs/dbraw/zinc/92/53/06/646925306.db2.gz KXMNEENJLQQYBT-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCC3(CCC3)CO1)C2 ZINC000886220419 646926929 /nfs/dbraw/zinc/92/69/29/646926929.db2.gz HVKYGRBWHAPTJD-SJLPKXTDSA-N 2 0 292.467 2.753 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC1(C)C ZINC000886316435 646966840 /nfs/dbraw/zinc/96/68/40/646966840.db2.gz BLKBHBAZWNIWFR-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886517797 647025509 /nfs/dbraw/zinc/02/55/09/647025509.db2.gz RNEOHKSEGFPGQA-UHFFFAOYSA-N 3 0 281.488 2.715 20 0 CFADRP C[C@](O)(C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886526908 647030237 /nfs/dbraw/zinc/03/02/37/647030237.db2.gz UXKWNFBYFYHSNQ-JCYILVPMSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H](COC)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886529969 647030692 /nfs/dbraw/zinc/03/06/92/647030692.db2.gz AWDMYUINFQTTIP-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](O)C[C@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886531208 647032742 /nfs/dbraw/zinc/03/27/42/647032742.db2.gz YAQJTVXBYWJCCO-NJINODPHSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000886536877 647035549 /nfs/dbraw/zinc/03/55/49/647035549.db2.gz PXNAXLKJHYRXBD-OAGGEKHMSA-N 2 0 278.444 2.580 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000886560311 647047116 /nfs/dbraw/zinc/04/71/16/647047116.db2.gz VFLAPYLSPLKPCJ-GYXIZQIFSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cocn2)CC1 ZINC000886574052 647051830 /nfs/dbraw/zinc/05/18/30/647051830.db2.gz LOGHIFGXLJRKJM-UHFFFAOYSA-N 2 0 263.385 2.561 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2c(F)cccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925482787 647054233 /nfs/dbraw/zinc/05/42/33/647054233.db2.gz XITSKKQZIQSNSM-UHOFOFEASA-N 2 0 294.389 2.874 20 0 CFADRP C[C@@H](O)C[C@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886588105 647056606 /nfs/dbraw/zinc/05/66/06/647056606.db2.gz LGYOHQMVDVZJMB-QRNKSROTSA-N 2 0 268.445 2.533 20 0 CFADRP CC(C)[C@@H](CO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886608824 647065259 /nfs/dbraw/zinc/06/52/59/647065259.db2.gz GJKSEQAIXKKFAP-KLAILNCOSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H](C)O ZINC000886620529 647071587 /nfs/dbraw/zinc/07/15/87/647071587.db2.gz MKMNTNJZQDABTH-JWMHWRSXSA-N 2 0 268.445 2.533 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000886620871 647072345 /nfs/dbraw/zinc/07/23/45/647072345.db2.gz VOVFXCYSQBQUSJ-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000886638084 647081559 /nfs/dbraw/zinc/08/15/59/647081559.db2.gz LJXRGKDAQIHDDO-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000886643399 647084551 /nfs/dbraw/zinc/08/45/51/647084551.db2.gz TVHJGGPIOVLOTH-QLOLRVAOSA-N 2 0 292.467 2.941 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886644397 647084637 /nfs/dbraw/zinc/08/46/37/647084637.db2.gz BVWTXMHMCRNLLU-IFFWXDDJSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@H]1C[C@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886649486 647088478 /nfs/dbraw/zinc/08/84/78/647088478.db2.gz BVWTXMHMCRNLLU-WXFZTKORSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)[C@@H]2CCC[C@H]21 ZINC000886717983 647120972 /nfs/dbraw/zinc/12/09/72/647120972.db2.gz NSNWWUAKJDQRPN-FXUDXRNXSA-N 2 0 280.456 2.654 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000886719579 647121337 /nfs/dbraw/zinc/12/13/37/647121337.db2.gz AAFPJBKHWJWKJK-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP CO[C@@H](C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000886874523 647165343 /nfs/dbraw/zinc/16/53/43/647165343.db2.gz PSCHAPCUDPKDLC-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886876081 647166558 /nfs/dbraw/zinc/16/65/58/647166558.db2.gz DTZZPNRDWROMIP-IXDOHACOSA-N 2 0 262.441 2.888 20 0 CFADRP COCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(C)c(C)c1 ZINC000886880770 647166578 /nfs/dbraw/zinc/16/65/78/647166578.db2.gz CDJLPUOPXFSMLA-QGZVFWFLSA-N 2 0 290.451 2.751 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1cccs1 ZINC000887132454 647222542 /nfs/dbraw/zinc/22/25/42/647222542.db2.gz GDPQPTOQOUWSGN-AWEZNQCLSA-N 2 0 287.432 2.896 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1CC=CC1 ZINC000887134253 647223549 /nfs/dbraw/zinc/22/35/49/647223549.db2.gz GEUVZWVPMSEERK-AWEZNQCLSA-N 2 0 257.381 2.558 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925498994 647871946 /nfs/dbraw/zinc/87/19/46/647871946.db2.gz LGIFHVOHCDUIDB-JKSUJKDBSA-N 2 0 274.408 2.623 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccnnc1 ZINC000924528583 647987873 /nfs/dbraw/zinc/98/78/73/647987873.db2.gz OBFJDRCATIHTTC-KBPBESRZSA-N 2 0 264.417 2.638 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC)n1 ZINC000924529990 647988194 /nfs/dbraw/zinc/98/81/94/647988194.db2.gz YENIBMKBFPLXNZ-UONOGXRCSA-N 2 0 295.475 2.768 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000924530039 647988204 /nfs/dbraw/zinc/98/82/04/647988204.db2.gz YUILIBKGDQISBD-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCC(N[C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924568926 647996409 /nfs/dbraw/zinc/99/64/09/647996409.db2.gz FSKYOEBSPYLKHR-LLVKDONJSA-N 2 0 266.360 2.666 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924578064 647999087 /nfs/dbraw/zinc/99/90/87/647999087.db2.gz OROQPLXVIHBNRG-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc(CNC2CC[NH+](CCC(C)C)CC2)cn1 ZINC000924613679 648008680 /nfs/dbraw/zinc/00/86/80/648008680.db2.gz GAHUWQZGUNHKCK-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP CC[C@H](NCCC[N@H+](C)C(C)C)c1cccc(OC)n1 ZINC000924617132 648009563 /nfs/dbraw/zinc/00/95/63/648009563.db2.gz JEXZQHDHUSUSBP-AWEZNQCLSA-N 2 0 279.428 2.861 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924662450 648021251 /nfs/dbraw/zinc/02/12/51/648021251.db2.gz RBJTYKGIRCMXPL-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)on1 ZINC000924681028 648025709 /nfs/dbraw/zinc/02/57/09/648025709.db2.gz KNARRRJIEQWRSE-AWEZNQCLSA-N 2 0 295.427 2.846 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)cn1 ZINC000924684707 648026484 /nfs/dbraw/zinc/02/64/84/648026484.db2.gz MTHIKPHXNVGRKV-OWCLPIDISA-N 2 0 292.471 2.829 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C(C)(C)CO ZINC000924688153 648027830 /nfs/dbraw/zinc/02/78/30/648027830.db2.gz RBTWQMBFCBUXHS-HUUCEWRRSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000924696344 648029660 /nfs/dbraw/zinc/02/96/60/648029660.db2.gz OMTSRNFLSZAOIJ-ROUUACIJSA-N 2 0 293.499 2.713 20 0 CFADRP CSC1CC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000924703813 648030495 /nfs/dbraw/zinc/03/04/95/648030495.db2.gz GPEFSTGCYLKFGV-UHFFFAOYSA-N 2 0 294.464 2.611 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924714218 648033210 /nfs/dbraw/zinc/03/32/10/648033210.db2.gz WZIYJAOXTKYSRG-DOTOQJQBSA-N 2 0 282.472 2.780 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)C1CC1 ZINC000924715491 648033865 /nfs/dbraw/zinc/03/38/65/648033865.db2.gz GTUDASXINYUVAO-CGTJXYLNSA-N 2 0 287.451 2.723 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924754104 648042551 /nfs/dbraw/zinc/04/25/51/648042551.db2.gz SVTVBROOSWQAFN-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924855711 648060781 /nfs/dbraw/zinc/06/07/81/648060781.db2.gz XTPHQUWFQFTOTP-ZIAGYGMSSA-N 2 0 278.440 2.905 20 0 CFADRP C(C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)COC1CCCC1 ZINC000924865615 648062615 /nfs/dbraw/zinc/06/26/15/648062615.db2.gz HZJLUFXZYRMMPZ-SJORKVTESA-N 2 0 280.456 2.942 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000924929377 648073584 /nfs/dbraw/zinc/07/35/84/648073584.db2.gz FRLZUZBFBDFXMP-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000924955794 648078959 /nfs/dbraw/zinc/07/89/59/648078959.db2.gz QSOZJJMRVMBELG-HNNXBMFYSA-N 2 0 275.440 2.724 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924956525 648079620 /nfs/dbraw/zinc/07/96/20/648079620.db2.gz XIICZFNEFFTLAP-GFCCVEGCSA-N 2 0 280.387 2.914 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CCC1)C1CCCC1)N1CC[NH+](C)CC1 ZINC000924962803 648081107 /nfs/dbraw/zinc/08/11/07/648081107.db2.gz CCPZVMALBSVHCY-QAPCUYQASA-N 2 0 293.499 2.571 20 0 CFADRP Cc1cccc2c1[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000925008016 648087029 /nfs/dbraw/zinc/08/70/29/648087029.db2.gz AXNSIJHXWIGMMY-GDBMZVCRSA-N 2 0 258.409 2.914 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048663 648094310 /nfs/dbraw/zinc/09/43/10/648094310.db2.gz JSLLYAKNVIDTFI-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ncnn21 ZINC000925047670 648094516 /nfs/dbraw/zinc/09/45/16/648094516.db2.gz BKAWKCXESBLQEL-LSDHHAIUSA-N 2 0 291.443 2.530 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@H](O)c2ccsc2)CC1 ZINC000925110420 648107452 /nfs/dbraw/zinc/10/74/52/648107452.db2.gz NTUHRTZQAORKMP-INIZCTEOSA-N 2 0 296.480 2.882 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000925155176 648118461 /nfs/dbraw/zinc/11/84/61/648118461.db2.gz IENRFTOXENXZOE-CYBMUJFWSA-N 2 0 277.412 2.560 20 0 CFADRP CCC[C@H](CCO)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925185419 648126114 /nfs/dbraw/zinc/12/61/14/648126114.db2.gz BZMRTBTZLOSKQK-MRXNPFEDSA-N 2 0 284.488 2.885 20 0 CFADRP C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925196155 648128958 /nfs/dbraw/zinc/12/89/58/648128958.db2.gz CURJACMVAKJZMW-HOTGVXAUSA-N 3 0 289.467 2.741 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000925222033 648135619 /nfs/dbraw/zinc/13/56/19/648135619.db2.gz QIHGLCLVBXWJQJ-UGUYLWEFSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccnnc2)CC1 ZINC000925232318 648138268 /nfs/dbraw/zinc/13/82/68/648138268.db2.gz ITVPZDVDSWODHJ-OAHLLOKOSA-N 2 0 290.455 2.885 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000925250784 648142780 /nfs/dbraw/zinc/14/27/80/648142780.db2.gz VCHJSLSCVYNVTP-PBHICJAKSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1(Cl)CC1 ZINC000925436126 648168084 /nfs/dbraw/zinc/16/80/84/648168084.db2.gz DAFZHGKWWXAGPK-MJBXVCDLSA-N 2 0 288.863 2.625 20 0 CFADRP C[C@@H]1CC[C@@H](C)C1[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000925438471 648170536 /nfs/dbraw/zinc/17/05/36/648170536.db2.gz BAUKTEBIXFWPTG-KLHDSHLOSA-N 2 0 282.472 2.900 20 0 CFADRP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCCCC1 ZINC000925475169 648177971 /nfs/dbraw/zinc/17/79/71/648177971.db2.gz GDGPGAJGTMYIBG-OKZBNKHCSA-N 2 0 294.483 2.686 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCCCC1 ZINC000925475165 648178477 /nfs/dbraw/zinc/17/84/77/648178477.db2.gz GDGPGAJGTMYIBG-KZNAEPCWSA-N 2 0 294.483 2.686 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000925483248 648179820 /nfs/dbraw/zinc/17/98/20/648179820.db2.gz XVAPRKYOIHHGSX-HZPDHXFCSA-N 2 0 262.397 2.625 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925482751 648180381 /nfs/dbraw/zinc/18/03/81/648180381.db2.gz UJCLDQOGCAGDQS-CABCVRRESA-N 2 0 281.488 2.747 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925486491 648181475 /nfs/dbraw/zinc/18/14/75/648181475.db2.gz HPVRLRNGDZFUQD-SFHVURJKSA-N 3 0 289.467 2.788 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493628 648183092 /nfs/dbraw/zinc/18/30/92/648183092.db2.gz LWIMKORANXNSRL-HOTGVXAUSA-N 3 0 281.488 2.604 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925503885 648188005 /nfs/dbraw/zinc/18/80/05/648188005.db2.gz KWEHIGFBNBPKMM-HOTGVXAUSA-N 2 0 278.440 2.853 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925504365 648188029 /nfs/dbraw/zinc/18/80/29/648188029.db2.gz QCPCTRILSIBOSG-ZWKOTPCHSA-N 2 0 272.436 2.987 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925506686 648188660 /nfs/dbraw/zinc/18/86/60/648188660.db2.gz WLRQNEANAYPZOS-MGPQQGTHSA-N 2 0 256.434 2.687 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925511204 648191923 /nfs/dbraw/zinc/19/19/23/648191923.db2.gz IRRLLRYYCMJHPK-GJZGRUSLSA-N 2 0 276.449 2.947 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000925513039 648192693 /nfs/dbraw/zinc/19/26/93/648192693.db2.gz HUDCJEQYWWTWNC-CVEARBPZSA-N 2 0 279.472 2.515 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000925515704 648193840 /nfs/dbraw/zinc/19/38/40/648193840.db2.gz RKFBLQWJJBMAQV-ZPVISIIKSA-N 2 0 288.410 2.963 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925518982 648196383 /nfs/dbraw/zinc/19/63/83/648196383.db2.gz ATWKMLULWHLGRB-BMFZPTHFSA-N 2 0 258.409 2.958 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Cc1cccs1 ZINC000925519179 648196526 /nfs/dbraw/zinc/19/65/26/648196526.db2.gz SSBFFTDPAPSVBF-UBHSHLNASA-N 2 0 264.438 2.786 20 0 CFADRP C[NH+](C)C1(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC1 ZINC000925520804 648197291 /nfs/dbraw/zinc/19/72/91/648197291.db2.gz SRNFQBFOWHHPJT-SJORKVTESA-N 2 0 293.499 2.619 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925520628 648197680 /nfs/dbraw/zinc/19/76/80/648197680.db2.gz WWOFHSLEZCKJNQ-CDMOGMFXSA-N 2 0 282.431 2.693 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2OCCc3sccc32)C[C@@H]([NH3+])C1 ZINC000925520950 648197745 /nfs/dbraw/zinc/19/77/45/648197745.db2.gz BNYUOAZPOMQIBN-MBNYWOFBSA-N 2 0 294.464 2.858 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c[nH]c21 ZINC000925522629 648198351 /nfs/dbraw/zinc/19/83/51/648198351.db2.gz NZVUCMWDHZRUJE-FUUSMOTLSA-N 2 0 295.430 2.605 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925524199 648199389 /nfs/dbraw/zinc/19/93/89/648199389.db2.gz QYORTFOURKLGHP-YVECIDJPSA-N 2 0 256.459 2.766 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925525168 648199699 /nfs/dbraw/zinc/19/96/99/648199699.db2.gz ANKWUGWRSKWBCA-RBSFLKMASA-N 2 0 270.461 2.933 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925529162 648201100 /nfs/dbraw/zinc/20/11/00/648201100.db2.gz WVHSPZIERVQYHQ-HZPDHXFCSA-N 2 0 276.424 2.829 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(-n2cccn2)cc1 ZINC000925527735 648201543 /nfs/dbraw/zinc/20/15/43/648201543.db2.gz QEUAYOPUZBFUKD-JQFCIGGWSA-N 2 0 296.418 2.793 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCOCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530496 648202642 /nfs/dbraw/zinc/20/26/42/648202642.db2.gz RVGJLIKQHYLUDE-IKGGRYGDSA-N 2 0 288.435 2.569 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925530141 648202655 /nfs/dbraw/zinc/20/26/55/648202655.db2.gz JYILFGKPNJUSNO-MCIONIFRSA-N 2 0 268.470 2.925 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C[C@@H]([NH3+])C1 ZINC000925531876 648203861 /nfs/dbraw/zinc/20/38/61/648203861.db2.gz BYRJELCDHLISPL-CVEARBPZSA-N 2 0 298.434 2.868 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(F)ccc23)C12CCC2 ZINC000925534898 648204226 /nfs/dbraw/zinc/20/42/26/648204226.db2.gz RCQPUSZJPIYGHQ-HOTGVXAUSA-N 2 0 287.382 2.709 20 0 CFADRP c1ccc(COCCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925534649 648204888 /nfs/dbraw/zinc/20/48/88/648204888.db2.gz OHCHZEMBZMCDCF-KRWDZBQOSA-N 2 0 288.435 2.858 20 0 CFADRP C[C@H]([NH3+])[C@H](NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925546513 648210358 /nfs/dbraw/zinc/21/03/58/648210358.db2.gz OBPICOBEAIRTSK-OVWQWFNUSA-N 2 0 289.467 2.927 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CC[NH2+]C3(C)C)c[nH]c2c1 ZINC000925548166 648211140 /nfs/dbraw/zinc/21/11/40/648211140.db2.gz RPJROVCNXPYXEP-INIZCTEOSA-N 2 0 271.408 2.749 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000925547109 648211163 /nfs/dbraw/zinc/21/11/63/648211163.db2.gz RFSOHYGFORLNJM-WCVJEAGWSA-N 2 0 281.488 2.745 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000925548909 648211833 /nfs/dbraw/zinc/21/18/33/648211833.db2.gz VDDJQLMHKONJTL-FPCVCCKLSA-N 2 0 281.488 2.602 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925553713 648213584 /nfs/dbraw/zinc/21/35/84/648213584.db2.gz RZWWLYOJGVORKK-KRWDZBQOSA-N 3 0 293.499 2.763 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)s1 ZINC000925554763 648214285 /nfs/dbraw/zinc/21/42/85/648214285.db2.gz AUANAUOQHKZAKQ-QWHCGFSZSA-N 2 0 281.469 2.798 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925554522 648214291 /nfs/dbraw/zinc/21/42/91/648214291.db2.gz BJERWLCAOZCOME-IAGOWNOFSA-N 2 0 292.467 2.677 20 0 CFADRP COCCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925555729 648214858 /nfs/dbraw/zinc/21/48/58/648214858.db2.gz ITLWLMOBKWIEEM-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925555300 648214890 /nfs/dbraw/zinc/21/48/90/648214890.db2.gz GMJONZQDWWZELO-HNNXBMFYSA-N 2 0 280.456 2.848 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCCC1 ZINC000925560214 648216822 /nfs/dbraw/zinc/21/68/22/648216822.db2.gz ZOHKWZVNIGEYPN-OAHLLOKOSA-N 2 0 280.456 2.848 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000925561349 648217647 /nfs/dbraw/zinc/21/76/47/648217647.db2.gz ZYKXPMBEOQAHBT-FTZREXIDSA-N 2 0 282.431 2.502 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)sc1C ZINC000925562461 648218646 /nfs/dbraw/zinc/21/86/46/648218646.db2.gz WYELEOCPQXJBHV-CHWSQXEVSA-N 2 0 281.469 2.798 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925564118 648218818 /nfs/dbraw/zinc/21/88/18/648218818.db2.gz HDMPRMMZWFQWNV-IKGGRYGDSA-N 2 0 288.435 2.952 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(Cl)c1 ZINC000925571256 648222592 /nfs/dbraw/zinc/22/25/92/648222592.db2.gz BTQCWJYZRWLKMX-KFWWJZLASA-N 2 0 294.826 2.887 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925586470 648228047 /nfs/dbraw/zinc/22/80/47/648228047.db2.gz SKSWWTWKBCPPGO-GJZGRUSLSA-N 2 0 274.408 2.542 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000925587170 648228658 /nfs/dbraw/zinc/22/86/58/648228658.db2.gz GPOZMIWGBWOQHP-HRCADAONSA-N 2 0 282.472 2.615 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CO[C@H](C)C3)C1 ZINC000925587855 648229318 /nfs/dbraw/zinc/22/93/18/648229318.db2.gz KJIOZFBYNMXYIP-MRLCAUJQSA-N 2 0 294.483 2.902 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925596458 648233292 /nfs/dbraw/zinc/23/32/92/648233292.db2.gz MYKMBJQFYNHIBI-RBSFLKMASA-N 2 0 250.430 2.790 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2Cc3ccccc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925599993 648234177 /nfs/dbraw/zinc/23/41/77/648234177.db2.gz BUQOAENDFMYWJC-SQNIBIBYSA-N 2 0 284.447 2.768 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)o1 ZINC000925606231 648237639 /nfs/dbraw/zinc/23/76/39/648237639.db2.gz MIKDIFHOSZANFY-CHWSQXEVSA-N 2 0 250.386 2.626 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)cc1 ZINC000925606786 648237683 /nfs/dbraw/zinc/23/76/83/648237683.db2.gz XUVAPIIVTZNLEJ-JMXUMUKBSA-N 2 0 268.404 2.519 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925609996 648238428 /nfs/dbraw/zinc/23/84/28/648238428.db2.gz CCTHYERUPUNWBY-KGLIPLIRSA-N 2 0 270.461 2.813 20 0 CFADRP C[C@H]1NCCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000925610171 648239032 /nfs/dbraw/zinc/23/90/32/648239032.db2.gz ZEMGHEKSOCEILW-SJORKVTESA-N 2 0 281.488 2.763 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925612642 648240580 /nfs/dbraw/zinc/24/05/80/648240580.db2.gz MZOLCIPRPVLPOE-CABCVRRESA-N 2 0 291.439 2.864 20 0 CFADRP Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617430 648240918 /nfs/dbraw/zinc/24/09/18/648240918.db2.gz QPTVQXXYBAMFRS-IAGOWNOFSA-N 2 0 288.435 2.693 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925617897 648241049 /nfs/dbraw/zinc/24/10/49/648241049.db2.gz XODKZQBZOVJGES-SYQHCUMBSA-N 2 0 280.412 2.587 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CCCO)c1ccccc1 ZINC000925621476 648244159 /nfs/dbraw/zinc/24/41/59/648244159.db2.gz DPOXWFBVKYAZLE-IKKRTKPYSA-N 2 0 288.435 2.606 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925623243 648244816 /nfs/dbraw/zinc/24/48/16/648244816.db2.gz RQQJPCFIERVHTR-INIZCTEOSA-N 2 0 278.440 2.855 20 0 CFADRP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccc2n1 ZINC000925622375 648245176 /nfs/dbraw/zinc/24/51/76/648245176.db2.gz KULYZPUYJFGASM-JKSUJKDBSA-N 2 0 297.402 2.603 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925627128 648246299 /nfs/dbraw/zinc/24/62/99/648246299.db2.gz WRDNBAVRZUAUAI-HOTGVXAUSA-N 2 0 282.472 2.543 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925629995 648248874 /nfs/dbraw/zinc/24/88/74/648248874.db2.gz PAMAPFCZVIEGQO-IAOVAPTHSA-N 2 0 288.435 2.733 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925629997 648249047 /nfs/dbraw/zinc/24/90/47/648249047.db2.gz PAMAPFCZVIEGQO-RRQGHBQHSA-N 2 0 288.435 2.733 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000925630600 648249596 /nfs/dbraw/zinc/24/95/96/648249596.db2.gz PVSGEOJLBLMYCG-BBRMVZONSA-N 2 0 258.409 2.522 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCO1 ZINC000925631469 648251414 /nfs/dbraw/zinc/25/14/14/648251414.db2.gz ZLDBORQXIWPCTF-BLAYQBSLSA-N 2 0 292.467 2.556 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@@H]([NH3+])C1 ZINC000925634053 648252552 /nfs/dbraw/zinc/25/25/52/648252552.db2.gz KSLBPGBUHSEGOB-YIDVYQOGSA-N 2 0 292.467 2.830 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925634804 648253609 /nfs/dbraw/zinc/25/36/09/648253609.db2.gz PTEHJLSYAPMLPL-HZPDHXFCSA-N 2 0 273.424 2.738 20 0 CFADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925639285 648255500 /nfs/dbraw/zinc/25/55/00/648255500.db2.gz KOEUSWIOBKSESE-DTIMJLODSA-N 2 0 296.414 2.870 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925639092 648255614 /nfs/dbraw/zinc/25/56/14/648255614.db2.gz JTDPPSUSKAPEEB-KXUCPTDWSA-N 2 0 252.324 2.823 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[C@@H]2CCCCO2)C1 ZINC000925640162 648257500 /nfs/dbraw/zinc/25/75/00/648257500.db2.gz QOVVESMHTKIZLL-KFWWJZLASA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000925643554 648258206 /nfs/dbraw/zinc/25/82/06/648258206.db2.gz WRANSTZEEUNCQN-QMCVQRASSA-N 2 0 287.451 2.537 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)n1 ZINC000925648194 648260019 /nfs/dbraw/zinc/26/00/19/648260019.db2.gz QLZZMIWGIVJQEH-RUZUBIRVSA-N 2 0 293.480 2.921 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925648790 648260571 /nfs/dbraw/zinc/26/05/71/648260571.db2.gz GDIQDTZHWCJNNP-MTERUZRBSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925651238 648261027 /nfs/dbraw/zinc/26/10/27/648261027.db2.gz YUWZGLMWSKQUNF-VWYCJHECSA-N 2 0 264.335 2.967 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925650416 648261199 /nfs/dbraw/zinc/26/11/99/648261199.db2.gz UVZPVACRJWJJNI-HZPDHXFCSA-N 2 0 282.472 2.686 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925652843 648262811 /nfs/dbraw/zinc/26/28/11/648262811.db2.gz BAMXVHJDHZWBFV-CVEARBPZSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925659034 648266133 /nfs/dbraw/zinc/26/61/33/648266133.db2.gz SIRHUCVLZKPWEA-BFYDXBDKSA-N 2 0 282.472 2.813 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000925657291 648266578 /nfs/dbraw/zinc/26/65/78/648266578.db2.gz SCWFBNSJOOINML-AFLMIKJESA-N 2 0 280.456 2.510 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C12CCC2 ZINC000925663450 648269754 /nfs/dbraw/zinc/26/97/54/648269754.db2.gz SNZANAUCKUEDNU-QJPTWQEYSA-N 2 0 258.356 2.671 20 0 CFADRP CCN(CC)[C@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925663608 648269799 /nfs/dbraw/zinc/26/97/99/648269799.db2.gz VBKPQGOOLRKTOQ-WBVHZDCISA-N 2 0 277.456 2.787 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925669784 648271595 /nfs/dbraw/zinc/27/15/95/648271595.db2.gz XRFCDFFUYOGNDT-CHWSQXEVSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925669333 648271690 /nfs/dbraw/zinc/27/16/90/648271690.db2.gz AQCAERPCKRKOCO-OIISXLGYSA-N 2 0 276.424 2.729 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2COc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925669796 648272388 /nfs/dbraw/zinc/27/23/88/648272388.db2.gz XYYFICJSZPPINT-JSQNDZKTSA-N 2 0 286.419 2.529 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925671731 648273390 /nfs/dbraw/zinc/27/33/90/648273390.db2.gz FGRPBDOITSGXST-UONOGXRCSA-N 2 0 270.461 2.935 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925676645 648275534 /nfs/dbraw/zinc/27/55/34/648275534.db2.gz OMFGKADKBTXYKM-CGTJXYLNSA-N 2 0 295.515 2.865 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C12CCC2 ZINC000925676714 648275701 /nfs/dbraw/zinc/27/57/01/648275701.db2.gz KUJGSZKRRDQDIS-DGCLKSJQSA-N 2 0 299.340 2.502 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000925678761 648276720 /nfs/dbraw/zinc/27/67/20/648276720.db2.gz GERCUJPJWRNZGO-GJZGRUSLSA-N 2 0 268.445 2.689 20 0 CFADRP CC(F)(F)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925680985 648277507 /nfs/dbraw/zinc/27/75/07/648277507.db2.gz SBVFSYWBWWIZRB-OLZOCXBDSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C[C@@H]([NH3+])C1 ZINC000925684123 648278266 /nfs/dbraw/zinc/27/82/66/648278266.db2.gz ZZNFUGSEVYYZCS-UTUOFQBUSA-N 2 0 260.372 2.917 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000925684121 648278354 /nfs/dbraw/zinc/27/83/54/648278354.db2.gz ZZNFUGSEVYYZCS-QJPTWQEYSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CC1(CF)CCOCC1)c1ccccc1 ZINC000925683389 648278602 /nfs/dbraw/zinc/27/86/02/648278602.db2.gz PSTKSSKLIGXSPV-INIZCTEOSA-N 2 0 294.414 2.823 20 0 CFADRP FC1(F)CC(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925685212 648279369 /nfs/dbraw/zinc/27/93/69/648279369.db2.gz KXAMFIDHINOUAU-GFCCVEGCSA-N 2 0 258.356 2.686 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925688695 648281144 /nfs/dbraw/zinc/28/11/44/648281144.db2.gz GYPNRIVCCNJZMH-GJZGRUSLSA-N 2 0 262.372 2.536 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)ccc12 ZINC000925693991 648283190 /nfs/dbraw/zinc/28/31/90/648283190.db2.gz OCGMDPUQACVITO-ZWKOTPCHSA-N 3 0 298.434 2.592 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925696094 648283709 /nfs/dbraw/zinc/28/37/09/648283709.db2.gz YXGWBDRNYMZJNN-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925702715 648286070 /nfs/dbraw/zinc/28/60/70/648286070.db2.gz ATQJINVVGISQMY-HZSPNIEDSA-N 2 0 282.497 2.886 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000925701067 648286138 /nfs/dbraw/zinc/28/61/38/648286138.db2.gz VFBJEYWQNMELLP-UWWQBHOKSA-N 2 0 286.419 2.585 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925704116 648287090 /nfs/dbraw/zinc/28/70/90/648287090.db2.gz HXQIFSIGRDKIPL-WMLDXEAASA-N 2 0 276.424 2.968 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925704114 648287641 /nfs/dbraw/zinc/28/76/41/648287641.db2.gz HXQIFSIGRDKIPL-PBHICJAKSA-N 2 0 276.424 2.968 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)C1 ZINC000925704781 648287714 /nfs/dbraw/zinc/28/77/14/648287714.db2.gz FEXYQPOZVODWOJ-KFWWJZLASA-N 2 0 292.398 2.625 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCC3(CC3(F)F)CC2)C12CCC2 ZINC000925707004 648288544 /nfs/dbraw/zinc/28/85/44/648288544.db2.gz MKJRAXASQZEHHP-CMOBGSAGSA-N 2 0 270.367 2.814 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C)[NH2+]2 ZINC000925710495 648290171 /nfs/dbraw/zinc/29/01/71/648290171.db2.gz LDQKZTBCINSLMW-CTTWBBHYSA-N 2 0 250.430 2.930 20 0 CFADRP FC1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925709384 648290869 /nfs/dbraw/zinc/29/08/69/648290869.db2.gz IWDTXNKMZJDYMY-JXQTWKCFSA-N 2 0 254.393 2.779 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)C12CCC2 ZINC000925713936 648292382 /nfs/dbraw/zinc/29/23/82/648292382.db2.gz YQTRAOXYLLSATE-KURKYZTESA-N 2 0 296.414 2.733 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2([C@H](O)C(C)C)CC2)CC1 ZINC000925713223 648292898 /nfs/dbraw/zinc/29/28/98/648292898.db2.gz WWPBQUROKSNFES-QGZVFWFLSA-N 2 0 296.499 2.884 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000925715822 648294895 /nfs/dbraw/zinc/29/48/95/648294895.db2.gz HXJXOOADIHANEH-IAGOWNOFSA-N 3 0 293.499 2.604 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2cccc3c2CCOC3)C[C@@H]([NH3+])C1 ZINC000925721551 648297243 /nfs/dbraw/zinc/29/72/43/648297243.db2.gz DYFITAJTZRCTOF-CVEARBPZSA-N 2 0 288.435 2.755 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)C12CCC2 ZINC000925723047 648297646 /nfs/dbraw/zinc/29/76/46/648297646.db2.gz QNGFJNLVQXKPSD-RBSFLKMASA-N 2 0 278.440 2.585 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)OC1 ZINC000925730951 648301230 /nfs/dbraw/zinc/30/12/30/648301230.db2.gz IMCDRQDWGPDGAL-HZSPNIEDSA-N 2 0 268.445 2.687 20 0 CFADRP CCSc1ccc(C[NH2+][C@H](CCC[NH3+])COC)cc1 ZINC000925733491 648302358 /nfs/dbraw/zinc/30/23/58/648302358.db2.gz VWYHUQGNWPZUEZ-CQSZACIVSA-N 2 0 282.453 2.642 20 0 CFADRP c1ccc(NC2CC(N[C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925733194 648302409 /nfs/dbraw/zinc/30/24/09/648302409.db2.gz TYAQAUQUFGIPSE-JCYILVPMSA-N 2 0 285.435 2.894 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925737789 648304011 /nfs/dbraw/zinc/30/40/11/648304011.db2.gz LGLJUPRFHCHGQI-CQSZACIVSA-N 2 0 262.397 2.790 20 0 CFADRP FC1(F)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000925738562 648304040 /nfs/dbraw/zinc/30/40/40/648304040.db2.gz YXZQGRKMHZZGPI-IGQOVBAYSA-N 2 0 272.383 2.790 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738348 648304159 /nfs/dbraw/zinc/30/41/59/648304159.db2.gz QKSYZZZYULIGDO-KBPBESRZSA-N 2 0 284.444 2.606 20 0 CFADRP CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C(=O)OC)cc1 ZINC000925737130 648304202 /nfs/dbraw/zinc/30/42/02/648304202.db2.gz GCWCLWXKHZPVLF-CQSZACIVSA-N 2 0 278.396 2.641 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000925736715 648304777 /nfs/dbraw/zinc/30/47/77/648304777.db2.gz NSNQIDUYXQBIIU-XQQFMLRXSA-N 2 0 260.372 2.919 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC(C)(C)[NH3+])CCS2 ZINC000925739115 648304854 /nfs/dbraw/zinc/30/48/54/648304854.db2.gz STDYJUYGGNNVMS-CYBMUJFWSA-N 2 0 280.437 2.949 20 0 CFADRP Cc1cccc(C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)c1 ZINC000925781502 648321541 /nfs/dbraw/zinc/32/15/41/648321541.db2.gz FNFHDNSLXFKOMG-XOKHGSTOSA-N 2 0 258.409 2.514 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925788711 648324111 /nfs/dbraw/zinc/32/41/11/648324111.db2.gz BMZVBABIOMQXAR-MCIONIFRSA-N 2 0 262.397 2.510 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000925792853 648326035 /nfs/dbraw/zinc/32/60/35/648326035.db2.gz WMDNHQIDHUTWDW-SCVCMEIPSA-N 2 0 270.779 2.985 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(F)c1 ZINC000925797984 648326410 /nfs/dbraw/zinc/32/64/10/648326410.db2.gz JDCYSTFHQJFTEH-IJLUTSLNSA-N 2 0 268.351 2.861 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799926 648327599 /nfs/dbraw/zinc/32/75/99/648327599.db2.gz PNVGOEWAGOITHV-UNEWFSDZSA-N 2 0 258.409 2.818 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807051 648330017 /nfs/dbraw/zinc/33/00/17/648330017.db2.gz HVEHCXZQGNFKGQ-NVXWUHKLSA-N 3 0 281.488 2.524 20 0 CFADRP c1[nH]nc2c1[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)CCC2 ZINC000925807448 648330131 /nfs/dbraw/zinc/33/01/31/648330131.db2.gz JSJVSUAWPYJZJG-INIZCTEOSA-N 2 0 290.455 2.937 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000925815205 648331775 /nfs/dbraw/zinc/33/17/75/648331775.db2.gz UQAFBUZIOHPBRX-RHSMWYFYSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(F)cc1Cl ZINC000925812222 648332043 /nfs/dbraw/zinc/33/20/43/648332043.db2.gz VUKIQBIAZZYIAQ-NSHDSACASA-N 2 0 299.821 2.553 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925824764 648334347 /nfs/dbraw/zinc/33/43/47/648334347.db2.gz VMRFIEDADHIPOA-AMRDXCSMSA-N 2 0 298.430 2.876 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1C ZINC000925831147 648336230 /nfs/dbraw/zinc/33/62/30/648336230.db2.gz SMHNWBYDYALBRJ-GUTXKFCHSA-N 2 0 262.397 2.652 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2nc3c(s2)CCC3)C1 ZINC000925829314 648336242 /nfs/dbraw/zinc/33/62/42/648336242.db2.gz CALTUOMKCMVZFI-NWDGAFQWSA-N 2 0 293.480 2.670 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2nc3c(s2)CCC3)c2ccccc21 ZINC000925829128 648336327 /nfs/dbraw/zinc/33/63/27/648336327.db2.gz BRPKNYDCHWFXIM-HIFRSBDPSA-N 2 0 299.443 2.909 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])ccc2O1 ZINC000925831723 648337510 /nfs/dbraw/zinc/33/75/10/648337510.db2.gz LBZBINUDDSWWOI-IVMMDQJWSA-N 2 0 274.408 2.617 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925832475 648337523 /nfs/dbraw/zinc/33/75/23/648337523.db2.gz WRUULMRFRIJILR-QNWHQSFQSA-N 2 0 294.361 2.594 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccnc(Cl)c1 ZINC000925843455 648342346 /nfs/dbraw/zinc/34/23/46/648342346.db2.gz NYYPOHQJBZLURT-NJZAAPMLSA-N 2 0 279.815 2.918 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844989 648343245 /nfs/dbraw/zinc/34/32/45/648343245.db2.gz VZEDGIFKFKSYSD-BRWVUGGUSA-N 2 0 274.383 2.935 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)C1(C)C ZINC000925846592 648343487 /nfs/dbraw/zinc/34/34/87/648343487.db2.gz QWUPACWYNNDWQE-KCYZZUKISA-N 2 0 280.456 2.700 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925862090 648348273 /nfs/dbraw/zinc/34/82/73/648348273.db2.gz XVQDNQFUDALYND-IHRRRGAJSA-N 2 0 268.470 2.912 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCc3cccnc32)C[C@@H]([NH3+])C1 ZINC000925872122 648350685 /nfs/dbraw/zinc/35/06/85/648350685.db2.gz PWOAWOBZGWPFOB-ILXRZTDVSA-N 2 0 273.424 2.955 20 0 CFADRP Cc1ccc(NCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)nc1 ZINC000925877839 648353116 /nfs/dbraw/zinc/35/31/16/648353116.db2.gz MMUOAZZCIRVMGS-CVEARBPZSA-N 2 0 282.391 2.536 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(-c2ccccc2)nn1C ZINC000925879899 648353635 /nfs/dbraw/zinc/35/36/35/648353635.db2.gz LLRJWXPCTXWDER-LZWOXQAQSA-N 2 0 298.434 2.865 20 0 CFADRP CCn1ccnc1[C@@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882548 648354494 /nfs/dbraw/zinc/35/44/94/648354494.db2.gz QERTUNXMRTWDLC-KYJSFNMBSA-N 2 0 298.434 2.613 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cnn1C(C)(C)C ZINC000925881740 648354726 /nfs/dbraw/zinc/35/47/26/648354726.db2.gz FLBAWIZRIJLBTM-YUTCNCBUSA-N 2 0 278.444 2.725 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C2CC2)c1 ZINC000925882326 648354790 /nfs/dbraw/zinc/35/47/90/648354790.db2.gz KPKTTXXADDUTKO-UWWQBHOKSA-N 2 0 288.435 2.733 20 0 CFADRP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c2nccn21 ZINC000925883122 648354802 /nfs/dbraw/zinc/35/48/02/648354802.db2.gz WAAZYCYFNHLQSF-KMANFZQXSA-N 2 0 296.418 2.538 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(CC)CC ZINC000925883900 648355659 /nfs/dbraw/zinc/35/56/59/648355659.db2.gz YSQYPQPAMJWTPV-LXTVHRRPSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926114597 648408187 /nfs/dbraw/zinc/40/81/87/648408187.db2.gz PHDAQYKKSSRPGA-ZDUSSCGKSA-N 2 0 277.412 2.682 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118661 648409119 /nfs/dbraw/zinc/40/91/19/648409119.db2.gz APALRBKMZTWKGX-LBKYZSNHSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926230172 648442549 /nfs/dbraw/zinc/44/25/49/648442549.db2.gz ZBGMQEXVSVMNRL-AWEZNQCLSA-N 2 0 276.424 2.561 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000926253446 648447188 /nfs/dbraw/zinc/44/71/88/648447188.db2.gz DQRGYTVFTHBPCZ-UHFFFAOYSA-N 2 0 282.350 2.623 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CCCO1 ZINC000926288168 648456460 /nfs/dbraw/zinc/45/64/60/648456460.db2.gz RBJULUPHKYEGES-WZYMTQMTSA-N 2 0 298.496 2.504 20 0 CFADRP CSC1(C[NH2+]C2[C@@H](C)CC[C@@H]2C)CC[NH+](C)CC1 ZINC000926449944 648492040 /nfs/dbraw/zinc/49/20/40/648492040.db2.gz YKJPERWAVRGHCE-STQMWFEESA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000926450618 648492157 /nfs/dbraw/zinc/49/21/57/648492157.db2.gz PKQNCQAQPIHWLZ-MRXNPFEDSA-N 2 0 283.504 2.815 20 0 CFADRP CSC1(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)CC[NH+](C)CC1 ZINC000926449945 648492306 /nfs/dbraw/zinc/49/23/06/648492306.db2.gz YKJPERWAVRGHCE-WDNDVIMCSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC000926487408 648505468 /nfs/dbraw/zinc/50/54/68/648505468.db2.gz NVFLYEXUDXYJPT-CQSZACIVSA-N 2 0 277.412 2.704 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000926514786 648515801 /nfs/dbraw/zinc/51/58/01/648515801.db2.gz SXNRIGCDTHUJQZ-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCCC[C@@H]1CCCO)C1CC1 ZINC000926560973 648533975 /nfs/dbraw/zinc/53/39/75/648533975.db2.gz VHGKJBJGZZJULN-NVXWUHKLSA-N 2 0 282.472 2.782 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H](C1CC1)C1CCOCC1)C1CC1 ZINC000926561028 648534000 /nfs/dbraw/zinc/53/40/00/648534000.db2.gz WOCWFYNOUAFHSB-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OC)n1 ZINC000926572922 648537945 /nfs/dbraw/zinc/53/79/45/648537945.db2.gz IMUZDXYSTBEQNM-HUUCEWRRSA-N 2 0 291.439 2.863 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCOC23CCCCC3)C1 ZINC000926575050 648538837 /nfs/dbraw/zinc/53/88/37/648538837.db2.gz XBJWYMSKTMSDGL-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926606538 648550678 /nfs/dbraw/zinc/55/06/78/648550678.db2.gz NDIFSRBWDAHGGZ-FJBKBRRZSA-N 2 0 268.445 2.510 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000926665829 648566838 /nfs/dbraw/zinc/56/68/38/648566838.db2.gz NBSDMVSCJUYGBA-LMSBXDPUSA-N 2 0 287.451 2.723 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1CC1CCC1 ZINC000926665669 648566874 /nfs/dbraw/zinc/56/68/74/648566874.db2.gz JXZGCXOLWLQRKJ-BMFZPTHFSA-N 2 0 290.455 2.674 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C2CCC2)c1 ZINC000926665568 648567088 /nfs/dbraw/zinc/56/70/88/648567088.db2.gz HZVZIMOFMZMWCY-HEHGZKQESA-N 2 0 276.428 2.599 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1C1CCC1 ZINC000926667362 648568144 /nfs/dbraw/zinc/56/81/44/648568144.db2.gz ZEVISXZGTFAVAB-KCQAQPDRSA-N 2 0 276.428 2.599 20 0 CFADRP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](CCC(C)C)CC2)C1 ZINC000926716100 648588422 /nfs/dbraw/zinc/58/84/22/648588422.db2.gz RPIUQZZLSXKNIG-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP CCn1nccc1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926739790 648597545 /nfs/dbraw/zinc/59/75/45/648597545.db2.gz ZDRQZSXEFNDKBT-CQSZACIVSA-N 2 0 286.423 2.815 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000926744706 648599735 /nfs/dbraw/zinc/59/97/35/648599735.db2.gz JWQBATFRZPURFM-BBRMVZONSA-N 2 0 289.423 2.845 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000926754176 648602333 /nfs/dbraw/zinc/60/23/33/648602333.db2.gz MPIJRIQLVVAOGK-BZUAXINKSA-N 2 0 270.461 2.638 20 0 CFADRP CCC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926779347 648612585 /nfs/dbraw/zinc/61/25/85/648612585.db2.gz WMXYIDBALYLHFR-PBHICJAKSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc[nH]c(=O)c1 ZINC000926795345 648618611 /nfs/dbraw/zinc/61/86/11/648618611.db2.gz GZEXKJIZGORKRX-YGONEPDPSA-N 2 0 277.412 2.701 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cc[nH]c(=O)c1 ZINC000926795344 648619041 /nfs/dbraw/zinc/61/90/41/648619041.db2.gz GZEXKJIZGORKRX-XEBKBJJBSA-N 2 0 277.412 2.701 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ncco1 ZINC000926796799 648620047 /nfs/dbraw/zinc/62/00/47/648620047.db2.gz MWIBZVIHXZTKDA-LKSINWNRSA-N 2 0 251.374 2.588 20 0 CFADRP COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926850571 648634652 /nfs/dbraw/zinc/63/46/52/648634652.db2.gz CFFZBLIYIRCKFF-UNEWFSDZSA-N 2 0 276.424 2.824 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000926889520 648647016 /nfs/dbraw/zinc/64/70/16/648647016.db2.gz XYCKUGGEBMFJNH-SJORKVTESA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2nc3c(s2)CCC3)CC1 ZINC000926939802 648664849 /nfs/dbraw/zinc/66/48/49/648664849.db2.gz YPLDCXGJZGEZTB-UHFFFAOYSA-N 2 0 293.480 2.637 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCS1 ZINC000927029914 648688957 /nfs/dbraw/zinc/68/89/57/648688957.db2.gz QXLOKBSJGYHOLD-KJWHEZOQSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H](CCn1cccn1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037676 648689538 /nfs/dbraw/zinc/68/95/38/648689538.db2.gz KAOJPCBCSDKGKG-KLAILNCOSA-N 2 0 290.455 2.658 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCCO1 ZINC000927040611 648690431 /nfs/dbraw/zinc/69/04/31/648690431.db2.gz ZEJTZXJPZOGWNR-SOEBMCCKSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH2+]C[C@@H](O)c1cccc(-c2ccc(C[NH+](C)C)s2)c1 ZINC000928996217 648972062 /nfs/dbraw/zinc/97/20/62/648972062.db2.gz OSIPKFSELSCMSU-OAHLLOKOSA-N 2 0 290.432 2.730 20 0 CFADRP COC[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC000929289333 649024039 /nfs/dbraw/zinc/02/40/39/649024039.db2.gz VZBJHYBWDSWHSB-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@@H](C)[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929507257 649062601 /nfs/dbraw/zinc/06/26/01/649062601.db2.gz SQWKRUMWRGMRHD-GDBMZVCRSA-N 2 0 298.471 2.626 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000929656415 649087650 /nfs/dbraw/zinc/08/76/50/649087650.db2.gz DCPYEQLKSMSHDE-OFLPRAFFSA-N 2 0 294.483 2.591 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](COC)C(C)C)C1 ZINC000929747466 649109936 /nfs/dbraw/zinc/10/99/36/649109936.db2.gz CZXAFYZGHVWHFG-JKSUJKDBSA-N 2 0 270.461 2.569 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000929763180 649115420 /nfs/dbraw/zinc/11/54/20/649115420.db2.gz LKFAIPVOOMOFBG-JONQDZQNSA-N 2 0 298.421 2.941 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](COC)C(C)C)C1 ZINC000929778472 649119130 /nfs/dbraw/zinc/11/91/30/649119130.db2.gz JWNXHZQLWUSRDI-JKSUJKDBSA-N 2 0 270.461 2.569 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2ccns2)cc1 ZINC000930117278 649187957 /nfs/dbraw/zinc/18/79/57/649187957.db2.gz ILNVGCQMYSCJIN-UHFFFAOYSA-N 2 0 289.448 2.879 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCCc3cccnc3)C2)CC1 ZINC000930310655 649227421 /nfs/dbraw/zinc/22/74/21/649227421.db2.gz LIAZQJUTCRNLBZ-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000930576776 649278111 /nfs/dbraw/zinc/27/81/11/649278111.db2.gz NKRWMCLLSHJIIK-GOSISDBHSA-N 2 0 288.435 2.921 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000930588913 649281615 /nfs/dbraw/zinc/28/16/15/649281615.db2.gz WYQFIERCALWUOM-VPEURPPWSA-N 2 0 280.456 2.606 20 0 CFADRP Cc1ccc2ncc(CN3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc2c1 ZINC000931280880 649400983 /nfs/dbraw/zinc/40/09/83/649400983.db2.gz MFTHZHPDTREZKJ-VQFNDLOPSA-N 2 0 281.403 2.535 20 0 CFADRP Cc1ccc(CC[N@H+]2C[C@@]3(C)CN(C)C[C@@]3(C)C2)cc1 ZINC000931312275 649405143 /nfs/dbraw/zinc/40/51/43/649405143.db2.gz RZAIRHAQEBPWDX-HDICACEKSA-N 2 0 272.436 2.811 20 0 CFADRP CCc1ccc(CC[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931437115 649427558 /nfs/dbraw/zinc/42/75/58/649427558.db2.gz AHDHFTBLGILZQH-ZWKOTPCHSA-N 2 0 272.436 2.675 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CCCCC3)C[C@@H]2C1 ZINC000931439885 649427857 /nfs/dbraw/zinc/42/78/57/649427857.db2.gz PBOGVWLAGPZSGI-CVEARBPZSA-N 2 0 250.430 2.840 20 0 CFADRP COc1ccc([C@@H](C)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931441910 649428578 /nfs/dbraw/zinc/42/85/78/649428578.db2.gz QNJONRYIVZOVDS-BHYGNILZSA-N 2 0 288.435 2.682 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484515 649439409 /nfs/dbraw/zinc/43/94/09/649439409.db2.gz VCOXESVWGYTOAN-ZDUSSCGKSA-N 2 0 296.842 2.790 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCC3)CC2)C[C@H](C)O1 ZINC000931699330 649474457 /nfs/dbraw/zinc/47/44/57/649474457.db2.gz BZQSLJJAPOFJLA-ZSHCYNCHSA-N 2 0 280.456 2.750 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931912929 649508486 /nfs/dbraw/zinc/50/84/86/649508486.db2.gz CBMRHPFCARUTPS-RYUDHWBXSA-N 2 0 294.336 2.837 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1COC(C)(C)C ZINC000932167522 649556879 /nfs/dbraw/zinc/55/68/79/649556879.db2.gz WQHCXEYBGQFTKL-HUUCEWRRSA-N 2 0 268.445 2.750 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000932491549 649609658 /nfs/dbraw/zinc/60/96/58/649609658.db2.gz KNGYJPUGRMCLCV-YJBOKZPZSA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccc([C@@H](C)C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000933734066 649718725 /nfs/dbraw/zinc/71/87/25/649718725.db2.gz OCVKNKXXPTYEGA-QILLFSRXSA-N 2 0 288.435 2.682 20 0 CFADRP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933739550 649718828 /nfs/dbraw/zinc/71/88/28/649718828.db2.gz XWZRAPKXSUCAPJ-YQQAZPJKSA-N 2 0 258.409 2.940 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933917265 649731869 /nfs/dbraw/zinc/73/18/69/649731869.db2.gz IIHZMLOCTPAXLI-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP Cc1[nH+]c(N2CC3(C2)CC[N@H+](CC2CC2)C3)cc2[nH]ccc21 ZINC001164770151 721295260 /nfs/dbraw/zinc/29/52/60/721295260.db2.gz PMHUOHLEXWOYMT-UHFFFAOYSA-N 2 0 296.418 2.793 20 0 CFADRP c1cc2c(cc[nH+]c2N2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000647855225 721853197 /nfs/dbraw/zinc/85/31/97/721853197.db2.gz YHHCDQXNHNYMPJ-UHFFFAOYSA-N 2 0 270.380 2.628 20 0 CFADRP Cc1c[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)cc1N ZINC001165047427 721974585 /nfs/dbraw/zinc/97/45/85/721974585.db2.gz GXMYTGXEUGXBGM-HNNXBMFYSA-N 2 0 288.439 2.817 20 0 CFADRP Cc1cc(C)[nH+]c(NC[C@]2(F)CCCC[NH2+]C2)c1 ZINC001155116356 782220947 /nfs/dbraw/zinc/22/09/47/782220947.db2.gz YKQSUELMCMWSMT-AWEZNQCLSA-N 2 0 251.349 2.592 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723689935 770649237 /nfs/dbraw/zinc/64/92/37/770649237.db2.gz KDOWUOFXTQNIBC-IUODEOHRSA-N 2 0 250.361 2.948 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000723845703 770681659 /nfs/dbraw/zinc/68/16/59/770681659.db2.gz KRVMMULJWIUURI-YUELXQCFSA-N 2 0 261.413 2.504 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235949109 778622806 /nfs/dbraw/zinc/62/28/06/778622806.db2.gz XWYCLISODWNEHF-KBPBESRZSA-N 2 0 258.409 2.810 20 0 CFADRP [NH3+]C12CC(CC[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)(C1)C2 ZINC001236372639 778795648 /nfs/dbraw/zinc/79/56/48/778795648.db2.gz RLWDHWSQGOFNLT-FAEJEUNOSA-N 3 0 291.483 2.502 20 0 CFADRP Cc1cc2ncccc2cc1NC(=[NH2+])SCC[NH3+] ZINC001167912532 769830304 /nfs/dbraw/zinc/83/03/04/769830304.db2.gz PMMSRXUIUGNUOE-UHFFFAOYSA-N 2 0 260.366 2.582 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C)c1C ZINC001206767647 769867397 /nfs/dbraw/zinc/86/73/97/769867397.db2.gz DAOSQTJKGFWAQD-SWLSCSKDSA-N 2 0 276.424 2.871 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OC)c1C ZINC001206772175 769900338 /nfs/dbraw/zinc/90/03/38/769900338.db2.gz YZTVRMQPJZRIEO-JSGCOSHPSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(F)(F)F ZINC001208906416 769961005 /nfs/dbraw/zinc/96/10/05/769961005.db2.gz WFZPQNJMVLKHRM-NSHDSACASA-N 2 0 264.335 2.603 20 0 CFADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@@H]1C[C@@H]1C ZINC001209422226 770073086 /nfs/dbraw/zinc/07/30/86/770073086.db2.gz UEIXVSIDIKHKEO-IRXDYDNUSA-N 2 0 283.504 2.628 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC001210473221 770292448 /nfs/dbraw/zinc/29/24/48/770292448.db2.gz BUIONMBPMLTGCK-MRXNPFEDSA-N 2 0 298.471 2.964 20 0 CFADRP COC[C@@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C(C)C ZINC000721916870 770446049 /nfs/dbraw/zinc/44/60/49/770446049.db2.gz GNNKBXASLLBAJG-BZUAXINKSA-N 2 0 270.461 2.744 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723632297 770627635 /nfs/dbraw/zinc/62/76/35/770627635.db2.gz BEQSXYPTVNNMDH-KLHDSHLOSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000723690376 770649634 /nfs/dbraw/zinc/64/96/34/770649634.db2.gz QMFLVEMMBFUBAL-LBPRGKRZSA-N 2 0 273.355 2.545 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)[C@@H]1CCC[NH3+] ZINC000693478496 770702618 /nfs/dbraw/zinc/70/26/18/770702618.db2.gz VVUDUFBEXOKRAG-HYVNUMGLSA-N 2 0 282.472 2.767 20 0 CFADRP C[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723884276 770707094 /nfs/dbraw/zinc/70/70/94/770707094.db2.gz SRXWJGRGWMPHOU-LZLYRXPVSA-N 2 0 290.451 2.756 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1CC[NH3+] ZINC000723888072 770707112 /nfs/dbraw/zinc/70/71/12/770707112.db2.gz HCXSYNNIUAZZKE-ZYHUDNBSSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1CC[NH3+] ZINC000723893013 770707822 /nfs/dbraw/zinc/70/78/22/770707822.db2.gz VLNGPEPPVUXRAF-DGCLKSJQSA-N 2 0 294.826 2.692 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1CC[NH3+] ZINC000723903039 770710987 /nfs/dbraw/zinc/71/09/87/770710987.db2.gz SQZKRHVWOLTOJJ-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000723959907 770721565 /nfs/dbraw/zinc/72/15/65/770721565.db2.gz SWUNMMDRWJARGC-LMPOIIKSSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCCOC1 ZINC000723958449 770721864 /nfs/dbraw/zinc/72/18/64/770721864.db2.gz JECHEVOARLFDNR-FZKCQIBNSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000723977671 770731532 /nfs/dbraw/zinc/73/15/32/770731532.db2.gz MPEBTVDDZSTQCP-NXOAAHMSSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCCC[NH2+]1 ZINC000403586086 770796154 /nfs/dbraw/zinc/79/61/54/770796154.db2.gz VWSALHXGELPIBK-WYTNZGFTSA-N 2 0 254.443 2.533 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000690738589 770884494 /nfs/dbraw/zinc/88/44/94/770884494.db2.gz IBBPWXDASNZFDB-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000092119355 770923987 /nfs/dbraw/zinc/92/39/87/770923987.db2.gz BXEHKBZETBNLRS-JKSUJKDBSA-N 2 0 274.408 2.611 20 0 CFADRP FC1(C2CC2)CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000724801639 775109799 /nfs/dbraw/zinc/10/97/99/775109799.db2.gz DFNDINVWISPRMQ-CYBMUJFWSA-N 2 0 254.393 2.590 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1COC1CC[NH+](C(C)(C)C)CC1 ZINC001224707365 775256515 /nfs/dbraw/zinc/25/65/15/775256515.db2.gz QKACOCQHTNTNNV-CQSZACIVSA-N 2 0 268.445 2.750 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)Cc1cccs1 ZINC000925519129 775841960 /nfs/dbraw/zinc/84/19/60/775841960.db2.gz SEDPYHOVOQQZQM-SGMIIOHOSA-N 2 0 276.449 2.513 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C12CCC2 ZINC000925518591 775842579 /nfs/dbraw/zinc/84/25/79/775842579.db2.gz RMONWKLXTFZZLM-LEOABGAYSA-N 2 0 292.467 2.700 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1cc[nH+]c(N)c1 ZINC001226653148 775905294 /nfs/dbraw/zinc/90/52/94/775905294.db2.gz WPWSNVDAMVMLMI-WMLDXEAASA-N 2 0 297.402 2.953 20 0 CFADRP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC(F)(F)CC1 ZINC000690811872 775912307 /nfs/dbraw/zinc/91/23/07/775912307.db2.gz KOPCRJBZBKQFGN-VUJLMQJESA-N 2 0 284.394 2.786 20 0 CFADRP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccn1 ZINC000925714951 776217719 /nfs/dbraw/zinc/21/77/19/776217719.db2.gz ZWTDRUXYDDUHQR-XRGAULLZSA-N 2 0 273.424 2.551 20 0 CFADRP CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001277228438 776249921 /nfs/dbraw/zinc/24/99/21/776249921.db2.gz VDJGOWWIHKVFGH-CQSZACIVSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422765965 776327522 /nfs/dbraw/zinc/32/75/22/776327522.db2.gz WQTHLRDDMXPHGL-RIIWJZGXSA-N 2 0 250.430 2.918 20 0 CFADRP CCCO[C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167824713 776544284 /nfs/dbraw/zinc/54/42/84/776544284.db2.gz FUYFCQPLKOZMQV-JKSUJKDBSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC001167825536 776545104 /nfs/dbraw/zinc/54/51/04/776545104.db2.gz JVLHUAIJQXFYQQ-CVEARBPZSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)C1CCN(C)CC1 ZINC001167826565 776548178 /nfs/dbraw/zinc/54/81/78/776548178.db2.gz QFFMDMZKCIFCIS-INIZCTEOSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001167833902 776572238 /nfs/dbraw/zinc/57/22/38/776572238.db2.gz FORLCRZLDPCKSJ-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001167833959 776572386 /nfs/dbraw/zinc/57/23/86/776572386.db2.gz GOFCOBJXYGNAKE-FZKCQIBNSA-N 2 0 296.455 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)CCn1cccn1 ZINC001167836759 776585357 /nfs/dbraw/zinc/58/53/57/776585357.db2.gz GUAPKIALFWGUPZ-MRXNPFEDSA-N 2 0 280.460 2.716 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC001167838436 776587609 /nfs/dbraw/zinc/58/76/09/776587609.db2.gz UNECHIZXHCWUOZ-LSDHHAIUSA-N 2 0 270.461 2.732 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001167838086 776589486 /nfs/dbraw/zinc/58/94/86/776589486.db2.gz PNDMNIDEWGMCGQ-ARFHVFGLSA-N 2 0 298.471 2.770 20 0 CFADRP CCO[C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167839560 776592315 /nfs/dbraw/zinc/59/23/15/776592315.db2.gz ADSKPAPPDTVKER-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001167841637 776607327 /nfs/dbraw/zinc/60/73/27/776607327.db2.gz NJFQIRMYMFIVMV-WBVHZDCISA-N 2 0 281.488 2.665 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1cnc(C)nc1 ZINC001167841828 776607393 /nfs/dbraw/zinc/60/73/93/776607393.db2.gz RWAHNTZKIFUSJB-CQSZACIVSA-N 2 0 278.444 2.727 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2cccnc2C1 ZINC001167842873 776614714 /nfs/dbraw/zinc/61/47/14/776614714.db2.gz ZMLHCRXJZNBGFL-OAHLLOKOSA-N 2 0 275.440 2.950 20 0 CFADRP Cc1cc(C)c(C)c(NC(=[NH2+])SCC[NH3+])c1C ZINC001167915063 776844339 /nfs/dbraw/zinc/84/43/39/776844339.db2.gz QVSBKEFGRGSKDT-UHFFFAOYSA-N 2 0 251.399 2.959 20 0 CFADRP C[C@H](c1cccc(O[C@H]2C[NH+]3CCC2CC3)c1)[NH+](C)C ZINC001229627413 776858635 /nfs/dbraw/zinc/85/86/35/776858635.db2.gz QEWQJTHWDONDLN-DYVFJYSZSA-N 2 0 274.408 2.782 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](Oc2ccc(CC[NH+](C)C)cc2)C1 ZINC001229657822 776866734 /nfs/dbraw/zinc/86/67/34/776866734.db2.gz PCUXRDKPWPSMLS-QGZVFWFLSA-N 2 0 276.424 2.652 20 0 CFADRP [NH3+]C1(c2ccc(F)cc2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167916103 776868320 /nfs/dbraw/zinc/86/83/20/776868320.db2.gz FOOHTAHCOJOYRS-YWVIFJGQSA-N 2 0 274.383 2.874 20 0 CFADRP CC[N@@H+]1CCC[C@@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229702264 776876574 /nfs/dbraw/zinc/87/65/74/776876574.db2.gz ROBSWDZXIHKTPS-OAHLLOKOSA-N 2 0 262.397 2.611 20 0 CFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)C[C@H]3C2)cc1 ZINC001167941515 776993343 /nfs/dbraw/zinc/99/33/43/776993343.db2.gz ZYDIMVVLEUKMOV-ZRSRNVLSSA-N 2 0 282.431 2.849 20 0 CFADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C1CCC(F)(F)CC1 ZINC000721580056 777110641 /nfs/dbraw/zinc/11/06/41/777110641.db2.gz PVXFIYGFAXZGFB-HNNXBMFYSA-N 2 0 280.362 2.950 20 0 CFADRP Cc1cccc(N([C@@H]2C[C@H]3C[C@H]3C2)C2CC[NH2+]CC2)n1 ZINC001167949930 777175194 /nfs/dbraw/zinc/17/51/94/777175194.db2.gz ZWSWUVYAOKNPLG-MIFYACCESA-N 2 0 271.408 2.747 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000711165924 777183346 /nfs/dbraw/zinc/18/33/46/777183346.db2.gz FVNYFAXKJYCZER-MUJYYYPQSA-N 2 0 250.430 2.887 20 0 CFADRP COc1c(F)ccc(F)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001231414166 777214626 /nfs/dbraw/zinc/21/46/26/777214626.db2.gz INOBYZHKBHMSFJ-UHFFFAOYSA-N 2 0 296.361 2.501 20 0 CFADRP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(C)C ZINC001167958662 777277824 /nfs/dbraw/zinc/27/78/24/777277824.db2.gz HQBWUEXDFQKLMJ-HMQMGEFJSA-N 2 0 280.456 2.652 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@@H]1CCCCO1 ZINC001167963665 777385610 /nfs/dbraw/zinc/38/56/10/777385610.db2.gz ATBWKICLMFUCJW-HMQMGEFJSA-N 2 0 278.440 2.551 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964378 777391194 /nfs/dbraw/zinc/39/11/94/777391194.db2.gz QAZPSCLDMACTKU-HQSKLWIPSA-N 2 0 292.467 2.941 20 0 CFADRP COC[C@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011096 777411240 /nfs/dbraw/zinc/41/12/40/777411240.db2.gz HCPCJWTVMXDSJZ-CQSZACIVSA-N 2 0 259.353 2.564 20 0 CFADRP C[C@]1(CO)CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012319 777411260 /nfs/dbraw/zinc/41/12/60/777411260.db2.gz YPNLRZLQTXUBBK-INIZCTEOSA-N 2 0 273.380 2.547 20 0 CFADRP COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232014192 777412539 /nfs/dbraw/zinc/41/25/39/777412539.db2.gz ZTAVQQZCPKDJHW-PBHICJAKSA-N 2 0 285.391 2.811 20 0 CFADRP CO[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001232019142 777414849 /nfs/dbraw/zinc/41/48/49/777414849.db2.gz WSHPMGFKUMBARE-BXUZGUMPSA-N 2 0 259.353 2.562 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cncc(O)c1 ZINC001232044867 777422858 /nfs/dbraw/zinc/42/28/58/777422858.db2.gz OWTFXRBVGGMVLX-HOTGVXAUSA-N 2 0 289.423 2.626 20 0 CFADRP Cc1cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)on1 ZINC001277605091 777424415 /nfs/dbraw/zinc/42/44/15/777424415.db2.gz BBHYASYBEYUUKV-UHFFFAOYSA-N 2 0 289.423 2.823 20 0 CFADRP CC(C)N(C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(C)(C)C[NH3+] ZINC001167981714 777449065 /nfs/dbraw/zinc/44/90/65/777449065.db2.gz GKFXWFGSSPXZQY-SJPCQFCGSA-N 2 0 293.499 2.840 20 0 CFADRP CC(C)[N@H+](Cc1cn(C)nc1C1CC1)C1CCN(C)CC1 ZINC001232172194 777460146 /nfs/dbraw/zinc/46/01/46/777460146.db2.gz UDWUEYAWEXLTLT-UHFFFAOYSA-N 2 0 290.455 2.602 20 0 CFADRP C[N@H+]1C[C@H]2CN(Cc3cccn3Cc3ccccc3)C[C@H]2C1 ZINC001232238342 777487535 /nfs/dbraw/zinc/48/75/35/777487535.db2.gz KZZYHJSKXOBQTL-HDICACEKSA-N 2 0 295.430 2.530 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1nccc3ccccc31)CC2 ZINC001232252239 777493324 /nfs/dbraw/zinc/49/33/24/777493324.db2.gz NIBSZDQWKCULDP-UHFFFAOYSA-N 2 0 281.403 2.762 20 0 CFADRP CO[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167994749 777527262 /nfs/dbraw/zinc/52/72/62/777527262.db2.gz MZQUBNDPHAMLOD-WFFDWFOESA-N 2 0 292.467 2.893 20 0 CFADRP FC[C@H]1[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]12 ZINC001167994438 777528555 /nfs/dbraw/zinc/52/85/55/777528555.db2.gz DCAJJLJFPKLSAK-KZRPPTPTSA-N 2 0 278.415 2.539 20 0 CFADRP COC[C@H]1CCCC[N@H+](CCCCCCC[NH3+])C1 ZINC000696560416 777564776 /nfs/dbraw/zinc/56/47/76/777564776.db2.gz OXXBAMGITSQHGQ-HNNXBMFYSA-N 2 0 256.434 2.644 20 0 CFADRP C[C@@H]1C[C@@H](n2ccnc2C[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168004954 777573946 /nfs/dbraw/zinc/57/39/46/777573946.db2.gz COILZPNMLDCAAT-SCAQPMJSSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@@H](C[N@@H+]1CCO[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC001204757249 777590442 /nfs/dbraw/zinc/59/04/42/777590442.db2.gz XHVABLPJNICKAN-DOTOQJQBSA-N 2 0 298.430 2.993 20 0 CFADRP Cc1ccnc(N2CC3(CN(CCCC(F)(F)F)C3)C2)c1 ZINC001277681776 777605084 /nfs/dbraw/zinc/60/50/84/777605084.db2.gz XRLFKBBOCPRDIE-UHFFFAOYSA-N 2 0 299.340 2.855 20 0 CFADRP C[C@@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012221 777625722 /nfs/dbraw/zinc/62/57/22/777625722.db2.gz YDVXBQHAXGYBDE-CUSZFKRNSA-N 2 0 290.451 2.789 20 0 CFADRP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(c2cc[nH+]cc2)C3)c1 ZINC001277693710 777628340 /nfs/dbraw/zinc/62/83/40/777628340.db2.gz JSQJGKWCCHGVRF-GOSISDBHSA-N 2 0 296.418 2.902 20 0 CFADRP c1cc(N2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)cc[nH+]1 ZINC001277694220 777628582 /nfs/dbraw/zinc/62/85/82/777628582.db2.gz RKGXYGAKVYDTNY-XJKSGUPXSA-N 2 0 257.381 2.535 20 0 CFADRP Cc1c(C[NH+]2CCC(C[NH+](C)C)CC2)ccnc1Cl ZINC001232752911 777657995 /nfs/dbraw/zinc/65/79/95/777657995.db2.gz QGPPYSRXHBZWNG-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP C[C@@H]1CC([NH2+]C[C@H]2CCO2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017980 777665869 /nfs/dbraw/zinc/66/58/69/777665869.db2.gz YITREAWGKNYCPH-IIDMSEBBSA-N 2 0 288.435 2.807 20 0 CFADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(F)cc1F ZINC001232786878 777669406 /nfs/dbraw/zinc/66/94/06/777669406.db2.gz UNYBHASKYXLBOH-UHFFFAOYSA-N 2 0 280.362 2.801 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)c1 ZINC000697001283 777953607 /nfs/dbraw/zinc/95/36/07/777953607.db2.gz VNZIPMQGJXALDS-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC001168090417 778012043 /nfs/dbraw/zinc/01/20/43/778012043.db2.gz DCJMDWHSAFESQM-DZGCQCFKSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168090578 778015603 /nfs/dbraw/zinc/01/56/03/778015603.db2.gz FMSDOKDMZQIUGD-MELADBBJSA-N 2 0 256.434 2.545 20 0 CFADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168093179 778025203 /nfs/dbraw/zinc/02/52/03/778025203.db2.gz UPVPDOHXAJOKNW-JWMHWRSXSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC(N)(c3ccccc3F)CC2)CCO1 ZINC001168092962 778025788 /nfs/dbraw/zinc/02/57/88/778025788.db2.gz KBSMDELIGNZSJI-KBPBESRZSA-N 2 0 292.398 2.643 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCO1 ZINC001168094083 778030357 /nfs/dbraw/zinc/03/03/57/778030357.db2.gz RQOASJSUQZBWLZ-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CCO1 ZINC001168094473 778031033 /nfs/dbraw/zinc/03/10/33/778031033.db2.gz ULPGHCPJUQFKAG-HIFRSBDPSA-N 2 0 266.429 2.537 20 0 CFADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCO[C@@H](C)C1 ZINC001168101433 778043211 /nfs/dbraw/zinc/04/32/11/778043211.db2.gz LNUOVYIPURENBL-YHUYYLMFSA-N 2 0 268.445 2.782 20 0 CFADRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCO[C@H](C)C1 ZINC001168101430 778043239 /nfs/dbraw/zinc/04/32/39/778043239.db2.gz LNUOVYIPURENBL-FPCVCCKLSA-N 2 0 268.445 2.782 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](Oc2cccc3c2CC[NH+](C)C3)C1 ZINC001234421273 778222241 /nfs/dbraw/zinc/22/22/41/778222241.db2.gz CMMKEVBXQWGUSZ-OAHLLOKOSA-N 2 0 274.408 2.536 20 0 CFADRP CC(C)[NH+]1CCC(Oc2cccc3c2CC[N@H+](C)C3)CC1 ZINC001234422044 778222845 /nfs/dbraw/zinc/22/28/45/778222845.db2.gz HDGYBGFGMUNHTJ-UHFFFAOYSA-N 2 0 288.435 2.926 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CCC(CC[NH3+])CC1)C2 ZINC001168245295 778269448 /nfs/dbraw/zinc/26/94/48/778269448.db2.gz VXHZJMCAPIYULO-QWFMPGPPSA-N 2 0 288.435 2.660 20 0 CFADRP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978778 778345619 /nfs/dbraw/zinc/34/56/19/778345619.db2.gz KIORSJUHAXLTHQ-BETUJISGSA-N 2 0 272.417 2.861 20 0 CFADRP Cc1c(F)cc(F)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992310 778346961 /nfs/dbraw/zinc/34/69/61/778346961.db2.gz IDUGPMKOERQVTJ-INIZCTEOSA-N 2 0 280.362 2.849 20 0 CFADRP CCN1CCc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001234996739 778349497 /nfs/dbraw/zinc/34/94/97/778349497.db2.gz DCGIRLIOSZWOBF-IBGZPJMESA-N 2 0 299.462 2.645 20 0 CFADRP CC1=C[C@H](C)[C@H](C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)CC1 ZINC001235005099 778351670 /nfs/dbraw/zinc/35/16/70/778351670.db2.gz DONFKLPXDONGGK-OKZBNKHCSA-N 2 0 292.467 2.681 20 0 CFADRP Cc1cc(OC(C)C)cc(C)c1CN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235029871 778359442 /nfs/dbraw/zinc/35/94/42/778359442.db2.gz BJDDLMMBQSQVSY-MAUKXSAKSA-N 2 0 288.435 2.884 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([N@H+](C)CCC[NH+]1CCCC1)C2 ZINC001168279980 778382403 /nfs/dbraw/zinc/38/24/03/778382403.db2.gz LDRUEZAEAKIZFL-KRWDZBQOSA-N 2 0 288.435 2.580 20 0 CFADRP c1c[nH]c(CN2CCC[C@@]3(CCC[N@@H+](C4CC4)C3)C2)c1 ZINC001277923226 778382583 /nfs/dbraw/zinc/38/25/83/778382583.db2.gz SFRZZCLYDIYNQK-QGZVFWFLSA-N 2 0 273.424 2.855 20 0 CFADRP COc1ccc2c(c1)C[C@H]([N@H+](C)CCC[NH+]1CCCC1)C2 ZINC001168279981 778383015 /nfs/dbraw/zinc/38/30/15/778383015.db2.gz LDRUEZAEAKIZFL-QGZVFWFLSA-N 2 0 288.435 2.580 20 0 CFADRP CCn1ccc2ccc(CN3CCC[C@@]34CC[NH2+]C4)cc21 ZINC001235111613 778384706 /nfs/dbraw/zinc/38/47/06/778384706.db2.gz RSZOUWQDHLVSPL-SFHVURJKSA-N 2 0 283.419 2.989 20 0 CFADRP c1cc(C2CC2)ccc1CN1CCC[C@]12CC[NH2+]C2 ZINC001235111225 778384792 /nfs/dbraw/zinc/38/47/92/778384792.db2.gz PIMRQSFXDGFXIR-QGZVFWFLSA-N 2 0 256.393 2.892 20 0 CFADRP CCn1ccc2c1cccc2CN1CCC[C@@]12CC[NH2+]C2 ZINC001235109685 778384823 /nfs/dbraw/zinc/38/48/23/778384823.db2.gz HIURYXQKQKYSJD-SFHVURJKSA-N 2 0 283.419 2.989 20 0 CFADRP Nc1ccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1F ZINC001235155748 778398584 /nfs/dbraw/zinc/39/85/84/778398584.db2.gz MRLYFRDHOMSZLY-KRWDZBQOSA-N 2 0 291.414 2.762 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235174545 778403067 /nfs/dbraw/zinc/40/30/67/778403067.db2.gz UEWABRORKAMYTN-GOSISDBHSA-N 2 0 293.499 2.907 20 0 CFADRP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235192893 778408824 /nfs/dbraw/zinc/40/88/24/778408824.db2.gz GQJPZQRLCYCDBD-KCYZZUKISA-N 2 0 290.838 2.985 20 0 CFADRP c1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc2c1CCN2 ZINC001235192090 778408866 /nfs/dbraw/zinc/40/88/66/778408866.db2.gz WJIWZOXALLLXRR-UHFFFAOYSA-N 2 0 285.435 2.763 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCCCC12CC[NH2+]CC2 ZINC001235191729 778409029 /nfs/dbraw/zinc/40/90/29/778409029.db2.gz XMFOLZMSLDHYQX-UHFFFAOYSA-N 2 0 293.499 2.907 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193841 778409559 /nfs/dbraw/zinc/40/95/59/778409559.db2.gz QOICDNXLLHOVQW-IAGOWNOFSA-N 2 0 258.409 2.680 20 0 CFADRP C[NH+](C)C1CCC(n2nc(CC[NH3+])c3ccccc32)CC1 ZINC001168299673 778415147 /nfs/dbraw/zinc/41/51/47/778415147.db2.gz MKOWVEJPTCFISU-UHFFFAOYSA-N 2 0 286.423 2.583 20 0 CFADRP C[NH+](C)C1CCC(N(C(N)=[NH2+])c2ccc(Cl)cc2)CC1 ZINC001168305277 778419716 /nfs/dbraw/zinc/41/97/16/778419716.db2.gz GNPAUZNYKFSNIE-UHFFFAOYSA-N 2 0 294.830 2.913 20 0 CFADRP CC(C)Cn1cnc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC001168306290 778419988 /nfs/dbraw/zinc/41/99/88/778419988.db2.gz VHDYSHVWYLLLJU-UHFFFAOYSA-N 2 0 278.444 2.502 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc2c1C[NH2+]C2 ZINC001235223387 778420257 /nfs/dbraw/zinc/42/02/57/778420257.db2.gz DPGSZDYZURNSSI-ZBFHGGJFSA-N 2 0 256.393 2.912 20 0 CFADRP CC(C)n1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235226824 778422139 /nfs/dbraw/zinc/42/21/39/778422139.db2.gz AFZTVCQGNVIJRS-QGZVFWFLSA-N 2 0 290.455 2.818 20 0 CFADRP c1[nH]c2cnccc2c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237268 778426834 /nfs/dbraw/zinc/42/68/34/778426834.db2.gz ACNJUSYGHQNWHS-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc([C@H]3CCCC[N@@H+]3C)cn2)C1 ZINC001168315467 778426885 /nfs/dbraw/zinc/42/68/85/778426885.db2.gz PZLBBGMBWPDVFV-MRXNPFEDSA-N 2 0 288.439 2.743 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001168314844 778426927 /nfs/dbraw/zinc/42/69/27/778426927.db2.gz FTGJVMKLZXUQDF-SSHXOBKSSA-N 2 0 278.440 2.693 20 0 CFADRP c1cc2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)ncc2[nH]1 ZINC001235237890 778426980 /nfs/dbraw/zinc/42/69/80/778426980.db2.gz DXZJJIUCRMZGMI-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001168319022 778429046 /nfs/dbraw/zinc/42/90/46/778429046.db2.gz LNEQGKUADSVBNT-UHFFFAOYSA-N 2 0 274.408 2.623 20 0 CFADRP COc1ccc(C[N@H+](C)C2CCC([NH+](C)C)CC2)cc1 ZINC001168319789 778430333 /nfs/dbraw/zinc/43/03/33/778430333.db2.gz YRTMVCGZPRMITB-UHFFFAOYSA-N 2 0 276.424 3.000 20 0 CFADRP COc1ncc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c2ccccc21 ZINC001235246545 778430364 /nfs/dbraw/zinc/43/03/64/778430364.db2.gz ZBPRSJLZRTZCNN-RDTXWAMCSA-N 2 0 297.402 2.557 20 0 CFADRP Cc1cc(F)cc(C)c1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235247916 778430625 /nfs/dbraw/zinc/43/06/25/778430625.db2.gz IAWDXWYPSYXBNI-CZUORRHYSA-N 2 0 262.372 2.756 20 0 CFADRP CCCCCN1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168322503 778430996 /nfs/dbraw/zinc/43/09/96/778430996.db2.gz DCRRBFROQHTVGO-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235253925 778433121 /nfs/dbraw/zinc/43/31/21/778433121.db2.gz GGOSXTZVXAZRSJ-UKRRQHHQSA-N 2 0 298.352 2.932 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328167 778434558 /nfs/dbraw/zinc/43/45/58/778434558.db2.gz YESCCKDQKWEFRH-QQFBHYJXSA-N 2 0 296.455 2.524 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235272480 778441043 /nfs/dbraw/zinc/44/10/43/778441043.db2.gz QASKZARJBRKDMY-NVXWUHKLSA-N 2 0 281.403 2.661 20 0 CFADRP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283178 778442664 /nfs/dbraw/zinc/44/26/64/778442664.db2.gz DRNKIMYIWDABTR-YWVIFJGQSA-N 2 0 283.419 2.854 20 0 CFADRP c1cc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cs1 ZINC001168356733 778457246 /nfs/dbraw/zinc/45/72/46/778457246.db2.gz VHQNLMKIRPHTFX-UHFFFAOYSA-N 2 0 264.438 2.755 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(C)c1 ZINC001235334421 778458231 /nfs/dbraw/zinc/45/82/31/778458231.db2.gz FFFUXGBGFFFKDP-UHFFFAOYSA-N 2 0 288.435 2.825 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(O)cc1 ZINC001168357049 778459094 /nfs/dbraw/zinc/45/90/94/778459094.db2.gz ZFXNOZVIOOGOFQ-ZDUSSCGKSA-N 2 0 274.408 2.917 20 0 CFADRP Cc1cc(F)cc(C)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235339380 778460598 /nfs/dbraw/zinc/46/05/98/778460598.db2.gz JUSPZBSLQZYMAI-UHFFFAOYSA-N 2 0 276.399 2.874 20 0 CFADRP c1cc2c(s1)CC[N@@H+](Cc1ccc3c(c1)CC[NH2+]C3)C2 ZINC001235348642 778465363 /nfs/dbraw/zinc/46/53/63/778465363.db2.gz HVVPTAQBAQPPMB-UHFFFAOYSA-N 2 0 284.428 2.952 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](OCC)C2)CC1 ZINC000721255867 778475411 /nfs/dbraw/zinc/47/54/11/778475411.db2.gz SVHBHVYZBSXJLH-HZPDHXFCSA-N 2 0 268.445 2.798 20 0 CFADRP CNc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235420688 778485237 /nfs/dbraw/zinc/48/52/37/778485237.db2.gz AIVCOTMHHHAKKV-DLBZAZTESA-N 2 0 287.451 2.940 20 0 CFADRP Cc1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422847 778485509 /nfs/dbraw/zinc/48/55/09/778485509.db2.gz DPWONSYGTPPIBN-HZPDHXFCSA-N 2 0 288.435 2.912 20 0 CFADRP Oc1ccc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235431748 778487828 /nfs/dbraw/zinc/48/78/28/778487828.db2.gz VRZIVICAYMHJHJ-ZIAGYGMSSA-N 2 0 292.398 2.743 20 0 CFADRP Cc1cc(F)cc(C)c1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001235433478 778488053 /nfs/dbraw/zinc/48/80/53/778488053.db2.gz XMKPGOCKLPHKHI-UHFFFAOYSA-N 2 0 264.388 2.874 20 0 CFADRP CCOc1ccc(C)cc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001235434014 778488291 /nfs/dbraw/zinc/48/82/91/778488291.db2.gz WWCCHYVZOCMZGC-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP COc1cc(C)c(C)cc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001235431779 778488361 /nfs/dbraw/zinc/48/83/61/778488361.db2.gz CJMPOKFBZGNXRW-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP CCCOc1ccccc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC001235433043 778488514 /nfs/dbraw/zinc/48/85/14/778488514.db2.gz FJXKWFNQCSFKKP-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H](C)[NH2+]C[C@H]3C)cc21 ZINC001235450758 778494505 /nfs/dbraw/zinc/49/45/05/778494505.db2.gz WNKCUJBEHHBBJM-LSDHHAIUSA-N 2 0 299.462 2.870 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001277959793 778529620 /nfs/dbraw/zinc/52/96/20/778529620.db2.gz VSWZYRGVGDPQKF-IAGOWNOFSA-N 2 0 296.499 2.981 20 0 CFADRP Cc1ccccc1O[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235673847 778531576 /nfs/dbraw/zinc/53/15/76/778531576.db2.gz ILKDVIZASNZADI-IAGOWNOFSA-N 2 0 288.435 2.838 20 0 CFADRP CCOc1ccc(C)cc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC001235679773 778534390 /nfs/dbraw/zinc/53/43/90/778534390.db2.gz XEEPHCBZPOIWEV-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC1(C)CC[NH+](CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001235691267 778537170 /nfs/dbraw/zinc/53/71/70/778537170.db2.gz OCVPVZMWWKDGEA-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP CCN(CCC[NH2+]C1CCCCC1)CC[NH+](CC)CC ZINC001235690933 778538459 /nfs/dbraw/zinc/53/84/59/778538459.db2.gz FIOAFCYQGITHSM-UHFFFAOYSA-N 2 0 283.504 2.963 20 0 CFADRP c1ccc2c(c1)CC[NH+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235690795 778538525 /nfs/dbraw/zinc/53/85/25/778538525.db2.gz MNUSLZMNALBDRN-UHFFFAOYSA-N 2 0 292.426 2.933 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(Oc2cccc(Cl)c2)CC1 ZINC001235688527 778538543 /nfs/dbraw/zinc/53/85/43/778538543.db2.gz QFDCRMZHSJRERP-UHFFFAOYSA-N 2 0 282.815 2.922 20 0 CFADRP Cc1ccccc1O[C@@H]1CCC[N@H+](CCCCC[NH3+])C1 ZINC001235691590 778539132 /nfs/dbraw/zinc/53/91/32/778539132.db2.gz KXOMUPKUGUHMNE-MRXNPFEDSA-N 2 0 276.424 2.967 20 0 CFADRP CC(C)[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)CC1CC1 ZINC001235694711 778539336 /nfs/dbraw/zinc/53/93/36/778539336.db2.gz ISHCAJCLIJOIQR-UHFFFAOYSA-N 2 0 287.451 2.717 20 0 CFADRP CCC[C@@H]1CCCC[N@@H+]1Cc1ccc2n1CC[NH2+]C2 ZINC001235694774 778540894 /nfs/dbraw/zinc/54/08/94/778540894.db2.gz UCWOIMZEXMEBNX-CQSZACIVSA-N 2 0 261.413 2.746 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1O ZINC001235706672 778543287 /nfs/dbraw/zinc/54/32/87/778543287.db2.gz VEAOZOWZWGJDPU-UHFFFAOYSA-N 2 0 288.435 2.912 20 0 CFADRP Cn1cc(C[N@H+](C)CCC2CC[NH2+]CC2)c2ccccc21 ZINC001235714562 778545405 /nfs/dbraw/zinc/54/54/05/778545405.db2.gz NQXGXGUNQAHKSF-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP CC[C@@H]([NH3+])CN(C)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001235718621 778546680 /nfs/dbraw/zinc/54/66/80/778546680.db2.gz KJPSQMTVUCCIJQ-CGTJXYLNSA-N 2 0 289.467 2.566 20 0 CFADRP CC[N@H+](Cc1cccc2c1CCC2)C1CC[NH2+]CC1 ZINC001235764511 778553455 /nfs/dbraw/zinc/55/34/55/778553455.db2.gz HUQZPXNMSUTBJY-UHFFFAOYSA-N 2 0 258.409 2.749 20 0 CFADRP CC(C)(CO)C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001277967592 778556511 /nfs/dbraw/zinc/55/65/11/778556511.db2.gz CLLNMWVQJQWMNE-GOSISDBHSA-N 2 0 294.483 2.735 20 0 CFADRP CCCC[NH+](CCCC)Cc1ccc2n1CC[NH2+]C2 ZINC001235833496 778573086 /nfs/dbraw/zinc/57/30/86/778573086.db2.gz FUANRKUVGVORAM-UHFFFAOYSA-N 2 0 263.429 2.994 20 0 CFADRP COc1ccc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001235840261 778575191 /nfs/dbraw/zinc/57/51/91/778575191.db2.gz GWMOMPVAVHAPCY-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP CC(C)C[C@H]1CN(CCC[NH2+]C2CCCCC2)CC[NH2+]1 ZINC001235877864 778587559 /nfs/dbraw/zinc/58/75/59/778587559.db2.gz AFTRPGLPLIBWFA-KRWDZBQOSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH3+])CN1CC[C@H](c2ccc(Br)cc2)C1 ZINC001235881562 778588951 /nfs/dbraw/zinc/58/89/51/778588951.db2.gz GLNBCLHLMJKTQE-PWSUYJOCSA-N 2 0 283.213 2.586 20 0 CFADRP CC[NH2+]CCN1CC[C@H](c2ccc(Br)cc2)C1 ZINC001235882927 778589467 /nfs/dbraw/zinc/58/94/67/778589467.db2.gz TWSZIIRMBQKGFI-ZDUSSCGKSA-N 2 0 297.240 2.848 20 0 CFADRP c1ccc2c(c1)CC(C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)C2 ZINC001235883563 778590696 /nfs/dbraw/zinc/59/06/96/778590696.db2.gz HVAJNTDKMPCBES-LJQANCHMSA-N 2 0 284.447 2.865 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)c1Cl ZINC001235935006 778616250 /nfs/dbraw/zinc/61/62/50/778616250.db2.gz CFALTOPGCCLPTJ-GJZGRUSLSA-N 2 0 278.827 2.998 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1OC(C)C ZINC001235935365 778616839 /nfs/dbraw/zinc/61/68/39/778616839.db2.gz DJSOYTZRLFHDAL-WBVHZDCISA-N 2 0 288.435 2.824 20 0 CFADRP CCc1cccc(C[N@H+](CCCOC)C2CC[NH2+]CC2)c1 ZINC001235937372 778618109 /nfs/dbraw/zinc/61/81/09/778618109.db2.gz LOHUDMUCOSSYQT-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235941665 778619133 /nfs/dbraw/zinc/61/91/33/778619133.db2.gz WUQAEYZLMOGJIV-ROUUACIJSA-N 2 0 272.436 2.926 20 0 CFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)c1C ZINC001235942941 778620453 /nfs/dbraw/zinc/62/04/53/778620453.db2.gz YTOQHZSVOAXEDJ-HOTGVXAUSA-N 2 0 288.435 2.662 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235942852 778620481 /nfs/dbraw/zinc/62/04/81/778620481.db2.gz YGLHTXAWTLERCT-KGLIPLIRSA-N 2 0 278.827 2.998 20 0 CFADRP CCN1CCc2ccc(C[N@H+](C)C[C@@H]3CCC[NH2+]C3)cc21 ZINC001235959985 778628548 /nfs/dbraw/zinc/62/85/48/778628548.db2.gz QSZUEZOJWURXKG-MRXNPFEDSA-N 2 0 287.451 2.500 20 0 CFADRP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1CCCC[NH3+] ZINC001235963923 778632418 /nfs/dbraw/zinc/63/24/18/778632418.db2.gz YASGSYATHXNAQC-HUUCEWRRSA-N 2 0 256.434 2.989 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001235972130 778634272 /nfs/dbraw/zinc/63/42/72/778634272.db2.gz JBTWQJKIQWAPJG-CQSZACIVSA-N 2 0 296.418 2.520 20 0 CFADRP CC/C=C\CCCCCC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235992575 778645046 /nfs/dbraw/zinc/64/50/46/778645046.db2.gz KCCITXGPHBNQLR-ULCCAKMGSA-N 2 0 280.456 2.809 20 0 CFADRP C[N@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)C1CCC(C(C)(C)C)CC1 ZINC001236008960 778653064 /nfs/dbraw/zinc/65/30/64/778653064.db2.gz OBOWQHIZXSIZCT-LISQQWEMSA-N 2 0 264.457 2.989 20 0 CFADRP Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(C)c1 ZINC001236009406 778653763 /nfs/dbraw/zinc/65/37/63/778653763.db2.gz TVDMFUCBSIOFFC-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001236044031 778662975 /nfs/dbraw/zinc/66/29/75/778662975.db2.gz IRSRSSNTFZJFIT-UHFFFAOYSA-N 2 0 292.467 2.801 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236045856 778664853 /nfs/dbraw/zinc/66/48/53/778664853.db2.gz XLNZIRRWEOQXQF-HZPDHXFCSA-N 2 0 298.471 2.949 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CC[C@H]2CC=C(C)C2(C)C)C1 ZINC001236068299 778679423 /nfs/dbraw/zinc/67/94/23/778679423.db2.gz XQEMYBGPTYNOJX-HUUCEWRRSA-N 2 0 250.430 2.910 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236074099 778681435 /nfs/dbraw/zinc/68/14/35/778681435.db2.gz UGMJWFDRPYNXID-FUHWJXTLSA-N 2 0 293.499 2.866 20 0 CFADRP Fc1ccc(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC001236081037 778684237 /nfs/dbraw/zinc/68/42/37/778684237.db2.gz LMWXWPVAYNEIMC-CQSZACIVSA-N 2 0 294.389 2.829 20 0 CFADRP COC(C)(C)CCC[C@H](C)CC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236093401 778687356 /nfs/dbraw/zinc/68/73/56/778687356.db2.gz GUCVZKLTSGSSDE-ZNMIVQPWSA-N 2 0 270.461 2.887 20 0 CFADRP CCn1ccc2c1cccc2C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095052 778689783 /nfs/dbraw/zinc/68/97/83/778689783.db2.gz MBLKWYQQGFHAGX-AWEZNQCLSA-N 2 0 271.408 2.845 20 0 CFADRP CC(C)[C@@H]1CCC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001236108752 778697479 /nfs/dbraw/zinc/69/74/79/778697479.db2.gz MWBWJFUJKIQVKV-HNNXBMFYSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1[nH+]c(-c2cnn(CCC[NH+](C)C)c2)cc2[nH]ccc21 ZINC001236148283 778717875 /nfs/dbraw/zinc/71/78/75/778717875.db2.gz HMWRQQBTHUZTQR-UHFFFAOYSA-N 2 0 283.379 2.687 20 0 CFADRP CC[C@@H]([NH3+])CN(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001236151933 778719677 /nfs/dbraw/zinc/71/96/77/778719677.db2.gz KJPSQMTVUCCIJQ-JQHSSLGASA-N 2 0 289.467 2.566 20 0 CFADRP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc2ccccc2c1 ZINC001236184884 778728520 /nfs/dbraw/zinc/72/85/20/778728520.db2.gz WWLGDSYRGGIEDE-GOSISDBHSA-N 2 0 284.403 2.650 20 0 CFADRP CC[C@@H]([NH3+])CN1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001236191992 778732100 /nfs/dbraw/zinc/73/21/00/778732100.db2.gz FDNVFJKDRFYVNM-QGZVFWFLSA-N 2 0 281.488 2.558 20 0 CFADRP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001236191011 778732163 /nfs/dbraw/zinc/73/21/63/778732163.db2.gz IZKSMUUVIKXKEM-KSSFIOAISA-N 2 0 299.418 2.683 20 0 CFADRP Clc1ccc(CCC[NH+]2CCC[NH2+]CCC2)cc1 ZINC001236241308 778750395 /nfs/dbraw/zinc/75/03/95/778750395.db2.gz XXUPVCVGCJUBGM-UHFFFAOYSA-N 2 0 266.816 2.958 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387612 778768036 /nfs/dbraw/zinc/76/80/36/778768036.db2.gz MKMSGIZPNZDTCJ-OKILXGFUSA-N 2 0 250.430 2.839 20 0 CFADRP [NH3+]CCCC[N@H+](CCCCCCO)Cc1ccccc1 ZINC001236314068 778772803 /nfs/dbraw/zinc/77/28/03/778772803.db2.gz GBZCADFAYOKESC-UHFFFAOYSA-N 2 0 278.440 2.780 20 0 CFADRP Fc1cccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c21 ZINC001236314710 778773845 /nfs/dbraw/zinc/77/38/45/778773845.db2.gz FRWLXLKDPRHEGF-BETUJISGSA-N 2 0 287.382 2.738 20 0 CFADRP Cc1cccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c21 ZINC001236316299 778775280 /nfs/dbraw/zinc/77/52/80/778775280.db2.gz QWISOLSDWJZRLG-GASCZTMLSA-N 2 0 283.419 2.908 20 0 CFADRP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236317575 778776625 /nfs/dbraw/zinc/77/66/25/778776625.db2.gz ZKJFHLWTBWKICK-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP Cc1c(F)ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236322111 778779034 /nfs/dbraw/zinc/77/90/34/778779034.db2.gz PXSWYQXNFLGCDI-BETUJISGSA-N 2 0 280.362 2.705 20 0 CFADRP CSc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322516 778779183 /nfs/dbraw/zinc/77/91/83/778779183.db2.gz ZZNMSSQNLNHVTK-OKILXGFUSA-N 2 0 276.449 2.840 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC001168397895 778787814 /nfs/dbraw/zinc/78/78/14/778787814.db2.gz QJRDSBPWDDCZJB-QGZVFWFLSA-N 2 0 276.399 2.759 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)CCC2)C[C@H]1CC[NH2+]C1 ZINC001236407162 778804948 /nfs/dbraw/zinc/80/49/48/778804948.db2.gz CKNWVQDURCKDRW-HNNXBMFYSA-N 2 0 258.409 2.607 20 0 CFADRP C[N@H+](CCCCCc1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411825 778806251 /nfs/dbraw/zinc/80/62/51/778806251.db2.gz HCERHJWYRDFXKU-FVQHAEBGSA-N 2 0 258.409 2.549 20 0 CFADRP CCOc1ccc(C)c(C[N@H+](CC)C[C@H]2CC[NH2+]C2)c1 ZINC001236412113 778806836 /nfs/dbraw/zinc/80/68/36/778806836.db2.gz RCKBEZSOSRMAFZ-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC001236426654 778821226 /nfs/dbraw/zinc/82/12/26/778821226.db2.gz ZIKKRRAAAGNYMO-UHFFFAOYSA-N 2 0 296.418 2.535 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CC[C@H]1CCCC[NH2+]1)CCC2 ZINC001236434469 778828898 /nfs/dbraw/zinc/82/88/98/778828898.db2.gz SOCOKKCYKPQGFQ-QGZVFWFLSA-N 2 0 288.435 2.976 20 0 CFADRP OCCCC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453031 778833841 /nfs/dbraw/zinc/83/38/41/778833841.db2.gz NJPVPYOGTXRNNF-UHFFFAOYSA-N 2 0 296.842 2.667 20 0 CFADRP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168402929 778837592 /nfs/dbraw/zinc/83/75/92/778837592.db2.gz HOXZDWNOGFODLK-DLBZAZTESA-N 2 0 276.399 2.757 20 0 CFADRP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168402947 778837632 /nfs/dbraw/zinc/83/76/32/778837632.db2.gz HOXZDWNOGFODLK-SJORKVTESA-N 2 0 276.399 2.757 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCO)Cc2ccccc2F)CC1 ZINC001236533820 778867415 /nfs/dbraw/zinc/86/74/15/778867415.db2.gz ICQRQKQBIILHCB-WKILWMFISA-N 2 0 294.414 2.670 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551415 778875277 /nfs/dbraw/zinc/87/52/77/778875277.db2.gz QBVNFLKAYMUYGX-BRWVUGGUSA-N 3 0 281.488 2.604 20 0 CFADRP CC(C)C[N@H+](CC1(C)CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553059 778875381 /nfs/dbraw/zinc/87/53/81/778875381.db2.gz WDVBMQOMJGNZBR-WKILWMFISA-N 3 0 281.488 2.604 20 0 CFADRP Cc1n[nH]c(C)c1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551484 778875651 /nfs/dbraw/zinc/87/56/51/778875651.db2.gz QSHAYRFWRPNQBX-SHTZXODSSA-N 2 0 278.444 2.754 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCC2C[NH2+]C2)C2CCCCC2)CC1 ZINC001236565442 778877838 /nfs/dbraw/zinc/87/78/38/778877838.db2.gz GLPBJQXGOROOTP-JCNLHEQBSA-N 3 0 279.472 2.501 20 0 CFADRP Fc1ccc(CC[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236584517 778886245 /nfs/dbraw/zinc/88/62/45/778886245.db2.gz GMYGTDJWYKIKOM-CQSZACIVSA-N 2 0 294.389 2.971 20 0 CFADRP COc1cccc([C@H]2CSCC[N@@H+]2CCCC[NH3+])c1 ZINC001236604140 778891095 /nfs/dbraw/zinc/89/10/95/778891095.db2.gz CKMGBKTTYBMYIH-OAHLLOKOSA-N 2 0 280.437 2.524 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)o1 ZINC001236601636 778891266 /nfs/dbraw/zinc/89/12/66/778891266.db2.gz KVAAAXHXQUWYPS-CQSZACIVSA-N 2 0 287.363 2.648 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001236616409 778895708 /nfs/dbraw/zinc/89/57/08/778895708.db2.gz MUKLDGUIHLEMKL-JKSUJKDBSA-N 2 0 281.488 2.700 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1 ZINC001232310799 778923149 /nfs/dbraw/zinc/92/31/49/778923149.db2.gz AQEPDSSWVXPUBD-UHFFFAOYSA-N 2 0 291.439 2.562 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3cccc4occc43)C2)CC1 ZINC001236738914 778924504 /nfs/dbraw/zinc/92/45/04/778924504.db2.gz JHEGPBUIQJSVDZ-UHFFFAOYSA-N 2 0 270.376 2.960 20 0 CFADRP CN1CCC[C@H]2C[N@H+](Cc3cccc4ccoc43)C[C@@H]21 ZINC001236743956 778927489 /nfs/dbraw/zinc/92/74/89/778927489.db2.gz VEIHNLCHYCLAIK-HOCLYGCPSA-N 2 0 270.376 2.959 20 0 CFADRP CC(C)(C)C[N@H+](C[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767923 778930830 /nfs/dbraw/zinc/93/08/30/778930830.db2.gz KNCLNVWHRJDITL-JYJNAYRXSA-N 2 0 281.488 2.747 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC001236817531 778951700 /nfs/dbraw/zinc/95/17/00/778951700.db2.gz CIOGSGYKEARNGX-GLQYFDAESA-N 2 0 264.438 2.870 20 0 CFADRP COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1C ZINC001236818995 778953094 /nfs/dbraw/zinc/95/30/94/778953094.db2.gz LNJQWSILABEBKZ-XIRDDKMYSA-N 2 0 288.435 2.790 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC001236826895 778955206 /nfs/dbraw/zinc/95/52/06/778955206.db2.gz CWVKBKHYJOFQPZ-BHYGNILZSA-N 2 0 288.435 2.951 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC001236829438 778956275 /nfs/dbraw/zinc/95/62/75/778956275.db2.gz KKBBWHCRRGDULM-IACUBPJLSA-N 2 0 264.800 2.818 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC001236832903 778957913 /nfs/dbraw/zinc/95/79/13/778957913.db2.gz XIEMYOMFNPFOPN-ULQDDVLXSA-N 2 0 258.409 2.808 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)CCC2)C[C@H]1CC[NH2+]C1 ZINC001236835325 778959451 /nfs/dbraw/zinc/95/94/51/778959451.db2.gz LERVCCDMSMFEMV-INIZCTEOSA-N 2 0 272.436 2.997 20 0 CFADRP CCC[N@@H+](Cc1ccc(NC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236842269 778961847 /nfs/dbraw/zinc/96/18/47/778961847.db2.gz DISUWZVIIPNPGN-OAHLLOKOSA-N 2 0 261.413 2.550 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)CCCN2)C[C@@H]1CC[NH2+]C1 ZINC001236843841 778964165 /nfs/dbraw/zinc/96/41/65/778964165.db2.gz RIGPCVWJEPIIMN-MRXNPFEDSA-N 2 0 287.451 2.866 20 0 CFADRP CC(C)=CCC[C@@H](C)CN(CC[NH+](C)C)C1CC[NH2+]CC1 ZINC001236911777 778981559 /nfs/dbraw/zinc/98/15/59/778981559.db2.gz INFMWSKZTQELII-QGZVFWFLSA-N 2 0 295.515 2.985 20 0 CFADRP CCCC[C@@H](CC)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236923976 778981572 /nfs/dbraw/zinc/98/15/72/778981572.db2.gz NKJGLBVAQCZRSA-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP CC(C)=CCC[C@H](C)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236925024 778982687 /nfs/dbraw/zinc/98/26/87/778982687.db2.gz VTGIRXNONZGETL-ZWKOTPCHSA-N 2 0 295.515 2.985 20 0 CFADRP CC1(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]CC1 ZINC001236951119 778984746 /nfs/dbraw/zinc/98/47/46/778984746.db2.gz UOXQIQMTVWIHQV-MRXNPFEDSA-N 2 0 292.398 2.669 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)ccc1C ZINC001237082331 779006450 /nfs/dbraw/zinc/00/64/50/779006450.db2.gz PCUPKUVVCSRPHR-KRWDZBQOSA-N 2 0 276.424 2.955 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401061228 779030574 /nfs/dbraw/zinc/03/05/74/779030574.db2.gz XECSNYJKKMOCAS-LUKYLMHMSA-N 2 0 288.435 2.740 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@@H+]2CC2(F)CC[NH2+]CC2)cc1 ZINC001237250642 779061013 /nfs/dbraw/zinc/06/10/13/779061013.db2.gz WPYOWKYWGOXSQN-INIZCTEOSA-N 2 0 294.389 2.924 20 0 CFADRP CC(C)[N@H+](Cc1cc(O)cc(F)c1)C1CCN(C)CC1 ZINC001237286880 779070519 /nfs/dbraw/zinc/07/05/19/779070519.db2.gz LMTVFKCCEAGLRA-UHFFFAOYSA-N 2 0 280.387 2.836 20 0 CFADRP CC1(C[NH+]2CCC3(Cc4ccccc4N3)CC2)CC[NH2+]CC1 ZINC001237329439 779077211 /nfs/dbraw/zinc/07/72/11/779077211.db2.gz PQKBSEKIUBPSMK-UHFFFAOYSA-N 2 0 299.462 2.879 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(Cc4ccccc4N3)CC2)C1 ZINC001237332495 779079476 /nfs/dbraw/zinc/07/94/76/779079476.db2.gz DBELHTPBKGKHAB-MRXNPFEDSA-N 2 0 299.462 2.831 20 0 CFADRP [NH3+][C@H]1CCC12CC[NH+](Cc1ccc3c(c1)CCCN3)CC2 ZINC001237356943 779082752 /nfs/dbraw/zinc/08/27/52/779082752.db2.gz PIXVTHXIXLJDMH-KRWDZBQOSA-N 2 0 285.435 2.748 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237380740 779086577 /nfs/dbraw/zinc/08/65/77/779086577.db2.gz HIIWGSCSBMAIRC-DLBZAZTESA-N 2 0 258.409 2.611 20 0 CFADRP FC(F)Oc1ccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237383097 779087145 /nfs/dbraw/zinc/08/71/45/779087145.db2.gz ODWZILCKJSWQBM-DZGCQCFKSA-N 2 0 296.361 2.862 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237384695 779089589 /nfs/dbraw/zinc/08/95/89/779089589.db2.gz XHMRAHAUYFHOPA-TZMCWYRMSA-N 2 0 250.411 2.630 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c2c1 ZINC001237388135 779091008 /nfs/dbraw/zinc/09/10/08/779091008.db2.gz CKAFJRCGXPOXMH-DOTOQJQBSA-N 2 0 281.403 2.809 20 0 CFADRP Cn1ccc2c1cccc2C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237388381 779091188 /nfs/dbraw/zinc/09/11/88/779091188.db2.gz DARFJTRYTVBLIJ-NVXWUHKLSA-N 2 0 283.419 2.752 20 0 CFADRP COc1cc(C)cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237406902 779099807 /nfs/dbraw/zinc/09/98/07/779099807.db2.gz WCRQTZZKPXDXJO-WBVHZDCISA-N 2 0 274.408 2.578 20 0 CFADRP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H]([NH3+])CC3)c2c1 ZINC001205093507 779160183 /nfs/dbraw/zinc/16/01/83/779160183.db2.gz BFSVMMGYGPBSEH-AWEZNQCLSA-N 2 0 257.381 2.790 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC001205094186 779166505 /nfs/dbraw/zinc/16/65/05/779166505.db2.gz KBCAXCPGZIRIKD-GFCCVEGCSA-N 2 0 270.323 2.601 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2)C1CN(C)C1 ZINC001237888771 779200514 /nfs/dbraw/zinc/20/05/14/779200514.db2.gz DQBZPQMJHNROBJ-UHFFFAOYSA-N 2 0 299.462 2.824 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](CCCOCc1ccccc1)CC2 ZINC001278173230 779222207 /nfs/dbraw/zinc/22/22/07/779222207.db2.gz LBVRFPSFILBEBN-UHFFFAOYSA-N 2 0 288.435 2.621 20 0 CFADRP CC(C)(C)[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699263998 779228870 /nfs/dbraw/zinc/22/88/70/779228870.db2.gz NEUFPPYSPNBIMB-WIGRTHMWSA-N 2 0 250.430 2.885 20 0 CFADRP FCC[C@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699297852 779238741 /nfs/dbraw/zinc/23/87/41/779238741.db2.gz BMUHMGSABNVPBE-FFHGMXDLSA-N 2 0 254.393 2.589 20 0 CFADRP FC(F)(F)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699306084 779240567 /nfs/dbraw/zinc/24/05/67/779240567.db2.gz SZKSRRDSXJVTCE-VGPLMAKISA-N 2 0 276.346 2.791 20 0 CFADRP FC(F)(F)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699305757 779240868 /nfs/dbraw/zinc/24/08/68/779240868.db2.gz RCOFDJVMCZOQIH-HYWTVENDSA-N 2 0 276.346 2.791 20 0 CFADRP c1[nH+]cn2c1cccc2CN1CC[NH+](C2CCCCC2)CC1 ZINC001238102790 779252932 /nfs/dbraw/zinc/25/29/32/779252932.db2.gz ILXKZQJLLQAWNP-UHFFFAOYSA-N 2 0 298.434 2.785 20 0 CFADRP FCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001278205124 779285868 /nfs/dbraw/zinc/28/58/68/779285868.db2.gz ACMJLEKUPFGBQU-IYBDPMFKSA-N 2 0 293.430 2.908 20 0 CFADRP C[C@H]1C[N@H+](CCc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205131192 779285924 /nfs/dbraw/zinc/28/59/24/779285924.db2.gz SWHNNKQGRFAQIC-WCQYABFASA-N 2 0 286.341 2.775 20 0 CFADRP C(C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1)C1CCCCC1 ZINC001235005268 779302754 /nfs/dbraw/zinc/30/27/54/779302754.db2.gz DQSXFARKAWTDAD-QGZVFWFLSA-N 2 0 280.456 2.659 20 0 CFADRP COc1cccc(CC[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000715237672 779305512 /nfs/dbraw/zinc/30/55/12/779305512.db2.gz YAJUHNFEPPWSEX-UHFFFAOYSA-N 2 0 276.424 2.700 20 0 CFADRP CC(C)Cc1ccc(CN2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235254527 779333829 /nfs/dbraw/zinc/33/38/29/779333829.db2.gz BWSWUFSWLRUVPU-IRXDYDNUSA-N 2 0 258.409 2.679 20 0 CFADRP c1ccc(CCCCC[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235263176 779334365 /nfs/dbraw/zinc/33/43/65/779334365.db2.gz STHLHBOCDCZNLE-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP COc1cc(C)c(C)cc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001238767514 779385391 /nfs/dbraw/zinc/38/53/91/779385391.db2.gz QNDBAPWEZWUZNF-GOSISDBHSA-N 2 0 288.435 2.840 20 0 CFADRP c1cc([C@@H]2CCC[NH2+]C2)ccc1C1=CCC[NH2+]CC1 ZINC001238945462 779423498 /nfs/dbraw/zinc/42/34/98/779423498.db2.gz BGZVEDPQMLZJLG-QGZVFWFLSA-N 2 0 256.393 2.920 20 0 CFADRP CC[NH+](CC)Cc1cncc(C2=CCC[NH2+]CC2)c1 ZINC001238948048 779424120 /nfs/dbraw/zinc/42/41/20/779424120.db2.gz UXQRBBSNCNWSBY-UHFFFAOYSA-N 2 0 259.397 2.690 20 0 CFADRP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC001236833655 779644333 /nfs/dbraw/zinc/64/43/33/779644333.db2.gz ZMUFBQRPSGBQJG-LNSITVRQSA-N 2 0 264.800 2.818 20 0 CFADRP C[N@@H+]1CCCC[C@H]1c1ccc(-c2cncc(C[NH3+])c2)nc1 ZINC001239790739 779774660 /nfs/dbraw/zinc/77/46/60/779774660.db2.gz RELJTNZQZFQCQY-KRWDZBQOSA-N 2 0 282.391 2.759 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc([C@H]3CCC[NH2+]C3)cc2)c1 ZINC001239803574 779785386 /nfs/dbraw/zinc/78/53/86/779785386.db2.gz DLTOFXXEWMLVOG-INIZCTEOSA-N 2 0 267.376 2.674 20 0 CFADRP c1ccc2c(c1)cncc2-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239947295 779878564 /nfs/dbraw/zinc/87/85/64/779878564.db2.gz OZKILXWFQOVKSK-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP CCCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115698306 779888191 /nfs/dbraw/zinc/88/81/91/779888191.db2.gz ZMLPIKABTFQRAN-UHFFFAOYSA-N 2 0 297.487 2.537 20 0 CFADRP Cc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)[nH+]c1N ZINC001168546910 779931110 /nfs/dbraw/zinc/93/11/10/779931110.db2.gz YVCFHSFDUTXCBD-GFCCVEGCSA-N 2 0 268.364 2.556 20 0 CFADRP Nc1[nH]c2ccc(N3C[C@H](CC[NH3+])c4ccccc43)cc2[nH+]1 ZINC001168547887 779932822 /nfs/dbraw/zinc/93/28/22/779932822.db2.gz BFOPPQIMLUJYLO-NSHDSACASA-N 2 0 293.374 2.729 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715514190 780009211 /nfs/dbraw/zinc/00/92/11/780009211.db2.gz UKSJUQPCAASGTJ-RDBSUJKOSA-N 2 0 250.386 2.673 20 0 CFADRP c1cc2c[nH+]cc(-c3cccc(CN4CC[NH2+]CC4)c3)c2[nH]1 ZINC001240243431 780024744 /nfs/dbraw/zinc/02/47/44/780024744.db2.gz COGHXKRFLMIFTP-UHFFFAOYSA-N 2 0 292.386 2.635 20 0 CFADRP C[C@H]([NH3+])c1cccc(-c2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001240247850 780028023 /nfs/dbraw/zinc/02/80/23/780028023.db2.gz PIIQZZBDEHUKSL-HNNXBMFYSA-N 2 0 295.430 2.779 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc(C)c1Cl ZINC001205248954 780037474 /nfs/dbraw/zinc/03/74/74/780037474.db2.gz UONZDGIABHUORL-MRXNPFEDSA-N 2 0 296.842 2.633 20 0 CFADRP [NH3+]Cc1ccc(-c2cccc(CC[NH+]3CCOCC3)c2)cc1 ZINC001240265502 780038703 /nfs/dbraw/zinc/03/87/03/780038703.db2.gz JJVIMPZDKBGKDS-UHFFFAOYSA-N 2 0 296.414 2.687 20 0 CFADRP Cc1nn(C)cc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001240303112 780058775 /nfs/dbraw/zinc/05/87/75/780058775.db2.gz RWVAADAUDUOSOY-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP COc1ccc(CC[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000715544610 780142235 /nfs/dbraw/zinc/14/22/35/780142235.db2.gz RXOMKCNJUJYTEJ-UHFFFAOYSA-N 2 0 276.424 2.700 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000715545374 780142638 /nfs/dbraw/zinc/14/26/38/780142638.db2.gz VZUUGWKBGNWSLJ-HIFPTAJRSA-N 2 0 260.372 2.884 20 0 CFADRP Cc1nc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)sc1C ZINC000715582423 780173865 /nfs/dbraw/zinc/17/38/65/780173865.db2.gz FDCWDXKJEYZWBH-CHWSQXEVSA-N 2 0 267.442 2.722 20 0 CFADRP Cn1ccc2ccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cc21 ZINC001240574573 780265983 /nfs/dbraw/zinc/26/59/83/780265983.db2.gz ROVAKIBIVHDOKM-UHFFFAOYSA-N 2 0 292.386 2.650 20 0 CFADRP c1nc2ccc(C3=CCC[NH2+]C3)cc2n1[C@@H]1CCC[NH2+]CC1 ZINC001240658892 780332200 /nfs/dbraw/zinc/33/22/00/780332200.db2.gz LBJLWDPKIFVNLT-MRXNPFEDSA-N 2 0 296.418 2.728 20 0 CFADRP c1cc(C2=CCC[NH2+]C2)cc2c1CCC21CC[NH2+]CC1 ZINC001240659849 780332629 /nfs/dbraw/zinc/33/26/29/780332629.db2.gz YVTNBMGJVSTTNL-UHFFFAOYSA-N 2 0 268.404 2.631 20 0 CFADRP c1[nH]c([C@@H]2CCC[NH2+]2)nc1-c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240670177 780343515 /nfs/dbraw/zinc/34/35/15/780343515.db2.gz WRCTYJKKIBVUNW-INIZCTEOSA-N 2 0 294.402 2.878 20 0 CFADRP Cc1ncccc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001240730369 780396787 /nfs/dbraw/zinc/39/67/87/780396787.db2.gz LJWDRAWVZNHDHI-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000453059125 780411309 /nfs/dbraw/zinc/41/13/09/780411309.db2.gz ASQSJXJRTKPUKX-IAGOWNOFSA-N 2 0 288.435 2.795 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C12CCC2 ZINC000453191863 780421718 /nfs/dbraw/zinc/42/17/18/780421718.db2.gz FXMHNBKOQHIWHS-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C12CCC2 ZINC000453232761 780425407 /nfs/dbraw/zinc/42/54/07/780425407.db2.gz USQPYEWPINUYSS-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000453262347 780429275 /nfs/dbraw/zinc/42/92/75/780429275.db2.gz XVHSFJXZRVFVOZ-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP CN(C)c1cc[nH+]c(-c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001240848764 780474529 /nfs/dbraw/zinc/47/45/29/780474529.db2.gz GMBYFVDWERLFNH-UHFFFAOYSA-N 2 0 296.418 2.566 20 0 CFADRP Cc1cc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)n(C)n1 ZINC001240859403 780483371 /nfs/dbraw/zinc/48/33/71/780483371.db2.gz DTWKDXDZPYLBQK-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168729195 780553449 /nfs/dbraw/zinc/55/34/49/780553449.db2.gz WWANBMDXEKYXRK-QLFBSQMISA-N 2 0 290.838 2.691 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000700313416 780677114 /nfs/dbraw/zinc/67/71/14/780677114.db2.gz NUKVPIQYEOMILM-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3ccncc3F)c2)CC1 ZINC001241227412 780715867 /nfs/dbraw/zinc/71/58/67/780715867.db2.gz BHDVJKNNAJRIBY-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP CCOc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C)c1 ZINC001241271486 780747805 /nfs/dbraw/zinc/74/78/05/780747805.db2.gz FRLBOEPKAGOBLW-UHFFFAOYSA-N 2 0 297.402 2.865 20 0 CFADRP C[NH2+]Cc1cc(-c2ccc(C[NH+]3CCCCC3)cc2)ncn1 ZINC001241387671 780841111 /nfs/dbraw/zinc/84/11/11/780841111.db2.gz ZTWBDBHCKOZVAH-UHFFFAOYSA-N 2 0 296.418 2.849 20 0 CFADRP CCc1nnc(C[NH2+][C@H](C)CCC[NH+](CC)CC)s1 ZINC000702706034 780944903 /nfs/dbraw/zinc/94/49/03/780944903.db2.gz BDFSSCMOPCNAIF-GFCCVEGCSA-N 2 0 284.473 2.701 20 0 CFADRP CCCC[N@H+](C)CCC[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168754753 780961292 /nfs/dbraw/zinc/96/12/92/780961292.db2.gz KLIAPGOBDQCALF-UHFFFAOYSA-N 2 0 298.471 2.820 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C)(O)CC1 ZINC000702996381 780975038 /nfs/dbraw/zinc/97/50/38/780975038.db2.gz LMFFMTQXOBUWBO-QQFBHYJXSA-N 2 0 268.445 2.534 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2ncc3c(n2)CC[NH2+]C3)cc1 ZINC001241572597 780990873 /nfs/dbraw/zinc/99/08/73/780990873.db2.gz CRLVXOFCERFBQS-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703578685 781034866 /nfs/dbraw/zinc/03/48/66/781034866.db2.gz VSQZPDXUICJJPU-HZSPNIEDSA-N 2 0 270.486 2.742 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNCc2ccc(Cl)cn2)C1 ZINC000703885091 781075057 /nfs/dbraw/zinc/07/50/57/781075057.db2.gz CLVJUMHURHBCJN-LBPRGKRZSA-N 2 0 267.804 2.557 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC001241911541 781176923 /nfs/dbraw/zinc/17/69/23/781176923.db2.gz NCDMAHWRALWXCF-OAHLLOKOSA-N 2 0 253.349 2.632 20 0 CFADRP COc1ccc(-c2ccc(C[NH3+])cc2)cc1C[NH+](C)C ZINC001241914806 781179247 /nfs/dbraw/zinc/17/92/47/781179247.db2.gz GMSNXUGWYFUKNT-UHFFFAOYSA-N 2 0 270.376 2.883 20 0 CFADRP C[NH+](C)Cc1c[nH]c2nccc(-c3ccc(C[NH3+])cc3)c12 ZINC001241915133 781179272 /nfs/dbraw/zinc/17/92/72/781179272.db2.gz QMZLPSPLFPKBCC-UHFFFAOYSA-N 2 0 280.375 2.702 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH2+]C)C12CCCCC2 ZINC001118059455 781199074 /nfs/dbraw/zinc/19/90/74/781199074.db2.gz SDYPDOIQAWSZDT-RRFJBIMHSA-N 2 0 268.445 2.702 20 0 CFADRP C=Cc1cccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001241956414 781204129 /nfs/dbraw/zinc/20/41/29/781204129.db2.gz MVYQBFKJMPAMEU-UHFFFAOYSA-N 2 0 265.360 2.801 20 0 CFADRP CC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCC1 ZINC000706873145 781206960 /nfs/dbraw/zinc/20/69/60/781206960.db2.gz TUYQPFJUOCRZKW-UHFFFAOYSA-N 2 0 250.411 2.768 20 0 CFADRP c1cc2c[nH+]cc(-c3ccc(CN4CC[NH2+]CC4)cc3)c2[nH]1 ZINC001241978502 781214106 /nfs/dbraw/zinc/21/41/06/781214106.db2.gz FDNSYQBBQCZAPU-UHFFFAOYSA-N 2 0 292.386 2.635 20 0 CFADRP [NH3+]C1(c2cccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CCC1 ZINC001242025608 781239558 /nfs/dbraw/zinc/23/95/58/781239558.db2.gz QWBFLFYUILVNJW-CVEARBPZSA-N 2 0 254.377 2.932 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000707284317 781243293 /nfs/dbraw/zinc/24/32/93/781243293.db2.gz NADZETGKSKPRCX-DKUMPPAJSA-N 2 0 268.470 2.590 20 0 CFADRP CS[C@@H]1CCCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000707286467 781243358 /nfs/dbraw/zinc/24/33/58/781243358.db2.gz YLUJYWPHWUXCCV-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP CS[C@H]1CCCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000707286468 781243419 /nfs/dbraw/zinc/24/34/19/781243419.db2.gz YLUJYWPHWUXCCV-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709703492 781302643 /nfs/dbraw/zinc/30/26/43/781302643.db2.gz UVRMHUQCNNUBTL-KGLIPLIRSA-N 2 0 270.461 2.885 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H]2CC(C)(C)OC2(C)C)CC[C@@H]1[NH3+] ZINC000709733919 781304594 /nfs/dbraw/zinc/30/45/94/781304594.db2.gz UQLCUJMRJKKSML-MCIONIFRSA-N 2 0 268.445 2.639 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(O)c1)CC2 ZINC000709313711 781309092 /nfs/dbraw/zinc/30/90/92/781309092.db2.gz KRDFBBUNHYFMMI-UHFFFAOYSA-N 2 0 274.408 2.700 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000709578601 781314509 /nfs/dbraw/zinc/31/45/09/781314509.db2.gz NHNVIDIJDJRCLA-NEPJUHHUSA-N 2 0 264.335 2.650 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cccnc1Cl ZINC000710760986 781337989 /nfs/dbraw/zinc/33/79/89/781337989.db2.gz WEWQMQMXWMXTBQ-UHFFFAOYSA-N 2 0 255.793 2.686 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000710560520 781318391 /nfs/dbraw/zinc/31/83/91/781318391.db2.gz FNQIEBZQBWOHCB-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC(F)F ZINC000710410462 781333482 /nfs/dbraw/zinc/33/34/82/781333482.db2.gz DYCQMJNGSVBMOK-NEPJUHHUSA-N 2 0 260.372 2.884 20 0 CFADRP Cn1cc(C[N@H+](C)CCCCCC[NH3+])c(C(C)(C)C)n1 ZINC000710684139 781335155 /nfs/dbraw/zinc/33/51/55/781335155.db2.gz UAWVLXWTKDCBFT-UHFFFAOYSA-N 2 0 280.460 2.669 20 0 CFADRP COc1ccc(C[N@H+](C)CCCCCC[NH3+])cc1OC ZINC000710682974 781335548 /nfs/dbraw/zinc/33/55/48/781335548.db2.gz FLOMYBPOOVBVKC-UHFFFAOYSA-N 2 0 280.412 2.655 20 0 CFADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCC2(CCCC2)O1 ZINC000710821050 781340630 /nfs/dbraw/zinc/34/06/30/781340630.db2.gz YAWNZAOXVGCYIW-HNNXBMFYSA-N 2 0 268.445 2.929 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCc1ccc2c(c1)CCO2 ZINC000710841192 781341310 /nfs/dbraw/zinc/34/13/10/781341310.db2.gz GJBNCTCVLHTNEC-UHFFFAOYSA-N 2 0 276.424 2.615 20 0 CFADRP CC1(C)CCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000710942016 781348876 /nfs/dbraw/zinc/34/88/76/781348876.db2.gz SLUMVRVJLPNCRL-UHFFFAOYSA-N 2 0 250.411 2.768 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000711170735 781394511 /nfs/dbraw/zinc/39/45/11/781394511.db2.gz VZRXIALITXSTOK-QKPAOTATSA-N 2 0 250.430 2.885 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)OC1 ZINC000711338448 781413843 /nfs/dbraw/zinc/41/38/43/781413843.db2.gz BJAGFNYCEDEZID-UHOFOFEASA-N 2 0 274.408 2.926 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000711412040 781429287 /nfs/dbraw/zinc/42/92/87/781429287.db2.gz AJMUVLBMEWMZOC-HNNXBMFYSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000699363092 781521298 /nfs/dbraw/zinc/52/12/98/781521298.db2.gz QOVUFCSCBUWJIB-PMPSAXMXSA-N 2 0 274.408 2.670 20 0 CFADRP [NH3+]Cc1c[nH]c2ccc(-c3ccc4c(c3)C[NH2+]C4)cc12 ZINC001242677970 781694159 /nfs/dbraw/zinc/69/41/59/781694159.db2.gz UEKFXOZXLRUGJL-UHFFFAOYSA-N 2 0 263.344 2.897 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC001242727817 781724811 /nfs/dbraw/zinc/72/48/11/781724811.db2.gz FYJAIBDKPYTOSA-UHFFFAOYSA-N 2 0 298.434 2.878 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC001119618484 781839355 /nfs/dbraw/zinc/83/93/55/781839355.db2.gz LJUHXQRAWHZJPH-QGZVFWFLSA-N 2 0 274.408 2.974 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccccc2Cn2cc[nH+]c2N)cc1 ZINC001242993376 781906411 /nfs/dbraw/zinc/90/64/11/781906411.db2.gz QTBKXNCXEQNWPW-UHFFFAOYSA-N 2 0 292.386 2.900 20 0 CFADRP C[NH2+]Cc1ccc(-c2cccc(Cn3cc[nH+]c3N)c2)cc1 ZINC001242993545 781906442 /nfs/dbraw/zinc/90/64/42/781906442.db2.gz SZLBFFRXWDNGSG-UHFFFAOYSA-N 2 0 292.386 2.900 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccccc2CN2CC[C@@H]([NH3+])C2)c1 ZINC001242998793 781913030 /nfs/dbraw/zinc/91/30/30/781913030.db2.gz ZGOFNJJLCBMEBC-GOSISDBHSA-N 2 0 295.430 2.606 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000340281709 282082376 /nfs/dbraw/zinc/08/23/76/282082376.db2.gz HDJMJSQIJPMUSN-ZDUSSCGKSA-N 2 0 260.372 2.695 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000278771239 282084116 /nfs/dbraw/zinc/08/41/16/282084116.db2.gz PGLILUNVGAYFML-INIZCTEOSA-N 2 0 261.413 2.865 20 0 CFADRP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000594621878 349466113 /nfs/dbraw/zinc/46/61/13/349466113.db2.gz CUKANYSCTSWITG-MRXNPFEDSA-N 2 0 298.471 2.815 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000124508494 187140806 /nfs/dbraw/zinc/14/08/06/187140806.db2.gz XKZIHNSPZNJGKW-CKEIUWERSA-N 2 0 294.414 2.913 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000311636939 282108638 /nfs/dbraw/zinc/10/86/38/282108638.db2.gz ALSBUFMVVNTZLR-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c2ccccc2n1 ZINC000124937765 187162177 /nfs/dbraw/zinc/16/21/77/187162177.db2.gz XEFMLYAXILQUSZ-OAHLLOKOSA-N 2 0 283.419 2.927 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)C1 ZINC000273073190 192036915 /nfs/dbraw/zinc/03/69/15/192036915.db2.gz NQTSSEIGWWDRTR-LSDHHAIUSA-N 2 0 276.424 2.996 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450410507 282122021 /nfs/dbraw/zinc/12/20/21/282122021.db2.gz ZBERRRNOWQQNPC-QWHCGFSZSA-N 2 0 260.372 2.695 20 0 CFADRP FCCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423142451 282952389 /nfs/dbraw/zinc/95/23/89/282952389.db2.gz VGKACXBLXYMTFY-GOEBONIOSA-N 2 0 278.371 2.582 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595011710 349549157 /nfs/dbraw/zinc/54/91/57/349549157.db2.gz LHRFAHHXUSJSRJ-KBPBESRZSA-N 2 0 276.465 2.788 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000595016075 349550755 /nfs/dbraw/zinc/55/07/55/349550755.db2.gz PRUVGKBPESQSEV-GFCCVEGCSA-N 2 0 274.449 2.684 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000595022895 349554077 /nfs/dbraw/zinc/55/40/77/349554077.db2.gz QGPHIJJASFVVMA-HSBZDZAISA-N 2 0 276.465 2.788 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000595003835 349544248 /nfs/dbraw/zinc/54/42/48/349544248.db2.gz LEGRCLFHCJUZOB-UONOGXRCSA-N 2 0 276.465 2.932 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125291965 187178138 /nfs/dbraw/zinc/17/81/38/187178138.db2.gz SOMPEGLAVDHBMY-JMGFVUJMSA-N 2 0 262.372 2.946 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000358347808 293090081 /nfs/dbraw/zinc/09/00/81/293090081.db2.gz GCUACNVSPPXGIW-GPANFISMSA-N 2 0 270.461 2.758 20 0 CFADRP CCC(CC)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378375532 282163503 /nfs/dbraw/zinc/16/35/03/282163503.db2.gz YOWLDMNXNMZICB-OWCLPIDISA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414821267 529424808 /nfs/dbraw/zinc/42/48/08/529424808.db2.gz ASPTXPHYZDRWNX-IAGOWNOFSA-N 2 0 260.425 2.905 20 0 CFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414795196 529426318 /nfs/dbraw/zinc/42/63/18/529426318.db2.gz MVJFNCWMVNQPTK-HUUCEWRRSA-N 2 0 294.439 2.598 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000336179770 282188262 /nfs/dbraw/zinc/18/82/62/282188262.db2.gz KSSCNEOQJPHVKT-NEPJUHHUSA-N 2 0 265.788 2.716 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000070074730 346906156 /nfs/dbraw/zinc/90/61/56/346906156.db2.gz BYYKTJLIRRXDLQ-NEPJUHHUSA-N 2 0 252.427 2.870 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000070169554 346906663 /nfs/dbraw/zinc/90/66/63/346906663.db2.gz BOWQHSADXYFYAR-GFCCVEGCSA-N 2 0 252.427 2.871 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000070171510 346907120 /nfs/dbraw/zinc/90/71/20/346907120.db2.gz OKDHXHFCZZIJIL-KGLIPLIRSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000070171508 346907360 /nfs/dbraw/zinc/90/73/60/346907360.db2.gz OKDHXHFCZZIJIL-ZIAGYGMSSA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000070188299 346908017 /nfs/dbraw/zinc/90/80/17/346908017.db2.gz QAIKECIRYUONRO-UHFFFAOYSA-N 2 0 292.814 2.549 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC000422912590 529554477 /nfs/dbraw/zinc/55/44/77/529554477.db2.gz NMCZPIWGTGKASL-PBHICJAKSA-N 2 0 285.435 2.990 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCCCC1 ZINC000423411020 529591897 /nfs/dbraw/zinc/59/18/97/529591897.db2.gz SYNNMWRURJIWCW-INIZCTEOSA-N 2 0 282.472 2.951 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)[C@@H]1C[C@@H]1C ZINC000414165049 529592442 /nfs/dbraw/zinc/59/24/42/529592442.db2.gz PASZNXFSBKMFES-MJBXVCDLSA-N 2 0 270.486 2.838 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CC1(C)C ZINC000414115523 529593370 /nfs/dbraw/zinc/59/33/70/529593370.db2.gz NCRKJIMTFIKNBU-SJORKVTESA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423238377 529606456 /nfs/dbraw/zinc/60/64/56/529606456.db2.gz ACHOKSSUHWNZBL-CJNGLKHVSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423147295 529621816 /nfs/dbraw/zinc/62/18/16/529621816.db2.gz CHBFCIFBECSLAZ-YHUYYLMFSA-N 2 0 268.445 2.558 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccncc1 ZINC000414195451 529629729 /nfs/dbraw/zinc/62/97/29/529629729.db2.gz WKKYXGIQLUDCJF-INIZCTEOSA-N 2 0 266.348 2.970 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422753493 529629878 /nfs/dbraw/zinc/62/98/78/529629878.db2.gz IKYIZXARCKMXCF-PBHICJAKSA-N 2 0 260.425 2.769 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000070941034 346917624 /nfs/dbraw/zinc/91/76/24/346917624.db2.gz PQBVBVGFLQZGDH-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000423147292 529615106 /nfs/dbraw/zinc/61/51/06/529615106.db2.gz CHBFCIFBECSLAZ-UGUYLWEFSA-N 2 0 268.445 2.558 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000071297763 346921416 /nfs/dbraw/zinc/92/14/16/346921416.db2.gz CZALRSGCBZOGEE-HOTGVXAUSA-N 2 0 296.455 2.574 20 0 CFADRP CCc1cnc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)s1 ZINC000414697801 529645112 /nfs/dbraw/zinc/64/51/12/529645112.db2.gz CBHDSIMHESDWHL-NEPJUHHUSA-N 2 0 267.442 2.525 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414781682 529646522 /nfs/dbraw/zinc/64/65/22/529646522.db2.gz NLLDYOXMGVZAEW-OLZOCXBDSA-N 2 0 279.453 2.527 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000423112380 529650084 /nfs/dbraw/zinc/65/00/84/529650084.db2.gz XJHMRAHQXBPGMS-OBJOEFQTSA-N 2 0 280.412 2.870 20 0 CFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1C[C@@H]1C ZINC000414163042 529633579 /nfs/dbraw/zinc/63/35/79/529633579.db2.gz MTVWVFFYOPMVMK-BPUTZDHNSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422950850 529638821 /nfs/dbraw/zinc/63/88/21/529638821.db2.gz WSGNVMKUIQYFAO-IHRRRGAJSA-N 2 0 291.439 2.887 20 0 CFADRP C[N@H+](CCN[C@H](c1ncc[nH]1)c1ccccc1)C1CCCC1 ZINC000126739665 187259055 /nfs/dbraw/zinc/25/90/55/187259055.db2.gz XDNUWIAIIQADGL-KRWDZBQOSA-N 2 0 298.434 2.963 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)C[NH+]1CCCC1 ZINC000126726180 187257764 /nfs/dbraw/zinc/25/77/64/187257764.db2.gz AGAQOFAHJVXDKA-GJZGRUSLSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(Br)c1 ZINC000126746343 187260083 /nfs/dbraw/zinc/26/00/83/187260083.db2.gz KYZONWSRIALZHH-ZYHUDNBSSA-N 2 0 283.213 2.618 20 0 CFADRP CCc1ccc([C@@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422731960 529708977 /nfs/dbraw/zinc/70/89/77/529708977.db2.gz OORKMUZSBWYTAR-JCGIZDLHSA-N 2 0 289.467 2.582 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000268982568 536875650 /nfs/dbraw/zinc/87/56/50/536875650.db2.gz PFOIVNLKAMMJTH-OWCLPIDISA-N 2 0 278.440 2.910 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)s1 ZINC000423346438 529729056 /nfs/dbraw/zinc/72/90/56/529729056.db2.gz PFGDNQDXCZUFJK-SNVBAGLBSA-N 2 0 265.426 2.584 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414788818 529736203 /nfs/dbraw/zinc/73/62/03/529736203.db2.gz XJDHFZLUKSFQTC-OLZOCXBDSA-N 2 0 279.453 2.527 20 0 CFADRP C[NH2+]CC1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000063159968 539340399 /nfs/dbraw/zinc/34/03/99/539340399.db2.gz VHTGYHBKXIDVLL-UHFFFAOYSA-N 2 0 282.428 2.849 20 0 CFADRP C[N@H+](CCN[C@@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000422701505 529917968 /nfs/dbraw/zinc/91/79/68/529917968.db2.gz ISSFJSZJENXGAA-HZPDHXFCSA-N 2 0 267.461 2.501 20 0 CFADRP CN(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000420337511 529907213 /nfs/dbraw/zinc/90/72/13/529907213.db2.gz NQAUKRLFJXZQMA-GOSISDBHSA-N 2 0 287.451 2.587 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449091441 534955223 /nfs/dbraw/zinc/95/52/23/534955223.db2.gz JHZTYGSVPOBMEL-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000666172175 539383384 /nfs/dbraw/zinc/38/33/84/539383384.db2.gz PGAIPAYPFCSGIQ-WCQYABFASA-N 2 0 267.442 2.834 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348114180 539386525 /nfs/dbraw/zinc/38/65/25/539386525.db2.gz GGRHXMKZLJOGRS-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000348103909 539386823 /nfs/dbraw/zinc/38/68/23/539386823.db2.gz MWJBSYYASWLNIM-ROUUACIJSA-N 2 0 288.435 2.905 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090764395 539388354 /nfs/dbraw/zinc/38/83/54/539388354.db2.gz DDIJLFYBUWWMOW-NWDGAFQWSA-N 2 0 279.428 2.715 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414857748 529971432 /nfs/dbraw/zinc/97/14/32/529971432.db2.gz FSMPNPAHCZNGKX-NSHDSACASA-N 2 0 274.330 2.836 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000423281405 529986029 /nfs/dbraw/zinc/98/60/29/529986029.db2.gz VKSLRKUVJAZTRZ-CZUORRHYSA-N 2 0 276.424 2.962 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423282036 529986223 /nfs/dbraw/zinc/98/62/23/529986223.db2.gz WFLMWRLKNKRSRL-GHMZBOCLSA-N 2 0 272.339 2.794 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000414839671 529998686 /nfs/dbraw/zinc/99/86/86/529998686.db2.gz MGFSYLBNJDIJKC-NSHDSACASA-N 2 0 290.329 2.573 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000414844398 529998734 /nfs/dbraw/zinc/99/87/34/529998734.db2.gz RCDATWWXVYHGAI-JTQLQIEISA-N 2 0 260.303 2.651 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414853711 529998774 /nfs/dbraw/zinc/99/87/74/529998774.db2.gz SVIJEZLDYOSSRS-HNNXBMFYSA-N 2 0 298.434 2.795 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000414840845 529998790 /nfs/dbraw/zinc/99/87/90/529998790.db2.gz NPYAZSPZYZUFBJ-ZDUSSCGKSA-N 2 0 272.392 2.794 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414846710 529998867 /nfs/dbraw/zinc/99/88/67/529998867.db2.gz UXQRIPAFIPLDIS-STQMWFEESA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423280022 529998888 /nfs/dbraw/zinc/99/88/88/529998888.db2.gz UBNMZIJYAQEZOV-UWVGGRQHSA-N 2 0 258.768 2.985 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423277013 529999352 /nfs/dbraw/zinc/99/93/52/529999352.db2.gz PHKZOTKZCKLJIB-VBQJREDUSA-N 2 0 294.414 2.739 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccccc1SC ZINC000423266163 529999827 /nfs/dbraw/zinc/99/98/27/529999827.db2.gz CYIUQMDSMGOUIM-NWDGAFQWSA-N 2 0 252.427 2.915 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423282672 529999853 /nfs/dbraw/zinc/99/98/53/529999853.db2.gz WQVHJRSKGXLLDE-BFHYXJOUSA-N 2 0 294.439 2.641 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000414176970 530060890 /nfs/dbraw/zinc/06/08/90/530060890.db2.gz IPHPZKYOHBHPFU-QXSJWSMHSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423165625 530061010 /nfs/dbraw/zinc/06/10/10/530061010.db2.gz BHPRQTVDWNGCAU-VSZNYVQBSA-N 3 0 293.499 2.619 20 0 CFADRP CCOc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000226027697 539422578 /nfs/dbraw/zinc/42/25/78/539422578.db2.gz PDRURWCFRISDJL-WMLDXEAASA-N 2 0 292.423 2.523 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000312585528 539444279 /nfs/dbraw/zinc/44/42/79/539444279.db2.gz QFMOIFHDJIMEOE-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347437160 282388337 /nfs/dbraw/zinc/38/83/37/282388337.db2.gz LAHFKLVMBWQAPM-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C[C@@H]1OC ZINC000344073022 282390094 /nfs/dbraw/zinc/39/00/94/282390094.db2.gz CJGGVHUMNVSGAN-GJZGRUSLSA-N 2 0 270.461 2.900 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000127366316 187300956 /nfs/dbraw/zinc/30/09/56/187300956.db2.gz VQWCJZQOOYOHGY-WMZOPIPTSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000089552289 539469943 /nfs/dbraw/zinc/46/99/43/539469943.db2.gz VYVPSZHNYUHPCL-GFCCVEGCSA-N 2 0 298.377 2.664 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000149229254 232212968 /nfs/dbraw/zinc/21/29/68/232212968.db2.gz QEXCFNZIPNBMSM-OAHLLOKOSA-N 2 0 280.843 2.985 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000154624531 232226981 /nfs/dbraw/zinc/22/69/81/232226981.db2.gz SCZHTHWXCDINKJ-ZIAGYGMSSA-N 2 0 262.397 2.830 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000071159154 539504342 /nfs/dbraw/zinc/50/43/42/539504342.db2.gz URQXIWCEZDINKO-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CC1 ZINC000123926447 539512130 /nfs/dbraw/zinc/51/21/30/539512130.db2.gz BUDUVEWNJQUFBF-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000270616721 190745065 /nfs/dbraw/zinc/74/50/65/190745065.db2.gz JEWJZGQNWHWHIQ-ZQNQSHIBSA-N 2 0 296.480 2.878 20 0 CFADRP C/C(=C\c1ccccc1)C[NH2+]CCCn1ccnc1 ZINC000005091026 346210433 /nfs/dbraw/zinc/21/04/33/346210433.db2.gz ZKLQZPFWSRVPMQ-NTCAYCPXSA-N 2 0 255.365 2.966 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000044517709 346394724 /nfs/dbraw/zinc/39/47/24/346394724.db2.gz NOPKUVIDMZAJFT-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1C ZINC000044529177 346395012 /nfs/dbraw/zinc/39/50/12/346395012.db2.gz NIZGBGQMHYIESD-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1 ZINC000596655740 349970480 /nfs/dbraw/zinc/97/04/80/349970480.db2.gz YELQQUPQTFDIBK-OWCLPIDISA-N 2 0 298.471 2.852 20 0 CFADRP CCSCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835458 347101757 /nfs/dbraw/zinc/10/17/57/347101757.db2.gz TVQDNBNTFUSMLX-AWEZNQCLSA-N 2 0 256.459 2.547 20 0 CFADRP CCCCOCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000056494138 346609632 /nfs/dbraw/zinc/60/96/32/346609632.db2.gz UUOAOZSSCZUZHF-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000414960986 282517541 /nfs/dbraw/zinc/51/75/41/282517541.db2.gz HOVVWLHVLXRZCH-HZPDHXFCSA-N 2 0 278.827 2.929 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCO1 ZINC000080170425 347347490 /nfs/dbraw/zinc/34/74/90/347347490.db2.gz CEPJHVCWBBJKQW-QGZVFWFLSA-N 2 0 290.451 2.913 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000086894750 347489265 /nfs/dbraw/zinc/48/92/65/347489265.db2.gz IFSUNBAONIAXHP-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C12CCC2 ZINC000087710705 347498375 /nfs/dbraw/zinc/49/83/75/347498375.db2.gz BBDSABYDPMYJNO-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000088244156 347499979 /nfs/dbraw/zinc/49/99/79/347499979.db2.gz NYJAHOBGKZWWAP-ARFHVFGLSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000090800024 347557576 /nfs/dbraw/zinc/55/75/76/347557576.db2.gz LMLOBQUIZALNAL-HRSCSKTISA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000090937460 347562656 /nfs/dbraw/zinc/56/26/56/347562656.db2.gz XTLJYVNHWSRYKW-KRWDZBQOSA-N 2 0 291.439 2.546 20 0 CFADRP COc1ccsc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093088789 347661642 /nfs/dbraw/zinc/66/16/42/347661642.db2.gz RLPYIXLYBFTRJU-UHFFFAOYSA-N 2 0 268.426 2.530 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000094010162 347689756 /nfs/dbraw/zinc/68/97/56/347689756.db2.gz XFZYRXQWRMYKFR-NEPJUHHUSA-N 2 0 264.335 2.697 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000094009752 347690051 /nfs/dbraw/zinc/69/00/51/347690051.db2.gz GVWYCEGCFUPLOM-GFCCVEGCSA-N 2 0 266.816 2.860 20 0 CFADRP c1coc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000094009977 347690056 /nfs/dbraw/zinc/69/00/56/347690056.db2.gz CTMVPYGNEIFELI-KRWDZBQOSA-N 2 0 270.376 2.958 20 0 CFADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000094010736 347690163 /nfs/dbraw/zinc/69/01/63/347690163.db2.gz JLZFRBOJGGBUIC-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093214614 347665472 /nfs/dbraw/zinc/66/54/72/347665472.db2.gz PDPLMMYWYAJTEG-HZPDHXFCSA-N 2 0 262.397 2.583 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093209481 347665601 /nfs/dbraw/zinc/66/56/01/347665601.db2.gz SDPKWVZVNKPADT-RCCFBDPRSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000396468676 539579574 /nfs/dbraw/zinc/57/95/74/539579574.db2.gz VLWQIBSKDDCMBG-HOCLYGCPSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000396462131 539579870 /nfs/dbraw/zinc/57/98/70/539579870.db2.gz QHNNJZYWJXNBHJ-YVEFUNNKSA-N 2 0 273.424 2.576 20 0 CFADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000130305258 347869519 /nfs/dbraw/zinc/86/95/19/347869519.db2.gz UQMWEAMQVCUKHE-CZUORRHYSA-N 2 0 289.423 2.737 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000131433512 347877894 /nfs/dbraw/zinc/87/78/94/347877894.db2.gz SBIUIANDLNJLPK-GXTWGEPZSA-N 2 0 255.365 2.546 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000131480935 347878945 /nfs/dbraw/zinc/87/89/45/347878945.db2.gz YTHXGHNTWLZKIM-ZFWWWQNUSA-N 2 0 262.397 2.787 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cccc(F)c2)CN1C1CC1 ZINC000128645350 187381798 /nfs/dbraw/zinc/38/17/98/187381798.db2.gz GKNOECUIKOQIBC-WFASDCNBSA-N 2 0 262.372 2.583 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc(Cl)c1F ZINC000136060637 347909201 /nfs/dbraw/zinc/90/92/01/347909201.db2.gz SDRYYGOKAORSQC-MWLCHTKSSA-N 2 0 256.752 2.791 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000668583333 539596442 /nfs/dbraw/zinc/59/64/42/539596442.db2.gz DYIAKMBHVIHGLN-PBHICJAKSA-N 2 0 289.423 2.598 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000157677483 348001775 /nfs/dbraw/zinc/00/17/75/348001775.db2.gz LZXAGRSLXCLCCG-MRXNPFEDSA-N 2 0 276.449 2.660 20 0 CFADRP COCCCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000158211884 348006415 /nfs/dbraw/zinc/00/64/15/348006415.db2.gz FEEQIMSPDKUZJF-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000228496417 348195761 /nfs/dbraw/zinc/19/57/61/348195761.db2.gz WARTWCQEWCLGCG-QMTHXVAHSA-N 2 0 280.799 2.587 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237120363 348238275 /nfs/dbraw/zinc/23/82/75/348238275.db2.gz HDFGXMRRCTVASN-INIZCTEOSA-N 2 0 297.402 2.825 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000248874166 348278636 /nfs/dbraw/zinc/27/86/36/348278636.db2.gz IUQKLKCHPFAUCF-YOEHRIQHSA-N 2 0 273.424 2.865 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000252204983 348295397 /nfs/dbraw/zinc/29/53/97/348295397.db2.gz UYBYIFRATWXNRL-LVQVYYBASA-N 2 0 268.445 2.797 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000252691693 348297627 /nfs/dbraw/zinc/29/76/27/348297627.db2.gz YTHXGHNTWLZKIM-UKRRQHHQSA-N 2 0 262.397 2.787 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000677242330 539622676 /nfs/dbraw/zinc/62/26/76/539622676.db2.gz XTTZIQRWMAKRGQ-GJZGRUSLSA-N 2 0 280.362 2.724 20 0 CFADRP CCC[NH+]1CCC(NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000125719988 539641628 /nfs/dbraw/zinc/64/16/28/539641628.db2.gz CDKXXQIPEGHULU-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000401930153 348579736 /nfs/dbraw/zinc/57/97/36/348579736.db2.gz VMLUWLZOXZWQBR-ATLSCFEFSA-N 2 0 288.435 2.664 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000125853008 539653047 /nfs/dbraw/zinc/65/30/47/539653047.db2.gz FDIPXNWSGFHCNF-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000211894128 539653193 /nfs/dbraw/zinc/65/31/93/539653193.db2.gz GZYKFGNPDGTPQI-OAHLLOKOSA-N 2 0 250.361 2.744 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000400010947 348570840 /nfs/dbraw/zinc/57/08/40/348570840.db2.gz FAYMYFRKDDWQJJ-XJCPWDRGSA-N 2 0 250.430 2.920 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090771452 539656555 /nfs/dbraw/zinc/65/65/55/539656555.db2.gz PHIUUFTZQSQXHH-VUROTCPHSA-N 2 0 280.456 2.939 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090764389 539656703 /nfs/dbraw/zinc/65/67/03/539656703.db2.gz DDIJLFYBUWWMOW-RYUDHWBXSA-N 2 0 279.428 2.715 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000584829912 348720051 /nfs/dbraw/zinc/72/00/51/348720051.db2.gz BFFNVHMHLZWDBF-WBVHZDCISA-N 2 0 288.435 2.702 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000560954334 539661226 /nfs/dbraw/zinc/66/12/26/539661226.db2.gz QPOILEOXUVWATM-OLZOCXBDSA-N 2 0 254.324 2.984 20 0 CFADRP CSC1(C[NH2+][C@H](C)CC2CCC2)CC[NH+](C)CC1 ZINC000589348027 348828591 /nfs/dbraw/zinc/82/85/91/348828591.db2.gz FETMDEAHZHYQFG-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]([NH2+]CC1C(C)(C)C1(C)C)C1CC[NH+](C)CC1 ZINC000092805429 539682914 /nfs/dbraw/zinc/68/29/14/539682914.db2.gz SJKCEDTVEAKYAA-LBPRGKRZSA-N 2 0 252.446 2.989 20 0 CFADRP C[C@H](O)C1([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000668699476 539702375 /nfs/dbraw/zinc/70/23/75/539702375.db2.gz PABGLYOWTXVPFZ-YCPHGPKFSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H](O)C1([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000668700648 539703699 /nfs/dbraw/zinc/70/36/99/539703699.db2.gz UNKMRSIGWAXYHJ-IJEWVQPXSA-N 2 0 280.456 2.533 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000591578364 349032137 /nfs/dbraw/zinc/03/21/37/349032137.db2.gz WTZCUDWGHNMKGZ-HRCADAONSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(O)c1 ZINC000414181781 233189065 /nfs/dbraw/zinc/18/90/65/233189065.db2.gz MWNLKVWELQHYBB-ZIAGYGMSSA-N 2 0 262.397 2.775 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1 ZINC000414118890 233171432 /nfs/dbraw/zinc/17/14/32/233171432.db2.gz BWWADQGENQNYSN-JSGCOSHPSA-N 2 0 264.413 2.852 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cncs1 ZINC000414185552 233190324 /nfs/dbraw/zinc/19/03/24/233190324.db2.gz OZZSBBGPGCLGEW-VXGBXAGGSA-N 2 0 253.415 2.526 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)C1CCCCC1 ZINC000668730070 539726101 /nfs/dbraw/zinc/72/61/01/539726101.db2.gz GTRQFFYTOVOQMW-ZFWWWQNUSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccc(F)cc1 ZINC000128146886 539734158 /nfs/dbraw/zinc/73/41/58/539734158.db2.gz DKGRBFXGHVHJAO-KGLIPLIRSA-N 2 0 294.414 2.913 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668738829 539740084 /nfs/dbraw/zinc/74/00/84/539740084.db2.gz GRWVVLZNPMSNBV-NUJGCVRESA-N 2 0 294.483 2.734 20 0 CFADRP C(C[NH+]1CCCCCC1)OCC[NH+]1CCCCCC1 ZINC000196846443 539741602 /nfs/dbraw/zinc/74/16/02/539741602.db2.gz RTOUKYDEMVZNSE-UHFFFAOYSA-N 2 0 268.445 2.755 20 0 CFADRP CSCC[C@H](C)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000597014738 350017205 /nfs/dbraw/zinc/01/72/05/350017205.db2.gz RCNHXPPMCGZOAO-ZDUSSCGKSA-N 2 0 290.436 2.841 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000597257519 350074122 /nfs/dbraw/zinc/07/41/22/350074122.db2.gz UKXIQPNTRPUQTJ-CQSZACIVSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000104437607 186002649 /nfs/dbraw/zinc/00/26/49/186002649.db2.gz RUJNBAXMBIWQNQ-JTQLQIEISA-N 2 0 254.324 2.524 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@H](C)C1 ZINC000090723741 180032639 /nfs/dbraw/zinc/03/26/39/180032639.db2.gz SGVGOUTZZWNXJP-RHSMWYFYSA-N 2 0 276.424 2.824 20 0 CFADRP Cn1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000091008648 180085978 /nfs/dbraw/zinc/08/59/78/180085978.db2.gz SDCQKERNUJVFKA-UHFFFAOYSA-N 2 0 263.429 2.769 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC2(C1)CC(F)(F)C2 ZINC000677733489 539763975 /nfs/dbraw/zinc/76/39/75/539763975.db2.gz LNEXFTFTUFHIOF-GFCCVEGCSA-N 2 0 258.356 2.592 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091284910 180121659 /nfs/dbraw/zinc/12/16/59/180121659.db2.gz NVDVBQAVNBLSGL-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC000414696220 233330207 /nfs/dbraw/zinc/33/02/07/233330207.db2.gz BHHUKDYVCPEICT-OLZOCXBDSA-N 2 0 262.372 2.793 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)CC[NH2+]1 ZINC000414699164 233332335 /nfs/dbraw/zinc/33/23/35/233332335.db2.gz DKQNRGYAAMCGDN-CTASWTNQSA-N 2 0 294.464 2.898 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000414795294 233354648 /nfs/dbraw/zinc/35/46/48/233354648.db2.gz GMODAKMXDJHDMA-BXUZGUMPSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414796238 233355009 /nfs/dbraw/zinc/35/50/09/233355009.db2.gz HDPVDAMUJXTTSY-TZMCWYRMSA-N 2 0 284.350 2.895 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000414800815 233356465 /nfs/dbraw/zinc/35/64/65/233356465.db2.gz LLXXRPSWEXXHNZ-HIFRSBDPSA-N 2 0 298.377 2.938 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000132351091 539775412 /nfs/dbraw/zinc/77/54/12/539775412.db2.gz IQZJZSLPBYZNJD-WMLDXEAASA-N 2 0 260.425 2.721 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCSC[C@@H]2c2nccs2)CC[NH2+]1 ZINC000414763680 233344575 /nfs/dbraw/zinc/34/45/75/233344575.db2.gz XVROAFVFGUWXTH-FRRDWIJNSA-N 2 0 297.493 2.621 20 0 CFADRP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1F ZINC000414761567 233344907 /nfs/dbraw/zinc/34/49/07/233344907.db2.gz UDGQIZCNRJRRCR-DZGCQCFKSA-N 2 0 264.388 2.954 20 0 CFADRP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)ccc1F ZINC000414761569 233345203 /nfs/dbraw/zinc/34/52/03/233345203.db2.gz UDGQIZCNRJRRCR-HIFRSBDPSA-N 2 0 264.388 2.954 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414777992 233348098 /nfs/dbraw/zinc/34/80/98/233348098.db2.gz ISYMPVBSFBFOSV-ZWKOTPCHSA-N 2 0 287.451 2.644 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414779925 233349270 /nfs/dbraw/zinc/34/92/70/233349270.db2.gz KXKLXVBRLLSHHE-ZIAGYGMSSA-N 2 0 291.464 2.842 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000414786114 233350445 /nfs/dbraw/zinc/35/04/45/233350445.db2.gz WUGOWHXNNSJQGN-RDJZCZTQSA-N 2 0 258.409 2.739 20 0 CFADRP c1sc(C2CC2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784262 233351139 /nfs/dbraw/zinc/35/11/39/233351139.db2.gz RBFQIYXSPMRULX-KBPBESRZSA-N 2 0 291.464 2.842 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000414807005 233359536 /nfs/dbraw/zinc/35/95/36/233359536.db2.gz ZYYVEFGYPGCRPJ-WCQYABFASA-N 2 0 288.313 2.802 20 0 CFADRP CCn1nc(C)c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000414806791 233359984 /nfs/dbraw/zinc/35/99/84/233359984.db2.gz IGZSFRDWUIWNLN-LBPRGKRZSA-N 2 0 286.423 2.829 20 0 CFADRP Cc1ncsc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414808925 233360562 /nfs/dbraw/zinc/36/05/62/233360562.db2.gz LNDAPZLPWSTGOA-SNVBAGLBSA-N 2 0 261.394 2.761 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414809174 233360865 /nfs/dbraw/zinc/36/08/65/233360865.db2.gz GJELDWWOELJZIH-CZUORRHYSA-N 2 0 264.413 2.857 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414813362 233362178 /nfs/dbraw/zinc/36/21/78/233362178.db2.gz YFKRXMZNEBDLMY-PWSUYJOCSA-N 2 0 288.313 2.644 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000414815394 233363136 /nfs/dbraw/zinc/36/31/36/233363136.db2.gz XLDYRMGHMBMVGJ-CYBMUJFWSA-N 2 0 298.386 2.767 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000414818221 233364676 /nfs/dbraw/zinc/36/46/76/233364676.db2.gz DFGSAAVZGAJZKC-RYUDHWBXSA-N 2 0 286.366 2.936 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414818879 233365055 /nfs/dbraw/zinc/36/50/55/233365055.db2.gz GBJQDCFEVQVFSN-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414819995 233365589 /nfs/dbraw/zinc/36/55/89/233365589.db2.gz IUFAKPYAWBNUPB-YQQAZPJKSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@H]([NH2+]Cc1cc(Cl)cs1)[C@H]1CCC[NH2+]C1 ZINC000414820838 233365710 /nfs/dbraw/zinc/36/57/10/233365710.db2.gz JZTUIZWRCHTYRH-UWVGGRQHSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000414819946 233365936 /nfs/dbraw/zinc/36/59/36/233365936.db2.gz ZZNGHGTZXBIALQ-AAEUAGOBSA-N 2 0 250.411 2.549 20 0 CFADRP c1ccc(-c2cccc(C[NH2+]CC[C@H]3CC[NH2+]C3)c2)nc1 ZINC000414831763 233370256 /nfs/dbraw/zinc/37/02/56/233370256.db2.gz NVDMBIDVIRXRLI-OAHLLOKOSA-N 2 0 281.403 2.838 20 0 CFADRP c1c2ccccc2sc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414838641 233372573 /nfs/dbraw/zinc/37/25/73/233372573.db2.gz VNTPYGMUOBKWGJ-LBPRGKRZSA-N 2 0 260.406 2.991 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843834 233374829 /nfs/dbraw/zinc/37/48/29/233374829.db2.gz CZCQGKCYNHMQDT-CYBMUJFWSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000414877364 233387132 /nfs/dbraw/zinc/38/71/32/233387132.db2.gz MRQXHAAXHSVJBP-LLVKDONJSA-N 2 0 252.789 2.742 20 0 CFADRP C[C@]1(C[NH2+]Cc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000414896219 233391479 /nfs/dbraw/zinc/39/14/79/233391479.db2.gz BDLDIYKVVVVCMH-AWEZNQCLSA-N 2 0 252.789 2.819 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414893090 233391894 /nfs/dbraw/zinc/39/18/94/233391894.db2.gz RBXPMOHBQUMZGC-QMTHXVAHSA-N 2 0 286.341 2.963 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414899731 233392619 /nfs/dbraw/zinc/39/26/19/233392619.db2.gz HMTVPTHZOHEBKM-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCC[NH2+]C1 ZINC000414902118 233393912 /nfs/dbraw/zinc/39/39/12/233393912.db2.gz KJKDSQUPMATHLG-QGZVFWFLSA-N 2 0 284.407 2.556 20 0 CFADRP Cc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1F ZINC000414911462 233397750 /nfs/dbraw/zinc/39/77/50/233397750.db2.gz UBIMKHFQHIZFGE-OAHLLOKOSA-N 2 0 250.361 2.613 20 0 CFADRP FC(F)(F)c1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000414849320 233377320 /nfs/dbraw/zinc/37/73/20/233377320.db2.gz XZOBRJKGGHNBAQ-VIFPVBQESA-N 2 0 293.358 2.641 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414850091 233377334 /nfs/dbraw/zinc/37/73/34/233377334.db2.gz HPBPREKSMWNKLY-MRXNPFEDSA-N 2 0 274.408 2.565 20 0 CFADRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000414857162 233380400 /nfs/dbraw/zinc/38/04/00/233380400.db2.gz PASMAMCSGRMMKP-TZMCWYRMSA-N 2 0 294.464 2.895 20 0 CFADRP Fc1cc(F)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414962230 233417791 /nfs/dbraw/zinc/41/77/91/233417791.db2.gz BVQPCOQPPTZSMX-CQSZACIVSA-N 2 0 254.324 2.587 20 0 CFADRP c1sc(C2CC2)nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414971431 233421236 /nfs/dbraw/zinc/42/12/36/233421236.db2.gz LFRANHUITXWYNC-LBPRGKRZSA-N 2 0 265.426 2.642 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)CC[NH2+]1 ZINC000414945660 233410249 /nfs/dbraw/zinc/41/02/49/233410249.db2.gz IOUKAFBTRBKWJS-JKSUJKDBSA-N 2 0 276.424 2.966 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414996957 233429522 /nfs/dbraw/zinc/42/95/22/233429522.db2.gz GWGOICDQJGHJFG-HZPDHXFCSA-N 2 0 298.434 2.788 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599071804 350371022 /nfs/dbraw/zinc/37/10/22/350371022.db2.gz TYNWJLCYNTYAJZ-HUUCEWRRSA-N 2 0 298.471 2.676 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000415042800 233445658 /nfs/dbraw/zinc/44/56/58/233445658.db2.gz RFCPEMWBZBGTSO-WMLDXEAASA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000415033189 233441655 /nfs/dbraw/zinc/44/16/55/233441655.db2.gz ITQFHHPYGCDEMU-CABZTGNLSA-N 2 0 256.752 2.696 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245966666 282693463 /nfs/dbraw/zinc/69/34/63/282693463.db2.gz ZCZCTCVQEXVYKG-ARFHVFGLSA-N 2 0 280.456 2.512 20 0 CFADRP COC(=O)CCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360170 350423507 /nfs/dbraw/zinc/42/35/07/350423507.db2.gz SPOMWRVEDKAVOW-HUUCEWRRSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)c2ccccc2n1 ZINC000092345929 180366339 /nfs/dbraw/zinc/36/63/39/180366339.db2.gz PVOILERGESZYSF-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000107958162 186200723 /nfs/dbraw/zinc/20/07/23/186200723.db2.gz BOOJOZFRWUYYJU-NSHDSACASA-N 2 0 252.789 2.899 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119941 186243138 /nfs/dbraw/zinc/24/31/38/186243138.db2.gz MPSFJBQQJKERKN-RTXFEEFZSA-N 2 0 282.334 2.500 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)(C)C ZINC000668785427 539803897 /nfs/dbraw/zinc/80/38/97/539803897.db2.gz QBTGGIJIFMDHMQ-CABCVRRESA-N 2 0 270.461 2.711 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000110643961 186308774 /nfs/dbraw/zinc/30/87/74/186308774.db2.gz NCDNHQBVBDGDFQ-RYUDHWBXSA-N 2 0 250.361 2.946 20 0 CFADRP COc1cc(C)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000110649636 186309575 /nfs/dbraw/zinc/30/95/75/186309575.db2.gz HSJICFZHMRTFRM-ZDUSSCGKSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000110649246 186309659 /nfs/dbraw/zinc/30/96/59/186309659.db2.gz SCLZZIXERURXBA-ZDUSSCGKSA-N 2 0 285.391 2.901 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C(C)(C)O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309808766 539806283 /nfs/dbraw/zinc/80/62/83/539806283.db2.gz VSNWPFXVOPCINY-ZOBUZTSGSA-N 2 0 290.451 2.646 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(SC)CC2)cc1 ZINC000601324913 350724402 /nfs/dbraw/zinc/72/44/02/350724402.db2.gz QFKGWRSZAIULCF-CQSZACIVSA-N 2 0 294.464 2.565 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(SC)CC2)cc1 ZINC000601324910 350724412 /nfs/dbraw/zinc/72/44/12/350724412.db2.gz QFKGWRSZAIULCF-AWEZNQCLSA-N 2 0 294.464 2.565 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)CCO3)CC1 ZINC000111240575 186375107 /nfs/dbraw/zinc/37/51/07/186375107.db2.gz RTIJMHRFXWUUHO-UHFFFAOYSA-N 2 0 288.435 2.928 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000111890440 186464876 /nfs/dbraw/zinc/46/48/76/186464876.db2.gz OYMJDRFSYIKAOW-CYBMUJFWSA-N 2 0 280.387 2.654 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423247684 282983304 /nfs/dbraw/zinc/98/33/04/282983304.db2.gz LOEVONSZOJSQLB-YGRLFVJLSA-N 2 0 266.335 2.541 20 0 CFADRP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000123086446 187070238 /nfs/dbraw/zinc/07/02/38/187070238.db2.gz ZPQFBXKHKMKXOU-SFHVURJKSA-N 2 0 288.435 2.797 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)[C@H]2CCOC2)CC1 ZINC000122775958 187051013 /nfs/dbraw/zinc/05/10/13/187051013.db2.gz GDVWXXSYPCUTGN-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000124292856 187130529 /nfs/dbraw/zinc/13/05/29/187130529.db2.gz JNYPYASBFYSORR-UHFFFAOYSA-N 2 0 256.752 2.650 20 0 CFADRP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000123978024 187116677 /nfs/dbraw/zinc/11/66/77/187116677.db2.gz HWAWKNSEDLPTMJ-WFASDCNBSA-N 2 0 260.381 2.731 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCOC)c1 ZINC000123988750 187117575 /nfs/dbraw/zinc/11/75/75/187117575.db2.gz QBCKCDDEOIMRBH-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2Cc2ccccc2)[C@@H](C)C1 ZINC000271471257 191157414 /nfs/dbraw/zinc/15/74/14/191157414.db2.gz ITOGGEOYFGJSOG-XOYOTBSWSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCF ZINC000271475931 191159829 /nfs/dbraw/zinc/15/98/29/191159829.db2.gz HXTUWEBAAVWIHS-GDBMZVCRSA-N 2 0 264.388 2.846 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292069321 198151944 /nfs/dbraw/zinc/15/19/44/198151944.db2.gz DJMHRJQRJHIXCL-WBVHZDCISA-N 2 0 258.409 2.818 20 0 CFADRP c1cc2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)ccc2cn1 ZINC000232575340 539901602 /nfs/dbraw/zinc/90/16/02/539901602.db2.gz GYZYGMVMZYLCFK-OAHLLOKOSA-N 2 0 281.403 2.809 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)C1 ZINC000153099056 539945311 /nfs/dbraw/zinc/94/53/11/539945311.db2.gz ULYUTMUFUUXCQZ-UAGQMJEPSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000311809167 295852323 /nfs/dbraw/zinc/85/23/23/295852323.db2.gz IEQIEIGEDAOFHS-PMPSAXMXSA-N 2 0 269.477 2.604 20 0 CFADRP Cc1cnc(CCN(C)CCC[NH+]2CCCC2)c(C)c1 ZINC000566163030 290355281 /nfs/dbraw/zinc/35/52/81/290355281.db2.gz RKUIETHFRRSNIB-UHFFFAOYSA-N 2 0 275.440 2.659 20 0 CFADRP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000152488538 188023626 /nfs/dbraw/zinc/02/36/26/188023626.db2.gz LQZXYKPGJNREHZ-GJZGRUSLSA-N 2 0 292.423 2.536 20 0 CFADRP CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152861139 188048834 /nfs/dbraw/zinc/04/88/34/188048834.db2.gz MWKJUEUCMCUSKQ-HOCLYGCPSA-N 2 0 294.439 2.703 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccs2)CC1 ZINC000154480569 188144843 /nfs/dbraw/zinc/14/48/43/188144843.db2.gz UFKDMSGBEPWSNG-HNNXBMFYSA-N 2 0 295.496 2.816 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000155283609 188196301 /nfs/dbraw/zinc/19/63/01/188196301.db2.gz PSCBRNLAEKDIFB-CZUORRHYSA-N 2 0 276.399 2.930 20 0 CFADRP C[C@@H](CC[NH+]1C[C@@H](C)[C@H](C)C1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000431598704 539983895 /nfs/dbraw/zinc/98/38/95/539983895.db2.gz XIUCEZDTBVWUOQ-SUJAAXHWSA-N 2 0 252.446 2.941 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2conc2C)CC1 ZINC000507218044 535216053 /nfs/dbraw/zinc/21/60/53/535216053.db2.gz ZGXLBRYTXWWAOM-UHFFFAOYSA-N 2 0 279.428 2.927 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000235384135 539999074 /nfs/dbraw/zinc/99/90/74/539999074.db2.gz NBOMZFHDXRNRIB-DOTOQJQBSA-N 2 0 293.499 2.594 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000157580723 188325802 /nfs/dbraw/zinc/32/58/02/188325802.db2.gz MMPUHAHWODFWEK-VKJFTORMSA-N 2 0 298.434 2.691 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(C)CCC2)(N2CCCCC2)CC1 ZINC000434763944 540000858 /nfs/dbraw/zinc/00/08/58/540000858.db2.gz HGCZDHQFARUYIR-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC(C)C2)[C@@H](C)C1 ZINC000621772121 353421651 /nfs/dbraw/zinc/42/16/51/353421651.db2.gz YUEWCHOFQSRVEU-ODZFXCKXSA-N 2 0 282.472 2.759 20 0 CFADRP Clc1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000621776765 353422297 /nfs/dbraw/zinc/42/22/97/353422297.db2.gz VVVOOJOUXQBDQG-HNNXBMFYSA-N 2 0 279.815 2.699 20 0 CFADRP CCOc1cncc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000621713439 353400793 /nfs/dbraw/zinc/40/07/93/353400793.db2.gz KOPRJAMZJHZNBZ-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353534840 282908978 /nfs/dbraw/zinc/90/89/78/282908978.db2.gz ZPDAOWNCLYGAAQ-SLTAFYQDSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CC1(F)F ZINC000622043681 353468498 /nfs/dbraw/zinc/46/84/98/353468498.db2.gz HQRBMMLOOYRREP-FRRDWIJNSA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccccc21 ZINC000622044056 353468521 /nfs/dbraw/zinc/46/85/21/353468521.db2.gz SSJXCPSHEWFVAG-WQAKAFBOSA-N 2 0 252.308 2.766 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC1(F)F ZINC000622043881 353468588 /nfs/dbraw/zinc/46/85/88/353468588.db2.gz OOLJZHNZUMZESD-UBHSHLNASA-N 2 0 268.351 2.580 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C ZINC000063197301 540005949 /nfs/dbraw/zinc/00/59/49/540005949.db2.gz RFVARDQOUNLVLN-KRWDZBQOSA-N 2 0 288.435 2.968 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccsc2)CC1(C)C ZINC000623347529 353621155 /nfs/dbraw/zinc/62/11/55/353621155.db2.gz CTCPRQCEDPLTOA-ZDUSSCGKSA-N 2 0 252.427 2.753 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623374662 353629276 /nfs/dbraw/zinc/62/92/76/353629276.db2.gz KGNWMDGXVKSFCT-VVLHAWIVSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000623383153 353631684 /nfs/dbraw/zinc/63/16/84/353631684.db2.gz GLFXNOUFKRHYLE-HZPDHXFCSA-N 2 0 281.488 2.569 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623399292 353634934 /nfs/dbraw/zinc/63/49/34/353634934.db2.gz FJJWMHHBFLNGFV-MRXNPFEDSA-N 2 0 283.504 2.961 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)CC1(C)C ZINC000623402781 353635823 /nfs/dbraw/zinc/63/58/23/353635823.db2.gz ZBCLTLNNXYGYGP-GJZGRUSLSA-N 2 0 258.409 2.789 20 0 CFADRP Cc1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)ccn1 ZINC000623421916 353639674 /nfs/dbraw/zinc/63/96/74/353639674.db2.gz BODSJAYVROYLCF-HNNXBMFYSA-N 2 0 263.429 2.846 20 0 CFADRP C[C@@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432352 353643290 /nfs/dbraw/zinc/64/32/90/353643290.db2.gz NXAUELCHJGFFCR-LSDHHAIUSA-N 2 0 277.456 2.809 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623437163 353644704 /nfs/dbraw/zinc/64/47/04/353644704.db2.gz UJAWNRDCXDARTI-AWEZNQCLSA-N 2 0 270.461 2.638 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335568 353616849 /nfs/dbraw/zinc/61/68/49/353616849.db2.gz SMSYCVHTTFREEK-HZPDHXFCSA-N 3 0 283.504 2.959 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623341739 353618875 /nfs/dbraw/zinc/61/88/75/353618875.db2.gz PMJCEEXSHOHMEA-JKSUJKDBSA-N 2 0 281.488 2.713 20 0 CFADRP CC1CC[NH+](CCCN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623342834 353619163 /nfs/dbraw/zinc/61/91/63/353619163.db2.gz QQUXPNJXERNKSZ-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccnn1C ZINC000623504329 353658820 /nfs/dbraw/zinc/65/88/20/353658820.db2.gz JONNUSVFRJZNGR-HUUCEWRRSA-N 2 0 292.471 2.622 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)CC1(C)C ZINC000623504614 353659039 /nfs/dbraw/zinc/65/90/39/353659039.db2.gz WJYSCDMKLMOATM-ZDUSSCGKSA-N 2 0 282.378 2.970 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623536473 353666883 /nfs/dbraw/zinc/66/68/83/353666883.db2.gz WTIHAQGOODCBTF-DLBZAZTESA-N 2 0 290.451 2.707 20 0 CFADRP CCc1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000623655682 353696980 /nfs/dbraw/zinc/69/69/80/353696980.db2.gz BUJFPCAASJVKSG-ZDUSSCGKSA-N 2 0 250.386 2.664 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CO2 ZINC000623608547 353684828 /nfs/dbraw/zinc/68/48/28/353684828.db2.gz QCDMYZTYERFKAW-HUUCEWRRSA-N 2 0 288.435 2.761 20 0 CFADRP COC1(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000623657734 353698400 /nfs/dbraw/zinc/69/84/00/353698400.db2.gz XRIQLYQHDHMRJJ-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000624007548 353782357 /nfs/dbraw/zinc/78/23/57/353782357.db2.gz YROIGVABDISVHB-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CO2 ZINC000624071608 353797956 /nfs/dbraw/zinc/79/79/56/353797956.db2.gz FJAWQZDMRQJNKV-INIZCTEOSA-N 2 0 288.435 2.761 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624078052 353799596 /nfs/dbraw/zinc/79/95/96/353799596.db2.gz NRLYHQRXWPMVEO-DZGCQCFKSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000624100734 353805904 /nfs/dbraw/zinc/80/59/04/353805904.db2.gz ALDUWTCEWZQLGL-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121604 353810491 /nfs/dbraw/zinc/81/04/91/353810491.db2.gz YWGSNRYITXCMNW-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624119923 353810539 /nfs/dbraw/zinc/81/05/39/353810539.db2.gz MQSZOANPJCYCSH-LSDHHAIUSA-N 2 0 264.413 2.922 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000624121077 353810798 /nfs/dbraw/zinc/81/07/98/353810798.db2.gz NNAIHXYBXGZPDL-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120306 353810878 /nfs/dbraw/zinc/81/08/78/353810878.db2.gz WALUHGUBGAUCIF-CVEARBPZSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624122604 353811972 /nfs/dbraw/zinc/81/19/72/353811972.db2.gz WPTPBMILHHFYTI-HUUCEWRRSA-N 2 0 261.413 2.773 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000624122211 353812049 /nfs/dbraw/zinc/81/20/49/353812049.db2.gz MIFHLVLIBFMMQH-NFOMZHRRSA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000624188867 353829938 /nfs/dbraw/zinc/82/99/38/353829938.db2.gz JRICIVUDUFQEJY-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP C/C=C\C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000624197192 353831890 /nfs/dbraw/zinc/83/18/90/353831890.db2.gz DIIWMHAIMNSCAA-GXMNPTEKSA-N 2 0 262.397 2.854 20 0 CFADRP CCO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC1 ZINC000625189952 353992014 /nfs/dbraw/zinc/99/20/14/353992014.db2.gz KKNHDGREZKCETF-DOTOQJQBSA-N 2 0 280.456 2.609 20 0 CFADRP CCC[C@@H](C)CCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000625276255 354011422 /nfs/dbraw/zinc/01/14/22/354011422.db2.gz SFNPWFFXDQQVHR-QGZVFWFLSA-N 2 0 283.504 2.772 20 0 CFADRP Clc1ccc(CC[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000625435074 354045034 /nfs/dbraw/zinc/04/50/34/354045034.db2.gz MNOYEHGKYSPNDJ-UHFFFAOYSA-N 2 0 261.756 2.664 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000352791136 291025961 /nfs/dbraw/zinc/02/59/61/291025961.db2.gz HEIUGOCZHVRHND-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536932 283019707 /nfs/dbraw/zinc/01/97/07/283019707.db2.gz IRAYFYYTMZCKEF-INIZCTEOSA-N 2 0 260.356 2.712 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000165961515 188634183 /nfs/dbraw/zinc/63/41/83/188634183.db2.gz WPNYOCOSTXOFPN-DOTOQJQBSA-N 2 0 276.424 2.620 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc3n[nH]cc32)CC1 ZINC000628128643 354440526 /nfs/dbraw/zinc/44/05/26/354440526.db2.gz OZVVZAXFKGDSOJ-UHFFFAOYSA-N 2 0 286.423 2.868 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000310104454 291030295 /nfs/dbraw/zinc/03/02/95/291030295.db2.gz MRFFGUHOKCKZBF-WCQYABFASA-N 2 0 256.459 2.590 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628134013 354443031 /nfs/dbraw/zinc/44/30/31/354443031.db2.gz ACKZUEXJQSPRFB-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1nc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)[nH]c1C ZINC000628184696 354465220 /nfs/dbraw/zinc/46/52/20/354465220.db2.gz VVSLEKMZJBKOQL-QGZVFWFLSA-N 2 0 298.434 2.733 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000628201833 354474002 /nfs/dbraw/zinc/47/40/02/354474002.db2.gz XGRQTZOYDTYJSR-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@@]2(C)CCCS2)CCCC1 ZINC000628238658 354495194 /nfs/dbraw/zinc/49/51/94/354495194.db2.gz IGMMDXBZVRHYDU-CQSZACIVSA-N 2 0 270.486 2.984 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@]2(C)CCCS2)CCCC1 ZINC000628238657 354495400 /nfs/dbraw/zinc/49/54/00/354495400.db2.gz IGMMDXBZVRHYDU-AWEZNQCLSA-N 2 0 270.486 2.984 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628425224 354586146 /nfs/dbraw/zinc/58/61/46/354586146.db2.gz DZQKROOQNIKMOO-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000628477467 354599354 /nfs/dbraw/zinc/59/93/54/354599354.db2.gz XUBMZJMCEGNAGZ-AGIUHOORSA-N 2 0 256.459 2.590 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000339415282 540035243 /nfs/dbraw/zinc/03/52/43/540035243.db2.gz OQWFIYKNLBLUQE-CQSZACIVSA-N 2 0 288.435 2.613 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000629389807 354800283 /nfs/dbraw/zinc/80/02/83/354800283.db2.gz AHZHWQYUGKRXFK-BZZMCLGOSA-N 2 0 293.499 2.760 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000629390324 354800382 /nfs/dbraw/zinc/80/03/82/354800382.db2.gz OCYMGNSGGOXQJZ-NRSFXHEJSA-N 2 0 293.499 2.760 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000629401394 354802976 /nfs/dbraw/zinc/80/29/76/354802976.db2.gz AGSMEHYJPWCHAD-BPQIPLTHSA-N 2 0 290.451 2.784 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCOCCC[NH3+] ZINC000629400218 354803205 /nfs/dbraw/zinc/80/32/05/354803205.db2.gz QPQIRILTOMLZPN-GJZGRUSLSA-N 2 0 256.434 2.546 20 0 CFADRP CC1(C)CC([NH2+]CCOCCC[NH3+])CC(C)(C)C1 ZINC000629399137 354803338 /nfs/dbraw/zinc/80/33/38/354803338.db2.gz MIXWGCIPQJEUNW-UHFFFAOYSA-N 2 0 256.434 2.546 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000629528799 354833165 /nfs/dbraw/zinc/83/31/65/354833165.db2.gz JMUXKKCOXBDPKR-NSHDSACASA-N 2 0 290.329 2.592 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514531 354824887 /nfs/dbraw/zinc/82/48/87/354824887.db2.gz NRFJYEUKCWAJLW-MAZHCROVSA-N 2 0 294.826 2.921 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000629516459 354825869 /nfs/dbraw/zinc/82/58/69/354825869.db2.gz GUMIAXJMMZZJAJ-JSGCOSHPSA-N 2 0 261.413 2.683 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629518879 354826865 /nfs/dbraw/zinc/82/68/65/354826865.db2.gz CFUMZNKJONPBPK-STQMWFEESA-N 2 0 296.842 2.930 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000629519012 354826984 /nfs/dbraw/zinc/82/69/84/354826984.db2.gz AHRYATVKZIHSQR-KBPBESRZSA-N 2 0 275.440 2.937 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520928 354827768 /nfs/dbraw/zinc/82/77/68/354827768.db2.gz MUQFXUGQAJMWJX-HUUCEWRRSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000629522838 354828729 /nfs/dbraw/zinc/82/87/29/354828729.db2.gz HQYJQJMGDLRFET-LSDHHAIUSA-N 2 0 275.440 2.645 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nc1 ZINC000629522736 354828952 /nfs/dbraw/zinc/82/89/52/354828952.db2.gz HQYJQJMGDLRFET-GJZGRUSLSA-N 2 0 275.440 2.645 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCC3(CCCCC3)CC2)CCOCC1 ZINC000629524454 354829889 /nfs/dbraw/zinc/82/98/89/354829889.db2.gz MJHRCCFVPCCIJF-UHFFFAOYSA-N 2 0 280.456 2.977 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000629530133 354832604 /nfs/dbraw/zinc/83/26/04/354832604.db2.gz WIWNIQFOWPPRHT-LLVKDONJSA-N 2 0 268.788 2.606 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000629529319 354832665 /nfs/dbraw/zinc/83/26/65/354832665.db2.gz ZLBVJXPZFQWZIJ-NSHDSACASA-N 2 0 299.484 2.636 20 0 CFADRP Cc1cnccc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000629648536 354875237 /nfs/dbraw/zinc/87/52/37/354875237.db2.gz QFOZJAZZGVMEMS-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649367 354876128 /nfs/dbraw/zinc/87/61/28/354876128.db2.gz RIXDXBZGJDSKQJ-CYBMUJFWSA-N 2 0 260.381 2.570 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000629650587 354876275 /nfs/dbraw/zinc/87/62/75/354876275.db2.gz WZHKKBYPJUJYJE-UHFFFAOYSA-N 2 0 294.398 2.972 20 0 CFADRP COCc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000629650395 354876376 /nfs/dbraw/zinc/87/63/76/354876376.db2.gz UFCBGSKBKSMVOB-HNNXBMFYSA-N 2 0 292.423 2.638 20 0 CFADRP COC1(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCCC1 ZINC000629649998 354876481 /nfs/dbraw/zinc/87/64/81/354876481.db2.gz NNJQGMOBTSFFHS-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000629651512 354877493 /nfs/dbraw/zinc/87/74/93/354877493.db2.gz IPOXXLQUHRYVJQ-ZDUSSCGKSA-N 2 0 272.392 2.522 20 0 CFADRP CCC[C@@H](C)CCC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533425 354834990 /nfs/dbraw/zinc/83/49/90/354834990.db2.gz ZOYBDOCJMUWQMS-CVEARBPZSA-N 2 0 282.472 2.890 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000629535242 354835904 /nfs/dbraw/zinc/83/59/04/354835904.db2.gz BSAKWEDMWTVJAA-MRXNPFEDSA-N 2 0 296.842 2.616 20 0 CFADRP CCC[C@H](C)CCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000629538430 354836565 /nfs/dbraw/zinc/83/65/65/354836565.db2.gz NWKWBWVPANZCFW-HOCLYGCPSA-N 2 0 293.459 2.590 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCOCCC[NH3+])c2sccc21 ZINC000629537440 354836579 /nfs/dbraw/zinc/83/65/79/354836579.db2.gz JIDZWMPTJDCKTB-WCQYABFASA-N 2 0 268.426 2.642 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]CCOCCC[NH3+])cc1 ZINC000629542225 354839411 /nfs/dbraw/zinc/83/94/11/354839411.db2.gz WQOHIGZKTMRBES-INIZCTEOSA-N 2 0 264.413 2.655 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CCOCCC[NH3+])C(C)C)cc1 ZINC000629542227 354839569 /nfs/dbraw/zinc/83/95/69/354839569.db2.gz WTNYXBRSRMGAEY-KRWDZBQOSA-N 2 0 278.440 2.517 20 0 CFADRP CC(C)c1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629542031 354839703 /nfs/dbraw/zinc/83/97/03/354839703.db2.gz WZNOQIHXFOORQP-CQSZACIVSA-N 2 0 264.413 2.826 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544804 354841453 /nfs/dbraw/zinc/84/14/53/354841453.db2.gz JNHPROUMEQEDTH-UONOGXRCSA-N 2 0 295.789 2.972 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544785 354841568 /nfs/dbraw/zinc/84/15/68/354841568.db2.gz JNHPROUMEQEDTH-KBPBESRZSA-N 2 0 295.789 2.972 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545205 354841735 /nfs/dbraw/zinc/84/17/35/354841735.db2.gz ATABROLGTOJYMZ-MAZHCROVSA-N 2 0 264.388 2.733 20 0 CFADRP Cc1cccc(C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)c1 ZINC000629547909 354843808 /nfs/dbraw/zinc/84/38/08/354843808.db2.gz LUZUSKZRUNJMNT-XKQJLSEDSA-N 2 0 258.409 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C1 ZINC000629550651 354844872 /nfs/dbraw/zinc/84/48/72/354844872.db2.gz OVTJZRYLXMNNKV-MNOVXSKESA-N 2 0 264.335 2.969 20 0 CFADRP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629552472 354846136 /nfs/dbraw/zinc/84/61/36/354846136.db2.gz KLWRESWNYXHONH-FRRDWIJNSA-N 2 0 260.372 2.599 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629563424 354848081 /nfs/dbraw/zinc/84/80/81/354848081.db2.gz PRHXXYVIPBXOKQ-ZIAGYGMSSA-N 2 0 286.341 2.688 20 0 CFADRP CC(C)=CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565148 354848603 /nfs/dbraw/zinc/84/86/03/354848603.db2.gz VPECXWPBSXVRPD-NEPJUHHUSA-N 2 0 264.335 2.802 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629589425 354852352 /nfs/dbraw/zinc/85/23/52/354852352.db2.gz WHXUNYDXHVEMJW-DZGCQCFKSA-N 2 0 292.398 2.623 20 0 CFADRP COCC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000447366197 540040305 /nfs/dbraw/zinc/04/03/05/540040305.db2.gz RDPCYRDDSIKCQZ-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP [NH3+]CCCOCC[NH2+]Cc1csc(Cl)c1Cl ZINC000629677097 354888720 /nfs/dbraw/zinc/88/87/20/354888720.db2.gz BKXHAMSTLBBMJR-UHFFFAOYSA-N 2 0 283.224 2.510 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2cccc(CC[NH3+])c2)c1 ZINC000629700616 354900447 /nfs/dbraw/zinc/90/04/47/354900447.db2.gz MHNVGJNHODZKTJ-UHFFFAOYSA-N 2 0 284.403 2.795 20 0 CFADRP Cc1noc(C)c1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000629711945 354906429 /nfs/dbraw/zinc/90/64/29/354906429.db2.gz ISMFLZATIGEDBE-UHFFFAOYSA-N 2 0 285.391 2.882 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000423298176 295892487 /nfs/dbraw/zinc/89/24/87/295892487.db2.gz NLJJFVWSRXIOKC-GWCFXTLKSA-N 2 0 268.788 2.738 20 0 CFADRP FCCC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000630072220 354995209 /nfs/dbraw/zinc/99/52/09/354995209.db2.gz BOUSZQPYLFFYNM-UHFFFAOYSA-N 2 0 276.399 2.904 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c2ccccc2n1 ZINC000228177120 540083277 /nfs/dbraw/zinc/08/32/77/540083277.db2.gz VDUNCKPTCYVTDF-UKRRQHHQSA-N 2 0 269.392 2.855 20 0 CFADRP COCc1csc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000667667216 540112481 /nfs/dbraw/zinc/11/24/81/540112481.db2.gz HSNFBJCZNNJMIB-TZMCWYRMSA-N 2 0 282.453 2.809 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631042314 355260816 /nfs/dbraw/zinc/26/08/16/355260816.db2.gz IJAPJICUTDJRHW-HUUCEWRRSA-N 2 0 291.439 2.635 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)on1 ZINC000631043480 355262202 /nfs/dbraw/zinc/26/22/02/355262202.db2.gz XVNAAZVNBJJVFT-CQSZACIVSA-N 2 0 265.401 2.727 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271851415 191368122 /nfs/dbraw/zinc/36/81/22/191368122.db2.gz ISTKYWXMFDDVSV-ZDUSSCGKSA-N 2 0 260.381 2.608 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271851413 191369078 /nfs/dbraw/zinc/36/90/78/191369078.db2.gz ISTKYWXMFDDVSV-CYBMUJFWSA-N 2 0 260.381 2.608 20 0 CFADRP Cc1scc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000631121301 355302778 /nfs/dbraw/zinc/30/27/78/355302778.db2.gz HBRCYQITISYNNM-ZDUSSCGKSA-N 2 0 296.480 2.955 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)on1 ZINC000631085832 355284532 /nfs/dbraw/zinc/28/45/32/355284532.db2.gz OXYNFXCTIBVWEH-UHFFFAOYSA-N 2 0 279.428 2.831 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CCOC3)CC1(C)C ZINC000631243887 355370698 /nfs/dbraw/zinc/37/06/98/355370698.db2.gz SWGNCJHZIQXZGZ-MRXNPFEDSA-N 2 0 288.435 2.722 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccnc1 ZINC000631196903 355344050 /nfs/dbraw/zinc/34/40/50/355344050.db2.gz WKXZINAGKPEXSO-APWZRJJASA-N 2 0 295.430 2.939 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631578673 355497513 /nfs/dbraw/zinc/49/75/13/355497513.db2.gz YPEKZENWKHQDQG-KRWDZBQOSA-N 2 0 273.424 2.781 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631589908 355505363 /nfs/dbraw/zinc/50/53/63/355505363.db2.gz FODVGWASNZOGFX-SJORKVTESA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CCN1C ZINC000631653294 355534169 /nfs/dbraw/zinc/53/41/69/355534169.db2.gz HXEYNSKNZNWZOV-LLLHUVSDSA-N 2 0 274.408 2.589 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCOC1 ZINC000631664246 355536923 /nfs/dbraw/zinc/53/69/23/355536923.db2.gz NCTJCHBPEIVWCC-BPQIPLTHSA-N 2 0 288.435 2.523 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631665308 355537699 /nfs/dbraw/zinc/53/76/99/355537699.db2.gz VFZLLCPZKJJPMS-KBAYOESNSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cn[nH]c1 ZINC000631666026 355538212 /nfs/dbraw/zinc/53/82/12/355538212.db2.gz ZHCCCKMPZKGVQF-RVKKMQEKSA-N 2 0 298.434 2.828 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000631680376 355545252 /nfs/dbraw/zinc/54/52/52/355545252.db2.gz PUOPNJNFZBRFCR-VYDXJSESSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631638009 355526293 /nfs/dbraw/zinc/52/62/93/355526293.db2.gz UTFNAORVBSGQSE-YOEHRIQHSA-N 2 0 273.424 2.781 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631638590 355526706 /nfs/dbraw/zinc/52/67/06/355526706.db2.gz DHTUTEFKCNWEEX-MQBCKMQZSA-N 2 0 273.424 2.921 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)n1 ZINC000631820894 355595698 /nfs/dbraw/zinc/59/56/98/355595698.db2.gz JTNOVEYNZZGFNG-CYBMUJFWSA-N 2 0 261.413 2.566 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2CCOC3)[C@@H]1CC[NH3+] ZINC000631828953 355597356 /nfs/dbraw/zinc/59/73/56/355597356.db2.gz CMUQGPLJUHXJBS-RDTXWAMCSA-N 2 0 288.435 2.709 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000631827744 355597726 /nfs/dbraw/zinc/59/77/26/355597726.db2.gz VQRAHFMCXREODD-SFHVURJKSA-N 2 0 287.451 2.971 20 0 CFADRP C(C[NH+]1CCC2(CCSCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000631837422 355600607 /nfs/dbraw/zinc/60/06/07/355600607.db2.gz SBSQYDUYUGJMEB-AWEZNQCLSA-N 2 0 268.470 2.595 20 0 CFADRP c1csc(CC2CC[NH+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000631836509 355600695 /nfs/dbraw/zinc/60/06/95/355600695.db2.gz AONKWNVGWWUWCB-UHFFFAOYSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837850 355601481 /nfs/dbraw/zinc/60/14/81/355601481.db2.gz GCQXPIVPBNCVAX-NTZNESFSSA-N 2 0 252.789 2.928 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000631840149 355603192 /nfs/dbraw/zinc/60/31/92/355603192.db2.gz QAIVCMXGNVLBKT-TZMCWYRMSA-N 2 0 287.432 2.837 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631841574 355604068 /nfs/dbraw/zinc/60/40/68/355604068.db2.gz MMTCCONIDRGJGX-CMPLNLGQSA-N 2 0 272.314 2.732 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890389 355616230 /nfs/dbraw/zinc/61/62/30/355616230.db2.gz PFESRDUEININJB-ZFWWWQNUSA-N 2 0 276.449 2.982 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C)(F)CC2)cc1 ZINC000631867101 355608858 /nfs/dbraw/zinc/60/88/58/355608858.db2.gz JMTSKDVJBXKKIP-AWEZNQCLSA-N 2 0 280.387 2.562 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229247939 540176522 /nfs/dbraw/zinc/17/65/22/540176522.db2.gz PXVMNRFEZPWJIQ-ZFWWWQNUSA-N 2 0 266.429 2.537 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000631743150 355573642 /nfs/dbraw/zinc/57/36/42/355573642.db2.gz NSOPYVDDLUDEMX-JQFCIGGWSA-N 2 0 280.456 2.654 20 0 CFADRP Clc1ccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886978 355614665 /nfs/dbraw/zinc/61/46/65/355614665.db2.gz NOGQXDIRFFTDFS-CJNGLKHVSA-N 2 0 294.826 2.793 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888775 355614818 /nfs/dbraw/zinc/61/48/18/355614818.db2.gz ATURFIKTQDTYEN-WBVHZDCISA-N 2 0 281.403 2.809 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000229332611 540178830 /nfs/dbraw/zinc/17/88/30/540178830.db2.gz GQQPUYOLGWKUMJ-HNNXBMFYSA-N 2 0 266.429 2.539 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000229367234 540179929 /nfs/dbraw/zinc/17/99/29/540179929.db2.gz XSOFAUWGDPZQDB-IRXDYDNUSA-N 2 0 292.467 2.942 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000272589403 191806129 /nfs/dbraw/zinc/80/61/29/191806129.db2.gz QUSUBOMPIGKNIC-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000353592855 283135422 /nfs/dbraw/zinc/13/54/22/283135422.db2.gz KRPVUYYCUTZTHW-IKGGRYGDSA-N 2 0 293.499 2.571 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)CC[NH+](C)C)cc1F ZINC000273685218 192262154 /nfs/dbraw/zinc/26/21/54/192262154.db2.gz HNWFBQNBQKTNHO-UONOGXRCSA-N 2 0 296.430 2.943 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000334845202 540253434 /nfs/dbraw/zinc/25/34/34/540253434.db2.gz JOGAJQQQVCRITB-QWHCGFSZSA-N 2 0 273.355 2.733 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086880513 540255207 /nfs/dbraw/zinc/25/52/07/540255207.db2.gz KANLJNLHIVXEPM-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086896145 540255478 /nfs/dbraw/zinc/25/54/78/540255478.db2.gz FIXQCNCIRIUJMG-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000086896155 540255495 /nfs/dbraw/zinc/25/54/95/540255495.db2.gz NZZCTDSOJOUXLS-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])c2ccccc2O1 ZINC000423160850 297286756 /nfs/dbraw/zinc/28/67/56/297286756.db2.gz QXTDEHVGMZURST-QHSBEEBCSA-N 2 0 260.381 2.616 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1SC ZINC000568882847 290575830 /nfs/dbraw/zinc/57/58/30/290575830.db2.gz HGEJLNIMMJFYFX-GHMZBOCLSA-N 2 0 268.426 2.633 20 0 CFADRP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](OCC)C1(C)C ZINC000420294565 283267775 /nfs/dbraw/zinc/26/77/75/283267775.db2.gz BFIFYPKRSAWDKB-JYJNAYRXSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000346982258 283280191 /nfs/dbraw/zinc/28/01/91/283280191.db2.gz NSZSXRUIIVBGCD-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP Fc1ccc(F)c(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339073629 540282070 /nfs/dbraw/zinc/28/20/70/540282070.db2.gz BZCKHXRYSNVIPZ-CABCVRRESA-N 2 0 280.362 2.724 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000339067157 540282920 /nfs/dbraw/zinc/28/29/20/540282920.db2.gz GTNVYEGBUAZMGJ-PMPSAXMXSA-N 2 0 259.397 2.749 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070509 540283668 /nfs/dbraw/zinc/28/36/68/540283668.db2.gz OSZRDRKFMQTAJN-ZACQAIPSSA-N 2 0 288.435 2.979 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000336625509 540290619 /nfs/dbraw/zinc/29/06/19/540290619.db2.gz BGQOTDCYUBJTNF-PBHICJAKSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000681058682 540322415 /nfs/dbraw/zinc/32/24/15/540322415.db2.gz VECYGLMOLDQLHU-RRQGHBQHSA-N 2 0 280.456 2.512 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCCC2)[C@H](C)C1 ZINC000151240906 540369095 /nfs/dbraw/zinc/36/90/95/540369095.db2.gz GZHWEXLGERCSOA-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000251380431 540386637 /nfs/dbraw/zinc/38/66/37/540386637.db2.gz ZDIUWFWPWDRYDO-OAGGEKHMSA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@@H]1[NH3+] ZINC000147504180 540390652 /nfs/dbraw/zinc/39/06/52/540390652.db2.gz JQSWTCLMJWYDGA-YOEHRIQHSA-N 2 0 258.409 2.735 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000294697117 199139175 /nfs/dbraw/zinc/13/91/75/199139175.db2.gz CSWZPLZYVCDKFH-HUUCEWRRSA-N 2 0 273.424 2.576 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000294918742 199248003 /nfs/dbraw/zinc/24/80/03/199248003.db2.gz APYUOANHPQISHA-INIZCTEOSA-N 2 0 275.440 2.848 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000294924399 199252412 /nfs/dbraw/zinc/25/24/12/199252412.db2.gz CUVYARONYGYWOC-BBRMVZONSA-N 2 0 278.465 2.979 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000421370060 236784568 /nfs/dbraw/zinc/78/45/68/236784568.db2.gz INMLTARKWGNYSN-UHFFFAOYSA-N 2 0 279.453 2.983 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)C1(c2ccccc2)CCCC1 ZINC000423301555 299286795 /nfs/dbraw/zinc/28/67/95/299286795.db2.gz HMKNUHIYTATLII-AWEZNQCLSA-N 2 0 258.409 2.696 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000093210617 540426354 /nfs/dbraw/zinc/42/63/54/540426354.db2.gz CJIFTAPASNRRGL-HOTGVXAUSA-N 2 0 271.408 2.891 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000093210079 540426523 /nfs/dbraw/zinc/42/65/23/540426523.db2.gz LREJVQGPZMHMIE-KBPBESRZSA-N 2 0 257.381 2.570 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000093210619 540426532 /nfs/dbraw/zinc/42/65/32/540426532.db2.gz CJIFTAPASNRRGL-HZPDHXFCSA-N 2 0 271.408 2.891 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000252204293 540430911 /nfs/dbraw/zinc/43/09/11/540430911.db2.gz WWJZPOUVYMTWGQ-YZDRTPDPSA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC1 ZINC000415083739 283426887 /nfs/dbraw/zinc/42/68/87/283426887.db2.gz NPGNECSVABXELF-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP CC(C)CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000094878695 540457005 /nfs/dbraw/zinc/45/70/05/540457005.db2.gz DDISALUORYMPCD-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP Cc1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000041010493 540480896 /nfs/dbraw/zinc/48/08/96/540480896.db2.gz KPZWIMAHVSTUIT-UHFFFAOYSA-N 2 0 288.420 2.605 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCc2ccsc2)C[C@@H]1C[NH3+] ZINC000422633583 237115072 /nfs/dbraw/zinc/11/50/72/237115072.db2.gz INADBYBVBONRJL-NFAWXSAZSA-N 2 0 266.454 2.986 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000422729543 237143513 /nfs/dbraw/zinc/14/35/13/237143513.db2.gz KVUKDXAPWFBPJB-GJZGRUSLSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000422701098 237122086 /nfs/dbraw/zinc/12/20/86/237122086.db2.gz BHJOTRQIODFXQY-YOEHRIQHSA-N 2 0 269.392 2.888 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2ccccc2n1 ZINC000422704353 237126100 /nfs/dbraw/zinc/12/61/00/237126100.db2.gz PLDQHNJVCSCPFQ-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422769581 237184085 /nfs/dbraw/zinc/18/40/85/237184085.db2.gz VJQIRBPQYAYUAC-KBPBESRZSA-N 2 0 268.401 2.777 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1csc2ccccc12 ZINC000422772933 237188037 /nfs/dbraw/zinc/18/80/37/237188037.db2.gz ZHWPMEFVQMBEBP-CYBMUJFWSA-N 2 0 278.421 2.745 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422773721 237192272 /nfs/dbraw/zinc/19/22/72/237192272.db2.gz UTBYUMQRMBPHOB-MAUKXSAKSA-N 2 0 298.434 2.706 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422744754 237158972 /nfs/dbraw/zinc/15/89/72/237158972.db2.gz UDKGTLXJTJXELW-GDBMZVCRSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422751568 237164667 /nfs/dbraw/zinc/16/46/67/237164667.db2.gz BOIGDSMBAACYJY-LKSINWNRSA-N 2 0 298.377 2.839 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422761477 237176924 /nfs/dbraw/zinc/17/69/24/237176924.db2.gz MRWFZBNEGANXHZ-XHDPSFHLSA-N 2 0 275.371 2.567 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422795783 237219075 /nfs/dbraw/zinc/21/90/75/237219075.db2.gz ICGIAMQGTADWCL-NXEZZACHSA-N 2 0 276.302 2.801 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OC(F)F ZINC000422794844 237219601 /nfs/dbraw/zinc/21/96/01/237219601.db2.gz GZNSBBFHFWXDQM-VHSXEESVSA-N 2 0 258.312 2.503 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000435783587 240352629 /nfs/dbraw/zinc/35/26/29/240352629.db2.gz YIJAGNJYGGXMIF-DZUCGIPZSA-N 2 0 258.409 2.862 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435788723 240352647 /nfs/dbraw/zinc/35/26/47/240352647.db2.gz FRXMUHRJJHOBBF-QCQGSNGOSA-N 2 0 262.372 2.611 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000422799550 237225932 /nfs/dbraw/zinc/22/59/32/237225932.db2.gz XFSHEEFTNMXOLB-MAUKXSAKSA-N 2 0 298.434 2.539 20 0 CFADRP Clc1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422778255 237194321 /nfs/dbraw/zinc/19/43/21/237194321.db2.gz HBUMIHIHECUFJW-PBWFPOADSA-N 2 0 264.800 2.755 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776321 237194431 /nfs/dbraw/zinc/19/44/31/237194431.db2.gz ABGUYTDPYPWERF-UHIISALHSA-N 2 0 270.804 2.743 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422776060 237196445 /nfs/dbraw/zinc/19/64/45/237196445.db2.gz CBBAKRCCSHPZNS-MCIONIFRSA-N 2 0 264.413 2.904 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422778568 237196846 /nfs/dbraw/zinc/19/68/46/237196846.db2.gz ASOFIRATTFXNHO-DVOMOZLQSA-N 2 0 280.387 2.700 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3CCC[C@H]3C[NH3+])c[nH]c21 ZINC000422780283 237198345 /nfs/dbraw/zinc/19/83/45/237198345.db2.gz JHXNYWAOZZZHNP-XJKSGUPXSA-N 2 0 271.408 2.736 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435788719 240353262 /nfs/dbraw/zinc/35/32/62/240353262.db2.gz FRXMUHRJJHOBBF-BRXULGCHSA-N 2 0 262.372 2.611 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422781683 237201683 /nfs/dbraw/zinc/20/16/83/237201683.db2.gz MHWPEEQYPRLDHI-BBRMVZONSA-N 2 0 280.387 2.572 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782290 237202862 /nfs/dbraw/zinc/20/28/62/237202862.db2.gz GGHYYNQAWXJIEM-HOTGVXAUSA-N 3 0 289.467 2.888 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422783012 237203187 /nfs/dbraw/zinc/20/31/87/237203187.db2.gz GYVWHTOJPXRUDI-JZWPEALZSA-N 2 0 274.408 2.635 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422783589 237205462 /nfs/dbraw/zinc/20/54/62/237205462.db2.gz OLAAZIIDQKTDOR-QWHCGFSZSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1cccc(F)c1 ZINC000422783449 237206447 /nfs/dbraw/zinc/20/64/47/237206447.db2.gz HMEKOQUJLRAJJF-DNOWBOINSA-N 2 0 280.387 2.700 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)c[nH]c21 ZINC000422788698 237207939 /nfs/dbraw/zinc/20/79/39/237207939.db2.gz STALLWMOGMKHQO-DYVFJYSZSA-N 2 0 285.435 2.997 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422790618 237210875 /nfs/dbraw/zinc/21/08/75/237210875.db2.gz XQLIJRFVYHDDKI-JJRVBVJISA-N 2 0 276.424 2.919 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422793735 237216674 /nfs/dbraw/zinc/21/66/74/237216674.db2.gz SRGYZJRYULMZOU-INMHGKMJSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815467 237244532 /nfs/dbraw/zinc/24/45/32/237244532.db2.gz BVGXIZTXKCJSAK-YOEHRIQHSA-N 2 0 283.419 2.755 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422828984 237254086 /nfs/dbraw/zinc/25/40/86/237254086.db2.gz UGDPMDQVEDHBQE-WMZOPIPTSA-N 2 0 298.434 2.522 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422827410 237254184 /nfs/dbraw/zinc/25/41/84/237254184.db2.gz DOGVAGNLYWYQNC-ZBFHGGJFSA-N 2 0 290.455 2.548 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252412928 540562756 /nfs/dbraw/zinc/56/27/56/540562756.db2.gz BHKPGUXBXRLTSO-FUHWJXTLSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000422828230 237254692 /nfs/dbraw/zinc/25/46/92/237254692.db2.gz OAQWRUSBVIHREJ-TZMCWYRMSA-N 2 0 297.240 2.709 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422836155 237263150 /nfs/dbraw/zinc/26/31/50/237263150.db2.gz JJJXMXGCVJDJKP-MLGOLLRUSA-N 2 0 289.398 2.957 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422804291 237228739 /nfs/dbraw/zinc/22/87/39/237228739.db2.gz HFZCRXNTHZLVLK-MOPGFXCFSA-N 2 0 295.430 2.983 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)C ZINC000422813844 237239066 /nfs/dbraw/zinc/23/90/66/237239066.db2.gz SNCAAUYQYXOJKQ-RRFJBIMHSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000422855793 237276486 /nfs/dbraw/zinc/27/64/86/237276486.db2.gz FFJNSZGBBCOONK-DTTOXWODSA-N 2 0 287.451 2.841 20 0 CFADRP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)n1 ZINC000422861149 237282376 /nfs/dbraw/zinc/28/23/76/237282376.db2.gz MHPNRDBTFGTAJK-ZWKOTPCHSA-N 2 0 298.434 2.501 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1C ZINC000422860997 237283117 /nfs/dbraw/zinc/28/31/17/237283117.db2.gz NMNFJVBQLPPJEP-OAHLLOKOSA-N 2 0 278.440 2.616 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954081 540597103 /nfs/dbraw/zinc/59/71/03/540597103.db2.gz PGAWASKXPVQKNF-ZDUSSCGKSA-N 2 0 268.763 2.711 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666955463 540597221 /nfs/dbraw/zinc/59/72/21/540597221.db2.gz MKARWBQNOPDSGY-KRWDZBQOSA-N 2 0 286.419 2.707 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422839300 237266286 /nfs/dbraw/zinc/26/62/86/237266286.db2.gz ZSSRGBHVOWRYDI-CZUORRHYSA-N 2 0 280.387 2.702 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000422841860 237268880 /nfs/dbraw/zinc/26/88/80/237268880.db2.gz WXJPRCWGGPKTPY-STQMWFEESA-N 2 0 284.407 2.526 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000666857946 540587651 /nfs/dbraw/zinc/58/76/51/540587651.db2.gz QRJOJTLZHDBNBC-RYRKJORJSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@@]1(C)C[NH3+] ZINC000666984010 540603275 /nfs/dbraw/zinc/60/32/75/540603275.db2.gz KLQAYHDLXQZLFP-CXAGYDPISA-N 2 0 269.392 2.652 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1C ZINC000666993793 540603812 /nfs/dbraw/zinc/60/38/12/540603812.db2.gz KABXVECFNIWCOO-OAHLLOKOSA-N 2 0 274.408 2.768 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422883775 237305703 /nfs/dbraw/zinc/30/57/03/237305703.db2.gz RBQKBFNVFJWQTN-BRWVUGGUSA-N 3 0 281.488 2.606 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422887454 237309528 /nfs/dbraw/zinc/30/95/28/237309528.db2.gz YSTRZZCHJFNWJV-IXDOHACOSA-N 3 0 281.488 2.619 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422890674 237311673 /nfs/dbraw/zinc/31/16/73/237311673.db2.gz SVMCTHSYHGFGMW-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000332181484 283464099 /nfs/dbraw/zinc/46/40/99/283464099.db2.gz ABXFDERBVDTPLH-JQFCIGGWSA-N 2 0 274.408 2.877 20 0 CFADRP c1ccc2c(c1)CC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422901049 237322218 /nfs/dbraw/zinc/32/22/18/237322218.db2.gz BDKXTCJURPBSJG-LSVZVQIISA-N 2 0 256.393 2.589 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422903254 237324521 /nfs/dbraw/zinc/32/45/21/237324521.db2.gz FGYPBPYXLHBNAD-AWEZNQCLSA-N 2 0 294.464 2.655 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422909454 237332113 /nfs/dbraw/zinc/33/21/13/237332113.db2.gz FZIATMXEFRYOGK-SJORKVTESA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000422907869 237333974 /nfs/dbraw/zinc/33/39/74/237333974.db2.gz LPRJXDZTUFJJLI-BBRMVZONSA-N 2 0 264.388 2.879 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000422919247 237350331 /nfs/dbraw/zinc/35/03/31/237350331.db2.gz JJQKGFJGVBLMSD-GHMZBOCLSA-N 2 0 288.794 2.884 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423281957 283468319 /nfs/dbraw/zinc/46/83/19/283468319.db2.gz VOYROPMDCOWSTI-MAZHCROVSA-N 2 0 262.372 2.920 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422934323 237362605 /nfs/dbraw/zinc/36/26/05/237362605.db2.gz CLDKYTZVNYYBSV-WFASDCNBSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943543 237374268 /nfs/dbraw/zinc/37/42/68/237374268.db2.gz KRHIJYPZXJEEGZ-RYUDHWBXSA-N 2 0 254.805 2.988 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422939845 237368396 /nfs/dbraw/zinc/36/83/96/237368396.db2.gz GCINYLRJYFXUTI-APHBMKBZSA-N 2 0 296.842 2.615 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000422937888 237368791 /nfs/dbraw/zinc/36/87/91/237368791.db2.gz DCBYPXSQXUDQJS-CYBMUJFWSA-N 2 0 254.377 2.580 20 0 CFADRP FC(F)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422941749 237371181 /nfs/dbraw/zinc/37/11/81/237371181.db2.gz IHJHYSRCGHSWDL-PBWFPOADSA-N 2 0 296.361 2.703 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422941512 237371279 /nfs/dbraw/zinc/37/12/79/237371279.db2.gz JJJQXKNPXPFIBX-SWLSCSKDSA-N 2 0 282.815 2.826 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@H](C)CCC[NH3+])o2)cs1 ZINC000422941636 237372094 /nfs/dbraw/zinc/37/20/94/237372094.db2.gz JVQRMEGJQIQYQM-SNVBAGLBSA-N 2 0 279.409 2.929 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297333851 200152042 /nfs/dbraw/zinc/15/20/42/200152042.db2.gz JBRIWPWIRBAOFA-ZWKOTPCHSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422967092 237399908 /nfs/dbraw/zinc/39/99/08/237399908.db2.gz SHPXBKUEUBQDHZ-ROUUACIJSA-N 2 0 298.434 2.583 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)cc2)c2ccccc21 ZINC000422946685 237376435 /nfs/dbraw/zinc/37/64/35/237376435.db2.gz XDIKUMLCGYIAGU-IAGOWNOFSA-N 2 0 286.350 2.939 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422947486 237376912 /nfs/dbraw/zinc/37/69/12/237376912.db2.gz QGLOYCNBGKXYCW-RDJZCZTQSA-N 2 0 276.424 2.660 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422954642 237387051 /nfs/dbraw/zinc/38/70/51/237387051.db2.gz JMGHWJUXGQYAIP-RISCZKNCSA-N 2 0 270.779 2.739 20 0 CFADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385535 200171802 /nfs/dbraw/zinc/17/18/02/200171802.db2.gz AWNZVBLZUSGPGF-WCQYABFASA-N 2 0 299.296 2.534 20 0 CFADRP COC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422955104 237387218 /nfs/dbraw/zinc/38/72/18/237387218.db2.gz KWUCZPJPHGGXID-KDOFPFPSSA-N 2 0 299.418 2.887 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422959600 237391759 /nfs/dbraw/zinc/39/17/59/237391759.db2.gz SUSHXZMWYZHFHJ-HUUCEWRRSA-N 2 0 284.350 2.593 20 0 CFADRP CCOc1ncccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422964661 237394053 /nfs/dbraw/zinc/39/40/53/237394053.db2.gz MHUZUZZTMJLOOC-HOTGVXAUSA-N 2 0 283.375 2.715 20 0 CFADRP CCOc1ncccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422964663 237394485 /nfs/dbraw/zinc/39/44/85/237394485.db2.gz MHUZUZZTMJLOOC-JKSUJKDBSA-N 2 0 283.375 2.715 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000422967171 237396767 /nfs/dbraw/zinc/39/67/67/237396767.db2.gz BMFBEAXRKYBRFQ-OCCSQVGLSA-N 2 0 259.397 2.856 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000423142563 283479378 /nfs/dbraw/zinc/47/93/78/283479378.db2.gz AOGFNSPIWZENPS-VYDXJSESSA-N 2 0 258.409 2.824 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000297610968 200241108 /nfs/dbraw/zinc/24/11/08/200241108.db2.gz INLKHTQYAIPCQO-HIFRSBDPSA-N 2 0 295.496 2.591 20 0 CFADRP [NH3+]CCC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000517035905 540669755 /nfs/dbraw/zinc/66/97/55/540669755.db2.gz SZDWCRYSRXXIBI-UHFFFAOYSA-N 2 0 268.445 2.787 20 0 CFADRP FCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297768711 200278596 /nfs/dbraw/zinc/27/85/96/200278596.db2.gz VKRNBDKJHZCUFE-UHFFFAOYSA-N 2 0 273.355 2.716 20 0 CFADRP c1cc(C[N@@H+]2CCC3(CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000380541865 540688571 /nfs/dbraw/zinc/68/85/71/540688571.db2.gz SSRZMOIRCNZRAA-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP C[NH2+]CCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000435873952 240362976 /nfs/dbraw/zinc/36/29/76/240362976.db2.gz YKQFEZCRTFQEDC-UHFFFAOYSA-N 2 0 282.815 2.545 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c[nH]1 ZINC000176834641 189010716 /nfs/dbraw/zinc/01/07/16/189010716.db2.gz AWRVIZNZJMPLTA-GOSISDBHSA-N 2 0 283.419 2.669 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000423479308 299311482 /nfs/dbraw/zinc/31/14/82/299311482.db2.gz UYTJKTJHTNYBNZ-YLQAJVPDSA-N 2 0 276.399 2.907 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000435874142 240363267 /nfs/dbraw/zinc/36/32/67/240363267.db2.gz ZGPXLDXYTQYRKG-UHFFFAOYSA-N 2 0 260.425 2.941 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccsc1 ZINC000178378925 189111567 /nfs/dbraw/zinc/11/15/67/189111567.db2.gz ZVPRNNUHOQFAII-OCCSQVGLSA-N 2 0 270.442 2.756 20 0 CFADRP COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000178667717 189135909 /nfs/dbraw/zinc/13/59/09/189135909.db2.gz BUZNOONUBWELHH-GJZGRUSLSA-N 2 0 294.439 2.560 20 0 CFADRP COC[C@@H](C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178669810 189136243 /nfs/dbraw/zinc/13/62/43/189136243.db2.gz RXKFVFGJBGPKBD-LSDHHAIUSA-N 2 0 294.439 2.560 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000683927076 540788161 /nfs/dbraw/zinc/78/81/61/540788161.db2.gz QBAFGYUCQUQYRA-CQSZACIVSA-N 2 0 271.408 2.988 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423122881 296020982 /nfs/dbraw/zinc/02/09/82/296020982.db2.gz LKECXXXZDIXRIJ-OCVGTWLNSA-N 2 0 262.397 2.622 20 0 CFADRP C[NH2+]CCCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000435873497 240364061 /nfs/dbraw/zinc/36/40/61/240364061.db2.gz DOISEDAYYRJQSQ-UHFFFAOYSA-N 2 0 297.446 2.567 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000414807280 540829048 /nfs/dbraw/zinc/82/90/48/540829048.db2.gz IWTIWODKMGQMFC-CYBMUJFWSA-N 2 0 255.365 2.700 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000385731757 540819330 /nfs/dbraw/zinc/81/93/30/540819330.db2.gz OSWFHOMMCHLMQY-NJZAAPMLSA-N 2 0 264.800 2.818 20 0 CFADRP O=C(c1ccccc1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178956719 189157117 /nfs/dbraw/zinc/15/71/17/189157117.db2.gz ITLIINJUHIJZMB-UHFFFAOYSA-N 2 0 286.419 2.581 20 0 CFADRP c1[nH]nc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc12 ZINC000423098993 238199781 /nfs/dbraw/zinc/19/97/81/238199781.db2.gz DRAVWMQDZRJLHT-GVDBMIGSSA-N 2 0 298.434 2.616 20 0 CFADRP c1ccc(C[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178957978 189157385 /nfs/dbraw/zinc/15/73/85/189157385.db2.gz IQVNCEBKOLLTBK-QGZVFWFLSA-N 2 0 258.409 2.551 20 0 CFADRP CC[N@H+](CCC[NH2+]C)[C@H](C)c1cccc(OC)c1 ZINC000435876678 240364909 /nfs/dbraw/zinc/36/49/09/240364909.db2.gz ZHOVRDQBDUKOBW-CYBMUJFWSA-N 2 0 250.386 2.688 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000414910490 540830194 /nfs/dbraw/zinc/83/01/94/540830194.db2.gz CXTHQAZZMPXWEI-CHWSQXEVSA-N 2 0 288.370 2.575 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)c2ccccc21 ZINC000423121458 238212806 /nfs/dbraw/zinc/21/28/06/238212806.db2.gz IJAJZDANMRDTQS-NSNWQYSKSA-N 2 0 274.408 2.520 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccc(F)cc2F)C1 ZINC000414911304 540830586 /nfs/dbraw/zinc/83/05/86/540830586.db2.gz DUEPDRVXLHNUIP-FGXVQYDJSA-N 2 0 266.335 2.838 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000414925777 540831085 /nfs/dbraw/zinc/83/10/85/540831085.db2.gz MCYWHMZQVGTSHS-GHMZBOCLSA-N 2 0 267.442 2.800 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000414930538 540831107 /nfs/dbraw/zinc/83/11/07/540831107.db2.gz SUMQMXQNWIYKJR-CHWSQXEVSA-N 2 0 288.420 2.565 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414922016 540831164 /nfs/dbraw/zinc/83/11/64/540831164.db2.gz GAKSHHJISAKAGS-CVEARBPZSA-N 2 0 284.407 2.745 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423126837 238217656 /nfs/dbraw/zinc/21/76/56/238217656.db2.gz OXNNNHLUTZDXBC-RRFJBIMHSA-N 2 0 264.413 2.697 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc(-c3ccccn3)s2)C1 ZINC000414933507 540831701 /nfs/dbraw/zinc/83/17/01/540831701.db2.gz WYFLPMBZHBMURR-NWDGAFQWSA-N 2 0 288.420 2.565 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2c1 ZINC000414934014 540831971 /nfs/dbraw/zinc/83/19/71/540831971.db2.gz XOWYWBVLVNPFAV-CHWSQXEVSA-N 2 0 274.364 2.801 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423130613 238219862 /nfs/dbraw/zinc/21/98/62/238219862.db2.gz GWVFHEXWSSJOTM-LLLHUVSDSA-N 2 0 258.409 2.910 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423131160 238219882 /nfs/dbraw/zinc/21/98/82/238219882.db2.gz ZKVFXXINLWRUHC-NCOADZHNSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423107653 238203770 /nfs/dbraw/zinc/20/37/70/238203770.db2.gz LFPCHMPHNQETAS-OVYGPGRDSA-N 2 0 280.456 2.559 20 0 CFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423113882 238208549 /nfs/dbraw/zinc/20/85/49/238208549.db2.gz UVMQZYNIUDHHRR-UNQWWWNPSA-N 2 0 288.435 2.535 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC1CCOCC1 ZINC000423144008 238230410 /nfs/dbraw/zinc/23/04/10/238230410.db2.gz FWMGENXMXMYNFZ-YJBOKZPZSA-N 2 0 290.451 2.741 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]3C[NH3+])C2)c1 ZINC000423152673 238239156 /nfs/dbraw/zinc/23/91/56/238239156.db2.gz GDTYIJYMTXMFEI-ANQUJSFKSA-N 2 0 274.408 2.658 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670266847 540848291 /nfs/dbraw/zinc/84/82/91/540848291.db2.gz CTPAVLDRTXLOBY-AWEZNQCLSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000449084238 291241275 /nfs/dbraw/zinc/24/12/75/291241275.db2.gz XDSDSNHAQGIHMP-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000670268579 540849943 /nfs/dbraw/zinc/84/99/43/540849943.db2.gz RKFYOTAGWQCVEH-ZIAGYGMSSA-N 2 0 258.450 2.615 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577412372 540852423 /nfs/dbraw/zinc/85/24/23/540852423.db2.gz OYVKWYOMIBUHEK-KGLIPLIRSA-N 2 0 264.438 2.811 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000423171659 238251929 /nfs/dbraw/zinc/25/19/29/238251929.db2.gz PKVGXQGNBBBKLG-BBRMVZONSA-N 2 0 275.440 2.857 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[C@@H](C)O1 ZINC000423174233 238253037 /nfs/dbraw/zinc/25/30/37/238253037.db2.gz BSZBXVWKYNBDFX-FFWIBEFTSA-N 2 0 280.456 2.700 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423178323 238254668 /nfs/dbraw/zinc/25/46/68/238254668.db2.gz BTVORNBJFLQSDT-MKXGPGLRSA-N 2 0 299.462 2.524 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158353 238243078 /nfs/dbraw/zinc/24/30/78/238243078.db2.gz WLVMOUCVKNTVLR-HZMBPMFUSA-N 2 0 286.778 2.575 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(C)C ZINC000423159519 238244594 /nfs/dbraw/zinc/24/45/94/238244594.db2.gz YFQLBPWVWWDFTN-RBOXIYTFSA-N 2 0 261.413 2.791 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](OC)C(C)(C)C)CC1 ZINC000154899332 540871349 /nfs/dbraw/zinc/87/13/49/540871349.db2.gz NRHGFPPICRJXBF-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423204426 238276968 /nfs/dbraw/zinc/27/69/68/238276968.db2.gz AQOKVDMSKGCJCR-KCQAQPDRSA-N 2 0 274.408 2.756 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000387340970 540862380 /nfs/dbraw/zinc/86/23/80/540862380.db2.gz VFFXGKCVDZHXAK-QGZVFWFLSA-N 2 0 292.467 2.689 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423227816 238291680 /nfs/dbraw/zinc/29/16/80/238291680.db2.gz XCNHEHVCNQMCJG-UWVGGRQHSA-N 2 0 276.302 2.973 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Br)s1 ZINC000423229178 238294055 /nfs/dbraw/zinc/29/40/55/238294055.db2.gz GQKNDXCVWAVPNU-JGVFFNPUSA-N 2 0 277.231 2.899 20 0 CFADRP C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1cccc(O)c1 ZINC000423234743 238298389 /nfs/dbraw/zinc/29/83/89/238298389.db2.gz GBIMGTPGYTUSMX-BLLLJJGKSA-N 2 0 256.349 2.743 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423221276 238287180 /nfs/dbraw/zinc/28/71/80/238287180.db2.gz ZPTDACJHBCOCFM-JSGCOSHPSA-N 2 0 278.444 2.597 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423245881 238303374 /nfs/dbraw/zinc/30/33/74/238303374.db2.gz YVRYNFXZAXXNFN-ODVANORSSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423249948 238308973 /nfs/dbraw/zinc/30/89/73/238308973.db2.gz PPKDFTMUUUAKMI-AEFFLSMTSA-N 2 0 272.436 2.905 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166429155 540906659 /nfs/dbraw/zinc/90/66/59/540906659.db2.gz OBMAZHSZQSBTMM-DLBZAZTESA-N 2 0 288.435 2.980 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc2)nc1 ZINC000423252703 238310009 /nfs/dbraw/zinc/31/00/09/238310009.db2.gz UJASPUYRCODJSO-KDOFPFPSSA-N 2 0 299.393 2.899 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000423254979 238312950 /nfs/dbraw/zinc/31/29/50/238312950.db2.gz AFSGBUKFZPCSFR-OLZOCXBDSA-N 2 0 280.387 2.875 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423257631 238314149 /nfs/dbraw/zinc/31/41/49/238314149.db2.gz KKDVNNWAEQODOG-MLGOLLRUSA-N 2 0 262.372 2.792 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1C ZINC000423262502 238316442 /nfs/dbraw/zinc/31/64/42/238316442.db2.gz VNOOWBWHEAWZBK-DOMZBBRYSA-N 2 0 278.444 2.560 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423261413 238316508 /nfs/dbraw/zinc/31/65/08/238316508.db2.gz SGGNELSQYVYTEG-KBPBESRZSA-N 2 0 293.430 2.932 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1F ZINC000423264138 238321201 /nfs/dbraw/zinc/32/12/01/238321201.db2.gz YFNVBAGUBADLLU-CHWSQXEVSA-N 2 0 280.387 2.875 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000423283179 238342528 /nfs/dbraw/zinc/34/25/28/238342528.db2.gz DUAWJCDNCKPKMA-NEPJUHHUSA-N 2 0 280.412 2.523 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000389204005 540936358 /nfs/dbraw/zinc/93/63/58/540936358.db2.gz AOFAGCOGJFVEHW-HOCLYGCPSA-N 2 0 262.372 2.887 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388595464 540923873 /nfs/dbraw/zinc/92/38/73/540923873.db2.gz MWCOGYJBDXNUJN-RDJZCZTQSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000388755794 540926058 /nfs/dbraw/zinc/92/60/58/540926058.db2.gz KPZQIVNGLNTAIY-WWGRRREGSA-N 2 0 262.372 2.948 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000388858847 540928083 /nfs/dbraw/zinc/92/80/83/540928083.db2.gz AFUKSNUTRJJJTB-PVAVHDDUSA-N 2 0 258.409 2.851 20 0 CFADRP c1cc2cnccc2c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157521576 540954282 /nfs/dbraw/zinc/95/42/82/540954282.db2.gz SHUSPUWRYLGSDP-IAGOWNOFSA-N 2 0 281.403 2.951 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000423290473 238350075 /nfs/dbraw/zinc/35/00/75/238350075.db2.gz DCDHDIHJPNOHPC-QWHCGFSZSA-N 2 0 272.396 2.774 20 0 CFADRP CCn1cc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000423290474 238351782 /nfs/dbraw/zinc/35/17/82/238351782.db2.gz DCDHDIHJPNOHPC-STQMWFEESA-N 2 0 272.396 2.774 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])ccc1OC(F)F ZINC000423296897 238353823 /nfs/dbraw/zinc/35/38/23/238353823.db2.gz HXSPVANUCJOHIX-NXEZZACHSA-N 2 0 288.338 2.542 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423324732 238379000 /nfs/dbraw/zinc/37/90/00/238379000.db2.gz IXASGAGNQCYVNK-OAHLLOKOSA-N 2 0 274.408 2.662 20 0 CFADRP Fc1ccc(C[C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423329642 238380619 /nfs/dbraw/zinc/38/06/19/238380619.db2.gz TVONSOCYVAVILZ-SFHVURJKSA-N 2 0 284.378 2.919 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423328013 238381384 /nfs/dbraw/zinc/38/13/84/238381384.db2.gz NQCNDWPKXCTHFQ-CYBMUJFWSA-N 2 0 272.396 2.570 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423331811 238382759 /nfs/dbraw/zinc/38/27/59/238382759.db2.gz CYYUCACOVICANJ-ZIAGYGMSSA-N 2 0 274.408 2.697 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000423333195 238384750 /nfs/dbraw/zinc/38/47/50/238384750.db2.gz DWEYFFAENBZEHQ-JTQLQIEISA-N 2 0 252.308 2.535 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(OC)c1 ZINC000423337847 238388404 /nfs/dbraw/zinc/38/84/04/238388404.db2.gz UGAAPTOYGAEEKF-ZDUSSCGKSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423336346 238388722 /nfs/dbraw/zinc/38/87/22/238388722.db2.gz SIXLIQVPCMUBNM-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000423317466 238369898 /nfs/dbraw/zinc/36/98/98/238369898.db2.gz BMQLXOTXISYEFI-DLBZAZTESA-N 2 0 258.409 2.962 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[NH3+] ZINC000423319677 238371235 /nfs/dbraw/zinc/37/12/35/238371235.db2.gz CSGVFJXMBVAHQE-LLVKDONJSA-N 2 0 290.436 2.903 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000423289122 296030421 /nfs/dbraw/zinc/03/04/21/296030421.db2.gz AIUPVYHLPDQLNF-VDNDLQMASA-N 2 0 286.419 2.754 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1([NH3+])CCC1 ZINC000423339940 238391699 /nfs/dbraw/zinc/39/16/99/238391699.db2.gz XDVZQBNQZCWGNR-LLVKDONJSA-N 2 0 268.351 2.757 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)ccc1SC ZINC000423345184 238394042 /nfs/dbraw/zinc/39/40/42/238394042.db2.gz NSLLITPRWCFYDT-LBPRGKRZSA-N 2 0 292.448 2.987 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423416691 238449256 /nfs/dbraw/zinc/44/92/56/238449256.db2.gz DDPVYAQWNQFVRY-MGPQQGTHSA-N 2 0 250.386 2.565 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000312585529 541035220 /nfs/dbraw/zinc/03/52/20/541035220.db2.gz QFMOIFHDJIMEOE-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP CCC1(CC)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311504476 541028845 /nfs/dbraw/zinc/02/88/45/541028845.db2.gz XSQFPLGXDJWDQC-HNNXBMFYSA-N 2 0 270.461 2.590 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423558544 238529968 /nfs/dbraw/zinc/52/99/68/238529968.db2.gz NZGUUDKXLOZWFH-KRWDZBQOSA-N 2 0 256.393 2.882 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000671751215 541078565 /nfs/dbraw/zinc/07/85/65/541078565.db2.gz QOQGOJRQFFNIAG-IZTSSTLKSA-N 2 0 280.456 2.533 20 0 CFADRP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000671754274 541086338 /nfs/dbraw/zinc/08/63/38/541086338.db2.gz OUXRICNXBWCLMY-MANSERQUSA-N 2 0 299.462 2.636 20 0 CFADRP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000671754275 541086536 /nfs/dbraw/zinc/08/65/36/541086536.db2.gz OUXRICNXBWCLMY-MKXGPGLRSA-N 2 0 299.462 2.636 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000184460457 189386461 /nfs/dbraw/zinc/38/64/61/189386461.db2.gz HLNCANPCXFKEQC-KEYYUXOJSA-N 2 0 293.430 2.946 20 0 CFADRP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccccc12 ZINC000184828212 189397003 /nfs/dbraw/zinc/39/70/03/189397003.db2.gz ZKNXXPMEOIRUFM-OAHLLOKOSA-N 2 0 298.434 2.673 20 0 CFADRP CCC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccnc1 ZINC000184899609 189398074 /nfs/dbraw/zinc/39/80/74/189398074.db2.gz SPCQEIBTLQJFAG-INIZCTEOSA-N 2 0 261.413 2.998 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000666645429 541125994 /nfs/dbraw/zinc/12/59/94/541125994.db2.gz SMFAFFGAUBTIMB-MSOLQXFVSA-N 2 0 289.467 2.566 20 0 CFADRP CC[C@H](C)Oc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OC ZINC000666825530 541148236 /nfs/dbraw/zinc/14/82/36/541148236.db2.gz ZQDOLWIWEDBZEG-OLZOCXBDSA-N 2 0 280.412 2.557 20 0 CFADRP CC(C)(C)c1nc(CN[C@@H]2CCC[NH2+]CC2)cs1 ZINC000666855266 541151765 /nfs/dbraw/zinc/15/17/65/541151765.db2.gz HZIXCXGESLVGEN-LLVKDONJSA-N 2 0 267.442 2.672 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857727 541152716 /nfs/dbraw/zinc/15/27/16/541152716.db2.gz HDYSNMNATLDFMC-KGLIPLIRSA-N 2 0 286.423 2.616 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000666857995 541153667 /nfs/dbraw/zinc/15/36/67/541153667.db2.gz SLGVFHMUWMNDJB-CABCVRRESA-N 2 0 264.800 2.539 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666753718 541139420 /nfs/dbraw/zinc/13/94/20/541139420.db2.gz BYVVRKUEKBHLND-ZDUSSCGKSA-N 2 0 262.397 2.660 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000666920443 541160476 /nfs/dbraw/zinc/16/04/76/541160476.db2.gz HSSGLLCHACXPFW-PBHICJAKSA-N 2 0 296.418 2.751 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952140 541165998 /nfs/dbraw/zinc/16/59/98/541165998.db2.gz HNWVTEKXWDHLIT-INIZCTEOSA-N 2 0 274.408 2.706 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952252 541166092 /nfs/dbraw/zinc/16/60/92/541166092.db2.gz MPSTZTMPZCIVOT-CYBMUJFWSA-N 2 0 268.763 2.711 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952095 541166100 /nfs/dbraw/zinc/16/61/00/541166100.db2.gz FRXHFNHVWLZCJR-MRXNPFEDSA-N 2 0 296.418 2.617 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc2cccnc12 ZINC000666953910 541166472 /nfs/dbraw/zinc/16/64/72/541166472.db2.gz KVLYPGBKEWIVMM-INIZCTEOSA-N 2 0 281.403 2.775 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954167 541166710 /nfs/dbraw/zinc/16/67/10/541166710.db2.gz RBIYEKDERNGPHJ-CQSZACIVSA-N 2 0 264.800 2.880 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666955554 541167270 /nfs/dbraw/zinc/16/72/70/541167270.db2.gz ZMVFPXYEBXQERE-CQSZACIVSA-N 2 0 264.800 2.880 20 0 CFADRP c1cn(-c2ccccc2)c(CN[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000666993986 541170915 /nfs/dbraw/zinc/17/09/15/541170915.db2.gz ZQIPDMOTRDPKQV-HNNXBMFYSA-N 2 0 296.418 2.637 20 0 CFADRP c1ccc([C@@H]2C[C@@H](N[C@H]3CC[NH2+]C4(CCC4)C3)CC[NH2+]2)cc1 ZINC000666993903 541170941 /nfs/dbraw/zinc/17/09/41/541170941.db2.gz SGGSLDCUWUUNKJ-BZSNNMDCSA-N 3 0 299.462 2.744 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000666995468 541171354 /nfs/dbraw/zinc/17/13/54/541171354.db2.gz OOROHABLGOAYEB-GDBMZVCRSA-N 2 0 290.455 2.659 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000666995470 541171636 /nfs/dbraw/zinc/17/16/36/541171636.db2.gz OOROHABLGOAYEB-HOCLYGCPSA-N 2 0 290.455 2.659 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000666903237 541158350 /nfs/dbraw/zinc/15/83/50/541158350.db2.gz ATNSINXXUKYYBK-HUUCEWRRSA-N 2 0 274.408 2.675 20 0 CFADRP c1cc2cc(C[NH2+]CCC[C@H]3CCC[NH2+]3)ccc2cn1 ZINC000666904064 541158452 /nfs/dbraw/zinc/15/84/52/541158452.db2.gz BEJJEMZGUCFALK-KRWDZBQOSA-N 2 0 269.392 2.857 20 0 CFADRP FC(F)(F)c1cccnc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000666903255 541158564 /nfs/dbraw/zinc/15/85/64/541158564.db2.gz GEHCHBPFKYMQSH-NSHDSACASA-N 2 0 287.329 2.722 20 0 CFADRP CCCn1nccc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000667501717 541246021 /nfs/dbraw/zinc/24/60/21/541246021.db2.gz HZUXCRYHFKMVNR-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](Cc2cnc3n2CCC3)CC1 ZINC000667618352 541269189 /nfs/dbraw/zinc/26/91/89/541269189.db2.gz VYNDBSUFEKNMTK-OAHLLOKOSA-N 2 0 277.412 2.610 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187983141 189484116 /nfs/dbraw/zinc/48/41/16/189484116.db2.gz DZGPEUFPYOXWFH-WMLDXEAASA-N 2 0 293.430 2.502 20 0 CFADRP C(CC[NH2+][C@H]1CO[C@H](C2CC2)C1)CC[NH+]1CCCCC1 ZINC000667838647 541325914 /nfs/dbraw/zinc/32/59/14/541325914.db2.gz ZHZAKVURGVNRGJ-SJORKVTESA-N 2 0 280.456 2.800 20 0 CFADRP C1CC1[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000667896590 541336925 /nfs/dbraw/zinc/33/69/25/541336925.db2.gz WMMIWCLGMHBNFR-RDJZCZTQSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3CC(O)C3)CC2)C1 ZINC000432411474 240002517 /nfs/dbraw/zinc/00/25/17/240002517.db2.gz YMWURJQQLVELFD-JYDDWQFKSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432417857 240002727 /nfs/dbraw/zinc/00/27/27/240002727.db2.gz XODQPQPNSREYRB-LBDPXKHJSA-N 2 0 282.472 2.900 20 0 CFADRP CC1=C[C@@H](C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668098370 541381845 /nfs/dbraw/zinc/38/18/45/541381845.db2.gz HBEOQMUTPYGRTF-CYBMUJFWSA-N 2 0 268.364 2.665 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000432823772 240052231 /nfs/dbraw/zinc/05/22/31/240052231.db2.gz QXJAHNXEURXPJI-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC1(C)CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000433243184 240134369 /nfs/dbraw/zinc/13/43/69/240134369.db2.gz RUYWPMDNCFBERA-KRWDZBQOSA-N 2 0 288.435 2.531 20 0 CFADRP CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435380090 240305722 /nfs/dbraw/zinc/30/57/22/240305722.db2.gz MAHUIGXEQZRHCP-HNNXBMFYSA-N 2 0 272.396 2.527 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435377323 240307902 /nfs/dbraw/zinc/30/79/02/240307902.db2.gz AHKRVYBPZQCJAC-UKRRQHHQSA-N 2 0 288.435 2.959 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000435377324 240307988 /nfs/dbraw/zinc/30/79/88/240307988.db2.gz AHKRVYBPZQCJAC-ZFWWWQNUSA-N 2 0 288.435 2.959 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000434757603 240268233 /nfs/dbraw/zinc/26/82/33/240268233.db2.gz GYTKGUXQHBDTES-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435386885 240310733 /nfs/dbraw/zinc/31/07/33/240310733.db2.gz VYUZTSGBSIGTAT-OAHLLOKOSA-N 2 0 250.361 2.790 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1C ZINC000435122825 240288973 /nfs/dbraw/zinc/28/89/73/240288973.db2.gz CJPMNBZVQZVDQR-CHWSQXEVSA-N 2 0 288.395 2.584 20 0 CFADRP COc1ccc(OCCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435618791 240331767 /nfs/dbraw/zinc/33/17/67/240331767.db2.gz UUJUQRXYDOEDBD-HNNXBMFYSA-N 2 0 292.423 2.538 20 0 CFADRP NC1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC1 ZINC000435721250 240343818 /nfs/dbraw/zinc/34/38/18/240343818.db2.gz BQKYUICIDWPVNY-UHFFFAOYSA-N 2 0 298.390 2.670 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435395280 240312138 /nfs/dbraw/zinc/31/21/38/240312138.db2.gz RSPKJWISSQPVTB-HNNXBMFYSA-N 2 0 262.397 2.659 20 0 CFADRP C[N@H+](C/C=C/c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435438016 240314126 /nfs/dbraw/zinc/31/41/26/240314126.db2.gz NINOCWQAWZQKDE-CWDCEQMOSA-N 2 0 262.372 2.913 20 0 CFADRP COc1ccc([C@H](C)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435435476 240314603 /nfs/dbraw/zinc/31/46/03/240314603.db2.gz BKUGTZQBJCYADQ-GDBMZVCRSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435446839 240315450 /nfs/dbraw/zinc/31/54/50/240315450.db2.gz MHDWWXKECFXPBB-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000275335190 193002184 /nfs/dbraw/zinc/00/21/84/193002184.db2.gz WTCVXEYGHLAPJE-QZTJIDSGSA-N 2 0 287.451 2.739 20 0 CFADRP Cc1ccncc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000275335194 193003381 /nfs/dbraw/zinc/00/33/81/193003381.db2.gz WTCVXEYGHLAPJE-ZWKOTPCHSA-N 2 0 287.451 2.739 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000275798629 193130871 /nfs/dbraw/zinc/13/08/71/193130871.db2.gz ZRDRAIKMUFOWAQ-ZIAGYGMSSA-N 2 0 264.388 2.813 20 0 CFADRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000442871260 241009658 /nfs/dbraw/zinc/00/96/58/241009658.db2.gz FDMYPEKPZGBEBZ-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2ccccc2)n1 ZINC000442932981 241020936 /nfs/dbraw/zinc/02/09/36/241020936.db2.gz ZESOAIRHXVFSIF-HNNXBMFYSA-N 2 0 298.434 2.648 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C)N(C)C ZINC000443198671 241048521 /nfs/dbraw/zinc/04/85/21/241048521.db2.gz RUUYWNKVJJPMKX-ONIAQPFYSA-N 2 0 289.467 2.526 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000335155452 299363054 /nfs/dbraw/zinc/36/30/54/299363054.db2.gz IAQUVVJXSLFZND-BLLLJJGKSA-N 2 0 258.409 2.997 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CCCC1 ZINC000446934356 241340626 /nfs/dbraw/zinc/34/06/26/241340626.db2.gz ADFVSJSBIKZAQZ-OAGGEKHMSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCOCC[NH+](C)C)cc(C)c1F ZINC000447590504 241389439 /nfs/dbraw/zinc/38/94/39/241389439.db2.gz CXWGJEMRUDBGHU-AWEZNQCLSA-N 2 0 282.403 2.671 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601847 241391645 /nfs/dbraw/zinc/39/16/45/241391645.db2.gz RMMVAXGSMCRSJN-CXAGYDPISA-N 2 0 294.414 2.617 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCO[C@H](c2cccs2)C1 ZINC000449626254 242073771 /nfs/dbraw/zinc/07/37/71/242073771.db2.gz PJUVQAYTRRVYLT-RFGFWPKPSA-N 2 0 280.437 2.508 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000449526941 242004501 /nfs/dbraw/zinc/00/45/01/242004501.db2.gz GCCOZAOQAZFYMU-UHFFFAOYSA-N 2 0 292.349 2.639 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000449555286 242026829 /nfs/dbraw/zinc/02/68/29/242026829.db2.gz QSUIPGBJUPAUIN-DYVFJYSZSA-N 2 0 276.399 2.749 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC1CCOCC1 ZINC000449559651 242029066 /nfs/dbraw/zinc/02/90/66/242029066.db2.gz CJVRKRFCWOEVJR-HZTRTUMWSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3CO)CC2)C1 ZINC000449712078 242117957 /nfs/dbraw/zinc/11/79/57/242117957.db2.gz PWAOVHUJKOYHBD-BURFUSLBSA-N 2 0 294.483 2.780 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCCC2)CC1 ZINC000449738194 242127436 /nfs/dbraw/zinc/12/74/36/242127436.db2.gz ZVGPSXFFNJSDHJ-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@]1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCC[NH2+]C1 ZINC000423339608 291390084 /nfs/dbraw/zinc/39/00/84/291390084.db2.gz LJUOQUJZTGHHAI-CVEARBPZSA-N 2 0 277.387 2.651 20 0 CFADRP CC(C)(C)OCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000674908372 541605276 /nfs/dbraw/zinc/60/52/76/541605276.db2.gz AFCVLCCUHKOLCC-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CN(C)c1ccccc1C[N@H+](C)CCCc1cncn1C ZINC000571294976 383681821 /nfs/dbraw/zinc/68/18/21/383681821.db2.gz LEQQNMNMVUEAAJ-UHFFFAOYSA-N 2 0 286.423 2.551 20 0 CFADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCOC1 ZINC000334891729 296113250 /nfs/dbraw/zinc/11/32/50/296113250.db2.gz OOVKZRBRKWPPMX-CHWSQXEVSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1N(C)C ZINC000423221856 296114039 /nfs/dbraw/zinc/11/40/39/296114039.db2.gz YLPHOSIEKOJEIP-IYXRBSQSSA-N 2 0 261.413 2.673 20 0 CFADRP CO[C@H](CC(C)C)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000419230298 294368290 /nfs/dbraw/zinc/36/82/90/294368290.db2.gz PQUZSUKFOCSTTK-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)C1(c2ccccc2)CCCC1 ZINC000423301556 296120713 /nfs/dbraw/zinc/12/07/13/296120713.db2.gz HMKNUHIYTATLII-CQSZACIVSA-N 2 0 258.409 2.696 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)c1ccccc1Cl ZINC000675645459 541675251 /nfs/dbraw/zinc/67/52/51/541675251.db2.gz NESJOHKFPHOQPI-KCPJHIHWSA-N 2 0 282.815 2.567 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cncs1 ZINC000358062530 296122318 /nfs/dbraw/zinc/12/23/18/296122318.db2.gz NANZUHHGAKQASD-MGPQQGTHSA-N 2 0 297.468 2.683 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000675736936 541686299 /nfs/dbraw/zinc/68/62/99/541686299.db2.gz NPEGHYVZDGJAEW-MRXNPFEDSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H]([NH2+]CCOc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000675765779 541689932 /nfs/dbraw/zinc/68/99/32/541689932.db2.gz QVVXLOQIIGRIAJ-ZDUSSCGKSA-N 2 0 280.387 2.524 20 0 CFADRP COC1CCN(CC[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000675776914 541692344 /nfs/dbraw/zinc/69/23/44/541692344.db2.gz PPKJJGMLPWSRCU-KDOFPFPSSA-N 2 0 288.435 2.935 20 0 CFADRP Cc1nc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)nc2ccccc12 ZINC000675805473 541696758 /nfs/dbraw/zinc/69/67/58/541696758.db2.gz QVFZAVSFGOIMCF-CYBMUJFWSA-N 2 0 298.434 2.758 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccsc1 ZINC000453054411 243378812 /nfs/dbraw/zinc/37/88/12/243378812.db2.gz BUCLPHIOIWMCSV-HOCLYGCPSA-N 2 0 295.496 2.815 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccsc1 ZINC000453054410 243379372 /nfs/dbraw/zinc/37/93/72/243379372.db2.gz BUCLPHIOIWMCSV-GOEBONIOSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H]1CCCN(CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453059760 243380272 /nfs/dbraw/zinc/38/02/72/243380272.db2.gz NFAZWSJFVGNOJA-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1N(C)C ZINC000423557637 296124019 /nfs/dbraw/zinc/12/40/19/296124019.db2.gz NKSNEHOCLGZXIN-CYBMUJFWSA-N 2 0 261.413 2.545 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccncn1 ZINC000453076359 243390897 /nfs/dbraw/zinc/39/08/97/243390897.db2.gz HNNMCOVIRKYPDT-OAHLLOKOSA-N 2 0 296.418 2.923 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000453081040 243393972 /nfs/dbraw/zinc/39/39/72/243393972.db2.gz DUWWEBRCGDDEMH-HUUCEWRRSA-N 2 0 270.461 2.638 20 0 CFADRP Cc1ccc2ccccc2c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000675885016 541702931 /nfs/dbraw/zinc/70/29/31/541702931.db2.gz DFWDQSAEVARVRT-HOTGVXAUSA-N 2 0 266.388 2.799 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCCC[NH+](C)C ZINC000453094789 243398499 /nfs/dbraw/zinc/39/84/99/243398499.db2.gz SZWRRGDDJWBKPC-HNNXBMFYSA-N 2 0 263.429 2.724 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414757535 284084687 /nfs/dbraw/zinc/08/46/87/284084687.db2.gz SSJBIICQJFWJQI-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422727052 296132328 /nfs/dbraw/zinc/13/23/28/296132328.db2.gz BJVXIXCTQVIICE-KBAYOESNSA-N 2 0 287.451 2.554 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161622046 541725056 /nfs/dbraw/zinc/72/50/56/541725056.db2.gz NIJRSUSBUAZFKA-VBQJREDUSA-N 2 0 286.419 2.899 20 0 CFADRP CC[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000456286413 244125937 /nfs/dbraw/zinc/12/59/37/244125937.db2.gz VKIKOISKSCLKNB-HZPDHXFCSA-N 2 0 289.423 2.514 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000676725730 541783110 /nfs/dbraw/zinc/78/31/10/541783110.db2.gz VTVCQUCSAZNACH-UHFFFAOYSA-N 2 0 286.423 2.773 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]21 ZINC000228536289 189794046 /nfs/dbraw/zinc/79/40/46/189794046.db2.gz DLYFAUKBDJXCQY-BRWVUGGUSA-N 2 0 281.403 2.794 20 0 CFADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000276140183 193224721 /nfs/dbraw/zinc/22/47/21/193224721.db2.gz BEIUGUSTPJBCOT-INIZCTEOSA-N 2 0 289.423 2.561 20 0 CFADRP CC(C)CCC[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000276241111 193253471 /nfs/dbraw/zinc/25/34/71/193253471.db2.gz ODUFYMAVLSGXIP-UHFFFAOYSA-N 2 0 279.428 2.548 20 0 CFADRP CC(C)OC1CC([N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1 ZINC000459348081 245153445 /nfs/dbraw/zinc/15/34/45/245153445.db2.gz WBXRXWLEIIOZTG-FHERZECASA-N 2 0 289.423 2.771 20 0 CFADRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)no1 ZINC000459407907 245168927 /nfs/dbraw/zinc/16/89/27/245168927.db2.gz VZAXWAHDYRCVBD-UHFFFAOYSA-N 2 0 265.401 2.729 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459400993 245165414 /nfs/dbraw/zinc/16/54/14/245165414.db2.gz CYOLRBVZKVQFBY-UHFFFAOYSA-N 2 0 292.471 2.786 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CCCN(C)C2)C2CC2)c1 ZINC000677129140 541824223 /nfs/dbraw/zinc/82/42/23/541824223.db2.gz HAHJVGVFGZRCLT-AEFFLSMTSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459657766 245261261 /nfs/dbraw/zinc/26/12/61/245261261.db2.gz JCGUDJKEZLYTMO-CYBMUJFWSA-N 2 0 273.380 2.629 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000677237426 541837626 /nfs/dbraw/zinc/83/76/26/541837626.db2.gz HFPFKCUQLQSMNP-IAGOWNOFSA-N 2 0 288.435 2.899 20 0 CFADRP CC[NH+]1CCC(Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000459738411 245293497 /nfs/dbraw/zinc/29/34/97/245293497.db2.gz AHKDBPBYDPQPRT-UHFFFAOYSA-N 2 0 275.440 2.953 20 0 CFADRP CCc1nc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cs1 ZINC000459743908 245298569 /nfs/dbraw/zinc/29/85/69/245298569.db2.gz XFSJRYNWXZFPQA-GFCCVEGCSA-N 2 0 267.442 2.527 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccnn2C2CCCC2)C1 ZINC000459783523 245324406 /nfs/dbraw/zinc/32/44/06/245324406.db2.gz NKBFYIXZPSZUJR-HNNXBMFYSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1N(C)C ZINC000423497797 299425909 /nfs/dbraw/zinc/42/59/09/299425909.db2.gz ZOZKOUYREUEYLQ-SCRDCRAPSA-N 2 0 279.403 2.670 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000002498194 371730102 /nfs/dbraw/zinc/73/01/02/371730102.db2.gz LACWBQUDWIOOLD-CYBMUJFWSA-N 2 0 266.404 2.934 20 0 CFADRP CCCCN(C)CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463013723 245397066 /nfs/dbraw/zinc/39/70/66/245397066.db2.gz TXPWHTHZFAJJOE-HUUCEWRRSA-N 2 0 270.461 2.900 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000011888867 371933287 /nfs/dbraw/zinc/93/32/87/371933287.db2.gz YUQKWYFSFMDXGZ-HNNXBMFYSA-N 2 0 264.388 2.690 20 0 CFADRP CCN1CCC([NH2+][C@@H](C)CCC[NH+](CC)CC)CC1 ZINC000019914756 372208755 /nfs/dbraw/zinc/20/87/55/372208755.db2.gz CSQUHWDMXHFUHX-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2cccs2)CC1 ZINC000019948546 372213647 /nfs/dbraw/zinc/21/36/47/372213647.db2.gz UCPGJROMRFGDOZ-UHFFFAOYSA-N 2 0 252.427 2.755 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCOCC1 ZINC000036304295 372571847 /nfs/dbraw/zinc/57/18/47/372571847.db2.gz LYSCCWDPLMANJY-UHFFFAOYSA-N 2 0 276.424 2.797 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000036907868 372610021 /nfs/dbraw/zinc/61/00/21/372610021.db2.gz KLLIDNHPTHHTSB-TYNCELHUSA-N 2 0 250.361 2.644 20 0 CFADRP CC1CC[NH+](CCC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000036984093 372623117 /nfs/dbraw/zinc/62/31/17/372623117.db2.gz GOFQFTHDHNHGAM-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017275 372633027 /nfs/dbraw/zinc/63/30/27/372633027.db2.gz YKSNSQNHZKYWKV-BBRMVZONSA-N 2 0 289.423 2.594 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000037644355 372680357 /nfs/dbraw/zinc/68/03/57/372680357.db2.gz MJYASJGVNYCWTQ-ODIFPOPNSA-N 2 0 258.409 2.864 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000037644585 372681318 /nfs/dbraw/zinc/68/13/18/372681318.db2.gz ASIKBVJTJOGWNF-GFCCVEGCSA-N 2 0 290.436 2.570 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649007 372684532 /nfs/dbraw/zinc/68/45/32/372684532.db2.gz PERAAGXAVNCYPO-KBPBESRZSA-N 2 0 262.397 2.675 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)OCO2 ZINC000037649135 372685317 /nfs/dbraw/zinc/68/53/17/372685317.db2.gz NBZNPBRKWDMNSU-STQMWFEESA-N 2 0 288.391 2.550 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[NH3+] ZINC000037713283 372690743 /nfs/dbraw/zinc/69/07/43/372690743.db2.gz YLVBVPHSPJFAOM-LLVKDONJSA-N 2 0 272.339 2.548 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037713805 372690778 /nfs/dbraw/zinc/69/07/78/372690778.db2.gz NYKQUWKBMFSRPN-LLVKDONJSA-N 2 0 256.802 2.815 20 0 CFADRP COc1ccc2cc([C@H](C)[NH2+]CCC[NH3+])ccc2c1 ZINC000037713424 372690890 /nfs/dbraw/zinc/69/08/90/372690890.db2.gz GHAHGIAMCNOKHT-LBPRGKRZSA-N 2 0 258.365 2.848 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000333223644 205130104 /nfs/dbraw/zinc/13/01/04/205130104.db2.gz AMPQWTRTKPJENB-YMAMQOFZSA-N 2 0 276.428 2.891 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000045663193 373026564 /nfs/dbraw/zinc/02/65/64/373026564.db2.gz OYEOYFPQCQTIAL-CQSZACIVSA-N 2 0 292.423 2.840 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(-n2ccnc2)cc1 ZINC000045663825 373026795 /nfs/dbraw/zinc/02/67/95/373026795.db2.gz ZKWNDHUXWAERAR-HNNXBMFYSA-N 2 0 286.423 2.865 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970980 373135366 /nfs/dbraw/zinc/13/53/66/373135366.db2.gz SXTWTIZLRRAKLP-UHFFFAOYSA-N 2 0 258.409 2.994 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)COC ZINC000053172520 373466687 /nfs/dbraw/zinc/46/66/87/373466687.db2.gz QMSMDPXOEJJUBA-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000054243431 373509787 /nfs/dbraw/zinc/50/97/87/373509787.db2.gz CWSWSVQPSVQHDJ-SNVBAGLBSA-N 2 0 267.442 2.752 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC000057994284 373620544 /nfs/dbraw/zinc/62/05/44/373620544.db2.gz KQPROUCDLRXOPK-LBPRGKRZSA-N 2 0 252.427 2.878 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197647 373795807 /nfs/dbraw/zinc/79/58/07/373795807.db2.gz MJOKLINYANQSQD-INIZCTEOSA-N 2 0 262.372 2.790 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)s1 ZINC000070171851 374137621 /nfs/dbraw/zinc/13/76/21/374137621.db2.gz KQUUMYFXXJNIEI-YPMHNXCESA-N 2 0 252.427 2.924 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000070171544 374138127 /nfs/dbraw/zinc/13/81/27/374138127.db2.gz DCQONHBJYZBGTI-OCCSQVGLSA-N 2 0 258.365 2.992 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000070188774 374143435 /nfs/dbraw/zinc/14/34/35/374143435.db2.gz LRMURIOMKKVIKP-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070534432 374190090 /nfs/dbraw/zinc/19/00/90/374190090.db2.gz MIQOKJQLQDSQFV-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP FC(F)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677900670 541921819 /nfs/dbraw/zinc/92/18/19/541921819.db2.gz XNSDKMZENYZTQZ-PHIMTYICSA-N 2 0 282.325 2.551 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(C)c1O ZINC000289485591 197370825 /nfs/dbraw/zinc/37/08/25/197370825.db2.gz BEHLRMNRUUIDSP-MRXNPFEDSA-N 2 0 276.424 2.925 20 0 CFADRP CC(C)[NH2+][C@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000678222802 541975870 /nfs/dbraw/zinc/97/58/70/541975870.db2.gz HPLKXMLWOLQYCE-HNNXBMFYSA-N 2 0 272.396 2.525 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000089140591 374873169 /nfs/dbraw/zinc/87/31/69/374873169.db2.gz WQAGBIHXNLRICK-ZBFHGGJFSA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089147857 374875589 /nfs/dbraw/zinc/87/55/89/374875589.db2.gz ZHYOVVOGTIFESD-YPMHNXCESA-N 2 0 270.323 2.505 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000089425874 374903440 /nfs/dbraw/zinc/90/34/40/374903440.db2.gz NQGMPJNFTABQCK-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cnn(C)c1 ZINC000090586576 375021784 /nfs/dbraw/zinc/02/17/84/375021784.db2.gz RJGBWWKXRCFKMK-NVXWUHKLSA-N 2 0 292.471 2.829 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)Cc2cccc3c[nH]nc32)CC1 ZINC000092165509 375094597 /nfs/dbraw/zinc/09/45/97/375094597.db2.gz WDAZDYKMMWBEON-UHFFFAOYSA-N 2 0 286.423 2.869 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092381368 375106149 /nfs/dbraw/zinc/10/61/49/375106149.db2.gz ZQHVNWHLOROLPT-UHFFFAOYSA-N 2 0 292.471 2.802 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000093452903 375243337 /nfs/dbraw/zinc/24/33/37/375243337.db2.gz XLXOKGGUGJUJRS-VBNZEHGJSA-N 2 0 280.362 2.975 20 0 CFADRP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1CC[NH+](C)CC1 ZINC000093089397 375186067 /nfs/dbraw/zinc/18/60/67/375186067.db2.gz FHTUOYSKABRVSK-UHFFFAOYSA-N 2 0 298.434 2.850 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000571581924 383707081 /nfs/dbraw/zinc/70/70/81/383707081.db2.gz VLULZDLWNJGEMA-CABCVRRESA-N 2 0 262.397 2.542 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000093491226 375253772 /nfs/dbraw/zinc/25/37/72/375253772.db2.gz XKYDACOGXVRODD-FGTMMUONSA-N 2 0 288.435 2.966 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491008 375254584 /nfs/dbraw/zinc/25/45/84/375254584.db2.gz JZNUGOIDHZGEJN-FGTMMUONSA-N 2 0 293.499 2.763 20 0 CFADRP CCOc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861149 375322995 /nfs/dbraw/zinc/32/29/95/375322995.db2.gz XSXPBFXUFUNUOP-UHFFFAOYSA-N 2 0 250.386 2.502 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccco1 ZINC000093514817 375262288 /nfs/dbraw/zinc/26/22/88/375262288.db2.gz NIQMBGZQBPKJEN-ZIAGYGMSSA-N 2 0 250.386 2.723 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000094950116 375397081 /nfs/dbraw/zinc/39/70/81/375397081.db2.gz MFQIGTVQTFORKW-JJRVBVJISA-N 2 0 278.415 2.995 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C ZINC000094341406 375353831 /nfs/dbraw/zinc/35/38/31/375353831.db2.gz RLMKPNVQOHVIMY-WBVHZDCISA-N 2 0 276.424 2.741 20 0 CFADRP CCC[C@@H](C(=O)OCC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000502725819 247115153 /nfs/dbraw/zinc/11/51/53/247115153.db2.gz USCPKFGAMDMBJB-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000678430203 542025591 /nfs/dbraw/zinc/02/55/91/542025591.db2.gz ZYQIXHQGQPEAGJ-HOCLYGCPSA-N 2 0 293.455 2.706 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000678430201 542025624 /nfs/dbraw/zinc/02/56/24/542025624.db2.gz ZYQIXHQGQPEAGJ-GDBMZVCRSA-N 2 0 293.455 2.706 20 0 CFADRP C[C@@H]([NH2+]CCc1cccc(F)c1F)C1CC[NH+](C)CC1 ZINC000678585957 542045043 /nfs/dbraw/zinc/04/50/43/542045043.db2.gz REBCKYYTYAZIPM-GFCCVEGCSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)C1CC[NH+](C)CC1 ZINC000678609589 542054358 /nfs/dbraw/zinc/05/43/58/542054358.db2.gz ZNTDLTMBHYCATG-CXAGYDPISA-N 2 0 273.424 2.853 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000678600329 542050452 /nfs/dbraw/zinc/05/04/52/542050452.db2.gz KRJWVVYNOCUYQM-HZPDHXFCSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000111695845 375863328 /nfs/dbraw/zinc/86/33/28/375863328.db2.gz BCIFAGVYPMOUMN-CJNGLKHVSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000111695927 375863407 /nfs/dbraw/zinc/86/34/07/375863407.db2.gz CLIXXDATDDVJSM-UKRRQHHQSA-N 2 0 269.392 2.794 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ncccc2Cl)CC1 ZINC000678772157 542067074 /nfs/dbraw/zinc/06/70/74/542067074.db2.gz HETVYQDEMIZQAP-UHFFFAOYSA-N 2 0 297.830 2.578 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)Oc2ccccc2)CC1 ZINC000678773202 542067718 /nfs/dbraw/zinc/06/77/18/542067718.db2.gz LSNRDZCMPWDKFZ-OAHLLOKOSA-N 2 0 276.424 2.918 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000113512555 376020239 /nfs/dbraw/zinc/02/02/39/376020239.db2.gz LLZPPOFGIYPCPK-MRXNPFEDSA-N 2 0 260.425 2.995 20 0 CFADRP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842494 376319800 /nfs/dbraw/zinc/31/98/00/376319800.db2.gz YSRBEFHHFAAISD-QGZVFWFLSA-N 2 0 298.434 2.646 20 0 CFADRP Cc1cc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)ccn1 ZINC000119433265 376414835 /nfs/dbraw/zinc/41/48/35/376414835.db2.gz CEYKHHXFQJRIED-UHFFFAOYSA-N 2 0 298.390 2.773 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000119137508 376360933 /nfs/dbraw/zinc/36/09/33/376360933.db2.gz KBRGBCWIROOHMI-QZTJIDSGSA-N 2 0 288.435 2.666 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000119206226 376372797 /nfs/dbraw/zinc/37/27/97/376372797.db2.gz NOJRAUOUDIDCIK-BZUAXINKSA-N 2 0 286.419 2.769 20 0 CFADRP Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)ccn1 ZINC000119263666 376381805 /nfs/dbraw/zinc/38/18/05/376381805.db2.gz ONAAFBOCAHANRV-ZDUSSCGKSA-N 2 0 290.411 2.634 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119677159 376450333 /nfs/dbraw/zinc/45/03/33/376450333.db2.gz IJTSJANYIUTFSG-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP COCCCCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000119774794 376470849 /nfs/dbraw/zinc/47/08/49/376470849.db2.gz OTMVAQRDBXWJMD-UHFFFAOYSA-N 2 0 273.380 2.779 20 0 CFADRP COc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000264177398 190094171 /nfs/dbraw/zinc/09/41/71/190094171.db2.gz XPJFHJXHULRSPQ-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2C)[C@H](C)C1 ZINC000120400555 376608405 /nfs/dbraw/zinc/60/84/05/376608405.db2.gz OAAIYIVVVYYKNA-UKRRQHHQSA-N 2 0 290.411 2.584 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000120924923 376723687 /nfs/dbraw/zinc/72/36/87/376723687.db2.gz QCYXVWQMSDAJKU-AWEZNQCLSA-N 2 0 264.413 2.561 20 0 CFADRP C[C@@H]1C[C@H](NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000120762299 376688114 /nfs/dbraw/zinc/68/81/14/376688114.db2.gz MMRPEJJBTLCKKP-HZPDHXFCSA-N 2 0 281.488 2.713 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000120850688 376707652 /nfs/dbraw/zinc/70/76/52/376707652.db2.gz AFYVBKRQHAXQFT-FUHWJXTLSA-N 2 0 289.467 2.611 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)(C)O ZINC000679014909 542109596 /nfs/dbraw/zinc/10/95/96/542109596.db2.gz BZUJSXFGUMKHSL-IIAWOOMASA-N 2 0 282.472 2.779 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCN2CCc3ccccc32)CC[N@@H+]1C ZINC000121486197 376844323 /nfs/dbraw/zinc/84/43/23/376844323.db2.gz KBBKCDACNIMPSU-DOTOQJQBSA-N 2 0 287.451 2.512 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000121667664 376879092 /nfs/dbraw/zinc/87/90/92/376879092.db2.gz HXQHPRWWJZJGFY-DZGCQCFKSA-N 2 0 280.387 2.667 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000121681532 376884342 /nfs/dbraw/zinc/88/43/42/376884342.db2.gz NKVWRUYNEVIQDI-CKEIUWERSA-N 2 0 294.414 2.913 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000121838292 376916822 /nfs/dbraw/zinc/91/68/22/376916822.db2.gz NWVUNAPKQOCZCU-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCOc1ccccc1 ZINC000123652592 376964799 /nfs/dbraw/zinc/96/47/99/376964799.db2.gz SQKHDOXOQSQVDB-MRXNPFEDSA-N 2 0 264.413 2.761 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](COC)C2CC2)c1 ZINC000124013476 377007627 /nfs/dbraw/zinc/00/76/27/377007627.db2.gz BNZQGIWLYYKOMF-KRWDZBQOSA-N 2 0 276.424 2.653 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCF)C2)CC1 ZINC000125138523 377121805 /nfs/dbraw/zinc/12/18/05/377121805.db2.gz VBFCZJUKZVEGDI-HNNXBMFYSA-N 2 0 256.409 2.790 20 0 CFADRP C[NH2+]CCCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000124780092 377088318 /nfs/dbraw/zinc/08/83/18/377088318.db2.gz ZJBAKRUWFRXWEP-UHFFFAOYSA-N 2 0 260.303 2.747 20 0 CFADRP C[N@H+](CCCOc1ccccc1)CC[C@H]1CCC[NH+]1C ZINC000124911843 377101704 /nfs/dbraw/zinc/10/17/04/377101704.db2.gz RSXLVAAYZGCSSP-MRXNPFEDSA-N 2 0 276.424 2.872 20 0 CFADRP CC[C@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000125739038 377189888 /nfs/dbraw/zinc/18/98/88/377189888.db2.gz HHXAXQWLIVEQAY-HOCLYGCPSA-N 2 0 278.444 2.581 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125400635 377151619 /nfs/dbraw/zinc/15/16/19/377151619.db2.gz MBXFKEIUVKRGIM-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000125652725 377180228 /nfs/dbraw/zinc/18/02/28/377180228.db2.gz JDSUZIULDAGSSJ-OAGGEKHMSA-N 2 0 276.424 2.835 20 0 CFADRP CC[C@@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000125739752 377189302 /nfs/dbraw/zinc/18/93/02/377189302.db2.gz HHXAXQWLIVEQAY-GDBMZVCRSA-N 2 0 278.444 2.581 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000126100338 377210969 /nfs/dbraw/zinc/21/09/69/377210969.db2.gz KCQDYSISOISZPX-GVDBMIGSSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Oc1ccc(F)cc1 ZINC000128037762 377311929 /nfs/dbraw/zinc/31/19/29/377311929.db2.gz SKGFSOYVCMCVLC-IOASZLSFSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H]1C[C@H](NCc2ccn(C3CCCC3)n2)CC[N@@H+]1C ZINC000128132796 377319057 /nfs/dbraw/zinc/31/90/57/377319057.db2.gz SJEDRWCFXDMOSX-ZIAGYGMSSA-N 2 0 276.428 2.571 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127781940 377302080 /nfs/dbraw/zinc/30/20/80/377302080.db2.gz YCVCGBWNFWODAY-LRDDRELGSA-N 2 0 289.398 2.779 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCC[NH+]1CCCC1)CC2 ZINC000129456623 377429829 /nfs/dbraw/zinc/42/98/29/377429829.db2.gz ZPCFMFQDCAIJSG-QGZVFWFLSA-N 2 0 288.435 2.628 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000679392077 542186450 /nfs/dbraw/zinc/18/64/50/542186450.db2.gz FMHZUONKDAJRJU-UHFFFAOYSA-N 2 0 276.424 2.946 20 0 CFADRP C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[N@H+](C)C1CC1 ZINC000130722813 377600074 /nfs/dbraw/zinc/60/00/74/377600074.db2.gz MPPGGEWSLGMCIO-HNNXBMFYSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CSC1 ZINC000679626958 542215563 /nfs/dbraw/zinc/21/55/63/542215563.db2.gz CCYXAKOWTIBVLJ-KBPBESRZSA-N 2 0 290.476 2.848 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000131243131 377682725 /nfs/dbraw/zinc/68/27/25/377682725.db2.gz PKGBSQBJZFLSRO-ZFWWWQNUSA-N 2 0 259.397 2.829 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132144323 377806131 /nfs/dbraw/zinc/80/61/31/377806131.db2.gz KGYYHSCBYXAXAB-UHFFFAOYSA-N 2 0 289.467 2.833 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000132439466 377839995 /nfs/dbraw/zinc/83/99/95/377839995.db2.gz QUGYHYNMEYCTRD-DLBZAZTESA-N 2 0 289.467 2.975 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000132413364 377837873 /nfs/dbraw/zinc/83/78/73/377837873.db2.gz HCJCTYQJBPTZPR-GXTWGEPZSA-N 2 0 271.364 2.511 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132917816 377887655 /nfs/dbraw/zinc/88/76/55/377887655.db2.gz JSNNRPUWLWEHBM-CVEARBPZSA-N 2 0 276.424 2.836 20 0 CFADRP COc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000133422452 377928396 /nfs/dbraw/zinc/92/83/96/377928396.db2.gz RHOPYCUYULBANK-OAHLLOKOSA-N 2 0 250.386 2.500 20 0 CFADRP COc1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000133422677 377928425 /nfs/dbraw/zinc/92/84/25/377928425.db2.gz RHOPYCUYULBANK-HNNXBMFYSA-N 2 0 250.386 2.500 20 0 CFADRP CSC(C)(C)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000134028846 377976802 /nfs/dbraw/zinc/97/68/02/377976802.db2.gz FHMMQNRHBSFBLT-UHFFFAOYSA-N 2 0 279.453 2.782 20 0 CFADRP COC[C@H](C)[NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136600473 378204870 /nfs/dbraw/zinc/20/48/70/378204870.db2.gz WGIJPDYIYIQBQQ-YQQAZPJKSA-N 2 0 276.424 2.522 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000149571208 378265452 /nfs/dbraw/zinc/26/54/52/378265452.db2.gz VEXKQCRUVZUWLK-PXAZEXFGSA-N 2 0 274.383 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@H](C)C1 ZINC000151131573 378299579 /nfs/dbraw/zinc/29/95/79/378299579.db2.gz RJMUBHZAJSDCBJ-NXHRZFHOSA-N 2 0 293.499 2.571 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152448961 378416763 /nfs/dbraw/zinc/41/67/63/378416763.db2.gz RJMGKEROUZBASS-WMLDXEAASA-N 2 0 286.419 2.974 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000152952658 378462073 /nfs/dbraw/zinc/46/20/73/378462073.db2.gz WIVMOUBZIZKYMW-DOTOQJQBSA-N 2 0 276.424 2.694 20 0 CFADRP CN(C/C=C/c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152466650 378418094 /nfs/dbraw/zinc/41/80/94/378418094.db2.gz DWIVKXBISWJTMB-DKISHCGFSA-N 2 0 258.409 2.973 20 0 CFADRP C[NH+](C)C(C)(C)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000152588424 378430532 /nfs/dbraw/zinc/43/05/32/378430532.db2.gz NURMQGIQAYTQHG-UHFFFAOYSA-N 2 0 281.488 2.713 20 0 CFADRP O=C1CC[C@H]([NH2+][C@H]2CCc3nc[nH]c3C2)c2ccccc2N1 ZINC000329771239 378495056 /nfs/dbraw/zinc/49/50/56/378495056.db2.gz GRFYYZOOCWWNDI-FZMZJTMJSA-N 2 0 296.374 2.980 20 0 CFADRP CC[C@@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000154593433 378583441 /nfs/dbraw/zinc/58/34/41/378583441.db2.gz QOCFLEYOVPMAET-BHYGNILZSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCN2C)cc1 ZINC000154512779 378574696 /nfs/dbraw/zinc/57/46/96/378574696.db2.gz NNAMUUUGRKSVKO-NVXWUHKLSA-N 2 0 260.425 3.000 20 0 CFADRP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154947609 378605211 /nfs/dbraw/zinc/60/52/11/378605211.db2.gz MRRSSHCFEHRXPV-IAGOWNOFSA-N 2 0 289.467 2.590 20 0 CFADRP COC[C@@H](C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000155407404 378624734 /nfs/dbraw/zinc/62/47/34/378624734.db2.gz ZMDROMVDXCEUIF-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COCCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158845912 378673867 /nfs/dbraw/zinc/67/38/67/378673867.db2.gz BFBUQYJLRDEUOV-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC000529566117 383731069 /nfs/dbraw/zinc/73/10/69/383731069.db2.gz AGMMYDLLXVGADL-AWEZNQCLSA-N 2 0 293.842 2.899 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000278505517 194016349 /nfs/dbraw/zinc/01/63/49/194016349.db2.gz ORDSERYIAUDKRV-UHFFFAOYSA-N 2 0 258.409 2.959 20 0 CFADRP C[N@@H+](CCc1cccs1)CC[C@H]1CCC[NH+]1C ZINC000162068599 378892952 /nfs/dbraw/zinc/89/29/52/378892952.db2.gz UKUASFRPBSFWAL-CYBMUJFWSA-N 2 0 252.427 2.707 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162724032 378927873 /nfs/dbraw/zinc/92/78/73/378927873.db2.gz CLEVRXJWBLOVGT-BFYDXBDKSA-N 2 0 287.451 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@H](C)C1 ZINC000162956962 378946464 /nfs/dbraw/zinc/94/64/64/378946464.db2.gz DVMMDWYSVCVXCI-CJNGLKHVSA-N 2 0 264.388 2.688 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000163407445 378969351 /nfs/dbraw/zinc/96/93/51/378969351.db2.gz CRJZLHDGEQNRDP-FUHWJXTLSA-N 2 0 288.435 2.683 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000163417131 378970850 /nfs/dbraw/zinc/97/08/50/378970850.db2.gz UKXQVMHKPRGBSX-IINYFYTJSA-N 2 0 252.427 2.782 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000163425830 378971251 /nfs/dbraw/zinc/97/12/51/378971251.db2.gz XJFFYPZWZXVWFM-UKPHBRMFSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000163426880 378971501 /nfs/dbraw/zinc/97/15/01/378971501.db2.gz AWMBXMMZRCWZKS-OCCSQVGLSA-N 2 0 258.365 2.850 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)CCC1 ZINC000421370077 284732157 /nfs/dbraw/zinc/73/21/57/284732157.db2.gz IQWACJGTYZJZGT-WLYUNCDWSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(F)cc1F)CC[NH2+]CC2 ZINC000335279540 379017303 /nfs/dbraw/zinc/01/73/03/379017303.db2.gz QYNJZYSOXKQGLY-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000165956196 379045749 /nfs/dbraw/zinc/04/57/49/379045749.db2.gz XNIOIKBRWSLRAW-DOTOQJQBSA-N 2 0 276.424 2.696 20 0 CFADRP Cc1ccc2nc(CN3CCC4(CCC[N@H+]4C)CC3)cn2c1 ZINC000335306888 379051718 /nfs/dbraw/zinc/05/17/18/379051718.db2.gz UKCCTNCLKHZGAA-UHFFFAOYSA-N 2 0 298.434 2.703 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC[C@H](O)c3ccccc3)CC[C@@H]21 ZINC000166830314 379062794 /nfs/dbraw/zinc/06/27/94/379062794.db2.gz IRJSMVSQNOCZON-BZSNNMDCSA-N 2 0 288.435 2.526 20 0 CFADRP Cc1cc(CN2CCC3(CC[NH2+]3)CC2)cc2cccnc12 ZINC000335410576 379240947 /nfs/dbraw/zinc/24/09/47/379240947.db2.gz BDHINYTUUBRPTB-UHFFFAOYSA-N 2 0 281.403 2.871 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000278895561 194201005 /nfs/dbraw/zinc/20/10/05/194201005.db2.gz QKOZQBYXZRRAHA-MRXNPFEDSA-N 2 0 278.440 2.738 20 0 CFADRP CC(C)OCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562864 412911611 /nfs/dbraw/zinc/91/16/11/412911611.db2.gz KMEAIRVJAJSEMM-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP c1ccc2ncc(CN3CCC[C@@]4(CC[NH2+]C4)C3)cc2c1 ZINC000334503093 379406214 /nfs/dbraw/zinc/40/62/14/379406214.db2.gz HGTKKIYBJSRTHD-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000335595279 379580758 /nfs/dbraw/zinc/58/07/58/379580758.db2.gz ADSLVUMZOWQWSX-NSHDSACASA-N 2 0 297.240 2.633 20 0 CFADRP c1ccc2ncc(CN3CCC4(CC[NH2+]4)CC3)cc2c1 ZINC000334588027 379581537 /nfs/dbraw/zinc/58/15/37/379581537.db2.gz QMFUKXJJKFBYDK-UHFFFAOYSA-N 2 0 267.376 2.563 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000334590905 379587499 /nfs/dbraw/zinc/58/74/99/379587499.db2.gz GPCITROMFMKKOR-UHFFFAOYSA-N 2 0 296.418 2.652 20 0 CFADRP Cc1nc(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000172787391 379646029 /nfs/dbraw/zinc/64/60/29/379646029.db2.gz NEPJQZDQSPVZPJ-UHFFFAOYSA-N 2 0 267.442 2.534 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335616088 379608632 /nfs/dbraw/zinc/60/86/32/379608632.db2.gz UGSGVVFEPSOJLN-IKWCTNDRSA-N 2 0 260.372 2.788 20 0 CFADRP Cc1cccc2nc(CN3CC[C@H](C[NH+]4CCCC4)C3)cn21 ZINC000172644332 379612778 /nfs/dbraw/zinc/61/27/78/379612778.db2.gz WCQXQCSUQPJWIO-MRXNPFEDSA-N 2 0 298.434 2.560 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCCCC2)C[C@H](C)O1 ZINC000174315982 379863056 /nfs/dbraw/zinc/86/30/56/379863056.db2.gz QITDOEBPEOJEDF-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000335800821 379911702 /nfs/dbraw/zinc/91/17/02/379911702.db2.gz LJQFXQDNWRTEBF-CQSZACIVSA-N 2 0 283.419 2.567 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH3+] ZINC000335786305 379886874 /nfs/dbraw/zinc/88/68/74/379886874.db2.gz JUIIMHNFRYRWSJ-WMLDXEAASA-N 2 0 281.403 2.918 20 0 CFADRP Fc1cnccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000334762487 379902899 /nfs/dbraw/zinc/90/28/99/379902899.db2.gz VLBWZIOTKTYMKF-OAHLLOKOSA-N 2 0 277.387 2.671 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000335841764 379977571 /nfs/dbraw/zinc/97/75/71/379977571.db2.gz HLXUZKYVZBNSJJ-WDEREUQCSA-N 2 0 262.328 2.741 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717892 379930684 /nfs/dbraw/zinc/93/06/84/379930684.db2.gz OFPCKVLXNVUQMK-GOSISDBHSA-N 2 0 289.467 2.707 20 0 CFADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000334975536 379950812 /nfs/dbraw/zinc/95/08/12/379950812.db2.gz RYJOCMUQOKJZMK-ZDUSSCGKSA-N 2 0 259.328 2.549 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335011015 379955789 /nfs/dbraw/zinc/95/57/89/379955789.db2.gz DYGJOEXUQKAIFJ-DOTOQJQBSA-N 2 0 273.424 2.794 20 0 CFADRP CCC1([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335009753 379956389 /nfs/dbraw/zinc/95/63/89/379956389.db2.gz HXVSFJZJPNWKNU-WMLDXEAASA-N 2 0 272.392 2.775 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000422634175 297367268 /nfs/dbraw/zinc/36/72/68/297367268.db2.gz JJNIVOMHNSVLOB-IJEWVQPXSA-N 2 0 275.440 2.558 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C)CC1 ZINC000335847387 379987983 /nfs/dbraw/zinc/98/79/83/379987983.db2.gz IROQRLFNAIGZGA-UHFFFAOYSA-N 2 0 270.380 2.808 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCC1 ZINC000335180759 379990850 /nfs/dbraw/zinc/99/08/50/379990850.db2.gz UAFWOUSUTJKZSZ-ZIAGYGMSSA-N 2 0 268.470 2.688 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000335236275 380058648 /nfs/dbraw/zinc/05/86/48/380058648.db2.gz DROYRPXVIMKXAA-HUUCEWRRSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335227624 380042777 /nfs/dbraw/zinc/04/27/77/380042777.db2.gz PFDQUPJJBLFYKA-ONGXEEELSA-N 2 0 258.818 2.879 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645776925 383742624 /nfs/dbraw/zinc/74/26/24/383742624.db2.gz AAGYODLTCQLNPJ-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1Cl ZINC000335262282 380100946 /nfs/dbraw/zinc/10/09/46/380100946.db2.gz SYPQINMYZSQRGH-YPMHNXCESA-N 2 0 252.789 2.879 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1Cl ZINC000335262280 380101417 /nfs/dbraw/zinc/10/14/17/380101417.db2.gz SYPQINMYZSQRGH-DGCLKSJQSA-N 2 0 252.789 2.879 20 0 CFADRP CCCC(CCC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000177303168 380327561 /nfs/dbraw/zinc/32/75/61/380327561.db2.gz XBRVDRVRUZTLBZ-UHFFFAOYSA-N 2 0 269.477 2.572 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)C1 ZINC000336214340 380289925 /nfs/dbraw/zinc/28/99/25/380289925.db2.gz IANWDWOPQATWPY-OAHLLOKOSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000336506015 380379494 /nfs/dbraw/zinc/37/94/94/380379494.db2.gz LTMNWFQYMCAXOH-CYBMUJFWSA-N 2 0 262.372 2.962 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc4c[nH]nc43)C2)CC1 ZINC000336489781 380355545 /nfs/dbraw/zinc/35/55/45/380355545.db2.gz AHWXBMUQHDNOLP-INIZCTEOSA-N 2 0 298.434 2.727 20 0 CFADRP Cc1nccn1C[C@H]1CCC[N@H+]1CC1(O)CCC(C)CC1 ZINC000178318497 380436657 /nfs/dbraw/zinc/43/66/57/380436657.db2.gz FTYYGNWZZKCUKT-ARWYELJZSA-N 2 0 291.439 2.597 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000178371321 380443684 /nfs/dbraw/zinc/44/36/84/380443684.db2.gz HDDZBLQVJULILJ-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C(C2CC2)C2CC2)C[C@H](C)O1 ZINC000178034936 380403898 /nfs/dbraw/zinc/40/38/98/380403898.db2.gz KGYJOGHTYWBZOH-OKILXGFUSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178972023 380496782 /nfs/dbraw/zinc/49/67/82/380496782.db2.gz VCXJPRLHICGMGJ-INIZCTEOSA-N 2 0 274.408 2.832 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178981559 380498979 /nfs/dbraw/zinc/49/89/79/380498979.db2.gz VWEZGKJYWAFYBP-SFHVURJKSA-N 2 0 287.451 2.889 20 0 CFADRP C1CC1[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000178741148 380482836 /nfs/dbraw/zinc/48/28/36/380482836.db2.gz GJAUXDTVSPSZQW-MRXNPFEDSA-N 2 0 291.483 2.610 20 0 CFADRP COC1CC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336657334 380584052 /nfs/dbraw/zinc/58/40/52/380584052.db2.gz QFFKIEFNKSQSKR-DVHLICQRSA-N 2 0 288.435 2.664 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000268881336 190446552 /nfs/dbraw/zinc/44/65/52/190446552.db2.gz FKLYTGLAUJOOAI-KRWDZBQOSA-N 2 0 260.425 2.939 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCC(C)(C)CC1 ZINC000336786682 380633129 /nfs/dbraw/zinc/63/31/29/380633129.db2.gz CMPDLBHKVFPMJX-AWEZNQCLSA-N 2 0 256.434 2.546 20 0 CFADRP CCCCOC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336798743 380648118 /nfs/dbraw/zinc/64/81/18/380648118.db2.gz GEOAGVTUZYYDPT-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000336788233 380633749 /nfs/dbraw/zinc/63/37/49/380633749.db2.gz GPUYOIYINIMCOO-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP c1coc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180274726 380642294 /nfs/dbraw/zinc/64/22/94/380642294.db2.gz NPOUBZJPMGXJBU-UHFFFAOYSA-N 2 0 271.364 2.681 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000336794668 380642668 /nfs/dbraw/zinc/64/26/68/380642668.db2.gz DSCZGPQBNHJSDC-VHSXEESVSA-N 2 0 260.303 2.951 20 0 CFADRP C[C@H](O)CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336659440 380586396 /nfs/dbraw/zinc/58/63/96/380586396.db2.gz XSJFSNXYVSXWQP-FUHWJXTLSA-N 2 0 290.451 2.601 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSC(C)C)[C@H](C)C1 ZINC000336686606 380592986 /nfs/dbraw/zinc/59/29/86/380592986.db2.gz DZXSYKJLRXTZEX-ZIAGYGMSSA-N 2 0 258.475 2.790 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCOC(C)(C)C)CC1 ZINC000336691798 380593851 /nfs/dbraw/zinc/59/38/51/380593851.db2.gz BILNIHWIALXLRV-UHFFFAOYSA-N 2 0 256.434 2.606 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOCc3ccccc3)C[C@@H]21 ZINC000336719524 380609719 /nfs/dbraw/zinc/60/97/19/380609719.db2.gz SOMFCSOEWSKZND-OKZBNKHCSA-N 2 0 288.435 2.653 20 0 CFADRP C[C@H]1CC[N@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000336720308 380611567 /nfs/dbraw/zinc/61/15/67/380611567.db2.gz SWJGZSUWBSOZDX-RDJZCZTQSA-N 2 0 276.424 2.510 20 0 CFADRP Cc1cc(Br)ccc1C[N@H+](C)CCC[NH3+] ZINC000336743630 380622679 /nfs/dbraw/zinc/62/26/79/380622679.db2.gz PIAYRFLYGGITKL-UHFFFAOYSA-N 2 0 271.202 2.538 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000336818018 380680661 /nfs/dbraw/zinc/68/06/61/380680661.db2.gz SVOFPMUJMHIFQO-NWDGAFQWSA-N 2 0 264.369 2.583 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1OC(F)F ZINC000336818528 380682666 /nfs/dbraw/zinc/68/26/66/380682666.db2.gz VXSBMXPQHPGQTP-NSHDSACASA-N 2 0 272.339 2.895 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336819262 380683348 /nfs/dbraw/zinc/68/33/48/380683348.db2.gz ZBUGZHHJICSOGX-UONOGXRCSA-N 2 0 264.413 2.733 20 0 CFADRP c1coc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180798406 380701161 /nfs/dbraw/zinc/70/11/61/380701161.db2.gz BMPFYUKMCIXJPB-UHFFFAOYSA-N 2 0 292.423 2.604 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000180839573 380704690 /nfs/dbraw/zinc/70/46/90/380704690.db2.gz JULOURIXFWJSSI-CHWSQXEVSA-N 2 0 293.480 2.637 20 0 CFADRP Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)s1 ZINC000336801815 380654908 /nfs/dbraw/zinc/65/49/08/380654908.db2.gz RKGCKPHZHLJYJV-UHFFFAOYSA-N 2 0 281.469 2.924 20 0 CFADRP CC[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181137276 380746540 /nfs/dbraw/zinc/74/65/40/380746540.db2.gz OOGYCKGFTRGEOD-HRCADAONSA-N 2 0 282.472 2.996 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000346998562 380863928 /nfs/dbraw/zinc/86/39/28/380863928.db2.gz DDHGGGIGSXUJLI-HNNXBMFYSA-N 2 0 276.424 2.743 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000347013445 380879915 /nfs/dbraw/zinc/87/99/15/380879915.db2.gz WNIQYVRUAOIRGX-DOTOQJQBSA-N 2 0 290.451 2.805 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000347001244 380865336 /nfs/dbraw/zinc/86/53/36/380865336.db2.gz GULKSIMLSPBWRF-MRXNPFEDSA-N 2 0 281.403 2.790 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1 ZINC000401012261 380867235 /nfs/dbraw/zinc/86/72/35/380867235.db2.gz MYMYZDJMYFFNGI-YYWXWVFPSA-N 2 0 262.372 2.864 20 0 CFADRP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347003459 380867625 /nfs/dbraw/zinc/86/76/25/380867625.db2.gz LLNZYNXLQGDESN-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[C@@H]1CCOC1 ZINC000402101247 380880500 /nfs/dbraw/zinc/88/05/00/380880500.db2.gz PFTXNSKQAZRRLF-YYIAUSFCSA-N 2 0 280.456 2.704 20 0 CFADRP C(CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000347004410 380872216 /nfs/dbraw/zinc/87/22/16/380872216.db2.gz NRIAZJBIGXRBLD-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000347012403 380877101 /nfs/dbraw/zinc/87/71/01/380877101.db2.gz HODXRWWQICHCKE-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(C)n2)[C@H](C)C1 ZINC000287412645 380826321 /nfs/dbraw/zinc/82/63/21/380826321.db2.gz JQQHTHZUPRQQBJ-RHSMWYFYSA-N 2 0 275.440 2.643 20 0 CFADRP COc1ccc(F)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000295401151 380831541 /nfs/dbraw/zinc/83/15/41/380831541.db2.gz QSGZDXBBUSKTKL-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346974197 380836031 /nfs/dbraw/zinc/83/60/31/380836031.db2.gz IQWQQEDOVJNJDQ-BFYDXBDKSA-N 2 0 258.409 2.864 20 0 CFADRP CCN(CC)c1ncc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000347014473 380878757 /nfs/dbraw/zinc/87/87/57/380878757.db2.gz IXNIKWDIYVRVCS-GFCCVEGCSA-N 2 0 296.484 2.549 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346986027 380850002 /nfs/dbraw/zinc/85/00/02/380850002.db2.gz RMPFYJYZGIROFT-BFYDXBDKSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000367903173 380852630 /nfs/dbraw/zinc/85/26/30/380852630.db2.gz MRXBYYWBNRUYLH-CRAIPNDOSA-N 2 0 292.467 2.966 20 0 CFADRP CC(C)([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000346991149 380854583 /nfs/dbraw/zinc/85/45/83/380854583.db2.gz SZUJNEXWQMEFKI-LLVKDONJSA-N 2 0 268.351 2.789 20 0 CFADRP CC(C)[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367939157 380858853 /nfs/dbraw/zinc/85/88/53/380858853.db2.gz ZWCCANYGNUGDQO-VJFUWPCTSA-N 2 0 296.499 2.978 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000347035965 380895780 /nfs/dbraw/zinc/89/57/80/380895780.db2.gz DTYMEFFFJYPXPR-GDBMZVCRSA-N 2 0 298.434 2.944 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512950 380896516 /nfs/dbraw/zinc/89/65/16/380896516.db2.gz UTPFUNVAKBAZFP-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000347035966 380896601 /nfs/dbraw/zinc/89/66/01/380896601.db2.gz DTYMEFFFJYPXPR-GOEBONIOSA-N 2 0 298.434 2.944 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000347047987 380904071 /nfs/dbraw/zinc/90/40/71/380904071.db2.gz PHISUTZKFYHNNY-CQSZACIVSA-N 2 0 284.407 2.556 20 0 CFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000347049813 380905419 /nfs/dbraw/zinc/90/54/19/380905419.db2.gz JCVIVVCCYZOQNM-HNNXBMFYSA-N 2 0 298.471 2.630 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000405091301 380909972 /nfs/dbraw/zinc/90/99/72/380909972.db2.gz QAMQBBFWDUGLQB-JKSUJKDBSA-N 2 0 275.440 2.833 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(Cc2cnc3ccc(C)cn23)C[C@H]1C ZINC000353876882 380921109 /nfs/dbraw/zinc/92/11/09/380921109.db2.gz NZWARKSPKMIYGF-HUUCEWRRSA-N 2 0 286.423 2.557 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000347151484 380972143 /nfs/dbraw/zinc/97/21/43/380972143.db2.gz BCXZVCNYUZOGBU-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP C[NH+](C)[C@H]1CCOc2c(NC3CC[NH+](C)CC3)cccc21 ZINC000341378531 380978046 /nfs/dbraw/zinc/97/80/46/380978046.db2.gz NZFFMKHAGXWZLB-INIZCTEOSA-N 2 0 289.423 2.578 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H]2CCC[C@@H]21 ZINC000353948468 380978951 /nfs/dbraw/zinc/97/89/51/380978951.db2.gz UZEQHPHADKIPDN-IKGGRYGDSA-N 2 0 299.462 2.966 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000368283626 380981609 /nfs/dbraw/zinc/98/16/09/380981609.db2.gz YFPCESOBMMAIQZ-PRICJXRYSA-N 2 0 286.419 2.766 20 0 CFADRP CCC1(C[NH+]2CCC([NH2+]CC3CC3)CC2)CCOCC1 ZINC000347096194 380934611 /nfs/dbraw/zinc/93/46/11/380934611.db2.gz IZTKMJOGZGHYAE-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP CCOc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1OC ZINC000347098866 380937804 /nfs/dbraw/zinc/93/78/04/380937804.db2.gz IWLHSCASBMXOFW-ZDUSSCGKSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000347114185 380946907 /nfs/dbraw/zinc/94/69/07/380946907.db2.gz SNKBEVAABRTRFI-FZMZJTMJSA-N 2 0 295.452 2.554 20 0 CFADRP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347217580 381009410 /nfs/dbraw/zinc/00/94/10/381009410.db2.gz HCCZIZADHSFNQS-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000347221249 381012136 /nfs/dbraw/zinc/01/21/36/381012136.db2.gz UDVBMIKQUYRPRQ-CQSZACIVSA-N 2 0 279.453 2.670 20 0 CFADRP C[C@@H]([NH2+]CCC1(O)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518914 381032038 /nfs/dbraw/zinc/03/20/38/381032038.db2.gz QPJRZMLIESYMNJ-CABCVRRESA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CCCC12CCN(CCCC1CCOCC1)CC2 ZINC000368450458 381029602 /nfs/dbraw/zinc/02/96/02/381029602.db2.gz QZVMSBHNRZDYGL-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000341405538 380997638 /nfs/dbraw/zinc/99/76/38/380997638.db2.gz OTYMCZYOFDUROF-UHFFFAOYSA-N 2 0 292.471 2.984 20 0 CFADRP C[NH2+]C[C@H]1CCCN(Cc2ccc(OC)cc2Cl)C1 ZINC000347199227 380998546 /nfs/dbraw/zinc/99/85/46/380998546.db2.gz IRTFYEISEOXTQV-GFCCVEGCSA-N 2 0 282.815 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000353985790 381000453 /nfs/dbraw/zinc/00/04/53/381000453.db2.gz FEHLUZSXRPBGBU-SRVKXCTJSA-N 2 0 276.346 2.791 20 0 CFADRP CSCc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000353986307 381002226 /nfs/dbraw/zinc/00/22/26/381002226.db2.gz INUHRHDDAUQLOB-BBRMVZONSA-N 2 0 278.465 2.979 20 0 CFADRP CO[C@@H](C)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358670749 381003461 /nfs/dbraw/zinc/00/34/61/381003461.db2.gz WWIMGKALJMJZJO-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000368388817 381008297 /nfs/dbraw/zinc/00/82/97/381008297.db2.gz SZSQMNZVPKCIFM-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)(C)C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000341472002 381032582 /nfs/dbraw/zinc/03/25/82/381032582.db2.gz YBQVNFRGZYHXBO-UHFFFAOYSA-N 2 0 261.413 2.682 20 0 CFADRP C1CCC2(C1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)[C@@H]1CCO[C@H]12 ZINC000347269819 381038737 /nfs/dbraw/zinc/03/87/37/381038737.db2.gz OFWPLUCRMIPAEY-NQNKBUKLSA-N 2 0 290.451 2.551 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182264617 381044300 /nfs/dbraw/zinc/04/43/00/381044300.db2.gz UGVAVEXDNLRNHP-RKVPGOIHSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CCN1C ZINC000182397610 381080961 /nfs/dbraw/zinc/08/09/61/381080961.db2.gz XCWIQCUPLBQBPK-XJKSGUPXSA-N 2 0 292.398 2.813 20 0 CFADRP Cc1ccncc1CCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000289656684 381087629 /nfs/dbraw/zinc/08/76/29/381087629.db2.gz LTIWLRVRHZKRNV-UHFFFAOYSA-N 2 0 275.440 2.740 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1nccn1C ZINC000182457103 381091562 /nfs/dbraw/zinc/09/15/62/381091562.db2.gz ZGRCUEMTKUCPCX-OAGGEKHMSA-N 2 0 292.471 2.829 20 0 CFADRP Cc1ccc(CCC[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000354146859 381106716 /nfs/dbraw/zinc/10/67/16/381106716.db2.gz QTSBHGTZTDVUAU-UHFFFAOYSA-N 2 0 287.451 2.929 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000354166606 381119611 /nfs/dbraw/zinc/11/96/11/381119611.db2.gz UTAOSGBRDQKMFX-UHFFFAOYSA-N 2 0 269.392 2.741 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(OC)CC2)[C@@H](C)C1 ZINC000347417586 381137085 /nfs/dbraw/zinc/13/70/85/381137085.db2.gz BJMOJVZWWJRTSA-SLTXQBBLSA-N 2 0 268.445 2.512 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423160327 295589212 /nfs/dbraw/zinc/58/92/12/295589212.db2.gz QKQUBLDYIJFKJT-URGYJCLVSA-N 2 0 270.486 2.886 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@H](C)C1 ZINC000347425926 381143275 /nfs/dbraw/zinc/14/32/75/381143275.db2.gz WMUJMHQNIOVSOC-MNOVXSKESA-N 2 0 252.324 2.649 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cn1cccn1 ZINC000347425119 381143469 /nfs/dbraw/zinc/14/34/69/381143469.db2.gz XMWYAMPJITWXEO-YESZJQIVSA-N 2 0 292.471 2.762 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccnn2C)CC1 ZINC000182764018 381151097 /nfs/dbraw/zinc/15/10/97/381151097.db2.gz GDVHXSBGUSOPTJ-UHFFFAOYSA-N 2 0 292.471 2.754 20 0 CFADRP CC[C@@H](O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182760414 381151980 /nfs/dbraw/zinc/15/19/80/381151980.db2.gz HOMPYVHGKWWIBC-MRXNPFEDSA-N 2 0 270.461 2.591 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2cccnc2)CC1 ZINC000358922774 381156011 /nfs/dbraw/zinc/15/60/11/381156011.db2.gz INCMLUZFTUUADT-UHFFFAOYSA-N 2 0 275.440 2.678 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCCO2)C[C@H]1C ZINC000347449639 381159737 /nfs/dbraw/zinc/15/97/37/381159737.db2.gz XHSDZQJCLOWPGH-OWCLPIDISA-N 2 0 268.445 2.750 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000182634455 381124531 /nfs/dbraw/zinc/12/45/31/381124531.db2.gz ZQQFNFVKTPBGNN-GJZGRUSLSA-N 2 0 298.471 2.817 20 0 CFADRP Cc1cc2cc(C[NH2+]CCOCC[NH+](C)C)oc2cc1C ZINC000354188192 381129367 /nfs/dbraw/zinc/12/93/67/381129367.db2.gz DSWHHPAQMHOYPY-UHFFFAOYSA-N 2 0 290.407 2.717 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCOC ZINC000347407136 381130210 /nfs/dbraw/zinc/13/02/10/381130210.db2.gz DGZNXBJBLBYASO-PMPSAXMXSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(F)cc1 ZINC000347495709 381187682 /nfs/dbraw/zinc/18/76/82/381187682.db2.gz XRLHURKDQFYQOB-UHFFFAOYSA-N 2 0 252.377 2.989 20 0 CFADRP CC(C)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182965148 381190199 /nfs/dbraw/zinc/19/01/99/381190199.db2.gz OUKCCBMRWMITQS-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000358987424 381196526 /nfs/dbraw/zinc/19/65/26/381196526.db2.gz MIONQNRROABWGS-IAGOWNOFSA-N 2 0 282.472 2.927 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369194332 381210932 /nfs/dbraw/zinc/21/09/32/381210932.db2.gz OUKITSSZYXPVIB-OKZBNKHCSA-N 2 0 295.515 2.626 20 0 CFADRP C[C@H]([NH2+]Cc1cc[nH]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100035 381216580 /nfs/dbraw/zinc/21/65/80/381216580.db2.gz PVKSYBSFRGVIBF-DZGCQCFKSA-N 2 0 261.413 2.757 20 0 CFADRP Cc1c[nH]nc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000289994264 381253946 /nfs/dbraw/zinc/25/39/46/381253946.db2.gz SOLUOWLTNKBNED-UHFFFAOYSA-N 2 0 286.423 2.848 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1O ZINC000290019822 381262958 /nfs/dbraw/zinc/26/29/58/381262958.db2.gz AICQKZYYSPSKOS-DYEKYZERSA-N 2 0 290.407 2.677 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000359043530 381231084 /nfs/dbraw/zinc/23/10/84/381231084.db2.gz DKXKQPWYFPMYQM-CJNGLKHVSA-N 2 0 264.388 2.688 20 0 CFADRP CC(C)[NH+](CCCN[C@@H](c1nccn1C)C1CC1)C(C)C ZINC000183291612 381249977 /nfs/dbraw/zinc/24/99/77/381249977.db2.gz XFLJKYPCJQGARE-MRXNPFEDSA-N 2 0 292.471 2.970 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359219855 381292982 /nfs/dbraw/zinc/29/29/82/381292982.db2.gz MPKUPBADEMADMU-UHFFFAOYSA-N 3 0 295.515 2.820 20 0 CFADRP Cc1ccc(SCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000359284179 381327057 /nfs/dbraw/zinc/32/70/57/381327057.db2.gz LFLFZCVOMDNQPO-GASCZTMLSA-N 2 0 276.449 2.547 20 0 CFADRP Cc1ccc(SCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000359284184 381327726 /nfs/dbraw/zinc/32/77/26/381327726.db2.gz LFLFZCVOMDNQPO-GJZGRUSLSA-N 2 0 276.449 2.547 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000183702868 381309336 /nfs/dbraw/zinc/30/93/36/381309336.db2.gz PNTHJZBIHRBHJI-CABCVRRESA-N 2 0 298.471 2.817 20 0 CFADRP c1cn(CCNc2ncccc2OCc2ccccc2)cn1 ZINC000354515903 381313777 /nfs/dbraw/zinc/31/37/77/381313777.db2.gz YNBPSMBSOIDXHR-UHFFFAOYSA-N 2 0 294.358 2.969 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(O)cc(F)c3)C2)CC1 ZINC000290289106 381370153 /nfs/dbraw/zinc/37/01/53/381370153.db2.gz AEAWCBMZPHXEMD-HNNXBMFYSA-N 2 0 292.398 2.695 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1C ZINC000290390481 381409845 /nfs/dbraw/zinc/40/98/45/381409845.db2.gz ISLLPTXSYYTURK-DLBZAZTESA-N 2 0 288.435 2.920 20 0 CFADRP C[C@H]1CC[C@H](C)[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347853482 381380063 /nfs/dbraw/zinc/38/00/63/381380063.db2.gz BWBHLVKTGUVJGQ-RYUDHWBXSA-N 2 0 267.442 2.825 20 0 CFADRP COc1ccccc1[C@@H](CNc1cc[nH+]cc1C)[NH+](C)C ZINC000359379172 381385436 /nfs/dbraw/zinc/38/54/36/381385436.db2.gz NWHQUHHKTNXYEI-MRXNPFEDSA-N 2 0 285.391 2.535 20 0 CFADRP OC1CC[NH+](CCC[NH2+]CCC2CCCCCC2)CC1 ZINC000347899277 381403782 /nfs/dbraw/zinc/40/37/82/381403782.db2.gz IUHDNZKKUUEBBO-UHFFFAOYSA-N 2 0 282.472 2.783 20 0 CFADRP CCC[N@@H+](CCCc1cnccc1C)CCC[NH+](C)C ZINC000290427421 381425159 /nfs/dbraw/zinc/42/51/59/381425159.db2.gz LEMHLSJCVFWBNA-UHFFFAOYSA-N 3 0 277.456 2.986 20 0 CFADRP COC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000184507051 381425287 /nfs/dbraw/zinc/42/52/87/381425287.db2.gz IEUJOKQJECWRKB-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000359477633 381425677 /nfs/dbraw/zinc/42/56/77/381425677.db2.gz DFTSQRSEKLTGJK-KRWDZBQOSA-N 2 0 281.403 2.888 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]CC2CCOCC2)[C@@H]1c1ccccc1 ZINC000370310664 381427112 /nfs/dbraw/zinc/42/71/12/381427112.db2.gz RPEVYLBPMPODCB-ROUUACIJSA-N 2 0 288.435 2.696 20 0 CFADRP c1c2ccccc2sc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359479125 381427309 /nfs/dbraw/zinc/42/73/09/381427309.db2.gz XXKPKAKCLKIMME-CHWSQXEVSA-N 2 0 258.390 2.553 20 0 CFADRP c1c2ccccc2sc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359479126 381427603 /nfs/dbraw/zinc/42/76/03/381427603.db2.gz XXKPKAKCLKIMME-STQMWFEESA-N 2 0 258.390 2.553 20 0 CFADRP c1cc2nccc(N3CCC(C[NH+]4CCCC4)CC3)c2cn1 ZINC000370353779 381434585 /nfs/dbraw/zinc/43/45/85/381434585.db2.gz SNSPYMMDSNCPNP-UHFFFAOYSA-N 2 0 296.418 2.942 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000290456287 381435838 /nfs/dbraw/zinc/43/58/38/381435838.db2.gz MRMVFGCLURTWSZ-DYVFJYSZSA-N 2 0 271.408 2.940 20 0 CFADRP COc1cc2c(cc1F)nccc2N1CC[N@H+](C)C[C@@H]1C ZINC000359500262 381437755 /nfs/dbraw/zinc/43/77/55/381437755.db2.gz GMXRKSOCFHZKCG-NSHDSACASA-N 2 0 289.354 2.523 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000296580608 381459147 /nfs/dbraw/zinc/45/91/47/381459147.db2.gz WWEPCUVUAIUAPB-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCOC(C)(C)C)CC[C@@H]21 ZINC000354805708 381462750 /nfs/dbraw/zinc/46/27/50/381462750.db2.gz JZAFRNZATGFTKQ-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290520273 381464459 /nfs/dbraw/zinc/46/44/59/381464459.db2.gz YYVOZZATBKQFTP-AWEZNQCLSA-N 2 0 279.428 2.546 20 0 CFADRP CC1CCC([NH+]2CCC([NH2+]CC3=CCCOC3)CC2)CC1 ZINC000370755558 381507218 /nfs/dbraw/zinc/50/72/18/381507218.db2.gz XAMHPCXSVCLDCW-UHFFFAOYSA-N 2 0 292.467 2.966 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(CC)C2)[C@H](C)C1 ZINC000342734310 381507832 /nfs/dbraw/zinc/50/78/32/381507832.db2.gz NNDDADAMOWEVLE-RDHHWEPZSA-N 2 0 282.472 2.902 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)o1 ZINC000290641871 381507986 /nfs/dbraw/zinc/50/79/86/381507986.db2.gz YNQZOWUPTKUHSL-CJNGLKHVSA-N 2 0 262.397 2.758 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCCOC(C)(C)C)C1 ZINC000354859488 381491434 /nfs/dbraw/zinc/49/14/34/381491434.db2.gz UHHVAGOMSKVFFS-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000290593978 381493311 /nfs/dbraw/zinc/49/33/11/381493311.db2.gz VNRJGFRKKZMHKE-CHWSQXEVSA-N 2 0 280.437 2.673 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCOc3ccccc3)C2)CC1 ZINC000370706627 381493548 /nfs/dbraw/zinc/49/35/48/381493548.db2.gz MOTPKXQQKZOOFM-UHFFFAOYSA-N 2 0 288.435 2.873 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000348306032 381494074 /nfs/dbraw/zinc/49/40/74/381494074.db2.gz WKXIJPJPAAOJMK-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CCSCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354865268 381496250 /nfs/dbraw/zinc/49/62/50/381496250.db2.gz WHDGPJASCJKHKF-UHFFFAOYSA-N 2 0 293.480 2.983 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000359658655 381537647 /nfs/dbraw/zinc/53/76/47/381537647.db2.gz DTHJIABWCLUWES-LLVKDONJSA-N 2 0 267.804 2.727 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000296777253 381538824 /nfs/dbraw/zinc/53/88/24/381538824.db2.gz FAQATEXXDOWZMY-AWEZNQCLSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OCc1ccccc1 ZINC000354920792 381522503 /nfs/dbraw/zinc/52/25/03/381522503.db2.gz PIKFPNSMATVAOO-AEFFLSMTSA-N 2 0 290.451 2.865 20 0 CFADRP CC(C)=CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000359680130 381551519 /nfs/dbraw/zinc/55/15/19/381551519.db2.gz YQUMXMZXZXWHSH-UHFFFAOYSA-N 2 0 256.353 2.632 20 0 CFADRP CCc1ccc(CN(C)CCC[NH+]2CCCC2)cn1 ZINC000348357350 381528762 /nfs/dbraw/zinc/52/87/62/381528762.db2.gz OQKSFLSMFYLOMZ-UHFFFAOYSA-N 2 0 261.413 2.562 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)CC[C@H]2CCCO2)cn1 ZINC000354936015 381529838 /nfs/dbraw/zinc/52/98/38/381529838.db2.gz UHHUJTAHZSZJPG-MRXNPFEDSA-N 2 0 262.397 2.824 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000342838509 381577361 /nfs/dbraw/zinc/57/73/61/381577361.db2.gz OSIDWPWGKDDNGA-ZBFHGGJFSA-N 2 0 288.435 2.905 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000359684588 381554945 /nfs/dbraw/zinc/55/49/45/381554945.db2.gz IZDGOOCMVVQJHV-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cc[nH+]1 ZINC000297309141 381557873 /nfs/dbraw/zinc/55/78/73/381557873.db2.gz BURMKFUWJCWZQF-AWEZNQCLSA-N 2 0 291.464 2.783 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(c3cccc(OC)c3)CC2)CC1 ZINC000290806561 381558729 /nfs/dbraw/zinc/55/87/29/381558729.db2.gz VVCHGYRJTYTWOS-UHFFFAOYSA-N 2 0 288.435 2.801 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)C1 ZINC000185204256 381562745 /nfs/dbraw/zinc/56/27/45/381562745.db2.gz UWKNDLJEYLUTLH-XHSDSOJGSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348430364 381565821 /nfs/dbraw/zinc/56/58/21/381565821.db2.gz ZEEINSYQCKZROQ-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000185219599 381568719 /nfs/dbraw/zinc/56/87/19/381568719.db2.gz KLVGGTIXUKGTNL-JKSUJKDBSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414204056 381570688 /nfs/dbraw/zinc/57/06/88/381570688.db2.gz ZTQQIFURFASADQ-GJZGRUSLSA-N 2 0 261.413 2.773 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000414198177 381572108 /nfs/dbraw/zinc/57/21/08/381572108.db2.gz WFJHPVSFJZRIOE-RDJZCZTQSA-N 2 0 288.435 2.702 20 0 CFADRP CN(CC[NH2+]C(C)(C)C)[C@H]1CCc2ccccc2C1 ZINC000414709379 381601001 /nfs/dbraw/zinc/60/10/01/381601001.db2.gz RAPXUXJDNLYIPF-INIZCTEOSA-N 2 0 260.425 2.864 20 0 CFADRP Cc1cnc([C@H](NCC[C@H]2CCC[N@H+]2C)C2CC2)s1 ZINC000185282956 381586066 /nfs/dbraw/zinc/58/60/66/381586066.db2.gz KJIVDNODWVTNHY-ZIAGYGMSSA-N 2 0 279.453 2.977 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414813051 381608277 /nfs/dbraw/zinc/60/82/77/381608277.db2.gz YCWVOMKBYLWIGG-RCBQFDQVSA-N 2 0 278.827 2.914 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414908648 381611710 /nfs/dbraw/zinc/61/17/10/381611710.db2.gz QMOJXBANLBENDJ-UHFFFAOYSA-N 2 0 265.159 2.961 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000414924783 381612958 /nfs/dbraw/zinc/61/29/58/381612958.db2.gz KUMYUWKNFWIKGR-NEPJUHHUSA-N 2 0 288.313 2.945 20 0 CFADRP C[N@H+]1CC=C(CNCc2ccnc(Cl)c2Cl)CC1 ZINC000290966312 381613229 /nfs/dbraw/zinc/61/32/29/381613229.db2.gz WXGBFLPMLRKWOG-UHFFFAOYSA-N 2 0 286.206 2.740 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000414927261 381615194 /nfs/dbraw/zinc/61/51/94/381615194.db2.gz ONLLYNUWBXPWQR-HUUCEWRRSA-N 2 0 262.397 2.705 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1cccc(-c2nccn2C)c1 ZINC000371446409 381628928 /nfs/dbraw/zinc/62/89/28/381628928.db2.gz DCVCHKMJEPBTKK-CQSZACIVSA-N 2 0 287.407 2.992 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928973 381618325 /nfs/dbraw/zinc/61/83/25/381618325.db2.gz QVQHKSNDSHOZRD-VHDGCEQUSA-N 2 0 290.407 2.596 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414928183 381618658 /nfs/dbraw/zinc/61/86/58/381618658.db2.gz PXSLIAOFKJOYFG-RYUDHWBXSA-N 2 0 268.788 2.708 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414934040 381624363 /nfs/dbraw/zinc/62/43/63/381624363.db2.gz AEMMAZLAPGHCFV-KBXCAEBGSA-N 2 0 281.403 2.836 20 0 CFADRP CSc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000298435301 381624389 /nfs/dbraw/zinc/62/43/89/381624389.db2.gz XNTMVMHLWAGIEP-DZGCQCFKSA-N 2 0 294.464 2.516 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414943901 381634352 /nfs/dbraw/zinc/63/43/52/381634352.db2.gz ONNLBSLHOAILGZ-MSOLQXFVSA-N 2 0 285.435 2.803 20 0 CFADRP COC[C@]1(C[NH2+]CC2CCC(C)(C)CC2)CCC[NH2+]1 ZINC000414941128 381632330 /nfs/dbraw/zinc/63/23/30/381632330.db2.gz IKUFUYMCSYHNNL-MRXNPFEDSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414943882 381633568 /nfs/dbraw/zinc/63/35/68/381633568.db2.gz OMTAOEDMYLTYFK-XJKCOSOUSA-N 2 0 264.388 2.734 20 0 CFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000371468396 381633767 /nfs/dbraw/zinc/63/37/67/381633767.db2.gz AQKWXDBKKCWCFS-VNQPRFMTSA-N 2 0 294.464 2.740 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414954736 381648075 /nfs/dbraw/zinc/64/80/75/381648075.db2.gz KRUMNMHHPJBZFJ-WMLDXEAASA-N 2 0 276.424 2.809 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H](CN)c2ccc3ccccc3c2)CC[NH2+]1 ZINC000414948107 381639074 /nfs/dbraw/zinc/63/90/74/381639074.db2.gz XOPAIJOIJXQJIV-SPYBWZPUSA-N 2 0 297.446 2.817 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414952127 381643419 /nfs/dbraw/zinc/64/34/19/381643419.db2.gz QNBDIBWALBKVNM-XJKSGUPXSA-N 2 0 284.407 2.615 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C2 ZINC000414960988 381657087 /nfs/dbraw/zinc/65/70/87/381657087.db2.gz HOVVWLHVLXRZCH-JKSUJKDBSA-N 2 0 278.827 2.929 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414962574 381658206 /nfs/dbraw/zinc/65/82/06/381658206.db2.gz WJFJTADWHOETQD-QZTJIDSGSA-N 2 0 290.451 2.674 20 0 CFADRP Cc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1F ZINC000414965244 381662468 /nfs/dbraw/zinc/66/24/68/381662468.db2.gz FEHSWJJEGNSENA-CQSZACIVSA-N 2 0 250.361 2.756 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000414966506 381663699 /nfs/dbraw/zinc/66/36/99/381663699.db2.gz GKTRCIXPGNLBMS-DOMZBBRYSA-N 2 0 264.388 2.907 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCc2ccsc2)CC[NH2+]CC1 ZINC000414968363 381665609 /nfs/dbraw/zinc/66/56/09/381665609.db2.gz FMCFNOQACBIEKX-AWEZNQCLSA-N 2 0 296.480 2.675 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414969602 381665993 /nfs/dbraw/zinc/66/59/93/381665993.db2.gz ZLCZLEIIQRYAGT-KGLIPLIRSA-N 2 0 285.435 2.921 20 0 CFADRP Clc1cccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414970409 381667530 /nfs/dbraw/zinc/66/75/30/381667530.db2.gz KLYIYJAGTDILAQ-CQSZACIVSA-N 2 0 252.789 2.962 20 0 CFADRP COCC1(C[NH2+]C[C@@H](C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000414970381 381667691 /nfs/dbraw/zinc/66/76/91/381667691.db2.gz HOQMVYBKZGWKPT-CQSZACIVSA-N 2 0 294.414 2.535 20 0 CFADRP COc1cccc(C[N@H+](C)CCCC2CC[NH2+]CC2)c1 ZINC000050953120 412952024 /nfs/dbraw/zinc/95/20/24/412952024.db2.gz ZXWFGOXGWGXBDM-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP COCC1(C[NH2+]CC2CCCCCC2)CC[NH2+]CC1 ZINC000414975407 381669803 /nfs/dbraw/zinc/66/98/03/381669803.db2.gz OBYGVBHWVPMLOD-UHFFFAOYSA-N 2 0 268.445 2.563 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371656259 381672456 /nfs/dbraw/zinc/67/24/56/381672456.db2.gz QYXWNMIOWNQFRQ-IAGOWNOFSA-N 2 0 298.434 2.767 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371519060 381650414 /nfs/dbraw/zinc/65/04/14/381650414.db2.gz JXUUKRGOHSJZAR-BBWFWOEESA-N 2 0 276.424 2.694 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000414957986 381650953 /nfs/dbraw/zinc/65/09/53/381650953.db2.gz CHPVVMGHAIILAV-PBHICJAKSA-N 2 0 275.440 2.978 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414959192 381654200 /nfs/dbraw/zinc/65/42/00/381654200.db2.gz PVGDANVBYNINLT-PVAVHDDUSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000415013487 381708466 /nfs/dbraw/zinc/70/84/66/381708466.db2.gz KPBDUKODFBDGJF-NXEZZACHSA-N 2 0 258.768 2.737 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000415015265 381710544 /nfs/dbraw/zinc/71/05/44/381710544.db2.gz NXFFZEOTGSOHBU-SNVBAGLBSA-N 2 0 286.322 2.615 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc3c2NCC3)CC1 ZINC000415018151 381711088 /nfs/dbraw/zinc/71/10/88/381711088.db2.gz BLZSKPLGWCVHSV-HDJSIYSDSA-N 2 0 273.424 2.509 20 0 CFADRP C[C@H]1CCc2nc(C[NH2+]C(C)(C)CCC[NH3+])sc2C1 ZINC000415018200 381712014 /nfs/dbraw/zinc/71/20/14/381712014.db2.gz TYNCAIDEPXBRQW-NSHDSACASA-N 2 0 281.469 2.875 20 0 CFADRP C[C@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415017663 381712069 /nfs/dbraw/zinc/71/20/69/381712069.db2.gz QIVYMMQZBVCLHN-STQMWFEESA-N 2 0 295.858 2.630 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415018540 381713133 /nfs/dbraw/zinc/71/31/33/381713133.db2.gz UIGJXURAFLFXCQ-LBPRGKRZSA-N 2 0 280.460 2.862 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000415018641 381713291 /nfs/dbraw/zinc/71/32/91/381713291.db2.gz URGZKKQRCJHEBS-QMMMGPOBSA-N 2 0 281.347 2.769 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1F ZINC000415020303 381714904 /nfs/dbraw/zinc/71/49/04/381714904.db2.gz WZMCUYCILJNXQU-GFCCVEGCSA-N 2 0 268.376 2.832 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415020845 381715080 /nfs/dbraw/zinc/71/50/80/381715080.db2.gz XUWKYZBEMQNREX-UONOGXRCSA-N 2 0 292.423 2.844 20 0 CFADRP CCN(CC)c1ncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414981506 381675401 /nfs/dbraw/zinc/67/54/01/381675401.db2.gz XVQVUGLXFKYCKQ-ZDUSSCGKSA-N 2 0 296.484 2.611 20 0 CFADRP COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414980361 381675740 /nfs/dbraw/zinc/67/57/40/381675740.db2.gz WIBCJMKQUAMKOS-ZDUSSCGKSA-N 2 0 282.815 2.970 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000414985312 381678923 /nfs/dbraw/zinc/67/89/23/381678923.db2.gz BEXXJTUGFCVYOR-MLGOLLRUSA-N 2 0 287.382 2.981 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414987892 381681631 /nfs/dbraw/zinc/68/16/31/381681631.db2.gz FDPSADXPPJGLEN-AAEUAGOBSA-N 2 0 284.350 2.895 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2nccn2Cc2ccccc2)C1 ZINC000414986445 381681637 /nfs/dbraw/zinc/68/16/37/381681637.db2.gz CJEJSVOXWMXTBE-DLBZAZTESA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000414988320 381683247 /nfs/dbraw/zinc/68/32/47/381683247.db2.gz FRSSOBLCAKKBPP-PWSUYJOCSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414994403 381687927 /nfs/dbraw/zinc/68/79/27/381687927.db2.gz DNAYGPQOYNGONP-IAQYHMDHSA-N 2 0 294.826 2.882 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414997366 381688855 /nfs/dbraw/zinc/68/88/55/381688855.db2.gz HFXPXGWVCIHIRG-BBRMVZONSA-N 2 0 276.424 2.865 20 0 CFADRP C1=C(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)COCC1 ZINC000359995269 381716974 /nfs/dbraw/zinc/71/69/74/381716974.db2.gz OHZQECJIMCLLNE-UHFFFAOYSA-N 2 0 292.467 2.967 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415001957 381694764 /nfs/dbraw/zinc/69/47/64/381694764.db2.gz CZWGLBKJNYJBEB-LQKXBSAESA-N 2 0 250.430 2.790 20 0 CFADRP CCCOc1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415002383 381695221 /nfs/dbraw/zinc/69/52/21/381695221.db2.gz DEYJRCPRMVGJGV-STQMWFEESA-N 2 0 280.412 2.699 20 0 CFADRP CC[C@@H](C[NH2+]CC1(OC)CCCCC1)N1CCCC1 ZINC000359958850 381697733 /nfs/dbraw/zinc/69/77/33/381697733.db2.gz OXKOCVAGSRJJAK-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000415005517 381698644 /nfs/dbraw/zinc/69/86/44/381698644.db2.gz PCGMCLWASUKXNX-XYPHTWIQSA-N 2 0 258.409 2.651 20 0 CFADRP Clc1sccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000359963918 381700040 /nfs/dbraw/zinc/70/00/40/381700040.db2.gz OVWKBYVEPUYOTH-UHFFFAOYSA-N 2 0 288.844 2.604 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009461 381702918 /nfs/dbraw/zinc/70/29/18/381702918.db2.gz OCYBYRROTUOIPJ-DOTOQJQBSA-N 2 0 258.409 2.781 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415009537 381703047 /nfs/dbraw/zinc/70/30/47/381703047.db2.gz UFPQKUXAXTWWNN-QWHCGFSZSA-N 2 0 281.469 2.949 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c(Cl)c1 ZINC000415010164 381704183 /nfs/dbraw/zinc/70/41/83/381704183.db2.gz GOLSJBVGHNEZFB-TUAOUCFPSA-N 2 0 297.830 2.691 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1OC ZINC000415012562 381706134 /nfs/dbraw/zinc/70/61/34/381706134.db2.gz JJXFEMFNBXNNAV-KGLIPLIRSA-N 2 0 294.439 2.742 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000415012511 381706294 /nfs/dbraw/zinc/70/62/94/381706294.db2.gz JDIXGMXCAQNAJY-LLVKDONJSA-N 2 0 276.384 2.585 20 0 CFADRP Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415011884 381706836 /nfs/dbraw/zinc/70/68/36/381706836.db2.gz RGTJPILBOOPMFR-DLBZAZTESA-N 2 0 258.409 2.781 20 0 CFADRP C[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000415013547 381707948 /nfs/dbraw/zinc/70/79/48/381707948.db2.gz KWYGXHQZSBZFTK-QWHCGFSZSA-N 2 0 295.858 2.630 20 0 CFADRP CCC(C)(C)C1CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415039982 381728477 /nfs/dbraw/zinc/72/84/77/381728477.db2.gz NWOIBECDTYKBTM-UYSNPLJNSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000415039760 381728619 /nfs/dbraw/zinc/72/86/19/381728619.db2.gz OCRPDNSYMUHZGK-YPMHNXCESA-N 2 0 297.240 2.975 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415044479 381732601 /nfs/dbraw/zinc/73/26/01/381732601.db2.gz SSWIGCFZHCVCGC-NEPJUHHUSA-N 2 0 267.442 2.559 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415049247 381734546 /nfs/dbraw/zinc/73/45/46/381734546.db2.gz XOQPILKIPGXFRD-QWHCGFSZSA-N 2 0 250.411 2.626 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000415049678 381736470 /nfs/dbraw/zinc/73/64/70/381736470.db2.gz XTRGGMTWMHZRDP-HBIQZDMRSA-N 2 0 264.335 2.825 20 0 CFADRP COc1ccsc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415054041 381740510 /nfs/dbraw/zinc/74/05/10/381740510.db2.gz PLEFBKYWSILYIT-QWHCGFSZSA-N 2 0 280.437 2.721 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@H]1C ZINC000415054482 381740578 /nfs/dbraw/zinc/74/05/78/381740578.db2.gz NNHKOUMOZJOLFA-VHVZWYKPSA-N 2 0 293.499 2.617 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1OCC(C)C ZINC000415055526 381740800 /nfs/dbraw/zinc/74/08/00/381740800.db2.gz GDVYTDWOGUDNKC-AWEZNQCLSA-N 2 0 294.439 2.947 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415056662 381742331 /nfs/dbraw/zinc/74/23/31/381742331.db2.gz QCYASUFHSIQPMT-GOSISDBHSA-N 3 0 289.467 2.929 20 0 CFADRP Cc1ccncc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415058566 381744545 /nfs/dbraw/zinc/74/45/45/381744545.db2.gz UCGMWLMFTGEGCF-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415059381 381744945 /nfs/dbraw/zinc/74/49/45/381744945.db2.gz WUFGLQIWNNZGJI-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)o1 ZINC000372065523 381746172 /nfs/dbraw/zinc/74/61/72/381746172.db2.gz QGLDJDNOWKSOSB-JYJNAYRXSA-N 2 0 292.423 2.740 20 0 CFADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(Cl)c1OC ZINC000415060939 381746938 /nfs/dbraw/zinc/74/69/38/381746938.db2.gz KKTPJAHWGRPACR-SNVBAGLBSA-N 2 0 286.803 2.574 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000348869795 381747404 /nfs/dbraw/zinc/74/74/04/381747404.db2.gz PBLPTJUQGZPNAW-CTVHLWBWSA-N 2 0 280.456 2.749 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415064382 381748689 /nfs/dbraw/zinc/74/86/89/381748689.db2.gz CKWNOZCHGJWXMM-GXTWGEPZSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CCC[NH2+]C1CC1 ZINC000415073410 381759453 /nfs/dbraw/zinc/75/94/53/381759453.db2.gz YKHJZZMKKMMNST-ZDUSSCGKSA-N 2 0 264.388 2.879 20 0 CFADRP c1cncc(-c2cccc(C[NH2+]CCC[NH2+]C3CC3)c2)c1 ZINC000415067063 381754633 /nfs/dbraw/zinc/75/46/33/381754633.db2.gz JXRIBYRJYQFLOF-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP CCN1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343500469 381755193 /nfs/dbraw/zinc/75/51/93/381755193.db2.gz CUXVMGOMFAVPDE-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000415024618 381718416 /nfs/dbraw/zinc/71/84/16/381718416.db2.gz PGNDAZIDVCRSJM-GFCCVEGCSA-N 2 0 262.397 2.617 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1Br ZINC000415026547 381719452 /nfs/dbraw/zinc/71/94/52/381719452.db2.gz ULZWVLGHICNPTP-LLVKDONJSA-N 2 0 285.229 2.975 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000415027891 381719743 /nfs/dbraw/zinc/71/97/43/381719743.db2.gz BWTDNKXVJOWWIL-LZDOMEQBSA-N 2 0 258.409 2.896 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415027243 381720134 /nfs/dbraw/zinc/72/01/34/381720134.db2.gz ASFASRVWMKCBAY-IMJJTQAJSA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415029959 381721254 /nfs/dbraw/zinc/72/12/54/381721254.db2.gz FHMHLDNZARIFFF-WDEREUQCSA-N 2 0 267.442 2.658 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000415028523 381721680 /nfs/dbraw/zinc/72/16/80/381721680.db2.gz YZIDNXYXUKUSQT-YHUYYLMFSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2cccc3c2CCCN3)CC[NH2+]1 ZINC000415034018 381725029 /nfs/dbraw/zinc/72/50/29/381725029.db2.gz KPQUTOQUMAMGTR-KBPBESRZSA-N 2 0 273.424 2.522 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC(C)(C)O)CC2)C1 ZINC000360011392 381725262 /nfs/dbraw/zinc/72/52/62/381725262.db2.gz NMAVFPQIEXSYNO-GOEBONIOSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000415100791 381781878 /nfs/dbraw/zinc/78/18/78/381781878.db2.gz ICYUAXSWFCGLQX-BFQNTYOBSA-N 2 0 262.372 2.933 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415103261 381783146 /nfs/dbraw/zinc/78/31/46/381783146.db2.gz CZKHLXFECACVRJ-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104095 381783531 /nfs/dbraw/zinc/78/35/31/381783531.db2.gz GMAWWRNEMRYLCC-IMJJTQAJSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1csc(C(C)C)n1 ZINC000415112380 381788457 /nfs/dbraw/zinc/78/84/57/381788457.db2.gz RVGDYCRFAOIRST-GFCCVEGCSA-N 2 0 269.458 2.772 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000415112206 381788983 /nfs/dbraw/zinc/78/89/83/381788983.db2.gz PZYDMAFHGYZNEA-CZUORRHYSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cnccc2C(C)(C)C)CC[NH2+]1 ZINC000415119367 381789886 /nfs/dbraw/zinc/78/98/86/381789886.db2.gz HSTRSBHZYZEVSZ-KGLIPLIRSA-N 2 0 275.440 2.857 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000415119859 381790123 /nfs/dbraw/zinc/79/01/23/381790123.db2.gz XYHGRGMZLZEZEI-JSGCOSHPSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1F ZINC000415119861 381790636 /nfs/dbraw/zinc/79/06/36/381790636.db2.gz XYHGRGMZLZEZEI-TZMCWYRMSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415116840 381790708 /nfs/dbraw/zinc/79/07/08/381790708.db2.gz WJXDPRKVEFYZDY-GOEBONIOSA-N 2 0 261.413 2.525 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@H]([NH3+])CC(C)C)CC1 ZINC000415119837 381790733 /nfs/dbraw/zinc/79/07/33/381790733.db2.gz XRNKLSCGZUIZKD-OAHLLOKOSA-N 2 0 260.425 2.990 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@@H]([NH3+])CC(C)C)CC1 ZINC000415119836 381790806 /nfs/dbraw/zinc/79/08/06/381790806.db2.gz XRNKLSCGZUIZKD-HNNXBMFYSA-N 2 0 260.425 2.990 20 0 CFADRP Cc1[nH+]ccc(N(C)CC[N@H+](C)C2CC2)c1Cl ZINC000355679695 381793449 /nfs/dbraw/zinc/79/34/49/381793449.db2.gz WNABTJKTSVNRBJ-UHFFFAOYSA-N 2 0 253.777 2.574 20 0 CFADRP Cc1ccc(N[C@@H](C)C[C@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000415122980 381794743 /nfs/dbraw/zinc/79/47/43/381794743.db2.gz OVPIVQDIOCQWMH-GOEBONIOSA-N 2 0 275.440 2.999 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000355682664 381794986 /nfs/dbraw/zinc/79/49/86/381794986.db2.gz QEVLJXWIONWVLH-KURKYZTESA-N 2 0 295.515 2.911 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1F ZINC000415074486 381761365 /nfs/dbraw/zinc/76/13/65/381761365.db2.gz AEYAVFGTHFSYNM-JSGCOSHPSA-N 2 0 250.361 2.612 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000415075284 381761449 /nfs/dbraw/zinc/76/14/49/381761449.db2.gz BGCBZTFZELLIRR-INIZCTEOSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC[NH2+]1 ZINC000415078622 381763626 /nfs/dbraw/zinc/76/36/26/381763626.db2.gz GRRJCVCYXYJREZ-WCVJEAGWSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)CC[NH2+]1 ZINC000415078620 381764125 /nfs/dbraw/zinc/76/41/25/381764125.db2.gz GRRJCVCYXYJREZ-LVQVYYBASA-N 2 0 282.472 2.805 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130974 381799266 /nfs/dbraw/zinc/79/92/66/381799266.db2.gz YFTRCJJDYCHFKW-CVEARBPZSA-N 2 0 268.445 2.641 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1F ZINC000415082826 381767606 /nfs/dbraw/zinc/76/76/06/381767606.db2.gz MDQTXDBBYXBLRY-JSGCOSHPSA-N 2 0 250.361 2.754 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000415083290 381767749 /nfs/dbraw/zinc/76/77/49/381767749.db2.gz MWGGNTLFKGCWDY-MNOVXSKESA-N 2 0 272.845 2.922 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)ccc1OC ZINC000415083093 381767798 /nfs/dbraw/zinc/76/77/98/381767798.db2.gz FFCGSORSAHJTMZ-DZGCQCFKSA-N 2 0 292.423 2.714 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000415083167 381768467 /nfs/dbraw/zinc/76/84/67/381768467.db2.gz NAXGHPOSKCAOQP-UHFFFAOYSA-N 2 0 293.358 2.769 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000415084582 381769325 /nfs/dbraw/zinc/76/93/25/381769325.db2.gz OVYOGJIWMOPTDW-DGCLKSJQSA-N 2 0 282.815 2.969 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415084940 381770746 /nfs/dbraw/zinc/77/07/46/381770746.db2.gz RZGQBIKSUXXILG-HRCADAONSA-N 2 0 276.424 2.883 20 0 CFADRP CC[C@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)Oc1ccccc1C ZINC000415087605 381773672 /nfs/dbraw/zinc/77/36/72/381773672.db2.gz WFCBDWGZWPZLTI-NVXWUHKLSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000415090205 381774871 /nfs/dbraw/zinc/77/48/71/381774871.db2.gz YPSSQPBISHAYJJ-GDBMZVCRSA-N 2 0 284.407 2.665 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415089561 381774900 /nfs/dbraw/zinc/77/49/00/381774900.db2.gz YWOBMPCCPNJTNI-RWMBFGLXSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)Cc1cccs1 ZINC000415088664 381775334 /nfs/dbraw/zinc/77/53/34/381775334.db2.gz WPFXRQJJNCZXRI-OLZOCXBDSA-N 2 0 252.427 2.658 20 0 CFADRP [NH3+]C1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC000415090477 381776602 /nfs/dbraw/zinc/77/66/02/381776602.db2.gz OZBFWIGJNAXNDI-UHFFFAOYSA-N 2 0 250.361 2.618 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415091020 381777443 /nfs/dbraw/zinc/77/74/43/381777443.db2.gz YNWWOTLCXVCKKT-FRRDWIJNSA-N 2 0 280.387 2.873 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C\c3ccncc3)C2)CC1 ZINC000349181826 381840063 /nfs/dbraw/zinc/84/00/63/381840063.db2.gz FMRAXZUYLHEGNH-LHRDXKRPSA-N 2 0 285.435 2.759 20 0 CFADRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(OC)CCCCC1 ZINC000361549748 381841708 /nfs/dbraw/zinc/84/17/08/381841708.db2.gz BHWBZKJZUZAEMS-CVEARBPZSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000415139436 381803542 /nfs/dbraw/zinc/80/35/42/381803542.db2.gz ZQXUKBXSTSHULT-CLGDDFHISA-N 2 0 262.372 2.756 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000415137122 381803964 /nfs/dbraw/zinc/80/39/64/381803964.db2.gz XQHVUMRYHPXCBN-GOEBONIOSA-N 2 0 298.434 2.504 20 0 CFADRP CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000355780904 381805714 /nfs/dbraw/zinc/80/57/14/381805714.db2.gz JBNGRPTXAJLEFV-KRWDZBQOSA-N 2 0 258.409 2.994 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000349063574 381810612 /nfs/dbraw/zinc/81/06/12/381810612.db2.gz QLBQXJCURCXLKD-INIZCTEOSA-N 2 0 295.496 2.596 20 0 CFADRP CSC1(C[NH2+]CCC(C)(C)C)CC[NH+](C)CC1 ZINC000356368911 381843877 /nfs/dbraw/zinc/84/38/77/381843877.db2.gz PSUNCTAJVSKCQI-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000343677196 381884053 /nfs/dbraw/zinc/88/40/53/381884053.db2.gz CRGKBBWFTBFXHH-LZWOXQAQSA-N 2 0 282.472 2.636 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000356605725 381856925 /nfs/dbraw/zinc/85/69/25/381856925.db2.gz HFHYYLWFFDXXRZ-QLFBSQMISA-N 2 0 297.487 2.532 20 0 CFADRP CCCC[C@H](CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349317689 381886769 /nfs/dbraw/zinc/88/67/69/381886769.db2.gz ANUMIEWQPOTWBO-CVEARBPZSA-N 2 0 269.477 2.571 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1sc(C)nc1C ZINC000349417740 381931332 /nfs/dbraw/zinc/93/13/32/381931332.db2.gz MUBXILLEDIAAMA-UHFFFAOYSA-N 2 0 269.458 2.924 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)C[NH+]1CCCC1 ZINC000372999027 381908171 /nfs/dbraw/zinc/90/81/71/381908171.db2.gz JAKHZAADJSRTCG-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000356936081 381913366 /nfs/dbraw/zinc/91/33/66/381913366.db2.gz ZSXZPTOPVVBXRS-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000186601676 381961643 /nfs/dbraw/zinc/96/16/43/381961643.db2.gz UJHHESHMJNDVGM-JKIFEVAISA-N 2 0 290.451 2.732 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccs1 ZINC000186567646 381950764 /nfs/dbraw/zinc/95/07/64/381950764.db2.gz UFCSOLIKVCWBBT-LSDHHAIUSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000349974362 382001838 /nfs/dbraw/zinc/00/18/38/382001838.db2.gz WTDDNEYSZPRTAW-KBAYOESNSA-N 2 0 294.483 2.855 20 0 CFADRP [NH3+]CCOCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000357085536 382003385 /nfs/dbraw/zinc/00/33/85/382003385.db2.gz KUWGEUDYLFMCBK-UHFFFAOYSA-N 2 0 294.414 2.588 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000186772818 382009305 /nfs/dbraw/zinc/00/93/05/382009305.db2.gz BUJWXFBAVSJRRI-WZRBSPASSA-N 2 0 267.442 2.627 20 0 CFADRP CCC[N@H+](CCOCC[NH3+])[C@H](CC)c1ccccc1 ZINC000357110377 382012191 /nfs/dbraw/zinc/01/21/91/382012191.db2.gz XEUYJUBSDOMITG-MRXNPFEDSA-N 2 0 264.413 2.825 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC000293069634 381976606 /nfs/dbraw/zinc/97/66/06/381976606.db2.gz VHKZKMXUIBICRQ-MRXNPFEDSA-N 2 0 262.372 2.743 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357042506 381984077 /nfs/dbraw/zinc/98/40/77/381984077.db2.gz DYPPFUNKSOBGKP-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357041718 381984399 /nfs/dbraw/zinc/98/43/99/381984399.db2.gz DASNLQLCIBLJFU-HNNXBMFYSA-N 2 0 276.399 2.956 20 0 CFADRP COc1ccsc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357043585 381984494 /nfs/dbraw/zinc/98/44/94/381984494.db2.gz GPSHQGABCHQESE-ZDUSSCGKSA-N 2 0 280.437 2.578 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343981797 382048807 /nfs/dbraw/zinc/04/88/07/382048807.db2.gz MLAUWJTWBHPYAK-DLBZAZTESA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H](C[N@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000344017958 382070031 /nfs/dbraw/zinc/07/00/31/382070031.db2.gz FDKYHHJUZPEXEM-KRWDZBQOSA-N 2 0 291.483 2.605 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000375011529 382065456 /nfs/dbraw/zinc/06/54/56/382065456.db2.gz GRODQCGFHVANOQ-QGZVFWFLSA-N 2 0 295.515 2.913 20 0 CFADRP C1CC2(C1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@H]1CCO[C@H]12 ZINC000373524444 382018754 /nfs/dbraw/zinc/01/87/54/382018754.db2.gz SIHLNEVUOVNAFA-SWHNLWLKSA-N 2 0 290.451 2.551 20 0 CFADRP C[C@@H](CCC1CC1)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343937725 382029015 /nfs/dbraw/zinc/02/90/15/382029015.db2.gz QBDSJKUFIVHRBU-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ncccc2C)C[C@@H]1C ZINC000357332149 382114739 /nfs/dbraw/zinc/11/47/39/382114739.db2.gz LFHVGEYHCHKAAH-LSDHHAIUSA-N 2 0 261.413 2.695 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)N(C)C1CC1 ZINC000187168406 382118514 /nfs/dbraw/zinc/11/85/14/382118514.db2.gz IIPJTVILAAZVBK-RYUDHWBXSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375243465 382073592 /nfs/dbraw/zinc/07/35/92/382073592.db2.gz YGIWDHFSFSBZQZ-OAHLLOKOSA-N 2 0 291.439 2.863 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351937516 382077451 /nfs/dbraw/zinc/07/74/51/382077451.db2.gz OJEAKEQXMPICTQ-INIZCTEOSA-N 2 0 296.455 2.528 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1COC(C)(C)C1 ZINC000417862491 382087276 /nfs/dbraw/zinc/08/72/76/382087276.db2.gz CPDSYLOBGWJSGL-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP COC[C@H](C)[NH2+][C@H]1C[C@H](C2CC2)N(Cc2ccccc2)C1 ZINC000376834043 382182554 /nfs/dbraw/zinc/18/25/54/382182554.db2.gz LQJPRDZAWJAELJ-JCGIZDLHSA-N 2 0 288.435 2.664 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293576461 382183323 /nfs/dbraw/zinc/18/33/23/382183323.db2.gz DROHJXDDHHNIKH-CJNGLKHVSA-N 2 0 292.423 2.854 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000344114427 382137283 /nfs/dbraw/zinc/13/72/83/382137283.db2.gz VUHNBFVWCLYIFC-NRSFXHEJSA-N 2 0 288.435 2.979 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@@H](C)C1 ZINC000344115120 382137854 /nfs/dbraw/zinc/13/78/54/382137854.db2.gz QODWNYXZHMYTAI-LLLHUVSDSA-N 2 0 280.456 2.512 20 0 CFADRP C1C[NH+]2CC3(C1)CCC[N@H+](C3)CC1CCC(CC1)C2 ZINC000352029618 382139594 /nfs/dbraw/zinc/13/95/94/382139594.db2.gz WBQZROUSKZNQPM-UHFFFAOYSA-N 2 0 262.441 2.984 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000352040136 382145506 /nfs/dbraw/zinc/14/55/06/382145506.db2.gz MJYIBTIQRMQKTI-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000344128956 382147780 /nfs/dbraw/zinc/14/77/80/382147780.db2.gz JVORGDNKGHCLPH-WLGNDBIMSA-N 2 0 280.456 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000352067850 382157313 /nfs/dbraw/zinc/15/73/13/382157313.db2.gz FQBSZUOSSCLMGL-WCXIOVBPSA-N 2 0 282.472 2.758 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000187384728 382169144 /nfs/dbraw/zinc/16/91/44/382169144.db2.gz OAJFKSCITSCDFZ-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000293679519 382230019 /nfs/dbraw/zinc/23/00/19/382230019.db2.gz KGWVVCWUJOAKDY-QGZVFWFLSA-N 2 0 288.435 2.592 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCO1 ZINC000680338957 542306860 /nfs/dbraw/zinc/30/68/60/542306860.db2.gz MLVIWJDJKUKXOD-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000187671479 382241205 /nfs/dbraw/zinc/24/12/05/382241205.db2.gz VITFUXQBIKYNPF-DZGCQCFKSA-N 2 0 278.444 2.946 20 0 CFADRP COc1cccc2c(N3CC[NH+](CC4CC4)CC3)ccnc12 ZINC000302405473 382246037 /nfs/dbraw/zinc/24/60/37/382246037.db2.gz FVUFEVZOXFCILL-UHFFFAOYSA-N 2 0 297.402 2.775 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(C)C)OC)C[C@@H]1C ZINC000419215127 382246912 /nfs/dbraw/zinc/24/69/12/382246912.db2.gz LKLXIUSADJFDGV-JYJNAYRXSA-N 2 0 270.461 2.852 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000419224606 382251779 /nfs/dbraw/zinc/25/17/79/382251779.db2.gz ZPPPCWBFVXVNRP-SJORKVTESA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H](C[NH2+][C@H](C)Cc1ccccc1F)C[NH+](C)C ZINC000293749616 382262745 /nfs/dbraw/zinc/26/27/45/382262745.db2.gz RGIQVHVLHHGGNV-CHWSQXEVSA-N 2 0 252.377 2.544 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000420291787 382344355 /nfs/dbraw/zinc/34/43/55/382344355.db2.gz KUZAZONETVULOH-SNVBAGLBSA-N 2 0 265.426 2.580 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420294608 382345256 /nfs/dbraw/zinc/34/52/56/382345256.db2.gz BKCVULJWGAUUKY-KBAYOESNSA-N 2 0 272.436 2.939 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]1C(C)C ZINC000346174559 382333307 /nfs/dbraw/zinc/33/33/07/382333307.db2.gz KZEPWSQLYOWMHY-INIZCTEOSA-N 2 0 270.380 2.806 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@@](C)(O)c2ccccc2)CC1 ZINC000187908151 382293614 /nfs/dbraw/zinc/29/36/14/382293614.db2.gz WCVBZQVHNZEHSD-GOSISDBHSA-N 2 0 290.451 2.747 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420299269 382349923 /nfs/dbraw/zinc/34/99/23/382349923.db2.gz IPDJALVDEQQHHB-INMHGKMJSA-N 2 0 258.409 2.864 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@@H]12 ZINC000420298965 382349939 /nfs/dbraw/zinc/34/99/39/382349939.db2.gz ANKZAFDMBPKZHE-IXPVHAAZSA-N 2 0 298.789 2.527 20 0 CFADRP Fc1cccc(C[C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420298386 382350181 /nfs/dbraw/zinc/35/01/81/382350181.db2.gz FCPFCQBJIUGSSE-RHSMWYFYSA-N 2 0 276.399 2.832 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]21 ZINC000420301941 382352210 /nfs/dbraw/zinc/35/22/10/382352210.db2.gz FMETVZSYSLUMPM-GRYCIOLGSA-N 2 0 264.335 2.778 20 0 CFADRP Fc1ccc(C[C@@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420300748 382352232 /nfs/dbraw/zinc/35/22/32/382352232.db2.gz KLCPOBVBRNVLAM-CVEARBPZSA-N 2 0 276.399 2.690 20 0 CFADRP CC[C@H](C)C[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301536 382352314 /nfs/dbraw/zinc/35/23/14/382352314.db2.gz LKSGEVLOWKKSKF-ZFWWWQNUSA-N 2 0 264.413 2.715 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420301477 382352436 /nfs/dbraw/zinc/35/24/36/382352436.db2.gz FATFWLHQGBRCMU-CFVMTHIKSA-N 2 0 276.449 2.968 20 0 CFADRP COC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1CCCC1 ZINC000357859220 382353353 /nfs/dbraw/zinc/35/33/53/382353353.db2.gz WARNUNQHFMOKAS-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC2CCCC2)cc1 ZINC000420303403 382353466 /nfs/dbraw/zinc/35/34/66/382353466.db2.gz NHJAMDSMTAINTE-MRXNPFEDSA-N 2 0 276.424 2.860 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420303371 382354016 /nfs/dbraw/zinc/35/40/16/382354016.db2.gz NDMWYPRKDFAGQR-GOEBONIOSA-N 2 0 274.408 2.832 20 0 CFADRP CC1CCN(C(=[NH2+])NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000303254858 382354709 /nfs/dbraw/zinc/35/47/09/382354709.db2.gz FIGACJVUYAPSQP-UHFFFAOYSA-N 2 0 294.487 2.897 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1 ZINC000420305627 382356599 /nfs/dbraw/zinc/35/65/99/382356599.db2.gz PRAANJHRWPYKEM-VNHYZAJKSA-N 2 0 294.464 2.563 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)CCSC)cc1 ZINC000420307593 382357924 /nfs/dbraw/zinc/35/79/24/382357924.db2.gz RMOMFYHADWHYPJ-HIFRSBDPSA-N 2 0 296.480 2.811 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000420311735 382360490 /nfs/dbraw/zinc/36/04/90/382360490.db2.gz HPSIPGKXUSVIPQ-AWEZNQCLSA-N 2 0 252.427 2.884 20 0 CFADRP c1csc([C@@H]2CCCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420316832 382364955 /nfs/dbraw/zinc/36/49/55/382364955.db2.gz MKJZAUJCSBEMBU-OLZOCXBDSA-N 2 0 265.426 2.670 20 0 CFADRP [NH3+]CCC[N@H+](CCCc1ccncc1)CC1CCCC1 ZINC000420319641 382366655 /nfs/dbraw/zinc/36/66/55/382366655.db2.gz RVAGJUIOZSLRRX-UHFFFAOYSA-N 2 0 275.440 2.855 20 0 CFADRP Cc1nc2c(s1)[C@H]([N@H+](C)CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000420319104 382367158 /nfs/dbraw/zinc/36/71/58/382367158.db2.gz OWPMSUHLKDEJLO-GXTWGEPZSA-N 2 0 279.453 2.760 20 0 CFADRP Cc1nc(C)c([C@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420323390 382369272 /nfs/dbraw/zinc/36/92/72/382369272.db2.gz UGUKLCFHXQJDRS-WCQYABFASA-N 2 0 267.442 2.752 20 0 CFADRP CCC[N@H+](CCN1CC[NH2+]CC1)[C@@H](CC)c1ccccc1 ZINC000420325678 382370442 /nfs/dbraw/zinc/37/04/42/382370442.db2.gz WOYJADGSUIMKCU-SFHVURJKSA-N 2 0 289.467 2.755 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000346458201 382371583 /nfs/dbraw/zinc/37/15/83/382371583.db2.gz LKFXVXTWYPHZNL-MAUKXSAKSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420333352 382372807 /nfs/dbraw/zinc/37/28/07/382372807.db2.gz KIXNMPMJHXIHBS-MCIONIFRSA-N 2 0 291.439 2.965 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420329510 382374127 /nfs/dbraw/zinc/37/41/27/382374127.db2.gz OLKMNQLTZQJHNG-GJZGRUSLSA-N 2 0 292.398 2.526 20 0 CFADRP Fc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339047 382375848 /nfs/dbraw/zinc/37/58/48/382375848.db2.gz LPIRWUXYGIFUEL-LSDHHAIUSA-N 2 0 292.398 2.526 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345466 382376616 /nfs/dbraw/zinc/37/66/16/382376616.db2.gz VMRQTIIRQMNULO-NCOADZHNSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]C[C@H]1CN(Cc2cccc(-c3ccccc3)c2)CCO1 ZINC000357925690 382377388 /nfs/dbraw/zinc/37/73/88/382377388.db2.gz CDXNJWSFODPUNY-SFHVURJKSA-N 2 0 282.387 2.513 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000420362460 382383676 /nfs/dbraw/zinc/38/36/76/382383676.db2.gz ARUONQUEIBYCOF-CJNGLKHVSA-N 2 0 262.397 2.736 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000420365001 382385324 /nfs/dbraw/zinc/38/53/24/382385324.db2.gz RRHGJTMRMCZPTL-CQSZACIVSA-N 2 0 286.423 2.660 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420364007 382385856 /nfs/dbraw/zinc/38/58/56/382385856.db2.gz CIPFFYBTHQCMEY-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420365685 382387969 /nfs/dbraw/zinc/38/79/69/382387969.db2.gz FDYCKUAPJCNNDO-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP CC(C)=CC[NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000365407196 382389310 /nfs/dbraw/zinc/38/93/10/382389310.db2.gz VACYSZXJEJRURI-UHFFFAOYSA-N 2 0 293.499 2.883 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1OC(F)F ZINC000420374687 382392839 /nfs/dbraw/zinc/39/28/39/382392839.db2.gz OJLBTFWEQWBQHQ-YPMHNXCESA-N 2 0 284.350 2.938 20 0 CFADRP CCc1ccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420379864 382395250 /nfs/dbraw/zinc/39/52/50/382395250.db2.gz VYHKVQGXBLGBFC-SJLPKXTDSA-N 2 0 288.435 2.622 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000352632125 382425382 /nfs/dbraw/zinc/42/53/82/382425382.db2.gz YMJUDFDLDYAYIU-BRWVUGGUSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c(C)n1 ZINC000365633406 382427227 /nfs/dbraw/zinc/42/72/27/382427227.db2.gz VTONCYFYONKCOM-INIZCTEOSA-N 2 0 284.407 2.812 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305179332 382431990 /nfs/dbraw/zinc/43/19/90/382431990.db2.gz VYWORYQGCHZRDT-PMPSAXMXSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000346610856 382436735 /nfs/dbraw/zinc/43/67/35/382436735.db2.gz RNMNSFRJCCJOFH-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000346629495 382443842 /nfs/dbraw/zinc/44/38/42/382443842.db2.gz AZWSVQZQHFNACF-AAEUAGOBSA-N 2 0 279.453 2.970 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2cnc(C3CCCC3)s2)C1 ZINC000346629503 382444228 /nfs/dbraw/zinc/44/42/28/382444228.db2.gz AZWSVQZQHFNACF-YPMHNXCESA-N 2 0 279.453 2.970 20 0 CFADRP COC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000420404217 382399926 /nfs/dbraw/zinc/39/99/26/382399926.db2.gz LYPFFXXERLUQFV-INIZCTEOSA-N 2 0 298.377 2.632 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420403745 382400276 /nfs/dbraw/zinc/40/02/76/382400276.db2.gz RNKGWCBMSVYBPE-WMZOPIPTSA-N 2 0 288.435 2.920 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000420405400 382400394 /nfs/dbraw/zinc/40/03/94/382400394.db2.gz MUENFMAGBMMACC-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)c1ccccc1 ZINC000420419763 382403001 /nfs/dbraw/zinc/40/30/01/382403001.db2.gz XQIZVCDNOYNGFE-VXGBXAGGSA-N 2 0 288.395 2.545 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365512512 382405928 /nfs/dbraw/zinc/40/59/28/382405928.db2.gz LSEJPINIKVZDIS-BNOWGMLFSA-N 2 0 296.361 2.842 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000358014133 382409272 /nfs/dbraw/zinc/40/92/72/382409272.db2.gz JXBXIRIWMSBWSQ-JFIYKMOQSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000352608605 382414472 /nfs/dbraw/zinc/41/44/72/382414472.db2.gz NMCRHQVZORMTHU-CBZIJGRNSA-N 2 0 292.467 2.750 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346563791 382415409 /nfs/dbraw/zinc/41/54/09/382415409.db2.gz RGWPYLKMERNZHI-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCCO1 ZINC000358023824 382416213 /nfs/dbraw/zinc/41/62/13/382416213.db2.gz XXVHXUAEKZZGRR-KRWDZBQOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000352612654 382417413 /nfs/dbraw/zinc/41/74/13/382417413.db2.gz QCWIJMYWEHNDNZ-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP CCC[N@H+](C[C@H]1CCC(F)(F)C1)C1CC[NH2+]CC1 ZINC000305976784 382451601 /nfs/dbraw/zinc/45/16/01/382451601.db2.gz KJXVQNJCBBIEAX-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000346641822 382452064 /nfs/dbraw/zinc/45/20/64/382452064.db2.gz OTDMZUXOLMNPDR-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000358121189 382459750 /nfs/dbraw/zinc/45/97/50/382459750.db2.gz DXKFDTQXQWUYPU-SWLSCSKDSA-N 2 0 298.377 2.760 20 0 CFADRP CCC1(C[NH+]2CCC(CC[NH2+]C)CC2)CCOCC1 ZINC000346660620 382459842 /nfs/dbraw/zinc/45/98/42/382459842.db2.gz VQKSJHWENOCUIL-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1ccc(-c2ncc(C[NH+]3CCC(C[NH3+])CC3)s2)o1 ZINC000346678367 382468050 /nfs/dbraw/zinc/46/80/50/382468050.db2.gz YOLJFYMGNDGOIJ-UHFFFAOYSA-N 2 0 291.420 2.882 20 0 CFADRP CCCOc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000346693917 382478480 /nfs/dbraw/zinc/47/84/80/382478480.db2.gz QOKJXKAPGOGROC-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)C[C@@H]1O ZINC000378527099 382479610 /nfs/dbraw/zinc/47/96/10/382479610.db2.gz CBLYDGHQOTWLAU-SJORKVTESA-N 2 0 294.483 2.780 20 0 CFADRP CCCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346695194 382479692 /nfs/dbraw/zinc/47/96/92/382479692.db2.gz YUGZAOXZSIUOJC-UHFFFAOYSA-N 2 0 294.439 2.901 20 0 CFADRP Cc1cn2c(n1)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)CCC2 ZINC000366236920 382488967 /nfs/dbraw/zinc/48/89/67/382488967.db2.gz WHBDOFHYJQNCKQ-HNNXBMFYSA-N 2 0 290.455 2.531 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC000358242600 382523823 /nfs/dbraw/zinc/52/38/23/382523823.db2.gz VYARSMWRXBWUPV-FZKCQIBNSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000314118881 382524963 /nfs/dbraw/zinc/52/49/63/382524963.db2.gz AVPQSQLKYOKKAJ-MRXNPFEDSA-N 2 0 292.471 2.760 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000070087194 412965648 /nfs/dbraw/zinc/96/56/48/412965648.db2.gz SRFAWMQMMJVRTA-UHFFFAOYSA-N 2 0 291.439 2.984 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000311137111 382501403 /nfs/dbraw/zinc/50/14/03/382501403.db2.gz BLVNZWZTTFEZID-MELADBBJSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000311408417 382504577 /nfs/dbraw/zinc/50/45/77/382504577.db2.gz XVJAPKWDSHDHFE-ZBFHGGJFSA-N 2 0 268.445 2.500 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379651743 382506895 /nfs/dbraw/zinc/50/68/95/382506895.db2.gz VJIDULUGBIHMQN-SJLPKXTDSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CCC[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379633364 382507384 /nfs/dbraw/zinc/50/73/84/382507384.db2.gz OQCDOXZDSRSMGD-JKSUJKDBSA-N 3 0 277.456 2.614 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346818512 382528362 /nfs/dbraw/zinc/52/83/62/382528362.db2.gz GORTYCGACOMNBM-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000379751399 382508911 /nfs/dbraw/zinc/50/89/11/382508911.db2.gz MUOVEMOQEPEYCU-CYBMUJFWSA-N 2 0 252.427 2.876 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000379743821 382509888 /nfs/dbraw/zinc/50/98/88/382509888.db2.gz XVENTSXVPTZRSD-ZDUSSCGKSA-N 2 0 256.459 2.592 20 0 CFADRP c1c2ccccc2oc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380744745 382516193 /nfs/dbraw/zinc/51/61/93/382516193.db2.gz MRFHSBZIWSMSPB-GASCZTMLSA-N 2 0 270.376 2.864 20 0 CFADRP Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000366483258 382516900 /nfs/dbraw/zinc/51/69/00/382516900.db2.gz PYDKYRUSAXQKPC-IACUBPJLSA-N 2 0 293.480 2.944 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000358234943 382519269 /nfs/dbraw/zinc/51/92/69/382519269.db2.gz HGJOZLXROHIHCA-GXTWGEPZSA-N 2 0 295.496 2.913 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccn1 ZINC000353388404 382541613 /nfs/dbraw/zinc/54/16/13/382541613.db2.gz RHRCWYBEXYVTEM-ZNMIVQPWSA-N 2 0 291.464 2.766 20 0 CFADRP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346845815 382542394 /nfs/dbraw/zinc/54/23/94/382542394.db2.gz BGPGADYVQHXFJP-UBHSHLNASA-N 2 0 293.480 3.000 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346847554 382543049 /nfs/dbraw/zinc/54/30/49/382543049.db2.gz CWTMOOICKCAXOC-CGTJXYLNSA-N 2 0 288.435 2.891 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000383474874 382544470 /nfs/dbraw/zinc/54/44/70/382544470.db2.gz CYKDMPLOUWPMNY-FRRDWIJNSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346856385 382547600 /nfs/dbraw/zinc/54/76/00/382547600.db2.gz VWTSJWDZMWSERT-RBGFHDKUSA-N 2 0 250.430 2.872 20 0 CFADRP CC[C@@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@H]1CC ZINC000353474201 382549939 /nfs/dbraw/zinc/54/99/39/382549939.db2.gz HKHNSLCWKLYDPN-HZPDHXFCSA-N 2 0 282.472 2.876 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000346870186 382553104 /nfs/dbraw/zinc/55/31/04/382553104.db2.gz KYWYFSPDQRRZCU-HIFRSBDPSA-N 2 0 279.403 2.558 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000189148451 382553973 /nfs/dbraw/zinc/55/39/73/382553973.db2.gz VPTUWXRWENCGPB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000385785663 382576533 /nfs/dbraw/zinc/57/65/33/382576533.db2.gz MQKGMLVZJQPIFD-KRWDZBQOSA-N 2 0 298.434 2.692 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353494802 382554319 /nfs/dbraw/zinc/55/43/19/382554319.db2.gz FLXYJCUXLZWOIV-TVFCKZIOSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384516672 382554758 /nfs/dbraw/zinc/55/47/58/382554758.db2.gz AHTOVTXAUQDGAJ-LMSBXDPUSA-N 2 0 288.435 2.664 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000358300025 382556392 /nfs/dbraw/zinc/55/63/92/382556392.db2.gz LJRJILMLVCFTBT-SUMWQHHRSA-N 2 0 274.408 2.537 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000353517281 382557329 /nfs/dbraw/zinc/55/73/29/382557329.db2.gz JUNNESUYBPYSBZ-CABCVRRESA-N 2 0 256.409 2.836 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000353563605 382559971 /nfs/dbraw/zinc/55/99/71/382559971.db2.gz UIRZJGYRJWNJDC-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP OC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000353596447 382570238 /nfs/dbraw/zinc/57/02/38/382570238.db2.gz RCFUSUUSNRNETB-WIHSUSGWSA-N 2 0 280.456 2.677 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H]2CN(C)C[C@H]2C)c(C)s1 ZINC000358334649 382573384 /nfs/dbraw/zinc/57/33/84/382573384.db2.gz ZIIUEVMZTGDNDF-PUYPPJJSSA-N 2 0 252.427 2.966 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@H](C)C2)CC[NH+](C)CC1 ZINC000353226614 382530109 /nfs/dbraw/zinc/53/01/09/382530109.db2.gz ZEUWPYVZLISZJO-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000366618813 382532758 /nfs/dbraw/zinc/53/27/58/382532758.db2.gz KUTFNDYHLRPOIQ-FGTMMUONSA-N 2 0 290.451 2.676 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC12CCCC2 ZINC000353275562 382533161 /nfs/dbraw/zinc/53/31/61/382533161.db2.gz UKQKOHMOCYHJNI-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCF)CN1Cc1ccccc1 ZINC000366634313 382535903 /nfs/dbraw/zinc/53/59/03/382535903.db2.gz NPAYHOPXCBYBFN-AWEZNQCLSA-N 2 0 250.361 2.599 20 0 CFADRP CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000294874339 382536966 /nfs/dbraw/zinc/53/69/66/382536966.db2.gz FIGVRSWTEBKOKR-MRXNPFEDSA-N 2 0 283.375 2.992 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C[C@@H]21 ZINC000346840305 382537983 /nfs/dbraw/zinc/53/79/83/382537983.db2.gz TYYOBRUNGYFVMS-HYVNUMGLSA-N 2 0 296.418 2.636 20 0 CFADRP C([C@@H]1CCC[NH2+]C1)N1CCSC2(CCCCC2)C1 ZINC000346963580 382587508 /nfs/dbraw/zinc/58/75/08/382587508.db2.gz BLEJFGCLQGYMNK-CQSZACIVSA-N 2 0 268.470 2.738 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nccs2)[C@H]2CCC[C@@H]21 ZINC000353635039 382589163 /nfs/dbraw/zinc/58/91/63/382589163.db2.gz XVYMVYBVTJFTTL-RDBSUJKOSA-N 2 0 279.453 2.538 20 0 CFADRP CCC[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000386502413 382590058 /nfs/dbraw/zinc/59/00/58/382590058.db2.gz VWUSEAQWLBCSMU-CQSZACIVSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)CCCC2CCOCC2)CCN1C ZINC000346967034 382590653 /nfs/dbraw/zinc/59/06/53/382590653.db2.gz IULRXDHLTSHPQD-GOEBONIOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)CCCC2CCOCC2)CCN1C ZINC000346967049 382590766 /nfs/dbraw/zinc/59/07/66/382590766.db2.gz IULRXDHLTSHPQD-HOCLYGCPSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353642132 382591013 /nfs/dbraw/zinc/59/10/13/382591013.db2.gz GNZJAXPADVJVHM-IUDNXUCKSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000358369264 382591852 /nfs/dbraw/zinc/59/18/52/382591852.db2.gz PSKXGPCYPLFGLV-KBXCAEBGSA-N 2 0 298.434 2.517 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358376970 382593949 /nfs/dbraw/zinc/59/39/49/382593949.db2.gz JDWPHFVSCIDFML-QZWWFDLISA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)CSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358380691 382595161 /nfs/dbraw/zinc/59/51/61/382595161.db2.gz LODUPAZSVKPRBB-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H](c1cccc2ccccc21)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397132108 382632996 /nfs/dbraw/zinc/63/29/96/382632996.db2.gz ZJYIHXGIBFBVRU-AWEZNQCLSA-N 2 0 284.403 2.686 20 0 CFADRP Cn1c(C[NH2+]C(C)(C)CCC[NH+](C)C)nc2ccccc21 ZINC000387290800 382596959 /nfs/dbraw/zinc/59/69/59/382596959.db2.gz IDHDCHSANHUKTQ-UHFFFAOYSA-N 2 0 288.439 2.783 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000387341660 382597851 /nfs/dbraw/zinc/59/78/51/382597851.db2.gz QHFCWPOIIXUJSR-UHFFFAOYSA-N 2 0 268.376 2.741 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CC)CC2)[C@@H](C)C1 ZINC000358397863 382599853 /nfs/dbraw/zinc/59/98/53/382599853.db2.gz ISNBTRGLUPPFMA-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000388812444 382609546 /nfs/dbraw/zinc/60/95/46/382609546.db2.gz APPYSRBEDGEDIK-MPTQWLOMSA-N 2 0 260.381 2.536 20 0 CFADRP CC(C)OC1CC([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000189533474 382621402 /nfs/dbraw/zinc/62/14/02/382621402.db2.gz FSJXNFXNVVEKBT-FHERZECASA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367638663 382579405 /nfs/dbraw/zinc/57/94/05/382579405.db2.gz POMSNYUQIMKVJQ-KURKYZTESA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC2CCOCC2)C[C@H]1C ZINC000346949487 382582613 /nfs/dbraw/zinc/58/26/13/382582613.db2.gz GMHAFXZMBVSZRS-WBVHZDCISA-N 2 0 282.472 2.998 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC[NH+](C)CC1 ZINC000353622743 382583542 /nfs/dbraw/zinc/58/35/42/382583542.db2.gz NIBRNZUMINIWFC-RRFJBIMHSA-N 2 0 282.497 2.982 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000190632208 382675646 /nfs/dbraw/zinc/67/56/46/382675646.db2.gz ZNHAHANUNMDOHC-KRWDZBQOSA-N 2 0 282.472 2.734 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccsc1 ZINC000191188574 382695060 /nfs/dbraw/zinc/69/50/60/382695060.db2.gz VNKPRPNXFUYMPM-MRXNPFEDSA-N 2 0 295.496 2.816 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCCN2C)cnn1C(C)(C)C ZINC000191212377 382695836 /nfs/dbraw/zinc/69/58/36/382695836.db2.gz ZKSQKONEYSEBRJ-GXTWGEPZSA-N 2 0 278.444 2.691 20 0 CFADRP C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000191258671 382697199 /nfs/dbraw/zinc/69/71/99/382697199.db2.gz JMLYPLLUVGBVHA-VMZNBEPHSA-N 2 0 285.391 2.606 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cocn3)CC2)CC1 ZINC000192336042 382707343 /nfs/dbraw/zinc/70/73/43/382707343.db2.gz DVFFMFAAAIDUEJ-UHFFFAOYSA-N 2 0 277.412 2.807 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000192513832 382709650 /nfs/dbraw/zinc/70/96/50/382709650.db2.gz BLCMJTHHMNQTOV-CHWSQXEVSA-N 2 0 273.380 2.510 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H]2CCOC[C@@H]2C)N(C)C)cc1 ZINC000192517402 382709691 /nfs/dbraw/zinc/70/96/91/382709691.db2.gz JXXXYQQNKCGXSR-XIRDDKMYSA-N 2 0 276.424 2.612 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)N(C)Cc1ccccc1 ZINC000192575274 382710215 /nfs/dbraw/zinc/71/02/15/382710215.db2.gz IGVYLYBJOYMLGT-BFYDXBDKSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000192624545 382710738 /nfs/dbraw/zinc/71/07/38/382710738.db2.gz BTTDDFFFRXFAHB-GOOCMWNKSA-N 2 0 262.372 2.849 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000192732347 382711638 /nfs/dbraw/zinc/71/16/38/382711638.db2.gz ZDBVDPWVOYOFKT-GOSISDBHSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000193133731 382716186 /nfs/dbraw/zinc/71/61/86/382716186.db2.gz PXRLNHKBVQZRPF-BZUAXINKSA-N 2 0 282.472 2.638 20 0 CFADRP CCO[C@@H](C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000193426259 382719720 /nfs/dbraw/zinc/71/97/20/382719720.db2.gz LKHYNFMZFFXLDT-LESCRADOSA-N 2 0 288.435 2.979 20 0 CFADRP CSC1(C[NH2+]Cc2cnc3ccc(C)cn23)CC1 ZINC000193662878 382722183 /nfs/dbraw/zinc/72/21/83/382722183.db2.gz VNJUDPIXNDCDPX-UHFFFAOYSA-N 2 0 261.394 2.628 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000575002555 382723282 /nfs/dbraw/zinc/72/32/82/382723282.db2.gz OSGJTNHMDGTCLD-KOZAUXTDSA-N 2 0 296.361 2.654 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000575038293 382724227 /nfs/dbraw/zinc/72/42/27/382724227.db2.gz LUKHDXTWARKPCO-INIZCTEOSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1ccc2ccnc(N(C)Cc3nccn3C)c2c1 ZINC000575119141 382727554 /nfs/dbraw/zinc/72/75/54/382727554.db2.gz FETFZTRUUWKVQG-UHFFFAOYSA-N 2 0 266.348 2.913 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000336842345 382732028 /nfs/dbraw/zinc/73/20/28/382732028.db2.gz UKYCJTGNDCGOIY-OLZOCXBDSA-N 2 0 294.361 2.559 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000336845933 382733623 /nfs/dbraw/zinc/73/36/23/382733623.db2.gz GWBKILMAFMFPAM-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195114694 382761971 /nfs/dbraw/zinc/76/19/71/382761971.db2.gz AITJNXXWGRZPKO-MPTYRVRUSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+][C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000219522941 382794094 /nfs/dbraw/zinc/79/40/94/382794094.db2.gz JTORRSVTUSYAKI-LLVKDONJSA-N 2 0 274.286 2.508 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000211116798 382774728 /nfs/dbraw/zinc/77/47/28/382774728.db2.gz KSHXDTRRDPYWDQ-INIZCTEOSA-N 2 0 278.827 2.739 20 0 CFADRP CCCCCN(Cc1noc(CN)n1)[C@@H](C)CCC ZINC000337070928 382757537 /nfs/dbraw/zinc/75/75/37/382757537.db2.gz NASNGXITZBGJSC-LBPRGKRZSA-N 2 0 268.405 2.709 20 0 CFADRP CCCCCN(Cc1noc(CN)n1)[C@H](C)CCC ZINC000337070927 382757592 /nfs/dbraw/zinc/75/75/92/382757592.db2.gz NASNGXITZBGJSC-GFCCVEGCSA-N 2 0 268.405 2.709 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)s1 ZINC000219310789 382793186 /nfs/dbraw/zinc/79/31/86/382793186.db2.gz BNQPLCSHUFETNG-LBPRGKRZSA-N 2 0 270.442 2.539 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228474410 382846887 /nfs/dbraw/zinc/84/68/87/382846887.db2.gz YWQFUOYGVDBYOJ-NUEKZKHPSA-N 2 0 276.449 2.968 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000220337936 382795910 /nfs/dbraw/zinc/79/59/10/382795910.db2.gz TUMYAZHODDIPCB-NWDGAFQWSA-N 2 0 252.789 2.818 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000575794188 382799408 /nfs/dbraw/zinc/79/94/08/382799408.db2.gz QSPFXBKODXSIGY-MAZHCROVSA-N 2 0 274.408 2.660 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000221919737 382800443 /nfs/dbraw/zinc/80/04/43/382800443.db2.gz XSQAYYXRAJOGHH-UHFFFAOYSA-N 2 0 289.467 2.975 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000337323759 382801423 /nfs/dbraw/zinc/80/14/23/382801423.db2.gz SPCXUVXPLNXHTB-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000337326740 382802354 /nfs/dbraw/zinc/80/23/54/382802354.db2.gz WMWARYQFJHODAT-KRWDZBQOSA-N 2 0 295.515 2.771 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000229057122 382850064 /nfs/dbraw/zinc/85/00/64/382850064.db2.gz MIJAMXHOISCGDA-BBRMVZONSA-N 2 0 283.419 2.960 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222950498 382803859 /nfs/dbraw/zinc/80/38/59/382803859.db2.gz FRRIHKMRDIFPIG-CYZMBNFOSA-N 2 0 266.360 2.755 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229061054 382850121 /nfs/dbraw/zinc/85/01/21/382850121.db2.gz XAWAKDNSBBAEJX-FZMZJTMJSA-N 2 0 250.361 2.551 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337364105 382810042 /nfs/dbraw/zinc/81/00/42/382810042.db2.gz AQTJQJKFFCKQMG-SQWLQELKSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000337382126 382812933 /nfs/dbraw/zinc/81/29/33/382812933.db2.gz JQAQACCAVGLFMF-BZPMIXESSA-N 2 0 272.383 2.884 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)oc1C ZINC000337403435 382816066 /nfs/dbraw/zinc/81/60/66/382816066.db2.gz QVLAVRPNMXXCIU-OAHLLOKOSA-N 2 0 293.455 2.575 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2Cc3ccccc3C2)C1 ZINC000576243906 382816346 /nfs/dbraw/zinc/81/63/46/382816346.db2.gz QCACJJYTILLJCH-OAHLLOKOSA-N 2 0 272.436 2.723 20 0 CFADRP CCC[C@@H](C)[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000577184683 382850925 /nfs/dbraw/zinc/85/09/25/382850925.db2.gz RJNPRKCIZGQZBY-UKRRQHHQSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000226314634 382826268 /nfs/dbraw/zinc/82/62/68/382826268.db2.gz WYQRXIHGHKSTRU-ZNMIVQPWSA-N 2 0 279.453 2.504 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000226331153 382826783 /nfs/dbraw/zinc/82/67/83/382826783.db2.gz SAMSLYXRBIQXTA-AVGNSLFASA-N 2 0 250.361 2.946 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576566233 382827453 /nfs/dbraw/zinc/82/74/53/382827453.db2.gz QSIXCTRONDSJKG-MGPQQGTHSA-N 2 0 280.387 2.571 20 0 CFADRP CC[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000337480765 382828336 /nfs/dbraw/zinc/82/83/36/382828336.db2.gz VQXOWYHSKBMGCF-BHYGNILZSA-N 2 0 258.409 2.849 20 0 CFADRP COc1ccccc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435547 382828956 /nfs/dbraw/zinc/82/89/56/382828956.db2.gz TUCLDHXQVRIHFB-CQSZACIVSA-N 2 0 274.408 2.659 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000576694687 382832461 /nfs/dbraw/zinc/83/24/61/382832461.db2.gz LGVPDBKJMRYGDS-LBPRGKRZSA-N 2 0 297.830 2.646 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000227139959 382834376 /nfs/dbraw/zinc/83/43/76/382834376.db2.gz ATKSXQHQMZNBPT-XHSDSOJGSA-N 2 0 291.439 2.524 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3NCC4)CC[C@H]21 ZINC000227295384 382835191 /nfs/dbraw/zinc/83/51/91/382835191.db2.gz XVVXKPYRMHFDNI-DOTOQJQBSA-N 2 0 285.435 2.571 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000227327431 382835719 /nfs/dbraw/zinc/83/57/19/382835719.db2.gz USVYCKFLAHNFSK-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000576779807 382836190 /nfs/dbraw/zinc/83/61/90/382836190.db2.gz YBZLFGBHULBWNL-PNESKVBLSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000337551523 382840760 /nfs/dbraw/zinc/84/07/60/382840760.db2.gz OVCXTDNJNMWPFV-XJKSGUPXSA-N 2 0 271.408 2.640 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000576992081 382843979 /nfs/dbraw/zinc/84/39/79/382843979.db2.gz DZSAFLXSACCZIL-IRXDYDNUSA-N 2 0 260.425 2.939 20 0 CFADRP Cc1nc(C[NH2+]C[C@H](c2cccc(F)c2)N(C)C)[nH]c1C ZINC000577231804 382852448 /nfs/dbraw/zinc/85/24/48/382852448.db2.gz QXRIZZIASALKHE-OAHLLOKOSA-N 2 0 290.386 2.558 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Cc1cccs1 ZINC000577231992 382852487 /nfs/dbraw/zinc/85/24/87/382852487.db2.gz TZTOGCWZPURVDB-AVGNSLFASA-N 2 0 252.427 2.786 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493925693 382906874 /nfs/dbraw/zinc/90/68/74/382906874.db2.gz MGHUKEFQNOWUBP-GVDBMIGSSA-N 2 0 288.435 2.843 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414793254 532961569 /nfs/dbraw/zinc/96/15/69/532961569.db2.gz KAECGXUBPZKCKD-JSGCOSHPSA-N 2 0 250.411 2.626 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441348692 382908938 /nfs/dbraw/zinc/90/89/38/382908938.db2.gz CTOJLFIFVVTHTL-IAGOWNOFSA-N 2 0 293.499 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]21 ZINC000230046734 382855053 /nfs/dbraw/zinc/85/50/53/382855053.db2.gz ORLSNLCZEKWITF-VHDGCEQUSA-N 2 0 296.361 2.847 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337751777 382861491 /nfs/dbraw/zinc/86/14/91/382861491.db2.gz JMGYOKRPZKOTJP-QGZVFWFLSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337765324 382863103 /nfs/dbraw/zinc/86/31/03/382863103.db2.gz SBLIOFMSHRXNQP-NVXWUHKLSA-N 2 0 260.425 2.926 20 0 CFADRP CC(C)(C)[NH2+]CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000230968814 382863737 /nfs/dbraw/zinc/86/37/37/382863737.db2.gz MZPDDGUKPKSHKG-UHFFFAOYSA-N 2 0 289.467 2.629 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000577582650 382863840 /nfs/dbraw/zinc/86/38/40/382863840.db2.gz DJQDBKADNOIXQZ-QGZVFWFLSA-N 2 0 293.499 2.856 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000577655231 382866699 /nfs/dbraw/zinc/86/66/99/382866699.db2.gz CYCCYILHKJYWCZ-JYJNAYRXSA-N 2 0 284.488 2.884 20 0 CFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000577650327 382866925 /nfs/dbraw/zinc/86/69/25/382866925.db2.gz MWBDHVNEKGYRDT-HOCLYGCPSA-N 2 0 289.423 2.641 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000577681997 382867292 /nfs/dbraw/zinc/86/72/92/382867292.db2.gz KNWSJVOPEOAFHD-DZGCQCFKSA-N 2 0 290.455 2.546 20 0 CFADRP CN(Cc1ccc(F)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000234329578 382874111 /nfs/dbraw/zinc/87/41/11/382874111.db2.gz LDJIORZSDFYURL-GFCCVEGCSA-N 2 0 270.779 2.911 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235043751 382876340 /nfs/dbraw/zinc/87/63/40/382876340.db2.gz CQHJGOHFAMOTRE-DZGCQCFKSA-N 2 0 262.397 2.515 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337988887 382890415 /nfs/dbraw/zinc/89/04/15/382890415.db2.gz OYOHBQKABXNPMT-OWCLPIDISA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337990348 382890964 /nfs/dbraw/zinc/89/09/64/382890964.db2.gz CDDYPMUZQNOYHC-DOTOQJQBSA-N 2 0 299.478 2.520 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337996893 382894304 /nfs/dbraw/zinc/89/43/04/382894304.db2.gz ZXKDHCHQWOHQSU-SJORKVTESA-N 2 0 299.478 2.522 20 0 CFADRP C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000578216861 382901914 /nfs/dbraw/zinc/90/19/14/382901914.db2.gz SYTJGKUFMVRUSG-CAOSSQGBSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1noc(C2CCC([NH2+]CCC[N@@H+](C)C(C)C)CC2)n1 ZINC000494913024 382940061 /nfs/dbraw/zinc/94/00/61/382940061.db2.gz VYRHJEBBFDJQPM-UHFFFAOYSA-N 2 0 294.443 2.724 20 0 CFADRP C[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C[NH+]1CCCC1 ZINC000442708883 382946502 /nfs/dbraw/zinc/94/65/02/382946502.db2.gz LZWGMQPHRIIGSN-CABCVRRESA-N 2 0 297.446 2.957 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCCCCC[C@H]2[NH3+])n1 ZINC000442742660 382950644 /nfs/dbraw/zinc/95/06/44/382950644.db2.gz DDVWTQSYVDEHCR-XQQFMLRXSA-N 2 0 280.416 2.881 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc(C)n1 ZINC000421860585 382951368 /nfs/dbraw/zinc/95/13/68/382951368.db2.gz UHXALJRCUCOYLQ-BRWVUGGUSA-N 2 0 273.424 2.661 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000442763501 382953333 /nfs/dbraw/zinc/95/33/33/382953333.db2.gz GSXVSMWFJOUOGC-OCCSQVGLSA-N 2 0 266.816 2.942 20 0 CFADRP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](C)[C@H]3C)CC2)nc(C)n1 ZINC000495041412 382954366 /nfs/dbraw/zinc/95/43/66/382954366.db2.gz FDOHVBGYUVSMIQ-NORZTCDRSA-N 2 0 288.439 2.696 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442782319 382955675 /nfs/dbraw/zinc/95/56/75/382955675.db2.gz QSSJTABGJNTGRV-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)[C@H]1C ZINC000495079769 382959459 /nfs/dbraw/zinc/95/94/59/382959459.db2.gz BAAUMMRYJSEVHU-IKGGRYGDSA-N 2 0 293.499 2.571 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422946907 532962155 /nfs/dbraw/zinc/96/21/55/532962155.db2.gz PRSCPCFEAOAMFE-OLZOCXBDSA-N 2 0 294.464 2.621 20 0 CFADRP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422947622 532962213 /nfs/dbraw/zinc/96/22/13/532962213.db2.gz QOQLRYPBYBHJHJ-MGPQQGTHSA-N 2 0 294.464 2.893 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236809950 382920730 /nfs/dbraw/zinc/92/07/30/382920730.db2.gz QTEXWLCOJMEWOL-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccncn2)C1 ZINC000578497960 382925895 /nfs/dbraw/zinc/92/58/95/382925895.db2.gz PRZSAKLJVREABE-KYJSFNMBSA-N 2 0 296.418 2.673 20 0 CFADRP CC1CCC(O)(C[NH2+]Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000578522069 382929637 /nfs/dbraw/zinc/92/96/37/382929637.db2.gz ZUTDZJRRPCEFFH-UHFFFAOYSA-N 2 0 290.451 2.779 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000578558457 382932521 /nfs/dbraw/zinc/93/25/21/382932521.db2.gz OXQTUGNQCZMYEQ-BMFZPTHFSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000534580747 382934303 /nfs/dbraw/zinc/93/43/03/382934303.db2.gz PHUQAPDOOQDVDE-MRXNPFEDSA-N 2 0 299.418 2.987 20 0 CFADRP C[N@H+](CCN[C@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422701504 382974331 /nfs/dbraw/zinc/97/43/31/382974331.db2.gz ISSFJSZJENXGAA-HOTGVXAUSA-N 2 0 267.461 2.501 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H](C)CCCC[NH3+])c1 ZINC000423022837 383016500 /nfs/dbraw/zinc/01/65/00/383016500.db2.gz GBAZIHCSDLECOQ-CQSZACIVSA-N 2 0 263.429 2.986 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000422728682 382976870 /nfs/dbraw/zinc/97/68/70/382976870.db2.gz GNLRDZNXNDVHBJ-SWLSCSKDSA-N 2 0 266.816 2.860 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000338288663 382977213 /nfs/dbraw/zinc/97/72/13/382977213.db2.gz MHWKEEVYGFPPDA-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422767451 382977908 /nfs/dbraw/zinc/97/79/08/382977908.db2.gz SCVKWYOCKHHQNU-NUWOQIAWSA-N 3 0 295.515 2.850 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000422772945 382978822 /nfs/dbraw/zinc/97/88/22/382978822.db2.gz ZJCNJYBKKBZGRX-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422783453 382979035 /nfs/dbraw/zinc/97/90/35/382979035.db2.gz LCAWONPWVOXYBV-ROUUACIJSA-N 2 0 289.467 2.758 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422776374 382979893 /nfs/dbraw/zinc/97/98/93/382979893.db2.gz DJWYVIZVDCCZCC-NWANDNLSSA-N 2 0 293.842 2.778 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](CC)CC)C1CCOCC1 ZINC000338294625 382980732 /nfs/dbraw/zinc/98/07/32/382980732.db2.gz CFEMVUIYVOLFFD-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422807900 382981132 /nfs/dbraw/zinc/98/11/32/382981132.db2.gz KFKGZASZILBZOJ-XIRDDKMYSA-N 2 0 276.424 2.932 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245628642 383016834 /nfs/dbraw/zinc/01/68/34/383016834.db2.gz RNQICIPZXJLBCF-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422862392 382983616 /nfs/dbraw/zinc/98/36/16/382983616.db2.gz NSBYEWWFLQXWHN-ZACQAIPSSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422890853 382986464 /nfs/dbraw/zinc/98/64/64/382986464.db2.gz UBFLLNSXRFVGAC-RZFLPCETSA-N 2 0 293.499 2.760 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000548885315 382990636 /nfs/dbraw/zinc/99/06/36/382990636.db2.gz ULVUITNVCXDCIN-RBSFLKMASA-N 2 0 256.409 2.836 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422974712 382993003 /nfs/dbraw/zinc/99/30/03/382993003.db2.gz RTSHYVYMSTWRQW-CABCVRRESA-N 2 0 299.418 2.876 20 0 CFADRP C[C@H]([NH2+]CCOc1cccc(C(C)(C)C)c1)C1C[NH2+]C1 ZINC000422976636 382993016 /nfs/dbraw/zinc/99/30/16/382993016.db2.gz DJEZXYWQWRDYOK-ZDUSSCGKSA-N 2 0 276.424 2.560 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000422979953 382993626 /nfs/dbraw/zinc/99/36/26/382993626.db2.gz NYVMAGQOZXXNKD-PXAZEXFGSA-N 2 0 297.402 2.892 20 0 CFADRP CC[C@H](NC[C@@H](c1ccco1)[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422978566 382993849 /nfs/dbraw/zinc/99/38/49/382993849.db2.gz ZPRUXDQEAUBERM-JYJNAYRXSA-N 2 0 293.455 2.783 20 0 CFADRP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C)[C@H]2C)[C@@H]1C ZINC000447313664 382995477 /nfs/dbraw/zinc/99/54/77/382995477.db2.gz KODOQTBJQYVTOG-ZHCJQAHYSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423028558 383018830 /nfs/dbraw/zinc/01/88/30/383018830.db2.gz GRXGJEPUDSESGE-HIFRSBDPSA-N 2 0 279.403 2.605 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024151 383017781 /nfs/dbraw/zinc/01/77/81/383017781.db2.gz LCELMYXDNCCCMW-QJPTWQEYSA-N 2 0 299.821 2.773 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C1CCCCC1 ZINC000423024328 383017853 /nfs/dbraw/zinc/01/78/53/383017853.db2.gz LLVUBQWBYDQGNK-HNNXBMFYSA-N 2 0 270.461 2.936 20 0 CFADRP c1ccc(CO[C@@H]2CCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422992270 382999824 /nfs/dbraw/zinc/99/98/24/382999824.db2.gz QYMTUJFENAZFOS-RCCFBDPRSA-N 2 0 288.435 2.856 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000422992548 382999984 /nfs/dbraw/zinc/99/99/84/382999984.db2.gz RIOKZVJGACQXPP-IRXDYDNUSA-N 2 0 298.434 2.930 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)OC ZINC000422996194 383001384 /nfs/dbraw/zinc/00/13/84/383001384.db2.gz LGUUSYPRBDTSOC-BMFZPTHFSA-N 2 0 270.461 2.805 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000422996685 383002688 /nfs/dbraw/zinc/00/26/88/383002688.db2.gz MTPFINQDDSCFNM-VHDGCEQUSA-N 2 0 256.434 2.558 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422999318 383003247 /nfs/dbraw/zinc/00/32/47/383003247.db2.gz SJIDQNAVISVUOK-CABCVRRESA-N 2 0 290.455 2.513 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422727428 532965888 /nfs/dbraw/zinc/96/58/88/532965888.db2.gz CIJHMEGFZPHRBM-MNOVXSKESA-N 2 0 290.329 2.843 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422999467 383003372 /nfs/dbraw/zinc/00/33/72/383003372.db2.gz FFTQZMUAOBSUNR-BBRMVZONSA-N 2 0 276.424 2.690 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422999549 383004562 /nfs/dbraw/zinc/00/45/62/383004562.db2.gz SPXSENMPJNGABF-WBVHZDCISA-N 2 0 276.424 2.735 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423006300 383008892 /nfs/dbraw/zinc/00/88/92/383008892.db2.gz UYTZRSNBAQXBHZ-CJNGLKHVSA-N 2 0 296.842 2.834 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423014227 383011502 /nfs/dbraw/zinc/01/15/02/383011502.db2.gz OLVNDFAIZVPVBA-KDOFPFPSSA-N 2 0 272.436 2.769 20 0 CFADRP CC(C)CSCCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013700 383011573 /nfs/dbraw/zinc/01/15/73/383011573.db2.gz NILXXSALJSQGHD-KGLIPLIRSA-N 2 0 258.475 2.886 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013351 383011651 /nfs/dbraw/zinc/01/16/51/383011651.db2.gz MRLJZZOGRPXEIB-MNOVXSKESA-N 2 0 268.351 2.712 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423015463 383012706 /nfs/dbraw/zinc/01/27/06/383012706.db2.gz RAHGZYMJDGSFAC-MELADBBJSA-N 2 0 279.403 2.510 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2ccccc21 ZINC000423015413 383012735 /nfs/dbraw/zinc/01/27/35/383012735.db2.gz KSXGHHCCQAAHJC-NNXHMXCWSA-N 2 0 284.403 2.678 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423015063 383012748 /nfs/dbraw/zinc/01/27/48/383012748.db2.gz QJGFJUAZPDBTKO-UONOGXRCSA-N 2 0 282.815 2.751 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423016741 383012844 /nfs/dbraw/zinc/01/28/44/383012844.db2.gz UMNTWWJENVRIKU-KBPBESRZSA-N 2 0 264.413 2.591 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c2ccccc21 ZINC000423015414 383012962 /nfs/dbraw/zinc/01/29/62/383012962.db2.gz KSXGHHCCQAAHJC-NQNKBUKLSA-N 2 0 284.403 2.678 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000423014768 383013005 /nfs/dbraw/zinc/01/30/05/383013005.db2.gz JIOUIHZFIHJEBU-CVEARBPZSA-N 2 0 258.409 2.509 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245600565 383013179 /nfs/dbraw/zinc/01/31/79/383013179.db2.gz ORXGCODPJDFXSZ-HUUCEWRRSA-N 2 0 276.428 2.648 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423018612 383014995 /nfs/dbraw/zinc/01/49/95/383014995.db2.gz ZKQJFWVFEBPFLX-UONOGXRCSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423018610 383015395 /nfs/dbraw/zinc/01/53/95/383015395.db2.gz ZKQJFWVFEBPFLX-KBPBESRZSA-N 2 0 279.403 2.512 20 0 CFADRP COCC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000338389471 383015676 /nfs/dbraw/zinc/01/56/76/383015676.db2.gz TZEWXFSNLYNIGB-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccc(F)cc2Cl)CC1)C1C[NH2+]C1 ZINC000423021104 383016285 /nfs/dbraw/zinc/01/62/85/383016285.db2.gz DJOSRUOGXONCGL-JTQLQIEISA-N 2 0 282.790 2.708 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@@H]2CCCCO2)[C@H](C)C1 ZINC000338273773 382971323 /nfs/dbraw/zinc/97/13/23/382971323.db2.gz HJILXYMJDAQMEQ-IXDOHACOSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000423046514 383028368 /nfs/dbraw/zinc/02/83/68/383028368.db2.gz FLEFMSOMGVTXIB-ZIAGYGMSSA-N 2 0 269.392 2.964 20 0 CFADRP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423046919 383028392 /nfs/dbraw/zinc/02/83/92/383028392.db2.gz GHKXWZHWOHRHFZ-HUUCEWRRSA-N 2 0 258.365 2.753 20 0 CFADRP CC1(C)[C@@H]([NH2+]C2CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000423045748 383028560 /nfs/dbraw/zinc/02/85/60/383028560.db2.gz CLCGUUZRPWIBAC-IRXDYDNUSA-N 2 0 288.435 2.712 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423047155 383028697 /nfs/dbraw/zinc/02/86/97/383028697.db2.gz GPHHURMJKIKTMV-DDUZABMNSA-N 2 0 288.435 2.845 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(C)c3ccccc32)CC[N@@H+]1C ZINC000245732491 383029346 /nfs/dbraw/zinc/02/93/46/383029346.db2.gz IYNWGKCJQIOQTK-OAGGEKHMSA-N 2 0 287.451 2.682 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423047962 383029727 /nfs/dbraw/zinc/02/97/27/383029727.db2.gz HXCWOPWAUCOEET-YVSFHVDLSA-N 2 0 274.408 2.624 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH]nc2C(C)(C)C)[C@@H](C)C1 ZINC000245735373 383030308 /nfs/dbraw/zinc/03/03/08/383030308.db2.gz KPRHYYUQLUBLPM-ZFWWWQNUSA-N 2 0 292.471 2.869 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CSc1ccc(C)cc1 ZINC000423051704 383031782 /nfs/dbraw/zinc/03/17/82/383031782.db2.gz OAWDJFRCRZJKNK-CABCVRRESA-N 2 0 296.480 2.819 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CSc1ccc(C)cc1 ZINC000423051705 383031947 /nfs/dbraw/zinc/03/19/47/383031947.db2.gz OAWDJFRCRZJKNK-GJZGRUSLSA-N 2 0 296.480 2.819 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000245751953 383032309 /nfs/dbraw/zinc/03/23/09/383032309.db2.gz HEZZDKNFXBHHET-DOTOQJQBSA-N 2 0 274.408 2.611 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423054853 383032698 /nfs/dbraw/zinc/03/26/98/383032698.db2.gz VJDAGNUUCNWPLT-OCCSQVGLSA-N 2 0 278.444 2.739 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCF)C[C@@H]1c1ccccc1 ZINC000551086150 383033915 /nfs/dbraw/zinc/03/39/15/383033915.db2.gz MOQIKZQBWGVCHB-HUUCEWRRSA-N 2 0 250.361 2.771 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423056164 383034703 /nfs/dbraw/zinc/03/47/03/383034703.db2.gz FKFFMUBWFQNVPC-JTQLQIEISA-N 2 0 272.314 2.711 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c2ccc(F)cc21 ZINC000423055732 383034714 /nfs/dbraw/zinc/03/47/14/383034714.db2.gz WKTLFNWCYGBGMX-BLLLJJGKSA-N 2 0 289.398 2.577 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])c2ccc(Cl)cc21 ZINC000423060382 383035684 /nfs/dbraw/zinc/03/56/84/383035684.db2.gz HZVWYXPZZBFRIE-CABCVRRESA-N 2 0 291.826 2.844 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CC(C)(C)C ZINC000423062128 383036818 /nfs/dbraw/zinc/03/68/18/383036818.db2.gz SMNVVJKDXFJPQH-CBBWQLFWSA-N 2 0 270.461 2.791 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000423062835 383037309 /nfs/dbraw/zinc/03/73/09/383037309.db2.gz UWXJGERRMYFTKU-QRTARXTBSA-N 2 0 258.409 2.595 20 0 CFADRP CCSc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccn1 ZINC000423066560 383038045 /nfs/dbraw/zinc/03/80/45/383038045.db2.gz XCMFZZMDCOJHQT-GFCCVEGCSA-N 2 0 267.442 2.801 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccccc1OC(F)F ZINC000423069410 383039353 /nfs/dbraw/zinc/03/93/53/383039353.db2.gz LMCMVFGMUAVAEL-LLVKDONJSA-N 2 0 272.339 2.548 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)[C@@H](C)C2 ZINC000423390754 383078565 /nfs/dbraw/zinc/07/85/65/383078565.db2.gz KJRSTTWFNXCFEB-WRFANHODSA-N 2 0 258.409 2.816 20 0 CFADRP CCC[NH+]1CCC(NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448023067 383040459 /nfs/dbraw/zinc/04/04/59/383040459.db2.gz RLYNNWHHYHGHBR-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093448 383041144 /nfs/dbraw/zinc/04/11/44/383041144.db2.gz HMRGHBBZDYNTGE-GDBMZVCRSA-N 3 0 267.461 2.501 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423084590 383041346 /nfs/dbraw/zinc/04/13/46/383041346.db2.gz ILLBJCPHRXZBIA-HZMVEIRTSA-N 3 0 293.499 2.617 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423095955 383041515 /nfs/dbraw/zinc/04/15/15/383041515.db2.gz GOFJHTQVAKWFPT-DLBZAZTESA-N 2 0 293.499 2.750 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423105622 383042613 /nfs/dbraw/zinc/04/26/13/383042613.db2.gz ZAGGAQGIEVRZBP-IGQOVBAYSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C[NH3+])CC2)C[C@H](C)O1 ZINC000423117387 383042860 /nfs/dbraw/zinc/04/28/60/383042860.db2.gz VFCVINYMTCEWDH-QCROOJIWSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423148863 383044798 /nfs/dbraw/zinc/04/47/98/383044798.db2.gz WTRPTYWLIOMZKX-YDHLFZDLSA-N 2 0 276.449 2.983 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)nc1 ZINC000423161052 383046276 /nfs/dbraw/zinc/04/62/76/383046276.db2.gz ILQOIPZQLBHUTP-DOTOQJQBSA-N 2 0 275.440 2.833 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH2+]CC2)C(C)C)cc1 ZINC000423193499 383049147 /nfs/dbraw/zinc/04/91/47/383049147.db2.gz WPQSWWDSEWALCR-KRWDZBQOSA-N 2 0 260.425 2.904 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000423210049 383049918 /nfs/dbraw/zinc/04/99/18/383049918.db2.gz JMURYSCVKMXHNL-AWEZNQCLSA-N 2 0 258.409 2.523 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423204410 383050503 /nfs/dbraw/zinc/05/05/03/383050503.db2.gz AOWLRYRWKUFPTB-HUBLWGQQSA-N 2 0 292.398 2.799 20 0 CFADRP Cc1nc(C)c([C@H](C)N[C@H](C[NH3+])CC(C)C)s1 ZINC000423262007 383053893 /nfs/dbraw/zinc/05/38/93/383053893.db2.gz LJFNCUNBGZDTRF-JQWIXIFHSA-N 2 0 255.431 2.784 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423266221 383054084 /nfs/dbraw/zinc/05/40/84/383054084.db2.gz DANDGLTUFXSJPK-HIFRSBDPSA-N 2 0 262.397 2.654 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C12CCCCC2 ZINC000423392169 383079401 /nfs/dbraw/zinc/07/94/01/383079401.db2.gz LGJUCTWHUVOJPH-FXUDXRNXSA-N 2 0 280.456 2.702 20 0 CFADRP c1cncc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423272968 383055790 /nfs/dbraw/zinc/05/57/90/383055790.db2.gz KKGAHYAJZZQZDN-YOEHRIQHSA-N 2 0 273.424 2.902 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000423297020 383056981 /nfs/dbraw/zinc/05/69/81/383056981.db2.gz IKOBWWIYTQQIBY-DOMZBBRYSA-N 2 0 280.387 2.929 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423306065 383057204 /nfs/dbraw/zinc/05/72/04/383057204.db2.gz LDDXDTLSSGDPTL-GWCFXTLKSA-N 2 0 268.788 2.738 20 0 CFADRP CC[C@H](CO)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836167 383057811 /nfs/dbraw/zinc/05/78/11/383057811.db2.gz BYHHMFIULHGTGV-IAGOWNOFSA-N 2 0 288.435 2.544 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)C12CCCCC2 ZINC000423315552 383058066 /nfs/dbraw/zinc/05/80/66/383058066.db2.gz AXAYNPGNEYJTSX-ZIAGYGMSSA-N 2 0 266.429 2.585 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1OC ZINC000423350562 383059796 /nfs/dbraw/zinc/05/97/96/383059796.db2.gz ZSLADGOHZNHUAZ-ZDUSSCGKSA-N 2 0 290.407 2.583 20 0 CFADRP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1CCCCC1 ZINC000551984349 383061019 /nfs/dbraw/zinc/06/10/19/383061019.db2.gz BEDDRQYMNDHDOY-CYBMUJFWSA-N 2 0 298.390 2.890 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423359049 383062340 /nfs/dbraw/zinc/06/23/40/383062340.db2.gz JXSKHGPFDALHII-GDBMZVCRSA-N 2 0 274.408 2.940 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423359493 383063286 /nfs/dbraw/zinc/06/32/86/383063286.db2.gz KROYRVVRRVHWTD-UKRRQHHQSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]CC1=CC[NH2+]CC1 ZINC000423360573 383063932 /nfs/dbraw/zinc/06/39/32/383063932.db2.gz WELMMDLJNCIIMS-CYBMUJFWSA-N 2 0 270.376 2.873 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000423363909 383064735 /nfs/dbraw/zinc/06/47/35/383064735.db2.gz CCSLCFRTHPZTBW-XEZPLFJOSA-N 2 0 262.397 2.652 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423363035 383065151 /nfs/dbraw/zinc/06/51/51/383065151.db2.gz UMDJLBBAVSHWFW-MOIQIXESSA-N 2 0 288.435 2.919 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423364411 383065350 /nfs/dbraw/zinc/06/53/50/383065350.db2.gz APDBCAYBLUGGDL-ZQDZILKHSA-N 2 0 268.445 2.686 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423366813 383066418 /nfs/dbraw/zinc/06/64/18/383066418.db2.gz QOMZBUNHMFPSRZ-AEFFLSMTSA-N 2 0 288.435 2.748 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000423367353 383066450 /nfs/dbraw/zinc/06/64/50/383066450.db2.gz AFJRRAHXMCRJAT-BLYZHGLHSA-N 2 0 256.459 2.638 20 0 CFADRP CC1([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[NH2+]CC1 ZINC000579928572 383066686 /nfs/dbraw/zinc/06/66/86/383066686.db2.gz OUEXEGGICMOFLT-UHFFFAOYSA-N 2 0 298.390 2.501 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@H]2CCCO[C@@H]21 ZINC000423371022 383068395 /nfs/dbraw/zinc/06/83/95/383068395.db2.gz AELRTFMZOASDIP-TUVASFSCSA-N 2 0 280.456 2.558 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423377729 383072204 /nfs/dbraw/zinc/07/22/04/383072204.db2.gz KHBXNKPMERSQHY-MGPQQGTHSA-N 2 0 294.439 2.783 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000246550403 383080446 /nfs/dbraw/zinc/08/04/46/383080446.db2.gz WNMJAKPSSADVFB-JONQDZQNSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423394765 383080491 /nfs/dbraw/zinc/08/04/91/383080491.db2.gz SHQYJHMCMWFYNP-ZQDZILKHSA-N 2 0 268.445 2.556 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423383396 383076227 /nfs/dbraw/zinc/07/62/27/383076227.db2.gz JGWGENOSKUFMDL-MWDXBVQZSA-N 2 0 293.499 2.665 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423029860 383019948 /nfs/dbraw/zinc/01/99/48/383019948.db2.gz IVMVDLSYRNJHOC-WBVHZDCISA-N 2 0 278.440 2.740 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000423030866 383020064 /nfs/dbraw/zinc/02/00/64/383020064.db2.gz KATKUGDORZFFSC-YNEHKIRRSA-N 2 0 258.475 2.742 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423031870 383021138 /nfs/dbraw/zinc/02/11/38/383021138.db2.gz DVMXPJLSOJRKKI-IXDOHACOSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)CCCC[NH3+])CCC2 ZINC000423039376 383025100 /nfs/dbraw/zinc/02/51/00/383025100.db2.gz FGQCMOKAXSDMCC-CMPLNLGQSA-N 2 0 267.442 2.936 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423039529 383025209 /nfs/dbraw/zinc/02/52/09/383025209.db2.gz QSYGMEJYCRKJRW-DYSFYUKASA-N 2 0 280.456 2.558 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCO1 ZINC000423041349 383026752 /nfs/dbraw/zinc/02/67/52/383026752.db2.gz IXHLVHKYIIJVCO-DZUCGIPZSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423044594 383027260 /nfs/dbraw/zinc/02/72/60/383027260.db2.gz BPRQTGIAMFFLBC-BMFZPTHFSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423490239 383119582 /nfs/dbraw/zinc/11/95/82/383119582.db2.gz HNTDVTQNPARECN-OFQRWUPVSA-N 2 0 284.407 2.650 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1OC ZINC000423490324 383119607 /nfs/dbraw/zinc/11/96/07/383119607.db2.gz HTYNCDBXRQZQLZ-NFAWXSAZSA-N 2 0 262.397 2.863 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCC1 ZINC000339008824 383119651 /nfs/dbraw/zinc/11/96/51/383119651.db2.gz CHPVWZKQORBKLA-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000423493613 383120048 /nfs/dbraw/zinc/12/00/48/383120048.db2.gz QHZJKIAXARBIJO-NHCYSSNCSA-N 2 0 254.324 2.743 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423494978 383121420 /nfs/dbraw/zinc/12/14/20/383121420.db2.gz TUHQMJSRJRXNIP-MELADBBJSA-N 2 0 292.423 2.790 20 0 CFADRP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCC2)cc1 ZINC000423495998 383121446 /nfs/dbraw/zinc/12/14/46/383121446.db2.gz VPMUURSJNFUABQ-ROUUACIJSA-N 2 0 288.435 2.804 20 0 CFADRP FC(F)(F)C1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000554140215 383125644 /nfs/dbraw/zinc/12/56/44/383125644.db2.gz XRGIRFJBQRJRPC-UHFFFAOYSA-N 2 0 276.346 2.791 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423518390 383125615 /nfs/dbraw/zinc/12/56/15/383125615.db2.gz CQJCVPAJCHBKQL-SVXFNXITSA-N 2 0 294.483 2.791 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000423541082 383126486 /nfs/dbraw/zinc/12/64/86/383126486.db2.gz FDHSMMDKGRXMLR-MGPQQGTHSA-N 2 0 268.470 2.769 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000246971720 383127403 /nfs/dbraw/zinc/12/74/03/383127403.db2.gz JMYUCGJEPWQCNB-JYJNAYRXSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000497410697 383132699 /nfs/dbraw/zinc/13/26/99/383132699.db2.gz JJHKVEAOYRYUDE-DKIMLUQUSA-N 2 0 288.435 2.694 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247058170 383136744 /nfs/dbraw/zinc/13/67/44/383136744.db2.gz ZQTPDVFBLFATLM-WMLDXEAASA-N 2 0 276.424 2.857 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247048909 383136873 /nfs/dbraw/zinc/13/68/73/383136873.db2.gz MBXSALGOPTZSBK-XHSDSOJGSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000247152836 383146882 /nfs/dbraw/zinc/14/68/82/383146882.db2.gz ROSYTVJZQWVKPQ-RYRKJORJSA-N 2 0 290.451 2.912 20 0 CFADRP Clc1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339070306 383139418 /nfs/dbraw/zinc/13/94/18/383139418.db2.gz LSVIRCWOKZPEKR-LSDHHAIUSA-N 2 0 294.826 2.935 20 0 CFADRP Fc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000339070447 383139488 /nfs/dbraw/zinc/13/94/88/383139488.db2.gz XVRSGFNHKRJOCY-ZIAGYGMSSA-N 2 0 296.361 2.560 20 0 CFADRP Oc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339076994 383139883 /nfs/dbraw/zinc/13/98/83/383139883.db2.gz XFKPIBMHNBKYFM-JKSUJKDBSA-N 2 0 274.408 2.541 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000247079674 383140124 /nfs/dbraw/zinc/14/01/24/383140124.db2.gz OSZKJWFSYIAHFW-ZBFHGGJFSA-N 2 0 274.408 2.832 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)cc1 ZINC000423395381 383081030 /nfs/dbraw/zinc/08/10/30/383081030.db2.gz SRUVIRVAGYMEQB-XGWLTEMNSA-N 2 0 274.408 2.876 20 0 CFADRP COCc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246566353 383081271 /nfs/dbraw/zinc/08/12/71/383081271.db2.gz LDOYIYXCVDNUOZ-ZWKOTPCHSA-N 2 0 288.435 2.749 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423396612 383082218 /nfs/dbraw/zinc/08/22/18/383082218.db2.gz UATHOUHVJOJSHZ-IIAWOOMASA-N 2 0 261.413 2.695 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423401233 383083061 /nfs/dbraw/zinc/08/30/61/383083061.db2.gz XAVDVILRFKJBLU-MELADBBJSA-N 2 0 292.423 2.803 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423404613 383084119 /nfs/dbraw/zinc/08/41/19/383084119.db2.gz SOHOOJSXNZWIDQ-HWWQOWPSSA-N 2 0 282.378 2.874 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1(CC)CC ZINC000423403628 383084675 /nfs/dbraw/zinc/08/46/75/383084675.db2.gz YRULKXTULZFLPO-LJISPDSOSA-N 2 0 268.445 2.700 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408387 383086650 /nfs/dbraw/zinc/08/66/50/383086650.db2.gz AGZRPLCLOQJYMM-BBRMVZONSA-N 2 0 273.424 2.652 20 0 CFADRP COCCC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000423407578 383086668 /nfs/dbraw/zinc/08/66/68/383086668.db2.gz WACXKDQPGNEAMA-XKQJLSEDSA-N 2 0 294.414 2.881 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423407950 383086916 /nfs/dbraw/zinc/08/69/16/383086916.db2.gz WQMDGDSGMAPXMY-NOYHWAJDSA-N 2 0 258.409 2.766 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1O ZINC000423416144 383089310 /nfs/dbraw/zinc/08/93/10/383089310.db2.gz BXRIDXYVDYHDHI-MGPQQGTHSA-N 2 0 292.423 2.817 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423419999 383090145 /nfs/dbraw/zinc/09/01/45/383090145.db2.gz BIYDDCRUZKCLTK-UONOGXRCSA-N 2 0 277.412 2.511 20 0 CFADRP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423421446 383090700 /nfs/dbraw/zinc/09/07/00/383090700.db2.gz BZNHOGDEXYIQPB-XJBGLIRHSA-N 2 0 276.811 2.784 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000423426038 383091708 /nfs/dbraw/zinc/09/17/08/383091708.db2.gz OWBZBUVUNQMHFY-YHUYYLMFSA-N 2 0 282.472 2.933 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000423432778 383093759 /nfs/dbraw/zinc/09/37/59/383093759.db2.gz JIEBOOBRMIVRMP-KNXALSJPSA-N 2 0 262.372 2.864 20 0 CFADRP CC1(C)CCc2ccccc2[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423440413 383097479 /nfs/dbraw/zinc/09/74/79/383097479.db2.gz SXVRIZHPTZPIIQ-VVLHAWIVSA-N 2 0 270.420 2.898 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000423443884 383098397 /nfs/dbraw/zinc/09/83/97/383098397.db2.gz KXHNEGCNMVYQPM-GVARAGBVSA-N 2 0 250.361 2.787 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423447278 383099820 /nfs/dbraw/zinc/09/98/20/383099820.db2.gz UFXFJRIBOACOSW-OAUYIBNBSA-N 2 0 274.408 2.734 20 0 CFADRP c1ccc([C@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423451909 383100867 /nfs/dbraw/zinc/10/08/67/383100867.db2.gz HCMRKSIWHVTBJQ-NRKLIOEPSA-N 2 0 256.393 2.520 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000584420991 383101955 /nfs/dbraw/zinc/10/19/55/383101955.db2.gz YZCBYFGJNJBAAY-YGRLFVJLSA-N 2 0 297.240 2.797 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423464615 383105162 /nfs/dbraw/zinc/10/51/62/383105162.db2.gz MHLXQSPVLKLAPO-ATAKMUTHSA-N 2 0 254.418 2.582 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(Br)cc1F ZINC000423462632 383105336 /nfs/dbraw/zinc/10/53/36/383105336.db2.gz KWZXLROTHOTKSU-HLTSFMKQSA-N 2 0 289.192 2.975 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423468306 383107463 /nfs/dbraw/zinc/10/74/63/383107463.db2.gz YECBEBKHEZYITA-IJEWVQPXSA-N 2 0 261.413 2.825 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423472079 383109272 /nfs/dbraw/zinc/10/92/72/383109272.db2.gz XFRNZGDKLVZXOW-KCQAQPDRSA-N 2 0 262.397 2.863 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423472476 383109447 /nfs/dbraw/zinc/10/94/47/383109447.db2.gz FXJAOKKXEIYNCO-KBXCAEBGSA-N 2 0 283.419 2.625 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423474873 383110605 /nfs/dbraw/zinc/11/06/05/383110605.db2.gz HTTLEHBZWBKJAY-GDBMZVCRSA-N 2 0 262.372 2.935 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423475707 383110706 /nfs/dbraw/zinc/11/07/06/383110706.db2.gz RWTQIGQKXGFQGH-CFVMTHIKSA-N 2 0 262.397 2.559 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423474521 383110734 /nfs/dbraw/zinc/11/07/34/383110734.db2.gz HLGVOQWDAWAHDF-SOUVJXGZSA-N 2 0 268.445 2.700 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000246836351 383111309 /nfs/dbraw/zinc/11/13/09/383111309.db2.gz AQXSIPXQGJPRIK-BLLLJJGKSA-N 2 0 282.378 2.827 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3=Cc4ccccc4OC3)CC[C@H]21 ZINC000246850819 383112442 /nfs/dbraw/zinc/11/24/42/383112442.db2.gz SCWOISFSRLJYLR-QZTJIDSGSA-N 2 0 298.430 2.879 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423479499 383113055 /nfs/dbraw/zinc/11/30/55/383113055.db2.gz VMOJKSKXIBUBBO-GMTAPVOTSA-N 2 0 256.340 2.611 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423480519 383113199 /nfs/dbraw/zinc/11/31/99/383113199.db2.gz WDWPFAQRABMZIY-ZFWWWQNUSA-N 2 0 266.816 2.988 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CO2 ZINC000423484440 383115862 /nfs/dbraw/zinc/11/58/62/383115862.db2.gz RDAZGJMLQKVVMA-HOTGVXAUSA-N 2 0 274.408 2.502 20 0 CFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423487259 383116441 /nfs/dbraw/zinc/11/64/41/383116441.db2.gz UAECUDIPICXWGR-GJZGRUSLSA-N 2 0 289.423 2.526 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)cc(F)c1 ZINC000423492029 383119299 /nfs/dbraw/zinc/11/92/99/383119299.db2.gz LEWCQNXHDDDYGL-IMSIIYSGSA-N 2 0 254.324 2.743 20 0 CFADRP Cc1cc(N)cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000517330452 383176939 /nfs/dbraw/zinc/17/69/39/383176939.db2.gz ASRZSBGEHRISON-UHFFFAOYSA-N 2 0 273.424 2.541 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000449112801 383179953 /nfs/dbraw/zinc/17/99/53/383179953.db2.gz SUPDFWOWNZMMCT-YQQAZPJKSA-N 2 0 282.472 2.902 20 0 CFADRP CCc1noc(C)c1CNCc1cnc2c(C)cccn12 ZINC000339436826 383197276 /nfs/dbraw/zinc/19/72/76/383197276.db2.gz IBIULMIJTRUFQY-UHFFFAOYSA-N 2 0 284.363 2.791 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339438249 383197296 /nfs/dbraw/zinc/19/72/96/383197296.db2.gz BQXLFAAZQSHCQI-QGZVFWFLSA-N 2 0 258.409 2.913 20 0 CFADRP C[C@H](CCCC[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424179769 383198992 /nfs/dbraw/zinc/19/89/92/383198992.db2.gz UJNUNXWZVIANOU-ZBFHGGJFSA-N 2 0 297.487 2.698 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248148685 383214214 /nfs/dbraw/zinc/21/42/14/383214214.db2.gz QMESFJHJNBRQRT-SJLPKXTDSA-N 2 0 288.435 2.654 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000247979205 383204693 /nfs/dbraw/zinc/20/46/93/383204693.db2.gz IDLBDDNBOBRTMP-BMFZPTHFSA-N 2 0 258.409 2.789 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000248026414 383207171 /nfs/dbraw/zinc/20/71/71/383207171.db2.gz PBUVPBUZTNEFHT-SOUVJXGZSA-N 2 0 295.496 2.671 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC000449036121 383147671 /nfs/dbraw/zinc/14/76/71/383147671.db2.gz IXECZTNKKAKGMD-INIZCTEOSA-N 2 0 296.480 2.989 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000513544783 383152808 /nfs/dbraw/zinc/15/28/08/383152808.db2.gz MIGZDKBAOVGSOV-NVXWUHKLSA-N 2 0 298.434 2.800 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000449076018 383163297 /nfs/dbraw/zinc/16/32/97/383163297.db2.gz GGVFKEJYBWXKLP-MLHJIOFPSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449080029 383165743 /nfs/dbraw/zinc/16/57/43/383165743.db2.gz SAWJOFSRLADGOL-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449079611 383165775 /nfs/dbraw/zinc/16/57/75/383165775.db2.gz PFWVYDBTZLZIOS-UKRRQHHQSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000449082691 383167307 /nfs/dbraw/zinc/16/73/07/383167307.db2.gz PBOAPCMWIGOTEK-KFWWJZLASA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021435 296343228 /nfs/dbraw/zinc/34/32/28/296343228.db2.gz JHXABZFCAYJGMG-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000248481652 383248652 /nfs/dbraw/zinc/24/86/52/383248652.db2.gz BJVZKNMTZYHMOW-DYEKYZERSA-N 2 0 281.469 2.875 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)COCC(F)(F)F)CC1 ZINC000449380576 383250524 /nfs/dbraw/zinc/25/05/24/383250524.db2.gz NXUPZQJGDPYHSN-LBPRGKRZSA-N 2 0 296.377 2.808 20 0 CFADRP CC(C)[C@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000248544633 383256428 /nfs/dbraw/zinc/25/64/28/383256428.db2.gz DSTSJQXCJSJWPF-QZTJIDSGSA-N 2 0 296.499 2.837 20 0 CFADRP CCc1nocc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000339600773 383258535 /nfs/dbraw/zinc/25/85/35/383258535.db2.gz ANUOAOYDMRKCFA-CQSZACIVSA-N 2 0 265.401 2.543 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000248555442 383258771 /nfs/dbraw/zinc/25/87/71/383258771.db2.gz KMFAODSPRSOBIF-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000248569837 383261662 /nfs/dbraw/zinc/26/16/62/383261662.db2.gz QKRYFFKEIMXCMX-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000567373289 383269951 /nfs/dbraw/zinc/26/99/51/383269951.db2.gz FKDQSDSTOQHEFC-MSOLQXFVSA-N 2 0 291.483 2.587 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000567439961 383274269 /nfs/dbraw/zinc/27/42/69/383274269.db2.gz YOHNPYWTLZRAJM-STQMWFEESA-N 2 0 282.378 3.000 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1F ZINC000422768321 532976330 /nfs/dbraw/zinc/97/63/30/532976330.db2.gz SAEMLDQFHMVYKC-RDTXWAMCSA-N 2 0 286.394 2.916 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000449329485 383221082 /nfs/dbraw/zinc/22/10/82/383221082.db2.gz OOIHTBMSOPFUKY-CQSZACIVSA-N 2 0 293.455 2.936 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000519775239 383234977 /nfs/dbraw/zinc/23/49/77/383234977.db2.gz GANATAMVOKDBLM-PVAVHDDUSA-N 2 0 294.389 2.970 20 0 CFADRP COCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248407287 383237852 /nfs/dbraw/zinc/23/78/52/383237852.db2.gz UFPNKAMKDKYXEU-KZNAEPCWSA-N 2 0 288.435 2.523 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)C ZINC000248434730 383242307 /nfs/dbraw/zinc/24/23/07/383242307.db2.gz DZJKRFZONICBBO-QZTJIDSGSA-N 2 0 290.451 2.777 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000248438156 383243332 /nfs/dbraw/zinc/24/33/32/383243332.db2.gz BSNPJPJQEHYYDN-GJZGRUSLSA-N 2 0 296.455 2.524 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(O)c1 ZINC000567895186 383328832 /nfs/dbraw/zinc/32/88/32/383328832.db2.gz AABUAYXLJHCNCC-GFCCVEGCSA-N 2 0 256.349 2.702 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000634733240 383334918 /nfs/dbraw/zinc/33/49/18/383334918.db2.gz ARBYNBGDQYHOPL-ZBFHGGJFSA-N 2 0 292.471 2.763 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000634733154 383334989 /nfs/dbraw/zinc/33/49/89/383334989.db2.gz YHYYGESVPGAUFF-INIZCTEOSA-N 2 0 298.434 2.740 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)C1 ZINC000248756153 383288966 /nfs/dbraw/zinc/28/89/66/383288966.db2.gz GDWQCZASHGJMEA-QLFBSQMISA-N 2 0 268.445 2.510 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000567604296 383291273 /nfs/dbraw/zinc/29/12/73/383291273.db2.gz MXJCZKBQPZMHMR-VHAKERCTSA-N 2 0 289.398 2.777 20 0 CFADRP CC1CCC(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000521254588 383292377 /nfs/dbraw/zinc/29/23/77/383292377.db2.gz NUYSLVNSMCURRS-UHFFFAOYSA-N 2 0 294.483 2.639 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)C1 ZINC000449439223 383293715 /nfs/dbraw/zinc/29/37/15/383293715.db2.gz ULYUTMUFUUXCQZ-BHYGNILZSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000459794879 383298212 /nfs/dbraw/zinc/29/82/12/383298212.db2.gz UUUIZSHNEXEGCI-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000567674204 383300558 /nfs/dbraw/zinc/30/05/58/383300558.db2.gz COQCYOBQRZHRQV-RKTXRCNFSA-N 2 0 273.424 2.967 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000567674202 383300778 /nfs/dbraw/zinc/30/07/78/383300778.db2.gz COQCYOBQRZHRQV-MWQQHZPXSA-N 2 0 273.424 2.967 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1(CO)CCC1 ZINC000339735721 383301904 /nfs/dbraw/zinc/30/19/04/383301904.db2.gz BKJKNUCWRNCQOY-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000634684833 383314675 /nfs/dbraw/zinc/31/46/75/383314675.db2.gz ANECZYUDDRQCRY-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000248997767 383316400 /nfs/dbraw/zinc/31/64/00/383316400.db2.gz PKAMDYHSNRUXRA-HQSKLWIPSA-N 2 0 293.499 2.712 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000249030740 383318098 /nfs/dbraw/zinc/31/80/98/383318098.db2.gz BESWWOKXEBEMBQ-BZZMCLGOSA-N 2 0 288.435 2.522 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cs2)[C@@H](C)C1 ZINC000449481266 383322091 /nfs/dbraw/zinc/32/20/91/383322091.db2.gz RVOIETFETBZMOS-JSGCOSHPSA-N 2 0 252.427 2.876 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249101130 383326766 /nfs/dbraw/zinc/32/67/66/383326766.db2.gz NQOIPHUKJWSYBQ-TWMKSMIVSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251613256 383391175 /nfs/dbraw/zinc/39/11/75/383391175.db2.gz DNZSDIBBCLJODV-GXFFZTMASA-N 2 0 272.314 2.875 20 0 CFADRP CC[NH+](CC)[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000340284877 383403955 /nfs/dbraw/zinc/40/39/55/383403955.db2.gz BRVMRQRUARVKPL-IRXDYDNUSA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340285218 383404024 /nfs/dbraw/zinc/40/40/24/383404024.db2.gz NZMCRAGOVIDBTE-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+](CC)[C@@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000340284874 383404036 /nfs/dbraw/zinc/40/40/36/383404036.db2.gz BRVMRQRUARVKPL-IAGOWNOFSA-N 2 0 281.488 2.665 20 0 CFADRP FC1(F)CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000340288371 383406464 /nfs/dbraw/zinc/40/64/64/383406464.db2.gz IYGTYGYIYFHTDW-KBPBESRZSA-N 2 0 272.383 2.840 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000568499550 383408595 /nfs/dbraw/zinc/40/85/95/383408595.db2.gz SJXIRUPWPDDTJW-ZDUSSCGKSA-N 2 0 250.386 2.654 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000568149036 383362034 /nfs/dbraw/zinc/36/20/34/383362034.db2.gz XNCVGNILSQJQIO-OALUTQOASA-N 2 0 284.447 2.818 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449761615 383364475 /nfs/dbraw/zinc/36/44/75/383364475.db2.gz ZGUMJKFINBUBGX-ZJIFWQFVSA-N 2 0 266.429 2.551 20 0 CFADRP CN(C)c1ncc(C[N@@H+]2CCC[C@H]2c2cccs2)n1C ZINC000425323734 383367837 /nfs/dbraw/zinc/36/78/37/383367837.db2.gz LGZRATZKNQWSKX-ZDUSSCGKSA-N 2 0 290.436 2.885 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000250524781 383376883 /nfs/dbraw/zinc/37/68/83/383376883.db2.gz WICXACXRDSZZQF-ZFWWWQNUSA-N 2 0 262.397 2.645 20 0 CFADRP c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250645798 383378591 /nfs/dbraw/zinc/37/85/91/383378591.db2.gz KQDJSIKTUYXBIV-BRWVUGGUSA-N 2 0 258.409 2.739 20 0 CFADRP COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000568237481 383379021 /nfs/dbraw/zinc/37/90/21/383379021.db2.gz AKDPKBUQGCYZAG-QEJZJMRPSA-N 2 0 277.412 2.614 20 0 CFADRP COc1cc([C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000568237480 383379410 /nfs/dbraw/zinc/37/94/10/383379410.db2.gz AKDPKBUQGCYZAG-NWANDNLSSA-N 2 0 277.412 2.614 20 0 CFADRP CSCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524758539 383382316 /nfs/dbraw/zinc/38/23/16/383382316.db2.gz FXOVNLLKRUHRRO-UHFFFAOYSA-N 2 0 258.475 2.792 20 0 CFADRP N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000568252755 383382400 /nfs/dbraw/zinc/38/24/00/383382400.db2.gz QAPBPVVVUUBWOE-BACDZXNISA-N 2 0 299.418 2.718 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000480037135 383414874 /nfs/dbraw/zinc/41/48/74/383414874.db2.gz PRNCTFDLHQEUGD-CYBMUJFWSA-N 2 0 270.461 2.946 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000568270063 383385032 /nfs/dbraw/zinc/38/50/32/383385032.db2.gz MNHSNJHFKQDETO-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425551476 383385101 /nfs/dbraw/zinc/38/51/01/383385101.db2.gz JOKPKVRNQGJSQX-DLBZAZTESA-N 2 0 292.467 2.752 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340230909 383386372 /nfs/dbraw/zinc/38/63/72/383386372.db2.gz KYPDFBHIYCUULN-ZDUSSCGKSA-N 2 0 279.403 2.993 20 0 CFADRP CC1(C)C(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000251216778 383386345 /nfs/dbraw/zinc/38/63/45/383386345.db2.gz YWXBTTYGKSAWII-STQMWFEESA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cc(F)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252667164 383425646 /nfs/dbraw/zinc/42/56/46/383425646.db2.gz FZYBWYRDFOZYPX-HOTGVXAUSA-N 2 0 262.372 2.851 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000568709002 383427783 /nfs/dbraw/zinc/42/77/83/383427783.db2.gz AXHATKBISJDDHW-VYDXJSESSA-N 2 0 276.424 2.694 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2)C1 ZINC000252715398 383430129 /nfs/dbraw/zinc/43/01/29/383430129.db2.gz VLZVUSAQPYLKDL-HIFRSBDPSA-N 2 0 264.388 2.688 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCCN1CCc2ccccc2C1 ZINC000340471512 383431178 /nfs/dbraw/zinc/43/11/78/383431178.db2.gz XQGWCWLTYVROQQ-OAHLLOKOSA-N 2 0 290.451 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000340472447 383431561 /nfs/dbraw/zinc/43/15/61/383431561.db2.gz BABXVPTZBINXSG-IRXDYDNUSA-N 3 0 281.488 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000340472446 383431957 /nfs/dbraw/zinc/43/19/57/383431957.db2.gz BABXVPTZBINXSG-IAGOWNOFSA-N 3 0 281.488 2.572 20 0 CFADRP C[C@H](F)CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000340471297 383431972 /nfs/dbraw/zinc/43/19/72/383431972.db2.gz VQKRHMNNBNJEQM-OFQRWUPVSA-N 2 0 279.403 2.630 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473316 383433153 /nfs/dbraw/zinc/43/31/53/383433153.db2.gz GYUDSJCRWTZITF-IRXDYDNUSA-N 2 0 292.471 2.618 20 0 CFADRP Cc1nc(C)c(C[NH2+]C2CCC([NH+](C)C)CC2)s1 ZINC000428248870 383436913 /nfs/dbraw/zinc/43/69/13/383436913.db2.gz WSNNOMOVAZGFCF-UHFFFAOYSA-N 2 0 267.442 2.722 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000450498930 383439085 /nfs/dbraw/zinc/43/90/85/383439085.db2.gz HRGXUTKYEDULPV-KURKYZTESA-N 2 0 293.499 2.665 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000568823811 383439236 /nfs/dbraw/zinc/43/92/36/383439236.db2.gz PNMKNXRFZLPGLU-MGPQQGTHSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000340495166 383442462 /nfs/dbraw/zinc/44/24/62/383442462.db2.gz DSSWMOANBWIBHV-CVEARBPZSA-N 2 0 292.471 2.618 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC000483302557 383444745 /nfs/dbraw/zinc/44/47/45/383444745.db2.gz BCOSVEFJQTWENZ-QGZVFWFLSA-N 2 0 295.515 2.820 20 0 CFADRP Fc1ccc([C@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991785 383446635 /nfs/dbraw/zinc/44/66/35/383446635.db2.gz RJWZJDQXQIQLSC-DSSZZKGTSA-N 2 0 260.356 2.715 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340508952 383448739 /nfs/dbraw/zinc/44/87/39/383448739.db2.gz IVFIRBSUJSZPBL-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)CC(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000527100353 383452948 /nfs/dbraw/zinc/45/29/48/383452948.db2.gz YRXWYWCQUUFUHV-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000568974416 383455843 /nfs/dbraw/zinc/45/58/43/383455843.db2.gz QMBKJTHIDKXHHC-QAPCUYQASA-N 2 0 290.451 2.994 20 0 CFADRP CCCOc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000635000165 383457463 /nfs/dbraw/zinc/45/74/63/383457463.db2.gz IJDKPYIIQVKZRZ-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP FC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000635001941 383458583 /nfs/dbraw/zinc/45/85/83/383458583.db2.gz JNNOIWUHOHJXFG-CLWVCHIJSA-N 2 0 280.362 2.814 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635002760 383458905 /nfs/dbraw/zinc/45/89/05/383458905.db2.gz YXAIXKSXUOTLIU-MDZLAQPJSA-N 2 0 289.379 2.715 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000635002958 383459490 /nfs/dbraw/zinc/45/94/90/383459490.db2.gz CJMUUKMHKMHZRC-RZCHIYRCSA-N 2 0 284.350 2.510 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000635003144 383459645 /nfs/dbraw/zinc/45/96/45/383459645.db2.gz ABOKUVPRCYFNET-QEJZJMRPSA-N 2 0 291.443 2.533 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000635004127 383460864 /nfs/dbraw/zinc/46/08/64/383460864.db2.gz GZKJKJJXOMHEBC-GVXVVHGQSA-N 2 0 297.830 2.912 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000635004419 383461079 /nfs/dbraw/zinc/46/10/79/383461079.db2.gz DILNDUYYHIYKMF-GJZGRUSLSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000635005779 383461739 /nfs/dbraw/zinc/46/17/39/383461739.db2.gz KHQFVRKTAAGGMW-UVBJJODRSA-N 2 0 278.827 2.914 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635006046 383462005 /nfs/dbraw/zinc/46/20/05/383462005.db2.gz AOCPTWOGPLLTAP-KRWDZBQOSA-N 2 0 294.402 2.591 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1N(C)C ZINC000635007141 383462980 /nfs/dbraw/zinc/46/29/80/383462980.db2.gz USAYEKZQWPTYEL-RBSFLKMASA-N 2 0 275.440 2.921 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000635006500 383463111 /nfs/dbraw/zinc/46/31/11/383463111.db2.gz YZASOHLVIGWBEU-BHDSKKPTSA-N 2 0 288.794 2.618 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cncc(F)c1 ZINC000635007821 383464536 /nfs/dbraw/zinc/46/45/36/383464536.db2.gz PKLQDWLEMIAGRQ-SUMWQHHRSA-N 2 0 287.382 2.831 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1(C)C ZINC000635009716 383465434 /nfs/dbraw/zinc/46/54/34/383465434.db2.gz HSZISBZJWBKUQD-BFHYXJOUSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010902 383467154 /nfs/dbraw/zinc/46/71/54/383467154.db2.gz LHDGXPTWQUESQB-CMPLNLGQSA-N 2 0 267.442 2.880 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C12CCC2 ZINC000635012362 383467830 /nfs/dbraw/zinc/46/78/30/383467830.db2.gz TUEXVGZTMAMSRL-RBSFLKMASA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cncs1 ZINC000635012010 383468144 /nfs/dbraw/zinc/46/81/44/383468144.db2.gz SIPAXFBKZDZCPU-LLVKDONJSA-N 2 0 273.405 2.640 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000635011789 383468295 /nfs/dbraw/zinc/46/82/95/383468295.db2.gz HQZWIASUJUJFAT-ZOLYEBIHSA-N 2 0 276.346 2.838 20 0 CFADRP [NH3+][C@H]1C[C@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000635011571 383468535 /nfs/dbraw/zinc/46/85/35/383468535.db2.gz QWYXGQUIUPHUIA-OALUTQOASA-N 2 0 293.414 2.567 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000635011786 383468625 /nfs/dbraw/zinc/46/86/25/383468625.db2.gz HQZWIASUJUJFAT-OBPIAQAESA-N 2 0 276.346 2.838 20 0 CFADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2)cc1 ZINC000635013130 383469842 /nfs/dbraw/zinc/46/98/42/383469842.db2.gz QSVASXCVDSQSME-FUHWJXTLSA-N 2 0 289.467 2.676 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2cccnc2c1)[C@H]1CCC[NH2+]C1 ZINC000635015469 383471686 /nfs/dbraw/zinc/47/16/86/383471686.db2.gz BJHGQTAATGPUNY-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2cccnc2c1)[C@@H]1CCC[NH2+]C1 ZINC000635015475 383471758 /nfs/dbraw/zinc/47/17/58/383471758.db2.gz BJHGQTAATGPUNY-CZUORRHYSA-N 2 0 269.392 2.713 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000428464159 383478864 /nfs/dbraw/zinc/47/88/64/383478864.db2.gz TYSKMYZEZVZIFX-XYJFISCASA-N 2 0 290.451 2.912 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@H]2CCCC[NH+]2C(C)C)C[C@H]1C ZINC000450641447 383479653 /nfs/dbraw/zinc/47/96/53/383479653.db2.gz NSMAVDMCJKZZRH-IXDOHACOSA-N 2 0 281.488 2.664 20 0 CFADRP Cc1oc(-c2cccs2)nc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261714884 383545937 /nfs/dbraw/zinc/54/59/37/383545937.db2.gz JQZJFDVKKWJFMH-HNNXBMFYSA-N 2 0 291.420 2.882 20 0 CFADRP CC[C@@H](C)c1nnc([C@@H](C)NC2CC[NH+](C(C)C)CC2)[nH]1 ZINC000488470019 383547745 /nfs/dbraw/zinc/54/77/45/383547745.db2.gz ZZBXGYQXJZRJGJ-CHWSQXEVSA-N 2 0 293.459 2.842 20 0 CFADRP C[C@@H](CNCc1ccc2c(n1)CCC2)C[NH+]1CCCCC1 ZINC000569905210 383548224 /nfs/dbraw/zinc/54/82/24/383548224.db2.gz AASATTJPAAMHHT-HNNXBMFYSA-N 2 0 287.451 2.782 20 0 CFADRP C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261739256 383550498 /nfs/dbraw/zinc/55/04/98/383550498.db2.gz OXXYAMKRAYGZDY-HZMBPMFUSA-N 2 0 292.408 2.530 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261549591 383510048 /nfs/dbraw/zinc/51/00/48/383510048.db2.gz KRJXUDPFLSKFNT-BFHYXJOUSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000261562623 383513827 /nfs/dbraw/zinc/51/38/27/383513827.db2.gz WLFFVVLVTVYING-KGYLQXTDSA-N 2 0 250.411 2.713 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCCO2)c2ccccc21 ZINC000261569319 383514880 /nfs/dbraw/zinc/51/48/80/383514880.db2.gz MKMIQVZVMLTXQR-DAXOMENPSA-N 2 0 260.381 2.680 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2ccccc2F)C1 ZINC000569591269 383516885 /nfs/dbraw/zinc/51/68/85/383516885.db2.gz ZJDMGNOMXMJGEQ-UONOGXRCSA-N 2 0 250.361 2.618 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C[C@H]1OC ZINC000429310106 383517095 /nfs/dbraw/zinc/51/70/95/383517095.db2.gz WHBVKDFOHPHXSZ-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000429585291 383551185 /nfs/dbraw/zinc/55/11/85/383551185.db2.gz IYNIMDKXGWCKOT-XQQFMLRXSA-N 2 0 275.396 2.518 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000261590975 383522151 /nfs/dbraw/zinc/52/21/51/383522151.db2.gz UYAASEQTTGXLRC-MFKMUULPSA-N 2 0 283.213 2.537 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000569662042 383524073 /nfs/dbraw/zinc/52/40/73/383524073.db2.gz WCXKDNIEAXJXFJ-YVSFHVDLSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261595825 383525350 /nfs/dbraw/zinc/52/53/50/383525350.db2.gz OKWOYJFGSWAIGY-CVEARBPZSA-N 2 0 262.372 2.962 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261596748 383525442 /nfs/dbraw/zinc/52/54/42/383525442.db2.gz QNWXCUUSJBAXOD-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP C[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CC[NH+](C2CCC2)C1 ZINC000429400971 383527348 /nfs/dbraw/zinc/52/73/48/383527348.db2.gz FBQOUZXOSSNEPL-DLBZAZTESA-N 2 0 293.499 2.667 20 0 CFADRP C[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000429405464 383529448 /nfs/dbraw/zinc/52/94/48/383529448.db2.gz WIOTYVFPUAUOPR-KRWDZBQOSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000261617124 383529858 /nfs/dbraw/zinc/52/98/58/383529858.db2.gz BXAKDUZXOBTIPY-SFHVURJKSA-N 2 0 281.403 2.919 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488417867 383533630 /nfs/dbraw/zinc/53/36/30/383533630.db2.gz SFJVRZWMLGVLJU-FRRDWIJNSA-N 2 0 258.475 2.836 20 0 CFADRP Cc1ccc(C(=O)C2CC[NH+](CCC[NH3+])CC2)c(C)c1 ZINC000569790876 383537195 /nfs/dbraw/zinc/53/71/95/383537195.db2.gz BGJSJWKRZWCGQJ-UHFFFAOYSA-N 2 0 274.408 2.547 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000569802177 383538375 /nfs/dbraw/zinc/53/83/75/383538375.db2.gz FPCARDPFKLSHGG-AWEZNQCLSA-N 2 0 292.423 2.887 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000488442878 383539968 /nfs/dbraw/zinc/53/99/68/383539968.db2.gz UTGKKEZPHSIGKG-NJAFHUGGSA-N 2 0 272.436 2.797 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000261686966 383542222 /nfs/dbraw/zinc/54/22/22/383542222.db2.gz MYIDENLKBAHLNG-GOSISDBHSA-N 2 0 284.403 2.889 20 0 CFADRP CC(C)C1CC(Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000488448320 383542522 /nfs/dbraw/zinc/54/25/22/383542522.db2.gz ZKTAVWIJJONBIU-UHFFFAOYSA-N 2 0 288.439 2.680 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488450249 383544187 /nfs/dbraw/zinc/54/41/87/383544187.db2.gz RQJFOIZPNSKHNG-UONOGXRCSA-N 2 0 258.475 2.838 20 0 CFADRP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261868869 383573003 /nfs/dbraw/zinc/57/30/03/383573003.db2.gz YRWMBQWZKADSKW-STQMWFEESA-N 2 0 284.325 2.747 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C12CCCC2 ZINC000450974530 383574418 /nfs/dbraw/zinc/57/44/18/383574418.db2.gz VXYJMKQKQBHDOV-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC[NH2+]C1 ZINC000261894770 383577086 /nfs/dbraw/zinc/57/70/86/383577086.db2.gz UTAWMAPXAHTNLM-IAGOWNOFSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430916718 383611339 /nfs/dbraw/zinc/61/13/39/383611339.db2.gz HURNKLPCILNJSG-WFASDCNBSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000341134693 383579038 /nfs/dbraw/zinc/57/90/38/383579038.db2.gz XRLJADLKFCMADB-SJORKVTESA-N 2 0 295.515 2.771 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc3ccccc3n2)C1 ZINC000570174603 383579269 /nfs/dbraw/zinc/57/92/69/383579269.db2.gz BTJZTHNVDHEACW-HOCLYGCPSA-N 2 0 269.392 2.637 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)C1 ZINC000570226641 383585171 /nfs/dbraw/zinc/58/51/71/383585171.db2.gz OZGPFUQWVORIGW-CHWSQXEVSA-N 2 0 268.788 2.578 20 0 CFADRP Cc1nc2ccc(CN3CC[C@@H]([NH3+])[C@@H](C)C3)cc2s1 ZINC000261951862 383586245 /nfs/dbraw/zinc/58/62/45/383586245.db2.gz OAIINUUAJMSTRZ-GXFFZTMASA-N 2 0 275.421 2.774 20 0 CFADRP c1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccn2)cc1 ZINC000262201751 383611847 /nfs/dbraw/zinc/61/18/47/383611847.db2.gz KMORLYDVSZRGBA-GOSISDBHSA-N 2 0 281.403 2.760 20 0 CFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000261984153 383589694 /nfs/dbraw/zinc/58/96/94/383589694.db2.gz JMYDYNQTIKWRHC-ZWKOTPCHSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261981914 383589983 /nfs/dbraw/zinc/58/99/83/383589983.db2.gz JIFPXWWKRSFTDU-DLBZAZTESA-N 2 0 276.399 2.789 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262013841 383595257 /nfs/dbraw/zinc/59/52/57/383595257.db2.gz VJWKERAZFAHGHS-QRTARXTBSA-N 2 0 276.399 2.947 20 0 CFADRP [NH3+][C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000262022840 383596324 /nfs/dbraw/zinc/59/63/24/383596324.db2.gz RRAXMSDDXXJGID-DLBZAZTESA-N 2 0 270.351 2.752 20 0 CFADRP C[C@H](C[NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000262037033 383597495 /nfs/dbraw/zinc/59/74/95/383597495.db2.gz XUQIGSOWBJRESV-VCANKDNSSA-N 2 0 250.361 2.789 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000262048814 383599698 /nfs/dbraw/zinc/59/96/98/383599698.db2.gz ZJKQAPUUJSFWJN-HNNXBMFYSA-N 2 0 298.434 2.740 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000430760443 383599985 /nfs/dbraw/zinc/59/99/85/383599985.db2.gz IUZZSVDGFSQTFK-AVGNSLFASA-N 2 0 260.372 2.742 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000570442168 383604190 /nfs/dbraw/zinc/60/41/90/383604190.db2.gz WEPMAQOKGLEPHA-MRXNPFEDSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262131885 383607040 /nfs/dbraw/zinc/60/70/40/383607040.db2.gz YGOOUKDKNAGKLA-WMZOPIPTSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@]1(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000262130351 383607810 /nfs/dbraw/zinc/60/78/10/383607810.db2.gz YBQOFTCSKAYAEV-QGZVFWFLSA-N 2 0 292.398 2.669 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCSCc3ccccc3)C[C@@H]21 ZINC000261753434 383553471 /nfs/dbraw/zinc/55/34/71/383553471.db2.gz CHMUCZXYQUAACI-IXDOHACOSA-N 2 0 290.476 2.979 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)CC[NH2+]C1 ZINC000261765730 383555192 /nfs/dbraw/zinc/55/51/92/383555192.db2.gz LYLLMNMQEYJPEO-IAGOWNOFSA-N 2 0 273.424 2.998 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488528278 383555459 /nfs/dbraw/zinc/55/54/59/383555459.db2.gz APKYMDWSWLLXJO-GDBMZVCRSA-N 2 0 273.424 2.886 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423292170 532995333 /nfs/dbraw/zinc/99/53/33/532995333.db2.gz LTWGDBWQCYWWMJ-KHYOSLBOSA-N 2 0 297.446 2.754 20 0 CFADRP CC(C)(C)c1ncc(CN2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261784716 383560086 /nfs/dbraw/zinc/56/00/86/383560086.db2.gz NDSQHMATMUGMLU-AWEZNQCLSA-N 2 0 267.442 2.611 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000570097777 383570963 /nfs/dbraw/zinc/57/09/63/383570963.db2.gz KZHTZKRKYXGIBH-UHFFFAOYSA-N 2 0 290.436 2.699 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000263103876 383654718 /nfs/dbraw/zinc/65/47/18/383654718.db2.gz ZSHQQLRRWAKWNX-DOTOQJQBSA-N 2 0 289.423 2.642 20 0 CFADRP CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430957912 383615882 /nfs/dbraw/zinc/61/58/82/383615882.db2.gz QUYYFWGJGLBGJU-UHFFFAOYSA-N 2 0 274.408 2.661 20 0 CFADRP COCC[N@H+](CC1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000262315420 383616600 /nfs/dbraw/zinc/61/66/00/383616600.db2.gz ZRFCDFXVPVNTQM-OAHLLOKOSA-N 2 0 276.424 2.696 20 0 CFADRP C[NH2+]C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000430956066 383616906 /nfs/dbraw/zinc/61/69/06/383616906.db2.gz JTGBYDCPBSLZMI-UHFFFAOYSA-N 2 0 266.816 2.956 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000572056303 383750960 /nfs/dbraw/zinc/75/09/60/383750960.db2.gz WXTHRDIMCOFMTG-JKSUJKDBSA-N 2 0 276.424 2.884 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415091999 533007307 /nfs/dbraw/zinc/00/73/07/533007307.db2.gz RRCPMPJYUFFCLI-HZSPNIEDSA-N 2 0 262.397 2.734 20 0 CFADRP Cc1cnccc1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000645808580 383755806 /nfs/dbraw/zinc/75/58/06/383755806.db2.gz YIUVLFOTSBLQAT-QGZVFWFLSA-N 2 0 275.440 2.739 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000645808528 383755936 /nfs/dbraw/zinc/75/59/36/383755936.db2.gz VCBQXQCAIHNMQB-IAGOWNOFSA-N 2 0 280.456 2.611 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@@H]2CCOC2)C[C@@H]1C ZINC000645811906 383756735 /nfs/dbraw/zinc/75/67/35/383756735.db2.gz WONCCMOHWLIBTM-XHSDSOJGSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCOC2)C[C@H]1C ZINC000645811905 383757049 /nfs/dbraw/zinc/75/70/49/383757049.db2.gz WONCCMOHWLIBTM-PMPSAXMXSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C(C)(C)C ZINC000572393811 383779466 /nfs/dbraw/zinc/77/94/66/383779466.db2.gz YXYMUTHESALMNH-SJORKVTESA-N 2 0 292.467 2.546 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C(C)(C)C ZINC000453102613 383766776 /nfs/dbraw/zinc/76/67/76/383766776.db2.gz QDTVOSUXCCKYSG-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2=CCCC2)[C@@H](C)C1 ZINC000645860903 383773004 /nfs/dbraw/zinc/77/30/04/383773004.db2.gz OWZOCKJCEQRMNJ-DOTOQJQBSA-N 2 0 280.456 2.823 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435432572 383774588 /nfs/dbraw/zinc/77/45/88/383774588.db2.gz NTFDMTGLXHAEEG-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H](CO)C(C)C ZINC000451600511 383665454 /nfs/dbraw/zinc/66/54/54/383665454.db2.gz RYHOKLUHTSZYKA-DLBZAZTESA-N 2 0 284.488 2.741 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000571106075 383665668 /nfs/dbraw/zinc/66/56/68/383665668.db2.gz WCWFOTDPNHVQHA-QLFBSQMISA-N 2 0 279.428 2.522 20 0 CFADRP c1csc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000571220765 383673872 /nfs/dbraw/zinc/67/38/72/383673872.db2.gz AEYHMINPQJQKGE-GFCCVEGCSA-N 2 0 290.436 2.618 20 0 CFADRP CCn1ccnc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000453223327 383806856 /nfs/dbraw/zinc/80/68/56/383806856.db2.gz MGSIPVWNWHLVIK-OAHLLOKOSA-N 2 0 278.444 2.820 20 0 CFADRP CCOC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572728440 383811621 /nfs/dbraw/zinc/81/16/21/383811621.db2.gz OWRWZESUMAZYDI-INIZCTEOSA-N 2 0 288.435 2.581 20 0 CFADRP Cc1ccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000572763369 383814882 /nfs/dbraw/zinc/81/48/82/383814882.db2.gz WRPNDLQQTQGFMC-KRWDZBQOSA-N 2 0 258.409 2.784 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)C[NH+](C)C ZINC000453248879 383815258 /nfs/dbraw/zinc/81/52/58/383815258.db2.gz XTGQVUZVLWRONQ-CABCVRRESA-N 2 0 263.429 2.580 20 0 CFADRP COc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640532664 383818221 /nfs/dbraw/zinc/81/82/21/383818221.db2.gz HJLLYHKGPANRGN-UHFFFAOYSA-N 2 0 291.439 2.788 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1ccccn1 ZINC000640531403 383818917 /nfs/dbraw/zinc/81/89/17/383818917.db2.gz HSFROTVLXSUBJJ-UHFFFAOYSA-N 2 0 275.440 2.822 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533081 383819752 /nfs/dbraw/zinc/81/97/52/383819752.db2.gz BXUNGKIWQVYDAQ-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP CCn1nccc1CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533164 383819946 /nfs/dbraw/zinc/81/99/46/383819946.db2.gz DLUQFJJJHOAJBD-UHFFFAOYSA-N 2 0 292.471 2.643 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)s1 ZINC000572510402 383788594 /nfs/dbraw/zinc/78/85/94/383788594.db2.gz DMIBDBIXQWFONX-SNVBAGLBSA-N 2 0 267.442 2.664 20 0 CFADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000436247927 383791690 /nfs/dbraw/zinc/79/16/90/383791690.db2.gz AAWLGSPNZULUSX-UHFFFAOYSA-N 2 0 291.439 2.836 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccsc2)CC[N@@H+]1C ZINC000436255234 383793407 /nfs/dbraw/zinc/79/34/07/383793407.db2.gz WTYSMOZVIIYVRM-SMDDNHRTSA-N 2 0 290.436 2.711 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)OC ZINC000453299428 383841841 /nfs/dbraw/zinc/84/18/41/383841841.db2.gz VKKJGWOOHGRFBR-OTJKEOIZSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCc2ccccc2OC1)C1CC1 ZINC000453390163 383849963 /nfs/dbraw/zinc/84/99/63/383849963.db2.gz CZKMPSBDVIRHNV-INIZCTEOSA-N 2 0 288.435 2.844 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2)cc1F ZINC000572974832 383851145 /nfs/dbraw/zinc/85/11/45/383851145.db2.gz AQUKWXZIZYNAOD-APIJFGDWSA-N 2 0 292.398 2.940 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000572982338 383853286 /nfs/dbraw/zinc/85/32/86/383853286.db2.gz SPTAMIIGTSDYFR-IAGOWNOFSA-N 2 0 278.440 2.676 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000453590188 383863165 /nfs/dbraw/zinc/86/31/65/383863165.db2.gz AYFDUQAHPRTXNP-HIFRSBDPSA-N 2 0 270.486 2.981 20 0 CFADRP COC1(C[NH2+]CCCC[N@H+](C)C2CC2)CCCCC1 ZINC000453591480 383863287 /nfs/dbraw/zinc/86/32/87/383863287.db2.gz CGKFHHMTKAHZAF-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC000453593780 383865904 /nfs/dbraw/zinc/86/59/04/383865904.db2.gz HREJMQAJNIJLEX-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103141 383871737 /nfs/dbraw/zinc/87/17/37/383871737.db2.gz DSPKOEAEPZJEQC-OAHLLOKOSA-N 2 0 274.408 2.544 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104264 383873177 /nfs/dbraw/zinc/87/31/77/383873177.db2.gz FPVFZHMMMIQNPU-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000573137184 383877950 /nfs/dbraw/zinc/87/79/50/383877950.db2.gz GIFRFXLDGRCTIZ-PWXKEOIMSA-N 2 0 292.423 2.631 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)[C@@H]1CC1(C)C ZINC000572856248 383829714 /nfs/dbraw/zinc/82/97/14/383829714.db2.gz HKAPRZRCPDUQKN-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000531716052 383910383 /nfs/dbraw/zinc/91/03/83/383910383.db2.gz WBBWPKZQNNCIAW-DZUCGIPZSA-N 2 0 258.409 2.862 20 0 CFADRP CSc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423109621 533017755 /nfs/dbraw/zinc/01/77/55/533017755.db2.gz SRPMJYPQIGPRAJ-ZWNOBZJWSA-N 2 0 268.401 2.765 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CF)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000646215070 383920655 /nfs/dbraw/zinc/92/06/55/383920655.db2.gz UWHKXXNXSMKYJD-SQWLQELKSA-N 2 0 264.388 2.845 20 0 CFADRP CC(C)OC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000531616989 383898532 /nfs/dbraw/zinc/89/85/32/383898532.db2.gz RVALOWNDRNNXNA-HNNXBMFYSA-N 2 0 268.445 2.750 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000532195639 383989316 /nfs/dbraw/zinc/98/93/16/383989316.db2.gz VSZNNWZBIYYGFA-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCOCC1 ZINC000532214756 383994257 /nfs/dbraw/zinc/99/42/57/383994257.db2.gz LBFXBQXHOLMJFN-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP CCCCOc1cccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000531937117 383943037 /nfs/dbraw/zinc/94/30/37/383943037.db2.gz BZXXIPXJLZNPJC-YOEHRIQHSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438193486 383969122 /nfs/dbraw/zinc/96/91/22/383969122.db2.gz VJJVBDKOXDFZLS-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000070346722 412971863 /nfs/dbraw/zinc/97/18/63/412971863.db2.gz FIVIVIPKWFNUIE-TZMCWYRMSA-N 2 0 268.445 2.843 20 0 CFADRP Cc1cnccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000574126448 384045454 /nfs/dbraw/zinc/04/54/54/384045454.db2.gz JNGBGUQLUUSQTI-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000532620344 384051878 /nfs/dbraw/zinc/05/18/78/384051878.db2.gz SSINPOZPROACGF-QWHCGFSZSA-N 2 0 252.446 2.989 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000574397701 384090122 /nfs/dbraw/zinc/09/01/22/384090122.db2.gz HWFGZYICWRGMOS-QBPKDAKJSA-N 2 0 292.467 2.798 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000574171314 384056846 /nfs/dbraw/zinc/05/68/46/384056846.db2.gz VWUIYWRLPTZXMT-TWMKSMIVSA-N 2 0 292.398 2.905 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000574171310 384057165 /nfs/dbraw/zinc/05/71/65/384057165.db2.gz VWUIYWRLPTZXMT-LTIDMASMSA-N 2 0 292.398 2.905 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2cccnc2)C1 ZINC000574200084 384060415 /nfs/dbraw/zinc/06/04/15/384060415.db2.gz JRFLIRZOHIOLQT-DLBZAZTESA-N 2 0 273.424 2.745 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000574200087 384061099 /nfs/dbraw/zinc/06/10/99/384061099.db2.gz JRFLIRZOHIOLQT-SJORKVTESA-N 2 0 273.424 2.745 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](C)S1 ZINC000070387939 412975021 /nfs/dbraw/zinc/97/50/21/412975021.db2.gz ZYELNJUVHPROGP-BETUJISGSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[C@H](CO)[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000574489643 384104152 /nfs/dbraw/zinc/10/41/52/384104152.db2.gz XKFMXWLZNCLHQD-ULQDDVLXSA-N 2 0 284.488 2.740 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000574413362 384094257 /nfs/dbraw/zinc/09/42/57/384094257.db2.gz GCWOUPVPRXXKGK-QKPAOTATSA-N 2 0 281.488 2.602 20 0 CFADRP Cc1ccoc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000266223280 384121074 /nfs/dbraw/zinc/12/10/74/384121074.db2.gz RSXOXELTSRVPRG-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422785821 533034987 /nfs/dbraw/zinc/03/49/87/533034987.db2.gz KBJXMVDXTPVPLY-WLYUNCDWSA-N 2 0 292.423 2.570 20 0 CFADRP Cc1cc(C)c([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c(C)c1 ZINC000071148615 412977490 /nfs/dbraw/zinc/97/74/90/412977490.db2.gz LBYXAALSLQTBQV-QGZVFWFLSA-N 2 0 289.467 2.510 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000281112084 195109742 /nfs/dbraw/zinc/10/97/42/195109742.db2.gz CKGOLBMKWNKNEP-INIZCTEOSA-N 2 0 292.398 2.897 20 0 CFADRP C[C@H]1CCN(c2ccncc2F)C[C@H]1n1ccnc1 ZINC000641435469 384191607 /nfs/dbraw/zinc/19/16/07/384191607.db2.gz IPWYYPWFJVGANA-SMDDNHRTSA-N 2 0 260.316 2.505 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000637808355 384198111 /nfs/dbraw/zinc/19/81/11/384198111.db2.gz CFLMZIYJMSRPBH-UHFFFAOYSA-N 2 0 291.439 2.713 20 0 CFADRP CO[C@@](C)(C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000637888285 384250569 /nfs/dbraw/zinc/25/05/69/384250569.db2.gz GTRNCJKJTJZKAL-INIZCTEOSA-N 2 0 268.445 2.606 20 0 CFADRP CSc1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000641706856 384278083 /nfs/dbraw/zinc/27/80/83/384278083.db2.gz FSZPPDADPMCDKL-NSHDSACASA-N 2 0 266.410 2.575 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641737616 384306459 /nfs/dbraw/zinc/30/64/59/384306459.db2.gz YNCHEXMCROAMON-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000641741687 384307231 /nfs/dbraw/zinc/30/72/31/384307231.db2.gz PDJMPADBACOQBB-ATLSCFEFSA-N 2 0 294.483 2.923 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641707953 384280007 /nfs/dbraw/zinc/28/00/07/384280007.db2.gz TYLKDOSVLQIKPE-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641707954 384280026 /nfs/dbraw/zinc/28/00/26/384280026.db2.gz TYLKDOSVLQIKPE-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](CNCc1cc(Cl)cc(Cl)c1N)C[NH+](C)C ZINC000641756135 384321843 /nfs/dbraw/zinc/32/18/43/384321843.db2.gz CCSXTBAGSFCEDB-SECBINFHSA-N 2 0 290.238 2.863 20 0 CFADRP C[C@H]1Cc2ccccc2N1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000641806104 384374094 /nfs/dbraw/zinc/37/40/94/384374094.db2.gz CDDCLCQIWIVYKO-JKSUJKDBSA-N 2 0 299.462 2.512 20 0 CFADRP CC[N@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000641797320 384362054 /nfs/dbraw/zinc/36/20/54/384362054.db2.gz ARJPOTBXIHIGQG-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000641799169 384364814 /nfs/dbraw/zinc/36/48/14/384364814.db2.gz NLKNKFSJBCEGMJ-QGZVFWFLSA-N 2 0 285.391 2.821 20 0 CFADRP CCCc1nc(C)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000641798634 384365714 /nfs/dbraw/zinc/36/57/14/384365714.db2.gz OVHYDAOXHLWDRN-GJZGRUSLSA-N 2 0 291.439 2.900 20 0 CFADRP COc1cccc(SCC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000641801951 384369842 /nfs/dbraw/zinc/36/98/42/384369842.db2.gz WJTOXYIEPCFEPE-KBPBESRZSA-N 2 0 280.437 2.503 20 0 CFADRP CSc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802553 384371211 /nfs/dbraw/zinc/37/12/11/384371211.db2.gz MOIHMIBSOJKURV-OLZOCXBDSA-N 2 0 250.411 2.624 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000267235365 384331978 /nfs/dbraw/zinc/33/19/78/384331978.db2.gz LTGOUOWBSHVSRF-HNNXBMFYSA-N 2 0 298.430 2.947 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000267235369 384332256 /nfs/dbraw/zinc/33/22/56/384332256.db2.gz LTGOUOWBSHVSRF-OAHLLOKOSA-N 2 0 298.430 2.947 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC000638077914 384396419 /nfs/dbraw/zinc/39/64/19/384396419.db2.gz YHCKGDDGHPSUAC-OAHLLOKOSA-N 2 0 276.424 2.728 20 0 CFADRP CCC[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000638105299 384418884 /nfs/dbraw/zinc/41/88/84/384418884.db2.gz RBOHFYZHUZVSLQ-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C(C)(C)C1 ZINC000267396749 384378464 /nfs/dbraw/zinc/37/84/64/384378464.db2.gz PTZNGRVHFDMMIP-CYBMUJFWSA-N 2 0 270.380 2.888 20 0 CFADRP Cc1cccc(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277701326 384379918 /nfs/dbraw/zinc/37/99/18/384379918.db2.gz IAMYSXKYNRNMPK-QGZVFWFLSA-N 2 0 290.451 2.894 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3nccnc3c2)CCN1C ZINC000638118315 384430826 /nfs/dbraw/zinc/43/08/26/384430826.db2.gz XDTYXZAWRNKWCU-ZFWWWQNUSA-N 2 0 284.407 2.544 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000638120542 384434266 /nfs/dbraw/zinc/43/42/66/384434266.db2.gz AFDQLOWKOZELGI-HNNXBMFYSA-N 2 0 270.486 2.793 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000638125153 384438157 /nfs/dbraw/zinc/43/81/57/384438157.db2.gz IJJDTGOPSOWISD-OAHLLOKOSA-N 2 0 291.439 2.759 20 0 CFADRP CO[C@](C)(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000638177180 384471605 /nfs/dbraw/zinc/47/16/05/384471605.db2.gz ANHKHPIWGRCBIP-JCGIZDLHSA-N 2 0 292.467 2.750 20 0 CFADRP CCC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000638178138 384472703 /nfs/dbraw/zinc/47/27/03/384472703.db2.gz FYOQFVXLMZXECI-UAGQMJEPSA-N 2 0 280.456 2.750 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC2CCC([NH3+])CC2)c1C ZINC000642998817 384473567 /nfs/dbraw/zinc/47/35/67/384473567.db2.gz MYRLELOQXOENJU-UHFFFAOYSA-N 2 0 269.392 2.955 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000638181880 384475892 /nfs/dbraw/zinc/47/58/92/384475892.db2.gz ZDMCXEIWILNEDS-CRAIPNDOSA-N 2 0 296.418 2.546 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@H]21 ZINC000638181881 384476189 /nfs/dbraw/zinc/47/61/89/384476189.db2.gz ZDMCXEIWILNEDS-MAUKXSAKSA-N 2 0 296.418 2.546 20 0 CFADRP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000638186488 384479500 /nfs/dbraw/zinc/47/95/00/384479500.db2.gz VEMXHNYAIQWVFD-OKILXGFUSA-N 2 0 270.351 2.630 20 0 CFADRP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c2cc(F)ccc2[nH+]1 ZINC000643030509 384479488 /nfs/dbraw/zinc/47/94/88/384479488.db2.gz WLUCVVZBZVKJMI-QWHCGFSZSA-N 2 0 273.355 2.786 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000643056218 384488613 /nfs/dbraw/zinc/48/86/13/384488613.db2.gz CYKCJWHCTDTWMW-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc2c(n1)CCCC2 ZINC000278180481 384492253 /nfs/dbraw/zinc/49/22/53/384492253.db2.gz BMECTSRZUIQFTE-GLJUWKHASA-N 2 0 287.451 2.779 20 0 CFADRP CO[C@](C)(C[NH2+]CCC[NH+]1CCC(C)CC1)C1CC1 ZINC000638306587 384547560 /nfs/dbraw/zinc/54/75/60/384547560.db2.gz OLDOFVMVPNSGBR-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000638360612 384584990 /nfs/dbraw/zinc/58/49/90/384584990.db2.gz XIEQCZAPYZGAPW-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)C[NH+]1CCCCC1 ZINC000638389879 384614666 /nfs/dbraw/zinc/61/46/66/384614666.db2.gz GWXJITBTUWBGKP-FRRDWIJNSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@H]1CC1(F)F)C[NH+]1CCCCC1 ZINC000638389880 384615658 /nfs/dbraw/zinc/61/56/58/384615658.db2.gz GWXJITBTUWBGKP-JHJVBQTASA-N 2 0 260.372 2.742 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000638366252 384591774 /nfs/dbraw/zinc/59/17/74/384591774.db2.gz LZLDLQMSTTZNMM-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000638366587 384593459 /nfs/dbraw/zinc/59/34/59/384593459.db2.gz OZXGPWSOZRFYEV-WBVHZDCISA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC(n2cccn2)C1 ZINC000638366797 384593486 /nfs/dbraw/zinc/59/34/86/384593486.db2.gz RQIDRHLFZFRRJS-GTPINHCMSA-N 2 0 290.455 2.831 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000643346041 384599140 /nfs/dbraw/zinc/59/91/40/384599140.db2.gz UTBFOIHJFLORKB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000278834958 384599849 /nfs/dbraw/zinc/59/98/49/384599849.db2.gz UHVWYPXNZCDPAT-KRWDZBQOSA-N 2 0 271.408 2.785 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC12CCSCC2)C1CC[NH+](C)CC1 ZINC000643349294 384602433 /nfs/dbraw/zinc/60/24/33/384602433.db2.gz OEMHIHMXDGSIIU-DZGCQCFKSA-N 2 0 282.497 2.840 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000643497749 384663468 /nfs/dbraw/zinc/66/34/68/384663468.db2.gz ZRJZDLNQKDJNCM-INIZCTEOSA-N 2 0 262.372 2.792 20 0 CFADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000643499606 384664927 /nfs/dbraw/zinc/66/49/27/384664927.db2.gz GLVNLJJNJHWQBN-IBGZPJMESA-N 2 0 297.446 2.786 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638450787 384667930 /nfs/dbraw/zinc/66/79/30/384667930.db2.gz HOKVGRONHQSVOL-KRWDZBQOSA-N 2 0 290.451 2.963 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000643503473 384673952 /nfs/dbraw/zinc/67/39/52/384673952.db2.gz CBIHQXLODGKUMA-QGTPRVQTSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000643455967 384634868 /nfs/dbraw/zinc/63/48/68/384634868.db2.gz FQQNBOVVVOFNKL-GOEBONIOSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000643453238 384635023 /nfs/dbraw/zinc/63/50/23/384635023.db2.gz RKQWQUKBRSWGLQ-RWMBFGLXSA-N 2 0 297.393 2.507 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453017 384635553 /nfs/dbraw/zinc/63/55/53/384635553.db2.gz CHMHGWUIIBFFFB-MELADBBJSA-N 2 0 295.858 2.882 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000643457098 384636950 /nfs/dbraw/zinc/63/69/50/384636950.db2.gz USTQJLBNSDGNHS-SJORKVTESA-N 2 0 260.425 2.953 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000643457580 384639630 /nfs/dbraw/zinc/63/96/30/384639630.db2.gz OPYHAJYEWVDIID-KBPBESRZSA-N 2 0 277.799 2.833 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643459401 384640016 /nfs/dbraw/zinc/64/00/16/384640016.db2.gz ZBPZDGRIWSHNHK-FMKPAKJESA-N 2 0 276.424 2.919 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000643458235 384640420 /nfs/dbraw/zinc/64/04/20/384640420.db2.gz COYWCXBAYHQRFU-AGIUHOORSA-N 2 0 250.386 2.862 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000643457533 384640852 /nfs/dbraw/zinc/64/08/52/384640852.db2.gz JFHZDXWDRCPXPB-GOEBONIOSA-N 2 0 290.451 2.951 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643457567 384640978 /nfs/dbraw/zinc/64/09/78/384640978.db2.gz NAPUVPMGGQKVTP-GJZGRUSLSA-N 2 0 290.451 2.951 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000643460241 384642500 /nfs/dbraw/zinc/64/25/00/384642500.db2.gz DKNMNEPOFQWDNB-DQYPLSBCSA-N 2 0 267.376 2.920 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000643466750 384646143 /nfs/dbraw/zinc/64/61/43/384646143.db2.gz MNQOUXPRFXVEDM-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466732 384646356 /nfs/dbraw/zinc/64/63/56/384646356.db2.gz LMDNOGYHHIWBAA-UONOGXRCSA-N 2 0 256.434 2.689 20 0 CFADRP CO[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)CC(C)C ZINC000638428267 384647535 /nfs/dbraw/zinc/64/75/35/384647535.db2.gz ZJXIVSRWUFCYJB-MRXNPFEDSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](NCC[NH2+]C1CC1)c1cc(C)ccc1OC ZINC000643507308 384675533 /nfs/dbraw/zinc/67/55/33/384675533.db2.gz YNHDJERAUHIYJF-HNNXBMFYSA-N 2 0 262.397 2.796 20 0 CFADRP Cc1occc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643472246 384652315 /nfs/dbraw/zinc/65/23/15/384652315.db2.gz KZNVPODVVYFBMR-ARFHVFGLSA-N 2 0 262.397 2.988 20 0 CFADRP COCCCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268765135 384659519 /nfs/dbraw/zinc/65/95/19/384659519.db2.gz IZZLUEUNIHHFPQ-HNNXBMFYSA-N 2 0 294.439 2.704 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000643493796 384660545 /nfs/dbraw/zinc/66/05/45/384660545.db2.gz PBGRYAXVBXEUES-ZNMIVQPWSA-N 2 0 278.440 2.979 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC1([NH3+])CCCCC1 ZINC000643496500 384661296 /nfs/dbraw/zinc/66/12/96/384661296.db2.gz KGDGCUZBALQSEZ-LBPRGKRZSA-N 2 0 252.427 2.930 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000643493844 384661950 /nfs/dbraw/zinc/66/19/50/384661950.db2.gz UWTOMCZCBRGBOF-ZVZYQTTQSA-N 2 0 290.451 2.981 20 0 CFADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000643493736 384662081 /nfs/dbraw/zinc/66/20/81/384662081.db2.gz GFWRFLZYNIZXQI-RKVPGOIHSA-N 2 0 290.451 2.994 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C2 ZINC000643545378 384724201 /nfs/dbraw/zinc/72/42/01/384724201.db2.gz GNNJBAVFNDGYLQ-SJORKVTESA-N 2 0 258.409 2.666 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546573 384724644 /nfs/dbraw/zinc/72/46/44/384724644.db2.gz RGZYMVHNDDLRSA-GDBMZVCRSA-N 2 0 256.393 2.938 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000643509253 384680274 /nfs/dbraw/zinc/68/02/74/384680274.db2.gz PMQHPBXNZVIQPK-ABAIWWIYSA-N 2 0 264.800 2.917 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000643512410 384682480 /nfs/dbraw/zinc/68/24/80/384682480.db2.gz VQVOJEXFTNQSJL-FXUDXRNXSA-N 2 0 290.455 2.553 20 0 CFADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000643511245 384682926 /nfs/dbraw/zinc/68/29/26/384682926.db2.gz CCEJMNXXQOZUSR-JQWIXIFHSA-N 2 0 277.368 2.557 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000643513872 384684420 /nfs/dbraw/zinc/68/44/20/384684420.db2.gz FCWUGHUQDNGDRL-KBPBESRZSA-N 3 0 275.440 2.526 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C)n1 ZINC000643518724 384684814 /nfs/dbraw/zinc/68/48/14/384684814.db2.gz RGPHGHBPVCTGFG-CZUORRHYSA-N 2 0 261.413 2.739 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000643521009 384686592 /nfs/dbraw/zinc/68/65/92/384686592.db2.gz ZFWLGOKZDRFFOS-CSMYWGQOSA-N 2 0 273.424 2.624 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000643522594 384688335 /nfs/dbraw/zinc/68/83/35/384688335.db2.gz PTPKXSJOCVHJCB-ZBFHGGJFSA-N 2 0 262.397 2.878 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCS2 ZINC000643522543 384689514 /nfs/dbraw/zinc/68/95/14/384689514.db2.gz OYWNKZRHVOKWLB-DOMZBBRYSA-N 2 0 292.448 2.964 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522872 384691080 /nfs/dbraw/zinc/69/10/80/384691080.db2.gz UCVBHIVXBNSMQV-XJKSGUPXSA-N 2 0 290.407 2.641 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523630 384691213 /nfs/dbraw/zinc/69/12/13/384691213.db2.gz CFCXNWUBXGAQTM-KRWDZBQOSA-N 2 0 279.387 2.852 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000643523883 384691525 /nfs/dbraw/zinc/69/15/25/384691525.db2.gz KCWBQUIQXRPQKE-AEGPPILISA-N 2 0 290.407 2.768 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)s1 ZINC000643523608 384691672 /nfs/dbraw/zinc/69/16/72/384691672.db2.gz AORAHDFHMDRZSR-JTQLQIEISA-N 2 0 273.405 2.906 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnn(C2CCCC2)c1 ZINC000643524060 384692001 /nfs/dbraw/zinc/69/20/01/384692001.db2.gz DYBQLSYVOWFAAN-QEJZJMRPSA-N 2 0 276.428 2.919 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000643524196 384694618 /nfs/dbraw/zinc/69/46/18/384694618.db2.gz VFKIXDUARPEKQG-DZUCGIPZSA-N 2 0 273.424 2.967 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000643526781 384696444 /nfs/dbraw/zinc/69/64/44/384696444.db2.gz GJHUEDATXJZYBR-GHMZBOCLSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000643529653 384704136 /nfs/dbraw/zinc/70/41/36/384704136.db2.gz JODFJNDYRXHPBZ-SUHUHFCYSA-N 2 0 252.789 2.913 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643534198 384705332 /nfs/dbraw/zinc/70/53/32/384705332.db2.gz OEHFLXTUVKTWCO-YGRLFVJLSA-N 2 0 266.335 2.758 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(C)s1 ZINC000643533241 384705393 /nfs/dbraw/zinc/70/53/93/384705393.db2.gz XIRKBPSFJOYZLN-VHSXEESVSA-N 2 0 255.431 2.928 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534505 384705780 /nfs/dbraw/zinc/70/57/80/384705780.db2.gz WGTULRPGDJTRTI-CJNGLKHVSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)COC2 ZINC000643533659 384706033 /nfs/dbraw/zinc/70/60/33/384706033.db2.gz AOAFKZIBNXPOFU-MLGOLLRUSA-N 2 0 272.392 2.510 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534700 384707291 /nfs/dbraw/zinc/70/72/91/384707291.db2.gz AHDCUFOCGTXIAC-SOUVJXGZSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534647 384707573 /nfs/dbraw/zinc/70/75/73/384707573.db2.gz ZFJONARFIWXSBQ-JKSUJKDBSA-N 2 0 256.393 2.714 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534774 384707939 /nfs/dbraw/zinc/70/79/39/384707939.db2.gz CKPDPWNEHISTSI-HOTGVXAUSA-N 2 0 274.383 2.935 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536022 384709013 /nfs/dbraw/zinc/70/90/13/384709013.db2.gz LZNYDBGFHSUIAF-IHRRRGAJSA-N 2 0 254.393 2.637 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cn1 ZINC000643535395 384709149 /nfs/dbraw/zinc/70/91/49/384709149.db2.gz LPGXBBNXGNLINY-GXFFZTMASA-N 2 0 265.788 2.528 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535374 384709700 /nfs/dbraw/zinc/70/97/00/384709700.db2.gz CUKUEMKGRGZGIN-HIFRSBDPSA-N 2 0 290.382 2.553 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535938 384709722 /nfs/dbraw/zinc/70/97/22/384709722.db2.gz QBKWLHNRTBQSJE-CVEARBPZSA-N 2 0 288.460 2.749 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1(CC)CC ZINC000643535201 384709788 /nfs/dbraw/zinc/70/97/88/384709788.db2.gz KGOAWEWIGGNTNN-SOUVJXGZSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(F)c1F ZINC000643535210 384709922 /nfs/dbraw/zinc/70/99/22/384709922.db2.gz KMVVWLDJGUHVRV-GWCFXTLKSA-N 2 0 266.335 2.758 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000643536110 384710749 /nfs/dbraw/zinc/71/07/49/384710749.db2.gz RCQWFDYMARUZPJ-CABZTGNLSA-N 2 0 265.426 2.553 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CCC[C@H]([C@H]3CCOC3)C1)CC[NH2+]2 ZINC000643548136 384727498 /nfs/dbraw/zinc/72/74/98/384727498.db2.gz MXPFIXKXQJDJIL-LUKYLMHMSA-N 2 0 292.467 2.846 20 0 CFADRP c1c[nH]c([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CCCCC2)n1 ZINC000643536817 384710956 /nfs/dbraw/zinc/71/09/56/384710956.db2.gz WIYWSXXGSNRNLS-CABCVRRESA-N 2 0 288.439 2.763 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(CO)c1 ZINC000643547817 384727799 /nfs/dbraw/zinc/72/77/99/384727799.db2.gz JHEHVNAXFMABAO-CZUORRHYSA-N 2 0 274.408 2.504 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC1(F)F ZINC000638602966 384775756 /nfs/dbraw/zinc/77/57/56/384775756.db2.gz GEFDCGNJLZZPRN-TUAOUCFPSA-N 2 0 262.388 2.986 20 0 CFADRP Cn1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279715078 384733323 /nfs/dbraw/zinc/73/33/23/384733323.db2.gz TWYJTXWBBCVYHJ-KDURUIRLSA-N 2 0 295.430 2.589 20 0 CFADRP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@@H]4CCC=CO4)C[C@@H]3C2)cc1 ZINC000279714977 384733890 /nfs/dbraw/zinc/73/38/90/384733890.db2.gz TVPZYSIITYJCSC-OTWHNJEPSA-N 2 0 298.430 2.743 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](OC)C2CCCC2)CC1 ZINC000638562946 384742413 /nfs/dbraw/zinc/74/24/13/384742413.db2.gz GTOJLOOMUWKHRG-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)CC(C)C ZINC000638566133 384747029 /nfs/dbraw/zinc/74/70/29/384747029.db2.gz BFBDOOVMGJGMTE-JKSUJKDBSA-N 2 0 270.461 2.758 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCn1ccnc1C ZINC000279758760 384748608 /nfs/dbraw/zinc/74/86/08/384748608.db2.gz QZWMPRYQNPHUFG-YOEHRIQHSA-N 2 0 287.407 2.947 20 0 CFADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000680992474 542395411 /nfs/dbraw/zinc/39/54/11/542395411.db2.gz KSFGRKOJUCKLJV-NXHRZFHOSA-N 2 0 290.451 2.615 20 0 CFADRP CO[C@@](C)(C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CC1 ZINC000638635220 384798011 /nfs/dbraw/zinc/79/80/11/384798011.db2.gz SREUVJQQQVWJSB-KRWDZBQOSA-N 2 0 294.414 2.792 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000638634032 384798325 /nfs/dbraw/zinc/79/83/25/384798325.db2.gz HQJPDGRGTOYAFA-UHFFFAOYSA-N 2 0 294.414 2.794 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3c(s1)CCC3)CC[NH2+]CC2 ZINC000643973754 384800380 /nfs/dbraw/zinc/80/03/80/384800380.db2.gz FIKDUQZNLRFRSH-LBPRGKRZSA-N 2 0 291.464 2.596 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000644166649 384880480 /nfs/dbraw/zinc/88/04/80/384880480.db2.gz IEARRKHWKYMYGS-IACUBPJLSA-N 2 0 252.427 2.929 20 0 CFADRP C[C@@H]([NH2+]CCN(C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280108844 384885602 /nfs/dbraw/zinc/88/56/02/384885602.db2.gz BFQCTRPGIDHOBD-VXGBXAGGSA-N 2 0 254.805 2.983 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638722707 384867631 /nfs/dbraw/zinc/86/76/31/384867631.db2.gz UHZKTTVJIMFZMG-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP COCC1(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000638788419 384918705 /nfs/dbraw/zinc/91/87/05/384918705.db2.gz JLLXCJWBRLGAJO-MRXNPFEDSA-N 2 0 282.472 2.761 20 0 CFADRP C[NH+]1CCN(CCC[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000638849351 384982558 /nfs/dbraw/zinc/98/25/58/384982558.db2.gz URHYSVGBCGAIBG-UHFFFAOYSA-N 2 0 291.483 2.637 20 0 CFADRP CO[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000638850241 384985453 /nfs/dbraw/zinc/98/54/53/384985453.db2.gz IAVAFNOHWVQOQJ-SFHVURJKSA-N 2 0 288.435 2.797 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638865356 384998004 /nfs/dbraw/zinc/99/80/04/384998004.db2.gz VHXBBFZTXLOCCA-ZBFHGGJFSA-N 2 0 292.471 2.971 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2cnccc2C)[C@@H](C)C1 ZINC000289244927 197273258 /nfs/dbraw/zinc/27/32/58/197273258.db2.gz AYKGTUDMNCDVNC-WMZOPIPTSA-N 2 0 289.467 2.985 20 0 CFADRP C[C@H](CO)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000270321477 385054746 /nfs/dbraw/zinc/05/47/46/385054746.db2.gz YCPZGNCLWQFDGH-JZXOWHBKSA-N 2 0 290.451 2.505 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393183 285148987 /nfs/dbraw/zinc/14/89/87/285148987.db2.gz FNWLSTKHAMNZHG-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cccc(C)c1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000638919084 385030447 /nfs/dbraw/zinc/03/04/47/385030447.db2.gz XUVYATGTLSDUOS-GDBMZVCRSA-N 2 0 274.408 2.530 20 0 CFADRP COc1cccc(C)c1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000638919086 385031611 /nfs/dbraw/zinc/03/16/11/385031611.db2.gz XUVYATGTLSDUOS-HOCLYGCPSA-N 2 0 274.408 2.530 20 0 CFADRP CC[C@@](C)(C[NH2+]CC[C@@H](C)[NH+]1CCCCC1)OC ZINC000639039044 385111499 /nfs/dbraw/zinc/11/14/99/385111499.db2.gz ZFGVNYMNKCZLJS-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H](CC[NH2+]Cc1ccc(CO)cc1)[NH+]1CCCCC1 ZINC000639039003 385112102 /nfs/dbraw/zinc/11/21/02/385112102.db2.gz XXHLJAMAJOQFSJ-HNNXBMFYSA-N 2 0 276.424 2.533 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](C)C1CCCCC1 ZINC000639056773 385137328 /nfs/dbraw/zinc/13/73/28/385137328.db2.gz IAMMMJGXMHJETK-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP COCC[C@H](C)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423169697 285157986 /nfs/dbraw/zinc/15/79/86/285157986.db2.gz KDXAOTAHPLJSOX-ZNMIVQPWSA-N 2 0 256.434 2.559 20 0 CFADRP CO[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CC(C)C ZINC000639123444 385222146 /nfs/dbraw/zinc/22/21/46/385222146.db2.gz AWLXRFRJMURISD-UYSNPLJNSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nccn1CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000270876716 385254151 /nfs/dbraw/zinc/25/41/51/385254151.db2.gz VFXHLAVRXJWZNU-UHFFFAOYSA-N 2 0 291.370 2.732 20 0 CFADRP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)onc1C1CC1 ZINC000639109150 385203754 /nfs/dbraw/zinc/20/37/54/385203754.db2.gz QXXJQBOKSMFIPY-UHFFFAOYSA-N 2 0 275.396 2.516 20 0 CFADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH]cn1 ZINC000282459767 385317456 /nfs/dbraw/zinc/31/74/56/385317456.db2.gz JRISXTWDKXSCIX-QGZVFWFLSA-N 2 0 298.434 2.800 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000282291314 385274118 /nfs/dbraw/zinc/27/41/18/385274118.db2.gz BZKPTJOOACQERD-FGTMMUONSA-N 2 0 288.435 2.553 20 0 CFADRP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000639169113 385274165 /nfs/dbraw/zinc/27/41/65/385274165.db2.gz CLITUQDZWDWGPP-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC000639176202 385281514 /nfs/dbraw/zinc/28/15/14/385281514.db2.gz DAOMHHROBBSVHT-LLLHUVSDSA-N 2 0 262.441 2.696 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(F)F)nc1 ZINC000639179036 385289829 /nfs/dbraw/zinc/28/98/29/385289829.db2.gz RCTOVLOZOHTAES-FZMZJTMJSA-N 2 0 283.366 2.791 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000271077811 385331055 /nfs/dbraw/zinc/33/10/55/385331055.db2.gz XKOLBBWGHJTMRC-GOSISDBHSA-N 2 0 290.451 2.774 20 0 CFADRP CC[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639222755 385347949 /nfs/dbraw/zinc/34/79/49/385347949.db2.gz NPBFLOWUTAGIFC-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP CCOC1CC(C[NH2+]C(C)(C)CCC[NH+](C)C)C1 ZINC000639231802 385359838 /nfs/dbraw/zinc/35/98/38/385359838.db2.gz SFXJLNXYEGIXOG-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1nc2ccccc2nc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000639257381 385386574 /nfs/dbraw/zinc/38/65/74/385386574.db2.gz NDDLNOGUNMLYIG-OAHLLOKOSA-N 2 0 298.434 2.760 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000639206704 385328359 /nfs/dbraw/zinc/32/83/59/385328359.db2.gz CIEAPLYMFVWIDC-HNNXBMFYSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1C[C@H](Nc2ccc(C[NH+](C)C)cc2F)CC[N@@H+]1C ZINC000639263598 385392304 /nfs/dbraw/zinc/39/23/04/385392304.db2.gz XANBAQVPFVHPGB-TZMCWYRMSA-N 2 0 279.403 2.782 20 0 CFADRP C[C@@H]1C[C@@H](Nc2ccc(C[NH+](C)C)cc2F)CC[N@@H+]1C ZINC000639263596 385392591 /nfs/dbraw/zinc/39/25/91/385392591.db2.gz XANBAQVPFVHPGB-OCCSQVGLSA-N 2 0 279.403 2.782 20 0 CFADRP CC(C)C1(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)CC1 ZINC000639303986 385431673 /nfs/dbraw/zinc/43/16/73/385431673.db2.gz XFLQVPYZDVKZNP-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C(C[NH2+]C[C@@H]1CCN1C1CCCCC1)C[C@H]1CCO1 ZINC000639345429 385469695 /nfs/dbraw/zinc/46/96/95/385469695.db2.gz LMPOIPDIMKDYIS-HOTGVXAUSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639348261 385472245 /nfs/dbraw/zinc/47/22/45/385472245.db2.gz VGRLCUASUFUGKQ-LVQVYYBASA-N 2 0 250.430 2.744 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000639350819 385473874 /nfs/dbraw/zinc/47/38/74/385473874.db2.gz QOCBSJNVLXSSBS-HNNXBMFYSA-N 2 0 280.456 2.558 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000639360530 385481321 /nfs/dbraw/zinc/48/13/21/385481321.db2.gz XEIDPNRWOIHTFE-RYRKJORJSA-N 2 0 290.451 2.627 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)CC(C)C ZINC000639335537 385461302 /nfs/dbraw/zinc/46/13/02/385461302.db2.gz TWLDKAFVYALRIB-QGZVFWFLSA-N 2 0 282.472 2.759 20 0 CFADRP COCC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000639337767 385463061 /nfs/dbraw/zinc/46/30/61/385463061.db2.gz PBTSZXWIYIUYSE-MRXNPFEDSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000639338052 385463842 /nfs/dbraw/zinc/46/38/42/385463842.db2.gz RVTHEHLFWZGRJU-SNPRPXQTSA-N 2 0 268.470 2.592 20 0 CFADRP C(CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000639338297 385464466 /nfs/dbraw/zinc/46/44/66/385464466.db2.gz SYANRIVVURVDEI-KRWDZBQOSA-N 2 0 280.456 2.515 20 0 CFADRP COC1(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCCC1 ZINC000639374743 385492412 /nfs/dbraw/zinc/49/24/12/385492412.db2.gz KMNOFUVTSBWLKJ-UHFFFAOYSA-N 2 0 280.456 2.896 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272422776 385533422 /nfs/dbraw/zinc/53/34/22/385533422.db2.gz GTTMRAUAIWYYBE-NVXWUHKLSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272422779 385533763 /nfs/dbraw/zinc/53/37/63/385533763.db2.gz GTTMRAUAIWYYBE-RDJZCZTQSA-N 2 0 290.451 2.648 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639455720 385540947 /nfs/dbraw/zinc/54/09/47/385540947.db2.gz URDNCHQEEJTVSH-UHFFFAOYSA-N 2 0 291.439 2.731 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272610848 385575307 /nfs/dbraw/zinc/57/53/07/385575307.db2.gz ZWPKPPYMNHVRCI-CGTJXYLNSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000639473576 385551358 /nfs/dbraw/zinc/55/13/58/385551358.db2.gz FAVCXZCMHRRTIX-BZSNNMDCSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000639489389 385557814 /nfs/dbraw/zinc/55/78/14/385557814.db2.gz PBUGWYQCVZKEKF-WNRNVDISSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1cc(C)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000639494127 385559293 /nfs/dbraw/zinc/55/92/93/385559293.db2.gz JHUKQSKCUNFWFD-MRXNPFEDSA-N 2 0 275.440 2.780 20 0 CFADRP Cc1cc(C)c(C[N@H+](C)CCOCC2CC2)c(C)n1 ZINC000639513214 385567679 /nfs/dbraw/zinc/56/76/79/385567679.db2.gz HFZFIIJOCBYQSF-UHFFFAOYSA-N 2 0 262.397 2.865 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579925 385592881 /nfs/dbraw/zinc/59/28/81/385592881.db2.gz MHZQFWUGSKQXCM-VGWMRTNUSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(C)n1 ZINC000639649956 385635709 /nfs/dbraw/zinc/63/57/09/385635709.db2.gz FVRXDKPWMPTPQZ-OAHLLOKOSA-N 2 0 270.380 2.650 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000272880076 385640445 /nfs/dbraw/zinc/64/04/45/385640445.db2.gz VIKFNXVYEAEFRS-UHFFFAOYSA-N 2 0 292.810 2.626 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)CC[C@@H]1[NH3+] ZINC000122707338 413007737 /nfs/dbraw/zinc/00/77/37/413007737.db2.gz LVWQUXVSNZLGDH-WBVHZDCISA-N 2 0 276.424 2.741 20 0 CFADRP CC(C)(C)OCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682694 385659653 /nfs/dbraw/zinc/65/96/53/385659653.db2.gz JRVXAOAYDFZCIB-UHFFFAOYSA-N 2 0 291.439 2.799 20 0 CFADRP C1=C[C@@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000639683480 385659705 /nfs/dbraw/zinc/65/97/05/385659705.db2.gz ZUZOXAMOZRFIKH-OAHLLOKOSA-N 2 0 257.381 2.702 20 0 CFADRP CO[C@H](C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639754531 385695985 /nfs/dbraw/zinc/69/59/85/385695985.db2.gz BXCRSXMUJKQHDV-QGZVFWFLSA-N 2 0 288.435 2.792 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000639756310 385697946 /nfs/dbraw/zinc/69/79/46/385697946.db2.gz UYSUZHFCICHYHX-UHFFFAOYSA-N 2 0 280.362 2.883 20 0 CFADRP C[C@@H](CC[NH2+]CC1(C)COC1)[N@H+](C)Cc1ccccc1 ZINC000286759310 385705408 /nfs/dbraw/zinc/70/54/08/385705408.db2.gz ZGEOOEDQQBVRHU-HNNXBMFYSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000274981479 385905776 /nfs/dbraw/zinc/90/57/76/385905776.db2.gz ZJIJGTUDLISMME-LLVKDONJSA-N 2 0 255.793 2.727 20 0 CFADRP CO[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274790264 385870740 /nfs/dbraw/zinc/87/07/40/385870740.db2.gz BWXBQZLKAPNKBN-UXLLHSPISA-N 2 0 276.424 2.522 20 0 CFADRP CCC[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000276932124 386083812 /nfs/dbraw/zinc/08/38/12/386083812.db2.gz OLDOMJPHOPSIEG-GJZGRUSLSA-N 2 0 282.453 2.636 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000276954692 386090141 /nfs/dbraw/zinc/09/01/41/386090141.db2.gz USUSWMVQMORZSJ-KURKYZTESA-N 2 0 288.435 2.981 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423136169 285219926 /nfs/dbraw/zinc/21/99/26/285219926.db2.gz USCZNBGETPBZFB-QWHCGFSZSA-N 2 0 278.387 2.546 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@@H](C)[C@@H](O)c3ccccc3)n2c1 ZINC000288407135 197069901 /nfs/dbraw/zinc/06/99/01/197069901.db2.gz AIWJDJJTZKEAPP-KBXCAEBGSA-N 2 0 295.386 2.854 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349507 533162412 /nfs/dbraw/zinc/16/24/12/533162412.db2.gz VVCLBNOTMHXIDZ-RDJZCZTQSA-N 2 0 292.398 2.801 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423206059 533175931 /nfs/dbraw/zinc/17/59/31/533175931.db2.gz FRURCIQJEMDTSR-QLFBSQMISA-N 2 0 276.424 2.776 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C1CC(C(F)F)C1)C(C)(C)C ZINC000681089423 542409491 /nfs/dbraw/zinc/40/94/91/542409491.db2.gz ANNBKIGZNQFFFI-HTAVTVPLSA-N 2 0 262.388 2.986 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000129172005 413028003 /nfs/dbraw/zinc/02/80/03/413028003.db2.gz HEMXGYRZRAUPLN-PWSUYJOCSA-N 2 0 253.415 2.553 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000423266955 533222290 /nfs/dbraw/zinc/22/22/90/533222290.db2.gz DMKOMVPTHAWSFZ-NWDGAFQWSA-N 2 0 297.830 2.784 20 0 CFADRP Cc1csc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000132098801 413035232 /nfs/dbraw/zinc/03/52/32/413035232.db2.gz KBXOUKIHRUYAPH-KBPBESRZSA-N 2 0 273.405 2.728 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCC(C)(C)C)CCC[NH2+]1 ZINC000423411333 285325219 /nfs/dbraw/zinc/32/52/19/285325219.db2.gz FMAKSVRJEXOIOC-ZFWWWQNUSA-N 2 0 256.434 2.559 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CSC1)N(C)C ZINC000682409346 542550632 /nfs/dbraw/zinc/55/06/32/542550632.db2.gz OAJMMNWEHBEEGJ-WFASDCNBSA-N 2 0 264.438 2.691 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CC[C@@H]1[NH3+] ZINC000134103831 413045554 /nfs/dbraw/zinc/04/55/54/413045554.db2.gz MMYYVBPAWHTBPJ-ZBFHGGJFSA-N 2 0 269.392 2.794 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)C[NH+]1CCCC1 ZINC000360250308 285356013 /nfs/dbraw/zinc/35/60/13/285356013.db2.gz OMFKROLXIRXIQI-SJLPKXTDSA-N 2 0 288.435 2.500 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000359623698 285371469 /nfs/dbraw/zinc/37/14/69/285371469.db2.gz WLCUBWZLMOJOOA-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000422797366 285373950 /nfs/dbraw/zinc/37/39/50/285373950.db2.gz MFMRDXBBPYRHMA-JONQDZQNSA-N 2 0 268.445 2.689 20 0 CFADRP CCN1CC[C@H]([NH2+]CCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420395874 285406286 /nfs/dbraw/zinc/40/62/86/285406286.db2.gz DSOXNVAJTANNFE-GJZGRUSLSA-N 2 0 299.821 2.553 20 0 CFADRP COCC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000423106783 533314141 /nfs/dbraw/zinc/31/41/41/533314141.db2.gz DGFSQMWXUBACBR-CJNGLKHVSA-N 2 0 293.455 2.951 20 0 CFADRP COc1ccc2cc([C@@H](C)[NH2+]CC3C[NH2+]C3)ccc2c1 ZINC000423305269 533335675 /nfs/dbraw/zinc/33/56/75/533335675.db2.gz QILSQXXKMWWEBR-GFCCVEGCSA-N 2 0 270.376 2.718 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000423324824 533354673 /nfs/dbraw/zinc/35/46/73/533354673.db2.gz JASBCMKGOJVQAC-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP COc1ccc2oc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC000414858867 533357559 /nfs/dbraw/zinc/35/75/59/533357559.db2.gz SSFPYBFDSVWOES-CHWSQXEVSA-N 2 0 288.391 2.919 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1C ZINC000414097588 533367751 /nfs/dbraw/zinc/36/77/51/533367751.db2.gz PLVYAPYNBXCDHZ-CPUCHLNUSA-N 2 0 273.424 2.932 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414857845 533443114 /nfs/dbraw/zinc/44/31/14/533443114.db2.gz QHXUVSBUKVWSPE-DGCLKSJQSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185698 533450061 /nfs/dbraw/zinc/45/00/61/533450061.db2.gz VQZVKELXNNBVMX-AWEZNQCLSA-N 2 0 289.423 2.655 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423250457 533403278 /nfs/dbraw/zinc/40/32/78/533403278.db2.gz QGOXQSLSOFRPDE-JHNDHUHGSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccccc1OC(F)(F)F ZINC000423296737 533408958 /nfs/dbraw/zinc/40/89/58/533408958.db2.gz HPNVEELFYOIDCZ-VHSXEESVSA-N 2 0 276.302 2.831 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1=CC[NH2+]CC1 ZINC000423347757 533410460 /nfs/dbraw/zinc/41/04/60/533410460.db2.gz QZLVGEPXJNEEQL-CYBMUJFWSA-N 2 0 260.381 2.574 20 0 CFADRP C[C@@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422729575 533415709 /nfs/dbraw/zinc/41/57/09/533415709.db2.gz KXYOYGXSQFENPI-COXVUDFISA-N 2 0 293.430 2.549 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423485162 533416708 /nfs/dbraw/zinc/41/67/08/533416708.db2.gz AQCHIOXSQJCJHX-IHRRRGAJSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423206049 533419534 /nfs/dbraw/zinc/41/95/34/533419534.db2.gz FRDQHDWVSDBFIV-JHNDHUHGSA-N 2 0 258.409 2.768 20 0 CFADRP COc1cccc(CCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422938278 533457150 /nfs/dbraw/zinc/45/71/50/533457150.db2.gz DMQMVHUBSKQTOU-RHSMWYFYSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422759530 533426215 /nfs/dbraw/zinc/42/62/15/533426215.db2.gz KXXHITMWAUXMEV-UXLLHSPISA-N 2 0 276.424 2.569 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422944927 533457740 /nfs/dbraw/zinc/45/77/40/533457740.db2.gz MGSLAHWQIJREIH-IAGOWNOFSA-N 2 0 276.424 2.877 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422909915 533435499 /nfs/dbraw/zinc/43/54/99/533435499.db2.gz PKMNIWXOKNNMPK-UNEWFSDZSA-N 2 0 258.409 2.837 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000423123551 533436101 /nfs/dbraw/zinc/43/61/01/533436101.db2.gz MUDDGUKNGKBHCY-DLBZAZTESA-N 2 0 288.435 2.976 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423344300 533439382 /nfs/dbraw/zinc/43/93/82/533439382.db2.gz XOUMMYGRSJRVLK-IUODEOHRSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000422805535 533521411 /nfs/dbraw/zinc/52/14/11/533521411.db2.gz JJBNSAFNGMWFIG-GDBMZVCRSA-N 2 0 284.407 2.665 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422728533 533475347 /nfs/dbraw/zinc/47/53/47/533475347.db2.gz AFGVNRZPLQDOLV-WMLDXEAASA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(-n2cccn2)c(F)c1 ZINC000423138472 533496707 /nfs/dbraw/zinc/49/67/07/533496707.db2.gz SVYDHTHUEFOSJC-QWHCGFSZSA-N 2 0 290.386 2.789 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422934110 533497953 /nfs/dbraw/zinc/49/79/53/533497953.db2.gz FIAAPDCXQVNJTP-WDEREUQCSA-N 2 0 297.240 2.578 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])c(Cl)c1 ZINC000422890811 533498919 /nfs/dbraw/zinc/49/89/19/533498919.db2.gz SZDQILORWQVEPK-SWLSCSKDSA-N 2 0 282.815 2.608 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000414916815 533512667 /nfs/dbraw/zinc/51/26/67/533512667.db2.gz QNBSDDTYJHHUFE-MAUKXSAKSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414877417 533579721 /nfs/dbraw/zinc/57/97/21/533579721.db2.gz FWRHITGNPPUGHK-VIFPVBQESA-N 2 0 267.423 2.699 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422760542 533540001 /nfs/dbraw/zinc/54/00/01/533540001.db2.gz LZMGEEZVOFKVAJ-GOEBONIOSA-N 2 0 293.430 2.902 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423175504 533541055 /nfs/dbraw/zinc/54/10/55/533541055.db2.gz DSNSXYXRBIMSDA-ZFWWWQNUSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@@H](CCC[NH3+])N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423163402 533547417 /nfs/dbraw/zinc/54/74/17/533547417.db2.gz RBCGSLOYRMWLKS-HNNXBMFYSA-N 2 0 283.504 2.946 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423155211 533553868 /nfs/dbraw/zinc/55/38/68/533553868.db2.gz QHUJGZBAOOOBQW-JTQLQIEISA-N 2 0 274.767 2.575 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000415027122 533555074 /nfs/dbraw/zinc/55/50/74/533555074.db2.gz WDIQJLYBJAIBSM-HNNXBMFYSA-N 2 0 299.418 2.878 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423216353 533611590 /nfs/dbraw/zinc/61/15/90/533611590.db2.gz RTWSWEWDWHERNS-UONOGXRCSA-N 2 0 292.423 2.662 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423494976 533614484 /nfs/dbraw/zinc/61/44/84/533614484.db2.gz TUHQMJSRJRXNIP-BFHYXJOUSA-N 2 0 292.423 2.790 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423314404 533653586 /nfs/dbraw/zinc/65/35/86/533653586.db2.gz HBJSOCPRDXLANW-BONVTDFDSA-N 2 0 268.351 2.613 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414823809 533670751 /nfs/dbraw/zinc/67/07/51/533670751.db2.gz DYLRSFKVAYVIIT-RDJZCZTQSA-N 2 0 260.425 2.845 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c2ccccc12 ZINC000414788646 533664835 /nfs/dbraw/zinc/66/48/35/533664835.db2.gz DROPLEDBLBSIRZ-MRXNPFEDSA-N 2 0 272.392 2.921 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683002752 542625843 /nfs/dbraw/zinc/62/58/43/542625843.db2.gz PHLCCTWTYISFPQ-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000366764180 130354554 /nfs/dbraw/zinc/35/45/54/130354554.db2.gz UTZPTTDAXJBOCX-CABCVRRESA-N 2 0 292.471 2.624 20 0 CFADRP Cc1cc(C[NH2+]CC2([NH3+])CCC2)c2ccccc2n1 ZINC000342167803 130357432 /nfs/dbraw/zinc/35/74/32/130357432.db2.gz PIOHXQIEAAKTGL-UHFFFAOYSA-N 2 0 255.365 2.514 20 0 CFADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000192096824 130369884 /nfs/dbraw/zinc/36/98/84/130369884.db2.gz LJZMRFXPKPZEIL-KBPBESRZSA-N 2 0 289.423 2.594 20 0 CFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000683142161 542645170 /nfs/dbraw/zinc/64/51/70/542645170.db2.gz KFQKTFBLFXNCRL-IAGOWNOFSA-N 2 0 290.451 2.648 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000237228783 131015567 /nfs/dbraw/zinc/01/55/67/131015567.db2.gz KONLAEKDGJXRAD-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000245611105 131087089 /nfs/dbraw/zinc/08/70/89/131087089.db2.gz LHFRCOBFCKESOA-BPQIPLTHSA-N 2 0 299.418 2.674 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2OC)C1 ZINC000249377438 131121960 /nfs/dbraw/zinc/12/19/60/131121960.db2.gz MANVNZRKAOYAQM-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000250357125 131124437 /nfs/dbraw/zinc/12/44/37/131124437.db2.gz PMKQVAFSZKRYJS-SOUVJXGZSA-N 2 0 293.480 2.567 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000401177981 285509165 /nfs/dbraw/zinc/50/91/65/285509165.db2.gz ZKFZEGDVRJFWGM-VSZNYVQBSA-N 2 0 270.420 2.522 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000268751095 132061047 /nfs/dbraw/zinc/06/10/47/132061047.db2.gz CJGPXDKGDRBJNE-OAHLLOKOSA-N 2 0 294.439 2.532 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@H](C)C1 ZINC000268998107 132098356 /nfs/dbraw/zinc/09/83/56/132098356.db2.gz OHWDPJXJCUTZCE-BPQIPLTHSA-N 2 0 290.451 2.820 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000683889113 542738030 /nfs/dbraw/zinc/73/80/30/542738030.db2.gz MACRLGBRMIAXNA-RUXDESIVSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC[N@@H+]1C ZINC000299990251 393464999 /nfs/dbraw/zinc/46/49/99/393464999.db2.gz KVRHUXUHNGXMOD-BZUAXINKSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000179467155 393466580 /nfs/dbraw/zinc/46/65/80/393466580.db2.gz BTDYBEXNZFTJKN-XHSDSOJGSA-N 2 0 291.439 2.622 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCF)CC2)C1CC1 ZINC000374310571 393492451 /nfs/dbraw/zinc/49/24/51/393492451.db2.gz MYUXODZWRNTZOG-ZDUSSCGKSA-N 2 0 254.393 2.542 20 0 CFADRP CCSCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000306039152 393505511 /nfs/dbraw/zinc/50/55/11/393505511.db2.gz ROBZXRQSHUNJQM-MJBXVCDLSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000182963327 393515746 /nfs/dbraw/zinc/51/57/46/393515746.db2.gz RKTRMRVQPWQDPV-QZTJIDSGSA-N 2 0 295.515 2.772 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000684370301 542794444 /nfs/dbraw/zinc/79/44/44/542794444.db2.gz RSDPREISSLMHAI-SJORKVTESA-N 2 0 273.424 2.539 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000684378378 542796111 /nfs/dbraw/zinc/79/61/11/542796111.db2.gz JRORGMOQFVGVIH-RRFJBIMHSA-N 2 0 270.461 2.900 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C1 ZINC000684394961 542800089 /nfs/dbraw/zinc/80/00/89/542800089.db2.gz RADHJEIMGBCWKM-ARFHVFGLSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000188114843 393561005 /nfs/dbraw/zinc/56/10/05/393561005.db2.gz ZFHVZLYFRXTDRK-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000684405094 542801693 /nfs/dbraw/zinc/80/16/93/542801693.db2.gz LOBHRYUJCMPPFJ-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC2(C)CC2)cc1 ZINC000684409946 542802913 /nfs/dbraw/zinc/80/29/13/542802913.db2.gz NGHLNZADZDAMNV-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684411072 542803620 /nfs/dbraw/zinc/80/36/20/542803620.db2.gz FLAFGZHIIUPBDF-OKILXGFUSA-N 2 0 262.397 2.610 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000165320094 542820439 /nfs/dbraw/zinc/82/04/39/542820439.db2.gz FOCZURUITRKQOE-BBRMVZONSA-N 2 0 294.439 2.849 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000401163068 393602393 /nfs/dbraw/zinc/60/23/93/393602393.db2.gz UEEKAGWNFGLBIX-KCQAQPDRSA-N 2 0 264.438 2.843 20 0 CFADRP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191825046 393608497 /nfs/dbraw/zinc/60/84/97/393608497.db2.gz CNZPEYURPPFIKG-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000191809500 393607208 /nfs/dbraw/zinc/60/72/08/393607208.db2.gz WXDQIBKLGCLGFE-OAHLLOKOSA-N 2 0 278.440 2.987 20 0 CFADRP CO[C@@H](C)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000191147055 393588640 /nfs/dbraw/zinc/58/86/40/393588640.db2.gz CWQGKWMZKAUGHA-HNNXBMFYSA-N 2 0 278.440 2.769 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000334288560 393590536 /nfs/dbraw/zinc/59/05/36/393590536.db2.gz JBQHPWWCZWUOFA-KRWDZBQOSA-N 2 0 288.435 2.843 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411170271 393679120 /nfs/dbraw/zinc/67/91/20/393679120.db2.gz AZEPMQYGJKPNQE-DLBZAZTESA-N 2 0 276.399 2.955 20 0 CFADRP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)CCS1 ZINC000192170841 393615278 /nfs/dbraw/zinc/61/52/78/393615278.db2.gz KJRNQZDOXWQWLC-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1CCS[C@@H](C)CC1 ZINC000192188160 393616586 /nfs/dbraw/zinc/61/65/86/393616586.db2.gz RNRDENMTGUJZRE-ZDUSSCGKSA-N 2 0 267.442 2.799 20 0 CFADRP CC1(C)CC([NH2+][C@@H]2CCCSC2)CC(C)(C)[NH2+]1 ZINC000061571975 393625098 /nfs/dbraw/zinc/62/50/98/393625098.db2.gz AGDHRQJNVNRHQV-LLVKDONJSA-N 2 0 256.459 2.781 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000335076365 393638964 /nfs/dbraw/zinc/63/89/64/393638964.db2.gz XJNHXPHIMGKROJ-WWDZGPRUSA-N 2 0 299.462 2.936 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)C1C[NH2+]C1 ZINC000335602117 393683229 /nfs/dbraw/zinc/68/32/29/393683229.db2.gz VSAISAJURAFGDT-LKFCYVNXSA-N 2 0 295.224 2.634 20 0 CFADRP C1CC2(C1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335210889 393652761 /nfs/dbraw/zinc/65/27/61/393652761.db2.gz XCKAMGWDDAEAQU-OFLPRAFFSA-N 2 0 291.483 2.515 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2C1 ZINC000193607660 393657636 /nfs/dbraw/zinc/65/76/36/393657636.db2.gz BUPJXQRHJXGJBZ-CALCHBBNSA-N 2 0 266.388 2.833 20 0 CFADRP CCCN(CC)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194066658 393675810 /nfs/dbraw/zinc/67/58/10/393675810.db2.gz NKOJFRPMAUBACH-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP c1cn2c(n1)C[C@H]([NH2+]C1CC(c3ccccc3)C1)CC2 ZINC000336404097 393733792 /nfs/dbraw/zinc/73/37/92/393733792.db2.gz RABBXOMMHFZRND-HWOWSKLDSA-N 2 0 267.376 2.734 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000088413735 393762010 /nfs/dbraw/zinc/76/20/10/393762010.db2.gz BXGNOVHRCMNXNW-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)CC1 ZINC000336838539 393751338 /nfs/dbraw/zinc/75/13/38/393751338.db2.gz QOSZMPHZZAJCLF-QZTJIDSGSA-N 2 0 294.483 2.857 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000411977634 393758673 /nfs/dbraw/zinc/75/86/73/393758673.db2.gz YFNWGCKFGUAPMI-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP CCCc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000194539927 393704196 /nfs/dbraw/zinc/70/41/96/393704196.db2.gz GPRBPDFFDXGXEE-CALCHBBNSA-N 2 0 258.409 2.633 20 0 CFADRP c1ncc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000411393717 393706713 /nfs/dbraw/zinc/70/67/13/393706713.db2.gz AQPZMCVYJMMCGF-BBRMVZONSA-N 2 0 291.464 2.634 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)[C@H](C)CO ZINC000411525698 393721328 /nfs/dbraw/zinc/72/13/28/393721328.db2.gz CLRZLASKOFYPEU-HZPDHXFCSA-N 2 0 290.451 2.779 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337394316 393760765 /nfs/dbraw/zinc/76/07/65/393760765.db2.gz IJTIIXQWBJTVGR-UPJWGTAASA-N 2 0 276.371 2.611 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337394314 393760977 /nfs/dbraw/zinc/76/09/77/393760977.db2.gz IJTIIXQWBJTVGR-JHJVBQTASA-N 2 0 276.371 2.611 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000227056428 393771718 /nfs/dbraw/zinc/77/17/18/393771718.db2.gz GSRZSWPNOZCBCY-XJKSGUPXSA-N 2 0 262.397 2.645 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337987524 393772209 /nfs/dbraw/zinc/77/22/09/393772209.db2.gz GIRPJTLEOMUJDB-DZKIICNBSA-N 2 0 268.420 2.979 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC000424341832 393836315 /nfs/dbraw/zinc/83/63/15/393836315.db2.gz DUYKFUTWRBOIBO-UUAJXVIYSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093513877 393800456 /nfs/dbraw/zinc/80/04/56/393800456.db2.gz UYPAOWVOCBYEME-NVXWUHKLSA-N 2 0 281.488 2.760 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)CC[NH2+]1 ZINC000414688874 393802530 /nfs/dbraw/zinc/80/25/30/393802530.db2.gz JZDLKODNZQDTIH-HPFXQQBRSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3c(F)ccc(F)c3C2)CC[NH2+]1 ZINC000414710440 393804607 /nfs/dbraw/zinc/80/46/07/393804607.db2.gz RDBUKWPIGXCSEZ-NWDGAFQWSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000414826702 393805361 /nfs/dbraw/zinc/80/53/61/393805361.db2.gz GAVRLADYKJXTGG-SOLBZPMBSA-N 3 0 293.499 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2F)[C@@H](C)C1 ZINC000245445919 393805320 /nfs/dbraw/zinc/80/53/20/393805320.db2.gz ZIIYHEXERVAPLS-HOCLYGCPSA-N 2 0 294.414 2.867 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414804155 393805518 /nfs/dbraw/zinc/80/55/18/393805518.db2.gz NBOZUALCCVXQTJ-ZDUSSCGKSA-N 2 0 291.439 2.854 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783775 393805593 /nfs/dbraw/zinc/80/55/93/393805593.db2.gz ZYBIPLAMDSMPPC-ABFRBSLYSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783787 393806167 /nfs/dbraw/zinc/80/61/67/393806167.db2.gz ZYBIPLAMDSMPPC-WTTBNOFXSA-N 2 0 280.456 2.641 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000414958503 393808723 /nfs/dbraw/zinc/80/87/23/393808723.db2.gz OYFVBTCFFSPASA-UXLLHSPISA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000415013545 393810392 /nfs/dbraw/zinc/81/03/92/393810392.db2.gz KWYGXHQZSBZFTK-CHWSQXEVSA-N 2 0 295.858 2.630 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CCO1 ZINC000415053884 393810893 /nfs/dbraw/zinc/81/08/93/393810893.db2.gz PFFREJGIXZSBQJ-VQHPVUNQSA-N 2 0 280.456 2.656 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415085932 393811886 /nfs/dbraw/zinc/81/18/86/393811886.db2.gz RIBRDILULDTSED-HRCADAONSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCOc1cccc(F)c1)CC[NH2+]CC2 ZINC000424283705 393813556 /nfs/dbraw/zinc/81/35/56/393813556.db2.gz BNVWRDGXPFZHMW-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP COc1ccc(CC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424295850 393816286 /nfs/dbraw/zinc/81/62/86/393816286.db2.gz RKAGRPJNRLZKEA-HNNXBMFYSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000245609563 393818076 /nfs/dbraw/zinc/81/80/76/393818076.db2.gz NUGSIRMHFPFHGG-DZUCGIPZSA-N 2 0 258.409 2.862 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)C[C@H]2C1 ZINC000424308887 393821461 /nfs/dbraw/zinc/82/14/61/393821461.db2.gz HKCJOSNZRWPBDJ-QXDIGNSFSA-N 2 0 294.483 2.900 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000246385978 393864953 /nfs/dbraw/zinc/86/49/53/393864953.db2.gz SAOLBKKWQAHDLW-FMKPAKJESA-N 2 0 294.439 2.849 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCN(C)c2ccccc2)[C@@H](C)C1 ZINC000246401773 393865601 /nfs/dbraw/zinc/86/56/01/393865601.db2.gz UCIPZNFCEZSQQC-FUHWJXTLSA-N 2 0 289.467 2.785 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000246417252 393866040 /nfs/dbraw/zinc/86/60/40/393866040.db2.gz MXJGQANHCWFMJH-WRFANHODSA-N 2 0 294.414 2.832 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868437 393867834 /nfs/dbraw/zinc/86/78/34/393867834.db2.gz IRUOCKQZQKCILQ-IAGOWNOFSA-N 2 0 281.403 2.951 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246444672 393868402 /nfs/dbraw/zinc/86/84/02/393868402.db2.gz OUJJKLZQKGDRID-MAUKXSAKSA-N 2 0 290.451 2.948 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000425363989 393877141 /nfs/dbraw/zinc/87/71/41/393877141.db2.gz YGKRYOIXZCDTMD-LJISPDSOSA-N 2 0 270.486 2.838 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000425353707 393877205 /nfs/dbraw/zinc/87/72/05/393877205.db2.gz JBGXHMBFDLNJMP-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000425392934 393878238 /nfs/dbraw/zinc/87/82/38/393878238.db2.gz HVFUUBJFGDPUPB-FUHWJXTLSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246813295 393885783 /nfs/dbraw/zinc/88/57/83/393885783.db2.gz ATMPKEVTDHELAH-OVYGPGRDSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246868203 393888196 /nfs/dbraw/zinc/88/81/96/393888196.db2.gz CUKAEZHAESSBOI-ATLSCFEFSA-N 2 0 290.451 2.613 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246923424 393889925 /nfs/dbraw/zinc/88/99/25/393889925.db2.gz GVFKMTPLDWGDJQ-RCCFBDPRSA-N 2 0 295.515 2.815 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000112547669 393892094 /nfs/dbraw/zinc/89/20/94/393892094.db2.gz HKBZTJMCQBBPHG-AWEZNQCLSA-N 2 0 296.842 2.992 20 0 CFADRP CN(CCC[N@H+](C)Cc1ccc(Cl)cc1)CC[NH+](C)C ZINC000344032393 393893793 /nfs/dbraw/zinc/89/37/93/393893793.db2.gz PWRXCKADGMGQJH-UHFFFAOYSA-N 2 0 297.874 2.655 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(O)cccc34)CC[C@H]21 ZINC000684578350 542830470 /nfs/dbraw/zinc/83/04/70/542830470.db2.gz LSRDPDODJJYWGF-DZGCQCFKSA-N 2 0 297.402 2.861 20 0 CFADRP COc1ccccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424381069 393841868 /nfs/dbraw/zinc/84/18/68/393841868.db2.gz QKZKEKGQIYHUDK-AWEZNQCLSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424381162 393841950 /nfs/dbraw/zinc/84/19/50/393841950.db2.gz YIGMWMPCUHNSGJ-BPLDGKMQSA-N 2 0 250.361 2.731 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@]1(C)CCCO1 ZINC000340355327 393842106 /nfs/dbraw/zinc/84/21/06/393842106.db2.gz XRCZGRCWWQTNTK-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@]2(C)CCCO2)C1 ZINC000246158703 393851256 /nfs/dbraw/zinc/85/12/56/393851256.db2.gz DANGHGOTNWTASD-NXHRZFHOSA-N 2 0 288.435 2.981 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000119154068 393916300 /nfs/dbraw/zinc/91/63/00/393916300.db2.gz FEPZOCBVMYGAHE-INIZCTEOSA-N 2 0 277.456 2.966 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000250992137 393930301 /nfs/dbraw/zinc/93/03/01/393930301.db2.gz MKHWNCNKICGUOA-IVMMDQJWSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000346471898 393930562 /nfs/dbraw/zinc/93/05/62/393930562.db2.gz DNUBWQKWFNZVPO-PMPSAXMXSA-N 2 0 268.445 2.798 20 0 CFADRP C([C@H]1CCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000346819576 393933760 /nfs/dbraw/zinc/93/37/60/393933760.db2.gz HODLQCCZKZNOOM-ZWKOTPCHSA-N 2 0 293.499 2.574 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429014554 393934044 /nfs/dbraw/zinc/93/40/44/393934044.db2.gz YZHNXZAURYTFIV-MSOLQXFVSA-N 2 0 288.435 2.792 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121060555 393947132 /nfs/dbraw/zinc/94/71/32/393947132.db2.gz KTCWCLNUWYGWMM-IAGOWNOFSA-N 2 0 289.467 2.529 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000261568669 393947887 /nfs/dbraw/zinc/94/78/87/393947887.db2.gz KUSDWAAKXLXGOL-UVBJJODRSA-N 2 0 260.381 2.536 20 0 CFADRP CC(C)CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000429324572 393952141 /nfs/dbraw/zinc/95/21/41/393952141.db2.gz ARKGMOCXWCCKCI-HRCADAONSA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1CC1CC[NH2+]CC1 ZINC000261991372 393952725 /nfs/dbraw/zinc/95/27/25/393952725.db2.gz SKYXJJVUVBFZLL-QGZVFWFLSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)CCN1Cc1ccccc1 ZINC000417415266 393958748 /nfs/dbraw/zinc/95/87/48/393958748.db2.gz YWHFOOGOQJIFDG-DDBAPUKQSA-N 2 0 288.435 2.543 20 0 CFADRP C[NH+](CCOCC[N@@H+](C)CC(C)(C)C)CC(C)(C)C ZINC000487002191 393979489 /nfs/dbraw/zinc/97/94/89/393979489.db2.gz RLAMJUDMCMOXCH-UHFFFAOYSA-N 2 0 272.477 2.959 20 0 CFADRP CCCC[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123561703 393983489 /nfs/dbraw/zinc/98/34/89/393983489.db2.gz VLEAKHSKCXHVCR-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@](C)(C[NH3+])C2CC2)cc1 ZINC000430554987 393992917 /nfs/dbraw/zinc/99/29/17/393992917.db2.gz WVIDHJDCGPRRNB-QGZVFWFLSA-N 2 0 292.423 2.571 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430573519 393994576 /nfs/dbraw/zinc/99/45/76/393994576.db2.gz RLVWTCPSQYLTHG-CVEARBPZSA-N 2 0 276.424 2.823 20 0 CFADRP Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](C[NH3+])C1 ZINC000430604531 393998605 /nfs/dbraw/zinc/99/86/05/393998605.db2.gz QOKOHFGHAZAAPA-GFCCVEGCSA-N 2 0 291.420 2.882 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCSCC1 ZINC000353927410 394038619 /nfs/dbraw/zinc/03/86/19/394038619.db2.gz IPCLHAVKOUHJSB-QEJZJMRPSA-N 2 0 268.470 2.735 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000437104903 394046794 /nfs/dbraw/zinc/04/67/94/394046794.db2.gz ARMFSIWQEGTHDJ-DOTOQJQBSA-N 2 0 289.467 2.961 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000437104908 394046850 /nfs/dbraw/zinc/04/68/50/394046850.db2.gz ARMFSIWQEGTHDJ-WBVHZDCISA-N 2 0 289.467 2.961 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000127995770 394060935 /nfs/dbraw/zinc/06/09/35/394060935.db2.gz FWIZEJSTJGQPKT-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000419787845 394063898 /nfs/dbraw/zinc/06/38/98/394063898.db2.gz AAXBBPVDRDJZMG-HNNXBMFYSA-N 2 0 298.434 2.898 20 0 CFADRP CCSCC[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000355742783 394070396 /nfs/dbraw/zinc/07/03/96/394070396.db2.gz WRQMSWYQCBQYAS-ZIAGYGMSSA-N 2 0 258.475 2.697 20 0 CFADRP CCC[C@@H](C)[C@@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128473286 394070937 /nfs/dbraw/zinc/07/09/37/394070937.db2.gz YJAPXTPRFBPGSZ-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438087440 394078517 /nfs/dbraw/zinc/07/85/17/394078517.db2.gz LFKCYTMUZHWOIH-JKSUJKDBSA-N 2 0 268.445 2.515 20 0 CFADRP CN(c1ccccc1)c1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ncn1 ZINC000420244151 394103977 /nfs/dbraw/zinc/10/39/77/394103977.db2.gz XYIXDJZJTMECIR-ZIAGYGMSSA-N 2 0 297.406 2.926 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCO1 ZINC000356973425 394083048 /nfs/dbraw/zinc/08/30/48/394083048.db2.gz BCACLUUICUDHIZ-QBPKDAKJSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H](O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000438988150 394092751 /nfs/dbraw/zinc/09/27/51/394092751.db2.gz QXKGCOFQDABMGN-MRXNPFEDSA-N 2 0 290.451 2.601 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000129800583 394095223 /nfs/dbraw/zinc/09/52/23/394095223.db2.gz DSJOTINOCVRXDY-OBJOEFQTSA-N 2 0 280.387 2.968 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000419208188 394033571 /nfs/dbraw/zinc/03/35/71/394033571.db2.gz QRZNSTIYRRDPJG-IRXDYDNUSA-N 2 0 282.472 2.998 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000420252436 394106004 /nfs/dbraw/zinc/10/60/04/394106004.db2.gz AXSATQJVIVXWJN-GJZGRUSLSA-N 2 0 281.403 2.897 20 0 CFADRP C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)[C@@H](C[NH3+])C1 ZINC000420258348 394107773 /nfs/dbraw/zinc/10/77/73/394107773.db2.gz KCRZFBSVPIPYTE-DGCLKSJQSA-N 2 0 273.355 2.938 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358778484 394112564 /nfs/dbraw/zinc/11/25/64/394112564.db2.gz TYXUVSFJUVUGSL-CHWSQXEVSA-N 2 0 256.459 2.733 20 0 CFADRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCCO1 ZINC000420311924 394116612 /nfs/dbraw/zinc/11/66/12/394116612.db2.gz WHQZEJHVCZIKCZ-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420383768 394119330 /nfs/dbraw/zinc/11/93/30/394119330.db2.gz ZZGVEHPFBBIHKZ-YSVLISHTSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420385811 394119434 /nfs/dbraw/zinc/11/94/34/394119434.db2.gz IEBQGYMENSCYTG-FHLIZLRMSA-N 2 0 288.435 2.966 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359217517 394126865 /nfs/dbraw/zinc/12/68/65/394126865.db2.gz LJZNARQNEVWAHT-MRXNPFEDSA-N 2 0 288.435 2.874 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C)C1 ZINC000131245799 394128127 /nfs/dbraw/zinc/12/81/27/394128127.db2.gz DDCKZVAUWMLVSZ-MHORFTMASA-N 2 0 295.515 2.817 20 0 CFADRP Cn1ncc(Cl)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000131533085 394135460 /nfs/dbraw/zinc/13/54/60/394135460.db2.gz KPWUDPUAKFTJJW-UHFFFAOYSA-N 2 0 298.862 2.819 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000360055258 394144604 /nfs/dbraw/zinc/14/46/04/394144604.db2.gz GVPIBIPMIISETB-KNCCTNLNSA-N 2 0 288.435 2.619 20 0 CFADRP CC/C=C/CC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975382 394146211 /nfs/dbraw/zinc/14/62/11/394146211.db2.gz FVTRRXJLKVFIFS-AATRIKPKSA-N 2 0 293.499 2.835 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCCCCC1 ZINC000132364872 394153181 /nfs/dbraw/zinc/15/31/81/394153181.db2.gz YBJQIXZKQGFGQZ-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132443526 394155386 /nfs/dbraw/zinc/15/53/86/394155386.db2.gz FMCMBYMYFPAESY-QZTJIDSGSA-N 2 0 295.515 2.983 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000362308657 394183522 /nfs/dbraw/zinc/18/35/22/394183522.db2.gz GPJVUOLQINGKBN-QTJAEWGCSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000291690936 394256300 /nfs/dbraw/zinc/25/63/00/394256300.db2.gz JBLLCIWBAKFBBS-AWEZNQCLSA-N 2 0 264.413 2.761 20 0 CFADRP CCOC(=O)C1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421376038 394208749 /nfs/dbraw/zinc/20/87/49/394208749.db2.gz QXSJYUMNWYPWCI-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP Cc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(C)c1O ZINC000421381541 394211810 /nfs/dbraw/zinc/21/18/10/394211810.db2.gz XAGRBSMVMXQYSK-UHFFFAOYSA-N 2 0 276.424 2.971 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422824315 394256816 /nfs/dbraw/zinc/25/68/16/394256816.db2.gz NLNLCZUEBOAIMB-PBHICJAKSA-N 2 0 279.472 2.501 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000421388515 394215912 /nfs/dbraw/zinc/21/59/12/394215912.db2.gz UEEJTMDXGUHCJP-AWEZNQCLSA-N 2 0 282.497 2.984 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000449127097 394221791 /nfs/dbraw/zinc/22/17/91/394221791.db2.gz WEAXCHHGTDMNGH-AEFFLSMTSA-N 2 0 296.499 2.885 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000449128813 394222194 /nfs/dbraw/zinc/22/21/94/394222194.db2.gz AWSQCBUYXPSQQA-JFIYKMOQSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000289855610 394222690 /nfs/dbraw/zinc/22/26/90/394222690.db2.gz BMHOVDIGXQEGMW-INIZCTEOSA-N 2 0 292.398 2.592 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC12CCCCC2)N1CC[NH+](C)CC1 ZINC000449136650 394225508 /nfs/dbraw/zinc/22/55/08/394225508.db2.gz VSUSBPHUCFTQHG-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000449135827 394225544 /nfs/dbraw/zinc/22/55/44/394225544.db2.gz RQDXVOWZNVZYAG-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367602190 394258313 /nfs/dbraw/zinc/25/83/13/394258313.db2.gz RREHDNHWFUZOMR-XHSDSOJGSA-N 2 0 282.472 2.780 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000422946227 394258451 /nfs/dbraw/zinc/25/84/51/394258451.db2.gz OJXINWCIYBFPOZ-DZGCQCFKSA-N 2 0 282.815 2.671 20 0 CFADRP C[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1)C[NH+](C)C ZINC000291782671 394258653 /nfs/dbraw/zinc/25/86/53/394258653.db2.gz VAWZYMKXCIKBCT-CHWSQXEVSA-N 2 0 252.377 2.544 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422914852 394258818 /nfs/dbraw/zinc/25/88/18/394258818.db2.gz WGMDOXQNVUSHFH-MAUKXSAKSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H]([NH2+]CC1(Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000422927365 394259152 /nfs/dbraw/zinc/25/91/52/394259152.db2.gz GIZXPRUBRQJTGY-AWEZNQCLSA-N 2 0 258.409 2.597 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CCSCC3)CC[N@@H+]1C ZINC000421879437 394248348 /nfs/dbraw/zinc/24/83/48/394248348.db2.gz NDPZSPKBZMQSPP-MCIONIFRSA-N 2 0 268.470 2.592 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCOC(C)(C)C)C2)CC1 ZINC000366877529 394248884 /nfs/dbraw/zinc/24/88/84/394248884.db2.gz CHVLJAKCRBBDAV-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000366913913 394248959 /nfs/dbraw/zinc/24/89/59/394248959.db2.gz OHSZKPGWKWZZNR-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422699555 394253212 /nfs/dbraw/zinc/25/32/12/394253212.db2.gz DPVAQEFOMVHFRC-HNNXBMFYSA-N 2 0 289.467 2.540 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422760941 394254141 /nfs/dbraw/zinc/25/41/41/394254141.db2.gz QPXKGXHNOGHUFN-IKGGRYGDSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422744098 394254165 /nfs/dbraw/zinc/25/41/65/394254165.db2.gz SHALONGNFKCARB-CIRFHOKZSA-N 2 0 287.451 2.552 20 0 CFADRP Cc1ccsc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134114710 394188829 /nfs/dbraw/zinc/18/88/29/394188829.db2.gz QKDBRUZXOGHTER-UHFFFAOYSA-N 2 0 294.464 2.601 20 0 CFADRP CC[C@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422798959 394255442 /nfs/dbraw/zinc/25/54/42/394255442.db2.gz UKWYOOXYDKGZEW-BZSNNMDCSA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449218868 394255495 /nfs/dbraw/zinc/25/54/95/394255495.db2.gz LMIFLDNQWNSFSH-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423033251 394260898 /nfs/dbraw/zinc/26/08/98/394260898.db2.gz ZIJYPKAJOVETCH-PFSRBDOWSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000423025782 394261178 /nfs/dbraw/zinc/26/11/78/394261178.db2.gz MLYVJTTXOQKSIT-GJZGRUSLSA-N 2 0 276.424 2.841 20 0 CFADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423041873 394262184 /nfs/dbraw/zinc/26/21/84/394262184.db2.gz XZGXHMGBMCXSHD-RCCFBDPRSA-N 2 0 291.483 2.539 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1(C)C ZINC000423045197 394262322 /nfs/dbraw/zinc/26/23/22/394262322.db2.gz CMEGHLSFHSYUDR-LJISPDSOSA-N 2 0 268.445 2.556 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)c2ccccc21 ZINC000423044061 394262327 /nfs/dbraw/zinc/26/23/27/394262327.db2.gz APXJSRCIOQWZDW-VZEFYGNVSA-N 2 0 272.392 2.678 20 0 CFADRP COc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423072864 394262850 /nfs/dbraw/zinc/26/28/50/394262850.db2.gz QEMZKTWLDCMJQH-WCQYABFASA-N 2 0 274.364 2.658 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423072399 394262954 /nfs/dbraw/zinc/26/29/54/394262954.db2.gz HEJUCSPHARSFRT-YWPYICTPSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccccc1OC(F)F ZINC000423072947 394264356 /nfs/dbraw/zinc/26/43/56/394264356.db2.gz QSQXTIBDSAQTIV-LBPRGKRZSA-N 2 0 286.366 2.938 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000423082554 394266302 /nfs/dbraw/zinc/26/63/02/394266302.db2.gz DJVBPRXMNNPKGS-HNKHHVNMSA-N 2 0 262.372 2.931 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H](C)CCC[NH3+])c1C ZINC000423083539 394266587 /nfs/dbraw/zinc/26/65/87/394266587.db2.gz GRRXWSGEBVLLIS-AWEZNQCLSA-N 2 0 264.413 2.789 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423081348 394266656 /nfs/dbraw/zinc/26/66/56/394266656.db2.gz BJHRSKHZYQYCRU-JZXOWHBKSA-N 2 0 287.451 2.633 20 0 CFADRP CC[NH+](CC)[C@H](C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423089396 394268758 /nfs/dbraw/zinc/26/87/58/394268758.db2.gz VETGRFUCKBUPEL-XHSDSOJGSA-N 2 0 269.477 2.617 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423088774 394268785 /nfs/dbraw/zinc/26/87/85/394268785.db2.gz SRTSEQOHSOEVFC-NEPJUHHUSA-N 2 0 259.397 2.702 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423087757 394268811 /nfs/dbraw/zinc/26/88/11/394268811.db2.gz QGWJCSPOBQZOCY-OKZBNKHCSA-N 2 0 287.451 2.833 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000423088618 394268860 /nfs/dbraw/zinc/26/88/60/394268860.db2.gz SKAMITFJMREKQA-IAGOWNOFSA-N 2 0 267.376 2.667 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091124 394269391 /nfs/dbraw/zinc/26/93/91/394269391.db2.gz ZLGPIYJHKXAXJD-CABCVRRESA-N 2 0 275.440 2.618 20 0 CFADRP c1ccc(N2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423090628 394269597 /nfs/dbraw/zinc/26/95/97/394269597.db2.gz XXCIZELGQLNUID-JWTNVVGKSA-N 2 0 299.462 2.776 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423102162 394270052 /nfs/dbraw/zinc/27/00/52/394270052.db2.gz ODPXOAOSKFGPIQ-CVEARBPZSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093451 394270360 /nfs/dbraw/zinc/27/03/60/394270360.db2.gz HMRGHBBZDYNTGE-ZBFHGGJFSA-N 3 0 267.461 2.501 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423146385 394272135 /nfs/dbraw/zinc/27/21/35/394272135.db2.gz ALPAFQUSKQEIDT-OAOQPFQOSA-N 2 0 286.419 2.878 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H](C)O1 ZINC000423196336 394272939 /nfs/dbraw/zinc/27/29/39/394272939.db2.gz ZPEAODYIHUJZST-QRUUQIEESA-N 2 0 260.381 2.534 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423251657 394275069 /nfs/dbraw/zinc/27/50/69/394275069.db2.gz SGQQQWWCRHVLJP-ABAIWWIYSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000423299279 394277130 /nfs/dbraw/zinc/27/71/30/394277130.db2.gz BOQAARGNZKLRFK-QYNFOATHSA-N 2 0 266.351 2.928 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccnc1 ZINC000423421250 394280536 /nfs/dbraw/zinc/28/05/36/394280536.db2.gz AUXSMPICVKVSFU-GVDBMIGSSA-N 2 0 273.424 2.756 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423405088 394280658 /nfs/dbraw/zinc/28/06/58/394280658.db2.gz JBOZHENYMCOEKF-XHSDSOJGSA-N 2 0 282.472 2.807 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000423404759 394281150 /nfs/dbraw/zinc/28/11/50/394281150.db2.gz XRNCCAQFVZNEMP-YCPHGPKFSA-N 2 0 276.449 2.877 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cnn1C(C)(C)C ZINC000423406914 394281173 /nfs/dbraw/zinc/28/11/73/394281173.db2.gz ZJBHLMLJPWYXQU-UBHSHLNASA-N 2 0 278.444 2.867 20 0 CFADRP C1[C@@H]([NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@@H]1C1CC[NH2+]CC1 ZINC000423446138 394282134 /nfs/dbraw/zinc/28/21/34/394282134.db2.gz SMBZVXXMQHLZSB-DFBDCSAJSA-N 2 0 292.467 2.559 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423462615 394282831 /nfs/dbraw/zinc/28/28/31/394282831.db2.gz KVPUBWCPIHGPJP-NWDGAFQWSA-N 2 0 297.240 2.633 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423473698 394283623 /nfs/dbraw/zinc/28/36/23/394283623.db2.gz QRUCCHKRMHPNPW-JBLDHEPKSA-N 2 0 297.240 2.632 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423473699 394283661 /nfs/dbraw/zinc/28/36/61/394283661.db2.gz QRUCCHKRMHPNPW-NHCYSSNCSA-N 2 0 297.240 2.632 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000423508059 394285261 /nfs/dbraw/zinc/28/52/61/394285261.db2.gz NIGJGWGCRHYWGI-UGFHNGPFSA-N 2 0 282.815 2.745 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(F)c1 ZINC000423506940 394285432 /nfs/dbraw/zinc/28/54/32/394285432.db2.gz MRSGFJLCESUDJY-CQDKDKBSSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H](NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1Cl ZINC000423513053 394285931 /nfs/dbraw/zinc/28/59/31/394285931.db2.gz CAFHFDZWHIZGNM-GXSJLCMTSA-N 2 0 289.206 2.632 20 0 CFADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccn(C)n1 ZINC000423509627 394286051 /nfs/dbraw/zinc/28/60/51/394286051.db2.gz LQAYDUZTTUBFJV-HZPDHXFCSA-N 2 0 286.423 2.941 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cnn(C)c1 ZINC000423512488 394286213 /nfs/dbraw/zinc/28/62/13/394286213.db2.gz USLZQDZLCFHISA-CZUORRHYSA-N 2 0 272.396 2.551 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C12CCCCC2 ZINC000423515747 394286838 /nfs/dbraw/zinc/28/68/38/394286838.db2.gz SXTUQAJIVHDLSV-FXUDXRNXSA-N 2 0 280.456 2.831 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000423517646 394288142 /nfs/dbraw/zinc/28/81/42/394288142.db2.gz BPVQNJUPPFJRMZ-KELMGXQASA-N 2 0 262.441 2.918 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)C ZINC000370638405 394288480 /nfs/dbraw/zinc/28/84/80/394288480.db2.gz XLEMFIWDZDQUPC-FXUDXRNXSA-N 2 0 282.472 2.900 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000423523639 394288842 /nfs/dbraw/zinc/28/88/42/394288842.db2.gz YWMFGCXYLDNRKM-ABFRBSLYSA-N 2 0 288.435 2.950 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423528446 394291162 /nfs/dbraw/zinc/29/11/62/394291162.db2.gz OEVGWJBWJMNJSO-QGZVFWFLSA-N 2 0 274.408 2.804 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000153761887 394291628 /nfs/dbraw/zinc/29/16/28/394291628.db2.gz WSSHRHBMQGXVBH-ZDUSSCGKSA-N 2 0 284.831 2.959 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(C2CCCC2)c1 ZINC000423535039 394293007 /nfs/dbraw/zinc/29/30/07/394293007.db2.gz BQYVGRCQOBHDKF-CQSZACIVSA-N 2 0 288.439 2.959 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534884 394293378 /nfs/dbraw/zinc/29/33/78/394293378.db2.gz BKGIPYCMUMIVOQ-ZDUSSCGKSA-N 2 0 264.438 2.969 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000423536786 394293383 /nfs/dbraw/zinc/29/33/83/394293383.db2.gz BABTWPZGYPXJBM-TYENPDHQSA-N 2 0 292.467 2.559 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539367 394293723 /nfs/dbraw/zinc/29/37/23/394293723.db2.gz IEOBHSLZUAMIAU-WUHRBBMRSA-N 2 0 280.437 2.795 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000423537162 394293805 /nfs/dbraw/zinc/29/38/05/394293805.db2.gz BWKDWNUAWCMUAQ-ZOFXXKQRSA-N 2 0 294.483 2.804 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423539336 394293831 /nfs/dbraw/zinc/29/38/31/394293831.db2.gz BFSVFXQHOVCDHF-NRSFXHEJSA-N 2 0 287.451 2.771 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423538982 394293940 /nfs/dbraw/zinc/29/39/40/394293940.db2.gz OGPYNMIQTBGXPL-HZPDHXFCSA-N 2 0 280.456 2.726 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000450498931 394294545 /nfs/dbraw/zinc/29/45/45/394294545.db2.gz HRGXUTKYEDULPV-KZNAEPCWSA-N 2 0 293.499 2.665 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(OC)c1 ZINC000423543483 394295086 /nfs/dbraw/zinc/29/50/86/394295086.db2.gz BYAOLMIFGNSTOZ-ZDUSSCGKSA-N 2 0 290.407 2.664 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423550377 394296245 /nfs/dbraw/zinc/29/62/45/394296245.db2.gz IHBFCSGMMJIORC-IJEWVQPXSA-N 2 0 276.424 2.919 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c(C)c1OC ZINC000423553640 394296381 /nfs/dbraw/zinc/29/63/81/394296381.db2.gz KOQUZSAWIIYXMB-CYBMUJFWSA-N 2 0 292.423 2.805 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CCC2)c1 ZINC000423550235 394296413 /nfs/dbraw/zinc/29/64/13/394296413.db2.gz SRRKLSDKHVYFKE-VDHUWJSZSA-N 2 0 285.435 2.901 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154380622 394296528 /nfs/dbraw/zinc/29/65/28/394296528.db2.gz SANXQPIXTOMNKY-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423565693 394298046 /nfs/dbraw/zinc/29/80/46/394298046.db2.gz SWBFSCSQKBVYRL-OAHLLOKOSA-N 2 0 288.435 2.916 20 0 CFADRP C[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)C[C@H]1c1ccccc1 ZINC000423564726 394298123 /nfs/dbraw/zinc/29/81/23/394298123.db2.gz SBNFXSCQIGSTGG-ROUUACIJSA-N 2 0 287.451 2.554 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(CC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000450645414 394308035 /nfs/dbraw/zinc/30/80/35/394308035.db2.gz UHAPAYVXBQOARQ-IRXDYDNUSA-N 2 0 289.467 2.533 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CC[C@@H](C)O)CC1)CC(C)C ZINC000450654089 394310842 /nfs/dbraw/zinc/31/08/42/394310842.db2.gz UVQSPUBMDIQYES-MRXNPFEDSA-N 2 0 284.488 2.837 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC000155820958 394323853 /nfs/dbraw/zinc/32/38/53/394323853.db2.gz USZRBKFJHVRMGC-SJORKVTESA-N 2 0 283.504 2.815 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(C)C)[C@H]1CCCO1 ZINC000450727515 394327926 /nfs/dbraw/zinc/32/79/26/394327926.db2.gz MPVJMHFPSHVCMY-HRCADAONSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H](C)O ZINC000450761275 394336639 /nfs/dbraw/zinc/33/66/39/394336639.db2.gz QZIWEMDAGFOQIG-PMPSAXMXSA-N 2 0 270.461 2.638 20 0 CFADRP CCCN(CC)CC[NH2+][C@H](C)CCc1ccco1 ZINC000156792607 394338328 /nfs/dbraw/zinc/33/83/28/394338328.db2.gz NRGTYOWDDOIYDM-CQSZACIVSA-N 2 0 252.402 2.922 20 0 CFADRP Cc1ccc2[nH+]ccc(N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c2c1 ZINC000450778796 394339845 /nfs/dbraw/zinc/33/98/45/394339845.db2.gz MKOWYJQVFPZWJG-DYVFJYSZSA-N 2 0 267.376 2.684 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cs1 ZINC000157091203 394342020 /nfs/dbraw/zinc/34/20/20/394342020.db2.gz BHLJLGKCJLVIIJ-SGMGOOAPSA-N 2 0 281.469 2.566 20 0 CFADRP C([NH+]1CCCCCC1)C1(C[NH+]2CCCCCC2)COC1 ZINC000157305276 394343716 /nfs/dbraw/zinc/34/37/16/394343716.db2.gz QMEURHDVLWXRQY-UHFFFAOYSA-N 2 0 280.456 2.755 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccncc2)C1 ZINC000450998967 394345724 /nfs/dbraw/zinc/34/57/24/394345724.db2.gz BMWZSVOWCYBXCQ-IAGOWNOFSA-N 2 0 273.424 2.745 20 0 CFADRP CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451021098 394347568 /nfs/dbraw/zinc/34/75/68/394347568.db2.gz BDKMDFIYQWDXSF-ZIAGYGMSSA-N 2 0 277.412 2.789 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCN(C)C1)CCC2 ZINC000158219075 394355783 /nfs/dbraw/zinc/35/57/83/394355783.db2.gz LHUHPLAHXSQZIG-QWHCGFSZSA-N 2 0 279.453 2.760 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494590177 394359115 /nfs/dbraw/zinc/35/91/15/394359115.db2.gz DCQZQVHMQDRDMG-UHFFFAOYSA-N 2 0 286.419 2.586 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+](C[C@@H]1CCCO1)C1CCCC1 ZINC000162035435 394367667 /nfs/dbraw/zinc/36/76/67/394367667.db2.gz XLXPNRKMQFIFOS-WBVHZDCISA-N 2 0 280.456 2.894 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1cccnc1 ZINC000164154522 394369123 /nfs/dbraw/zinc/36/91/23/394369123.db2.gz IPYNXXDUIZQWRS-UAGQMJEPSA-N 2 0 275.440 2.751 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528114809 394393190 /nfs/dbraw/zinc/39/31/90/394393190.db2.gz BRHPJSXJHGGCJD-HNNXBMFYSA-N 2 0 259.397 2.631 20 0 CFADRP CCC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCC1 ZINC000451273363 394372284 /nfs/dbraw/zinc/37/22/84/394372284.db2.gz HTOCMZXOEPPZIO-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)OC ZINC000453299434 394383297 /nfs/dbraw/zinc/38/32/97/394383297.db2.gz VKKJGWOOHGRFBR-RBZJEDDUSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000235696887 134999477 /nfs/dbraw/zinc/99/94/77/134999477.db2.gz PHMGIAFSMQXBLE-DLBZAZTESA-N 2 0 287.451 2.505 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000684963894 542880662 /nfs/dbraw/zinc/88/06/62/542880662.db2.gz PPGGGANUBXXFOD-KRWDZBQOSA-N 2 0 285.435 2.923 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000178408727 394387930 /nfs/dbraw/zinc/38/79/30/394387930.db2.gz FEYBTXIKHXQIRO-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C1C[C@@H]2C[C@@H]([NH+]3CCC[C@@]4(CCSC4)C3)CC[N@@H+]2C1 ZINC000453350371 394388876 /nfs/dbraw/zinc/38/88/76/394388876.db2.gz HXSHOZSLBKPNRX-OWCLPIDISA-N 2 0 280.481 2.832 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000453353491 394389340 /nfs/dbraw/zinc/38/93/40/394389340.db2.gz JFXFTZZDXCNIHW-ZACQAIPSSA-N 2 0 273.424 2.661 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214782 135058035 /nfs/dbraw/zinc/05/80/35/135058035.db2.gz RNKCEJGFTUOKJF-AWEZNQCLSA-N 2 0 261.413 2.932 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1CC=CC1 ZINC000527747220 394403534 /nfs/dbraw/zinc/40/35/34/394403534.db2.gz YZDKTERXYNVOSQ-UHFFFAOYSA-N 2 0 268.364 2.632 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529565375 394410808 /nfs/dbraw/zinc/41/08/08/394410808.db2.gz IFLNFGRIJAYURZ-RYUDHWBXSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(CO)c1 ZINC000528012084 394439021 /nfs/dbraw/zinc/43/90/21/394439021.db2.gz NQSOAPYKYNVFNX-KDOFPFPSSA-N 2 0 288.435 2.846 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000527944951 394429345 /nfs/dbraw/zinc/42/93/45/394429345.db2.gz DVYYVWKMKPRHQH-NJAFHUGGSA-N 2 0 293.499 2.713 20 0 CFADRP CN1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000527961936 394432736 /nfs/dbraw/zinc/43/27/36/394432736.db2.gz CJKWTKNPEOYVQB-INIZCTEOSA-N 2 0 259.397 2.607 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530208539 394481144 /nfs/dbraw/zinc/48/11/44/394481144.db2.gz HOUYPCZUMAOUNU-WCXIOVBPSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCCC1(C)C ZINC000530212134 394481828 /nfs/dbraw/zinc/48/18/28/394481828.db2.gz QYUFEIAKXGDGNT-AJNGGQMLSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530212516 394481870 /nfs/dbraw/zinc/48/18/70/394481870.db2.gz QPXKLOYSGJZLLW-KYQLBWAOSA-N 2 0 264.800 2.695 20 0 CFADRP FC(F)C1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530216122 394484341 /nfs/dbraw/zinc/48/43/41/394484341.db2.gz MRKAGVCPOGLRQH-MCIGGMRASA-N 2 0 258.356 2.685 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217162 394485402 /nfs/dbraw/zinc/48/54/02/394485402.db2.gz SCOFCOWXMFUZTM-KRWDZBQOSA-N 2 0 270.420 2.808 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000530218568 394486119 /nfs/dbraw/zinc/48/61/19/394486119.db2.gz CVEGDUYKVJCBGM-CABCVRRESA-N 2 0 250.430 2.744 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000530219546 394487148 /nfs/dbraw/zinc/48/71/48/394487148.db2.gz JUXHIQOMEKTPPY-HNNXBMFYSA-N 2 0 250.430 2.744 20 0 CFADRP CCC(CC)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243988 394494993 /nfs/dbraw/zinc/49/49/93/394494993.db2.gz UMVMQARBHTZIFN-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000530245664 394495612 /nfs/dbraw/zinc/49/56/12/394495612.db2.gz ZLWKIWRXFRBEIS-HNNXBMFYSA-N 2 0 264.800 2.917 20 0 CFADRP Cc1ccsc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249273 394496466 /nfs/dbraw/zinc/49/64/66/394496466.db2.gz UNAJDIUAOHXIQI-OAHLLOKOSA-N 2 0 294.464 2.647 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@@H]2CN(C)C[C@@H]2C)c(C)c1 ZINC000536829393 394571848 /nfs/dbraw/zinc/57/18/48/394571848.db2.gz YYYARIHWSBXSPJ-DOTOQJQBSA-N 2 0 260.425 2.694 20 0 CFADRP CC(C)[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccnc1 ZINC000538115995 394597990 /nfs/dbraw/zinc/59/79/90/394597990.db2.gz GYBTYDQVFJVLRW-ZBFHGGJFSA-N 2 0 261.413 2.710 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000540522701 394648760 /nfs/dbraw/zinc/64/87/60/394648760.db2.gz VUXKSJBWGZMVOV-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)Cc2ccsc2)C1 ZINC000542163536 394696979 /nfs/dbraw/zinc/69/69/79/394696979.db2.gz OIVJNNKNYXFYGW-ZFWWWQNUSA-N 2 0 266.454 2.953 20 0 CFADRP CC(C)[C@@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504373 394872055 /nfs/dbraw/zinc/87/20/55/394872055.db2.gz BRQCZXLNSDYAPB-KBAYOESNSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000556932337 395026240 /nfs/dbraw/zinc/02/62/40/395026240.db2.gz ZOMGRCIEWVLRCO-LLVKDONJSA-N 2 0 267.442 2.875 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000558711874 395073131 /nfs/dbraw/zinc/07/31/31/395073131.db2.gz NHJZUKGROJJKAK-GOEBONIOSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000558711873 395073487 /nfs/dbraw/zinc/07/34/87/395073487.db2.gz NHJZUKGROJJKAK-GDBMZVCRSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@H](O)CC3)CC2)C1 ZINC000557265626 395033678 /nfs/dbraw/zinc/03/36/78/395033678.db2.gz DKSDNHOWSWRKFO-ONIAQPFYSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000557266100 395033801 /nfs/dbraw/zinc/03/38/01/395033801.db2.gz LMLOBQUIZALNAL-LAQRGFTBSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000648406581 395129119 /nfs/dbraw/zinc/12/91/19/395129119.db2.gz VDXQBCOYPOOOIH-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](CC)CC2)CCO1 ZINC000648461123 395153379 /nfs/dbraw/zinc/15/33/79/395153379.db2.gz OANUOBIRQPZYNU-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000179954620 543008787 /nfs/dbraw/zinc/00/87/87/543008787.db2.gz MFTSCSLFRVDJDZ-CHWSQXEVSA-N 2 0 266.433 2.879 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC000648495903 395174852 /nfs/dbraw/zinc/17/48/52/395174852.db2.gz KZCAZZYNDCYIPE-SJORKVTESA-N 2 0 276.424 2.795 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CO1 ZINC000647168897 395195037 /nfs/dbraw/zinc/19/50/37/395195037.db2.gz QEXYIBOEXKIVDH-QAPCUYQASA-N 2 0 288.435 2.940 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000648556109 395198034 /nfs/dbraw/zinc/19/80/34/395198034.db2.gz TYZWLMZNNOVXGI-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCCc3ccccc3C1)CC2 ZINC000648591563 395209398 /nfs/dbraw/zinc/20/93/98/395209398.db2.gz JMCXKERJUJXCQY-HOTGVXAUSA-N 2 0 281.403 2.804 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc2n(n1)CCCC2 ZINC000647299315 395278817 /nfs/dbraw/zinc/27/88/17/395278817.db2.gz YPSVNDMEHLUHLG-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc2n(n1)CCCC2 ZINC000647307151 395283645 /nfs/dbraw/zinc/28/36/45/395283645.db2.gz SWNBOZLIUKEUPN-CQSZACIVSA-N 2 0 290.455 2.744 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647308335 395283835 /nfs/dbraw/zinc/28/38/35/395283835.db2.gz OBZWZATUWAZXFL-CABCVRRESA-N 2 0 290.455 2.602 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC1 ZINC000647342029 395303927 /nfs/dbraw/zinc/30/39/27/395303927.db2.gz GULGTJQYYCHVKQ-GASCZTMLSA-N 2 0 268.445 2.797 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000648698760 395273331 /nfs/dbraw/zinc/27/33/31/395273331.db2.gz FPYHYKOFPLRTFV-QGZVFWFLSA-N 2 0 274.408 2.611 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cscc2Cl)CC1 ZINC000647491890 395359021 /nfs/dbraw/zinc/35/90/21/395359021.db2.gz WWCOMIVATALLDL-VIFPVBQESA-N 2 0 258.818 2.961 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000647497305 395359832 /nfs/dbraw/zinc/35/98/32/395359832.db2.gz CGEVKEGCVHQMOP-IWCQGFGOSA-N 2 0 258.409 2.849 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(C)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497572 395360997 /nfs/dbraw/zinc/36/09/97/395360997.db2.gz MLHKZPWUJMEUFL-GJZGRUSLSA-N 2 0 262.397 2.563 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2nccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647498821 395363642 /nfs/dbraw/zinc/36/36/42/395363642.db2.gz RKAPPSMKXOHUPO-CJNGLKHVSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(C)c(OC)c(C)c2)CC[C@@H]1[NH3+] ZINC000647499020 395363891 /nfs/dbraw/zinc/36/38/91/395363891.db2.gz XAALRGXCCOZUNX-CVEARBPZSA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000647506283 395366938 /nfs/dbraw/zinc/36/69/38/395366938.db2.gz AZUNWEVMRZTKCI-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4cnccc4c3)C[C@H]21 ZINC000647511859 395367502 /nfs/dbraw/zinc/36/75/02/395367502.db2.gz NHBJIRCPXXNHPJ-KZNAEPCWSA-N 2 0 281.403 2.794 20 0 CFADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000647518308 395371958 /nfs/dbraw/zinc/37/19/58/395371958.db2.gz YZOJKTXYHKDQQS-RDJZCZTQSA-N 2 0 287.451 2.717 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647531308 395375997 /nfs/dbraw/zinc/37/59/97/395375997.db2.gz NOWBYIWKYCTBKM-UHFFFAOYSA-N 2 0 255.365 2.548 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543079 395384318 /nfs/dbraw/zinc/38/43/18/395384318.db2.gz HJPHATIAFHRYBT-HZPDHXFCSA-N 2 0 290.455 2.676 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543509 395384394 /nfs/dbraw/zinc/38/43/94/395384394.db2.gz OMJMUIZDVPTDRM-DLBZAZTESA-N 2 0 288.435 2.907 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543004 395384957 /nfs/dbraw/zinc/38/49/57/395384957.db2.gz GKOFCPXWKNNQSA-LSDHHAIUSA-N 2 0 293.480 2.972 20 0 CFADRP Cc1ccncc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543691 395385447 /nfs/dbraw/zinc/38/54/47/395385447.db2.gz RDTUDEAPUWZAMX-HZPDHXFCSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ccncc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543690 395385625 /nfs/dbraw/zinc/38/56/25/395385625.db2.gz RDTUDEAPUWZAMX-HOTGVXAUSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543978 395385947 /nfs/dbraw/zinc/38/59/47/395385947.db2.gz VEURSORLOAAXIU-KGLIPLIRSA-N 2 0 279.453 2.663 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543721 395386063 /nfs/dbraw/zinc/38/60/63/395386063.db2.gz RMBREDHAWLCJIS-DLBZAZTESA-N 2 0 273.424 2.602 20 0 CFADRP Cc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543977 395386164 /nfs/dbraw/zinc/38/61/64/395386164.db2.gz VEURSORLOAAXIU-KBPBESRZSA-N 2 0 279.453 2.663 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543645 395386331 /nfs/dbraw/zinc/38/63/31/395386331.db2.gz QVKBSKLCKULCGY-DLBZAZTESA-N 2 0 288.435 2.907 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000647548604 395386966 /nfs/dbraw/zinc/38/69/66/395386966.db2.gz KGKMWYUBWWMMTN-RRFJBIMHSA-N 2 0 292.398 2.702 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647546470 395387200 /nfs/dbraw/zinc/38/72/00/395387200.db2.gz LXXINDHIKXBHJV-BFYDXBDKSA-N 2 0 273.424 2.596 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647548485 395387247 /nfs/dbraw/zinc/38/72/47/395387247.db2.gz CVIQRFPVPGDTJY-GVDBMIGSSA-N 2 0 294.483 2.951 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549898 395389400 /nfs/dbraw/zinc/38/94/00/395389400.db2.gz WUUCCQADIZLBHL-CORIIIEPSA-N 2 0 294.826 2.826 20 0 CFADRP COCC[N@H+](CCCC1CC[NH2+]CC1)Cc1cccs1 ZINC000647872609 395448177 /nfs/dbraw/zinc/44/81/77/395448177.db2.gz HASOCNXGBJKBNV-UHFFFAOYSA-N 2 0 296.480 2.976 20 0 CFADRP c1cncc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000647987993 395473417 /nfs/dbraw/zinc/47/34/17/395473417.db2.gz CHUNOZRGTRMMNI-QGZVFWFLSA-N 2 0 273.424 2.998 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@H+](C2CC2)C2CCCCC2)n1 ZINC000647877054 395450261 /nfs/dbraw/zinc/45/02/61/395450261.db2.gz GYPXAHREUGUGNQ-UHFFFAOYSA-N 2 0 278.400 2.561 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647881182 395450816 /nfs/dbraw/zinc/45/08/16/395450816.db2.gz OHEMJXWPBFHBPC-DYVFJYSZSA-N 2 0 256.393 2.748 20 0 CFADRP Fc1ccccc1CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647884334 395452227 /nfs/dbraw/zinc/45/22/27/395452227.db2.gz CHLOSZUXSQJTFK-HNNXBMFYSA-N 2 0 276.399 2.690 20 0 CFADRP CC(C)C[C@@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647884572 395452262 /nfs/dbraw/zinc/45/22/62/395452262.db2.gz FZSOKJXRQIBVJR-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884099 395452386 /nfs/dbraw/zinc/45/23/86/395452386.db2.gz HJWHRVCFDXBNFH-RDJZCZTQSA-N 2 0 258.409 2.611 20 0 CFADRP Clc1ccc([C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647884980 395452408 /nfs/dbraw/zinc/45/24/08/395452408.db2.gz SBEHJHBGWPHCEU-TZMCWYRMSA-N 2 0 264.800 2.739 20 0 CFADRP Clc1ccc([C@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647884978 395452556 /nfs/dbraw/zinc/45/25/56/395452556.db2.gz SBEHJHBGWPHCEU-JSGCOSHPSA-N 2 0 264.800 2.739 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000647889386 395453359 /nfs/dbraw/zinc/45/33/59/395453359.db2.gz LVTLRQBOBCMANO-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647889440 395453548 /nfs/dbraw/zinc/45/35/48/395453548.db2.gz QTPUEBGFTCOGRT-OAHLLOKOSA-N 2 0 260.425 2.814 20 0 CFADRP c1ccc([C@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647890165 395454043 /nfs/dbraw/zinc/45/40/43/395454043.db2.gz VZWUYIUZIIBQED-GOSISDBHSA-N 2 0 288.435 2.840 20 0 CFADRP c1ccc2c(c1)CCC[C@]21CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890724 395454091 /nfs/dbraw/zinc/45/40/91/395454091.db2.gz JVDHUEWLRVRDDO-VQIMIIECSA-N 2 0 284.447 2.966 20 0 CFADRP Fc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647890023 395454230 /nfs/dbraw/zinc/45/42/30/395454230.db2.gz HWYIHEGJOHXVGX-CJNGLKHVSA-N 2 0 262.372 2.962 20 0 CFADRP CC[C@H]1C[N@H+](CCCOCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000647937241 395461775 /nfs/dbraw/zinc/46/17/75/395461775.db2.gz UAALTHRECGQRMO-ROUUACIJSA-N 2 0 290.451 2.695 20 0 CFADRP Cc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)CC2CC2)cn1 ZINC000647995438 395474777 /nfs/dbraw/zinc/47/47/77/395474777.db2.gz YOYMDZHHYFMWJZ-HNNXBMFYSA-N 2 0 273.424 2.602 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977926 395471406 /nfs/dbraw/zinc/47/14/06/395471406.db2.gz JXOYGXLGBRKMRQ-HZPDHXFCSA-N 2 0 268.445 2.515 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975955 395471690 /nfs/dbraw/zinc/47/16/90/395471690.db2.gz ICQLYLGDHOFTCX-IAGOWNOFSA-N 2 0 288.435 2.777 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976858 395471840 /nfs/dbraw/zinc/47/18/40/395471840.db2.gz VGUDWNMBXBRXNT-JKSUJKDBSA-N 2 0 268.445 2.515 20 0 CFADRP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000647784445 395427821 /nfs/dbraw/zinc/42/78/21/395427821.db2.gz UKLSCKDNVVPHNJ-QNWHQSFQSA-N 2 0 279.453 2.744 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000647786497 395427836 /nfs/dbraw/zinc/42/78/36/395427836.db2.gz QTIXQMFJAQZMII-VWNJHIHFSA-N 2 0 276.399 2.907 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c21 ZINC000647785968 395427883 /nfs/dbraw/zinc/42/78/83/395427883.db2.gz GYEUMHPCDSSSQV-DJIMGWMZSA-N 2 0 297.446 2.997 20 0 CFADRP c1ccc2nc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000647784174 395427899 /nfs/dbraw/zinc/42/78/99/395427899.db2.gz LDKWIKDUAZTFSJ-HRCADAONSA-N 2 0 281.403 2.713 20 0 CFADRP Clc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786140 395427956 /nfs/dbraw/zinc/42/79/56/395427956.db2.gz JBOZOTNWZXGYKU-UMVBOHGHSA-N 2 0 294.826 2.697 20 0 CFADRP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000647784446 395428077 /nfs/dbraw/zinc/42/80/77/395428077.db2.gz UKLSCKDNVVPHNJ-UMSGYPCISA-N 2 0 279.453 2.744 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Oc1ccc(F)cc1 ZINC000647789013 395428694 /nfs/dbraw/zinc/42/86/94/395428694.db2.gz WVIQMVMWYNYSJQ-ORIJERBGSA-N 2 0 292.398 2.571 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)nc21 ZINC000647788176 395429000 /nfs/dbraw/zinc/42/90/00/395429000.db2.gz DJDCKXCTAQXXLG-QLFBSQMISA-N 2 0 299.418 2.656 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788766 395429048 /nfs/dbraw/zinc/42/90/48/395429048.db2.gz QEYPGLREKONXFY-BRWVUGGUSA-N 2 0 288.435 2.742 20 0 CFADRP Fc1ccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647791658 395429678 /nfs/dbraw/zinc/42/96/78/395429678.db2.gz JRRDQQOGIPJGBL-WOSRLPQWSA-N 2 0 274.383 2.793 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647793279 395430475 /nfs/dbraw/zinc/43/04/75/395430475.db2.gz RSMQLIXKGDVSLS-LCGIIJARSA-N 2 0 276.424 2.887 20 0 CFADRP Clc1ccccc1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793643 395430540 /nfs/dbraw/zinc/43/05/40/395430540.db2.gz CKMOOHRHYBZJBX-MELADBBJSA-N 2 0 294.826 2.697 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647794402 395431084 /nfs/dbraw/zinc/43/10/84/395431084.db2.gz ZOXSSDFXVPHNIQ-YESZJQIVSA-N 2 0 287.451 2.857 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000647794043 395431501 /nfs/dbraw/zinc/43/15/01/395431501.db2.gz PLIWIAAISSXZHE-QCODTGAPSA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647795911 395432069 /nfs/dbraw/zinc/43/20/69/395432069.db2.gz ZJIMTXGQSJXNSJ-RVMXOQNASA-N 2 0 278.362 2.941 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798635 395432633 /nfs/dbraw/zinc/43/26/33/395432633.db2.gz UNQIFQCEGZNWIL-VGVBULKLSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2O1 ZINC000647798452 395432867 /nfs/dbraw/zinc/43/28/67/395432867.db2.gz QWMUHEKMTMUKNV-OWVAZHOYSA-N 2 0 286.419 2.876 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647798251 395432990 /nfs/dbraw/zinc/43/29/90/395432990.db2.gz NRVRYGXTINXLAN-IBEHDNSVSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000647800466 395433397 /nfs/dbraw/zinc/43/33/97/395433397.db2.gz BPNQAMDJJNMLCG-OLZOCXBDSA-N 2 0 280.437 2.647 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800597 395433411 /nfs/dbraw/zinc/43/34/11/395433411.db2.gz HBLXRRCGCBOBLA-AVGNSLFASA-N 2 0 280.437 2.645 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799979 395433601 /nfs/dbraw/zinc/43/36/01/395433601.db2.gz VTLNOCFHCZEHGO-UOZBHZCFSA-N 2 0 274.383 2.659 20 0 CFADRP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799572 395434010 /nfs/dbraw/zinc/43/40/10/395434010.db2.gz LCMWEDNXNIFBFQ-FITYOTRXSA-N 2 0 274.383 2.601 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800787 395434776 /nfs/dbraw/zinc/43/47/76/395434776.db2.gz KMKJRLVXNFRMJO-DZUCGIPZSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647803249 395435782 /nfs/dbraw/zinc/43/57/82/395435782.db2.gz PIPSDNCOHSKVAT-LBPRGKRZSA-N 2 0 260.406 2.928 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647804509 395436990 /nfs/dbraw/zinc/43/69/90/395436990.db2.gz SQQJGZSXBUEZJK-HCVDEJBSSA-N 2 0 258.409 2.723 20 0 CFADRP FC1(F)CC[C@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000649351944 395476769 /nfs/dbraw/zinc/47/67/69/395476769.db2.gz YCRXWTBHAUMENK-ZDUSSCGKSA-N 2 0 281.350 2.639 20 0 CFADRP c1ccc2oc([C@H]3CCC[N@@H+](C[C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000649411604 395489554 /nfs/dbraw/zinc/48/95/54/395489554.db2.gz KCUSOYKBQRBEDW-KGLIPLIRSA-N 2 0 285.391 2.617 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000648068429 395495865 /nfs/dbraw/zinc/49/58/65/395495865.db2.gz YEUBHNGELYXMPC-DZUCGIPZSA-N 2 0 258.409 2.577 20 0 CFADRP CC(C)O[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000649699066 395553982 /nfs/dbraw/zinc/55/39/82/395553982.db2.gz IGLOPQAJHFJKDA-CVEARBPZSA-N 2 0 268.445 2.750 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309924216 413079834 /nfs/dbraw/zinc/07/98/34/413079834.db2.gz WWSWTUSOMKAQAQ-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP COC[C@H](C)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000187714285 543059739 /nfs/dbraw/zinc/05/97/39/543059739.db2.gz BVWBQSVYXOPRLR-MRXNPFEDSA-N 2 0 290.451 2.771 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1F ZINC000311450348 413087288 /nfs/dbraw/zinc/08/72/88/413087288.db2.gz JBQLWUFUHGUQFD-HOCLYGCPSA-N 2 0 262.372 2.695 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)CO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382033483 543093530 /nfs/dbraw/zinc/09/35/30/543093530.db2.gz FMODIYUAKYAPPO-NVXWUHKLSA-N 2 0 290.451 2.505 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CCCC1 ZINC000248849004 289094525 /nfs/dbraw/zinc/09/45/25/289094525.db2.gz ACPOUUJUCCLARD-ARFHVFGLSA-N 2 0 294.483 2.902 20 0 CFADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020524734 292075952 /nfs/dbraw/zinc/07/59/52/292075952.db2.gz HFXKPFCUBJCLAZ-ZDUSSCGKSA-N 2 0 256.434 2.652 20 0 CFADRP [NH3+]Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000316724079 413103686 /nfs/dbraw/zinc/10/36/86/413103686.db2.gz JXUAIXTVWMCDFH-UHFFFAOYSA-N 2 0 299.374 2.586 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401097674 413159862 /nfs/dbraw/zinc/15/98/62/413159862.db2.gz BRGQKAHPXPISAW-IXDOHACOSA-N 2 0 258.409 2.515 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917789 397550911 /nfs/dbraw/zinc/55/09/11/397550911.db2.gz BHKPGUXBXRLTSO-AEFFLSMTSA-N 2 0 288.435 2.838 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000038000164 397551583 /nfs/dbraw/zinc/55/15/83/397551583.db2.gz VRRHQXGVYAGWRK-JSGCOSHPSA-N 2 0 250.411 2.712 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000650497702 397812629 /nfs/dbraw/zinc/81/26/29/397812629.db2.gz TTYZVFLQCUTAPA-KRWDZBQOSA-N 2 0 276.399 2.789 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)CC[N@@H+]1C ZINC000650760631 397886156 /nfs/dbraw/zinc/88/61/56/397886156.db2.gz JBQCLSJIURVXQA-HYVNUMGLSA-N 2 0 287.451 2.876 20 0 CFADRP CCC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccnc1 ZINC000650762627 397887080 /nfs/dbraw/zinc/88/70/80/397887080.db2.gz GKEUPGOLRCKQLZ-INIZCTEOSA-N 2 0 261.413 2.902 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000650761819 397887097 /nfs/dbraw/zinc/88/70/97/397887097.db2.gz LDVHGCWVDOGSNS-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703471 397859880 /nfs/dbraw/zinc/85/98/80/397859880.db2.gz AXEROPHATJVUFW-WMLDXEAASA-N 2 0 258.409 2.782 20 0 CFADRP CC[C@H]1CCC[C@H](C[NH+]2CCC([NH2+]CCOC)CC2)C1 ZINC000650704771 397860574 /nfs/dbraw/zinc/86/05/74/397860574.db2.gz ZQMJBMKYGGVXHD-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC000650705647 397860750 /nfs/dbraw/zinc/86/07/50/397860750.db2.gz PAQYIINPPLJOGL-INMHGKMJSA-N 2 0 292.398 2.544 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763186 397887782 /nfs/dbraw/zinc/88/77/82/397887782.db2.gz TYLNFDOKWSIQCZ-HUUCEWRRSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707662 397861917 /nfs/dbraw/zinc/86/19/17/397861917.db2.gz KLAYEMLTEJTABZ-XHSDSOJGSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707776 397861924 /nfs/dbraw/zinc/86/19/24/397861924.db2.gz MXOJKUYYWMONBG-ZNMIVQPWSA-N 2 0 268.445 2.641 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763224 397887851 /nfs/dbraw/zinc/88/78/51/397887851.db2.gz VHURTJRCKQVOFN-CVEARBPZSA-N 2 0 282.472 2.950 20 0 CFADRP CC[N@H+](CCCNC[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000650710163 397863208 /nfs/dbraw/zinc/86/32/08/397863208.db2.gz GMHCVBKVLUNIEV-KRWDZBQOSA-N 2 0 281.488 2.620 20 0 CFADRP [NH3+]CC1(CC[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000650713303 397865065 /nfs/dbraw/zinc/86/50/65/397865065.db2.gz NNPBEWXCDPGUGU-UPHRSURJSA-N 2 0 266.335 2.697 20 0 CFADRP CCn1cc(C[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C(C)C)cn1 ZINC000650715141 397865478 /nfs/dbraw/zinc/86/54/78/397865478.db2.gz RGSARVGUXMCUDA-CABCVRRESA-N 2 0 278.444 2.502 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC[C@H]2CCc3ccccc3N2)CC1 ZINC000650721053 397870546 /nfs/dbraw/zinc/87/05/46/397870546.db2.gz NXPDMWHRQNSSDJ-BDVYOWHSSA-N 2 0 287.451 2.911 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CC[C@@H]2CCc3ccccc3N2)CC[NH2+]1 ZINC000650720971 397870584 /nfs/dbraw/zinc/87/05/84/397870584.db2.gz KDRHJGKFCRZFNO-INMHGKMJSA-N 2 0 287.451 2.781 20 0 CFADRP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724224 397871035 /nfs/dbraw/zinc/87/10/35/397871035.db2.gz AGWRRMAMHNAMTF-SUMWQHHRSA-N 2 0 276.399 2.787 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC2CCCCC2)C1 ZINC000650723546 397871415 /nfs/dbraw/zinc/87/14/15/397871415.db2.gz PYCCFGNORKYAAJ-IXDOHACOSA-N 2 0 280.456 2.928 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723161 397871721 /nfs/dbraw/zinc/87/17/21/397871721.db2.gz IDXYNEQUGQWFTO-RBSFLKMASA-N 2 0 268.445 2.783 20 0 CFADRP CC[C@H](OCC[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000650741558 397875943 /nfs/dbraw/zinc/87/59/43/397875943.db2.gz GLJYHGREGZEBFN-XHSDSOJGSA-N 2 0 262.397 2.624 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650743535 397877407 /nfs/dbraw/zinc/87/74/07/397877407.db2.gz VVDVHTLDJYECKP-MRXNPFEDSA-N 2 0 274.408 2.791 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1N(C)C ZINC000650745642 397878666 /nfs/dbraw/zinc/87/86/66/397878666.db2.gz LBGKKGGIJOIRAG-LBPRGKRZSA-N 2 0 279.403 2.671 20 0 CFADRP CC(C)C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccn1 ZINC000650745555 397878806 /nfs/dbraw/zinc/87/88/06/397878806.db2.gz JHKOMYXPWMOTMU-HNNXBMFYSA-N 2 0 261.413 2.887 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000650745714 397878999 /nfs/dbraw/zinc/87/89/99/397878999.db2.gz MHLNQQZXYVUJGO-HNNXBMFYSA-N 2 0 276.449 2.736 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000650746436 397879454 /nfs/dbraw/zinc/87/94/54/397879454.db2.gz CBILPPWTZCCWLO-CQSZACIVSA-N 2 0 276.428 2.750 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCCO2 ZINC000650746075 397879587 /nfs/dbraw/zinc/87/95/87/397879587.db2.gz VKGHQFHAGRFYNJ-HNNXBMFYSA-N 2 0 290.407 2.628 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCCO2 ZINC000650746076 397879692 /nfs/dbraw/zinc/87/96/92/397879692.db2.gz VKGHQFHAGRFYNJ-OAHLLOKOSA-N 2 0 290.407 2.628 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000650746398 397879740 /nfs/dbraw/zinc/87/97/40/397879740.db2.gz BJPZXWHYOKJHTH-HNNXBMFYSA-N 2 0 259.397 2.641 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccnn1-c1ccccc1 ZINC000650747258 397880277 /nfs/dbraw/zinc/88/02/77/397880277.db2.gz VXISYGINTFYJSO-CQSZACIVSA-N 2 0 284.407 2.652 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CN2 ZINC000650747856 397880446 /nfs/dbraw/zinc/88/04/46/397880446.db2.gz IYZDHJKNUASVBY-RNIPGJKVSA-N 2 0 299.462 2.924 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650751783 397882854 /nfs/dbraw/zinc/88/28/54/397882854.db2.gz AUZLOOXFKMOWNT-TWMKSMIVSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@@H]1CC1(C)C ZINC000650754318 397883743 /nfs/dbraw/zinc/88/37/43/397883743.db2.gz GGBGKOUQPYOFCR-MFKMUULPSA-N 2 0 250.361 2.809 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754684 397883750 /nfs/dbraw/zinc/88/37/50/397883750.db2.gz OOZCXSYUKCWRQL-CJNGLKHVSA-N 2 0 280.387 2.579 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000650756078 397884512 /nfs/dbraw/zinc/88/45/12/397884512.db2.gz UCEGIDVGKROPMB-ROUUACIJSA-N 2 0 281.403 2.640 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422781491 533674560 /nfs/dbraw/zinc/67/45/60/533674560.db2.gz FDMXUYKOTWTMSU-WLYUNCDWSA-N 2 0 292.423 2.570 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](CC)CO1 ZINC000403886801 413181696 /nfs/dbraw/zinc/18/16/96/413181696.db2.gz VLWBLBKKCLBOPU-ZWKOTPCHSA-N 2 0 288.435 2.722 20 0 CFADRP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000403888104 413182970 /nfs/dbraw/zinc/18/29/70/413182970.db2.gz WARFZFVRRXXXOD-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1OC ZINC000404301003 413195611 /nfs/dbraw/zinc/19/56/11/413195611.db2.gz ZKMSIOFAWKTNOG-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423039159 292153754 /nfs/dbraw/zinc/15/37/54/292153754.db2.gz PZKLSSULPRRUMY-PRLABOORSA-N 2 0 268.445 2.559 20 0 CFADRP COc1cccc2c(N[C@@H]3CC[N@@H+](C4CC4)C3)ccnc12 ZINC000663425827 413204907 /nfs/dbraw/zinc/20/49/07/413204907.db2.gz XAKZWFDOHXSBEF-GFCCVEGCSA-N 2 0 283.375 2.892 20 0 CFADRP C[C@H]1CCC[N@H+](CCOc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404428228 413206565 /nfs/dbraw/zinc/20/65/65/413206565.db2.gz MXTIKTRIVSWQBR-DZGCQCFKSA-N 2 0 280.387 2.654 20 0 CFADRP CSC1(C[NH+]2CCC(C[NH+](C)C)CC2)CCC1 ZINC000356082569 155157808 /nfs/dbraw/zinc/15/78/08/155157808.db2.gz IHTPNBCNUKKKFD-UHFFFAOYSA-N 2 0 256.459 2.546 20 0 CFADRP C[N@H+](CCOc1ccncc1)Cc1ccc(F)cc1 ZINC000356101874 155162055 /nfs/dbraw/zinc/16/20/55/155162055.db2.gz VDRXGJFNATXAJH-UHFFFAOYSA-N 2 0 260.312 2.732 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663451184 413213118 /nfs/dbraw/zinc/21/31/18/413213118.db2.gz PJJDEDQAQGNBNA-LBPRGKRZSA-N 2 0 258.369 2.705 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000356170321 155176697 /nfs/dbraw/zinc/17/66/97/155176697.db2.gz SPRKUEUYIJXJPM-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP CCOC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCC1 ZINC000311699930 286009278 /nfs/dbraw/zinc/00/92/78/286009278.db2.gz LUTIJHPQGYVBGW-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000404920987 413219846 /nfs/dbraw/zinc/21/98/46/413219846.db2.gz YBYZYXBMWUGKHR-LSDHHAIUSA-N 2 0 258.409 2.648 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373293634 286024712 /nfs/dbraw/zinc/02/47/12/286024712.db2.gz OCXRQZINWQVOIF-HPBDAGMYSA-N 2 0 288.435 2.979 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000663467549 413223644 /nfs/dbraw/zinc/22/36/44/413223644.db2.gz GPIPKEPWMCUZAZ-GOEBONIOSA-N 2 0 250.430 2.887 20 0 CFADRP FCC1(CF)CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466327 413224524 /nfs/dbraw/zinc/22/45/24/413224524.db2.gz QZZVPLTYXVPKBW-CQSZACIVSA-N 2 0 286.410 2.786 20 0 CFADRP Cc1ncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784473 413224022 /nfs/dbraw/zinc/22/40/22/413224022.db2.gz DKGLZYPIHNNDDM-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP CC1(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCC1 ZINC000656784086 413225317 /nfs/dbraw/zinc/22/53/17/413225317.db2.gz YWBCEANDBYCWAF-HNNXBMFYSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467596 413226015 /nfs/dbraw/zinc/22/60/15/413226015.db2.gz GWIQIJOVWPKIFN-HOCLYGCPSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656786237 413226586 /nfs/dbraw/zinc/22/65/86/413226586.db2.gz QMFPSKASBAYDBD-OAHLLOKOSA-N 2 0 293.480 2.972 20 0 CFADRP CC1(C)C[N@H+](CC2CC[NH2+]CC2)CCc2ccccc21 ZINC000656787755 413231302 /nfs/dbraw/zinc/23/13/02/413231302.db2.gz UFXUXSKJWXHASH-UHFFFAOYSA-N 2 0 272.436 2.822 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC000663468048 413231538 /nfs/dbraw/zinc/23/15/38/413231538.db2.gz JZRQEWYQWGQQNA-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000656787714 413231959 /nfs/dbraw/zinc/23/19/59/413231959.db2.gz SJTNOWAAUYQNTO-CABCVRRESA-N 2 0 258.409 2.741 20 0 CFADRP Clc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000656786860 413230964 /nfs/dbraw/zinc/23/09/64/413230964.db2.gz BRIIRBXMSIXEEA-ZDUSSCGKSA-N 2 0 293.842 2.508 20 0 CFADRP CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660305364 413235225 /nfs/dbraw/zinc/23/52/25/413235225.db2.gz KZMZQQHTLUPYII-PMPSAXMXSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656789537 413235471 /nfs/dbraw/zinc/23/54/71/413235471.db2.gz PTSXSUARTBQXSM-NVXWUHKLSA-N 2 0 293.499 2.891 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC=CC2)[C@@H](C)C1 ZINC000660305279 413234367 /nfs/dbraw/zinc/23/43/67/413234367.db2.gz JZXHMHIIFXRQCC-RDJZCZTQSA-N 2 0 280.456 2.679 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471105 413234938 /nfs/dbraw/zinc/23/49/38/413234938.db2.gz WPMGDMVZOMXIEZ-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C12CCC2 ZINC000308398686 286110539 /nfs/dbraw/zinc/11/05/39/286110539.db2.gz UIRKVOWWHWDTCK-GJZGRUSLSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@H+](CCCNC(=O)CCC(C)(C)[NH3+])C1CCCCC1 ZINC000653200744 413238060 /nfs/dbraw/zinc/23/80/60/413238060.db2.gz OKRAQWKQWYFJOX-UHFFFAOYSA-N 2 0 297.487 2.665 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000663493504 413240646 /nfs/dbraw/zinc/24/06/46/413240646.db2.gz IMNKAFAEXCOEPZ-FHLIZLRMSA-N 2 0 289.467 2.645 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000663493503 413241413 /nfs/dbraw/zinc/24/14/13/413241413.db2.gz IMNKAFAEXCOEPZ-BMGDILEWSA-N 2 0 289.467 2.645 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nccc2ccccc21 ZINC000663497509 413242157 /nfs/dbraw/zinc/24/21/57/413242157.db2.gz BBEJOZHJEVOPDF-OAHLLOKOSA-N 2 0 257.381 2.698 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC[NH2+]1 ZINC000663500312 413244038 /nfs/dbraw/zinc/24/40/38/413244038.db2.gz JQVPZYYNHMXYLI-SOLBZPMBSA-N 2 0 287.451 2.585 20 0 CFADRP CO[C@]1(C)C[C@@H]([N@H+](C)CC[C@H]2CCC[NH+]2C)C1(C)C ZINC000252656874 286164532 /nfs/dbraw/zinc/16/45/32/286164532.db2.gz WJTXYPOGJHPRHF-IIAWOOMASA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000663500437 413247473 /nfs/dbraw/zinc/24/74/73/413247473.db2.gz SGVLRSQGAJTUAB-OAHLLOKOSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000663502051 413250607 /nfs/dbraw/zinc/25/06/07/413250607.db2.gz DXILUAUSNNAVJQ-SWLSCSKDSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000663502438 413250950 /nfs/dbraw/zinc/25/09/50/413250950.db2.gz JBCBBHKIKAZGMK-BPQIPLTHSA-N 2 0 289.467 2.785 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCCCC1 ZINC000423142290 292249795 /nfs/dbraw/zinc/24/97/95/292249795.db2.gz UYSWXXRMWHOZLF-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000353539249 292250167 /nfs/dbraw/zinc/25/01/67/292250167.db2.gz KNYHCBASNNLFNF-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C12CCCC2 ZINC000423334773 286279140 /nfs/dbraw/zinc/27/91/40/286279140.db2.gz REFBABFKFLVWTI-HUUCEWRRSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1(C)C ZINC000423294366 286285769 /nfs/dbraw/zinc/28/57/69/286285769.db2.gz UHWYTHOYLVANDJ-APHBMKBZSA-N 2 0 276.424 3.000 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423116184 296665492 /nfs/dbraw/zinc/66/54/92/296665492.db2.gz ZTWDTOAMTIGKCY-DUFGSWQCSA-N 2 0 272.392 2.630 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834078 286288257 /nfs/dbraw/zinc/28/82/57/286288257.db2.gz HKBIZEHMNMDFIA-BYNSBNAKSA-N 2 0 268.445 2.700 20 0 CFADRP C[NH2+]C[C@H](C)N[C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000663514162 413258131 /nfs/dbraw/zinc/25/81/31/413258131.db2.gz NSCRHICTBMPIJE-RYUDHWBXSA-N 2 0 286.366 2.807 20 0 CFADRP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCCC[C@H]1C ZINC000660368434 413267684 /nfs/dbraw/zinc/26/76/84/413267684.db2.gz ROSVFRDNBOZNDL-BZUAXINKSA-N 2 0 270.461 2.588 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356825774 155381881 /nfs/dbraw/zinc/38/18/81/155381881.db2.gz ASFJZSKZPLZNNJ-XHSDSOJGSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C12CCCC2 ZINC000423334776 286384246 /nfs/dbraw/zinc/38/42/46/286384246.db2.gz REFBABFKFLVWTI-LSDHHAIUSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000422805670 286395566 /nfs/dbraw/zinc/39/55/66/286395566.db2.gz MMGNUHXMGJMBTJ-XUWVNRHRSA-N 2 0 280.456 2.702 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000345840192 154279424 /nfs/dbraw/zinc/27/94/24/154279424.db2.gz FKUHXUIEJFAPOA-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC000348052616 154298875 /nfs/dbraw/zinc/29/88/75/154298875.db2.gz YXLIGYOHCZYVHZ-SJORKVTESA-N 2 0 283.504 2.532 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348091928 154315419 /nfs/dbraw/zinc/31/54/19/154315419.db2.gz ZCVWZFBISWYGDL-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CCc2csc(C)n2)C[C@H]1C ZINC000348187080 154355042 /nfs/dbraw/zinc/35/50/42/154355042.db2.gz GHZKKECQWDVLFO-DOMZBBRYSA-N 2 0 281.469 2.799 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CCCOC3)CC2)C1 ZINC000348202647 154361990 /nfs/dbraw/zinc/36/19/90/154361990.db2.gz ASPPITZWLLZVCC-MAUKXSAKSA-N 2 0 292.467 2.966 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000348275545 154391118 /nfs/dbraw/zinc/39/11/18/154391118.db2.gz CUKKPEMLSHATEA-NILFDRSVSA-N 2 0 298.377 2.931 20 0 CFADRP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000352040548 154452051 /nfs/dbraw/zinc/45/20/51/154452051.db2.gz PJMDYSDLQMVPET-NVXWUHKLSA-N 2 0 282.472 2.900 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000414089855 286443201 /nfs/dbraw/zinc/44/32/01/286443201.db2.gz CYLDGAHIXVDASX-RBSFLKMASA-N 2 0 270.461 2.758 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000660416629 413297405 /nfs/dbraw/zinc/29/74/05/413297405.db2.gz UXQDRMSRBDCZQB-IRXDYDNUSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000358040115 155611936 /nfs/dbraw/zinc/61/19/36/155611936.db2.gz BSSGAQXGGBKURD-DZKIICNBSA-N 2 0 268.445 2.654 20 0 CFADRP COc1cc(C[N@H+](C)CCC2CC[NH2+]CC2)cc(OC)c1 ZINC000359195454 156020023 /nfs/dbraw/zinc/02/00/23/156020023.db2.gz SSNIOMWASCIJOH-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP C[N@H+](CCCc1ccsc1)C[C@@H]1CCC[NH+](C)C1 ZINC000360971085 156064528 /nfs/dbraw/zinc/06/45/28/156064528.db2.gz YGMJMIZCRVLYFA-HNNXBMFYSA-N 2 0 266.454 2.954 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCC2(CC2)CC1)N1CC[NH+](C)CC1 ZINC000362925125 156116484 /nfs/dbraw/zinc/11/64/84/156116484.db2.gz RCLXYNDLKUVECQ-KRWDZBQOSA-N 2 0 293.499 2.571 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C(C)C ZINC000362977552 156134780 /nfs/dbraw/zinc/13/47/80/156134780.db2.gz RVNAOASVOFONPI-KLHDSHLOSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000363844415 156198315 /nfs/dbraw/zinc/19/83/15/156198315.db2.gz PRXDQRIYJNLVAG-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP CCSCC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000363946758 156208631 /nfs/dbraw/zinc/20/86/31/156208631.db2.gz DAIBLYNMZXGMHU-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP CSC1(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCC1 ZINC000365666279 156230278 /nfs/dbraw/zinc/23/02/78/156230278.db2.gz ZGELKVILVCHKHY-ZDUSSCGKSA-N 2 0 256.459 2.688 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366849672 156245861 /nfs/dbraw/zinc/24/58/61/156245861.db2.gz ITARMKARWLSDFL-MSOLQXFVSA-N 2 0 295.515 2.769 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCCF)CC2)C1CC1 ZINC000367133494 156285796 /nfs/dbraw/zinc/28/57/96/156285796.db2.gz NIAKFOMPKKMAKU-AWEZNQCLSA-N 2 0 268.420 2.932 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(CC)CC ZINC000423427082 286542630 /nfs/dbraw/zinc/54/26/30/286542630.db2.gz FRHYUSAJFRMINT-YVSFHVDLSA-N 2 0 294.483 2.948 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+](CCCCCF)CC2)CC1 ZINC000367463652 156334521 /nfs/dbraw/zinc/33/45/21/156334521.db2.gz NENCVWMUWNXTNY-UHFFFAOYSA-N 2 0 299.478 2.618 20 0 CFADRP c1cncc(CC2CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000367479451 156338256 /nfs/dbraw/zinc/33/82/56/156338256.db2.gz VPHVSAUBLDCQAC-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP COc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367472430 156339010 /nfs/dbraw/zinc/33/90/10/156339010.db2.gz LIYLUZHOPBOURU-ZACQAIPSSA-N 2 0 286.419 2.611 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000367552223 156347261 /nfs/dbraw/zinc/34/72/61/156347261.db2.gz MWVKWDWGQOTXEM-KURKYZTESA-N 3 0 295.515 2.958 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000367598828 156357228 /nfs/dbraw/zinc/35/72/28/156357228.db2.gz GNCBHDQATXBRFQ-ULQDDVLXSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000367599613 156357653 /nfs/dbraw/zinc/35/76/53/156357653.db2.gz XCDKJJRDKHZXFE-BBWFWOEESA-N 2 0 281.488 2.568 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)[C@H]2CCC[C@H]21 ZINC000367599236 156357962 /nfs/dbraw/zinc/35/79/62/156357962.db2.gz HCYDUJVVWMZSGO-HYVNUMGLSA-N 2 0 294.389 2.970 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000367619604 156364330 /nfs/dbraw/zinc/36/43/30/156364330.db2.gz XABXWSLXIIQPNC-ZKLCHKPXSA-N 2 0 280.456 2.654 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1C ZINC000367615731 156364842 /nfs/dbraw/zinc/36/48/42/156364842.db2.gz MAWBXFLWBWLNIP-BBWFWOEESA-N 2 0 288.435 2.966 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367625943 156368589 /nfs/dbraw/zinc/36/85/89/156368589.db2.gz ZWNCJFSLLVZMBM-ARFHVFGLSA-N 2 0 292.398 2.797 20 0 CFADRP Cc1cc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)on1 ZINC000367697604 156378969 /nfs/dbraw/zinc/37/89/69/156378969.db2.gz MAGSSGLYVCJGJP-UHFFFAOYSA-N 2 0 291.439 2.912 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](CCC(C)(C)O)CC2)CC1 ZINC000370120150 156653114 /nfs/dbraw/zinc/65/31/14/156653114.db2.gz MHBGUVOCSVKSQJ-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000657182638 413332929 /nfs/dbraw/zinc/33/29/29/413332929.db2.gz FZDOQDXOEWDXCN-CVEARBPZSA-N 2 0 288.435 2.874 20 0 CFADRP Cn1cncc1CCC[N@H+](C)CCc1ccc(F)cc1 ZINC000653505562 413335538 /nfs/dbraw/zinc/33/55/38/413335538.db2.gz VKGJUWTXLKRNSV-UHFFFAOYSA-N 2 0 275.371 2.666 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541966 304858334 /nfs/dbraw/zinc/85/83/34/304858334.db2.gz SNKDYDCURPAECS-INIZCTEOSA-N 2 0 272.392 2.800 20 0 CFADRP CC(C)[NH+]1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000373944720 157048562 /nfs/dbraw/zinc/04/85/62/157048562.db2.gz DTGLYVAMMYRZAE-UHFFFAOYSA-N 2 0 282.391 2.674 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC000374074471 157064725 /nfs/dbraw/zinc/06/47/25/157064725.db2.gz KVCCVSVRYLMGQY-UHFFFAOYSA-N 3 0 293.499 2.670 20 0 CFADRP COCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374068489 157065209 /nfs/dbraw/zinc/06/52/09/157065209.db2.gz WGSNNSWACMGJJL-GOSISDBHSA-N 2 0 288.435 2.621 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](CC1=CCCOC1)CC2)C1CC1 ZINC000374284921 157092628 /nfs/dbraw/zinc/09/26/28/157092628.db2.gz WPOALPTZEPRJRZ-INIZCTEOSA-N 2 0 290.451 2.529 20 0 CFADRP Cn1cccc1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374284513 157092837 /nfs/dbraw/zinc/09/28/37/157092837.db2.gz USZQJWNNVOPKBC-HNNXBMFYSA-N 2 0 287.451 2.721 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)C1CCC1 ZINC000375057576 157189105 /nfs/dbraw/zinc/18/91/05/157189105.db2.gz GDSFKFDAVKXKQI-QRTARXTBSA-N 2 0 290.455 2.581 20 0 CFADRP CC[N@H+](CC(=O)Nc1cccc2c1C[NH+](C1CC1)C2)C1CC1 ZINC000375240807 157211327 /nfs/dbraw/zinc/21/13/27/157211327.db2.gz YFTSXUCOWOEVLW-UHFFFAOYSA-N 2 0 299.418 2.587 20 0 CFADRP C[C@H]1CC[N@H+](CCCCCF)C[C@@H]1n1ccnc1 ZINC000375373283 157235103 /nfs/dbraw/zinc/23/51/03/157235103.db2.gz KZAGLHDSWPDKBB-KBPBESRZSA-N 2 0 253.365 2.906 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CC2(C)COC2)C[N@@H+]1Cc1ccccc1 ZINC000375767787 157283179 /nfs/dbraw/zinc/28/31/79/157283179.db2.gz IWBZJLYXKQLWJG-NVXWUHKLSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000375854490 157297624 /nfs/dbraw/zinc/29/76/24/157297624.db2.gz USOXSHHZZYCXEK-ZNMIVQPWSA-N 2 0 293.480 2.765 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@H]2CCC[C@H]21 ZINC000375895499 157302765 /nfs/dbraw/zinc/30/27/65/157302765.db2.gz NHWNSVUODWLUCJ-NZSAHSFTSA-N 2 0 299.462 2.923 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000376100199 157323080 /nfs/dbraw/zinc/32/30/80/157323080.db2.gz WVTXKMCOMMZAFX-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP CC(C)n1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000376134214 157326277 /nfs/dbraw/zinc/32/62/77/157326277.db2.gz PKVJCAIZRKMBAL-GOOCMWNKSA-N 2 0 276.428 2.569 20 0 CFADRP C[C@H]1C[N@H+](CCC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376204337 157333616 /nfs/dbraw/zinc/33/36/16/157333616.db2.gz ZKNAOOBODVDGCZ-FUHWJXTLSA-N 2 0 293.499 2.525 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000376310222 157343265 /nfs/dbraw/zinc/34/32/65/157343265.db2.gz IRABYBQKZKBEFC-HZPDHXFCSA-N 2 0 294.464 2.606 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000376467650 157358714 /nfs/dbraw/zinc/35/87/14/157358714.db2.gz GQASGRHLQQADNO-BBWFWOEESA-N 2 0 292.467 2.654 20 0 CFADRP CN1CC[C@@H](C[N@H+](C)C2CCC2)[C@@H]1c1cccnc1 ZINC000376474866 157360280 /nfs/dbraw/zinc/36/02/80/157360280.db2.gz YTVAZFFNQOQLGN-HOCLYGCPSA-N 2 0 259.397 2.559 20 0 CFADRP c1cc2c(cc[nH+]c2N[C@@H]2CCN(c3ccccn3)C2)[nH]1 ZINC000663740720 413350833 /nfs/dbraw/zinc/35/08/33/413350833.db2.gz IKQXKDGKULHZHH-GFCCVEGCSA-N 2 0 279.347 2.649 20 0 CFADRP COCCC[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423524667 292382066 /nfs/dbraw/zinc/38/20/66/292382066.db2.gz JSIPUKXHNSAOOY-CNSOWSRNSA-N 2 0 280.456 2.545 20 0 CFADRP CSC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422753506 286681413 /nfs/dbraw/zinc/68/14/13/286681413.db2.gz IMFBIYQRKLAFMZ-DUVNUKRYSA-N 2 0 292.448 2.583 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423435092 298391773 /nfs/dbraw/zinc/39/17/73/298391773.db2.gz ORPSYWUYDGDSSW-KGLIPLIRSA-N 2 0 291.439 2.557 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000657307256 413427882 /nfs/dbraw/zinc/42/78/82/413427882.db2.gz DSRDAEGNPVMJIO-ZWKOTPCHSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CO1 ZINC000657313480 413430130 /nfs/dbraw/zinc/43/01/30/413430130.db2.gz SFMKOQLYUQHUQN-WCXIOVBPSA-N 2 0 282.472 2.902 20 0 CFADRP CCCn1nccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000657311879 413430173 /nfs/dbraw/zinc/43/01/73/413430173.db2.gz YDZWBNPZXLSQJO-MRXNPFEDSA-N 2 0 292.471 2.895 20 0 CFADRP CN(c1[nH+]ccc2[nH]ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000663908141 413434685 /nfs/dbraw/zinc/43/46/85/413434685.db2.gz XLZAPWFRGNYFQP-FUNVUKJBSA-N 2 0 270.380 2.624 20 0 CFADRP CO[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)Cc1ccccc1 ZINC000651384606 413433905 /nfs/dbraw/zinc/43/39/05/413433905.db2.gz UBUAKYKSTVIOFJ-ABHNRTSZSA-N 2 0 290.451 2.707 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@@H]1CCOC1 ZINC000131218610 286901679 /nfs/dbraw/zinc/90/16/79/286901679.db2.gz MQGINPAGXSXGNP-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CO1 ZINC000657314167 413437241 /nfs/dbraw/zinc/43/72/41/413437241.db2.gz WURMJZWZOLOFFE-YHUYYLMFSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@@H](NCc2csc(C3CC3)n2)CC[N@@H+]1C ZINC000344677014 162095023 /nfs/dbraw/zinc/09/50/23/162095023.db2.gz KEVGIIHKZVZWMV-JQWIXIFHSA-N 2 0 265.426 2.593 20 0 CFADRP CCN1C[C@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000344710580 162104599 /nfs/dbraw/zinc/10/45/99/162104599.db2.gz FYVCQCSHVXAFJY-ZENOOKHLSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1 ZINC000424345019 286926167 /nfs/dbraw/zinc/92/61/67/286926167.db2.gz DMRQAYSNGVCUOF-LLVKDONJSA-N 2 0 286.379 2.874 20 0 CFADRP COc1ccc(CCC[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657324155 413445103 /nfs/dbraw/zinc/44/51/03/413445103.db2.gz VUFFUPDTXRBADQ-UHFFFAOYSA-N 2 0 285.391 2.560 20 0 CFADRP COc1c(C)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1C ZINC000347086085 162597343 /nfs/dbraw/zinc/59/73/43/162597343.db2.gz BNXCAATVMLSRGW-CQSZACIVSA-N 2 0 276.424 2.871 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347394594 162676925 /nfs/dbraw/zinc/67/69/25/162676925.db2.gz PSKWFLZYGDTUOM-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H](C[NH+](C)C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000348296984 298508097 /nfs/dbraw/zinc/50/80/97/298508097.db2.gz YXLICGUKQLWHDW-ZMSDIMECSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000349660076 163000921 /nfs/dbraw/zinc/00/09/21/163000921.db2.gz AWTAMAVXMSPMSU-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP COC1CC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000349684509 163003372 /nfs/dbraw/zinc/00/33/72/163003372.db2.gz KNGVBGNWSDXESH-VFPGXZCRSA-N 2 0 288.435 2.807 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cccs1 ZINC000349694359 163004124 /nfs/dbraw/zinc/00/41/24/163004124.db2.gz PONOWRSLCXOPFI-CYBMUJFWSA-N 2 0 270.442 2.757 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000350213661 163066482 /nfs/dbraw/zinc/06/64/82/163066482.db2.gz ADVWRYHMEPYHKT-UHFFFAOYSA-N 2 0 299.418 2.714 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000351232969 163121463 /nfs/dbraw/zinc/12/14/63/163121463.db2.gz YEJBZMYQBSIGFF-GJZGRUSLSA-N 2 0 270.486 2.934 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000351232968 163122975 /nfs/dbraw/zinc/12/29/75/163122975.db2.gz YEJBZMYQBSIGFF-CABCVRRESA-N 2 0 270.486 2.934 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351332447 163126762 /nfs/dbraw/zinc/12/67/62/163126762.db2.gz SOBGSLGODOQOFO-ROUUACIJSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351475498 163130562 /nfs/dbraw/zinc/13/05/62/163130562.db2.gz IMOBWRUFTAZQSU-CWRNSKLLSA-N 2 0 274.408 2.643 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCOc3cccc(Cl)c3)C[C@H]12 ZINC000351475220 163131184 /nfs/dbraw/zinc/13/11/84/163131184.db2.gz HZEMVCOOXYHVHS-UHOFOFEASA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3c(F)cccc3Cl)C[C@H]12 ZINC000351479874 163131488 /nfs/dbraw/zinc/13/14/88/163131488.db2.gz SPOADTMSJFBFDC-IFUGULHKSA-N 2 0 282.790 2.691 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351609217 163157471 /nfs/dbraw/zinc/15/74/71/163157471.db2.gz QQHQTKAXCKCXLL-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000351853960 163203046 /nfs/dbraw/zinc/20/30/46/163203046.db2.gz PYCVAANMUFHJPT-QWHCGFSZSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000351857159 163205020 /nfs/dbraw/zinc/20/50/20/163205020.db2.gz WTIZLZCDUOUIQY-GOEBONIOSA-N 2 0 284.403 2.888 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@H](C)C2)CC1 ZINC000352693441 163224142 /nfs/dbraw/zinc/22/41/42/163224142.db2.gz LEJCAQHNZPKGNQ-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000352842098 163249427 /nfs/dbraw/zinc/24/94/27/163249427.db2.gz AMRYTZURQYHKNE-CGTJXYLNSA-N 2 0 294.483 2.805 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cn1 ZINC000352901711 163265892 /nfs/dbraw/zinc/26/58/92/163265892.db2.gz QGSKIBATEKAWHU-WWGRRREGSA-N 2 0 276.428 2.597 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCC[NH+](C)C ZINC000353273893 163334776 /nfs/dbraw/zinc/33/47/76/163334776.db2.gz QVKXWCOFGHGVPH-MRXNPFEDSA-N 2 0 276.424 2.959 20 0 CFADRP COc1ccc(OC)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353436165 163364625 /nfs/dbraw/zinc/36/46/25/163364625.db2.gz NZQLYBRAJLWONH-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353498624 163377893 /nfs/dbraw/zinc/37/78/93/163377893.db2.gz ARFDFTQCWVRMLY-KZNAEPCWSA-N 2 0 287.451 2.715 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353498621 163379169 /nfs/dbraw/zinc/37/91/69/163379169.db2.gz ARFDFTQCWVRMLY-KSZLIROESA-N 2 0 287.451 2.715 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCC(C)CC1 ZINC000353500774 163380024 /nfs/dbraw/zinc/38/00/24/163380024.db2.gz XPUDZJAGZCWGQJ-TVFCKZIOSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C ZINC000353523724 163383897 /nfs/dbraw/zinc/38/38/97/163383897.db2.gz YMLQFMBPDUCDFR-UHFFFAOYSA-N 2 0 290.451 2.846 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CO1 ZINC000657332123 413460155 /nfs/dbraw/zinc/46/01/55/413460155.db2.gz XEBOGUZPDVREID-CHWSQXEVSA-N 2 0 273.380 2.653 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CO1 ZINC000657335254 413462266 /nfs/dbraw/zinc/46/22/66/413462266.db2.gz AWSUNKKEXSXKMN-DLBZAZTESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCOC1 ZINC000356859287 287012625 /nfs/dbraw/zinc/01/26/25/287012625.db2.gz XSRZSNPEKAIDOQ-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000347011371 287013457 /nfs/dbraw/zinc/01/34/57/287013457.db2.gz JSNQWYOPUIWKRR-LSDHHAIUSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000651421496 413463905 /nfs/dbraw/zinc/46/39/05/413463905.db2.gz YSBZOSLVPYOONW-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000422699239 287020120 /nfs/dbraw/zinc/02/01/20/287020120.db2.gz CSUVBEGMLUDYOI-LLVKDONJSA-N 2 0 264.800 2.569 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCOC1 ZINC000123011100 287041027 /nfs/dbraw/zinc/04/10/27/287041027.db2.gz ZLKYKTISWSCBIW-QAPCUYQASA-N 2 0 288.435 2.797 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCSC1)C[NH+]1CCCCC1 ZINC000061588847 289698783 /nfs/dbraw/zinc/69/87/83/289698783.db2.gz SICOCDAPLKYVNR-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253184442 287151650 /nfs/dbraw/zinc/15/16/50/287151650.db2.gz HITCLMRVPBUOEP-FRRDWIJNSA-N 2 0 250.361 2.803 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC000660653721 413473136 /nfs/dbraw/zinc/47/31/36/413473136.db2.gz VIHVFRASGMCKQP-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000422798314 298792192 /nfs/dbraw/zinc/79/21/92/298792192.db2.gz QPCMJQLABNCJPL-HFAKWTLXSA-N 2 0 268.351 2.785 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1Cl ZINC000284372765 196041869 /nfs/dbraw/zinc/04/18/69/196041869.db2.gz OJPVIDIENPAQKK-LLVKDONJSA-N 2 0 285.819 2.736 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000284376961 196042863 /nfs/dbraw/zinc/04/28/63/196042863.db2.gz OOAOXBPSZZRVTR-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000657347521 413476521 /nfs/dbraw/zinc/47/65/21/413476521.db2.gz AJSQSSBJKBAUAM-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCOCc1ccccc1)C2 ZINC000660665743 413485001 /nfs/dbraw/zinc/48/50/01/413485001.db2.gz XPPXKBRECSIYAA-SFHVURJKSA-N 2 0 288.435 2.621 20 0 CFADRP CCC(CC)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657354383 413486104 /nfs/dbraw/zinc/48/61/04/413486104.db2.gz PXIKRIUQZFUHNG-UHFFFAOYSA-N 2 0 258.369 2.793 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657353908 413486707 /nfs/dbraw/zinc/48/67/07/413486707.db2.gz KZUDYYBGBXRHIM-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP OC1(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CCC1 ZINC000660680933 413495241 /nfs/dbraw/zinc/49/52/41/413495241.db2.gz XZWFGYAEQQKKHU-UHFFFAOYSA-N 2 0 288.435 2.546 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CO1 ZINC000657358783 413496553 /nfs/dbraw/zinc/49/65/53/413496553.db2.gz MKNURSZWEYNLTI-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCC[C@H](C)C2)CC1 ZINC000660697001 413503317 /nfs/dbraw/zinc/50/33/17/413503317.db2.gz RZPUUNBQGOYUNA-IRXDYDNUSA-N 2 0 296.499 2.885 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657375857 413523258 /nfs/dbraw/zinc/52/32/58/413523258.db2.gz DYPKLASKGVWCFK-UHFFFAOYSA-N 2 0 290.455 2.505 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651677459 413560437 /nfs/dbraw/zinc/56/04/37/413560437.db2.gz JIQFDCVGTWEZDP-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651676516 413560920 /nfs/dbraw/zinc/56/09/20/413560920.db2.gz CNALXBXZIIEBNK-MSOLQXFVSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651675232 413559476 /nfs/dbraw/zinc/55/94/76/413559476.db2.gz MXFRIWZNDYNSRQ-SJORKVTESA-N 2 0 281.488 2.571 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651676546 413559814 /nfs/dbraw/zinc/55/98/14/413559814.db2.gz DMOSDLUCSYKMHV-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705794 413581149 /nfs/dbraw/zinc/58/11/49/413581149.db2.gz GOKBIXPHXNOUCZ-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651706267 413582159 /nfs/dbraw/zinc/58/21/59/413582159.db2.gz ZHLYZQCQSBKLBV-UHFFFAOYSA-N 2 0 258.409 2.607 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651705724 413582720 /nfs/dbraw/zinc/58/27/20/413582720.db2.gz DDEQRDLFRHBSDJ-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP Cc1[nH+]ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1Cl ZINC000664143356 413596918 /nfs/dbraw/zinc/59/69/18/413596918.db2.gz WKYDWCOCJJQYDL-LLVKDONJSA-N 2 0 267.804 2.750 20 0 CFADRP FC1(F)CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657453570 413626027 /nfs/dbraw/zinc/62/60/27/413626027.db2.gz ALIHIGXYZKPKOO-LBPRGKRZSA-N 2 0 292.333 2.792 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2ccccc2o1 ZINC000664197294 413630047 /nfs/dbraw/zinc/63/00/47/413630047.db2.gz VCIDCPLUGHQJHH-ZDUSSCGKSA-N 2 0 290.411 2.512 20 0 CFADRP C[C@H]1CC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657458089 413631654 /nfs/dbraw/zinc/63/16/54/413631654.db2.gz XHBLAXGJMQZNQG-KBPBESRZSA-N 2 0 270.380 2.793 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCCCC1(C)C)CCO2 ZINC000660907433 413650100 /nfs/dbraw/zinc/65/01/00/413650100.db2.gz YMRMVRJLKLQVTL-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP CC(C)c1cnc(NCCN(C)CCC[NH+](C)C)s1 ZINC000664247813 413653688 /nfs/dbraw/zinc/65/36/88/413653688.db2.gz ISWNOUQRMKHCQW-UHFFFAOYSA-N 2 0 284.473 2.562 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4c3CCC4)C2)C1 ZINC000651816218 413658443 /nfs/dbraw/zinc/65/84/43/413658443.db2.gz JEFPJYCMIJLORG-SFHVURJKSA-N 2 0 270.420 2.703 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660924708 413664365 /nfs/dbraw/zinc/66/43/65/413664365.db2.gz PVTGWUBZSHUCQF-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP CN1CC[C@H]2CC[N@H+](Cc3cccc4c3CCC4)[C@H]2C1 ZINC000651756321 413617402 /nfs/dbraw/zinc/61/74/02/413617402.db2.gz RXXTTZATMBUQRW-YJBOKZPZSA-N 2 0 270.420 2.701 20 0 CFADRP CN1CC[C@H]2CC[N@H+](Cc3cccc4c3CCC4)[C@@H]2C1 ZINC000651756319 413620056 /nfs/dbraw/zinc/62/00/56/413620056.db2.gz RXXTTZATMBUQRW-MAUKXSAKSA-N 2 0 270.420 2.701 20 0 CFADRP CO[C@@H](C)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857256 413620525 /nfs/dbraw/zinc/62/05/25/413620525.db2.gz JETGQQLPWHYDSZ-ZDUSSCGKSA-N 2 0 287.407 2.852 20 0 CFADRP Cc1ccc(CCC[NH2+]CCC[N@@H+](C)CC(C)C)cn1 ZINC000651865967 413687951 /nfs/dbraw/zinc/68/79/51/413687951.db2.gz ORWWIPFZTIISCD-UHFFFAOYSA-N 2 0 277.456 2.890 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)CCO1 ZINC000651865191 413688192 /nfs/dbraw/zinc/68/81/92/413688192.db2.gz PVBVKQMLCYYHSB-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP COCc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000657522313 413706008 /nfs/dbraw/zinc/70/60/08/413706008.db2.gz ASTOBJDJAYLWQR-INIZCTEOSA-N 2 0 276.424 2.795 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000651928866 413718033 /nfs/dbraw/zinc/71/80/33/413718033.db2.gz WYFFEONXKDJHPW-KRWDZBQOSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@@H](C)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285484459 196299730 /nfs/dbraw/zinc/29/97/30/196299730.db2.gz IJPNHOXPGOFKEJ-FUHWJXTLSA-N 2 0 288.435 2.619 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000657574554 413762408 /nfs/dbraw/zinc/76/24/08/413762408.db2.gz ZIOUPPGZAWSZEI-KRWDZBQOSA-N 2 0 291.483 2.665 20 0 CFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3)cc2)C1 ZINC000657592750 413778516 /nfs/dbraw/zinc/77/85/16/413778516.db2.gz BIRLTFFGKAHORS-IBGZPJMESA-N 2 0 296.414 2.543 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657595783 413780752 /nfs/dbraw/zinc/78/07/52/413780752.db2.gz SDMALRFJXMBTEU-OLMNPRSZSA-N 2 0 288.435 2.531 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccoc2)cc1 ZINC000657652483 413820854 /nfs/dbraw/zinc/82/08/54/413820854.db2.gz NMDAZCHWVATNIC-UHFFFAOYSA-N 2 0 288.391 2.552 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000657662158 413832961 /nfs/dbraw/zinc/83/29/61/413832961.db2.gz UQUVVVQANDDSIK-SJORKVTESA-N 2 0 297.446 2.937 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222472 413836363 /nfs/dbraw/zinc/83/63/63/413836363.db2.gz PFLZUGNQKJFDIN-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(O)CC2)c1 ZINC000285528979 196315824 /nfs/dbraw/zinc/31/58/24/196315824.db2.gz BNLDZICEJANXQN-UHFFFAOYSA-N 2 0 276.424 2.531 20 0 CFADRP C1C[C@@H]2C[C@@H](N[C@H]3CC[NH+](C4CCCCC4)C3)CC[N@@H+]2C1 ZINC000657677678 413849555 /nfs/dbraw/zinc/84/95/55/413849555.db2.gz GJOIDAJHASZHEX-XYJFISCASA-N 2 0 291.483 2.610 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000657782575 413926551 /nfs/dbraw/zinc/92/65/51/413926551.db2.gz NZZKFJHSEULDPH-BRWVUGGUSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000652337215 413894630 /nfs/dbraw/zinc/89/46/30/413894630.db2.gz UWQBNXSLCQIWOR-IBGZPJMESA-N 2 0 298.430 2.756 20 0 CFADRP CCc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc[nH+]1 ZINC000664677253 413895784 /nfs/dbraw/zinc/89/57/84/413895784.db2.gz GKGARRUPCRRZRC-OAHLLOKOSA-N 2 0 273.424 2.600 20 0 CFADRP c1cc2nccc(NC[C@@H]3CCC[N@H+](CC4CC4)C3)c2cn1 ZINC000664679576 413898447 /nfs/dbraw/zinc/89/84/47/413898447.db2.gz UJXXMJYPTWIEQP-HNNXBMFYSA-N 2 0 296.418 2.586 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H]1C ZINC000657815272 413960270 /nfs/dbraw/zinc/96/02/70/413960270.db2.gz OGPQJUHXOWKDDP-IOASZLSFSA-N 2 0 250.430 2.743 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC000657813888 413961891 /nfs/dbraw/zinc/96/18/91/413961891.db2.gz DDBBSAFROHCZKO-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813706 413963124 /nfs/dbraw/zinc/96/31/24/413963124.db2.gz YGTLBOVJHQWGDX-CQSZACIVSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+](CCCN[C@H]1CCCn2nccc21)Cc1ccccc1 ZINC000657824010 413975222 /nfs/dbraw/zinc/97/52/22/413975222.db2.gz NQAVMWKJNMBWSY-KRWDZBQOSA-N 2 0 298.434 2.830 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1COC2(CCC2)C1)Cc1ccccc1 ZINC000657823657 413975397 /nfs/dbraw/zinc/97/53/97/413975397.db2.gz JNGXZOSLXPMCEJ-KRWDZBQOSA-N 2 0 288.435 2.810 20 0 CFADRP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423405085 287273841 /nfs/dbraw/zinc/27/38/41/287273841.db2.gz JBOZHENYMCOEKF-ARFHVFGLSA-N 2 0 282.472 2.807 20 0 CFADRP COC1([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)CCC1 ZINC000657829315 413983899 /nfs/dbraw/zinc/98/38/99/413983899.db2.gz YFDLMBYTNVGODA-AWEZNQCLSA-N 2 0 276.424 2.795 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C(F)F ZINC000657840882 413990487 /nfs/dbraw/zinc/99/04/87/413990487.db2.gz XODIQTFSRMZXBA-SRVKXCTJSA-N 2 0 260.372 2.883 20 0 CFADRP CN(CC[NH2+]C1CC(CF)(CF)C1)Cc1ccccc1 ZINC000657846266 413994792 /nfs/dbraw/zinc/99/47/92/413994792.db2.gz TVXDSNAZYBLDOA-UHFFFAOYSA-N 2 0 282.378 2.796 20 0 CFADRP CN(CC[NH2+][C@H]1CCCSCC1)Cc1ccccc1 ZINC000657846243 413997100 /nfs/dbraw/zinc/99/71/00/413997100.db2.gz SVUNSDCSBHKULX-INIZCTEOSA-N 2 0 278.465 2.994 20 0 CFADRP COc1ccc(CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285624842 196347915 /nfs/dbraw/zinc/34/79/15/196347915.db2.gz WRBFZCLTHDSFMH-SJPCQFCGSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)C[NH+]1CCCC1 ZINC000657847175 413999322 /nfs/dbraw/zinc/99/93/22/413999322.db2.gz VIZOKNHCDPPVNG-VXGBXAGGSA-N 2 0 262.388 2.988 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000657874016 414020834 /nfs/dbraw/zinc/02/08/34/414020834.db2.gz XOWHHVZHMQJUGS-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000037229574 173049792 /nfs/dbraw/zinc/04/97/92/173049792.db2.gz CCYSOOBEOLUSNE-UHFFFAOYSA-N 2 0 288.395 2.554 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000037229580 173050426 /nfs/dbraw/zinc/05/04/26/173050426.db2.gz HJAPRDJEXZZZGG-CQSZACIVSA-N 2 0 274.408 2.758 20 0 CFADRP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408218 173185006 /nfs/dbraw/zinc/18/50/06/173185006.db2.gz REANYFWQSQCLFT-ZDUSSCGKSA-N 2 0 264.800 2.914 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657971737 414077897 /nfs/dbraw/zinc/07/78/97/414077897.db2.gz NFHHKXHHAGNZHV-LLVKDONJSA-N 2 0 262.388 2.988 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657970617 414080570 /nfs/dbraw/zinc/08/05/70/414080570.db2.gz DQEMSOYAFDHIPT-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068508 414153173 /nfs/dbraw/zinc/15/31/73/414153173.db2.gz FOBZOJCTFAVGKD-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C([NH2+][C@@H]1CCCC12CC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000658070395 414153272 /nfs/dbraw/zinc/15/32/72/414153272.db2.gz OOOHBBVZIVVIFV-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069733 414154753 /nfs/dbraw/zinc/15/47/53/414154753.db2.gz QVAJBQMOANRVSG-HUUCEWRRSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@H]1C ZINC000658070804 414155005 /nfs/dbraw/zinc/15/50/05/414155005.db2.gz RBXHVFPZUQRVMA-JKIFEVAISA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCOCC[NH+](C)C ZINC000657985827 414089779 /nfs/dbraw/zinc/08/97/79/414089779.db2.gz ANKITAHOJHYRHC-INIZCTEOSA-N 2 0 298.858 2.829 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)co1 ZINC000665263872 414220706 /nfs/dbraw/zinc/22/07/06/414220706.db2.gz WWWVQLVGKMJNND-HRCADAONSA-N 2 0 262.397 2.723 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)CC[N@@H+]1C ZINC000658127556 414222324 /nfs/dbraw/zinc/22/23/24/414222324.db2.gz NFNRYMNAHMSJFT-GOEBONIOSA-N 2 0 283.419 2.850 20 0 CFADRP CC[C@H]([NH2+]CCc1cn(C)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665264728 414222759 /nfs/dbraw/zinc/22/27/59/414222759.db2.gz GZPDDQSDZRYQBG-IRXDYDNUSA-N 2 0 285.435 2.841 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000665267455 414224620 /nfs/dbraw/zinc/22/46/20/414224620.db2.gz WZQPBQRYLQDORU-UXLLHSPISA-N 2 0 279.472 2.514 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1(F)F ZINC000665266951 414226134 /nfs/dbraw/zinc/22/61/34/414226134.db2.gz MIXBJQMZWMIZLB-FDYHWXHSSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH+]ccc1N ZINC000665267300 414227141 /nfs/dbraw/zinc/22/71/41/414227141.db2.gz UFXCOKPNXRLAQL-KGLIPLIRSA-N 2 0 288.439 2.552 20 0 CFADRP C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH+]ccc1N ZINC000665267302 414227707 /nfs/dbraw/zinc/22/77/07/414227707.db2.gz UFXCOKPNXRLAQL-ZIAGYGMSSA-N 2 0 288.439 2.552 20 0 CFADRP CCC[C@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658134532 414228914 /nfs/dbraw/zinc/22/89/14/414228914.db2.gz BCQCHVVVAUTRFC-ZWKOTPCHSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665272859 414231178 /nfs/dbraw/zinc/23/11/78/414231178.db2.gz MLZVNBIEQCHNMM-WBAXXEDZSA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC(F)CC1 ZINC000665274337 414232471 /nfs/dbraw/zinc/23/24/71/414232471.db2.gz OFVRMKAHQZLIJM-MSMPKRCDSA-N 2 0 254.393 2.776 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658145263 414233258 /nfs/dbraw/zinc/23/32/58/414233258.db2.gz QXBSKTOAXQUEGD-MPGHIAIKSA-N 2 0 290.451 2.777 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2nsc3ccccc32)C1 ZINC000665276123 414234913 /nfs/dbraw/zinc/23/49/13/414234913.db2.gz YVWLLIZJZVVTKG-NEPJUHHUSA-N 2 0 275.421 2.698 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)C3CCC3)CC2)C1 ZINC000658088237 414180363 /nfs/dbraw/zinc/18/03/63/414180363.db2.gz PYWXMZUYNPSDOQ-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP COC1CC(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000665230195 414189364 /nfs/dbraw/zinc/18/93/64/414189364.db2.gz LBYFFGLJVGQKMQ-TUHYSUIHSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665234795 414191177 /nfs/dbraw/zinc/19/11/77/414191177.db2.gz KEFLQHMQGWOIET-BFHYXJOUSA-N 2 0 295.858 2.882 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234572 414192224 /nfs/dbraw/zinc/19/22/24/414192224.db2.gz GFKZFFDBPSBKGT-NWANDNLSSA-N 2 0 293.842 2.636 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658096821 414192854 /nfs/dbraw/zinc/19/28/54/414192854.db2.gz ZWPKPPYMNHVRCI-NXHRZFHOSA-N 2 0 288.435 2.666 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665236768 414194639 /nfs/dbraw/zinc/19/46/39/414194639.db2.gz TYTXGZQKWHIBFH-DOMZBBRYSA-N 2 0 291.439 2.705 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccnc3ccccc23)C1 ZINC000665239271 414196124 /nfs/dbraw/zinc/19/61/24/414196124.db2.gz PTDLVYIDMLYRCV-CABCVRRESA-N 2 0 269.392 2.637 20 0 CFADRP Cc1ccncc1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665239363 414198221 /nfs/dbraw/zinc/19/82/21/414198221.db2.gz RYBBQSMMERHDDJ-NVXWUHKLSA-N 2 0 275.440 2.833 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244441 414199934 /nfs/dbraw/zinc/19/99/34/414199934.db2.gz NFWAONRAXDWQNV-IUODEOHRSA-N 2 0 292.398 2.974 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)c1 ZINC000665246726 414206578 /nfs/dbraw/zinc/20/65/78/414206578.db2.gz MMPBFXOGFMJVEZ-CYBMUJFWSA-N 2 0 262.397 2.926 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)C12CCCCC2 ZINC000665247394 414207174 /nfs/dbraw/zinc/20/71/74/414207174.db2.gz ANYRZARCWWDVEJ-LSDHHAIUSA-N 2 0 280.456 2.975 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000658110302 414211010 /nfs/dbraw/zinc/21/10/10/414211010.db2.gz XHVQTQHDBBMNPC-FUHWJXTLSA-N 2 0 291.483 2.999 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000665280761 414243520 /nfs/dbraw/zinc/24/35/20/414243520.db2.gz KIWVGUCDCOLIAZ-HUUCEWRRSA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000665281001 414243648 /nfs/dbraw/zinc/24/36/48/414243648.db2.gz RJXPXLSUYQWZIN-HUUCEWRRSA-N 2 0 250.361 2.776 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000665283075 414246546 /nfs/dbraw/zinc/24/65/46/414246546.db2.gz HGXTXHZJIKRFPP-HRCADAONSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281962 414248419 /nfs/dbraw/zinc/24/84/19/414248419.db2.gz NJCUKNNXAIVTAD-MCIONIFRSA-N 2 0 256.434 2.542 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000665281860 414249284 /nfs/dbraw/zinc/24/92/84/414249284.db2.gz MCIIWQREBLRXRE-ZWNOBZJWSA-N 2 0 285.819 2.768 20 0 CFADRP COc1cccc(C2([NH2+][C@@H](C)C[C@@H](C)[NH3+])CCC2)c1 ZINC000665283350 414249804 /nfs/dbraw/zinc/24/98/04/414249804.db2.gz MIVAZQXAGOEOKR-OLZOCXBDSA-N 2 0 262.397 2.790 20 0 CFADRP c1coc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665283583 414252741 /nfs/dbraw/zinc/25/27/41/414252741.db2.gz QEGIWLRBXHMQJE-OAGGEKHMSA-N 2 0 262.397 2.723 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1C ZINC000665294343 414265824 /nfs/dbraw/zinc/26/58/24/414265824.db2.gz MTWXNPLJOVBFSC-LBPRGKRZSA-N 2 0 250.386 2.611 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665300139 414271011 /nfs/dbraw/zinc/27/10/11/414271011.db2.gz YWMDNKSLARFGLB-MFKMUULPSA-N 2 0 287.329 2.708 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299014 414273023 /nfs/dbraw/zinc/27/30/23/414273023.db2.gz DYKKFFZCICOPQC-SNVBAGLBSA-N 2 0 275.318 2.708 20 0 CFADRP CNC[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000665298518 414273597 /nfs/dbraw/zinc/27/35/97/414273597.db2.gz XHNFHBRKLKLRSB-ZLPCBKJTSA-N 2 0 289.467 2.627 20 0 CFADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000665298202 414273833 /nfs/dbraw/zinc/27/38/33/414273833.db2.gz TYMLOOHPHARTRP-SOUVJXGZSA-N 2 0 261.413 2.614 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665300140 414273882 /nfs/dbraw/zinc/27/38/82/414273882.db2.gz YWMDNKSLARFGLB-ZWNOBZJWSA-N 2 0 287.329 2.708 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000658209909 414285626 /nfs/dbraw/zinc/28/56/26/414285626.db2.gz KNIARRNFWCBCMT-OAGGEKHMSA-N 2 0 294.464 2.857 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000658218193 414291470 /nfs/dbraw/zinc/29/14/70/414291470.db2.gz IROHSSDTAGETOZ-ZDUSSCGKSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)C1CC[NH+](C)CC1 ZINC000658238546 414309310 /nfs/dbraw/zinc/30/93/10/414309310.db2.gz JXEPNQVCHZPJPA-SJKOYZFVSA-N 2 0 274.408 2.699 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)C1CC[NH+](C)CC1 ZINC000658238543 414310388 /nfs/dbraw/zinc/31/03/88/414310388.db2.gz JXEPNQVCHZPJPA-PXAZEXFGSA-N 2 0 274.408 2.699 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277999 414240025 /nfs/dbraw/zinc/24/00/25/414240025.db2.gz RYNNJRKBQPZDMX-ARWYELJZSA-N 2 0 276.399 2.734 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)CS1 ZINC000655682952 414359611 /nfs/dbraw/zinc/35/96/11/414359611.db2.gz OBVRYXWHKNBKAD-KGLIPLIRSA-N 2 0 256.459 2.736 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2nsc3ccccc32)CC1 ZINC000658316221 414370483 /nfs/dbraw/zinc/37/04/83/414370483.db2.gz CYJYYMXFVYESKT-UHFFFAOYSA-N 2 0 289.448 2.913 20 0 CFADRP c1coc(CCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000658326733 414376517 /nfs/dbraw/zinc/37/65/17/414376517.db2.gz JIYKVVBPUIDWEH-UHFFFAOYSA-N 2 0 262.397 2.676 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@@H]2CCC[C@@H]21 ZINC000658324710 414376537 /nfs/dbraw/zinc/37/65/37/414376537.db2.gz CGWIDAJHUUFLKE-JYJNAYRXSA-N 2 0 262.397 2.675 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)CS1 ZINC000655759690 414414626 /nfs/dbraw/zinc/41/46/26/414414626.db2.gz FPZWDAFBLGQQHR-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662158371 414438136 /nfs/dbraw/zinc/43/81/36/414438136.db2.gz SGIJVSVEEDZTCD-MSOLQXFVSA-N 2 0 288.435 2.669 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CC1CCC1 ZINC000662158759 414438418 /nfs/dbraw/zinc/43/84/18/414438418.db2.gz WUMZLYPXABBQBO-IRXDYDNUSA-N 2 0 282.472 2.732 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000655804089 414448763 /nfs/dbraw/zinc/44/87/63/414448763.db2.gz OTMIHAFMLWFIHP-HACGYAERSA-N 2 0 274.408 2.699 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803782 414448830 /nfs/dbraw/zinc/44/88/30/414448830.db2.gz DNQQCILMJIGWLN-DIECFANBSA-N 2 0 276.424 2.692 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000655805989 414450791 /nfs/dbraw/zinc/45/07/91/414450791.db2.gz OSYKSTHVNQKPBW-LXZKKBNFSA-N 2 0 258.409 2.912 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000655805958 414451100 /nfs/dbraw/zinc/45/11/00/414451100.db2.gz VEILPNZOSZERDE-LXZKKBNFSA-N 2 0 290.476 2.947 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000655805366 414451137 /nfs/dbraw/zinc/45/11/37/414451137.db2.gz MTWZCHPJIKJCFV-JQHSSLGASA-N 2 0 272.436 2.938 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806149 414451772 /nfs/dbraw/zinc/45/17/72/414451772.db2.gz ZXZKTBGFGCVXOW-LBEHMCEESA-N 2 0 258.409 2.850 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655807723 414451797 /nfs/dbraw/zinc/45/17/97/414451797.db2.gz SOZQLOZXQCTMKU-YESZJQIVSA-N 2 0 260.425 2.938 20 0 CFADRP CO[C@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)C1CCCC1 ZINC000662245736 414473773 /nfs/dbraw/zinc/47/37/73/414473773.db2.gz OFQUXHZYUNHBOH-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)C1 ZINC000655824474 414462656 /nfs/dbraw/zinc/46/26/56/414462656.db2.gz KAKUPFDFZNXVIB-GSJFWJNXSA-N 2 0 293.798 2.911 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827607 414464478 /nfs/dbraw/zinc/46/44/78/414464478.db2.gz UWMHKNDFXPIIMW-AKAXFMLLSA-N 2 0 299.418 2.673 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000655827004 414464646 /nfs/dbraw/zinc/46/46/46/414464646.db2.gz MHADJONKCIJNGG-AKAXFMLLSA-N 2 0 284.407 2.507 20 0 CFADRP CC[C@H](CC(F)F)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662233370 414467123 /nfs/dbraw/zinc/46/71/23/414467123.db2.gz DTEJURKIVKNGSL-LLVKDONJSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@H+](CCc1nsc2ccccc21)C1CC[NH2+]CC1 ZINC000662236555 414468219 /nfs/dbraw/zinc/46/82/19/414468219.db2.gz FHVVRNZAUQUSSE-UHFFFAOYSA-N 2 0 275.421 2.523 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352039 414398763 /nfs/dbraw/zinc/39/87/63/414398763.db2.gz BZRBZEJIXZHUEN-OAHLLOKOSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000658352402 414398929 /nfs/dbraw/zinc/39/89/29/414398929.db2.gz GBDZDOZLHUKBAU-XJKCOSOUSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658355165 414399698 /nfs/dbraw/zinc/39/96/98/414399698.db2.gz HXJBKUIOHVJQIA-AWEZNQCLSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cscn1 ZINC000658357891 414403121 /nfs/dbraw/zinc/40/31/21/414403121.db2.gz WADGOWJFHVUOGP-LBPRGKRZSA-N 2 0 279.453 2.916 20 0 CFADRP C[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1[NH3+] ZINC000662242513 414472229 /nfs/dbraw/zinc/47/22/29/414472229.db2.gz ALIXXZYGBSSWMI-YPMHNXCESA-N 2 0 275.421 2.508 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250849 414475483 /nfs/dbraw/zinc/47/54/83/414475483.db2.gz PPVFGHZWSJAPBF-HNNXBMFYSA-N 2 0 294.826 2.683 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccncc1 ZINC000655849003 414476707 /nfs/dbraw/zinc/47/67/07/414476707.db2.gz ODUZXXOSZMCSTN-NUEKZKHPSA-N 2 0 259.397 2.749 20 0 CFADRP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250762 414477225 /nfs/dbraw/zinc/47/72/25/414477225.db2.gz NNMIUJMXBRITQU-OLZOCXBDSA-N 2 0 294.826 2.854 20 0 CFADRP C[N@H+](CCC1CCOCC1)Cc1cccc2c1CC[NH2+]C2 ZINC000662255279 414479568 /nfs/dbraw/zinc/47/95/68/414479568.db2.gz CSTXWXGWODBDIR-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP CCC[N@H+](C[C@@H](OC)C1CCCC1)C1CC[NH2+]CC1 ZINC000662264982 414481143 /nfs/dbraw/zinc/48/11/43/414481143.db2.gz SVVWGQZCLZWIAP-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1F ZINC000662263342 414482739 /nfs/dbraw/zinc/48/27/39/414482739.db2.gz ACFUODATLXRBKP-MNOVXSKESA-N 2 0 286.391 2.726 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662273045 414489105 /nfs/dbraw/zinc/48/91/05/414489105.db2.gz KFRVGTOGQJVBCA-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662271899 414489560 /nfs/dbraw/zinc/48/95/60/414489560.db2.gz BBVVTVXQZJJARY-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CCN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274995 414490669 /nfs/dbraw/zinc/49/06/69/414490669.db2.gz OTFWTEABALFKNH-SOLBZPMBSA-N 2 0 270.420 2.790 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000662274252 414490799 /nfs/dbraw/zinc/49/07/99/414490799.db2.gz GXJNNHGLARWLED-KZNAEPCWSA-N 2 0 288.435 2.696 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCC2CCC2)CC1 ZINC000662280951 414493071 /nfs/dbraw/zinc/49/30/71/414493071.db2.gz IRGIOPWYNRFOFT-DLBZAZTESA-N 2 0 280.456 2.785 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CCc2noc3ccccc32)C[C@H]1C[NH3+] ZINC000655939952 414494808 /nfs/dbraw/zinc/49/48/08/414494808.db2.gz NDFCELAGFGUPAA-HZSPNIEDSA-N 2 0 287.407 2.676 20 0 CFADRP COc1ccc(C(C)C)cc1CN1CCC[C@@H]1C[NH3+] ZINC000655938041 414495045 /nfs/dbraw/zinc/49/50/45/414495045.db2.gz JYYWHOKAIOJUMI-OAHLLOKOSA-N 2 0 262.397 2.742 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)C1 ZINC000662281825 414495168 /nfs/dbraw/zinc/49/51/68/414495168.db2.gz PPYRYPYFTVEWOT-DEORAPPZSA-N 2 0 292.467 2.641 20 0 CFADRP COc1ccc(C(C)C)cc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000655938358 414495578 /nfs/dbraw/zinc/49/55/78/414495578.db2.gz SZUVKDROKIGIQA-CJNGLKHVSA-N 2 0 276.424 2.988 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281287 414495618 /nfs/dbraw/zinc/49/56/18/414495618.db2.gz MGCPFUUICPCIGR-HOTGVXAUSA-N 2 0 266.429 2.561 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000655939407 414495757 /nfs/dbraw/zinc/49/57/57/414495757.db2.gz PNARPCYTQNQTFE-BLLLJJGKSA-N 2 0 282.378 2.957 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCc2ccccc21 ZINC000662285098 414496710 /nfs/dbraw/zinc/49/67/10/414496710.db2.gz WLINSGGZKLEMEH-KBMXLJTQSA-N 2 0 258.409 2.918 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)noc2c1 ZINC000655941480 414496873 /nfs/dbraw/zinc/49/68/73/414496873.db2.gz VHDKHBJKQJTVNG-LSDHHAIUSA-N 2 0 299.418 2.692 20 0 CFADRP CCc1csc(CC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000655947688 414497446 /nfs/dbraw/zinc/49/74/46/414497446.db2.gz VOXJQKXRDKBXDL-CQSZACIVSA-N 2 0 293.480 2.570 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CCCC1 ZINC000662294595 414498903 /nfs/dbraw/zinc/49/89/03/414498903.db2.gz RGTNUBNWEVFGFD-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1 ZINC000662297045 414498935 /nfs/dbraw/zinc/49/89/35/414498935.db2.gz YIXXHPIPWMTBAH-IIAWOOMASA-N 2 0 276.424 2.858 20 0 CFADRP CC(C)OCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295366 414500011 /nfs/dbraw/zinc/50/00/11/414500011.db2.gz ZJTBLWIILYSMHZ-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1F ZINC000662306813 414502204 /nfs/dbraw/zinc/50/22/04/414502204.db2.gz TVGIPLFLBMHESB-CJNGLKHVSA-N 2 0 292.398 2.971 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662321362 414505014 /nfs/dbraw/zinc/50/50/14/414505014.db2.gz HMMIHWZIXFFGME-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662317980 414505034 /nfs/dbraw/zinc/50/50/34/414505034.db2.gz VHXACQXMALWDII-DOTOQJQBSA-N 2 0 274.408 2.529 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662316148 414505086 /nfs/dbraw/zinc/50/50/86/414505086.db2.gz IYUBINZHTWYCLH-GDBMZVCRSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1CCC[NH3+] ZINC000662317861 414505250 /nfs/dbraw/zinc/50/52/50/414505250.db2.gz UHHVXEFEKCGRDC-TZMCWYRMSA-N 2 0 277.412 2.891 20 0 CFADRP C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662318530 414505601 /nfs/dbraw/zinc/50/56/01/414505601.db2.gz BBOKZEXIYJDQDX-HOTGVXAUSA-N 2 0 278.440 2.552 20 0 CFADRP CCC(CC)CCC[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662315270 414506013 /nfs/dbraw/zinc/50/60/13/414506013.db2.gz DGBGQUINDNSFST-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc(O[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000662315518 414506136 /nfs/dbraw/zinc/50/61/36/414506136.db2.gz GGKUJHJXOMFUMZ-QGZVFWFLSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662322615 414506663 /nfs/dbraw/zinc/50/66/63/414506663.db2.gz WHRXOQAMXSKYQF-FUHWJXTLSA-N 2 0 290.451 2.833 20 0 CFADRP CCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327399 414507773 /nfs/dbraw/zinc/50/77/73/414507773.db2.gz ICCYZZOMGPQOMT-UHFFFAOYSA-N 2 0 290.455 2.856 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325514 414507874 /nfs/dbraw/zinc/50/78/74/414507874.db2.gz HRLQLQFPWOKUNX-BRWVUGGUSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCc3ccccc32)CCO1 ZINC000662323727 414507934 /nfs/dbraw/zinc/50/79/34/414507934.db2.gz PTATZYFEZFQXRV-WMZOPIPTSA-N 2 0 288.435 2.717 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC000662331995 414509235 /nfs/dbraw/zinc/50/92/35/414509235.db2.gz RJPFWJSDWZNPTF-GJZGRUSLSA-N 2 0 276.424 2.715 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000656193130 414529986 /nfs/dbraw/zinc/52/99/86/414529986.db2.gz QZCRRJNRRHOUSS-OLZOCXBDSA-N 2 0 252.789 2.742 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000656193131 414530009 /nfs/dbraw/zinc/53/00/09/414530009.db2.gz QZCRRJNRRHOUSS-QWHCGFSZSA-N 2 0 252.789 2.742 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000656193129 414530310 /nfs/dbraw/zinc/53/03/10/414530310.db2.gz QZCRRJNRRHOUSS-CHWSQXEVSA-N 2 0 252.789 2.742 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CCO2 ZINC000656198378 414532741 /nfs/dbraw/zinc/53/27/41/414532741.db2.gz RWTAGYQYRQKBLO-DVOMOZLQSA-N 2 0 290.407 2.768 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000656199728 414534054 /nfs/dbraw/zinc/53/40/54/414534054.db2.gz BQGISCMDLPPIRW-IAGOWNOFSA-N 2 0 287.451 2.937 20 0 CFADRP Cc1cnc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000656201404 414534805 /nfs/dbraw/zinc/53/48/05/414534805.db2.gz WWEBQPSKIANLKS-WMZOPIPTSA-N 2 0 281.403 2.975 20 0 CFADRP CO[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000659947288 414627383 /nfs/dbraw/zinc/62/73/83/414627383.db2.gz KJXMFYFPYRKOIR-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)=CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000659867323 414597248 /nfs/dbraw/zinc/59/72/48/414597248.db2.gz WLGDSSDERHTZHK-ROUUACIJSA-N 2 0 293.499 2.833 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000659871178 414601135 /nfs/dbraw/zinc/60/11/35/414601135.db2.gz OOQVZOIAFPYHNW-KSZLIROESA-N 2 0 293.499 2.525 20 0 CFADRP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)sn1 ZINC000659876368 414601739 /nfs/dbraw/zinc/60/17/39/414601739.db2.gz HCEASTKJPICAFR-UHFFFAOYSA-N 2 0 297.468 2.704 20 0 CFADRP Cc1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC000659877086 414602353 /nfs/dbraw/zinc/60/23/53/414602353.db2.gz PPKGOTFBHRELPG-UHFFFAOYSA-N 2 0 279.428 2.844 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000659947176 414628136 /nfs/dbraw/zinc/62/81/36/414628136.db2.gz JUWXCDMZCJVIIG-NVXWUHKLSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659927917 414619830 /nfs/dbraw/zinc/61/98/30/414619830.db2.gz RWQRNSZKNUCNGV-RDJZCZTQSA-N 2 0 272.436 2.990 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659944351 414626303 /nfs/dbraw/zinc/62/63/03/414626303.db2.gz JHBDOGVLRFMOHM-IRXDYDNUSA-N 2 0 280.456 2.752 20 0 CFADRP C1=CCC(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000659975696 414638585 /nfs/dbraw/zinc/63/85/85/414638585.db2.gz ZIPRDGFSCJIWDI-UHFFFAOYSA-N 2 0 278.440 2.529 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000659989295 414644642 /nfs/dbraw/zinc/64/46/42/414644642.db2.gz HVOVMKIYANCAIB-OLZOCXBDSA-N 2 0 262.388 2.941 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000660114576 414664022 /nfs/dbraw/zinc/66/40/22/414664022.db2.gz IXAGWRBSOSJMHP-QFXBJFAPSA-N 2 0 274.452 2.981 20 0 CFADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660014349 414650341 /nfs/dbraw/zinc/65/03/41/414650341.db2.gz SWRSZMRFAOSKHZ-ARFHVFGLSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660011381 414651235 /nfs/dbraw/zinc/65/12/35/414651235.db2.gz HKKMMPKRWNOBEE-CVEARBPZSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCCCCCC1)N1CC[NH+](C)CC1 ZINC000040435608 174261457 /nfs/dbraw/zinc/26/14/57/174261457.db2.gz ROARAPFEXNPKPW-SFHVURJKSA-N 2 0 295.515 2.961 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCOc2cc(C)cc(C)c2)C1 ZINC000040599948 174350045 /nfs/dbraw/zinc/35/00/45/174350045.db2.gz SRRNBXBPBLMTOC-MRXNPFEDSA-N 2 0 276.424 2.614 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000040668103 174366931 /nfs/dbraw/zinc/36/69/31/174366931.db2.gz QLPGSECFOOCNDZ-WMZOPIPTSA-N 2 0 295.515 2.959 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000040746905 174391876 /nfs/dbraw/zinc/39/18/76/174391876.db2.gz PABTUABHVKJFLZ-XYPWUTKMSA-N 2 0 274.408 2.589 20 0 CFADRP C[N@H+](CCSc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747063 174392494 /nfs/dbraw/zinc/39/24/94/174392494.db2.gz XVNJCHGCFJHXDO-YIONKMFJSA-N 2 0 276.449 2.994 20 0 CFADRP C[NH+](C)CCCC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660157160 414673198 /nfs/dbraw/zinc/67/31/98/414673198.db2.gz IZWHVFABIBGBJK-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP CC1(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCC1 ZINC000663343752 414676762 /nfs/dbraw/zinc/67/67/62/414676762.db2.gz DKJYAQAEJABHQI-OAHLLOKOSA-N 2 0 250.430 2.888 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344486 414676780 /nfs/dbraw/zinc/67/67/80/414676780.db2.gz UMPKVENSIYMJNY-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000663347001 414678291 /nfs/dbraw/zinc/67/82/91/414678291.db2.gz FDLXFGPLHMAYGF-CQSZACIVSA-N 2 0 264.438 2.960 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)CCc2ccco2)CC1 ZINC000044517694 175190390 /nfs/dbraw/zinc/19/03/90/175190390.db2.gz BCMUZESMKPPMNR-CQSZACIVSA-N 2 0 264.413 2.922 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000044517668 175190529 /nfs/dbraw/zinc/19/05/29/175190529.db2.gz FODMMUFRIVUACT-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP COc1cccc2cc(C[NH2+]CC3CC[NH+](C)CC3)oc21 ZINC000044516493 175190656 /nfs/dbraw/zinc/19/06/56/175190656.db2.gz QAYSQZJQYPUIJQ-UHFFFAOYSA-N 2 0 288.391 2.873 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044533840 175197389 /nfs/dbraw/zinc/19/73/89/175197389.db2.gz PDUCTWJMBAFOQY-UKRRQHHQSA-N 2 0 289.423 2.637 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000044534363 175197499 /nfs/dbraw/zinc/19/74/99/175197499.db2.gz HQAANOJHOJNAAC-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044535061 175198596 /nfs/dbraw/zinc/19/85/96/175198596.db2.gz XELJORFIJSYZHZ-DOTOQJQBSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623158 287318790 /nfs/dbraw/zinc/31/87/90/287318790.db2.gz UECXVIFPRQOZIX-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000362635071 287395046 /nfs/dbraw/zinc/39/50/46/287395046.db2.gz AERYJGMOASYHJB-KURKYZTESA-N 2 0 293.499 2.525 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(C)(C)O ZINC000393674339 270308455 /nfs/dbraw/zinc/30/84/55/270308455.db2.gz SUEZTNKCWGIRJW-KGLIPLIRSA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000193124187 228056839 /nfs/dbraw/zinc/05/68/39/228056839.db2.gz CKJAMTGQNJGFAV-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000154252259 289889585 /nfs/dbraw/zinc/88/95/85/289889585.db2.gz YWFDQAOWYVRUPR-QGZVFWFLSA-N 2 0 281.488 2.739 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000400971636 420503641 /nfs/dbraw/zinc/50/36/41/420503641.db2.gz PKHUUGMXSJDWMS-ZMSDIMECSA-N 2 0 272.436 2.942 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916361 420500935 /nfs/dbraw/zinc/50/09/35/420500935.db2.gz WZBZAWNYQXQRSB-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916237 420501430 /nfs/dbraw/zinc/50/14/30/420501430.db2.gz RHFUFPLRPSDZSE-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000400923831 420502601 /nfs/dbraw/zinc/50/26/01/420502601.db2.gz GUIIZAODXDVSNO-UMVBOHGHSA-N 2 0 250.430 2.790 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400915677 420502913 /nfs/dbraw/zinc/50/29/13/420502913.db2.gz DAPSDXSBVQPPBX-DJIMGWMZSA-N 2 0 281.403 2.713 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000397336640 270317466 /nfs/dbraw/zinc/31/74/66/270317466.db2.gz TYAWSGGLBUESLY-CWSCBRNRSA-N 2 0 267.442 2.565 20 0 CFADRP COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397478135 270318409 /nfs/dbraw/zinc/31/84/09/270318409.db2.gz JESSQQUOPUFAQX-IPYPFGDCSA-N 2 0 262.397 2.500 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000222975094 270254955 /nfs/dbraw/zinc/25/49/55/270254955.db2.gz BEYOSQMOHJIZER-YUTCNCBUSA-N 2 0 278.396 2.624 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000525486744 260197401 /nfs/dbraw/zinc/19/74/01/260197401.db2.gz GCOLQQKEFUSEPM-QGZVFWFLSA-N 2 0 290.451 2.956 20 0 CFADRP CC(C)c1ccc([C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313403664 260291474 /nfs/dbraw/zinc/29/14/74/260291474.db2.gz VHQSJZSKZWSIMM-YOEHRIQHSA-N 2 0 276.424 2.921 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000521067669 260365526 /nfs/dbraw/zinc/36/55/26/260365526.db2.gz AHAMDXHBWLNQGH-IXDOHACOSA-N 2 0 275.440 2.669 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000394487430 260979070 /nfs/dbraw/zinc/97/90/70/260979070.db2.gz PCJBBGRCRXYWNI-VIQHNZTISA-N 2 0 282.472 2.948 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000391116553 262381817 /nfs/dbraw/zinc/38/18/17/262381817.db2.gz JEUGGAGSNIEMAT-KGLIPLIRSA-N 2 0 273.405 2.728 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)ccn1 ZINC000391129713 262382806 /nfs/dbraw/zinc/38/28/06/262382806.db2.gz FWTNMQHPUISXQM-GDBMZVCRSA-N 2 0 261.413 2.790 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000314652556 265173925 /nfs/dbraw/zinc/17/39/25/265173925.db2.gz GSATWPUCVVBSCB-IAGOWNOFSA-N 2 0 288.435 2.614 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516212 265183124 /nfs/dbraw/zinc/18/31/24/265183124.db2.gz OJCYYCVLNKOYLG-JKSUJKDBSA-N 2 0 270.461 2.950 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000040770294 270227098 /nfs/dbraw/zinc/22/70/98/270227098.db2.gz DAJAUOGOURHIFR-WMZOPIPTSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192437411 270231715 /nfs/dbraw/zinc/23/17/15/270231715.db2.gz WHSKKQWMCXUPRJ-INIZCTEOSA-N 2 0 290.451 2.874 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)[NH+]1CCCCCC1 ZINC000192466001 270232013 /nfs/dbraw/zinc/23/20/13/270232013.db2.gz JNKQRTNIJHRKSV-ULQDDVLXSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H](C)C2)CC1 ZINC000192803557 270234704 /nfs/dbraw/zinc/23/47/04/270234704.db2.gz ZHHNUDYRHDSMOL-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000192721729 270233500 /nfs/dbraw/zinc/23/35/00/270233500.db2.gz VIZSDAPYAPLOLE-MRXNPFEDSA-N 2 0 293.499 2.665 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000230766119 270260171 /nfs/dbraw/zinc/26/01/71/270260171.db2.gz GGCUKHITTNFPIO-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000237172680 270265328 /nfs/dbraw/zinc/26/53/28/270265328.db2.gz SLGKUOFZUUFWJQ-UHFFFAOYSA-N 2 0 297.402 2.720 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000360967243 270304686 /nfs/dbraw/zinc/30/46/86/270304686.db2.gz WFVOPJIWBKREOE-BRWVUGGUSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000392200181 270306710 /nfs/dbraw/zinc/30/67/10/270306710.db2.gz XMGDMRWWJXYNOU-UHFFFAOYSA-N 2 0 256.393 2.916 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393420807 270307589 /nfs/dbraw/zinc/30/75/89/270307589.db2.gz ILFHPWWFEQFLNB-GJZGRUSLSA-N 2 0 262.397 2.520 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397253733 270316709 /nfs/dbraw/zinc/31/67/09/270316709.db2.gz QGNVFTVGXRGIHL-YCPHGPKFSA-N 2 0 276.424 2.809 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000397329653 270317579 /nfs/dbraw/zinc/31/75/79/270317579.db2.gz PLIUCYAICLCXEB-INMHGKMJSA-N 2 0 282.472 2.889 20 0 CFADRP COCc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397408957 270317732 /nfs/dbraw/zinc/31/77/32/270317732.db2.gz NPKZGYKFLRNFNU-KEYYUXOJSA-N 2 0 276.424 2.638 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000397399758 270318188 /nfs/dbraw/zinc/31/81/88/270318188.db2.gz QPGHRGWAAGINSP-YDHLFZDLSA-N 2 0 262.397 2.500 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000397884292 270320473 /nfs/dbraw/zinc/32/04/73/270320473.db2.gz AYKBDDWYQSUFAE-MQYQWHSLSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000398008188 270321503 /nfs/dbraw/zinc/32/15/03/270321503.db2.gz ADKQJGZIBINTFJ-UBDQQSCGSA-N 2 0 287.451 2.509 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000399194665 270326907 /nfs/dbraw/zinc/32/69/07/270326907.db2.gz RMNDHERHWYMMOW-INIZCTEOSA-N 2 0 289.423 2.594 20 0 CFADRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1C ZINC000424376595 270333272 /nfs/dbraw/zinc/33/32/72/270333272.db2.gz KZEREDCQAIEPRW-HNNXBMFYSA-N 2 0 288.435 2.968 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424377051 270333298 /nfs/dbraw/zinc/33/32/98/270333298.db2.gz MANJVQWYBCQYPO-QUSNUVHPSA-N 2 0 262.441 2.933 20 0 CFADRP CC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000514792413 270354083 /nfs/dbraw/zinc/35/40/83/270354083.db2.gz MJJKXTMOWNZNGL-GJZGRUSLSA-N 2 0 296.480 2.581 20 0 CFADRP c1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)sc2c1CCCC2 ZINC000515053337 270361439 /nfs/dbraw/zinc/36/14/39/270361439.db2.gz PAOIHUIRRQTQFI-PBWFPOADSA-N 2 0 276.449 3.000 20 0 CFADRP CC1CCC(O)(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000515054810 270361864 /nfs/dbraw/zinc/36/18/64/270361864.db2.gz JARRMHXMUUPYOR-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000515346004 270368565 /nfs/dbraw/zinc/36/85/65/270368565.db2.gz HRGAXSYMYFEBJC-KBPBESRZSA-N 2 0 264.413 2.937 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000516045974 270377051 /nfs/dbraw/zinc/37/70/51/270377051.db2.gz BDYPGFKKWHZQIV-IOASZLSFSA-N 2 0 274.408 2.790 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000517217377 270399902 /nfs/dbraw/zinc/39/99/02/270399902.db2.gz FOBGGRHNOHYECH-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)CC(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000530226572 270776210 /nfs/dbraw/zinc/77/62/10/270776210.db2.gz SJPMTYXUELFDAP-HOTGVXAUSA-N 2 0 280.456 2.641 20 0 CFADRP CC(C)c1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268977034 273563471 /nfs/dbraw/zinc/56/34/71/273563471.db2.gz JRFBIJVSBJDSBW-OAHLLOKOSA-N 2 0 290.451 2.917 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000414919103 274127574 /nfs/dbraw/zinc/12/75/74/274127574.db2.gz WAKGVRNVWJLZNX-AEFFLSMTSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CC2 ZINC000414801577 274128409 /nfs/dbraw/zinc/12/84/09/274128409.db2.gz LYWCIUICXXPZKW-LESCRADOSA-N 2 0 288.435 2.660 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000423490805 274137693 /nfs/dbraw/zinc/13/76/93/274137693.db2.gz ILBHNCWIKNUFHI-SUYBPPKGSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423375003 274138044 /nfs/dbraw/zinc/13/80/44/274138044.db2.gz IOGNHEHYCBYZON-CKEIUWERSA-N 2 0 274.408 2.932 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C2 ZINC000415013359 274153594 /nfs/dbraw/zinc/15/35/94/274153594.db2.gz KQXFKHYBBHTXFR-HIFRSBDPSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH3+] ZINC000423187654 274210633 /nfs/dbraw/zinc/21/06/33/274210633.db2.gz LAHRAHXDKPQPSY-NSHDSACASA-N 2 0 274.330 2.965 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423254751 274247635 /nfs/dbraw/zinc/24/76/35/274247635.db2.gz ZHZGKBJEMLWFMP-HUUCEWRRSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422910237 274305315 /nfs/dbraw/zinc/30/53/15/274305315.db2.gz PWSYRXRRDHRLJC-UNEWFSDZSA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000361965590 274334646 /nfs/dbraw/zinc/33/46/46/274334646.db2.gz HIRHYMKYZWRWFS-COXVUDFISA-N 2 0 290.476 2.947 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000153845695 274340497 /nfs/dbraw/zinc/34/04/97/274340497.db2.gz JKOISHNXHXVFMT-YFHUEUNASA-N 2 0 287.451 2.584 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000420291453 274358106 /nfs/dbraw/zinc/35/81/06/274358106.db2.gz NOPDHFDGCWFXLE-XFBWCDHKSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423383842 274377646 /nfs/dbraw/zinc/37/76/46/274377646.db2.gz FIUAZUMXILWJJE-XFBWCDHKSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000248181412 274392488 /nfs/dbraw/zinc/39/24/88/274392488.db2.gz WMQYYGGFJVSCQU-KFWWJZLASA-N 2 0 274.408 2.625 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)CC[NH2+]1 ZINC000423379219 274393462 /nfs/dbraw/zinc/39/34/62/274393462.db2.gz MQOVUEYZDIYLOY-DIOULYMOSA-N 2 0 262.372 2.933 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000449186080 287753220 /nfs/dbraw/zinc/75/32/20/287753220.db2.gz HGLJNIFVHPUKCG-WTNVTLLGSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423130609 274516069 /nfs/dbraw/zinc/51/60/69/274516069.db2.gz GWVFHEXWSSJOTM-HJWJTTGWSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335015092 274564496 /nfs/dbraw/zinc/56/44/96/274564496.db2.gz XZQDZVJYDGAYAB-XJKSGUPXSA-N 2 0 273.424 2.522 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815466 274564526 /nfs/dbraw/zinc/56/45/26/274564526.db2.gz BVGXIZTXKCJSAK-WMLDXEAASA-N 2 0 283.419 2.755 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423068986 274799837 /nfs/dbraw/zinc/79/98/37/274799837.db2.gz LBXXSRSCMNNHHP-NWANDNLSSA-N 2 0 260.381 2.536 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1[C@H](C)C[C@H]1C ZINC000335332618 274866643 /nfs/dbraw/zinc/86/66/43/274866643.db2.gz DBJWRKBSXHAETD-VXGBXAGGSA-N 2 0 256.353 2.558 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000089150614 274949204 /nfs/dbraw/zinc/94/92/04/274949204.db2.gz ONTCLMDSKFBTDL-GWCFXTLKSA-N 2 0 272.314 2.922 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000236587138 275061346 /nfs/dbraw/zinc/06/13/46/275061346.db2.gz NJZKXYZHIFWKOV-HDMKZQKVSA-N 2 0 286.419 2.986 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159044134 275070649 /nfs/dbraw/zinc/07/06/49/275070649.db2.gz MCUHYWOXFIVFOE-GJZGRUSLSA-N 2 0 286.419 2.627 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCc4cccnc4CC3)ccc12 ZINC000421858395 275077543 /nfs/dbraw/zinc/07/75/43/275077543.db2.gz QOEMWJJSFIBHAV-INIZCTEOSA-N 2 0 292.386 2.767 20 0 CFADRP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000334848139 275370575 /nfs/dbraw/zinc/37/05/75/275370575.db2.gz IHRWZKVWVZDUOJ-AWEZNQCLSA-N 2 0 295.224 2.778 20 0 CFADRP C(C[NH2+]C1CCCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000423286651 275393801 /nfs/dbraw/zinc/39/38/01/275393801.db2.gz HYYRLMVHMIKROE-UHFFFAOYSA-N 2 0 279.472 2.515 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459777747 275393864 /nfs/dbraw/zinc/39/38/64/275393864.db2.gz LPZUFENLJTWICM-KOWPAETKSA-N 2 0 262.441 2.933 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC12CCSCC2 ZINC000421379520 275395268 /nfs/dbraw/zinc/39/52/68/275395268.db2.gz LJHLDFWRKIPHJM-RRFJBIMHSA-N 2 0 280.481 2.736 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423376723 275672217 /nfs/dbraw/zinc/67/22/17/275672217.db2.gz YMSKGCVNQDENJA-IAGOWNOFSA-N 2 0 260.425 2.985 20 0 CFADRP CC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000423017784 275897112 /nfs/dbraw/zinc/89/71/12/275897112.db2.gz PNWWENMBHFOZCH-IRXDYDNUSA-N 2 0 272.436 2.899 20 0 CFADRP CC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000423017785 275897127 /nfs/dbraw/zinc/89/71/27/275897127.db2.gz PNWWENMBHFOZCH-SJORKVTESA-N 2 0 272.436 2.899 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000422998998 276003223 /nfs/dbraw/zinc/00/32/23/276003223.db2.gz XKHYAOWYKMMXJM-ZCPGHIKRSA-N 2 0 274.408 2.924 20 0 CFADRP CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336695156 276014427 /nfs/dbraw/zinc/01/44/27/276014427.db2.gz ACIOSWUPINMRGO-IRXDYDNUSA-N 2 0 258.409 2.850 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420299913 276019294 /nfs/dbraw/zinc/01/92/94/276019294.db2.gz JRNQGCWMYDYMBR-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414941410 276042329 /nfs/dbraw/zinc/04/23/29/276042329.db2.gz ASMLCLVATFQQKY-QZTJIDSGSA-N 2 0 290.451 2.756 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000475050701 276095450 /nfs/dbraw/zinc/09/54/50/276095450.db2.gz XKDLDXZKTOIAOQ-GOSISDBHSA-N 2 0 296.499 2.981 20 0 CFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@H](COC)Cc1ccccc1 ZINC000337063181 276121274 /nfs/dbraw/zinc/12/12/74/276121274.db2.gz YONUOTROKUNHIA-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422958459 276144672 /nfs/dbraw/zinc/14/46/72/276144672.db2.gz XXBJUXLDCJYHQB-DDUZABMNSA-N 2 0 286.419 2.878 20 0 CFADRP CCC1(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCOCC1 ZINC000459726351 276219109 /nfs/dbraw/zinc/21/91/09/276219109.db2.gz BRVRYXLYBRXYKL-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP CCCCCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378298319 276226923 /nfs/dbraw/zinc/22/69/23/276226923.db2.gz YGTBKUJMFYWJSS-QGZVFWFLSA-N 2 0 281.488 2.667 20 0 CFADRP CCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000371984799 276228531 /nfs/dbraw/zinc/22/85/31/276228531.db2.gz PBDAQCNUFRSEMT-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1C[C@@H](C)[C@@H](NCCC[NH+](C)C2CCCCC2)C1 ZINC000343087052 276243271 /nfs/dbraw/zinc/24/32/71/276243271.db2.gz UKVSONPXJJLXIC-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000336815311 276308843 /nfs/dbraw/zinc/30/88/43/276308843.db2.gz HMVNHYSXJBRVGF-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000434757602 276327828 /nfs/dbraw/zinc/32/78/28/276327828.db2.gz GYTKGUXQHBDTES-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000344030103 276351596 /nfs/dbraw/zinc/35/15/96/276351596.db2.gz YPAPKRLFCVRIJX-DLBZAZTESA-N 2 0 292.467 2.941 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)C1 ZINC000420299192 276398750 /nfs/dbraw/zinc/39/87/50/276398750.db2.gz IFPMKUNYQHVHPW-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000449080774 276384118 /nfs/dbraw/zinc/38/41/18/276384118.db2.gz ZBRIVNMDPFIPFO-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422819706 276398591 /nfs/dbraw/zinc/39/85/91/276398591.db2.gz NPIJVPRYPIGNDE-RQJABVFESA-N 2 0 256.459 2.781 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSC(C)C)[C@H](C)C1 ZINC000336686602 276399640 /nfs/dbraw/zinc/39/96/40/276399640.db2.gz DZXSYKJLRXTZEX-KGLIPLIRSA-N 2 0 258.475 2.790 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000423433221 276474538 /nfs/dbraw/zinc/47/45/38/276474538.db2.gz WRSAEXGBSIFGTK-KLHDSHLOSA-N 2 0 280.456 2.689 20 0 CFADRP CC[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000422961890 276569538 /nfs/dbraw/zinc/56/95/38/276569538.db2.gz DCXIPPARZIDDNX-XYPHTWIQSA-N 2 0 273.424 2.595 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[C@@H]1C ZINC000414087179 276583538 /nfs/dbraw/zinc/58/35/38/276583538.db2.gz IEEYOOKOMHVBTP-FUJDEKNSSA-N 2 0 294.483 2.779 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000423541086 276591836 /nfs/dbraw/zinc/59/18/36/276591836.db2.gz FDHVUQDOEAKYIY-QKPAOTATSA-N 2 0 268.445 2.844 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000334245244 276772676 /nfs/dbraw/zinc/77/26/76/276772676.db2.gz RSBXECQRWQJEKU-CGZBRXJRSA-N 2 0 288.435 2.843 20 0 CFADRP C[NH+](C)CCOCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000234243952 276792058 /nfs/dbraw/zinc/79/20/58/276792058.db2.gz AMABEYGWUNKKGO-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000334214525 276796612 /nfs/dbraw/zinc/79/66/12/276796612.db2.gz GJMVYSUMLWMUHE-LBPRGKRZSA-N 2 0 273.355 2.762 20 0 CFADRP C(C[NH+]1CCC([NH+]2CCCC2)CC1)[C@H]1CCCCO1 ZINC000347393481 276804160 /nfs/dbraw/zinc/80/41/60/276804160.db2.gz NUCOGMZHCGNRDR-MRXNPFEDSA-N 2 0 266.429 2.506 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337437994 277044697 /nfs/dbraw/zinc/04/46/97/277044697.db2.gz KKLSIZOSGWSIQD-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000459790109 277073621 /nfs/dbraw/zinc/07/36/21/277073621.db2.gz QUGDVXOLABEWGN-QAPCUYQASA-N 2 0 272.436 2.865 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000363161407 277151501 /nfs/dbraw/zinc/15/15/01/277151501.db2.gz VCKBNLXSBMFZIR-UHFFFAOYSA-N 2 0 282.472 2.924 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000367739927 277170069 /nfs/dbraw/zinc/17/00/69/277170069.db2.gz YGQCUZLSLKXHCA-SQNIBIBYSA-N 2 0 270.420 2.616 20 0 CFADRP COC1([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)CCCCC1 ZINC000421833150 277189536 /nfs/dbraw/zinc/18/95/36/277189536.db2.gz IGWQPMYPOQAXGJ-CQSZACIVSA-N 2 0 266.429 2.576 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000349717081 277192897 /nfs/dbraw/zinc/19/28/97/277192897.db2.gz CDGBWXOCHRMQDT-WHHARQNVSA-N 2 0 282.472 2.900 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000494306492 277196627 /nfs/dbraw/zinc/19/66/27/277196627.db2.gz CVUOXSGTPAHUCV-GASCZTMLSA-N 2 0 270.461 2.617 20 0 CFADRP COCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000422891526 277203282 /nfs/dbraw/zinc/20/32/82/277203282.db2.gz VOIJZNYPZRJQGA-RDJZCZTQSA-N 2 0 290.451 2.741 20 0 CFADRP CC(C)(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000374783075 277223068 /nfs/dbraw/zinc/22/30/68/277223068.db2.gz YRCYUGREYJLBKS-ILXRZTDVSA-N 2 0 282.497 2.934 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000420385390 277267345 /nfs/dbraw/zinc/26/73/45/277267345.db2.gz HQWNKFMTENJJSC-AWEZNQCLSA-N 2 0 252.789 2.869 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423204571 277268514 /nfs/dbraw/zinc/26/85/14/277268514.db2.gz UTZOLWHTJWSFIY-NSHDSACASA-N 2 0 252.427 2.887 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423281907 277274934 /nfs/dbraw/zinc/27/49/34/277274934.db2.gz VWVMCCBRJKMSBI-WBMJQRKESA-N 2 0 276.424 2.863 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000423281407 277282462 /nfs/dbraw/zinc/28/24/62/277282462.db2.gz VKSLRKUVJAZTRZ-XJKSGUPXSA-N 2 0 276.424 2.962 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423256382 277282729 /nfs/dbraw/zinc/28/27/29/277282729.db2.gz BTIKQOCAKRASPE-XHDPSFHLSA-N 2 0 250.361 2.648 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1(C)C ZINC000261570576 277312466 /nfs/dbraw/zinc/31/24/66/277312466.db2.gz OVXAXWSZJPNMCC-CBBWQLFWSA-N 2 0 268.445 2.700 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000284327348 277330241 /nfs/dbraw/zinc/33/02/41/277330241.db2.gz IJYUFROKKFXZSV-FUHWJXTLSA-N 2 0 288.435 2.792 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000453327260 277357588 /nfs/dbraw/zinc/35/75/88/277357588.db2.gz ULPMSWZPVLFTJL-CWLKWCNXSA-N 2 0 290.451 2.867 20 0 CFADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423096032 277357947 /nfs/dbraw/zinc/35/79/47/277357947.db2.gz NTNLACMCXXHMHT-YYIAUSFCSA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344744129 277367532 /nfs/dbraw/zinc/36/75/32/277367532.db2.gz KHBAHKHSTYBYTJ-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423267592 277447774 /nfs/dbraw/zinc/44/77/74/277447774.db2.gz CTXCCJFIUFEJRQ-CQDKDKBSSA-N 2 0 292.398 2.929 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000359950980 277713546 /nfs/dbraw/zinc/71/35/46/277713546.db2.gz WUXLZXMTXKVVKT-YHUYYLMFSA-N 2 0 270.461 2.758 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423489369 277734104 /nfs/dbraw/zinc/73/41/04/277734104.db2.gz WHEMXFWWCBVCPY-UAGQMJEPSA-N 2 0 276.424 2.884 20 0 CFADRP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000376559983 277748370 /nfs/dbraw/zinc/74/83/70/277748370.db2.gz BHCUIAPPOMSUFU-ZBFHGGJFSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423482219 277759625 /nfs/dbraw/zinc/75/96/25/277759625.db2.gz OVRUMMJKUTWYRF-HZPDHXFCSA-N 2 0 261.413 2.901 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C)C1 ZINC000415009857 277781498 /nfs/dbraw/zinc/78/14/98/277781498.db2.gz OLMSOSQINUGCPE-HUHANWACSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000474867919 277786617 /nfs/dbraw/zinc/78/66/17/277786617.db2.gz JWFTXZUAGMXEHO-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000353392657 277821629 /nfs/dbraw/zinc/82/16/29/277821629.db2.gz GYXWCPFGODUOLR-KNIAUWFNSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414798304 277909388 /nfs/dbraw/zinc/90/93/88/277909388.db2.gz QCWUFJCPLJNZKN-OIISXLGYSA-N 2 0 281.488 2.602 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423537621 277991546 /nfs/dbraw/zinc/99/15/46/277991546.db2.gz DJDLXIMZYWAHGM-LUXYFRNMSA-N 2 0 286.419 2.660 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423404713 277992345 /nfs/dbraw/zinc/99/23/45/277992345.db2.gz XPPJWNLPBRUOGD-DVOMOZLQSA-N 2 0 260.381 2.542 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000368527491 278003346 /nfs/dbraw/zinc/00/33/46/278003346.db2.gz LLCYMRLNGMJPCZ-IXDOHACOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@@H](C)O1 ZINC000449081963 278025561 /nfs/dbraw/zinc/02/55/61/278025561.db2.gz JEUTVABDGFBBIB-FPCVCCKLSA-N 2 0 268.445 2.797 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537600 278033498 /nfs/dbraw/zinc/03/34/98/278033498.db2.gz DGFYRZWSTWSOML-ZJOBFFGXSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000422705279 278168993 /nfs/dbraw/zinc/16/89/93/278168993.db2.gz BQNJFJPELFRZPB-RBSFLKMASA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000351734872 278223203 /nfs/dbraw/zinc/22/32/03/278223203.db2.gz KCVLCTSILIGWDV-KCQAQPDRSA-N 2 0 254.393 2.683 20 0 CFADRP C[C@@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000348994566 278225251 /nfs/dbraw/zinc/22/52/51/278225251.db2.gz JUUJFWFLEHOIAK-FUHWJXTLSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000350022487 278225613 /nfs/dbraw/zinc/22/56/13/278225613.db2.gz YDCCOBCIQVPMBT-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000344449662 278226175 /nfs/dbraw/zinc/22/61/75/278226175.db2.gz QEMDZKBJJQBGFP-AWEZNQCLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415028869 278227166 /nfs/dbraw/zinc/22/71/66/278227166.db2.gz AKQUIYIUVGSUPJ-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000422915628 278228091 /nfs/dbraw/zinc/22/80/91/278228091.db2.gz YUUZIKNWGACSDL-QWRGUYRKSA-N 2 0 267.442 2.800 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423312968 278245588 /nfs/dbraw/zinc/24/55/88/278245588.db2.gz VWHBELZOSTVQRT-XHDPSFHLSA-N 2 0 257.381 2.730 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)[C@H]1CCCC[NH2+]1 ZINC000423560617 278261036 /nfs/dbraw/zinc/26/10/36/278261036.db2.gz VFWFKMMGYHCBBT-MELADBBJSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@H](O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336836234 278286805 /nfs/dbraw/zinc/28/68/05/278286805.db2.gz WLRBIQVVSAMFOM-IKGGRYGDSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000414815851 278318667 /nfs/dbraw/zinc/31/86/67/278318667.db2.gz YNBNOXNENGHGAC-LLVKDONJSA-N 2 0 250.411 2.692 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000414815138 278319109 /nfs/dbraw/zinc/31/91/09/278319109.db2.gz WWJMFZBZZCDELJ-RISCZKNCSA-N 2 0 250.411 2.692 20 0 CFADRP CC(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335425361 278327308 /nfs/dbraw/zinc/32/73/08/278327308.db2.gz KCQITQUOJNXMPF-YOEHRIQHSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCCC1 ZINC000415062172 278334450 /nfs/dbraw/zinc/33/44/50/278334450.db2.gz ZYPFOSQOEDCPNW-FAEJEUNOSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000368425790 278335494 /nfs/dbraw/zinc/33/54/94/278335494.db2.gz SOEBUIDHTMVUMV-DKIMLUQUSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCSCC1 ZINC000187029014 278335726 /nfs/dbraw/zinc/33/57/26/278335726.db2.gz SCPZVMHNDRNXBJ-CYBMUJFWSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000133123988 278335985 /nfs/dbraw/zinc/33/59/85/278335985.db2.gz MONUEDPRYLKNBD-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021438 278338105 /nfs/dbraw/zinc/33/81/05/278338105.db2.gz JHXABZFCAYJGMG-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1nccc2ccccc21 ZINC000423352148 278341733 /nfs/dbraw/zinc/34/17/33/278341733.db2.gz JWHBQHRSUUOBLO-CYBMUJFWSA-N 2 0 267.376 2.805 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCOC1 ZINC000124330802 288035280 /nfs/dbraw/zinc/03/52/80/288035280.db2.gz ZNPWCHXZGDPSTF-ZFWWWQNUSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@@H]1CCCOC1 ZINC000423265543 278347711 /nfs/dbraw/zinc/34/77/11/278347711.db2.gz BEUXCUPCGIADEK-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1CCOCC1 ZINC000120985520 278357437 /nfs/dbraw/zinc/35/74/37/278357437.db2.gz ZYRDFZDTSFJKMF-CYBMUJFWSA-N 2 0 294.414 2.792 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423358292 289961135 /nfs/dbraw/zinc/96/11/35/289961135.db2.gz JGMRZNTWNGEXDO-UONOGXRCSA-N 2 0 261.413 2.545 20 0 CFADRP CC(C)(C)OC(=O)CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358657096 278373265 /nfs/dbraw/zinc/37/32/65/278373265.db2.gz YGMJWBCHPOLBTJ-UHFFFAOYSA-N 2 0 298.471 2.961 20 0 CFADRP C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1C[NH2+]C1 ZINC000422722932 278380314 /nfs/dbraw/zinc/38/03/14/278380314.db2.gz ZCXHKTJRBBIHCD-BZNIZROVSA-N 2 0 262.372 2.864 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414715988 278475332 /nfs/dbraw/zinc/47/53/32/278475332.db2.gz XQQQLNWSFWHMNX-STQMWFEESA-N 2 0 262.372 2.793 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000134157317 278496262 /nfs/dbraw/zinc/49/62/62/278496262.db2.gz LJFXRDIIJNCMTA-GDBMZVCRSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C1 ZINC000414943581 278515055 /nfs/dbraw/zinc/51/50/55/278515055.db2.gz NWQOZEVMMFENAC-XYVMCAHJSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[NH2+]C[C@H]3C)CC2)C1 ZINC000414943576 278515254 /nfs/dbraw/zinc/51/52/54/278515254.db2.gz NWQOZEVMMFENAC-LMSBXDPUSA-N 2 0 293.499 2.617 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000192477594 278539726 /nfs/dbraw/zinc/53/97/26/278539726.db2.gz UYIDMZNPHIWCEH-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC1CC[NH+](CCN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000373874133 278541580 /nfs/dbraw/zinc/54/15/80/278541580.db2.gz YQOFTPAROQHRRY-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000423371790 288070228 /nfs/dbraw/zinc/07/02/28/288070228.db2.gz FTDZDIMOXYWQQN-WQVCFCJDSA-N 2 0 290.407 2.654 20 0 CFADRP CCC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157284225 278805776 /nfs/dbraw/zinc/80/57/76/278805776.db2.gz LHEITCMRGLRZCC-IRXDYDNUSA-N 2 0 273.424 2.595 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000247066505 278870020 /nfs/dbraw/zinc/87/00/20/278870020.db2.gz MSXLFYPZXXOKDB-GVDBMIGSSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(C)C ZINC000336817269 278928482 /nfs/dbraw/zinc/92/84/82/278928482.db2.gz PMWNQBVKWMHWKR-RRFJBIMHSA-N 2 0 270.461 2.613 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000352881478 279094204 /nfs/dbraw/zinc/09/42/04/279094204.db2.gz ZPPZAJIBTNNZFQ-CVEARBPZSA-N 2 0 270.461 2.734 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778522 279094407 /nfs/dbraw/zinc/09/44/07/279094407.db2.gz IYWFSRLTEWLHDW-ARFHVFGLSA-N 2 0 252.446 2.990 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249046222 279095873 /nfs/dbraw/zinc/09/58/73/279095873.db2.gz NSQDYFVYOWAUAJ-WMZOPIPTSA-N 2 0 293.499 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367618952 279101591 /nfs/dbraw/zinc/10/15/91/279101591.db2.gz URDWAKLVFZOFKL-ZFWWWQNUSA-N 2 0 278.444 2.887 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000249298744 288104237 /nfs/dbraw/zinc/10/42/37/288104237.db2.gz FIOZEISVPSIBNI-VQHPVUNQSA-N 2 0 281.488 2.569 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000361921773 279121115 /nfs/dbraw/zinc/12/11/15/279121115.db2.gz CWQVSDMCNAJFQV-OWSLCNJRSA-N 2 0 295.515 2.959 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccsc1 ZINC000422868985 279165382 /nfs/dbraw/zinc/16/53/82/279165382.db2.gz WLISRPQPHIJZLU-NUEKZKHPSA-N 2 0 295.496 2.848 20 0 CFADRP CC[NH+](CC)[C@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000340284871 279168769 /nfs/dbraw/zinc/16/87/69/279168769.db2.gz BRVMRQRUARVKPL-DLBZAZTESA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccs1 ZINC000269071799 279192211 /nfs/dbraw/zinc/19/22/11/279192211.db2.gz XFLXAVPYOSTAGG-AWEZNQCLSA-N 2 0 296.480 2.882 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423541823 279254741 /nfs/dbraw/zinc/25/47/41/279254741.db2.gz FTACNTUPZNMOSD-OLZOCXBDSA-N 2 0 256.459 2.627 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000422951844 279255210 /nfs/dbraw/zinc/25/52/10/279255210.db2.gz AJEMXHHRDADTLD-BXUZGUMPSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000423168282 279255241 /nfs/dbraw/zinc/25/52/41/279255241.db2.gz UEJCTRJNDHKQAE-GHMZBOCLSA-N 2 0 267.442 2.800 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423150793 279256553 /nfs/dbraw/zinc/25/65/53/279256553.db2.gz CJMSICMZUAPLGN-KCJUWKMLSA-N 2 0 272.314 2.808 20 0 CFADRP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245826385 279284405 /nfs/dbraw/zinc/28/44/05/279284405.db2.gz AZQLROPENZHAQX-RYRKJORJSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000422859035 279349544 /nfs/dbraw/zinc/34/95/44/279349544.db2.gz JLPHFIYMJJDKGS-UYTYNIKBSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422913902 279352334 /nfs/dbraw/zinc/35/23/34/279352334.db2.gz ZJHOFFGFBFPHAS-NXHRZFHOSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Cc1cccs1 ZINC000167480710 279353674 /nfs/dbraw/zinc/35/36/74/279353674.db2.gz FYLSADTYKPIVLF-GUTXKFCHSA-N 2 0 266.454 2.857 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422770722 279370681 /nfs/dbraw/zinc/37/06/81/279370681.db2.gz XBJABHZNBHIFQN-GUTXKFCHSA-N 2 0 279.403 2.510 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414929052 279372083 /nfs/dbraw/zinc/37/20/83/279372083.db2.gz NJQBSYNLCRGSGD-VMGRFDJRSA-N 2 0 273.424 2.766 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000334801894 279394242 /nfs/dbraw/zinc/39/42/42/279394242.db2.gz PVVBQYNYGFVVEW-MEDUHNTESA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000336574674 288151130 /nfs/dbraw/zinc/15/11/30/288151130.db2.gz RPGDSCZGJNEMHD-SJLPKXTDSA-N 2 0 293.499 2.525 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000415024730 279656433 /nfs/dbraw/zinc/65/64/33/279656433.db2.gz ODLBCULRNFTIHG-XOUADPBQSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000449734426 279657730 /nfs/dbraw/zinc/65/77/30/279657730.db2.gz BLKUNVROMJEEPP-CWLKWCNXSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH3+])CC2)C1(C)C ZINC000423046781 279694407 /nfs/dbraw/zinc/69/44/07/279694407.db2.gz FSWDPCAFTKCJHD-NEXFUWMNSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000179584112 288156839 /nfs/dbraw/zinc/15/68/39/288156839.db2.gz KPXOZHOOQNWDEK-GASCZTMLSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000269075974 279748898 /nfs/dbraw/zinc/74/88/98/279748898.db2.gz YJSGEKUHSMDAEX-WMLDXEAASA-N 2 0 288.435 2.671 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000353929832 279751116 /nfs/dbraw/zinc/75/11/16/279751116.db2.gz NHKOFYHFBZHXOT-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ncccc1CC ZINC000356839498 279761781 /nfs/dbraw/zinc/76/17/81/279761781.db2.gz IVKCEELZTSBYLO-HOCLYGCPSA-N 2 0 293.455 2.651 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000252202577 280010738 /nfs/dbraw/zinc/01/07/38/280010738.db2.gz WODGFCCVEIPTGR-LJISPDSOSA-N 2 0 250.430 2.885 20 0 CFADRP CCSCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121814044 280036752 /nfs/dbraw/zinc/03/67/52/280036752.db2.gz RSVNZVHVBHEVMC-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422822022 280051339 /nfs/dbraw/zinc/05/13/39/280051339.db2.gz ZNWSDCYFEMDGJP-FQUUOJAGSA-N 2 0 256.459 2.768 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000188674864 280144056 /nfs/dbraw/zinc/14/40/56/280144056.db2.gz NMZFYJXETICOCZ-BBWFWOEESA-N 2 0 280.456 2.534 20 0 CFADRP C[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000335007788 280154498 /nfs/dbraw/zinc/15/44/98/280154498.db2.gz JQCBAZIKONMVGV-HUUCEWRRSA-N 2 0 264.800 2.998 20 0 CFADRP Cc1[nH+]ccc(NC[C@@H](CC(C)C)[NH+](C)C)c1Cl ZINC000350291644 280185416 /nfs/dbraw/zinc/18/54/16/280185416.db2.gz WDNISLLWAYWIOR-GFCCVEGCSA-N 2 0 269.820 2.854 20 0 CFADRP CC(C)[C@H](C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1cccnc1 ZINC000415083685 280253247 /nfs/dbraw/zinc/25/32/47/280253247.db2.gz NLGSXYLEYYXFEG-INMHGKMJSA-N 2 0 275.440 2.799 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422728170 280254795 /nfs/dbraw/zinc/25/47/95/280254795.db2.gz IUEBVAMGLDLIQB-XMTFNYHQSA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccnc1 ZINC000247059855 280255924 /nfs/dbraw/zinc/25/59/24/280255924.db2.gz MNEZPEUEHRBEEZ-PVAVHDDUSA-N 2 0 275.440 2.894 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401001335 280266140 /nfs/dbraw/zinc/26/61/40/280266140.db2.gz BNYSYTOWLBNTNW-LJIZCISZSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000430699541 280329466 /nfs/dbraw/zinc/32/94/66/280329466.db2.gz PVZTVWASTPJMSS-LZLYRXPVSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423366879 280333253 /nfs/dbraw/zinc/33/32/53/280333253.db2.gz CJULXAIVTMSUKP-NFAWXSAZSA-N 2 0 265.376 2.777 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000071161388 280486390 /nfs/dbraw/zinc/48/63/90/280486390.db2.gz QTVLJTDWWKVKQH-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000126316419 280651695 /nfs/dbraw/zinc/65/16/95/280651695.db2.gz KTVRXEOFJSHCMF-INIZCTEOSA-N 2 0 274.408 2.832 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)[C@H]1CCOC1 ZINC000131317397 280715749 /nfs/dbraw/zinc/71/57/49/280715749.db2.gz SETSSNSVAHPALO-JYJNAYRXSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)nc1 ZINC000339499873 280826550 /nfs/dbraw/zinc/82/65/50/280826550.db2.gz JJZLJBYTNMXICI-UHFFFAOYSA-N 2 0 261.413 2.746 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(OC(C)C)c1 ZINC000422878634 280828140 /nfs/dbraw/zinc/82/81/40/280828140.db2.gz TZPPWAPGNIMVHL-KBPBESRZSA-N 2 0 264.413 2.998 20 0 CFADRP CC/C=C/CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000184593592 280828312 /nfs/dbraw/zinc/82/83/12/280828312.db2.gz MXGKJVXZBRPITA-ONEGZZNKSA-N 2 0 280.456 2.920 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@](C)(OC)C2(C)C)[C@H](C)C1 ZINC000247094225 281005711 /nfs/dbraw/zinc/00/57/11/281005711.db2.gz OHBDMNUHANHHIF-CTASWTNQSA-N 2 0 268.445 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOCc2ccccc2)[C@@H](C)C1 ZINC000247199447 281007364 /nfs/dbraw/zinc/00/73/64/281007364.db2.gz UWOOSOXUIJVNJT-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP CCCCC[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000248064169 281017708 /nfs/dbraw/zinc/01/77/08/281017708.db2.gz ZFPOJOGBUGDNFC-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(C)cs2)[C@@H](C)C1 ZINC000248120314 281018615 /nfs/dbraw/zinc/01/86/15/281018615.db2.gz DTDQTZICNFABST-WCQYABFASA-N 2 0 267.442 2.614 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000248485798 281023449 /nfs/dbraw/zinc/02/34/49/281023449.db2.gz KXDWNYXETCEEES-IKGGRYGDSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](NCC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248542661 281025252 /nfs/dbraw/zinc/02/52/52/281025252.db2.gz CDVIVYBDUKDZDT-YESZJQIVSA-N 2 0 293.499 2.713 20 0 CFADRP COc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1C ZINC000248993235 281044683 /nfs/dbraw/zinc/04/46/83/281044683.db2.gz ODKOZNFRFNOMMJ-GOEBONIOSA-N 2 0 276.424 2.918 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268796429 281117179 /nfs/dbraw/zinc/11/71/79/281117179.db2.gz ILSGXSVOMRUQCE-DZKIICNBSA-N 2 0 276.424 2.934 20 0 CFADRP CC[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423131810 281119138 /nfs/dbraw/zinc/11/91/38/281119138.db2.gz OLLPPHFIZGZPMH-WRQOLXDDSA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000398175935 281204078 /nfs/dbraw/zinc/20/40/78/281204078.db2.gz GIYSLIXXIHSRRI-SJLPKXTDSA-N 2 0 291.483 2.860 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420372004 281220095 /nfs/dbraw/zinc/22/00/95/281220095.db2.gz XKWJPMNXOVYHDV-ILXRZTDVSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H](C)C2)cc1 ZINC000420371670 281220343 /nfs/dbraw/zinc/22/03/43/281220343.db2.gz KWLMYARKQAEAIQ-HOCLYGCPSA-N 2 0 276.424 2.860 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422930140 281222401 /nfs/dbraw/zinc/22/24/01/281222401.db2.gz SIFGVCCCCACUOR-CVEARBPZSA-N 2 0 262.397 2.623 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422929419 281222468 /nfs/dbraw/zinc/22/24/68/281222468.db2.gz PYEUIXINFSUPKP-BZUAXINKSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]([NH2+]CCC12CC3CC(CC(C3)C1)C2)C1C[NH2+]C1 ZINC000422928663 281222521 /nfs/dbraw/zinc/22/25/21/281222521.db2.gz LWYMTCUCUABBHR-JISDDCRVSA-N 2 0 262.441 2.790 20 0 CFADRP CC1(C[NH2+]C2CCC(C[NH3+])CC2)Cc2ccccc2C1 ZINC000423010964 281223206 /nfs/dbraw/zinc/22/32/06/281223206.db2.gz ALSXBNDMTPCNOM-UHFFFAOYSA-N 2 0 272.436 2.899 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000423009592 281223213 /nfs/dbraw/zinc/22/32/13/281223213.db2.gz VWMQYKKXPYBFIR-CORIIIEPSA-N 2 0 250.386 2.639 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000423010649 281223355 /nfs/dbraw/zinc/22/33/55/281223355.db2.gz YEDBCDIXQRTDKU-JKSUJKDBSA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000423010646 281223400 /nfs/dbraw/zinc/22/34/00/281223400.db2.gz YEDBCDIXQRTDKU-CVEARBPZSA-N 2 0 269.477 2.602 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000423772725 281224803 /nfs/dbraw/zinc/22/48/03/281224803.db2.gz LKXCRPJCOHLLGH-JYJNAYRXSA-N 2 0 297.487 2.521 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000424371469 281227752 /nfs/dbraw/zinc/22/77/52/281227752.db2.gz FUKXGFXXIZEOAC-WKULXVSPSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424372931 281227800 /nfs/dbraw/zinc/22/78/00/281227800.db2.gz IWJOSVCYOWHRJT-KKBVYLPWSA-N 2 0 258.409 2.723 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCC3CCCC3)CC[C@@H]21 ZINC000459365098 281257239 /nfs/dbraw/zinc/25/72/39/281257239.db2.gz MEVVGPJPHKGEDL-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000514872169 281288500 /nfs/dbraw/zinc/28/85/00/281288500.db2.gz CEZNEDAGBHADLA-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000516082916 281299871 /nfs/dbraw/zinc/29/98/71/281299871.db2.gz HTIGWMKBMZEDQE-CQSZACIVSA-N 2 0 296.418 2.782 20 0 CFADRP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000527000187 281323472 /nfs/dbraw/zinc/32/34/72/281323472.db2.gz CAJOTUOUGMESEA-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000527042959 281325300 /nfs/dbraw/zinc/32/53/00/281325300.db2.gz OQMZVJHVWWSYIR-UHFFFAOYSA-N 2 0 268.351 2.581 20 0 CFADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C2CC2)cn1 ZINC000528851813 281354167 /nfs/dbraw/zinc/35/41/67/281354167.db2.gz MDDZKOBLZLMTBM-DOTOQJQBSA-N 2 0 289.423 2.615 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCCC1(C)C ZINC000544597404 281670728 /nfs/dbraw/zinc/67/07/28/281670728.db2.gz DXFFYMVXHYLNLR-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000546691669 281717410 /nfs/dbraw/zinc/71/74/10/281717410.db2.gz VMBOCGFVGLRJSO-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP Cn1ccnc1[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000559636474 282008841 /nfs/dbraw/zinc/00/88/41/282008841.db2.gz MUXKSOWSRXBBLU-MRXNPFEDSA-N 2 0 291.439 2.806 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000560582776 282035269 /nfs/dbraw/zinc/03/52/69/282035269.db2.gz HNHQXVOAPNFKBP-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000560596469 282035578 /nfs/dbraw/zinc/03/55/78/282035578.db2.gz NXHGCOONZWSFLZ-INIZCTEOSA-N 2 0 298.434 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000560596472 282035584 /nfs/dbraw/zinc/03/55/84/282035584.db2.gz NXHGCOONZWSFLZ-MRXNPFEDSA-N 2 0 298.434 2.694 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000560972218 282044498 /nfs/dbraw/zinc/04/44/98/282044498.db2.gz UAIJRTHKUXGLOL-DLBZAZTESA-N 2 0 296.418 2.554 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000560954335 282044608 /nfs/dbraw/zinc/04/46/08/282044608.db2.gz QPOILEOXUVWATM-QWHCGFSZSA-N 2 0 254.324 2.984 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000331391272 282046011 /nfs/dbraw/zinc/04/60/11/282046011.db2.gz QFIBYAIFSAIHLI-NTZNESFSSA-N 2 0 265.426 2.546 20 0 CFADRP Cn1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000421372438 282048592 /nfs/dbraw/zinc/04/85/92/282048592.db2.gz MOOGXAYSMUZADG-UHFFFAOYSA-N 2 0 292.471 2.680 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348952 533692202 /nfs/dbraw/zinc/69/22/02/533692202.db2.gz VITFDKVNLOUBMO-LBPRGKRZSA-N 2 0 250.411 2.579 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000421376892 289066358 /nfs/dbraw/zinc/06/63/58/289066358.db2.gz RDEWZWUKBJSLHF-MVKMKZAISA-N 2 0 294.361 2.559 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000334356150 289296959 /nfs/dbraw/zinc/29/69/59/289296959.db2.gz MKJLUYVWPTXGKU-HZPDHXFCSA-N 2 0 280.456 2.894 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348107857 289309451 /nfs/dbraw/zinc/30/94/51/289309451.db2.gz JDTIZQCZSQUNNG-LOWDOPEQSA-N 2 0 294.361 2.559 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000336844539 289464030 /nfs/dbraw/zinc/46/40/30/289464030.db2.gz ZWHRUXDWTZSMDZ-WBVHZDCISA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000474706338 289603737 /nfs/dbraw/zinc/60/37/37/289603737.db2.gz AJENJCUFMFDCCK-IKGGRYGDSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000414805248 289796623 /nfs/dbraw/zinc/79/66/23/289796623.db2.gz AIUPVYHLPDQLNF-DXEWXGHRSA-N 2 0 286.419 2.754 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)[C@@H](C)C1CCCCC1 ZINC000151840166 289832452 /nfs/dbraw/zinc/83/24/52/289832452.db2.gz NVHSJXALRPUECA-CVEARBPZSA-N 2 0 296.499 2.885 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000365060614 289877045 /nfs/dbraw/zinc/87/70/45/289877045.db2.gz HAPXFBYTBZKZIA-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)C1CCSCC1 ZINC000423467396 289967497 /nfs/dbraw/zinc/96/74/97/289967497.db2.gz IVACZXMWHQSZOA-SCRDCRAPSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc2ccccc2n1C ZINC000423538059 290024912 /nfs/dbraw/zinc/02/49/12/290024912.db2.gz FDBDVIZQJOLIJO-LJISPDSOSA-N 2 0 298.434 2.612 20 0 CFADRP [NH3+][C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000562955665 290085187 /nfs/dbraw/zinc/08/51/87/290085187.db2.gz GUQLBUCORVZFJU-ZJPYXAASSA-N 2 0 287.451 2.587 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]CC2CC[NH2+]CC2)C2CCCCC2)n1 ZINC000562956000 290085203 /nfs/dbraw/zinc/08/52/03/290085203.db2.gz RWLUYSATRFJSFW-HNNXBMFYSA-N 2 0 276.428 2.620 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(C(=O)OC)cc1 ZINC000562956057 290085357 /nfs/dbraw/zinc/08/53/57/290085357.db2.gz ATUPAAGYPFVSDN-INIZCTEOSA-N 2 0 292.423 2.902 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1 ZINC000562956633 290085909 /nfs/dbraw/zinc/08/59/09/290085909.db2.gz IDYWWQZSIDHBON-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)nc1 ZINC000563216314 290118964 /nfs/dbraw/zinc/11/89/64/290118964.db2.gz XESOGXPSXBULAA-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCC(C)C ZINC000563349853 290135733 /nfs/dbraw/zinc/13/57/33/290135733.db2.gz JBUQKWMDUJJAIQ-CVEARBPZSA-N 2 0 270.461 2.590 20 0 CFADRP [NH3+]CC12CCC(CC1)CN2CCCc1cccc(F)c1 ZINC000563420835 290147969 /nfs/dbraw/zinc/14/79/69/290147969.db2.gz ASORLDQEWRHLMT-UHFFFAOYSA-N 2 0 276.399 2.962 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000563452660 290153618 /nfs/dbraw/zinc/15/36/18/290153618.db2.gz VXXMTJYWKRDOOT-JSGCOSHPSA-N 2 0 252.427 2.972 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000563700734 290169511 /nfs/dbraw/zinc/16/95/11/290169511.db2.gz LZMPNQUFGKGEMH-HOCLYGCPSA-N 2 0 271.408 2.818 20 0 CFADRP COc1cncc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000563770494 290172989 /nfs/dbraw/zinc/17/29/89/290172989.db2.gz NCICTPZNDKNNBD-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)C12CCCCC2 ZINC000563804435 290175302 /nfs/dbraw/zinc/17/53/02/290175302.db2.gz GUTGWWUPKRPDMJ-HZPDHXFCSA-N 2 0 280.456 2.704 20 0 CFADRP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000563822176 290177008 /nfs/dbraw/zinc/17/70/08/290177008.db2.gz XLTDPYSGJJQBDG-ZWKOTPCHSA-N 2 0 292.467 2.848 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000563929076 290184335 /nfs/dbraw/zinc/18/43/35/290184335.db2.gz IWKURQROKCMXQN-WWDZGPRUSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@@H]2CCCC[C@@H]12 ZINC000564212286 290197552 /nfs/dbraw/zinc/19/75/52/290197552.db2.gz QTPDJNVDIIPZEX-FRRDWIJNSA-N 2 0 292.427 2.664 20 0 CFADRP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)[C@H]21 ZINC000564318648 290202579 /nfs/dbraw/zinc/20/25/79/290202579.db2.gz BUPLZKWFDLZUHN-OTWHNJEPSA-N 2 0 282.431 2.789 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@@H]2CCC[C@H]21 ZINC000353682563 290221001 /nfs/dbraw/zinc/22/10/01/290221001.db2.gz OHUMDAPDGQBBRD-AVEIZBFRSA-N 2 0 292.467 2.654 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000564713457 290225942 /nfs/dbraw/zinc/22/59/42/290225942.db2.gz LHZDPMRMSJAHTI-AAEUAGOBSA-N 2 0 265.426 2.628 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564823885 290236329 /nfs/dbraw/zinc/23/63/29/290236329.db2.gz MZCBUHQDYIQOPU-MHORFTMASA-N 3 0 295.515 2.865 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000564823343 290236388 /nfs/dbraw/zinc/23/63/88/290236388.db2.gz LHXHRTRRMDFUAY-AWEZNQCLSA-N 2 0 298.434 2.737 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000564824683 290237091 /nfs/dbraw/zinc/23/70/91/290237091.db2.gz NUVFBPZGUBSXMB-KGLIPLIRSA-N 2 0 264.413 2.827 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000564824516 290237451 /nfs/dbraw/zinc/23/74/51/290237451.db2.gz FSEPAPRGNLVWKX-KGLIPLIRSA-N 2 0 264.413 2.732 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000336335840 290251638 /nfs/dbraw/zinc/25/16/38/290251638.db2.gz JKSHQDFEONSBFW-IRXDYDNUSA-N 2 0 292.467 2.896 20 0 CFADRP CN(Cc1cccc(-c2ccncc2)c1)[C@H]1CC[NH2+]C1 ZINC000564968755 290253255 /nfs/dbraw/zinc/25/32/55/290253255.db2.gz BKRZXHZIXKFEMN-KRWDZBQOSA-N 2 0 267.376 2.542 20 0 CFADRP c1nc(C2CC2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564973654 290254153 /nfs/dbraw/zinc/25/41/53/290254153.db2.gz NNHQAZNYNTWSFY-ZIAGYGMSSA-N 2 0 291.464 2.842 20 0 CFADRP c1ccc2cc(CC[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000564986419 290255358 /nfs/dbraw/zinc/25/53/58/290255358.db2.gz OEEHMTVARBJJTI-RTBURBONSA-N 2 0 280.415 2.924 20 0 CFADRP C[C@H](c1cccnc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198026 290270585 /nfs/dbraw/zinc/27/05/85/290270585.db2.gz CSMSLBMIZRKXJQ-CJNGLKHVSA-N 2 0 259.397 2.607 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000565225239 290285118 /nfs/dbraw/zinc/28/51/18/290285118.db2.gz RNTDSWHCZHTUKQ-SOUVJXGZSA-N 2 0 262.397 2.622 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)C1 ZINC000565227217 290285546 /nfs/dbraw/zinc/28/55/46/290285546.db2.gz WJODPAAGSIUXOT-CABCVRRESA-N 2 0 289.423 2.763 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000565492146 290305819 /nfs/dbraw/zinc/30/58/19/290305819.db2.gz UBALHBAAKBYBLD-HUUCEWRRSA-N 2 0 292.471 2.576 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cn1 ZINC000565534050 290307497 /nfs/dbraw/zinc/30/74/97/290307497.db2.gz ZPDIEKSXGCEZLU-RCCFBDPRSA-N 2 0 287.451 2.833 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000566062625 290344068 /nfs/dbraw/zinc/34/40/68/290344068.db2.gz TWVSQAIWZBPANQ-MOQPWLNLSA-N 2 0 259.397 2.640 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cn1 ZINC000566089299 290346900 /nfs/dbraw/zinc/34/69/00/290346900.db2.gz UJQSGGAPQUGYHY-DNOWBOINSA-N 2 0 264.417 2.632 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000566091310 290347533 /nfs/dbraw/zinc/34/75/33/290347533.db2.gz WLQJVAZXWULRRJ-GDBMZVCRSA-N 2 0 289.423 2.620 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000566411156 290380349 /nfs/dbraw/zinc/38/03/49/290380349.db2.gz ACQQZQHIFNHSMF-ZFWWWQNUSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1ccc(F)cc1 ZINC000566411870 290380373 /nfs/dbraw/zinc/38/03/73/290380373.db2.gz MHAIMVJLFNCGLC-TYNCELHUSA-N 2 0 250.361 2.741 20 0 CFADRP Cc1c(Br)cccc1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000566482212 290393333 /nfs/dbraw/zinc/39/33/33/290393333.db2.gz MUBUNNLHNXHMOB-FZMZJTMJSA-N 2 0 297.240 2.988 20 0 CFADRP CCc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000566481764 290393384 /nfs/dbraw/zinc/39/33/84/290393384.db2.gz JWOBXWBMBJKQKJ-SQNIBIBYSA-N 2 0 289.467 2.711 20 0 CFADRP CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000566732258 290413357 /nfs/dbraw/zinc/41/33/57/290413357.db2.gz PZYFQIVSDDZAMU-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423518389 293090390 /nfs/dbraw/zinc/09/03/90/293090390.db2.gz CQJCVPAJCHBKQL-NFSPANSCSA-N 2 0 294.483 2.791 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000300099462 293096701 /nfs/dbraw/zinc/09/67/01/293096701.db2.gz LRUZHMSZOFSFOK-SOUVJXGZSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)n1 ZINC000423423048 293605122 /nfs/dbraw/zinc/60/51/22/293605122.db2.gz LSISWEDAFYDQQR-CQDKDKBSSA-N 2 0 276.428 2.509 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C12CCC2 ZINC000359973071 294037054 /nfs/dbraw/zinc/03/70/54/294037054.db2.gz IBUIGZYPBUGEEM-GTDBDLECSA-N 2 0 280.456 2.508 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422748492 294104785 /nfs/dbraw/zinc/10/47/85/294104785.db2.gz UTCRHEYOKCGSJD-ARFHVFGLSA-N 2 0 294.826 2.587 20 0 CFADRP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000155174868 294151962 /nfs/dbraw/zinc/15/19/62/294151962.db2.gz CZBFZVIJFMQQGY-ZBFHGGJFSA-N 2 0 268.445 2.652 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414828504 295122033 /nfs/dbraw/zinc/12/20/33/295122033.db2.gz ZZQLWUCLVAVPSD-ZMSDIMECSA-N 2 0 290.451 2.994 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000414874186 295209754 /nfs/dbraw/zinc/20/97/54/295209754.db2.gz ILZOIOMAAMVENS-UWVGGRQHSA-N 2 0 250.308 2.579 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000420307070 295211956 /nfs/dbraw/zinc/21/19/56/295211956.db2.gz QXCRQXWTFDLJNC-HIFRSBDPSA-N 2 0 276.424 2.858 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000333223643 295212383 /nfs/dbraw/zinc/21/23/83/295212383.db2.gz AMPQWTRTKPJENB-NRXISQOPSA-N 2 0 276.428 2.891 20 0 CFADRP [NH3+]CCOCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000357071203 295235098 /nfs/dbraw/zinc/23/50/98/295235098.db2.gz BTGJOHCSKYQGJN-UHFFFAOYSA-N 2 0 298.377 2.685 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414813049 295248985 /nfs/dbraw/zinc/24/89/85/295248985.db2.gz YCWVOMKBYLWIGG-MAZHCROVSA-N 2 0 278.827 2.914 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000423488506 295258653 /nfs/dbraw/zinc/25/86/53/295258653.db2.gz DSKWDQLJLWFTCT-UMVBOHGHSA-N 2 0 260.381 2.617 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422997455 295289069 /nfs/dbraw/zinc/28/90/69/295289069.db2.gz BFYUQZUJVOYTJE-RHSMWYFYSA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422803879 295296542 /nfs/dbraw/zinc/29/65/42/295296542.db2.gz DIOSIGDFAPWXCS-CVEARBPZSA-N 2 0 258.409 2.968 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000335043070 295324088 /nfs/dbraw/zinc/32/40/88/295324088.db2.gz MLHQOQPLVFMDLL-QZTJIDSGSA-N 2 0 285.435 2.738 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)c2ccccc21 ZINC000423113252 295324533 /nfs/dbraw/zinc/32/45/33/295324533.db2.gz KRPVDNYVYFWSJU-AAVRWANBSA-N 2 0 282.334 2.881 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414689216 295359192 /nfs/dbraw/zinc/35/91/92/295359192.db2.gz FOJMCYXECFUIID-HUUCEWRRSA-N 2 0 276.424 2.558 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423160328 295588917 /nfs/dbraw/zinc/58/89/17/295588917.db2.gz QKQUBLDYIJFKJT-VXGQWTEUSA-N 2 0 270.486 2.886 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422699556 298398188 /nfs/dbraw/zinc/39/81/88/298398188.db2.gz DPVAQEFOMVHFRC-OAHLLOKOSA-N 2 0 289.467 2.540 20 0 CFADRP Cc1cc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C2CC2)ccc1F ZINC000423017576 301409492 /nfs/dbraw/zinc/40/94/92/301409492.db2.gz WQXFDSYIAUHWHM-BZNIZROVSA-N 2 0 262.372 2.783 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400955638 302102013 /nfs/dbraw/zinc/10/20/13/302102013.db2.gz JJMPNGCYGUDWTG-XOYOTBSWSA-N 2 0 272.436 2.904 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422749088 528913714 /nfs/dbraw/zinc/91/37/14/528913714.db2.gz XMLGVWDYGSICEJ-BYNSBNAKSA-N 2 0 256.434 2.545 20 0 CFADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415058849 302886970 /nfs/dbraw/zinc/88/69/70/302886970.db2.gz ITJDCLCESDSRKG-OWYFMNJBSA-N 2 0 276.811 2.784 20 0 CFADRP Fc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262307162 303130752 /nfs/dbraw/zinc/13/07/52/303130752.db2.gz YITVXOGXRMDCKM-INIZCTEOSA-N 2 0 262.372 2.962 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423239215 303133576 /nfs/dbraw/zinc/13/35/76/303133576.db2.gz AZMWWFVYKOJPSW-IUODEOHRSA-N 2 0 278.371 2.629 20 0 CFADRP Fc1cncc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000423556230 303137677 /nfs/dbraw/zinc/13/76/77/303137677.db2.gz YQGKQEQGIDYPGD-NSNWQYSKSA-N 2 0 289.398 2.650 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423178335 303379473 /nfs/dbraw/zinc/37/94/73/303379473.db2.gz BUZVOAAVACMUIT-CYBMUJFWSA-N 2 0 283.213 2.765 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422843013 303408391 /nfs/dbraw/zinc/40/83/91/303408391.db2.gz GRYOALXWJOSZOG-XJKSGUPXSA-N 2 0 276.399 2.964 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256847 304858007 /nfs/dbraw/zinc/85/80/07/304858007.db2.gz GHWHNXQOJHDIIQ-PBHICJAKSA-N 2 0 273.424 2.913 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000422985687 304858926 /nfs/dbraw/zinc/85/89/26/304858926.db2.gz FUMQXEZREJHNRM-QILLFSRXSA-N 2 0 284.403 2.941 20 0 CFADRP C[C@@H](CN[C@@H](C)c1cscn1)C[NH+]1CCCC1 ZINC000162371067 322363717 /nfs/dbraw/zinc/36/37/17/322363717.db2.gz HBMGWBJPXLDDPV-RYUDHWBXSA-N 2 0 253.415 2.526 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2F)[C@H](C)C1 ZINC000162980643 322371184 /nfs/dbraw/zinc/37/11/84/322371184.db2.gz AAKBWKMEMKPBQT-MLGOLLRUSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164624764 322383519 /nfs/dbraw/zinc/38/35/19/322383519.db2.gz GJBUDULUTJGJLP-SQNIBIBYSA-N 3 0 295.515 2.961 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000164864799 322383942 /nfs/dbraw/zinc/38/39/42/322383942.db2.gz NYHKZTLEGNIUIS-GVDBMIGSSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000569330404 322465018 /nfs/dbraw/zinc/46/50/18/322465018.db2.gz XMNYYAFFQGPUIV-WMLDXEAASA-N 2 0 276.424 2.829 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000569378508 322469669 /nfs/dbraw/zinc/46/96/69/322469669.db2.gz TWJSOFZVKWWDRD-TWMKSMIVSA-N 2 0 274.408 2.766 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000569823761 322499108 /nfs/dbraw/zinc/49/91/08/322499108.db2.gz ACPHFDYJUOXPKQ-YYIAUSFCSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000570315419 322526041 /nfs/dbraw/zinc/52/60/41/322526041.db2.gz OOHZEFYRYOXWKH-ZIAGYGMSSA-N 2 0 289.423 2.560 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000571623003 322589884 /nfs/dbraw/zinc/58/98/84/322589884.db2.gz PUENTARRYZBQLI-OAHLLOKOSA-N 2 0 276.424 2.955 20 0 CFADRP C[C@H](CCN(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000572205316 322610812 /nfs/dbraw/zinc/61/08/12/322610812.db2.gz CIWLYEMPQWMCRY-QGZVFWFLSA-N 2 0 291.483 2.605 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000572243023 322612070 /nfs/dbraw/zinc/61/20/70/322612070.db2.gz HNKLIJZMQSPVJB-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000572483735 322620464 /nfs/dbraw/zinc/62/04/64/322620464.db2.gz PPNIPGGUVHFMGV-DRZSPHRISA-N 2 0 265.376 2.780 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000574054420 322679526 /nfs/dbraw/zinc/67/95/26/322679526.db2.gz PJVZKDVHJFLLLU-PWSUYJOCSA-N 2 0 265.426 2.628 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)C(C)C)cc1 ZINC000574440809 322692767 /nfs/dbraw/zinc/69/27/67/322692767.db2.gz BOGBFDBGHBKYLC-KRWDZBQOSA-N 2 0 276.424 2.982 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(Cl)c1OC ZINC000574571890 322697517 /nfs/dbraw/zinc/69/75/17/322697517.db2.gz BMQHVKMKLJTECZ-UWVGGRQHSA-N 2 0 286.803 2.573 20 0 CFADRP COC[C@H](C)C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000187672256 323999558 /nfs/dbraw/zinc/99/95/58/323999558.db2.gz DOTUSZVJJTYAHN-HRCADAONSA-N 2 0 270.461 2.617 20 0 CFADRP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000188247374 324011012 /nfs/dbraw/zinc/01/10/12/324011012.db2.gz QZPQYDKKBYJYKD-HNNXBMFYSA-N 2 0 278.440 2.899 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)COC)CC1 ZINC000189658468 324032041 /nfs/dbraw/zinc/03/20/41/324032041.db2.gz ZPSNOFYKYYQVOM-OAHLLOKOSA-N 2 0 270.461 2.713 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191951155 324056286 /nfs/dbraw/zinc/05/62/86/324056286.db2.gz FNWRPESUCQOSGH-SJORKVTESA-N 2 0 276.424 2.838 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192937092 324067242 /nfs/dbraw/zinc/06/72/42/324067242.db2.gz LJNYKMQSZBINST-HNNXBMFYSA-N 2 0 292.471 2.829 20 0 CFADRP C[N@@H+]1CCC[C@@H](CNCc2cnc(-c3ccco3)s2)C1 ZINC000193095696 324068927 /nfs/dbraw/zinc/06/89/27/324068927.db2.gz OMSGDEOGUBLPIE-LBPRGKRZSA-N 2 0 291.420 2.835 20 0 CFADRP CC/C=C\CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000342247625 324126499 /nfs/dbraw/zinc/12/64/99/324126499.db2.gz LLYCKAKKYNOPIX-SPCWZHTESA-N 2 0 293.499 2.833 20 0 CFADRP COCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000345164020 324134411 /nfs/dbraw/zinc/13/44/11/324134411.db2.gz WIQGYJGOCFUDQD-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2csc(C)n2)[C@@H](C)C1 ZINC000348260944 324142665 /nfs/dbraw/zinc/14/26/65/324142665.db2.gz FKULHJZWZHHEOX-SWLSCSKDSA-N 2 0 281.469 2.656 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000389929465 324521680 /nfs/dbraw/zinc/52/16/80/324521680.db2.gz YYGIIOZGVHWZHB-PVAVHDDUSA-N 2 0 276.424 2.841 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000576030248 324568895 /nfs/dbraw/zinc/56/88/95/324568895.db2.gz SGCBUDPUFYXFSH-GJZGRUSLSA-N 2 0 272.477 2.740 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576172552 324586698 /nfs/dbraw/zinc/58/66/98/324586698.db2.gz PSRQEDOAUGREOG-GJZGRUSLSA-N 2 0 261.413 2.738 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000576458164 324618536 /nfs/dbraw/zinc/61/85/36/324618536.db2.gz LGXNDIZJZNVKLF-MRXNPFEDSA-N 2 0 259.397 2.523 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)n1 ZINC000577124159 324699666 /nfs/dbraw/zinc/69/96/66/324699666.db2.gz IHMYHAPSJQUKJB-CVEARBPZSA-N 2 0 278.444 2.741 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000578143208 324821135 /nfs/dbraw/zinc/82/11/35/324821135.db2.gz GALBGXIHVCNIEX-JFILPPLUSA-N 2 0 280.387 2.761 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000578846538 324894690 /nfs/dbraw/zinc/89/46/90/324894690.db2.gz HEQFIWKQVXZVCD-VQHPVUNQSA-N 3 0 281.488 2.652 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000580037765 325001053 /nfs/dbraw/zinc/00/10/53/325001053.db2.gz LHXOJYMYYQIYEQ-AWEZNQCLSA-N 2 0 293.455 2.936 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000580074333 325003988 /nfs/dbraw/zinc/00/39/88/325003988.db2.gz OWOKMZYIJRGLKI-QWRGUYRKSA-N 2 0 285.229 2.973 20 0 CFADRP CN(CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000580068606 325004049 /nfs/dbraw/zinc/00/40/49/325004049.db2.gz OHDZVQXXMBHYFB-KRWDZBQOSA-N 2 0 289.467 2.929 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000580324599 325026019 /nfs/dbraw/zinc/02/60/19/325026019.db2.gz BFDFEZFVZZVZLF-OAHLLOKOSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000580326740 325026526 /nfs/dbraw/zinc/02/65/26/325026526.db2.gz YKFUARPOEDBMIZ-NEPJUHHUSA-N 2 0 262.397 2.616 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000580333079 325027947 /nfs/dbraw/zinc/02/79/47/325027947.db2.gz MUICIULHENCZRE-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000580372514 325030119 /nfs/dbraw/zinc/03/01/19/325030119.db2.gz UHAQMERUCWKCPA-ZWKOTPCHSA-N 2 0 272.436 2.864 20 0 CFADRP Cc1cccnc1CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000580695231 325056440 /nfs/dbraw/zinc/05/64/40/325056440.db2.gz DPURTMSQSFWARM-UHFFFAOYSA-N 2 0 287.451 2.787 20 0 CFADRP F[C@]1(c2ccccc2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000580774079 325062851 /nfs/dbraw/zinc/06/28/51/325062851.db2.gz MCHNTTMXJSQEJN-MRXNPFEDSA-N 2 0 262.372 2.557 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000581011836 325082595 /nfs/dbraw/zinc/08/25/95/325082595.db2.gz KVCUAJYIJNUXRR-LVQVYYBASA-N 2 0 250.430 2.744 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581012572 325082879 /nfs/dbraw/zinc/08/28/79/325082879.db2.gz YZEADQQSXZCRBM-GOSISDBHSA-N 2 0 288.435 2.839 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000581125844 325092541 /nfs/dbraw/zinc/09/25/41/325092541.db2.gz OMQCYMYOMFBIMR-OLZOCXBDSA-N 2 0 293.480 2.814 20 0 CFADRP F[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000581131670 325093888 /nfs/dbraw/zinc/09/38/88/325093888.db2.gz YLHNNWUMCYZHFF-UKRRQHHQSA-N 2 0 254.393 2.731 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000581200975 325100207 /nfs/dbraw/zinc/10/02/07/325100207.db2.gz WKEWRAAIQNOVDV-KGLIPLIRSA-N 2 0 250.361 2.536 20 0 CFADRP Cc1nc(C2([NH2+]C[C@H]3CC[NH2+][C@H](C)C3)CCCCC2)no1 ZINC000581238624 325102779 /nfs/dbraw/zinc/10/27/79/325102779.db2.gz YHUCVNHTVLDRMF-OCCSQVGLSA-N 2 0 292.427 2.515 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000581238764 325103136 /nfs/dbraw/zinc/10/31/36/325103136.db2.gz RFPLDGIMFMQTJB-HNNXBMFYSA-N 2 0 286.419 2.782 20 0 CFADRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000581256111 325105507 /nfs/dbraw/zinc/10/55/07/325105507.db2.gz VUGCCWPICCAHKR-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000581363984 325114315 /nfs/dbraw/zinc/11/43/15/325114315.db2.gz DFWASXSMYGUTND-LBPRGKRZSA-N 2 0 254.805 2.860 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2(O)CCC(C)CC2)C1 ZINC000581365320 325114411 /nfs/dbraw/zinc/11/44/11/325114411.db2.gz MZTPQKKIBQKOOY-AQFXKWCLSA-N 2 0 282.472 2.638 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000581476158 325124999 /nfs/dbraw/zinc/12/49/99/325124999.db2.gz CVVIFAJFHKZETR-AAEUAGOBSA-N 2 0 290.436 2.745 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000581615380 325136923 /nfs/dbraw/zinc/13/69/23/325136923.db2.gz FJULOZLYZYGBIB-OAHLLOKOSA-N 2 0 287.382 2.981 20 0 CFADRP c1ccc([C@@H]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000581878487 325155829 /nfs/dbraw/zinc/15/58/29/325155829.db2.gz JBIRBYJZXLTAKB-SJORKVTESA-N 2 0 258.409 2.912 20 0 CFADRP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])CC2 ZINC000582600336 325217916 /nfs/dbraw/zinc/21/79/16/325217916.db2.gz STWUIALPFRMYPW-PMPSAXMXSA-N 2 0 290.455 2.571 20 0 CFADRP CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000582952058 325248000 /nfs/dbraw/zinc/24/80/00/325248000.db2.gz IKDUWWHPLWCOFL-NWDGAFQWSA-N 2 0 252.427 2.788 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000583020108 325252861 /nfs/dbraw/zinc/25/28/61/325252861.db2.gz NDWBSFMUNPWYOI-HOTGVXAUSA-N 2 0 290.451 2.922 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000583440722 325287745 /nfs/dbraw/zinc/28/77/45/325287745.db2.gz SIRPEIRIYJQEIY-DOTOQJQBSA-N 2 0 260.425 2.968 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CCCC1CCCCC1 ZINC000583591619 325298658 /nfs/dbraw/zinc/29/86/58/325298658.db2.gz XYUWQOCQUXVEBP-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000583732843 325306649 /nfs/dbraw/zinc/30/66/49/325306649.db2.gz JHARCFZJLGBRGW-INIZCTEOSA-N 2 0 276.424 2.577 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000583823379 325313522 /nfs/dbraw/zinc/31/35/22/325313522.db2.gz VKQHQZCWHKZJQZ-QZTJIDSGSA-N 3 0 289.467 2.888 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000583823378 325313725 /nfs/dbraw/zinc/31/37/25/325313725.db2.gz VKQHQZCWHKZJQZ-MSOLQXFVSA-N 3 0 289.467 2.888 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC[NH2+]C(C)C)C1(C)C ZINC000584225990 325338874 /nfs/dbraw/zinc/33/88/74/325338874.db2.gz VTUUVBUTNVQKHY-LSDHHAIUSA-N 2 0 270.461 2.804 20 0 CFADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1cc2c(s1)CCCC2 ZINC000584285568 325343458 /nfs/dbraw/zinc/34/34/58/325343458.db2.gz KJJWSFBPKAUVIZ-FZMZJTMJSA-N 2 0 264.438 2.715 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584295167 325344423 /nfs/dbraw/zinc/34/44/23/325344423.db2.gz SWESMEAWRGVJHC-KBPBESRZSA-N 2 0 292.398 2.656 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000584295169 325344618 /nfs/dbraw/zinc/34/46/18/325344618.db2.gz SWESMEAWRGVJHC-UONOGXRCSA-N 2 0 292.398 2.656 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000035647742 330248116 /nfs/dbraw/zinc/24/81/16/330248116.db2.gz KBLRMGUVIIVYLA-CQSZACIVSA-N 2 0 278.440 2.804 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CCOC[C@H]1C)C(C)C ZINC000192613543 519644339 /nfs/dbraw/zinc/64/43/39/519644339.db2.gz FPUSKEKMDTYBOP-CABCVRRESA-N 2 0 256.434 2.510 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192465941 521618551 /nfs/dbraw/zinc/61/85/51/521618551.db2.gz YFDPFYNGEOMFMB-UAGQMJEPSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422717434 533734251 /nfs/dbraw/zinc/73/42/51/533734251.db2.gz OMBPZVWAGOZUAM-ZIAGYGMSSA-N 2 0 260.425 2.940 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000414346441 533755316 /nfs/dbraw/zinc/75/53/16/533755316.db2.gz VFCWVSXUGVXPMQ-VUNQQRPYSA-N 2 0 288.435 2.871 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423181664 533756141 /nfs/dbraw/zinc/75/61/41/533756141.db2.gz LIUFFMGEPALVKE-LAQRGFTBSA-N 2 0 288.435 2.906 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1Cl ZINC000423140164 533770394 /nfs/dbraw/zinc/77/03/94/533770394.db2.gz XOUPODCZMJUTPX-ZFWWWQNUSA-N 2 0 296.842 2.998 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423299934 533771593 /nfs/dbraw/zinc/77/15/93/533771593.db2.gz QOBRFIVHIBLQQZ-YUMQZZPRSA-N 2 0 277.231 2.756 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825226 533780356 /nfs/dbraw/zinc/78/03/56/533780356.db2.gz CASYVHMUQQPFJK-GFCCVEGCSA-N 2 0 252.789 2.738 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422725361 533786272 /nfs/dbraw/zinc/78/62/72/533786272.db2.gz BEHBRKGQXNMEEC-IMJJTQAJSA-N 2 0 275.440 2.585 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)c1OC ZINC000423272281 533795629 /nfs/dbraw/zinc/79/56/29/533795629.db2.gz JVXJXHAVOJNJIY-SWLSCSKDSA-N 2 0 294.439 2.516 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1C ZINC000414780235 533806288 /nfs/dbraw/zinc/80/62/88/533806288.db2.gz LCPJKJAWMIECCK-IRXDYDNUSA-N 2 0 288.435 2.825 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000422963475 533807676 /nfs/dbraw/zinc/80/76/76/533807676.db2.gz FXUGKZJFHBMKEY-FCCDEINASA-N 3 0 293.499 2.760 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422741725 533811526 /nfs/dbraw/zinc/81/15/26/533811526.db2.gz QGGSBUSMXCNYFK-MAUKXSAKSA-N 2 0 287.451 2.776 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1OCCc2sccc21 ZINC000423131013 533813637 /nfs/dbraw/zinc/81/36/37/533813637.db2.gz NFZMMZPUHGCHJQ-KBOPCFALSA-N 2 0 292.448 2.623 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000310779414 533840715 /nfs/dbraw/zinc/84/07/15/533840715.db2.gz FFRKKIPPPYAJRH-QXSJWSMHSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781794 533845967 /nfs/dbraw/zinc/84/59/67/533845967.db2.gz JHIMMVNXEXOFBL-MRXNPFEDSA-N 3 0 289.467 2.890 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423142619 533846655 /nfs/dbraw/zinc/84/66/55/533846655.db2.gz AUTYINGLQJMQRC-CHWSQXEVSA-N 2 0 264.438 2.983 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423168683 533850434 /nfs/dbraw/zinc/85/04/34/533850434.db2.gz HVOSAXFHVXOORR-CABCVRRESA-N 2 0 263.429 2.900 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000422747589 533853011 /nfs/dbraw/zinc/85/30/11/533853011.db2.gz QONPAWNFODJYRA-CVEARBPZSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2F)C1 ZINC000423128192 533853068 /nfs/dbraw/zinc/85/30/68/533853068.db2.gz KPYJFBCQAHSLEZ-KGLIPLIRSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000423107876 533853114 /nfs/dbraw/zinc/85/31/14/533853114.db2.gz LKNDEPMQIZQRHN-VXGBXAGGSA-N 2 0 260.385 2.731 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C2CC2)c1 ZINC000423175757 533850107 /nfs/dbraw/zinc/85/01/07/533850107.db2.gz BCBXZDDQWLZYSP-HNNXBMFYSA-N 2 0 287.451 2.510 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@H]1CCC[NH2+]1 ZINC000422833370 533868116 /nfs/dbraw/zinc/86/81/16/533868116.db2.gz GOSQZMKLUQVJEW-XHDPSFHLSA-N 2 0 275.371 2.580 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]1 ZINC000422768064 533868154 /nfs/dbraw/zinc/86/81/54/533868154.db2.gz UCPIJCUNYCVQCS-NHYWBVRUSA-N 2 0 275.371 2.580 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000423152001 533868255 /nfs/dbraw/zinc/86/82/55/533868255.db2.gz FAABSCQEHZWSJB-GFCCVEGCSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422970347 533871343 /nfs/dbraw/zinc/87/13/43/533871343.db2.gz GEPLXLPQRINIIA-OAHLLOKOSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000415016557 533872244 /nfs/dbraw/zinc/87/22/44/533872244.db2.gz CVDRJJHEPWRZHB-OLZOCXBDSA-N 2 0 252.377 2.864 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422951085 533873549 /nfs/dbraw/zinc/87/35/49/533873549.db2.gz XKWGIQSCBJGYSR-SJKOYZFVSA-N 2 0 290.407 2.626 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CSc2ccccc21 ZINC000423144703 533869962 /nfs/dbraw/zinc/86/99/62/533869962.db2.gz HSBKBAMTWMEIKI-NEPJUHHUSA-N 2 0 250.411 2.593 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423144310 533870054 /nfs/dbraw/zinc/87/00/54/533870054.db2.gz GRWQQULANKHRPL-LLVKDONJSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000415024239 533870106 /nfs/dbraw/zinc/87/01/06/533870106.db2.gz OLZXRGIWNAQPKR-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414745086 533876656 /nfs/dbraw/zinc/87/66/56/533876656.db2.gz OWZRVGATLWNYKD-ZIAGYGMSSA-N 2 0 264.388 2.954 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000414836971 533880635 /nfs/dbraw/zinc/88/06/35/533880635.db2.gz VFWOJKXLABKAJS-CYBMUJFWSA-N 2 0 280.437 2.506 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423203660 533881970 /nfs/dbraw/zinc/88/19/70/533881970.db2.gz CTDZRYMQVCHQMD-NWDGAFQWSA-N 2 0 275.421 2.947 20 0 CFADRP C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422728599 533891797 /nfs/dbraw/zinc/89/17/97/533891797.db2.gz AIQUQJVDSBQIQE-YYIAUSFCSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414857847 533914037 /nfs/dbraw/zinc/91/40/37/533914037.db2.gz QHXUVSBUKVWSPE-WCQYABFASA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC000414852391 533910979 /nfs/dbraw/zinc/91/09/79/533910979.db2.gz JYLMBWRFPBMYDG-GXTWGEPZSA-N 2 0 258.365 2.911 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cnn1C(C)C ZINC000423262260 533944362 /nfs/dbraw/zinc/94/43/62/533944362.db2.gz URTJUTFWTNYCHJ-HIFRSBDPSA-N 2 0 278.444 2.813 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903789 533949960 /nfs/dbraw/zinc/94/99/60/533949960.db2.gz MESACMRTLNRXDO-FNORWQNLSA-N 2 0 274.408 2.688 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823110 533958440 /nfs/dbraw/zinc/95/84/40/533958440.db2.gz AYNOOWTURDKXBG-CSVMTYNTSA-N 2 0 274.408 2.686 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423325080 533981803 /nfs/dbraw/zinc/98/18/03/533981803.db2.gz PYZJJTRCOCOROI-BMIGLBTASA-N 2 0 268.351 2.613 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000422992608 533981833 /nfs/dbraw/zinc/98/18/33/533981833.db2.gz RPDBTTIDQMYDBQ-HPBDAGMYSA-N 2 0 288.435 2.712 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCC[NH3+] ZINC000423324018 533982639 /nfs/dbraw/zinc/98/26/39/533982639.db2.gz JYDJRKCYSAKVQK-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414950339 533990139 /nfs/dbraw/zinc/99/01/39/533990139.db2.gz OLMCRSWYGURBPV-HLLBOEOZSA-N 2 0 260.425 2.985 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000425365238 533990452 /nfs/dbraw/zinc/99/04/52/533990452.db2.gz YAHBLTQDJLDJBO-HZSPNIEDSA-N 2 0 256.459 2.590 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422843404 534001345 /nfs/dbraw/zinc/00/13/45/534001345.db2.gz IDJBJEWWLXRLAL-ZBFHGGJFSA-N 2 0 288.435 2.834 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000425362611 534003305 /nfs/dbraw/zinc/00/33/05/534003305.db2.gz VKGINFREYVJXHX-HZPDHXFCSA-N 2 0 294.464 2.611 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000425339626 534003804 /nfs/dbraw/zinc/00/38/04/534003804.db2.gz CVXHSOWLWKJGLT-GDBMZVCRSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414885742 534047832 /nfs/dbraw/zinc/04/78/32/534047832.db2.gz XJFSSKSVEBESAN-SNVBAGLBSA-N 2 0 263.772 2.573 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000414885367 534048484 /nfs/dbraw/zinc/04/84/84/534048484.db2.gz WVBCUNJTANFNFL-MRVPVSSYSA-N 2 0 291.620 2.787 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414873307 534048750 /nfs/dbraw/zinc/04/87/50/534048750.db2.gz GZDDEXVNCTUZDE-MRVPVSSYSA-N 2 0 264.266 2.529 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccs1 ZINC000422786558 534054202 /nfs/dbraw/zinc/05/42/02/534054202.db2.gz SNOIMTXCBXJVCK-HABKJSAYSA-N 2 0 264.438 2.799 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)CC(F)(F)F ZINC000423183551 534055379 /nfs/dbraw/zinc/05/53/79/534055379.db2.gz MOQIUYAUUUTXSH-KPPDAEKUSA-N 2 0 252.324 2.682 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423248594 534064688 /nfs/dbraw/zinc/06/46/88/534064688.db2.gz NNEPNHPJGLQZJJ-HSMVNMDESA-N 2 0 262.372 2.648 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000423152149 534070900 /nfs/dbraw/zinc/07/09/00/534070900.db2.gz DQYZNUSZXCRAFL-PWSUYJOCSA-N 2 0 287.329 2.578 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000414681247 534079404 /nfs/dbraw/zinc/07/94/04/534079404.db2.gz VPDMCVVITVFKOK-AAEUAGOBSA-N 2 0 268.351 2.785 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1F ZINC000414852450 534087573 /nfs/dbraw/zinc/08/75/73/534087573.db2.gz JZKDNPXAMCGNOY-TZMCWYRMSA-N 2 0 250.361 2.612 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414899087 534103752 /nfs/dbraw/zinc/10/37/52/534103752.db2.gz CDWIOAIHFHHRJP-RHSMWYFYSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825028 534105921 /nfs/dbraw/zinc/10/59/21/534105921.db2.gz GORWZAWRCXWDKT-WMOVPWTDSA-N 2 0 299.462 2.695 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422761160 534105829 /nfs/dbraw/zinc/10/58/29/534105829.db2.gz HIMGCXVJSDSNBL-KBPBESRZSA-N 2 0 266.454 2.944 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+][C@H](C)CCC[NH3+])C(C)C ZINC000422825868 534107510 /nfs/dbraw/zinc/10/75/10/534107510.db2.gz QCVVATXFZLPCTA-GDBMZVCRSA-N 2 0 278.440 2.979 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000425337913 534115584 /nfs/dbraw/zinc/11/55/84/534115584.db2.gz ALXFWWMGCHNCMB-KGLIPLIRSA-N 2 0 258.475 2.979 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000425365872 534117647 /nfs/dbraw/zinc/11/76/47/534117647.db2.gz YUMKBAFZHJHAAK-CABCVRRESA-N 2 0 282.428 2.871 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423324378 534130927 /nfs/dbraw/zinc/13/09/27/534130927.db2.gz PGMXVFXNRFTKAS-DLBZAZTESA-N 2 0 260.425 2.889 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000423263037 534132345 /nfs/dbraw/zinc/13/23/45/534132345.db2.gz ALXIOVZDJJSLRO-DLBZAZTESA-N 2 0 260.425 2.889 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825027 534134762 /nfs/dbraw/zinc/13/47/62/534134762.db2.gz GORWZAWRCXWDKT-QWGOTZQWSA-N 2 0 299.462 2.695 20 0 CFADRP C[C@H]([NH3+])CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423223690 534174709 /nfs/dbraw/zinc/17/47/09/534174709.db2.gz HDYRBVUJQVHDNL-AWEZNQCLSA-N 2 0 283.504 2.993 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1F ZINC000422768308 534180063 /nfs/dbraw/zinc/18/00/63/534180063.db2.gz SAEMLDQFHMVYKC-KBXCAEBGSA-N 2 0 286.394 2.916 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415087530 534202477 /nfs/dbraw/zinc/20/24/77/534202477.db2.gz UVYHKUKGLHNZMZ-YJBOKZPZSA-N 2 0 298.434 2.552 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414913852 534253463 /nfs/dbraw/zinc/25/34/63/534253463.db2.gz XELROFWJLNPODJ-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000337376094 518071939 /nfs/dbraw/zinc/07/19/39/518071939.db2.gz AKIFVNCWORPGFS-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP Cc1noc(C)c1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000164843799 534340732 /nfs/dbraw/zinc/34/07/32/534340732.db2.gz BVOAVVVUVQKBJB-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360253625 518935175 /nfs/dbraw/zinc/93/51/75/518935175.db2.gz ZQZFIBZYAKAPLX-OAGGEKHMSA-N 2 0 282.472 2.638 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422987902 534406748 /nfs/dbraw/zinc/40/67/48/534406748.db2.gz HSFQQKPDULXVET-MDMSPXHWSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000227915404 519211960 /nfs/dbraw/zinc/21/19/60/519211960.db2.gz CUFQFEZQYNMAFS-OWCLPIDISA-N 2 0 282.472 2.686 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000414826286 534420079 /nfs/dbraw/zinc/42/00/79/534420079.db2.gz FIZMMRANSBHYSJ-SECBINFHSA-N 2 0 278.343 2.856 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000155812271 519643957 /nfs/dbraw/zinc/64/39/57/519643957.db2.gz UJOMFRDDOGKCFY-HZPDHXFCSA-N 2 0 269.477 2.568 20 0 CFADRP CC(C)[NH+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)C(C)C ZINC000157233955 519648710 /nfs/dbraw/zinc/64/87/10/519648710.db2.gz HEKOLAHGQNPKMO-IRXDYDNUSA-N 2 0 275.440 2.840 20 0 CFADRP CC(C)CC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000361289463 519684000 /nfs/dbraw/zinc/68/40/00/519684000.db2.gz SGHNWZZSXVULNI-HZPDHXFCSA-N 2 0 270.461 2.590 20 0 CFADRP CC(C)CC[C@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000361316588 519693309 /nfs/dbraw/zinc/69/33/09/519693309.db2.gz RKRLXCMBVNHJLW-KRWDZBQOSA-N 2 0 284.488 2.837 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000066152413 519764330 /nfs/dbraw/zinc/76/43/30/519764330.db2.gz RSCYANDHWNIJMM-INIZCTEOSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305167662 519793005 /nfs/dbraw/zinc/79/30/05/519793005.db2.gz SURVKOOLBVYCPN-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC12CCCC2)N1CC[NH+](C)CC1 ZINC000189058684 519816034 /nfs/dbraw/zinc/81/60/34/519816034.db2.gz PKSGMUJXOBJSPD-DLBZAZTESA-N 2 0 293.499 2.571 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000068626662 519816171 /nfs/dbraw/zinc/81/61/71/519816171.db2.gz ODYJOOGDDXABCC-BDXSIMOUSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000070346231 519827215 /nfs/dbraw/zinc/82/72/15/519827215.db2.gz AUOTXTLUEXACII-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000156609503 519843141 /nfs/dbraw/zinc/84/31/41/519843141.db2.gz YJZGDNPNRPCLJJ-AWEZNQCLSA-N 2 0 261.413 2.854 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000423317467 534450815 /nfs/dbraw/zinc/45/08/15/534450815.db2.gz BMQLXOTXISYEFI-IAGOWNOFSA-N 2 0 258.409 2.962 20 0 CFADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH3+] ZINC000062660248 519843788 /nfs/dbraw/zinc/84/37/88/519843788.db2.gz OAEHGASDTMRJRY-HNNXBMFYSA-N 2 0 262.397 2.962 20 0 CFADRP CCCC1CCC([NH2+]CCOCC[NH+](C)C)CC1 ZINC000226745538 519898520 /nfs/dbraw/zinc/89/85/20/519898520.db2.gz FFNAKHOHBOZGJR-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP Oc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422973309 534456381 /nfs/dbraw/zinc/45/63/81/534456381.db2.gz OARHSLYATCCVGX-BRWVUGGUSA-N 2 0 288.435 2.835 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414846332 534461213 /nfs/dbraw/zinc/46/12/13/534461213.db2.gz GWCVFLOGUNMIEU-KZTTYJGESA-N 2 0 262.372 2.818 20 0 CFADRP Fc1ccc(C(F)(F)F)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414841545 534461865 /nfs/dbraw/zinc/46/18/65/534461865.db2.gz YETYBMDLPJQASR-JTQLQIEISA-N 2 0 290.304 2.934 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2ccccc2OC)C1 ZINC000182536425 520253720 /nfs/dbraw/zinc/25/37/20/520253720.db2.gz CCRDGWMOENWBDV-MRXNPFEDSA-N 2 0 290.451 2.901 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)C1(C)C ZINC000085379486 520423404 /nfs/dbraw/zinc/42/34/04/520423404.db2.gz QRLVERLQBCFXQC-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccn2)cc1 ZINC000423331757 534492792 /nfs/dbraw/zinc/49/27/92/534492792.db2.gz CVMDIFQXGUWORE-SFHVURJKSA-N 2 0 297.377 2.819 20 0 CFADRP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423220012 534493740 /nfs/dbraw/zinc/49/37/40/534493740.db2.gz XQKYCGSRGGZDBQ-BLLLJJGKSA-N 2 0 262.372 2.866 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000165946418 520502432 /nfs/dbraw/zinc/50/24/32/520502432.db2.gz WKEZKOARJUVDOZ-QAPCUYQASA-N 2 0 290.451 2.929 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000361173705 520583465 /nfs/dbraw/zinc/58/34/65/520583465.db2.gz LISZHYPNBBKNMM-IXDOHACOSA-N 2 0 281.488 2.713 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000360976529 520587159 /nfs/dbraw/zinc/58/71/59/520587159.db2.gz ZCNXTWHQLTYKOA-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250504 534503267 /nfs/dbraw/zinc/50/32/67/534503267.db2.gz QJUIMZUSCSBPBH-TZMCWYRMSA-N 2 0 262.422 2.813 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328469883 520611040 /nfs/dbraw/zinc/61/10/40/520611040.db2.gz ZDKYSRLGBBHXGE-DLBZAZTESA-N 2 0 288.435 2.666 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193936590 520625239 /nfs/dbraw/zinc/62/52/39/520625239.db2.gz RNQICIPZXJLBCF-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055125569 520632871 /nfs/dbraw/zinc/63/28/71/520632871.db2.gz NXPGJHCADIMMKX-JYJNAYRXSA-N 2 0 297.487 2.521 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000213607894 520637830 /nfs/dbraw/zinc/63/78/30/520637830.db2.gz JRZVBXRPDRKVNR-AWEZNQCLSA-N 2 0 293.455 2.999 20 0 CFADRP CC1(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)COC1 ZINC000309718324 520734191 /nfs/dbraw/zinc/73/41/91/520734191.db2.gz LLAQVIRPTFYYAF-QGZVFWFLSA-N 2 0 288.435 2.525 20 0 CFADRP CC1(C[NH2+][C@H]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000334864276 520739249 /nfs/dbraw/zinc/73/92/49/520739249.db2.gz OSCUQNPNYSLPAK-INIZCTEOSA-N 2 0 258.409 2.523 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192678065 521002469 /nfs/dbraw/zinc/00/24/69/521002469.db2.gz ALBLDHGCJVTOGN-AYHJJNSGSA-N 3 0 293.499 2.713 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049551749 521007344 /nfs/dbraw/zinc/00/73/44/521007344.db2.gz VDGGQOVLHVJVDE-ZDUSSCGKSA-N 2 0 250.386 2.515 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300697787 521095364 /nfs/dbraw/zinc/09/53/64/521095364.db2.gz RJSDSCWYSPQTKJ-UHOFOFEASA-N 2 0 262.397 2.520 20 0 CFADRP [NH3+]C1(c2noc(C3C[NH+](C4CCCCC4)C3)n2)CCCC1 ZINC000414632204 534552563 /nfs/dbraw/zinc/55/25/63/534552563.db2.gz YYEMNBWOJVSXLJ-UHFFFAOYSA-N 2 0 290.411 2.530 20 0 CFADRP CC(C)(C)C1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000459375372 534550629 /nfs/dbraw/zinc/55/06/29/534550629.db2.gz MQCBWBFAEOGYPD-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1occc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000414372006 534569693 /nfs/dbraw/zinc/56/96/93/534569693.db2.gz JFIUWSDRCJYTDW-UHFFFAOYSA-N 2 0 292.423 2.522 20 0 CFADRP Cc1occc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000414366379 534571120 /nfs/dbraw/zinc/57/11/20/534571120.db2.gz BNQDZPNJLDSHTO-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338692319 521691959 /nfs/dbraw/zinc/69/19/59/521691959.db2.gz ZNCXBWGHPFMHHB-HNNXBMFYSA-N 2 0 293.499 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cccc3C)C1 ZINC000360414162 521717674 /nfs/dbraw/zinc/71/76/74/521717674.db2.gz OLBNHOLUEPWDTJ-PBHICJAKSA-N 2 0 258.409 2.914 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccncc2)C[C@@H]1C ZINC000360456611 521719667 /nfs/dbraw/zinc/71/96/67/521719667.db2.gz SDZIYMZMWDWVLE-RDJZCZTQSA-N 2 0 275.440 2.819 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@@H](C)C1 ZINC000246496566 521721033 /nfs/dbraw/zinc/72/10/33/521721033.db2.gz SGVGOUTZZWNXJP-YOEHRIQHSA-N 2 0 276.424 2.824 20 0 CFADRP C[NH+](C)CCOCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000318856133 521795570 /nfs/dbraw/zinc/79/55/70/521795570.db2.gz OHSTWDALIBJJTF-UHFFFAOYSA-N 2 0 298.430 2.944 20 0 CFADRP C[NH+](C)CCOCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000318515814 521796005 /nfs/dbraw/zinc/79/60/05/521796005.db2.gz ZPJHTXUDJRYLBW-UHFFFAOYSA-N 2 0 296.414 2.924 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000423332826 534605118 /nfs/dbraw/zinc/60/51/18/534605118.db2.gz REHFJBYJKUDHCX-INIZCTEOSA-N 2 0 273.355 2.639 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC000071146266 522055362 /nfs/dbraw/zinc/05/53/62/522055362.db2.gz YJBWUUANQILIOU-INIZCTEOSA-N 2 0 276.424 2.614 20 0 CFADRP CC[C@H](COC)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000156226297 522258483 /nfs/dbraw/zinc/25/84/83/522258483.db2.gz GTSIQLAAUNJDBG-NVXWUHKLSA-N 2 0 278.440 2.912 20 0 CFADRP COC1(C[NH2+]CCC[NH+]2CCC(C)CC2)CCCC1 ZINC000319125321 522626482 /nfs/dbraw/zinc/62/64/82/522626482.db2.gz GOGVZJQURONLEA-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000155602156 522628116 /nfs/dbraw/zinc/62/81/16/522628116.db2.gz VBACWRCXOGZFJQ-WMZOPIPTSA-N 2 0 289.467 2.753 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H](C)c1ccccc1 ZINC000234785635 522667815 /nfs/dbraw/zinc/66/78/15/522667815.db2.gz SCALZUCMXIJINS-HOCLYGCPSA-N 2 0 264.413 2.524 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000234696599 522668775 /nfs/dbraw/zinc/66/87/75/522668775.db2.gz PUYQJLOMWNHBFP-ZBFHGGJFSA-N 2 0 294.439 2.878 20 0 CFADRP C[N@H+](CCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000231669490 522788793 /nfs/dbraw/zinc/78/87/93/522788793.db2.gz FBCCAGRBSNYYPP-HNNXBMFYSA-N 2 0 262.397 2.529 20 0 CFADRP COCc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)ccc1OC ZINC000049553891 522938782 /nfs/dbraw/zinc/93/87/82/522938782.db2.gz HTBHUWSDBPGBII-ZIAGYGMSSA-N 2 0 294.439 2.832 20 0 CFADRP COCc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000339193272 522968854 /nfs/dbraw/zinc/96/88/54/522968854.db2.gz FAVMZGHIXQHZJD-JWTNVVGKSA-N 2 0 288.435 2.890 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CCC=CO1)CC2)C1CC1 ZINC000365801021 523026101 /nfs/dbraw/zinc/02/61/01/523026101.db2.gz ZUTFFANKLDSIAX-RDJZCZTQSA-N 2 0 290.451 2.875 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422939704 534680844 /nfs/dbraw/zinc/68/08/44/534680844.db2.gz IEWKLHIRYRQWSR-GJZGRUSLSA-N 2 0 264.413 2.788 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422784848 534690966 /nfs/dbraw/zinc/69/09/66/534690966.db2.gz MNMFAERIJUPBRB-CABCVRRESA-N 2 0 286.423 2.594 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000366300382 523427535 /nfs/dbraw/zinc/42/75/35/523427535.db2.gz RHBJXMVWOGRJPS-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953771 534710684 /nfs/dbraw/zinc/71/06/84/534710684.db2.gz GHNRUXJGPHJZJD-CVEARBPZSA-N 2 0 291.464 2.527 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422769584 534715144 /nfs/dbraw/zinc/71/51/44/534715144.db2.gz VJQIRBPQYAYUAC-ZIAGYGMSSA-N 2 0 268.401 2.777 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000338689128 523585528 /nfs/dbraw/zinc/58/55/28/523585528.db2.gz RHBVMPBNPOFJTN-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CCc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000336190740 523794170 /nfs/dbraw/zinc/79/41/70/523794170.db2.gz ZHYRTNKHYNIYKZ-CJNGLKHVSA-N 2 0 259.397 2.565 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000050705050 523811088 /nfs/dbraw/zinc/81/10/88/523811088.db2.gz OPKYVXLHXCDGTQ-UHFFFAOYSA-N 2 0 262.397 2.564 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+](CC1CC1)CC1CCC1 ZINC000361565470 523849077 /nfs/dbraw/zinc/84/90/77/523849077.db2.gz MMDKBOGPRQTRFQ-INIZCTEOSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158798450 523857316 /nfs/dbraw/zinc/85/73/16/523857316.db2.gz GVUCJGKOJCIDKL-YOEHRIQHSA-N 2 0 292.398 2.621 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000366300384 523889757 /nfs/dbraw/zinc/88/97/57/523889757.db2.gz RHBJXMVWOGRJPS-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000360253617 523938669 /nfs/dbraw/zinc/93/86/69/523938669.db2.gz ZPBWBVZTVAASKH-RHSMWYFYSA-N 2 0 276.424 2.558 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCc4ccccc43)C[C@@H]2C1 ZINC000193626309 524017464 /nfs/dbraw/zinc/01/74/64/524017464.db2.gz REGFEWWYPMPNEQ-UXLLHSPISA-N 2 0 256.393 2.557 20 0 CFADRP CN1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc21 ZINC000364851599 524021526 /nfs/dbraw/zinc/02/15/26/524021526.db2.gz FGNWKIQOZCPDPT-RYQLBKOJSA-N 2 0 299.462 2.512 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1c(F)cccc1Cl ZINC000045598350 524052859 /nfs/dbraw/zinc/05/28/59/524052859.db2.gz AXVPNWZXLLLWTJ-UHFFFAOYSA-N 2 0 258.768 2.911 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360611852 524052988 /nfs/dbraw/zinc/05/29/88/524052988.db2.gz IAGYIVBJMLTOCB-AWEZNQCLSA-N 2 0 293.386 2.531 20 0 CFADRP COc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1Cl ZINC000086585926 524069124 /nfs/dbraw/zinc/06/91/24/524069124.db2.gz MFPNQOVVDZJLNL-UHFFFAOYSA-N 2 0 268.788 2.708 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310032157 524136903 /nfs/dbraw/zinc/13/69/03/524136903.db2.gz YEEPHJHQLHWCHU-SJLPKXTDSA-N 3 0 289.467 2.616 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000049553662 524137911 /nfs/dbraw/zinc/13/79/11/524137911.db2.gz IIBASNLCFCWXRC-ZIAGYGMSSA-N 2 0 294.439 2.565 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000310323070 524138709 /nfs/dbraw/zinc/13/87/09/524138709.db2.gz ZJOIZKOFRKIVIC-DGCLKSJQSA-N 2 0 250.411 2.941 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000049553723 524168041 /nfs/dbraw/zinc/16/80/41/524168041.db2.gz FYBBAFXLRXLZSH-HUUCEWRRSA-N 2 0 286.423 2.863 20 0 CFADRP Cc1cccc(C)c1OCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193632390 524309115 /nfs/dbraw/zinc/30/91/15/524309115.db2.gz KRCPRINJTPMHHF-CALCHBBNSA-N 2 0 288.435 2.566 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c21 ZINC000422710249 534775944 /nfs/dbraw/zinc/77/59/44/534775944.db2.gz FMBMHEZRPUDUOB-OLZOCXBDSA-N 2 0 259.397 2.734 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)c21 ZINC000422710845 534776746 /nfs/dbraw/zinc/77/67/46/534776746.db2.gz GERPULBEJVOHIG-UKRRQHHQSA-N 2 0 271.408 2.749 20 0 CFADRP Cc1cccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000051669122 524363148 /nfs/dbraw/zinc/36/31/48/524363148.db2.gz ISVXPDKQVDLFKH-OAHLLOKOSA-N 2 0 260.425 2.857 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000361196413 524387221 /nfs/dbraw/zinc/38/72/21/524387221.db2.gz WYGBXZGWQNEZGY-INIZCTEOSA-N 2 0 291.439 2.581 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000334866343 524388245 /nfs/dbraw/zinc/38/82/45/524388245.db2.gz VFUAACUFRSWNGT-ROUUACIJSA-N 2 0 288.435 2.713 20 0 CFADRP C[C@H]1CC[C@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)O1 ZINC000191029351 524405573 /nfs/dbraw/zinc/40/55/73/524405573.db2.gz ZXICVIHCWZFPDG-GOEBONIOSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000070101652 524428258 /nfs/dbraw/zinc/42/82/58/524428258.db2.gz KAKBLIMNUJLFFG-ZDUSSCGKSA-N 2 0 259.397 2.829 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCSc1ccccc1 ZINC000310261315 524455011 /nfs/dbraw/zinc/45/50/11/524455011.db2.gz LYJDAAJPJMCLCF-ZDUSSCGKSA-N 2 0 252.427 2.886 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)c1ccccc1 ZINC000192672083 524480782 /nfs/dbraw/zinc/48/07/82/524480782.db2.gz YRFSKNRNESCMFQ-DUZACMNTSA-N 2 0 287.451 2.726 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000159048561 524485567 /nfs/dbraw/zinc/48/55/67/524485567.db2.gz PSMXTKQZGRYZSG-CVEARBPZSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Oc1ccc(F)cc1 ZINC000361721541 524497524 /nfs/dbraw/zinc/49/75/24/524497524.db2.gz SKGFSOYVCMCVLC-XJKCOSOUSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000356853648 524560688 /nfs/dbraw/zinc/56/06/88/524560688.db2.gz SOIHDKUQBCFUBS-LSDHHAIUSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000361347143 524561099 /nfs/dbraw/zinc/56/10/99/524561099.db2.gz SKFLNJZNTLEZSI-XJKSGUPXSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCSC1 ZINC000228558977 524645456 /nfs/dbraw/zinc/64/54/56/524645456.db2.gz UZXCTTGWCPBHOD-HZSPNIEDSA-N 2 0 256.459 2.640 20 0 CFADRP Cc1csc(CCCC[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000422905006 534801325 /nfs/dbraw/zinc/80/13/25/534801325.db2.gz HMFWYMCAGVNEMC-UHFFFAOYSA-N 2 0 281.469 2.881 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1Cl ZINC000336050987 524714358 /nfs/dbraw/zinc/71/43/58/524714358.db2.gz CLTOGMKWLZMCHT-WCQYABFASA-N 2 0 252.789 2.818 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049156047 524762494 /nfs/dbraw/zinc/76/24/94/524762494.db2.gz RWYDVNIOMPMKPS-OLZOCXBDSA-N 2 0 266.454 2.999 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361492443 524911910 /nfs/dbraw/zinc/91/19/10/524911910.db2.gz HYIWOBZUSCNODR-RVKKMQEKSA-N 2 0 298.434 2.691 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c21 ZINC000165241709 524922228 /nfs/dbraw/zinc/92/22/28/524922228.db2.gz POJBUAKEHIRFSA-GOEBONIOSA-N 2 0 285.435 2.949 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)CC[N@@H+]1C ZINC000335051140 524925872 /nfs/dbraw/zinc/92/58/72/524925872.db2.gz CSELHBVZRUINJM-XJKSGUPXSA-N 2 0 273.424 2.617 20 0 CFADRP C[C@@H]1C[N@H+](CCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000339408752 524944494 /nfs/dbraw/zinc/94/44/94/524944494.db2.gz VGWWKLSYZMFAGZ-GDBMZVCRSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)CC[N@@H+]1C ZINC000373905312 525264394 /nfs/dbraw/zinc/26/43/94/525264394.db2.gz PUCZEONGACCAKY-RYRKJORJSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000361891719 525319386 /nfs/dbraw/zinc/31/93/86/525319386.db2.gz YBVGKZDVVHRJSV-HNNXBMFYSA-N 2 0 298.430 2.947 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1cc(Br)cs1 ZINC000229851369 525335867 /nfs/dbraw/zinc/33/58/67/525335867.db2.gz FPNMLAAIFBJJIL-ZETCQYMHSA-N 2 0 263.204 2.510 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000361162941 525426144 /nfs/dbraw/zinc/42/61/44/525426144.db2.gz HBZMQGNPCHBOBV-OAHLLOKOSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)CC[NH2+]1 ZINC000334861326 525442971 /nfs/dbraw/zinc/44/29/71/525442971.db2.gz AUCPUQAXTZWTFB-ZWNOBZJWSA-N 2 0 283.213 2.679 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1(C)CC1 ZINC000162582874 525458695 /nfs/dbraw/zinc/45/86/95/525458695.db2.gz MTXIJRTUURWGRF-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)no1 ZINC000340476051 525514553 /nfs/dbraw/zinc/51/45/53/525514553.db2.gz GNXZVQRRNOEWLQ-AWEZNQCLSA-N 2 0 265.401 2.900 20 0 CFADRP C[C@@H](O)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000364764471 525757724 /nfs/dbraw/zinc/75/77/24/525757724.db2.gz NEIDAJQBHZGNAS-CQSZACIVSA-N 2 0 268.445 2.534 20 0 CFADRP Cc1cc(NCC[N@H+]2CC=CCC2)c2cc(F)ccc2[nH+]1 ZINC000338709077 526113199 /nfs/dbraw/zinc/11/31/99/526113199.db2.gz CHGVFWUOCGYLPQ-UHFFFAOYSA-N 2 0 285.366 2.778 20 0 CFADRP Fc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000334867968 526384899 /nfs/dbraw/zinc/38/48/99/526384899.db2.gz HCADCONYYWRXRV-ZBFHGGJFSA-N 2 0 262.372 2.790 20 0 CFADRP Fc1cccc(F)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000257694547 526394518 /nfs/dbraw/zinc/39/45/18/526394518.db2.gz OKMKKGQZPYSLFV-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000309724491 526470990 /nfs/dbraw/zinc/47/09/90/526470990.db2.gz NCISAERAZWUCMN-SJORKVTESA-N 2 0 290.476 2.851 20 0 CFADRP c1oc2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000084109993 526627470 /nfs/dbraw/zinc/62/74/70/526627470.db2.gz JEBNFDQZRNRANJ-INIZCTEOSA-N 2 0 256.349 2.618 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCCCC[NH3+])s1 ZINC000049538735 526745033 /nfs/dbraw/zinc/74/50/33/526745033.db2.gz SDHRMESRLQDZTK-SNVBAGLBSA-N 2 0 255.431 2.930 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000414843997 526822208 /nfs/dbraw/zinc/82/22/08/526822208.db2.gz QVHPORHLQSCEOK-GFCCVEGCSA-N 2 0 281.469 2.920 20 0 CFADRP Clc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000334844835 526984384 /nfs/dbraw/zinc/98/43/84/526984384.db2.gz VRUPCXKPGOCJSX-IAQYHMDHSA-N 2 0 264.800 2.917 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423147850 527176384 /nfs/dbraw/zinc/17/63/84/527176384.db2.gz SWMPHKJNPCGWAR-BZUAXINKSA-N 2 0 287.451 2.870 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000415085445 527177380 /nfs/dbraw/zinc/17/73/80/527177380.db2.gz QOPANROSLQKKLA-MRXNPFEDSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000423147550 527178598 /nfs/dbraw/zinc/17/85/98/527178598.db2.gz CVDKCRARIZDEAE-ARFHVFGLSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000316505799 527182077 /nfs/dbraw/zinc/18/20/77/527182077.db2.gz WGIHDNLRRJGJMU-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000227116691 527209359 /nfs/dbraw/zinc/20/93/59/527209359.db2.gz CLOBHTJGRYGTSJ-IRXDYDNUSA-N 2 0 287.451 2.546 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423290207 527259455 /nfs/dbraw/zinc/25/94/55/527259455.db2.gz ZOSHIADVAPLBLM-HUUCEWRRSA-N 2 0 276.424 2.697 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423282622 527259749 /nfs/dbraw/zinc/25/97/49/527259749.db2.gz CYYJZFKYFQOPGI-KGLIPLIRSA-N 2 0 262.397 2.559 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]21 ZINC000230045388 527353508 /nfs/dbraw/zinc/35/35/08/527353508.db2.gz BVNNHRCEDDJSIY-IXDOHACOSA-N 2 0 258.409 2.678 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC000228545361 527353803 /nfs/dbraw/zinc/35/38/03/527353803.db2.gz SATOSPYVFLSBET-ZQOWYGACSA-N 2 0 256.393 2.759 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)COC1CCCC1 ZINC000422836066 527485624 /nfs/dbraw/zinc/48/56/24/527485624.db2.gz ZNLMUHDYLICFIQ-BBWFWOEESA-N 2 0 280.456 2.846 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834644 527489055 /nfs/dbraw/zinc/48/90/55/527489055.db2.gz GFNNTFQBIKJCGH-OAHLLOKOSA-N 2 0 293.480 2.802 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000335149828 527568592 /nfs/dbraw/zinc/56/85/92/527568592.db2.gz GFAORUYQEZTAFB-OLZOCXBDSA-N 2 0 270.380 2.806 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC2(C1)CCCC2 ZINC000334645920 527569335 /nfs/dbraw/zinc/56/93/35/527569335.db2.gz QOEJHOZFKRYPRA-UHFFFAOYSA-N 2 0 282.391 2.952 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CCC1CCCCC1 ZINC000361584169 527591309 /nfs/dbraw/zinc/59/13/09/527591309.db2.gz MUZXKWOIOOFNTE-KRWDZBQOSA-N 2 0 282.472 2.783 20 0 CFADRP CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423124336 527616788 /nfs/dbraw/zinc/61/67/88/527616788.db2.gz GEZGPUKRJZFQKS-SOUVJXGZSA-N 2 0 282.472 2.805 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000364827513 527625243 /nfs/dbraw/zinc/62/52/43/527625243.db2.gz AKNAGAPEMCVRBV-HZPDHXFCSA-N 2 0 290.455 2.522 20 0 CFADRP O[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000305168385 527671399 /nfs/dbraw/zinc/67/13/99/527671399.db2.gz TVBLORYVLYLKJY-CRAIPNDOSA-N 2 0 294.483 2.924 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422811545 527730658 /nfs/dbraw/zinc/73/06/58/527730658.db2.gz PDMVQNZCEAYNEY-KKUMJFAQSA-N 2 0 256.434 2.558 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)C1 ZINC000153014134 527744428 /nfs/dbraw/zinc/74/44/28/527744428.db2.gz YZMIBIPONAMPBM-STQMWFEESA-N 2 0 280.387 2.827 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)cc2C)C1 ZINC000414079577 527744601 /nfs/dbraw/zinc/74/46/01/527744601.db2.gz TTWAFJPZHZAYQM-CABCVRRESA-N 2 0 276.424 2.996 20 0 CFADRP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303632 527782022 /nfs/dbraw/zinc/78/20/22/527782022.db2.gz MDYCBPUKCOGVDI-CQSZACIVSA-N 2 0 276.424 2.982 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@@H]1OCc1ccccc1 ZINC000423311016 527871525 /nfs/dbraw/zinc/87/15/25/527871525.db2.gz BDEUGFQWSCIATK-BBWFWOEESA-N 2 0 288.435 2.697 20 0 CFADRP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422920045 527904386 /nfs/dbraw/zinc/90/43/86/527904386.db2.gz LKLNOKAQRBRFHJ-GYTBAZASSA-N 2 0 268.445 2.545 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000422800415 527936119 /nfs/dbraw/zinc/93/61/19/527936119.db2.gz BOUXSOWAFGTHMX-BLNMRFBMSA-N 2 0 278.440 2.597 20 0 CFADRP CC1(C[NH2+]Cc2cccc(Br)c2)CC[NH2+]CC1 ZINC000414915313 527983097 /nfs/dbraw/zinc/98/30/97/527983097.db2.gz ZAFPWNVDWQLANX-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC[NH2+]CC1 ZINC000423337296 527988633 /nfs/dbraw/zinc/98/86/33/527988633.db2.gz UDWUSZIJDJJRJU-KGLIPLIRSA-N 2 0 256.409 2.884 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423141923 527989916 /nfs/dbraw/zinc/98/99/16/527989916.db2.gz SJEJHISYPWQSCP-YYIAUSFCSA-N 2 0 281.488 2.617 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422811495 528050178 /nfs/dbraw/zinc/05/01/78/528050178.db2.gz PASVLTOKMTUGMB-VVLHAWIVSA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000423170262 528084763 /nfs/dbraw/zinc/08/47/63/528084763.db2.gz XQGLUXPCSGCSIC-YHUYYLMFSA-N 2 0 268.445 2.843 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000423170258 528086446 /nfs/dbraw/zinc/08/64/46/528086446.db2.gz XQGLUXPCSGCSIC-QXSJWSMHSA-N 2 0 268.445 2.843 20 0 CFADRP CC(C)COCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422781319 528095809 /nfs/dbraw/zinc/09/58/09/528095809.db2.gz IJOBTEBEXSLIGJ-DOTOQJQBSA-N 2 0 278.440 2.597 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])C1(C)C ZINC000422768505 528132748 /nfs/dbraw/zinc/13/27/48/528132748.db2.gz NZMITWBPLWLWOS-ZQDZILKHSA-N 2 0 268.445 2.543 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414792460 528162776 /nfs/dbraw/zinc/16/27/76/528162776.db2.gz IVYLLOGFTOOKSY-HOCLYGCPSA-N 2 0 262.397 2.691 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414941925 528164009 /nfs/dbraw/zinc/16/40/09/528164009.db2.gz CWORDWASCFHMRU-HIFRSBDPSA-N 2 0 262.397 2.704 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422784823 528190937 /nfs/dbraw/zinc/19/09/37/528190937.db2.gz MJPPUPRYHSOVIO-LSDHHAIUSA-N 3 0 277.456 2.744 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CCSCC)CC1 ZINC000132227157 528204476 /nfs/dbraw/zinc/20/44/76/528204476.db2.gz XLSXWKBFNLMAOS-CYBMUJFWSA-N 2 0 258.475 2.982 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422952827 528204622 /nfs/dbraw/zinc/20/46/22/528204622.db2.gz DLIWWRRNXYHKEZ-ZBFHGGJFSA-N 2 0 276.424 2.906 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422952826 528205270 /nfs/dbraw/zinc/20/52/70/528205270.db2.gz DLIWWRRNXYHKEZ-HOCLYGCPSA-N 2 0 276.424 2.906 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422892333 528208628 /nfs/dbraw/zinc/20/86/28/528208628.db2.gz MTJUKYULOIVOFQ-STQMWFEESA-N 2 0 262.397 2.732 20 0 CFADRP CCC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC)cc1 ZINC000423287119 528215595 /nfs/dbraw/zinc/21/55/95/528215595.db2.gz KJXUSJUYVYZMMD-AWEZNQCLSA-N 2 0 250.386 2.863 20 0 CFADRP CCC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1CCCC1 ZINC000423172939 528236514 /nfs/dbraw/zinc/23/65/14/528236514.db2.gz WBMGVJYSCVCHEW-GJZGRUSLSA-N 2 0 256.434 2.689 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422727434 528245866 /nfs/dbraw/zinc/24/58/66/528245866.db2.gz CIYJLWVSXYJQCG-SZMVWBNQSA-N 2 0 289.467 2.800 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cs1 ZINC000422896776 528273925 /nfs/dbraw/zinc/27/39/25/528273925.db2.gz AYKBVCVFFOLDJQ-WDEREUQCSA-N 2 0 255.431 2.524 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000414846966 528279871 /nfs/dbraw/zinc/27/98/71/528279871.db2.gz FOGBVTYEJUCPOL-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414846974 528280063 /nfs/dbraw/zinc/28/00/63/528280063.db2.gz FOGBVTYEJUCPOL-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])Cc1ccccc1 ZINC000422836298 528280415 /nfs/dbraw/zinc/28/04/15/528280415.db2.gz QWRLTSFXJFFEPK-NUJGCVRESA-N 2 0 291.483 2.655 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Cc1ccccc1 ZINC000422836296 528281160 /nfs/dbraw/zinc/28/11/60/528281160.db2.gz QWRLTSFXJFFEPK-BQFCYCMXSA-N 2 0 291.483 2.655 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccsc1 ZINC000422870040 528281280 /nfs/dbraw/zinc/28/12/80/528281280.db2.gz YGHNLKUUAWQUAI-KCQAQPDRSA-N 2 0 283.485 2.846 20 0 CFADRP CC[NH2+]Cc1cccc(NC2CCC(C[NH3+])CC2)c1 ZINC000414862065 528348191 /nfs/dbraw/zinc/34/81/91/528348191.db2.gz GZWAQJXRUPUGRG-UHFFFAOYSA-N 2 0 261.413 2.726 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000414869417 528349270 /nfs/dbraw/zinc/34/92/70/528349270.db2.gz PZVQQOSYLHYYJH-HIFRSBDPSA-N 2 0 261.413 2.739 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000428300416 528351210 /nfs/dbraw/zinc/35/12/10/528351210.db2.gz MFSRBYJKJUDKOC-KBPBESRZSA-N 2 0 289.423 2.607 20 0 CFADRP CC(C)[C@@H](CO)[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420315167 528472965 /nfs/dbraw/zinc/47/29/65/528472965.db2.gz ZWLYPWJPNJLOEU-FUHWJXTLSA-N 2 0 290.451 2.505 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414867256 528508910 /nfs/dbraw/zinc/50/89/10/528508910.db2.gz IAONZFPNEMPIHR-WBVHZDCISA-N 2 0 281.488 2.619 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414867332 528509819 /nfs/dbraw/zinc/50/98/19/528509819.db2.gz IJIKPTCQFPYMLP-DOTOQJQBSA-N 2 0 281.488 2.619 20 0 CFADRP CC[N@H+](CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000422875764 528515537 /nfs/dbraw/zinc/51/55/37/528515537.db2.gz DFLUUAXDAHXLDZ-CVEARBPZSA-N 2 0 269.477 2.617 20 0 CFADRP CCC[NH2+][C@H](C)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000414478187 528559840 /nfs/dbraw/zinc/55/98/40/528559840.db2.gz FHUDTBTWEZKLOT-GFCCVEGCSA-N 2 0 288.395 2.859 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000422939268 528598917 /nfs/dbraw/zinc/59/89/17/528598917.db2.gz LSJCXLUHBALSNM-HIFRSBDPSA-N 2 0 292.423 2.887 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000422789743 528598910 /nfs/dbraw/zinc/59/89/10/528598910.db2.gz SJUHOLAFOBBZLP-IAQYHMDHSA-N 2 0 250.361 2.720 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OCC ZINC000423235729 528607115 /nfs/dbraw/zinc/60/71/15/528607115.db2.gz RKMCVRRQHKTQNA-STQMWFEESA-N 2 0 280.412 2.872 20 0 CFADRP CCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422859440 528617790 /nfs/dbraw/zinc/61/77/90/528617790.db2.gz KEHDBOGBJVXNFC-KBPBESRZSA-N 2 0 264.413 2.999 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000414914330 528669381 /nfs/dbraw/zinc/66/93/81/528669381.db2.gz XYQSAZKQZSGASI-UHFFFAOYSA-N 2 0 281.469 2.821 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415044482 528670820 /nfs/dbraw/zinc/67/08/20/528670820.db2.gz SSWIGCFZHCVCGC-RYUDHWBXSA-N 2 0 267.442 2.559 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422901264 528672046 /nfs/dbraw/zinc/67/20/46/528672046.db2.gz RTYZLLAILJHFNN-SJORKVTESA-N 2 0 276.424 2.877 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000422711905 528690208 /nfs/dbraw/zinc/69/02/08/528690208.db2.gz HSANGHCVKBOTKX-XFIYOXNOSA-N 2 0 268.445 2.543 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000423203656 528720568 /nfs/dbraw/zinc/72/05/68/528720568.db2.gz SUQSIGXCUPMDEZ-CYBMUJFWSA-N 2 0 250.386 2.736 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C)cc1 ZINC000423203657 528725026 /nfs/dbraw/zinc/72/50/26/528725026.db2.gz SUQSIGXCUPMDEZ-ZDUSSCGKSA-N 2 0 250.386 2.736 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422746008 528733151 /nfs/dbraw/zinc/73/31/51/528733151.db2.gz YTNXHFONIHGKAL-DZGCQCFKSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423157216 528780995 /nfs/dbraw/zinc/78/09/95/528780995.db2.gz UYCKTQRFWYDCEP-FPCVCCKLSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000414802858 528781451 /nfs/dbraw/zinc/78/14/51/528781451.db2.gz NFVFJFWHHUEIRG-UGUYLWEFSA-N 2 0 268.445 2.545 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000415005138 528843247 /nfs/dbraw/zinc/84/32/47/528843247.db2.gz OZKPUUDUPBVRGH-GOEBONIOSA-N 2 0 290.455 2.533 20 0 CFADRP CCC[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000177272790 528891199 /nfs/dbraw/zinc/89/11/99/528891199.db2.gz OFDWZFDZCSLJGY-ZACQAIPSSA-N 2 0 281.488 2.665 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000414801690 528949791 /nfs/dbraw/zinc/94/97/91/528949791.db2.gz ALFRCULDVDYFOE-ZDUSSCGKSA-N 2 0 294.439 2.742 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414805511 528951329 /nfs/dbraw/zinc/95/13/29/528951329.db2.gz GERNEKLPHFZQLI-NVXWUHKLSA-N 2 0 289.467 2.929 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000414810051 528952440 /nfs/dbraw/zinc/95/24/40/528952440.db2.gz NHJMDKBCKRGAMF-CQSZACIVSA-N 2 0 291.439 2.819 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423287591 528952996 /nfs/dbraw/zinc/95/29/96/528952996.db2.gz NFXQRYGHJUNAKB-CHWSQXEVSA-N 2 0 256.434 2.686 20 0 CFADRP CCCC[C@H](C[NH3+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000414812388 528953035 /nfs/dbraw/zinc/95/30/35/528953035.db2.gz KWTWWJVTSROHFW-GOSISDBHSA-N 2 0 289.467 2.758 20 0 CFADRP CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423287475 528953038 /nfs/dbraw/zinc/95/30/38/528953038.db2.gz MNUHRHKKVJTRKH-NVXWUHKLSA-N 2 0 289.467 2.757 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423300881 528956949 /nfs/dbraw/zinc/95/69/49/528956949.db2.gz SJAAQKXTXBLKHG-CGTJXYLNSA-N 2 0 289.467 2.614 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000423300883 528957559 /nfs/dbraw/zinc/95/75/59/528957559.db2.gz SJAAQKXTXBLKHG-KBAYOESNSA-N 2 0 289.467 2.614 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)CC1 ZINC000414334204 528987325 /nfs/dbraw/zinc/98/73/25/528987325.db2.gz GGOXFSKYQXMPSI-YJBOKZPZSA-N 2 0 288.435 2.873 20 0 CFADRP CC(C)[NH+]1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000414858737 529002046 /nfs/dbraw/zinc/00/20/46/529002046.db2.gz KYAWAYIIJTVJRD-UHFFFAOYSA-N 2 0 267.461 2.501 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422913952 529003736 /nfs/dbraw/zinc/00/37/36/529003736.db2.gz ZNZWNHKDSFFPRN-XMTFNYHQSA-N 2 0 293.499 2.761 20 0 CFADRP CCC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(OC)cc1 ZINC000423287120 529005536 /nfs/dbraw/zinc/00/55/36/529005536.db2.gz KJXUSJUYVYZMMD-CQSZACIVSA-N 2 0 250.386 2.863 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829693 529015689 /nfs/dbraw/zinc/01/56/89/529015689.db2.gz HRSIOFIDVRNNAU-HYVNUMGLSA-N 2 0 275.440 2.941 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1([NH3+])CCC1 ZINC000423325843 529027392 /nfs/dbraw/zinc/02/73/92/529027392.db2.gz LVCHHCZEHWQUOP-INIZCTEOSA-N 2 0 276.424 2.699 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244794 529030921 /nfs/dbraw/zinc/03/09/21/529030921.db2.gz XTFYCPPNDQHTMZ-CVEARBPZSA-N 2 0 264.388 2.734 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423288967 529034678 /nfs/dbraw/zinc/03/46/78/529034678.db2.gz AEORCUVWKUZDFQ-PBHICJAKSA-N 2 0 286.423 2.717 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[C@H]1OC ZINC000423393035 529109012 /nfs/dbraw/zinc/10/90/12/529109012.db2.gz QIERXGGNFMYKNT-IAGOWNOFSA-N 2 0 288.435 2.973 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CC1(C)C ZINC000414115519 529159231 /nfs/dbraw/zinc/15/92/31/529159231.db2.gz NCRKJIMTFIKNBU-IAGOWNOFSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000161788768 529161354 /nfs/dbraw/zinc/16/13/54/529161354.db2.gz HLQOKOJPDLPEOD-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000423251694 529167724 /nfs/dbraw/zinc/16/77/24/529167724.db2.gz SKTJUMCTCFRVDF-SWLSCSKDSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@@H]([NH2+]CCc1cccc2cccnc21)[C@@H]1CCC[NH2+]1 ZINC000422819149 529169909 /nfs/dbraw/zinc/16/99/09/529169909.db2.gz MLUHCWUCOMPSIU-SJORKVTESA-N 2 0 283.419 2.898 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423144719 529179369 /nfs/dbraw/zinc/17/93/69/529179369.db2.gz HTFIHPYPVZGMPM-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422838095 529179916 /nfs/dbraw/zinc/17/99/16/529179916.db2.gz WCMSZRTYCRJSJP-NXHRZFHOSA-N 2 0 287.451 2.633 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(OC)c1 ZINC000423448674 529204742 /nfs/dbraw/zinc/20/47/42/529204742.db2.gz FKKLHKVCERRRBC-IUODEOHRSA-N 2 0 250.386 2.863 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)OC ZINC000423162516 529212984 /nfs/dbraw/zinc/21/29/84/529212984.db2.gz TZGZQWPIYQXTRA-MQIPJXDCSA-N 2 0 279.428 2.560 20 0 CFADRP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422948390 529304910 /nfs/dbraw/zinc/30/49/10/529304910.db2.gz REZABVASMASXSJ-ZIAGYGMSSA-N 2 0 291.439 2.888 20 0 CFADRP CC[C@H](C[NH2+][C@@H](CCC[NH3+])COC)c1ccccc1 ZINC000422709752 529368886 /nfs/dbraw/zinc/36/88/86/529368886.db2.gz DXISLJFHIBKYPN-ZBFHGGJFSA-N 2 0 264.413 2.524 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])Oc1ccccc1C ZINC000422923264 529369286 /nfs/dbraw/zinc/36/92/86/529369286.db2.gz VSJOGAISOHALIL-RBSFLKMASA-N 2 0 262.397 2.622 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])Oc1ccccc1C ZINC000422919054 529370202 /nfs/dbraw/zinc/37/02/02/529370202.db2.gz JABWUICEZNWMFN-RBSFLKMASA-N 2 0 264.413 2.868 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)Oc1cccc(F)c1 ZINC000422855492 529371091 /nfs/dbraw/zinc/37/10/91/529371091.db2.gz VPHXJVYEMDGVDA-UNEWFSDZSA-N 2 0 294.414 2.961 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000402565805 529371515 /nfs/dbraw/zinc/37/15/15/529371515.db2.gz MCWYBVUWAFXXAQ-SRVKXCTJSA-N 2 0 266.351 2.895 20 0 CFADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449581954 535543178 /nfs/dbraw/zinc/54/31/78/535543178.db2.gz CTDOZUMKJLPPSU-CABCVRRESA-N 2 0 296.455 2.571 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC000450388286 535735402 /nfs/dbraw/zinc/73/54/02/535735402.db2.gz ISHIJCWQMIWAGY-GOSISDBHSA-N 2 0 291.483 2.589 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453057689 535740725 /nfs/dbraw/zinc/74/07/25/535740725.db2.gz IUFLCDRTRDCNBV-CRAIPNDOSA-N 2 0 293.499 2.571 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(C)(C)C1 ZINC000433171554 535915720 /nfs/dbraw/zinc/91/57/20/535915720.db2.gz ARXXBIVUKXLDHQ-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP CCc1cnc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459735083 536051542 /nfs/dbraw/zinc/05/15/42/536051542.db2.gz HNVGJSRZVNPFJU-GFCCVEGCSA-N 2 0 267.442 2.527 20 0 CFADRP CCc1cc(NC2CC[NH+](C(C)(C)C)CC2)cc[nH+]1 ZINC000450263365 536089469 /nfs/dbraw/zinc/08/94/69/536089469.db2.gz BPCVULRIMUKIKM-UHFFFAOYSA-N 2 0 261.413 2.741 20 0 CFADRP CCc1cc(NC2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1 ZINC000450258726 536089533 /nfs/dbraw/zinc/08/95/33/536089533.db2.gz BSWKWFXCENDLQD-UHFFFAOYSA-N 2 0 296.418 2.537 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000459781750 536384297 /nfs/dbraw/zinc/38/42/97/536384297.db2.gz MIAOOTJZCQWRPC-WLYUNCDWSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000738436282 574052233 /nfs/dbraw/zinc/05/22/33/574052233.db2.gz PKWQXVKTEFBPIY-OAHLLOKOSA-N 2 0 276.424 2.533 20 0 CFADRP C[C@H]1C[C@H](Nc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000156004432 574082669 /nfs/dbraw/zinc/08/26/69/574082669.db2.gz GSHINXOJZWKPPZ-XJKSGUPXSA-N 2 0 261.413 2.643 20 0 CFADRP c1c[nH]c(C[NH2+]CCCCCCC[NH+]2CCCC2)n1 ZINC000731218678 574112933 /nfs/dbraw/zinc/11/29/33/574112933.db2.gz ZODWLTYFNROHRN-UHFFFAOYSA-N 2 0 264.417 2.546 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000754786355 574131272 /nfs/dbraw/zinc/13/12/72/574131272.db2.gz QEJQSVKVZIBZQP-HUUCEWRRSA-N 2 0 292.398 2.811 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000415114147 574207981 /nfs/dbraw/zinc/20/79/81/574207981.db2.gz COUKJQWWBJIMSP-INIZCTEOSA-N 2 0 276.424 2.609 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1OCC(C)C ZINC000729682436 574227932 /nfs/dbraw/zinc/22/79/32/574227932.db2.gz RBLUDLDBNRDMGJ-OAHLLOKOSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CC[NH+](C)CC1 ZINC000396445383 574355101 /nfs/dbraw/zinc/35/51/01/574355101.db2.gz DHXQWACDBWPDKB-ARLBYUKCSA-N 2 0 280.456 2.510 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000396491243 574355585 /nfs/dbraw/zinc/35/55/85/574355585.db2.gz NGZMPSWFOGGFFV-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396469297 574355604 /nfs/dbraw/zinc/35/56/04/574355604.db2.gz WAEURJCXNKKTHP-RHSMWYFYSA-N 2 0 276.424 2.694 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396469298 574355642 /nfs/dbraw/zinc/35/56/42/574355642.db2.gz WAEURJCXNKKTHP-WMLDXEAASA-N 2 0 276.424 2.694 20 0 CFADRP OCCCCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000743840334 574373334 /nfs/dbraw/zinc/37/33/34/574373334.db2.gz ALYBAAAUHPYCHY-UHFFFAOYSA-N 2 0 282.472 2.737 20 0 CFADRP C[C@H]([NH2+]CCN1CCC(C)(C)C1)C1CCSCC1 ZINC000898033799 620326557 /nfs/dbraw/zinc/32/65/57/620326557.db2.gz CMCCMGAZXKOXQT-ZDUSSCGKSA-N 2 0 270.486 2.840 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924773258 620652599 /nfs/dbraw/zinc/65/25/99/620652599.db2.gz JPWCNKSOLUFKLS-BLNMRFBMSA-N 2 0 268.445 2.652 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC000262144418 618079996 /nfs/dbraw/zinc/07/99/96/618079996.db2.gz ZKBTYPAOOYYYCH-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000235118708 618102895 /nfs/dbraw/zinc/10/28/95/618102895.db2.gz UEGASXJETONLIX-OLZOCXBDSA-N 2 0 256.459 2.912 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000891574152 617673306 /nfs/dbraw/zinc/67/33/06/617673306.db2.gz MFAWSOXHXVGJPA-UHFFFAOYSA-N 2 0 264.335 2.603 20 0 CFADRP COCCCC1(C[NH+]2CCC(C[NH+](C)C)CC2)CCC1 ZINC000891611352 617685114 /nfs/dbraw/zinc/68/51/14/617685114.db2.gz LPMQIRZIWSXJQT-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000843342627 617746381 /nfs/dbraw/zinc/74/63/81/617746381.db2.gz NLEXGBCXDIYMQI-ZDUSSCGKSA-N 2 0 262.397 2.791 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC1 ZINC000891797829 617758592 /nfs/dbraw/zinc/75/85/92/617758592.db2.gz XXJMREWUYIUVRD-QGZVFWFLSA-N 2 0 274.408 2.871 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933736889 617764784 /nfs/dbraw/zinc/76/47/84/617764784.db2.gz KDKIPPNSQVSFFO-RCCFBDPRSA-N 2 0 288.435 2.648 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000933878554 617804559 /nfs/dbraw/zinc/80/45/59/617804559.db2.gz LNLCSOXQONUSQE-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]1Cc2cc(C[N@H+](C)CC3CC[NH+](C)CC3)ccc2O1 ZINC000891933504 617835162 /nfs/dbraw/zinc/83/51/62/617835162.db2.gz IEGSYEZDONFXHN-CQSZACIVSA-N 2 0 288.435 2.784 20 0 CFADRP CCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000891943471 617842596 /nfs/dbraw/zinc/84/25/96/617842596.db2.gz RVFGGEMMHXUIJJ-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP COC(C)(C)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000234590165 617882005 /nfs/dbraw/zinc/88/20/05/617882005.db2.gz UHMIHWJRRQNQOY-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP CSCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000892034722 617919328 /nfs/dbraw/zinc/91/93/28/617919328.db2.gz SURZVTHMQMCMCC-MRXNPFEDSA-N 2 0 278.465 2.933 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926338016 617919903 /nfs/dbraw/zinc/91/99/03/617919903.db2.gz VKMBIYPDNUDRQX-OOHWJJMZSA-N 2 0 273.424 2.619 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262035812 617942794 /nfs/dbraw/zinc/94/27/94/617942794.db2.gz OODDVNZBQJRYBW-HUUCEWRRSA-N 2 0 250.430 2.888 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCC(OC)CC2)[C@H](C)C1 ZINC000892105501 617953938 /nfs/dbraw/zinc/95/39/38/617953938.db2.gz MDTLVPABJKIPSC-VXLLPVPCSA-N 2 0 282.472 2.854 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN3CCCC[C@H]23)C[C@H](C)O1 ZINC000926353218 617958242 /nfs/dbraw/zinc/95/82/42/617958242.db2.gz HADGDZVZTHRMGB-ZHCJQAHYSA-N 2 0 280.456 2.797 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262039612 617958649 /nfs/dbraw/zinc/95/86/49/617958649.db2.gz PAFFVPPPOGSQPI-UHFFFAOYSA-N 2 0 274.408 2.661 20 0 CFADRP CCn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)n1 ZINC000892122674 617961550 /nfs/dbraw/zinc/96/15/50/617961550.db2.gz ZRMPXXIVRJMDDP-UHFFFAOYSA-N 2 0 292.471 2.765 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000892131158 617965974 /nfs/dbraw/zinc/96/59/74/617965974.db2.gz WZMXHIRRYTXUSI-QGZVFWFLSA-N 2 0 258.409 2.645 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000892141309 617970557 /nfs/dbraw/zinc/97/05/57/617970557.db2.gz AAMZKAOKPLZOBL-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CC(C)CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000892154586 617976397 /nfs/dbraw/zinc/97/63/97/617976397.db2.gz ZWCBSVSYLRMQBJ-QZTJIDSGSA-N 2 0 295.515 2.771 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(Cc3cnn(C4CCC4)c3)CC[C@@H]21 ZINC000892225475 618014240 /nfs/dbraw/zinc/01/42/40/618014240.db2.gz BXRBLYFIWJRCDL-RDJZCZTQSA-N 2 0 288.439 2.524 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000050269039 618105647 /nfs/dbraw/zinc/10/56/47/618105647.db2.gz RBHRTFYDTJLMMB-OAHLLOKOSA-N 2 0 252.402 2.533 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cnn(C2CCC2)c1 ZINC000926113312 618111814 /nfs/dbraw/zinc/11/18/14/618111814.db2.gz FFWAZXHLDVGHPO-AWEZNQCLSA-N 2 0 290.455 2.991 20 0 CFADRP C[N@H+](CCCNC(=[NH2+])NC(C)(C)C)C1CCCCC1 ZINC000052042668 618121542 /nfs/dbraw/zinc/12/15/42/618121542.db2.gz IVEJFIMMHDCKPV-UHFFFAOYSA-N 2 0 268.449 2.553 20 0 CFADRP CSC1(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC[NH+](C)CC1 ZINC000926447303 618125654 /nfs/dbraw/zinc/12/56/54/618125654.db2.gz AGBRKYGHVBMDLK-ZNMIVQPWSA-N 2 0 280.481 2.758 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000157106576 618169391 /nfs/dbraw/zinc/16/93/91/618169391.db2.gz BUSJFOCZTNLYQK-UHFFFAOYSA-N 2 0 250.361 2.836 20 0 CFADRP CC(C)C[C@@H]1C[N@H+](C)CCN1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000933249556 618175591 /nfs/dbraw/zinc/17/55/91/618175591.db2.gz COYGOYJFBLHWSK-KZNAEPCWSA-N 2 0 295.515 2.626 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000070189965 618177353 /nfs/dbraw/zinc/17/73/53/618177353.db2.gz HMNKEOGGDYLPSW-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)[C@@H](C)O ZINC000926525017 618179815 /nfs/dbraw/zinc/17/98/15/618179815.db2.gz IBZDROWZDGXYGD-IOASZLSFSA-N 2 0 264.413 2.558 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926533255 618185124 /nfs/dbraw/zinc/18/51/24/618185124.db2.gz ANBCTBCDWZLNGD-OLMNPRSZSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000257662132 618190939 /nfs/dbraw/zinc/19/09/39/618190939.db2.gz CAHADXUXRUUHGF-WDEREUQCSA-N 2 0 254.324 2.697 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000063197663 618208771 /nfs/dbraw/zinc/20/87/71/618208771.db2.gz FALCDODXSNQXEK-MRXNPFEDSA-N 2 0 280.362 2.929 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000926569769 618215276 /nfs/dbraw/zinc/21/52/76/618215276.db2.gz VCQMDUQHNMJGAM-IOAVXAOSSA-N 2 0 274.383 2.611 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cn2c(n1)CCCC2 ZINC000926605064 618230290 /nfs/dbraw/zinc/23/02/90/618230290.db2.gz AJQLVJBPPZJAPE-WLYUNCDWSA-N 2 0 290.455 2.743 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309690675 618232785 /nfs/dbraw/zinc/23/27/85/618232785.db2.gz CVSMKJOBQFIAEB-DJIMGWMZSA-N 2 0 258.409 2.897 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000924524513 618233803 /nfs/dbraw/zinc/23/38/03/618233803.db2.gz CLDKLXTZPBXQPE-CVEARBPZSA-N 2 0 270.461 2.639 20 0 CFADRP [NH3+]C1CC([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000309768820 618235880 /nfs/dbraw/zinc/23/58/80/618235880.db2.gz AKTLHIJEIFAIRT-UHFFFAOYSA-N 2 0 282.387 2.845 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ocnc2C)CC1 ZINC000893940910 618247219 /nfs/dbraw/zinc/24/72/19/618247219.db2.gz SQSSILCAFVIKPI-UHFFFAOYSA-N 2 0 279.428 2.927 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000925570279 618251640 /nfs/dbraw/zinc/25/16/40/618251640.db2.gz VXDNVTCTGMIEFE-VXGBXAGGSA-N 2 0 267.442 2.571 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000892425908 618256248 /nfs/dbraw/zinc/25/62/48/618256248.db2.gz CDWBWLRZSQTCIO-UHFFFAOYSA-N 2 0 268.351 2.752 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000925586869 618272219 /nfs/dbraw/zinc/27/22/19/618272219.db2.gz UUISYYGMRBONIQ-UONOGXRCSA-N 2 0 280.387 2.700 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924530042 618273187 /nfs/dbraw/zinc/27/31/87/618273187.db2.gz YWECLHSMVOZVOD-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2cccc(F)c2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925598254 618285937 /nfs/dbraw/zinc/28/59/37/618285937.db2.gz QYFOIHMNWOUWIJ-UHOFOFEASA-N 2 0 294.389 2.874 20 0 CFADRP CCCSC[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000894068310 618304980 /nfs/dbraw/zinc/30/49/80/618304980.db2.gz SAVGQGDXYUGMKI-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610101 618306305 /nfs/dbraw/zinc/30/63/05/618306305.db2.gz YWNIZKYRMUQZRR-VZEFYGNVSA-N 2 0 288.435 2.689 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925613983 618315013 /nfs/dbraw/zinc/31/50/13/618315013.db2.gz GOAYRYFZGAYQRT-JKSUJKDBSA-N 2 0 282.472 2.543 20 0 CFADRP COCCC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925615463 618319078 /nfs/dbraw/zinc/31/90/78/618319078.db2.gz HBQBCCHMKMMTCH-INIZCTEOSA-N 2 0 276.424 2.873 20 0 CFADRP Cc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000067453042 618323683 /nfs/dbraw/zinc/32/36/83/618323683.db2.gz HMNFVLMWJZOWSZ-CALCHBBNSA-N 2 0 290.451 2.974 20 0 CFADRP CSc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925617096 618324880 /nfs/dbraw/zinc/32/48/80/618324880.db2.gz USYISZCIKITYFU-OLZOCXBDSA-N 2 0 279.453 2.799 20 0 CFADRP COC[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C)o1 ZINC000925622027 618339449 /nfs/dbraw/zinc/33/94/49/618339449.db2.gz IJVHNHSTCDYANL-IHRRRGAJSA-N 2 0 280.412 2.771 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1 ZINC000925623860 618343766 /nfs/dbraw/zinc/34/37/66/618343766.db2.gz UHTAEDIQGRUPMH-MOPGFXCFSA-N 2 0 298.430 2.832 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)o1 ZINC000925623845 618343893 /nfs/dbraw/zinc/34/38/93/618343893.db2.gz UBGWAZDECUPRHF-TUKIKUTGSA-N 2 0 262.397 2.769 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@H](CCC[NH3+])c2ccccc2)o1 ZINC000925624189 618346269 /nfs/dbraw/zinc/34/62/69/618346269.db2.gz WDUYGNJUMHWQMU-CVEARBPZSA-N 2 0 288.391 2.691 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCC[NH2+]C1 ZINC000219767535 618349177 /nfs/dbraw/zinc/34/91/77/618349177.db2.gz KWTOCLPYKSJTLY-IAGOWNOFSA-N 2 0 258.409 2.866 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC1(OC)OC)C1CCCCC1 ZINC000926646735 618354759 /nfs/dbraw/zinc/35/47/59/618354759.db2.gz ACYHWGXKDHGDBO-INIZCTEOSA-N 2 0 298.471 2.772 20 0 CFADRP CC(C)OCCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925632858 618364318 /nfs/dbraw/zinc/36/43/18/618364318.db2.gz BQHVKQLMWCGDPY-SJORKVTESA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925635132 618367497 /nfs/dbraw/zinc/36/74/97/618367497.db2.gz MMEFHWCRFDFUGT-WCVJEAGWSA-N 2 0 294.483 2.541 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925634676 618367722 /nfs/dbraw/zinc/36/77/22/618367722.db2.gz JTGKTDDNSOBMEZ-SRMUXQRQSA-N 2 0 292.398 2.761 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925635072 618368304 /nfs/dbraw/zinc/36/83/04/618368304.db2.gz MHBKIGRAKFYLJY-LTIDMASMSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCC1 ZINC000925650667 618401328 /nfs/dbraw/zinc/40/13/28/618401328.db2.gz QOFYYEVOTJUXTK-GJZGRUSLSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C12CCC2 ZINC000925652129 618404551 /nfs/dbraw/zinc/40/45/51/618404551.db2.gz BUGJBSBHBSWPQC-GVAFMPQTSA-N 2 0 274.383 2.931 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1COCC1(C)C ZINC000894179509 618429698 /nfs/dbraw/zinc/42/96/98/618429698.db2.gz DPJUSFUMMUDJRB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)C[C@@H]([NH3+])C1 ZINC000925665106 618430370 /nfs/dbraw/zinc/43/03/70/618430370.db2.gz ILDZWOWHKJWHLF-OAGGEKHMSA-N 2 0 288.435 2.876 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C)CC1)c1nc(C2CC2)no1 ZINC000893346483 618432289 /nfs/dbraw/zinc/43/22/89/618432289.db2.gz RUZCTWZKQJENJC-AWEZNQCLSA-N 2 0 292.427 2.576 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2nsc3ccccc32)CC1 ZINC000895174935 618432496 /nfs/dbraw/zinc/43/24/96/618432496.db2.gz IRLLDESRRDNGJR-UHFFFAOYSA-N 2 0 275.421 2.728 20 0 CFADRP CC(C)[NH+](CCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000924555725 618439556 /nfs/dbraw/zinc/43/95/56/618439556.db2.gz IVLYMIGIKQXRTC-IRXDYDNUSA-N 2 0 281.488 2.712 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925677357 618451111 /nfs/dbraw/zinc/45/11/11/618451111.db2.gz UHEOALHDUFPTMB-JKSUJKDBSA-N 2 0 256.393 2.732 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CSC3)CC2)C1 ZINC000877634975 618451758 /nfs/dbraw/zinc/45/17/58/618451758.db2.gz XFUSUZAXAVMCDL-IUODEOHRSA-N 2 0 268.470 2.735 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)ccc1Cl ZINC000925677180 618453097 /nfs/dbraw/zinc/45/30/97/618453097.db2.gz VSXOQWGZXSIBNW-LSDHHAIUSA-N 2 0 294.826 2.751 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925681779 618464261 /nfs/dbraw/zinc/46/42/61/618464261.db2.gz XSXGDTKVMXABNO-TUAOUCFPSA-N 2 0 296.377 2.840 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cccc(C[NH+](C)C)c1 ZINC000926715456 618474613 /nfs/dbraw/zinc/47/46/13/618474613.db2.gz TXYVMBXLKGCIBS-RRQGHBQHSA-N 2 0 288.435 2.702 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000925684237 618474967 /nfs/dbraw/zinc/47/49/67/618474967.db2.gz FRPCNYXWLDFXNI-VXGBXAGGSA-N 2 0 260.372 2.917 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925685735 618479803 /nfs/dbraw/zinc/47/98/03/618479803.db2.gz OUMOGFBJBQMNAH-IUIKQTSFSA-N 2 0 292.398 2.625 20 0 CFADRP CCC1([NH+]2CCC2)CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000895231749 618485156 /nfs/dbraw/zinc/48/51/56/618485156.db2.gz PDBZDLOJUVSCCZ-UHFFFAOYSA-N 2 0 294.830 2.772 20 0 CFADRP C[C@H](CC[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000895292438 618514752 /nfs/dbraw/zinc/51/47/52/618514752.db2.gz BYBJZRLIYDNGAV-CHWSQXEVSA-N 2 0 252.377 2.859 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895293267 618515536 /nfs/dbraw/zinc/51/55/36/618515536.db2.gz XKINIWVYUFBTAF-VBHSOAQHSA-N 2 0 278.377 2.639 20 0 CFADRP C[C@@H](CC[NH2+]Cc1ccc(-c2cnn(C)c2)s1)[NH+](C)C ZINC000895293763 618516860 /nfs/dbraw/zinc/51/68/60/618516860.db2.gz PTKCHCAMJDQMEW-LBPRGKRZSA-N 2 0 292.452 2.578 20 0 CFADRP CCc1noc(C2CCC([NH2+]CC[C@H](C)[NH+](C)C)CC2)n1 ZINC000895296193 618517795 /nfs/dbraw/zinc/51/77/95/618517795.db2.gz AEFXCLOFSJEBBB-HSBZDZAISA-N 2 0 294.443 2.588 20 0 CFADRP C[C@H](CCNCc1c[nH]c(-c2ccccc2)n1)[NH+](C)C ZINC000895296714 618518663 /nfs/dbraw/zinc/51/86/63/618518663.db2.gz COPCXVSQFVBNHN-CYBMUJFWSA-N 2 0 272.396 2.507 20 0 CFADRP C[NH+](C)CC[C@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000895325264 618534030 /nfs/dbraw/zinc/53/40/30/618534030.db2.gz OOTGSOMZWIAPPB-NSHDSACASA-N 2 0 287.329 2.878 20 0 CFADRP CCCn1nccc1CN1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895381769 618559490 /nfs/dbraw/zinc/55/94/90/618559490.db2.gz WKJSDMZSEBVHDD-WBVHZDCISA-N 2 0 292.471 2.845 20 0 CFADRP COCCCC1(C[NH2+]CC[C@H](C)[NH+](C)C)CCC1 ZINC000895427677 618576934 /nfs/dbraw/zinc/57/69/34/618576934.db2.gz DCCPOAFLHXGJCF-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)c2ccccc21 ZINC000236325808 618617404 /nfs/dbraw/zinc/61/74/04/618617404.db2.gz ZOPJCESBJWXZQV-ROUUACIJSA-N 2 0 264.372 2.888 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000892586564 618643593 /nfs/dbraw/zinc/64/35/93/618643593.db2.gz LNMYANASOOGNQC-CVEARBPZSA-N 2 0 280.362 2.724 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000892590596 618645146 /nfs/dbraw/zinc/64/51/46/618645146.db2.gz VUFVNRNELGWANY-IRXDYDNUSA-N 3 0 295.515 2.676 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)C2(Br)CC2)CC1 ZINC000924578620 618653687 /nfs/dbraw/zinc/65/36/87/618653687.db2.gz PYFREQBTHMEYRF-NSHDSACASA-N 2 0 289.261 2.766 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)COC(C)=O)c1 ZINC000892613220 618654129 /nfs/dbraw/zinc/65/41/29/618654129.db2.gz SKMRMGXQWXMAQT-CQSZACIVSA-N 2 0 292.423 2.570 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000924580611 618665000 /nfs/dbraw/zinc/66/50/00/618665000.db2.gz ACMWABRIIMIYGV-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000892667738 618686082 /nfs/dbraw/zinc/68/60/82/618686082.db2.gz ACVXAMOBLQTZSI-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926816824 618712536 /nfs/dbraw/zinc/71/25/36/618712536.db2.gz PCVBVZAJKXMALX-JKIFEVAISA-N 2 0 278.440 2.948 20 0 CFADRP CC[NH+](CC)[C@H]1CCN(c2cc(C)nc(C3CCC3)n2)C1 ZINC000892730980 618734412 /nfs/dbraw/zinc/73/44/12/618734412.db2.gz ULHKEJURRLACOZ-HNNXBMFYSA-N 2 0 288.439 2.973 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(C)noc2CC)CC1 ZINC000892936314 618773358 /nfs/dbraw/zinc/77/33/58/618773358.db2.gz FKLBCTZHLWQTAJ-UHFFFAOYSA-N 2 0 279.428 2.757 20 0 CFADRP Cc1cccc2oc(CC[NH2+]CC3CC[NH+](C)CC3)nc21 ZINC000893073959 618821703 /nfs/dbraw/zinc/82/17/03/618821703.db2.gz IKCUTDPICWYQLD-UHFFFAOYSA-N 2 0 287.407 2.610 20 0 CFADRP Cc1csc([C@@H]([NH2+]CC2CC[NH+](C)CC2)C2CC2)n1 ZINC000893080932 618824520 /nfs/dbraw/zinc/82/45/20/618824520.db2.gz VEHHKQXTXHLOEH-AWEZNQCLSA-N 2 0 279.453 2.834 20 0 CFADRP Cc1cccc(F)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893085970 618826328 /nfs/dbraw/zinc/82/63/28/618826328.db2.gz JQWIVVVVNPTIMM-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925504415 618832527 /nfs/dbraw/zinc/83/25/27/618832527.db2.gz MPDDJMDAGSBDNF-XEZPLFJOSA-N 2 0 288.439 2.658 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925504824 618832953 /nfs/dbraw/zinc/83/29/53/618832953.db2.gz PGWXMENENUBCGB-SOUVJXGZSA-N 2 0 280.456 2.702 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1cccs1 ZINC000925505944 618834480 /nfs/dbraw/zinc/83/44/80/618834480.db2.gz PXDRKRCVAGWZGY-UKRRQHHQSA-N 2 0 293.480 2.615 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ccccc2)C1 ZINC000925507088 618836418 /nfs/dbraw/zinc/83/64/18/618836418.db2.gz ZQFOJIHCJPQHPB-KBPBESRZSA-N 2 0 262.397 2.561 20 0 CFADRP COc1ccccc1OCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925508686 618841644 /nfs/dbraw/zinc/84/16/44/618841644.db2.gz IIOIXWGIFNWTDG-ZIAGYGMSSA-N 2 0 292.423 2.570 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)Cc1cccs1 ZINC000925514333 618852856 /nfs/dbraw/zinc/85/28/56/618852856.db2.gz DJARZYUQVACEPX-YPMHNXCESA-N 2 0 252.427 2.657 20 0 CFADRP COc1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925515535 618854430 /nfs/dbraw/zinc/85/44/30/618854430.db2.gz UIAAQVPNGRKITQ-KGLIPLIRSA-N 2 0 292.423 2.570 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925515864 618854860 /nfs/dbraw/zinc/85/48/60/618854860.db2.gz JNIQOXKOYNJGGI-HOTGVXAUSA-N 3 0 281.488 2.604 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000925516678 618855548 /nfs/dbraw/zinc/85/55/48/618855548.db2.gz IMZQPNWSUZEEEQ-KFWWJZLASA-N 2 0 296.842 2.869 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925526243 618871592 /nfs/dbraw/zinc/87/15/92/618871592.db2.gz MITBFLLGWSMUOU-MSOLQXFVSA-N 2 0 293.499 2.620 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000893200447 618880641 /nfs/dbraw/zinc/88/06/41/618880641.db2.gz PHMFBGPRPQONMW-KLAILNCOSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000312124873 618885950 /nfs/dbraw/zinc/88/59/50/618885950.db2.gz YQKZLRBHGXXLFZ-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000312124874 618885999 /nfs/dbraw/zinc/88/59/99/618885999.db2.gz YQKZLRBHGXXLFZ-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP Cc1ccc(OC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000312124875 618886153 /nfs/dbraw/zinc/88/61/53/618886153.db2.gz YQKZLRBHGXXLFZ-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000312153676 618887556 /nfs/dbraw/zinc/88/75/56/618887556.db2.gz JPSCVURVAGPCFC-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CC(C)C[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+](C)C ZINC000925536687 618890125 /nfs/dbraw/zinc/89/01/25/618890125.db2.gz QMXOVNINZRINJR-SQNIBIBYSA-N 2 0 295.515 2.721 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCOc2ccc(F)cc2)C12CCC2 ZINC000925537855 618892883 /nfs/dbraw/zinc/89/28/83/618892883.db2.gz OLPYUSJGAWUTTE-HZPDHXFCSA-N 2 0 292.398 2.844 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C12CCC2 ZINC000925544204 618904559 /nfs/dbraw/zinc/90/45/59/618904559.db2.gz YUDPBNSZTRHVAJ-BMFZPTHFSA-N 2 0 272.392 2.760 20 0 CFADRP CSCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000184103944 618912092 /nfs/dbraw/zinc/91/20/92/618912092.db2.gz UXZNHDIUJXJFTP-UONOGXRCSA-N 2 0 258.475 2.982 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925551126 618912398 /nfs/dbraw/zinc/91/23/98/618912398.db2.gz QMZBPJYFKLHIDS-HOTGVXAUSA-N 2 0 274.408 2.623 20 0 CFADRP C[NH+]1[C@@H]2CC[C@H]1CC(N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000893264417 618915232 /nfs/dbraw/zinc/91/52/32/618915232.db2.gz CYVFMLOSCVOWTL-BMSWRWNDSA-N 2 0 299.462 2.647 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000925554696 618918296 /nfs/dbraw/zinc/91/82/96/618918296.db2.gz AZHSZATZYRIEST-KZNAEPCWSA-N 2 0 288.435 2.635 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925556262 618921140 /nfs/dbraw/zinc/92/11/40/618921140.db2.gz GRBNVAKYRRHOEZ-TWMKSMIVSA-N 2 0 293.499 2.604 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925558654 618922964 /nfs/dbraw/zinc/92/29/64/618922964.db2.gz PYECXUFUJGJSGB-JKSUJKDBSA-N 2 0 276.424 2.829 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)C12CCC2 ZINC000925693829 618940177 /nfs/dbraw/zinc/94/01/77/618940177.db2.gz MTXSPJMAQTVIDZ-ZGKBOVNRSA-N 2 0 260.356 2.541 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F)[NH2+]2 ZINC000925698001 618951260 /nfs/dbraw/zinc/95/12/60/618951260.db2.gz ZWILBNWNYKYCCL-MQJOUDLZSA-N 2 0 274.383 2.800 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc2c1C[NH2+]C2 ZINC000925698180 618951630 /nfs/dbraw/zinc/95/16/30/618951630.db2.gz CQXDFPZDQIITPM-RTBURBONSA-N 3 0 299.462 2.548 20 0 CFADRP C[C@H]([NH2+]CCCCCCO)c1cccc(C[NH+](C)C)c1 ZINC000925701238 618954677 /nfs/dbraw/zinc/95/46/77/618954677.db2.gz WBTYIXMAKIIHIW-HNNXBMFYSA-N 2 0 278.440 2.952 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c(C)c1 ZINC000925701980 618955040 /nfs/dbraw/zinc/95/50/40/618955040.db2.gz IWHAJICZGUWIHL-HYVNUMGLSA-N 2 0 287.451 2.607 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C12CCC2 ZINC000925702582 618956100 /nfs/dbraw/zinc/95/61/00/618956100.db2.gz ORQBPUUXWPEHMJ-UAGQMJEPSA-N 2 0 285.435 2.663 20 0 CFADRP C[C@@H]1SCC[C@H]1[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925706366 618961056 /nfs/dbraw/zinc/96/10/56/618961056.db2.gz CODINBZEMIBVRJ-CFVMTHIKSA-N 2 0 264.438 2.950 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)c2ccccc21 ZINC000925710007 618964473 /nfs/dbraw/zinc/96/44/73/618964473.db2.gz PVPZYAVBHJVNOR-SFHVURJKSA-N 2 0 297.446 2.985 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925713012 618967666 /nfs/dbraw/zinc/96/76/66/618967666.db2.gz RJDFWGRSRNCHLM-MXAVVETBSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[C@]1(F)Cl ZINC000925713836 618967921 /nfs/dbraw/zinc/96/79/21/618967921.db2.gz UVYKJJOLBHJZGJ-SRRSOLGSSA-N 2 0 260.784 2.551 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ncc[nH]1 ZINC000925713917 618968349 /nfs/dbraw/zinc/96/83/49/618968349.db2.gz ZHKPKNKSKIKMIZ-OCCSQVGLSA-N 2 0 258.369 2.541 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)CCC2)c1 ZINC000925716391 618974067 /nfs/dbraw/zinc/97/40/67/618974067.db2.gz PQJZSIXTUMVWMV-JKSUJKDBSA-N 2 0 286.419 2.934 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4ccccc43)C[C@@H]2C1 ZINC000931436098 618974793 /nfs/dbraw/zinc/97/47/93/618974793.db2.gz FWSRXPHLIIOMQD-HLLBOEOZSA-N 2 0 256.393 2.557 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccccc1 ZINC000931440016 618975964 /nfs/dbraw/zinc/97/59/64/618975964.db2.gz RZGRPBMLNWKTAR-BHYGNILZSA-N 2 0 258.409 2.674 20 0 CFADRP Clc1csc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257668101 618986936 /nfs/dbraw/zinc/98/69/36/618986936.db2.gz HUSLPPITKRWBDU-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP Fc1cccc(CCCN2CCC[C@]23CC[NH2+]C3)c1 ZINC000257671222 618988545 /nfs/dbraw/zinc/98/85/45/618988545.db2.gz ILQCFORXYYVYIZ-MRXNPFEDSA-N 2 0 262.372 2.586 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000093211550 618989981 /nfs/dbraw/zinc/98/99/81/618989981.db2.gz XUBHLHZFGSMKRK-DLOVCJGASA-N 2 0 254.324 2.885 20 0 CFADRP Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451663 619024303 /nfs/dbraw/zinc/02/43/03/619024303.db2.gz LNPLLHVWSWVBES-ZACQAIPSSA-N 2 0 276.399 2.879 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925731621 619038452 /nfs/dbraw/zinc/03/84/52/619038452.db2.gz MCUDRUROCBCUBS-LJISPDSOSA-N 2 0 280.456 2.558 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925732767 619041280 /nfs/dbraw/zinc/04/12/80/619041280.db2.gz YGRVRPDNHKAUMF-JKSUJKDBSA-N 2 0 282.472 2.807 20 0 CFADRP COCC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925732763 619041297 /nfs/dbraw/zinc/04/12/97/619041297.db2.gz YGRVRPDNHKAUMF-HZPDHXFCSA-N 2 0 282.472 2.807 20 0 CFADRP C[C@H](CC[NH2+]C1CCC(C)(O)CC1)[NH+]1CCCCC1 ZINC000893534838 619042895 /nfs/dbraw/zinc/04/28/95/619042895.db2.gz PPVTVFKYQFONHD-QQFBHYJXSA-N 2 0 268.445 2.534 20 0 CFADRP COC[C@H]([NH2+]CCC(C)(C)[NH3+])c1cccc(Cl)c1 ZINC000925737765 619048559 /nfs/dbraw/zinc/04/85/59/619048559.db2.gz KVQOYZQFTSSTEV-ZDUSSCGKSA-N 2 0 270.804 2.745 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000925739324 619049450 /nfs/dbraw/zinc/04/94/50/619049450.db2.gz VZODEKXCCKNVAG-STQMWFEESA-N 2 0 294.439 2.913 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000258785267 619082508 /nfs/dbraw/zinc/08/25/08/619082508.db2.gz BOSVWSLGGDAOQV-UHFFFAOYSA-N 2 0 250.386 2.691 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000925772976 619088894 /nfs/dbraw/zinc/08/88/94/619088894.db2.gz LLFIEUWPOSKUKV-LTYOYNHOSA-N 2 0 273.424 2.791 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC)cc1 ZINC000925780460 619102010 /nfs/dbraw/zinc/10/20/10/619102010.db2.gz SMXPHZFEMYKALK-ZFWWWQNUSA-N 2 0 298.377 2.981 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000893620136 619103561 /nfs/dbraw/zinc/10/35/61/619103561.db2.gz GRNWKVNNIRGFBF-ZWKOTPCHSA-N 2 0 288.435 2.838 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925788731 619113039 /nfs/dbraw/zinc/11/30/39/619113039.db2.gz BTZFBEVMTJTMQR-NYTXWWLZSA-N 2 0 276.424 2.632 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000925796606 619119133 /nfs/dbraw/zinc/11/91/33/619119133.db2.gz KWVBHUOBVPJIFA-KBRIMQKVSA-N 2 0 258.409 2.973 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925796451 619119224 /nfs/dbraw/zinc/11/92/24/619119224.db2.gz KNDNWASJIITWMQ-VNHYZAJKSA-N 2 0 261.413 2.540 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000925802029 619122724 /nfs/dbraw/zinc/12/27/24/619122724.db2.gz CPBGOKGCNCAHCH-ZTFGCOKTSA-N 2 0 272.436 2.769 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc2ncccc2c1 ZINC000925814330 619132090 /nfs/dbraw/zinc/13/20/90/619132090.db2.gz KQTAEPKNNOHZTL-DLBZAZTESA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000925825305 619146711 /nfs/dbraw/zinc/14/67/11/619146711.db2.gz CWUXKEQEIGXRKI-VNQPRFMTSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H]1NCCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925825250 619146780 /nfs/dbraw/zinc/14/67/80/619146780.db2.gz YRQGNQFVTHCAJY-GYXIZQIFSA-N 2 0 279.472 2.514 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1C ZINC000925826736 619155546 /nfs/dbraw/zinc/15/55/46/619155546.db2.gz IUEFDBNMUPPCFP-TZMCWYRMSA-N 2 0 268.376 2.539 20 0 CFADRP C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893686098 619156909 /nfs/dbraw/zinc/15/69/09/619156909.db2.gz WGIFKLSDGPRBLL-WCQYABFASA-N 2 0 278.362 2.991 20 0 CFADRP C[C@@H]([NH2+]CCc1cnc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000925829770 619160773 /nfs/dbraw/zinc/16/07/73/619160773.db2.gz BCDOKYFLHHKVCT-PBHICJAKSA-N 2 0 283.419 2.755 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925830196 619161112 /nfs/dbraw/zinc/16/11/12/619161112.db2.gz GGSWKGRJYOPADM-GJZGRUSLSA-N 2 0 262.372 2.717 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000925831060 619162120 /nfs/dbraw/zinc/16/21/20/619162120.db2.gz CDBSXJNDUREQRJ-IAGOWNOFSA-N 2 0 284.403 2.860 20 0 CFADRP Cc1cnc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925832817 619163951 /nfs/dbraw/zinc/16/39/51/619163951.db2.gz FFGAAKOIEDKNHH-UONOGXRCSA-N 2 0 261.413 2.694 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925833022 619164526 /nfs/dbraw/zinc/16/45/26/619164526.db2.gz PZSRDJPRZUCHIE-XJKSGUPXSA-N 2 0 276.399 2.964 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925834190 619165467 /nfs/dbraw/zinc/16/54/67/619165467.db2.gz XBUJWGKVZQNKBX-DGAVXFQQSA-N 2 0 290.373 2.943 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000925834876 619166244 /nfs/dbraw/zinc/16/62/44/619166244.db2.gz PBVRVNZYXWGQMK-ZBFHGGJFSA-N 2 0 298.430 2.979 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000925835583 619167200 /nfs/dbraw/zinc/16/72/00/619167200.db2.gz UDJJMGQUTMDOLK-CYDGBPFRSA-N 2 0 294.361 2.594 20 0 CFADRP CC[C@@H]([NH2+]CCc1cccc2oc(C)nc21)[C@@H]1CCC[NH2+]1 ZINC000925838645 619170923 /nfs/dbraw/zinc/17/09/23/619170923.db2.gz MXYIGMOFYVQUPU-CABCVRRESA-N 2 0 287.407 2.799 20 0 CFADRP FC(F)(F)SCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261580359 619172923 /nfs/dbraw/zinc/17/29/23/619172923.db2.gz PYVYLOHGTZVTEV-HBNTYKKESA-N 2 0 282.375 2.750 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261591483 619173684 /nfs/dbraw/zinc/17/36/84/619173684.db2.gz LXUPHJOAIZQFRY-DLBZAZTESA-N 2 0 256.393 2.749 20 0 CFADRP C(CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)CCN1CC[NH2+]CC1 ZINC000925842801 619175736 /nfs/dbraw/zinc/17/57/36/619175736.db2.gz BDAMTWHUZCASHT-QZTJIDSGSA-N 2 0 293.499 2.620 20 0 CFADRP c1ccc(N2CCC([NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)CC2)cc1 ZINC000925842955 619176212 /nfs/dbraw/zinc/17/62/12/619176212.db2.gz LLWWLWCVQYZPNN-RTBURBONSA-N 2 0 299.462 2.777 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925844023 619176511 /nfs/dbraw/zinc/17/65/11/619176511.db2.gz IMLPFNBIXPFCDT-INIZCTEOSA-N 2 0 281.488 2.620 20 0 CFADRP CC[C@H](C)[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261634220 619182190 /nfs/dbraw/zinc/18/21/90/619182190.db2.gz DRNKQXQNAPCILH-LUKYLMHMSA-N 2 0 281.488 2.617 20 0 CFADRP CCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCOCC1 ZINC000261633048 619182332 /nfs/dbraw/zinc/18/23/32/619182332.db2.gz BMXVLDCWONORAU-HOTGVXAUSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000925862296 619188457 /nfs/dbraw/zinc/18/84/57/619188457.db2.gz ZTYJHKOBELSBEX-AGIUHOORSA-N 2 0 254.443 2.535 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875462 619195978 /nfs/dbraw/zinc/19/59/78/619195978.db2.gz HROPDIYXNQMYQS-XPKDYRNWSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000925882673 619201959 /nfs/dbraw/zinc/20/19/59/619201959.db2.gz PODBCUMFQMSKQR-PEYYIBSZSA-N 2 0 262.372 2.920 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CC(C)(C)OC1(C)C ZINC000878550606 619268956 /nfs/dbraw/zinc/26/89/56/619268956.db2.gz ZLIUMQUALOLTEF-OAHLLOKOSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000924961412 619304525 /nfs/dbraw/zinc/30/45/25/619304525.db2.gz VQGWXIIVHQJCNT-NXHRZFHOSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000924961410 619304665 /nfs/dbraw/zinc/30/46/65/619304665.db2.gz VQGWXIIVHQJCNT-NJAFHUGGSA-N 2 0 294.483 2.902 20 0 CFADRP Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924968493 619309937 /nfs/dbraw/zinc/30/99/37/619309937.db2.gz ZIZZXGOFEHLDIO-YESZJQIVSA-N 2 0 286.419 2.986 20 0 CFADRP CC(C)CC[NH+]1CCC(NCC[N@H+](C)C2CCCC2)CC1 ZINC000924969285 619310386 /nfs/dbraw/zinc/31/03/86/619310386.db2.gz IIFPPEGCHXLKBD-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOCC2CC2)CC1 ZINC000925004784 619327460 /nfs/dbraw/zinc/32/74/60/619327460.db2.gz DILIOZWJRIMGFY-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1COCC1(C)C)C(C)C ZINC000894327695 619335285 /nfs/dbraw/zinc/33/52/85/619335285.db2.gz VXWGDURGQRGMNG-CQSZACIVSA-N 2 0 256.434 2.510 20 0 CFADRP CCN1CCCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925030063 619346016 /nfs/dbraw/zinc/34/60/16/619346016.db2.gz UFMMTZNESNHNNS-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566723 619353906 /nfs/dbraw/zinc/35/39/06/619353906.db2.gz XBBSFKDRLOASGQ-LSDHHAIUSA-N 2 0 268.470 2.547 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000894385021 619361969 /nfs/dbraw/zinc/36/19/69/619361969.db2.gz OZNXBJZDZKUPPG-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP C[C@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000262034577 619399147 /nfs/dbraw/zinc/39/91/47/619399147.db2.gz OLGVOCRGVVUDEG-OAHLLOKOSA-N 2 0 258.409 2.866 20 0 CFADRP CCOc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000894497303 619400420 /nfs/dbraw/zinc/40/04/20/619400420.db2.gz WTLICUFKYBMTDX-UKRRQHHQSA-N 2 0 278.396 2.594 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CCC(C)(C)[NH3+] ZINC000310955387 619509909 /nfs/dbraw/zinc/50/99/09/619509909.db2.gz SGTUAISHSNXEJA-LBPRGKRZSA-N 2 0 250.386 2.782 20 0 CFADRP CCC[C@H]1CN(c2cc[nH+]cc2C(F)(F)F)CC[NH2+]1 ZINC000895058613 619537978 /nfs/dbraw/zinc/53/79/78/619537978.db2.gz NFIBREPOJYHQRT-JTQLQIEISA-N 2 0 273.302 2.679 20 0 CFADRP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000895480182 619539714 /nfs/dbraw/zinc/53/97/14/619539714.db2.gz DGHGKLICNLMNLJ-GOOCMWNKSA-N 2 0 266.429 2.551 20 0 CFADRP CCCn1nccc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895683661 619585661 /nfs/dbraw/zinc/58/56/61/619585661.db2.gz RDUCRTOVZBCKDH-UHFFFAOYSA-N 2 0 292.471 2.991 20 0 CFADRP Cn1c(C[N@H+](C)CCCC[NH+]2CCCCC2)cnc1Cl ZINC000895683634 619585747 /nfs/dbraw/zinc/58/57/47/619585747.db2.gz PSPHXUPEYQNDDO-UHFFFAOYSA-N 2 0 298.862 2.771 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000895704717 619586974 /nfs/dbraw/zinc/58/69/74/619586974.db2.gz OMCSFJXLABDYAB-ZWKOTPCHSA-N 2 0 288.435 2.526 20 0 CFADRP COc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)nc1 ZINC000895766994 619600324 /nfs/dbraw/zinc/60/03/24/619600324.db2.gz ZQIFBDIYLAXBJK-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP CC(C)CCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000895845625 619616342 /nfs/dbraw/zinc/61/63/42/619616342.db2.gz PGVJWJLBUHSRFG-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@@H]1Cc2cc(CN3CC[C@H]4[C@H](CC[N@@H+]4C)C3)ccc2O1 ZINC000895843307 619617503 /nfs/dbraw/zinc/61/75/03/619617503.db2.gz OXVFNVATSJIIGH-UNEWFSDZSA-N 2 0 286.419 2.536 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](O)c1ccccc1 ZINC000895948833 619639341 /nfs/dbraw/zinc/63/93/41/619639341.db2.gz RXQHZDZORIITLR-FVAVCCDCSA-N 2 0 288.435 2.713 20 0 CFADRP COC1CCC(C[NH+]2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000896025375 619654998 /nfs/dbraw/zinc/65/49/98/619654998.db2.gz KKZKJXVSBWYAPK-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC000896951933 619903551 /nfs/dbraw/zinc/90/35/51/619903551.db2.gz MUJCPHPJPDXOKB-HIFRSBDPSA-N 2 0 291.464 2.924 20 0 CFADRP C[C@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000303358346 619978246 /nfs/dbraw/zinc/97/82/46/619978246.db2.gz ACTMFDKZCAEKJT-UONOGXRCSA-N 2 0 274.412 2.886 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C(C)(C)CO ZINC000925209871 620024394 /nfs/dbraw/zinc/02/43/94/620024394.db2.gz UKTDRBZUJCZISL-JKSUJKDBSA-N 2 0 292.467 2.894 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925222325 620036372 /nfs/dbraw/zinc/03/63/72/620036372.db2.gz RNIKNBKWUKSVBO-GJEMEMOUSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229310 620049062 /nfs/dbraw/zinc/04/90/62/620049062.db2.gz MZZPXRMYCIDEHP-OTBWCIGPSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000925268375 620141123 /nfs/dbraw/zinc/14/11/23/620141123.db2.gz OKXDIYCVXVEHMR-IIDMSEBBSA-N 2 0 290.451 2.950 20 0 CFADRP COc1ccc2c(NC[C@@H](C)[NH+](C)C)cc[nH+]c2c1 ZINC000785775999 620234785 /nfs/dbraw/zinc/23/47/85/620234785.db2.gz MBRSUYPBEWKLBJ-LLVKDONJSA-N 2 0 259.353 2.605 20 0 CFADRP Cc1c(Cl)cccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000865522440 620249979 /nfs/dbraw/zinc/24/99/79/620249979.db2.gz PMCKDOCVKATSPX-UHFFFAOYSA-N 2 0 264.800 3.000 20 0 CFADRP Cc1scc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1C ZINC000897619969 620261616 /nfs/dbraw/zinc/26/16/16/620261616.db2.gz ASBJFTJQBZAVEU-CABCVRRESA-N 2 0 264.438 2.748 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC23CCCCC3)CC1(C)C ZINC000897726655 620274822 /nfs/dbraw/zinc/27/48/22/620274822.db2.gz BEHYXFQSXPSBNN-CABCVRRESA-N 2 0 280.456 2.941 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCS1 ZINC000897796925 620286856 /nfs/dbraw/zinc/28/68/56/620286856.db2.gz AQGSZGFINVZDBZ-MJBXVCDLSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cncs1 ZINC000897931739 620302075 /nfs/dbraw/zinc/30/20/75/620302075.db2.gz CHQRQYJDQLYUIK-LBPRGKRZSA-N 2 0 288.420 2.858 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@@H]2CCC(F)(F)C2)CC1 ZINC000898015396 620323010 /nfs/dbraw/zinc/32/30/10/620323010.db2.gz XNXLTXUERAJORZ-LBPRGKRZSA-N 2 0 260.372 2.743 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCN1CCC(C)(C)C1 ZINC000898033818 620326741 /nfs/dbraw/zinc/32/67/41/620326741.db2.gz DCIIBVKQFVRUHX-CQSZACIVSA-N 2 0 276.424 2.645 20 0 CFADRP O[C@@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000898204615 620344982 /nfs/dbraw/zinc/34/49/82/620344982.db2.gz XVCSCTQEQVJEGI-KRWDZBQOSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1ncccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000898253148 620357540 /nfs/dbraw/zinc/35/75/40/620357540.db2.gz LYAXSTQTULKTNA-UHFFFAOYSA-N 2 0 296.418 2.586 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCCCCC1 ZINC000898261595 620360311 /nfs/dbraw/zinc/36/03/11/620360311.db2.gz TWBFJADAQAYCIY-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP CCO[C@@H](C[NH2+][C@@H](C)CCC=C(C)C)CN(C)C ZINC000926967035 620434144 /nfs/dbraw/zinc/43/41/44/620434144.db2.gz ZMNNNARFYCPEPO-GJZGRUSLSA-N 2 0 256.434 2.678 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000927030764 620442776 /nfs/dbraw/zinc/44/27/76/620442776.db2.gz KMJDGOHRGOENSP-YRGRVCCFSA-N 2 0 256.459 2.590 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713801 620451078 /nfs/dbraw/zinc/45/10/78/620451078.db2.gz TWWFULDRTWOMBH-IAGOWNOFSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@@H]2CCC[C@@H]21 ZINC000927089473 620451645 /nfs/dbraw/zinc/45/16/45/620451645.db2.gz BKPCPDRCUGXVKC-ULQDDVLXSA-N 2 0 286.419 2.584 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccccn1)C[NH+]1CCCCC1 ZINC000924722664 620454100 /nfs/dbraw/zinc/45/41/00/620454100.db2.gz SYRGUKXRWAJMCX-HOTGVXAUSA-N 2 0 275.440 2.724 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCCC2(C(=O)OC)CCC2)CC1 ZINC000898411187 620459751 /nfs/dbraw/zinc/45/97/51/620459751.db2.gz ANABTHUCJSKSHP-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000924737010 620486926 /nfs/dbraw/zinc/48/69/26/620486926.db2.gz CNBJUAKAQUULAS-RCCFBDPRSA-N 2 0 288.435 2.981 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2(Br)CC2)C1 ZINC000924750109 620522895 /nfs/dbraw/zinc/52/28/95/620522895.db2.gz CSMQURORIXLJEZ-NEPJUHHUSA-N 2 0 289.261 2.624 20 0 CFADRP CCNc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000902079266 620969377 /nfs/dbraw/zinc/96/93/77/620969377.db2.gz RKHSUNACKXUTIG-HOTGVXAUSA-N 2 0 273.424 2.835 20 0 CFADRP CCOCC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902347219 621034102 /nfs/dbraw/zinc/03/41/02/621034102.db2.gz GYDYKQUSXIKCAA-HNNXBMFYSA-N 2 0 286.366 2.761 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCCC1 ZINC000902349029 621034731 /nfs/dbraw/zinc/03/47/31/621034731.db2.gz OUCNSQGUTHJBIX-OAHLLOKOSA-N 2 0 282.472 2.951 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902328361 621037920 /nfs/dbraw/zinc/03/79/20/621037920.db2.gz HHCURPBGPMRDBX-OAHLLOKOSA-N 2 0 276.424 2.742 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902335955 621040797 /nfs/dbraw/zinc/04/07/97/621040797.db2.gz LIHBUUUTQQSUEM-SHARSMKWSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000902336662 621041491 /nfs/dbraw/zinc/04/14/91/621041491.db2.gz ZTBWIJUCRFLNHC-HNNXBMFYSA-N 2 0 264.388 2.736 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902374975 621045496 /nfs/dbraw/zinc/04/54/96/621045496.db2.gz SVIPIRQREJXXSP-MRXNPFEDSA-N 2 0 290.451 2.782 20 0 CFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375834 621046128 /nfs/dbraw/zinc/04/61/28/621046128.db2.gz YNVORLHHGAKLBQ-GJZGRUSLSA-N 2 0 294.439 2.595 20 0 CFADRP CC(C)(C)SCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902352499 621048806 /nfs/dbraw/zinc/04/88/06/621048806.db2.gz LSPBPFZKUOVEBQ-LBPRGKRZSA-N 2 0 258.475 2.886 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2cccc(F)c2F)C1 ZINC000902359674 621052491 /nfs/dbraw/zinc/05/24/91/621052491.db2.gz FVDYIJKXFUTEPW-CYBMUJFWSA-N 2 0 282.378 2.875 20 0 CFADRP [NH3+]CCCC[C@@H]([NH2+][C@H]1CCOC1)c1ccc(F)cc1F ZINC000902363047 621053656 /nfs/dbraw/zinc/05/36/56/621053656.db2.gz TULPKMRSQMIQMP-SWLSCSKDSA-N 2 0 284.350 2.513 20 0 CFADRP [NH3+]CCCC[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(F)cc1F ZINC000902363046 621053971 /nfs/dbraw/zinc/05/39/71/621053971.db2.gz TULPKMRSQMIQMP-IUODEOHRSA-N 2 0 284.350 2.513 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000902365110 621054566 /nfs/dbraw/zinc/05/45/66/621054566.db2.gz WTPBQZQNEDGKSJ-QGZVFWFLSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@@H](NCC1([NH3+])CC1)c1cc(Br)cs1 ZINC000902406053 621055157 /nfs/dbraw/zinc/05/51/57/621055157.db2.gz KIMDOAIYSGMEDP-SSDOTTSWSA-N 2 0 275.215 2.653 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902383253 621059228 /nfs/dbraw/zinc/05/92/28/621059228.db2.gz KDHWYBQACNUWBZ-LBPRGKRZSA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)C1 ZINC000902385046 621060482 /nfs/dbraw/zinc/06/04/82/621060482.db2.gz RAYFWAADHQQFQA-LBPRGKRZSA-N 2 0 299.365 2.551 20 0 CFADRP CC[C@@H](COCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386426 621060650 /nfs/dbraw/zinc/06/06/50/621060650.db2.gz DLSXTVYMDFIDSJ-NWDGAFQWSA-N 2 0 296.377 2.712 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386428 621060763 /nfs/dbraw/zinc/06/07/63/621060763.db2.gz DLSXTVYMDFIDSJ-VXGBXAGGSA-N 2 0 296.377 2.712 20 0 CFADRP COCC1(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902389376 621061509 /nfs/dbraw/zinc/06/15/09/621061509.db2.gz UFXTZFPJJVPQOC-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391143 621062912 /nfs/dbraw/zinc/06/29/12/621062912.db2.gz CNJIVXPMFDXMQA-UONOGXRCSA-N 2 0 270.461 2.805 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393660 621063194 /nfs/dbraw/zinc/06/31/94/621063194.db2.gz SZNWKMJXFSXASQ-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)C1 ZINC000902398926 621066536 /nfs/dbraw/zinc/06/65/36/621066536.db2.gz MBQGIIXMYSFSIP-APHBMKBZSA-N 2 0 274.408 2.533 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)C1 ZINC000902402226 621068318 /nfs/dbraw/zinc/06/83/18/621068318.db2.gz JFCJDCMIJSCWIL-OFQRWUPVSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)CC[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902403268 621068999 /nfs/dbraw/zinc/06/89/99/621068999.db2.gz QSTATXCCYSMPOP-KBPBESRZSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC(F)(F)C1 ZINC000902403865 621069532 /nfs/dbraw/zinc/06/95/32/621069532.db2.gz TVLQRSMHBCGRBZ-LLVKDONJSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428109 621075588 /nfs/dbraw/zinc/07/55/88/621075588.db2.gz BBJASUCRMYHHOL-KFWWJZLASA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])OC1 ZINC000902428968 621075915 /nfs/dbraw/zinc/07/59/15/621075915.db2.gz IQTOKTVAPOTXCY-RRFJBIMHSA-N 2 0 268.445 2.689 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902428740 621076088 /nfs/dbraw/zinc/07/60/88/621076088.db2.gz HIZLQYGFBIPCGU-LSDHHAIUSA-N 2 0 282.472 2.950 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000902428776 621076226 /nfs/dbraw/zinc/07/62/26/621076226.db2.gz HWULLMMBCLLFKG-GXFFZTMASA-N 2 0 268.788 2.566 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000902432784 621077552 /nfs/dbraw/zinc/07/75/52/621077552.db2.gz PVEHYQYWFYDPOQ-UKRRQHHQSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)OC1 ZINC000902432202 621077672 /nfs/dbraw/zinc/07/76/72/621077672.db2.gz VRSHDPYVRBVNQH-QKPAOTATSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C1CCOCC1 ZINC000902431523 621077921 /nfs/dbraw/zinc/07/79/21/621077921.db2.gz MGTPEXZRCDYHBS-ZFWWWQNUSA-N 2 0 268.445 2.546 20 0 CFADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902448028 621090507 /nfs/dbraw/zinc/09/05/07/621090507.db2.gz XCPXXNQGGUIXIQ-ZMXPJYEJSA-N 2 0 280.481 2.779 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000902450344 621091442 /nfs/dbraw/zinc/09/14/42/621091442.db2.gz CYKRXQRNRSEHHV-AGIUHOORSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000902451803 621092136 /nfs/dbraw/zinc/09/21/36/621092136.db2.gz YAFWAWNWAYGGOJ-PVAVHDDUSA-N 2 0 293.499 2.617 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCS1 ZINC000902451051 621092147 /nfs/dbraw/zinc/09/21/47/621092147.db2.gz FBQVMUXICKSUHW-RYUDHWBXSA-N 2 0 254.443 2.535 20 0 CFADRP CC1(C)CCN(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000902453413 621092969 /nfs/dbraw/zinc/09/29/69/621092969.db2.gz CCNLWURBJHKDAO-QGZVFWFLSA-N 2 0 289.467 2.788 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902455757 621094342 /nfs/dbraw/zinc/09/43/42/621094342.db2.gz YWAJSDBKVZFRID-XQQFMLRXSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)C1 ZINC000902464864 621097865 /nfs/dbraw/zinc/09/78/65/621097865.db2.gz DHKHOLFCJKWPBJ-REEYDVFISA-N 2 0 291.483 2.512 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902471333 621101615 /nfs/dbraw/zinc/10/16/15/621101615.db2.gz NNASEKZFIBVXEV-DEORAPPZSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cnc2ccsc2c1 ZINC000902491722 621102868 /nfs/dbraw/zinc/10/28/68/621102868.db2.gz YZVAZFXNHPZOCG-CKYFFXLPSA-N 2 0 261.394 2.684 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902485148 621111127 /nfs/dbraw/zinc/11/11/27/621111127.db2.gz ICWQXETUCWUUQS-DZUCGIPZSA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000902485620 621111499 /nfs/dbraw/zinc/11/14/99/621111499.db2.gz BTEHIUDPJCOQFD-BHDSKKPTSA-N 2 0 295.224 2.763 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000902486729 621111917 /nfs/dbraw/zinc/11/19/17/621111917.db2.gz RQLWFUDDDUTGQY-RRCSTGOVSA-N 2 0 274.408 2.559 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000902486538 621112026 /nfs/dbraw/zinc/11/20/26/621112026.db2.gz AIJQKJBNTGVUFN-GAFUQQFSSA-N 2 0 266.385 2.690 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1Cc3ccc(Cl)cc3C1)[NH2+]2 ZINC000902518365 621115570 /nfs/dbraw/zinc/11/55/70/621115570.db2.gz PWFCEBTUEXQEGG-GFVQHMJJSA-N 2 0 290.838 2.926 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518942 621115770 /nfs/dbraw/zinc/11/57/70/621115770.db2.gz UWNUNWQGFGLDJA-JKSUJKDBSA-N 2 0 280.387 2.844 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[NH+]1CCCCC1 ZINC000902756539 621165727 /nfs/dbraw/zinc/16/57/27/621165727.db2.gz INYUQVUOKAZQMK-SJUNHDGSSA-N 2 0 292.467 2.512 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902791904 621177863 /nfs/dbraw/zinc/17/78/63/621177863.db2.gz ZOHSKBSZKXTAPE-QXDIGNSFSA-N 2 0 292.467 2.512 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CCCCn2ccnc2C)C1 ZINC000902819071 621181117 /nfs/dbraw/zinc/18/11/17/621181117.db2.gz QGQQFKBVWYMATP-JKSUJKDBSA-N 2 0 279.428 2.909 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(-n2ccnc2)c1 ZINC000902896205 621202322 /nfs/dbraw/zinc/20/23/22/621202322.db2.gz HXWNLUSHXWFCBV-OAHLLOKOSA-N 2 0 296.418 2.785 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902944281 621207570 /nfs/dbraw/zinc/20/75/70/621207570.db2.gz DUMVINMFWIHFAB-QDMKHBRRSA-N 2 0 250.430 2.887 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]C[C@@H](C)N(CC)CC)C1 ZINC000902976057 621215866 /nfs/dbraw/zinc/21/58/66/621215866.db2.gz MGIHPHZTXUWZNK-ILXRZTDVSA-N 2 0 256.434 2.654 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000903018113 621222550 /nfs/dbraw/zinc/22/25/50/621222550.db2.gz XKIBRJWWUIYALD-ZBFHGGJFSA-N 2 0 273.380 2.772 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCOC23CCCC3)c1 ZINC000903061826 621237646 /nfs/dbraw/zinc/23/76/46/621237646.db2.gz KPUIRJNHTNHCJB-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000903069096 621249257 /nfs/dbraw/zinc/24/92/57/621249257.db2.gz QYFOMYUNNQDODG-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103835 621253820 /nfs/dbraw/zinc/25/38/20/621253820.db2.gz ASVAZBLHRFXBBJ-UNPWZGGWSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@H](C[C@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110211 621256748 /nfs/dbraw/zinc/25/67/48/621256748.db2.gz AWNINKPWRHOWCO-VGWXVEKNSA-N 2 0 278.440 2.549 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903113640 621259561 /nfs/dbraw/zinc/25/95/61/621259561.db2.gz PWOZZNRQXSIJKF-LRVKYRPXSA-N 2 0 292.467 2.937 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903112270 621259585 /nfs/dbraw/zinc/25/95/85/621259585.db2.gz GRPFPBUNYVBYFE-VGWXVEKNSA-N 2 0 278.440 2.549 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903130986 621263660 /nfs/dbraw/zinc/26/36/60/621263660.db2.gz GLWPGUUCYKTNAD-YPLXDCDNSA-N 2 0 292.467 2.793 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCOC1 ZINC000903146990 621268377 /nfs/dbraw/zinc/26/83/77/621268377.db2.gz LPNIVSZQCZMTBS-VUZHLFFPSA-N 2 0 278.440 2.549 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCCSC1 ZINC000903172463 621274369 /nfs/dbraw/zinc/27/43/69/621274369.db2.gz YUQKKJIDAYRTHM-WYQXTGKHSA-N 2 0 280.481 2.877 20 0 CFADRP CC[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903180250 621276774 /nfs/dbraw/zinc/27/67/74/621276774.db2.gz YPBUFIQIQQUUOX-WDVRLDOZSA-N 2 0 266.429 2.549 20 0 CFADRP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903167664 621279064 /nfs/dbraw/zinc/27/90/64/621279064.db2.gz NUFZOAVYPFCPCT-VHRNVKJDSA-N 2 0 278.440 2.551 20 0 CFADRP COC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903196967 621282229 /nfs/dbraw/zinc/28/22/29/621282229.db2.gz SVCOZKOQDXPEHU-FHFCWBRESA-N 2 0 278.440 2.549 20 0 CFADRP CC(C)(F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903201345 621284277 /nfs/dbraw/zinc/28/42/77/621284277.db2.gz XYCDCMSXUJENOM-QXMXGUDHSA-N 2 0 254.393 2.872 20 0 CFADRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc(C)n1 ZINC000903189738 621285799 /nfs/dbraw/zinc/28/57/99/621285799.db2.gz HOGJSWROEOSBKA-ZNXRZULTSA-N 2 0 285.435 2.946 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903189754 621286257 /nfs/dbraw/zinc/28/62/57/621286257.db2.gz HVCTVDXYAZLFRV-SMMMKCNCSA-N 2 0 278.440 2.691 20 0 CFADRP C(C[C@H]1CCSC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903208968 621288616 /nfs/dbraw/zinc/28/86/16/621288616.db2.gz COQIOXJBXZAFLP-WYQXTGKHSA-N 2 0 280.481 2.877 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CC2(CCC2)CO1 ZINC000903220890 621292724 /nfs/dbraw/zinc/29/27/24/621292724.db2.gz NQFLQOCWUULFFP-CVGRLMLNSA-N 2 0 290.451 2.693 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000903253155 621299956 /nfs/dbraw/zinc/29/99/56/621299956.db2.gz JCDFUXPOEHLTCV-JCCCHCCOSA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000903284395 621305778 /nfs/dbraw/zinc/30/57/78/621305778.db2.gz QQDWKRIJNZCXMR-JGBLPLOYSA-N 2 0 290.451 2.549 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@@H]2CCC[C@@H]21 ZINC000903323325 621323379 /nfs/dbraw/zinc/32/33/79/621323379.db2.gz JOVLALQABNAPFL-BFKWJSRZSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)C1CC[NH+](C)CC1 ZINC000903338469 621333991 /nfs/dbraw/zinc/33/39/91/621333991.db2.gz IDYPUJNUZALCNI-GUYCJALGSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903394718 621352861 /nfs/dbraw/zinc/35/28/61/621352861.db2.gz GFIOHUZLBSSZMV-YQFWSFKMSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)C1 ZINC000903434822 621373743 /nfs/dbraw/zinc/37/37/43/621373743.db2.gz KXNJTVVYDHONIO-XOYOTBSWSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000903437352 621374977 /nfs/dbraw/zinc/37/49/77/621374977.db2.gz GQUUOBLFOQKMHD-KBMXLJTQSA-N 2 0 276.449 2.632 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903438488 621375456 /nfs/dbraw/zinc/37/54/56/621375456.db2.gz WPHSEDMPYSCXMD-UKPHBRMFSA-N 2 0 258.409 2.851 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)CO1 ZINC000903439512 621376212 /nfs/dbraw/zinc/37/62/12/621376212.db2.gz JDXANDDCSBNEHB-TXCZRRACSA-N 2 0 274.408 2.576 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440473 621377445 /nfs/dbraw/zinc/37/74/45/621377445.db2.gz ZDZWTRQXEHFYTJ-JHNDHUHGSA-N 2 0 258.409 2.992 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903422838 621378940 /nfs/dbraw/zinc/37/89/40/621378940.db2.gz JSUUPWAWAVFNRO-BPLDGKMQSA-N 2 0 280.362 2.577 20 0 CFADRP C[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)[C@@H]1C[NH3+] ZINC000903424956 621379556 /nfs/dbraw/zinc/37/95/56/621379556.db2.gz NDOWKGIZMQASRU-MLGOLLRUSA-N 2 0 257.381 2.727 20 0 CFADRP CC[NH+](CC)CCCC1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903457552 621380085 /nfs/dbraw/zinc/38/00/85/621380085.db2.gz WVBVUPNDPXGBCD-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000903460392 621381078 /nfs/dbraw/zinc/38/10/78/621381078.db2.gz AENRXHJGBCKOLE-OCCSQVGLSA-N 2 0 294.389 3.000 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)C[C@@H]21 ZINC000903463817 621381704 /nfs/dbraw/zinc/38/17/04/621381704.db2.gz OJOYNQAINSEBCC-QCEMKRCNSA-N 2 0 298.421 2.989 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000903463612 621381836 /nfs/dbraw/zinc/38/18/36/621381836.db2.gz GTIVXLZOMSMWRJ-QCEMKRCNSA-N 2 0 298.421 2.989 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000903464854 621382109 /nfs/dbraw/zinc/38/21/09/621382109.db2.gz YTNYWZJXHJRKHC-DZGCQCFKSA-N 2 0 292.398 2.796 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000903444231 621383345 /nfs/dbraw/zinc/38/33/45/621383345.db2.gz QFAYXCGFBXMVOL-UWWQBHOKSA-N 2 0 287.451 2.745 20 0 CFADRP [NH3+]C1(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCC1 ZINC000903447096 621385076 /nfs/dbraw/zinc/38/50/76/621385076.db2.gz DJHPYJZWDCUSMZ-CHWSQXEVSA-N 2 0 266.335 2.506 20 0 CFADRP FC1(F)[C@@H](CN2CC[C@H]3[NH2+]CC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000903452036 621386972 /nfs/dbraw/zinc/38/69/72/621386972.db2.gz GRSUXCQNLNHSDE-JONQDZQNSA-N 2 0 292.373 2.719 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481922 621392039 /nfs/dbraw/zinc/39/20/39/621392039.db2.gz QKAMLWVFTYUFJD-AEFFLSMTSA-N 2 0 290.451 2.879 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCOC2CC2)C1)C1CCCC1 ZINC000903482519 621392313 /nfs/dbraw/zinc/39/23/13/621392313.db2.gz KATISTXQPAVGHU-YOEHRIQHSA-N 2 0 280.456 2.785 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497263 621394753 /nfs/dbraw/zinc/39/47/53/621394753.db2.gz RWGVUAUTJMNDJM-HUUCEWRRSA-N 2 0 276.424 2.891 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000903565968 621396610 /nfs/dbraw/zinc/39/66/10/621396610.db2.gz WEGPJDUCCVHEPV-CQSZACIVSA-N 2 0 281.469 2.917 20 0 CFADRP c1csc(C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903565839 621396622 /nfs/dbraw/zinc/39/66/22/621396622.db2.gz SQDBXZJGVJTFNG-HUUCEWRRSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000903716717 621424931 /nfs/dbraw/zinc/42/49/31/621424931.db2.gz QIRUWJWGQPZXBX-WCFLWFBJSA-N 2 0 294.361 2.546 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903718654 621425122 /nfs/dbraw/zinc/42/51/22/621425122.db2.gz QHTBXFSVFDUYRT-QGZVFWFLSA-N 2 0 288.435 2.586 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718193 621425433 /nfs/dbraw/zinc/42/54/33/621425433.db2.gz IETIGWDWGDCIAR-ROUUACIJSA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCC1 ZINC000903721686 621426263 /nfs/dbraw/zinc/42/62/63/621426263.db2.gz DFMSIOONMHHRLB-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cc([C@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)on1 ZINC000903723637 621426949 /nfs/dbraw/zinc/42/69/49/621426949.db2.gz XHVXFBIWUPNIKY-ZIAGYGMSSA-N 2 0 263.385 2.510 20 0 CFADRP CCC(CC)C[N@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725152 621427579 /nfs/dbraw/zinc/42/75/79/621427579.db2.gz XIZBEBXCWRVAPJ-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+](CC1CCCCC1)C1CC1 ZINC000903723834 621427631 /nfs/dbraw/zinc/42/76/31/621427631.db2.gz YNAQSXYLYZVKJI-MSOLQXFVSA-N 2 0 292.467 2.800 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+](C1CC1)C1CCCCC1 ZINC000903725311 621427639 /nfs/dbraw/zinc/42/76/39/621427639.db2.gz YQIYPPRMTLKAFO-DLBZAZTESA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728405 621428991 /nfs/dbraw/zinc/42/89/91/621428991.db2.gz AMPOBIHRBLTLAX-RYRKJORJSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903730404 621429637 /nfs/dbraw/zinc/42/96/37/621429637.db2.gz WCZPIXVJRXVEPB-IKGGRYGDSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732600 621430220 /nfs/dbraw/zinc/43/02/20/621430220.db2.gz GSLLEOGZWBGNNG-ULQDDVLXSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[N@H+](C)C[C@H]1CCCC[NH2+]C1)c1nccs1 ZINC000903752925 621433016 /nfs/dbraw/zinc/43/30/16/621433016.db2.gz QGTQEKAEHAVFFA-OLZOCXBDSA-N 2 0 267.442 2.568 20 0 CFADRP FCc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000903742509 621434910 /nfs/dbraw/zinc/43/49/10/621434910.db2.gz BMYDQTODXXPYEI-UHFFFAOYSA-N 2 0 262.372 2.732 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903759844 621436046 /nfs/dbraw/zinc/43/60/46/621436046.db2.gz RYDKPZLFOBNUNK-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2CF)C[C@H]1C[NH3+] ZINC000903760985 621436153 /nfs/dbraw/zinc/43/61/53/621436153.db2.gz MIZSHLCFYURZQJ-XJKCOSOUSA-N 2 0 264.388 2.961 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903766569 621437303 /nfs/dbraw/zinc/43/73/03/621437303.db2.gz AKDXGUIOKONOGE-UHFFFAOYSA-N 2 0 250.361 2.717 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000903758746 621438487 /nfs/dbraw/zinc/43/84/87/621438487.db2.gz LWUHHKFTEMGIJK-HZPDHXFCSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000903758747 621438666 /nfs/dbraw/zinc/43/86/66/621438666.db2.gz LWUHHKFTEMGIJK-JKSUJKDBSA-N 2 0 298.434 2.913 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903756168 621438811 /nfs/dbraw/zinc/43/88/11/621438811.db2.gz PFNKRCPPHUUXFW-AEFFLSMTSA-N 2 0 287.451 2.953 20 0 CFADRP Nc1cccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000903792523 621438954 /nfs/dbraw/zinc/43/89/54/621438954.db2.gz CRIOJLCDHMAWHX-UHFFFAOYSA-N 2 0 295.430 2.761 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC2CCC2)CC1 ZINC000903792766 621439555 /nfs/dbraw/zinc/43/95/55/621439555.db2.gz IVRXIGYQVOZIKJ-UHFFFAOYSA-N 2 0 258.409 2.779 20 0 CFADRP C/C=C\C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775821 621440044 /nfs/dbraw/zinc/44/00/44/621440044.db2.gz ORLVDTDCKBAMNL-SNSIWUOESA-N 2 0 292.467 2.823 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903777371 621440209 /nfs/dbraw/zinc/44/02/09/621440209.db2.gz APSLKXMBDZMICS-KURKYZTESA-N 2 0 292.467 2.657 20 0 CFADRP c1ccc2c(c1)C[N@H+](C[C@@H]1CCCC[NH2+]C1)C[C@H]1CCCN21 ZINC000903784251 621441538 /nfs/dbraw/zinc/44/15/38/621441538.db2.gz MMSRTWBLJFEYCQ-SJLPKXTDSA-N 2 0 299.462 2.861 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903788303 621442202 /nfs/dbraw/zinc/44/22/02/621442202.db2.gz IAWRUWQUZSQFKR-LLVKDONJSA-N 2 0 286.778 2.529 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@@H](O)CC2CCCC2)CCC1 ZINC000903811572 621446641 /nfs/dbraw/zinc/44/66/41/621446641.db2.gz NKMIYTODQIVQFF-DLBZAZTESA-N 2 0 294.483 2.911 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCCOC(F)(F)F)CCC1 ZINC000903811590 621447038 /nfs/dbraw/zinc/44/70/38/621447038.db2.gz NNTOUIMFKJYVTI-GFCCVEGCSA-N 2 0 294.361 2.896 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812987 621447588 /nfs/dbraw/zinc/44/75/88/621447588.db2.gz WSJGVRZONLXBJS-HNNXBMFYSA-N 2 0 296.455 2.703 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC[C@@H]2CCCO2)CCC1 ZINC000903813221 621447595 /nfs/dbraw/zinc/44/75/95/621447595.db2.gz ZETSEIFZZMROSZ-LSDHHAIUSA-N 2 0 266.429 2.539 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818902 621448122 /nfs/dbraw/zinc/44/81/22/621448122.db2.gz XTCZXEKOJIIQSO-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818903 621448358 /nfs/dbraw/zinc/44/83/58/621448358.db2.gz XTCZXEKOJIIQSO-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cccc(C)c1C[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903826547 621450646 /nfs/dbraw/zinc/45/06/46/621450646.db2.gz LRGMPZANGOCNCE-AEFFLSMTSA-N 2 0 288.435 2.504 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC[NH2+]C1 ZINC000903831297 621451672 /nfs/dbraw/zinc/45/16/72/621451672.db2.gz HEXYBTVKUICBPN-PNRVRQOCSA-N 2 0 268.420 2.979 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000903841429 621453225 /nfs/dbraw/zinc/45/32/25/621453225.db2.gz XUWHHFOLHQWMLK-LOWDOPEQSA-N 2 0 258.356 2.624 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOc1cccc(Cl)c1)C2 ZINC000903844709 621454921 /nfs/dbraw/zinc/45/49/21/621454921.db2.gz BICLLHHJFGWFRV-QEJZJMRPSA-N 2 0 294.826 2.921 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903874590 621462294 /nfs/dbraw/zinc/46/22/94/621462294.db2.gz FGXMAAMRSCELQI-GVDBMIGSSA-N 2 0 280.456 2.515 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1)C1CC[NH2+]CC1 ZINC000903876527 621462923 /nfs/dbraw/zinc/46/29/23/621462923.db2.gz YTTWSNQUFMOTOQ-DLBZAZTESA-N 2 0 280.456 2.515 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)nc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903879348 621463256 /nfs/dbraw/zinc/46/32/56/621463256.db2.gz ZFTXTDPADZTQKI-AGUYFDCRSA-N 2 0 279.815 2.697 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903885070 621464505 /nfs/dbraw/zinc/46/45/05/621464505.db2.gz COKCSLGEMIVMLD-AYHJJNSGSA-N 3 0 293.499 2.569 20 0 CFADRP Fc1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903893508 621465045 /nfs/dbraw/zinc/46/50/45/621465045.db2.gz XENRYPBFKFNAED-MYFMFCSTSA-N 2 0 274.383 2.714 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903895003 621465624 /nfs/dbraw/zinc/46/56/24/621465624.db2.gz JHKIKYGSBQMFQF-HILARFPUSA-N 2 0 270.420 2.964 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000903895429 621465849 /nfs/dbraw/zinc/46/58/49/621465849.db2.gz NRMOYTLHJOOOMI-GWONACJQSA-N 2 0 280.456 2.652 20 0 CFADRP c1cc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cs1 ZINC000903896733 621466559 /nfs/dbraw/zinc/46/65/59/621466559.db2.gz DWNZNNMAHLOVQA-WDVRLDOZSA-N 2 0 292.448 2.652 20 0 CFADRP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)CC(C)(C)C)cnn1C ZINC000903899200 621466841 /nfs/dbraw/zinc/46/68/41/621466841.db2.gz QPKSDYXXPHKQCO-CQSZACIVSA-N 2 0 294.487 2.650 20 0 CFADRP Cc1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)nc1 ZINC000903909506 621471019 /nfs/dbraw/zinc/47/10/19/621471019.db2.gz VNMLQJAVMIQYKG-UHFFFAOYSA-N 2 0 281.403 2.668 20 0 CFADRP C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2C[NH2+]1 ZINC000903919982 621472955 /nfs/dbraw/zinc/47/29/55/621472955.db2.gz QQYCPLVRJMBING-ZBSSRIJBSA-N 2 0 285.435 2.515 20 0 CFADRP c1cc2c(cc1C[NH2+]CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCN2 ZINC000903920221 621473066 /nfs/dbraw/zinc/47/30/66/621473066.db2.gz RSUGBDCKCCSGOX-ZXFUBFMLSA-N 2 0 285.435 2.665 20 0 CFADRP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903918369 621473071 /nfs/dbraw/zinc/47/30/71/621473071.db2.gz XVJMNTGOLMKTTP-OFIBSPLFSA-N 2 0 276.346 2.790 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000903939407 621475671 /nfs/dbraw/zinc/47/56/71/621475671.db2.gz ZNPVTUNQSJWIRL-UHFFFAOYSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@]1([NH2+]Cc2cccc3c2CC[NH2+]C3)CC=CCC1 ZINC000903929583 621475702 /nfs/dbraw/zinc/47/57/02/621475702.db2.gz GYKZFKQMVGUTTM-KRWDZBQOSA-N 2 0 256.393 2.921 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903932421 621476380 /nfs/dbraw/zinc/47/63/80/621476380.db2.gz QYKMWNOFMXOAKQ-MRXNPFEDSA-N 2 0 290.451 2.873 20 0 CFADRP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@H]1CC2CCC1CC2 ZINC000903932187 621476786 /nfs/dbraw/zinc/47/67/86/621476786.db2.gz NYTROCYAEREYLV-UHYZFRFASA-N 2 0 260.372 2.773 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccncc1 ZINC000903934965 621477510 /nfs/dbraw/zinc/47/75/10/621477510.db2.gz KNUMDAHRTOMPLN-AWEZNQCLSA-N 2 0 281.403 2.621 20 0 CFADRP C([NH2+]C1([C@@H]2CCCCO2)CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937990 621478262 /nfs/dbraw/zinc/47/82/62/621478262.db2.gz WTHRIVYIQCKQNN-UYTSQGDYSA-N 2 0 278.440 2.598 20 0 CFADRP C[C@H]([NH3+])c1ccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000903918263 621478576 /nfs/dbraw/zinc/47/85/76/621478576.db2.gz VYDMTNINIVHNIS-KPGMEVQCSA-N 2 0 259.397 2.649 20 0 CFADRP C[C@H]([NH3+])c1ccc(NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903917476 621478810 /nfs/dbraw/zinc/47/88/10/621478810.db2.gz MBQHVFWVIXJQJF-ZDUSSCGKSA-N 2 0 281.403 2.964 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000903959725 621480222 /nfs/dbraw/zinc/48/02/22/621480222.db2.gz NAPWVWXNMNSOTG-GOSISDBHSA-N 2 0 286.419 2.587 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000903947940 621485781 /nfs/dbraw/zinc/48/57/81/621485781.db2.gz IZOXPEYTMVGXFG-GMEATFMZSA-N 2 0 262.372 2.872 20 0 CFADRP CCC1([NH3+])CCN([C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000903948606 621485858 /nfs/dbraw/zinc/48/58/58/621485858.db2.gz SFJWROBWCRVJGH-HUUCEWRRSA-N 2 0 267.461 2.501 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3cc(F)c(F)cc3C2)CC[NH2+]1 ZINC000903948146 621485910 /nfs/dbraw/zinc/48/59/10/621485910.db2.gz LRGYIHABUDPFHM-NWDGAFQWSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956013 621490469 /nfs/dbraw/zinc/49/04/69/621490469.db2.gz FIEXUKCWKPWVKA-DGCLKSJQSA-N 2 0 286.341 2.591 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956732 621491014 /nfs/dbraw/zinc/49/10/14/621491014.db2.gz NRFZNZXQOFQWSA-JQWIXIFHSA-N 2 0 274.380 2.514 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973366 621492181 /nfs/dbraw/zinc/49/21/81/621492181.db2.gz APIKGUFIUKQAHO-IJEWVQPXSA-N 2 0 278.415 2.982 20 0 CFADRP COc1ccc2oc(C[NH2+]CC[C@@H]3C[NH2+]C[C@H]3C)cc2c1 ZINC000903975065 621492859 /nfs/dbraw/zinc/49/28/59/621492859.db2.gz VTCXCKWNAWWHNJ-CHWSQXEVSA-N 2 0 288.391 2.777 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974449 621493053 /nfs/dbraw/zinc/49/30/53/621493053.db2.gz NCEPNYUUYDVGMZ-YRGRVCCFSA-N 2 0 252.427 2.514 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1OC ZINC000903976820 621493369 /nfs/dbraw/zinc/49/33/69/621493369.db2.gz CBVNZHAGEXBGAP-UKRRQHHQSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@@H]1C[N@H+](CCSCc2ccccc2)C[C@H]1CC[NH3+] ZINC000903977894 621494073 /nfs/dbraw/zinc/49/40/73/621494073.db2.gz CHFNCOBAVQAYNG-GDBMZVCRSA-N 2 0 278.465 2.837 20 0 CFADRP Cc1ccc(CN2C[C@@H]([NH3+])C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000903986961 621498796 /nfs/dbraw/zinc/49/87/96/621498796.db2.gz VECWGWVHWUQAHR-QGZVFWFLSA-N 2 0 298.434 2.565 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904302003 621568640 /nfs/dbraw/zinc/56/86/40/621568640.db2.gz SLZFLIHNPWDKGL-IVMMDQJWSA-N 2 0 260.381 2.569 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCCO2 ZINC000904301743 621568859 /nfs/dbraw/zinc/56/88/59/621568859.db2.gz QFBIQYIHAVENOG-ALOPSCKCSA-N 2 0 286.419 2.856 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(CCc3ccc(O)cc3)CC2)C1 ZINC000904306041 621569286 /nfs/dbraw/zinc/56/92/86/621569286.db2.gz YTZGRDWXJQYQKD-CALCHBBNSA-N 2 0 288.435 2.774 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000904307048 621569492 /nfs/dbraw/zinc/56/94/92/621569492.db2.gz JDTNKZPMFCGRCL-ZIAGYGMSSA-N 2 0 268.445 2.641 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)C1 ZINC000904311577 621570936 /nfs/dbraw/zinc/57/09/36/621570936.db2.gz FIOZWFYDWCCZER-VNQPRFMTSA-N 2 0 262.372 2.570 20 0 CFADRP C[C@@]1(C[N@@H+]2CCCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000904313622 621571662 /nfs/dbraw/zinc/57/16/62/621571662.db2.gz XBTRLROSJWKFGG-GOSISDBHSA-N 2 0 287.451 2.588 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@H+](C2CC2)[C@H]2CCc3ccccc32)C1 ZINC000904313724 621571811 /nfs/dbraw/zinc/57/18/11/621571811.db2.gz YRPNHJJEIXJHBO-QEORTHHSSA-N 2 0 256.393 2.876 20 0 CFADRP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904318767 621572896 /nfs/dbraw/zinc/57/28/96/621572896.db2.gz VROINIJLYPUGMT-IJEWVQPXSA-N 2 0 274.408 2.960 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904322395 621574037 /nfs/dbraw/zinc/57/40/37/621574037.db2.gz BFFHTYCQWDKSGC-MAUKXSAKSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322626 621574069 /nfs/dbraw/zinc/57/40/69/621574069.db2.gz FUHCULUYFPJBHS-KYOSRNDESA-N 2 0 266.816 2.940 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904322397 621574444 /nfs/dbraw/zinc/57/44/44/621574444.db2.gz BFFHTYCQWDKSGC-QAPCUYQASA-N 2 0 288.435 2.874 20 0 CFADRP C[C@H]1C[C@@H](c2ccccc2F)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904324122 621575526 /nfs/dbraw/zinc/57/55/26/621575526.db2.gz VNZUWZCYSLOXDF-JFILPPLUSA-N 2 0 262.372 2.946 20 0 CFADRP Cc1csc(C2([NH2+]C[C@H]3C[C@@H]([NH3+])C3)CCCC2)n1 ZINC000904328136 621576052 /nfs/dbraw/zinc/57/60/52/621576052.db2.gz AIRIEJNZPIXSQL-TXEJJXNPSA-N 2 0 265.426 2.548 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904326979 621576389 /nfs/dbraw/zinc/57/63/89/621576389.db2.gz VPLFMJBFHSUAAM-BMFZPTHFSA-N 2 0 276.424 2.543 20 0 CFADRP C[C@H](C[N@H+](C)C[C@@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000904331434 621576753 /nfs/dbraw/zinc/57/67/53/621576753.db2.gz HSASAVGADKORNA-OCCSQVGLSA-N 2 0 267.442 2.568 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1C ZINC000904340329 621578418 /nfs/dbraw/zinc/57/84/18/621578418.db2.gz HIVOAAREGIYFCT-KKUMJFAQSA-N 2 0 269.477 2.555 20 0 CFADRP CC[NH2+]Cc1cccc(NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000904354007 621580901 /nfs/dbraw/zinc/58/09/01/621580901.db2.gz TZYOBKAPZPZANJ-INIZCTEOSA-N 2 0 261.413 2.598 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000904354584 621581660 /nfs/dbraw/zinc/58/16/60/621581660.db2.gz DMXMWNOWWGZBOE-WBVHZDCISA-N 2 0 289.467 2.617 20 0 CFADRP CC[NH2+]Cc1ccccc1NCc1ccc(C[NH3+])cc1 ZINC000904354405 621581916 /nfs/dbraw/zinc/58/19/16/621581916.db2.gz XICJYXMLDBXIEE-UHFFFAOYSA-N 2 0 269.392 2.867 20 0 CFADRP C[C@]1(C[NH2+]CCCc2cccc(F)c2)CCC[NH2+]C1 ZINC000904359594 621582535 /nfs/dbraw/zinc/58/25/35/621582535.db2.gz CMUZLKOEGJZJTM-MRXNPFEDSA-N 2 0 264.388 2.738 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904360661 621583147 /nfs/dbraw/zinc/58/31/47/621583147.db2.gz NNDMHFXRMKCVRP-RBJWDRSHSA-N 2 0 282.815 2.743 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CC(C[NH3+])C1 ZINC000904360662 621583221 /nfs/dbraw/zinc/58/32/21/621583221.db2.gz NNDMHFXRMKCVRP-WXUJTKTDSA-N 2 0 282.815 2.743 20 0 CFADRP COc1cc(CC[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1C ZINC000904366638 621585963 /nfs/dbraw/zinc/58/59/63/621585963.db2.gz NQVYQRVXEXSCNI-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904366367 621586105 /nfs/dbraw/zinc/58/61/05/621586105.db2.gz IRVHOOPMNHLVKH-GOSISDBHSA-N 3 0 295.515 2.724 20 0 CFADRP [NH3+]CC1CC([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000904366836 621586116 /nfs/dbraw/zinc/58/61/16/621586116.db2.gz QVRKCNLNSYIFEF-MOKVOYLWSA-N 2 0 293.842 2.636 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000904392296 621586540 /nfs/dbraw/zinc/58/65/40/621586540.db2.gz OZLPGIQOTGLTJB-BBOMDTFKSA-N 2 0 286.419 2.530 20 0 CFADRP C[C@@]1(C[NH+]2CCC(c3ccco3)CC2)CCC[NH2+]C1 ZINC000904377230 621587711 /nfs/dbraw/zinc/58/77/11/621587711.db2.gz LHSBUPFVYBMSNV-MRXNPFEDSA-N 2 0 262.397 2.849 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC000904380465 621588347 /nfs/dbraw/zinc/58/83/47/621588347.db2.gz CPGMDLSCAWBJKC-WJONMLJTSA-N 2 0 284.325 2.801 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000904405863 621590113 /nfs/dbraw/zinc/59/01/13/621590113.db2.gz QPSMCONAGTUZMB-CHWSQXEVSA-N 2 0 250.361 2.600 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000904405878 621590556 /nfs/dbraw/zinc/59/05/56/621590556.db2.gz RCPCVTXELVXYLY-MRXNPFEDSA-N 2 0 276.424 2.906 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1Cl ZINC000904405162 621590571 /nfs/dbraw/zinc/59/05/71/621590571.db2.gz GCJORDJRCUYLQZ-GFCCVEGCSA-N 2 0 252.789 2.819 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@@H]1C[NH3+] ZINC000904409869 621591165 /nfs/dbraw/zinc/59/11/65/621591165.db2.gz AFANDPCLGLCBCO-DGCLKSJQSA-N 2 0 279.453 2.827 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@@H]1C[NH3+] ZINC000904409380 621591195 /nfs/dbraw/zinc/59/11/95/621591195.db2.gz ASQVAJXFCUYWIT-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904410474 621591725 /nfs/dbraw/zinc/59/17/25/621591725.db2.gz FUBXJYGDXGBSTR-NWDGAFQWSA-N 2 0 267.442 2.683 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)ccc2n1 ZINC000904411323 621592449 /nfs/dbraw/zinc/59/24/49/621592449.db2.gz UQQPWQNSBVWWKT-GUYCJALGSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1C[N@H+](Cc2coc3ccccc23)CC[C@H]1C[NH3+] ZINC000904411562 621592672 /nfs/dbraw/zinc/59/26/72/621592672.db2.gz NKXFZJFFGQYYNS-STQMWFEESA-N 2 0 258.365 2.850 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)ccc1F ZINC000904411063 621592717 /nfs/dbraw/zinc/59/27/17/621592717.db2.gz JAQJZZSLKKQJCC-TZMCWYRMSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@H]1C[NH3+] ZINC000904411615 621592828 /nfs/dbraw/zinc/59/28/28/621592828.db2.gz ODUUYMFHDBOWMW-KGLIPLIRSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@@H]1C[NH3+] ZINC000904412377 621593131 /nfs/dbraw/zinc/59/31/31/621593131.db2.gz UPUOBXFBISPTEC-MZSZDEQASA-N 2 0 262.372 2.756 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@H]1C[NH3+] ZINC000904412132 621593146 /nfs/dbraw/zinc/59/31/46/621593146.db2.gz QKMNBMDLESGPRY-ONGXEEELSA-N 2 0 272.314 2.521 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CC[C@H]1C[NH3+] ZINC000904412414 621593413 /nfs/dbraw/zinc/59/34/13/621593413.db2.gz VJYSWWSXNQLZBV-NEPJUHHUSA-N 2 0 276.355 2.989 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000904432678 621595300 /nfs/dbraw/zinc/59/53/00/621595300.db2.gz FASQWPVUTNAXNW-CFVMTHIKSA-N 2 0 293.480 2.704 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC[NH2+]1 ZINC000904462119 621596973 /nfs/dbraw/zinc/59/69/73/621596973.db2.gz HOEJPMJNPGAJAY-NYXISSTPSA-N 2 0 260.425 2.519 20 0 CFADRP COc1ccc(C[C@H](C)CN[C@@H]2C[NH2+]CC2(C)C)cc1F ZINC000904461606 621596982 /nfs/dbraw/zinc/59/69/82/621596982.db2.gz KEIBCDFZNBOOPD-BLLLJJGKSA-N 2 0 294.414 2.601 20 0 CFADRP C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCO2 ZINC000904444013 621598695 /nfs/dbraw/zinc/59/86/95/621598695.db2.gz KYUVELLJXWFPGH-KZWSWKJNSA-N 2 0 286.419 2.803 20 0 CFADRP c1c(C[NH2+]C2([C@H]3CCCCO3)CC2)sc2c1C[NH2+]CC2 ZINC000904442093 621598866 /nfs/dbraw/zinc/59/88/66/621598866.db2.gz ADXOXLSWZYYFLX-OAHLLOKOSA-N 2 0 292.448 2.585 20 0 CFADRP c1csc(C[C@H]2CC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000904468406 621600614 /nfs/dbraw/zinc/60/06/14/621600614.db2.gz BWLBQBLHSSDINL-FFHGMXDLSA-N 2 0 291.464 2.538 20 0 CFADRP CC(C)(CN1CCCC1)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000832756302 625507175 /nfs/dbraw/zinc/50/71/75/625507175.db2.gz MAHLKZHTMCJBLT-SNVBAGLBSA-N 2 0 265.228 2.644 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)c1 ZINC000906160503 621936875 /nfs/dbraw/zinc/93/68/75/621936875.db2.gz ZSYUQGSWGGSDMF-INIZCTEOSA-N 2 0 296.418 2.672 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000906508769 621995027 /nfs/dbraw/zinc/99/50/27/621995027.db2.gz ZEVQJJPADDRLGZ-MGCOHNPYSA-N 2 0 276.327 2.878 20 0 CFADRP CCCC[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000906529267 621998136 /nfs/dbraw/zinc/99/81/36/621998136.db2.gz JZZCZGOSVHWHSE-UHFFFAOYSA-N 2 0 264.413 2.559 20 0 CFADRP CSCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000184103975 625572947 /nfs/dbraw/zinc/57/29/47/625572947.db2.gz UXZNHDIUJXJFTP-KBPBESRZSA-N 2 0 258.475 2.982 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1cccc(C[NH+](C)C)c1 ZINC000820806795 622760459 /nfs/dbraw/zinc/76/04/59/622760459.db2.gz RBJCBPXWQCTSMW-CZUORRHYSA-N 2 0 288.391 2.725 20 0 CFADRP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000820806707 622760870 /nfs/dbraw/zinc/76/08/70/622760870.db2.gz OXMGGADNIJOIFH-QNBRMCRTSA-N 2 0 299.462 2.870 20 0 CFADRP CCC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820805995 622761223 /nfs/dbraw/zinc/76/12/23/622761223.db2.gz XBGKJZKRWCKGGP-ZNXRZULTSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820810124 622761612 /nfs/dbraw/zinc/76/16/12/622761612.db2.gz PHKNFGOYHUKRCA-OAHLLOKOSA-N 3 0 289.467 2.741 20 0 CFADRP CC[C@@H](C)[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809592 622761781 /nfs/dbraw/zinc/76/17/81/622761781.db2.gz DPZFCULFYKFKDA-IBWRZXHSSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820812613 622763595 /nfs/dbraw/zinc/76/35/95/622763595.db2.gz OKXDIYCVXVEHMR-RKVPGOIHSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc(C[NH+](C)C)c1 ZINC000820811669 622763600 /nfs/dbraw/zinc/76/36/00/622763600.db2.gz UKRWYRYHDIYDNV-KGLIPLIRSA-N 2 0 286.423 2.894 20 0 CFADRP CSC(C)(C)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000820861605 622776883 /nfs/dbraw/zinc/77/68/83/622776883.db2.gz OLXUBNXUARGZDJ-UHFFFAOYSA-N 2 0 258.475 2.981 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cncc2ccccc21 ZINC000165074123 622980656 /nfs/dbraw/zinc/98/06/56/622980656.db2.gz DLAKCDNZYUUZQV-INIZCTEOSA-N 2 0 269.392 2.938 20 0 CFADRP Fc1cccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000226435536 623074988 /nfs/dbraw/zinc/07/49/88/623074988.db2.gz UJBWPADTUIROGX-CQSZACIVSA-N 2 0 262.372 2.790 20 0 CFADRP Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)ccc1C[NH+](C)C ZINC000822484476 623113910 /nfs/dbraw/zinc/11/39/10/623113910.db2.gz RMZRGXQRZBBUHU-UHFFFAOYSA-N 2 0 291.439 2.773 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000228200550 623135723 /nfs/dbraw/zinc/13/57/23/623135723.db2.gz UWJKJMLLYCQBRM-ZFWWWQNUSA-N 2 0 285.391 2.819 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@H]21 ZINC000228472362 623145054 /nfs/dbraw/zinc/14/50/54/623145054.db2.gz BUDLOGJXGFOVQD-IACUBPJLSA-N 2 0 296.361 2.847 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC000169798619 623146558 /nfs/dbraw/zinc/14/65/58/623146558.db2.gz FAVMFYWLTGQGSP-PBHICJAKSA-N 2 0 258.409 2.722 20 0 CFADRP CSCC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228877563 623167390 /nfs/dbraw/zinc/16/73/90/623167390.db2.gz WLPYTZHLKJTHBN-ZLKJLUDKSA-N 2 0 250.411 2.862 20 0 CFADRP CSCC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228877581 623167536 /nfs/dbraw/zinc/16/75/36/623167536.db2.gz WLPYTZHLKJTHBN-GDLCADMTSA-N 2 0 250.411 2.862 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062078697 623246539 /nfs/dbraw/zinc/24/65/39/623246539.db2.gz ZBPHGEQAFYXYIS-HOTGVXAUSA-N 2 0 290.451 2.948 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC000823167458 623250517 /nfs/dbraw/zinc/25/05/17/623250517.db2.gz GXPHJVAQYNTIDH-RYUDHWBXSA-N 2 0 277.239 2.598 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197668 623332605 /nfs/dbraw/zinc/33/26/05/623332605.db2.gz SDSUCIXSKWPNPP-KRWDZBQOSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCC[C@H]1C ZINC000823825420 623401218 /nfs/dbraw/zinc/40/12/18/623401218.db2.gz NSWWYMVAKUJONB-JJTUDDRGSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@@H](CO)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000929485014 623445567 /nfs/dbraw/zinc/44/55/67/623445567.db2.gz BMLSWFCDGRWWIK-SFHVURJKSA-N 2 0 290.451 2.601 20 0 CFADRP C1CC1[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000914436465 623854344 /nfs/dbraw/zinc/85/43/44/623854344.db2.gz VTNLDDNDTCMJQR-QZTJIDSGSA-N 2 0 292.467 2.798 20 0 CFADRP CC1(C)CC([NH2+]C[C@H](O)c2ccccc2F)CC(C)(C)[NH2+]1 ZINC000914580838 623903393 /nfs/dbraw/zinc/90/33/93/623903393.db2.gz WISQMOVEUXUGCM-HNNXBMFYSA-N 2 0 294.414 2.758 20 0 CFADRP CC(C)CC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000827802554 624096856 /nfs/dbraw/zinc/09/68/56/624096856.db2.gz GYFDIUGPNPXJBD-UHFFFAOYSA-N 2 0 268.445 2.655 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)CC[N@@H+]1C ZINC000185302228 625709196 /nfs/dbraw/zinc/70/91/96/625709196.db2.gz IARVSSVLYWWQEN-WWGRRREGSA-N 2 0 296.842 2.620 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000917011900 624299921 /nfs/dbraw/zinc/29/99/21/624299921.db2.gz ATHMRHRKGIRIKN-WMZOPIPTSA-N 2 0 288.435 2.589 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000918026494 624409677 /nfs/dbraw/zinc/40/96/77/624409677.db2.gz JYJAXTBZLAFYBX-GFCCVEGCSA-N 2 0 279.255 2.844 20 0 CFADRP Cc1nc(C)c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000930037498 624484851 /nfs/dbraw/zinc/48/48/51/624484851.db2.gz KYTMUQLNMDKYEJ-KRWDZBQOSA-N 2 0 298.434 2.733 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000830206275 624669768 /nfs/dbraw/zinc/66/97/68/624669768.db2.gz JDVKYLVRDCRNAM-INIZCTEOSA-N 2 0 290.451 2.736 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn(CCF)c1 ZINC000921531876 625978951 /nfs/dbraw/zinc/97/89/51/625978951.db2.gz DMAZCYKMJABMDS-HNNXBMFYSA-N 2 0 296.434 2.597 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnn(CCF)c1 ZINC000921531879 625979046 /nfs/dbraw/zinc/97/90/46/625979046.db2.gz DMAZCYKMJABMDS-OAHLLOKOSA-N 2 0 296.434 2.597 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000921617292 625994219 /nfs/dbraw/zinc/99/42/19/625994219.db2.gz CMPYLGLVZJWFOP-GDBMZVCRSA-N 2 0 288.435 2.830 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000921617296 625994313 /nfs/dbraw/zinc/99/43/13/625994313.db2.gz CMPYLGLVZJWFOP-ZBFHGGJFSA-N 2 0 288.435 2.830 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921686963 626079899 /nfs/dbraw/zinc/07/98/99/626079899.db2.gz SLZOCRBWIRWXTF-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP C([NH2+][C@H]1CC[C@@H]2COCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000922069889 626203354 /nfs/dbraw/zinc/20/33/54/626203354.db2.gz RMAUTPOYDXIUOE-ZACQAIPSSA-N 2 0 292.467 2.656 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000922140044 626216313 /nfs/dbraw/zinc/21/63/13/626216313.db2.gz GURGZDMYANVOFW-LTIDMASMSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC000922181772 626233195 /nfs/dbraw/zinc/23/31/95/626233195.db2.gz ZBCPXXHSRMKQRJ-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922393421 626283366 /nfs/dbraw/zinc/28/33/66/626283366.db2.gz KPPZXAOKVBXRSH-YYWYGQEZSA-N 2 0 296.499 2.882 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]CC1(C)CCC1)c1cccnc1 ZINC000922633223 626328177 /nfs/dbraw/zinc/32/81/77/626328177.db2.gz OISNRVWMHMFZQL-OAHLLOKOSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000922640896 626332563 /nfs/dbraw/zinc/33/25/63/626332563.db2.gz HJIOQQKMQNDVCV-CRAIPNDOSA-N 2 0 288.435 2.797 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851731217 634496611 /nfs/dbraw/zinc/49/66/11/634496611.db2.gz MEFCWOPIPDBVDX-INIZCTEOSA-N 2 0 298.471 2.582 20 0 CFADRP CCC[C@@H](O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922819434 626373127 /nfs/dbraw/zinc/37/31/27/626373127.db2.gz BVUBFUFJBHOZAN-QGZVFWFLSA-N 2 0 282.472 2.924 20 0 CFADRP CC(C)n1cncc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922844288 626378559 /nfs/dbraw/zinc/37/85/59/626378559.db2.gz BNVYVKNMEHFRPV-UHFFFAOYSA-N 2 0 290.455 2.961 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922844262 626378593 /nfs/dbraw/zinc/37/85/93/626378593.db2.gz AUVASBLDDOSLRL-JCCCHCCOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922844242 626378815 /nfs/dbraw/zinc/37/88/15/626378815.db2.gz ADPAYXURUKCUSU-JWMHWRSXSA-N 2 0 266.429 2.551 20 0 CFADRP COC1(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCCC1 ZINC000922845524 626379448 /nfs/dbraw/zinc/37/94/48/626379448.db2.gz RKIGZSMLKGZQHW-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP CCc1nocc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922845737 626379492 /nfs/dbraw/zinc/37/94/92/626379492.db2.gz SIXCYSIXPKHMTL-UHFFFAOYSA-N 2 0 277.412 2.734 20 0 CFADRP Cc1ncsc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922847472 626380085 /nfs/dbraw/zinc/38/00/85/626380085.db2.gz QUPSASVGNABRLD-UHFFFAOYSA-N 2 0 279.453 2.948 20 0 CFADRP Cn1cccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848776 626380449 /nfs/dbraw/zinc/38/04/49/626380449.db2.gz XHLSHEMLOPLIQV-UHFFFAOYSA-N 2 0 261.413 2.522 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000929327682 626399270 /nfs/dbraw/zinc/39/92/70/626399270.db2.gz LGDJTNQKFCZDPA-QDMKHBRRSA-N 2 0 286.410 2.941 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922951118 626431636 /nfs/dbraw/zinc/43/16/36/626431636.db2.gz SVJCHTLYWVYWRY-UKTKYZJWSA-N 2 0 286.419 2.543 20 0 CFADRP c1cc2c(cccc2C[NH2+]C[C@@H]2CCN2C2CCOCC2)[nH]1 ZINC000922951120 626431654 /nfs/dbraw/zinc/43/16/54/626431654.db2.gz SWAAWGVNDBANQP-INIZCTEOSA-N 2 0 299.418 2.511 20 0 CFADRP c1ccc2c(c1)C[NH2+]CCN2CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923286933 626462948 /nfs/dbraw/zinc/46/29/48/626462948.db2.gz RBTMKCINNNUSGR-ZXFUBFMLSA-N 2 0 285.435 2.517 20 0 CFADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923299782 626463316 /nfs/dbraw/zinc/46/33/16/626463316.db2.gz ZMPHKZQCTQJOPN-GOSISDBHSA-N 2 0 296.414 2.650 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304075 626464469 /nfs/dbraw/zinc/46/44/69/626464469.db2.gz CHMRJZFNHWNPOC-KRWDZBQOSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304709 626464720 /nfs/dbraw/zinc/46/47/20/626464720.db2.gz RYMSXHOWVSYAKP-NVXWUHKLSA-N 2 0 286.419 2.510 20 0 CFADRP COC1CCC([N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923315612 626465069 /nfs/dbraw/zinc/46/50/69/626465069.db2.gz KJGIHZMOSQVHLX-HXGYVLDSSA-N 2 0 280.456 2.797 20 0 CFADRP OCC[N@H+](CCC[NH2+]C1CC1)[C@H]1CCCc2ccccc21 ZINC000923317272 626465331 /nfs/dbraw/zinc/46/53/31/626465331.db2.gz ZATIPMPMALJZMK-SFHVURJKSA-N 2 0 288.435 2.500 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCCN(CCC[NH2+]C3CC3)C2)CC1 ZINC000923322609 626466563 /nfs/dbraw/zinc/46/65/63/626466563.db2.gz QFXNNVKKLDHFEX-QGZVFWFLSA-N 2 0 293.499 2.572 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923375765 626469338 /nfs/dbraw/zinc/46/93/38/626469338.db2.gz DNBWTOLJGRUZPX-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)cc1 ZINC000923378011 626469343 /nfs/dbraw/zinc/46/93/43/626469343.db2.gz YXIJRGHPNVOTFY-CABCVRRESA-N 2 0 294.826 2.759 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000923389031 626470460 /nfs/dbraw/zinc/47/04/60/626470460.db2.gz RXRVYJBIXNDXRJ-GPANFISMSA-N 2 0 280.456 2.513 20 0 CFADRP C(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000923416742 626471012 /nfs/dbraw/zinc/47/10/12/626471012.db2.gz YPJZIZDZULRJEG-MRXNPFEDSA-N 2 0 266.429 2.552 20 0 CFADRP c1csc(C[C@H]2CCCN(CCC[NH2+]C3CC3)C2)n1 ZINC000923433060 626472808 /nfs/dbraw/zinc/47/28/08/626472808.db2.gz VOOIIJSTZRPCGT-CYBMUJFWSA-N 2 0 279.453 2.540 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1CC3CCC1CC3)CC2 ZINC000923444148 626473175 /nfs/dbraw/zinc/47/31/75/626473175.db2.gz HGYQKINQZWVRPJ-SJJHQCBESA-N 2 0 292.467 2.643 20 0 CFADRP Cc1cccc([C@@H](C)[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1 ZINC000923448314 626473551 /nfs/dbraw/zinc/47/35/51/626473551.db2.gz BSHDQGSXXSNKMB-NVXWUHKLSA-N 2 0 288.435 2.886 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456416 626473707 /nfs/dbraw/zinc/47/37/07/626473707.db2.gz PFGRWERNTBPTRZ-GOEBONIOSA-N 2 0 274.408 2.577 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000923479135 626475988 /nfs/dbraw/zinc/47/59/88/626475988.db2.gz MBDCRCZGKWKDTC-ZBFHGGJFSA-N 2 0 258.409 2.777 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)ccc1SC ZINC000923480590 626476006 /nfs/dbraw/zinc/47/60/06/626476006.db2.gz AMMIZZOLWVOXIB-GFCCVEGCSA-N 2 0 280.437 2.588 20 0 CFADRP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000923482602 626476200 /nfs/dbraw/zinc/47/62/00/626476200.db2.gz FTQMGSZRDIXYSY-VIFPVBQESA-N 2 0 293.358 2.641 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1C[NH3+] ZINC000923495633 626476242 /nfs/dbraw/zinc/47/62/42/626476242.db2.gz DCHXOYXJVCIICK-GXTWGEPZSA-N 2 0 258.365 2.850 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000923485327 626476358 /nfs/dbraw/zinc/47/63/58/626476358.db2.gz HZNGUAOMEGXVCN-AWEZNQCLSA-N 2 0 266.816 2.943 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1C[NH3+] ZINC000923496420 626476485 /nfs/dbraw/zinc/47/64/85/626476485.db2.gz IBQZDWCJKFERJN-DGCLKSJQSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923496797 626476617 /nfs/dbraw/zinc/47/66/17/626476617.db2.gz BJSLOYOHKFADRJ-STQMWFEESA-N 2 0 287.382 2.791 20 0 CFADRP C[C@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)CC[C@@H]1C[NH3+] ZINC000923491100 626476689 /nfs/dbraw/zinc/47/66/89/626476689.db2.gz QUHMUHVRWZHCBQ-QWHCGFSZSA-N 2 0 291.439 2.606 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1C[NH3+] ZINC000923493350 626476762 /nfs/dbraw/zinc/47/67/62/626476762.db2.gz SOHSZESDJXOWDQ-WFASDCNBSA-N 2 0 257.381 2.585 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccsc2Cl)CC[C@@H]1C[NH3+] ZINC000923492674 626476772 /nfs/dbraw/zinc/47/67/72/626476772.db2.gz YOHSCNKWSVKXSA-VHSXEESVSA-N 2 0 258.818 2.818 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502758 626476941 /nfs/dbraw/zinc/47/69/41/626476941.db2.gz ZJFPVTUZSTURNT-QWHCGFSZSA-N 2 0 250.361 2.551 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497509 626477172 /nfs/dbraw/zinc/47/71/72/626477172.db2.gz LGOZGBVDTGMXAU-CHWSQXEVSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)CC[C@H]1C[NH3+] ZINC000923498825 626477191 /nfs/dbraw/zinc/47/71/91/626477191.db2.gz QDKVZRUNQIJDQS-NEPJUHHUSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@@H]1C[NH3+] ZINC000923498776 626477197 /nfs/dbraw/zinc/47/71/97/626477197.db2.gz PWARSHZBGOVTCB-AXAPSJFSSA-N 2 0 262.372 2.730 20 0 CFADRP C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)CC[C@@H]1C[NH3+] ZINC000923500284 626477373 /nfs/dbraw/zinc/47/73/73/626477373.db2.gz NEORYIJQMHIVEG-NWDGAFQWSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499342 626477408 /nfs/dbraw/zinc/47/74/08/626477408.db2.gz SCRRQRONTKCWET-BZPMIXESSA-N 2 0 250.361 2.803 20 0 CFADRP Cc1noc(C)c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504515 626477547 /nfs/dbraw/zinc/47/75/47/626477547.db2.gz ZHICZTLSLSHDCO-OAHLLOKOSA-N 2 0 291.439 2.893 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923501371 626477668 /nfs/dbraw/zinc/47/76/68/626477668.db2.gz RIISQPZMEHGTOZ-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC000923505491 626477723 /nfs/dbraw/zinc/47/77/23/626477723.db2.gz AANNHJQUOVISOO-YPMHNXCESA-N 2 0 252.789 2.757 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507127 626477916 /nfs/dbraw/zinc/47/79/16/626477916.db2.gz MYJIXVONRHCKOD-QGZVFWFLSA-N 3 0 295.515 2.997 20 0 CFADRP Clc1cccc(OCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519188 626478324 /nfs/dbraw/zinc/47/83/24/626478324.db2.gz QOWQHNXFEUCQHL-UONOGXRCSA-N 2 0 294.826 2.650 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000923518763 626478364 /nfs/dbraw/zinc/47/83/64/626478364.db2.gz NFRGQRGLDMEJGE-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)c1 ZINC000923519585 626478469 /nfs/dbraw/zinc/47/84/69/626478469.db2.gz UUKALFCBBGGRKE-JKSUJKDBSA-N 2 0 258.409 2.653 20 0 CFADRP C(=C/[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1)\c1ccccc1 ZINC000923525341 626478504 /nfs/dbraw/zinc/47/85/04/626478504.db2.gz FUAFWTINFKVXSH-AFYXXPPBSA-N 2 0 256.393 2.774 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CC(C)(C)CC(=O)OCC)C1 ZINC000838849453 626510485 /nfs/dbraw/zinc/51/04/85/626510485.db2.gz CAFWVBJNQCUTSG-HNNXBMFYSA-N 2 0 298.471 2.630 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cnc1Cl ZINC000839181365 626529848 /nfs/dbraw/zinc/52/98/48/626529848.db2.gz HQLYICNJKSUMML-CYBMUJFWSA-N 2 0 281.831 2.865 20 0 CFADRP OC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000839555300 626546353 /nfs/dbraw/zinc/54/63/53/626546353.db2.gz JTWVRQYJFXPKJU-GOSISDBHSA-N 2 0 288.435 2.533 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)CC1 ZINC000757643328 626557099 /nfs/dbraw/zinc/55/70/99/626557099.db2.gz QYTAIOBVGVKJGH-OAHLLOKOSA-N 2 0 293.842 2.899 20 0 CFADRP C[N@H+](CCOC(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793343 634532722 /nfs/dbraw/zinc/53/27/22/634532722.db2.gz VBDVPJWCAIYAPS-OAHLLOKOSA-N 2 0 298.377 2.680 20 0 CFADRP O[C@H](CN1CCCC[C@@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000762634617 626926879 /nfs/dbraw/zinc/92/68/79/626926879.db2.gz QEGJHZKRXGTGOZ-ZWKOTPCHSA-N 2 0 288.435 2.670 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000765851353 627161057 /nfs/dbraw/zinc/16/10/57/627161057.db2.gz ZTBKHOKLXFFOFL-HNNXBMFYSA-N 2 0 289.467 2.963 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000765849128 627161132 /nfs/dbraw/zinc/16/11/32/627161132.db2.gz NAOMFSGGRBPWBD-NVXWUHKLSA-N 2 0 289.467 2.963 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000765907261 627162549 /nfs/dbraw/zinc/16/25/49/627162549.db2.gz ULRRMOJVRDHHFA-OAHLLOKOSA-N 2 0 258.409 2.790 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766512401 627206752 /nfs/dbraw/zinc/20/67/52/627206752.db2.gz KITXZEULUWNHAK-WXLSXGNJSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2c(C)noc2C)[C@@H](C)C1 ZINC000766532329 627208110 /nfs/dbraw/zinc/20/81/10/627208110.db2.gz WJWVZPPZIABJAL-LRDDRELGSA-N 2 0 279.428 2.544 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768705291 627365569 /nfs/dbraw/zinc/36/55/69/627365569.db2.gz GFDHPJUZNVCJNX-HSBZDZAISA-N 2 0 274.399 2.988 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000769033762 627397793 /nfs/dbraw/zinc/39/77/93/627397793.db2.gz NMLGLDNFTQWDQA-KRWDZBQOSA-N 2 0 276.424 2.749 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000769485914 627447028 /nfs/dbraw/zinc/44/70/28/627447028.db2.gz PWLIYYCGGXRZOL-KSSFIOAISA-N 2 0 288.435 2.879 20 0 CFADRP C1=C(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)COCC1 ZINC000769928129 627488092 /nfs/dbraw/zinc/48/80/92/627488092.db2.gz LSVAXMUXVLQYEA-UHFFFAOYSA-N 2 0 278.440 2.720 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N(C)CC[N@H+](C)C1CC1 ZINC000770223039 627508814 /nfs/dbraw/zinc/50/88/14/627508814.db2.gz RQGGMOIHTPCBOI-UHFFFAOYSA-N 2 0 285.391 2.774 20 0 CFADRP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)o1 ZINC000770348924 627514943 /nfs/dbraw/zinc/51/49/43/627514943.db2.gz AQFJMNQKEWGZET-HOCLYGCPSA-N 2 0 262.397 2.813 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000774123925 627891280 /nfs/dbraw/zinc/89/12/80/627891280.db2.gz RZAAEQWLJPHQQA-CSNJMZFVSA-N 3 0 293.499 2.856 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@H](O)c2ccccc2)CC1 ZINC000775400969 628021191 /nfs/dbraw/zinc/02/11/91/628021191.db2.gz LWPIEXXVNHXTKP-QAPCUYQASA-N 2 0 290.451 2.963 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2C)CC1 ZINC000775416438 628023865 /nfs/dbraw/zinc/02/38/65/628023865.db2.gz VRAOLNNKPPTMOV-UHFFFAOYSA-N 2 0 262.397 2.578 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776166546 628109599 /nfs/dbraw/zinc/10/95/99/628109599.db2.gz AZVPVFHCIKOXEC-QGZVFWFLSA-N 2 0 256.393 2.834 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000779344635 628376165 /nfs/dbraw/zinc/37/61/65/628376165.db2.gz IZMKWPZZUCHBAQ-INIZCTEOSA-N 2 0 290.451 2.779 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780286416 628451373 /nfs/dbraw/zinc/45/13/73/628451373.db2.gz NKEDCZJTNKGKGD-OAHLLOKOSA-N 2 0 258.409 2.742 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000782182499 628611311 /nfs/dbraw/zinc/61/13/11/628611311.db2.gz COGKGGBWYGEWDX-KRWDZBQOSA-N 2 0 258.409 2.948 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000783228622 628689276 /nfs/dbraw/zinc/68/92/76/628689276.db2.gz ATCMGUNIDHLKIF-UKRRQHHQSA-N 2 0 262.397 2.515 20 0 CFADRP C[NH+](C)CCCCCCC[NH2+]C[C@H]1CCSC1 ZINC000785440053 628883453 /nfs/dbraw/zinc/88/34/53/628883453.db2.gz ZIBYCFURCFLUCH-CQSZACIVSA-N 2 0 258.475 2.841 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788498685 629075339 /nfs/dbraw/zinc/07/53/39/629075339.db2.gz OVABDBFOFXUSHX-KBPBESRZSA-N 2 0 279.428 2.948 20 0 CFADRP CC(C)(C[NH2+]C1CC(C(F)F)C1)C[NH+]1CCCC1 ZINC000792197455 629409064 /nfs/dbraw/zinc/40/90/64/629409064.db2.gz WQQKBJPTYAJGTC-UHFFFAOYSA-N 2 0 260.372 2.742 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000852557270 634779763 /nfs/dbraw/zinc/77/97/63/634779763.db2.gz LNMNERDWLZYIFY-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000797060348 630011377 /nfs/dbraw/zinc/01/13/77/630011377.db2.gz LXHCWJDOCUVUSD-LEUOFYLZSA-N 2 0 288.435 2.633 20 0 CFADRP C[C@]1(C[NH2+]CC2(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798497828 630196401 /nfs/dbraw/zinc/19/64/01/630196401.db2.gz DVLCMBDDDQTRNF-MRXNPFEDSA-N 2 0 276.399 2.990 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[Si](C)(C)C)C2)CC1 ZINC000799178941 630283805 /nfs/dbraw/zinc/28/38/05/630283805.db2.gz SMYAATMFRPJPMR-UHFFFAOYSA-N 2 0 254.494 2.672 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccccn2)C1 ZINC000799191009 630285850 /nfs/dbraw/zinc/28/58/50/630285850.db2.gz GZMIYHBZBUKAQA-JKSUJKDBSA-N 2 0 273.424 2.745 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000800224731 630361688 /nfs/dbraw/zinc/36/16/88/630361688.db2.gz JPSUGUAHEOPLJE-ZIAGYGMSSA-N 2 0 267.417 2.701 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000800966954 630419145 /nfs/dbraw/zinc/41/91/45/630419145.db2.gz GGKFSFZTWKJXIH-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP ClC(Cl)=CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000852749340 634823734 /nfs/dbraw/zinc/82/37/34/634823734.db2.gz KVEXQPFVZIGFNV-QWRGUYRKSA-N 2 0 263.212 2.627 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852759109 634827225 /nfs/dbraw/zinc/82/72/25/634827225.db2.gz JWKVEXZQCZBPCR-HZPDHXFCSA-N 2 0 268.445 2.787 20 0 CFADRP Cc1ccc(N2CC[NH+](CCCCCC[NH3+])CC2)c(C)c1 ZINC000852762593 634827890 /nfs/dbraw/zinc/82/78/90/634827890.db2.gz PNWCNXRTNOSUQX-UHFFFAOYSA-N 2 0 289.467 2.945 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852761046 634828393 /nfs/dbraw/zinc/82/83/93/634828393.db2.gz POZPZKKCYAJIJC-MRXNPFEDSA-N 2 0 262.397 2.659 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806130533 630770006 /nfs/dbraw/zinc/77/00/06/630770006.db2.gz ADRAMZKODDTWOG-AAEUAGOBSA-N 2 0 279.815 2.654 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126709 630804738 /nfs/dbraw/zinc/80/47/38/630804738.db2.gz VHIIHFINSASUFQ-OLZOCXBDSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H](O)c1ccccc1 ZINC000808720476 631036084 /nfs/dbraw/zinc/03/60/84/631036084.db2.gz WGJWQPHAHIXSDY-KBXCAEBGSA-N 2 0 288.435 2.573 20 0 CFADRP CCc1noc(C)c1[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000840807750 631227195 /nfs/dbraw/zinc/22/71/95/631227195.db2.gz FQZVSRLBWMJXRR-JSGCOSHPSA-N 2 0 279.428 2.928 20 0 CFADRP Cc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000841006895 631302696 /nfs/dbraw/zinc/30/26/96/631302696.db2.gz OZGJRANWDPMPOQ-GJZGRUSLSA-N 2 0 258.409 2.741 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000841008433 631304303 /nfs/dbraw/zinc/30/43/03/631304303.db2.gz PHENTQYVDOWWAL-AWEZNQCLSA-N 2 0 297.240 2.805 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000841035636 631314709 /nfs/dbraw/zinc/31/47/09/631314709.db2.gz LJUNKBQCKFXANA-UHFFFAOYSA-N 2 0 258.340 2.617 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cncc3ccccc32)CCC[NH2+]C1 ZINC000841056112 631323974 /nfs/dbraw/zinc/32/39/74/631323974.db2.gz BTRJXFFMFDTRID-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841064601 631328335 /nfs/dbraw/zinc/32/83/35/631328335.db2.gz ZMVMQVBFIVGODI-YJBOKZPZSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cnc1Cl ZINC000841072382 631330513 /nfs/dbraw/zinc/33/05/13/631330513.db2.gz JDGSPYMDNZYMMA-ZDUSSCGKSA-N 2 0 267.804 2.665 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1C ZINC000841084945 631334120 /nfs/dbraw/zinc/33/41/20/631334120.db2.gz QSRYJDXHNBAVGS-UKRRQHHQSA-N 2 0 262.397 2.529 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(Cl)nc2)CC[NH+](C)CC1 ZINC000810169899 631337905 /nfs/dbraw/zinc/33/79/05/631337905.db2.gz BTKRXWQWUOHPAQ-UHFFFAOYSA-N 2 0 299.871 2.652 20 0 CFADRP O[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000841095075 631338041 /nfs/dbraw/zinc/33/80/41/631338041.db2.gz HNJVXIIKXVYKSF-ZWKOTPCHSA-N 2 0 284.403 2.605 20 0 CFADRP C[C@@H](CCO)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810261323 631352113 /nfs/dbraw/zinc/35/21/13/631352113.db2.gz UZGPHCMHFMQORL-FUHWJXTLSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@H](CCO)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000810261320 631352223 /nfs/dbraw/zinc/35/22/23/631352223.db2.gz UZGPHCMHFMQORL-AEFFLSMTSA-N 2 0 290.451 2.649 20 0 CFADRP COCCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000841893463 631488843 /nfs/dbraw/zinc/48/88/43/631488843.db2.gz FONGUSWGLWFXCX-UHFFFAOYSA-N 2 0 264.413 2.607 20 0 CFADRP C[C@@H](C(=O)OCC[C@@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000840235390 631585649 /nfs/dbraw/zinc/58/56/49/631585649.db2.gz JYLMMEIPQGYMAP-FZKCQIBNSA-N 2 0 296.455 2.665 20 0 CFADRP Cc1cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nc(N)[nH+]1 ZINC000811845923 631632198 /nfs/dbraw/zinc/63/21/98/631632198.db2.gz FECYIOMJWUBDIS-BBRMVZONSA-N 2 0 299.422 2.779 20 0 CFADRP Cn1ccnc1[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000842476367 631640864 /nfs/dbraw/zinc/64/08/64/631640864.db2.gz MUPMNAFYPKZBQJ-HNNXBMFYSA-N 2 0 278.444 2.509 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000842476491 631641515 /nfs/dbraw/zinc/64/15/15/631641515.db2.gz PUJVNNBQLXGVFS-MRXNPFEDSA-N 2 0 268.445 2.787 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCc2cccs2)CC1 ZINC000104947506 631771720 /nfs/dbraw/zinc/77/17/20/631771720.db2.gz IPYMQKYMIAVRBQ-UHFFFAOYSA-N 2 0 266.454 2.954 20 0 CFADRP CC(C)N(C)c1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000843054864 631818785 /nfs/dbraw/zinc/81/87/85/631818785.db2.gz LHRROTMPTSGNCN-UHFFFAOYSA-N 2 0 290.455 2.628 20 0 CFADRP CCOc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1F ZINC000843054838 631818881 /nfs/dbraw/zinc/81/88/81/631818881.db2.gz KAMVUFSYKDQQBM-UHFFFAOYSA-N 2 0 280.387 2.926 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843055756 631819203 /nfs/dbraw/zinc/81/92/03/631819203.db2.gz OUXRBXOEXFQWFS-UHFFFAOYSA-N 2 0 298.434 2.882 20 0 CFADRP C[N@H+](Cc1scnc1C1CC1)C1CCC([NH3+])CC1 ZINC000843054886 631819389 /nfs/dbraw/zinc/81/93/89/631819389.db2.gz MFSYDVMYLSKERH-UHFFFAOYSA-N 2 0 265.426 2.722 20 0 CFADRP c1cc2cc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)ccc2cn1 ZINC000843119897 631841117 /nfs/dbraw/zinc/84/11/17/631841117.db2.gz LSUKDQLNRMJYEV-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000843126437 631845006 /nfs/dbraw/zinc/84/50/06/631845006.db2.gz FOPLZOZCGGTECZ-UHFFFAOYSA-N 2 0 290.386 2.620 20 0 CFADRP COc1cc2c(c(C[NH2+]CCCCCC[NH3+])c1)O[C@H](C)C2 ZINC000843126488 631845223 /nfs/dbraw/zinc/84/52/23/631845223.db2.gz GZNCJWJDDNAZME-CYBMUJFWSA-N 2 0 292.423 2.627 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000843127327 631846458 /nfs/dbraw/zinc/84/64/58/631846458.db2.gz PUYMFTGNGOBRIJ-HUUCEWRRSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000843127531 631846651 /nfs/dbraw/zinc/84/66/51/631846651.db2.gz DVOFUIIHFBRVAR-DLBZAZTESA-N 2 0 275.440 2.588 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000843128023 631847602 /nfs/dbraw/zinc/84/76/02/631847602.db2.gz GUXAGGJHMCUVOD-UHFFFAOYSA-N 2 0 290.436 2.814 20 0 CFADRP CC(C)(C)CC(=O)N1CCC([NH2+]CCCCCC[NH3+])CC1 ZINC000843127987 631847755 /nfs/dbraw/zinc/84/77/55/631847755.db2.gz SLQFOXAMMNJUGO-UHFFFAOYSA-N 2 0 297.487 2.522 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843128496 631847936 /nfs/dbraw/zinc/84/79/36/631847936.db2.gz WLHDQVFKRVYHIW-CQSZACIVSA-N 2 0 264.413 2.735 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000843129739 631849174 /nfs/dbraw/zinc/84/91/74/631849174.db2.gz ZJPSPJBNBJCCKI-JYJNAYRXSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCCCC[NH3+] ZINC000843129549 631849305 /nfs/dbraw/zinc/84/93/05/631849305.db2.gz WCEQNVOFTQQICI-UHFFFAOYSA-N 2 0 286.423 2.789 20 0 CFADRP CCC[NH+](CCC)CCCc1nc(C2CC[NH2+]CC2)no1 ZINC000843138292 631854384 /nfs/dbraw/zinc/85/43/84/631854384.db2.gz ASQNBBTVGADDOB-UHFFFAOYSA-N 2 0 294.443 2.591 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000843340799 631931119 /nfs/dbraw/zinc/93/11/19/631931119.db2.gz FEEWQKRJFNPJIJ-CQSZACIVSA-N 2 0 279.432 2.535 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000843341015 631931197 /nfs/dbraw/zinc/93/11/97/631931197.db2.gz BMMAESDMOIWJKY-ZDUSSCGKSA-N 2 0 278.396 2.628 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000843340188 631931304 /nfs/dbraw/zinc/93/13/04/631931304.db2.gz OCPFUCMVJVVXDZ-FRRDWIJNSA-N 2 0 279.815 2.521 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000843341448 631931326 /nfs/dbraw/zinc/93/13/26/631931326.db2.gz DYRGIXBTLDPXBU-HNNXBMFYSA-N 2 0 250.361 2.922 20 0 CFADRP Cc1noc(C2CCC([NH2+]CCCCCC[NH3+])CC2)n1 ZINC000843342691 631932234 /nfs/dbraw/zinc/93/22/34/631932234.db2.gz SESXMGPTNUHSAK-UHFFFAOYSA-N 2 0 280.416 2.513 20 0 CFADRP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CCC([NH3+])CC1 ZINC000843354830 631935473 /nfs/dbraw/zinc/93/54/73/631935473.db2.gz HPBOBYFRMNMZMA-UHFFFAOYSA-N 2 0 287.329 2.802 20 0 CFADRP C[N@H+](CCOC1CCCCCC1)C1CCC([NH3+])CC1 ZINC000843355430 631935968 /nfs/dbraw/zinc/93/59/68/631935968.db2.gz OJNRAVHTBDBSBG-UHFFFAOYSA-N 2 0 268.445 2.928 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)no1 ZINC000843356828 631936023 /nfs/dbraw/zinc/93/60/23/631936023.db2.gz DAZWZGGWRAERQA-OAHLLOKOSA-N 2 0 263.385 2.510 20 0 CFADRP Clc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000843387273 631942123 /nfs/dbraw/zinc/94/21/23/631942123.db2.gz GAOIDUNCPUAMIM-MNOVXSKESA-N 2 0 285.844 2.618 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000843386702 631942505 /nfs/dbraw/zinc/94/25/05/631942505.db2.gz BPLVVZLQQDHXJD-OLZOCXBDSA-N 2 0 279.815 2.557 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000843386704 631942886 /nfs/dbraw/zinc/94/28/86/631942886.db2.gz BPLVVZLQQDHXJD-QWHCGFSZSA-N 2 0 279.815 2.557 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388647 631943564 /nfs/dbraw/zinc/94/35/64/631943564.db2.gz VMWAXQKVABHOAE-IAGOWNOFSA-N 2 0 288.435 2.695 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@H]2CCC=CO2)[C@H](c2ccccc2)C1 ZINC000843426584 631954442 /nfs/dbraw/zinc/95/44/42/631954442.db2.gz ATHYFXBXGPKOIR-KURKYZTESA-N 2 0 286.419 2.614 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2csc(-c3ccco3)n2)CC1 ZINC000105458620 632135402 /nfs/dbraw/zinc/13/54/02/632135402.db2.gz KTCWZBKGXZIEIY-UHFFFAOYSA-N 2 0 291.420 2.835 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCC[NH3+])C[C@H]1C ZINC000844221522 632137230 /nfs/dbraw/zinc/13/72/30/632137230.db2.gz PJDSTYLJVNIBJH-CVEARBPZSA-N 3 0 269.477 2.700 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnn(C)c2Cl)C1 ZINC000815115811 632204453 /nfs/dbraw/zinc/20/44/53/632204453.db2.gz NHNQDGOOWGFPFX-CYBMUJFWSA-N 2 0 298.862 2.675 20 0 CFADRP COc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c(F)c1 ZINC000844901741 632330644 /nfs/dbraw/zinc/33/06/44/632330644.db2.gz JTOFPEYMTNHOSR-UHFFFAOYSA-N 2 0 288.366 2.625 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c1)CCC2 ZINC000844902732 632330756 /nfs/dbraw/zinc/33/07/56/632330756.db2.gz UTHKWIVCFCRRDL-UHFFFAOYSA-N 2 0 270.420 2.751 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000844922530 632337648 /nfs/dbraw/zinc/33/76/48/632337648.db2.gz AJPMNPKNQMWSKL-GARJFASQSA-N 2 0 265.228 2.691 20 0 CFADRP C[C@]1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@]1(F)Cl ZINC000844923171 632338030 /nfs/dbraw/zinc/33/80/30/632338030.db2.gz HYCODBOLGGVBJE-GJHMDTBVSA-N 2 0 260.784 2.564 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@@]2(C)C[C@]2(F)Cl)CC1 ZINC000846037167 632619900 /nfs/dbraw/zinc/61/99/00/632619900.db2.gz YZMKCKMNDWZEKU-QWHCGFSZSA-N 2 0 262.800 2.765 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CCCCCC[NH3+])on1 ZINC000846218925 632664138 /nfs/dbraw/zinc/66/41/38/632664138.db2.gz ZFLXQBIKOFOKDW-CYBMUJFWSA-N 2 0 251.374 2.639 20 0 CFADRP CC[N@H+](CCCCCC[NH3+])C[C@H](O)c1ccc(C)cc1 ZINC000846219001 632664830 /nfs/dbraw/zinc/66/48/30/632664830.db2.gz CCAJZRSCFIDOLK-KRWDZBQOSA-N 2 0 278.440 2.869 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCc1ccccc1F ZINC000846218726 632664919 /nfs/dbraw/zinc/66/49/19/632664919.db2.gz RVXCYCQGVSILHG-UHFFFAOYSA-N 2 0 252.377 2.819 20 0 CFADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCCCCC[NH3+] ZINC000846222449 632667050 /nfs/dbraw/zinc/66/70/50/632667050.db2.gz CUDLHKKJRWBBRQ-RHSMWYFYSA-N 2 0 276.424 2.830 20 0 CFADRP CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000846220854 632667367 /nfs/dbraw/zinc/66/73/67/632667367.db2.gz WMFSMVCEMMFWIW-GOSISDBHSA-N 2 0 289.467 2.712 20 0 CFADRP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000846224859 632667880 /nfs/dbraw/zinc/66/78/80/632667880.db2.gz BKGLXDWLLPHPJY-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000846223137 632668079 /nfs/dbraw/zinc/66/80/79/632668079.db2.gz HAPCNORVQFDBLT-SJORKVTESA-N 2 0 276.424 2.873 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCc3cccs3)C2)C1 ZINC000846225237 632668090 /nfs/dbraw/zinc/66/80/90/632668090.db2.gz LNOXMLLXJGPXPV-IIAWOOMASA-N 2 0 294.464 2.509 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817889567 632718311 /nfs/dbraw/zinc/71/83/11/632718311.db2.gz PMMMNOPEFPITHN-WNRNVDISSA-N 2 0 288.435 2.539 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817898295 632721564 /nfs/dbraw/zinc/72/15/64/632721564.db2.gz DYJIMSKDHYAOOV-OCCSQVGLSA-N 2 0 266.454 2.676 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000817897414 632721878 /nfs/dbraw/zinc/72/18/78/632721878.db2.gz OLWQLLOADUXIDX-XHSDSOJGSA-N 2 0 275.440 2.679 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1ccccc1 ZINC000817900559 632723790 /nfs/dbraw/zinc/72/37/90/632723790.db2.gz NIXATMIOUVHEQL-YJBOKZPZSA-N 2 0 283.419 2.647 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCOc1ccccc1F ZINC000817899950 632724117 /nfs/dbraw/zinc/72/41/17/632724117.db2.gz QXPYXNRBQAXOIF-HIFRSBDPSA-N 2 0 280.387 2.572 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000817904921 632728061 /nfs/dbraw/zinc/72/80/61/632728061.db2.gz HQYUXDPWMGOOAB-KSSFIOAISA-N 2 0 286.419 2.980 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000817904924 632728246 /nfs/dbraw/zinc/72/82/46/632728246.db2.gz HRQWXXPQDRDCPJ-IWCQGFGOSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000817905780 632728312 /nfs/dbraw/zinc/72/83/12/632728312.db2.gz NUQLYBQSWNBERN-SBMIAAHKSA-N 2 0 291.222 2.742 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000817911513 632730957 /nfs/dbraw/zinc/73/09/57/632730957.db2.gz AADOGUJQYXWHKP-FRRDWIJNSA-N 2 0 270.442 2.667 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817912293 632731443 /nfs/dbraw/zinc/73/14/43/632731443.db2.gz GELOEXIBHYRVLS-KSZLIROESA-N 2 0 282.387 2.629 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000817916445 632731722 /nfs/dbraw/zinc/73/17/22/632731722.db2.gz ZPDKFVYOFSRWFW-HUUCEWRRSA-N 2 0 273.405 2.728 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817917642 632733098 /nfs/dbraw/zinc/73/30/98/632733098.db2.gz QPZWAZGSSHODFR-IKGGRYGDSA-N 2 0 288.435 2.750 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000817923075 632736945 /nfs/dbraw/zinc/73/69/45/632736945.db2.gz QYJKXRRNVUHOEI-UHOFOFEASA-N 2 0 296.842 2.525 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H](O)c1ccccc1 ZINC000817926805 632737646 /nfs/dbraw/zinc/73/76/46/632737646.db2.gz AHJDMVLTHLGQIY-LQKXBSAESA-N 2 0 264.413 2.604 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000817929119 632738648 /nfs/dbraw/zinc/73/86/48/632738648.db2.gz DWMZQJATIOALNA-BHDSKKPTSA-N 2 0 252.789 2.523 20 0 CFADRP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)c1ccccc1 ZINC000817927240 632738694 /nfs/dbraw/zinc/73/86/94/632738694.db2.gz HXNBLVJBIRNPIX-CIQAELJKSA-N 2 0 288.435 2.761 20 0 CFADRP Fc1cnc(Cl)c(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817933589 632740654 /nfs/dbraw/zinc/74/06/54/632740654.db2.gz LETAQKKPEPBLGS-MELADBBJSA-N 2 0 297.805 2.884 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000817935579 632742156 /nfs/dbraw/zinc/74/21/56/632742156.db2.gz JAXVBBUNZJRQLB-INIZCTEOSA-N 2 0 274.408 2.804 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000817943976 632746171 /nfs/dbraw/zinc/74/61/71/632746171.db2.gz UERVFYRFNWIULS-CQSZACIVSA-N 2 0 264.413 2.962 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817948485 632749494 /nfs/dbraw/zinc/74/94/94/632749494.db2.gz KOKIBSWBFYDMGK-DLBZAZTESA-N 2 0 290.451 2.871 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cccc(O)c1 ZINC000817950228 632750421 /nfs/dbraw/zinc/75/04/21/632750421.db2.gz WSTQTTPNMAMBEG-CYBMUJFWSA-N 2 0 270.376 2.744 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817953327 632752293 /nfs/dbraw/zinc/75/22/93/632752293.db2.gz KNQHSGHPCODPGB-ZDUSSCGKSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817954127 632753885 /nfs/dbraw/zinc/75/38/85/632753885.db2.gz WTFWHSJCPQTQNE-JGVFFNPUSA-N 2 0 276.211 2.964 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccnc1Cl ZINC000817964998 632763257 /nfs/dbraw/zinc/76/32/57/632763257.db2.gz MFXCRVYPKSFGOZ-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817968526 632767293 /nfs/dbraw/zinc/76/72/93/632767293.db2.gz KZOWXXXGHJKOQY-PWSUYJOCSA-N 2 0 253.777 2.528 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817968527 632767790 /nfs/dbraw/zinc/76/77/90/632767790.db2.gz KZOWXXXGHJKOQY-ZYHUDNBSSA-N 2 0 253.777 2.528 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC ZINC000817970237 632768846 /nfs/dbraw/zinc/76/88/46/632768846.db2.gz PEEAMIZFDWKBER-APHBMKBZSA-N 2 0 292.423 2.762 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000817970707 632770226 /nfs/dbraw/zinc/77/02/26/632770226.db2.gz CPXMFNVVIMLWAS-MBNYWOFBSA-N 2 0 250.361 2.925 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000817971696 632771339 /nfs/dbraw/zinc/77/13/39/632771339.db2.gz PECYEGHJNFNBHN-UHOFOFEASA-N 2 0 274.408 2.660 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc2c(c1)CCO2 ZINC000817976373 632774111 /nfs/dbraw/zinc/77/41/11/632774111.db2.gz KWCCGRIPEYHGAS-DOTOQJQBSA-N 2 0 286.419 2.804 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1nc(Br)cs1 ZINC000817977160 632775441 /nfs/dbraw/zinc/77/54/41/632775441.db2.gz CSZRZJXJZYVNNQ-JGVFFNPUSA-N 2 0 292.246 2.684 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Br)nc1 ZINC000817981707 632778737 /nfs/dbraw/zinc/77/87/37/632778737.db2.gz MZIPIHDPQNAXAD-UMNHJUIQSA-N 2 0 298.228 2.622 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccnc1Cl ZINC000817982653 632780318 /nfs/dbraw/zinc/78/03/18/632780318.db2.gz VCJKIOMPWGQPKC-HBNTYKKESA-N 2 0 253.777 2.513 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccnc1Cl)CC[NH2+]CC2 ZINC000818339832 632832692 /nfs/dbraw/zinc/83/26/92/632832692.db2.gz DZWIQQMTHLYNIS-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000818940830 632911146 /nfs/dbraw/zinc/91/11/46/632911146.db2.gz GXDCWGYNDMQEBL-QGZVFWFLSA-N 2 0 294.414 2.630 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000818979773 632920334 /nfs/dbraw/zinc/92/03/34/632920334.db2.gz ALAYBNBDAKEZST-XJKSGUPXSA-N 2 0 296.842 2.695 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000818990110 632924087 /nfs/dbraw/zinc/92/40/87/632924087.db2.gz UIXXTOLOQAGHTG-INIZCTEOSA-N 2 0 296.842 2.695 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)C(C)(C)C ZINC000819081995 632957505 /nfs/dbraw/zinc/95/75/05/632957505.db2.gz NALLQHNCSWUXPX-JKSUJKDBSA-N 2 0 296.430 2.815 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000819102683 632965584 /nfs/dbraw/zinc/96/55/84/632965584.db2.gz NZVVCADKADIUOW-IUODEOHRSA-N 2 0 298.858 2.939 20 0 CFADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000819334589 633089451 /nfs/dbraw/zinc/08/94/51/633089451.db2.gz ZSEMLMKQHWEYCS-QGZVFWFLSA-N 2 0 294.414 2.715 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)CCO2 ZINC000848557206 633288769 /nfs/dbraw/zinc/28/87/69/633288769.db2.gz GNGJYPVJKCRZAP-IOASZLSFSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000848558468 633288793 /nfs/dbraw/zinc/28/87/93/633288793.db2.gz QJIQZBDHXZKLKI-UTUOFQBUSA-N 2 0 267.804 2.726 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000848715259 633322982 /nfs/dbraw/zinc/32/29/82/633322982.db2.gz RWDORDWRMWERIZ-SQNIBIBYSA-N 2 0 284.403 2.733 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848718304 633323816 /nfs/dbraw/zinc/32/38/16/633323816.db2.gz IBBOTQNVIQXSQO-HUUCEWRRSA-N 2 0 262.397 2.623 20 0 CFADRP C[NH+](C)C1(CNC(=[NH2+])NC2CCCCCC2)CCCC1 ZINC000848981226 633414954 /nfs/dbraw/zinc/41/49/54/633414954.db2.gz HAEZZGAYAATNBS-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCC[NH+](C)C ZINC000848990023 633418869 /nfs/dbraw/zinc/41/88/69/633418869.db2.gz SKJHFDOGSQTNHD-CQSZACIVSA-N 2 0 270.465 2.657 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])NC2CCCC2)C1 ZINC000848990084 633419258 /nfs/dbraw/zinc/41/92/58/633419258.db2.gz XNTCZHVTPUGGRD-HUUCEWRRSA-N 2 0 294.487 2.801 20 0 CFADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])NC1CCCCCC1 ZINC000848994022 633450670 /nfs/dbraw/zinc/45/06/70/633450670.db2.gz IDFOAVLOGCONSH-UHFFFAOYSA-N 2 0 268.449 2.601 20 0 CFADRP COc1ccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000848995510 633451201 /nfs/dbraw/zinc/45/12/01/633451201.db2.gz NMTVGEQRBFXCCS-ZDUSSCGKSA-N 2 0 290.411 2.506 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997004 633451825 /nfs/dbraw/zinc/45/18/25/633451825.db2.gz FUWJDRWCVRAMGC-HNNXBMFYSA-N 2 0 282.476 2.945 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@@H](C)CC ZINC000848998458 633453168 /nfs/dbraw/zinc/45/31/68/633453168.db2.gz KIJQSWLITIEIHK-KBPBESRZSA-N 2 0 268.449 2.553 20 0 CFADRP C[C@H](CCNC(=[NH2+])NC1CCC1)[N@H+](C)Cc1ccccc1 ZINC000849003142 633455172 /nfs/dbraw/zinc/45/51/72/633455172.db2.gz LLEVVBSCHGXACC-CQSZACIVSA-N 2 0 288.439 2.563 20 0 CFADRP CC(C)(CNC(=[NH2+])N1CCCCCC1)C[NH+]1CCCC1 ZINC000849022026 633465312 /nfs/dbraw/zinc/46/53/12/633465312.db2.gz SQVPVODSRPEGJL-UHFFFAOYSA-N 2 0 280.460 2.509 20 0 CFADRP Cc1ccc(NC(=[NH2+])NCC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000849041617 633476746 /nfs/dbraw/zinc/47/67/46/633476746.db2.gz SUZKZXOYOXWPNC-HNNXBMFYSA-N 2 0 288.439 2.972 20 0 CFADRP CCCCCCNC(=[NH2+])NCC1([NH+](C)C)CCCCC1 ZINC000849053215 633481796 /nfs/dbraw/zinc/48/17/96/633481796.db2.gz MZDYGCQVKNZTDG-UHFFFAOYSA-N 2 0 282.476 2.945 20 0 CFADRP CC1(C)CCC[N@H+](CCNC(=[NH2+])NC2CCCCCC2)C1 ZINC000849105408 633486152 /nfs/dbraw/zinc/48/61/52/633486152.db2.gz KRLOMQCDBKDNSN-UHFFFAOYSA-N 2 0 294.487 2.945 20 0 CFADRP FC(F)(F)SCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925486542 633794193 /nfs/dbraw/zinc/79/41/93/633794193.db2.gz RMCSAUDIVIKRCK-RYUDHWBXSA-N 2 0 296.402 2.997 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000850383009 633969012 /nfs/dbraw/zinc/96/90/12/633969012.db2.gz GDXTVHSBTFKSDV-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000850410306 633981742 /nfs/dbraw/zinc/98/17/42/633981742.db2.gz RBXWGRKLVZHFNN-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000850410303 633982360 /nfs/dbraw/zinc/98/23/60/633982360.db2.gz RBXWGRKLVZHFNN-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858163023 636145143 /nfs/dbraw/zinc/14/51/43/636145143.db2.gz USYVIIDFWHYDNA-DJIMGWMZSA-N 2 0 290.451 2.879 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000850441513 633994332 /nfs/dbraw/zinc/99/43/32/633994332.db2.gz ARXNJXWTOCHKCL-GFCCVEGCSA-N 2 0 276.465 2.930 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2SCCS2)[C@H]2CCC[C@@H]21 ZINC000850568707 634055920 /nfs/dbraw/zinc/05/59/20/634055920.db2.gz GQNYUCBERWVVPU-AGIUHOORSA-N 2 0 286.510 2.645 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000850585632 634061978 /nfs/dbraw/zinc/06/19/78/634061978.db2.gz XOSPQYRBBCULBR-CQSZACIVSA-N 2 0 290.455 2.501 20 0 CFADRP CCC[N@@H+]1Cc2cccc(NC(=O)C=C3CC[NH2+]CC3)c2C1 ZINC000852864366 634850619 /nfs/dbraw/zinc/85/06/19/634850619.db2.gz TZGMRTQASQDBFT-UHFFFAOYSA-N 2 0 299.418 2.661 20 0 CFADRP C(C[NH+]1CCC([NH2+]CC2CC2)CC1)C1SCCS1 ZINC000853022784 634879884 /nfs/dbraw/zinc/87/98/84/634879884.db2.gz FGHYYSOBWLULBO-UHFFFAOYSA-N 2 0 286.510 2.647 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc3ccccc32)C1 ZINC000854221204 635261480 /nfs/dbraw/zinc/26/14/80/635261480.db2.gz IQAVHIZPLVXSBY-IIDMSEBBSA-N 2 0 284.403 2.733 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000854230058 635266143 /nfs/dbraw/zinc/26/61/43/635266143.db2.gz FMLUYEOXQXEARE-SWLSCSKDSA-N 2 0 262.397 2.646 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc3c(c2)CCO3)C1 ZINC000925489828 635730595 /nfs/dbraw/zinc/73/05/95/635730595.db2.gz RSOVEIJBHOLPPV-HOTGVXAUSA-N 2 0 288.435 2.660 20 0 CFADRP CCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597871 635834886 /nfs/dbraw/zinc/83/48/86/635834886.db2.gz COCOQRKPVSXLLA-KRWDZBQOSA-N 2 0 291.439 2.785 20 0 CFADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C(C)C)C2)ccn1 ZINC000856597658 635834942 /nfs/dbraw/zinc/83/49/42/635834942.db2.gz AWMVYWJRWCLAJX-QGZVFWFLSA-N 2 0 291.439 2.783 20 0 CFADRP Cc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccn1 ZINC000856740473 635844904 /nfs/dbraw/zinc/84/49/04/635844904.db2.gz GHJWQJAFBNVGEQ-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857846225 636030748 /nfs/dbraw/zinc/03/07/48/636030748.db2.gz ADCUAZANZCQSQK-GDBMZVCRSA-N 2 0 290.455 2.889 20 0 CFADRP Cc1cc(C[NH2+]CCCCCCC[NH+](C)C)ccn1 ZINC000858108493 636127947 /nfs/dbraw/zinc/12/79/47/636127947.db2.gz HEQUMOMAGFZJGO-UHFFFAOYSA-N 2 0 263.429 2.992 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858147643 636140098 /nfs/dbraw/zinc/14/00/98/636140098.db2.gz WKPWNCDBKJSDQA-JHJVBQTASA-N 2 0 256.459 2.733 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCO1 ZINC000858245453 636162683 /nfs/dbraw/zinc/16/26/83/636162683.db2.gz INQXEDAQTGFRIE-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP OCc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc[nH+]1 ZINC000858316612 636187121 /nfs/dbraw/zinc/18/71/21/636187121.db2.gz ZLIUQOKMFGIUEO-GOSISDBHSA-N 2 0 297.402 2.823 20 0 CFADRP CCC[C@H](C)CCC[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000858405895 636222134 /nfs/dbraw/zinc/22/21/34/636222134.db2.gz UMBUAQYVHLNUIT-HRCADAONSA-N 2 0 270.461 2.638 20 0 CFADRP OCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000090080598 650276218 /nfs/dbraw/zinc/27/62/18/650276218.db2.gz IAGZGUPHSRAIMS-KRWDZBQOSA-N 2 0 280.456 2.534 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000862523107 637406065 /nfs/dbraw/zinc/40/60/65/637406065.db2.gz RJBIQPFQEZELSK-HNNXBMFYSA-N 2 0 296.455 2.572 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cc2c1 ZINC000863539566 637688432 /nfs/dbraw/zinc/68/84/32/637688432.db2.gz FEOQGSLVUNRJIJ-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000863544418 637691851 /nfs/dbraw/zinc/69/18/51/637691851.db2.gz SYDKTFBAHHTNDS-KBMXLJTQSA-N 2 0 294.439 2.539 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000120520155 638278760 /nfs/dbraw/zinc/27/87/60/638278760.db2.gz WJUKZYUIXFUBJA-LRDDRELGSA-N 2 0 296.842 2.693 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865475993 638363625 /nfs/dbraw/zinc/36/36/25/638363625.db2.gz IJAKQWRRUWDAAN-LLVKDONJSA-N 2 0 287.329 2.665 20 0 CFADRP c1cc(C[NH2+]CC[C@@H]2CCSC2)n(-c2cc[nH+]cc2)n1 ZINC000865651078 638488072 /nfs/dbraw/zinc/48/80/72/638488072.db2.gz NNVRHVAHIBWGPU-CYBMUJFWSA-N 2 0 288.420 2.500 20 0 CFADRP CS[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000865734055 638542796 /nfs/dbraw/zinc/54/27/96/638542796.db2.gz GPEFSTGCYLKFGV-KOMQPUFPSA-N 2 0 294.464 2.611 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1(C)C ZINC000865759969 638558397 /nfs/dbraw/zinc/55/83/97/638558397.db2.gz WJONQMGOHGUKSM-PMPSAXMXSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc3nccn32)CC1 ZINC000865765027 638562454 /nfs/dbraw/zinc/56/24/54/638562454.db2.gz IWIVQTVBSZYPHF-UHFFFAOYSA-N 2 0 286.423 2.687 20 0 CFADRP Cc1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)on1 ZINC000865774476 638564281 /nfs/dbraw/zinc/56/42/81/638564281.db2.gz JGDKNKJHGHVRPQ-UHFFFAOYSA-N 2 0 299.418 2.736 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)CC1(C)C ZINC000865776684 638566898 /nfs/dbraw/zinc/56/68/98/638566898.db2.gz GNUAVDWJRBVXKJ-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP CN1Cc2ccccc2[C@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000865806980 638584475 /nfs/dbraw/zinc/58/44/75/638584475.db2.gz VOABEMVMGUCSQF-DOTOQJQBSA-N 2 0 287.451 2.636 20 0 CFADRP C[N@@H+]1CCC[C@@H](CCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865872974 638631785 /nfs/dbraw/zinc/63/17/85/638631785.db2.gz YAGPPVNQDQSRFX-NSHDSACASA-N 2 0 287.329 2.666 20 0 CFADRP CC[C@@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865873703 638633379 /nfs/dbraw/zinc/63/33/79/638633379.db2.gz HAMLHCXUWKZVGS-CABCVRRESA-N 2 0 282.472 2.923 20 0 CFADRP COc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC000866126389 638750243 /nfs/dbraw/zinc/75/02/43/638750243.db2.gz TUVBEJHOZCNMLU-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(c3cc[nH+]c4ccccc43)CC[C@H]21 ZINC000866204211 638769593 /nfs/dbraw/zinc/76/95/93/638769593.db2.gz BDKJGMPUHDHEKC-XJKSGUPXSA-N 2 0 267.376 2.765 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000866236696 638776874 /nfs/dbraw/zinc/77/68/74/638776874.db2.gz BSMXHRFEXARPSI-HYVNUMGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866283249 638788958 /nfs/dbraw/zinc/78/89/58/638788958.db2.gz WQMKYWZOKSEMLF-HZMVEIRTSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000866283423 638789203 /nfs/dbraw/zinc/78/92/03/638789203.db2.gz XYCPPSFCTVJKBD-PVAVHDDUSA-N 2 0 275.440 2.865 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000866336223 638798372 /nfs/dbraw/zinc/79/83/72/638798372.db2.gz IVOFHOGEJYJKMN-OAHLLOKOSA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000866467662 638826268 /nfs/dbraw/zinc/82/62/68/638826268.db2.gz NCCMGBOLXAMKNK-NVXWUHKLSA-N 3 0 281.488 2.569 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866509980 638832498 /nfs/dbraw/zinc/83/24/98/638832498.db2.gz HFZCSYXBMJTUMN-SJLPKXTDSA-N 2 0 294.483 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)[C@H](C)C1 ZINC000866517036 638834433 /nfs/dbraw/zinc/83/44/33/638834433.db2.gz VGISFCQFJYVOLQ-GYXIZQIFSA-N 3 0 281.488 2.569 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1C ZINC000866516953 638834450 /nfs/dbraw/zinc/83/44/50/638834450.db2.gz FAALLIJRZUJTBY-VQCLRJIVSA-N 2 0 278.444 2.642 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516760 638834517 /nfs/dbraw/zinc/83/45/17/638834517.db2.gz UDEIYTBBWDNNKK-ZOODHJKOSA-N 2 0 264.417 2.632 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nc1Cl ZINC000866665228 638862549 /nfs/dbraw/zinc/86/25/49/638862549.db2.gz FNJLHVOENGXGMF-CQSZACIVSA-N 2 0 293.842 2.865 20 0 CFADRP CC1(C)CC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)OC1 ZINC000866668669 638863735 /nfs/dbraw/zinc/86/37/35/638863735.db2.gz HSZCWCKUUKIHKV-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOc2ccccc2)C1 ZINC000866704957 638868363 /nfs/dbraw/zinc/86/83/63/638868363.db2.gz RGLCMEZFWMPUCD-QGZVFWFLSA-N 2 0 276.424 2.762 20 0 CFADRP Cc1ccncc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707612 638868735 /nfs/dbraw/zinc/86/87/35/638868735.db2.gz IVGJBGXAMCSHLY-INIZCTEOSA-N 2 0 261.413 2.587 20 0 CFADRP Cc1cnccc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709059 638868918 /nfs/dbraw/zinc/86/89/18/638868918.db2.gz PAGDAHMIYFUFPK-MRXNPFEDSA-N 2 0 261.413 2.587 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000866706108 638869324 /nfs/dbraw/zinc/86/93/24/638869324.db2.gz LYYBZNLOTWKZIJ-QGZVFWFLSA-N 2 0 294.414 2.901 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C1CC1 ZINC000872025205 641557065 /nfs/dbraw/zinc/55/70/65/641557065.db2.gz IBRHOIMNLNLVKN-ZNMIVQPWSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000872030728 641560394 /nfs/dbraw/zinc/56/03/94/641560394.db2.gz BEQFUTBBQRKTDD-GVDBMIGSSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C(C)(C)CC ZINC000872032204 641563219 /nfs/dbraw/zinc/56/32/19/641563219.db2.gz QDXGEDRDKKUVRL-JKSUJKDBSA-N 2 0 283.504 2.674 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1CCCOC1 ZINC000872067629 641598640 /nfs/dbraw/zinc/59/86/40/641598640.db2.gz QXPFSXOGSVXWBQ-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCOC1 ZINC000872087152 641621713 /nfs/dbraw/zinc/62/17/13/641621713.db2.gz GKRTUUVPTHADPL-KURKYZTESA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC000872134513 641662604 /nfs/dbraw/zinc/66/26/04/641662604.db2.gz WSUYLLQJZCHBEO-IKGGRYGDSA-N 2 0 290.451 2.961 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(CCC2)CO1 ZINC000872143927 641671692 /nfs/dbraw/zinc/67/16/92/641671692.db2.gz RNKGOQMYTVFGEI-KRWDZBQOSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000872146114 641674186 /nfs/dbraw/zinc/67/41/86/641674186.db2.gz GAVPXVZPGTWPAW-CABCVRRESA-N 2 0 290.455 2.712 20 0 CFADRP c1ccc2c(c1)CC[C@@]21CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000872146355 641674300 /nfs/dbraw/zinc/67/43/00/641674300.db2.gz LZIOQZDFYCOXJV-YJBOKZPZSA-N 2 0 270.420 2.576 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c2ccccc2n1 ZINC000872153522 641676087 /nfs/dbraw/zinc/67/60/87/641676087.db2.gz BTTBDKAZGJJKHW-MAUKXSAKSA-N 2 0 281.403 2.585 20 0 CFADRP CC(C)N(C(=O)C[N@H+](C)CCCCCC[NH3+])C1CCCC1 ZINC000872155133 641676208 /nfs/dbraw/zinc/67/62/08/641676208.db2.gz DPRSOZDMNWGRLL-UHFFFAOYSA-N 2 0 297.487 2.617 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCC(=O)Nc1cccc(F)c1 ZINC000872155779 641677171 /nfs/dbraw/zinc/67/71/71/641677171.db2.gz ZEMZOHHREZOAOR-UHFFFAOYSA-N 2 0 295.402 2.605 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000872251457 641717470 /nfs/dbraw/zinc/71/74/70/641717470.db2.gz JHDCCAGIYKASAJ-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000872257921 641721327 /nfs/dbraw/zinc/72/13/27/641721327.db2.gz MEMOBSCCTXKUSC-DFBGVHRSSA-N 2 0 275.396 2.552 20 0 CFADRP CC(C)[NH+]1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872395277 641790476 /nfs/dbraw/zinc/79/04/76/641790476.db2.gz GAKZBZHDESAMHF-UHFFFAOYSA-N 2 0 259.397 2.666 20 0 CFADRP C[C@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccncc1 ZINC000873212621 642070450 /nfs/dbraw/zinc/07/04/50/642070450.db2.gz QEQAIMXWVGIZBO-GFCCVEGCSA-N 2 0 287.432 2.682 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000873220183 642073055 /nfs/dbraw/zinc/07/30/55/642073055.db2.gz LCMQIFWOURMHBG-QWHCGFSZSA-N 2 0 264.388 2.734 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221487 642073728 /nfs/dbraw/zinc/07/37/28/642073728.db2.gz SZMPQGXCXAUPCL-LSDHHAIUSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220182 642073816 /nfs/dbraw/zinc/07/38/16/642073816.db2.gz LCMQIFWOURMHBG-OLZOCXBDSA-N 2 0 264.388 2.734 20 0 CFADRP C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000873221043 642074120 /nfs/dbraw/zinc/07/41/20/642074120.db2.gz YNGHVEBHIKOBQN-JTQLQIEISA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CCC2)C1CC[NH2+]CC1 ZINC000873221038 642074447 /nfs/dbraw/zinc/07/44/47/642074447.db2.gz YGLKRXWYBUJVDR-CYBMUJFWSA-N 2 0 258.409 2.653 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000873223204 642076170 /nfs/dbraw/zinc/07/61/70/642076170.db2.gz ITIFMALBQMCWNF-QGZVFWFLSA-N 2 0 291.439 2.677 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000873222433 642076666 /nfs/dbraw/zinc/07/66/66/642076666.db2.gz SDWKVNVPBQDZHM-HNNXBMFYSA-N 2 0 287.451 2.633 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1O ZINC000873223679 642077025 /nfs/dbraw/zinc/07/70/25/642077025.db2.gz QXMGTIITIIJPNV-QGZVFWFLSA-N 2 0 292.423 2.598 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000873223741 642077127 /nfs/dbraw/zinc/07/71/27/642077127.db2.gz RRCPMPJYUFFCLI-BFHYXJOUSA-N 2 0 262.397 2.734 20 0 CFADRP COCCC1([NH2+]C[C@H](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000873224663 642078468 /nfs/dbraw/zinc/07/84/68/642078468.db2.gz FJAGJRJFAISHJO-MRXNPFEDSA-N 2 0 290.451 2.614 20 0 CFADRP COCCC1([NH2+]C[C@H]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000873224552 642078487 /nfs/dbraw/zinc/07/84/87/642078487.db2.gz FOPGKKJTLJFIAA-HUUCEWRRSA-N 2 0 268.445 2.561 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223815 642078496 /nfs/dbraw/zinc/07/84/96/642078496.db2.gz SSSIBPDGHBXXBM-QGZVFWFLSA-N 2 0 292.471 2.969 20 0 CFADRP C[C@H]([NH2+]Cc1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000873223971 642078601 /nfs/dbraw/zinc/07/86/01/642078601.db2.gz VUKPKKZMTFPSOH-LBPRGKRZSA-N 2 0 258.365 2.911 20 0 CFADRP COCCC1([NH2+]C/C=C/c2ccc(F)cc2)CC[NH2+]CC1 ZINC000873224787 642078784 /nfs/dbraw/zinc/07/87/84/642078784.db2.gz MGHJUHOXWZCEKY-NSCUHMNNSA-N 2 0 292.398 2.587 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccc(O)c2)C1 ZINC000873224223 642078799 /nfs/dbraw/zinc/07/87/99/642078799.db2.gz XRNUTDPOQYHKJV-INIZCTEOSA-N 2 0 262.397 2.589 20 0 CFADRP Cc1csc([C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000873226811 642079512 /nfs/dbraw/zinc/07/95/12/642079512.db2.gz BXJCLUGNCXISEX-IACUBPJLSA-N 2 0 279.453 2.629 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CC1=Cc2ccccc2OC1 ZINC000873231921 642085933 /nfs/dbraw/zinc/08/59/33/642085933.db2.gz ZGUIWJFPZRPCBG-UHFFFAOYSA-N 2 0 274.408 2.913 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873233072 642086697 /nfs/dbraw/zinc/08/66/97/642086697.db2.gz YNNXPPGQPLZLBO-CQSZACIVSA-N 2 0 279.453 2.854 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000873242161 642091922 /nfs/dbraw/zinc/09/19/22/642091922.db2.gz MIYJDTCXRGQVAY-DLBZAZTESA-N 3 0 281.488 2.747 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000873243566 642092135 /nfs/dbraw/zinc/09/21/35/642092135.db2.gz YJLIPYNPJNHOFA-RDJZCZTQSA-N 3 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000873246484 642093475 /nfs/dbraw/zinc/09/34/75/642093475.db2.gz ZULKPHWOIJDCPV-CVEARBPZSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873249481 642095606 /nfs/dbraw/zinc/09/56/06/642095606.db2.gz AUVTVPIBXHCWRH-QWRGUYRKSA-N 2 0 284.391 2.650 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1C ZINC000873249439 642095691 /nfs/dbraw/zinc/09/56/91/642095691.db2.gz AAUCXWAMDGTSRS-MCIONIFRSA-N 2 0 262.397 2.700 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000873248651 642095725 /nfs/dbraw/zinc/09/57/25/642095725.db2.gz CWFFALNBFPODNF-WCVJEAGWSA-N 2 0 273.424 2.743 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCSCCC(F)(F)F)C1 ZINC000873251862 642098023 /nfs/dbraw/zinc/09/80/23/642098023.db2.gz LZGWTRYVSCCPJY-VHSXEESVSA-N 2 0 270.364 2.532 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252938 642099105 /nfs/dbraw/zinc/09/91/05/642099105.db2.gz SSNSLLWDJSYBQK-ADHGMGHFSA-N 2 0 292.467 2.559 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000873254087 642099626 /nfs/dbraw/zinc/09/96/26/642099626.db2.gz KNNJGYOJWVNGAN-IVMMDQJWSA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000873254169 642099733 /nfs/dbraw/zinc/09/97/33/642099733.db2.gz MHPGTYZMIVSTEP-BHYNMZESSA-N 2 0 295.224 2.763 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000873254441 642100174 /nfs/dbraw/zinc/10/01/74/642100174.db2.gz UBJMZGSKDKWOCH-KKZNHRDASA-N 2 0 256.752 2.867 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000873253719 642100208 /nfs/dbraw/zinc/10/02/08/642100208.db2.gz DAMYWICHLFBNTP-BHYNMZESSA-N 2 0 250.773 2.654 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000873255109 642100874 /nfs/dbraw/zinc/10/08/74/642100874.db2.gz DEBZVZLSHGWSPF-DAXOMENPSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000873255009 642100983 /nfs/dbraw/zinc/10/09/83/642100983.db2.gz CSZJQGSUKJEQAG-NDMJEZRESA-N 2 0 266.385 2.690 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000873255229 642101075 /nfs/dbraw/zinc/10/10/75/642101075.db2.gz FAZHSDCKVVAQNS-QSPRXWTASA-N 2 0 258.409 2.824 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873256150 642101479 /nfs/dbraw/zinc/10/14/79/642101479.db2.gz KNKHEGXNTIIDBU-MGBSGCIJSA-N 2 0 292.398 2.620 20 0 CFADRP Cc1cc([C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000873258480 642103653 /nfs/dbraw/zinc/10/36/53/642103653.db2.gz RJJLMYHJVZXBLT-MZMPZRCHSA-N 2 0 299.393 2.945 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259713 642104272 /nfs/dbraw/zinc/10/42/72/642104272.db2.gz KDTNPKQRABJTJQ-IPJQOSJUSA-N 2 0 274.383 2.933 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873260026 642104529 /nfs/dbraw/zinc/10/45/29/642104529.db2.gz QVQSCPVEYRNBGB-XJFOESAGSA-N 2 0 291.464 2.949 20 0 CFADRP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261790 642106423 /nfs/dbraw/zinc/10/64/23/642106423.db2.gz RYSIGPBQESFNKN-QVHKTLOISA-N 2 0 260.381 2.777 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C1CC[NH2+]CC1 ZINC000873267750 642110168 /nfs/dbraw/zinc/11/01/68/642110168.db2.gz IYMVVPZREICPKP-MNOVXSKESA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873267075 642110402 /nfs/dbraw/zinc/11/04/02/642110402.db2.gz WHCQAOJTZHZAKO-RYRKJORJSA-N 2 0 289.467 2.757 20 0 CFADRP CCC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000873268619 642110853 /nfs/dbraw/zinc/11/08/53/642110853.db2.gz FWJRCUQGGCYJOG-CZUORRHYSA-N 2 0 261.413 2.901 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873268862 642110976 /nfs/dbraw/zinc/11/09/76/642110976.db2.gz IIBREYNPUBNDKM-YUELXQCFSA-N 2 0 268.445 2.556 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)oc1C ZINC000873268292 642111112 /nfs/dbraw/zinc/11/11/12/642111112.db2.gz BQJOVPPUUZESLT-VXGBXAGGSA-N 2 0 250.386 2.935 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000873271322 642112457 /nfs/dbraw/zinc/11/24/57/642112457.db2.gz GVDOQFCNLWSIRU-UONOGXRCSA-N 2 0 275.440 2.791 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873271863 642112642 /nfs/dbraw/zinc/11/26/42/642112642.db2.gz MSEYUDZHMQRADL-QWRGUYRKSA-N 2 0 297.830 2.782 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccnc1Cl ZINC000873272136 642113392 /nfs/dbraw/zinc/11/33/92/642113392.db2.gz PINKMVNAUBKVHY-QWRGUYRKSA-N 2 0 267.804 2.774 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C[C@@H]1OC ZINC000873272519 642113656 /nfs/dbraw/zinc/11/36/56/642113656.db2.gz UKCATONWJNEHMP-CFVMTHIKSA-N 2 0 268.445 2.558 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272425 642113770 /nfs/dbraw/zinc/11/37/70/642113770.db2.gz SDENEJCKKGGERJ-VBQJREDUSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000873274464 642113957 /nfs/dbraw/zinc/11/39/57/642113957.db2.gz VFPKRQUVCPHWCJ-OLMNPRSZSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000873274463 642114153 /nfs/dbraw/zinc/11/41/53/642114153.db2.gz VFPKRQUVCPHWCJ-JLSDUUJJSA-N 2 0 287.451 2.913 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289500 642122081 /nfs/dbraw/zinc/12/20/81/642122081.db2.gz ITSABCQHQYXJQC-KGLIPLIRSA-N 2 0 294.464 2.866 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873290771 642122660 /nfs/dbraw/zinc/12/26/60/642122660.db2.gz RTJZUUCKFABDLS-LRDDRELGSA-N 2 0 279.403 2.808 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873290380 642122996 /nfs/dbraw/zinc/12/29/96/642122996.db2.gz QBDOULOKEAHUAY-BBRMVZONSA-N 2 0 292.398 2.635 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000873290381 642123202 /nfs/dbraw/zinc/12/32/02/642123202.db2.gz QBDOULOKEAHUAY-CJNGLKHVSA-N 2 0 292.398 2.635 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873290783 642123214 /nfs/dbraw/zinc/12/32/14/642123214.db2.gz RZQVEHREGUJEBJ-OLZOCXBDSA-N 2 0 280.437 2.557 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873291147 642123231 /nfs/dbraw/zinc/12/32/31/642123231.db2.gz URZOEXSGQLMIJM-SJORKVTESA-N 2 0 288.435 2.886 20 0 CFADRP CCCCC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291863 642123858 /nfs/dbraw/zinc/12/38/58/642123858.db2.gz YPRFXZXEOINGDW-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292144 642124184 /nfs/dbraw/zinc/12/41/84/642124184.db2.gz OMLONQDOZJNNCY-HOCLYGCPSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H]1C ZINC000873293788 642124721 /nfs/dbraw/zinc/12/47/21/642124721.db2.gz PFUQZJFOWCUUIL-UGUYLWEFSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873293835 642124735 /nfs/dbraw/zinc/12/47/35/642124735.db2.gz PVYQMBUUXUMFPV-IRXDYDNUSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1C ZINC000873293784 642125039 /nfs/dbraw/zinc/12/50/39/642125039.db2.gz PFUQZJFOWCUUIL-FPCVCCKLSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cs1 ZINC000873294898 642125975 /nfs/dbraw/zinc/12/59/75/642125975.db2.gz VRMAANQYKLKLSN-ZFWWWQNUSA-N 2 0 294.464 2.866 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294391 642126001 /nfs/dbraw/zinc/12/60/01/642126001.db2.gz RNJNADDZVNYCGL-UONOGXRCSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296421 642127360 /nfs/dbraw/zinc/12/73/60/642127360.db2.gz ZNRCFNVIMHGMDL-YJNKEBTESA-N 2 0 273.424 2.607 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2cc(F)ccc2N(C)C)CC[N@@H+]1C ZINC000876766006 643002115 /nfs/dbraw/zinc/00/21/15/643002115.db2.gz YYVLYWWFWKBWCD-BBRMVZONSA-N 2 0 293.430 2.806 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000876811910 643020050 /nfs/dbraw/zinc/02/00/50/643020050.db2.gz IHHMKBRGZGRPEX-UONOGXRCSA-N 2 0 270.486 2.934 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000126298621 643108912 /nfs/dbraw/zinc/10/89/12/643108912.db2.gz UQCZCMINJSVQLO-ZDUSSCGKSA-N 2 0 292.471 2.939 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cccs2)[C@@H](C)C1 ZINC000245419822 650814432 /nfs/dbraw/zinc/81/44/32/650814432.db2.gz HDJVHJVAMBEUOA-DZGCQCFKSA-N 2 0 266.454 2.953 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877073972 643135607 /nfs/dbraw/zinc/13/56/07/643135607.db2.gz WSQMWQCJWSCVGV-GARJFASQSA-N 2 0 265.228 2.643 20 0 CFADRP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000877090927 643147879 /nfs/dbraw/zinc/14/78/79/643147879.db2.gz YGZRJIYEURJBEW-IAGOWNOFSA-N 2 0 294.483 2.924 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CCC(C[NH+](C)C)CC1)OC ZINC000877113595 643157662 /nfs/dbraw/zinc/15/76/62/643157662.db2.gz CTLVWVWHOIOGLK-LMPOIIKSSA-N 2 0 270.461 2.758 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000877479419 643295616 /nfs/dbraw/zinc/29/56/16/643295616.db2.gz UIEZVDZSIDUALE-ZYHUDNBSSA-N 2 0 277.239 2.787 20 0 CFADRP Cc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)sn1 ZINC000877497204 643310085 /nfs/dbraw/zinc/31/00/85/643310085.db2.gz JOJBZPGSAOWJEJ-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CO[C@](C)(C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000877497524 643310177 /nfs/dbraw/zinc/31/01/77/643310177.db2.gz RVBLYCRZTLNQNJ-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000877531444 643335493 /nfs/dbraw/zinc/33/54/93/643335493.db2.gz MWSWXFNKUVEUHR-ZIAGYGMSSA-N 2 0 270.486 2.934 20 0 CFADRP CSC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000877551476 643352155 /nfs/dbraw/zinc/35/21/55/643352155.db2.gz AVJCRTPTYYTQTQ-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP COc1c(C)cnc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000877583797 643379167 /nfs/dbraw/zinc/37/91/67/643379167.db2.gz AUPNLVHGEBUJTO-HNNXBMFYSA-N 2 0 291.439 2.529 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC000877665100 643441971 /nfs/dbraw/zinc/44/19/71/643441971.db2.gz HGJKHIFMFFNFAV-UHFFFAOYSA-N 2 0 290.451 2.785 20 0 CFADRP COCC[N@@H+](Cc1sccc1C)CC1CC[NH+](C)CC1 ZINC000877665576 643442216 /nfs/dbraw/zinc/44/22/16/643442216.db2.gz YSRUGYFJWFCNDT-UHFFFAOYSA-N 2 0 296.480 2.847 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc3nccn31)CC2 ZINC000877683898 643452526 /nfs/dbraw/zinc/45/25/26/643452526.db2.gz AMVMLVQYSOSRIO-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccncc1F)CC2 ZINC000877684807 643453770 /nfs/dbraw/zinc/45/37/70/643453770.db2.gz ZFZHOSFBRGPTKB-UHFFFAOYSA-N 2 0 277.387 2.529 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)o1 ZINC000877684125 643453806 /nfs/dbraw/zinc/45/38/06/643453806.db2.gz HNDPBRSGJYLFQQ-UHFFFAOYSA-N 2 0 277.412 2.599 20 0 CFADRP CC(C)n1cncc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684377 643453848 /nfs/dbraw/zinc/45/38/48/643453848.db2.gz ODILJQYXFMDVCO-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP c1cn(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000126664648 643459366 /nfs/dbraw/zinc/45/93/66/643459366.db2.gz IAQBOCOBUUQWMS-FUHWJXTLSA-N 2 0 296.418 2.589 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000877711264 643477429 /nfs/dbraw/zinc/47/74/29/643477429.db2.gz BHJDGVYFADQMNS-UHFFFAOYSA-N 2 0 260.372 2.883 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000877738675 643503061 /nfs/dbraw/zinc/50/30/61/643503061.db2.gz CKHVIHBSJJLJAW-DLBZAZTESA-N 2 0 258.409 2.564 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(C)c1 ZINC000877739680 643506503 /nfs/dbraw/zinc/50/65/03/643506503.db2.gz GPMSMXWBBLJQPK-DLBZAZTESA-N 2 0 258.409 2.829 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000877742560 643513057 /nfs/dbraw/zinc/51/30/57/643513057.db2.gz FEXCZGUKWDQSEG-SJORKVTESA-N 2 0 258.409 2.829 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000877746107 643525349 /nfs/dbraw/zinc/52/53/49/643525349.db2.gz HYSBYUAVXMPFAQ-IAGOWNOFSA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCSC(C)(C)C)[C@H](C)C1 ZINC000089516287 650846555 /nfs/dbraw/zinc/84/65/55/650846555.db2.gz VEGWGTQUWWANBB-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP Cc1cn[nH]c1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767253 643546263 /nfs/dbraw/zinc/54/62/63/643546263.db2.gz DRHFALHJUORBKA-UHFFFAOYSA-N 2 0 278.444 2.518 20 0 CFADRP CCn1nccc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767929 643546369 /nfs/dbraw/zinc/54/63/69/643546369.db2.gz ZMIIGGQUVMPXQL-UHFFFAOYSA-N 2 0 292.471 2.703 20 0 CFADRP CCn1cncc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767876 643546736 /nfs/dbraw/zinc/54/67/36/643546736.db2.gz XRUXDINTMNAMPK-UHFFFAOYSA-N 2 0 292.471 2.703 20 0 CFADRP CC(C)C[N@@H+](Cc1ccns1)CC1CC[NH+](C)CC1 ZINC000877767523 643546802 /nfs/dbraw/zinc/54/68/02/643546802.db2.gz MAGCTHXIDHWXQV-UHFFFAOYSA-N 2 0 281.469 2.943 20 0 CFADRP CC(C)C[N@@H+](Cc1cccn1C)CC1CC[NH+](C)CC1 ZINC000877767914 643547177 /nfs/dbraw/zinc/54/71/77/643547177.db2.gz YVCNVNWADDZFTP-UHFFFAOYSA-N 2 0 277.456 2.825 20 0 CFADRP CC(C)C[N@H+](CC[C@@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000877767605 643547230 /nfs/dbraw/zinc/54/72/30/643547230.db2.gz PEYJJNVYJHDITO-QGZVFWFLSA-N 2 0 282.472 2.713 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000877971108 643672710 /nfs/dbraw/zinc/67/27/10/643672710.db2.gz VFOJCMTXEABAEZ-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878048703 643712297 /nfs/dbraw/zinc/71/22/97/643712297.db2.gz WBBBXZAHCXYRDI-QGZVFWFLSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878048702 643712996 /nfs/dbraw/zinc/71/29/96/643712996.db2.gz WBBBXZAHCXYRDI-KRWDZBQOSA-N 2 0 294.483 2.998 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)OC1 ZINC000878133793 643754675 /nfs/dbraw/zinc/75/46/75/643754675.db2.gz MQWYKVONXCDDAZ-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878148894 643759755 /nfs/dbraw/zinc/75/97/55/643759755.db2.gz SCDRERLJBRZOHE-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP C=C/C=C\CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155353 643764233 /nfs/dbraw/zinc/76/42/33/643764233.db2.gz ONWNCOCCEVVIJI-ARJAWSKDSA-N 2 0 278.440 2.696 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCC(C)(C)O2)C1 ZINC000878159885 643768087 /nfs/dbraw/zinc/76/80/87/643768087.db2.gz YQXCSXQNNGOBPI-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)C[C@H]1C ZINC000878162291 643768652 /nfs/dbraw/zinc/76/86/52/643768652.db2.gz CYAKMNKUOQIUIF-OWCLPIDISA-N 2 0 280.456 2.750 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(C)(C)OC3(C)C)CC[C@H]21 ZINC000878196425 643788727 /nfs/dbraw/zinc/78/87/27/643788727.db2.gz AQENJTLVZWIGOM-BZUAXINKSA-N 2 0 294.483 2.996 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CC4(CCC4)C3)CC[C@@H]21 ZINC000878198165 643789659 /nfs/dbraw/zinc/78/96/59/643789659.db2.gz UGNYUXUKVFQOHE-HOTGVXAUSA-N 2 0 262.441 2.983 20 0 CFADRP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CC(C)(C)C ZINC000878247796 643806637 /nfs/dbraw/zinc/80/66/37/643806637.db2.gz IBBNXMYMPNWCJR-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(F)(F)F)[C@H](C)C1 ZINC000878258663 643810938 /nfs/dbraw/zinc/81/09/38/643810938.db2.gz TUKYTROETZWXDM-VXGBXAGGSA-N 2 0 282.350 2.575 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1CC2(CCC2)C1 ZINC000878288437 643823679 /nfs/dbraw/zinc/82/36/79/643823679.db2.gz WXGJWRHPALPFGX-IKGGRYGDSA-N 2 0 292.467 2.750 20 0 CFADRP C[C@H]1OCC[C@H]1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878313674 643833577 /nfs/dbraw/zinc/83/35/77/643833577.db2.gz DISOJGNNZSDBQO-PBHICJAKSA-N 2 0 276.424 2.605 20 0 CFADRP CO[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000878314052 643835546 /nfs/dbraw/zinc/83/55/46/643835546.db2.gz KIWBJGVLBMQGMY-CALCHBBNSA-N 2 0 276.424 2.605 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC4(CCC4)O3)C2)C1 ZINC000878652412 643976310 /nfs/dbraw/zinc/97/63/10/643976310.db2.gz PSCNDBVAVJQUNJ-HZPDHXFCSA-N 2 0 278.440 2.506 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC000878689791 643992423 /nfs/dbraw/zinc/99/24/23/643992423.db2.gz MVNNYCWSVDMYHN-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2CC[C@H](OC)C2)CC1 ZINC000879208634 644176270 /nfs/dbraw/zinc/17/62/70/644176270.db2.gz CAXXSDHCNRPDKD-HOTGVXAUSA-N 2 0 280.456 2.894 20 0 CFADRP CCCCOCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248218 644187705 /nfs/dbraw/zinc/18/77/05/644187705.db2.gz PCDXVFPLPQVATH-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CC3(CCC3)CO1)CC2 ZINC000879251267 644194871 /nfs/dbraw/zinc/19/48/71/644194871.db2.gz RUWAFPPEWMETDZ-INIZCTEOSA-N 2 0 292.467 2.753 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCCOC(C)(C)C)CC2 ZINC000879248311 644194950 /nfs/dbraw/zinc/19/49/50/644194950.db2.gz QSDBRBFXWOMKQQ-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCC[C@@H]1CCOC1)CC2 ZINC000879251546 644196059 /nfs/dbraw/zinc/19/60/59/644196059.db2.gz XXMPHDXGUDCVPH-MRXNPFEDSA-N 2 0 280.456 2.611 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCCCO)[C@@H](C)C1 ZINC000247281898 650901998 /nfs/dbraw/zinc/90/19/98/650901998.db2.gz XNEYUNMBSACYKX-HOTGVXAUSA-N 2 0 270.461 2.591 20 0 CFADRP C[N@H+](Cc1cn2cc(Cl)ccc2n1)C1CCC([NH3+])CC1 ZINC000091846803 650909558 /nfs/dbraw/zinc/90/95/58/650909558.db2.gz BEYUYASAAZPVRV-UHFFFAOYSA-N 2 0 292.814 2.689 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580257 644335248 /nfs/dbraw/zinc/33/52/48/644335248.db2.gz GFNJAADLQYSNLR-ZWKOTPCHSA-N 2 0 272.436 2.818 20 0 CFADRP CC[C@H](C[N@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC000879703630 644389586 /nfs/dbraw/zinc/38/95/86/644389586.db2.gz QXKJAOBVSHIJSF-MRXNPFEDSA-N 2 0 270.461 2.711 20 0 CFADRP CC[C@@H](C[N@H+](CC(C)C)CC1CC[NH+](C)CC1)OC ZINC000879703629 644389666 /nfs/dbraw/zinc/38/96/66/644389666.db2.gz QXKJAOBVSHIJSF-INIZCTEOSA-N 2 0 270.461 2.711 20 0 CFADRP CC(C)C[N@H+](CCCCCCO)CC1CC[NH+](C)CC1 ZINC000879704146 644389963 /nfs/dbraw/zinc/38/99/63/644389963.db2.gz MCWKWCIRUGBVEH-UHFFFAOYSA-N 2 0 284.488 2.839 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000092275277 650917225 /nfs/dbraw/zinc/91/72/25/650917225.db2.gz HKPPXBIYQIJFQF-AWEZNQCLSA-N 2 0 276.449 2.807 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC2(O)CCCC2)CC1 ZINC000879948654 644468870 /nfs/dbraw/zinc/46/88/70/644468870.db2.gz ISBBYEXRHZOTSJ-UHFFFAOYSA-N 2 0 280.456 2.632 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CCCn2ccnc2)CC1 ZINC000879950497 644470230 /nfs/dbraw/zinc/47/02/30/644470230.db2.gz RWMIVNQKZAIWST-UHFFFAOYSA-N 2 0 290.455 2.614 20 0 CFADRP CO[C@H]1CC[C@H]([NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC000879950762 644470530 /nfs/dbraw/zinc/47/05/30/644470530.db2.gz BPPJRQSGAQOIOI-HOTGVXAUSA-N 2 0 280.456 2.894 20 0 CFADRP CCCCC[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128234376 644547008 /nfs/dbraw/zinc/54/70/08/644547008.db2.gz QMRPSSCKIPHNPY-MRXNPFEDSA-N 2 0 269.477 2.572 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000093210275 650935117 /nfs/dbraw/zinc/93/51/17/650935117.db2.gz ACKIPSXMRAMNIL-NWDGAFQWSA-N 2 0 270.323 2.648 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000093213381 650935250 /nfs/dbraw/zinc/93/52/50/650935250.db2.gz YEFXOQATQAZUMX-RUJICJSRSA-N 2 0 264.335 2.967 20 0 CFADRP FC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000880236738 644598574 /nfs/dbraw/zinc/59/85/74/644598574.db2.gz HDNMQJWHPWKIFC-GTVVJKOOSA-N 2 0 286.410 2.906 20 0 CFADRP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000880255083 644615062 /nfs/dbraw/zinc/61/50/62/644615062.db2.gz ZOMGPXIBXPLXRF-INIZCTEOSA-N 2 0 282.472 2.734 20 0 CFADRP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC000880260550 644617246 /nfs/dbraw/zinc/61/72/46/644617246.db2.gz QCGBKHYIIDWNDR-OAHLLOKOSA-N 2 0 297.402 2.801 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473930 644728059 /nfs/dbraw/zinc/72/80/59/644728059.db2.gz PXYUSXBTBIPGQQ-KRWDZBQOSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249040531 650952569 /nfs/dbraw/zinc/95/25/69/650952569.db2.gz URFKUKLSBDNYAR-ZMSDIMECSA-N 2 0 278.440 2.922 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000094368446 650957303 /nfs/dbraw/zinc/95/73/03/650957303.db2.gz UWSCCNDODLKHQA-HUUCEWRRSA-N 2 0 278.440 2.552 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1OC ZINC000129012989 644977864 /nfs/dbraw/zinc/97/78/64/644977864.db2.gz BGVCHKJSDAVZHY-ZFWWWQNUSA-N 2 0 262.397 2.878 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000250808815 650980379 /nfs/dbraw/zinc/98/03/79/650980379.db2.gz JOIFJXCLTGLLQP-WNRNVDISSA-N 2 0 288.435 2.620 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000251287850 650986741 /nfs/dbraw/zinc/98/67/41/650986741.db2.gz UJLYMCXYXGBWNA-ULQDDVLXSA-N 2 0 288.435 2.979 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000129973376 645438044 /nfs/dbraw/zinc/43/80/44/645438044.db2.gz IVTTVGHWCGWAMX-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000882952598 645524462 /nfs/dbraw/zinc/52/44/62/645524462.db2.gz ZKDRMHMHHXRJSV-AWEZNQCLSA-N 2 0 289.423 2.561 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CNCc2nc(C(C)C)c[nH]2)C1 ZINC000883073555 645592987 /nfs/dbraw/zinc/59/29/87/645592987.db2.gz UJHKRYGSAVKVBW-OAHLLOKOSA-N 2 0 292.471 2.991 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000130962036 645602363 /nfs/dbraw/zinc/60/23/63/645602363.db2.gz QADMTRTWGUBWGQ-VXGBXAGGSA-N 2 0 258.475 2.979 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000883171226 645638347 /nfs/dbraw/zinc/63/83/47/645638347.db2.gz RXHTXMBRBXWCOB-DOTOQJQBSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000883171229 645638557 /nfs/dbraw/zinc/63/85/57/645638557.db2.gz RXHTXMBRBXWCOB-WBVHZDCISA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CSCCS1 ZINC000253019981 651033840 /nfs/dbraw/zinc/03/38/40/651033840.db2.gz JMQHXZKSHCPLCE-RDBSUJKOSA-N 2 0 288.526 2.735 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000131315720 645696373 /nfs/dbraw/zinc/69/63/73/645696373.db2.gz PCYXVWFZFJZHQB-BPCQOVAHSA-N 2 0 251.349 2.531 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000253200646 651040071 /nfs/dbraw/zinc/04/00/71/651040071.db2.gz XJFFYPZWZXVWFM-UNEWFSDZSA-N 2 0 258.409 2.981 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000131587348 645754899 /nfs/dbraw/zinc/75/48/99/645754899.db2.gz VSUIRDZAUBOURR-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883426998 645821120 /nfs/dbraw/zinc/82/11/20/645821120.db2.gz GDFLYKAFORVRSE-CHWSQXEVSA-N 2 0 260.372 2.873 20 0 CFADRP CC1(C)CCC[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)O1 ZINC000883428062 645821700 /nfs/dbraw/zinc/82/17/00/645821700.db2.gz KWEIRXONYDUAIE-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CN(C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@@H](C[NH3+])C1CC1 ZINC000883428312 645822198 /nfs/dbraw/zinc/82/21/98/645822198.db2.gz QSTCIVPLQQHSSI-OKZBNKHCSA-N 2 0 288.435 2.966 20 0 CFADRP CN(C[C@@H]1CC[C@@H](c2ccccc2)O1)C1(C[NH3+])CCC1 ZINC000883429564 645824598 /nfs/dbraw/zinc/82/45/98/645824598.db2.gz ZDABMASOIWKECC-HOTGVXAUSA-N 2 0 274.408 2.720 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883434880 645828104 /nfs/dbraw/zinc/82/81/04/645828104.db2.gz DDKYUYUNYVHMPC-ROUUACIJSA-N 2 0 288.435 2.968 20 0 CFADRP CC1(C)CC[NH2+]CCN1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883439310 645831638 /nfs/dbraw/zinc/83/16/38/645831638.db2.gz OHBFJLNDTVPXOZ-SJORKVTESA-N 2 0 288.435 2.981 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1)C1CCCC1 ZINC000883440881 645834414 /nfs/dbraw/zinc/83/44/14/645834414.db2.gz BTXATZDDFUBRKN-WMLDXEAASA-N 2 0 290.455 2.572 20 0 CFADRP c1csc([C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000883448499 645836815 /nfs/dbraw/zinc/83/68/15/645836815.db2.gz HBGNQQHBNYHUCI-OAHLLOKOSA-N 2 0 299.443 2.778 20 0 CFADRP COCC[N@H+]1[C@H](C)CN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000131865716 645839758 /nfs/dbraw/zinc/83/97/58/645839758.db2.gz RVVDHJSLHBLVJR-GASCZTMLSA-N 2 0 299.418 2.780 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CC[NH2+]CCC34CCC4)cc2)cn1 ZINC000883458590 645842023 /nfs/dbraw/zinc/84/20/23/645842023.db2.gz PMGMGYOUGKBOQF-UHFFFAOYSA-N 2 0 296.418 2.590 20 0 CFADRP c1ccc([C@H]2CSCCC[N@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000883460972 645843870 /nfs/dbraw/zinc/84/38/70/645843870.db2.gz LOKKNKMCQNEPEI-GDBMZVCRSA-N 2 0 276.449 2.776 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000305114817 651050404 /nfs/dbraw/zinc/05/04/04/651050404.db2.gz HNMBXNPAMGGPEC-SUMWQHHRSA-N 2 0 294.414 2.712 20 0 CFADRP C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000132008415 645862738 /nfs/dbraw/zinc/86/27/38/645862738.db2.gz YEBNYSJQJLCYSK-RYUDHWBXSA-N 2 0 252.789 2.990 20 0 CFADRP c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000135373603 646527399 /nfs/dbraw/zinc/52/73/99/646527399.db2.gz FMOCAMDYIBRZBQ-CQSZACIVSA-N 2 0 281.403 2.809 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000885924351 646770205 /nfs/dbraw/zinc/77/02/05/646770205.db2.gz OBWUDAXVCFFEFQ-KBPBESRZSA-N 2 0 292.471 2.874 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885980361 646793884 /nfs/dbraw/zinc/79/38/84/646793884.db2.gz ZOKILGVMFARITD-SJORKVTESA-N 2 0 280.456 2.749 20 0 CFADRP Cc1coc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000885992973 646799740 /nfs/dbraw/zinc/79/97/40/646799740.db2.gz VSHWFGWXBHWQJG-GJZGRUSLSA-N 2 0 280.412 2.567 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C/C=C/c2cccc(F)c2)CC[N@@H+]1C ZINC000886000107 646805190 /nfs/dbraw/zinc/80/51/90/646805190.db2.gz VGZJLJKHSSFDJQ-LNRYFFFSSA-N 2 0 262.372 2.911 20 0 CFADRP C([C@H]1CC[C@H](C2CC2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000886021208 646823249 /nfs/dbraw/zinc/82/32/49/646823249.db2.gz RDCQSOJSMZZKFS-CGTJXYLNSA-N 2 0 292.467 2.752 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886030134 646828941 /nfs/dbraw/zinc/82/89/41/646828941.db2.gz GWQCSLSELZTVIN-XIRDDKMYSA-N 2 0 280.456 2.608 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CCOC2CCCCC2)C1 ZINC000886030535 646829303 /nfs/dbraw/zinc/82/93/03/646829303.db2.gz MVRVZQIDWKWMGW-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886032525 646831808 /nfs/dbraw/zinc/83/18/08/646831808.db2.gz IGMOCZQCZUJISK-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886080818 646857338 /nfs/dbraw/zinc/85/73/38/646857338.db2.gz GKIVDWHFJCOCRN-DFBDCSAJSA-N 2 0 292.467 2.606 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000886102707 646873017 /nfs/dbraw/zinc/87/30/17/646873017.db2.gz NSJGHAFVUWOGND-VXLLPVPCSA-N 2 0 280.456 2.941 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000886102705 646873241 /nfs/dbraw/zinc/87/32/41/646873241.db2.gz NSJGHAFVUWOGND-OTBWCIGPSA-N 2 0 280.456 2.941 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000886138207 646889349 /nfs/dbraw/zinc/88/93/49/646889349.db2.gz DMPLMNFBQULQAN-HOCLYGCPSA-N 2 0 268.445 2.798 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886155750 646899996 /nfs/dbraw/zinc/89/99/96/646899996.db2.gz NMRNBHTTZGYPGD-YTXPNQDFSA-N 2 0 262.372 2.769 20 0 CFADRP Clc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)nc1 ZINC000886166645 646904123 /nfs/dbraw/zinc/90/41/23/646904123.db2.gz NDSNNCZOYDBEMO-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC4(CCC4)CO3)C2)C1 ZINC000886217963 646925505 /nfs/dbraw/zinc/92/55/05/646925505.db2.gz LJHSHYWGMGQIGP-AEFFLSMTSA-N 2 0 292.467 2.753 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000886280436 646950112 /nfs/dbraw/zinc/95/01/12/646950112.db2.gz DXNWGARQTPQMHU-OSRSDYAFSA-N 2 0 282.391 2.649 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000886312240 646964114 /nfs/dbraw/zinc/96/41/14/646964114.db2.gz XTFPDEYLPZAVSQ-JKSUJKDBSA-N 2 0 292.398 2.593 20 0 CFADRP CCOCCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487831 647016293 /nfs/dbraw/zinc/01/62/93/647016293.db2.gz WZEJONROAHYUOH-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)C[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886511343 647024310 /nfs/dbraw/zinc/02/43/10/647024310.db2.gz QWFOIJOKRPWGML-CGZBRXJRSA-N 2 0 282.472 2.780 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886516451 647025513 /nfs/dbraw/zinc/02/55/13/647025513.db2.gz ILFKEQZSZZPCAP-GMRIPVOYSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1nccn1CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886518776 647025752 /nfs/dbraw/zinc/02/57/52/647025752.db2.gz GBIHDENXNKPVKO-UHFFFAOYSA-N 2 0 290.455 2.578 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000886516284 647026162 /nfs/dbraw/zinc/02/61/62/647026162.db2.gz ATLIKLOVCOCFGL-PBHICJAKSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886524132 647028322 /nfs/dbraw/zinc/02/83/22/647028322.db2.gz DGGRUCJLAOXDMH-AOCRQIFASA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCOC1 ZINC000886526649 647029958 /nfs/dbraw/zinc/02/99/58/647029958.db2.gz PHOWABUMNFODCI-CGZBRXJRSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](O)C[C@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886531207 647032339 /nfs/dbraw/zinc/03/23/39/647032339.db2.gz YAQJTVXBYWJCCO-JUVOFCAFSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)(CCO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886534288 647034345 /nfs/dbraw/zinc/03/43/45/647034345.db2.gz FKLBAZOMKLFCFT-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP Cn1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000886536466 647035660 /nfs/dbraw/zinc/03/56/60/647035660.db2.gz IDVMZPCGMWQSFL-UHFFFAOYSA-N 2 0 275.440 2.912 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000886539372 647036361 /nfs/dbraw/zinc/03/63/61/647036361.db2.gz YOOIHMFPWJCCSM-OQSMONGASA-N 2 0 294.483 2.924 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000886561813 647048233 /nfs/dbraw/zinc/04/82/33/647048233.db2.gz JUUYLHXSDJWNTP-KLAILNCOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H](O)C[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886588107 647056382 /nfs/dbraw/zinc/05/63/82/647056382.db2.gz LGYOHQMVDVZJMB-WXLSXGNJSA-N 2 0 268.445 2.533 20 0 CFADRP CC(C)[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000886598543 647061640 /nfs/dbraw/zinc/06/16/40/647061640.db2.gz CVJHLICHANLWER-MRXNPFEDSA-N 2 0 292.471 2.829 20 0 CFADRP CO[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886615328 647068742 /nfs/dbraw/zinc/06/87/42/647068742.db2.gz DGBLKKQPAPUSTD-AQFXKWCLSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000886631275 647078296 /nfs/dbraw/zinc/07/82/96/647078296.db2.gz ISZBHXBTGNPNPC-YHNBSYBMSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)[C@H](C)O1 ZINC000886644369 647084698 /nfs/dbraw/zinc/08/46/98/647084698.db2.gz BKPJTBLBYRPNEQ-FYKOZOLNSA-N 2 0 280.456 2.939 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000886643400 647084930 /nfs/dbraw/zinc/08/49/30/647084930.db2.gz TVHJGGPIOVLOTH-SAGYGOJTSA-N 2 0 292.467 2.941 20 0 CFADRP Cc1nc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)[nH]c1C ZINC000886664694 647096881 /nfs/dbraw/zinc/09/68/81/647096881.db2.gz VBLOBEAGMAKKSL-MRXNPFEDSA-N 2 0 290.455 2.690 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC000886693721 647115073 /nfs/dbraw/zinc/11/50/73/647115073.db2.gz GZQZHGZQNXQNTP-RDGWLKQMSA-N 2 0 250.430 2.598 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000886694637 647115383 /nfs/dbraw/zinc/11/53/83/647115383.db2.gz ZZTVVTDQIWVLEG-GHLYRHEWSA-N 2 0 262.441 2.741 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000886839865 647159189 /nfs/dbraw/zinc/15/91/89/647159189.db2.gz NNZGQKNCHHZFOO-IKGGRYGDSA-N 2 0 292.467 2.800 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886870464 647163712 /nfs/dbraw/zinc/16/37/12/647163712.db2.gz YPVVZCDLIQOBSF-KRWDZBQOSA-N 2 0 292.398 2.670 20 0 CFADRP c1csc(CC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886869515 647163867 /nfs/dbraw/zinc/16/38/67/647163867.db2.gz AQNMYLPKSQXNSM-OAHLLOKOSA-N 2 0 264.438 2.756 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886865173 647164406 /nfs/dbraw/zinc/16/44/06/647164406.db2.gz CIWSXMLRBPFOPG-KRWDZBQOSA-N 2 0 274.408 2.531 20 0 CFADRP C[N@H+](CCCCCCC[NH3+])CCc1ccc2c(c1)OCO2 ZINC000886881258 647167823 /nfs/dbraw/zinc/16/78/23/647167823.db2.gz WCHKYBBGXHDQEL-UHFFFAOYSA-N 2 0 292.423 2.799 20 0 CFADRP COC1(CC[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CCC1 ZINC000887134503 647223643 /nfs/dbraw/zinc/22/36/43/647223643.db2.gz KWVTULLSGPVKAT-HNNXBMFYSA-N 2 0 289.423 2.551 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000123896452 647836912 /nfs/dbraw/zinc/83/69/12/647836912.db2.gz VIJQWUNMHQQKAK-CVEARBPZSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000925495252 647854041 /nfs/dbraw/zinc/85/40/41/647854041.db2.gz MNFHXLJSQALYMI-RHSMWYFYSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)N(C)C1CC1 ZINC000925495254 647854141 /nfs/dbraw/zinc/85/41/41/647854141.db2.gz MNFHXLJSQALYMI-WMLDXEAASA-N 2 0 275.440 2.539 20 0 CFADRP CSCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924551403 647993375 /nfs/dbraw/zinc/99/33/75/647993375.db2.gz LCSNXVUTQLNIEJ-LBPRGKRZSA-N 2 0 252.427 2.762 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)CO ZINC000924582660 648000178 /nfs/dbraw/zinc/00/01/78/648000178.db2.gz MSGCTFFRAPJGCZ-HNNXBMFYSA-N 2 0 290.451 2.779 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1cc(O)cc(F)c1 ZINC000924617604 648009406 /nfs/dbraw/zinc/00/94/06/648009406.db2.gz PJVKHBLCRDNGCO-GFCCVEGCSA-N 2 0 268.376 2.912 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc2cccnc21 ZINC000924624529 648011920 /nfs/dbraw/zinc/01/19/20/648011920.db2.gz WORNNDXHHGDPEY-JJTKIYQPSA-N 2 0 295.430 2.707 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924628839 648012231 /nfs/dbraw/zinc/01/22/31/648012231.db2.gz MQTLFCSYNUDADS-AEFFLSMTSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924628843 648012334 /nfs/dbraw/zinc/01/23/34/648012334.db2.gz MQTLFCSYNUDADS-SJLPKXTDSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[C@H](C[NH2+][C@H](C1CC1)C1CCOCC1)N(C)C ZINC000924629980 648012578 /nfs/dbraw/zinc/01/25/78/648012578.db2.gz UXWOHXDIELHGNA-IAGOWNOFSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CC2(C1)CCCC2)N1CC[NH+](C)CC1 ZINC000924632393 648013642 /nfs/dbraw/zinc/01/36/42/648013642.db2.gz QQSFTSTWNOVKKR-KRWDZBQOSA-N 2 0 293.499 2.571 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000924682701 648025911 /nfs/dbraw/zinc/02/59/11/648025911.db2.gz WVSKQJKVNYFWEM-FVQHAEBGSA-N 2 0 282.472 2.759 20 0 CFADRP CCON1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000924685282 648026444 /nfs/dbraw/zinc/02/64/44/648026444.db2.gz HSDKWKAVSRGWCD-INIZCTEOSA-N 2 0 297.487 2.647 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924708737 648031857 /nfs/dbraw/zinc/03/18/57/648031857.db2.gz ZOXUJKLPMNRIMT-ZIAGYGMSSA-N 2 0 276.428 2.601 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(c2ccccc2)CC1 ZINC000924741280 648039526 /nfs/dbraw/zinc/03/95/26/648039526.db2.gz IKYIPZSAXMKMSN-MCPYQZEQSA-N 2 0 299.462 2.585 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000924754007 648041851 /nfs/dbraw/zinc/04/18/51/648041851.db2.gz RRQCEKNGCAOVSE-BRWVUGGUSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924848667 648059070 /nfs/dbraw/zinc/05/90/70/648059070.db2.gz ZGTVWBXPMUHSCG-HUUCEWRRSA-N 2 0 298.434 2.820 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924930679 648073669 /nfs/dbraw/zinc/07/36/69/648073669.db2.gz VOIIPJMULRPIMA-ZSHCYNCHSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924956527 648080132 /nfs/dbraw/zinc/08/01/32/648080132.db2.gz XIICZFNEFFTLAP-LBPRGKRZSA-N 2 0 280.387 2.914 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924965740 648081883 /nfs/dbraw/zinc/08/18/83/648081883.db2.gz PGOJEFUVJFGMIQ-JFIYKMOQSA-N 2 0 293.499 2.737 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924966730 648081960 /nfs/dbraw/zinc/08/19/60/648081960.db2.gz UKBJQVJNRBLEED-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+]CCSCCCO)c1cccc(C[NH+](C)C)c1 ZINC000924977918 648084480 /nfs/dbraw/zinc/08/44/80/648084480.db2.gz DAKZBPOCBKCLOV-AWEZNQCLSA-N 2 0 296.480 2.514 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000925013115 648088939 /nfs/dbraw/zinc/08/89/39/648088939.db2.gz UJESVSVTVPPFTF-SFHVURJKSA-N 2 0 293.499 2.571 20 0 CFADRP CCc1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)[nH]n1 ZINC000925060132 648096791 /nfs/dbraw/zinc/09/67/91/648096791.db2.gz CRKDZRGELLLMQN-ZDUSSCGKSA-N 2 0 286.423 2.885 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccns2)CC1 ZINC000925152795 648118574 /nfs/dbraw/zinc/11/85/74/648118574.db2.gz TZHSSDLNFZKBKF-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C(C)C ZINC000925196421 648129367 /nfs/dbraw/zinc/12/93/67/648129367.db2.gz MBZKHMYUKQQVBY-ZSHCYNCHSA-N 2 0 270.461 2.756 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925233370 648138692 /nfs/dbraw/zinc/13/86/92/648138692.db2.gz UMQRDHUZFRUJPM-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000925276370 648148807 /nfs/dbraw/zinc/14/88/07/648148807.db2.gz OZAMCUALSWRPLJ-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925475397 648178173 /nfs/dbraw/zinc/17/81/73/648178173.db2.gz MNNNLZAVZBLTOE-IRXDYDNUSA-N 2 0 288.435 2.973 20 0 CFADRP C[N@H+](CCN[C@H]1CC[NH2+]C12CCCC2)C1CCCCC1 ZINC000925480924 648180473 /nfs/dbraw/zinc/18/04/73/648180473.db2.gz LUPRSUZFYJJEOO-INIZCTEOSA-N 2 0 279.472 2.515 20 0 CFADRP CN(CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925484238 648181294 /nfs/dbraw/zinc/18/12/94/648181294.db2.gz CYFZKAVRMNYMKG-HOTGVXAUSA-N 2 0 291.414 2.512 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925490690 648182254 /nfs/dbraw/zinc/18/22/54/648182254.db2.gz AQTGKNIGBXBZOD-QZTJIDSGSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@H](O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925499857 648185189 /nfs/dbraw/zinc/18/51/89/648185189.db2.gz BCFGCUVAOMSCHA-APHBMKBZSA-N 2 0 276.424 2.736 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(F)c1 ZINC000925504214 648187763 /nfs/dbraw/zinc/18/77/63/648187763.db2.gz NASWHHKTSNLSMD-HUUCEWRRSA-N 2 0 276.399 2.963 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000925507491 648189938 /nfs/dbraw/zinc/18/99/38/648189938.db2.gz CBIQRAGWVWHIPX-DOTOQJQBSA-N 2 0 289.467 2.929 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925510686 648191936 /nfs/dbraw/zinc/19/19/36/648191936.db2.gz ZWCFQDBIQJZQKW-LEWSCRJBSA-N 2 0 279.428 2.718 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C12CCC2 ZINC000925515423 648193310 /nfs/dbraw/zinc/19/33/10/648193310.db2.gz IFYBSYFQUQWJDT-LJISPDSOSA-N 2 0 280.456 2.830 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C12CCCC2 ZINC000925514744 648193377 /nfs/dbraw/zinc/19/33/77/648193377.db2.gz BSECNPDEGIPQRZ-ZQDZILKHSA-N 2 0 278.440 2.584 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccccc1 ZINC000925517020 648194838 /nfs/dbraw/zinc/19/48/38/648194838.db2.gz WUPOMMCZYDQPGJ-HOTGVXAUSA-N 2 0 290.432 2.851 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C12CCC2 ZINC000925519948 648196671 /nfs/dbraw/zinc/19/66/71/648196671.db2.gz UBHDTYIZMBSONV-KSZLIROESA-N 2 0 299.462 2.683 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925521015 648197522 /nfs/dbraw/zinc/19/75/22/648197522.db2.gz WWOFHSLEZCKJNQ-RWCUPDDMSA-N 2 0 282.431 2.693 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925522798 648198161 /nfs/dbraw/zinc/19/81/61/648198161.db2.gz UXMCGBNCJSLPBP-XKQJLSEDSA-N 2 0 288.435 2.876 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOc1ccccc1 ZINC000925523715 648198190 /nfs/dbraw/zinc/19/81/90/648198190.db2.gz NUOQNDQQHILPAJ-KWOWKCNFSA-N 2 0 274.408 2.561 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc(-n2cccn2)cc1 ZINC000925527738 648201674 /nfs/dbraw/zinc/20/16/74/648201674.db2.gz QEUAYOPUZBFUKD-XKQJLSEDSA-N 2 0 296.418 2.793 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925530140 648202460 /nfs/dbraw/zinc/20/24/60/648202460.db2.gz JYILFGKPNJUSNO-BFHYXJOUSA-N 2 0 268.470 2.925 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCC2 ZINC000925529625 648202647 /nfs/dbraw/zinc/20/26/47/648202647.db2.gz ZYKSRIAWNDJEKB-ROUUACIJSA-N 3 0 299.462 2.642 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCN1CCCCC1)c1ccccc1 ZINC000925533261 648204294 /nfs/dbraw/zinc/20/42/94/648204294.db2.gz KSYQWLZQIVLHMD-QGZVFWFLSA-N 2 0 275.440 2.542 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925537116 648205479 /nfs/dbraw/zinc/20/54/79/648205479.db2.gz JETVBALKVJPHKK-ARFHVFGLSA-N 2 0 273.424 2.681 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)CC(C)C ZINC000925535625 648205558 /nfs/dbraw/zinc/20/55/58/648205558.db2.gz HVLXATVMIWCWIL-ARFHVFGLSA-N 2 0 281.488 2.602 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543140 648209455 /nfs/dbraw/zinc/20/94/55/648209455.db2.gz QYHWZGCOASHMSV-KSZLIROESA-N 3 0 289.467 2.929 20 0 CFADRP COC1CCC(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925543480 648209574 /nfs/dbraw/zinc/20/95/74/648209574.db2.gz UGWPQNCFBLTCIQ-SYNTWQANSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](CN[C@H]1CC[NH2+]C12CCCC2)[N@@H+]1CCCC[C@H]1C ZINC000925545690 648210514 /nfs/dbraw/zinc/21/05/14/648210514.db2.gz JPWVFUKLAFZJQV-OAGGEKHMSA-N 2 0 279.472 2.514 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925547637 648211000 /nfs/dbraw/zinc/21/10/00/648211000.db2.gz CIJFBNGYAJRBRE-XOYOTBSWSA-N 2 0 299.462 2.632 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000925547108 648211608 /nfs/dbraw/zinc/21/16/08/648211608.db2.gz RFSOHYGFORLNJM-LVQVYYBASA-N 2 0 281.488 2.745 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c[nH]c2c1 ZINC000925549249 648212311 /nfs/dbraw/zinc/21/23/11/648212311.db2.gz WGZXNJLAZMQZPP-LVGQOLGVSA-N 2 0 295.430 2.605 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCCS1 ZINC000925551524 648212480 /nfs/dbraw/zinc/21/24/80/648212480.db2.gz GQPJUENLYLUMMV-OLZOCXBDSA-N 2 0 254.443 2.536 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925559592 648216701 /nfs/dbraw/zinc/21/67/01/648216701.db2.gz WSHNIDMOYZXPGW-DLBZAZTESA-N 2 0 294.483 2.951 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925562321 648217945 /nfs/dbraw/zinc/21/79/45/648217945.db2.gz HCVLQKNPXRNPTD-XHSDSOJGSA-N 2 0 288.435 2.930 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925565375 648219441 /nfs/dbraw/zinc/21/94/41/648219441.db2.gz QFOBTRFQNREBOX-HOTGVXAUSA-N 2 0 270.420 2.886 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000925565649 648219867 /nfs/dbraw/zinc/21/98/67/648219867.db2.gz VPMBLHVSENFQLR-VXGBXAGGSA-N 2 0 268.351 2.960 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C12CCC2 ZINC000925566183 648220003 /nfs/dbraw/zinc/22/00/03/648220003.db2.gz FREDWMWVKZUTMQ-LSDHHAIUSA-N 2 0 262.372 2.618 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925565377 648220072 /nfs/dbraw/zinc/22/00/72/648220072.db2.gz QFOBTRFQNREBOX-JKSUJKDBSA-N 2 0 270.420 2.886 20 0 CFADRP CN(C)c1ccccc1CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925568756 648221608 /nfs/dbraw/zinc/22/16/08/648221608.db2.gz LXVZMOVOQFVQSX-HYVNUMGLSA-N 2 0 287.451 2.619 20 0 CFADRP OCC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCCCC1 ZINC000925581412 648226413 /nfs/dbraw/zinc/22/64/13/648226413.db2.gz ZDXWZBOAEHOIKY-DLBZAZTESA-N 2 0 294.483 2.687 20 0 CFADRP CSC1CC([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000925587951 648229060 /nfs/dbraw/zinc/22/90/60/648229060.db2.gz LNBLGLOFWQMUFY-NFOMZHRRSA-N 2 0 270.486 2.838 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)C[C@@H]([NH3+])C1 ZINC000925589203 648229667 /nfs/dbraw/zinc/22/96/67/648229667.db2.gz WMJOPUPXHABHBA-OLZOCXBDSA-N 2 0 297.830 2.609 20 0 CFADRP C1CCC([C@@H]2C[NH2+]CC[C@H]2[NH2+]C2CCSCC2)C1 ZINC000925589638 648230408 /nfs/dbraw/zinc/23/04/08/648230408.db2.gz AITZQZKNRJFEQN-LSDHHAIUSA-N 2 0 268.470 2.640 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C12CCC2 ZINC000925594716 648231623 /nfs/dbraw/zinc/23/16/23/648231623.db2.gz QMRJQTLVWDZVHA-ZNMIVQPWSA-N 2 0 260.356 2.673 20 0 CFADRP c1ccc(CC2([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CCC2)cc1 ZINC000925596809 648232649 /nfs/dbraw/zinc/23/26/49/648232649.db2.gz TWMBOMPACYJYAS-IGKNDFSCSA-N 2 0 282.431 2.738 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000925601716 648235436 /nfs/dbraw/zinc/23/54/36/648235436.db2.gz NCGHJDKKCOLWRW-ZIAGYGMSSA-N 2 0 268.445 2.831 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOC2CCCCC2)C1 ZINC000925601715 648235571 /nfs/dbraw/zinc/23/55/71/648235571.db2.gz NCGHJDKKCOLWRW-UONOGXRCSA-N 2 0 268.445 2.831 20 0 CFADRP c1ccc([C@H]2C[C@H](N[C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925605042 648236388 /nfs/dbraw/zinc/23/63/88/648236388.db2.gz OCTUITDOWPHQTQ-BZUAXINKSA-N 2 0 256.393 2.807 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCN[C@H]3C)CC2)CC1 ZINC000925607448 648237583 /nfs/dbraw/zinc/23/75/83/648237583.db2.gz QDRHFYGMYBAMDA-BFWZDYSYSA-N 2 0 293.499 2.760 20 0 CFADRP c1ccc(CC2(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925616572 648241089 /nfs/dbraw/zinc/24/10/89/648241089.db2.gz NGPCBLHTIUORER-TXTZMMAHSA-N 2 0 282.431 2.595 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925619233 648242301 /nfs/dbraw/zinc/24/23/01/648242301.db2.gz YMTDDESBDVIANG-IRXDYDNUSA-N 2 0 288.435 2.877 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(CCO)CCCCC2)C1 ZINC000925622775 648245184 /nfs/dbraw/zinc/24/51/84/648245184.db2.gz MXTAZIGCYCJDJR-GJZGRUSLSA-N 2 0 282.472 2.815 20 0 CFADRP OCCC1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCCCC1 ZINC000925622661 648245226 /nfs/dbraw/zinc/24/52/26/648245226.db2.gz MGVCZMZOLPIHSM-HNNXBMFYSA-N 2 0 280.456 2.584 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000925623791 648245293 /nfs/dbraw/zinc/24/52/93/648245293.db2.gz STJFXAGALPOJQH-ARFHVFGLSA-N 2 0 276.424 2.606 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925624300 648245485 /nfs/dbraw/zinc/24/54/85/648245485.db2.gz ZIAQHFLRKGCSPO-QZTJIDSGSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925626295 648246728 /nfs/dbraw/zinc/24/67/28/648246728.db2.gz PNRSLUYYAWLDHC-CXAGYDPISA-N 2 0 276.424 2.560 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000925630901 648249726 /nfs/dbraw/zinc/24/97/26/648249726.db2.gz SIMXGASPDGNLDN-ROKBNZNASA-N 2 0 284.447 2.897 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000925630605 648250394 /nfs/dbraw/zinc/25/03/94/648250394.db2.gz PVSGEOJLBLMYCG-CZUORRHYSA-N 2 0 258.409 2.522 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C12CCC2 ZINC000925638558 648255618 /nfs/dbraw/zinc/25/56/18/648255618.db2.gz DPCSXUCSCJOFEY-QWHCGFSZSA-N 2 0 266.335 2.984 20 0 CFADRP Cn1nc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc21 ZINC000925638325 648256099 /nfs/dbraw/zinc/25/60/99/648256099.db2.gz ATNCOAJXDTUSCP-QWHCGFSZSA-N 2 0 286.423 2.569 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2Cc3ccccc3C2)C[C@@H]([NH3+])C1 ZINC000925640652 648257322 /nfs/dbraw/zinc/25/73/22/648257322.db2.gz TYSXPQWLZUPEAH-ZBFHGGJFSA-N 2 0 258.409 2.649 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)C12CCC2 ZINC000925652047 648262843 /nfs/dbraw/zinc/26/28/43/648262843.db2.gz BHLBLULMCYVSBP-DTZQCDIJSA-N 2 0 274.383 2.931 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3[nH]ccc3c2)C12CCC2 ZINC000925663446 648268838 /nfs/dbraw/zinc/26/88/38/648268838.db2.gz SLINVXYJONFZJY-JKSUJKDBSA-N 2 0 269.392 2.570 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(F)(F)F ZINC000925663881 648269403 /nfs/dbraw/zinc/26/94/03/648269403.db2.gz AXQIOORFHGYCQS-OUAUKWLOSA-N 2 0 278.362 2.941 20 0 CFADRP c1ccc(C2CC(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)cc1 ZINC000925665849 648269595 /nfs/dbraw/zinc/26/95/95/648269595.db2.gz MXIOJTUGJOAUON-LDAGBMCGSA-N 2 0 282.431 2.766 20 0 CFADRP CCN(CC)[C@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925663607 648269618 /nfs/dbraw/zinc/26/96/18/648269618.db2.gz VBKPQGOOLRKTOQ-NVXWUHKLSA-N 2 0 277.456 2.787 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C12CCC2 ZINC000925663449 648269781 /nfs/dbraw/zinc/26/97/81/648269781.db2.gz SNZANAUCKUEDNU-IJLUTSLNSA-N 2 0 258.356 2.671 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C[C@@H]([NH3+])C1 ZINC000925666155 648269812 /nfs/dbraw/zinc/26/98/12/648269812.db2.gz QUHGGZWRKQPXHB-NEPJUHHUSA-N 2 0 299.365 2.679 20 0 CFADRP C[C@@H]1COCC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925669332 648272288 /nfs/dbraw/zinc/27/22/88/648272288.db2.gz AQCAERPCKRKOCO-HYVNUMGLSA-N 2 0 276.424 2.729 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925672479 648273645 /nfs/dbraw/zinc/27/36/45/648273645.db2.gz JEUFTNSDHZJINU-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)C12CCC2 ZINC000925676712 648275177 /nfs/dbraw/zinc/27/51/77/648275177.db2.gz KUJGSZKRRDQDIS-AAEUAGOBSA-N 2 0 299.340 2.502 20 0 CFADRP COCC1(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCC1 ZINC000925678711 648276684 /nfs/dbraw/zinc/27/66/84/648276684.db2.gz WVSUIWKGYPYERP-QLFBSQMISA-N 2 0 280.456 2.559 20 0 CFADRP Cc1cccnc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925683530 648278500 /nfs/dbraw/zinc/27/85/00/648278500.db2.gz RRAXZWWTLGMYOG-AEFFLSMTSA-N 2 0 287.451 2.690 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925684745 648278993 /nfs/dbraw/zinc/27/89/93/648278993.db2.gz CYKKCMAQHJCOKD-AEFFLSMTSA-N 3 0 289.467 2.788 20 0 CFADRP COCC1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925693548 648282860 /nfs/dbraw/zinc/28/28/60/648282860.db2.gz SJKJWWQXRAWPBO-JYVUQVBGSA-N 2 0 268.445 2.687 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)CC(F)(F)F ZINC000925694207 648283462 /nfs/dbraw/zinc/28/34/62/648283462.db2.gz FJPVJXTYFHQYEF-VHSXEESVSA-N 2 0 252.324 2.695 20 0 CFADRP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)CC(F)(F)F ZINC000925694838 648283585 /nfs/dbraw/zinc/28/35/85/648283585.db2.gz GDHHDCBARUFVNL-MNOVXSKESA-N 2 0 264.335 2.839 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[C@H](C)O1 ZINC000925695561 648283727 /nfs/dbraw/zinc/28/37/27/648283727.db2.gz IBRIXFIWDIHHHC-IMPMIVQMSA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925694745 648284368 /nfs/dbraw/zinc/28/43/68/648284368.db2.gz PRTQDILWPAAVNJ-YVSFHVDLSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1cnc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925702061 648286499 /nfs/dbraw/zinc/28/64/99/648286499.db2.gz KEEIBLBACCMWQJ-CABCVRRESA-N 2 0 275.440 2.737 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)C[C@@H]([NH3+])C1 ZINC000925704746 648287187 /nfs/dbraw/zinc/28/71/87/648287187.db2.gz DVRPUZAMDBTCAL-YCPHGPKFSA-N 2 0 273.424 2.752 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC[N@@H+](C3CCCCC3)C1)[NH2+]2 ZINC000925705807 648288634 /nfs/dbraw/zinc/28/86/34/648288634.db2.gz IHIUMWSNYFLELH-WBOSRHFRSA-N 2 0 291.483 2.512 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925706495 648288648 /nfs/dbraw/zinc/28/86/48/648288648.db2.gz KDZZDHIUZUWHNN-GFCCVEGCSA-N 2 0 254.443 2.536 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)C[C@@H]([NH3+])C1 ZINC000925706079 648288679 /nfs/dbraw/zinc/28/86/79/648288679.db2.gz FDNCFQJXTDPJQC-GUYJKWIASA-N 2 0 274.408 2.660 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H]([NH3+])C1 ZINC000925711624 648291889 /nfs/dbraw/zinc/29/18/89/648291889.db2.gz UDPPOLHBZXSQSJ-SEBNEYGDSA-N 2 0 250.430 2.918 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C12CCC2 ZINC000925713885 648292995 /nfs/dbraw/zinc/29/29/95/648292995.db2.gz VWYUXGVMLDUROS-KLHDSHLOSA-N 2 0 256.393 2.650 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)C12CCC2 ZINC000925713933 648293193 /nfs/dbraw/zinc/29/31/93/648293193.db2.gz YQTRAOXYLLSATE-KSZLIROESA-N 2 0 296.414 2.733 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1 ZINC000925716616 648294599 /nfs/dbraw/zinc/29/45/99/648294599.db2.gz FGLNECSBYRZDRX-YESZJQIVSA-N 2 0 274.408 2.624 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCC1SCCS1 ZINC000925715790 648295052 /nfs/dbraw/zinc/29/50/52/648295052.db2.gz MCDRQCOINLHBLR-KCXRBIIJSA-N 2 0 286.510 2.678 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1CCCC1 ZINC000925716890 648296130 /nfs/dbraw/zinc/29/61/30/648296130.db2.gz RSKZXMCCAAYFAW-KZNAEPCWSA-N 2 0 294.483 2.950 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925721645 648297068 /nfs/dbraw/zinc/29/70/68/648297068.db2.gz PPRZFKUZURXBFD-MJBXVCDLSA-N 2 0 272.383 2.790 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925720316 648297085 /nfs/dbraw/zinc/29/70/85/648297085.db2.gz GGSJUBQODJLHST-VJQRDGCPSA-N 2 0 262.441 2.789 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000925721552 648297142 /nfs/dbraw/zinc/29/71/42/648297142.db2.gz DYFITAJTZRCTOF-HOTGVXAUSA-N 2 0 288.435 2.755 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000925726819 648300143 /nfs/dbraw/zinc/30/01/43/648300143.db2.gz WLDNFKGBNDNEGL-SNRMKQJTSA-N 2 0 297.446 2.625 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC(F)(F)C1 ZINC000925733045 648302379 /nfs/dbraw/zinc/30/23/79/648302379.db2.gz FMKFQPOBIQQYHJ-GHMZBOCLSA-N 2 0 260.372 2.917 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)C[C@@H]([NH3+])C1 ZINC000925735092 648303099 /nfs/dbraw/zinc/30/30/99/648303099.db2.gz SNEZLDVFEMSEPD-KFWWJZLASA-N 2 0 280.456 2.689 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cnn(-c2ccccc2)c1 ZINC000925739973 648305774 /nfs/dbraw/zinc/30/57/74/648305774.db2.gz CWYMLOYAVSUBQJ-CYBMUJFWSA-N 2 0 272.396 2.650 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000925757464 648309996 /nfs/dbraw/zinc/30/99/96/648309996.db2.gz HFNJQIYZOPQWAF-AWEZNQCLSA-N 2 0 299.422 2.532 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H]2CCCc3c(O)cccc32)CC1 ZINC000925761281 648310978 /nfs/dbraw/zinc/31/09/78/648310978.db2.gz YKHYNLLYAWNVSU-HNNXBMFYSA-N 2 0 274.408 2.973 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000925764308 648311002 /nfs/dbraw/zinc/31/10/02/648311002.db2.gz YBONCQUSOOSMAP-UWVGGRQHSA-N 2 0 289.242 2.523 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)C2CCSCC2)CC1 ZINC000925761244 648311040 /nfs/dbraw/zinc/31/10/40/648311040.db2.gz XSLNQHYNOXXEAA-GFCCVEGCSA-N 2 0 256.459 2.721 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H]2CCCc3c(O)cccc32)CC1 ZINC000925761282 648311378 /nfs/dbraw/zinc/31/13/78/648311378.db2.gz YKHYNLLYAWNVSU-OAHLLOKOSA-N 2 0 274.408 2.973 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925766401 648312521 /nfs/dbraw/zinc/31/25/21/648312521.db2.gz JRVQJNFFLPGEAH-XIRDDKMYSA-N 2 0 260.425 2.841 20 0 CFADRP C[C@H]([NH2+][C@@H](Cn1ccnc1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000925771630 648314581 /nfs/dbraw/zinc/31/45/81/648314581.db2.gz NHCCNZUUDLDJEL-JQHSSLGASA-N 2 0 298.434 2.602 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000925775444 648316893 /nfs/dbraw/zinc/31/68/93/648316893.db2.gz GUEWHTVANIYUKS-NEPJUHHUSA-N 2 0 258.356 2.544 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000925774013 648317184 /nfs/dbraw/zinc/31/71/84/648317184.db2.gz JLXINVXAEHPEIX-DOMZBBRYSA-N 2 0 291.439 2.705 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC000925778946 648319851 /nfs/dbraw/zinc/31/98/51/648319851.db2.gz VIYWHWWOMBWTJE-OAHLLOKOSA-N 2 0 294.389 2.768 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000925794267 648325329 /nfs/dbraw/zinc/32/53/29/648325329.db2.gz COUKHBCHTUCKSN-UEKVPHQBSA-N 2 0 280.362 2.787 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(F)c1 ZINC000925796767 648326629 /nfs/dbraw/zinc/32/66/29/648326629.db2.gz DPDVVMZPSVQLCL-FRRDWIJNSA-N 2 0 280.387 2.731 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000925799617 648327262 /nfs/dbraw/zinc/32/72/62/648327262.db2.gz VUYBLQVRZMZFGV-OLMNPRSZSA-N 2 0 272.436 2.843 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1F ZINC000925801738 648327347 /nfs/dbraw/zinc/32/73/47/648327347.db2.gz WYIOLMNHHBRACY-GRYCIOLGSA-N 2 0 268.351 2.861 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799038 648327515 /nfs/dbraw/zinc/32/75/15/648327515.db2.gz SPBXGJIGIVRVOW-SMKXDYDZSA-N 2 0 258.409 2.755 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2(c3ccccc3)CC2)C12CCC2 ZINC000925805261 648328751 /nfs/dbraw/zinc/32/87/51/648328751.db2.gz RNXDXEDLONYSJL-HZPDHXFCSA-N 2 0 270.420 2.968 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCC2(c3ccccc3)CC2)C1 ZINC000925804602 648329360 /nfs/dbraw/zinc/32/93/60/648329360.db2.gz KGOXTXNTRSKDBQ-CVEARBPZSA-N 2 0 258.409 2.968 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000925806760 648330121 /nfs/dbraw/zinc/33/01/21/648330121.db2.gz AJSKQCBGQVFOJH-HNNXBMFYSA-N 2 0 297.446 2.914 20 0 CFADRP C[C@@H](NCCc1ccc2ncccc2c1)[C@H]1CCCC[NH2+]1 ZINC000925812137 648331229 /nfs/dbraw/zinc/33/12/29/648331229.db2.gz HOAGGQDFVJNOEL-RHSMWYFYSA-N 2 0 283.419 2.898 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000925818930 648332748 /nfs/dbraw/zinc/33/27/48/648332748.db2.gz WIZOQGKQUGIMEH-AEFFLSMTSA-N 3 0 295.515 2.866 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]1 ZINC000925815490 648332992 /nfs/dbraw/zinc/33/29/92/648332992.db2.gz XKAVZHDNJMMPPY-WMZOPIPTSA-N 2 0 283.419 2.898 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925820540 648333487 /nfs/dbraw/zinc/33/34/87/648333487.db2.gz DGBKYOGSOFNFSU-ZJZYOEKZSA-N 2 0 262.441 2.931 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000925826031 648335107 /nfs/dbraw/zinc/33/51/07/648335107.db2.gz KWQPXIVTJGXTNM-OSAQELSMSA-N 2 0 266.360 2.565 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@]12CCC[C@H]1OCC2 ZINC000925830102 648336290 /nfs/dbraw/zinc/33/62/90/648336290.db2.gz FMFLGLMGSSQWHB-YYWYGQEZSA-N 2 0 292.467 2.846 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000925838040 648339328 /nfs/dbraw/zinc/33/93/28/648339328.db2.gz JPKVBJMWRDUHOQ-HRCADAONSA-N 2 0 299.418 2.656 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000925838036 648339531 /nfs/dbraw/zinc/33/95/31/648339531.db2.gz JPKVBJMWRDUHOQ-ARFHVFGLSA-N 2 0 299.418 2.656 20 0 CFADRP FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838911 648340482 /nfs/dbraw/zinc/34/04/82/648340482.db2.gz FKOJYVJAOBCGKD-BYNSBNAKSA-N 2 0 254.393 2.637 20 0 CFADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839574 648340571 /nfs/dbraw/zinc/34/05/71/648340571.db2.gz HSPIMYRTRJSBKF-DSJMHWKBSA-N 2 0 250.430 2.933 20 0 CFADRP CC1(C)CCC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925845238 648343534 /nfs/dbraw/zinc/34/35/34/648343534.db2.gz OOPLBSMCMSFLQR-MRXNPFEDSA-N 2 0 281.488 2.620 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCS2 ZINC000925856338 648345706 /nfs/dbraw/zinc/34/57/06/648345706.db2.gz FIAKOBAFWNZPSF-QWHCGFSZSA-N 2 0 266.454 2.679 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCSC3(CCC3)C1)[NH2+]2 ZINC000925855265 648346083 /nfs/dbraw/zinc/34/60/83/648346083.db2.gz CGMRUHFLOOKXRC-XLWJZTARSA-N 2 0 280.481 2.923 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCS2 ZINC000925862085 648347973 /nfs/dbraw/zinc/34/79/73/648347973.db2.gz XUGJKQOZMGZFMS-WJLOJVBCSA-N 2 0 266.454 2.677 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000925862089 648348322 /nfs/dbraw/zinc/34/83/22/648348322.db2.gz XVQDNQFUDALYND-BFHYXJOUSA-N 2 0 268.470 2.912 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000925871743 648350585 /nfs/dbraw/zinc/35/05/85/648350585.db2.gz GILITYYEBVVJGF-RBSFLKMASA-N 2 0 259.397 2.566 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000925872124 648351010 /nfs/dbraw/zinc/35/10/10/648351010.db2.gz PWOAWOBZGWPFOB-KKUMJFAQSA-N 2 0 273.424 2.955 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000925877182 648353130 /nfs/dbraw/zinc/35/31/30/648353130.db2.gz NQRJCDHTQWSATQ-UGFHNGPFSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nc2c(s1)CCCC2 ZINC000925882076 648354386 /nfs/dbraw/zinc/35/43/86/648354386.db2.gz JGQIISJEFCXGLC-UTUOFQBUSA-N 2 0 279.453 2.800 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925883757 648355471 /nfs/dbraw/zinc/35/54/71/648355471.db2.gz XEZSFAWILDTDFR-LNSITVRQSA-N 2 0 266.816 2.988 20 0 CFADRP CCn1cc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cn1 ZINC000925887440 648356146 /nfs/dbraw/zinc/35/61/46/648356146.db2.gz CYMMXXNSFJCZQL-JCGIZDLHSA-N 2 0 298.434 2.613 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1CC1 ZINC000925887739 648356200 /nfs/dbraw/zinc/35/62/00/648356200.db2.gz LLKVDOOUUZEXFR-YESZJQIVSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cn1 ZINC000925886599 648356312 /nfs/dbraw/zinc/35/63/12/648356312.db2.gz ITMDEVIPCNCSQL-QANKJYHBSA-N 2 0 299.393 2.930 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888991 648356971 /nfs/dbraw/zinc/35/69/71/648356971.db2.gz YGOYNFCJLCPFDT-SIXLDLHFSA-N 2 0 258.409 2.824 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2([C@H]3CCCCO3)CC2)C[C@@H]([NH3+])C1 ZINC000925893486 648358072 /nfs/dbraw/zinc/35/80/72/648358072.db2.gz OOSSHNBIIHISRZ-HZSPNIEDSA-N 2 0 266.429 2.584 20 0 CFADRP Cc1noc(C)c1[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926115124 648408366 /nfs/dbraw/zinc/40/83/66/648408366.db2.gz SCKYGWATHLUKPE-LLVKDONJSA-N 2 0 265.401 2.674 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CCCC1 ZINC000926166156 648421786 /nfs/dbraw/zinc/42/17/86/648421786.db2.gz HPHAZCUQTQEWOF-IRXDYDNUSA-N 2 0 294.483 2.903 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926203317 648432840 /nfs/dbraw/zinc/43/28/40/648432840.db2.gz WQGGNPCGLKDWIO-SCYVGKGRSA-N 2 0 276.424 2.726 20 0 CFADRP CC(C)(C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000926274242 648452271 /nfs/dbraw/zinc/45/22/71/648452271.db2.gz GIZDRDPNRYAPSA-QGZVFWFLSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C[NH2+][C@@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000926274241 648453635 /nfs/dbraw/zinc/45/36/35/648453635.db2.gz GIZDRDPNRYAPSA-KRWDZBQOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926287272 648455134 /nfs/dbraw/zinc/45/51/34/648455134.db2.gz MFIAQUFOLDGOHM-ZQIUZPCESA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CCCO1 ZINC000926288166 648456224 /nfs/dbraw/zinc/45/62/24/648456224.db2.gz RBJULUPHKYEGES-HNSVSWJLSA-N 2 0 298.496 2.504 20 0 CFADRP COCC(C)(C)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926470673 648500240 /nfs/dbraw/zinc/50/02/40/648500240.db2.gz VSQCYKYNKNOAEJ-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000926538076 648524319 /nfs/dbraw/zinc/52/43/19/648524319.db2.gz BNMDRYUVENHKGC-RHSMWYFYSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C1CC1 ZINC000926560629 648534103 /nfs/dbraw/zinc/53/41/03/648534103.db2.gz UCXZQDLLKGNEDU-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc2c1OCO2 ZINC000926561404 648534851 /nfs/dbraw/zinc/53/48/51/648534851.db2.gz XWPRWJUIZRAAPG-CYBMUJFWSA-N 2 0 290.407 2.940 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)ccc12 ZINC000926568222 648536513 /nfs/dbraw/zinc/53/65/13/648536513.db2.gz RKLJRBYWICIPDJ-DOTOQJQBSA-N 2 0 285.391 2.629 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccnn1C1CCC1 ZINC000926573339 648539011 /nfs/dbraw/zinc/53/90/11/648539011.db2.gz LMTSBBDOEDSMJY-GJZGRUSLSA-N 2 0 290.455 2.991 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000926573673 648539027 /nfs/dbraw/zinc/53/90/27/648539027.db2.gz PEHVIIGMXQNSEW-UQPPLGOBSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000926643901 648559416 /nfs/dbraw/zinc/55/94/16/648559416.db2.gz CWUQZYJTMNSOCR-HNNXBMFYSA-N 2 0 263.429 2.580 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926666098 648567863 /nfs/dbraw/zinc/56/78/63/648567863.db2.gz PSJGWLIUXSIBCQ-WDMOLILDSA-N 2 0 279.815 2.652 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926710079 648585929 /nfs/dbraw/zinc/58/59/29/648585929.db2.gz ASQOPHNYMDYQFT-PBHICJAKSA-N 2 0 290.451 2.807 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000926755104 648603205 /nfs/dbraw/zinc/60/32/05/648603205.db2.gz ULNWYGWYBUVPGZ-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000926761718 648605995 /nfs/dbraw/zinc/60/59/95/648605995.db2.gz FEIXKTOTDKZYJO-WMLDXEAASA-N 2 0 273.424 2.619 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000926763502 648606061 /nfs/dbraw/zinc/60/60/61/648606061.db2.gz PNWLFWOPQIULSH-JKQORVJESA-N 2 0 282.472 2.898 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000926782696 648613448 /nfs/dbraw/zinc/61/34/48/648613448.db2.gz HISXERZFMIYOEF-IJEWVQPXSA-N 2 0 268.445 2.652 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926796491 648619772 /nfs/dbraw/zinc/61/97/72/648619772.db2.gz KLTUPZDDBZSEHF-UMQBVGHOSA-N 2 0 293.499 2.856 20 0 CFADRP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccnn1C ZINC000926813848 648625983 /nfs/dbraw/zinc/62/59/83/648625983.db2.gz VDUIMDRPWUBRBY-ZIAGYGMSSA-N 2 0 286.423 2.894 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000926886118 648645763 /nfs/dbraw/zinc/64/57/63/648645763.db2.gz FGOUYJVIDPZLBX-XWIAVFTESA-N 2 0 288.435 2.966 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926913494 648654531 /nfs/dbraw/zinc/65/45/31/648654531.db2.gz SJBFIPRFXFLGDB-LPWJVIDDSA-N 2 0 294.361 2.559 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000926947986 648667960 /nfs/dbraw/zinc/66/79/60/648667960.db2.gz GVCKDTDVYIALPV-YFKTTZPYSA-N 2 0 264.335 2.505 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)[C@H]2CCC[C@@H]21 ZINC000927009006 648680928 /nfs/dbraw/zinc/68/09/28/648680928.db2.gz BCSNKOUYJQHKQT-YVSFHVDLSA-N 2 0 292.467 2.941 20 0 CFADRP CCC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000927018419 648685385 /nfs/dbraw/zinc/68/53/85/648685385.db2.gz OIIFQDJJQPSMSA-WMLDXEAASA-N 2 0 278.440 2.950 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000927035492 648688488 /nfs/dbraw/zinc/68/84/88/648688488.db2.gz AKRFDINUAAEMBN-CKDBGZEDSA-N 2 0 288.439 2.784 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)c2nccn21 ZINC000927035508 648688753 /nfs/dbraw/zinc/68/87/53/648688753.db2.gz AWVZAHAOJVXUNF-GJEMEMOUSA-N 2 0 288.439 2.886 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927040616 648690376 /nfs/dbraw/zinc/69/03/76/648690376.db2.gz ZHTAKUWKTGJJNP-VQCLRJIVSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC1 ZINC000927056307 648692141 /nfs/dbraw/zinc/69/21/41/648692141.db2.gz CBNCLOWEVXDNRK-QKDCVEJESA-N 2 0 296.455 2.521 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)[C@@H]2CCC[C@@H]21 ZINC000927062113 648694231 /nfs/dbraw/zinc/69/42/31/648694231.db2.gz WJDXGDJZMLMSEA-NXOAAHMSSA-N 2 0 285.435 2.921 20 0 CFADRP CC[NH+]1CCC([NH2+]CC[C@H]2OCCc3ccccc32)CC1 ZINC000927119570 648719247 /nfs/dbraw/zinc/71/92/47/648719247.db2.gz LJDPVJHKWLDCJI-GOSISDBHSA-N 2 0 288.435 2.764 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)[C@@H]2CCC[C@H]21 ZINC000927131597 648723102 /nfs/dbraw/zinc/72/31/02/648723102.db2.gz XPGUMWWRXZFRRY-LUKYLMHMSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CC2)CC1 ZINC000927160463 648731686 /nfs/dbraw/zinc/73/16/86/648731686.db2.gz LGOUYKJJDXNUPR-OAHLLOKOSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000929264396 649017904 /nfs/dbraw/zinc/01/79/04/649017904.db2.gz RQPNKWPHGARDMN-UHFFFAOYSA-N 2 0 250.430 2.983 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2nn(C)cc2C)CC1 ZINC000929295865 649026564 /nfs/dbraw/zinc/02/65/64/649026564.db2.gz JEOYQQSRYLYKRG-UHFFFAOYSA-N 2 0 292.471 2.672 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C(C)C ZINC000929762633 649115359 /nfs/dbraw/zinc/11/53/59/649115359.db2.gz IAORYDHLMBCVTJ-IRXDYDNUSA-N 2 0 282.472 2.569 20 0 CFADRP CC(F)(F)CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000929834797 649135028 /nfs/dbraw/zinc/13/50/28/649135028.db2.gz LALXATXRKFFNRJ-UHFFFAOYSA-N 2 0 269.339 2.639 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C[C@H](C)O1 ZINC000929849099 649138856 /nfs/dbraw/zinc/13/88/56/649138856.db2.gz WDSLXRROJLAZCC-HMDCTGQHSA-N 2 0 280.456 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](COC)C(C)C)[C@@H](C)C1 ZINC000929998757 649162718 /nfs/dbraw/zinc/16/27/18/649162718.db2.gz GSBOUMOYQOFEJY-XHSDSOJGSA-N 2 0 270.461 2.567 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930310497 649227613 /nfs/dbraw/zinc/22/76/13/649227613.db2.gz GYTAWBJMCQNTCF-BTTYYORXSA-N 2 0 272.383 2.695 20 0 CFADRP c1cncc(CCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000930805097 649327614 /nfs/dbraw/zinc/32/76/14/649327614.db2.gz PLWDRFXGNXLBFX-UHFFFAOYSA-N 2 0 296.418 2.622 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CC1CCC3(CC3)CC1)CCO2 ZINC000930823853 649331761 /nfs/dbraw/zinc/33/17/61/649331761.db2.gz WPXQKNMTEHUJRX-UHFFFAOYSA-N 2 0 292.467 2.753 20 0 CFADRP C[C@H](c1cc(F)ccc1F)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434431 649426174 /nfs/dbraw/zinc/42/61/74/649426174.db2.gz UTBYYOWUERBRDW-FRRDWIJNSA-N 2 0 280.362 2.909 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4ccccc4o3)C[C@@H]2C1 ZINC000931433500 649426283 /nfs/dbraw/zinc/42/62/83/649426283.db2.gz BETVEJYFOAVPQX-CABCVRRESA-N 2 0 270.376 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)C[C@@H]2C1 ZINC000931437950 649427691 /nfs/dbraw/zinc/42/76/91/649427691.db2.gz DXSBHNBBIKHLKR-MSOLQXFVSA-N 2 0 270.420 2.559 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3cccc(F)c3)C[C@@H]2C1 ZINC000931439040 649428161 /nfs/dbraw/zinc/42/81/61/649428161.db2.gz MQDUPMICQBUALG-CVEARBPZSA-N 2 0 276.399 2.642 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c(C)c1 ZINC000931484595 649439426 /nfs/dbraw/zinc/43/94/26/649439426.db2.gz RESAAHADYCWYEX-UHFFFAOYSA-N 2 0 290.451 2.500 20 0 CFADRP Nc1ccnc2c1C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000931518388 649446823 /nfs/dbraw/zinc/44/68/23/649446823.db2.gz PRENCZLIZKKLNB-CYBMUJFWSA-N 2 0 257.381 2.911 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1ccns1 ZINC000931704632 649475805 /nfs/dbraw/zinc/47/58/05/649475805.db2.gz XUJWEJZKMRDALK-UHFFFAOYSA-N 2 0 281.469 2.884 20 0 CFADRP CN(CCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2)c1ccccc1 ZINC000931718641 649478333 /nfs/dbraw/zinc/47/83/33/649478333.db2.gz AWOBWWXGUNCTFR-MSOLQXFVSA-N 2 0 287.451 2.681 20 0 CFADRP CC(C)(C)[NH2+]CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000932523068 649613645 /nfs/dbraw/zinc/61/36/45/649613645.db2.gz MNPOIZJHLJSBDB-UHFFFAOYSA-N 2 0 297.487 2.537 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C2CCOCC2)C1 ZINC000933083896 649671289 /nfs/dbraw/zinc/67/12/89/649671289.db2.gz LNHHUYSOWCQSKK-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1C[C@@H]2CN(Cc3ccc4ncccc4c3)C[C@]2(C)C1 ZINC000933735147 649718810 /nfs/dbraw/zinc/71/88/10/649718810.db2.gz FTMPXYNJXMFYHQ-AEFFLSMTSA-N 2 0 281.403 2.618 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCSC[C@H]1C1CC1 ZINC000933913317 649731182 /nfs/dbraw/zinc/73/11/82/649731182.db2.gz BBOOABKFOYZKDS-GJZGRUSLSA-N 2 0 268.470 2.688 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934336046 649776124 /nfs/dbraw/zinc/77/61/24/649776124.db2.gz XFQRPLXYICXGFV-LSDHHAIUSA-N 2 0 293.480 2.882 20 0 CFADRP Nc1cc[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165046362 721964957 /nfs/dbraw/zinc/96/49/57/721964957.db2.gz JZGXWINMIGFNEC-OAHLLOKOSA-N 2 0 274.412 2.509 20 0 CFADRP FC1(F)CC[C@@H](C[N@@H+]2CC[NH2+]CCC23CCC3)C1 ZINC000713216097 782207457 /nfs/dbraw/zinc/20/74/57/782207457.db2.gz LAIJXUKJADSOQW-GFCCVEGCSA-N 2 0 258.356 2.640 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723632295 770627079 /nfs/dbraw/zinc/62/70/79/770627079.db2.gz BEQSXYPTVNNMDH-FXUDXRNXSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)CCC1(F)F ZINC001207275764 770866382 /nfs/dbraw/zinc/86/63/82/770866382.db2.gz OQPLYKHEVPOJPB-LBPRGKRZSA-N 2 0 262.388 2.941 20 0 CFADRP C[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373353 778699944 /nfs/dbraw/zinc/69/99/44/778699944.db2.gz PLVWSBLICJIEPJ-AWEZNQCLSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235821018 778566605 /nfs/dbraw/zinc/56/66/05/778566605.db2.gz WQDWTDPWAVQNSB-JKSUJKDBSA-N 2 0 287.451 2.717 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1CCCO1 ZINC001207887680 769826242 /nfs/dbraw/zinc/82/62/42/769826242.db2.gz PKZGYFGRDFQMHZ-ARFHVFGLSA-N 2 0 266.429 2.504 20 0 CFADRP [NH2+]=C(Nc1ccc(-c2ccncc2)cc1)SCC[NH3+] ZINC001167912335 769829715 /nfs/dbraw/zinc/82/97/15/769829715.db2.gz MTQGJPYVGYFAQD-UHFFFAOYSA-N 2 0 272.377 2.787 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206760284 769841432 /nfs/dbraw/zinc/84/14/32/769841432.db2.gz CGNKKGGZTJHULG-HOCLYGCPSA-N 2 0 276.424 2.687 20 0 CFADRP C[NH+]1CCC(C)(C[N@@H+]2CCC3(CCCC3)C2)CC1 ZINC001208108757 769853933 /nfs/dbraw/zinc/85/39/33/769853933.db2.gz AAZGAMIPCHKFJE-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[N@H+](Cc1ccsc1)CC1(C)CC[NH+](C)CC1 ZINC001208113455 769854091 /nfs/dbraw/zinc/85/40/91/769854091.db2.gz JCRWIMOVIKUAAC-UHFFFAOYSA-N 2 0 252.427 2.912 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C)c1C ZINC001206767648 769867342 /nfs/dbraw/zinc/86/73/42/769867342.db2.gz DAOSQTJKGFWAQD-WFASDCNBSA-N 2 0 276.424 2.871 20 0 CFADRP COC(C)(C)[C@H]1CCC[N@@H+]1CC1(C[NH+](C)C)CCCC1 ZINC001208186217 769894915 /nfs/dbraw/zinc/89/49/15/769894915.db2.gz PAKZFFMTYKHQQG-OAHLLOKOSA-N 2 0 282.472 2.998 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OC)c1C ZINC001206772179 769902137 /nfs/dbraw/zinc/90/21/37/769902137.db2.gz YZTVRMQPJZRIEO-OCCSQVGLSA-N 2 0 292.423 2.571 20 0 CFADRP Cc1c[nH+]c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)cc1N ZINC001167088270 769966470 /nfs/dbraw/zinc/96/64/70/769966470.db2.gz BWZVALQUNQWNIL-UHFFFAOYSA-N 2 0 296.349 2.701 20 0 CFADRP COc1c(C)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812234 770022746 /nfs/dbraw/zinc/02/27/46/770022746.db2.gz YJHVALGHNIHBEZ-ZIAGYGMSSA-N 2 0 262.397 2.563 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](CCc1cc(F)c(F)cc1F)CC2 ZINC001209252408 770025435 /nfs/dbraw/zinc/02/54/35/770025435.db2.gz LSYGWUPRUHKOLX-UHFFFAOYSA-N 2 0 298.352 2.674 20 0 CFADRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C[C@H]1C[C@H]1C ZINC001209422225 770073806 /nfs/dbraw/zinc/07/38/06/770073806.db2.gz UEIXVSIDIKHKEO-IAGOWNOFSA-N 2 0 283.504 2.628 20 0 CFADRP C[C@H]1C[C@@H]1C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209425162 770078632 /nfs/dbraw/zinc/07/86/32/770078632.db2.gz CZJHCNAOBBSMPK-UONOGXRCSA-N 2 0 250.430 2.981 20 0 CFADRP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc(C)c1F ZINC001143385365 770503261 /nfs/dbraw/zinc/50/32/61/770503261.db2.gz RHTMILWBGFNWNA-UHFFFAOYSA-N 2 0 276.399 2.970 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)[C@H]1CC[NH3+] ZINC000721469736 770531935 /nfs/dbraw/zinc/53/19/35/770531935.db2.gz XJXBBITXGFRAIK-MROQNXINSA-N 2 0 294.361 2.546 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157244004 770590242 /nfs/dbraw/zinc/59/02/42/770590242.db2.gz VMCJFLFEYBQNPY-ZWKOTPCHSA-N 2 0 282.387 2.972 20 0 CFADRP CC1(C)Cc2cccc(C[N@@H+]3CC[C@H](CC[NH3+])C3)c2O1 ZINC000723701468 770653468 /nfs/dbraw/zinc/65/34/68/770653468.db2.gz FYEMIGJHNRVEBQ-ZDUSSCGKSA-N 2 0 274.408 2.571 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723906328 770710067 /nfs/dbraw/zinc/71/00/67/770710067.db2.gz CAKLWNJKUNXQMQ-HZPDHXFCSA-N 2 0 276.424 2.599 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1CC[NH3+] ZINC000723906487 770711059 /nfs/dbraw/zinc/71/10/59/770711059.db2.gz VPIIEWFRERXLPY-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCOC1 ZINC000723958451 770721593 /nfs/dbraw/zinc/72/15/93/770721593.db2.gz JECHEVOARLFDNR-JJXSEGSLSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000723969455 770726571 /nfs/dbraw/zinc/72/65/71/770726571.db2.gz QQIHGXKMJABHCA-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@@H]1CCCOC1 ZINC000724015782 770754042 /nfs/dbraw/zinc/75/40/42/770754042.db2.gz WYOFXVSZADVVIH-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)[C@@H]1CCCC[NH2+]1 ZINC000403586078 770795828 /nfs/dbraw/zinc/79/58/28/770795828.db2.gz VWSALHXGELPIBK-JWURUJNWSA-N 2 0 254.443 2.533 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001207285836 770905801 /nfs/dbraw/zinc/90/58/01/770905801.db2.gz OZKKWHRPSUFISM-UHFFFAOYSA-N 3 0 295.515 2.628 20 0 CFADRP C[NH+](C)Cc1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001167624276 773195368 /nfs/dbraw/zinc/19/53/68/773195368.db2.gz FALKXYKQNGQUHA-UHFFFAOYSA-N 2 0 290.455 2.628 20 0 CFADRP FC1(C2CC2)CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000724806639 775111442 /nfs/dbraw/zinc/11/14/42/775111442.db2.gz MOJKKGTZLWIOSG-ZDUSSCGKSA-N 2 0 254.393 2.590 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2)C12CCC2 ZINC000405230946 775198284 /nfs/dbraw/zinc/19/82/84/775198284.db2.gz ARXWBEQTFSTFIT-STQMWFEESA-N 2 0 295.224 2.809 20 0 CFADRP CCCC[NH+](CCCC)CCCO[C@@H]1C[NH2+]C[C@H]1C ZINC001217791328 775293847 /nfs/dbraw/zinc/29/38/47/775293847.db2.gz XFMDUUAHWABGIU-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP CCCC[NH+](CCCC)CCCO[C@H](C)C1C[NH2+]C1 ZINC001217830593 775306805 /nfs/dbraw/zinc/30/68/05/775306805.db2.gz HCBWOLVRTKLWBA-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP CCOC(=N)CCCCOC1CC[NH+](CCF)CC1 ZINC001224963878 775321258 /nfs/dbraw/zinc/32/12/58/775321258.db2.gz RBHUXLRYGODVCC-UHFFFAOYSA-N 2 0 274.380 2.621 20 0 CFADRP c1cc(C[N@@H+]2CCCC3(CC3)C2)c2c(c1)C[NH2+]CC2 ZINC000695145248 775677332 /nfs/dbraw/zinc/67/73/32/775677332.db2.gz ARDVUQIUOBNTAW-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(N(C)C)c1 ZINC001277095571 775681774 /nfs/dbraw/zinc/68/17/74/775681774.db2.gz BBDQUCZYZTUGNA-MQVJKMGUSA-N 2 0 291.414 2.607 20 0 CFADRP Cc1ccc(C[NH+]2CCCCC2)cc1-n1ccc(CC[NH3+])n1 ZINC001167731866 775856799 /nfs/dbraw/zinc/85/67/99/775856799.db2.gz ABHZGYQHTSAKOU-UHFFFAOYSA-N 2 0 298.434 2.668 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1CCCOC1 ZINC001207471371 775891812 /nfs/dbraw/zinc/89/18/12/775891812.db2.gz IARBIXYAASSDAD-IKGGRYGDSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001207478996 775923764 /nfs/dbraw/zinc/92/37/64/775923764.db2.gz ADWWFIDVLULJFQ-HNNXBMFYSA-N 2 0 256.409 2.932 20 0 CFADRP C([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC2(CC2)CC1 ZINC000695715604 775959449 /nfs/dbraw/zinc/95/94/49/775959449.db2.gz FTNAXTMFCKYFQC-GVRJEKJASA-N 2 0 260.425 2.543 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)o1 ZINC001222259358 776053702 /nfs/dbraw/zinc/05/37/02/776053702.db2.gz NISPHWYOHWFMPW-KRWDZBQOSA-N 2 0 276.424 2.986 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccn2cc(N)nc2c1 ZINC001167751698 776081553 /nfs/dbraw/zinc/08/15/53/776081553.db2.gz MBBNMQIHMOZZIK-CYBMUJFWSA-N 2 0 287.411 2.593 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000709466905 776140595 /nfs/dbraw/zinc/14/05/95/776140595.db2.gz STRCWJUYKRAYRG-BXUZGUMPSA-N 2 0 252.789 2.912 20 0 CFADRP c1cncc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709490029 776142506 /nfs/dbraw/zinc/14/25/06/776142506.db2.gz IGKPQPOMXKVZDQ-QXULXFAOSA-N 2 0 257.381 2.502 20 0 CFADRP Cc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)ccc1Cl ZINC001222543477 776169883 /nfs/dbraw/zinc/16/98/83/776169883.db2.gz VREBHEGJZWSRJL-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228270468 776440539 /nfs/dbraw/zinc/44/05/39/776440539.db2.gz RGPLILFJMXAJFV-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP Cc1nc2cc(O[C@@H]3CCC[N@@H+](C)CC3)ccc2[nH]1 ZINC001228326670 776461190 /nfs/dbraw/zinc/46/11/90/776461190.db2.gz JXTZAJFJIGSEOT-GFCCVEGCSA-N 2 0 259.353 2.734 20 0 CFADRP c1ccc(-c2ccc(CN3CCC[NH2+]CC3)cc2)nc1 ZINC001204667351 776544150 /nfs/dbraw/zinc/54/41/50/776544150.db2.gz IWJYCOIWSHUMKF-UHFFFAOYSA-N 2 0 267.376 2.544 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC001167825540 776545659 /nfs/dbraw/zinc/54/56/59/776545659.db2.gz JVLHUAIJQXFYQQ-JKSUJKDBSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001167827851 776554815 /nfs/dbraw/zinc/55/48/15/776554815.db2.gz YLBNRBSGQPHWNG-DLBZAZTESA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC001167827894 776554980 /nfs/dbraw/zinc/55/49/80/776554980.db2.gz ZDPKJKWONUTUJL-DLBZAZTESA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC001167827895 776555256 /nfs/dbraw/zinc/55/52/56/776555256.db2.gz ZDPKJKWONUTUJL-IAGOWNOFSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)CC(C)(C)O ZINC001167838677 776586795 /nfs/dbraw/zinc/58/67/95/776586795.db2.gz VTINXHQXJXMNIN-CQSZACIVSA-N 2 0 258.450 2.590 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOC[C@H]1C(C)C ZINC001167838220 776588829 /nfs/dbraw/zinc/58/88/29/776588829.db2.gz SBDCFSHPNZGKMQ-HOTGVXAUSA-N 2 0 270.461 2.854 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001167839537 776590635 /nfs/dbraw/zinc/59/06/35/776590635.db2.gz ZLPBMWGQNSFDTA-CVEARBPZSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC001167838715 776591614 /nfs/dbraw/zinc/59/16/14/776591614.db2.gz WIUZYNWPXPHGMH-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@H]1CCC2(C1)OCCO2 ZINC001167840963 776603275 /nfs/dbraw/zinc/60/32/75/776603275.db2.gz IUKNWKVOVSJJNZ-HOTGVXAUSA-N 2 0 298.471 2.724 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOC[C@H]1C1CC1 ZINC001167841419 776606527 /nfs/dbraw/zinc/60/65/27/776606527.db2.gz MSVHFGZLRRMGFA-HOCLYGCPSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001167841634 776608201 /nfs/dbraw/zinc/60/82/01/776608201.db2.gz NJFQIRMYMFIVMV-DOTOQJQBSA-N 2 0 281.488 2.665 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2cccnc2C1 ZINC001167842872 776614741 /nfs/dbraw/zinc/61/47/41/776614741.db2.gz ZMLHCRXJZNBGFL-HNNXBMFYSA-N 2 0 275.440 2.950 20 0 CFADRP C([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CC2CCC2)CC1 ZINC001167915901 776864182 /nfs/dbraw/zinc/86/41/82/776864182.db2.gz FAKMODGHPGBADR-BJWYYQGGSA-N 2 0 262.441 2.887 20 0 CFADRP C[NH+](C)CCc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001229656902 776867433 /nfs/dbraw/zinc/86/74/33/776867433.db2.gz CAJAYLYCXNOFLI-ALXJQNPVSA-N 2 0 288.435 2.795 20 0 CFADRP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229801262 776895595 /nfs/dbraw/zinc/89/55/95/776895595.db2.gz OVWZASOPPRZCJP-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918133 776914428 /nfs/dbraw/zinc/91/44/28/776914428.db2.gz GHQQWWAHBGIDDH-QLPKVWCKSA-N 2 0 288.410 2.960 20 0 CFADRP CC[N@@H+]1CCC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225335274 776972060 /nfs/dbraw/zinc/97/20/60/776972060.db2.gz YUILOSWKFRNZQO-MRXNPFEDSA-N 2 0 262.397 2.611 20 0 CFADRP c1cc(CN2CC[C@@H]3C[N@@H+]([C@@H]4C[C@H]5C[C@H]5C4)C[C@@H]3C2)ccn1 ZINC001167934593 776974321 /nfs/dbraw/zinc/97/43/21/776974321.db2.gz HOUNHRMIPWXKDF-ZSXDVEMLSA-N 2 0 297.446 2.634 20 0 CFADRP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167936489 776979180 /nfs/dbraw/zinc/97/91/80/776979180.db2.gz OFXYTGPRNNCVAQ-QKPAOTATSA-N 2 0 292.467 2.797 20 0 CFADRP CCCC[NH+]1CCC([N@H+](C)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167949683 777174114 /nfs/dbraw/zinc/17/41/14/777174114.db2.gz YMPRXWSVIJIAJL-MIFYACCESA-N 2 0 250.430 2.981 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231672085 777305767 /nfs/dbraw/zinc/30/57/67/777305767.db2.gz ARJDFMNJRHHQJG-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP c1[nH+]cn2c1cccc2CN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001277560437 777322220 /nfs/dbraw/zinc/32/22/20/777322220.db2.gz YZHDQXLNPVPVCX-UHFFFAOYSA-N 2 0 296.418 2.537 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@H]1CCCCO1 ZINC001167963666 777386173 /nfs/dbraw/zinc/38/61/73/777386173.db2.gz ATBWKICLMFUCJW-NPYXIHBLSA-N 2 0 278.440 2.551 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712835843 777390222 /nfs/dbraw/zinc/39/02/22/777390222.db2.gz DNLOAJMWZJZGEB-CVEARBPZSA-N 2 0 298.471 2.772 20 0 CFADRP OCC[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccccc1 ZINC001232010611 777410347 /nfs/dbraw/zinc/41/03/47/777410347.db2.gz JBQIGFGHZCVDRG-UHFFFAOYSA-N 2 0 281.359 2.557 20 0 CFADRP c1c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232012002 777411319 /nfs/dbraw/zinc/41/13/19/777411319.db2.gz SEXDMYDNOWIOQF-MLGOLLRUSA-N 2 0 271.364 2.564 20 0 CFADRP CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232013647 777412315 /nfs/dbraw/zinc/41/23/15/777412315.db2.gz BSSQVEODTKDWAL-ISTRZQFTSA-N 2 0 285.391 2.810 20 0 CFADRP CO[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167967592 777425827 /nfs/dbraw/zinc/42/58/27/777425827.db2.gz HYRYHXSWOFAYCB-APQKRDRJSA-N 2 0 292.467 2.939 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CO1 ZINC001167973762 777440072 /nfs/dbraw/zinc/44/00/72/777440072.db2.gz MXEQXKCCQQDGTC-PNRVRQOCSA-N 2 0 278.440 2.549 20 0 CFADRP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCCC1 ZINC001167977473 777446501 /nfs/dbraw/zinc/44/65/01/777446501.db2.gz CQPJQCMVTNOYMO-ALOPSCKCSA-N 2 0 292.467 2.677 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232144331 777450108 /nfs/dbraw/zinc/45/01/08/777450108.db2.gz IGVCDDNIEZARJI-LBPRGKRZSA-N 2 0 250.361 2.729 20 0 CFADRP CO[C@@H]1CCC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145970 777451677 /nfs/dbraw/zinc/45/16/77/777451677.db2.gz FXTHFHSDJSYSDP-QGZVFWFLSA-N 2 0 294.414 2.888 20 0 CFADRP COC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983882 777455276 /nfs/dbraw/zinc/45/52/76/777455276.db2.gz KJBFYGMSSGLUTA-XYPWUTKMSA-N 2 0 278.440 2.503 20 0 CFADRP CCC[N@H+](CCOC)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984246 777458067 /nfs/dbraw/zinc/45/80/67/777458067.db2.gz LYZOUNVLAQUNIY-SJPCQFCGSA-N 2 0 280.456 2.750 20 0 CFADRP COC[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984490 777460844 /nfs/dbraw/zinc/46/08/44/777460844.db2.gz PFBKXLOSYZGYOB-TVXGVJEUSA-N 2 0 278.440 2.503 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3ccnc4c(F)cccc34)C2)CC1 ZINC001232212889 777475523 /nfs/dbraw/zinc/47/55/23/777475523.db2.gz AABXZIDDMFWPQM-UHFFFAOYSA-N 2 0 299.393 2.902 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204748674 777481664 /nfs/dbraw/zinc/48/16/64/777481664.db2.gz OZNAUKUIVRZNCX-HOTGVXAUSA-N 2 0 268.445 2.809 20 0 CFADRP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167993739 777525677 /nfs/dbraw/zinc/52/56/77/777525677.db2.gz QSBXIMWPHITJHM-WIJYETCKSA-N 2 0 278.415 2.824 20 0 CFADRP C[N@H+](C[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995727 777532053 /nfs/dbraw/zinc/53/20/53/777532053.db2.gz PAUABLZIOYYIIV-UJJTZGENSA-N 2 0 292.467 2.893 20 0 CFADRP Cc1cccc(F)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001232483092 777577066 /nfs/dbraw/zinc/57/70/66/777577066.db2.gz BSJBEOZUIXDADE-UHFFFAOYSA-N 2 0 262.372 2.662 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CO)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006297 777580079 /nfs/dbraw/zinc/58/00/79/777580079.db2.gz MUXXDULACHEBPY-SCAQPMJSSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@@H]1CC([NH2+][C@H]2CCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006713 777580794 /nfs/dbraw/zinc/58/07/94/777580794.db2.gz OJQURJSEMUENMG-INMHGKMJSA-N 2 0 288.435 2.807 20 0 CFADRP C[NH+]1C(C)(C)CC(Oc2cc[nH+]c(N)c2)CC1(C)C ZINC001226657847 777592546 /nfs/dbraw/zinc/59/25/46/777592546.db2.gz SEBSPFMRHUMRMK-UHFFFAOYSA-N 2 0 263.385 2.694 20 0 CFADRP COc1cccc(C)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001232623127 777621190 /nfs/dbraw/zinc/62/11/90/777621190.db2.gz JJNOBZZYMBYWGB-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP c1cc(N2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc[nH+]1 ZINC001277693446 777627505 /nfs/dbraw/zinc/62/75/05/777627505.db2.gz GXEYHVBQQPNDHG-UHFFFAOYSA-N 2 0 257.381 2.536 20 0 CFADRP C[C@@H]1CC(n2cc(C[NH3+])cn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012977 777628764 /nfs/dbraw/zinc/62/87/64/777628764.db2.gz GNYBKVMUJHTMOY-HUUCEWRRSA-N 2 0 298.434 2.956 20 0 CFADRP CN1CCC([N@H+](Cc2cccc(N)n2)C2CCCC2)CC1 ZINC001233372980 777916613 /nfs/dbraw/zinc/91/66/13/777916613.db2.gz NIEJXEGGUPLCGD-UHFFFAOYSA-N 2 0 288.439 2.503 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1cccc(N)n1 ZINC001233371787 777917582 /nfs/dbraw/zinc/91/75/82/777917582.db2.gz IYIGKXDFPRAPFK-HOTGVXAUSA-N 2 0 288.439 2.503 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCO1 ZINC001168094089 778029803 /nfs/dbraw/zinc/02/98/03/778029803.db2.gz RQOASJSUQZBWLZ-YOEHRIQHSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H](C)[N@@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1 ZINC001277808256 778078308 /nfs/dbraw/zinc/07/83/08/778078308.db2.gz UXJXHXDHBPJWOV-WBVHZDCISA-N 2 0 280.456 2.894 20 0 CFADRP CC[C@@H](C)[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001277806824 778088149 /nfs/dbraw/zinc/08/81/49/778088149.db2.gz IWZURWDUZFHENU-CQSZACIVSA-N 2 0 261.413 2.711 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3[nH]cnc3C(C)(C)C)C2)CC1 ZINC001142230772 778090512 /nfs/dbraw/zinc/09/05/12/778090512.db2.gz PJVDVAGJOQNRPL-UHFFFAOYSA-N 2 0 290.455 2.625 20 0 CFADRP COc1ccccc1N(C)c1ccc(CN(C)CC[NH3+])cc1 ZINC001204699919 778215691 /nfs/dbraw/zinc/21/56/91/778215691.db2.gz UXIUHBLDPFKKKP-UHFFFAOYSA-N 2 0 299.418 2.854 20 0 CFADRP C[N@@H+]1CCc2c(cccc2OC2CC[NH+](C3CC3)CC2)C1 ZINC001234425610 778224129 /nfs/dbraw/zinc/22/41/29/778224129.db2.gz XLEFSQVMLUWKLC-UHFFFAOYSA-N 2 0 286.419 2.680 20 0 CFADRP CC1CCC([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC001168205443 778251330 /nfs/dbraw/zinc/25/13/30/778251330.db2.gz BSZAAJWASKHRQC-GWEOLNPGSA-N 2 0 280.456 2.798 20 0 CFADRP CCc1ccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)s1 ZINC001235005029 778349985 /nfs/dbraw/zinc/34/99/85/778349985.db2.gz CAQGXUKZRIYYON-MRXNPFEDSA-N 2 0 294.464 2.513 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235005233 778351347 /nfs/dbraw/zinc/35/13/47/778351347.db2.gz CCBBFILTZBBPDF-SFHVURJKSA-N 2 0 288.435 2.505 20 0 CFADRP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)CC1 ZINC001235005098 778352212 /nfs/dbraw/zinc/35/22/12/778352212.db2.gz DONFKLPXDONGGK-KSZLIROESA-N 2 0 292.467 2.681 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235034067 778362527 /nfs/dbraw/zinc/36/25/27/778362527.db2.gz UEWOGIHYIZQVPJ-GOSISDBHSA-N 2 0 281.403 2.663 20 0 CFADRP CCOc1ccc(C)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235103788 778382044 /nfs/dbraw/zinc/38/20/44/778382044.db2.gz KTJRDDOWVLYAHE-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP Fc1cc(F)cc(CC[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001235134794 778394789 /nfs/dbraw/zinc/39/47/89/778394789.db2.gz GCDUMJZBKHCRKN-UHFFFAOYSA-N 2 0 294.389 2.973 20 0 CFADRP [NH3+][C@H](Cc1ccccc1)CN1CCC2(CC(F)C2)CC1 ZINC001235135893 778394848 /nfs/dbraw/zinc/39/48/48/778394848.db2.gz ROIIWYQFYADKKL-MRXNPFEDSA-N 2 0 276.399 2.771 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235134832 778394975 /nfs/dbraw/zinc/39/49/75/778394975.db2.gz HREKZCINJOWNFU-ARFHVFGLSA-N 2 0 260.425 2.664 20 0 CFADRP Nc1ccccc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154052 778398882 /nfs/dbraw/zinc/39/88/82/778398882.db2.gz HIRMLEJPESQTOO-QGZVFWFLSA-N 2 0 273.424 2.623 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1C ZINC001235192550 778409485 /nfs/dbraw/zinc/40/94/85/778409485.db2.gz CWAXSZAKSKSNBM-HZPDHXFCSA-N 2 0 288.435 2.662 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168286692 778410091 /nfs/dbraw/zinc/41/00/91/778410091.db2.gz KIUIXSJELWIPOT-KRWDZBQOSA-N 2 0 290.451 2.826 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cnc2ccccn21 ZINC001168290206 778410107 /nfs/dbraw/zinc/41/01/07/778410107.db2.gz DJNSYPLXFKRIPF-WLYUNCDWSA-N 2 0 286.423 2.858 20 0 CFADRP Cc1c(Cl)cccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235198685 778412441 /nfs/dbraw/zinc/41/24/41/778412441.db2.gz SOOLOXBIPFPBFY-TZMCWYRMSA-N 2 0 264.800 2.690 20 0 CFADRP Cn1cc2cccc(C[NH2+]C3CCC([NH+](C)C)CC3)c2n1 ZINC001168297583 778413096 /nfs/dbraw/zinc/41/30/96/778413096.db2.gz FBCLVKCFGNTYPY-UHFFFAOYSA-N 2 0 286.423 2.536 20 0 CFADRP CCOC(=O)CCCCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297791 778413226 /nfs/dbraw/zinc/41/32/26/778413226.db2.gz LQLLKSBOJKEQBF-UHFFFAOYSA-N 2 0 298.471 2.962 20 0 CFADRP C[NH+](C)C1CCC(NC(=[NH2+])c2cccnc2Cl)CC1 ZINC001168304044 778417802 /nfs/dbraw/zinc/41/78/02/778417802.db2.gz MEGMENIQCJZMAS-UHFFFAOYSA-N 2 0 280.803 2.523 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC001168304876 778418612 /nfs/dbraw/zinc/41/86/12/778418612.db2.gz GHRTWCJVZYWVCA-AQFXKWCLSA-N 2 0 293.499 2.856 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)c2ccc(F)cn2)CC1 ZINC001168305761 778419418 /nfs/dbraw/zinc/41/94/18/778419418.db2.gz MHAFVLOWOZNMEB-UHFFFAOYSA-N 2 0 293.430 2.961 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@H]3C1)CC[NH2+]C2 ZINC001235223915 778420825 /nfs/dbraw/zinc/42/08/25/778420825.db2.gz GJWASBHBHXESEF-YJBOKZPZSA-N 2 0 270.420 2.954 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235227907 778421408 /nfs/dbraw/zinc/42/14/08/778421408.db2.gz GMKNPJJVMJZAFJ-OAHLLOKOSA-N 2 0 277.387 2.575 20 0 CFADRP c1nc2c(cccc2C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235226811 778421828 /nfs/dbraw/zinc/42/18/28/778421828.db2.gz FQEVETAKXFRJPS-INIZCTEOSA-N 2 0 298.434 2.917 20 0 CFADRP CC[NH+]1CCC(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233948 778423772 /nfs/dbraw/zinc/42/37/72/778423772.db2.gz VFAOBVXGRQYRAK-SFHVURJKSA-N 3 0 293.499 2.572 20 0 CFADRP c1[nH]nc2c1cccc2C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237537 778426721 /nfs/dbraw/zinc/42/67/21/778426721.db2.gz CJGOONCXMWBRDF-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP CNc1ncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235240261 778428398 /nfs/dbraw/zinc/42/83/98/778428398.db2.gz LEQIUDFDELHWNG-CQSZACIVSA-N 2 0 294.468 2.539 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccc3ccoc31)C2 ZINC001235247639 778430448 /nfs/dbraw/zinc/43/04/48/778430448.db2.gz GJWQMBPEHKBKMW-GDBMZVCRSA-N 2 0 256.349 2.746 20 0 CFADRP C[C@H]1C[C@@H]1C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249604 778431873 /nfs/dbraw/zinc/43/18/73/778431873.db2.gz TWEKYGZAPQYVQV-DZOHQFGASA-N 2 0 270.420 2.864 20 0 CFADRP FC(F)(F)c1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235253929 778433561 /nfs/dbraw/zinc/43/35/61/778433561.db2.gz GGOSXTZVXAZRSJ-ZFWWWQNUSA-N 2 0 298.352 2.932 20 0 CFADRP CCOC(=O)[C@]1(C)CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168327377 778434217 /nfs/dbraw/zinc/43/42/17/778434217.db2.gz LEVHUWRBOBVXMQ-VMBOVVBDSA-N 2 0 296.455 2.524 20 0 CFADRP CCOC(=O)[C@H]1CCCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168328166 778434783 /nfs/dbraw/zinc/43/47/83/778434783.db2.gz YESCCKDQKWEFRH-FHERZECASA-N 2 0 296.455 2.524 20 0 CFADRP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235261133 778436894 /nfs/dbraw/zinc/43/68/94/778436894.db2.gz OXTCPRQNBNZINM-CKMBUZLOSA-N 2 0 274.452 2.887 20 0 CFADRP C[C@@H](C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC001235283354 778442375 /nfs/dbraw/zinc/44/23/75/778442375.db2.gz NBQHPZCXJOMJIB-BIMQEMHKSA-N 2 0 266.388 2.832 20 0 CFADRP CCCC[N@H+](CC)CCNC1CC[NH+](CC2CC2)CC1 ZINC001168353029 778447090 /nfs/dbraw/zinc/44/70/90/778447090.db2.gz HNTNVRRVMMHGSA-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP [NH3+]Cc1cccc2cnn(C3CC[NH+](CC4CC4)CC3)c21 ZINC001168357469 778460095 /nfs/dbraw/zinc/46/00/95/778460095.db2.gz AXPXXPIGCHWTRT-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP c1ccn(-c2ccc(C[NH+]3CCC(C4C[NH2+]C4)CC3)cc2)c1 ZINC001235340571 778460162 /nfs/dbraw/zinc/46/01/62/778460162.db2.gz RBCDQQRMKMMJEF-UHFFFAOYSA-N 2 0 295.430 2.909 20 0 CFADRP CCOc1ccc(C)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235340977 778460753 /nfs/dbraw/zinc/46/07/53/778460753.db2.gz WOZRUMJVHHSUET-UHFFFAOYSA-N 2 0 288.435 2.825 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(O)cc1 ZINC001168359493 778471372 /nfs/dbraw/zinc/47/13/72/778471372.db2.gz ATQOKLBHQFWOAY-AWEZNQCLSA-N 2 0 288.435 2.960 20 0 CFADRP [NH3+][C@@H]1CCN(C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC001168359580 778473312 /nfs/dbraw/zinc/47/33/12/778473312.db2.gz BYYUWJRKCMZKKE-QGZVFWFLSA-N 2 0 285.435 2.771 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC000721255890 778475593 /nfs/dbraw/zinc/47/55/93/778475593.db2.gz TWTMEPGWLVDTJX-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c1)CCN2 ZINC001235420783 778486263 /nfs/dbraw/zinc/48/62/63/778486263.db2.gz BCPQKTAFCIEQAG-JKSUJKDBSA-N 2 0 299.462 2.866 20 0 CFADRP C[N@@H+](Cc1ccc(-n2cccc2)cc1)CC1CC[NH2+]CC1 ZINC001235433721 778488041 /nfs/dbraw/zinc/48/80/41/778488041.db2.gz NETQSHGNRMOOJW-UHFFFAOYSA-N 2 0 283.419 2.909 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697879451 778492439 /nfs/dbraw/zinc/49/24/39/778492439.db2.gz YPHBGASJQISMIZ-STQMWFEESA-N 2 0 252.377 2.687 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+]C2(CC3CC3)CCOCC2)CC1 ZINC001168365097 778530361 /nfs/dbraw/zinc/53/03/61/778530361.db2.gz LMPOOBZDDKARHP-UHFFFAOYSA-N 2 0 292.467 2.800 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001235677268 778534392 /nfs/dbraw/zinc/53/43/92/778534392.db2.gz APIUHFPANXVNOW-GDBMZVCRSA-N 2 0 250.430 2.910 20 0 CFADRP c1c(C[NH+]2CCc3ccccc3CC2)sc2c1CC[NH2+]C2 ZINC001235692327 778539502 /nfs/dbraw/zinc/53/95/02/778539502.db2.gz ZMNZGQFTERGWRF-UHFFFAOYSA-N 2 0 298.455 2.995 20 0 CFADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235695397 778540815 /nfs/dbraw/zinc/54/08/15/778540815.db2.gz SOGBUYCIQYOMSB-UONOGXRCSA-N 2 0 258.409 2.953 20 0 CFADRP c1cc2c(c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c1)CCN2 ZINC001235703423 778541636 /nfs/dbraw/zinc/54/16/36/778541636.db2.gz VCPPSECKYLDDEF-UHFFFAOYSA-N 2 0 299.462 2.866 20 0 CFADRP COc1ncc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC001235700117 778542181 /nfs/dbraw/zinc/54/21/81/778542181.db2.gz DQJPHOSOSAYHKZ-UHFFFAOYSA-N 2 0 297.830 2.517 20 0 CFADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc(F)c1F ZINC001143609686 778543760 /nfs/dbraw/zinc/54/37/60/778543760.db2.gz JBLPYRFCXOLWOG-UHFFFAOYSA-N 2 0 280.362 2.801 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001235710121 778543815 /nfs/dbraw/zinc/54/38/15/778543815.db2.gz MEFLLSQNLHGWLC-INIZCTEOSA-N 2 0 296.842 2.931 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001235715185 778545543 /nfs/dbraw/zinc/54/55/43/778545543.db2.gz REPZGPBFJFUNDQ-CQSZACIVSA-N 2 0 254.324 2.841 20 0 CFADRP COc1cc(C)cc(F)c1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717055 778546529 /nfs/dbraw/zinc/54/65/29/778546529.db2.gz BYNLIUGICYLTBM-UHFFFAOYSA-N 2 0 294.414 2.964 20 0 CFADRP C[N@H+](CCc1ccccc1Cl)CC1(F)CC[NH2+]CC1 ZINC001235839224 778574962 /nfs/dbraw/zinc/57/49/62/778574962.db2.gz OCURLQOELYZTBJ-UHFFFAOYSA-N 2 0 284.806 2.906 20 0 CFADRP Cc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc(C)c1Cl ZINC001235841486 778576248 /nfs/dbraw/zinc/57/62/48/778576248.db2.gz GIQAAPDXPQERKZ-ZDUSSCGKSA-N 2 0 266.816 2.998 20 0 CFADRP Cc1ccc(CC[N@@H+](C)Cc2ccc3n2CC[NH2+]C3)cc1 ZINC001235840533 778576424 /nfs/dbraw/zinc/57/64/24/778576424.db2.gz PCJFWTMUSGDCMA-UHFFFAOYSA-N 2 0 283.419 2.574 20 0 CFADRP FC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC001235868908 778585548 /nfs/dbraw/zinc/58/55/48/778585548.db2.gz WPTSNKWPIHSRRL-KGLIPLIRSA-N 2 0 254.393 2.733 20 0 CFADRP CC[NH2+]CCN1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001235882926 778589327 /nfs/dbraw/zinc/58/93/27/778589327.db2.gz TWSZIIRMBQKGFI-CYBMUJFWSA-N 2 0 297.240 2.848 20 0 CFADRP COc1cccc(C)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235889184 778591340 /nfs/dbraw/zinc/59/13/40/778591340.db2.gz XFAGCYHEPQYEMZ-QGZVFWFLSA-N 2 0 288.435 2.968 20 0 CFADRP COc1c(C)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235888281 778591432 /nfs/dbraw/zinc/59/14/32/778591432.db2.gz MKDDAYJILLNIQF-QGZVFWFLSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1cc(F)cc(C)c1CN1C[C@H]([NH3+])CC[C@H]1C ZINC001235893367 778594072 /nfs/dbraw/zinc/59/40/72/778594072.db2.gz RWMIUYQHXUWAJJ-TZMCWYRMSA-N 2 0 250.361 2.754 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)CC[NH2+]C2 ZINC001235918741 778608866 /nfs/dbraw/zinc/60/88/66/778608866.db2.gz KAPNNSIZFLUBTK-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928885 778612215 /nfs/dbraw/zinc/61/22/15/778612215.db2.gz DWNXEXPMJMZNRW-IRXDYDNUSA-N 2 0 258.409 2.851 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235929051 778612451 /nfs/dbraw/zinc/61/24/51/778612451.db2.gz GOGFYICPUPVCKA-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929039 778612508 /nfs/dbraw/zinc/61/25/08/778612508.db2.gz GFKBASGUUXZJGL-IRXDYDNUSA-N 2 0 288.435 2.907 20 0 CFADRP c1ccn(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cc2)c1 ZINC001235936945 778618307 /nfs/dbraw/zinc/61/83/07/778618307.db2.gz HMYMDVBQIGSEDP-IRXDYDNUSA-N 2 0 281.403 2.519 20 0 CFADRP Clc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c21 ZINC001235940342 778618896 /nfs/dbraw/zinc/61/88/96/778618896.db2.gz SLWWNQIKMHKVJF-RYUDHWBXSA-N 2 0 289.810 2.863 20 0 CFADRP FC1(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)CC[NH2+]CC1 ZINC001235949373 778624312 /nfs/dbraw/zinc/62/43/12/778624312.db2.gz HGQGGAXSBWSYKK-OAHLLOKOSA-N 2 0 268.420 2.980 20 0 CFADRP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1C ZINC001235957326 778627085 /nfs/dbraw/zinc/62/70/85/778627085.db2.gz MXMFWIHEDJKYRY-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)[N@H+](CC(=O)c1ccccc1)CC1(C)CC[NH2+]CC1 ZINC001235961564 778629819 /nfs/dbraw/zinc/62/98/19/778629819.db2.gz CFWZSTBBFOJMTP-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CC[N@H+](Cc1cccc(OC)c1)CC1(C)CC[NH2+]CC1 ZINC001235962062 778630948 /nfs/dbraw/zinc/63/09/48/778630948.db2.gz JIXYCVUSQJGIBD-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc12 ZINC001235994625 778645711 /nfs/dbraw/zinc/64/57/11/778645711.db2.gz ZGWSILIZZLZIIC-MCPYQZEQSA-N 2 0 296.414 2.554 20 0 CFADRP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@@H+](C[C@H]2CC=CCC2)C3)cc1 ZINC001236006808 778652226 /nfs/dbraw/zinc/65/22/26/778652226.db2.gz RWFWRANEOIWIOU-UHOSZYNNSA-N 2 0 282.431 2.816 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001236008515 778653009 /nfs/dbraw/zinc/65/30/09/778653009.db2.gz LVUFZGBJMWZTRT-HNNXBMFYSA-N 2 0 264.388 2.690 20 0 CFADRP CCOc1ccc(C)c(CN(CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236011365 778653732 /nfs/dbraw/zinc/65/37/32/778653732.db2.gz XUZALXALBAKSAO-MRXNPFEDSA-N 2 0 276.424 2.968 20 0 CFADRP CCN(Cc1ccc2c(c1)NCCC2)[C@H]1CCC[NH2+]C1 ZINC001236011717 778654273 /nfs/dbraw/zinc/65/42/73/778654273.db2.gz ZQRRHKPWTGDTCG-INIZCTEOSA-N 2 0 273.424 2.619 20 0 CFADRP COc1cccc(CCC[N@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC001236042674 778661553 /nfs/dbraw/zinc/66/15/53/778661553.db2.gz RKSNIZJYIATZJV-KRWDZBQOSA-N 2 0 290.451 2.949 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(COc2ccc(F)cc2)CC1 ZINC001236044925 778663805 /nfs/dbraw/zinc/66/38/05/778663805.db2.gz PYTYAMUNFNOJBJ-UHFFFAOYSA-N 2 0 280.387 2.655 20 0 CFADRP c1cc(C[N@@H+]2CCOC3(CCCCC3)C2)cc2c1C[NH2+]C2 ZINC001236045576 778663930 /nfs/dbraw/zinc/66/39/30/778663930.db2.gz WLRDIFJZAQKFPV-UHFFFAOYSA-N 2 0 286.419 2.825 20 0 CFADRP CCCC[NH+](CCCC)CCCO[C@@H]1CC[N@H+](C)C1 ZINC001224755304 778669274 /nfs/dbraw/zinc/66/92/74/778669274.db2.gz MBYSECLQWDNQGL-MRXNPFEDSA-N 2 0 270.461 2.999 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H](C)[NH2+]C[C@@H]3C)cc21 ZINC001236079894 778684155 /nfs/dbraw/zinc/68/41/55/778684155.db2.gz WNKCUJBEHHBBJM-GJZGRUSLSA-N 2 0 299.462 2.870 20 0 CFADRP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236093869 778688869 /nfs/dbraw/zinc/68/88/69/778688869.db2.gz LPRAFGZWRUEYEB-LSDHHAIUSA-N 2 0 296.455 2.715 20 0 CFADRP C[NH+](C)CCCn1cc(-c2cccc(C(C)(C)[NH3+])c2)cn1 ZINC001236156305 778721143 /nfs/dbraw/zinc/72/11/43/778721143.db2.gz TUTHXOKZMDBROY-UHFFFAOYSA-N 2 0 286.423 2.696 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236190085 778731442 /nfs/dbraw/zinc/73/14/42/778731442.db2.gz DUZGPTULHCCOCA-INIZCTEOSA-N 2 0 257.381 2.914 20 0 CFADRP c1[nH]c2ccccc2c1[C@@H]1CCC[N@H+]1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236190259 778731567 /nfs/dbraw/zinc/73/15/67/778731567.db2.gz REUWYOMKXVIKCW-MMNPAVHPSA-N 2 0 281.403 2.770 20 0 CFADRP CC(C)[N@H+](C)[C@@H]1CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001236208829 778737195 /nfs/dbraw/zinc/73/71/95/778737195.db2.gz JANXVKSGPQJDAM-QGZVFWFLSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCCN2)C1(C)CC[NH2+]CC1 ZINC001236225751 778745417 /nfs/dbraw/zinc/74/54/17/778745417.db2.gz FHALWRRWNAYYRY-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP C[N@H+](CC1CC(F)(F)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387242 778766750 /nfs/dbraw/zinc/76/67/50/778766750.db2.gz AGRAUEVJITVPCO-UHFFFAOYSA-N 2 0 272.383 2.838 20 0 CFADRP c1ccc(C2(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001236314949 778774239 /nfs/dbraw/zinc/77/42/39/778774239.db2.gz SXVJUXLSASZPPW-IYBDPMFKSA-N 2 0 270.420 2.650 20 0 CFADRP Fc1ccc2c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c[nH]c2c1 ZINC001236315548 778775104 /nfs/dbraw/zinc/77/51/04/778775104.db2.gz KXWQBZDTRFAVQY-BETUJISGSA-N 2 0 287.382 2.738 20 0 CFADRP Oc1cc2ccccc2c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320524 778778199 /nfs/dbraw/zinc/77/81/99/778778199.db2.gz IFFOFMMXDGHBEG-IYBDPMFKSA-N 2 0 296.414 2.977 20 0 CFADRP FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)o1 ZINC001236320742 778778207 /nfs/dbraw/zinc/77/82/07/778778207.db2.gz DBXGSJJNIASRHO-PHIMTYICSA-N 2 0 288.313 2.730 20 0 CFADRP COc1cc(C)c(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322060 778778685 /nfs/dbraw/zinc/77/86/85/778778685.db2.gz UZULYVOHRMSAQY-IYBDPMFKSA-N 2 0 288.435 2.743 20 0 CFADRP c1cc(C[N@@H+]2CCCC3(CCC3)C2)cc(N2CC[NH2+]CC2)c1 ZINC001236322601 778780384 /nfs/dbraw/zinc/78/03/84/778780384.db2.gz QIDFHFRSFXFNMM-UHFFFAOYSA-N 2 0 299.462 2.862 20 0 CFADRP COCC[C@H]1CCCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392640 778780528 /nfs/dbraw/zinc/78/05/28/778780528.db2.gz QXJIYWDOFYJFKG-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168396082 778785549 /nfs/dbraw/zinc/78/55/49/778785549.db2.gz CAGSJLVCUFSJJH-INIZCTEOSA-N 2 0 264.388 2.614 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC001168397892 778788340 /nfs/dbraw/zinc/78/83/40/778788340.db2.gz QJRDSBPWDDCZJB-KRWDZBQOSA-N 2 0 276.399 2.759 20 0 CFADRP [NH3+]CCCCCN(Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC001236356366 778790452 /nfs/dbraw/zinc/79/04/52/778790452.db2.gz OYEBWMDDQYVDGX-MRXNPFEDSA-N 2 0 293.430 2.509 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000032112672 778795773 /nfs/dbraw/zinc/79/57/73/778795773.db2.gz VAQYHTIBJYRKEI-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)CCC2)C[C@@H]1CC[NH2+]C1 ZINC001236407163 778804644 /nfs/dbraw/zinc/80/46/44/778804644.db2.gz CKNWVQDURCKDRW-OAHLLOKOSA-N 2 0 258.409 2.607 20 0 CFADRP CC[N@@H+](Cc1cccc2c1CCCC2)C[C@H]1CC[NH2+]C1 ZINC001236407099 778804736 /nfs/dbraw/zinc/80/47/36/778804736.db2.gz BPTFJJOCNRLRMP-HNNXBMFYSA-N 2 0 272.436 2.997 20 0 CFADRP CCOc1ccc(C)cc1CN(CC)C[C@H]1CC[NH2+]C1 ZINC001236409791 778805517 /nfs/dbraw/zinc/80/55/17/778805517.db2.gz WPSVYGAXSKWSTN-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2cccc(C[NH3+])n2)cc1 ZINC001236426778 778821179 /nfs/dbraw/zinc/82/11/79/778821179.db2.gz UUFHARIYXGMCRW-UHFFFAOYSA-N 2 0 269.392 2.953 20 0 CFADRP CC[C@H]([NH3+])CN(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451355 778833055 /nfs/dbraw/zinc/83/30/55/778833055.db2.gz PMOUKRXVZDOGJX-AWEZNQCLSA-N 2 0 295.858 2.631 20 0 CFADRP Nc1ccc(C[N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236551323 778875873 /nfs/dbraw/zinc/87/58/73/778875873.db2.gz OKBOYWLHQXCKTM-SHTZXODSSA-N 2 0 291.414 2.890 20 0 CFADRP CC(C)C[N@H+](C[C@@H](N)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550105 778875878 /nfs/dbraw/zinc/87/58/78/778875878.db2.gz GQTKCRTUIPHBBG-KZNAEPCWSA-N 2 0 289.467 2.914 20 0 CFADRP C[NH+](C)CC1(CN(C[C@H]2CCC[NH2+]C2)C2CC2)CCCC1 ZINC001236584451 778886113 /nfs/dbraw/zinc/88/61/13/778886113.db2.gz COHDWAFBADIDMB-INIZCTEOSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1cc(Cl)cc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC001236638065 778901457 /nfs/dbraw/zinc/90/14/57/778901457.db2.gz FZLGSGCCXOMBGA-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP c1[nH+]cn2c1cccc2CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236662616 778906509 /nfs/dbraw/zinc/90/65/09/778906509.db2.gz LHDJYJXKBMIRLL-KRWDZBQOSA-N 2 0 298.434 2.831 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236727053 778922030 /nfs/dbraw/zinc/92/20/30/778922030.db2.gz PZQMDZJPVSJMTD-IYARVYRRSA-N 3 0 289.467 2.676 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC001236731776 778923283 /nfs/dbraw/zinc/92/32/83/778923283.db2.gz QAULFTNFAWDCGC-ZBFHGGJFSA-N 2 0 270.376 2.816 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000690741656 778925987 /nfs/dbraw/zinc/92/59/87/778925987.db2.gz OLRVLLOZILZNOZ-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP C[NH2+]CCC[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236753862 778928688 /nfs/dbraw/zinc/92/86/88/778928688.db2.gz AEPYJXPGKQQDMK-QAQDUYKDSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@H](CC[NH2+]C[C@H](O)c1cccc2ccccc21)[NH+](C)C ZINC001120583348 778929048 /nfs/dbraw/zinc/92/90/48/778929048.db2.gz VKXFPWFLRWYXJD-KDOFPFPSSA-N 2 0 286.419 2.803 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC001236817529 778951729 /nfs/dbraw/zinc/95/17/29/778951729.db2.gz CIOGSGYKEARNGX-CQDKDKBSSA-N 2 0 264.438 2.870 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236827874 778956680 /nfs/dbraw/zinc/95/66/80/778956680.db2.gz HEKZVKUNKORNAP-QGTPRVQTSA-N 2 0 288.435 2.951 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236827876 778956834 /nfs/dbraw/zinc/95/68/34/778956834.db2.gz HEKZVKUNKORNAP-WBAXXEDZSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@@H+](Cc1cc(F)cc(N(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC001236844268 778963550 /nfs/dbraw/zinc/96/35/50/778963550.db2.gz RKENITWGSISAAJ-AWEZNQCLSA-N 2 0 293.430 2.713 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1c[nH]c2cccc(Cl)c12 ZINC001236868547 778968571 /nfs/dbraw/zinc/96/85/71/778968571.db2.gz MPRXDJDWEMUPIF-NSHDSACASA-N 2 0 265.788 2.990 20 0 CFADRP CC(C)C[N@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236886258 778973254 /nfs/dbraw/zinc/97/32/54/778973254.db2.gz ANINLNZQHKQZRB-UHFFFAOYSA-N 2 0 275.440 2.526 20 0 CFADRP C[N@H+](CCC1CC1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236893337 778974949 /nfs/dbraw/zinc/97/49/49/778974949.db2.gz MBXWGFYBTPUDCW-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP CC[C@@H]1CC[N@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236893382 778975076 /nfs/dbraw/zinc/97/50/76/778975076.db2.gz IOILOGKPQFUCQO-MRXNPFEDSA-N 2 0 287.451 2.670 20 0 CFADRP C[NH+](C)CCN(CCC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236922247 778980974 /nfs/dbraw/zinc/98/09/74/778980974.db2.gz FMRHIDOXHMXMNS-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP CC1=C[C@H](C)[C@@H](CN(CC[NH+](C)C)C2CC[NH2+]CC2)CC1 ZINC001236911614 778981578 /nfs/dbraw/zinc/98/15/78/778981578.db2.gz FRAJRSIZHUXGFP-DLBZAZTESA-N 2 0 293.499 2.594 20 0 CFADRP C[NH+](C)CCN(CCCC1CCCCC1)C1CC[NH2+]CC1 ZINC001236912909 778981592 /nfs/dbraw/zinc/98/15/92/778981592.db2.gz YAHLWHLKVWTUFX-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]1CC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001236911751 778981776 /nfs/dbraw/zinc/98/17/76/778981776.db2.gz HNIJZLGCSRYNQA-CQSZACIVSA-N 2 0 283.419 2.976 20 0 CFADRP C[NH+](C)CCN(CCCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001236925279 778982781 /nfs/dbraw/zinc/98/27/81/778982781.db2.gz WVMQZTKSHKHDBT-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP c1ccc(CC[C@@H]2CCC[N@@H+](CCC3C[NH2+]C3)C2)cc1 ZINC001236950998 778984705 /nfs/dbraw/zinc/98/47/05/778984705.db2.gz RXCDCLWKXLLKSI-KRWDZBQOSA-N 2 0 272.436 2.941 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236950300 778984873 /nfs/dbraw/zinc/98/48/73/778984873.db2.gz LSGOCGZKNGXYLD-QGZVFWFLSA-N 2 0 260.425 2.941 20 0 CFADRP CCOC(=O)CCC[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC001237078891 779007272 /nfs/dbraw/zinc/00/72/72/779007272.db2.gz WDNOQYZLEPHXDJ-UHFFFAOYSA-N 2 0 292.423 2.571 20 0 CFADRP COc1cccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1Cl ZINC001237198028 779047985 /nfs/dbraw/zinc/04/79/85/779047985.db2.gz SEEBIYBQKBUYFU-UHFFFAOYSA-N 2 0 294.826 2.876 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001237249714 779061259 /nfs/dbraw/zinc/06/12/59/779061259.db2.gz RJEXLSUIXNBPRU-HNNXBMFYSA-N 2 0 250.361 2.572 20 0 CFADRP c1ccc2c(c1)NCCC21CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC001237318704 779074831 /nfs/dbraw/zinc/07/48/31/779074831.db2.gz HRNVUDMYCQYXQC-MRXNPFEDSA-N 2 0 299.462 2.835 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC2(CC1)NCc1ccccc12 ZINC001237359022 779083430 /nfs/dbraw/zinc/08/34/30/779083430.db2.gz MAKKUFUFIYJMSD-UHFFFAOYSA-N 2 0 287.451 2.600 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnc(-c3ccccc3)o1)CC2 ZINC001237371760 779084822 /nfs/dbraw/zinc/08/48/22/779084822.db2.gz SZUCGCWAIDAPGX-UHFFFAOYSA-N 2 0 297.402 2.869 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237380742 779085986 /nfs/dbraw/zinc/08/59/86/779085986.db2.gz HIIWGSCSBMAIRC-IAGOWNOFSA-N 2 0 258.409 2.611 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237380744 779086082 /nfs/dbraw/zinc/08/60/82/779086082.db2.gz HIIWGSCSBMAIRC-SJORKVTESA-N 2 0 258.409 2.611 20 0 CFADRP Fc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384412 779089956 /nfs/dbraw/zinc/08/99/56/779089956.db2.gz WKQMULAKXRNRMX-WBVHZDCISA-N 2 0 276.399 2.832 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)cc1O ZINC001237389347 779092311 /nfs/dbraw/zinc/09/23/11/779092311.db2.gz FYZNHOMSXBAVJX-GDBMZVCRSA-N 2 0 274.408 2.583 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)s1 ZINC001237391421 779093675 /nfs/dbraw/zinc/09/36/75/779093675.db2.gz KZICSXAGCGVKCT-ZFWWWQNUSA-N 2 0 264.438 2.939 20 0 CFADRP c1cc2ccncc2c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237401286 779096257 /nfs/dbraw/zinc/09/62/57/779096257.db2.gz CQVIJERCSLADJP-FUHWJXTLSA-N 2 0 281.403 2.809 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC001237400874 779096337 /nfs/dbraw/zinc/09/63/37/779096337.db2.gz AXUKITOLXXJYRY-MAUKXSAKSA-N 2 0 288.435 2.886 20 0 CFADRP Cc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(C)c1O ZINC001237405496 779098831 /nfs/dbraw/zinc/09/88/31/779098831.db2.gz QVWRHIDGERIVNP-HZPDHXFCSA-N 2 0 274.408 2.583 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(N2CCCC2)c1 ZINC001237419315 779105635 /nfs/dbraw/zinc/10/56/35/779105635.db2.gz ZSUQNSOYODWVQN-HKUYNNGSSA-N 2 0 299.462 2.861 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC001237631817 779150759 /nfs/dbraw/zinc/15/07/59/779150759.db2.gz ZZHSULIOCUUSKO-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1C ZINC001205093680 779162481 /nfs/dbraw/zinc/16/24/81/779162481.db2.gz DSMWJJFIRWNJKY-OAHLLOKOSA-N 2 0 262.397 2.625 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)ccc4C3)C[C@@H]2C1 ZINC001168448377 779171662 /nfs/dbraw/zinc/17/16/62/779171662.db2.gz LDFKGHUQIISOAF-SOLBZPMBSA-N 2 0 288.410 2.567 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](CCCc2ccc(F)cc2)CC1 ZINC001205095492 779177785 /nfs/dbraw/zinc/17/77/85/779177785.db2.gz YFPCMEDKIYWHGF-HNNXBMFYSA-N 2 0 250.361 2.572 20 0 CFADRP C[NH2+][C@@]12CC[C@@]([NH2+]CCc3ccc(O)cc3)(C1)CCC2 ZINC001278159957 779201342 /nfs/dbraw/zinc/20/13/42/779201342.db2.gz DGMLUCPCONIMNA-DLBZAZTESA-N 2 0 274.408 2.589 20 0 CFADRP CC(C)N(CC[NH2+]C1CCC([NH+](C)C)CC1)C(C)C ZINC000715195709 779224799 /nfs/dbraw/zinc/22/47/99/779224799.db2.gz RNGBNXQBEMEDPA-UHFFFAOYSA-N 2 0 269.477 2.568 20 0 CFADRP CC(C)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000699263682 779229419 /nfs/dbraw/zinc/22/94/19/779229419.db2.gz MSBOOSQXOIKLBJ-VHRNVKJDSA-N 2 0 250.430 2.885 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000699289411 779237487 /nfs/dbraw/zinc/23/74/87/779237487.db2.gz AMEQRYNRRVNYIM-UCMJJCQDSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000699363079 779248733 /nfs/dbraw/zinc/24/87/33/779248733.db2.gz QOVUFCSCBUWJIB-BZUAXINKSA-N 2 0 274.408 2.670 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2CCCC3)CC1 ZINC001205116605 779257487 /nfs/dbraw/zinc/25/74/87/779257487.db2.gz DRWZQVWWHJUIQJ-INIZCTEOSA-N 2 0 258.409 2.879 20 0 CFADRP COc1cc(C)c(C)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124026 779270579 /nfs/dbraw/zinc/27/05/79/779270579.db2.gz IZIQMYBFGFLWNU-HNNXBMFYSA-N 2 0 262.397 2.625 20 0 CFADRP FCCCC[N@@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001278205511 779285805 /nfs/dbraw/zinc/28/58/05/779285805.db2.gz OXZZHCSRZWYIKE-QGZVFWFLSA-N 2 0 298.446 2.846 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000699719486 779345387 /nfs/dbraw/zinc/34/53/87/779345387.db2.gz IYUALFQGXFUUKZ-QWRGUYRKSA-N 2 0 260.372 2.917 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715268753 779377902 /nfs/dbraw/zinc/37/79/02/779377902.db2.gz GPWLKGPMXHEKNB-GVDBMIGSSA-N 3 0 283.504 2.959 20 0 CFADRP COc1cc(C)c(C)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001238758117 779382482 /nfs/dbraw/zinc/38/24/82/779382482.db2.gz PHOFFMSKYKFOSD-WBVHZDCISA-N 2 0 288.435 2.696 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1CC ZINC001235925198 779408338 /nfs/dbraw/zinc/40/83/38/779408338.db2.gz KZXIMJUIZKCTFL-INIZCTEOSA-N 2 0 276.424 2.961 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1(C)C ZINC001235928881 779409865 /nfs/dbraw/zinc/40/98/65/779409865.db2.gz DVKSYHOOPMTAQP-OWCLPIDISA-N 2 0 262.441 2.910 20 0 CFADRP COCC[N@H+](C[C@H]1CCC(C)=C[C@H]1C)C1CC[NH2+]CC1 ZINC001235945322 779413542 /nfs/dbraw/zinc/41/35/42/779413542.db2.gz FKRMIXWHINJVRM-HZPDHXFCSA-N 2 0 280.456 2.679 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCCCCCCCC(=O)OC)C1 ZINC001236069000 779456769 /nfs/dbraw/zinc/45/67/69/779456769.db2.gz ZZMOFYOPQPIFFI-INIZCTEOSA-N 2 0 298.471 2.822 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC1(F)CC[NH2+]CC1 ZINC001236072244 779457839 /nfs/dbraw/zinc/45/78/39/779457839.db2.gz QCCQYXHKGDDFOH-CYBMUJFWSA-N 2 0 262.372 2.525 20 0 CFADRP Clc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236313973 779536221 /nfs/dbraw/zinc/53/62/21/779536221.db2.gz COBBHZPGBIILEW-BETUJISGSA-N 2 0 264.800 2.771 20 0 CFADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC001212337745 779619210 /nfs/dbraw/zinc/61/92/10/779619210.db2.gz CJECWOPAZVBIED-AWEZNQCLSA-N 2 0 294.786 2.693 20 0 CFADRP CCc1ccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)cc1 ZINC001212339364 779619807 /nfs/dbraw/zinc/61/98/07/779619807.db2.gz YWVHLOWSHAQJCP-INIZCTEOSA-N 2 0 288.395 2.602 20 0 CFADRP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001236833658 779645015 /nfs/dbraw/zinc/64/50/15/779645015.db2.gz ZMUFBQRPSGBQJG-NJZAAPMLSA-N 2 0 264.800 2.818 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237381890 779682516 /nfs/dbraw/zinc/68/25/16/779682516.db2.gz KMPBZIAEGZXPRA-QWHCGFSZSA-N 2 0 250.411 2.630 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cnc(C3CC3)s1)CC2 ZINC001237792500 779718106 /nfs/dbraw/zinc/71/81/06/779718106.db2.gz ZWWCXTOEFAHQMS-UHFFFAOYSA-N 2 0 277.437 2.548 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001239798736 779781111 /nfs/dbraw/zinc/78/11/11/779781111.db2.gz UPRSJDVTKARAOP-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP Cc1ccncc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001239976090 779892955 /nfs/dbraw/zinc/89/29/55/779892955.db2.gz KGHMVVCPXSGWNU-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715514186 780009346 /nfs/dbraw/zinc/00/93/46/780009346.db2.gz UKSJUQPCAASGTJ-MGPQQGTHSA-N 2 0 250.386 2.673 20 0 CFADRP C[C@@H]([NH3+])c1cccc(-c2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001240247851 780027988 /nfs/dbraw/zinc/02/79/88/780027988.db2.gz PIIQZZBDEHUKSL-OAHLLOKOSA-N 2 0 295.430 2.779 20 0 CFADRP C[C@H]([NH3+])c1ccccc1-c1cccc(CN2CC[NH2+]CC2)c1 ZINC001240247871 780028208 /nfs/dbraw/zinc/02/82/08/780028208.db2.gz PPPXTSKWXWOYQK-HNNXBMFYSA-N 2 0 295.430 2.779 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc(C)c1Cl ZINC001205248953 780038080 /nfs/dbraw/zinc/03/80/80/780038080.db2.gz UONZDGIABHUORL-INIZCTEOSA-N 2 0 296.842 2.633 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2cccs2)CC1 ZINC000715582020 780173157 /nfs/dbraw/zinc/17/31/57/780173157.db2.gz WFVWOXVYTATSEC-UHFFFAOYSA-N 2 0 252.427 2.753 20 0 CFADRP Cc1cc(F)cc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001240594277 780277532 /nfs/dbraw/zinc/27/75/32/780277532.db2.gz OKYWEZKGGJCAAS-UHFFFAOYSA-N 2 0 271.339 2.606 20 0 CFADRP C[NH+](C)CCc1c[nH]c2ccc(C3=CCC[NH2+]C3)cc12 ZINC001240679744 780353121 /nfs/dbraw/zinc/35/31/21/780353121.db2.gz ISQCTJZEILYVCQ-UHFFFAOYSA-N 2 0 269.392 2.649 20 0 CFADRP Cc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)ccn1 ZINC001240717985 780387618 /nfs/dbraw/zinc/38/76/18/780387618.db2.gz AXTISPUJYZKRJS-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3cc4[nH]ccc4c[nH+]3)cc2)CC1 ZINC001240848215 780474291 /nfs/dbraw/zinc/47/42/91/780474291.db2.gz BMTIHDOGOBCGJD-UHFFFAOYSA-N 2 0 292.386 2.982 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3[nH+]ccc4[nH]ccc43)cc2)CC1 ZINC001240849215 780475997 /nfs/dbraw/zinc/47/59/97/780475997.db2.gz MPFSGKNDZSDXCZ-UHFFFAOYSA-N 2 0 292.386 2.982 20 0 CFADRP C[NH+](C)CCCCNc1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC001161735715 780494688 /nfs/dbraw/zinc/49/46/88/780494688.db2.gz BJYNPGSHSFHKMK-INIZCTEOSA-N 2 0 275.440 2.859 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(NCC(F)F)cc2)CC1 ZINC001161817552 780547184 /nfs/dbraw/zinc/54/71/84/780547184.db2.gz RALCKZUQYBVZTM-UHFFFAOYSA-N 2 0 283.366 2.534 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3Cc4cccc(Cl)c4C3)C[C@@H]2C1 ZINC001168729194 780553279 /nfs/dbraw/zinc/55/32/79/780553279.db2.gz WWANBMDXEKYXRK-ILXRZTDVSA-N 2 0 290.838 2.691 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN([C@@H]3Cc4cccc(Cl)c4C3)C2)C1 ZINC001168739885 780588114 /nfs/dbraw/zinc/58/81/14/780588114.db2.gz RHAIPRDZQCKBFF-RHSMWYFYSA-N 2 0 290.838 2.835 20 0 CFADRP Nc1cc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)ccn1 ZINC001241170386 780680020 /nfs/dbraw/zinc/68/00/20/780680020.db2.gz LRHPAQHJGNTZQM-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP C[NH+]1CCc2c(F)cc(C3=CC[N@H+](C)CC3)cc2C1 ZINC001241331824 780786604 /nfs/dbraw/zinc/78/66/04/780786604.db2.gz FIQFKDUMJKACLL-UHFFFAOYSA-N 2 0 260.356 2.533 20 0 CFADRP CC[NH+](CC)Cc1cncc(C2=CCC[N@H+](C)C2)c1 ZINC001241571209 780987705 /nfs/dbraw/zinc/98/77/05/780987705.db2.gz VPIRPRXXDDARNL-UHFFFAOYSA-N 2 0 259.397 2.642 20 0 CFADRP C[N@@H+](Cc1csc(Br)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000703487086 781017627 /nfs/dbraw/zinc/01/76/27/781017627.db2.gz JBMUYKGWYNLJKK-WAAGHKOSSA-N 2 0 289.242 2.680 20 0 CFADRP C[NH+]1CCC(c2cccc(-c3cnn(C4C[NH2+]C4)c3)c2)CC1 ZINC001241619676 781022575 /nfs/dbraw/zinc/02/25/75/781022575.db2.gz BNTLYBFUPIQQSS-UHFFFAOYSA-N 2 0 296.418 2.504 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000703871083 781071839 /nfs/dbraw/zinc/07/18/39/781071839.db2.gz ARKHNIOXQYWVPC-HNNXBMFYSA-N 2 0 279.815 2.699 20 0 CFADRP CC(C)C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703885232 781074713 /nfs/dbraw/zinc/07/47/13/781074713.db2.gz LLYLZHPPFUMNFQ-HNSVSWJLSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Cl)cn1 ZINC000703939249 781082028 /nfs/dbraw/zinc/08/20/28/781082028.db2.gz IMFHDDIUNIJNJJ-UHFFFAOYSA-N 2 0 269.820 2.945 20 0 CFADRP COC(=O)C1(C)CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC001168759509 781094117 /nfs/dbraw/zinc/09/41/17/781094117.db2.gz VYRIUSVSRAFVRU-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc(F)cn2)CC1 ZINC001241809187 781138137 /nfs/dbraw/zinc/13/81/37/781138137.db2.gz DAPDMWJTWOCFRB-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP [NH3+]Cc1ccc(-c2ncccc2C[NH+]2CCCC2)cc1 ZINC001241912600 781177477 /nfs/dbraw/zinc/17/74/77/781177477.db2.gz HQRVGOROPSFACW-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP C[NH+](C)CCOc1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242025539 781239585 /nfs/dbraw/zinc/23/95/85/781239585.db2.gz CXIDMOJTTOKZST-CVEARBPZSA-N 2 0 272.392 2.535 20 0 CFADRP C[C@@H](c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)N1CC[NH2+]CC1 ZINC001242028053 781241025 /nfs/dbraw/zinc/24/10/25/781241025.db2.gz YXWXHZZCHXLJQQ-KYNGSXCRSA-N 2 0 297.446 2.561 20 0 CFADRP C[NH+](C)/C=C/c1ccncc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242027486 781241130 /nfs/dbraw/zinc/24/11/30/781241130.db2.gz CHAZHVNMIPPWHP-OSZGCLPASA-N 2 0 255.365 2.522 20 0 CFADRP CS[C@H]1CCCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000707286466 781243702 /nfs/dbraw/zinc/24/37/02/781243702.db2.gz YLUJYWPHWUXCCV-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+]Cc1cccc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC001242117996 781289242 /nfs/dbraw/zinc/28/92/42/781289242.db2.gz QKHDSGSHLDALIX-UHFFFAOYSA-N 2 0 267.376 2.803 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709732285 781304078 /nfs/dbraw/zinc/30/40/78/781304078.db2.gz KSURZONJNKRCHB-GXTWGEPZSA-N 2 0 268.445 2.639 20 0 CFADRP CSCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709321442 781309226 /nfs/dbraw/zinc/30/92/26/781309226.db2.gz YYCGRMMJJMDCAM-PBWFPOADSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCC(F)(F)CC1)[NH2+]2 ZINC000709353688 781309862 /nfs/dbraw/zinc/30/98/62/781309862.db2.gz OJSCDNLUDUHMAH-GWNIPJSYSA-N 2 0 258.356 2.683 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000710262735 781331259 /nfs/dbraw/zinc/33/12/59/781331259.db2.gz RJDUKBOZMCNNOE-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)COc1ccccc1)C1CC[NH+](C)CC1 ZINC000711091973 781357725 /nfs/dbraw/zinc/35/77/25/781357725.db2.gz JLLJTEJLONRNNW-LSDHHAIUSA-N 2 0 276.424 2.774 20 0 CFADRP FC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000711441523 781433645 /nfs/dbraw/zinc/43/36/45/781433645.db2.gz GTRAWYXZHAOAHE-AWEZNQCLSA-N 2 0 262.372 2.514 20 0 CFADRP c1cc2ccncc2c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001242371255 781441664 /nfs/dbraw/zinc/44/16/64/781441664.db2.gz UBXJIYSBSYVHDE-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP Cc1ccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000699292556 781519036 /nfs/dbraw/zinc/51/90/36/781519036.db2.gz WQUZATAHHMJWKQ-ALOPSCKCSA-N 2 0 258.409 2.957 20 0 CFADRP C[NH+](C)Cc1c[nH]c2ncc(-c3ccc4c(c3)C[NH2+]C4)cc12 ZINC001242676067 781691638 /nfs/dbraw/zinc/69/16/38/781691638.db2.gz NJOFTCPLSLMDJL-UHFFFAOYSA-N 2 0 292.386 2.895 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC3(Cl)Cl)C[C@H]2C1 ZINC001119988090 781884129 /nfs/dbraw/zinc/88/41/29/781884129.db2.gz FLFZJQKOXYZWFM-FVCCEPFGSA-N 2 0 291.266 2.842 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC001242990963 781902653 /nfs/dbraw/zinc/90/26/53/781902653.db2.gz VLFZNLIHOOIMLE-MRXNPFEDSA-N 2 0 267.376 2.893 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc(CN3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001242993867 781907928 /nfs/dbraw/zinc/90/79/28/781907928.db2.gz KKVMWSLLQLYYQQ-IBGZPJMESA-N 2 0 295.430 2.606 20 0 CFADRP C[NH2+]Cc1cccc(-c2cc(C[NH+](C)C)ccn2)c1 ZINC001242996174 781910551 /nfs/dbraw/zinc/91/05/51/781910551.db2.gz JDXFWRMLMFGUCU-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(CN3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242998333 781913359 /nfs/dbraw/zinc/91/33/59/781913359.db2.gz PMQRKWKMUBATMV-IBGZPJMESA-N 2 0 295.430 2.606 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1cccc(F)c1 ZINC000124483810 187139341 /nfs/dbraw/zinc/13/93/41/187139341.db2.gz RFWUHHVRQDYWJY-NFAWXSAZSA-N 2 0 280.387 2.665 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2n1 ZINC000124807737 187154540 /nfs/dbraw/zinc/15/45/40/187154540.db2.gz OULAVMCUDGRQNQ-DZGCQCFKSA-N 2 0 299.418 2.816 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000595008111 349546245 /nfs/dbraw/zinc/54/62/45/349546245.db2.gz AADUUYSGOAKYFI-RRFJBIMHSA-N 2 0 296.455 2.571 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000595008112 349546582 /nfs/dbraw/zinc/54/65/82/349546582.db2.gz AADUUYSGOAKYFI-SOUVJXGZSA-N 2 0 296.455 2.571 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595013848 349550132 /nfs/dbraw/zinc/55/01/32/349550132.db2.gz UBWXTUCZZWDRMT-CQSZACIVSA-N 2 0 298.471 2.676 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595003788 349544302 /nfs/dbraw/zinc/54/43/02/349544302.db2.gz KCLDTHXYTADQFV-AWEZNQCLSA-N 2 0 298.471 2.818 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CSCCF)CC1 ZINC000595006217 349545272 /nfs/dbraw/zinc/54/52/72/349545272.db2.gz HFKWAWKTYCCGMK-CYBMUJFWSA-N 2 0 276.465 2.788 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000595042132 349560907 /nfs/dbraw/zinc/56/09/07/349560907.db2.gz JMIOUFXWPWIQSD-ZDUSSCGKSA-N 2 0 276.465 2.789 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125276164 187177482 /nfs/dbraw/zinc/17/74/82/187177482.db2.gz MKCABZXNASNBMR-IMJJTQAJSA-N 2 0 274.408 2.563 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125297152 187178273 /nfs/dbraw/zinc/17/82/73/187178273.db2.gz MOLNSKOGDNPCJS-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP CSCC1(CC[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000595072605 349574040 /nfs/dbraw/zinc/57/40/40/349574040.db2.gz IABUCPKZPOPWLW-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C1CCC(F)(F)CC1 ZINC000423387049 290020163 /nfs/dbraw/zinc/02/01/63/290020163.db2.gz SHVRNCDPNOBXRE-NTZNESFSSA-N 2 0 260.372 2.931 20 0 CFADRP Cn1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000125556295 187190655 /nfs/dbraw/zinc/19/06/55/187190655.db2.gz NBVAQIWTXBVCFE-SFHVURJKSA-N 2 0 283.419 2.779 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000125758291 187199252 /nfs/dbraw/zinc/19/92/52/187199252.db2.gz ZQTPDVFBLFATLM-PBHICJAKSA-N 2 0 276.424 2.857 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000401028004 290024999 /nfs/dbraw/zinc/02/49/99/290024999.db2.gz OKVSPPHAROLMQE-DRPJVOAASA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000070169661 346906599 /nfs/dbraw/zinc/90/65/99/346906599.db2.gz HZEQBHADXMUPIX-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP [NH3+]CCC1CC[NH+](CCSc2ccccc2)CC1 ZINC000070188216 346908023 /nfs/dbraw/zinc/90/80/23/346908023.db2.gz BVMLCFMIIQBTCW-UHFFFAOYSA-N 2 0 264.438 2.840 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000070360470 346909932 /nfs/dbraw/zinc/90/99/32/346909932.db2.gz UIJYKMRFFMWNIJ-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H]1C ZINC000414156697 529593444 /nfs/dbraw/zinc/59/34/44/529593444.db2.gz VITOIQXELXFNEK-RCBQFDQVSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@@H]1C[C@H]1C ZINC000414063005 529585297 /nfs/dbraw/zinc/58/52/97/529585297.db2.gz CHDSNANAUPTEMS-BMFZPTHFSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H]([NH2+]CC[C@H](C)[NH3+])c1cc(C)ccc1OC ZINC000423226559 529605705 /nfs/dbraw/zinc/60/57/05/529605705.db2.gz RECABAMBFVHOHM-JSGCOSHPSA-N 2 0 250.386 2.782 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)[C@H]1CC1(C)C ZINC000414055753 529595969 /nfs/dbraw/zinc/59/59/69/529595969.db2.gz CYJVYPFOURBJMH-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]([NH2+]CCCc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422944700 529600061 /nfs/dbraw/zinc/60/00/61/529600061.db2.gz LZHBTUWKOYRLMX-IRXDYDNUSA-N 2 0 276.424 2.748 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423211699 529621131 /nfs/dbraw/zinc/62/11/31/529621131.db2.gz LERKGSXSGQOSES-ZFWWWQNUSA-N 2 0 292.423 2.744 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422920749 529621211 /nfs/dbraw/zinc/62/12/11/529621211.db2.gz NOKOIQXCVXQARM-UGUYLWEFSA-N 2 0 268.445 2.558 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422910495 529615611 /nfs/dbraw/zinc/61/56/11/529615611.db2.gz QSTUDHJRXXMJIS-XIRDDKMYSA-N 2 0 258.409 2.837 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccccc1OC ZINC000423279052 529617503 /nfs/dbraw/zinc/61/75/03/529617503.db2.gz RSNNUYDWIKADRO-OCCSQVGLSA-N 2 0 250.386 2.591 20 0 CFADRP CC[C@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422798960 529659114 /nfs/dbraw/zinc/65/91/14/529659114.db2.gz UKWYOOXYDKGZEW-FGTMMUONSA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000423492963 529660606 /nfs/dbraw/zinc/66/06/06/529660606.db2.gz PDFAPGDWWJWOLF-XPKDYRNWSA-N 2 0 262.397 2.863 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000423497125 529672307 /nfs/dbraw/zinc/67/23/07/529672307.db2.gz YFVBVFVUFYJKPB-QEJZJMRPSA-N 2 0 292.423 2.872 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000422940834 529681238 /nfs/dbraw/zinc/68/12/38/529681238.db2.gz JHLYZNMNHTWVJJ-YMAMQOFZSA-N 2 0 290.407 2.768 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+]C1CCC(C[NH3+])CC1)OC ZINC000422999382 282234438 /nfs/dbraw/zinc/23/44/38/282234438.db2.gz SLRJSCRTRAFBFL-AVVWSFFYSA-N 2 0 270.461 2.935 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423047366 282244632 /nfs/dbraw/zinc/24/46/32/282244632.db2.gz VBNOALJNEFOLDP-HNKHHVNMSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](CN[C@@H](c1ncc[nH]1)c1ccccc1)[N@H+](C)C1CC1 ZINC000126732095 187259214 /nfs/dbraw/zinc/25/92/14/187259214.db2.gz UDLCBMVBRIIZDH-CZUORRHYSA-N 2 0 284.407 2.571 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)o1 ZINC000423327639 529706005 /nfs/dbraw/zinc/70/60/05/529706005.db2.gz LMLIUBGLAHJCKC-GFCCVEGCSA-N 2 0 250.386 2.882 20 0 CFADRP CC[N@H+](CCCF)CC1CCN(c2ccccn2)CC1 ZINC000151165826 136393556 /nfs/dbraw/zinc/39/35/56/136393556.db2.gz LJRXYGKLVIWRCH-UHFFFAOYSA-N 2 0 279.403 2.980 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])OC ZINC000422998557 282273172 /nfs/dbraw/zinc/27/31/72/282273172.db2.gz QSGIVVKGCYSTQI-JYJNAYRXSA-N 2 0 270.461 2.935 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000423219120 529721882 /nfs/dbraw/zinc/72/18/82/529721882.db2.gz WEPBIMOOLQDSHX-RYUDHWBXSA-N 2 0 252.427 2.961 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)s1 ZINC000423266092 529728847 /nfs/dbraw/zinc/72/88/47/529728847.db2.gz CSWYNROCMJVQRV-NXEZZACHSA-N 2 0 255.431 2.520 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000422906406 529735031 /nfs/dbraw/zinc/73/50/31/529735031.db2.gz VAUWKTKUAULBIJ-RBSFLKMASA-N 2 0 293.480 2.758 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414788827 529736096 /nfs/dbraw/zinc/73/60/96/529736096.db2.gz XJDHFZLUKSFQTC-STQMWFEESA-N 2 0 279.453 2.527 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423341147 529747864 /nfs/dbraw/zinc/74/78/64/529747864.db2.gz JZLPVVJBCIGABG-GFCCVEGCSA-N 2 0 277.437 2.592 20 0 CFADRP CCc1nc2cc(C[NH2+][C@@H](C)C3C[NH2+]C3)ccc2n1C1CC1 ZINC000423107852 529747917 /nfs/dbraw/zinc/74/79/17/529747917.db2.gz FLMAMAPSAZICFY-LBPRGKRZSA-N 2 0 298.434 2.631 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000295032774 199311394 /nfs/dbraw/zinc/31/13/94/199311394.db2.gz OBDNBXGHSOOZPI-CVEARBPZSA-N 2 0 273.424 2.539 20 0 CFADRP CCc1ncc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cn1 ZINC000414366929 529753072 /nfs/dbraw/zinc/75/30/72/529753072.db2.gz CZBKTOXSRKOJNE-UHFFFAOYSA-N 2 0 290.455 2.593 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127941901 187342873 /nfs/dbraw/zinc/34/28/73/187342873.db2.gz KAKGGLASGUKYFG-DJIMGWMZSA-N 2 0 288.435 2.930 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422721149 529791896 /nfs/dbraw/zinc/79/18/96/529791896.db2.gz USTUFIMMUKFTQL-HOTGVXAUSA-N 2 0 261.413 2.502 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789217 529794654 /nfs/dbraw/zinc/79/46/54/529794654.db2.gz YAWZAHANTMUAHT-CVEARBPZSA-N 2 0 287.451 2.574 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@H]2CCC[C@H]21 ZINC000414336959 529806382 /nfs/dbraw/zinc/80/63/82/529806382.db2.gz PKQDNVOXQCJBRR-IXDOHACOSA-N 2 0 287.451 2.822 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccc(F)cc1 ZINC000128034328 187347783 /nfs/dbraw/zinc/34/77/83/187347783.db2.gz OFUOWXZXHHDHCU-OEUWWYETSA-N 2 0 294.414 2.911 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348089313 539367583 /nfs/dbraw/zinc/36/75/83/539367583.db2.gz USIGHKDZLWSIKX-HOTGVXAUSA-N 2 0 250.430 2.885 20 0 CFADRP CN(CCC[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1F ZINC000422719840 529891617 /nfs/dbraw/zinc/89/16/17/529891617.db2.gz RQCFTZJOHMMWKI-UHFFFAOYSA-N 2 0 293.430 2.759 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000420316684 529932278 /nfs/dbraw/zinc/93/22/78/529932278.db2.gz MDMXILLTIXMVBV-AEFFLSMTSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000120464434 539385096 /nfs/dbraw/zinc/38/50/96/539385096.db2.gz MKPAADHYQOVFER-RHSMWYFYSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423184387 529971436 /nfs/dbraw/zinc/97/14/36/529971436.db2.gz HTLNKDGQLKUQRC-JTQLQIEISA-N 2 0 260.303 2.966 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000562956080 290085177 /nfs/dbraw/zinc/08/51/77/290085177.db2.gz CSCPLYICVGXVSB-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP C[NH2+]CCc1ccccc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000422551812 529979322 /nfs/dbraw/zinc/97/93/22/529979322.db2.gz OSMGCOYGPDYKID-CQSZACIVSA-N 2 0 288.395 2.544 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000414849733 529985269 /nfs/dbraw/zinc/98/52/69/529985269.db2.gz YLAGYAIKLDQSBZ-SNVBAGLBSA-N 2 0 260.303 2.651 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414847864 529985354 /nfs/dbraw/zinc/98/53/54/529985354.db2.gz WHABJWRJXADLHJ-SNVBAGLBSA-N 2 0 263.410 2.550 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000414831674 529985379 /nfs/dbraw/zinc/98/53/79/529985379.db2.gz DIVDKGSUQWGNKA-SNVBAGLBSA-N 2 0 285.229 2.703 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414834706 529985464 /nfs/dbraw/zinc/98/54/64/529985464.db2.gz HOPRMWKHJKQXCV-SECBINFHSA-N 2 0 261.196 2.939 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000423255966 529985844 /nfs/dbraw/zinc/98/58/44/529985844.db2.gz BCQIFUBOKQQVKE-DGCLKSJQSA-N 2 0 280.412 2.518 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423284034 529985946 /nfs/dbraw/zinc/98/59/46/529985946.db2.gz XZTDELLRLPIVSV-QMTHXVAHSA-N 2 0 297.240 2.882 20 0 CFADRP C[NH2+]C[C@H](C)CNc1c(C)c[nH+]c2c(C)cccc12 ZINC000420195548 529993885 /nfs/dbraw/zinc/99/38/85/529993885.db2.gz KHNZNAHPAAPKOF-NSHDSACASA-N 2 0 257.381 2.541 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414837511 529998609 /nfs/dbraw/zinc/99/86/09/529998609.db2.gz KGMPXGALMLEGBX-NSHDSACASA-N 2 0 277.799 2.833 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414848806 529998986 /nfs/dbraw/zinc/99/89/86/529998986.db2.gz XLWBXBDJCVYCAP-JTQLQIEISA-N 2 0 276.302 2.530 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000414843005 529998995 /nfs/dbraw/zinc/99/89/95/529998995.db2.gz PJPPWVGGHSIDFU-NSHDSACASA-N 2 0 290.329 2.573 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423256419 529999483 /nfs/dbraw/zinc/99/94/83/529999483.db2.gz BXHREAHHCYSRFO-SQWLQELKSA-N 2 0 261.413 2.553 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423256017 529999735 /nfs/dbraw/zinc/99/97/35/529999735.db2.gz BGLZGYOCYJZVDX-WDEREUQCSA-N 2 0 263.410 2.802 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423276685 529999901 /nfs/dbraw/zinc/99/99/01/529999901.db2.gz OSRGHOBFPVZAJK-QWHCGFSZSA-N 2 0 260.381 2.809 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414832090 530000230 /nfs/dbraw/zinc/00/02/30/530000230.db2.gz DSJXUKUHHLCABF-MAZHCROVSA-N 2 0 264.388 2.907 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423256156 530000233 /nfs/dbraw/zinc/00/02/33/530000233.db2.gz BIWXDQLCFNFREQ-BHYGNILZSA-N 2 0 290.451 2.815 20 0 CFADRP C[NH2+]Cc1cccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414868936 530009578 /nfs/dbraw/zinc/00/95/78/530009578.db2.gz QJMUKDAIMCMKMW-GVDBMIGSSA-N 2 0 273.424 2.739 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000121110181 539400126 /nfs/dbraw/zinc/40/01/26/539400126.db2.gz QZWVHEYVTFYDDZ-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](CO)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000121235007 539401092 /nfs/dbraw/zinc/40/10/92/539401092.db2.gz UUZSYVZUPSWQPQ-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP COCC[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000088495032 539404994 /nfs/dbraw/zinc/40/49/94/539404994.db2.gz YICBPZSENXHSCM-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000414169805 530055151 /nfs/dbraw/zinc/05/51/51/530055151.db2.gz BNSVJMDXWSRIJW-VVLHAWIVSA-N 2 0 292.467 2.656 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348372110 539437270 /nfs/dbraw/zinc/43/72/70/539437270.db2.gz HVIPQYCSCMMJBD-XLAORIBOSA-N 2 0 292.467 2.533 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1F ZINC000563135852 290107670 /nfs/dbraw/zinc/10/76/70/290107670.db2.gz VCIFHYKIMCKKIJ-XQQFMLRXSA-N 2 0 282.403 2.728 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000154570353 232226656 /nfs/dbraw/zinc/22/66/56/232226656.db2.gz OCRNRHCZIVWHGQ-NVXWUHKLSA-N 2 0 260.425 3.000 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C1CC[NH+](C)CC1 ZINC000123102617 539484435 /nfs/dbraw/zinc/48/44/35/539484435.db2.gz FMEOUWZOAWTJFY-UONOGXRCSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccccc1 ZINC000089722580 539500223 /nfs/dbraw/zinc/50/02/23/539500223.db2.gz LXJGGRRVYZMSQU-GJZGRUSLSA-N 2 0 276.424 2.774 20 0 CFADRP CC1(C)CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123965544 539514238 /nfs/dbraw/zinc/51/42/38/539514238.db2.gz HQONKZIJKPCPEU-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP Cc1ncsc1C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000123981639 539514300 /nfs/dbraw/zinc/51/43/00/539514300.db2.gz QRKUSPGWSPAIQL-UHFFFAOYSA-N 2 0 287.432 2.729 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H](C)[C@H]1OC ZINC000422984321 282442505 /nfs/dbraw/zinc/44/25/05/282442505.db2.gz AIFBABOHDWUILK-CHQKBHSXSA-N 2 0 282.472 2.933 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000127580103 187317451 /nfs/dbraw/zinc/31/74/51/187317451.db2.gz HQSFXUWPVQVXMX-UONOGXRCSA-N 2 0 295.858 2.627 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044530154 346395137 /nfs/dbraw/zinc/39/51/37/346395137.db2.gz DFVNNWAFZYEMLI-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP CSCC1(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000596650986 349968912 /nfs/dbraw/zinc/96/89/12/349968912.db2.gz NASHRYFRTAYANZ-STQMWFEESA-N 2 0 256.459 2.640 20 0 CFADRP Cc1ccoc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000271608193 136617732 /nfs/dbraw/zinc/61/77/32/136617732.db2.gz ZMSSXBHRCLYDFZ-UHFFFAOYSA-N 2 0 285.391 2.989 20 0 CFADRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000066243329 346751303 /nfs/dbraw/zinc/75/13/03/346751303.db2.gz SNJZMDUWOZRBIN-KBPBESRZSA-N 2 0 274.412 2.743 20 0 CFADRP Cc1occc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000067218213 346795455 /nfs/dbraw/zinc/79/54/55/346795455.db2.gz YKBCMNXYAOMCTI-UHFFFAOYSA-N 2 0 288.391 2.818 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000076762833 347151853 /nfs/dbraw/zinc/15/18/53/347151853.db2.gz KVRNJPRYZKYGCL-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)on1 ZINC000076965821 347162806 /nfs/dbraw/zinc/16/28/06/347162806.db2.gz NFPVZAPUNMGJRH-UHFFFAOYSA-N 2 0 277.412 2.763 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1F ZINC000400961785 232678336 /nfs/dbraw/zinc/67/83/36/232678336.db2.gz BXPTWMBIQHBIIX-REWJHTLYSA-N 2 0 262.372 2.864 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCN(C)c2ccccc2)CC1 ZINC000085790774 347483295 /nfs/dbraw/zinc/48/32/95/347483295.db2.gz XAPOFRUTFXQBJQ-UHFFFAOYSA-N 2 0 289.467 2.927 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000090585340 347552642 /nfs/dbraw/zinc/55/26/42/347552642.db2.gz GAYZWIQNFMCASU-KZNAEPCWSA-N 2 0 293.499 2.571 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)C(C)C)C1 ZINC000091287736 347581265 /nfs/dbraw/zinc/58/12/65/347581265.db2.gz BTKHAOZEOIPMLE-GOEBONIOSA-N 2 0 261.413 2.710 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746215 347643667 /nfs/dbraw/zinc/64/36/67/347643667.db2.gz MWNHVJAFKHTSHJ-ZDUSSCGKSA-N 2 0 279.403 2.993 20 0 CFADRP CC[C@H](C)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000093066999 347660703 /nfs/dbraw/zinc/66/07/03/347660703.db2.gz GETGPMJFQGDQTJ-FUHWJXTLSA-N 2 0 289.467 2.611 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C(C1CC1)C1CC1 ZINC000093461750 347675346 /nfs/dbraw/zinc/67/53/46/347675346.db2.gz NKWNNKZCSLHQQK-PVAVHDDUSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093943736 347689081 /nfs/dbraw/zinc/68/90/81/347689081.db2.gz NMAWTOIMWJJFDW-KBPBESRZSA-N 2 0 263.429 2.743 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093210489 347665380 /nfs/dbraw/zinc/66/53/80/347665380.db2.gz QHNGELTWUDXHSG-QZTJIDSGSA-N 3 0 289.467 2.888 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000110976496 347750971 /nfs/dbraw/zinc/75/09/71/347750971.db2.gz XGPPBJKZEIODHQ-HNNXBMFYSA-N 2 0 264.388 2.954 20 0 CFADRP C[NH2+]C[C@@H]1CCCN1CCCOc1ccc(Cl)cc1 ZINC000123619649 347820505 /nfs/dbraw/zinc/82/05/05/347820505.db2.gz KLCKQNAFTROAMD-AWEZNQCLSA-N 2 0 282.815 2.793 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000128625899 187380953 /nfs/dbraw/zinc/38/09/53/187380953.db2.gz SVSZFZMACPCWCN-INIZCTEOSA-N 2 0 262.372 2.889 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000116387092 347786996 /nfs/dbraw/zinc/78/69/96/347786996.db2.gz ZRWCXVNCMYUCPK-IRXDYDNUSA-N 2 0 260.425 2.939 20 0 CFADRP C1=C(C[NH2+]CCCCC[NH+]2CCCCC2)COCC1 ZINC000127258938 347840441 /nfs/dbraw/zinc/84/04/41/347840441.db2.gz JNSDIGMCAMXWMI-UHFFFAOYSA-N 2 0 266.429 2.579 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1=CCCOC1 ZINC000126514082 347835480 /nfs/dbraw/zinc/83/54/80/347835480.db2.gz BFDBSVOVFSROHK-HNNXBMFYSA-N 2 0 266.429 2.577 20 0 CFADRP CCc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000225382080 348176696 /nfs/dbraw/zinc/17/66/96/348176696.db2.gz JVXHXIQGOUTQQC-AWEZNQCLSA-N 2 0 252.427 2.790 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000234262864 348220044 /nfs/dbraw/zinc/22/00/44/348220044.db2.gz WIDRMFNYDSTOCC-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)s2)C1 ZINC000226346064 348182687 /nfs/dbraw/zinc/18/26/87/348182687.db2.gz MYKREXBSVDUNPZ-VHSXEESVSA-N 2 0 258.818 2.804 20 0 CFADRP CCOC(=O)CC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245579404 348255757 /nfs/dbraw/zinc/25/57/57/348255757.db2.gz IJXBUQAKZNRIQD-JKSUJKDBSA-N 2 0 296.455 2.526 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)C1 ZINC000245902997 348258746 /nfs/dbraw/zinc/25/87/46/348258746.db2.gz OEWLKSPJPPUCEK-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246823623 348266774 /nfs/dbraw/zinc/26/67/74/348266774.db2.gz BHJLERGFCSBLTI-MDMSPXHWSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251109552 348290800 /nfs/dbraw/zinc/29/08/00/348290800.db2.gz OUDWXVDBDAPBTI-VNHYZAJKSA-N 2 0 250.386 2.708 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000304578472 348380245 /nfs/dbraw/zinc/38/02/45/348380245.db2.gz QGDKJARJYNKICI-UHFFFAOYSA-N 2 0 258.818 2.962 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000677242329 539622693 /nfs/dbraw/zinc/62/26/93/539622693.db2.gz XTTZIQRWMAKRGQ-CABCVRRESA-N 2 0 280.362 2.724 20 0 CFADRP C[C@@H]([NH2+]CCCOC1CCCC1)C1CC[NH+](C)CC1 ZINC000125340008 539636119 /nfs/dbraw/zinc/63/61/19/539636119.db2.gz WZHCTOWKQLQNOQ-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccsc1Br ZINC000388879926 348539039 /nfs/dbraw/zinc/53/90/39/348539039.db2.gz HKALJALIRHLCFE-UHFFFAOYSA-N 2 0 291.258 2.942 20 0 CFADRP FC1(F)CC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000381008218 348526328 /nfs/dbraw/zinc/52/63/28/348526328.db2.gz WLYSVXTUAHTOQK-OCCSQVGLSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000403313773 348583826 /nfs/dbraw/zinc/58/38/26/348583826.db2.gz BUJZMCITVJBGGE-XNISGKROSA-N 2 0 250.430 2.743 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000400919143 348575865 /nfs/dbraw/zinc/57/58/65/348575865.db2.gz DZPWUGJUAPEVKF-GZBLMMOJSA-N 2 0 268.470 2.638 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401025264 348576401 /nfs/dbraw/zinc/57/64/01/348576401.db2.gz NFWAFJJHKFEXMH-BARDWOONSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000230678384 539659152 /nfs/dbraw/zinc/65/91/52/539659152.db2.gz PTDFJGWMUYKLHD-VXGBXAGGSA-N 2 0 267.442 2.567 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000584829909 348720012 /nfs/dbraw/zinc/72/00/12/348720012.db2.gz BFFNVHMHLZWDBF-DOTOQJQBSA-N 2 0 288.435 2.702 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000584684133 348704738 /nfs/dbraw/zinc/70/47/38/348704738.db2.gz UXDVQMKSFBUFAX-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP CC1(C)[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1(F)F ZINC000668679237 539690557 /nfs/dbraw/zinc/69/05/57/539690557.db2.gz DAOYWGQLHPPOSN-AWEZNQCLSA-N 2 0 295.377 2.931 20 0 CFADRP CS[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000590656516 348922951 /nfs/dbraw/zinc/92/29/51/348922951.db2.gz CBCNSSCTIGRYFA-INIZCTEOSA-N 2 0 294.464 2.564 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000414064750 233157574 /nfs/dbraw/zinc/15/75/74/233157574.db2.gz GCTSVKLETQWELF-CABCVRRESA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000127170651 539714390 /nfs/dbraw/zinc/71/43/90/539714390.db2.gz XSMIYEGYMQKKFA-RYUDHWBXSA-N 2 0 268.401 2.587 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)ccc12 ZINC000414177158 233187752 /nfs/dbraw/zinc/18/77/52/233187752.db2.gz IALGQCGXXFCIBZ-BRWVUGGUSA-N 2 0 297.402 2.772 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)OCO2 ZINC000414200991 233194778 /nfs/dbraw/zinc/19/47/78/233194778.db2.gz XZFGSCYZGZVNRP-UONOGXRCSA-N 2 0 290.407 2.798 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000219323284 539731423 /nfs/dbraw/zinc/73/14/23/539731423.db2.gz ZHIHGOJDUJNUQQ-CQSZACIVSA-N 2 0 298.427 2.530 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668738824 539740362 /nfs/dbraw/zinc/74/03/62/539740362.db2.gz GRWVVLZNPMSNBV-JFIYKMOQSA-N 2 0 294.483 2.734 20 0 CFADRP CCOC(=O)CC[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000594055154 349366151 /nfs/dbraw/zinc/36/61/51/349366151.db2.gz WKGIWHYASJLQAW-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000668739897 539743491 /nfs/dbraw/zinc/74/34/91/539743491.db2.gz PQGHUTZVTAHPNH-LESCRADOSA-N 2 0 292.467 2.510 20 0 CFADRP Cc1occc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000414458707 233258191 /nfs/dbraw/zinc/25/81/91/233258191.db2.gz YLXCKYNQDJKNJG-UHFFFAOYSA-N 2 0 250.386 2.944 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC[NH+](C)CC1 ZINC000597131614 350035427 /nfs/dbraw/zinc/03/54/27/350035427.db2.gz CBKFODHFSNSQRB-HZSPNIEDSA-N 2 0 268.470 2.592 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000597209137 350056842 /nfs/dbraw/zinc/05/68/42/350056842.db2.gz PIQFBTCWMMLNED-VHDGCEQUSA-N 2 0 268.470 2.877 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000414502835 233274370 /nfs/dbraw/zinc/27/43/70/233274370.db2.gz VFKYDPBINWHWMY-BXUZGUMPSA-N 2 0 288.420 2.559 20 0 CFADRP Cc1csc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000080275422 539757603 /nfs/dbraw/zinc/75/76/03/539757603.db2.gz CATONLNSUBIDIO-VXGBXAGGSA-N 2 0 267.442 2.832 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414690127 233327508 /nfs/dbraw/zinc/32/75/08/233327508.db2.gz HEYUVLWNPPPACP-MCIONIFRSA-N 2 0 262.397 2.773 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)on1 ZINC000414717445 233337485 /nfs/dbraw/zinc/33/74/85/233337485.db2.gz ZLGOBUBSGDDOOH-UBHSHLNASA-N 2 0 263.385 2.508 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)CC[NH2+]1 ZINC000414742334 233341020 /nfs/dbraw/zinc/34/10/20/233341020.db2.gz LYOXTMHIOKAMEE-VYDXJSESSA-N 2 0 298.434 2.671 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000414793705 233353957 /nfs/dbraw/zinc/35/39/57/233353957.db2.gz DUGSFKBDYSXSGD-HOTGVXAUSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414797390 233354502 /nfs/dbraw/zinc/35/45/02/233354502.db2.gz IOYSXLDUDOHHMA-QAETUUGQSA-N 2 0 258.409 2.897 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000132332823 539775733 /nfs/dbraw/zinc/77/57/33/539775733.db2.gz IASGIJAFNOBNDQ-PBHICJAKSA-N 2 0 260.425 2.864 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763382 233345041 /nfs/dbraw/zinc/34/50/41/233345041.db2.gz BTFIRWIXZZLARE-NXHRZFHOSA-N 2 0 272.436 2.797 20 0 CFADRP c1ccc(COc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)nc1 ZINC000414781266 233349717 /nfs/dbraw/zinc/34/97/17/233349717.db2.gz BYTHSGXDJGPHOM-UHFFFAOYSA-N 2 0 297.402 2.502 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414782386 233349948 /nfs/dbraw/zinc/34/99/48/233349948.db2.gz OSDAMHRZULETEI-UHFFFAOYSA-N 2 0 272.314 2.855 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000414789997 233352657 /nfs/dbraw/zinc/35/26/57/233352657.db2.gz GGCBDXRGCCRDNH-CABZTGNLSA-N 2 0 256.752 2.696 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(O)c2)cc1 ZINC000414804955 233359383 /nfs/dbraw/zinc/35/93/83/233359383.db2.gz FSKHZFPLXFJMBU-LBPRGKRZSA-N 2 0 256.349 2.702 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH3+])c(Cl)c1 ZINC000414810972 233360938 /nfs/dbraw/zinc/36/09/38/233360938.db2.gz YSTGEZLWQCXALK-NSHDSACASA-N 2 0 297.830 2.692 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414813357 233362347 /nfs/dbraw/zinc/36/23/47/233362347.db2.gz YFKRXMZNEBDLMY-CMPLNLGQSA-N 2 0 288.313 2.644 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414811467 233362371 /nfs/dbraw/zinc/36/23/71/233362371.db2.gz WLAKODFEVQQGLP-IUODEOHRSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414824995 233366999 /nfs/dbraw/zinc/36/69/99/233366999.db2.gz GLNVUYHHLNFUDC-YGOACVGDSA-N 2 0 262.372 2.629 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000414831932 233370080 /nfs/dbraw/zinc/37/00/80/233370080.db2.gz QJYCDUWWEOFYBK-RYRKJORJSA-N 2 0 293.499 2.619 20 0 CFADRP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)nc1 ZINC000414830558 233370131 /nfs/dbraw/zinc/37/01/31/233370131.db2.gz OTSFBAPOMVKIJA-MRXNPFEDSA-N 2 0 281.403 2.838 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000105454133 186057655 /nfs/dbraw/zinc/05/76/55/186057655.db2.gz YRZVTUBKXQOPPR-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(F)c2)CC1 ZINC000105454957 186058115 /nfs/dbraw/zinc/05/81/15/186058115.db2.gz QZQRZCUTWHKZQK-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP Clc1cc2c(c(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c1)OCC2 ZINC000414836486 233372786 /nfs/dbraw/zinc/37/27/86/233372786.db2.gz JLBLQKJRZCBKBM-LBPRGKRZSA-N 2 0 294.826 2.754 20 0 CFADRP c1ccc([C@@H]2CCC[C@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414841678 233375048 /nfs/dbraw/zinc/37/50/48/233375048.db2.gz YMMNKINFPZYYRW-BHYGNILZSA-N 2 0 258.409 2.912 20 0 CFADRP FC(F)(F)c1cnc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000414845781 233375967 /nfs/dbraw/zinc/37/59/67/233375967.db2.gz SSZRAHYEKHYVPQ-VIFPVBQESA-N 2 0 293.358 2.641 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000414876574 233387347 /nfs/dbraw/zinc/38/73/47/233387347.db2.gz LQGPPYCDCWLZAN-JKSUJKDBSA-N 2 0 258.409 2.869 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414888526 233390287 /nfs/dbraw/zinc/39/02/87/233390287.db2.gz SEGUSJRKYOUAJR-YESZJQIVSA-N 2 0 258.409 2.739 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C1CC1 ZINC000414894849 233391844 /nfs/dbraw/zinc/39/18/44/233391844.db2.gz UQUOSIWNIOCIFY-BHYGNILZSA-N 2 0 258.409 2.725 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[NH3+])c(Cl)c1 ZINC000414900319 233392632 /nfs/dbraw/zinc/39/26/32/233392632.db2.gz HAUMLOHFDAXGFO-GFCCVEGCSA-N 2 0 297.830 2.694 20 0 CFADRP C[C@H](C[NH2+]CC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000414906497 233395137 /nfs/dbraw/zinc/39/51/37/233395137.db2.gz PXVMXYFTOWNQGY-HNNXBMFYSA-N 2 0 260.425 2.845 20 0 CFADRP FC(F)Oc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000414914274 233397524 /nfs/dbraw/zinc/39/75/24/233397524.db2.gz KIOWORLJZDACRN-LBPRGKRZSA-N 2 0 270.323 2.520 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cccc(OC(F)F)c2)CCC[NH2+]C1 ZINC000414915279 233397861 /nfs/dbraw/zinc/39/78/61/233397861.db2.gz ZOELXKXUSAXEEE-OAHLLOKOSA-N 2 0 284.350 2.767 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000414851978 233378163 /nfs/dbraw/zinc/37/81/63/233378163.db2.gz JTLKKDCLZGGXBJ-WCQYABFASA-N 2 0 284.350 2.766 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414853049 233379301 /nfs/dbraw/zinc/37/93/01/233379301.db2.gz KOJSJEQIQMOJOF-CHWSQXEVSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414857656 233380189 /nfs/dbraw/zinc/38/01/89/233380189.db2.gz PXWGUCQMCBGMCP-CHWSQXEVSA-N 2 0 250.361 2.518 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCCCCC1 ZINC000414858725 233381626 /nfs/dbraw/zinc/38/16/26/233381626.db2.gz KVQIJKKNTCRUPL-RBSFLKMASA-N 2 0 278.440 2.585 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415008518 233434643 /nfs/dbraw/zinc/43/46/43/233434643.db2.gz MSFNKYCQUDTKIK-DLBZAZTESA-N 2 0 258.409 2.781 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CC1CCOCC1 ZINC000415010462 233435861 /nfs/dbraw/zinc/43/58/61/233435861.db2.gz UXGYAMXIVGCKNH-CWRNSKLLSA-N 2 0 268.445 2.546 20 0 CFADRP CC(C)CSCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598969804 350351981 /nfs/dbraw/zinc/35/19/81/350351981.db2.gz IYTDGIMVRUMJLR-ZDUSSCGKSA-N 2 0 258.475 2.838 20 0 CFADRP COC(=O)CC1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000599047839 350364827 /nfs/dbraw/zinc/36/48/27/350364827.db2.gz CZEULGZQFYFLGP-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP COC(=O)CC1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000599049262 350365710 /nfs/dbraw/zinc/36/57/10/350365710.db2.gz OERBWZJQMWMZBM-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043273 180310568 /nfs/dbraw/zinc/31/05/68/180310568.db2.gz HHAQBRSDVFBJIB-MSOLQXFVSA-N 2 0 288.435 2.749 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415040196 233444011 /nfs/dbraw/zinc/44/40/11/233444011.db2.gz OPZOGBRWWBMOFE-BXUZGUMPSA-N 2 0 252.789 2.865 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000415027792 233441251 /nfs/dbraw/zinc/44/12/51/233441251.db2.gz WZAAIDDWKYKJQN-SHTZXODSSA-N 2 0 298.434 2.931 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C/C=C\c1ccc(F)cc1F ZINC000415027673 233441338 /nfs/dbraw/zinc/44/13/38/233441338.db2.gz XBSYHNBPOALTEH-MZBZXASESA-N 2 0 254.324 2.695 20 0 CFADRP Cn1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000415039380 233443752 /nfs/dbraw/zinc/44/37/52/233443752.db2.gz NZYLHIHCBYHAGV-CJNGLKHVSA-N 2 0 290.455 2.685 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000106868339 186144580 /nfs/dbraw/zinc/14/45/80/186144580.db2.gz HJYWTNUFJAADSJ-CHWSQXEVSA-N 2 0 250.411 2.773 20 0 CFADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600174062 350531065 /nfs/dbraw/zinc/53/10/65/350531065.db2.gz KFPJQZOXAFVRHE-CKEIUWERSA-N 2 0 296.455 2.571 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000600712669 350599973 /nfs/dbraw/zinc/59/99/73/350599973.db2.gz ZRHJDLUPJCAHTH-FXUDXRNXSA-N 2 0 296.455 2.619 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000110649708 186310083 /nfs/dbraw/zinc/31/00/83/186310083.db2.gz FUKUPZZKHRYYBN-CYBMUJFWSA-N 2 0 285.391 2.901 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110645402 186308803 /nfs/dbraw/zinc/30/88/03/186308803.db2.gz SYGNUSIACYKEHH-LBPRGKRZSA-N 2 0 250.361 2.693 20 0 CFADRP CSc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000110645171 186309273 /nfs/dbraw/zinc/30/92/73/186309273.db2.gz ZELXYJSJQJGZCX-LBPRGKRZSA-N 2 0 264.438 2.968 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000110920462 186332140 /nfs/dbraw/zinc/33/21/40/186332140.db2.gz JVSYBMPBQBVJLR-SNVBAGLBSA-N 2 0 254.324 2.524 20 0 CFADRP CCOC(=O)C(CC)(CC)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000602734137 351006354 /nfs/dbraw/zinc/00/63/54/351006354.db2.gz OFDXIVCBFWNSLT-CQSZACIVSA-N 2 0 298.471 2.818 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)OC(C)(C)C ZINC000603110018 351105886 /nfs/dbraw/zinc/10/58/86/351105886.db2.gz JQWFSUOWBHJPOC-UHFFFAOYSA-N 2 0 298.471 2.916 20 0 CFADRP CCc1cc(NC[C@H](c2ccco2)[NH+](CC)CC)ncn1 ZINC000603388444 351153779 /nfs/dbraw/zinc/15/37/79/351153779.db2.gz FUZJHGLEYUACGF-CQSZACIVSA-N 2 0 288.395 2.549 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000608055273 351390433 /nfs/dbraw/zinc/39/04/33/351390433.db2.gz RIGJOWMKYWTXIY-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)C2CC2)cc1 ZINC000608059606 351393238 /nfs/dbraw/zinc/39/32/38/351393238.db2.gz NESMRIBUSCXIOE-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H](c1ccncc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000607735061 351358455 /nfs/dbraw/zinc/35/84/55/351358455.db2.gz XEFVRHHPAAUKFZ-CQSZACIVSA-N 2 0 261.413 2.806 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538911 282983924 /nfs/dbraw/zinc/98/39/24/282983924.db2.gz HGWMOZNXQCCZIU-JBBSTSQOSA-N 2 0 292.373 2.930 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000291704707 198064696 /nfs/dbraw/zinc/06/46/96/198064696.db2.gz KNOPRPDLHISDKU-LLVKDONJSA-N 2 0 274.330 2.993 20 0 CFADRP COC(C)(C)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000122179619 187019122 /nfs/dbraw/zinc/01/91/22/187019122.db2.gz VQRASQLHKWBNJN-CQSZACIVSA-N 2 0 294.439 2.703 20 0 CFADRP COC(C)(C)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122215121 187021252 /nfs/dbraw/zinc/02/12/52/187021252.db2.gz LAGPBILUMBQSSX-CQSZACIVSA-N 2 0 294.439 2.703 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000122299603 187025237 /nfs/dbraw/zinc/02/52/37/187025237.db2.gz LVCQDZGOQOUQPA-UHFFFAOYSA-N 2 0 288.435 2.905 20 0 CFADRP CC(C)[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122304506 187025888 /nfs/dbraw/zinc/02/58/88/187025888.db2.gz CFBMJHBHPXHBGP-CQSZACIVSA-N 2 0 264.413 2.761 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cncs2)CC1 ZINC000122696725 187046505 /nfs/dbraw/zinc/04/65/05/187046505.db2.gz PAZJATWYEKSNGF-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000122827801 187054358 /nfs/dbraw/zinc/05/43/58/187054358.db2.gz MGDAGDPFCSBNOQ-AWEZNQCLSA-N 2 0 276.424 2.787 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000123938896 187115389 /nfs/dbraw/zinc/11/53/89/187115389.db2.gz FVFCIBFXXAGLNB-AWEZNQCLSA-N 2 0 286.423 2.723 20 0 CFADRP Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000291990577 198128017 /nfs/dbraw/zinc/12/80/17/198128017.db2.gz BCGPOKQWUJGZQM-HNNXBMFYSA-N 2 0 289.423 2.527 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000226345226 539858474 /nfs/dbraw/zinc/85/84/74/539858474.db2.gz LUZZMVZIBQADOW-OAHLLOKOSA-N 2 0 273.424 2.781 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000227301085 539896574 /nfs/dbraw/zinc/89/65/74/539896574.db2.gz KIVWWUVGGLYXMP-HLLBOEOZSA-N 2 0 256.393 2.890 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccs1 ZINC000271567411 191216329 /nfs/dbraw/zinc/21/63/29/191216329.db2.gz YDOZYEBMKFZENC-NWANDNLSSA-N 2 0 294.464 2.777 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 ZINC000618468221 352780811 /nfs/dbraw/zinc/78/08/11/352780811.db2.gz WZWNVZKAZCLXFE-OAHLLOKOSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCC([NH3+])CC1 ZINC000163410224 295850184 /nfs/dbraw/zinc/85/01/84/295850184.db2.gz GMCJGURGYWGDND-WHXUTIOJSA-N 2 0 252.324 2.967 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000094357894 539948887 /nfs/dbraw/zinc/94/88/87/539948887.db2.gz ANEMTLAXAQRYLK-UHFFFAOYSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1ccccc1OCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292251512 198218744 /nfs/dbraw/zinc/21/87/44/198218744.db2.gz XULGRPISMSUWTE-SFHVURJKSA-N 2 0 288.435 2.792 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1OC ZINC000619771162 353065229 /nfs/dbraw/zinc/06/52/29/353065229.db2.gz SMJZNKMBBRMNKJ-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP CN(Cc1cc(-c2ccco2)on1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152503823 188024321 /nfs/dbraw/zinc/02/43/21/188024321.db2.gz GIEIQEOOVZPXOP-CYBMUJFWSA-N 2 0 289.379 2.708 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC1(F)F ZINC000666444681 539966716 /nfs/dbraw/zinc/96/67/16/539966716.db2.gz JLEBGACVZOIJHN-DOMZBBRYSA-N 2 0 298.377 2.760 20 0 CFADRP Cc1cscc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000094877675 539976247 /nfs/dbraw/zinc/97/62/47/539976247.db2.gz FRDAKKWXJZUTDA-GFCCVEGCSA-N 2 0 252.427 2.876 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000156139062 188245186 /nfs/dbraw/zinc/24/51/86/188245186.db2.gz JEHFMDFAFOOKLN-UONOGXRCSA-N 2 0 286.423 2.568 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000156178083 188247067 /nfs/dbraw/zinc/24/70/67/188247067.db2.gz HBHHISRGDNKVIT-OAHLLOKOSA-N 2 0 264.388 2.642 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000393951935 539997873 /nfs/dbraw/zinc/99/78/73/539997873.db2.gz SBLSMCQHDRKRCH-TZMCWYRMSA-N 2 0 252.427 2.753 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]CC2(C)CCC2)C[C@H](C)O1 ZINC000434756808 540000928 /nfs/dbraw/zinc/00/09/28/540000928.db2.gz LNVDNZWQYUYHBI-GASCZTMLSA-N 2 0 268.445 2.656 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000621776840 353422501 /nfs/dbraw/zinc/42/25/01/353422501.db2.gz XSACHTHFVFERIM-KGLIPLIRSA-N 2 0 279.815 2.557 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000621778018 353423283 /nfs/dbraw/zinc/42/32/83/353423283.db2.gz JVNIKLYQQUYPQA-OAHLLOKOSA-N 2 0 291.439 2.529 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCCCC1(F)F)C2 ZINC000621784708 353425972 /nfs/dbraw/zinc/42/59/72/353425972.db2.gz UCIJHPRNKOZXPY-AGIUHOORSA-N 2 0 258.356 2.625 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C)c1 ZINC000158580883 188384025 /nfs/dbraw/zinc/38/40/25/188384025.db2.gz SZWBHQTZAGYBHA-IAGOWNOFSA-N 2 0 289.467 2.894 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCOC(C)(C)C)cc1 ZINC000621813838 353430543 /nfs/dbraw/zinc/43/05/43/353430543.db2.gz PJFOECLDDZNLNP-UHFFFAOYSA-N 2 0 294.439 2.532 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000622005182 353464697 /nfs/dbraw/zinc/46/46/97/353464697.db2.gz ZWLOQYKRYXZYSH-HIFRSBDPSA-N 2 0 291.439 2.527 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000622043860 353468625 /nfs/dbraw/zinc/46/86/25/353468625.db2.gz NYZSJCZZRAJTFU-GXSJLCMTSA-N 2 0 269.339 2.545 20 0 CFADRP CSc1ccc(C[NH2+]CCc2cncn2C)s1 ZINC000623085957 353584851 /nfs/dbraw/zinc/58/48/51/353584851.db2.gz OZTOXIJHMAEOSO-UHFFFAOYSA-N 2 0 267.423 2.536 20 0 CFADRP CCC(CC)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+](C)C ZINC000623353504 353623070 /nfs/dbraw/zinc/62/30/70/353623070.db2.gz NUCKYVBLGNBVOG-JKSUJKDBSA-N 2 0 283.504 2.815 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623359948 353624622 /nfs/dbraw/zinc/62/46/22/353624622.db2.gz KLLGKYAGLFUGBJ-DLBZAZTESA-N 3 0 295.515 2.959 20 0 CFADRP CC(C)CCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623383384 353631321 /nfs/dbraw/zinc/63/13/21/353631321.db2.gz RXVOMALWMGQXIY-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623404216 353635588 /nfs/dbraw/zinc/63/55/88/353635588.db2.gz UWBGFPVGBCSTGR-HOTGVXAUSA-N 3 0 281.488 2.569 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623410855 353637593 /nfs/dbraw/zinc/63/75/93/353637593.db2.gz IQDBDAKBQWKDKP-CYBMUJFWSA-N 2 0 281.469 2.765 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)CC1(C)C ZINC000623428203 353641777 /nfs/dbraw/zinc/64/17/77/353641777.db2.gz BTQXOVOGMWIFFZ-IRXDYDNUSA-N 2 0 290.451 2.615 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC1(C)C ZINC000623428733 353642507 /nfs/dbraw/zinc/64/25/07/353642507.db2.gz YCHMCEAJRWJOKU-HZPDHXFCSA-N 2 0 276.424 2.573 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623431635 353643428 /nfs/dbraw/zinc/64/34/28/353643428.db2.gz KDBRQOVRLJTTJR-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1(C)C ZINC000623436863 353643941 /nfs/dbraw/zinc/64/39/41/353643941.db2.gz IJZBTXQSLBPIGL-WOSRLPQWSA-N 2 0 268.445 2.652 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C2CC2)C2CC2)CC1(C)C ZINC000623434444 353644089 /nfs/dbraw/zinc/64/40/89/353644089.db2.gz VLTDJTQYYPWZSA-CQSZACIVSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOCc2ccccc2)CC1(C)C ZINC000623437865 353644806 /nfs/dbraw/zinc/64/48/06/353644806.db2.gz ATIJYODWLWDUCX-MRXNPFEDSA-N 2 0 276.424 2.666 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623470262 353651440 /nfs/dbraw/zinc/65/14/40/353651440.db2.gz GPXCKMPDAJPSRM-UHFFFAOYSA-N 2 0 286.423 2.773 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335569 353616468 /nfs/dbraw/zinc/61/64/68/353616468.db2.gz SMSYCVHTTFREEK-JKSUJKDBSA-N 3 0 283.504 2.959 20 0 CFADRP CCCCOCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623336083 353616543 /nfs/dbraw/zinc/61/65/43/353616543.db2.gz URMNQOYRIMYSJW-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623341737 353618925 /nfs/dbraw/zinc/61/89/25/353618925.db2.gz PMJCEEXSHOHMEA-HOTGVXAUSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCC(C)(C)C2)CC1(C)C ZINC000623503310 353659086 /nfs/dbraw/zinc/65/90/86/353659086.db2.gz UJQAARRYTJYYSI-YOEHRIQHSA-N 2 0 282.472 2.780 20 0 CFADRP c1[nH]nc2cccc(C[NH2+]C[C@@H]3CCCCN3C3CC3)c12 ZINC000623507911 353659778 /nfs/dbraw/zinc/65/97/78/353659778.db2.gz AOBRFDBNKKNGHT-HNNXBMFYSA-N 2 0 284.407 2.669 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623504936 353659876 /nfs/dbraw/zinc/65/98/76/353659876.db2.gz GKGRDEFZLCNBPZ-SLTAFYQDSA-N 2 0 268.445 2.654 20 0 CFADRP CCc1noc(C)c1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623532208 353664805 /nfs/dbraw/zinc/66/48/05/353664805.db2.gz HNZDMBMWRVHFFK-GFCCVEGCSA-N 2 0 265.401 2.508 20 0 CFADRP C[C@@H](CNCc1c(F)ccc(F)c1Cl)C[NH+](C)C ZINC000623530152 353665404 /nfs/dbraw/zinc/66/54/04/353665404.db2.gz OYRZNSAOSHCTQO-VIFPVBQESA-N 2 0 276.758 2.906 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623536730 353666462 /nfs/dbraw/zinc/66/64/62/353666462.db2.gz ACBUNGCBXOBDEC-MJBXVCDLSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623536374 353666587 /nfs/dbraw/zinc/66/65/87/353666587.db2.gz UBGMXQSFSPQHOY-IRXDYDNUSA-N 2 0 295.515 2.959 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623538860 353667484 /nfs/dbraw/zinc/66/74/84/353667484.db2.gz XWEMHJINGLVKOA-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC1(C)C ZINC000623561084 353671892 /nfs/dbraw/zinc/67/18/92/353671892.db2.gz AJSWYSZCEBLLTG-MGPQQGTHSA-N 2 0 268.445 2.795 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000623560465 353672128 /nfs/dbraw/zinc/67/21/28/353672128.db2.gz GUKXOQMQMAKHBQ-BETUJISGSA-N 2 0 282.815 2.778 20 0 CFADRP Cn1ncc(C2CCC2)c1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623571726 353674828 /nfs/dbraw/zinc/67/48/28/353674828.db2.gz GGZGDUZEIFNMSI-CQSZACIVSA-N 2 0 290.455 2.650 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1(C)C ZINC000623573107 353675376 /nfs/dbraw/zinc/67/53/76/353675376.db2.gz XZPZVJGTPVXLJI-GHMZBOCLSA-N 2 0 260.372 2.740 20 0 CFADRP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)CC1(C)C ZINC000623615002 353687599 /nfs/dbraw/zinc/68/75/99/353687599.db2.gz KSSDSNZEAARIAW-RDJZCZTQSA-N 2 0 293.499 2.856 20 0 CFADRP C[NH+](C)CC1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000623492192 353656032 /nfs/dbraw/zinc/65/60/32/353656032.db2.gz PEBGVYVAUTZZAP-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623490737 353656144 /nfs/dbraw/zinc/65/61/44/353656144.db2.gz VODJBRILMNTLMR-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CS1 ZINC000623657752 353699043 /nfs/dbraw/zinc/69/90/43/353699043.db2.gz YADHBTMQGDUFNU-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCCO1 ZINC000624017004 353786274 /nfs/dbraw/zinc/78/62/74/353786274.db2.gz MKLKOIBREUHFCQ-UAGQMJEPSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCCCO1 ZINC000623853493 353740341 /nfs/dbraw/zinc/74/03/41/353740341.db2.gz ZYXZRYGYZFAMSH-OCCSQVGLSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCCO1 ZINC000623852877 353740453 /nfs/dbraw/zinc/74/04/53/353740453.db2.gz DPNMJNXJFSNACV-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623871717 353745623 /nfs/dbraw/zinc/74/56/23/353745623.db2.gz LCZLDPVFGDXGQG-RDJZCZTQSA-N 2 0 276.424 2.666 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2COc3cccc(C)c3C2)CC1 ZINC000624072291 353798397 /nfs/dbraw/zinc/79/83/97/353798397.db2.gz ZJGBCAUVBDDSIG-INIZCTEOSA-N 2 0 288.435 2.763 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000624078054 353800126 /nfs/dbraw/zinc/80/01/26/353800126.db2.gz NRLYHQRXWPMVEO-UKRRQHHQSA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCOCC1 ZINC000624121572 353810667 /nfs/dbraw/zinc/81/06/67/353810667.db2.gz YDITUPVXNJXYRP-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]2CCC[C@@H]21 ZINC000624200395 353833184 /nfs/dbraw/zinc/83/31/84/353833184.db2.gz KFHWEJHLDKBYCY-IAFLNBNSSA-N 2 0 262.441 2.885 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000624211821 353836030 /nfs/dbraw/zinc/83/60/30/353836030.db2.gz FULVTRHAQVXYRM-UHFFFAOYSA-N 2 0 272.396 2.541 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC12CC2)C1CC[NH+](C)CC1 ZINC000624313904 353860536 /nfs/dbraw/zinc/86/05/36/353860536.db2.gz XWQOCNOSPHUZHE-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000624298593 353856511 /nfs/dbraw/zinc/85/65/11/353856511.db2.gz VLAQRTWUVRQOJV-QSPRXWTASA-N 2 0 280.456 2.797 20 0 CFADRP CN1CC[NH+](CC2CC[NH+]([C@H]3CCC(C)(C)C3)CC2)CC1 ZINC000377617305 282945953 /nfs/dbraw/zinc/94/59/53/282945953.db2.gz ALUAMTRRWYFGTK-KRWDZBQOSA-N 2 0 293.499 2.525 20 0 CFADRP CCO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000625263837 354008683 /nfs/dbraw/zinc/00/86/83/354008683.db2.gz LVEYJUPHXNLGKQ-BPQIPLTHSA-N 2 0 292.467 2.750 20 0 CFADRP C[C@H]1C[C@@H]1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000625453512 354050862 /nfs/dbraw/zinc/05/08/62/354050862.db2.gz NVPICZPYAMXOHY-GOEBONIOSA-N 2 0 258.409 2.897 20 0 CFADRP CC1(C)CCC[C@@](CO)([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000625837490 354124515 /nfs/dbraw/zinc/12/45/15/354124515.db2.gz RVYKHDKOJFOYLE-QGZVFWFLSA-N 2 0 282.472 2.783 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)C[NH+](C)C ZINC000293352015 198609969 /nfs/dbraw/zinc/60/99/69/198609969.db2.gz HAMISNKNAAISNP-OHFALNGGSA-N 2 0 260.425 2.966 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628134403 354442864 /nfs/dbraw/zinc/44/28/64/354442864.db2.gz NUNRJYHWWKRILA-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP C[N@@H+](Cc1ccc2[nH]ccc2c1)CC1CC[NH+](C)CC1 ZINC000628163848 354455183 /nfs/dbraw/zinc/45/51/83/354455183.db2.gz VIURCZCRXOLXJI-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1nc(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)[nH]c1C ZINC000628184695 354465805 /nfs/dbraw/zinc/46/58/05/354465805.db2.gz VVSLEKMZJBKOQL-KRWDZBQOSA-N 2 0 298.434 2.733 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3n[nH]cc32)C1 ZINC000628185846 354466281 /nfs/dbraw/zinc/46/62/81/354466281.db2.gz OBWHXPPNQOMWBO-CQSZACIVSA-N 2 0 286.423 2.727 20 0 CFADRP Cc1nc(C)c(C[NH2+]CCCC[NH+]2CCC(C)CC2)o1 ZINC000628202590 354474957 /nfs/dbraw/zinc/47/49/57/354474957.db2.gz ABQWKOIDNKWIBU-UHFFFAOYSA-N 2 0 279.428 2.893 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000628208855 354476858 /nfs/dbraw/zinc/47/68/58/354476858.db2.gz GBWFAIWQCXYCCO-HZPDHXFCSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628214037 354480002 /nfs/dbraw/zinc/48/00/02/354480002.db2.gz ILCIMHLBQBZHGI-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628315946 354541261 /nfs/dbraw/zinc/54/12/61/354541261.db2.gz CETFWNNPRRTTLX-UHFFFAOYSA-N 2 0 284.407 2.592 20 0 CFADRP Cc1ccc([C@@H](C)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000628253662 354504664 /nfs/dbraw/zinc/50/46/64/354504664.db2.gz RHWBORMTYLUMCB-BHYGNILZSA-N 2 0 258.409 2.592 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000628261026 354508367 /nfs/dbraw/zinc/50/83/67/354508367.db2.gz FEUIJDHDXCBDAA-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000628279010 354516228 /nfs/dbraw/zinc/51/62/28/354516228.db2.gz PYDCUHDGNNALOQ-ZWKOTPCHSA-N 2 0 295.515 2.772 20 0 CFADRP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc2n[nH]cc21 ZINC000628279643 354516909 /nfs/dbraw/zinc/51/69/09/354516909.db2.gz SJDFUGNJJYCTQA-UHFFFAOYSA-N 2 0 286.423 2.871 20 0 CFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629388151 354799391 /nfs/dbraw/zinc/79/93/91/354799391.db2.gz NVGWFRIFMFDJCH-HNNXBMFYSA-N 2 0 290.451 2.840 20 0 CFADRP C[C@H](C[NH2+]CCOCCC[NH3+])CC1CCCCC1 ZINC000629399060 354802866 /nfs/dbraw/zinc/80/28/66/354802866.db2.gz BPNGVEPLZORWTC-AWEZNQCLSA-N 2 0 256.434 2.548 20 0 CFADRP CC1(c2ccccc2)CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629399057 354803066 /nfs/dbraw/zinc/80/30/66/354803066.db2.gz BMMJQMSMTFPMKG-UHFFFAOYSA-N 2 0 290.451 2.842 20 0 CFADRP C[C@H](CCC1CCCCC1)[NH2+]CCOCCC[NH3+] ZINC000629399944 354803096 /nfs/dbraw/zinc/80/30/96/354803096.db2.gz MSENFYIESACRAQ-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCOCCC[NH3+])cc1 ZINC000629399424 354803292 /nfs/dbraw/zinc/80/32/92/354803292.db2.gz GIIFLAYJSMOLGD-IAGOWNOFSA-N 2 0 276.424 2.586 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000629529596 354833171 /nfs/dbraw/zinc/83/31/71/354833171.db2.gz HZINUDAOOBMZMH-QGZVFWFLSA-N 2 0 276.424 2.744 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000629530702 354833667 /nfs/dbraw/zinc/83/36/67/354833667.db2.gz NUJOLDXFHNYTFC-LBPRGKRZSA-N 2 0 278.421 2.788 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000629530412 354833975 /nfs/dbraw/zinc/83/39/75/354833975.db2.gz GLSNFCIYVNYXJE-AAEUAGOBSA-N 2 0 268.426 2.512 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)c2ccccc21 ZINC000629514873 354824750 /nfs/dbraw/zinc/82/47/50/354824750.db2.gz UWHLEFCZJWCMCF-SNRMKQJTSA-N 2 0 294.398 2.862 20 0 CFADRP Cc1ccc2ncc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2c1 ZINC000629514905 354824822 /nfs/dbraw/zinc/82/48/22/354824822.db2.gz VOZPYPOMWJWDOI-UHFFFAOYSA-N 2 0 271.408 2.960 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000629530940 354834014 /nfs/dbraw/zinc/83/40/14/354834014.db2.gz VVBIDBHPUVLYAP-KRWDZBQOSA-N 2 0 290.451 2.916 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CCOCC1 ZINC000629519795 354826842 /nfs/dbraw/zinc/82/68/42/354826842.db2.gz COEVPKNZYRVBKP-INIZCTEOSA-N 2 0 274.408 2.625 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc2c1 ZINC000629519678 354826868 /nfs/dbraw/zinc/82/68/68/354826868.db2.gz GYSDUNZRGZGVEM-ZFWWWQNUSA-N 2 0 269.392 2.712 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCCCC3)CCOCC1 ZINC000629522038 354827585 /nfs/dbraw/zinc/82/75/85/354827585.db2.gz VZEIBSAVWHSLJK-CQSZACIVSA-N 2 0 266.429 2.587 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CCOCC1 ZINC000629522092 354827877 /nfs/dbraw/zinc/82/78/77/354827877.db2.gz XJNWCHHYMUGHRE-MRXNPFEDSA-N 2 0 299.418 2.643 20 0 CFADRP CCCc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521413 354827918 /nfs/dbraw/zinc/82/79/18/354827918.db2.gz PFARZANMYAZREY-AWEZNQCLSA-N 2 0 276.424 2.798 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629521656 354827923 /nfs/dbraw/zinc/82/79/23/354827923.db2.gz QFWHSDSGRPLKGJ-LRDDRELGSA-N 2 0 292.398 2.547 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1 ZINC000629524639 354829561 /nfs/dbraw/zinc/82/95/61/354829561.db2.gz RSEAROKFUJNUAW-CQSZACIVSA-N 2 0 282.815 2.889 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CC2([NH3+])CCOCC2)C(C)C)cc1 ZINC000629524815 354829861 /nfs/dbraw/zinc/82/98/61/354829861.db2.gz QBNCKVWJXCSDOR-QGZVFWFLSA-N 2 0 290.451 2.660 20 0 CFADRP Cn1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000629648258 354875600 /nfs/dbraw/zinc/87/56/00/354875600.db2.gz KBVIEHSJKJPSCF-MRXNPFEDSA-N 2 0 257.381 2.595 20 0 CFADRP CC(C)CO[C@@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1(C)C ZINC000629534538 354834635 /nfs/dbraw/zinc/83/46/35/354834635.db2.gz AEPPASFFNWIOKI-CBBWQLFWSA-N 2 0 268.445 2.556 20 0 CFADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629536902 354835759 /nfs/dbraw/zinc/83/57/59/354835759.db2.gz GUDKYHBRKYVHFD-CQSZACIVSA-N 2 0 270.804 2.746 20 0 CFADRP c1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)CO2 ZINC000629652871 354878193 /nfs/dbraw/zinc/87/81/93/354878193.db2.gz FEGGPBNYFFNHLN-MSOLQXFVSA-N 2 0 298.430 2.784 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000629540056 354838907 /nfs/dbraw/zinc/83/89/07/354838907.db2.gz SIPSSKRQNBDEJL-GDBMZVCRSA-N 2 0 296.842 2.931 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CCOCCC[NH3+])C(C)C)cc1 ZINC000629542229 354839639 /nfs/dbraw/zinc/83/96/39/354839639.db2.gz WTNYXBRSRMGAEY-QGZVFWFLSA-N 2 0 278.440 2.517 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CC3 ZINC000629545808 354842398 /nfs/dbraw/zinc/84/23/98/354842398.db2.gz RQPUTYDMGAKHNZ-HEHGZKQESA-N 2 0 283.419 2.674 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000629546821 354842827 /nfs/dbraw/zinc/84/28/27/354842827.db2.gz XUGFWZWRDMLCPG-QMCVQRASSA-N 2 0 258.409 2.738 20 0 CFADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000629548232 354843377 /nfs/dbraw/zinc/84/33/77/354843377.db2.gz XUVQDKKVMKFDRH-ADNDVJRGSA-N 2 0 266.429 2.597 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629547567 354843742 /nfs/dbraw/zinc/84/37/42/354843742.db2.gz BWZMFOYJKGHXHK-KGLIPLIRSA-N 2 0 269.392 2.964 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548285 354843794 /nfs/dbraw/zinc/84/37/94/354843794.db2.gz DSIARGCETMHXBX-UWVGGRQHSA-N 2 0 250.308 2.579 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000629654446 354878369 /nfs/dbraw/zinc/87/83/69/354878369.db2.gz RBNPRDFSJVMGRI-MSOLQXFVSA-N 2 0 290.451 2.665 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629551937 354845766 /nfs/dbraw/zinc/84/57/66/354845766.db2.gz YBANZKNWODAYKA-VHSXEESVSA-N 2 0 278.343 2.984 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000629571666 354849195 /nfs/dbraw/zinc/84/91/95/354849195.db2.gz OPLDTCBSBWJWES-LLVKDONJSA-N 2 0 288.794 2.708 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+]CC1([NH3+])CCOCC1 ZINC000629653541 354878593 /nfs/dbraw/zinc/87/85/93/354878593.db2.gz IRKVVGISFNJHLO-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1cc2cc(C)c(C)cc2o1 ZINC000629654279 354878599 /nfs/dbraw/zinc/87/85/99/354878599.db2.gz OVPSXZNHIJLQEJ-UHFFFAOYSA-N 2 0 290.407 2.717 20 0 CFADRP C[C@H](C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000629581118 354850396 /nfs/dbraw/zinc/85/03/96/354850396.db2.gz NQHXSGBKOZABGX-GDBMZVCRSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH3+])CN1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000629582580 354850523 /nfs/dbraw/zinc/85/05/23/354850523.db2.gz VGAKQUZPQFSQIU-GVXVVHGQSA-N 2 0 297.240 2.974 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000629652365 354878630 /nfs/dbraw/zinc/87/86/30/354878630.db2.gz BCVZHLYSBZHWAH-CVEARBPZSA-N 2 0 272.392 2.570 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCc1ccccc1)C2 ZINC000629585068 354851458 /nfs/dbraw/zinc/85/14/58/354851458.db2.gz ZGYFUHTUCAPWMC-CALCHBBNSA-N 2 0 258.409 2.551 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585539 354851489 /nfs/dbraw/zinc/85/14/89/354851489.db2.gz WEAGIPYGLOMDAT-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000629652367 354878662 /nfs/dbraw/zinc/87/86/62/354878662.db2.gz BCVZHLYSBZHWAH-HZPDHXFCSA-N 2 0 272.392 2.570 20 0 CFADRP COC1(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCCC1 ZINC000629655843 354879220 /nfs/dbraw/zinc/87/92/20/354879220.db2.gz XOYLMJNWGUJJMY-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH2+][C@H](CO)c1cccc(-c2cccc(C[NH+](C)C)c2)c1 ZINC000629706158 354902578 /nfs/dbraw/zinc/90/25/78/354902578.db2.gz FIGSTLBUCFTHLY-GOSISDBHSA-N 2 0 284.403 2.668 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccc([C@H]([NH3+])CO)cc2)cc1F ZINC000629709042 354903580 /nfs/dbraw/zinc/90/35/80/354903580.db2.gz MNFCVEZOVUXRJA-QGZVFWFLSA-N 2 0 288.366 2.546 20 0 CFADRP C[NH+](C)CCc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1 ZINC000629731041 354911504 /nfs/dbraw/zinc/91/15/04/354911504.db2.gz DMQJNPUSXDGEFL-UHFFFAOYSA-N 2 0 287.432 2.560 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000340285799 283065971 /nfs/dbraw/zinc/06/59/71/283065971.db2.gz CBRUQUUGTBFLCQ-QZTJIDSGSA-N 2 0 295.515 2.913 20 0 CFADRP FCCC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000630072673 354994952 /nfs/dbraw/zinc/99/49/52/354994952.db2.gz UXZXZRGFWGZTFK-UHFFFAOYSA-N 2 0 276.399 2.904 20 0 CFADRP COCc1csc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000667667213 540112590 /nfs/dbraw/zinc/11/25/90/540112590.db2.gz HSNFBJCZNNJMIB-GXTWGEPZSA-N 2 0 282.453 2.809 20 0 CFADRP CCCn1c2ccccc2nc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271848418 191363793 /nfs/dbraw/zinc/36/37/93/191363793.db2.gz SGCTZQIQGMYITA-UHFFFAOYSA-N 2 0 298.434 2.798 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCCCC2)C1 ZINC000366954674 283094538 /nfs/dbraw/zinc/09/45/38/283094538.db2.gz MGCTYUWYZNMGJM-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000631245445 355372462 /nfs/dbraw/zinc/37/24/62/355372462.db2.gz MCJKCNNCOSGSPD-GVDBMIGSSA-N 2 0 292.467 2.942 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1(C)C ZINC000631253185 355376013 /nfs/dbraw/zinc/37/60/13/355376013.db2.gz FBPUBBXBJLBUJR-XHSDSOJGSA-N 2 0 280.456 2.797 20 0 CFADRP c1cc(C[NH2+][C@H]2CCCC23CC3)n(-c2cc[nH+]cc2)n1 ZINC000631193544 355342098 /nfs/dbraw/zinc/34/20/98/355342098.db2.gz PWVUNDBXVJLAGB-HNNXBMFYSA-N 2 0 268.364 2.690 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000631204751 355350211 /nfs/dbraw/zinc/35/02/11/355350211.db2.gz FCOIXKRSSYGBAT-XYJFISCASA-N 2 0 294.483 2.924 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](CC(C)C)CC1)CC(C)C ZINC000669425297 540148419 /nfs/dbraw/zinc/14/84/19/540148419.db2.gz RTKFHNQHACFAGA-INIZCTEOSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229091114 540148836 /nfs/dbraw/zinc/14/88/36/540148836.db2.gz IXXWHUUZIIMPLB-HOTGVXAUSA-N 2 0 276.424 2.599 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631565496 355490538 /nfs/dbraw/zinc/49/05/38/355490538.db2.gz HJIKGECPGYHRMT-JYJNAYRXSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CCN1CC[C@@H](C)C1 ZINC000631585457 355503476 /nfs/dbraw/zinc/50/34/76/355503476.db2.gz MMJTUAZSDWAAQG-CXAGYDPISA-N 2 0 274.408 2.614 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631564280 355489016 /nfs/dbraw/zinc/48/90/16/355489016.db2.gz HVFVKJBRENLJDV-IRXDYDNUSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631650974 355533040 /nfs/dbraw/zinc/53/30/40/355533040.db2.gz GZNRAPBLZNZJQR-PBHICJAKSA-N 2 0 273.424 2.781 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631663472 355536775 /nfs/dbraw/zinc/53/67/75/355536775.db2.gz JHMBGERWESPWLG-RYRKJORJSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000631680368 355545124 /nfs/dbraw/zinc/54/51/24/355545124.db2.gz PUOPNJNFZBRFCR-BFYDXBDKSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631616106 355515640 /nfs/dbraw/zinc/51/56/40/355515640.db2.gz LFKFFLZKMVJRJY-MRXNPFEDSA-N 2 0 273.424 2.781 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887653 355615181 /nfs/dbraw/zinc/61/51/81/355615181.db2.gz PMRBCICMVWGPJQ-DLBZAZTESA-N 2 0 288.435 2.838 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(C)n1 ZINC000631825337 355596460 /nfs/dbraw/zinc/59/64/60/355596460.db2.gz GHVXVFPWRFLXRN-HNNXBMFYSA-N 2 0 261.413 2.568 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(C)n1 ZINC000631826063 355596554 /nfs/dbraw/zinc/59/65/54/355596554.db2.gz DEIPYVFVJZHFLH-KRWDZBQOSA-N 2 0 287.451 2.828 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2CCOC3)[C@H]1CC[NH3+] ZINC000631828951 355597670 /nfs/dbraw/zinc/59/76/70/355597670.db2.gz CMUQGPLJUHXJBS-KDOFPFPSSA-N 2 0 288.435 2.709 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836734 355600646 /nfs/dbraw/zinc/60/06/46/355600646.db2.gz GBFIXOBKVSXJSW-UKRRQHHQSA-N 2 0 275.440 2.794 20 0 CFADRP c1csc(CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000631837560 355601071 /nfs/dbraw/zinc/60/10/71/355601071.db2.gz UOSJNOBUDQXNDR-HNNXBMFYSA-N 2 0 293.480 2.787 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890387 355616275 /nfs/dbraw/zinc/61/62/75/355616275.db2.gz PFESRDUEININJB-HIFRSBDPSA-N 2 0 276.449 2.982 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CN1CCSc1cccc(Cl)c1 ZINC000631861865 355608007 /nfs/dbraw/zinc/60/80/07/355608007.db2.gz JDQGQXPWRPEFAE-PWSUYJOCSA-N 2 0 270.829 2.854 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)CC[N@@H+]1C ZINC000631730680 355567405 /nfs/dbraw/zinc/56/74/05/355567405.db2.gz ARIMEALTHYUZHE-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc2[nH]ccc2c1)C[NH+]1CCCC1 ZINC000229650710 540184080 /nfs/dbraw/zinc/18/40/80/540184080.db2.gz CAGHHGYQCPIBIX-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000229664144 540184268 /nfs/dbraw/zinc/18/42/68/540184268.db2.gz WDCDUCOSVGVIKQ-HZPDHXFCSA-N 2 0 269.392 2.884 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000334624938 540193503 /nfs/dbraw/zinc/19/35/03/540193503.db2.gz RJXIFMVGKPUVNH-KGLIPLIRSA-N 2 0 272.383 2.840 20 0 CFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000680351467 540210809 /nfs/dbraw/zinc/21/08/09/540210809.db2.gz WLODZFPHTBSHFT-ZBFHGGJFSA-N 2 0 294.439 2.547 20 0 CFADRP CN1CC[C@H]([NH2+][C@H]2COCC2(C)C)C[C@H]1c1ccccc1 ZINC000453353941 540228404 /nfs/dbraw/zinc/22/84/04/540228404.db2.gz IABHLCXPPQAHRY-ULQDDVLXSA-N 2 0 288.435 2.837 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000334846817 540253628 /nfs/dbraw/zinc/25/36/28/540253628.db2.gz QSHIQQLUSVXGDP-LSDHHAIUSA-N 2 0 273.355 2.733 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423132709 283179507 /nfs/dbraw/zinc/17/95/07/283179507.db2.gz CAANOILTJGIOTM-KGLIPLIRSA-N 2 0 292.471 2.620 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)ccc2n1 ZINC000334847373 540254155 /nfs/dbraw/zinc/25/41/55/540254155.db2.gz MEICZPFTIILQJO-JKSUJKDBSA-N 2 0 269.392 2.903 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000568006717 290514373 /nfs/dbraw/zinc/51/43/73/290514373.db2.gz OPHXBXMSZCYVHI-UHFFFAOYSA-N 2 0 298.434 2.742 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000568249051 290540105 /nfs/dbraw/zinc/54/01/05/290540105.db2.gz GGNAOHSSIRSBET-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)CC(C)C ZINC000451035374 283259948 /nfs/dbraw/zinc/25/99/48/283259948.db2.gz GVTDRQZDISJEDS-KRWDZBQOSA-N 2 0 283.504 2.771 20 0 CFADRP CCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420380950 283269951 /nfs/dbraw/zinc/26/99/51/283269951.db2.gz XCTFKDUAVCNBGQ-CQSZACIVSA-N 2 0 262.397 2.612 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000336509188 540288978 /nfs/dbraw/zinc/28/89/78/540288978.db2.gz BTRJPEZMWBBCGJ-KRWDZBQOSA-N 2 0 274.408 2.579 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1C ZINC000339072903 540281770 /nfs/dbraw/zinc/28/17/70/540281770.db2.gz YYDBZDUGPQFYQZ-SJORKVTESA-N 2 0 288.435 2.763 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccncc1 ZINC000339067156 540282876 /nfs/dbraw/zinc/28/28/76/540282876.db2.gz GTNVYEGBUAZMGJ-JYJNAYRXSA-N 2 0 259.397 2.749 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339068614 540283509 /nfs/dbraw/zinc/28/35/09/540283509.db2.gz OKXDZMKBXJXOGG-MHORFTMASA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339069053 540283535 /nfs/dbraw/zinc/28/35/35/540283535.db2.gz QOYHYOSOOOXWTI-FGTMMUONSA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339068739 540283567 /nfs/dbraw/zinc/28/35/67/540283567.db2.gz MPXKRCXRAPOHDO-ZACQAIPSSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H](c1ccncc1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000673717300 540315797 /nfs/dbraw/zinc/31/57/97/540315797.db2.gz REAQRHLDCWDGAP-HOCLYGCPSA-N 2 0 273.424 2.806 20 0 CFADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000486938544 299272078 /nfs/dbraw/zinc/27/20/78/299272078.db2.gz ILOIOJBXAUEGQT-YOEHRIQHSA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ncccc2C)[C@@H](C)C1 ZINC000294683515 199133157 /nfs/dbraw/zinc/13/31/57/199133157.db2.gz ADJPZZNYBZVYMT-DOTOQJQBSA-N 2 0 275.440 2.643 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000294834216 199204296 /nfs/dbraw/zinc/20/42/96/199204296.db2.gz YRCSCBRNWQXISR-AWEZNQCLSA-N 2 0 288.435 2.787 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)O1 ZINC000294835581 199205882 /nfs/dbraw/zinc/20/58/82/199205882.db2.gz STILVTIIXHCGJO-VKJFTORMSA-N 2 0 288.435 2.938 20 0 CFADRP Fc1ccccc1C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420295437 236603774 /nfs/dbraw/zinc/60/37/74/236603774.db2.gz AIKOXDZRUJZIPS-CYBMUJFWSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000093944661 299286606 /nfs/dbraw/zinc/28/66/06/299286606.db2.gz VSDKCBAAWXMZMF-AWEZNQCLSA-N 2 0 275.440 2.745 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000343444887 540428034 /nfs/dbraw/zinc/42/80/34/540428034.db2.gz KSDYBJLJJQULKZ-HNNXBMFYSA-N 2 0 298.434 2.865 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000093210622 540426570 /nfs/dbraw/zinc/42/65/70/540426570.db2.gz CJIFTAPASNRRGL-CVEARBPZSA-N 2 0 271.408 2.891 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnccn1 ZINC000157867331 299288975 /nfs/dbraw/zinc/28/89/75/299288975.db2.gz TZDDXWHQRVOIEG-GJZGRUSLSA-N 2 0 276.428 2.782 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000678593741 540462909 /nfs/dbraw/zinc/46/29/09/540462909.db2.gz NCNIXSDBFNJHQQ-BMGDILEWSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CS1 ZINC000094470976 540450791 /nfs/dbraw/zinc/45/07/91/540450791.db2.gz MOTORQXNKMAOFS-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccsc2)CC1 ZINC000669687596 540485098 /nfs/dbraw/zinc/48/50/98/540485098.db2.gz VNBNNTZTDLYGPW-UHFFFAOYSA-N 2 0 295.496 2.596 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1C ZINC000422558513 237102853 /nfs/dbraw/zinc/10/28/53/237102853.db2.gz AZWGNDCGACVHTJ-LZWOXQAQSA-N 2 0 276.424 2.809 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c(C)c1 ZINC000422560855 237104134 /nfs/dbraw/zinc/10/41/34/237104134.db2.gz ICJMXXRCBYLKMY-UHFFFAOYSA-N 2 0 258.409 2.940 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000422735431 237148498 /nfs/dbraw/zinc/14/84/98/237148498.db2.gz USIDNAPCGSSPFU-LEOABGAYSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@H]1C ZINC000422735434 237149151 /nfs/dbraw/zinc/14/91/51/237149151.db2.gz USIDNAPCGSSPFU-YXMSTPNBSA-N 2 0 268.445 2.545 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422737359 237150540 /nfs/dbraw/zinc/15/05/40/237150540.db2.gz XMALXXGLFKZCPB-OWCLPIDISA-N 2 0 294.826 2.587 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422739337 237151182 /nfs/dbraw/zinc/15/11/82/237151182.db2.gz LCTNZGMUGBJIDN-FUHWJXTLSA-N 2 0 289.467 2.881 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422701808 237122433 /nfs/dbraw/zinc/12/24/33/237122433.db2.gz CPAOXMJVXXCCRB-ZDUSSCGKSA-N 2 0 298.858 2.961 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2ccccc2c1 ZINC000422706809 237125157 /nfs/dbraw/zinc/12/51/57/237125157.db2.gz VEKFBPLRCUFSHU-QGZVFWFLSA-N 2 0 272.392 2.683 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422713308 237130746 /nfs/dbraw/zinc/13/07/46/237130746.db2.gz JJWCDLRYPUZTPS-WFASDCNBSA-N 2 0 282.815 2.697 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000422766612 237181463 /nfs/dbraw/zinc/18/14/63/237181463.db2.gz RZPUHPUYCQCPJO-GOEBONIOSA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000422766734 237181679 /nfs/dbraw/zinc/18/16/79/237181679.db2.gz RHPCPJKKGFVYSY-KSZLIROESA-N 2 0 287.451 2.511 20 0 CFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036398 540536823 /nfs/dbraw/zinc/53/68/23/540536823.db2.gz MLBSPBQHRWZNLY-UHFFFAOYSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422768525 237186076 /nfs/dbraw/zinc/18/60/76/237186076.db2.gz UQZHGBJAUCOLRJ-FZKCQIBNSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422769013 237186580 /nfs/dbraw/zinc/18/65/80/237186580.db2.gz ZWOIUYVOEFWLII-KZNAEPCWSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422770794 237190006 /nfs/dbraw/zinc/19/00/06/237190006.db2.gz XGWFLSZAKRDJNS-LJISPDSOSA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000422775869 237190836 /nfs/dbraw/zinc/19/08/36/237190836.db2.gz BPBLSICIGVQHAL-HIFRSBDPSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422745270 237158905 /nfs/dbraw/zinc/15/89/05/237158905.db2.gz LSSZYXOBAYPGSX-JYJNAYRXSA-N 2 0 289.467 2.927 20 0 CFADRP Cc1[nH+]c2cc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C ZINC000679153338 540541975 /nfs/dbraw/zinc/54/19/75/540541975.db2.gz RVEDARSLRZVYAA-SMDDNHRTSA-N 2 0 272.396 2.776 20 0 CFADRP Cc1[nH+]c2cc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C ZINC000679153336 540541994 /nfs/dbraw/zinc/54/19/94/540541994.db2.gz RVEDARSLRZVYAA-FZMZJTMJSA-N 2 0 272.396 2.776 20 0 CFADRP CSCCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422750914 237166664 /nfs/dbraw/zinc/16/66/64/237166664.db2.gz DWKVPYKJNBBPBX-ZFWWWQNUSA-N 2 0 266.454 2.678 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250837295 540531845 /nfs/dbraw/zinc/53/18/45/540531845.db2.gz BXYPMDPSDUSWOT-BZZMCLGOSA-N 2 0 270.420 2.837 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000422764473 237177989 /nfs/dbraw/zinc/17/79/89/237177989.db2.gz UZKCEBPUYYWBHN-XOKHGSTOSA-N 2 0 258.409 2.522 20 0 CFADRP CC1(C)CCC(O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000251130734 540534128 /nfs/dbraw/zinc/53/41/28/540534128.db2.gz GVTPUDBIISTUCT-CABCVRRESA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1F ZINC000422796198 237219402 /nfs/dbraw/zinc/21/94/02/237219402.db2.gz XRXHXLKYUUMNBW-IPYPFGDCSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Cl)cc1 ZINC000422798096 237223090 /nfs/dbraw/zinc/22/30/90/237223090.db2.gz PSAZDSOQRQYBRO-SQPSOYEMSA-N 2 0 294.826 2.980 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000422801674 237225906 /nfs/dbraw/zinc/22/59/06/237225906.db2.gz CJSVPBZYYWVNJP-YQQAZPJKSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774752 237192790 /nfs/dbraw/zinc/19/27/90/237192790.db2.gz YIXLRMOGNDJDND-STQMWFEESA-N 2 0 262.397 2.691 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000422773704 237193289 /nfs/dbraw/zinc/19/32/89/237193289.db2.gz UQNKCALOYXNAHO-ZFWWWQNUSA-N 2 0 264.438 2.756 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccsc1 ZINC000422802819 237227612 /nfs/dbraw/zinc/22/76/12/237227612.db2.gz DZKWHCULXRJODE-BBRMVZONSA-N 2 0 274.433 2.839 20 0 CFADRP CC1(C)CCC(O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000156118423 540559011 /nfs/dbraw/zinc/55/90/11/540559011.db2.gz GVTPUDBIISTUCT-LSDHHAIUSA-N 2 0 280.456 2.534 20 0 CFADRP Cc1ccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422785561 237206061 /nfs/dbraw/zinc/20/60/61/237206061.db2.gz PKWGAIATAGPEKD-NVXWUHKLSA-N 2 0 277.456 2.705 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000422802493 237228022 /nfs/dbraw/zinc/22/80/22/237228022.db2.gz DJCFZBGHIGSQAT-LRDDRELGSA-N 2 0 297.402 2.503 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422788919 237212667 /nfs/dbraw/zinc/21/26/67/237212667.db2.gz WBTCYMFXMQMJGK-ZIAGYGMSSA-N 2 0 264.413 2.906 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000422794284 237217351 /nfs/dbraw/zinc/21/73/51/237217351.db2.gz YYLJJXPVFQQKOS-HUUCEWRRSA-N 2 0 286.423 2.676 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422824744 237252577 /nfs/dbraw/zinc/25/25/77/237252577.db2.gz OFTRJRKJJJFOMI-XHSDSOJGSA-N 2 0 277.456 2.612 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422829335 237256654 /nfs/dbraw/zinc/25/66/54/237256654.db2.gz HHRKQZWJUICYEC-MSOLQXFVSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422830821 237258217 /nfs/dbraw/zinc/25/82/17/237258217.db2.gz DCSPNGIQFGHBOK-BFYDXBDKSA-N 2 0 275.440 2.913 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422808095 237234961 /nfs/dbraw/zinc/23/49/61/237234961.db2.gz AFKLDDUYEDYOFI-BFHYXJOUSA-N 2 0 264.413 2.904 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422810757 237237049 /nfs/dbraw/zinc/23/70/49/237237049.db2.gz SJYDCUJRMYKSIT-AEFFLSMTSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422854670 237275735 /nfs/dbraw/zinc/27/57/35/237275735.db2.gz BDXNOVNVQOYHPZ-BFYDXBDKSA-N 2 0 290.451 2.615 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422860090 237278571 /nfs/dbraw/zinc/27/85/71/237278571.db2.gz HYEKATYTLGWGGK-PBHICJAKSA-N 2 0 298.434 2.973 20 0 CFADRP CCCn1c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)nc2ccccc21 ZINC000666952039 540595950 /nfs/dbraw/zinc/59/59/50/540595950.db2.gz COKQNEXERYTTFE-MRXNPFEDSA-N 2 0 298.434 2.678 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953785 540596719 /nfs/dbraw/zinc/59/67/19/540596719.db2.gz HWZSQTBQJJYIOX-WDEREUQCSA-N 2 0 264.335 2.839 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c(OC(C)C)c1 ZINC000422873511 237291963 /nfs/dbraw/zinc/29/19/63/237291963.db2.gz LIBCFPACZCTHKM-ZBFHGGJFSA-N 2 0 276.424 2.999 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000422876942 237296022 /nfs/dbraw/zinc/29/60/22/237296022.db2.gz GVNBOALRKMAESP-HZMBPMFUSA-N 2 0 270.779 2.957 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422874321 237296043 /nfs/dbraw/zinc/29/60/43/237296043.db2.gz NIYWWKQYVRQWEW-DZGCQCFKSA-N 2 0 262.397 2.611 20 0 CFADRP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422874529 237296460 /nfs/dbraw/zinc/29/64/60/237296460.db2.gz AHJVXORCPDLVTQ-BBRMVZONSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422840991 237265939 /nfs/dbraw/zinc/26/59/39/237265939.db2.gz CLTPRNMRBGMJLG-XJKSGUPXSA-N 2 0 271.408 2.749 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c[nH]c2c1 ZINC000422843466 237267057 /nfs/dbraw/zinc/26/70/57/237267057.db2.gz IJZZQLLTHHTDFF-CHWSQXEVSA-N 2 0 259.397 2.734 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422847851 237269997 /nfs/dbraw/zinc/26/99/97/237269997.db2.gz SFXCTAXXZJFKRU-QWHCGFSZSA-N 2 0 264.388 2.963 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)CCC[NH3+])n1 ZINC000422882818 237303637 /nfs/dbraw/zinc/30/36/37/237303637.db2.gz BARGHBPYTPZAFK-CYBMUJFWSA-N 2 0 286.423 2.706 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000422886685 237305365 /nfs/dbraw/zinc/30/53/65/237305365.db2.gz JOYDKXKKUIEGDP-BFHYXJOUSA-N 2 0 272.396 2.649 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422885419 237307154 /nfs/dbraw/zinc/30/71/54/237307154.db2.gz YOOYGDDZEAAUKH-SJORKVTESA-N 2 0 288.435 2.513 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422889551 237310029 /nfs/dbraw/zinc/31/00/29/237310029.db2.gz PUNGDPSOOZAVAR-ZBFHGGJFSA-N 2 0 257.381 2.570 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000422890673 237311157 /nfs/dbraw/zinc/31/11/57/237311157.db2.gz SVMCTHSYHGFGMW-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP C[C@@H](CCCCO)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000679330367 540609836 /nfs/dbraw/zinc/60/98/36/540609836.db2.gz IITBVALUYZJLTH-INIZCTEOSA-N 2 0 290.451 2.923 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000422902505 237325058 /nfs/dbraw/zinc/32/50/58/237325058.db2.gz DLSQQJGCXINHMN-ZBFHGGJFSA-N 2 0 264.388 2.865 20 0 CFADRP c1ccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CC2)cc1 ZINC000422909450 237331290 /nfs/dbraw/zinc/33/12/90/237331290.db2.gz FZIATMXEFRYOGK-IAGOWNOFSA-N 2 0 258.409 2.739 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1cc(C)cc(C)c1 ZINC000422922621 237353228 /nfs/dbraw/zinc/35/32/28/237353228.db2.gz QHEXKELVDSTBEK-NVXWUHKLSA-N 2 0 278.440 2.578 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422923455 237357009 /nfs/dbraw/zinc/35/70/09/237357009.db2.gz WFSLEDWNORWOJJ-IUODEOHRSA-N 2 0 268.376 2.620 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422931955 237362084 /nfs/dbraw/zinc/36/20/84/237362084.db2.gz DFPBICJIJBNZFT-LSDHHAIUSA-N 2 0 282.815 2.968 20 0 CFADRP Clc1cccc(CC[NH2+]C2CC[NH2+]CC2)c1Cl ZINC000422934310 237363187 /nfs/dbraw/zinc/36/31/87/237363187.db2.gz CKPSZNHTGOOENK-UHFFFAOYSA-N 2 0 273.207 2.878 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422939537 237367213 /nfs/dbraw/zinc/36/72/13/237367213.db2.gz GBUOWQRHTASLDZ-ZFWWWQNUSA-N 2 0 298.377 2.938 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000422936534 237367830 /nfs/dbraw/zinc/36/78/30/237367830.db2.gz IOHOOXKLWDAUHJ-JQWIXIFHSA-N 2 0 272.845 2.922 20 0 CFADRP Cn1cncc1CC[N@H+](C)Cc1cc2ccccc2o1 ZINC000297306571 200142208 /nfs/dbraw/zinc/14/22/08/200142208.db2.gz BONHQUNGRZKHDT-UHFFFAOYSA-N 2 0 269.348 2.841 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1nccs1 ZINC000422915459 237339686 /nfs/dbraw/zinc/33/96/86/237339686.db2.gz YJJMZQSFPZOPSG-NSHDSACASA-N 2 0 290.436 2.589 20 0 CFADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297331883 200151992 /nfs/dbraw/zinc/15/19/92/200151992.db2.gz JBRIWPWIRBAOFA-QZTJIDSGSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000422949991 237377069 /nfs/dbraw/zinc/37/70/69/237377069.db2.gz WWQCXSJIQACYAF-ZOCIIQOWSA-N 2 0 298.430 2.724 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422953816 237384290 /nfs/dbraw/zinc/38/42/90/237384290.db2.gz GNIRVSDIWZOIEX-STQMWFEESA-N 2 0 293.480 2.542 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(F)cc1Cl ZINC000422955474 237385690 /nfs/dbraw/zinc/38/56/90/237385690.db2.gz MDFXPRFXRVILII-VHSXEESVSA-N 2 0 258.768 2.737 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422957700 237386299 /nfs/dbraw/zinc/38/62/99/237386299.db2.gz UXZCLDWVUUOWDZ-ZIAGYGMSSA-N 2 0 293.480 2.773 20 0 CFADRP COc1cccc(C2([NH2+][C@@H](C)CCCC[NH3+])CC2)c1 ZINC000422960389 237389830 /nfs/dbraw/zinc/38/98/30/237389830.db2.gz WDLOVABIELJPOC-ZDUSSCGKSA-N 2 0 262.397 2.791 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422959599 237391120 /nfs/dbraw/zinc/39/11/20/237391120.db2.gz SUSHXZMWYZHFHJ-GJZGRUSLSA-N 2 0 284.350 2.593 20 0 CFADRP CCOc1ncccc1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422964235 237392612 /nfs/dbraw/zinc/39/26/12/237392612.db2.gz KVGACEWMRZMOJW-HOCLYGCPSA-N 2 0 291.439 2.881 20 0 CFADRP COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423019079 237446247 /nfs/dbraw/zinc/44/62/47/237446247.db2.gz TWPIAVFCRQGIRP-CKEIUWERSA-N 2 0 294.439 2.878 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423034166 237462983 /nfs/dbraw/zinc/46/29/83/237462983.db2.gz PMLYBKWDGXYNOG-HOTGVXAUSA-N 2 0 279.403 2.877 20 0 CFADRP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1CCC2 ZINC000257697513 540662532 /nfs/dbraw/zinc/66/25/32/540662532.db2.gz PEPOYXQJDLBRGU-GOSISDBHSA-N 2 0 270.420 2.751 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000415035505 283484101 /nfs/dbraw/zinc/48/41/01/283484101.db2.gz KPQVYBLOEQBANJ-DGCLKSJQSA-N 2 0 283.213 2.666 20 0 CFADRP C[N@H+](CCc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000258879327 540674411 /nfs/dbraw/zinc/67/44/11/540674411.db2.gz KFMPIYZMUWKYBF-OAHLLOKOSA-N 2 0 268.404 2.924 20 0 CFADRP C([NH2+]C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)C1CC1 ZINC000403537184 540671976 /nfs/dbraw/zinc/67/19/76/540671976.db2.gz PUZBXYWPLASLEJ-OAGGEKHMSA-N 2 0 262.441 2.887 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1SC ZINC000414863188 283520235 /nfs/dbraw/zinc/52/02/35/283520235.db2.gz XATKGAJVQQBLFS-GFCCVEGCSA-N 2 0 252.427 2.539 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c[nH]1 ZINC000176834656 189011104 /nfs/dbraw/zinc/01/11/04/189011104.db2.gz AWRVIZNZJMPLTA-SFHVURJKSA-N 2 0 283.419 2.669 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000406055167 540693258 /nfs/dbraw/zinc/69/32/58/540693258.db2.gz JYNNBUJRMFLKSI-AEGPPILISA-N 2 0 250.430 2.872 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000161975517 540701611 /nfs/dbraw/zinc/70/16/11/540701611.db2.gz SBSGLSFMCSZGHI-HNNXBMFYSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@H]([NH2+]CC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177834504 189073037 /nfs/dbraw/zinc/07/30/37/189073037.db2.gz GSRULTIGQKVART-ZDUSSCGKSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000121510971 291232162 /nfs/dbraw/zinc/23/21/62/291232162.db2.gz WMHUWAPVGPDEGG-CZUORRHYSA-N 2 0 266.429 2.551 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000423456850 283571036 /nfs/dbraw/zinc/57/10/36/283571036.db2.gz HINYDOPJNFOSJA-DJSGYFEHSA-N 2 0 262.372 2.920 20 0 CFADRP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000384139798 540778906 /nfs/dbraw/zinc/77/89/06/540778906.db2.gz YKBXTVDXKLDRBG-GUYCJALGSA-N 2 0 258.409 2.953 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000211144769 540770391 /nfs/dbraw/zinc/77/03/91/540770391.db2.gz TZXDSKWECLPEBO-BLLLJJGKSA-N 2 0 278.827 2.739 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@H](C)O)cc2)[C@H](C)C1 ZINC000178547461 189126208 /nfs/dbraw/zinc/12/62/08/189126208.db2.gz DWOJDRAEZMUYEE-CPUCHLNUSA-N 2 0 276.424 2.560 20 0 CFADRP COC[C@@H](C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000178669701 189136155 /nfs/dbraw/zinc/13/61/55/189136155.db2.gz RXKFVFGJBGPKBD-GJZGRUSLSA-N 2 0 294.439 2.560 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000423043758 296020958 /nfs/dbraw/zinc/02/09/58/296020958.db2.gz PWJYXBOQEQXWAZ-CABCVRRESA-N 2 0 275.440 2.892 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000253286212 540806330 /nfs/dbraw/zinc/80/63/30/540806330.db2.gz OKIKBMZRSREIFQ-CXAGYDPISA-N 2 0 258.409 2.994 20 0 CFADRP COc1cc(C[N@H+](C)CC2CC[NH2+]CC2)ccc1SC ZINC000178969095 189158357 /nfs/dbraw/zinc/15/83/57/189158357.db2.gz VECNIVJOFZTMRP-UHFFFAOYSA-N 2 0 294.464 2.849 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956749 189157131 /nfs/dbraw/zinc/15/71/31/189157131.db2.gz ZLOZGODAYHGHRN-KRWDZBQOSA-N 2 0 274.408 2.832 20 0 CFADRP c1cc2cc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH]1 ZINC000423094212 238197535 /nfs/dbraw/zinc/19/75/35/238197535.db2.gz BDCBZEHZCYAHOF-XYPWUTKMSA-N 2 0 269.392 2.583 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000423094057 238197859 /nfs/dbraw/zinc/19/78/59/238197859.db2.gz JDKHONYHVUIJSJ-KFWWJZLASA-N 2 0 294.414 2.805 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccc(F)cc2F)C1 ZINC000414911297 540830416 /nfs/dbraw/zinc/83/04/16/540830416.db2.gz DUEPDRVXLHNUIP-DHMVDLOISA-N 2 0 266.335 2.838 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423098606 238199743 /nfs/dbraw/zinc/19/97/43/238199743.db2.gz SMJQPQTUXKBJOY-QEJZJMRPSA-N 2 0 282.378 2.970 20 0 CFADRP c1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc2[nH]1 ZINC000423121418 238212213 /nfs/dbraw/zinc/21/22/13/238212213.db2.gz IRTMQFRYRNFPQG-GVDBMIGSSA-N 2 0 298.434 2.963 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423121971 238213237 /nfs/dbraw/zinc/21/32/37/238213237.db2.gz BPNTWJCRCJPIRT-XDKFSHSGSA-N 2 0 288.435 2.522 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423124063 238215702 /nfs/dbraw/zinc/21/57/02/238215702.db2.gz FTVKYVKVAJFICB-CXMBCZLWSA-N 2 0 292.398 2.545 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414925779 540831001 /nfs/dbraw/zinc/83/10/01/540831001.db2.gz MCYWHMZQVGTSHS-QWRGUYRKSA-N 2 0 267.442 2.800 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000414925345 540831232 /nfs/dbraw/zinc/83/12/32/540831232.db2.gz LQDWFUKKOLBCJY-AHCXZYCDSA-N 2 0 293.499 2.889 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(Cl)c1OC ZINC000414927285 540831363 /nfs/dbraw/zinc/83/13/63/540831363.db2.gz ORUQDSFNYDGNDM-NWDGAFQWSA-N 2 0 298.814 2.717 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000414936657 540831753 /nfs/dbraw/zinc/83/17/53/540831753.db2.gz ZJGAPJUVKBOWSQ-STQMWFEESA-N 2 0 256.752 2.839 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2c1 ZINC000414934018 540831796 /nfs/dbraw/zinc/83/17/96/540831796.db2.gz XOWYWBVLVNPFAV-QWHCGFSZSA-N 2 0 274.364 2.801 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423127871 238220002 /nfs/dbraw/zinc/22/00/02/238220002.db2.gz PVEXGDVJWLNPTL-UONOGXRCSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423130825 238220093 /nfs/dbraw/zinc/22/00/93/238220093.db2.gz SESPGWSAUBKXSU-CWRNSKLLSA-N 2 0 276.424 2.950 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423107655 238203571 /nfs/dbraw/zinc/20/35/71/238203571.db2.gz LFPCHMPHNQETAS-UHDSXZAQSA-N 2 0 280.456 2.559 20 0 CFADRP COCC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000423106784 238203675 /nfs/dbraw/zinc/20/36/75/238203675.db2.gz DGFSQMWXUBACBR-CZUORRHYSA-N 2 0 293.455 2.951 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423105263 238204801 /nfs/dbraw/zinc/20/48/01/238204801.db2.gz YUOIVHDNIZODDG-OIISXLGYSA-N 2 0 294.414 2.805 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423281000 283587204 /nfs/dbraw/zinc/58/72/04/283587204.db2.gz VFZHJORSUBHDHN-RYUDHWBXSA-N 2 0 252.427 2.915 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[NH3+])C2)cc1F ZINC000423112263 238206464 /nfs/dbraw/zinc/20/64/64/238206464.db2.gz JMBSMZRZYINRJS-QHSBEEBCSA-N 2 0 278.371 2.550 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000423114940 238207986 /nfs/dbraw/zinc/20/79/86/238207986.db2.gz MQPOKPWBXMUDQH-IAQYHMDHSA-N 2 0 280.387 2.929 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1OC ZINC000423118767 238210493 /nfs/dbraw/zinc/21/04/93/238210493.db2.gz CEVYOSMWVCJBLS-YPMHNXCESA-N 2 0 280.412 2.790 20 0 CFADRP FC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000684374851 540838124 /nfs/dbraw/zinc/83/81/24/540838124.db2.gz XWDVAPBBSPRWGA-MRXNPFEDSA-N 2 0 276.399 2.990 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423143569 238229841 /nfs/dbraw/zinc/22/98/41/238229841.db2.gz XISKTUUWZGJMIO-HIFRSBDPSA-N 2 0 275.440 2.645 20 0 CFADRP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C(C)(C)C ZINC000670263704 540844413 /nfs/dbraw/zinc/84/44/13/540844413.db2.gz NWMLPHPAUUTKBJ-SJORKVTESA-N 2 0 295.515 2.771 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423144440 238230476 /nfs/dbraw/zinc/23/04/76/238230476.db2.gz GWRAFMNJLFWEKE-XNJJOIOASA-N 2 0 292.398 2.545 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145170 238231875 /nfs/dbraw/zinc/23/18/75/238231875.db2.gz JKZAQHCKZXRPER-CZUORRHYSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145169 238231977 /nfs/dbraw/zinc/23/19/77/238231977.db2.gz JKZAQHCKZXRPER-CJNGLKHVSA-N 2 0 262.372 2.920 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(Cc2cccc(Cl)c2)CC1 ZINC000423151780 238237476 /nfs/dbraw/zinc/23/74/76/238237476.db2.gz DXOBSHFAOBECTQ-HNNXBMFYSA-N 2 0 296.842 2.759 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423155861 238239237 /nfs/dbraw/zinc/23/92/37/238239237.db2.gz RGYRIUKAIBYMLS-BBRMVZONSA-N 2 0 264.388 2.654 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[C@@H](C)O1 ZINC000423174234 238252979 /nfs/dbraw/zinc/25/29/79/238252979.db2.gz BSZBXVWKYNBDFX-HDKMNVHJSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC[NH3+])cnn1-c1cccc(Cl)c1 ZINC000423178992 238257802 /nfs/dbraw/zinc/25/78/02/238257802.db2.gz CNOSBJJRDGPKDF-NSHDSACASA-N 2 0 292.814 2.834 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423184209 238261517 /nfs/dbraw/zinc/26/15/17/238261517.db2.gz NFPCVERDAFARDJ-SWHNLWLKSA-N 2 0 280.456 2.702 20 0 CFADRP CCn1ccnc1[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423157782 238243115 /nfs/dbraw/zinc/24/31/15/238243115.db2.gz VURUUYRGIKUDNC-GLQYFDAESA-N 2 0 270.380 2.698 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423164769 238246437 /nfs/dbraw/zinc/24/64/37/238246437.db2.gz ADWFAMIFVDZNBI-DRPJVOAASA-N 2 0 262.372 2.931 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]CC[C@H]3C)C2)c1 ZINC000423167846 238248669 /nfs/dbraw/zinc/24/86/69/238248669.db2.gz XIYLOQYMVKXJCX-GFOCRRMGSA-N 2 0 288.435 2.919 20 0 CFADRP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[NH3+])CC2 ZINC000423195506 238267794 /nfs/dbraw/zinc/26/77/94/238267794.db2.gz SSSWWHKCSIUXNB-GFCCVEGCSA-N 2 0 283.213 2.683 20 0 CFADRP CC(C)[N@H+](C)CCNc1cc[nH+]c2c(O)cccc12 ZINC000684571138 540869507 /nfs/dbraw/zinc/86/95/07/540869507.db2.gz DNGNQDNWIXFZBP-UHFFFAOYSA-N 2 0 259.353 2.693 20 0 CFADRP CC(C)[C@@H]1CN(c2cc[nH+]c3c(O)cccc23)CC[N@@H+]1C ZINC000684590855 540870596 /nfs/dbraw/zinc/87/05/96/540870596.db2.gz QVRVQZLRZCPKBT-HNNXBMFYSA-N 2 0 285.391 2.717 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCCCCC1 ZINC000423200024 238273965 /nfs/dbraw/zinc/27/39/65/238273965.db2.gz LLENPMAUTJHUFD-BZUAXINKSA-N 2 0 292.467 2.975 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423203356 238275139 /nfs/dbraw/zinc/27/51/39/238275139.db2.gz CHZHLXUQAUFIEI-KGLIPLIRSA-N 2 0 258.409 2.826 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423208533 238278203 /nfs/dbraw/zinc/27/82/03/238278203.db2.gz YXUGBWGQUNPGJN-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423217426 238283382 /nfs/dbraw/zinc/28/33/82/238283382.db2.gz UDTVITAZVZIWTF-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423220083 238284380 /nfs/dbraw/zinc/28/43/80/238284380.db2.gz XWTBGFVTLFIQHY-MNOVXSKESA-N 2 0 254.324 2.615 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@H](C)[NH3+])ccc1SC ZINC000423223241 238286057 /nfs/dbraw/zinc/28/60/57/238286057.db2.gz FOTRORKTMQKXJO-QWRGUYRKSA-N 2 0 268.426 2.805 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423222391 238286874 /nfs/dbraw/zinc/28/68/74/238286874.db2.gz ATVYSAVJIYKIIJ-QWRGUYRKSA-N 2 0 256.340 2.613 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(-c2ccccc2)nn1C ZINC000423243928 238304830 /nfs/dbraw/zinc/30/48/30/238304830.db2.gz GUZQBKLASFIAOR-CABCVRRESA-N 2 0 298.434 2.737 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423247729 238306494 /nfs/dbraw/zinc/30/64/94/238306494.db2.gz LRHCXNSIXJHRGX-NVXWUHKLSA-N 2 0 258.409 2.597 20 0 CFADRP C[C@H]1C[C@@H](NCC[NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000423265906 238323098 /nfs/dbraw/zinc/32/30/98/238323098.db2.gz BJNBBYHZVPGPMT-GOEBONIOSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423254219 238310581 /nfs/dbraw/zinc/31/05/81/238310581.db2.gz XQERBPOVBXTJTD-MNOVXSKESA-N 2 0 254.324 2.615 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423256993 238312986 /nfs/dbraw/zinc/31/29/86/238312986.db2.gz GZJQNLFSQHMMEE-HOTGVXAUSA-N 2 0 298.434 2.913 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000423255878 238313044 /nfs/dbraw/zinc/31/30/44/238313044.db2.gz DCAKUDJORJIUMY-OCCSQVGLSA-N 2 0 250.386 2.937 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423259824 238314778 /nfs/dbraw/zinc/31/47/78/238314778.db2.gz PCVMCUSTYUASJI-CABCVRRESA-N 2 0 275.440 2.793 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423257622 238314930 /nfs/dbraw/zinc/31/49/30/238314930.db2.gz KJJLSMSTNGDJSX-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC000423257665 238315861 /nfs/dbraw/zinc/31/58/61/238315861.db2.gz KPJKWRSWYREEPQ-NEPJUHHUSA-N 2 0 267.804 2.775 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423262069 238316663 /nfs/dbraw/zinc/31/66/63/238316663.db2.gz UEPQQMZDIREDEO-DZGCQCFKSA-N 2 0 292.471 2.987 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)cc1 ZINC000423263039 238320709 /nfs/dbraw/zinc/32/07/09/238320709.db2.gz ALXIOVZDJJSLRO-IRXDYDNUSA-N 2 0 260.425 2.889 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423264368 238321215 /nfs/dbraw/zinc/32/12/15/238321215.db2.gz YKCXALABCSJBPD-SJLPKXTDSA-N 2 0 272.436 2.987 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1O ZINC000423269289 238325974 /nfs/dbraw/zinc/32/59/74/238325974.db2.gz FHAUKXSPKKDDIN-YUTCNCBUSA-N 2 0 278.396 2.569 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)c(C)c1 ZINC000666084841 540929844 /nfs/dbraw/zinc/92/98/44/540929844.db2.gz NFXDOMHNIFZRBD-KBPBESRZSA-N 2 0 262.397 2.748 20 0 CFADRP CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180174056 189241522 /nfs/dbraw/zinc/24/15/22/189241522.db2.gz HMDDAXWIQHSEKE-AYHJJNSGSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccccn2)cc1 ZINC000423292248 238350764 /nfs/dbraw/zinc/35/07/64/238350764.db2.gz METYXLVDNNQOSY-CHWSQXEVSA-N 2 0 255.365 2.952 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000423293740 238351868 /nfs/dbraw/zinc/35/18/68/238351868.db2.gz RZNIXEBRDUKETP-MLGOLLRUSA-N 2 0 284.407 2.681 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423296999 238352979 /nfs/dbraw/zinc/35/29/79/238352979.db2.gz IIAFTKPIUHTLCE-JRPNMDOOSA-N 2 0 250.361 2.634 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423296998 238353886 /nfs/dbraw/zinc/35/38/86/238353886.db2.gz IIAFTKPIUHTLCE-HFAKWTLXSA-N 2 0 250.361 2.634 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH3+] ZINC000423298902 238356870 /nfs/dbraw/zinc/35/68/70/238356870.db2.gz PEEQLSOGHWOTMR-VHSXEESVSA-N 2 0 269.458 2.994 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423301711 238358355 /nfs/dbraw/zinc/35/83/55/238358355.db2.gz UQPFURBUWKAVIJ-ZJUUUORDSA-N 2 0 276.302 2.831 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423302084 238358882 /nfs/dbraw/zinc/35/88/82/238358882.db2.gz GULDWRYTZKZOKP-VXNVDRBHSA-N 2 0 289.242 2.682 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000423325071 238379405 /nfs/dbraw/zinc/37/94/05/238379405.db2.gz PYDLBQGEIUCMAT-LALPHHSUSA-N 2 0 292.423 2.523 20 0 CFADRP Fc1ccc(C[C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)cc1 ZINC000423329641 238380896 /nfs/dbraw/zinc/38/08/96/238380896.db2.gz TVONSOCYVAVILZ-GOSISDBHSA-N 2 0 284.378 2.919 20 0 CFADRP CCC[NH+]1CCC(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158641235 540975549 /nfs/dbraw/zinc/97/55/49/540975549.db2.gz QYXJHOJBPFBQCE-CALCHBBNSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423334763 238386017 /nfs/dbraw/zinc/38/60/17/238386017.db2.gz RDLRBRBRWOSTMD-ZDUSSCGKSA-N 2 0 292.471 2.987 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)c1 ZINC000423337101 238387696 /nfs/dbraw/zinc/38/76/96/238387696.db2.gz ACOJJMRDQOMZGF-ZDUSSCGKSA-N 2 0 260.381 2.574 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423315867 238370788 /nfs/dbraw/zinc/37/07/88/238370788.db2.gz JESCIYRGFXCKSN-INTQDDNPSA-N 2 0 270.829 2.703 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000390770685 540982687 /nfs/dbraw/zinc/98/26/87/540982687.db2.gz IYJLDCZNYYFLOM-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP COCC[NH2+]CCN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000423318991 238371384 /nfs/dbraw/zinc/37/13/84/238371384.db2.gz BZSDQSPJKNXFKX-HNNXBMFYSA-N 2 0 284.831 2.863 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]CCCC[NH3+])cc1F ZINC000423320786 238371970 /nfs/dbraw/zinc/37/19/70/238371970.db2.gz DSRFNJAXHFUZRR-JTQLQIEISA-N 2 0 256.390 2.937 20 0 CFADRP C[C@H](C[NH3+])N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423320507 238372628 /nfs/dbraw/zinc/37/26/28/238372628.db2.gz GSTAVHHISYRYGP-NOZJJQNGSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(F)c1 ZINC000423321091 238374495 /nfs/dbraw/zinc/37/44/95/238374495.db2.gz GCKHISCSCMUTLB-SWLSCSKDSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423349039 238398092 /nfs/dbraw/zinc/39/80/92/238398092.db2.gz VRXDRQXSGPQGJC-XKQJLSEDSA-N 2 0 256.393 2.688 20 0 CFADRP CC[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1C[C@@H]1C ZINC000666120657 540999922 /nfs/dbraw/zinc/99/99/22/540999922.db2.gz UABQAIZTZDBAEN-ZNMIVQPWSA-N 2 0 288.439 2.680 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180544821 189261429 /nfs/dbraw/zinc/26/14/29/189261429.db2.gz IBFHZIZQKISHQA-ZBFHGGJFSA-N 2 0 276.424 2.700 20 0 CFADRP COCC1(C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC[NH2+]CC1 ZINC000423410553 238445161 /nfs/dbraw/zinc/44/51/61/238445161.db2.gz SBSLDCAQIXNQAN-ZDUSSCGKSA-N 2 0 282.472 2.663 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000423470611 238477491 /nfs/dbraw/zinc/47/74/91/238477491.db2.gz LMGAIMIODOIUTG-SCRDCRAPSA-N 2 0 278.396 2.569 20 0 CFADRP c1ccc(C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423535621 238517770 /nfs/dbraw/zinc/51/77/70/238517770.db2.gz DSLLXBJZRPMLOZ-SFHVURJKSA-N 2 0 270.420 2.907 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000183286204 189353277 /nfs/dbraw/zinc/35/32/77/189353277.db2.gz LBHMTNQHFXCUEA-CQSZACIVSA-N 2 0 276.424 2.702 20 0 CFADRP CC[N@H+](CCC(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666635680 541124982 /nfs/dbraw/zinc/12/49/82/541124982.db2.gz XFONWMUKUJAYIQ-MNOVXSKESA-N 2 0 252.324 2.649 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC[NH2+]1 ZINC000666689019 541132308 /nfs/dbraw/zinc/13/23/08/541132308.db2.gz KFGGEXVOYTZYDY-JKIFEVAISA-N 2 0 274.408 2.917 20 0 CFADRP [NH3+]C1(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCCC1 ZINC000666802883 541145352 /nfs/dbraw/zinc/14/53/52/541145352.db2.gz LIIKAQOEHVRPOE-IAGOWNOFSA-N 2 0 287.451 2.731 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1c(F)cncc1F ZINC000671770866 541146841 /nfs/dbraw/zinc/14/68/41/541146841.db2.gz NVMWZUBAYNOSBJ-WDEREUQCSA-N 2 0 283.366 2.741 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc2cccnc12 ZINC000666856383 541152802 /nfs/dbraw/zinc/15/28/02/541152802.db2.gz GCWFKIRWLXNXQT-MRXNPFEDSA-N 2 0 269.392 2.775 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C2 ZINC000666857998 541153592 /nfs/dbraw/zinc/15/35/92/541153592.db2.gz SLGVFHMUWMNDJB-LSDHHAIUSA-N 2 0 264.800 2.539 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2c1 ZINC000666743574 541137464 /nfs/dbraw/zinc/13/74/64/541137464.db2.gz DNNMQVNVFZFQJP-WFASDCNBSA-N 2 0 258.365 2.958 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950940 541165295 /nfs/dbraw/zinc/16/52/95/541165295.db2.gz RTOLVTASZAMDKG-CYBMUJFWSA-N 2 0 282.334 2.520 20 0 CFADRP Brc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950934 541165535 /nfs/dbraw/zinc/16/55/35/541165535.db2.gz RGNPHQCYOOYYIW-CYBMUJFWSA-N 2 0 295.224 2.681 20 0 CFADRP FC(F)COc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952103 541166014 /nfs/dbraw/zinc/16/60/14/541166014.db2.gz FYJJMIHSKLWFRW-CQSZACIVSA-N 2 0 296.361 2.562 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953905 541166408 /nfs/dbraw/zinc/16/64/08/541166408.db2.gz KRBLDZHDDINVHA-DYVFJYSZSA-N 2 0 298.434 2.616 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CC(C)(C)C1 ZINC000666954266 541166602 /nfs/dbraw/zinc/16/66/02/541166602.db2.gz SUGCPMPWXJIKES-MCIONIFRSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CC34CC[NH2+]CC4)ccc2n1 ZINC000666953952 541166712 /nfs/dbraw/zinc/16/67/12/541166712.db2.gz LRZZVHHDGQQUSA-KRWDZBQOSA-N 2 0 281.403 2.775 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)C2 ZINC000666995497 541171272 /nfs/dbraw/zinc/17/12/72/541171272.db2.gz PFZIUJDEHQKHBK-IAGOWNOFSA-N 2 0 270.420 2.808 20 0 CFADRP COCC(C)(C)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000426403877 239218559 /nfs/dbraw/zinc/21/85/59/239218559.db2.gz XRORUFJSSVPWBQ-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@@H](C)N3CC[NH+](C)CC3)c2c1 ZINC000302138929 201359568 /nfs/dbraw/zinc/35/95/68/201359568.db2.gz CRFMJTZMZZNUMI-OAHLLOKOSA-N 2 0 298.434 2.591 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@H](C)N3CC[NH+](C)CC3)c2c1 ZINC000302138927 201360342 /nfs/dbraw/zinc/36/03/42/201360342.db2.gz CRFMJTZMZZNUMI-HNNXBMFYSA-N 2 0 298.434 2.591 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](Cc1cnc3n1CCC3)C2 ZINC000667597007 541265493 /nfs/dbraw/zinc/26/54/93/541265493.db2.gz ZWOAEOHHMANGAH-UHFFFAOYSA-N 2 0 297.402 2.786 20 0 CFADRP Cc1c[nH+]ccc1NCC1([NH+](C)C)CCCCCC1 ZINC000427986381 239356051 /nfs/dbraw/zinc/35/60/51/239356051.db2.gz ZMLDHJINVYPCNI-UHFFFAOYSA-N 2 0 261.413 2.878 20 0 CFADRP Cc1ncsc1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000667712567 541297147 /nfs/dbraw/zinc/29/71/47/541297147.db2.gz JNWYMZGRZOVJSO-IYBDPMFKSA-N 2 0 299.443 2.770 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000075801828 541284334 /nfs/dbraw/zinc/28/43/34/541284334.db2.gz QEYVXZCONSYBAU-CYBMUJFWSA-N 2 0 262.397 2.515 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1)C1CCCCC1 ZINC000667767657 541308392 /nfs/dbraw/zinc/30/83/92/541308392.db2.gz PVBINUYXVQITIG-NVXWUHKLSA-N 2 0 280.456 2.798 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667902133 541337283 /nfs/dbraw/zinc/33/72/83/541337283.db2.gz BJSGWTZMALDMFU-REEYDVFISA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H]1[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000494920277 291309492 /nfs/dbraw/zinc/30/94/92/291309492.db2.gz GATWNFZGFZQOEX-ZVDSWSACSA-N 2 0 252.446 2.989 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000668159165 541389805 /nfs/dbraw/zinc/38/98/05/541389805.db2.gz MJUJDBMESUQNRW-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](CCC(C)(C)C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116607 240104684 /nfs/dbraw/zinc/10/46/84/240104684.db2.gz LJTYBFZDZCBMTF-CQSZACIVSA-N 2 0 297.487 2.521 20 0 CFADRP CCCC[C@H](CC)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433134597 240109010 /nfs/dbraw/zinc/10/90/10/240109010.db2.gz RLTAWQYKSNEOAJ-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCN1CCOCC1 ZINC000433282338 240135921 /nfs/dbraw/zinc/13/59/21/240135921.db2.gz MQBZKDJDJOCPQU-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CCSc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000435372571 240305768 /nfs/dbraw/zinc/30/57/68/240305768.db2.gz KGNFJPWIBMMGBV-AWEZNQCLSA-N 2 0 264.438 2.969 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cc2c1 ZINC000435373424 240306033 /nfs/dbraw/zinc/30/60/33/240306033.db2.gz NIFBRCYFJWRMSJ-NWDGAFQWSA-N 2 0 274.364 2.611 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000435372797 240306445 /nfs/dbraw/zinc/30/64/45/240306445.db2.gz SPBSNFMPLIIATE-JSGCOSHPSA-N 2 0 264.438 2.968 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000435373582 240306669 /nfs/dbraw/zinc/30/66/69/240306669.db2.gz VFJZRFJPPHDDNT-VXGBXAGGSA-N 2 0 274.364 2.611 20 0 CFADRP CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435371405 240307481 /nfs/dbraw/zinc/30/74/81/240307481.db2.gz MRZFXNHHTVYUBT-QGZVFWFLSA-N 2 0 298.434 2.836 20 0 CFADRP CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435368728 240307599 /nfs/dbraw/zinc/30/75/99/240307599.db2.gz BVHVWHHEHNIHCZ-KRWDZBQOSA-N 2 0 298.434 2.836 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000435379863 240308031 /nfs/dbraw/zinc/30/80/31/240308031.db2.gz KTQBBRQNRGRGST-CQSZACIVSA-N 2 0 290.411 2.783 20 0 CFADRP CC[N@H+](CCOCCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435622469 240333064 /nfs/dbraw/zinc/33/30/64/240333064.db2.gz DJHCTHONEVJTCX-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C(C)(C)C)C2)CC1 ZINC000672603732 541443381 /nfs/dbraw/zinc/44/33/81/541443381.db2.gz PMNYLVHWDJAMAP-BHYGNILZSA-N 2 0 293.499 2.569 20 0 CFADRP C[N@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435446057 240314897 /nfs/dbraw/zinc/31/48/97/240314897.db2.gz JAUUNSLUZKNAAU-CYBMUJFWSA-N 2 0 284.350 2.862 20 0 CFADRP CCOc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435438267 240316132 /nfs/dbraw/zinc/31/61/32/240316132.db2.gz OULYIMWZMTYYFH-OAHLLOKOSA-N 2 0 292.423 2.668 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487575041 541453270 /nfs/dbraw/zinc/45/32/70/541453270.db2.gz OGBDPNXBNXIOJS-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000437776704 240593687 /nfs/dbraw/zinc/59/36/87/240593687.db2.gz RQNCEXZPLPTTJM-NFOMZHRRSA-N 2 0 289.423 2.572 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166478656 541459039 /nfs/dbraw/zinc/45/90/39/541459039.db2.gz DHLAMJORQDELLY-DLBZAZTESA-N 2 0 281.488 2.715 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442804256 241002477 /nfs/dbraw/zinc/00/24/77/241002477.db2.gz VZMQFTJYPYXQMU-CJNGLKHVSA-N 2 0 271.408 2.640 20 0 CFADRP CCO[C@@H](C)c1nc(CN2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443056946 241032665 /nfs/dbraw/zinc/03/26/65/241032665.db2.gz DULWCDRPKYBVIF-QWHCGFSZSA-N 2 0 297.468 2.801 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CCC2(F)CCC2)cc1 ZINC000673611698 541495494 /nfs/dbraw/zinc/49/54/94/541495494.db2.gz DNITVWRFJOURHZ-UHFFFAOYSA-N 2 0 294.414 2.999 20 0 CFADRP CC(C)(C)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1O ZINC000444607646 241155187 /nfs/dbraw/zinc/15/51/87/241155187.db2.gz JLMBUUBLUJTRPB-JKSUJKDBSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCOCC2CCC2)CC1 ZINC000445435012 241216017 /nfs/dbraw/zinc/21/60/17/241216017.db2.gz DAKZBIAUQHTABM-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558565 241384271 /nfs/dbraw/zinc/38/42/71/241384271.db2.gz QCMGZSYRYLVDAF-CYBMUJFWSA-N 2 0 296.455 2.571 20 0 CFADRP CN(C)c1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887157 241337003 /nfs/dbraw/zinc/33/70/03/241337003.db2.gz OSVRBIPUFRGRCT-UHFFFAOYSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@]1(CN2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261896142 291380159 /nfs/dbraw/zinc/38/01/59/291380159.db2.gz VBKFLMJHKMJQTR-SFHVURJKSA-N 2 0 293.499 2.574 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)CC(C)(C)C ZINC000449223007 241774501 /nfs/dbraw/zinc/77/45/01/241774501.db2.gz NLANPGPFCYYUDR-KBPBESRZSA-N 2 0 258.450 2.758 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000423538298 283937615 /nfs/dbraw/zinc/93/76/15/283937615.db2.gz FYZVYRNMKLEMBR-XBVQOTNRSA-N 2 0 273.424 2.901 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCC3(CO)CC3)CC2)C1 ZINC000449579360 242044057 /nfs/dbraw/zinc/04/40/57/242044057.db2.gz FIHSYYMSEAGDAR-RDJZCZTQSA-N 2 0 294.483 2.782 20 0 CFADRP CCOC(=O)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)o1 ZINC000449528755 242007134 /nfs/dbraw/zinc/00/71/34/242007134.db2.gz RSOPWPUUHAYLNY-UHFFFAOYSA-N 2 0 296.411 2.666 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)[C@H](C)O ZINC000449538669 242012567 /nfs/dbraw/zinc/01/25/67/242012567.db2.gz HNLTXJCMDKIOEJ-DIECFANBSA-N 2 0 282.472 2.779 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCCC2)[C@@H](C)C1 ZINC000449742804 242131266 /nfs/dbraw/zinc/13/12/66/242131266.db2.gz RGNQZXYJRJXXSU-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOC(C)(C)C)C1 ZINC000674910049 541606734 /nfs/dbraw/zinc/60/67/34/541606734.db2.gz YSXKNMDGLLOTTQ-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP CCOCC[N@@H+]1CCN(c2cc[nH+]c(CC)c2)C[C@@H]1CC ZINC000450311069 242351268 /nfs/dbraw/zinc/35/12/68/242351268.db2.gz GNUIAKQNWJVJQI-INIZCTEOSA-N 2 0 291.439 2.581 20 0 CFADRP CCc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000450343342 242366869 /nfs/dbraw/zinc/36/68/69/242366869.db2.gz DISVZDRQLXDARU-CQSZACIVSA-N 2 0 259.397 2.566 20 0 CFADRP CCc1cc(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000450458016 242431032 /nfs/dbraw/zinc/43/10/32/242431032.db2.gz SZIMUTKTTFWHSB-JKSUJKDBSA-N 2 0 291.464 2.660 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040834 296113938 /nfs/dbraw/zinc/11/39/38/296113938.db2.gz ICCYWJKHLFLNSX-GYXIZQIFSA-N 3 0 293.499 2.747 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422874401 296121618 /nfs/dbraw/zinc/12/16/18/296121618.db2.gz CSUAEKMAQBPHIP-IAGOWNOFSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675750167 541688468 /nfs/dbraw/zinc/68/84/68/541688468.db2.gz SGNUZWWXEHMDDR-IAGOWNOFSA-N 3 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+]CCOc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000675772260 541691379 /nfs/dbraw/zinc/69/13/79/541691379.db2.gz WSAJDGPQHWVYNB-ZDUSSCGKSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@@H]([NH2+]CCOc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000675765777 541689429 /nfs/dbraw/zinc/68/94/29/541689429.db2.gz QVVXLOQIIGRIAJ-CYBMUJFWSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)c1 ZINC000247187226 296122261 /nfs/dbraw/zinc/12/22/61/296122261.db2.gz VPMBEENAXNMOQZ-BZUAXINKSA-N 2 0 292.471 2.829 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CCN1CCC(OC)CC1 ZINC000675776599 541691965 /nfs/dbraw/zinc/69/19/65/541691965.db2.gz BWZOZTKGYOHQKK-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP COC1CCN(CC[NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000675776915 541692418 /nfs/dbraw/zinc/69/24/18/541692418.db2.gz PPKJJGMLPWSRCU-KSSFIOAISA-N 2 0 288.435 2.935 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000453052226 243375922 /nfs/dbraw/zinc/37/59/22/243375922.db2.gz CCLAJDDBKDCHSM-LSDHHAIUSA-N 2 0 278.444 2.508 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1ccncc1 ZINC000453058445 243381312 /nfs/dbraw/zinc/38/13/12/243381312.db2.gz JKFIPHOQITVJFH-ZBFHGGJFSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CC1)C1CCC1)C[NH+]1CCCC1 ZINC000453061311 243383221 /nfs/dbraw/zinc/38/32/21/243383221.db2.gz NTXNMWYIZHJCTA-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453067070 243385755 /nfs/dbraw/zinc/38/57/55/243385755.db2.gz RLYNMWDUFSUCPB-OAHLLOKOSA-N 2 0 272.436 2.865 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cs1 ZINC000453074281 243390120 /nfs/dbraw/zinc/39/01/20/243390120.db2.gz GYPGJSVIOQDYDS-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)C(C)(C)C ZINC000453092728 243398969 /nfs/dbraw/zinc/39/89/69/243398969.db2.gz NYYYNKIAEOKVES-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP c1cc(C2CCCC2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000675895477 541703974 /nfs/dbraw/zinc/70/39/74/541703974.db2.gz LRLDKZQNBJQJKV-QZTJIDSGSA-N 2 0 270.420 2.995 20 0 CFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423101628 296133041 /nfs/dbraw/zinc/13/30/41/296133041.db2.gz WDYBUHVIXACJSL-DJIMGWMZSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415089823 296133558 /nfs/dbraw/zinc/13/35/58/296133558.db2.gz XCTHSSDFUBENHQ-CABCVRRESA-N 2 0 260.425 2.942 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000228344900 189792821 /nfs/dbraw/zinc/79/28/21/189792821.db2.gz ATKSXQHQMZNBPT-ARFHVFGLSA-N 2 0 291.439 2.524 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cnn1C(C)(C)C ZINC000276570784 193385203 /nfs/dbraw/zinc/38/52/03/193385203.db2.gz TYZXOQGSMUOZTQ-ZDUSSCGKSA-N 2 0 290.455 2.859 20 0 CFADRP CCC(CC)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000676901701 541804361 /nfs/dbraw/zinc/80/43/61/541804361.db2.gz FSAABRWDFZZBKQ-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459351337 245151598 /nfs/dbraw/zinc/15/15/98/245151598.db2.gz GHQOSUSZALKUAC-FHERZECASA-N 2 0 268.445 2.606 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](C2CC2)CC1 ZINC000459424097 245175478 /nfs/dbraw/zinc/17/54/78/245175478.db2.gz IHCGPMQYZIEGQH-GOSISDBHSA-N 2 0 293.499 2.857 20 0 CFADRP FC(F)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459506318 245202824 /nfs/dbraw/zinc/20/28/24/245202824.db2.gz PPJLQLVTVQDGEK-UHFFFAOYSA-N 2 0 281.350 2.685 20 0 CFADRP FC1(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000459564299 245220578 /nfs/dbraw/zinc/22/05/78/245220578.db2.gz QIWQRJSTAWORLU-UHFFFAOYSA-N 2 0 277.387 2.922 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C12CCC2 ZINC000459658502 245262875 /nfs/dbraw/zinc/26/28/75/245262875.db2.gz KPGZEXATIHWBQD-VBNZEHGJSA-N 2 0 285.391 2.628 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658548 245263183 /nfs/dbraw/zinc/26/31/83/245263183.db2.gz KWIGDCBNXYTOLF-CJNGLKHVSA-N 2 0 273.380 2.629 20 0 CFADRP c1ccc2c(c1)CCCN2CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677237900 541837492 /nfs/dbraw/zinc/83/74/92/541837492.db2.gz QITHRVXLQSYHPE-MSOLQXFVSA-N 2 0 299.462 2.656 20 0 CFADRP COCc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459731185 245290655 /nfs/dbraw/zinc/29/06/55/245290655.db2.gz KUIPQKDJKKTRIH-MRXNPFEDSA-N 2 0 276.424 2.655 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@H+](C)CCc1cncn1C ZINC000459770874 245315411 /nfs/dbraw/zinc/31/54/11/245315411.db2.gz SSGYDZHHESHYIK-CYBMUJFWSA-N 2 0 275.371 2.665 20 0 CFADRP CSCc1cnc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459798777 245331646 /nfs/dbraw/zinc/33/16/46/245331646.db2.gz XXNJSJRUFJSRQQ-GFCCVEGCSA-N 2 0 299.509 2.828 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000462807616 245390835 /nfs/dbraw/zinc/39/08/35/245390835.db2.gz YGFGOKDDKBQRJO-YOEHRIQHSA-N 2 0 258.409 2.802 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000019843435 372198541 /nfs/dbraw/zinc/19/85/41/372198541.db2.gz HSSGTGKYPGMINO-GFCCVEGCSA-N 2 0 288.313 2.756 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000036908678 372609890 /nfs/dbraw/zinc/60/98/90/372609890.db2.gz ZNPGIWLEHAUWCO-IOASZLSFSA-N 2 0 264.388 2.687 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000036907635 372610442 /nfs/dbraw/zinc/61/04/42/372610442.db2.gz JHFPQUQGAGURGX-NUJGCVRESA-N 2 0 289.467 2.831 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000037051796 372641033 /nfs/dbraw/zinc/64/10/33/372641033.db2.gz DWRHKOLNKGSZCE-AWEZNQCLSA-N 2 0 290.455 2.696 20 0 CFADRP c1cc(N2CCC([NH2+]CC3CCCC3)CC2)cc[nH+]1 ZINC000037257469 372662790 /nfs/dbraw/zinc/66/27/90/372662790.db2.gz STNZUMHDJVURLA-UHFFFAOYSA-N 2 0 259.397 2.830 20 0 CFADRP c1cc(N2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc[nH+]1 ZINC000037374253 372663792 /nfs/dbraw/zinc/66/37/92/372663792.db2.gz DYDDFRRYRIGQOX-UHFFFAOYSA-N 2 0 271.408 2.829 20 0 CFADRP c1csc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000037374259 372664604 /nfs/dbraw/zinc/66/46/04/372664604.db2.gz XOGFMUMOJDHJOD-UHFFFAOYSA-N 2 0 273.405 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000037644422 372682479 /nfs/dbraw/zinc/68/24/79/372682479.db2.gz SZSLTDMUKNNNEE-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649009 372684695 /nfs/dbraw/zinc/68/46/95/372684695.db2.gz PERAAGXAVNCYPO-UONOGXRCSA-N 2 0 262.397 2.675 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649355 372685133 /nfs/dbraw/zinc/68/51/33/372685133.db2.gz POGAWRWXMAWKJD-MCIONIFRSA-N 2 0 250.430 2.885 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037679016 372687794 /nfs/dbraw/zinc/68/77/94/372687794.db2.gz LIJNQOXYEPJDDK-OAHLLOKOSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)c(Br)c1 ZINC000037715526 372692918 /nfs/dbraw/zinc/69/29/18/372692918.db2.gz BBNGRYYWIYLRLU-SECBINFHSA-N 2 0 289.192 2.978 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc(SC)cc2)CC1 ZINC000037976736 372742930 /nfs/dbraw/zinc/74/29/30/372742930.db2.gz MWJWMZOJSQJQKX-UHFFFAOYSA-N 2 0 264.438 2.982 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000042437120 372924139 /nfs/dbraw/zinc/92/41/39/372924139.db2.gz UFTDIWSYLUAZPG-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000042395421 372918135 /nfs/dbraw/zinc/91/81/35/372918135.db2.gz CJLGRTXUZGIUNV-UHFFFAOYSA-N 2 0 292.398 2.672 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000045663849 373026964 /nfs/dbraw/zinc/02/69/64/373026964.db2.gz GCCPANDQIVCTHI-SFHVURJKSA-N 2 0 289.467 2.582 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc2ncccc2c1 ZINC000045598424 373023313 /nfs/dbraw/zinc/02/33/13/373023313.db2.gz BSZMJHDQDCRQCX-UHFFFAOYSA-N 2 0 257.381 2.666 20 0 CFADRP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000050225125 373365968 /nfs/dbraw/zinc/36/59/68/373365968.db2.gz UBNYETWLDHUXJW-YHWZYXNKSA-N 2 0 250.411 2.771 20 0 CFADRP CCn1ccnc1C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000051920829 373417556 /nfs/dbraw/zinc/41/75/56/373417556.db2.gz QYVNSPUVBGYYAR-AWEZNQCLSA-N 2 0 266.433 2.503 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000054240108 373509639 /nfs/dbraw/zinc/50/96/39/373509639.db2.gz HAULNBCQLDFMEK-UHFFFAOYSA-N 2 0 266.816 2.814 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000053659055 373484378 /nfs/dbraw/zinc/48/43/78/373484378.db2.gz LEHZKKMICBMHCS-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)ccc1C[NH+](C)C ZINC000636021341 383692105 /nfs/dbraw/zinc/69/21/05/383692105.db2.gz NCVYCRKEKHTPAG-HUUCEWRRSA-N 2 0 298.390 2.522 20 0 CFADRP [NH3+]CCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000057539246 373598022 /nfs/dbraw/zinc/59/80/22/373598022.db2.gz PSTUFZQHMVGKJR-UHFFFAOYSA-N 2 0 252.789 2.868 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000057994281 373620254 /nfs/dbraw/zinc/62/02/54/373620254.db2.gz KQPROUCDLRXOPK-GFCCVEGCSA-N 2 0 252.427 2.878 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000057994261 373621011 /nfs/dbraw/zinc/62/10/11/373621011.db2.gz WFRYKLFKWJVDFX-LBPRGKRZSA-N 2 0 252.427 2.878 20 0 CFADRP CCc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252882847 220229422 /nfs/dbraw/zinc/22/94/22/220229422.db2.gz ZSFLTIQZGPOYBE-ULQDDVLXSA-N 2 0 258.409 2.808 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000488522658 245874991 /nfs/dbraw/zinc/87/49/91/245874991.db2.gz LGPWYXCCSRRNQJ-KGLIPLIRSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062078393 373746484 /nfs/dbraw/zinc/74/64/84/373746484.db2.gz LSEQNTWPBOSCHF-LSDHHAIUSA-N 2 0 264.413 2.922 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000063159039 373788242 /nfs/dbraw/zinc/78/82/42/373788242.db2.gz GFLFDPVMMFOEJK-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000063165998 373788481 /nfs/dbraw/zinc/78/84/81/373788481.db2.gz AHXGSDCWKPEWBP-UHFFFAOYSA-N 2 0 285.391 2.773 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063197691 373795298 /nfs/dbraw/zinc/79/52/98/373795298.db2.gz GQAPAHPNDCACFT-KRWDZBQOSA-N 2 0 258.409 2.959 20 0 CFADRP CCC(CC)[C@H](CNC1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000336831689 220245539 /nfs/dbraw/zinc/24/55/39/220245539.db2.gz KCAUSPBSIVNMNC-KRWDZBQOSA-N 2 0 281.488 2.569 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000070169583 374134756 /nfs/dbraw/zinc/13/47/56/374134756.db2.gz IHGYQIFBQIOLIV-NSHDSACASA-N 2 0 254.324 2.526 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000070170597 374136178 /nfs/dbraw/zinc/13/61/78/374136178.db2.gz QPXGXKFCJRWXIN-GFCCVEGCSA-N 2 0 291.420 2.964 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000070171647 374137191 /nfs/dbraw/zinc/13/71/91/374137191.db2.gz JAJHPJAKHBSHFU-GXTWGEPZSA-N 2 0 264.438 2.968 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070171168 374137726 /nfs/dbraw/zinc/13/77/26/374137726.db2.gz LWWBOYIQJVAJFE-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000070171617 374137880 /nfs/dbraw/zinc/13/78/80/374137880.db2.gz WIOQTYVXAYQLQZ-AAEUAGOBSA-N 2 0 284.350 2.847 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000490601871 246014215 /nfs/dbraw/zinc/01/42/15/246014215.db2.gz OLGKRMOFNJHTJV-MRXNPFEDSA-N 2 0 272.436 2.997 20 0 CFADRP Cc1cccnc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000071339606 374216435 /nfs/dbraw/zinc/21/64/35/374216435.db2.gz VFKHYHFLSCCRJD-UHFFFAOYSA-N 2 0 282.391 2.544 20 0 CFADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000072948872 374307562 /nfs/dbraw/zinc/30/75/62/374307562.db2.gz GJXSLDKZBMISPQ-UHFFFAOYSA-N 2 0 289.423 2.561 20 0 CFADRP FC(F)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000677900669 541921663 /nfs/dbraw/zinc/92/16/63/541921663.db2.gz XNSDKMZENYZTQZ-GHMZBOCLSA-N 2 0 282.325 2.551 20 0 CFADRP C[C@H](CO)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000678044889 541941153 /nfs/dbraw/zinc/94/11/53/541941153.db2.gz UUZSYVZUPSWQPQ-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1n[nH]cc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000678139507 541960495 /nfs/dbraw/zinc/96/04/95/541960495.db2.gz YSQYOFXJBXGODI-UHFFFAOYSA-N 2 0 290.455 2.806 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)C12CCC2 ZINC000087709043 374827710 /nfs/dbraw/zinc/82/77/10/374827710.db2.gz CLQJJUBCLJGRFQ-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1nc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000088868322 374865019 /nfs/dbraw/zinc/86/50/19/374865019.db2.gz CLONJLOUIXWAKB-AGUYFDCRSA-N 2 0 279.453 2.865 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000089140657 374872496 /nfs/dbraw/zinc/87/24/96/374872496.db2.gz CLOBHTJGRYGTSJ-IAGOWNOFSA-N 2 0 287.451 2.546 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000089549885 374923026 /nfs/dbraw/zinc/92/30/26/374923026.db2.gz XIHYFIHXNJGCME-RKVPGOIHSA-N 2 0 290.451 2.946 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000090177021 374996415 /nfs/dbraw/zinc/99/64/15/374996415.db2.gz MXJGQANHCWFMJH-OMNBBPDLSA-N 2 0 294.414 2.832 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000090585415 375021880 /nfs/dbraw/zinc/02/18/80/375021880.db2.gz OTRGTRGCLNJLRT-SQNIBIBYSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cnn(C)c1 ZINC000090586562 375021981 /nfs/dbraw/zinc/02/19/81/375021981.db2.gz RJGBWWKXRCFKMK-RDJZCZTQSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)CC[N@@H+]1C ZINC000090721618 375025603 /nfs/dbraw/zinc/02/56/03/375025603.db2.gz AFMKUGNNSUPJFG-WCQYABFASA-N 2 0 290.436 2.711 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccnc2)CC1 ZINC000092753101 375148518 /nfs/dbraw/zinc/14/85/18/375148518.db2.gz XIMPAUQXFATFQH-CQSZACIVSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000092746313 375149217 /nfs/dbraw/zinc/14/92/17/375149217.db2.gz PJBFMMAOJFIDRU-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000093006803 375175562 /nfs/dbraw/zinc/17/55/62/375175562.db2.gz PSFVWLWWDYTRFT-UHFFFAOYSA-N 2 0 298.434 2.754 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2CCC[C@H](C)C2)CC1 ZINC000092561133 375123142 /nfs/dbraw/zinc/12/31/42/375123142.db2.gz KNQYHWORHVXZCX-ROUUACIJSA-N 2 0 295.515 2.820 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000092564734 375124638 /nfs/dbraw/zinc/12/46/38/375124638.db2.gz XEPXFDHKIORSIF-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000093063477 375181707 /nfs/dbraw/zinc/18/17/07/375181707.db2.gz GEXZGGGBTQWOCJ-INIZCTEOSA-N 2 0 289.467 2.570 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000092587400 375125979 /nfs/dbraw/zinc/12/59/79/375125979.db2.gz FTGULAWZHMRBPW-GJZGRUSLSA-N 2 0 292.423 2.601 20 0 CFADRP c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451335 375243489 /nfs/dbraw/zinc/24/34/89/375243489.db2.gz DGDMECIZIRIWRG-MELADBBJSA-N 2 0 250.411 2.758 20 0 CFADRP C[N@@H+](CC1=Cc2ccccc2OC1)CC1CC[NH+](C)CC1 ZINC000093088977 375185293 /nfs/dbraw/zinc/18/52/93/375185293.db2.gz VCTHOOUMYAKALM-UHFFFAOYSA-N 2 0 286.419 2.736 20 0 CFADRP C[N@@H+](Cc1cccc2[nH]ccc21)CC1CC[NH+](C)CC1 ZINC000093089344 375186925 /nfs/dbraw/zinc/18/69/25/375186925.db2.gz BAINLYITOZQEGV-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1cccnc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000093159713 375193635 /nfs/dbraw/zinc/19/36/35/375193635.db2.gz MKTJKGHPYBTBEJ-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488569 375254267 /nfs/dbraw/zinc/25/42/67/375254267.db2.gz JTVJHOYBDRYAQJ-HRCADAONSA-N 2 0 268.445 2.702 20 0 CFADRP CCCOc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861203 375322721 /nfs/dbraw/zinc/32/27/21/375322721.db2.gz JWUJSYPUIYZLTQ-UHFFFAOYSA-N 2 0 264.413 2.892 20 0 CFADRP C[N@H+](Cc1ccc(Cl)c(F)c1)CC(C)(C)C[NH3+] ZINC000093861217 375322804 /nfs/dbraw/zinc/32/28/04/375322804.db2.gz VWGFHOPZJYTSGN-UHFFFAOYSA-N 2 0 258.768 2.896 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094950004 375396621 /nfs/dbraw/zinc/39/66/21/375396621.db2.gz JIVHNHKMIOTLEG-GDBMZVCRSA-N 2 0 264.388 2.784 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000094010115 375335022 /nfs/dbraw/zinc/33/50/22/375335022.db2.gz YLRUXUPXBIRKOR-CQSZACIVSA-N 2 0 262.422 2.813 20 0 CFADRP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021289 375335236 /nfs/dbraw/zinc/33/52/36/375335236.db2.gz GNFIHOZNWCWBMC-UHFFFAOYSA-N 2 0 262.372 2.790 20 0 CFADRP CCc1ccccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070131 375338303 /nfs/dbraw/zinc/33/83/03/375338303.db2.gz FLWRUODLPJYWPU-UHFFFAOYSA-N 2 0 276.424 2.579 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094070050 375338826 /nfs/dbraw/zinc/33/88/26/375338826.db2.gz PDUPHPUMUBDIOR-LSDHHAIUSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c(C)s1 ZINC000094070502 375338935 /nfs/dbraw/zinc/33/89/35/375338935.db2.gz JABHZVRXMXUPJY-UHFFFAOYSA-N 2 0 282.453 2.695 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094370361 375357054 /nfs/dbraw/zinc/35/70/54/375357054.db2.gz FORRGEOAKDIEOF-HOTGVXAUSA-N 2 0 298.496 2.505 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000094522316 375364396 /nfs/dbraw/zinc/36/43/96/375364396.db2.gz AMCPACKXSDHFGX-UHFFFAOYSA-N 2 0 288.435 2.894 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000097850698 375585870 /nfs/dbraw/zinc/58/58/70/375585870.db2.gz BTYMCCHBVPFBEX-ZDUSSCGKSA-N 2 0 250.361 2.695 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000501457612 247102282 /nfs/dbraw/zinc/10/22/82/247102282.db2.gz YBEVBNHSECFZJN-UHFFFAOYSA-N 2 0 278.440 2.935 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)CC[N@@H+]1C ZINC000678597459 542048500 /nfs/dbraw/zinc/04/85/00/542048500.db2.gz HHFNKRIEGYLCPW-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000678600691 542050466 /nfs/dbraw/zinc/05/04/66/542050466.db2.gz PVYOULZYEUKSFG-DGCLKSJQSA-N 2 0 260.372 2.884 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000104314119 375778289 /nfs/dbraw/zinc/77/82/89/375778289.db2.gz PDTVFIYFGQXFTE-HNNXBMFYSA-N 2 0 262.397 2.659 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110821686 375832120 /nfs/dbraw/zinc/83/21/20/375832120.db2.gz VQCXOFDJQOUSOO-AWEZNQCLSA-N 2 0 297.240 2.635 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)c2c(C)noc2C)CC1 ZINC000678774959 542068816 /nfs/dbraw/zinc/06/88/16/542068816.db2.gz VIIIQWLZKBEONM-GFCCVEGCSA-N 2 0 279.428 2.859 20 0 CFADRP CCc1nn(C)cc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000678813945 542075271 /nfs/dbraw/zinc/07/52/71/542075271.db2.gz SBXQCCDXGQIQPX-UHFFFAOYSA-N 2 0 292.471 2.536 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000116385620 376184661 /nfs/dbraw/zinc/18/46/61/376184661.db2.gz CGPZIYCTSBUDQG-IAGOWNOFSA-N 2 0 260.425 2.939 20 0 CFADRP C[N@H+](CCCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118843375 376320519 /nfs/dbraw/zinc/32/05/19/376320519.db2.gz HTNPYGRFKTUQTG-QGZVFWFLSA-N 2 0 260.425 2.893 20 0 CFADRP Cc1ccc([C@@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000118953864 376325690 /nfs/dbraw/zinc/32/56/90/376325690.db2.gz CALVZAVOFOAVQR-BPQIPLTHSA-N 2 0 289.467 2.670 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N(C)C)c2)[C@H](C)C1 ZINC000119858292 376490492 /nfs/dbraw/zinc/49/04/92/376490492.db2.gz BUPMSZSCORNNJZ-PBHICJAKSA-N 2 0 275.440 2.573 20 0 CFADRP CC(C)[C@H]1CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678851570 542083886 /nfs/dbraw/zinc/08/38/86/542083886.db2.gz QWAQYBHEZFNCEK-QGZVFWFLSA-N 2 0 276.424 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nccs2)[C@H](C)C1 ZINC000120573177 376642346 /nfs/dbraw/zinc/64/23/46/376642346.db2.gz KKXWLUANLZYEOY-UPJWGTAASA-N 2 0 267.442 2.567 20 0 CFADRP C[C@H]1C[C@@H](NCCC[NH+](C)C2CCCCC2)C[N@@H+]1C1CC1 ZINC000120779487 376692761 /nfs/dbraw/zinc/69/27/61/376692761.db2.gz LTEVLQIUQVBXMB-JKSUJKDBSA-N 2 0 293.499 2.856 20 0 CFADRP C1C[C@@H]2O[C@H]1C[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000121116551 376763687 /nfs/dbraw/zinc/76/36/87/376763687.db2.gz YKMZGPXEEQEVTN-ZACQAIPSSA-N 2 0 278.440 2.693 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000678992640 542106290 /nfs/dbraw/zinc/10/62/90/542106290.db2.gz MSEKDPLGUZCMLS-STQMWFEESA-N 2 0 293.480 2.936 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CC[NH+](C)CC1 ZINC000679078374 542118075 /nfs/dbraw/zinc/11/80/75/542118075.db2.gz LDIQPRSDWSVVCL-QMCVQRASSA-N 2 0 292.467 2.654 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000360987554 284604497 /nfs/dbraw/zinc/60/44/97/284604497.db2.gz QVUJKVWEZIRGDW-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000121674547 376882915 /nfs/dbraw/zinc/88/29/15/376882915.db2.gz IVIYLTFZAFMUMG-PBHICJAKSA-N 2 0 294.414 2.915 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCOc1ccccc1 ZINC000123652868 376963738 /nfs/dbraw/zinc/96/37/38/376963738.db2.gz SQKHDOXOQSQVDB-INIZCTEOSA-N 2 0 264.413 2.761 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1(C)C ZINC000124314785 377038016 /nfs/dbraw/zinc/03/80/16/377038016.db2.gz RRCBMTHRKOSLOL-RRFJBIMHSA-N 2 0 268.445 2.606 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000123938140 376996903 /nfs/dbraw/zinc/99/69/03/376996903.db2.gz IFODKDOYOIOSDK-MAUKXSAKSA-N 3 0 289.467 2.568 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000124525514 377059210 /nfs/dbraw/zinc/05/92/10/377059210.db2.gz RUKLPKOYIYTTNJ-HNNXBMFYSA-N 2 0 293.455 2.512 20 0 CFADRP CC[C@H](C)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000124687047 377077284 /nfs/dbraw/zinc/07/72/84/377077284.db2.gz AUONSGMYGHCOFJ-INIZCTEOSA-N 2 0 275.440 2.587 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)cn2)[C@H](C)C1 ZINC000125763701 377189478 /nfs/dbraw/zinc/18/94/78/377189478.db2.gz JOBFCEDNRLDQOX-GDBMZVCRSA-N 2 0 261.413 2.552 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000125994048 377205749 /nfs/dbraw/zinc/20/57/49/377205749.db2.gz KHHHBBVSDFEBRN-GDBMZVCRSA-N 2 0 290.455 2.508 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529528369 383719862 /nfs/dbraw/zinc/71/98/62/383719862.db2.gz GICOAAWSGHLRPT-HNNXBMFYSA-N 2 0 271.408 2.942 20 0 CFADRP Fc1ccccc1C1=CC[N@H+](CCn2ccnc2)CC1 ZINC000127582276 377290145 /nfs/dbraw/zinc/29/01/45/377290145.db2.gz LWIUIBYWERALFH-UHFFFAOYSA-N 2 0 271.339 2.812 20 0 CFADRP Cc1nccn1CCCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000129017064 377372325 /nfs/dbraw/zinc/37/23/25/377372325.db2.gz BPFBKROHTIWMMI-XHSDSOJGSA-N 2 0 291.439 2.717 20 0 CFADRP C[C@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnc1 ZINC000129564065 377444573 /nfs/dbraw/zinc/44/45/73/377444573.db2.gz KFUDWEJAXDNMDK-QWRGUYRKSA-N 2 0 261.291 2.718 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000349714929 284640282 /nfs/dbraw/zinc/64/02/82/284640282.db2.gz CEJRLPGIZZMKNH-BZUAXINKSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000130279928 377531551 /nfs/dbraw/zinc/53/15/51/377531551.db2.gz VRNGJTSOPLYVSI-SQWLQELKSA-N 2 0 276.424 2.699 20 0 CFADRP CN(CCCn1ccnc1)Cc1ccn(-c2ccccc2)n1 ZINC000130395557 377549351 /nfs/dbraw/zinc/54/93/51/377549351.db2.gz COYKCUBVUUOSAY-UHFFFAOYSA-N 2 0 295.390 2.591 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000130589063 377580165 /nfs/dbraw/zinc/58/01/65/377580165.db2.gz JGCOXOQKMWFFBC-BBWFWOEESA-N 2 0 258.409 2.863 20 0 CFADRP c1cc(C[NH+]2CCCCC2)ccc1C[NH2+]C1CSC1 ZINC000679624678 542214296 /nfs/dbraw/zinc/21/42/96/542214296.db2.gz GYBCUONKRXDSIT-UHFFFAOYSA-N 2 0 276.449 2.878 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000130956507 377637707 /nfs/dbraw/zinc/63/77/07/377637707.db2.gz VIDQWXVIOVGFIG-ZDUSSCGKSA-N 2 0 258.365 2.864 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000131306406 377691930 /nfs/dbraw/zinc/69/19/30/377691930.db2.gz LEVRZUUJFACZJB-CQSZACIVSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000131723504 377752300 /nfs/dbraw/zinc/75/23/00/377752300.db2.gz RAMYGBAHPNFOFJ-GJZGRUSLSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(Br)cc1F ZINC000131904016 377775224 /nfs/dbraw/zinc/77/52/24/377775224.db2.gz QSJWVSDVOSALBB-SECBINFHSA-N 2 0 289.192 2.978 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCNc2ccccc2)CC[N@@H+]1C ZINC000132009480 377789711 /nfs/dbraw/zinc/78/97/11/377789711.db2.gz MZFRWOSZDSNNDB-GOEBONIOSA-N 2 0 261.413 2.561 20 0 CFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)[C@H](C)C1 ZINC000133034024 377896996 /nfs/dbraw/zinc/89/69/96/377896996.db2.gz VFJQSVBFYRWSBM-CRAIPNDOSA-N 3 0 293.499 2.713 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000133366584 377923518 /nfs/dbraw/zinc/92/35/18/377923518.db2.gz RIBJJERAWOKOBS-ROUUACIJSA-N 2 0 293.499 2.526 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000133366370 377923899 /nfs/dbraw/zinc/92/38/99/377923899.db2.gz RIBJJERAWOKOBS-MSOLQXFVSA-N 2 0 293.499 2.526 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC000133077205 377900190 /nfs/dbraw/zinc/90/01/90/377900190.db2.gz KYXUVCPYBPXSSO-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccccc2)C1 ZINC000133089144 377902094 /nfs/dbraw/zinc/90/20/94/377902094.db2.gz YLAXPISGWMLVKI-DOTOQJQBSA-N 2 0 260.425 2.797 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133997443 377973865 /nfs/dbraw/zinc/97/38/65/377973865.db2.gz NTJHFDBVADMYQU-KZNAEPCWSA-N 2 0 293.499 2.594 20 0 CFADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(C)c1O ZINC000134010699 377974778 /nfs/dbraw/zinc/97/47/78/377974778.db2.gz MJCICWLKKURCOI-UHFFFAOYSA-N 2 0 276.424 2.783 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000134200125 377992168 /nfs/dbraw/zinc/99/21/68/377992168.db2.gz FTSXUSKBKPEPCK-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134863587 378055289 /nfs/dbraw/zinc/05/52/89/378055289.db2.gz WAUFAGPPOOWYDW-SQWLQELKSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@H]([NH2+]Cc1cccnc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151082833 378292374 /nfs/dbraw/zinc/29/23/74/378292374.db2.gz IAEBQGHXKTYENH-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCN1C ZINC000151431393 378326817 /nfs/dbraw/zinc/32/68/17/378326817.db2.gz BJUZSZDGCNYTJA-AWEZNQCLSA-N 2 0 297.240 2.941 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+](C)C ZINC000151934370 378374190 /nfs/dbraw/zinc/37/41/90/378374190.db2.gz MPXDZOOFVANATB-MRXNPFEDSA-N 2 0 266.404 2.934 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1F ZINC000152660297 378435851 /nfs/dbraw/zinc/43/58/51/378435851.db2.gz HPSDSZSCNVKEOE-ZDUSSCGKSA-N 2 0 280.387 2.971 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152671074 378437128 /nfs/dbraw/zinc/43/71/28/378437128.db2.gz VYJHENDTFALKCP-PMPSAXMXSA-N 2 0 281.488 2.569 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccs1 ZINC000154263990 378552864 /nfs/dbraw/zinc/55/28/64/378552864.db2.gz AHMSJDIRUIGZOV-HNNXBMFYSA-N 2 0 295.496 2.816 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000154411352 378564378 /nfs/dbraw/zinc/56/43/78/378564378.db2.gz JDJDYOFIGLPAOC-QGZVFWFLSA-N 3 0 281.488 2.525 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C)s1 ZINC000154517837 378573944 /nfs/dbraw/zinc/57/39/44/378573944.db2.gz KHWAGAGBLUOYAH-JQWIXIFHSA-N 2 0 267.442 2.759 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000154573588 378581818 /nfs/dbraw/zinc/58/18/18/378581818.db2.gz ALDUWTCEWZQLGL-NXHRZFHOSA-N 2 0 293.499 2.713 20 0 CFADRP COc1ccc(C)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154826764 378596427 /nfs/dbraw/zinc/59/64/27/378596427.db2.gz YOSVNQFKCXQIGU-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000331391270 378681563 /nfs/dbraw/zinc/68/15/63/378681563.db2.gz QFIBYAIFSAIHLI-GMXVVIOVSA-N 2 0 265.426 2.546 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157084971 378649094 /nfs/dbraw/zinc/64/90/94/378649094.db2.gz UQKKOBPMNGXNJY-MRXNPFEDSA-N 2 0 268.445 2.753 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]CC(CC)(CC)CC)CC1 ZINC000679841118 542242125 /nfs/dbraw/zinc/24/21/25/542242125.db2.gz OOIXOLQZLFSLBD-UHFFFAOYSA-N 2 0 283.504 2.820 20 0 CFADRP FC1(F)CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000334185807 378902249 /nfs/dbraw/zinc/90/22/49/378902249.db2.gz CEQFDIDBGXRMOG-OLZOCXBDSA-N 2 0 258.356 2.781 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000333899591 378876014 /nfs/dbraw/zinc/87/60/14/378876014.db2.gz ZNRPQFIHEMAIBR-XJKCOSOUSA-N 2 0 259.397 2.650 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000162724289 378927592 /nfs/dbraw/zinc/92/75/92/378927592.db2.gz XSFYMUCLLFIACV-GDBMZVCRSA-N 2 0 276.424 2.618 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccncc1 ZINC000162733266 378929856 /nfs/dbraw/zinc/92/98/56/378929856.db2.gz KXIIYSPLYGUNPQ-HZPDHXFCSA-N 2 0 259.397 2.703 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163246030 378960674 /nfs/dbraw/zinc/96/06/74/378960674.db2.gz YXUPIOQXFHLEOW-DGCLKSJQSA-N 2 0 250.411 2.578 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1F ZINC000163381775 378967632 /nfs/dbraw/zinc/96/76/32/378967632.db2.gz PFYULRFPUZZZPT-BXUZGUMPSA-N 2 0 250.361 2.551 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163378211 378967664 /nfs/dbraw/zinc/96/76/64/378967664.db2.gz GYENHNDXVLFJOB-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370656247 296285424 /nfs/dbraw/zinc/28/54/24/296285424.db2.gz BVXKNEGZJJSOLO-VYDXJSESSA-N 2 0 293.499 2.569 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCCNc2ccccn2)C(C)(C)O1 ZINC000163852255 378992930 /nfs/dbraw/zinc/99/29/30/378992930.db2.gz PWGVMOBJVRDMPO-ZDUSSCGKSA-N 2 0 277.412 2.819 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(F)c1F ZINC000335279918 379018657 /nfs/dbraw/zinc/01/86/57/379018657.db2.gz VHSKPMGERLVTGV-BTOWRCTQSA-N 2 0 266.335 2.570 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc(C3CC3)cs1)CC[NH2+]CC2 ZINC000335280585 379019376 /nfs/dbraw/zinc/01/93/76/379019376.db2.gz WNLDCKLKMDUPBE-LBPRGKRZSA-N 2 0 291.464 2.985 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000335299034 379042807 /nfs/dbraw/zinc/04/28/07/379042807.db2.gz DLEBBAUUGVYXKZ-GXTWGEPZSA-N 2 0 263.385 2.508 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)ccc2[nH]1 ZINC000334282448 379029640 /nfs/dbraw/zinc/02/96/40/379029640.db2.gz IAKXLXJGAHZVOU-MLGOLLRUSA-N 2 0 271.408 2.906 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000166053910 379048486 /nfs/dbraw/zinc/04/84/86/379048486.db2.gz QLSJPTOIDZBDMG-UONOGXRCSA-N 2 0 268.401 2.595 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000166037459 379048783 /nfs/dbraw/zinc/04/87/83/379048783.db2.gz LHEQCCJWTDSCSG-BBRMVZONSA-N 2 0 282.403 2.833 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000166023160 379048829 /nfs/dbraw/zinc/04/88/29/379048829.db2.gz IRFBCEOIFWYXDR-WMZOPIPTSA-N 2 0 290.451 2.929 20 0 CFADRP Cc1cnc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000335364471 379165605 /nfs/dbraw/zinc/16/56/05/379165605.db2.gz AGRRQTXDNIKHDO-GOSISDBHSA-N 2 0 287.451 2.659 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccncc1Cl ZINC000334405205 379241406 /nfs/dbraw/zinc/24/14/06/379241406.db2.gz GBIBKRBTFYZFBJ-NEPJUHHUSA-N 2 0 265.788 2.798 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccncc3Cl)C2)C1 ZINC000334427547 379278475 /nfs/dbraw/zinc/27/84/75/379278475.db2.gz XDYHOTRHINHUIC-HNNXBMFYSA-N 2 0 279.815 2.653 20 0 CFADRP c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335499637 379406362 /nfs/dbraw/zinc/40/63/62/379406362.db2.gz IOGNVALNJPEODU-KRWDZBQOSA-N 2 0 256.393 2.963 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000571902163 383737536 /nfs/dbraw/zinc/73/75/36/383737536.db2.gz WHTGADJIHCTZGI-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP Cn1cncc1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000334549830 379507193 /nfs/dbraw/zinc/50/71/93/379507193.db2.gz VGJVWLXJBAIQDQ-UHFFFAOYSA-N 2 0 267.376 2.510 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335634053 379634952 /nfs/dbraw/zinc/63/49/52/379634952.db2.gz LXRYAELSLQIOBS-CHWSQXEVSA-N 2 0 250.411 2.570 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000335669971 379693249 /nfs/dbraw/zinc/69/32/49/379693249.db2.gz KBGFMXYKRGLXQY-RSJDFQLWSA-N 2 0 262.319 2.544 20 0 CFADRP C[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000334664380 379730559 /nfs/dbraw/zinc/73/05/59/379730559.db2.gz XAQRBBRPASDXII-OAHLLOKOSA-N 2 0 285.391 2.514 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174316023 379863258 /nfs/dbraw/zinc/86/32/58/379863258.db2.gz ZWGYNBHCYIIUJY-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@]2(CCCOC2)C1 ZINC000334782278 379920905 /nfs/dbraw/zinc/92/09/05/379920905.db2.gz QWAURICOHMOFFD-IRXDYDNUSA-N 2 0 280.456 2.753 20 0 CFADRP CCn1c2ccc(F)cc2nc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000571936868 383741198 /nfs/dbraw/zinc/74/11/98/383741198.db2.gz INTQYCUPHGUOCG-AAEUAGOBSA-N 2 0 290.386 2.507 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N(C)C)C1 ZINC000174961868 379970296 /nfs/dbraw/zinc/97/02/96/379970296.db2.gz KJLZJPMFEBHMDF-INIZCTEOSA-N 2 0 289.467 2.916 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334852882 379932360 /nfs/dbraw/zinc/93/23/60/379932360.db2.gz BOJMKCWCBDDOEC-OLZOCXBDSA-N 2 0 262.372 2.572 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979835 379950369 /nfs/dbraw/zinc/95/03/69/379950369.db2.gz JSUOLDSZJRUECT-KGLIPLIRSA-N 2 0 292.398 2.574 20 0 CFADRP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCc3c2cccc3Cl)C1 ZINC000334998186 379952521 /nfs/dbraw/zinc/95/25/21/379952521.db2.gz LSRQIUXRRXZDBF-IINYFYTJSA-N 2 0 250.773 2.608 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000335024172 379959813 /nfs/dbraw/zinc/95/98/13/379959813.db2.gz XJGBEMBZGSAHHS-HOCLYGCPSA-N 2 0 262.372 2.935 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1[NH3+] ZINC000335857145 380003834 /nfs/dbraw/zinc/00/38/34/380003834.db2.gz BLVQFRIAYKCQJU-KSSFIOAISA-N 2 0 281.403 2.918 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000335238078 380061248 /nfs/dbraw/zinc/06/12/48/380061248.db2.gz KBLLEFIGVQSXNA-IAGOWNOFSA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC12CCOCC2 ZINC000335253194 380086842 /nfs/dbraw/zinc/08/68/42/380086842.db2.gz QKAAIELPSILXOQ-AWEZNQCLSA-N 2 0 294.826 2.527 20 0 CFADRP COc1ccc2oc(CN3CC[C@H]([NH3+])[C@@H](C)C3)cc2c1 ZINC000335227234 380040141 /nfs/dbraw/zinc/04/01/41/380040141.db2.gz AQLSOHBFGCUJGB-NHYWBVRUSA-N 2 0 274.364 2.611 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000335253954 380088679 /nfs/dbraw/zinc/08/86/79/380088679.db2.gz GEGZVXLPJHCYIO-DLBZAZTESA-N 2 0 292.467 2.677 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CC2CCCCCC2)CC12CCOCC2 ZINC000335259446 380096502 /nfs/dbraw/zinc/09/65/02/380096502.db2.gz URMMMLCEDLILGG-INIZCTEOSA-N 2 0 280.456 2.644 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000335262264 380101033 /nfs/dbraw/zinc/10/10/33/380101033.db2.gz STHQUODAOKBAFK-DGCLKSJQSA-N 2 0 258.365 2.971 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC[C@@H]1C ZINC000335990515 380203594 /nfs/dbraw/zinc/20/35/94/380203594.db2.gz HYMNWJGSNMVENV-LBPRGKRZSA-N 2 0 288.420 2.513 20 0 CFADRP COC(C)(C)C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000176500199 380245369 /nfs/dbraw/zinc/24/53/69/380245369.db2.gz LJAGNQRKHDUIHC-ZBFHGGJFSA-N 2 0 276.424 2.837 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000336021877 380249458 /nfs/dbraw/zinc/24/94/58/380249458.db2.gz QOVZBRYILVFQSC-ZWKOTPCHSA-N 2 0 293.414 2.790 20 0 CFADRP c1csc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000336021879 380249560 /nfs/dbraw/zinc/24/95/60/380249560.db2.gz QQJZQFXKWVXKAP-ZDUSSCGKSA-N 2 0 250.411 2.570 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(-c2ccncc2)c1 ZINC000336022390 380251294 /nfs/dbraw/zinc/25/12/94/380251294.db2.gz QBLOZQFFWDLOPT-RTBURBONSA-N 2 0 293.414 2.790 20 0 CFADRP CCC(=O)CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000571987247 383744053 /nfs/dbraw/zinc/74/40/53/383744053.db2.gz AAVHPVPOWRCGSX-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000336423324 380343913 /nfs/dbraw/zinc/34/39/13/380343913.db2.gz HJIZAHSUCLSXFT-MLGOLLRUSA-N 2 0 262.372 2.874 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1Cl ZINC000336442487 380347111 /nfs/dbraw/zinc/34/71/11/380347111.db2.gz ZCFPOFHKXIPUNA-DGCLKSJQSA-N 2 0 265.788 2.574 20 0 CFADRP COCCC[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000178382794 380445482 /nfs/dbraw/zinc/44/54/82/380445482.db2.gz JPMBRVMUTCSCKW-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3nc(C4CC4)cs3)C2)C1 ZINC000336550798 380453913 /nfs/dbraw/zinc/45/39/13/380453913.db2.gz ACAWCGFUVXGWML-INIZCTEOSA-N 2 0 291.464 2.938 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038348 380403322 /nfs/dbraw/zinc/40/33/22/380403322.db2.gz XITJEGIDMLGSPN-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(C[C@@H](C)[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000178974315 380496169 /nfs/dbraw/zinc/49/61/69/380496169.db2.gz MOMAMSRQWWDMCE-OAHLLOKOSA-N 2 0 260.425 2.857 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178972970 380496733 /nfs/dbraw/zinc/49/67/33/380496733.db2.gz BBVUEYSDUIDIBW-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336786103 380630051 /nfs/dbraw/zinc/63/00/51/380630051.db2.gz GYAIDRUGUVHNLC-OAHLLOKOSA-N 2 0 270.486 2.792 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000336789942 380636545 /nfs/dbraw/zinc/63/65/45/380636545.db2.gz KGBSUKGQHPLCLZ-RRFJBIMHSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1OC(F)F ZINC000336792864 380640193 /nfs/dbraw/zinc/64/01/93/380640193.db2.gz UMRLJCOIPAMPMF-JTQLQIEISA-N 2 0 258.312 2.505 20 0 CFADRP CCN(C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000180270767 380642438 /nfs/dbraw/zinc/64/24/38/380642438.db2.gz VYSWDWFJFAWHMS-CQSZACIVSA-N 2 0 285.435 2.875 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)s1 ZINC000336682463 380590455 /nfs/dbraw/zinc/59/04/55/380590455.db2.gz IBYTUDBDFCXHSI-QMMMGPOBSA-N 2 0 277.231 2.728 20 0 CFADRP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336695155 380596559 /nfs/dbraw/zinc/59/65/59/380596559.db2.gz ACIOSWUPINMRGO-IAGOWNOFSA-N 2 0 258.409 2.850 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000336713319 380605317 /nfs/dbraw/zinc/60/53/17/380605317.db2.gz MSLPKMSRFYPXAO-RDJZCZTQSA-N 2 0 276.424 2.666 20 0 CFADRP Cc1cc(NC[C@@H](C)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000336812371 380673505 /nfs/dbraw/zinc/67/35/05/380673505.db2.gz ABZFBRMAAIXWRB-GFCCVEGCSA-N 2 0 257.381 2.575 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000336818103 380682138 /nfs/dbraw/zinc/68/21/38/380682138.db2.gz UBMHPYSDHNRVKQ-OAHLLOKOSA-N 3 0 269.477 2.748 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000180839598 380704824 /nfs/dbraw/zinc/70/48/24/380704824.db2.gz JULOURIXFWJSSI-QWHCGFSZSA-N 2 0 293.480 2.637 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261986676 296313213 /nfs/dbraw/zinc/31/32/13/296313213.db2.gz JVSINBWEQUIWDW-KURKYZTESA-N 2 0 293.499 2.572 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCCC2)[C@H]2CCCO[C@@H]21 ZINC000181516782 380812781 /nfs/dbraw/zinc/81/27/81/380812781.db2.gz IGEBQSHDZLBVLO-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000341181082 380816923 /nfs/dbraw/zinc/81/69/23/380816923.db2.gz FNAVABYBJBQAMY-RMKNXTFCSA-N 2 0 258.409 2.973 20 0 CFADRP C1CC(C([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CCC2)C1 ZINC000400982180 380866927 /nfs/dbraw/zinc/86/69/27/380866927.db2.gz UWLCRXNQOYXMGC-HRCADAONSA-N 2 0 262.441 2.933 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)o1 ZINC000400962802 380867381 /nfs/dbraw/zinc/86/73/81/380867381.db2.gz CDYRBSXJDRKZRP-PMOUVXMZSA-N 2 0 262.397 2.935 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000347012409 380877759 /nfs/dbraw/zinc/87/77/59/380877759.db2.gz HODXRWWQICHCKE-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1scc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000399975705 380851252 /nfs/dbraw/zinc/85/12/52/380851252.db2.gz CXLUJNUPFKREEQ-YGRLFVJLSA-N 2 0 252.427 2.937 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346993852 380857221 /nfs/dbraw/zinc/85/72/21/380857221.db2.gz AVXNWINEVGNYMG-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400439504 380858920 /nfs/dbraw/zinc/85/89/20/380858920.db2.gz MASDZTRFFAQDPA-ZBFHGGJFSA-N 2 0 271.408 2.762 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000346995660 380861004 /nfs/dbraw/zinc/86/10/04/380861004.db2.gz BSGOWFLDQGXUSX-GOEBONIOSA-N 2 0 298.434 2.944 20 0 CFADRP COc1ccccc1/C=C/C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000347089435 380928720 /nfs/dbraw/zinc/92/87/20/380928720.db2.gz DXQPTQFQHMLTOI-DYLGSBMWSA-N 2 0 274.408 2.768 20 0 CFADRP C[C@H](CC1CCOCC1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347086265 380929585 /nfs/dbraw/zinc/92/95/85/380929585.db2.gz BZVNTKCURXKTIH-OAHLLOKOSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000181739911 380881712 /nfs/dbraw/zinc/88/17/12/380881712.db2.gz TVLSUKBNSBUQRX-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])CC(F)(F)F ZINC000402548576 380887830 /nfs/dbraw/zinc/88/78/30/380887830.db2.gz DBUCVUXRCWKKIY-DCAQKATOSA-N 2 0 252.324 2.682 20 0 CFADRP CC(C)COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000347034043 380892608 /nfs/dbraw/zinc/89/26/08/380892608.db2.gz BUXZJRFNPXLABC-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP CCC[N@H+](Cc1ccc(OC)c(C)c1)C1CC[NH2+]CC1 ZINC000347032233 380893458 /nfs/dbraw/zinc/89/34/58/380893458.db2.gz ZNFFRQKVWNKPCK-UHFFFAOYSA-N 2 0 276.424 2.968 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000347094044 380932290 /nfs/dbraw/zinc/93/22/90/380932290.db2.gz HNTSJVVDCNJQPM-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000347047986 380904211 /nfs/dbraw/zinc/90/42/11/380904211.db2.gz PHISUTZKFYHNNY-AWEZNQCLSA-N 2 0 284.407 2.556 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347068072 380918652 /nfs/dbraw/zinc/91/86/52/380918652.db2.gz NKVVBCBKQXOHQA-MRXNPFEDSA-N 2 0 281.403 2.919 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353909750 380949748 /nfs/dbraw/zinc/94/97/48/380949748.db2.gz BOFXFRVYVPDTAS-LSDHHAIUSA-N 2 0 295.515 2.673 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347117359 380952285 /nfs/dbraw/zinc/95/22/85/380952285.db2.gz UKWACPVLDILRHK-OAHLLOKOSA-N 2 0 262.397 2.646 20 0 CFADRP CCC[N@H+](Cc1sc(C)nc1C)C1CC[NH2+]CC1 ZINC000347120939 380955149 /nfs/dbraw/zinc/95/51/49/380955149.db2.gz ZECNLXYIHBPHKA-UHFFFAOYSA-N 2 0 267.442 2.724 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000182027802 380967673 /nfs/dbraw/zinc/96/76/73/380967673.db2.gz BSNPJPJQEHYYDN-CABCVRRESA-N 2 0 296.455 2.524 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1F ZINC000182035968 380970641 /nfs/dbraw/zinc/97/06/41/380970641.db2.gz USRLVBLHGFVWLF-TZMCWYRMSA-N 2 0 280.387 2.969 20 0 CFADRP Cc1cccnc1C1(C[NH2+]Cc2cnccc2N(C)C)CC1 ZINC000368261312 380973530 /nfs/dbraw/zinc/97/35/30/380973530.db2.gz PKNZHBKQXGQORA-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000368265211 380975651 /nfs/dbraw/zinc/97/56/51/380975651.db2.gz RCUWXYRDYXYPGA-BZUAXINKSA-N 2 0 287.451 2.740 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000353947881 380978679 /nfs/dbraw/zinc/97/86/79/380978679.db2.gz PUNLHPYUUPLIPN-QWRGUYRKSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@H]([NH2+]CCOC1CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347217587 381009073 /nfs/dbraw/zinc/00/90/73/381009073.db2.gz HCCZIZADHSFNQS-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000347223052 381013728 /nfs/dbraw/zinc/01/37/28/381013728.db2.gz UWBOAPMNYZRCKC-IHLSZERJSA-N 2 0 262.372 2.898 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC000368425433 381021209 /nfs/dbraw/zinc/02/12/09/381021209.db2.gz FFUPTMWWFCKXOT-SJORKVTESA-N 2 0 293.499 2.667 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC000368425432 381021467 /nfs/dbraw/zinc/02/14/67/381021467.db2.gz FFUPTMWWFCKXOT-IRXDYDNUSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000049267777 412937878 /nfs/dbraw/zinc/93/78/78/412937878.db2.gz YSPVJUYLEUXUFF-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CCc1nc(C)cc(NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000287999726 380990241 /nfs/dbraw/zinc/99/02/41/380990241.db2.gz VQOSVZNMXFMMDE-CQSZACIVSA-N 2 0 276.428 2.737 20 0 CFADRP CC(C)Oc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347187875 380991333 /nfs/dbraw/zinc/99/13/33/380991333.db2.gz CRUARCWXKWOWJP-MRXNPFEDSA-N 2 0 274.408 2.800 20 0 CFADRP CCC(CC)[C@H](C[NH2+]C1CC(OC)C1)N1CCCC1 ZINC000347194183 380996131 /nfs/dbraw/zinc/99/61/31/380996131.db2.gz RWBGXNXAVYYPHB-GPANFISMSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000347306298 381059863 /nfs/dbraw/zinc/05/98/63/381059863.db2.gz RQWUWALUNHMRGC-UHFFFAOYSA-N 2 0 291.439 2.809 20 0 CFADRP CCC(CC)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000354077282 381062487 /nfs/dbraw/zinc/06/24/87/381062487.db2.gz CYGCHFYCRQKDJX-INIZCTEOSA-N 2 0 270.461 2.855 20 0 CFADRP Cc1ccncc1CCC[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000368565255 381066070 /nfs/dbraw/zinc/06/60/70/381066070.db2.gz BVXPUMNWYBKPFR-UHFFFAOYSA-N 3 0 287.451 2.883 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C)c1O ZINC000347322202 381068105 /nfs/dbraw/zinc/06/81/05/381068105.db2.gz ZDODOSBYUYLPPK-SJORKVTESA-N 2 0 288.435 2.768 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000354086295 381070099 /nfs/dbraw/zinc/07/00/99/381070099.db2.gz OLADLAAKGPMDEB-OAHLLOKOSA-N 2 0 296.455 2.571 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000354085167 381070175 /nfs/dbraw/zinc/07/01/75/381070175.db2.gz UVRCMKYTNWSLKE-DLBZAZTESA-N 2 0 280.456 2.775 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1CCOCC1 ZINC000289552858 381038838 /nfs/dbraw/zinc/03/88/38/381038838.db2.gz XWIHJALSZMCREP-UHFFFAOYSA-N 2 0 290.451 2.997 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)CC[C@@H]21 ZINC000368495278 381044398 /nfs/dbraw/zinc/04/43/98/381044398.db2.gz TUYQLNFAJCSPCB-KFWWJZLASA-N 2 0 250.430 2.981 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2[C@H]1CCC(C)(C)C1 ZINC000368630119 381090288 /nfs/dbraw/zinc/09/02/88/381090288.db2.gz CQTNLQZBPKTXOT-QKPAOTATSA-N 2 0 280.456 2.749 20 0 CFADRP C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1nccn1C ZINC000182475641 381093833 /nfs/dbraw/zinc/09/38/33/381093833.db2.gz ALMRSIHXBXLIAM-UKRRQHHQSA-N 2 0 278.444 2.581 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCOC1(C)C ZINC000295840080 381110388 /nfs/dbraw/zinc/11/03/88/381110388.db2.gz ALXNJUMZXUFXPH-OIISXLGYSA-N 2 0 288.435 2.664 20 0 CFADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)CC(C)C ZINC000341607836 381121046 /nfs/dbraw/zinc/12/10/46/381121046.db2.gz CBGCDRMZZKDGMG-MRXNPFEDSA-N 2 0 296.503 2.999 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411970884 381075326 /nfs/dbraw/zinc/07/53/26/381075326.db2.gz NVRARDJKTMXZMV-ZFWWWQNUSA-N 2 0 256.434 2.512 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000347415628 381136861 /nfs/dbraw/zinc/13/68/61/381136861.db2.gz RFPYMMRGSUSYFO-IRXDYDNUSA-N 2 0 280.456 2.896 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000182743500 381146310 /nfs/dbraw/zinc/14/63/10/381146310.db2.gz FYRFXSBTIREWBX-UHFFFAOYSA-N 2 0 292.471 2.754 20 0 CFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccsc1 ZINC000295947256 381174027 /nfs/dbraw/zinc/17/40/27/381174027.db2.gz LFDCJWQWSQHUTJ-INIZCTEOSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H]1CCC[C@@H](CC[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000182963382 381190880 /nfs/dbraw/zinc/19/08/80/381190880.db2.gz RKTRMRVQPWQDPV-ROUUACIJSA-N 2 0 295.515 2.772 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000347512039 381194433 /nfs/dbraw/zinc/19/44/33/381194433.db2.gz JELGNLBEPAGLCM-UHFFFAOYSA-N 2 0 295.386 2.652 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnccc2C)CC1 ZINC000354350553 381219196 /nfs/dbraw/zinc/21/91/96/381219196.db2.gz FAWDOBIVFJZGAI-UHFFFAOYSA-N 2 0 261.413 2.602 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000369204434 381212055 /nfs/dbraw/zinc/21/20/55/381212055.db2.gz GATMRVBGDSCTIZ-QGZVFWFLSA-N 2 0 292.467 2.800 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCC(C)CC1 ZINC000359015475 381216371 /nfs/dbraw/zinc/21/63/71/381216371.db2.gz NVMHEJMLHNQRPM-PWUWZPNHSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1O ZINC000290003350 381257748 /nfs/dbraw/zinc/25/77/48/381257748.db2.gz ZDBQGAJKVPWAHJ-CYBMUJFWSA-N 2 0 292.423 2.783 20 0 CFADRP Cc1ccncc1CCC[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000289939789 381224871 /nfs/dbraw/zinc/22/48/71/381224871.db2.gz ZJQXMGXHSLKHGW-SFHVURJKSA-N 2 0 287.451 2.929 20 0 CFADRP Cc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)on1 ZINC000347571450 381229342 /nfs/dbraw/zinc/22/93/42/381229342.db2.gz RFLARCIUXCHDFA-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP COCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197530 381234063 /nfs/dbraw/zinc/23/40/63/381234063.db2.gz FECIOQQZQOQXHZ-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000289961827 381236605 /nfs/dbraw/zinc/23/66/05/381236605.db2.gz WZGXAAGXQMGNRK-ZBFHGGJFSA-N 2 0 288.435 2.799 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000290076128 381288030 /nfs/dbraw/zinc/28/80/30/381288030.db2.gz GLXYUKMIXZLORA-NXHRZFHOSA-N 2 0 290.451 2.912 20 0 CFADRP c1csc(C2CC[NH+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000359211465 381289189 /nfs/dbraw/zinc/28/91/89/381289189.db2.gz CTFSTDBBHHMKJQ-UHFFFAOYSA-N 2 0 279.453 2.712 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000359219821 381293109 /nfs/dbraw/zinc/29/31/09/381293109.db2.gz VXJUVJIZZVFHMF-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)CCC2CC[NH2+]CC2)c1 ZINC000359219911 381293303 /nfs/dbraw/zinc/29/33/03/381293303.db2.gz MXYHCKCOHUUSKA-UHFFFAOYSA-N 2 0 276.424 2.695 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000290108303 381301956 /nfs/dbraw/zinc/30/19/56/381301956.db2.gz IKTUTRZTKIAEJO-KFWWJZLASA-N 2 0 294.439 2.701 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCn2ccnc21 ZINC000296161371 381281958 /nfs/dbraw/zinc/28/19/58/381281958.db2.gz XHZWWCWLTGLWBF-HNNXBMFYSA-N 2 0 295.390 2.666 20 0 CFADRP CSC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000347666544 381285023 /nfs/dbraw/zinc/28/50/23/381285023.db2.gz CKSXHBVODGGNGK-UHFFFAOYSA-N 2 0 268.470 2.832 20 0 CFADRP CC(C)C[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000342416361 381321114 /nfs/dbraw/zinc/32/11/14/381321114.db2.gz LPMFHFMCSXNORP-CQSZACIVSA-N 2 0 279.428 2.546 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000347734881 381323629 /nfs/dbraw/zinc/32/36/29/381323629.db2.gz IQLCZZSKKGKCTQ-WBVHZDCISA-N 2 0 290.455 2.539 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000342425701 381325716 /nfs/dbraw/zinc/32/57/16/381325716.db2.gz XYYMAOIMDJSXHX-HNNXBMFYSA-N 2 0 288.439 2.853 20 0 CFADRP Cc1ccc(SCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000359284189 381327337 /nfs/dbraw/zinc/32/73/37/381327337.db2.gz LFLFZCVOMDNQPO-HUUCEWRRSA-N 2 0 276.449 2.547 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290185328 381333349 /nfs/dbraw/zinc/33/33/49/381333349.db2.gz FOUQGXAUQPNAKG-HUUCEWRRSA-N 2 0 293.455 2.936 20 0 CFADRP CC1(C)[C@H]([NH2+]CCn2ccnc2)C[C@H]1OCc1ccccc1 ZINC000296299078 381338062 /nfs/dbraw/zinc/33/80/62/381338062.db2.gz PFJSHIYKFWKNNL-IAGOWNOFSA-N 2 0 299.418 2.857 20 0 CFADRP Cc1ccncc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000354516239 381313566 /nfs/dbraw/zinc/31/35/66/381313566.db2.gz UTXRJVGBVWTNTO-UHFFFAOYSA-N 2 0 261.413 2.600 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000369849360 381341678 /nfs/dbraw/zinc/34/16/78/381341678.db2.gz BKSFPBUKZKWWOC-DKIMLUQUSA-N 2 0 288.435 2.694 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369881287 381345842 /nfs/dbraw/zinc/34/58/42/381345842.db2.gz FRNKDQPQFODJDT-DOTOQJQBSA-N 2 0 287.451 2.506 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)OC ZINC000290237344 381353291 /nfs/dbraw/zinc/35/32/91/381353291.db2.gz SGRNVISFVMJVEZ-GDBMZVCRSA-N 2 0 294.439 2.703 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(CC)nc2)C1 ZINC000347854046 381379748 /nfs/dbraw/zinc/37/97/48/381379748.db2.gz LKZATJRAJQEJGY-MRXNPFEDSA-N 2 0 275.440 2.808 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC=CO2)CCN1Cc1ccccc1 ZINC000290279786 381368026 /nfs/dbraw/zinc/36/80/26/381368026.db2.gz YZNKIOAOWOLKSX-NJAFHUGGSA-N 2 0 286.419 2.932 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1c(C)nn(C)c1C ZINC000347902920 381405096 /nfs/dbraw/zinc/40/50/96/381405096.db2.gz LMGOKTOPUNMQRQ-CABCVRRESA-N 2 0 278.444 2.562 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cccnc2Cl)C1 ZINC000290407465 381417338 /nfs/dbraw/zinc/41/73/38/381417338.db2.gz JUMUKYBLVLKJQI-OCCSQVGLSA-N 2 0 279.815 2.651 20 0 CFADRP CCC[C@@H]1C[N@H+](CCCc2cnccc2C)CCO1 ZINC000347863692 381387845 /nfs/dbraw/zinc/38/78/45/381387845.db2.gz KWMNUXFHDPSBIP-MRXNPFEDSA-N 2 0 262.397 2.824 20 0 CFADRP CCc1ccc(CN2CC[C@@H](C[NH+](CC)CC)C2)cn1 ZINC000347865190 381389388 /nfs/dbraw/zinc/38/93/88/381389388.db2.gz YXZRVDXBCOVRMO-INIZCTEOSA-N 2 0 275.440 2.808 20 0 CFADRP CCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000370159440 381394968 /nfs/dbraw/zinc/39/49/68/381394968.db2.gz CLMIANCXLULXIO-JSGCOSHPSA-N 2 0 294.468 2.655 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000354669112 381397289 /nfs/dbraw/zinc/39/72/89/381397289.db2.gz KAGAGPRWLNSBGW-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H]1CCCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000342560890 381398096 /nfs/dbraw/zinc/39/80/96/381398096.db2.gz AJKVTXGMCWIFTP-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)CC[C@H](O)c2ccccc2)CCN1C ZINC000290444672 381430854 /nfs/dbraw/zinc/43/08/54/381430854.db2.gz VTRDHLZGBCGWEW-XIRDDKMYSA-N 2 0 276.424 2.525 20 0 CFADRP C[C@H]1C[C@H]([N@H+](C)CC[C@H](O)c2ccccc2)CCN1C ZINC000290444668 381430908 /nfs/dbraw/zinc/43/09/08/381430908.db2.gz VTRDHLZGBCGWEW-UAGQMJEPSA-N 2 0 276.424 2.525 20 0 CFADRP COc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000342629053 381442790 /nfs/dbraw/zinc/44/27/90/381442790.db2.gz RUZRCYFVDXCYOQ-BVGQSLNGSA-N 2 0 288.435 2.871 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000347990977 381448204 /nfs/dbraw/zinc/44/82/04/381448204.db2.gz BCEIQEXFUQJDKY-UHFFFAOYSA-N 2 0 282.428 2.873 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2CCCC2)C1 ZINC000354836041 381478185 /nfs/dbraw/zinc/47/81/85/381478185.db2.gz AIELKJKJJUCJBL-ROUUACIJSA-N 2 0 294.483 2.591 20 0 CFADRP CCOc1ccc2c(c1)CCN(CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000348273134 381478950 /nfs/dbraw/zinc/47/89/50/381478950.db2.gz SXJWDHPYLLPKOW-KRWDZBQOSA-N 2 0 288.435 2.928 20 0 CFADRP C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000348287937 381479768 /nfs/dbraw/zinc/47/97/68/381479768.db2.gz IROIFSUJPORONB-RYRKJORJSA-N 2 0 289.467 2.579 20 0 CFADRP CCN(Cc1c[nH]cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184802004 381480495 /nfs/dbraw/zinc/48/04/95/381480495.db2.gz WCCITPZUEMJCMV-KRWDZBQOSA-N 2 0 284.407 2.506 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000359576768 381481289 /nfs/dbraw/zinc/48/12/89/381481289.db2.gz FUUQIDDFJTWJLA-WBVHZDCISA-N 2 0 276.424 2.648 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637994 381483064 /nfs/dbraw/zinc/48/30/64/381483064.db2.gz WJINSEMMBMUTSI-UIBIWLFHSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc(C)c1O ZINC000290504747 381455932 /nfs/dbraw/zinc/45/59/32/381455932.db2.gz WUAAKGIZYSJZJC-HOTGVXAUSA-N 2 0 274.408 2.535 20 0 CFADRP CC/C=C/CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000184693143 381463502 /nfs/dbraw/zinc/46/35/02/381463502.db2.gz BIZGCYVYGQIGTI-FITBSKBXSA-N 2 0 291.483 2.586 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccccc1 ZINC000370754019 381505225 /nfs/dbraw/zinc/50/52/25/381505225.db2.gz NXEWRRJWGVASHC-MSOLQXFVSA-N 2 0 286.419 2.616 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1C ZINC000348322861 381506666 /nfs/dbraw/zinc/50/66/66/381506666.db2.gz VWVQHEJSFDLDBV-SJORKVTESA-N 2 0 292.471 2.682 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000184997281 381509535 /nfs/dbraw/zinc/50/95/35/381509535.db2.gz KCJCEHDEGZHGLH-WMLDXEAASA-N 2 0 273.424 2.997 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000354898310 381512590 /nfs/dbraw/zinc/51/25/90/381512590.db2.gz SNQCGFYXHSKNPW-QGZVFWFLSA-N 2 0 282.472 2.732 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@@H]2CCC[C@H]21 ZINC000348340826 381518178 /nfs/dbraw/zinc/51/81/78/381518178.db2.gz YAEIEKRRIRDIHQ-MELADBBJSA-N 2 0 254.393 2.731 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000290593983 381493238 /nfs/dbraw/zinc/49/32/38/381493238.db2.gz VNRJGFRKKZMHKE-OLZOCXBDSA-N 2 0 280.437 2.673 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccnc1 ZINC000185059626 381523795 /nfs/dbraw/zinc/52/37/95/381523795.db2.gz RKUPLUBDFLJCTN-GOEBONIOSA-N 2 0 261.413 2.854 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000296757290 381530338 /nfs/dbraw/zinc/53/03/38/381530338.db2.gz JZNGSADDYIGPDW-GFCCVEGCSA-N 2 0 250.411 2.969 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000359650416 381532915 /nfs/dbraw/zinc/53/29/15/381532915.db2.gz PIRORTAMUXFBJE-GOEBONIOSA-N 2 0 258.409 2.648 20 0 CFADRP Cc1cccnc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297504681 381563535 /nfs/dbraw/zinc/56/35/35/381563535.db2.gz VHDQUHOKXKMCFJ-UHFFFAOYSA-N 2 0 296.418 2.586 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000414708084 381600119 /nfs/dbraw/zinc/60/01/19/381600119.db2.gz ORDVXKYPMUNJHM-SFHVURJKSA-N 2 0 295.515 2.948 20 0 CFADRP CCC1CCC([N@H+](CCO)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414756357 381602041 /nfs/dbraw/zinc/60/20/41/381602041.db2.gz QOGAQPUITHAQSS-ORBLRFAASA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)CC[NH2+]1 ZINC000414748734 381603362 /nfs/dbraw/zinc/60/33/62/381603362.db2.gz OTTPTLFYFFMGSZ-CPUHKLKSSA-N 2 0 262.441 2.885 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414831620 381608032 /nfs/dbraw/zinc/60/80/32/381608032.db2.gz NHINWQOVBUZICT-OKZBNKHCSA-N 2 0 272.436 2.987 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]c(C)c2Cl)C[C@H]1C ZINC000355090984 381606687 /nfs/dbraw/zinc/60/66/87/381606687.db2.gz HUEIARZKQZKCSC-MNOVXSKESA-N 2 0 267.804 2.962 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1CCCCC1 ZINC000371293882 381584604 /nfs/dbraw/zinc/58/46/04/381584604.db2.gz IBQOXOABTGAUBY-BRWVUGGUSA-N 2 0 280.456 2.750 20 0 CFADRP Clc1cccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000298372742 381597408 /nfs/dbraw/zinc/59/74/08/381597408.db2.gz KVUJINWUJIPHRH-AWEZNQCLSA-N 2 0 278.827 2.956 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414924332 381613134 /nfs/dbraw/zinc/61/31/34/381613134.db2.gz JWTIBGLKSNNKRL-GJZGRUSLSA-N 2 0 262.397 2.833 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000414927259 381614833 /nfs/dbraw/zinc/61/48/33/381614833.db2.gz ONLLYNUWBXPWQR-CABCVRRESA-N 2 0 262.397 2.705 20 0 CFADRP COc1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)ccc2c1 ZINC000414937851 381628962 /nfs/dbraw/zinc/62/89/62/381628962.db2.gz COXFBPLIEZRVPF-FZKQIMNGSA-N 2 0 284.403 2.936 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000342923313 381619023 /nfs/dbraw/zinc/61/90/23/381619023.db2.gz XUHSMUUHDWHHGA-HZPDHXFCSA-N 2 0 270.461 2.855 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414930878 381620570 /nfs/dbraw/zinc/62/05/70/381620570.db2.gz BHIOUASPQXSDNT-VYDXJSESSA-N 2 0 260.425 2.904 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000414930143 381620752 /nfs/dbraw/zinc/62/07/52/381620752.db2.gz SNFDSPQWZPMBOJ-GJZGRUSLSA-N 2 0 264.438 2.779 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000185403757 381621813 /nfs/dbraw/zinc/62/18/13/381621813.db2.gz NZKLTWVEDXLOMN-HOCLYGCPSA-N 2 0 261.413 2.854 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414931967 381621932 /nfs/dbraw/zinc/62/19/32/381621932.db2.gz CDIGLBYRQOUSOY-UBDQQSCGSA-N 2 0 272.436 2.985 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414934060 381624008 /nfs/dbraw/zinc/62/40/08/381624008.db2.gz AEMMAZLAPGHCFV-RDTXWAMCSA-N 2 0 281.403 2.836 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1SC ZINC000414934190 381624338 /nfs/dbraw/zinc/62/43/38/381624338.db2.gz AGSUHKMZAMNZID-YPMHNXCESA-N 2 0 280.437 2.505 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414934051 381624806 /nfs/dbraw/zinc/62/48/06/381624806.db2.gz AEMMAZLAPGHCFV-KDOFPFPSSA-N 2 0 281.403 2.836 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414934055 381625389 /nfs/dbraw/zinc/62/53/89/381625389.db2.gz AEMMAZLAPGHCFV-KSSFIOAISA-N 2 0 281.403 2.836 20 0 CFADRP CC1([NH2+]Cc2cccc(-c3ccccn3)c2)CC[NH2+]CC1 ZINC000414942738 381634628 /nfs/dbraw/zinc/63/46/28/381634628.db2.gz MWSXEFFVFOTUML-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCSCc2ccccc2)CC[NH2+]1 ZINC000414946019 381635505 /nfs/dbraw/zinc/63/55/05/381635505.db2.gz JEOQEPVWTZEZID-DZGCQCFKSA-N 2 0 264.438 2.650 20 0 CFADRP COc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)ccc2c1 ZINC000414937849 381629406 /nfs/dbraw/zinc/62/94/06/381629406.db2.gz COXFBPLIEZRVPF-ACJLOTCBSA-N 2 0 284.403 2.936 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCN1CCCC(C)(C)C1 ZINC000355128059 381630562 /nfs/dbraw/zinc/63/05/62/381630562.db2.gz UOSZGPLBQXQDLK-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OC ZINC000414955640 381647032 /nfs/dbraw/zinc/64/70/32/381647032.db2.gz MIVBQCUYQSSYGE-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414954737 381647211 /nfs/dbraw/zinc/64/72/11/381647211.db2.gz KRUMNMHHPJBZFJ-YOEHRIQHSA-N 2 0 276.424 2.809 20 0 CFADRP CC1([NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH2+]CC1 ZINC000414947489 381638852 /nfs/dbraw/zinc/63/88/52/381638852.db2.gz WDIUIWPSWPQAGZ-UHFFFAOYSA-N 2 0 274.408 2.707 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000414950743 381641009 /nfs/dbraw/zinc/64/10/09/381641009.db2.gz GLWHPVGWTIWSEU-ZWNOBZJWSA-N 2 0 288.313 2.673 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(C(F)F)CC1 ZINC000355148287 381644235 /nfs/dbraw/zinc/64/42/35/381644235.db2.gz DTITUXTWDXSHNB-UHFFFAOYSA-N 2 0 292.333 2.711 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414961682 381655983 /nfs/dbraw/zinc/65/59/83/381655983.db2.gz BTHDHAXEODWERQ-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000414960779 381656556 /nfs/dbraw/zinc/65/65/56/381656556.db2.gz ARLLEEYDWDUBNU-GJZGRUSLSA-N 2 0 278.444 2.517 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414960791 381656567 /nfs/dbraw/zinc/65/65/67/381656567.db2.gz YKLLRAJITPSZQL-ZBFHGGJFSA-N 2 0 276.424 2.952 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414964218 381660381 /nfs/dbraw/zinc/66/03/81/381660381.db2.gz MCELWCJPUHQIKP-MRXNPFEDSA-N 2 0 276.424 2.879 20 0 CFADRP C[C@H]1CCc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000414963909 381660442 /nfs/dbraw/zinc/66/04/42/381660442.db2.gz DKEWOCKIEWJQAL-QWHCGFSZSA-N 2 0 293.480 2.890 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414967460 381664433 /nfs/dbraw/zinc/66/44/33/381664433.db2.gz XHEXLJYNIAJBCT-CHWSQXEVSA-N 2 0 252.377 2.734 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414970138 381665929 /nfs/dbraw/zinc/66/59/29/381665929.db2.gz UICKYHZBLYNMMS-MRXNPFEDSA-N 2 0 298.434 2.803 20 0 CFADRP c1ccc([C@@H]2C[C@@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)CCN2)cc1 ZINC000414971051 381667743 /nfs/dbraw/zinc/66/77/43/381667743.db2.gz VSVZNVAWYSEIIQ-BZSNNMDCSA-N 2 0 287.451 2.602 20 0 CFADRP CO[C@]1(C)CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000355195321 381669035 /nfs/dbraw/zinc/66/90/35/381669035.db2.gz GODRANCFMZTNFS-MRXNPFEDSA-N 2 0 262.397 2.824 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000414976867 381671197 /nfs/dbraw/zinc/67/11/97/381671197.db2.gz QNJVIJRSYXPMKW-AWEZNQCLSA-N 2 0 264.438 2.886 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)ccc1SC ZINC000414975556 381671456 /nfs/dbraw/zinc/67/14/56/381671456.db2.gz OTPRZIVDKUWCOM-HNNXBMFYSA-N 2 0 294.464 2.895 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000414977791 381672390 /nfs/dbraw/zinc/67/23/90/381672390.db2.gz RUYRONBZGBQQAT-OAHLLOKOSA-N 2 0 278.465 2.898 20 0 CFADRP CN1CC[C@@H]([NH2+]CCc2ccccn2)[C@@H]1c1ccccc1 ZINC000298555606 381672639 /nfs/dbraw/zinc/67/26/39/381672639.db2.gz OSDLSTYJOFBJPU-MSOLQXFVSA-N 2 0 281.403 2.659 20 0 CFADRP COc1cc(C)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414977829 381673003 /nfs/dbraw/zinc/67/30/03/381673003.db2.gz RZNFSOBDNCCSTO-HNNXBMFYSA-N 2 0 292.423 2.634 20 0 CFADRP COCC1(C[NH2+]Cc2cc(C)c(C)cc2C)CC[NH2+]CC1 ZINC000414959604 381654528 /nfs/dbraw/zinc/65/45/28/381654528.db2.gz SSOCIKZBJSHPJP-UHFFFAOYSA-N 2 0 290.451 2.718 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415016558 381709711 /nfs/dbraw/zinc/70/97/11/381709711.db2.gz CVDRJJHEPWRZHB-QWHCGFSZSA-N 2 0 252.377 2.864 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000291219531 381710951 /nfs/dbraw/zinc/71/09/51/381710951.db2.gz NIFWBDAKEYSYGY-XJKSGUPXSA-N 2 0 274.408 2.701 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1c(F)cccc1Br ZINC000415017120 381711287 /nfs/dbraw/zinc/71/12/87/381711287.db2.gz DWSOGUXRZKQMJT-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000415017836 381711622 /nfs/dbraw/zinc/71/16/22/381711622.db2.gz AOQUMBGYAQPNAG-JYJNAYRXSA-N 2 0 292.471 2.750 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000415018241 381711884 /nfs/dbraw/zinc/71/18/84/381711884.db2.gz UDOMRPWBXIINOV-CYBMUJFWSA-N 2 0 273.380 2.949 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000415017737 381711902 /nfs/dbraw/zinc/71/19/02/381711902.db2.gz FWSHVKLSFIOYKY-VIFPVBQESA-N 2 0 267.373 2.652 20 0 CFADRP CCn1nc(C[NH2+][C@@H](C)CCCC[NH3+])c2ccccc21 ZINC000415019382 381712893 /nfs/dbraw/zinc/71/28/93/381712893.db2.gz VPDQVXIHFITMNE-ZDUSSCGKSA-N 2 0 274.412 2.663 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(F)cc2cccnc21 ZINC000415019869 381715189 /nfs/dbraw/zinc/71/51/89/381715189.db2.gz WTYOMOYRQAKMCL-LBPRGKRZSA-N 2 0 275.371 2.981 20 0 CFADRP CCCc1csc(C[NH2+]C(C)(C)CCC[NH3+])n1 ZINC000415021253 381715320 /nfs/dbraw/zinc/71/53/20/381715320.db2.gz YAKNNKHMEDMRFC-UHFFFAOYSA-N 2 0 255.431 2.703 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414980003 381675487 /nfs/dbraw/zinc/67/54/87/381675487.db2.gz VYDPAANHSARECU-BVBGJJFLSA-N 2 0 274.408 2.686 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)Cc1ccccc1 ZINC000414983646 381677071 /nfs/dbraw/zinc/67/70/71/381677071.db2.gz ZZVVUHDGEGARCZ-GDBMZVCRSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC1(C)C)Cc1ccccc1 ZINC000414983648 381677972 /nfs/dbraw/zinc/67/79/72/381677972.db2.gz ZZVVUHDGEGARCZ-GOEBONIOSA-N 2 0 260.425 2.843 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414985386 381679469 /nfs/dbraw/zinc/67/94/69/381679469.db2.gz BHUKSZZGMQUMSV-WMLDXEAASA-N 2 0 298.434 2.992 20 0 CFADRP C[NH+](C)CCc1ccc(NC2CC[NH+](C3CC3)CC2)cc1 ZINC000298585038 381679530 /nfs/dbraw/zinc/67/95/30/381679530.db2.gz YCCMBBFWIOMOCY-UHFFFAOYSA-N 2 0 287.451 2.829 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000414987326 381681716 /nfs/dbraw/zinc/68/17/16/381681716.db2.gz DMVDZUVNFAJONF-OCCSQVGLSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000359926844 381682795 /nfs/dbraw/zinc/68/27/95/381682795.db2.gz SWNAKDAVXIFKTE-MHORFTMASA-N 2 0 295.515 2.674 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414991893 381684715 /nfs/dbraw/zinc/68/47/15/381684715.db2.gz BHFHDFSWWXIZOO-HFBAOOFYSA-N 2 0 278.827 2.914 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000414997772 381688613 /nfs/dbraw/zinc/68/86/13/381688613.db2.gz PYKBSIOQENYIIN-XJKSGUPXSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414996948 381688986 /nfs/dbraw/zinc/68/89/86/381688986.db2.gz GWGOICDQJGHJFG-CVEARBPZSA-N 2 0 298.434 2.788 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415022273 381716717 /nfs/dbraw/zinc/71/67/17/381716717.db2.gz IUYFWBIPKWRODC-RBSFLKMASA-N 2 0 256.434 2.546 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000415022457 381717092 /nfs/dbraw/zinc/71/70/92/381717092.db2.gz ZNTPOUODAXYCBU-MRVPVSSYSA-N 2 0 281.347 2.769 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000415001999 381695236 /nfs/dbraw/zinc/69/52/36/381695236.db2.gz VLRLIEMVJIBWIO-ONGXEEELSA-N 2 0 272.314 2.711 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415004818 381697219 /nfs/dbraw/zinc/69/72/19/381697219.db2.gz IMVYXPNPGBEPRF-RRQGHBQHSA-N 2 0 288.435 2.604 20 0 CFADRP COC1(C[NH2+]CCN2CCC[C@@H](C)C2)CCCCC1 ZINC000359955695 381698736 /nfs/dbraw/zinc/69/87/36/381698736.db2.gz ACDMRQDPWRCKSH-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757958 381699403 /nfs/dbraw/zinc/69/94/03/381699403.db2.gz ZLMGBPZUOQYGAQ-UKRRQHHQSA-N 2 0 264.388 2.818 20 0 CFADRP CC(C)(C)c1nc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cs1 ZINC000415006652 381700553 /nfs/dbraw/zinc/70/05/53/381700553.db2.gz KUFIZOFEGNOGQS-UONOGXRCSA-N 2 0 293.480 2.918 20 0 CFADRP COC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371791593 381701545 /nfs/dbraw/zinc/70/15/45/381701545.db2.gz AKUMXCBYDAUZKU-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1F ZINC000415008459 381702471 /nfs/dbraw/zinc/70/24/71/381702471.db2.gz MPOLZEIEEOWHAA-GOEBONIOSA-N 2 0 262.372 2.612 20 0 CFADRP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682745 381704454 /nfs/dbraw/zinc/70/44/54/381704454.db2.gz SHCRXKGLPDDEJT-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP CCCc1csc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415010020 381704780 /nfs/dbraw/zinc/70/47/80/381704780.db2.gz UQGKAXFKKOFZPF-NEPJUHHUSA-N 2 0 267.442 2.703 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC2(CCOCC2)CC1 ZINC000415011761 381706067 /nfs/dbraw/zinc/70/60/67/381706067.db2.gz IGDRWWNAZBCKSU-AWEZNQCLSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2Cl)CC[NH2+]1 ZINC000415073789 381758279 /nfs/dbraw/zinc/75/82/79/381758279.db2.gz BNFGDBACJFIQCP-RYUDHWBXSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415041018 381728634 /nfs/dbraw/zinc/72/86/34/381728634.db2.gz PJULCKDKEKFGQG-LALPHHSUSA-N 2 0 250.361 2.646 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000415041139 381728926 /nfs/dbraw/zinc/72/89/26/381728926.db2.gz POVFYZPBNPJKEI-WCBMZHEXSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000415046291 381732936 /nfs/dbraw/zinc/73/29/36/381732936.db2.gz UUPWJKGPTSDDIX-ONGXEEELSA-N 2 0 279.384 2.652 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415047292 381735194 /nfs/dbraw/zinc/73/51/94/381735194.db2.gz VPGLXUXKPWYLNZ-BBRMVZONSA-N 2 0 284.407 2.602 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000415051392 381735989 /nfs/dbraw/zinc/73/59/89/381735989.db2.gz ZIXJFROCWMBLLF-CJNGLKHVSA-N 2 0 269.392 2.760 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000415051262 381736862 /nfs/dbraw/zinc/73/68/62/381736862.db2.gz JHMAFQRWXCHNCH-INIZCTEOSA-N 2 0 255.365 2.651 20 0 CFADRP CCCn1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000415052823 381738155 /nfs/dbraw/zinc/73/81/55/381738155.db2.gz LPLGRBAUQQSTRE-QGZVFWFLSA-N 2 0 286.423 2.863 20 0 CFADRP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415052264 381738471 /nfs/dbraw/zinc/73/84/71/381738471.db2.gz MZRHOXFBMFPTIQ-WBVHZDCISA-N 2 0 274.408 2.659 20 0 CFADRP COc1cc(C)nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415053254 381738505 /nfs/dbraw/zinc/73/85/05/381738505.db2.gz MFCVZBVBQXKIMI-GOSISDBHSA-N 2 0 299.418 2.968 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1OC(F)F ZINC000415058880 381744182 /nfs/dbraw/zinc/74/41/82/381744182.db2.gz IXYSMJQNNHAYFD-JTQLQIEISA-N 2 0 288.338 2.514 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415058180 381745442 /nfs/dbraw/zinc/74/54/42/381745442.db2.gz SXOBWMOUMFTDAE-OIISXLGYSA-N 3 0 275.440 2.587 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415060520 381746949 /nfs/dbraw/zinc/74/69/49/381746949.db2.gz YNBJWKIRSIRCTP-WBVHZDCISA-N 2 0 288.435 2.968 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000360042583 381747929 /nfs/dbraw/zinc/74/79/29/381747929.db2.gz XIOCRTAIKCUKAP-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000415067094 381753551 /nfs/dbraw/zinc/75/35/51/381753551.db2.gz KBBLVAHFTGRTNG-QAPCUYQASA-N 2 0 287.451 2.554 20 0 CFADRP C[C@H]([NH2+]CCc1ccccn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298826606 381757557 /nfs/dbraw/zinc/75/75/57/381757557.db2.gz GQCDZSAHHHWPBN-HOTGVXAUSA-N 2 0 287.451 2.867 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000415025329 381718630 /nfs/dbraw/zinc/71/86/30/381718630.db2.gz QNMBIFVIBYBKBE-OAHLLOKOSA-N 2 0 299.418 2.878 20 0 CFADRP CSCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185739221 381719185 /nfs/dbraw/zinc/71/91/85/381719185.db2.gz WPVIANRDXQUTBJ-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000415026964 381719231 /nfs/dbraw/zinc/71/92/31/381719231.db2.gz AGJOIGCYXOHGJA-GDBMZVCRSA-N 2 0 274.408 2.692 20 0 CFADRP C[C@H]1C[C@H]1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000348811729 381719820 /nfs/dbraw/zinc/71/98/20/381719820.db2.gz COKFFGPFDXCHDN-KBPBESRZSA-N 2 0 250.386 2.689 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000415026956 381720094 /nfs/dbraw/zinc/72/00/94/381720094.db2.gz AFQLINHVCULSFN-KOLCDFICSA-N 2 0 256.752 2.696 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000415027123 381720120 /nfs/dbraw/zinc/72/01/20/381720120.db2.gz WDIQJLYBJAIBSM-OAHLLOKOSA-N 2 0 299.418 2.878 20 0 CFADRP CCSCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743934 381721353 /nfs/dbraw/zinc/72/13/53/381721353.db2.gz HRRVCBQMTIXNCR-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000415029927 381721423 /nfs/dbraw/zinc/72/14/23/381721423.db2.gz FCCLEPHIYLUOLH-JQWIXIFHSA-N 2 0 272.314 2.922 20 0 CFADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415029847 381721832 /nfs/dbraw/zinc/72/18/32/381721832.db2.gz DDVWWLVDHYMUOY-ARLBYUKCSA-N 2 0 258.409 2.550 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415030332 381721878 /nfs/dbraw/zinc/72/18/78/381721878.db2.gz FQIGWZXKZJQZBB-OLZOCXBDSA-N 2 0 258.365 2.958 20 0 CFADRP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415032509 381723038 /nfs/dbraw/zinc/72/30/38/381723038.db2.gz HMAUPIASDMUIEJ-BSLXNSKLSA-N 2 0 298.352 2.834 20 0 CFADRP CCCn1c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)nc2ccccc21 ZINC000415033635 381723224 /nfs/dbraw/zinc/72/32/24/381723224.db2.gz JBHXESXVFWYLRB-UONOGXRCSA-N 2 0 286.423 2.663 20 0 CFADRP CCCn1c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)nc2ccccc21 ZINC000415033633 381723445 /nfs/dbraw/zinc/72/34/45/381723445.db2.gz JBHXESXVFWYLRB-KBPBESRZSA-N 2 0 286.423 2.663 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415034780 381724622 /nfs/dbraw/zinc/72/46/22/381724622.db2.gz DBUKTCJRNUHZFX-ZWKOTPCHSA-N 2 0 287.451 2.787 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415037347 381725885 /nfs/dbraw/zinc/72/58/85/381725885.db2.gz MDVYYRCXQNLMNS-CMPLNLGQSA-N 2 0 298.814 2.574 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038516 381725942 /nfs/dbraw/zinc/72/59/42/381725942.db2.gz HWLPPFIHYQIOSU-DLBZAZTESA-N 2 0 258.409 2.959 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000415037457 381726621 /nfs/dbraw/zinc/72/66/21/381726621.db2.gz MKOQECIKCSJANI-OLZOCXBDSA-N 2 0 284.350 2.548 20 0 CFADRP CC(C)c1nc(CC[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000415103380 381783633 /nfs/dbraw/zinc/78/36/33/381783633.db2.gz KBUVTNYBFZTYDC-CHWSQXEVSA-N 2 0 281.469 2.787 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000415111288 381786150 /nfs/dbraw/zinc/78/61/50/381786150.db2.gz UHJQULRCFKCAKG-HUUCEWRRSA-N 2 0 270.461 2.527 20 0 CFADRP CC(C)([NH3+])C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000415113000 381788843 /nfs/dbraw/zinc/78/88/43/381788843.db2.gz SDMMKFNOGRSGMQ-UHFFFAOYSA-N 2 0 297.240 2.808 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000415117977 381790444 /nfs/dbraw/zinc/79/04/44/381790444.db2.gz XPZVBTPVEGFASW-HOCLYGCPSA-N 2 0 263.429 2.756 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415119301 381790586 /nfs/dbraw/zinc/79/05/86/381790586.db2.gz KKVWFGIWRSUCJU-LSDHHAIUSA-N 2 0 292.423 2.584 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]C1 ZINC000415122304 381792043 /nfs/dbraw/zinc/79/20/43/381792043.db2.gz LEEYLHWFFVNSJM-IRXDYDNUSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415121470 381793199 /nfs/dbraw/zinc/79/31/99/381793199.db2.gz HNDZSPNOQOQSTI-HOCLYGCPSA-N 2 0 298.434 2.802 20 0 CFADRP CC(C)[C@@](C)(O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000372342973 381794906 /nfs/dbraw/zinc/79/49/06/381794906.db2.gz AXNHOSUPVRLGQD-RDJZCZTQSA-N 2 0 294.483 2.590 20 0 CFADRP Cc1ccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000415122982 381795318 /nfs/dbraw/zinc/79/53/18/381795318.db2.gz OVPIVQDIOCQWMH-ZBFHGGJFSA-N 2 0 275.440 2.999 20 0 CFADRP Cc1ccc(NC2CCC(C[NH3+])CC2)c(C[NH+](C)C)c1 ZINC000415127880 381797349 /nfs/dbraw/zinc/79/73/49/381797349.db2.gz WMIJEVBRLMDRMD-UHFFFAOYSA-N 2 0 275.440 2.986 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000415129121 381797561 /nfs/dbraw/zinc/79/75/61/381797561.db2.gz YUDUMCSBUPFJJY-UHFFFAOYSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415076438 381763469 /nfs/dbraw/zinc/76/34/69/381763469.db2.gz GOORDTWDDQGKDT-GUTXKFCHSA-N 2 0 280.387 2.713 20 0 CFADRP COc1cccc(CCC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000415083643 381769764 /nfs/dbraw/zinc/76/97/64/381769764.db2.gz QDRJZRQWUGIITP-UHFFFAOYSA-N 2 0 276.424 2.735 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000415084283 381769831 /nfs/dbraw/zinc/76/98/31/381769831.db2.gz GSMXJDZGQPVFEX-SEEARECTSA-N 2 0 274.408 2.790 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000415083999 381770013 /nfs/dbraw/zinc/77/00/13/381770013.db2.gz QONOFJMIEVZIEM-UHFFFAOYSA-N 2 0 254.324 2.572 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000360244943 381773908 /nfs/dbraw/zinc/77/39/08/381773908.db2.gz ITYFGSNXBOHQKK-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000415087529 381773936 /nfs/dbraw/zinc/77/39/36/381773936.db2.gz UVYHKUKGLHNZMZ-QAPCUYQASA-N 2 0 298.434 2.552 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000415090062 381775289 /nfs/dbraw/zinc/77/52/89/381775289.db2.gz ZRYDUBCOPOWBNF-HOCLYGCPSA-N 2 0 276.424 2.748 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000415088675 381775870 /nfs/dbraw/zinc/77/58/70/381775870.db2.gz WQWHRZFVAICPSH-KKUMJFAQSA-N 2 0 270.461 2.791 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000415090207 381775878 /nfs/dbraw/zinc/77/58/78/381775878.db2.gz YPSSQPBISHAYJJ-HOCLYGCPSA-N 2 0 284.407 2.665 20 0 CFADRP c1ccc(OC2CCC2)c(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000415089530 381775894 /nfs/dbraw/zinc/77/58/94/381775894.db2.gz NLTXVZLHFDCOMY-UHFFFAOYSA-N 2 0 274.408 2.707 20 0 CFADRP FC(F)(F)c1ccccc1CC[NH2+]CC1CC[NH2+]CC1 ZINC000415089217 381775980 /nfs/dbraw/zinc/77/59/80/381775980.db2.gz YNQUNZTUGMZQMM-UHFFFAOYSA-N 2 0 286.341 2.837 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc4occc4c3)C2)C1 ZINC000292768608 381827587 /nfs/dbraw/zinc/82/75/87/381827587.db2.gz KDYIATYAHIDZDJ-KRWDZBQOSA-N 2 0 270.376 2.960 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000356221280 381832485 /nfs/dbraw/zinc/83/24/85/381832485.db2.gz PAPZPAUAOITEDZ-CWRNSKLLSA-N 2 0 250.430 2.862 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415138192 381803108 /nfs/dbraw/zinc/80/31/08/381803108.db2.gz YNPUDIQFPWSUPM-HIFRSBDPSA-N 2 0 292.423 2.511 20 0 CFADRP CC(C)CCC[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000372676621 381850293 /nfs/dbraw/zinc/85/02/93/381850293.db2.gz QZRWNALKNMNTJW-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(OCC)c2)C1 ZINC000299172548 381850966 /nfs/dbraw/zinc/85/09/66/381850966.db2.gz TZHPSLVEVQDPDE-OAHLLOKOSA-N 2 0 292.423 2.612 20 0 CFADRP CC[C@H]1C[C@@H](C[N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000343627138 381852171 /nfs/dbraw/zinc/85/21/71/381852171.db2.gz VFQHTRUEPBGKAQ-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000372688480 381852706 /nfs/dbraw/zinc/85/27/06/381852706.db2.gz FJQVGQJRPNVSBH-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@@H]1CCCOC1)C(C)C ZINC000356866029 381872556 /nfs/dbraw/zinc/87/25/56/381872556.db2.gz LLLRDYHLMFZJDD-JKSUJKDBSA-N 2 0 270.461 2.900 20 0 CFADRP CCOc1cc(C[NH2+]C2CCN(C)CC2)cc(Cl)c1O ZINC000299360511 381911158 /nfs/dbraw/zinc/91/11/58/381911158.db2.gz CBVLGBJJNNZSBQ-UHFFFAOYSA-N 2 0 298.814 2.628 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCC2CCOCC2)CC1 ZINC000373017248 381911257 /nfs/dbraw/zinc/91/12/57/381911257.db2.gz ZVXIFOBALBWOHG-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP c1cn(CCCC2CCN(Cc3cocn3)CC2)cn1 ZINC000349416657 381930397 /nfs/dbraw/zinc/93/03/97/381930397.db2.gz KLWGMCZGOZTJDY-UHFFFAOYSA-N 2 0 274.368 2.564 20 0 CFADRP FC[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000292972864 381928690 /nfs/dbraw/zinc/92/86/90/381928690.db2.gz GPMYYGSUOSNBQW-OAHLLOKOSA-N 2 0 259.328 2.806 20 0 CFADRP COc1cc2c(N[C@H](C)C[NH+](C)C)cc[nH+]c2cc1F ZINC000343809381 381955127 /nfs/dbraw/zinc/95/51/27/381955127.db2.gz RHVXDHLUXMBDSI-SNVBAGLBSA-N 2 0 277.343 2.745 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000186592078 381958035 /nfs/dbraw/zinc/95/80/35/381958035.db2.gz MVHGJCFKUQDVLN-HUUCEWRRSA-N 2 0 293.430 2.502 20 0 CFADRP CC[C@@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000186525032 381937499 /nfs/dbraw/zinc/93/74/99/381937499.db2.gz XSKKOCMAZAFKCY-INIZCTEOSA-N 2 0 278.440 2.505 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2ccn(C)n2)CC1 ZINC000349461318 381941108 /nfs/dbraw/zinc/94/11/08/381941108.db2.gz YCZKFCPXYAVCLR-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000356989140 381944548 /nfs/dbraw/zinc/94/45/48/381944548.db2.gz LAGZWQVCVGQARS-RDJZCZTQSA-N 2 0 282.472 2.998 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000362180766 381946107 /nfs/dbraw/zinc/94/61/07/381946107.db2.gz JISIRMGZKNBHDF-KBPBESRZSA-N 2 0 284.444 2.523 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000186568656 381949558 /nfs/dbraw/zinc/94/95/58/381949558.db2.gz UPMJOKXCLRRXDW-RTXFEEFZSA-N 2 0 267.442 2.627 20 0 CFADRP Cc1ccncc1C1=CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000373410735 381998685 /nfs/dbraw/zinc/99/86/85/381998685.db2.gz AVJIZGRKOKFDRI-QGZVFWFLSA-N 2 0 285.435 2.963 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000349974359 382002295 /nfs/dbraw/zinc/00/22/95/382002295.db2.gz WTDDNEYSZPRTAW-BPQIPLTHSA-N 2 0 294.483 2.855 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCCOC)CC1)CC1CC1 ZINC000357092531 382005175 /nfs/dbraw/zinc/00/51/75/382005175.db2.gz YYLJATDDGBMSJJ-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H](c1ccccc1)[N@H+](CCOCC[NH3+])CC1CCC1 ZINC000357103917 382009356 /nfs/dbraw/zinc/00/93/56/382009356.db2.gz LOINMAQVVVCARN-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CSCCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186776222 382011309 /nfs/dbraw/zinc/01/13/09/382011309.db2.gz HBPOGHBWRHUNDG-UONOGXRCSA-N 2 0 256.459 2.736 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)C(C)(C)O ZINC000293157568 382011312 /nfs/dbraw/zinc/01/13/12/382011312.db2.gz VIWDAIVMARVYBV-OAHLLOKOSA-N 2 0 273.380 2.511 20 0 CFADRP Cc1ccc2nc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)cn2c1 ZINC000293065198 381975072 /nfs/dbraw/zinc/97/50/72/381975072.db2.gz VATBVSTWNUBWQI-SFHVURJKSA-N 2 0 298.434 2.560 20 0 CFADRP C[C@H](c1ccccc1Cl)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357032775 381978500 /nfs/dbraw/zinc/97/85/00/381978500.db2.gz SYMNNXQCYNHVSD-GFCCVEGCSA-N 2 0 282.815 2.841 20 0 CFADRP COc1ccc([C@@H]2CCCCC[N@@H+]2CCOCC[NH3+])cc1 ZINC000357031656 381978701 /nfs/dbraw/zinc/97/87/01/381978701.db2.gz REAUFGHIDBSXEA-KRWDZBQOSA-N 2 0 292.423 2.588 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H]1CCSC1)CC2)C1CC1 ZINC000373327614 381980114 /nfs/dbraw/zinc/98/01/14/381980114.db2.gz HTFVARDXHOPWES-HUUCEWRRSA-N 2 0 294.508 2.936 20 0 CFADRP CC/C=C/CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000373347428 381982835 /nfs/dbraw/zinc/98/28/35/381982835.db2.gz LSLOXKVVMNMXMH-ONILBQQISA-N 2 0 266.429 2.526 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCSCC1 ZINC000186904073 382042002 /nfs/dbraw/zinc/04/20/02/382042002.db2.gz SYERNFKVYDWSOF-GFCCVEGCSA-N 2 0 258.475 2.696 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CO)CC2CCCCC2)CC1 ZINC000417358713 382056800 /nfs/dbraw/zinc/05/68/00/382056800.db2.gz FUIXHQFCJYYLDC-QGZVFWFLSA-N 2 0 282.472 2.782 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000300105270 382057075 /nfs/dbraw/zinc/05/70/75/382057075.db2.gz ZLRFFGIDIDEDIF-KKUMJFAQSA-N 2 0 256.434 2.546 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300003129 382057498 /nfs/dbraw/zinc/05/74/98/382057498.db2.gz RYUHKNHEYMYXNV-LSDHHAIUSA-N 2 0 266.429 2.539 20 0 CFADRP C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000351734871 382059564 /nfs/dbraw/zinc/05/95/64/382059564.db2.gz KCVLCTSILIGWDV-GZBFAFLISA-N 2 0 254.393 2.683 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000343941463 382029757 /nfs/dbraw/zinc/02/97/57/382029757.db2.gz UCFIOSBXXWUFPE-MRXNPFEDSA-N 2 0 291.439 2.690 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000417308136 382035299 /nfs/dbraw/zinc/03/52/99/382035299.db2.gz FKGFCDRPENRFAI-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)[C@H]1C ZINC000293399661 382109052 /nfs/dbraw/zinc/10/90/52/382109052.db2.gz LMPQJKUOHBQXCL-SJORKVTESA-N 2 0 287.451 2.539 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C12CCC2 ZINC000344081269 382116346 /nfs/dbraw/zinc/11/63/46/382116346.db2.gz XACFUBYGSPJCGN-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CCOC1CC(C[N@H+](C)C2CC[NH+](C(C)C)CC2)C1 ZINC000352122251 382182029 /nfs/dbraw/zinc/18/20/29/382182029.db2.gz AZKXNCSFCJLWCL-UHFFFAOYSA-N 2 0 268.445 2.606 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)C1(CC)CC ZINC000344107598 382134204 /nfs/dbraw/zinc/13/42/04/382134204.db2.gz WZNTYWJZWDQTGF-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000352053984 382151026 /nfs/dbraw/zinc/15/10/26/382151026.db2.gz XZYMJXAZDJFNOK-HZPDHXFCSA-N 2 0 297.487 2.534 20 0 CFADRP C[NH+]1CC[C@@H](NCC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000352099227 382170149 /nfs/dbraw/zinc/17/01/49/382170149.db2.gz FSDMXIWJWAMPHR-KURKYZTESA-N 2 0 287.451 2.506 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 ZINC000376966234 382196359 /nfs/dbraw/zinc/19/63/59/382196359.db2.gz FKVWXCRSMLIKNF-RDJZCZTQSA-N 2 0 285.391 2.766 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC2)CC1 ZINC000344208436 382200783 /nfs/dbraw/zinc/20/07/83/382200783.db2.gz HDGIKHNIXXNRFZ-UHFFFAOYSA-N 2 0 287.451 2.861 20 0 CFADRP CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000293649348 382215144 /nfs/dbraw/zinc/21/51/44/382215144.db2.gz IMYAMGPCQZRRHA-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414789738 296327399 /nfs/dbraw/zinc/32/73/99/296327399.db2.gz YQUHEVJNXUUSMB-OAGGEKHMSA-N 2 0 280.456 2.500 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000363451795 382233614 /nfs/dbraw/zinc/23/36/14/382233614.db2.gz XKUZBXKBSWELDL-ZWKOTPCHSA-N 2 0 293.499 2.811 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCC1CC1 ZINC000680332856 542305285 /nfs/dbraw/zinc/30/52/85/542305285.db2.gz PXMXKEPBNKXTEM-UHFFFAOYSA-N 2 0 270.380 2.856 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293788006 382279706 /nfs/dbraw/zinc/27/97/06/382279706.db2.gz UFFDPYZTBUPMTK-OLZOCXBDSA-N 2 0 250.386 2.544 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000352342149 382281502 /nfs/dbraw/zinc/28/15/02/382281502.db2.gz OPFJLQZABYCXEQ-DLBZAZTESA-N 2 0 290.451 2.820 20 0 CFADRP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000187886692 382288724 /nfs/dbraw/zinc/28/87/24/382288724.db2.gz MRQDRJOHZVYCEL-IRXDYDNUSA-N 2 0 280.456 2.677 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCOCC2CCC2)CC1 ZINC000419191961 382239356 /nfs/dbraw/zinc/23/93/56/382239356.db2.gz SIBPXYWLAOQFKY-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC[C@H](C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)OC ZINC000419220881 382249737 /nfs/dbraw/zinc/24/97/37/382249737.db2.gz ADEWEDKKADVWCZ-QGZVFWFLSA-N 2 0 291.439 2.655 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OCC1CCC1 ZINC000419232944 382252836 /nfs/dbraw/zinc/25/28/36/382252836.db2.gz GLTUFLNFRCFRPD-SJLPKXTDSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000680353631 542311406 /nfs/dbraw/zinc/31/14/06/542311406.db2.gz IXSONCJQVACUQC-HOTGVXAUSA-N 3 0 281.488 2.571 20 0 CFADRP CC(C)CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364111377 382263995 /nfs/dbraw/zinc/26/39/95/382263995.db2.gz CUEGHUVMRNNAJX-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP Cc1ncc([C@H](C)NCC(C)(C)C[NH+]2CCCC2)c(C)n1 ZINC000357837524 382344338 /nfs/dbraw/zinc/34/43/38/382344338.db2.gz UNILXOLMDCAYIV-ZDUSSCGKSA-N 2 0 290.455 2.866 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357786958 382320728 /nfs/dbraw/zinc/32/07/28/382320728.db2.gz WYZNVFDSTKHUSQ-KGLIPLIRSA-N 2 0 259.397 2.525 20 0 CFADRP COc1ccccc1CCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420289731 382343839 /nfs/dbraw/zinc/34/38/39/382343839.db2.gz IFDXEWFILZSZQU-CQSZACIVSA-N 2 0 276.424 2.687 20 0 CFADRP c1ccc2[nH]c(C3CC[NH+](CC[C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420298815 382350352 /nfs/dbraw/zinc/35/03/52/382350352.db2.gz HWNCTIAQJKMRNU-AWEZNQCLSA-N 2 0 298.434 2.742 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420302975 382353313 /nfs/dbraw/zinc/35/33/13/382353313.db2.gz KDVHSLINTBNSQJ-WMLDXEAASA-N 2 0 274.408 2.832 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000364818996 382354288 /nfs/dbraw/zinc/35/42/88/382354288.db2.gz VPZUHVWPHSWNNR-OAGGEKHMSA-N 2 0 292.467 2.656 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188137149 382354298 /nfs/dbraw/zinc/35/42/98/382354298.db2.gz BESWWOKXEBEMBQ-LAVFITLUSA-N 2 0 288.435 2.522 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420306202 382355295 /nfs/dbraw/zinc/35/52/95/382355295.db2.gz ABLVNNJVJSOGGQ-MAUKXSAKSA-N 2 0 287.451 2.889 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420306514 382355528 /nfs/dbraw/zinc/35/55/28/382355528.db2.gz HRKUBOIEKYCVSW-CQSZACIVSA-N 2 0 299.418 2.720 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000420307072 382355684 /nfs/dbraw/zinc/35/56/84/382355684.db2.gz QXCRQXWTFDLJNC-UKRRQHHQSA-N 2 0 276.424 2.858 20 0 CFADRP CCc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420390572 382396591 /nfs/dbraw/zinc/39/65/91/382396591.db2.gz YJYXEXUWVJJURE-QGZVFWFLSA-N 2 0 258.409 2.825 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420305987 382356563 /nfs/dbraw/zinc/35/65/63/382356563.db2.gz QFNWVQQAXQBPQZ-RDJZCZTQSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000420309521 382357960 /nfs/dbraw/zinc/35/79/60/382357960.db2.gz UDVNYHSXOMVXQN-JFIYKMOQSA-N 2 0 288.435 2.838 20 0 CFADRP c1cc(CCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000420310338 382358185 /nfs/dbraw/zinc/35/81/85/382358185.db2.gz PPSIGTIOTOOFKU-UHFFFAOYSA-N 2 0 264.438 2.756 20 0 CFADRP c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420309663 382358217 /nfs/dbraw/zinc/35/82/17/382358217.db2.gz DXUMTMPTBVOERD-DOTOQJQBSA-N 2 0 273.424 2.563 20 0 CFADRP CC1CCN(C(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000303379908 382358702 /nfs/dbraw/zinc/35/87/02/382358702.db2.gz QPURGYNGWVULKS-INIZCTEOSA-N 2 0 294.487 2.753 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420315303 382362606 /nfs/dbraw/zinc/36/26/06/382362606.db2.gz LOJGJBVALAGANO-CQSZACIVSA-N 2 0 280.387 2.526 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377882012 382364943 /nfs/dbraw/zinc/36/49/43/382364943.db2.gz BTVKFZYTMJJZDW-KRWDZBQOSA-N 2 0 290.455 2.628 20 0 CFADRP CC[C@@](C)([NH2+]CC[C@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000420321354 382366723 /nfs/dbraw/zinc/36/67/23/382366723.db2.gz RAVCBHBCGFVUMJ-TZMCWYRMSA-N 2 0 267.442 2.666 20 0 CFADRP c1sc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1C1CC1 ZINC000420319813 382367108 /nfs/dbraw/zinc/36/71/08/382367108.db2.gz ANVVCNRBXMVMLJ-UONOGXRCSA-N 2 0 291.464 2.842 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000420321749 382368732 /nfs/dbraw/zinc/36/87/32/382368732.db2.gz RPKOZLNHMMJVHK-ZETOZRRWSA-N 2 0 264.800 2.996 20 0 CFADRP COc1ccc(CCC[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420323420 382369138 /nfs/dbraw/zinc/36/91/38/382369138.db2.gz UFBMFWROWKINLA-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP Cc1nc(C)c([C@@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)s1 ZINC000420323384 382369387 /nfs/dbraw/zinc/36/93/87/382369387.db2.gz UGUKLCFHXQJDRS-DGCLKSJQSA-N 2 0 267.442 2.752 20 0 CFADRP c1csc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420326412 382370491 /nfs/dbraw/zinc/37/04/91/382370491.db2.gz XJZHYOSZRNBTNC-GJZGRUSLSA-N 2 0 294.464 2.729 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420325803 382370807 /nfs/dbraw/zinc/37/08/07/382370807.db2.gz WTNLWHCKTWVTLC-KRWDZBQOSA-N 3 0 295.515 2.820 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415033755 296329218 /nfs/dbraw/zinc/32/92/18/296329218.db2.gz JHQDJHNNACWIHR-AHCXZYCDSA-N 3 0 293.499 2.747 20 0 CFADRP Fc1cccc(Cl)c1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420332444 382372843 /nfs/dbraw/zinc/37/28/43/382372843.db2.gz JQAOJZHLCAYPRK-BETUJISGSA-N 2 0 296.817 2.953 20 0 CFADRP C[N@H+](CCCOc1cccc(Cl)c1)C1CC([NH3+])C1 ZINC000420331893 382373301 /nfs/dbraw/zinc/37/33/01/382373301.db2.gz MTESLHSLWKRADL-UHFFFAOYSA-N 2 0 268.788 2.530 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341077 382374762 /nfs/dbraw/zinc/37/47/62/382374762.db2.gz PVGYIGMEPPQPNA-CALCHBBNSA-N 2 0 288.435 2.695 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341969 382375775 /nfs/dbraw/zinc/37/57/75/382375775.db2.gz PCADGQMWPJFFPC-SJORKVTESA-N 2 0 288.435 2.559 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341031 382375835 /nfs/dbraw/zinc/37/58/35/382375835.db2.gz NMPRSZHGGIGSSU-HUUCEWRRSA-N 2 0 292.398 2.526 20 0 CFADRP Cc1nc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cs1 ZINC000420357516 382380480 /nfs/dbraw/zinc/38/04/80/382380480.db2.gz IAHMWYYUBLRZKD-HNNXBMFYSA-N 2 0 279.453 2.978 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000420357299 382380594 /nfs/dbraw/zinc/38/05/94/382380594.db2.gz HDCXTAXFMWWQNQ-OAHLLOKOSA-N 2 0 264.388 2.736 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420360190 382383456 /nfs/dbraw/zinc/38/34/56/382383456.db2.gz KRVPUPMMMZOLPR-MRXNPFEDSA-N 2 0 260.425 2.769 20 0 CFADRP c1nn([C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c2ccccc12 ZINC000420363664 382384879 /nfs/dbraw/zinc/38/48/79/382384879.db2.gz PSHCMELTMQRJPR-KRWDZBQOSA-N 2 0 298.434 2.673 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000346499764 382387843 /nfs/dbraw/zinc/38/78/43/382387843.db2.gz YJNDMIWRGMEZFT-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+]CC[C@@H]1CCCCN1Cc1cnc([C@H]2CCCO2)s1 ZINC000352541594 382388481 /nfs/dbraw/zinc/38/84/81/382388481.db2.gz ZRZCBXAPSCZJRL-GXTWGEPZSA-N 2 0 295.452 2.698 20 0 CFADRP [NH3+]CC[C@@H]1CCCCN1Cc1cnc([C@@H]2CCCO2)s1 ZINC000352541595 382388696 /nfs/dbraw/zinc/38/86/96/382388696.db2.gz ZRZCBXAPSCZJRL-JSGCOSHPSA-N 2 0 295.452 2.698 20 0 CFADRP CCCc1ccc([C@H]([NH2+]CCOCC[NH3+])C(C)C)cc1 ZINC000420368224 382389523 /nfs/dbraw/zinc/38/95/23/382389523.db2.gz HSLKFSGLVKBKKK-QGZVFWFLSA-N 2 0 278.440 2.901 20 0 CFADRP Fc1cccc(F)c1C[N@H+](CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000420376299 382393360 /nfs/dbraw/zinc/39/33/60/382393360.db2.gz QHHOTTIBOBXNDX-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420378445 382394634 /nfs/dbraw/zinc/39/46/34/382394634.db2.gz UJMXFQOFMXDWCC-NWDGAFQWSA-N 2 0 284.350 2.938 20 0 CFADRP CCCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364646110 382347427 /nfs/dbraw/zinc/34/74/27/382347427.db2.gz LTTSWABDYPLZPU-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CN(CC[N@@H+]1CCC[C@H](c2nccn2C)C1)c1ccccc1 ZINC000365629540 382427412 /nfs/dbraw/zinc/42/74/12/382427412.db2.gz NACLLZQBAHVACM-INIZCTEOSA-N 2 0 298.434 2.736 20 0 CFADRP Cc1cccc2oc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc21 ZINC000365741091 382435840 /nfs/dbraw/zinc/43/58/40/382435840.db2.gz ZEFDFBHJJSMKLQ-GOOCMWNKSA-N 2 0 299.418 2.894 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH+]1CCC(C[NH3+])CC1 ZINC000346610895 382436767 /nfs/dbraw/zinc/43/67/67/382436767.db2.gz FDLRNROKDIDSHA-HNNXBMFYSA-N 2 0 260.425 2.926 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420405088 382400181 /nfs/dbraw/zinc/40/01/81/382400181.db2.gz SSEBBBVFXKOQLI-QAPCUYQASA-N 2 0 287.451 2.717 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000357997100 382402029 /nfs/dbraw/zinc/40/20/29/382402029.db2.gz USWKDULOEKBUDD-XJKSGUPXSA-N 2 0 280.387 2.524 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420420719 382402902 /nfs/dbraw/zinc/40/29/02/382402902.db2.gz YIXNMHZVGNTUMG-JQHSSLGASA-N 2 0 288.435 2.744 20 0 CFADRP C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000420413205 382402961 /nfs/dbraw/zinc/40/29/61/382402961.db2.gz SURPPOAMSXVOSM-SJLPKXTDSA-N 2 0 290.451 2.553 20 0 CFADRP Cc1ccc(-c2cnc(CN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)o2)cc1 ZINC000365512598 382405827 /nfs/dbraw/zinc/40/58/27/382405827.db2.gz MCTLSZWPNCSZSD-IYBDPMFKSA-N 2 0 297.402 2.643 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CCC=CO1)CC2)C1CC1 ZINC000365801019 382446699 /nfs/dbraw/zinc/44/66/99/382446699.db2.gz ZUTFFANKLDSIAX-DOTOQJQBSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCO1 ZINC000346553050 382410262 /nfs/dbraw/zinc/41/02/62/382410262.db2.gz GSHYKPPPZQIBDP-BFHYXJOUSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000358017580 382410966 /nfs/dbraw/zinc/41/09/66/382410966.db2.gz HXRXBCSUXFJEMJ-IUODEOHRSA-N 2 0 262.372 2.756 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCCO1 ZINC000346553059 382411084 /nfs/dbraw/zinc/41/10/84/382411084.db2.gz GSHYKPPPZQIBDP-MJBXVCDLSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000352608606 382414288 /nfs/dbraw/zinc/41/42/88/382414288.db2.gz NMCRHQVZORMTHU-KONPQCLYSA-N 2 0 292.467 2.750 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)[C@H](C)C1 ZINC000346564187 382415935 /nfs/dbraw/zinc/41/59/35/382415935.db2.gz MUPWCLIUDZMHBL-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000346573658 382419875 /nfs/dbraw/zinc/41/98/75/382419875.db2.gz PGRKJICHOUBQCI-COXVUDFISA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000346652290 382455976 /nfs/dbraw/zinc/45/59/76/382455976.db2.gz QIVZNVNJCKFZQA-JSGCOSHPSA-N 2 0 287.432 2.979 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352712113 382456080 /nfs/dbraw/zinc/45/60/80/382456080.db2.gz CDGSNZLBNBEKQA-BFQNTYOBSA-N 2 0 292.398 2.968 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCC ZINC000346650701 382456104 /nfs/dbraw/zinc/45/61/04/382456104.db2.gz PYCRATAGKYCBKP-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000346653704 382457491 /nfs/dbraw/zinc/45/74/91/382457491.db2.gz FDZOQCJEPQPQOC-KSSFIOAISA-N 2 0 281.403 2.918 20 0 CFADRP Cc1cc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000358128876 382462214 /nfs/dbraw/zinc/46/22/14/382462214.db2.gz QVFXJINDFWUGMO-QGZVFWFLSA-N 2 0 275.440 2.980 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCCC2 ZINC000378454829 382464082 /nfs/dbraw/zinc/46/40/82/382464082.db2.gz LOLDIVPORUBZOM-IAGOWNOFSA-N 2 0 292.467 2.966 20 0 CFADRP Cn1nccc1-c1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000352751038 382465892 /nfs/dbraw/zinc/46/58/92/382465892.db2.gz SRTOSLCFCLQRGN-UHFFFAOYSA-N 2 0 298.434 2.663 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000346677715 382467310 /nfs/dbraw/zinc/46/73/10/382467310.db2.gz LIHWWOFEHKLICU-UKRRQHHQSA-N 2 0 284.407 2.554 20 0 CFADRP C[N@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000346682694 382469102 /nfs/dbraw/zinc/46/91/02/382469102.db2.gz OQXSTEIXYLPIOI-SNAWJCMRSA-N 2 0 250.361 2.756 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Cl ZINC000310231776 382493870 /nfs/dbraw/zinc/49/38/70/382493870.db2.gz JSNRHYYFFFROEV-LLVKDONJSA-N 2 0 254.805 2.936 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000346687170 382472762 /nfs/dbraw/zinc/47/27/62/382472762.db2.gz LGMUTCHJPKNKMA-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1OCC ZINC000346687621 382473010 /nfs/dbraw/zinc/47/30/10/382473010.db2.gz LXJOGFLDRQQRLP-UHFFFAOYSA-N 2 0 292.423 2.655 20 0 CFADRP CC(C)Cc1ncc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000346689953 382474007 /nfs/dbraw/zinc/47/40/07/382474007.db2.gz RJEOGXKOYWWOAH-UHFFFAOYSA-N 2 0 267.442 2.512 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346693189 382475475 /nfs/dbraw/zinc/47/54/75/382475475.db2.gz LFZVGXOJSIQMMY-BFYDXBDKSA-N 2 0 260.425 2.924 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1SC ZINC000346694407 382477628 /nfs/dbraw/zinc/47/76/28/382477628.db2.gz UIZPSWGFDJLIKG-DGCLKSJQSA-N 2 0 280.437 2.586 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381952015 382526420 /nfs/dbraw/zinc/52/64/20/382526420.db2.gz SHRRAYMPMPPCQI-WVTZPBJPSA-N 2 0 268.445 2.545 20 0 CFADRP COc1cccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000353198166 382527103 /nfs/dbraw/zinc/52/71/03/382527103.db2.gz YMLWQMQAJJZPFN-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP COc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294358731 382511420 /nfs/dbraw/zinc/51/14/20/382511420.db2.gz ZVTXCNZFTPQTJB-UHFFFAOYSA-N 2 0 297.402 2.849 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)[C@H](C)C1 ZINC000358236617 382518899 /nfs/dbraw/zinc/51/88/99/382518899.db2.gz AKNINUUOELJNKC-WBVHZDCISA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000353359484 382538673 /nfs/dbraw/zinc/53/86/73/382538673.db2.gz URJSLJMQLOKTGU-ATLSCFEFSA-N 2 0 294.483 2.780 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccn1 ZINC000353388401 382540996 /nfs/dbraw/zinc/54/09/96/382540996.db2.gz RHRCWYBEXYVTEM-KFWWJZLASA-N 2 0 291.464 2.766 20 0 CFADRP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346845809 382543281 /nfs/dbraw/zinc/54/32/81/382543281.db2.gz BGPGADYVQHXFJP-IACUBPJLSA-N 2 0 293.480 3.000 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189106657 382544073 /nfs/dbraw/zinc/54/40/73/382544073.db2.gz ISLIPHOYRIGRLJ-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358287148 382548907 /nfs/dbraw/zinc/54/89/07/382548907.db2.gz AJEKALBPDSXCCL-YYIAUSFCSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000346870190 382552770 /nfs/dbraw/zinc/55/27/70/382552770.db2.gz KYWYFSPDQRRZCU-ZFWWWQNUSA-N 2 0 279.403 2.558 20 0 CFADRP COCC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000384393113 382553368 /nfs/dbraw/zinc/55/33/68/382553368.db2.gz YRDSGTYIILTWTH-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP Cc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1F ZINC000384464450 382553655 /nfs/dbraw/zinc/55/36/55/382553655.db2.gz OWXLTPWMBVALQH-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353511543 382555050 /nfs/dbraw/zinc/55/50/50/382555050.db2.gz BUDKAQRHODAWNX-YVSFHVDLSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000358335222 382573432 /nfs/dbraw/zinc/57/34/32/382573432.db2.gz ATPLDCFQAXQIJN-BRSBDYLESA-N 2 0 295.515 2.815 20 0 CFADRP C[C@@H]1C[C@H](N(C)CC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000346826105 382531804 /nfs/dbraw/zinc/53/18/04/382531804.db2.gz DVKDZRRWHWGKFP-NVXWUHKLSA-N 2 0 289.467 2.709 20 0 CFADRP CCc1csc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000346825933 382532097 /nfs/dbraw/zinc/53/20/97/382532097.db2.gz LSDXBAZYCKGRCZ-UONOGXRCSA-N 2 0 293.480 2.885 20 0 CFADRP COC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000319249772 382532866 /nfs/dbraw/zinc/53/28/66/382532866.db2.gz XZSIMCVSNLUFNJ-MQVJKMGUSA-N 2 0 280.456 2.941 20 0 CFADRP COC1(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000318946385 382533176 /nfs/dbraw/zinc/53/31/76/382533176.db2.gz AKFFKMOWNDLDPP-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)([NH3+])C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000346832657 382534759 /nfs/dbraw/zinc/53/47/59/382534759.db2.gz LXQBHQCLNJQSFS-UHFFFAOYSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386133961 382583715 /nfs/dbraw/zinc/58/37/15/382583715.db2.gz PIJITUPLFMJIKS-JYJNAYRXSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000353624716 382584059 /nfs/dbraw/zinc/58/40/59/382584059.db2.gz UUCHHADVCUGQNI-YYIAUSFCSA-N 2 0 294.483 2.638 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358353267 382584375 /nfs/dbraw/zinc/58/43/75/382584375.db2.gz JVCBKWLAXMCUAD-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CN(CC)C[C@H]1C)c1c(C)noc1C ZINC000358356697 382585663 /nfs/dbraw/zinc/58/56/63/382585663.db2.gz PFGBVIQDTAWUNH-DDTOSNHZSA-N 2 0 265.401 2.672 20 0 CFADRP C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000386410991 382588013 /nfs/dbraw/zinc/58/80/13/382588013.db2.gz IMGYIEQDGWPKGS-BBRMVZONSA-N 2 0 271.408 2.831 20 0 CFADRP c1cncc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C2CC2)c1 ZINC000358362166 382588282 /nfs/dbraw/zinc/58/82/82/382588282.db2.gz DQHYNLTWAKCGPH-YESZJQIVSA-N 2 0 271.408 2.749 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000346965964 382591210 /nfs/dbraw/zinc/59/12/10/382591210.db2.gz DASNFFFMYQKSLN-CYBMUJFWSA-N 2 0 262.397 2.520 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353643946 382592077 /nfs/dbraw/zinc/59/20/77/382592077.db2.gz LLNGRYQJCIYMQQ-RAEVTNRLSA-N 2 0 291.439 2.857 20 0 CFADRP COc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(F)c1 ZINC000397241240 382632907 /nfs/dbraw/zinc/63/29/07/382632907.db2.gz LWDOCWHOZJHWQO-OBJOEFQTSA-N 2 0 280.387 2.640 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc(C)nc2)[C@H](C)C1 ZINC000353650476 382595209 /nfs/dbraw/zinc/59/52/09/382595209.db2.gz NMJUXVXOIIXEJZ-CRAIPNDOSA-N 2 0 289.467 2.985 20 0 CFADRP C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000358387281 382596191 /nfs/dbraw/zinc/59/61/91/382596191.db2.gz BBKQSPIOERQPAZ-MJVIPROJSA-N 2 0 284.350 2.889 20 0 CFADRP Fc1cc(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000389082777 382611178 /nfs/dbraw/zinc/61/11/78/382611178.db2.gz BKGOLTKULNJLFF-BETUJISGSA-N 2 0 282.790 2.911 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCC[NH3+])COCc1ccccc1 ZINC000389945234 382616773 /nfs/dbraw/zinc/61/67/73/382616773.db2.gz SYRMGECYVNCHDP-HUUCEWRRSA-N 2 0 264.413 2.556 20 0 CFADRP Fc1cc(C[NH2+]C[C@H]2CCC=CO2)ccc1-n1ccnc1 ZINC000189559331 382624664 /nfs/dbraw/zinc/62/46/64/382624664.db2.gz BEIVYXOVGPCMGU-CQSZACIVSA-N 2 0 287.338 2.794 20 0 CFADRP CSCC1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000385874906 382579418 /nfs/dbraw/zinc/57/94/18/382579418.db2.gz VSKNFJAMOINDGS-SHARSMKWSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000385921222 382581008 /nfs/dbraw/zinc/58/10/08/382581008.db2.gz AIQUQJVDSBQIQE-NCOADZHNSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000192454530 382709196 /nfs/dbraw/zinc/70/91/96/382709196.db2.gz QLLUDYADIWSQCC-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)N(C)Cc1ccccc1 ZINC000192575287 382710192 /nfs/dbraw/zinc/71/01/92/382710192.db2.gz IGVYLYBJOYMLGT-ZMSDIMECSA-N 2 0 276.424 2.522 20 0 CFADRP COCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192636168 382710793 /nfs/dbraw/zinc/71/07/93/382710793.db2.gz KSEMPTRQZGJMOA-ALOPSCKCSA-N 2 0 274.408 2.548 20 0 CFADRP CC1(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)COC1 ZINC000336824331 382722801 /nfs/dbraw/zinc/72/28/01/382722801.db2.gz UGGVJFFHBVISHB-UHFFFAOYSA-N 2 0 280.456 2.611 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000575172880 382729612 /nfs/dbraw/zinc/72/96/12/382729612.db2.gz QERHETNCZUUVQX-CZUORRHYSA-N 2 0 274.408 2.662 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000575235286 382732600 /nfs/dbraw/zinc/73/26/00/382732600.db2.gz AVDJVEVHPUEAGR-HUUCEWRRSA-N 2 0 270.486 2.838 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)C(C)(C)C)C2)CC1 ZINC000336846400 382734126 /nfs/dbraw/zinc/73/41/26/382734126.db2.gz OARCEOJUXYOVHH-IAGOWNOFSA-N 2 0 296.499 2.837 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000337132602 382765626 /nfs/dbraw/zinc/76/56/26/382765626.db2.gz KJOCBURLBZFTRG-LSDHHAIUSA-N 2 0 299.418 2.895 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+](C)C)ccc1F ZINC000212768878 382776508 /nfs/dbraw/zinc/77/65/08/382776508.db2.gz DYMGIFIACBNBEU-GFCCVEGCSA-N 2 0 268.376 2.827 20 0 CFADRP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccnc1 ZINC000216004645 382781395 /nfs/dbraw/zinc/78/13/95/382781395.db2.gz OGZYNMZEYPWKHT-LSDHHAIUSA-N 2 0 261.413 2.997 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000216427371 382783812 /nfs/dbraw/zinc/78/38/12/382783812.db2.gz KTWRUDZYUSYQOE-JJRVBVJISA-N 2 0 276.424 2.651 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCC[C@H]2C)CC1 ZINC000337249710 382785505 /nfs/dbraw/zinc/78/55/05/382785505.db2.gz LZZFAKMYNXECDN-QGZVFWFLSA-N 2 0 281.488 2.667 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000337267501 382789589 /nfs/dbraw/zinc/78/95/89/382789589.db2.gz WLHOVGFRMZDVKI-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194535717 382747292 /nfs/dbraw/zinc/74/72/92/382747292.db2.gz QVQJIBXHDXRBIM-CWRNSKLLSA-N 2 0 276.399 2.640 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000194550185 382748231 /nfs/dbraw/zinc/74/82/31/382748231.db2.gz GEWHUPNOGXFBAD-MRXNPFEDSA-N 2 0 260.381 2.531 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000220342112 382795778 /nfs/dbraw/zinc/79/57/78/382795778.db2.gz OROMELCFKGNVCG-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194862161 382756149 /nfs/dbraw/zinc/75/61/49/382756149.db2.gz NIDNKJICFUZTID-UONOGXRCSA-N 2 0 262.397 2.775 20 0 CFADRP C[N@H+](CCCCOC(C)(C)C)CCC[NH+]1CCCC1 ZINC000337282031 382793032 /nfs/dbraw/zinc/79/30/32/382793032.db2.gz WYBBQBPLZJEIOU-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP Cc1cc(C)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1C ZINC000219319655 382793115 /nfs/dbraw/zinc/79/31/15/382793115.db2.gz ZQGHWBMOCBOFMB-MRXNPFEDSA-N 2 0 278.440 2.841 20 0 CFADRP Cc1ccc(C)c([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1 ZINC000219308243 382793173 /nfs/dbraw/zinc/79/31/73/382793173.db2.gz VEMPXMIGUZYQGU-OAHLLOKOSA-N 2 0 264.413 2.532 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000219310560 382793332 /nfs/dbraw/zinc/79/33/32/382793332.db2.gz UDBHYSHJWMNKQS-KRWDZBQOSA-N 2 0 278.440 2.868 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCSc3ccccc3)C[C@H]21 ZINC000228472464 382846893 /nfs/dbraw/zinc/84/68/93/382846893.db2.gz CLBCSULAENMCNP-NUEKZKHPSA-N 2 0 276.449 2.838 20 0 CFADRP Cc1cccc2oc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)nc21 ZINC000577094428 382847279 /nfs/dbraw/zinc/84/72/79/382847279.db2.gz FQPHVBAOHPHUHP-PBWFPOADSA-N 2 0 285.391 2.551 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@H]21 ZINC000228534630 382847657 /nfs/dbraw/zinc/84/76/57/382847657.db2.gz AJXCATWOADMKLC-ZWKOPEQDSA-N 2 0 270.829 2.961 20 0 CFADRP COC1(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CCCC1 ZINC000577125037 382848966 /nfs/dbraw/zinc/84/89/66/382848966.db2.gz HZHZSUZFHBDLNW-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP CSc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000415102279 532957712 /nfs/dbraw/zinc/95/77/12/532957712.db2.gz IOPRMFVOIRCQAQ-JSGCOSHPSA-N 2 0 264.438 2.886 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CCC1CC1 ZINC000337321274 382800965 /nfs/dbraw/zinc/80/09/65/382800965.db2.gz PUNYGWHPAKYAME-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000337323761 382801286 /nfs/dbraw/zinc/80/12/86/382801286.db2.gz SPCXUVXPLNXHTB-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@@H](C)O1 ZINC000575860139 382801807 /nfs/dbraw/zinc/80/18/07/382801807.db2.gz POIPSZHRGNICAI-HOJOPBEUSA-N 2 0 260.381 2.677 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000576030250 382807937 /nfs/dbraw/zinc/80/79/37/382807937.db2.gz SGCBUDPUFYXFSH-LSDHHAIUSA-N 2 0 272.477 2.740 20 0 CFADRP FC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224152425 382809530 /nfs/dbraw/zinc/80/95/30/382809530.db2.gz JOVYDYVKBNDJIW-SDDRHHMPSA-N 2 0 264.335 2.839 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229085251 382850603 /nfs/dbraw/zinc/85/06/03/382850603.db2.gz XLUFATSAMJLGBE-HOCLYGCPSA-N 2 0 276.424 2.599 20 0 CFADRP C[NH+](C)C1CC(NCc2cccc(C(F)(F)F)c2)C1 ZINC000576291453 382817893 /nfs/dbraw/zinc/81/78/93/382817893.db2.gz ILWXAEGUGBLOBC-UHFFFAOYSA-N 2 0 272.314 2.888 20 0 CFADRP [NH3+][C@H]1CCC[C@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000576359772 382820489 /nfs/dbraw/zinc/82/04/89/382820489.db2.gz LIVNBOCOGRPRHO-IRXDYDNUSA-N 2 0 293.499 2.892 20 0 CFADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000576461647 382823473 /nfs/dbraw/zinc/82/34/73/382823473.db2.gz ZPTUTZKFOGJXHY-UHFFFAOYSA-N 2 0 287.451 2.823 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337471628 382826250 /nfs/dbraw/zinc/82/62/50/382826250.db2.gz NVMVFRNSDMXTOY-FPCVCCKLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000226331151 382826973 /nfs/dbraw/zinc/82/69/73/382826973.db2.gz SAMSLYXRBIQXTA-RWMBFGLXSA-N 2 0 250.361 2.946 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000576767277 382835633 /nfs/dbraw/zinc/83/56/33/382835633.db2.gz JXTZGTGHUCWEFV-UHFFFAOYSA-N 2 0 289.423 2.616 20 0 CFADRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc(OC)c1 ZINC000227330561 382835865 /nfs/dbraw/zinc/83/58/65/382835865.db2.gz KVPKJJZLMPIYIJ-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP C[N@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000227540764 382837642 /nfs/dbraw/zinc/83/76/42/382837642.db2.gz MUIFGQQPNCDVOL-SJORKVTESA-N 2 0 273.424 2.595 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070170718 412967946 /nfs/dbraw/zinc/96/79/46/412967946.db2.gz FDDXXHNYBGZDCG-MRXNPFEDSA-N 2 0 276.424 2.743 20 0 CFADRP COC1(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000577026114 382844979 /nfs/dbraw/zinc/84/49/79/382844979.db2.gz IEMSPCUUCUMXRL-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441332329 382907788 /nfs/dbraw/zinc/90/77/88/382907788.db2.gz QGLOSUKVFRLLKL-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000577327991 382855091 /nfs/dbraw/zinc/85/50/91/382855091.db2.gz PEFQSKSLQMTCPA-BZUAXINKSA-N 2 0 270.461 2.902 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]21 ZINC000230131498 382855997 /nfs/dbraw/zinc/85/59/97/382855997.db2.gz SATOSPYVFLSBET-GVNDTXGWSA-N 2 0 256.393 2.759 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCCOc1ccccc1 ZINC000577610415 382864545 /nfs/dbraw/zinc/86/45/45/382864545.db2.gz HJKXKSWZLUWOJV-CVEARBPZSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577650328 382866783 /nfs/dbraw/zinc/86/67/83/382866783.db2.gz MWBDHVNEKGYRDT-ZBFHGGJFSA-N 2 0 289.423 2.641 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C1 ZINC000577866065 382873488 /nfs/dbraw/zinc/87/34/88/382873488.db2.gz XEICDTWYTAXWLL-YIYPIFLZSA-N 2 0 262.372 2.931 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000234331471 382874035 /nfs/dbraw/zinc/87/40/35/382874035.db2.gz KJWVAHPPIOQTGU-QGZVFWFLSA-N 2 0 274.408 2.701 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000234693363 382874811 /nfs/dbraw/zinc/87/48/11/382874811.db2.gz PWEQTASTMMRPQI-CABCVRRESA-N 2 0 262.397 2.784 20 0 CFADRP CC[C@@H](F)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000440762659 382879052 /nfs/dbraw/zinc/87/90/52/382879052.db2.gz IQYJHAKWJJLRPE-CQSZACIVSA-N 2 0 274.424 2.557 20 0 CFADRP CC[C@@H](F)C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000440791819 382882665 /nfs/dbraw/zinc/88/26/65/382882665.db2.gz KEGDMZUBBHEYNH-MRXNPFEDSA-N 2 0 288.451 2.805 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000578022875 382883508 /nfs/dbraw/zinc/88/35/08/382883508.db2.gz GQPZNOPGVPCPHH-IAGOWNOFSA-N 2 0 292.467 2.984 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337987716 382890185 /nfs/dbraw/zinc/89/01/85/382890185.db2.gz GWKDYUXVMUKLFJ-QZTJIDSGSA-N 2 0 293.499 2.572 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337992081 382892263 /nfs/dbraw/zinc/89/22/63/382892263.db2.gz QRWDHWGEXJPAGA-WBAXXEDZSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337998566 382894547 /nfs/dbraw/zinc/89/45/47/382894547.db2.gz VLRDSPNIRFKIQC-HOTGVXAUSA-N 2 0 250.430 2.887 20 0 CFADRP FCCC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000338000265 382895549 /nfs/dbraw/zinc/89/55/49/382895549.db2.gz VPLXKBZFAJOAGZ-HUUCEWRRSA-N 2 0 256.409 2.980 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)cc2)C1 ZINC000578668624 382944221 /nfs/dbraw/zinc/94/42/21/382944221.db2.gz JKDJDKKWGWJKNR-KFWWJZLASA-N 2 0 282.815 2.623 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cscn2)CC1 ZINC000535066710 382950210 /nfs/dbraw/zinc/95/02/10/382950210.db2.gz LDXREJBTKOEEBQ-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](C)[C@@H]3C)CC2)nc(C)n1 ZINC000495041408 382954032 /nfs/dbraw/zinc/95/40/32/382954032.db2.gz FDOHVBGYUVSMIQ-DETPVDSQSA-N 2 0 288.439 2.696 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000495049236 382954852 /nfs/dbraw/zinc/95/48/52/382954852.db2.gz RDAJDHOAJHXDNF-QUSNUVHPSA-N 2 0 282.472 2.758 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000442797061 382958000 /nfs/dbraw/zinc/95/80/00/382958000.db2.gz WOZHSGFQLGXNQY-JXQTWKCFSA-N 2 0 292.414 2.757 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCSC2)CC1 ZINC000495072727 382959035 /nfs/dbraw/zinc/95/90/35/382959035.db2.gz TVQCVPAVFNKURH-ZDUSSCGKSA-N 2 0 256.459 2.544 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000495082123 382959422 /nfs/dbraw/zinc/95/94/22/382959422.db2.gz VMHHKYHXGAQARS-OAHLLOKOSA-N 2 0 270.486 2.793 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338240494 382960619 /nfs/dbraw/zinc/96/06/19/382960619.db2.gz XYHUQTDCSSUPPN-KRWDZBQOSA-N 2 0 298.471 2.583 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(C)o1 ZINC000578482642 382924256 /nfs/dbraw/zinc/92/42/56/382924256.db2.gz GSWATCCVHQQZRS-GOEBONIOSA-N 2 0 294.439 2.784 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)o1 ZINC000578549334 382931351 /nfs/dbraw/zinc/93/13/51/382931351.db2.gz IEIGZQDYSXITID-OAGGEKHMSA-N 2 0 291.439 2.584 20 0 CFADRP Cc1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1C ZINC000578558493 382932889 /nfs/dbraw/zinc/93/28/89/382932889.db2.gz QMMQRGNENUQUGO-UHFFFAOYSA-N 2 0 291.483 2.619 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[NH+]2CCCCC2)CCCC1 ZINC000421823035 382934103 /nfs/dbraw/zinc/93/41/03/382934103.db2.gz YNSLVHFVGVNPHO-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCCC2)C1 ZINC000421824478 382934182 /nfs/dbraw/zinc/93/41/82/382934182.db2.gz IYIHBXYRXUWICZ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000422902334 532963554 /nfs/dbraw/zinc/96/35/54/532963554.db2.gz UHCHDOAQGIREBU-SFYZADRCSA-N 2 0 277.231 2.726 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422704692 382974382 /nfs/dbraw/zinc/97/43/82/382974382.db2.gz AMAAFVPDDISIGC-ZWKOTPCHSA-N 2 0 290.451 2.885 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C)n1 ZINC000423022880 383016418 /nfs/dbraw/zinc/01/64/18/383016418.db2.gz ILKGEEPZNKYEQX-QWHCGFSZSA-N 2 0 266.433 2.597 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422784703 382978740 /nfs/dbraw/zinc/97/87/40/382978740.db2.gz OGTUTAIISBBILM-ZJPYXAASSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422784697 382979874 /nfs/dbraw/zinc/97/98/74/382979874.db2.gz OGTUTAIISBBILM-VSZNYVQBSA-N 2 0 293.499 2.617 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422807899 382980536 /nfs/dbraw/zinc/98/05/36/382980536.db2.gz KFKGZASZILBZOJ-UAGQMJEPSA-N 2 0 276.424 2.932 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422808861 382981075 /nfs/dbraw/zinc/98/10/75/382981075.db2.gz OYLANEZSWGIRDH-BPQIPLTHSA-N 2 0 292.467 2.579 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])CC(C)C ZINC000422834737 382981654 /nfs/dbraw/zinc/98/16/54/382981654.db2.gz XJMGPNANPXWPIB-IKGGRYGDSA-N 2 0 283.504 2.850 20 0 CFADRP OCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCC1 ZINC000422814938 382982498 /nfs/dbraw/zinc/98/24/98/382982498.db2.gz WMWSMEWQXNVWHD-GVDBMIGSSA-N 2 0 294.483 2.830 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000422843323 382983227 /nfs/dbraw/zinc/98/32/27/382983227.db2.gz HVVZEUUVBYAXRG-RCCFBDPRSA-N 2 0 295.515 2.721 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000422839569 382983589 /nfs/dbraw/zinc/98/35/89/382983589.db2.gz QPUAUWZJISRCTJ-RHSMWYFYSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422842921 382983843 /nfs/dbraw/zinc/98/38/43/382983843.db2.gz ZOLZCVMDLQHMMV-WDEREUQCSA-N 2 0 263.360 2.565 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910881 382988556 /nfs/dbraw/zinc/98/85/56/382988556.db2.gz RSOTYPLAWQKZSC-YQQAZPJKSA-N 2 0 281.488 2.747 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C[C@@H]1OC ZINC000422942860 382989294 /nfs/dbraw/zinc/98/92/94/382989294.db2.gz QGPLHYQLPXTZGL-TUVASFSCSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548880682 382989702 /nfs/dbraw/zinc/98/97/02/382989702.db2.gz ZQTNNLPPJBUPDQ-VHSXEESVSA-N 2 0 252.324 2.505 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422961830 382989814 /nfs/dbraw/zinc/98/98/14/382989814.db2.gz BDJSUVIBRHPHFH-LZWOXQAQSA-N 2 0 278.440 2.504 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422953647 382989966 /nfs/dbraw/zinc/98/99/66/382989966.db2.gz GDORJHZLYBTUOZ-VQCLRJIVSA-N 2 0 276.424 2.733 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)CC1CCCC1 ZINC000423025238 383017348 /nfs/dbraw/zinc/01/73/48/383017348.db2.gz NRYZZENHKOOIAH-DJIMGWMZSA-N 2 0 282.472 2.828 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCc2ccccc2CC1 ZINC000548918579 382993225 /nfs/dbraw/zinc/99/32/25/382993225.db2.gz FQNNIPUSMUZNHQ-UHFFFAOYSA-N 2 0 260.425 2.819 20 0 CFADRP CCCCOc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422978411 382993580 /nfs/dbraw/zinc/99/35/80/382993580.db2.gz ZJYHFMXGMCDWFI-GOEBONIOSA-N 2 0 291.439 2.868 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000422977922 382993585 /nfs/dbraw/zinc/99/35/85/382993585.db2.gz XWZCGNMPFPKDNC-OLZOCXBDSA-N 2 0 299.418 2.836 20 0 CFADRP CCCCOc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422978413 382993654 /nfs/dbraw/zinc/99/36/54/382993654.db2.gz ZJYHFMXGMCDWFI-ZBFHGGJFSA-N 2 0 291.439 2.868 20 0 CFADRP CCCCOc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422978410 382994315 /nfs/dbraw/zinc/99/43/15/382994315.db2.gz ZJYHFMXGMCDWFI-GDBMZVCRSA-N 2 0 291.439 2.868 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422981218 382995498 /nfs/dbraw/zinc/99/54/98/382995498.db2.gz SGRRJJDTPIJMMJ-ZACQAIPSSA-N 2 0 276.424 2.750 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422981861 382995698 /nfs/dbraw/zinc/99/56/98/382995698.db2.gz UTRDETSYKFZMNG-ULQDDVLXSA-N 2 0 276.424 2.607 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000579238786 382996061 /nfs/dbraw/zinc/99/60/61/382996061.db2.gz XDAGGMUMCCISRZ-MSOLQXFVSA-N 2 0 272.436 2.894 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H](C)[C@@H]1OC ZINC000422987826 382997508 /nfs/dbraw/zinc/99/75/08/382997508.db2.gz JIKRPUNWQVMWLW-VJTDZRGJSA-N 2 0 256.434 2.542 20 0 CFADRP CCCOc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422987098 382998137 /nfs/dbraw/zinc/99/81/37/382998137.db2.gz FEHJOGGYXQPAFN-SJPCQFCGSA-N 2 0 288.435 2.891 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2C2CC2)C1(C)C ZINC000447598439 382998358 /nfs/dbraw/zinc/99/83/58/382998358.db2.gz HJTYHRDZQOQHGO-ARFHVFGLSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422997500 383002939 /nfs/dbraw/zinc/00/29/39/383002939.db2.gz BNGSBSYXYDDTMP-NWDGAFQWSA-N 2 0 270.804 2.572 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000422996910 383003042 /nfs/dbraw/zinc/00/30/42/383003042.db2.gz AGPBAZJULBIJSF-JSGCOSHPSA-N 2 0 282.815 2.826 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000423002189 383004117 /nfs/dbraw/zinc/00/41/17/383004117.db2.gz YMGISRHXZGZKFA-HOTGVXAUSA-N 2 0 258.409 2.726 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423006756 383008150 /nfs/dbraw/zinc/00/81/50/383008150.db2.gz WFXRUWWZJLAEOG-WDEREUQCSA-N 2 0 270.804 2.954 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C1CCCC1 ZINC000423006762 383008906 /nfs/dbraw/zinc/00/89/06/383008906.db2.gz WGTLQSYNZAZCIZ-CQSZACIVSA-N 2 0 256.434 2.546 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423012779 383009550 /nfs/dbraw/zinc/00/95/50/383009550.db2.gz LJGMOJLVDOPMGW-RKVPGOIHSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000423012226 383010137 /nfs/dbraw/zinc/01/01/37/383010137.db2.gz CNHRNGDIMKIFHH-CZUORRHYSA-N 2 0 258.409 2.522 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423012781 383010276 /nfs/dbraw/zinc/01/02/76/383010276.db2.gz LJGMOJLVDOPMGW-RVKKMQEKSA-N 2 0 290.451 2.994 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000423008329 383010308 /nfs/dbraw/zinc/01/03/08/383010308.db2.gz ZXTNCLOEWGEVQH-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1c(C)noc1C ZINC000423012961 383011353 /nfs/dbraw/zinc/01/13/53/383011353.db2.gz LQIZHVUCSIRNKB-MFKMUULPSA-N 2 0 253.390 2.850 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1(C)C ZINC000423013422 383011429 /nfs/dbraw/zinc/01/14/29/383011429.db2.gz FYZGNLXGPBPISJ-RLPSOPLKSA-N 2 0 274.408 2.780 20 0 CFADRP C[C@H]([NH2+]CCC1Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000423014465 383011511 /nfs/dbraw/zinc/01/15/11/383011511.db2.gz PDQDCBLIXLXPDR-KSSFIOAISA-N 2 0 272.436 2.912 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423014498 383011545 /nfs/dbraw/zinc/01/15/45/383011545.db2.gz PGBPIBDSFDCZMZ-QRTARXTBSA-N 2 0 276.424 2.591 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1(C)C ZINC000423013420 383011549 /nfs/dbraw/zinc/01/15/49/383011549.db2.gz FYZGNLXGPBPISJ-NPODOCJWSA-N 2 0 274.408 2.780 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423014077 383011681 /nfs/dbraw/zinc/01/16/81/383011681.db2.gz OCGAWQSSTILPNW-RDJZCZTQSA-N 2 0 294.414 2.929 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423014157 383011710 /nfs/dbraw/zinc/01/17/10/383011710.db2.gz HMLJEHCPSORMLB-UOVKNHIHSA-N 2 0 282.815 2.885 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cnn(Cc2ccccc2)c1 ZINC000423015058 383012576 /nfs/dbraw/zinc/01/25/76/383012576.db2.gz QIOALUJKUWRJJD-LSDHHAIUSA-N 2 0 286.423 2.709 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000423015290 383012646 /nfs/dbraw/zinc/01/26/46/383012646.db2.gz QRAYJKXNCGORPP-DJIMGWMZSA-N 2 0 275.440 2.539 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000423015874 383012912 /nfs/dbraw/zinc/01/29/12/383012912.db2.gz LQLYCZROVUGHCK-UWVGGRQHSA-N 2 0 270.364 2.532 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423015376 383012978 /nfs/dbraw/zinc/01/29/78/383012978.db2.gz KOTNKXNSHJNCAE-KMUNFCNLSA-N 2 0 284.350 2.512 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423015461 383013086 /nfs/dbraw/zinc/01/30/86/383013086.db2.gz RAHGZYMJDGSFAC-BFHYXJOUSA-N 2 0 279.403 2.510 20 0 CFADRP COC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(F)c(F)c1 ZINC000423018674 383015226 /nfs/dbraw/zinc/01/52/26/383015226.db2.gz RSFNUEDHXMLQRV-IAQYHMDHSA-N 2 0 286.366 2.759 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423019207 383015306 /nfs/dbraw/zinc/01/53/06/383015306.db2.gz URFQMQASKSBHPX-AEFFLSMTSA-N 2 0 290.451 2.624 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000423019077 383015397 /nfs/dbraw/zinc/01/53/97/383015397.db2.gz TWNFUYBJOPXTTE-PMPSAXMXSA-N 2 0 294.826 2.902 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423019209 383015500 /nfs/dbraw/zinc/01/55/00/383015500.db2.gz URFQMQASKSBHPX-SJLPKXTDSA-N 2 0 290.451 2.624 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423019208 383015605 /nfs/dbraw/zinc/01/56/05/383015605.db2.gz URFQMQASKSBHPX-FUHWJXTLSA-N 2 0 290.451 2.624 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000423045749 383028614 /nfs/dbraw/zinc/02/86/14/383028614.db2.gz CLCGUUZRPWIBAC-SJORKVTESA-N 2 0 288.435 2.712 20 0 CFADRP COCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C)o1 ZINC000423049490 383029526 /nfs/dbraw/zinc/02/95/26/383029526.db2.gz XUCHKXGMOLJLND-JSGCOSHPSA-N 2 0 268.401 2.773 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423047287 383030358 /nfs/dbraw/zinc/03/03/58/383030358.db2.gz HAYLHRAABJMNLZ-HFBAOOFYSA-N 2 0 288.391 2.583 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058875 383035418 /nfs/dbraw/zinc/03/54/18/383035418.db2.gz KMVJAMDYHLZATG-ATLSCFEFSA-N 2 0 289.467 2.716 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423059585 383035520 /nfs/dbraw/zinc/03/55/20/383035520.db2.gz FZEHOKPKPGKAHU-MAUKXSAKSA-N 2 0 289.467 2.614 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000423063255 383037533 /nfs/dbraw/zinc/03/75/33/383037533.db2.gz OKMLROKCAQWCNY-CABCVRRESA-N 2 0 268.445 2.690 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cn(C)c2c1 ZINC000423064770 383038589 /nfs/dbraw/zinc/03/85/89/383038589.db2.gz ZSENZKSWIRQGCN-RHSMWYFYSA-N 2 0 285.435 2.759 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069508 383040064 /nfs/dbraw/zinc/04/00/64/383040064.db2.gz LSAXDBTVBHUPPU-UONOGXRCSA-N 2 0 298.377 2.938 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084472 383041010 /nfs/dbraw/zinc/04/10/10/383041010.db2.gz IARBTKCPPLIDEN-ZWKOTPCHSA-N 3 0 285.435 2.595 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423114310 383042723 /nfs/dbraw/zinc/04/27/23/383042723.db2.gz VDUNKDDFCGSZMK-XLAORIBOSA-N 2 0 293.499 2.761 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423118433 383043400 /nfs/dbraw/zinc/04/34/00/383043400.db2.gz AOHOCLDUEBJUDT-FQLQODGNSA-N 2 0 276.346 2.838 20 0 CFADRP FC(F)(F)C1CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423118434 383043860 /nfs/dbraw/zinc/04/38/60/383043860.db2.gz AOHOCLDUEBJUDT-KAKVVRBNSA-N 2 0 276.346 2.838 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423123614 383043867 /nfs/dbraw/zinc/04/38/67/383043867.db2.gz NAZVRKCFXFOQID-KGLIPLIRSA-N 2 0 292.471 2.620 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@H](C)C3C[NH2+]C3)CC2)c(C)c1 ZINC000423142618 383044909 /nfs/dbraw/zinc/04/49/09/383044909.db2.gz AUTMKSMSRFXKHQ-CQSZACIVSA-N 2 0 258.409 2.533 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCCC(F)(F)C1 ZINC000423139349 383045370 /nfs/dbraw/zinc/04/53/70/383045370.db2.gz ZLGHOHAHOODGKT-XDQVBPFNSA-N 2 0 290.398 2.544 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@]2(C)CC[NH2+]C2)C1(C)C ZINC000579711463 383045719 /nfs/dbraw/zinc/04/57/19/383045719.db2.gz DQGBVVGEQDMILW-ZMSDIMECSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423159052 383046638 /nfs/dbraw/zinc/04/66/38/383046638.db2.gz OOSCBRFBBVJIEX-PVUWLOKVSA-N 2 0 272.392 2.630 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158802 383046643 /nfs/dbraw/zinc/04/66/43/383046643.db2.gz DJQKTBQDPVJANJ-SJORKVTESA-N 3 0 273.424 2.595 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423155555 383046816 /nfs/dbraw/zinc/04/68/16/383046816.db2.gz QSMIVKIIBVGLCC-HZPDHXFCSA-N 2 0 264.388 2.926 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158801 383046861 /nfs/dbraw/zinc/04/68/61/383046861.db2.gz DJQKTBQDPVJANJ-IRXDYDNUSA-N 3 0 273.424 2.595 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423179243 383047491 /nfs/dbraw/zinc/04/74/91/383047491.db2.gz JKCDFJHXPZYYJJ-AXFHLTTASA-N 2 0 252.324 2.695 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423185588 383048703 /nfs/dbraw/zinc/04/87/03/383048703.db2.gz NYSUGMCCFLESRD-OIISXLGYSA-N 2 0 291.414 2.654 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423185598 383049206 /nfs/dbraw/zinc/04/92/06/383049206.db2.gz NYSUGMCCFLESRD-USXIJHARSA-N 2 0 291.414 2.654 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423285042 383055305 /nfs/dbraw/zinc/05/53/05/383055305.db2.gz ZFBUWQSNTUKPIQ-BLLLJJGKSA-N 2 0 292.398 2.801 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000423292983 383056661 /nfs/dbraw/zinc/05/66/61/383056661.db2.gz PFBHKBBMCBVZNM-XJIUQZFPSA-N 2 0 275.440 2.525 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423300720 383056689 /nfs/dbraw/zinc/05/66/89/383056689.db2.gz FAVBMRVITMBKEG-ZANVPECISA-N 2 0 283.213 2.621 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000423298293 383057041 /nfs/dbraw/zinc/05/70/41/383057041.db2.gz NZJWNMIOQSSNKV-JSGCOSHPSA-N 2 0 293.386 2.706 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000423295329 383057088 /nfs/dbraw/zinc/05/70/88/383057088.db2.gz WPOXGBVWYBYJPG-BLLLJJGKSA-N 2 0 284.407 2.607 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CCc2cc(F)ccc21 ZINC000423293720 383057112 /nfs/dbraw/zinc/05/71/12/383057112.db2.gz AOTSPOLXQRKLHH-HIFRSBDPSA-N 2 0 250.361 2.920 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423392226 383079607 /nfs/dbraw/zinc/07/96/07/383079607.db2.gz LMEKXHGJZONKBK-WVZRYYJFSA-N 2 0 276.424 2.775 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423351506 383060239 /nfs/dbraw/zinc/06/02/39/383060239.db2.gz IKTIOKRLCUVXLQ-LBPRGKRZSA-N 2 0 280.362 2.795 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000423357628 383062212 /nfs/dbraw/zinc/06/22/12/383062212.db2.gz MKWIMMXJROVGNS-OAGGEKHMSA-N 2 0 296.455 2.620 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356144 383062641 /nfs/dbraw/zinc/06/26/41/383062641.db2.gz JDZXVUIYLKQGFH-IUODEOHRSA-N 2 0 260.381 2.501 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000423362077 383064058 /nfs/dbraw/zinc/06/40/58/383064058.db2.gz ATUSMCDQKSBICA-UHIISALHSA-N 2 0 284.350 2.937 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423360421 383064098 /nfs/dbraw/zinc/06/40/98/383064098.db2.gz FMCZWUAOQISOGC-FVQBIDKESA-N 2 0 261.413 2.652 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cnc2ccsc2c1 ZINC000423363322 383065105 /nfs/dbraw/zinc/06/51/05/383065105.db2.gz BUVRJOMTDKTSAX-GMXVVIOVSA-N 2 0 275.421 2.945 20 0 CFADRP c1cncc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCC2)c1 ZINC000423366022 383066190 /nfs/dbraw/zinc/06/61/90/383066190.db2.gz XBAANXCSGAQJKQ-CVEARBPZSA-N 2 0 259.397 2.655 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423366086 383066332 /nfs/dbraw/zinc/06/63/32/383066332.db2.gz BMXVLCRBWOKJLR-BPUTZDHNSA-N 2 0 284.407 2.793 20 0 CFADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423368961 383067276 /nfs/dbraw/zinc/06/72/76/383067276.db2.gz DOLWCJOYBRJKMU-ZACQAIPSSA-N 2 0 256.393 2.958 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000552071090 383068296 /nfs/dbraw/zinc/06/82/96/383068296.db2.gz OYUYUOVMVYAZEU-CABCVRRESA-N 2 0 288.439 2.680 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000423371866 383068694 /nfs/dbraw/zinc/06/86/94/383068694.db2.gz FXTWIPMHLHYRNY-PBHICJAKSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423371260 383068995 /nfs/dbraw/zinc/06/89/95/383068995.db2.gz FHLXPOUEGJNTEC-LZWOXQAQSA-N 2 0 261.413 2.523 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423376686 383070896 /nfs/dbraw/zinc/07/08/96/383070896.db2.gz YLDWIYCMJSECHQ-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423376820 383071168 /nfs/dbraw/zinc/07/11/68/383071168.db2.gz LGGFCBAUBIPOJL-JKIFEVAISA-N 2 0 298.434 2.972 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC000423380442 383073642 /nfs/dbraw/zinc/07/36/42/383073642.db2.gz MQYQMBYCWODZGM-YALNPMBYSA-N 2 0 273.424 2.838 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cn1 ZINC000423384928 383076600 /nfs/dbraw/zinc/07/66/00/383076600.db2.gz LDNRHUZJVAOTNH-LLVKDONJSA-N 2 0 271.339 2.675 20 0 CFADRP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246453462 383076871 /nfs/dbraw/zinc/07/68/71/383076871.db2.gz FBEJVQCDSFBSAX-GOEBONIOSA-N 2 0 250.430 2.981 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(C)c(C)c2)CC[NH2+]CC1 ZINC000423386233 383077401 /nfs/dbraw/zinc/07/74/01/383077401.db2.gz JEHZSURSWNSFJH-MRXNPFEDSA-N 2 0 290.451 2.970 20 0 CFADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000579475350 383019184 /nfs/dbraw/zinc/01/91/84/383019184.db2.gz KSHOSFJMWJXLMC-WMZOPIPTSA-N 2 0 299.418 2.847 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423030712 383019693 /nfs/dbraw/zinc/01/96/93/383019693.db2.gz UFNUFGAMLZCHRD-ZNMIVQPWSA-N 2 0 268.445 2.689 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1F ZINC000423031086 383020932 /nfs/dbraw/zinc/02/09/32/383020932.db2.gz WNXKWEQYTZLJFT-SCRDCRAPSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423032808 383022365 /nfs/dbraw/zinc/02/23/65/383022365.db2.gz NDXARBDBWQGLAI-CZUORRHYSA-N 2 0 279.403 2.605 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423033437 383022669 /nfs/dbraw/zinc/02/26/69/383022669.db2.gz GRQKRCCWJWNDLO-HSOILSAZSA-N 2 0 252.324 2.825 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423037488 383023678 /nfs/dbraw/zinc/02/36/78/383023678.db2.gz WBGURYMFNLTPOX-AAEUAGOBSA-N 2 0 286.341 2.754 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423040316 383024964 /nfs/dbraw/zinc/02/49/64/383024964.db2.gz GUNWJEHVADHCTJ-NEPJUHHUSA-N 2 0 299.821 2.775 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423041662 383026061 /nfs/dbraw/zinc/02/60/61/383026061.db2.gz XPTAOTDJYBVCIR-WQVCFCJDSA-N 2 0 280.387 2.763 20 0 CFADRP CC1=CC[N@H+](CCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423040497 383026356 /nfs/dbraw/zinc/02/63/56/383026356.db2.gz UINOBTOZRFBDSW-RTBURBONSA-N 2 0 299.462 2.721 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CC[NH2+]CC1 ZINC000423044290 383027005 /nfs/dbraw/zinc/02/70/05/383027005.db2.gz QUYGGDBGGVUZJZ-LLVKDONJSA-N 2 0 286.341 2.978 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1c(C)oc2ccccc21 ZINC000423044111 383027541 /nfs/dbraw/zinc/02/75/41/383027541.db2.gz AUMGFIFXNVZIRQ-ZDUSSCGKSA-N 2 0 276.380 2.585 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)CCC[NH3+] ZINC000423043865 383027736 /nfs/dbraw/zinc/02/77/36/383027736.db2.gz AEPVWYSBCNYBQX-ZFWWWQNUSA-N 2 0 276.424 2.832 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423493764 383119960 /nfs/dbraw/zinc/11/99/60/383119960.db2.gz RDIKNXWYRWFCPL-ROUUACIJSA-N 2 0 288.435 2.886 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C2CC2)c1 ZINC000423494626 383120681 /nfs/dbraw/zinc/12/06/81/383120681.db2.gz SKWVLOBDQMTPTA-KYJSFNMBSA-N 2 0 288.435 2.733 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423496564 383121437 /nfs/dbraw/zinc/12/14/37/383121437.db2.gz WZSWLZBZXYPVPO-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423516042 383125072 /nfs/dbraw/zinc/12/50/72/383125072.db2.gz ANCWYQJHZIZWCW-GFCCVEGCSA-N 2 0 265.426 2.561 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423539482 383126141 /nfs/dbraw/zinc/12/61/41/383126141.db2.gz IKKRVDRGVRYCPP-BSDSXHPESA-N 2 0 272.436 2.985 20 0 CFADRP C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538798 383126269 /nfs/dbraw/zinc/12/62/69/383126269.db2.gz HEGBDHHNOOCVRO-MZBWOGCUSA-N 2 0 262.441 2.933 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)c1 ZINC000423540929 383126448 /nfs/dbraw/zinc/12/64/48/383126448.db2.gz RDZMPNBWSXTDNB-AWEZNQCLSA-N 2 0 274.408 2.964 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000246974404 383127695 /nfs/dbraw/zinc/12/76/95/383127695.db2.gz JHLNAGVAAVANLN-LRDDRELGSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000246999389 383130861 /nfs/dbraw/zinc/13/08/61/383130861.db2.gz KOLKHWUEHYWMRM-BBWFWOEESA-N 2 0 281.488 2.713 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000554376835 383132500 /nfs/dbraw/zinc/13/25/00/383132500.db2.gz GRDRPMOHRKYNBQ-RYRKJORJSA-N 2 0 296.499 2.884 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247016312 383132930 /nfs/dbraw/zinc/13/29/30/383132930.db2.gz MPMGEJFIFNHJBM-JKSUJKDBSA-N 2 0 276.424 2.836 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccnc1 ZINC000247059817 383138367 /nfs/dbraw/zinc/13/83/67/383138367.db2.gz MNEZPEUEHRBEEZ-OIISXLGYSA-N 2 0 275.440 2.894 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(C)nn(C)c1C ZINC000339068175 383138951 /nfs/dbraw/zinc/13/89/51/383138951.db2.gz PRNQEEIVVNSRJA-PMPSAXMXSA-N 2 0 290.455 2.704 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247094216 383142425 /nfs/dbraw/zinc/14/24/25/383142425.db2.gz PPAZEJPSTKOTNC-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCCC1 ZINC000423395234 383081087 /nfs/dbraw/zinc/08/10/87/383081087.db2.gz AERMZOCTGAEMFI-MRXNPFEDSA-N 2 0 282.472 2.951 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000423394773 383081237 /nfs/dbraw/zinc/08/12/37/383081237.db2.gz SIDSKWSFYNMRTJ-QEJZJMRPSA-N 2 0 292.423 2.885 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000423393973 383081249 /nfs/dbraw/zinc/08/12/49/383081249.db2.gz MNONONWNPGJBLE-IGCXYCKISA-N 2 0 258.409 2.824 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@@H]1OC ZINC000246564694 383081433 /nfs/dbraw/zinc/08/14/33/383081433.db2.gz XJHVIVBJWRFKPP-JKJDWNRSSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000423397845 383082057 /nfs/dbraw/zinc/08/20/57/383082057.db2.gz UZYMQVVHZXGLOI-COXVUDFISA-N 2 0 258.409 2.738 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C12CCCCC2 ZINC000423396679 383082381 /nfs/dbraw/zinc/08/23/81/383082381.db2.gz SHNWTGQURBTMSZ-FXUDXRNXSA-N 2 0 280.456 2.974 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cccn2)cc1 ZINC000423399658 383083075 /nfs/dbraw/zinc/08/30/75/383083075.db2.gz PSQNLNUIBGVULJ-GRDNDAEWSA-N 2 0 284.407 2.521 20 0 CFADRP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000552406645 383084562 /nfs/dbraw/zinc/08/45/62/383084562.db2.gz HPXISOQZKOXDPE-YJBOKZPZSA-N 2 0 294.483 2.924 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423407030 383084969 /nfs/dbraw/zinc/08/49/69/383084969.db2.gz LOVMOQOCMOYBMZ-GJZGRUSLSA-N 2 0 270.461 2.807 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC23CCCC3)CC[NH2+]CC1 ZINC000423406687 383085123 /nfs/dbraw/zinc/08/51/23/383085123.db2.gz LADOFUUDEMEMCA-OAHLLOKOSA-N 2 0 280.456 2.705 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@@H]2CCCO[C@H]21 ZINC000423407323 383086362 /nfs/dbraw/zinc/08/63/62/383086362.db2.gz ZVDGFJOPBVDZIN-GVDBMIGSSA-N 2 0 286.419 2.583 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423408691 383086516 /nfs/dbraw/zinc/08/65/16/383086516.db2.gz XVJCMCWXRFUMRY-LYSZQXJVSA-N 2 0 280.456 2.844 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408390 383086701 /nfs/dbraw/zinc/08/67/01/383086701.db2.gz AGZRPLCLOQJYMM-CZUORRHYSA-N 2 0 273.424 2.652 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423410039 383086757 /nfs/dbraw/zinc/08/67/57/383086757.db2.gz ZOLVCIIUAKFXOA-XYPHTWIQSA-N 2 0 258.409 2.595 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2csc(C)c2)CC[NH2+]CC1 ZINC000423407486 383087089 /nfs/dbraw/zinc/08/70/89/383087089.db2.gz MJMNDPYCFYMNCZ-CYBMUJFWSA-N 2 0 282.453 2.723 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000423416937 383089277 /nfs/dbraw/zinc/08/92/77/383089277.db2.gz DSNPRLQLQDTTEX-DARAHFNDSA-N 2 0 250.430 2.920 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000423418158 383090046 /nfs/dbraw/zinc/09/00/46/383090046.db2.gz GXARUUOLCMEQDN-BZUAXINKSA-N 2 0 280.456 2.690 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423417845 383090191 /nfs/dbraw/zinc/09/01/91/383090191.db2.gz GFZAKHZSRUXHHR-KLHDSHLOSA-N 2 0 268.445 2.546 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cncc(F)c1 ZINC000423423696 383090868 /nfs/dbraw/zinc/09/08/68/383090868.db2.gz MJXFBZFROQFVOC-AVGNSLFASA-N 2 0 265.376 2.636 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)c1ccc(Cl)cc1 ZINC000423423786 383090873 /nfs/dbraw/zinc/09/08/73/383090873.db2.gz FFEMUROEQCOONH-KKGDDVQDSA-N 2 0 264.800 2.639 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000423426037 383091647 /nfs/dbraw/zinc/09/16/47/383091647.db2.gz OWBZBUVUNQMHFY-VGWMRTNUSA-N 2 0 282.472 2.933 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423433609 383094786 /nfs/dbraw/zinc/09/47/86/383094786.db2.gz KBDNJNSHVLQUQK-XUWVNRHRSA-N 2 0 280.456 2.558 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423439580 383096146 /nfs/dbraw/zinc/09/61/46/383096146.db2.gz OAUOXYWONYAWDO-QKPAOTATSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000423441664 383096787 /nfs/dbraw/zinc/09/67/87/383096787.db2.gz UQTABQLGBMETJJ-BXUZGUMPSA-N 2 0 293.386 2.706 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423442242 383098273 /nfs/dbraw/zinc/09/82/73/383098273.db2.gz BLOSMNAQLBJMLU-JKSUJKDBSA-N 2 0 264.413 2.555 20 0 CFADRP CC(C)(C)C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000423445453 383099014 /nfs/dbraw/zinc/09/90/14/383099014.db2.gz XWBQPOQWYZZTIJ-XUWVNRHRSA-N 2 0 258.409 2.971 20 0 CFADRP Clc1cccc([C@H]2CC[C@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000423445831 383099024 /nfs/dbraw/zinc/09/90/24/383099024.db2.gz BZNHOGDEXYIQPB-AFHWFKKNSA-N 2 0 276.811 2.784 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000584404695 383099418 /nfs/dbraw/zinc/09/94/18/383099418.db2.gz MPJNIOGYBSYVJL-NXEZZACHSA-N 2 0 258.768 2.985 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423448366 383099649 /nfs/dbraw/zinc/09/96/49/383099649.db2.gz QDRGLSUTXTYDAM-DARAHFNDSA-N 2 0 276.424 2.696 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])s1 ZINC000423458149 383102884 /nfs/dbraw/zinc/10/28/84/383102884.db2.gz PUUMNULBNPVKIN-NXEZZACHSA-N 2 0 255.431 2.792 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H](C)CCC[NH3+] ZINC000423458627 383102907 /nfs/dbraw/zinc/10/29/07/383102907.db2.gz QHVPHQWIHKYEQC-WBVHZDCISA-N 2 0 278.440 2.945 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000423462374 383104242 /nfs/dbraw/zinc/10/42/42/383104242.db2.gz PAAOSDCIFKNZOA-KCQAQPDRSA-N 2 0 264.417 2.632 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(OC)c1 ZINC000423460216 383104366 /nfs/dbraw/zinc/10/43/66/383104366.db2.gz MBLROZQPZWJFEE-IHRRRGAJSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ncc(Br)s1 ZINC000423462877 383105311 /nfs/dbraw/zinc/10/53/11/383105311.db2.gz UTMQJSMGKSNOHS-HTQZYQBOSA-N 2 0 292.246 2.684 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423465969 383105681 /nfs/dbraw/zinc/10/56/81/383105681.db2.gz AGETZYWWSOTPRW-RDJZCZTQSA-N 2 0 275.440 2.915 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423464872 383105967 /nfs/dbraw/zinc/10/59/67/383105967.db2.gz RHNORNIJLFSNCU-MELADBBJSA-N 2 0 262.397 2.863 20 0 CFADRP Fc1cncc([C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423466394 383106007 /nfs/dbraw/zinc/10/60/07/383106007.db2.gz AMRFPZHTDKALMG-HOTGVXAUSA-N 2 0 277.387 2.794 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423478986 383112727 /nfs/dbraw/zinc/11/27/27/383112727.db2.gz UZJNBDFXRMMMKY-SCRDCRAPSA-N 2 0 280.412 2.523 20 0 CFADRP COC1(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000339000352 383114017 /nfs/dbraw/zinc/11/40/17/383114017.db2.gz KWRADRHDLOQQPF-MRXNPFEDSA-N 2 0 280.456 2.896 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1(C)C ZINC000423485457 383116412 /nfs/dbraw/zinc/11/64/12/383116412.db2.gz RQBRKZLEHDWNAX-HRCADAONSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423488538 383118370 /nfs/dbraw/zinc/11/83/70/383118370.db2.gz DVLZVOLUDZXUPS-LESCRADOSA-N 2 0 298.434 2.709 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCS1 ZINC000247443941 383173115 /nfs/dbraw/zinc/17/31/15/383173115.db2.gz XOGYTUZIYRDOMM-KGLIPLIRSA-N 2 0 256.459 2.544 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000517395760 383180662 /nfs/dbraw/zinc/18/06/62/383180662.db2.gz OWMWFUMQDOSUOL-LBPRGKRZSA-N 2 0 266.433 2.627 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000449146421 383180871 /nfs/dbraw/zinc/18/08/71/383180871.db2.gz CFQYTAHRRWLHDW-TWMKSMIVSA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CC2(C)CC2)CC1 ZINC000566597211 383192497 /nfs/dbraw/zinc/19/24/97/383192497.db2.gz QKIZVGCAMZCOAN-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000518339203 383195196 /nfs/dbraw/zinc/19/51/96/383195196.db2.gz VCKOZDSDCHPMGC-FRRDWIJNSA-N 2 0 252.427 2.657 20 0 CFADRP Cc1cccc(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000449281649 383197112 /nfs/dbraw/zinc/19/71/12/383197112.db2.gz DUFUYRWOUGXKRK-KRWDZBQOSA-N 2 0 260.425 2.954 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCC2)[C@@H](C)C1 ZINC000247936775 383200699 /nfs/dbraw/zinc/20/06/99/383200699.db2.gz CPRDGJRZUJDKCG-UXLLHSPISA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000247971648 383202813 /nfs/dbraw/zinc/20/28/13/383202813.db2.gz HIRSDHJIBOWGSQ-SOLBZPMBSA-N 2 0 289.467 2.579 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C)c1 ZINC000248041374 383207377 /nfs/dbraw/zinc/20/73/77/383207377.db2.gz SZWBHQTZAGYBHA-DLBZAZTESA-N 2 0 289.467 2.894 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC1([NH3+])CCCCC1 ZINC000518753831 383207374 /nfs/dbraw/zinc/20/73/74/383207374.db2.gz MUYCVDUESOBDPC-ZDUSSCGKSA-N 2 0 250.386 2.852 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000247140305 383147700 /nfs/dbraw/zinc/14/77/00/383147700.db2.gz SFRFIDSBKKBUMR-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000247222453 383154180 /nfs/dbraw/zinc/15/41/80/383154180.db2.gz XUJWUSWDHDDQGO-MAUKXSAKSA-N 3 0 289.467 2.568 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1 ZINC000449076396 383162868 /nfs/dbraw/zinc/16/28/68/383162868.db2.gz HAOPLUQLQFUELY-OAHLLOKOSA-N 2 0 291.439 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@@H](C)C1 ZINC000247327101 383163679 /nfs/dbraw/zinc/16/36/79/383163679.db2.gz WPEJEWPOZBAOBI-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449078738 383163759 /nfs/dbraw/zinc/16/37/59/383163759.db2.gz MVUWLFAZERSLHF-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000567234901 383254470 /nfs/dbraw/zinc/25/44/70/383254470.db2.gz QKODAVDJOWVMFS-NXEZZACHSA-N 2 0 294.349 2.570 20 0 CFADRP COCC[NH2+]C1CC[NH+](CCCC(C)(C)C)CC1 ZINC000567280194 383259092 /nfs/dbraw/zinc/25/90/92/383259092.db2.gz SYZPCVYTWQYSKW-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000248569836 383261238 /nfs/dbraw/zinc/26/12/38/383261238.db2.gz QKRYFFKEIMXCMX-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CCOCC3)CC2)C1 ZINC000449403991 383268333 /nfs/dbraw/zinc/26/83/33/383268333.db2.gz SQLSTNJSXCLNRC-MAUKXSAKSA-N 2 0 292.467 2.966 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000248162075 383215679 /nfs/dbraw/zinc/21/56/79/383215679.db2.gz SICPMZAVBCQEQU-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000566837134 383216919 /nfs/dbraw/zinc/21/69/19/383216919.db2.gz YMOKDZAGGJREKJ-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1cccc(CC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000449332714 383221885 /nfs/dbraw/zinc/22/18/85/383221885.db2.gz SBOAXDDKSLMRAU-QZTJIDSGSA-N 2 0 272.436 2.954 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000567483075 383279809 /nfs/dbraw/zinc/27/98/09/383279809.db2.gz JPJLVBBUKQNEIP-LSDHHAIUSA-N 2 0 272.477 2.740 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248450210 383245211 /nfs/dbraw/zinc/24/52/11/383245211.db2.gz IMYHZFZRWOKMQW-NVXWUHKLSA-N 2 0 292.398 2.763 20 0 CFADRP CCCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1C ZINC000634732198 383333606 /nfs/dbraw/zinc/33/36/06/383333606.db2.gz AMHITRSPNRRJKA-OAHLLOKOSA-N 2 0 292.471 2.778 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732375 383333828 /nfs/dbraw/zinc/33/38/28/383333828.db2.gz DYSWCDPLYUPMOJ-AWEZNQCLSA-N 2 0 286.423 2.511 20 0 CFADRP Cn1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(C(C)(C)C)n1 ZINC000634732379 383334008 /nfs/dbraw/zinc/33/40/08/383334008.db2.gz FBJQIHXCFXQFLB-AWEZNQCLSA-N 2 0 292.471 2.585 20 0 CFADRP CCc1ncc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000634732970 383335320 /nfs/dbraw/zinc/33/53/20/383335320.db2.gz SQJDPQSSTYSFMX-LLVKDONJSA-N 2 0 267.442 2.573 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732923 383335609 /nfs/dbraw/zinc/33/56/09/383335609.db2.gz RWFACNXOAKEYKB-AWEZNQCLSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1F ZINC000567515965 383284032 /nfs/dbraw/zinc/28/40/32/383284032.db2.gz OZRKWBGNFULPBF-GUTXKFCHSA-N 2 0 294.414 2.825 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449427804 383287645 /nfs/dbraw/zinc/28/76/45/383287645.db2.gz PLTXTWOLMDKKCD-XYVMCAHJSA-N 2 0 294.483 2.780 20 0 CFADRP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CC1CCCC1 ZINC000567606020 383292250 /nfs/dbraw/zinc/29/22/50/383292250.db2.gz QFFOSCVOAAPNTA-OFLPRAFFSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000248829442 383294880 /nfs/dbraw/zinc/29/48/80/383294880.db2.gz DUQLGPHUOYAEGN-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c(F)c1 ZINC000568031367 383346947 /nfs/dbraw/zinc/34/69/47/383346947.db2.gz VQQCCBRUFLDFTA-UHFFFAOYSA-N 2 0 289.354 2.937 20 0 CFADRP C[NH+](CC(O)C[N@@H+](C)C1CC(C)(C)C1)C1CC(C)(C)C1 ZINC000459750372 383295690 /nfs/dbraw/zinc/29/56/90/383295690.db2.gz ZVFGAUNCGURVFL-UHFFFAOYSA-N 2 0 282.472 2.588 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000459775663 383296816 /nfs/dbraw/zinc/29/68/16/383296816.db2.gz JOSKDNRUYMJCTD-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567642437 383296804 /nfs/dbraw/zinc/29/68/04/383296804.db2.gz BDRMBCWTZDVSFQ-HUBLWGQQSA-N 2 0 283.847 2.658 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000567638478 383297083 /nfs/dbraw/zinc/29/70/83/383297083.db2.gz DYAODRDCEMHXQL-OAHLLOKOSA-N 2 0 291.395 2.820 20 0 CFADRP COC1(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000459796069 383297902 /nfs/dbraw/zinc/29/79/02/383297902.db2.gz WBDRAOPWXSCMKP-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000567654837 383298109 /nfs/dbraw/zinc/29/81/09/383298109.db2.gz NWIRXDPZDQDKFO-SWLSCSKDSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567646214 383298762 /nfs/dbraw/zinc/29/87/62/383298762.db2.gz WDIFUEDVPJETDR-HZSPNIEDSA-N 2 0 250.386 2.578 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1C ZINC000248884450 383302785 /nfs/dbraw/zinc/30/27/85/383302785.db2.gz LRYMMIHZXJQPBO-DLBZAZTESA-N 2 0 288.435 2.920 20 0 CFADRP CC/C=C/C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449455121 383303369 /nfs/dbraw/zinc/30/33/69/383303369.db2.gz KTIATWKJEZVNRX-SNAWJCMRSA-N 2 0 256.353 2.632 20 0 CFADRP CC(C)[NH2+]CCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248888779 383304425 /nfs/dbraw/zinc/30/44/25/383304425.db2.gz ANWCDCBKVUHABV-SJORKVTESA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000634680225 383309613 /nfs/dbraw/zinc/30/96/13/383309613.db2.gz OIVUQLPQYRMZQF-KGLIPLIRSA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000634683365 383312836 /nfs/dbraw/zinc/31/28/36/383312836.db2.gz PTXCIFGWBVAZHI-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000634683362 383312898 /nfs/dbraw/zinc/31/28/98/383312898.db2.gz PTXCIFGWBVAZHI-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634687488 383318904 /nfs/dbraw/zinc/31/89/04/383318904.db2.gz MSOADSRNPAMYSL-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000634688166 383320355 /nfs/dbraw/zinc/32/03/55/383320355.db2.gz JYWNHTRVHRNEPR-GDBMZVCRSA-N 2 0 255.365 2.594 20 0 CFADRP c1cnc2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000634688634 383321275 /nfs/dbraw/zinc/32/12/75/383321275.db2.gz YSUBKKYGCLMRJH-SFHVURJKSA-N 2 0 281.403 2.810 20 0 CFADRP [NH3+]C[C@@H]1CCN(CCCC2CC[NH2+]CC2)c2ccccc21 ZINC000634690297 383321417 /nfs/dbraw/zinc/32/14/17/383321417.db2.gz IGPVMWNJBTVKMV-INIZCTEOSA-N 2 0 287.451 2.719 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000251438684 383388317 /nfs/dbraw/zinc/38/83/17/383388317.db2.gz AGRQKKAZQWZOPM-UBHSHLNASA-N 2 0 276.380 2.583 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@]1(C)CCCO1 ZINC000340256909 383393423 /nfs/dbraw/zinc/39/34/23/383393423.db2.gz KGJINKODHOVREF-PBHICJAKSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1[nH+]ccc(NC2CC[NH+](CC3CC3)CC2)c1Cl ZINC000478212105 383393515 /nfs/dbraw/zinc/39/35/15/383393515.db2.gz UENSIOYDKXENIL-UHFFFAOYSA-N 2 0 279.815 2.752 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251780032 383396792 /nfs/dbraw/zinc/39/67/92/383396792.db2.gz MXHRIKCLAHELHV-GXFFZTMASA-N 2 0 288.313 2.754 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000568415088 383401807 /nfs/dbraw/zinc/40/18/07/383401807.db2.gz GJHIFGOKYINZEI-STQMWFEESA-N 2 0 267.442 2.634 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000568512307 383410408 /nfs/dbraw/zinc/41/04/08/383410408.db2.gz WGNWXFXVUAHSDB-OAHLLOKOSA-N 2 0 256.349 2.906 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1CC(F)(F)C1 ZINC000450440891 383412665 /nfs/dbraw/zinc/41/26/65/383412665.db2.gz OTFPZFGAHABJGN-CYBMUJFWSA-N 2 0 260.372 2.838 20 0 CFADRP O=C1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000450444589 383413073 /nfs/dbraw/zinc/41/30/73/383413073.db2.gz XRLZDPHRVROKQQ-INIZCTEOSA-N 2 0 278.440 2.554 20 0 CFADRP CO[C@H]([C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000449625131 383357502 /nfs/dbraw/zinc/35/75/02/383357502.db2.gz AXNUTLADRGQZPF-IUODEOHRSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)C1CCC([NH+]2CCN(CC(C)(C)[NH3+])CC2)CC1 ZINC000469974238 383375155 /nfs/dbraw/zinc/37/51/55/383375155.db2.gz RDEAXCBIMZAPEN-UHFFFAOYSA-N 2 0 281.488 2.556 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250579268 383377894 /nfs/dbraw/zinc/37/78/94/383377894.db2.gz MWDDIGMOJBZCQM-GVDBMIGSSA-N 2 0 274.408 2.706 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000250632277 383378507 /nfs/dbraw/zinc/37/85/07/383378507.db2.gz MIQOKJQLQDSQFV-ZFWWWQNUSA-N 2 0 262.397 2.645 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248349 383381912 /nfs/dbraw/zinc/38/19/12/383381912.db2.gz OIKLSCBGLAAJTK-MSOLQXFVSA-N 2 0 289.467 2.886 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000474734603 383384841 /nfs/dbraw/zinc/38/48/41/383384841.db2.gz UMSDUAJEOBFFRL-ZWKOTPCHSA-N 2 0 296.499 2.885 20 0 CFADRP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000261573976 285023620 /nfs/dbraw/zinc/02/36/20/285023620.db2.gz WLIMPVGRNCXAHI-ZIAGYGMSSA-N 2 0 262.397 2.775 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+][C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000340459514 383424315 /nfs/dbraw/zinc/42/43/15/383424315.db2.gz UXAGDJUMDIMJLZ-SVGFKBNWSA-N 2 0 258.409 2.862 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3nccnc3c2)C1 ZINC000634960685 383427069 /nfs/dbraw/zinc/42/70/69/383427069.db2.gz ZOJDFEFGBAMSQY-INIZCTEOSA-N 2 0 298.434 2.840 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634960060 383427160 /nfs/dbraw/zinc/42/71/60/383427160.db2.gz IYXHQGZENGVYGK-UHFFFAOYSA-N 2 0 291.370 2.788 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473014 383431350 /nfs/dbraw/zinc/43/13/50/383431350.db2.gz JUSDGZBRNUDEDL-ZIAGYGMSSA-N 2 0 256.434 2.510 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc21 ZINC000568749181 383432737 /nfs/dbraw/zinc/43/27/37/383432737.db2.gz YSXZIBAQRNYQMF-CVEARBPZSA-N 2 0 296.370 2.692 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252764118 383433388 /nfs/dbraw/zinc/43/33/88/383433388.db2.gz HSEAJGFUFYXWOF-NJZAAPMLSA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252769784 383433669 /nfs/dbraw/zinc/43/36/69/383433669.db2.gz KRGWQLJMIASWIT-DZGCQCFKSA-N 2 0 262.397 2.643 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252776928 383433853 /nfs/dbraw/zinc/43/38/53/383433853.db2.gz ONFMKMHHLRZTSH-LSDHHAIUSA-N 2 0 292.423 2.523 20 0 CFADRP COC(=O)C1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000340475046 383434519 /nfs/dbraw/zinc/43/45/19/383434519.db2.gz JUADNKXKVQJTRF-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1nccn1C ZINC000340477999 383435374 /nfs/dbraw/zinc/43/53/74/383435374.db2.gz PHLUXKWCYGFNBS-HNNXBMFYSA-N 2 0 278.444 2.727 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)C1 ZINC000568768438 383436209 /nfs/dbraw/zinc/43/62/09/383436209.db2.gz SLKUXRQRVURVRE-LSDHHAIUSA-N 2 0 274.408 2.977 20 0 CFADRP C[C@H](CC[NH2+]Cc1ccc2nccnc2c1)[NH+]1CCCCC1 ZINC000634976432 383437141 /nfs/dbraw/zinc/43/71/41/383437141.db2.gz WPHTVFWMAMCQKO-OAHLLOKOSA-N 2 0 298.434 2.984 20 0 CFADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cnn(C)c1 ZINC000340478571 383437287 /nfs/dbraw/zinc/43/72/87/383437287.db2.gz RYJYCYGXWPBIFN-MRXNPFEDSA-N 2 0 278.444 2.727 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000252888646 383438500 /nfs/dbraw/zinc/43/85/00/383438500.db2.gz BHMIRVALRCTQIT-XJKSGUPXSA-N 2 0 269.392 2.665 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](CO)C2CCCCC2)CC1 ZINC000340483014 383438934 /nfs/dbraw/zinc/43/89/34/383438934.db2.gz GZOPHKLRQQCOIS-INIZCTEOSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000568845300 383440996 /nfs/dbraw/zinc/44/09/96/383440996.db2.gz UAUKAFQZQIGYSY-TUKIKUTGSA-N 2 0 264.438 2.657 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000340507022 383447611 /nfs/dbraw/zinc/44/76/11/383447611.db2.gz FIRHPXMLQDNDJV-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000340516532 383451987 /nfs/dbraw/zinc/45/19/87/383451987.db2.gz JODQYDHVUNBKMI-IAGOWNOFSA-N 2 0 292.471 2.762 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340517756 383452023 /nfs/dbraw/zinc/45/20/23/383452023.db2.gz GBKFSVFIPLRWRF-VQHPVUNQSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC3(CCSCC3)CC2)CC[NH2+]1 ZINC000634999639 383457095 /nfs/dbraw/zinc/45/70/95/383457095.db2.gz XFRFMZGWTFPDBZ-GJZGRUSLSA-N 2 0 282.497 2.984 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCC12CC2 ZINC000635002931 383459777 /nfs/dbraw/zinc/45/97/77/383459777.db2.gz BVOSFQUUGOGECD-IUODEOHRSA-N 2 0 259.397 2.832 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)C2 ZINC000635004014 383460453 /nfs/dbraw/zinc/46/04/53/383460453.db2.gz GPIBFASXCPZBQI-BPUTZDHNSA-N 2 0 288.435 2.660 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1Cl ZINC000635004134 383460552 /nfs/dbraw/zinc/46/05/52/383460552.db2.gz GZKJKJJXOMHEBC-NQBHXWOUSA-N 2 0 297.830 2.912 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000635005023 383460658 /nfs/dbraw/zinc/46/06/58/383460658.db2.gz GVKAMLPXAAOHFL-LZWOXQAQSA-N 2 0 273.424 2.706 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000635005026 383461092 /nfs/dbraw/zinc/46/10/92/383461092.db2.gz GVKAMLPXAAOHFL-YCPHGPKFSA-N 2 0 273.424 2.706 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635005641 383461714 /nfs/dbraw/zinc/46/17/14/383461714.db2.gz JLJZAWMWPNUJFM-DZKIICNBSA-N 2 0 273.424 2.693 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccsc1C(F)(F)F ZINC000635005803 383462178 /nfs/dbraw/zinc/46/21/78/383462178.db2.gz WSKSSBOJWSGZAA-JTQLQIEISA-N 2 0 296.358 2.610 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000635007308 383464116 /nfs/dbraw/zinc/46/41/16/383464116.db2.gz ATVJYZGMOQXMQC-MWDXBVQZSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635008741 383464225 /nfs/dbraw/zinc/46/42/25/383464225.db2.gz SRLYSUGECMUNGM-GDBMZVCRSA-N 2 0 269.392 2.692 20 0 CFADRP c1cc2c(o1)CCC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008401 383464365 /nfs/dbraw/zinc/46/43/65/383464365.db2.gz JNIHASXJGNKNBT-OAHLLOKOSA-N 2 0 298.390 2.574 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000635007484 383464821 /nfs/dbraw/zinc/46/48/21/383464821.db2.gz QKRHNPVHTUHJLV-YRGRVCCFSA-N 2 0 279.453 2.936 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccoc1 ZINC000635008906 383465221 /nfs/dbraw/zinc/46/52/21/383465221.db2.gz HOHCOOBFEIDGAW-LBPRGKRZSA-N 2 0 256.349 2.776 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)c(C)n1 ZINC000635009092 383466077 /nfs/dbraw/zinc/46/60/77/383466077.db2.gz SXRJZGVJLMCMBJ-DYVFJYSZSA-N 2 0 298.434 2.704 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000569083180 383466204 /nfs/dbraw/zinc/46/62/04/383466204.db2.gz WPHHLXUKZWGHBT-AWEZNQCLSA-N 2 0 284.407 2.556 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccncc1 ZINC000635011532 383466728 /nfs/dbraw/zinc/46/67/28/383466728.db2.gz QAMMATNWQOCZFK-CYBMUJFWSA-N 2 0 267.376 2.578 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cncs1 ZINC000635011027 383466740 /nfs/dbraw/zinc/46/67/40/383466740.db2.gz LVAHQFIYNPVNSZ-MNOVXSKESA-N 2 0 253.415 2.572 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635010508 383466807 /nfs/dbraw/zinc/46/68/07/383466807.db2.gz MUSBDZMJBMVLCB-KDOFPFPSSA-N 2 0 288.435 2.627 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000635011572 383468366 /nfs/dbraw/zinc/46/83/66/383468366.db2.gz QWYXGQUIUPHUIA-RBUKOAKNSA-N 2 0 293.414 2.567 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012299 383468520 /nfs/dbraw/zinc/46/85/20/383468520.db2.gz SFPCMKZARUOTHX-TZMCWYRMSA-N 2 0 250.386 2.578 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000635012670 383468619 /nfs/dbraw/zinc/46/86/19/383468619.db2.gz VDWXSXPHUPMKTK-GJZGRUSLSA-N 2 0 280.456 2.704 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635012933 383469483 /nfs/dbraw/zinc/46/94/83/383469483.db2.gz XHOTZNOKNLIRSR-SFHVURJKSA-N 2 0 293.414 2.895 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cncc(F)c1 ZINC000635013597 383469816 /nfs/dbraw/zinc/46/98/16/383469816.db2.gz ZMZBBDROXAGAPA-FZMZJTMJSA-N 2 0 265.376 2.650 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000635014256 383470542 /nfs/dbraw/zinc/47/05/42/383470542.db2.gz ZUULPZUZDBXJIX-SMDDNHRTSA-N 2 0 256.340 2.943 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000635013732 383470633 /nfs/dbraw/zinc/47/06/33/383470633.db2.gz VMOUTRHOQSGNAG-NWANDNLSSA-N 2 0 269.392 2.646 20 0 CFADRP C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000635013998 383470645 /nfs/dbraw/zinc/47/06/45/383470645.db2.gz XKRBTOKCUOMVGR-XHSDSOJGSA-N 2 0 280.456 2.846 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635013886 383470859 /nfs/dbraw/zinc/47/08/59/383470859.db2.gz XEOKDPRRORYTSS-DLBZAZTESA-N 2 0 274.408 2.509 20 0 CFADRP c1cnc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000635016556 383471770 /nfs/dbraw/zinc/47/17/70/383471770.db2.gz CPXOTPCAUFLPAK-YESZJQIVSA-N 2 0 281.403 2.713 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000428446777 383475190 /nfs/dbraw/zinc/47/51/90/383475190.db2.gz MLVDUEYKFOXWCW-AWEZNQCLSA-N 2 0 276.428 2.510 20 0 CFADRP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000486938536 383475785 /nfs/dbraw/zinc/47/57/85/383475785.db2.gz ILOIOJBXAUEGQT-PBHICJAKSA-N 2 0 293.499 2.569 20 0 CFADRP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568604674 383418117 /nfs/dbraw/zinc/41/81/17/383418117.db2.gz UELQZFSHMCYDKD-SUMWQHHRSA-N 2 0 280.456 2.654 20 0 CFADRP c1ccc2c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000252561137 383420031 /nfs/dbraw/zinc/42/00/31/383420031.db2.gz WDQNSVTZLSHGFT-KBPBESRZSA-N 2 0 283.375 2.510 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000340444404 383421513 /nfs/dbraw/zinc/42/15/13/383421513.db2.gz LXHVDIYXUFJGHS-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000488468767 383547600 /nfs/dbraw/zinc/54/76/00/383547600.db2.gz SQVGBCDDXKYUHK-DGCLKSJQSA-N 2 0 250.361 2.633 20 0 CFADRP C[C@]1(CN(Cc2ccc(F)cc2)C2CC2)CC[NH2+]C1 ZINC000261723931 383548479 /nfs/dbraw/zinc/54/84/79/383548479.db2.gz GHQMGOPOUHFKRL-INIZCTEOSA-N 2 0 262.372 2.790 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCC[C@H]1C ZINC000488002695 383486671 /nfs/dbraw/zinc/48/66/71/383486671.db2.gz ZCGZPESXHBZNGU-OWCLPIDISA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C/C=C\C[N@@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000255862859 383487516 /nfs/dbraw/zinc/48/75/16/383487516.db2.gz XHZGVORPGOXSKH-ARJAWSKDSA-N 2 0 296.418 2.597 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000257721064 383498171 /nfs/dbraw/zinc/49/81/71/383498171.db2.gz VORKNSGVXJIQOO-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP C/C(Cl)=C\C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000528363387 383502183 /nfs/dbraw/zinc/50/21/83/383502183.db2.gz DRXQXOVUHVTHFX-JLZUIIAYSA-N 2 0 286.847 2.563 20 0 CFADRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1SC ZINC000569463178 383502572 /nfs/dbraw/zinc/50/25/72/383502572.db2.gz MINYULWUHDANKD-UHFFFAOYSA-N 2 0 294.464 2.978 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000569472241 383503862 /nfs/dbraw/zinc/50/38/62/383503862.db2.gz PWDXJTLIHUULJX-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC000429001045 383504387 /nfs/dbraw/zinc/50/43/87/383504387.db2.gz UDULPLDHLLESBM-APWZRJJASA-N 2 0 284.447 2.819 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000261540126 383509003 /nfs/dbraw/zinc/50/90/03/383509003.db2.gz DTYUFWBEKRHGAM-AAEUAGOBSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261548755 383509568 /nfs/dbraw/zinc/50/95/68/383509568.db2.gz DFKBJXMECGZEEM-STQMWFEESA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000261558019 383512043 /nfs/dbraw/zinc/51/20/43/383512043.db2.gz SCXIWEUXQQXGJN-ZANVPECISA-N 2 0 256.752 2.567 20 0 CFADRP CC(C)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000488295529 383514810 /nfs/dbraw/zinc/51/48/10/383514810.db2.gz LTKNTIMIBPUDIP-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP [NH3+]CC[C@H]1CCCCN1Cc1cnc(C2CC2)s1 ZINC000569577740 383515551 /nfs/dbraw/zinc/51/55/51/383515551.db2.gz ZZQGAXJHNAAGOQ-GFCCVEGCSA-N 2 0 265.426 2.724 20 0 CFADRP C[C@@H](c1nc(-c2cccs2)no1)N1CC[C@](C)(C[NH3+])C1 ZINC000261739258 383550988 /nfs/dbraw/zinc/55/09/88/383550988.db2.gz OXXYAMKRAYGZDY-IINYFYTJSA-N 2 0 292.408 2.530 20 0 CFADRP C/C(Cl)=C\C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528392506 383516690 /nfs/dbraw/zinc/51/66/90/383516690.db2.gz DKSNAFRHYYOLAR-LNKIKWGQSA-N 2 0 286.847 2.706 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@H](C)[C@H]1OC ZINC000429312662 383518981 /nfs/dbraw/zinc/51/89/81/383518981.db2.gz CDCZFKCTDIEOMA-CAOSSQGBSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000261587773 383520467 /nfs/dbraw/zinc/52/04/67/383520467.db2.gz JOMZBFXGCQPKOY-ZWNOBZJWSA-N 2 0 272.314 2.793 20 0 CFADRP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000450851706 383520959 /nfs/dbraw/zinc/52/09/59/383520959.db2.gz BVXBSTRLLKDVJF-KBAYOESNSA-N 2 0 290.451 2.567 20 0 CFADRP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(OC)cc1 ZINC000261597836 383525145 /nfs/dbraw/zinc/52/51/45/383525145.db2.gz PEYNITPPYSLYEO-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261595826 383525402 /nfs/dbraw/zinc/52/54/02/383525402.db2.gz OKWOYJFGSWAIGY-HOTGVXAUSA-N 2 0 262.372 2.962 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000569673890 383525424 /nfs/dbraw/zinc/52/54/24/383525424.db2.gz VAZLHVZCCMHQME-BXUZGUMPSA-N 2 0 290.436 2.745 20 0 CFADRP OCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261596635 383525590 /nfs/dbraw/zinc/52/55/90/383525590.db2.gz LSSZMKQDPHBQIS-RCCFBDPRSA-N 2 0 288.435 2.579 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488417868 383533727 /nfs/dbraw/zinc/53/37/27/383533727.db2.gz SFJVRZWMLGVLJU-JHJVBQTASA-N 2 0 258.475 2.836 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488419815 383533996 /nfs/dbraw/zinc/53/39/96/383533996.db2.gz KNNQXSNHXBQHHR-LXTVHRRPSA-N 2 0 252.446 2.989 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000569746703 383535135 /nfs/dbraw/zinc/53/51/35/383535135.db2.gz BTWDOIXCPHXQRW-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000261644345 383536036 /nfs/dbraw/zinc/53/60/36/383536036.db2.gz AODACJLUHNBHKO-ZFWWWQNUSA-N 2 0 264.438 2.589 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000429529726 383539966 /nfs/dbraw/zinc/53/99/66/383539966.db2.gz QKVIIKBZUHLHLQ-KRWDZBQOSA-N 2 0 298.434 2.788 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000488449626 383542508 /nfs/dbraw/zinc/54/25/08/383542508.db2.gz PSMGXUPMPJZWQG-GJZGRUSLSA-N 2 0 270.486 2.838 20 0 CFADRP Cc1ccccc1C[C@@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000261875630 383574361 /nfs/dbraw/zinc/57/43/61/383574361.db2.gz VSGLLKIYEBGXCP-OAHLLOKOSA-N 2 0 260.425 2.857 20 0 CFADRP CCc1cccc(OCC[NH+]2CCC(C[NH2+]C)CC2)c1 ZINC000430915346 383611243 /nfs/dbraw/zinc/61/12/43/383611243.db2.gz CIICTBVRLGROKR-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP Clc1cccnc1C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261924158 383580307 /nfs/dbraw/zinc/58/03/07/383580307.db2.gz KWOYNYVSLPXDBZ-CYBMUJFWSA-N 2 0 293.842 2.914 20 0 CFADRP c1nc(C2CC2)oc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000570259874 383587989 /nfs/dbraw/zinc/58/79/89/383587989.db2.gz LOEJVGCMHWEKET-UHFFFAOYSA-N 2 0 298.390 2.706 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261980374 383589531 /nfs/dbraw/zinc/58/95/31/383589531.db2.gz JDXXIOWQDYZFRT-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP C(COCC1CCCC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000570283703 383591023 /nfs/dbraw/zinc/59/10/23/383591023.db2.gz LLFGERINJFPJJI-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000261985098 383591297 /nfs/dbraw/zinc/59/12/97/383591297.db2.gz RVDCBGNHXHWCTC-NQZOLGFYSA-N 2 0 276.399 2.988 20 0 CFADRP Cc1nc2ccc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cc2s1 ZINC000261999455 383592196 /nfs/dbraw/zinc/59/21/96/383592196.db2.gz TZCCXFKJUPLIHU-OAHLLOKOSA-N 2 0 275.421 2.775 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261995411 383592344 /nfs/dbraw/zinc/59/23/44/383592344.db2.gz STQYXQCLMSPTCH-UONOGXRCSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261999410 383592785 /nfs/dbraw/zinc/59/27/85/383592785.db2.gz LELGIFOLRHFUSJ-PVAVHDDUSA-N 2 0 258.409 2.864 20 0 CFADRP COc1c(C)cnc(CN2C[C@@H]([NH3+])Cc3ccccc32)c1C ZINC000262010603 383593331 /nfs/dbraw/zinc/59/33/31/383593331.db2.gz WIWUEBTVMHJDRY-HNNXBMFYSA-N 2 0 297.402 2.597 20 0 CFADRP C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262011034 383593606 /nfs/dbraw/zinc/59/36/06/383593606.db2.gz VCCXBILOWFSBIB-JQWIXIFHSA-N 2 0 264.335 2.649 20 0 CFADRP CC(C)[C@@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000528635929 383593854 /nfs/dbraw/zinc/59/38/54/383593854.db2.gz BGUBEWWEJRVZRR-KRWDZBQOSA-N 2 0 298.434 2.752 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C ZINC000262007941 383593990 /nfs/dbraw/zinc/59/39/90/383593990.db2.gz UVAGURVYQDYXAB-JYJNAYRXSA-N 2 0 274.408 2.563 20 0 CFADRP c1sc(CN2CC[C@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000262017734 383594864 /nfs/dbraw/zinc/59/48/64/383594864.db2.gz MXKCEMBJQZRSQN-KRWDZBQOSA-N 2 0 299.443 2.996 20 0 CFADRP C[N@H+](CC1CC[NH2+]CC1)C(C)(C)CN1CCCCCC1 ZINC000262021897 383595851 /nfs/dbraw/zinc/59/58/51/383595851.db2.gz WEIPQOLXCIHUOH-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000451355734 383596086 /nfs/dbraw/zinc/59/60/86/383596086.db2.gz WCTFZXKYVXHBNY-KZNAEPCWSA-N 2 0 294.483 2.878 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262034335 383597169 /nfs/dbraw/zinc/59/71/69/383597169.db2.gz OISCUUJAZHOCMM-NVXWUHKLSA-N 2 0 258.409 2.784 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccnn2-c2ccccc2C)CC1 ZINC000262030786 383597454 /nfs/dbraw/zinc/59/74/54/383597454.db2.gz XCVCQVDVYIBYBX-UHFFFAOYSA-N 2 0 298.434 2.612 20 0 CFADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000262097005 383605217 /nfs/dbraw/zinc/60/52/17/383605217.db2.gz VFFDRMMHBMWRLJ-ROUUACIJSA-N 2 0 287.451 2.889 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000262097003 383605291 /nfs/dbraw/zinc/60/52/91/383605291.db2.gz VFFDRMMHBMWRLJ-MSOLQXFVSA-N 2 0 287.451 2.889 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000262097004 383605455 /nfs/dbraw/zinc/60/54/55/383605455.db2.gz VFFDRMMHBMWRLJ-QZTJIDSGSA-N 2 0 287.451 2.889 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430927876 383612629 /nfs/dbraw/zinc/61/26/29/383612629.db2.gz JQTXXXVFALBXRZ-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000262125281 383606719 /nfs/dbraw/zinc/60/67/19/383606719.db2.gz XQCZEIIFEPYXFQ-BZUAXINKSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(F)ccc1CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000262128657 383607258 /nfs/dbraw/zinc/60/72/58/383607258.db2.gz XWSUUOJFVZFKLJ-HNNXBMFYSA-N 2 0 250.361 2.566 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262118974 383607761 /nfs/dbraw/zinc/60/77/61/383607761.db2.gz LQWQTWOKCUGFNA-PEYYIBSZSA-N 2 0 294.826 2.908 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000262140262 383608385 /nfs/dbraw/zinc/60/83/85/383608385.db2.gz POXYJJHZVLMIBP-MRXNPFEDSA-N 2 0 264.413 2.645 20 0 CFADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1C ZINC000261801993 383562830 /nfs/dbraw/zinc/56/28/30/383562830.db2.gz GZOLCBGLHDUJLA-ZDUSSCGKSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1nc(C)c(C)c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1 ZINC000488728596 383570621 /nfs/dbraw/zinc/57/06/21/383570621.db2.gz CPIPVBBASYOMMR-LBPRGKRZSA-N 2 0 288.439 2.712 20 0 CFADRP Cc1nc2cc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])ccc2[nH]1 ZINC000263167215 383655684 /nfs/dbraw/zinc/65/56/84/383655684.db2.gz FIFOHIYAWXUCSQ-BLLLJJGKSA-N 2 0 286.379 2.717 20 0 CFADRP C[C@H]1C[N@H+](CCOc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430970882 383617806 /nfs/dbraw/zinc/61/78/06/383617806.db2.gz IYDXBRAHSJQOOG-WMLDXEAASA-N 2 0 284.403 2.888 20 0 CFADRP CCc1ccc(CC[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430966972 383618077 /nfs/dbraw/zinc/61/80/77/383618077.db2.gz QPLDTPPTNGZUCP-CQSZACIVSA-N 2 0 260.425 2.851 20 0 CFADRP C[N@H+](CCC[C@@H]1CCOC1)CC[C@H]1CCCC[NH+]1C ZINC000645808466 383755638 /nfs/dbraw/zinc/75/56/38/383755638.db2.gz QCHRSVJQNADXLU-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP C(=C\c1ccccc1)\C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000572121269 383756999 /nfs/dbraw/zinc/75/69/99/383756999.db2.gz NAAUDROYVQJGQX-DAXSKMNVSA-N 2 0 256.393 2.775 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645843208 383766438 /nfs/dbraw/zinc/76/64/38/383766438.db2.gz DJSMFRKTKBUNQR-KRWDZBQOSA-N 2 0 282.472 2.857 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CCC1 ZINC000453107232 383767932 /nfs/dbraw/zinc/76/79/32/383767932.db2.gz KVWVVXPXGIHRQI-AEFFLSMTSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000453106873 383768017 /nfs/dbraw/zinc/76/80/17/383768017.db2.gz JIKMLVQDOTWWOY-KFWWJZLASA-N 2 0 276.428 2.599 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453122445 383775009 /nfs/dbraw/zinc/77/50/09/383775009.db2.gz XQPZEBMOQFLPAK-QZTJIDSGSA-N 2 0 294.483 2.782 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cn[nH]c1 ZINC000453126839 383777331 /nfs/dbraw/zinc/77/73/31/383777331.db2.gz LEFZSLZNLJBWNF-DZKIICNBSA-N 2 0 278.444 2.961 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCC[C@H]12 ZINC000571031929 383660925 /nfs/dbraw/zinc/66/09/25/383660925.db2.gz VKBZAFAYOYOCRA-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)o1 ZINC000571030969 383661074 /nfs/dbraw/zinc/66/10/74/383661074.db2.gz XQEKXOKWHBVVRA-AWEZNQCLSA-N 2 0 293.455 2.573 20 0 CFADRP CC(C)[C@@H](CO)[C@H]([NH2+]CCC[NH+]1CCCCC1)C(C)C ZINC000451600512 383665595 /nfs/dbraw/zinc/66/55/95/383665595.db2.gz RYHOKLUHTSZYKA-IAGOWNOFSA-N 2 0 284.488 2.741 20 0 CFADRP CN(CCC[N@H+](C)C/C=C\c1ccccc1)CC[NH+](C)C ZINC000571126398 383666749 /nfs/dbraw/zinc/66/67/49/383666749.db2.gz FWINBOWXZANHTO-WQLSENKSSA-N 2 0 289.467 2.515 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000572374140 383778497 /nfs/dbraw/zinc/77/84/97/383778497.db2.gz BMFKHWVZRASAPW-BFHYXJOUSA-N 2 0 286.423 2.614 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)CN(C)CC ZINC000571175749 383670539 /nfs/dbraw/zinc/67/05/39/383670539.db2.gz LZSIUDWPVSLVPI-ZWKOTPCHSA-N 2 0 292.467 2.642 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000571176397 383672147 /nfs/dbraw/zinc/67/21/47/383672147.db2.gz MHXNFCPAHHPFTN-KGLIPLIRSA-N 2 0 269.392 2.713 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000645336528 383674506 /nfs/dbraw/zinc/67/45/06/383674506.db2.gz FCGNEQDVHPNQIS-RDJZCZTQSA-N 2 0 289.423 2.594 20 0 CFADRP COCC[NH2+]C1CC[NH+](CCCc2ccccc2C)CC1 ZINC000571217156 383674654 /nfs/dbraw/zinc/67/46/54/383674654.db2.gz ACNMGNSAVMIJQC-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(F)C2)[C@H](C)C1 ZINC000453234430 383810464 /nfs/dbraw/zinc/81/04/64/383810464.db2.gz IKONHTNQTYOTSK-YHNBSYBMSA-N 2 0 286.435 2.604 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(C)(F)C2)[C@H](C)C1 ZINC000453234424 383810631 /nfs/dbraw/zinc/81/06/31/383810631.db2.gz IKONHTNQTYOTSK-CIDNJEQPSA-N 2 0 286.435 2.604 20 0 CFADRP Cc1noc(C)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530194 383818116 /nfs/dbraw/zinc/81/81/16/383818116.db2.gz AKTBCQYLBXEIKS-UHFFFAOYSA-N 2 0 279.428 2.989 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCCO1 ZINC000640532203 383818496 /nfs/dbraw/zinc/81/84/96/383818496.db2.gz QWLAXPCQLSOJHV-MRXNPFEDSA-N 2 0 268.445 2.753 20 0 CFADRP CCn1ccnc1CN(C)CCCC[NH+]1CCCCC1 ZINC000640530903 383818531 /nfs/dbraw/zinc/81/85/31/383818531.db2.gz HXNHZERKCFVDPF-UHFFFAOYSA-N 2 0 278.444 2.601 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000572797097 383818608 /nfs/dbraw/zinc/81/86/08/383818608.db2.gz HLHNMRGOYURAOU-ULQDDVLXSA-N 2 0 283.504 2.817 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1cscn1 ZINC000640535041 383820026 /nfs/dbraw/zinc/82/00/26/383820026.db2.gz YYAMOHHMIUPPMG-UHFFFAOYSA-N 2 0 281.469 2.884 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1cncs1 ZINC000640534038 383820242 /nfs/dbraw/zinc/82/02/42/383820242.db2.gz JMLWRNDVTKUNSH-UHFFFAOYSA-N 2 0 281.469 2.884 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H]1COC(C)(C)C1 ZINC000640534066 383820257 /nfs/dbraw/zinc/82/02/57/383820257.db2.gz KJPAZOYDYMVJJW-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP COc1ccc(OCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422905286 533010911 /nfs/dbraw/zinc/01/09/11/533010911.db2.gz YYWKJNCFXKOJRJ-WMLDXEAASA-N 2 0 292.423 2.571 20 0 CFADRP CC1CCC(O)(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000572512253 383788877 /nfs/dbraw/zinc/78/88/77/383788877.db2.gz LOWIDKJUEGYGEK-MSJJKYGJSA-N 2 0 280.456 2.533 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000572571437 383794056 /nfs/dbraw/zinc/79/40/56/383794056.db2.gz BLXKGFNXURURFQ-KRWDZBQOSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000453185697 383794656 /nfs/dbraw/zinc/79/46/56/383794656.db2.gz XVCMJJCNWGLZDM-OAHLLOKOSA-N 2 0 273.424 2.644 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000572593443 383796236 /nfs/dbraw/zinc/79/62/36/383796236.db2.gz XOBXUJWVTOYFTM-OAHLLOKOSA-N 2 0 250.361 2.866 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000530866360 383799108 /nfs/dbraw/zinc/79/91/08/383799108.db2.gz NZCRATPGUUVGHC-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436291401 383801331 /nfs/dbraw/zinc/80/13/31/383801331.db2.gz QREAYHRTMHJGLN-LBPRGKRZSA-N 2 0 275.371 2.738 20 0 CFADRP CCC1C[NH+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000453601830 383869615 /nfs/dbraw/zinc/86/96/15/383869615.db2.gz HXIITHSSGVOFPA-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646104324 383872682 /nfs/dbraw/zinc/87/26/82/383872682.db2.gz AADAKBHDLVXJPS-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP CCc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104286 383873135 /nfs/dbraw/zinc/87/31/35/383873135.db2.gz IEEDIVWDHVLRJQ-UHFFFAOYSA-N 2 0 288.435 2.546 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CC[C@@H]1CCCC[NH+]1C)CCOCC2 ZINC000646101031 383873149 /nfs/dbraw/zinc/87/31/49/383873149.db2.gz USROUEQCMCPBDE-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CC1CCC(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000646105945 383874111 /nfs/dbraw/zinc/87/41/11/383874111.db2.gz NHBULTIRKHCVSD-UHFFFAOYSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000531706581 383907726 /nfs/dbraw/zinc/90/77/26/383907726.db2.gz HSBIMXTWUBGTRZ-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000573338119 383913986 /nfs/dbraw/zinc/91/39/86/383913986.db2.gz DPIGCDXNQBXQCH-FGTMMUONSA-N 3 0 293.499 2.891 20 0 CFADRP CSc1cccc(F)c1C[NH2+][C@@H](C)CCC[NH3+] ZINC000423098704 533017896 /nfs/dbraw/zinc/01/78/96/533017896.db2.gz DJJXFPJMLZZTSB-JTQLQIEISA-N 2 0 256.390 2.765 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000422720147 533020584 /nfs/dbraw/zinc/02/05/84/533020584.db2.gz ZVAXETMMXHSULS-PMPSAXMXSA-N 2 0 270.461 2.935 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532124844 383980062 /nfs/dbraw/zinc/98/00/62/383980062.db2.gz IHZXQXKQPWTGOR-QZTJIDSGSA-N 2 0 293.499 2.811 20 0 CFADRP CC[C@H](COC)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000265698988 383981196 /nfs/dbraw/zinc/98/11/96/383981196.db2.gz QCFWECWAQWXJBC-MRXNPFEDSA-N 2 0 294.439 2.532 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)C1CCCC1)C1CCOCC1 ZINC000532215711 383993798 /nfs/dbraw/zinc/99/37/98/383993798.db2.gz OESATTBBCKKVMR-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[C@H](C)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000573471903 383936997 /nfs/dbraw/zinc/93/69/97/383936997.db2.gz QETILWYLDFEKAA-HNNXBMFYSA-N 2 0 290.455 2.928 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(-c2ccnn2C)c1 ZINC000573488787 383938240 /nfs/dbraw/zinc/93/82/40/383938240.db2.gz CPPGYPNEKYZECB-UONOGXRCSA-N 2 0 286.423 2.611 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)C1CCOCC1 ZINC000531937495 383943138 /nfs/dbraw/zinc/94/31/38/383943138.db2.gz FUHUKCDULPFZPI-VYDXJSESSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](c2ccccc2F)C1 ZINC000423094058 533021637 /nfs/dbraw/zinc/02/16/37/533021637.db2.gz JDKHONYHVUIJSJ-KKUMJFAQSA-N 2 0 294.414 2.805 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531962864 383948195 /nfs/dbraw/zinc/94/81/95/383948195.db2.gz ARWLZHJUBOHEDY-CHWSQXEVSA-N 2 0 289.423 2.562 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCC(C)(C)C)CC[NH2+]CC1 ZINC000573594019 383958793 /nfs/dbraw/zinc/95/87/93/383958793.db2.gz GUYBQSADGIHMKB-CQSZACIVSA-N 2 0 298.471 2.724 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000423095843 533022181 /nfs/dbraw/zinc/02/21/81/533022181.db2.gz NEEYXWJPBHURQA-BPUTZDHNSA-N 2 0 296.842 2.930 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000573888270 384004952 /nfs/dbraw/zinc/00/49/52/384004952.db2.gz LPBIIZUMGDRENW-OAHLLOKOSA-N 2 0 272.436 2.721 20 0 CFADRP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000532440991 384029131 /nfs/dbraw/zinc/02/91/31/384029131.db2.gz KTRDRCRBBUMQDN-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CCOCC1 ZINC000532448185 384031496 /nfs/dbraw/zinc/03/14/96/384031496.db2.gz DLSBXMPIUKOFKW-DOTOQJQBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@@H](C)S1 ZINC000070387941 412974342 /nfs/dbraw/zinc/97/43/42/412974342.db2.gz ZYELNJUVHPROGP-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC000070359133 412974373 /nfs/dbraw/zinc/97/43/73/412974373.db2.gz XUTJWWSIFKKBDA-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP COC1([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)CCCC1 ZINC000421855301 533027655 /nfs/dbraw/zinc/02/76/55/533027655.db2.gz MFDBTRWIBNWHJJ-AWEZNQCLSA-N 2 0 268.445 2.798 20 0 CFADRP [NH3+]C[C@H](C[N@@H+]1CC[C@H](c2cccnc2)C1)c1ccc(F)cc1 ZINC000574452942 384098413 /nfs/dbraw/zinc/09/84/13/384098413.db2.gz PWNYHJTTXUOIIQ-DLBZAZTESA-N 2 0 299.393 2.753 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C3CC3)s2)C1 ZINC000574538933 384112733 /nfs/dbraw/zinc/11/27/33/384112733.db2.gz INCNIDUIKYPXJS-GFCCVEGCSA-N 2 0 279.453 2.842 20 0 CFADRP CC[N@H+](Cc1c(C)nc2ccccn21)[C@H]1CCC[NH2+]CC1 ZINC000435616337 285091763 /nfs/dbraw/zinc/09/17/63/285091763.db2.gz SAFSXMWXLBSDOM-HNNXBMFYSA-N 2 0 286.423 2.607 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000266877777 384252083 /nfs/dbraw/zinc/25/20/83/384252083.db2.gz UZVDJMPTEIOOSD-BBRMVZONSA-N 2 0 294.414 2.996 20 0 CFADRP CC(C)c1noc([C@@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000266891493 384255993 /nfs/dbraw/zinc/25/59/93/384255993.db2.gz CVAKBYMSDHWXIY-VXGBXAGGSA-N 2 0 289.383 2.857 20 0 CFADRP CC[C@@](C)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637904121 384265329 /nfs/dbraw/zinc/26/53/29/384265329.db2.gz APRNVRDWRRLNJV-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637905941 384267001 /nfs/dbraw/zinc/26/70/01/384267001.db2.gz PDNZOCXLUVHVOE-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccncc2N)C1 ZINC000641707584 384278194 /nfs/dbraw/zinc/27/81/94/384278194.db2.gz IUKJMGLDEFVPBF-HUUCEWRRSA-N 2 0 290.455 2.512 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000641707425 384278220 /nfs/dbraw/zinc/27/82/20/384278220.db2.gz LPIDMJLPRDGECR-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000641741689 384308321 /nfs/dbraw/zinc/30/83/21/384308321.db2.gz PDJMPADBACOQBB-FZCLSBEQSA-N 2 0 294.483 2.923 20 0 CFADRP Nc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000641707906 384280160 /nfs/dbraw/zinc/28/01/60/384280160.db2.gz NMYKKXUFHYKOCG-UHFFFAOYSA-N 2 0 296.418 2.549 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000641707737 384280455 /nfs/dbraw/zinc/28/04/55/384280455.db2.gz PMOVTOGRWOJNBH-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1Cc2ccccc2N1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000641806103 384374009 /nfs/dbraw/zinc/37/40/09/384374009.db2.gz CDDCLCQIWIVYKO-HZPDHXFCSA-N 2 0 299.462 2.512 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641800080 384366403 /nfs/dbraw/zinc/36/64/03/384366403.db2.gz VHPNBUKOWJPBKY-JKSUJKDBSA-N 2 0 278.440 2.554 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000641800077 384367661 /nfs/dbraw/zinc/36/76/61/384367661.db2.gz VHPNBUKOWJPBKY-CVEARBPZSA-N 2 0 278.440 2.554 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCSc1ccc(F)cc1 ZINC000641801808 384369518 /nfs/dbraw/zinc/36/95/18/384369518.db2.gz VUPUVNBNUCXHDR-OLZOCXBDSA-N 2 0 268.401 2.633 20 0 CFADRP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000267465917 384397510 /nfs/dbraw/zinc/39/75/10/384397510.db2.gz WKTKUVDWTNJAAT-CQSZACIVSA-N 2 0 299.374 2.561 20 0 CFADRP CC[C@](C)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000638104619 384419132 /nfs/dbraw/zinc/41/91/32/384419132.db2.gz LABJYRGVBUARFC-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCSCC2)C[C@@H]1C ZINC000638110115 384420856 /nfs/dbraw/zinc/42/08/56/384420856.db2.gz ITTCIBURAHEKRM-DZGCQCFKSA-N 2 0 270.486 2.934 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C)ns2)[C@@H](C)C1 ZINC000638111918 384424685 /nfs/dbraw/zinc/42/46/85/384424685.db2.gz HFJHTNBKSRAQLL-SMDDNHRTSA-N 2 0 267.442 2.614 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1nsc2ccccc21 ZINC000641823638 384380879 /nfs/dbraw/zinc/38/08/79/384380879.db2.gz SYSOTJQXZXIVGG-QWRGUYRKSA-N 2 0 261.394 2.608 20 0 CFADRP CC[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC000642651240 384445001 /nfs/dbraw/zinc/44/50/01/384445001.db2.gz PHTRPNHCSVHHGA-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCCCC1 ZINC000638114921 384428538 /nfs/dbraw/zinc/42/85/38/384428538.db2.gz ZRBAORXMLYASLB-INIZCTEOSA-N 2 0 297.487 2.522 20 0 CFADRP FCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000281131671 195116728 /nfs/dbraw/zinc/11/67/28/195116728.db2.gz TVIMOQWKDSOTTJ-YESZJQIVSA-N 2 0 276.399 2.846 20 0 CFADRP FCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000281131655 195116930 /nfs/dbraw/zinc/11/69/30/195116930.db2.gz TVIMOQWKDSOTTJ-BRWVUGGUSA-N 2 0 276.399 2.846 20 0 CFADRP c1ccc(C[NH+]2C[C@@H]3C[NH+](CC4CCC4)C[C@H]3C2)cc1 ZINC000348330056 220291077 /nfs/dbraw/zinc/29/10/77/220291077.db2.gz MOMGDRRJQQAYGY-QZTJIDSGSA-N 2 0 270.420 2.850 20 0 CFADRP Cc1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278039577 384464226 /nfs/dbraw/zinc/46/42/26/384464226.db2.gz XJADCSFCFMDDEX-INIZCTEOSA-N 2 0 276.424 2.586 20 0 CFADRP CC(C)C1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000638176725 384471512 /nfs/dbraw/zinc/47/15/12/384471512.db2.gz GTUUONRFCCGXIW-LSDHHAIUSA-N 2 0 250.430 2.839 20 0 CFADRP CCCc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000643017567 384477080 /nfs/dbraw/zinc/47/70/80/384477080.db2.gz LFVFMVKTGZPPGJ-FZKQIMNGSA-N 2 0 299.418 2.740 20 0 CFADRP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@H]3CCOC3)C2)cc1 ZINC000289413770 197336142 /nfs/dbraw/zinc/33/61/42/197336142.db2.gz AMFLYMXGTGHDNE-ROUUACIJSA-N 2 0 288.435 2.667 20 0 CFADRP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c2cc(F)ccc2[nH+]1 ZINC000643030510 384479678 /nfs/dbraw/zinc/47/96/78/384479678.db2.gz WLUCVVZBZVKJMI-STQMWFEESA-N 2 0 273.355 2.786 20 0 CFADRP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C[NH+](C)C)c1 ZINC000638258118 384514927 /nfs/dbraw/zinc/51/49/27/384514927.db2.gz XVFWBPKPQFAADK-GOEBONIOSA-N 2 0 275.440 2.951 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC1(F)F ZINC000638305525 384545208 /nfs/dbraw/zinc/54/52/08/384545208.db2.gz AKYZQCTYVOXPED-OLZOCXBDSA-N 2 0 260.372 2.742 20 0 CFADRP COCC1(C[NH2+]CCC[NH+]2CCC(C)CC2)CCC1 ZINC000638307013 384547716 /nfs/dbraw/zinc/54/77/16/384547716.db2.gz RPFIGJVTIXDEKJ-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccccc32)CCCO1 ZINC000278381805 384548731 /nfs/dbraw/zinc/54/87/31/384548731.db2.gz CJRJZNFHCZNTPO-YJBOKZPZSA-N 2 0 288.435 2.764 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000638315527 384552862 /nfs/dbraw/zinc/55/28/62/384552862.db2.gz HRJGAMLDQLQQNU-UHFFFAOYSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H]1C ZINC000638299653 384541407 /nfs/dbraw/zinc/54/14/07/384541407.db2.gz KSKWSSNNUMMSFW-YCPHGPKFSA-N 2 0 282.472 2.636 20 0 CFADRP COc1cccc(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638360572 384584776 /nfs/dbraw/zinc/58/47/76/384584776.db2.gz WJVWBZHYNOVRGZ-AWEZNQCLSA-N 2 0 274.408 2.578 20 0 CFADRP C[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000638362763 384586221 /nfs/dbraw/zinc/58/62/21/384586221.db2.gz DXAOJXPABNFHLM-YIYPIFLZSA-N 2 0 256.459 2.590 20 0 CFADRP CO[C@H](C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000638367744 384593286 /nfs/dbraw/zinc/59/32/86/384593286.db2.gz XVVWUKLXECYKGV-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H](C[NH2+]CCCC[NH+]1CCC(C)CC1)C1CC1 ZINC000638369394 384595219 /nfs/dbraw/zinc/59/52/19/384595219.db2.gz GUHRDTSGLSZEBP-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638450788 384668160 /nfs/dbraw/zinc/66/81/60/384668160.db2.gz HOKVGRONHQSVOL-QGZVFWFLSA-N 2 0 290.451 2.963 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H](Cc2ccccc2)OC)C1 ZINC000638450830 384669204 /nfs/dbraw/zinc/66/92/04/384669204.db2.gz IWVXAYDMFLCHGX-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638452337 384670760 /nfs/dbraw/zinc/67/07/60/384670760.db2.gz XMGNCLWQZTYFIK-FPCVCCKLSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000643503471 384672885 /nfs/dbraw/zinc/67/28/85/384672885.db2.gz CBIHQXLODGKUMA-BMGDILEWSA-N 2 0 272.436 2.912 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000643457306 384638026 /nfs/dbraw/zinc/63/80/26/384638026.db2.gz UIVFFCUPEAOQGL-VMWRSERWSA-N 2 0 298.434 2.732 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638423077 384642370 /nfs/dbraw/zinc/64/23/70/384642370.db2.gz NNXIVDVSJWDWDB-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462852 384644526 /nfs/dbraw/zinc/64/45/26/384644526.db2.gz NAFJGIBPUIEOAM-JSGCOSHPSA-N 2 0 297.393 2.651 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466847 384645996 /nfs/dbraw/zinc/64/59/96/384645996.db2.gz SQDHGJLTHKYCGR-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2c(F)c(F)cc(F)c2F)CC1 ZINC000643465952 384646723 /nfs/dbraw/zinc/64/67/23/384646723.db2.gz BRYSJEBCYSIRNJ-UHFFFAOYSA-N 2 0 290.304 2.850 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000643468307 384648597 /nfs/dbraw/zinc/64/85/97/384648597.db2.gz NMMUCCBJZQSKBQ-SKDZVZGDSA-N 2 0 286.419 2.878 20 0 CFADRP Cc1occc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643472173 384651887 /nfs/dbraw/zinc/65/18/87/384651887.db2.gz CXNFUHLMFOMIOX-WMZOPIPTSA-N 2 0 298.386 2.934 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000643475960 384654936 /nfs/dbraw/zinc/65/49/36/384654936.db2.gz ZAZWZMHPLOAKBL-LBDPXKHJSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000643475963 384655256 /nfs/dbraw/zinc/65/52/56/384655256.db2.gz ZAZWZMHPLOAKBL-LMPOIIKSSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccnn1C ZINC000643484298 384656549 /nfs/dbraw/zinc/65/65/49/384656549.db2.gz QRRZPSILLKAHQC-GVDBMIGSSA-N 2 0 298.434 2.894 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])CCO2 ZINC000643482404 384657504 /nfs/dbraw/zinc/65/75/04/384657504.db2.gz HOTRSBWNLIWFPT-TYNCELHUSA-N 2 0 278.396 2.624 20 0 CFADRP CCOc1ccc(C[C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000643493738 384661924 /nfs/dbraw/zinc/66/19/24/384661924.db2.gz GFWRFLZYNIZXQI-RVKKMQEKSA-N 2 0 290.451 2.994 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C2 ZINC000643545377 384724016 /nfs/dbraw/zinc/72/40/16/384724016.db2.gz GNNJBAVFNDGYLQ-IRXDYDNUSA-N 2 0 258.409 2.666 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545794 384724108 /nfs/dbraw/zinc/72/41/08/384724108.db2.gz CJIMVFPXZQPJJB-CZUORRHYSA-N 2 0 286.419 2.947 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000643518510 384684977 /nfs/dbraw/zinc/68/49/77/384684977.db2.gz REVXWHFWKJBKJE-JSGCOSHPSA-N 2 0 252.427 2.658 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000643520588 384686442 /nfs/dbraw/zinc/68/64/42/384686442.db2.gz FMUYVXQKSFGXDF-UGSOOPFHSA-N 2 0 287.451 2.966 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCCc3ccccc3C2)CCC[NH2+]C1 ZINC000643518736 384686649 /nfs/dbraw/zinc/68/66/49/384686649.db2.gz XLJDNUABQZIABI-ZWKOTPCHSA-N 2 0 272.436 2.913 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000643521721 384687066 /nfs/dbraw/zinc/68/70/66/384687066.db2.gz ZQMRRYLRWCIWRJ-PBHICJAKSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000643520587 384687499 /nfs/dbraw/zinc/68/74/99/384687499.db2.gz FMUYVXQKSFGXDF-SCLBCKFNSA-N 2 0 287.451 2.966 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CC1=CC[NH2+]CC1 ZINC000643520176 384687629 /nfs/dbraw/zinc/68/76/29/384687629.db2.gz XBGNKSGSARYTFR-CYBMUJFWSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1N(C)C ZINC000643522462 384689568 /nfs/dbraw/zinc/68/95/68/384689568.db2.gz NKGRFXKFOZCDEH-ZIAGYGMSSA-N 2 0 261.413 2.545 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000643548300 384726653 /nfs/dbraw/zinc/72/66/53/384726653.db2.gz XVCYGRGRIMZWQN-XPCVCDNBSA-N 2 0 274.433 2.811 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000643523631 384690814 /nfs/dbraw/zinc/69/08/14/384690814.db2.gz CFCXNWUBXGAQTM-QGZVFWFLSA-N 2 0 279.387 2.852 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000643524098 384691570 /nfs/dbraw/zinc/69/15/70/384691570.db2.gz ISPMLQZLZUABCH-KFWWJZLASA-N 2 0 263.360 2.531 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)ccc1F ZINC000643534484 384705296 /nfs/dbraw/zinc/70/52/96/384705296.db2.gz VWCFOVMVIGVQFR-HZMBPMFUSA-N 2 0 266.335 2.758 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1 ZINC000643534493 384705683 /nfs/dbraw/zinc/70/56/83/384705683.db2.gz VXFHHMDVTDWQFY-IINYFYTJSA-N 2 0 266.335 2.758 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535044 384707080 /nfs/dbraw/zinc/70/70/80/384707080.db2.gz ICZOFGVXMXJOOV-WQVCFCJDSA-N 2 0 256.393 2.652 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CCC(F)(F)CC1 ZINC000643534740 384707301 /nfs/dbraw/zinc/70/73/01/384707301.db2.gz BKLGRHAETLBELS-DGCLKSJQSA-N 2 0 272.383 2.932 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643534585 384707336 /nfs/dbraw/zinc/70/73/36/384707336.db2.gz YGTIQALIRJRPCD-CJNGLKHVSA-N 2 0 274.408 2.878 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534639 384707644 /nfs/dbraw/zinc/70/76/44/384707644.db2.gz ZEMPUJSPGGJXEJ-GJZGRUSLSA-N 2 0 260.356 2.545 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000643534673 384707839 /nfs/dbraw/zinc/70/78/39/384707839.db2.gz ZYIFILHOFVHCED-CABCVRRESA-N 2 0 260.356 2.545 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000643534717 384708137 /nfs/dbraw/zinc/70/81/37/384708137.db2.gz AWCCZYMOUWGDOF-ABAIWWIYSA-N 2 0 278.371 2.627 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cnn1C(C)(C)C ZINC000643535140 384709138 /nfs/dbraw/zinc/70/91/38/384709138.db2.gz JMVBMZYUEDPBNE-SWLSCSKDSA-N 2 0 290.455 2.739 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1(CC)CC ZINC000643535199 384709284 /nfs/dbraw/zinc/70/92/84/384709284.db2.gz KGOAWEWIGGNTNN-RBSFLKMASA-N 2 0 280.456 2.702 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000643535651 384709554 /nfs/dbraw/zinc/70/95/54/384709554.db2.gz HGMVKYAFGBZSCB-ILXRZTDVSA-N 2 0 250.430 2.933 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536451 384711090 /nfs/dbraw/zinc/71/10/90/384711090.db2.gz RCNCCNOYANWTSO-GDBMZVCRSA-N 2 0 272.392 2.501 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536569 384711327 /nfs/dbraw/zinc/71/13/27/384711327.db2.gz SDSCTHIZIPKYKC-GDBMZVCRSA-N 2 0 290.382 2.553 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC34CC[NH2+]CC4)C2)c1 ZINC000643536893 384713266 /nfs/dbraw/zinc/71/32/66/384713266.db2.gz XXGWMJPGWWEWMS-PVAVHDDUSA-N 2 0 285.435 2.840 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548955 384727928 /nfs/dbraw/zinc/72/79/28/384727928.db2.gz XXQDXJCRRKOMHS-RRFJBIMHSA-N 2 0 280.456 2.843 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000643541880 384721659 /nfs/dbraw/zinc/72/16/59/384721659.db2.gz KETXSZDMBHATKT-ZYHUDNBSSA-N 2 0 253.415 2.634 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000643541923 384722597 /nfs/dbraw/zinc/72/25/97/384722597.db2.gz SZPHPCZAUBTYRC-DZGCQCFKSA-N 2 0 261.413 2.881 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000643549108 384729001 /nfs/dbraw/zinc/72/90/01/384729001.db2.gz BBKRSRGUJLIXRS-YAMOITTJSA-N 2 0 292.373 2.930 20 0 CFADRP COCC1(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000638566219 384745909 /nfs/dbraw/zinc/74/59/09/384745909.db2.gz CYYIJQXPUKXTBQ-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCn1ccnc1C ZINC000279758755 384748581 /nfs/dbraw/zinc/74/85/81/384748581.db2.gz QZWMPRYQNPHUFG-RHSMWYFYSA-N 2 0 287.407 2.947 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000638568215 384748715 /nfs/dbraw/zinc/74/87/15/384748715.db2.gz XHEICRCUBYWZHC-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000423254395 533086522 /nfs/dbraw/zinc/08/65/22/533086522.db2.gz XYCXIKIRTYHXNO-DOMZBBRYSA-N 2 0 282.815 2.617 20 0 CFADRP Cc1ccncc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000279911618 384808236 /nfs/dbraw/zinc/80/82/36/384808236.db2.gz LXGUEGXZSRDGEA-OAHLLOKOSA-N 2 0 275.440 2.992 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]CCC1CC[NH+](CC)CC1)OC ZINC000638694023 384842370 /nfs/dbraw/zinc/84/23/70/384842370.db2.gz YVGFHAWLVYROHP-GOEBONIOSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC000638701918 384849068 /nfs/dbraw/zinc/84/90/68/384849068.db2.gz WTHXRGWEDLTRQS-IXIBIKRGSA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@H](C)C[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638702807 384851589 /nfs/dbraw/zinc/85/15/89/384851589.db2.gz SJVCTGLCUNOVEA-KBPBESRZSA-N 2 0 270.461 2.636 20 0 CFADRP CC[C@@](C)(C[NH2+]C1CCC(C[NH+](C)C)CC1)OC ZINC000638778798 384913152 /nfs/dbraw/zinc/91/31/52/384913152.db2.gz GGXRQRXJVDMUDR-NRXISQOPSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000644522447 384917974 /nfs/dbraw/zinc/91/79/74/384917974.db2.gz YKSWXLMZWPHMPQ-LSDHHAIUSA-N 2 0 276.424 2.531 20 0 CFADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000644532464 384921712 /nfs/dbraw/zinc/92/17/12/384921712.db2.gz RSUORPNSZODSRI-HZPDHXFCSA-N 2 0 290.451 2.922 20 0 CFADRP CC[C@@H](C(=O)Nc1cc(-c2ncc[nH]2)ccc1C)[NH+](C)C ZINC000280239477 384939180 /nfs/dbraw/zinc/93/91/80/384939180.db2.gz OVLDYDFYASOQEP-AWEZNQCLSA-N 2 0 286.379 2.664 20 0 CFADRP CN1CC[C@H]2CC[N@H+](CC(C)(C)Oc3ccccc3)[C@@H]2C1 ZINC000638919140 385031394 /nfs/dbraw/zinc/03/13/94/385031394.db2.gz ZLXOCDFKJJKUHS-DOTOQJQBSA-N 2 0 288.435 2.870 20 0 CFADRP CO[C@@](C)(C[NH2+]CC[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000639039058 385112086 /nfs/dbraw/zinc/11/20/86/385112086.db2.gz ZJZILFOZGWXXII-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@@H]1C ZINC000639044984 385120795 /nfs/dbraw/zinc/12/07/95/385120795.db2.gz RYZGVZVUKGZAIB-YCPHGPKFSA-N 2 0 282.472 2.636 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000270491367 385122455 /nfs/dbraw/zinc/12/24/55/385122455.db2.gz LXXCCDNDSBXBEC-OAHLLOKOSA-N 2 0 290.451 2.952 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000270425840 385100771 /nfs/dbraw/zinc/10/07/71/385100771.db2.gz GUSNYJUWQFAIGP-RDJZCZTQSA-N 2 0 290.451 2.950 20 0 CFADRP CCOC1CC(C[NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000639101558 385192455 /nfs/dbraw/zinc/19/24/55/385192455.db2.gz BLAWLNVOFOONSR-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](O)CC[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000639107207 385200917 /nfs/dbraw/zinc/20/09/17/385200917.db2.gz YXHFQVVDOOMAQZ-YXJHDRRASA-N 2 0 288.435 2.715 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CCCO1 ZINC000281177455 195135822 /nfs/dbraw/zinc/13/58/22/195135822.db2.gz HJKVOLPKQHZLBM-QGZVFWFLSA-N 2 0 285.391 2.873 20 0 CFADRP C[C@@H](c1ccncc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645186890 385231598 /nfs/dbraw/zinc/23/15/98/385231598.db2.gz SBSMUICAYRTFEI-HOCLYGCPSA-N 2 0 259.397 2.560 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)CC1CCSCC1 ZINC000639132278 385232910 /nfs/dbraw/zinc/23/29/10/385232910.db2.gz KMZHFZUMEPEVST-UHFFFAOYSA-N 2 0 256.459 2.547 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000645199587 385237986 /nfs/dbraw/zinc/23/79/86/385237986.db2.gz QPNDTVHEYNHULM-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000639108262 385202905 /nfs/dbraw/zinc/20/29/05/385202905.db2.gz WVJPAGYGICOHDK-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000639177326 385286650 /nfs/dbraw/zinc/28/66/50/385286650.db2.gz RTSLZAVUZXMTES-ZWKOTPCHSA-N 2 0 294.483 2.855 20 0 CFADRP c1cc2cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000282338778 385287469 /nfs/dbraw/zinc/28/74/69/385287469.db2.gz OQWCLCKSWWUOJS-IRXDYDNUSA-N 2 0 283.419 2.927 20 0 CFADRP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(F)c1 ZINC000639178964 385290278 /nfs/dbraw/zinc/29/02/78/385290278.db2.gz PXOQHXCJIBHWLW-CJNGLKHVSA-N 2 0 264.388 2.906 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000282386828 385299978 /nfs/dbraw/zinc/29/99/78/385299978.db2.gz QXGRRQSLZZRQAB-XJKSGUPXSA-N 2 0 271.408 2.783 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000271072877 385329175 /nfs/dbraw/zinc/32/91/75/385329175.db2.gz FTMZBZZDOWMQHT-HOCLYGCPSA-N 2 0 288.435 2.590 20 0 CFADRP CSC1(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000289033886 197218322 /nfs/dbraw/zinc/21/83/22/197218322.db2.gz ACIGAYOODISCQG-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1N(C)C ZINC000271202443 385375138 /nfs/dbraw/zinc/37/51/38/385375138.db2.gz BNVKWMMIGWIAJN-CQSZACIVSA-N 2 0 263.429 2.745 20 0 CFADRP CC(C)(O)C[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2)CC1 ZINC000639246823 385376571 /nfs/dbraw/zinc/37/65/71/385376571.db2.gz LWXQEQSIDLQSDR-UHFFFAOYSA-N 2 0 299.418 2.882 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000639257149 385386751 /nfs/dbraw/zinc/38/67/51/385386751.db2.gz JOYXFKPMINJWMZ-CYBMUJFWSA-N 2 0 273.380 2.649 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000639257161 385387070 /nfs/dbraw/zinc/38/70/70/385387070.db2.gz JRDWMPXSORMNOD-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639204370 385324929 /nfs/dbraw/zinc/32/49/29/385324929.db2.gz SIEIJFBHAVADCJ-PKOBYXMFSA-N 2 0 299.462 2.541 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@H]1CC1(C)C ZINC000639272087 385401548 /nfs/dbraw/zinc/40/15/48/385401548.db2.gz PWGPGIOTTAOMGB-HUUCEWRRSA-N 2 0 282.472 2.636 20 0 CFADRP c1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000272016909 385426892 /nfs/dbraw/zinc/42/68/92/385426892.db2.gz RHBRLGWNOCMAGE-HZPDHXFCSA-N 2 0 256.393 2.892 20 0 CFADRP C([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639303309 385429998 /nfs/dbraw/zinc/42/99/98/385429998.db2.gz ORNYYTXFBHEEAC-BJWYYQGGSA-N 2 0 292.467 2.513 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCN1C(C)(C)C)OC ZINC000639303488 385430025 /nfs/dbraw/zinc/43/00/25/385430025.db2.gz RDLYKAYZTLOUHE-MJBXVCDLSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C1(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)CC1 ZINC000639303987 385431219 /nfs/dbraw/zinc/43/12/19/385431219.db2.gz XFLQVPYZDVKZNP-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000283111384 385437364 /nfs/dbraw/zinc/43/73/64/385437364.db2.gz MOXDUTZJPBDCDH-IRXDYDNUSA-N 2 0 276.424 2.790 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@H]1CCN1C1CCCCC1)OC ZINC000639345620 385469857 /nfs/dbraw/zinc/46/98/57/385469857.db2.gz NIUHRDXIBGHXHP-CVEARBPZSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@@H]1CCN1C1CCCCC1)OC ZINC000639345621 385470011 /nfs/dbraw/zinc/47/00/11/385470011.db2.gz NIUHRDXIBGHXHP-HOTGVXAUSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335544 385461297 /nfs/dbraw/zinc/46/12/97/385461297.db2.gz TZBWKNOHTPDOIL-YOEHRIQHSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CC1(F)F ZINC000639335053 385461522 /nfs/dbraw/zinc/46/15/22/385461522.db2.gz LYLDFOJSIMXYCK-SMDDNHRTSA-N 2 0 272.383 2.742 20 0 CFADRP CO[C@](C)(C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000639375027 385492070 /nfs/dbraw/zinc/49/20/70/385492070.db2.gz PFNMWVDBIVEWJF-QGZVFWFLSA-N 2 0 280.456 2.752 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CC2(COC)CCC2)CC1 ZINC000639378919 385495542 /nfs/dbraw/zinc/49/55/42/385495542.db2.gz UGIKGFSIFIDAQR-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[C@@H](C[NH+]1CCC(CC)([NH+](C)C)CC1)OC ZINC000639378225 385495584 /nfs/dbraw/zinc/49/55/84/385495584.db2.gz NKENRRQKUGQNIQ-AWEZNQCLSA-N 2 0 256.434 2.608 20 0 CFADRP Cc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)s1 ZINC000639395491 385513719 /nfs/dbraw/zinc/51/37/19/385513719.db2.gz AMZJWUKCLBMMFW-CQSZACIVSA-N 2 0 250.411 2.583 20 0 CFADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000639450831 385537313 /nfs/dbraw/zinc/53/73/13/385537313.db2.gz BPNOXAXQYCASRA-WMZOPIPTSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639453316 385538815 /nfs/dbraw/zinc/53/88/15/385538815.db2.gz XJOYUXHXVYKORE-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000284246765 385547875 /nfs/dbraw/zinc/54/78/75/385547875.db2.gz VJEVTAWEGBABPP-YOEHRIQHSA-N 2 0 274.408 2.844 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272374346 385522185 /nfs/dbraw/zinc/52/21/85/385522185.db2.gz VGBCMZQRLSAEDP-USXIJHARSA-N 2 0 290.476 2.992 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286205128 385571736 /nfs/dbraw/zinc/57/17/36/385571736.db2.gz RVUDAGXMZUDUHN-WMZOPIPTSA-N 2 0 289.467 2.672 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H](O)c2ccccc2)C1 ZINC000286311739 385587666 /nfs/dbraw/zinc/58/76/66/385587666.db2.gz HEEVAPUCSFWDPS-SJLPKXTDSA-N 2 0 290.451 2.774 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272812579 385621227 /nfs/dbraw/zinc/62/12/27/385621227.db2.gz NRKIWXKSACGPRA-KBAYOESNSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288715472 197150352 /nfs/dbraw/zinc/15/03/52/197150352.db2.gz ZNOMVYFJYMVOBB-GOEBONIOSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(C)n1 ZINC000639672481 385653679 /nfs/dbraw/zinc/65/36/79/385653679.db2.gz XREQGOICEMTASP-ZBFHGGJFSA-N 2 0 260.381 2.618 20 0 CFADRP CCc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639683120 385659438 /nfs/dbraw/zinc/65/94/38/385659438.db2.gz HKMPEWYPVINHLF-UHFFFAOYSA-N 2 0 296.418 2.751 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682628 385659518 /nfs/dbraw/zinc/65/95/18/385659518.db2.gz FXXCKVWMDIBPML-OAHLLOKOSA-N 2 0 282.391 2.750 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682949 385659679 /nfs/dbraw/zinc/65/96/79/385659679.db2.gz NFTXXRKVTAXSIX-HNNXBMFYSA-N 2 0 282.391 2.750 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000639745319 385689159 /nfs/dbraw/zinc/68/91/59/385689159.db2.gz FLESFUBTBJLWNO-BRWVUGGUSA-N 2 0 295.515 2.626 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000639745318 385690923 /nfs/dbraw/zinc/69/09/23/385690923.db2.gz FLESFUBTBJLWNO-BBWFWOEESA-N 2 0 295.515 2.626 20 0 CFADRP Cc1cnc(CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC000639754717 385696221 /nfs/dbraw/zinc/69/62/21/385696221.db2.gz DVQMDPKNVBEJKS-UHFFFAOYSA-N 2 0 287.451 2.659 20 0 CFADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC000639757388 385698342 /nfs/dbraw/zinc/69/83/42/385698342.db2.gz KQPIRDYYEYELQS-UHFFFAOYSA-N 2 0 292.398 2.752 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2cccnc2)C1 ZINC000639697053 385670917 /nfs/dbraw/zinc/67/09/17/385670917.db2.gz VFPXPWVFEBTYJH-IRXDYDNUSA-N 2 0 273.424 2.745 20 0 CFADRP Cc1cccc2c(NC[C@@H]3C[N@@H+](C)CCN3C)c(C)c[nH+]c12 ZINC000274191398 385737356 /nfs/dbraw/zinc/73/73/56/385737356.db2.gz QTZUZSHLKQQRFC-OAHLLOKOSA-N 2 0 298.434 2.509 20 0 CFADRP CCn1c2cc(F)ccc2nc1NCc1cncn1C ZINC000274245387 385746392 /nfs/dbraw/zinc/74/63/92/385746392.db2.gz HBEAUCWKBCWWLN-UHFFFAOYSA-N 2 0 273.315 2.541 20 0 CFADRP CC[C@@](C)(NC[C@@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC000639928783 385778176 /nfs/dbraw/zinc/77/81/76/385778176.db2.gz OHVCQWDGMRPCCM-IAGOWNOFSA-N 2 0 296.430 2.742 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(CCn2ccnc2C)CC1 ZINC000639985560 385805362 /nfs/dbraw/zinc/80/53/62/385805362.db2.gz ACCYTKFACUVNGZ-UHFFFAOYSA-N 3 0 290.455 2.532 20 0 CFADRP CCOCCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639986600 385807120 /nfs/dbraw/zinc/80/71/20/385807120.db2.gz PEINFTWDOCKKPS-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP CC[C@@H](C[NH+]1CCC(CC)([NH+]2CCCC2)CC1)OC ZINC000639986284 385807192 /nfs/dbraw/zinc/80/71/92/385807192.db2.gz LCJWDOCMWBKZQR-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000639987778 385808054 /nfs/dbraw/zinc/80/80/54/385808054.db2.gz QFGZCSOCMQVKNL-HZPDHXFCSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274778732 385869869 /nfs/dbraw/zinc/86/98/69/385869869.db2.gz ORBOOOQRZVXQKC-HLLBOEOZSA-N 2 0 298.434 2.971 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccn(-c2ccccc2)n1 ZINC000275318436 385975246 /nfs/dbraw/zinc/97/52/46/385975246.db2.gz XHOSGSAWFNUQPR-YJBOKZPZSA-N 2 0 298.434 2.644 20 0 CFADRP Cc1cc(N2CCC([NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000276519533 385989329 /nfs/dbraw/zinc/98/93/29/385989329.db2.gz GGVXOXIISDWRHA-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP Fc1cncc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000275122382 385940072 /nfs/dbraw/zinc/94/00/72/385940072.db2.gz JOZFVQCRBMNIMO-AWEZNQCLSA-N 2 0 277.387 2.529 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCCSCC1 ZINC000275305540 385973648 /nfs/dbraw/zinc/97/36/48/385973648.db2.gz QNCMIMPMYYFQOU-UHFFFAOYSA-N 2 0 250.411 2.762 20 0 CFADRP Cc1ccc(CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277021609 386109931 /nfs/dbraw/zinc/10/99/31/386109931.db2.gz ALMWKZDIULOMBA-KRWDZBQOSA-N 2 0 260.425 2.954 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)CC1 ZINC000277083148 386125443 /nfs/dbraw/zinc/12/54/43/386125443.db2.gz FLEDYRVHQGQEOB-QGZVFWFLSA-N 2 0 288.435 2.580 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(F)c(Br)c1 ZINC000573445655 322656556 /nfs/dbraw/zinc/65/65/56/322656556.db2.gz PCRQMKWYKWQUOX-DTWKUNHWSA-N 2 0 289.192 2.804 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423206057 533175908 /nfs/dbraw/zinc/17/59/08/533175908.db2.gz FRURCIQJEMDTSR-ILXRZTDVSA-N 2 0 276.424 2.776 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637993 296419622 /nfs/dbraw/zinc/41/96/22/296419622.db2.gz WJINSEMMBMUTSI-OAGGEKHMSA-N 2 0 293.499 2.569 20 0 CFADRP COc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000423239227 533195183 /nfs/dbraw/zinc/19/51/83/533195183.db2.gz BCFCLTGVVDHKTH-RHSMWYFYSA-N 2 0 276.424 2.982 20 0 CFADRP COCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000414822882 533205058 /nfs/dbraw/zinc/20/50/58/533205058.db2.gz CVHRSEINTONSNH-XYPWUTKMSA-N 2 0 280.456 2.846 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000268964055 285290994 /nfs/dbraw/zinc/29/09/94/285290994.db2.gz YDZZDFGSCHZLBF-SJLPKXTDSA-N 2 0 288.435 2.500 20 0 CFADRP Cc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC000274746561 291938920 /nfs/dbraw/zinc/93/89/20/291938920.db2.gz AWLPQMIJHXYLND-OAHLLOKOSA-N 2 0 259.397 2.558 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000130727383 413031359 /nfs/dbraw/zinc/03/13/59/413031359.db2.gz XMROPZPXNHZXCY-ZBFHGGJFSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000423221681 533221707 /nfs/dbraw/zinc/22/17/07/533221707.db2.gz XQJLHSMKTWGTMI-GRYCIOLGSA-N 2 0 297.830 2.782 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC000682029392 542507307 /nfs/dbraw/zinc/50/73/07/542507307.db2.gz VZOQFONCIPXSQE-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)CCC[NH2+]1 ZINC000423413904 285324959 /nfs/dbraw/zinc/32/49/59/285324959.db2.gz LMGUGOYNOLVJJP-JSGCOSHPSA-N 2 0 290.398 2.559 20 0 CFADRP COC[C@@]1(C[NH2+]C(CC(C)C)CC(C)C)CCC[NH2+]1 ZINC000423432866 285325183 /nfs/dbraw/zinc/32/51/83/285325183.db2.gz RDIBASNZTAHAIB-INIZCTEOSA-N 2 0 270.461 2.805 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)C1CC[NH+](C)CC1 ZINC000682376548 542543017 /nfs/dbraw/zinc/54/30/17/542543017.db2.gz DHILIKPBNRGCMJ-WBMJQRKESA-N 2 0 292.398 2.969 20 0 CFADRP COC[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000090775278 285352690 /nfs/dbraw/zinc/35/26/90/285352690.db2.gz GUUPRJWXYYPWJD-FHERZECASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000094009544 184749666 /nfs/dbraw/zinc/74/96/66/184749666.db2.gz VIRIPPSLCXFBFY-LLVKDONJSA-N 2 0 252.789 2.990 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000360147982 285371851 /nfs/dbraw/zinc/37/18/51/285371851.db2.gz IQFBWTWHIPVOJY-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)CC2 ZINC000414912696 533266896 /nfs/dbraw/zinc/26/68/96/533266896.db2.gz VQWQESFJZKGLBB-INIZCTEOSA-N 2 0 288.435 2.532 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423346783 533365336 /nfs/dbraw/zinc/36/53/36/533365336.db2.gz PPRXDUYHEARNFT-SNVBAGLBSA-N 2 0 252.308 2.535 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1nc2c(s1)CCCC2 ZINC000423328890 533366245 /nfs/dbraw/zinc/36/62/45/533366245.db2.gz AYQICVOGPVMCDK-LLVKDONJSA-N 2 0 277.437 2.592 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1C ZINC000414097587 533367503 /nfs/dbraw/zinc/36/75/03/533367503.db2.gz PLVYAPYNBXCDHZ-CKEIUWERSA-N 2 0 273.424 2.932 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422776381 533384059 /nfs/dbraw/zinc/38/40/59/533384059.db2.gz AKAXCWKFRGRUKU-JKSUJKDBSA-N 2 0 276.424 2.653 20 0 CFADRP COc1ccc2cc(C[NH2+]CC[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000414830225 533330926 /nfs/dbraw/zinc/33/09/26/533330926.db2.gz LUVSEVOYSSNMCD-AWEZNQCLSA-N 2 0 284.403 2.938 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423262320 533402057 /nfs/dbraw/zinc/40/20/57/533402057.db2.gz VBMOHFZNVNYKNB-CHWSQXEVSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423240264 533402095 /nfs/dbraw/zinc/40/20/95/533402095.db2.gz BZQYBKJYWBEWLE-NXEZZACHSA-N 2 0 272.314 2.754 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423254218 533402397 /nfs/dbraw/zinc/40/23/97/533402397.db2.gz XQERBPOVBXTJTD-GHMZBOCLSA-N 2 0 254.324 2.615 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423265201 533402987 /nfs/dbraw/zinc/40/29/87/533402987.db2.gz ZNWVPNUZWWNRDJ-ZIAGYGMSSA-N 2 0 274.408 2.757 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423254699 533404300 /nfs/dbraw/zinc/40/43/00/533404300.db2.gz ZERRKTLBALIGSM-HZPDHXFCSA-N 2 0 298.434 2.582 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422791848 533417481 /nfs/dbraw/zinc/41/74/81/533417481.db2.gz VIJNRKROQIOSPX-XQQFMLRXSA-N 2 0 250.386 2.780 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000414858371 533456980 /nfs/dbraw/zinc/45/69/80/533456980.db2.gz RQPOWDTWOZNLAQ-DGCLKSJQSA-N 2 0 284.350 2.766 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H](C)CCCC[NH3+])CC2)c1 ZINC000423130793 533436466 /nfs/dbraw/zinc/43/64/66/533436466.db2.gz ZAXPDALFMOJRSQ-AWEZNQCLSA-N 2 0 276.424 2.834 20 0 CFADRP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC000414852397 533442049 /nfs/dbraw/zinc/44/20/49/533442049.db2.gz JYLMBWRFPBMYDG-OCCSQVGLSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414165892 533464792 /nfs/dbraw/zinc/46/47/92/533464792.db2.gz QILAVVXCHTVNMY-IIAWOOMASA-N 2 0 291.439 2.546 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422730116 533474460 /nfs/dbraw/zinc/47/44/60/533474460.db2.gz DGWCXXOWISFWGY-WMLDXEAASA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000422885313 533494958 /nfs/dbraw/zinc/49/49/58/533494958.db2.gz UDXPLVSYKHSHDS-ZJUUUORDSA-N 2 0 270.323 2.547 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414917712 533512763 /nfs/dbraw/zinc/51/27/63/533512763.db2.gz QXUPKZPSUFBUBV-GOEBONIOSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422911357 533513446 /nfs/dbraw/zinc/51/34/46/533513446.db2.gz KMTAILVLEASVEF-XYPHTWIQSA-N 2 0 258.409 2.738 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422796324 533574058 /nfs/dbraw/zinc/57/40/58/533574058.db2.gz YFNMFRWEVOZDDA-MNOVXSKESA-N 2 0 254.349 2.612 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414897906 533580384 /nfs/dbraw/zinc/58/03/84/533580384.db2.gz SHUJLQRFOFHCJU-ZETCQYMHSA-N 2 0 252.305 2.594 20 0 CFADRP C[C@H](C1C[NH2+]C1)[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423151133 533592301 /nfs/dbraw/zinc/59/23/01/533592301.db2.gz CRMMMAMUJRZOBL-GFCCVEGCSA-N 2 0 294.389 2.827 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000422805037 533539796 /nfs/dbraw/zinc/53/97/96/533539796.db2.gz LMQMRWSUSQQDBG-WMZOPIPTSA-N 2 0 289.467 2.931 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423218742 533540218 /nfs/dbraw/zinc/54/02/18/533540218.db2.gz VXWQMFYDNFJYEH-MAUKXSAKSA-N 2 0 288.435 2.606 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000423038309 533541499 /nfs/dbraw/zinc/54/14/99/533541499.db2.gz YHPHQFWKRWPZQF-YOEHRIQHSA-N 2 0 286.423 2.617 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)n1 ZINC000414803974 533547885 /nfs/dbraw/zinc/54/78/85/533547885.db2.gz DLKQXFFJEXSIKO-KBPBESRZSA-N 2 0 299.418 2.831 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423153776 533554019 /nfs/dbraw/zinc/55/40/19/533554019.db2.gz GYMKPQSMXVAZJA-JTQLQIEISA-N 2 0 274.767 2.575 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000422950141 533554064 /nfs/dbraw/zinc/55/40/64/533554064.db2.gz VLFYPEIVWOJTSW-NSHDSACASA-N 2 0 290.329 2.801 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1N1CCCCC1 ZINC000415068741 533554662 /nfs/dbraw/zinc/55/46/62/533554662.db2.gz WLBMOPKADIZSDX-HNNXBMFYSA-N 2 0 275.440 2.894 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256568 533568116 /nfs/dbraw/zinc/56/81/16/533568116.db2.gz CASONPYUURMIRP-DOTOQJQBSA-N 2 0 275.440 2.772 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000422868830 533614216 /nfs/dbraw/zinc/61/42/16/533614216.db2.gz WFYHNWXVZUIUFC-UONOGXRCSA-N 2 0 292.423 2.805 20 0 CFADRP C(C1CC[NH2+]CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682704072 542582597 /nfs/dbraw/zinc/58/25/97/542582597.db2.gz OPANPEBYYYKNCX-UHFFFAOYSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000414879560 533654804 /nfs/dbraw/zinc/65/48/04/533654804.db2.gz PVUTXGPTZJZNOV-LBPRGKRZSA-N 2 0 250.361 2.618 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414854889 533663298 /nfs/dbraw/zinc/66/32/98/533663298.db2.gz VHTIHAQEVQTJRV-LBPRGKRZSA-N 2 0 282.815 2.828 20 0 CFADRP COc1cc(C)ccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422872869 533665694 /nfs/dbraw/zinc/66/56/94/533665694.db2.gz IXGAFMUPCKNMCO-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP COc1cccc(CCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342105242 130264450 /nfs/dbraw/zinc/26/44/50/130264450.db2.gz ODKFEHSJPXDWAN-SZMVWBNQSA-N 2 0 288.435 2.687 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000342122473 130279102 /nfs/dbraw/zinc/27/91/02/130279102.db2.gz CBZJWGFLGKOXFR-SGIREYDYSA-N 2 0 294.826 2.908 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000355361617 130290730 /nfs/dbraw/zinc/29/07/30/130290730.db2.gz DYQIPWMENSSTFZ-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CCc1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342090849 130305164 /nfs/dbraw/zinc/30/51/64/130305164.db2.gz CADNUUGTGSALJY-JQHSSLGASA-N 2 0 288.435 2.687 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000356190742 130384514 /nfs/dbraw/zinc/38/45/14/130384514.db2.gz RKFKBCRATOWKKR-OLZOCXBDSA-N 2 0 256.459 2.735 20 0 CFADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCCC[NH+](C)C)s1 ZINC000356684533 130396799 /nfs/dbraw/zinc/39/67/99/130396799.db2.gz VOXFHDRJAXWDTA-GFCCVEGCSA-N 2 0 299.484 2.633 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000227329599 130840432 /nfs/dbraw/zinc/84/04/32/130840432.db2.gz DAUYAGYHJCAJGK-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246228210 131092124 /nfs/dbraw/zinc/09/21/24/131092124.db2.gz MFQIGTVQTFORKW-CKEIUWERSA-N 2 0 278.415 2.995 20 0 CFADRP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250171258 131124675 /nfs/dbraw/zinc/12/46/75/131124675.db2.gz NAABIKXJEINIDK-IRXDYDNUSA-N 2 0 274.408 2.549 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@H](O)c3ccccc3)CC[C@H]21 ZINC000250596009 131126437 /nfs/dbraw/zinc/12/64/37/131126437.db2.gz IRJSMVSQNOCZON-KURKYZTESA-N 2 0 288.435 2.526 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000251209441 131128461 /nfs/dbraw/zinc/12/84/61/131128461.db2.gz YZSAFHZQPPKQCL-SJORKVTESA-N 2 0 258.409 2.754 20 0 CFADRP C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262161661 131195719 /nfs/dbraw/zinc/19/57/19/131195719.db2.gz GXLGNVLJQUPFSV-YJBOKZPZSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262396015 131218106 /nfs/dbraw/zinc/21/81/06/131218106.db2.gz OWISVFQKUSUXRT-AWEZNQCLSA-N 2 0 289.423 2.596 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423239827 285500012 /nfs/dbraw/zinc/50/00/12/285500012.db2.gz BSNPRTUNFSVNRP-AWEZNQCLSA-N 2 0 258.409 2.523 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000401177989 285509208 /nfs/dbraw/zinc/50/92/08/285509208.db2.gz ZKFZEGDVRJFWGM-XWTMOSNGSA-N 2 0 270.420 2.522 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1C ZINC000268774180 132063973 /nfs/dbraw/zinc/06/39/73/132063973.db2.gz QYTGIVWETDPQMH-CRAIPNDOSA-N 2 0 298.434 2.504 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268801961 132068259 /nfs/dbraw/zinc/06/82/59/132068259.db2.gz KRWJUSKASRYLEK-SOLBZPMBSA-N 2 0 290.451 2.769 20 0 CFADRP CC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000268835507 132073545 /nfs/dbraw/zinc/07/35/45/132073545.db2.gz XZJSUXQHORYRKW-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)COC1 ZINC000268885982 132082639 /nfs/dbraw/zinc/08/26/39/132082639.db2.gz MUNJRFNYXZXGKV-NVXWUHKLSA-N 2 0 288.435 2.523 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000269012548 132100232 /nfs/dbraw/zinc/10/02/32/132100232.db2.gz NVXJPOJTHILAAT-OAHLLOKOSA-N 2 0 262.397 2.614 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000269023587 132100940 /nfs/dbraw/zinc/10/09/40/132100940.db2.gz PZKPVMRORJMOBI-CHWSQXEVSA-N 2 0 262.397 2.708 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000269030362 132101258 /nfs/dbraw/zinc/10/12/58/132101258.db2.gz RMTPUPARZDMKRD-WMLDXEAASA-N 2 0 296.430 2.703 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000269053338 132104537 /nfs/dbraw/zinc/10/45/37/132104537.db2.gz WIGLAGKOBJOQOV-LSDHHAIUSA-N 2 0 286.423 2.863 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000269069384 132107546 /nfs/dbraw/zinc/10/75/46/132107546.db2.gz WNDIEUWGTURKLW-SNVBAGLBSA-N 2 0 288.844 2.509 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000179597346 393469289 /nfs/dbraw/zinc/46/92/89/393469289.db2.gz OUKMAQRSQYKCIZ-RHSMWYFYSA-N 2 0 272.436 2.864 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040226332 393540645 /nfs/dbraw/zinc/54/06/45/393540645.db2.gz SFHUTLIEGVLDNQ-CQSZACIVSA-N 2 0 297.240 2.978 20 0 CFADRP CC(C)(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000031994739 393511600 /nfs/dbraw/zinc/51/16/00/393511600.db2.gz RQJDLHSWUPYXCB-KRWDZBQOSA-N 2 0 258.409 2.650 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1([NH+](C)C)CCCCC1 ZINC000036908009 393525675 /nfs/dbraw/zinc/52/56/75/393525675.db2.gz WBYIIEYMNTXENR-BZUAXINKSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000376836073 393525973 /nfs/dbraw/zinc/52/59/73/393525973.db2.gz XQPPFEKZRIIOEO-MJBXVCDLSA-N 2 0 256.459 2.590 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379185912 393551777 /nfs/dbraw/zinc/55/17/77/393551777.db2.gz HMFJQMUCBSBBRM-RCCFBDPRSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000186789069 393547593 /nfs/dbraw/zinc/54/75/93/393547593.db2.gz LDPHHHRJJALKSA-DZJNRPSUSA-N 2 0 294.483 2.923 20 0 CFADRP CO[C@H](C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000380906311 393559113 /nfs/dbraw/zinc/55/91/13/393559113.db2.gz OEMFIRBFRUHDHO-HZPDHXFCSA-N 2 0 264.413 2.679 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1[NH3+] ZINC000382965298 393572455 /nfs/dbraw/zinc/57/24/55/393572455.db2.gz ZAHUOQUHJFXUFV-GOEBONIOSA-N 2 0 269.392 2.794 20 0 CFADRP CC[NH+](CC)CCC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000191822878 393608541 /nfs/dbraw/zinc/60/85/41/393608541.db2.gz BGFDLUOIWPHMMB-UHFFFAOYSA-N 2 0 292.467 2.991 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401861296 393606106 /nfs/dbraw/zinc/60/61/06/393606106.db2.gz IFOAAXFBEPVRSZ-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP C1C[C@H]2C[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[N@@H+]2C1 ZINC000334226080 393581509 /nfs/dbraw/zinc/58/15/09/393581509.db2.gz MTNAXEIHQQBQCE-IRXDYDNUSA-N 2 0 292.467 2.942 20 0 CFADRP CC(C)CC[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000190772304 393583932 /nfs/dbraw/zinc/58/39/32/393583932.db2.gz NIVCCTHFKGSQDN-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000386369753 393586896 /nfs/dbraw/zinc/58/68/96/393586896.db2.gz PCADOJAXZBUKJC-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCCC2)c2ccccc21 ZINC000386324689 393587172 /nfs/dbraw/zinc/58/71/72/393587172.db2.gz YXKCHVFDGWNKIE-ZACQAIPSSA-N 2 0 274.408 2.662 20 0 CFADRP CO[C@H](C)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000191147070 393588316 /nfs/dbraw/zinc/58/83/16/393588316.db2.gz CWQGKWMZKAUGHA-OAHLLOKOSA-N 2 0 278.440 2.769 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccc3c[nH]nc3c1)CC[NH2+]CC2 ZINC000335543416 393677275 /nfs/dbraw/zinc/67/72/75/393677275.db2.gz KQZMEAVZLIFTBO-ZDUSSCGKSA-N 2 0 284.407 2.527 20 0 CFADRP CCC[N@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411170727 393679080 /nfs/dbraw/zinc/67/90/80/393679080.db2.gz XTSKOZOZZBMCSM-UHFFFAOYSA-N 2 0 290.451 2.877 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000051630836 393615987 /nfs/dbraw/zinc/61/59/87/393615987.db2.gz UIDCVJWVNQKNDM-DTDBQYNISA-N 2 0 272.436 2.862 20 0 CFADRP CCOC(=O)CCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860298 393681074 /nfs/dbraw/zinc/68/10/74/393681074.db2.gz GKBXDWFWOOWPJF-OAHLLOKOSA-N 2 0 284.444 2.526 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccc(F)c(F)c1 ZINC000404788155 393621566 /nfs/dbraw/zinc/62/15/66/393621566.db2.gz ZFUIQONKDVMXOG-HJIKLVIJSA-N 2 0 254.324 2.741 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024057 393635819 /nfs/dbraw/zinc/63/58/19/393635819.db2.gz UYZFVOARBPVJCZ-YPMHNXCESA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2(O)CCC2)C1 ZINC000411116316 393666950 /nfs/dbraw/zinc/66/69/50/393666950.db2.gz RSTSHSGNQPYFIM-IRXDYDNUSA-N 2 0 294.483 2.878 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2(O)CCC2)C1 ZINC000411116315 393667614 /nfs/dbraw/zinc/66/76/14/393667614.db2.gz RSTSHSGNQPYFIM-IAGOWNOFSA-N 2 0 294.483 2.878 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCCC1 ZINC000193983975 393669144 /nfs/dbraw/zinc/66/91/44/393669144.db2.gz YPUJTMMUKYZWSL-YLFCFFPRSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411123799 393670306 /nfs/dbraw/zinc/67/03/06/393670306.db2.gz FJSQBPWVXBRFKT-INIZCTEOSA-N 2 0 288.435 2.893 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000085401324 393752183 /nfs/dbraw/zinc/75/21/83/393752183.db2.gz GYWRUKHPVUJDFS-ARFHVFGLSA-N 2 0 282.472 2.758 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000206911091 393752362 /nfs/dbraw/zinc/75/23/62/393752362.db2.gz JBLHKBXWDZLUJM-SWKXRBFHSA-N 2 0 272.436 2.899 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000337325558 393757510 /nfs/dbraw/zinc/75/75/10/393757510.db2.gz BXDZUHKHFKEXHM-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@H+](CCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411305289 393697863 /nfs/dbraw/zinc/69/78/63/393697863.db2.gz XHKIABDPSHJCAR-UHFFFAOYSA-N 2 0 290.451 2.877 20 0 CFADRP C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411432171 393712017 /nfs/dbraw/zinc/71/20/17/393712017.db2.gz YLQLLCLHKXDENB-YJBOKZPZSA-N 2 0 288.435 2.628 20 0 CFADRP FC1(F)CC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000336184981 393721933 /nfs/dbraw/zinc/72/19/33/393721933.db2.gz KMCKVASSPQKDHD-DZGCQCFKSA-N 2 0 284.394 2.980 20 0 CFADRP CC1(C)CC([NH2+][C@H]2CCOC3(CCC3)C2)CC(C)(C)[NH2+]1 ZINC000336205141 393723656 /nfs/dbraw/zinc/72/36/56/393723656.db2.gz MKVWODIZKKSQCZ-ZDUSSCGKSA-N 2 0 280.456 2.987 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424334487 393834114 /nfs/dbraw/zinc/83/41/14/393834114.db2.gz VQQJSGAYYIWRIL-LEUOFYLZSA-N 2 0 294.483 2.902 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000222927866 393764141 /nfs/dbraw/zinc/76/41/41/393764141.db2.gz HPBKOXZZVHLBTN-XQQFMLRXSA-N 2 0 278.396 2.624 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000424336433 393835246 /nfs/dbraw/zinc/83/52/46/393835246.db2.gz QQJUAKZOXXPTMH-IAGOWNOFSA-N 2 0 276.424 2.932 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@@H]1OC ZINC000090461989 393777959 /nfs/dbraw/zinc/77/79/59/393777959.db2.gz XJHVIVBJWRFKPP-RBZJEDDUSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000090720664 393781397 /nfs/dbraw/zinc/78/13/97/393781397.db2.gz GGXPJCAMFCUKKA-UKRRQHHQSA-N 2 0 269.392 2.807 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C)C1 ZINC000424341830 393836436 /nfs/dbraw/zinc/83/64/36/393836436.db2.gz DUYKFUTWRBOIBO-KSWRQPAISA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414677828 393802456 /nfs/dbraw/zinc/80/24/56/393802456.db2.gz PMOGEBKEKPREHL-CPUCHLNUSA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414684248 393802568 /nfs/dbraw/zinc/80/25/68/393802568.db2.gz VCCMFNPUKLCIDA-CPUCHLNUSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000414714384 393803550 /nfs/dbraw/zinc/80/35/50/393803550.db2.gz VMYICZZIOYLIPU-YFHUEUNASA-N 2 0 288.435 2.837 20 0 CFADRP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414710194 393803567 /nfs/dbraw/zinc/80/35/67/393803567.db2.gz PSBIFKYHXPDMQA-ADAWSYLGSA-N 2 0 288.435 2.699 20 0 CFADRP COC(=O)CC1CC([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000424250763 393804737 /nfs/dbraw/zinc/80/47/37/393804737.db2.gz BWGJHOJWCXGSBN-UHFFFAOYSA-N 2 0 296.455 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2F)[C@@H](C)C1 ZINC000245445917 393805422 /nfs/dbraw/zinc/80/54/22/393805422.db2.gz ZIIYHEXERVAPLS-GOEBONIOSA-N 2 0 294.414 2.867 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414777250 393805455 /nfs/dbraw/zinc/80/54/55/393805455.db2.gz HVOYVKMWEHUEIA-GOEBONIOSA-N 2 0 276.399 2.956 20 0 CFADRP Fc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414782712 393805963 /nfs/dbraw/zinc/80/59/63/393805963.db2.gz ORRZPBPRTJECOM-VXGBXAGGSA-N 2 0 298.352 2.925 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCCC1(C)C)N1CC[NH+](C)CC1 ZINC000094279076 393808057 /nfs/dbraw/zinc/80/80/57/393808057.db2.gz CJDKAQFQHVCDFX-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414949491 393808444 /nfs/dbraw/zinc/80/84/44/393808444.db2.gz NNADFJNPCKJBNJ-VCTAVGKDSA-N 2 0 264.800 2.537 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000414907512 393808456 /nfs/dbraw/zinc/80/84/56/393808456.db2.gz ANDVTFQIMJUZBF-BGTYHANMSA-N 2 0 287.451 2.681 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414942794 393808619 /nfs/dbraw/zinc/80/86/19/393808619.db2.gz MYVAMOBEWZYDTO-DJIMGWMZSA-N 2 0 260.425 2.904 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415035875 393810201 /nfs/dbraw/zinc/81/02/01/393810201.db2.gz JFWUGMAGICYZNO-OKZBNKHCSA-N 2 0 288.435 2.599 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415011948 393810448 /nfs/dbraw/zinc/81/04/48/393810448.db2.gz RPEIFMCHYOQSRW-DMRZNYOFSA-N 2 0 250.430 2.933 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000415079286 393811213 /nfs/dbraw/zinc/81/12/13/393811213.db2.gz WSBLOTVMXCRTNL-GRYCIOLGSA-N 2 0 264.335 2.839 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)CCO1 ZINC000415053880 393811252 /nfs/dbraw/zinc/81/12/52/393811252.db2.gz PFFREJGIXZSBQJ-TWMKSMIVSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1CCC[C@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415053705 393811286 /nfs/dbraw/zinc/81/12/86/393811286.db2.gz MRJVXXUJEBFCEI-VYMRPNJYSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](C)C1 ZINC000415061181 393811328 /nfs/dbraw/zinc/81/13/28/393811328.db2.gz YCYGPQUMEPBAIC-YFVGIKETSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067985 393815089 /nfs/dbraw/zinc/81/50/89/393815089.db2.gz IUQIZWKQCMLVQA-KBMXLJTQSA-N 2 0 274.408 2.540 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424290487 393815267 /nfs/dbraw/zinc/81/52/67/393815267.db2.gz AZYWGWSVVRFSCW-USTZCAOPSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000339072207 393815412 /nfs/dbraw/zinc/81/54/12/393815412.db2.gz UIPXUACHGGNGFQ-NXHRZFHOSA-N 2 0 299.462 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424291945 393815535 /nfs/dbraw/zinc/81/55/35/393815535.db2.gz MNQQOVKTENAQNX-MLEONAHRSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@@H]1C[C@@H](Nc2cc[nH+]c3c(O)cccc23)CC[N@@H+]1C ZINC000684575389 542830256 /nfs/dbraw/zinc/83/02/56/542830256.db2.gz HITOLKICVGZHNX-NEPJUHHUSA-N 2 0 271.364 2.835 20 0 CFADRP Cc1cccc(OCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424294443 393816468 /nfs/dbraw/zinc/81/64/68/393816468.db2.gz QJZDLILXJJWUMZ-INIZCTEOSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1c(F)cccc1Cl ZINC000424298523 393816492 /nfs/dbraw/zinc/81/64/92/393816492.db2.gz DJWUKYOJVKCDPJ-ZIAGYGMSSA-N 2 0 270.779 2.881 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCCOc1ccccc1)CC[NH2+]CC2 ZINC000424295051 393816597 /nfs/dbraw/zinc/81/65/97/393816597.db2.gz QOEAXYINWBATKW-INIZCTEOSA-N 2 0 288.435 2.920 20 0 CFADRP C[C@H](CCc1cccn1C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339073810 393816933 /nfs/dbraw/zinc/81/69/33/393816933.db2.gz FKKILVPAFBZFKM-HLLBOEOZSA-N 2 0 275.440 2.563 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424300811 393817308 /nfs/dbraw/zinc/81/73/08/393817308.db2.gz UYNDZVSADPBNQV-HOCLYGCPSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H](C)C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000339405748 393822568 /nfs/dbraw/zinc/82/25/68/393822568.db2.gz CLEVGNRCUOJOJV-JSGCOSHPSA-N 2 0 281.469 2.909 20 0 CFADRP Cc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000339496370 393826252 /nfs/dbraw/zinc/82/62/52/393826252.db2.gz BHWBWKRMGZORNK-UHFFFAOYSA-N 2 0 261.413 2.746 20 0 CFADRP COC(=O)CC1CC([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000424324054 393828695 /nfs/dbraw/zinc/82/86/95/393828695.db2.gz WQOWLFNSHCRTRQ-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)C1(C)C ZINC000245880266 393832711 /nfs/dbraw/zinc/83/27/11/393832711.db2.gz KTIIXMLWZWNRRF-APIJFGDWSA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@H](CO)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000342639071 393867579 /nfs/dbraw/zinc/86/75/79/393867579.db2.gz VVDBHWWUNRJPET-QZTJIDSGSA-N 2 0 290.451 2.744 20 0 CFADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000246561022 393874604 /nfs/dbraw/zinc/87/46/04/393874604.db2.gz DYGVMALDIZVERK-IXDOHACOSA-N 2 0 280.456 2.822 20 0 CFADRP CC(C)n1cncc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000425386965 393878145 /nfs/dbraw/zinc/87/81/45/393878145.db2.gz UNOQTRSXHWOPLX-MRXNPFEDSA-N 2 0 290.455 2.628 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246813289 393885288 /nfs/dbraw/zinc/88/52/88/393885288.db2.gz ATMPKEVTDHELAH-MTSZKFMLSA-N 2 0 282.472 2.900 20 0 CFADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246944557 393890412 /nfs/dbraw/zinc/89/04/12/393890412.db2.gz UHEKPTMVCVHNEK-UAGQMJEPSA-N 2 0 278.440 2.504 20 0 CFADRP C([C@H]1CCCCO1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246944577 393890456 /nfs/dbraw/zinc/89/04/56/393890456.db2.gz UHEKPTMVCVHNEK-USXIJHARSA-N 2 0 278.440 2.504 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000344179768 393896983 /nfs/dbraw/zinc/89/69/83/393896983.db2.gz LSUGUMLANZOOHM-KBAYOESNSA-N 2 0 293.499 2.571 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C2(C)C)C1 ZINC000245965450 393841238 /nfs/dbraw/zinc/84/12/38/393841238.db2.gz YXWUJUUPZXPHKC-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@H]1OC ZINC000245963190 393841462 /nfs/dbraw/zinc/84/14/62/393841462.db2.gz YOLXGEBLJXJVJM-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000424382127 393842987 /nfs/dbraw/zinc/84/29/87/393842987.db2.gz ZVWXLOFFHVPQPR-DZOHQFGASA-N 2 0 287.451 2.509 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000341306339 393852977 /nfs/dbraw/zinc/85/29/77/393852977.db2.gz RMQCMNCZUQTPAM-WBTNSWJXSA-N 2 0 282.472 2.779 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246359428 393862957 /nfs/dbraw/zinc/86/29/57/393862957.db2.gz IJUKMYJBHMOMSO-RVKKMQEKSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000249675718 393924368 /nfs/dbraw/zinc/92/43/68/393924368.db2.gz XAZXRMOFBWXXOM-MUIFIZLQSA-N 2 0 282.472 2.636 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346562562 393931163 /nfs/dbraw/zinc/93/11/63/393931163.db2.gz QDJCFXMPFXOLKV-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000346546968 393931304 /nfs/dbraw/zinc/93/13/04/393931304.db2.gz ADYGMDGSXCBCKP-PMPSAXMXSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000474468180 393943612 /nfs/dbraw/zinc/94/36/12/393943612.db2.gz DHYYUTPDQDRILQ-WMZOPIPTSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1c(C)nn(C)c1C ZINC000347902923 393946067 /nfs/dbraw/zinc/94/60/67/393946067.db2.gz LMGOKTOPUNMQRQ-LSDHHAIUSA-N 2 0 278.444 2.562 20 0 CFADRP CC(C)(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000259004211 393946451 /nfs/dbraw/zinc/94/64/51/393946451.db2.gz MSJVOZUKWBPUJP-CYBMUJFWSA-N 2 0 264.388 2.693 20 0 CFADRP Brc1ccccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000258990966 393946512 /nfs/dbraw/zinc/94/65/12/393946512.db2.gz LTOWIZWBZNVLNF-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP CC(C)[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348034228 393947019 /nfs/dbraw/zinc/94/70/19/393947019.db2.gz BRQCZXLNSDYAPB-NXHRZFHOSA-N 2 0 290.451 2.504 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348090071 393947196 /nfs/dbraw/zinc/94/71/96/393947196.db2.gz VDYWUHJUKCCUGJ-NWANDNLSSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000434766865 394017039 /nfs/dbraw/zinc/01/70/39/394017039.db2.gz UTNMGYOOBKCESU-GJZGRUSLSA-N 2 0 282.472 2.636 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccn(C)c2)CC1 ZINC000126421393 394027288 /nfs/dbraw/zinc/02/72/88/394027288.db2.gz BTTIYIMHLZDWMU-UHFFFAOYSA-N 2 0 277.456 2.873 20 0 CFADRP CCOCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697309 394018565 /nfs/dbraw/zinc/01/85/65/394018565.db2.gz SBUGTNWAINKFPD-HNNXBMFYSA-N 2 0 294.464 2.729 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000126087980 394020126 /nfs/dbraw/zinc/02/01/26/394020126.db2.gz BTVVDZWMSMVOKT-RCCFBDPRSA-N 3 0 295.515 2.961 20 0 CFADRP CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262051649 393952401 /nfs/dbraw/zinc/95/24/01/393952401.db2.gz ZQLOSXMKECZKSW-RHSMWYFYSA-N 2 0 258.409 2.823 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)CC(C)C ZINC000417388570 393954377 /nfs/dbraw/zinc/95/43/77/393954377.db2.gz ZVWYDQUEQBIJKI-CAOSSQGBSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417401166 393957208 /nfs/dbraw/zinc/95/72/08/393957208.db2.gz LCMLIXPMACEOIU-QSPRXWTASA-N 2 0 280.456 2.533 20 0 CFADRP C(=C\c1ccncc1)\C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000486946243 393973271 /nfs/dbraw/zinc/97/32/71/393973271.db2.gz ZMJYVWCMEWWGDB-BQHGXPCASA-N 2 0 293.414 2.959 20 0 CFADRP C(=C/c1ccncc1)\C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000487170987 393986925 /nfs/dbraw/zinc/98/69/25/393986925.db2.gz JUFHMQINVVRMJK-OWOJBTEDSA-N 2 0 271.408 2.559 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1cccc(F)c1 ZINC000430552647 393992833 /nfs/dbraw/zinc/99/28/33/393992833.db2.gz KHDIJKMOTLSGQG-OAHLLOKOSA-N 2 0 268.376 2.510 20 0 CFADRP CN(Cc1ncc(-c2cccc(F)c2)o1)CC(C)(C)C[NH3+] ZINC000430564647 393993697 /nfs/dbraw/zinc/99/36/97/393993697.db2.gz BWRRDMAFBPDDFE-UHFFFAOYSA-N 2 0 291.370 2.897 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124377918 393993963 /nfs/dbraw/zinc/99/39/63/393993963.db2.gz VKJQDIMJGKSAIU-KRWDZBQOSA-N 2 0 295.515 2.985 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000487281929 393994419 /nfs/dbraw/zinc/99/44/19/393994419.db2.gz TZQCWYHJOHJBHO-STQMWFEESA-N 2 0 258.475 2.696 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000430575844 393995493 /nfs/dbraw/zinc/99/54/93/393995493.db2.gz ANZVLVNWAISBAK-HUUCEWRRSA-N 2 0 268.445 2.785 20 0 CFADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000430581054 393996019 /nfs/dbraw/zinc/99/60/19/393996019.db2.gz IOOUNQOPQXNNDV-UHFFFAOYSA-N 2 0 297.830 2.585 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430574507 393996051 /nfs/dbraw/zinc/99/60/51/393996051.db2.gz OCWJNOCAWWJTNU-WBVHZDCISA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)c1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000268977033 393997729 /nfs/dbraw/zinc/99/77/29/393997729.db2.gz JRFBIJVSBJDSBW-HNNXBMFYSA-N 2 0 290.451 2.917 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n(C)n1 ZINC000417878372 394005717 /nfs/dbraw/zinc/00/57/17/394005717.db2.gz RZDLZACAZGMWGH-GJZGRUSLSA-N 2 0 292.471 2.576 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000417875493 394005852 /nfs/dbraw/zinc/00/58/52/394005852.db2.gz PXBKHFTXIWZIBQ-HNNXBMFYSA-N 2 0 278.444 2.505 20 0 CFADRP COc1c(O)cccc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352540179 394015497 /nfs/dbraw/zinc/01/54/97/394015497.db2.gz HVOPHQJIBRQVNR-UHFFFAOYSA-N 2 0 292.423 2.742 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CCO1 ZINC000354166172 394042255 /nfs/dbraw/zinc/04/22/55/394042255.db2.gz JDRRXECBGUYFCZ-BRWVUGGUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000354215607 394043935 /nfs/dbraw/zinc/04/39/35/394043935.db2.gz FKNYUGVKMAFXKP-BZUAXINKSA-N 2 0 270.461 2.759 20 0 CFADRP COC[C@H](C)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274946547 394045508 /nfs/dbraw/zinc/04/55/08/394045508.db2.gz UNHUXKFZHPZVEZ-JFIYKMOQSA-N 2 0 290.451 2.769 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)nc2)CC1 ZINC000437579835 394060565 /nfs/dbraw/zinc/06/05/65/394060565.db2.gz IMKYKZBNWMVVNO-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+](C)C ZINC000128919052 394078340 /nfs/dbraw/zinc/07/83/40/394078340.db2.gz SSHOXYNQNMYZGE-LXZKKBNFSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000356981729 394082773 /nfs/dbraw/zinc/08/27/73/394082773.db2.gz RVFQJJGIAUTBNO-FUHWJXTLSA-N 2 0 294.483 2.857 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000356973428 394082856 /nfs/dbraw/zinc/08/28/56/394082856.db2.gz BCACLUUICUDHIZ-YYIAUSFCSA-N 2 0 280.456 2.608 20 0 CFADRP Cc1cc(NCC[C@H]2CCC[NH2+]C2)c2cc(F)ccc2[nH+]1 ZINC000420207626 394094568 /nfs/dbraw/zinc/09/45/68/394094568.db2.gz QJSJTNAISRSYPV-CYBMUJFWSA-N 2 0 287.382 2.906 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353494665 394031794 /nfs/dbraw/zinc/03/17/94/394031794.db2.gz DJBVACZEWMDFLQ-OAHLLOKOSA-N 2 0 278.444 2.963 20 0 CFADRP CCCC[C@H](COC)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353534837 394032293 /nfs/dbraw/zinc/03/22/93/394032293.db2.gz ZPDAOWNCLYGAAQ-SHARSMKWSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)C1CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000488420818 394036905 /nfs/dbraw/zinc/03/69/05/394036905.db2.gz MJATUGOSGPEKIX-DQVOVIAYSA-N 2 0 294.483 2.779 20 0 CFADRP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420382543 394118176 /nfs/dbraw/zinc/11/81/76/394118176.db2.gz PXRTUZDPMKYSSZ-IRXDYDNUSA-N 2 0 299.422 2.525 20 0 CFADRP CCc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000131383572 394131002 /nfs/dbraw/zinc/13/10/02/394131002.db2.gz ZECRESGWDFBOTH-GJZGRUSLSA-N 2 0 294.439 2.821 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000359939686 394143140 /nfs/dbraw/zinc/14/31/40/394143140.db2.gz DLOZVHZNLOQXMQ-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1OCCc2ccccc21 ZINC000360055256 394144620 /nfs/dbraw/zinc/14/46/20/394144620.db2.gz GVPIBIPMIISETB-DTTOXWODSA-N 2 0 288.435 2.619 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(C)(C)C)CC2)CC1 ZINC000420984407 394146908 /nfs/dbraw/zinc/14/69/08/394146908.db2.gz SZQBWDWLGOAYMC-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC[C@@H]1[C@H](C)CC[NH+]1CC(O)C[N@H+]1CC[C@@H](C)[C@H]1CC ZINC000447308999 394151019 /nfs/dbraw/zinc/15/10/19/394151019.db2.gz JQUXOEAAQKNLKZ-MUIFIZLQSA-N 2 0 282.472 2.588 20 0 CFADRP Cc1ccnc([C@H](C)NC2CC[NH+](C3CC3)CC2)c1 ZINC000285822637 394151392 /nfs/dbraw/zinc/15/13/92/394151392.db2.gz WLZHPEWAISFMJI-ZDUSSCGKSA-N 2 0 259.397 2.667 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC(OC(C)(C)C)C1 ZINC000421013388 394155676 /nfs/dbraw/zinc/15/56/76/394155676.db2.gz QWMYFLNHPVZRIZ-WLYUNCDWSA-N 2 0 268.445 2.749 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@H]1CCC[NH2+]C1 ZINC000422958134 394259826 /nfs/dbraw/zinc/25/98/26/394259826.db2.gz ORUQRAGEPLGRMT-DETPVDSQSA-N 2 0 262.372 2.791 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421365660 394203039 /nfs/dbraw/zinc/20/30/39/394203039.db2.gz BNRLLBQJOUAROG-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422830311 394256274 /nfs/dbraw/zinc/25/62/74/394256274.db2.gz CNCKKQAWWOYFIB-NUEKZKHPSA-N 2 0 276.449 2.734 20 0 CFADRP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422819702 394256473 /nfs/dbraw/zinc/25/64/73/394256473.db2.gz NPIJVPRYPIGNDE-DGAVXFQQSA-N 2 0 256.459 2.781 20 0 CFADRP FC(F)(F)[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000422816706 394256685 /nfs/dbraw/zinc/25/66/85/394256685.db2.gz FVPCEWOQGGXEAU-CMPLNLGQSA-N 2 0 264.335 2.697 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)c3ccccc32)CC1 ZINC000364455879 394215837 /nfs/dbraw/zinc/21/58/37/394215837.db2.gz PVYUUTVKIUQYRN-KSSFIOAISA-N 2 0 288.435 2.671 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)C1CCC1 ZINC000449110615 394216309 /nfs/dbraw/zinc/21/63/09/394216309.db2.gz FJBNSIYCQMZETJ-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1cnccc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000449119766 394218921 /nfs/dbraw/zinc/21/89/21/394218921.db2.gz AUFPRDKIFLFBRJ-UHFFFAOYSA-N 2 0 279.403 2.967 20 0 CFADRP CC[C@@H](NC[C@@H]1CCCC[N@@H+]1CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422992464 394259920 /nfs/dbraw/zinc/25/99/20/394259920.db2.gz COJVIHVJHGISTF-BBWFWOEESA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C/C=C/Cl)CC2)C[C@H](C)O1 ZINC000364491511 394219898 /nfs/dbraw/zinc/21/98/98/394219898.db2.gz KHFZQCWAZNKQBR-CLRNVONRSA-N 2 0 286.847 2.560 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC000449124662 394221203 /nfs/dbraw/zinc/22/12/03/394221203.db2.gz QLRMOHHKSZQKLI-DLBZAZTESA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449131213 394223818 /nfs/dbraw/zinc/22/38/18/394223818.db2.gz KVFGCSXNBOMFGN-JKSUJKDBSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449155913 394233522 /nfs/dbraw/zinc/23/35/22/394233522.db2.gz CLJHFHIUKVQNNO-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150981425 394258252 /nfs/dbraw/zinc/25/82/52/394258252.db2.gz UABICYFWJKOYEO-DOTOQJQBSA-N 2 0 283.504 2.817 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000365807542 394236715 /nfs/dbraw/zinc/23/67/15/394236715.db2.gz VIYATIZFYQMUJJ-SJORKVTESA-N 2 0 292.467 2.798 20 0 CFADRP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000421820365 394243662 /nfs/dbraw/zinc/24/36/62/394243662.db2.gz MBOXODUTQWPETG-ZNMIVQPWSA-N 2 0 266.429 2.551 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000421821952 394243915 /nfs/dbraw/zinc/24/39/15/394243915.db2.gz VAGYVYFJESABAH-GJZGRUSLSA-N 2 0 280.456 2.798 20 0 CFADRP c1cnc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000421821355 394244023 /nfs/dbraw/zinc/24/40/23/394244023.db2.gz RAOORFDNCHVGQI-BBWFWOEESA-N 2 0 285.435 2.545 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421840449 394246123 /nfs/dbraw/zinc/24/61/23/394246123.db2.gz ZEHSRFRDXZHIGG-GVDBMIGSSA-N 2 0 287.451 2.791 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422945935 394259265 /nfs/dbraw/zinc/25/92/65/394259265.db2.gz NWXFJSAJQBHBIN-HUBLWGQQSA-N 2 0 262.397 2.788 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422944921 394259306 /nfs/dbraw/zinc/25/93/06/394259306.db2.gz MTVCKODRMRNMPW-CZUORRHYSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@H]([NH2+]CCSc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422756348 394254024 /nfs/dbraw/zinc/25/40/24/394254024.db2.gz CFCMHWMTJMMVDL-JTQLQIEISA-N 2 0 270.829 2.630 20 0 CFADRP CCOCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449217992 394254993 /nfs/dbraw/zinc/25/49/93/394254993.db2.gz DOBGUJVBZKTSPP-MRXNPFEDSA-N 2 0 290.451 2.708 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421331974 394189430 /nfs/dbraw/zinc/18/94/30/394189430.db2.gz KSBGZUOGSBXTKJ-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421329263 394189475 /nfs/dbraw/zinc/18/94/75/394189475.db2.gz VAWGBZQEJBYNSY-KRWDZBQOSA-N 2 0 294.483 2.782 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnn2CC)CC1 ZINC000134161974 394189746 /nfs/dbraw/zinc/18/97/46/394189746.db2.gz IRFIKRZBEHKEFJ-UHFFFAOYSA-N 2 0 292.471 2.847 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422767585 394255122 /nfs/dbraw/zinc/25/51/22/394255122.db2.gz SXWUHPZWNNAELV-REWJHTLYSA-N 2 0 256.459 2.781 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422806677 394255163 /nfs/dbraw/zinc/25/51/63/394255163.db2.gz IVOYEJDNAXNLIH-WBVHZDCISA-N 2 0 292.467 2.723 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000423025423 394261404 /nfs/dbraw/zinc/26/14/04/394261404.db2.gz ODQVOVBVNZWKOF-TUVASFSCSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037293 394262488 /nfs/dbraw/zinc/26/24/88/394262488.db2.gz MOTMBHZTNFPOKU-STECZYCISA-N 2 0 292.398 2.776 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000423072400 394263323 /nfs/dbraw/zinc/26/33/23/394263323.db2.gz HEJUCSPHARSFRT-ZOWXZIJZSA-N 2 0 282.815 2.824 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)s1 ZINC000151881267 394264638 /nfs/dbraw/zinc/26/46/38/394264638.db2.gz WIYBOZVUNGPUNS-ZDUSSCGKSA-N 2 0 296.480 2.665 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000423074344 394264702 /nfs/dbraw/zinc/26/47/02/394264702.db2.gz URMIUHRNQYJTMV-BBWFWOEESA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000423078906 394265158 /nfs/dbraw/zinc/26/51/58/394265158.db2.gz PPLRONKEVVEKES-QRTARXTBSA-N 2 0 258.409 2.910 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423076218 394265255 /nfs/dbraw/zinc/26/52/55/394265255.db2.gz YQLIEELXFQNJEA-IRKLFDGPSA-N 2 0 280.456 2.702 20 0 CFADRP COC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000423079803 394265444 /nfs/dbraw/zinc/26/54/44/394265444.db2.gz AZCDVPNPAXHFID-NRXISQOPSA-N 2 0 282.815 2.887 20 0 CFADRP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423076567 394265590 /nfs/dbraw/zinc/26/55/90/394265590.db2.gz ZGQWHVUSABJBQJ-MNEFBYGVSA-N 2 0 296.414 2.633 20 0 CFADRP CC(C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000423078898 394265637 /nfs/dbraw/zinc/26/56/37/394265637.db2.gz POVCUVLHVGJLIW-BRWVUGGUSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423081352 394266373 /nfs/dbraw/zinc/26/63/73/394266373.db2.gz BJHRSKHZYQYCRU-SOLBZPMBSA-N 2 0 287.451 2.633 20 0 CFADRP Cc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000423089271 394268191 /nfs/dbraw/zinc/26/81/91/394268191.db2.gz RXQJHPQTPAFGRH-SJPCQFCGSA-N 2 0 288.435 2.945 20 0 CFADRP CCO[C@@H](C[NH2+][C@H](C)CCCC[NH3+])c1ccccc1 ZINC000423088716 394268730 /nfs/dbraw/zinc/26/87/30/394268730.db2.gz QUQDWMULQDFVLO-ZBFHGGJFSA-N 2 0 264.413 2.871 20 0 CFADRP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[C@H]1C1CC1 ZINC000423167235 394271954 /nfs/dbraw/zinc/27/19/54/394271954.db2.gz DWSWWTIEMQOPSB-ATIWLJMLSA-N 2 0 292.467 2.559 20 0 CFADRP F[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423149162 394272250 /nfs/dbraw/zinc/27/22/50/394272250.db2.gz XGZSSUYHCUOVBL-DLTWYDFYSA-N 2 0 290.382 2.723 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423204246 394273586 /nfs/dbraw/zinc/27/35/86/394273586.db2.gz DFVFPDOZTGVZQO-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423242353 394273909 /nfs/dbraw/zinc/27/39/09/394273909.db2.gz FIKDUZWYEXYCBX-GDBMZVCRSA-N 2 0 274.408 2.798 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H](C)[NH3+] ZINC000423226180 394274247 /nfs/dbraw/zinc/27/42/47/394274247.db2.gz PRILPBJEVHYTIM-WFASDCNBSA-N 2 0 252.377 2.720 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CCCC1 ZINC000449385417 394274351 /nfs/dbraw/zinc/27/43/51/394274351.db2.gz FLZXGHWFQKLTGP-IRXDYDNUSA-N 2 0 282.472 2.782 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423254914 394274965 /nfs/dbraw/zinc/27/49/65/394274965.db2.gz ZXDDPBHRSKJKGI-SKDRFNHKSA-N 2 0 284.325 2.680 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1nc2ccccc2n1C ZINC000423275893 394275644 /nfs/dbraw/zinc/27/56/44/394275644.db2.gz MGLXFSIGGTZOHT-IHRRRGAJSA-N 2 0 286.423 2.741 20 0 CFADRP C(C[C@H]1CCC[NH2+]C1)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423278165 394275652 /nfs/dbraw/zinc/27/56/52/394275652.db2.gz QQZWGBIHDDHQRX-CJNGLKHVSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423281959 394275927 /nfs/dbraw/zinc/27/59/27/394275927.db2.gz VOYROPMDCOWSTI-RCBQFDQVSA-N 2 0 262.372 2.920 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423345815 394277888 /nfs/dbraw/zinc/27/78/88/394277888.db2.gz ZDNDTFDBTOMRPN-SJORKVTESA-N 2 0 258.409 2.962 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423372852 394279052 /nfs/dbraw/zinc/27/90/52/394279052.db2.gz BLEOJTPQLMTRCS-FPCVCCKLSA-N 2 0 292.467 2.702 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423388772 394279648 /nfs/dbraw/zinc/27/96/48/394279648.db2.gz IUAZWZHVUVMYPP-COXVUDFISA-N 2 0 278.415 2.980 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000423400962 394279722 /nfs/dbraw/zinc/27/97/22/394279722.db2.gz QNZCZFZPDDRGDB-ZQIUZPCESA-N 2 0 284.407 2.521 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423377811 394279760 /nfs/dbraw/zinc/27/97/60/394279760.db2.gz KKMMEBBGQHFCRD-RDBSUJKOSA-N 2 0 264.413 2.775 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423399791 394279768 /nfs/dbraw/zinc/27/97/68/394279768.db2.gz VCBOGSKWCROFQO-CWRNSKLLSA-N 2 0 292.423 2.632 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000153244530 394280749 /nfs/dbraw/zinc/28/07/49/394280749.db2.gz KPOJUUCELLMGDH-UPTPFMHGSA-N 2 0 294.483 2.876 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423405600 394281106 /nfs/dbraw/zinc/28/11/06/394281106.db2.gz YCUBOLFOQAKHTM-XQQFMLRXSA-N 2 0 251.349 2.531 20 0 CFADRP CCC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CCCC1 ZINC000423416372 394281216 /nfs/dbraw/zinc/28/12/16/394281216.db2.gz QJUKBBXSLRNWGI-JKSUJKDBSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423445595 394282271 /nfs/dbraw/zinc/28/22/71/394282271.db2.gz MUUIYVSOSVFBQU-LBTNJELSSA-N 2 0 287.451 2.863 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1OC ZINC000423462800 394282945 /nfs/dbraw/zinc/28/29/45/394282945.db2.gz FDKMBBJMNALQAT-BARDWOONSA-N 2 0 268.445 2.687 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423509224 394285551 /nfs/dbraw/zinc/28/55/51/394285551.db2.gz OIHZDFWKBOBTPH-HCEZTOJASA-N 2 0 280.456 2.974 20 0 CFADRP CC(C)CSCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000153673228 394289253 /nfs/dbraw/zinc/28/92/53/394289253.db2.gz LEKVAMFJUHQOKV-CQSZACIVSA-N 2 0 258.475 2.649 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-n2cccn2)cc1 ZINC000423530618 394291458 /nfs/dbraw/zinc/29/14/58/394291458.db2.gz RLQNAKWLIUXURM-CQSZACIVSA-N 2 0 284.407 2.665 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423532660 394292242 /nfs/dbraw/zinc/29/22/42/394292242.db2.gz VOXZZFUHWLLRGD-MRXNPFEDSA-N 2 0 276.449 2.749 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423535397 394293009 /nfs/dbraw/zinc/29/30/09/394293009.db2.gz CXLXRWLMGCUUBW-MRXNPFEDSA-N 2 0 277.387 2.817 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2n1C ZINC000423538058 394293863 /nfs/dbraw/zinc/29/38/63/394293863.db2.gz FDBDVIZQJOLIJO-GBJTYRQASA-N 2 0 298.434 2.612 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537050 394294074 /nfs/dbraw/zinc/29/40/74/394294074.db2.gz IVOQKTFXNDXATP-HNNXBMFYSA-N 2 0 290.382 2.721 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423542379 394294841 /nfs/dbraw/zinc/29/48/41/394294841.db2.gz AUFFBYADOMDPDZ-PAYONLEZSA-N 2 0 288.435 2.919 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]C2CC2)C12CCCCC2 ZINC000423545016 394295910 /nfs/dbraw/zinc/29/59/10/394295910.db2.gz DLIOTLFUQZANAB-HZPDHXFCSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423549691 394296277 /nfs/dbraw/zinc/29/62/77/394296277.db2.gz HZEAHVYGNDQXRL-SIXLDLHFSA-N 2 0 258.409 2.910 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423569245 394298168 /nfs/dbraw/zinc/29/81/68/394298168.db2.gz VYIRPILIBRYUIA-ZDUSSCGKSA-N 2 0 290.407 2.664 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000154978682 394306729 /nfs/dbraw/zinc/30/67/29/394306729.db2.gz CWJQOBRBCSLNQI-SJORKVTESA-N 2 0 289.467 2.590 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)NCc2cnns2)cc1 ZINC000450688380 394317976 /nfs/dbraw/zinc/31/79/76/394317976.db2.gz WPPDYXSNGITQMR-NSHDSACASA-N 2 0 299.403 2.883 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000423796277 394320990 /nfs/dbraw/zinc/32/09/90/394320990.db2.gz ZVISZTYKJKEWGE-QGZVFWFLSA-N 2 0 289.423 2.527 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157378510 394344659 /nfs/dbraw/zinc/34/46/59/394344659.db2.gz NJCKFELVKQGSAL-ZWKOTPCHSA-N 2 0 287.451 2.985 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000157418962 394345485 /nfs/dbraw/zinc/34/54/85/394345485.db2.gz QZRLXOXPFHPUME-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]([NH2+]CCN(C)C1CCCCC1)[C@H]1CCOC1 ZINC000157449384 394345518 /nfs/dbraw/zinc/34/55/18/394345518.db2.gz IOHZRSUOEZQNGF-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000157860815 394350654 /nfs/dbraw/zinc/35/06/54/394350654.db2.gz XVMXSGRTOKNYRN-SQNIBIBYSA-N 3 0 295.515 2.961 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000157892586 394351616 /nfs/dbraw/zinc/35/16/16/394351616.db2.gz WIQGYJGOCFUDQD-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCOC1 ZINC000157942925 394351913 /nfs/dbraw/zinc/35/19/13/394351913.db2.gz RGZUBUGLONPNIZ-GVDBMIGSSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000157940217 394352335 /nfs/dbraw/zinc/35/23/35/394352335.db2.gz UZFZBNPQQFPOQB-COPLHBTASA-N 2 0 281.469 2.621 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000451094353 394357236 /nfs/dbraw/zinc/35/72/36/394357236.db2.gz PMAVIFPRRQTPGE-SJLPKXTDSA-N 2 0 293.499 2.665 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000453376718 394392085 /nfs/dbraw/zinc/39/20/85/394392085.db2.gz YTHDAVHYBQPLTO-JKIFEVAISA-N 2 0 278.415 2.995 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)c1 ZINC000158578449 394358949 /nfs/dbraw/zinc/35/89/49/394358949.db2.gz VPMBEENAXNMOQZ-XHSDSOJGSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)O1 ZINC000451132489 394361841 /nfs/dbraw/zinc/36/18/41/394361841.db2.gz IQWNRLIDWAWMBM-MQYQWHSLSA-N 2 0 256.434 2.508 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC000453376786 394392396 /nfs/dbraw/zinc/39/23/96/394392396.db2.gz UXCYMFKTYOEMNP-UBDQQSCGSA-N 2 0 294.483 2.759 20 0 CFADRP F[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@@H](F)C3)c2)C1 ZINC000451203457 394368431 /nfs/dbraw/zinc/36/84/31/394368431.db2.gz ZABSDAZCERIWSM-HZPDHXFCSA-N 2 0 280.362 2.774 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163430633 394368809 /nfs/dbraw/zinc/36/88/09/394368809.db2.gz XAWAKDNSBBAEJX-SMDDNHRTSA-N 2 0 250.361 2.551 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000521859075 394381452 /nfs/dbraw/zinc/38/14/52/394381452.db2.gz XNXBZOVEWUNTCY-HUUCEWRRSA-N 2 0 268.351 2.757 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1O ZINC000453386137 394394373 /nfs/dbraw/zinc/39/43/73/394394373.db2.gz ADKUYFJFNDKYTF-ZDUSSCGKSA-N 2 0 292.423 2.926 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453387098 394394465 /nfs/dbraw/zinc/39/44/65/394394465.db2.gz AVKBFGQFAWIBNF-AWEZNQCLSA-N 2 0 278.444 2.989 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H](C2CC2)C2CCCC2)CC1(C)C ZINC000453225105 394382535 /nfs/dbraw/zinc/38/25/35/394382535.db2.gz UMRIAJQEQRCZCV-KRWDZBQOSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CCCC2)[C@@H]2CCC[C@H]21 ZINC000453388126 394394788 /nfs/dbraw/zinc/39/47/88/394394788.db2.gz FROFRDJOVUEXQE-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000453327261 394386013 /nfs/dbraw/zinc/38/60/13/394386013.db2.gz ULPMSWZPVLFTJL-CYGHRXIMSA-N 2 0 290.451 2.867 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc[nH+]c(C)c2)cc1 ZINC000528141372 394396142 /nfs/dbraw/zinc/39/61/42/394396142.db2.gz SWNIEWBNJVQCIQ-QGZVFWFLSA-N 2 0 297.402 2.507 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000453404547 394397879 /nfs/dbraw/zinc/39/78/79/394397879.db2.gz DLGILWFKHFFNOL-HZSPNIEDSA-N 2 0 272.383 2.884 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000685001951 542886367 /nfs/dbraw/zinc/88/63/67/542886367.db2.gz ORNXZWCRUPIIGR-HNNXBMFYSA-N 2 0 261.413 2.886 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000453410579 394399114 /nfs/dbraw/zinc/39/91/14/394399114.db2.gz IAXNCODLAJKOMU-KKUMJFAQSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cncs1 ZINC000453409512 394399129 /nfs/dbraw/zinc/39/91/29/394399129.db2.gz UMEIBFWHZCVDCN-NSHDSACASA-N 2 0 253.415 2.668 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453411626 394399629 /nfs/dbraw/zinc/39/96/29/394399629.db2.gz VTASNWSEOBIIQN-AWEZNQCLSA-N 2 0 261.413 2.915 20 0 CFADRP C[C@H]([NH2+]CC1(CCO)CCCCC1)C1CC[NH+](C)CC1 ZINC000165695238 542896074 /nfs/dbraw/zinc/89/60/74/542896074.db2.gz NNIFGMRCLYTOQD-HNNXBMFYSA-N 2 0 282.472 2.639 20 0 CFADRP FC1(F)CC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000453429401 394402927 /nfs/dbraw/zinc/40/29/27/394402927.db2.gz QNWVGRMCTVKJJL-OLZOCXBDSA-N 2 0 258.356 2.638 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000685463179 542919794 /nfs/dbraw/zinc/91/97/94/542919794.db2.gz XIXSZWNSDJYCPA-MRXNPFEDSA-N 2 0 274.408 2.556 20 0 CFADRP C[C@H](CF)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000685473388 542921418 /nfs/dbraw/zinc/92/14/18/542921418.db2.gz STVHZALYKOSBQW-GUTXKFCHSA-N 2 0 256.409 2.977 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)C12CC(C1)CO2 ZINC000527788487 394406861 /nfs/dbraw/zinc/40/68/61/394406861.db2.gz HUBAAUGQCOXADY-UHFFFAOYSA-N 2 0 278.440 2.552 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000527921683 394426023 /nfs/dbraw/zinc/42/60/23/394426023.db2.gz PHPJTAPGCHQCJD-IFTGGNMHSA-N 2 0 262.441 2.885 20 0 CFADRP c1cn(Cc2cccc(CN3CCOCC3)c2)c(C2CC2)n1 ZINC000530130523 394456796 /nfs/dbraw/zinc/45/67/96/394456796.db2.gz SUJGUNJTPIELCJ-UHFFFAOYSA-N 2 0 297.402 2.641 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530208540 394480744 /nfs/dbraw/zinc/48/07/44/394480744.db2.gz HOUYPCZUMAOUNU-YYIAUSFCSA-N 2 0 294.483 2.950 20 0 CFADRP COCCC1CC[NH+]([C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000530209456 394480805 /nfs/dbraw/zinc/48/08/05/394480805.db2.gz HTUCYWFJHIMNTR-SJORKVTESA-N 2 0 274.408 2.880 20 0 CFADRP C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000530212185 394481663 /nfs/dbraw/zinc/48/16/63/394481663.db2.gz PNHSDKAJGJEYEL-WBMJQRKESA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000530212182 394481955 /nfs/dbraw/zinc/48/19/55/394481955.db2.gz PNHSDKAJGJEYEL-BLLLJJGKSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CCc2ccccc2CC1 ZINC000530213727 394482627 /nfs/dbraw/zinc/48/26/27/394482627.db2.gz VRDXJECSCHJMLM-ZIAGYGMSSA-N 2 0 260.425 2.897 20 0 CFADRP CCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(OC)cc1 ZINC000530230545 394492183 /nfs/dbraw/zinc/49/21/83/394492183.db2.gz AMVUORLKVHQQHU-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H](C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000530249047 394496711 /nfs/dbraw/zinc/49/67/11/394496711.db2.gz SYYNPGKUEBPLLM-GOEBONIOSA-N 2 0 282.472 2.759 20 0 CFADRP Fc1ccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000530328843 394506273 /nfs/dbraw/zinc/50/62/73/394506273.db2.gz JQNBDWPCRRZRRV-UHFFFAOYSA-N 2 0 294.389 2.971 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000537967459 394595713 /nfs/dbraw/zinc/59/57/13/394595713.db2.gz KJEFOMOLEGLCKJ-KSSFIOAISA-N 2 0 268.404 2.922 20 0 CFADRP CC(C)c1nc(CN2CC[C@@H](c3nccn3C)C2)cs1 ZINC000541892902 394690102 /nfs/dbraw/zinc/69/01/02/394690102.db2.gz VJUCQOMHDVJXAE-GFCCVEGCSA-N 2 0 290.436 2.990 20 0 CFADRP C[C@H](Cc1ccsc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000542149447 394696504 /nfs/dbraw/zinc/69/65/04/394696504.db2.gz BZVMOUUWCDUYRQ-CYBMUJFWSA-N 2 0 266.454 2.953 20 0 CFADRP COC(C)(C)C[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000544350061 394757154 /nfs/dbraw/zinc/75/71/54/394757154.db2.gz FLFNRKGZEOYYNC-UHFFFAOYSA-N 2 0 279.409 2.791 20 0 CFADRP CC(C)[C@@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504371 394872041 /nfs/dbraw/zinc/87/20/41/394872041.db2.gz BRQCZXLNSDYAPB-BPQIPLTHSA-N 2 0 290.451 2.504 20 0 CFADRP CC(C)(C)c1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000685838999 542949243 /nfs/dbraw/zinc/94/92/43/542949243.db2.gz DXRRZPFVBLAYGM-IYBDPMFKSA-N 2 0 272.436 2.678 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166754061 542967175 /nfs/dbraw/zinc/96/71/75/542967175.db2.gz OYAWCAXWCWWFAM-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP Fc1ccc(F)c(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166762857 542966897 /nfs/dbraw/zinc/96/68/97/542966897.db2.gz BZCKHXRYSNVIPZ-LSDHHAIUSA-N 2 0 280.362 2.724 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC1CCCCC1 ZINC000555880899 394985583 /nfs/dbraw/zinc/98/55/83/394985583.db2.gz ZAWGXKGLYNSTME-IAGOWNOFSA-N 2 0 282.472 2.734 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000556078083 394988961 /nfs/dbraw/zinc/98/89/61/394988961.db2.gz ODTLODAABPAYCJ-MSOLQXFVSA-N 2 0 290.451 2.799 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000556078086 394988992 /nfs/dbraw/zinc/98/89/92/394988992.db2.gz ODTLODAABPAYCJ-ROUUACIJSA-N 2 0 290.451 2.799 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cscn1 ZINC000556433709 395001597 /nfs/dbraw/zinc/00/15/97/395001597.db2.gz PMVWFDPUJNPJNB-NSHDSACASA-N 2 0 253.415 2.668 20 0 CFADRP C[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)C[C@@]1(C)C[NH3+] ZINC000556948026 395025814 /nfs/dbraw/zinc/02/58/14/395025814.db2.gz HQLKLFOAFDOMHA-RDTXWAMCSA-N 2 0 296.418 2.560 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(C2CCCCC2)s1 ZINC000556932339 395026261 /nfs/dbraw/zinc/02/62/61/395026261.db2.gz ZOMGRCIEWVLRCO-NSHDSACASA-N 2 0 267.442 2.875 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@@H]2C(C)C)CC[NH+](C)CC1 ZINC000558505135 395062727 /nfs/dbraw/zinc/06/27/27/395062727.db2.gz AXHDQMRRDWBHGR-KGLIPLIRSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)CC[N@@H+]1C ZINC000558698091 395072310 /nfs/dbraw/zinc/07/23/10/395072310.db2.gz NVRYHYQSBHMFAN-ZJUUUORDSA-N 2 0 252.324 2.647 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)CCO1 ZINC000648415472 395133908 /nfs/dbraw/zinc/13/39/08/395133908.db2.gz DXRJILRAYYKOOP-JKSUJKDBSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000648448161 395146894 /nfs/dbraw/zinc/14/68/94/395146894.db2.gz MRXQERHGUVNDIA-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000648450616 395148368 /nfs/dbraw/zinc/14/83/68/395148368.db2.gz WEZDDBFBHYHLAZ-WMZOPIPTSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CCO1 ZINC000648483963 395168215 /nfs/dbraw/zinc/16/82/15/395168215.db2.gz WCLADAXKXLISTN-SSHXOBKSSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000648659446 395238881 /nfs/dbraw/zinc/23/88/81/395238881.db2.gz AMLHMDUPGGSHMN-UHFFFAOYSA-N 2 0 299.418 2.620 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000647170347 395196576 /nfs/dbraw/zinc/19/65/76/395196576.db2.gz WZYRLXJOCYKSQI-WMLDXEAASA-N 2 0 274.408 2.549 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000648563406 395199425 /nfs/dbraw/zinc/19/94/25/395199425.db2.gz SPIXGCBDKKTFNV-LMPOIIKSSA-N 2 0 266.429 2.551 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648590241 395209420 /nfs/dbraw/zinc/20/94/20/395209420.db2.gz TVNOWOCUJIDFOF-ZNMIVQPWSA-N 2 0 256.434 2.654 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648590240 395209653 /nfs/dbraw/zinc/20/96/53/395209653.db2.gz TVNOWOCUJIDFOF-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000647188252 395210024 /nfs/dbraw/zinc/21/00/24/395210024.db2.gz ZCUPJKDILBLSLX-MQVJKMGUSA-N 2 0 290.455 2.644 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000648594420 395212773 /nfs/dbraw/zinc/21/27/73/395212773.db2.gz JFGGRUWIPFEKQB-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@@H]2CCC[C@@H]21 ZINC000647312813 395286039 /nfs/dbraw/zinc/28/60/39/395286039.db2.gz OYYYEDFHRBDHHE-AICCOOGYSA-N 2 0 254.393 2.730 20 0 CFADRP FC(F)OC1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000648817863 395325349 /nfs/dbraw/zinc/32/53/49/395325349.db2.gz DVFNYCCEXAEZIQ-YIFLHPOLSA-N 2 0 288.382 2.753 20 0 CFADRP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC(F)F ZINC000647317785 395288774 /nfs/dbraw/zinc/28/87/74/395288774.db2.gz YDYUTJIUTHORSB-LLVKDONJSA-N 2 0 260.372 2.742 20 0 CFADRP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000647337459 395300100 /nfs/dbraw/zinc/30/01/00/395300100.db2.gz PJYDNYZZPGXLAB-UKRRQHHQSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000647341756 395304272 /nfs/dbraw/zinc/30/42/72/395304272.db2.gz AYSQGVSTBNKOQA-AEGPPILISA-N 2 0 268.445 2.652 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343921 395306241 /nfs/dbraw/zinc/30/62/41/395306241.db2.gz FXAWRQLNXQUGDQ-XCRHUMRWSA-N 2 0 298.434 2.714 20 0 CFADRP CC(C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343986 395306568 /nfs/dbraw/zinc/30/65/68/395306568.db2.gz HAJDKGYZNAIXGV-OIISXLGYSA-N 2 0 260.425 2.966 20 0 CFADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000647343035 395306592 /nfs/dbraw/zinc/30/65/92/395306592.db2.gz AQMFCNSMFCULKG-IYBDPMFKSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000647248794 395256595 /nfs/dbraw/zinc/25/65/95/395256595.db2.gz FPPARNGETRVYJN-XYPHTWIQSA-N 2 0 258.409 2.720 20 0 CFADRP C(=C\c1ccccc1)\C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482938 395355287 /nfs/dbraw/zinc/35/52/87/395355287.db2.gz LGDKWNCKDPASBC-DAXSKMNVSA-N 2 0 256.393 2.916 20 0 CFADRP Cc1ccc(CCC[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482557 395355631 /nfs/dbraw/zinc/35/56/31/395355631.db2.gz PFQACCXHRKGZBJ-UHFFFAOYSA-N 2 0 273.424 2.539 20 0 CFADRP c1nc(C2CC2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000647483270 395356832 /nfs/dbraw/zinc/35/68/32/395356832.db2.gz ODLHODGCFCGAPW-HNNXBMFYSA-N 2 0 291.464 2.985 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647485378 395357218 /nfs/dbraw/zinc/35/72/18/395357218.db2.gz UJPXTHNOBALLRN-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cscc2Cl)C1 ZINC000647496499 395359074 /nfs/dbraw/zinc/35/90/74/395359074.db2.gz ODRLSXURZHHJDO-NXEZZACHSA-N 2 0 258.818 2.961 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000647498884 395364753 /nfs/dbraw/zinc/36/47/53/395364753.db2.gz SOJSHFCAHPCYNR-GXTWGEPZSA-N 2 0 284.350 2.847 20 0 CFADRP CC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647498818 395364775 /nfs/dbraw/zinc/36/47/75/395364775.db2.gz RIAVXBXJURVNBZ-WVSRPDOZSA-N 2 0 262.372 2.898 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4cnccc43)C[C@@H]21 ZINC000647511965 395367562 /nfs/dbraw/zinc/36/75/62/395367562.db2.gz WKWMWQOTQKSLRI-RYQLBKOJSA-N 2 0 281.403 2.794 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000647531770 395376449 /nfs/dbraw/zinc/37/64/49/395376449.db2.gz ZSWKICKOOUCOQT-UHFFFAOYSA-N 2 0 255.365 2.548 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647532995 395377642 /nfs/dbraw/zinc/37/76/42/395377642.db2.gz JJMKGKPHENSCIY-RRFJBIMHSA-N 2 0 250.430 2.887 20 0 CFADRP Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542964 395384671 /nfs/dbraw/zinc/38/46/71/395384671.db2.gz FIFCTXNWBNAKSK-JKSUJKDBSA-N 2 0 274.408 2.604 20 0 CFADRP Cc1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543020 395384879 /nfs/dbraw/zinc/38/48/79/395384879.db2.gz GNSAHYFPQZSFNL-ZIAGYGMSSA-N 2 0 279.453 2.663 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544185 395385550 /nfs/dbraw/zinc/38/55/50/395385550.db2.gz XZFLURXEDKVFCE-KBPBESRZSA-N 2 0 294.464 2.968 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544023 395386352 /nfs/dbraw/zinc/38/63/52/395386352.db2.gz VPFUZBLIITVVEP-RDJZCZTQSA-N 2 0 273.424 2.602 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543818 395386380 /nfs/dbraw/zinc/38/63/80/395386380.db2.gz SJZWBALNNATIGW-KGLIPLIRSA-N 2 0 293.480 2.917 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2c(c1)NCCC2 ZINC000647547753 395387515 /nfs/dbraw/zinc/38/75/15/395387515.db2.gz CDALWPLGPCOJOW-CWRNSKLLSA-N 2 0 285.435 2.522 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549290 395388359 /nfs/dbraw/zinc/38/83/59/395388359.db2.gz QTONFBRFBUDQFT-IXDOHACOSA-N 2 0 288.435 2.742 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000647548889 395388536 /nfs/dbraw/zinc/38/85/36/395388536.db2.gz ZGJLALAOXZSDRD-KZNAEPCWSA-N 2 0 272.436 2.824 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549901 395389794 /nfs/dbraw/zinc/38/97/94/395389794.db2.gz WUUCCQADIZLBHL-UXIGCNINSA-N 2 0 294.826 2.826 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OCC ZINC000647552718 395390839 /nfs/dbraw/zinc/39/08/39/395390839.db2.gz SGXARKUAHMOAMG-CHWSQXEVSA-N 2 0 280.412 2.699 20 0 CFADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000647880935 395450848 /nfs/dbraw/zinc/45/08/48/395450848.db2.gz HLGYMVQPZJDHNR-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@H](O)C[N@H+](CCCC1CC[NH2+]CC1)C1CCCCC1 ZINC000647884136 395452173 /nfs/dbraw/zinc/45/21/73/395452173.db2.gz QWLVSJZHQDUJNA-HNNXBMFYSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647884097 395452332 /nfs/dbraw/zinc/45/23/32/395452332.db2.gz HJWHRVCFDXBNFH-DOTOQJQBSA-N 2 0 258.409 2.611 20 0 CFADRP CC(C)CO[C@H]1CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647891434 395454828 /nfs/dbraw/zinc/45/48/28/395454828.db2.gz BFJYSJVKPIQKAA-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CCCS2)C1 ZINC000647910776 395455966 /nfs/dbraw/zinc/45/59/66/395455966.db2.gz FJJARNPSFDMYHX-KGLIPLIRSA-N 2 0 256.459 2.546 20 0 CFADRP Clc1ccccc1C1([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000647995342 395475108 /nfs/dbraw/zinc/47/51/08/395475108.db2.gz QCJSZNQKKRUUAD-LBPRGKRZSA-N 2 0 264.800 2.918 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccccc2OC)CC[C@@H]1[NH3+] ZINC000647935093 395461688 /nfs/dbraw/zinc/46/16/88/395461688.db2.gz ZEACNRSYUDPDQL-ZBFHGGJFSA-N 2 0 276.424 2.687 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@H]1[NH3+] ZINC000647936829 395461804 /nfs/dbraw/zinc/46/18/04/395461804.db2.gz LZHWGVNHXIOPQS-LYRGGWFBSA-N 2 0 262.372 2.872 20 0 CFADRP CC[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000647937348 395462656 /nfs/dbraw/zinc/46/26/56/395462656.db2.gz WHRSLGKQFFLTEL-ZJIFWQFVSA-N 2 0 268.445 2.641 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000647995290 395474766 /nfs/dbraw/zinc/47/47/66/395474766.db2.gz MLLYUMPKCKZOCO-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977567 395471576 /nfs/dbraw/zinc/47/15/76/395471576.db2.gz DQBRZLRUOLKHDX-ROUUACIJSA-N 3 0 293.499 2.574 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976337 395471647 /nfs/dbraw/zinc/47/16/47/395471647.db2.gz NGZBEAUMWZKJAU-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)oc1C1CC1 ZINC000647977837 395471826 /nfs/dbraw/zinc/47/18/26/395471826.db2.gz IRQWWEHGOKGTAF-GJZGRUSLSA-N 2 0 289.423 2.764 20 0 CFADRP C(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CC[NH+]1CCCCC1 ZINC000647785930 395427776 /nfs/dbraw/zinc/42/77/76/395427776.db2.gz GFYURCDJYKGLAL-RCCFBDPRSA-N 3 0 293.499 2.620 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647785959 395427961 /nfs/dbraw/zinc/42/79/61/395427961.db2.gz GXUTYDKZTQFGDG-FGTMMUONSA-N 2 0 272.436 2.824 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647785975 395428162 /nfs/dbraw/zinc/42/81/62/395428162.db2.gz GZAYBDLSTPMWCU-YESZJQIVSA-N 2 0 288.435 2.606 20 0 CFADRP c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786447 395428209 /nfs/dbraw/zinc/42/82/09/395428209.db2.gz PGEZNPPADRVIHK-RBSFLKMASA-N 2 0 270.376 2.911 20 0 CFADRP c1ccc(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788735 395428900 /nfs/dbraw/zinc/42/89/00/395428900.db2.gz PNBGYSIMBCOEEY-KZNAEPCWSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c[nH]c2c1 ZINC000647787970 395429018 /nfs/dbraw/zinc/42/90/18/395429018.db2.gz BHKKZWPLGHGUBB-USXIJHARSA-N 2 0 297.446 2.997 20 0 CFADRP c1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647791770 395429541 /nfs/dbraw/zinc/42/95/41/395429541.db2.gz MSTWDMXYBUXKAK-IIAWOOMASA-N 2 0 256.393 2.653 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647790430 395429671 /nfs/dbraw/zinc/42/96/71/395429671.db2.gz YICKQVZRUWCLPJ-YESZJQIVSA-N 2 0 288.435 2.953 20 0 CFADRP c1ccc(C2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000647791524 395429983 /nfs/dbraw/zinc/42/99/83/395429983.db2.gz GQPPMGSOUQJIFN-DROMLMRLSA-N 2 0 270.420 2.910 20 0 CFADRP c1oc2ccccc2c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647792307 395430169 /nfs/dbraw/zinc/43/01/69/395430169.db2.gz YVWMCZXABNNSRU-VNHYZAJKSA-N 2 0 270.376 2.911 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647792144 395430549 /nfs/dbraw/zinc/43/05/49/395430549.db2.gz UNFHEJUJKIBFIW-HWMZRRJGSA-N 2 0 286.419 2.715 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647794076 395431477 /nfs/dbraw/zinc/43/14/77/395431477.db2.gz QIAGUUIOJJTJQU-VZZFWQQMSA-N 2 0 279.453 2.533 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647795736 395432090 /nfs/dbraw/zinc/43/20/90/395432090.db2.gz VEDBDFHNRKIECA-RBSFLKMASA-N 2 0 291.464 2.671 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC000647799909 395433426 /nfs/dbraw/zinc/43/34/26/395433426.db2.gz TUEGUGLWQBDMBT-LHHMISFZSA-N 2 0 299.462 2.935 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647798832 395433775 /nfs/dbraw/zinc/43/37/75/395433775.db2.gz XZFSKSIXSVRTOZ-RCCFBDPRSA-N 2 0 270.420 2.850 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647800947 395434599 /nfs/dbraw/zinc/43/45/99/395434599.db2.gz MUWBBTFWZDYZLL-LBPRGKRZSA-N 2 0 282.815 2.673 20 0 CFADRP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000647978596 395472439 /nfs/dbraw/zinc/47/24/39/395472439.db2.gz VHJGRPKGTGAQEV-KKUMJFAQSA-N 2 0 277.412 2.756 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815337 395439212 /nfs/dbraw/zinc/43/92/12/395439212.db2.gz ZZIGNSXGHALGKG-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](CCC[NH3+])CCSc1ccc(Cl)cc1 ZINC000647848105 395445116 /nfs/dbraw/zinc/44/51/16/395445116.db2.gz DNBWGJAGLANOCJ-UHFFFAOYSA-N 2 0 258.818 2.713 20 0 CFADRP CC(C)Oc1ccnc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000649488761 395507522 /nfs/dbraw/zinc/50/75/22/395507522.db2.gz YGTMMJSOSKINBD-UHFFFAOYSA-N 2 0 291.439 2.642 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@H]2CCC[NH+]2C)C1 ZINC000649531501 395518130 /nfs/dbraw/zinc/51/81/30/395518130.db2.gz IZPOXPIVVMPBKW-KZNAEPCWSA-N 2 0 293.499 2.667 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000649572330 395528400 /nfs/dbraw/zinc/52/84/00/395528400.db2.gz SGDGUCGNQKZEMS-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP FC1(F)CC[C@@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000649351943 395476795 /nfs/dbraw/zinc/47/67/95/395476795.db2.gz YCRXWTBHAUMENK-CYBMUJFWSA-N 2 0 281.350 2.639 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccnn2CC(C)C)C1 ZINC000648010831 395479478 /nfs/dbraw/zinc/47/94/78/395479478.db2.gz VRMCTASKLDCRCR-INIZCTEOSA-N 2 0 292.471 2.703 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000036992586 543025626 /nfs/dbraw/zinc/02/56/26/543025626.db2.gz HUSWEQKZEKLQJV-OLZOCXBDSA-N 2 0 266.454 2.999 20 0 CFADRP C(CC1CC[NH2+]CC1)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000649412128 395489226 /nfs/dbraw/zinc/48/92/26/395489226.db2.gz MQTNMAGVAJQPGB-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000649411587 395489435 /nfs/dbraw/zinc/48/94/35/395489435.db2.gz IXGIYBTXCACCHF-QGZVFWFLSA-N 3 0 293.499 2.574 20 0 CFADRP c1ccc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)nc1 ZINC000649411562 395489583 /nfs/dbraw/zinc/48/95/83/395489583.db2.gz GGTRGXGAZYIYFS-MRXNPFEDSA-N 2 0 259.397 2.608 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(O)cc2)[C@H](c2ccccc2)C1 ZINC000648068310 395496141 /nfs/dbraw/zinc/49/61/41/395496141.db2.gz PYKQIXYJJWLIQE-MJGOQNOKSA-N 2 0 296.414 2.827 20 0 CFADRP Cc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000648071819 395497604 /nfs/dbraw/zinc/49/76/04/395497604.db2.gz VWEFPFCDBXASPX-UHFFFAOYSA-N 2 0 288.435 2.600 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000649965079 395596564 /nfs/dbraw/zinc/59/65/64/395596564.db2.gz YVDNWSPGRZGECS-FPCVCCKLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]([NH2+]CCCN(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000037209272 543027783 /nfs/dbraw/zinc/02/77/83/543027783.db2.gz PAFURFOIRMJFHP-INIZCTEOSA-N 2 0 289.467 2.833 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000183299808 543038041 /nfs/dbraw/zinc/03/80/41/543038041.db2.gz HNDWFJBBBMXFAY-AWEZNQCLSA-N 2 0 269.392 2.618 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000309952453 413081461 /nfs/dbraw/zinc/08/14/61/413081461.db2.gz GYQPIJGURCUGHA-DOTOQJQBSA-N 2 0 276.424 2.653 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310006652 413083725 /nfs/dbraw/zinc/08/37/25/413083725.db2.gz ICMOKBQVCUYRPT-XYJFISCASA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C1CC[NH+](C)CC1 ZINC000386821955 543103164 /nfs/dbraw/zinc/10/31/64/543103164.db2.gz PFWSREDDHQXLPF-XCAIRMDXSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000312680223 413093933 /nfs/dbraw/zinc/09/39/33/413093933.db2.gz CYEOSMNKSBKAJO-HZPDHXFCSA-N 2 0 284.488 2.836 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000312993652 413094068 /nfs/dbraw/zinc/09/40/68/413094068.db2.gz XZNZVLKGUYHLGA-UONOGXRCSA-N 2 0 294.826 2.650 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401043897 413160232 /nfs/dbraw/zinc/16/02/32/413160232.db2.gz UZEFXVDATUJZRU-OLMNGRFOSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401014008 413161344 /nfs/dbraw/zinc/16/13/44/413161344.db2.gz IDPRDOPJGYCHBC-JHJVBQTASA-N 2 0 250.411 2.534 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000401038233 413161404 /nfs/dbraw/zinc/16/14/04/413161404.db2.gz SGZBTIJNIQGFEB-LYYZXLFJSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401149301 413162647 /nfs/dbraw/zinc/16/26/47/413162647.db2.gz OZTASLRGAXYYNQ-IXDOHACOSA-N 2 0 258.409 2.515 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401149303 413164009 /nfs/dbraw/zinc/16/40/09/413164009.db2.gz OZTASLRGAXYYNQ-YESZJQIVSA-N 2 0 258.409 2.515 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC[NH+](C)CC2)C1 ZINC000343113211 397654431 /nfs/dbraw/zinc/65/44/31/397654431.db2.gz XNHZIDRDJBAGFU-QAPCUYQASA-N 2 0 287.451 2.506 20 0 CFADRP Cc1ncsc1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000104444515 397596248 /nfs/dbraw/zinc/59/62/48/397596248.db2.gz LDHHWZNJNBMAEL-UHFFFAOYSA-N 2 0 267.442 2.663 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000148060638 397604590 /nfs/dbraw/zinc/60/45/90/397604590.db2.gz LXUQSGDHSNALKL-QGZVFWFLSA-N 2 0 260.425 2.939 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC(C)CC1 ZINC000355425752 292123222 /nfs/dbraw/zinc/12/32/22/292123222.db2.gz PMSNSNSFYZYHOK-VUROTCPHSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650762532 397886895 /nfs/dbraw/zinc/88/68/95/397886895.db2.gz CYYOMAFPHGYHNV-CVEARBPZSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@H](COCC1CC1)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000650761300 397886906 /nfs/dbraw/zinc/88/69/06/397886906.db2.gz XDGHHZOHDGXVRO-SQWLQELKSA-N 2 0 268.445 2.702 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000650762681 397886910 /nfs/dbraw/zinc/88/69/10/397886910.db2.gz HTPDIGKOVCHRAT-BRWVUGGUSA-N 2 0 280.456 2.561 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000650762524 397886927 /nfs/dbraw/zinc/88/69/27/397886927.db2.gz CODVCAVEMRBNQF-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000650761746 397887066 /nfs/dbraw/zinc/88/70/66/397887066.db2.gz JGLYCRRHRUGNGT-MRXNPFEDSA-N 2 0 250.430 2.935 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@H]1[NH3+] ZINC000650703202 397859941 /nfs/dbraw/zinc/85/99/41/397859941.db2.gz OXKAZAXRSHGHJJ-SUMWQHHRSA-N 2 0 258.409 2.735 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCC4)C[C@@H]21 ZINC000650702990 397860018 /nfs/dbraw/zinc/86/00/18/397860018.db2.gz DBMAJXMSYYKTFP-BPQIPLTHSA-N 2 0 270.420 2.735 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nccc3ccccc31)C2 ZINC000650709140 397861577 /nfs/dbraw/zinc/86/15/77/397861577.db2.gz FQGXTBUPQJVNDO-YJBOKZPZSA-N 2 0 281.403 2.796 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763068 397887839 /nfs/dbraw/zinc/88/78/39/397887839.db2.gz QBIMEFOGJZKXQJ-MRXNPFEDSA-N 2 0 274.408 2.749 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH3+])CCc2ccc(Cl)cc21 ZINC000650710127 397862449 /nfs/dbraw/zinc/86/24/49/397862449.db2.gz FDYLPFLHJOTKPV-LLVKDONJSA-N 2 0 252.789 2.650 20 0 CFADRP CC[N@H+](CCCNC[C@H]([NH3+])CC(C)C)C1CCCCC1 ZINC000650710094 397862970 /nfs/dbraw/zinc/86/29/70/397862970.db2.gz CYDDWRDLHQPRRF-MRXNPFEDSA-N 2 0 283.504 2.994 20 0 CFADRP CC[N@H+](CCCNC[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000650710164 397863128 /nfs/dbraw/zinc/86/31/28/397863128.db2.gz GMHCVBKVLUNIEV-QGZVFWFLSA-N 2 0 281.488 2.620 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762855 397887938 /nfs/dbraw/zinc/88/79/38/397887938.db2.gz LUGSWGZHPGXTMV-ZDUSSCGKSA-N 2 0 261.413 2.684 20 0 CFADRP CC[C@@H](OCC[NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000650710694 397863948 /nfs/dbraw/zinc/86/39/48/397863948.db2.gz XDNVXYPFFJPTOO-QGZVFWFLSA-N 2 0 276.424 2.744 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453154690 296567163 /nfs/dbraw/zinc/56/71/63/296567163.db2.gz AIEJJWSCKMSWRG-KURKYZTESA-N 2 0 292.467 2.533 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650713432 397864541 /nfs/dbraw/zinc/86/45/41/397864541.db2.gz SJNRAMNCEXJWPD-UHFFFAOYSA-N 2 0 267.442 2.560 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000650712465 397864771 /nfs/dbraw/zinc/86/47/71/397864771.db2.gz DZZCGAXFHIHLOR-UHFFFAOYSA-N 2 0 284.350 2.549 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000650711959 397864783 /nfs/dbraw/zinc/86/47/83/397864783.db2.gz LAJKVIYLEXYSOT-UHFFFAOYSA-N 2 0 272.314 2.924 20 0 CFADRP Cc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1Cl ZINC000650713033 397864862 /nfs/dbraw/zinc/86/48/62/397864862.db2.gz CDRUHLDJLYRIED-UHFFFAOYSA-N 2 0 252.789 2.867 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650718033 397868361 /nfs/dbraw/zinc/86/83/61/397868361.db2.gz VMRJCFKENXTIOH-HFBAOOFYSA-N 2 0 292.398 2.578 20 0 CFADRP [NH3+]C1CCC([NH2+]CC[C@@H]2CCc3ccccc3N2)CC1 ZINC000650720883 397869240 /nfs/dbraw/zinc/86/92/40/397869240.db2.gz FLBPPYFWUNASKH-GPANFISMSA-N 2 0 273.424 2.663 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763559 397888546 /nfs/dbraw/zinc/88/85/46/397888546.db2.gz DIHRUVHFSCPBSB-MRXNPFEDSA-N 2 0 274.408 2.880 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CC[C@H]2CCc3ccccc3N2)CC[NH2+]1 ZINC000650720970 397870466 /nfs/dbraw/zinc/87/04/66/397870466.db2.gz KDRHJGKFCRZFNO-HLLBOEOZSA-N 2 0 287.451 2.781 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722341 397870564 /nfs/dbraw/zinc/87/05/64/397870564.db2.gz QBMCVYVDPDHCGG-RCCFBDPRSA-N 2 0 288.435 2.856 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccsc2)C1 ZINC000650722001 397870713 /nfs/dbraw/zinc/87/07/13/397870713.db2.gz HZWGJRDVBYACAA-RBSFLKMASA-N 2 0 280.437 2.609 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC2CCCCC2)C1 ZINC000650723547 397871163 /nfs/dbraw/zinc/87/11/63/397871163.db2.gz PYCCFGNORKYAAJ-ZACQAIPSSA-N 2 0 280.456 2.928 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741158 397875654 /nfs/dbraw/zinc/87/56/54/397875654.db2.gz ZAHGEBYVKQGITN-AWEZNQCLSA-N 2 0 294.414 2.591 20 0 CFADRP CC[N@H+](CCCN[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000650742257 397876523 /nfs/dbraw/zinc/87/65/23/397876523.db2.gz UOUPTVRZHIVBNZ-DOTOQJQBSA-N 2 0 281.488 2.748 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@H](C)[C@@H]1OC ZINC000650745207 397878718 /nfs/dbraw/zinc/87/87/18/397878718.db2.gz BQBCPYRUCXXFJR-MJBXVCDLSA-N 2 0 268.445 2.545 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)C12CCCCC2 ZINC000650745963 397878745 /nfs/dbraw/zinc/87/87/45/397878745.db2.gz SFPUPKOWTPCTDY-LSDHHAIUSA-N 2 0 280.456 2.833 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C1(CC)CC ZINC000650745705 397878802 /nfs/dbraw/zinc/87/88/02/397878802.db2.gz MBRLJEXLPVFATG-KGLIPLIRSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccnn1-c1ccccc1 ZINC000650747257 397880102 /nfs/dbraw/zinc/88/01/02/397880102.db2.gz VXISYGINTFYJSO-AWEZNQCLSA-N 2 0 284.407 2.652 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755769 397884507 /nfs/dbraw/zinc/88/45/07/397884507.db2.gz MLBJUHDHQMGTQL-LLVKDONJSA-N 2 0 262.328 2.598 20 0 CFADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755878 397884634 /nfs/dbraw/zinc/88/46/34/397884634.db2.gz OUEYHKHXWMZLPK-KBMXLJTQSA-N 2 0 262.372 2.953 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414832138 533674731 /nfs/dbraw/zinc/67/47/31/533674731.db2.gz DVQREBLPLSIUSN-RDJZCZTQSA-N 2 0 260.425 2.987 20 0 CFADRP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000421819819 292149642 /nfs/dbraw/zinc/14/96/42/292149642.db2.gz JDSIUNJUXJBQIF-JYJNAYRXSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000404424640 413201505 /nfs/dbraw/zinc/20/15/05/413201505.db2.gz KWFVWFWNWZEMSL-MFKMUULPSA-N 2 0 267.442 2.709 20 0 CFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404400856 413202090 /nfs/dbraw/zinc/20/20/90/413202090.db2.gz RDBJUQFKFPEMLY-RHSMWYFYSA-N 2 0 292.423 2.523 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404424571 413203247 /nfs/dbraw/zinc/20/32/47/413203247.db2.gz KUHZOWNXMHELBZ-RHSMWYFYSA-N 2 0 276.424 2.782 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404424570 413203430 /nfs/dbraw/zinc/20/34/30/413203430.db2.gz KUHZOWNXMHELBZ-PBHICJAKSA-N 2 0 276.424 2.782 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1C ZINC000404425303 413205416 /nfs/dbraw/zinc/20/54/16/413205416.db2.gz LGTHSCDEMMUOKQ-CJNGLKHVSA-N 2 0 276.424 2.953 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000404424644 413207997 /nfs/dbraw/zinc/20/79/97/413207997.db2.gz KWFVWFWNWZEMSL-ZWNOBZJWSA-N 2 0 267.442 2.709 20 0 CFADRP CC(C)O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000404669666 413211773 /nfs/dbraw/zinc/21/17/73/413211773.db2.gz VOAHNFLVVPMWGT-GOSISDBHSA-N 2 0 288.435 2.722 20 0 CFADRP CCCOc1cccc(CN(C)CC(C)(C)[NH3+])c1 ZINC000656783684 413220908 /nfs/dbraw/zinc/22/09/08/413220908.db2.gz UHSZVILWPGDVTA-UHFFFAOYSA-N 2 0 250.386 2.645 20 0 CFADRP C([NH2+][C@@H]1CCCSCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466235 413222801 /nfs/dbraw/zinc/22/28/01/413222801.db2.gz PTJLSJKJBNVINI-JKSUJKDBSA-N 2 0 282.497 2.984 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663465268 413222635 /nfs/dbraw/zinc/22/26/35/413222635.db2.gz IWWYPWNWPCYTCK-YOEHRIQHSA-N 2 0 276.424 2.922 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466535 413224254 /nfs/dbraw/zinc/22/42/54/413224254.db2.gz VEFJAYARLLIZIW-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCC1 ZINC000656785776 413225289 /nfs/dbraw/zinc/22/52/89/413225289.db2.gz JPIDQGPQMMALDW-HNNXBMFYSA-N 2 0 250.430 2.888 20 0 CFADRP CCOCCC1(C[NH2+]C[C@@]2(C)CC[NH2+]C2)CCCC1 ZINC000415091490 286047838 /nfs/dbraw/zinc/04/78/38/286047838.db2.gz QHDRGYDUTDPCDM-HNNXBMFYSA-N 2 0 268.445 2.563 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CCC1 ZINC000422933342 286048121 /nfs/dbraw/zinc/04/81/21/286048121.db2.gz DILKSJGHFMCZBU-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784704 413226725 /nfs/dbraw/zinc/22/67/25/413226725.db2.gz FYZXNMNBGTXYDT-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP CCCN1CCC[C@@H]1C[NH2+]CC1(SC)CCC1 ZINC000356290388 155210424 /nfs/dbraw/zinc/21/04/24/155210424.db2.gz BIGRBSFRXNAMNM-CYBMUJFWSA-N 2 0 256.459 2.736 20 0 CFADRP CC(C)(C)[N@@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663470774 413227902 /nfs/dbraw/zinc/22/79/02/413227902.db2.gz IVQJOYWQAYSZEF-UHFFFAOYSA-N 2 0 272.396 2.874 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663469927 413228245 /nfs/dbraw/zinc/22/82/45/413228245.db2.gz RSAAXPDKHUGDNC-BRWVUGGUSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1nccs1 ZINC000663468256 413228424 /nfs/dbraw/zinc/22/84/24/413228424.db2.gz KZTOBSULTGOMNN-OCCSQVGLSA-N 2 0 279.453 2.916 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663469930 413230444 /nfs/dbraw/zinc/23/04/44/413230444.db2.gz RSAAXPDKHUGDNC-IXDOHACOSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(C3CCC3)CC2)CC[NH2+]1 ZINC000656787582 413229534 /nfs/dbraw/zinc/22/95/34/413229534.db2.gz NWKOBSHVWQUDIO-UONOGXRCSA-N 2 0 250.430 2.887 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663469929 413231617 /nfs/dbraw/zinc/23/16/17/413231617.db2.gz RSAAXPDKHUGDNC-GVDBMIGSSA-N 2 0 294.483 2.902 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471104 413233981 /nfs/dbraw/zinc/23/39/81/413233981.db2.gz WPMGDMVZOMXIEZ-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000656791733 413234399 /nfs/dbraw/zinc/23/43/99/413234399.db2.gz JGORJLPPCMSPSM-YJBOKZPZSA-N 2 0 288.435 2.658 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CC1([NH3+])CCCC1 ZINC000656789721 413234428 /nfs/dbraw/zinc/23/44/28/413234428.db2.gz WJXVHEIFXNVQNL-CYBMUJFWSA-N 2 0 286.423 2.745 20 0 CFADRP c1ccc([C@H]2CCCC[C@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000415071282 296619128 /nfs/dbraw/zinc/61/91/28/296619128.db2.gz ZBHHVDUMFFPAHK-NNPSNHGLSA-N 2 0 270.420 2.910 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000356347865 155234821 /nfs/dbraw/zinc/23/48/21/155234821.db2.gz ZYWYRFUHYHSIHL-LVQVYYBASA-N 2 0 268.445 2.702 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)C[NH+]3CCCCC3)C[C@H]2C1 ZINC000424272052 286113520 /nfs/dbraw/zinc/11/35/20/286113520.db2.gz SXLKVQNLCDAHMB-SFFUCWETSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[NH+](CCN(C)CC[NH+]1CCCCC1)C(C)C ZINC000356394360 155252797 /nfs/dbraw/zinc/25/27/97/155252797.db2.gz SICPTKPQIHNJSG-UHFFFAOYSA-N 2 0 269.477 2.523 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663497660 413240746 /nfs/dbraw/zinc/24/07/46/413240746.db2.gz DTGUVCRKNGYWFG-PMGBHYCQSA-N 2 0 262.397 2.671 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccccc1OC(F)F ZINC000663497770 413242386 /nfs/dbraw/zinc/24/23/86/413242386.db2.gz GEWBKLYKWXLLMY-GFCCVEGCSA-N 2 0 272.339 2.751 20 0 CFADRP C[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420321407 413245376 /nfs/dbraw/zinc/24/53/76/413245376.db2.gz REJKAOHKRIINQL-CVEARBPZSA-N 2 0 287.451 2.717 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000663500144 413245535 /nfs/dbraw/zinc/24/55/35/413245535.db2.gz PKKSTSVQDYJYRA-CGTJXYLNSA-N 2 0 295.515 2.993 20 0 CFADRP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499062 413246710 /nfs/dbraw/zinc/24/67/10/413246710.db2.gz WBKVOJAKWNDRIM-HHBUMJEXSA-N 2 0 274.383 2.803 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C1CCCC1 ZINC000166046614 286198343 /nfs/dbraw/zinc/19/83/43/286198343.db2.gz BUOPWRHWBAJKCY-ZFWWWQNUSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000346562560 286198818 /nfs/dbraw/zinc/19/88/18/286198818.db2.gz QDJCFXMPFXOLKV-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422807516 286200412 /nfs/dbraw/zinc/20/04/12/286200412.db2.gz JWQNIZOQJVDXHX-ILXRZTDVSA-N 2 0 256.434 2.558 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502352 413250553 /nfs/dbraw/zinc/25/05/53/413250553.db2.gz HBKKXQWNJMPQCE-HUUCEWRRSA-N 2 0 291.439 2.675 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000663503333 413251329 /nfs/dbraw/zinc/25/13/29/413251329.db2.gz OXTNEMOVNOOMHI-QGZVFWFLSA-N 2 0 276.424 2.938 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000247961877 292246669 /nfs/dbraw/zinc/24/66/69/292246669.db2.gz GIBYROAHFPGCSV-GJZGRUSLSA-N 2 0 296.480 2.944 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC[NH2+]CC1 ZINC000423413500 292247306 /nfs/dbraw/zinc/24/73/06/292247306.db2.gz ZEVYQUCOUVOEPV-HZPDHXFCSA-N 2 0 282.472 2.807 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1(CC)CC ZINC000423249607 286282458 /nfs/dbraw/zinc/28/24/58/286282458.db2.gz OZSWUGBCHSINJQ-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000423221400 286285481 /nfs/dbraw/zinc/28/54/81/286285481.db2.gz ZTJYDRRYHNGPEK-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834084 286288231 /nfs/dbraw/zinc/28/82/31/286288231.db2.gz HKBIZEHMNMDFIA-GBJTYRQASA-N 2 0 268.445 2.700 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348107858 289309749 /nfs/dbraw/zinc/30/97/49/289309749.db2.gz JDTIZQCZSQUNNG-RVMXOQNASA-N 2 0 294.361 2.559 20 0 CFADRP COCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423184206 292265557 /nfs/dbraw/zinc/26/55/57/292265557.db2.gz NFPCVERDAFARDJ-IRKLFDGPSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335484329 292268071 /nfs/dbraw/zinc/26/80/71/292268071.db2.gz UUZJBGMHTYYKGV-SJORKVTESA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000653279841 413271009 /nfs/dbraw/zinc/27/10/09/413271009.db2.gz AKQFRFVTFBCXDS-HIFRSBDPSA-N 2 0 298.390 2.581 20 0 CFADRP Fc1cc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(F)c1F ZINC000356828956 155383081 /nfs/dbraw/zinc/38/30/81/155383081.db2.gz CORLVENMMAKZRF-STQMWFEESA-N 2 0 298.352 2.863 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353966 286371174 /nfs/dbraw/zinc/37/11/74/286371174.db2.gz CIMYCHREHPXSJC-IIAWOOMASA-N 2 0 276.424 2.919 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCCCC(=O)OC(C)(C)C)CC1 ZINC000356844121 155390509 /nfs/dbraw/zinc/39/05/09/155390509.db2.gz MFLIMVVKPRCELH-UHFFFAOYSA-N 2 0 298.471 2.962 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346847564 286378339 /nfs/dbraw/zinc/37/83/39/286378339.db2.gz PKUSAVDGAUXDFV-WMLDXEAASA-N 2 0 274.408 2.832 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000227495554 286384318 /nfs/dbraw/zinc/38/43/18/286384318.db2.gz FVYOUSBRYGCDKP-LSDHHAIUSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(CC)CC ZINC000344306852 286384795 /nfs/dbraw/zinc/38/47/95/286384795.db2.gz YJAFATJOJFHLCI-JKSUJKDBSA-N 2 0 280.456 2.822 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C12CCCC2 ZINC000336818751 286390035 /nfs/dbraw/zinc/39/00/35/286390035.db2.gz WWTHNZLZJHKAEW-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1(CC)CC ZINC000423541036 286399215 /nfs/dbraw/zinc/39/92/15/286399215.db2.gz KMOSKHWVXZLPSC-BPKGMFCQSA-N 2 0 294.483 2.948 20 0 CFADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000343090512 154110638 /nfs/dbraw/zinc/11/06/38/154110638.db2.gz FGVSKRHOAINXPD-HIFRSBDPSA-N 2 0 264.438 2.709 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000343268523 154163280 /nfs/dbraw/zinc/16/32/80/154163280.db2.gz FUZLNNUNDKUVTG-KSZLIROESA-N 2 0 295.515 2.673 20 0 CFADRP CC[C@@H](C[NH+]1CCCC1)Nc1[nH+]ccc2[nH]ccc21 ZINC000663617351 413291431 /nfs/dbraw/zinc/29/14/31/413291431.db2.gz JWCCXQRWPMQQID-LBPRGKRZSA-N 2 0 258.369 2.849 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000348050198 154298754 /nfs/dbraw/zinc/29/87/54/154298754.db2.gz WJIOXIZOGADGPY-CYBMUJFWSA-N 2 0 256.459 2.592 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000348091926 154316100 /nfs/dbraw/zinc/31/61/00/154316100.db2.gz ZCVWZFBISWYGDL-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CSC1(C[NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000348097141 154319212 /nfs/dbraw/zinc/31/92/12/154319212.db2.gz ONOWKXZMAPQJQC-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348227421 154370506 /nfs/dbraw/zinc/37/05/06/154370506.db2.gz DJINPUWSLZJZEX-LISAXSMJSA-N 2 0 290.451 2.646 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCCC1 ZINC000422889929 292309041 /nfs/dbraw/zinc/30/90/41/292309041.db2.gz QWPQSEAIKZEMPB-CABCVRRESA-N 2 0 268.445 2.561 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000247236780 292308258 /nfs/dbraw/zinc/30/82/58/292308258.db2.gz XHFZBPVYBMNMFF-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422814358 286446641 /nfs/dbraw/zinc/44/66/41/286446641.db2.gz UMIXPYRGBGVVRD-SOUVJXGZSA-N 2 0 256.434 2.545 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000355749016 155075293 /nfs/dbraw/zinc/07/52/93/155075293.db2.gz XYJSJKKHGADICU-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP COCC[N@@H+](CCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000359187021 156017305 /nfs/dbraw/zinc/01/73/05/156017305.db2.gz HRZHEOXLMZYLSL-UHFFFAOYSA-N 2 0 290.451 2.567 20 0 CFADRP c1cc([C@@H]2CN(CCC3CC[NH2+]CC3)CCO2)cs1 ZINC000359191012 156019108 /nfs/dbraw/zinc/01/91/08/156019108.db2.gz NWXIRKPHJALFQV-HNNXBMFYSA-N 2 0 280.437 2.511 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423242042 292336259 /nfs/dbraw/zinc/33/62/59/292336259.db2.gz DWGJLVXXZAWOEG-HOCLYGCPSA-N 2 0 274.408 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000364783106 156224401 /nfs/dbraw/zinc/22/44/01/156224401.db2.gz BVQPIVRJBACIBS-DLBZAZTESA-N 2 0 280.456 2.752 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000367081768 156279972 /nfs/dbraw/zinc/27/99/72/156279972.db2.gz VACBVCXCZANLDN-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP c1coc(C2=CCC[N@@H+](CCCn3ccnc3)C2)c1 ZINC000367132912 156286316 /nfs/dbraw/zinc/28/63/16/156286316.db2.gz HOGVGZVMHVNKSE-UHFFFAOYSA-N 2 0 257.337 2.656 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000367599616 156357846 /nfs/dbraw/zinc/35/78/46/156357846.db2.gz XCDKJJRDKHZXFE-ZACQAIPSSA-N 2 0 281.488 2.568 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367603305 156360155 /nfs/dbraw/zinc/36/01/55/156360155.db2.gz YZPRIKJSKZETSC-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367614657 156362182 /nfs/dbraw/zinc/36/21/82/156362182.db2.gz IRISDZNUUPWHML-JYJNAYRXSA-N 2 0 262.372 2.788 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000374526440 157125361 /nfs/dbraw/zinc/12/53/61/157125361.db2.gz IJVWQIUPEHOXCG-LISAXSMJSA-N 2 0 290.451 2.910 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000374613285 157138110 /nfs/dbraw/zinc/13/81/10/157138110.db2.gz OHEXDHBNPDYRJA-DOTOQJQBSA-N 2 0 292.398 2.763 20 0 CFADRP C[N@H+](CC1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374841605 157164152 /nfs/dbraw/zinc/16/41/52/157164152.db2.gz ZFRUSQVINVEVFF-UHFFFAOYSA-N 2 0 259.397 2.640 20 0 CFADRP C[C@H](CCCO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374894288 157170402 /nfs/dbraw/zinc/17/04/02/157170402.db2.gz MZBYBBGDMYOCCQ-SOLBZPMBSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC3CCOCC3)CC[C@@H]21 ZINC000375067779 157190998 /nfs/dbraw/zinc/19/09/98/157190998.db2.gz DQIOQGXDRYUGML-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[C@](C)(O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375447502 157243248 /nfs/dbraw/zinc/24/32/48/157243248.db2.gz HYKQDSHVSIOFFH-KURKYZTESA-N 2 0 290.451 2.820 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)C1CCC1 ZINC000651190009 413345356 /nfs/dbraw/zinc/34/53/56/413345356.db2.gz JMJFDUXIFIBNFV-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP O[C@H](CC[NH+]1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000375709149 157274054 /nfs/dbraw/zinc/27/40/54/157274054.db2.gz BNGMMWHQCRPCMJ-QGZVFWFLSA-N 2 0 285.391 2.713 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375782645 157284742 /nfs/dbraw/zinc/28/47/42/157284742.db2.gz MPIIEGZXLSREFM-BBWFWOEESA-N 2 0 288.435 2.700 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375782646 157284784 /nfs/dbraw/zinc/28/47/84/157284784.db2.gz MPIIEGZXLSREFM-BRWVUGGUSA-N 2 0 288.435 2.700 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375837902 157292600 /nfs/dbraw/zinc/29/26/00/157292600.db2.gz DNVDMXLZULCWIH-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376204338 157334266 /nfs/dbraw/zinc/33/42/66/157334266.db2.gz ZKNAOOBODVDGCZ-SJLPKXTDSA-N 2 0 293.499 2.525 20 0 CFADRP CC[C@](C)(O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000376401730 157350768 /nfs/dbraw/zinc/35/07/68/157350768.db2.gz QNHZNUIGHANGKR-KRWDZBQOSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C1CCCCC1 ZINC000660489539 413351473 /nfs/dbraw/zinc/35/14/73/413351473.db2.gz YARNLTUOWNVJJY-GDBMZVCRSA-N 2 0 270.461 2.588 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422796218 533676904 /nfs/dbraw/zinc/67/69/04/533676904.db2.gz XUNDJTJSFJONRG-JKIFEVAISA-N 2 0 292.423 2.570 20 0 CFADRP CSC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000367299514 286649249 /nfs/dbraw/zinc/64/92/49/286649249.db2.gz IPZCRWAKAJBOBV-UHFFFAOYSA-N 2 0 268.470 2.690 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423524668 292377587 /nfs/dbraw/zinc/37/75/87/292377587.db2.gz JSIPUKXHNSAOOY-XXXXFFMBSA-N 2 0 280.456 2.545 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422761618 286696166 /nfs/dbraw/zinc/69/61/66/286696166.db2.gz MYSNYSWHUNXKCC-CRWXNKLISA-N 2 0 256.459 2.910 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(C)(C)C3CC3)CC2)C1 ZINC000653580326 413381712 /nfs/dbraw/zinc/38/17/12/413381712.db2.gz JTMGFATWWIBLIJ-KRWDZBQOSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423300718 289538944 /nfs/dbraw/zinc/53/89/44/289538944.db2.gz FAVBMRVITMBKEG-RNCFNFMXSA-N 2 0 283.213 2.621 20 0 CFADRP Clc1ccccc1CCC[N@@H+]1CCn2cncc2C1 ZINC000660582319 413411620 /nfs/dbraw/zinc/41/16/20/413411620.db2.gz RETAABDXMRMXFK-UHFFFAOYSA-N 2 0 275.783 2.985 20 0 CFADRP Cc1cccc(CCC[N@@H+]2CCn3cncc3C2)c1 ZINC000660581953 413411858 /nfs/dbraw/zinc/41/18/58/413411858.db2.gz LADNZKIXJAOWLV-UHFFFAOYSA-N 2 0 255.365 2.640 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CO1 ZINC000657297021 413413532 /nfs/dbraw/zinc/41/35/32/413413532.db2.gz ZIEXSNBTOOKIFH-IAGOWNOFSA-N 2 0 276.424 2.666 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000657300804 413418501 /nfs/dbraw/zinc/41/85/01/413418501.db2.gz USXHESKWGMESNT-ROUUACIJSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414810610 298378687 /nfs/dbraw/zinc/37/86/87/298378687.db2.gz VKAURDWNKORQBU-OUAUKWLOSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C[NH+]1CCCCC1 ZINC000374331500 286878681 /nfs/dbraw/zinc/87/86/81/286878681.db2.gz YTPGYUMNNYWBFE-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000423455026 298399422 /nfs/dbraw/zinc/39/94/22/298399422.db2.gz MCZVDCLZMXXGKF-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000422778857 298399641 /nfs/dbraw/zinc/39/96/41/298399641.db2.gz HWPPKIZPBVSQNK-BMFZPTHFSA-N 2 0 262.397 2.624 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000657313479 413431315 /nfs/dbraw/zinc/43/13/15/413431315.db2.gz SFMKOQLYUQHUQN-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657316104 413436657 /nfs/dbraw/zinc/43/66/57/413436657.db2.gz XUTRAPGNPCXDHS-LBPRGKRZSA-N 2 0 275.421 2.728 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCSC1 ZINC000344085581 161936688 /nfs/dbraw/zinc/93/66/88/161936688.db2.gz HNAGKKMDZWUUER-CQSZACIVSA-N 2 0 288.420 2.561 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344299788 162000976 /nfs/dbraw/zinc/00/09/76/162000976.db2.gz FVDHMIJCBKHIDI-HZPDHXFCSA-N 2 0 280.456 2.678 20 0 CFADRP CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000344319884 162007993 /nfs/dbraw/zinc/00/79/93/162007993.db2.gz HUFIEWWTLKLPFZ-OAHLLOKOSA-N 2 0 259.397 2.774 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CN(C)C[C@H]2C)ccc1Br ZINC000344671404 162094450 /nfs/dbraw/zinc/09/44/50/162094450.db2.gz KXPQIBJPQKPSQK-RISCZKNCSA-N 2 0 297.240 2.797 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)ccc1Br ZINC000344671405 162094493 /nfs/dbraw/zinc/09/44/93/162094493.db2.gz KXPQIBJPQKPSQK-SMDDNHRTSA-N 2 0 297.240 2.797 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000344688660 162100653 /nfs/dbraw/zinc/10/06/53/162100653.db2.gz VMDLVEWSMMVAAX-PBHICJAKSA-N 2 0 298.434 2.957 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000344704244 162101687 /nfs/dbraw/zinc/10/16/87/162101687.db2.gz VLSOCEAIHSWMRS-BJJXKVORSA-N 2 0 280.387 2.523 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626750 413441651 /nfs/dbraw/zinc/44/16/51/413441651.db2.gz LJNOLLZMHLIBJP-HZPDHXFCSA-N 2 0 273.424 2.745 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000346187200 162346383 /nfs/dbraw/zinc/34/63/83/162346383.db2.gz LIGRDVYZFXWHBK-RDJZCZTQSA-N 2 0 285.435 2.961 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000346274489 162367887 /nfs/dbraw/zinc/36/78/87/162367887.db2.gz GLCKNJSHUXNQND-HUUCEWRRSA-N 2 0 289.423 2.513 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1F ZINC000346326242 162383181 /nfs/dbraw/zinc/38/31/81/162383181.db2.gz KFSNIEXLIGRDBB-OLZOCXBDSA-N 2 0 298.352 2.863 20 0 CFADRP C(C[C@H]1CCOC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000346368813 162395268 /nfs/dbraw/zinc/39/52/68/162395268.db2.gz MDBYECVBFVTJJA-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP COC1CC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000349684510 163003153 /nfs/dbraw/zinc/00/31/53/163003153.db2.gz KNGVBGNWSDXESH-WSDZMALLSA-N 2 0 288.435 2.807 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccncc2)CC1 ZINC000350147654 163062372 /nfs/dbraw/zinc/06/23/72/163062372.db2.gz PWSDTFMCHBRNQQ-UHFFFAOYSA-N 2 0 261.413 2.635 20 0 CFADRP CCCn1nc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000350147720 163062782 /nfs/dbraw/zinc/06/27/82/163062782.db2.gz QFHNBIVYKLLEHH-UHFFFAOYSA-N 2 0 292.471 2.684 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(Cl)c1 ZINC000350266028 163069395 /nfs/dbraw/zinc/06/93/95/163069395.db2.gz MCLYJODHMSZFNU-UHFFFAOYSA-N 2 0 284.831 2.788 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351230907 163122912 /nfs/dbraw/zinc/12/29/12/163122912.db2.gz USWZFAXUJCEFIC-KRWDZBQOSA-N 3 0 281.488 2.525 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000351332445 163125684 /nfs/dbraw/zinc/12/56/84/163125684.db2.gz SOBGSLGODOQOFO-QZTJIDSGSA-N 2 0 293.499 2.525 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)C1Cc2ccccc2C1 ZINC000351310067 163127085 /nfs/dbraw/zinc/12/70/85/163127085.db2.gz ZIVYWRUFTMXLEJ-UHFFFAOYSA-N 2 0 272.436 2.962 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](O)CN(C)C1CC1 ZINC000351445517 163128452 /nfs/dbraw/zinc/12/84/52/163128452.db2.gz QOVICUPZIKLUCU-ROUUACIJSA-N 2 0 290.451 2.915 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000351500160 163135808 /nfs/dbraw/zinc/13/58/08/163135808.db2.gz WSQCFFDOSIKSRN-OWYFMNJBSA-N 2 0 250.430 2.872 20 0 CFADRP CCOC1CC(C[NH+]2CCC(C[NH+](CC)CC)CC2)C1 ZINC000351848536 163203270 /nfs/dbraw/zinc/20/32/70/163203270.db2.gz BQHKWZSAIVROLN-UHFFFAOYSA-N 2 0 282.472 2.855 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc2)n1 ZINC000351860700 163205270 /nfs/dbraw/zinc/20/52/70/163205270.db2.gz HZXGTQHOYJJBGP-DOTOQJQBSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000351857160 163206306 /nfs/dbraw/zinc/20/63/06/163206306.db2.gz WTIZLZCDUOUIQY-HOCLYGCPSA-N 2 0 284.403 2.888 20 0 CFADRP C[NH+](C)CC1CCC([NH2+]Cc2c(F)ccc(O)c2F)CC1 ZINC000352696774 163225726 /nfs/dbraw/zinc/22/57/26/163225726.db2.gz QEQLEHCEVVKBQD-UHFFFAOYSA-N 2 0 298.377 2.880 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000352823832 163242727 /nfs/dbraw/zinc/24/27/27/163242727.db2.gz ORSVJBMRFKEJCI-DOTOQJQBSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000352840564 163249812 /nfs/dbraw/zinc/24/98/12/163249812.db2.gz NTXWRFCINJDBNW-WBVHZDCISA-N 2 0 280.456 2.681 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)s1 ZINC000353251031 163327937 /nfs/dbraw/zinc/32/79/37/163327937.db2.gz PVBIENIBZAPJEK-VIFPVBQESA-N 2 0 279.434 2.840 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC12CCCC2 ZINC000353275561 163335843 /nfs/dbraw/zinc/33/58/43/163335843.db2.gz UKQKOHMOCYHJNI-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP COc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000353451686 163367245 /nfs/dbraw/zinc/36/72/45/163367245.db2.gz WUFMISIQWLXGDG-UHFFFAOYSA-N 2 0 262.397 2.658 20 0 CFADRP CC[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000353484152 163374798 /nfs/dbraw/zinc/37/47/98/163374798.db2.gz YGKRXPPHUICVBT-HZPDHXFCSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000353493187 163378375 /nfs/dbraw/zinc/37/83/75/163378375.db2.gz VYJLUOMDBHGBLY-HNNXBMFYSA-N 2 0 283.504 2.959 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000660642232 413458150 /nfs/dbraw/zinc/45/81/50/413458150.db2.gz NTTMLNCFVXWUMP-ROUUACIJSA-N 2 0 294.483 2.999 20 0 CFADRP COCc1csc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000657334581 413459265 /nfs/dbraw/zinc/45/92/65/413459265.db2.gz DSQGPZCEPWYADE-ZDUSSCGKSA-N 2 0 282.453 2.714 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CO1 ZINC000657335257 413462744 /nfs/dbraw/zinc/46/27/44/413462744.db2.gz AWSUNKKEXSXKMN-SJORKVTESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@]1(C)CCCO1 ZINC000340280479 287013250 /nfs/dbraw/zinc/01/32/50/287013250.db2.gz SNCABTVKUUXUNL-CZUORRHYSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CC1(C)C ZINC000486944737 287013831 /nfs/dbraw/zinc/01/38/31/287013831.db2.gz ZCMHJYPUNJGQCL-IUODEOHRSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1COc2ccccc21 ZINC000185604009 287024136 /nfs/dbraw/zinc/02/41/36/287024136.db2.gz DUQPKDZYPOVSQT-ZBFHGGJFSA-N 2 0 274.408 2.627 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422874403 287021852 /nfs/dbraw/zinc/02/18/52/287021852.db2.gz CSUAEKMAQBPHIP-SJORKVTESA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccnn1C ZINC000447535192 287022547 /nfs/dbraw/zinc/02/25/47/287022547.db2.gz DJFFWJAUBHTPKH-LSDHHAIUSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@H](C[NH+]1CCCCCC1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423055704 298588375 /nfs/dbraw/zinc/58/83/75/298588375.db2.gz WHZYRMQINGJWSR-FHLIZLRMSA-N 2 0 287.451 2.985 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423153744 287028426 /nfs/dbraw/zinc/02/84/26/287028426.db2.gz GVLZNQDJQJEDOC-HSFUPAIVSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653727016 413467946 /nfs/dbraw/zinc/46/79/46/413467946.db2.gz MZKBZSVXUFNRCQ-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP CN(CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660658053 413471685 /nfs/dbraw/zinc/47/16/85/413471685.db2.gz VNSJCIWOXXXPNZ-SFHVURJKSA-N 2 0 287.451 2.541 20 0 CFADRP C[C@@H](c1cccnc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063198028 287153954 /nfs/dbraw/zinc/15/39/54/287153954.db2.gz CSMSLBMIZRKXJQ-XJKSGUPXSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000251138914 298783187 /nfs/dbraw/zinc/78/31/87/298783187.db2.gz VZFNARHWBBHASO-BRSBDYLESA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000423112709 287220952 /nfs/dbraw/zinc/22/09/52/287220952.db2.gz KAQWASGUKWKDAC-IXYNUQLISA-N 2 0 268.445 2.558 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1Cl ZINC000284372766 196041812 /nfs/dbraw/zinc/04/18/12/196041812.db2.gz OJPVIDIENPAQKK-NSHDSACASA-N 2 0 285.819 2.736 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000020128447 171015196 /nfs/dbraw/zinc/01/51/96/171015196.db2.gz RSVOJXOWTCQEDJ-QGZVFWFLSA-N 2 0 289.467 2.592 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000020128468 171015269 /nfs/dbraw/zinc/01/52/69/171015269.db2.gz PNZCAZLIPPEEKJ-AWEZNQCLSA-N 2 0 295.858 2.628 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000020128391 171015475 /nfs/dbraw/zinc/01/54/75/171015475.db2.gz JMSKFUSWRSTFQN-AWEZNQCLSA-N 2 0 295.858 2.628 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000020128457 171015645 /nfs/dbraw/zinc/01/56/45/171015645.db2.gz HETAJSVFGUTCDH-GOSISDBHSA-N 2 0 289.467 2.673 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000020129044 171016613 /nfs/dbraw/zinc/01/66/13/171016613.db2.gz CTEMQOSQSFJDNH-ZDUSSCGKSA-N 2 0 276.380 2.552 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]CCC[NH+]1CCCC1 ZINC000020129177 171017119 /nfs/dbraw/zinc/01/71/19/171017119.db2.gz NDMNEBOILRYMTO-UHFFFAOYSA-N 2 0 269.392 2.810 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000657345929 413478382 /nfs/dbraw/zinc/47/83/82/413478382.db2.gz AUUIPEYBHPNTFM-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP COCc1cccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659022 413480775 /nfs/dbraw/zinc/48/07/75/413480775.db2.gz JCYRJWSXVVWYDK-SFHVURJKSA-N 2 0 288.435 2.751 20 0 CFADRP COCc1csc(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000657348113 413482276 /nfs/dbraw/zinc/48/22/76/413482276.db2.gz KVPKUCQAXJUCBS-UHFFFAOYSA-N 2 0 282.453 2.716 20 0 CFADRP CO[C@@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)C1CC1 ZINC000660679557 413491187 /nfs/dbraw/zinc/49/11/87/413491187.db2.gz NLAYDLDKQNBGTQ-SFHVURJKSA-N 2 0 288.435 2.666 20 0 CFADRP CO[C@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)C1CC1 ZINC000660679556 413494106 /nfs/dbraw/zinc/49/41/06/413494106.db2.gz NLAYDLDKQNBGTQ-GOSISDBHSA-N 2 0 288.435 2.666 20 0 CFADRP c1cc(C[NH2+]CCCC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657367181 413505314 /nfs/dbraw/zinc/50/53/14/413505314.db2.gz MIYREOWZFSBPHV-UHFFFAOYSA-N 2 0 256.353 2.547 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@H+](C)C(C)C ZINC000651672809 413554677 /nfs/dbraw/zinc/55/46/77/413554677.db2.gz LSHVUEFGFGTLKP-CQSZACIVSA-N 2 0 258.450 2.758 20 0 CFADRP CCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657396344 413551798 /nfs/dbraw/zinc/55/17/98/413551798.db2.gz RCWXFULITGUJII-UHFFFAOYSA-N 2 0 270.380 2.937 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651675229 413561610 /nfs/dbraw/zinc/56/16/10/413561610.db2.gz MXFRIWZNDYNSRQ-DLBZAZTESA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676943 413559243 /nfs/dbraw/zinc/55/92/43/413559243.db2.gz SFFBZGWQJVWUCE-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP CC[N@@H+]1CCCN(CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000660786938 413568324 /nfs/dbraw/zinc/56/83/24/413568324.db2.gz MOJLMSJNONDBFD-KRWDZBQOSA-N 2 0 289.467 2.535 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000035658070 172333145 /nfs/dbraw/zinc/33/31/45/172333145.db2.gz WCOSGVFOLOOABM-UHFFFAOYSA-N 2 0 258.409 2.616 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651708847 413582056 /nfs/dbraw/zinc/58/20/56/413582056.db2.gz CGEUKYAFTCDTDB-RYQLBKOJSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]CC2(C)COC2)c1 ZINC000285376331 196265534 /nfs/dbraw/zinc/26/55/34/196265534.db2.gz GKDOPMPBTQYLBS-UHFFFAOYSA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](COC)CC(C)(C)C)C1 ZINC000651692470 413574293 /nfs/dbraw/zinc/57/42/93/413574293.db2.gz GQAXULKMGDFARW-LSDHHAIUSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000657452770 413624072 /nfs/dbraw/zinc/62/40/72/413624072.db2.gz JPMTYQLFRPYGKN-FGTMMUONSA-N 2 0 288.435 2.666 20 0 CFADRP c1cc(C[NH2+]CC2=CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657477219 413660638 /nfs/dbraw/zinc/66/06/38/413660638.db2.gz JLGKRMHCUXZGCR-UHFFFAOYSA-N 2 0 268.364 2.857 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657439325 413608424 /nfs/dbraw/zinc/60/84/24/413608424.db2.gz BANAKZMQTRIJAF-LSDHHAIUSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@@H](O)CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857792 413616945 /nfs/dbraw/zinc/61/69/45/413616945.db2.gz WABZHUZEPORFTJ-CYBMUJFWSA-N 2 0 287.407 2.588 20 0 CFADRP C[C@H](O)CC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857793 413617810 /nfs/dbraw/zinc/61/78/10/413617810.db2.gz WABZHUZEPORFTJ-ZDUSSCGKSA-N 2 0 287.407 2.588 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000651865248 413688436 /nfs/dbraw/zinc/68/84/36/413688436.db2.gz RSHKUWDVWYZTPI-AWEZNQCLSA-N 2 0 252.402 2.778 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657534731 413716185 /nfs/dbraw/zinc/71/61/85/413716185.db2.gz CVDZLSLCEDZVRL-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)noc2c1 ZINC000657533282 413716682 /nfs/dbraw/zinc/71/66/82/413716682.db2.gz KAKZLQIOTWJNJW-ZIAGYGMSSA-N 2 0 285.391 2.587 20 0 CFADRP c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536878 413720252 /nfs/dbraw/zinc/72/02/52/413720252.db2.gz SBVJVFCFMURSJP-UHFFFAOYSA-N 2 0 288.435 2.667 20 0 CFADRP C1=CC[C@@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000657536474 413721607 /nfs/dbraw/zinc/72/16/07/413721607.db2.gz JWIVFBRAZZMEGE-MRXNPFEDSA-N 2 0 292.467 2.823 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657617632 413795618 /nfs/dbraw/zinc/79/56/18/413795618.db2.gz XDBCUXPKWPOMAI-KMANFZQXSA-N 2 0 270.420 2.931 20 0 CFADRP CC[C@@H](C)[NH+](CC)C[C@H](O)C[N@@H+](CC)[C@@H](C)CC ZINC000661107845 413756636 /nfs/dbraw/zinc/75/66/36/413756636.db2.gz NYTHMOXECWSGNX-FICVDOATSA-N 2 0 258.450 2.588 20 0 CFADRP Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000657573311 413763751 /nfs/dbraw/zinc/76/37/51/413763751.db2.gz ITKDRTRZKIQLGC-KRWDZBQOSA-N 2 0 291.483 2.665 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657595785 413778128 /nfs/dbraw/zinc/77/81/28/413778128.db2.gz SDMALRFJXMBTEU-ZTFGCOKTSA-N 2 0 288.435 2.531 20 0 CFADRP CC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCC1 ZINC000657596475 413778156 /nfs/dbraw/zinc/77/81/56/413778156.db2.gz NLALKIBTLPDKMY-QGZVFWFLSA-N 2 0 288.435 2.533 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000661230985 413831943 /nfs/dbraw/zinc/83/19/43/413831943.db2.gz GPGOQHJOYHFRDE-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000652150050 413832374 /nfs/dbraw/zinc/83/23/74/413832374.db2.gz KJOJHTVDCWDXHS-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422771687 298885653 /nfs/dbraw/zinc/88/56/53/298885653.db2.gz YFNWTLGJWXXTMU-WDEREUQCSA-N 2 0 263.360 2.565 20 0 CFADRP CC(C)OC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652337154 413897302 /nfs/dbraw/zinc/89/73/02/413897302.db2.gz OAEGCUDJPGOJRJ-UHFFFAOYSA-N 2 0 288.435 2.722 20 0 CFADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000652343523 413902653 /nfs/dbraw/zinc/90/26/53/413902653.db2.gz PSKCDVIZVNABOI-NEPJUHHUSA-N 2 0 280.416 2.664 20 0 CFADRP CCn1cc(C[N@H+](CCCC2CC[NH2+]CC2)C(C)C)cn1 ZINC000652358417 413904343 /nfs/dbraw/zinc/90/43/43/413904343.db2.gz BKVWPRWUONFVQN-UHFFFAOYSA-N 2 0 292.471 2.893 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2=CCCC2)cc1 ZINC000657749065 413906658 /nfs/dbraw/zinc/90/66/58/413906658.db2.gz ROKBNOFEEYFVHS-UHFFFAOYSA-N 2 0 274.408 2.827 20 0 CFADRP COc1cccc(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355782 413906744 /nfs/dbraw/zinc/90/67/44/413906744.db2.gz HTQCSZZAKZKRRR-PBHICJAKSA-N 2 0 292.423 2.523 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000652360024 413907861 /nfs/dbraw/zinc/90/78/61/413907861.db2.gz XXHVHBZOVHQAPT-UHFFFAOYSA-N 2 0 287.329 2.661 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657863743 414014400 /nfs/dbraw/zinc/01/44/00/414014400.db2.gz VKTCKSLRJNUPKL-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657871024 414015719 /nfs/dbraw/zinc/01/57/19/414015719.db2.gz IAUSOOJLVAYIQA-NSHDSACASA-N 2 0 262.388 2.988 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657870333 414016039 /nfs/dbraw/zinc/01/60/39/414016039.db2.gz CIDPVXIDYXAJLS-GFCCVEGCSA-N 2 0 273.380 2.820 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(C)COC2)C1 ZINC000336825459 287274831 /nfs/dbraw/zinc/27/48/31/287274831.db2.gz YRQKVRUUGPZMEY-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657871984 414017325 /nfs/dbraw/zinc/01/73/25/414017325.db2.gz LUBKANQKXSKHLS-HUUCEWRRSA-N 2 0 270.486 2.982 20 0 CFADRP COc1ccccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657811847 413958208 /nfs/dbraw/zinc/95/82/08/413958208.db2.gz IMTAICGJKCGHHU-UHFFFAOYSA-N 2 0 288.435 2.907 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812492 413963193 /nfs/dbraw/zinc/96/31/93/413963193.db2.gz DRACIZAUKCJIST-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657836788 413986234 /nfs/dbraw/zinc/98/62/34/413986234.db2.gz BMNGDDINXQDLDI-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000661441552 413986813 /nfs/dbraw/zinc/98/68/13/413986813.db2.gz IDQVGOQQRUTSGW-CRAIPNDOSA-N 2 0 299.418 2.855 20 0 CFADRP COC1([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000657884061 414029027 /nfs/dbraw/zinc/02/90/27/414029027.db2.gz JCCJNFCJDZUPPI-CYBMUJFWSA-N 2 0 294.414 2.935 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1COC2(CCC2)C1)C(C)C ZINC000657898295 414037329 /nfs/dbraw/zinc/03/73/29/414037329.db2.gz BVYKYMZXEZXLHP-HNNXBMFYSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000037408235 173185468 /nfs/dbraw/zinc/18/54/68/173185468.db2.gz IOPNEISHPWDNOS-OAHLLOKOSA-N 2 0 258.409 2.877 20 0 CFADRP C[C@H]([NH2+][C@H]1COC2(CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969986 414080685 /nfs/dbraw/zinc/08/06/85/414080685.db2.gz XKFTYKQBKMPKTH-ARFHVFGLSA-N 2 0 292.467 2.941 20 0 CFADRP CCC(CC)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070436 414153891 /nfs/dbraw/zinc/15/38/91/414153891.db2.gz VOSFKVFOESFFDT-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069497 414154709 /nfs/dbraw/zinc/15/47/09/414154709.db2.gz FVYWNRSHURHUHL-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC000658070116 414154741 /nfs/dbraw/zinc/15/47/41/414154741.db2.gz VADXVXSJEUSDMC-KRWDZBQOSA-N 2 0 282.472 2.902 20 0 CFADRP COc1cccc(OC)c1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658123155 414220703 /nfs/dbraw/zinc/22/07/03/414220703.db2.gz ZFJFSTSKKTZKFF-ZDUSSCGKSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H]([NH2+]CCc1cn(C)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000665265053 414222026 /nfs/dbraw/zinc/22/20/26/414222026.db2.gz OKWBHUZKFQHQJE-PBHICJAKSA-N 2 0 285.435 2.841 20 0 CFADRP COCc1csc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000665263931 414222944 /nfs/dbraw/zinc/22/29/44/414222944.db2.gz YHTQDPQYRICBPW-OCCSQVGLSA-N 2 0 268.426 2.502 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccnc3ccccc23)CC1 ZINC000658129053 414225718 /nfs/dbraw/zinc/22/57/18/414225718.db2.gz ZKVDLYNDLOUWGY-UHFFFAOYSA-N 2 0 283.419 2.851 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665272856 414229526 /nfs/dbraw/zinc/22/95/26/414229526.db2.gz MLZVNBIEQCHNMM-BMGDILEWSA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC(F)CC1 ZINC000665273924 414230053 /nfs/dbraw/zinc/23/00/53/414230053.db2.gz GRWJTOGEVGZPIV-JMDIOJQTSA-N 2 0 268.420 2.881 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273958 414230154 /nfs/dbraw/zinc/23/01/54/414230154.db2.gz GVXJKGMQYSLWIK-IGJPJIBNSA-N 2 0 258.356 2.671 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C/C=C\CO)CC1 ZINC000658141083 414231334 /nfs/dbraw/zinc/23/13/34/414231334.db2.gz WEPCBNVDFKXUMO-SREVYHEPSA-N 2 0 282.472 2.804 20 0 CFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000665274596 414231718 /nfs/dbraw/zinc/23/17/18/414231718.db2.gz UHDFJRYJMAXAEP-DUQPFJRNSA-N 2 0 270.420 2.910 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658143448 414231755 /nfs/dbraw/zinc/23/17/55/414231755.db2.gz YGOXVXGDFPDDIR-RDTXWAMCSA-N 2 0 288.435 2.531 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000665277919 414238101 /nfs/dbraw/zinc/23/81/01/414238101.db2.gz PISBIZPAZRSWLG-NXYGQSRBSA-N 2 0 270.420 2.658 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000658090486 414182640 /nfs/dbraw/zinc/18/26/40/414182640.db2.gz KNWOAXVJJLZRDU-CJNGLKHVSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000665234914 414191569 /nfs/dbraw/zinc/19/15/69/414191569.db2.gz MGSMCKPDNYOMLQ-DAXOMENPSA-N 2 0 264.388 2.877 20 0 CFADRP Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000665232127 414191696 /nfs/dbraw/zinc/19/16/96/414191696.db2.gz GRQLPYOTZULUJD-BRWVUGGUSA-N 2 0 273.424 2.669 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658096820 414193892 /nfs/dbraw/zinc/19/38/92/414193892.db2.gz ZWPKPPYMNHVRCI-NJAFHUGGSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000665235435 414194374 /nfs/dbraw/zinc/19/43/74/414194374.db2.gz VXGSDDXOLMGLFL-ZENOOKHLSA-N 2 0 264.388 2.795 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665238134 414196138 /nfs/dbraw/zinc/19/61/38/414196138.db2.gz RGQCZMNXYJBSIS-AAEUAGOBSA-N 2 0 296.377 2.984 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665238507 414196311 /nfs/dbraw/zinc/19/63/11/414196311.db2.gz ZUJYCRFXAOQKBT-NHCYSSNCSA-N 2 0 282.350 2.592 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665238891 414196330 /nfs/dbraw/zinc/19/63/30/414196330.db2.gz GZMKZLNWWGNGAY-LZWOXQAQSA-N 2 0 270.461 2.792 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665238135 414196578 /nfs/dbraw/zinc/19/65/78/414196578.db2.gz RGQCZMNXYJBSIS-DGCLKSJQSA-N 2 0 296.377 2.984 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccnc3ccccc23)C1 ZINC000665239274 414197012 /nfs/dbraw/zinc/19/70/12/414197012.db2.gz PTDLVYIDMLYRCV-LSDHHAIUSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237864 414198468 /nfs/dbraw/zinc/19/84/68/414198468.db2.gz LIDHXRYGLLCMCV-SWLSCSKDSA-N 2 0 258.365 2.911 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCCC1 ZINC000665246264 414205290 /nfs/dbraw/zinc/20/52/90/414205290.db2.gz AJTKMOIATBPQBV-ZBFHGGJFSA-N 2 0 273.424 2.969 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)o1 ZINC000658105639 414207737 /nfs/dbraw/zinc/20/77/37/414207737.db2.gz BNLZTDMPICTCIE-GJZGRUSLSA-N 2 0 295.471 2.765 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000665249702 414209905 /nfs/dbraw/zinc/20/99/05/414209905.db2.gz WWDNKRWJXQYNNP-CQSZACIVSA-N 2 0 284.407 2.794 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC(C)(C)F ZINC000665262365 414217845 /nfs/dbraw/zinc/21/78/45/414217845.db2.gz ZMSHGHCEOJYTRU-TZMCWYRMSA-N 2 0 252.377 2.673 20 0 CFADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C1CCC(F)(F)CC1 ZINC000665279798 414242042 /nfs/dbraw/zinc/24/20/42/414242042.db2.gz MOHXGWLZQRLLIH-ZBOXLXRLSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C1CCCCC1 ZINC000665282817 414246524 /nfs/dbraw/zinc/24/65/24/414246524.db2.gz CHOYRMGEEPRCFG-DARAHFNDSA-N 2 0 268.445 2.545 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000665283277 414247726 /nfs/dbraw/zinc/24/77/26/414247726.db2.gz KNVSZNMYTPLWIF-BZUAXINKSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1(CO)CC1 ZINC000658162350 414248740 /nfs/dbraw/zinc/24/87/40/414248740.db2.gz WOQCCAAGQODNJZ-BFYDXBDKSA-N 2 0 294.483 2.780 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)C1 ZINC000665283091 414249304 /nfs/dbraw/zinc/24/93/04/414249304.db2.gz HLXORHCUMPOMRX-NWDGAFQWSA-N 2 0 288.313 2.787 20 0 CFADRP COc1cccc(C2([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CCC2)c1 ZINC000665283233 414249322 /nfs/dbraw/zinc/24/93/22/414249322.db2.gz JRDVBNUHSPIEAM-CABCVRRESA-N 2 0 274.408 2.934 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000665281657 414250073 /nfs/dbraw/zinc/25/00/73/414250073.db2.gz JHYYTOOKRPQFCH-HUUCEWRRSA-N 2 0 262.397 2.733 20 0 CFADRP COc1cccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000665283920 414253659 /nfs/dbraw/zinc/25/36/59/414253659.db2.gz XDMVWWGHGNPFPY-XYPWUTKMSA-N 2 0 286.419 2.947 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299320 414271785 /nfs/dbraw/zinc/27/17/85/414271785.db2.gz KFSNJCSWSOPKRU-ZBFHGGJFSA-N 2 0 298.434 2.967 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)O1 ZINC000658220250 414293063 /nfs/dbraw/zinc/29/30/63/414293063.db2.gz PEUWLWBYNNVLCU-UKRRQHHQSA-N 2 0 268.445 2.797 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658282948 414340072 /nfs/dbraw/zinc/34/00/72/414340072.db2.gz JDUUTJQUKAHQRS-LBPRGKRZSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000658284224 414340385 /nfs/dbraw/zinc/34/03/85/414340385.db2.gz OZVRZUHNHSICAD-GFCCVEGCSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655690655 414366468 /nfs/dbraw/zinc/36/64/68/414366468.db2.gz HMIVPSNZZNMZSV-HOTGVXAUSA-N 2 0 290.455 2.962 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000655694932 414368873 /nfs/dbraw/zinc/36/88/73/414368873.db2.gz MPKUZWYBRXAXGQ-DOMZBBRYSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H](C)SC1)C[NH+]1CCCC1 ZINC000655694259 414370640 /nfs/dbraw/zinc/37/06/40/414370640.db2.gz FVPWCSGPNMUEHE-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655703526 414376835 /nfs/dbraw/zinc/37/68/35/414376835.db2.gz ICKNFJIAPRWIHF-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000658329329 414379002 /nfs/dbraw/zinc/37/90/02/414379002.db2.gz LBEWKCREAZEIMB-XIRDDKMYSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C2CCC2)C1 ZINC000662041769 414379562 /nfs/dbraw/zinc/37/95/62/414379562.db2.gz CGOQNQDSYQDZAE-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000655755220 414412193 /nfs/dbraw/zinc/41/21/93/414412193.db2.gz SNLDOKTZFMCPAA-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP C[N@@H+]1CCC[C@@H](CCNc2ccnc(C(C)(C)C)n2)C1 ZINC000665738378 414429388 /nfs/dbraw/zinc/42/93/88/414429388.db2.gz XRBRUHUKQHWRCF-ZDUSSCGKSA-N 2 0 276.428 2.918 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000662149450 414431017 /nfs/dbraw/zinc/43/10/17/414431017.db2.gz PCBQNKDZOIAKLV-YJBOKZPZSA-N 2 0 294.483 2.734 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000662156502 414434154 /nfs/dbraw/zinc/43/41/54/414434154.db2.gz MNBTYVUVIJKZHV-NUJGCVRESA-N 2 0 294.483 2.734 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CC[C@H]1CCCCO1 ZINC000662178786 414445734 /nfs/dbraw/zinc/44/57/34/414445734.db2.gz XCDDUWOTGXZELH-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000655803949 414449515 /nfs/dbraw/zinc/44/95/15/414449515.db2.gz JMQZNVKXUIUASB-UUAJXVIYSA-N 2 0 280.456 2.512 20 0 CFADRP COc1ncc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655803649 414449760 /nfs/dbraw/zinc/44/97/60/414449760.db2.gz BHUYQOONZKAFHP-GMXVVIOVSA-N 2 0 297.830 2.734 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655804749 414449771 /nfs/dbraw/zinc/44/97/71/414449771.db2.gz AGVWQKFHSIVYQP-QKPAOTATSA-N 2 0 282.472 2.756 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803989 414449856 /nfs/dbraw/zinc/44/98/56/414449856.db2.gz LLVSRFDCQXGHQJ-SDDRHHMPSA-N 2 0 268.426 2.748 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C12CCCC2 ZINC000655806066 414451000 /nfs/dbraw/zinc/45/10/00/414451000.db2.gz YNMRFNLLRAVBMG-XUWVNRHRSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805195 414451746 /nfs/dbraw/zinc/45/17/46/414451746.db2.gz KMFHYUQSJXBXDE-KCQAQPDRSA-N 2 0 264.388 2.687 20 0 CFADRP COc1ccc2oc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cc2c1 ZINC000655826561 414462596 /nfs/dbraw/zinc/46/25/96/414462596.db2.gz IQLUDFBGUIRETG-XBXGTLAGSA-N 2 0 288.391 2.871 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1F ZINC000655827340 414464203 /nfs/dbraw/zinc/46/42/03/414464203.db2.gz SUVLKLPUFUIQCW-OKILXGFUSA-N 2 0 250.361 2.564 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000655827764 414464856 /nfs/dbraw/zinc/46/48/56/414464856.db2.gz ZRSCPNFMKSJNIL-AKAXFMLLSA-N 2 0 285.391 2.771 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000655827744 414464884 /nfs/dbraw/zinc/46/48/84/414464884.db2.gz ZDNCXHPTVCXPBO-AKAXFMLLSA-N 2 0 269.392 2.665 20 0 CFADRP CO[C@@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)C1CCCCC1 ZINC000662233081 414465404 /nfs/dbraw/zinc/46/54/04/414465404.db2.gz ACQHKEZRBILZCR-KRWDZBQOSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000655832818 414465890 /nfs/dbraw/zinc/46/58/90/414465890.db2.gz AGGURZTVXSJKJS-ZJIFWQFVSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)c2nccn21 ZINC000658353103 414398141 /nfs/dbraw/zinc/39/81/41/414398141.db2.gz JYHSGISLNIUKJC-BBRMVZONSA-N 2 0 288.439 2.601 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000658354464 414399867 /nfs/dbraw/zinc/39/98/67/414399867.db2.gz CWHCWKRHOMNOGT-SJORKVTESA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCOC1 ZINC000658355095 414400422 /nfs/dbraw/zinc/40/04/22/414400422.db2.gz HFLMNCMELYJHIA-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)no1 ZINC000658354236 414400989 /nfs/dbraw/zinc/40/09/89/414400989.db2.gz YKQHTMPTJPNRLM-ZDUSSCGKSA-N 2 0 277.412 2.756 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000655848823 414475924 /nfs/dbraw/zinc/47/59/24/414475924.db2.gz LUTOFOJZUWTAOB-VQHPVUNQSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)C1CCOCC1 ZINC000655848750 414476508 /nfs/dbraw/zinc/47/65/08/414476508.db2.gz KAINVZQULBBMRY-ULQDDVLXSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250717 414476740 /nfs/dbraw/zinc/47/67/40/414476740.db2.gz MMGVDHBXFJHRLC-RDJZCZTQSA-N 2 0 286.419 2.653 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000655848821 414476760 /nfs/dbraw/zinc/47/67/60/414476760.db2.gz LUTOFOJZUWTAOB-QZWWFDLISA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)C1CCOCC1 ZINC000655848751 414476877 /nfs/dbraw/zinc/47/68/77/414476877.db2.gz KAINVZQULBBMRY-YESZJQIVSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249214 414477060 /nfs/dbraw/zinc/47/70/60/414477060.db2.gz JQIWJTIPXVCSPV-KRWDZBQOSA-N 2 0 288.435 2.763 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655848976 414477181 /nfs/dbraw/zinc/47/71/81/414477181.db2.gz NAEOWIVWZVDFQU-IAGOWNOFSA-N 2 0 293.499 2.856 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000655849790 414479082 /nfs/dbraw/zinc/47/90/82/414479082.db2.gz QCFLCOQSZFXPKQ-LVQVYYBASA-N 2 0 266.429 2.551 20 0 CFADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000662256260 414479113 /nfs/dbraw/zinc/47/91/13/414479113.db2.gz HVGHWTJZWPRZBD-MRXNPFEDSA-N 2 0 292.467 2.944 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[NH+]1CCC2(CCCCC2)CC1 ZINC000662255163 414479831 /nfs/dbraw/zinc/47/98/31/414479831.db2.gz ATQYFRLTFUSYKB-HNNXBMFYSA-N 2 0 278.440 2.554 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264463 414481378 /nfs/dbraw/zinc/48/13/78/414481378.db2.gz DHGPWTOTXRAIBI-ZBFHGGJFSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662264175 414481415 /nfs/dbraw/zinc/48/14/15/414481415.db2.gz BPHCFMITJXFBMW-QWRGUYRKSA-N 2 0 286.391 2.726 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000662265225 414482109 /nfs/dbraw/zinc/48/21/09/414482109.db2.gz GQBBTUQWOSEJRX-BBWFWOEESA-N 2 0 258.409 2.979 20 0 CFADRP CC1(C)CCCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264462 414482654 /nfs/dbraw/zinc/48/26/54/414482654.db2.gz DHGPWTOTXRAIBI-HOCLYGCPSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1[NH3+] ZINC000662271245 414487665 /nfs/dbraw/zinc/48/76/65/414487665.db2.gz UQKRWJMGFDGIDF-GXTWGEPZSA-N 2 0 289.448 2.898 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1CC[NH3+])C1CCCCC1 ZINC000662271854 414488936 /nfs/dbraw/zinc/48/89/36/414488936.db2.gz AQLGUKAWARYPOZ-HZPDHXFCSA-N 2 0 268.445 2.785 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000662272389 414489092 /nfs/dbraw/zinc/48/90/92/414489092.db2.gz FQGMAFYCTLVHKZ-KZNAEPCWSA-N 2 0 294.483 2.903 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662273459 414489134 /nfs/dbraw/zinc/48/91/34/414489134.db2.gz MSMCRSJRGWBXRE-MTSZKFMLSA-N 2 0 262.441 2.744 20 0 CFADRP CO[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000662273230 414489385 /nfs/dbraw/zinc/48/93/85/414489385.db2.gz KRAWNHDZBXGMSD-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP c1ccc(COCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000662272230 414489556 /nfs/dbraw/zinc/48/95/56/414489556.db2.gz CTFUGJAMGVEEDB-SFHVURJKSA-N 2 0 288.435 2.525 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275355 414490969 /nfs/dbraw/zinc/49/09/69/414490969.db2.gz BANIXAJGXGHGSF-KFWWJZLASA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCSc1ccc(F)cc1 ZINC000662277242 414492209 /nfs/dbraw/zinc/49/22/09/414492209.db2.gz NSTDSPRHIOFXSW-CQSZACIVSA-N 2 0 282.428 2.896 20 0 CFADRP C[N@H+](CCCc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC000655936707 414493983 /nfs/dbraw/zinc/49/39/83/414493983.db2.gz MEBXNSDLWOJBBD-UHFFFAOYSA-N 2 0 268.351 2.581 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000662283560 414494424 /nfs/dbraw/zinc/49/44/24/414494424.db2.gz AJTKTGHKGNWITR-HNNXBMFYSA-N 2 0 282.472 2.903 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662282966 414494897 /nfs/dbraw/zinc/49/48/97/414494897.db2.gz FOODNXWAVCCPFB-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP Fc1cccc(F)c1CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000655937897 414495119 /nfs/dbraw/zinc/49/51/19/414495119.db2.gz HJHCYJHSYVQBHY-MRXNPFEDSA-N 2 0 280.362 2.583 20 0 CFADRP C[C@H]1CN(CCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000655938262 414495327 /nfs/dbraw/zinc/49/53/27/414495327.db2.gz QFYOLTQLUDFGBM-XHDPSFHLSA-N 2 0 268.351 2.567 20 0 CFADRP CC[C@H](C)[N@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000662290277 414496789 /nfs/dbraw/zinc/49/67/89/414496789.db2.gz OPKPPCOMWDITSV-DZGCQCFKSA-N 2 0 264.413 2.858 20 0 CFADRP FCCCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291373 414498163 /nfs/dbraw/zinc/49/81/63/414498163.db2.gz FYNMRNVZCLQVAB-HNNXBMFYSA-N 2 0 256.409 2.838 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CCC1 ZINC000662295712 414498449 /nfs/dbraw/zinc/49/84/49/414498449.db2.gz WOQSCVRAOGKOKB-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000662299072 414498568 /nfs/dbraw/zinc/49/85/68/414498568.db2.gz JUOOHIILHVNWGN-HNNXBMFYSA-N 2 0 278.440 2.554 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296051 414499004 /nfs/dbraw/zinc/49/90/04/414499004.db2.gz XPLVYSPSZIZMBD-MXASKKJJSA-N 2 0 262.441 2.744 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295262 414499289 /nfs/dbraw/zinc/49/92/89/414499289.db2.gz UTIUKDNLPOZBOF-PBHICJAKSA-N 2 0 273.424 2.854 20 0 CFADRP CC(C)([NH3+])c1noc(C[NH2+][C@@H]2CCCC23CCCCC3)n1 ZINC000662295517 414499719 /nfs/dbraw/zinc/49/97/19/414499719.db2.gz MHXMGODAGWKTHZ-GFCCVEGCSA-N 2 0 292.427 2.856 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000662301937 414501211 /nfs/dbraw/zinc/50/12/11/414501211.db2.gz IOVFBXJZQHERQW-WFASDCNBSA-N 2 0 250.361 2.722 20 0 CFADRP Cc1ncccc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315256 414505201 /nfs/dbraw/zinc/50/52/01/414505201.db2.gz GWNVDYVQCCLDQD-CZUORRHYSA-N 2 0 261.413 2.729 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325950 414506582 /nfs/dbraw/zinc/50/65/82/414506582.db2.gz MAOKGIIJCZGLEM-ZIAGYGMSSA-N 2 0 292.414 2.710 20 0 CFADRP CC(C)C[C@@H](C)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324558 414507218 /nfs/dbraw/zinc/50/72/18/414507218.db2.gz XYZKAZMPVQCOSP-CVEARBPZSA-N 2 0 270.461 2.711 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322127 414507453 /nfs/dbraw/zinc/50/74/53/414507453.db2.gz UKJRQHWMVGNWME-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2CCCC2)CCO1 ZINC000662322697 414507630 /nfs/dbraw/zinc/50/76/30/414507630.db2.gz WYVRHRWXTJTRFP-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000662325853 414508001 /nfs/dbraw/zinc/50/80/01/414508001.db2.gz RFVVNZQBZLKGMQ-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000656192964 414529888 /nfs/dbraw/zinc/52/98/88/414529888.db2.gz AFTWZPRPRFVOAD-KBPBESRZSA-N 2 0 252.789 2.742 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000656196762 414531622 /nfs/dbraw/zinc/53/16/22/414531622.db2.gz FDKXOJJXXAYAEL-TWMKSMIVSA-N 2 0 292.398 2.905 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000656201853 414533774 /nfs/dbraw/zinc/53/37/74/414533774.db2.gz SZRGVLAFACOXEJ-AAEUAGOBSA-N 2 0 278.387 2.544 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000656201210 414533876 /nfs/dbraw/zinc/53/38/76/414533876.db2.gz KQZGTGSGHGWXTH-CHWSQXEVSA-N 2 0 284.407 2.526 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662681743 414591444 /nfs/dbraw/zinc/59/14/44/414591444.db2.gz DEUKITXRNHWIPM-UHFFFAOYSA-N 2 0 295.386 2.604 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC2CCC2)CC1 ZINC000659862190 414595270 /nfs/dbraw/zinc/59/52/70/414595270.db2.gz BSEHQDPXHKYXQI-CALCHBBNSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCC1CCCCC1 ZINC000659868006 414599233 /nfs/dbraw/zinc/59/92/33/414599233.db2.gz LWGDVWLGAPKLAL-MRXNPFEDSA-N 2 0 270.461 2.590 20 0 CFADRP CO[C@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CCC1 ZINC000659877146 414602821 /nfs/dbraw/zinc/60/28/21/414602821.db2.gz QQQZKXCTAAMFJE-QGZVFWFLSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(C[C@@H]2[NH2+]Cc3ccccc32)n1 ZINC000656560432 414607144 /nfs/dbraw/zinc/60/71/44/414607144.db2.gz XSEBSKJVVGYBAT-KBPBESRZSA-N 2 0 286.379 2.503 20 0 CFADRP CO[C@@H](C[N@H+](C)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000659919031 414614999 /nfs/dbraw/zinc/61/49/99/414614999.db2.gz GYLUKKTZMBPENI-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659920781 414615225 /nfs/dbraw/zinc/61/52/25/414615225.db2.gz QEGJMGYXFGPUGV-OAGGEKHMSA-N 2 0 250.430 2.696 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCC1 ZINC000659974449 414639012 /nfs/dbraw/zinc/63/90/12/414639012.db2.gz MGAHCBSWFZWCJB-AEFFLSMTSA-N 2 0 294.483 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C ZINC000659983178 414639506 /nfs/dbraw/zinc/63/95/06/414639506.db2.gz GGPKHGNTVMLNPG-LJIZCISZSA-N 2 0 250.430 2.837 20 0 CFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660014356 414650282 /nfs/dbraw/zinc/65/02/82/414650282.db2.gz SWRSZMRFAOSKHZ-XHSDSOJGSA-N 2 0 270.461 2.588 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](OC)C2CCCCC2)C1 ZINC000659989427 414644303 /nfs/dbraw/zinc/64/43/03/414644303.db2.gz KXTXGAVJVDOSCR-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000305148372 287289362 /nfs/dbraw/zinc/28/93/62/287289362.db2.gz SOEBUIDHTMVUMV-BGTYHANMSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)=CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000660106708 414662438 /nfs/dbraw/zinc/66/24/38/414662438.db2.gz IIHXRYDGOSTDNR-UHFFFAOYSA-N 2 0 293.499 2.833 20 0 CFADRP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660011387 414651020 /nfs/dbraw/zinc/65/10/20/414651020.db2.gz HKKMMPKRWNOBEE-JKSUJKDBSA-N 2 0 270.461 2.588 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CCCCCCC1)N1CC[NH+](C)CC1 ZINC000040435607 174261524 /nfs/dbraw/zinc/26/15/24/174261524.db2.gz ROARAPFEXNPKPW-GOSISDBHSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]1C[N@H+](CCCC2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152673 414671998 /nfs/dbraw/zinc/67/19/98/414671998.db2.gz BQOXSTFAYIFTKK-WMZOPIPTSA-N 2 0 293.499 2.525 20 0 CFADRP CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746477 174391734 /nfs/dbraw/zinc/39/17/34/174391734.db2.gz UGKDSSCRSXTLTE-XYPWUTKMSA-N 2 0 274.408 2.800 20 0 CFADRP CO[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C1CCCC1 ZINC000660166871 414674451 /nfs/dbraw/zinc/67/44/51/414674451.db2.gz HAKGMSQYIKQBIG-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000043458833 175050692 /nfs/dbraw/zinc/05/06/92/175050692.db2.gz ARCQGGYITIDZER-UHFFFAOYSA-N 2 0 254.324 2.526 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000043512059 175060413 /nfs/dbraw/zinc/06/04/13/175060413.db2.gz OFRDIPPUWQVNCX-UHFFFAOYSA-N 2 0 272.314 2.876 20 0 CFADRP CCCOc1ccc(OCC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044513966 175189227 /nfs/dbraw/zinc/18/92/27/175189227.db2.gz UDRGJHDJATZRTC-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(OC)c1 ZINC000044515521 175189927 /nfs/dbraw/zinc/18/99/27/175189927.db2.gz KYGOYNBBZIDHRU-CYBMUJFWSA-N 2 0 292.423 2.696 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000044515439 175190151 /nfs/dbraw/zinc/19/01/51/175190151.db2.gz VITQMOUOCICMDH-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044530602 175194988 /nfs/dbraw/zinc/19/49/88/175194988.db2.gz AYADPGRLFMOJFV-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000044530063 175195260 /nfs/dbraw/zinc/19/52/60/175195260.db2.gz CAWFSJPWVLLRFO-GFCCVEGCSA-N 2 0 273.355 2.545 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000044535803 175198522 /nfs/dbraw/zinc/19/85/22/175198522.db2.gz ZTMBHHJLCQFRKA-CYBMUJFWSA-N 2 0 297.240 2.881 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000070938674 176013564 /nfs/dbraw/zinc/01/35/64/176013564.db2.gz AHBGKNQYQUABCZ-UHFFFAOYSA-N 2 0 257.381 2.742 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000192925660 227384051 /nfs/dbraw/zinc/38/40/51/227384051.db2.gz ZQZMKRXSXKXQGQ-HOCLYGCPSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@@H]1CCC[C@@H](C)[NH+]1CC(O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000447349631 287389203 /nfs/dbraw/zinc/38/92/03/287389203.db2.gz XBPWQYWNXFYDML-KLHDSHLOSA-N 2 0 282.472 2.873 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCCCO)CC2)C1 ZINC000192930393 227390797 /nfs/dbraw/zinc/39/07/97/227390797.db2.gz ZZISSCSJGJUEAV-WBVHZDCISA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000400998744 420502650 /nfs/dbraw/zinc/50/26/50/420502650.db2.gz ALELSWLYRJLLHI-VNHYZAJKSA-N 2 0 250.430 2.790 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000397336643 270317146 /nfs/dbraw/zinc/31/71/46/270317146.db2.gz TYAWSGGLBUESLY-KWBADKCTSA-N 2 0 267.442 2.565 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000222022222 270255129 /nfs/dbraw/zinc/25/51/29/270255129.db2.gz CJEVHLFWXNBLND-XDNAFOTISA-N 2 0 295.515 2.673 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000517390281 260175404 /nfs/dbraw/zinc/17/54/04/260175404.db2.gz FTXDDRYKQPPSSI-LSDHHAIUSA-N 2 0 262.397 2.623 20 0 CFADRP CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000521858939 260220470 /nfs/dbraw/zinc/22/04/70/260220470.db2.gz CSOYBFDMNUNZAO-HYVNUMGLSA-N 2 0 290.455 2.530 20 0 CFADRP CC[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)[C@@H]1CCOC1 ZINC000312941051 260223778 /nfs/dbraw/zinc/22/37/78/260223778.db2.gz ZWZKGHUYKKSXQQ-IXDOHACOSA-N 2 0 276.424 2.694 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000415019429 533685127 /nfs/dbraw/zinc/68/51/27/533685127.db2.gz VWJBKCWENAWVTI-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000181740141 261094775 /nfs/dbraw/zinc/09/47/75/261094775.db2.gz QELQPCLTKYPUEG-QZTJIDSGSA-N 2 0 295.515 2.963 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)CC(F)(F)F)CC1 ZINC000161655375 261109454 /nfs/dbraw/zinc/10/94/54/261109454.db2.gz FPFKAJUVAQKAPU-SNVBAGLBSA-N 2 0 252.324 2.791 20 0 CFADRP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390581854 262222986 /nfs/dbraw/zinc/22/29/86/262222986.db2.gz JEPZWDVKQGJKGH-RYRKJORJSA-N 2 0 289.467 2.627 20 0 CFADRP Cc1ccc(C)c(OCCC[NH+]2CCC(C[NH3+])CC2)c1 ZINC000020267188 262244621 /nfs/dbraw/zinc/24/46/21/262244621.db2.gz XWBMSHQWKVLKCP-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP c1nc(C2CC2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000521421811 262324688 /nfs/dbraw/zinc/32/46/88/262324688.db2.gz UYLFCPCMUMEFMQ-UHFFFAOYSA-N 2 0 291.464 2.985 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC(C)(C)CO ZINC000393411447 262347173 /nfs/dbraw/zinc/34/71/73/262347173.db2.gz ZFSHPPVPNUNWTA-CABCVRRESA-N 2 0 270.461 2.686 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000391212296 262390354 /nfs/dbraw/zinc/39/03/54/262390354.db2.gz QHGPHIGPHZWLHG-RBSFLKMASA-N 2 0 293.480 2.894 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000011888912 265309205 /nfs/dbraw/zinc/30/92/05/265309205.db2.gz WRXCQSNZTUZQNX-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000011888534 265309719 /nfs/dbraw/zinc/30/97/19/265309719.db2.gz ZKJBDJHHFAQQSU-AWEZNQCLSA-N 2 0 266.816 2.943 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccc(OC(F)F)cc2)CC1 ZINC000519540690 265471946 /nfs/dbraw/zinc/47/19/46/265471946.db2.gz YMXXBKWUCZPIEX-UHFFFAOYSA-N 2 0 298.377 2.938 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1F ZINC000258966335 270274340 /nfs/dbraw/zinc/27/43/40/270274340.db2.gz LFEBIHYEXRGQAN-ZIAGYGMSSA-N 2 0 250.361 2.573 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CC2CCCC2)CC1 ZINC000192727553 270233428 /nfs/dbraw/zinc/23/34/28/270233428.db2.gz UNVKJCOXQKVDAG-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000192750674 270233946 /nfs/dbraw/zinc/23/39/46/270233946.db2.gz PTZCXBYZVXVXRG-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000186902934 279099629 /nfs/dbraw/zinc/09/96/29/279099629.db2.gz GYAJSZCBJGPJPS-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP CCc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000225381960 270256122 /nfs/dbraw/zinc/25/61/22/270256122.db2.gz XBZNOXQSOOGZBU-NEPJUHHUSA-N 2 0 252.427 2.918 20 0 CFADRP CCc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000225381983 270256272 /nfs/dbraw/zinc/25/62/72/270256272.db2.gz XBZNOXQSOOGZBU-RYUDHWBXSA-N 2 0 252.427 2.918 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000236844610 270263457 /nfs/dbraw/zinc/26/34/57/270263457.db2.gz LKAACZMRXBTGJI-HZPDHXFCSA-N 2 0 297.487 2.522 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237231794 270265565 /nfs/dbraw/zinc/26/55/65/270265565.db2.gz CYBLBBZDUAUNFX-HOTGVXAUSA-N 2 0 289.423 2.642 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000313257106 270290462 /nfs/dbraw/zinc/29/04/62/270290462.db2.gz USWBLSALHAYTRI-ZACQAIPSSA-N 2 0 280.456 2.704 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000392192063 270306784 /nfs/dbraw/zinc/30/67/84/270306784.db2.gz NNMHFDIWXWQYAS-UHFFFAOYSA-N 2 0 256.393 2.916 20 0 CFADRP C[C@H]([NH2+]CCCN1CCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000395231871 270311980 /nfs/dbraw/zinc/31/19/80/270311980.db2.gz WASZXXUJUMAYJG-RDJZCZTQSA-N 2 0 287.451 2.559 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000395367120 270312046 /nfs/dbraw/zinc/31/20/46/270312046.db2.gz ZXWPRMNTLNDIMJ-FKZOYECMSA-N 2 0 256.459 2.625 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397253722 270316702 /nfs/dbraw/zinc/31/67/02/270316702.db2.gz QGNVFTVGXRGIHL-DZKIICNBSA-N 2 0 276.424 2.809 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000397253649 270316815 /nfs/dbraw/zinc/31/68/15/270316815.db2.gz DQJUNLACYJSGDI-BZPMIXESSA-N 2 0 250.361 2.631 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000397250188 270316919 /nfs/dbraw/zinc/31/69/19/270316919.db2.gz CFLNFEAILLQPDM-IPYPFGDCSA-N 2 0 292.423 2.509 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000397436707 270318321 /nfs/dbraw/zinc/31/83/21/270318321.db2.gz CTVUZIDJXPMJNG-IPYPFGDCSA-N 2 0 262.397 2.500 20 0 CFADRP CC(C)(C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397491703 270318977 /nfs/dbraw/zinc/31/89/77/270318977.db2.gz KKEUVEIFRKVIKS-UHFFFAOYSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000397901365 270320419 /nfs/dbraw/zinc/32/04/19/270320419.db2.gz WRNVVIRQZRFDAE-FUHWJXTLSA-N 2 0 289.467 2.758 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1cccc(Cl)c1 ZINC000422930885 270332430 /nfs/dbraw/zinc/33/24/30/270332430.db2.gz WJODQKWCRICINU-SNPRPXQTSA-N 2 0 282.815 2.967 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccccc1-c1ccccc1)C1C[NH2+]C1 ZINC000422931183 270332460 /nfs/dbraw/zinc/33/24/60/270332460.db2.gz AXOLDGYIRSLSBP-OAHLLOKOSA-N 2 0 296.414 2.930 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000514673379 270348811 /nfs/dbraw/zinc/34/88/11/270348811.db2.gz JGDVGEKZRJCCLD-JKSUJKDBSA-N 3 0 291.483 2.860 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000514787670 270354318 /nfs/dbraw/zinc/35/43/18/270354318.db2.gz BCDPWGUOQGUOJE-CJNGLKHVSA-N 2 0 274.408 2.804 20 0 CFADRP CC[NH2+]CCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000514824943 270355351 /nfs/dbraw/zinc/35/53/51/270355351.db2.gz IJBJFTRKNRSPQI-SJLPKXTDSA-N 2 0 289.467 2.629 20 0 CFADRP Cc1nccn1CC[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000514866857 270356572 /nfs/dbraw/zinc/35/65/72/270356572.db2.gz ZXNWBAKPDYYNIB-UHFFFAOYSA-N 2 0 297.406 2.752 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000514930820 270358357 /nfs/dbraw/zinc/35/83/57/270358357.db2.gz ZJDAQVDSRWHKFL-KBPBESRZSA-N 2 0 250.386 2.723 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000515190584 270365260 /nfs/dbraw/zinc/36/52/60/270365260.db2.gz IXLSSVVVCIZLSW-VQHPVUNQSA-N 2 0 281.488 2.569 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@H+](C)CCCN2CC[NH+](C)CC2)C1 ZINC000515919468 270375901 /nfs/dbraw/zinc/37/59/01/270375901.db2.gz LERLJTCUCYJAGB-MSOLQXFVSA-N 2 0 295.515 2.772 20 0 CFADRP C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000516894353 270390224 /nfs/dbraw/zinc/39/02/24/270390224.db2.gz AFFPPAPHTXQONO-OCCSQVGLSA-N 2 0 275.421 2.902 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C ZINC000516937983 270392262 /nfs/dbraw/zinc/39/22/62/270392262.db2.gz QYVMMVGJXGIUJC-OVWQWFNUSA-N 2 0 289.467 2.846 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C ZINC000516937982 270392354 /nfs/dbraw/zinc/39/23/54/270392354.db2.gz QYVMMVGJXGIUJC-LHHMISFZSA-N 2 0 289.467 2.846 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000517217376 270399966 /nfs/dbraw/zinc/39/99/66/270399966.db2.gz FOBGGRHNOHYECH-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000527944957 270559334 /nfs/dbraw/zinc/55/93/34/270559334.db2.gz DVYYVWKMKPRHQH-SZMVWBNQSA-N 2 0 293.499 2.713 20 0 CFADRP c1ccc2c(c1)CCC(C[NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000530214832 270771784 /nfs/dbraw/zinc/77/17/84/270771784.db2.gz YJSSQWINDNCURS-SFHVURJKSA-N 2 0 272.436 2.913 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000530223324 270774872 /nfs/dbraw/zinc/77/48/72/270774872.db2.gz UAHUFOIKTGQKGB-WBMJQRKESA-N 2 0 289.398 2.875 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000530223321 270775212 /nfs/dbraw/zinc/77/52/12/270775212.db2.gz UAHUFOIKTGQKGB-BLLLJJGKSA-N 2 0 289.398 2.875 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423275785 273966544 /nfs/dbraw/zinc/96/65/44/273966544.db2.gz NKOFIRKKRQTNAS-HZMBPMFUSA-N 2 0 252.789 2.772 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000414919105 274127612 /nfs/dbraw/zinc/12/76/12/274127612.db2.gz WAKGVRNVWJLZNX-SJLPKXTDSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CCC2 ZINC000271917328 274135286 /nfs/dbraw/zinc/13/52/86/274135286.db2.gz ZFSHMWSVRKXGGS-GOSISDBHSA-N 2 0 286.419 2.924 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423220377 274136156 /nfs/dbraw/zinc/13/61/56/274136156.db2.gz YHYUPTRHYANNJR-CXAGYDPISA-N 2 0 274.408 2.662 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CC1([NH3+])CCCCC1)C2 ZINC000414850835 274153296 /nfs/dbraw/zinc/15/32/96/274153296.db2.gz ZXMSHOPCPHFOIV-HNNXBMFYSA-N 2 0 288.435 2.804 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000261590007 274240251 /nfs/dbraw/zinc/24/02/51/274240251.db2.gz UHNLDXXIISSPET-MXWKQRLJSA-N 2 0 285.229 2.705 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)C1C[NH2+]C1 ZINC000335045997 274258840 /nfs/dbraw/zinc/25/88/40/274258840.db2.gz XXSKAIHCVAPDAN-YMTOWFKASA-N 2 0 295.224 2.634 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422751456 274259238 /nfs/dbraw/zinc/25/92/38/274259238.db2.gz FYWNJDWEZDNNMM-XYPHTWIQSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423413034 274340139 /nfs/dbraw/zinc/34/01/39/274340139.db2.gz JHXJKNRVHQJLNW-LBTNJELSSA-N 2 0 287.451 2.863 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)COC1 ZINC000268885990 274354560 /nfs/dbraw/zinc/35/45/60/274354560.db2.gz MUNJRFNYXZXGKV-WBVHZDCISA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[NH2+]1 ZINC000423374431 274406310 /nfs/dbraw/zinc/40/63/10/274406310.db2.gz JYMINEMYESCYKN-DJSGYFEHSA-N 2 0 262.372 2.933 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000423241051 274512926 /nfs/dbraw/zinc/51/29/26/274512926.db2.gz CVGCJBSBAHEYJT-KBPBESRZSA-N 2 0 269.392 2.885 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422905172 274515270 /nfs/dbraw/zinc/51/52/70/274515270.db2.gz RLMYBLSYAPDALF-XOYOTBSWSA-N 2 0 288.435 2.884 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCOCC[NH+](C)C ZINC000351505138 274800886 /nfs/dbraw/zinc/80/08/86/274800886.db2.gz ZVFDVEQCVYHTTO-GDBMZVCRSA-N 2 0 276.424 2.711 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422838635 274955283 /nfs/dbraw/zinc/95/52/83/274955283.db2.gz XWEUJNWNKYPGRE-KBAYOESNSA-N 2 0 287.451 2.763 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000037408417 275069832 /nfs/dbraw/zinc/06/98/32/275069832.db2.gz VCHCVOAXNWNJMT-RHSMWYFYSA-N 2 0 270.420 2.618 20 0 CFADRP C(C[NH+]1CCC2(CC[NH2+]C2)CC1)OC1CCCCCC1 ZINC000431033041 275390933 /nfs/dbraw/zinc/39/09/33/275390933.db2.gz FYKHPNKGXQMJKW-UHFFFAOYSA-N 2 0 280.456 2.801 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OCC1CCC1 ZINC000419232946 275393483 /nfs/dbraw/zinc/39/34/83/275393483.db2.gz GLTUFLNFRCFRPD-WMZOPIPTSA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000475155773 275677687 /nfs/dbraw/zinc/67/76/87/275677687.db2.gz KLKIMWYEEDZWSA-FGTMMUONSA-N 2 0 296.499 2.884 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000335304651 275853274 /nfs/dbraw/zinc/85/32/74/275853274.db2.gz XFLAUPLDOXWNAA-NWDGAFQWSA-N 2 0 260.372 2.790 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000133980568 275909799 /nfs/dbraw/zinc/90/97/99/275909799.db2.gz OWZPCOFSRNRVTI-AEFFLSMTSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CC[NH+](C)CC2)C1 ZINC000235700969 275918878 /nfs/dbraw/zinc/91/88/78/275918878.db2.gz JIVRPXKDANMGPN-CZUORRHYSA-N 2 0 250.430 2.910 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCO1 ZINC000423148673 276001163 /nfs/dbraw/zinc/00/11/63/276001163.db2.gz GJPUDUMKHKYIBS-WCVJEAGWSA-N 2 0 268.445 2.687 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(OC)CCC2)C1 ZINC000429508767 276013651 /nfs/dbraw/zinc/01/36/51/276013651.db2.gz CUSDXZRDJDZOFJ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000488449628 276033615 /nfs/dbraw/zinc/03/36/15/276033615.db2.gz PSMGXUPMPJZWQG-LSDHHAIUSA-N 2 0 270.486 2.838 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000351654918 276100053 /nfs/dbraw/zinc/10/00/53/276100053.db2.gz HOUJXEILFHYLRY-JKSUJKDBSA-N 2 0 270.461 2.761 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000361568326 276105944 /nfs/dbraw/zinc/10/59/44/276105944.db2.gz WVWZXYWZGQHVCD-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000249124144 276109543 /nfs/dbraw/zinc/10/95/43/276109543.db2.gz TZKYJWNCLJTXGL-NVXWUHKLSA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000343036254 276111113 /nfs/dbraw/zinc/11/11/13/276111113.db2.gz ZWSSXXSAMXMZHM-QAPCUYQASA-N 2 0 289.467 2.568 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCOC(C)(C)C1 ZINC000351925535 276134318 /nfs/dbraw/zinc/13/43/18/276134318.db2.gz LIHRMWDLDGXCJF-LSDHHAIUSA-N 2 0 268.445 2.750 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000358751009 276148708 /nfs/dbraw/zinc/14/87/08/276148708.db2.gz MWFSTMIQRDGIMM-INIZCTEOSA-N 2 0 290.455 2.509 20 0 CFADRP CC1(F)CC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335007577 276169386 /nfs/dbraw/zinc/16/93/86/276169386.db2.gz RBNRGQWXNHESQF-PEXURAOCSA-N 2 0 290.382 2.723 20 0 CFADRP CCC(CC)(CC)C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414940146 276208296 /nfs/dbraw/zinc/20/82/96/276208296.db2.gz HCCUHWWPHAVMBP-HNNXBMFYSA-N 2 0 256.434 2.561 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCC(C)CC2)[C@@H](C)C1 ZINC000355413938 276216591 /nfs/dbraw/zinc/21/65/91/276216591.db2.gz DGDHMXYLHSOWDA-VUROTCPHSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000360987677 276221841 /nfs/dbraw/zinc/22/18/41/276221841.db2.gz SINWTMICQLGDGU-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2)[C@H](C)C1 ZINC000267467736 276225447 /nfs/dbraw/zinc/22/54/47/276225447.db2.gz WENNLQZHDCVFEE-COXVUDFISA-N 2 0 294.414 2.521 20 0 CFADRP CCCC1CCC([NH2+]C[C@]2(COC)CCC[NH2+]2)CC1 ZINC000414948622 276225998 /nfs/dbraw/zinc/22/59/98/276225998.db2.gz XWMMBADRDUZQEG-GPANFISMSA-N 2 0 268.445 2.704 20 0 CFADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422706814 276230422 /nfs/dbraw/zinc/23/04/22/276230422.db2.gz GALIEIZXSFNDLM-IXDOHACOSA-N 2 0 281.488 2.619 20 0 CFADRP CCOC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000336815310 276308983 /nfs/dbraw/zinc/30/89/83/276308983.db2.gz HMVNHYSXJBRVGF-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453410749 276344609 /nfs/dbraw/zinc/34/46/09/276344609.db2.gz VBTJBAAXWKADOF-HZPDHXFCSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(C)(C)OC)C[C@@H]1C ZINC000336784557 276398649 /nfs/dbraw/zinc/39/86/49/276398649.db2.gz ROFMDLZIPWPSFK-KBPBESRZSA-N 2 0 256.434 2.606 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000414958505 276423422 /nfs/dbraw/zinc/42/34/22/276423422.db2.gz OYFVBTCFFSPASA-ZMSDIMECSA-N 2 0 281.488 2.617 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423370359 276462266 /nfs/dbraw/zinc/46/22/66/276462266.db2.gz FTDNNMDPZCFFBT-DOTOQJQBSA-N 2 0 274.408 2.585 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000430726529 276471824 /nfs/dbraw/zinc/47/18/24/276471824.db2.gz WKGHYFUSQZVECH-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@H](C)C[C@H](C)[NH3+])O[C@@H](C)C2 ZINC000422790533 276493908 /nfs/dbraw/zinc/49/39/08/276493908.db2.gz UXNFHQJUFCFORA-XQQFMLRXSA-N 2 0 292.423 2.624 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000211831391 276783702 /nfs/dbraw/zinc/78/37/02/276783702.db2.gz XKKBQXFXGQLBPG-OAHLLOKOSA-N 2 0 266.816 2.739 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000229218458 276814727 /nfs/dbraw/zinc/81/47/27/276814727.db2.gz DINUPFQPAAKRNL-SOUVJXGZSA-N 2 0 268.470 2.640 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000336208554 276888188 /nfs/dbraw/zinc/88/81/88/276888188.db2.gz SLFAHDIFVZXUBR-OAHLLOKOSA-N 2 0 280.456 2.536 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000227497023 277025517 /nfs/dbraw/zinc/02/55/17/277025517.db2.gz HJYJQQDQCDCAAZ-MRXNPFEDSA-N 2 0 258.409 2.995 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC000366903281 277036439 /nfs/dbraw/zinc/03/64/39/277036439.db2.gz OHHCUESNGYUORD-KRWDZBQOSA-N 2 0 294.483 2.735 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000366597983 277043949 /nfs/dbraw/zinc/04/39/49/277043949.db2.gz MRKSJMWFNYMZRZ-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000459791748 277053399 /nfs/dbraw/zinc/05/33/99/277053399.db2.gz RTSNALTXFVILEH-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000376842399 277077402 /nfs/dbraw/zinc/07/74/02/277077402.db2.gz MLPBCHAOMHCFTQ-IRXDYDNUSA-N 2 0 280.456 2.609 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423331489 277083089 /nfs/dbraw/zinc/08/30/89/277083089.db2.gz OMUFBROBBNQUGD-ZDUSSCGKSA-N 2 0 289.423 2.685 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423479702 277083104 /nfs/dbraw/zinc/08/31/04/277083104.db2.gz MNBHTKZRCFGHGY-XJKSGUPXSA-N 2 0 289.423 2.828 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC000158587501 277083365 /nfs/dbraw/zinc/08/33/65/277083365.db2.gz DVRFCVMSGYPOJW-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC34CCC(CC3)C4)C2)C1 ZINC000451071932 277086429 /nfs/dbraw/zinc/08/64/29/277086429.db2.gz UKWQMQWYQNKRLT-JCYILVPMSA-N 2 0 262.441 2.984 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000334624937 277086538 /nfs/dbraw/zinc/08/65/38/277086538.db2.gz RJXIFMVGKPUVNH-KBPBESRZSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc3c(c2)CCO3)C1 ZINC000290438090 277158052 /nfs/dbraw/zinc/15/80/52/277158052.db2.gz LQUKKLWQYPVYGN-IAGOWNOFSA-N 2 0 286.419 2.538 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000367739925 277170032 /nfs/dbraw/zinc/17/00/32/277170032.db2.gz YGQCUZLSLKXHCA-FGTMMUONSA-N 2 0 270.420 2.616 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2cccnc2)[C@H]2CCC[C@@H]21 ZINC000414336957 277170290 /nfs/dbraw/zinc/17/02/90/277170290.db2.gz PKQDNVOXQCJBRR-IKGGRYGDSA-N 2 0 287.451 2.822 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@@H]2CCC[C@@H]21 ZINC000353535620 277170423 /nfs/dbraw/zinc/17/04/23/277170423.db2.gz WKRCXWVHCDREDN-KKUMJFAQSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@H]2CCC[C@@H]21 ZINC000353666895 277171663 /nfs/dbraw/zinc/17/16/63/277171663.db2.gz AJHWRPPUJBXBFY-XGUBFFRZSA-N 2 0 268.470 2.735 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCCC3)[C@H]2CCC[C@@H]21 ZINC000375895498 277172251 /nfs/dbraw/zinc/17/22/51/277172251.db2.gz NHWNSVUODWLUCJ-NEWSRXKRSA-N 2 0 299.462 2.923 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCCCC2)C1 ZINC000366954664 277183127 /nfs/dbraw/zinc/18/31/27/277183127.db2.gz MGCTYUWYZNMGJM-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP COCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCCC1 ZINC000423169836 277199786 /nfs/dbraw/zinc/19/97/86/277199786.db2.gz WNUCLAWJYOSCJK-NVXWUHKLSA-N 2 0 290.451 2.741 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945920 277215077 /nfs/dbraw/zinc/21/50/77/277215077.db2.gz BNKFVUQUFMEWBG-ZBFHGGJFSA-N 2 0 280.456 2.750 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427084 277238378 /nfs/dbraw/zinc/23/83/78/277238378.db2.gz FRPSEKWRQIESJT-GBJTYRQASA-N 2 0 250.430 2.789 20 0 CFADRP COC[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245981307 277244273 /nfs/dbraw/zinc/24/42/73/277244273.db2.gz GZXDZDFEEXXJFG-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423255798 277282690 /nfs/dbraw/zinc/28/26/90/277282690.db2.gz ATZJUHOHIYMABL-DZGCQCFKSA-N 2 0 262.397 2.654 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423277279 277282850 /nfs/dbraw/zinc/28/28/50/277282850.db2.gz PPVKOJMDKLYVPV-LRDDRELGSA-N 2 0 262.397 2.518 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423283145 277282911 /nfs/dbraw/zinc/28/29/11/277282911.db2.gz XINQIBMLXQVQAW-HZMBPMFUSA-N 2 0 252.789 2.772 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349358179 277323809 /nfs/dbraw/zinc/32/38/09/277323809.db2.gz VNLJLAONYPBGEP-IAGOWNOFSA-N 2 0 281.488 2.737 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423211908 277334678 /nfs/dbraw/zinc/33/46/78/277334678.db2.gz HUGWWPXRBAATID-WTTBNOFXSA-N 2 0 276.424 2.740 20 0 CFADRP CC(C)CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349303886 277351346 /nfs/dbraw/zinc/35/13/46/277351346.db2.gz ZHYOSHVQHPXSJD-MRXNPFEDSA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000429324571 277351359 /nfs/dbraw/zinc/35/13/59/277351359.db2.gz ARKGMOCXWCCKCI-BZUAXINKSA-N 2 0 268.445 2.606 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(C[NH+](C)C)CCCC3)C[C@H]2C1 ZINC000424277565 277351439 /nfs/dbraw/zinc/35/14/39/277351439.db2.gz GYFPQVNWDIXUDO-WNKDZCFJSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000246339835 277396925 /nfs/dbraw/zinc/39/69/25/277396925.db2.gz GSFHKUPZLYLHKI-XMTFNYHQSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000374374032 277397160 /nfs/dbraw/zinc/39/71/60/277397160.db2.gz KSTVZFKJRBNHHW-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422964667 277562093 /nfs/dbraw/zinc/56/20/93/277562093.db2.gz MIMAOVWPINPSJJ-JKSUJKDBSA-N 2 0 293.455 2.914 20 0 CFADRP CC(C)[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157283601 277585591 /nfs/dbraw/zinc/58/55/91/277585591.db2.gz ZSMQTPGPZOFENL-IRXDYDNUSA-N 2 0 273.424 2.594 20 0 CFADRP C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422965675 277622705 /nfs/dbraw/zinc/62/27/05/277622705.db2.gz PIJITUPLFMJIKS-BZUAXINKSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000415065518 277724144 /nfs/dbraw/zinc/72/41/44/277724144.db2.gz GKNUOROFRUNWRU-NXHRZFHOSA-N 2 0 293.499 2.761 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423242067 277733332 /nfs/dbraw/zinc/73/33/32/277733332.db2.gz YGSILNGZSKWIGR-KKOFPSKJSA-N 2 0 262.397 2.622 20 0 CFADRP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341876093 277739969 /nfs/dbraw/zinc/73/99/69/277739969.db2.gz MSHKLZBQRQXJPV-HIFRSBDPSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)c1 ZINC000414130034 277924360 /nfs/dbraw/zinc/92/43/60/277924360.db2.gz VSJMDQXXWGSWQZ-CQSZACIVSA-N 2 0 276.424 2.996 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000422787672 277948874 /nfs/dbraw/zinc/94/88/74/277948874.db2.gz UWEOKBPEINOAFD-WBMJQRKESA-N 2 0 262.397 2.790 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH3+])CCCS2 ZINC000423196264 277981844 /nfs/dbraw/zinc/98/18/44/277981844.db2.gz UZPLQWKRYMCMRV-ZDUSSCGKSA-N 2 0 266.410 2.561 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000247228745 278002009 /nfs/dbraw/zinc/00/20/09/278002009.db2.gz YEOCACBFDPXBKK-VVLHAWIVSA-N 2 0 295.515 2.815 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000360240257 278002084 /nfs/dbraw/zinc/00/20/84/278002084.db2.gz DQEXJYRBSBARNN-YVSFHVDLSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC[NH2+]1 ZINC000415119193 278013109 /nfs/dbraw/zinc/01/31/09/278013109.db2.gz XDQPRKKWNZKOJV-RRCSTGOVSA-N 2 0 250.430 2.933 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C2CC2)c1 ZINC000293324912 278013902 /nfs/dbraw/zinc/01/39/02/278013902.db2.gz FSQWTYAUWVJWGK-KBXCAEBGSA-N 2 0 290.451 2.804 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)CC[N@@H+]1C ZINC000245566676 278026888 /nfs/dbraw/zinc/02/68/88/278026888.db2.gz RFJMEKAPGXOJSW-OAGGEKHMSA-N 2 0 296.455 2.525 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C2 ZINC000414967135 278031869 /nfs/dbraw/zinc/03/18/69/278031869.db2.gz POOBAZPIQLLBEV-HZPDHXFCSA-N 2 0 288.435 2.674 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049554183 278050907 /nfs/dbraw/zinc/05/09/07/278050907.db2.gz VTONOQYTBJGWJY-ZIAGYGMSSA-N 2 0 264.413 2.556 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000423537212 278129113 /nfs/dbraw/zinc/12/91/13/278129113.db2.gz CCZZHVAPRYELNA-TTZDDIAXSA-N 2 0 276.428 2.503 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166636134 278145624 /nfs/dbraw/zinc/14/56/24/278145624.db2.gz GHQWPXRCJBQLMH-GBJTYRQASA-N 2 0 268.470 2.877 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000300408658 278145961 /nfs/dbraw/zinc/14/59/61/278145961.db2.gz GHQWPXRCJBQLMH-ZQDZILKHSA-N 2 0 268.470 2.877 20 0 CFADRP CS[C@H]1CCCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162582953 278160917 /nfs/dbraw/zinc/16/09/17/278160917.db2.gz SOOJDQOKHXPLRC-KBPBESRZSA-N 2 0 256.459 2.688 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423019741 278169793 /nfs/dbraw/zinc/16/97/93/278169793.db2.gz WZKZJRJIPKTSNQ-BYCMXARLSA-N 2 0 282.815 2.887 20 0 CFADRP CC1(C)CC([NH2+]C[C@H]2C[NH2+]CCCO2)CC(C)(C)C1 ZINC000415033179 278190946 /nfs/dbraw/zinc/19/09/46/278190946.db2.gz GQSSZOSTBGNLJR-CQSZACIVSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335642350 278206798 /nfs/dbraw/zinc/20/67/98/278206798.db2.gz IHQXXVVLIGQFPD-JCYILVPMSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415076440 278213973 /nfs/dbraw/zinc/21/39/73/278213973.db2.gz GOORDTWDDQGKDT-GZBFAFLISA-N 2 0 280.387 2.713 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423076343 278215710 /nfs/dbraw/zinc/21/57/10/278215710.db2.gz RBPPYIHAZOAKTL-BBWFWOEESA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357039864 278225583 /nfs/dbraw/zinc/22/55/83/278225583.db2.gz AZPUKAXZAKFCLA-MAUKXSAKSA-N 2 0 294.483 2.761 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000422951847 278227525 /nfs/dbraw/zinc/22/75/25/278227525.db2.gz AJEMXHHRDADTLD-SMDDNHRTSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423150792 278228236 /nfs/dbraw/zinc/22/82/36/278228236.db2.gz CJMSICMZUAPLGN-GZMMTYOYSA-N 2 0 272.314 2.808 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423145289 278228251 /nfs/dbraw/zinc/22/82/51/278228251.db2.gz JYBUYINNPLEBMU-NHYWBVRUSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCc2ccccc2CC1 ZINC000449584523 278228799 /nfs/dbraw/zinc/22/87/99/278228799.db2.gz CQWKWXDWNRHWTL-AWEZNQCLSA-N 2 0 260.425 2.864 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCOC1 ZINC000356859285 278253687 /nfs/dbraw/zinc/25/36/87/278253687.db2.gz XSRZSNPEKAIDOQ-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@H]1Cc2ccc(Cl)cc2C1)C[NH+](C)C ZINC000310835077 278287575 /nfs/dbraw/zinc/28/75/75/278287575.db2.gz JQOACEMCDIELHT-NHYWBVRUSA-N 2 0 266.816 2.595 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000341306335 278297846 /nfs/dbraw/zinc/29/78/46/278297846.db2.gz RMQCMNCZUQTPAM-JKQORVJESA-N 2 0 282.472 2.779 20 0 CFADRP CC(C)(C)CCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422720914 278312449 /nfs/dbraw/zinc/31/24/49/278312449.db2.gz UDODGMBWTCKRLP-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCOC1 ZINC000334891759 278333372 /nfs/dbraw/zinc/33/33/72/278333372.db2.gz OOVKZRBRKWPPMX-OLZOCXBDSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]([NH2+]C1CCc2ccccc2CC1)[C@@H]1CCC[NH2+]C1 ZINC000335178834 278336960 /nfs/dbraw/zinc/33/69/60/278336960.db2.gz LMIONHNNCPTSOI-RHSMWYFYSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CCCC1)C1C[NH2+]C1 ZINC000422845114 278341388 /nfs/dbraw/zinc/34/13/88/278341388.db2.gz NLGLBEJDYGUZMV-GFCCVEGCSA-N 2 0 294.389 2.974 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337556784 278341820 /nfs/dbraw/zinc/34/18/20/278341820.db2.gz RVNUFEKJECFYSY-CHWSQXEVSA-N 2 0 290.398 2.999 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CSC2(C)C)CC1 ZINC000336322908 278341917 /nfs/dbraw/zinc/34/19/17/278341917.db2.gz QBVYRGZOUAKLNM-GFCCVEGCSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cn[nH]c1 ZINC000453062146 278343494 /nfs/dbraw/zinc/34/34/94/278343494.db2.gz QAZXZUVKTZDWQR-ZIAGYGMSSA-N 2 0 264.417 2.715 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1N(C)C ZINC000179398904 278344533 /nfs/dbraw/zinc/34/45/33/278344533.db2.gz DKQBIUUAUMAHFV-OAHLLOKOSA-N 2 0 275.440 2.889 20 0 CFADRP C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422756349 278347928 /nfs/dbraw/zinc/34/79/28/278347928.db2.gz CFCMHWMTJMMVDL-SNVBAGLBSA-N 2 0 270.829 2.630 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423079144 278351738 /nfs/dbraw/zinc/35/17/38/278351738.db2.gz XIBBTRJAELBQLQ-UBDQQSCGSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H]1CCC[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C1 ZINC000261565604 278351971 /nfs/dbraw/zinc/35/19/71/278351971.db2.gz HUBZZSNWAXTOEY-GJZGRUSLSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)C1C[NH2+]C1 ZINC000335153655 278387167 /nfs/dbraw/zinc/38/71/67/278387167.db2.gz CPHOMQCWDKPJTL-OTYXRUKQSA-N 2 0 250.773 2.525 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000423108206 278444317 /nfs/dbraw/zinc/44/43/17/278444317.db2.gz FSIPOKWLFBSHEJ-LUYZLQTOSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000449083010 278469332 /nfs/dbraw/zinc/46/93/32/278469332.db2.gz RQZFHDJVIQIIED-GJZGRUSLSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000372393211 278498174 /nfs/dbraw/zinc/49/81/74/278498174.db2.gz QFGCWORUAJDUBG-ZACQAIPSSA-N 2 0 293.499 2.571 20 0 CFADRP CC1CCC(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000414792775 278518109 /nfs/dbraw/zinc/51/81/09/278518109.db2.gz SGYWNLINHHXRHF-MMADZMRASA-N 2 0 280.456 2.641 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340187098 278539613 /nfs/dbraw/zinc/53/96/13/278539613.db2.gz XSLMMAKIVPOQNY-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422716532 278650485 /nfs/dbraw/zinc/65/04/85/278650485.db2.gz NJENXSZONOGUIA-KWXGJIJISA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cc(C)cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422921405 278671569 /nfs/dbraw/zinc/67/15/69/278671569.db2.gz OBYBJTCGLVTPSA-ZMSDIMECSA-N 2 0 260.425 2.965 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000423371788 288070579 /nfs/dbraw/zinc/07/05/79/288070579.db2.gz FTDZDIMOXYWQQN-MAZHCROVSA-N 2 0 290.407 2.654 20 0 CFADRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000484136808 278871446 /nfs/dbraw/zinc/87/14/46/278871446.db2.gz BHQLIROAZIAQAA-MRXNPFEDSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414715980 278964249 /nfs/dbraw/zinc/96/42/49/278964249.db2.gz XQQQLNWSFWHMNX-CHWSQXEVSA-N 2 0 262.372 2.793 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@H](C)CCCC[NH3+] ZINC000423143342 278982376 /nfs/dbraw/zinc/98/23/76/278982376.db2.gz CQWUGUZMBSMPAO-CVEARBPZSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)CC[NH2+]1 ZINC000423377744 278992707 /nfs/dbraw/zinc/99/27/07/278992707.db2.gz KIQDXAKMUOMWTM-DAXOMENPSA-N 2 0 259.397 2.653 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000354205323 279027008 /nfs/dbraw/zinc/02/70/08/279027008.db2.gz AJAWYTIBXOTFBX-ULQDDVLXSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422743506 279040460 /nfs/dbraw/zinc/04/04/60/279040460.db2.gz RPMLTYNJWOAAQB-YJBOKZPZSA-N 2 0 289.467 2.759 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000374064907 279095137 /nfs/dbraw/zinc/09/51/37/279095137.db2.gz ALSGYSIVWFSLTR-ZWKOTPCHSA-N 2 0 295.515 2.628 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341906820 288103872 /nfs/dbraw/zinc/10/38/72/288103872.db2.gz XPIXQCBSJRNFFX-UUAJXVIYSA-N 2 0 281.488 2.568 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000070443377 279101554 /nfs/dbraw/zinc/10/15/54/279101554.db2.gz RJFOVAFCEIFLSO-KBPBESRZSA-N 2 0 266.433 2.581 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368292343 279139397 /nfs/dbraw/zinc/13/93/97/279139397.db2.gz TZKPVCKDZVBKBV-LDDOYCOJSA-N 2 0 286.419 2.768 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000247027351 288108007 /nfs/dbraw/zinc/10/80/07/288108007.db2.gz QNUCYMDFJKOKHM-LVQVYYBASA-N 2 0 280.456 2.797 20 0 CFADRP Cc1[nH+]ccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1Cl ZINC000450550384 279164490 /nfs/dbraw/zinc/16/44/90/279164490.db2.gz XLJCSOTXHQBTQK-NSHDSACASA-N 2 0 279.815 2.964 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000414796787 279177327 /nfs/dbraw/zinc/17/73/27/279177327.db2.gz YHOMGMCGRXZEEK-LAVFITLUSA-N 2 0 270.420 2.791 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000336848054 279254737 /nfs/dbraw/zinc/25/47/37/279254737.db2.gz HDYXMNAMPWRYBV-SJLPKXTDSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2c1cccc2F ZINC000422766515 279255506 /nfs/dbraw/zinc/25/55/06/279255506.db2.gz QEPXEPRSUXTQCU-ABAIWWIYSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000415029010 279256304 /nfs/dbraw/zinc/25/63/04/279256304.db2.gz ZRRUCLQOPIJWIF-OCCSQVGLSA-N 2 0 270.367 2.970 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000049554287 279258541 /nfs/dbraw/zinc/25/85/41/279258541.db2.gz SAVNAVLAAYLVHI-CHWSQXEVSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000415083995 279368222 /nfs/dbraw/zinc/36/82/22/279368222.db2.gz ONQAAOQLLCKZMQ-HGTKMLMNSA-N 2 0 274.408 2.671 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000422951397 279370608 /nfs/dbraw/zinc/37/06/08/279370608.db2.gz YKPSEOMQADOONK-OPQQBVKSSA-N 2 0 268.788 2.879 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130193472 279379326 /nfs/dbraw/zinc/37/93/26/279379326.db2.gz DPYRQRSWFMTTAJ-XOKHGSTOSA-N 2 0 276.399 2.973 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422842324 279383423 /nfs/dbraw/zinc/38/34/23/279383423.db2.gz YBHDKNBHNQOXIL-OAUYIBNBSA-N 2 0 267.376 2.747 20 0 CFADRP C[C@H](F)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423139905 279390906 /nfs/dbraw/zinc/39/09/06/279390906.db2.gz WVGHVROIXOJKJM-DUVNUKRYSA-N 2 0 278.371 2.580 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSC(C)C)[C@@H](C)C1 ZINC000336686604 279397964 /nfs/dbraw/zinc/39/79/64/279397964.db2.gz DZXSYKJLRXTZEX-UONOGXRCSA-N 2 0 258.475 2.790 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423222970 279400038 /nfs/dbraw/zinc/40/00/38/279400038.db2.gz DJOCOXDREBHTQW-GXFFZTMASA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1Cc2ccccc2C1 ZINC000423034806 279402586 /nfs/dbraw/zinc/40/25/86/279402586.db2.gz IKTSONDRTVRHQL-IFXJQAMLSA-N 2 0 280.415 2.702 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414957200 279516109 /nfs/dbraw/zinc/51/61/09/279516109.db2.gz NXPDZAQLLWVQNO-UXLLHSPISA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]1C[N@H+](CC2=CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000336199551 288149755 /nfs/dbraw/zinc/14/97/55/288149755.db2.gz JFQFUQTWWGXVRY-MRXNPFEDSA-N 2 0 291.483 2.587 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000335010072 279623790 /nfs/dbraw/zinc/62/37/90/279623790.db2.gz MUFMPSIZMKXBPH-UHFFFAOYSA-N 2 0 280.456 2.833 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423007494 279683809 /nfs/dbraw/zinc/68/38/09/279683809.db2.gz XVFNLJSFWIQHQM-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000356981733 279687374 /nfs/dbraw/zinc/68/73/74/279687374.db2.gz RVFQJJGIAUTBNO-WMZOPIPTSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420307588 280028158 /nfs/dbraw/zinc/02/81/58/280028158.db2.gz RMLPZIIQGMBXSU-GJZGRUSLSA-N 2 0 258.409 2.823 20 0 CFADRP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000335017351 280079511 /nfs/dbraw/zinc/07/95/11/280079511.db2.gz JEULDCRENYTRHG-NOUVDNQPSA-N 2 0 278.371 2.755 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162845151 280115900 /nfs/dbraw/zinc/11/59/00/280115900.db2.gz RGNOTYNPPYNUAO-LVQVYYBASA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000353454797 280254688 /nfs/dbraw/zinc/25/46/88/280254688.db2.gz MAKCKXVALUBBOW-BDXSIMOUSA-N 2 0 293.499 2.569 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000414785327 280286066 /nfs/dbraw/zinc/28/60/66/280286066.db2.gz SMEAEQXLNCCNPW-ZACQAIPSSA-N 2 0 294.483 2.890 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@]2(COC)CCC[NH2+]2)C1 ZINC000414936018 280286528 /nfs/dbraw/zinc/28/65/28/280286528.db2.gz BNCSJCZWBKYEJU-OAGGEKHMSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423531620 280325939 /nfs/dbraw/zinc/32/59/39/280325939.db2.gz SYWGEPVWNGBULW-CCDXNHEYSA-N 2 0 262.441 2.918 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cn1 ZINC000423541427 280333521 /nfs/dbraw/zinc/33/35/21/280333521.db2.gz LADAVWDYDCCADE-LBEHMCEESA-N 2 0 291.414 2.896 20 0 CFADRP CC(C)C[C@H]([NH3+])CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000107788545 280587698 /nfs/dbraw/zinc/58/76/98/280587698.db2.gz UXAQINPCUMZMTE-KRWDZBQOSA-N 2 0 289.467 2.614 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000126401490 280652550 /nfs/dbraw/zinc/65/25/50/280652550.db2.gz KSFXLODXIFZWNN-GFCCVEGCSA-N 2 0 250.386 2.834 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000185877881 280840377 /nfs/dbraw/zinc/84/03/77/280840377.db2.gz NTZSUOFCFYQYKP-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000185897141 280841018 /nfs/dbraw/zinc/84/10/18/280841018.db2.gz XEMSUEVTPLVWRN-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423383403 280997129 /nfs/dbraw/zinc/99/71/29/280997129.db2.gz JGWGENOSKUFMDL-YYIAUSFCSA-N 2 0 293.499 2.665 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000335044339 280997465 /nfs/dbraw/zinc/99/74/65/280997465.db2.gz JMDWOJQQNYBWDX-LSDHHAIUSA-N 2 0 280.456 2.704 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246940868 281001484 /nfs/dbraw/zinc/00/14/84/281001484.db2.gz HQNTYVSDDLOXOB-WNRNVDISSA-N 2 0 295.515 2.674 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000247032709 281003663 /nfs/dbraw/zinc/00/36/63/281003663.db2.gz MGLGESSEHBIFAM-YESZJQIVSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccoc1 ZINC000247171385 281006341 /nfs/dbraw/zinc/00/63/41/281006341.db2.gz YNPXWHKSLZWJNQ-QLFBSQMISA-N 2 0 280.412 2.820 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOCc2ccccc2)[C@@H](C)C1 ZINC000247199434 281007522 /nfs/dbraw/zinc/00/75/22/281007522.db2.gz UWOOSOXUIJVNJT-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)[C@@H](C)C1 ZINC000247248022 281008703 /nfs/dbraw/zinc/00/87/03/281008703.db2.gz YCUVPEZPNKUIOX-LRDDRELGSA-N 2 0 282.378 2.827 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC000248034722 281017650 /nfs/dbraw/zinc/01/76/50/281017650.db2.gz RHOGHDZFXJZWFC-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000247974981 281017888 /nfs/dbraw/zinc/01/78/88/281017888.db2.gz KQWLBLNWSISETH-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000248525750 281024933 /nfs/dbraw/zinc/02/49/33/281024933.db2.gz UPMJOKXCLRRXDW-WXHSDQCUSA-N 2 0 267.442 2.627 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000248622464 281028125 /nfs/dbraw/zinc/02/81/25/281028125.db2.gz BBRIUYWCMWEIPW-GVDBMIGSSA-N 2 0 283.504 2.817 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCCO1 ZINC000249275321 281053741 /nfs/dbraw/zinc/05/37/41/281053741.db2.gz JUCDOOFLXPGULD-HYVNUMGLSA-N 2 0 278.440 2.504 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC=C(C)C)[C@@H](C)C1 ZINC000249370440 281056676 /nfs/dbraw/zinc/05/66/76/281056676.db2.gz OZHPQMBEIDYEHE-HOTGVXAUSA-N 2 0 268.445 2.679 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000250780765 281070622 /nfs/dbraw/zinc/07/06/22/281070622.db2.gz SEHZHMAWGDOFQW-FJIDUMEYSA-N 2 0 295.515 2.863 20 0 CFADRP c1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252673528 281076674 /nfs/dbraw/zinc/07/66/74/281076674.db2.gz KKUAZFWELPBBAM-IRXDYDNUSA-N 2 0 258.409 2.836 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252709932 281077006 /nfs/dbraw/zinc/07/70/06/281077006.db2.gz FFKJIRNFCUMRMU-UKRRQHHQSA-N 2 0 264.438 2.709 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000259035107 281111674 /nfs/dbraw/zinc/11/16/74/281111674.db2.gz PCYZMCQTSYYYCE-HNNXBMFYSA-N 2 0 260.425 2.862 20 0 CFADRP Brc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000259084882 281111722 /nfs/dbraw/zinc/11/17/22/281111722.db2.gz TVBXIJRAQBWDAG-LLVKDONJSA-N 2 0 283.213 2.538 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261565597 281112074 /nfs/dbraw/zinc/11/20/74/281112074.db2.gz HTKRSRNVTMDAQH-CABCVRRESA-N 2 0 250.361 2.948 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H](C)C2 ZINC000423209288 281119939 /nfs/dbraw/zinc/11/99/39/281119939.db2.gz IXOZUYCMNTUUDI-GRDNDAEWSA-N 2 0 258.409 2.818 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423556764 281124082 /nfs/dbraw/zinc/12/40/82/281124082.db2.gz ZCVPWDHELNTWMQ-BVIKNXMNSA-N 2 0 270.420 2.960 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000294908891 281140256 /nfs/dbraw/zinc/14/02/56/281140256.db2.gz GBKYPGBJYGJEHI-GXTWGEPZSA-N 2 0 296.842 2.963 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305152463 281150870 /nfs/dbraw/zinc/15/08/70/281150870.db2.gz PDBPNFJVWWIXFW-QGZVFWFLSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCC1 ZINC000357886900 281181223 /nfs/dbraw/zinc/18/12/23/281181223.db2.gz WRIFLYWFBNKNJR-XHSDSOJGSA-N 2 0 292.467 2.656 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1COC(C)(C)C1)Cc1ccccc1 ZINC000396853798 281197758 /nfs/dbraw/zinc/19/77/58/281197758.db2.gz OEBFICKOKBORJI-INIZCTEOSA-N 2 0 276.424 2.666 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000396856873 281198106 /nfs/dbraw/zinc/19/81/06/281198106.db2.gz SSEHJDYTVJLZQC-ZIAGYGMSSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])CC(F)(F)F ZINC000397011031 281199759 /nfs/dbraw/zinc/19/97/59/281199759.db2.gz OJMQORKAAYBVPG-GARJFASQSA-N 2 0 252.324 2.682 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000420372158 281220151 /nfs/dbraw/zinc/22/01/51/281220151.db2.gz LFZYWJKLROKGGL-AWEZNQCLSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420372007 281220178 /nfs/dbraw/zinc/22/01/78/281220178.db2.gz XKWJPMNXOVYHDV-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H](C)C2)cc1 ZINC000420371669 281220226 /nfs/dbraw/zinc/22/02/26/281220226.db2.gz KWLMYARKQAEAIQ-GOEBONIOSA-N 2 0 276.424 2.860 20 0 CFADRP CC[C@@H](C[NH2+]C1CC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000422928197 281222541 /nfs/dbraw/zinc/22/25/41/281222541.db2.gz JLHDEACVUHUQII-AWEZNQCLSA-N 2 0 282.815 2.839 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000435393008 281235116 /nfs/dbraw/zinc/23/51/16/281235116.db2.gz DKODGPCTMMUNJS-GFCCVEGCSA-N 2 0 288.395 2.537 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)C1(CO)CCCC1 ZINC000459545541 281268953 /nfs/dbraw/zinc/26/89/53/281268953.db2.gz SGCBFXSEEDLXLT-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423537412 281271153 /nfs/dbraw/zinc/27/11/53/281271153.db2.gz CWTLBFBDOSLLRW-BORJPKMPSA-N 2 0 270.420 2.960 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CCCCC[C@@H]1[NH3+])C2 ZINC000423142760 281299715 /nfs/dbraw/zinc/29/97/15/281299715.db2.gz VUEMBPSZFMRTRA-PMPSAXMXSA-N 2 0 274.408 2.548 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)[C@H](C)[C@@H]1OC ZINC000516450475 281303785 /nfs/dbraw/zinc/30/37/85/281303785.db2.gz UZKFOTFHGGZKPH-GCSSGZNBSA-N 2 0 282.472 2.804 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527654801 281336999 /nfs/dbraw/zinc/33/69/99/281336999.db2.gz YUDRPCVMVFKRCV-JQFCIGGWSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccn1 ZINC000527659548 281337941 /nfs/dbraw/zinc/33/79/41/281337941.db2.gz ARLIBHLJAXYVLO-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC[NH+]1C1CCCCC1 ZINC000527751055 281346479 /nfs/dbraw/zinc/34/64/79/281346479.db2.gz FJIWQGRFVOJPDZ-RYQLBKOJSA-N 2 0 291.483 2.610 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C(C)(C)O1 ZINC000130228687 281359324 /nfs/dbraw/zinc/35/93/24/281359324.db2.gz UEVHEQQMLYPIDI-MCIONIFRSA-N 2 0 266.429 2.549 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000539651045 281571614 /nfs/dbraw/zinc/57/16/14/281571614.db2.gz VLUHHXZGRILWPC-GDBMZVCRSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000542790765 281633920 /nfs/dbraw/zinc/63/39/20/281633920.db2.gz OKCHFWOPGFQHHM-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccn(C)n1 ZINC000543592614 281650827 /nfs/dbraw/zinc/65/08/27/281650827.db2.gz VKNGZBIGHVZLTH-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000552104931 281853618 /nfs/dbraw/zinc/85/36/18/281853618.db2.gz LKVIJUYAIWIKFQ-HNNXBMFYSA-N 2 0 266.429 2.576 20 0 CFADRP C[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000559145425 282001404 /nfs/dbraw/zinc/00/14/04/282001404.db2.gz KQUHACYTTVEOLX-QGZVFWFLSA-N 2 0 295.515 2.772 20 0 CFADRP Cc1ccc(C)c(OCCN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000559639775 282008617 /nfs/dbraw/zinc/00/86/17/282008617.db2.gz OWPRCQIRMAMFIJ-DLBZAZTESA-N 2 0 288.435 2.851 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C1(C)C ZINC000560291369 282020346 /nfs/dbraw/zinc/02/03/46/282020346.db2.gz LQYYXOKUXRMJCM-APIJFGDWSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1CCC[NH2+]C1)CCC2 ZINC000334219756 282029015 /nfs/dbraw/zinc/02/90/15/282029015.db2.gz ZXVZLUULUAIPPC-JSGCOSHPSA-N 2 0 279.453 2.760 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000560583295 282035546 /nfs/dbraw/zinc/03/55/46/282035546.db2.gz XHNADIOIGXJUOQ-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423480977 282043435 /nfs/dbraw/zinc/04/34/35/282043435.db2.gz WKRSXTIQZBVVIJ-JHJVBQTASA-N 2 0 279.453 2.936 20 0 CFADRP COc1cc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)ccn1 ZINC000562086612 282066995 /nfs/dbraw/zinc/06/69/95/282066995.db2.gz JMTMAFLDYYAUFD-GRTSSRMGSA-N 2 0 277.412 2.614 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2CC[NH+](C)CC2)c1C ZINC000302105096 282073143 /nfs/dbraw/zinc/07/31/43/282073143.db2.gz WZPQOPCZTDRIBA-UHFFFAOYSA-N 2 0 255.365 2.603 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCC23CCOCC3)CCCC1 ZINC000367080908 289095182 /nfs/dbraw/zinc/09/51/82/289095182.db2.gz OZETTZUYQUOFEP-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000374384460 289304275 /nfs/dbraw/zinc/30/42/75/289304275.db2.gz IAYLRYQXSGOONB-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC12CCC(CC1)C2 ZINC000450594657 289331723 /nfs/dbraw/zinc/33/17/23/289331723.db2.gz CWVWAGYBWQEDLL-ONWVLEABSA-N 2 0 292.467 2.750 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000422727278 289366083 /nfs/dbraw/zinc/36/60/83/289366083.db2.gz HAMFUQYWUPCBEE-YESZJQIVSA-N 2 0 293.430 2.678 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC2(CCCC2)CC1 ZINC000352840585 289603247 /nfs/dbraw/zinc/60/32/47/289603247.db2.gz NXMUGYTWVJTQIJ-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422821445 289773454 /nfs/dbraw/zinc/77/34/54/289773454.db2.gz WGICHHLTWUPBRI-NAKRPEOUSA-N 2 0 252.324 2.823 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151892425 289833624 /nfs/dbraw/zinc/83/36/24/289833624.db2.gz PXVAZCHGVDOYTA-KBAYOESNSA-N 2 0 296.499 2.741 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000365060520 289879104 /nfs/dbraw/zinc/87/91/04/289879104.db2.gz GQODDNLLFHEMNH-BRWVUGGUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000423078907 290010060 /nfs/dbraw/zinc/01/00/60/290010060.db2.gz PPLRONKEVVEKES-YSVLISHTSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000423393975 290020213 /nfs/dbraw/zinc/02/02/13/290020213.db2.gz MNONONWNPGJBLE-IIYDPXPESA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423520853 290025022 /nfs/dbraw/zinc/02/50/22/290025022.db2.gz WNGQYMNSUIPKFR-SOUVJXGZSA-N 2 0 284.407 2.650 20 0 CFADRP FC1(F)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000405016955 290029098 /nfs/dbraw/zinc/02/90/98/290029098.db2.gz HWSHXHLOSQBXHD-UHFFFAOYSA-N 2 0 266.335 2.563 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000562389287 290040113 /nfs/dbraw/zinc/04/01/13/290040113.db2.gz IZEBZBHPYXFOHK-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000366008287 290071140 /nfs/dbraw/zinc/07/11/40/290071140.db2.gz JTQYMNJRZVOCPA-ZOBUZTSGSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000562734910 290072185 /nfs/dbraw/zinc/07/21/85/290072185.db2.gz MJQMJTOXBILRIX-QLFBSQMISA-N 2 0 282.472 2.900 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000562746347 290073408 /nfs/dbraw/zinc/07/34/08/290073408.db2.gz YOTIKLMRYWKCSQ-UXLLHSPISA-N 2 0 273.424 2.915 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(OC(F)F)c1 ZINC000562960617 290086660 /nfs/dbraw/zinc/08/66/60/290086660.db2.gz RIEAADOOIUCXHE-ZJUUUORDSA-N 2 0 288.338 2.512 20 0 CFADRP Cc1cnccc1CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000563044334 290097102 /nfs/dbraw/zinc/09/71/02/290097102.db2.gz KCEGOSFMNVMHSF-UHFFFAOYSA-N 2 0 289.467 2.985 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000563150097 290109017 /nfs/dbraw/zinc/10/90/17/290109017.db2.gz ZJOMEEDUAIXAIQ-GOSISDBHSA-N 2 0 272.436 2.867 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000563150098 290109294 /nfs/dbraw/zinc/10/92/94/290109294.db2.gz ZJOMEEDUAIXAIQ-SFHVURJKSA-N 2 0 272.436 2.867 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CCCCC1 ZINC000563422122 290148684 /nfs/dbraw/zinc/14/86/84/290148684.db2.gz OUGHXQYFJSNPBJ-UHFFFAOYSA-N 2 0 290.436 2.685 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000563429719 290150505 /nfs/dbraw/zinc/15/05/05/290150505.db2.gz VLRLGLCAURNGEY-BBRMVZONSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000563519265 290157094 /nfs/dbraw/zinc/15/70/94/290157094.db2.gz FEMXNXQJCUSNNA-YPMHNXCESA-N 2 0 254.324 2.841 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000563528230 290157636 /nfs/dbraw/zinc/15/76/36/290157636.db2.gz NBOOBLZXOTXJIO-GZBFAFLISA-N 2 0 287.407 2.567 20 0 CFADRP C[C@@H]1C[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H](C)S1 ZINC000563616265 290163740 /nfs/dbraw/zinc/16/37/40/290163740.db2.gz YUBQQJMDIMIGAQ-YRGRVCCFSA-N 2 0 282.428 2.694 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000563693800 290168542 /nfs/dbraw/zinc/16/85/42/290168542.db2.gz RISPVBBQHVBJSB-KSZLIROESA-N 3 0 295.515 2.961 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000563921300 290183843 /nfs/dbraw/zinc/18/38/43/290183843.db2.gz ZVHMVFYSNICTDE-KFWWJZLASA-N 2 0 256.434 2.512 20 0 CFADRP CCOCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000564002861 290189057 /nfs/dbraw/zinc/18/90/57/290189057.db2.gz AMONBSCISBIBJS-OAHLLOKOSA-N 2 0 296.480 2.847 20 0 CFADRP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000564086149 290191967 /nfs/dbraw/zinc/19/19/67/290191967.db2.gz VWXLUXGOYDOQEQ-AEFFLSMTSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)on1 ZINC000564092715 290192259 /nfs/dbraw/zinc/19/22/59/290192259.db2.gz KDZRGHMVBRSMTR-KRWDZBQOSA-N 2 0 297.402 2.966 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)on1 ZINC000564092716 290192322 /nfs/dbraw/zinc/19/23/22/290192322.db2.gz KDZRGHMVBRSMTR-QGZVFWFLSA-N 2 0 297.402 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000353517078 290217242 /nfs/dbraw/zinc/21/72/42/290217242.db2.gz HSMNMRMKRZPBGH-QLFBSQMISA-N 2 0 296.455 2.571 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000564822204 290235794 /nfs/dbraw/zinc/23/57/94/290235794.db2.gz FERCTHGDKHAPQO-OAHLLOKOSA-N 2 0 250.386 2.736 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2n[nH]cc2c1 ZINC000564822768 290236319 /nfs/dbraw/zinc/23/63/19/290236319.db2.gz MGZJHXRTCCQSFG-OBJOEFQTSA-N 2 0 272.396 2.602 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000564822277 290236631 /nfs/dbraw/zinc/23/66/31/290236631.db2.gz IGESVXZLKIYPHQ-KBPBESRZSA-N 2 0 256.434 2.556 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000564827932 290238124 /nfs/dbraw/zinc/23/81/24/290238124.db2.gz AGLRWTSRVYMZDR-SNPRPXQTSA-N 2 0 276.428 2.748 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCCC2 ZINC000564989052 290255175 /nfs/dbraw/zinc/25/51/75/290255175.db2.gz JDHJRLPWLDCJEI-IRXDYDNUSA-N 2 0 288.435 2.973 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCCC2 ZINC000564989051 290255270 /nfs/dbraw/zinc/25/52/70/290255270.db2.gz JDHJRLPWLDCJEI-IAGOWNOFSA-N 2 0 288.435 2.973 20 0 CFADRP COCC[NH2+]C1CC[NH+](CCCC2CCCC2)CC1 ZINC000565095656 290267626 /nfs/dbraw/zinc/26/76/26/290267626.db2.gz ISLHSOOFMOVIDI-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1c(C)noc1C ZINC000565225588 290285095 /nfs/dbraw/zinc/28/50/95/290285095.db2.gz GBFWCKKEAIFWIT-XQQFMLRXSA-N 2 0 251.374 2.602 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226916 290285649 /nfs/dbraw/zinc/28/56/49/290285649.db2.gz RSSXSJLIGCQQCN-XPKDYRNWSA-N 2 0 259.397 2.506 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1Cl ZINC000565435151 290302020 /nfs/dbraw/zinc/30/20/20/290302020.db2.gz YQEFMTSRCXUCCG-CHWSQXEVSA-N 2 0 282.815 2.751 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000565468389 290303175 /nfs/dbraw/zinc/30/31/75/290303175.db2.gz MIDQLJFZWJCHQO-UBDQQSCGSA-N 2 0 288.435 2.742 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC(C)(C)CC2)CC1(C)C ZINC000565548795 290309658 /nfs/dbraw/zinc/30/96/58/290309658.db2.gz IKQYAGYCPAVNKN-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000565593756 290311628 /nfs/dbraw/zinc/31/16/28/290311628.db2.gz KVBTXVCGEBLLEF-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000565814331 290326886 /nfs/dbraw/zinc/32/68/86/290326886.db2.gz KQMUVMYFCTVAIK-NHAGDIPZSA-N 2 0 266.429 2.549 20 0 CFADRP c1cc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000566242596 290361279 /nfs/dbraw/zinc/36/12/79/290361279.db2.gz CSAFDUYGHZORKU-OAHLLOKOSA-N 2 0 264.438 2.756 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(C)COC2)C1 ZINC000336825462 290390348 /nfs/dbraw/zinc/39/03/48/290390348.db2.gz YRQKVRUUGPZMEY-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000566481840 290393023 /nfs/dbraw/zinc/39/30/23/290393023.db2.gz QNCJETXLZPKHTG-UWVGGRQHSA-N 2 0 285.229 2.973 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C1 ZINC000566481796 290393452 /nfs/dbraw/zinc/39/34/52/290393452.db2.gz KDLWEASCTLXENL-MBNYWOFBSA-N 2 0 264.344 2.509 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000567639995 290480161 /nfs/dbraw/zinc/48/01/61/290480161.db2.gz UVHSDMUSSSHWMP-QVOMUQBLSA-N 2 0 268.445 2.559 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000567639344 290480209 /nfs/dbraw/zinc/48/02/09/290480209.db2.gz JAZZMVRIZXOTQS-RDJZCZTQSA-N 2 0 281.488 2.619 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCCCCC1 ZINC000567639028 290480420 /nfs/dbraw/zinc/48/04/20/290480420.db2.gz LFXMBTWKUYUNJD-BRWVUGGUSA-N 2 0 293.499 2.939 20 0 CFADRP Cc1nc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(C)o1 ZINC000567645867 290480722 /nfs/dbraw/zinc/48/07/22/290480722.db2.gz HPZSMGLJXOXKSF-DOMZBBRYSA-N 2 0 279.428 2.734 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000567723935 290488620 /nfs/dbraw/zinc/48/86/20/290488620.db2.gz CQBYQBDZDCIVIA-NVXWUHKLSA-N 2 0 271.408 2.960 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2Cl)C1 ZINC000567915244 290504659 /nfs/dbraw/zinc/50/46/59/290504659.db2.gz LVXHYWDXGLHBDF-VXGBXAGGSA-N 2 0 268.788 2.578 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)C1 ZINC000568295015 290546205 /nfs/dbraw/zinc/54/62/05/290546205.db2.gz MKXJWYGOUAWWMD-KGLIPLIRSA-N 2 0 275.371 2.709 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000568518194 290557732 /nfs/dbraw/zinc/55/77/32/290557732.db2.gz TWNVZOWKMHDCIM-UHFFFAOYSA-N 2 0 288.435 2.615 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C1CCCC1 ZINC000446753595 292834129 /nfs/dbraw/zinc/83/41/29/292834129.db2.gz SXKGOXZVVOWEGJ-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131686760 533693340 /nfs/dbraw/zinc/69/33/40/533693340.db2.gz MJAPZFGMCPTSLS-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000422863575 293097519 /nfs/dbraw/zinc/09/75/19/293097519.db2.gz SASCOODHKBWDHF-NEPJUHHUSA-N 2 0 299.484 2.845 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423403120 293440528 /nfs/dbraw/zinc/44/05/28/293440528.db2.gz YEYQSQAHLFPCDH-SUZMYJTESA-N 2 0 265.426 2.559 20 0 CFADRP Cn1cccc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271353513 294388681 /nfs/dbraw/zinc/38/86/81/294388681.db2.gz YXDOIKHMPANZGT-HOCLYGCPSA-N 2 0 261.413 2.646 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCC[NH2+]C2)cc1F ZINC000414841999 295136458 /nfs/dbraw/zinc/13/64/58/295136458.db2.gz ZVOLUMKBYPBNNG-HIFRSBDPSA-N 2 0 294.414 2.602 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000333256486 295209315 /nfs/dbraw/zinc/20/93/15/295209315.db2.gz ICMZGXJFGKETSC-ARFHVFGLSA-N 2 0 279.472 2.548 20 0 CFADRP COc1ccc([C@@H]2CCCCC[N@@H+]2CCC[NH3+])cc1 ZINC000414685094 295220423 /nfs/dbraw/zinc/22/04/23/295220423.db2.gz XWEBSQHFDUXLIE-INIZCTEOSA-N 2 0 262.397 2.961 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423454282 295236882 /nfs/dbraw/zinc/23/68/82/295236882.db2.gz CGXKLZWBOQXCFP-KCQAQPDRSA-N 2 0 292.423 2.872 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)c1OC ZINC000423361935 295237552 /nfs/dbraw/zinc/23/75/52/295237552.db2.gz HDLURPLHFGWIOX-MELADBBJSA-N 2 0 292.423 2.933 20 0 CFADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCC[NH3+])cc1F ZINC000423184328 295248089 /nfs/dbraw/zinc/24/80/89/295248089.db2.gz IINJKGCDZLUTEX-UKRRQHHQSA-N 2 0 280.387 2.799 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422754451 295250792 /nfs/dbraw/zinc/25/07/92/295250792.db2.gz FXHJHPSYHUCYNP-BLLLJJGKSA-N 2 0 289.398 2.957 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000333304533 295275460 /nfs/dbraw/zinc/27/54/60/295275460.db2.gz QPOIPRFOXAJEMV-NNPSNHGLSA-N 3 0 293.499 2.652 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000333244908 295306474 /nfs/dbraw/zinc/30/64/74/295306474.db2.gz FOFVFAVCKKWPNC-OAGGEKHMSA-N 2 0 259.397 2.782 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@H]21 ZINC000420301942 295309447 /nfs/dbraw/zinc/30/94/47/295309447.db2.gz FMETVZSYSLUMPM-IJLUTSLNSA-N 2 0 264.335 2.778 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423099043 295332811 /nfs/dbraw/zinc/33/28/11/295332811.db2.gz ACDXHNAEVYZPIC-QWRGUYRKSA-N 2 0 264.335 2.969 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340185216 297227950 /nfs/dbraw/zinc/22/79/50/297227950.db2.gz JCBUHGBDONMQCG-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353400213 298317247 /nfs/dbraw/zinc/31/72/47/298317247.db2.gz DXBPKCLQFQTKGO-TUVASFSCSA-N 2 0 296.455 2.569 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000423058324 298393108 /nfs/dbraw/zinc/39/31/08/298393108.db2.gz JJHRXRAECLTTLS-RISCZKNCSA-N 2 0 266.360 2.756 20 0 CFADRP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154890212 301229505 /nfs/dbraw/zinc/22/95/05/301229505.db2.gz KOXQZMZNRKMQKA-DLBZAZTESA-N 2 0 289.467 2.590 20 0 CFADRP Cc1c[nH+]ccc1N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488764445 302387169 /nfs/dbraw/zinc/38/71/69/302387169.db2.gz LRYKAXKVEANEGU-DVOMOZLQSA-N 2 0 259.397 2.557 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000423096708 302588859 /nfs/dbraw/zinc/58/88/59/302588859.db2.gz IDHXKFASYGLPBH-OBJOEFQTSA-N 2 0 261.413 2.936 20 0 CFADRP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000420415243 302886736 /nfs/dbraw/zinc/88/67/36/302886736.db2.gz UXTOYGMOURUROV-KCXAZCMYSA-N 2 0 294.826 2.759 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423458833 303365056 /nfs/dbraw/zinc/36/50/56/303365056.db2.gz KKFIEGNHKIOWKH-HSUOPHGGSA-N 2 0 292.467 2.687 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423316502 303375590 /nfs/dbraw/zinc/37/55/90/303375590.db2.gz BSSLLRGLMHICJN-HOTGVXAUSA-N 2 0 296.842 2.759 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000236213162 303375597 /nfs/dbraw/zinc/37/55/97/303375597.db2.gz WVLATYNRDIYSBA-CYBMUJFWSA-N 2 0 283.213 2.765 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000423335748 303375737 /nfs/dbraw/zinc/37/57/37/303375737.db2.gz UELVFJANRCAIGV-HZPDHXFCSA-N 2 0 280.387 2.764 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000089147611 303406929 /nfs/dbraw/zinc/40/69/29/303406929.db2.gz AJQSXZSTVMSZAB-IRXDYDNUSA-N 2 0 293.499 2.892 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCc2ccccc21 ZINC000422807419 303406934 /nfs/dbraw/zinc/40/69/34/303406934.db2.gz OVPBWOOVRZKKMO-UXLLHSPISA-N 2 0 258.409 2.824 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453154692 304836277 /nfs/dbraw/zinc/83/62/77/304836277.db2.gz AIEJJWSCKMSWRG-KZNAEPCWSA-N 2 0 292.467 2.533 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423542736 304858530 /nfs/dbraw/zinc/85/85/30/304858530.db2.gz MQTDELNPPHDUQT-HWMZRRJGSA-N 2 0 286.419 2.878 20 0 CFADRP Cn1cccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000161582856 322353954 /nfs/dbraw/zinc/35/39/54/322353954.db2.gz YEHJZUYFACPMRT-UHFFFAOYSA-N 2 0 283.419 2.911 20 0 CFADRP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cscn1 ZINC000162371339 322363938 /nfs/dbraw/zinc/36/39/38/322363938.db2.gz HBMGWBJPXLDDPV-NWDGAFQWSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164624881 322383359 /nfs/dbraw/zinc/38/33/59/322383359.db2.gz GJBUDULUTJGJLP-KZNAEPCWSA-N 3 0 295.515 2.961 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cc[nH]c(=O)c1 ZINC000569670045 322488338 /nfs/dbraw/zinc/48/83/38/322488338.db2.gz MJPPZZBWFJABSU-ZDUSSCGKSA-N 2 0 298.390 2.502 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000570044195 322511047 /nfs/dbraw/zinc/51/10/47/322511047.db2.gz AKXHEGQKSXWHPW-UONOGXRCSA-N 2 0 299.418 2.973 20 0 CFADRP CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc21 ZINC000570175750 322518487 /nfs/dbraw/zinc/51/84/87/322518487.db2.gz LHGMXTQUHMNVCS-YCPHGPKFSA-N 2 0 273.424 2.817 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)n1 ZINC000571145539 322571679 /nfs/dbraw/zinc/57/16/79/322571679.db2.gz BFRQUTXSCVLUKR-LLVKDONJSA-N 2 0 281.363 2.592 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC2(O)CCCC2)C1 ZINC000571432830 322583298 /nfs/dbraw/zinc/58/32/98/322583298.db2.gz WKARSAGMHFHRFJ-HZPDHXFCSA-N 2 0 282.472 2.639 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000571701108 322593007 /nfs/dbraw/zinc/59/30/07/322593007.db2.gz FZAHNGQIIKJONU-HEHGZKQESA-N 2 0 295.858 2.802 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000571731650 322594002 /nfs/dbraw/zinc/59/40/02/322594002.db2.gz BZFJOKANDQTRNP-YJNKXOJESA-N 2 0 270.461 2.898 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]CC)C1(C)C ZINC000572111810 322607752 /nfs/dbraw/zinc/60/77/52/322607752.db2.gz UZDSHEJATCZGQJ-ZIAGYGMSSA-N 2 0 256.434 2.559 20 0 CFADRP CN(CCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000572900127 322636324 /nfs/dbraw/zinc/63/63/24/322636324.db2.gz WNDZTEWGQPBDPT-HZPDHXFCSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000573474118 322657683 /nfs/dbraw/zinc/65/76/83/322657683.db2.gz NXDGRSKJWNTJQQ-CQSZACIVSA-N 2 0 284.407 2.523 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000573590010 322662081 /nfs/dbraw/zinc/66/20/81/322662081.db2.gz VYGBTSWBVGSLHA-CQSZACIVSA-N 2 0 276.424 2.561 20 0 CFADRP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(C)C ZINC000573772642 322668082 /nfs/dbraw/zinc/66/80/82/322668082.db2.gz SPLMLFZUCWISID-ROUUACIJSA-N 2 0 296.499 2.740 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000574382296 322690876 /nfs/dbraw/zinc/69/08/76/322690876.db2.gz XWQFPZRNDDWTQJ-HAQNSBGRSA-N 2 0 268.351 2.820 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1(C)C ZINC000574452751 322693047 /nfs/dbraw/zinc/69/30/47/322693047.db2.gz ONMZIPSJWBNSIB-JKSUJKDBSA-N 2 0 276.424 2.827 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(C(C)C)cc1 ZINC000575795077 322729620 /nfs/dbraw/zinc/72/96/20/322729620.db2.gz KONZECFRGFYCKW-KRWDZBQOSA-N 2 0 278.440 2.696 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C)C)C1(C)C ZINC000181392848 323810271 /nfs/dbraw/zinc/81/02/71/323810271.db2.gz RCHAFGRGLWUIBB-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@H](C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000188081884 324008159 /nfs/dbraw/zinc/00/81/59/324008159.db2.gz XZZLUYZCQMSGAO-HZPDHXFCSA-N 2 0 278.440 2.769 20 0 CFADRP Cc1c[nH+]ccc1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000191977850 324056226 /nfs/dbraw/zinc/05/62/26/324056226.db2.gz NTDVDVKEQSSXHD-KBPBESRZSA-N 2 0 277.412 2.690 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccnn1C ZINC000192634370 324062633 /nfs/dbraw/zinc/06/26/33/324062633.db2.gz SSQXMNMGWZCVPO-OAHLLOKOSA-N 2 0 298.434 2.867 20 0 CFADRP c1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000211349257 324110742 /nfs/dbraw/zinc/11/07/42/324110742.db2.gz DFHXJRHRJVLBFN-UHFFFAOYSA-N 2 0 278.399 2.891 20 0 CFADRP CC/C=C\CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000342247618 324126607 /nfs/dbraw/zinc/12/66/07/324126607.db2.gz LLYCKAKKYNOPIX-OSFIAYCASA-N 2 0 293.499 2.833 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])COCc1ccccc1 ZINC000389954903 324522732 /nfs/dbraw/zinc/52/27/32/324522732.db2.gz VYQXCXXIDFJRET-OIISXLGYSA-N 2 0 276.424 2.556 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000576598113 324636279 /nfs/dbraw/zinc/63/62/79/324636279.db2.gz FWAANSDXCSLGCH-IAGOWNOFSA-N 3 0 281.488 2.604 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000577730907 324772680 /nfs/dbraw/zinc/77/26/80/324772680.db2.gz CDHYXAOINMWYBB-QGZVFWFLSA-N 2 0 282.387 2.931 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000577851317 324787368 /nfs/dbraw/zinc/78/73/68/324787368.db2.gz SKYABGLRURTKMZ-VPOLOUISSA-N 2 0 252.324 2.823 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000578348896 324842400 /nfs/dbraw/zinc/84/24/00/324842400.db2.gz ZFZVWZBZWWXXMV-RNONSGAXSA-N 2 0 296.418 2.605 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cscn1 ZINC000578617348 324870408 /nfs/dbraw/zinc/87/04/08/324870408.db2.gz DYDXXWPCWKUEJB-IJLUTSLNSA-N 2 0 253.415 2.559 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(F)cc21 ZINC000579613115 324966302 /nfs/dbraw/zinc/96/63/02/324966302.db2.gz GCCAFLBZSNIIPE-HUUCEWRRSA-N 2 0 289.398 2.719 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccc(F)cc21 ZINC000579613116 324966452 /nfs/dbraw/zinc/96/64/52/324966452.db2.gz GCCAFLBZSNIIPE-LSDHHAIUSA-N 2 0 289.398 2.719 20 0 CFADRP Cc1ccnc([C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000580090931 325006947 /nfs/dbraw/zinc/00/69/47/325006947.db2.gz KLAFZZQGCDOHNC-HOTGVXAUSA-N 2 0 273.424 2.664 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccoc2)CC[NH+](C)CC1 ZINC000580135742 325009635 /nfs/dbraw/zinc/00/96/35/325009635.db2.gz PJONFTYBEUZHPJ-LBPRGKRZSA-N 2 0 268.426 2.758 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)c1 ZINC000580311410 325024961 /nfs/dbraw/zinc/02/49/61/325024961.db2.gz DTPCGZOWVTYMIF-SFHVURJKSA-N 2 0 288.435 2.606 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c(F)c1 ZINC000580319092 325025692 /nfs/dbraw/zinc/02/56/92/325025692.db2.gz VNVRJBPTBLSDQX-CYBMUJFWSA-N 2 0 289.354 2.557 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000580392165 325031015 /nfs/dbraw/zinc/03/10/15/325031015.db2.gz BYMMOSOLSZBNEW-OAHLLOKOSA-N 2 0 270.486 2.792 20 0 CFADRP Cc1ncc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)n1C ZINC000580660876 325054729 /nfs/dbraw/zinc/05/47/29/325054729.db2.gz WSKJOGDGMRIRHH-ZFWWWQNUSA-N 2 0 279.428 2.659 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581012575 325082907 /nfs/dbraw/zinc/08/29/07/325082907.db2.gz YZEADQQSXZCRBM-SFHVURJKSA-N 2 0 288.435 2.839 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000581166366 325095989 /nfs/dbraw/zinc/09/59/89/325095989.db2.gz YOSJXWMGUNURBV-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000581179373 325097338 /nfs/dbraw/zinc/09/73/38/325097338.db2.gz YYOIQJOBFTXOTE-ZWNOBZJWSA-N 2 0 254.324 2.572 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000581337232 325112077 /nfs/dbraw/zinc/11/20/77/325112077.db2.gz ARPPSAFLWHWXFK-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581357422 325113815 /nfs/dbraw/zinc/11/38/15/325113815.db2.gz LDPJVPIOOIPERJ-MFKMUULPSA-N 2 0 254.324 2.712 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CC2(O)CCC(C)CC2)C1 ZINC000581365321 325114661 /nfs/dbraw/zinc/11/46/61/325114661.db2.gz MZTPQKKIBQKOOY-CGZBRXJRSA-N 2 0 282.472 2.638 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000581558352 325132203 /nfs/dbraw/zinc/13/22/03/325132203.db2.gz NIWQFZTYYCQFOL-CQSZACIVSA-N 2 0 291.439 2.863 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000581601812 325135717 /nfs/dbraw/zinc/13/57/17/325135717.db2.gz BTIKYPOMYKQVDJ-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581720258 325145448 /nfs/dbraw/zinc/14/54/48/325145448.db2.gz BDIOBKOEAUSUNW-HOTGVXAUSA-N 2 0 276.424 2.822 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582304567 325193888 /nfs/dbraw/zinc/19/38/88/325193888.db2.gz UMWLQKIAMUQXPN-OVWQWFNUSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000582414370 325203001 /nfs/dbraw/zinc/20/30/01/325203001.db2.gz CILFUYFNXHKFAK-GHMZBOCLSA-N 2 0 252.427 2.842 20 0 CFADRP C[N@H+](CCOc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582425595 325204153 /nfs/dbraw/zinc/20/41/53/325204153.db2.gz DXOXTUNHKHUYFN-UHFFFAOYSA-N 2 0 296.414 2.843 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(Cl)cc1 ZINC000582600692 325218159 /nfs/dbraw/zinc/21/81/59/325218159.db2.gz VXSASOXNBFYNHZ-HUUCEWRRSA-N 2 0 282.815 2.968 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000582617747 325220824 /nfs/dbraw/zinc/22/08/24/325220824.db2.gz YBDOQXBDUUUUPE-HRCADAONSA-N 2 0 295.858 2.802 20 0 CFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582693380 325226170 /nfs/dbraw/zinc/22/61/70/325226170.db2.gz XYBKKJBYWNUUEN-XOYOTBSWSA-N 2 0 288.435 2.664 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cc(N)ccc2O1 ZINC000582772985 325232939 /nfs/dbraw/zinc/23/29/39/325232939.db2.gz MFZXUOGTSHESRK-UKRRQHHQSA-N 2 0 289.423 2.603 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2Cc3ccccc3C2)CC1 ZINC000582996979 325251039 /nfs/dbraw/zinc/25/10/39/325251039.db2.gz XXRJJVYGVBXWQM-GOSISDBHSA-N 2 0 272.436 2.818 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000583078360 325258001 /nfs/dbraw/zinc/25/80/01/325258001.db2.gz VNFVAFNOEPAMHA-NSHDSACASA-N 2 0 273.424 2.936 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000583080024 325258244 /nfs/dbraw/zinc/25/82/44/325258244.db2.gz VSUXZKRRMRRKFF-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)C1 ZINC000583093920 325260268 /nfs/dbraw/zinc/26/02/68/325260268.db2.gz FWDMZBPQVUEDAK-HUUCEWRRSA-N 2 0 289.423 2.763 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000583392008 325283977 /nfs/dbraw/zinc/28/39/77/325283977.db2.gz QPABLBBRSANPFX-HRCADAONSA-N 2 0 295.496 2.991 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000583450825 325288881 /nfs/dbraw/zinc/28/88/81/325288881.db2.gz BKYSVSPVQABIKZ-RBSFLKMASA-N 2 0 282.815 2.887 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]C2(c3ccccc3)CCOCC2)CC[NH2+]1 ZINC000583740564 325307191 /nfs/dbraw/zinc/30/71/91/325307191.db2.gz YVLDUNIJMKXGSU-JKSUJKDBSA-N 2 0 288.435 2.670 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583950595 325321116 /nfs/dbraw/zinc/32/11/16/325321116.db2.gz KCVBNWOITJUULQ-YYIAUSFCSA-N 2 0 282.472 2.900 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OC(C)C ZINC000584166933 325334953 /nfs/dbraw/zinc/33/49/53/325334953.db2.gz RCHXZFSCGLKYTQ-CHWSQXEVSA-N 2 0 280.412 2.698 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OC(C)C ZINC000584166934 325335327 /nfs/dbraw/zinc/33/53/27/325335327.db2.gz RCHXZFSCGLKYTQ-OLZOCXBDSA-N 2 0 280.412 2.698 20 0 CFADRP CCc1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000584236197 325340307 /nfs/dbraw/zinc/34/03/07/325340307.db2.gz WRZNNVOHLZTNSL-DLBZAZTESA-N 2 0 258.409 2.965 20 0 CFADRP CCc1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000584236199 325340450 /nfs/dbraw/zinc/34/04/50/325340450.db2.gz WRZNNVOHLZTNSL-IRXDYDNUSA-N 2 0 258.409 2.965 20 0 CFADRP CCCC[N@H+](CCOC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000584296693 325344498 /nfs/dbraw/zinc/34/44/98/325344498.db2.gz DMANELTXJSEOLX-UHFFFAOYSA-N 2 0 276.424 2.581 20 0 CFADRP CCCC1CCC([NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106484773 330338535 /nfs/dbraw/zinc/33/85/35/330338535.db2.gz DHUQPPYFPSKATD-GTPINHCMSA-N 2 0 281.488 2.571 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423317024 533710850 /nfs/dbraw/zinc/71/08/50/533710850.db2.gz BDMXOXLXGJZCQA-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP CC(C)C[C@@]1(CO)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000191671930 519286745 /nfs/dbraw/zinc/28/67/45/519286745.db2.gz RPLWRFJWIWKMQW-QGZVFWFLSA-N 2 0 282.472 2.735 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000423439619 500870795 /nfs/dbraw/zinc/87/07/95/500870795.db2.gz SNUFWRGVVDESLT-DISOXQEGSA-N 2 0 282.497 2.886 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423176513 533755993 /nfs/dbraw/zinc/75/59/93/533755993.db2.gz GGHUDZUCDORFIS-NQZOLGFYSA-N 2 0 274.408 2.529 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000414831930 533761860 /nfs/dbraw/zinc/76/18/60/533761860.db2.gz QJYCDUWWEOFYBK-JFIYKMOQSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000414860409 533788052 /nfs/dbraw/zinc/78/80/52/533788052.db2.gz VHGIEUKCXYHUAS-ISDWUYEVSA-N 2 0 280.362 2.956 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000422882103 533797132 /nfs/dbraw/zinc/79/71/32/533797132.db2.gz PAFLYZUBEJYPGV-MHORFTMASA-N 3 0 295.515 2.852 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414832655 533812718 /nfs/dbraw/zinc/81/27/18/533812718.db2.gz FKHWVCUUSDSHAC-MNOVXSKESA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc2c(s1)CCC2 ZINC000423327459 533835366 /nfs/dbraw/zinc/83/53/66/533835366.db2.gz NEJFAWNWEGWKTA-JTQLQIEISA-N 2 0 250.411 2.769 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422859555 533845118 /nfs/dbraw/zinc/84/51/18/533845118.db2.gz KIXBIOVCKGCOTI-OAHLLOKOSA-N 2 0 286.423 2.522 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000422713879 533845438 /nfs/dbraw/zinc/84/54/38/533845438.db2.gz KKIPYCGQCHXFQE-HUUCEWRRSA-N 2 0 275.440 2.545 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000422899858 533845995 /nfs/dbraw/zinc/84/59/95/533845995.db2.gz PIOSKCCAWFFCNT-CABCVRRESA-N 2 0 293.430 2.759 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccc(F)cc1 ZINC000422778185 533846401 /nfs/dbraw/zinc/84/64/01/533846401.db2.gz AJHFKHUDHDDBMN-OLZOCXBDSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000415022450 533846781 /nfs/dbraw/zinc/84/67/81/533846781.db2.gz ZLUGLSFUPYXAQY-CYBMUJFWSA-N 2 0 272.396 2.684 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)Oc1ccc(F)cc1 ZINC000422778184 533844418 /nfs/dbraw/zinc/84/44/18/533844418.db2.gz AJHFKHUDHDDBMN-CHWSQXEVSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423512558 533851342 /nfs/dbraw/zinc/85/13/42/533851342.db2.gz OORQQRBLACKTDS-ZBFHGGJFSA-N 3 0 263.429 2.574 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CCCc1cccnc1 ZINC000423168685 533851349 /nfs/dbraw/zinc/85/13/49/533851349.db2.gz HVOSAXFHVXOORR-HUUCEWRRSA-N 2 0 263.429 2.900 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](CN(C)C)c1ccc(F)cc1 ZINC000423101909 533852794 /nfs/dbraw/zinc/85/27/94/533852794.db2.gz DOINMUJNQHLLEI-CZUORRHYSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422786099 533868958 /nfs/dbraw/zinc/86/89/58/533868958.db2.gz OLMYTNZSOZFFBR-CABCVRRESA-N 2 0 264.413 2.871 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000422762420 533869765 /nfs/dbraw/zinc/86/97/65/533869765.db2.gz NTXIHMGUGQWXSP-MGPQQGTHSA-N 2 0 256.434 2.545 20 0 CFADRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1C ZINC000415074970 533871006 /nfs/dbraw/zinc/87/10/06/533871006.db2.gz DGYQRVRDTFPHLG-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OC(C)C ZINC000414825513 533878063 /nfs/dbraw/zinc/87/80/63/533878063.db2.gz CJZWMRAHAPZKJE-CQSZACIVSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000423453918 533882997 /nfs/dbraw/zinc/88/29/97/533882997.db2.gz BLGQAGLOMIEXPR-YWPYICTPSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000423453919 533886053 /nfs/dbraw/zinc/88/60/53/533886053.db2.gz BLGQAGLOMIEXPR-ZOWXZIJZSA-N 2 0 250.361 2.994 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414773249 533930288 /nfs/dbraw/zinc/93/02/88/533930288.db2.gz DGHFHCCXZITGOC-IRXDYDNUSA-N 2 0 258.409 2.817 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414797962 533958191 /nfs/dbraw/zinc/95/81/91/533958191.db2.gz IRXHFOPVHCWKPI-PDTSHOSPSA-N 2 0 274.408 2.816 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903465 533959782 /nfs/dbraw/zinc/95/97/82/533959782.db2.gz MBVWTAOFGWZYPR-CTEOGUNLSA-N 2 0 274.408 2.688 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000422841726 533967484 /nfs/dbraw/zinc/96/74/84/533967484.db2.gz WSQTVNMCPOEFEJ-DDBAPUKQSA-N 2 0 287.451 2.509 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422745770 533977052 /nfs/dbraw/zinc/97/70/52/533977052.db2.gz MVAZBTQWGMDBKP-JSGCOSHPSA-N 2 0 258.365 2.958 20 0 CFADRP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422745767 533977603 /nfs/dbraw/zinc/97/76/03/533977603.db2.gz MVAZBTQWGMDBKP-GXTWGEPZSA-N 2 0 258.365 2.958 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827684 533989219 /nfs/dbraw/zinc/98/92/19/533989219.db2.gz HNOBGKSHUQLSGI-UKRRQHHQSA-N 2 0 264.388 2.736 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000422732122 533992464 /nfs/dbraw/zinc/99/24/64/533992464.db2.gz OWVGCXIUQAGDEU-MNOVXSKESA-N 2 0 284.375 2.621 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCCC1 ZINC000422729798 533999463 /nfs/dbraw/zinc/99/94/63/533999463.db2.gz CKONEZHKPILYJR-JKSUJKDBSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccnn1-c1ccccc1 ZINC000423520854 534011097 /nfs/dbraw/zinc/01/10/97/534011097.db2.gz WNGQYMNSUIPKFR-ZNMIVQPWSA-N 2 0 284.407 2.650 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423164424 534015077 /nfs/dbraw/zinc/01/50/77/534015077.db2.gz OOFNLZIRQBDAKV-OLZOCXBDSA-N 2 0 282.403 2.872 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000423166199 534018245 /nfs/dbraw/zinc/01/82/45/534018245.db2.gz QWRXSGREAQIVOJ-DCGLDWPTSA-N 2 0 294.414 2.743 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Cl)cc1 ZINC000422798097 534054308 /nfs/dbraw/zinc/05/43/08/534054308.db2.gz PSAZDSOQRQYBRO-YXQSOJMXSA-N 2 0 294.826 2.980 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414857658 534059064 /nfs/dbraw/zinc/05/90/64/534059064.db2.gz PXWGUCQMCBGMCP-QWHCGFSZSA-N 2 0 250.361 2.518 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423221283 534064663 /nfs/dbraw/zinc/06/46/63/534064663.db2.gz ZSGKZKQPNPCBQO-BFQNTYOBSA-N 2 0 262.372 2.648 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422920664 534071811 /nfs/dbraw/zinc/07/18/11/534071811.db2.gz MNMWBMKSIDJNFU-MXASKKJJSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000422953813 534073821 /nfs/dbraw/zinc/07/38/21/534073821.db2.gz GNIRVSDIWZOIEX-CHWSQXEVSA-N 2 0 293.480 2.542 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779828 534078750 /nfs/dbraw/zinc/07/87/50/534078750.db2.gz KPFCWQBMOUFQHK-HUUCEWRRSA-N 2 0 274.408 2.517 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)C[NH+](C)C ZINC000425955370 534084474 /nfs/dbraw/zinc/08/44/74/534084474.db2.gz ZESJSOLRSBKHJY-LRDDRELGSA-N 2 0 264.388 2.990 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(OC(C)C)c1 ZINC000422872556 534088666 /nfs/dbraw/zinc/08/86/66/534088666.db2.gz HNRONXWSDJTKCD-CQSZACIVSA-N 2 0 264.413 2.999 20 0 CFADRP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380577 534102592 /nfs/dbraw/zinc/10/25/92/534102592.db2.gz KYUCBXFEIXLKQD-INIZCTEOSA-N 2 0 289.467 2.705 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414907309 534103331 /nfs/dbraw/zinc/10/33/31/534103331.db2.gz QGZKTYWAVTYRTP-CQSZACIVSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422770524 534105456 /nfs/dbraw/zinc/10/54/56/534105456.db2.gz QEZKYNIRROKOOJ-CQSZACIVSA-N 2 0 266.454 2.945 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414845406 534117461 /nfs/dbraw/zinc/11/74/61/534117461.db2.gz DILCQYPJORDLPY-DZKIICNBSA-N 2 0 276.424 2.604 20 0 CFADRP COC(=O)c1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414811192 534141546 /nfs/dbraw/zinc/14/15/46/534141546.db2.gz PCPIRAXZASEJNV-ZDUSSCGKSA-N 2 0 298.386 2.783 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414818744 534174074 /nfs/dbraw/zinc/17/40/74/534174074.db2.gz FVCPLJKYJMWDSU-JTQLQIEISA-N 2 0 278.787 2.557 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423100677 534179011 /nfs/dbraw/zinc/17/90/11/534179011.db2.gz VLBXTPFKAONEBT-YQFWSFKMSA-N 2 0 260.425 2.971 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])co2)cc1 ZINC000422878207 534213844 /nfs/dbraw/zinc/21/38/44/534213844.db2.gz JLQJHZNRUXOWEY-RDJZCZTQSA-N 2 0 299.418 2.910 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414832622 534253439 /nfs/dbraw/zinc/25/34/39/534253439.db2.gz QXNSAXIMYCDBJY-YXQSOJMXSA-N 2 0 262.372 2.629 20 0 CFADRP Brc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000168731161 518212039 /nfs/dbraw/zinc/21/20/39/518212039.db2.gz ZDVLGTOYSLQNMF-VIFPVBQESA-N 2 0 289.242 2.742 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000311258499 518374581 /nfs/dbraw/zinc/37/45/81/518374581.db2.gz LRPAWCPRSHOGMC-YFKBFVAJSA-N 2 0 256.393 2.916 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423136203 534349929 /nfs/dbraw/zinc/34/99/29/534349929.db2.gz UWGRFXXOQYHCIZ-SECBINFHSA-N 2 0 269.339 2.545 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423112878 534377931 /nfs/dbraw/zinc/37/79/31/534377931.db2.gz SPCZJDJAGSZDDP-GRYCIOLGSA-N 2 0 276.346 2.839 20 0 CFADRP FC(F)(F)Oc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414830006 534407394 /nfs/dbraw/zinc/40/73/94/534407394.db2.gz LMMFGYOBXMWNJI-NSHDSACASA-N 2 0 288.313 2.674 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000157344999 519229521 /nfs/dbraw/zinc/22/95/21/519229521.db2.gz CGTGEEGXEJCXNW-INIZCTEOSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(-c2sccc2C[NH+](C)C)n1 ZINC000339394367 519373510 /nfs/dbraw/zinc/37/35/10/519373510.db2.gz ISSDZJAUNAZHLU-NSHDSACASA-N 2 0 294.424 2.906 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1 ZINC000232622530 519410744 /nfs/dbraw/zinc/41/07/44/519410744.db2.gz FNFJRWRZOPYPJV-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP Fc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1Cl ZINC000414828448 534441011 /nfs/dbraw/zinc/44/10/11/534441011.db2.gz IWWPSXVGKJRNCV-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000338434318 519641153 /nfs/dbraw/zinc/64/11/53/519641153.db2.gz AEGFNFAWHOOFFT-DLBZAZTESA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363795029 519663974 /nfs/dbraw/zinc/66/39/74/519663974.db2.gz XOXAXIFRKGFYAZ-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000191466192 519681412 /nfs/dbraw/zinc/68/14/12/519681412.db2.gz IKJNGSLDWXLSHP-UHFFFAOYSA-N 2 0 293.499 2.523 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000353401264 519717529 /nfs/dbraw/zinc/71/75/29/519717529.db2.gz HACHFKGRIDMRND-UHFFFAOYSA-N 2 0 289.423 2.607 20 0 CFADRP CC(C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380892 519727598 /nfs/dbraw/zinc/72/75/98/519727598.db2.gz QQDMYUKYJBROOD-GJZGRUSLSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173869788 519762474 /nfs/dbraw/zinc/76/24/74/519762474.db2.gz DFWDZQFRQRJJJI-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173869806 519762540 /nfs/dbraw/zinc/76/25/40/519762540.db2.gz DFWDZQFRQRJJJI-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)[C@@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000227573491 519794937 /nfs/dbraw/zinc/79/49/37/519794937.db2.gz ANEOAVGXYWSCSB-FGTMMUONSA-N 2 0 295.515 2.674 20 0 CFADRP Cc1ccoc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423123931 534449713 /nfs/dbraw/zinc/44/97/13/534449713.db2.gz FRWULHRZHHDDFX-LLVKDONJSA-N 2 0 259.353 2.601 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000079978541 519816125 /nfs/dbraw/zinc/81/61/25/519816125.db2.gz UMLJZNDVJJLMEX-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000157286370 519816207 /nfs/dbraw/zinc/81/62/07/519816207.db2.gz HYTYKGRMPLZFPU-BZSNNMDCSA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305114238 519829687 /nfs/dbraw/zinc/82/96/87/519829687.db2.gz HFYNSSWEDXPJQU-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CCC(C)C)CC1 ZINC000361302564 519844177 /nfs/dbraw/zinc/84/41/77/519844177.db2.gz ZNOACQJNLVORPZ-MRXNPFEDSA-N 2 0 270.461 2.590 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000070347254 519847202 /nfs/dbraw/zinc/84/72/02/519847202.db2.gz YNBCPVFIXIAGBA-HZPDHXFCSA-N 2 0 268.445 2.654 20 0 CFADRP CCC1CCC(C[NH2+][C@H](CCC[NH3+])COC)CC1 ZINC000232884569 519852088 /nfs/dbraw/zinc/85/20/88/519852088.db2.gz KGEAMLYUQCFBLU-YMAMQOFZSA-N 2 0 256.434 2.546 20 0 CFADRP CC(C)n1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000230695932 519955581 /nfs/dbraw/zinc/95/55/81/519955581.db2.gz FAMWDVHRYDKHMV-MQVJKMGUSA-N 2 0 276.428 2.569 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309807064 520139569 /nfs/dbraw/zinc/13/95/69/520139569.db2.gz UWOUPPASAMUJFK-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP CCOC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000233790404 520152341 /nfs/dbraw/zinc/15/23/41/520152341.db2.gz PNOVKWIWZDUYQD-PMPSAXMXSA-N 2 0 270.461 2.948 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc2n1 ZINC000097861558 534469744 /nfs/dbraw/zinc/46/97/44/534469744.db2.gz AJIIFNPWHMRMBW-CYBMUJFWSA-N 2 0 271.408 2.973 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)CC1 ZINC000191788433 520272317 /nfs/dbraw/zinc/27/23/17/520272317.db2.gz SZQZUGKFAWJYNS-MRXNPFEDSA-N 2 0 270.461 2.999 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1(C)C ZINC000246919835 520368384 /nfs/dbraw/zinc/36/83/84/520368384.db2.gz MRBPSQCXHNQIFZ-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000052208683 520399685 /nfs/dbraw/zinc/39/96/85/520399685.db2.gz IMVBNHKCGUUSNK-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C12CCC2 ZINC000224589950 520423955 /nfs/dbraw/zinc/42/39/55/520423955.db2.gz GPDNHLIKDWRKMT-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP CCCOc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228409790 520454505 /nfs/dbraw/zinc/45/45/05/520454505.db2.gz NWULKBIIPXENNA-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000334879416 520499104 /nfs/dbraw/zinc/49/91/04/520499104.db2.gz BUSBNALTEKCKES-MRXNPFEDSA-N 2 0 269.392 2.713 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCCC2 ZINC000085677621 520548493 /nfs/dbraw/zinc/54/84/93/520548493.db2.gz DYJPAARSWWBFPS-CABCVRRESA-N 2 0 282.472 2.902 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423257155 534501989 /nfs/dbraw/zinc/50/19/89/534501989.db2.gz HUJLERBMCKYYGJ-WBMJQRKESA-N 2 0 262.372 2.792 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423473893 534502379 /nfs/dbraw/zinc/50/23/79/534502379.db2.gz GYJDACRGHFBXLT-HOCLYGCPSA-N 2 0 262.372 2.935 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@H]1C ZINC000361174974 520583780 /nfs/dbraw/zinc/58/37/80/520583780.db2.gz KCQDYSISOISZPX-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC(OC)C1 ZINC000220830638 520759883 /nfs/dbraw/zinc/75/98/83/520759883.db2.gz FQPGICVPBZZNHS-UHFFFAOYSA-N 2 0 276.424 2.795 20 0 CFADRP CC1CC[NH+](CCN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000340817578 521008477 /nfs/dbraw/zinc/00/84/77/521008477.db2.gz HSHFQHFIJAZJGA-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP CC1CC[NH+](CCCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000157279455 521008525 /nfs/dbraw/zinc/00/85/25/521008525.db2.gz JURCRWAYEARUAB-QZTJIDSGSA-N 2 0 287.451 2.843 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1C ZINC000157966329 521086075 /nfs/dbraw/zinc/08/60/75/521086075.db2.gz SJVYDUGPHIAXOE-IRXDYDNUSA-N 2 0 289.467 2.751 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000165313202 521198614 /nfs/dbraw/zinc/19/86/14/521198614.db2.gz LXILDIFFKQRKGI-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP [NH3+]C1(C[NH2+]Cc2cccc3cccnc32)CCCCC1 ZINC000414847349 534549808 /nfs/dbraw/zinc/54/98/08/534549808.db2.gz UONSWMFLAJOBEP-UHFFFAOYSA-N 2 0 269.392 2.986 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000361888541 521643542 /nfs/dbraw/zinc/64/35/42/521643542.db2.gz KUROVRHUEBSOHT-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CCC[NH+](CCC)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192815073 521647087 /nfs/dbraw/zinc/64/70/87/521647087.db2.gz LEFGJEQTBPNUTH-ALOPSCKCSA-N 2 0 281.488 2.713 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]CCC2CCCCC2)CC1 ZINC000361595303 521682079 /nfs/dbraw/zinc/68/20/79/521682079.db2.gz UOFHKQPVRZACLM-UHFFFAOYSA-N 2 0 281.488 2.574 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccncc2)C[C@H]1C ZINC000360456610 521713435 /nfs/dbraw/zinc/71/34/35/521713435.db2.gz SDZIYMZMWDWVLE-NVXWUHKLSA-N 2 0 275.440 2.819 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC000050576481 521717173 /nfs/dbraw/zinc/71/71/73/521717173.db2.gz UEZZBMKMKDDACX-CYBMUJFWSA-N 2 0 250.361 2.566 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)C1 ZINC000360414675 521717570 /nfs/dbraw/zinc/71/75/70/521717570.db2.gz RSYKEDKMRSLQJW-OGHNNQOOSA-N 2 0 276.399 2.990 20 0 CFADRP CC[C@H](C)[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305168289 521880167 /nfs/dbraw/zinc/88/01/67/521880167.db2.gz ZAIIKAMCBQAYAZ-YOEHRIQHSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000339884246 521909108 /nfs/dbraw/zinc/90/91/08/521909108.db2.gz LNHJNEULDZMSTF-UHFFFAOYSA-N 2 0 294.358 2.648 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414911697 534604905 /nfs/dbraw/zinc/60/49/05/534604905.db2.gz SUSFXXNNDLAIHX-UHFFFAOYSA-N 2 0 263.772 2.717 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423316506 534605558 /nfs/dbraw/zinc/60/55/58/534605558.db2.gz BSSLLRGLMHICJN-JKSUJKDBSA-N 2 0 296.842 2.759 20 0 CFADRP [NH3+]CCCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000423329212 534607225 /nfs/dbraw/zinc/60/72/25/534607225.db2.gz OGIHZDKVYNTVNM-MRXNPFEDSA-N 2 0 291.345 2.778 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000361131412 522089707 /nfs/dbraw/zinc/08/97/07/522089707.db2.gz JCTXJUDMEQJMQG-ZFWWWQNUSA-N 2 0 261.413 2.779 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000234731261 522288259 /nfs/dbraw/zinc/28/82/59/522288259.db2.gz QMUZZJUGXUUCJM-CYBMUJFWSA-N 2 0 290.329 2.549 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173787094 522289447 /nfs/dbraw/zinc/28/94/47/522289447.db2.gz HECHIFVLXNUNOI-MRXNPFEDSA-N 2 0 287.451 2.670 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433344 522290967 /nfs/dbraw/zinc/29/09/67/522290967.db2.gz OFSPZZNXCSWZMZ-GOSISDBHSA-N 2 0 287.451 2.670 20 0 CFADRP COC(C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)OC ZINC000161586939 522529190 /nfs/dbraw/zinc/52/91/90/522529190.db2.gz RPUNYNHHRLUOBP-OAHLLOKOSA-N 2 0 298.471 2.582 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309690626 522594648 /nfs/dbraw/zinc/59/46/48/522594648.db2.gz CVHYYFXYLCBQFT-MSOLQXFVSA-N 2 0 290.451 2.913 20 0 CFADRP Clc1cccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428036905 534646818 /nfs/dbraw/zinc/64/68/18/534646818.db2.gz RWBRLGOCVXBWRR-XJKSGUPXSA-N 2 0 294.826 2.793 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H](C)c1ccccc1 ZINC000234785353 522668141 /nfs/dbraw/zinc/66/81/41/522668141.db2.gz SCALZUCMXIJINS-ZBFHGGJFSA-N 2 0 264.413 2.524 20 0 CFADRP C[N@H+](CCCCC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000312225529 522726054 /nfs/dbraw/zinc/72/60/54/522726054.db2.gz DEHRDNKRYYOHTR-SJPCQFCGSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000156233761 522737996 /nfs/dbraw/zinc/73/79/96/522737996.db2.gz XIMMHEGNGJPJSK-YJBOKZPZSA-N 2 0 290.451 2.912 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000195138670 522743151 /nfs/dbraw/zinc/74/31/51/522743151.db2.gz WHDCQWGODSOBBY-WMZOPIPTSA-N 2 0 288.435 2.523 20 0 CFADRP COC(=O)C(C)(C)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000338563849 522754008 /nfs/dbraw/zinc/75/40/08/522754008.db2.gz NXPAPQXEVQEBMU-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)CC(C)(C)C[NH3+] ZINC000309974992 522778123 /nfs/dbraw/zinc/77/81/23/522778123.db2.gz QITGFPMMQGDOGE-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422933845 534662459 /nfs/dbraw/zinc/66/24/59/534662459.db2.gz DZZPIKOUBFTLQT-XYPWUTKMSA-N 2 0 258.409 2.719 20 0 CFADRP CN(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339431668 522838567 /nfs/dbraw/zinc/83/85/67/522838567.db2.gz SFKPDEYUXGTVDP-SFHVURJKSA-N 2 0 287.451 2.541 20 0 CFADRP CCc1oc2ccccc2c1C[NH2+]CCOCC[NH+](C)C ZINC000226744709 523010534 /nfs/dbraw/zinc/01/05/34/523010534.db2.gz WMQVGZWUCOBMMT-UHFFFAOYSA-N 2 0 290.407 2.663 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1 ZINC000339411654 523044525 /nfs/dbraw/zinc/04/45/25/523044525.db2.gz ZWXDBOYZEGRBMJ-PMPSAXMXSA-N 2 0 298.471 2.676 20 0 CFADRP COCc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000088553797 523053808 /nfs/dbraw/zinc/05/38/08/523053808.db2.gz GPMPGYPJEZBQPV-AYHJJNSGSA-N 2 0 288.435 2.938 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])n1 ZINC000423100168 534688479 /nfs/dbraw/zinc/68/84/79/534688479.db2.gz GLXLSSCUGSLGNU-LPHOPBHVSA-N 2 0 297.446 2.871 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423106203 534688697 /nfs/dbraw/zinc/68/86/97/534688697.db2.gz OOQVCJTXUAXRQI-RCCFBDPRSA-N 2 0 287.451 2.833 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH2+]CC1 ZINC000336348558 523275617 /nfs/dbraw/zinc/27/56/17/523275617.db2.gz ULTRHFSNDPRTFJ-UHFFFAOYSA-N 2 0 274.408 2.584 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000193012184 523536300 /nfs/dbraw/zinc/53/63/00/523536300.db2.gz VKTLIGBFHPFRQX-HMQMGEFJSA-N 2 0 292.398 2.728 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423276564 534727744 /nfs/dbraw/zinc/72/77/44/534727744.db2.gz OOZLSMKTAUBSBR-IRXDYDNUSA-N 2 0 260.425 2.889 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000227496881 523753448 /nfs/dbraw/zinc/75/34/48/523753448.db2.gz ISRSTMJTESXVNI-ZNMIVQPWSA-N 2 0 280.456 2.512 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000125449611 523760213 /nfs/dbraw/zinc/76/02/13/523760213.db2.gz PNUXWFYLXVKORF-CQSZACIVSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000078005915 523765086 /nfs/dbraw/zinc/76/50/86/523765086.db2.gz KBGACSIBVVLHSQ-UHFFFAOYSA-N 2 0 288.435 2.832 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000222052877 523765479 /nfs/dbraw/zinc/76/54/79/523765479.db2.gz QRRDQLKDJPOJGF-UHFFFAOYSA-N 2 0 257.381 2.599 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000234336318 523792366 /nfs/dbraw/zinc/79/23/66/523792366.db2.gz MNXRASUDZHYSNW-XDNAFOTISA-N 2 0 294.483 2.876 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000300457628 523792716 /nfs/dbraw/zinc/79/27/16/523792716.db2.gz MNXRASUDZHYSNW-XMTFNYHQSA-N 2 0 294.483 2.876 20 0 CFADRP CO[C@H](C)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000360933399 523875722 /nfs/dbraw/zinc/87/57/22/523875722.db2.gz OGBDLZVXOOTFAI-HUUCEWRRSA-N 2 0 294.439 2.703 20 0 CFADRP Cc1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000414847331 534740839 /nfs/dbraw/zinc/74/08/39/534740839.db2.gz IYXIRGOTIZXXQJ-INIZCTEOSA-N 2 0 298.434 2.660 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1Cl ZINC000086595819 524024454 /nfs/dbraw/zinc/02/44/54/524024454.db2.gz XZYUKKFUMKKFBV-NSHDSACASA-N 2 0 282.815 2.908 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059639673 524052930 /nfs/dbraw/zinc/05/29/30/524052930.db2.gz WDWXCUWEYCLBFK-UHFFFAOYSA-N 2 0 269.458 2.872 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158700264 524148734 /nfs/dbraw/zinc/14/87/34/524148734.db2.gz ZGQHQKDEUSLZPR-TVFCKZIOSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H]1CCC[C@H](CC[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000151513089 524192141 /nfs/dbraw/zinc/19/21/41/524192141.db2.gz XGKBWLCXMGSJFG-DLBZAZTESA-N 2 0 296.499 2.981 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480555 524258966 /nfs/dbraw/zinc/25/89/66/524258966.db2.gz RGNHOFYCXPUILJ-JKSUJKDBSA-N 2 0 260.425 2.918 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)c21 ZINC000422710896 534777374 /nfs/dbraw/zinc/77/73/74/534777374.db2.gz GJWWEHYYRLTCNS-XJKSGUPXSA-N 2 0 285.435 2.997 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000334861385 524440839 /nfs/dbraw/zinc/44/08/39/524440839.db2.gz CVHKPQGXOUKISK-JKSUJKDBSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309983797 524455100 /nfs/dbraw/zinc/45/51/00/524455100.db2.gz WHPFXKIYQPUOLH-FUHWJXTLSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000310323071 524457259 /nfs/dbraw/zinc/45/72/59/524457259.db2.gz ZJOIZKOFRKIVIC-WCQYABFASA-N 2 0 250.411 2.941 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335042710 524529445 /nfs/dbraw/zinc/52/94/45/524529445.db2.gz UUVQAHKINVNEOC-RISCZKNCSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000360976086 524546823 /nfs/dbraw/zinc/54/68/23/524546823.db2.gz RFKWERYPCPGJNG-ZDUSSCGKSA-N 2 0 264.438 2.921 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000157594334 524549177 /nfs/dbraw/zinc/54/91/77/524549177.db2.gz RBNZJTDLCNMCRK-IRXDYDNUSA-N 2 0 292.471 2.906 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000158841187 524549362 /nfs/dbraw/zinc/54/93/62/524549362.db2.gz RUFVEOVNVDVSJH-KRWDZBQOSA-N 2 0 292.471 2.908 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000360702333 524557252 /nfs/dbraw/zinc/55/72/52/524557252.db2.gz IVVVRHSYOZNWST-YOEHRIQHSA-N 2 0 283.419 2.707 20 0 CFADRP Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000228408375 524576037 /nfs/dbraw/zinc/57/60/37/524576037.db2.gz LLMALWDUCOMSRP-UHFFFAOYSA-N 2 0 297.240 2.989 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1F ZINC000335023372 524608939 /nfs/dbraw/zinc/60/89/39/524608939.db2.gz GZEOWGKGFICAQT-DOMZBBRYSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)CC[C@@H]1[NH3+] ZINC000336459769 524620155 /nfs/dbraw/zinc/62/01/55/524620155.db2.gz AXTXKYSIDFOWFF-WFASDCNBSA-N 2 0 274.408 2.569 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000226071270 524644510 /nfs/dbraw/zinc/64/45/10/524644510.db2.gz GMUCOISOJUDGLF-KFWWJZLASA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CCO)C(C)(C)C ZINC000231076692 524645835 /nfs/dbraw/zinc/64/58/35/524645835.db2.gz XQKMILIBHBBUJW-KFWWJZLASA-N 2 0 270.461 2.684 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H](C)CCC[NH3+])CCOCC1 ZINC000422877908 534802593 /nfs/dbraw/zinc/80/25/93/534802593.db2.gz IUQDHNWAHYGVPD-MRXNPFEDSA-N 2 0 290.451 2.760 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc2cccnc12 ZINC000336235395 524704044 /nfs/dbraw/zinc/70/40/44/524704044.db2.gz HLJVDSFICJPTOR-CZUORRHYSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000422912263 534803672 /nfs/dbraw/zinc/80/36/72/534803672.db2.gz VRPJHDFLMANAIK-UONOGXRCSA-N 2 0 281.469 2.894 20 0 CFADRP Cc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cc2cccnc12 ZINC000335171477 524751899 /nfs/dbraw/zinc/75/18/99/524751899.db2.gz KMSRQJMTQXYGLZ-UHFFFAOYSA-N 2 0 269.392 2.775 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1O ZINC000226864632 524783802 /nfs/dbraw/zinc/78/38/02/524783802.db2.gz CRWSELGFNUDKEB-ZFWWWQNUSA-N 2 0 262.397 2.581 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000161614817 524784518 /nfs/dbraw/zinc/78/45/18/524784518.db2.gz YWZZZVUZRIRHNS-YGRLFVJLSA-N 2 0 252.427 2.937 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)ccc2F)CC[N@@H+]1C ZINC000157200135 524803936 /nfs/dbraw/zinc/80/39/36/524803936.db2.gz DOSYEMRGTNJMAI-FZMZJTMJSA-N 2 0 268.351 2.580 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339414954 524860511 /nfs/dbraw/zinc/86/05/11/524860511.db2.gz JXVZLGFQUBURKJ-YOEHRIQHSA-N 2 0 288.435 2.613 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000168632987 524862313 /nfs/dbraw/zinc/86/23/13/524862313.db2.gz RVWQVYOHXAIKGV-YOEHRIQHSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000168321727 524889650 /nfs/dbraw/zinc/88/96/50/524889650.db2.gz OWYIXZTVCZNETI-GXTWGEPZSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192827350 524899028 /nfs/dbraw/zinc/89/90/28/524899028.db2.gz WHICWQXGIUQCJP-WWTUQBGBSA-N 2 0 274.408 2.538 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227376369 524976984 /nfs/dbraw/zinc/97/69/84/524976984.db2.gz MCSCKKWCQHNOGA-SWLSCSKDSA-N 2 0 250.361 2.706 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227376379 524979430 /nfs/dbraw/zinc/97/94/30/524979430.db2.gz MCSCKKWCQHNOGA-WFASDCNBSA-N 2 0 250.361 2.706 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1F ZINC000045663662 525148620 /nfs/dbraw/zinc/14/86/20/525148620.db2.gz BDMAJPCIGACDRC-GFCCVEGCSA-N 2 0 268.376 2.827 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000310877928 525157226 /nfs/dbraw/zinc/15/72/26/525157226.db2.gz NCMOHIKSUDCQEV-QWHCGFSZSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000302554668 525177733 /nfs/dbraw/zinc/17/77/33/525177733.db2.gz KSSJMHDQOYTVHX-UKRRQHHQSA-N 2 0 270.486 2.982 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000310877929 525329208 /nfs/dbraw/zinc/32/92/08/525329208.db2.gz NCMOHIKSUDCQEV-STQMWFEESA-N 2 0 250.386 2.863 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000228206118 525410496 /nfs/dbraw/zinc/41/04/96/525410496.db2.gz VRCDDEJQQDYVJN-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1ccc(OCCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000193654857 525410769 /nfs/dbraw/zinc/41/07/69/525410769.db2.gz PNORIILUTJTUSC-CALCHBBNSA-N 2 0 288.435 2.566 20 0 CFADRP Cc1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192605510 525423160 /nfs/dbraw/zinc/42/31/60/525423160.db2.gz YSDBQEVYVMOUPS-MQVJKMGUSA-N 2 0 274.408 2.589 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000334864582 525441054 /nfs/dbraw/zinc/44/10/54/525441054.db2.gz QJXVOPDNNGBXKO-ZWNOBZJWSA-N 2 0 283.213 2.679 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1F ZINC000335006663 525470384 /nfs/dbraw/zinc/47/03/84/525470384.db2.gz MFAZGFMUSRUJGM-TZMCWYRMSA-N 2 0 250.361 2.927 20 0 CFADRP CSCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171502828 525503142 /nfs/dbraw/zinc/50/31/42/525503142.db2.gz IBKDNCXVAAVNIJ-HNNXBMFYSA-N 2 0 270.486 2.937 20 0 CFADRP Cc1cc2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)oc2cc1C ZINC000334841224 525637835 /nfs/dbraw/zinc/63/78/35/525637835.db2.gz LVDZHVOFLKWWDV-ZDUSSCGKSA-N 2 0 258.365 2.830 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423297211 534878686 /nfs/dbraw/zinc/87/86/86/534878686.db2.gz JESXFVINKGBUJD-NXEZZACHSA-N 2 0 255.431 2.820 20 0 CFADRP C[C@@H](O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000354862624 525753498 /nfs/dbraw/zinc/75/34/98/525753498.db2.gz IGDMWQCKGMHEFX-IAGOWNOFSA-N 2 0 282.472 2.735 20 0 CFADRP COc1cccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192981648 525890308 /nfs/dbraw/zinc/89/03/08/525890308.db2.gz XRZKVHFGPAIKDC-ALOPSCKCSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337168 526071827 /nfs/dbraw/zinc/07/18/27/526071827.db2.gz ANNZLEQWXUQJMZ-RDTXWAMCSA-N 2 0 284.403 2.950 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000334859555 526167326 /nfs/dbraw/zinc/16/73/26/526167326.db2.gz ZSOIOUGOHLGIAH-SMDDNHRTSA-N 2 0 297.240 2.845 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)ccc2n1 ZINC000334841528 526232017 /nfs/dbraw/zinc/23/20/17/526232017.db2.gz OGCGPVUGIZGZGL-WBMJQRKESA-N 2 0 269.392 2.631 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423142448 526274345 /nfs/dbraw/zinc/27/43/45/526274345.db2.gz VFUNBAOBOKCCIJ-SJORKVTESA-N 2 0 258.409 2.992 20 0 CFADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423174627 526309955 /nfs/dbraw/zinc/30/99/55/526309955.db2.gz BMKYJEWEBJRPRK-ABCZVMIZSA-N 2 0 276.424 2.901 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000361009790 526340509 /nfs/dbraw/zinc/34/05/09/526340509.db2.gz UNMLHDMZHFLPNZ-OCCSQVGLSA-N 2 0 281.469 2.704 20 0 CFADRP Fc1cccc([C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000262190505 526399300 /nfs/dbraw/zinc/39/93/00/526399300.db2.gz JNLJATTVLAQNBN-HNNXBMFYSA-N 2 0 262.372 2.615 20 0 CFADRP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)onc1-c1ccccc1 ZINC000320195412 526399691 /nfs/dbraw/zinc/39/96/91/526399691.db2.gz SPWNSAMZYYRIEM-IYBDPMFKSA-N 2 0 297.402 2.773 20 0 CFADRP C1CC1[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423056897 526420558 /nfs/dbraw/zinc/42/05/58/526420558.db2.gz YZWOCWIZIYFDOQ-IECFSIQFSA-N 2 0 292.467 2.844 20 0 CFADRP c1ccc(CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000089749146 526464016 /nfs/dbraw/zinc/46/40/16/526464016.db2.gz BAYLGPVRRRDALO-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335056144 526512915 /nfs/dbraw/zinc/51/29/15/526512915.db2.gz BTVKNCIIQXQFLR-AWEZNQCLSA-N 2 0 260.406 2.733 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000334867992 526715736 /nfs/dbraw/zinc/71/57/36/526715736.db2.gz HNKBCXBIBAHPSC-UONOGXRCSA-N 2 0 279.453 2.724 20 0 CFADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423515857 526733638 /nfs/dbraw/zinc/73/36/38/526733638.db2.gz VXKBUYRLYAPHJL-SJJHQCBESA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)(CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423140352 527049730 /nfs/dbraw/zinc/04/97/30/527049730.db2.gz XWLGSICKZJKRMG-ARFHVFGLSA-N 2 0 280.456 2.559 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000051693542 527141446 /nfs/dbraw/zinc/14/14/46/527141446.db2.gz DWXZTSVWNAJCQT-UHFFFAOYSA-N 2 0 270.323 2.648 20 0 CFADRP [NH3+]CC1CC[NH+](CCSCc2ccccc2)CC1 ZINC000261979693 527165591 /nfs/dbraw/zinc/16/55/91/527165591.db2.gz REKBYYXVPVAGEA-UHFFFAOYSA-N 2 0 264.438 2.591 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000157027117 527166464 /nfs/dbraw/zinc/16/64/64/527166464.db2.gz FLIQIBUCYPNTBV-UHFFFAOYSA-N 2 0 256.752 2.650 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061815913 527169545 /nfs/dbraw/zinc/16/95/45/527169545.db2.gz AVZFBTDYQHYJCL-UHFFFAOYSA-N 2 0 262.397 2.516 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423147854 527176699 /nfs/dbraw/zinc/17/66/99/527176699.db2.gz SWMPHKJNPCGWAR-OWCLPIDISA-N 2 0 287.451 2.870 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000339277566 527270440 /nfs/dbraw/zinc/27/04/40/527270440.db2.gz BDAVAWUWQIAKEP-GASCZTMLSA-N 2 0 290.455 2.633 20 0 CFADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000339286150 527271546 /nfs/dbraw/zinc/27/15/46/527271546.db2.gz KRCMJIUKIKDPTM-UHFFFAOYSA-N 2 0 296.418 2.671 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@H]21 ZINC000228537600 527354593 /nfs/dbraw/zinc/35/45/93/527354593.db2.gz YHOLKBOXPZGQMA-FVQBIDKESA-N 2 0 270.376 2.992 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086403554 527358254 /nfs/dbraw/zinc/35/82/54/527358254.db2.gz IUXBOIDFGMFKIT-OLZOCXBDSA-N 2 0 283.213 2.809 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000334867192 527363955 /nfs/dbraw/zinc/36/39/55/527363955.db2.gz VPYRXCMSIPACGQ-CVEARBPZSA-N 2 0 294.826 2.668 20 0 CFADRP Cn1cccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917890 527396605 /nfs/dbraw/zinc/39/66/05/527396605.db2.gz XVZRJZAXDIAWKD-QGZVFWFLSA-N 2 0 283.419 2.637 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086403548 527403252 /nfs/dbraw/zinc/40/32/52/527403252.db2.gz IUXBOIDFGMFKIT-QWHCGFSZSA-N 2 0 283.213 2.809 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159336965 527403470 /nfs/dbraw/zinc/40/34/70/527403470.db2.gz SPYAGBKEUXTNOR-LSDHHAIUSA-N 2 0 255.365 2.594 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422807372 527476883 /nfs/dbraw/zinc/47/68/83/527476883.db2.gz MMQWCTPJZYFVKD-YESZJQIVSA-N 2 0 280.456 2.704 20 0 CFADRP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423096809 527489312 /nfs/dbraw/zinc/48/93/12/527489312.db2.gz PXMLFDUGRPEUCX-ONYGOOLBSA-N 2 0 291.483 2.656 20 0 CFADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000423232249 527489867 /nfs/dbraw/zinc/48/98/67/527489867.db2.gz HYZOZRWOLLKFAH-NPCAHTBFSA-N 2 0 266.429 2.598 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CSC1(C)C ZINC000338476965 527569686 /nfs/dbraw/zinc/56/96/86/527569686.db2.gz HJRDJLFZGQTNMA-AWEZNQCLSA-N 2 0 288.420 2.559 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CCC1CCCCC1 ZINC000361584173 527614991 /nfs/dbraw/zinc/61/49/91/527614991.db2.gz MUZXKWOIOOFNTE-QGZVFWFLSA-N 2 0 282.472 2.783 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000364827509 527625527 /nfs/dbraw/zinc/62/55/27/527625527.db2.gz AKNAGAPEMCVRBV-CVEARBPZSA-N 2 0 290.455 2.522 20 0 CFADRP CC(C)CC(=O)Nc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422722119 527673207 /nfs/dbraw/zinc/67/32/07/527673207.db2.gz OVKLBDNVOIWTID-ZIAGYGMSSA-N 2 0 291.439 2.887 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC23CC3)CC1 ZINC000418101813 527712377 /nfs/dbraw/zinc/71/23/77/527712377.db2.gz TYFXYLHPHHCTQY-KRWDZBQOSA-N 2 0 299.462 2.718 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(C(C)C)s2)[C@@H](C)C1 ZINC000426301802 527800177 /nfs/dbraw/zinc/80/01/77/527800177.db2.gz OULIZLSUUXYMTQ-QWHCGFSZSA-N 2 0 296.484 2.524 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422716535 527833357 /nfs/dbraw/zinc/83/33/57/527833357.db2.gz NJENXSZONOGUIA-NUUXYWTLSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)[C@H]1C[C@@H](C[NH2+][C@H](C)CCCC[NH3+])CCO1 ZINC000415012161 527867438 /nfs/dbraw/zinc/86/74/38/527867438.db2.gz IUVCANHDUCUART-QLFBSQMISA-N 2 0 256.434 2.545 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCC2)C[C@@H]1OCc1ccccc1 ZINC000423315016 527867570 /nfs/dbraw/zinc/86/75/70/527867570.db2.gz AEIFMQMXWYDKGR-CVEARBPZSA-N 2 0 288.435 2.841 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)[C@@H]2CCCO[C@H]21 ZINC000414199625 527873695 /nfs/dbraw/zinc/87/36/95/527873695.db2.gz ZEIOQTZAAGRDLY-ARFHVFGLSA-N 2 0 285.391 2.628 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000414808211 527881926 /nfs/dbraw/zinc/88/19/26/527881926.db2.gz DSNXUIJFYKTIDE-ZQIUZPCESA-N 3 0 275.440 2.526 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C12CCCC2 ZINC000422805339 527948290 /nfs/dbraw/zinc/94/82/90/527948290.db2.gz LYLNJSZKHZKQOE-LVQVYYBASA-N 2 0 280.456 2.974 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C12CCCCC2 ZINC000422918194 527951306 /nfs/dbraw/zinc/95/13/06/527951306.db2.gz GXCMCGXJLFGCRA-APIJFGDWSA-N 2 0 268.445 2.830 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423125601 527990782 /nfs/dbraw/zinc/99/07/82/527990782.db2.gz AKJRFELAMASNSA-COXVUDFISA-N 2 0 275.440 2.841 20 0 CFADRP CC1(F)CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423145918 528016241 /nfs/dbraw/zinc/01/62/41/528016241.db2.gz NDKMSOWMNGAYAL-QFSHSQKFSA-N 2 0 254.393 2.777 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827605 528050092 /nfs/dbraw/zinc/05/00/92/528050092.db2.gz SJZOSCLMSWXWFD-CWRNSKLLSA-N 2 0 268.445 2.702 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423106319 528062644 /nfs/dbraw/zinc/06/26/44/528062644.db2.gz RHLVKAYJDLYDCU-MHABSNSOSA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422935221 528123643 /nfs/dbraw/zinc/12/36/43/528123643.db2.gz DJEGXSCNMVVESY-CQSZACIVSA-N 2 0 264.413 2.906 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000414825491 528144689 /nfs/dbraw/zinc/14/46/89/528144689.db2.gz CHQYPJWICOZXMU-ZTFGCOKTSA-N 2 0 289.467 2.930 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000423250061 528144997 /nfs/dbraw/zinc/14/49/97/528144997.db2.gz ULBYBDVGYPVBBX-BMGDILEWSA-N 2 0 289.467 2.882 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414855750 528162899 /nfs/dbraw/zinc/16/28/99/528162899.db2.gz NMSSVOHZCPCRPZ-GDBMZVCRSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414792458 528163171 /nfs/dbraw/zinc/16/31/71/528163171.db2.gz IVYLLOGFTOOKSY-GOEBONIOSA-N 2 0 262.397 2.691 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425346360 528188430 /nfs/dbraw/zinc/18/84/30/528188430.db2.gz KHEXKERYXPWYRF-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422784822 528191319 /nfs/dbraw/zinc/19/13/19/528191319.db2.gz MJPPUPRYHSOVIO-HUUCEWRRSA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422957075 528204781 /nfs/dbraw/zinc/20/47/81/528204781.db2.gz MHZJTAYVXLFWCL-CABCVRRESA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423016761 528218568 /nfs/dbraw/zinc/21/85/68/528218568.db2.gz UNABQGBSHKUMBG-UONOGXRCSA-N 2 0 258.475 2.873 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422878442 528236793 /nfs/dbraw/zinc/23/67/93/528236793.db2.gz JDMDMDJVTRJOIU-SJORKVTESA-N 3 0 281.488 2.606 20 0 CFADRP CC1CC[NH+](CCN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123523617 528241175 /nfs/dbraw/zinc/24/11/75/528241175.db2.gz AFPIOFLQMNZOBW-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cs1 ZINC000422903689 528272901 /nfs/dbraw/zinc/27/29/01/528272901.db2.gz OWEKARXCANWJMU-GXTWGEPZSA-N 2 0 281.469 2.787 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OC ZINC000414804214 528281596 /nfs/dbraw/zinc/28/15/96/528281596.db2.gz OJWMBXZOTKUIJT-HUUCEWRRSA-N 2 0 292.423 2.701 20 0 CFADRP CC(C)SCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423111659 528321035 /nfs/dbraw/zinc/32/10/35/528321035.db2.gz RAAOGAOMCQLVBY-HIFRSBDPSA-N 2 0 266.454 2.676 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427388879 528351850 /nfs/dbraw/zinc/35/18/50/528351850.db2.gz CIQQBEVIYCFMMJ-CQSZACIVSA-N 2 0 289.423 2.514 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427388878 528351993 /nfs/dbraw/zinc/35/19/93/528351993.db2.gz CIQQBEVIYCFMMJ-AWEZNQCLSA-N 2 0 289.423 2.514 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423171832 528412077 /nfs/dbraw/zinc/41/20/77/528412077.db2.gz QEDSJLBUGVFSGG-IBEHDNSVSA-N 2 0 250.430 2.931 20 0 CFADRP CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1F ZINC000414957890 528456201 /nfs/dbraw/zinc/45/62/01/528456201.db2.gz CCMDPKXHSGEDFS-AWEZNQCLSA-N 2 0 280.387 2.846 20 0 CFADRP CCN(CCC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422793636 528458346 /nfs/dbraw/zinc/45/83/46/528458346.db2.gz XFKAKVPFDKHKTE-GJZGRUSLSA-N 2 0 263.429 2.618 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000423103534 528461430 /nfs/dbraw/zinc/46/14/30/528461430.db2.gz LBOBSMJSXHBHFC-TZMCWYRMSA-N 2 0 282.815 2.956 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1Cl ZINC000423110145 528463307 /nfs/dbraw/zinc/46/33/07/528463307.db2.gz UQHILHFUZZLPRW-LLVKDONJSA-N 2 0 270.804 2.956 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422744084 528469635 /nfs/dbraw/zinc/46/96/35/528469635.db2.gz SFQQIRXAYGPRMY-BRWVUGGUSA-N 2 0 281.488 2.891 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422742148 528471230 /nfs/dbraw/zinc/47/12/30/528471230.db2.gz PMZLNCJJPLNMKD-WFVVYAPDSA-N 2 0 279.472 2.514 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[C@H](C)[NH3+] ZINC000423223564 528488137 /nfs/dbraw/zinc/48/81/37/528488137.db2.gz GPAXHGYUHHKGOW-GOEBONIOSA-N 2 0 264.413 2.555 20 0 CFADRP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCC[NH3+] ZINC000423181600 528489265 /nfs/dbraw/zinc/48/92/65/528489265.db2.gz GFKQYIGWTVJIKY-CQSZACIVSA-N 2 0 252.427 2.742 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423244798 528491862 /nfs/dbraw/zinc/49/18/62/528491862.db2.gz XTFYCPPNDQHTMZ-HZPDHXFCSA-N 2 0 264.388 2.734 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423329424 528492142 /nfs/dbraw/zinc/49/21/42/528492142.db2.gz STTUKXIJXCICHW-JKSUJKDBSA-N 2 0 264.388 2.720 20 0 CFADRP CCC[NH2+]CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414872768 528517119 /nfs/dbraw/zinc/51/71/19/528517119.db2.gz QCMLKPCRDGBHEL-SJORKVTESA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)C[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])[NH+](C)C ZINC000422820922 528532718 /nfs/dbraw/zinc/53/27/18/528532718.db2.gz SWPBENKOYXXWEW-KBAYOESNSA-N 2 0 291.483 2.511 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(C2C[NH+](C3CCCCC3)C2)n1 ZINC000414609492 528557336 /nfs/dbraw/zinc/55/73/36/528557336.db2.gz AIPUQVFAUYDVGS-AWEZNQCLSA-N 2 0 292.427 2.847 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000414179096 528576797 /nfs/dbraw/zinc/57/67/97/528576797.db2.gz LDOWWJUVYJDFIM-LSDHHAIUSA-N 2 0 278.444 2.847 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cn1 ZINC000423257495 528577012 /nfs/dbraw/zinc/57/70/12/528577012.db2.gz JSWCFMDRYYLBLO-UONOGXRCSA-N 2 0 264.417 2.504 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423242233 528595299 /nfs/dbraw/zinc/59/52/99/528595299.db2.gz FAVNMMMBGSUZRG-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP CCOc1ccc([C@@H](CC)[NH2+]CC2C[NH2+]C2)cc1OCC ZINC000423307310 528598702 /nfs/dbraw/zinc/59/87/02/528598702.db2.gz VNSUZVAOSZASIE-OAHLLOKOSA-N 2 0 292.423 2.744 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)C(C)(C)C)CC[NH2+]CC1 ZINC000422858670 528613312 /nfs/dbraw/zinc/61/33/12/528613312.db2.gz IROJEBCUOHQXJL-KBPBESRZSA-N 2 0 298.471 2.722 20 0 CFADRP CCC(CC)(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422931906 528631339 /nfs/dbraw/zinc/63/13/39/528631339.db2.gz YKFQIYBODRTNJG-MGPQQGTHSA-N 2 0 256.434 2.545 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000422937692 528636888 /nfs/dbraw/zinc/63/68/88/528636888.db2.gz JWYGDSVFSOXLAE-CABCVRRESA-N 2 0 268.445 2.690 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1(C)C ZINC000423245493 528642253 /nfs/dbraw/zinc/64/22/53/528642253.db2.gz JBSJGDLNNYPDKG-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414807909 528670727 /nfs/dbraw/zinc/67/07/27/528670727.db2.gz RSRJBOVAVMJMNR-GXTWGEPZSA-N 2 0 281.469 2.949 20 0 CFADRP CCCCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414836491 528675927 /nfs/dbraw/zinc/67/59/27/528675927.db2.gz SQXVERVVFPEXAP-INIZCTEOSA-N 2 0 276.424 2.955 20 0 CFADRP CCCCOc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1OC ZINC000423181339 528689292 /nfs/dbraw/zinc/68/92/92/528689292.db2.gz OXCMRSRYSUUGIZ-CYBMUJFWSA-N 2 0 280.412 2.874 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH2+]C)cc1 ZINC000423255635 528724678 /nfs/dbraw/zinc/72/46/78/528724678.db2.gz ALEXGMPGQXFLQL-KGLIPLIRSA-N 2 0 264.413 2.982 20 0 CFADRP CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422746009 528732120 /nfs/dbraw/zinc/73/21/20/528732120.db2.gz YTNXHFONIHGKAL-HIFRSBDPSA-N 2 0 262.397 2.563 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414851413 528757636 /nfs/dbraw/zinc/75/76/36/528757636.db2.gz JDWYKQIKUPGOKR-HOCLYGCPSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423146547 528795096 /nfs/dbraw/zinc/79/50/96/528795096.db2.gz AWGNMTXHDVKYST-XFIYOXNOSA-N 2 0 250.430 2.789 20 0 CFADRP CCCn1c(C[NH2+]CC[C@H]2CC[NH2+]C2)nc2ccccc21 ZINC000414837113 528818827 /nfs/dbraw/zinc/81/88/27/528818827.db2.gz UEHJHDBYMRQDCM-CQSZACIVSA-N 2 0 286.423 2.536 20 0 CFADRP CCCn1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000414809339 528845122 /nfs/dbraw/zinc/84/51/22/528845122.db2.gz MFCDKEYSNZEFBN-ZDUSSCGKSA-N 2 0 272.396 2.603 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000422819304 528855857 /nfs/dbraw/zinc/85/58/57/528855857.db2.gz MPOJGOBAOMXEJG-ZACQAIPSSA-N 2 0 281.488 2.604 20 0 CFADRP CCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000415003834 528876450 /nfs/dbraw/zinc/87/64/50/528876450.db2.gz XPPJQZJLJJTXBN-HUUCEWRRSA-N 2 0 278.444 2.517 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]Cc1cccc2cccnc21 ZINC000414800702 528948337 /nfs/dbraw/zinc/94/83/37/528948337.db2.gz IGTUORCNAUWILV-UHFFFAOYSA-N 2 0 257.381 2.842 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000414815650 528953470 /nfs/dbraw/zinc/95/34/70/528953470.db2.gz XYOJCDVFIMHYJL-CYBMUJFWSA-N 2 0 292.423 2.844 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000414807194 528954588 /nfs/dbraw/zinc/95/45/88/528954588.db2.gz IRCPFWIVXGJWFL-HOTGVXAUSA-N 2 0 275.440 2.587 20 0 CFADRP CCC[C@@H](Cc1ccccc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348599 528962504 /nfs/dbraw/zinc/96/25/04/528962504.db2.gz ULBVDWMVOFVJCT-KRWDZBQOSA-N 2 0 258.409 2.907 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCC(C)CC1 ZINC000422842224 529011970 /nfs/dbraw/zinc/01/19/70/529011970.db2.gz FKNRNPGDSNROEM-ABHNRTSZSA-N 2 0 295.515 2.850 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1nnc2ccccn21 ZINC000422740029 529018912 /nfs/dbraw/zinc/01/89/12/529018912.db2.gz MBJUCTCCMRAUAT-UONOGXRCSA-N 2 0 289.427 2.678 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422733996 529025480 /nfs/dbraw/zinc/02/54/80/529025480.db2.gz BWAYLCNZBDSZPQ-XMTFNYHQSA-N 3 0 293.499 2.617 20 0 CFADRP CC1(C)CCc2ccccc2[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000423317256 529054572 /nfs/dbraw/zinc/05/45/72/529054572.db2.gz KDVTYBQUWFNNTM-INIZCTEOSA-N 2 0 258.409 2.899 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423265292 529070003 /nfs/dbraw/zinc/07/00/03/529070003.db2.gz CSXTVERZEXSPGT-IAQYHMDHSA-N 2 0 270.367 2.859 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414801519 529070270 /nfs/dbraw/zinc/07/02/70/529070270.db2.gz UGJVJPMQZDBVLL-BXUZGUMPSA-N 2 0 254.805 2.844 20 0 CFADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414793639 529070293 /nfs/dbraw/zinc/07/02/93/529070293.db2.gz KZWDXDUZKIPQTL-KBAYOESNSA-N 2 0 289.467 2.612 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423267348 529070491 /nfs/dbraw/zinc/07/04/91/529070491.db2.gz FJRVCGBVTLYIPE-OIISXLGYSA-N 2 0 276.424 2.727 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422808822 529072508 /nfs/dbraw/zinc/07/25/08/529072508.db2.gz OSECYADJVXCJKP-WMLDXEAASA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)[C@H]([NH3+])CN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414793641 529072755 /nfs/dbraw/zinc/07/27/55/529072755.db2.gz KZWDXDUZKIPQTL-RYQLBKOJSA-N 2 0 289.467 2.612 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)[C@@H]1OC ZINC000422986786 529106268 /nfs/dbraw/zinc/10/62/68/529106268.db2.gz HJDDEKWOZYHVEE-QGGMXYOTSA-N 2 0 280.456 2.699 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000423484000 529107665 /nfs/dbraw/zinc/10/76/65/529107665.db2.gz QPCIULIBZZUKAG-ZNMIVQPWSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423251211 529167729 /nfs/dbraw/zinc/16/77/29/529167729.db2.gz RPGAWSLWKCIORT-XJKSGUPXSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423261427 529168011 /nfs/dbraw/zinc/16/80/11/529168011.db2.gz SHGBFURMNIHBOH-GXTWGEPZSA-N 2 0 265.376 2.651 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423251929 529168099 /nfs/dbraw/zinc/16/80/99/529168099.db2.gz SOTKGZHQRNENFY-SWLSCSKDSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cn1 ZINC000423261430 529168141 /nfs/dbraw/zinc/16/81/41/529168141.db2.gz SHGBFURMNIHBOH-TZMCWYRMSA-N 2 0 265.376 2.651 20 0 CFADRP CC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422729047 529169222 /nfs/dbraw/zinc/16/92/22/529169222.db2.gz HHTHKORDNONXBC-WBVHZDCISA-N 2 0 271.408 2.831 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Cl)ccc1OC ZINC000423300559 529172499 /nfs/dbraw/zinc/17/24/99/529172499.db2.gz RVQNKEMBCACCRV-GXFFZTMASA-N 2 0 270.804 2.984 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420298806 529184050 /nfs/dbraw/zinc/18/40/50/529184050.db2.gz HWAIBFCCLMQLHI-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OC)c(OC)c1 ZINC000423108755 529202374 /nfs/dbraw/zinc/20/23/74/529202374.db2.gz ROLHBUGDLHNVBJ-HUUCEWRRSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000427140042 529336844 /nfs/dbraw/zinc/33/68/44/529336844.db2.gz MXAJARJABWUJFW-DJIMGWMZSA-N 2 0 258.409 2.864 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])Oc1ccccc1F ZINC000422817548 529369981 /nfs/dbraw/zinc/36/99/81/529369981.db2.gz HUCCDTSWTBZDSI-CHWSQXEVSA-N 2 0 268.376 2.700 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])Oc1cccc(F)c1 ZINC000422845012 529370243 /nfs/dbraw/zinc/37/02/43/529370243.db2.gz AQFZFJVUMHPQJF-TZMCWYRMSA-N 2 0 268.376 2.700 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1ccccc1C ZINC000422922917 529370666 /nfs/dbraw/zinc/37/06/66/529370666.db2.gz UQPVPHOQTBLLQK-XHSDSOJGSA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1cccc(C)c1 ZINC000422918884 529370807 /nfs/dbraw/zinc/37/08/07/529370807.db2.gz IQPCLJDESABXDL-KBMXLJTQSA-N 2 0 262.397 2.622 20 0 CFADRP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](C)CC3)c2c1 ZINC000450209986 535023407 /nfs/dbraw/zinc/02/34/07/535023407.db2.gz YYGYDZAAXQTZGY-UHFFFAOYSA-N 2 0 285.391 2.774 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000268456938 535165679 /nfs/dbraw/zinc/16/56/79/535165679.db2.gz XXWLDXACUVLFIL-UHFFFAOYSA-N 2 0 296.842 2.665 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])c2ccc(C)cc2)c1 ZINC000262690717 535482518 /nfs/dbraw/zinc/48/25/18/535482518.db2.gz ZELBJXAYYRUZPG-QGZVFWFLSA-N 2 0 297.402 2.743 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000444592884 535496555 /nfs/dbraw/zinc/49/65/55/535496555.db2.gz HJAPMOBKPQVPRW-QGZVFWFLSA-N 2 0 298.471 2.583 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000438175149 535577464 /nfs/dbraw/zinc/57/74/64/535577464.db2.gz HTTHVYKUMKBJIC-IKGGRYGDSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000449743953 535673083 /nfs/dbraw/zinc/67/30/83/535673083.db2.gz CNFWAFBIYLRBQL-INIZCTEOSA-N 2 0 283.504 2.674 20 0 CFADRP CCc1cccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435621537 535904992 /nfs/dbraw/zinc/90/49/92/535904992.db2.gz MFTCIHZIXLTLED-MRXNPFEDSA-N 2 0 276.424 2.702 20 0 CFADRP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268984178 535978513 /nfs/dbraw/zinc/97/85/13/535978513.db2.gz DSWOUMYISMRISD-RYQLBKOJSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000459799131 536384029 /nfs/dbraw/zinc/38/40/29/536384029.db2.gz YKWPNRVDIWIYDA-GFCCVEGCSA-N 2 0 282.815 2.867 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452056503 536390492 /nfs/dbraw/zinc/39/04/92/536390492.db2.gz WSMAHVUUNKBMHV-DRRXZNNHSA-N 2 0 262.441 2.839 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000435375612 536518609 /nfs/dbraw/zinc/51/86/09/536518609.db2.gz VTUKCAZWRGWOGO-GZBFAFLISA-N 2 0 294.414 2.682 20 0 CFADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000450266770 536651844 /nfs/dbraw/zinc/65/18/44/536651844.db2.gz TYIUJQLQQBLAKM-GOSISDBHSA-N 2 0 290.451 2.518 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C ZINC000166683104 545497612 /nfs/dbraw/zinc/49/76/12/545497612.db2.gz YYDBZDUGPQFYQZ-IAGOWNOFSA-N 2 0 288.435 2.763 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C/c1ccccc1)C2 ZINC000382018640 545563521 /nfs/dbraw/zinc/56/35/21/545563521.db2.gz OSMLYVPULJCAQI-DIYXLRBJSA-N 2 0 256.393 2.761 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000666082848 545578335 /nfs/dbraw/zinc/57/83/35/545578335.db2.gz JINATONPUGBYBM-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1OCCc2ccccc21 ZINC000738312351 574164473 /nfs/dbraw/zinc/16/44/73/574164473.db2.gz QTSZNVRFJZKSIN-GOSISDBHSA-N 2 0 288.435 2.574 20 0 CFADRP CCC(CC)(CC)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000395115593 574348563 /nfs/dbraw/zinc/34/85/63/574348563.db2.gz GGDQWSSDLAWQNP-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP c1ccc(C[NH+]2CCC(C[NH2+]C3CSC3)CC2)cc1 ZINC000397495735 574358919 /nfs/dbraw/zinc/35/89/19/574358919.db2.gz DPCGELKHLYCBSW-UHFFFAOYSA-N 2 0 276.449 2.604 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000743850922 574374228 /nfs/dbraw/zinc/37/42/28/574374228.db2.gz WMODXZGXHZHIPH-AEFFLSMTSA-N 2 0 290.451 2.610 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000743850923 574374236 /nfs/dbraw/zinc/37/42/36/574374236.db2.gz WMODXZGXHZHIPH-FUHWJXTLSA-N 2 0 290.451 2.610 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cccnc1 ZINC000753370727 574401728 /nfs/dbraw/zinc/40/17/28/574401728.db2.gz HNKZLADBTLKQCH-ZDUSSCGKSA-N 2 0 279.347 2.513 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000753670563 574407820 /nfs/dbraw/zinc/40/78/20/574407820.db2.gz AOQHPSFWNABLGC-VXLLPVPCSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@]2(C)Br)CC1 ZINC000892479977 618352059 /nfs/dbraw/zinc/35/20/59/618352059.db2.gz WAEMIKWHFLOXKF-YPMHNXCESA-N 2 0 289.261 2.622 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)CC1 ZINC000895939714 619640055 /nfs/dbraw/zinc/64/00/55/619640055.db2.gz ZSRXUJMPRMNYTB-GFCCVEGCSA-N 2 0 264.335 2.603 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC3(CCCC3)CC2)CC1 ZINC000891931022 617834421 /nfs/dbraw/zinc/83/44/21/617834421.db2.gz GTJUWPBOCKQTGA-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C12CCCC2 ZINC000843341798 617646628 /nfs/dbraw/zinc/64/66/28/617646628.db2.gz LKFSFGFPSOXWNP-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]CC(C)C)cc2)CC1 ZINC000048068606 617679704 /nfs/dbraw/zinc/67/97/04/617679704.db2.gz SYVHAVFNQSWWMM-UHFFFAOYSA-N 2 0 289.467 2.570 20 0 CFADRP CCC(CC)[C@@H](CNC(=[NH2+])NC1CCCC1)[NH+]1CCCC1 ZINC000066242773 617680861 /nfs/dbraw/zinc/68/08/61/617680861.db2.gz ZFVNAWQOPGZVLG-MRXNPFEDSA-N 2 0 294.487 2.944 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000891775883 617746253 /nfs/dbraw/zinc/74/62/53/617746253.db2.gz UQOVDHYEDPQLHO-UHFFFAOYSA-N 2 0 292.452 2.560 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000891792663 617755205 /nfs/dbraw/zinc/75/52/05/617755205.db2.gz IUJMSFYFXINLCC-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933737520 617765192 /nfs/dbraw/zinc/76/51/92/617765192.db2.gz QNOOYTRJZGUSCX-LVQVYYBASA-N 2 0 250.430 2.696 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000926254623 617780410 /nfs/dbraw/zinc/78/04/10/617780410.db2.gz MEHHNHQADGEMGW-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)(CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCCC1 ZINC000926275329 617796022 /nfs/dbraw/zinc/79/60/22/617796022.db2.gz OEJCIVSURCTYDD-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)c1 ZINC000891933078 617834947 /nfs/dbraw/zinc/83/49/47/617834947.db2.gz AJOPRKRATFVCLX-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CCCO2)CC1CC[NH+](C)CC1 ZINC000891935233 617836521 /nfs/dbraw/zinc/83/65/21/617836521.db2.gz YNNOPRAFHHTZJS-UHFFFAOYSA-N 2 0 288.435 2.785 20 0 CFADRP C[N@@H+](Cc1nccc2c1CCCC2)CC1CC[NH+](C)CC1 ZINC000891935471 617837497 /nfs/dbraw/zinc/83/74/97/617837497.db2.gz QIKBZWXWEVMDGQ-UHFFFAOYSA-N 2 0 287.451 2.734 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccoc2)CC1 ZINC000093769468 617847044 /nfs/dbraw/zinc/84/70/44/617847044.db2.gz OQNQMZJWGAFWDM-UHFFFAOYSA-N 2 0 294.439 2.850 20 0 CFADRP C[C@H]1CC[C@H](C)C1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926305202 617856648 /nfs/dbraw/zinc/85/66/48/617856648.db2.gz ATYYKXUERXFGRX-STQMWFEESA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926308155 617859277 /nfs/dbraw/zinc/85/92/77/617859277.db2.gz MTUPEPBVCZFXEQ-IRXDYDNUSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1cc(N)nc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000891963595 617881709 /nfs/dbraw/zinc/88/17/09/617881709.db2.gz KCPFSRUKNGRURQ-ZFWWWQNUSA-N 2 0 297.406 2.615 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC000892003785 617909486 /nfs/dbraw/zinc/90/94/86/617909486.db2.gz DUXKPLGHPNZTFI-UHFFFAOYSA-N 2 0 262.372 2.526 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cn(C)nc1C1CC1 ZINC000892114134 617958134 /nfs/dbraw/zinc/95/81/34/617958134.db2.gz LGRXRDPSGFILOC-MRXNPFEDSA-N 2 0 290.455 2.604 20 0 CFADRP C[C@H]1CSCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934298812 617990302 /nfs/dbraw/zinc/99/03/02/617990302.db2.gz ONYXZHKJJMXAIX-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262081276 618027665 /nfs/dbraw/zinc/02/76/65/618027665.db2.gz FCEMFNJZYCYOJE-UHFFFAOYSA-N 2 0 288.435 2.758 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000926419283 618085131 /nfs/dbraw/zinc/08/51/31/618085131.db2.gz SEXAYXLUZDHZIB-ULQDDVLXSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000892286177 618089809 /nfs/dbraw/zinc/08/98/09/618089809.db2.gz DYQOKPABMGSLEX-AWEZNQCLSA-N 2 0 297.402 2.918 20 0 CFADRP COc1ccc2[nH+]ccc(N3CCC[C@H]([NH+](C)C)C3)c2c1 ZINC000892288089 618091882 /nfs/dbraw/zinc/09/18/82/618091882.db2.gz FGDVPULSXSGZBW-ZDUSSCGKSA-N 2 0 285.391 2.774 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000050267291 618105432 /nfs/dbraw/zinc/10/54/32/618105432.db2.gz JBPJHGIUSJISBB-GJZGRUSLSA-N 2 0 252.402 2.533 20 0 CFADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000153798424 618108010 /nfs/dbraw/zinc/10/80/10/618108010.db2.gz ZTTGYGNFUQIUPX-UHFFFAOYSA-N 2 0 274.408 2.755 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccsc2)CC1 ZINC000178679700 618108260 /nfs/dbraw/zinc/10/82/60/618108260.db2.gz ATJVRPNQYJDQDP-INIZCTEOSA-N 2 0 296.480 2.808 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCc2cccs2)CC[NH2+]1 ZINC000235365114 618112516 /nfs/dbraw/zinc/11/25/16/618112516.db2.gz OUMIHXYITIIEON-CHWSQXEVSA-N 2 0 252.427 2.611 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCc2cccs2)CC[NH2+]1 ZINC000235379234 618113203 /nfs/dbraw/zinc/11/32/03/618113203.db2.gz OUMIHXYITIIEON-OLZOCXBDSA-N 2 0 252.427 2.611 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261641260 618122898 /nfs/dbraw/zinc/12/28/98/618122898.db2.gz WZYKYQLDPNBCRM-LSDHHAIUSA-N 2 0 262.397 2.784 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000091543910 618128695 /nfs/dbraw/zinc/12/86/95/618128695.db2.gz PMLUICICIYJFCA-AXTRIDKLSA-N 2 0 253.415 2.538 20 0 CFADRP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261729348 618132662 /nfs/dbraw/zinc/13/26/62/618132662.db2.gz HAXZEUVJEBOUHH-RDJZCZTQSA-N 2 0 260.425 2.857 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926487798 618156275 /nfs/dbraw/zinc/15/62/75/618156275.db2.gz PWRXFLZBVRSEBY-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CSc2ccccc21 ZINC000926494502 618157721 /nfs/dbraw/zinc/15/77/21/618157721.db2.gz GXNDKQUZAUVHOC-QYCFJQJSSA-N 2 0 288.460 2.806 20 0 CFADRP C[N@H+](Cc1ccccc1OC(F)F)C1CCC([NH3+])CC1 ZINC000091843840 618201897 /nfs/dbraw/zinc/20/18/97/618201897.db2.gz JWBHEGGZGJUWSE-UHFFFAOYSA-N 2 0 284.350 2.990 20 0 CFADRP CCOc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091844527 618202567 /nfs/dbraw/zinc/20/25/67/618202567.db2.gz ZQVVARZYXJZHLV-UHFFFAOYSA-N 2 0 262.397 2.787 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000926575131 618217289 /nfs/dbraw/zinc/21/72/89/618217289.db2.gz XSGYVSGBKRKXFS-YOEHRIQHSA-N 2 0 280.456 2.513 20 0 CFADRP CCN(CC[NH2+]CC1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000892418648 618234856 /nfs/dbraw/zinc/23/48/56/618234856.db2.gz RXNSXUMHBMUPMI-UHFFFAOYSA-N 2 0 289.467 2.753 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1)[NH2+]2 ZINC000925571469 618252170 /nfs/dbraw/zinc/25/21/70/618252170.db2.gz IDSLBNMABWYDGG-FYBLVZLKSA-N 2 0 270.420 2.736 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000925572267 618253289 /nfs/dbraw/zinc/25/32/89/618253289.db2.gz LQUOQASDUKFKDH-DQPJANOFSA-N 2 0 270.420 2.723 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925574816 618256683 /nfs/dbraw/zinc/25/66/83/618256683.db2.gz BUNQTIISZAZYOY-OAGGEKHMSA-N 2 0 280.456 2.702 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925575525 618256697 /nfs/dbraw/zinc/25/66/97/618256697.db2.gz VMISMMDBLYUCER-USXIJHARSA-N 2 0 275.440 2.539 20 0 CFADRP CSc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000894002881 618270117 /nfs/dbraw/zinc/27/01/17/618270117.db2.gz XHVPCWMCWCSRKN-UHFFFAOYSA-N 2 0 268.426 2.775 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1(C2CC2)CC1 ZINC000925591233 618276658 /nfs/dbraw/zinc/27/66/58/618276658.db2.gz YWJBYDBEJJLWGJ-JKSUJKDBSA-N 2 0 262.441 2.935 20 0 CFADRP CC[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000925606178 618294305 /nfs/dbraw/zinc/29/43/05/618294305.db2.gz LZVOFBLBNJKYRK-UAGQMJEPSA-N 2 0 275.440 2.539 20 0 CFADRP CC[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)N1CCCC1 ZINC000925605716 618294672 /nfs/dbraw/zinc/29/46/72/618294672.db2.gz HZJHCGAYKCSKRK-QZTJIDSGSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(CC[C@@H]2CCOC2)c2ccccn2)CC1 ZINC000895112158 618312846 /nfs/dbraw/zinc/31/28/46/618312846.db2.gz NAIZXKWDMIHQQO-BZUAXINKSA-N 2 0 289.423 2.585 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925613228 618313308 /nfs/dbraw/zinc/31/33/08/618313308.db2.gz BERQDVXOVCJDJT-XDNAFOTISA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)(CCCO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925613982 618314218 /nfs/dbraw/zinc/31/42/18/618314218.db2.gz GOAYRYFZGAYQRT-HZPDHXFCSA-N 2 0 282.472 2.543 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H](CCO)C2CCCCC2)C[C@@H]([NH3+])C1 ZINC000925614267 618316211 /nfs/dbraw/zinc/31/62/11/618316211.db2.gz HMKBZTDKWALEKO-PMPSAXMXSA-N 2 0 282.472 2.813 20 0 CFADRP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925110979 618320823 /nfs/dbraw/zinc/32/08/23/618320823.db2.gz JVNRVTNQCMHEMT-HEHGZKQESA-N 2 0 296.480 2.511 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925616808 618324013 /nfs/dbraw/zinc/32/40/13/618324013.db2.gz UIJIAPMYPOBJKR-SRABZTEZSA-N 2 0 280.456 2.559 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2(CCO)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925623498 618343929 /nfs/dbraw/zinc/34/39/29/618343929.db2.gz SFGYBJCIDABJKM-OWCLPIDISA-N 2 0 294.483 2.686 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925623756 618344124 /nfs/dbraw/zinc/34/41/24/618344124.db2.gz SNQZMSYFIJOKGG-HYVNUMGLSA-N 2 0 282.472 2.543 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](CCC[NH3+])c2ccccc2)o1 ZINC000925624190 618346391 /nfs/dbraw/zinc/34/63/91/618346391.db2.gz WDUYGNJUMHWQMU-HOTGVXAUSA-N 2 0 288.391 2.691 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925625718 618348168 /nfs/dbraw/zinc/34/81/68/618348168.db2.gz KGLRADXWWHYTMY-QGZVFWFLSA-N 2 0 298.434 2.717 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCOCc2ccc(Cl)cc2)C12CCC2 ZINC000925625014 618348240 /nfs/dbraw/zinc/34/82/40/618348240.db2.gz FRKOZVJYHKKDSB-GJZGRUSLSA-N 2 0 294.826 2.716 20 0 CFADRP Cc1noc2ncc(CNCCC[N@@H+](C)CC(C)C)cc12 ZINC000895128766 618348672 /nfs/dbraw/zinc/34/86/72/618348672.db2.gz DXFNPKGIYUUQGA-UHFFFAOYSA-N 2 0 290.411 2.599 20 0 CFADRP C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925626298 618348830 /nfs/dbraw/zinc/34/88/30/618348830.db2.gz PNRSLUYYAWLDHC-SUMWQHHRSA-N 2 0 276.424 2.560 20 0 CFADRP CCC[C@@H](C)[C@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926644786 618352441 /nfs/dbraw/zinc/35/24/41/618352441.db2.gz ORXVCYSEOHXEJR-WBVHZDCISA-N 2 0 284.488 2.884 20 0 CFADRP CCC[C@@H](C)[C@@H](CO)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926644784 618352829 /nfs/dbraw/zinc/35/28/29/618352829.db2.gz ORXVCYSEOHXEJR-NVXWUHKLSA-N 2 0 284.488 2.884 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000261712608 618358180 /nfs/dbraw/zinc/35/81/80/618358180.db2.gz JMZRJMNUSBPJSL-CAOSSQGBSA-N 2 0 294.464 2.682 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)CC)CC1 ZINC000190193604 618361878 /nfs/dbraw/zinc/36/18/78/618361878.db2.gz ZPOJCUGYCORGMT-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP COC1CCC(C[NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000895135968 618364554 /nfs/dbraw/zinc/36/45/54/618364554.db2.gz CVQXAUWMCOGSBQ-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1CCC[C@@](CNC(=[NH2+])NC2CCCCC2)([NH+](C)C)C1 ZINC000052047920 618371341 /nfs/dbraw/zinc/37/13/41/618371341.db2.gz MCPYXUUAMIVSOH-RHSMWYFYSA-N 2 0 294.487 2.944 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926667014 618382704 /nfs/dbraw/zinc/38/27/04/618382704.db2.gz XMXBTXNVLUCKMR-QILLFSRXSA-N 3 0 289.467 2.739 20 0 CFADRP CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000894144100 618394228 /nfs/dbraw/zinc/39/42/28/618394228.db2.gz MTMHCVADQDDRGS-MSOLQXFVSA-N 2 0 290.451 2.820 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1OC ZINC000311051227 618401695 /nfs/dbraw/zinc/40/16/95/618401695.db2.gz QSBUOKAPOAOZTB-KKUMJFAQSA-N 2 0 256.434 2.654 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3F)C2)C12CCC2 ZINC000925652127 618404055 /nfs/dbraw/zinc/40/40/55/618404055.db2.gz BUGJBSBHBSWPQC-CZPYZCIJSA-N 2 0 274.383 2.931 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc3c(n2)CCCC3)C1 ZINC000925660165 618420844 /nfs/dbraw/zinc/42/08/44/618420844.db2.gz PLAGGHIRZSHQQD-GOEBONIOSA-N 2 0 287.451 2.956 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000925662251 618427158 /nfs/dbraw/zinc/42/71/58/618427158.db2.gz HLJPUGWIKJGLRK-BFKVFCTQSA-N 2 0 272.383 2.917 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925668457 618434570 /nfs/dbraw/zinc/43/45/70/618434570.db2.gz HSGQCYUGQCBZST-QLFBSQMISA-N 2 0 269.477 2.602 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccco2)CC1 ZINC000120622668 618436439 /nfs/dbraw/zinc/43/64/39/618436439.db2.gz WQBOXAQUKQNQCS-UHFFFAOYSA-N 2 0 250.386 2.881 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000925674986 618446578 /nfs/dbraw/zinc/44/65/78/618446578.db2.gz CDEFNHUJYZECIM-QEJZJMRPSA-N 2 0 262.372 2.802 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C12CCC2 ZINC000925677458 618453984 /nfs/dbraw/zinc/45/39/84/618453984.db2.gz QICHQEHVSIZGIM-DTZQCDIJSA-N 2 0 274.383 2.931 20 0 CFADRP COCC[C@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925685055 618477386 /nfs/dbraw/zinc/47/73/86/618477386.db2.gz FDZYHFOVSBDFLW-GOEBONIOSA-N 2 0 264.413 2.729 20 0 CFADRP C[C@H](N)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000925686758 618479523 /nfs/dbraw/zinc/47/95/23/618479523.db2.gz YCTBBRCSPAGSHO-YOEHRIQHSA-N 2 0 275.440 2.539 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]CC[C@H](C)[NH+](C)C)cc21 ZINC000895291313 618511951 /nfs/dbraw/zinc/51/19/51/618511951.db2.gz CFERAANCZSCNEO-ZDUSSCGKSA-N 2 0 259.397 2.906 20 0 CFADRP C[C@H](CC[NH2+]Cc1cc2ccncc2s1)[NH+](C)C ZINC000895292127 618513238 /nfs/dbraw/zinc/51/32/38/618513238.db2.gz MFKFMMSAFDPWML-LLVKDONJSA-N 2 0 263.410 2.726 20 0 CFADRP C[C@H](CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000895297473 618518650 /nfs/dbraw/zinc/51/86/50/618518650.db2.gz WPIURXYCGCDSJG-WLYUNCDWSA-N 2 0 298.471 2.817 20 0 CFADRP C[NH+]1CCC(CNc2cncc3c2CCCC3)CC1 ZINC000895311235 618526810 /nfs/dbraw/zinc/52/68/10/618526810.db2.gz YDVJDXAIZWXGMZ-UHFFFAOYSA-N 2 0 259.397 2.714 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000895313703 618530349 /nfs/dbraw/zinc/53/03/49/618530349.db2.gz LUKPVDZOWBHNRF-AWEZNQCLSA-N 2 0 278.415 2.997 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccn(C)c1 ZINC000895376692 618556333 /nfs/dbraw/zinc/55/63/33/618556333.db2.gz IFSSLIRXQSFXAP-HOCLYGCPSA-N 2 0 263.429 2.577 20 0 CFADRP Cn1cc(CC[NH2+]CC2CC[NH+](C)CC2)c2ccccc21 ZINC000895377532 618556798 /nfs/dbraw/zinc/55/67/98/618556798.db2.gz NJDQTVJBHYAMPT-UHFFFAOYSA-N 2 0 285.435 2.652 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000926752837 618634976 /nfs/dbraw/zinc/63/49/76/618634976.db2.gz BYGODMLXVXZZGR-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000070190048 625280289 /nfs/dbraw/zinc/28/02/89/625280289.db2.gz YPEQPQITEJODSY-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000070189007 625280634 /nfs/dbraw/zinc/28/06/34/625280634.db2.gz MKSPMZSWKCCCLI-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP COCCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000892606908 618651984 /nfs/dbraw/zinc/65/19/84/618651984.db2.gz GNTRISCQLRTXJT-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000924579608 618659031 /nfs/dbraw/zinc/65/90/31/618659031.db2.gz YVBRNOWIVBAVEK-SFHVURJKSA-N 2 0 293.499 2.572 20 0 CFADRP Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000236591096 618693734 /nfs/dbraw/zinc/69/37/34/618693734.db2.gz FPEUWOLXKUPWEZ-UHFFFAOYSA-N 2 0 292.398 2.839 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000166011423 618701697 /nfs/dbraw/zinc/70/16/97/618701697.db2.gz IWKKVWIKRWJFQV-OCCSQVGLSA-N 2 0 299.846 2.742 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000166011298 618701760 /nfs/dbraw/zinc/70/17/60/618701760.db2.gz IWKKVWIKRWJFQV-GXTWGEPZSA-N 2 0 299.846 2.742 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C(C)(C)CO ZINC000924605540 618747635 /nfs/dbraw/zinc/74/76/35/618747635.db2.gz WGHQYXKHUXOHDG-CQSZACIVSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)C(C)(C)CO ZINC000924605538 618747789 /nfs/dbraw/zinc/74/77/89/618747789.db2.gz WGHQYXKHUXOHDG-AWEZNQCLSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)c1nc(CC[NH2+]CC2CC[NH+](C)CC2)cs1 ZINC000892807290 618749432 /nfs/dbraw/zinc/74/94/32/618749432.db2.gz TUYGVYUETIJVBO-UHFFFAOYSA-N 2 0 281.469 2.740 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000892876373 618761854 /nfs/dbraw/zinc/76/18/54/618761854.db2.gz QPXMHQICXGIUAX-UHFFFAOYSA-N 2 0 276.424 2.862 20 0 CFADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)nc1 ZINC000892882466 618762947 /nfs/dbraw/zinc/76/29/47/618762947.db2.gz NRPOUNKIGQQXQY-UHFFFAOYSA-N 2 0 291.439 2.836 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]CC1CC[NH+](C)CC1 ZINC000892900321 618766535 /nfs/dbraw/zinc/76/65/35/618766535.db2.gz RNDXKRMXGBZRHO-UHFFFAOYSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)C[NH+](C)C ZINC000311949880 618772521 /nfs/dbraw/zinc/77/25/21/618772521.db2.gz LEUCUEQIHOWOGB-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000892936611 618773783 /nfs/dbraw/zinc/77/37/83/618773783.db2.gz IIBFWPHKOZICKZ-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4c3NCCC4)C2)C1 ZINC000314069502 618774920 /nfs/dbraw/zinc/77/49/20/618774920.db2.gz WPMHFYJWCDKAMC-SFHVURJKSA-N 2 0 285.435 2.572 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2nnc(C(C)C)s2)CC1 ZINC000893070945 618820040 /nfs/dbraw/zinc/82/00/40/618820040.db2.gz ZLBLKOKTHWFBON-UHFFFAOYSA-N 2 0 296.484 2.873 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[C@@]2(C)Br)C1 ZINC000893094371 618829163 /nfs/dbraw/zinc/82/91/63/618829163.db2.gz ICZQNCBIEXIHBD-YVECIDJPSA-N 2 0 289.261 2.622 20 0 CFADRP Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925504407 618832612 /nfs/dbraw/zinc/83/26/12/618832612.db2.gz MPDDJMDAGSBDNF-WWGRRREGSA-N 2 0 288.439 2.658 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925510176 618846516 /nfs/dbraw/zinc/84/65/16/618846516.db2.gz UCARIMVCWUFOCO-KBMXLJTQSA-N 2 0 258.409 2.958 20 0 CFADRP CC(C)c1csc(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000893151321 618848035 /nfs/dbraw/zinc/84/80/35/618848035.db2.gz ACYCDTMVSWZHNY-UHFFFAOYSA-N 2 0 267.442 2.698 20 0 CFADRP CCC[NH+]1CCC(N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925511704 618850428 /nfs/dbraw/zinc/85/04/28/618850428.db2.gz RSYGUUCBRULHCJ-ROUUACIJSA-N 2 0 293.499 2.619 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc(Cl)cc1 ZINC000925515949 618855356 /nfs/dbraw/zinc/85/53/56/618855356.db2.gz JWLIFMQAOAHEDA-ILXRZTDVSA-N 2 0 294.826 2.887 20 0 CFADRP O[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)c1ccc(Cl)cc1 ZINC000925517368 618856418 /nfs/dbraw/zinc/85/64/18/618856418.db2.gz KYSCFFYMJXPJOR-HUUCEWRRSA-N 2 0 294.826 2.638 20 0 CFADRP c1cc(CN[C@H]2CC[NH2+]C23CCC3)cc(C[NH+]2CCCC2)c1 ZINC000925525784 618871127 /nfs/dbraw/zinc/87/11/27/618871127.db2.gz DTTPRYFYGGZXMT-SFHVURJKSA-N 2 0 299.462 2.657 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]([NH3+])C1 ZINC000925526773 618872962 /nfs/dbraw/zinc/87/29/62/618872962.db2.gz OTBRNYUAJOIYKO-KGLIPLIRSA-N 2 0 250.361 2.821 20 0 CFADRP C[C@H]1[NH2+]CCC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000925527996 618876272 /nfs/dbraw/zinc/87/62/72/618876272.db2.gz CABZBXAMIZATRI-RHSMWYFYSA-N 2 0 279.472 2.514 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925528515 618879364 /nfs/dbraw/zinc/87/93/64/618879364.db2.gz VNHREXFPMMUHMU-IAGOWNOFSA-N 2 0 296.499 2.933 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(O)CC2)C1 ZINC000893200446 618880418 /nfs/dbraw/zinc/88/04/18/618880418.db2.gz PHMFBGPRPQONMW-GTPINHCMSA-N 2 0 282.472 2.638 20 0 CFADRP CCCOc1cccc(CC[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000893205888 618883601 /nfs/dbraw/zinc/88/36/01/618883601.db2.gz LLFFPZKERDKECO-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000925543502 618903993 /nfs/dbraw/zinc/90/39/93/618903993.db2.gz UYXPMIRNBLXXGY-OWCLPIDISA-N 2 0 276.424 2.870 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1CCCS1 ZINC000925553497 618916299 /nfs/dbraw/zinc/91/62/99/618916299.db2.gz SVIMIJZHBVJUBW-ZNMIVQPWSA-N 2 0 268.470 2.640 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000925558841 618922938 /nfs/dbraw/zinc/92/29/38/618922938.db2.gz WIIIWEYNTUVKOD-QZTJIDSGSA-N 2 0 287.451 2.541 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925560497 618925357 /nfs/dbraw/zinc/92/53/57/618925357.db2.gz YDKOJQDPDBYJCH-ZACQAIPSSA-N 2 0 293.499 2.619 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C[C@@H]1CCOC1 ZINC000925687349 618931080 /nfs/dbraw/zinc/93/10/80/618931080.db2.gz JGGRMRPBYRMKHM-HYVNUMGLSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000194214642 618933397 /nfs/dbraw/zinc/93/33/97/618933397.db2.gz UYSCTMXBXBXZEG-XHSDSOJGSA-N 2 0 266.429 2.637 20 0 CFADRP COC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925691723 618936709 /nfs/dbraw/zinc/93/67/09/618936709.db2.gz IYUHTDGMXWPUPP-SJJHQCBESA-N 2 0 280.456 2.702 20 0 CFADRP N[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925693113 618938738 /nfs/dbraw/zinc/93/87/38/618938738.db2.gz OLLYHOGXOWRLOA-QZTJIDSGSA-N 2 0 283.419 2.756 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NCC[C@@H]1CCc2ccccc2N1 ZINC000925701567 618954852 /nfs/dbraw/zinc/95/48/52/618954852.db2.gz BHQYUFCUUKGLTE-GOEBONIOSA-N 2 0 273.424 2.534 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC[C@@H]2CC2(Cl)Cl)C12CCC2 ZINC000925701937 618954858 /nfs/dbraw/zinc/95/48/58/618954858.db2.gz ILAPQADWDDXIKC-MXWKQRLJSA-N 2 0 277.239 2.820 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925706560 618961414 /nfs/dbraw/zinc/96/14/14/618961414.db2.gz FDRSALXYIAOIRL-ZLKJLUDKSA-N 2 0 296.361 2.592 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)co1 ZINC000925707410 618962040 /nfs/dbraw/zinc/96/20/40/618962040.db2.gz ITJBCUMVNQRFDD-JKSUJKDBSA-N 2 0 262.397 2.580 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000925712381 618966522 /nfs/dbraw/zinc/96/65/22/618966522.db2.gz TZOGCROTSLBWQN-DLBZAZTESA-N 3 0 275.440 2.588 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000925715274 618971914 /nfs/dbraw/zinc/97/19/14/618971914.db2.gz FRCTXQRZISNVSG-FMPTWSOUSA-N 2 0 280.456 2.545 20 0 CFADRP CC1(C)COC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313027727 618972204 /nfs/dbraw/zinc/97/22/04/618972204.db2.gz GPQLXSWRRFSVGL-DLBZAZTESA-N 2 0 288.435 2.523 20 0 CFADRP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925720779 618978426 /nfs/dbraw/zinc/97/84/26/618978426.db2.gz JEESRQHIDCSUTL-BHYGNILZSA-N 2 0 280.456 2.561 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCCOc3c(F)cccc32)CC1 ZINC000893405818 618978672 /nfs/dbraw/zinc/97/86/72/618978672.db2.gz HFGUOJCSXCNNMX-INIZCTEOSA-N 2 0 292.398 2.971 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000893405819 618978822 /nfs/dbraw/zinc/97/88/22/618978822.db2.gz HFGUOJCSXCNNMX-MRXNPFEDSA-N 2 0 292.398 2.971 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925722041 618981761 /nfs/dbraw/zinc/98/17/61/618981761.db2.gz SKWRUOODMMSTDH-YIDVYQOGSA-N 2 0 280.456 2.545 20 0 CFADRP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000257662128 618987971 /nfs/dbraw/zinc/98/79/71/618987971.db2.gz CAHADXUXRUUHGF-MNOVXSKESA-N 2 0 254.324 2.697 20 0 CFADRP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC12CCC2 ZINC000893438192 618992796 /nfs/dbraw/zinc/99/27/96/618992796.db2.gz XAYUXHIALCNPMO-CQSZACIVSA-N 2 0 250.430 2.840 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc3cccnc3c2)C12CCC2 ZINC000925725737 619006157 /nfs/dbraw/zinc/00/61/57/619006157.db2.gz NJAIFYUIZDLOBD-HZPDHXFCSA-N 2 0 267.376 2.594 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000093488735 619029905 /nfs/dbraw/zinc/02/99/05/619029905.db2.gz JOIFJXCLTGLLQP-XMTFNYHQSA-N 2 0 288.435 2.620 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC(F)(F)F ZINC000093516433 619034028 /nfs/dbraw/zinc/03/40/28/619034028.db2.gz JMODIYWBVISFLC-MNOVXSKESA-N 2 0 252.324 2.839 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925734150 619043832 /nfs/dbraw/zinc/04/38/32/619043832.db2.gz NZWBXQZAZFCGPB-QNWHQSFQSA-N 2 0 288.357 2.991 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@H]1CCC12CCOCC2 ZINC000925735697 619045343 /nfs/dbraw/zinc/04/53/43/619045343.db2.gz WVFNYQCHMRTEHE-KWJBXHGQSA-N 2 0 292.467 2.689 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCC1(F)F ZINC000925735863 619045514 /nfs/dbraw/zinc/04/55/14/619045514.db2.gz IYIAXYFQEWNIJM-LYGKVCMISA-N 2 0 272.383 2.917 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCC1(F)F ZINC000925735861 619045723 /nfs/dbraw/zinc/04/57/23/619045723.db2.gz IYIAXYFQEWNIJM-FBBHTEKVSA-N 2 0 272.383 2.917 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CCC(C)(C)[NH3+])CCCN1Cc1ccccc1 ZINC000925736782 619046361 /nfs/dbraw/zinc/04/63/61/619046361.db2.gz CEFIXGKDLURLTR-NVXWUHKLSA-N 2 0 289.467 2.757 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CCCC[NH3+])c(Cl)n1 ZINC000925763845 619073940 /nfs/dbraw/zinc/07/39/40/619073940.db2.gz FIPKCJBPXUSORD-SNVBAGLBSA-N 2 0 255.793 2.651 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCc1ccccc1Br ZINC000258849355 619086797 /nfs/dbraw/zinc/08/67/97/619086797.db2.gz XDUXNWUSSKKUON-UHFFFAOYSA-N 2 0 285.229 2.533 20 0 CFADRP Clc1cscc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000925772964 619088746 /nfs/dbraw/zinc/08/87/46/619088746.db2.gz VSQOOVCGPCRKOC-CKYFFXLPSA-N 2 0 270.829 2.879 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000925774403 619091803 /nfs/dbraw/zinc/09/18/03/619091803.db2.gz NDYSLYMCHJKGHE-KKUMJFAQSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCCC1 ZINC000925779745 619101744 /nfs/dbraw/zinc/10/17/44/619101744.db2.gz ZLPUZFMBUXODDE-QWHCGFSZSA-N 2 0 260.372 2.790 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000259956323 619104392 /nfs/dbraw/zinc/10/43/92/619104392.db2.gz HAQHHLAQXHOBRG-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000925790325 619114997 /nfs/dbraw/zinc/11/49/97/619114997.db2.gz HAOCMDXANHRVAW-MDZLAQPJSA-N 2 0 284.350 2.794 20 0 CFADRP CN(CC[NH2+][C@@H]1CCOC2(CCCC2)C1)C1CCCC1 ZINC000094372756 619115536 /nfs/dbraw/zinc/11/55/36/619115536.db2.gz XCTWOPWCIAKRNR-OAHLLOKOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cnc2ccsc2c1 ZINC000925792779 619117663 /nfs/dbraw/zinc/11/76/63/619117663.db2.gz WEBUJAMSUQYCBZ-WZRBSPASSA-N 2 0 275.421 2.802 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1F ZINC000925793695 619117707 /nfs/dbraw/zinc/11/77/07/619117707.db2.gz AIFHIRDABVJUCF-MBNYWOFBSA-N 2 0 280.387 2.731 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1nc2c(s1)CCCC2 ZINC000925797676 619119938 /nfs/dbraw/zinc/11/99/38/619119938.db2.gz OYXQJQNSWISXPJ-JHJVBQTASA-N 2 0 293.480 2.918 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1Cl ZINC000925799218 619120619 /nfs/dbraw/zinc/12/06/19/619120619.db2.gz OCFPBIVLFZXJAD-GRYCIOLGSA-N 2 0 267.804 2.631 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000925803460 619123665 /nfs/dbraw/zinc/12/36/65/619123665.db2.gz OTYNPDTXELPHOB-CPUCHLNUSA-N 2 0 273.424 2.769 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc3ncccc3c2)C1 ZINC000925815761 619134348 /nfs/dbraw/zinc/13/43/48/619134348.db2.gz ZITVVVCRYSJACA-HZPDHXFCSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925826344 619151260 /nfs/dbraw/zinc/15/12/60/619151260.db2.gz MZVCAHWGTLKQPS-INMHGKMJSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893686088 619156844 /nfs/dbraw/zinc/15/68/44/619156844.db2.gz WFVRKTYUQLYWIP-SLUKUZTOSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000925827918 619157940 /nfs/dbraw/zinc/15/79/40/619157940.db2.gz YEAMXMUCEYQPGX-NRSFXHEJSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1ccccc1 ZINC000925829106 619160138 /nfs/dbraw/zinc/16/01/38/619160138.db2.gz BIIICPGGJUAXBQ-MHORFTMASA-N 2 0 286.419 2.647 20 0 CFADRP Cc1cnc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925832820 619164100 /nfs/dbraw/zinc/16/41/00/619164100.db2.gz FFGAAKOIEDKNHH-ZIAGYGMSSA-N 2 0 261.413 2.694 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250491728 619164428 /nfs/dbraw/zinc/16/44/28/619164428.db2.gz HHCHMZFDGVRVFL-KZNAEPCWSA-N 2 0 293.499 2.760 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925833019 619164502 /nfs/dbraw/zinc/16/45/02/619164502.db2.gz PZSRDJPRZUCHIE-CZUORRHYSA-N 2 0 276.399 2.964 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925833519 619164970 /nfs/dbraw/zinc/16/49/70/619164970.db2.gz SSGJMEQQIBTAEN-GMOODISLSA-N 2 0 287.329 2.698 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925834191 619165259 /nfs/dbraw/zinc/16/52/59/619165259.db2.gz XBUJWGKVZQNKBX-FQUUOJAGSA-N 2 0 290.373 2.943 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000261555672 619170356 /nfs/dbraw/zinc/17/03/56/619170356.db2.gz BQBBUSSQABLJFY-BNOWGMLFSA-N 2 0 262.422 2.811 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C1(C)C ZINC000261570227 619171429 /nfs/dbraw/zinc/17/14/29/619171429.db2.gz OHBYFEWPFDYKLI-TUVASFSCSA-N 2 0 268.445 2.545 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000261593002 619173617 /nfs/dbraw/zinc/17/36/17/619173617.db2.gz MSFTZCFEXRYYQQ-GJZGRUSLSA-N 2 0 260.381 2.538 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)c(C)o1 ZINC000925845758 619177647 /nfs/dbraw/zinc/17/76/47/619177647.db2.gz QQRUQPHMUZVGRB-HNNXBMFYSA-N 2 0 293.455 2.623 20 0 CFADRP FCCC[C@H]1CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846957 619179264 /nfs/dbraw/zinc/17/92/64/619179264.db2.gz PWFLZAZANOQNSG-SJORKVTESA-N 2 0 299.478 2.570 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCS2 ZINC000925860680 619187214 /nfs/dbraw/zinc/18/72/14/619187214.db2.gz JLZLEWBWUBKJPY-KBUPBQIOSA-N 2 0 280.481 2.782 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000925861681 619187679 /nfs/dbraw/zinc/18/76/79/619187679.db2.gz RUFOVVOQAKYLQP-MELADBBJSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCC(C)([NH+]3CCC3)CC1)[NH2+]2 ZINC000925862028 619188502 /nfs/dbraw/zinc/18/85/02/619188502.db2.gz VZRKCSVCNUBIAL-OKTHSSNHSA-N 3 0 291.483 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000925862297 619188589 /nfs/dbraw/zinc/18/85/89/619188589.db2.gz ZTYJHKOBELSBEX-FRRDWIJNSA-N 2 0 254.443 2.535 20 0 CFADRP COC[C@H]([NH2+]CCCCCC[NH3+])c1ccc(F)c(F)c1 ZINC000843340332 619210079 /nfs/dbraw/zinc/21/00/79/619210079.db2.gz BDGUKQZKZCSXTJ-HNNXBMFYSA-N 2 0 286.366 2.761 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000894212734 619264459 /nfs/dbraw/zinc/26/44/59/619264459.db2.gz BOWWJLGJUKLEPT-QAQDUYKDSA-N 2 0 258.409 2.864 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924956456 619301714 /nfs/dbraw/zinc/30/17/14/619301714.db2.gz WPAKPIYAUMDFHA-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924956453 619301784 /nfs/dbraw/zinc/30/17/84/619301784.db2.gz WPAKPIYAUMDFHA-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](C[NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCCC1 ZINC000894374892 619356881 /nfs/dbraw/zinc/35/68/81/619356881.db2.gz GNEZYLDUVMITAO-KRWDZBQOSA-N 2 0 295.515 2.820 20 0 CFADRP Clc1sccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261981573 619358359 /nfs/dbraw/zinc/35/83/59/619358359.db2.gz JEWXPWCVIFELGK-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOc2cccnc2)CC1 ZINC000925065442 619366451 /nfs/dbraw/zinc/36/64/51/619366451.db2.gz UIPKAWMEKXTRPO-UHFFFAOYSA-N 2 0 291.439 2.561 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1(CC)CC ZINC000262016427 619373140 /nfs/dbraw/zinc/37/31/40/619373140.db2.gz MSHGVBLCRDPJTO-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000894479800 619397053 /nfs/dbraw/zinc/39/70/53/619397053.db2.gz QTVNLLMFFKWEPK-HNNXBMFYSA-N 2 0 292.423 2.842 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc3c2NCCC3)CC1 ZINC000894565360 619419990 /nfs/dbraw/zinc/41/99/90/619419990.db2.gz FEEHQUCQKYXGRL-QGZVFWFLSA-N 2 0 287.451 2.961 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccccc2O1 ZINC000894688972 619444134 /nfs/dbraw/zinc/44/41/34/619444134.db2.gz IDNBSTYKEMSFHA-CZUORRHYSA-N 2 0 274.408 2.830 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2(Cc3ccc(F)cc3)CC2)CC1 ZINC000894744429 619456518 /nfs/dbraw/zinc/45/65/18/619456518.db2.gz UIDFXZGSXQIFIJ-UHFFFAOYSA-N 2 0 276.399 2.832 20 0 CFADRP COC1CCC(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000894847014 619481847 /nfs/dbraw/zinc/48/18/47/619481847.db2.gz CWXWRIAQOBICJG-UHFFFAOYSA-N 2 0 273.380 2.629 20 0 CFADRP COCCCC1(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000894861062 619487395 /nfs/dbraw/zinc/48/73/95/619487395.db2.gz OOBWJAAKBWUTNE-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@]12CCCO2)C[NH+]1CCCCC1 ZINC000880502864 619497379 /nfs/dbraw/zinc/49/73/79/619497379.db2.gz AATQDOQAWKFQMB-CVEARBPZSA-N 2 0 266.429 2.554 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000894979592 619520923 /nfs/dbraw/zinc/52/09/23/619520923.db2.gz XYTNZFWXQAGCFL-IYXRBSQSSA-N 2 0 258.475 2.981 20 0 CFADRP COc1ccc2[nH+]ccc(N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)c2c1 ZINC000895022108 619528946 /nfs/dbraw/zinc/52/89/46/619528946.db2.gz KNLGJSDQRNXDTB-DYVFJYSZSA-N 2 0 297.402 2.774 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000895545885 619552242 /nfs/dbraw/zinc/55/22/42/619552242.db2.gz IEEQHYUWHICUNV-INIZCTEOSA-N 2 0 294.414 2.809 20 0 CFADRP Cc1occc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556039 619554414 /nfs/dbraw/zinc/55/44/14/619554414.db2.gz FMRQYHZVZQYHDU-CYBMUJFWSA-N 2 0 271.364 2.694 20 0 CFADRP COCCCC1(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CCC1 ZINC000895586917 619561346 /nfs/dbraw/zinc/56/13/46/619561346.db2.gz APXJTSIHGYSSAV-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP CCC[C@@H](C[N@H+](C)CCCC[NH+]1CCCCC1)OC ZINC000895683247 619585903 /nfs/dbraw/zinc/58/59/03/619585903.db2.gz KIRKMBWUCPRYPG-INIZCTEOSA-N 2 0 270.461 2.999 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000896031518 619657210 /nfs/dbraw/zinc/65/72/10/619657210.db2.gz RMXDTBDNHWGXPB-IAGOWNOFSA-N 2 0 276.399 2.943 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000896034423 619657642 /nfs/dbraw/zinc/65/76/42/619657642.db2.gz BBYVGDODZHBDDL-SFHVURJKSA-N 3 0 298.434 2.556 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC1CC[NH+](C)CC1 ZINC000896029788 619658787 /nfs/dbraw/zinc/65/87/87/619658787.db2.gz FGLNFFYMXIYDOY-UHFFFAOYSA-N 3 0 281.488 2.526 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)CC1 ZINC000896055737 619662619 /nfs/dbraw/zinc/66/26/19/619662619.db2.gz XUBRZBJMEPONFJ-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000054243026 619862165 /nfs/dbraw/zinc/86/21/65/619862165.db2.gz JNYLEUBGJWDODZ-OAHLLOKOSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144077 619968104 /nfs/dbraw/zinc/96/81/04/619968104.db2.gz SSUNPJVGMCWNQG-RLFYNMQTSA-N 2 0 289.467 2.882 20 0 CFADRP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000909607416 619996188 /nfs/dbraw/zinc/99/61/88/619996188.db2.gz ZLRBGBXCRLUIDX-MRXNPFEDSA-N 2 0 291.439 2.581 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(Cl)cc1[O-] ZINC000144739240 620012043 /nfs/dbraw/zinc/01/20/43/620012043.db2.gz OXLOKFVTFLYOBL-LLVKDONJSA-N 2 0 279.771 2.983 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925216746 620028035 /nfs/dbraw/zinc/02/80/35/620028035.db2.gz UFRSVUDNYOBMSG-INIZCTEOSA-N 2 0 297.531 2.919 20 0 CFADRP Cc1nonc1[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229138 620049033 /nfs/dbraw/zinc/04/90/33/620049033.db2.gz MELYATYDDBPDMV-LRVUVFPRSA-N 2 0 292.427 2.826 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925229314 620049416 /nfs/dbraw/zinc/04/94/16/620049416.db2.gz MZZPXRMYCIDEHP-ZGRYLRDCSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000925233410 620057905 /nfs/dbraw/zinc/05/79/05/620057905.db2.gz VJGSFVIMPFTHMY-HNNXBMFYSA-N 2 0 284.488 2.741 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000925233411 620057955 /nfs/dbraw/zinc/05/79/55/620057955.db2.gz VJGSFVIMPFTHMY-OAHLLOKOSA-N 2 0 284.488 2.741 20 0 CFADRP CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925243205 620064765 /nfs/dbraw/zinc/06/47/65/620064765.db2.gz FBCJWNUGAZPGLC-GJZGRUSLSA-N 2 0 278.440 2.807 20 0 CFADRP C[N@@H+]1CC[C@H](NCc2cnn(CC3CCC3)c2)CC1(C)C ZINC000897429318 620140408 /nfs/dbraw/zinc/14/04/08/620140408.db2.gz DIZXLTGKJANFCO-INIZCTEOSA-N 2 0 290.455 2.646 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000897453077 620174672 /nfs/dbraw/zinc/17/46/72/620174672.db2.gz ZYTHCLWZOKYODJ-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC000841007969 620214605 /nfs/dbraw/zinc/21/46/05/620214605.db2.gz LQAIXFUJTIXZFV-KBPBESRZSA-N 2 0 264.388 2.688 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925304051 620239317 /nfs/dbraw/zinc/23/93/17/620239317.db2.gz QAKCAPLMEDLAGI-JKSUJKDBSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1cc(C)cc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000897620891 620262165 /nfs/dbraw/zinc/26/21/65/620262165.db2.gz ZURJRHRWSMXUGA-MSOLQXFVSA-N 2 0 272.436 2.729 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000897981644 620317720 /nfs/dbraw/zinc/31/77/20/620317720.db2.gz PJBTYVUNXMJZTC-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)(C)O ZINC000898126456 620337493 /nfs/dbraw/zinc/33/74/93/620337493.db2.gz SHPBOMVZJIHPFS-OFQRWUPVSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@@H](O)C3CC3)CC2)C1 ZINC000898203734 620344348 /nfs/dbraw/zinc/34/43/48/620344348.db2.gz HTFVTABAERFRHA-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000841055277 620422537 /nfs/dbraw/zinc/42/25/37/620422537.db2.gz MUNWVWDIVSKNRC-LSDHHAIUSA-N 2 0 262.397 2.672 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873222233 620435665 /nfs/dbraw/zinc/43/56/65/620435665.db2.gz HUKGGTPWYXLEJM-APHBMKBZSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000924667573 620436632 /nfs/dbraw/zinc/43/66/32/620436632.db2.gz OHUVFTIWLCMLIA-QBPKDAKJSA-N 2 0 282.472 2.758 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000927037244 620444831 /nfs/dbraw/zinc/44/48/31/620444831.db2.gz MGKADIIXBKXNBA-JCCCHCCOSA-N 2 0 278.440 2.551 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037313 620444960 /nfs/dbraw/zinc/44/49/60/620444960.db2.gz JBLDAMOGQYLZNT-KTAKPFMOSA-N 2 0 290.455 2.786 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000924706814 620447674 /nfs/dbraw/zinc/44/76/74/620447674.db2.gz KAWIWBIIIPWWCM-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927129982 620461040 /nfs/dbraw/zinc/46/10/40/620461040.db2.gz QUMFIFYOMMBEDH-KBMXLJTQSA-N 2 0 278.440 2.551 20 0 CFADRP Cn1ncc(-c2ccc(C[NH+]3CCCCC3)cc2)c1C[NH3+] ZINC000899318687 620544568 /nfs/dbraw/zinc/54/45/68/620544568.db2.gz ALHQUOBJKRQMTL-UHFFFAOYSA-N 2 0 284.407 2.532 20 0 CFADRP [NH3+]C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)C1CCCCCC1 ZINC000900010535 620622255 /nfs/dbraw/zinc/62/22/55/620622255.db2.gz SNUHSBJNCLCJKC-CHWSQXEVSA-N 2 0 278.400 2.507 20 0 CFADRP CCn1cnc(C[NH2+][C@H](C)CCC[NH+](CC)CC)c1 ZINC000902026055 620954218 /nfs/dbraw/zinc/95/42/18/620954218.db2.gz MQZDGRKLFQHXAW-CQSZACIVSA-N 2 0 266.433 2.503 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000902063879 620972280 /nfs/dbraw/zinc/97/22/80/620972280.db2.gz KYAKSSBQIDVKPH-AWEZNQCLSA-N 2 0 273.424 2.692 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccccc2NC)CC1 ZINC000902274836 621021699 /nfs/dbraw/zinc/02/16/99/621021699.db2.gz DPIZMDNRUBQNTC-UHFFFAOYSA-N 2 0 275.440 2.940 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCSC(F)(F)F)C1 ZINC000902321199 621024164 /nfs/dbraw/zinc/02/41/64/621024164.db2.gz VMMTYHRWMORBPS-SECBINFHSA-N 2 0 270.364 2.607 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCCNc2ccccn2)C1 ZINC000902316279 621031012 /nfs/dbraw/zinc/03/10/12/621031012.db2.gz BOGGJGOOJQJDJM-HNNXBMFYSA-N 2 0 290.455 2.642 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347513 621035156 /nfs/dbraw/zinc/03/51/56/621035156.db2.gz MJROIAVSYQNRPD-OAHLLOKOSA-N 2 0 276.424 2.742 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCNc2ccccc2)C1 ZINC000902327599 621037081 /nfs/dbraw/zinc/03/70/81/621037081.db2.gz FGSAKNBXYIMZDA-INIZCTEOSA-N 2 0 275.440 2.856 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)C1 ZINC000902326762 621037502 /nfs/dbraw/zinc/03/75/02/621037502.db2.gz DRWQCJKUFQRHEK-IRXDYDNUSA-N 2 0 290.451 2.520 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000902332355 621039123 /nfs/dbraw/zinc/03/91/23/621039123.db2.gz DWTQQRZDKVAEEW-CYBMUJFWSA-N 2 0 252.427 2.658 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccsc1 ZINC000902334588 621040691 /nfs/dbraw/zinc/04/06/91/621040691.db2.gz QZSDZCRTWXXDQZ-LSDHHAIUSA-N 2 0 295.496 2.719 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000902336664 621041754 /nfs/dbraw/zinc/04/17/54/621041754.db2.gz ZTBWIJUCRFLNHC-OAHLLOKOSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371362 621044342 /nfs/dbraw/zinc/04/43/42/621044342.db2.gz OYVQRVJRIUPIOY-ZDUSSCGKSA-N 2 0 266.454 2.967 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902373081 621044808 /nfs/dbraw/zinc/04/48/08/621044808.db2.gz WYTQKDIJADGESO-CQSZACIVSA-N 2 0 280.387 2.702 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC[C@H]2CCCCO2)C1 ZINC000902373828 621045891 /nfs/dbraw/zinc/04/58/91/621045891.db2.gz FYQXPYBIGLLJKI-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375779 621046194 /nfs/dbraw/zinc/04/61/94/621046194.db2.gz FOTYZTXZGHBSPN-JYJNAYRXSA-N 2 0 282.472 2.948 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CCO)C2CCCCC2)C1 ZINC000902358536 621051840 /nfs/dbraw/zinc/05/18/40/621051840.db2.gz CJIWJJMXSAKQNT-HOTGVXAUSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359836 621052413 /nfs/dbraw/zinc/05/24/13/621052413.db2.gz HEMAFXBWIPNDBL-ZFWWWQNUSA-N 2 0 276.424 2.691 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1 ZINC000902363376 621053644 /nfs/dbraw/zinc/05/36/44/621053644.db2.gz LVCUMYWKITYXTF-GJZGRUSLSA-N 2 0 276.424 2.822 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362527 621053986 /nfs/dbraw/zinc/05/39/86/621053986.db2.gz XZJIYAORBIACLD-HOCLYGCPSA-N 2 0 270.461 2.541 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000902364643 621054449 /nfs/dbraw/zinc/05/44/49/621054449.db2.gz UBRVNFCVBWOXCY-IUODEOHRSA-N 2 0 274.408 2.747 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000902405880 621055010 /nfs/dbraw/zinc/05/50/10/621055010.db2.gz QCYCLUKWBFVURU-GARJFASQSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCS1 ZINC000902406830 621055519 /nfs/dbraw/zinc/05/55/19/621055519.db2.gz UOWSNKMRMSMZTE-JHJVBQTASA-N 2 0 256.459 2.638 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C1 ZINC000902385044 621060033 /nfs/dbraw/zinc/06/00/33/621060033.db2.gz RAYFWAADHQQFQA-GFCCVEGCSA-N 2 0 299.365 2.551 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000902389366 621061677 /nfs/dbraw/zinc/06/16/77/621061677.db2.gz UAMPPWHPHNVABT-INIZCTEOSA-N 3 0 281.488 2.620 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392510 621062938 /nfs/dbraw/zinc/06/29/38/621062938.db2.gz ISMDELRIKBNQJE-BLLLJJGKSA-N 3 0 299.409 2.852 20 0 CFADRP COCc1csc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902396675 621064792 /nfs/dbraw/zinc/06/47/92/621064792.db2.gz GBBCKFYXKNGKAV-ZDUSSCGKSA-N 2 0 282.453 2.762 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2nc3c(s2)CCC3)C1 ZINC000902403466 621068518 /nfs/dbraw/zinc/06/85/18/621068518.db2.gz GYMOTPUJWCHSIK-LBPRGKRZSA-N 2 0 293.480 2.542 20 0 CFADRP CC1(C)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902403269 621068675 /nfs/dbraw/zinc/06/86/75/621068675.db2.gz QSTATXCCYSMPOP-KGLIPLIRSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)C1CCC(F)(F)CC1 ZINC000902443559 621082493 /nfs/dbraw/zinc/08/24/93/621082493.db2.gz LASXRRPODIHXJD-ZYHUDNBSSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000902413921 621084638 /nfs/dbraw/zinc/08/46/38/621084638.db2.gz PQZZJZNMZILLRY-GHMZBOCLSA-N 2 0 275.421 2.869 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902448060 621090456 /nfs/dbraw/zinc/09/04/56/621090456.db2.gz XLSIBEWXCNSVOY-CJFPBWAHSA-N 2 0 290.476 2.961 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[NH2+]CC3(C)C)CC2)C1 ZINC000902451801 621091954 /nfs/dbraw/zinc/09/19/54/621091954.db2.gz YAFWAWNWAYGGOJ-HYVNUMGLSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2nonc2c1 ZINC000902452768 621092470 /nfs/dbraw/zinc/09/24/70/621092470.db2.gz ANYYUNCGEHFIOQ-GXTWGEPZSA-N 2 0 288.395 2.623 20 0 CFADRP CC1(C)CCN(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000902453412 621093237 /nfs/dbraw/zinc/09/32/37/621093237.db2.gz CCNLWURBJHKDAO-KRWDZBQOSA-N 2 0 289.467 2.788 20 0 CFADRP C1=CCC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000902453390 621093303 /nfs/dbraw/zinc/09/33/03/621093303.db2.gz BYXKKIJAHVTLDU-BSDSXHPESA-N 2 0 292.467 2.870 20 0 CFADRP FC1(F)CC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000902457487 621094913 /nfs/dbraw/zinc/09/49/13/621094913.db2.gz SEMAIZDDWBAZPK-NWDGAFQWSA-N 2 0 258.356 2.686 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000902457396 621095003 /nfs/dbraw/zinc/09/50/03/621095003.db2.gz RQQPLPXXLCJQIQ-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902461781 621096591 /nfs/dbraw/zinc/09/65/91/621096591.db2.gz RQMJAYBUALCTBK-WFASDCNBSA-N 2 0 291.439 2.847 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)C[C@@H]([NH3+])C1 ZINC000902462620 621097324 /nfs/dbraw/zinc/09/73/24/621097324.db2.gz WDRFKOAIMMJKNQ-RDBSUJKOSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCC(F)(F)CC1 ZINC000902464386 621098127 /nfs/dbraw/zinc/09/81/27/621098127.db2.gz CCBWAMVIUOHOBI-FOUMNBMASA-N 2 0 258.356 2.683 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902471257 621101557 /nfs/dbraw/zinc/10/15/57/621101557.db2.gz LITPDGPWRPYTKP-RSRPTUBKSA-N 2 0 299.462 2.522 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1Br ZINC000902490074 621102182 /nfs/dbraw/zinc/10/21/82/621102182.db2.gz VLYJHRSKPRKFPN-DCAQKATOSA-N 2 0 283.213 2.837 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000902490918 621102295 /nfs/dbraw/zinc/10/22/95/621102295.db2.gz YJPFIEDHZFIYPB-CKYFFXLPSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccccc1Br ZINC000902490075 621102296 /nfs/dbraw/zinc/10/22/96/621102296.db2.gz VLYJHRSKPRKFPN-GMTAPVOTSA-N 2 0 283.213 2.837 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000902491387 621103098 /nfs/dbraw/zinc/10/30/98/621103098.db2.gz WSKPORMLGUPCRZ-RCBQFDQVSA-N 2 0 274.408 2.790 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000902501877 621106498 /nfs/dbraw/zinc/10/64/98/621106498.db2.gz CUQFVBGDIWGLKZ-ZIAGYGMSSA-N 2 0 278.444 2.851 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C1 ZINC000902485150 621110901 /nfs/dbraw/zinc/11/09/01/621110901.db2.gz ICWQXETUCWUUQS-HJWJTTGWSA-N 2 0 258.409 2.824 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000902485741 621111579 /nfs/dbraw/zinc/11/15/79/621111579.db2.gz NLBABCCGGUYJNY-IXPVHAAZSA-N 2 0 268.351 2.989 20 0 CFADRP Cc1cc([C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)c2cccnc2)ccc1F ZINC000902486120 621111605 /nfs/dbraw/zinc/11/16/05/621111605.db2.gz PUCBEGJKLQGMPH-MZMPZRCHSA-N 2 0 299.393 2.945 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc(Br)c1 ZINC000902486831 621111967 /nfs/dbraw/zinc/11/19/67/621111967.db2.gz CQTQVKIPOAMBFE-GIPNMCIBSA-N 2 0 283.213 2.837 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000902486738 621112277 /nfs/dbraw/zinc/11/22/77/621112277.db2.gz RQLWFUDDDUTGQY-XOUADPBQSA-N 2 0 274.408 2.559 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000902487288 621112594 /nfs/dbraw/zinc/11/25/94/621112594.db2.gz SOEXDMSDVVMELX-WFBYXXMGSA-N 2 0 295.224 2.763 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902516397 621114915 /nfs/dbraw/zinc/11/49/15/621114915.db2.gz DGISRTGAFCSCCU-OFQRWUPVSA-N 2 0 292.398 2.572 20 0 CFADRP C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1cnccc1N ZINC000902516383 621114972 /nfs/dbraw/zinc/11/49/72/621114972.db2.gz CXSSEHVJYZCIFF-HZMBPMFUSA-N 2 0 287.794 2.966 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000902586183 621131655 /nfs/dbraw/zinc/13/16/55/621131655.db2.gz ZOXLVKDLWOYZNC-MQVJKMGUSA-N 2 0 273.424 2.752 20 0 CFADRP C(CN1CCCC1)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902725900 621158924 /nfs/dbraw/zinc/15/89/24/621158924.db2.gz HWRWVWAWVVPEGP-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)C1 ZINC000902752998 621165322 /nfs/dbraw/zinc/16/53/22/621165322.db2.gz NMLHQMPMHBGUIM-INMHGKMJSA-N 2 0 288.435 2.558 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902766368 621169187 /nfs/dbraw/zinc/16/91/87/621169187.db2.gz IWHUWXURMGQIIJ-BRWVUGGUSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000902779600 621171624 /nfs/dbraw/zinc/17/16/24/621171624.db2.gz YAAYHNZNEZHLPM-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC)C2)C1 ZINC000902779601 621171806 /nfs/dbraw/zinc/17/18/06/621171806.db2.gz YAAYHNZNEZHLPM-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902794847 621178734 /nfs/dbraw/zinc/17/87/34/621178734.db2.gz ZFGNKRNEMBSDIH-OIGKAMSRSA-N 2 0 292.467 2.510 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000902797436 621180000 /nfs/dbraw/zinc/18/00/00/621180000.db2.gz VYIHVZFPRKEHPX-DOTOQJQBSA-N 2 0 282.472 2.759 20 0 CFADRP CN1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902975619 621215840 /nfs/dbraw/zinc/21/58/40/621215840.db2.gz HTIPIUVHPHJWDG-OVYBAWALSA-N 2 0 292.467 2.510 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1 ZINC000903014891 621221820 /nfs/dbraw/zinc/22/18/20/621221820.db2.gz AOUPJJBWZHNUQB-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C[NH+](C)C ZINC000902999157 621224496 /nfs/dbraw/zinc/22/44/96/621224496.db2.gz KYONTORUCPUDOM-PVAVHDDUSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1COc2ccccc2C1 ZINC000903042450 621232129 /nfs/dbraw/zinc/23/21/29/621232129.db2.gz CQYLEIWVCQROJZ-JHNDHUHGSA-N 2 0 288.435 2.556 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000903076748 621243894 /nfs/dbraw/zinc/24/38/94/621243894.db2.gz BEUPMMAIWDEYRG-INIZCTEOSA-N 2 0 290.455 2.887 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903069522 621249874 /nfs/dbraw/zinc/24/98/74/621249874.db2.gz XHDHGRFXRGQSCF-DUZACMNTSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903069523 621249980 /nfs/dbraw/zinc/24/99/80/621249980.db2.gz XHDHGRFXRGQSCF-UNPWZGGWSA-N 2 0 291.483 2.608 20 0 CFADRP CCCC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098114 621251489 /nfs/dbraw/zinc/25/14/89/621251489.db2.gz LKFNSGOEKAUROV-ZBSSRIJBSA-N 2 0 280.456 2.939 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CSCCS1 ZINC000903108755 621256186 /nfs/dbraw/zinc/25/61/86/621256186.db2.gz BJBDADYDORTJOI-FBAPMCOASA-N 2 0 298.521 2.582 20 0 CFADRP CC(C)(C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903097605 621259487 /nfs/dbraw/zinc/25/94/87/621259487.db2.gz GYNXBADNFKKNPR-YPAMNDHTSA-N 2 0 280.456 2.531 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C)C1 ZINC000903097627 621259599 /nfs/dbraw/zinc/25/95/99/621259599.db2.gz HETOZXDAUFCGSV-DFBDCSAJSA-N 2 0 294.483 2.902 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CCSCC1)C2 ZINC000903116130 621260320 /nfs/dbraw/zinc/26/03/20/621260320.db2.gz KUNRCJRLDWAEPG-LQDVMPOASA-N 2 0 266.454 2.629 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cnn(CC2CCC2)c1 ZINC000903130111 621263430 /nfs/dbraw/zinc/26/34/30/621263430.db2.gz AXPBJRDAFJMSKF-AWEZNQCLSA-N 2 0 288.439 2.596 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1(C)C ZINC000903160940 621270793 /nfs/dbraw/zinc/27/07/93/621270793.db2.gz BHKLEIJMGQWBLE-KFWWJZLASA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)[C@H]2CCC[C@H]21 ZINC000903164761 621272095 /nfs/dbraw/zinc/27/20/95/621272095.db2.gz PMPAYUXSANMLHU-MHKQFDIHSA-N 2 0 262.441 2.885 20 0 CFADRP COC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903177019 621275239 /nfs/dbraw/zinc/27/52/39/621275239.db2.gz GSGYITMEMSFCPA-VHRNVKJDSA-N 2 0 278.440 2.693 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903177399 621275955 /nfs/dbraw/zinc/27/59/55/621275955.db2.gz MHXURRALEYNFEW-IBWRZXHSSA-N 2 0 280.456 2.795 20 0 CFADRP COCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903182701 621277505 /nfs/dbraw/zinc/27/75/05/621277505.db2.gz FMZWPAVHGGWCSO-ZXFUBFMLSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H](C)O1 ZINC000903185134 621278461 /nfs/dbraw/zinc/27/84/61/621278461.db2.gz HSWVGSWFMIHZGL-PVMWWFDVSA-N 2 0 278.440 2.547 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903192967 621280940 /nfs/dbraw/zinc/28/09/40/621280940.db2.gz BKLDJWMCQKZFAM-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1SCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195148 621281276 /nfs/dbraw/zinc/28/12/76/621281276.db2.gz VLQMUNLXASSDBI-VHOIETNVSA-N 2 0 266.454 2.628 20 0 CFADRP Cc1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(C)c1 ZINC000903196268 621281841 /nfs/dbraw/zinc/28/18/41/621281841.db2.gz LBSABWSHKQKUEC-ZNXRZULTSA-N 2 0 299.462 2.988 20 0 CFADRP CN(C)c1cc[nH+]c(CNC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000903200651 621283177 /nfs/dbraw/zinc/28/31/77/621283177.db2.gz AULCTZLSWABLTN-UHFFFAOYSA-N 2 0 290.455 2.500 20 0 CFADRP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1(F)F ZINC000903199938 621283452 /nfs/dbraw/zinc/28/34/52/621283452.db2.gz ILZIARDSHHNUBS-VWPFFFCUSA-N 2 0 270.367 2.779 20 0 CFADRP c1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)co1 ZINC000903200280 621283509 /nfs/dbraw/zinc/28/35/09/621283509.db2.gz NOOWFMJUFFKEFR-VHRNVKJDSA-N 2 0 260.381 2.570 20 0 CFADRP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903226689 621287014 /nfs/dbraw/zinc/28/70/14/621287014.db2.gz LWAJPYQHIZNKRU-ZBSSRIJBSA-N 2 0 280.456 2.652 20 0 CFADRP CC1(C)CO[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903216813 621291278 /nfs/dbraw/zinc/29/12/78/621291278.db2.gz IZHPNQVEVUZLOY-WDVRLDOZSA-N 2 0 278.440 2.549 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CCC[C@]13CCCO3)C2 ZINC000903220098 621292401 /nfs/dbraw/zinc/29/24/01/621292401.db2.gz KHZYGKPRDODRMM-JQWQUYJUSA-N 2 0 290.451 2.836 20 0 CFADRP C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)C1CC[NH+](C)CC1 ZINC000903239437 621294422 /nfs/dbraw/zinc/29/44/22/621294422.db2.gz FOGMVZWYOUWKDU-CQSZACIVSA-N 2 0 290.455 2.503 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CC2)[C@H]2CCC[C@H]21 ZINC000903244184 621295786 /nfs/dbraw/zinc/29/57/86/621295786.db2.gz NTYWPUQQAPYXCP-QLFBSQMISA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903307833 621326280 /nfs/dbraw/zinc/32/62/80/621326280.db2.gz LHBHZGNXSFNOBN-IRXDYDNUSA-N 2 0 288.435 2.512 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@H]1CCOC13CCCC3)C2 ZINC000903391327 621350537 /nfs/dbraw/zinc/35/05/37/621350537.db2.gz ZSEQWZBXDYQUFJ-YQAQFAQXSA-N 2 0 290.451 2.836 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903429564 621370965 /nfs/dbraw/zinc/37/09/65/621370965.db2.gz HBPUVLNVUCJNAE-WZRBSPASSA-N 2 0 268.351 2.813 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000903429266 621371114 /nfs/dbraw/zinc/37/11/14/621371114.db2.gz BZTSFRGIZSFYMD-PVAVHDDUSA-N 2 0 258.409 2.549 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000903429638 621371147 /nfs/dbraw/zinc/37/11/47/621371147.db2.gz JSTVBIUZBXLBIB-BMGDILEWSA-N 2 0 288.435 2.559 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000903429640 621371287 /nfs/dbraw/zinc/37/12/87/621371287.db2.gz JSTVBIUZBXLBIB-QGTPRVQTSA-N 2 0 288.435 2.559 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000903431398 621371861 /nfs/dbraw/zinc/37/18/61/621371861.db2.gz MKBFPQDWCPYEOX-XBFCOCLRSA-N 2 0 250.411 2.741 20 0 CFADRP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431707 621372980 /nfs/dbraw/zinc/37/29/80/621372980.db2.gz WDEUTBIYDYZZNF-HIFRSBDPSA-N 2 0 264.388 2.892 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000903440191 621377279 /nfs/dbraw/zinc/37/72/79/621377279.db2.gz VWXFOUDJOGVKKG-JKJDWNRSSA-N 2 0 280.456 2.639 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903459230 621380733 /nfs/dbraw/zinc/38/07/33/621380733.db2.gz SDBRDZCLSWAJMM-ZIAGYGMSSA-N 2 0 290.398 2.640 20 0 CFADRP Cc1ccc(N2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000903442410 621382787 /nfs/dbraw/zinc/38/27/87/621382787.db2.gz OVLAXPMHENOSIM-SJORKVTESA-N 2 0 287.451 2.635 20 0 CFADRP CN(C)c1cccc([C@@H]2CCCN2C[C@H]2CCC[NH2+]2)c1 ZINC000903443837 621383431 /nfs/dbraw/zinc/38/34/31/621383431.db2.gz JVXJTYWNIMEMGS-WBVHZDCISA-N 2 0 273.424 2.642 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1[NH3+] ZINC000903449456 621385801 /nfs/dbraw/zinc/38/58/01/621385801.db2.gz BHJIKAWYKYBFPN-HIFRSBDPSA-N 2 0 257.381 2.727 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(CCCn3ccnc3)CC2)C1 ZINC000903456727 621388543 /nfs/dbraw/zinc/38/85/43/621388543.db2.gz KCVPQFHBBDYGRV-DLBZAZTESA-N 2 0 290.455 2.503 20 0 CFADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000903456016 621388806 /nfs/dbraw/zinc/38/88/06/621388806.db2.gz CBEFJWDIRPNHQA-MBNYWOFBSA-N 2 0 293.480 2.870 20 0 CFADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476110 621390943 /nfs/dbraw/zinc/39/09/43/621390943.db2.gz NOPVLVLSXKJCRH-DOMZBBRYSA-N 2 0 257.381 2.727 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCOC2CC2)C1)C1CCCC1 ZINC000903482517 621392265 /nfs/dbraw/zinc/39/22/65/621392265.db2.gz KATISTXQPAVGHU-RHSMWYFYSA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+][C@H](C[C@H]1CCCN(Cc2cnns2)C1)C1CCCC1 ZINC000903482271 621392382 /nfs/dbraw/zinc/39/23/82/621392382.db2.gz AAWOQRQCVAHJBO-IUODEOHRSA-N 2 0 294.468 2.658 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484241 621392963 /nfs/dbraw/zinc/39/29/63/621392963.db2.gz PXACJKQQHMFZQF-KRWDZBQOSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1CC[NH3+] ZINC000903500219 621394130 /nfs/dbraw/zinc/39/41/30/621394130.db2.gz WSLPJZVEASGKKP-TZMCWYRMSA-N 2 0 252.427 2.597 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@H]1CC[NH3+] ZINC000903499327 621394180 /nfs/dbraw/zinc/39/41/80/621394180.db2.gz REEJGFQKQBMLQN-DTZQCDIJSA-N 2 0 294.389 2.952 20 0 CFADRP FC1(F)C[C@]2(CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)C1(F)F ZINC000903491157 621394988 /nfs/dbraw/zinc/39/49/88/621394988.db2.gz XUDVGFJHQLNBST-NEPJUHHUSA-N 2 0 294.336 2.743 20 0 CFADRP Cn1ccc(C2CC[NH+](CCCCCCC[NH3+])CC2)n1 ZINC000903564507 621396526 /nfs/dbraw/zinc/39/65/26/621396526.db2.gz XZFOVXSVAIMHSD-UHFFFAOYSA-N 2 0 278.444 2.509 20 0 CFADRP C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000903566675 621396892 /nfs/dbraw/zinc/39/68/92/621396892.db2.gz XTZAXPBQCHNTKE-BFYDXBDKSA-N 2 0 258.409 2.864 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717989 621424427 /nfs/dbraw/zinc/42/44/27/621424427.db2.gz GWTBMGLGLCIROG-JKSUJKDBSA-N 2 0 294.826 2.540 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717876 621424834 /nfs/dbraw/zinc/42/48/34/621424834.db2.gz FGRFXVAXCBSXTE-BZSNNMDCSA-N 2 0 286.419 2.592 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903718268 621425543 /nfs/dbraw/zinc/42/55/43/621425543.db2.gz JQSXWLAFCBMJLF-MRXNPFEDSA-N 2 0 276.424 2.695 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718223 621425731 /nfs/dbraw/zinc/42/57/31/621425731.db2.gz IVXVFGIRDRBRGV-CVEARBPZSA-N 2 0 294.826 2.540 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000903721694 621425979 /nfs/dbraw/zinc/42/59/79/621425979.db2.gz DIPIFOZOBYZEHF-MRXNPFEDSA-N 2 0 276.424 2.777 20 0 CFADRP CC(C)COC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903721944 621426042 /nfs/dbraw/zinc/42/60/42/621426042.db2.gz GKMIVPLNMXXWRG-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000903722306 621426715 /nfs/dbraw/zinc/42/67/15/621426715.db2.gz KJUVANFHKKPADV-OAHLLOKOSA-N 2 0 268.445 2.512 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000903724174 621427482 /nfs/dbraw/zinc/42/74/82/621427482.db2.gz LPKBWBMRJMPVKO-OKZBNKHCSA-N 2 0 292.467 2.800 20 0 CFADRP CN(Cc1ccc(F)c(F)c1)C[C@H]1CCCC[NH2+]C1 ZINC000903724463 621427822 /nfs/dbraw/zinc/42/78/22/621427822.db2.gz NTIPJPOCLKEWJF-ZDUSSCGKSA-N 2 0 268.351 2.786 20 0 CFADRP CCC(CC)(CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903733170 621429404 /nfs/dbraw/zinc/42/94/04/621429404.db2.gz KTWVNSFUOGOKHL-AWEZNQCLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903729182 621429489 /nfs/dbraw/zinc/42/94/89/621429489.db2.gz KFZCSPPZAQEUKL-KGLIPLIRSA-N 2 0 262.397 2.775 20 0 CFADRP CC[C@@H](C)C[N@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903731878 621429667 /nfs/dbraw/zinc/42/96/67/621429667.db2.gz DAUYVXOIWMVJCN-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC(C)(C)CC1 ZINC000903731911 621429700 /nfs/dbraw/zinc/42/97/00/621429700.db2.gz DGJKBTYPQHOCFJ-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903732611 621430139 /nfs/dbraw/zinc/43/01/39/621430139.db2.gz GWCGTEKMKOEVFE-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734109 621433562 /nfs/dbraw/zinc/43/35/62/621433562.db2.gz VJPRVCFFMRAIMR-UIBIWLFHSA-N 2 0 294.483 2.950 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903734877 621433613 /nfs/dbraw/zinc/43/36/13/621433613.db2.gz WXLGTMNYBDIIRP-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000903734639 621433733 /nfs/dbraw/zinc/43/37/33/621433733.db2.gz UHOVYYDNMUQOMU-NUJGCVRESA-N 2 0 288.435 2.838 20 0 CFADRP CCC[C@]1(C)CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734955 621433787 /nfs/dbraw/zinc/43/37/87/621433787.db2.gz XYBFTOWLBPYBRA-BRWVUGGUSA-N 2 0 280.456 2.657 20 0 CFADRP CC1(C)CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734719 621433924 /nfs/dbraw/zinc/43/39/24/621433924.db2.gz VGWYBTFYZLLDSM-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000903734638 621433982 /nfs/dbraw/zinc/43/39/82/621433982.db2.gz UHOVYYDNMUQOMU-JFIYKMOQSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1cc(C)nc(CN2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000903759927 621435951 /nfs/dbraw/zinc/43/59/51/621435951.db2.gz UQCVAKZOZMKZAR-SFHVURJKSA-N 2 0 281.403 2.845 20 0 CFADRP Cc1cc(C)nc(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000903759926 621436265 /nfs/dbraw/zinc/43/62/65/621436265.db2.gz UQCVAKZOZMKZAR-GOSISDBHSA-N 2 0 281.403 2.845 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000903767625 621437349 /nfs/dbraw/zinc/43/73/49/621437349.db2.gz YAUHMKVQUAGSGE-KURKYZTESA-N 2 0 292.467 2.657 20 0 CFADRP COc1nc(C)cc(C)c1CN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903770645 621437651 /nfs/dbraw/zinc/43/76/51/621437651.db2.gz XMRFCDHWDYWXQS-OAHLLOKOSA-N 2 0 291.439 2.529 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000903770122 621438154 /nfs/dbraw/zinc/43/81/54/621438154.db2.gz SUHQCORYNYWIQQ-BBWFWOEESA-N 2 0 292.467 2.800 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000903758745 621438544 /nfs/dbraw/zinc/43/85/44/621438544.db2.gz LWUHHKFTEMGIJK-HOTGVXAUSA-N 2 0 298.434 2.913 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000903790934 621439245 /nfs/dbraw/zinc/43/92/45/621439245.db2.gz IQUWPXRJPIIHLL-UHFFFAOYSA-N 2 0 277.412 2.749 20 0 CFADRP [NH3+][C@@H]1CCCCCN(Cc2ccccc2CF)C1 ZINC000903775058 621439493 /nfs/dbraw/zinc/43/94/93/621439493.db2.gz GTXDYXSDPYXOLE-OAHLLOKOSA-N 2 0 250.361 2.859 20 0 CFADRP C[N@H+](CCCCCC[NH3+])C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903781292 621440940 /nfs/dbraw/zinc/44/09/40/621440940.db2.gz PKXMKOPEBBPUTQ-OLZOCXBDSA-N 2 0 296.377 2.937 20 0 CFADRP COCCCCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814602 621442694 /nfs/dbraw/zinc/44/26/94/621442694.db2.gz NMWZRSXSZOJNDN-OAHLLOKOSA-N 2 0 268.445 2.787 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCCCCCO)CCC1 ZINC000903814967 621442828 /nfs/dbraw/zinc/44/28/28/621442828.db2.gz OTCSYANJTUAWAY-OAHLLOKOSA-N 2 0 268.445 2.523 20 0 CFADRP Cc1cc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c(C)s1 ZINC000903817611 621443867 /nfs/dbraw/zinc/44/38/67/621443867.db2.gz AMWWIQWKHHIEQI-UHFFFAOYSA-N 2 0 294.464 2.709 20 0 CFADRP C(C[NH+]1CCC(CC2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000903824658 621450044 /nfs/dbraw/zinc/45/00/44/621450044.db2.gz SYRFWBKUCSCWMW-UHFFFAOYSA-N 2 0 293.499 2.574 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903826485 621450664 /nfs/dbraw/zinc/45/06/64/621450664.db2.gz KHPIOKNAGJMJDM-UKRRQHHQSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@]12C[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826936 621450836 /nfs/dbraw/zinc/45/08/36/621450836.db2.gz OGZWBUANKJOPSU-BPKGMFCQSA-N 2 0 260.425 2.520 20 0 CFADRP C[C@@H]1CSCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000903829874 621451449 /nfs/dbraw/zinc/45/14/49/621451449.db2.gz NGFCFAOKZGQTIV-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903832370 621452153 /nfs/dbraw/zinc/45/21/53/621452153.db2.gz QPZLPJKQDYXUDK-AWEZNQCLSA-N 2 0 284.407 2.508 20 0 CFADRP FCCC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH2+]C1CC1 ZINC000903832429 621452283 /nfs/dbraw/zinc/45/22/83/621452283.db2.gz RNGBHGDOOFJBFK-LQDVMPOASA-N 2 0 254.393 2.731 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000903843556 621454521 /nfs/dbraw/zinc/45/45/21/621454521.db2.gz NBVXLAYRPTVMCG-UVBJJODRSA-N 2 0 285.366 2.686 20 0 CFADRP C[N@@H+](Cc1ccc(F)cc1F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878911 621463388 /nfs/dbraw/zinc/46/33/88/621463388.db2.gz NDZJQLDUXMXLDB-PHTAMDTFSA-N 2 0 280.362 2.927 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903898211 621467234 /nfs/dbraw/zinc/46/72/34/621467234.db2.gz MLIQRRDLHNIGTE-ALOPSCKCSA-N 2 0 287.451 2.715 20 0 CFADRP CC(C)c1ncc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000903910765 621471419 /nfs/dbraw/zinc/47/14/19/621471419.db2.gz QFNXQFKDNOLUJF-VHRNVKJDSA-N 2 0 288.439 2.562 20 0 CFADRP Fc1ccc2c(c1F)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903912198 621471777 /nfs/dbraw/zinc/47/17/77/621471777.db2.gz BDRWVGPYIMZERT-QXMXGUDHSA-N 2 0 292.373 2.854 20 0 CFADRP C[NH2+]Cc1cccc(NCc2cccc3c2CC[NH2+]C3)c1 ZINC000903918565 621473081 /nfs/dbraw/zinc/47/30/81/621473081.db2.gz BRJJJEOFAMOFNM-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP Fc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000903923264 621474345 /nfs/dbraw/zinc/47/43/45/621474345.db2.gz PGTVIRUFQPBGKQ-FTNCPSPGSA-N 2 0 266.335 2.585 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000903939236 621474426 /nfs/dbraw/zinc/47/44/26/621474426.db2.gz XIZAAYGNWXEGGV-UHFFFAOYSA-N 2 0 289.192 2.805 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922949 621474522 /nfs/dbraw/zinc/47/45/22/621474522.db2.gz IBFABNUFDHDYCG-FUCXHRTASA-N 2 0 276.399 2.797 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903926339 621474854 /nfs/dbraw/zinc/47/48/54/621474854.db2.gz KXFNRBQNUZNSDK-YHWZYXNKSA-N 2 0 294.826 2.969 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903930031 621475653 /nfs/dbraw/zinc/47/56/53/621475653.db2.gz QMDKVOVHEPYZAG-INIZCTEOSA-N 2 0 270.420 2.954 20 0 CFADRP CC1(C)C[C@]1(NC[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903934090 621477146 /nfs/dbraw/zinc/47/71/46/621477146.db2.gz ZUFJVENZBLEWBU-WFASDCNBSA-N 2 0 268.351 2.884 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903934005 621477447 /nfs/dbraw/zinc/47/74/47/621477447.db2.gz YODKZKBIMOONDK-RGPMPMONSA-N 2 0 299.462 2.728 20 0 CFADRP CCOc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1OCC ZINC000903938803 621478073 /nfs/dbraw/zinc/47/80/73/621478073.db2.gz KTQXLLLHXXCOIR-UHFFFAOYSA-N 2 0 280.412 2.701 20 0 CFADRP C([NH2+]C1([C@H]2CCCCO2)CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903937991 621478094 /nfs/dbraw/zinc/47/80/94/621478094.db2.gz WTHRIVYIQCKQNN-WTXIUTQJSA-N 2 0 278.440 2.598 20 0 CFADRP CC(C)([NH3+])CC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000903938820 621478370 /nfs/dbraw/zinc/47/83/70/621478370.db2.gz LTVVPYJKCXYWJX-ONEGZZNKSA-N 2 0 254.324 2.695 20 0 CFADRP CC1(C)CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903957892 621479042 /nfs/dbraw/zinc/47/90/42/621479042.db2.gz UGQZFTREAXSLNR-NSHDSACASA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957351 621479359 /nfs/dbraw/zinc/47/93/59/621479359.db2.gz PZTXARFXUKPDAV-AAEUAGOBSA-N 2 0 288.407 2.904 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000903946665 621484246 /nfs/dbraw/zinc/48/42/46/621484246.db2.gz ZGUAOZJOEQJHTP-UHFFFAOYSA-N 2 0 269.392 2.938 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903947771 621485289 /nfs/dbraw/zinc/48/52/89/621485289.db2.gz HMKSPGCIUZLFRA-GJZGRUSLSA-N 2 0 298.471 2.532 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000903956746 621491098 /nfs/dbraw/zinc/49/10/98/621491098.db2.gz NXHHPVCJUSTXKK-XQHKEYJVSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000903956407 621491232 /nfs/dbraw/zinc/49/12/32/621491232.db2.gz LBKXZPQNPGIJNJ-AAEUAGOBSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000903975126 621493160 /nfs/dbraw/zinc/49/31/60/621493160.db2.gz XXJUYFUTMNRRIH-DGCLKSJQSA-N 2 0 284.350 2.623 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1CC[NH3+] ZINC000903978103 621494313 /nfs/dbraw/zinc/49/43/13/621494313.db2.gz FNANITVKQNOKQD-UKRRQHHQSA-N 2 0 258.409 2.592 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)CC3 ZINC000903964824 621495660 /nfs/dbraw/zinc/49/56/60/621495660.db2.gz WOPIPOJHTUEZSS-FHSNZYRGSA-N 2 0 283.419 2.531 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000903964691 621495880 /nfs/dbraw/zinc/49/58/80/621495880.db2.gz STQWJDSMXUFHJZ-XLNGHYISSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000903967740 621496323 /nfs/dbraw/zinc/49/63/23/621496323.db2.gz MPKNMVFDDLMNNI-WRWGMCAJSA-N 2 0 264.335 2.553 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967390 621496378 /nfs/dbraw/zinc/49/63/78/621496378.db2.gz ISWQIDXNXKJOEK-IPYPFGDCSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968500 621496823 /nfs/dbraw/zinc/49/68/23/621496823.db2.gz WXVYCASMVAYHLM-IPYPFGDCSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904299253 621567920 /nfs/dbraw/zinc/56/79/20/621567920.db2.gz AFWCFNDUACJQCA-XJKSGUPXSA-N 2 0 274.408 2.571 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC([NH2+]CC2CC2)CC1 ZINC000904301515 621568783 /nfs/dbraw/zinc/56/87/83/621568783.db2.gz MRYCZHGIKYPJMF-HNNXBMFYSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCCCC[C@@H]2c2ccncc2)C1 ZINC000904301451 621569042 /nfs/dbraw/zinc/56/90/42/621569042.db2.gz IJMCYSJHFRBYHS-VNQPRFMTSA-N 2 0 259.397 2.736 20 0 CFADRP COc1ccc(Cl)cc1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305363 621569320 /nfs/dbraw/zinc/56/93/20/621569320.db2.gz LVNUCSGUCKBFLT-GSJFWJNXSA-N 2 0 268.788 2.518 20 0 CFADRP C[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303926 621569571 /nfs/dbraw/zinc/56/95/71/621569571.db2.gz MQXPDIDODFVNJF-AOOOYVTPSA-N 2 0 256.752 2.648 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000904307045 621569597 /nfs/dbraw/zinc/56/95/97/621569597.db2.gz JDTNKZPMFCGRCL-KBPBESRZSA-N 2 0 268.445 2.641 20 0 CFADRP CCc1ccc(C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000904307828 621570478 /nfs/dbraw/zinc/57/04/78/621570478.db2.gz XEPATDPINCVMAC-IYBDPMFKSA-N 2 0 258.409 2.951 20 0 CFADRP C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312580 621570790 /nfs/dbraw/zinc/57/07/90/621570790.db2.gz KIFBVGRVLRYVGB-XBXGTLAGSA-N 2 0 282.815 2.778 20 0 CFADRP CC(C)CCOC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904312487 621570801 /nfs/dbraw/zinc/57/08/01/621570801.db2.gz QZACZEPWPDFNDS-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904317560 621572413 /nfs/dbraw/zinc/57/24/13/621572413.db2.gz HGBQUQYLJPOMJB-WVSHTKLVSA-N 2 0 256.752 2.648 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904320998 621573359 /nfs/dbraw/zinc/57/33/59/621573359.db2.gz SSPGVXFHTXZREP-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000904322721 621574059 /nfs/dbraw/zinc/57/40/59/621574059.db2.gz ILMNXTPLVSYUKQ-LJISPDSOSA-N 2 0 268.445 2.639 20 0 CFADRP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904326018 621576164 /nfs/dbraw/zinc/57/61/64/621576164.db2.gz BWUMRLNZGQNWJH-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326571 621576302 /nfs/dbraw/zinc/57/63/02/621576302.db2.gz MWDSDDSVNRJUCS-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CCC[NH2+]C1 ZINC000904335687 621577657 /nfs/dbraw/zinc/57/76/57/621577657.db2.gz JLDZQTGRSRVDGP-IRXDYDNUSA-N 2 0 274.408 2.919 20 0 CFADRP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341840 621578362 /nfs/dbraw/zinc/57/83/62/621578362.db2.gz XBSUNDNLMJDURJ-UUIJZJDISA-N 2 0 282.815 2.743 20 0 CFADRP Cc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1Br ZINC000904355239 621581645 /nfs/dbraw/zinc/58/16/45/621581645.db2.gz OPNNKEXJLZTJLQ-AAEUAGOBSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@H](Cc1ccccc1Br)[NH2+]C1CC(C[NH3+])C1 ZINC000904359654 621582263 /nfs/dbraw/zinc/58/22/63/621582263.db2.gz RIYKKYLZTIKFJC-XSRFYTQQSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC(C[NH3+])C1 ZINC000904362212 621582748 /nfs/dbraw/zinc/58/27/48/621582748.db2.gz IMUYHXRPBPQPNY-PWQPVHBWSA-N 2 0 286.341 2.963 20 0 CFADRP C[N@H+](CCNC[C@H]([NH3+])CCC(C)(C)C)C1CCCC1 ZINC000904362219 621583163 /nfs/dbraw/zinc/58/31/63/621583163.db2.gz IVPRKQMJBTXJJB-CQSZACIVSA-N 2 0 269.477 2.604 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)n1 ZINC000904369577 621583960 /nfs/dbraw/zinc/58/39/60/621583960.db2.gz YLPPMNHJJBATBA-AWEZNQCLSA-N 2 0 263.429 2.676 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000904371113 621584110 /nfs/dbraw/zinc/58/41/10/621584110.db2.gz JRPCEDIVHAHRBH-PQEBFOHHSA-N 2 0 258.409 2.992 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000904371114 621584152 /nfs/dbraw/zinc/58/41/52/621584152.db2.gz JRPCEDIVHAHRBH-XBVQOTNRSA-N 2 0 258.409 2.992 20 0 CFADRP CCOCc1ccccc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904368210 621584266 /nfs/dbraw/zinc/58/42/66/621584266.db2.gz NVVFDPIXNWGKJB-QGZVFWFLSA-N 2 0 276.424 2.702 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000904363904 621585256 /nfs/dbraw/zinc/58/52/56/621585256.db2.gz PHZSPFVHOZZCDN-JGZJWPJOSA-N 2 0 258.287 2.532 20 0 CFADRP CC(C)C[N@H+](Cc1ccccn1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904389433 621586705 /nfs/dbraw/zinc/58/67/05/621586705.db2.gz XZDSIASSUQWQRQ-KRWDZBQOSA-N 2 0 275.440 2.929 20 0 CFADRP COC(=O)CC[C@H]1CCCN(C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904385559 621588882 /nfs/dbraw/zinc/58/88/82/621588882.db2.gz YYQICRAVRZEZSH-HUUCEWRRSA-N 2 0 298.471 2.805 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904384557 621589113 /nfs/dbraw/zinc/58/91/13/621589113.db2.gz MJABFNLLTLLRGH-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000904386331 621589833 /nfs/dbraw/zinc/58/98/33/621589833.db2.gz WSRCFKJBMHSJAT-NVXWUHKLSA-N 2 0 281.488 2.606 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)oc21 ZINC000904405232 621590190 /nfs/dbraw/zinc/59/01/90/621590190.db2.gz JCAZYIRSBFLQCK-GFCCVEGCSA-N 2 0 274.364 2.612 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405101 621590442 /nfs/dbraw/zinc/59/04/42/621590442.db2.gz CZYYOKQGVYCLRH-NVXWUHKLSA-N 2 0 260.425 2.926 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)s1 ZINC000904405127 621590543 /nfs/dbraw/zinc/59/05/43/621590543.db2.gz FCIGFQWEEIHNCS-GFCCVEGCSA-N 2 0 267.442 2.512 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)s2)CC[C@@H]1C[NH3+] ZINC000904409765 621591391 /nfs/dbraw/zinc/59/13/91/621591391.db2.gz HWMARDDUNOKPRR-VXGBXAGGSA-N 2 0 281.469 2.857 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000904410615 621591928 /nfs/dbraw/zinc/59/19/28/621591928.db2.gz DXFOJKYGEUXFDK-DZGCQCFKSA-N 2 0 262.397 2.502 20 0 CFADRP CCCOc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1OC ZINC000904410952 621591954 /nfs/dbraw/zinc/59/19/54/621591954.db2.gz RWFWKQGEOWPTKR-AWEZNQCLSA-N 2 0 292.423 2.655 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000904411294 621592666 /nfs/dbraw/zinc/59/26/66/621592666.db2.gz UCFQFQJIEQHMOP-LLVKDONJSA-N 2 0 298.814 2.528 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000904412274 621593217 /nfs/dbraw/zinc/59/32/17/621593217.db2.gz RIUFRRQYZWMJQI-NEPJUHHUSA-N 2 0 252.427 2.727 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904412275 621593588 /nfs/dbraw/zinc/59/35/88/621593588.db2.gz RIUFRRQYZWMJQI-NWDGAFQWSA-N 2 0 252.427 2.727 20 0 CFADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1C[NH3+] ZINC000904412881 621594235 /nfs/dbraw/zinc/59/42/35/621594235.db2.gz YKOIVHAQYMLANV-RYUDHWBXSA-N 2 0 290.436 2.555 20 0 CFADRP Cc1csc(C[C@H]2CCN(C[C@@H]([NH3+])CC(C)C)C2)n1 ZINC000904433092 621595243 /nfs/dbraw/zinc/59/52/43/621595243.db2.gz KFRVBMHUAXIKIJ-KGLIPLIRSA-N 2 0 281.469 2.689 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000904443363 621598824 /nfs/dbraw/zinc/59/88/24/621598824.db2.gz HGXAVSLKJXFPOK-BFHYXJOUSA-N 2 0 274.408 2.660 20 0 CFADRP CCn1nc(C)c(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)c1C ZINC000904444089 621598888 /nfs/dbraw/zinc/59/88/88/621598888.db2.gz PFLNZLMDOXIQMT-UHFFFAOYSA-N 2 0 292.471 2.717 20 0 CFADRP C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1cc(Cl)cc2c1OCC2 ZINC000904444795 621599727 /nfs/dbraw/zinc/59/97/27/621599727.db2.gz STSRKLUMXLEISP-TTXORMCVSA-N 2 0 280.799 2.663 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CC[NH2+]1 ZINC000904474303 621601893 /nfs/dbraw/zinc/60/18/93/621601893.db2.gz XSWVWQLRSXUMIL-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000905054222 621686705 /nfs/dbraw/zinc/68/67/05/621686705.db2.gz GLHMLDOEXSYFJM-WMZOPIPTSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000905137382 621708777 /nfs/dbraw/zinc/70/87/77/621708777.db2.gz MMSJZNAOPXBALS-HQSKLWIPSA-N 2 0 288.435 2.633 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000905267399 621730347 /nfs/dbraw/zinc/73/03/47/621730347.db2.gz LFXWJXGLDHKOHN-GOSISDBHSA-N 2 0 290.451 2.884 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000924804236 621805670 /nfs/dbraw/zinc/80/56/70/621805670.db2.gz RXKBAOZLSWHYNG-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000924804234 621805899 /nfs/dbraw/zinc/80/58/99/621805899.db2.gz RXKBAOZLSWHYNG-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000906508696 621995339 /nfs/dbraw/zinc/99/53/39/621995339.db2.gz VFGUHFDQVQECNG-KYZUINATSA-N 2 0 276.714 2.521 20 0 CFADRP COc1ccccc1-c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906518550 621996606 /nfs/dbraw/zinc/99/66/06/621996606.db2.gz ZUJUDFVCCOXUHP-WKILWMFISA-N 2 0 282.387 2.942 20 0 CFADRP CC[NH+]1CCC(NCc2ccc(-c3cnco3)cc2)CC1 ZINC000906527091 621997674 /nfs/dbraw/zinc/99/76/74/621997674.db2.gz YJJOGIWGRQCIKE-UHFFFAOYSA-N 2 0 285.391 2.916 20 0 CFADRP CCCC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000906528257 621998220 /nfs/dbraw/zinc/99/82/20/621998220.db2.gz VQTLOCZGMGGLRJ-KRWDZBQOSA-N 2 0 276.424 2.533 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]2([NH3+])C[C@H]2c2ccccc2)cc1 ZINC000911846868 622563865 /nfs/dbraw/zinc/56/38/65/622563865.db2.gz OMFITMTYGSCJEO-IWEFOYFVSA-N 2 0 295.386 2.530 20 0 CFADRP c1csc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150749349 622736662 /nfs/dbraw/zinc/73/66/62/622736662.db2.gz DMNOBURYDQUOKR-AWEZNQCLSA-N 2 0 264.438 2.708 20 0 CFADRP Cc1ccc(OCCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150755863 622741621 /nfs/dbraw/zinc/74/16/21/622741621.db2.gz ZCCDMCNHLANQBM-KRWDZBQOSA-N 2 0 288.435 2.792 20 0 CFADRP Cc1ccc(OCCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150755844 622742048 /nfs/dbraw/zinc/74/20/48/622742048.db2.gz ZCCDMCNHLANQBM-QGZVFWFLSA-N 2 0 288.435 2.792 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCS1 ZINC000820812445 622763502 /nfs/dbraw/zinc/76/35/02/622763502.db2.gz LGPCLMJBELCVNN-CHEQUFIKSA-N 2 0 266.454 2.629 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820815241 622764169 /nfs/dbraw/zinc/76/41/69/622764169.db2.gz QSBYWKLVAWEYSY-NVXWUHKLSA-N 2 0 282.472 2.780 20 0 CFADRP Oc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000820814338 622764413 /nfs/dbraw/zinc/76/44/13/622764413.db2.gz IUJOKOJKNJPBKX-ZXFUBFMLSA-N 2 0 286.419 2.682 20 0 CFADRP C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(C[NH+](C)C)c1 ZINC000820823774 622766733 /nfs/dbraw/zinc/76/67/33/622766733.db2.gz PACXLGWIYDDIFQ-YRVVQQKDSA-N 2 0 296.480 2.556 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CC[C@H](OC)C2)CC1 ZINC000821362697 622904676 /nfs/dbraw/zinc/90/46/76/622904676.db2.gz OHJUSOXBWSGCCG-IRXDYDNUSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165067510 622979540 /nfs/dbraw/zinc/97/95/40/622979540.db2.gz AFBQENAIWXTTMF-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP C[N@H+](Cc1cncc2ccccc21)C1CCC([NH3+])CC1 ZINC000165081423 622980144 /nfs/dbraw/zinc/98/01/44/622980144.db2.gz XUMFEAABRVOWPV-UHFFFAOYSA-N 2 0 269.392 2.937 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cncc2ccccc21 ZINC000165085405 622980313 /nfs/dbraw/zinc/98/03/13/622980313.db2.gz KGEDSUVJUVBLGV-DOMZBBRYSA-N 2 0 255.365 2.546 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(CC)(CC)SC)CC1 ZINC000224327613 623001598 /nfs/dbraw/zinc/00/15/98/623001598.db2.gz ITORGGLTGSLQTM-UHFFFAOYSA-N 2 0 258.475 2.982 20 0 CFADRP Cc1ccc(-c2cc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000228200537 623135771 /nfs/dbraw/zinc/13/57/71/623135771.db2.gz UWJKJMLLYCQBRM-DZGCQCFKSA-N 2 0 285.391 2.819 20 0 CFADRP C[N@H+](Cc1cc(Cl)cc2c1OCC2)C1CCC([NH3+])CC1 ZINC000228495957 623146741 /nfs/dbraw/zinc/14/67/41/623146741.db2.gz QSBMLZPJSIBEHN-UHFFFAOYSA-N 2 0 294.826 2.977 20 0 CFADRP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CCC([NH3+])CC1 ZINC000229248458 623193638 /nfs/dbraw/zinc/19/36/38/623193638.db2.gz PYHIQOFCROKDNL-YMAMQOFZSA-N 2 0 266.429 2.680 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCSC1 ZINC000061571073 623220747 /nfs/dbraw/zinc/22/07/47/623220747.db2.gz PZPUSAPPDXYPLQ-ZIAGYGMSSA-N 2 0 256.459 2.736 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000061588043 623223123 /nfs/dbraw/zinc/22/31/23/623223123.db2.gz TYFIABPQQCOEDK-CQSZACIVSA-N 2 0 256.459 2.736 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]21 ZINC000230046417 623242127 /nfs/dbraw/zinc/24/21/27/623242127.db2.gz CJMQCIAYWLAPNI-VBNZEHGJSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@@H]21 ZINC000230046025 623242347 /nfs/dbraw/zinc/24/23/47/623242347.db2.gz BUDLOGJXGFOVQD-FPMFFAJLSA-N 2 0 296.361 2.847 20 0 CFADRP CC(C)(C)C(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062035255 623246190 /nfs/dbraw/zinc/24/61/90/623246190.db2.gz LMJUPHBFARJJGC-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@]1(C[N@@H+]2CCSC(C)(C)CC2)CCC[NH2+]C1 ZINC000231052605 623320411 /nfs/dbraw/zinc/32/04/11/623320411.db2.gz LXPKPFBIIRYJNP-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063200038 623332955 /nfs/dbraw/zinc/33/29/55/623332955.db2.gz KMUJGCZKGGTULD-SFHVURJKSA-N 2 0 288.435 2.838 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000231979202 623378753 /nfs/dbraw/zinc/37/87/53/623378753.db2.gz JMZRJMNUSBPJSL-QKPAOTATSA-N 2 0 294.464 2.682 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC(C)(C)C1 ZINC000075771736 623520103 /nfs/dbraw/zinc/52/01/03/623520103.db2.gz UFBZTHHRKBVILC-DOTOQJQBSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000824988462 623601186 /nfs/dbraw/zinc/60/11/86/623601186.db2.gz LPNVFECBKMYWMO-ZCRFILTFSA-N 2 0 280.456 2.652 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccnc(Cl)c1 ZINC000152444781 623708572 /nfs/dbraw/zinc/70/85/72/623708572.db2.gz UXXMPTJVZORKAZ-NWDGAFQWSA-N 2 0 279.815 2.870 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCC4(CCC4)O3)CC[C@@H]21 ZINC000929847196 623936056 /nfs/dbraw/zinc/93/60/56/623936056.db2.gz LVBWJLLKNFSHMW-ZACQAIPSSA-N 2 0 292.467 2.894 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000918026495 624409428 /nfs/dbraw/zinc/40/94/28/624409428.db2.gz JYJAXTBZLAFYBX-LBPRGKRZSA-N 2 0 279.255 2.844 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)CC1CC[NH+](C)CC1 ZINC000154828447 624500812 /nfs/dbraw/zinc/50/08/12/624500812.db2.gz WBVNYQDXQVBQMM-UHFFFAOYSA-N 2 0 296.842 2.992 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000832222400 625246559 /nfs/dbraw/zinc/24/65/59/625246559.db2.gz DDLAVBRMPCGPMW-UHFFFAOYSA-N 2 0 277.412 2.596 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1F ZINC000070171503 625278732 /nfs/dbraw/zinc/27/87/32/625278732.db2.gz DRQBFPHPJYDXRD-OCCSQVGLSA-N 2 0 250.361 2.693 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921504406 625786684 /nfs/dbraw/zinc/78/66/84/625786684.db2.gz YOLABNMQZHDDPG-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921532492 625979501 /nfs/dbraw/zinc/97/95/01/625979501.db2.gz GTPPFRHPLFNLHF-CQSZACIVSA-N 2 0 277.412 2.531 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000921617294 625994054 /nfs/dbraw/zinc/99/40/54/625994054.db2.gz CMPYLGLVZJWFOP-HOCLYGCPSA-N 2 0 288.435 2.830 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000921687091 626081245 /nfs/dbraw/zinc/08/12/45/626081245.db2.gz WVFIJHNOGVJLRG-UHFFFAOYSA-N 2 0 296.846 2.762 20 0 CFADRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(C2CCCC2)n1 ZINC000921690115 626088393 /nfs/dbraw/zinc/08/83/93/626088393.db2.gz ZHVVJXZJNWQXAY-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP O=c1cc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)cc[nH]1 ZINC000921744722 626104052 /nfs/dbraw/zinc/10/40/52/626104052.db2.gz XODSLSHBSCBLLQ-KRWDZBQOSA-N 2 0 297.402 2.541 20 0 CFADRP c1cc2c(c(C[NH2+]CC3CC[NH+](C4CC4)CC3)n1)CCCC2 ZINC000922066999 626203520 /nfs/dbraw/zinc/20/35/20/626203520.db2.gz AENARBAHAZZFMZ-UHFFFAOYSA-N 2 0 299.462 2.924 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000922140047 626216356 /nfs/dbraw/zinc/21/63/56/626216356.db2.gz GURGZDMYANVOFW-QBPKDAKJSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cnc(Cl)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000922181489 626232832 /nfs/dbraw/zinc/23/28/32/626232832.db2.gz SCBDRPPLCUBPKA-CYBMUJFWSA-N 2 0 281.831 2.865 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCS1)C1CC[NH+](C)CC1 ZINC000158020419 626257191 /nfs/dbraw/zinc/25/71/91/626257191.db2.gz IZCONSSGEYGHDC-JSGCOSHPSA-N 2 0 256.459 2.592 20 0 CFADRP c1cc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000922426206 626288391 /nfs/dbraw/zinc/28/83/91/626288391.db2.gz JCOMGFMKXWHEJT-PBHICJAKSA-N 2 0 282.391 2.793 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000922503950 626299430 /nfs/dbraw/zinc/29/94/30/626299430.db2.gz MEVLJHRZZKDKJY-UHFFFAOYSA-N 2 0 289.423 2.674 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851727976 634492680 /nfs/dbraw/zinc/49/26/80/634492680.db2.gz CKXSYFBVJBSKCM-UHFFFAOYSA-N 2 0 251.201 2.579 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCCCCCC1 ZINC000186578506 626363864 /nfs/dbraw/zinc/36/38/64/626363864.db2.gz AZGBKKKMNZIFJY-MRXNPFEDSA-N 2 0 281.488 2.715 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccnc2)CC1 ZINC000922848798 626380445 /nfs/dbraw/zinc/38/04/45/626380445.db2.gz XWHUFISNWGMCJF-UHFFFAOYSA-N 2 0 259.397 2.578 20 0 CFADRP Fc1cccc(CC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923280196 626462613 /nfs/dbraw/zinc/46/26/13/626462613.db2.gz FDJZTFVKXGDWPK-UHFFFAOYSA-N 2 0 262.372 2.585 20 0 CFADRP C[N@H+](CCOc1ccccc1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923298912 626464116 /nfs/dbraw/zinc/46/41/16/626464116.db2.gz NDZMHEDVBBVDCN-ALOPSCKCSA-N 2 0 288.435 2.918 20 0 CFADRP COCC[N@H+](CCC[NH2+]C1CC1)[C@@H](C)c1ccccc1 ZINC000923306108 626464729 /nfs/dbraw/zinc/46/47/29/626464729.db2.gz QKWLFWYZIIPTGI-HNNXBMFYSA-N 2 0 276.424 2.838 20 0 CFADRP CC(C)C[C@@H]1COCC[N@@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923312947 626464769 /nfs/dbraw/zinc/46/47/69/626464769.db2.gz NMRBIKPLQBOECX-NPYXIHBLSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923304219 626464874 /nfs/dbraw/zinc/46/48/74/626464874.db2.gz PJDSKNMDGGCLEK-DLBZAZTESA-N 2 0 286.419 2.510 20 0 CFADRP CC(C)(C)[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923316373 626465121 /nfs/dbraw/zinc/46/51/21/626465121.db2.gz UCYBLBYXSFAPSO-LSDHHAIUSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[N@H+](CCC[NH2+]C1CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000923313652 626465276 /nfs/dbraw/zinc/46/52/76/626465276.db2.gz IWRODRCTODDYPH-BZUAXINKSA-N 2 0 280.456 2.654 20 0 CFADRP O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1)c1ccccc1 ZINC000923315751 626465301 /nfs/dbraw/zinc/46/53/01/626465301.db2.gz ZOYXEQJQYONMOE-ROUUACIJSA-N 2 0 288.435 2.717 20 0 CFADRP OCC[N@H+](CCC[NH2+]C1CC1)[C@@H]1CCCc2ccccc21 ZINC000923317271 626465417 /nfs/dbraw/zinc/46/54/17/626465417.db2.gz ZATIPMPMALJZMK-GOSISDBHSA-N 2 0 288.435 2.500 20 0 CFADRP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923319032 626465643 /nfs/dbraw/zinc/46/56/43/626465643.db2.gz SNIFFILABJMMAX-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP c1[nH]c2ncccc2c1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923321605 626466490 /nfs/dbraw/zinc/46/64/90/626466490.db2.gz FSOMISMUBMOUHS-UHFFFAOYSA-N 2 0 298.434 2.884 20 0 CFADRP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)co1 ZINC000923362181 626469216 /nfs/dbraw/zinc/46/92/16/626469216.db2.gz KZEBENYYAXUQSU-KGLIPLIRSA-N 2 0 291.439 2.794 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379255 626469484 /nfs/dbraw/zinc/46/94/84/626469484.db2.gz NZNQWVTZSWYOJW-ARFHVFGLSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(F)cc1Cl ZINC000923380016 626469501 /nfs/dbraw/zinc/46/95/01/626469501.db2.gz UPHUFWWUMOLKHD-ZYHUDNBSSA-N 2 0 298.789 2.508 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384988 626469959 /nfs/dbraw/zinc/46/99/59/626469959.db2.gz RPZDAMAWGXEYJV-ARFHVFGLSA-N 2 0 292.467 2.513 20 0 CFADRP C[C@]1(c2cccc(F)c2)CCN(CCC[NH2+]C2CC2)C1 ZINC000923390332 626470032 /nfs/dbraw/zinc/47/00/32/626470032.db2.gz XMDJAIJKANKPNS-KRWDZBQOSA-N 2 0 276.399 2.931 20 0 CFADRP C(C[NH2+]C1CC1)C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000923427322 626472136 /nfs/dbraw/zinc/47/21/36/626472136.db2.gz RAWBPFPUTQRVIS-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452913 626474122 /nfs/dbraw/zinc/47/41/22/626474122.db2.gz UAIMVABZMGTGSI-CQSZACIVSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC000923487676 626475929 /nfs/dbraw/zinc/47/59/29/626475929.db2.gz BEUAZJYBFHLRIF-PWSUYJOCSA-N 2 0 270.779 2.896 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000923479637 626476022 /nfs/dbraw/zinc/47/60/22/626476022.db2.gz RAQWCKHSHYDLSB-CYBMUJFWSA-N 2 0 287.432 2.981 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000923480137 626476035 /nfs/dbraw/zinc/47/60/35/626476035.db2.gz FTUYJVAIHLGCMA-ABAIWWIYSA-N 2 0 264.800 2.998 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@H]1C[NH3+] ZINC000923487669 626476039 /nfs/dbraw/zinc/47/60/39/626476039.db2.gz BEUAZJYBFHLRIF-JQWIXIFHSA-N 2 0 270.779 2.896 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000923484113 626476206 /nfs/dbraw/zinc/47/62/06/626476206.db2.gz VSXGKPPYJDWRAR-LBPRGKRZSA-N 2 0 289.354 2.651 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495642 626476376 /nfs/dbraw/zinc/47/63/76/626476376.db2.gz DMKHGHQDBOUASC-CVEARBPZSA-N 2 0 276.424 2.681 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1C[NH3+] ZINC000923496070 626476403 /nfs/dbraw/zinc/47/64/03/626476403.db2.gz ZLYKZFCXSLRCPA-XJKSGUPXSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC[C@@H]1C[NH3+] ZINC000923491516 626476663 /nfs/dbraw/zinc/47/66/63/626476663.db2.gz IGOILWUJSGBYSS-DTZQCDIJSA-N 2 0 294.389 2.952 20 0 CFADRP C[C@@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)CC[C@H]1C[NH3+] ZINC000923491099 626476684 /nfs/dbraw/zinc/47/66/84/626476684.db2.gz QUHMUHVRWZHCBQ-OLZOCXBDSA-N 2 0 291.439 2.606 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccsc2Cl)CC[C@@H]1C[NH3+] ZINC000923492671 626476704 /nfs/dbraw/zinc/47/67/04/626476704.db2.gz YOHSCNKWSVKXSA-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492315 626476750 /nfs/dbraw/zinc/47/67/50/626476750.db2.gz BQIAAFJUKSWXRA-ZBFHGGJFSA-N 2 0 276.424 2.545 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000923490719 626476816 /nfs/dbraw/zinc/47/68/16/626476816.db2.gz OTRHDLIZQWEDSB-OCCSQVGLSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1C[NH3+] ZINC000923502941 626476958 /nfs/dbraw/zinc/47/69/58/626476958.db2.gz FGAOITXENJZWHK-AAEUAGOBSA-N 2 0 252.789 2.757 20 0 CFADRP CC(C)OCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503321 626477035 /nfs/dbraw/zinc/47/70/35/626477035.db2.gz JDIZTOFBIBNSBN-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC000923499319 626477439 /nfs/dbraw/zinc/47/74/39/626477439.db2.gz MSMGSSUHPKAPDK-VXGBXAGGSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923500954 626477626 /nfs/dbraw/zinc/47/76/26/626477626.db2.gz SLNZNLOGYFRGOV-ZIAGYGMSSA-N 2 0 264.438 2.695 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923501372 626477633 /nfs/dbraw/zinc/47/76/33/626477633.db2.gz RIISQPZMEHGTOZ-MNOVXSKESA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923505563 626477746 /nfs/dbraw/zinc/47/77/46/626477746.db2.gz BLELNQOACQQJID-MNOVXSKESA-N 2 0 270.779 2.896 20 0 CFADRP Cc1nocc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507800 626477817 /nfs/dbraw/zinc/47/78/17/626477817.db2.gz RHABZKLAGDYZRR-CQSZACIVSA-N 2 0 277.412 2.585 20 0 CFADRP c1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923508961 626478021 /nfs/dbraw/zinc/47/80/21/626478021.db2.gz XXCQYBRNAJOQRC-MRXNPFEDSA-N 2 0 273.424 2.683 20 0 CFADRP COc1ccccc1CCCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533001 626478992 /nfs/dbraw/zinc/47/89/92/626478992.db2.gz IHSFWHRGSPRODE-SFHVURJKSA-N 2 0 288.435 2.846 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC(C)(C)CC(=O)OCC)CC1 ZINC000838937336 626516715 /nfs/dbraw/zinc/51/67/15/626516715.db2.gz REGUMHJGHAXFOO-UHFFFAOYSA-N 2 0 298.471 2.677 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000838965193 626517193 /nfs/dbraw/zinc/51/71/93/626517193.db2.gz RCVHVHHKKHGEGL-UHFFFAOYSA-N 2 0 298.471 2.677 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851750309 634511083 /nfs/dbraw/zinc/51/10/83/634511083.db2.gz CZHZLEVIWNIZJV-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP CC1(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)OCCO1 ZINC000760892032 626782354 /nfs/dbraw/zinc/78/23/54/626782354.db2.gz QZDNEVJXXDIYIZ-UHFFFAOYSA-N 2 0 296.455 2.526 20 0 CFADRP c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000760955612 626787977 /nfs/dbraw/zinc/78/79/77/626787977.db2.gz UBAXIMWAXWHLFR-ZBFHGGJFSA-N 2 0 270.420 2.790 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000764838290 627100181 /nfs/dbraw/zinc/10/01/81/627100181.db2.gz CNGREPNFYGRIMO-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)C1CCOCC1 ZINC000765253612 627126242 /nfs/dbraw/zinc/12/62/42/627126242.db2.gz HBJOQWPCRPJRCQ-HIFRSBDPSA-N 2 0 279.428 2.703 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766512398 627206563 /nfs/dbraw/zinc/20/65/63/627206563.db2.gz KITXZEULUWNHAK-FXQLRMTLSA-N 2 0 268.445 2.797 20 0 CFADRP COCC[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766511982 627206686 /nfs/dbraw/zinc/20/66/86/627206686.db2.gz HINZNELRAARJAD-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP COCC[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766511979 627206830 /nfs/dbraw/zinc/20/68/30/627206830.db2.gz HINZNELRAARJAD-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000767349650 627244195 /nfs/dbraw/zinc/24/41/95/627244195.db2.gz USOBWOFNLLANFA-HUUCEWRRSA-N 2 0 294.439 2.875 20 0 CFADRP CC[C@@H]1CCCCN1CC[NH2+]C1CC(C(F)F)C1 ZINC000769514887 627449926 /nfs/dbraw/zinc/44/99/26/627449926.db2.gz BYJABGBQANUOSY-WXRRBKDZSA-N 2 0 260.372 2.884 20 0 CFADRP CCc1noc(C)c1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000769870180 627482419 /nfs/dbraw/zinc/48/24/19/627482419.db2.gz DVNKABCDWVYQSS-NSHDSACASA-N 2 0 265.401 2.538 20 0 CFADRP C[N@H+](CCF)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771452771 627605808 /nfs/dbraw/zinc/60/58/08/627605808.db2.gz QNHNJWNFWJEQMP-UHFFFAOYSA-N 2 0 265.376 2.589 20 0 CFADRP CCCC[N@@H+]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000774167724 627897687 /nfs/dbraw/zinc/89/76/87/627897687.db2.gz XEJFLLJPMVKFAN-FBVQUNGASA-N 2 0 293.499 2.856 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000774167725 627898186 /nfs/dbraw/zinc/89/81/86/627898186.db2.gz XEJFLLJPMVKFAN-HQSKLWIPSA-N 2 0 293.499 2.856 20 0 CFADRP Cc1ccsc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774271444 627911342 /nfs/dbraw/zinc/91/13/42/627911342.db2.gz JMKGNDMSLVSROL-AGUYFDCRSA-N 2 0 264.438 2.814 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000774488999 627932300 /nfs/dbraw/zinc/93/23/00/627932300.db2.gz SOBUVVLMQGNKLM-KRWDZBQOSA-N 2 0 290.451 2.881 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780286414 628451264 /nfs/dbraw/zinc/45/12/64/628451264.db2.gz NKEDCZJTNKGKGD-HNNXBMFYSA-N 2 0 258.409 2.742 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCc3ccccc32)C1 ZINC000780294044 628451802 /nfs/dbraw/zinc/45/18/02/628451802.db2.gz MHHIXXGKXHNNMQ-NVXWUHKLSA-N 2 0 272.436 2.990 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC[C@H](O)c1ccccc1)C2 ZINC000852106123 634660497 /nfs/dbraw/zinc/66/04/97/634660497.db2.gz UXWZLTSNIVLGLS-ROUUACIJSA-N 2 0 288.435 2.528 20 0 CFADRP CCCCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852122481 634663511 /nfs/dbraw/zinc/66/35/11/634663511.db2.gz NQULYTZEWNDRJJ-UHFFFAOYSA-N 2 0 270.461 2.639 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C2CC2)CC1 ZINC000782188845 628612491 /nfs/dbraw/zinc/61/24/91/628612491.db2.gz QNCXZNIRRUZXLH-OAHLLOKOSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000783232087 628689827 /nfs/dbraw/zinc/68/98/27/628689827.db2.gz FCBNDEIFNDIPRZ-BPQIPLTHSA-N 2 0 272.436 2.939 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000783518286 628715964 /nfs/dbraw/zinc/71/59/64/628715964.db2.gz KMAMGEAWOGRDDA-JXQTWKCFSA-N 2 0 256.459 2.592 20 0 CFADRP COC[C@H](C)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000783637579 628729322 /nfs/dbraw/zinc/72/93/22/628729322.db2.gz HIECCDDZKFUTFQ-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C12CCC2 ZINC000783652293 628730823 /nfs/dbraw/zinc/73/08/23/628730823.db2.gz RRRZPGYXUSANTO-HZPDHXFCSA-N 2 0 280.456 2.608 20 0 CFADRP C(C[NH+]1CCCC1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000805792979 628927350 /nfs/dbraw/zinc/92/73/50/628927350.db2.gz VVAMEWZUNZLIKP-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)CC1CC[NH+](C)CC1 ZINC000788475713 629072995 /nfs/dbraw/zinc/07/29/95/629072995.db2.gz SZECEOYHROOLQB-UHFFFAOYSA-N 2 0 290.407 2.579 20 0 CFADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788476740 629073479 /nfs/dbraw/zinc/07/34/79/629073479.db2.gz SMEBGURQXJTTOK-QAPCUYQASA-N 2 0 288.435 2.790 20 0 CFADRP CS[C@@H]1CCCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000788486667 629074179 /nfs/dbraw/zinc/07/41/79/629074179.db2.gz YQMJFDQDBICQGD-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788489378 629074568 /nfs/dbraw/zinc/07/45/68/629074568.db2.gz OVYRIHDNSDXBQI-HNNXBMFYSA-N 2 0 276.428 2.505 20 0 CFADRP CCC(=O)CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000789352601 629149758 /nfs/dbraw/zinc/14/97/58/629149758.db2.gz JVEJISSOIQXCFE-UHFFFAOYSA-N 2 0 289.423 2.768 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(F)(F)CC2)cc1 ZINC000793358160 629530064 /nfs/dbraw/zinc/53/00/64/629530064.db2.gz BLRQOAFBBVIOJP-UHFFFAOYSA-N 2 0 298.377 2.858 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797014356 630004117 /nfs/dbraw/zinc/00/41/17/630004117.db2.gz BWMAQTMOEQBRFV-RDTXWAMCSA-N 2 0 290.451 2.602 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956937 630263776 /nfs/dbraw/zinc/26/37/76/630263776.db2.gz QSZHALXRNVKHKG-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956998 630263955 /nfs/dbraw/zinc/26/39/55/630263955.db2.gz HHLLWGBXOSXKNO-HZPDHXFCSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956997 630264135 /nfs/dbraw/zinc/26/41/35/630264135.db2.gz HHLLWGBXOSXKNO-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957289 630264161 /nfs/dbraw/zinc/26/41/61/630264161.db2.gz QYUZWAFCOJNLAD-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CCC[C@H](C(=O)OCC)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178001 630284132 /nfs/dbraw/zinc/28/41/32/630284132.db2.gz IMSWNIBHFYESGQ-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP CCCCOCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178359 630284170 /nfs/dbraw/zinc/28/41/70/630284170.db2.gz NHRXNJHCANRQSO-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[C@@H](CCO)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000800988916 630420474 /nfs/dbraw/zinc/42/04/74/630420474.db2.gz RAHCILJODKGHDX-DOTOQJQBSA-N 2 0 290.451 2.648 20 0 CFADRP ClC(Cl)=CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852749338 634822931 /nfs/dbraw/zinc/82/29/31/634822931.db2.gz KVEXQPFVZIGFNV-MNOVXSKESA-N 2 0 263.212 2.627 20 0 CFADRP Cc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC000841006897 631302513 /nfs/dbraw/zinc/30/25/13/631302513.db2.gz OZGJRANWDPMPOQ-HUUCEWRRSA-N 2 0 258.409 2.741 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000841004651 631302930 /nfs/dbraw/zinc/30/29/30/631302930.db2.gz WETDXJUHPAWGHH-JSGCOSHPSA-N 2 0 280.387 2.654 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2O1 ZINC000841030585 631309953 /nfs/dbraw/zinc/30/99/53/631309953.db2.gz OFKUXMUIFHLXOP-XYPWUTKMSA-N 2 0 286.419 2.773 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031893 631312560 /nfs/dbraw/zinc/31/25/60/631312560.db2.gz ANFMOVXXJVSVOO-CYBMUJFWSA-N 2 0 274.433 2.970 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CCCCC1 ZINC000841040433 631317396 /nfs/dbraw/zinc/31/73/96/631317396.db2.gz QQAXAQLLGNCGMF-UPJWGTAASA-N 2 0 286.510 2.617 20 0 CFADRP Cc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cnc1Cl ZINC000841072380 631331028 /nfs/dbraw/zinc/33/10/28/631331028.db2.gz JDGSPYMDNZYMMA-CYBMUJFWSA-N 2 0 267.804 2.665 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cncc2ccccc21 ZINC000841079417 631333149 /nfs/dbraw/zinc/33/31/49/631333149.db2.gz MLBMTHSREGANPQ-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)oc21 ZINC000841101629 631339365 /nfs/dbraw/zinc/33/93/65/631339365.db2.gz XBXSBSDFCGEBSG-GXTWGEPZSA-N 2 0 288.391 2.858 20 0 CFADRP CO[C@@H](CC(C)C)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000842156962 631555996 /nfs/dbraw/zinc/55/59/96/631555996.db2.gz BIBOLNUKDYBFGH-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+]CCCCCCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000842472551 631639379 /nfs/dbraw/zinc/63/93/79/631639379.db2.gz HDKOEOWQOFXTQE-JKSUJKDBSA-N 2 0 267.461 2.502 20 0 CFADRP CC[C@H]1C[N@H+](CCCCCCC[NH3+])CCN1CC(F)F ZINC000842476237 631640231 /nfs/dbraw/zinc/64/02/31/631640231.db2.gz JXJMBFWFVYQKAT-AWEZNQCLSA-N 2 0 291.430 2.557 20 0 CFADRP CCCCCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000842477960 631641605 /nfs/dbraw/zinc/64/16/05/631641605.db2.gz CRHGJQJRJQHKEY-HZPDHXFCSA-N 2 0 268.445 2.785 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000843044369 631811934 /nfs/dbraw/zinc/81/19/34/631811934.db2.gz GZZQTJQANFHMBC-YYIAUSFCSA-N 2 0 280.456 2.656 20 0 CFADRP CCCCn1nc(C)c(C[NH+]2CCC(C[NH3+])CC2)c1Cl ZINC000843047406 631813122 /nfs/dbraw/zinc/81/31/22/631813122.db2.gz NUTVHXAMWJNYRI-UHFFFAOYSA-N 2 0 298.862 2.816 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000843056404 631820180 /nfs/dbraw/zinc/82/01/80/631820180.db2.gz IZSNHFTWYLTXHH-MRXNPFEDSA-N 2 0 262.397 2.522 20 0 CFADRP Cc1ccc(N2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000843059253 631821462 /nfs/dbraw/zinc/82/14/62/631821462.db2.gz IDVBHBWDZAOCPU-QGZVFWFLSA-N 2 0 287.451 2.507 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000843125743 631845216 /nfs/dbraw/zinc/84/52/16/631845216.db2.gz HBUVWOKWOBAIEZ-RBSFLKMASA-N 2 0 262.372 2.612 20 0 CFADRP [NH3+]CCCCCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000843127145 631847044 /nfs/dbraw/zinc/84/70/44/631847044.db2.gz CYEODFURNPWISN-UHFFFAOYSA-N 2 0 276.424 2.663 20 0 CFADRP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843340388 631931150 /nfs/dbraw/zinc/93/11/50/631931150.db2.gz LQHMQSKDEQZNGM-ZTJBWQLXSA-N 2 0 256.393 2.678 20 0 CFADRP CC[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(F)cn1 ZINC000843341360 631931385 /nfs/dbraw/zinc/93/13/85/631931385.db2.gz IQLKJTABHREDKD-CYBMUJFWSA-N 2 0 253.365 2.781 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCCCC[NH3+])cc1 ZINC000843342258 631932339 /nfs/dbraw/zinc/93/23/39/631932339.db2.gz PASUYOVQOBTXBI-ZDUSSCGKSA-N 2 0 277.412 2.815 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843342333 631932567 /nfs/dbraw/zinc/93/25/67/631932567.db2.gz KLDRHAKPZZKJFR-ZDUSSCGKSA-N 2 0 277.412 2.815 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000843342455 631932691 /nfs/dbraw/zinc/93/26/91/631932691.db2.gz LWQYGNSVMYKWNN-IXDOHACOSA-N 2 0 288.435 2.952 20 0 CFADRP Cc1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000843345349 631932980 /nfs/dbraw/zinc/93/29/80/631932980.db2.gz BQAZKWYYGSWZGT-UHFFFAOYSA-N 2 0 274.408 2.590 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCCCCC[NH3+])cnn1C(C)C ZINC000843343332 631933766 /nfs/dbraw/zinc/93/37/66/631933766.db2.gz ZJMZEVSZFFHPNV-ZDUSSCGKSA-N 2 0 266.433 2.942 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843343819 631933938 /nfs/dbraw/zinc/93/39/38/631933938.db2.gz ZSBSVXOEJDMIAY-ZDUSSCGKSA-N 2 0 250.386 2.865 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000843386815 631942769 /nfs/dbraw/zinc/94/27/69/631942769.db2.gz MXEHTOWPJBXCKN-HUUCEWRRSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843391978 631943362 /nfs/dbraw/zinc/94/33/62/631943362.db2.gz DYZDPBJGKTUMEF-MRXNPFEDSA-N 2 0 261.413 2.780 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843388358 631943438 /nfs/dbraw/zinc/94/34/38/631943438.db2.gz MSJXUGKVFMLHHZ-UONOGXRCSA-N 2 0 264.438 2.612 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccn1 ZINC000843388462 631943645 /nfs/dbraw/zinc/94/36/45/631943645.db2.gz OHAANMHNRDRDMF-UONOGXRCSA-N 2 0 279.815 2.557 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000813876967 631971159 /nfs/dbraw/zinc/97/11/59/631971159.db2.gz FVQOMIRHAHYKJH-KBPBESRZSA-N 2 0 264.413 2.934 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)Nc1ccccc1C[NH2+]C ZINC000844163129 632130520 /nfs/dbraw/zinc/13/05/20/632130520.db2.gz TUSJVTZIHMMWCX-UHFFFAOYSA-N 2 0 291.439 2.857 20 0 CFADRP CC[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000844170036 632131551 /nfs/dbraw/zinc/13/15/51/632131551.db2.gz FSFNAYDAQSMOGU-CQSZACIVSA-N 2 0 289.423 2.609 20 0 CFADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCCCCC[NH3+] ZINC000844220787 632136079 /nfs/dbraw/zinc/13/60/79/632136079.db2.gz BINYGIBSPYKFDN-INIZCTEOSA-N 2 0 278.444 2.775 20 0 CFADRP OC1CC[NH+](Cc2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000105495638 632168964 /nfs/dbraw/zinc/16/89/64/632168964.db2.gz KILOEUGPOGUSDM-UHFFFAOYSA-N 2 0 288.435 2.676 20 0 CFADRP COC1(CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCC1 ZINC000815107272 632203193 /nfs/dbraw/zinc/20/31/93/632203193.db2.gz NGASXNPJQQTDKX-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCc3cccs3)C2)C1 ZINC000815145340 632216297 /nfs/dbraw/zinc/21/62/97/632216297.db2.gz RUMFVRVAXIFMEP-OAHLLOKOSA-N 2 0 264.438 2.708 20 0 CFADRP Cc1nn(C)c(Cl)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815151134 632218667 /nfs/dbraw/zinc/21/86/67/632218667.db2.gz KNMPXFYKHGRXLF-UHFFFAOYSA-N 2 0 298.862 2.738 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000815627960 632300595 /nfs/dbraw/zinc/30/05/95/632300595.db2.gz OKJDJWPZVDLXPA-WCQYABFASA-N 2 0 252.377 2.982 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000815627961 632300947 /nfs/dbraw/zinc/30/09/47/632300947.db2.gz OKJDJWPZVDLXPA-YPMHNXCESA-N 2 0 252.377 2.982 20 0 CFADRP c1[nH+]cn2ccc(-c3noc([C@@H]4CC[C@@H](C5CC5)[NH2+]4)n3)cc12 ZINC000844915791 632334533 /nfs/dbraw/zinc/33/45/33/632334533.db2.gz AHQLLSDHGRMDQE-KBPBESRZSA-N 2 0 295.346 2.587 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@]1(F)Cl ZINC000844922184 632337224 /nfs/dbraw/zinc/33/72/24/632337224.db2.gz BNRKEMOJNVGRNL-BJJPWKGXSA-N 2 0 274.811 2.669 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccnc1Cl ZINC000844923061 632338113 /nfs/dbraw/zinc/33/81/13/632338113.db2.gz PTLXJFJPBZHENN-JTQLQIEISA-N 2 0 253.777 2.515 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844924497 632338616 /nfs/dbraw/zinc/33/86/16/632338616.db2.gz LVSPWRNOIAHGCA-AEJSXWLSSA-N 2 0 253.217 2.676 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000844926433 632339402 /nfs/dbraw/zinc/33/94/02/632339402.db2.gz UITVWCPJBIJLMG-WSMDXJOWSA-N 2 0 277.239 2.833 20 0 CFADRP CC[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)[C@@H]1CCC[NH2+]1 ZINC000844926639 632339575 /nfs/dbraw/zinc/33/95/75/632339575.db2.gz ZYGPMADTNWDNQL-CYDGBPFRSA-N 2 0 262.800 2.811 20 0 CFADRP C1=CO[C@H](C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000816644599 632500821 /nfs/dbraw/zinc/50/08/21/632500821.db2.gz QYVMWRKTQULHEN-HNNXBMFYSA-N 2 0 252.402 2.535 20 0 CFADRP C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCCCCC[NH3+] ZINC000846218842 632663856 /nfs/dbraw/zinc/66/38/56/632663856.db2.gz YNDZHAFSNLSZJT-RDJZCZTQSA-N 2 0 276.424 2.968 20 0 CFADRP CO[C@]1(C)C[C@H]([N@H+](C)CCCCCC[NH3+])C1(C)C ZINC000846219553 632666242 /nfs/dbraw/zinc/66/62/42/632666242.db2.gz SKIGEDGYQAPKRN-DZGCQCFKSA-N 2 0 256.434 2.641 20 0 CFADRP CCc1ncc(C[N@H+](C)CCCCCC[NH3+])s1 ZINC000846219909 632666263 /nfs/dbraw/zinc/66/62/63/632666263.db2.gz BSHHIZADPXZQJF-UHFFFAOYSA-N 2 0 255.431 2.656 20 0 CFADRP CN(CC[N@H+](C)CCCCCC[NH3+])c1ccccc1 ZINC000846222687 632667446 /nfs/dbraw/zinc/66/74/46/632667446.db2.gz XOXXIQHQFOVNGH-UHFFFAOYSA-N 2 0 263.429 2.574 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000817889140 632717492 /nfs/dbraw/zinc/71/74/92/632717492.db2.gz MRXDEPBQBQYLBL-COXVUDFISA-N 2 0 294.414 2.760 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000817889392 632718205 /nfs/dbraw/zinc/71/82/05/632718205.db2.gz UGDKKAUFDDIKDO-RHSMWYFYSA-N 2 0 276.424 2.952 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc3C2)c2ccccc21 ZINC000817891228 632718335 /nfs/dbraw/zinc/71/83/35/632718335.db2.gz IMYFMFHCQVKDBC-MORSLUCNSA-N 2 0 294.398 2.972 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817898812 632723395 /nfs/dbraw/zinc/72/33/95/632723395.db2.gz BGOJFPIJFADNLR-AQEOSJORSA-N 3 0 293.499 2.761 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817900423 632723787 /nfs/dbraw/zinc/72/37/87/632723787.db2.gz SKPOJMPFBKFDGQ-GVDBMIGSSA-N 2 0 291.439 2.734 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900248 632724042 /nfs/dbraw/zinc/72/40/42/632724042.db2.gz LQQORKIYFXFJBS-OTBWCIGPSA-N 3 0 279.472 2.501 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000817905776 632727664 /nfs/dbraw/zinc/72/76/64/632727664.db2.gz NUQLYBQSWNBERN-AUTRQRHGSA-N 2 0 291.222 2.742 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000817906252 632727811 /nfs/dbraw/zinc/72/78/11/632727811.db2.gz ZCCNRVYGQJLHJR-YYQUZTFQSA-N 2 0 294.414 2.887 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817908063 632728965 /nfs/dbraw/zinc/72/89/65/632728965.db2.gz NDZRKQKLORSQGO-OKZBNKHCSA-N 2 0 288.435 2.550 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000817935338 632735565 /nfs/dbraw/zinc/73/55/65/632735565.db2.gz CBLQHRXFIVWARM-GUBZILKMSA-N 2 0 253.217 2.676 20 0 CFADRP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCC2 ZINC000817922191 632735861 /nfs/dbraw/zinc/73/58/61/632735861.db2.gz ADDSDNAXWAFMBA-ZFWWWQNUSA-N 2 0 278.444 2.949 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817927215 632738826 /nfs/dbraw/zinc/73/88/26/632738826.db2.gz ZXORKLGNQRJAMC-JQFCIGGWSA-N 2 0 294.414 2.760 20 0 CFADRP CCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)c1ccccc1 ZINC000817927662 632738891 /nfs/dbraw/zinc/73/88/91/632738891.db2.gz OWWGCSSCFCBBEK-DQVOVIAYSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1(Cl)Cl ZINC000817935682 632738904 /nfs/dbraw/zinc/73/89/04/632738904.db2.gz CRMYOWUBHVLLQK-MXWKQRLJSA-N 2 0 265.228 2.677 20 0 CFADRP CCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](O)c1ccccc1 ZINC000817927665 632738966 /nfs/dbraw/zinc/73/89/66/632738966.db2.gz OWWGCSSCFCBBEK-XAWIXRBMSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1(Cl)Cl ZINC000817937625 632743060 /nfs/dbraw/zinc/74/30/60/632743060.db2.gz SUKNUSNQBMZHCZ-GMTAPVOTSA-N 2 0 265.228 2.820 20 0 CFADRP CCCCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000817943133 632746248 /nfs/dbraw/zinc/74/62/48/632746248.db2.gz JAAUEKPJNMWRKF-GOSISDBHSA-N 2 0 289.467 2.803 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000817943975 632746451 /nfs/dbraw/zinc/74/64/51/632746451.db2.gz UERVFYRFNWIULS-AWEZNQCLSA-N 2 0 264.413 2.962 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cncc(F)c1 ZINC000817947974 632749841 /nfs/dbraw/zinc/74/98/41/632749841.db2.gz HOYYYDFJYISMNU-GFCCVEGCSA-N 2 0 273.355 2.573 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)nc1 ZINC000817959305 632758013 /nfs/dbraw/zinc/75/80/13/632758013.db2.gz FQBGEIKBTLSBET-LOWVWBTDSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817964426 632763446 /nfs/dbraw/zinc/76/34/46/632763446.db2.gz CLVXRPINMDOIPW-CYBMUJFWSA-N 2 0 274.408 2.662 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000817967808 632766124 /nfs/dbraw/zinc/76/61/24/632766124.db2.gz MFIOQVSYHSAYBV-ZDUSSCGKSA-N 2 0 260.381 2.656 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000817967691 632766830 /nfs/dbraw/zinc/76/68/30/632766830.db2.gz BAEFMVMJKUGISI-JSGCOSHPSA-N 2 0 250.361 2.927 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970819 632769434 /nfs/dbraw/zinc/76/94/34/632769434.db2.gz FNOWRZBKEVMSRN-KCQAQPDRSA-N 2 0 262.397 2.876 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC ZINC000817971225 632771465 /nfs/dbraw/zinc/77/14/65/632771465.db2.gz KZCCDAIINQWYBH-XEZPLFJOSA-N 2 0 292.423 2.633 20 0 CFADRP COCC1(C[NH2+][C@H](C)CSC(C)(C)C)CC[NH2+]CC1 ZINC000817973649 632773108 /nfs/dbraw/zinc/77/31/08/632773108.db2.gz FXJAYEPUTGZAMD-CYBMUJFWSA-N 2 0 288.501 2.512 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2C)CC[NH2+]CC1 ZINC000817975827 632773398 /nfs/dbraw/zinc/77/33/98/632773398.db2.gz XVCQRQWIJFUJEI-AWEZNQCLSA-N 2 0 294.414 2.801 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000817982622 632779668 /nfs/dbraw/zinc/77/96/68/632779668.db2.gz UQJMAIWFZGSMQM-SCRDCRAPSA-N 2 0 250.361 2.912 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000817982620 632780081 /nfs/dbraw/zinc/78/00/81/632780081.db2.gz UQJMAIWFZGSMQM-OBJOEFQTSA-N 2 0 250.361 2.912 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000817982984 632780118 /nfs/dbraw/zinc/78/01/18/632780118.db2.gz XHPZPXDAOGWARG-HEHGZKQESA-N 2 0 292.423 2.620 20 0 CFADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817984059 632781209 /nfs/dbraw/zinc/78/12/09/632781209.db2.gz MJHVSOJBBHWZAR-QGZVFWFLSA-N 2 0 286.419 2.972 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000817985998 632781930 /nfs/dbraw/zinc/78/19/30/632781930.db2.gz OZVBZMUSILRRQV-LBPRGKRZSA-N 2 0 256.459 2.806 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccnc(Cl)c1 ZINC000817985023 632781934 /nfs/dbraw/zinc/78/19/34/632781934.db2.gz FQUMNKJUBIMISU-DOERSZECSA-N 2 0 279.815 2.774 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000818334258 632830972 /nfs/dbraw/zinc/83/09/72/632830972.db2.gz LHQXZGAGFWJMIR-NXEZZACHSA-N 2 0 265.228 2.548 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1(O)CCCCC1 ZINC000818960424 632916799 /nfs/dbraw/zinc/91/67/99/632916799.db2.gz ZAJVYTGMERJHSU-INIZCTEOSA-N 2 0 282.472 2.926 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000819079442 632956956 /nfs/dbraw/zinc/95/69/56/632956956.db2.gz AEVUIKMZGBIIDP-HOTGVXAUSA-N 2 0 296.430 2.815 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)C(C)(C)C[NH+](C)C ZINC000819102682 632964451 /nfs/dbraw/zinc/96/44/51/632964451.db2.gz NZVVCADKADIUOW-DOMZBBRYSA-N 2 0 298.858 2.939 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000819115187 632970407 /nfs/dbraw/zinc/97/04/07/632970407.db2.gz FHLOOHSOIZEZII-FBVQUNGASA-N 2 0 288.435 2.633 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000819152526 632986492 /nfs/dbraw/zinc/98/64/92/632986492.db2.gz WFZQVEKMCBSYEI-AEFFLSMTSA-N 2 0 290.451 2.596 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000819152527 632987396 /nfs/dbraw/zinc/98/73/96/632987396.db2.gz WFZQVEKMCBSYEI-FUHWJXTLSA-N 2 0 290.451 2.596 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000819152547 632987572 /nfs/dbraw/zinc/98/75/72/632987572.db2.gz WQGYEYJIVROLQW-WMZOPIPTSA-N 2 0 290.451 2.596 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000819152529 632987641 /nfs/dbraw/zinc/98/76/41/632987641.db2.gz WFZQVEKMCBSYEI-WMZOPIPTSA-N 2 0 290.451 2.596 20 0 CFADRP C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000819227786 633029118 /nfs/dbraw/zinc/02/91/18/633029118.db2.gz FCAXSQLKMDSSHU-PBHICJAKSA-N 2 0 294.414 2.713 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000819376309 633138790 /nfs/dbraw/zinc/13/87/90/633138790.db2.gz ZKBJCMKPJZBCDP-GPANFISMSA-N 2 0 270.461 2.780 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000848563892 633290220 /nfs/dbraw/zinc/29/02/20/633290220.db2.gz YPWLYXPHOIDOOL-FZNQNYSPSA-N 2 0 288.435 2.830 20 0 CFADRP [NH3+]CCCCCCN1Cc2cc(F)c(F)cc2C1 ZINC000848600296 633297739 /nfs/dbraw/zinc/29/77/39/633297739.db2.gz APBLEDDRCKPPGK-UHFFFAOYSA-N 2 0 254.324 2.800 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000848719112 633323656 /nfs/dbraw/zinc/32/36/56/633323656.db2.gz YJYJGIQAEHLURD-GYXIZQIFSA-N 3 0 279.472 2.643 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848718305 633323683 /nfs/dbraw/zinc/32/36/83/633323683.db2.gz IBBOTQNVIQXSQO-LSDHHAIUSA-N 2 0 262.397 2.623 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000848720214 633324070 /nfs/dbraw/zinc/32/40/70/633324070.db2.gz UBVTWHDYDFKWGR-IAGOWNOFSA-N 3 0 281.488 2.892 20 0 CFADRP [NH2+]=C(NCCCCCCC[NH+]1CCCC1)NCC1CCC1 ZINC000848997132 633451698 /nfs/dbraw/zinc/45/16/98/633451698.db2.gz XIGWYTFMEWBCRJ-UHFFFAOYSA-N 2 0 294.487 2.947 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@H+](C)CC)c1 ZINC000848996826 633451915 /nfs/dbraw/zinc/45/19/15/633451915.db2.gz HJBDROUAVVTQHB-CYBMUJFWSA-N 2 0 276.428 2.551 20 0 CFADRP CCCCCCNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000849022869 633465110 /nfs/dbraw/zinc/46/51/10/633465110.db2.gz IACUTWIVLKJSBQ-UHFFFAOYSA-N 2 0 280.460 2.555 20 0 CFADRP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849026329 633467736 /nfs/dbraw/zinc/46/77/36/633467736.db2.gz UVZSHNREWVTCAU-OAHLLOKOSA-N 2 0 280.460 2.553 20 0 CFADRP COc1ccc(NC(=[NH2+])NCCC[N@H+](C)CC(C)C)cc1 ZINC000849046421 633479462 /nfs/dbraw/zinc/47/94/62/633479462.db2.gz GEUCSWJGUJMMHY-UHFFFAOYSA-N 2 0 292.427 2.609 20 0 CFADRP CCc1ccc(NC(=[NH2+])NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000849049774 633480685 /nfs/dbraw/zinc/48/06/85/633480685.db2.gz RJTGACLONXKQKT-OTVXOJSOSA-N 2 0 274.412 2.525 20 0 CFADRP CCC1CCC(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000849066255 633482894 /nfs/dbraw/zinc/48/28/94/633482894.db2.gz LHZYJPCFTYGGBR-GPANFISMSA-N 2 0 294.487 2.801 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000849349585 633625770 /nfs/dbraw/zinc/62/57/70/633625770.db2.gz DMGWCKLYRMOPSY-RYQLBKOJSA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCC(C(F)(F)F)CC2)CCCC1 ZINC000849350046 633626121 /nfs/dbraw/zinc/62/61/21/633626121.db2.gz OFJVBZJEIKQXRE-UHFFFAOYSA-N 2 0 264.335 2.969 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCO1 ZINC000849350810 633626196 /nfs/dbraw/zinc/62/61/96/633626196.db2.gz XEYWPYGAEZGMHN-RYQLBKOJSA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000849350322 633626295 /nfs/dbraw/zinc/62/62/95/633626295.db2.gz XUEGBTDKQCVVKI-GHMZBOCLSA-N 2 0 264.335 2.969 20 0 CFADRP CCCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850007238 633788453 /nfs/dbraw/zinc/78/84/53/633788453.db2.gz HTENSLQUWFRGBP-UHFFFAOYSA-N 2 0 258.369 2.937 20 0 CFADRP COc1cncc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000850031008 633796625 /nfs/dbraw/zinc/79/66/25/633796625.db2.gz NZFYSENNPBBUKM-OAHLLOKOSA-N 2 0 291.439 2.692 20 0 CFADRP CC(C)(C)SCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850120222 633847700 /nfs/dbraw/zinc/84/77/00/633847700.db2.gz ZGAAKFNEXQBTJW-UHFFFAOYSA-N 2 0 290.436 2.889 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850266662 633918513 /nfs/dbraw/zinc/91/85/13/633918513.db2.gz HBYSPTRUEXIYHR-OLZOCXBDSA-N 2 0 256.353 2.546 20 0 CFADRP Cc1ncc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000850419892 633985574 /nfs/dbraw/zinc/98/55/74/633985574.db2.gz IOTICYVINXXQKM-UHFFFAOYSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000850506461 634022160 /nfs/dbraw/zinc/02/21/60/634022160.db2.gz BMMPRYCJRLHABS-HOCLYGCPSA-N 2 0 274.408 2.996 20 0 CFADRP C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000850506462 634022425 /nfs/dbraw/zinc/02/24/25/634022425.db2.gz BMMPRYCJRLHABS-ZBFHGGJFSA-N 2 0 274.408 2.996 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]1C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC000850581239 634060943 /nfs/dbraw/zinc/06/09/43/634060943.db2.gz DXBOZMFBFZMYJS-DLBZAZTESA-N 2 0 262.441 2.887 20 0 CFADRP [NH3+][C@@H]1CN(CCC2SCCS2)C[C@H]1c1ccccc1 ZINC000853023009 634879389 /nfs/dbraw/zinc/87/93/89/634879389.db2.gz KCKRLUDHYWDASX-UONOGXRCSA-N 2 0 294.489 2.609 20 0 CFADRP Cc1ncc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000853093043 634901473 /nfs/dbraw/zinc/90/14/73/634901473.db2.gz ACORBLMMDBCLKG-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239584 634948404 /nfs/dbraw/zinc/94/84/04/634948404.db2.gz IHAYGTGEZCCFRL-HYVNUMGLSA-N 2 0 262.441 2.887 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221147 635261677 /nfs/dbraw/zinc/26/16/77/635261677.db2.gz HFBYJYGDJXJAKH-GDZNZVCISA-N 2 0 272.392 2.589 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000854229718 635266690 /nfs/dbraw/zinc/26/66/90/635266690.db2.gz VFVGRKFDXULWIO-UYHISHBKSA-N 2 0 297.402 2.678 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)C[C@@H]([NH3+])C1 ZINC000925489824 635730150 /nfs/dbraw/zinc/73/01/50/635730150.db2.gz RSOVEIJBHOLPPV-CVEARBPZSA-N 2 0 288.435 2.660 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cc2)C12CCC2 ZINC000925490006 635761939 /nfs/dbraw/zinc/76/19/39/635761939.db2.gz GMYOIHYNWOARIK-KGLIPLIRSA-N 2 0 280.799 2.578 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000925491548 635966990 /nfs/dbraw/zinc/96/69/90/635966990.db2.gz DIQYVSBLBZOPLG-DLBZAZTESA-N 2 0 287.451 2.554 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000857847007 636030815 /nfs/dbraw/zinc/03/08/15/636030815.db2.gz SHBKPUWVRGMMSY-MRXNPFEDSA-N 2 0 284.407 2.639 20 0 CFADRP C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115577 636131920 /nfs/dbraw/zinc/13/19/20/636131920.db2.gz MHKXEEVEIFRKAC-HUUCEWRRSA-N 2 0 276.424 2.916 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)CC1(C)C ZINC000858141495 636137976 /nfs/dbraw/zinc/13/79/76/636137976.db2.gz QCHGEJDQWOTCRH-QGZVFWFLSA-N 2 0 272.436 2.864 20 0 CFADRP Cc1cc([C@](C)(O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)o1 ZINC000858145350 636139473 /nfs/dbraw/zinc/13/94/73/636139473.db2.gz RQKIRBWIEPBCSH-RHSMWYFYSA-N 2 0 294.439 2.566 20 0 CFADRP CN1CCC[C@H]1C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000858307976 636183133 /nfs/dbraw/zinc/18/31/33/636183133.db2.gz XCBBOHZLKJIPOP-KRWDZBQOSA-N 2 0 287.451 2.861 20 0 CFADRP COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000858368487 636210839 /nfs/dbraw/zinc/21/08/39/636210839.db2.gz BKFGFTNHUQURQY-QDIHITRGSA-N 2 0 296.455 2.571 20 0 CFADRP Cc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158847781 650239246 /nfs/dbraw/zinc/23/92/46/650239246.db2.gz KPTSJLFGAQOOFZ-AEFFLSMTSA-N 2 0 288.435 2.790 20 0 CFADRP COCC[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214176 636506903 /nfs/dbraw/zinc/50/69/03/636506903.db2.gz FKIDGUHOQRYBRC-AWEZNQCLSA-N 2 0 264.413 2.605 20 0 CFADRP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000859861364 636729159 /nfs/dbraw/zinc/72/91/59/636729159.db2.gz GTSRFPFXXULJCU-DOTOQJQBSA-N 2 0 282.472 2.591 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000863543699 637689818 /nfs/dbraw/zinc/68/98/18/637689818.db2.gz WCWFVFFVVDPFNW-FIQHERPVSA-N 2 0 264.335 2.838 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863549112 637692545 /nfs/dbraw/zinc/69/25/45/637692545.db2.gz ZYMOANOIPINPNF-DZGCQCFKSA-N 2 0 282.815 2.671 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCc3ccc(Cl)cc32)CC[NH2+]C1 ZINC000863653791 637727083 /nfs/dbraw/zinc/72/70/83/637727083.db2.gz PPBYGIIFBUNXSJ-GJZGRUSLSA-N 2 0 264.800 2.917 20 0 CFADRP c1ccc(N2CC[C@@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000864054820 637848916 /nfs/dbraw/zinc/84/89/16/637848916.db2.gz BKNUGAAOYQQGFS-FUHWJXTLSA-N 2 0 299.462 2.777 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000120520330 638278926 /nfs/dbraw/zinc/27/89/26/638278926.db2.gz WJUKZYUIXFUBJA-WBMJQRKESA-N 2 0 296.842 2.693 20 0 CFADRP c1cc(C[NH2+]CC[C@H]2CCSC2)n(-c2cc[nH+]cc2)n1 ZINC000865651079 638487471 /nfs/dbraw/zinc/48/74/71/638487471.db2.gz NNVRHVAHIBWGPU-ZDUSSCGKSA-N 2 0 288.420 2.500 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000865716600 638531504 /nfs/dbraw/zinc/53/15/04/638531504.db2.gz AWDWNRPPWBDFPG-ZBFHGGJFSA-N 2 0 268.445 2.654 20 0 CFADRP c1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)n[nH]1 ZINC000865718461 638532772 /nfs/dbraw/zinc/53/27/72/638532772.db2.gz ZTVKRUGTWVKELL-UHFFFAOYSA-N 2 0 298.434 2.802 20 0 CFADRP CCc1nn(C)cc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716947 638532881 /nfs/dbraw/zinc/53/28/81/638532881.db2.gz IZJDGOHFXSAKGC-UHFFFAOYSA-N 2 0 292.471 2.583 20 0 CFADRP COC(C)(C)CC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000865755431 638554182 /nfs/dbraw/zinc/55/41/82/638554182.db2.gz VUAWVCBJYFWXIX-UHFFFAOYSA-N 2 0 279.409 2.839 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000865766010 638562080 /nfs/dbraw/zinc/56/20/80/638562080.db2.gz WYPIQBXIULECJU-UHFFFAOYSA-N 2 0 286.423 2.687 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000865775314 638565433 /nfs/dbraw/zinc/56/54/33/638565433.db2.gz UMJVUSHAAZRUHA-MCIONIFRSA-N 2 0 296.455 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1(C)C ZINC000865783394 638571742 /nfs/dbraw/zinc/57/17/42/638571742.db2.gz MLUJSXZUTAPXBP-JYJNAYRXSA-N 2 0 280.456 2.512 20 0 CFADRP C1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)([C@H]2CCCCO2)C1 ZINC000865856153 638616957 /nfs/dbraw/zinc/61/69/57/638616957.db2.gz GFUDUJZRLZOVDU-HRCADAONSA-N 2 0 278.440 2.695 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2([C@@H]3CCCCO3)CCC2)CC1(C)C ZINC000865856687 638617117 /nfs/dbraw/zinc/61/71/17/638617117.db2.gz JXWLIXFCYHUBDM-CABCVRRESA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866213391 638771683 /nfs/dbraw/zinc/77/16/83/638771683.db2.gz QHQUPMAENKICOO-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866213393 638771916 /nfs/dbraw/zinc/77/19/16/638771916.db2.gz QHQUPMAENKICOO-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP C(C[NH2+][C@H](C1CCC1)[C@H]1CCCO1)C[NH+]1CCCCC1 ZINC000866219135 638772923 /nfs/dbraw/zinc/77/29/23/638772923.db2.gz HGVFEIRSYJXPDG-IAGOWNOFSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCCO2)C1 ZINC000866283253 638788858 /nfs/dbraw/zinc/78/88/58/638788858.db2.gz WQMKYWZOKSEMLF-YLFCFFPRSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866337387 638798732 /nfs/dbraw/zinc/79/87/32/638798732.db2.gz QONXPRZJTYUULE-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000866366718 638805868 /nfs/dbraw/zinc/80/58/68/638805868.db2.gz AOPQZDRIDJIPIQ-BTFYYFJDSA-N 2 0 273.424 2.994 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2)[C@@H](C)C1 ZINC000866478395 638827951 /nfs/dbraw/zinc/82/79/51/638827951.db2.gz ICMUAPVSUCMISY-IHRRRGAJSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1c2ccccc2OC[C@H]1F)C1CC1 ZINC000866369925 638806838 /nfs/dbraw/zinc/80/68/38/638806838.db2.gz PDWSQESCGBQMCB-WBVHZDCISA-N 2 0 292.398 2.922 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000866404115 638815926 /nfs/dbraw/zinc/81/59/26/638815926.db2.gz XWQOVIJHIBQHIC-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2F)[C@@H]2CCC[C@@H]21 ZINC000866451189 638824387 /nfs/dbraw/zinc/82/43/87/638824387.db2.gz GBNIHDIMJKJVJZ-LXFSFDBISA-N 2 0 254.393 2.730 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000866467276 638826223 /nfs/dbraw/zinc/82/62/23/638826223.db2.gz BUBFGSCNJNNWHT-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000866467746 638826230 /nfs/dbraw/zinc/82/62/30/638826230.db2.gz PAOKKCQEKPIICA-CRAIPNDOSA-N 2 0 293.499 2.569 20 0 CFADRP CC[C@H](COC)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467238 638826326 /nfs/dbraw/zinc/82/63/26/638826326.db2.gz ASGFVGLCXLVDCM-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2)[C@@H]2CCC[C@H]21 ZINC000866479925 638827827 /nfs/dbraw/zinc/82/78/27/638827827.db2.gz AWGCOVHFGJTPNN-ZQDZILKHSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H]([NH2+]Cc1noc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC000866512977 638833657 /nfs/dbraw/zinc/83/36/57/638833657.db2.gz HHMQVSPHWPQNQW-LLVKDONJSA-N 2 0 291.370 2.787 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)CCC1 ZINC000866516535 638834588 /nfs/dbraw/zinc/83/45/88/638834588.db2.gz BMKOFXBETLUSIR-WLYUNCDWSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1ncccc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705766 638868128 /nfs/dbraw/zinc/86/81/28/638868128.db2.gz AQULHWYZVKWDHO-INIZCTEOSA-N 2 0 261.413 2.587 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000866705888 638868570 /nfs/dbraw/zinc/86/85/70/638868570.db2.gz IVFMNNFYTLDYFG-ZDUSSCGKSA-N 2 0 296.377 2.652 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866709053 638868904 /nfs/dbraw/zinc/86/89/04/638868904.db2.gz VMPWUVYLBBLHGW-KRWDZBQOSA-N 2 0 276.424 2.892 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000866706155 638868927 /nfs/dbraw/zinc/86/89/27/638868927.db2.gz ADJWIDZYIVIVKK-PBHICJAKSA-N 2 0 282.472 2.889 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCCCCC[NH3+])C1 ZINC000866707359 638869158 /nfs/dbraw/zinc/86/91/58/638869158.db2.gz MUSQFWGDIQNTNL-INIZCTEOSA-N 3 0 269.477 2.593 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872022253 641551905 /nfs/dbraw/zinc/55/19/05/641551905.db2.gz IQLGNFZMAVMPAX-JKSUJKDBSA-N 2 0 283.504 2.817 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)[C@H]2CCCOC2)C1 ZINC000872024571 641555171 /nfs/dbraw/zinc/55/51/71/641555171.db2.gz TXXGWCDWCBLXLU-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nccn1CCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872025490 641557102 /nfs/dbraw/zinc/55/71/02/641557102.db2.gz NROFQEAOUFPZJL-HNNXBMFYSA-N 2 0 277.412 2.663 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(O)ccc1F ZINC000872028653 641559117 /nfs/dbraw/zinc/55/91/17/641559117.db2.gz LRMNGDQSPDZBJH-NSHDSACASA-N 2 0 254.349 2.524 20 0 CFADRP CC[C@H](CC1CCCCC1)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000872033110 641562814 /nfs/dbraw/zinc/56/28/14/641562814.db2.gz FEZYOCSXYNYPKL-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872041647 641576297 /nfs/dbraw/zinc/57/62/97/641576297.db2.gz JKTAGIJJXKRDLX-JSGCOSHPSA-N 2 0 298.402 2.539 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872041736 641576970 /nfs/dbraw/zinc/57/69/70/641576970.db2.gz KPCKRVDGINLCPZ-STQMWFEESA-N 2 0 298.402 2.539 20 0 CFADRP CC(C)OC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000872115906 641647207 /nfs/dbraw/zinc/64/72/07/641647207.db2.gz HJYVXTXVYSANRK-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@H](O)c1ccccc1 ZINC000872136543 641664574 /nfs/dbraw/zinc/66/45/74/641664574.db2.gz LZBJRKKUHISKFM-ZWKOTPCHSA-N 2 0 290.451 2.961 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000872146555 641673439 /nfs/dbraw/zinc/67/34/39/641673439.db2.gz QTUNLLQEIJEZPH-QGZVFWFLSA-N 3 0 293.499 2.717 20 0 CFADRP Fc1ccc(O[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000872145961 641673714 /nfs/dbraw/zinc/67/37/14/641673714.db2.gz APENZZHTWOKWPX-KRWDZBQOSA-N 2 0 292.398 2.669 20 0 CFADRP CCN(C(=O)C[N@H+](C)CCCCCC[NH3+])C1CCCCC1 ZINC000872155434 641675553 /nfs/dbraw/zinc/67/55/53/641675553.db2.gz RTBHUWLPKMJZJI-UHFFFAOYSA-N 2 0 297.487 2.619 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCc1ccc3ccccc3c1)C2 ZINC000872154429 641675606 /nfs/dbraw/zinc/67/56/06/641675606.db2.gz ZVEUAIWYFJYMNV-RBUKOAKNSA-N 2 0 280.415 2.924 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCOc1cccc(Cl)c1)C2 ZINC000872154289 641675938 /nfs/dbraw/zinc/67/59/38/641675938.db2.gz UOYCMHFBSUBMRY-XJKSGUPXSA-N 2 0 294.826 2.650 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(-n2ccnc2)cc1 ZINC000872155593 641676016 /nfs/dbraw/zinc/67/60/16/641676016.db2.gz SABTYZKWNBIGNO-UHFFFAOYSA-N 2 0 286.423 2.823 20 0 CFADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155198 641676176 /nfs/dbraw/zinc/67/61/76/641676176.db2.gz NLLZAFYNARCOPV-HOTGVXAUSA-N 2 0 297.487 2.617 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156239 641676903 /nfs/dbraw/zinc/67/69/03/641676903.db2.gz GUURGYLHRWPSDR-LZLYRXPVSA-N 3 0 293.499 2.606 20 0 CFADRP CC(=O)Nc1cccc(C[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155707 641677439 /nfs/dbraw/zinc/67/74/39/641677439.db2.gz TUEGLPPRVSZKRX-UHFFFAOYSA-N 2 0 277.412 2.596 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000872228557 641709286 /nfs/dbraw/zinc/70/92/86/641709286.db2.gz JQIURQYJAJHKOA-CGZBRXJRSA-N 2 0 294.414 2.712 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CC[NH2+]1 ZINC000872255296 641719151 /nfs/dbraw/zinc/71/91/51/641719151.db2.gz AVMMLIUWOHQNJF-HLLBOEOZSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000872253777 641719374 /nfs/dbraw/zinc/71/93/74/641719374.db2.gz IIFDNGNSMXEJMK-CQSZACIVSA-N 2 0 264.388 2.736 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc(F)cc2F)C1 ZINC000872252799 641719547 /nfs/dbraw/zinc/71/95/47/641719547.db2.gz VRWRHAGCSARFMT-AWEZNQCLSA-N 2 0 282.378 2.875 20 0 CFADRP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872255335 641721298 /nfs/dbraw/zinc/72/12/98/641721298.db2.gz CCSBBJCMVSLENV-HOCLYGCPSA-N 2 0 268.445 2.783 20 0 CFADRP COCC1(C)CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873209414 642068427 /nfs/dbraw/zinc/06/84/27/642068427.db2.gz NCKDYFNWFSZJGV-UHFFFAOYSA-N 2 0 294.464 2.642 20 0 CFADRP c1c(C[NH2+][C@H]2CNc3ccccc3C2)sc2c1C[NH2+]CC2 ZINC000873213963 642070287 /nfs/dbraw/zinc/07/02/87/642070287.db2.gz SPGNVJZOACCDQQ-CQSZACIVSA-N 2 0 299.443 2.520 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)C2 ZINC000873219811 642072767 /nfs/dbraw/zinc/07/27/67/642072767.db2.gz GADCNXGWMXFCJR-XJKSGUPXSA-N 2 0 288.435 2.530 20 0 CFADRP C[C@@H](C[NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000873220628 642073796 /nfs/dbraw/zinc/07/37/96/642073796.db2.gz PUDKPKMUZYUFQN-QWHCGFSZSA-N 2 0 264.388 2.907 20 0 CFADRP C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000873222397 642075382 /nfs/dbraw/zinc/07/53/82/642075382.db2.gz QMSPOQBWHCFAOK-ZDUSSCGKSA-N 2 0 285.391 2.819 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H](C)C3CC[NH2+]CC3)cc2c1 ZINC000873222204 642075548 /nfs/dbraw/zinc/07/55/48/642075548.db2.gz GOLXKFFTXVXGBI-LBPRGKRZSA-N 2 0 288.391 2.919 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000873223639 642075988 /nfs/dbraw/zinc/07/59/88/642075988.db2.gz QHNAIUBMNKEFQV-QGZVFWFLSA-N 2 0 286.423 2.531 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000873223419 642076977 /nfs/dbraw/zinc/07/69/77/642076977.db2.gz MGZWXNJCZCTHGE-QGZVFWFLSA-N 2 0 286.423 2.760 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000873223494 642077054 /nfs/dbraw/zinc/07/70/54/642077054.db2.gz OWBLDCNDQKDGBV-FUHWJXTLSA-N 3 0 295.515 2.674 20 0 CFADRP COCCC1([NH2+]C/C=C\c2ccc(F)cc2)CC[NH2+]CC1 ZINC000873224786 642077778 /nfs/dbraw/zinc/07/77/78/642077778.db2.gz MGHJUHOXWZCEKY-IHWYPQMZSA-N 2 0 292.398 2.587 20 0 CFADRP COCCC1([NH2+]C[C@@H]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000873224551 642078237 /nfs/dbraw/zinc/07/82/37/642078237.db2.gz FOPGKKJTLJFIAA-GJZGRUSLSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@H](C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000873228552 642080189 /nfs/dbraw/zinc/08/01/89/642080189.db2.gz FZRVDZUDTFQRMQ-HYVNUMGLSA-N 2 0 258.409 2.722 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(-c3cccnc3)c1)C2 ZINC000873229319 642081226 /nfs/dbraw/zinc/08/12/26/642081226.db2.gz RYYHNKZCRLLKAR-RBUKOAKNSA-N 2 0 293.414 2.790 20 0 CFADRP C[C@H](C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2)Cc1ccccc1 ZINC000873231136 642083829 /nfs/dbraw/zinc/08/38/29/642083829.db2.gz IPFWVIPVRKWVKA-USXIJHARSA-N 2 0 258.409 2.739 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cnc([C@H]2CCCO2)s1 ZINC000873231282 642083995 /nfs/dbraw/zinc/08/39/95/642083995.db2.gz CKBGFLADPVRJFS-CQSZACIVSA-N 2 0 297.468 2.946 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232199 642085507 /nfs/dbraw/zinc/08/55/07/642085507.db2.gz MXSKHLVAOOWQRJ-BFYDXBDKSA-N 2 0 282.472 2.889 20 0 CFADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH2+]C1 ZINC000873238261 642089678 /nfs/dbraw/zinc/08/96/78/642089678.db2.gz YRNFOWJZQFUXQC-QBPKDAKJSA-N 2 0 293.499 2.665 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000873246546 642093460 /nfs/dbraw/zinc/09/34/60/642093460.db2.gz WOTMJBWSORKJTO-MRXNPFEDSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c[nH]c2cc1F ZINC000873247441 642094220 /nfs/dbraw/zinc/09/42/20/642094220.db2.gz MSTHMLYDXSONOP-BLLLJJGKSA-N 2 0 289.398 2.888 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H]3CCC[C@@H]3[NH3+])c[nH]c2cc1F ZINC000873246988 642094362 /nfs/dbraw/zinc/09/43/62/642094362.db2.gz GKNKJXIVZCRDLX-LSDHHAIUSA-N 2 0 275.371 2.627 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873249549 642095686 /nfs/dbraw/zinc/09/56/86/642095686.db2.gz LTKABAKWQYKLDB-SOKAGKCESA-N 2 0 274.408 2.514 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000873250737 642096461 /nfs/dbraw/zinc/09/64/61/642096461.db2.gz ISBPCIQADNZLLA-SLBVQIDZSA-N 2 0 258.409 2.896 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000873250940 642097214 /nfs/dbraw/zinc/09/72/14/642097214.db2.gz SBNOSCAWFPXASP-WCXIOVBPSA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000873252481 642097559 /nfs/dbraw/zinc/09/75/59/642097559.db2.gz SSTIMFIPJXSRBU-BHYNMZESSA-N 2 0 250.773 2.654 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873251142 642097767 /nfs/dbraw/zinc/09/77/67/642097767.db2.gz JJYQXIYFIPQDDA-RVMXOQNASA-N 2 0 276.346 2.848 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C2CC2)c1 ZINC000873252202 642098276 /nfs/dbraw/zinc/09/82/76/642098276.db2.gz PYUPXVGWZGDFHO-UAGQMJEPSA-N 2 0 258.409 2.643 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3C[C@@H]([NH3+])C3)oc21 ZINC000873252678 642099157 /nfs/dbraw/zinc/09/91/57/642099157.db2.gz VKSSXIVINOPDCQ-WZRBSPASSA-N 2 0 274.364 2.829 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000873252649 642099372 /nfs/dbraw/zinc/09/93/72/642099372.db2.gz USFQDHJXPPMSQE-BBWFWOEESA-N 2 0 260.425 2.889 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)s1 ZINC000873254983 642100758 /nfs/dbraw/zinc/10/07/58/642100758.db2.gz CEFQSFOWWOHOPV-XHNCKOQMSA-N 2 0 289.242 2.899 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1Oc1ccccc1 ZINC000873255245 642100824 /nfs/dbraw/zinc/10/08/24/642100824.db2.gz FGGGZMZUZMGYMX-XOUADPBQSA-N 2 0 274.408 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)s1 ZINC000873254982 642101059 /nfs/dbraw/zinc/10/10/59/642101059.db2.gz CEFQSFOWWOHOPV-HLTSFMKQSA-N 2 0 289.242 2.899 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873255905 642101547 /nfs/dbraw/zinc/10/15/47/642101547.db2.gz KFPQGBVYRJWFJQ-BREBYQMCSA-N 2 0 283.213 2.837 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873256148 642101884 /nfs/dbraw/zinc/10/18/84/642101884.db2.gz KNKHEGXNTIIDBU-KFZJALRRSA-N 2 0 292.398 2.620 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000873255588 642101895 /nfs/dbraw/zinc/10/18/95/642101895.db2.gz HRRXIANJKXOZGR-JBLDHEPKSA-N 2 0 270.323 2.676 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000873257483 642102886 /nfs/dbraw/zinc/10/28/86/642102886.db2.gz SSTIMFIPJXSRBU-GAJTVXKRSA-N 2 0 250.773 2.654 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258578 642103342 /nfs/dbraw/zinc/10/33/42/642103342.db2.gz SGWBCRNTTXPTKG-NHCYSSNCSA-N 2 0 268.788 2.737 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000873257757 642103509 /nfs/dbraw/zinc/10/35/09/642103509.db2.gz KFPQGBVYRJWFJQ-GIPNMCIBSA-N 2 0 283.213 2.837 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCO2 ZINC000873259274 642104533 /nfs/dbraw/zinc/10/45/33/642104533.db2.gz BFKUYGKRPGUGBV-VIRABCJISA-N 2 0 288.391 2.597 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000873259506 642104603 /nfs/dbraw/zinc/10/46/03/642104603.db2.gz GBLWENGEPDPDTD-WBMYTEFPSA-N 2 0 279.453 2.941 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873259103 642104649 /nfs/dbraw/zinc/10/46/49/642104649.db2.gz XVYNTFLMWMGKDB-CHIMOYNISA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260862 642105459 /nfs/dbraw/zinc/10/54/59/642105459.db2.gz JAMFNCWCHGCGGQ-RMEBNNNOSA-N 2 0 250.430 2.931 20 0 CFADRP Fc1cncc([C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000873260905 642105532 /nfs/dbraw/zinc/10/55/32/642105532.db2.gz JQHNMPKPHVLGGR-GLZXHMCRSA-N 2 0 289.398 2.792 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260861 642105636 /nfs/dbraw/zinc/10/56/36/642105636.db2.gz JAMFNCWCHGCGGQ-QMIVOQANSA-N 2 0 250.430 2.931 20 0 CFADRP FC(F)C1CCC([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000873262011 642106502 /nfs/dbraw/zinc/10/65/02/642106502.db2.gz VBNHOPFTAFPUGP-WZBFQNDOSA-N 2 0 272.383 2.931 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)C1CC[NH2+]CC1 ZINC000873267586 642109906 /nfs/dbraw/zinc/10/99/06/642109906.db2.gz GVDOQFCNLWSIRU-KGLIPLIRSA-N 2 0 275.440 2.791 20 0 CFADRP C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)C1CC[NH2+]CC1 ZINC000873267468 642109969 /nfs/dbraw/zinc/10/99/69/642109969.db2.gz DDXYZUOGUCRNDX-OGHNNQOOSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)C1CC[NH2+]CC1 ZINC000873268058 642111250 /nfs/dbraw/zinc/11/12/50/642111250.db2.gz QEDJGBFMVTUKIR-CABCVRRESA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C1CC[NH2+]CC1 ZINC000873269969 642111647 /nfs/dbraw/zinc/11/16/47/642111647.db2.gz NIBVPWVBEWXVCE-LSDHHAIUSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C1CC[NH2+]CC1 ZINC000873270230 642111779 /nfs/dbraw/zinc/11/17/79/642111779.db2.gz PPIZSRICDVWISU-MEDUHNTESA-N 2 0 262.372 2.791 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000873270511 642112558 /nfs/dbraw/zinc/11/25/58/642112558.db2.gz VZYBRMGGNNUIIS-QWHCGFSZSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)C1CC[NH2+]CC1 ZINC000873270818 642112843 /nfs/dbraw/zinc/11/28/43/642112843.db2.gz AVMBNINZMJVPMO-QFYYESIMSA-N 2 0 280.362 2.930 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000873272153 642113579 /nfs/dbraw/zinc/11/35/79/642113579.db2.gz PQUVWZQPNOPBAA-ZBEGNZNMSA-N 2 0 298.377 2.630 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273130 642114330 /nfs/dbraw/zinc/11/43/30/642114330.db2.gz YFJGFHGFLDWGOW-WDEREUQCSA-N 2 0 268.426 2.795 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000873276141 642115153 /nfs/dbraw/zinc/11/51/53/642115153.db2.gz RCSAIMAKYULQKS-VXGBXAGGSA-N 2 0 261.369 2.996 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000873276047 642115508 /nfs/dbraw/zinc/11/55/08/642115508.db2.gz QKWGQKAZLVTYMZ-VBQJREDUSA-N 2 0 275.440 2.898 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290938 642123006 /nfs/dbraw/zinc/12/30/06/642123006.db2.gz CKICQEZVPOZIPK-BRWVUGGUSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291979 642123924 /nfs/dbraw/zinc/12/39/24/642123924.db2.gz JRBWPUZJVMLYKZ-YVSFHVDLSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)C1CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291204 642124024 /nfs/dbraw/zinc/12/40/24/642124024.db2.gz VRQRIDMLXHPYKT-JCYILVPMSA-N 2 0 294.483 2.950 20 0 CFADRP C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294041 642124606 /nfs/dbraw/zinc/12/46/06/642124606.db2.gz SEJLZCMVVFJJQT-BRWVUGGUSA-N 2 0 292.467 2.704 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCCC[C@H]1C ZINC000873294778 642125392 /nfs/dbraw/zinc/12/53/92/642125392.db2.gz ZXGLOJSURJCAKP-TWMKSMIVSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294392 642125914 /nfs/dbraw/zinc/12/59/14/642125914.db2.gz RNJNADDZVNYCGL-ZIAGYGMSSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873296379 642127960 /nfs/dbraw/zinc/12/79/60/642127960.db2.gz YQWSQSSGCSDYJA-IUDNXUCKSA-N 2 0 261.413 2.737 20 0 CFADRP CC(C)[NH+]1CCC(NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000019912911 642203111 /nfs/dbraw/zinc/20/31/11/642203111.db2.gz LZBBAEGDDBLYKX-INIZCTEOSA-N 3 0 281.488 2.713 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000019913147 642203924 /nfs/dbraw/zinc/20/39/24/642203924.db2.gz MHHIPMGMSBBRAK-HNNXBMFYSA-N 2 0 296.455 2.526 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000019914750 642204287 /nfs/dbraw/zinc/20/42/87/642204287.db2.gz CDRXWFWMCRRROW-MRXNPFEDSA-N 3 0 283.504 2.959 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000084217982 650773518 /nfs/dbraw/zinc/77/35/18/650773518.db2.gz KITUKIQGQKEZMZ-DGCLKSJQSA-N 2 0 283.213 2.666 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C)CCCC3)CC[C@H]21 ZINC000876812551 643020526 /nfs/dbraw/zinc/02/05/26/643020526.db2.gz MPTDCWBVGQGPPY-HUUCEWRRSA-N 2 0 250.430 2.983 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000876936802 643071780 /nfs/dbraw/zinc/07/17/80/643071780.db2.gz LVEQUJHUDDOJFD-UHFFFAOYSA-N 2 0 290.451 2.548 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CC1(Cl)Cl)C[NH+]1CCCC1 ZINC000876945361 643075511 /nfs/dbraw/zinc/07/55/11/643075511.db2.gz BCFOZCDMCSAALW-MNOVXSKESA-N 2 0 265.228 2.502 20 0 CFADRP FC(F)(F)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000088420841 650812614 /nfs/dbraw/zinc/81/26/14/650812614.db2.gz WEQXIQLPPLJESV-LLVKDONJSA-N 2 0 264.335 2.650 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877019951 643106313 /nfs/dbraw/zinc/10/63/13/643106313.db2.gz VASBSUPBZAYPTD-LLVKDONJSA-N 2 0 265.228 2.502 20 0 CFADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000877020913 643107439 /nfs/dbraw/zinc/10/74/39/643107439.db2.gz ITDBCMBBRXUGGC-BFUOFWGJSA-N 2 0 290.388 2.641 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877073974 643136627 /nfs/dbraw/zinc/13/66/27/643136627.db2.gz WSQMWQCJWSCVGV-HBNTYKKESA-N 2 0 265.228 2.643 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(Cl)nn1 ZINC000877142737 643174133 /nfs/dbraw/zinc/17/41/33/643174133.db2.gz VCWQXPYMBSHGHG-GFCCVEGCSA-N 2 0 284.835 2.730 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497305 643309745 /nfs/dbraw/zinc/30/97/45/643309745.db2.gz MTPFDCYWMNBDPE-JKSUJKDBSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@@H](C)[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497304 643310310 /nfs/dbraw/zinc/31/03/10/643310310.db2.gz MTPFDCYWMNBDPE-HZPDHXFCSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877596155 643387996 /nfs/dbraw/zinc/38/79/96/643387996.db2.gz NSHPNUJHVNADRY-WHXUTIOJSA-N 2 0 265.228 2.643 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2cccc(Cl)c2N)C1 ZINC000877654544 643434878 /nfs/dbraw/zinc/43/48/78/643434878.db2.gz ZSZPQGQNNQLSLN-LBPRGKRZSA-N 2 0 281.831 2.744 20 0 CFADRP CCC[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684312 643453392 /nfs/dbraw/zinc/45/33/92/643453392.db2.gz LKEXNJVGVBEMOS-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000877697894 643460669 /nfs/dbraw/zinc/46/06/69/643460669.db2.gz RHQGNOAHPKFFBO-UHFFFAOYSA-N 2 0 298.471 2.676 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000877698335 643461089 /nfs/dbraw/zinc/46/10/89/643461089.db2.gz XJGJCPBIZCXKOE-IAGOWNOFSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000877711243 643477046 /nfs/dbraw/zinc/47/70/46/643477046.db2.gz AIDVXYBROOOQLE-UHFFFAOYSA-N 2 0 298.434 2.982 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CC1(F)F ZINC000877711384 643477564 /nfs/dbraw/zinc/47/75/64/643477564.db2.gz GOPFDKIYBIORBX-CQLXCSJHSA-N 2 0 260.372 2.883 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000877711728 643478981 /nfs/dbraw/zinc/47/89/81/643478981.db2.gz WMRRMBWSZGVNIJ-UHFFFAOYSA-N 2 0 277.412 2.905 20 0 CFADRP Cc1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)no1 ZINC000877718632 643481951 /nfs/dbraw/zinc/48/19/51/643481951.db2.gz NMZWUMPQVHOXFC-UHFFFAOYSA-N 2 0 299.418 2.736 20 0 CFADRP Cc1cc(C)cc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000877737950 643498351 /nfs/dbraw/zinc/49/83/51/643498351.db2.gz JBMQZHFPYUUWIZ-ROUUACIJSA-N 2 0 272.436 2.872 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877742927 643516523 /nfs/dbraw/zinc/51/65/23/643516523.db2.gz HOKLWLFSQIOKES-CHWSQXEVSA-N 2 0 250.411 2.583 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cnccc43)CC[C@H]21 ZINC000877743580 643518282 /nfs/dbraw/zinc/51/82/82/643518282.db2.gz WXMHGLBMVIVFLF-FUHWJXTLSA-N 2 0 281.403 2.761 20 0 CFADRP CC(C)C[N@@H+](Cc1ccc(=O)[nH]c1)CC1CC[NH+](C)CC1 ZINC000877767739 643546882 /nfs/dbraw/zinc/54/68/82/643546882.db2.gz VSAMPCKQBRQWSD-UHFFFAOYSA-N 2 0 291.439 2.587 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000089749220 650853894 /nfs/dbraw/zinc/85/38/94/650853894.db2.gz XDDYOPWDJWXGAN-GFCCVEGCSA-N 2 0 297.240 2.881 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878047428 643711512 /nfs/dbraw/zinc/71/15/12/643711512.db2.gz GWGZNPXZWHWNED-BZSNNMDCSA-N 2 0 294.483 2.996 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCOC2)CC1CC[NH+](C)CC1 ZINC000878096531 643732978 /nfs/dbraw/zinc/73/29/78/643732978.db2.gz ILGFRCXOXWMWCO-UHFFFAOYSA-N 2 0 288.435 2.533 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)O1 ZINC000878123771 643748612 /nfs/dbraw/zinc/74/86/12/643748612.db2.gz FMKNXZYIPNYMJR-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)OC1 ZINC000878133797 643754448 /nfs/dbraw/zinc/75/44/48/643754448.db2.gz MQWYKVONXCDDAZ-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878148231 643760046 /nfs/dbraw/zinc/76/00/46/643760046.db2.gz MSPZFJCBAFPASW-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)CO3)CC[C@H]21 ZINC000878196463 643789077 /nfs/dbraw/zinc/78/90/77/643789077.db2.gz BUPCUAKCNGQREW-OWCLPIDISA-N 2 0 280.456 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(F)(F)F)[C@@H](C)C1 ZINC000878258661 643811168 /nfs/dbraw/zinc/81/11/68/643811168.db2.gz TUKYTROETZWXDM-NWDGAFQWSA-N 2 0 282.350 2.575 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1CC2(CCC2)C1 ZINC000878288438 643822707 /nfs/dbraw/zinc/82/27/07/643822707.db2.gz WXGJWRHPALPFGX-IXDOHACOSA-N 2 0 292.467 2.750 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000878411714 643881293 /nfs/dbraw/zinc/88/12/93/643881293.db2.gz NLVHLXLZSAAWPM-ANQUJSFKSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878513181 643922207 /nfs/dbraw/zinc/92/22/07/643922207.db2.gz XIFRUENGJUQWHX-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000878512043 643922246 /nfs/dbraw/zinc/92/22/46/643922246.db2.gz JPCAPNQJHREXCV-OAHLLOKOSA-N 2 0 250.430 2.983 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878513388 643923553 /nfs/dbraw/zinc/92/35/53/643923553.db2.gz ZYDGSNDDYVGMDW-GJZGRUSLSA-N 2 0 282.472 2.996 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCCC3CC3)C2)CC1 ZINC000878549966 643938328 /nfs/dbraw/zinc/93/83/28/643938328.db2.gz SFUGXNRYHSKUPO-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)CC1 ZINC000878550151 643938367 /nfs/dbraw/zinc/93/83/67/643938367.db2.gz WCDATDGNPYYCJT-IXDOHACOSA-N 2 0 292.467 2.752 20 0 CFADRP C[N@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608406 643956820 /nfs/dbraw/zinc/95/68/20/643956820.db2.gz QVZLOIMBTWQDKU-ACZWAOPVSA-N 2 0 278.440 2.501 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC000879209200 644176332 /nfs/dbraw/zinc/17/63/32/644176332.db2.gz GOFIRWRMIWCWPU-MRXNPFEDSA-N 2 0 282.472 2.734 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580761 644336772 /nfs/dbraw/zinc/33/67/72/644336772.db2.gz KFXOLONHCRAACY-IAGOWNOFSA-N 2 0 288.435 2.654 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879597224 644344133 /nfs/dbraw/zinc/34/41/33/644344133.db2.gz ZACPENFURXWTCD-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@H]1C[C@H](Nc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000127957705 644385327 /nfs/dbraw/zinc/38/53/27/644385327.db2.gz ZSHWKFNJKGTXSF-GOEBONIOSA-N 2 0 291.439 2.522 20 0 CFADRP CC(C)C[N@H+](C[C@@H]1CC[C@@H](C)O1)CC1CC[NH+](C)CC1 ZINC000879703773 644389167 /nfs/dbraw/zinc/38/91/67/644389167.db2.gz WYBMTTMLNYCDOQ-WBVHZDCISA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)C[N@H+](CC[C@@H](O)C(C)C)CC1CC[NH+](C)CC1 ZINC000879706450 644390750 /nfs/dbraw/zinc/39/07/50/644390750.db2.gz XVDCYMZTZRREHN-QGZVFWFLSA-N 2 0 284.488 2.693 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949949 644469400 /nfs/dbraw/zinc/46/94/00/644469400.db2.gz AHWDIJUYQDGMQR-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)F)C1 ZINC000093210277 650935484 /nfs/dbraw/zinc/93/54/84/650935484.db2.gz ACKIPSXMRAMNIL-RYUDHWBXSA-N 2 0 270.323 2.648 20 0 CFADRP FC1CC[NH+](CCCC[NH+]2CCC(F)CC2)CC1 ZINC000880239857 644603276 /nfs/dbraw/zinc/60/32/76/644603276.db2.gz HJMDMMSWTAKXCX-UHFFFAOYSA-N 2 0 260.372 2.634 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H](C)C1 ZINC000248587248 650939401 /nfs/dbraw/zinc/93/94/01/650939401.db2.gz YDVXYHBHGQPVPH-YOEHRIQHSA-N 2 0 290.451 2.734 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880317284 644651159 /nfs/dbraw/zinc/65/11/59/644651159.db2.gz QNPIFFRGBLZOOB-ZIAGYGMSSA-N 2 0 279.453 2.807 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)c1ccccc1 ZINC000880372108 644673470 /nfs/dbraw/zinc/67/34/70/644673470.db2.gz SFUDCVUUNDXYEE-ZWKOTPCHSA-N 2 0 290.451 2.699 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCOc1ccccc1 ZINC000093516111 650941852 /nfs/dbraw/zinc/94/18/52/650941852.db2.gz LTXYGCOXCQMTMZ-HOTGVXAUSA-N 2 0 276.424 2.966 20 0 CFADRP CC[N@H+](CCCn1ccnc1C)[C@@H](CO)c1ccccc1 ZINC000880464867 644724009 /nfs/dbraw/zinc/72/40/09/644724009.db2.gz WFVSBXSYIIBOSA-KRWDZBQOSA-N 2 0 287.407 2.637 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000249961690 650969850 /nfs/dbraw/zinc/96/98/50/650969850.db2.gz DMSHXBZQISPAEO-RCCFBDPRSA-N 2 0 293.499 2.761 20 0 CFADRP c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250538406 650975214 /nfs/dbraw/zinc/97/52/14/650975214.db2.gz OJUXTIHSCZHYQY-BRWVUGGUSA-N 2 0 274.408 2.576 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000250808808 650980304 /nfs/dbraw/zinc/98/03/04/650980304.db2.gz JOIFJXCLTGLLQP-BRSBDYLESA-N 2 0 288.435 2.620 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000250808812 650980454 /nfs/dbraw/zinc/98/04/54/650980454.db2.gz JOIFJXCLTGLLQP-BSDSXHPESA-N 2 0 288.435 2.620 20 0 CFADRP CSCC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000129626323 645296264 /nfs/dbraw/zinc/29/62/64/645296264.db2.gz WLPYTZHLKJTHBN-LEWSCRJBSA-N 2 0 250.411 2.862 20 0 CFADRP CSCC[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000129669077 645315445 /nfs/dbraw/zinc/31/54/45/645315445.db2.gz FHNAFPXWQCQBTD-ZDUSSCGKSA-N 2 0 279.453 2.782 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414088 651003502 /nfs/dbraw/zinc/00/35/02/651003502.db2.gz GPTXUFLIVCFJKV-IAGOWNOFSA-N 2 0 288.435 2.838 20 0 CFADRP COc1ccccc1[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130169977 645465962 /nfs/dbraw/zinc/46/59/62/645465962.db2.gz UUBOJMTZZWUZKU-RBSFLKMASA-N 2 0 274.408 2.973 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000130902865 645589980 /nfs/dbraw/zinc/58/99/80/645589980.db2.gz ASKCIYGDXNUAAG-RYUDHWBXSA-N 2 0 284.350 2.938 20 0 CFADRP CC(C)c1c[nH]c(C[NH2+]C(C)(C)CCC[NH+](C)C)n1 ZINC000883134656 645620345 /nfs/dbraw/zinc/62/03/45/645620345.db2.gz FTYZYKABCKESJQ-UHFFFAOYSA-N 2 0 266.433 2.743 20 0 CFADRP CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC(F)(F)C1 ZINC000883250733 645698538 /nfs/dbraw/zinc/69/85/38/645698538.db2.gz LKYZVNWNKGORQA-UHFFFAOYSA-N 2 0 292.333 2.792 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCSC1)C(C)(C)C ZINC000131518663 645739016 /nfs/dbraw/zinc/73/90/16/645739016.db2.gz MPICFPHNVRCXLR-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)OCCc3ccccc32)CC[N@@H+]1C ZINC000883340657 645750234 /nfs/dbraw/zinc/75/02/34/645750234.db2.gz WBBBMPIRGFXMSH-KYJSFNMBSA-N 2 0 288.435 2.547 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCOC1 ZINC000883352507 645756318 /nfs/dbraw/zinc/75/63/18/645756318.db2.gz CDFXNCULCACVHK-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000883353976 645758027 /nfs/dbraw/zinc/75/80/27/645758027.db2.gz IGYYBDNXRCENDL-KBAYOESNSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883416469 645808954 /nfs/dbraw/zinc/80/89/54/645808954.db2.gz VRCAZQRUICSSAY-RYQLBKOJSA-N 2 0 288.435 2.968 20 0 CFADRP C[N@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883416415 645809573 /nfs/dbraw/zinc/80/95/73/645809573.db2.gz UHQAPTBGRYAIOX-IAGOWNOFSA-N 2 0 274.408 2.591 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883417053 645810814 /nfs/dbraw/zinc/81/08/14/645810814.db2.gz MHTIWBMSRIDZDR-RYQLBKOJSA-N 2 0 288.435 2.838 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883417406 645811463 /nfs/dbraw/zinc/81/14/63/645811463.db2.gz ZILZKIFFQWOCOE-MSOLQXFVSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883425217 645819119 /nfs/dbraw/zinc/81/91/19/645819119.db2.gz OSGQPFBGGRWSOZ-BZSNNMDCSA-N 2 0 286.419 2.592 20 0 CFADRP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)O2)cc1 ZINC000883425219 645819638 /nfs/dbraw/zinc/81/96/38/645819638.db2.gz OSGQPFBGGRWSOZ-OKZBNKHCSA-N 2 0 286.419 2.592 20 0 CFADRP C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883428891 645821711 /nfs/dbraw/zinc/82/17/11/645821711.db2.gz FYKFVJWJSPGJQY-SJJHQCBESA-N 2 0 274.408 2.718 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883428303 645822272 /nfs/dbraw/zinc/82/22/72/645822272.db2.gz QPDJGLDBCKYAGH-YESZJQIVSA-N 2 0 274.408 2.577 20 0 CFADRP C[N@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883428890 645822328 /nfs/dbraw/zinc/82/23/28/645822328.db2.gz FYKFVJWJSPGJQY-GQGLESIBSA-N 2 0 274.408 2.718 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000883429252 645823520 /nfs/dbraw/zinc/82/35/20/645823520.db2.gz QICWWLWDZIPDBI-CABCVRRESA-N 2 0 277.412 2.503 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1C[NH3+] ZINC000883432597 645826246 /nfs/dbraw/zinc/82/62/46/645826246.db2.gz VRAIZYXHGHZGTB-AGIUHOORSA-N 2 0 260.372 2.729 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCCC(C)(C)O1)CC[NH2+]CC2 ZINC000883434328 645828252 /nfs/dbraw/zinc/82/82/52/645828252.db2.gz NNCJZWNYGFSDGU-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883441333 645834233 /nfs/dbraw/zinc/83/42/33/645834233.db2.gz LWQZTOOLMDFRJO-FPCVCCKLSA-N 2 0 274.408 2.622 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000883447615 645837112 /nfs/dbraw/zinc/83/71/12/645837112.db2.gz GWKDWQBJXTXJHI-KRWDZBQOSA-N 2 0 289.467 2.884 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000883459576 645843858 /nfs/dbraw/zinc/84/38/58/645843858.db2.gz BKAXFEPMKGXEOV-SJORKVTESA-N 2 0 286.419 2.519 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000883462591 645845576 /nfs/dbraw/zinc/84/55/76/645845576.db2.gz UYSNHIHRMFGXMF-FUHWJXTLSA-N 2 0 294.483 2.905 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000131883515 645845590 /nfs/dbraw/zinc/84/55/90/645845590.db2.gz IPVMBJZSGMEECU-FPCVCCKLSA-N 2 0 280.456 2.654 20 0 CFADRP C(C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000883462592 645845784 /nfs/dbraw/zinc/84/57/84/645845784.db2.gz UYSNHIHRMFGXMF-SJLPKXTDSA-N 2 0 294.483 2.905 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000883464032 645846910 /nfs/dbraw/zinc/84/69/10/645846910.db2.gz CTMZFRNIZKOHBH-SWLSCSKDSA-N 2 0 259.397 2.521 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131991422 645858566 /nfs/dbraw/zinc/85/85/66/645858566.db2.gz WVBKGUBJIQOYTE-XFBWCDHKSA-N 2 0 256.349 2.945 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000132091514 645876554 /nfs/dbraw/zinc/87/65/54/645876554.db2.gz DSBYVHPIWJPZFH-DZGCQCFKSA-N 2 0 262.397 2.736 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000132140825 645882705 /nfs/dbraw/zinc/88/27/05/645882705.db2.gz WWPSUPGFWSQHDO-KGLIPLIRSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000097989299 651056328 /nfs/dbraw/zinc/05/63/28/651056328.db2.gz BETLAPOYHZJSTK-SFHVURJKSA-N 2 0 290.451 2.610 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000135380293 646528003 /nfs/dbraw/zinc/52/80/03/646528003.db2.gz FUVXNSYTTAHXAC-XJKSGUPXSA-N 2 0 269.392 2.807 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000135378770 646528249 /nfs/dbraw/zinc/52/82/49/646528249.db2.gz WSEFWSKSUPWMKL-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP Cc1n[nH]c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000885916354 646768072 /nfs/dbraw/zinc/76/80/72/646768072.db2.gz XSANNXDWUPIINS-UHFFFAOYSA-N 2 0 298.434 2.912 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000885922752 646769492 /nfs/dbraw/zinc/76/94/92/646769492.db2.gz GXMNUVSLTAWCNZ-ZDUSSCGKSA-N 2 0 278.444 2.628 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2[nH]nc(C)c2C)c1 ZINC000885969586 646788984 /nfs/dbraw/zinc/78/89/84/646788984.db2.gz XCVICJPSAQMFDE-UHFFFAOYSA-N 2 0 286.423 2.768 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886027841 646827548 /nfs/dbraw/zinc/82/75/48/646827548.db2.gz JBEMBZAQVSLEDX-SZMVWBNQSA-N 2 0 292.467 2.608 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886032526 646831509 /nfs/dbraw/zinc/83/15/09/646831509.db2.gz IGMOCZQCZUJISK-HOTGVXAUSA-N 2 0 280.456 2.609 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCSC(F)(F)F)[C@@H](C)C1 ZINC000886069952 646854280 /nfs/dbraw/zinc/85/42/80/646854280.db2.gz MUIGUFJZUCJJHH-WDEREUQCSA-N 2 0 284.391 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C3CC3)O2)[C@H](C)C1 ZINC000886069828 646854297 /nfs/dbraw/zinc/85/42/97/646854297.db2.gz KWAPVHFADGNCNU-BSWAZPDLSA-N 2 0 280.456 2.606 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000886102706 646873541 /nfs/dbraw/zinc/87/35/41/646873541.db2.gz NSJGHAFVUWOGND-RDHHWEPZSA-N 2 0 280.456 2.941 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000886311694 646964207 /nfs/dbraw/zinc/96/42/07/646964207.db2.gz BYVLOORTQVBFMI-OAHLLOKOSA-N 2 0 294.414 2.839 20 0 CFADRP CCN1CCC[C@H]1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886491771 647018231 /nfs/dbraw/zinc/01/82/31/647018231.db2.gz QKSKEAOVRAIXOI-ADKAHSJRSA-N 2 0 293.499 2.857 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCn2cccn2)CC1 ZINC000886498896 647020555 /nfs/dbraw/zinc/02/05/55/647020555.db2.gz TWTSQKUXTKKNDS-UHFFFAOYSA-N 2 0 290.455 2.660 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCO1 ZINC000886501300 647020743 /nfs/dbraw/zinc/02/07/43/647020743.db2.gz FESFACRYOBAIRP-ORBLRFAASA-N 2 0 280.456 2.941 20 0 CFADRP CN(C)[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886507351 647023627 /nfs/dbraw/zinc/02/36/27/647023627.db2.gz GRYAGHRZSUAVIF-LXPRWKDFSA-N 2 0 293.499 2.713 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000886516286 647025543 /nfs/dbraw/zinc/02/55/43/647025543.db2.gz ATLIKLOVCOCFGL-WMLDXEAASA-N 2 0 280.456 2.941 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000886526453 647030018 /nfs/dbraw/zinc/03/00/18/647030018.db2.gz MIZHUDNVTLPQTO-YZUHTNEWSA-N 2 0 280.456 2.677 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCN1C ZINC000886533353 647033300 /nfs/dbraw/zinc/03/33/00/647033300.db2.gz ZEAWTMAPNMNGMV-RZZCCWGQSA-N 2 0 293.499 2.856 20 0 CFADRP CC(C)[C@@H](CCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886533204 647033507 /nfs/dbraw/zinc/03/35/07/647033507.db2.gz WRXYVLQCKIEQRF-AQFXKWCLSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@H](O)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886541615 647038601 /nfs/dbraw/zinc/03/86/01/647038601.db2.gz YQDUNJQOOOQSFF-PCKAHOCUSA-N 2 0 268.445 2.534 20 0 CFADRP C/C=C\C[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594374 647059384 /nfs/dbraw/zinc/05/93/84/647059384.db2.gz LFNLQNHPWLSAEI-YCZKOUEWSA-N 2 0 280.456 2.700 20 0 CFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594675 647059428 /nfs/dbraw/zinc/05/94/28/647059428.db2.gz RGKINZZLCJBWLM-KRIMKBQASA-N 2 0 280.456 2.533 20 0 CFADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594674 647059884 /nfs/dbraw/zinc/05/98/84/647059884.db2.gz RGKINZZLCJBWLM-GYMHETDLSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(C)(C)O ZINC000886615879 647068722 /nfs/dbraw/zinc/06/87/22/647068722.db2.gz PVEGNVZNJLQTLJ-ISXOHVOVSA-N 2 0 282.472 2.923 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(C)(C)O ZINC000886615878 647069096 /nfs/dbraw/zinc/06/90/96/647069096.db2.gz PVEGNVZNJLQTLJ-CKDBGZEDSA-N 2 0 282.472 2.923 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000886631556 647078193 /nfs/dbraw/zinc/07/81/93/647078193.db2.gz PXBRZMUJOADBSA-IZTSSTLKSA-N 2 0 278.440 2.693 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC000886633445 647079310 /nfs/dbraw/zinc/07/93/10/647079310.db2.gz VZTLGOFORIXOIB-UHFFFAOYSA-N 2 0 294.483 2.926 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)[C@H]2CCC[C@@H]21 ZINC000886717986 647120746 /nfs/dbraw/zinc/12/07/46/647120746.db2.gz NSNWWUAKJDQRPN-WCVJEAGWSA-N 2 0 280.456 2.654 20 0 CFADRP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841906 647160215 /nfs/dbraw/zinc/16/02/15/647160215.db2.gz ZWDUHKKPGMJWNL-BZSNNMDCSA-N 2 0 292.467 2.656 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886841304 647160823 /nfs/dbraw/zinc/16/08/23/647160823.db2.gz HTUFERXIRYKFQS-DFBDCSAJSA-N 2 0 292.467 2.783 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCCOC(C)(C)C ZINC000887133067 647222310 /nfs/dbraw/zinc/22/23/10/647222310.db2.gz SKTLTQIPUVALDV-OAHLLOKOSA-N 2 0 291.439 2.797 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132404 647222860 /nfs/dbraw/zinc/22/28/60/647222860.db2.gz FEQPIHRPMNWXPN-CABCVRRESA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1CC=CC1 ZINC000887134254 647223589 /nfs/dbraw/zinc/22/35/89/647223589.db2.gz GEUVZWVPMSEERK-CQSZACIVSA-N 2 0 257.381 2.558 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C[C@@H]([NH3+])C1 ZINC000925495276 647854403 /nfs/dbraw/zinc/85/44/03/647854403.db2.gz QCCLNDLXXSSJQW-QLFBSQMISA-N 2 0 296.842 2.869 20 0 CFADRP COc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925495337 647855237 /nfs/dbraw/zinc/85/52/37/647855237.db2.gz UGSITCQCCLTABD-PMPSAXMXSA-N 2 0 274.408 2.561 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000924528864 647986620 /nfs/dbraw/zinc/98/66/20/647986620.db2.gz RICRZFUDGNOVLK-STQMWFEESA-N 2 0 253.390 2.836 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924526904 647987195 /nfs/dbraw/zinc/98/71/95/647987195.db2.gz IDOZZBMRWVLVTQ-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000924530036 647988085 /nfs/dbraw/zinc/98/80/85/647988085.db2.gz YUILIBKGDQISBD-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)CCCNC1CC[NH+](CCC(C)C)CC1 ZINC000924528634 647988223 /nfs/dbraw/zinc/98/82/23/647988223.db2.gz OQEASRPDJAPOJG-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CCC(C)C)CC1 ZINC000924561455 647995710 /nfs/dbraw/zinc/99/57/10/647995710.db2.gz WNNPQZAZDWESMP-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924570096 647997826 /nfs/dbraw/zinc/99/78/26/647997826.db2.gz MOHUVCJJULKBGW-CYBMUJFWSA-N 2 0 275.440 2.911 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1ccnn1C1CCC1 ZINC000924617485 648009486 /nfs/dbraw/zinc/00/94/86/648009486.db2.gz ONKSBJOESDWNLE-CQSZACIVSA-N 2 0 278.444 2.989 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCc2cccnc2)CC1 ZINC000924632219 648013619 /nfs/dbraw/zinc/01/36/19/648013619.db2.gz BWKRYUSQGFETSI-UHFFFAOYSA-N 2 0 275.440 2.724 20 0 CFADRP CC[C@H](CNC1CC[NH+](CCC(C)C)CC1)[NH+]1CCCC1 ZINC000924639104 648015613 /nfs/dbraw/zinc/01/56/13/648015613.db2.gz NPSXJOXCNNMXMO-GOSISDBHSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000924680092 648024718 /nfs/dbraw/zinc/02/47/18/648024718.db2.gz AVYNDHFZKFLWEE-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)on1 ZINC000924681030 648025452 /nfs/dbraw/zinc/02/54/52/648025452.db2.gz KNARRRJIEQWRSE-CQSZACIVSA-N 2 0 295.427 2.846 20 0 CFADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000924681573 648025617 /nfs/dbraw/zinc/02/56/17/648025617.db2.gz PFNVUTBDVQVXEQ-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP CCON1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000924685458 648026467 /nfs/dbraw/zinc/02/64/67/648026467.db2.gz IXYFJTUJNDYIRF-MRXNPFEDSA-N 2 0 297.487 2.504 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(O)cc(F)c1 ZINC000924696966 648029494 /nfs/dbraw/zinc/02/94/94/648029494.db2.gz RMTVXLMJSUOXLT-NILFDRSVSA-N 2 0 278.371 2.809 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924793957 648049295 /nfs/dbraw/zinc/04/92/95/648049295.db2.gz XDCYDMPJHOXUHQ-KGLIPLIRSA-N 2 0 264.413 2.681 20 0 CFADRP CCCC[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924844945 648057831 /nfs/dbraw/zinc/05/78/31/648057831.db2.gz CKVONDMTBVWGLD-QZTJIDSGSA-N 2 0 293.499 2.857 20 0 CFADRP COCC[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924889175 648066910 /nfs/dbraw/zinc/06/69/10/648066910.db2.gz AHYQKXDKADOEFE-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@H+](CCNC1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000924904589 648069510 /nfs/dbraw/zinc/06/95/10/648069510.db2.gz RQDOCNPKLVSZAH-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2[C@H](C)CC[C@H]2C)CC1 ZINC000924911046 648071219 /nfs/dbraw/zinc/07/12/19/648071219.db2.gz APFATBJHFPRLEU-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@H](C)[N@H+](C)CCNC1CC[NH+](CCC(C)C)CC1 ZINC000924917470 648072050 /nfs/dbraw/zinc/07/20/50/648072050.db2.gz QOCHRJVTNXWTRG-INIZCTEOSA-N 2 0 283.504 2.817 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924953917 648077725 /nfs/dbraw/zinc/07/77/25/648077725.db2.gz FRLDMVUTYWMWAC-DLBZAZTESA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(OC)n1 ZINC000924953509 648077932 /nfs/dbraw/zinc/07/79/32/648077932.db2.gz CHVHNPPANICIOT-OAHLLOKOSA-N 2 0 291.439 2.863 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924955150 648078817 /nfs/dbraw/zinc/07/88/17/648078817.db2.gz MCMQNADGVKKWMT-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924954937 648078927 /nfs/dbraw/zinc/07/89/27/648078927.db2.gz YHVSJRQHKXQMNO-IAGOWNOFSA-N 2 0 297.531 2.776 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924958844 648080240 /nfs/dbraw/zinc/08/02/40/648080240.db2.gz MNZRXUQUNGACRG-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP CON1CCC([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000924960104 648081341 /nfs/dbraw/zinc/08/13/41/648081341.db2.gz YGYCFMXRBLSIIF-UHFFFAOYSA-N 2 0 297.487 2.648 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924989233 648085323 /nfs/dbraw/zinc/08/53/23/648085323.db2.gz DBCQHZBEWVOLAB-NUJGCVRESA-N 2 0 293.499 2.737 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000925053511 648096286 /nfs/dbraw/zinc/09/62/86/648096286.db2.gz JIMBEHHECCBCCS-WMLDXEAASA-N 2 0 276.424 2.825 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cn(C(C)C)nn2)CC1 ZINC000925150155 648117787 /nfs/dbraw/zinc/11/77/87/648117787.db2.gz GPNXAQZWMUVPQL-CQSZACIVSA-N 2 0 293.459 2.632 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccns2)CC1 ZINC000925152796 648118719 /nfs/dbraw/zinc/11/87/19/648118719.db2.gz TZHSSDLNFZKBKF-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C2(Cl)CC2)CC1 ZINC000925156526 648119781 /nfs/dbraw/zinc/11/97/81/648119781.db2.gz MJXJDMZQPJUAGE-GFCCVEGCSA-N 2 0 258.837 2.858 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1CO[C@@H](C)[C@@H]1C)C(C)C ZINC000925198064 648130382 /nfs/dbraw/zinc/13/03/82/648130382.db2.gz XYDRFDUFVANRKA-KKUMJFAQSA-N 2 0 256.434 2.508 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CCCC[C@H]1O ZINC000925211985 648132074 /nfs/dbraw/zinc/13/20/74/648132074.db2.gz DHBXFKUOFGNWIZ-YYIAUSFCSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccnnc1 ZINC000925229584 648137381 /nfs/dbraw/zinc/13/73/81/648137381.db2.gz OCXUMRYAJMUJJZ-ODIFPOPNSA-N 2 0 288.439 2.924 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000925242661 648140364 /nfs/dbraw/zinc/14/03/64/648140364.db2.gz HJVXMMRRYBAEPW-WBVHZDCISA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925308410 648154724 /nfs/dbraw/zinc/15/47/24/648154724.db2.gz PXDNHTUTBCQAFF-CABCVRRESA-N 2 0 286.423 2.684 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000925481533 648179850 /nfs/dbraw/zinc/17/98/50/648179850.db2.gz QQAJAPSEAGLENR-KRWDZBQOSA-N 2 0 290.451 2.756 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(F)cc1 ZINC000925479966 648180189 /nfs/dbraw/zinc/18/01/89/648180189.db2.gz TTYCPTPZLLBULQ-XBJNOIPFSA-N 2 0 288.410 2.689 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925487790 648182452 /nfs/dbraw/zinc/18/24/52/648182452.db2.gz FRSRVTXHQVPTMY-DLBZAZTESA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)c1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)on1 ZINC000925499244 648185150 /nfs/dbraw/zinc/18/51/50/648185150.db2.gz NNMUSKSMLGMYDS-VXGBXAGGSA-N 2 0 265.401 2.794 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925504765 648187566 /nfs/dbraw/zinc/18/75/66/648187566.db2.gz MRYUIJHUPSKOEE-QXSJWSMHSA-N 2 0 281.488 2.602 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925507444 648189852 /nfs/dbraw/zinc/18/98/52/648189852.db2.gz BBCJCWYJQYUXBB-DLBZAZTESA-N 2 0 298.434 2.594 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000925510232 648191628 /nfs/dbraw/zinc/19/16/28/648191628.db2.gz UVJFRFLXIHPUGD-KBPBESRZSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@H](CN[C@H](c1ccccc1)[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000925511498 648191714 /nfs/dbraw/zinc/19/17/14/648191714.db2.gz NXMXFVDTZUVSKD-RYRKJORJSA-N 2 0 289.467 2.785 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)C2)cc1 ZINC000925513385 648192624 /nfs/dbraw/zinc/19/26/24/648192624.db2.gz IZEHDVUQKWIBAF-CGTJXYLNSA-N 2 0 299.462 2.823 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925516799 648194810 /nfs/dbraw/zinc/19/48/10/648194810.db2.gz IVAVAWJUYZSHBL-GOEBONIOSA-N 2 0 289.423 2.641 20 0 CFADRP COc1ccc(OC)c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925518246 648195258 /nfs/dbraw/zinc/19/52/58/648195258.db2.gz NVDTWBQHRUQJJG-UONOGXRCSA-N 2 0 292.423 2.699 20 0 CFADRP COc1ccc(OC)c(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925518244 648195681 /nfs/dbraw/zinc/19/56/81/648195681.db2.gz NVDTWBQHRUQJJG-KBPBESRZSA-N 2 0 292.423 2.699 20 0 CFADRP C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)COC1CCCCC1 ZINC000925520143 648196400 /nfs/dbraw/zinc/19/64/00/648196400.db2.gz QTEUOMDLXDWQER-INIZCTEOSA-N 2 0 280.456 2.990 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)C1 ZINC000925520387 648196688 /nfs/dbraw/zinc/19/66/88/648196688.db2.gz FYIIREAYXKZTAB-BRWVUGGUSA-N 2 0 290.451 2.648 20 0 CFADRP c1ccc([C@@H](C[NH+]2CCCC2)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925521711 648197442 /nfs/dbraw/zinc/19/74/42/648197442.db2.gz ZWOBHLFVDABTHZ-MSOLQXFVSA-N 2 0 299.462 2.698 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925522795 648198195 /nfs/dbraw/zinc/19/81/95/648198195.db2.gz UXMCGBNCJSLPBP-IAOVAPTHSA-N 2 0 288.435 2.876 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000925531357 648203764 /nfs/dbraw/zinc/20/37/64/648203764.db2.gz YOWJWPFYOFFCFO-HOTGVXAUSA-N 2 0 280.456 2.846 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925537704 648205566 /nfs/dbraw/zinc/20/55/66/648205566.db2.gz LPZUEBZFKSJZBZ-KKUMJFAQSA-N 2 0 268.445 2.687 20 0 CFADRP CN(CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925538846 648206802 /nfs/dbraw/zinc/20/68/02/648206802.db2.gz UFJSUZOMPZWYKY-LSDHHAIUSA-N 2 0 275.440 2.618 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2SCCc3ccccc32)C12CCC2 ZINC000925540217 648208115 /nfs/dbraw/zinc/20/81/15/648208115.db2.gz BLMPSOJZKZRUSJ-OAGGEKHMSA-N 2 0 288.460 2.877 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925543294 648209176 /nfs/dbraw/zinc/20/91/76/648209176.db2.gz RNBKIUPIXBFWKB-BSDSXHPESA-N 2 0 293.499 2.617 20 0 CFADRP CN(C)c1ncccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925545831 648210132 /nfs/dbraw/zinc/21/01/32/648210132.db2.gz LCVXEFOQRRPKFM-KRWDZBQOSA-N 2 0 298.434 2.717 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925547224 648211819 /nfs/dbraw/zinc/21/18/19/648211819.db2.gz ARBFJCYNWGXOKQ-OAGGEKHMSA-N 2 0 287.451 2.761 20 0 CFADRP COCc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925558651 648216292 /nfs/dbraw/zinc/21/62/92/648216292.db2.gz PYECXUFUJGJSGB-CVEARBPZSA-N 2 0 276.424 2.829 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925581346 648226116 /nfs/dbraw/zinc/22/61/16/648226116.db2.gz XKWMJNBLFDZOGY-LSDHHAIUSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2cccc(Cl)c2)C12CCC2 ZINC000925582643 648226231 /nfs/dbraw/zinc/22/62/31/648226231.db2.gz BQCBNMHTQYEIIV-UONOGXRCSA-N 2 0 280.799 2.578 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2ccc(F)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925583755 648227073 /nfs/dbraw/zinc/22/70/73/648227073.db2.gz MTMUUYRHYXUFKD-OWCLPIDISA-N 2 0 292.398 2.571 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925587386 648229500 /nfs/dbraw/zinc/22/95/00/648229500.db2.gz YNLGLJNKJPMNQH-CVEARBPZSA-N 2 0 274.408 2.542 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925592546 648230738 /nfs/dbraw/zinc/23/07/38/648230738.db2.gz WTWXZBQXPJYMLZ-CVEARBPZSA-N 2 0 288.435 2.832 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C12CCC2 ZINC000925590305 648230926 /nfs/dbraw/zinc/23/09/26/648230926.db2.gz HFIWVCHUEZQOPR-KBPBESRZSA-N 2 0 296.361 2.690 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2Cc3ccccc3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925599992 648233680 /nfs/dbraw/zinc/23/36/80/648233680.db2.gz BUQOAENDFMYWJC-FGTMMUONSA-N 2 0 284.447 2.768 20 0 CFADRP COC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)C1CC1 ZINC000925598500 648233792 /nfs/dbraw/zinc/23/37/92/648233792.db2.gz RVRUJHDEMFXDND-DYVFJYSZSA-N 2 0 276.424 2.824 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C12CCC2 ZINC000925604335 648236689 /nfs/dbraw/zinc/23/66/89/648236689.db2.gz JPGNMDUJIQPEOO-KLHDSHLOSA-N 2 0 256.393 2.792 20 0 CFADRP c1ccc([C@H]2C[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)cc1 ZINC000925606789 648237492 /nfs/dbraw/zinc/23/74/92/648237492.db2.gz XUVAPIIVTZNLEJ-ZQPIRCLISA-N 2 0 268.404 2.519 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925612644 648240127 /nfs/dbraw/zinc/24/01/27/648240127.db2.gz MZOLCIPRPVLPOE-HUUCEWRRSA-N 2 0 291.439 2.864 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925617095 648241399 /nfs/dbraw/zinc/24/13/99/648241399.db2.gz USYISZCIKITYFU-CHWSQXEVSA-N 2 0 279.453 2.799 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000925616166 648241750 /nfs/dbraw/zinc/24/17/50/648241750.db2.gz KLTCKUGAKCGADH-HFZWIWRYSA-N 2 0 288.439 2.604 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000925620378 648242507 /nfs/dbraw/zinc/24/25/07/648242507.db2.gz VFXMDRAYBDFYMQ-KPFUUTPZSA-N 2 0 282.431 2.678 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925624302 648244859 /nfs/dbraw/zinc/24/48/59/648244859.db2.gz ZIAQHFLRKGCSPO-ZWKOTPCHSA-N 2 0 293.499 2.617 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000925630603 648249802 /nfs/dbraw/zinc/24/98/02/648249802.db2.gz PVSGEOJLBLMYCG-CJNGLKHVSA-N 2 0 258.409 2.522 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000925633299 648252276 /nfs/dbraw/zinc/25/22/76/648252276.db2.gz DFZJYJJJFPNJIC-UPJWGTAASA-N 2 0 256.459 2.768 20 0 CFADRP C[C@H](CCN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+]1CCCCC1 ZINC000925637397 648254762 /nfs/dbraw/zinc/25/47/62/648254762.db2.gz KFSSTROMILBPKU-BZUAXINKSA-N 2 0 281.488 2.747 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925637442 648255061 /nfs/dbraw/zinc/25/50/61/648255061.db2.gz LFMYGNFFPSUNKG-KFWWJZLASA-N 2 0 294.439 2.723 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccccc1 ZINC000925646207 648259153 /nfs/dbraw/zinc/25/91/53/648259153.db2.gz WMOQOYOGUIRZRU-RBUKOAKNSA-N 2 0 298.430 2.660 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925653646 648264363 /nfs/dbraw/zinc/26/43/63/648264363.db2.gz IVNGJWZZUOGVFV-UAGQMJEPSA-N 2 0 279.472 2.514 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925661376 648268823 /nfs/dbraw/zinc/26/88/23/648268823.db2.gz CTDOBYKLYCAZOS-CVEARBPZSA-N 2 0 280.456 2.561 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc21 ZINC000925674925 648274593 /nfs/dbraw/zinc/27/45/93/648274593.db2.gz FNNCNNWJKHOXIJ-CABCVRRESA-N 2 0 286.423 2.569 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000925678763 648276135 /nfs/dbraw/zinc/27/61/35/648276135.db2.gz GERCUJPJWRNZGO-LSDHHAIUSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925683608 648278371 /nfs/dbraw/zinc/27/83/71/648278371.db2.gz TXIJAIYKXLNLGG-HYVNUMGLSA-N 2 0 287.451 2.689 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1 ZINC000925687362 648280258 /nfs/dbraw/zinc/28/02/58/648280258.db2.gz JKWNUJXEBBSBQQ-RDJZCZTQSA-N 2 0 276.424 2.873 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)ccc12 ZINC000925693990 648282530 /nfs/dbraw/zinc/28/25/30/648282530.db2.gz OCGMDPUQACVITO-ROUUACIJSA-N 3 0 298.434 2.592 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)ccc12 ZINC000925693989 648282663 /nfs/dbraw/zinc/28/26/63/648282663.db2.gz OCGMDPUQACVITO-QZTJIDSGSA-N 3 0 298.434 2.592 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1cc(F)c(F)c(F)c1 ZINC000925741471 648305403 /nfs/dbraw/zinc/30/54/03/648305403.db2.gz RXPAUVIHUDTALF-MRVPVSSYSA-N 2 0 260.303 2.882 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000925700204 648285219 /nfs/dbraw/zinc/28/52/19/648285219.db2.gz NOEUKFBYRNXNBB-SMLCLMEVSA-N 2 0 280.456 2.546 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCCc3cc(N)ccc31)[NH2+]2 ZINC000925700790 648285354 /nfs/dbraw/zinc/28/53/54/648285354.db2.gz WLPPCYYCBJJVGR-YRXZQJGNSA-N 2 0 285.435 2.765 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000925699235 648285394 /nfs/dbraw/zinc/28/53/94/648285394.db2.gz JHYODEWOHLINGY-LJQANCHMSA-N 3 0 295.430 2.860 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925703134 648286404 /nfs/dbraw/zinc/28/64/04/648286404.db2.gz CKXGTZDVIAJNJG-OAHLLOKOSA-N 2 0 291.826 2.964 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2COc3cc(F)ccc3C2)C1 ZINC000925704788 648287429 /nfs/dbraw/zinc/28/74/29/648287429.db2.gz FEXYQPOZVODWOJ-RBSFLKMASA-N 2 0 292.398 2.625 20 0 CFADRP C[C@H]1CC[C@@](C)(C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)C1(C)C ZINC000925704423 648287686 /nfs/dbraw/zinc/28/76/86/648287686.db2.gz GZXQJWGSCUAZKV-MTLKIPAASA-N 2 0 294.483 2.791 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1(F)F ZINC000925706511 648288238 /nfs/dbraw/zinc/28/82/38/648288238.db2.gz KSVSNVUDXTZGFE-NOOOWODRSA-N 2 0 272.383 2.644 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000925711108 648291536 /nfs/dbraw/zinc/29/15/36/648291536.db2.gz SPICLUFVJWOQHJ-MIMHPZJCSA-N 2 0 286.419 2.660 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2([C@@H](O)C(C)C)CC2)CC1 ZINC000925713221 648292641 /nfs/dbraw/zinc/29/26/41/648292641.db2.gz WWPBQUROKSNFES-KRWDZBQOSA-N 2 0 296.499 2.884 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccn1 ZINC000925714478 648292654 /nfs/dbraw/zinc/29/26/54/648292654.db2.gz RMDINXPFWKQDOD-HFTRVMKXSA-N 2 0 287.451 2.943 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)CC(F)(F)F ZINC000925716190 648294455 /nfs/dbraw/zinc/29/44/55/648294455.db2.gz LROIAVORFJWRPC-UWVGGRQHSA-N 2 0 264.335 2.825 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCCC1 ZINC000925716891 648295720 /nfs/dbraw/zinc/29/57/20/648295720.db2.gz RSKZXMCCAAYFAW-OKZBNKHCSA-N 2 0 294.483 2.950 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@]2(C)C[C@H]3C[C@H]3C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925717013 648296067 /nfs/dbraw/zinc/29/60/67/648296067.db2.gz HSIJEENPDKXDLL-REISYBLGSA-N 2 0 262.441 2.789 20 0 CFADRP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC(C1CCC1)C1CCC1 ZINC000925721633 648296811 /nfs/dbraw/zinc/29/68/11/648296811.db2.gz POTYVDDSGOABGW-FIDQPZAXSA-N 2 0 292.467 2.545 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccccc1 ZINC000925722892 648297686 /nfs/dbraw/zinc/29/76/86/648297686.db2.gz OTOKRZNWYUCWDS-OAHLLOKOSA-N 2 0 273.355 2.791 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCC2)C1([C@H]2CCCCO2)CCC1 ZINC000925723242 648298215 /nfs/dbraw/zinc/29/82/15/648298215.db2.gz SQZCZNFQWKKEHX-HUUCEWRRSA-N 2 0 278.440 2.600 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925725672 648298813 /nfs/dbraw/zinc/29/88/13/648298813.db2.gz MMVGPCWIQJWIJO-ULQDDVLXSA-N 3 0 293.499 2.523 20 0 CFADRP CC1(C)CC[C@H](CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)[NH2+]C1 ZINC000925725366 648299327 /nfs/dbraw/zinc/29/93/27/648299327.db2.gz JZDLTEYMFLLVTA-IKGGRYGDSA-N 2 0 293.499 2.523 20 0 CFADRP CC1(C)CO[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925731195 648300562 /nfs/dbraw/zinc/30/05/62/648300562.db2.gz SEUKHEDBWMMKQI-JYJNAYRXSA-N 2 0 280.456 2.559 20 0 CFADRP CCSc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000925731499 648300766 /nfs/dbraw/zinc/30/07/66/648300766.db2.gz LDKWWVGCCWOFSP-VBNZEHGJSA-N 2 0 294.464 2.641 20 0 CFADRP C1=C[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000925730692 648301050 /nfs/dbraw/zinc/30/10/50/648301050.db2.gz HQJYCNRLNLTHIF-ZVZYQTTQSA-N 2 0 284.403 2.798 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925734575 648303569 /nfs/dbraw/zinc/30/35/69/648303569.db2.gz AVTSIPIEICCNAR-RWMBFGLXSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000925740687 648305592 /nfs/dbraw/zinc/30/55/92/648305592.db2.gz JTKJRNLOPWEUDA-CYBMUJFWSA-N 2 0 289.423 2.591 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC(C)(C)[NH3+])CCCO2 ZINC000925742686 648306372 /nfs/dbraw/zinc/30/63/72/648306372.db2.gz WURKTFRTVLELKG-AWEZNQCLSA-N 2 0 278.396 2.626 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000925760039 648311519 /nfs/dbraw/zinc/31/15/19/648311519.db2.gz NNVGACCZZCOWOQ-KGLIPLIRSA-N 2 0 268.445 2.782 20 0 CFADRP CCC1([NH3+])CCN([C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925760093 648311715 /nfs/dbraw/zinc/31/17/15/648311715.db2.gz JPNGHFFEPNRFMW-BZUAXINKSA-N 2 0 279.472 2.501 20 0 CFADRP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000925768962 648313761 /nfs/dbraw/zinc/31/37/61/648313761.db2.gz MZPNTNKTWHCXNA-IPYPFGDCSA-N 2 0 290.407 2.768 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C[C@@H]([NH3+])C1 ZINC000925772480 648315606 /nfs/dbraw/zinc/31/56/06/648315606.db2.gz ICWMEUIDQJFSID-CTASWTNQSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925773456 648317957 /nfs/dbraw/zinc/31/79/57/648317957.db2.gz NSYSMLDMPPDWBQ-ZWFSKFMGSA-N 2 0 262.441 2.645 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925776821 648318671 /nfs/dbraw/zinc/31/86/71/648318671.db2.gz MMMIPRHBWGGHBE-MROQNXINSA-N 2 0 260.372 2.646 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779070 648319919 /nfs/dbraw/zinc/31/99/19/648319919.db2.gz WBOPTOZFXLEUPE-ZFWWWQNUSA-N 2 0 297.393 2.627 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779068 648320200 /nfs/dbraw/zinc/32/02/00/648320200.db2.gz WBOPTOZFXLEUPE-UKRRQHHQSA-N 2 0 297.393 2.627 20 0 CFADRP CC1(C)CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000925782083 648321322 /nfs/dbraw/zinc/32/13/22/648321322.db2.gz KOIUJYOPQDTRJA-VXGBXAGGSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925784445 648322513 /nfs/dbraw/zinc/32/25/13/648322513.db2.gz ROCZIBWFNDVRCD-MNOVXSKESA-N 2 0 280.428 2.741 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000925792863 648325092 /nfs/dbraw/zinc/32/50/92/648325092.db2.gz HMIMFALGZJRWDH-RBSFLKMASA-N 2 0 276.424 2.900 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCSc2ccccc21 ZINC000925792242 648325106 /nfs/dbraw/zinc/32/51/06/648325106.db2.gz VJZRTMXPSUZIGG-DYEKYZERSA-N 2 0 262.422 2.669 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1N(C)C ZINC000925793700 648326008 /nfs/dbraw/zinc/32/60/08/648326008.db2.gz ALPFSLPFJJSIOZ-HZSPNIEDSA-N 2 0 293.430 2.788 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000925795173 648326286 /nfs/dbraw/zinc/32/62/86/648326286.db2.gz GRIQEEPWIJZKMO-XJKCOSOUSA-N 2 0 279.403 2.753 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000925799150 648327083 /nfs/dbraw/zinc/32/70/83/648327083.db2.gz MHSSJCNCPQJASE-XYPHTWIQSA-N 2 0 288.435 2.908 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925803951 648328111 /nfs/dbraw/zinc/32/81/11/648328111.db2.gz BANOOZXCLQLAJH-ZWKOTPCHSA-N 2 0 298.434 2.664 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cnn1C(C)C ZINC000925802455 648328253 /nfs/dbraw/zinc/32/82/53/648328253.db2.gz HFWIFIKUOGFABB-UMVBOHGHSA-N 2 0 278.444 2.669 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C[C@@H]([NH3+])C1 ZINC000925804311 648328382 /nfs/dbraw/zinc/32/83/82/648328382.db2.gz GQFMEDRZEPVSEA-RMEBNNNOSA-N 2 0 250.430 2.918 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC1(c2ccccc2)CC1 ZINC000925805914 648329425 /nfs/dbraw/zinc/32/94/25/648329425.db2.gz WSAGQUKPRIVRQL-GDBMZVCRSA-N 2 0 258.409 2.825 20 0 CFADRP CC(C)(C)C1CCC([NH2+]CCN2CCC([NH3+])CC2)CC1 ZINC000925808181 648329987 /nfs/dbraw/zinc/32/99/87/648329987.db2.gz ALKWNIWOYZDMIQ-UHFFFAOYSA-N 2 0 281.488 2.604 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H]2CCO[C@H]21 ZINC000925809043 648329999 /nfs/dbraw/zinc/32/99/99/648329999.db2.gz QULJHYARVQFASL-GVDBMIGSSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cc(N(C)C)cc[nH+]1 ZINC000925813340 648331648 /nfs/dbraw/zinc/33/16/48/648331648.db2.gz SLRBEERCODGJJD-HUUCEWRRSA-N 2 0 290.455 2.548 20 0 CFADRP [NH3+]C1CCN(CC[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000925816945 648332523 /nfs/dbraw/zinc/33/25/23/648332523.db2.gz MCOKSHDIDLFVPD-INIZCTEOSA-N 2 0 279.472 2.502 20 0 CFADRP CC[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925820652 648333696 /nfs/dbraw/zinc/33/36/96/648333696.db2.gz DZDNNENXNKGLDF-UMQBVGHOSA-N 3 0 293.499 2.904 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000925824609 648334190 /nfs/dbraw/zinc/33/41/90/648334190.db2.gz BLNFJXWROJIVGG-RNIJOLEQSA-N 2 0 290.382 2.564 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925833246 648337634 /nfs/dbraw/zinc/33/76/34/648337634.db2.gz ZNDHRNTUMUMEPY-IJLUTSLNSA-N 2 0 282.350 2.594 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925835471 648338189 /nfs/dbraw/zinc/33/81/89/648338189.db2.gz QALNDOUOPFBSCR-ZFWWWQNUSA-N 2 0 278.465 2.929 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+]C2CCC([NH3+])CC2)o1 ZINC000925839915 648340399 /nfs/dbraw/zinc/34/03/99/648340399.db2.gz SJKKDYLZGIQIHX-UHFFFAOYSA-N 2 0 273.380 2.538 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C12CCC2 ZINC000925841263 648341154 /nfs/dbraw/zinc/34/11/54/648341154.db2.gz ZZGLKCVBQYGFIA-LXTVHRRPSA-N 2 0 292.373 2.895 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)CCO2 ZINC000925843517 648342377 /nfs/dbraw/zinc/34/23/77/648342377.db2.gz QRSUREXCTGFVKB-MORSLUCNSA-N 2 0 286.419 2.804 20 0 CFADRP C(CC[NH2+]C1CCCCCCC1)CCN1CC[NH2+]CC1 ZINC000925848372 648344044 /nfs/dbraw/zinc/34/40/44/648344044.db2.gz GMNDDNUXVWMYSK-UHFFFAOYSA-N 2 0 281.488 2.764 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000925862271 648347853 /nfs/dbraw/zinc/34/78/53/648347853.db2.gz ZMKBHALZERCOGE-GVXVVHGQSA-N 2 0 279.453 2.783 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000925871741 648351029 /nfs/dbraw/zinc/35/10/29/648351029.db2.gz GILITYYEBVVJGF-KFWWJZLASA-N 2 0 259.397 2.566 20 0 CFADRP Cc1cc(F)c(CN[C@@H]2CC[NH2+]CC[C@H]2C)c(F)c1 ZINC000925873995 648351782 /nfs/dbraw/zinc/35/17/82/648351782.db2.gz FSKNXFNZFYJZHX-IAQYHMDHSA-N 2 0 268.351 2.751 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000925877115 648353310 /nfs/dbraw/zinc/35/33/10/648353310.db2.gz LPCFTUFFZVBLPG-SNPRPXQTSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925879596 648353820 /nfs/dbraw/zinc/35/38/20/648353820.db2.gz AENUCQLZEYERQJ-WMLDXEAASA-N 2 0 276.424 2.798 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883133 648354339 /nfs/dbraw/zinc/35/43/39/648354339.db2.gz WGCFRSQVQVPULA-YQQAZPJKSA-N 2 0 258.409 2.824 20 0 CFADRP CC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cnn(C)c1 ZINC000925887819 648356034 /nfs/dbraw/zinc/35/60/34/648356034.db2.gz NDNPDYSZFUFLRQ-KURKYZTESA-N 2 0 298.434 2.520 20 0 CFADRP COC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CCC1 ZINC000926114966 648408204 /nfs/dbraw/zinc/40/82/04/648408204.db2.gz NRXMGUGZBCDPEX-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000926114223 648408290 /nfs/dbraw/zinc/40/82/90/648408290.db2.gz LLFSYSYSZVIOHR-HOTGVXAUSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)OCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926153036 648418017 /nfs/dbraw/zinc/41/80/17/648418017.db2.gz BDESXPMZELDUMH-CQSZACIVSA-N 2 0 264.413 2.824 20 0 CFADRP C[C@H]([NH2+]C1COC(C)(C)OC1)c1cccc(C[NH+](C)C)c1 ZINC000926161140 648420757 /nfs/dbraw/zinc/42/07/57/648420757.db2.gz MWHQWBJNSWMUAP-ZDUSSCGKSA-N 2 0 292.423 2.550 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CCCC1 ZINC000926166154 648421242 /nfs/dbraw/zinc/42/12/42/648421242.db2.gz HPHAZCUQTQEWOF-DLBZAZTESA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926230717 648442467 /nfs/dbraw/zinc/44/24/67/648442467.db2.gz WLGBBRHBGHCAEW-YOEHRIQHSA-N 2 0 298.434 2.610 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1coc2ccccc12 ZINC000926256278 648450047 /nfs/dbraw/zinc/45/00/47/648450047.db2.gz VOLHMWHVXAFIIR-ZDUSSCGKSA-N 2 0 276.380 2.662 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C1(Cl)CC1 ZINC000926274445 648453195 /nfs/dbraw/zinc/45/31/95/648453195.db2.gz HKSKABRJXHCMOA-GFCCVEGCSA-N 2 0 258.837 2.858 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926335638 648465183 /nfs/dbraw/zinc/46/51/83/648465183.db2.gz BAQIMLXUIOAQSX-BHUNQDJPSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336334 648465259 /nfs/dbraw/zinc/46/52/59/648465259.db2.gz FKEPXPBFUFGBKA-RDHHWEPZSA-N 2 0 282.472 2.923 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926336343 648465272 /nfs/dbraw/zinc/46/52/72/648465272.db2.gz FKEPXPBFUFGBKA-ZGRYLRDCSA-N 2 0 282.472 2.923 20 0 CFADRP CC1(C)CC2(CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)CO1 ZINC000926337980 648466711 /nfs/dbraw/zinc/46/67/11/648466711.db2.gz UOPRAZHQVYEITA-UHFFFAOYSA-N 2 0 292.467 2.941 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000926359949 648471314 /nfs/dbraw/zinc/47/13/14/648471314.db2.gz DZPJWIAIDDGDKJ-HABKJSAYSA-N 2 0 272.383 2.742 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cccc(C[NH+](C)C)c1 ZINC000926450587 648492348 /nfs/dbraw/zinc/49/23/48/648492348.db2.gz PCOGXOXCAWMPNV-XJKSGUPXSA-N 2 0 298.434 2.679 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)(C)O ZINC000926489229 648506644 /nfs/dbraw/zinc/50/66/44/648506644.db2.gz FLPBUAOGSJKITD-OAHLLOKOSA-N 2 0 270.461 2.636 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000926510598 648514754 /nfs/dbraw/zinc/51/47/54/648514754.db2.gz WKTISUYFPVWWBY-ONXXMXGDSA-N 2 0 299.340 2.530 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1(Br)CC1 ZINC000926565792 648535662 /nfs/dbraw/zinc/53/56/62/648535662.db2.gz BRTDTXHSAUTSPL-SNVBAGLBSA-N 2 0 294.196 2.740 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)ccc12 ZINC000926568223 648536153 /nfs/dbraw/zinc/53/61/53/648536153.db2.gz RKLJRBYWICIPDJ-NVXWUHKLSA-N 2 0 285.391 2.629 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(O)cc(F)c1 ZINC000926573195 648538591 /nfs/dbraw/zinc/53/85/91/648538591.db2.gz JGSXJJMSUNNIIQ-OLZOCXBDSA-N 2 0 280.387 2.914 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000926582233 648542112 /nfs/dbraw/zinc/54/21/12/648542112.db2.gz KRVPCPLBPRBNCC-UKRRQHHQSA-N 2 0 270.486 2.981 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@H](O)C(C)C ZINC000926590002 648543880 /nfs/dbraw/zinc/54/38/80/648543880.db2.gz WYYJAZPATLPZEV-IAGOWNOFSA-N 2 0 284.488 2.882 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000926603368 648549331 /nfs/dbraw/zinc/54/93/31/648549331.db2.gz DRVYIBACGMRDJO-GPANFISMSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926606537 648550189 /nfs/dbraw/zinc/55/01/89/648550189.db2.gz NDIFSRBWDAHGGZ-CKUJCDMFSA-N 2 0 268.445 2.510 20 0 CFADRP COC1CC(CC[NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926675351 648570341 /nfs/dbraw/zinc/57/03/41/648570341.db2.gz ZZXXXBAOWAYGBM-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926733215 648595404 /nfs/dbraw/zinc/59/54/04/648595404.db2.gz UAFRJWCYQCHEPT-HNNXBMFYSA-N 2 0 287.451 2.724 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1(Cl)CC1 ZINC000926738503 648597756 /nfs/dbraw/zinc/59/77/56/648597756.db2.gz MAFNECYHXDUQTL-GXTWGEPZSA-N 2 0 270.848 2.858 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000926763501 648606206 /nfs/dbraw/zinc/60/62/06/648606206.db2.gz PNWLFWOPQIULSH-IVSAIRAKSA-N 2 0 282.472 2.898 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000926791124 648616461 /nfs/dbraw/zinc/61/64/61/648616461.db2.gz NUMQSKWSHVJLLX-HOTGVXAUSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cn(C)cn2)CC1 ZINC000926790724 648617051 /nfs/dbraw/zinc/61/70/51/648617051.db2.gz KYNSGSPUHMIDCN-AWEZNQCLSA-N 2 0 278.444 2.581 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CCC(C)([NH+](C)C)CC3)C2)CO1 ZINC000926795697 648619958 /nfs/dbraw/zinc/61/99/58/648619958.db2.gz IEHSTZQDHHPCAA-CWJHNBGESA-N 2 0 280.456 2.797 20 0 CFADRP CCC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000927018416 648684908 /nfs/dbraw/zinc/68/49/08/648684908.db2.gz OIIFQDJJQPSMSA-RHSMWYFYSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)c2nccn21 ZINC000927035507 648688867 /nfs/dbraw/zinc/68/88/67/648688867.db2.gz AWVZAHAOJVXUNF-BOLLXYOYSA-N 2 0 288.439 2.886 20 0 CFADRP CSC1CC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000927036172 648689636 /nfs/dbraw/zinc/68/96/36/648689636.db2.gz FOQXOPHAWICZLD-UHFFFAOYSA-N 2 0 268.470 2.877 20 0 CFADRP COC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C(C)C ZINC000927037763 648689865 /nfs/dbraw/zinc/68/98/65/648689865.db2.gz KTGSYTLOBSDDKC-PCKAHOCUSA-N 2 0 268.445 2.654 20 0 CFADRP COC1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927040148 648690212 /nfs/dbraw/zinc/69/02/12/648690212.db2.gz XRIHZYBFUPFXND-UHFFFAOYSA-N 2 0 280.456 2.941 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000927039881 648690343 /nfs/dbraw/zinc/69/03/43/648690343.db2.gz WMAJJUWRZVVOGT-ODIFPOPNSA-N 2 0 290.455 2.961 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n(C)n1 ZINC000927038410 648690367 /nfs/dbraw/zinc/69/03/67/648690367.db2.gz QJGVWVMTTCOKRD-UQPPLGOBSA-N 2 0 290.455 2.786 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC[C@H]2OCCc3ccccc32)CC[N@@H+]1C ZINC000927116489 648718365 /nfs/dbraw/zinc/71/83/65/648718365.db2.gz RBFWNWLOJVQWJD-QGPMSJSTSA-N 2 0 288.435 2.763 20 0 CFADRP COC[C@@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000929507499 649062660 /nfs/dbraw/zinc/06/26/60/649062660.db2.gz YFFMAQSUOIENRC-QGZVFWFLSA-N 2 0 284.488 2.957 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000929638229 649083775 /nfs/dbraw/zinc/08/37/75/649083775.db2.gz VHGGQXNMJYWHED-FVQBIDKESA-N 2 0 294.389 2.919 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOC2CC2)C1 ZINC000929644918 649085617 /nfs/dbraw/zinc/08/56/17/649085617.db2.gz XYMUEVGALZRXQX-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](COC)C(C)C)C1 ZINC000929778469 649119053 /nfs/dbraw/zinc/11/90/53/649119053.db2.gz JWNXHZQLWUSRDI-CVEARBPZSA-N 2 0 270.461 2.569 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930061615 649176472 /nfs/dbraw/zinc/17/64/72/649176472.db2.gz TYORFBYICHBLCA-WBTNSWJXSA-N 2 0 262.441 2.981 20 0 CFADRP Cc1ccc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1 ZINC000931431591 649425299 /nfs/dbraw/zinc/42/52/99/649425299.db2.gz BIFRGRXMVBCUNS-WBVHZDCISA-N 2 0 258.409 2.687 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931435425 649426228 /nfs/dbraw/zinc/42/62/28/649426228.db2.gz CZJVJSMCZAZQAZ-HIFRSBDPSA-N 2 0 262.372 2.518 20 0 CFADRP CSc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c1 ZINC000931441463 649427407 /nfs/dbraw/zinc/42/74/07/649427407.db2.gz JFWZSAPDTBUSHB-LSDHHAIUSA-N 2 0 276.449 2.792 20 0 CFADRP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1F ZINC000931441034 649427677 /nfs/dbraw/zinc/42/76/77/649427677.db2.gz ARDAKNCKOOXCHV-CABCVRRESA-N 2 0 262.372 2.518 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439865 649428113 /nfs/dbraw/zinc/42/81/13/649428113.db2.gz OZUXDXBJCGYVGU-RCCFBDPRSA-N 2 0 288.435 2.648 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3CF)C[C@@H]2C1 ZINC000931442931 649428414 /nfs/dbraw/zinc/42/84/14/649428414.db2.gz QHIIIDXMFCKNRT-CVEARBPZSA-N 2 0 262.372 2.540 20 0 CFADRP COC[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C(C)C ZINC000931467120 649434807 /nfs/dbraw/zinc/43/48/07/649434807.db2.gz HOHFYOUDBNBROO-INIZCTEOSA-N 2 0 282.472 2.713 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486384 649439464 /nfs/dbraw/zinc/43/94/64/649439464.db2.gz ZFGPOLNSDFAQPY-INIZCTEOSA-N 2 0 294.414 2.665 20 0 CFADRP Cc1ccccc1OCCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931512037 649444630 /nfs/dbraw/zinc/44/46/30/649444630.db2.gz SFEHQLGDGARJQF-UHFFFAOYSA-N 2 0 297.402 2.799 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000931726555 649480478 /nfs/dbraw/zinc/48/04/78/649480478.db2.gz ONPYGLBMMWWRRV-FUHWJXTLSA-N 2 0 296.418 2.541 20 0 CFADRP Cc1cc(C)nc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC000931765571 649486232 /nfs/dbraw/zinc/48/62/32/649486232.db2.gz YJIJANYFFSKEID-MRXNPFEDSA-N 2 0 296.418 2.804 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000932491548 649609299 /nfs/dbraw/zinc/60/92/99/649609299.db2.gz KNGYJPUGRMCLCV-QAPCUYQASA-N 2 0 288.435 2.797 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@]2(C)C1 ZINC000933734444 649718376 /nfs/dbraw/zinc/71/83/76/649718376.db2.gz SRJRIFCLNJMOBF-ZBFHGGJFSA-N 2 0 278.827 2.766 20 0 CFADRP CN1C[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@]2(C)C1 ZINC000933738290 649718488 /nfs/dbraw/zinc/71/84/88/649718488.db2.gz XCZHQWGRWRPMFE-AEFFLSMTSA-N 2 0 281.403 2.618 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCSC[C@H]1C1CC1 ZINC000933913310 649731200 /nfs/dbraw/zinc/73/12/00/649731200.db2.gz BBOOABKFOYZKDS-CABCVRRESA-N 2 0 268.470 2.688 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934833071 649837432 /nfs/dbraw/zinc/83/74/32/649837432.db2.gz HXCUJPWUYZVQLE-GVDBMIGSSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000305728754 651073638 /nfs/dbraw/zinc/07/36/38/651073638.db2.gz MPCZMCIPQFZDAM-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000721418807 770137767 /nfs/dbraw/zinc/13/77/67/770137767.db2.gz YCJOPPPFUOHULO-QWHCGFSZSA-N 2 0 294.361 2.559 20 0 CFADRP COC1CCC([NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000707415788 770670043 /nfs/dbraw/zinc/67/00/43/770670043.db2.gz BQNZPSQSGNPYOM-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CSc1cc(NC(=[NH2+])SCC[NH3+])ccc1C ZINC001167915643 776858168 /nfs/dbraw/zinc/85/81/68/776858168.db2.gz JCPMRBFDFRXKMA-UHFFFAOYSA-N 2 0 255.412 2.755 20 0 CFADRP CN(CCC[NH+](C)C)Cc1ccccc1-n1cccc1 ZINC001232907358 777716885 /nfs/dbraw/zinc/71/68/85/777716885.db2.gz HFNLZILZDVBCJU-UHFFFAOYSA-N 2 0 271.408 2.861 20 0 CFADRP Cn1c[nH+]cc1N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001277765888 777804142 /nfs/dbraw/zinc/80/41/42/777804142.db2.gz VQRCJRBYCUXLAO-SJORKVTESA-N 2 0 299.422 2.795 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@H](C)C1 ZINC001235821017 778566763 /nfs/dbraw/zinc/56/67/63/778566763.db2.gz WQDWTDPWAVQNSB-HZPDHXFCSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@@H](C)C1 ZINC001235821013 778567187 /nfs/dbraw/zinc/56/71/87/778567187.db2.gz WQDWTDPWAVQNSB-CVEARBPZSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925104 778611505 /nfs/dbraw/zinc/61/15/05/778611505.db2.gz AHDLBLAJUDMKSM-AWEZNQCLSA-N 2 0 250.361 2.756 20 0 CFADRP CS[C@H](C)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001208137016 769865168 /nfs/dbraw/zinc/86/51/68/769865168.db2.gz FRSXUZDJOCBCCT-CYBMUJFWSA-N 2 0 256.459 2.688 20 0 CFADRP CO[C@@H]1CC[N@H+](CC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC001208187883 769896280 /nfs/dbraw/zinc/89/62/80/769896280.db2.gz COMKIWJZIDXYBZ-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001208736032 769932145 /nfs/dbraw/zinc/93/21/45/769932145.db2.gz VWRFNMHSLFEKJY-QGZVFWFLSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209421837 770072312 /nfs/dbraw/zinc/07/23/12/770072312.db2.gz TYKJMSYDLOAKSX-OWCLPIDISA-N 2 0 250.430 2.983 20 0 CFADRP CCOC(=O)[C@@]1(C)CCCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001209844962 770142339 /nfs/dbraw/zinc/14/23/39/770142339.db2.gz HAFNAERGBDRLKS-WBVHZDCISA-N 2 0 296.455 2.574 20 0 CFADRP c1ccc2c(c1)CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000143898957 770194450 /nfs/dbraw/zinc/19/44/50/770194450.db2.gz UECAYLDMIDGWPE-FUCXHRTASA-N 2 0 256.393 2.575 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1F ZINC000382591212 770220875 /nfs/dbraw/zinc/22/08/75/770220875.db2.gz GKTSYCNURXVDHR-GFCCVEGCSA-N 2 0 250.361 2.927 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cc(Br)cs1 ZINC000082773475 770331253 /nfs/dbraw/zinc/33/12/53/770331253.db2.gz YLAYHRYOVDMGHY-UHFFFAOYSA-N 2 0 277.231 2.728 20 0 CFADRP c1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c2c([nH+]1)CCC2 ZINC001210706703 770352815 /nfs/dbraw/zinc/35/28/15/770352815.db2.gz ZCKCFZPGKNLARH-HNNXBMFYSA-N 2 0 283.419 2.936 20 0 CFADRP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc(C)c1F ZINC001143383736 770500173 /nfs/dbraw/zinc/50/01/73/770500173.db2.gz CPCDVHDRWVAUHS-UHFFFAOYSA-N 2 0 276.399 2.970 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723618128 770620534 /nfs/dbraw/zinc/62/05/34/770620534.db2.gz HRXUPCAWLQOHPX-YYIAUSFCSA-N 2 0 280.456 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723621905 770621967 /nfs/dbraw/zinc/62/19/67/770621967.db2.gz UNGOJMGZBLAKRI-YQQAZPJKSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723639109 770632371 /nfs/dbraw/zinc/63/23/71/770632371.db2.gz RDHMOZOGAUUQCL-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000723682840 770649550 /nfs/dbraw/zinc/64/95/50/770649550.db2.gz LVENEIPTCMFDMV-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000723680682 770649587 /nfs/dbraw/zinc/64/95/87/770649587.db2.gz ZMORSXBPRSRDRX-LLVKDONJSA-N 2 0 277.393 2.574 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723690976 770650497 /nfs/dbraw/zinc/65/04/97/770650497.db2.gz CVCYIQLGWVDZET-GHMZBOCLSA-N 2 0 254.324 2.697 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723695910 770651986 /nfs/dbraw/zinc/65/19/86/770651986.db2.gz QGJWXACDLFFHGV-OAHLLOKOSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000693457392 770653570 /nfs/dbraw/zinc/65/35/70/770653570.db2.gz DHBXBPPZYAFABH-DJIMGWMZSA-N 2 0 276.424 2.559 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1CC[NH3+] ZINC000723889377 770707048 /nfs/dbraw/zinc/70/70/48/770707048.db2.gz YNKBSIBLIYLJPW-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C(C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000723964983 770723193 /nfs/dbraw/zinc/72/31/93/770723193.db2.gz MOYCPZSFZRXEIX-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nc(C(C)(C)C)co2)CC1 ZINC000724380631 770857976 /nfs/dbraw/zinc/85/79/76/770857976.db2.gz HCSRGCMWZKVCMF-UHFFFAOYSA-N 2 0 279.428 2.935 20 0 CFADRP C[C@H]1CC[N@H+](CCCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000167773655 770954575 /nfs/dbraw/zinc/95/45/75/770954575.db2.gz YXFVZKVSQHNVLJ-RDJZCZTQSA-N 2 0 260.425 2.926 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(F)(C3CC3)CC2)CC[NH2+]1 ZINC000724841602 775146524 /nfs/dbraw/zinc/14/65/24/775146524.db2.gz UVRYFHKRASFBAI-QWHCGFSZSA-N 2 0 254.393 2.589 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405311548 775201795 /nfs/dbraw/zinc/20/17/95/775201795.db2.gz PCEAYGAVAUSXED-RAIGVLPGSA-N 2 0 250.411 2.539 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000405456807 775211350 /nfs/dbraw/zinc/21/13/50/775211350.db2.gz YWHDIJWHIIIUTL-BPNCWPANSA-N 2 0 264.438 2.847 20 0 CFADRP c1ccc2c(c1)CN1CC[C@H](OCCC[NH+]3CCCC3)C1=[NH+]2 ZINC001224749287 775264914 /nfs/dbraw/zinc/26/49/14/775264914.db2.gz CIUMWBQSTOZUGA-KRWDZBQOSA-N 2 0 299.418 2.807 20 0 CFADRP CCCC[NH+](CCCC)CCCOC1CN(C)C1 ZINC001224755649 775267142 /nfs/dbraw/zinc/26/71/42/775267142.db2.gz PLKOIYZCOLOWSZ-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP C[NH+](C)Cc1ccccc1N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277004025 775291034 /nfs/dbraw/zinc/29/10/34/775291034.db2.gz MOGFUVBIKMTVEJ-IYBDPMFKSA-N 2 0 287.451 2.526 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](OCCC[NH+]2CCCCC2)C1 ZINC001224861571 775293079 /nfs/dbraw/zinc/29/30/79/775293079.db2.gz XSFADZXAKAMZBP-MRXNPFEDSA-N 2 0 268.445 2.752 20 0 CFADRP C[NH+](C)Cc1ccccc1N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001277007043 775309278 /nfs/dbraw/zinc/30/92/78/775309278.db2.gz KGSNUWYEXYVYEN-UHFFFAOYSA-N 2 0 299.462 2.813 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000694012499 775338406 /nfs/dbraw/zinc/33/84/06/775338406.db2.gz SPZZZAWMGVZWKU-OAHLLOKOSA-N 2 0 275.440 2.723 20 0 CFADRP CCCC[NH+](CCCC)CCCO[C@@H]1C[NH2+][C@H]1C ZINC001217910577 775369224 /nfs/dbraw/zinc/36/92/24/775369224.db2.gz WKGXBXGTVKQONP-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000721621693 775448346 /nfs/dbraw/zinc/44/83/46/775448346.db2.gz VTNJZNAEFBGHBP-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H](Oc2ccc3c(c2)C(C)(C)C[NH2+]CC3)CC[NH2+]1 ZINC001218051052 775459210 /nfs/dbraw/zinc/45/92/10/775459210.db2.gz FOIYNJZSAVLRKA-CJNGLKHVSA-N 2 0 288.435 2.629 20 0 CFADRP C[C@H]1C[C@@H](Oc2ccc3c(c2)C(C)(C)C[NH2+]CC3)CC[NH2+]1 ZINC001218051050 775460055 /nfs/dbraw/zinc/46/00/55/775460055.db2.gz FOIYNJZSAVLRKA-BBRMVZONSA-N 2 0 288.435 2.629 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1(Cl)CC1)C[NH+]1CCCCC1 ZINC000695635887 775901530 /nfs/dbraw/zinc/90/15/30/775901530.db2.gz DGPQBTKPTCIOET-CHWSQXEVSA-N 2 0 258.837 2.858 20 0 CFADRP C([C@H]1CCCCO1)[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154853 776025987 /nfs/dbraw/zinc/02/59/87/776025987.db2.gz RRGHAUYGRGZVOV-SJORKVTESA-N 2 0 280.456 2.801 20 0 CFADRP CCCCCC[N@@H+]1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215467 776033699 /nfs/dbraw/zinc/03/36/99/776033699.db2.gz FDRQTOBCSFDMFG-OAHLLOKOSA-N 2 0 296.455 2.574 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222237787 776039386 /nfs/dbraw/zinc/03/93/86/776039386.db2.gz SZNSEAWIKYUDCP-QGZVFWFLSA-N 2 0 279.472 2.517 20 0 CFADRP Cc1ccc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]c1N ZINC001167750941 776080382 /nfs/dbraw/zinc/08/03/82/776080382.db2.gz FTWRIBLUTXCHRA-ZDUSSCGKSA-N 2 0 262.401 2.649 20 0 CFADRP CC[N@H+](CCC1CC1)Cc1cccc2c1CC[NH2+]C2 ZINC000385474329 776236848 /nfs/dbraw/zinc/23/68/48/776236848.db2.gz SISMSPBGTSUYNI-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP CCC[NH+]1C[C@H]2C[NH+](CCc3cccc(C)c3)C[C@@H]2C1 ZINC001207536048 776355962 /nfs/dbraw/zinc/35/59/62/776355962.db2.gz BWXZAJNTBULTIJ-ROUUACIJSA-N 2 0 272.436 2.811 20 0 CFADRP Clc1ccc([C@@H]2C[C@H]2CN2CCC[NH2+]CC2)cc1 ZINC001204654985 776451490 /nfs/dbraw/zinc/45/14/90/776451490.db2.gz LENNVZLRLSWCHB-ZFWWWQNUSA-N 2 0 264.800 2.739 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CC1(Cl)Cl)C2 ZINC000399348593 776526355 /nfs/dbraw/zinc/52/63/55/776526355.db2.gz KSJIXOSSFGFONF-WOPDTQHZSA-N 2 0 277.239 2.631 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001167826519 776547486 /nfs/dbraw/zinc/54/74/86/776547486.db2.gz PMSCBWWYNVCGSS-INIZCTEOSA-N 3 0 283.504 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C)(C(=O)OC)CC1 ZINC001167826194 776548098 /nfs/dbraw/zinc/54/80/98/776548098.db2.gz ONWJNCSFCAPCQD-OAHLLOKOSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](C)[C@@H]1CCCOC1 ZINC001167835632 776585576 /nfs/dbraw/zinc/58/55/76/776585576.db2.gz SCGLFOVNPAMDCU-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)n1nc(C)c(C[NH2+]C)c1C ZINC001167837443 776588780 /nfs/dbraw/zinc/58/87/80/776588780.db2.gz KLFAGHKIZMIRLF-CYBMUJFWSA-N 2 0 280.460 2.902 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC001167839481 776590986 /nfs/dbraw/zinc/59/09/86/776590986.db2.gz YAXCXGNHPJJGQN-HZPDHXFCSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)[C@H](C(=O)OC)C(C)C ZINC001167840954 776602381 /nfs/dbraw/zinc/60/23/81/776602381.db2.gz IQXVGFSJWVFVQK-CABCVRRESA-N 2 0 286.460 2.626 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001167841418 776606059 /nfs/dbraw/zinc/60/60/59/776606059.db2.gz MSVHFGZLRRMGFA-GOEBONIOSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001167842440 776612549 /nfs/dbraw/zinc/61/25/49/776612549.db2.gz XIZSRJUPNCMBFE-CVEARBPZSA-N 2 0 270.461 2.854 20 0 CFADRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc4n3CCC4)(C1)CCC2 ZINC001277328400 776623050 /nfs/dbraw/zinc/62/30/50/776623050.db2.gz FWBJTOQOZNSGGG-DLBZAZTESA-N 2 0 273.424 2.589 20 0 CFADRP CSc1ccc(F)c(C)c1NC(=[NH2+])NCCCC[NH3+] ZINC001167884092 776717376 /nfs/dbraw/zinc/71/73/76/776717376.db2.gz QCOBFTHYXNNQRO-UHFFFAOYSA-N 2 0 284.404 2.531 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167908567 776827024 /nfs/dbraw/zinc/82/70/24/776827024.db2.gz HLAYAEFUGCHVNX-MUJYYYPQSA-N 2 0 274.408 2.515 20 0 CFADRP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167911652 776832925 /nfs/dbraw/zinc/83/29/25/776832925.db2.gz CLCYRZNYRFRBIR-LLLHUVSDSA-N 2 0 258.409 2.882 20 0 CFADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229524958 776841685 /nfs/dbraw/zinc/84/16/85/776841685.db2.gz UIGKOFSMKSOPSA-HZPDHXFCSA-N 2 0 297.487 2.535 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000453228671 776854293 /nfs/dbraw/zinc/85/42/93/776854293.db2.gz UTBBCEDBBDRHOU-FJBKBRRZSA-N 2 0 278.440 2.551 20 0 CFADRP C[NH+](C)CCc1ccc(O[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001229658233 776867200 /nfs/dbraw/zinc/86/72/00/776867200.db2.gz SECJGOWCGUIQDG-MRXNPFEDSA-N 2 0 276.424 2.654 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709968689 776948241 /nfs/dbraw/zinc/94/82/41/776948241.db2.gz BJZOKQIQKVPDHN-YOEHRIQHSA-N 2 0 276.399 2.832 20 0 CFADRP c1coc(CN2C[C@H]3C[C@@H](C2)C[N@H+]([C@@H]2C[C@H]4C[C@H]4C2)C3)c1 ZINC001167938709 776986208 /nfs/dbraw/zinc/98/62/08/776986208.db2.gz GNBMVLKWKPHUJE-KFESYUHLSA-N 2 0 286.419 2.832 20 0 CFADRP C[C@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@@H](C)C1 ZINC000710014875 777002146 /nfs/dbraw/zinc/00/21/46/777002146.db2.gz LRSGNQMFCVIDFR-FXUDXRNXSA-N 2 0 250.430 2.887 20 0 CFADRP c1csc([C@@H]2CCCN2C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000710428415 777074702 /nfs/dbraw/zinc/07/47/02/777074702.db2.gz FGWHLPLNWOBGJK-HNGCFSAESA-N 2 0 263.410 2.563 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)c(O)c3)C2)CC1 ZINC001231734476 777316478 /nfs/dbraw/zinc/31/64/78/777316478.db2.gz AFNGQXMVJASIHD-UHFFFAOYSA-N 2 0 294.826 2.963 20 0 CFADRP OCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962043 777331297 /nfs/dbraw/zinc/33/12/97/777331297.db2.gz SQKYQDYYKSEVFQ-ALOPSCKCSA-N 2 0 280.456 2.534 20 0 CFADRP COC(C)(C)C[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001277584825 777376385 /nfs/dbraw/zinc/37/63/85/777376385.db2.gz RLFPSDRXXWRZOZ-IYBDPMFKSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@]1(C)O ZINC001232011683 777411183 /nfs/dbraw/zinc/41/11/83/777411183.db2.gz NYGNFPQWMDTIMD-WBMJQRKESA-N 2 0 273.380 2.546 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@]1(C)O ZINC001232011680 777411224 /nfs/dbraw/zinc/41/12/24/777411224.db2.gz NYGNFPQWMDTIMD-LRDDRELGSA-N 2 0 273.380 2.546 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC001232014326 777412645 /nfs/dbraw/zinc/41/26/45/777412645.db2.gz NRDHJGFKJXMUCV-AWEZNQCLSA-N 2 0 278.359 2.947 20 0 CFADRP FC1(F)C[C@@H]2C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232013136 777412670 /nfs/dbraw/zinc/41/26/70/777412670.db2.gz YZIAPKOHVGBGLB-PWSUYJOCSA-N 2 0 263.291 2.650 20 0 CFADRP Cc1nnc([C@H]2CCC[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)o1 ZINC001232016749 777414588 /nfs/dbraw/zinc/41/45/88/777414588.db2.gz FGKPIUJNIXRTAD-LBPRGKRZSA-N 2 0 297.362 2.634 20 0 CFADRP Cn1ccc(C2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)n1 ZINC001232017329 777414842 /nfs/dbraw/zinc/41/48/42/777414842.db2.gz PXZJYEQTLZDVRR-UHFFFAOYSA-N 2 0 295.390 2.676 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC13CCOCC3)C2 ZINC001167967845 777425944 /nfs/dbraw/zinc/42/59/44/777425944.db2.gz JNWRASGZSJOYPR-NPYXIHBLSA-N 2 0 290.451 2.551 20 0 CFADRP CSCC[N@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232148324 777451645 /nfs/dbraw/zinc/45/16/45/777451645.db2.gz BISCCWFUNMGQRX-UHFFFAOYSA-N 2 0 270.417 2.682 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC001232146626 777451770 /nfs/dbraw/zinc/45/17/70/777451770.db2.gz WBIPNPYEGGHBIR-IYBDPMFKSA-N 2 0 276.399 2.975 20 0 CFADRP C[NH+]1CCC(C2CC[NH+](Cc3ccns3)CC2)CC1 ZINC001232192003 777466435 /nfs/dbraw/zinc/46/64/35/777466435.db2.gz PCSJYTOKSNOKMP-UHFFFAOYSA-N 2 0 279.453 2.697 20 0 CFADRP CC[N@H+]1C[C@H]2CN(Cc3ccnc(C(C)(C)C)c3)C[C@H]2C1 ZINC001232219868 777479026 /nfs/dbraw/zinc/47/90/26/777479026.db2.gz VGGBYYSJGTVRHP-IYBDPMFKSA-N 2 0 287.451 2.763 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CC3(C1)CCOCC3)C2 ZINC001167994237 777527777 /nfs/dbraw/zinc/52/77/77/777527777.db2.gz ZXRKTOYJQDYIGI-SJPCQFCGSA-N 2 0 290.451 2.504 20 0 CFADRP CC(C)OCC[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277657206 777539883 /nfs/dbraw/zinc/53/98/83/777539883.db2.gz FCMDJADMVLKKGH-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H]1CC(n2ccnc2C[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168004953 777573743 /nfs/dbraw/zinc/57/37/43/777573743.db2.gz COILZPNMLDCAAT-HUUCEWRRSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@@H]1CC(n2cncc2C[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006187 777579550 /nfs/dbraw/zinc/57/95/50/777579550.db2.gz MIOPMEGIHHNNKJ-HUUCEWRRSA-N 2 0 298.434 2.956 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2CCOC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006707 777580775 /nfs/dbraw/zinc/58/07/75/777580775.db2.gz OJQURJSEMUENMG-BFYDXBDKSA-N 2 0 288.435 2.807 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc4ccoc4cn3)C2)CC1 ZINC001232554150 777601448 /nfs/dbraw/zinc/60/14/48/777601448.db2.gz MELDQGLLTOEJLI-UHFFFAOYSA-N 2 0 285.391 2.746 20 0 CFADRP COc1cccc(C)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001232621871 777621013 /nfs/dbraw/zinc/62/10/13/777621013.db2.gz KGZJTSDJRNNCIC-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP CC[C@H](O)C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012199 777625818 /nfs/dbraw/zinc/62/58/18/777625818.db2.gz XWIPWAXBKIYAEG-MPGHIAIKSA-N 2 0 290.451 2.789 20 0 CFADRP CC[NH+]1C[C@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]2C1 ZINC001232640262 777628821 /nfs/dbraw/zinc/62/88/21/777628821.db2.gz LNUAGFKKIYYZRS-ROUUACIJSA-N 2 0 284.447 2.949 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc4ncsc43)C[C@@H]2C1 ZINC001232731756 777649170 /nfs/dbraw/zinc/64/91/70/777649170.db2.gz VHRGRKKRGOJAIE-OCCSQVGLSA-N 2 0 287.432 2.680 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4ncsc43)C2)C1 ZINC001232736930 777652605 /nfs/dbraw/zinc/65/26/05/777652605.db2.gz SLSXMRACOGEKTK-MRXNPFEDSA-N 2 0 287.432 2.824 20 0 CFADRP C[N@H+](C1CC1)C1CCN(Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232869243 777699639 /nfs/dbraw/zinc/69/96/39/777699639.db2.gz PYBONZNOYICBMR-UHFFFAOYSA-N 2 0 299.418 2.932 20 0 CFADRP CC[N@H+](C)C1CCN(Cc2cccc(OCOC)c2)CC1 ZINC001233283790 777865514 /nfs/dbraw/zinc/86/55/14/777865514.db2.gz VYPLJBYQGDXPHW-UHFFFAOYSA-N 2 0 292.423 2.585 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC001168074973 777941441 /nfs/dbraw/zinc/94/14/41/777941441.db2.gz MACXFBOVLGJXAN-FZKCQIBNSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@H]([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CCO1 ZINC001168076693 777950337 /nfs/dbraw/zinc/95/03/37/777950337.db2.gz ZUVRANINAMWQSA-WCQYABFASA-N 2 0 254.418 2.534 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)c1 ZINC000697001280 777954576 /nfs/dbraw/zinc/95/45/76/777954576.db2.gz VNZIPMQGJXALDS-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)CCO1 ZINC001168083903 777981045 /nfs/dbraw/zinc/98/10/45/777981045.db2.gz NSHSEMXTIUGXQZ-NYTXWWLZSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001277796849 778020519 /nfs/dbraw/zinc/02/05/19/778020519.db2.gz KHZGKGOYWHSPIB-CVEARBPZSA-N 2 0 261.413 2.948 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168093560 778027022 /nfs/dbraw/zinc/02/70/22/778027022.db2.gz NJDYPPYJXNPVGO-DZGCQCFKSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)CCO1 ZINC001168100993 778042524 /nfs/dbraw/zinc/04/25/24/778042524.db2.gz KJKKZTLRJGTJNV-GOEBONIOSA-N 2 0 274.408 2.504 20 0 CFADRP CC[C@H](C)[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001277806823 778088453 /nfs/dbraw/zinc/08/84/53/778088453.db2.gz IWZURWDUZFHENU-AWEZNQCLSA-N 2 0 261.413 2.711 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000697177105 778111008 /nfs/dbraw/zinc/11/10/08/778111008.db2.gz JYVKPGHHMUBVRR-NWDGAFQWSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCO1 ZINC001168128011 778117572 /nfs/dbraw/zinc/11/75/72/778117572.db2.gz LMUWVPUUKVEOQG-IKGGRYGDSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@H](CN1CCC([NH+]2CCCC2)CC1)C(F)(F)F ZINC000441150859 778206573 /nfs/dbraw/zinc/20/65/73/778206573.db2.gz GVNFECKSWLELAP-LLVKDONJSA-N 2 0 264.335 2.745 20 0 CFADRP CCC(=O)C[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277851456 778215943 /nfs/dbraw/zinc/21/59/43/778215943.db2.gz IQQMFAMNLNOUOM-UHFFFAOYSA-N 2 0 278.440 2.696 20 0 CFADRP CC[N@@H+]1CCC[C@H](Oc2cccc3c2CC[NH+](C)C3)C1 ZINC001234421953 778220982 /nfs/dbraw/zinc/22/09/82/778220982.db2.gz GAICLHDUUDVNIG-HNNXBMFYSA-N 2 0 274.408 2.538 20 0 CFADRP CC1(Nc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]CC1 ZINC001168185486 778226459 /nfs/dbraw/zinc/22/64/59/778226459.db2.gz GVGNMPKSRJRBLC-UHFFFAOYSA-N 2 0 274.412 2.626 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001168230209 778259768 /nfs/dbraw/zinc/25/97/68/778259768.db2.gz JVGHWTPUNCWBOU-QGZVFWFLSA-N 2 0 288.435 2.628 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C1 ZINC000721251825 778291762 /nfs/dbraw/zinc/29/17/62/778291762.db2.gz CPSYYAAGAABDOF-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1 ZINC000721251855 778293804 /nfs/dbraw/zinc/29/38/04/778293804.db2.gz CRQURDMDGDSALP-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc2c(c1)cccc2CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235006808 778352055 /nfs/dbraw/zinc/35/20/55/778352055.db2.gz LEFSGCGHDKZZQY-WMLDXEAASA-N 2 0 252.361 2.634 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)c1)CCN2 ZINC001235037744 778361777 /nfs/dbraw/zinc/36/17/77/778361777.db2.gz HUPQICOBOVXSAE-SFHVURJKSA-N 2 0 285.435 2.763 20 0 CFADRP CCSCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001277914528 778364526 /nfs/dbraw/zinc/36/45/26/778364526.db2.gz VXYHBBXYHRMHOT-CQSZACIVSA-N 2 0 256.459 2.547 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC3(C1)CC[NH2+]CC3)CCCN2 ZINC001235093961 778378502 /nfs/dbraw/zinc/37/85/02/778378502.db2.gz UONJGBFHPMFYSS-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP COc1ccc(C)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001235133050 778395098 /nfs/dbraw/zinc/39/50/98/778395098.db2.gz MJGNGINGKQVLCY-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP c1ccc2c(c1)NCC21CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001235139013 778395813 /nfs/dbraw/zinc/39/58/13/778395813.db2.gz GUSYPAKTCLRGOR-MRXNPFEDSA-N 2 0 299.462 2.835 20 0 CFADRP Oc1cc(F)cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235157018 778398766 /nfs/dbraw/zinc/39/87/66/778398766.db2.gz PVZOCQRNRXJVTJ-KRWDZBQOSA-N 2 0 292.398 2.885 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184207 778406018 /nfs/dbraw/zinc/40/60/18/778406018.db2.gz IBNNUJVAJAURFP-MSOLQXFVSA-N 2 0 270.420 2.995 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235184878 778406055 /nfs/dbraw/zinc/40/60/55/778406055.db2.gz QOICDNXLLHOVQW-SJORKVTESA-N 2 0 258.409 2.680 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCSCc2ccco2)CC1 ZINC001168294734 778410464 /nfs/dbraw/zinc/41/04/64/778410464.db2.gz FCMZKUGIXRBJIY-UHFFFAOYSA-N 2 0 282.453 2.975 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC001168295223 778410936 /nfs/dbraw/zinc/41/09/36/778410936.db2.gz WZNQTXCOOBSTLE-OFLPRAFFSA-N 2 0 276.424 2.573 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(c3ccccn3)CC2)CC1 ZINC001168297535 778411605 /nfs/dbraw/zinc/41/16/05/778411605.db2.gz BHKVWFHESYYPPW-UHFFFAOYSA-N 2 0 259.397 2.533 20 0 CFADRP COc1c(F)ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1F ZINC001168298265 778412232 /nfs/dbraw/zinc/41/22/32/778412232.db2.gz JLIBNSDGYNHWGS-UHFFFAOYSA-N 2 0 298.377 2.936 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](CCO)c2ccc(F)cc2)CC1 ZINC001168297785 778412666 /nfs/dbraw/zinc/41/26/66/778412666.db2.gz KXTAPFYNMZOYAQ-OFLPRAFFSA-N 2 0 294.414 2.712 20 0 CFADRP C[C@@H](C[NH2+]C1CCC([NH+](C)C)CC1)c1ccc(O)cc1 ZINC001168299234 778414431 /nfs/dbraw/zinc/41/44/31/778414431.db2.gz IDISCSGJHBXISR-JEYLPNPQSA-N 2 0 276.424 2.958 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc3ncoc3c2)CC1 ZINC001168304308 778418711 /nfs/dbraw/zinc/41/87/11/778418711.db2.gz VIZJTGFPOJQIMX-UHFFFAOYSA-N 2 0 273.380 2.790 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cn(C3CCC3)cn2)CC1 ZINC001168304907 778418734 /nfs/dbraw/zinc/41/87/34/778418734.db2.gz APDVHRADCZRZDC-UHFFFAOYSA-N 2 0 276.428 2.571 20 0 CFADRP C[NH+](C)C1CCC(n2cc(CC[NH3+])c3c[nH+]ccc32)CC1 ZINC001168305916 778419992 /nfs/dbraw/zinc/41/99/92/778419992.db2.gz UIHQLZHWNRKKIO-UHFFFAOYSA-N 3 0 286.423 2.583 20 0 CFADRP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CCCCC1)C2 ZINC001235223974 778420959 /nfs/dbraw/zinc/42/09/59/778420959.db2.gz IWZMSENHOUVOON-STQMWFEESA-N 2 0 276.346 2.650 20 0 CFADRP CC(C)n1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235226822 778422113 /nfs/dbraw/zinc/42/21/13/778422113.db2.gz AFZTVCQGNVIJRS-KRWDZBQOSA-N 2 0 290.455 2.818 20 0 CFADRP Cc1ncsc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235228531 778422717 /nfs/dbraw/zinc/42/27/17/778422717.db2.gz IRZJVZMGILVUTN-AWEZNQCLSA-N 2 0 279.453 2.806 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001168314112 778425414 /nfs/dbraw/zinc/42/54/14/778425414.db2.gz JZEPSVNDAWJUJG-FXQLRMTLSA-N 2 0 250.430 2.981 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC(F)(F)[C@H](F)C2)CC1 ZINC001168314462 778425757 /nfs/dbraw/zinc/42/57/57/778425757.db2.gz LQPLWXTUESLOAC-HTAVTVPLSA-N 2 0 264.335 2.538 20 0 CFADRP CC(C)[NH+]1CC(Nc2cccc3c2C2(C=C3)CC[NH2+]CC2)C1 ZINC001168314963 778426788 /nfs/dbraw/zinc/42/67/88/778426788.db2.gz FMPXZFKDVIWUDE-UHFFFAOYSA-N 2 0 297.446 2.839 20 0 CFADRP CC(C)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(N)n1 ZINC001168315783 778426873 /nfs/dbraw/zinc/42/68/73/778426873.db2.gz OUODJMKIRYSSIF-MQBCKMQZSA-N 2 0 290.455 2.823 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001168315093 778427016 /nfs/dbraw/zinc/42/70/16/778427016.db2.gz RKSDAUAJFPQVRC-IKWCTNDRSA-N 2 0 296.352 2.939 20 0 CFADRP Cc1c2cc(F)ccc2[nH]c1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235238848 778427093 /nfs/dbraw/zinc/42/70/93/778427093.db2.gz AYQCWDVKYQZUMQ-SJKOYZFVSA-N 2 0 287.382 2.929 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001168316062 778427937 /nfs/dbraw/zinc/42/79/37/778427937.db2.gz UKMKEXQIHXEYJK-UHFFFAOYSA-N 2 0 259.397 2.529 20 0 CFADRP CC[N@H+](Cc1ccncc1)C1CCC([NH+](C)C)CC1 ZINC001168316019 778428221 /nfs/dbraw/zinc/42/82/21/778428221.db2.gz TVQZHFWNVPNMPE-UHFFFAOYSA-N 2 0 261.413 2.776 20 0 CFADRP CCCn1cnc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235242077 778429368 /nfs/dbraw/zinc/42/93/68/778429368.db2.gz QSFVGBBLIAKMMC-QGZVFWFLSA-N 2 0 290.455 2.647 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001168322522 778431696 /nfs/dbraw/zinc/43/16/96/778431696.db2.gz DKLCZYIBZSOXPD-KLAILNCOSA-N 2 0 273.424 2.744 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC001235272486 778441160 /nfs/dbraw/zinc/44/11/60/778441160.db2.gz QASKZARJBRKDMY-RDJZCZTQSA-N 2 0 281.403 2.661 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235273296 778441400 /nfs/dbraw/zinc/44/14/00/778441400.db2.gz RFTDRIXDSUUJBE-DLBZAZTESA-N 2 0 258.409 2.823 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235273301 778441631 /nfs/dbraw/zinc/44/16/31/778441631.db2.gz RFTDRIXDSUUJBE-SJORKVTESA-N 2 0 258.409 2.823 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@@H]12 ZINC001235283904 778442419 /nfs/dbraw/zinc/44/24/19/778442419.db2.gz ITYZCTKITNWODH-MIFYACCESA-N 2 0 270.401 2.804 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](CCCc3ccc(Cl)c(Cl)c3)C[C@@H]12 ZINC001235284520 778442929 /nfs/dbraw/zinc/44/29/29/778442929.db2.gz ZNVRKGAPYBRVEJ-GNXNZQSNSA-N 2 0 285.218 2.815 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c2ccccc12 ZINC001235286207 778443925 /nfs/dbraw/zinc/44/39/25/778443925.db2.gz YCJVMJDNWVYADF-BJWYYQGGSA-N 2 0 252.361 2.537 20 0 CFADRP CCOC(CCC[NH2+]C1CC[NH+](CC2CC2)CC1)OCC ZINC001168352803 778447014 /nfs/dbraw/zinc/44/70/14/778447014.db2.gz FJPUHEBDMBQNNL-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP Cc1cccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1C ZINC001235334875 778457920 /nfs/dbraw/zinc/45/79/20/778457920.db2.gz ISIIYFCSUFRYJQ-UHFFFAOYSA-N 2 0 258.409 2.735 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235337179 778459220 /nfs/dbraw/zinc/45/92/20/778459220.db2.gz GMMDRGKWHDSWBA-OAHLLOKOSA-N 2 0 250.430 2.888 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235341526 778460325 /nfs/dbraw/zinc/46/03/25/778460325.db2.gz PZCKDEYBNLODHK-MRXNPFEDSA-N 2 0 288.435 2.907 20 0 CFADRP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235341588 778460683 /nfs/dbraw/zinc/46/06/83/778460683.db2.gz QYMVTPLRCZYHKM-QGZVFWFLSA-N 2 0 272.436 2.926 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](OCC)C2)CC1 ZINC000721255868 778475403 /nfs/dbraw/zinc/47/54/03/778475403.db2.gz SVHBHVYZBSXJLH-JKSUJKDBSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(C)c1 ZINC001235400785 778476752 /nfs/dbraw/zinc/47/67/52/778476752.db2.gz FELJZWBHAUVCTL-IRXDYDNUSA-N 2 0 276.399 2.827 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1O ZINC001235431046 778487122 /nfs/dbraw/zinc/48/71/22/778487122.db2.gz UDIOOXWZPWPCOZ-DLBZAZTESA-N 2 0 288.435 2.912 20 0 CFADRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1cccnc1Cl ZINC001168362791 778513574 /nfs/dbraw/zinc/51/35/74/778513574.db2.gz JDUJDRPLRMETDP-UHFFFAOYSA-N 2 0 292.814 2.524 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+](C)C ZINC000697920697 778525780 /nfs/dbraw/zinc/52/57/80/778525780.db2.gz QWWRYRQHCGAKJQ-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CC2(C1)CC[NH+](C[C@H](C)O)CC2 ZINC001277959791 778528962 /nfs/dbraw/zinc/52/89/62/778528962.db2.gz VSWZYRGVGDPQKF-DLBZAZTESA-N 2 0 296.499 2.981 20 0 CFADRP C[N@@H+]1CCN(CC[C@@H]2CCCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC001235672780 778531351 /nfs/dbraw/zinc/53/13/51/778531351.db2.gz GRXXTFBZRUOEAD-ZWKOTPCHSA-N 2 0 287.451 2.507 20 0 CFADRP CCCC1CC[NH+](Cc2ccc3n2CC[NH2+]C3)CC1 ZINC001235673137 778531617 /nfs/dbraw/zinc/53/16/17/778531617.db2.gz LNZDWFKMSCWOGW-UHFFFAOYSA-N 2 0 261.413 2.603 20 0 CFADRP CC1(C)[NH2+]C[C@@H](CN2CCC(c3ccccc3F)CC2)O1 ZINC001235677928 778534358 /nfs/dbraw/zinc/53/43/58/778534358.db2.gz JRGLYNUGHSVYPS-AWEZNQCLSA-N 2 0 292.398 2.730 20 0 CFADRP COCC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235689095 778538368 /nfs/dbraw/zinc/53/83/68/778538368.db2.gz XMGJKTJHNXCKDA-GOSISDBHSA-N 2 0 288.435 2.723 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@H]1C ZINC001235694386 778539103 /nfs/dbraw/zinc/53/91/03/778539103.db2.gz DUBTVDZRRBKISU-CVEARBPZSA-N 2 0 287.451 2.717 20 0 CFADRP Cc1ccccc1O[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001235691614 778539428 /nfs/dbraw/zinc/53/94/28/778539428.db2.gz LCMNFEWHAVZIBJ-IRXDYDNUSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@@H]1C ZINC001235695399 778540856 /nfs/dbraw/zinc/54/08/56/778540856.db2.gz SOGBUYCIQYOMSB-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)CC1CCC1 ZINC001235725993 778547878 /nfs/dbraw/zinc/54/78/78/778547878.db2.gz LCFVQKMEHQLKGE-UHFFFAOYSA-N 2 0 283.419 2.976 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)CCCN2)C1CC[NH2+]CC1 ZINC001235759819 778553420 /nfs/dbraw/zinc/55/34/20/778553420.db2.gz AQHUREFUYHQALR-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)CC1(F)CC[NH2+]CC1 ZINC001235841185 778575921 /nfs/dbraw/zinc/57/59/21/778575921.db2.gz YQQYPDXPUPWGDF-UHFFFAOYSA-N 2 0 284.806 2.906 20 0 CFADRP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H]3CCCC[C@H]3C2)CO1 ZINC001235854041 778581141 /nfs/dbraw/zinc/58/11/41/778581141.db2.gz LTLSEAQJIWTTHY-ILXRZTDVSA-N 2 0 266.429 2.613 20 0 CFADRP Nc1ccc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC001235884357 778590619 /nfs/dbraw/zinc/59/06/19/778590619.db2.gz ZZTVSJHRDUQLIE-OAHLLOKOSA-N 2 0 295.377 2.511 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001235893418 778593687 /nfs/dbraw/zinc/59/36/87/778593687.db2.gz OZWRNOXMTRTANV-SJLPKXTDSA-N 2 0 299.462 2.861 20 0 CFADRP CCn1ccc2c1cccc2CN1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235906877 778604396 /nfs/dbraw/zinc/60/43/96/778604396.db2.gz PCYLHRINLHWMTO-ZFWWWQNUSA-N 2 0 271.408 2.973 20 0 CFADRP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235929132 778612333 /nfs/dbraw/zinc/61/23/33/778612333.db2.gz IPDSDOHJUVVBSA-ZWKOTPCHSA-N 2 0 272.436 2.894 20 0 CFADRP CC(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235928884 778612999 /nfs/dbraw/zinc/61/29/99/778612999.db2.gz DWNXEXPMJMZNRW-IAGOWNOFSA-N 2 0 258.409 2.851 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001235929346 778613534 /nfs/dbraw/zinc/61/35/34/778613534.db2.gz MKMYAWWQACGZSK-HOTGVXAUSA-N 2 0 272.436 2.896 20 0 CFADRP CC(C)(CC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC001235929347 778613896 /nfs/dbraw/zinc/61/38/96/778613896.db2.gz MKMYAWWQACGZSK-HZPDHXFCSA-N 2 0 272.436 2.896 20 0 CFADRP Clc1ccccc1CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235931014 778613933 /nfs/dbraw/zinc/61/39/33/778613933.db2.gz ZXJZLLUSORDQKY-LSDHHAIUSA-N 2 0 278.827 2.814 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2cccccc1-2 ZINC001235933967 778615416 /nfs/dbraw/zinc/61/54/16/778615416.db2.gz AQBLCEKBKDTCGB-DOTOQJQBSA-N 2 0 266.388 2.833 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235939027 778618163 /nfs/dbraw/zinc/61/81/63/778618163.db2.gz NQKLRDZLVNPDTO-RDJZCZTQSA-N 2 0 288.435 2.824 20 0 CFADRP CSc1cc(C)cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235937377 778618333 /nfs/dbraw/zinc/61/83/33/778618333.db2.gz PTHSTZIKHZJUJP-HUUCEWRRSA-N 2 0 276.449 2.758 20 0 CFADRP C[N@@H+](Cc1ccc(-n2cccc2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC001235956452 778627034 /nfs/dbraw/zinc/62/70/34/778627034.db2.gz DFCCMMANQSMOQG-QGZVFWFLSA-N 2 0 283.419 2.909 20 0 CFADRP Cc1ccnc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168368570 778628855 /nfs/dbraw/zinc/62/88/55/778628855.db2.gz LORAHXBGAWSILE-UHFFFAOYSA-N 2 0 299.462 2.886 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1 ZINC001235960524 778629804 /nfs/dbraw/zinc/62/98/04/778629804.db2.gz YQRHZKQHCLALPR-SCAQPMJSSA-N 2 0 274.408 2.563 20 0 CFADRP CC[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1 ZINC001235963135 778630878 /nfs/dbraw/zinc/63/08/78/778630878.db2.gz UWBHKRFALSYVFA-HNNXBMFYSA-N 2 0 282.815 2.540 20 0 CFADRP CCC[N@@H+](CCc1ccccn1)CC[C@@H]1CCCC[NH2+]1 ZINC001235963252 778631280 /nfs/dbraw/zinc/63/12/80/778631280.db2.gz SDXHQXZDZVZCRU-KRWDZBQOSA-N 2 0 275.440 2.868 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974625 778635194 /nfs/dbraw/zinc/63/51/94/778635194.db2.gz PUQIVTOSAGHHGP-ZBFHGGJFSA-N 2 0 270.420 2.779 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981653 778638492 /nfs/dbraw/zinc/63/84/92/778638492.db2.gz WXDOVTHLZGSQKJ-RDJZCZTQSA-N 2 0 296.455 2.703 20 0 CFADRP CCN1CCc2ccc(C[NH+]3CC4(C3)CCC[NH2+]CC4)cc21 ZINC001236005645 778650999 /nfs/dbraw/zinc/65/09/99/778650999.db2.gz MBPDPWMWGFPCRC-UHFFFAOYSA-N 2 0 299.462 2.645 20 0 CFADRP [NH3+]CCCC[NH+]1CCC2(CC1)OCc1cc(Cl)ccc12 ZINC001236066300 778679729 /nfs/dbraw/zinc/67/97/29/778679729.db2.gz GZKSUOWOTIIOMQ-UHFFFAOYSA-N 2 0 294.826 2.900 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001236124309 778703574 /nfs/dbraw/zinc/70/35/74/778703574.db2.gz KWRLPRQCPVZADU-AWEZNQCLSA-N 2 0 254.324 2.841 20 0 CFADRP CC/C=C\CCCCC[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236129058 778705607 /nfs/dbraw/zinc/70/56/07/778705607.db2.gz NWYKUDHECJQXTD-ARJAWSKDSA-N 2 0 293.499 2.883 20 0 CFADRP CCN(CC[NH2+]C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001236146092 778717154 /nfs/dbraw/zinc/71/71/54/778717154.db2.gz WDLOUOKMDXTIJX-UHFFFAOYSA-N 2 0 287.451 2.729 20 0 CFADRP CC1(C)C[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC(C)(C)O1 ZINC001236152997 778719588 /nfs/dbraw/zinc/71/95/88/778719588.db2.gz GSCXOPRDFHBAGV-UHFFFAOYSA-N 2 0 288.435 2.722 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)cn1 ZINC001236155538 778720516 /nfs/dbraw/zinc/72/05/16/778720516.db2.gz CJWNFVWXNBKMKN-QGZVFWFLSA-N 2 0 298.434 2.579 20 0 CFADRP CCC1([NH3+])CN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001236186779 778730928 /nfs/dbraw/zinc/73/09/28/778730928.db2.gz SPLZFICIHZCOCZ-UHFFFAOYSA-N 2 0 285.435 2.611 20 0 CFADRP CC(C)CC[NH+](CCC(C)C)Cc1c[nH+]c(N)[nH]1 ZINC001236307072 778769479 /nfs/dbraw/zinc/76/94/79/778769479.db2.gz IXKBGJHPZPFYRX-UHFFFAOYSA-N 2 0 252.406 2.886 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(C)c1 ZINC001236314453 778773890 /nfs/dbraw/zinc/77/38/90/778773890.db2.gz NEIUYFQFNFVNKX-CALCHBBNSA-N 2 0 258.409 2.735 20 0 CFADRP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319776 778777786 /nfs/dbraw/zinc/77/77/86/778777786.db2.gz FTMSMGDAZOGUSE-GASCZTMLSA-N 2 0 262.372 2.566 20 0 CFADRP CCOc1ccc(C)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320181 778778108 /nfs/dbraw/zinc/77/81/08/778778108.db2.gz KTOKOPJFSQOQPW-IYBDPMFKSA-N 2 0 288.435 2.825 20 0 CFADRP COC(C)(C)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392565 778779856 /nfs/dbraw/zinc/77/98/56/778779856.db2.gz QJRCXDBVNLMUBT-INIZCTEOSA-N 2 0 280.456 2.750 20 0 CFADRP c1cc2c(c(-c3ccc4c(c3)C[NH2+]CC4)c1)CC[NH2+]C2 ZINC001236349125 778789175 /nfs/dbraw/zinc/78/91/75/778789175.db2.gz UOVPWVOWFMTVLV-UHFFFAOYSA-N 2 0 264.372 2.645 20 0 CFADRP CN1CCC[C@H](C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369822 778794093 /nfs/dbraw/zinc/79/40/93/778794093.db2.gz DIWYNBHGHZOZCP-SJORKVTESA-N 2 0 293.499 2.572 20 0 CFADRP C(CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1)[C@H]1CCCC[NH2+]1 ZINC001236369733 778794621 /nfs/dbraw/zinc/79/46/21/778794621.db2.gz CGBDTANQEHWWJI-IAGOWNOFSA-N 2 0 293.499 2.763 20 0 CFADRP CC[N@@H+](Cc1cccc2c1CCC2)C[C@@H]1CC[NH2+]C1 ZINC001236411012 778806440 /nfs/dbraw/zinc/80/64/40/778806440.db2.gz LOQFALFCTOUUGJ-CQSZACIVSA-N 2 0 258.409 2.607 20 0 CFADRP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)CCCC[NH3+] ZINC001236423650 778818165 /nfs/dbraw/zinc/81/81/65/778818165.db2.gz OSTBWAGRBDMUOD-OAHLLOKOSA-N 2 0 262.397 2.709 20 0 CFADRP C[NH+](C)Cc1cccc(-c2c[nH+]ccc2N2CCOCC2)c1 ZINC001236423473 778818610 /nfs/dbraw/zinc/81/86/10/778818610.db2.gz RIWSOLSMZYGKCD-UHFFFAOYSA-N 2 0 297.402 2.647 20 0 CFADRP C[NH2+]Cc1cc(-c2ccc(C[NH2+]CC(C)C)cc2)ncn1 ZINC001236428557 778824012 /nfs/dbraw/zinc/82/40/12/778824012.db2.gz PXURFAAAALVQNS-UHFFFAOYSA-N 2 0 284.407 2.609 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001236434418 778827807 /nfs/dbraw/zinc/82/78/07/778827807.db2.gz QYDSXPIUVAEIHV-INIZCTEOSA-N 2 0 268.445 2.787 20 0 CFADRP [NH3+]C[C@]1(F)CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC001236435185 778828324 /nfs/dbraw/zinc/82/83/24/778828324.db2.gz TVCRDWNDJVFKRC-RXXRUYGPSA-N 2 0 280.431 2.966 20 0 CFADRP CC(C)(C)C[N@H+](Cc1cccc(N)c1)C1CC[NH2+]CC1 ZINC001236456631 778834486 /nfs/dbraw/zinc/83/44/86/778834486.db2.gz AUIPYODXYQFYAW-UHFFFAOYSA-N 2 0 275.440 2.869 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168408374 778859737 /nfs/dbraw/zinc/85/97/37/778859737.db2.gz WFXHALNINNGFSZ-INIZCTEOSA-N 2 0 278.415 2.860 20 0 CFADRP Nc1nc(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC001236542994 778872260 /nfs/dbraw/zinc/87/22/60/778872260.db2.gz YOIUOCCXSZCWTG-MQMHXKEQSA-N 2 0 294.468 2.597 20 0 CFADRP Nc1ccc(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC001236570730 778878688 /nfs/dbraw/zinc/87/86/88/778878688.db2.gz AFWQJVMPZLABQI-KOMQPUFPSA-N 2 0 288.439 2.678 20 0 CFADRP N[C@H](C[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236572017 778879503 /nfs/dbraw/zinc/87/95/03/778879503.db2.gz KWECSEZXRHSJHJ-KBAYOESNSA-N 2 0 287.451 2.811 20 0 CFADRP Nc1cccc(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236571950 778880218 /nfs/dbraw/zinc/88/02/18/778880218.db2.gz NSMRQDCJDORABU-SAZUREKKSA-N 2 0 288.439 2.678 20 0 CFADRP Fc1ccc(CC[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1F ZINC001236584516 778886409 /nfs/dbraw/zinc/88/64/09/778886409.db2.gz GMYGTDJWYKIKOM-AWEZNQCLSA-N 2 0 294.389 2.971 20 0 CFADRP Cc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC001236604288 778890663 /nfs/dbraw/zinc/89/06/63/778890663.db2.gz GCAZQPHSKBGQNM-OAHLLOKOSA-N 2 0 258.409 2.743 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc3occc31)CC2 ZINC001236739578 778926510 /nfs/dbraw/zinc/92/65/10/778926510.db2.gz NLYKHDOKZFBNHO-UHFFFAOYSA-N 2 0 270.376 2.960 20 0 CFADRP CC[N@@H+](Cc1cccc(OC)c1)CC1CC[NH2+]CC1 ZINC000094011193 778940098 /nfs/dbraw/zinc/94/00/98/778940098.db2.gz WUUYZOYHAHRTQA-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cccc(Cl)c34)C[C@@H]12 ZINC001236817274 778952231 /nfs/dbraw/zinc/95/22/31/778952231.db2.gz AUAUNUDPZGGUSA-MPKXVKKWSA-N 2 0 289.810 2.990 20 0 CFADRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c(F)cc1F ZINC001236825022 778954627 /nfs/dbraw/zinc/95/46/27/778954627.db2.gz VJPKZTKNKHNLBG-UHFFFAOYSA-N 2 0 298.377 2.747 20 0 CFADRP CCCN(CCC[NH2+]C1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC001236828285 778956864 /nfs/dbraw/zinc/95/68/64/778956864.db2.gz HVIDGJKFZDKFGZ-MRXNPFEDSA-N 2 0 281.488 2.620 20 0 CFADRP CCC[N@@H+](Cc1cc(F)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC001236836893 778960874 /nfs/dbraw/zinc/96/08/74/778960874.db2.gz ZBDGCSPPTCANMR-CQSZACIVSA-N 2 0 264.388 2.956 20 0 CFADRP CCC[N@@H+](Cc1ccc(NC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236842268 778962589 /nfs/dbraw/zinc/96/25/89/778962589.db2.gz DISUWZVIIPNPGN-HNNXBMFYSA-N 2 0 261.413 2.550 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947289 778983888 /nfs/dbraw/zinc/98/38/88/778983888.db2.gz JEUIJTXTHVWJQJ-CZUORRHYSA-N 2 0 250.430 2.744 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001237058364 779002397 /nfs/dbraw/zinc/00/23/97/779002397.db2.gz ZZJHSKLGQCPIOU-CQSZACIVSA-N 2 0 254.324 2.841 20 0 CFADRP C[NH+](C)CC1(CN(C2CCC2)[C@H]2CCC[NH2+]C2)CCCC1 ZINC001237144139 779025290 /nfs/dbraw/zinc/02/52/90/779025290.db2.gz JOMSHRVHCFTNTL-KRWDZBQOSA-N 2 0 293.499 2.715 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CC[C@]2(C1)CNCCO2 ZINC001237142022 779025700 /nfs/dbraw/zinc/02/57/00/779025700.db2.gz KZHSVXMKBHNPFO-MJSXRHKHSA-N 2 0 266.429 2.577 20 0 CFADRP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(N)c2)CC1 ZINC001237222537 779052488 /nfs/dbraw/zinc/05/24/88/779052488.db2.gz DTWGHQURHVUWQE-UHFFFAOYSA-N 2 0 275.440 2.965 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@H]2Nc3ccc(Cl)cc3[C@H]2C1 ZINC001237232063 779056468 /nfs/dbraw/zinc/05/64/68/779056468.db2.gz HZPABPADIMFLHB-UKRRQHHQSA-N 2 0 279.815 2.662 20 0 CFADRP [NH3+]CCCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001237246751 779060053 /nfs/dbraw/zinc/06/00/53/779060053.db2.gz CWUHJRWHUXUZPH-MRXNPFEDSA-N 2 0 264.388 2.962 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001237325823 779076877 /nfs/dbraw/zinc/07/68/77/779076877.db2.gz ZRXCCKIRXPQPJZ-SJORKVTESA-N 2 0 272.436 2.941 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237381889 779087088 /nfs/dbraw/zinc/08/70/88/779087088.db2.gz KMPBZIAEGZXPRA-OLZOCXBDSA-N 2 0 250.411 2.630 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237382169 779088317 /nfs/dbraw/zinc/08/83/17/779088317.db2.gz LZDZSFGRISHFOX-SJORKVTESA-N 2 0 288.435 2.702 20 0 CFADRP Fc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237384410 779088790 /nfs/dbraw/zinc/08/87/90/779088790.db2.gz WKQMULAKXRNRMX-NVXWUHKLSA-N 2 0 276.399 2.832 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237385055 779090026 /nfs/dbraw/zinc/09/00/26/779090026.db2.gz ZRDGRQZCVXJCHG-WMZOPIPTSA-N 2 0 288.435 2.702 20 0 CFADRP Cn1ccc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)ccc21 ZINC001237393879 779095094 /nfs/dbraw/zinc/09/50/94/779095094.db2.gz UEEKIFGEUUDXJS-IAGOWNOFSA-N 2 0 283.419 2.752 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2cccnc12 ZINC001237411260 779101276 /nfs/dbraw/zinc/10/12/76/779101276.db2.gz FBDRQTYAIACHDB-ZBFHGGJFSA-N 2 0 297.402 2.514 20 0 CFADRP Fc1cc2cc[nH]c2c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237413669 779102436 /nfs/dbraw/zinc/10/24/36/779102436.db2.gz KMPHPJRDAAJZSG-CZUORRHYSA-N 2 0 287.382 2.881 20 0 CFADRP c1cc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c2)n[nH]1 ZINC001237418282 779104087 /nfs/dbraw/zinc/10/40/87/779104087.db2.gz XRCOJXUHXXRYKO-IAGOWNOFSA-N 2 0 296.418 2.651 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)C2)C1 ZINC001168446032 779150678 /nfs/dbraw/zinc/15/06/78/779150678.db2.gz OABBNFJBEVPKPT-MSOLQXFVSA-N 2 0 288.410 2.711 20 0 CFADRP Cc1nc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)ccc1F ZINC001237823490 779189348 /nfs/dbraw/zinc/18/93/48/779189348.db2.gz IXXQKAZVQHEVQA-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)CC1 ZINC001205101221 779207556 /nfs/dbraw/zinc/20/75/56/779207556.db2.gz BREPKZKEFHUVPW-KRWDZBQOSA-N 2 0 287.451 2.990 20 0 CFADRP Cc1sccc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001237969339 779218413 /nfs/dbraw/zinc/21/84/13/779218413.db2.gz UZNWXAACNKHKBH-UHFFFAOYSA-N 2 0 264.438 2.974 20 0 CFADRP CC[NH+](CC)CCN1CC[NH+](Cc2ccsc2C)CC1 ZINC001237965452 779218806 /nfs/dbraw/zinc/21/88/06/779218806.db2.gz YUSGCQSGMAYGMK-UHFFFAOYSA-N 2 0 295.496 2.516 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)ccc2n1 ZINC001205110126 779233844 /nfs/dbraw/zinc/23/38/44/779233844.db2.gz PENHTOYTFNYPLY-MRXNPFEDSA-N 2 0 269.392 2.856 20 0 CFADRP C[N@@H+](Cc1ccc(F)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699299261 779238291 /nfs/dbraw/zinc/23/82/91/779238291.db2.gz GAPUBVJKWDGUII-VHRNVKJDSA-N 2 0 262.372 2.788 20 0 CFADRP c1ccc2c(c1)CCC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000699311151 779241996 /nfs/dbraw/zinc/24/19/96/779241996.db2.gz JPIPMRPWRSDRDG-DODVFSASSA-N 2 0 270.420 2.965 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117519 779260741 /nfs/dbraw/zinc/26/07/41/779260741.db2.gz QAAXCFLXNMTGOI-CYBMUJFWSA-N 2 0 250.411 2.722 20 0 CFADRP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117848 779261567 /nfs/dbraw/zinc/26/15/67/779261567.db2.gz WYHQOJNPIIFKDD-CQSZACIVSA-N 2 0 252.789 2.962 20 0 CFADRP CC[N@H+](Cc1cncc(C2CC2)c1)C1CCN(C)CC1 ZINC001238185845 779272701 /nfs/dbraw/zinc/27/27/01/779272701.db2.gz RCSCYGNTIWYTGC-UHFFFAOYSA-N 2 0 273.424 2.875 20 0 CFADRP Cc1c(Cl)ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC001238217510 779283354 /nfs/dbraw/zinc/28/33/54/779283354.db2.gz AZQCBLQWSYCESF-GASCZTMLSA-N 2 0 278.827 2.950 20 0 CFADRP Cc1cc(CN2CCC[C@@H]([NH3+])CC2)c(Cl)nc1C ZINC001205130606 779284945 /nfs/dbraw/zinc/28/49/45/779284945.db2.gz KMDJZCZCQHTQOK-CYBMUJFWSA-N 2 0 267.804 2.665 20 0 CFADRP Cc1cccc2c(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)c[nH]c21 ZINC001205136066 779303878 /nfs/dbraw/zinc/30/38/78/779303878.db2.gz JVQSOELCDKBOBB-QWHCGFSZSA-N 2 0 257.381 2.503 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001168494346 779339043 /nfs/dbraw/zinc/33/90/43/779339043.db2.gz BHDXXMYZPOEYJF-CQSZACIVSA-N 2 0 276.399 2.784 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(-n3cccc3)cc2)C[C@H]1C[NH3+] ZINC001205145771 779345695 /nfs/dbraw/zinc/34/56/95/779345695.db2.gz GEPDSMAIBYFTOS-GOEBONIOSA-N 2 0 269.392 2.504 20 0 CFADRP CSc1ncc(C)cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001238718853 779375710 /nfs/dbraw/zinc/37/57/10/779375710.db2.gz SSAOYGVMQCJUEB-INIZCTEOSA-N 2 0 291.464 2.640 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(C3=CCC[NH2+]CC3)c2)CC1 ZINC001238945129 779423273 /nfs/dbraw/zinc/42/32/73/779423273.db2.gz HUFUFMMCBHUTNO-UHFFFAOYSA-N 3 0 299.462 2.624 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc3c(c2)CC[NH2+]C3)cn1 ZINC001239209273 779472306 /nfs/dbraw/zinc/47/23/06/779472306.db2.gz RPVNXUZJANPWRU-UHFFFAOYSA-N 2 0 298.434 2.538 20 0 CFADRP Cc1cccc(C)c1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239598578 779650825 /nfs/dbraw/zinc/65/08/25/779650825.db2.gz WANDNDCAAAQZMX-UHFFFAOYSA-N 2 0 267.376 2.775 20 0 CFADRP CCOC(=O)CCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237379860 779682695 /nfs/dbraw/zinc/68/26/95/779682695.db2.gz DLIVKESPVQWJCJ-HZPDHXFCSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ncc1Cl ZINC001278300951 779698886 /nfs/dbraw/zinc/69/88/86/779698886.db2.gz OYEVMBPDPSADPJ-OKILXGFUSA-N 2 0 293.842 2.817 20 0 CFADRP COc1ccc(-c2cncc(C[NH3+])c2)cc1C[NH+]1CCCC1 ZINC001239809469 779791011 /nfs/dbraw/zinc/79/10/11/779791011.db2.gz SUDGDOTYASXVRE-UHFFFAOYSA-N 2 0 297.402 2.812 20 0 CFADRP C[NH+](C)CCc1c[nH]c2ccc(-c3cncc(C[NH3+])c3)cc12 ZINC001239808769 779791243 /nfs/dbraw/zinc/79/12/43/779791243.db2.gz IYXVXZPSSSGKOD-UHFFFAOYSA-N 2 0 294.402 2.793 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000715509763 780009079 /nfs/dbraw/zinc/00/90/79/780009079.db2.gz GAUHBNYYTMMYKS-UHFFFAOYSA-N 3 0 281.488 2.569 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000715543383 780142278 /nfs/dbraw/zinc/14/22/78/780142278.db2.gz MUYYHVKBYXDJIE-JJXSEGSLSA-N 2 0 268.445 2.652 20 0 CFADRP c1cc(-c2ccc3c(c2)CC[NH2+]C3)cc2c1C[NH2+]C2 ZINC001240455945 780176996 /nfs/dbraw/zinc/17/69/96/780176996.db2.gz QKDAUQFJLLOPCD-UHFFFAOYSA-N 2 0 250.345 2.603 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001116501574 780177810 /nfs/dbraw/zinc/17/78/10/780177810.db2.gz HTSRPDQSLCAWLM-OAHLLOKOSA-N 2 0 264.388 2.642 20 0 CFADRP [NH3+]CCc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001240458690 780180618 /nfs/dbraw/zinc/18/06/18/780180618.db2.gz PMESJENFZVFHSG-UHFFFAOYSA-N 2 0 252.361 2.501 20 0 CFADRP C[NH2+]Cc1ccccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240458505 780180744 /nfs/dbraw/zinc/18/07/44/780180744.db2.gz KINFODHVRNENEU-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP [NH3+][C@H]1CCCC[C@@H]1OCc1ccccc1C1=CC[NH2+]CC1 ZINC001240470530 780187551 /nfs/dbraw/zinc/18/75/51/780187551.db2.gz PUTCHCLWEPMYCG-ROUUACIJSA-N 2 0 286.419 2.850 20 0 CFADRP c1cc(C2=CCC[NH2+]C2)ccc1SC1CC[NH2+]CC1 ZINC001240670898 780343781 /nfs/dbraw/zinc/34/37/81/780343781.db2.gz OISLQEUBKNXBKT-UHFFFAOYSA-N 2 0 274.433 2.907 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168705977 780442588 /nfs/dbraw/zinc/44/25/88/780442588.db2.gz YFOIOQLUQCRQKY-AVGNSLFASA-N 2 0 264.800 2.667 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3ccc4c[nH+]cn4c3)cc2)CC1 ZINC001240852007 780477761 /nfs/dbraw/zinc/47/77/61/780477761.db2.gz IOMHRTBATQBXNR-UHFFFAOYSA-N 2 0 292.386 2.753 20 0 CFADRP C[NH+](C)CCCCNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001161731167 780490559 /nfs/dbraw/zinc/49/05/59/780490559.db2.gz SNGZQAJDPYPGRM-INIZCTEOSA-N 2 0 261.413 2.865 20 0 CFADRP Cc1ccc(CN2CCOCC2)cc1C=C1CC[NH2+]CC1 ZINC001240879297 780497181 /nfs/dbraw/zinc/49/71/81/780497181.db2.gz OJGUIOGIYMOEQF-UHFFFAOYSA-N 2 0 286.419 2.594 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000700583944 780700368 /nfs/dbraw/zinc/70/03/68/780700368.db2.gz NDMIWRHPDZQMQP-HUUCEWRRSA-N 2 0 278.440 2.946 20 0 CFADRP C[N@@H+]1CC[C@@H](c2ccc(C3=CC[NH+](C)CC3)cc2)C1 ZINC001241332086 780785765 /nfs/dbraw/zinc/78/57/65/780785765.db2.gz GWJGOWUDFABWCZ-QGZVFWFLSA-N 2 0 256.393 2.825 20 0 CFADRP CCc1nnc(C[NH2+][C@@H](C)CCC[NH+](CC)CC)s1 ZINC000702706035 780944591 /nfs/dbraw/zinc/94/45/91/780944591.db2.gz BDFSSCMOPCNAIF-LBPRGKRZSA-N 2 0 284.473 2.701 20 0 CFADRP [NH3+]Cc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001241504131 780947054 /nfs/dbraw/zinc/94/70/54/780947054.db2.gz OGHKVKJPFUNEIQ-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP C[N@@H+]1CCC=C(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001241570882 780988108 /nfs/dbraw/zinc/98/81/08/780988108.db2.gz PPFZPLRROTVGJW-UHFFFAOYSA-N 3 0 299.462 2.576 20 0 CFADRP C[N@@H+]1CCC=C(c2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001241571156 780988543 /nfs/dbraw/zinc/98/85/43/780988543.db2.gz UVQCJGYEFCEKLA-UHFFFAOYSA-N 2 0 286.419 2.880 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2nccc(C3C[NH2+]C3)n2)cc1 ZINC001241579297 780994994 /nfs/dbraw/zinc/99/49/94/780994994.db2.gz VICQXQBALOOYAY-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP C[C@@H](c1ccncc1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703865307 781070587 /nfs/dbraw/zinc/07/05/87/781070587.db2.gz GPJNOJDMKKFIRN-WYQXTGKHSA-N 2 0 259.397 2.605 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000703871084 781072195 /nfs/dbraw/zinc/07/21/95/781072195.db2.gz ARKHNIOXQYWVPC-OAHLLOKOSA-N 2 0 279.815 2.699 20 0 CFADRP CC[NH+]1CCN(c2ccc(-c3cccc(C[NH3+])c3)cc2)CC1 ZINC001241742687 781104955 /nfs/dbraw/zinc/10/49/55/781104955.db2.gz AJSCOADRJOEUJL-UHFFFAOYSA-N 2 0 295.430 2.954 20 0 CFADRP c1nn(C2CC[NH2+]CC2)cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001241776700 781124541 /nfs/dbraw/zinc/12/45/41/781124541.db2.gz USPOIINWPQRTBO-GOSISDBHSA-N 2 0 296.418 2.899 20 0 CFADRP C[N@H+](Cc1ccc(-c2ccc(C[NH3+])cc2)nc1)C1CC1 ZINC001241910609 781176082 /nfs/dbraw/zinc/17/60/82/781176082.db2.gz AIADWWPZDHCHCL-UHFFFAOYSA-N 2 0 267.376 2.802 20 0 CFADRP CSC1CC([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1 ZINC000706817727 781204052 /nfs/dbraw/zinc/20/40/52/781204052.db2.gz HQVRATUXAAKMKI-HSBZDZAISA-N 2 0 256.459 2.592 20 0 CFADRP c1ccc(-c2cccc3c2C[NH2+]C3)c(CN2CCOCC2)c1 ZINC001241996060 781223397 /nfs/dbraw/zinc/22/33/97/781223397.db2.gz VANBZGVFMLUJLL-UHFFFAOYSA-N 2 0 294.398 2.789 20 0 CFADRP CC(C)[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000707260201 781240835 /nfs/dbraw/zinc/24/08/35/781240835.db2.gz KKHXAMKQEFPRBS-WTXIUTQJSA-N 2 0 282.497 2.981 20 0 CFADRP C[C@H](c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)N1CC[NH2+]CC1 ZINC001242028054 781241058 /nfs/dbraw/zinc/24/10/58/781241058.db2.gz YXWXHZZCHXLJQQ-ZMYBRWDISA-N 2 0 297.446 2.561 20 0 CFADRP C[N@@H+]1CCc2c(F)cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2C1 ZINC001242028008 781241570 /nfs/dbraw/zinc/24/15/70/781241570.db2.gz WRFQHIKJRKBINE-CABCVRRESA-N 2 0 272.367 2.721 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCS1 ZINC000707284318 781243239 /nfs/dbraw/zinc/24/32/39/781243239.db2.gz NADZETGKSKPRCX-JALIKCBVSA-N 2 0 268.470 2.590 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)C1CC[NH+](C)CC1 ZINC000709693955 781300392 /nfs/dbraw/zinc/30/03/92/781300392.db2.gz CAFAIWJKFLRUTA-ZFWWWQNUSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCc3ccccc3C1)[NH2+]2 ZINC000709388420 781310424 /nfs/dbraw/zinc/31/04/24/781310424.db2.gz PPMZBRCRSOFAID-CUWKQTPXSA-N 2 0 270.420 2.663 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)CC[NH2+]1 ZINC000709500634 781312178 /nfs/dbraw/zinc/31/21/78/781312178.db2.gz MKFLPJBQEDBOPF-IJLUTSLNSA-N 2 0 264.335 2.649 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709637185 781317230 /nfs/dbraw/zinc/31/72/30/781317230.db2.gz CEVOVFHHKQTAIU-PSEXLTFBSA-N 2 0 276.346 2.791 20 0 CFADRP C[C@@H](C[NH+]1CCC(O)(C[NH+](C)C)CC1)C1CCCCC1 ZINC000710560763 781317728 /nfs/dbraw/zinc/31/77/28/781317728.db2.gz GSHPHRZOKUSUCL-HNNXBMFYSA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000710004375 781325347 /nfs/dbraw/zinc/32/53/47/781325347.db2.gz AQBUXFBNCIDWSC-UONOGXRCSA-N 2 0 266.433 2.581 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1cccc(Cl)c1 ZINC000710705025 781334925 /nfs/dbraw/zinc/33/49/25/781334925.db2.gz GWKMMMOSYSYXMK-UHFFFAOYSA-N 2 0 297.830 2.729 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)OC1 ZINC000711338446 781413544 /nfs/dbraw/zinc/41/35/44/781413544.db2.gz BJAGFNYCEDEZID-KCXAZCMYSA-N 2 0 274.408 2.926 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711839905 781478654 /nfs/dbraw/zinc/47/86/54/781478654.db2.gz MGSQOIAHXCVNQK-DOTOQJQBSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1oncc1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001242603421 781633721 /nfs/dbraw/zinc/63/37/21/781633721.db2.gz ZJJQJYHDDZZORN-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP [NH3+][C@H]1CCc2ccc(-c3ccc4c(c3)C[NH2+]C4)cc21 ZINC001242677580 781693803 /nfs/dbraw/zinc/69/38/03/781693803.db2.gz JJPXWPOOUSBCEG-KRWDZBQOSA-N 2 0 250.345 2.903 20 0 CFADRP [NH3+]Cc1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC001242692170 781698951 /nfs/dbraw/zinc/69/89/51/781698951.db2.gz HKTZBGVQORSLGG-MRXNPFEDSA-N 2 0 257.381 2.572 20 0 CFADRP COC1(C[NH2+]CCC[N@H+](C)C2CCCCC2)CCC1 ZINC001119238994 781751889 /nfs/dbraw/zinc/75/18/89/781751889.db2.gz FLLYSRXUIWQHAC-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC001119988092 781884193 /nfs/dbraw/zinc/88/41/93/781884193.db2.gz FLFZJQKOXYZWFM-MROQNXINSA-N 2 0 291.266 2.842 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc3[nH+]c(N)[nH]c3c2)cc1 ZINC001242992581 781905742 /nfs/dbraw/zinc/90/57/42/781905742.db2.gz QIOCQNWPPSMQQH-UHFFFAOYSA-N 2 0 252.321 2.532 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000594510676 349435657 /nfs/dbraw/zinc/43/56/57/349435657.db2.gz ANTVETVMHDFBPL-HNNXBMFYSA-N 2 0 298.471 2.674 20 0 CFADRP CC[C@@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+](C)C ZINC000124746746 187151905 /nfs/dbraw/zinc/15/19/05/187151905.db2.gz GZRUMMTYWDDIMB-INIZCTEOSA-N 2 0 291.439 2.807 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000125045391 187167265 /nfs/dbraw/zinc/16/72/65/187167265.db2.gz WBZSOHYTFDKPLV-RRFJBIMHSA-N 2 0 292.423 2.535 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261632227 282125671 /nfs/dbraw/zinc/12/56/71/282125671.db2.gz CGAXTFFWBJKAND-ARFHVFGLSA-N 2 0 282.472 2.686 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000595011505 349548300 /nfs/dbraw/zinc/54/83/00/349548300.db2.gz FSZGVKZWZMNDKR-GJZGRUSLSA-N 2 0 298.471 2.676 20 0 CFADRP C[C@H](CSCCF)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000595010397 349548554 /nfs/dbraw/zinc/54/85/54/349548554.db2.gz BTWVCDDUHDDKAP-UONOGXRCSA-N 2 0 276.465 2.789 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000595013078 349548880 /nfs/dbraw/zinc/54/88/80/349548880.db2.gz HACDHLZLAZIJRQ-CQSZACIVSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H](CSCCF)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000595003836 349543865 /nfs/dbraw/zinc/54/38/65/349543865.db2.gz LEGRCLFHCJUZOB-ZIAGYGMSSA-N 2 0 276.465 2.932 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000595098175 349581582 /nfs/dbraw/zinc/58/15/82/349581582.db2.gz BOFQIYWMOILDCO-ZIAGYGMSSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000248818349 282135461 /nfs/dbraw/zinc/13/54/61/282135461.db2.gz IUXQDLKBACOSSC-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCC(CC)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378375527 282163592 /nfs/dbraw/zinc/16/35/92/282163592.db2.gz YOWLDMNXNMZICB-BZUAXINKSA-N 2 0 268.445 2.606 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000125637050 187193770 /nfs/dbraw/zinc/19/37/70/187193770.db2.gz SEZLXJIRGCFCHO-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828662 529424764 /nfs/dbraw/zinc/42/47/64/529424764.db2.gz JEXCHXQUWCFYOT-DLBZAZTESA-N 2 0 260.425 2.905 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601851 290645958 /nfs/dbraw/zinc/64/59/58/290645958.db2.gz RMMVAXGSMCRSJN-GUYCJALGSA-N 2 0 294.414 2.617 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000125758497 187198854 /nfs/dbraw/zinc/19/88/54/187198854.db2.gz ZQTPDVFBLFATLM-RHSMWYFYSA-N 2 0 276.424 2.857 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000435882708 290648001 /nfs/dbraw/zinc/64/80/01/290648001.db2.gz UXBXPJYZZDUGBR-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](CCC[NH3+])COC)c1ccccc1 ZINC000422709751 529495365 /nfs/dbraw/zinc/49/53/65/529495365.db2.gz DXISLJFHIBKYPN-HOCLYGCPSA-N 2 0 264.413 2.524 20 0 CFADRP [NH3+]CCC1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000070188324 346908044 /nfs/dbraw/zinc/90/80/44/346908044.db2.gz ICPCQQFCTAXXAZ-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414858228 290655161 /nfs/dbraw/zinc/65/51/61/290655161.db2.gz IFNHIUNBZMTHEG-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423335341 529593483 /nfs/dbraw/zinc/59/34/83/529593483.db2.gz GEIJMSHBWYSSGC-HNNXBMFYSA-N 2 0 266.335 2.925 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C ZINC000414071963 529584751 /nfs/dbraw/zinc/58/47/51/529584751.db2.gz MGZOSEJDOKIBIC-WQVCFCJDSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH3+])c1cc(C)ccc1OC ZINC000423329970 529596006 /nfs/dbraw/zinc/59/60/06/529596006.db2.gz PEGLIMPJDSRWTG-AWEZNQCLSA-N 2 0 250.386 2.783 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000178416779 529596909 /nfs/dbraw/zinc/59/69/09/529596909.db2.gz YTQJFGICZAIONZ-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422881522 529611723 /nfs/dbraw/zinc/61/17/23/529611723.db2.gz YURJXIGRGRIVPU-BGTYHANMSA-N 2 0 290.451 2.661 20 0 CFADRP CC[C@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422775795 529600814 /nfs/dbraw/zinc/60/08/14/529600814.db2.gz CJJAAOHMVGNIMR-GJZGRUSLSA-N 2 0 286.423 2.547 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423173748 529614004 /nfs/dbraw/zinc/61/40/04/529614004.db2.gz ZYVFJHCWCIXGOJ-FZKCQIBNSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423220608 529614267 /nfs/dbraw/zinc/61/42/67/529614267.db2.gz YKNVMLLYWCDLGO-DOMZBBRYSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422706521 529619721 /nfs/dbraw/zinc/61/97/21/529619721.db2.gz FEJYRUBRAKRVHU-YESZJQIVSA-N 2 0 293.430 2.549 20 0 CFADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414163039 529633544 /nfs/dbraw/zinc/63/35/44/529633544.db2.gz MTVWVFFYOPMVMK-BMFZPTHFSA-N 2 0 291.439 2.546 20 0 CFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000422948350 529638391 /nfs/dbraw/zinc/63/83/91/529638391.db2.gz REZABVASMASXSJ-KBPBESRZSA-N 2 0 291.439 2.888 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1=CCCCC1 ZINC000450598259 282225606 /nfs/dbraw/zinc/22/56/06/282225606.db2.gz JJLLXZMFUCUFQB-IKGGRYGDSA-N 2 0 278.440 2.670 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423047365 282244790 /nfs/dbraw/zinc/24/47/90/282244790.db2.gz VBNOALJNEFOLDP-BVUBDWEXSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126739152 187259299 /nfs/dbraw/zinc/25/92/99/187259299.db2.gz JJGRHILHZYKCOT-LNRIEFBSSA-N 2 0 288.435 2.928 20 0 CFADRP CCc1ccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000422736740 529709182 /nfs/dbraw/zinc/70/91/82/529709182.db2.gz WLJRKDDUCZBPSG-WMLDXEAASA-N 2 0 277.456 2.569 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000423211256 529729040 /nfs/dbraw/zinc/72/90/40/529729040.db2.gz KRKQBYNVAKZBPP-ZYHUDNBSSA-N 2 0 267.442 2.664 20 0 CFADRP CCc1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000414395637 529753023 /nfs/dbraw/zinc/75/30/23/529753023.db2.gz KRSJFKBUSONPPJ-UHFFFAOYSA-N 2 0 290.455 2.593 20 0 CFADRP CCC[NH+]1CCC(NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000119001907 539341308 /nfs/dbraw/zinc/34/13/08/539341308.db2.gz KWDXJGHGWDPXBY-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)Oc1ccc(F)cc1 ZINC000127985440 187345243 /nfs/dbraw/zinc/34/52/43/187345243.db2.gz XIFXYZRHZAONAS-GUTXKFCHSA-N 2 0 280.387 2.665 20 0 CFADRP C[C@@H]1C[C@@H](N(C)CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000295069440 199328555 /nfs/dbraw/zinc/32/85/55/199328555.db2.gz QBZCIKDGYMSRAK-AEFFLSMTSA-N 2 0 289.467 2.533 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346997490 282299416 /nfs/dbraw/zinc/29/94/16/282299416.db2.gz WSYRFWRJOMBPGD-MAUKXSAKSA-N 2 0 287.451 2.889 20 0 CFADRP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000220601759 539365721 /nfs/dbraw/zinc/36/57/21/539365721.db2.gz LWNFEDKNKQSEDA-DGCLKSJQSA-N 2 0 256.459 2.733 20 0 CFADRP CN(CCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422743615 529884055 /nfs/dbraw/zinc/88/40/55/529884055.db2.gz UNSFPLYJQJEJRX-WBVHZDCISA-N 2 0 275.440 2.620 20 0 CFADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422815334 529917831 /nfs/dbraw/zinc/91/78/31/529917831.db2.gz XKJMJKDFQHBJJG-RCCFBDPRSA-N 2 0 287.451 2.633 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348103906 539386671 /nfs/dbraw/zinc/38/66/71/539386671.db2.gz MWJBSYYASWLNIM-MSOLQXFVSA-N 2 0 288.435 2.905 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414862137 529971446 /nfs/dbraw/zinc/97/14/46/529971446.db2.gz UXDYLJURGVWCJL-JTQLQIEISA-N 2 0 260.834 2.922 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000414860195 529971470 /nfs/dbraw/zinc/97/14/70/529971470.db2.gz OUTIHIDHAQXZRP-AWEZNQCLSA-N 2 0 291.439 2.726 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423200709 529971500 /nfs/dbraw/zinc/97/15/00/529971500.db2.gz MVDUBMZUFRIQEP-HNNXBMFYSA-N 2 0 257.381 2.744 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423187177 529971689 /nfs/dbraw/zinc/97/16/89/529971689.db2.gz MDQGUCDERMFGJD-SNVBAGLBSA-N 2 0 271.202 2.709 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000414862691 529970914 /nfs/dbraw/zinc/97/09/14/529970914.db2.gz WEWCDWZPOMYQHN-UHFFFAOYSA-N 2 0 264.413 2.811 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000414863180 529971201 /nfs/dbraw/zinc/97/12/01/529971201.db2.gz XAFQLRFQOHLVCW-LBPRGKRZSA-N 2 0 297.830 2.565 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414864676 529971214 /nfs/dbraw/zinc/97/12/14/529971214.db2.gz ZSFHXPBPRJXODM-LLVKDONJSA-N 2 0 274.330 2.836 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414837509 529985325 /nfs/dbraw/zinc/98/53/25/529985325.db2.gz KGMPXGALMLEGBX-LLVKDONJSA-N 2 0 277.799 2.833 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423281417 529985517 /nfs/dbraw/zinc/98/55/17/529985517.db2.gz VKZGJFDSKIBGEJ-MNOVXSKESA-N 2 0 272.339 2.794 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423269903 529985581 /nfs/dbraw/zinc/98/55/81/529985581.db2.gz HHWWYXYRGIQZLV-KGLIPLIRSA-N 2 0 264.413 2.980 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000423282426 529986094 /nfs/dbraw/zinc/98/60/94/529986094.db2.gz WNSVVTAFPKYVSS-CJNGLKHVSA-N 2 0 282.403 2.739 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423285295 529986337 /nfs/dbraw/zinc/98/63/37/529986337.db2.gz ZHZFJAFKQHICTC-YGRLFVJLSA-N 2 0 297.240 2.882 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000423278805 529986340 /nfs/dbraw/zinc/98/63/40/529986340.db2.gz ROUJJEMKBZDYDX-CZUORRHYSA-N 2 0 266.404 2.838 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423266544 529986423 /nfs/dbraw/zinc/98/64/23/529986423.db2.gz DGKCXSWTEGSGEK-ABAIWWIYSA-N 2 0 250.361 2.722 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414841413 529998583 /nfs/dbraw/zinc/99/85/83/529998583.db2.gz NZRFSILDXXZAHU-VIFPVBQESA-N 2 0 292.757 2.887 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000414831673 529998699 /nfs/dbraw/zinc/99/86/99/529998699.db2.gz DIVDKGSUQWGNKA-JTQLQIEISA-N 2 0 285.229 2.703 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423281945 529999121 /nfs/dbraw/zinc/99/91/21/529999121.db2.gz VZCSWFKLCXWOMI-WRFANHODSA-N 2 0 276.424 2.632 20 0 CFADRP CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC([NH3+])C1 ZINC000414777192 529999438 /nfs/dbraw/zinc/99/94/38/529999438.db2.gz OCIMAAAHYRVPQO-UHFFFAOYSA-N 2 0 289.467 2.566 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000423276680 529999442 /nfs/dbraw/zinc/99/94/42/529999442.db2.gz ORWILXNFBANBRV-WCQYABFASA-N 2 0 250.411 2.669 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423282039 529999861 /nfs/dbraw/zinc/99/98/61/529999861.db2.gz WFLMWRLKNKRSRL-WDEREUQCSA-N 2 0 272.339 2.794 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423272950 530000146 /nfs/dbraw/zinc/00/01/46/530000146.db2.gz KIMLCAAGFNKJSC-YOEHRIQHSA-N 2 0 298.434 2.695 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000097862622 529993183 /nfs/dbraw/zinc/99/31/83/529993183.db2.gz RRAXSYGHMYMFQV-HNNXBMFYSA-N 2 0 269.392 2.585 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000414188390 530055107 /nfs/dbraw/zinc/05/51/07/530055107.db2.gz QQIQUXYAASZBSM-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000668294729 539413630 /nfs/dbraw/zinc/41/36/30/539413630.db2.gz BMSBOVXSURLOQY-UHFFFAOYSA-N 2 0 258.369 2.888 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127303881 187295406 /nfs/dbraw/zinc/29/54/06/187295406.db2.gz WKJBMYBYFLCJQP-SJLPKXTDSA-N 2 0 289.467 2.753 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[C@H]2CCCC[NH+]2C)C1 ZINC000351332449 282388836 /nfs/dbraw/zinc/38/88/36/282388836.db2.gz SOBGSLGODOQOFO-ZWKOTPCHSA-N 2 0 293.499 2.525 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1C ZINC000127393695 187302197 /nfs/dbraw/zinc/30/21/97/187302197.db2.gz IHZRUTJPHPMSSZ-WBVHZDCISA-N 2 0 289.467 2.590 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1C ZINC000127393932 187302569 /nfs/dbraw/zinc/30/25/69/187302569.db2.gz IHZRUTJPHPMSSZ-DOTOQJQBSA-N 2 0 289.467 2.590 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)ccc2n1 ZINC000097862678 232182498 /nfs/dbraw/zinc/18/24/98/232182498.db2.gz SYNGHXYJRWNRCP-WBMJQRKESA-N 2 0 269.392 2.712 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)ccc2n1 ZINC000097862708 232182221 /nfs/dbraw/zinc/18/22/21/232182221.db2.gz IVAQEAQYRZJOID-CZUORRHYSA-N 2 0 269.392 2.712 20 0 CFADRP CCC[C@@H](C[NH2+]Cc1cnc2ccc(C)cn12)OC ZINC000295118727 199354091 /nfs/dbraw/zinc/35/40/91/199354091.db2.gz MTJKTABAWRSFKZ-AWEZNQCLSA-N 2 0 261.369 2.547 20 0 CFADRP C[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000123882268 539512441 /nfs/dbraw/zinc/51/24/41/539512441.db2.gz NFBNGHZYEMJSFA-UHFFFAOYSA-N 2 0 266.388 2.964 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313296435 260279207 /nfs/dbraw/zinc/27/92/07/260279207.db2.gz LFNLBZCTAPNGFJ-FMKPAKJESA-N 2 0 268.445 2.512 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)CCCC[NH3+])C[C@H]1OC ZINC000422945096 282454298 /nfs/dbraw/zinc/45/42/98/282454298.db2.gz UAJZVNNFMOFAFX-BFHYXJOUSA-N 2 0 256.434 2.687 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)[C@H]1OC ZINC000423420216 282458667 /nfs/dbraw/zinc/45/86/67/282458667.db2.gz AFPVKPHJDDNNMN-GWZLXJJCSA-N 2 0 294.483 2.804 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2OC)C1 ZINC000037644580 346332740 /nfs/dbraw/zinc/33/27/40/346332740.db2.gz OMIQCPSRXMBZTO-GJZGRUSLSA-N 2 0 276.424 2.996 20 0 CFADRP CCc1ncc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040623531 346346902 /nfs/dbraw/zinc/34/69/02/346346902.db2.gz VDVDUCJNWNZRON-LBPRGKRZSA-N 2 0 267.442 2.525 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000044517307 346394900 /nfs/dbraw/zinc/39/49/00/346394900.db2.gz WSLVAJYSFHFGCS-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000344071700 282481290 /nfs/dbraw/zinc/48/12/90/282481290.db2.gz KKMYORRKZPJODH-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CCSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000596653264 349969604 /nfs/dbraw/zinc/96/96/04/349969604.db2.gz UVORYGFSLIIWRP-BFHYXJOUSA-N 2 0 268.470 2.782 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1 ZINC000052184194 346516677 /nfs/dbraw/zinc/51/66/77/346516677.db2.gz VAARXKLEATZDNV-SFHVURJKSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]1C[C@@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512304 539546037 /nfs/dbraw/zinc/54/60/37/539546037.db2.gz LMFWIWGDRRTXNP-WMLDXEAASA-N 2 0 273.424 2.539 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000086894748 347489107 /nfs/dbraw/zinc/48/91/07/347489107.db2.gz IFSUNBAONIAXHP-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C12CCC2 ZINC000087710707 347498320 /nfs/dbraw/zinc/49/83/20/347498320.db2.gz BBDSABYDPMYJNO-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(COC)cc2)CC1 ZINC000088568315 347505554 /nfs/dbraw/zinc/50/55/54/347505554.db2.gz KUILVIJJRRKPHA-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000090176524 347544575 /nfs/dbraw/zinc/54/45/75/347544575.db2.gz FRCBPGSKGUTSFJ-GVDBMIGSSA-N 2 0 292.398 2.730 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000090581214 347552897 /nfs/dbraw/zinc/55/28/97/347552897.db2.gz HQFPQXFYXWYVDC-RDJZCZTQSA-N 2 0 272.436 2.939 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090718359 347555770 /nfs/dbraw/zinc/55/57/70/347555770.db2.gz JXOABVMOGISTET-YOEHRIQHSA-N 2 0 290.451 2.903 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000090881920 347560797 /nfs/dbraw/zinc/56/07/97/347560797.db2.gz AEUVRRQFSVSXCQ-KBPBESRZSA-N 2 0 258.475 2.696 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000091369096 347584118 /nfs/dbraw/zinc/58/41/18/347584118.db2.gz ZJVRVEVSGGABJD-SJORKVTESA-N 2 0 293.455 2.725 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092753105 347645061 /nfs/dbraw/zinc/64/50/61/347645061.db2.gz QSPRQEKAXKTJBX-CYBMUJFWSA-N 2 0 279.403 2.993 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093491250 347677167 /nfs/dbraw/zinc/67/71/67/347677167.db2.gz MWHIJJHTUXBARQ-FGTMMUONSA-N 3 0 293.499 2.619 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCn1ccnc1 ZINC000093516216 347678637 /nfs/dbraw/zinc/67/86/37/347678637.db2.gz FCURYBUGIYOTNZ-JKSUJKDBSA-N 2 0 278.444 2.564 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214611 347665415 /nfs/dbraw/zinc/66/54/15/347665415.db2.gz PDPLMMYWYAJTEG-JKSUJKDBSA-N 2 0 262.397 2.583 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000113701136 347768184 /nfs/dbraw/zinc/76/81/84/347768184.db2.gz QIEDFYKKNXUBQW-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP Cc1cc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1C(C)C ZINC000107573054 347735799 /nfs/dbraw/zinc/73/57/99/347735799.db2.gz OJMQTCDLEIWMJT-HZPDHXFCSA-N 2 0 288.435 2.648 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000110649226 347749412 /nfs/dbraw/zinc/74/94/12/347749412.db2.gz UDHLIKGPGDSADU-JTQLQIEISA-N 2 0 296.798 2.628 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000110976498 347750873 /nfs/dbraw/zinc/75/08/73/347750873.db2.gz XGPPBJKZEIODHQ-OAHLLOKOSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000124555430 347825018 /nfs/dbraw/zinc/82/50/18/347825018.db2.gz ZRPMRNPBTRRJBH-YPMHNXCESA-N 2 0 268.788 2.530 20 0 CFADRP C[C@H]([NH2+]CCCF)c1cccc(OCC[NH+](C)C)c1 ZINC000126896936 347837855 /nfs/dbraw/zinc/83/78/55/347837855.db2.gz VVBHAWVEMWSQJD-ZDUSSCGKSA-N 2 0 268.376 2.637 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C1CC[NH+](C)CC1 ZINC000396468675 539579426 /nfs/dbraw/zinc/57/94/26/539579426.db2.gz VLWQIBSKDDCMBG-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000133986827 347894584 /nfs/dbraw/zinc/89/45/84/347894584.db2.gz VWWGTVMKXPNPNK-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000133992016 347894973 /nfs/dbraw/zinc/89/49/73/347894973.db2.gz XPJATMSKVPLHGJ-ZWKOTPCHSA-N 2 0 293.499 2.596 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000668583336 539596610 /nfs/dbraw/zinc/59/66/10/539596610.db2.gz DYIAKMBHVIHGLN-YOEHRIQHSA-N 2 0 289.423 2.598 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)cc2c1OCC2 ZINC000228496424 348195770 /nfs/dbraw/zinc/19/57/70/348195770.db2.gz WARTWCQEWCLGCG-IINYFYTJSA-N 2 0 280.799 2.587 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC(C)(C)C ZINC000237188736 348239413 /nfs/dbraw/zinc/23/94/13/348239413.db2.gz KOSSCFUEZSYOAW-UHFFFAOYSA-N 2 0 264.413 2.763 20 0 CFADRP CSCC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237507706 348240598 /nfs/dbraw/zinc/24/05/98/348240598.db2.gz BLZATLDKOLEGJM-UHFFFAOYSA-N 2 0 294.464 2.614 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(COC)o2)CC1 ZINC000128808220 187391112 /nfs/dbraw/zinc/39/11/12/187391112.db2.gz UAISLBHYHSOINF-UHFFFAOYSA-N 2 0 280.412 2.638 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000245714498 348257003 /nfs/dbraw/zinc/25/70/03/348257003.db2.gz OCYMTNYXVQQSQP-CLLJXQQHSA-N 2 0 268.445 2.841 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000257679227 348306686 /nfs/dbraw/zinc/30/66/86/348306686.db2.gz KRCYHNMFXWKJHQ-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@@H]2C[N@@H+](C)CCN2C)c1C ZINC000273395952 192137292 /nfs/dbraw/zinc/13/72/92/192137292.db2.gz VOVZZPIQKUKNSG-OAHLLOKOSA-N 2 0 298.434 2.509 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CCCO)c2ccccc2)CC1 ZINC000305182041 539646017 /nfs/dbraw/zinc/64/60/17/539646017.db2.gz WKDFKSUMGPGBJT-SFHVURJKSA-N 2 0 290.451 2.964 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1COc2ccccc21 ZINC000090845462 539656728 /nfs/dbraw/zinc/65/67/28/539656728.db2.gz QGWSEQHSTMLKJA-VBQJREDUSA-N 2 0 288.435 2.871 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000584774778 348714539 /nfs/dbraw/zinc/71/45/39/348714539.db2.gz MIHSNABZMLVDQB-BPLDGKMQSA-N 2 0 291.443 2.533 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCCc3sccc3C2)CC[NH2+]1 ZINC000666639321 539667897 /nfs/dbraw/zinc/66/78/97/539667897.db2.gz UXDCOWAQOUFIMH-QWHCGFSZSA-N 2 0 264.438 2.884 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cn1 ZINC000397010649 539669109 /nfs/dbraw/zinc/66/91/09/539669109.db2.gz BXLRZTIGVSMXQA-CQSZACIVSA-N 2 0 261.413 2.518 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091937397 539670883 /nfs/dbraw/zinc/67/08/83/539670883.db2.gz CIIKPNIOKLIQRK-GASCZTMLSA-N 2 0 276.424 3.000 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166643404 539673065 /nfs/dbraw/zinc/67/30/65/539673065.db2.gz VTXIZQIQPPWMGT-IAGOWNOFSA-N 2 0 273.424 2.705 20 0 CFADRP CCCN1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000668682528 539693038 /nfs/dbraw/zinc/69/30/38/539693038.db2.gz JCHPDYKBHQJLNY-OAHLLOKOSA-N 2 0 266.816 2.956 20 0 CFADRP C[N@@H+](Cc1nc2ccccc2o1)CC1CC[NH+](C)CC1 ZINC000591082744 348985925 /nfs/dbraw/zinc/98/59/25/348985925.db2.gz DSUFMAFEUXXYHY-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423480978 293438541 /nfs/dbraw/zinc/43/85/41/293438541.db2.gz WKRSXTIQZBVVIJ-RWMBFGLXSA-N 2 0 279.453 2.936 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2ccncc2)CC1 ZINC000590819049 348954413 /nfs/dbraw/zinc/95/44/13/348954413.db2.gz VWPIFCBAEYQQPR-UHFFFAOYSA-N 2 0 275.440 2.676 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)ccc12 ZINC000414177161 233187919 /nfs/dbraw/zinc/18/79/19/233187919.db2.gz IALGQCGXXFCIBZ-GVDBMIGSSA-N 2 0 297.402 2.772 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414189194 233191478 /nfs/dbraw/zinc/19/14/78/233191478.db2.gz RDHIZSORUIWJFT-GDBMZVCRSA-N 2 0 273.380 2.629 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccccc1F ZINC000127629562 539725475 /nfs/dbraw/zinc/72/54/75/539725475.db2.gz MBZIUDLBURTIOV-KGLIPLIRSA-N 2 0 294.414 2.913 20 0 CFADRP Cc1nc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)sc1C ZINC000127813775 539728819 /nfs/dbraw/zinc/72/88/19/539728819.db2.gz MUTGQKVDYJQNBJ-LBPRGKRZSA-N 2 0 281.469 2.622 20 0 CFADRP CSCC1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000593322281 349247301 /nfs/dbraw/zinc/24/73/01/349247301.db2.gz LXEIJGHVOQYUHA-UHFFFAOYSA-N 2 0 270.486 2.888 20 0 CFADRP C[C@@H]1C[C@H](Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000127857067 539730008 /nfs/dbraw/zinc/73/00/08/539730008.db2.gz BDRCPFGPUNFLRU-CZUORRHYSA-N 2 0 261.413 2.643 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000128147085 539734134 /nfs/dbraw/zinc/73/41/34/539734134.db2.gz DKGRBFXGHVHJAO-UONOGXRCSA-N 2 0 294.414 2.913 20 0 CFADRP OC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414343095 233231652 /nfs/dbraw/zinc/23/16/52/233231652.db2.gz QKLRVFVWRSKQMV-RDJZCZTQSA-N 2 0 294.483 2.924 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC[C@H]2CCCC[C@H]2O)CC1 ZINC000305773209 539741666 /nfs/dbraw/zinc/74/16/66/539741666.db2.gz LMCAYTLJAUSTCV-NVXWUHKLSA-N 2 0 282.472 2.782 20 0 CFADRP CSC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000597247917 350072097 /nfs/dbraw/zinc/07/20/97/350072097.db2.gz JAVMRIFPIDJDNK-UHFFFAOYSA-N 2 0 268.470 2.594 20 0 CFADRP C[NH+](C)Cc1ccc(NC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000414503876 233274158 /nfs/dbraw/zinc/27/41/58/233274158.db2.gz XGYASHZZIIHSKC-UHFFFAOYSA-N 2 0 291.414 2.926 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090721282 180032144 /nfs/dbraw/zinc/03/21/44/180032144.db2.gz FDNALWXCCNBUFA-HIFRSBDPSA-N 2 0 262.397 2.658 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090724028 180032958 /nfs/dbraw/zinc/03/29/58/180032958.db2.gz SLEAHCYPHZDXFV-ZQIUZPCESA-N 2 0 276.424 2.822 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000090720227 180030004 /nfs/dbraw/zinc/03/00/04/180030004.db2.gz YKDZKHUDPFOHPZ-BXUZGUMPSA-N 2 0 252.789 2.912 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000051630794 539756314 /nfs/dbraw/zinc/75/63/14/539756314.db2.gz SXFAZTNEINOHDZ-KBXCAEBGSA-N 2 0 272.436 2.864 20 0 CFADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(C)C ZINC000090937321 180068241 /nfs/dbraw/zinc/06/82/41/180068241.db2.gz YUIOEAXFWZYQAA-HNNXBMFYSA-N 2 0 279.428 2.546 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000414659546 233317606 /nfs/dbraw/zinc/31/76/06/233317606.db2.gz NHIODXMZHAMWMF-HLLBOEOZSA-N 2 0 260.425 2.924 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]21 ZINC000414659711 233317624 /nfs/dbraw/zinc/31/76/24/233317624.db2.gz LMROOGBKFALDJU-KFGODFMUSA-N 2 0 270.420 2.849 20 0 CFADRP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000399145221 539768073 /nfs/dbraw/zinc/76/80/73/539768073.db2.gz VTLPMRDPHFFGJJ-BBRMVZONSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000414686389 233325627 /nfs/dbraw/zinc/32/56/27/233325627.db2.gz AIJJZOBYLPXLKD-CABCVRRESA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3nccs3)C2)CC[NH2+]1 ZINC000414688008 233326946 /nfs/dbraw/zinc/32/69/46/233326946.db2.gz COPDPYAXVJUDOS-MGPQQGTHSA-N 2 0 279.453 2.711 20 0 CFADRP CCOc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000414748801 233342235 /nfs/dbraw/zinc/34/22/35/233342235.db2.gz VAFZZTFZQOMBSQ-LSDHHAIUSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC(Cc3cccnc3)CC2)CC[NH2+]1 ZINC000414748896 233342554 /nfs/dbraw/zinc/34/25/54/233342554.db2.gz XNPYWIWUFIWXLF-QAPCUYQASA-N 2 0 287.451 2.724 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C[C@@H]2CCCO2)C2CCCC2)CC[NH2+]1 ZINC000414709368 233335071 /nfs/dbraw/zinc/33/50/71/233335071.db2.gz QZUIOJUUGBXKLV-VYDXJSESSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C[C@H]2CCCO2)C2CCCC2)CC[NH2+]1 ZINC000414709365 233335578 /nfs/dbraw/zinc/33/55/78/233335578.db2.gz QZUIOJUUGBXKLV-HLLBOEOZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414715462 233337111 /nfs/dbraw/zinc/33/71/11/233337111.db2.gz WXJNXHGGQIPWKN-CHWSQXEVSA-N 2 0 262.372 2.793 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3nccs3)CCCC2)CC[NH2+]1 ZINC000414717036 233337797 /nfs/dbraw/zinc/33/77/97/233337797.db2.gz ZALZXDPZYTWGNX-OLZOCXBDSA-N 2 0 279.453 2.890 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000104947464 186032964 /nfs/dbraw/zinc/03/29/64/186032964.db2.gz JQNRRLWSDASHJN-UHFFFAOYSA-N 2 0 292.471 2.717 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000414802921 233357649 /nfs/dbraw/zinc/35/76/49/233357649.db2.gz CBEMYOWMPUDJCK-CYBMUJFWSA-N 2 0 294.402 2.883 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414800781 233355863 /nfs/dbraw/zinc/35/58/63/233355863.db2.gz LJGDCIJEWGZCEW-XNRPHZJLSA-N 2 0 264.388 2.864 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414776749 233348586 /nfs/dbraw/zinc/34/85/86/233348586.db2.gz HPMFBLVNKMTRDE-SJORKVTESA-N 2 0 288.435 2.907 20 0 CFADRP Fc1cccc(F)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414781672 233349616 /nfs/dbraw/zinc/34/96/16/233349616.db2.gz NKJNULWHGCLHGA-STQMWFEESA-N 2 0 280.362 2.786 20 0 CFADRP c1ccc(-c2cccc(C[NH2+]C3CC[NH2+]CC3)c2)nc1 ZINC000414786214 233351083 /nfs/dbraw/zinc/35/10/83/233351083.db2.gz JPVAEADHIRFLHV-UHFFFAOYSA-N 2 0 267.376 2.590 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414790989 233351744 /nfs/dbraw/zinc/35/17/44/233351744.db2.gz PTFXGTHHMWHELN-BBWFWOEESA-N 2 0 258.409 2.993 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000414801821 233357805 /nfs/dbraw/zinc/35/78/05/233357805.db2.gz MHEWQDBQSHDIDT-NVXWUHKLSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1cccc2ncc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)n21 ZINC000414805554 233359409 /nfs/dbraw/zinc/35/94/09/233359409.db2.gz GLQLEFZIYMCFBC-CQSZACIVSA-N 2 0 294.402 2.952 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414810640 233360614 /nfs/dbraw/zinc/36/06/14/233360614.db2.gz VKQPHQRSQFMJFC-SMDDNHRTSA-N 2 0 292.814 2.595 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnc(N(C)C)s2)cc1 ZINC000414809334 233360973 /nfs/dbraw/zinc/36/09/73/233360973.db2.gz MELOSUILMHDUSV-LLVKDONJSA-N 2 0 290.436 2.519 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000414816244 233363651 /nfs/dbraw/zinc/36/36/51/233363651.db2.gz ZPKDYIAJBCLYIT-CYBMUJFWSA-N 2 0 298.386 2.767 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824126 233367483 /nfs/dbraw/zinc/36/74/83/233367483.db2.gz AFTUAIKLHWIFQD-ZIAGYGMSSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc2cccnc12 ZINC000414826057 233368051 /nfs/dbraw/zinc/36/80/51/233368051.db2.gz IBWITWGHUPLTQH-CQSZACIVSA-N 2 0 269.392 2.632 20 0 CFADRP c1sc(-c2ccccc2)nc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827630 233368254 /nfs/dbraw/zinc/36/82/54/233368254.db2.gz HNHGETDMBLFPBY-CYBMUJFWSA-N 2 0 287.432 2.899 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414829587 233368982 /nfs/dbraw/zinc/36/89/82/233368982.db2.gz LCWYLLAOOIHCTL-GFCCVEGCSA-N 2 0 297.240 2.847 20 0 CFADRP c1c2ccccc2sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828797 233369045 /nfs/dbraw/zinc/36/90/45/233369045.db2.gz MZNRFFVBVHHMJT-GFCCVEGCSA-N 2 0 260.406 2.991 20 0 CFADRP FC(F)[C@@H](CCc1ccccc1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414831707 233369913 /nfs/dbraw/zinc/36/99/13/233369913.db2.gz NOQQOYNHTDDWMP-LSDHHAIUSA-N 2 0 282.378 2.842 20 0 CFADRP c1ccc(OCC2CC2)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414831192 233370094 /nfs/dbraw/zinc/37/00/94/233370094.db2.gz MTZRLWAWCFVUTD-CQSZACIVSA-N 2 0 274.408 2.565 20 0 CFADRP Cc1nc2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)cc2s1 ZINC000414832304 233371923 /nfs/dbraw/zinc/37/19/23/233371923.db2.gz ONNQKCOPNBIKBR-GFCCVEGCSA-N 2 0 275.421 2.694 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414836929 233372815 /nfs/dbraw/zinc/37/28/15/233372815.db2.gz JUCGUZVAPSZDOD-OAHLLOKOSA-N 2 0 288.435 2.955 20 0 CFADRP c1ccc(OCCCCC[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414842737 233374878 /nfs/dbraw/zinc/37/48/78/233374878.db2.gz ZBTAFYUFBJSRSW-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1nc2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc2s1 ZINC000414846859 233375776 /nfs/dbraw/zinc/37/57/76/233375776.db2.gz FHNUFIDVDJRMMV-ZDUSSCGKSA-N 2 0 275.421 2.694 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414875550 233386253 /nfs/dbraw/zinc/38/62/53/233386253.db2.gz JVZMRFVRFHTGHH-SECBINFHSA-N 2 0 267.423 2.556 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(Cl)c1 ZINC000414880040 233388598 /nfs/dbraw/zinc/38/85/98/233388598.db2.gz QKKKJYCOAMDORX-RYUDHWBXSA-N 2 0 297.830 2.550 20 0 CFADRP [NH3+][C@@H](C[NH2+]CCCc1c(F)cccc1Cl)C1CC1 ZINC000414888078 233389873 /nfs/dbraw/zinc/38/98/73/233389873.db2.gz JTAGGXRSKBRCRG-AWEZNQCLSA-N 2 0 270.779 2.739 20 0 CFADRP C[C@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414900138 233392548 /nfs/dbraw/zinc/39/25/48/233392548.db2.gz DGQQVSWEKTWWOH-CJNGLKHVSA-N 2 0 264.388 2.909 20 0 CFADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908217 233396475 /nfs/dbraw/zinc/39/64/75/233396475.db2.gz RKEBUCZCUIZUJC-SVGFKBNWSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414911284 233396962 /nfs/dbraw/zinc/39/69/62/233396962.db2.gz GKUOWWXBTHYFMM-MRXNPFEDSA-N 2 0 298.434 2.721 20 0 CFADRP Fc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000414854623 233379697 /nfs/dbraw/zinc/37/96/97/233379697.db2.gz ULVKARGMBQFIGV-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414859115 233381635 /nfs/dbraw/zinc/38/16/35/233381635.db2.gz MCUKSFGJLATXRC-AWEZNQCLSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000414943875 233410239 /nfs/dbraw/zinc/41/02/39/233410239.db2.gz OMBSAHZFAFWFHU-WBVHZDCISA-N 2 0 276.424 2.823 20 0 CFADRP COc1ccc([C@H](C)C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000415007584 233434646 /nfs/dbraw/zinc/43/46/46/233434646.db2.gz LOJAFMYUROGFOQ-JEBQAFNWSA-N 2 0 288.435 2.776 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598969803 350351763 /nfs/dbraw/zinc/35/17/63/350351763.db2.gz IYTDGIMVRUMJLR-CYBMUJFWSA-N 2 0 258.475 2.838 20 0 CFADRP CCSC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000598985873 350354225 /nfs/dbraw/zinc/35/42/25/350354225.db2.gz BZOWABGTUNTXDN-LBPRGKRZSA-N 2 0 256.459 2.735 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414998520 233429075 /nfs/dbraw/zinc/42/90/75/233429075.db2.gz IBXHSNWTBSYFNE-SWLSCSKDSA-N 2 0 250.361 2.741 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415042910 233445525 /nfs/dbraw/zinc/44/55/25/233445525.db2.gz SZUMOQKKTIXVIL-QXDIGNSFSA-N 2 0 270.420 2.595 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CCC[NH2+]C1CC1 ZINC000415073409 233455644 /nfs/dbraw/zinc/45/56/44/233455644.db2.gz YKHJZZMKKMMNST-CYBMUJFWSA-N 2 0 264.388 2.879 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000415040313 233443827 /nfs/dbraw/zinc/44/38/27/233443827.db2.gz OYCFQGBBJZOEDH-MWLCHTKSSA-N 2 0 288.313 2.644 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360843079 282695809 /nfs/dbraw/zinc/69/58/09/282695809.db2.gz ZHWBRFFGEZITJR-QGZVFWFLSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000106410133 186116040 /nfs/dbraw/zinc/11/60/40/186116040.db2.gz UDTRCZXGDBLXHZ-CQSZACIVSA-N 2 0 262.372 2.708 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868777 186143948 /nfs/dbraw/zinc/14/39/48/186143948.db2.gz PDSNEMZUVHSVSH-HZPDHXFCSA-N 2 0 274.408 2.802 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1O ZINC000106868609 186143456 /nfs/dbraw/zinc/14/34/56/186143456.db2.gz RMDRGWHPZJXAMO-JKSUJKDBSA-N 2 0 274.408 2.725 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCC1 ZINC000600192623 350535917 /nfs/dbraw/zinc/53/59/17/350535917.db2.gz XLCUREJIDHVVOS-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785335 539803093 /nfs/dbraw/zinc/80/30/93/539803093.db2.gz PGHUYMJKASTZOB-CQSZACIVSA-N 2 0 282.453 2.599 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000110650141 186310236 /nfs/dbraw/zinc/31/02/36/186310236.db2.gz XROSQYFRJHBINX-CYBMUJFWSA-N 2 0 285.391 2.901 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000110643958 186308503 /nfs/dbraw/zinc/30/85/03/186308503.db2.gz NCDNHQBVBDGDFQ-VXGBXAGGSA-N 2 0 250.361 2.946 20 0 CFADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309647087 539804953 /nfs/dbraw/zinc/80/49/53/539804953.db2.gz DAKYLDWOPIPEAK-WMZOPIPTSA-N 2 0 290.451 2.771 20 0 CFADRP CSCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109742 351105104 /nfs/dbraw/zinc/10/51/04/351105104.db2.gz HFSVSFVSSPOWFC-UHFFFAOYSA-N 2 0 258.475 2.937 20 0 CFADRP CCOC(=O)CCCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000602967551 351074161 /nfs/dbraw/zinc/07/41/61/351074161.db2.gz LGNLSTJWQRVUNG-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)s1 ZINC000607729323 351356576 /nfs/dbraw/zinc/35/65/76/351356576.db2.gz PNSMMTAIRFWEIM-CYBMUJFWSA-N 2 0 276.409 2.794 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423247679 282983028 /nfs/dbraw/zinc/98/30/28/282983028.db2.gz LOEVONSZOJSQLB-HZMBPMFUSA-N 2 0 266.335 2.541 20 0 CFADRP COc1ccc(CC[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121616434 186984910 /nfs/dbraw/zinc/98/49/10/186984910.db2.gz RYLMONSLOLNUJO-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2COC)[C@H](C)C1 ZINC000122042445 187012043 /nfs/dbraw/zinc/01/20/43/187012043.db2.gz YSDBRZRPFSOFJM-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2COC)[C@H](C)C1 ZINC000122042200 187012122 /nfs/dbraw/zinc/01/21/22/187012122.db2.gz YSDBRZRPFSOFJM-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291735640 198074974 /nfs/dbraw/zinc/07/49/74/198074974.db2.gz OIGVZSUAWYQKDV-UHFFFAOYSA-N 2 0 270.420 2.917 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@H](C)C1 ZINC000122729328 187048410 /nfs/dbraw/zinc/04/84/10/187048410.db2.gz CTVDWWMUGZVSQR-TZMCWYRMSA-N 2 0 281.831 2.597 20 0 CFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000122942412 187061251 /nfs/dbraw/zinc/06/12/51/187061251.db2.gz WVMRXMYNLQRZPS-MRXNPFEDSA-N 2 0 289.423 2.609 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCOC1 ZINC000123010880 187065618 /nfs/dbraw/zinc/06/56/18/187065618.db2.gz ZLKYKTISWSCBIW-YJBOKZPZSA-N 2 0 288.435 2.797 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2cccnc2)CC1 ZINC000123285686 187082426 /nfs/dbraw/zinc/08/24/26/187082426.db2.gz CWLALDKCZTZCIE-UHFFFAOYSA-N 2 0 261.413 2.635 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nc1 ZINC000123382068 187088219 /nfs/dbraw/zinc/08/82/19/187088219.db2.gz ZADUAAGWXFCGNG-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cnn(C)c1 ZINC000123591776 187100148 /nfs/dbraw/zinc/10/01/48/187100148.db2.gz CKEYNEICKFEFBM-QGZVFWFLSA-N 2 0 286.423 2.723 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000123597174 187100792 /nfs/dbraw/zinc/10/07/92/187100792.db2.gz DVLGEMAYFQQRAA-IAQYHMDHSA-N 2 0 258.365 2.910 20 0 CFADRP CC[C@H](COC)[NH2+]Cc1cccc(C[N@H+](C)CC)c1 ZINC000123996513 187117705 /nfs/dbraw/zinc/11/77/05/187117705.db2.gz YBFJMAAXUHMSLN-MRXNPFEDSA-N 2 0 264.413 2.653 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000134114623 539826506 /nfs/dbraw/zinc/82/65/06/539826506.db2.gz RHJVOZOXFMWVBJ-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@H](C(=O)Nc1ccccc1Nc1cc[nH+]cc1)[NH+](C)C ZINC000614254626 352070677 /nfs/dbraw/zinc/07/06/77/352070677.db2.gz IHBXIRBYYYTFCW-MRXNPFEDSA-N 2 0 298.390 2.526 20 0 CFADRP Cc1ncn(-c2ccc(NC(=O)C3(N(C)C)CC3)cc2)c1C ZINC000615114632 352155992 /nfs/dbraw/zinc/15/59/92/352155992.db2.gz JWKWKVGISHGOQW-UHFFFAOYSA-N 2 0 298.390 2.522 20 0 CFADRP CCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000311712726 539850478 /nfs/dbraw/zinc/85/04/78/539850478.db2.gz WFITUWRWGDIEAF-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000226701749 539871206 /nfs/dbraw/zinc/87/12/06/539871206.db2.gz VAIBXIBAOJZJTJ-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292039082 198142455 /nfs/dbraw/zinc/14/24/55/198142455.db2.gz AHFVLLGRDBYASG-KRWDZBQOSA-N 2 0 258.409 2.777 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292050448 198145487 /nfs/dbraw/zinc/14/54/87/198145487.db2.gz BLZWRHBOCZKENT-QGZVFWFLSA-N 2 0 258.409 2.565 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000271541915 191201284 /nfs/dbraw/zinc/20/12/84/191201284.db2.gz YRHVVECFDFBMJJ-LALPHHSUSA-N 2 0 282.378 2.826 20 0 CFADRP C[C@@H]([NH2+]C1CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271547020 191206256 /nfs/dbraw/zinc/20/62/56/191206256.db2.gz ZKNXHRQNEYLBBP-CYBMUJFWSA-N 2 0 262.397 2.830 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271549505 191207739 /nfs/dbraw/zinc/20/77/39/191207739.db2.gz VKTVVJFDYBILRT-UKRRQHHQSA-N 2 0 294.464 2.783 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C2CCC2)cc1 ZINC000093475690 539901325 /nfs/dbraw/zinc/90/13/25/539901325.db2.gz BWHTZHBRBBRTKU-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000093503373 539902190 /nfs/dbraw/zinc/90/21/90/539902190.db2.gz BJJVQKGOVRHURE-GASCZTMLSA-N 2 0 276.424 2.715 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000232969600 539911812 /nfs/dbraw/zinc/91/18/12/539911812.db2.gz IOWUEEBKLZLJKH-HZPDHXFCSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(Cc3ncc(-c4ccccc4)o3)C2)C1 ZINC000292128137 198174087 /nfs/dbraw/zinc/17/40/87/198174087.db2.gz KZEFPMFUBHVITN-GOSISDBHSA-N 2 0 297.402 2.869 20 0 CFADRP Cc1cccc(CCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292166356 198188698 /nfs/dbraw/zinc/18/86/98/198188698.db2.gz PDFPXNWMEDFFBY-GOSISDBHSA-N 2 0 272.436 2.955 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(C)C ZINC000425951017 282852046 /nfs/dbraw/zinc/85/20/46/282852046.db2.gz LXFLIFNUYCCGLZ-RRFJBIMHSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1ccccc1CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292237706 198213114 /nfs/dbraw/zinc/21/31/14/198213114.db2.gz WJHKGLKZSDCUDJ-SFHVURJKSA-N 2 0 272.436 2.955 20 0 CFADRP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)s1 ZINC000292225454 198208672 /nfs/dbraw/zinc/20/86/72/198208672.db2.gz VGXKSTGWTUYJDW-HNNXBMFYSA-N 2 0 264.438 2.893 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC1(F)F ZINC000666444682 539966756 /nfs/dbraw/zinc/96/67/56/539966756.db2.gz JLEBGACVZOIJHN-IUODEOHRSA-N 2 0 298.377 2.760 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000153795482 188104650 /nfs/dbraw/zinc/10/46/50/188104650.db2.gz ZRGPUMPQNSUWJP-OAHLLOKOSA-N 2 0 264.413 2.614 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000154514770 188146606 /nfs/dbraw/zinc/14/66/06/188146606.db2.gz WZSPFJSYEJSHJT-UHFFFAOYSA-N 2 0 289.423 2.514 20 0 CFADRP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000156202411 188248389 /nfs/dbraw/zinc/24/83/89/188248389.db2.gz ROSYTVJZQWVKPQ-JFIYKMOQSA-N 2 0 290.451 2.912 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000234822605 539993952 /nfs/dbraw/zinc/99/39/52/539993952.db2.gz LGRAQOYUJXIKDC-JSGCOSHPSA-N 2 0 268.445 2.843 20 0 CFADRP CC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000434756595 540000847 /nfs/dbraw/zinc/00/08/47/540000847.db2.gz NMYMZZCBVUNZGH-QGZVFWFLSA-N 2 0 288.435 2.533 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC(C)C2)[C@@H](C)C1 ZINC000621772122 353421498 /nfs/dbraw/zinc/42/14/98/353421498.db2.gz YUEWCHOFQSRVEU-XGHPGWEVSA-N 2 0 282.472 2.759 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000621776842 353422835 /nfs/dbraw/zinc/42/28/35/353422835.db2.gz XSACHTHFVFERIM-ZIAGYGMSSA-N 2 0 279.815 2.557 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000090707017 282908882 /nfs/dbraw/zinc/90/88/82/282908882.db2.gz FTGQLWLOALRJBI-GPANFISMSA-N 2 0 270.461 2.902 20 0 CFADRP CN(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158891512 188398989 /nfs/dbraw/zinc/39/89/89/188398989.db2.gz NUOWLJBGOQCOFN-AEFFLSMTSA-N 2 0 287.451 2.539 20 0 CFADRP COCc1ccccc1/C=C(/C)C[NH2+]CCc1cncn1C ZINC000623085847 353585054 /nfs/dbraw/zinc/58/50/54/353585054.db2.gz IRQSCANUWMWCNR-GDNBJRDFSA-N 2 0 299.418 2.802 20 0 CFADRP Cn1cncc1CC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000623086115 353585101 /nfs/dbraw/zinc/58/51/01/353585101.db2.gz XVVHJOQVGOWUOZ-UHFFFAOYSA-N 2 0 278.425 2.506 20 0 CFADRP CN(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623349857 353620876 /nfs/dbraw/zinc/62/08/76/353620876.db2.gz OURNPEAWDBRIGR-HNNXBMFYSA-N 2 0 275.440 2.585 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)c1ccccc1 ZINC000623357592 353623617 /nfs/dbraw/zinc/62/36/17/353623617.db2.gz XDJFMKZCFOSANG-HZPDHXFCSA-N 2 0 289.467 2.974 20 0 CFADRP C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000623357328 353624098 /nfs/dbraw/zinc/62/40/98/353624098.db2.gz JGCMHWSIOHTYIF-OAGGEKHMSA-N 2 0 281.488 2.712 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623358808 353624802 /nfs/dbraw/zinc/62/48/02/353624802.db2.gz STUJCGQBBFEQFF-KRWDZBQOSA-N 3 0 295.515 2.961 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)CC1(C)C ZINC000623363030 353625742 /nfs/dbraw/zinc/62/57/42/353625742.db2.gz VJLMRSJXESCHAJ-GFCCVEGCSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@@H]1CCC[C@@](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)([NH+](C)C)C1 ZINC000623371826 353628105 /nfs/dbraw/zinc/62/81/05/353628105.db2.gz VADNSSSKSPHHEP-JFIYKMOQSA-N 2 0 295.515 2.959 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCCN(C)C2)ccc1Cl ZINC000623372531 353628150 /nfs/dbraw/zinc/62/81/50/353628150.db2.gz YOATURXEDSTEQC-LBPRGKRZSA-N 2 0 268.788 2.532 20 0 CFADRP C[C@@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623402170 353635630 /nfs/dbraw/zinc/63/56/30/353635630.db2.gz AGZRKAUFDKXJLM-ZFWWWQNUSA-N 2 0 276.424 2.786 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623403318 353635689 /nfs/dbraw/zinc/63/56/89/353635689.db2.gz RMIDSPPOKYLTOE-UKRRQHHQSA-N 2 0 276.424 2.786 20 0 CFADRP CCc1cnc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)s1 ZINC000623433460 353642997 /nfs/dbraw/zinc/64/29/97/353642997.db2.gz KDXPLUFMVZPDPR-LBPRGKRZSA-N 2 0 281.469 2.710 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623440796 353645358 /nfs/dbraw/zinc/64/53/58/353645358.db2.gz LHWIUWQPWREAIW-PMPSAXMXSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623440695 353645386 /nfs/dbraw/zinc/64/53/86/353645386.db2.gz HAMJJWGGPCGECK-HIFRSBDPSA-N 2 0 261.413 2.648 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000675746635 540006765 /nfs/dbraw/zinc/00/67/65/540006765.db2.gz OBKYFOGKMOJFFD-HZPDHXFCSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCCO2)CC1(C)C ZINC000623493178 353656742 /nfs/dbraw/zinc/65/67/42/353656742.db2.gz XPYIFPMWFBAWDN-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC000623528928 353664714 /nfs/dbraw/zinc/66/47/14/353664714.db2.gz LVRBAGHTZQOLDX-HZPDHXFCSA-N 2 0 288.435 2.761 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)C2CCCCC2)CC1(C)C ZINC000623534136 353666076 /nfs/dbraw/zinc/66/60/76/353666076.db2.gz ZEPQXCOWQCVYCM-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623536727 353666624 /nfs/dbraw/zinc/66/66/24/353666624.db2.gz ACBUNGCBXOBDEC-BFHYXJOUSA-N 2 0 256.434 2.510 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538733 353667402 /nfs/dbraw/zinc/66/74/02/353667402.db2.gz RYKUHWBPUYXBQO-OAHLLOKOSA-N 2 0 275.440 2.785 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538732 353667469 /nfs/dbraw/zinc/66/74/69/353667469.db2.gz RYKUHWBPUYXBQO-HNNXBMFYSA-N 2 0 275.440 2.785 20 0 CFADRP CO[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CC(C)C ZINC000623551965 353669941 /nfs/dbraw/zinc/66/99/41/353669941.db2.gz PMYRDFJYJRNEBH-ZIAGYGMSSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC23CCSCC3)CC1(C)C ZINC000623552531 353669961 /nfs/dbraw/zinc/66/99/61/353669961.db2.gz JWWPLRPSFDOLBJ-ZIAGYGMSSA-N 2 0 282.497 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCCC2)CC1(C)C ZINC000623552747 353670355 /nfs/dbraw/zinc/67/03/55/353670355.db2.gz UQFFOXLIXYEHHP-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)CC1(C)C ZINC000623557813 353671285 /nfs/dbraw/zinc/67/12/85/353671285.db2.gz JELVFYLZMLVBTF-RUXDESIVSA-N 2 0 256.409 2.977 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2c[nH]nc2C(C)(C)C)C1 ZINC000623655755 353696619 /nfs/dbraw/zinc/69/66/19/353696619.db2.gz DQMSIYHEYOAFGA-CYBMUJFWSA-N 2 0 278.444 2.529 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562910 353672964 /nfs/dbraw/zinc/67/29/64/353672964.db2.gz HJCSXPNVPHAYAN-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574519 353675777 /nfs/dbraw/zinc/67/57/77/353675777.db2.gz QHAIZFQESILLSJ-PVAVHDDUSA-N 2 0 290.451 2.613 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000623657792 353699382 /nfs/dbraw/zinc/69/93/82/353699382.db2.gz ZCLPLJQKHYFIBW-HNNXBMFYSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000623749862 353718208 /nfs/dbraw/zinc/71/82/08/353718208.db2.gz RMBICIAVCKBMHJ-CALCHBBNSA-N 2 0 290.451 2.505 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000623834399 353735348 /nfs/dbraw/zinc/73/53/48/353735348.db2.gz XESKFJFWZXGIOQ-XHDPSFHLSA-N 2 0 291.826 2.904 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(C)sc1C ZINC000623889283 353750025 /nfs/dbraw/zinc/75/00/25/353750025.db2.gz JIGSZPRGVYRCIW-HIFRSBDPSA-N 2 0 284.469 2.718 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@@H]1CCCCO1 ZINC000623959922 353769661 /nfs/dbraw/zinc/76/96/61/353769661.db2.gz CSLNNWBSLCYDTQ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000623879032 353747141 /nfs/dbraw/zinc/74/71/41/353747141.db2.gz VYQLURMYTTUKGA-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP C([NH2+][C@@H]1COC2(CCC2)C1)[C@@H]1CCN1C1CCCCC1 ZINC000624077884 353799488 /nfs/dbraw/zinc/79/94/88/353799488.db2.gz GHTPBIKPXVDPAF-HOCLYGCPSA-N 2 0 278.440 2.695 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000624120115 353810985 /nfs/dbraw/zinc/81/09/85/353810985.db2.gz RPJOEAQCWRTQHA-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C12CCC2 ZINC000624121645 353811047 /nfs/dbraw/zinc/81/10/47/353811047.db2.gz ADBVWPXBTKROLT-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000624121106 353811170 /nfs/dbraw/zinc/81/11/70/353811170.db2.gz OBAOYMBHDOICMA-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122059 353811470 /nfs/dbraw/zinc/81/14/70/353811470.db2.gz IXABSEAKRGIURK-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCSCC1 ZINC000624124177 353813181 /nfs/dbraw/zinc/81/31/81/353813181.db2.gz ZHJOLJBGRTUPNQ-KBPBESRZSA-N 2 0 270.486 2.840 20 0 CFADRP c1n[nH]cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000624211907 353835902 /nfs/dbraw/zinc/83/59/02/353835902.db2.gz JFUJEXNNELGLTB-UHFFFAOYSA-N 2 0 284.407 2.685 20 0 CFADRP CN(CCC[NH+](C)C)CCNc1nccc2ccccc21 ZINC000624392378 353875644 /nfs/dbraw/zinc/87/56/44/353875644.db2.gz PYQUTSFMNRRYHB-UHFFFAOYSA-N 2 0 286.423 2.530 20 0 CFADRP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H]1CCCN1C)CC2 ZINC000624271768 353852467 /nfs/dbraw/zinc/85/24/67/353852467.db2.gz DCGIMYKPPFMWJZ-HOTGVXAUSA-N 2 0 258.409 2.975 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000625561848 354069910 /nfs/dbraw/zinc/06/99/10/354069910.db2.gz WUWVGHSNEZWGQP-NVXWUHKLSA-N 2 0 282.472 2.734 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@](C)(O)CC ZINC000626063320 354183207 /nfs/dbraw/zinc/18/32/07/354183207.db2.gz ZLVLBXUQPATESE-KRWDZBQOSA-N 2 0 278.440 2.731 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163437330 188607762 /nfs/dbraw/zinc/60/77/62/188607762.db2.gz DFPOWPSWAFSYMA-JSGCOSHPSA-N 2 0 264.438 2.825 20 0 CFADRP Fc1cccc2c1C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420367424 283021686 /nfs/dbraw/zinc/02/16/86/283021686.db2.gz VWFOMMPJPUCZMM-ZDUSSCGKSA-N 2 0 262.372 2.574 20 0 CFADRP CC[C@H]1CCCC[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000628175490 354460435 /nfs/dbraw/zinc/46/04/35/354460435.db2.gz ZCSNLBJTLDMSFG-IRXDYDNUSA-N 2 0 296.499 2.981 20 0 CFADRP CC(C)(C[NH2+]C[C@]1(C)CCCS1)C[NH+]1CCCC1 ZINC000628251359 354503163 /nfs/dbraw/zinc/50/31/63/354503163.db2.gz DGBPUGQSQABAFL-HNNXBMFYSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CS1 ZINC000628425799 354585920 /nfs/dbraw/zinc/58/59/20/354585920.db2.gz VTQWJUDMFHQCDC-ILXRZTDVSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000628425144 354586105 /nfs/dbraw/zinc/58/61/05/354586105.db2.gz BMPKMNADPKQHBN-NEPJUHHUSA-N 2 0 260.372 2.742 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000628477470 354599563 /nfs/dbraw/zinc/59/95/63/354599563.db2.gz XUBMZJMCEGNAGZ-RWMBFGLXSA-N 2 0 256.459 2.590 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000629530397 354832976 /nfs/dbraw/zinc/83/29/76/354832976.db2.gz FOLRZKPKYKJPOU-CHWSQXEVSA-N 2 0 284.831 2.658 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000629530400 354833078 /nfs/dbraw/zinc/83/30/78/354833078.db2.gz FOLRZKPKYKJPOU-STQMWFEESA-N 2 0 284.831 2.658 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000629529262 354833094 /nfs/dbraw/zinc/83/30/94/354833094.db2.gz WVUAPAMIVBUIJE-OAHLLOKOSA-N 2 0 299.418 2.635 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000629530673 354834001 /nfs/dbraw/zinc/83/40/01/354834001.db2.gz NFZJNKYQETVBMF-CYBMUJFWSA-N 2 0 276.380 2.628 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000629513704 354824668 /nfs/dbraw/zinc/82/46/68/354824668.db2.gz KKUIDTHNAGENOD-IAGOWNOFSA-N 2 0 270.420 2.808 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629517354 354825750 /nfs/dbraw/zinc/82/57/50/354825750.db2.gz MWCLWNQXFBHZOR-MNOVXSKESA-N 2 0 264.335 2.982 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCOCC2)C2CCC2)cc1 ZINC000629521809 354828003 /nfs/dbraw/zinc/82/80/03/354828003.db2.gz UVPAMAWXKJGJIQ-KRWDZBQOSA-N 2 0 288.435 2.934 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc21 ZINC000629522364 354828640 /nfs/dbraw/zinc/82/86/40/354828640.db2.gz YEBDWQMHVOLIKM-CJNGLKHVSA-N 2 0 274.408 2.723 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000629522837 354828716 /nfs/dbraw/zinc/82/87/16/354828716.db2.gz HQYJQJMGDLRFET-HUUCEWRRSA-N 2 0 275.440 2.645 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)nc1 ZINC000629523964 354828883 /nfs/dbraw/zinc/82/88/83/354828883.db2.gz ORZHMAJZOTZEKL-HUUCEWRRSA-N 2 0 275.440 2.645 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000629528654 354831896 /nfs/dbraw/zinc/83/18/96/354831896.db2.gz GDGNMWKSDQKJCU-CQSZACIVSA-N 2 0 290.407 2.936 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000629528511 354832181 /nfs/dbraw/zinc/83/21/81/354832181.db2.gz AZVUSYWBOJEEOU-OAHLLOKOSA-N 2 0 299.418 2.635 20 0 CFADRP COC1(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCCC1 ZINC000629655846 354879574 /nfs/dbraw/zinc/87/95/74/354879574.db2.gz XOYLMJNWGUJJMY-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)C[C@@H]21 ZINC000629646674 354874583 /nfs/dbraw/zinc/87/45/83/354874583.db2.gz BVAMVHSMYUCHAR-IXDOHACOSA-N 2 0 284.403 2.522 20 0 CFADRP COC1(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CCCC1 ZINC000629648334 354875344 /nfs/dbraw/zinc/87/53/44/354875344.db2.gz SOKOVWQYDUOSDR-ZDUSSCGKSA-N 2 0 262.397 2.755 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000629648145 354875449 /nfs/dbraw/zinc/87/54/49/354875449.db2.gz PUSHWLFFHXYALL-CYBMUJFWSA-N 2 0 255.365 2.700 20 0 CFADRP CC[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1F ZINC000629541015 354838570 /nfs/dbraw/zinc/83/85/70/354838570.db2.gz WUKAEVAQFWNXBT-CYBMUJFWSA-N 2 0 288.794 2.885 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000629539843 354838586 /nfs/dbraw/zinc/83/85/86/354838586.db2.gz ROVNBCJYWCHAJT-CQSZACIVSA-N 2 0 298.814 2.509 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCOCCC[NH3+])c1ccccc1 ZINC000629542167 354839508 /nfs/dbraw/zinc/83/95/08/354839508.db2.gz WHFCZJYVJKZRDG-MRXNPFEDSA-N 2 0 264.413 2.729 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)Cc1cc2ccccc2s1 ZINC000629652683 354878285 /nfs/dbraw/zinc/87/82/85/354878285.db2.gz CGAWURAOQFTKIS-UHFFFAOYSA-N 2 0 278.421 2.569 20 0 CFADRP Fc1ccc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629550600 354844712 /nfs/dbraw/zinc/84/47/12/354844712.db2.gz OSAKERHMOVUUMT-OCCSQVGLSA-N 2 0 280.362 2.754 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629654263 354878418 /nfs/dbraw/zinc/87/84/18/354878418.db2.gz GZVQXZNPDZJXCM-SDDRHHMPSA-N 2 0 266.351 2.882 20 0 CFADRP C[C@@H](N[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(Cl)cc1 ZINC000629553001 354845734 /nfs/dbraw/zinc/84/57/34/354845734.db2.gz DVQKHCYFOCPPHO-MISXGVKJSA-N 2 0 252.789 2.784 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629551757 354845927 /nfs/dbraw/zinc/84/59/27/354845927.db2.gz XBPJKRFNRFDKJD-IRXDYDNUSA-N 2 0 281.403 2.966 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000629559047 354847783 /nfs/dbraw/zinc/84/77/83/354847783.db2.gz PTMMYJUIDMSNIW-AWEZNQCLSA-N 2 0 298.377 2.859 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000629559048 354847877 /nfs/dbraw/zinc/84/78/77/354847877.db2.gz PTMMYJUIDMSNIW-CQSZACIVSA-N 2 0 298.377 2.859 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCC2CCC2)CC[C@@H]1C(F)(F)F ZINC000629560596 354848284 /nfs/dbraw/zinc/84/82/84/354848284.db2.gz DWVSVPLBRHIASD-RYUDHWBXSA-N 2 0 264.335 2.636 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000629570313 354849220 /nfs/dbraw/zinc/84/92/20/354849220.db2.gz CACIUDLUESJBLP-LBPRGKRZSA-N 2 0 270.804 2.569 20 0 CFADRP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCOCC[NH3+] ZINC000629577522 354849472 /nfs/dbraw/zinc/84/94/72/354849472.db2.gz BRZBTQJRLYSJSA-SNVBAGLBSA-N 2 0 291.222 2.962 20 0 CFADRP C[N@H+](CCOCC[NH3+])CC1CCC(c2ccccc2)CC1 ZINC000629581375 354849942 /nfs/dbraw/zinc/84/99/42/354849942.db2.gz YOJIJWVXJWTHRW-UHFFFAOYSA-N 2 0 290.451 2.868 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585278 354851407 /nfs/dbraw/zinc/85/14/07/354851407.db2.gz POBGAFVCLJKQRB-HDICACEKSA-N 2 0 272.436 2.859 20 0 CFADRP Cc1cccc([C@H](C)[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585157 354851834 /nfs/dbraw/zinc/85/18/34/354851834.db2.gz LRTVDCLVPRSNSO-BHYGNILZSA-N 2 0 258.409 2.987 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1F ZINC000629588431 354852331 /nfs/dbraw/zinc/85/23/31/354852331.db2.gz HSUGUEFHDQPOES-DZGCQCFKSA-N 2 0 292.398 2.623 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1F ZINC000629589428 354852451 /nfs/dbraw/zinc/85/24/51/354852451.db2.gz WHXUNYDXHVEMJW-ZFWWWQNUSA-N 2 0 292.398 2.623 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)cc1F ZINC000629589426 354852696 /nfs/dbraw/zinc/85/26/96/354852696.db2.gz WHXUNYDXHVEMJW-HIFRSBDPSA-N 2 0 292.398 2.623 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000629598115 354856644 /nfs/dbraw/zinc/85/66/44/354856644.db2.gz WMCNKASSZCQUHP-OKZBNKHCSA-N 2 0 270.420 2.995 20 0 CFADRP C[NH+](C)Cc1ccc(F)c(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000629737252 354915605 /nfs/dbraw/zinc/91/56/05/354915605.db2.gz PXQUHGSPAIRRCC-UHFFFAOYSA-N 2 0 291.395 2.657 20 0 CFADRP C[N@H+](CCOCC[NH3+])Cc1cccc(C2CCCC2)c1 ZINC000629662450 354882790 /nfs/dbraw/zinc/88/27/90/354882790.db2.gz FOIZPDLWQSHSMZ-UHFFFAOYSA-N 2 0 276.424 2.751 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000271773353 191316730 /nfs/dbraw/zinc/31/67/30/191316730.db2.gz CAIOQGLOWYWGDE-UHFFFAOYSA-N 2 0 255.365 2.519 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667786466 540119470 /nfs/dbraw/zinc/11/94/70/540119470.db2.gz RBDOTHNLSYAMIY-PVAVHDDUSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271870258 191381154 /nfs/dbraw/zinc/38/11/54/191381154.db2.gz MLLVARLQZUKXCR-CYBMUJFWSA-N 2 0 290.407 2.616 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631109598 355295884 /nfs/dbraw/zinc/29/58/84/355295884.db2.gz GDFUVJWPHAKWDF-UHFFFAOYSA-N 2 0 283.366 2.841 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1(C)C ZINC000631184988 355336863 /nfs/dbraw/zinc/33/68/63/355336863.db2.gz UGCKVASWUQDUMS-ZACQAIPSSA-N 2 0 288.435 2.979 20 0 CFADRP C1CC([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]2CCCO2)C1 ZINC000631254175 355376038 /nfs/dbraw/zinc/37/60/38/355376038.db2.gz KFECRDLKWQNSDU-TWMKSMIVSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccncc1 ZINC000631195871 355342901 /nfs/dbraw/zinc/34/29/01/355342901.db2.gz KYBQIKHDQLTXNV-VQIMIIECSA-N 2 0 295.430 2.939 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631570669 355493091 /nfs/dbraw/zinc/49/30/91/355493091.db2.gz WRKDTCGUYYAOJK-ZWKOTPCHSA-N 2 0 292.467 2.798 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631578674 355497788 /nfs/dbraw/zinc/49/77/88/355497788.db2.gz YPEKZENWKHQDQG-QGZVFWFLSA-N 2 0 273.424 2.781 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000631578690 355498647 /nfs/dbraw/zinc/49/86/47/355498647.db2.gz YVLKRIMQWAEALW-QGZVFWFLSA-N 2 0 274.408 2.614 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]CCN1CC[C@H](C)C1 ZINC000631585560 355503242 /nfs/dbraw/zinc/50/32/42/355503242.db2.gz MMJTUAZSDWAAQG-SUMWQHHRSA-N 2 0 274.408 2.614 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[NH+]1CCCC1 ZINC000631622567 355518985 /nfs/dbraw/zinc/51/89/85/355518985.db2.gz WRIFLYWFBNKNJR-JYJNAYRXSA-N 2 0 292.467 2.656 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCCc4ncccc43)ccc12 ZINC000631636293 355525304 /nfs/dbraw/zinc/52/53/04/355525304.db2.gz BVIHRPDSAPWLBY-KRWDZBQOSA-N 2 0 278.359 2.897 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887081 355615198 /nfs/dbraw/zinc/61/51/98/355615198.db2.gz LZZGAWRBZBJBQK-WBVHZDCISA-N 2 0 258.409 2.877 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000631827013 355596868 /nfs/dbraw/zinc/59/68/68/355596868.db2.gz CJKIKZRAAVTUQS-SJLPKXTDSA-N 2 0 287.451 2.971 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)n1 ZINC000631828972 355597072 /nfs/dbraw/zinc/59/70/72/355597072.db2.gz CVGSYPTXXKLHNC-SJKOYZFVSA-N 2 0 275.440 2.956 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)n1 ZINC000631829528 355597244 /nfs/dbraw/zinc/59/72/44/355597244.db2.gz SQKLYJQHEVCSAX-RDJZCZTQSA-N 2 0 273.424 2.568 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCC(F)(F)C1)CC[NH2+]CC2 ZINC000631828945 355597417 /nfs/dbraw/zinc/59/74/17/355597417.db2.gz CISQIGHOGBDFII-CHWSQXEVSA-N 2 0 272.383 2.886 20 0 CFADRP Fc1ccccc1OC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000631835558 355599130 /nfs/dbraw/zinc/59/91/30/355599130.db2.gz CMXISDHCAPBATL-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP FCCC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000631838050 355601802 /nfs/dbraw/zinc/60/18/02/355601802.db2.gz ZCKYJRQFXWYBIC-UHFFFAOYSA-N 2 0 256.409 2.838 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH3+] ZINC000631840087 355603178 /nfs/dbraw/zinc/60/31/78/355603178.db2.gz PJLOYBFHNOSFDY-DGCLKSJQSA-N 2 0 289.810 2.915 20 0 CFADRP Cc1ccc(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)on2)cc1 ZINC000631841556 355604010 /nfs/dbraw/zinc/60/40/10/355604010.db2.gz MIFHNZWSHUMYRD-UKRRQHHQSA-N 2 0 285.391 2.677 20 0 CFADRP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842323 355604146 /nfs/dbraw/zinc/60/41/46/355604146.db2.gz YTIBIEJFFZRHTK-UKRRQHHQSA-N 2 0 262.397 2.500 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CN1CCCc1ccc(Cl)cc1 ZINC000631858827 355606277 /nfs/dbraw/zinc/60/62/77/355606277.db2.gz DUOSZWFVXXMPPC-SMDDNHRTSA-N 2 0 252.789 2.694 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000631865883 355608887 /nfs/dbraw/zinc/60/88/87/355608887.db2.gz QIPZHNTZTJSMAV-UHFFFAOYSA-N 3 0 281.488 2.572 20 0 CFADRP Fc1cccc(O[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000631879002 355611531 /nfs/dbraw/zinc/61/15/31/355611531.db2.gz HQXHJSGRLGWYPQ-WMLDXEAASA-N 2 0 292.398 2.669 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)CC[N@@H+]1C ZINC000631730681 355567366 /nfs/dbraw/zinc/56/73/66/355567366.db2.gz ARIMEALTHYUZHE-PMPSAXMXSA-N 2 0 280.456 2.798 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888772 355614423 /nfs/dbraw/zinc/61/44/23/355614423.db2.gz ATURFIKTQDTYEN-DOTOQJQBSA-N 2 0 281.403 2.809 20 0 CFADRP c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888774 355614570 /nfs/dbraw/zinc/61/45/70/355614570.db2.gz ATURFIKTQDTYEN-RDJZCZTQSA-N 2 0 281.403 2.809 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2scnc2C2CC2)C1 ZINC000334399600 540190873 /nfs/dbraw/zinc/19/08/73/540190873.db2.gz DLEJWZQRSUNRAU-KGLIPLIRSA-N 2 0 291.464 2.937 20 0 CFADRP CN1CC[C@H]([NH2+][C@@H]2COCC2(C)C)C[C@H]1c1ccccc1 ZINC000453353944 540228398 /nfs/dbraw/zinc/22/83/98/540228398.db2.gz IABHLCXPPQAHRY-YESZJQIVSA-N 2 0 288.435 2.837 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000299942887 540229893 /nfs/dbraw/zinc/22/98/93/540229893.db2.gz WDCDUCOSVGVIKQ-CVEARBPZSA-N 2 0 269.392 2.884 20 0 CFADRP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(C)c1O ZINC000211280456 540236820 /nfs/dbraw/zinc/23/68/20/540236820.db2.gz HZQGAZZRTUDSFL-SJORKVTESA-N 2 0 288.435 2.925 20 0 CFADRP CCSCC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000273731650 192282424 /nfs/dbraw/zinc/28/24/24/192282424.db2.gz MWUTWLNZGJYDMW-QGZVFWFLSA-N 2 0 292.492 2.894 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000274372014 192559759 /nfs/dbraw/zinc/55/97/59/192559759.db2.gz KYMLUQGXOKEZQJ-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000086894744 540255587 /nfs/dbraw/zinc/25/55/87/540255587.db2.gz AMZJNNMAZSPEQG-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CCC[N@H+](CCN(C)c1ccccc1)C1CC[NH2+]CC1 ZINC000431066847 283231781 /nfs/dbraw/zinc/23/17/81/283231781.db2.gz OIUOQYQUSAIFSO-UHFFFAOYSA-N 2 0 275.440 2.587 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339067676 540283138 /nfs/dbraw/zinc/28/31/38/540283138.db2.gz BYDQBQGGJSSXGF-CVEARBPZSA-N 2 0 292.398 2.811 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070119 540283890 /nfs/dbraw/zinc/28/38/90/540283890.db2.gz WRRWOMURTXFWPI-SQNIBIBYSA-N 3 0 293.499 2.857 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccccc1F ZINC000339071176 540284014 /nfs/dbraw/zinc/28/40/14/540284014.db2.gz RTWIOLSVCXNWFV-ILXRZTDVSA-N 2 0 292.398 2.809 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000355222484 540297198 /nfs/dbraw/zinc/29/71/98/540297198.db2.gz NOFKGDMFRMAAEI-SJORKVTESA-N 2 0 288.435 2.920 20 0 CFADRP CCC[NH+]1CCC(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000151081230 540353803 /nfs/dbraw/zinc/35/38/03/540353803.db2.gz DIJJYTSVMPQIPA-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1COc2ccccc21 ZINC000415086426 299270217 /nfs/dbraw/zinc/27/02/17/299270217.db2.gz SEJCASLVLMJSSH-WLIAPVHPSA-N 2 0 274.408 2.658 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000250641702 540365195 /nfs/dbraw/zinc/36/51/95/540365195.db2.gz TZXDSKWECLPEBO-LRDDRELGSA-N 2 0 278.827 2.739 20 0 CFADRP COCc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000151227371 540368529 /nfs/dbraw/zinc/36/85/29/540368529.db2.gz QGKADMVYJCVXKQ-CYBMUJFWSA-N 2 0 294.414 2.792 20 0 CFADRP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000059716585 540368756 /nfs/dbraw/zinc/36/87/56/540368756.db2.gz YYQCYHUSKGQJLF-ZDUSSCGKSA-N 2 0 252.789 2.771 20 0 CFADRP C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595446 540377177 /nfs/dbraw/zinc/37/71/77/540377177.db2.gz QZYMDVQSZOWYBA-QZTJIDSGSA-N 3 0 293.499 2.859 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294687732 199134761 /nfs/dbraw/zinc/13/47/61/199134761.db2.gz AHXOICCQXFFFAY-QBZJXAITSA-N 2 0 286.419 2.923 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000336313434 291144960 /nfs/dbraw/zinc/14/49/60/291144960.db2.gz JLOSPDQRVABAHO-GOEBONIOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1cccc(Cl)c1F)C1C[NH2+]C1 ZINC000423053025 299277801 /nfs/dbraw/zinc/27/78/01/299277801.db2.gz RUHKICPVTDWWBF-JTQLQIEISA-N 2 0 284.806 2.954 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000294834224 199204107 /nfs/dbraw/zinc/20/41/07/199204107.db2.gz YRCSCBRNWQXISR-CQSZACIVSA-N 2 0 288.435 2.787 20 0 CFADRP CN(C)c1cc[nH+]cc1CNc1ccc2c([nH+]1)CCC2 ZINC000294841396 199208018 /nfs/dbraw/zinc/20/80/18/199208018.db2.gz MQUICHXWRKYJIV-UHFFFAOYSA-N 2 0 268.364 2.643 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000623451865 540432298 /nfs/dbraw/zinc/43/22/98/540432298.db2.gz NVWDOBOLDJMDGU-OAHLLOKOSA-N 2 0 276.424 2.966 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000422780062 283426157 /nfs/dbraw/zinc/42/61/57/283426157.db2.gz GSAYHWLIJHLKOH-UHFFFAOYSA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(Cl)cc1Br ZINC000125637811 283430795 /nfs/dbraw/zinc/43/07/95/283430795.db2.gz ZCGMBIDLJAAMBX-UHFFFAOYSA-N 2 0 291.620 2.931 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cnccn1 ZINC000157924818 299289208 /nfs/dbraw/zinc/28/92/08/299289208.db2.gz VZOPGUKTFURZMZ-CABCVRRESA-N 2 0 276.428 2.639 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000678600330 540466368 /nfs/dbraw/zinc/46/63/68/540466368.db2.gz KRJWVVYNOCUYQM-JKSUJKDBSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)CS1 ZINC000094470974 540450302 /nfs/dbraw/zinc/45/03/02/540450302.db2.gz MOTORQXNKMAOFS-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000094472612 540451886 /nfs/dbraw/zinc/45/18/86/540451886.db2.gz YMQAAMUVFHFDFJ-TZMCWYRMSA-N 2 0 256.459 2.735 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000152438440 540475257 /nfs/dbraw/zinc/47/52/57/540475257.db2.gz KCCICZJDUQVYSY-YVEFUNNKSA-N 2 0 274.383 2.887 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000422642376 237116850 /nfs/dbraw/zinc/11/68/50/237116850.db2.gz ZLMKNYVVXAVFCB-MGPQQGTHSA-N 2 0 280.387 2.510 20 0 CFADRP C[C@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422729577 237145038 /nfs/dbraw/zinc/14/50/38/237145038.db2.gz KXYOYGXSQFENPI-JQFCIGGWSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422735961 237148464 /nfs/dbraw/zinc/14/84/64/237148464.db2.gz FQEORINNARBTKR-XUJVJEKNSA-N 2 0 250.361 2.659 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000422736637 237149681 /nfs/dbraw/zinc/14/96/81/237149681.db2.gz YMJWZZXCOGLKQT-MSOLQXFVSA-N 2 0 298.434 2.539 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000422706634 237124776 /nfs/dbraw/zinc/12/47/76/237124776.db2.gz UQWONOWEIDVCOO-VHSSKADRSA-N 2 0 284.403 2.682 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704421 237125608 /nfs/dbraw/zinc/12/56/08/237125608.db2.gz PPZXZUYCYRYVBG-HUUCEWRRSA-N 2 0 276.428 2.523 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000422712994 237132112 /nfs/dbraw/zinc/13/21/12/237132112.db2.gz JHAXXOMFBZWOLS-GOEBONIOSA-N 2 0 293.430 2.630 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422717631 237135708 /nfs/dbraw/zinc/13/57/08/237135708.db2.gz VVJINKGHQSSUSU-YXJHDRRASA-N 2 0 272.436 2.985 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])N1CCc2ccccc21 ZINC000422722742 237137552 /nfs/dbraw/zinc/13/75/52/237137552.db2.gz YVPLQPYEWQMSMM-DJIMGWMZSA-N 2 0 287.451 2.545 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722692 237138664 /nfs/dbraw/zinc/13/86/64/237138664.db2.gz YNMQUWBMKDCOQP-SJORKVTESA-N 3 0 281.488 2.750 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000669699575 540515715 /nfs/dbraw/zinc/51/57/15/540515715.db2.gz YIZZBTJWNCOWIL-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251293759 540534947 /nfs/dbraw/zinc/53/49/47/540534947.db2.gz DFSFCPXXDDPUGN-MBNYWOFBSA-N 2 0 252.427 2.786 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000422768527 237184724 /nfs/dbraw/zinc/18/47/24/237184724.db2.gz UQZHGBJAUCOLRJ-JJXSEGSLSA-N 2 0 282.472 2.948 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422769393 237185424 /nfs/dbraw/zinc/18/54/24/237185424.db2.gz OYBZSEYFRWCVJU-QWHCGFSZSA-N 2 0 286.423 2.705 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000251515163 540537741 /nfs/dbraw/zinc/53/77/41/540537741.db2.gz JIYLDCGDBUTHIG-NEPJUHHUSA-N 2 0 252.789 2.942 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422770611 237186621 /nfs/dbraw/zinc/18/66/21/237186621.db2.gz UXEPGWQJQQCIII-HKJPBSJPSA-N 2 0 285.391 2.957 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422771467 237188171 /nfs/dbraw/zinc/18/81/71/237188171.db2.gz YFNWTLGJWXXTMU-GHMZBOCLSA-N 2 0 263.360 2.565 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000251540721 540538773 /nfs/dbraw/zinc/53/87/73/540538773.db2.gz ASMHSGWQEHCHAB-IOASZLSFSA-N 2 0 262.397 2.815 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000422748717 237161200 /nfs/dbraw/zinc/16/12/00/237161200.db2.gz VUBUCWQICUDLAE-SJORKVTESA-N 3 0 284.407 2.622 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422748099 237162394 /nfs/dbraw/zinc/16/23/94/237162394.db2.gz RYMZXTFEXMNELJ-ZTFGCOKTSA-N 2 0 287.451 2.681 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422753471 237170934 /nfs/dbraw/zinc/17/09/34/237170934.db2.gz IJFCJZGSBYHOHZ-HZPDHXFCSA-N 2 0 261.413 2.738 20 0 CFADRP C[C@H]([NH2+]CCCSc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422757450 237172860 /nfs/dbraw/zinc/17/28/60/237172860.db2.gz MUMWHPFSEMOMJR-ZFWWWQNUSA-N 2 0 264.438 2.899 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250825561 540531883 /nfs/dbraw/zinc/53/18/83/540531883.db2.gz WZBZAWNYQXQRSB-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000250873649 540532080 /nfs/dbraw/zinc/53/20/80/540532080.db2.gz GDKHVMWFLCQXTP-DLBZAZTESA-N 2 0 288.435 2.968 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000250873653 540532283 /nfs/dbraw/zinc/53/22/83/540532283.db2.gz GDKHVMWFLCQXTP-IAGOWNOFSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1F ZINC000422763576 237178602 /nfs/dbraw/zinc/17/86/02/237178602.db2.gz OWBCSECPNKTHGQ-NSHDSACASA-N 2 0 273.355 2.839 20 0 CFADRP COCc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000422763423 237178937 /nfs/dbraw/zinc/17/89/37/237178937.db2.gz NRJCLGNSQJWHPE-CJNGLKHVSA-N 2 0 280.387 2.579 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422763144 237179424 /nfs/dbraw/zinc/17/94/24/237179424.db2.gz SZAHDPWXLBZJJN-GOEBONIOSA-N 2 0 261.413 2.609 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422794686 237218216 /nfs/dbraw/zinc/21/82/16/237218216.db2.gz UQUJUMHZJXLOFJ-JZWPEALZSA-N 2 0 274.408 2.635 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000422794843 237218397 /nfs/dbraw/zinc/21/83/97/237218397.db2.gz GZNSBBFHFWXDQM-UWVGGRQHSA-N 2 0 258.312 2.503 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422796011 237218555 /nfs/dbraw/zinc/21/85/55/237218555.db2.gz XINHUKAAFRGDPQ-HLLBOEOZSA-N 2 0 276.424 2.869 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000422797274 237222581 /nfs/dbraw/zinc/22/25/81/237222581.db2.gz LTTCEIMDGRQNFK-PWSUYJOCSA-N 2 0 288.313 2.802 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422801612 237224264 /nfs/dbraw/zinc/22/42/64/237224264.db2.gz CDUUMKGWGIIDBI-FKJOKYEKSA-N 2 0 250.411 2.552 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1ccc(Cl)cc1 ZINC000422799815 237225595 /nfs/dbraw/zinc/22/55/95/237225595.db2.gz YPNXDAXVFZROQT-DDTOSNHZSA-N 2 0 268.788 2.577 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774313 237192734 /nfs/dbraw/zinc/19/27/34/237192734.db2.gz WOJBLULFYYLKII-WMLDXEAASA-N 2 0 288.435 2.953 20 0 CFADRP CC[C@H]1C[N@H+](CCSc2ccccc2)CC[C@H]1[NH3+] ZINC000251858295 540553329 /nfs/dbraw/zinc/55/33/29/540553329.db2.gz SMUMRLGWVSQNEP-DZGCQCFKSA-N 2 0 264.438 2.838 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000422783086 237201068 /nfs/dbraw/zinc/20/10/68/237201068.db2.gz KNXYTHLLDJCEST-CABCVRRESA-N 2 0 250.361 2.618 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435788721 240353481 /nfs/dbraw/zinc/35/34/81/240353481.db2.gz FRXMUHRJJHOBBF-JXFSHQFZSA-N 2 0 262.372 2.611 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Sc1ccccc1 ZINC000422783781 237204609 /nfs/dbraw/zinc/20/46/09/237204609.db2.gz HVZFBWPCAZLQOD-KWCYVHTRSA-N 2 0 250.411 2.637 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Sc1ccccc1 ZINC000422785766 237205605 /nfs/dbraw/zinc/20/56/05/237205605.db2.gz JYXSCSGUGGRZFI-UMVBOHGHSA-N 2 0 264.438 2.884 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000422785657 237206334 /nfs/dbraw/zinc/20/63/34/237206334.db2.gz NQINKGPZUDAYBX-BXUZGUMPSA-N 2 0 270.804 2.745 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422786231 237208530 /nfs/dbraw/zinc/20/85/30/237208530.db2.gz KLUIGOBCQCZFNL-JZWPEALZSA-N 2 0 274.408 2.635 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422789638 237211021 /nfs/dbraw/zinc/21/10/21/237211021.db2.gz OQUUCVDKFASSFY-ILXRZTDVSA-N 2 0 292.423 2.712 20 0 CFADRP COc1ccc([C@@H](C)CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422790615 237211637 /nfs/dbraw/zinc/21/16/37/237211637.db2.gz XQLIJRFVYHDDKI-GRDNDAEWSA-N 2 0 276.424 2.919 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000422790484 237213065 /nfs/dbraw/zinc/21/30/65/237213065.db2.gz CBZAIKWDWWBDNP-UHFFFAOYSA-N 2 0 284.350 2.895 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCO[C@@H](C)c1ccccc1 ZINC000422791369 237213308 /nfs/dbraw/zinc/21/33/08/237213308.db2.gz UYPMXQOGAKGCBH-ZNMIVQPWSA-N 2 0 264.413 2.870 20 0 CFADRP C[C@H](OCCC[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422792191 237214651 /nfs/dbraw/zinc/21/46/51/237214651.db2.gz VRXMQHBSCRGBLQ-IMJJTQAJSA-N 2 0 262.397 2.624 20 0 CFADRP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422793268 237216564 /nfs/dbraw/zinc/21/65/64/237216564.db2.gz WWYISKNERHFKJO-QXULXFAOSA-N 2 0 294.826 2.900 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422816542 237243069 /nfs/dbraw/zinc/24/30/69/237243069.db2.gz AQTMVNHOPITTRJ-ZDUSSCGKSA-N 2 0 292.423 2.800 20 0 CFADRP C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422823086 237252979 /nfs/dbraw/zinc/25/29/79/237252979.db2.gz LAXAAINWHVEHJU-QAPCUYQASA-N 2 0 293.499 2.904 20 0 CFADRP Cc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)cs1 ZINC000297055637 200073290 /nfs/dbraw/zinc/07/32/90/200073290.db2.gz YUDALBIFBYYNGN-CQSZACIVSA-N 2 0 252.427 2.973 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422827126 237254210 /nfs/dbraw/zinc/25/42/10/237254210.db2.gz DCZUZXHUYZVTPI-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000252412654 540562617 /nfs/dbraw/zinc/56/26/17/540562617.db2.gz AKORBNWFWFHIJG-IAGOWNOFSA-N 2 0 286.419 2.586 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCCOc1ccc(F)cc1 ZINC000422825973 237254331 /nfs/dbraw/zinc/25/43/31/237254331.db2.gz BGEXHKUBECFHDR-CHWSQXEVSA-N 2 0 268.376 2.700 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCOCc1ccccc1 ZINC000422837588 237263187 /nfs/dbraw/zinc/26/31/87/237263187.db2.gz MHNNJCDYXKBNGK-LSDHHAIUSA-N 2 0 264.413 2.699 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000422804816 237231196 /nfs/dbraw/zinc/23/11/96/237231196.db2.gz FTTSRQFJIXEYAY-GBJTYRQASA-N 2 0 268.445 2.558 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000422812687 237239579 /nfs/dbraw/zinc/23/95/79/237239579.db2.gz YFVFOZZGJQENIH-ROUUACIJSA-N 2 0 298.434 2.681 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000422814549 237240366 /nfs/dbraw/zinc/24/03/66/237240366.db2.gz VJDVQBVKOXSEGH-IRXDYDNUSA-N 2 0 276.424 2.790 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422812987 237240437 /nfs/dbraw/zinc/24/04/37/237240437.db2.gz YTYGJQKMNTWDBE-LXZKKBNFSA-N 2 0 258.409 2.837 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422855653 237277014 /nfs/dbraw/zinc/27/70/14/237277014.db2.gz CXKLTAXFHNPICI-NVXWUHKLSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422862389 237281346 /nfs/dbraw/zinc/28/13/46/237281346.db2.gz NSBYEWWFLQXWHN-BRWVUGGUSA-N 2 0 281.488 2.619 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666955453 540597203 /nfs/dbraw/zinc/59/72/03/540597203.db2.gz LNKZPAJIHIIGJH-GRYCIOLGSA-N 2 0 276.346 2.839 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422838458 237264895 /nfs/dbraw/zinc/26/48/95/237264895.db2.gz OLKBJZZWNSRUSL-NBOOPKSLSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@H]([NH2+]CCCc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422882041 237303233 /nfs/dbraw/zinc/30/32/33/237303233.db2.gz AATJUBMFWBEGQU-BBRMVZONSA-N 2 0 271.408 2.831 20 0 CFADRP Cc1ccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])N2CCCC2)o1 ZINC000422884158 237306163 /nfs/dbraw/zinc/30/61/63/237306163.db2.gz WJGSGCWHSMJDPJ-GDBMZVCRSA-N 2 0 293.455 2.832 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422886294 237307127 /nfs/dbraw/zinc/30/71/27/237307127.db2.gz ITNYXMXEMUTFGX-SNVBAGLBSA-N 2 0 256.777 2.566 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422887645 237308750 /nfs/dbraw/zinc/30/87/50/237308750.db2.gz LETFXJIRBWELAG-GYVWXKFASA-N 2 0 272.392 2.555 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422887342 237309498 /nfs/dbraw/zinc/30/94/98/237309498.db2.gz KOEXZALGYYOFNW-NVXWUHKLSA-N 2 0 298.434 2.706 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422899097 237318146 /nfs/dbraw/zinc/31/81/46/237318146.db2.gz NTWONYHKMIGJPJ-CVEARBPZSA-N 2 0 262.397 2.623 20 0 CFADRP Fc1cccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422903547 237324886 /nfs/dbraw/zinc/32/48/86/237324886.db2.gz FOJUABOOHLIHRI-XYPWUTKMSA-N 2 0 262.372 2.631 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422911580 237335737 /nfs/dbraw/zinc/33/57/37/237335737.db2.gz LBWFZZFDHVDZQV-HOCLYGCPSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000422881875 237302123 /nfs/dbraw/zinc/30/21/23/237302123.db2.gz ZKVLYOSDLSBJMI-BLLLJJGKSA-N 2 0 289.423 2.943 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1Cl ZINC000422946164 237374485 /nfs/dbraw/zinc/37/44/85/237374485.db2.gz WACRUFRUAZCSLF-SMDDNHRTSA-N 2 0 282.815 2.826 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC000422911401 237338527 /nfs/dbraw/zinc/33/85/27/237338527.db2.gz KSVSOFJYOOCAEK-KRWDZBQOSA-N 2 0 258.409 2.658 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422914038 237341309 /nfs/dbraw/zinc/34/13/09/237341309.db2.gz ZXIJQPIGFHOCNS-QWHCGFSZSA-N 2 0 293.480 2.672 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@H](C)CCCC[NH3+])CC2)n1 ZINC000422917157 237345899 /nfs/dbraw/zinc/34/58/99/237345899.db2.gz CRYLSJOKHJHLJX-LMWSTFAQSA-N 2 0 280.416 2.511 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297331888 200152033 /nfs/dbraw/zinc/15/20/33/200152033.db2.gz JBRIWPWIRBAOFA-ROUUACIJSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422947487 237377864 /nfs/dbraw/zinc/37/78/64/237377864.db2.gz QGLOYCNBGKXYCW-WBVHZDCISA-N 2 0 276.424 2.660 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957391 237385437 /nfs/dbraw/zinc/38/54/37/237385437.db2.gz TVJBAEBZQDIYOR-NHYWBVRUSA-N 2 0 284.806 2.999 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000422958979 237385565 /nfs/dbraw/zinc/38/55/65/237385565.db2.gz ZVBFSRKZWCNFRJ-KBPBESRZSA-N 2 0 287.407 2.719 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422956608 237386783 /nfs/dbraw/zinc/38/67/83/237386783.db2.gz LPLUPDQWWFRFFE-WDEREUQCSA-N 2 0 285.229 2.973 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCOc1cccc2cccnc21 ZINC000422958982 237390244 /nfs/dbraw/zinc/39/02/44/237390244.db2.gz ZVBFSRKZWCNFRJ-ZIAGYGMSSA-N 2 0 287.407 2.719 20 0 CFADRP CCOc1ncccc1CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422964236 237394120 /nfs/dbraw/zinc/39/41/20/237394120.db2.gz KVGACEWMRZMOJW-ZBFHGGJFSA-N 2 0 291.439 2.881 20 0 CFADRP CCOc1ncccc1CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422964233 237395308 /nfs/dbraw/zinc/39/53/08/237395308.db2.gz KVGACEWMRZMOJW-GDBMZVCRSA-N 2 0 291.439 2.881 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000422969647 237396665 /nfs/dbraw/zinc/39/66/65/237396665.db2.gz VAIBZQZGPGSDGF-QSPRXWTASA-N 2 0 258.409 2.910 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCO[C@H]1C1CC1 ZINC000423051747 237483239 /nfs/dbraw/zinc/48/32/39/237483239.db2.gz OZACQOIBDYKRNJ-MDMSPXHWSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000423025783 237451574 /nfs/dbraw/zinc/45/15/74/237451574.db2.gz MLYVJTTXOQKSIT-HUUCEWRRSA-N 2 0 276.424 2.841 20 0 CFADRP C[N@@H+](Cc1csc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000259031373 540676666 /nfs/dbraw/zinc/67/66/66/540676666.db2.gz ZSYXLEZOOYIKID-GFCCVEGCSA-N 2 0 260.406 2.943 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000162069713 540702241 /nfs/dbraw/zinc/70/22/41/540702241.db2.gz VCDHZOBSKGMIRG-HUUCEWRRSA-N 2 0 274.408 2.614 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000177301814 189042869 /nfs/dbraw/zinc/04/28/69/189042869.db2.gz YMFISUWPWOFEMQ-ZIAGYGMSSA-N 2 0 295.858 2.627 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C(C)(C)c1ccccc1 ZINC000415089828 299308826 /nfs/dbraw/zinc/30/88/26/299308826.db2.gz XCTHSSDFUBENHQ-LSDHHAIUSA-N 2 0 260.425 2.942 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000177953547 189081571 /nfs/dbraw/zinc/08/15/71/189081571.db2.gz LSQWLQAFZYVIKW-JYJNAYRXSA-N 2 0 276.424 2.692 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000177953570 189081644 /nfs/dbraw/zinc/08/16/44/189081644.db2.gz LSQWLQAFZYVIKW-XHSDSOJGSA-N 2 0 276.424 2.692 20 0 CFADRP COc1ccccc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000154580369 540751526 /nfs/dbraw/zinc/75/15/26/540751526.db2.gz LBACWKWMSQUTRM-CQSZACIVSA-N 2 0 276.424 2.558 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000178236647 189099996 /nfs/dbraw/zinc/09/99/96/189099996.db2.gz IDMXFCYFBXAIFZ-WBVHZDCISA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000383810840 540771903 /nfs/dbraw/zinc/77/19/03/540771903.db2.gz FBQOBKWMAXGHJE-MRXNPFEDSA-N 2 0 282.472 2.734 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)[C@H](C)C1 ZINC000178473385 189119464 /nfs/dbraw/zinc/11/94/64/189119464.db2.gz CNWQMUGFBLXPCE-CZUORRHYSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc([S@](C)=O)cc1 ZINC000178413625 189114576 /nfs/dbraw/zinc/11/45/76/189114576.db2.gz DHPJPHGEPXPQAA-XOBRGWDASA-N 2 0 294.464 2.561 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422759219 296020556 /nfs/dbraw/zinc/02/05/56/296020556.db2.gz KMZWXPPECBQJHI-ZIAGYGMSSA-N 2 0 294.414 2.589 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423158868 296020648 /nfs/dbraw/zinc/02/06/48/296020648.db2.gz XGKSCBZHMYHXGA-HZPDHXFCSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000178973952 189158559 /nfs/dbraw/zinc/15/85/59/189158559.db2.gz JFUPXKCKDPJBDN-YOEHRIQHSA-N 2 0 258.409 2.864 20 0 CFADRP C([C@H]1CCC[N@@H+]([C@H]2CCCOC2)C1)[NH+]1CCCCCC1 ZINC000674303410 540821051 /nfs/dbraw/zinc/82/10/51/540821051.db2.gz WNMUUCRTCUVUOP-SJORKVTESA-N 2 0 280.456 2.753 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000423096706 238198409 /nfs/dbraw/zinc/19/84/09/238198409.db2.gz IDHXKFASYGLPBH-DYEKYZERSA-N 2 0 261.413 2.936 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2ccccc21 ZINC000423098621 238200069 /nfs/dbraw/zinc/20/00/69/238200069.db2.gz CZEBSLTYNNLAGT-WMZOPIPTSA-N 2 0 292.386 2.840 20 0 CFADRP c1csc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178956073 189157540 /nfs/dbraw/zinc/15/75/40/189157540.db2.gz SGPZPESVDYSRBW-HNNXBMFYSA-N 2 0 294.464 2.729 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000435874701 240365081 /nfs/dbraw/zinc/36/50/81/240365081.db2.gz MUGYTWHCGDFYAP-OCCSQVGLSA-N 2 0 250.361 2.613 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000435882002 240364999 /nfs/dbraw/zinc/36/49/99/240364999.db2.gz RKLNSGQGRJPYCM-CQSZACIVSA-N 2 0 266.816 2.956 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000423123442 238215087 /nfs/dbraw/zinc/21/50/87/238215087.db2.gz DQVWNXFQNIMZEK-DOTOQJQBSA-N 2 0 276.424 2.716 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414908963 540830498 /nfs/dbraw/zinc/83/04/98/540830498.db2.gz BQONNPDJNMZNBF-HUUCEWRRSA-N 2 0 288.370 2.575 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000414912202 540830518 /nfs/dbraw/zinc/83/05/18/540830518.db2.gz HMTGIUBJUSHWDX-CFVMTHIKSA-N 2 0 292.423 2.581 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414930041 540831022 /nfs/dbraw/zinc/83/10/22/540831022.db2.gz SFQNQNPLXQODTI-VXGBXAGGSA-N 2 0 268.788 2.708 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000414925190 540831272 /nfs/dbraw/zinc/83/12/72/540831272.db2.gz LKIDQOBNZAJAAS-GJZGRUSLSA-N 2 0 298.390 2.628 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423130641 238219314 /nfs/dbraw/zinc/21/93/14/238219314.db2.gz MZWAIJYXDSRSIJ-FVQBIDKESA-N 2 0 291.414 2.654 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415036690 540833219 /nfs/dbraw/zinc/83/32/19/540833219.db2.gz GCKNLINETQXSSL-KGLIPLIRSA-N 2 0 291.464 2.985 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415074108 540833786 /nfs/dbraw/zinc/83/37/86/540833786.db2.gz BYQOCHIJIFPIBW-GOEBONIOSA-N 2 0 276.424 2.748 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415074109 540833870 /nfs/dbraw/zinc/83/38/70/540833870.db2.gz BYQOCHIJIFPIBW-HOCLYGCPSA-N 2 0 276.424 2.748 20 0 CFADRP [NH3+]CCC[NH2+]Cc1cccc(COCc2ccccc2)c1 ZINC000415080213 540834093 /nfs/dbraw/zinc/83/40/93/540834093.db2.gz LKOLUAFHCBEDHW-UHFFFAOYSA-N 2 0 284.403 2.842 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000415077718 540834103 /nfs/dbraw/zinc/83/41/03/540834103.db2.gz HXZXYWOHAZGJSK-INIZCTEOSA-N 2 0 288.366 2.884 20 0 CFADRP CSCc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423115009 238207435 /nfs/dbraw/zinc/20/74/35/238207435.db2.gz WVIVRUGCWHIKBW-GFCCVEGCSA-N 2 0 252.427 2.767 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116751 238208268 /nfs/dbraw/zinc/20/82/68/238208268.db2.gz RKKSUHNIIGFQIM-WBMJQRKESA-N 2 0 289.398 2.957 20 0 CFADRP c1cc2c(cccc2CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]1 ZINC000423114892 238209134 /nfs/dbraw/zinc/20/91/34/238209134.db2.gz MKHFIFHQXHUCKV-YIONKMFJSA-N 2 0 269.392 2.583 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c(C)c1OC ZINC000423118765 238211018 /nfs/dbraw/zinc/21/10/18/238211018.db2.gz CEVYOSMWVCJBLS-WCQYABFASA-N 2 0 280.412 2.790 20 0 CFADRP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000423118484 238211189 /nfs/dbraw/zinc/21/11/89/238211189.db2.gz ATFPGFXVZSSJKY-ZLMZNLFFSA-N 2 0 299.462 2.522 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423139100 238227375 /nfs/dbraw/zinc/22/73/75/238227375.db2.gz KJTOGRMYPBRNMO-GJZGRUSLSA-N 2 0 275.440 2.917 20 0 CFADRP C[NH2+]CCCN1CCC[C@@H](c2nc(C)c(C)s2)C1 ZINC000435883658 240366273 /nfs/dbraw/zinc/36/62/73/240366273.db2.gz AFIYDMWLWIQNJU-CYBMUJFWSA-N 2 0 267.442 2.549 20 0 CFADRP Cc1cc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000423142785 238228440 /nfs/dbraw/zinc/22/84/40/238228440.db2.gz VXHITMMZYLEVRY-NWDGAFQWSA-N 2 0 254.805 2.906 20 0 CFADRP CSc1ccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423145740 238231533 /nfs/dbraw/zinc/23/15/33/238231533.db2.gz MFBLJGCFORAPGJ-CZUORRHYSA-N 2 0 295.496 2.728 20 0 CFADRP CSc1ccc([C@@H](C[NH2+][C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000423145741 238231622 /nfs/dbraw/zinc/23/16/22/238231622.db2.gz MFBLJGCFORAPGJ-XJKSGUPXSA-N 2 0 295.496 2.728 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000423152404 238235967 /nfs/dbraw/zinc/23/59/67/238235967.db2.gz DYSQCZZMGVSBOT-PWSUYJOCSA-N 2 0 287.329 2.708 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423149015 238236231 /nfs/dbraw/zinc/23/62/31/238236231.db2.gz HDSMQMQUEUCOBK-CGTJXYLNSA-N 2 0 287.451 2.833 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670266974 540847551 /nfs/dbraw/zinc/84/75/51/540847551.db2.gz LCRWFFTZTYBUJF-CVEARBPZSA-N 2 0 283.504 2.532 20 0 CFADRP C[C@H](c1nc(C2([NH3+])CCCC2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000435910500 240368011 /nfs/dbraw/zinc/36/80/11/240368011.db2.gz XBDNTAQWQNWUCJ-WCQYABFASA-N 2 0 286.379 2.601 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423155471 238240401 /nfs/dbraw/zinc/24/04/01/238240401.db2.gz LEJLXFBIJJWGHA-ZDUSSCGKSA-N 2 0 290.386 2.619 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423136764 238224635 /nfs/dbraw/zinc/22/46/35/238224635.db2.gz HMMIYRNJPYSBJV-CABCVRRESA-N 2 0 275.440 2.775 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423166044 238246127 /nfs/dbraw/zinc/24/61/27/238246127.db2.gz BWKQDXONFZAUSD-KTFSGNIMSA-N 2 0 273.424 2.665 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423164768 238246584 /nfs/dbraw/zinc/24/65/84/238246584.db2.gz ADWFAMIFVDZNBI-ARLBYUKCSA-N 2 0 262.372 2.931 20 0 CFADRP Cc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423196349 238271213 /nfs/dbraw/zinc/27/12/13/238271213.db2.gz ZQWBYMAKDXBJNT-BXUZGUMPSA-N 2 0 297.240 2.975 20 0 CFADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000423200467 238272945 /nfs/dbraw/zinc/27/29/45/238272945.db2.gz FTKSZRRWYGVTGJ-HNNXBMFYSA-N 2 0 289.467 2.540 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CCCCCC1 ZINC000423200964 238273900 /nfs/dbraw/zinc/27/39/00/238273900.db2.gz NRPCZLFUKJYNJK-VXGBXAGGSA-N 2 0 294.361 2.738 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000387542783 540867133 /nfs/dbraw/zinc/86/71/33/540867133.db2.gz PNHOQVCOJURLIE-OAHLLOKOSA-N 2 0 266.429 2.552 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1OC ZINC000423227161 238291887 /nfs/dbraw/zinc/29/18/87/238291887.db2.gz URFDUAMRSVSJQQ-XQQFMLRXSA-N 2 0 280.412 2.523 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166564695 540888610 /nfs/dbraw/zinc/88/86/10/540888610.db2.gz BQHUSAGGZLVTPS-IXDOHACOSA-N 2 0 270.420 2.933 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000423231587 238295620 /nfs/dbraw/zinc/29/56/20/238295620.db2.gz GXYAQOVHMYOCHI-SJORKVTESA-N 2 0 260.425 2.904 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423239632 238300215 /nfs/dbraw/zinc/30/02/15/238300215.db2.gz BOMPQUGAQPCWFN-NEPJUHHUSA-N 2 0 264.438 2.887 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423236644 238297441 /nfs/dbraw/zinc/29/74/41/238297441.db2.gz OUFKKGHICLTOIR-AKHDSKFASA-N 2 0 299.462 2.524 20 0 CFADRP C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000423237277 238298573 /nfs/dbraw/zinc/29/85/73/238298573.db2.gz IAVRBLFUAWLRQG-SWLSCSKDSA-N 2 0 284.359 2.766 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000423212422 238281340 /nfs/dbraw/zinc/28/13/40/238281340.db2.gz LVPRPWIVGZWKBQ-XHDPSFHLSA-N 2 0 264.800 2.917 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423220378 238284605 /nfs/dbraw/zinc/28/46/05/238284605.db2.gz YHYUPTRHYANNJR-DYVFJYSZSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000423220084 238284895 /nfs/dbraw/zinc/28/48/95/238284895.db2.gz XWTBGFVTLFIQHY-QWRGUYRKSA-N 2 0 254.324 2.615 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423238736 238299876 /nfs/dbraw/zinc/29/98/76/238299876.db2.gz AUGNGGIYVAXSLZ-LRDDRELGSA-N 2 0 262.372 2.866 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC(CC)(CC)CCO)CC1 ZINC000155326864 540882605 /nfs/dbraw/zinc/88/26/05/540882605.db2.gz UUROOCYYKMWBNS-UHFFFAOYSA-N 2 0 270.461 2.639 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423245018 238304984 /nfs/dbraw/zinc/30/49/84/238304984.db2.gz IJNAKOCGOVRSEQ-ZBFHGGJFSA-N 2 0 298.434 2.831 20 0 CFADRP Fc1cccc2c1SCC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249540 238308434 /nfs/dbraw/zinc/30/84/34/238308434.db2.gz OSLPDFPOCBSIMV-FZMZJTMJSA-N 2 0 280.412 2.952 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000353524259 540913462 /nfs/dbraw/zinc/91/34/62/540913462.db2.gz CTTFFWXSHWOZAT-CQSZACIVSA-N 2 0 278.444 2.818 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000353634239 540914687 /nfs/dbraw/zinc/91/46/87/540914687.db2.gz VCJCPTHIDAITJS-HZPDHXFCSA-N 2 0 291.439 2.546 20 0 CFADRP CCC1CCC([N@H+](C)C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000389053878 540931798 /nfs/dbraw/zinc/93/17/98/540931798.db2.gz HYJHZTPTTQQSAD-UYSNPLJNSA-N 2 0 270.461 2.588 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)oc1C ZINC000423267451 238326147 /nfs/dbraw/zinc/32/61/47/238326147.db2.gz FBTCTPSEDVRPPG-GXTWGEPZSA-N 2 0 250.386 2.937 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423276574 238335817 /nfs/dbraw/zinc/33/58/17/238335817.db2.gz NDGZJIGUWVLJDE-CQSZACIVSA-N 2 0 256.434 2.704 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C[NH3+])C1 ZINC000423310278 238364804 /nfs/dbraw/zinc/36/48/04/238364804.db2.gz RRMULSCDCFHCTQ-CFVMTHIKSA-N 2 0 261.413 2.601 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423314403 238367415 /nfs/dbraw/zinc/36/74/15/238367415.db2.gz HBJSOCPRDXLANW-BMIGLBTASA-N 2 0 268.351 2.613 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C1CC[NH+](C)CC1 ZINC000157605732 540955868 /nfs/dbraw/zinc/95/58/68/540955868.db2.gz OWMSVCGOTYCDQQ-OAHLLOKOSA-N 2 0 298.434 2.692 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000423294088 238351494 /nfs/dbraw/zinc/35/14/94/238351494.db2.gz BGGIWBALSLECRY-GXFFZTMASA-N 2 0 290.329 2.577 20 0 CFADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000423290471 238351737 /nfs/dbraw/zinc/35/17/37/238351737.db2.gz DCDHDIHJPNOHPC-CHWSQXEVSA-N 2 0 272.396 2.774 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423297386 238353582 /nfs/dbraw/zinc/35/35/82/238353582.db2.gz KBJIQACCSSSWOV-NXEZZACHSA-N 2 0 258.312 2.533 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423298900 238357303 /nfs/dbraw/zinc/35/73/03/238357303.db2.gz PEEQLSOGHWOTMR-NXEZZACHSA-N 2 0 269.458 2.994 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000423298281 238357351 /nfs/dbraw/zinc/35/73/51/238357351.db2.gz NXDQMNRERXXRPN-RKDXNWHRSA-N 2 0 289.192 2.834 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423298903 238357653 /nfs/dbraw/zinc/35/76/53/238357653.db2.gz PEEQLSOGHWOTMR-ZJUUUORDSA-N 2 0 269.458 2.994 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423302081 238358781 /nfs/dbraw/zinc/35/87/81/238358781.db2.gz GULDWRYTZKZOKP-APPZFPTMSA-N 2 0 289.242 2.682 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cnn1-c1ccc(F)cc1 ZINC000423302537 238359923 /nfs/dbraw/zinc/35/99/23/238359923.db2.gz VRGAEZBLIPXWMJ-RYUDHWBXSA-N 2 0 290.386 2.565 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000423302706 238360124 /nfs/dbraw/zinc/36/01/24/238360124.db2.gz HZQGQTGHVYYFRQ-HTQZYQBOSA-N 2 0 277.231 2.756 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000423306068 238360693 /nfs/dbraw/zinc/36/06/93/238360693.db2.gz LDDXDTLSSGDPTL-ZWNOBZJWSA-N 2 0 268.788 2.738 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423304464 238362583 /nfs/dbraw/zinc/36/25/83/238362583.db2.gz YXNXHGLLPAIEMN-BXKDBHETSA-N 2 0 254.374 2.547 20 0 CFADRP CC/C=C\CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000588476348 540968411 /nfs/dbraw/zinc/96/84/11/540968411.db2.gz BIZGCYVYGQIGTI-LFLSJQGVSA-N 2 0 291.483 2.586 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CCC1 ZINC000423325742 238378862 /nfs/dbraw/zinc/37/88/62/238378862.db2.gz LLZQPLTZMYBVGZ-HNNXBMFYSA-N 2 0 260.381 2.544 20 0 CFADRP CCOC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000312002571 540970056 /nfs/dbraw/zinc/97/00/56/540970056.db2.gz HBFURTUVOOIJEL-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CC2 ZINC000423327575 238380167 /nfs/dbraw/zinc/38/01/67/238380167.db2.gz LLAPBQGRARFVFN-IRXDYDNUSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@@]1(C[NH2+]C(C2CCC2)C2CCC2)CCC[NH2+]C1 ZINC000423330762 238383396 /nfs/dbraw/zinc/38/33/96/238383396.db2.gz GFMOQHLTFNLANC-MRXNPFEDSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000158690631 540976660 /nfs/dbraw/zinc/97/66/60/540976660.db2.gz KGZJFXJKJJPIMQ-ZACQAIPSSA-N 3 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CC1(C)C ZINC000666090261 540976867 /nfs/dbraw/zinc/97/68/67/540976867.db2.gz SEYHBXFBSVEOGU-OIISXLGYSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000423333147 238385981 /nfs/dbraw/zinc/38/59/81/238385981.db2.gz DVMDDTBCNGGTNE-ZDUSSCGKSA-N 2 0 256.393 2.746 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423334761 238386685 /nfs/dbraw/zinc/38/66/85/238386685.db2.gz RDLRBRBRWOSTMD-CYBMUJFWSA-N 2 0 292.471 2.987 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cccc2cnccc21 ZINC000061125584 540979309 /nfs/dbraw/zinc/97/93/09/540979309.db2.gz FRRDTILZCFEBOF-UHFFFAOYSA-N 2 0 257.381 2.666 20 0 CFADRP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000423324589 238374226 /nfs/dbraw/zinc/37/42/26/238374226.db2.gz KPOUWLXRKJWXSB-BCDXTJNWSA-N 2 0 299.462 2.653 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000158014421 540965554 /nfs/dbraw/zinc/96/55/54/540965554.db2.gz BZVQRSUCLUUFFL-LLVKDONJSA-N 2 0 281.469 2.622 20 0 CFADRP C[C@H]([NH2+]CCCC[NH3+])c1ccccc1OC(F)(F)F ZINC000423322295 238375023 /nfs/dbraw/zinc/37/50/23/238375023.db2.gz GLIRJFSVCWFJKI-JTQLQIEISA-N 2 0 276.302 2.975 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423349998 238398959 /nfs/dbraw/zinc/39/89/59/238398959.db2.gz YGCWBQLCNSYEAW-GFCCVEGCSA-N 2 0 264.800 2.780 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423350198 238399378 /nfs/dbraw/zinc/39/93/78/238399378.db2.gz YTSIMMLFAKSDBV-INIZCTEOSA-N 2 0 260.356 2.786 20 0 CFADRP Cc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423339666 238391736 /nfs/dbraw/zinc/39/17/36/238391736.db2.gz JCDSZVUXWWFTLW-KRWDZBQOSA-N 2 0 256.393 2.955 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423343660 238393029 /nfs/dbraw/zinc/39/30/29/238393029.db2.gz MEEFMTDFDFAJOJ-SFHVURJKSA-N 2 0 286.419 2.526 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000423343484 238393469 /nfs/dbraw/zinc/39/34/69/238393469.db2.gz DNEYORKWAUJMQJ-AWEZNQCLSA-N 2 0 296.418 2.657 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)ccc1F ZINC000423346781 238395186 /nfs/dbraw/zinc/39/51/86/238395186.db2.gz PPRXDUYHEARNFT-JTQLQIEISA-N 2 0 252.308 2.535 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423335719 299321624 /nfs/dbraw/zinc/32/16/24/299321624.db2.gz RWVGJPRKRAHKNC-SUMWQHHRSA-N 2 0 293.430 2.932 20 0 CFADRP FCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423422600 238450320 /nfs/dbraw/zinc/45/03/20/238450320.db2.gz BNAIGSFWWBVKSF-QKPAOTATSA-N 2 0 268.420 2.883 20 0 CFADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC[C@@H]2CCCC[NH+]2C)C[C@@H](C)C1 ZINC000429018386 297305774 /nfs/dbraw/zinc/30/57/74/297305774.db2.gz GZKDSMLLHKTARK-BDXSIMOUSA-N 2 0 293.499 2.523 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423491639 238493908 /nfs/dbraw/zinc/49/39/08/238493908.db2.gz KDFFSJODRVXRMB-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000423492862 238494340 /nfs/dbraw/zinc/49/43/40/238494340.db2.gz OWEMLYIWGWEQSL-JBLDHEPKSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000423493398 238494364 /nfs/dbraw/zinc/49/43/64/238494364.db2.gz PWXLAGOPUFILLQ-HOSYDEDBSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746758 541064670 /nfs/dbraw/zinc/06/46/70/541064670.db2.gz GGZQUBYEGHQWBI-NWDGAFQWSA-N 2 0 289.379 2.526 20 0 CFADRP Cc1nccn1CCCN(C)Cc1c(F)cccc1F ZINC000182652037 189330326 /nfs/dbraw/zinc/33/03/26/189330326.db2.gz OCINPIOHHYXIME-UHFFFAOYSA-N 2 0 279.334 2.992 20 0 CFADRP COCC1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000666223111 541073487 /nfs/dbraw/zinc/07/34/87/541073487.db2.gz CUPYRWIQARXCLM-HLIUYOAVSA-N 2 0 268.445 2.512 20 0 CFADRP CCc1cc(NCC2C[NH+](Cc3ccccc3)C2)cc[nH+]1 ZINC000716186059 781945632 /nfs/dbraw/zinc/94/56/32/781945632.db2.gz DVNUOOBMUIYPTI-UHFFFAOYSA-N 2 0 281.403 2.610 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000184460436 189386815 /nfs/dbraw/zinc/38/68/15/189386815.db2.gz HLNCANPCXFKEQC-CPUCHLNUSA-N 2 0 293.430 2.946 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000666614336 541120434 /nfs/dbraw/zinc/12/04/34/541120434.db2.gz ZOYPKMHKSHMXIP-ZFWWWQNUSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)C1CC[NH+](C)CC1 ZINC000671769800 541136245 /nfs/dbraw/zinc/13/62/45/541136245.db2.gz SJQUUVAUBNUEET-OAHLLOKOSA-N 2 0 287.451 2.823 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)C1 ZINC000666770072 541142462 /nfs/dbraw/zinc/14/24/62/541142462.db2.gz KGAWVXCYQHZVHZ-NJAFHUGGSA-N 2 0 293.499 2.761 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666753717 541139744 /nfs/dbraw/zinc/13/97/44/541139744.db2.gz BYVVRKUEKBHLND-CYBMUJFWSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666937633 541164073 /nfs/dbraw/zinc/16/40/73/541164073.db2.gz JLRGKVOHPCEUQS-NSHDSACASA-N 2 0 267.442 2.629 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)ccc1SC ZINC000666951999 541165893 /nfs/dbraw/zinc/16/58/93/541165893.db2.gz BGAMSHLDJDVHES-OAHLLOKOSA-N 2 0 292.448 2.649 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952430 541165947 /nfs/dbraw/zinc/16/59/47/541165947.db2.gz WCFFJFWGZYYXJO-OAHLLOKOSA-N 2 0 283.375 2.573 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954326 541166441 /nfs/dbraw/zinc/16/64/41/541166441.db2.gz UQXUKXWSNZOAHA-MGPQQGTHSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666953636 541166672 /nfs/dbraw/zinc/16/66/72/541166672.db2.gz CUDHXEWQXYZIBN-NXHRZFHOSA-N 2 0 299.462 2.554 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955417 541167279 /nfs/dbraw/zinc/16/72/79/541167279.db2.gz IGQJPQYHMCZEFH-CQSZACIVSA-N 2 0 294.826 2.970 20 0 CFADRP Cc1ccsc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998322 541169590 /nfs/dbraw/zinc/16/95/90/541169590.db2.gz NPJVRIDSCSOTSY-LBPRGKRZSA-N 2 0 250.411 2.821 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996835 541171803 /nfs/dbraw/zinc/17/18/03/541171803.db2.gz HZSQAKKIOUJNBT-HNNXBMFYSA-N 2 0 262.372 2.898 20 0 CFADRP Fc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c(F)c1 ZINC000666998292 541171808 /nfs/dbraw/zinc/17/18/08/541171808.db2.gz MEARWKDGVMUWPM-ZDUSSCGKSA-N 2 0 266.335 2.729 20 0 CFADRP Cc1ccnc(C)c1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000667063072 541181129 /nfs/dbraw/zinc/18/11/29/541181129.db2.gz WELBSGRRNFGGPZ-ZDUSSCGKSA-N 2 0 290.411 2.693 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2c(C3CCC3)cnn2C)CC1 ZINC000667493865 541243366 /nfs/dbraw/zinc/24/33/66/541243366.db2.gz FXXCIJWDSLXDSC-UHFFFAOYSA-N 2 0 290.455 2.604 20 0 CFADRP c1ccc(OCCCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427122489 239285908 /nfs/dbraw/zinc/28/59/08/239285908.db2.gz REYMMVBVRPOHBO-SJLPKXTDSA-N 2 0 288.435 2.920 20 0 CFADRP Cc1ncc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)n1C ZINC000667651945 541279123 /nfs/dbraw/zinc/27/91/23/541279123.db2.gz NNNRCCJEMBHTGY-KRWDZBQOSA-N 2 0 298.434 2.829 20 0 CFADRP Cc1ncc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)n1C ZINC000667592995 541264563 /nfs/dbraw/zinc/26/45/63/541264563.db2.gz MVQBVZLDFZSTRQ-HNNXBMFYSA-N 2 0 299.374 2.794 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667786463 541314403 /nfs/dbraw/zinc/31/44/03/541314403.db2.gz RBDOTHNLSYAMIY-DJIMGWMZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CC(Oc2ccccc2)C1 ZINC000667823515 541323537 /nfs/dbraw/zinc/32/35/37/541323537.db2.gz TVLAMBKGDWJMII-HLIUYOAVSA-N 2 0 262.397 2.526 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667902130 541337308 /nfs/dbraw/zinc/33/73/08/541337308.db2.gz BJSGWTZMALDMFU-NBZXXOOGSA-N 2 0 292.467 2.533 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667928143 541345045 /nfs/dbraw/zinc/34/50/45/541345045.db2.gz QEHLXIJIZUIZKO-NUEKZKHPSA-N 2 0 268.445 2.654 20 0 CFADRP c1nc2n(c1C[N@H+]1CC[C@@H](COc3ccccc3)C1)CCC2 ZINC000667959010 541352735 /nfs/dbraw/zinc/35/27/35/541352735.db2.gz BEOISGGGYWMVHN-OAHLLOKOSA-N 2 0 297.402 2.730 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667961853 541353786 /nfs/dbraw/zinc/35/37/86/541353786.db2.gz ZJVINFPUXABBAC-JXSMBQFASA-N 2 0 292.467 2.797 20 0 CFADRP Cc1ccc(C)c(OCC[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000430573499 239779961 /nfs/dbraw/zinc/77/99/61/239779961.db2.gz QXTNEERPCWDGHV-INIZCTEOSA-N 2 0 264.413 2.645 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668070648 541379033 /nfs/dbraw/zinc/37/90/33/541379033.db2.gz VUXNTVKXMKNOIZ-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCN1CCOCC1 ZINC000433282539 240136042 /nfs/dbraw/zinc/13/60/42/240136042.db2.gz MQBZKDJDJOCPQU-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCN1CCOCC1 ZINC000433282337 240137139 /nfs/dbraw/zinc/13/71/39/240137139.db2.gz MQBZKDJDJOCPQU-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000435391172 240310602 /nfs/dbraw/zinc/31/06/02/240310602.db2.gz VQUSTVUJGPTHND-UHFFFAOYSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2ccc(-c3cc[nH]n3)o2)CC[N@@H+]1C ZINC000435122826 240289189 /nfs/dbraw/zinc/28/91/89/240289189.db2.gz CJPMNBZVQZVDQR-OLZOCXBDSA-N 2 0 288.395 2.584 20 0 CFADRP c1cc2c(ncnc2NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[nH]1 ZINC000435583182 240326089 /nfs/dbraw/zinc/32/60/89/240326089.db2.gz FKGWOQUHZRRZHJ-AWEZNQCLSA-N 2 0 299.422 2.589 20 0 CFADRP CC[N@H+](CCOc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435623888 240331870 /nfs/dbraw/zinc/33/18/70/240331870.db2.gz HVCGUEBYBXGNQB-HNNXBMFYSA-N 2 0 280.387 2.669 20 0 CFADRP CCCC[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435680769 240340086 /nfs/dbraw/zinc/34/00/86/240340086.db2.gz HWIWFZNAWJUAFL-OAHLLOKOSA-N 2 0 290.455 2.647 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423069135 291345037 /nfs/dbraw/zinc/34/50/37/291345037.db2.gz DHYLXDSNYDWSOL-MLHJIOFPSA-N 2 0 294.483 2.828 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443976101 241101108 /nfs/dbraw/zinc/10/11/08/241101108.db2.gz CXLUFZAXDLDWCI-UHFFFAOYSA-N 2 0 293.358 2.593 20 0 CFADRP Oc1ccc2c(c1)CN(CCC[NH+]1CCCCC1)CC2 ZINC000444572036 241150135 /nfs/dbraw/zinc/15/01/35/241150135.db2.gz SNMCJYXQJVGETH-UHFFFAOYSA-N 2 0 274.408 2.626 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCC2CCC2)C[C@@H]1C ZINC000445433239 241217714 /nfs/dbraw/zinc/21/77/14/241217714.db2.gz BOJXEOQKLWOKLW-GOEBONIOSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(N(C)C)c2)[C@H](C)C1 ZINC000673716452 541507513 /nfs/dbraw/zinc/50/75/13/541507513.db2.gz XPXHZLAYMKRWNG-QAPCUYQASA-N 2 0 289.467 2.915 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000447570709 241386747 /nfs/dbraw/zinc/38/67/47/241386747.db2.gz HMVBAQUWYOTTQH-AWEZNQCLSA-N 2 0 290.455 2.989 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)o1 ZINC000447536135 241380457 /nfs/dbraw/zinc/38/04/57/241380457.db2.gz LHCVDEJCSVPADA-AWEZNQCLSA-N 2 0 293.455 2.573 20 0 CFADRP CCCC[C@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601376 241392201 /nfs/dbraw/zinc/39/22/01/241392201.db2.gz POEMGXICTPKVCH-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2CC2)CC1 ZINC000449068690 241672299 /nfs/dbraw/zinc/67/22/99/241672299.db2.gz UJRYKHRREQWQNN-AWEZNQCLSA-N 2 0 258.409 2.834 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)C1CCCC1 ZINC000449220560 241773774 /nfs/dbraw/zinc/77/37/74/241773774.db2.gz HWLJJPRCJGLYIA-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP Cn1cncc1CCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000571295492 383681520 /nfs/dbraw/zinc/68/15/20/383681520.db2.gz ZSNQLDHZKWTXJA-UHFFFAOYSA-N 2 0 291.370 2.503 20 0 CFADRP Cc1ccc2nc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn2c1 ZINC000449525952 242002299 /nfs/dbraw/zinc/00/22/99/242002299.db2.gz CUYYNAWVVFESQH-UHFFFAOYSA-N 2 0 288.439 2.853 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C/C=C\c1ccncc1 ZINC000449528250 242005335 /nfs/dbraw/zinc/00/53/35/242005335.db2.gz OCQMREXJPVXPFZ-ALCCZGGFSA-N 2 0 261.413 2.805 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C/C=C/c1ccncc1 ZINC000449528251 242007305 /nfs/dbraw/zinc/00/73/05/242007305.db2.gz OCQMREXJPVXPFZ-FNORWQNLSA-N 2 0 261.413 2.805 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000449551622 242021038 /nfs/dbraw/zinc/02/10/38/242021038.db2.gz GNZJNLQGVGLCPK-HOTGVXAUSA-N 2 0 276.399 2.893 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)ccc2F)[C@@H](C)C1 ZINC000449550564 242021900 /nfs/dbraw/zinc/02/19/00/242021900.db2.gz BSKUXFRGHDPJHO-WMLDXEAASA-N 2 0 278.415 2.997 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)[NH+](C)C ZINC000449557987 242030093 /nfs/dbraw/zinc/03/00/93/242030093.db2.gz UBEOHCXPFQFGOL-ZOBUZTSGSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@@H](C)C1 ZINC000449738960 242126238 /nfs/dbraw/zinc/12/62/38/242126238.db2.gz HIZDHJUGFJYNSV-LSDHHAIUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H](C[NH+]1CCCC1)Nc1cc[nH+]c2ccccc12 ZINC000675150820 541620343 /nfs/dbraw/zinc/62/03/43/541620343.db2.gz AWLDPGLNFHCUIO-CQSZACIVSA-N 2 0 269.392 2.943 20 0 CFADRP CCc1cc(NC[C@@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000450218847 242312498 /nfs/dbraw/zinc/31/24/98/242312498.db2.gz WNOBEIHSJSDDPZ-AWEZNQCLSA-N 2 0 275.421 2.842 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040835 296113981 /nfs/dbraw/zinc/11/39/81/296113981.db2.gz ICCYWJKHLFLNSX-KZYLPZIUSA-N 3 0 293.499 2.747 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1N(C)C ZINC000423221726 296114192 /nfs/dbraw/zinc/11/41/92/296114192.db2.gz XVHBRGOGRHPTJR-LMWSTFAQSA-N 2 0 279.403 2.812 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1cccc(Cl)c1F)C1C[NH2+]C1 ZINC000423053026 296117009 /nfs/dbraw/zinc/11/70/09/296117009.db2.gz RUHKICPVTDWWBF-SNVBAGLBSA-N 2 0 284.806 2.954 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879783 296121571 /nfs/dbraw/zinc/12/15/71/296121571.db2.gz LESDPNCVAWXFSZ-BBWFWOEESA-N 3 0 281.488 2.761 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675741944 541686719 /nfs/dbraw/zinc/68/67/19/541686719.db2.gz JNIWIGIRTYARPT-INIZCTEOSA-N 2 0 281.488 2.737 20 0 CFADRP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000675814253 541697408 /nfs/dbraw/zinc/69/74/08/541697408.db2.gz QWIOPANRVZHFBL-HUUCEWRRSA-N 2 0 292.423 2.536 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2nc(C(C)C)no2)CC1 ZINC000675807236 541696978 /nfs/dbraw/zinc/69/69/78/541696978.db2.gz MIKYBRLPOGGRCY-UHFFFAOYSA-N 2 0 294.443 2.590 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCC1 ZINC000453059748 243381221 /nfs/dbraw/zinc/38/12/21/243381221.db2.gz NDLCKIRDNBJNMR-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCC1 ZINC000453095916 243399727 /nfs/dbraw/zinc/39/97/27/243399727.db2.gz VFTNCWZWEOFWMH-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000422965676 296128755 /nfs/dbraw/zinc/12/87/55/296128755.db2.gz PIJITUPLFMJIKS-OAGGEKHMSA-N 2 0 291.439 2.537 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1C ZINC000161760849 541766345 /nfs/dbraw/zinc/76/63/45/541766345.db2.gz WIIXLFYRQDBDHB-OAHLLOKOSA-N 2 0 290.451 2.866 20 0 CFADRP OC1(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCCC1 ZINC000676555621 541766680 /nfs/dbraw/zinc/76/66/80/541766680.db2.gz BJWNVSHRBPXMIH-UHFFFAOYSA-N 2 0 294.483 2.880 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402824 296149324 /nfs/dbraw/zinc/14/93/24/296149324.db2.gz NVHCTJBWKXEICA-UGUYLWEFSA-N 2 0 280.456 2.654 20 0 CFADRP C([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000676901904 541804388 /nfs/dbraw/zinc/80/43/88/541804388.db2.gz MNIIOWNAPBWJPY-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP C1=CC[C@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000676901871 541804570 /nfs/dbraw/zinc/80/45/70/541804570.db2.gz LJESOISBVBDTDI-RDJZCZTQSA-N 2 0 278.440 2.576 20 0 CFADRP CC(C)OC1CC([N@H+](C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000459364066 245158320 /nfs/dbraw/zinc/15/83/20/245158320.db2.gz VOZKSOQJIMDDCM-FHERZECASA-N 2 0 268.445 2.749 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CCc2cccc(Cl)c2)CCCN1C ZINC000459473186 245191808 /nfs/dbraw/zinc/19/18/08/245191808.db2.gz DOSBTJNWWJGEBM-IUODEOHRSA-N 2 0 266.816 2.955 20 0 CFADRP CC1(C)CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000459489504 245194645 /nfs/dbraw/zinc/19/46/45/245194645.db2.gz KGJJEDPZZVHUAS-MRXNPFEDSA-N 2 0 289.423 2.598 20 0 CFADRP C[C@H](CC[NH+](C)C)N[C@H]1CCc2c1cc(F)cc2F ZINC000677129086 541824750 /nfs/dbraw/zinc/82/47/50/541824750.db2.gz FCWLXQLOCBQBQU-BMIGLBTASA-N 2 0 268.351 2.882 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000459636200 245253966 /nfs/dbraw/zinc/25/39/66/245253966.db2.gz JTWRQTHGWSDLBZ-WBVHZDCISA-N 2 0 275.440 2.867 20 0 CFADRP CCOC[C@@H]1CCCC[N@@H+]1CCC[NH+](CC)CC ZINC000459727616 245288524 /nfs/dbraw/zinc/28/85/24/245288524.db2.gz YYTAXQMGQVVEBA-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725143 245284387 /nfs/dbraw/zinc/28/43/87/245284387.db2.gz FPVLNKITJJOREQ-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1ccncc1CCC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459795425 245329464 /nfs/dbraw/zinc/32/94/64/245329464.db2.gz VGDJSYCVLPPGSW-MRXNPFEDSA-N 2 0 275.440 2.644 20 0 CFADRP Cc1cccc(CC[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459797472 245332364 /nfs/dbraw/zinc/33/23/64/245332364.db2.gz WRYVTAHWOGGWDZ-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP C[C@@H](C[N@H+](C)CCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000459821446 245339301 /nfs/dbraw/zinc/33/93/01/245339301.db2.gz GCFQRTFTJHWHGO-HNNXBMFYSA-N 2 0 298.471 2.772 20 0 CFADRP c1ccc(CC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000011953456 371938136 /nfs/dbraw/zinc/93/81/36/371938136.db2.gz PXXKNMJIANICFH-UHFFFAOYSA-N 2 0 272.436 2.941 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CCSC1)Cc1ccccc1 ZINC000019913213 372207667 /nfs/dbraw/zinc/20/76/67/372207667.db2.gz JLFIEPFDVVMAAC-OAHLLOKOSA-N 2 0 264.438 2.604 20 0 CFADRP Cc1cccc(C)c1OCCC[NH+]1CCC(C[NH3+])CC1 ZINC000020267187 372236396 /nfs/dbraw/zinc/23/63/96/372236396.db2.gz ZDDZJZRVKLZFJF-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000032105915 372426244 /nfs/dbraw/zinc/42/62/44/372426244.db2.gz CPCZQJOORJJWPF-CYBMUJFWSA-N 2 0 250.386 2.515 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000034981272 372525715 /nfs/dbraw/zinc/52/57/15/372525715.db2.gz BKFPTYOBZHSZQC-ZDUSSCGKSA-N 2 0 296.411 2.666 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnn2C)cc1 ZINC000036901250 372608146 /nfs/dbraw/zinc/60/81/46/372608146.db2.gz XALRBXDLZQHKOJ-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c[nH]nc1C ZINC000036901602 372608197 /nfs/dbraw/zinc/60/81/97/372608197.db2.gz PLTXFXLYNRAHDG-UHFFFAOYSA-N 2 0 286.423 2.850 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC000036908074 372609971 /nfs/dbraw/zinc/60/99/71/372609971.db2.gz JKIPOBZOZQLTEH-HLLBOEOZSA-N 2 0 260.425 2.938 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000037616687 372674168 /nfs/dbraw/zinc/67/41/68/372674168.db2.gz HLHLSKIOUIWSSO-UHFFFAOYSA-N 2 0 289.423 2.738 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000037643764 372678990 /nfs/dbraw/zinc/67/89/90/372678990.db2.gz HUCMMSQKPMEKGT-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000037679542 372688052 /nfs/dbraw/zinc/68/80/52/372688052.db2.gz JJWKLNBAPBVZNJ-GRDNDAEWSA-N 2 0 276.424 2.904 20 0 CFADRP c1csc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000042516930 372931703 /nfs/dbraw/zinc/93/17/03/372931703.db2.gz IPDYLQMOVXSUMU-GFCCVEGCSA-N 2 0 250.411 2.712 20 0 CFADRP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044537123 373003564 /nfs/dbraw/zinc/00/35/64/373003564.db2.gz WHEYXPLXBNFDAW-LBPRGKRZSA-N 2 0 252.427 2.742 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000044532839 373004949 /nfs/dbraw/zinc/00/49/49/373004949.db2.gz HXRZGJUTYPZRTC-LBPRGKRZSA-N 2 0 290.436 2.570 20 0 CFADRP CCCOc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045598414 373023370 /nfs/dbraw/zinc/02/33/70/373023370.db2.gz UTSPHMMFUZRUBO-UHFFFAOYSA-N 2 0 264.413 2.907 20 0 CFADRP Cc1cccn2c(C[NH2+]CCOCC3CCC3)cnc12 ZINC000571373084 383687911 /nfs/dbraw/zinc/68/79/11/383687911.db2.gz YWMKSEQVQANQQS-UHFFFAOYSA-N 2 0 273.380 2.549 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000051694060 373406339 /nfs/dbraw/zinc/40/63/39/373406339.db2.gz DRPNRJFZNRGBCD-JEYLPNPQSA-N 2 0 276.424 2.876 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000051756195 373409018 /nfs/dbraw/zinc/40/90/18/373409018.db2.gz AFBXNIQHQCVGIM-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243580 373508365 /nfs/dbraw/zinc/50/83/65/373508365.db2.gz WOMAWNHCWFPMFP-TZMCWYRMSA-N 2 0 252.427 2.611 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000571414612 383692732 /nfs/dbraw/zinc/69/27/32/383692732.db2.gz UWQWHFBWASTLKI-WCQYABFASA-N 2 0 294.370 2.535 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717881 373702840 /nfs/dbraw/zinc/70/28/40/373702840.db2.gz FVVCTEYNYOMLFA-WQGACYEGSA-N 2 0 282.378 2.826 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000063159069 373788190 /nfs/dbraw/zinc/78/81/90/373788190.db2.gz JZWPYJCAPBLORV-UHFFFAOYSA-N 2 0 264.438 2.840 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000063158976 373789314 /nfs/dbraw/zinc/78/93/14/373789314.db2.gz DIRIRVRRYJSNHE-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000070169580 374134877 /nfs/dbraw/zinc/13/48/77/374134877.db2.gz TVQZIOQBHZZCGU-GFCCVEGCSA-N 2 0 284.350 2.849 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1F ZINC000070148435 374127586 /nfs/dbraw/zinc/12/75/86/374127586.db2.gz WCQPAUJGVGNHJS-CQSZACIVSA-N 2 0 250.361 2.837 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000070170484 374135545 /nfs/dbraw/zinc/13/55/45/374135545.db2.gz QMYVONCEIYIJGH-AWEZNQCLSA-N 2 0 292.423 2.573 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171779 374137061 /nfs/dbraw/zinc/13/70/61/374137061.db2.gz BYUBYJFRJIWYIP-IPYPFGDCSA-N 2 0 262.397 2.815 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000070171648 374138251 /nfs/dbraw/zinc/13/82/51/374138251.db2.gz JAJHPJAKHBSHFU-TZMCWYRMSA-N 2 0 264.438 2.968 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccoc2C)[C@@H](C)C1 ZINC000490418391 246007575 /nfs/dbraw/zinc/00/75/75/246007575.db2.gz DVLRBSCPYKGXBC-SWLSCSKDSA-N 2 0 250.386 2.750 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000491025157 246035944 /nfs/dbraw/zinc/03/59/44/246035944.db2.gz VSXIGKKUXQHFML-WBMJQRKESA-N 2 0 278.827 2.955 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000070499648 374187908 /nfs/dbraw/zinc/18/79/08/374187908.db2.gz XJMPFUOLMFDAKS-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP C[C@@H](C[NH2+]Cc1cc2c(cccc2F)[nH]1)C[NH+](C)C ZINC000491588161 246083995 /nfs/dbraw/zinc/08/39/95/246083995.db2.gz FSMMRGVOUZYDGG-NSHDSACASA-N 2 0 263.360 2.594 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C[NH+](C)C ZINC000491594788 246085623 /nfs/dbraw/zinc/08/56/23/246085623.db2.gz TYRSYRMVSGFLNU-SOLBZPMBSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C[NH+](C)C ZINC000491594785 246085798 /nfs/dbraw/zinc/08/57/98/246085798.db2.gz TYRSYRMVSGFLNU-JFIYKMOQSA-N 2 0 289.467 2.609 20 0 CFADRP COCC[N@H+](CCn1ccnc1)Cc1ccc(C)cc1C ZINC000677981298 541931464 /nfs/dbraw/zinc/93/14/64/541931464.db2.gz AYDTWCGAPBBTEW-UHFFFAOYSA-N 2 0 287.407 2.649 20 0 CFADRP CC(C)[NH2+][C@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000678222996 541975646 /nfs/dbraw/zinc/97/56/46/541975646.db2.gz IYYMTYCDMAAVQE-KRWDZBQOSA-N 2 0 298.434 2.835 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000251793751 189971990 /nfs/dbraw/zinc/97/19/90/189971990.db2.gz WMKQWXPBBJXWES-JHJVBQTASA-N 2 0 252.427 2.799 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000083479974 374748279 /nfs/dbraw/zinc/74/82/79/374748279.db2.gz FBGNNFJDHBUSIW-UHFFFAOYSA-N 2 0 264.413 2.763 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000089141267 374872849 /nfs/dbraw/zinc/87/28/49/374872849.db2.gz SCAKWQKTLAFHQT-WOSRLPQWSA-N 2 0 292.423 2.872 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144805 374873111 /nfs/dbraw/zinc/87/31/11/374873111.db2.gz GFEPKGKNNBDZHB-BJJXKVORSA-N 2 0 262.397 2.863 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089139213 374873723 /nfs/dbraw/zinc/87/37/23/374873723.db2.gz NBWCVQIKVJFNSH-WBVHZDCISA-N 2 0 275.440 2.620 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000089146072 374874709 /nfs/dbraw/zinc/87/47/09/374874709.db2.gz DRZMVCYDOMCGLE-GOEBONIOSA-N 2 0 262.397 2.563 20 0 CFADRP CCn1nc(C[NH+]2CCC(CC[NH3+])CC2)c2ccccc21 ZINC000089174985 374885371 /nfs/dbraw/zinc/88/53/71/374885371.db2.gz SFPZUTNFJPCAPQ-UHFFFAOYSA-N 2 0 286.423 2.617 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000089552174 374923415 /nfs/dbraw/zinc/92/34/15/374923415.db2.gz UYCHSKIIGSUVFY-MLGOLLRUSA-N 2 0 298.377 2.664 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000090525543 375019561 /nfs/dbraw/zinc/01/95/61/375019561.db2.gz BXSGPGXNSDCQHY-IKGGRYGDSA-N 2 0 282.472 2.779 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090764285 375025238 /nfs/dbraw/zinc/02/52/38/375025238.db2.gz JPPGDAPXEAGVDD-JUFZMCDQSA-N 2 0 279.428 2.713 20 0 CFADRP C[NH+](C)C[C@H]1CCN(Cc2nccc3ccccc32)C1 ZINC000678265069 541989753 /nfs/dbraw/zinc/98/97/53/541989753.db2.gz WSYCZDBEGJDLIC-CQSZACIVSA-N 2 0 269.392 2.618 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000092804629 375156105 /nfs/dbraw/zinc/15/61/05/375156105.db2.gz KBSCBJBTQZRDJN-AGIUHOORSA-N 2 0 252.446 2.987 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000092836300 375162993 /nfs/dbraw/zinc/16/29/93/375162993.db2.gz LTGPATDYDAHOHT-UGSOOPFHSA-N 2 0 286.419 2.756 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CC)[C@@H](C)C1 ZINC000093075502 375181834 /nfs/dbraw/zinc/18/18/34/375181834.db2.gz LIIVQWUXCZVBJM-PMPSAXMXSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093450901 375244360 /nfs/dbraw/zinc/24/43/60/375244360.db2.gz PGGRGEZIRGBTFW-XDNAFOTISA-N 2 0 293.499 2.761 20 0 CFADRP CSCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491617 375253954 /nfs/dbraw/zinc/25/39/54/375253954.db2.gz BEJRLPOTSUYAAB-MELADBBJSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H]1CSCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678268271 541992777 /nfs/dbraw/zinc/99/27/77/541992777.db2.gz RUHXXKYDSXPICO-AWEZNQCLSA-N 2 0 294.464 2.564 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000093639480 375276692 /nfs/dbraw/zinc/27/66/92/375276692.db2.gz HYTSXRATLPVRDH-PBHICJAKSA-N 2 0 276.424 2.857 20 0 CFADRP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683546 375293258 /nfs/dbraw/zinc/29/32/58/375293258.db2.gz QTHYRUALTFZUSH-HNNXBMFYSA-N 2 0 298.434 2.871 20 0 CFADRP CCCCOCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093515926 375262101 /nfs/dbraw/zinc/26/21/01/375262101.db2.gz LXCBDKFHMSPYKN-HUUCEWRRSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1cccnc1 ZINC000093515649 375262146 /nfs/dbraw/zinc/26/21/46/375262146.db2.gz JJFZUZYANUIWHO-GDBMZVCRSA-N 2 0 261.413 2.525 20 0 CFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@H](C)c1cccc(O)c1 ZINC000094011558 375335638 /nfs/dbraw/zinc/33/56/38/375335638.db2.gz HIDPMVDEUICFQE-CYBMUJFWSA-N 2 0 262.397 2.775 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070343 375338346 /nfs/dbraw/zinc/33/83/46/375338346.db2.gz MWSKVBXRIPQCNM-GFCCVEGCSA-N 2 0 298.377 2.856 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000094070052 375338707 /nfs/dbraw/zinc/33/87/07/375338707.db2.gz NDUUGTXELOQGNA-UHFFFAOYSA-N 2 0 288.844 2.731 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422469 375358358 /nfs/dbraw/zinc/35/83/58/375358358.db2.gz MYVZZPMCJAKZHW-CYBMUJFWSA-N 2 0 256.434 2.654 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000502561581 247111897 /nfs/dbraw/zinc/11/18/97/247111897.db2.gz QYOIUVIYOKZEDG-QGZVFWFLSA-N 2 0 290.451 2.956 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCO1 ZINC000678599609 542049508 /nfs/dbraw/zinc/04/95/08/542049508.db2.gz YXANKJVINRZLNQ-PMPSAXMXSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000111695925 375864338 /nfs/dbraw/zinc/86/43/38/375864338.db2.gz CLIXXDATDDVJSM-DZGCQCFKSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000111612054 375858927 /nfs/dbraw/zinc/85/89/27/375858927.db2.gz ZHRKOVXKBIBZTI-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000111635984 375860296 /nfs/dbraw/zinc/86/02/96/375860296.db2.gz HHUFOHBCJAPJBG-YCPHGPKFSA-N 2 0 268.445 2.654 20 0 CFADRP CCC1(O)CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000678774336 542067755 /nfs/dbraw/zinc/06/77/55/542067755.db2.gz WKBHYTJOMFOGTA-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000678772547 542067979 /nfs/dbraw/zinc/06/79/79/542067979.db2.gz NANQUIJBBOVUKM-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000113513677 376020185 /nfs/dbraw/zinc/02/01/85/376020185.db2.gz HROYTSGEJWHAQN-SFHVURJKSA-N 2 0 290.451 2.519 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000116385613 376184006 /nfs/dbraw/zinc/18/40/06/376184006.db2.gz CGPZIYCTSBUDQG-IRXDYDNUSA-N 2 0 260.425 2.939 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000116385615 376184411 /nfs/dbraw/zinc/18/44/11/376184411.db2.gz CGPZIYCTSBUDQG-DLBZAZTESA-N 2 0 260.425 2.939 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCCCOC)CC1 ZINC000116879260 376212257 /nfs/dbraw/zinc/21/22/57/376212257.db2.gz UUMLWIIWGZNOKT-UHFFFAOYSA-N 2 0 256.434 2.609 20 0 CFADRP COCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000117883847 376266982 /nfs/dbraw/zinc/26/69/82/376266982.db2.gz RRRQKOZWWJBDOU-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)C1CCOCC1 ZINC000119065418 376346115 /nfs/dbraw/zinc/34/61/15/376346115.db2.gz BQASYFTYIMMXSV-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2c(CC)noc2C)C1 ZINC000119489676 376423503 /nfs/dbraw/zinc/42/35/03/376423503.db2.gz UKBLRRRVMCKMMO-AWEZNQCLSA-N 2 0 279.428 2.709 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc3c(s2)CCC3)C[C@@H]1C ZINC000678833032 542080233 /nfs/dbraw/zinc/08/02/33/542080233.db2.gz QTRCMKOXSQOULQ-STQMWFEESA-N 2 0 293.480 2.936 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3c(s2)CCC3)C[C@@H]1C ZINC000678833031 542080326 /nfs/dbraw/zinc/08/03/26/542080326.db2.gz QTRCMKOXSQOULQ-QWHCGFSZSA-N 2 0 293.480 2.936 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3nc4c(s3)CCC4)CC[C@H]21 ZINC000678842006 542082295 /nfs/dbraw/zinc/08/22/95/542082295.db2.gz CQNOHNQUBHCBHD-TZMCWYRMSA-N 2 0 291.464 2.548 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCCOCC)CC1 ZINC000119948292 376512061 /nfs/dbraw/zinc/51/20/61/376512061.db2.gz IZCFRYZLPYPVMM-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP CC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000120188570 376565526 /nfs/dbraw/zinc/56/55/26/376565526.db2.gz PNDBYFZUTZGTFQ-CRAIPNDOSA-N 2 0 290.451 2.779 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2nccc3ccccc32)CC1 ZINC000678940793 542097242 /nfs/dbraw/zinc/09/72/42/542097242.db2.gz IYCZDYYCBPYTLF-UHFFFAOYSA-N 2 0 267.376 2.586 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000679016894 542109765 /nfs/dbraw/zinc/10/97/65/542109765.db2.gz SHPBOMVZJIHPFS-FMKPAKJESA-N 2 0 282.472 2.779 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000121377119 376818396 /nfs/dbraw/zinc/81/83/96/376818396.db2.gz XJMYBXDSZHJTLZ-GDBMZVCRSA-N 2 0 293.455 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(CO)c1 ZINC000121351689 376813410 /nfs/dbraw/zinc/81/34/10/376813410.db2.gz LZYBZDIPOJUYNB-JKSUJKDBSA-N 2 0 290.451 2.952 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000121829861 376915151 /nfs/dbraw/zinc/91/51/51/376915151.db2.gz ABBFPRIKMAFYBD-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCOC)CCCC2)[C@H](C)C1 ZINC000122346141 376927370 /nfs/dbraw/zinc/92/73/70/376927370.db2.gz HEXSOVGKZLDYGT-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CCc1cc(N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000122819681 376938885 /nfs/dbraw/zinc/93/88/85/376938885.db2.gz OWOADTGVGZYABU-UHFFFAOYSA-N 2 0 255.365 2.549 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000131335550 284609157 /nfs/dbraw/zinc/60/91/57/284609157.db2.gz JXBMJYUWCXAMOG-LSDHHAIUSA-N 2 0 270.461 2.902 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123895654 376992850 /nfs/dbraw/zinc/99/28/50/376992850.db2.gz PEVYIKFXXHPBLQ-CRAIPNDOSA-N 3 0 289.467 2.711 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cc(F)cc(F)c2)CC1 ZINC000125197326 377126035 /nfs/dbraw/zinc/12/60/35/377126035.db2.gz JTEJBBAWDDJYDW-UHFFFAOYSA-N 2 0 268.351 2.881 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000124521412 377059472 /nfs/dbraw/zinc/05/94/72/377059472.db2.gz PEQKUFGIJMWASQ-IOASZLSFSA-N 2 0 280.387 2.523 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124624499 377071036 /nfs/dbraw/zinc/07/10/36/377071036.db2.gz OLFDDSYBOSLWTQ-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000571696601 383718291 /nfs/dbraw/zinc/71/82/91/383718291.db2.gz CKLXSGFYOBZMQB-MSOLQXFVSA-N 2 0 290.451 2.820 20 0 CFADRP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCCn1ccnc1C ZINC000125526495 377166088 /nfs/dbraw/zinc/16/60/88/377166088.db2.gz WXCIEZXZZYSKLE-HZPDHXFCSA-N 2 0 279.428 2.597 20 0 CFADRP CC[NH+](CC)CCN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371210057 284623068 /nfs/dbraw/zinc/62/30/68/284623068.db2.gz XKUBTDGXJVFXOQ-KRWDZBQOSA-N 2 0 281.488 2.526 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CCCCC3)C2)CCN1C ZINC000127567971 377290487 /nfs/dbraw/zinc/29/04/87/377290487.db2.gz VKIIIKJUKPQYGC-BZUAXINKSA-N 2 0 280.456 2.941 20 0 CFADRP FCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000127648891 377295274 /nfs/dbraw/zinc/29/52/74/377295274.db2.gz IEIKGEWEFQOOLD-OAHLLOKOSA-N 2 0 256.409 2.934 20 0 CFADRP Cc1cccc([C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000129794060 377474505 /nfs/dbraw/zinc/47/45/05/377474505.db2.gz ASOURKIDLBJMJO-KRWDZBQOSA-N 2 0 289.467 2.625 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000130209946 377521622 /nfs/dbraw/zinc/52/16/22/377521622.db2.gz YKUKZFRNABGVOQ-ZBFHGGJFSA-N 2 0 276.424 2.700 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000349664505 284640300 /nfs/dbraw/zinc/64/03/00/284640300.db2.gz MATDYFNLMUCNKH-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cc(C)cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000130253437 377527385 /nfs/dbraw/zinc/52/73/85/377527385.db2.gz HFWCSHHNRUIEKY-KRWDZBQOSA-N 2 0 289.467 2.592 20 0 CFADRP Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000679392790 542185834 /nfs/dbraw/zinc/18/58/34/542185834.db2.gz QFLPVQVJSGTHPG-YJBOKZPZSA-N 2 0 286.419 2.841 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(O)cc2)CC1 ZINC000679396603 542188307 /nfs/dbraw/zinc/18/83/07/542188307.db2.gz UTQRQGPATCTDAK-UHFFFAOYSA-N 2 0 262.397 2.698 20 0 CFADRP COCC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000679575808 542210435 /nfs/dbraw/zinc/21/04/35/542210435.db2.gz RVOICSWJVMMPBD-UKRRQHHQSA-N 2 0 280.412 2.677 20 0 CFADRP CC1(C)CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC000130865209 377621450 /nfs/dbraw/zinc/62/14/50/377621450.db2.gz YQHWVHVQQGNCNP-OAHLLOKOSA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CSC2)c1 ZINC000679624514 542214791 /nfs/dbraw/zinc/21/47/91/542214791.db2.gz BBWBLLXSLXXDKA-UHFFFAOYSA-N 2 0 264.438 2.733 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cn1 ZINC000131311666 377693842 /nfs/dbraw/zinc/69/38/42/377693842.db2.gz XAHIHGVJVZFEFZ-CYBMUJFWSA-N 2 0 253.365 2.603 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000131243314 377681664 /nfs/dbraw/zinc/68/16/64/377681664.db2.gz PKGBSQBJZFLSRO-UKRRQHHQSA-N 2 0 259.397 2.829 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000131473264 377718624 /nfs/dbraw/zinc/71/86/24/377718624.db2.gz CHDCYEZFIQIKOC-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000131607906 377736370 /nfs/dbraw/zinc/73/63/70/377736370.db2.gz WAZCJLVUHUELMR-ZYHUDNBSSA-N 2 0 288.313 2.754 20 0 CFADRP C[N@H+](CCn1ccnc1)[C@H](c1ccccc1)c1ccccn1 ZINC000131925525 377780419 /nfs/dbraw/zinc/78/04/19/377780419.db2.gz BWHALHDHQHYMKD-GOSISDBHSA-N 2 0 292.386 3.000 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCOCC2CC2)c2ccccc21 ZINC000131943214 377781400 /nfs/dbraw/zinc/78/14/00/377781400.db2.gz XCSGFNYYUJTTBT-HZPDHXFCSA-N 2 0 260.381 2.538 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)[C@H](C)C1 ZINC000131688871 377748227 /nfs/dbraw/zinc/74/82/27/377748227.db2.gz IOXCINKYWOWUBG-CJNGLKHVSA-N 2 0 264.388 2.688 20 0 CFADRP CC[N@@H+]1CC[C@@H](Nc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000132174945 377811270 /nfs/dbraw/zinc/81/12/70/377811270.db2.gz YJDMTRANDUYJNF-GDBMZVCRSA-N 2 0 288.439 2.824 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2)[C@H](C)C1 ZINC000132253837 377819028 /nfs/dbraw/zinc/81/90/28/377819028.db2.gz QDMPGUXENRDRIK-PBHICJAKSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCNc2ccccc2)CC[N@@H+]1C ZINC000132009696 377790072 /nfs/dbraw/zinc/79/00/72/377790072.db2.gz MZFRWOSZDSNNDB-ZBFHGGJFSA-N 2 0 261.413 2.561 20 0 CFADRP CCc1cc(NC[C@](C)(O)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000133000873 377894008 /nfs/dbraw/zinc/89/40/08/377894008.db2.gz QJMINSQVBQLLOJ-KRWDZBQOSA-N 2 0 287.407 2.522 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000133380249 377925463 /nfs/dbraw/zinc/92/54/63/377925463.db2.gz CXUGISKIZZQARO-OAHLLOKOSA-N 2 0 250.386 2.500 20 0 CFADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)CC1CC[NH+](C)CC1 ZINC000529532712 383723821 /nfs/dbraw/zinc/72/38/21/383723821.db2.gz YWSZJSOVWSFAQU-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP CCCN(Cc1c(F)cccc1F)C1CC[NH2+]CC1 ZINC000133793885 377958682 /nfs/dbraw/zinc/95/86/82/377958682.db2.gz VXTFJNMHRWHOPE-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP c1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000134884423 378059223 /nfs/dbraw/zinc/05/92/23/378059223.db2.gz PUQFORQFWVESDW-QAPCUYQASA-N 2 0 285.435 2.573 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000135424873 378130304 /nfs/dbraw/zinc/13/03/04/378130304.db2.gz QZWAODCNMPRMSD-OAHLLOKOSA-N 2 0 276.424 2.874 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCCOc1ccccc1 ZINC000571772560 383725572 /nfs/dbraw/zinc/72/55/72/383725572.db2.gz DBBIKKWYUQBGBP-CABCVRRESA-N 2 0 262.397 2.657 20 0 CFADRP Fc1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150771286 378271318 /nfs/dbraw/zinc/27/13/18/378271318.db2.gz DXXYBOCAMJNLJE-CQSZACIVSA-N 2 0 262.372 2.743 20 0 CFADRP c1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150807832 378272961 /nfs/dbraw/zinc/27/29/61/378272961.db2.gz GHDPEEUXNVOAJT-KRWDZBQOSA-N 2 0 288.435 2.873 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150823049 378274160 /nfs/dbraw/zinc/27/41/60/378274160.db2.gz ZGJXKAKPUACLIA-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000150946045 378282063 /nfs/dbraw/zinc/28/20/63/378282063.db2.gz CLCMIRMYCQFXAB-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@H]1C[C@@H](N(C)Cc2nc3cc(F)ccc3o2)CC[N@@H+]1C ZINC000151663181 378346352 /nfs/dbraw/zinc/34/63/52/378346352.db2.gz QVQRNBPUSKIMJM-AAEUAGOBSA-N 2 0 291.370 2.881 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152670970 378438052 /nfs/dbraw/zinc/43/80/52/378438052.db2.gz VYJHENDTFALKCP-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(F)c1 ZINC000154421444 378566103 /nfs/dbraw/zinc/56/61/03/378566103.db2.gz OFTVJLCIEFWCKK-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000154435555 378566171 /nfs/dbraw/zinc/56/61/71/378566171.db2.gz TXGPUFLSVNVWDV-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000154573389 378581586 /nfs/dbraw/zinc/58/15/86/378581586.db2.gz ALDUWTCEWZQLGL-NJAFHUGGSA-N 2 0 293.499 2.713 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000155125637 378611491 /nfs/dbraw/zinc/61/14/91/378611491.db2.gz VTFLTVQRJLPMDO-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000157693908 378657294 /nfs/dbraw/zinc/65/72/94/378657294.db2.gz BDVICIIDBUVPLW-MSOLQXFVSA-N 2 0 288.435 2.981 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000158967405 378677792 /nfs/dbraw/zinc/67/77/92/378677792.db2.gz VIHNYJNNJFVFBS-JKIFEVAISA-N 2 0 276.424 2.556 20 0 CFADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000571843271 383731261 /nfs/dbraw/zinc/73/12/61/383731261.db2.gz AXNHGJLDROCNPS-XJKSGUPXSA-N 2 0 298.858 2.515 20 0 CFADRP CCC(CC)(CC)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000679841095 542241878 /nfs/dbraw/zinc/24/18/78/542241878.db2.gz MJMSXYZZFXFMKY-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]Cc2cnc3ccc(C)cn23)cc1 ZINC000278505708 194016084 /nfs/dbraw/zinc/01/60/84/194016084.db2.gz OVILJPGPTRLMFN-KRWDZBQOSA-N 2 0 295.386 2.774 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000571851398 383732620 /nfs/dbraw/zinc/73/26/20/383732620.db2.gz NAJWNXDPPOLKGT-UHFFFAOYSA-N 2 0 279.403 2.773 20 0 CFADRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1C ZINC000278537256 194031849 /nfs/dbraw/zinc/03/18/49/194031849.db2.gz WIRJMCDXMOFMMX-UHFFFAOYSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000163487755 378976903 /nfs/dbraw/zinc/97/69/03/378976903.db2.gz SVHAGQIRNIJTIY-BBRMVZONSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000162983764 378948088 /nfs/dbraw/zinc/94/80/88/378948088.db2.gz YZORIDNKZARCHZ-WQGACYEGSA-N 2 0 282.378 2.826 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000162991161 378948201 /nfs/dbraw/zinc/94/82/01/378948201.db2.gz OVNHQVVHYHQRGL-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP c1csc([C@H]2CCCCN2CCn2ccnc2)n1 ZINC000163215805 378959179 /nfs/dbraw/zinc/95/91/79/378959179.db2.gz DYXIXKKZDWDWAR-GFCCVEGCSA-N 2 0 262.382 2.567 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163244164 378960231 /nfs/dbraw/zinc/96/02/31/378960231.db2.gz KRGWQLJMIASWIT-HIFRSBDPSA-N 2 0 262.397 2.643 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000163222096 378960785 /nfs/dbraw/zinc/96/07/85/378960785.db2.gz DSGCKJFMLHOANI-AEFFLSMTSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000163376211 378967899 /nfs/dbraw/zinc/96/78/99/378967899.db2.gz MWCSSXRUTGXWGZ-YPMHNXCESA-N 2 0 284.350 2.705 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163379052 378968143 /nfs/dbraw/zinc/96/81/43/378968143.db2.gz URJISRFSOSBQBU-YDHLFZDLSA-N 2 0 262.397 2.673 20 0 CFADRP C[C@@H]1CCN(Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000163409936 378969091 /nfs/dbraw/zinc/96/90/91/378969091.db2.gz RLOXUBYOSKEULR-YPMHNXCESA-N 2 0 297.240 2.866 20 0 CFADRP CC(C)CN1CCN(c2ccncc2Br)CC1 ZINC000164057195 379002200 /nfs/dbraw/zinc/00/22/00/379002200.db2.gz JNJVKVNRVSTGKJ-UHFFFAOYSA-N 2 0 298.228 2.622 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2c(F)cccc2F)CC[N@@H+]1C ZINC000164685310 379021275 /nfs/dbraw/zinc/02/12/75/379021275.db2.gz UYDFVEUVNFPGNZ-VXGBXAGGSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1cc2cc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)ccc2[nH]1 ZINC000334282452 379029011 /nfs/dbraw/zinc/02/90/11/379029011.db2.gz IAKXLXJGAHZVOU-WBMJQRKESA-N 2 0 271.408 2.906 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CN(C)C[C@@H]3C)ccc2[nH]1 ZINC000335308239 379053996 /nfs/dbraw/zinc/05/39/96/379053996.db2.gz LTMYLVZAFHFHBT-MEDUHNTESA-N 2 0 257.381 2.516 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000334313448 379076848 /nfs/dbraw/zinc/07/68/48/379076848.db2.gz WQFHOTXXPJAYGR-CVEARBPZSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@H](O)CCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000278735697 194130345 /nfs/dbraw/zinc/13/03/45/194130345.db2.gz UYDNGEHXQTWPPO-INIZCTEOSA-N 2 0 292.467 2.895 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335451645 379320450 /nfs/dbraw/zinc/32/04/50/379320450.db2.gz JXCUIVFLOBSJNR-GDBMZVCRSA-N 2 0 273.424 2.758 20 0 CFADRP Clc1cccc2c1CCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335459674 379331636 /nfs/dbraw/zinc/33/16/36/379331636.db2.gz ACMUHKPANMAYGG-AWEZNQCLSA-N 2 0 250.773 2.526 20 0 CFADRP Cc1cnc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000335462194 379337468 /nfs/dbraw/zinc/33/74/68/379337468.db2.gz LORXDYIDJWXWLX-AEFFLSMTSA-N 2 0 287.451 2.657 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335484326 379381488 /nfs/dbraw/zinc/38/14/88/379381488.db2.gz UUZJBGMHTYYKGV-DLBZAZTESA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)COC2 ZINC000335499435 379406562 /nfs/dbraw/zinc/40/65/62/379406562.db2.gz FCWJVQSQXYBIIP-VHWKEVPUSA-N 2 0 260.381 2.637 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335501353 379409471 /nfs/dbraw/zinc/40/94/71/379409471.db2.gz RUVLNLFKYQFFAA-INIZCTEOSA-N 2 0 274.433 2.526 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cs1 ZINC000334531369 379466067 /nfs/dbraw/zinc/46/60/67/379466067.db2.gz TUUCFSWETIEUPN-WCQYABFASA-N 2 0 261.394 2.919 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335544628 379487281 /nfs/dbraw/zinc/48/72/81/379487281.db2.gz UZCZFNCQWMHLMS-AWEZNQCLSA-N 2 0 290.455 2.736 20 0 CFADRP CC(C)=CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335599841 379583951 /nfs/dbraw/zinc/58/39/51/379583951.db2.gz SEQLGACAUKLTGP-RDJZCZTQSA-N 2 0 272.392 2.798 20 0 CFADRP COC1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335594009 379577813 /nfs/dbraw/zinc/57/78/13/379577813.db2.gz FNKBGGBINSZKGS-DCNYZXSGSA-N 2 0 260.381 2.678 20 0 CFADRP Fc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335632524 379629608 /nfs/dbraw/zinc/62/96/08/379629608.db2.gz GSQXXXMPCVRNKT-GJZGRUSLSA-N 2 0 262.372 2.647 20 0 CFADRP Cn1cnc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)ccc21 ZINC000334629166 379660915 /nfs/dbraw/zinc/66/09/15/379660915.db2.gz UAVRUQAIOZYAIS-MRXNPFEDSA-N 2 0 298.434 2.537 20 0 CFADRP C[C@H](c1ccccc1F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335742336 379815240 /nfs/dbraw/zinc/81/52/40/379815240.db2.gz WTLYMTDGLBUHRZ-CYBMUJFWSA-N 2 0 262.372 2.962 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C)c2)[C@H](C)C1 ZINC000174629665 379920435 /nfs/dbraw/zinc/92/04/35/379920435.db2.gz JONUKYBSLKMSFT-CJNGLKHVSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000335841761 379977352 /nfs/dbraw/zinc/97/73/52/379977352.db2.gz HLXUZKYVZBNSJJ-GHMZBOCLSA-N 2 0 262.328 2.741 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC000334852884 379932796 /nfs/dbraw/zinc/93/27/96/379932796.db2.gz BOJMKCWCBDDOEC-QWHCGFSZSA-N 2 0 262.372 2.572 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CC[NH2+]1 ZINC000334871075 379936364 /nfs/dbraw/zinc/93/63/64/379936364.db2.gz XRZLZMSUHZKOLA-WNYYMSAVSA-N 2 0 264.335 2.838 20 0 CFADRP FC1(F)CC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335010157 379956138 /nfs/dbraw/zinc/95/61/38/379956138.db2.gz OSIOMUYKTRHARJ-HIFRSBDPSA-N 2 0 294.345 2.630 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335010835 379956346 /nfs/dbraw/zinc/95/63/46/379956346.db2.gz QXVIMPJZHIQJEL-CVEARBPZSA-N 2 0 280.456 2.975 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335036035 379960997 /nfs/dbraw/zinc/96/09/97/379960997.db2.gz IKTBLNKCWKKWMP-VXLLPVPCSA-N 2 0 293.499 2.617 20 0 CFADRP COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000176222826 380197268 /nfs/dbraw/zinc/19/72/68/380197268.db2.gz CZBVEKXKAOSYCW-MRXNPFEDSA-N 2 0 290.451 2.913 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nc1 ZINC000335997045 380213475 /nfs/dbraw/zinc/21/34/75/380213475.db2.gz HMIVWZSCCXDIRS-INIZCTEOSA-N 2 0 273.424 2.554 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422731663 284825473 /nfs/dbraw/zinc/82/54/73/284825473.db2.gz MCTUJCQRPKXCPB-YESZJQIVSA-N 2 0 275.440 2.539 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])CC(C)C ZINC000422834742 284824044 /nfs/dbraw/zinc/82/40/44/284824044.db2.gz XJMGPNANPXWPIB-YESZJQIVSA-N 2 0 283.504 2.850 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@](C)(F)C1 ZINC000336215201 380289532 /nfs/dbraw/zinc/28/95/32/380289532.db2.gz CLSYNZFNMZBSOE-INIZCTEOSA-N 2 0 288.370 2.900 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)c2ccccc21 ZINC000336232692 380292429 /nfs/dbraw/zinc/29/24/29/380292429.db2.gz GVRFCUIHWMWSGD-QWHCGFSZSA-N 2 0 252.308 2.766 20 0 CFADRP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccoc1 ZINC000177911675 380392920 /nfs/dbraw/zinc/39/29/20/380392920.db2.gz UBRDOUUPRGJYMQ-GFCCVEGCSA-N 2 0 268.320 2.711 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000336423322 380344574 /nfs/dbraw/zinc/34/45/74/380344574.db2.gz HJIZAHSUCLSXFT-BLLLJJGKSA-N 2 0 262.372 2.874 20 0 CFADRP CCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177501616 380349669 /nfs/dbraw/zinc/34/96/69/380349669.db2.gz CRBAWYZEPZWCMX-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CCCC34CC[NH+](C)CC4)n2c1 ZINC000336492817 380360129 /nfs/dbraw/zinc/36/01/29/380360129.db2.gz WBTJVKGOPHALDV-UHFFFAOYSA-N 2 0 298.434 2.703 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178241969 380425379 /nfs/dbraw/zinc/42/53/79/380425379.db2.gz HXRQJUXOMGPHLB-HUUCEWRRSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1[NH3+] ZINC000336537798 380435296 /nfs/dbraw/zinc/43/52/96/380435296.db2.gz LEDDXODSVPHABG-RDTXWAMCSA-N 2 0 281.403 2.918 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000178371312 380443997 /nfs/dbraw/zinc/44/39/97/380443997.db2.gz HDDZBLQVJULILJ-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000178038359 380403492 /nfs/dbraw/zinc/40/34/92/380403492.db2.gz XITJEGIDMLGSPN-KKUMJFAQSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178829334 380488019 /nfs/dbraw/zinc/48/80/19/380488019.db2.gz AYRDZCZHXKWLBH-KRWDZBQOSA-N 2 0 297.402 2.695 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000336785534 380631027 /nfs/dbraw/zinc/63/10/27/380631027.db2.gz DZBQFTCCCPQRHG-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cc(F)cc(F)c1 ZINC000336787246 380632538 /nfs/dbraw/zinc/63/25/38/380632538.db2.gz DOXCUFBHHDCOBD-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP CSC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000336725479 380617000 /nfs/dbraw/zinc/61/70/00/380617000.db2.gz VECMZEQJSFXFKB-KBPBESRZSA-N 2 0 256.459 2.546 20 0 CFADRP COC(C)(C)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336784267 380629078 /nfs/dbraw/zinc/62/90/78/380629078.db2.gz NVHUCHGAUCPNPW-UHFFFAOYSA-N 2 0 256.434 2.606 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1F ZINC000180486151 380667428 /nfs/dbraw/zinc/66/74/28/380667428.db2.gz NEGCQJNAZAUBNZ-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP C[N@H+](CCC1CCOCC1)CC[C@@H]1CCCC[NH+]1C ZINC000336817243 380679761 /nfs/dbraw/zinc/67/97/61/380679761.db2.gz PIXJLXUMGCGVBL-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000180653453 380686548 /nfs/dbraw/zinc/68/65/48/380686548.db2.gz CBYYUIQUVXWIOZ-HIFRSBDPSA-N 2 0 291.464 2.900 20 0 CFADRP CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cccc3nccn32)C1(C)C ZINC000180672596 380688071 /nfs/dbraw/zinc/68/80/71/380688071.db2.gz KZBDONJBZCCTSM-RHSMWYFYSA-N 2 0 287.407 2.970 20 0 CFADRP Cc1ncc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000336802126 380655341 /nfs/dbraw/zinc/65/53/41/380655341.db2.gz SQCXRHZHKYOSLL-CQSZACIVSA-N 2 0 279.453 2.615 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)C[C@@H]1C ZINC000336804327 380661225 /nfs/dbraw/zinc/66/12/25/380661225.db2.gz ZKQGMKLMFFVXFN-KKUMJFAQSA-N 2 0 268.445 2.749 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181052793 380730670 /nfs/dbraw/zinc/73/06/70/380730670.db2.gz SXOSYFSNRCPUQJ-GJZGRUSLSA-N 2 0 292.423 2.536 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261986677 296313281 /nfs/dbraw/zinc/31/32/81/296313281.db2.gz JVSINBWEQUIWDW-KZNAEPCWSA-N 2 0 293.499 2.572 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C=CCCC2)[C@H](C)C1 ZINC000181291182 380770984 /nfs/dbraw/zinc/77/09/84/380770984.db2.gz CHABPLQKXBQHSB-IKGGRYGDSA-N 2 0 280.456 2.822 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000346998574 380863241 /nfs/dbraw/zinc/86/32/41/380863241.db2.gz DDSVABOSHXZKEZ-LBPRGKRZSA-N 2 0 292.471 2.814 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000400572716 380863664 /nfs/dbraw/zinc/86/36/64/380863664.db2.gz QVYDFCFICLMOSG-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000400572712 380863850 /nfs/dbraw/zinc/86/38/50/380863850.db2.gz QVYDFCFICLMOSG-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000400572714 380864400 /nfs/dbraw/zinc/86/44/00/380864400.db2.gz QVYDFCFICLMOSG-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000287557686 380865848 /nfs/dbraw/zinc/86/58/48/380865848.db2.gz QACTXHBCMQHEPA-SJORKVTESA-N 2 0 273.424 2.539 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400996518 380865890 /nfs/dbraw/zinc/86/58/90/380865890.db2.gz JCUHPCCCJBSRON-QSPRXWTASA-N 2 0 288.435 2.604 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000181700513 380866018 /nfs/dbraw/zinc/86/60/18/380866018.db2.gz WJVDLCNRORPBNX-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400955633 380866396 /nfs/dbraw/zinc/86/63/96/380866396.db2.gz JJMPNGCYGUDWTG-DZOHQFGASA-N 2 0 272.436 2.904 20 0 CFADRP CCCC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346999560 380866920 /nfs/dbraw/zinc/86/69/20/380866920.db2.gz ZFPXIKHXJKTHLG-CQSZACIVSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccs1 ZINC000400941767 380867312 /nfs/dbraw/zinc/86/73/12/380867312.db2.gz DAKJKRKLFJQQKN-ZDEQEGDKSA-N 2 0 250.411 2.787 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000347003955 380869279 /nfs/dbraw/zinc/86/92/79/380869279.db2.gz AFGITVCWHUEHLM-YOEHRIQHSA-N 2 0 276.424 2.891 20 0 CFADRP Fc1cccc(CC[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000346985596 380850288 /nfs/dbraw/zinc/85/02/88/380850288.db2.gz PKQKQYNCOSDWDM-OAHLLOKOSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@H](NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400429488 380860303 /nfs/dbraw/zinc/86/03/03/380860303.db2.gz BJVXIXCTQVIICE-CGTJXYLNSA-N 2 0 287.451 2.554 20 0 CFADRP Cc1ccc(CCC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000181880673 380926601 /nfs/dbraw/zinc/92/66/01/380926601.db2.gz YTLRMOXBDXXPFH-QGZVFWFLSA-N 2 0 260.425 2.811 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347032350 380892719 /nfs/dbraw/zinc/89/27/19/380892719.db2.gz DUUHUMUFKUSJRZ-INMHGKMJSA-N 2 0 260.425 2.924 20 0 CFADRP CCC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050940 380904055 /nfs/dbraw/zinc/90/40/55/380904055.db2.gz IWPLOEUDWBBWBK-NVXWUHKLSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1cccnc1CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000404636615 380905839 /nfs/dbraw/zinc/90/58/39/380905839.db2.gz ZZXOSBMQMRFJBY-WBVHZDCISA-N 2 0 267.376 2.667 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000341297334 380913158 /nfs/dbraw/zinc/91/31/58/380913158.db2.gz ZYGGYGDOXUUAPP-CYBMUJFWSA-N 2 0 262.397 2.675 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000347065364 380918252 /nfs/dbraw/zinc/91/82/52/380918252.db2.gz KRNNQEMJSGMUGR-CYBMUJFWSA-N 2 0 298.377 2.946 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000353926847 380961086 /nfs/dbraw/zinc/96/10/86/380961086.db2.gz HBSRGCMNLZDIFW-HNNXBMFYSA-N 2 0 298.471 2.820 20 0 CFADRP Cc1cnccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000295592091 380962478 /nfs/dbraw/zinc/96/24/78/380962478.db2.gz CCPIHHSDMRSOFK-UHFFFAOYSA-N 2 0 261.413 2.746 20 0 CFADRP c1ccc([C@@H]2C[C@@H]2[N@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)cc1 ZINC000368242569 380967226 /nfs/dbraw/zinc/96/72/26/380967226.db2.gz NKRFJFNDDAJILK-FKSLSLAPSA-N 2 0 282.431 2.959 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1F ZINC000182035930 380970867 /nfs/dbraw/zinc/97/08/67/380970867.db2.gz USRLVBLHGFVWLF-OCCSQVGLSA-N 2 0 280.387 2.969 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000353944026 380976316 /nfs/dbraw/zinc/97/63/16/380976316.db2.gz JCQZBILABYASND-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP c1coc(CN(CCn2ccnc2)Cc2cccnc2)c1 ZINC000182071405 380982457 /nfs/dbraw/zinc/98/24/57/380982457.db2.gz REYXUELXIHISED-UHFFFAOYSA-N 2 0 282.347 2.574 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353954258 380982790 /nfs/dbraw/zinc/98/27/90/380982790.db2.gz JRJBFIVGIWGLNM-GHMZBOCLSA-N 2 0 264.335 2.649 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000347097802 380936628 /nfs/dbraw/zinc/93/66/28/380936628.db2.gz KDBPHEUDQZJBON-UHFFFAOYSA-N 2 0 267.442 2.698 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(C)c1OC(F)F ZINC000347108639 380944774 /nfs/dbraw/zinc/94/47/74/380944774.db2.gz OZDFCEAHGAXUAF-LBPRGKRZSA-N 2 0 284.350 2.685 20 0 CFADRP CCOc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000347233503 381017434 /nfs/dbraw/zinc/01/74/34/381017434.db2.gz YVJHROURHHLLBX-CYBMUJFWSA-N 2 0 292.423 2.653 20 0 CFADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCOC1 ZINC000411268451 381021328 /nfs/dbraw/zinc/02/13/28/381021328.db2.gz DGAQBMGCYQQTHY-GOSISDBHSA-N 2 0 288.435 2.893 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(C)(C)O)CC1 ZINC000347289010 381050191 /nfs/dbraw/zinc/05/01/91/381050191.db2.gz SJIHGCXIWQOPGE-UHFFFAOYSA-N 2 0 270.461 2.591 20 0 CFADRP C[N@H+](CCCc1ccncc1)CC[C@H]1CCCC[NH+]1C ZINC000347317071 381066899 /nfs/dbraw/zinc/06/68/99/381066899.db2.gz UGRGANYQSWHWED-QGZVFWFLSA-N 2 0 275.440 2.820 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368566618 381068500 /nfs/dbraw/zinc/06/85/00/381068500.db2.gz JEAMTNKXTNPZSB-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](C4CCC4)C3)cc2)cn1 ZINC000411874310 381043356 /nfs/dbraw/zinc/04/33/56/381043356.db2.gz MBWNFAKCVMJAHN-SFHVURJKSA-N 2 0 297.402 2.873 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc(F)cc2)CCN1C ZINC000182397590 381080661 /nfs/dbraw/zinc/08/06/61/381080661.db2.gz XCWIQCUPLBQBPK-CZUORRHYSA-N 2 0 292.398 2.813 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000354106181 381082746 /nfs/dbraw/zinc/08/27/46/381082746.db2.gz HUNWLIPWXQRROA-KRWDZBQOSA-N 2 0 294.414 2.758 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000182399876 381084576 /nfs/dbraw/zinc/08/45/76/381084576.db2.gz AAUIPIURZOEUDG-KRWDZBQOSA-N 2 0 294.414 2.761 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000182452658 381091947 /nfs/dbraw/zinc/09/19/47/381091947.db2.gz SHEWWYWDWKUEKP-HOTGVXAUSA-N 2 0 292.471 2.973 20 0 CFADRP Cc1ccc(CCC[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000354125381 381094346 /nfs/dbraw/zinc/09/43/46/381094346.db2.gz RGUPTBULGQYHEN-HNNXBMFYSA-N 2 0 275.440 2.644 20 0 CFADRP C[N@H+](CCCO[C@@H]1CCCCO1)CC[C@H]1CCCC[NH+]1C ZINC000358804570 381095567 /nfs/dbraw/zinc/09/55/67/381095567.db2.gz JNMXKHACUULKNL-IAGOWNOFSA-N 2 0 298.471 2.726 20 0 CFADRP Cc1cn[nH]c1C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000368687838 381110538 /nfs/dbraw/zinc/11/05/38/381110538.db2.gz MEVSNKZVOYMZCE-UHFFFAOYSA-N 2 0 290.455 2.851 20 0 CFADRP CC1CCC(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000182577766 381113539 /nfs/dbraw/zinc/11/35/39/381113539.db2.gz JLBSHUCARFHJJG-UHFFFAOYSA-N 2 0 295.515 2.771 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000354227211 381150914 /nfs/dbraw/zinc/15/09/14/381150914.db2.gz ZNAZWUVGAWVSSN-AWEZNQCLSA-N 2 0 261.394 2.588 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCC3CCOCC3)CC[C@@H]21 ZINC000369053716 381187316 /nfs/dbraw/zinc/18/73/16/381187316.db2.gz IDWQWYAGXGKJHZ-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341906814 381202710 /nfs/dbraw/zinc/20/27/10/381202710.db2.gz XPIXQCBSJRNFFX-HHARLNAUSA-N 2 0 281.488 2.568 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000183050446 381203399 /nfs/dbraw/zinc/20/33/99/381203399.db2.gz YHBFNPVUGVJWQR-OKZBNKHCSA-N 2 0 293.499 2.525 20 0 CFADRP COc1cc(C)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)n1 ZINC000358996535 381203759 /nfs/dbraw/zinc/20/37/59/381203759.db2.gz UBJPXRVWPCOSCW-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CCN(C3CCCC3)C2)cn1 ZINC000354326320 381203971 /nfs/dbraw/zinc/20/39/71/381203971.db2.gz CWJOYSQKTORRNM-QGZVFWFLSA-N 3 0 287.451 2.929 20 0 CFADRP CCC(CC)[N@H+](CCOC)Cc1ncc(CN(C)C)s1 ZINC000347603532 381250954 /nfs/dbraw/zinc/25/09/54/381250954.db2.gz DHGQZOXYZDQBMH-UHFFFAOYSA-N 2 0 299.484 2.842 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(Cc2cnn(CC(C)C)c2)C1 ZINC000183361573 381260063 /nfs/dbraw/zinc/26/00/63/381260063.db2.gz UAHDEIPOKKQZBT-MRXNPFEDSA-N 2 0 292.471 2.703 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1C(C)(C)C1(C)C ZINC000354355039 381221302 /nfs/dbraw/zinc/22/13/02/381221302.db2.gz ZYIMVQDNFWEQRZ-LSDHHAIUSA-N 2 0 296.499 2.884 20 0 CFADRP COCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197513 381233508 /nfs/dbraw/zinc/23/35/08/381233508.db2.gz FECIOQQZQOQXHZ-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000354382171 381235981 /nfs/dbraw/zinc/23/59/81/381235981.db2.gz GPWWEUHLQIKRHC-KSZLIROESA-N 2 0 293.499 2.810 20 0 CFADRP c1cc(NC2CC[NH+](C3CCC3)CC2)nc(C2CC2)n1 ZINC000296072420 381244246 /nfs/dbraw/zinc/24/42/46/381244246.db2.gz RZJPMALMMUKLCG-UHFFFAOYSA-N 2 0 272.396 2.783 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C1(C)C ZINC000359210966 381289158 /nfs/dbraw/zinc/28/91/58/381289158.db2.gz FAGDKEZCDDOBEJ-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359216336 381291151 /nfs/dbraw/zinc/29/11/51/381291151.db2.gz RCVXECCIRGNMRZ-CYBMUJFWSA-N 2 0 262.397 2.775 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNCc1n[nH]cc1C ZINC000290094960 381295946 /nfs/dbraw/zinc/29/59/46/381295946.db2.gz ZTOGJHWQWWMIKL-UHFFFAOYSA-N 2 0 286.423 2.850 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000359116717 381274396 /nfs/dbraw/zinc/27/43/96/381274396.db2.gz QOCFLEYOVPMAET-OIISXLGYSA-N 2 0 282.472 2.780 20 0 CFADRP CCc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000347657142 381280151 /nfs/dbraw/zinc/28/01/51/381280151.db2.gz UVDQWBNPSQTAOJ-UHFFFAOYSA-N 2 0 287.451 2.952 20 0 CFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000183844827 381327909 /nfs/dbraw/zinc/32/79/09/381327909.db2.gz SKWSSEWWKJBYGD-JKSUJKDBSA-N 2 0 280.456 2.533 20 0 CFADRP CCc1cc(CCCN2CC[C@@H](C[NH+]3CCCC3)C2)on1 ZINC000347753867 381334911 /nfs/dbraw/zinc/33/49/11/381334911.db2.gz VPMWXRDRRCEWEB-HNNXBMFYSA-N 2 0 291.439 2.587 20 0 CFADRP c1cc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2s1 ZINC000369670744 381311127 /nfs/dbraw/zinc/31/11/27/381311127.db2.gz ACYNPVKDSLXYOQ-VXGBXAGGSA-N 2 0 273.405 2.757 20 0 CFADRP CCc1ccc(C[N@H+](C)CCCn2ccnc2C)o1 ZINC000290291704 381372028 /nfs/dbraw/zinc/37/20/28/381372028.db2.gz ALFKFICLCQQCSR-UHFFFAOYSA-N 2 0 261.369 2.869 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000296395235 381376032 /nfs/dbraw/zinc/37/60/32/381376032.db2.gz LFQJQDIECIEAKD-STQMWFEESA-N 2 0 282.378 3.000 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCC1CC[NH+](C)CC1 ZINC000290380769 381406330 /nfs/dbraw/zinc/40/63/30/381406330.db2.gz NWDLAYAMGRUWSJ-UHFFFAOYSA-N 2 0 275.440 2.644 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(CC)nc2)C1 ZINC000347854044 381380041 /nfs/dbraw/zinc/38/00/41/381380041.db2.gz LKZATJRAJQEJGY-INIZCTEOSA-N 2 0 275.440 2.808 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000342545231 381387235 /nfs/dbraw/zinc/38/72/35/381387235.db2.gz LVJLSYWBEHVOLH-INIZCTEOSA-N 2 0 276.424 2.647 20 0 CFADRP COCCC[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184497725 381424719 /nfs/dbraw/zinc/42/47/19/381424719.db2.gz QIUWADZVEMVFBK-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP CCC1CC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000342622143 381439598 /nfs/dbraw/zinc/43/95/98/381439598.db2.gz CTBMRLJQCJYHKZ-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1ccncc1CCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000290484724 381448739 /nfs/dbraw/zinc/44/87/39/381448739.db2.gz OGBWXPIPHAVNOL-MSOLQXFVSA-N 3 0 287.451 2.739 20 0 CFADRP Cc1c[nH+]ccc1NCC1CC[NH+](CCC(C)C)CC1 ZINC000359548913 381461812 /nfs/dbraw/zinc/46/18/12/381461812.db2.gz UNTIZVIKIJGXRH-UHFFFAOYSA-N 2 0 275.440 2.982 20 0 CFADRP CCOC1CC(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000370572321 381469370 /nfs/dbraw/zinc/46/93/70/381469370.db2.gz ONYHZTBFHQIRIE-AQFXKWCLSA-N 2 0 280.456 2.752 20 0 CFADRP CC[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OC ZINC000412979057 381516457 /nfs/dbraw/zinc/51/64/57/381516457.db2.gz SNNKPVJUOVDWEL-ROUUACIJSA-N 2 0 290.451 2.865 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000290593987 381494095 /nfs/dbraw/zinc/49/40/95/381494095.db2.gz VNRJGFRKKZMHKE-QWHCGFSZSA-N 2 0 280.437 2.673 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000354862931 381494543 /nfs/dbraw/zinc/49/45/43/381494543.db2.gz XKFADGUEYXHUIB-WMZOPIPTSA-N 2 0 294.483 2.591 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000354961452 381539091 /nfs/dbraw/zinc/53/90/91/381539091.db2.gz QCDBCKMCHQQSLF-VHDGCEQUSA-N 2 0 268.445 2.508 20 0 CFADRP COC1(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000359671805 381546514 /nfs/dbraw/zinc/54/65/14/381546514.db2.gz AHOYRIXDLKSMPV-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312989384 270289927 /nfs/dbraw/zinc/28/99/27/270289927.db2.gz LDLBWYUDPKIVTB-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)[C@H](C)C1 ZINC000348403367 381552190 /nfs/dbraw/zinc/55/21/90/381552190.db2.gz LRTVQWWBUMIAJS-QXSJWSMHSA-N 2 0 286.435 2.604 20 0 CFADRP CCC(CC)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC ZINC000297322079 381556671 /nfs/dbraw/zinc/55/66/71/381556671.db2.gz CQNWJIVOHHKBSA-UHFFFAOYSA-N 2 0 291.439 2.845 20 0 CFADRP COC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000297487866 381562862 /nfs/dbraw/zinc/56/28/62/381562862.db2.gz SWBGOVDTCICFAC-UHFFFAOYSA-N 2 0 289.423 2.599 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc3c[nH]nc3c2)CC1 ZINC000342814997 381562923 /nfs/dbraw/zinc/56/29/23/381562923.db2.gz OEZOFWZJQVAEQH-UHFFFAOYSA-N 2 0 286.423 2.568 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000414178440 381568910 /nfs/dbraw/zinc/56/89/10/381568910.db2.gz JUYJUSKXRDBWFW-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000414652218 381598359 /nfs/dbraw/zinc/59/83/59/381598359.db2.gz GPRSQPSTDFIRST-OIISXLGYSA-N 2 0 258.409 2.777 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000414691132 381600566 /nfs/dbraw/zinc/60/05/66/381600566.db2.gz OHMDGSDVWGIKOV-MSOLQXFVSA-N 2 0 295.515 2.804 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000414841120 381607873 /nfs/dbraw/zinc/60/78/73/381607873.db2.gz YWTDUPWWXQLAPL-XOSAIJSUSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CC(F)(F)F)C2)CC[NH2+]1 ZINC000414738265 381602871 /nfs/dbraw/zinc/60/28/71/381602871.db2.gz HUVXSTGNZBFRBD-IJLUTSLNSA-N 2 0 264.335 2.649 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000414800499 381605303 /nfs/dbraw/zinc/60/53/03/381605303.db2.gz KXHNCZNCBLNXQX-DZKIICNBSA-N 2 0 274.408 2.660 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414849034 381607974 /nfs/dbraw/zinc/60/79/74/381607974.db2.gz HBSQDAQBPNJLGR-BHYGNILZSA-N 2 0 260.425 2.985 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414839377 381607178 /nfs/dbraw/zinc/60/71/78/381607178.db2.gz XJDXNELNZYZXOQ-KBPBESRZSA-N 2 0 278.465 2.929 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000185308560 381594081 /nfs/dbraw/zinc/59/40/81/381594081.db2.gz JVSUCOVSPDHFHS-RCBQFDQVSA-N 2 0 296.842 2.620 20 0 CFADRP CC1(C[NH2+]Cc2ccc(Br)cc2)CC[NH2+]CC1 ZINC000414905353 381611071 /nfs/dbraw/zinc/61/10/71/381611071.db2.gz NZNRDUCMOLMAPM-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc2c(s1)CCC2 ZINC000355108273 381615832 /nfs/dbraw/zinc/61/58/32/381615832.db2.gz AHANYQVSVMNKTB-XQQFMLRXSA-N 2 0 291.464 2.909 20 0 CFADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928969 381617728 /nfs/dbraw/zinc/61/77/28/381617728.db2.gz QVQHKSNDSHOZRD-BPLDGKMQSA-N 2 0 290.407 2.596 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414928180 381618163 /nfs/dbraw/zinc/61/81/63/381618163.db2.gz PXSLIAOFKJOYFG-NWDGAFQWSA-N 2 0 268.788 2.708 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000414930146 381620065 /nfs/dbraw/zinc/62/00/65/381620065.db2.gz SNFDSPQWZPMBOJ-HUUCEWRRSA-N 2 0 264.438 2.779 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414931332 381622058 /nfs/dbraw/zinc/62/20/58/381622058.db2.gz BPXZRRJZVYQEAB-WOSRLPQWSA-N 2 0 264.388 2.734 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000185403801 381622291 /nfs/dbraw/zinc/62/22/91/381622291.db2.gz NZKLTWVEDXLOMN-ZBFHGGJFSA-N 2 0 261.413 2.854 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1SC ZINC000414934183 381623779 /nfs/dbraw/zinc/62/37/79/381623779.db2.gz AGSUHKMZAMNZID-DGCLKSJQSA-N 2 0 280.437 2.505 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414944079 381634070 /nfs/dbraw/zinc/63/40/70/381634070.db2.gz NFULOPQURGHVBC-YQQAZPJKSA-N 2 0 276.424 2.537 20 0 CFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000371468393 381634935 /nfs/dbraw/zinc/63/49/35/381634935.db2.gz AQKWXDBKKCWCFS-CWRNSKLLSA-N 2 0 294.464 2.740 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000414945981 381636258 /nfs/dbraw/zinc/63/62/58/381636258.db2.gz JBANJQUMINVEDE-GXFFZTMASA-N 2 0 272.314 2.936 20 0 CFADRP CC(C)COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000414945519 381637116 /nfs/dbraw/zinc/63/71/16/381637116.db2.gz RTAJFJMITMZXNQ-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+]1CCC(N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414943158 381633626 /nfs/dbraw/zinc/63/36/26/381633626.db2.gz NLEQVFOQXPARAH-LJQANCHMSA-N 2 0 297.446 2.914 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1F ZINC000414944001 381633669 /nfs/dbraw/zinc/63/36/69/381633669.db2.gz OTRKEVZNXHNAMP-WOSRLPQWSA-N 2 0 294.414 2.601 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414956634 381648914 /nfs/dbraw/zinc/64/89/14/381648914.db2.gz NQASNFRLWATWLN-CJNGLKHVSA-N 2 0 262.397 2.561 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC(OC)CC2)[C@H](C)C1 ZINC000355140195 381639041 /nfs/dbraw/zinc/63/90/41/381639041.db2.gz XRTPNHMVXADDHU-KZYLPZIUSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946756 381639339 /nfs/dbraw/zinc/63/93/39/381639339.db2.gz KCLNHLONBCLJRX-WOSRLPQWSA-N 2 0 264.388 2.877 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000371480551 381640702 /nfs/dbraw/zinc/64/07/02/381640702.db2.gz PCTJROSUZGRWFG-BZZMCLGOSA-N 2 0 288.435 2.837 20 0 CFADRP CC[NH2+][C@H](C)CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414949605 381640953 /nfs/dbraw/zinc/64/09/53/381640953.db2.gz FBUKADQPFYTAGY-NUJGCVRESA-N 2 0 289.467 2.627 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000414950014 381640967 /nfs/dbraw/zinc/64/09/67/381640967.db2.gz FQBBHRZSAFBWNA-QWHCGFSZSA-N 2 0 282.403 2.601 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1Br ZINC000414951671 381642560 /nfs/dbraw/zinc/64/25/60/381642560.db2.gz HXRIXTRQDZDYLK-SMDDNHRTSA-N 2 0 297.240 2.845 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000343036252 381655754 /nfs/dbraw/zinc/65/57/54/381655754.db2.gz ZWSSXXSAMXMZHM-CRAIPNDOSA-N 2 0 289.467 2.568 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OC(C)C ZINC000414964265 381660066 /nfs/dbraw/zinc/66/00/66/381660066.db2.gz UQESDSGYQOFIND-HIFRSBDPSA-N 2 0 292.423 2.570 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000355186153 381663350 /nfs/dbraw/zinc/66/33/50/381663350.db2.gz ZJOOFSRQNLDNHT-ROUUACIJSA-N 2 0 288.435 2.525 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414967126 381664349 /nfs/dbraw/zinc/66/43/49/381664349.db2.gz GVVASZWBZVCFCI-OAHLLOKOSA-N 2 0 250.361 2.756 20 0 CFADRP Fc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc(F)c1F ZINC000414969835 381665820 /nfs/dbraw/zinc/66/58/20/381665820.db2.gz JREAJORMXVQENK-LLVKDONJSA-N 2 0 272.314 2.726 20 0 CFADRP FC(F)(F)c1ncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414968646 381666100 /nfs/dbraw/zinc/66/61/00/381666100.db2.gz SBWLHKWFRQHIIO-SECBINFHSA-N 2 0 293.358 2.784 20 0 CFADRP Cc1nccn1CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298556436 381672397 /nfs/dbraw/zinc/67/23/97/381672397.db2.gz VKFZSADIZMICGH-UHFFFAOYSA-N 2 0 269.392 2.901 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCN3)CC1 ZINC000414978083 381672730 /nfs/dbraw/zinc/67/27/30/381672730.db2.gz LDLITQJSEIMYBE-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414978991 381673340 /nfs/dbraw/zinc/67/33/40/381673340.db2.gz NAMGFNREFRUGIZ-GXFFZTMASA-N 2 0 285.229 2.880 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414959658 381653639 /nfs/dbraw/zinc/65/36/39/381653639.db2.gz XMMBIXJZDDIIJD-JQWIXIFHSA-N 2 0 270.323 2.518 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000415014790 381708226 /nfs/dbraw/zinc/70/82/26/381708226.db2.gz XMHKZDILHCRKSL-GMTAPVOTSA-N 2 0 285.229 2.878 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415013776 381708527 /nfs/dbraw/zinc/70/85/27/381708527.db2.gz KXXZNGGTPCNZPB-GJZGRUSLSA-N 2 0 291.439 2.819 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000415016548 381710587 /nfs/dbraw/zinc/71/05/87/381710587.db2.gz CUBROTUFHROVBE-NSHDSACASA-N 2 0 290.329 2.845 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415015517 381710620 /nfs/dbraw/zinc/71/06/20/381710620.db2.gz ATJFHCRVKGELPL-SNVBAGLBSA-N 2 0 265.382 2.620 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415019080 381712935 /nfs/dbraw/zinc/71/29/35/381712935.db2.gz RJOWOCMUQUEFPO-RDBSUJKOSA-N 2 0 291.439 2.852 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415018609 381713767 /nfs/dbraw/zinc/71/37/67/381713767.db2.gz UPEOGHUYRYLZJR-CHWSQXEVSA-N 2 0 295.402 2.650 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415019624 381713869 /nfs/dbraw/zinc/71/38/69/381713869.db2.gz SCGMOKYOSLPRAB-SDDRHHMPSA-N 2 0 252.427 2.665 20 0 CFADRP c1c(C[NH2+]CCC[C@H]2CCC[NH2+]2)[nH]nc1-c1ccccc1 ZINC000414980903 381675363 /nfs/dbraw/zinc/67/53/63/381675363.db2.gz XGKGCADHGPEMFM-HNNXBMFYSA-N 2 0 284.407 2.699 20 0 CFADRP Clc1ccc2ncc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)n2c1 ZINC000414979539 381675906 /nfs/dbraw/zinc/67/59/06/381675906.db2.gz VMALGFHWYWAQHG-CYBMUJFWSA-N 2 0 292.814 2.610 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000414986413 381679166 /nfs/dbraw/zinc/67/91/66/381679166.db2.gz CIIVRKSBGOCDCP-FOJUNHNLSA-N 2 0 262.372 2.946 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000414984205 381679499 /nfs/dbraw/zinc/67/94/99/381679499.db2.gz ABAYYMQKTYXVIH-OCCSQVGLSA-N 2 0 252.789 2.947 20 0 CFADRP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355217509 381685104 /nfs/dbraw/zinc/68/51/04/381685104.db2.gz WZQIQQSLUVTRTI-RCCFBDPRSA-N 2 0 288.435 2.679 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC000414991130 381685238 /nfs/dbraw/zinc/68/52/38/381685238.db2.gz JBTPAEBSUXCJIJ-ZWNOBZJWSA-N 2 0 254.324 2.572 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000414990657 381685463 /nfs/dbraw/zinc/68/54/63/381685463.db2.gz IUUCJGLEXQITMQ-DGCLKSJQSA-N 2 0 252.789 2.947 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1CC[NH+](C)CC1 ZINC000343446814 381716525 /nfs/dbraw/zinc/71/65/25/381716525.db2.gz NAFXSLHGNYCFAJ-INIZCTEOSA-N 2 0 292.398 2.753 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000415024049 381716798 /nfs/dbraw/zinc/71/67/98/381716798.db2.gz MPSFXIJCDRRTDC-JOCQHMNTSA-N 2 0 250.361 2.680 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000415024291 381716817 /nfs/dbraw/zinc/71/68/17/381716817.db2.gz NBEYETHCPFESGM-HAQNSBGRSA-N 2 0 268.351 2.820 20 0 CFADRP FC(F)Oc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415000620 381692438 /nfs/dbraw/zinc/69/24/38/381692438.db2.gz BKWIYQDQEUEXSE-LSDHHAIUSA-N 2 0 296.361 2.766 20 0 CFADRP CCCOc1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415002380 381695294 /nfs/dbraw/zinc/69/52/94/381695294.db2.gz DEYJRCPRMVGJGV-QWHCGFSZSA-N 2 0 280.412 2.699 20 0 CFADRP CC(C)c1nccn1[C@@H]1CCCN(Cc2ccon2)C1 ZINC000371769164 381697531 /nfs/dbraw/zinc/69/75/31/381697531.db2.gz GXTNQYJLQZYSQO-CQSZACIVSA-N 2 0 274.368 2.832 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415007833 381700450 /nfs/dbraw/zinc/70/04/50/381700450.db2.gz RRTYNEHKYNSESB-OFQRWUPVSA-N 2 0 276.424 2.733 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000291189634 381701151 /nfs/dbraw/zinc/70/11/51/381701151.db2.gz LHNYULQVANBSKN-YOEHRIQHSA-N 2 0 258.409 2.944 20 0 CFADRP Clc1ccccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009292 381702895 /nfs/dbraw/zinc/70/28/95/381702895.db2.gz NUXHVCDHTPTOEU-DZGCQCFKSA-N 2 0 264.800 2.818 20 0 CFADRP CCOC(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680904 381704079 /nfs/dbraw/zinc/70/40/79/381704079.db2.gz DHQXSLYMUAUQRU-CABCVRRESA-N 2 0 296.455 2.572 20 0 CFADRP CCOc1ccccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415010649 381704241 /nfs/dbraw/zinc/70/42/41/381704241.db2.gz PQNVICNFUQQQOW-JKSUJKDBSA-N 2 0 274.408 2.563 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000415011000 381704609 /nfs/dbraw/zinc/70/46/09/381704609.db2.gz VOLWKVCSPKGKFE-RKDXNWHRSA-N 2 0 293.358 2.769 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000415011705 381706085 /nfs/dbraw/zinc/70/60/85/381706085.db2.gz HYAYXPOUICGKRG-AWEZNQCLSA-N 2 0 286.423 2.992 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000415012545 381706091 /nfs/dbraw/zinc/70/60/91/381706091.db2.gz JIPWACWOAKZBSJ-LLVKDONJSA-N 2 0 280.803 2.595 20 0 CFADRP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415011656 381706125 /nfs/dbraw/zinc/70/61/25/381706125.db2.gz RBUMAQYBOJJWMN-GOEBONIOSA-N 2 0 262.372 2.612 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(OC)CCCCC2)C1 ZINC000359974534 381707331 /nfs/dbraw/zinc/70/73/31/381707331.db2.gz HMDPMZFEXONVDL-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]CCCCOc2ccccc2)C1 ZINC000415013620 381707937 /nfs/dbraw/zinc/70/79/37/381707937.db2.gz YOXGFYCPCLACTC-JKSUJKDBSA-N 2 0 276.424 2.953 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000415041551 381730130 /nfs/dbraw/zinc/73/01/30/381730130.db2.gz PYZRSWXOCMNVRU-RNCFNFMXSA-N 2 0 256.752 2.696 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000415043951 381730869 /nfs/dbraw/zinc/73/08/69/381730869.db2.gz RSNJYVKBNYZABT-HNNXBMFYSA-N 2 0 262.397 2.576 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1SC ZINC000415042848 381731167 /nfs/dbraw/zinc/73/11/67/381731167.db2.gz RILISMZXXMVVDI-WCQYABFASA-N 2 0 280.437 2.634 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415049597 381734013 /nfs/dbraw/zinc/73/40/13/381734013.db2.gz DPQVYGZCZRKKFP-BFYDXBDKSA-N 2 0 260.425 2.782 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415053696 381737597 /nfs/dbraw/zinc/73/75/97/381737597.db2.gz MRJVXXUJEBFCEI-KNXWPPODSA-N 2 0 293.499 2.619 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000415052896 381738689 /nfs/dbraw/zinc/73/86/89/381738689.db2.gz LXNGYTCRSVEBLJ-UKRRQHHQSA-N 2 0 264.438 2.809 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]1C ZINC000415053292 381738921 /nfs/dbraw/zinc/73/89/21/381738921.db2.gz MKRBVYPHBSYDDW-BNEJOAPWSA-N 2 0 293.499 2.617 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415055724 381740928 /nfs/dbraw/zinc/74/09/28/381740928.db2.gz RIUZEFILAKKZJF-IAGOWNOFSA-N 2 0 286.419 2.586 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@@]1(C)C[NH3+] ZINC000415058082 381743593 /nfs/dbraw/zinc/74/35/93/381743593.db2.gz RHDBSZPGNWRIFI-RDTXWAMCSA-N 2 0 288.435 2.892 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000415059640 381745467 /nfs/dbraw/zinc/74/54/67/381745467.db2.gz VFEUJLHWDRSNLQ-MRXNPFEDSA-N 2 0 273.355 2.791 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415060518 381747457 /nfs/dbraw/zinc/74/74/57/381747457.db2.gz YNBJWKIRSIRCTP-NVXWUHKLSA-N 2 0 288.435 2.968 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000415060568 381747517 /nfs/dbraw/zinc/74/75/17/381747517.db2.gz YRIPZWIVSCXUQH-SJORKVTESA-N 2 0 288.435 2.968 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC3CC3)CC2)C[C@H](C)O1 ZINC000360047748 381749502 /nfs/dbraw/zinc/74/95/02/381749502.db2.gz YEZFFZJOFUIUHE-GASCZTMLSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCC[NH2+]C1CC1 ZINC000415064455 381750030 /nfs/dbraw/zinc/75/00/30/381750030.db2.gz COLFCLSIXMEVJK-ZDUSSCGKSA-N 2 0 264.388 2.879 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CCC[NH2+]C2CC2)c(F)c1 ZINC000415070217 381755574 /nfs/dbraw/zinc/75/55/74/381755574.db2.gz QCDIDVFHYSGAPC-HNQUOIGGSA-N 2 0 266.335 2.710 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCC[NH2+]C2)cc1F ZINC000415070643 381756470 /nfs/dbraw/zinc/75/64/70/381756470.db2.gz IUCAVBJQNXZFMB-ZFWWWQNUSA-N 2 0 294.414 2.745 20 0 CFADRP CCCn1c(C[NH2+][C@@H](C)CCC[NH3+])nc2ccccc21 ZINC000415025766 381718167 /nfs/dbraw/zinc/71/81/67/381718167.db2.gz ROQZRVBHESNBFQ-ZDUSSCGKSA-N 2 0 274.412 2.663 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000415025189 381718493 /nfs/dbraw/zinc/71/84/93/381718493.db2.gz QMHWGSCRBICBFM-JTQLQIEISA-N 2 0 255.431 2.658 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@@H](C)CCC[NH3+])O[C@@H](C)C2 ZINC000415025969 381718501 /nfs/dbraw/zinc/71/85/01/381718501.db2.gz SHDCVUMMTJEEHM-STQMWFEESA-N 2 0 292.423 2.626 20 0 CFADRP COc1ccc(F)cc1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000291238904 381719402 /nfs/dbraw/zinc/71/94/02/381719402.db2.gz QLUFXGXAWRHFHJ-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000415028043 381719644 /nfs/dbraw/zinc/71/96/44/381719644.db2.gz BYAYRNMDMYMQQR-NWDGAFQWSA-N 2 0 288.313 2.802 20 0 CFADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000415029240 381721326 /nfs/dbraw/zinc/72/13/26/381721326.db2.gz ZZGAZRYRAHTQIF-KBPBESRZSA-N 2 0 291.439 2.683 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000415030820 381721463 /nfs/dbraw/zinc/72/14/63/381721463.db2.gz FJPRQIQSNXXINN-QQUHWDOBSA-N 2 0 284.325 2.616 20 0 CFADRP CCCC1CCC(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415029404 381721569 /nfs/dbraw/zinc/72/15/69/381721569.db2.gz AYIWUYXCGKEIAC-GPANFISMSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000415035013 381724332 /nfs/dbraw/zinc/72/43/32/381724332.db2.gz KGLUUYGYJWJJQF-IUCAKERBSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)C1 ZINC000415035008 381724394 /nfs/dbraw/zinc/72/43/94/381724394.db2.gz KGKYHFKYSGRAKD-KDOFPFPSSA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000415035012 381725210 /nfs/dbraw/zinc/72/52/10/381725210.db2.gz KGLUUYGYJWJJQF-DTWKUNHWSA-N 2 0 289.242 2.728 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000415035042 381725263 /nfs/dbraw/zinc/72/52/63/381725263.db2.gz KJWUGOVHIXXQAO-WCQYABFASA-N 2 0 297.240 2.975 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccc2c1CCCN2 ZINC000415037595 381726510 /nfs/dbraw/zinc/72/65/10/381726510.db2.gz OYYMUXOHEWKKJY-UKRRQHHQSA-N 2 0 273.424 2.665 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415103275 381782765 /nfs/dbraw/zinc/78/27/65/381782765.db2.gz DAGYBOUTUXXVHX-ZFWWWQNUSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1C[NH3+] ZINC000415103198 381783215 /nfs/dbraw/zinc/78/32/15/381783215.db2.gz CTDFEVCMCDGDSO-XJKSGUPXSA-N 2 0 288.435 2.817 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415102814 381783364 /nfs/dbraw/zinc/78/33/64/381783364.db2.gz JXVMWRVWPIJQJF-QZTJIDSGSA-N 2 0 289.467 2.801 20 0 CFADRP CN(CC[NH3+])CCCCc1cccc(C(F)(F)F)c1 ZINC000415107788 381785375 /nfs/dbraw/zinc/78/53/75/381785375.db2.gz LQQUHYAGFSBOFL-UHFFFAOYSA-N 2 0 274.330 2.919 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343544298 381785714 /nfs/dbraw/zinc/78/57/14/381785714.db2.gz WZYUIHXHRTZBOT-HUUCEWRRSA-N 2 0 298.471 2.913 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(C)nc1 ZINC000348999136 381786386 /nfs/dbraw/zinc/78/63/86/381786386.db2.gz DVGYETLVCSDOQJ-UHFFFAOYSA-N 2 0 298.434 2.869 20 0 CFADRP [NH3+]C1CCC([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000415113606 381787958 /nfs/dbraw/zinc/78/79/58/381787958.db2.gz WRGWQAROUGCUHJ-OTBWCIGPSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000415112202 381788030 /nfs/dbraw/zinc/78/80/30/381788030.db2.gz PZYDMAFHGYZNEA-CJNGLKHVSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H](C[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccc(F)cc1F ZINC000415116671 381788788 /nfs/dbraw/zinc/78/87/88/381788788.db2.gz UZACMTPOLNGGSY-XHDPSFHLSA-N 2 0 268.351 2.658 20 0 CFADRP CC(C)([NH3+])C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000415121347 381791957 /nfs/dbraw/zinc/79/19/57/381791957.db2.gz KBAGKHUQDMPQPE-OAHLLOKOSA-N 2 0 258.409 2.993 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCc1c(F)cccc1Cl ZINC000415121172 381792419 /nfs/dbraw/zinc/79/24/19/381792419.db2.gz HNPXERFNJHRSIY-UHFFFAOYSA-N 2 0 272.795 2.953 20 0 CFADRP c1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000415120132 381792840 /nfs/dbraw/zinc/79/28/40/381792840.db2.gz IROKIJTUTIIDHP-WBVHZDCISA-N 2 0 274.408 2.529 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H]1CC=CCC1 ZINC000349022685 381794757 /nfs/dbraw/zinc/79/47/57/381794757.db2.gz DFXVMMOMXBJZNA-ROUUACIJSA-N 2 0 293.499 2.691 20 0 CFADRP C[C@@H]1CC[N@H+](CCSCc2ccccc2)C[C@H]1C[NH3+] ZINC000415125365 381794955 /nfs/dbraw/zinc/79/49/55/381794955.db2.gz LARGPAFAKVHNOT-GDBMZVCRSA-N 2 0 278.465 2.837 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415074828 381761355 /nfs/dbraw/zinc/76/13/55/381761355.db2.gz AWHAGJTTZHCHKA-ZBFHGGJFSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415129929 381798901 /nfs/dbraw/zinc/79/89/01/381798901.db2.gz ZYDRCKFTOHZPTF-QAPCUYQASA-N 2 0 298.434 2.552 20 0 CFADRP CC(C)([NH3+])C[NH2+]CCc1ccccc1C(F)(F)F ZINC000415078591 381762858 /nfs/dbraw/zinc/76/28/58/381762858.db2.gz IXYNMJKYLBIMHW-UHFFFAOYSA-N 2 0 260.303 2.575 20 0 CFADRP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)Cc1cccs1 ZINC000415078240 381763754 /nfs/dbraw/zinc/76/37/54/381763754.db2.gz GFXUQKKLVCIIER-PNESKVBLSA-N 2 0 252.427 2.786 20 0 CFADRP COc1cc(CC[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1C ZINC000415078943 381763914 /nfs/dbraw/zinc/76/39/14/381763914.db2.gz HIQSZGXAOITSFC-ZBFHGGJFSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000415079380 381766055 /nfs/dbraw/zinc/76/60/55/381766055.db2.gz JZYVHMLOOSSKQG-KBMXLJTQSA-N 2 0 258.409 2.837 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415081169 381766241 /nfs/dbraw/zinc/76/62/41/381766241.db2.gz JZFUZLKLDNCZIP-HZPDHXFCSA-N 2 0 260.425 2.966 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000415081611 381767909 /nfs/dbraw/zinc/76/79/09/381767909.db2.gz KMBUMICEXCGIRZ-UKRRQHHQSA-N 2 0 292.423 2.714 20 0 CFADRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000185893192 381771576 /nfs/dbraw/zinc/77/15/76/381771576.db2.gz RMTHUEJJHQHGNE-UHFFFAOYSA-N 2 0 295.496 2.562 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000415086927 381773435 /nfs/dbraw/zinc/77/34/35/381773435.db2.gz VJRGGTGUHNNQON-ULQDDVLXSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000415087717 381773629 /nfs/dbraw/zinc/77/36/29/381773629.db2.gz UBZPTUVKAQYBTL-STQMWFEESA-N 2 0 282.815 2.697 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC000415087698 381773823 /nfs/dbraw/zinc/77/38/23/381773823.db2.gz WJDVHKKHRZOXIO-VXGBXAGGSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC000415087696 381773867 /nfs/dbraw/zinc/77/38/67/381773867.db2.gz WJDVHKKHRZOXIO-RYUDHWBXSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2Cl)CC[NH2+]1 ZINC000415089761 381774568 /nfs/dbraw/zinc/77/45/68/381774568.db2.gz WXNWSPNQYKRQFC-WDEREUQCSA-N 2 0 270.779 2.957 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089622 381775129 /nfs/dbraw/zinc/77/51/29/381775129.db2.gz YZXRPZAQWLHVSZ-BRWVUGGUSA-N 2 0 281.488 2.761 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415089234 381775705 /nfs/dbraw/zinc/77/57/05/381775705.db2.gz YOCHIBYTRBSYLW-XUWVNRHRSA-N 2 0 268.445 2.844 20 0 CFADRP CC(C)(C[NH2+]C[C@]1(C)CC[NH2+]C1)c1ccccc1F ZINC000415089938 381775741 /nfs/dbraw/zinc/77/57/41/381775741.db2.gz ZIRATZMFGPLLLG-MRXNPFEDSA-N 2 0 264.388 2.693 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415089191 381775962 /nfs/dbraw/zinc/77/59/62/381775962.db2.gz YLUSIBMGGDJCJT-MRXNPFEDSA-N 2 0 276.424 2.804 20 0 CFADRP c1ccc2c(c1)cccc2OCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415091871 381776990 /nfs/dbraw/zinc/77/69/90/381776990.db2.gz RMXBWIZZRGRQRF-MRXNPFEDSA-N 2 0 284.403 2.950 20 0 CFADRP CCOCCC1(C[NH2+]C[C@]2(C)CC[NH2+]C2)CCCC1 ZINC000415091491 381777091 /nfs/dbraw/zinc/77/70/91/381777091.db2.gz QHDRGYDUTDPCDM-OAHLLOKOSA-N 2 0 268.445 2.563 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)Cc1cccs1 ZINC000415090368 381777157 /nfs/dbraw/zinc/77/71/57/381777157.db2.gz ZCQAPACAXLVSHS-MELADBBJSA-N 2 0 266.454 2.904 20 0 CFADRP c1ccc2c(c1)cccc2OCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415091870 381777419 /nfs/dbraw/zinc/77/74/19/381777419.db2.gz RMXBWIZZRGRQRF-INIZCTEOSA-N 2 0 284.403 2.950 20 0 CFADRP c1c2ccccc2oc1CC[NH2+]CC1CC[NH2+]CC1 ZINC000415092207 381777779 /nfs/dbraw/zinc/77/77/79/381777779.db2.gz SGOBFTZULHPSHZ-UHFFFAOYSA-N 2 0 258.365 2.565 20 0 CFADRP c1c2ccccc2oc1CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415093809 381779160 /nfs/dbraw/zinc/77/91/60/381779160.db2.gz WCMSHGZKVJLXFN-CYBMUJFWSA-N 2 0 258.365 2.565 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000415094991 381779537 /nfs/dbraw/zinc/77/95/37/381779537.db2.gz YLWWDCORRIMLHG-CYBMUJFWSA-N 2 0 270.779 2.753 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1c(C)noc1C ZINC000415092914 381779724 /nfs/dbraw/zinc/77/97/24/381779724.db2.gz UIOCIJBDHCUMRF-BPCQOVAHSA-N 2 0 251.374 2.602 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292873930 381878379 /nfs/dbraw/zinc/87/83/79/381878379.db2.gz DIVGYKCIKLDDGG-GOSISDBHSA-N 2 0 288.435 2.655 20 0 CFADRP CSC1(C[NH2+]CC2(SC)CC[NH+](C)CC2)CCC1 ZINC000356374714 381846475 /nfs/dbraw/zinc/84/64/75/381846475.db2.gz XEBSACNFJXCAGC-UHFFFAOYSA-N 2 0 288.526 2.689 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@@H]2CN(C)C[C@H]2C)s1 ZINC000361579844 381847169 /nfs/dbraw/zinc/84/71/69/381847169.db2.gz UPOAPKIBTAZCMK-UHIISALHSA-N 2 0 252.427 2.527 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(OCC)c2)C1 ZINC000299172547 381852250 /nfs/dbraw/zinc/85/22/50/381852250.db2.gz TZHPSLVEVQDPDE-HNNXBMFYSA-N 2 0 292.423 2.612 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC2(C)C)CC1 ZINC000343644344 381866725 /nfs/dbraw/zinc/86/67/25/381866725.db2.gz RXHMLFHBAFDRRI-QGZVFWFLSA-N 2 0 287.451 2.717 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361897648 381870941 /nfs/dbraw/zinc/87/09/41/381870941.db2.gz UZISDTGEIZLEBS-BRWVUGGUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](CCC1CC1)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000186455233 381916070 /nfs/dbraw/zinc/91/60/70/381916070.db2.gz OWMXGLRRTLCDBW-CQSZACIVSA-N 2 0 288.439 2.824 20 0 CFADRP CC[C@H]1C[C@H](C[N@H+](CC)CCC[NH+]2CCCC2)CCO1 ZINC000349387820 381921232 /nfs/dbraw/zinc/92/12/32/381921232.db2.gz WVGYXZJFKLLIJR-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000186355160 381889424 /nfs/dbraw/zinc/88/94/24/381889424.db2.gz FVBOGNAZQURBEJ-JYJNAYRXSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccoc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000343771948 381932739 /nfs/dbraw/zinc/93/27/39/381932739.db2.gz VNDSIEOKJPLCQE-GJZGRUSLSA-N 2 0 280.412 2.567 20 0 CFADRP Cc1ccoc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343771947 381933546 /nfs/dbraw/zinc/93/35/46/381933546.db2.gz VNDSIEOKJPLCQE-GASCZTMLSA-N 2 0 280.412 2.567 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000356989132 381945071 /nfs/dbraw/zinc/94/50/71/381945071.db2.gz LAGZWQVCVGQARS-DOTOQJQBSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000293009341 381949155 /nfs/dbraw/zinc/94/91/55/381949155.db2.gz PPASCRISLURECH-ZWKOTPCHSA-N 2 0 288.435 2.528 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC000186565278 381950537 /nfs/dbraw/zinc/95/05/37/381950537.db2.gz GAVNRRWDJUMVMO-HUUCEWRRSA-N 2 0 293.430 2.502 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000357079908 382000949 /nfs/dbraw/zinc/00/09/49/382000949.db2.gz LSCKDMXVONPKBL-KRWDZBQOSA-N 2 0 287.407 2.670 20 0 CFADRP CCC[N@H+](CCOCC[NH3+])[C@@H](CC)c1ccccc1 ZINC000357110375 382012469 /nfs/dbraw/zinc/01/24/69/382012469.db2.gz XEUYJUBSDOMITG-INIZCTEOSA-N 2 0 264.413 2.825 20 0 CFADRP CC(C)c1ccc(C[N@H+](CCOCC[NH3+])C2CC2)cc1 ZINC000357027020 381974316 /nfs/dbraw/zinc/97/43/16/381974316.db2.gz IYCBVSCTUGULEW-UHFFFAOYSA-N 2 0 276.424 2.750 20 0 CFADRP COc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357038931 381982429 /nfs/dbraw/zinc/98/24/29/381982429.db2.gz AIWMNPGDWAWDSW-OAHLLOKOSA-N 2 0 274.408 2.517 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357042745 381984377 /nfs/dbraw/zinc/98/43/77/381984377.db2.gz FZCHSSXHAIPRIW-INIZCTEOSA-N 2 0 288.435 2.825 20 0 CFADRP CCOc1c(Cl)cccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357057054 381991496 /nfs/dbraw/zinc/99/14/96/381991496.db2.gz TYETWJCXNFOQGG-GXTWGEPZSA-N 2 0 294.826 2.780 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357060292 381992188 /nfs/dbraw/zinc/99/21/88/381992188.db2.gz XYGQESCFENOTQD-HNNXBMFYSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)C[NH+](C)C ZINC000293262523 382052534 /nfs/dbraw/zinc/05/25/34/382052534.db2.gz CBWMXDNQWNCHNV-CABCVRRESA-N 2 0 286.423 2.721 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)C1CCSCC1 ZINC000186948647 382053777 /nfs/dbraw/zinc/05/37/77/382053777.db2.gz GIPNTWXEALPJHL-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000362419547 382060940 /nfs/dbraw/zinc/06/09/40/382060940.db2.gz SRVKEAUERCTCTO-GOSISDBHSA-N 2 0 293.499 2.526 20 0 CFADRP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344009551 382066242 /nfs/dbraw/zinc/06/62/42/382066242.db2.gz BAKLFMNZXSSUAZ-MRXNPFEDSA-N 2 0 277.456 2.563 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000293176444 382019792 /nfs/dbraw/zinc/01/97/92/382019792.db2.gz VOQWBTHFNQRTMO-ZDUSSCGKSA-N 2 0 255.365 2.623 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000417308137 382035400 /nfs/dbraw/zinc/03/54/00/382035400.db2.gz FKGFCDRPENRFAI-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000351416893 382038661 /nfs/dbraw/zinc/03/86/61/382038661.db2.gz PVQGDXZPDHYREE-ZWKOTPCHSA-N 2 0 293.499 2.669 20 0 CFADRP COc1ccc(F)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000293399715 382108475 /nfs/dbraw/zinc/10/84/75/382108475.db2.gz XWFIPWHTTWXOKO-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000417851344 382083346 /nfs/dbraw/zinc/08/33/46/382083346.db2.gz YGDYWTVKTAUDGP-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP CCOC1CC(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000352011298 382126897 /nfs/dbraw/zinc/12/68/97/382126897.db2.gz BBTBWMLAHWMWIW-CIDNJEQPSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@H](F)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000352011216 382127159 /nfs/dbraw/zinc/12/71/59/382127159.db2.gz ACGWXJHIQRYBKM-KKUMJFAQSA-N 2 0 286.435 2.556 20 0 CFADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)C[NH+](C)C ZINC000293366770 382095837 /nfs/dbraw/zinc/09/58/37/382095837.db2.gz HSGGKBCVTHLRKS-PBHICJAKSA-N 2 0 260.425 2.795 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000376836067 382182526 /nfs/dbraw/zinc/18/25/26/382182526.db2.gz XQPPFEKZRIIOEO-BFHYXJOUSA-N 2 0 256.459 2.590 20 0 CFADRP Cc1nocc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000293453821 382130238 /nfs/dbraw/zinc/13/02/38/382130238.db2.gz CTSIVIJCKFYSFY-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C[C@@H]1OC ZINC000344109196 382133758 /nfs/dbraw/zinc/13/37/58/382133758.db2.gz LQPDHMKGODNEMX-KGLIPLIRSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000344179767 382183630 /nfs/dbraw/zinc/18/36/30/382183630.db2.gz LSUGUMLANZOOHM-BPQIPLTHSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccco1 ZINC000344133481 382149172 /nfs/dbraw/zinc/14/91/72/382149172.db2.gz PZNYQBDZQYJIMQ-UHFFFAOYSA-N 2 0 282.347 2.501 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000352053983 382151143 /nfs/dbraw/zinc/15/11/43/382151143.db2.gz XZYMJXAZDJFNOK-HOTGVXAUSA-N 2 0 297.487 2.534 20 0 CFADRP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(C(C)C)n1 ZINC000301378170 382162893 /nfs/dbraw/zinc/16/28/93/382162893.db2.gz XEPFZUBTGMPXPN-AWEZNQCLSA-N 2 0 276.428 2.686 20 0 CFADRP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc(C(C)C)n1 ZINC000301378171 382163593 /nfs/dbraw/zinc/16/35/93/382163593.db2.gz XEPFZUBTGMPXPN-CQSZACIVSA-N 2 0 276.428 2.686 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2occc2C)CC1 ZINC000344205562 382197161 /nfs/dbraw/zinc/19/71/61/382197161.db2.gz CTBGKMJKSYUSQL-UHFFFAOYSA-N 2 0 250.386 2.800 20 0 CFADRP Cc1ccnc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000362680481 382197188 /nfs/dbraw/zinc/19/71/88/382197188.db2.gz JHHHGEVMFBKUIC-WMZOPIPTSA-N 2 0 296.418 2.914 20 0 CFADRP c1cc2c(cccc2C[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)[nH]1 ZINC000362720181 382213639 /nfs/dbraw/zinc/21/36/39/382213639.db2.gz STCJMQBJWAHTSG-JKSUJKDBSA-N 2 0 299.418 2.511 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000377120535 382220052 /nfs/dbraw/zinc/22/00/52/382220052.db2.gz OZXOLFYITJHUJH-DUVNUKRYSA-N 2 0 287.407 2.519 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](C)[C@H](F)C1 ZINC000680334950 542304789 /nfs/dbraw/zinc/30/47/89/542304789.db2.gz PNDJWNFPHBSFGG-BLLLJJGKSA-N 2 0 288.370 2.756 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCO1 ZINC000680338960 542306761 /nfs/dbraw/zinc/30/67/61/542306761.db2.gz MLVIWJDJKUKXOD-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc12 ZINC000293788481 382280250 /nfs/dbraw/zinc/28/02/50/382280250.db2.gz UHYZXLMSVGODGZ-CMPLNLGQSA-N 2 0 294.468 2.792 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(OC2CCC2)CC1 ZINC000419310041 382281436 /nfs/dbraw/zinc/28/14/36/382281436.db2.gz WWYFKCXAMXVBIE-AWEZNQCLSA-N 2 0 266.429 2.504 20 0 CFADRP C[C@@](O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000187891537 382288846 /nfs/dbraw/zinc/28/88/46/382288846.db2.gz AZHFPCXPIVRNBM-KZNAEPCWSA-N 2 0 288.435 2.501 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](CC(C)C)OC)C1 ZINC000419215511 382247400 /nfs/dbraw/zinc/24/74/00/382247400.db2.gz MKMUSIILLSFFMC-JKSUJKDBSA-N 2 0 270.461 2.711 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000377283629 382247898 /nfs/dbraw/zinc/24/78/98/382247898.db2.gz SKWLVZMRHLKSBO-XOYOTBSWSA-N 2 0 288.435 2.664 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H](C)[C@@H](OC)C23CCC3)[C@@H](C)C1 ZINC000363911756 382250201 /nfs/dbraw/zinc/25/02/01/382250201.db2.gz UVTGPVRLVIFEFI-RFBLXINOSA-N 2 0 280.456 2.510 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293752912 382264696 /nfs/dbraw/zinc/26/46/96/382264696.db2.gz QMLMWHWYQKMPBY-AWEZNQCLSA-N 2 0 276.428 2.702 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000302588915 382272353 /nfs/dbraw/zinc/27/23/53/382272353.db2.gz UAUAZNGOSAVGDN-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1C1CCC1 ZINC000419374216 382303238 /nfs/dbraw/zinc/30/32/38/382303238.db2.gz OAPYLIZCNGYZPN-GJZGRUSLSA-N 2 0 268.470 2.688 20 0 CFADRP C[N@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCC(C)(C)C1 ZINC000377624975 382305434 /nfs/dbraw/zinc/30/54/34/382305434.db2.gz KABKYTYRNXTJDJ-IRXDYDNUSA-N 2 0 293.499 2.665 20 0 CFADRP Fc1ccc2ccnc(NCCn3ccnc3)c2c1 ZINC000352409822 382315493 /nfs/dbraw/zinc/31/54/93/382315493.db2.gz LWRBMALPARUWQZ-UHFFFAOYSA-N 2 0 256.284 2.683 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000357790587 382323988 /nfs/dbraw/zinc/32/39/88/382323988.db2.gz NHYQHGNVCPHRBU-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP c1cnn(C[C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000364599056 382334432 /nfs/dbraw/zinc/33/44/32/382334432.db2.gz KVQYTXLCMRVZOJ-KRWDZBQOSA-N 2 0 290.455 2.614 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CCCC1 ZINC000346136966 382334541 /nfs/dbraw/zinc/33/45/41/382334541.db2.gz PZFGKFFBNXDVOD-UHFFFAOYSA-N 2 0 270.380 2.950 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000188063512 382336854 /nfs/dbraw/zinc/33/68/54/382336854.db2.gz GPNQBUFPBVVFRI-MPTQWLOMSA-N 2 0 292.398 2.968 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCc2ccsc2)CC1 ZINC000420283383 382339548 /nfs/dbraw/zinc/33/95/48/382339548.db2.gz CCHWZRKRMHKMGH-GFCCVEGCSA-N 2 0 252.427 2.740 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CCO)CC3)CC2)C1 ZINC000188077009 382339801 /nfs/dbraw/zinc/33/98/01/382339801.db2.gz WBHLULDMRYPVQS-NVXWUHKLSA-N 2 0 294.483 2.782 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CCCCO2)C1 ZINC000364619955 382341261 /nfs/dbraw/zinc/34/12/61/382341261.db2.gz SJCNCWHBBFHQOT-SJORKVTESA-N 2 0 280.456 2.896 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2sccc2c1 ZINC000352455409 382341356 /nfs/dbraw/zinc/34/13/56/382341356.db2.gz YTGLYHHDORLDAN-RISCZKNCSA-N 2 0 260.406 2.941 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420298876 382349858 /nfs/dbraw/zinc/34/98/58/382349858.db2.gz IEINMUKBKYHPDJ-CABCVRRESA-N 2 0 270.486 2.984 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000680470638 542328106 /nfs/dbraw/zinc/32/81/06/542328106.db2.gz KNAKYFHIFHRCGF-YPMHNXCESA-N 2 0 281.469 2.875 20 0 CFADRP CC(C)(C[NH2+]C1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000357861376 382353034 /nfs/dbraw/zinc/35/30/34/382353034.db2.gz XGIMQLMMOUFKTB-UHFFFAOYSA-N 2 0 272.436 2.865 20 0 CFADRP CC1CCN(C(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000303257612 382353828 /nfs/dbraw/zinc/35/38/28/382353828.db2.gz JRPBQWVNQHYNNV-HNNXBMFYSA-N 2 0 294.487 2.753 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420306625 382355225 /nfs/dbraw/zinc/35/52/25/382355225.db2.gz QOUKOCVMSPOUOU-WBVHZDCISA-N 2 0 288.435 2.702 20 0 CFADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420306624 382355285 /nfs/dbraw/zinc/35/52/85/382355285.db2.gz QOUKOCVMSPOUOU-RDJZCZTQSA-N 2 0 288.435 2.702 20 0 CFADRP C([NH2+]C1CCC2(CCCO2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000364849541 382355837 /nfs/dbraw/zinc/35/58/37/382355837.db2.gz MITWNUZPJUBBAJ-UHFFFAOYSA-N 2 0 292.467 2.942 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420307492 382358083 /nfs/dbraw/zinc/35/80/83/382358083.db2.gz IRWYXGLEDKNZLY-CYBMUJFWSA-N 2 0 264.438 2.969 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420311321 382360077 /nfs/dbraw/zinc/36/00/77/382360077.db2.gz GVROANCDHKMCLD-NEPJUHHUSA-N 2 0 250.411 2.578 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000365058322 382360871 /nfs/dbraw/zinc/36/08/71/382360871.db2.gz ZRUZDLNPYGCNNA-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420388377 382396829 /nfs/dbraw/zinc/39/68/29/382396829.db2.gz WWVVALWVBOEOPH-KRWDZBQOSA-N 2 0 292.398 2.670 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H]3CCc4c3cccc4Cl)C[C@H]12 ZINC000420313798 382362022 /nfs/dbraw/zinc/36/20/22/382362022.db2.gz UNRQZEYDTCAGEM-SUZRMVIJSA-N 2 0 276.811 2.996 20 0 CFADRP CC(C)[C@H](CO)[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420315172 382362543 /nfs/dbraw/zinc/36/25/43/382362543.db2.gz ZWLYPWJPNJLOEU-WMZOPIPTSA-N 2 0 290.451 2.505 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000420320508 382366410 /nfs/dbraw/zinc/36/64/10/382366410.db2.gz QKTQIOWLSYIJJN-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP Cc1sccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000293985625 382366462 /nfs/dbraw/zinc/36/64/62/382366462.db2.gz RRIUVLSQSINDLE-CQSZACIVSA-N 2 0 250.411 2.584 20 0 CFADRP c1sc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1C1CC1 ZINC000420319811 382367386 /nfs/dbraw/zinc/36/73/86/382367386.db2.gz ANVVCNRBXMVMLJ-KGLIPLIRSA-N 2 0 291.464 2.842 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420322182 382368422 /nfs/dbraw/zinc/36/84/22/382368422.db2.gz SDJROUUAEXVDFD-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCOCC[C@H]1C ZINC000365270834 382370002 /nfs/dbraw/zinc/37/00/02/382370002.db2.gz UINUYPRPVDXDOP-OAHLLOKOSA-N 2 0 285.391 2.792 20 0 CFADRP CC[N@@H+](CCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420327792 382370534 /nfs/dbraw/zinc/37/05/34/382370534.db2.gz YSVOEJDLJMYZAM-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP Fc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420325729 382370708 /nfs/dbraw/zinc/37/07/08/382370708.db2.gz WTBRWNPCGXWJCL-YOEHRIQHSA-N 2 0 292.398 2.589 20 0 CFADRP Fc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420326833 382370790 /nfs/dbraw/zinc/37/07/90/382370790.db2.gz XVRPPZBNKQZRQB-XJKSGUPXSA-N 2 0 262.372 2.962 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]CC[C@H]2CC[NH2+]C2)sc1C ZINC000420327427 382371405 /nfs/dbraw/zinc/37/14/05/382371405.db2.gz YXEZKZLXXRAZOS-GFCCVEGCSA-N 2 0 267.442 2.584 20 0 CFADRP CCC1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420326334 382371536 /nfs/dbraw/zinc/37/15/36/382371536.db2.gz XGMMEWVJIIWEHQ-MRXNPFEDSA-N 2 0 276.424 2.860 20 0 CFADRP Fc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c(F)c1 ZINC000420328573 382373439 /nfs/dbraw/zinc/37/34/39/382373439.db2.gz ZZHIWJYUEQVRJZ-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000420328389 382374134 /nfs/dbraw/zinc/37/41/34/382374134.db2.gz MIZFMYLGDIHWGC-ZACQAIPSSA-N 2 0 294.483 2.890 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420339371 382375871 /nfs/dbraw/zinc/37/58/71/382375871.db2.gz YPBADPJTVQONHE-QZTJIDSGSA-N 2 0 272.436 2.859 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000357923697 382376370 /nfs/dbraw/zinc/37/63/70/382376370.db2.gz CZAIEKCEQBPMJS-UHFFFAOYSA-N 2 0 297.830 2.682 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000420347632 382377528 /nfs/dbraw/zinc/37/75/28/382377528.db2.gz HPPCMGMTAKFJGR-OAHLLOKOSA-N 2 0 264.438 2.756 20 0 CFADRP CC(C)n1cc(C[N@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352524861 382379380 /nfs/dbraw/zinc/37/93/80/382379380.db2.gz DEUPSKLMBOUEJV-UHFFFAOYSA-N 2 0 278.444 2.805 20 0 CFADRP Cc1ncccc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352525402 382380366 /nfs/dbraw/zinc/38/03/66/382380366.db2.gz GIGGLKSIDHUSQT-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP c1nn([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c2ccccc12 ZINC000420357999 382382273 /nfs/dbraw/zinc/38/22/73/382382273.db2.gz IOIGCZLNVSVGNP-RDJZCZTQSA-N 2 0 298.434 2.673 20 0 CFADRP CC[C@H](C[NH2+]C1CC(OC(C)(C)C)C1)N1CCCC1 ZINC000352567087 382398055 /nfs/dbraw/zinc/39/80/55/382398055.db2.gz HMOAVNRUFGLPTA-SHARSMKWSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)c(F)c1 ZINC000420364025 382385795 /nfs/dbraw/zinc/38/57/95/382385795.db2.gz CKPMWTNBKUOEBE-NSHDSACASA-N 2 0 270.779 2.911 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541038 382388035 /nfs/dbraw/zinc/38/80/35/382388035.db2.gz SUGZTNIKEZRFAS-FUHWJXTLSA-N 2 0 272.436 2.941 20 0 CFADRP Clc1ccccc1O[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420365721 382388039 /nfs/dbraw/zinc/38/80/39/382388039.db2.gz FHKAEMQNUCEKOO-KGLIPLIRSA-N 2 0 294.826 2.793 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCCC1CCOCC1 ZINC000420371014 382391367 /nfs/dbraw/zinc/39/13/67/382391367.db2.gz WQLICGGJHPXTFF-HNNXBMFYSA-N 2 0 268.445 2.561 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+](CC2CC2)CC2CC2)cc1 ZINC000420296783 382348010 /nfs/dbraw/zinc/34/80/10/382348010.db2.gz DVQILHZNUQVXPE-QGZVFWFLSA-N 2 0 288.435 2.860 20 0 CFADRP C[C@H](CC1CCCCC1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000680472210 542327722 /nfs/dbraw/zinc/32/77/22/542327722.db2.gz GUIIKDHJEYCVFQ-KBMXLJTQSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1C ZINC000352635065 382426477 /nfs/dbraw/zinc/42/64/77/382426477.db2.gz BQWQYXBSYQYEDA-ZBFHGGJFSA-N 2 0 298.434 2.659 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000358048334 382429372 /nfs/dbraw/zinc/42/93/72/382429372.db2.gz PMVPKFQHNBFALL-ROUUACIJSA-N 2 0 270.420 2.618 20 0 CFADRP Cc1n[nH]cc1C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000378335708 382438758 /nfs/dbraw/zinc/43/87/58/382438758.db2.gz RTPRINLSHNXHHG-UHFFFAOYSA-N 2 0 290.455 2.662 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCOc2ccccc21 ZINC000378336268 382439428 /nfs/dbraw/zinc/43/94/28/382439428.db2.gz RXSRDQRQTWYTND-HZPDHXFCSA-N 2 0 288.435 2.826 20 0 CFADRP CN(C[C@@H]1CCC[N@@H+]1C)c1ccnc2ccsc21 ZINC000420639026 382439640 /nfs/dbraw/zinc/43/96/40/382439640.db2.gz QUZWEYWUUYZLSD-NSHDSACASA-N 2 0 261.394 2.827 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2F)[C@H](C)C1 ZINC000358085829 382445598 /nfs/dbraw/zinc/44/55/98/382445598.db2.gz NOPKTRAOEGOQEJ-HIFRSBDPSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420405435 382399459 /nfs/dbraw/zinc/39/94/59/382399459.db2.gz MVTVPUXPBYVUPV-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420405433 382399681 /nfs/dbraw/zinc/39/96/81/382399681.db2.gz MVTVPUXPBYVUPV-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000420405398 382399944 /nfs/dbraw/zinc/39/99/44/382399944.db2.gz MUENFMAGBMMACC-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420403740 382400171 /nfs/dbraw/zinc/40/01/71/382400171.db2.gz RNKGWCBMSVYBPE-AEFFLSMTSA-N 2 0 288.435 2.920 20 0 CFADRP CC[NH+](CC)CC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000188376334 382402571 /nfs/dbraw/zinc/40/25/71/382402571.db2.gz BARKTJDOAQCJMY-UHFFFAOYSA-N 2 0 291.439 2.809 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCCCCC1 ZINC000346547085 382405826 /nfs/dbraw/zinc/40/58/26/382405826.db2.gz AQVGSHJWTKKXRS-OAHLLOKOSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365512533 382405968 /nfs/dbraw/zinc/40/59/68/382405968.db2.gz LSEJPINIKVZDIS-FPMFFAJLSA-N 2 0 296.361 2.842 20 0 CFADRP CC1(C)CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000346562701 382414920 /nfs/dbraw/zinc/41/49/20/382414920.db2.gz QXCCLMHPIMEEJG-ZBFHGGJFSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000346641824 382451340 /nfs/dbraw/zinc/45/13/40/382451340.db2.gz OTDMZUXOLMNPDR-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000346643353 382452057 /nfs/dbraw/zinc/45/20/57/382452057.db2.gz CWIBIJFSGORWOA-MWLCHTKSSA-N 2 0 288.313 2.596 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@H]1c1ccccc1 ZINC000365829640 382452569 /nfs/dbraw/zinc/45/25/69/382452569.db2.gz YCNXQFCVYIURIZ-KZNAEPCWSA-N 2 0 286.419 2.962 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000346653700 382457280 /nfs/dbraw/zinc/45/72/80/382457280.db2.gz FDZOQCJEPQPQOC-KDOFPFPSSA-N 2 0 281.403 2.918 20 0 CFADRP CCN(CC)c1ncc(CN(C)CC[C@@H]([NH3+])C(C)C)s1 ZINC000346660240 382459878 /nfs/dbraw/zinc/45/98/78/382459878.db2.gz AINUDFFISKLCBZ-CQSZACIVSA-N 2 0 298.500 2.795 20 0 CFADRP CCCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OC ZINC000346669898 382463662 /nfs/dbraw/zinc/46/36/62/382463662.db2.gz JENLJOWQWQUAKV-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000358136133 382465311 /nfs/dbraw/zinc/46/53/11/382465311.db2.gz DSNVASROZLFHHQ-QWQRMKEZSA-N 2 0 288.435 2.699 20 0 CFADRP COCCOc1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000346677920 382468078 /nfs/dbraw/zinc/46/80/78/382468078.db2.gz LBESCKFYOSJASG-QGZVFWFLSA-N 2 0 294.439 2.517 20 0 CFADRP C[N@H+](C/C=C\c1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000346682693 382469036 /nfs/dbraw/zinc/46/90/36/382469036.db2.gz OQXSTEIXYLPIOI-PLNGDYQASA-N 2 0 250.361 2.756 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000378621478 382492858 /nfs/dbraw/zinc/49/28/58/382492858.db2.gz JMGKQNCGZIKTSD-FAEJEUNOSA-N 2 0 290.451 2.747 20 0 CFADRP CN(C)c1ncccc1CNc1cc[nH+]c2ccccc12 ZINC000346736919 382494270 /nfs/dbraw/zinc/49/42/70/382494270.db2.gz AHYKOHYOISVOGD-UHFFFAOYSA-N 2 0 278.359 2.730 20 0 CFADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1Cl ZINC000346694265 382478193 /nfs/dbraw/zinc/47/81/93/382478193.db2.gz TXESVOIXAUDCSP-UHFFFAOYSA-N 2 0 296.842 2.978 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1F ZINC000346807623 382522006 /nfs/dbraw/zinc/52/20/06/382522006.db2.gz TYHXBGJUPBSTEK-ZOWXZIJZSA-N 2 0 280.387 2.968 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc2cccnc12 ZINC000346813790 382526236 /nfs/dbraw/zinc/52/62/36/382526236.db2.gz AZPOJDOJLBWDDG-YESZJQIVSA-N 2 0 281.403 2.712 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@]1(C)C[NH3+] ZINC000314711253 382527045 /nfs/dbraw/zinc/52/70/45/382527045.db2.gz DDMMZQAHINLUEF-FZKQIMNGSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000311106030 382500421 /nfs/dbraw/zinc/50/04/21/382500421.db2.gz QVVCLFGEFVQEPL-ZJUUUORDSA-N 2 0 260.303 2.951 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379651742 382507034 /nfs/dbraw/zinc/50/70/34/382507034.db2.gz VJIDULUGBIHMQN-FUHWJXTLSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@H](CCN[C@H]1CCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000379646576 382507270 /nfs/dbraw/zinc/50/72/70/382507270.db2.gz FPDXZHRMEGIRRJ-NXHRZFHOSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000346778332 382507381 /nfs/dbraw/zinc/50/73/81/382507381.db2.gz AMRJDSZUSFQESR-GZBFAFLISA-N 2 0 290.407 2.591 20 0 CFADRP Fc1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311701333 382507550 /nfs/dbraw/zinc/50/75/50/382507550.db2.gz MAQGHCBQELWLPA-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP C[C@H](CCN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000379656287 382507665 /nfs/dbraw/zinc/50/76/65/382507665.db2.gz ORENSEKZOUTBKT-KBAYOESNSA-N 2 0 289.467 2.757 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000379896382 382509598 /nfs/dbraw/zinc/50/95/98/382509598.db2.gz HHOWJLIYNTXOQP-UONOGXRCSA-N 2 0 297.240 2.851 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)c2ccccc21 ZINC000312270716 382512653 /nfs/dbraw/zinc/51/26/53/382512653.db2.gz IJAJZDANMRDTQS-IXKJSCDLSA-N 2 0 274.408 2.520 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2)[C@H](C)C1 ZINC000346795629 382513484 /nfs/dbraw/zinc/51/34/84/382513484.db2.gz NDMDWVGEERURRH-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346820183 382528992 /nfs/dbraw/zinc/52/89/92/382528992.db2.gz JNMFFNOHIRETIR-RHSMWYFYSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cnc(C4CCC4)s3)C[C@H]12 ZINC000346843206 382539065 /nfs/dbraw/zinc/53/90/65/382539065.db2.gz XMMIKCCZZFRMTM-KWCYVHTRSA-N 2 0 277.437 2.580 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000383369302 382542770 /nfs/dbraw/zinc/54/27/70/382542770.db2.gz IAYXHMFFSKQGIQ-BBRMVZONSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346849283 382544549 /nfs/dbraw/zinc/54/45/49/382544549.db2.gz SAMHFRSSIDQQIB-SPUZQDLCSA-N 2 0 272.436 2.924 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000383474902 382544824 /nfs/dbraw/zinc/54/48/24/382544824.db2.gz CYKDMPLOUWPMNY-YNEHKIRRSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCCC[C@H]1C ZINC000353458389 382547039 /nfs/dbraw/zinc/54/70/39/382547039.db2.gz CPFSWFOYSFQAAA-SFFUCWETSA-N 2 0 293.499 2.712 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358287146 382548377 /nfs/dbraw/zinc/54/83/77/382548377.db2.gz AJEKALBPDSXCCL-WCXIOVBPSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384111653 382548926 /nfs/dbraw/zinc/54/89/26/382548926.db2.gz IUCGWBKOPXFTTI-DYVFJYSZSA-N 2 0 258.409 2.953 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000384328893 382551923 /nfs/dbraw/zinc/55/19/23/382551923.db2.gz SYVGNSFGLQWHTO-FGTMMUONSA-N 2 0 288.435 2.765 20 0 CFADRP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000384321049 382552256 /nfs/dbraw/zinc/55/22/56/382552256.db2.gz OVZJDPNDNLHKHO-HYVNUMGLSA-N 2 0 276.424 2.621 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)O1 ZINC000384516671 382554504 /nfs/dbraw/zinc/55/45/04/382554504.db2.gz AHTOVTXAUQDGAJ-FZCLSBEQSA-N 2 0 288.435 2.664 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384561100 382554654 /nfs/dbraw/zinc/55/46/54/382554654.db2.gz HSZXDHLOBJWEGR-GBJTYRQASA-N 2 0 256.434 2.652 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)O1 ZINC000384516669 382554708 /nfs/dbraw/zinc/55/47/08/382554708.db2.gz AHTOVTXAUQDGAJ-AHCXZYCDSA-N 2 0 288.435 2.664 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358298897 382555260 /nfs/dbraw/zinc/55/52/60/382555260.db2.gz MKBFLWGWDAYFNV-RHSMWYFYSA-N 2 0 298.434 2.611 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358298895 382555429 /nfs/dbraw/zinc/55/54/29/382555429.db2.gz MKBFLWGWDAYFNV-PBHICJAKSA-N 2 0 298.434 2.611 20 0 CFADRP COCCC1(C[NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000189150746 382555555 /nfs/dbraw/zinc/55/55/55/382555555.db2.gz DDCVZDBGSGJHCW-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358300475 382556369 /nfs/dbraw/zinc/55/63/69/382556369.db2.gz PBDXTBYQSULTDH-OUAUKWLOSA-N 2 0 284.391 2.600 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC000385785665 382576779 /nfs/dbraw/zinc/57/67/79/382576779.db2.gz MQKGMLVZJQPIFD-QGZVFWFLSA-N 2 0 298.434 2.692 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000353563604 382559434 /nfs/dbraw/zinc/55/94/34/382559434.db2.gz UIRZJGYRJWNJDC-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP c1c2ccccc2[nH]c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358310566 382561557 /nfs/dbraw/zinc/56/15/57/382561557.db2.gz YDPJZIZLSXTMHG-RDJZCZTQSA-N 2 0 283.419 2.927 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000358319764 382565751 /nfs/dbraw/zinc/56/57/51/382565751.db2.gz ONGZSXQORSRDAY-BMGDILEWSA-N 2 0 294.483 2.923 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]Cc1cnc2n1CCCC2 ZINC000367439865 382570582 /nfs/dbraw/zinc/57/05/82/382570582.db2.gz XWZOWPVYCLAWHF-AWEZNQCLSA-N 2 0 299.418 2.949 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc(-c4ccccn4)c3)C[C@H]12 ZINC000346828965 382532981 /nfs/dbraw/zinc/53/29/81/382532981.db2.gz NXSCPBMPYMWZQH-OKZBNKHCSA-N 2 0 293.414 2.918 20 0 CFADRP CC[C@@](C)(C[NH2+]CCC[N@@H+]1CCCC[C@H]1C)OC ZINC000319586034 382534583 /nfs/dbraw/zinc/53/45/83/382534583.db2.gz HQAJXTHLHZHZBD-CABCVRRESA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000319472329 382534912 /nfs/dbraw/zinc/53/49/12/382534912.db2.gz QSQINYOBKZSOQF-ZWKOTPCHSA-N 2 0 290.451 2.913 20 0 CFADRP Fc1ccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346835829 382536090 /nfs/dbraw/zinc/53/60/90/382536090.db2.gz OESOUYXJHIHERK-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353625053 382584733 /nfs/dbraw/zinc/58/47/33/382584733.db2.gz VIZIMKXJGGNOCW-SRVKXCTJSA-N 2 0 296.402 2.744 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)[C@H]2CCC[C@H]21 ZINC000353631601 382587252 /nfs/dbraw/zinc/58/72/52/382587252.db2.gz MERQWEFAYHFJGK-FGTMMUONSA-N 2 0 286.419 2.679 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C(C)(C)C)CC[NH+](C)CC1 ZINC000353638638 382589121 /nfs/dbraw/zinc/58/91/21/382589121.db2.gz BNHFRNGVCDTYTK-LBPRGKRZSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C(C)C ZINC000353638961 382589827 /nfs/dbraw/zinc/58/98/27/382589827.db2.gz CPRCRWDIMFIHLL-CYBMUJFWSA-N 2 0 258.475 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)[C@@H](C)C1 ZINC000358368274 382590550 /nfs/dbraw/zinc/59/05/50/382590550.db2.gz MEOAWMVTTRHWFI-UIDBIOKJSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000358369265 382591373 /nfs/dbraw/zinc/59/13/73/382591373.db2.gz PSKXGPCYPLFGLV-KDOFPFPSSA-N 2 0 298.434 2.517 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000386772327 382592086 /nfs/dbraw/zinc/59/20/86/382592086.db2.gz IFXHJCXZZHFFQF-SJLPKXTDSA-N 2 0 288.435 2.756 20 0 CFADRP C[N@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000386887774 382593501 /nfs/dbraw/zinc/59/35/01/382593501.db2.gz NBHOJICIYBUYIF-RTBURBONSA-N 2 0 295.430 2.853 20 0 CFADRP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358380689 382595192 /nfs/dbraw/zinc/59/51/92/382595192.db2.gz LODUPAZSVKPRBB-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000387247225 382597283 /nfs/dbraw/zinc/59/72/83/382597283.db2.gz CEGLHEAKYHHWRS-KRWDZBQOSA-N 2 0 297.402 2.777 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCC(C)C)[C@@H](C)C1 ZINC000358387704 382597584 /nfs/dbraw/zinc/59/75/84/382597584.db2.gz UPMIXEZGDZPKAU-KBPBESRZSA-N 2 0 258.475 2.696 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353664384 382600431 /nfs/dbraw/zinc/60/04/31/382600431.db2.gz XEDHVVAOYXKMLS-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000388812440 382609161 /nfs/dbraw/zinc/60/91/61/382609161.db2.gz APPYSRBEDGEDIK-CZPYZCIJSA-N 2 0 260.381 2.536 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000397626788 382633822 /nfs/dbraw/zinc/63/38/22/382633822.db2.gz LCONETXIIFFCBZ-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000393015562 382623170 /nfs/dbraw/zinc/62/31/70/382623170.db2.gz DNPBZPOUBPLNMJ-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)[C@@H](C)C1 ZINC000353749253 382625314 /nfs/dbraw/zinc/62/53/14/382625314.db2.gz VIVHJRVEGYNWEG-XJKSGUPXSA-N 2 0 286.423 2.725 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396434120 382631311 /nfs/dbraw/zinc/63/13/11/382631311.db2.gz XRFISPVJHHDBIL-UHFFFAOYSA-N 2 0 296.377 2.544 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2csc(C)n2)CC[NH+](C)CC1 ZINC000353617236 382580711 /nfs/dbraw/zinc/58/07/11/382580711.db2.gz CUZUFVDEUFOEPP-LLVKDONJSA-N 2 0 299.509 2.930 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC[NH+](C)CC1 ZINC000353624445 382582950 /nfs/dbraw/zinc/58/29/50/382582950.db2.gz QSICZASBZNCHRL-KGLIPLIRSA-N 2 0 268.470 2.592 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)C1CCCCC1 ZINC000190604135 382674744 /nfs/dbraw/zinc/67/47/44/382674744.db2.gz FWDVVXBQXDDCLH-IRXDYDNUSA-N 2 0 282.472 2.734 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CC2CCCC2)CC1 ZINC000190632141 382675554 /nfs/dbraw/zinc/67/55/54/382675554.db2.gz AMXIUXLQFVBRTM-KRWDZBQOSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCOCC(F)F)C1 ZINC000190900694 382684434 /nfs/dbraw/zinc/68/44/34/382684434.db2.gz YWBWKFNDHUPFOU-HIFRSBDPSA-N 2 0 298.377 2.693 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1C ZINC000194073950 382734638 /nfs/dbraw/zinc/73/46/38/382734638.db2.gz LRYMMIHZXJQPBO-SJORKVTESA-N 2 0 288.435 2.920 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCCN2C)cnn1C(C)C ZINC000191212302 382695817 /nfs/dbraw/zinc/69/58/17/382695817.db2.gz LRPGYDUOCTUMBE-GXTWGEPZSA-N 2 0 264.417 2.517 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000192245312 382705907 /nfs/dbraw/zinc/70/59/07/382705907.db2.gz POLIQPIYAACDJT-UONOGXRCSA-N 2 0 266.433 2.581 20 0 CFADRP c1nc(CNCc2cccc(C[NH+]3CCCC3)c2)co1 ZINC000192282992 382706593 /nfs/dbraw/zinc/70/65/93/382706593.db2.gz ORJNZBVYYDHRJO-UHFFFAOYSA-N 2 0 271.364 2.560 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000192390993 382708263 /nfs/dbraw/zinc/70/82/63/382708263.db2.gz JHSJTIBXTZMJTN-BBWFWOEESA-N 2 0 295.515 2.673 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000192513845 382709637 /nfs/dbraw/zinc/70/96/37/382709637.db2.gz BLCMJTHHMNQTOV-QWHCGFSZSA-N 2 0 273.380 2.510 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000336828638 382725050 /nfs/dbraw/zinc/72/50/50/382725050.db2.gz BVAKPRVLONCMMO-UHFFFAOYSA-N 2 0 282.472 2.905 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000336834579 382727905 /nfs/dbraw/zinc/72/79/05/382727905.db2.gz IFJYRBNGWROAFJ-QWHCGFSZSA-N 2 0 280.412 2.872 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCOC2)C1 ZINC000336841402 382732010 /nfs/dbraw/zinc/73/20/10/382732010.db2.gz ZXEPAYRIELTANK-KZNAEPCWSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000575235285 382732775 /nfs/dbraw/zinc/73/27/75/382732775.db2.gz AVDJVEVHPUEAGR-GJZGRUSLSA-N 2 0 270.486 2.838 20 0 CFADRP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1C ZINC000194181642 382736826 /nfs/dbraw/zinc/73/68/26/382736826.db2.gz PMSAZLZMCXLZFY-UHFFFAOYSA-N 2 0 264.413 2.681 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C(C)(C)C[NH+](C)C ZINC000575248582 382734315 /nfs/dbraw/zinc/73/43/15/382734315.db2.gz LYYUUGZHDQORJT-NVXWUHKLSA-N 2 0 292.467 2.546 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000220349848 382795681 /nfs/dbraw/zinc/79/56/81/382795681.db2.gz BHKNMWDYNSBBDY-APHBMKBZSA-N 2 0 262.372 2.693 20 0 CFADRP CC(C)[N@H+](C)CCCNCc1cc(F)c(F)c(F)c1 ZINC000219580835 382794208 /nfs/dbraw/zinc/79/42/08/382794208.db2.gz ZZIFJDHEPPYZCW-UHFFFAOYSA-N 2 0 274.330 2.924 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000337197605 382775079 /nfs/dbraw/zinc/77/50/79/382775079.db2.gz YTKCHBWCCAPCFK-LUKYLMHMSA-N 2 0 282.472 2.852 20 0 CFADRP CCC[C@@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000337210755 382777533 /nfs/dbraw/zinc/77/75/33/382777533.db2.gz CXFUMRZJUFADNT-CABCVRRESA-N 2 0 256.434 2.608 20 0 CFADRP CC(C)C[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337250158 382786050 /nfs/dbraw/zinc/78/60/50/382786050.db2.gz MJAGCFRRDNMNDR-SFHVURJKSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337253029 382786344 /nfs/dbraw/zinc/78/63/44/382786344.db2.gz PGJPFSRWRSCCMU-KRWDZBQOSA-N 2 0 281.488 2.523 20 0 CFADRP C[N@@H+](CCCC(=O)OC(C)(C)C)CCC[NH+]1CCCC1 ZINC000337268444 382789974 /nfs/dbraw/zinc/78/99/74/382789974.db2.gz KEBJJDKDEXLCGX-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c(C)c1 ZINC000219322806 382793101 /nfs/dbraw/zinc/79/31/01/382793101.db2.gz JAZOKOSOGHBADC-OAHLLOKOSA-N 2 0 264.413 2.532 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)s1 ZINC000219310759 382793353 /nfs/dbraw/zinc/79/33/53/382793353.db2.gz BNQPLCSHUFETNG-GFCCVEGCSA-N 2 0 270.442 2.539 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471871 382846702 /nfs/dbraw/zinc/84/67/02/382846702.db2.gz MKCABZXNASNBMR-NUEKZKHPSA-N 2 0 274.408 2.563 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Cl)s3)C[C@H]21 ZINC000228472921 382846783 /nfs/dbraw/zinc/84/67/83/382846783.db2.gz DUBDIGNXOQIBJU-MVWJERBFSA-N 2 0 270.829 2.961 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC000228473801 382847135 /nfs/dbraw/zinc/84/71/35/382847135.db2.gz ZNVAVYNCNBCNLW-BPLDGKMQSA-N 2 0 264.800 2.899 20 0 CFADRP C[C@H]1CCN(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000577070485 382847150 /nfs/dbraw/zinc/84/71/50/382847150.db2.gz OJUWIVXCADIGDN-XIRDDKMYSA-N 2 0 258.409 2.722 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(F)cc3F)C[C@H]21 ZINC000228472858 382847209 /nfs/dbraw/zinc/84/72/09/382847209.db2.gz IMGQTMAGUOSVGG-PSOPSSQASA-N 2 0 266.335 2.524 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000228534901 382847678 /nfs/dbraw/zinc/84/76/78/382847678.db2.gz OSXPUALOHDUILS-XLNGHYISSA-N 2 0 258.409 2.849 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000220929093 382796827 /nfs/dbraw/zinc/79/68/27/382796827.db2.gz KJJVBSWDUCRTOK-JKSUJKDBSA-N 2 0 296.455 2.526 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221910535 382799859 /nfs/dbraw/zinc/79/98/59/382799859.db2.gz NFZBRDZXZACGQR-HNNXBMFYSA-N 2 0 278.440 2.946 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000221880647 382799864 /nfs/dbraw/zinc/79/98/64/382799864.db2.gz DCCCBLGJJXYJAM-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP CC(C)COCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337324912 382801919 /nfs/dbraw/zinc/80/19/19/382801919.db2.gz UUPNZQMQCAUHDK-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCCN1CC ZINC000337328156 382802593 /nfs/dbraw/zinc/80/25/93/382802593.db2.gz DULZPEXFQICEDU-INIZCTEOSA-N 2 0 276.424 2.832 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC000575970977 382805547 /nfs/dbraw/zinc/80/55/47/382805547.db2.gz TYIYFEMETCZCNI-ZYHUDNBSSA-N 2 0 254.324 2.572 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cccs2)CC1 ZINC000337341485 382805979 /nfs/dbraw/zinc/80/59/79/382805979.db2.gz UWVBPCIHCDYRFG-UHFFFAOYSA-N 2 0 295.496 2.596 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337342732 382806211 /nfs/dbraw/zinc/80/62/11/382806211.db2.gz RNVFHFOPMVTZHM-AWEZNQCLSA-N 2 0 288.435 2.832 20 0 CFADRP c1cnn(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000337633554 382850405 /nfs/dbraw/zinc/85/04/05/382850405.db2.gz QNSWRJOAEYCHLQ-WMZOPIPTSA-N 2 0 296.418 2.589 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]CCC2CCCCCC2)CC1(C)C ZINC000576074585 382809669 /nfs/dbraw/zinc/80/96/69/382809669.db2.gz MIBAEKMSCONBAQ-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@H]1CCSC1)Cc1ccccc1 ZINC000224282646 382809952 /nfs/dbraw/zinc/80/99/52/382809952.db2.gz LOBPKUVZJIUIJI-MRXNPFEDSA-N 2 0 278.465 2.851 20 0 CFADRP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H]1CCCC[NH+]1C(C)C ZINC000576152077 382812188 /nfs/dbraw/zinc/81/21/88/382812188.db2.gz BHXPXBPUZQGBOD-SJORKVTESA-N 2 0 281.488 2.521 20 0 CFADRP Cc1ccc(CNCCC[N@@H+](C)C(C)C)cc1F ZINC000225190275 382813044 /nfs/dbraw/zinc/81/30/44/382813044.db2.gz AVSWIDFDTGRMHI-UHFFFAOYSA-N 2 0 252.377 2.954 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000576176132 382813402 /nfs/dbraw/zinc/81/34/02/382813402.db2.gz YSJDOASYHYIYIY-HNNXBMFYSA-N 2 0 290.455 2.898 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000576218797 382814493 /nfs/dbraw/zinc/81/44/93/382814493.db2.gz UUSPSWRPVRYRNM-UONOGXRCSA-N 2 0 264.413 2.776 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C)c1 ZINC000576597910 382828695 /nfs/dbraw/zinc/82/86/95/382828695.db2.gz BEFJCLWFELMFKC-CVEARBPZSA-N 2 0 275.440 2.681 20 0 CFADRP CC(C)[NH2+]CCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000576626731 382829874 /nfs/dbraw/zinc/82/98/74/382829874.db2.gz XODOHXXBKRHFPY-NSHDSACASA-N 2 0 255.793 2.774 20 0 CFADRP CC(C)C[C@H]([NH3+])CN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000576702879 382832848 /nfs/dbraw/zinc/83/28/48/382832848.db2.gz AYRZUEDTLGAKOC-ROUUACIJSA-N 2 0 289.467 2.614 20 0 CFADRP COCc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000227327004 382835830 /nfs/dbraw/zinc/83/58/30/382835830.db2.gz CPKNCCPRWDYZFR-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000227499461 382837157 /nfs/dbraw/zinc/83/71/57/382837157.db2.gz XNOCRSXACOFZNP-KRWDZBQOSA-N 2 0 272.436 2.865 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)o1 ZINC000227498196 382837229 /nfs/dbraw/zinc/83/72/29/382837229.db2.gz QWORGEYWJLDJFJ-ZDUSSCGKSA-N 2 0 250.386 2.971 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000227496846 382837245 /nfs/dbraw/zinc/83/72/45/382837245.db2.gz QHASGQXEFRFKRK-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000576836949 382838451 /nfs/dbraw/zinc/83/84/51/382838451.db2.gz GWGVXADZVWPNSX-HZPDHXFCSA-N 2 0 258.409 2.651 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337543514 382839939 /nfs/dbraw/zinc/83/99/39/382839939.db2.gz KBEBBRRXSRECSR-QWHCGFSZSA-N 2 0 276.371 2.609 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337567893 382843375 /nfs/dbraw/zinc/84/33/75/382843375.db2.gz ZKPPRWSSNIZUTD-KGLIPLIRSA-N 2 0 290.398 2.999 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2ccccc2OC1)C[NH+]1CCCC1 ZINC000493842899 382905312 /nfs/dbraw/zinc/90/53/12/382905312.db2.gz JHTYLKWQGUOASQ-WBVHZDCISA-N 2 0 288.435 2.702 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000493937081 382907954 /nfs/dbraw/zinc/90/79/54/382907954.db2.gz NGYXSFJKUIFTCF-QGZVFWFLSA-N 2 0 288.435 2.702 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000577327993 382855143 /nfs/dbraw/zinc/85/51/43/382855143.db2.gz PEFQSKSLQMTCPA-OWCLPIDISA-N 2 0 270.461 2.902 20 0 CFADRP CC[C@H](F)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000440792839 382883231 /nfs/dbraw/zinc/88/32/31/382883231.db2.gz NWENQCIAJFUFEJ-HNNXBMFYSA-N 2 0 279.403 2.978 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000578022877 382883728 /nfs/dbraw/zinc/88/37/28/382883728.db2.gz GQPZNOPGVPCPHH-SJORKVTESA-N 2 0 292.467 2.984 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000235665232 382884585 /nfs/dbraw/zinc/88/45/85/382884585.db2.gz NNYVELKBQGWTLG-AAEUAGOBSA-N 2 0 252.789 2.818 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1OC ZINC000578126560 382892993 /nfs/dbraw/zinc/89/29/93/382892993.db2.gz ZEPYINGHPOTSFK-CQSZACIVSA-N 2 0 294.439 2.613 20 0 CFADRP C[NH+](C)C1CC(NCc2cnc(-c3ccco3)s2)C1 ZINC000578337343 382911763 /nfs/dbraw/zinc/91/17/63/382911763.db2.gz CXUYXGSMDYCXIE-UHFFFAOYSA-N 2 0 277.393 2.585 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441384136 382911892 /nfs/dbraw/zinc/91/18/92/382911892.db2.gz MXIHPNHRNVAQQA-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000338012276 382901577 /nfs/dbraw/zinc/90/15/77/382901577.db2.gz LCRDFSQCISNUGC-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338015473 382902344 /nfs/dbraw/zinc/90/23/44/382902344.db2.gz ULRKNVYSUXNNLE-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338164948 382939336 /nfs/dbraw/zinc/93/93/36/382939336.db2.gz ALXRAXBFDGYUBY-DOTOQJQBSA-N 2 0 258.409 2.864 20 0 CFADRP Cc1ccc2[nH]c(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc2c1 ZINC000578726617 382947646 /nfs/dbraw/zinc/94/76/46/382947646.db2.gz JBFQPTDMERGSJH-SOUVJXGZSA-N 2 0 298.434 2.882 20 0 CFADRP COC1([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)CCCC1 ZINC000421855303 382949249 /nfs/dbraw/zinc/94/92/49/382949249.db2.gz MFDBTRWIBNWHJJ-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc2ccccc2c1 ZINC000422815566 532964382 /nfs/dbraw/zinc/96/43/82/532964382.db2.gz XXQJKPWNKHKQQJ-KGLIPLIRSA-N 2 0 272.392 2.934 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(F)cn1 ZINC000421873245 382955881 /nfs/dbraw/zinc/95/58/81/382955881.db2.gz HQRLLANMCBJVSM-XGNXJENSSA-N 2 0 265.376 2.744 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c(F)cn1 ZINC000421872508 382956024 /nfs/dbraw/zinc/95/60/24/382956024.db2.gz GYACEFYWZLHGNE-PNESKVBLSA-N 2 0 295.402 2.753 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000422754439 532964598 /nfs/dbraw/zinc/96/45/98/532964598.db2.gz FWHAZZXYXWDSNA-ZJUUUORDSA-N 2 0 271.202 2.665 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000578845907 382959760 /nfs/dbraw/zinc/95/97/60/382959760.db2.gz OHPDNKQOEGZANX-CABCVRRESA-N 2 0 276.424 2.531 20 0 CFADRP COc1nc2ccccc2cc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000534272413 382919478 /nfs/dbraw/zinc/91/94/78/382919478.db2.gz GXJLKUMPFHIJFT-CJNGLKHVSA-N 2 0 299.418 2.816 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000579004206 382974814 /nfs/dbraw/zinc/97/48/14/382974814.db2.gz GGOVARSWAMKFIF-YLFCFFPRSA-N 2 0 274.408 2.766 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422738112 382975649 /nfs/dbraw/zinc/97/56/49/382975649.db2.gz JEGSJJMAERVORP-JKSUJKDBSA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000422750215 382977768 /nfs/dbraw/zinc/97/77/68/382977768.db2.gz CLJRGCKNUDXDNF-BBWFWOEESA-N 2 0 258.409 2.794 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422752731 382978071 /nfs/dbraw/zinc/97/80/71/382978071.db2.gz FGZPUPPTMQGMNW-YVSFHVDLSA-N 2 0 295.515 2.721 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423021407 383016624 /nfs/dbraw/zinc/01/66/24/383016624.db2.gz CADHCAVKXZDQGJ-FKEKPDDDSA-N 2 0 273.424 2.752 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422816753 382981745 /nfs/dbraw/zinc/98/17/45/382981745.db2.gz BGWJKBNZSOSQIE-OIISXLGYSA-N 2 0 290.451 2.992 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829698 382982033 /nfs/dbraw/zinc/98/20/33/382982033.db2.gz HRSIOFIDVRNNAU-XIRDDKMYSA-N 2 0 275.440 2.941 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000422829692 382982643 /nfs/dbraw/zinc/98/26/43/382982643.db2.gz HRSIOFIDVRNNAU-DJIMGWMZSA-N 2 0 275.440 2.941 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422858069 382983853 /nfs/dbraw/zinc/98/38/53/382983853.db2.gz IEYAZQBPQGVTRK-XYPHTWIQSA-N 2 0 273.424 2.595 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@@H]2CCCCO2)C[C@H]1C ZINC000338310042 382987049 /nfs/dbraw/zinc/98/70/49/382987049.db2.gz XSUMHUAUHXVVGY-IXDOHACOSA-N 2 0 298.471 2.724 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000579140833 382987788 /nfs/dbraw/zinc/98/77/88/382987788.db2.gz SHPINQGTLNCGTC-LSDHHAIUSA-N 2 0 264.388 2.963 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422941458 382988505 /nfs/dbraw/zinc/98/85/05/382988505.db2.gz OOSCBRFBBVJIEX-XGWLTEMNSA-N 2 0 272.392 2.630 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2CCC(C[NH3+])CC2)C[C@H]1OC ZINC000422934443 382988772 /nfs/dbraw/zinc/98/87/72/382988772.db2.gz FZJPMLICFMIUQX-NEXFUWMNSA-N 2 0 268.445 2.687 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422962983 382989821 /nfs/dbraw/zinc/98/98/21/382989821.db2.gz DWUFQEISBLWLGE-FNBIGBAISA-N 2 0 265.401 2.502 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422945656 382989884 /nfs/dbraw/zinc/98/98/84/382989884.db2.gz NPCDNKOUBWQHNF-KGLIPLIRSA-N 2 0 252.789 2.742 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024153 383017411 /nfs/dbraw/zinc/01/74/11/383017411.db2.gz LCELMYXDNCCCMW-SRVKXCTJSA-N 2 0 299.821 2.773 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422972314 382990798 /nfs/dbraw/zinc/99/07/98/382990798.db2.gz KZMPAASFKOTQHW-SWHNLWLKSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422973206 382991549 /nfs/dbraw/zinc/99/15/49/382991549.db2.gz NZUIDDNTSDTDLX-ZDUSSCGKSA-N 2 0 277.412 2.620 20 0 CFADRP C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422976967 382992188 /nfs/dbraw/zinc/99/21/88/382992188.db2.gz FEOHTJDBNNFFNG-DYVFJYSZSA-N 2 0 258.409 2.522 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccco1 ZINC000422976114 382992405 /nfs/dbraw/zinc/99/24/05/382992405.db2.gz URBKYEYJBXISGI-ARFHVFGLSA-N 2 0 293.455 2.770 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccco1 ZINC000422977133 382992447 /nfs/dbraw/zinc/99/24/47/382992447.db2.gz WFHGWGNSEDSLFH-ARFHVFGLSA-N 2 0 293.455 2.640 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000422976115 382992793 /nfs/dbraw/zinc/99/27/93/382992793.db2.gz URBKYEYJBXISGI-BZUAXINKSA-N 2 0 293.455 2.770 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422977107 382992948 /nfs/dbraw/zinc/99/29/48/382992948.db2.gz JMVONTAFQVIOCA-DAXOMENPSA-N 2 0 262.397 2.573 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422974285 382993097 /nfs/dbraw/zinc/99/30/97/382993097.db2.gz QUDBUAGJLZCVDV-XFKAJCMBSA-N 2 0 288.435 2.834 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549040563 382996474 /nfs/dbraw/zinc/99/64/74/382996474.db2.gz BJSGWTZMALDMFU-KTQBOKQISA-N 2 0 292.467 2.533 20 0 CFADRP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422987194 382998013 /nfs/dbraw/zinc/99/80/13/382998013.db2.gz FRIQIYXTIJGZFL-KFWWJZLASA-N 2 0 296.480 2.990 20 0 CFADRP CC(C)CN1CCCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000447575864 382998266 /nfs/dbraw/zinc/99/82/66/382998266.db2.gz VGUUNMMLHJWQAE-QZWWFDLISA-N 2 0 294.483 2.900 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCC[NH3+])[C@H](C)[C@H]1OC ZINC000422988807 382998503 /nfs/dbraw/zinc/99/85/03/382998503.db2.gz LHUSANMTCWJJCG-XJFOESAGSA-N 2 0 256.434 2.543 20 0 CFADRP CC[C@H](NCCC[NH+](C(C)C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422988918 382999260 /nfs/dbraw/zinc/99/92/60/382999260.db2.gz ALVLNWOCPZVPMC-HOTGVXAUSA-N 2 0 269.477 2.616 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000423024539 383017879 /nfs/dbraw/zinc/01/78/79/383017879.db2.gz LWGDYUAHNUULCI-VQISRLSMSA-N 2 0 297.805 2.527 20 0 CFADRP c1ccc(CO[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422992269 382999975 /nfs/dbraw/zinc/99/99/75/382999975.db2.gz QYMTUJFENAZFOS-OKZBNKHCSA-N 2 0 288.435 2.856 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422992700 383000254 /nfs/dbraw/zinc/00/02/54/383000254.db2.gz DDYYMNWDMHCFLD-RHSMWYFYSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000422993502 383000537 /nfs/dbraw/zinc/00/05/37/383000537.db2.gz FTOIDRXQBRZXNO-CJODITQLSA-N 2 0 296.414 2.713 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000422998999 383002234 /nfs/dbraw/zinc/00/22/34/383002234.db2.gz XKHYAOWYKMMXJM-ZFVVBOAOSA-N 2 0 274.408 2.924 20 0 CFADRP Cc1nsc(C)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000579321461 383003641 /nfs/dbraw/zinc/00/36/41/383003641.db2.gz PUXJYRNLCYHCRE-AWEZNQCLSA-N 2 0 279.453 2.678 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000423001173 383003783 /nfs/dbraw/zinc/00/37/83/383003783.db2.gz WUJWTNQIBXDXGV-KGLIPLIRSA-N 2 0 269.392 2.964 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000245646985 383018236 /nfs/dbraw/zinc/01/82/36/383018236.db2.gz ZRYOTAJGHKSUOR-YYIAUSFCSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000423003101 383005294 /nfs/dbraw/zinc/00/52/94/383005294.db2.gz GXQWAGLYUFJQHS-SQPSOYEMSA-N 2 0 262.397 2.782 20 0 CFADRP CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423003425 383005757 /nfs/dbraw/zinc/00/57/57/383005757.db2.gz HUGSGNUCWRFTLO-JJXSEGSLSA-N 2 0 270.461 2.684 20 0 CFADRP CC(C)[NH+](CCCN[C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000423003135 383005875 /nfs/dbraw/zinc/00/58/75/383005875.db2.gz HCKSLQKRDWKZLG-CVEARBPZSA-N 2 0 269.477 2.616 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423004360 383007274 /nfs/dbraw/zinc/00/72/74/383007274.db2.gz OTINRNMULDHQQP-HIFRSBDPSA-N 2 0 282.815 2.574 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000423005804 383007397 /nfs/dbraw/zinc/00/73/97/383007397.db2.gz SVQCOOIVQISWQH-OCCSQVGLSA-N 2 0 282.815 2.697 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423004359 383007516 /nfs/dbraw/zinc/00/75/16/383007516.db2.gz OTINRNMULDHQQP-DZGCQCFKSA-N 2 0 282.815 2.574 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)C1CCCC1 ZINC000423006761 383008962 /nfs/dbraw/zinc/00/89/62/383008962.db2.gz WGTLQSYNZAZCIZ-AWEZNQCLSA-N 2 0 256.434 2.546 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423012238 383010221 /nfs/dbraw/zinc/01/02/21/383010221.db2.gz CNUIPDPJZLYSJQ-DRRXZNNHSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423008331 383010410 /nfs/dbraw/zinc/01/04/10/383010410.db2.gz ZXVZZCSRULREMD-JKQORVJESA-N 2 0 276.424 2.870 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423013453 383011554 /nfs/dbraw/zinc/01/15/54/383011554.db2.gz MUPOIOXFFWIFNW-QILLFSRXSA-N 2 0 290.451 2.981 20 0 CFADRP CCC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCCO1 ZINC000245588895 383012369 /nfs/dbraw/zinc/01/23/69/383012369.db2.gz FODALMHOWFSJAX-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423014891 383012530 /nfs/dbraw/zinc/01/25/30/383012530.db2.gz QBICEPVILQJCMV-DOTOQJQBSA-N 2 0 275.440 2.833 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423016759 383012774 /nfs/dbraw/zinc/01/27/74/383012774.db2.gz UNABQGBSHKUMBG-KBPBESRZSA-N 2 0 258.475 2.873 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000423017671 383013766 /nfs/dbraw/zinc/01/37/66/383013766.db2.gz PGLUYQGJFFGZLZ-YOEHRIQHSA-N 2 0 272.436 2.769 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423023073 383016147 /nfs/dbraw/zinc/01/61/47/383016147.db2.gz GSAZUUOEIJEBGG-GDBMZVCRSA-N 2 0 261.413 2.596 20 0 CFADRP Cc1oc2ccccc2c1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423046918 383028440 /nfs/dbraw/zinc/02/84/40/383028440.db2.gz GHKXWZHWOHRHFZ-GJZGRUSLSA-N 2 0 258.365 2.753 20 0 CFADRP COc1ccccc1[C@H](C[NH2+][C@@H](C)CCC[NH3+])OC(C)C ZINC000423047003 383028531 /nfs/dbraw/zinc/02/85/31/383028531.db2.gz FPJLMDKUYGFHGA-YOEHRIQHSA-N 2 0 294.439 2.878 20 0 CFADRP COc1ccccc1[C@@H](C[NH2+][C@@H](C)CCC[NH3+])OC(C)C ZINC000423047001 383028825 /nfs/dbraw/zinc/02/88/25/383028825.db2.gz FPJLMDKUYGFHGA-WMLDXEAASA-N 2 0 294.439 2.878 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)C1=CCCCC1 ZINC000423047574 383030265 /nfs/dbraw/zinc/03/02/65/383030265.db2.gz GRVBTPSPTJAJHD-OAHLLOKOSA-N 2 0 268.445 2.857 20 0 CFADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000550818320 383030416 /nfs/dbraw/zinc/03/04/16/383030416.db2.gz KPXRLVHCVFXHAK-BZSNNMDCSA-N 2 0 290.451 2.676 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000423050071 383031680 /nfs/dbraw/zinc/03/16/80/383031680.db2.gz LFHJHXKKEOZOQG-VYDXJSESSA-N 2 0 277.456 2.785 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423053525 383032440 /nfs/dbraw/zinc/03/24/40/383032440.db2.gz AMJUXHHCMPQEHV-KURKYZTESA-N 2 0 290.451 2.741 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000245754565 383032724 /nfs/dbraw/zinc/03/27/24/383032724.db2.gz UPMPZKGYYLQYJB-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423058322 383034079 /nfs/dbraw/zinc/03/40/79/383034079.db2.gz JIOXFFYWNBLOJB-MBYGNEARSA-N 2 0 264.335 2.836 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058877 383035113 /nfs/dbraw/zinc/03/51/13/383035113.db2.gz KMVJAMDYHLZATG-IDCNUPLLSA-N 2 0 289.467 2.716 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058876 383035712 /nfs/dbraw/zinc/03/57/12/383035712.db2.gz KMVJAMDYHLZATG-FZCLSBEQSA-N 2 0 289.467 2.716 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058880 383035923 /nfs/dbraw/zinc/03/59/23/383035923.db2.gz KMVJAMDYHLZATG-MVJTYMMSSA-N 2 0 289.467 2.716 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423058848 383035977 /nfs/dbraw/zinc/03/59/77/383035977.db2.gz KJOSMXLAHBXACQ-QWRGUYRKSA-N 2 0 285.229 2.973 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCCCO)CC1 ZINC000448022074 383039162 /nfs/dbraw/zinc/03/91/62/383039162.db2.gz MILCTSLKZFWHLK-WBVHZDCISA-N 2 0 282.472 2.782 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423069357 383039594 /nfs/dbraw/zinc/03/95/94/383039594.db2.gz AUVOWWMCQMKIAI-HOCLYGCPSA-N 2 0 261.413 2.726 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423388245 383078604 /nfs/dbraw/zinc/07/86/04/383078604.db2.gz NJCFYQVQMWCWSN-CYBMUJFWSA-N 2 0 267.376 2.844 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423128022 383043376 /nfs/dbraw/zinc/04/33/76/383043376.db2.gz UQTYNZUZQIWLPG-JQFCIGGWSA-N 2 0 275.440 2.841 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423128740 383043666 /nfs/dbraw/zinc/04/36/66/383043666.db2.gz DHMLGUIYXWHTIA-ORQFMDKSSA-N 2 0 258.409 2.768 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423118038 383044223 /nfs/dbraw/zinc/04/42/23/383044223.db2.gz YOCHIBYTRBSYLW-VGWMRTNUSA-N 2 0 268.445 2.844 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCCCC1 ZINC000423142292 383044990 /nfs/dbraw/zinc/04/49/90/383044990.db2.gz UYSWXXRMWHOZLF-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCCC1 ZINC000423169170 383046670 /nfs/dbraw/zinc/04/66/70/383046670.db2.gz VOTKCLHDMLADSB-JKSUJKDBSA-N 2 0 274.408 2.928 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC1(C)C ZINC000423164132 383046971 /nfs/dbraw/zinc/04/69/71/383046971.db2.gz OBCPCXOMZVWZLT-CVEARBPZSA-N 2 0 281.488 2.761 20 0 CFADRP CC1(C)[C@@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000423172754 383047631 /nfs/dbraw/zinc/04/76/31/383047631.db2.gz VAVOOXIPTLPOOT-VGWMRTNUSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423172457 383047638 /nfs/dbraw/zinc/04/76/38/383047638.db2.gz SZIVKAYUJQRONV-BRWVUGGUSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000423172460 383047799 /nfs/dbraw/zinc/04/77/99/383047799.db2.gz SZIVKAYUJQRONV-ZACQAIPSSA-N 3 0 281.488 2.619 20 0 CFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[NH3+])CCS2 ZINC000423180030 383047900 /nfs/dbraw/zinc/04/79/00/383047900.db2.gz DUBGWHYYDVMWMD-CYBMUJFWSA-N 2 0 250.411 2.779 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000338779129 383048544 /nfs/dbraw/zinc/04/85/44/383048544.db2.gz SUAIFEXAAMTNNP-PHPOFCCKSA-N 2 0 282.472 2.898 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000423211721 383049939 /nfs/dbraw/zinc/04/99/39/383049939.db2.gz LGZJOXAGTPAZFS-UONOGXRCSA-N 2 0 262.397 2.654 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000338784243 383051039 /nfs/dbraw/zinc/05/10/39/383051039.db2.gz HMYGGDLTELTWOE-QGZVFWFLSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423227118 383051796 /nfs/dbraw/zinc/05/17/96/383051796.db2.gz UNMJWODDIUWANH-QWHCGFSZSA-N 2 0 292.427 2.604 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256119 383052773 /nfs/dbraw/zinc/05/27/73/383052773.db2.gz DNYOBLNQSHGRKS-ZBFHGGJFSA-N 2 0 274.408 2.880 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000338792540 383052946 /nfs/dbraw/zinc/05/29/46/383052946.db2.gz SLCGUUCXYVFFMB-KSWRQPAISA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CC1 ZINC000338791759 383053042 /nfs/dbraw/zinc/05/30/42/383053042.db2.gz RNFWAYRIZWLKAF-SFHVURJKSA-N 2 0 295.515 2.818 20 0 CFADRP C(C[C@H]1CCC[NH2+]C1)[NH2+]C(C1CCC1)C1CCC1 ZINC000423279991 383055795 /nfs/dbraw/zinc/05/57/95/383055795.db2.gz TXVGXTGTRBVVRE-CYBMUJFWSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423295806 383056538 /nfs/dbraw/zinc/05/65/38/383056538.db2.gz FTFNZKZBXAXJFD-WBMJQRKESA-N 2 0 274.408 2.573 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423312716 383056925 /nfs/dbraw/zinc/05/69/25/383056925.db2.gz VKHLUNYDDFWVTI-YGRLFVJLSA-N 2 0 252.789 2.902 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCS2 ZINC000423348590 383059490 /nfs/dbraw/zinc/05/94/90/383059490.db2.gz UIFRUCHQZOWXAG-OAHLLOKOSA-N 2 0 290.432 2.741 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC[C@H]3CCC[NH2+]3)C2)c1 ZINC000423359528 383064184 /nfs/dbraw/zinc/06/41/84/383064184.db2.gz KURYFVQQCZGFGV-DJIMGWMZSA-N 2 0 273.424 2.840 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000246180830 383065877 /nfs/dbraw/zinc/06/58/77/383065877.db2.gz CCNGIMLYISTRQS-YJBOKZPZSA-N 2 0 288.435 2.756 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)[C@@H]1OC ZINC000423365391 383066149 /nfs/dbraw/zinc/06/61/49/383066149.db2.gz BDXFDIICIUOZKF-KHMAMNHCSA-N 2 0 268.445 2.686 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000423371934 383068554 /nfs/dbraw/zinc/06/85/54/383068554.db2.gz VMSMRNJKLAWDQZ-GDBMZVCRSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000423370532 383068655 /nfs/dbraw/zinc/06/86/55/383068655.db2.gz GYCFSXNZYJPMEK-XNJGSVPQSA-N 2 0 258.409 2.966 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423371369 383069209 /nfs/dbraw/zinc/06/92/09/383069209.db2.gz VDRDFSRKXANYNR-GDBMZVCRSA-N 2 0 262.372 2.935 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423374153 383069767 /nfs/dbraw/zinc/06/97/67/383069767.db2.gz HWFXBUZTNPCMMB-BPQIPLTHSA-N 2 0 290.451 2.958 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423372493 383069987 /nfs/dbraw/zinc/06/99/87/383069987.db2.gz VTWWCUQMGKDAKZ-UONOGXRCSA-N 2 0 292.423 2.805 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000423380702 383073631 /nfs/dbraw/zinc/07/36/31/383073631.db2.gz HMKTZUZJTWKBPC-RHSMWYFYSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC000423380444 383073721 /nfs/dbraw/zinc/07/37/21/383073721.db2.gz MQYQMBYCWODZGM-YQFWSFKMSA-N 2 0 273.424 2.838 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)C(C)C ZINC000246541498 383080485 /nfs/dbraw/zinc/08/04/85/383080485.db2.gz VZDWRZBBBSKLDP-JKSUJKDBSA-N 2 0 270.461 2.615 20 0 CFADRP CC1=CC[C@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000552152975 383075158 /nfs/dbraw/zinc/07/51/58/383075158.db2.gz RDAMLPCLYJMYJC-HNNXBMFYSA-N 2 0 286.423 2.744 20 0 CFADRP C[C@@H]1C[C@H](NCc2nc(-c3ccccc3)c[nH]2)CC[N@@H+]1C ZINC000447857407 383019112 /nfs/dbraw/zinc/01/91/12/383019112.db2.gz WYBDQZYIZCBJPX-UKRRQHHQSA-N 2 0 284.407 2.649 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCNc1ccccc1F ZINC000423029542 383019469 /nfs/dbraw/zinc/01/94/69/383019469.db2.gz IHJBHJXTJVANHZ-HIFRSBDPSA-N 2 0 279.403 2.735 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423029863 383019700 /nfs/dbraw/zinc/01/97/00/383019700.db2.gz IVRHUKSPURSNSE-KSSFIOAISA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000423030711 383020041 /nfs/dbraw/zinc/02/00/41/383020041.db2.gz UFNUFGAMLZCHRD-SOUVJXGZSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000423031323 383020822 /nfs/dbraw/zinc/02/08/22/383020822.db2.gz UWUCUNSTXSYHPE-OUCADQQQSA-N 2 0 281.831 2.634 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)c2ccccc21 ZINC000423031939 383021119 /nfs/dbraw/zinc/02/11/19/383021119.db2.gz LTIKXYAZINUSNP-KFKAGJAMSA-N 2 0 296.414 2.715 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000423037034 383023066 /nfs/dbraw/zinc/02/30/66/383023066.db2.gz VHFAZECYQIRWPA-SMDDNHRTSA-N 2 0 279.453 2.785 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423040028 383025376 /nfs/dbraw/zinc/02/53/76/383025376.db2.gz SFIOAGSRGZPWBH-PQEBFOHHSA-N 2 0 292.398 2.763 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423040239 383025385 /nfs/dbraw/zinc/02/53/85/383025385.db2.gz SRRZVWIJGQUHOU-GOEBONIOSA-N 2 0 278.440 2.597 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000423042604 383026494 /nfs/dbraw/zinc/02/64/94/383026494.db2.gz ZTVFVNFLCQRHDX-WCVJEAGWSA-N 2 0 278.371 2.515 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])CCO1 ZINC000423042407 383026556 /nfs/dbraw/zinc/02/65/56/383026556.db2.gz LBPNRGVQBOZEHU-MXYBEHONSA-N 2 0 256.434 2.686 20 0 CFADRP CC1=CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000423041871 383026744 /nfs/dbraw/zinc/02/67/44/383026744.db2.gz XZGXHMGBMCXSHD-KZNAEPCWSA-N 2 0 291.483 2.539 20 0 CFADRP Cc1ccc(SC[C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423044457 383027317 /nfs/dbraw/zinc/02/73/17/383027317.db2.gz AOABMRQXJCRUBR-CHWSQXEVSA-N 2 0 264.438 2.673 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245721771 383027711 /nfs/dbraw/zinc/02/77/11/383027711.db2.gz HYTSXRATLPVRDH-WMLDXEAASA-N 2 0 276.424 2.857 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423494553 383120215 /nfs/dbraw/zinc/12/02/15/383120215.db2.gz AUYVHVCRXHNCCV-DLBZAZTESA-N 2 0 298.434 2.867 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C2CC2)c1 ZINC000423494625 383120237 /nfs/dbraw/zinc/12/02/37/383120237.db2.gz SKWVLOBDQMTPTA-HFTRVMKXSA-N 2 0 288.435 2.733 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000423492108 383120342 /nfs/dbraw/zinc/12/03/42/383120342.db2.gz LSQQXPPDONDGIP-SRVKXCTJSA-N 2 0 296.386 2.621 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423494328 383120533 /nfs/dbraw/zinc/12/05/33/383120533.db2.gz CYLUWFCRBVNDAA-GARJFASQSA-N 2 0 254.399 2.535 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000246909884 383120784 /nfs/dbraw/zinc/12/07/84/383120784.db2.gz LYSKDHYTFGONLN-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423498092 383122838 /nfs/dbraw/zinc/12/28/38/383122838.db2.gz ZXTKDUWTABJZKQ-MELADBBJSA-N 2 0 262.397 2.863 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537598 383125981 /nfs/dbraw/zinc/12/59/81/383125981.db2.gz DGFYRZWSTWSOML-OEUWWYETSA-N 2 0 286.419 2.660 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000423542239 383126679 /nfs/dbraw/zinc/12/66/79/383126679.db2.gz MFDHJWDRLRFGJZ-LBRJOISOSA-N 2 0 290.838 2.785 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423549478 383127358 /nfs/dbraw/zinc/12/73/58/383127358.db2.gz SDRGADXBXIXRRP-LCGIIJARSA-N 2 0 273.424 2.683 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246986254 383128336 /nfs/dbraw/zinc/12/83/36/383128336.db2.gz JDSUZIULDAGSSJ-XHSDSOJGSA-N 2 0 276.424 2.835 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000247003704 383130290 /nfs/dbraw/zinc/13/02/90/383130290.db2.gz LSQWLQAFZYVIKW-OWCLPIDISA-N 2 0 276.424 2.692 20 0 CFADRP CN(CC[N@H+](C)[C@@H]1C=CCCCCC1)C1CC[NH+](C)CC1 ZINC000339055088 383133399 /nfs/dbraw/zinc/13/33/99/383133399.db2.gz VGISBEUIIOXAFS-QGZVFWFLSA-N 2 0 293.499 2.833 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000247067631 383139014 /nfs/dbraw/zinc/13/90/14/383139014.db2.gz ODHITVKDUJBYPW-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2cccc(C)c2C)CC[NH2+]CC1 ZINC000423395664 383081005 /nfs/dbraw/zinc/08/10/05/383081005.db2.gz AMMNWCDBHZNJMV-MRXNPFEDSA-N 2 0 290.451 2.970 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423399014 383082142 /nfs/dbraw/zinc/08/21/42/383082142.db2.gz PHJYGQZWBBLNCQ-RRQGHBQHSA-N 2 0 258.409 2.960 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000423397847 383082477 /nfs/dbraw/zinc/08/24/77/383082477.db2.gz UZYMQVVHZXGLOI-KBRIMQKVSA-N 2 0 258.409 2.738 20 0 CFADRP CCc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000338911302 383082882 /nfs/dbraw/zinc/08/28/82/383082882.db2.gz JFALASDKJVTRCO-UHFFFAOYSA-N 2 0 287.451 2.952 20 0 CFADRP COC1(CC[NH+]2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000338913287 383083542 /nfs/dbraw/zinc/08/35/42/383083542.db2.gz PXSPMGGMFYFGOG-UHFFFAOYSA-N 2 0 266.429 2.506 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccncc1F ZINC000423405689 383085013 /nfs/dbraw/zinc/08/50/13/383085013.db2.gz YHEAPPKAZNXQHE-NSHDSACASA-N 2 0 271.339 2.675 20 0 CFADRP CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)C(C)(C)C ZINC000423405460 383085454 /nfs/dbraw/zinc/08/54/54/383085454.db2.gz JHKKLTZACUMERQ-AWEZNQCLSA-N 2 0 270.461 2.807 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2cccn2)cc1 ZINC000423406845 383085488 /nfs/dbraw/zinc/08/54/88/383085488.db2.gz ZFQPAQODWFYGEZ-NUEKZKHPSA-N 2 0 284.407 2.793 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)s1 ZINC000423405762 383085776 /nfs/dbraw/zinc/08/57/76/383085776.db2.gz ZQKHYMNBTMHWJX-CYBMUJFWSA-N 2 0 296.480 2.977 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423410054 383086485 /nfs/dbraw/zinc/08/64/85/383086485.db2.gz ZQCUQYCDAIVLPT-KQIDPQQZSA-N 2 0 288.435 2.775 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423408305 383086530 /nfs/dbraw/zinc/08/65/30/383086530.db2.gz XGFXLMFUILCRNG-JHNDHUHGSA-N 2 0 273.424 2.695 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423410057 383086680 /nfs/dbraw/zinc/08/66/80/383086680.db2.gz ZQCUQYCDAIVLPT-WIZAYZPVSA-N 2 0 288.435 2.775 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000423408388 383086688 /nfs/dbraw/zinc/08/66/88/383086688.db2.gz AGZRPLCLOQJYMM-CJNGLKHVSA-N 2 0 273.424 2.652 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000423409011 383086863 /nfs/dbraw/zinc/08/68/63/383086863.db2.gz YHUCLCUQHDQGSW-KCQAQPDRSA-N 2 0 292.423 2.661 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)[C@H]2CCCO[C@@H]21 ZINC000423407324 383087026 /nfs/dbraw/zinc/08/70/26/383087026.db2.gz ZVDGFJOPBVDZIN-ZACQAIPSSA-N 2 0 286.419 2.583 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)CCC[NH2+]1 ZINC000423411582 383087255 /nfs/dbraw/zinc/08/72/55/383087255.db2.gz GAUKXGLFCDTLFZ-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)C2CCC(F)(F)CC2)CCC[NH2+]1 ZINC000423413907 383087267 /nfs/dbraw/zinc/08/72/67/383087267.db2.gz LMGUGOYNOLVJJP-TZMCWYRMSA-N 2 0 290.398 2.559 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000423410830 383087864 /nfs/dbraw/zinc/08/78/64/383087864.db2.gz DQTOZBYJQKEIMD-UBDQQSCGSA-N 2 0 288.435 2.537 20 0 CFADRP COCC1(C[NH2+][C@H](C)CCC(C)(C)C)CC[NH2+]CC1 ZINC000423411943 383088133 /nfs/dbraw/zinc/08/81/33/383088133.db2.gz VVQXCGLTKAHVKB-CQSZACIVSA-N 2 0 270.461 2.807 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000423441520 383096775 /nfs/dbraw/zinc/09/67/75/383096775.db2.gz UNOWOFRDZAQKPC-SMDDNHRTSA-N 2 0 280.387 2.929 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](C)CCCC[NH3+] ZINC000423441517 383096993 /nfs/dbraw/zinc/09/69/93/383096993.db2.gz UNOWOFRDZAQKPC-BXUZGUMPSA-N 2 0 280.387 2.929 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000423441960 383097198 /nfs/dbraw/zinc/09/71/98/383097198.db2.gz BLOSMNAQLBJMLU-HZPDHXFCSA-N 2 0 264.413 2.555 20 0 CFADRP c1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423441123 383097450 /nfs/dbraw/zinc/09/74/50/383097450.db2.gz UHNMPTZMJGGYSQ-TWMKSMIVSA-N 2 0 256.393 2.725 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000423442118 383097523 /nfs/dbraw/zinc/09/75/23/383097523.db2.gz UXGXOSRFGJGSQR-HIFRSBDPSA-N 2 0 272.396 2.606 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423444001 383098012 /nfs/dbraw/zinc/09/80/12/383098012.db2.gz WCWBSAHHQQRLPW-QWRGUYRKSA-N 2 0 255.793 2.903 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423442379 383098303 /nfs/dbraw/zinc/09/83/03/383098303.db2.gz PUSJDHNNVASLPW-YESZJQIVSA-N 2 0 286.419 2.878 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000584398313 383100009 /nfs/dbraw/zinc/10/00/09/383100009.db2.gz ZKNFQCZQAJRKTC-ZDUSSCGKSA-N 2 0 287.407 2.851 20 0 CFADRP COC[C@H]([NH2+][C@H](C)CCC[NH3+])c1cccc(Cl)c1F ZINC000423452006 383100702 /nfs/dbraw/zinc/10/07/02/383100702.db2.gz JGVCUIGWLIXLTI-MFKMUULPSA-N 2 0 288.794 2.884 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423450468 383101123 /nfs/dbraw/zinc/10/11/23/383101123.db2.gz TTXRGHKZEZMEFR-HOTGVXAUSA-N 2 0 273.424 2.652 20 0 CFADRP C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423453753 383101582 /nfs/dbraw/zinc/10/15/82/383101582.db2.gz YAPZCXHTYXLPFD-XWJBARJFSA-N 2 0 287.451 2.507 20 0 CFADRP COc1cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC(C)C ZINC000584418397 383101655 /nfs/dbraw/zinc/10/16/55/383101655.db2.gz ZXKVTAABUQGAAR-DZGCQCFKSA-N 2 0 292.423 2.794 20 0 CFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000584421548 383102135 /nfs/dbraw/zinc/10/21/35/383102135.db2.gz USDOOWQJUYDRDW-QLFBSQMISA-N 2 0 292.423 2.570 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423458350 383102883 /nfs/dbraw/zinc/10/28/83/383102883.db2.gz JQJBTNABBRDKCY-KCQAQPDRSA-N 2 0 262.397 2.863 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423458626 383103001 /nfs/dbraw/zinc/10/30/01/383103001.db2.gz QHVPHQWIHKYEQC-RDJZCZTQSA-N 2 0 278.440 2.945 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423458195 383103290 /nfs/dbraw/zinc/10/32/90/383103290.db2.gz GPWVKAUVQXOCFW-GVAFMPQTSA-N 2 0 296.842 2.755 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccccc3)CC[C@H]21 ZINC000246790286 383103997 /nfs/dbraw/zinc/10/39/97/383103997.db2.gz ITBITZPNRHVAFO-DLBZAZTESA-N 2 0 258.409 2.645 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423461557 383104371 /nfs/dbraw/zinc/10/43/71/383104371.db2.gz JUJUTWGCUMZVRN-JYJNAYRXSA-N 2 0 276.424 2.697 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(F)F)C1 ZINC000423460947 383104413 /nfs/dbraw/zinc/10/44/13/383104413.db2.gz BVQGZQBIJBZKPZ-KFWWJZLASA-N 2 0 282.378 2.970 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)C ZINC000423463916 383104995 /nfs/dbraw/zinc/10/49/95/383104995.db2.gz GAZNAJUBSZAIAS-AEGPPILISA-N 2 0 278.444 2.941 20 0 CFADRP C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423464616 383105121 /nfs/dbraw/zinc/10/51/21/383105121.db2.gz MHLXQSPVLKLAPO-HJZMNPPUSA-N 2 0 254.418 2.582 20 0 CFADRP CC(C)OCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246806592 383105823 /nfs/dbraw/zinc/10/58/23/383105823.db2.gz NCTIWMQISCTKFJ-RDJZCZTQSA-N 2 0 280.456 2.750 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423466054 383105933 /nfs/dbraw/zinc/10/59/33/383105933.db2.gz SHIQDPGQCRMAJO-BCZNOBAESA-N 2 0 292.467 2.687 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])c(F)c1 ZINC000423464987 383106287 /nfs/dbraw/zinc/10/62/87/383106287.db2.gz WHOVUOCZIMKJQQ-MNOVXSKESA-N 2 0 254.349 2.612 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000423467793 383106986 /nfs/dbraw/zinc/10/69/86/383106986.db2.gz UMCXKBVPVMIXBH-PEYYIBSZSA-N 2 0 262.372 2.920 20 0 CFADRP CC[C@@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423470245 383107802 /nfs/dbraw/zinc/10/78/02/383107802.db2.gz PBTYKVMAGQTDOR-TVFCKZIOSA-N 2 0 287.451 2.509 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000246827187 383108571 /nfs/dbraw/zinc/10/85/71/383108571.db2.gz BLEGJRGXDLMVFL-KGLIPLIRSA-N 2 0 293.430 2.884 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423480394 383112472 /nfs/dbraw/zinc/11/24/72/383112472.db2.gz WAERJCVDOYKGEX-QJPTWQEYSA-N 2 0 268.426 2.925 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423480397 383113010 /nfs/dbraw/zinc/11/30/10/383113010.db2.gz WAERJCVDOYKGEX-TUAOUCFPSA-N 2 0 268.426 2.925 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@H]1OC ZINC000423483998 383114902 /nfs/dbraw/zinc/11/49/02/383114902.db2.gz QPCIULIBZZUKAG-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423483989 383115672 /nfs/dbraw/zinc/11/56/72/383115672.db2.gz QOMDMAUPTBLHMZ-UONOGXRCSA-N 2 0 265.376 2.794 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423483527 383115994 /nfs/dbraw/zinc/11/59/94/383115994.db2.gz QDOBVTXJNNKGSJ-UONOGXRCSA-N 2 0 262.397 2.878 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486422 383116655 /nfs/dbraw/zinc/11/66/55/383116655.db2.gz SQYIWQMQJCXXIO-OAGGEKHMSA-N 2 0 290.455 2.568 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000423488508 383117677 /nfs/dbraw/zinc/11/76/77/383117677.db2.gz DSKWDQLJLWFTCT-VNHYZAJKSA-N 2 0 260.381 2.617 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423489675 383118032 /nfs/dbraw/zinc/11/80/32/383118032.db2.gz WTJRAOFGQOFKSG-DZGCQCFKSA-N 2 0 261.413 2.827 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000449094227 383172496 /nfs/dbraw/zinc/17/24/96/383172496.db2.gz RDEIEADCPHTKJS-IKGGRYGDSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC000449124665 383179797 /nfs/dbraw/zinc/17/97/97/383179797.db2.gz QLRMOHHKSZQKLI-SJORKVTESA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCC1 ZINC000449147634 383181283 /nfs/dbraw/zinc/18/12/83/383181283.db2.gz HMTZFIRYXOJUPX-SJORKVTESA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCC1 ZINC000449191092 383182557 /nfs/dbraw/zinc/18/25/57/383182557.db2.gz OYDNKKWFFWWSQY-RCCFBDPRSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(C)o1 ZINC000519381380 383213087 /nfs/dbraw/zinc/21/30/87/383213087.db2.gz CGCPDUZIGPWOBW-HYVNUMGLSA-N 2 0 291.439 2.734 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCC12CCC2 ZINC000449238473 383185986 /nfs/dbraw/zinc/18/59/86/383185986.db2.gz RIZGHQGCULIEBG-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[N@H+](CCCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000339411670 383195348 /nfs/dbraw/zinc/19/53/48/383195348.db2.gz ISNPUVHVNBPBGL-INIZCTEOSA-N 2 0 276.424 2.920 20 0 CFADRP COC(=O)CC1CC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000424260350 383202543 /nfs/dbraw/zinc/20/25/43/383202543.db2.gz DHSDKQNUMBNIBM-QQFBHYJXSA-N 2 0 296.455 2.572 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@@H](C)C1 ZINC000247966982 383203007 /nfs/dbraw/zinc/20/30/07/383203007.db2.gz IDMXFCYFBXAIFZ-DOTOQJQBSA-N 2 0 276.424 2.694 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)[C@@H](C)C1 ZINC000247968205 383203437 /nfs/dbraw/zinc/20/34/37/383203437.db2.gz IOXCINKYWOWUBG-XJKSGUPXSA-N 2 0 264.388 2.688 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424381680 383204730 /nfs/dbraw/zinc/20/47/30/383204730.db2.gz ZJFHRSSIDWSKRS-DTZQCDIJSA-N 2 0 262.397 2.622 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000566725779 383205353 /nfs/dbraw/zinc/20/53/53/383205353.db2.gz CHBIBKTVGZMDSD-IUODEOHRSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000248009911 383206250 /nfs/dbraw/zinc/20/62/50/383206250.db2.gz LDQRCWZABSOUOI-JOCBIADPSA-N 2 0 290.451 2.819 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000248030167 383208062 /nfs/dbraw/zinc/20/80/62/383208062.db2.gz QDMPGUXENRDRIK-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000247205287 383153293 /nfs/dbraw/zinc/15/32/93/383153293.db2.gz WPSDFMQEIXNXRC-LRDDRELGSA-N 2 0 262.372 2.744 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449057000 383154699 /nfs/dbraw/zinc/15/46/99/383154699.db2.gz AAWCVYHFJIMUKP-QLFBSQMISA-N 2 0 256.434 2.654 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449057003 383154845 /nfs/dbraw/zinc/15/48/45/383154845.db2.gz AAWCVYHFJIMUKP-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000566791118 383211132 /nfs/dbraw/zinc/21/11/32/383211132.db2.gz RPGJXBWHPUIXLB-ZWKOTPCHSA-N 2 0 298.434 2.681 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000449071127 383160528 /nfs/dbraw/zinc/16/05/28/383160528.db2.gz AFTVCGXUOYNTQT-MRXNPFEDSA-N 2 0 258.409 2.611 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)O1 ZINC000449083185 383167634 /nfs/dbraw/zinc/16/76/34/383167634.db2.gz SFHUUSHYVGSLTD-LVQVYYBASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083909 383168246 /nfs/dbraw/zinc/16/82/46/383168246.db2.gz VXTJOVCFLSJFFE-BARDWOONSA-N 2 0 270.486 2.696 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)Cc1ccoc1)C[NH+]1CCCC1 ZINC000449087594 383169341 /nfs/dbraw/zinc/16/93/41/383169341.db2.gz GMDONZUNLNOKJL-KBPBESRZSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@H](C[NH2+][C@H](C)Cc1ccoc1)C[NH+]1CCCCC1 ZINC000449088914 383170376 /nfs/dbraw/zinc/17/03/76/383170376.db2.gz JCIIXWFWDJAILB-HUUCEWRRSA-N 2 0 264.413 2.922 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1(C)CC1 ZINC000248460632 383247886 /nfs/dbraw/zinc/24/78/86/383247886.db2.gz WPNLIKMFFNHMDZ-WMLDXEAASA-N 2 0 288.435 2.531 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449383567 383252364 /nfs/dbraw/zinc/25/23/64/383252364.db2.gz IIUSMTNYJIBZRU-FGTMMUONSA-N 2 0 293.499 2.713 20 0 CFADRP CC[NH+]1CCC(N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449386313 383255533 /nfs/dbraw/zinc/25/55/33/383255533.db2.gz SYKFNNRDFZRMRB-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)OC ZINC000449401195 383265946 /nfs/dbraw/zinc/26/59/46/383265946.db2.gz FUSKUVROHJWHMF-DZGCQCFKSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)Cc1ccc([C@H](C[NH2+][C@H](C)[C@H](C)O)N(C)C)cc1 ZINC000567378669 383269250 /nfs/dbraw/zinc/26/92/50/383269250.db2.gz MDDPVSKKEHUITD-VKJFTORMSA-N 2 0 292.467 2.847 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000567373291 383269409 /nfs/dbraw/zinc/26/94/09/383269409.db2.gz FKDQSDSTOQHEFC-ROUUACIJSA-N 2 0 291.483 2.587 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342098514 296344502 /nfs/dbraw/zinc/34/45/02/296344502.db2.gz IJMRQGMGZANINO-JJTUDDRGSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@H](CCCO)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449407725 383272223 /nfs/dbraw/zinc/27/22/23/383272223.db2.gz IUBXGKDTDROLPS-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248172178 383218051 /nfs/dbraw/zinc/21/80/51/383218051.db2.gz UZNXAVIXJWYFHN-DOTOQJQBSA-N 2 0 274.408 2.611 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1nccc2ccccc21 ZINC000566908886 383223127 /nfs/dbraw/zinc/22/31/27/383223127.db2.gz CNYNGNOINYMRKX-CYBMUJFWSA-N 2 0 269.392 2.885 20 0 CFADRP CSC1(C[NH2+]CCc2cccc(C)c2)CC[NH+](C)CC1 ZINC000449335834 383225456 /nfs/dbraw/zinc/22/54/56/383225456.db2.gz MBSIGGXEBLTNOB-UHFFFAOYSA-N 2 0 292.492 2.955 20 0 CFADRP CCN1C[C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@@H](C)C1 ZINC000449360253 383237661 /nfs/dbraw/zinc/23/76/61/383237661.db2.gz HUSOFRKONYNGET-GUTXKFCHSA-N 2 0 276.449 2.806 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@H]21 ZINC000248444312 383243386 /nfs/dbraw/zinc/24/33/86/383243386.db2.gz WBXCFUINYKTEKT-FXUDXRNXSA-N 2 0 250.430 2.981 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000519865112 383243981 /nfs/dbraw/zinc/24/39/81/383243981.db2.gz CVDWXQGCYRHMGG-WBVHZDCISA-N 2 0 275.440 2.724 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000339818535 383329127 /nfs/dbraw/zinc/32/91/27/383329127.db2.gz CTVSIEKMBLLWBT-HOTGVXAUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249142215 383330247 /nfs/dbraw/zinc/33/02/47/383330247.db2.gz WIBZUYSRRAYHRK-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)(C)n1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000634733156 383335001 /nfs/dbraw/zinc/33/50/01/383335001.db2.gz YJXWXSXYUYCSCT-AWEZNQCLSA-N 2 0 278.444 2.506 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1C ZINC000634734186 383336261 /nfs/dbraw/zinc/33/62/61/383336261.db2.gz ZAPQBKGMTXCWMC-HNNXBMFYSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)N1CC[NH+](C)CC1 ZINC000521088852 383285103 /nfs/dbraw/zinc/28/51/03/383285103.db2.gz IZOLBPIOFHOCGN-ULQDDVLXSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[C@]1(CO)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000339709597 383293978 /nfs/dbraw/zinc/29/39/78/383293978.db2.gz DWESPLSARVLIPZ-QGZVFWFLSA-N 2 0 282.472 2.593 20 0 CFADRP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000521372098 383294264 /nfs/dbraw/zinc/29/42/64/383294264.db2.gz XKVPEZWEPFQMCB-GOSISDBHSA-N 2 0 285.435 2.720 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000459733118 383296086 /nfs/dbraw/zinc/29/60/86/383296086.db2.gz GJFHFTKUVIVGGQ-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000459775661 383297216 /nfs/dbraw/zinc/29/72/16/383297216.db2.gz JOSKDNRUYMJCTD-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+]C[C@H](N[C@H]1CCCc2nn(-c3ccccc3)cc21)C1CC1 ZINC000567638486 383297261 /nfs/dbraw/zinc/29/72/61/383297261.db2.gz GAYWKAQQUHPXTQ-WMZOPIPTSA-N 2 0 296.418 2.577 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000521464490 383297554 /nfs/dbraw/zinc/29/75/54/383297554.db2.gz ZBMWWTZXVSNVGR-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP COC1(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000459796068 383297929 /nfs/dbraw/zinc/29/79/29/383297929.db2.gz WBDRAOPWXSCMKP-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000567681515 383301993 /nfs/dbraw/zinc/30/19/93/383301993.db2.gz ULJIQFRHUMWYQJ-IAGOWNOFSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634678163 383307531 /nfs/dbraw/zinc/30/75/31/383307531.db2.gz KVQHXGBYEMYPCI-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000634680224 383309823 /nfs/dbraw/zinc/30/98/23/383309823.db2.gz OIVUQLPQYRMZQF-KBPBESRZSA-N 2 0 270.461 2.900 20 0 CFADRP c1cnc2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2c1 ZINC000634688110 383320298 /nfs/dbraw/zinc/32/02/98/383320298.db2.gz IJQDZNFISJUQTM-UHFFFAOYSA-N 2 0 267.376 2.563 20 0 CFADRP [NH3+]C[C@H]1CCN(CCCC2CC[NH2+]CC2)c2ccccc21 ZINC000634690298 383321451 /nfs/dbraw/zinc/32/14/51/383321451.db2.gz IGPVMWNJBTVKMV-MRXNPFEDSA-N 2 0 287.451 2.719 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CC1CCCC1 ZINC000249046610 383321718 /nfs/dbraw/zinc/32/17/18/383321718.db2.gz HLSSOHMXDQSHCL-IRXDYDNUSA-N 2 0 282.472 2.734 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000567870758 383324699 /nfs/dbraw/zinc/32/46/99/383324699.db2.gz LNXLYOJRHHOHSS-HYVNUMGLSA-N 2 0 258.409 2.722 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000251559963 383389936 /nfs/dbraw/zinc/38/99/36/383389936.db2.gz SCAKWQKTLAFHQT-HEHGZKQESA-N 2 0 292.423 2.872 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000340249995 383391289 /nfs/dbraw/zinc/39/12/89/383391289.db2.gz KMSIVIABVNRXAQ-AWEZNQCLSA-N 2 0 288.435 2.671 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1n[nH]c2ccccc21)C[NH+](C)C ZINC000425944688 383392780 /nfs/dbraw/zinc/39/27/80/383392780.db2.gz NYTUBQWZVUNDQG-ZIAGYGMSSA-N 2 0 288.439 2.671 20 0 CFADRP C[C@H](C[NH2+]C1CCC2(CCOCC2)CC1)C[NH+](C)C ZINC000425948637 383393382 /nfs/dbraw/zinc/39/33/82/383393382.db2.gz DCBXIVNTYRSUMN-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H](C)[C@H]1OC ZINC000425953252 383393421 /nfs/dbraw/zinc/39/34/21/383393421.db2.gz RTGJSXBTZZWMML-BYNSBNAKSA-N 2 0 270.461 2.613 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000340261007 383394395 /nfs/dbraw/zinc/39/43/95/383394395.db2.gz UGGCRAZYQWGBCW-ZDUSSCGKSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000478917431 383398038 /nfs/dbraw/zinc/39/80/38/383398038.db2.gz LICFRFRDZIEKGQ-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000340276250 383399286 /nfs/dbraw/zinc/39/92/86/383399286.db2.gz FOIFRFOBSUKBGM-CHWSQXEVSA-N 2 0 260.372 2.695 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)s1 ZINC000568511829 383410290 /nfs/dbraw/zinc/41/02/90/383410290.db2.gz XJVFBXQJGBHGCN-HNNXBMFYSA-N 2 0 264.438 2.940 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3Cc4ccccc4C3)CC[C@@H]21 ZINC000568149035 383361723 /nfs/dbraw/zinc/36/17/23/383361723.db2.gz XNCVGNILSQJQIO-MOPGFXCFSA-N 2 0 284.447 2.818 20 0 CFADRP Cc1occc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000340174978 383368153 /nfs/dbraw/zinc/36/81/53/383368153.db2.gz VIWOGWHPQSOSTL-UHFFFAOYSA-N 2 0 258.365 2.939 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000249986018 383368364 /nfs/dbraw/zinc/36/83/64/383368364.db2.gz MLSCTHZMTWHBFD-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250075094 383370377 /nfs/dbraw/zinc/37/03/77/383370377.db2.gz DGDMECIZIRIWRG-MGPQQGTHSA-N 2 0 250.411 2.758 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000425338817 383375004 /nfs/dbraw/zinc/37/50/04/383375004.db2.gz QIKJKPNNWSIYDW-STQMWFEESA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000250370478 383375286 /nfs/dbraw/zinc/37/52/86/383375286.db2.gz VMOUNHDBNYHNOK-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000425363363 383376096 /nfs/dbraw/zinc/37/60/96/383376096.db2.gz XBNQEAVCLFDXDA-CABCVRRESA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000425357014 383376423 /nfs/dbraw/zinc/37/64/23/383376423.db2.gz PUJZNJYZLKTQRZ-MELADBBJSA-N 2 0 256.459 2.735 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000425362685 383376591 /nfs/dbraw/zinc/37/65/91/383376591.db2.gz VNNIMHWVOSFCOA-MELADBBJSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)(C)c1cnc(CNCCC[NH+]2CCC2)s1 ZINC000568236711 383379386 /nfs/dbraw/zinc/37/93/86/383379386.db2.gz SHWRNXCRGKPUHN-UHFFFAOYSA-N 2 0 267.442 2.626 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000250852388 383381574 /nfs/dbraw/zinc/38/15/74/383381574.db2.gz MTYYTFMNHRCMRJ-YUTCNCBUSA-N 2 0 262.422 2.941 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000250874351 383382343 /nfs/dbraw/zinc/38/23/43/383382343.db2.gz HFJAXRFJWVSJLC-DZGCQCFKSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250991360 383383718 /nfs/dbraw/zinc/38/37/18/383383718.db2.gz MFGMHMJFQAGGHL-UAGQMJEPSA-N 2 0 288.435 2.843 20 0 CFADRP Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250964407 383383839 /nfs/dbraw/zinc/38/38/39/383383839.db2.gz VZALLHFSFUBBLM-MGPQQGTHSA-N 2 0 279.453 2.852 20 0 CFADRP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340236778 383388261 /nfs/dbraw/zinc/38/82/61/383388261.db2.gz LQLFCJXCIGZORU-IRXDYDNUSA-N 2 0 294.483 2.782 20 0 CFADRP CSc1ccc(OCC[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000430602220 532987753 /nfs/dbraw/zinc/98/77/53/532987753.db2.gz VVCZPXKGSIGFNX-HNNXBMFYSA-N 2 0 280.437 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CC(F)(F)C2)C[C@@H]1C ZINC000450471135 383425137 /nfs/dbraw/zinc/42/51/37/383425137.db2.gz VMMVQNUGOPCGKW-AAEUAGOBSA-N 2 0 260.372 2.836 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn[nH]c1 ZINC000340470309 383431830 /nfs/dbraw/zinc/43/18/30/383431830.db2.gz OCSSRGSUVGGWEE-QLFBSQMISA-N 2 0 278.444 2.818 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473012 383432144 /nfs/dbraw/zinc/43/21/44/383432144.db2.gz JUSDGZBRNUDEDL-KGLIPLIRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252769786 383433601 /nfs/dbraw/zinc/43/36/01/383433601.db2.gz KRGWQLJMIASWIT-ZFWWWQNUSA-N 2 0 262.397 2.643 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252776913 383433734 /nfs/dbraw/zinc/43/37/34/383433734.db2.gz OMWUUWFOPSPADP-DZGCQCFKSA-N 2 0 262.397 2.643 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634974615 383434415 /nfs/dbraw/zinc/43/44/15/383434415.db2.gz GWNJNXXEOMSPOB-UHFFFAOYSA-N 2 0 291.370 2.788 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000568845299 383440945 /nfs/dbraw/zinc/44/09/45/383440945.db2.gz UAUKAFQZQIGYSY-BYCMXARLSA-N 2 0 264.438 2.657 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000450504198 383441845 /nfs/dbraw/zinc/44/18/45/383441845.db2.gz UDWWFMCNYUUTEP-BFHYXJOUSA-N 2 0 272.383 2.838 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634983860 383442652 /nfs/dbraw/zinc/44/26/52/383442652.db2.gz AJTKEEHTJIFDHU-UHFFFAOYSA-N 2 0 291.370 2.929 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC000483302556 383445907 /nfs/dbraw/zinc/44/59/07/383445907.db2.gz BCOSVEFJQTWENZ-KRWDZBQOSA-N 2 0 295.515 2.820 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000253176957 383447160 /nfs/dbraw/zinc/44/71/60/383447160.db2.gz APFFWDBXTLVGAJ-BRWVUGGUSA-N 2 0 273.424 2.790 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C[C@H]1C[NH3+] ZINC000253197345 383447680 /nfs/dbraw/zinc/44/76/80/383447680.db2.gz UUEVPRIFFQASDL-TZMCWYRMSA-N 2 0 287.382 2.791 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634996689 383451967 /nfs/dbraw/zinc/45/19/67/383451967.db2.gz QQOXFOINEVJXPQ-QGZVFWFLSA-N 2 0 298.434 2.794 20 0 CFADRP C[C@H](CC[NH2+][C@H](C)[C@@]1(C)CCCO1)[NH+]1CCCCC1 ZINC000340518729 383453559 /nfs/dbraw/zinc/45/35/59/383453559.db2.gz UZABCHHMQJSNOL-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998259 383453836 /nfs/dbraw/zinc/45/38/36/383453836.db2.gz CQDRXPCHCPUHNG-WCQYABFASA-N 2 0 252.789 2.675 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)ccc2n1 ZINC000634999072 383455672 /nfs/dbraw/zinc/45/56/72/383455672.db2.gz PQAZIMRLKYRUFE-MLGOLLRUSA-N 2 0 269.392 2.570 20 0 CFADRP CCCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634999970 383457815 /nfs/dbraw/zinc/45/78/15/383457815.db2.gz DJIHGMKPAVORPC-GOEBONIOSA-N 2 0 276.424 2.892 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000634999578 383457846 /nfs/dbraw/zinc/45/78/46/383457846.db2.gz WQKQVXKWJIEAEE-INIZCTEOSA-N 2 0 281.488 2.700 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000635003440 383459248 /nfs/dbraw/zinc/45/92/48/383459248.db2.gz DCWIXSAZWGSNLS-DDBAPUKQSA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635005651 383461666 /nfs/dbraw/zinc/46/16/66/383461666.db2.gz JLJZAWMWPNUJFM-SQWLQELKSA-N 2 0 273.424 2.693 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CC(F)(F)C2)[C@H](C)C1 ZINC000450562873 383462175 /nfs/dbraw/zinc/46/21/75/383462175.db2.gz IJIZNUHKSPLELZ-DGCLKSJQSA-N 2 0 260.372 2.694 20 0 CFADRP c1ccc2c(c1)CC[C@H]2Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635006048 383462162 /nfs/dbraw/zinc/46/21/62/383462162.db2.gz AOCPTWOGPLLTAP-QGZVFWFLSA-N 2 0 294.402 2.591 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)[C@@H]1CC1(C)C ZINC000635006313 383463026 /nfs/dbraw/zinc/46/30/26/383463026.db2.gz LMKXZAOVCCKGSC-BPUTZDHNSA-N 2 0 260.425 2.971 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000635006393 383463206 /nfs/dbraw/zinc/46/32/06/383463206.db2.gz MLGVENKORABHRB-MKBNYLNASA-N 2 0 262.372 2.920 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)cn1 ZINC000635006232 383463597 /nfs/dbraw/zinc/46/35/97/383463597.db2.gz BGASIGMINVQLQW-AWEZNQCLSA-N 2 0 298.434 2.961 20 0 CFADRP CC(C)(F)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635006290 383463619 /nfs/dbraw/zinc/46/36/19/383463619.db2.gz YCEMQGPZJCMQEB-CZUORRHYSA-N 2 0 278.371 2.580 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cc1 ZINC000635007446 383464377 /nfs/dbraw/zinc/46/43/77/383464377.db2.gz QBTPDMDMHFRODI-LALPHHSUSA-N 2 0 250.361 2.994 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000635007315 383464479 /nfs/dbraw/zinc/46/44/79/383464479.db2.gz ATVJYZGMOQXMQC-YYIAUSFCSA-N 2 0 294.483 2.950 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)on1 ZINC000450569607 383464647 /nfs/dbraw/zinc/46/46/47/383464647.db2.gz PLQVYUMBSAOKFB-PBHICJAKSA-N 2 0 293.455 2.832 20 0 CFADRP [NH3+][C@H](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000635007410 383464708 /nfs/dbraw/zinc/46/47/08/383464708.db2.gz OIRNVYQUOBDZCT-ATZDWAIDSA-N 2 0 295.430 2.681 20 0 CFADRP COc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635009278 383465259 /nfs/dbraw/zinc/46/52/59/383465259.db2.gz XMBNGCBLCDDCQI-UMVBOHGHSA-N 2 0 262.397 2.863 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000635008948 383466139 /nfs/dbraw/zinc/46/61/39/383466139.db2.gz FQGBIAHWWQUUPC-RRFJBIMHSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000635010905 383466939 /nfs/dbraw/zinc/46/69/39/383466939.db2.gz LHDGXPTWQUESQB-ZYHUDNBSSA-N 2 0 267.442 2.880 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(O)c1 ZINC000635011117 383467140 /nfs/dbraw/zinc/46/71/40/383467140.db2.gz MGXJGHMSNYERBL-TZMCWYRMSA-N 2 0 262.397 2.821 20 0 CFADRP Cc1scc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000635019504 383472257 /nfs/dbraw/zinc/47/22/57/383472257.db2.gz HPQFFTNUXBNJOM-PBWFPOADSA-N 2 0 250.411 2.738 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000635022979 383473973 /nfs/dbraw/zinc/47/39/73/383473973.db2.gz QQPKWYDBSYNMHD-HRCADAONSA-N 2 0 294.464 2.612 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000635022010 383474045 /nfs/dbraw/zinc/47/40/45/383474045.db2.gz QQPKWYDBSYNMHD-ARFHVFGLSA-N 2 0 294.464 2.612 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)C1CC[NH+](C)CC1 ZINC000635024332 383474729 /nfs/dbraw/zinc/47/47/29/383474729.db2.gz WLWUKCITQFNHNB-ZBFHGGJFSA-N 2 0 287.451 2.906 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000569212029 383477227 /nfs/dbraw/zinc/47/72/27/383477227.db2.gz LIDGKHDIUSLCED-HOCLYGCPSA-N 2 0 299.418 2.851 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000480604808 383418706 /nfs/dbraw/zinc/41/87/06/383418706.db2.gz DNVIZTMLUWAQEN-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)CCCN(C)CCOc1ccccc1 ZINC000340601647 383484096 /nfs/dbraw/zinc/48/40/96/383484096.db2.gz VLLBRYGMICJCSE-UHFFFAOYSA-N 2 0 264.413 2.729 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000569303183 383484998 /nfs/dbraw/zinc/48/49/98/383484998.db2.gz PSLIVTIPIIMVSV-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340703758 383492581 /nfs/dbraw/zinc/49/25/81/383492581.db2.gz TWKLEJBOUPDWQR-KRWDZBQOSA-N 2 0 276.424 2.525 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000428572924 383492916 /nfs/dbraw/zinc/49/29/16/383492916.db2.gz LHDAPBQZSDCXME-ZIAGYGMSSA-N 2 0 289.423 2.607 20 0 CFADRP C[C@]1(C[NH+]2CCC(N3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261729423 383550083 /nfs/dbraw/zinc/55/00/83/383550083.db2.gz HCIFUPBXXZPZQS-IBGZPJMESA-N 2 0 299.462 2.513 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1F ZINC000257722708 383497945 /nfs/dbraw/zinc/49/79/45/383497945.db2.gz VYJYQVADYSHLLI-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261542885 383508133 /nfs/dbraw/zinc/50/81/33/383508133.db2.gz RFITVFYZAKIYKD-WCQYABFASA-N 2 0 252.789 2.818 20 0 CFADRP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261549123 383510312 /nfs/dbraw/zinc/51/03/12/383510312.db2.gz HDGZGEORQZFLOY-OXGONZEZSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)s1 ZINC000261550673 383510335 /nfs/dbraw/zinc/51/03/35/383510335.db2.gz LLIVJDYNBQFUKO-AWEZNQCLSA-N 2 0 250.411 2.550 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000261547831 383510597 /nfs/dbraw/zinc/51/05/97/383510597.db2.gz IQWROSWXJHOLGB-COPLHBTASA-N 2 0 252.789 2.989 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000569623918 383520499 /nfs/dbraw/zinc/52/04/99/383520499.db2.gz SCBWWQZTMKQWLU-GJZGRUSLSA-N 2 0 288.435 2.976 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000488342980 383523523 /nfs/dbraw/zinc/52/35/23/383523523.db2.gz FCHXBFUDPJZLRA-RDJZCZTQSA-N 2 0 282.472 2.713 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]21 ZINC000261597333 383524789 /nfs/dbraw/zinc/52/47/89/383524789.db2.gz NVKYDRRGXORIBB-GVDBMIGSSA-N 2 0 281.403 2.794 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000569670084 383524974 /nfs/dbraw/zinc/52/49/74/383524974.db2.gz QITUAQPRWMHOMG-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CCC1 ZINC000429423165 383530393 /nfs/dbraw/zinc/53/03/93/383530393.db2.gz AWRRKNVUTIPYCS-CQSZACIVSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000261622590 383531251 /nfs/dbraw/zinc/53/12/51/383531251.db2.gz UYAGHQXLJBAJQJ-DOTOQJQBSA-N 2 0 258.409 2.653 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488430575 383536421 /nfs/dbraw/zinc/53/64/21/383536421.db2.gz NFSKPNDNKUZBHJ-HOCLYGCPSA-N 2 0 252.446 2.990 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000261669517 383540276 /nfs/dbraw/zinc/54/02/76/383540276.db2.gz GGFFJNLQRMRUIW-KRWDZBQOSA-N 2 0 274.408 2.646 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000488442879 383540356 /nfs/dbraw/zinc/54/03/56/383540356.db2.gz UTGKKEZPHSIGKG-NXHRZFHOSA-N 2 0 272.436 2.797 20 0 CFADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000261671245 383540783 /nfs/dbraw/zinc/54/07/83/383540783.db2.gz BKGIFJGASNPBMA-UHFFFAOYSA-N 2 0 286.379 2.780 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H](NC/C=C(/C)Cl)[C@@H](C)C1 ZINC000528460199 383543165 /nfs/dbraw/zinc/54/31/65/383543165.db2.gz WOERUAMJTBYUFU-DIUIJLDWSA-N 2 0 288.863 2.856 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488450247 383543790 /nfs/dbraw/zinc/54/37/90/383543790.db2.gz RQJFOIZPNSKHNG-KBPBESRZSA-N 2 0 258.475 2.838 20 0 CFADRP CCCN(CC(C)(C)[NH3+])[C@H]1CCCc2cccnc21 ZINC000261915588 383579659 /nfs/dbraw/zinc/57/96/59/383579659.db2.gz JVKNUNCLOZCMSJ-AWEZNQCLSA-N 2 0 261.413 2.908 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261919741 383580419 /nfs/dbraw/zinc/58/04/19/383580419.db2.gz KGHYTTREZYYPHT-MBNYWOFBSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@@]1(C[N@H+](CCc2cccc(F)c2)C2CC2)CC[NH2+]C1 ZINC000261926605 383581747 /nfs/dbraw/zinc/58/17/47/383581747.db2.gz CFTQBDUKDFWPKG-QGZVFWFLSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000430916717 383611593 /nfs/dbraw/zinc/61/15/93/383611593.db2.gz HURNKLPCILNJSG-SWLSCSKDSA-N 2 0 282.815 2.778 20 0 CFADRP Cc1cccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261944943 383584360 /nfs/dbraw/zinc/58/43/60/383584360.db2.gz NFXHARRBQQSWGJ-QGZVFWFLSA-N 2 0 258.409 2.784 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000261948705 383584771 /nfs/dbraw/zinc/58/47/71/383584771.db2.gz NQKRWEYWJOVLRC-MNOVXSKESA-N 2 0 267.442 2.610 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000261948702 383584898 /nfs/dbraw/zinc/58/48/98/383584898.db2.gz NQKRWEYWJOVLRC-GHMZBOCLSA-N 2 0 267.442 2.610 20 0 CFADRP C[C@]1(CN(Cc2ccccc2F)C2CC2)CC[NH2+]C1 ZINC000261952915 383585178 /nfs/dbraw/zinc/58/51/78/383585178.db2.gz GEPGOGGXZZNZMR-INIZCTEOSA-N 2 0 262.372 2.790 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261954139 383585848 /nfs/dbraw/zinc/58/58/48/383585848.db2.gz OKZLPDBLWKPFTP-VXGBXAGGSA-N 2 0 250.361 2.557 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261964665 383587437 /nfs/dbraw/zinc/58/74/37/383587437.db2.gz AWFGJCHJBKQDPK-YESZJQIVSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C[NH3+])C1CCCCC1 ZINC000570262197 383587861 /nfs/dbraw/zinc/58/78/61/383587861.db2.gz RMGDWNZYQRKVBA-HYVNUMGLSA-N 2 0 281.488 2.794 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000570289830 383590978 /nfs/dbraw/zinc/59/09/78/383590978.db2.gz SKJGRDFJIQYHLA-INIZCTEOSA-N 2 0 284.407 2.539 20 0 CFADRP COc1ccc([C@H](C)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430926072 383611987 /nfs/dbraw/zinc/61/19/87/383611987.db2.gz FOSCMGHKBSFJND-OAHLLOKOSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261999403 383592423 /nfs/dbraw/zinc/59/24/23/383592423.db2.gz LELGIFOLRHFUSJ-HYVNUMGLSA-N 2 0 258.409 2.864 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000262012519 383594885 /nfs/dbraw/zinc/59/48/85/383594885.db2.gz VGSNEEDFCWNYBP-MRXNPFEDSA-N 2 0 299.462 2.818 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2F)C1 ZINC000570343831 383595895 /nfs/dbraw/zinc/59/58/95/383595895.db2.gz NBSCMXVIDAXUOV-UONOGXRCSA-N 2 0 282.428 2.918 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000262018904 383596179 /nfs/dbraw/zinc/59/61/79/383596179.db2.gz VYOUNYWAKRHUAO-AWEZNQCLSA-N 2 0 278.465 2.979 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOc2ccc(SC)cc2)CC1 ZINC000430923549 383612269 /nfs/dbraw/zinc/61/22/69/383612269.db2.gz FWGLAMZQRRIUIS-UHFFFAOYSA-N 2 0 294.464 2.719 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCOc2ccc(F)cc2C1 ZINC000489248889 383601610 /nfs/dbraw/zinc/60/16/10/383601610.db2.gz GODCVRYKVJMWIL-MRXNPFEDSA-N 2 0 292.398 2.895 20 0 CFADRP C[C@]1(C[N@H+](CCc2ccc(F)cc2)C2CC2)CC[NH2+]C1 ZINC000262090677 383604368 /nfs/dbraw/zinc/60/43/68/383604368.db2.gz UUDJQHDYFAXHKL-KRWDZBQOSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262150143 383609978 /nfs/dbraw/zinc/60/99/78/383609978.db2.gz RCPMCJMGMCPCJP-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP COCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000261761735 383555298 /nfs/dbraw/zinc/55/52/98/383555298.db2.gz LLWFFSGEVXUWQT-RDJZCZTQSA-N 2 0 276.424 2.696 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261768419 383556478 /nfs/dbraw/zinc/55/64/78/383556478.db2.gz DMAREAVZMMIFJB-GJZGRUSLSA-N 2 0 298.434 2.565 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261770862 383557087 /nfs/dbraw/zinc/55/70/87/383557087.db2.gz MOOZYKQIJAJXJA-IRXDYDNUSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+]C1(c2noc([C@H]3CCCN3Cc3ccccc3)n2)CCC1 ZINC000261783736 383559968 /nfs/dbraw/zinc/55/99/68/383559968.db2.gz OABKNEJQOYUVHS-CQSZACIVSA-N 2 0 298.390 2.745 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@](C)(C[NH3+])C1 ZINC000261809475 383563983 /nfs/dbraw/zinc/56/39/83/383563983.db2.gz OPKRDYOJJYKXHX-XHDPSFHLSA-N 2 0 265.401 2.704 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261809474 383564953 /nfs/dbraw/zinc/56/49/53/383564953.db2.gz OPKRDYOJJYKXHX-NHYWBVRUSA-N 2 0 265.401 2.704 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000261840855 383568842 /nfs/dbraw/zinc/56/88/42/383568842.db2.gz UJNCWKZBZWNNJF-OAGGEKHMSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)Cc1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000430914745 383611035 /nfs/dbraw/zinc/61/10/35/383611035.db2.gz MWBVKNZLQZBJKG-UHFFFAOYSA-N 2 0 293.480 2.917 20 0 CFADRP FC(F)(F)c1cccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261856080 383571756 /nfs/dbraw/zinc/57/17/56/383571756.db2.gz XIFVVPKYZBTZPT-OCCSQVGLSA-N 2 0 284.325 2.889 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262238095 383613460 /nfs/dbraw/zinc/61/34/60/383613460.db2.gz VYVBAUXCCHDBBT-INIZCTEOSA-N 2 0 276.424 2.743 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000262346538 383617339 /nfs/dbraw/zinc/61/73/39/383617339.db2.gz UVDILGIVUADSKX-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000430973253 383618160 /nfs/dbraw/zinc/61/81/60/383618160.db2.gz WIBUCQLAOOALAP-UHFFFAOYSA-N 2 0 290.451 2.567 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000570673774 383624173 /nfs/dbraw/zinc/62/41/73/383624173.db2.gz VHDBMXUKXRUMPL-ZDUSSCGKSA-N 2 0 250.386 2.736 20 0 CFADRP C[N@H+](CCC[C@@H]1CCOC1)CC[C@@H]1CCCC[NH+]1C ZINC000645808464 383755744 /nfs/dbraw/zinc/75/57/44/383755744.db2.gz QCHRSVJQNADXLU-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2nccn2CC)CC1 ZINC000453109284 383769620 /nfs/dbraw/zinc/76/96/20/383769620.db2.gz PFBGCWWAHGOYBI-CQSZACIVSA-N 2 0 278.444 2.676 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000453109964 383769639 /nfs/dbraw/zinc/76/96/39/383769639.db2.gz QBVKBIZANSUSFP-CVEARBPZSA-N 2 0 283.504 2.674 20 0 CFADRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCC1 ZINC000453108939 383769782 /nfs/dbraw/zinc/76/97/82/383769782.db2.gz LRQYUCNSJSSSBZ-IRXDYDNUSA-N 2 0 282.472 2.782 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2=CCCC2)[C@H](C)C1 ZINC000645860906 383773030 /nfs/dbraw/zinc/77/30/30/383773030.db2.gz OWZOCKJCEQRMNJ-WBVHZDCISA-N 2 0 280.456 2.823 20 0 CFADRP Cc1ccncc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000280944950 195039670 /nfs/dbraw/zinc/03/96/70/195039670.db2.gz RCAPGZUYJNGOFW-UHFFFAOYSA-N 2 0 287.382 2.881 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000571109371 383666034 /nfs/dbraw/zinc/66/60/34/383666034.db2.gz AMSPTSHKKBFAEX-FPCVCCKLSA-N 2 0 286.435 2.604 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(F)c1 ZINC000571171412 383670768 /nfs/dbraw/zinc/67/07/68/383670768.db2.gz JKMJGASPQFBRLX-CYBMUJFWSA-N 2 0 289.354 2.937 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000640016264 383672920 /nfs/dbraw/zinc/67/29/20/383672920.db2.gz WOTRNPQXBQEWPJ-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP C([NH2+][C@H]1CCCOCC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436305320 383803846 /nfs/dbraw/zinc/80/38/46/383803846.db2.gz GEYUEAURQCQRNE-DOTOQJQBSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2nccn21 ZINC000453229543 383809199 /nfs/dbraw/zinc/80/91/99/383809199.db2.gz REHMIMQRSODDDF-HUUCEWRRSA-N 2 0 276.428 2.745 20 0 CFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCC1 ZINC000453234228 383810264 /nfs/dbraw/zinc/81/02/64/383810264.db2.gz ZQKWUATWOWTYBH-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000453236228 383811492 /nfs/dbraw/zinc/81/14/92/383811492.db2.gz MVYKMRZXSXTLJB-IKGGRYGDSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc([C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000572763370 383814494 /nfs/dbraw/zinc/81/44/94/383814494.db2.gz WRPNDLQQTQGFMC-QGZVFWFLSA-N 2 0 258.409 2.784 20 0 CFADRP COCCCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532037 383818288 /nfs/dbraw/zinc/81/82/88/383818288.db2.gz TZPXHOOBNLKITD-UHFFFAOYSA-N 2 0 256.434 2.611 20 0 CFADRP CCc1nocc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534727 383819646 /nfs/dbraw/zinc/81/96/46/383819646.db2.gz TYAOWEWHRZZWHI-UHFFFAOYSA-N 2 0 279.428 2.935 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000453316796 383842560 /nfs/dbraw/zinc/84/25/60/383842560.db2.gz IVHBLZNOJZQECT-JJTUDDRGSA-N 2 0 282.472 2.756 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000572948371 383844858 /nfs/dbraw/zinc/84/48/58/383844858.db2.gz WSRZBWIVCZDMOQ-DGADGQDISA-N 2 0 268.445 2.652 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCCC12CCOCC2)C1CC1 ZINC000453389460 383848963 /nfs/dbraw/zinc/84/89/63/383848963.db2.gz CMJITKCHTUOXOB-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2)cc1F ZINC000572974834 383851394 /nfs/dbraw/zinc/85/13/94/383851394.db2.gz AQUKWXZIZYNAOD-XQLPTFJDSA-N 2 0 292.398 2.940 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646106453 383874148 /nfs/dbraw/zinc/87/41/48/383874148.db2.gz YWHACLWWRXCTFH-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CCC1=CCCCC1)CCO2 ZINC000646106821 383874281 /nfs/dbraw/zinc/87/42/81/383874281.db2.gz VQAHYNFKXMFUMM-UHFFFAOYSA-N 2 0 278.440 2.674 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000531716055 383908980 /nfs/dbraw/zinc/90/89/80/383908980.db2.gz WBBWPKZQNNCIAW-XBVQOTNRSA-N 2 0 258.409 2.862 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000422816805 533018134 /nfs/dbraw/zinc/01/81/34/533018134.db2.gz BMMCRZTYUJRPCD-YCPHGPKFSA-N 2 0 270.461 2.935 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C)c2ccccc12 ZINC000423173325 533018635 /nfs/dbraw/zinc/01/86/35/533018635.db2.gz XYIXHZJSVIKFOJ-INIZCTEOSA-N 2 0 286.419 2.992 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000422826329 533019254 /nfs/dbraw/zinc/01/92/54/533019254.db2.gz QRRBZJVHEOVQPK-DZKIICNBSA-N 2 0 264.413 2.522 20 0 CFADRP COc1cc(CN2CCC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000573444922 383930525 /nfs/dbraw/zinc/93/05/25/383930525.db2.gz INSUUCJURJZMCT-LLVKDONJSA-N 2 0 298.814 2.528 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000422721445 533020143 /nfs/dbraw/zinc/02/01/43/533020143.db2.gz VLFLWSNWROQJAI-KKUMJFAQSA-N 2 0 256.434 2.545 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000070346724 412971195 /nfs/dbraw/zinc/97/11/95/412971195.db2.gz FIVIVIPKWFNUIE-GXTWGEPZSA-N 2 0 268.445 2.843 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000423147368 533021087 /nfs/dbraw/zinc/02/10/87/533021087.db2.gz RVNJGUSPXINFHH-LRDDRELGSA-N 2 0 298.377 2.686 20 0 CFADRP CC[C@H]([NH2+]CCN1CCCCCC1)C1CCOCC1 ZINC000532198600 383990332 /nfs/dbraw/zinc/99/03/32/383990332.db2.gz DEQHRJUMYYEFKR-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H]1CCC[C@H]1[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000532215472 383993307 /nfs/dbraw/zinc/99/33/07/383993307.db2.gz SLVNXWBUDHIVSP-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CCOCC1 ZINC000532214755 383993758 /nfs/dbraw/zinc/99/37/58/383993758.db2.gz LBFXBQXHOLMJFN-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC(OCc2ccccc2)C1 ZINC000573831088 383998075 /nfs/dbraw/zinc/99/80/75/383998075.db2.gz MFIHOAZTVQWJKB-KUQKPQIMSA-N 2 0 288.435 2.712 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC[C@H]1CCOC1 ZINC000438085741 383943983 /nfs/dbraw/zinc/94/39/83/383943983.db2.gz DNCBPSIMVOWZSU-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000573844769 384000278 /nfs/dbraw/zinc/00/02/78/384000278.db2.gz KLHFMJMLPJGSOC-NEPJUHHUSA-N 2 0 290.386 2.535 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000573594012 383959101 /nfs/dbraw/zinc/95/91/01/383959101.db2.gz FOEVFTXQPHISED-INIZCTEOSA-N 2 0 272.392 2.582 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000573951019 384020034 /nfs/dbraw/zinc/02/00/34/384020034.db2.gz NKHJPLNOIBBVOO-HNNXBMFYSA-N 2 0 250.386 2.736 20 0 CFADRP CCC[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532442211 384028584 /nfs/dbraw/zinc/02/85/84/384028584.db2.gz KOHXTIKISDLHGH-HUUCEWRRSA-N 2 0 295.496 2.815 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000532440992 384028844 /nfs/dbraw/zinc/02/88/44/384028844.db2.gz KTRDRCRBBUMQDN-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422781070 291844289 /nfs/dbraw/zinc/84/42/89/291844289.db2.gz KFNKUVGGWBTLFM-DLBZAZTESA-N 2 0 260.425 2.953 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000070356428 412974951 /nfs/dbraw/zinc/97/49/51/412974951.db2.gz ZMMWMVGGCOPJIK-HZPDHXFCSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641167605 384118288 /nfs/dbraw/zinc/11/82/88/384118288.db2.gz RYSCMHGNMLLQSF-HIFRSBDPSA-N 2 0 293.459 2.587 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000574510982 384108426 /nfs/dbraw/zinc/10/84/26/384108426.db2.gz KLWLYYORCWQJHD-AWEZNQCLSA-N 2 0 274.408 2.964 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000574765625 384143459 /nfs/dbraw/zinc/14/34/59/384143459.db2.gz RTCGJMRHIKFGFG-UHFFFAOYSA-N 2 0 297.402 2.550 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccncc2F)C1 ZINC000641402736 384183201 /nfs/dbraw/zinc/18/32/01/384183201.db2.gz KRVWNEQSECGCSO-OAHLLOKOSA-N 2 0 285.366 2.931 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC000266599560 384206308 /nfs/dbraw/zinc/20/63/08/384206308.db2.gz PWOJBOJOFXRHRS-YOEHRIQHSA-N 2 0 294.414 2.523 20 0 CFADRP C[C@H]1CCN(c2ccncc2F)C[C@@H]1n1ccnc1 ZINC000641435466 384191298 /nfs/dbraw/zinc/19/12/98/384191298.db2.gz IPWYYPWFJVGANA-FZMZJTMJSA-N 2 0 260.316 2.505 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC2CCSCC2)CC1 ZINC000637965829 384313282 /nfs/dbraw/zinc/31/32/82/384313282.db2.gz VWYLOJMIIAQYAZ-UHFFFAOYSA-N 2 0 270.486 2.793 20 0 CFADRP CSc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)o1 ZINC000641749541 384315368 /nfs/dbraw/zinc/31/53/68/384315368.db2.gz DMOKTCMOUJPYLH-UHFFFAOYSA-N 2 0 280.437 2.966 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000641707736 384279957 /nfs/dbraw/zinc/27/99/57/384279957.db2.gz PMOVTOGRWOJNBH-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000641707790 384280408 /nfs/dbraw/zinc/28/04/08/384280408.db2.gz KKSMWUIHTMPDPN-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+](CC)CC[C@H](CO)NCc1cc2ccccc2o1 ZINC000641773227 384338659 /nfs/dbraw/zinc/33/86/59/384338659.db2.gz WVCHNZHVDJGZQP-OAHLLOKOSA-N 2 0 290.407 2.615 20 0 CFADRP CC[NH+](CC)CC[C@@H](CO)NC/C=C/c1ccc(F)cc1 ZINC000641772319 384339300 /nfs/dbraw/zinc/33/93/00/384339300.db2.gz OXAZIDHQPDHETM-RTRPANQVSA-N 2 0 294.414 2.521 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641779231 384343773 /nfs/dbraw/zinc/34/37/73/384343773.db2.gz DIDSPPIZRXWJLG-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641795880 384360311 /nfs/dbraw/zinc/36/03/11/384360311.db2.gz ATFIEMXMMYPRKL-LLVKDONJSA-N 2 0 275.421 2.856 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000641796947 384361035 /nfs/dbraw/zinc/36/10/35/384361035.db2.gz NJFSLEIZAURMDR-MRXNPFEDSA-N 2 0 278.440 2.695 20 0 CFADRP CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[NH2+]CC1 ZINC000641797318 384363561 /nfs/dbraw/zinc/36/35/61/384363561.db2.gz ARJPOTBXIHIGQG-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000641799489 384365297 /nfs/dbraw/zinc/36/52/97/384365297.db2.gz PUTUXSUVESEGFX-CABCVRRESA-N 2 0 291.439 2.757 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000641800079 384366604 /nfs/dbraw/zinc/36/66/04/384366604.db2.gz VHPNBUKOWJPBKY-HZPDHXFCSA-N 2 0 278.440 2.554 20 0 CFADRP CC1(C)c2ccccc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000641801234 384369168 /nfs/dbraw/zinc/36/91/68/384369168.db2.gz OHTOPOJGYSTLJZ-AWEZNQCLSA-N 2 0 258.409 2.779 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(F)F)c1 ZINC000641801618 384369628 /nfs/dbraw/zinc/36/96/28/384369628.db2.gz UARRECPJLYATJC-NEPJUHHUSA-N 2 0 254.324 2.840 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCc2c(F)cccc2F)C[C@@H]1[NH3+] ZINC000641802160 384370761 /nfs/dbraw/zinc/37/07/61/384370761.db2.gz YJOZOVDNIASIGI-UONOGXRCSA-N 2 0 268.351 2.613 20 0 CFADRP Cc1nc(C(C)C)ccc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802200 384371771 /nfs/dbraw/zinc/37/17/71/384371771.db2.gz ZKCBGTRNGDBBCR-GJZGRUSLSA-N 2 0 261.413 2.729 20 0 CFADRP COc1cc(OC)c([C@H](C)[NH2+]CCCC[NH3+])cc1Cl ZINC000423320224 533058904 /nfs/dbraw/zinc/05/89/04/533058904.db2.gz DGEMXIROWLBDDB-JTQLQIEISA-N 2 0 286.803 2.747 20 0 CFADRP [NH3+][C@@H]1CC=C(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000638067694 384389940 /nfs/dbraw/zinc/38/99/40/384389940.db2.gz SZSJPAJNTAEWTD-MRXNPFEDSA-N 2 0 299.418 2.659 20 0 CFADRP C(C[C@@H]1CCO1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638177629 384470948 /nfs/dbraw/zinc/47/09/48/384470948.db2.gz DDRMJTHRXMQXRV-OIISXLGYSA-N 2 0 278.440 2.504 20 0 CFADRP c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sn1 ZINC000638184213 384477686 /nfs/dbraw/zinc/47/76/86/384477686.db2.gz YBSMNUHAHMMQED-SWLSCSKDSA-N 2 0 277.437 2.592 20 0 CFADRP Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000643032777 384480858 /nfs/dbraw/zinc/48/08/58/384480858.db2.gz HZOYQLBLABVGKH-MLGOLLRUSA-N 2 0 285.366 2.871 20 0 CFADRP Fc1cccc([C@H]2CC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000643058194 384487668 /nfs/dbraw/zinc/48/76/68/384487668.db2.gz LNVCXWAIBVZHKL-CZUORRHYSA-N 2 0 262.372 2.962 20 0 CFADRP CCOC1CC(C[NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC000638307820 384547040 /nfs/dbraw/zinc/54/70/40/384547040.db2.gz FOOIQBWRQPLMOG-UHFFFAOYSA-N 2 0 290.451 2.913 20 0 CFADRP C[N@H+](CCC[NH2+]CCC[C@@H]1CCO1)Cc1ccccc1 ZINC000638310244 384549025 /nfs/dbraw/zinc/54/90/25/384549025.db2.gz REQPKMKDEISOLK-QGZVFWFLSA-N 2 0 276.424 2.667 20 0 CFADRP Cc1ccncc1CCC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000289346733 197305414 /nfs/dbraw/zinc/30/54/14/197305414.db2.gz WWIWLNAFHXBECF-UHFFFAOYSA-N 2 0 287.451 2.929 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@@H]1C ZINC000638299649 384540772 /nfs/dbraw/zinc/54/07/72/384540772.db2.gz KSKWSSNNUMMSFW-IIAWOOMASA-N 2 0 282.472 2.636 20 0 CFADRP C[N@H+](CCC[NH2+]C1CC(n2cccn2)C1)C1CCCCC1 ZINC000638300954 384540870 /nfs/dbraw/zinc/54/08/70/384540870.db2.gz LMFSDMJVPYFAAG-UHFFFAOYSA-N 2 0 290.455 2.831 20 0 CFADRP CO[C@H](C[NH2+]CCC[N@H+](C)C(C)C)C1CCCC1 ZINC000638337603 384568442 /nfs/dbraw/zinc/56/84/42/384568442.db2.gz IDYSFCYDAVHWGG-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cncc(F)c1 ZINC000278427080 384569556 /nfs/dbraw/zinc/56/95/56/384569556.db2.gz JCNUKFLHKCTTTF-GFCCVEGCSA-N 2 0 277.387 2.746 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@@H](C)N1CCCC[C@H]1C)C1CC1 ZINC000638359920 384581670 /nfs/dbraw/zinc/58/16/70/384581670.db2.gz FIYMLBUAEUVFQI-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CS[C@H](C)C1)N1CCCC[C@H]1C ZINC000638360320 384583323 /nfs/dbraw/zinc/58/33/23/384583323.db2.gz HYWMBZOFCBRMIP-RQJABVFESA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CC1(F)F ZINC000638381437 384608243 /nfs/dbraw/zinc/60/82/43/384608243.db2.gz LKABODVJRKEPHX-SWLSCSKDSA-N 2 0 298.377 2.760 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000638381064 384608463 /nfs/dbraw/zinc/60/84/63/384608463.db2.gz IJQWJIDJMXYNQY-CVEARBPZSA-N 2 0 272.436 2.723 20 0 CFADRP C[C@@H](C[NH2+]CCC1CCOCC1)C[NH+]1CCCCC1 ZINC000638389779 384615230 /nfs/dbraw/zinc/61/52/30/384615230.db2.gz DEXDUJKQJWMSHR-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)C[NH+]1CCCCC1 ZINC000638389878 384615636 /nfs/dbraw/zinc/61/56/36/384615636.db2.gz GWXJITBTUWBGKP-AGIUHOORSA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000643344993 384597219 /nfs/dbraw/zinc/59/72/19/384597219.db2.gz FWXGKTPPMQZRLC-RDJZCZTQSA-N 2 0 287.451 2.651 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CC1(F)F ZINC000638371756 384598615 /nfs/dbraw/zinc/59/86/15/384598615.db2.gz WAIDZYBSBMBNJA-CRWXNKLISA-N 2 0 274.399 2.988 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000643499048 384663176 /nfs/dbraw/zinc/66/31/76/384663176.db2.gz PCCFMKXNCGZYFW-XHDPSFHLSA-N 2 0 250.361 2.648 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1 ZINC000643498786 384663694 /nfs/dbraw/zinc/66/36/94/384663694.db2.gz VOSGCQCYYALESC-UONOGXRCSA-N 2 0 254.418 2.585 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638450853 384668456 /nfs/dbraw/zinc/66/84/56/384668456.db2.gz JJIVIALIPFGTRY-UHFFFAOYSA-N 2 0 293.361 2.944 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000268823935 384669417 /nfs/dbraw/zinc/66/94/17/384669417.db2.gz SRBRZAPPIDGGHE-GRDNDAEWSA-N 2 0 276.424 2.904 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000643503559 384674087 /nfs/dbraw/zinc/67/40/87/384674087.db2.gz AWIKIDFFOLHDBV-YMAMQOFZSA-N 2 0 263.360 2.531 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453217 384634656 /nfs/dbraw/zinc/63/46/56/384634656.db2.gz PMVRPEWDOVWBAN-APHBMKBZSA-N 2 0 293.842 2.636 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000643456915 384636938 /nfs/dbraw/zinc/63/69/38/384636938.db2.gz VIBLNWSICVOUGP-RBSFLKMASA-N 2 0 268.445 2.558 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCCc1ccc(C)cc1C ZINC000643457054 384637143 /nfs/dbraw/zinc/63/71/43/384637143.db2.gz KLJSYTMGSDZULF-QGZVFWFLSA-N 2 0 278.440 2.580 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2cc(Cl)ccc12)C1C[NH2+]C1 ZINC000643457503 384637581 /nfs/dbraw/zinc/63/75/81/384637581.db2.gz HHEFNLHGUCAFPR-SNVBAGLBSA-N 2 0 277.799 2.561 20 0 CFADRP CCOC1CC(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)C1 ZINC000638417164 384638625 /nfs/dbraw/zinc/63/86/25/384638625.db2.gz HCFVCXVNYMYXPX-DLXPNOHRSA-N 2 0 282.472 2.758 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000643458238 384639848 /nfs/dbraw/zinc/63/98/48/384639848.db2.gz COYWCXBAYHQRFU-AVGNSLFASA-N 2 0 250.386 2.862 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643462016 384641914 /nfs/dbraw/zinc/64/19/14/384641914.db2.gz UJRYPPCKSOHDHI-KOZAUXTDSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643462010 384642104 /nfs/dbraw/zinc/64/21/04/384642104.db2.gz RAMAIYUZPRQGQH-FXUDXRNXSA-N 2 0 268.445 2.702 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000643467412 384648228 /nfs/dbraw/zinc/64/82/28/384648228.db2.gz AJBVDSUBDMIAAR-TUURBPCVSA-N 2 0 294.826 2.900 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000643467795 384648451 /nfs/dbraw/zinc/64/84/51/384648451.db2.gz KWMDKOVEGNFRNC-ZFWWWQNUSA-N 2 0 290.407 2.641 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000643467796 384648575 /nfs/dbraw/zinc/64/85/75/384648575.db2.gz LPQVXLWWRHCCFA-HNNXBMFYSA-N 2 0 280.387 2.548 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCCO2 ZINC000643467793 384648749 /nfs/dbraw/zinc/64/87/49/384648749.db2.gz KWMDKOVEGNFRNC-HIFRSBDPSA-N 2 0 290.407 2.641 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643474204 384652373 /nfs/dbraw/zinc/65/23/73/384652373.db2.gz NSTFSUGKFJUGPQ-WGMOCZARSA-N 2 0 274.408 2.805 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)ccc1F ZINC000643477588 384655025 /nfs/dbraw/zinc/65/50/25/384655025.db2.gz PMMHLSFIVWMEPC-DGCLKSJQSA-N 2 0 266.360 2.627 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000643493794 384661055 /nfs/dbraw/zinc/66/10/55/384661055.db2.gz PBGRYAXVBXEUES-RRFJBIMHSA-N 2 0 278.440 2.979 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000643508391 384681276 /nfs/dbraw/zinc/68/12/76/384681276.db2.gz ZHHVIMVGPPLYGQ-OAHLLOKOSA-N 2 0 266.816 2.785 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000643513064 384685050 /nfs/dbraw/zinc/68/50/50/384685050.db2.gz PWLRVMUFBMLSTH-HOTGVXAUSA-N 2 0 268.445 2.846 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000643521661 384686791 /nfs/dbraw/zinc/68/67/91/384686791.db2.gz SNHPBIUXBLEQAR-HZMBPMFUSA-N 2 0 254.324 2.758 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000643520123 384686856 /nfs/dbraw/zinc/68/68/56/384686856.db2.gz DORJGGNLHSKMES-HNNXBMFYSA-N 2 0 262.784 2.837 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000643521010 384687213 /nfs/dbraw/zinc/68/72/13/384687213.db2.gz ZFWLGOKZDRFFOS-DQYPLSBCSA-N 2 0 273.424 2.624 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cnn1C(C)C ZINC000643521759 384687591 /nfs/dbraw/zinc/68/75/91/384687591.db2.gz BGIWPEDNVWYUTK-OCCSQVGLSA-N 2 0 264.417 2.565 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000643522378 384689839 /nfs/dbraw/zinc/68/98/39/384689839.db2.gz MHMNYGMWUMXSEL-DGCLKSJQSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000643524102 384691014 /nfs/dbraw/zinc/69/10/14/384691014.db2.gz IYPLKWIBSIRCOL-SDDRHHMPSA-N 2 0 292.452 2.864 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000643523884 384691914 /nfs/dbraw/zinc/69/19/14/384691914.db2.gz KCWBQUIQXRPQKE-CFVMTHIKSA-N 2 0 290.407 2.768 20 0 CFADRP Cc1nn(C)c2sc([C@H](C)[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000643524104 384692106 /nfs/dbraw/zinc/69/21/06/384692106.db2.gz IYPLKWIBSIRCOL-TUAOUCFPSA-N 2 0 292.452 2.864 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000643524018 384692228 /nfs/dbraw/zinc/69/22/28/384692228.db2.gz ZJXGUTRZARITNJ-LZWOXQAQSA-N 2 0 289.423 2.572 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H]2CCc3c2cc(F)cc3F)CC[NH2+]1 ZINC000643525801 384694681 /nfs/dbraw/zinc/69/46/81/384694681.db2.gz OOFAPMAKKQDCHQ-VPJDZLOFSA-N 2 0 266.335 2.682 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643526513 384696101 /nfs/dbraw/zinc/69/61/01/384696101.db2.gz ADVJAJWGWVKIQO-AATLWQCWSA-N 2 0 258.818 2.830 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000268954174 384700000 /nfs/dbraw/zinc/70/00/00/384700000.db2.gz VWSUZPQIEPOCPJ-CABCVRRESA-N 2 0 296.480 2.944 20 0 CFADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[NH3+] ZINC000643528415 384700529 /nfs/dbraw/zinc/70/05/29/384700529.db2.gz IZTUAOBIYXINEM-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000643528414 384701058 /nfs/dbraw/zinc/70/10/58/384701058.db2.gz IZTUAOBIYXINEM-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP C[C@@H]([NH3+])CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000643529616 384703709 /nfs/dbraw/zinc/70/37/09/384703709.db2.gz GRWPTCXVBYLVPV-CYBMUJFWSA-N 2 0 269.477 2.602 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000643532411 384703941 /nfs/dbraw/zinc/70/39/41/384703941.db2.gz WSMGWFDBCIFLKX-DRZSPHRISA-N 2 0 267.442 2.867 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000643533329 384705792 /nfs/dbraw/zinc/70/57/92/384705792.db2.gz ITTWRKRUBGCXEO-MNOVXSKESA-N 2 0 277.368 2.702 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534780 384707737 /nfs/dbraw/zinc/70/77/37/384707737.db2.gz CKPXDXXYWVGPPM-TZMCWYRMSA-N 2 0 264.438 2.801 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)C[C@H]1OC ZINC000643548934 384727403 /nfs/dbraw/zinc/72/74/03/384727403.db2.gz XSUQXVZBUGWYQJ-RBSFLKMASA-N 2 0 280.456 2.844 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536617 384711156 /nfs/dbraw/zinc/71/11/56/384711156.db2.gz STXUBZCSIWNEMR-RDJZCZTQSA-N 2 0 286.419 2.804 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536554 384711457 /nfs/dbraw/zinc/71/14/57/384711457.db2.gz RSWHKPZNOMHOCZ-CVEARBPZSA-N 2 0 272.392 2.501 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536573 384711659 /nfs/dbraw/zinc/71/16/59/384711659.db2.gz SDSCTHIZIPKYKC-HOCLYGCPSA-N 2 0 290.382 2.553 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1C(C)C ZINC000643536768 384711875 /nfs/dbraw/zinc/71/18/75/384711875.db2.gz WIUYWVXHFYKOHH-WFASDCNBSA-N 2 0 276.428 2.565 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643536529 384712019 /nfs/dbraw/zinc/71/20/19/384712019.db2.gz UPLNDCUMDGQJOP-WBVHZDCISA-N 2 0 286.419 2.940 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1N(C)C ZINC000643536028 384712120 /nfs/dbraw/zinc/71/21/20/384712120.db2.gz QMERFMZCCQDQAS-WBMJQRKESA-N 2 0 291.414 2.684 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536992 384713260 /nfs/dbraw/zinc/71/32/60/384713260.db2.gz ZUHLQJBLVCPBJP-HOCLYGCPSA-N 2 0 273.424 2.525 20 0 CFADRP c1ccc2c(c1)CC([NH2+]C1CC[NH+](C3CCC3)CC1)C2 ZINC000269024907 384713474 /nfs/dbraw/zinc/71/34/74/384713474.db2.gz QKNBGUHKGSSBPL-UHFFFAOYSA-N 2 0 270.420 2.760 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643537049 384713785 /nfs/dbraw/zinc/71/37/85/384713785.db2.gz YLEOXSLXSLDCLV-HOCLYGCPSA-N 2 0 290.382 2.771 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000643542776 384721562 /nfs/dbraw/zinc/72/15/62/384721562.db2.gz XTKFGLGDJJBVGU-UWJYBYFXSA-N 2 0 253.415 2.538 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000643542627 384722187 /nfs/dbraw/zinc/72/21/87/384722187.db2.gz UREWZBWDVMQIMN-UPJWGTAASA-N 2 0 252.427 2.786 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000643542775 384722758 /nfs/dbraw/zinc/72/27/58/384722758.db2.gz XTKFGLGDJJBVGU-KPXOXKRLSA-N 2 0 253.415 2.538 20 0 CFADRP CC[C@@](C)(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)OC ZINC000638602327 384775732 /nfs/dbraw/zinc/77/57/32/384775732.db2.gz BQGXQLJDNSMWGF-ZFWWWQNUSA-N 2 0 258.450 2.758 20 0 CFADRP C[C@@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000638548469 384737559 /nfs/dbraw/zinc/73/75/59/384737559.db2.gz BXYVGCMVLNJYMU-IRXDYDNUSA-N 2 0 295.515 2.676 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000638562737 384742719 /nfs/dbraw/zinc/74/27/19/384742719.db2.gz BGTNHMXYDDCAAD-JSGCOSHPSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000638566261 384745787 /nfs/dbraw/zinc/74/57/87/384745787.db2.gz FKCCYTQXZLOUQU-HZSPNIEDSA-N 2 0 256.459 2.590 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638666159 384821781 /nfs/dbraw/zinc/82/17/81/384821781.db2.gz IGEUIEVKRTVURI-ZBFHGGJFSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000638692706 384837702 /nfs/dbraw/zinc/83/77/02/384837702.db2.gz LEQDMNBAHIZIID-JSGCOSHPSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@]1(F)c1ccccc1)C1CC[NH+](C)CC1 ZINC000643908572 384788782 /nfs/dbraw/zinc/78/87/82/384788782.db2.gz FFTOOIYVNUTYGR-JQFCIGGWSA-N 2 0 276.399 2.944 20 0 CFADRP CCOC1CC(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000638634583 384797761 /nfs/dbraw/zinc/79/77/61/384797761.db2.gz OBPZOAPZTNRZON-UHFFFAOYSA-N 2 0 294.414 2.792 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638693021 384839784 /nfs/dbraw/zinc/83/97/84/384839784.db2.gz OWWOQESBXCSLEY-UHFFFAOYSA-N 2 0 277.412 2.764 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)[C@@H]1CC1(F)F ZINC000638700757 384847927 /nfs/dbraw/zinc/84/79/27/384847927.db2.gz KTBJADGYNZGWIQ-ZZIFITQXSA-N 2 0 258.356 2.635 20 0 CFADRP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000269750605 384861469 /nfs/dbraw/zinc/86/14/69/384861469.db2.gz ZVKNLUMDDVXVHC-MXSMSXNCSA-N 2 0 288.435 2.664 20 0 CFADRP CO[C@@H](C[NH2+]CC1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000638723048 384867326 /nfs/dbraw/zinc/86/73/26/384867326.db2.gz XLLOZVQMIFJDKK-KRWDZBQOSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787842 384919685 /nfs/dbraw/zinc/91/96/85/384919685.db2.gz LPLBDGQYDCVTKF-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638788631 384921076 /nfs/dbraw/zinc/92/10/76/384921076.db2.gz NOUMXSNTSQCCNV-NXOAAHMSSA-N 2 0 264.457 2.990 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414758192 285144518 /nfs/dbraw/zinc/14/45/18/285144518.db2.gz MHCBHSSLNQNVPA-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]CC2CCSCC2)c1 ZINC000638849918 384984389 /nfs/dbraw/zinc/98/43/89/384984389.db2.gz DDBOKGRBGMKSQM-UHFFFAOYSA-N 2 0 278.465 2.981 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638865354 384997734 /nfs/dbraw/zinc/99/77/34/384997734.db2.gz VHXBBFZTXLOCCA-HOCLYGCPSA-N 2 0 292.471 2.971 20 0 CFADRP Cc1ccncc1CCC[NH2+]CCC[NH+]1CCCCC1 ZINC000289229762 197269591 /nfs/dbraw/zinc/26/95/91/197269591.db2.gz KBWULUYNXZPUQA-UHFFFAOYSA-N 2 0 275.440 2.788 20 0 CFADRP CN1CC[C@H]2CC[N@H+](CC(C)(C)Oc3ccccc3)[C@H]2C1 ZINC000638919142 385030217 /nfs/dbraw/zinc/03/02/17/385030217.db2.gz ZLXOCDFKJJKUHS-RDJZCZTQSA-N 2 0 288.435 2.870 20 0 CFADRP CC(C)[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000280519961 385044274 /nfs/dbraw/zinc/04/42/74/385044274.db2.gz HPXDSPIQQUXGEK-FGTMMUONSA-N 2 0 272.436 2.920 20 0 CFADRP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CCCN(C)C1 ZINC000644883246 385115361 /nfs/dbraw/zinc/11/53/61/385115361.db2.gz BKRNRGNZBSPYCA-OTMARIDSSA-N 2 0 288.435 2.920 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C1 ZINC000645095010 385183106 /nfs/dbraw/zinc/18/31/06/385183106.db2.gz KEZAHEBAGUHGDU-MSOLQXFVSA-N 2 0 291.483 2.587 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CCCC12CC[NH+](C)CC2)OC ZINC000639082043 385161990 /nfs/dbraw/zinc/16/19/90/385161990.db2.gz NUVGBIXWUOUHCZ-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000639090994 385174097 /nfs/dbraw/zinc/17/40/97/385174097.db2.gz PUYSNIAELLEWDZ-LSDHHAIUSA-N 2 0 282.472 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(CCC(C)(C)CC)[C@H]2C1 ZINC000645181275 385228166 /nfs/dbraw/zinc/22/81/66/385228166.db2.gz HPIDTEPBHYQHIK-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CCOCC(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000645190735 385234531 /nfs/dbraw/zinc/23/45/31/385234531.db2.gz LWXHOMJOWVLZBQ-UHFFFAOYSA-N 2 0 294.439 2.532 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000282475514 385321172 /nfs/dbraw/zinc/32/11/72/385321172.db2.gz PSBOFOAQVNBXTD-RYQLBKOJSA-N 2 0 290.451 2.657 20 0 CFADRP Cc1nccn1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000270886482 385258711 /nfs/dbraw/zinc/25/87/11/385258711.db2.gz OFQZWRFSSNPOCF-OAHLLOKOSA-N 2 0 273.355 2.820 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639224531 385350246 /nfs/dbraw/zinc/35/02/46/385350246.db2.gz LSFNMLCBZLGRKN-OAHLLOKOSA-N 2 0 282.472 2.946 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(F)c1N ZINC000639231940 385359841 /nfs/dbraw/zinc/35/98/41/385359841.db2.gz XEQNEBIGHNGMFJ-UHFFFAOYSA-N 2 0 267.392 2.618 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCc2cc(C)cc(Cl)n2)[C@@H](C)C1 ZINC000282778907 385386521 /nfs/dbraw/zinc/38/65/21/385386521.db2.gz PKPXLOJUEHLDDP-GXTWGEPZSA-N 2 0 281.831 2.863 20 0 CFADRP Cc1nc2ccccc2nc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000639257380 385386601 /nfs/dbraw/zinc/38/66/01/385386601.db2.gz NDDLNOGUNMLYIG-HNNXBMFYSA-N 2 0 298.434 2.760 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000271908219 385398189 /nfs/dbraw/zinc/39/81/89/385398189.db2.gz XGBIGCKJRBXQMG-KRWDZBQOSA-N 2 0 272.392 2.534 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000639281103 385409215 /nfs/dbraw/zinc/40/92/15/385409215.db2.gz QWMJVHHHZHRFRV-DOTOQJQBSA-N 2 0 294.483 2.780 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC(C)(C)Oc2ccccc2)C1 ZINC000639311939 385438890 /nfs/dbraw/zinc/43/88/90/385438890.db2.gz ICYYCSYBUHZKIN-GASCZTMLSA-N 2 0 276.424 2.774 20 0 CFADRP CO[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)c1ccc(Cl)cc1 ZINC000283159074 385441532 /nfs/dbraw/zinc/44/15/32/385441532.db2.gz OXLBTCQSNMILCH-BBRMVZONSA-N 2 0 296.842 2.911 20 0 CFADRP Cc1n[nH]cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272212330 385475966 /nfs/dbraw/zinc/47/59/66/385475966.db2.gz QGXNNHBKORBYLG-WMLDXEAASA-N 2 0 298.434 2.718 20 0 CFADRP COC[C@H](C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000639360528 385481394 /nfs/dbraw/zinc/48/13/94/385481394.db2.gz XEIDPNRWOIHTFE-JFIYKMOQSA-N 2 0 290.451 2.627 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000639338053 385464326 /nfs/dbraw/zinc/46/43/26/385464326.db2.gz RVTHEHLFWZGRJU-VHDGCEQUSA-N 2 0 268.470 2.592 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000639338051 385464389 /nfs/dbraw/zinc/46/43/89/385464389.db2.gz RVTHEHLFWZGRJU-BPLDGKMQSA-N 2 0 268.470 2.592 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000639375595 385492371 /nfs/dbraw/zinc/49/23/71/385492371.db2.gz XQEHBSFFHHMDLN-HNNXBMFYSA-N 2 0 266.429 2.506 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121696183 413001328 /nfs/dbraw/zinc/00/13/28/413001328.db2.gz GBKFSVFIPLRWRF-NXOAAHMSSA-N 2 0 292.467 2.654 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000639378058 385495158 /nfs/dbraw/zinc/49/51/58/385495158.db2.gz MFWWLGJHRBHPKU-QDMKHBRRSA-N 2 0 250.430 2.839 20 0 CFADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000639450828 385537245 /nfs/dbraw/zinc/53/72/45/385537245.db2.gz BPNOXAXQYCASRA-AEFFLSMTSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]([NH2+]CC1(C)COC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272505786 385555309 /nfs/dbraw/zinc/55/53/09/385555309.db2.gz OFKBKLVUUVURQM-DOTOQJQBSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1F ZINC000272539041 385560669 /nfs/dbraw/zinc/56/06/69/385560669.db2.gz BUVREWXZYNXQKP-ZBFHGGJFSA-N 2 0 262.372 2.660 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639509989 385565954 /nfs/dbraw/zinc/56/59/54/385565954.db2.gz RWZYYTXKRFEOIG-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423313604 533130478 /nfs/dbraw/zinc/13/04/78/533130478.db2.gz WZUCTKATLNQFDH-KBXCAEBGSA-N 2 0 299.418 2.558 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000272723865 385596458 /nfs/dbraw/zinc/59/64/58/385596458.db2.gz GEPUQROHEQNIRL-STQMWFEESA-N 2 0 277.412 2.636 20 0 CFADRP CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272700098 385592121 /nfs/dbraw/zinc/59/21/21/385592121.db2.gz YIDVCNLOYHYVLL-NXHRZFHOSA-N 2 0 290.451 2.648 20 0 CFADRP COc1ccc([C@@H]([NH2+][C@H](C)CCC[NH3+])C2CC2)cc1 ZINC000422947249 533134672 /nfs/dbraw/zinc/13/46/72/533134672.db2.gz XXKXXNQPGTXKOG-WBMJQRKESA-N 2 0 262.397 2.863 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000272773514 385610610 /nfs/dbraw/zinc/61/06/10/385610610.db2.gz SYXHKADZNAXBTR-QZTJIDSGSA-N 2 0 288.435 2.531 20 0 CFADRP C[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C(C)(C)C ZINC000639746656 385692441 /nfs/dbraw/zinc/69/24/41/385692441.db2.gz KRYIDHCSONNOQT-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH3+])cc1F ZINC000423184329 533139345 /nfs/dbraw/zinc/13/93/45/533139345.db2.gz IINJKGCDZLUTEX-ZFWWWQNUSA-N 2 0 280.387 2.799 20 0 CFADRP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1C(C)(C)C ZINC000639750913 385696113 /nfs/dbraw/zinc/69/61/13/385696113.db2.gz QANCCPQWNVFRHE-CVEARBPZSA-N 2 0 281.488 2.523 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC000639755413 385698047 /nfs/dbraw/zinc/69/80/47/385698047.db2.gz KCSJFNHFJMBTED-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP COCC1(C[NH2+]Cc2cccc3ccccc32)CC[NH2+]CC1 ZINC000414959225 533141235 /nfs/dbraw/zinc/14/12/35/533141235.db2.gz SBGRDAXYBMQUEL-UHFFFAOYSA-N 2 0 298.430 2.946 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC000274213145 385739568 /nfs/dbraw/zinc/73/95/68/385739568.db2.gz INKPJDRAJXYEIJ-INIZCTEOSA-N 2 0 296.842 2.621 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccccc2Cl)CC1 ZINC000274213252 385739833 /nfs/dbraw/zinc/73/98/33/385739833.db2.gz IQVNCBYBWJHBDI-INIZCTEOSA-N 2 0 296.842 2.621 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000639984338 385805937 /nfs/dbraw/zinc/80/59/37/385805937.db2.gz TWMSKRGOGYUZSR-KRWDZBQOSA-N 2 0 294.483 2.878 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639987326 385808231 /nfs/dbraw/zinc/80/82/31/385808231.db2.gz HQKGQYGLNFSGCT-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP CC[NH+]1CCC(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274413055 385791750 /nfs/dbraw/zinc/79/17/50/385791750.db2.gz FBOJBLLWTJXFFY-MAUKXSAKSA-N 2 0 289.467 2.752 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(CC)cc2)CC1 ZINC000276690430 386016310 /nfs/dbraw/zinc/01/63/10/386016310.db2.gz WCTJEZRWNNBIFT-GOSISDBHSA-N 2 0 290.451 2.746 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276997248 386103341 /nfs/dbraw/zinc/10/33/41/386103341.db2.gz YBQMJXPHYFNLIN-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP COc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000276948320 386087912 /nfs/dbraw/zinc/08/79/12/386087912.db2.gz IJJGRENENAYURB-OAHLLOKOSA-N 2 0 291.439 2.834 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000423165752 285220001 /nfs/dbraw/zinc/22/00/01/285220001.db2.gz QFSQRVHXKAQHKD-UONOGXRCSA-N 2 0 256.434 2.546 20 0 CFADRP CN(CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277096594 386128927 /nfs/dbraw/zinc/12/89/27/386128927.db2.gz GFIMYDOUPVNVSS-MRXNPFEDSA-N 2 0 275.440 2.539 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000423241174 533176103 /nfs/dbraw/zinc/17/61/03/533176103.db2.gz UQULQPIUASXDRO-VNHYZAJKSA-N 2 0 292.423 2.537 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423233881 533176128 /nfs/dbraw/zinc/17/61/28/533176128.db2.gz KQSFNJCPFHUTOK-IPYPFGDCSA-N 2 0 262.397 2.529 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000681091040 542410038 /nfs/dbraw/zinc/41/00/38/542410038.db2.gz WMUDDFXYGNEHOM-HIFPTAJRSA-N 2 0 260.372 2.740 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1CCCC1 ZINC000446746364 285236556 /nfs/dbraw/zinc/23/65/56/285236556.db2.gz UDPJHCVIONYTTA-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C2CC(C(F)F)C2)CCCC1 ZINC000681116558 542414340 /nfs/dbraw/zinc/41/43/40/542414340.db2.gz BTXKSPBPYKTKGO-UHFFFAOYSA-N 2 0 260.372 2.742 20 0 CFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423224365 533189109 /nfs/dbraw/zinc/18/91/09/533189109.db2.gz ITLZUJCGBLZWBH-KSSFIOAISA-N 2 0 299.418 2.701 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129072593 413026844 /nfs/dbraw/zinc/02/68/44/413026844.db2.gz QTBORVVDGBIIBB-ZFWWWQNUSA-N 2 0 262.397 2.878 20 0 CFADRP Fc1cncc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000281331256 195200656 /nfs/dbraw/zinc/20/06/56/195200656.db2.gz TZEOVWSSMDTISQ-YVEFUNNKSA-N 2 0 289.398 2.746 20 0 CFADRP OC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000414343093 285274593 /nfs/dbraw/zinc/27/45/93/285274593.db2.gz QKLRVFVWRSKQMV-NVXWUHKLSA-N 2 0 294.483 2.924 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000130727579 413031454 /nfs/dbraw/zinc/03/14/54/413031454.db2.gz XMROPZPXNHZXCY-HOCLYGCPSA-N 2 0 262.397 2.645 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000423282508 533222451 /nfs/dbraw/zinc/22/24/51/533222451.db2.gz VGCGUSSNDDPPPD-WDMOLILDSA-N 2 0 297.830 2.912 20 0 CFADRP C[C@H]1SCC[N@H+](CCCC2CC[NH2+]CC2)[C@H]1C ZINC000133033626 413040290 /nfs/dbraw/zinc/04/02/90/413040290.db2.gz ZFYZNBBZYPMRHQ-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000391108101 262381373 /nfs/dbraw/zinc/38/13/73/262381373.db2.gz YWSNILFQVPEUBE-JSGCOSHPSA-N 2 0 281.469 2.894 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000131982390 285352710 /nfs/dbraw/zinc/35/27/10/285352710.db2.gz QMNXURCNCNOGTI-OFQRWUPVSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000133022374 285375951 /nfs/dbraw/zinc/37/59/51/285375951.db2.gz WSYGTWJYHMEMNP-GDBMZVCRSA-N 2 0 281.488 2.569 20 0 CFADRP CC[N@@H+]1CC[C@@H](NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000156166131 285376669 /nfs/dbraw/zinc/37/66/69/285376669.db2.gz AQUHWDPZYIKSGM-NXHRZFHOSA-N 2 0 289.467 2.609 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423484458 285389378 /nfs/dbraw/zinc/38/93/78/285389378.db2.gz REDMGHSKAVWFPX-WMLDXEAASA-N 2 0 274.408 2.891 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423547964 285389889 /nfs/dbraw/zinc/38/98/89/285389889.db2.gz QQVHRVPUEIDAMG-OIPACUDHSA-N 2 0 286.419 2.747 20 0 CFADRP COC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCCC1 ZINC000373524025 285396821 /nfs/dbraw/zinc/39/68/21/285396821.db2.gz QQZXZFPPAFQCTK-JCYILVPMSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423220380 533297852 /nfs/dbraw/zinc/29/78/52/533297852.db2.gz YHYUPTRHYANNJR-SUMWQHHRSA-N 2 0 274.408 2.662 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CCS2 ZINC000423524584 533300606 /nfs/dbraw/zinc/30/06/06/533300606.db2.gz ZRBMWQJTHOCFIO-LALPHHSUSA-N 2 0 292.448 2.949 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCS2 ZINC000423524586 533301725 /nfs/dbraw/zinc/30/17/25/533301725.db2.gz ZRBMWQJTHOCFIO-TYNCELHUSA-N 2 0 292.448 2.949 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(-n2cccn2)c1 ZINC000422807874 533341281 /nfs/dbraw/zinc/34/12/81/533341281.db2.gz KEDQKKTYMDGZOA-KTFSGNIMSA-N 2 0 296.418 2.806 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000423473909 533389193 /nfs/dbraw/zinc/38/91/93/533389193.db2.gz GYOAXEPPJYTGLW-HIFRSBDPSA-N 2 0 290.407 2.641 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414771614 533386772 /nfs/dbraw/zinc/38/67/72/533386772.db2.gz AAXWEFOQDWRVJW-JKSUJKDBSA-N 2 0 288.435 2.825 20 0 CFADRP COc1ccc2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000414841241 533330198 /nfs/dbraw/zinc/33/01/98/533330198.db2.gz ZBHVGXMOZNWDDF-OAHLLOKOSA-N 2 0 284.403 2.938 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000414076383 533449036 /nfs/dbraw/zinc/44/90/36/533449036.db2.gz QAKWFHUIJOMFKX-CPUCHLNUSA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H](C1C[NH2+]C1)[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000423151136 533391531 /nfs/dbraw/zinc/39/15/31/533391531.db2.gz CRMMMAMUJRZOBL-LBPRGKRZSA-N 2 0 294.389 2.827 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423241633 533411642 /nfs/dbraw/zinc/41/16/42/533411642.db2.gz DMSJSCHJRVUDHC-ZIAGYGMSSA-N 2 0 262.397 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422909911 533422028 /nfs/dbraw/zinc/42/20/28/533422028.db2.gz PKMNIWXOKNNMPK-KMFMINBZSA-N 2 0 258.409 2.837 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422946871 533457241 /nfs/dbraw/zinc/45/72/41/533457241.db2.gz PNWRVGPMAQEHEV-YOEHRIQHSA-N 2 0 276.424 2.606 20 0 CFADRP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414877345 533424019 /nfs/dbraw/zinc/42/40/19/533424019.db2.gz MORGATWRVRVXGC-QMMMGPOBSA-N 2 0 277.195 2.686 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H](C)CCC[NH3+])CCC2)cc1 ZINC000423036769 533426701 /nfs/dbraw/zinc/42/67/01/533426701.db2.gz USOJVHJWWKNURM-CQSZACIVSA-N 2 0 276.424 2.834 20 0 CFADRP COc1ccc(C2CCC([NH2+]C[C@H](C)C[NH3+])CC2)cc1 ZINC000414878657 533430928 /nfs/dbraw/zinc/43/09/28/533430928.db2.gz OOGRPEQHUUQQNQ-VQCLRJIVSA-N 2 0 276.424 2.906 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000414825055 533440920 /nfs/dbraw/zinc/44/09/20/533440920.db2.gz RWEIHEVDHSAJGF-ZYHUDNBSSA-N 2 0 270.779 2.957 20 0 CFADRP COc1ccc(CCC[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422743236 533476501 /nfs/dbraw/zinc/47/65/01/533476501.db2.gz SXQHFIWNPGNCOT-CQSZACIVSA-N 2 0 264.413 2.735 20 0 CFADRP COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422796325 533572439 /nfs/dbraw/zinc/57/24/39/533572439.db2.gz YFNMFRWEVOZDDA-QWRGUYRKSA-N 2 0 254.349 2.612 20 0 CFADRP COc1cc(C)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c(C)n1 ZINC000415025660 533573240 /nfs/dbraw/zinc/57/32/40/533573240.db2.gz QQFCFLHIFRRSQJ-SHTZXODSSA-N 2 0 291.439 2.562 20 0 CFADRP COc1cc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414800563 533573953 /nfs/dbraw/zinc/57/39/53/533573953.db2.gz LCGXKCPDYCYLOB-UKRRQHHQSA-N 2 0 292.423 2.619 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414873976 533580357 /nfs/dbraw/zinc/58/03/57/533580357.db2.gz AHMNWHOJGUIYDP-JTQLQIEISA-N 2 0 253.415 2.628 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000422886998 533537631 /nfs/dbraw/zinc/53/76/31/533537631.db2.gz AKYWSAABEVEHQO-HOCLYGCPSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423124911 533537843 /nfs/dbraw/zinc/53/78/43/533537843.db2.gz MYRYHIXJWOACNC-STQMWFEESA-N 2 0 284.831 2.523 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000423118912 533540010 /nfs/dbraw/zinc/54/00/10/533540010.db2.gz CPBRZANFKMHKDH-WFASDCNBSA-N 2 0 284.831 2.871 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c(OC)c1 ZINC000414672676 533541032 /nfs/dbraw/zinc/54/10/32/533541032.db2.gz BFFATNBKRZIAON-KGLIPLIRSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000422805035 533541316 /nfs/dbraw/zinc/54/13/16/533541316.db2.gz LMQMRWSUSQQDBG-FUHWJXTLSA-N 2 0 289.467 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1C[NH2+]C1 ZINC000423096549 533549975 /nfs/dbraw/zinc/54/99/75/533549975.db2.gz PFZFERMBIKEBOY-IXPVHAAZSA-N 2 0 264.800 2.784 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000423095461 533550151 /nfs/dbraw/zinc/55/01/51/533550151.db2.gz MLDWWBRKPJQUAG-DDFXLWFNSA-N 2 0 280.362 2.798 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCSCc1ccccc1F ZINC000422754888 533553509 /nfs/dbraw/zinc/55/35/09/533553509.db2.gz BACFQAXJSOPULA-LBPRGKRZSA-N 2 0 270.417 2.776 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423080744 533553922 /nfs/dbraw/zinc/55/39/22/533553922.db2.gz AIGRLQCWYZDDOQ-HOTGVXAUSA-N 2 0 275.440 2.620 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422704433 533554522 /nfs/dbraw/zinc/55/45/22/533554522.db2.gz PQSNGBGVNBCJSY-KBPBESRZSA-N 2 0 289.423 2.591 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422968052 533554736 /nfs/dbraw/zinc/55/47/36/533554736.db2.gz VFBZJQXRRLHWET-ZDUSSCGKSA-N 2 0 277.412 2.620 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414901764 533607018 /nfs/dbraw/zinc/60/70/18/533607018.db2.gz GUUGFNHMEBUHGW-JFIYKMOQSA-N 2 0 293.499 2.761 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000422866127 533613253 /nfs/dbraw/zinc/61/32/53/533613253.db2.gz PWAJTFCWVHMJMS-AGIUHOORSA-N 2 0 280.412 2.789 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000191517360 130248136 /nfs/dbraw/zinc/24/81/36/130248136.db2.gz UNGREFLYCRHBRL-WBMJQRKESA-N 2 0 282.378 2.827 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000191643423 130269924 /nfs/dbraw/zinc/26/99/24/130269924.db2.gz HLXOCVGKINBGEO-SOUVJXGZSA-N 2 0 294.439 2.701 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)C[C@H]21 ZINC000342113953 130271431 /nfs/dbraw/zinc/27/14/31/130271431.db2.gz WKJKULYXDFUGGB-NWANDNLSSA-N 2 0 296.361 2.847 20 0 CFADRP [NH3+]C1(C[NH2+]CCSc2ccc(Cl)cc2)CCC1 ZINC000342134383 130293396 /nfs/dbraw/zinc/29/33/96/130293396.db2.gz KBLLHURGOQQPEH-UHFFFAOYSA-N 2 0 270.829 2.903 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000355904418 130350710 /nfs/dbraw/zinc/35/07/10/130350710.db2.gz FDIZOLJBEDKDBX-KRWDZBQOSA-N 2 0 295.515 2.911 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000192096812 130369759 /nfs/dbraw/zinc/36/97/59/130369759.db2.gz LJZMRFXPKPZEIL-UONOGXRCSA-N 2 0 289.423 2.594 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422881569 533671707 /nfs/dbraw/zinc/67/17/07/533671707.db2.gz YYLFIBCRNRWDNG-ZDUSSCGKSA-N 2 0 250.386 2.611 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000360041441 130580556 /nfs/dbraw/zinc/58/05/56/130580556.db2.gz QKDLDKGRDCQIDD-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237051079 131000391 /nfs/dbraw/zinc/00/03/91/131000391.db2.gz XUCZPDXHXLLULZ-CABCVRRESA-N 2 0 289.423 2.513 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000237046349 131000617 /nfs/dbraw/zinc/00/06/17/131000617.db2.gz SAQODZAMLXKMLR-INIZCTEOSA-N 2 0 289.423 2.614 20 0 CFADRP Cn1cncc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000237936210 131067700 /nfs/dbraw/zinc/06/77/00/131067700.db2.gz HRKJDNXZQYXRKS-UHFFFAOYSA-N 2 0 298.434 2.696 20 0 CFADRP Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccn1 ZINC000245609616 131087248 /nfs/dbraw/zinc/08/72/48/131087248.db2.gz NVHBTAWWMQNINH-TZMCWYRMSA-N 2 0 290.411 2.632 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251186687 131128481 /nfs/dbraw/zinc/12/84/81/131128481.db2.gz XZWYHAIITXFUEZ-SJORKVTESA-N 2 0 258.409 2.754 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)cc2)C1 ZINC000252439836 131134731 /nfs/dbraw/zinc/13/47/31/131134731.db2.gz TWTDWSAAQIKFFM-GDBMZVCRSA-N 2 0 276.424 2.558 20 0 CFADRP Fc1ccc(F)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252673742 131135864 /nfs/dbraw/zinc/13/58/64/131135864.db2.gz LSFPXJGQHUKXLH-KGLIPLIRSA-N 2 0 266.335 2.681 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC2C[NH2+]C2)C2CCCCC2)cc1 ZINC000423309363 285478617 /nfs/dbraw/zinc/47/86/17/285478617.db2.gz ZGSDJDOXAVSCDG-GOSISDBHSA-N 2 0 272.436 2.987 20 0 CFADRP c1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423209702 285478668 /nfs/dbraw/zinc/47/86/68/285478668.db2.gz JILVEWQLTGDDFZ-DOTOQJQBSA-N 2 0 258.409 2.597 20 0 CFADRP c1ccc2c(c1)CCCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335499638 285500529 /nfs/dbraw/zinc/50/05/29/285500529.db2.gz IOGNVALNJPEODU-QGZVFWFLSA-N 2 0 256.393 2.963 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423543546 285500544 /nfs/dbraw/zinc/50/05/44/285500544.db2.gz HPFFAPCWBBEDFA-JENIJYKNSA-N 2 0 284.447 2.912 20 0 CFADRP CCC(C)(C)[NH+](C)CC(O)C[N@@H+](C)C(C)(C)CC ZINC000683667796 542708177 /nfs/dbraw/zinc/70/81/77/542708177.db2.gz IIBUAKQNDRWETC-UHFFFAOYSA-N 2 0 258.450 2.588 20 0 CFADRP Cn1nc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000683706650 542713380 /nfs/dbraw/zinc/71/33/80/542713380.db2.gz NLIFXZBYTYFSQH-UHFFFAOYSA-N 2 0 298.434 2.537 20 0 CFADRP COCCC[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000268709580 132053372 /nfs/dbraw/zinc/05/33/72/132053372.db2.gz DFOMXNJXPVEMKI-MRXNPFEDSA-N 2 0 278.440 2.913 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)C1 ZINC000268746845 132060620 /nfs/dbraw/zinc/06/06/20/132060620.db2.gz AWHCDPZLGSZUAG-KGLIPLIRSA-N 2 0 274.408 2.709 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000268769226 132062579 /nfs/dbraw/zinc/06/25/79/132062579.db2.gz RXIUMTOEMMXHBL-VNQPRFMTSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000268786876 132066046 /nfs/dbraw/zinc/06/60/46/132066046.db2.gz DBSSFMIHZPKZQU-WWGRRREGSA-N 2 0 280.387 2.523 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000268859727 132078589 /nfs/dbraw/zinc/07/85/89/132078589.db2.gz JBUPTUOPWJKNBI-GJZGRUSLSA-N 2 0 294.439 2.530 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)COC2 ZINC000268864942 132079314 /nfs/dbraw/zinc/07/93/14/132079314.db2.gz ZPUMRUXSIXNJCJ-KBPBESRZSA-N 2 0 286.419 2.852 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000268873945 132081460 /nfs/dbraw/zinc/08/14/60/132081460.db2.gz DIWPZMLOKDNPGH-ZFWWWQNUSA-N 2 0 292.423 2.839 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000269053335 132104679 /nfs/dbraw/zinc/10/46/79/132104679.db2.gz WIGLAGKOBJOQOV-CABCVRRESA-N 2 0 286.423 2.863 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000683897875 542738499 /nfs/dbraw/zinc/73/84/99/542738499.db2.gz DFDQIJHHAFOMKC-UHFFFAOYSA-N 2 0 277.412 2.599 20 0 CFADRP CC[C@H]1CCCCN1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000164887124 542738643 /nfs/dbraw/zinc/73/86/43/542738643.db2.gz LBPFGVAPFOIROJ-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP OC1CC[NH+](Cc2ccccc2CNc2ccccn2)CC1 ZINC000269368248 132161284 /nfs/dbraw/zinc/16/12/84/132161284.db2.gz RKCPWLFUEQYGPP-UHFFFAOYSA-N 2 0 297.402 2.650 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683929900 542746577 /nfs/dbraw/zinc/74/65/77/542746577.db2.gz XWOQUVLOPPAQEY-MRXNPFEDSA-N 2 0 289.423 2.614 20 0 CFADRP CCCCO[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976985 393451072 /nfs/dbraw/zinc/45/10/72/393451072.db2.gz WIAINPNRNGKAJF-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000373241738 393464514 /nfs/dbraw/zinc/46/45/14/393464514.db2.gz XWLXOJHBQQNXFU-UPILFSCHSA-N 2 0 294.483 2.946 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000181746986 393500053 /nfs/dbraw/zinc/50/00/53/393500053.db2.gz CGDCFJFIQJDJSJ-ZACQAIPSSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305179330 393500010 /nfs/dbraw/zinc/50/00/10/393500010.db2.gz VYWORYQGCHZRDT-OWCLPIDISA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)COCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375597301 393508540 /nfs/dbraw/zinc/50/85/40/393508540.db2.gz KGVZIQCFBGMFDG-DOTOQJQBSA-N 2 0 280.456 2.608 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000378523032 393546983 /nfs/dbraw/zinc/54/69/83/393546983.db2.gz ZBDWTSPIXZFNCR-BHYGNILZSA-N 2 0 276.424 2.694 20 0 CFADRP C(C[NH+]1CCCC2(CC2)C1)OCC[N@@H+]1CCCC2(CC2)C1 ZINC000186996854 393550499 /nfs/dbraw/zinc/55/04/99/393550499.db2.gz ZZKRBLKCEMCJSW-UHFFFAOYSA-N 2 0 292.467 2.755 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000684394964 542800139 /nfs/dbraw/zinc/80/01/39/542800139.db2.gz RADHJEIMGBCWKM-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000684405089 542801503 /nfs/dbraw/zinc/80/15/03/542801503.db2.gz LOBHRYUJCMPPFJ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]1C[N@H+](CCCCC2CCOCC2)CC[C@H]1[NH3+] ZINC000382101434 393569810 /nfs/dbraw/zinc/56/98/10/393569810.db2.gz LFVVJZDGVMCXEL-JKSUJKDBSA-N 2 0 268.445 2.643 20 0 CFADRP C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCCC1 ZINC000394544773 393596045 /nfs/dbraw/zinc/59/60/45/393596045.db2.gz WWOOOIFVVIDPEA-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP CCCN(CCC[NH+](C)C)C(=O)Nc1ccncc1C ZINC000191592272 393599418 /nfs/dbraw/zinc/59/94/18/393599418.db2.gz CGQRAAPKFDXIQM-UHFFFAOYSA-N 2 0 278.400 2.586 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401000741 393602650 /nfs/dbraw/zinc/60/26/50/393602650.db2.gz MMVQODFHDITLDZ-XJFOESAGSA-N 2 0 264.438 2.657 20 0 CFADRP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000191809483 393606864 /nfs/dbraw/zinc/60/68/64/393606864.db2.gz WXDQIBKLGCLGFE-HNNXBMFYSA-N 2 0 278.440 2.987 20 0 CFADRP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000385424312 393584414 /nfs/dbraw/zinc/58/44/14/393584414.db2.gz BXKQLKPGQHCHPX-GOEBONIOSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000190916575 393584664 /nfs/dbraw/zinc/58/46/64/393584664.db2.gz WDTHEQYKISIRLH-XOSAIJSUSA-N 2 0 278.440 2.503 20 0 CFADRP Brc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCC2 ZINC000335553099 393678156 /nfs/dbraw/zinc/67/81/56/393678156.db2.gz UXVKUGYNBXFCFG-CQSZACIVSA-N 2 0 295.224 2.636 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403377928 393613012 /nfs/dbraw/zinc/61/30/12/393613012.db2.gz PPXPWWPVJUIVKZ-QLFBSQMISA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H]1COCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000192131560 393614067 /nfs/dbraw/zinc/61/40/67/393614067.db2.gz NSZUUBYAQLUDFY-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335030153 393635227 /nfs/dbraw/zinc/63/52/27/393635227.db2.gz RFIUVCILWYINCN-DNDXXGFKSA-N 3 0 273.424 2.594 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000335024056 393635389 /nfs/dbraw/zinc/63/53/89/393635389.db2.gz UYZFVOARBPVJCZ-WCQYABFASA-N 2 0 260.372 2.790 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(F)c2)[C@H](C)C1 ZINC000081096430 393731402 /nfs/dbraw/zinc/73/14/02/393731402.db2.gz JJZMIOYQTKRBSR-RHSMWYFYSA-N 2 0 294.414 2.867 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC23CC[NH+](C)CC3)CCO1 ZINC000336413357 393733831 /nfs/dbraw/zinc/73/38/31/393733831.db2.gz RUQLQGGSYPHEFM-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195437125 393740318 /nfs/dbraw/zinc/74/03/18/393740318.db2.gz LGYBIPISVATHBX-UHFFFAOYSA-N 2 0 284.831 2.706 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H](C)CO ZINC000411771868 393746679 /nfs/dbraw/zinc/74/66/79/393746679.db2.gz QWIXHOLVTQYQQZ-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)C(C)(C)C)C2)CC1 ZINC000336846401 393752062 /nfs/dbraw/zinc/75/20/62/393752062.db2.gz OARCEOJUXYOVHH-IRXDYDNUSA-N 2 0 296.499 2.837 20 0 CFADRP Oc1cccc2c(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000684568038 542827936 /nfs/dbraw/zinc/82/79/36/542827936.db2.gz BRRAZROHVMBWKX-LBPRGKRZSA-N 2 0 283.375 2.837 20 0 CFADRP c1ncc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000411393724 393707312 /nfs/dbraw/zinc/70/73/12/393707312.db2.gz AQPZMCVYJMMCGF-CZUORRHYSA-N 2 0 291.464 2.634 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000335917545 393707599 /nfs/dbraw/zinc/70/75/99/393707599.db2.gz STTRVXHJFZQVKV-TZMCWYRMSA-N 2 0 274.408 2.569 20 0 CFADRP Cc1cc(C)c([C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000088244150 393760991 /nfs/dbraw/zinc/76/09/91/393760991.db2.gz NYJAHOBGKZWWAP-HRCADAONSA-N 2 0 258.409 2.824 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000245886997 393833690 /nfs/dbraw/zinc/83/36/90/393833690.db2.gz PBHJWOVHLFYYLW-BZUAXINKSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(OCC[NH+](C)C)c1 ZINC000424334076 393834212 /nfs/dbraw/zinc/83/42/12/393834212.db2.gz YLVBVYGTCCSCMW-CJNGLKHVSA-N 2 0 274.408 2.830 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227054702 393771706 /nfs/dbraw/zinc/77/17/06/393771706.db2.gz MWGCYRJQHALMGT-BBRMVZONSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000090724391 393780716 /nfs/dbraw/zinc/78/07/16/393780716.db2.gz PVBWSFWZCIJRBQ-VNHYZAJKSA-N 2 0 250.430 2.885 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000234750895 393783610 /nfs/dbraw/zinc/78/36/10/393783610.db2.gz QKPWODYRWMOBKB-TZMCWYRMSA-N 2 0 282.453 2.813 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCn2cccn2)C[C@@H]1c1ccccc1 ZINC000340174272 393836841 /nfs/dbraw/zinc/83/68/41/393836841.db2.gz NXULTTYYAOLXMH-QZTJIDSGSA-N 2 0 298.434 2.698 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H](C)O1 ZINC000414260576 393798132 /nfs/dbraw/zinc/79/81/32/393798132.db2.gz GIDXOEVUNHNOEV-HZSPNIEDSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)COCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093513541 393801105 /nfs/dbraw/zinc/80/11/05/393801105.db2.gz XLRCKNGIKUVEGE-HZPDHXFCSA-N 2 0 270.461 2.950 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000424231915 393801933 /nfs/dbraw/zinc/80/19/33/393801933.db2.gz CPVAODQNSSZHPO-UHFFFAOYSA-N 2 0 289.423 2.692 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245412489 393802058 /nfs/dbraw/zinc/80/20/58/393802058.db2.gz ARMBJKZTTVILPY-YOEHRIQHSA-N 2 0 294.414 2.867 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@@H]1CCCCO1 ZINC000414703884 393802442 /nfs/dbraw/zinc/80/24/42/393802442.db2.gz VVNKKFKCAHQONS-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)[C@@H]1CCC[NH2+]C1 ZINC000414865081 393806668 /nfs/dbraw/zinc/80/66/68/393806668.db2.gz YWLGYWFSSFYUAR-GHJWDPDVSA-N 2 0 278.827 2.785 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414953225 393808084 /nfs/dbraw/zinc/80/80/84/393808084.db2.gz JIZBSKVDFGPPGQ-MXWKQRLJSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000414918770 393808101 /nfs/dbraw/zinc/80/81/01/393808101.db2.gz SUWJZCOYJWFIKF-NJAFHUGGSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[NH2+][C@@H](C)C3)CC2)C1 ZINC000414944006 393808227 /nfs/dbraw/zinc/80/82/27/393808227.db2.gz GCMFEWMSDMRXBN-FZCLSBEQSA-N 2 0 293.499 2.760 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414893063 393808398 /nfs/dbraw/zinc/80/83/98/393808398.db2.gz QYSOKOCMITVEDH-BXUZGUMPSA-N 2 0 264.438 2.666 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000414984970 393809312 /nfs/dbraw/zinc/80/93/12/393809312.db2.gz HEERJTFSXYEWIT-STQMWFEESA-N 2 0 271.408 2.661 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000415024729 393810425 /nfs/dbraw/zinc/81/04/25/393810425.db2.gz ODLBCULRNFTIHG-SDADXPQNSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415053408 393811310 /nfs/dbraw/zinc/81/13/10/393811310.db2.gz JSYYXEPUIYIWLQ-HJWJTTGWSA-N 2 0 258.409 2.918 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424283128 393813644 /nfs/dbraw/zinc/81/36/44/393813644.db2.gz ATGGRUVEUQYMFJ-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067983 393815117 /nfs/dbraw/zinc/81/51/17/393815117.db2.gz IUQIZWKQCMLVQA-FVQBIDKESA-N 2 0 274.408 2.540 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3N(C)CCCC3(C)C)C[C@H]2C1 ZINC000424347683 393838596 /nfs/dbraw/zinc/83/85/96/393838596.db2.gz KZIYXTCFJOABBL-NNXHMXCWSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245694101 393822491 /nfs/dbraw/zinc/82/24/91/393822491.db2.gz QPBJIEHDFQNPEO-WMLDXEAASA-N 2 0 258.409 2.918 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246392990 393865392 /nfs/dbraw/zinc/86/53/92/393865392.db2.gz BFHPTWXJUWHTII-FUHWJXTLSA-N 3 0 295.515 2.961 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)[C@@H](C)C1 ZINC000342735917 393869785 /nfs/dbraw/zinc/86/97/85/393869785.db2.gz PVSNUECPJDJKCQ-JYJNAYRXSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000248555403 393911115 /nfs/dbraw/zinc/91/11/15/393911115.db2.gz KLEQODVQCBLXDW-YVSFHVDLSA-N 2 0 280.456 2.797 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246577819 393875395 /nfs/dbraw/zinc/87/53/95/393875395.db2.gz VIYFBBSQGKIMGM-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000425404599 393878341 /nfs/dbraw/zinc/87/83/41/393878341.db2.gz LYVMTIJKAZIVSL-JFIYKMOQSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000459723580 393886098 /nfs/dbraw/zinc/88/60/98/393886098.db2.gz AERAQXHSHVCXRB-OAHLLOKOSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1n[nH]c2ccccc21)C[NH+](C)C ZINC000425944685 393886123 /nfs/dbraw/zinc/88/61/23/393886123.db2.gz NYTUBQWZVUNDQG-KBPBESRZSA-N 2 0 288.439 2.671 20 0 CFADRP COCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246832996 393886442 /nfs/dbraw/zinc/88/64/42/393886442.db2.gz OGUHWHZHLWFTSI-RDJZCZTQSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000246828056 393886637 /nfs/dbraw/zinc/88/66/37/393886637.db2.gz AHDVRNYAGQNZQA-YESZJQIVSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367368 393840148 /nfs/dbraw/zinc/84/01/48/393840148.db2.gz LQVIFNJLXJCJEA-MRVWCRGKSA-N 2 0 252.427 2.929 20 0 CFADRP CC(C)[NH2+]C1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000340283954 393841022 /nfs/dbraw/zinc/84/10/22/393841022.db2.gz CVSCLKMBJVXBFI-QGZVFWFLSA-N 2 0 281.488 2.712 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C12CCCC2 ZINC000424378173 393841705 /nfs/dbraw/zinc/84/17/05/393841705.db2.gz SKDIQGATYPXORS-KBXIAJHMSA-N 2 0 266.429 2.584 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424385527 393842825 /nfs/dbraw/zinc/84/28/25/393842825.db2.gz WHRGOCWCQCJHSS-SLBVQIDZSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1nccn1C ZINC000246018825 393842972 /nfs/dbraw/zinc/84/29/72/393842972.db2.gz JNCVSHJXHBOEMC-LSDHHAIUSA-N 2 0 278.444 2.583 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000424382128 393843080 /nfs/dbraw/zinc/84/30/80/393843080.db2.gz ZVWXLOFFHVPQPR-VDHUWJSZSA-N 2 0 287.451 2.509 20 0 CFADRP CC1(C)CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000246020237 393843649 /nfs/dbraw/zinc/84/36/49/393843649.db2.gz VCTHLAIROQMDMB-HIFRSBDPSA-N 2 0 279.472 2.512 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000340521567 393844666 /nfs/dbraw/zinc/84/46/66/393844666.db2.gz MIXLVQSEFJCCEK-JCYILVPMSA-N 2 0 290.455 2.514 20 0 CFADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[nH+]c2c(O)cccc12 ZINC000684577873 542831032 /nfs/dbraw/zinc/83/10/32/542831032.db2.gz ZUCUHIWFAOAEJM-CYBMUJFWSA-N 2 0 285.391 2.718 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(-c2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000416399100 393914914 /nfs/dbraw/zinc/91/49/14/393914914.db2.gz GKOGZJSQABQJPE-MFKMUULPSA-N 2 0 274.368 2.802 20 0 CFADRP CC(C)=CCC[C@H](C)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000684613698 542837169 /nfs/dbraw/zinc/83/71/69/542837169.db2.gz YEXDRKJWEDMQFZ-ARFHVFGLSA-N 2 0 250.430 2.910 20 0 CFADRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2[nH+]1 ZINC000261836782 393950574 /nfs/dbraw/zinc/95/05/74/393950574.db2.gz VDSHVWQNFYZGTI-KGLIPLIRSA-N 2 0 267.376 2.589 20 0 CFADRP OC[C@H](CC1CCCCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417363386 393951000 /nfs/dbraw/zinc/95/10/00/393951000.db2.gz KIGAOUHEWQQUHM-YESZJQIVSA-N 2 0 280.456 2.534 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCCOC(C)(C)C)C2)C1 ZINC000429015083 393933499 /nfs/dbraw/zinc/93/34/99/393933499.db2.gz WYTZHXMHIVVSRR-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP Fc1ccc(C[C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000346855650 393933740 /nfs/dbraw/zinc/93/37/40/393933740.db2.gz OMAIDKFJHWGHEA-DOTOQJQBSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[C@H]1C ZINC000252118359 393934420 /nfs/dbraw/zinc/93/44/20/393934420.db2.gz IYGSFOHXYOYFPV-CTASWTNQSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC[NH2+]C1 ZINC000261894771 393951331 /nfs/dbraw/zinc/95/13/31/393951331.db2.gz UTAWMAPXAHTNLM-IRXDYDNUSA-N 2 0 276.399 2.832 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188730 393940145 /nfs/dbraw/zinc/94/01/45/393940145.db2.gz KBDDPZARJCDKSE-YRGRVCCFSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000253284773 393941196 /nfs/dbraw/zinc/94/11/96/393941196.db2.gz NDTBZNYJBBEPFW-UMVBOHGHSA-N 2 0 276.449 2.806 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474462912 393943995 /nfs/dbraw/zinc/94/39/95/393943995.db2.gz WMDLHZAJXFWEER-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000474732409 393945353 /nfs/dbraw/zinc/94/53/53/393945353.db2.gz MUOYKPCIXVQXQX-KURKYZTESA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261583201 393948000 /nfs/dbraw/zinc/94/80/00/393948000.db2.gz HBSUFUCQHGFQFK-IAGOWNOFSA-N 2 0 258.409 2.851 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)O1 ZINC000249141215 393920526 /nfs/dbraw/zinc/92/05/26/393920526.db2.gz WDTHEQYKISIRLH-WTTBNOFXSA-N 2 0 278.440 2.503 20 0 CFADRP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000262107545 393952390 /nfs/dbraw/zinc/95/23/90/393952390.db2.gz WBUKWWQOFGUFFK-KFWWJZLASA-N 2 0 298.390 2.789 20 0 CFADRP CC[C@H](C)N(C)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000121248548 393952850 /nfs/dbraw/zinc/95/28/50/393952850.db2.gz DRTLSRPLQZDEOC-WMLDXEAASA-N 2 0 290.451 2.872 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@@](C)(O)C3)CC2)C1 ZINC000417411001 393958419 /nfs/dbraw/zinc/95/84/19/393958419.db2.gz WEDLLGAAALNRBG-QSPRXWTASA-N 2 0 280.456 2.533 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350047932 393975560 /nfs/dbraw/zinc/97/55/60/393975560.db2.gz GWACSQNYMKAQSF-AWEZNQCLSA-N 2 0 297.487 2.579 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H]2CCSC2)C1 ZINC000486978817 393977770 /nfs/dbraw/zinc/97/77/70/393977770.db2.gz HTJAHLQAZKKMQG-QLFBSQMISA-N 2 0 270.486 2.697 20 0 CFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000266746892 393983557 /nfs/dbraw/zinc/98/35/57/393983557.db2.gz BIDBNLKNTCSSIV-OAHLLOKOSA-N 2 0 296.842 2.837 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000271906070 394024828 /nfs/dbraw/zinc/02/48/28/394024828.db2.gz WRDCAVNPEBCDIP-HNNXBMFYSA-N 2 0 296.418 2.785 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000123645742 393985452 /nfs/dbraw/zinc/98/54/52/393985452.db2.gz DHQJVGXUOULVAD-RVKKMQEKSA-N 3 0 289.467 2.567 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000126345346 394025245 /nfs/dbraw/zinc/02/52/45/394025245.db2.gz VBEBSIYPJDFRRH-CYBMUJFWSA-N 2 0 279.453 2.760 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000487265964 393993073 /nfs/dbraw/zinc/99/30/73/393993073.db2.gz CBDMHVMQIITUOR-RCFWFJCLSA-N 2 0 273.424 2.805 20 0 CFADRP c1cc2ccc(C[NH2+]CCC[NH+]3CCCC3)cc2[nH]1 ZINC000124285381 393993272 /nfs/dbraw/zinc/99/32/72/393993272.db2.gz WGHCNDPELNMKFI-UHFFFAOYSA-N 2 0 257.381 2.743 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000430562356 393993766 /nfs/dbraw/zinc/99/37/66/393993766.db2.gz QUNHGYNJPGEKBF-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430584130 393996762 /nfs/dbraw/zinc/99/67/62/393996762.db2.gz OFXUBAFLHLZYCX-QGZVFWFLSA-N 2 0 294.439 2.817 20 0 CFADRP Cc1sc(NC(=O)CN(C)CC(C)(C)C[NH3+])c(C)c1C ZINC000430596988 393998353 /nfs/dbraw/zinc/99/83/53/393998353.db2.gz KPJVYUZVSDGBAB-UHFFFAOYSA-N 2 0 297.468 2.529 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOC1CCCC1 ZINC000125265531 394004735 /nfs/dbraw/zinc/00/47/35/394004735.db2.gz ALLBJIXBBGJXJI-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP COc1cc(C)nc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000270280090 394011286 /nfs/dbraw/zinc/01/12/86/394011286.db2.gz MGZMOVCQCONDCI-MRXNPFEDSA-N 2 0 291.439 2.705 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)N(CC)CC ZINC000353911835 394038383 /nfs/dbraw/zinc/03/83/83/394038383.db2.gz GOCHHKITYPBFIB-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000211953772 542874056 /nfs/dbraw/zinc/87/40/56/542874056.db2.gz BSLNJAFPSDLJIC-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354987673 394054074 /nfs/dbraw/zinc/05/40/74/394054074.db2.gz ILYYYJFRVAMUSX-WOPDTQHZSA-N 2 0 264.335 2.934 20 0 CFADRP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)[C@H]1CCCOC1 ZINC000355068177 394055881 /nfs/dbraw/zinc/05/58/81/394055881.db2.gz QDNLOYRZKNKDDL-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[NH+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)S1 ZINC000211954297 542874564 /nfs/dbraw/zinc/87/45/64/542874564.db2.gz XCZOHUAGKCIRGT-CHWSQXEVSA-N 2 0 276.449 2.658 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000279741930 394068196 /nfs/dbraw/zinc/06/81/96/394068196.db2.gz PBFZBOXXLCGJNC-YCPHGPKFSA-N 2 0 264.413 2.692 20 0 CFADRP CCCC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128417131 394069563 /nfs/dbraw/zinc/06/95/63/394069563.db2.gz QPNNJYOSEJLPPB-ROUUACIJSA-N 2 0 295.515 2.963 20 0 CFADRP CCOC[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000128640207 394073096 /nfs/dbraw/zinc/07/30/96/394073096.db2.gz RJIFFVDNIMUPSY-OAHLLOKOSA-N 2 0 264.413 2.523 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000437771505 394073970 /nfs/dbraw/zinc/07/39/70/394073970.db2.gz HJNUECRODYFLNX-UHFFFAOYSA-N 2 0 274.408 2.697 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000128715778 394075134 /nfs/dbraw/zinc/07/51/34/394075134.db2.gz MAAWPDYOVBHMHY-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCC[NH3+] ZINC000437793906 394076284 /nfs/dbraw/zinc/07/62/84/394076284.db2.gz BYTFOGXVOZJIOB-LLVKDONJSA-N 2 0 274.330 2.965 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358186068 394097322 /nfs/dbraw/zinc/09/73/22/394097322.db2.gz IHYIQAOHLHCTJL-UHOFOFEASA-N 2 0 296.842 2.957 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126650647 394033196 /nfs/dbraw/zinc/03/31/96/394033196.db2.gz RMONXBWCHVSGQJ-HNSVSWJLSA-N 2 0 268.445 2.797 20 0 CFADRP CO[C@H](C)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273032763 394033203 /nfs/dbraw/zinc/03/32/03/394033203.db2.gz UTSGVWLCOJQNLL-INMHGKMJSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCO1 ZINC000353671614 394034329 /nfs/dbraw/zinc/03/43/29/394034329.db2.gz LCXTZAPGTRNGQE-HHARLNAUSA-N 2 0 280.456 2.654 20 0 CFADRP CCc1cnc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000130244365 394106462 /nfs/dbraw/zinc/10/64/62/394106462.db2.gz UQDHKSUSCKEKJX-JSGCOSHPSA-N 2 0 281.469 2.568 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000130244131 394106619 /nfs/dbraw/zinc/10/66/19/394106619.db2.gz UQDHKSUSCKEKJX-GXTWGEPZSA-N 2 0 281.469 2.568 20 0 CFADRP C[NH2+]C[C@@H]1CCCN(Cc2ccc(Cl)cc2OC)C1 ZINC000420274965 394112962 /nfs/dbraw/zinc/11/29/62/394112962.db2.gz PMLWCFITRFDERV-LBPRGKRZSA-N 2 0 282.815 2.780 20 0 CFADRP c1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n2c1CCCC2 ZINC000282048699 394115864 /nfs/dbraw/zinc/11/58/64/394115864.db2.gz LZIIBZWLFRQPJL-INIZCTEOSA-N 2 0 296.418 2.994 20 0 CFADRP CCCN(C[C@@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000420326994 394116768 /nfs/dbraw/zinc/11/67/68/394116768.db2.gz YECDDHOKLTUEKZ-AEFFLSMTSA-N 2 0 289.467 2.710 20 0 CFADRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000420311920 394116791 /nfs/dbraw/zinc/11/67/91/394116791.db2.gz WHQZEJHVCZIKCZ-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP Fc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000359187489 394127058 /nfs/dbraw/zinc/12/70/58/394127058.db2.gz JKERLSGHLGPIQO-QGZVFWFLSA-N 2 0 292.398 2.589 20 0 CFADRP CC[C@@H](F)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000440701189 394135437 /nfs/dbraw/zinc/13/54/37/394135437.db2.gz JLBBMPZFLZDRRJ-IJEWVQPXSA-N 2 0 286.435 2.556 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCN(C)c2ccccc2)[C@H](C)C1 ZINC000131898653 394143399 /nfs/dbraw/zinc/14/33/99/394143399.db2.gz UCIPZNFCEZSQQC-SJLPKXTDSA-N 2 0 289.467 2.785 20 0 CFADRP CO[C@@]1(C)C[C@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000446952306 394150172 /nfs/dbraw/zinc/15/01/72/394150172.db2.gz NAAZUJSRHCTHJM-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccnc([C@@H](C)NC2CC[NH+](C3CC3)CC2)c1 ZINC000285822631 394150788 /nfs/dbraw/zinc/15/07/88/394150788.db2.gz WLZHPEWAISFMJI-CYBMUJFWSA-N 2 0 259.397 2.667 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000447568817 394152519 /nfs/dbraw/zinc/15/25/19/394152519.db2.gz MTNLBHOUNCBXIU-HOTGVXAUSA-N 2 0 280.456 2.654 20 0 CFADRP COC[C@H](C)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000132958866 394166168 /nfs/dbraw/zinc/16/61/68/394166168.db2.gz UYYQBGKFHUAGJF-MRXNPFEDSA-N 2 0 290.451 2.865 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000361237639 394168614 /nfs/dbraw/zinc/16/86/14/394168614.db2.gz PPCNTUDGNJRYHB-FXUDXRNXSA-N 2 0 280.456 2.795 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000361237641 394168627 /nfs/dbraw/zinc/16/86/27/394168627.db2.gz PPCNTUDGNJRYHB-XUWVNRHRSA-N 2 0 280.456 2.795 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000361240009 394169796 /nfs/dbraw/zinc/16/97/96/394169796.db2.gz ZLDQYDDWNRWRGU-KGLIPLIRSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000361525553 394174436 /nfs/dbraw/zinc/17/44/36/394174436.db2.gz NTQRXAFKXUOIGG-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285982063 394175840 /nfs/dbraw/zinc/17/58/40/394175840.db2.gz MCRXORGXJMQYRM-GOSISDBHSA-N 2 0 290.451 2.774 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000421367616 394203899 /nfs/dbraw/zinc/20/38/99/394203899.db2.gz FFCWAFLDWFJVSC-LMPOIIKSSA-N 2 0 268.445 2.654 20 0 CFADRP CCSCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134913289 394206036 /nfs/dbraw/zinc/20/60/36/394206036.db2.gz AVAHQOHWYYJSFL-UKRRQHHQSA-N 2 0 268.470 2.688 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000422812839 394256400 /nfs/dbraw/zinc/25/64/00/394256400.db2.gz XBQCHDLOTSGKAH-OLZOCXBDSA-N 2 0 286.423 2.516 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000421376446 394208644 /nfs/dbraw/zinc/20/86/44/394208644.db2.gz HBNVMUXJNWVEGN-NVXWUHKLSA-N 2 0 289.423 2.598 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(Cc2ccsc2)CC1 ZINC000364454161 394215644 /nfs/dbraw/zinc/21/56/44/394215644.db2.gz CVRAUGFPUXLDQS-OLZOCXBDSA-N 2 0 282.453 2.726 20 0 CFADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC000449124664 394221302 /nfs/dbraw/zinc/22/13/02/394221302.db2.gz QLRMOHHKSZQKLI-IRXDYDNUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449130754 394223293 /nfs/dbraw/zinc/22/32/93/394223293.db2.gz HQDUOVSMHCBTMI-WMZOPIPTSA-N 2 0 295.515 2.818 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449131137 394223745 /nfs/dbraw/zinc/22/37/45/394223745.db2.gz KHXXJCZVWXWHBD-KRWDZBQOSA-N 2 0 293.499 2.572 20 0 CFADRP C(C[NH2+]C1CCC2(CCCO2)CC1)C[NH+]1CCCCC1 ZINC000364806757 394224260 /nfs/dbraw/zinc/22/42/60/394224260.db2.gz WFWJKLLRPPNXCD-UHFFFAOYSA-N 2 0 280.456 2.944 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449133465 394224685 /nfs/dbraw/zinc/22/46/85/394224685.db2.gz YOJSIMMRKQSKIY-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[C@H]1OC ZINC000422942849 394258832 /nfs/dbraw/zinc/25/88/32/394258832.db2.gz QGPLHYQLPXTZGL-GBJTYRQASA-N 2 0 268.445 2.830 20 0 CFADRP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000421820362 394243750 /nfs/dbraw/zinc/24/37/50/394243750.db2.gz MBOXODUTQWPETG-KKUMJFAQSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H](C)O1 ZINC000449181268 394244609 /nfs/dbraw/zinc/24/46/09/394244609.db2.gz GFWHEQNUUTWWNS-WWGRRREGSA-N 2 0 266.429 2.549 20 0 CFADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CC1 ZINC000422924574 394259080 /nfs/dbraw/zinc/25/90/80/394259080.db2.gz ZAUIPAXIEQDOKS-WBVHZDCISA-N 2 0 272.392 2.632 20 0 CFADRP C1[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[C@@H]1C1CCCCC1 ZINC000422927280 394259243 /nfs/dbraw/zinc/25/92/43/394259243.db2.gz YOPDWZSHVIBXPI-TZNCUMHOSA-N 2 0 292.467 2.702 20 0 CFADRP Cc1cnc(C[NH2+]C2CCC(C[NH+](C)C)CC2)s1 ZINC000449214525 394253721 /nfs/dbraw/zinc/25/37/21/394253721.db2.gz YLYXFABQCJOQQD-UHFFFAOYSA-N 2 0 267.442 2.662 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422749869 394254087 /nfs/dbraw/zinc/25/40/87/394254087.db2.gz BFTVRFUIZPOOMD-KCXAZCMYSA-N 2 0 262.397 2.926 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000151083845 394259850 /nfs/dbraw/zinc/25/98/50/394259850.db2.gz IOXUGYIRQSXNPK-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423016937 394261228 /nfs/dbraw/zinc/26/12/28/394261228.db2.gz UYSKMRUFYFZBLK-RKLWJJNISA-N 2 0 295.858 2.801 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(C)c1F ZINC000449235551 394261575 /nfs/dbraw/zinc/26/15/75/394261575.db2.gz GRKLPGXYVKEHIU-UHFFFAOYSA-N 2 0 282.403 2.582 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000423072378 394263524 /nfs/dbraw/zinc/26/35/24/394263524.db2.gz HBFZGTORVYRYKA-UTUOFQBUSA-N 2 0 270.804 2.823 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423075584 394263988 /nfs/dbraw/zinc/26/39/88/394263988.db2.gz OVRAIONPHLWWKD-HBNTYKKESA-N 2 0 252.324 2.838 20 0 CFADRP C[C@H](CNCc1ccc(Br)s1)C[NH+](C)C ZINC000291810097 394264349 /nfs/dbraw/zinc/26/43/49/394264349.db2.gz YDYJXELSEMUBCB-SECBINFHSA-N 2 0 291.258 2.798 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000449243108 394264935 /nfs/dbraw/zinc/26/49/35/394264935.db2.gz IHBFHXUEEBZUKY-AWEZNQCLSA-N 2 0 264.413 2.922 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423083940 394267288 /nfs/dbraw/zinc/26/72/88/394267288.db2.gz GORPNNYOYKHATJ-HNNXBMFYSA-N 2 0 275.440 2.620 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000152026609 394268254 /nfs/dbraw/zinc/26/82/54/394268254.db2.gz CVJZKIHAZQAWRK-XIRDDKMYSA-N 2 0 276.424 2.573 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H](C)C[C@@H](C)[NH3+])c1C ZINC000423089867 394268364 /nfs/dbraw/zinc/26/83/64/394268364.db2.gz TYCCHNATHYTDFP-ZIAGYGMSSA-N 2 0 264.413 2.788 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423091125 394269184 /nfs/dbraw/zinc/26/91/84/394269184.db2.gz ZLGPIYJHKXAXJD-GJZGRUSLSA-N 2 0 275.440 2.618 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000423165860 394272221 /nfs/dbraw/zinc/27/22/21/394272221.db2.gz BKOFAICUWNWWFO-JZAWBGDQSA-N 2 0 292.467 2.844 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423173749 394272864 /nfs/dbraw/zinc/27/28/64/394272864.db2.gz ZYVFJHCWCIXGOJ-UGUYLWEFSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423226977 394273958 /nfs/dbraw/zinc/27/39/58/394273958.db2.gz TUMHRNRRXRQLAM-CMPLNLGQSA-N 2 0 297.240 2.633 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423253676 394274956 /nfs/dbraw/zinc/27/49/56/394274956.db2.gz ZHUIQNZOPZUYKK-JQFCIGGWSA-N 2 0 275.440 2.540 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423250960 394275114 /nfs/dbraw/zinc/27/51/14/394275114.db2.gz RHKKUJNMYOYDHV-WBMJQRKESA-N 2 0 262.372 2.792 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+]CC([NH3+])(CC)CC)CC1 ZINC000423282637 394275998 /nfs/dbraw/zinc/27/59/98/394275998.db2.gz CZTYNPJTTQOOIU-UHFFFAOYSA-N 2 0 284.444 2.606 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C12CCCC2 ZINC000423334771 394278025 /nfs/dbraw/zinc/27/80/25/394278025.db2.gz REFBABFKFLVWTI-GJZGRUSLSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@](C)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)OC ZINC000449479473 394278309 /nfs/dbraw/zinc/27/83/09/394278309.db2.gz VCSWFDINXNQWKB-MRXNPFEDSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C[NH+](C)C ZINC000293387572 394283088 /nfs/dbraw/zinc/28/30/88/394283088.db2.gz IRTBQBNGETVVGS-XJKSGUPXSA-N 2 0 261.413 2.710 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423510118 394286080 /nfs/dbraw/zinc/28/60/80/394286080.db2.gz SDAKNNLLVPFBGE-CVEARBPZSA-N 2 0 292.398 2.929 20 0 CFADRP CC(C)(O)C[N@@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000370424974 394286883 /nfs/dbraw/zinc/28/68/83/394286883.db2.gz ZXAZQCZNISFLGR-UHFFFAOYSA-N 2 0 299.418 2.518 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C12CCCCC2 ZINC000423515750 394287302 /nfs/dbraw/zinc/28/73/02/394287302.db2.gz SXTUQAJIVHDLSV-LVQVYYBASA-N 2 0 280.456 2.831 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1C ZINC000423515559 394287358 /nfs/dbraw/zinc/28/73/58/394287358.db2.gz AFLNKHLBDTUINL-XXWFCPLBSA-N 2 0 262.441 2.774 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000423518661 394288062 /nfs/dbraw/zinc/28/80/62/394288062.db2.gz VCHBXLFCVOXAPK-MELADBBJSA-N 2 0 262.397 2.782 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000423516981 394288085 /nfs/dbraw/zinc/28/80/85/394288085.db2.gz UHWXKDWZHNSTBA-HFTRVMKXSA-N 2 0 281.403 2.888 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423516919 394288249 /nfs/dbraw/zinc/28/82/49/394288249.db2.gz UFVLQCTYIIKHEB-GMXABZIVSA-N 2 0 278.371 2.539 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CCS2 ZINC000423524587 394290501 /nfs/dbraw/zinc/29/05/01/394290501.db2.gz ZRBMWQJTHOCFIO-YWPYICTPSA-N 2 0 292.448 2.949 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000153752613 394291259 /nfs/dbraw/zinc/29/12/59/394291259.db2.gz YAGSOQWHKSTJBI-MRXNPFEDSA-N 2 0 278.440 2.922 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423531294 394292391 /nfs/dbraw/zinc/29/23/91/394292391.db2.gz SHXSONPSUSSHAX-QGZVFWFLSA-N 2 0 274.408 2.804 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000423532859 394292425 /nfs/dbraw/zinc/29/24/25/394292425.db2.gz WBLBUSAPYNFTOB-CYBMUJFWSA-N 2 0 292.423 2.805 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000370837513 394292498 /nfs/dbraw/zinc/29/24/98/394292498.db2.gz HLFZDAXLPGCEDM-AWEZNQCLSA-N 2 0 267.376 2.909 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536383 394292986 /nfs/dbraw/zinc/29/29/86/394292986.db2.gz HPLIISWHULAUOB-HNNXBMFYSA-N 2 0 278.346 2.852 20 0 CFADRP Fc1ccc(F)c2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538913 394294019 /nfs/dbraw/zinc/29/40/19/394294019.db2.gz HGWMOZNXQCCZIU-LGSVPQMISA-N 2 0 292.373 2.930 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000423538295 394294262 /nfs/dbraw/zinc/29/42/62/394294262.db2.gz FYZVYRNMKLEMBR-DZUCGIPZSA-N 2 0 273.424 2.901 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547157 394295630 /nfs/dbraw/zinc/29/56/30/394295630.db2.gz FURJJWNUECQGKJ-INIZCTEOSA-N 2 0 260.356 2.712 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423547178 394295789 /nfs/dbraw/zinc/29/57/89/394295789.db2.gz FVZPOEAODPSWNS-GDBMZVCRSA-N 2 0 261.413 2.525 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154380738 394296731 /nfs/dbraw/zinc/29/67/31/394296731.db2.gz SANXQPIXTOMNKY-HNNXBMFYSA-N 2 0 295.496 2.735 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423569244 394297733 /nfs/dbraw/zinc/29/77/33/394297733.db2.gz VYIRPILIBRYUIA-CYBMUJFWSA-N 2 0 290.407 2.664 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423563202 394298242 /nfs/dbraw/zinc/29/82/42/394298242.db2.gz RCYNVAINVFVUAM-MRXNPFEDSA-N 2 0 262.372 2.935 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423563899 394298280 /nfs/dbraw/zinc/29/82/80/394298280.db2.gz RRPKDFORNFNMAX-INIZCTEOSA-N 2 0 262.372 2.935 20 0 CFADRP CC(C)C[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450650544 394309579 /nfs/dbraw/zinc/30/95/79/394309579.db2.gz KIHSSIKUCJHXFK-CVEARBPZSA-N 2 0 281.488 2.521 20 0 CFADRP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000423706999 394311564 /nfs/dbraw/zinc/31/15/64/394311564.db2.gz RQTUMJJLBGOHDP-UHFFFAOYSA-N 2 0 295.386 2.604 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC000155821071 394323764 /nfs/dbraw/zinc/32/37/64/394323764.db2.gz USZRBKFJHVRMGC-IAGOWNOFSA-N 2 0 283.504 2.815 20 0 CFADRP CCc1ccc2[nH+]ccc(N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2c1 ZINC000450779990 394340409 /nfs/dbraw/zinc/34/04/09/394340409.db2.gz PBCAVDVEZRQYRR-KBXCAEBGSA-N 2 0 281.403 2.938 20 0 CFADRP COCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000156978591 394340917 /nfs/dbraw/zinc/34/09/17/394340917.db2.gz OLVDYRKIILOZJD-DOTOQJQBSA-N 2 0 276.424 2.618 20 0 CFADRP CCc1cc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)on1 ZINC000451068864 394354206 /nfs/dbraw/zinc/35/42/06/394354206.db2.gz JMUCVKANQWZXHI-KRWDZBQOSA-N 2 0 291.439 2.587 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000158200649 394355582 /nfs/dbraw/zinc/35/55/82/394355582.db2.gz KQSRRCCYMNUWPN-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@@H](C)C1 ZINC000453376785 394392122 /nfs/dbraw/zinc/39/21/22/394392122.db2.gz UXCYMFKTYOEMNP-LEUOFYLZSA-N 2 0 294.483 2.759 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000453376717 394392183 /nfs/dbraw/zinc/39/21/83/394392183.db2.gz YTHDAVHYBQPLTO-JJRVBVJISA-N 2 0 278.415 2.995 20 0 CFADRP F[C@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](F)C3)cc2)C1 ZINC000451198365 394368104 /nfs/dbraw/zinc/36/81/04/394368104.db2.gz PHXHARHZQFAXJE-HOTGVXAUSA-N 2 0 280.362 2.774 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527632747 394392916 /nfs/dbraw/zinc/39/29/16/394392916.db2.gz VNAXOQDCZMZNDK-KCXAZCMYSA-N 2 0 250.430 2.883 20 0 CFADRP CC(C)c1[nH+]c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c2ccccn21 ZINC000519647913 394373653 /nfs/dbraw/zinc/37/36/53/394373653.db2.gz HMOQRLQQLDZNPJ-LSDHHAIUSA-N 2 0 298.434 2.642 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)no1 ZINC000453387082 394394488 /nfs/dbraw/zinc/39/44/88/394394488.db2.gz AVEINYFPMWZXQD-GFCCVEGCSA-N 2 0 251.374 2.508 20 0 CFADRP CCC[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036570 394385745 /nfs/dbraw/zinc/38/57/45/394385745.db2.gz NIXUZCSVHSUWIG-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000453327258 394386164 /nfs/dbraw/zinc/38/61/64/394386164.db2.gz ULPMSWZPVLFTJL-BURFUSLBSA-N 2 0 290.451 2.867 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000453353486 394389290 /nfs/dbraw/zinc/38/92/90/394389290.db2.gz JFXFTZZDXCNIHW-BRWVUGGUSA-N 2 0 273.424 2.661 20 0 CFADRP C[C@@H]([NH2+]CCOC1CCCCC1)C1CC[NH+](C)CC1 ZINC000111636322 542890980 /nfs/dbraw/zinc/89/09/80/542890980.db2.gz NMCFFCFOZXQLAR-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCC[NH+](C)C)CC2 ZINC000280088344 542893761 /nfs/dbraw/zinc/89/37/61/542893761.db2.gz MEHCKZXJEFFSHQ-HNNXBMFYSA-N 2 0 292.423 2.623 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(F)cn1 ZINC000453398516 394396593 /nfs/dbraw/zinc/39/65/93/394396593.db2.gz KPAHVKGZPJHHSC-LBPRGKRZSA-N 2 0 265.376 2.746 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(O)c1 ZINC000453409510 394399369 /nfs/dbraw/zinc/39/93/69/394399369.db2.gz ULJPFVRZLQAONC-ZDUSSCGKSA-N 2 0 262.397 2.917 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453412698 394399815 /nfs/dbraw/zinc/39/98/15/394399815.db2.gz WHNRJQDZEITMAO-NUEKZKHPSA-N 2 0 280.456 2.654 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CC2 ZINC000280216636 542897330 /nfs/dbraw/zinc/89/73/30/542897330.db2.gz ULLLJBJPTSYAEA-IUODEOHRSA-N 2 0 292.423 2.621 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CC12CC2 ZINC000527848650 394416795 /nfs/dbraw/zinc/41/67/95/394416795.db2.gz RXRXCNRYWULTRD-HUUCEWRRSA-N 2 0 250.430 2.887 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC23CC3)[C@H](C)C1 ZINC000527866911 394419023 /nfs/dbraw/zinc/41/90/23/394419023.db2.gz QKFJZHVHZRDFSM-VQHPVUNQSA-N 2 0 294.483 2.902 20 0 CFADRP COCCC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC000527936356 394428716 /nfs/dbraw/zinc/42/87/16/394428716.db2.gz QYCPQQLVWUQKLT-UHFFFAOYSA-N 2 0 280.456 2.609 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2n1 ZINC000527964970 394433004 /nfs/dbraw/zinc/43/30/04/394433004.db2.gz WAQFEWUBAWPRQJ-SOLBZPMBSA-N 2 0 298.434 2.536 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178846 394472308 /nfs/dbraw/zinc/47/23/08/394472308.db2.gz RROWHDSLLXYJLY-GDBMZVCRSA-N 2 0 258.409 2.882 20 0 CFADRP C1CC2(C1)[NH2+]CC[C@H]2[NH2+]C1CCC2(CCOCC2)CC1 ZINC000530180003 394473225 /nfs/dbraw/zinc/47/32/25/394473225.db2.gz ZQAWVRUVNIJJLK-OAHLLOKOSA-N 2 0 278.440 2.600 20 0 CFADRP COc1cccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])OC)c1 ZINC000530207073 394479708 /nfs/dbraw/zinc/47/97/08/394479708.db2.gz CVZVSRRXEOWDFF-ZACQAIPSSA-N 2 0 292.423 2.632 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207880 394479933 /nfs/dbraw/zinc/47/99/33/394479933.db2.gz FANPPJBFCTZROK-GOEBONIOSA-N 2 0 250.430 2.920 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCC ZINC000530206616 394480051 /nfs/dbraw/zinc/48/00/51/394480051.db2.gz AXAHPPCFEAJSQF-FXUDXRNXSA-N 2 0 268.445 2.702 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]21 ZINC000530210302 394480776 /nfs/dbraw/zinc/48/07/76/394480776.db2.gz JDWCUCLNJQQSJN-WNJYQQPYSA-N 2 0 288.822 2.851 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530210994 394481993 /nfs/dbraw/zinc/48/19/93/394481993.db2.gz KWOAYJVXDZBXAC-MSOLQXFVSA-N 2 0 272.436 2.899 20 0 CFADRP Fc1cccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530223042 394488630 /nfs/dbraw/zinc/48/86/30/394488630.db2.gz LQFKSHNFMOMPNA-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000530225477 394489427 /nfs/dbraw/zinc/48/94/27/394489427.db2.gz ZZATWODPMBCVEO-HOCLYGCPSA-N 2 0 291.439 2.533 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240195 394494532 /nfs/dbraw/zinc/49/45/32/394494532.db2.gz AQMJHBCEXJUJBY-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C)CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249684 394496828 /nfs/dbraw/zinc/49/68/28/394496828.db2.gz XQFBKCVLFCAIOT-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCC[C@@H]1CN(c2nccc3ccccc32)CCO1 ZINC000528058586 394443013 /nfs/dbraw/zinc/44/30/13/394443013.db2.gz QNBLQSFQCYPVAB-MRXNPFEDSA-N 2 0 299.418 2.782 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000536607167 394562554 /nfs/dbraw/zinc/56/25/54/394562554.db2.gz XIEVOFDOKUVIJS-QGZVFWFLSA-N 2 0 288.435 2.766 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000536839011 394572275 /nfs/dbraw/zinc/57/22/75/394572275.db2.gz MZSQSQWILNPUPN-FMKPAKJESA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1cccs1 ZINC000536836850 394572708 /nfs/dbraw/zinc/57/27/08/394572708.db2.gz CDQZBQSRWHXUCN-UMVBOHGHSA-N 2 0 266.454 2.999 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000540982142 394661263 /nfs/dbraw/zinc/66/12/63/394661263.db2.gz ATHYVKZPAKPTAM-AWEZNQCLSA-N 2 0 269.392 2.618 20 0 CFADRP CC(C)[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccnc1 ZINC000538115989 394598104 /nfs/dbraw/zinc/59/81/04/394598104.db2.gz GYBTYDQVFJVLRW-GDBMZVCRSA-N 2 0 261.413 2.710 20 0 CFADRP COCC1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000539651046 394630161 /nfs/dbraw/zinc/63/01/61/394630161.db2.gz VLUHHXZGRILWPC-GOEBONIOSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)C1 ZINC000539834437 394636885 /nfs/dbraw/zinc/63/68/85/394636885.db2.gz BVWWGGLVBCTNDQ-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCOCC1 ZINC000540522703 394648940 /nfs/dbraw/zinc/64/89/40/394648940.db2.gz VUXKSJBWGZMVOV-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP COCCCN(C)CC[NH2+][C@H](C)C1CCCCCC1 ZINC000541542533 394675367 /nfs/dbraw/zinc/67/53/67/394675367.db2.gz NXGGFQFVEREEKA-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000544579397 394765152 /nfs/dbraw/zinc/76/51/52/394765152.db2.gz QULHXYFADVDQJM-CVEARBPZSA-N 2 0 292.471 2.973 20 0 CFADRP C[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000546691670 394838896 /nfs/dbraw/zinc/83/88/96/394838896.db2.gz VMBOCGFVGLRJSO-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP CCc1cc(NCC2=CC[N@H+](C)CC2)c2ccccc2[nH+]1 ZINC000546887386 394848048 /nfs/dbraw/zinc/84/80/48/394848048.db2.gz ZZBFAKUBCIHDDV-UHFFFAOYSA-N 2 0 281.403 2.893 20 0 CFADRP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000060717785 542965832 /nfs/dbraw/zinc/96/58/32/542965832.db2.gz NSPUOGRGAIWOBM-GFCCVEGCSA-N 2 0 282.378 2.827 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166721188 542966910 /nfs/dbraw/zinc/96/69/10/542966910.db2.gz OSZRDRKFMQTAJN-BRWVUGGUSA-N 2 0 288.435 2.979 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000556760071 395012668 /nfs/dbraw/zinc/01/26/68/395012668.db2.gz KJIKRQJUIFQRDB-HYVNUMGLSA-N 2 0 258.409 2.722 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@H]3C(C)=CCC[C@H]3C)[C@H]2C1 ZINC000556928995 395025258 /nfs/dbraw/zinc/02/52/58/395025258.db2.gz QEKSFTASNBTKPK-VSZNYVQBSA-N 2 0 292.467 2.774 20 0 CFADRP CC[C@@H]1CCC[C@@H](CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)C1 ZINC000556925751 395025355 /nfs/dbraw/zinc/02/53/55/395025355.db2.gz APXRXRMPXIRWMF-ZJPYXAASSA-N 2 0 294.483 2.998 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554881662 394961751 /nfs/dbraw/zinc/96/17/51/394961751.db2.gz BTYBOPYOEKUYIQ-MSOLQXFVSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000558260956 395056928 /nfs/dbraw/zinc/05/69/28/395056928.db2.gz YXLICGUKQLWHDW-YQQAZPJKSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc2cccnc12 ZINC000578244727 395094972 /nfs/dbraw/zinc/09/49/72/395094972.db2.gz GMTCDWXVILECBV-CJNGLKHVSA-N 2 0 269.392 2.855 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000557266098 395033694 /nfs/dbraw/zinc/03/36/94/395033694.db2.gz LMLOBQUIZALNAL-AHCXZYCDSA-N 2 0 294.483 2.923 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000557702850 395044846 /nfs/dbraw/zinc/04/48/46/395044846.db2.gz PXVXOFQKRSVAFP-ZACQAIPSSA-N 2 0 292.467 2.656 20 0 CFADRP Fc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)cc1 ZINC000648408762 395130720 /nfs/dbraw/zinc/13/07/20/395130720.db2.gz HCCKNFROBVXPBP-UHFFFAOYSA-N 2 0 262.372 2.794 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648428432 395139588 /nfs/dbraw/zinc/13/95/88/395139588.db2.gz OSEUOVFSYYMIGN-CRAIPNDOSA-N 2 0 272.436 2.865 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648448182 395147179 /nfs/dbraw/zinc/14/71/79/395147179.db2.gz ACAPSMDAEFQFDI-GOSISDBHSA-N 2 0 272.436 2.865 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000180560239 543014456 /nfs/dbraw/zinc/01/44/56/543014456.db2.gz VVMSJDYAONKLLL-RISCZKNCSA-N 2 0 266.433 2.735 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000180546134 543014683 /nfs/dbraw/zinc/01/46/83/543014683.db2.gz CAHWBHYTFMQOMQ-ZBFHGGJFSA-N 2 0 276.424 2.700 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC000648484826 395169350 /nfs/dbraw/zinc/16/93/50/395169350.db2.gz HFTQESGTYDUUFU-GVDBMIGSSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648494676 395173143 /nfs/dbraw/zinc/17/31/43/395173143.db2.gz SLVIQPJNCKXKQY-GOSISDBHSA-N 2 0 270.420 2.786 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171168 395197734 /nfs/dbraw/zinc/19/77/34/395197734.db2.gz BPXALOKZNKUUEJ-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CO1 ZINC000647171169 395197830 /nfs/dbraw/zinc/19/78/30/395197830.db2.gz BPXALOKZNKUUEJ-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP COCC1CCC([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000648585380 395204341 /nfs/dbraw/zinc/20/43/41/395204341.db2.gz RNBGTEKDBMMDCW-PCKAHOCUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](CCO)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000647185020 395208417 /nfs/dbraw/zinc/20/84/17/395208417.db2.gz LTPALKLKGLDPLK-RDJZCZTQSA-N 2 0 288.435 2.544 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(F)(F)CC1 ZINC000647190519 395213054 /nfs/dbraw/zinc/21/30/54/395213054.db2.gz CTKSUIVNWMOQAR-ZDUSSCGKSA-N 2 0 278.387 2.511 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CO1 ZINC000647195840 395216871 /nfs/dbraw/zinc/21/68/71/395216871.db2.gz GEGJTPVGXVABFL-ORBLRFAASA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC(F)F ZINC000647317786 395288691 /nfs/dbraw/zinc/28/86/91/395288691.db2.gz YDYUTJIUTHORSB-NSHDSACASA-N 2 0 260.372 2.742 20 0 CFADRP Fc1cccc(C2([NH2+]CC3CC[NH2+]CC3)CCC2)c1 ZINC000647376976 395320749 /nfs/dbraw/zinc/32/07/49/395320749.db2.gz HKDRVQYVCNEHJD-UHFFFAOYSA-N 2 0 262.372 2.794 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccncc2)[C@H](c2ccccc2)C1 ZINC000647248599 395256486 /nfs/dbraw/zinc/25/64/86/395256486.db2.gz KXIWTDGOYYWPAL-MSOLQXFVSA-N 2 0 281.403 2.517 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]C2CCCC2)[C@H](c2ccccc2)C1 ZINC000647248584 395256643 /nfs/dbraw/zinc/25/66/43/395256643.db2.gz KKMFCJQJDDSRDF-WBVHZDCISA-N 2 0 258.409 2.864 20 0 CFADRP c1cnn(-c2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2)c1 ZINC000647482831 395355264 /nfs/dbraw/zinc/35/52/64/395355264.db2.gz BVKAQKYBULONOP-UHFFFAOYSA-N 2 0 296.418 2.589 20 0 CFADRP CC[C@H](C)Oc1cc(CN(C)[C@@H](C)C[NH3+])ccc1OC ZINC000647496032 395358560 /nfs/dbraw/zinc/35/85/60/395358560.db2.gz FKJJULVNKWYYQI-STQMWFEESA-N 2 0 280.412 2.652 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cscc2Cl)C1 ZINC000647496500 395358823 /nfs/dbraw/zinc/35/88/23/395358823.db2.gz ODRLSXURZHHJDO-UWVGGRQHSA-N 2 0 258.818 2.961 20 0 CFADRP COc1nc2ccccc2cc1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000647496688 395358946 /nfs/dbraw/zinc/35/89/46/395358946.db2.gz BANAIDFGVPYCTP-CXAGYDPISA-N 2 0 299.418 2.803 20 0 CFADRP CC[C@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000647497304 395360224 /nfs/dbraw/zinc/36/02/24/395360224.db2.gz CGEVKEGCVHQMOP-HJWJTTGWSA-N 2 0 258.409 2.849 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CCC[NH3+] ZINC000647497021 395361057 /nfs/dbraw/zinc/36/10/57/395361057.db2.gz UVNFWYDUUBGUAI-UHFFFAOYSA-N 2 0 260.303 2.794 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[C@@H]1[NH3+] ZINC000647498583 395361754 /nfs/dbraw/zinc/36/17/54/395361754.db2.gz KSQBQPAOFDVGQM-YOEHRIQHSA-N 2 0 298.434 2.944 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[C@@H]1[NH3+] ZINC000647498580 395362490 /nfs/dbraw/zinc/36/24/90/395362490.db2.gz KSQBQPAOFDVGQM-PBHICJAKSA-N 2 0 298.434 2.944 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4cnccc4c3)C[C@H]21 ZINC000647511861 395367048 /nfs/dbraw/zinc/36/70/48/395367048.db2.gz NHBJIRCPXXNHPJ-RCCFBDPRSA-N 2 0 281.403 2.794 20 0 CFADRP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000647516405 395370156 /nfs/dbraw/zinc/37/01/56/395370156.db2.gz PBHGYFJSNCMVOQ-SJORKVTESA-N 2 0 258.409 2.995 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000647537750 395380575 /nfs/dbraw/zinc/38/05/75/395380575.db2.gz GGGYGWMODUOPOE-BBRMVZONSA-N 2 0 260.381 2.529 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543054 395384092 /nfs/dbraw/zinc/38/40/92/395384092.db2.gz GZMDUYSNXYTXRI-HOTGVXAUSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543003 395384598 /nfs/dbraw/zinc/38/45/98/395384598.db2.gz GKOFCPXWKNNQSA-HUUCEWRRSA-N 2 0 293.480 2.972 20 0 CFADRP Cc1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543018 395384742 /nfs/dbraw/zinc/38/47/42/395384742.db2.gz GNSAHYFPQZSFNL-KGLIPLIRSA-N 2 0 279.453 2.663 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647544391 395385768 /nfs/dbraw/zinc/38/57/68/395385768.db2.gz ZQZMSQIUIOQKRS-SJORKVTESA-N 2 0 290.455 2.676 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543734 395386014 /nfs/dbraw/zinc/38/60/14/395386014.db2.gz RMXFLUHQUOJXOA-GJZGRUSLSA-N 2 0 264.438 2.960 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1F ZINC000647545801 395386129 /nfs/dbraw/zinc/38/61/29/395386129.db2.gz WDOONYXXFQBGLR-UONOGXRCSA-N 2 0 292.398 2.656 20 0 CFADRP C[C@H]([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647546452 395387013 /nfs/dbraw/zinc/38/70/13/395387013.db2.gz KXBKAHYEYHFQBI-ATVPRXPUSA-N 2 0 259.397 2.506 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1cccs1 ZINC000647550349 395389095 /nfs/dbraw/zinc/38/90/95/395389095.db2.gz MPVWTWGJGZGYOI-LJISPDSOSA-N 2 0 278.465 2.904 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1O ZINC000647551372 395390623 /nfs/dbraw/zinc/39/06/23/395390623.db2.gz LBKUPSADAYLOAU-BRWVUGGUSA-N 2 0 288.435 2.529 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647551686 395390824 /nfs/dbraw/zinc/39/08/24/395390824.db2.gz CHKTXNWUSNMTAQ-IJEWVQPXSA-N 2 0 287.451 2.857 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000647553286 395392353 /nfs/dbraw/zinc/39/23/53/395392353.db2.gz PNXVZEKMDKURNW-INIZCTEOSA-N 2 0 282.387 2.801 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000647872610 395448093 /nfs/dbraw/zinc/44/80/93/395448093.db2.gz HEDZPFFNDTZSCR-UHFFFAOYSA-N 2 0 290.407 2.769 20 0 CFADRP CCc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000647874823 395448932 /nfs/dbraw/zinc/44/89/32/395448932.db2.gz BQBGJUWNHCBPFT-MRXNPFEDSA-N 2 0 258.409 2.823 20 0 CFADRP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647873384 395449052 /nfs/dbraw/zinc/44/90/52/395449052.db2.gz CHOSIJXBEVJNCF-WMLDXEAASA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H](O)C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647880361 395449696 /nfs/dbraw/zinc/44/96/96/395449696.db2.gz MCVKFKCVEAPBLN-MRXNPFEDSA-N 2 0 290.451 2.649 20 0 CFADRP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000647881008 395450928 /nfs/dbraw/zinc/45/09/28/395450928.db2.gz SNDXQDJIPMLBEQ-GFCCVEGCSA-N 2 0 272.314 2.747 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)C(C1CC1)C1CC1 ZINC000647882902 395451495 /nfs/dbraw/zinc/45/14/95/395451495.db2.gz NDHFQGGVWJLNMD-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647884499 395452230 /nfs/dbraw/zinc/45/22/30/395452230.db2.gz WUCSTCRHZZDEBY-IRXDYDNUSA-N 2 0 258.409 2.551 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885724 395452654 /nfs/dbraw/zinc/45/26/54/395452654.db2.gz JNEADRJDOUYGAC-WBVHZDCISA-N 2 0 258.409 2.650 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1c1ccccc1 ZINC000647889343 395453169 /nfs/dbraw/zinc/45/31/69/395453169.db2.gz IJURTHVWYLBMGP-HLLBOEOZSA-N 2 0 258.409 2.722 20 0 CFADRP Fc1ccc(C[N@H+](CC2CC2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647885945 395453556 /nfs/dbraw/zinc/45/35/56/395453556.db2.gz QVOQKWRCXMKROY-HNNXBMFYSA-N 2 0 262.372 2.647 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890806 395454342 /nfs/dbraw/zinc/45/43/42/395454342.db2.gz XQGGEHUJKRWUKL-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C(CC1CC[NH2+]CC1)CN1CC[NH+](C2CCCCC2)CC1 ZINC000647988143 395473759 /nfs/dbraw/zinc/47/37/59/395473759.db2.gz UMMOORVAEGOHKQ-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP CC1(C)C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000647991686 395474190 /nfs/dbraw/zinc/47/41/90/395474190.db2.gz YGDSNTOWKODOIN-QWRGUYRKSA-N 2 0 264.335 2.506 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](CC1CC1)C1CCCCC1 ZINC000647962014 395467562 /nfs/dbraw/zinc/46/75/62/395467562.db2.gz JJNPWMPOXZIIKG-KRWDZBQOSA-N 2 0 282.472 2.732 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647995317 395474749 /nfs/dbraw/zinc/47/47/49/395474749.db2.gz NWKUNNJHJJWWSI-RBSFLKMASA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000647970623 395470426 /nfs/dbraw/zinc/47/04/26/395470426.db2.gz GROFPTLWBSAAAN-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977565 395471651 /nfs/dbraw/zinc/47/16/51/395471651.db2.gz DQBRZLRUOLKHDX-MSOLQXFVSA-N 3 0 293.499 2.574 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977927 395471696 /nfs/dbraw/zinc/47/16/96/395471696.db2.gz JXOYGXLGBRKMRQ-JKSUJKDBSA-N 2 0 268.445 2.515 20 0 CFADRP CC(C)n1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977478 395471835 /nfs/dbraw/zinc/47/18/35/395471835.db2.gz CFVROGHZQVTCPV-HOTGVXAUSA-N 2 0 290.455 2.676 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c21 ZINC000647785970 395427830 /nfs/dbraw/zinc/42/78/30/395427830.db2.gz GYEUMHPCDSSSQV-USXIJHARSA-N 2 0 297.446 2.997 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647784452 395427834 /nfs/dbraw/zinc/42/78/34/395427834.db2.gz UMVQWSALJZQEOU-IXDOHACOSA-N 2 0 258.409 2.781 20 0 CFADRP Fc1ccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786232 395427858 /nfs/dbraw/zinc/42/78/58/395427858.db2.gz LHIKQSTYAPRDMP-OFQRWUPVSA-N 2 0 292.398 2.572 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647785966 395427969 /nfs/dbraw/zinc/42/79/69/395427969.db2.gz GXUTYDKZTQFGDG-RCCFBDPRSA-N 2 0 272.436 2.824 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647788556 395428753 /nfs/dbraw/zinc/42/87/53/395428753.db2.gz LZMGFKQTLTUJNX-FGTMMUONSA-N 2 0 288.435 2.701 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788767 395428764 /nfs/dbraw/zinc/42/87/64/395428764.db2.gz QEYPGLREKONXFY-GVDBMIGSSA-N 2 0 288.435 2.742 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)nc21 ZINC000647788179 395429051 /nfs/dbraw/zinc/42/90/51/395429051.db2.gz DJDCKXCTAQXXLG-SOUVJXGZSA-N 2 0 299.418 2.656 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647789638 395429630 /nfs/dbraw/zinc/42/96/30/395429630.db2.gz IKOWHMFAHPYQLL-QLFBSQMISA-N 2 0 293.480 2.752 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789456 395429650 /nfs/dbraw/zinc/42/96/50/395429650.db2.gz FWXXIFGBSYAFJW-HRCADAONSA-N 2 0 274.408 2.563 20 0 CFADRP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647790085 395429727 /nfs/dbraw/zinc/42/97/27/395429727.db2.gz RFDYZCOGYWEBDD-TZNCUMHOSA-N 2 0 270.420 2.595 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647789979 395429902 /nfs/dbraw/zinc/42/99/02/395429902.db2.gz OUHDNSFFANZVHE-ARFHVFGLSA-N 2 0 280.456 2.561 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000647792987 395430259 /nfs/dbraw/zinc/43/02/59/395430259.db2.gz GXWCYHTYFKUBNV-VQHPVUNQSA-N 2 0 282.472 2.805 20 0 CFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647793110 395430270 /nfs/dbraw/zinc/43/02/70/395430270.db2.gz KUKZMAJYZYUORN-SRTKAIALSA-N 2 0 274.408 2.881 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000647794670 395431178 /nfs/dbraw/zinc/43/11/78/395431178.db2.gz AKDFSZRVRPRVIU-IXDOHACOSA-N 2 0 294.483 2.951 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C)o1 ZINC000647793861 395431460 /nfs/dbraw/zinc/43/14/60/395431460.db2.gz KDDIPHJJTRSFJV-JJXSEGSLSA-N 2 0 292.423 2.643 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647798298 395432766 /nfs/dbraw/zinc/43/27/66/395432766.db2.gz PBCQIULUFSLWHT-SFFUCWETSA-N 2 0 270.420 2.768 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000647798890 395433404 /nfs/dbraw/zinc/43/34/04/395433404.db2.gz YVCSWELVDIWTHF-OWCLPIDISA-N 2 0 280.456 2.561 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647798827 395433811 /nfs/dbraw/zinc/43/38/11/395433811.db2.gz XZFSKSIXSVRTOZ-FGTMMUONSA-N 2 0 270.420 2.850 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647800390 395433820 /nfs/dbraw/zinc/43/38/20/395433820.db2.gz AGDSLQNPTWUSTC-VHSXEESVSA-N 2 0 271.355 2.791 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647802631 395435632 /nfs/dbraw/zinc/43/56/32/395435632.db2.gz QLRXNJAXKVIICJ-OAHLLOKOSA-N 2 0 280.387 2.548 20 0 CFADRP CC[NH+](CC)C[C@H]1CCN(Cc2ccnn2CC(C)C)C1 ZINC000648010832 395479719 /nfs/dbraw/zinc/47/97/19/395479719.db2.gz VRMCTASKLDCRCR-MRXNPFEDSA-N 2 0 292.471 2.703 20 0 CFADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000649414560 395490234 /nfs/dbraw/zinc/49/02/34/395490234.db2.gz HSMJDDMKKTVRCV-KRWDZBQOSA-N 2 0 290.455 2.645 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417823 395490456 /nfs/dbraw/zinc/49/04/56/395490456.db2.gz IWSMNNSNKOSOAJ-PVAVHDDUSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649418002 395490907 /nfs/dbraw/zinc/49/09/07/395490907.db2.gz UGXPMBDZLOREER-HYVNUMGLSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)C1CC[NH+](C)CC1 ZINC000037221372 543027325 /nfs/dbraw/zinc/02/73/25/543027325.db2.gz BFPAHHYFPYONEH-HIFRSBDPSA-N 2 0 295.496 2.671 20 0 CFADRP CC[NH+](CC)CCCN1CCc2cccc(OC)c2C1 ZINC000650109685 395610215 /nfs/dbraw/zinc/61/02/15/395610215.db2.gz CQWWNIWCUUMBHP-UHFFFAOYSA-N 2 0 276.424 2.785 20 0 CFADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000037221215 543027616 /nfs/dbraw/zinc/02/76/16/543027616.db2.gz SFNQTPZRFIAADY-ZDUSSCGKSA-N 3 0 281.488 2.616 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000037565836 543030224 /nfs/dbraw/zinc/03/02/24/543030224.db2.gz UCOZGVRKUZSTTP-CJNGLKHVSA-N 2 0 258.409 2.646 20 0 CFADRP COc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000037680338 543030799 /nfs/dbraw/zinc/03/07/99/543030799.db2.gz KNOUXKIEYSQIEX-ZDUSSCGKSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H](C)O ZINC000310006650 413084948 /nfs/dbraw/zinc/08/49/48/413084948.db2.gz ICMOKBQVCUYRPT-RYRKJORJSA-N 2 0 290.451 2.648 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000312590066 413092885 /nfs/dbraw/zinc/09/28/85/413092885.db2.gz WWGWOUOTFLZHNZ-RDJZCZTQSA-N 2 0 274.408 2.564 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000401052353 413160640 /nfs/dbraw/zinc/16/06/40/413160640.db2.gz YXXOIJOMKQBWFH-SOUVJXGZSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000401112900 413160923 /nfs/dbraw/zinc/16/09/23/413160923.db2.gz HQTABAWAZVJPCR-QLFBSQMISA-N 2 0 252.446 2.892 20 0 CFADRP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401143616 413161206 /nfs/dbraw/zinc/16/12/06/413161206.db2.gz NICYQGPKVCIJGM-MGPQQGTHSA-N 2 0 296.361 2.766 20 0 CFADRP C(CC1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401020575 413159436 /nfs/dbraw/zinc/15/94/36/413159436.db2.gz KOIYYYODWCYDCE-HRCADAONSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401014011 413159474 /nfs/dbraw/zinc/15/94/74/413159474.db2.gz IDPRDOPJGYCHBC-RWMBFGLXSA-N 2 0 250.411 2.534 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401148759 413164606 /nfs/dbraw/zinc/16/46/06/413164606.db2.gz OZTASLRGAXYYNQ-BRWVUGGUSA-N 2 0 258.409 2.515 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000047719073 397587779 /nfs/dbraw/zinc/58/77/79/397587779.db2.gz LVBDPFIIYMJQAY-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C12CCC2 ZINC000224589856 397622966 /nfs/dbraw/zinc/62/29/66/397622966.db2.gz GPDNHLIKDWRKMT-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000650756076 397884718 /nfs/dbraw/zinc/88/47/18/397884718.db2.gz UCEGIDVGKROPMB-MSOLQXFVSA-N 2 0 281.403 2.640 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cnccc1C ZINC000650757219 397885278 /nfs/dbraw/zinc/88/52/78/397885278.db2.gz RSTXLPLTDKERKC-AWEZNQCLSA-N 2 0 269.392 2.960 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000650757882 397885543 /nfs/dbraw/zinc/88/55/43/397885543.db2.gz CURVTKSTHNRUTF-ZDUSSCGKSA-N 2 0 270.376 2.962 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650762459 397887011 /nfs/dbraw/zinc/88/70/11/397887011.db2.gz AZLFJRDRXVVMAF-INIZCTEOSA-N 2 0 288.435 2.532 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CCC1CC[NH2+]CC1)C2 ZINC000650762198 397887036 /nfs/dbraw/zinc/88/70/36/397887036.db2.gz WOGMFXLIETWYMW-GOSISDBHSA-N 2 0 272.436 2.913 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000650762683 397887134 /nfs/dbraw/zinc/88/71/34/397887134.db2.gz HTPDIGKOVCHRAT-ZACQAIPSSA-N 2 0 280.456 2.561 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000650762682 397887213 /nfs/dbraw/zinc/88/72/13/397887213.db2.gz HTPDIGKOVCHRAT-GVDBMIGSSA-N 2 0 280.456 2.561 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c1)CCC2 ZINC000650703897 397859699 /nfs/dbraw/zinc/85/96/99/397859699.db2.gz WZBDUEGBUQXGFO-GOSISDBHSA-N 2 0 270.420 2.751 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)CCC2 ZINC000650703620 397859915 /nfs/dbraw/zinc/85/99/15/397859915.db2.gz JERWRRLIWICIGU-IRXDYDNUSA-N 2 0 284.447 2.997 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650703238 397860078 /nfs/dbraw/zinc/86/00/78/397860078.db2.gz QSKMTVMRTVJWCI-DZGCQCFKSA-N 2 0 258.409 2.735 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@@]1(C)C[NH3+] ZINC000650704048 397860488 /nfs/dbraw/zinc/86/04/88/397860488.db2.gz DKTYGSDKKKCCSY-CXAGYDPISA-N 2 0 258.409 2.592 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707641 397860718 /nfs/dbraw/zinc/86/07/18/397860718.db2.gz KAVFIYKQGSAIRT-CAOSSQGBSA-N 2 0 268.445 2.641 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH+]2CCC([NH2+]CCOC)CC2)C1 ZINC000650704772 397860967 /nfs/dbraw/zinc/86/09/67/397860967.db2.gz ZQMJBMKYGGVXHD-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708845 397861483 /nfs/dbraw/zinc/86/14/83/397861483.db2.gz QHWYCXSKGNRVRO-NXOAAHMSSA-N 2 0 282.472 2.887 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)(C)C ZINC000650707751 397861775 /nfs/dbraw/zinc/86/17/75/397861775.db2.gz MILFNCHOCACHJZ-FXUDXRNXSA-N 2 0 282.472 2.887 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000650708836 397861942 /nfs/dbraw/zinc/86/19/42/397861942.db2.gz PUOJIDURGCIDCK-WMZOPIPTSA-N 2 0 296.418 2.638 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)cnn1C(C)C ZINC000650763231 397887901 /nfs/dbraw/zinc/88/79/01/397887901.db2.gz VMEDICFFDKELEP-ZDUSSCGKSA-N 2 0 278.444 2.813 20 0 CFADRP CC[N@H+](CCCN[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000650710592 397862440 /nfs/dbraw/zinc/86/24/40/397862440.db2.gz SVNSXIGYIXSZRR-INIZCTEOSA-N 3 0 281.488 2.763 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(F)cc1 ZINC000650709902 397862844 /nfs/dbraw/zinc/86/28/44/397862844.db2.gz WKJGVXJNCJGBMQ-QRTARXTBSA-N 2 0 276.399 2.990 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763274 397887926 /nfs/dbraw/zinc/88/79/26/397887926.db2.gz WJGMZZJVSZKQKO-RHSMWYFYSA-N 2 0 276.424 2.742 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1C ZINC000650711876 397863502 /nfs/dbraw/zinc/86/35/02/397863502.db2.gz HEFHUILTRXMEII-CJNGLKHVSA-N 2 0 276.424 2.953 20 0 CFADRP CC[C@H](OCC[NH2+]CC1CC[NH2+]CC1)c1ccccc1 ZINC000650710693 397863710 /nfs/dbraw/zinc/86/37/10/397863710.db2.gz XDNVXYPFFJPTOO-KRWDZBQOSA-N 2 0 276.424 2.744 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)[C@@H]1CC[NH3+] ZINC000650711391 397863861 /nfs/dbraw/zinc/86/38/61/397863861.db2.gz SEFHLHBLHSDOJU-DZGCQCFKSA-N 2 0 278.444 2.587 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000650712743 397864882 /nfs/dbraw/zinc/86/48/82/397864882.db2.gz SCHKWURBVLEURN-UHFFFAOYSA-N 2 0 256.752 2.698 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CN2 ZINC000650715104 397865729 /nfs/dbraw/zinc/86/57/29/397865729.db2.gz PGBWACIQBJSNGD-UOVPBQLFSA-N 2 0 285.435 2.534 20 0 CFADRP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CN2 ZINC000650715103 397865861 /nfs/dbraw/zinc/86/58/61/397865861.db2.gz PGBWACIQBJSNGD-CWLKWCNXSA-N 2 0 285.435 2.534 20 0 CFADRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1C ZINC000650716625 397866514 /nfs/dbraw/zinc/86/65/14/397866514.db2.gz FKXQWANXDSHSEU-UHFFFAOYSA-N 2 0 288.366 2.891 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000650718449 397868377 /nfs/dbraw/zinc/86/83/77/397868377.db2.gz NAYGPXWJANRCDD-UHFFFAOYSA-N 2 0 258.340 2.883 20 0 CFADRP Cc1ccsc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718692 397868417 /nfs/dbraw/zinc/86/84/17/397868417.db2.gz TYQYSSWKLUIKNM-UHFFFAOYSA-N 2 0 264.369 2.944 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000650719270 397868477 /nfs/dbraw/zinc/86/84/77/397868477.db2.gz JXGFQHMCWVLRLG-AWEZNQCLSA-N 2 0 299.418 2.530 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000650722078 397870191 /nfs/dbraw/zinc/87/01/91/397870191.db2.gz KAYSJDVHTMKDEY-IKGGRYGDSA-N 2 0 292.398 2.687 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CCC[NH2+]CC1)N2 ZINC000650721259 397870362 /nfs/dbraw/zinc/87/03/62/397870362.db2.gz YZQSJVNKAVYPTF-HZPDHXFCSA-N 2 0 273.424 2.535 20 0 CFADRP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723160 397871170 /nfs/dbraw/zinc/87/11/70/397871170.db2.gz IDXYNEQUGQWFTO-KFWWJZLASA-N 2 0 268.445 2.783 20 0 CFADRP c1ccc(N2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650763694 397888614 /nfs/dbraw/zinc/88/86/14/397888614.db2.gz HEOQRGZTSPTHRZ-UHFFFAOYSA-N 2 0 287.451 2.635 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000650764362 397888627 /nfs/dbraw/zinc/88/86/27/397888627.db2.gz WTKCNOSBHMDSNK-CYBMUJFWSA-N 2 0 293.430 2.932 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000650740789 397874284 /nfs/dbraw/zinc/87/42/84/397874284.db2.gz RHAWHLROGMFWSO-WMZOPIPTSA-N 2 0 291.483 2.512 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000650741472 397875544 /nfs/dbraw/zinc/87/55/44/397875544.db2.gz FCNMKFBKABXLMX-YQEWQEHLSA-N 2 0 258.409 2.958 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741035 397875579 /nfs/dbraw/zinc/87/55/79/397875579.db2.gz WOMXYDCRWACCOZ-LSDHHAIUSA-N 2 0 262.372 2.717 20 0 CFADRP CC[N@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000650742030 397876811 /nfs/dbraw/zinc/87/68/11/397876811.db2.gz PZBKTIFXHDVNFY-SJPCQFCGSA-N 2 0 293.499 2.904 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000650744623 397878085 /nfs/dbraw/zinc/87/80/85/397878085.db2.gz RZWCZOZOLGIZSM-NSHDSACASA-N 2 0 265.426 2.548 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000650744622 397878326 /nfs/dbraw/zinc/87/83/26/397878326.db2.gz RZWCZOZOLGIZSM-LLVKDONJSA-N 2 0 265.426 2.548 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650744686 397878380 /nfs/dbraw/zinc/87/83/80/397878380.db2.gz UGBOBQMCPNQWDV-LBPRGKRZSA-N 2 0 252.427 2.788 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)c1 ZINC000650747631 397879945 /nfs/dbraw/zinc/87/99/45/397879945.db2.gz DRDUSFQADROQGM-CYBMUJFWSA-N 2 0 262.397 2.783 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650751781 397882790 /nfs/dbraw/zinc/88/27/90/397882790.db2.gz AUZLOOXFKMOWNT-NCOADZHNSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCCC1 ZINC000650753950 397883844 /nfs/dbraw/zinc/88/38/44/397883844.db2.gz YWHCQKGYMNLTRU-NSHDSACASA-N 2 0 250.361 2.953 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754374 397884056 /nfs/dbraw/zinc/88/40/56/397884056.db2.gz HMSFQKXBKQYILP-GFCCVEGCSA-N 2 0 273.355 2.839 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000650755268 397884503 /nfs/dbraw/zinc/88/45/03/397884503.db2.gz ATPVXFIALDMPSP-ZDUSSCGKSA-N 2 0 258.365 2.720 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000650756456 397884542 /nfs/dbraw/zinc/88/45/42/397884542.db2.gz BDDJYMKTGYCSAW-YOEHRIQHSA-N 2 0 276.424 2.701 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCC1 ZINC000650755633 397884609 /nfs/dbraw/zinc/88/46/09/397884609.db2.gz JRXFKEZKGNKLIN-HNNXBMFYSA-N 2 0 250.361 2.953 20 0 CFADRP c1cc2c(cc[nH+]c2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000663396501 413181369 /nfs/dbraw/zinc/18/13/69/413181369.db2.gz CLNJKQXCMGRBAJ-NWDGAFQWSA-N 2 0 256.353 2.602 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)[C@@H]1CC[NH3+] ZINC000404259272 413194160 /nfs/dbraw/zinc/19/41/60/413194160.db2.gz CTYPSUXOEJOYNJ-XJKSGUPXSA-N 2 0 274.408 2.571 20 0 CFADRP CCCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660255037 413195075 /nfs/dbraw/zinc/19/50/75/413195075.db2.gz XNZGDUWKRHVNEG-JKSUJKDBSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404295571 413196974 /nfs/dbraw/zinc/19/69/74/413196974.db2.gz NKZBKLXEYXPKDL-IUODEOHRSA-N 2 0 250.361 2.775 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404401419 413200440 /nfs/dbraw/zinc/20/04/40/413200440.db2.gz RGHGTEZZZLCUTH-BBRMVZONSA-N 2 0 262.397 2.645 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404410879 413202166 /nfs/dbraw/zinc/20/21/66/413202166.db2.gz XJKGSPXNHXJUNK-CZUORRHYSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000404424636 413203412 /nfs/dbraw/zinc/20/34/12/413203412.db2.gz KWFVWFWNWZEMSL-GXFFZTMASA-N 2 0 267.442 2.709 20 0 CFADRP C[C@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)[C@H]1CC[NH3+] ZINC000404362919 413203462 /nfs/dbraw/zinc/20/34/62/413203462.db2.gz GDHCOMZBSKDKNN-YOEHRIQHSA-N 2 0 288.435 2.613 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)[C@@H]1CC[NH3+] ZINC000404450111 413208205 /nfs/dbraw/zinc/20/82/05/413208205.db2.gz YJTZPBWKZHRQHT-MAUKXSAKSA-N 2 0 298.434 2.822 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCCF)CC1 ZINC000663463948 413218167 /nfs/dbraw/zinc/21/81/67/413218167.db2.gz OTVPSFOFCICJAP-GOEBONIOSA-N 2 0 286.435 2.605 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCCF)CC2)C1 ZINC000663463065 413219164 /nfs/dbraw/zinc/21/91/64/413219164.db2.gz VZNNKUDAPWUIMJ-GDBMZVCRSA-N 2 0 286.435 2.605 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422919231 286012166 /nfs/dbraw/zinc/01/21/66/286012166.db2.gz JHLWGZUABYXMCH-ARFHVFGLSA-N 2 0 280.387 2.763 20 0 CFADRP CCC[N@H+](CCc1cccs1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660286009 413221003 /nfs/dbraw/zinc/22/10/03/413221003.db2.gz RKOSDMSBLINOGQ-HNNXBMFYSA-N 2 0 298.496 2.704 20 0 CFADRP COc1ccccc1CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356233870 155190615 /nfs/dbraw/zinc/19/06/15/155190615.db2.gz PAUMNJTXBVNYII-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000493943490 286024001 /nfs/dbraw/zinc/02/40/01/286024001.db2.gz DHTZCLGDXSHUCI-YOEHRIQHSA-N 2 0 276.424 2.694 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466922 413222606 /nfs/dbraw/zinc/22/26/06/413222606.db2.gz BHPJJBGLTPCRNJ-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467454 413222689 /nfs/dbraw/zinc/22/26/89/413222689.db2.gz FYVGFQHEHFCZFP-FUHWJXTLSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccncc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656785865 413224313 /nfs/dbraw/zinc/22/43/13/413224313.db2.gz KGIXMIOHUUOZMO-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCOCC1 ZINC000663467459 413225059 /nfs/dbraw/zinc/22/50/59/413225059.db2.gz FYVGFQHEHFCZFP-SJLPKXTDSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ncsc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784374 413225570 /nfs/dbraw/zinc/22/55/70/413225570.db2.gz CTHGOIRIXNOTGB-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367618512 286048974 /nfs/dbraw/zinc/04/89/74/286048974.db2.gz SVTYHEACBZACDI-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CCC1 ZINC000246305925 286050382 /nfs/dbraw/zinc/05/03/82/286050382.db2.gz DKOUAOAAYSNLHR-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH2+]Cc1cccc(NCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000656785786 413226929 /nfs/dbraw/zinc/22/69/29/413226929.db2.gz JPZZOLBKYHYWSN-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP Cc1ccc([C@@H](C[NH2+][C@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000422834223 292202239 /nfs/dbraw/zinc/20/22/39/292202239.db2.gz XAMDLBXQPYIMIO-SJLPKXTDSA-N 2 0 289.467 2.849 20 0 CFADRP CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660305363 413233507 /nfs/dbraw/zinc/23/35/07/413233507.db2.gz KZMZQQHTLUPYII-OWCLPIDISA-N 2 0 270.461 2.636 20 0 CFADRP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)C1CCCCC1 ZINC000653200720 413236677 /nfs/dbraw/zinc/23/66/77/413236677.db2.gz NJBTYNCJOWEFEE-OAHLLOKOSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656789539 413235706 /nfs/dbraw/zinc/23/57/06/413235706.db2.gz PTSXSUARTBQXSM-WBVHZDCISA-N 2 0 293.499 2.891 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC000424321510 286114105 /nfs/dbraw/zinc/11/41/05/286114105.db2.gz UJIUCWKFEQQYAU-NEMWNAMBSA-N 2 0 280.456 2.652 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC000424321506 286114457 /nfs/dbraw/zinc/11/44/57/286114457.db2.gz UJIUCWKFEQQYAU-FHULIHMCSA-N 2 0 280.456 2.652 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541523 296624678 /nfs/dbraw/zinc/62/46/78/296624678.db2.gz SBRQTUWSAIKIJU-QGZVFWFLSA-N 2 0 271.408 2.833 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC([C@H]3CCCCO3)CC2)CC[NH2+]1 ZINC000656792706 413238761 /nfs/dbraw/zinc/23/87/61/413238761.db2.gz WMKGRIXKSAIRLO-BFYDXBDKSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000663498113 413239967 /nfs/dbraw/zinc/23/99/67/413239967.db2.gz LRPYTARBCUBOAD-OAHLLOKOSA-N 2 0 290.386 2.679 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421378757 286150072 /nfs/dbraw/zinc/15/00/72/286150072.db2.gz WCGSCTMNHLXVME-LBDPXKHJSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000663500145 413245370 /nfs/dbraw/zinc/24/53/70/413245370.db2.gz PKKSTSVQDYJYRA-KBAYOESNSA-N 2 0 295.515 2.993 20 0 CFADRP C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420321410 413245419 /nfs/dbraw/zinc/24/54/19/413245419.db2.gz REJKAOHKRIINQL-JKSUJKDBSA-N 2 0 287.451 2.717 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421378761 286179537 /nfs/dbraw/zinc/17/95/37/286179537.db2.gz WCGSCTMNHLXVME-PRLABOORSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423159024 286211180 /nfs/dbraw/zinc/21/11/80/286211180.db2.gz DXWVWAWNBJRJNC-ZJIFWQFVSA-N 2 0 268.445 2.844 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000663503069 413249463 /nfs/dbraw/zinc/24/94/63/413249463.db2.gz NFZQDTRHGYZBKW-XJKSGUPXSA-N 2 0 296.430 2.976 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]CCCCOc1ccccc1 ZINC000663503899 413251458 /nfs/dbraw/zinc/25/14/58/413251458.db2.gz SKXSIDLEKCGABM-MRXNPFEDSA-N 2 0 264.413 2.809 20 0 CFADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423373370 286260913 /nfs/dbraw/zinc/26/09/13/286260913.db2.gz RZRBPUIWVWWVFB-KCQAQPDRSA-N 2 0 290.407 2.551 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)CC[NH2+]CC1 ZINC000423406674 292246398 /nfs/dbraw/zinc/24/63/98/292246398.db2.gz KZCPOBAALHOCKO-INIZCTEOSA-N 2 0 290.451 2.970 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCCC[NH3+])CCCCC1 ZINC000423125580 292246577 /nfs/dbraw/zinc/24/65/77/292246577.db2.gz AFOXLFXJFCBRNC-AWEZNQCLSA-N 2 0 256.434 2.690 20 0 CFADRP C[NH2+]C[C@H](C)NCCCc1c(F)cccc1Cl ZINC000663514893 413257479 /nfs/dbraw/zinc/25/74/79/413257479.db2.gz VMIZDFFIDITDOU-JTQLQIEISA-N 2 0 258.768 2.609 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000234688054 292282312 /nfs/dbraw/zinc/28/23/12/292282312.db2.gz RAFSUYOJSMYEMT-HUUCEWRRSA-N 2 0 270.461 2.950 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356840486 155389447 /nfs/dbraw/zinc/38/94/47/155389447.db2.gz JGVGFIITDOBCLP-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1cccc(F)c1 ZINC000653299174 413281688 /nfs/dbraw/zinc/28/16/88/413281688.db2.gz DQISKPZZZCRDFL-SWLSCSKDSA-N 2 0 250.361 2.570 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000343071381 154105066 /nfs/dbraw/zinc/10/50/66/154105066.db2.gz LZKZJOVFESNTGO-GWCFXTLKSA-N 2 0 288.313 2.625 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1OC ZINC000343264761 154161468 /nfs/dbraw/zinc/16/14/68/154161468.db2.gz BAWLHWKVWNJSAG-DZGCQCFKSA-N 2 0 292.423 2.524 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC000348004386 154284639 /nfs/dbraw/zinc/28/46/39/154284639.db2.gz NBQLQTVYDLIKNA-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000348047735 154296742 /nfs/dbraw/zinc/29/67/42/154296742.db2.gz VFUJDOMHVFMFMQ-HZPDHXFCSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C[C@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000348047733 154296851 /nfs/dbraw/zinc/29/68/51/154296851.db2.gz VFUJDOMHVFMFMQ-HOTGVXAUSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000348100548 154320017 /nfs/dbraw/zinc/32/00/17/154320017.db2.gz FYTFUSKZFRICDU-DOTOQJQBSA-N 2 0 276.424 2.905 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348105410 154320908 /nfs/dbraw/zinc/32/09/08/154320908.db2.gz SITYQPYFYPSICL-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2CC)[C@H](C)C1 ZINC000348121955 154329664 /nfs/dbraw/zinc/32/96/64/154329664.db2.gz KAPWTXRDFLEXOG-WCXIOVBPSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348141809 154338228 /nfs/dbraw/zinc/33/82/28/154338228.db2.gz MKESIKFOMHYQHO-CQSZACIVSA-N 2 0 272.396 2.749 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CCCOC3)CC2)C1 ZINC000348202649 154361772 /nfs/dbraw/zinc/36/17/72/154361772.db2.gz ASPPITZWLLZVCC-YJBOKZPZSA-N 2 0 292.467 2.966 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000122323093 292307913 /nfs/dbraw/zinc/30/79/13/292307913.db2.gz PJZSSKRGDIPAKB-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000361928005 286442250 /nfs/dbraw/zinc/44/22/50/286442250.db2.gz UQEQVTXYMKBIOQ-SVXFNXITSA-N 2 0 294.483 2.758 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000449225214 286442887 /nfs/dbraw/zinc/44/28/87/286442887.db2.gz SPEWEFDKTRMVQG-ZJIFWQFVSA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C1CCCC1 ZINC000422823767 286446412 /nfs/dbraw/zinc/44/64/12/286446412.db2.gz MDQRWOQUWWXSBB-USXIJHARSA-N 2 0 282.472 2.950 20 0 CFADRP COc1cccc(C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422958406 286453107 /nfs/dbraw/zinc/45/31/07/286453107.db2.gz XPNMMBGTVQRTTB-ZIAGYGMSSA-N 2 0 264.413 2.733 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000354423083 154704064 /nfs/dbraw/zinc/70/40/64/154704064.db2.gz PSPJYOHKMSZKSJ-HNNXBMFYSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000355583282 155045928 /nfs/dbraw/zinc/04/59/28/155045928.db2.gz MBDMJYMHIDSTMU-RDHHWEPZSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(CC)CC ZINC000344107595 286491688 /nfs/dbraw/zinc/49/16/88/286491688.db2.gz WZNTYWJZWDQTGF-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CCC(CC)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363891314 156203233 /nfs/dbraw/zinc/20/32/33/156203233.db2.gz TZGRBWAWGZIFCM-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1cnc2n1CCCC2 ZINC000367434974 156331050 /nfs/dbraw/zinc/33/10/50/156331050.db2.gz AMVHKQBKLJXRDR-CYBMUJFWSA-N 2 0 270.380 2.774 20 0 CFADRP C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc2c(c1)OCO2 ZINC000367437652 156331209 /nfs/dbraw/zinc/33/12/09/156331209.db2.gz JHRKFTTWCGTWMK-LBPRGKRZSA-N 2 0 299.374 2.799 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H](C)C1 ZINC000367606034 156360777 /nfs/dbraw/zinc/36/07/77/156360777.db2.gz JGBGIGQICRYKKR-JKSUJKDBSA-N 2 0 287.451 2.823 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)[C@H]2CCC[C@H]21 ZINC000367611571 156362699 /nfs/dbraw/zinc/36/26/99/156362699.db2.gz CFFANPKPEPNNRV-OWCLPIDISA-N 2 0 280.362 2.927 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Oc1ccccc1 ZINC000367616374 156363633 /nfs/dbraw/zinc/36/36/33/156363633.db2.gz OADKDPQFHNHVPD-BZZMCLGOSA-N 2 0 288.435 2.916 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000367618750 156365278 /nfs/dbraw/zinc/36/52/78/156365278.db2.gz UIVSYYNIJVUUGB-VBNZEHGJSA-N 2 0 280.362 2.927 20 0 CFADRP COc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367625944 156368407 /nfs/dbraw/zinc/36/84/07/156368407.db2.gz ZWNCJFSLLVZMBM-BZUAXINKSA-N 2 0 292.398 2.797 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2(c3ccccn3)CCC2)CC[N@@H+]1C ZINC000367711478 156379721 /nfs/dbraw/zinc/37/97/21/156379721.db2.gz CRGWESULKFOWRI-LSDHHAIUSA-N 2 0 273.424 2.576 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000367725485 156383142 /nfs/dbraw/zinc/38/31/42/156383142.db2.gz KLMIWMFINLPNJS-BRWVUGGUSA-N 2 0 293.499 2.571 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000159161055 292350342 /nfs/dbraw/zinc/35/03/42/292350342.db2.gz NSQKQPWTDFZXHY-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180168 157079526 /nfs/dbraw/zinc/07/95/26/157079526.db2.gz YYXIMNGJYDSFFN-OAHLLOKOSA-N 2 0 273.424 2.950 20 0 CFADRP C[N@H+](C[C@H]1CC12CC[NH+](CC1=CCCOC1)CC2)C1CC1 ZINC000374284923 157093517 /nfs/dbraw/zinc/09/35/17/157093517.db2.gz WPOALPTZEPRJRZ-MRXNPFEDSA-N 2 0 290.451 2.529 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc(F)c1 ZINC000374423722 157112529 /nfs/dbraw/zinc/11/25/29/157112529.db2.gz XEBXBVQIDRSTRW-BRWVUGGUSA-N 2 0 292.398 2.509 20 0 CFADRP C([C@@H]1CCSC1)[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000375757869 157280751 /nfs/dbraw/zinc/28/07/51/157280751.db2.gz LKCMDSFQLYLKEE-ZDUSSCGKSA-N 2 0 268.470 2.736 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000375840148 157292972 /nfs/dbraw/zinc/29/29/72/157292972.db2.gz OOIIXMQDLSVKKG-XOKHGSTOSA-N 2 0 294.389 2.970 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000375840826 157294239 /nfs/dbraw/zinc/29/42/39/157294239.db2.gz QJFHBYSSWDGNSD-UONOGXRCSA-N 2 0 270.380 2.815 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000375895091 157302172 /nfs/dbraw/zinc/30/21/72/157302172.db2.gz JIBOCDZNWUDZHO-IKGGRYGDSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000376432998 157355146 /nfs/dbraw/zinc/35/51/46/157355146.db2.gz JJLGRMZCRIQUAB-ZGRYLRDCSA-N 2 0 280.456 2.797 20 0 CFADRP COCCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000178294594 292377559 /nfs/dbraw/zinc/37/75/59/292377559.db2.gz JUQRXRHNDXZWSO-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3noc4ccccc43)CC[C@H]21 ZINC000653570673 413378245 /nfs/dbraw/zinc/37/82/45/413378245.db2.gz ZJAIXHYEDMEMOM-WMLDXEAASA-N 2 0 299.418 2.786 20 0 CFADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(C)(C)C3CC3)CC2)C1 ZINC000653580327 413382780 /nfs/dbraw/zinc/38/27/80/413382780.db2.gz JTMGFATWWIBLIJ-QGZVFWFLSA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657285234 413395701 /nfs/dbraw/zinc/39/57/01/413395701.db2.gz ZNTYQSPFULFBAQ-CQSZACIVSA-N 2 0 293.459 2.603 20 0 CFADRP C[C@@H]1C[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2nccn21 ZINC000651303805 413396077 /nfs/dbraw/zinc/39/60/77/413396077.db2.gz IBDMQPYGXPGBPE-RISCZKNCSA-N 2 0 280.335 2.582 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000245968592 298317373 /nfs/dbraw/zinc/31/73/73/298317373.db2.gz NTLRTKUWPXNTHT-MGPQQGTHSA-N 2 0 284.444 2.569 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CO1 ZINC000657297026 413412353 /nfs/dbraw/zinc/41/23/53/413412353.db2.gz ZIEXSNBTOOKIFH-SJORKVTESA-N 2 0 276.424 2.666 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423566285 286860981 /nfs/dbraw/zinc/86/09/81/286860981.db2.gz TYRHTNWTGHBRRJ-KRWDZBQOSA-N 2 0 258.409 2.907 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000657305938 413422643 /nfs/dbraw/zinc/42/26/43/413422643.db2.gz ONCXHJAOBJSLLU-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000422881079 298390429 /nfs/dbraw/zinc/39/04/29/298390429.db2.gz NKTLLHPKYRQHJG-HZPDHXFCSA-N 3 0 269.477 2.748 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[NH+](C)C ZINC000449557985 286875756 /nfs/dbraw/zinc/87/57/56/286875756.db2.gz UBEOHCXPFQFGOL-VYDXJSESSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000423166730 298399468 /nfs/dbraw/zinc/39/94/68/298399468.db2.gz WAQJEWKZVYTRQZ-UKRRQHHQSA-N 2 0 261.413 2.675 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CO1 ZINC000657311319 413432234 /nfs/dbraw/zinc/43/22/34/413432234.db2.gz JESSVMPWWPWADA-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293649028 286905502 /nfs/dbraw/zinc/90/55/02/286905502.db2.gz ILOWCACIVQZOGL-MRXNPFEDSA-N 2 0 292.423 2.856 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccccc2)C1 ZINC000660624041 413437984 /nfs/dbraw/zinc/43/79/84/413437984.db2.gz UVKJUPWVZZMUHM-ZWKOTPCHSA-N 2 0 290.451 2.567 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1(C)C ZINC000344316443 162006257 /nfs/dbraw/zinc/00/62/57/162006257.db2.gz ZXMHFFNXXYVMLV-APIJFGDWSA-N 2 0 268.445 2.510 20 0 CFADRP COCc1csc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000657318318 413440231 /nfs/dbraw/zinc/44/02/31/413440231.db2.gz JXGZOFISUYEBFP-CYBMUJFWSA-N 2 0 282.453 2.716 20 0 CFADRP CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000344619209 162082765 /nfs/dbraw/zinc/08/27/65/162082765.db2.gz WAEVDWVFWJBXFF-KGLIPLIRSA-N 2 0 275.396 2.529 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000344677017 162094179 /nfs/dbraw/zinc/09/41/79/162094179.db2.gz KFMSKNLCUNZTEJ-TWGQIWQCSA-N 2 0 288.435 2.525 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000345139887 162185079 /nfs/dbraw/zinc/18/50/79/162185079.db2.gz LGQSEAUDZGSJRI-UHFFFAOYSA-N 2 0 255.365 2.519 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000345180195 162193762 /nfs/dbraw/zinc/19/37/62/162193762.db2.gz XUUGMCCCHGMAJL-UHFFFAOYSA-N 2 0 274.339 2.923 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)cnn1C(C)C ZINC000345289263 162217598 /nfs/dbraw/zinc/21/75/98/162217598.db2.gz CJZXODRFRVJAJH-CYBMUJFWSA-N 2 0 266.433 2.765 20 0 CFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)CC1(O)CCCC1 ZINC000346215579 162353617 /nfs/dbraw/zinc/35/36/17/162353617.db2.gz KMWIWVLWPULBFQ-UHFFFAOYSA-N 2 0 291.420 2.671 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CCCCCC1 ZINC000346547084 162443412 /nfs/dbraw/zinc/44/34/12/162443412.db2.gz AQVGSHJWTKKXRS-HNNXBMFYSA-N 2 0 282.472 2.639 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H](C)CC2CCOCC2)CC1 ZINC000346645523 162475060 /nfs/dbraw/zinc/47/50/60/162475060.db2.gz DSROFVOCMWLPQR-OAHLLOKOSA-N 2 0 282.472 2.761 20 0 CFADRP CC(C)c1ncc(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000346692481 162491865 /nfs/dbraw/zinc/49/18/65/162491865.db2.gz ZGXYXWYNJCOTIZ-UHFFFAOYSA-N 2 0 297.468 2.596 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]Cc1cnc2n1CCC2 ZINC000657324122 413445998 /nfs/dbraw/zinc/44/59/98/413445998.db2.gz UGXOXYUNWDTMTG-LLVKDONJSA-N 2 0 261.394 2.612 20 0 CFADRP COCc1csc(C[NH2+]CCCCn2ccnc2)c1 ZINC000657324305 413447165 /nfs/dbraw/zinc/44/71/65/413447165.db2.gz XUBCZUDUPDKWCQ-UHFFFAOYSA-N 2 0 279.409 2.661 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(C)(C)C3CC3)C2)C1 ZINC000653695584 413452395 /nfs/dbraw/zinc/45/23/95/413452395.db2.gz WYICUVJXYIDCSO-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000349663863 163001244 /nfs/dbraw/zinc/00/12/44/163001244.db2.gz KSSYZBGQHGFVAG-AWEZNQCLSA-N 2 0 282.403 2.835 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000349722295 163008139 /nfs/dbraw/zinc/00/81/39/163008139.db2.gz NVKCTUZTBZEKJM-YZUHTNEWSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccsc1CN1CCC([NH+]2CCCC2)CC1 ZINC000349840128 163023978 /nfs/dbraw/zinc/02/39/78/163023978.db2.gz OHQHVZJJKINUHE-UHFFFAOYSA-N 2 0 280.437 2.817 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CCCCCC1 ZINC000349853821 163025517 /nfs/dbraw/zinc/02/55/17/163025517.db2.gz TZXLEYHYKRBDFY-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000350017955 163051593 /nfs/dbraw/zinc/05/15/93/163051593.db2.gz UGWNQIONWUHVIW-RDJZCZTQSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@@H](C[NH2+]CC1(O)CC[NH+](C)CC1)CC1CCCCC1 ZINC000350109898 163060763 /nfs/dbraw/zinc/06/07/63/163060763.db2.gz UPYGNKJZWRWDDK-OAHLLOKOSA-N 2 0 282.472 2.639 20 0 CFADRP CCOc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350143031 163062664 /nfs/dbraw/zinc/06/26/64/163062664.db2.gz LEZHGZRWQIHYSZ-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000350145426 163062960 /nfs/dbraw/zinc/06/29/60/163062960.db2.gz IIBKOHCKVXXAGE-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000350183670 163065695 /nfs/dbraw/zinc/06/56/95/163065695.db2.gz IINQHXVVZYRWSN-UHFFFAOYSA-N 2 0 286.419 2.736 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000350200007 163065997 /nfs/dbraw/zinc/06/59/97/163065997.db2.gz CAETZXPQWFVRIY-WBVHZDCISA-N 2 0 291.439 2.575 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCOc3cccc(Cl)c3)C[C@H]12 ZINC000351475221 163131323 /nfs/dbraw/zinc/13/13/23/163131323.db2.gz HZEMVCOOXYHVHS-VBNZEHGJSA-N 2 0 294.826 2.778 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3c(F)cccc3Cl)C[C@@H]12 ZINC000351479876 163131362 /nfs/dbraw/zinc/13/13/62/163131362.db2.gz SPOADTMSJFBFDC-IXPVHAAZSA-N 2 0 282.790 2.691 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@H]12 ZINC000351472482 163132095 /nfs/dbraw/zinc/13/20/95/163132095.db2.gz AWMZMCRUBDMYTD-VNQPRFMTSA-N 2 0 278.827 2.942 20 0 CFADRP Cc1ccncc1NCc1ncc(CN(C)C)s1 ZINC000351544027 163143815 /nfs/dbraw/zinc/14/38/15/163143815.db2.gz IMDNCQQJQQXRFZ-UHFFFAOYSA-N 2 0 262.382 2.520 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(F)cc1 ZINC000351546786 163143973 /nfs/dbraw/zinc/14/39/73/163143973.db2.gz ZZUBHVPMOGKUQA-IAGOWNOFSA-N 2 0 294.414 2.568 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351609221 163157086 /nfs/dbraw/zinc/15/70/86/163157086.db2.gz QQHQTKAXCKCXLL-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351851676 163204121 /nfs/dbraw/zinc/20/41/21/163204121.db2.gz LUGHDOMIZGPFLJ-KBPBESRZSA-N 2 0 262.397 2.643 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352764644 163228346 /nfs/dbraw/zinc/22/83/46/163228346.db2.gz ILMSIFOSTHYFSV-UHFFFAOYSA-N 2 0 258.365 2.864 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352839173 163249707 /nfs/dbraw/zinc/24/97/07/163249707.db2.gz IJTBEJVFJWXEOF-WMZOPIPTSA-N 2 0 293.499 2.596 20 0 CFADRP Cc1[nH+]ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000352849192 163250599 /nfs/dbraw/zinc/25/05/99/163250599.db2.gz OEKSTPDHBQEKGL-GFCCVEGCSA-N 2 0 267.804 2.821 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCC1 ZINC000660643147 413456671 /nfs/dbraw/zinc/45/66/71/413456671.db2.gz WRWDKXIGKCOWFY-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000352941843 163274716 /nfs/dbraw/zinc/27/47/16/163274716.db2.gz DPTRCETZUFMMPS-NHYWBVRUSA-N 2 0 298.377 2.662 20 0 CFADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000353197848 163315872 /nfs/dbraw/zinc/31/58/72/163315872.db2.gz XRBAHGQKALZYMV-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP CSC1(C[NH2+]CC2(C)CCC2)CC[NH+](C)CC1 ZINC000353204035 163317406 /nfs/dbraw/zinc/31/74/06/163317406.db2.gz CUHSUBGISHHUGM-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@H](C)C2)CC[NH+](C)CC1 ZINC000353232529 163321825 /nfs/dbraw/zinc/32/18/25/163321825.db2.gz WDJSCSSFPWOJRG-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CC1CC[NH+](C[C@H](O)C[NH2+]CCC2CCCCC2)CC1 ZINC000353332935 163345730 /nfs/dbraw/zinc/34/57/30/163345730.db2.gz RERUFXVTTAAGTD-QGZVFWFLSA-N 2 0 282.472 2.639 20 0 CFADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1C ZINC000353394192 163356981 /nfs/dbraw/zinc/35/69/81/163356981.db2.gz LVFVULZIZAIQNJ-UHFFFAOYSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2F)[C@@H]2CCC[C@H]21 ZINC000353391602 163357355 /nfs/dbraw/zinc/35/73/55/163357355.db2.gz DCJPTIOBDWKOLX-CWRNSKLLSA-N 2 0 292.398 2.667 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000353392651 163357991 /nfs/dbraw/zinc/35/79/91/163357991.db2.gz GYFZGQSRENHISL-YESZJQIVSA-N 2 0 292.398 2.667 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000353506826 163380110 /nfs/dbraw/zinc/38/01/10/163380110.db2.gz ADXICWGTQXXCNV-KYJSFNMBSA-N 2 0 294.483 2.638 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1nccs1 ZINC000353505079 163380587 /nfs/dbraw/zinc/38/05/87/163380587.db2.gz UUMBTEJYHLUMHP-UNXYVOJBSA-N 2 0 253.415 2.667 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000353528713 163386097 /nfs/dbraw/zinc/38/60/97/163386097.db2.gz HHQTTYVNBRKLOQ-UHFFFAOYSA-N 2 0 298.377 2.507 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CC=CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657333059 413458516 /nfs/dbraw/zinc/45/85/16/413458516.db2.gz UTVBWTYCYRXPOY-AWEZNQCLSA-N 2 0 268.364 2.713 20 0 CFADRP Cc1c[nH]c(CNCc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000657332433 413459625 /nfs/dbraw/zinc/45/96/25/413459625.db2.gz HODSBIBNWYYNMK-UHFFFAOYSA-N 2 0 286.423 2.848 20 0 CFADRP CC(C)[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cn1 ZINC000353838488 163464198 /nfs/dbraw/zinc/46/41/98/163464198.db2.gz BCVMNCNMTMHJHS-HNNXBMFYSA-N 2 0 267.392 2.849 20 0 CFADRP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660651571 413466452 /nfs/dbraw/zinc/46/64/52/413466452.db2.gz AZYNDYKZPHALSG-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878031 287022521 /nfs/dbraw/zinc/02/25/21/287022521.db2.gz IRTDOWJXQWZOCL-BBWFWOEESA-N 3 0 281.488 2.619 20 0 CFADRP C[C@H](C[NH+]1CCCCCC1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423055705 298588316 /nfs/dbraw/zinc/58/83/16/298588316.db2.gz WHZYRMQINGJWSR-JLSDUUJJSA-N 2 0 287.451 2.985 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000246835220 287023393 /nfs/dbraw/zinc/02/33/93/287023393.db2.gz BVXWWPLOKCFLSE-TWMKSMIVSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351723218 287029651 /nfs/dbraw/zinc/02/96/51/287029651.db2.gz YGGOSQXCHHSXKF-MJBXVCDLSA-N 2 0 256.409 2.977 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)[C@H](C)[NH3+] ZINC000261556348 287062529 /nfs/dbraw/zinc/06/25/29/287062529.db2.gz BXVSJLLTZXZQJS-DXKYMHGGSA-N 2 0 250.430 2.917 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c(C)c1 ZINC000657347580 413475639 /nfs/dbraw/zinc/47/56/39/413475639.db2.gz CCMDRXWDGYWKKU-HNNXBMFYSA-N 2 0 274.408 2.720 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000284327350 196030887 /nfs/dbraw/zinc/03/08/87/196030887.db2.gz IJYUFROKKFXZSV-WMZOPIPTSA-N 2 0 288.435 2.792 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1Cl ZINC000284331534 196031808 /nfs/dbraw/zinc/03/18/08/196031808.db2.gz MHBWCVFGOIAWIC-NSHDSACASA-N 2 0 295.814 2.656 20 0 CFADRP CC(C)[NH+]1CCC(NCCC[NH+]2CCC(C)CC2)CC1 ZINC000020146233 171032714 /nfs/dbraw/zinc/03/27/14/171032714.db2.gz RWUSALOAFIBPJC-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[NH+]1CCC(NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000020147535 171034550 /nfs/dbraw/zinc/03/45/50/171034550.db2.gz RBXRPNSOMVAKKL-HNNXBMFYSA-N 2 0 295.496 2.813 20 0 CFADRP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000020524025 171236616 /nfs/dbraw/zinc/23/66/16/171236616.db2.gz ZFWUKLPJORROLB-JALIKCBVSA-N 2 0 293.480 2.566 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022155079 171361932 /nfs/dbraw/zinc/36/19/32/171361932.db2.gz WHDFDEXRLYFSAC-UHFFFAOYSA-N 2 0 291.439 2.986 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC13CCC(CC1)C3)C2 ZINC000660662134 413477582 /nfs/dbraw/zinc/47/75/82/413477582.db2.gz IMMBKQGGSUHINQ-JCYILVPMSA-N 2 0 262.441 2.984 20 0 CFADRP C[C@@H](c1ccncc1)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659018 413480562 /nfs/dbraw/zinc/48/05/62/413480562.db2.gz LYMRTYQMSGNPNQ-GOEBONIOSA-N 2 0 259.397 2.560 20 0 CFADRP Fc1ccc(C2([NH2+]Cc3cnc4n3CCC4)CC2)cc1 ZINC000657350888 413481529 /nfs/dbraw/zinc/48/15/29/413481529.db2.gz XJRGABBCAMTGRD-UHFFFAOYSA-N 2 0 271.339 2.747 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657354898 413484945 /nfs/dbraw/zinc/48/49/45/413484945.db2.gz XWUURLGRJBVGBH-ZLPCBKJTSA-N 2 0 293.499 2.571 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000657355569 413490548 /nfs/dbraw/zinc/49/05/48/413490548.db2.gz UUPLJVDFLNYUNV-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000657377116 413522966 /nfs/dbraw/zinc/52/29/66/413522966.db2.gz YQDMQTXBNUTNSR-ZBFHGGJFSA-N 2 0 276.424 2.966 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@]2(C)CC)CC1 ZINC000651676926 413561762 /nfs/dbraw/zinc/56/17/62/413561762.db2.gz RULWKRNLOUEWRL-ROUUACIJSA-N 2 0 295.515 2.963 20 0 CFADRP CC[N@@H+]1CCCN(CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000660786939 413568205 /nfs/dbraw/zinc/56/82/05/413568205.db2.gz MOJLMSJNONDBFD-QGZVFWFLSA-N 2 0 289.467 2.535 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422884992 287266980 /nfs/dbraw/zinc/26/69/80/287266980.db2.gz SWUJWRFIYSYFPY-IXDOHACOSA-N 3 0 281.488 2.891 20 0 CFADRP C[NH+](C)CCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000285339601 196254547 /nfs/dbraw/zinc/25/45/47/196254547.db2.gz CSSXJWLYMFHWIX-AATRIKPKSA-N 2 0 268.351 2.909 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657418665 413579860 /nfs/dbraw/zinc/57/98/60/413579860.db2.gz CLLFDMFHTJLRGN-CQSZACIVSA-N 2 0 299.418 2.806 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000651713801 413585108 /nfs/dbraw/zinc/58/51/08/413585108.db2.gz DSDGYXXRVCMIKE-IXDOHACOSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CO1 ZINC000657429102 413592863 /nfs/dbraw/zinc/59/28/63/413592863.db2.gz DQTCPONJHFRHJF-PNBKFKSVSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1nccs1 ZINC000657436445 413604904 /nfs/dbraw/zinc/60/49/04/413604904.db2.gz UTMMTDFVNTYYQM-LBPRGKRZSA-N 2 0 299.403 2.617 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000660825113 413594554 /nfs/dbraw/zinc/59/45/54/413594554.db2.gz SQHLZFWZSFXAJC-HRCADAONSA-N 2 0 284.488 2.834 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000651733704 413596932 /nfs/dbraw/zinc/59/69/32/413596932.db2.gz QOGCCONZSLTKDM-VSZNYVQBSA-N 2 0 294.483 2.923 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CCCCS2)n(-c2cc[nH+]cc2)n1 ZINC000657432949 413597470 /nfs/dbraw/zinc/59/74/70/413597470.db2.gz WWSXRLTWKSFKRE-OAHLLOKOSA-N 2 0 288.420 2.643 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CO1 ZINC000657434041 413597921 /nfs/dbraw/zinc/59/79/21/413597921.db2.gz DWMHKEGFDDGZBL-BZZMCLGOSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422774220 287268755 /nfs/dbraw/zinc/26/87/55/287268755.db2.gz WDSGXDHLODXXSC-PMPSAXMXSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000657457766 413631077 /nfs/dbraw/zinc/63/10/77/413631077.db2.gz CNXWKVUFJNLZHB-IRXDYDNUSA-N 2 0 295.515 2.961 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cc2cnccc2o1)C1CC1 ZINC000651827693 413668778 /nfs/dbraw/zinc/66/87/78/413668778.db2.gz KVIBHYKYYDBRLH-UHFFFAOYSA-N 2 0 273.380 2.792 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651748435 413610613 /nfs/dbraw/zinc/61/06/13/413610613.db2.gz LPJLKEZTZAJNBJ-UHFFFAOYSA-N 2 0 256.393 2.527 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651753020 413616410 /nfs/dbraw/zinc/61/64/10/413616410.db2.gz AZPFHUUTHODKQC-ARFHVFGLSA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)=CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657448093 413622992 /nfs/dbraw/zinc/62/29/92/413622992.db2.gz ONAOVONFPDRQEY-UHFFFAOYSA-N 2 0 256.353 2.713 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC23CCCC3)n(-c2cc[nH+]cc2)n1 ZINC000657448600 413623129 /nfs/dbraw/zinc/62/31/29/413623129.db2.gz MGQGWEMUQCCZRX-OAHLLOKOSA-N 2 0 268.364 2.690 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000651865621 413684005 /nfs/dbraw/zinc/68/40/05/413684005.db2.gz AYOZQCUJSSPJNL-KRWDZBQOSA-N 2 0 289.467 2.833 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000651865956 413685980 /nfs/dbraw/zinc/68/59/80/413685980.db2.gz OGKOBXCPKHYQQF-HOTGVXAUSA-N 2 0 270.461 2.758 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C1 ZINC000651865694 413688366 /nfs/dbraw/zinc/68/83/66/413688366.db2.gz FAMJYPOQISFHJW-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)ncn1 ZINC000664362673 413711771 /nfs/dbraw/zinc/71/17/71/413711771.db2.gz AHKFGTPDCPUTNH-QGZVFWFLSA-N 2 0 296.418 2.538 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC000651910368 413711957 /nfs/dbraw/zinc/71/19/57/413711957.db2.gz QRLGRQVCZPLHAO-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CCC(CC)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595213 413780844 /nfs/dbraw/zinc/78/08/44/413780844.db2.gz NETOFBISFMRGLF-SFHVURJKSA-N 2 0 290.451 2.779 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)n(-c2cc[nH+]cc2)n1 ZINC000657657834 413824100 /nfs/dbraw/zinc/82/41/00/413824100.db2.gz UAUFNHRTKFVMDB-GRDNDAEWSA-N 2 0 282.391 2.793 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000652220675 413835749 /nfs/dbraw/zinc/83/57/49/413835749.db2.gz GUVWRPCFEKGDQY-CQSZACIVSA-N 2 0 270.461 2.900 20 0 CFADRP Cc1[nH+]ccc(N2CCO[C@H](CCC[NH+](C)C)C2)c1Cl ZINC000664656365 413889892 /nfs/dbraw/zinc/88/98/92/413889892.db2.gz FZHBQGJKHHRCND-CYBMUJFWSA-N 2 0 297.830 2.590 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000657803134 413952830 /nfs/dbraw/zinc/95/28/30/413952830.db2.gz IEZMPGNGCQOVOD-HOTGVXAUSA-N 2 0 274.408 2.720 20 0 CFADRP CCn1cc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)C(C)C)cn1 ZINC000652358528 413904182 /nfs/dbraw/zinc/90/41/82/413904182.db2.gz PTQJNECREKKSRW-HNNXBMFYSA-N 2 0 278.444 2.503 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCC2CCCC2)C1 ZINC000652362627 413911255 /nfs/dbraw/zinc/91/12/55/413911255.db2.gz LSFPQBZYHXWPDZ-IXDOHACOSA-N 2 0 280.456 2.928 20 0 CFADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000664719673 413911424 /nfs/dbraw/zinc/91/14/24/413911424.db2.gz VQTVOGXODNNUGO-ZDUSSCGKSA-N 2 0 291.439 2.557 20 0 CFADRP CCC[N@H+](C)CC(C)(C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000664718202 413912503 /nfs/dbraw/zinc/91/25/03/413912503.db2.gz ABPQCYMBDYUXNV-UHFFFAOYSA-N 2 0 297.487 2.522 20 0 CFADRP c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000657811377 413956103 /nfs/dbraw/zinc/95/61/03/413956103.db2.gz AIZSLQTVKOAXGE-UHFFFAOYSA-N 2 0 258.409 2.898 20 0 CFADRP c1nc2cc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)ccc2[nH]1 ZINC000657813556 413960469 /nfs/dbraw/zinc/96/04/69/413960469.db2.gz RQCCBBGCGDAZNN-UHFFFAOYSA-N 2 0 298.434 2.775 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000657813598 413960597 /nfs/dbraw/zinc/96/05/97/413960597.db2.gz TVVUKPGRNXSUNO-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1noc(C)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813102 413962098 /nfs/dbraw/zinc/96/20/98/413962098.db2.gz ZKDLHQTYZKPLBR-UHFFFAOYSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657823621 413973569 /nfs/dbraw/zinc/97/35/69/413973569.db2.gz NSDTVAVOCHDFEI-ZDUSSCGKSA-N 2 0 274.399 2.928 20 0 CFADRP C[N@H+](CCc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285608488 196341363 /nfs/dbraw/zinc/34/13/63/196341363.db2.gz VSGNXLBBHSTUBE-XYPWUTKMSA-N 2 0 276.399 2.925 20 0 CFADRP C(C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657825058 413978113 /nfs/dbraw/zinc/97/81/13/413978113.db2.gz VQAMIHXOLOEUIY-CQSZACIVSA-N 2 0 256.459 2.738 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C2CC(CF)(CF)C2)c1 ZINC000657827512 413980697 /nfs/dbraw/zinc/98/06/97/413980697.db2.gz MGNYXNJOBBNUQE-UHFFFAOYSA-N 2 0 282.378 2.926 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)C[NH+]1CCCC1 ZINC000657847174 413999482 /nfs/dbraw/zinc/99/94/82/413999482.db2.gz VIZOKNHCDPPVNG-RYUDHWBXSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657847138 413999499 /nfs/dbraw/zinc/99/94/99/413999499.db2.gz UQEDNKJJIMOYKP-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C(C)(C)C(F)F ZINC000657847173 414001888 /nfs/dbraw/zinc/00/18/88/414001888.db2.gz VIZOKNHCDPPVNG-NWDGAFQWSA-N 2 0 262.388 2.988 20 0 CFADRP c1cc2n(n1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000657881181 414023775 /nfs/dbraw/zinc/02/37/75/414023775.db2.gz WWNJKRGMWJGDED-MRXNPFEDSA-N 2 0 290.455 2.964 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000037221924 173042588 /nfs/dbraw/zinc/04/25/88/173042588.db2.gz UJHYDZQXTLUBHG-GFCCVEGCSA-N 2 0 250.361 2.646 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000037408416 173184735 /nfs/dbraw/zinc/18/47/35/173184735.db2.gz VCHCVOAXNWNJMT-PBHICJAKSA-N 2 0 270.420 2.618 20 0 CFADRP C[C@H](CC[NH2+]C1CC(CF)(CF)C1)[NH+]1CCCCC1 ZINC000657972404 414078522 /nfs/dbraw/zinc/07/85/22/414078522.db2.gz GKXPTFXSVMJDMN-CYBMUJFWSA-N 2 0 274.399 2.928 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000658053445 414135796 /nfs/dbraw/zinc/13/57/96/414135796.db2.gz AYUCFSAOIWACID-HNNXBMFYSA-N 2 0 281.488 2.712 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CCF)C1 ZINC000661694795 414140098 /nfs/dbraw/zinc/14/00/98/414140098.db2.gz BGZITHBJWYBOGW-GJZGRUSLSA-N 2 0 256.409 2.932 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC000658070119 414153984 /nfs/dbraw/zinc/15/39/84/414153984.db2.gz VADXVXSJEUSDMC-QGZVFWFLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccn1 ZINC000658067053 414154314 /nfs/dbraw/zinc/15/43/14/414154314.db2.gz RODKIGOXPNGTEQ-YALNPMBYSA-N 2 0 273.424 2.648 20 0 CFADRP CCOC1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000657994207 414094680 /nfs/dbraw/zinc/09/46/80/414094680.db2.gz QAZDRAGLWYXTKL-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C(C)(C)C(F)F ZINC000658033891 414119777 /nfs/dbraw/zinc/11/97/77/414119777.db2.gz CDMSGDBRWTZKMY-VXGBXAGGSA-N 2 0 262.388 2.988 20 0 CFADRP CCOC1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000658037253 414122049 /nfs/dbraw/zinc/12/20/49/414122049.db2.gz ABXFZKJYBLECRL-UHFFFAOYSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(C)CC1(F)F ZINC000665265724 414220116 /nfs/dbraw/zinc/22/01/16/414220116.db2.gz ZVKIFEAYUCWOLX-FRRDWIJNSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265096 414220719 /nfs/dbraw/zinc/22/07/19/414220719.db2.gz OZTSVHMQZOYDGW-WMLDXEAASA-N 2 0 285.435 2.699 20 0 CFADRP Cn1cc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc21 ZINC000665265123 414221301 /nfs/dbraw/zinc/22/13/01/414221301.db2.gz PYBNNMXEBPEDLG-GJZGRUSLSA-N 2 0 271.408 2.580 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000665265665 414222838 /nfs/dbraw/zinc/22/28/38/414222838.db2.gz YXZZXOLBEWTRRK-WCVJEAGWSA-N 2 0 268.445 2.844 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277789 414239429 /nfs/dbraw/zinc/23/94/29/414239429.db2.gz LSKHOOQRLGJONX-YFTKNLTDSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267452 414226534 /nfs/dbraw/zinc/22/65/34/414226534.db2.gz WWMXXIGSLFLBBK-YQQAZPJKSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000665267457 414228489 /nfs/dbraw/zinc/22/84/89/414228489.db2.gz WZQPBQRYLQDORU-ZMSDIMECSA-N 2 0 279.472 2.514 20 0 CFADRP CCCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658144772 414232317 /nfs/dbraw/zinc/23/23/17/414232317.db2.gz OCRZQMCDAVCVFG-MAUKXSAKSA-N 2 0 290.451 2.922 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275941 414235250 /nfs/dbraw/zinc/23/52/50/414235250.db2.gz VWUPPUJNNUJWII-OCCSQVGLSA-N 2 0 289.448 2.946 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)C3CCC3)CC2)C1 ZINC000658088236 414179009 /nfs/dbraw/zinc/17/90/09/414179009.db2.gz PYWXMZUYNPSDOQ-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658091295 414185043 /nfs/dbraw/zinc/18/50/43/414185043.db2.gz RBRLKNJKQVIMEQ-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP COC1CC(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000665230780 414188128 /nfs/dbraw/zinc/18/81/28/414188128.db2.gz VVQBVYFBRWQWNR-YHNBSYBMSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665235422 414191873 /nfs/dbraw/zinc/19/18/73/414191873.db2.gz VXGSDDXOLMGLFL-DVOMOZLQSA-N 2 0 264.388 2.795 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccn1 ZINC000665231901 414192414 /nfs/dbraw/zinc/19/24/14/414192414.db2.gz ALPIREMHMFDKAR-SRCQZFHVSA-N 2 0 267.376 2.920 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237517 414196439 /nfs/dbraw/zinc/19/64/39/414196439.db2.gz CESVQSWHKNUZBW-WCFLWFBJSA-N 2 0 294.361 2.594 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237865 414197746 /nfs/dbraw/zinc/19/77/46/414197746.db2.gz LIDHXRYGLLCMCV-WFASDCNBSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@H]1C[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)C1 ZINC000665238866 414198585 /nfs/dbraw/zinc/19/85/85/414198585.db2.gz GHAXVIYDDKUREN-SSDAWUQTSA-N 2 0 294.483 2.805 20 0 CFADRP CC[C@H]([NH2+]CCc1ccnc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000665239809 414200837 /nfs/dbraw/zinc/20/08/37/414200837.db2.gz ZSDRBALEJMAGNC-WMZOPIPTSA-N 2 0 283.419 2.898 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000665245255 414204840 /nfs/dbraw/zinc/20/48/40/414204840.db2.gz CSGVQABNBQQDAV-IRXDYDNUSA-N 2 0 260.425 2.966 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244898 414205877 /nfs/dbraw/zinc/20/58/77/414205877.db2.gz ZDNYUBYJLARGLD-GFCCVEGCSA-N 2 0 280.387 2.974 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(-n2ccnc2)cc1 ZINC000665249701 414209609 /nfs/dbraw/zinc/20/96/09/414209609.db2.gz WWDNKRWJXQYNNP-AWEZNQCLSA-N 2 0 284.407 2.794 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000658110463 414211886 /nfs/dbraw/zinc/21/18/86/414211886.db2.gz XRRNBNVXZWLAHP-GJZGRUSLSA-N 2 0 295.446 2.748 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000665280426 414241889 /nfs/dbraw/zinc/24/18/89/414241889.db2.gz APDLEKFNJKBFBP-QMTHXVAHSA-N 2 0 256.340 2.989 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279912 414242310 /nfs/dbraw/zinc/24/23/10/414242310.db2.gz PGFOWPAVTDYYGA-LRYLCPCUSA-N 2 0 286.419 2.529 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665280562 414242831 /nfs/dbraw/zinc/24/28/31/414242831.db2.gz GKFIVMUAFFOQMO-KFWWJZLASA-N 2 0 270.461 2.933 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1F ZINC000665280969 414243496 /nfs/dbraw/zinc/24/34/96/414243496.db2.gz QRQLMOPFAUXKLM-BXUZGUMPSA-N 2 0 268.376 2.858 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279913 414244426 /nfs/dbraw/zinc/24/44/26/414244426.db2.gz PGFOWPAVTDYYGA-POWDERCYSA-N 2 0 286.419 2.529 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000665281000 414245422 /nfs/dbraw/zinc/24/54/22/414245422.db2.gz RJXPXLSUYQWZIN-CABCVRRESA-N 2 0 250.361 2.776 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000665282034 414248336 /nfs/dbraw/zinc/24/83/36/414248336.db2.gz PGDMVXUWPHOIPO-IAGOWNOFSA-N 2 0 260.425 2.897 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCc2ccco2)c2ccccc21 ZINC000665283136 414248714 /nfs/dbraw/zinc/24/87/14/414248714.db2.gz IERBEXPHHVJGRJ-CVEARBPZSA-N 2 0 256.349 2.947 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665281961 414249092 /nfs/dbraw/zinc/24/90/92/414249092.db2.gz NJCUKNNXAIVTAD-HZSPNIEDSA-N 2 0 256.434 2.542 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(C)cccc21 ZINC000665283439 414249484 /nfs/dbraw/zinc/24/94/84/414249484.db2.gz NXZCXEYPXVOOQP-RHSMWYFYSA-N 2 0 276.424 2.716 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665282953 414249494 /nfs/dbraw/zinc/24/94/94/414249494.db2.gz FFXWNTFBAVWZCZ-NKGKWGDASA-N 2 0 288.435 2.714 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000665283822 414254324 /nfs/dbraw/zinc/25/43/24/414254324.db2.gz VRPDDBRYPCLKPS-QBPKDAKJSA-N 2 0 280.456 2.559 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000665294007 414263098 /nfs/dbraw/zinc/26/30/98/414263098.db2.gz GRFLKSOGWWJPFF-UKRRQHHQSA-N 2 0 262.397 2.611 20 0 CFADRP COc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1C ZINC000665294931 414264075 /nfs/dbraw/zinc/26/40/75/414264075.db2.gz YUIYMPKDXMOJLY-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@H](C)C1 ZINC000658186928 414270131 /nfs/dbraw/zinc/27/01/31/414270131.db2.gz ULBNBXSPSMGVEK-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000658188187 414270943 /nfs/dbraw/zinc/27/09/43/414270943.db2.gz PBOINCDQTQNHRF-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cnccc1C(F)(F)F ZINC000665299275 414272336 /nfs/dbraw/zinc/27/23/36/414272336.db2.gz JTFJQWYIWCUQIN-ZWNOBZJWSA-N 2 0 287.329 2.578 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000665300108 414273185 /nfs/dbraw/zinc/27/31/85/414273185.db2.gz YJUYUJRCPOPYLY-WMZOPIPTSA-N 2 0 290.451 2.698 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000665300112 414273759 /nfs/dbraw/zinc/27/37/59/414273759.db2.gz YMILJPCJQPQGAX-LZQZEXGQSA-N 2 0 299.462 2.843 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H]2CCC[C@@H]21 ZINC000658205807 414280741 /nfs/dbraw/zinc/28/07/41/414280741.db2.gz JTAZTHPYKAZWQM-DZTUFKMZSA-N 2 0 262.441 2.885 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215782 414287647 /nfs/dbraw/zinc/28/76/47/414287647.db2.gz XHUZMGFLJDMFAN-RDTXWAMCSA-N 2 0 297.446 2.793 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658227467 414301109 /nfs/dbraw/zinc/30/11/09/414301109.db2.gz XMDQJOPHRVNXKI-QGZVFWFLSA-N 2 0 293.499 2.856 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2ccco2)CC1 ZINC000658326887 414376694 /nfs/dbraw/zinc/37/66/94/414376694.db2.gz LCMVEUKVNFNOGB-UHFFFAOYSA-N 2 0 250.386 2.676 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655703137 414377194 /nfs/dbraw/zinc/37/71/94/414377194.db2.gz MBFJGJZPHHAHDY-HNNXBMFYSA-N 2 0 292.471 2.820 20 0 CFADRP c1cc2cc(C[NH2+][C@H]3CCN(CC4CC4)C3)ccc2[nH]1 ZINC000655733982 414396638 /nfs/dbraw/zinc/39/66/38/414396638.db2.gz WQLZCANWEVANJR-INIZCTEOSA-N 2 0 269.392 2.742 20 0 CFADRP CC(C)CC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000662071219 414393038 /nfs/dbraw/zinc/39/30/38/414393038.db2.gz IJCXSGZOZXFZEA-UHFFFAOYSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158374 414438452 /nfs/dbraw/zinc/43/84/52/414438452.db2.gz SGIJVSVEEDZTCD-ZWKOTPCHSA-N 2 0 288.435 2.669 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CC1CCC1 ZINC000662158757 414438818 /nfs/dbraw/zinc/43/88/18/414438818.db2.gz WUMZLYPXABBQBO-IAGOWNOFSA-N 2 0 282.472 2.732 20 0 CFADRP CC(C)(C)O[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000655839933 414473138 /nfs/dbraw/zinc/47/31/38/414473138.db2.gz YYTQLNCNTFDAGL-XQLPTFJDSA-N 2 0 266.429 2.549 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CC1CC(OCC)C1 ZINC000662176654 414442716 /nfs/dbraw/zinc/44/27/16/414442716.db2.gz DLYBSTAUYBZLDU-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC000655804280 414449355 /nfs/dbraw/zinc/44/93/55/414449355.db2.gz ROQCTGSCRPWLSI-LXTVHRRPSA-N 2 0 282.472 2.898 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805464 414450845 /nfs/dbraw/zinc/45/08/45/414450845.db2.gz HTXYMEIRYSIUQC-OIISXLGYSA-N 2 0 290.451 2.946 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000655805274 414451289 /nfs/dbraw/zinc/45/12/89/414451289.db2.gz FGLZEVKOJIFQDQ-PEYYIBSZSA-N 2 0 262.372 2.743 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806164 414451490 /nfs/dbraw/zinc/45/14/90/414451490.db2.gz ZZINGWGWJRKDRZ-NFAWXSAZSA-N 2 0 261.413 2.635 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000655807954 414453031 /nfs/dbraw/zinc/45/30/31/414453031.db2.gz XSSRTFRPCZISTO-JMSVASOKSA-N 2 0 250.361 2.817 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655825480 414462212 /nfs/dbraw/zinc/46/22/12/414462212.db2.gz FHSSMWDWAULEKQ-GASCZTMLSA-N 2 0 292.423 2.524 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000655825487 414462746 /nfs/dbraw/zinc/46/27/46/414462746.db2.gz FNIMYNGLOOEIQU-BETUJISGSA-N 2 0 284.350 2.718 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658352059 414398697 /nfs/dbraw/zinc/39/86/97/414398697.db2.gz CKNHLGUARKDKIG-HZPDHXFCSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@H]1CCCOC1 ZINC000658357634 414400002 /nfs/dbraw/zinc/40/00/02/414400002.db2.gz UUNPUYJBBYPKBI-YOEHRIQHSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662250982 414476327 /nfs/dbraw/zinc/47/63/27/414476327.db2.gz USDKAIFHJUCHME-HOCLYGCPSA-N 2 0 274.408 2.509 20 0 CFADRP CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251620 414476368 /nfs/dbraw/zinc/47/63/68/414476368.db2.gz GTUMTQLYXUBWCQ-JSGCOSHPSA-N 2 0 292.448 2.578 20 0 CFADRP CC[N@@H+](Cc1ccccc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250648 414477241 /nfs/dbraw/zinc/47/72/41/414477241.db2.gz KQFKRDSQSJURTP-CQSZACIVSA-N 2 0 294.826 2.683 20 0 CFADRP CCC1CCC([N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)CC1 ZINC000662252436 414477459 /nfs/dbraw/zinc/47/74/59/414477459.db2.gz OGBDDWQPXBQOAZ-DQPZFDDXSA-N 2 0 292.467 2.941 20 0 CFADRP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249541 414477786 /nfs/dbraw/zinc/47/77/86/414477786.db2.gz WOYYBLQDEOJGKI-IRXDYDNUSA-N 2 0 286.419 2.653 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)[C@@H]1CCCCO1 ZINC000655849879 414478125 /nfs/dbraw/zinc/47/81/25/414478125.db2.gz QJEWTNXKUFSPGP-CVEARBPZSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)C[C@H]1COCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662254927 414479679 /nfs/dbraw/zinc/47/96/79/414479679.db2.gz MVSAKFBCMAXHPR-KRWDZBQOSA-N 2 0 288.435 2.579 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC2(CCCC2)O1 ZINC000655852893 414481767 /nfs/dbraw/zinc/48/17/67/414481767.db2.gz QEOWILKGQPPGLI-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC000662265640 414484338 /nfs/dbraw/zinc/48/43/38/414484338.db2.gz HQBWUWGTLSGAEO-UBHSHLNASA-N 2 0 294.826 2.908 20 0 CFADRP CO[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000662265525 414484526 /nfs/dbraw/zinc/48/45/26/414484526.db2.gz QNXKUFQICVPCEC-WFVVYAPDSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@@H]1[NH3+] ZINC000662271249 414486241 /nfs/dbraw/zinc/48/62/41/414486241.db2.gz UQKRWJMGFDGIDF-OCCSQVGLSA-N 2 0 289.448 2.898 20 0 CFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662272380 414489695 /nfs/dbraw/zinc/48/96/95/414489695.db2.gz FLFHNOVFKVVYCF-OCCSQVGLSA-N 2 0 274.399 2.989 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662276002 414489951 /nfs/dbraw/zinc/48/99/51/414489951.db2.gz GVOJUWVMWMUYBS-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@@H](C[NH+]1CCC2(CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662274418 414490179 /nfs/dbraw/zinc/49/01/79/414490179.db2.gz UAORWLJTFFVIBK-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274038 414490197 /nfs/dbraw/zinc/49/01/97/414490197.db2.gz SLDXYMNPMGVDCY-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1nsc2ccccc12 ZINC000662275993 414490820 /nfs/dbraw/zinc/49/08/20/414490820.db2.gz GPCMHSUHPKGJHF-HNNXBMFYSA-N 2 0 289.448 2.817 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCSc1ccc(F)cc1 ZINC000662277241 414492841 /nfs/dbraw/zinc/49/28/41/414492841.db2.gz NSTDSPRHIOFXSW-AWEZNQCLSA-N 2 0 282.428 2.896 20 0 CFADRP CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662280541 414493314 /nfs/dbraw/zinc/49/33/14/414493314.db2.gz FTVRHSMPMGAESB-HOTGVXAUSA-N 2 0 288.435 2.884 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000655936973 414493503 /nfs/dbraw/zinc/49/35/03/414493503.db2.gz RLKSPYYRFARESQ-CYBMUJFWSA-N 2 0 262.397 2.599 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662282202 414494855 /nfs/dbraw/zinc/49/48/55/414494855.db2.gz DKSUJIYPEGQASL-ARFHVFGLSA-N 2 0 292.467 2.656 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCc1c(F)cccc1F)C2 ZINC000655939886 414495423 /nfs/dbraw/zinc/49/54/23/414495423.db2.gz MCWFSVJVRDDCFM-GUYCJALGSA-N 2 0 294.389 2.958 20 0 CFADRP CC(C)=CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662283962 414495410 /nfs/dbraw/zinc/49/54/10/414495410.db2.gz DSXJXXAXXPVVAS-XHSDSOJGSA-N 2 0 266.429 2.561 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000655938914 414496030 /nfs/dbraw/zinc/49/60/30/414496030.db2.gz IBMOCIWUEBLFOW-ZDUSSCGKSA-N 2 0 282.378 2.958 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCC2CCC2)C1 ZINC000662284784 414496552 /nfs/dbraw/zinc/49/65/52/414496552.db2.gz PHSHEEADCSNMIB-OWCLPIDISA-N 2 0 266.429 2.537 20 0 CFADRP C(C[NH+]1CCCCC1)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293417 414497986 /nfs/dbraw/zinc/49/79/86/414497986.db2.gz KUECPBCXPKWGPR-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662294980 414498310 /nfs/dbraw/zinc/49/83/10/414498310.db2.gz JDOVLPRMZREJBZ-GJZGRUSLSA-N 2 0 278.440 2.600 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297738 414498643 /nfs/dbraw/zinc/49/86/43/414498643.db2.gz RKSAJULBLMLGAZ-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1F ZINC000662303090 414501268 /nfs/dbraw/zinc/50/12/68/414501268.db2.gz SBMYWLIUNSNHJB-CJNGLKHVSA-N 2 0 292.398 2.633 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320278 414505646 /nfs/dbraw/zinc/50/56/46/414505646.db2.gz SOYGFGSNIGXPDG-WBVHZDCISA-N 2 0 276.424 2.790 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662318214 414505727 /nfs/dbraw/zinc/50/57/27/414505727.db2.gz XPOXMJDKBQNEPG-SFHVURJKSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1csc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662317856 414505990 /nfs/dbraw/zinc/50/59/90/414505990.db2.gz UDJHNFYGZNKFKI-DGCLKSJQSA-N 2 0 267.442 2.791 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325947 414506955 /nfs/dbraw/zinc/50/69/55/414506955.db2.gz MAOKGIIJCZGLEM-KBPBESRZSA-N 2 0 292.414 2.710 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C1 ZINC000656193538 414529753 /nfs/dbraw/zinc/52/97/53/414529753.db2.gz MBUFICBBPYPHDI-PMPSAXMXSA-N 2 0 273.424 2.663 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000656197445 414531794 /nfs/dbraw/zinc/53/17/94/414531794.db2.gz JKPUPCOFPWJCCD-OLZOCXBDSA-N 2 0 282.815 2.751 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000656197447 414532663 /nfs/dbraw/zinc/53/26/63/414532663.db2.gz JKPUPCOFPWJCCD-STQMWFEESA-N 2 0 282.815 2.751 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656196856 414532783 /nfs/dbraw/zinc/53/27/83/414532783.db2.gz PTJAYDJXJGCJBW-KBPBESRZSA-N 2 0 264.438 2.947 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000656202167 414533622 /nfs/dbraw/zinc/53/36/22/414533622.db2.gz ZIAWDORCFDYFDU-OWSLCNJRSA-N 2 0 285.435 2.738 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000656202168 414533743 /nfs/dbraw/zinc/53/37/43/414533743.db2.gz ZIAWDORCFDYFDU-VSZNYVQBSA-N 2 0 285.435 2.738 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000656201486 414533860 /nfs/dbraw/zinc/53/38/60/414533860.db2.gz QAGYTFUFZSOHSV-HIFRSBDPSA-N 2 0 293.455 2.951 20 0 CFADRP Cc1cnc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)c1 ZINC000656200347 414533891 /nfs/dbraw/zinc/53/38/91/414533891.db2.gz MGCNPHKUWCYWSG-VQIMIIECSA-N 2 0 297.446 2.789 20 0 CFADRP COc1c(C)cccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000656200515 414534230 /nfs/dbraw/zinc/53/42/30/414534230.db2.gz ODAFGVPKORDBJU-HIFRSBDPSA-N 2 0 262.397 2.611 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000656201488 414534916 /nfs/dbraw/zinc/53/49/16/414534916.db2.gz QAGYTFUFZSOHSV-ZFWWWQNUSA-N 2 0 293.455 2.951 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC2CCC2)CC1 ZINC000659862192 414594317 /nfs/dbraw/zinc/59/43/17/414594317.db2.gz BSEHQDPXHKYXQI-IRXDYDNUSA-N 2 0 293.499 2.667 20 0 CFADRP CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000659880387 414603900 /nfs/dbraw/zinc/60/39/00/414603900.db2.gz AUTSYZQRQXEROG-DZKIICNBSA-N 2 0 270.461 2.587 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000659909609 414612947 /nfs/dbraw/zinc/61/29/47/414612947.db2.gz OPYUXQNMXFMBFO-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000659909606 414613540 /nfs/dbraw/zinc/61/35/40/414613540.db2.gz OPYUXQNMXFMBFO-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CC=CCC2)C1 ZINC000659927251 414616548 /nfs/dbraw/zinc/61/65/48/414616548.db2.gz PKQTXDZPTMNMKJ-SJORKVTESA-N 2 0 280.456 2.510 20 0 CFADRP CC1(C)C[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CO1 ZINC000659945388 414624963 /nfs/dbraw/zinc/62/49/63/414624963.db2.gz URRKMVCPTNSAJA-GJZGRUSLSA-N 2 0 266.429 2.504 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659944088 414625100 /nfs/dbraw/zinc/62/51/00/414625100.db2.gz IDIBQKFDHRSYBJ-YYIAUSFCSA-N 2 0 262.441 2.983 20 0 CFADRP c1n[nH]cc1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000656411147 414569684 /nfs/dbraw/zinc/56/96/84/414569684.db2.gz PAOPZBMFAFTVRQ-UHFFFAOYSA-N 2 0 290.455 2.540 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659976635 414638876 /nfs/dbraw/zinc/63/88/76/414638876.db2.gz TUIHNNFJXLWGEP-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038041072 174040970 /nfs/dbraw/zinc/04/09/70/174040970.db2.gz ZTAQYLZZZGIYKY-LLVKDONJSA-N 2 0 250.411 2.811 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000038041191 174041912 /nfs/dbraw/zinc/04/19/12/174041912.db2.gz XQIOVVROMNTFHI-CYBMUJFWSA-N 2 0 258.409 2.968 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@](C)(O)C2CC2)CC1 ZINC000358710600 287288576 /nfs/dbraw/zinc/28/85/76/287288576.db2.gz FYRMXRYBJXUAEF-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC000660010902 414649841 /nfs/dbraw/zinc/64/98/41/414649841.db2.gz MORCLZVVPHVIMH-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCC2)C[C@H]1C ZINC000659983666 414640505 /nfs/dbraw/zinc/64/05/05/414640505.db2.gz SBLPFNPWKVGANM-HYVNUMGLSA-N 2 0 282.472 2.996 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H](OC)C2CCC2)CC1 ZINC000659983554 414640947 /nfs/dbraw/zinc/64/09/47/414640947.db2.gz PTWCQAURNLYGMX-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659983077 414641269 /nfs/dbraw/zinc/64/12/69/414641269.db2.gz CWWZZOFTFWIHNZ-QDMKHBRRSA-N 2 0 250.430 2.839 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000660083557 414659891 /nfs/dbraw/zinc/65/98/91/414659891.db2.gz UQUAVWDXUNLLKM-TVFCKZIOSA-N 2 0 295.515 2.626 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCCCC1(C)C ZINC000660145218 414670657 /nfs/dbraw/zinc/67/06/57/414670657.db2.gz NTCZLZMEZMPMQQ-QGZVFWFLSA-N 2 0 295.515 2.772 20 0 CFADRP Cc1nc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)o1 ZINC000660115676 414665030 /nfs/dbraw/zinc/66/50/30/414665030.db2.gz YUTRWCMGIFNYKH-NHYWBVRUSA-N 2 0 274.368 2.571 20 0 CFADRP CC(C)=CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000660115597 414665241 /nfs/dbraw/zinc/66/52/41/414665241.db2.gz CLFFQUYDCGSKHG-HRCADAONSA-N 2 0 266.429 2.526 20 0 CFADRP CCC[NH+]1CCC(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000040668125 174367485 /nfs/dbraw/zinc/36/74/85/174367485.db2.gz DTZLAXVYFCLJOB-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1CCC[C@](CNC(=O)CCCCCC[NH3+])([NH+](C)C)C1 ZINC000040670686 174368715 /nfs/dbraw/zinc/36/87/15/174368715.db2.gz ZRIVBBIBQUJUHF-WBVHZDCISA-N 2 0 297.487 2.522 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746903 174391832 /nfs/dbraw/zinc/39/18/32/174391832.db2.gz GTDYQSDRXBPJIH-PBWFPOADSA-N 2 0 294.826 2.934 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663344489 414676914 /nfs/dbraw/zinc/67/69/14/414676914.db2.gz UMPKVENSIYMJNY-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663345538 414677857 /nfs/dbraw/zinc/67/78/57/414677857.db2.gz KOEPIFBWTUAFOP-KSZLIROESA-N 2 0 294.483 2.902 20 0 CFADRP c1cn2c(cccc2C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663346229 414678277 /nfs/dbraw/zinc/67/82/77/414678277.db2.gz RDZMCXDILXXBLR-INIZCTEOSA-N 2 0 298.434 2.546 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414853555 533680194 /nfs/dbraw/zinc/68/01/94/533680194.db2.gz KZNVEDWMYWHBNC-KBPBESRZSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C[NH3+])CC1 ZINC000044512015 175188312 /nfs/dbraw/zinc/18/83/12/175188312.db2.gz MPQIOCPPPMXXNF-JTQLQIEISA-N 2 0 254.324 2.697 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000044513239 175188747 /nfs/dbraw/zinc/18/87/47/175188747.db2.gz ZUPZFKNCHUQKOA-UHFFFAOYSA-N 2 0 271.364 2.512 20 0 CFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000044515421 175189992 /nfs/dbraw/zinc/18/99/92/175189992.db2.gz ZCPIPHXUGGRSTL-SWLSCSKDSA-N 2 0 262.397 2.834 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000044515441 175190002 /nfs/dbraw/zinc/19/00/02/175190002.db2.gz VITQMOUOCICMDH-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000044515478 175190078 /nfs/dbraw/zinc/19/00/78/175190078.db2.gz GXTSSENOYLIIHH-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP CCOc1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044516935 175190466 /nfs/dbraw/zinc/19/04/66/175190466.db2.gz NXGJVBBIOTUBDE-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516442 175190525 /nfs/dbraw/zinc/19/05/25/175190525.db2.gz HNOVSZNRIUBYCH-HNNXBMFYSA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ncc(C)c(OC)c2C)CC1 ZINC000044518761 175191656 /nfs/dbraw/zinc/19/16/56/175191656.db2.gz AJNIOWYCRDWCAI-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000044530386 175195460 /nfs/dbraw/zinc/19/54/60/175195460.db2.gz HEVSBMKCBALZSQ-OAHLLOKOSA-N 2 0 284.403 2.889 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000044534171 175196826 /nfs/dbraw/zinc/19/68/26/175196826.db2.gz HULYHLOLIOGDCI-CHWSQXEVSA-N 2 0 280.387 2.827 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044534493 175196868 /nfs/dbraw/zinc/19/68/68/175196868.db2.gz RTEMWCLPBNLMSL-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000363861011 287310844 /nfs/dbraw/zinc/31/08/44/287310844.db2.gz MCYYTYMVHVAAEO-NVXWUHKLSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000393385294 270307309 /nfs/dbraw/zinc/30/73/09/270307309.db2.gz VZUFJIMCOXFSBN-BZUAXINKSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249110034 287347617 /nfs/dbraw/zinc/34/76/17/287347617.db2.gz QRSFAGZXPLSNDI-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccnn1C ZINC000192677501 227262501 /nfs/dbraw/zinc/26/25/01/227262501.db2.gz AXYZGMLKUFPUEI-CABCVRRESA-N 2 0 278.444 2.583 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccnn1C ZINC000192677519 227262614 /nfs/dbraw/zinc/26/26/14/227262614.db2.gz AXYZGMLKUFPUEI-GJZGRUSLSA-N 2 0 278.444 2.583 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000111361908 227984032 /nfs/dbraw/zinc/98/40/32/227984032.db2.gz OLHJVQROEIKVQG-OIKLOGQESA-N 2 0 253.415 2.680 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000401112905 420504102 /nfs/dbraw/zinc/50/41/02/420504102.db2.gz HQTABAWAZVJPCR-RRFJBIMHSA-N 2 0 252.446 2.892 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000400971634 420502365 /nfs/dbraw/zinc/50/23/65/420502365.db2.gz PKHUUGMXSJDWMS-HLLBOEOZSA-N 2 0 272.436 2.942 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400919133 420502422 /nfs/dbraw/zinc/50/24/22/420502422.db2.gz DYAXLEBYWQTVRX-FVQBIDKESA-N 2 0 283.419 2.688 20 0 CFADRP CO[C@H]1CCN(CCCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000395164111 270311846 /nfs/dbraw/zinc/31/18/46/270311846.db2.gz KGFWMPPLAORXEV-CVEARBPZSA-N 2 0 268.445 2.785 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000221909985 270255071 /nfs/dbraw/zinc/25/50/71/270255071.db2.gz PESSKKKOMBNQAK-HNNXBMFYSA-N 2 0 278.440 2.946 20 0 CFADRP CC[C@H](C)[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000187707248 260043016 /nfs/dbraw/zinc/04/30/16/260043016.db2.gz GIKWSNAZUCUDLP-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312559074 260148902 /nfs/dbraw/zinc/14/89/02/260148902.db2.gz MFOASWUNWMQKLZ-UHFFFAOYSA-N 2 0 297.251 2.723 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000312732442 260194460 /nfs/dbraw/zinc/19/44/60/260194460.db2.gz WJWAQBQSSTVTAI-RHSMWYFYSA-N 2 0 276.424 2.891 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000313398599 260290847 /nfs/dbraw/zinc/29/08/47/260290847.db2.gz QUASARZHEFRTKV-QGZVFWFLSA-N 2 0 281.488 2.572 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(F)(F)F)CC1 ZINC000161655270 261109304 /nfs/dbraw/zinc/10/93/04/261109304.db2.gz FPFKAJUVAQKAPU-JTQLQIEISA-N 2 0 252.324 2.791 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1cccc(Br)c1 ZINC000313698073 261367813 /nfs/dbraw/zinc/36/78/13/261367813.db2.gz LAHNCYHDDGVSOJ-NSHDSACASA-N 2 0 285.229 2.709 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000390311408 262177627 /nfs/dbraw/zinc/17/76/27/262177627.db2.gz FXCYFDXQZDLMIK-WMZOPIPTSA-N 2 0 298.434 2.539 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000390386317 262186855 /nfs/dbraw/zinc/18/68/55/262186855.db2.gz DDYYPQAKMWCKLJ-MSOLQXFVSA-N 2 0 298.434 2.539 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000391208897 262389416 /nfs/dbraw/zinc/38/94/16/262389416.db2.gz OMFSEVODDSDNOP-MJBXVCDLSA-N 2 0 279.453 2.586 20 0 CFADRP CC(C)CCOCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200239 262447131 /nfs/dbraw/zinc/44/71/31/262447131.db2.gz XWOYYXMMUVNVSP-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279104355 263053002 /nfs/dbraw/zinc/05/30/02/263053002.db2.gz JPGCBBDBBQXGOT-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP CC(C)CCOCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516211 265182910 /nfs/dbraw/zinc/18/29/10/265182910.db2.gz OJCYYCVLNKOYLG-CVEARBPZSA-N 2 0 270.461 2.950 20 0 CFADRP CN(CC[N@H+](C)CCC1CCCCC1)C1CC[NH+](C)CC1 ZINC000518948752 265238300 /nfs/dbraw/zinc/23/83/00/265238300.db2.gz CLDBEQJGYOSLSB-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000514599366 266013280 /nfs/dbraw/zinc/01/32/80/266013280.db2.gz NHXJGCIJGXTLPW-QGZVFWFLSA-N 2 0 278.440 2.635 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000314772983 266016944 /nfs/dbraw/zinc/01/69/44/266016944.db2.gz PGDRRVMIVDNLKE-CALCHBBNSA-N 2 0 288.435 2.614 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000192803106 270234539 /nfs/dbraw/zinc/23/45/39/270234539.db2.gz JXTNKBZJSZWBSW-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000194927090 270248679 /nfs/dbraw/zinc/24/86/79/270248679.db2.gz JWLKTJJDVLVOAS-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP c1ccc2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000258959084 270274587 /nfs/dbraw/zinc/27/45/87/270274587.db2.gz JHONQVZENWRQFH-HNNXBMFYSA-N 2 0 254.377 2.929 20 0 CFADRP c1ccc2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC000315321322 270292414 /nfs/dbraw/zinc/29/24/14/270292414.db2.gz ZZTVKZKDLGNQPK-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CC2(OC)CCCCC2)CC1 ZINC000319794337 270294778 /nfs/dbraw/zinc/29/47/78/270294778.db2.gz FRNLYSMOLRNGHA-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000391219503 270305996 /nfs/dbraw/zinc/30/59/96/270305996.db2.gz YFYXSKSYQFWJKJ-RRFJBIMHSA-N 2 0 293.480 2.976 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000393385296 270307377 /nfs/dbraw/zinc/30/73/77/270307377.db2.gz VZUFJIMCOXFSBN-OWCLPIDISA-N 2 0 282.472 2.686 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394227564 270309147 /nfs/dbraw/zinc/30/91/47/270309147.db2.gz GOFNFTOBTFCRAI-FPMFFAJLSA-N 2 0 280.362 2.957 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000395231874 270312358 /nfs/dbraw/zinc/31/23/58/270312358.db2.gz WASZXXUJUMAYJG-WBVHZDCISA-N 2 0 287.451 2.559 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397250990 270316511 /nfs/dbraw/zinc/31/65/11/270316511.db2.gz COLVWWINMYSGIZ-NFAWXSAZSA-N 2 0 292.423 2.509 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397310635 270317003 /nfs/dbraw/zinc/31/70/03/270317003.db2.gz OSDSMOMYSVDFGZ-UPJWGTAASA-N 2 0 252.427 2.862 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000397329639 270317036 /nfs/dbraw/zinc/31/70/36/270317036.db2.gz PLIUCYAICLCXEB-BFYDXBDKSA-N 2 0 282.472 2.889 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1OC ZINC000397346047 270317097 /nfs/dbraw/zinc/31/70/97/270317097.db2.gz SCXRWSWNNREATH-YDHLFZDLSA-N 2 0 292.423 2.509 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H](C)C2 ZINC000514930739 270358744 /nfs/dbraw/zinc/35/87/44/270358744.db2.gz PGOXLBVJEDSBCU-CXAGYDPISA-N 2 0 258.409 2.818 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311042 270367457 /nfs/dbraw/zinc/36/74/57/270367457.db2.gz AQUKCGDWZDTHCN-CVEARBPZSA-N 3 0 267.461 2.502 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000515666068 270374037 /nfs/dbraw/zinc/37/40/37/270374037.db2.gz DXFBDMIHRATRMC-CVEARBPZSA-N 2 0 270.461 2.638 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)c2ccccc21 ZINC000516273608 270379746 /nfs/dbraw/zinc/37/97/46/270379746.db2.gz FTKZRTOBHGXOHU-SJORKVTESA-N 2 0 292.386 2.840 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527922778 270555631 /nfs/dbraw/zinc/55/56/31/270555631.db2.gz BESDNRZYMIFBBJ-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccccn2)C2CCC2)C1 ZINC000530221836 270774147 /nfs/dbraw/zinc/77/41/47/270774147.db2.gz YODHMTIOPTWQQD-YCPHGPKFSA-N 2 0 259.397 2.782 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240194 270778228 /nfs/dbraw/zinc/77/82/28/270778228.db2.gz AQMJHBCEXJUJBY-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000423285575 273963562 /nfs/dbraw/zinc/96/35/62/273963562.db2.gz ZPFSBIBMGGJSOW-YGRLFVJLSA-N 2 0 297.240 2.882 20 0 CFADRP COC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358211770 274012062 /nfs/dbraw/zinc/01/20/62/274012062.db2.gz ZPNXGHMFEHBWDZ-WBVHZDCISA-N 2 0 290.451 2.912 20 0 CFADRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@H+](C)CC1 ZINC000279959898 274102032 /nfs/dbraw/zinc/10/20/32/274102032.db2.gz CBCSJSBGXUCRST-UHFFFAOYSA-N 2 0 289.354 2.524 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CC2 ZINC000415009209 274125641 /nfs/dbraw/zinc/12/56/41/274125641.db2.gz FBDJWZLDRQPPJM-BBRMVZONSA-N 2 0 276.424 2.660 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000415013652 274127298 /nfs/dbraw/zinc/12/72/98/274127298.db2.gz YTBCQZWTPACXEL-XOKHGSTOSA-N 2 0 288.435 2.660 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547238 274211365 /nfs/dbraw/zinc/21/13/65/274211365.db2.gz FYCIUCZJRRINJY-HNNXBMFYSA-N 2 0 258.409 2.907 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000414786664 274230254 /nfs/dbraw/zinc/23/02/54/274230254.db2.gz XNQCAIZAKOSTSL-NSHDSACASA-N 2 0 286.341 2.978 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000070173872 274239184 /nfs/dbraw/zinc/23/91/84/274239184.db2.gz DFOGWMPCRQGYCQ-CHWSQXEVSA-N 2 0 287.382 2.933 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2c3ccccc3[nH]c21)[C@H](C)[NH3+] ZINC000423480474 274262099 /nfs/dbraw/zinc/26/20/99/274262099.db2.gz WACLGSWJBIOERU-RWSFTLGLSA-N 2 0 257.381 2.871 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc3c[nH]nc31)CC[NH2+]CC2 ZINC000335542360 274284291 /nfs/dbraw/zinc/28/42/91/274284291.db2.gz AXWBUKBEHBJZLW-CYBMUJFWSA-N 2 0 284.407 2.527 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423248593 274411785 /nfs/dbraw/zinc/41/17/85/274411785.db2.gz NNEPNHPJGLQZJJ-BFQNTYOBSA-N 2 0 262.372 2.648 20 0 CFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[C@H](C)[NH3+])CCCO2 ZINC000423228383 274725797 /nfs/dbraw/zinc/72/57/97/274725797.db2.gz ZKLDZIAVXHSWQD-ZFWWWQNUSA-N 2 0 262.397 2.844 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(C)(C)[NH3+])CC3 ZINC000335178600 274765561 /nfs/dbraw/zinc/76/55/61/274765561.db2.gz MFKLIZJKNKJCOA-LBPRGKRZSA-N 2 0 271.408 2.661 20 0 CFADRP [NH3+]C1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000423082226 274943581 /nfs/dbraw/zinc/94/35/81/274943581.db2.gz WRGWQAROUGCUHJ-RDHHWEPZSA-N 2 0 274.408 2.624 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414986491 274944070 /nfs/dbraw/zinc/94/40/70/274944070.db2.gz CNCSNNGGPQYXSL-DCVCUPEFSA-N 2 0 290.838 2.913 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414888525 275066748 /nfs/dbraw/zinc/06/67/48/275066748.db2.gz SEGUSJRKYOUAJR-ULQDDVLXSA-N 2 0 258.409 2.739 20 0 CFADRP C([C@H]1CCC[NH2+]C1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000346819815 275397484 /nfs/dbraw/zinc/39/74/84/275397484.db2.gz FJAMNLMHVLANDL-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCSC2)CC1 ZINC000302588914 275512717 /nfs/dbraw/zinc/51/27/17/275512717.db2.gz UAUAZNGOSAVGDN-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423454439 275701461 /nfs/dbraw/zinc/70/14/61/275701461.db2.gz YZMOTFSRJYPUOL-JMSVASOKSA-N 2 0 252.377 2.718 20 0 CFADRP C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCCCO1 ZINC000347396974 275722582 /nfs/dbraw/zinc/72/25/82/275722582.db2.gz XLZQLEGBUCCXAQ-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423250798 275749707 /nfs/dbraw/zinc/74/97/07/275749707.db2.gz VLJLPPHONZFQEB-ZTFGCOKTSA-N 2 0 289.467 2.930 20 0 CFADRP CC1(C)Cc2occc2[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000335522563 275874702 /nfs/dbraw/zinc/87/47/02/275874702.db2.gz WJBACQLVJDZWKT-AWEZNQCLSA-N 2 0 260.381 2.802 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC[NH2+]CC1 ZINC000414896725 275896320 /nfs/dbraw/zinc/89/63/20/275896320.db2.gz COVFBXUOZGCQOJ-LSDHHAIUSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C[NH2+][C@H]2CCCc3c(O)cccc32)CC[NH2+]CC1 ZINC000335024463 275897117 /nfs/dbraw/zinc/89/71/17/275897117.db2.gz OSVWONMFCRWCTB-HNNXBMFYSA-N 2 0 274.408 2.749 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1CCCC1 ZINC000423172941 276025831 /nfs/dbraw/zinc/02/58/31/276025831.db2.gz WBMGVJYSCVCHEW-LSDHHAIUSA-N 2 0 256.434 2.689 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000356419973 276044173 /nfs/dbraw/zinc/04/41/73/276044173.db2.gz NVCUBYVRKIJEBI-HOTGVXAUSA-N 2 0 297.487 2.534 20 0 CFADRP CC(C)n1ccnc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877265 276085936 /nfs/dbraw/zinc/08/59/36/276085936.db2.gz AUJDQZSNQFWVKB-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000349697976 276100134 /nfs/dbraw/zinc/10/01/34/276100134.db2.gz WZRKGDNLGFRRTN-BZUAXINKSA-N 2 0 270.461 2.759 20 0 CFADRP CC1(C)CCC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261583419 276101533 /nfs/dbraw/zinc/10/15/33/276101533.db2.gz RSRGPIIINSLFRK-HUUCEWRRSA-N 2 0 250.430 2.744 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338302348 276106312 /nfs/dbraw/zinc/10/63/12/276106312.db2.gz DHWOQWWCXRZUSH-DLBZAZTESA-N 2 0 298.471 2.583 20 0 CFADRP CC1(C)[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)[C@@H]2CCCO[C@H]21 ZINC000373524061 276162945 /nfs/dbraw/zinc/16/29/45/276162945.db2.gz QSGRIYXAPYGAEI-IRKLFDGPSA-N 2 0 292.467 2.797 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC[NH2+]CC1 ZINC000414897357 276168561 /nfs/dbraw/zinc/16/85/61/276168561.db2.gz DTJMGTSGLSCQEJ-HUUCEWRRSA-N 2 0 250.430 2.935 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000134157520 276180303 /nfs/dbraw/zinc/18/03/03/276180303.db2.gz LJFXRDIIJNCMTA-GOEBONIOSA-N 2 0 250.430 2.910 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248427854 276180389 /nfs/dbraw/zinc/18/03/89/276180389.db2.gz QBDYQGVQBHZWNY-OKZBNKHCSA-N 2 0 294.483 2.805 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000375883822 276196902 /nfs/dbraw/zinc/19/69/02/276196902.db2.gz FANXEZPSUGRUJT-INIZCTEOSA-N 2 0 290.455 2.889 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000081095282 276214265 /nfs/dbraw/zinc/21/42/65/276214265.db2.gz ISXNMLGKLSBLKS-CZUORRHYSA-N 2 0 264.388 2.988 20 0 CFADRP CCC1(C)CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442880683 276215060 /nfs/dbraw/zinc/21/50/60/276215060.db2.gz XSNLFFDVTNDRJE-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCC(C)CC2)[C@H](C)C1 ZINC000355413936 276216820 /nfs/dbraw/zinc/21/68/20/276216820.db2.gz DGDHMXYLHSOWDA-JCCCHCCOSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@@H](C)C1 ZINC000266147518 276217211 /nfs/dbraw/zinc/21/72/11/276217211.db2.gz VZTPYWQMGIZCTF-GOEBONIOSA-N 2 0 275.440 2.573 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C)[C@@H](C)C1 ZINC000245412423 276225328 /nfs/dbraw/zinc/22/53/28/276225328.db2.gz AODBSZGXIGCHRK-RDJZCZTQSA-N 2 0 289.467 2.915 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@@H](C)C1 ZINC000421382341 276228745 /nfs/dbraw/zinc/22/87/45/276228745.db2.gz NAHHHNVFVTUNHH-KKUMJFAQSA-N 2 0 282.497 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000338792542 276228979 /nfs/dbraw/zinc/22/89/79/276228979.db2.gz SLCGUUCXYVFFMB-UUAJXVIYSA-N 2 0 282.472 2.900 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248590384 276247849 /nfs/dbraw/zinc/24/78/49/276247849.db2.gz YLDCXECLDWEKBH-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000352716858 276323363 /nfs/dbraw/zinc/32/33/63/276323363.db2.gz HWTWLJSWBPNNIM-DOTOQJQBSA-N 2 0 282.472 2.855 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000355122420 276331190 /nfs/dbraw/zinc/33/11/90/276331190.db2.gz JNCUQWLBVIJIBO-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(OC)CCCCC2)C1 ZINC000483279139 276334398 /nfs/dbraw/zinc/33/43/98/276334398.db2.gz GIMOZVVZFBVDLR-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1OC(F)F ZINC000414878774 276380314 /nfs/dbraw/zinc/38/03/14/276380314.db2.gz HJSVFJASTINQPJ-JTQLQIEISA-N 2 0 288.338 2.514 20 0 CFADRP CC[C@H](c1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345107 276645589 /nfs/dbraw/zinc/64/55/89/276645589.db2.gz YWIVHJAXWMIPHI-KURKYZTESA-N 2 0 288.435 2.966 20 0 CFADRP C([NH2+][C@H]1CCCC12CCOCC2)C1CC[NH+](C2CC2)CC1 ZINC000369513296 276816164 /nfs/dbraw/zinc/81/61/64/276816164.db2.gz ZQBYYQJHPBFMNQ-KRWDZBQOSA-N 2 0 292.467 2.800 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000423200507 277022911 /nfs/dbraw/zinc/02/29/11/277022911.db2.gz MGFARKOGWZKVOF-HNNXBMFYSA-N 2 0 250.386 2.591 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000268986220 277032049 /nfs/dbraw/zinc/03/20/49/277032049.db2.gz LNCGUASHUGBOPC-KRWDZBQOSA-N 2 0 288.435 2.500 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000182064247 277083060 /nfs/dbraw/zinc/08/30/60/277083060.db2.gz WEOUOBAZBCWNOK-ZDUSSCGKSA-N 2 0 289.423 2.637 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423271448 277083408 /nfs/dbraw/zinc/08/34/08/277083408.db2.gz HMKFOTYRAVVZPE-XGWLTEMNSA-N 2 0 289.423 2.813 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000070358646 277152202 /nfs/dbraw/zinc/15/22/02/277152202.db2.gz DXOSLRLLGSZAIC-CQSZACIVSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)[C@H]2CCC[C@@H]21 ZINC000453405147 277171923 /nfs/dbraw/zinc/17/19/23/277171923.db2.gz DXRUTJFEAVOPLG-WCVJEAGWSA-N 2 0 280.456 2.654 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340474991 277177857 /nfs/dbraw/zinc/17/78/57/277177857.db2.gz VBJHORITTWPNET-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP COC1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000446885147 277187337 /nfs/dbraw/zinc/18/73/37/277187337.db2.gz ULKCHQSEFXHQOE-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000248555444 277188101 /nfs/dbraw/zinc/18/81/01/277188101.db2.gz KMFAODSPRSOBIF-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423134311 277198578 /nfs/dbraw/zinc/19/85/78/277198578.db2.gz LVRWTEXAZDNTJS-JKSUJKDBSA-N 2 0 274.408 2.928 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000340444403 277198588 /nfs/dbraw/zinc/19/85/88/277198588.db2.gz LXHVDIYXUFJGHS-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246411349 277214931 /nfs/dbraw/zinc/21/49/31/277214931.db2.gz BNKFVUQUFMEWBG-HOCLYGCPSA-N 2 0 280.456 2.750 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000337491723 277237695 /nfs/dbraw/zinc/23/76/95/277237695.db2.gz WRXAMQZFLJUSFW-VGWMRTNUSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423209113 277268731 /nfs/dbraw/zinc/26/87/31/277268731.db2.gz ZQBKHPVGAWEOLE-NHYWBVRUSA-N 2 0 250.361 2.648 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537143 277282122 /nfs/dbraw/zinc/28/21/22/277282122.db2.gz JICUIEBCCDHLLN-WMLDXEAASA-N 2 0 274.408 2.662 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccccc1SC ZINC000423266165 277282503 /nfs/dbraw/zinc/28/25/03/277282503.db2.gz CYIUQMDSMGOUIM-RYUDHWBXSA-N 2 0 252.427 2.915 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423274911 277282698 /nfs/dbraw/zinc/28/26/98/277282698.db2.gz MNDYWRRBHZCBGY-BLLLJJGKSA-N 2 0 262.397 2.518 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000422716568 277303747 /nfs/dbraw/zinc/30/37/47/277303747.db2.gz UJTUFYDJCIEHPI-WFASDCNBSA-N 2 0 264.388 2.820 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359950979 277325960 /nfs/dbraw/zinc/32/59/60/277325960.db2.gz WUXLZXMTXKVVKT-XUWVNRHRSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000429056673 277351309 /nfs/dbraw/zinc/35/13/09/277351309.db2.gz SXGOJXMQEDJOIZ-ROUUACIJSA-N 2 0 295.515 2.913 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000089141271 277428838 /nfs/dbraw/zinc/42/88/38/277428838.db2.gz SCAKWQKTLAFHQT-ZENOOKHLSA-N 2 0 292.423 2.872 20 0 CFADRP COC1([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)CCCC1 ZINC000421852584 277474066 /nfs/dbraw/zinc/47/40/66/277474066.db2.gz HLTPBGVYUKJWSI-ZDUSSCGKSA-N 2 0 273.380 2.772 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000348288820 277567439 /nfs/dbraw/zinc/56/74/39/277567439.db2.gz KJBPJDYZEHJSQH-HLLBOEOZSA-N 2 0 281.488 2.569 20 0 CFADRP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)C1CCCC1 ZINC000446740378 277569356 /nfs/dbraw/zinc/56/93/56/277569356.db2.gz CUZYKFXRIATWKN-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C1 ZINC000414906644 277724096 /nfs/dbraw/zinc/72/40/96/277724096.db2.gz AETNKHCBWTYWHZ-XYVMCAHJSA-N 2 0 293.499 2.617 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422943660 277897910 /nfs/dbraw/zinc/89/79/10/277897910.db2.gz QXFCMSKDDZJLSI-FVQBIDKESA-N 2 0 292.398 2.845 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423245879 277935762 /nfs/dbraw/zinc/93/57/62/277935762.db2.gz YVRYNFXZAXXNFN-LBRJOISOSA-N 2 0 274.408 2.529 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423284968 277995408 /nfs/dbraw/zinc/99/54/08/277995408.db2.gz ZCCYPYLBXMEEIZ-DOMZBBRYSA-N 2 0 292.398 2.801 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423373523 277995887 /nfs/dbraw/zinc/99/58/87/277995887.db2.gz HCVJDJDEPVOIHY-GYSYKLTISA-N 2 0 278.371 2.552 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246801487 278002596 /nfs/dbraw/zinc/00/25/96/278002596.db2.gz ACDZZCIGLYUFTE-XWTMOSNGSA-N 3 0 295.515 2.817 20 0 CFADRP C[C@@H]1C[C@H](CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)CC[NH2+]1 ZINC000414867414 278011934 /nfs/dbraw/zinc/01/19/34/278011934.db2.gz INHWNPNWEWRUJQ-MGPQQGTHSA-N 2 0 291.414 2.512 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)C2 ZINC000414906694 278032284 /nfs/dbraw/zinc/03/22/84/278032284.db2.gz MKYYUDMGZGMYKC-QAPCUYQASA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346839722 278051784 /nfs/dbraw/zinc/05/17/84/278051784.db2.gz SQABMLBKJCLAEC-DOTOQJQBSA-N 2 0 288.435 2.702 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422770430 278145574 /nfs/dbraw/zinc/14/55/74/278145574.db2.gz WPUGEFBZZDMGJQ-IGQOVBAYSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415112856 278166115 /nfs/dbraw/zinc/16/61/15/278166115.db2.gz SNGSLQWWQNBODG-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP CS[C@H]1CN(c2cc[nH+]c(C)c2Cl)C[C@@H]1[NH+](C)C ZINC000355086424 278167877 /nfs/dbraw/zinc/16/78/77/278167877.db2.gz DCZLFZDYUCZKDK-RYUDHWBXSA-N 2 0 285.844 2.525 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCCc2ccccc21 ZINC000423015920 278169645 /nfs/dbraw/zinc/16/96/45/278169645.db2.gz LWSINPZUVCPCHJ-PBHICJAKSA-N 2 0 260.425 2.998 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000422922979 278169690 /nfs/dbraw/zinc/16/96/90/278169690.db2.gz UVVULAQWSDGHJV-IATRGZMQSA-N 2 0 262.397 2.657 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CCCCCC1 ZINC000471598823 278172256 /nfs/dbraw/zinc/17/22/56/278172256.db2.gz MEDBRQJKTAQMRV-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415016144 278201392 /nfs/dbraw/zinc/20/13/92/278201392.db2.gz ZUBYIGYTXIIPDS-LSDHHAIUSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCC1 ZINC000246783114 278210176 /nfs/dbraw/zinc/21/01/76/278210176.db2.gz CHKGIQFZZFWQKS-KLHDSHLOSA-N 2 0 280.456 2.512 20 0 CFADRP CC1(C)CCC[NH+](CC(O)C[N@H+]2CCCC(C)(C)C2)C1 ZINC000447258159 278214399 /nfs/dbraw/zinc/21/43/99/278214399.db2.gz SHGANHPLTQYKOA-UHFFFAOYSA-N 2 0 282.472 2.591 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423076344 278215845 /nfs/dbraw/zinc/21/58/45/278215845.db2.gz RBPPYIHAZOAKTL-BRWVUGGUSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000422794667 278216796 /nfs/dbraw/zinc/21/67/96/278216796.db2.gz ZCAJBJCZCZEEKY-YIDVYQOGSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423067583 278217935 /nfs/dbraw/zinc/21/79/35/278217935.db2.gz ZVFJGNBHPNDJAU-DAYGRLMNSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347061915 278225505 /nfs/dbraw/zinc/22/55/05/278225505.db2.gz ZFKUSJYVAPKYKK-MAUKXSAKSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000422926176 278227595 /nfs/dbraw/zinc/22/75/95/278227595.db2.gz CPYRMQQMBGSVCC-GWCFXTLKSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000358319767 278254609 /nfs/dbraw/zinc/25/46/09/278254609.db2.gz ONGZSXQORSRDAY-WBAXXEDZSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422945737 278309400 /nfs/dbraw/zinc/30/94/00/278309400.db2.gz NOTCSWQOFIKPCX-NEPJUHHUSA-N 2 0 291.370 2.739 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261596740 278317663 /nfs/dbraw/zinc/31/76/63/278317663.db2.gz QIWIDOVHRBAHIS-CJNGLKHVSA-N 2 0 269.392 2.794 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000423291325 278318946 /nfs/dbraw/zinc/31/89/46/278318946.db2.gz HWGXGILCCWVRQO-MLGOLLRUSA-N 2 0 284.407 2.607 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000423293489 278319113 /nfs/dbraw/zinc/31/91/13/278319113.db2.gz RNNSDEYYPNUUKZ-CHWSQXEVSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CCO)CC2)CC1 ZINC000363983429 278335395 /nfs/dbraw/zinc/33/53/95/278335395.db2.gz MLUMHBFPTYOMBJ-RDJZCZTQSA-N 2 0 294.483 2.782 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414855539 278341816 /nfs/dbraw/zinc/34/18/16/278341816.db2.gz WXHNHVMGXGFYHW-MRXNPFEDSA-N 2 0 281.488 2.747 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000334443300 278341902 /nfs/dbraw/zinc/34/19/02/278341902.db2.gz MDHBMFMIZIXCOC-OAHLLOKOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1nc2ccccc2n1C ZINC000423467161 278346249 /nfs/dbraw/zinc/34/62/49/278346249.db2.gz BFXVSQBDKCJWNS-ZIAGYGMSSA-N 2 0 286.423 2.756 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)[C@@H]1CCCC[NH2+]1 ZINC000423560615 278353943 /nfs/dbraw/zinc/35/39/43/278353943.db2.gz VFWFKMMGYHCBBT-MCIONIFRSA-N 2 0 268.470 2.640 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000119375308 278388122 /nfs/dbraw/zinc/38/81/22/278388122.db2.gz HJAFEZIBWVXOST-OAHLLOKOSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423452967 278506993 /nfs/dbraw/zinc/50/69/93/278506993.db2.gz ZTGXSOLKYNJRSZ-BIMQEMHKSA-N 2 0 270.420 2.898 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCCC[C@H]3[NH3+])CC2)C1 ZINC000424362709 278514877 /nfs/dbraw/zinc/51/48/77/278514877.db2.gz ASKCCFIKWPHUQI-BZZMCLGOSA-N 2 0 293.499 2.889 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc21 ZINC000269075972 278587739 /nfs/dbraw/zinc/58/77/39/278587739.db2.gz YJSGEKUHSMDAEX-RHSMWYFYSA-N 2 0 288.435 2.671 20 0 CFADRP Cc1c[nH+]ccc1NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000358943605 278617756 /nfs/dbraw/zinc/61/77/56/278617756.db2.gz DDVFKCGLJIIQBW-HUUCEWRRSA-N 2 0 275.440 2.982 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000423257279 278634678 /nfs/dbraw/zinc/63/46/78/278634678.db2.gz IMRJHJHJBSSAAJ-ZNMIVQPWSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000423112706 278889487 /nfs/dbraw/zinc/88/94/87/278889487.db2.gz KAQWASGUKWKDAC-ARKGTOAJSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccc3c2CCCN3)CC[NH2+]1 ZINC000415034019 278893968 /nfs/dbraw/zinc/89/39/68/278893968.db2.gz KPQUTOQUMAMGTR-KGLIPLIRSA-N 2 0 273.424 2.522 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000423249695 279002126 /nfs/dbraw/zinc/00/21/26/279002126.db2.gz PKYTUTSDMYVMBS-GDBMZVCRSA-N 2 0 261.413 2.758 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000365058323 279094551 /nfs/dbraw/zinc/09/45/51/279094551.db2.gz ZRUZDLNPYGCNNA-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000191814864 279095856 /nfs/dbraw/zinc/09/58/56/279095856.db2.gz NSQDYFVYOWAUAJ-SJLPKXTDSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000036907999 288103960 /nfs/dbraw/zinc/10/39/60/288103960.db2.gz WFTRNIMWEPNYCE-LMSBXDPUSA-N 2 0 289.467 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000061571134 279101562 /nfs/dbraw/zinc/10/15/62/279101562.db2.gz CCBPLLSGYFBUGV-UONOGXRCSA-N 2 0 258.475 2.982 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CC2(C)CCC2)CC1 ZINC000432823734 279107785 /nfs/dbraw/zinc/10/77/85/279107785.db2.gz LURBFFGNESJONF-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000349721152 279109257 /nfs/dbraw/zinc/10/92/57/279109257.db2.gz MHGFBWJWQQHORP-GOSISDBHSA-N 2 0 290.451 2.930 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422811675 279121387 /nfs/dbraw/zinc/12/13/87/279121387.db2.gz VCDUSEGUNXWAAS-WNRNVDISSA-N 2 0 296.499 2.932 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000411549648 279122815 /nfs/dbraw/zinc/12/28/15/279122815.db2.gz HXBUPHBZXDUDEG-JKSUJKDBSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422839829 279123201 /nfs/dbraw/zinc/12/32/01/279123201.db2.gz RMQPCVKEIZMWNC-YESZJQIVSA-N 3 0 281.488 2.619 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422726708 279165061 /nfs/dbraw/zinc/16/50/61/279165061.db2.gz AEWCTRYMOVPGKB-CGTJXYLNSA-N 2 0 289.467 2.657 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000442744992 279181320 /nfs/dbraw/zinc/18/13/20/279181320.db2.gz IQFPYTTVNDHVTR-VOAKCMCISA-N 2 0 278.400 2.709 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423116487 279254897 /nfs/dbraw/zinc/25/48/97/279254897.db2.gz QAGSBMMDRPJCGA-APIJFGDWSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000415018974 279255405 /nfs/dbraw/zinc/25/54/05/279255405.db2.gz VAQNIZCIXQJYJN-ABAIWWIYSA-N 2 0 266.816 2.914 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000423136406 279255622 /nfs/dbraw/zinc/25/56/22/279255622.db2.gz YXGMIEXMDUDIPC-UEKVPHQBSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423455663 279256649 /nfs/dbraw/zinc/25/66/49/279256649.db2.gz MXJGGRPUXADTJT-FIXISWKDSA-N 2 0 250.361 2.776 20 0 CFADRP CC[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000436310522 279262039 /nfs/dbraw/zinc/26/20/39/279262039.db2.gz RLPWADHOAJYQSZ-GOSISDBHSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423294229 279289536 /nfs/dbraw/zinc/28/95/36/279289536.db2.gz BKLUAHVCNBNWBK-NOZJJQNGSA-N 2 0 283.213 2.621 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423312966 279289681 /nfs/dbraw/zinc/28/96/81/279289681.db2.gz VWHBELZOSTVQRT-IAQYHMDHSA-N 2 0 257.381 2.730 20 0 CFADRP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335044969 279292397 /nfs/dbraw/zinc/29/23/97/279292397.db2.gz WGWWCSDXUFYKQY-LSDHHAIUSA-N 2 0 280.799 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCc2ccccc2OC1)C[NH+]1CCCC1 ZINC000493842897 279350987 /nfs/dbraw/zinc/35/09/87/279350987.db2.gz JHTYLKWQGUOASQ-NVXWUHKLSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422977113 279379580 /nfs/dbraw/zinc/37/95/80/279379580.db2.gz JMVONTAFQVIOCA-WQVCFCJDSA-N 2 0 262.397 2.573 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422914274 279384261 /nfs/dbraw/zinc/38/42/61/279384261.db2.gz SOLFYZDHGQXVMI-YJBOKZPZSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089800 279401918 /nfs/dbraw/zinc/40/19/18/279401918.db2.gz WATAFIRUAIGOIW-PGUXBMHVSA-N 2 0 250.361 2.919 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000422744503 279409443 /nfs/dbraw/zinc/40/94/43/279409443.db2.gz KECYFSOZQZNUML-DGADGQDISA-N 2 0 268.445 2.545 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423276081 279454511 /nfs/dbraw/zinc/45/45/11/279454511.db2.gz NWXNFHKGGHWNMD-ILXRZTDVSA-N 2 0 256.409 2.884 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CCSCC1 ZINC000187029000 279455526 /nfs/dbraw/zinc/45/55/26/279455526.db2.gz SCPZVMHNDRNXBJ-ZDUSSCGKSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1(C)CC1 ZINC000246332483 279455994 /nfs/dbraw/zinc/45/59/94/279455994.db2.gz GEVJAZFQPBWVQT-NUEKZKHPSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423128738 279489211 /nfs/dbraw/zinc/48/92/11/279489211.db2.gz DHMLGUIYXWHTIA-HJWJTTGWSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ncc(-c2ccccc2)n1C ZINC000423502221 279517938 /nfs/dbraw/zinc/51/79/38/279517938.db2.gz JVIGYYCMDNURCL-SQWLQELKSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@@H]1C[N@H+](CCCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000337173118 288157803 /nfs/dbraw/zinc/15/78/03/288157803.db2.gz GCGXGLGOYITODX-SJORKVTESA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCCCC2)C[C@@H](C)O1 ZINC000174315992 288159410 /nfs/dbraw/zinc/15/94/10/288159410.db2.gz QITDOEBPEOJEDF-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000422800097 279880392 /nfs/dbraw/zinc/88/03/92/279880392.db2.gz ASYYEUXBCRNOCF-FXUDXRNXSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]1CN(CC[NH2+]C(C)(C)C)c2cc(F)ccc2C[NH2+]1 ZINC000414876033 288176259 /nfs/dbraw/zinc/17/62/59/288176259.db2.gz VIDUFCXFFIKQBD-GFCCVEGCSA-N 2 0 279.403 2.512 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534601 280035837 /nfs/dbraw/zinc/03/58/37/280035837.db2.gz ALEXIEBRUCHBKE-GUYCJALGSA-N 2 0 256.393 2.819 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000453217610 280186146 /nfs/dbraw/zinc/18/61/46/280186146.db2.gz MHLDXZYOSPSEDO-QGZVFWFLSA-N 2 0 273.424 2.997 20 0 CFADRP CC(C)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000422969241 280254181 /nfs/dbraw/zinc/25/41/81/280254181.db2.gz ZHONJELJDXWQCK-JYJNAYRXSA-N 2 0 269.477 2.602 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000247999994 280278340 /nfs/dbraw/zinc/27/83/40/280278340.db2.gz KIGRPLGCBLLSCC-ZACQAIPSSA-N 2 0 295.515 2.959 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348061176 280325814 /nfs/dbraw/zinc/32/58/14/280325814.db2.gz IQQOHKQPUDWAJV-QXSJWSMHSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254190 280325892 /nfs/dbraw/zinc/32/58/92/280325892.db2.gz XLSDPYAFORXLRF-DOMZBBRYSA-N 2 0 265.376 2.507 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000093213380 280575280 /nfs/dbraw/zinc/57/52/80/280575280.db2.gz YEFXOQATQAZUMX-POSLAHMBSA-N 2 0 264.335 2.967 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000127070353 280660223 /nfs/dbraw/zinc/66/02/23/280660223.db2.gz VQYIBAZFORZIDF-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000354086294 280930869 /nfs/dbraw/zinc/93/08/69/280930869.db2.gz OLADLAAKGPMDEB-HNNXBMFYSA-N 2 0 296.455 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000246875411 281000182 /nfs/dbraw/zinc/00/01/82/281000182.db2.gz DSGCKJFMLHOANI-SJLPKXTDSA-N 2 0 272.436 2.939 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000246908082 281000933 /nfs/dbraw/zinc/00/09/33/281000933.db2.gz FPJLGXQRPHSIDP-OWCLPIDISA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000246908055 281000937 /nfs/dbraw/zinc/00/09/37/281000937.db2.gz FPJLGXQRPHSIDP-BZUAXINKSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000247033171 281003668 /nfs/dbraw/zinc/00/36/68/281003668.db2.gz MIBISIHUECXILT-XDNAFOTISA-N 3 0 295.515 2.959 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000247162707 281006202 /nfs/dbraw/zinc/00/62/02/281006202.db2.gz QQEPIAFVSVVQHZ-YJBOKZPZSA-N 3 0 289.467 2.568 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000247266232 281008696 /nfs/dbraw/zinc/00/86/96/281008696.db2.gz QTVLJTDWWKVKQH-FGTMMUONSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2C)[C@@H](C)C1 ZINC000247974935 281017617 /nfs/dbraw/zinc/01/76/17/281017617.db2.gz KPRHIKHGDJAYBQ-RDJZCZTQSA-N 2 0 260.425 2.857 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000247988011 281017834 /nfs/dbraw/zinc/01/78/34/281017834.db2.gz JBKTVSIIMSKZRG-YOEHRIQHSA-N 2 0 290.476 2.948 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000248159791 281018403 /nfs/dbraw/zinc/01/84/03/281018403.db2.gz RXOPQYWUWDCLQS-ZWKOTPCHSA-N 3 0 295.515 2.963 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1nccs1 ZINC000248491457 281024023 /nfs/dbraw/zinc/02/40/23/281024023.db2.gz ISJAVYZAHBNXFV-MROQNXINSA-N 2 0 267.442 2.565 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000248649631 281030947 /nfs/dbraw/zinc/03/09/47/281030947.db2.gz VUDZZUHGMIPTTH-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000248696055 281031576 /nfs/dbraw/zinc/03/15/76/281031576.db2.gz KWRSGTRUMWCZDI-HIFRSBDPSA-N 2 0 292.471 2.939 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250603337 281070090 /nfs/dbraw/zinc/07/00/90/281070090.db2.gz UGODYUURMNRUON-BRWVUGGUSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000251532665 281072420 /nfs/dbraw/zinc/07/24/20/281072420.db2.gz MYVQTWNRXLIVIC-CFVMTHIKSA-N 2 0 288.391 2.693 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252843900 281078057 /nfs/dbraw/zinc/07/80/57/281078057.db2.gz DISOTCFJPPCERY-CQDKDKBSSA-N 2 0 264.438 2.870 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261565600 281112098 /nfs/dbraw/zinc/11/20/98/281112098.db2.gz HTKRSRNVTMDAQH-HUUCEWRRSA-N 2 0 250.361 2.948 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)C2 ZINC000423374097 281124066 /nfs/dbraw/zinc/12/40/66/281124066.db2.gz HROFGZDALRINOK-TZDHZFECSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423399011 281124093 /nfs/dbraw/zinc/12/40/93/281124093.db2.gz PHJYGQZWBBLNCQ-KBRIMQKVSA-N 2 0 258.409 2.960 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)O1 ZINC000187307528 281128656 /nfs/dbraw/zinc/12/86/56/281128656.db2.gz XIHPCANEWVVFCP-DJIMGWMZSA-N 2 0 292.467 2.893 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1Cl ZINC000294908894 281140459 /nfs/dbraw/zinc/14/04/59/281140459.db2.gz GBKYPGBJYGJEHI-JSGCOSHPSA-N 2 0 296.842 2.963 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000305149668 281151192 /nfs/dbraw/zinc/15/11/92/281151192.db2.gz SXJVVXHFMHRBJN-QLFBSQMISA-N 2 0 270.461 2.636 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420256303 281170355 /nfs/dbraw/zinc/17/03/55/281170355.db2.gz IZONLCJHJKRMQK-KGLIPLIRSA-N 2 0 267.376 2.589 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CSC1(C)C ZINC000393860131 281193923 /nfs/dbraw/zinc/19/39/23/281193923.db2.gz FYEWZWXVXGCRPB-UPJWGTAASA-N 2 0 256.459 2.781 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397625351 281200575 /nfs/dbraw/zinc/20/05/75/281200575.db2.gz XUYYVIFQJWRDPT-INIZCTEOSA-N 3 0 289.467 2.616 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000422930479 281222532 /nfs/dbraw/zinc/22/25/32/281222532.db2.gz UOPUDOVKHUMEFU-JTQLQIEISA-N 2 0 288.313 2.988 20 0 CFADRP Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423009804 281223048 /nfs/dbraw/zinc/22/30/48/281223048.db2.gz DYOKHMYKRVVCLN-OKZBNKHCSA-N 2 0 287.451 2.833 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414677750 281249703 /nfs/dbraw/zinc/24/97/03/281249703.db2.gz JNKCZYXUBKPEDZ-HZPDHXFCSA-N 2 0 276.424 2.694 20 0 CFADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000459369651 281258727 /nfs/dbraw/zinc/25/87/27/281258727.db2.gz QQMBTSQREYIZDV-GOSISDBHSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](C2CC2)CC1 ZINC000459387339 281260429 /nfs/dbraw/zinc/26/04/29/281260429.db2.gz COWJJHMVZAJUOL-OAGGEKHMSA-N 2 0 293.499 2.569 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@H](C)O)C2)s1 ZINC000514942379 281289357 /nfs/dbraw/zinc/28/93/57/281289357.db2.gz YKCBZENZWVQKIX-DZGCQCFKSA-N 2 0 296.480 2.581 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000515828697 281298240 /nfs/dbraw/zinc/29/82/40/281298240.db2.gz ZLRDYDIRQASIMV-ZDUSSCGKSA-N 2 0 252.377 2.734 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000516423677 281303551 /nfs/dbraw/zinc/30/35/51/281303551.db2.gz LPZQLZRVTCXBPK-XWTMOSNGSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1cccc(CC[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000517562571 281307392 /nfs/dbraw/zinc/30/73/92/281307392.db2.gz UIZATPMFPSUIOO-UHFFFAOYSA-N 2 0 289.467 2.986 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420259906 281308556 /nfs/dbraw/zinc/30/85/56/281308556.db2.gz MYPUUWSJMQJSFI-CABCVRRESA-N 2 0 281.403 2.897 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420259907 281309024 /nfs/dbraw/zinc/30/90/24/281309024.db2.gz MYPUUWSJMQJSFI-GJZGRUSLSA-N 2 0 281.403 2.897 20 0 CFADRP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000527000186 281322966 /nfs/dbraw/zinc/32/29/66/281322966.db2.gz CAJOTUOUGMESEA-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP COC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000527361183 281330484 /nfs/dbraw/zinc/33/04/84/281330484.db2.gz QNCHBQOFHZUCHW-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+]1C1CCCCC1 ZINC000527751053 281346341 /nfs/dbraw/zinc/34/63/41/281346341.db2.gz FJIWQGRFVOJPDZ-CGTJXYLNSA-N 2 0 291.483 2.610 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423341150 281514110 /nfs/dbraw/zinc/51/41/10/281514110.db2.gz JZLPVVJBCIGABG-LBPRGKRZSA-N 2 0 277.437 2.592 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000542682994 281631003 /nfs/dbraw/zinc/63/10/03/281631003.db2.gz YVKBXUHDGVYFGM-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000543089104 281640474 /nfs/dbraw/zinc/64/04/74/281640474.db2.gz PBRHEGDKYNGLMG-AWEZNQCLSA-N 2 0 296.480 2.504 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@H](C)CC[NH+](C)C)c2c1 ZINC000546896727 281722535 /nfs/dbraw/zinc/72/25/35/281722535.db2.gz PQTGJEVOYCHRTI-CYBMUJFWSA-N 2 0 257.381 2.717 20 0 CFADRP CCCC(CCC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000552279561 281859751 /nfs/dbraw/zinc/85/97/51/281859751.db2.gz SGQMSCZCGLWWQI-UHFFFAOYSA-N 2 0 297.487 2.537 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000554735317 281902823 /nfs/dbraw/zinc/90/28/23/281902823.db2.gz VLJAIWUGDQMNIT-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP CC(C)[C@H]1CC[C@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000556871104 281951589 /nfs/dbraw/zinc/95/15/89/281951589.db2.gz SHIZYJPTJKVMSD-QZTJIDSGSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000558260953 281979249 /nfs/dbraw/zinc/97/92/49/281979249.db2.gz YXLICGUKQLWHDW-VYDXJSESSA-N 2 0 281.488 2.569 20 0 CFADRP C(CC[NH2+][C@H]1CCC12CCOCC2)CC[NH+]1CCCC1 ZINC000559891733 282011617 /nfs/dbraw/zinc/01/16/17/282011617.db2.gz SSOHMVDOCRUVSY-INIZCTEOSA-N 2 0 280.456 2.801 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)C3)c2)C1 ZINC000560187031 282017796 /nfs/dbraw/zinc/01/77/96/282017796.db2.gz AOVZRLQHXLFIFE-GASCZTMLSA-N 2 0 273.424 2.765 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)C(C)(C)CC)CC1 ZINC000560341412 282022099 /nfs/dbraw/zinc/02/20/99/282022099.db2.gz JWWGXIDILDUYNO-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CCCCC[C@H]2[NH3+])CCCCC1 ZINC000422750645 282044434 /nfs/dbraw/zinc/04/44/34/282044434.db2.gz DKXVDNIXCILEAZ-HUUCEWRRSA-N 2 0 267.461 2.501 20 0 CFADRP Cc1[nH+]c2ccccc2c(N2CC([NH+](C)C)C2)c1C ZINC000302114894 282072954 /nfs/dbraw/zinc/07/29/54/282072954.db2.gz CFTSSKANVAZFNI-UHFFFAOYSA-N 2 0 255.365 2.602 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000423473777 288756619 /nfs/dbraw/zinc/75/66/19/288756619.db2.gz OCDHCVCGAMVKBQ-NILFDRSVSA-N 2 0 278.444 2.688 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085128036 289118187 /nfs/dbraw/zinc/11/81/87/289118187.db2.gz VCHPPIVUBPTUJM-GHMZBOCLSA-N 2 0 252.324 2.649 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423399797 292733734 /nfs/dbraw/zinc/73/37/34/292733734.db2.gz VCKNTLOGBMPELK-WCFLWFBJSA-N 2 0 297.468 2.561 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423292820 289796578 /nfs/dbraw/zinc/79/65/78/289796578.db2.gz OPDPTYLNJSBPNW-UYHISHBKSA-N 2 0 281.403 2.941 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000247031477 289797228 /nfs/dbraw/zinc/79/72/28/289797228.db2.gz SBTWTWYWSGDJCA-ZCDTZLGTSA-N 2 0 287.407 2.566 20 0 CFADRP CC[C@@H](C)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000151912201 289834192 /nfs/dbraw/zinc/83/41/92/289834192.db2.gz NCBDYGOSYDUWSN-QGZVFWFLSA-N 2 0 289.467 2.582 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]CCC[NH+](C)C)C2CC2)cc1 ZINC000151969602 289835415 /nfs/dbraw/zinc/83/54/15/289835415.db2.gz BFZUPWYLNLUYOV-KRWDZBQOSA-N 2 0 260.425 2.857 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261596536 289874063 /nfs/dbraw/zinc/87/40/63/289874063.db2.gz KJJVLDBTEHOWGA-GVDBMIGSSA-N 3 0 293.499 2.619 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000154437699 289894949 /nfs/dbraw/zinc/89/49/49/289894949.db2.gz IFCVIYUDZOUNAC-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000562389288 290039824 /nfs/dbraw/zinc/03/98/24/290039824.db2.gz IZEBZBHPYXFOHK-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)C1CCC(F)(F)CC1 ZINC000423516941 290057867 /nfs/dbraw/zinc/05/78/67/290057867.db2.gz UGBOTVUQWFVUCA-GVXVVHGQSA-N 2 0 260.372 2.917 20 0 CFADRP C[C@H]1CC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000562933558 290083109 /nfs/dbraw/zinc/08/31/09/290083109.db2.gz RKKIIOBALJXIDD-KBPBESRZSA-N 2 0 289.423 2.596 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000562955530 290085118 /nfs/dbraw/zinc/08/51/18/290085118.db2.gz AGKQFLILIBLSLV-CZUORRHYSA-N 2 0 274.408 2.662 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000562958829 290085721 /nfs/dbraw/zinc/08/57/21/290085721.db2.gz ZJUZNUHFCVBOAA-OCCSQVGLSA-N 2 0 284.350 2.548 20 0 CFADRP COc1cccc2c1CC[C@@H]([NH2+]CCC[NH2+]C(C)C)C2 ZINC000562956389 290085877 /nfs/dbraw/zinc/08/58/77/290085877.db2.gz QZWBWQPYXKKDAI-OAHLLOKOSA-N 2 0 276.424 2.530 20 0 CFADRP c1cncc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC000563070533 290100099 /nfs/dbraw/zinc/10/00/99/290100099.db2.gz BNYDPDRPVZFDNS-QGZVFWFLSA-N 2 0 273.424 2.747 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000563135962 290107645 /nfs/dbraw/zinc/10/76/45/290107645.db2.gz PSOMYSFSVZZWJS-UWVGGRQHSA-N 2 0 255.431 2.656 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000563136221 290107700 /nfs/dbraw/zinc/10/77/00/290107700.db2.gz MTXFBAGCBKGHIZ-GOSISDBHSA-N 2 0 288.435 2.888 20 0 CFADRP c1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)nc1 ZINC000563216308 290119031 /nfs/dbraw/zinc/11/90/31/290119031.db2.gz XESOGXPSXBULAA-GDBMZVCRSA-N 2 0 259.397 2.608 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000563354420 290136611 /nfs/dbraw/zinc/13/66/11/290136611.db2.gz JIXFXPUGWLGJCS-HZPDHXFCSA-N 2 0 296.842 2.790 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422874978 290141354 /nfs/dbraw/zinc/14/13/54/290141354.db2.gz OJMLRUYFBZIULU-DZOHQFGASA-N 2 0 290.451 2.648 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000563452674 290153577 /nfs/dbraw/zinc/15/35/77/290153577.db2.gz YHRSXIIMQPNDNU-PWSUYJOCSA-N 2 0 265.426 2.628 20 0 CFADRP CC1CCC(O)(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000563806243 290175561 /nfs/dbraw/zinc/17/55/61/290175561.db2.gz YJHOMKUNFIAXNT-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1Cl ZINC000563898682 290182657 /nfs/dbraw/zinc/18/26/57/290182657.db2.gz OLDOBVLKWZBDJX-AGIUHOORSA-N 2 0 282.815 2.967 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000564086178 290191776 /nfs/dbraw/zinc/19/17/76/290191776.db2.gz VWXLUXGOYDOQEQ-WMZOPIPTSA-N 2 0 288.435 2.702 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000564319582 290202584 /nfs/dbraw/zinc/20/25/84/290202584.db2.gz XPOBHILZKPYYTK-ZFWWWQNUSA-N 2 0 266.454 2.999 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000564618270 290218097 /nfs/dbraw/zinc/21/80/97/290218097.db2.gz QHNVEYGYCWXMLF-UHFFFAOYSA-N 2 0 272.436 2.675 20 0 CFADRP C[NH+]1CCCC(C)(C)[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353603139 290219937 /nfs/dbraw/zinc/21/99/37/290219937.db2.gz GAJLIMOCMCSMJD-NXOAAHMSSA-N 2 0 293.499 2.569 20 0 CFADRP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000564649625 290220629 /nfs/dbraw/zinc/22/06/29/290220629.db2.gz FXEQYNGMMQODCT-GFCCVEGCSA-N 2 0 284.325 2.680 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000564741481 290228799 /nfs/dbraw/zinc/22/87/99/290228799.db2.gz TUBCXVURCYCYQW-HUUCEWRRSA-N 2 0 262.397 2.542 20 0 CFADRP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc21 ZINC000564791783 290232396 /nfs/dbraw/zinc/23/23/96/290232396.db2.gz FAIASDWNPWXQKK-IXDOHACOSA-N 2 0 298.434 2.584 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000564824682 290237430 /nfs/dbraw/zinc/23/74/30/290237430.db2.gz NUVFBPZGUBSXMB-KBPBESRZSA-N 2 0 264.413 2.827 20 0 CFADRP Cc1cnc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000564898655 290246581 /nfs/dbraw/zinc/24/65/81/290246581.db2.gz XCTCHAVKHDUEOC-INIZCTEOSA-N 2 0 275.440 2.515 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000564916233 290249358 /nfs/dbraw/zinc/24/93/58/290249358.db2.gz VEGDAFWPXWFNSS-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000564988691 290255275 /nfs/dbraw/zinc/25/52/75/290255275.db2.gz OEXRNUGJURBDCV-IRXDYDNUSA-N 2 0 298.434 2.695 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253184444 290265967 /nfs/dbraw/zinc/26/59/67/290265967.db2.gz HITCLMRVPBUOEP-JHJVBQTASA-N 2 0 250.361 2.803 20 0 CFADRP CCC[NH+](CC(O)C[N@@H+](CCC)C(C)C)C(C)C ZINC000565174794 290276549 /nfs/dbraw/zinc/27/65/49/290276549.db2.gz VUMGRVMAIHUHLW-UHFFFAOYSA-N 2 0 258.450 2.588 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC000565545033 290308963 /nfs/dbraw/zinc/30/89/63/290308963.db2.gz VAVXIVVPAJKNSZ-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000565710598 290318906 /nfs/dbraw/zinc/31/89/06/290318906.db2.gz XTLRJSFVURATOD-CQSZACIVSA-N 2 0 286.423 2.831 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)C1 ZINC000566020018 290342118 /nfs/dbraw/zinc/34/21/18/290342118.db2.gz ABBKARLXYCGWJA-RBSFLKMASA-N 2 0 291.414 2.654 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CCCCC2)n1 ZINC000566087953 290346383 /nfs/dbraw/zinc/34/63/83/290346383.db2.gz HODZWZSWZBLBKY-ZFWWWQNUSA-N 2 0 276.428 2.620 20 0 CFADRP c1c[nH]c([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CCCCC2)n1 ZINC000566087950 290346399 /nfs/dbraw/zinc/34/63/99/290346399.db2.gz HODZWZSWZBLBKY-DZGCQCFKSA-N 2 0 276.428 2.620 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1(O)CCCC1 ZINC000566106653 290348192 /nfs/dbraw/zinc/34/81/92/290348192.db2.gz WHVQZJWSTANFIQ-HNNXBMFYSA-N 2 0 268.445 2.536 20 0 CFADRP Cn1ccnc1[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000566414563 290380151 /nfs/dbraw/zinc/38/01/51/290380151.db2.gz PQWVTAWGEKNUQJ-AWEZNQCLSA-N 2 0 275.421 2.904 20 0 CFADRP Cn1cncc1CCC[N@H+](C)CCOc1ccccc1F ZINC000566418839 290381709 /nfs/dbraw/zinc/38/17/09/290381709.db2.gz LVBZENRRRKMJTA-UHFFFAOYSA-N 2 0 291.370 2.503 20 0 CFADRP C[C@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@@H]1C ZINC000178590873 290389475 /nfs/dbraw/zinc/38/94/75/290389475.db2.gz JLTZYQMEYQATQI-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000566473872 290390233 /nfs/dbraw/zinc/39/02/33/290390233.db2.gz DUPCKEOYJQMAKA-LSDHHAIUSA-N 2 0 290.455 2.948 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3n2)C1 ZINC000566480998 290392642 /nfs/dbraw/zinc/39/26/42/290392642.db2.gz DTFDUIVSGZSOFS-UONOGXRCSA-N 2 0 255.365 2.594 20 0 CFADRP CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000566732256 290413352 /nfs/dbraw/zinc/41/33/52/290413352.db2.gz PZYFQIVSDDZAMU-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566849979 290422040 /nfs/dbraw/zinc/42/20/40/290422040.db2.gz QEHSHIZRWWVSHP-XJKSGUPXSA-N 2 0 289.423 2.620 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000567029037 290433457 /nfs/dbraw/zinc/43/34/57/290433457.db2.gz ONCQTCNETIQSNQ-NIKGAXFTSA-N 2 0 297.446 2.960 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000567462475 290464925 /nfs/dbraw/zinc/46/49/25/290464925.db2.gz ARRYBIGBEOEMAL-ZIAGYGMSSA-N 2 0 256.434 2.559 20 0 CFADRP CC[NH2+]CCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000567639342 290480040 /nfs/dbraw/zinc/48/00/40/290480040.db2.gz JAZZMVRIZXOTQS-DOTOQJQBSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567915271 290504669 /nfs/dbraw/zinc/50/46/69/290504669.db2.gz MNQQJNGUOUDOAJ-AYIJCJCZSA-N 2 0 264.344 2.507 20 0 CFADRP CC(C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000568412881 290552973 /nfs/dbraw/zinc/55/29/73/290552973.db2.gz MJROUJAERBMDRV-IKGGRYGDSA-N 2 0 281.488 2.747 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568415053 290553409 /nfs/dbraw/zinc/55/34/09/290553409.db2.gz FELXFQVWCDMEAA-OAGGEKHMSA-N 2 0 288.435 2.975 20 0 CFADRP Cc1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192611542 292980261 /nfs/dbraw/zinc/98/02/61/292980261.db2.gz RTMZZFANGQJRAH-HNNXBMFYSA-N 2 0 259.397 2.845 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000358028761 293090611 /nfs/dbraw/zinc/09/06/11/293090611.db2.gz UMYIFBLASXPDHS-INIZCTEOSA-N 2 0 270.461 2.758 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000422707035 293097920 /nfs/dbraw/zinc/09/79/20/293097920.db2.gz GMYPKOHYIPJYRS-RDJZCZTQSA-N 2 0 276.424 2.790 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(Cl)c1 ZINC000423121365 293157184 /nfs/dbraw/zinc/15/71/84/293157184.db2.gz IMZUVCNTLCUMQL-MJVIPROJSA-N 2 0 270.804 2.743 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c(C)n1 ZINC000447555159 293603306 /nfs/dbraw/zinc/60/33/06/293603306.db2.gz CHNUKKPKFAVFLS-GFCCVEGCSA-N 2 0 288.439 2.618 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423315783 294482756 /nfs/dbraw/zinc/48/27/56/294482756.db2.gz AJGRYCIKGWFRIY-HOCLYGCPSA-N 2 0 276.424 2.742 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422946586 295101486 /nfs/dbraw/zinc/10/14/86/295101486.db2.gz PDBDOFLFRGIDRO-RHSMWYFYSA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000335536829 295223830 /nfs/dbraw/zinc/22/38/30/295223830.db2.gz UMQNGKKAELNNSW-ORHYLEIMSA-N 2 0 262.422 2.941 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)C(C)C)cc1 ZINC000422784422 295246091 /nfs/dbraw/zinc/24/60/91/295246091.db2.gz MAZTVOWQBZNESG-MLGOLLRUSA-N 2 0 262.397 2.590 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCC2CCCCC2)CC12CCOCC2 ZINC000414775773 295260380 /nfs/dbraw/zinc/26/03/80/295260380.db2.gz GTMYPRKMMZDMLT-MRXNPFEDSA-N 2 0 280.456 2.644 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000423428808 295275509 /nfs/dbraw/zinc/27/55/09/295275509.db2.gz RTPRZUOHXDDAPO-HSFUPAIVSA-N 2 0 294.483 2.936 20 0 CFADRP [NH3+]Cc1ccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cc1 ZINC000262107547 295277500 /nfs/dbraw/zinc/27/75/00/295277500.db2.gz WBUKWWQOFGUFFK-ZNMIVQPWSA-N 2 0 298.390 2.789 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422997454 295289249 /nfs/dbraw/zinc/28/92/49/295289249.db2.gz BFYUQZUJVOYTJE-PBHICJAKSA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000227475050 295313685 /nfs/dbraw/zinc/31/36/85/295313685.db2.gz WUYZILFXEAEDLC-QCNOEVLYSA-N 2 0 264.335 2.967 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000414810371 533694066 /nfs/dbraw/zinc/69/40/66/533694066.db2.gz VHHORRUGDBNWQB-GXTWGEPZSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414903948 298379115 /nfs/dbraw/zinc/37/91/15/298379115.db2.gz JDLVOYPKLDIPHV-MNOVXSKESA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000422965176 298390571 /nfs/dbraw/zinc/39/05/71/298390571.db2.gz KKPODMYBCPTPJO-WBVHZDCISA-N 2 0 292.467 2.896 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000422759080 298390689 /nfs/dbraw/zinc/39/06/89/298390689.db2.gz KTCNEQYSHMKVCG-HUUCEWRRSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000336839239 298398013 /nfs/dbraw/zinc/39/80/13/298398013.db2.gz OJPCBGNAOSMVHD-MRXNPFEDSA-N 3 0 281.488 2.892 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459776771 298416585 /nfs/dbraw/zinc/41/65/85/298416585.db2.gz XVOLLAMRQMWRDG-MCIONIFRSA-N 2 0 270.461 2.898 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000333339671 298893398 /nfs/dbraw/zinc/89/33/98/298893398.db2.gz XUBYOXWDTCFGCI-XJFOESAGSA-N 2 0 267.417 2.591 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174523 298983332 /nfs/dbraw/zinc/98/33/32/298983332.db2.gz CHLXYGRZRQWNRC-SOUVJXGZSA-N 2 0 282.472 2.935 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1Cl ZINC000422940014 533694810 /nfs/dbraw/zinc/69/48/10/533694810.db2.gz MWMXXPNCEFAMPY-VHSXEESVSA-N 2 0 256.777 2.564 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cnn1C(C)C ZINC000423239039 300991594 /nfs/dbraw/zinc/99/15/94/300991594.db2.gz VWGBRODPWOHZND-LMWSTFAQSA-N 2 0 264.417 2.693 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)n1 ZINC000334191746 302026908 /nfs/dbraw/zinc/02/69/08/302026908.db2.gz IPTSLYBTXXKGMG-HOTGVXAUSA-N 2 0 259.397 2.527 20 0 CFADRP Cc1c[nH+]ccc1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000335509317 302387117 /nfs/dbraw/zinc/38/71/17/302387117.db2.gz QQWOEIKTMITSRE-OAHLLOKOSA-N 2 0 259.397 2.558 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2c1cccc2F ZINC000423462410 303365066 /nfs/dbraw/zinc/36/50/66/303365066.db2.gz PEYVWPFFDNLMQM-AYSIUFTISA-N 2 0 274.383 2.919 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000415056232 303380290 /nfs/dbraw/zinc/38/02/90/303380290.db2.gz PPCZZAKRPVGXCX-PREGVCBESA-N 3 0 275.440 2.574 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422811513 303422063 /nfs/dbraw/zinc/42/20/63/303422063.db2.gz PBNDRGYSJFULDP-GDBMZVCRSA-N 2 0 258.409 2.825 20 0 CFADRP Clc1ccc(CCN[C@H]2CCC[NH2+]C2)cc1Cl ZINC000716248094 782067120 /nfs/dbraw/zinc/06/71/20/782067120.db2.gz QBZWBEGGMKKVPD-NSHDSACASA-N 2 0 273.207 2.878 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335242617 304858166 /nfs/dbraw/zinc/85/81/66/304858166.db2.gz TTXKRQMBKCSZBB-HIFRSBDPSA-N 2 0 260.381 2.632 20 0 CFADRP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335242619 304858477 /nfs/dbraw/zinc/85/84/77/304858477.db2.gz TTXKRQMBKCSZBB-UKRRQHHQSA-N 2 0 260.381 2.632 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000162546566 322366575 /nfs/dbraw/zinc/36/65/75/322366575.db2.gz FZVNVMPIHMGWFW-UHFFFAOYSA-N 2 0 288.435 2.905 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCOCC(F)(F)F ZINC000570035605 322510158 /nfs/dbraw/zinc/51/01/58/322510158.db2.gz LUKBQFRJUZGGHN-QWHCGFSZSA-N 2 0 296.377 2.856 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000570462288 322534001 /nfs/dbraw/zinc/53/40/01/322534001.db2.gz CRPYDUCVCBBKIS-DDWPSWQVSA-N 2 0 280.387 2.761 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+](C)C)C2)C1 ZINC000570582213 322540399 /nfs/dbraw/zinc/54/03/99/322540399.db2.gz ZJWWJNMECXWMNB-QRNKSROTSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000570708607 322547299 /nfs/dbraw/zinc/54/72/99/322547299.db2.gz FUEJNZQBNFZDSX-SWLSCSKDSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000571633513 322590289 /nfs/dbraw/zinc/59/02/89/322590289.db2.gz BKOXJSXLIUTGLW-UKRRQHHQSA-N 2 0 250.386 2.580 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)C1 ZINC000572060147 322605853 /nfs/dbraw/zinc/60/58/53/322605853.db2.gz SCUMJSFTGZPWJP-WCXIOVBPSA-N 2 0 274.408 2.624 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572541787 322622942 /nfs/dbraw/zinc/62/29/42/322622942.db2.gz JNIPRDNQSDHVRA-ARFHVFGLSA-N 2 0 276.424 2.930 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000572541790 322623110 /nfs/dbraw/zinc/62/31/10/322623110.db2.gz JNIPRDNQSDHVRA-XHSDSOJGSA-N 2 0 276.424 2.930 20 0 CFADRP COc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(C)c1 ZINC000572593354 322624346 /nfs/dbraw/zinc/62/43/46/322624346.db2.gz MGTQGQMFPAUVAC-UHFFFAOYSA-N 2 0 262.397 2.611 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000573545453 322660021 /nfs/dbraw/zinc/66/00/21/322660021.db2.gz DTKOXTCMSGCZLM-GOEBONIOSA-N 2 0 276.424 2.953 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC1(C)CC1 ZINC000574067547 322679672 /nfs/dbraw/zinc/67/96/72/322679672.db2.gz PDPSUSDNEASBCB-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000574501390 322694913 /nfs/dbraw/zinc/69/49/13/322694913.db2.gz CQYQYKDFXYXHNI-ZWNOBZJWSA-N 2 0 254.324 2.572 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000574777388 322705786 /nfs/dbraw/zinc/70/57/86/322705786.db2.gz NTUQVPUVIUCITF-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(F)F)cc1 ZINC000575367825 322725033 /nfs/dbraw/zinc/72/50/33/322725033.db2.gz HMSDIBMZZLNZPH-UHFFFAOYSA-N 2 0 299.409 2.549 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188351113 324013669 /nfs/dbraw/zinc/01/36/69/324013669.db2.gz CPQXKBFUSJBNQT-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP Cc1c[nH+]ccc1NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191977838 324056205 /nfs/dbraw/zinc/05/62/05/324056205.db2.gz NTDVDVKEQSSXHD-OKILXGFUSA-N 2 0 277.412 2.690 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000345164791 324134382 /nfs/dbraw/zinc/13/43/82/324134382.db2.gz XULDLUGEFHOHAJ-CVEARBPZSA-N 2 0 278.444 2.516 20 0 CFADRP CCc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000384008872 324442463 /nfs/dbraw/zinc/44/24/63/324442463.db2.gz ODGVIXCOZCGVAK-GFCCVEGCSA-N 2 0 252.427 2.932 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000576026645 324567634 /nfs/dbraw/zinc/56/76/34/324567634.db2.gz YZQNLGXOCCPPTD-HNNXBMFYSA-N 2 0 250.361 2.866 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000577094537 324695801 /nfs/dbraw/zinc/69/58/01/324695801.db2.gz MTUYHVUUSRONAJ-HNNXBMFYSA-N 2 0 265.376 2.507 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578237146 324831513 /nfs/dbraw/zinc/83/15/13/324831513.db2.gz BCXSIQQFAQAHGJ-MRXNPFEDSA-N 2 0 250.430 2.888 20 0 CFADRP CC1=CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000579213632 324931020 /nfs/dbraw/zinc/93/10/20/324931020.db2.gz NPESHDKYGGYSFT-RYQLBKOJSA-N 2 0 292.467 2.843 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000580330113 325027088 /nfs/dbraw/zinc/02/70/88/325027088.db2.gz YTOKPGLGHWVPOM-INIZCTEOSA-N 2 0 289.423 2.527 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000580330114 325027282 /nfs/dbraw/zinc/02/72/82/325027282.db2.gz YTOKPGLGHWVPOM-MRXNPFEDSA-N 2 0 289.423 2.527 20 0 CFADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CCOCC[NH+](C)C ZINC000580400288 325032031 /nfs/dbraw/zinc/03/20/31/325032031.db2.gz MRMUNIQVVCWIGX-QGZVFWFLSA-N 2 0 290.451 2.849 20 0 CFADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000580420995 325033654 /nfs/dbraw/zinc/03/36/54/325033654.db2.gz VFGLDTVJMWWLQO-CQSZACIVSA-N 2 0 298.434 2.831 20 0 CFADRP CC(C)[N@H+](CCC1CC[NH2+]CC1)Cc1ccccn1 ZINC000580569609 325047969 /nfs/dbraw/zinc/04/79/69/325047969.db2.gz XOVFCDKAOVHQOS-UHFFFAOYSA-N 2 0 261.413 2.682 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1F ZINC000580708342 325057769 /nfs/dbraw/zinc/05/77/69/325057769.db2.gz YNUZNDFKJYGJRA-HNNXBMFYSA-N 2 0 286.366 2.584 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCc1cccs1 ZINC000580768435 325061877 /nfs/dbraw/zinc/06/18/77/325061877.db2.gz DYOIAISRRFDNFO-ZIAGYGMSSA-N 2 0 252.427 2.930 20 0 CFADRP F[C@@]1(c2ccccc2)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000580774077 325062741 /nfs/dbraw/zinc/06/27/41/325062741.db2.gz MCHNTTMXJSQEJN-INIZCTEOSA-N 2 0 262.372 2.557 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000580883733 325071610 /nfs/dbraw/zinc/07/16/10/325071610.db2.gz AABSYPAOKDTYPB-OAHLLOKOSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581119307 325092397 /nfs/dbraw/zinc/09/23/97/325092397.db2.gz MWIWVRWNUXGJCE-YRGRVCCFSA-N 2 0 252.427 2.786 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000581337230 325112159 /nfs/dbraw/zinc/11/21/59/325112159.db2.gz ARPPSAFLWHWXFK-JYJNAYRXSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CCO2 ZINC000581423586 325120131 /nfs/dbraw/zinc/12/01/31/325120131.db2.gz HTQYUUGKFGRMRR-RCBQFDQVSA-N 2 0 290.407 2.626 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000581498715 325127578 /nfs/dbraw/zinc/12/75/78/325127578.db2.gz HXIVDFRVMKCEAF-KBPBESRZSA-N 2 0 274.408 2.586 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581535969 325129634 /nfs/dbraw/zinc/12/96/34/325129634.db2.gz DYRAXDOVRHYPDG-IIAWOOMASA-N 2 0 276.424 2.691 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)CC(C)C ZINC000581559430 325133063 /nfs/dbraw/zinc/13/30/63/325133063.db2.gz ZLPYLVZYRQJUMK-JYJNAYRXSA-N 2 0 269.477 2.602 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc2c(s1)CCCC2 ZINC000581720397 325145262 /nfs/dbraw/zinc/14/52/62/325145262.db2.gz RBXWVUBBUUUJQZ-NSHDSACASA-N 2 0 252.427 2.844 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(-n3cccn3)c2)C1 ZINC000581753253 325148184 /nfs/dbraw/zinc/14/81/84/325148184.db2.gz PHFSPCVNLJUUSV-QGZVFWFLSA-N 2 0 298.434 2.692 20 0 CFADRP Cc1cnccc1CC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000582238629 325188545 /nfs/dbraw/zinc/18/85/45/325188545.db2.gz MHECFGFEOHERKJ-OAHLLOKOSA-N 2 0 264.413 2.661 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582288719 325192501 /nfs/dbraw/zinc/19/25/01/325192501.db2.gz NDWOKWKQEJRLSR-CZUORRHYSA-N 2 0 299.418 2.851 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000583392127 325284399 /nfs/dbraw/zinc/28/43/99/325284399.db2.gz VKTJWOGNYKIUQX-DTZQCDIJSA-N 2 0 262.372 2.931 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000583428399 325286678 /nfs/dbraw/zinc/28/66/78/325286678.db2.gz FSABNJAZAXXGLD-YPMHNXCESA-N 2 0 252.427 2.843 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@H]1NCc1cc2c(s1)CCCC2 ZINC000584285567 325343479 /nfs/dbraw/zinc/34/34/79/325343479.db2.gz KJJWSFBPKAUVIZ-BXUZGUMPSA-N 2 0 264.438 2.715 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1Cl ZINC000415030379 533722513 /nfs/dbraw/zinc/72/25/13/533722513.db2.gz FUJMBCGMMFPZKS-WCQYABFASA-N 2 0 252.789 2.865 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc2cccnc12 ZINC000415051390 533737523 /nfs/dbraw/zinc/73/75/23/533737523.db2.gz ZIXJFROCWMBLLF-BBRMVZONSA-N 2 0 269.392 2.760 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423178235 533756681 /nfs/dbraw/zinc/75/66/81/533756681.db2.gz IDQOSZGTAJGQBM-KCMWZYNZSA-N 2 0 288.435 2.919 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423301507 533773890 /nfs/dbraw/zinc/77/38/90/533773890.db2.gz UBHPFIBNNGWKNR-HZMBPMFUSA-N 2 0 252.789 2.976 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414884663 533771434 /nfs/dbraw/zinc/77/14/34/533771434.db2.gz VZMGAIFUBJFXRJ-QWRGUYRKSA-N 2 0 274.330 2.821 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422725906 533785079 /nfs/dbraw/zinc/78/50/79/533785079.db2.gz CMIQMVYHIPUMLS-HLLBOEOZSA-N 2 0 289.467 2.703 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCCc2ccccc2)CC[NH2+]1 ZINC000414676027 533835845 /nfs/dbraw/zinc/83/58/45/533835845.db2.gz MSTNIGJCCVHZAW-NVXWUHKLSA-N 2 0 260.425 2.939 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422850700 533836525 /nfs/dbraw/zinc/83/65/25/533836525.db2.gz DHLFEMPERBLBAV-MNOVXSKESA-N 2 0 270.417 2.904 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](CC2CC2)CC2CCC2)CC[NH2+]1 ZINC000414764125 533839665 /nfs/dbraw/zinc/83/96/65/533839665.db2.gz NYJXERDHAWGMGS-CZUORRHYSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423573623 533840637 /nfs/dbraw/zinc/84/06/37/533840637.db2.gz ZFUQXXQUQVILCS-NSHDSACASA-N 2 0 266.335 2.925 20 0 CFADRP C[C@H]([NH2+]CCCCOc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414822619 533844950 /nfs/dbraw/zinc/84/49/50/533844950.db2.gz NHDHLBWADKNIFT-JKSUJKDBSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000423059960 533846073 /nfs/dbraw/zinc/84/60/73/533846073.db2.gz GZAUPOGQIAQTCW-FRRDWIJNSA-N 2 0 296.377 2.577 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000423175122 533847336 /nfs/dbraw/zinc/84/73/36/533847336.db2.gz DBYXRLGVBPLEAL-JTQLQIEISA-N 2 0 276.302 2.627 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422769900 533844493 /nfs/dbraw/zinc/84/44/93/533844493.db2.gz UJPBYYROUDKHQQ-CABCVRRESA-N 2 0 275.440 2.545 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422769685 533844790 /nfs/dbraw/zinc/84/47/90/533844790.db2.gz WATSXOBYHXRHIZ-GFCCVEGCSA-N 2 0 277.387 2.957 20 0 CFADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc2ccccc21 ZINC000423174815 533848439 /nfs/dbraw/zinc/84/84/39/533848439.db2.gz CBJRVZQJAQYCAM-INIZCTEOSA-N 2 0 297.446 2.786 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422868015 533850317 /nfs/dbraw/zinc/85/03/17/533850317.db2.gz UHNLXJSEBRYUMX-CHWSQXEVSA-N 2 0 297.393 2.651 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422769486 533860910 /nfs/dbraw/zinc/86/09/10/533860910.db2.gz SZZHRLPKKSCRTA-NXEZZACHSA-N 2 0 256.777 2.564 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422769489 533861247 /nfs/dbraw/zinc/86/12/47/533861247.db2.gz SZZHRLPKKSCRTA-VHSXEESVSA-N 2 0 256.777 2.564 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423238678 533865440 /nfs/dbraw/zinc/86/54/40/533865440.db2.gz ANUVJRYTPPEYGE-UONOGXRCSA-N 2 0 258.409 2.826 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423239206 533868175 /nfs/dbraw/zinc/86/81/75/533868175.db2.gz AYMMRFGPZRICRM-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422964200 533871608 /nfs/dbraw/zinc/87/16/08/533871608.db2.gz KREYMFLHMWZGHK-CYBMUJFWSA-N 2 0 277.412 2.620 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422968051 533872217 /nfs/dbraw/zinc/87/22/17/533872217.db2.gz VFBZJQXRRLHWET-CYBMUJFWSA-N 2 0 277.412 2.620 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCN3)CC[NH2+]1 ZINC000414980166 533872561 /nfs/dbraw/zinc/87/25/61/533872561.db2.gz PFKXXVWXWGEJJT-UKRRQHHQSA-N 2 0 273.424 2.522 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422951083 533872958 /nfs/dbraw/zinc/87/29/58/533872958.db2.gz XKWGIQSCBJGYSR-PXAZEXFGSA-N 2 0 290.407 2.626 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777248 533878327 /nfs/dbraw/zinc/87/83/27/533878327.db2.gz HVOYVKMWEHUEIA-GDBMZVCRSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000423111812 533881655 /nfs/dbraw/zinc/88/16/55/533881655.db2.gz JIFOUSNUXZCQLG-YNEHKIRRSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422770792 533883090 /nfs/dbraw/zinc/88/30/90/533883090.db2.gz XGWFLSZAKRDJNS-BYNSBNAKSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422770798 533883539 /nfs/dbraw/zinc/88/35/39/533883539.db2.gz XGWFLSZAKRDJNS-ZQDZILKHSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414883642 533901338 /nfs/dbraw/zinc/90/13/38/533901338.db2.gz NDGRBXWTUUERJV-CYBMUJFWSA-N 2 0 262.397 2.835 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000414901901 533899241 /nfs/dbraw/zinc/89/92/41/533899241.db2.gz XUWGQXHLCGTATD-LLVKDONJSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]CCCCCOc1ccccc1 ZINC000414896071 533899497 /nfs/dbraw/zinc/89/94/97/533899497.db2.gz OCCMFXWFPSANPL-CQSZACIVSA-N 2 0 250.386 2.563 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414874903 533899516 /nfs/dbraw/zinc/89/95/16/533899516.db2.gz BHFZQGUJNCGTGO-SNVBAGLBSA-N 2 0 278.787 2.557 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000414895180 533900164 /nfs/dbraw/zinc/90/01/64/533900164.db2.gz MSOYJMJVWJLDGJ-ZCFIWIBFSA-N 2 0 297.649 2.991 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1SC ZINC000415042846 533900228 /nfs/dbraw/zinc/90/02/28/533900228.db2.gz RILISMZXXMVVDI-DGCLKSJQSA-N 2 0 280.437 2.634 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000414860457 533919849 /nfs/dbraw/zinc/91/98/49/533919849.db2.gz VNQXRTMCLQCPFT-UWVGGRQHSA-N 2 0 258.818 2.879 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000414857164 533927927 /nfs/dbraw/zinc/92/79/27/533927927.db2.gz PAUKTXFFTXCNDV-AAEUAGOBSA-N 2 0 252.789 2.818 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422726343 533972214 /nfs/dbraw/zinc/97/22/14/533972214.db2.gz DQCOXHJFOPTLPK-UWVGGRQHSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC(C)(C)[NH3+] ZINC000423283287 533982564 /nfs/dbraw/zinc/98/25/64/533982564.db2.gz FDXHZLLQXVCGLR-SNVBAGLBSA-N 2 0 256.340 2.613 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425347104 533990218 /nfs/dbraw/zinc/99/02/18/533990218.db2.gz XGTUDZHAJXMIAJ-IXDOHACOSA-N 2 0 290.476 2.992 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000425363189 533997978 /nfs/dbraw/zinc/99/79/78/533997978.db2.gz WECUVAYIXWLTGV-NWINJMCUSA-N 2 0 256.459 2.590 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422840477 534001877 /nfs/dbraw/zinc/00/18/77/534001877.db2.gz BOCLRNMRGYGVFZ-CVEARBPZSA-N 2 0 288.435 2.976 20 0 CFADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414748464 534003326 /nfs/dbraw/zinc/00/33/26/534003326.db2.gz WOVPQWMKANMYAS-PNBKFKSVSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2F)C1)C1C[NH2+]C1 ZINC000423093560 534010914 /nfs/dbraw/zinc/01/09/14/534010914.db2.gz HYZZFPRFZAKEQP-SCRDCRAPSA-N 2 0 262.372 2.659 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]CCCc1c(F)cccc1Cl ZINC000414871051 534048019 /nfs/dbraw/zinc/04/80/19/534048019.db2.gz CRGGSFAEXUSWMT-SNVBAGLBSA-N 2 0 258.768 2.596 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000414828233 534056510 /nfs/dbraw/zinc/05/65/10/534056510.db2.gz IMRKMUDATNISIK-QWHCGFSZSA-N 2 0 250.361 2.518 20 0 CFADRP C[C@@H](C[NH2+]CC1([NH3+])CCCCC1)CC1CCOCC1 ZINC000414836241 534057580 /nfs/dbraw/zinc/05/75/80/534057580.db2.gz FNOFADGLEPTHDT-CQSZACIVSA-N 2 0 268.445 2.690 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723187 534071791 /nfs/dbraw/zinc/07/17/91/534071791.db2.gz ZUUZUFJWHSKWJB-IAGOWNOFSA-N 3 0 281.488 2.620 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(OCC2CC2)c1 ZINC000422868416 534088503 /nfs/dbraw/zinc/08/85/03/534088503.db2.gz VBKVREZNVMTHON-UONOGXRCSA-N 2 0 276.424 2.999 20 0 CFADRP Cc1ccc(CSCC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422758458 534105251 /nfs/dbraw/zinc/10/52/51/534105251.db2.gz DVZOQLXSUZHAPA-HOTGVXAUSA-N 2 0 278.465 2.945 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000425361917 534114989 /nfs/dbraw/zinc/11/49/89/534114989.db2.gz SVHAJMCHGWEKPQ-CVEARBPZSA-N 2 0 278.465 2.992 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000423132808 534175741 /nfs/dbraw/zinc/17/57/41/534175741.db2.gz UYNXSUNXTLMPST-DZGCQCFKSA-N 2 0 264.388 2.817 20 0 CFADRP C[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCC[NH2+]C1 ZINC000414902116 534175958 /nfs/dbraw/zinc/17/59/58/534175958.db2.gz KJKDSQUPMATHLG-KRWDZBQOSA-N 2 0 284.407 2.556 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423126141 534177293 /nfs/dbraw/zinc/17/72/93/534177293.db2.gz OGEKNRHOLMFFGP-DARAHFNDSA-N 2 0 276.424 2.948 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc2c[nH+]cn2c1 ZINC000423167924 534202805 /nfs/dbraw/zinc/20/28/05/534202805.db2.gz GBMYTODHMZCPFN-HOCLYGCPSA-N 2 0 286.423 2.735 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])s2)o1 ZINC000414801107 534219030 /nfs/dbraw/zinc/21/90/30/534219030.db2.gz TUWFFAGXYOKRQI-YPMHNXCESA-N 2 0 291.420 2.929 20 0 CFADRP CCc1cnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000446886602 536050630 /nfs/dbraw/zinc/05/06/30/536050630.db2.gz HLJONKBLGORNKI-UHFFFAOYSA-N 2 0 279.453 2.670 20 0 CFADRP [NH3+]CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423177895 518197338 /nfs/dbraw/zinc/19/73/38/518197338.db2.gz BEGDBLFJYXRJFQ-ZDUSSCGKSA-N 2 0 283.213 2.765 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423282089 534338895 /nfs/dbraw/zinc/33/88/95/534338895.db2.gz UVUMNLKBFIBHKF-DMDPSCGWSA-N 2 0 296.436 2.703 20 0 CFADRP C(CC[NH+]1CCOCC1)C[NH2+]CCC1CCCCC1 ZINC000361544422 518384058 /nfs/dbraw/zinc/38/40/58/518384058.db2.gz VBQNAIDAPOELIQ-UHFFFAOYSA-N 2 0 268.445 2.659 20 0 CFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCOCC[NH+](C)C ZINC000354203123 518412601 /nfs/dbraw/zinc/41/26/01/518412601.db2.gz GPGAWQFGSGQKCG-OWBHPGMISA-N 2 0 296.842 2.911 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)CC3 ZINC000414804879 534369855 /nfs/dbraw/zinc/36/98/55/534369855.db2.gz YAJBHJUIMLDLNM-CJNGLKHVSA-N 2 0 285.435 2.907 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000157344838 519228680 /nfs/dbraw/zinc/22/86/80/519228680.db2.gz CGTGEEGXEJCXNW-MRXNPFEDSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000339389215 519229664 /nfs/dbraw/zinc/22/96/64/519229664.db2.gz DSGIGFZWJOXVML-GFCCVEGCSA-N 2 0 280.416 2.567 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423276083 534431727 /nfs/dbraw/zinc/43/17/27/534431727.db2.gz NWXNFHKGGHWNMD-QLFBSQMISA-N 2 0 256.409 2.884 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423142861 534436918 /nfs/dbraw/zinc/43/69/18/534436918.db2.gz BLLYXSBMCZUAPG-XLWJZTARSA-N 2 0 254.393 2.777 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000414915006 534441458 /nfs/dbraw/zinc/44/14/58/534441458.db2.gz LSCINHQSQWGILW-LLVKDONJSA-N 2 0 288.313 2.659 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414832153 534442073 /nfs/dbraw/zinc/44/20/73/534442073.db2.gz DYCGYSIHERHHSQ-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2C[C@@H](CO)c3ccccc32)CC1 ZINC000364951335 519672918 /nfs/dbraw/zinc/67/29/18/519672918.db2.gz GAFSYJOZOBALSD-KBXCAEBGSA-N 2 0 288.435 2.670 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000052377433 519747524 /nfs/dbraw/zinc/74/75/24/519747524.db2.gz IETCHUHRCZEORV-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000312888683 519749118 /nfs/dbraw/zinc/74/91/18/519749118.db2.gz HVWBMRYIALDZGI-OLZOCXBDSA-N 2 0 277.412 2.813 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000224965482 519760996 /nfs/dbraw/zinc/76/09/96/519760996.db2.gz SZJHTSQLTZTYCG-HZPDHXFCSA-N 2 0 262.397 2.926 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C1(C)C ZINC000085401309 519762073 /nfs/dbraw/zinc/76/20/73/519762073.db2.gz UBLMRHMWNNDPEF-HOTGVXAUSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC000070361852 519805033 /nfs/dbraw/zinc/80/50/33/519805033.db2.gz DMGPUGXXYQZIMD-PMPSAXMXSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000070346230 519805066 /nfs/dbraw/zinc/80/50/66/519805066.db2.gz AUOTXTLUEXACII-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)C2CCOCC2)CC1 ZINC000360241381 519847308 /nfs/dbraw/zinc/84/73/08/519847308.db2.gz ZZUNUYDWFQEUKB-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671644 519847541 /nfs/dbraw/zinc/84/75/41/519847541.db2.gz OTLMVAIHUQNDRN-OAGGEKHMSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000422957817 534451575 /nfs/dbraw/zinc/45/15/75/534451575.db2.gz OEHYSUCCXPUBDZ-KJFZJZGVSA-N 2 0 256.393 2.855 20 0 CFADRP c1cc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2)ccn1 ZINC000422775046 534464676 /nfs/dbraw/zinc/46/46/76/534464676.db2.gz ZOWPOSGGNIRYBV-SFHVURJKSA-N 2 0 281.403 2.980 20 0 CFADRP Cc1ccc2cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc2n1 ZINC000097862675 534465862 /nfs/dbraw/zinc/46/58/62/534465862.db2.gz PUKVMESXXVJASQ-UHFFFAOYSA-N 2 0 271.408 2.960 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934968 520139110 /nfs/dbraw/zinc/13/91/10/520139110.db2.gz RJRBEAXPQQYSBK-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000085398476 520425131 /nfs/dbraw/zinc/42/51/31/520425131.db2.gz MRBPSQCXHNQIFZ-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CCCC[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000191391293 520476098 /nfs/dbraw/zinc/47/60/98/520476098.db2.gz BPNUKVIZOFVPFP-UHFFFAOYSA-N 2 0 269.477 2.525 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337988886 520502615 /nfs/dbraw/zinc/50/26/15/520502615.db2.gz OYOHBQKABXNPMT-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000338545924 520587088 /nfs/dbraw/zinc/58/70/88/520587088.db2.gz DOYSLDQPZSNYIV-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000365191378 520608406 /nfs/dbraw/zinc/60/84/06/520608406.db2.gz ROLSWZJWIFCDQW-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173872780 520633311 /nfs/dbraw/zinc/63/33/11/520633311.db2.gz GNWOMDGYLWRQLR-INIZCTEOSA-N 2 0 296.455 2.528 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000336711913 520636483 /nfs/dbraw/zinc/63/64/83/520636483.db2.gz PZHVYEASRWGGHZ-HZSPNIEDSA-N 2 0 258.475 2.838 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127698309 520636605 /nfs/dbraw/zinc/63/66/05/520636605.db2.gz FMZNNOLZLIKKLO-GVDBMIGSSA-N 3 0 281.488 2.713 20 0 CFADRP CCOc1cc(C[NH2+]CCCC[NH+](C)C)ccc1OC ZINC000045598408 520711228 /nfs/dbraw/zinc/71/12/28/520711228.db2.gz KIOCIKNWSQZQHH-UHFFFAOYSA-N 2 0 280.412 2.525 20 0 CFADRP CCN(CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000162842482 521024134 /nfs/dbraw/zinc/02/41/34/521024134.db2.gz ASUNIVRTUQPCBO-WMZOPIPTSA-N 2 0 289.467 2.833 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000165313321 521057200 /nfs/dbraw/zinc/05/72/00/521057200.db2.gz LXILDIFFKQRKGI-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CCC(=O)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000232868724 521073039 /nfs/dbraw/zinc/07/30/39/521073039.db2.gz MQCVHDHJVOEJPE-UHFFFAOYSA-N 2 0 266.429 2.554 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000311015619 521261186 /nfs/dbraw/zinc/26/11/86/521261186.db2.gz KSIGFHDDDQHMKW-STQMWFEESA-N 2 0 250.386 2.863 20 0 CFADRP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000340700136 521275040 /nfs/dbraw/zinc/27/50/40/521275040.db2.gz BAHSRXUCOPVCMH-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP CCC(CC)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336842098 521522897 /nfs/dbraw/zinc/52/28/97/521522897.db2.gz RAEIWROEDFHSLH-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]C1CCC(O)CC1)[NH+]1CCCC1 ZINC000353442932 521604179 /nfs/dbraw/zinc/60/41/79/521604179.db2.gz DNWNZORQCNEHTR-OFLPRAFFSA-N 2 0 282.472 2.780 20 0 CFADRP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357376107 521644109 /nfs/dbraw/zinc/64/41/09/521644109.db2.gz OQNFLTTXNHTAES-MRXNPFEDSA-N 2 0 297.487 2.619 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)[C@@H](C)C1 ZINC000358041786 521708005 /nfs/dbraw/zinc/70/80/05/521708005.db2.gz VAKNISLNIYIAKX-ULQDDVLXSA-N 2 0 280.456 2.822 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(C)c2)C1 ZINC000050545524 521710835 /nfs/dbraw/zinc/71/08/35/521710835.db2.gz MHELJVMYQKACQK-AWEZNQCLSA-N 2 0 250.361 2.566 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2N(C)C)C1 ZINC000246454502 521711364 /nfs/dbraw/zinc/71/13/64/521711364.db2.gz NVZLHGZTPNLKGI-CABCVRRESA-N 2 0 275.440 2.745 20 0 CFADRP CC[N@@H+]1CCc2c(cccc2N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000367951632 521724821 /nfs/dbraw/zinc/72/48/21/521724821.db2.gz RRCYLENCWQUHDX-GDBMZVCRSA-N 2 0 287.451 2.959 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000190969983 521877825 /nfs/dbraw/zinc/87/78/25/521877825.db2.gz IUXQDLKBACOSSC-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP C[NH+](C)[C@@H](CNC(=O)CCCCCC[NH3+])C1CCCCC1 ZINC000164955826 522012429 /nfs/dbraw/zinc/01/24/29/522012429.db2.gz WMBLICYHULOYGF-INIZCTEOSA-N 2 0 297.487 2.522 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423316004 534605467 /nfs/dbraw/zinc/60/54/67/534605467.db2.gz BKNPBJOVAJQHME-BBRMVZONSA-N 2 0 280.387 2.622 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000414911849 534606181 /nfs/dbraw/zinc/60/61/81/534606181.db2.gz TYHXWPCWQAYHAT-UHFFFAOYSA-N 2 0 264.266 2.673 20 0 CFADRP Cc1sc(C[NH2+][C@H](C)CCC[NH3+])nc1C(C)C ZINC000422719734 534607415 /nfs/dbraw/zinc/60/74/15/534607415.db2.gz ZDVLULWCJCOGJQ-SNVBAGLBSA-N 2 0 255.431 2.792 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2cc(C)ccc2C)C1 ZINC000071146940 522055466 /nfs/dbraw/zinc/05/54/66/522055466.db2.gz OTCAGTGSQUSZCV-INIZCTEOSA-N 2 0 276.424 2.614 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745865 522516147 /nfs/dbraw/zinc/51/61/47/522516147.db2.gz UHGAYYWGBPCMCS-NVXWUHKLSA-N 2 0 290.451 2.912 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745866 522518733 /nfs/dbraw/zinc/51/87/33/522518733.db2.gz UHGAYYWGBPCMCS-RDJZCZTQSA-N 2 0 290.451 2.912 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745864 522520038 /nfs/dbraw/zinc/52/00/38/522520038.db2.gz UHGAYYWGBPCMCS-DOTOQJQBSA-N 2 0 290.451 2.912 20 0 CFADRP COC1(CC[NH+]2CCC(CCC[NH+](C)C)CC2)CCC1 ZINC000339060671 522588494 /nfs/dbraw/zinc/58/84/94/522588494.db2.gz VAYHKIHLCLQZSL-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CCc1nccn1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000163069822 522598670 /nfs/dbraw/zinc/59/86/70/522598670.db2.gz WMATXWACXNFMDQ-HOTGVXAUSA-N 2 0 290.455 2.567 20 0 CFADRP Clc1ccccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414856018 534650970 /nfs/dbraw/zinc/65/09/70/534650970.db2.gz YCGOQGNUYUZCMW-LBPRGKRZSA-N 2 0 252.789 2.819 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000361076430 522666213 /nfs/dbraw/zinc/66/62/13/522666213.db2.gz PLQQQASPEMGVPS-CVEARBPZSA-N 2 0 270.461 2.758 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000157960106 522735518 /nfs/dbraw/zinc/73/55/18/522735518.db2.gz ZYHBVRZRMWTOFC-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CCCSC1)Cc1ccccc1 ZINC000061571081 522771891 /nfs/dbraw/zinc/77/18/91/522771891.db2.gz RUGCADHMLXOXEV-MRXNPFEDSA-N 2 0 278.465 2.994 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415074495 534663391 /nfs/dbraw/zinc/66/33/91/534663391.db2.gz AGKDDBMYIJLWRV-UHFFFAOYSA-N 2 0 260.425 2.953 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191406579 523018687 /nfs/dbraw/zinc/01/86/87/523018687.db2.gz PULHUWAXXGPKPX-KRWDZBQOSA-N 2 0 281.488 2.667 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422939706 534681312 /nfs/dbraw/zinc/68/13/12/534681312.db2.gz IEWKLHIRYRQWSR-LSDHHAIUSA-N 2 0 264.413 2.788 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000423102330 534689274 /nfs/dbraw/zinc/68/92/74/534689274.db2.gz JVEHUBQEGASUHW-AWEZNQCLSA-N 2 0 298.434 2.836 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000361340148 523248712 /nfs/dbraw/zinc/24/87/12/523248712.db2.gz AHHYPUKIXKFRNJ-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC000422911402 534722463 /nfs/dbraw/zinc/72/24/63/534722463.db2.gz KSVSOFJYOOCAEK-QGZVFWFLSA-N 2 0 258.409 2.658 20 0 CFADRP CCn1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c2ccccc21 ZINC000336309128 523675907 /nfs/dbraw/zinc/67/59/07/523675907.db2.gz DUIKDLGQHFSEIZ-UHFFFAOYSA-N 2 0 298.434 2.632 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309706592 523890134 /nfs/dbraw/zinc/89/01/34/523890134.db2.gz HZNJFEHXWYBRMF-BFYDXBDKSA-N 2 0 276.424 2.522 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000151797569 524023772 /nfs/dbraw/zinc/02/37/72/524023772.db2.gz GZJLTLVUQFCDNW-OAHLLOKOSA-N 2 0 290.451 2.604 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000086595851 524028865 /nfs/dbraw/zinc/02/88/65/524028865.db2.gz ROJWLMGVHAMEKA-GFCCVEGCSA-N 2 0 282.815 2.909 20 0 CFADRP COc1cccc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000310868147 524090305 /nfs/dbraw/zinc/09/03/05/524090305.db2.gz LNXBXDSXWMIUSK-QWHCGFSZSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000336815596 524137143 /nfs/dbraw/zinc/13/71/43/524137143.db2.gz IFOYFABMMLWYCB-LLVKDONJSA-N 2 0 272.339 2.895 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336654646 524140193 /nfs/dbraw/zinc/14/01/93/524140193.db2.gz DQUSTIIOXCTWGW-NUJGCVRESA-N 3 0 289.467 2.614 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000222911910 524168357 /nfs/dbraw/zinc/16/83/57/524168357.db2.gz NOUZSOWWCYMMOJ-OLZOCXBDSA-N 2 0 252.377 2.687 20 0 CFADRP C[C@H]1CC[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163888624 524289764 /nfs/dbraw/zinc/28/97/64/524289764.db2.gz MPQUZRRTHGCZHE-STQMWFEESA-N 2 0 282.815 2.636 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000339406351 524315062 /nfs/dbraw/zinc/31/50/62/524315062.db2.gz DVIQRFJBYVOFMK-GOSISDBHSA-N 2 0 287.451 2.787 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000334862425 524439971 /nfs/dbraw/zinc/43/99/71/524439971.db2.gz LNTQRWGCISNMPU-ROUUACIJSA-N 2 0 288.435 2.713 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c(C)c1 ZINC000094070315 524441196 /nfs/dbraw/zinc/44/11/96/524441196.db2.gz YVUDOIASMMECIE-UHFFFAOYSA-N 2 0 276.424 2.633 20 0 CFADRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000235870773 524441467 /nfs/dbraw/zinc/44/14/67/524441467.db2.gz WTVCDJAVMRHXOD-UHFFFAOYSA-N 2 0 296.842 2.978 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000334980931 524448934 /nfs/dbraw/zinc/44/89/34/524448934.db2.gz REZFVBJMBIVBHA-DOTOQJQBSA-N 2 0 273.424 2.520 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Br)cc1 ZINC000308984530 524455893 /nfs/dbraw/zinc/45/58/93/524455893.db2.gz GBWLAXZRDJDMKH-JTQLQIEISA-N 2 0 271.202 2.666 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)C[NH+]1CCCC1 ZINC000159048808 524486352 /nfs/dbraw/zinc/48/63/52/524486352.db2.gz PSMXTKQZGRYZSG-HZPDHXFCSA-N 2 0 288.435 2.874 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000088194945 524508589 /nfs/dbraw/zinc/50/85/89/524508589.db2.gz HVQAENDSXFUDEW-LSDHHAIUSA-N 2 0 276.424 2.558 20 0 CFADRP Cc1csc(C2([NH2+][C@@H](C)CCCC[NH3+])CCC2)n1 ZINC000422940382 534796866 /nfs/dbraw/zinc/79/68/66/534796866.db2.gz NCEABUTWKZXDRW-NSHDSACASA-N 2 0 267.442 2.938 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000168322029 524693109 /nfs/dbraw/zinc/69/31/09/524693109.db2.gz OWYIXZTVCZNETI-OCCSQVGLSA-N 2 0 266.816 2.860 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422908148 534802865 /nfs/dbraw/zinc/80/28/65/534802865.db2.gz YGGYJBFOKURGEF-GDBMZVCRSA-N 2 0 258.409 2.744 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1F ZINC000228820398 524781818 /nfs/dbraw/zinc/78/18/18/524781818.db2.gz WSOPBRWKRXFMOP-DOMZBBRYSA-N 2 0 250.361 2.564 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000367711352 524911404 /nfs/dbraw/zinc/91/14/04/524911404.db2.gz BUXPCUJOKXHKIO-OWCLPIDISA-N 2 0 287.451 2.822 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCF)CC2)C[C@@H](C)O1 ZINC000151525808 524940819 /nfs/dbraw/zinc/94/08/19/524940819.db2.gz MFUBUGHFZTUONI-HUUCEWRRSA-N 2 0 286.435 2.557 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050576517 524977508 /nfs/dbraw/zinc/97/75/08/524977508.db2.gz GPDUIJPWEAIWBS-CYBMUJFWSA-N 2 0 262.372 2.708 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000050577297 524978853 /nfs/dbraw/zinc/97/88/53/524978853.db2.gz LFVJHCQDHSSNJG-AWEZNQCLSA-N 2 0 264.388 2.954 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000070984143 525012233 /nfs/dbraw/zinc/01/22/33/525012233.db2.gz XDYDQHPANOUOCI-ZIAGYGMSSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339409225 525024830 /nfs/dbraw/zinc/02/48/30/525024830.db2.gz XYDMQJLSDJXLMX-CVEARBPZSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000178231166 525028038 /nfs/dbraw/zinc/02/80/38/525028038.db2.gz QJGRLJNQYJOGBN-OKSWLAIDSA-N 2 0 287.407 2.566 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000334856782 525094121 /nfs/dbraw/zinc/09/41/21/525094121.db2.gz KYTQOJMBKRZDGK-DYVFJYSZSA-N 2 0 254.377 2.927 20 0 CFADRP Cc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158879652 525300851 /nfs/dbraw/zinc/30/08/51/525300851.db2.gz UIOVCFPOCCHTFD-SJORKVTESA-N 2 0 288.435 2.790 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000158567833 525336797 /nfs/dbraw/zinc/33/67/97/525336797.db2.gz BVXWWPLOKCFLSE-VVLHAWIVSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc2ccccc2o1 ZINC000231786850 525357448 /nfs/dbraw/zinc/35/74/48/525357448.db2.gz QJJSHWTVSYSCIN-ZDUSSCGKSA-N 2 0 276.380 2.662 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCOC1 ZINC000356830666 525436141 /nfs/dbraw/zinc/43/61/41/525436141.db2.gz ATNIRNURUSHRAU-TWMKSMIVSA-N 2 0 282.472 2.759 20 0 CFADRP CSCCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000229211564 525439015 /nfs/dbraw/zinc/43/90/15/525439015.db2.gz MASZSRHSBXKGKK-KBPBESRZSA-N 2 0 250.411 2.864 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)CC[N@@H+]1C ZINC000230677004 525441534 /nfs/dbraw/zinc/44/15/34/525441534.db2.gz JJJBFWVJYSMSKR-IUODEOHRSA-N 2 0 257.381 2.740 20 0 CFADRP CSc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000228407315 526001661 /nfs/dbraw/zinc/00/16/61/526001661.db2.gz CWLYULJRIQUCQP-UHFFFAOYSA-N 2 0 250.411 2.640 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000364939479 526091604 /nfs/dbraw/zinc/09/16/04/526091604.db2.gz WHIJLQQLJORNDJ-INIZCTEOSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000156395637 526250849 /nfs/dbraw/zinc/25/08/49/526250849.db2.gz NMFVINBUYIZBEF-GOEBONIOSA-N 2 0 250.430 2.983 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423139439 526273942 /nfs/dbraw/zinc/27/39/42/526273942.db2.gz KQULKOYRHOJSPP-RHSMWYFYSA-N 2 0 258.409 2.850 20 0 CFADRP O[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000364842192 526312376 /nfs/dbraw/zinc/31/23/76/526312376.db2.gz CVOYPHGHHGIQSK-AEFFLSMTSA-N 2 0 294.483 2.782 20 0 CFADRP Fc1ccccc1[C@H]1CC[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335029477 526418230 /nfs/dbraw/zinc/41/82/30/526418230.db2.gz MVMJSUXJBZREBT-JSGCOSHPSA-N 2 0 262.372 2.803 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000360453915 526419658 /nfs/dbraw/zinc/41/96/58/526419658.db2.gz HDKGJCFRHUFAOV-GOSISDBHSA-N 2 0 287.451 2.965 20 0 CFADRP c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c[nH]1 ZINC000192933565 526428210 /nfs/dbraw/zinc/42/82/10/526428210.db2.gz LWLXJTLCNGIWQV-QGZVFWFLSA-N 2 0 269.392 2.626 20 0 CFADRP C[N@@H+](Cc1ccc(C2CC2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000459522118 536466425 /nfs/dbraw/zinc/46/64/25/536466425.db2.gz VEAQTUWKDSUGRJ-OAHLLOKOSA-N 2 0 258.409 2.948 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422756712 526740056 /nfs/dbraw/zinc/74/00/56/526740056.db2.gz HWVCQNQVFALVTL-JDOFQRQTSA-N 2 0 280.456 2.700 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415005707 526881025 /nfs/dbraw/zinc/88/10/25/526881025.db2.gz JMJLYQGYTRTICV-UONOGXRCSA-N 2 0 293.480 2.918 20 0 CFADRP Clc1cccc(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360563640 526981025 /nfs/dbraw/zinc/98/10/25/526981025.db2.gz OYHBUJWROCYEBF-INIZCTEOSA-N 2 0 294.826 2.794 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cs1 ZINC000353529574 527030765 /nfs/dbraw/zinc/03/07/65/527030765.db2.gz QPHKEFPLSGONNN-QFWMXSHPSA-N 2 0 267.442 2.975 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000334867482 527141766 /nfs/dbraw/zinc/14/17/66/527141766.db2.gz XFHMOIWIUJRIKE-UQZDFYISSA-N 2 0 296.361 2.654 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000050885010 527169133 /nfs/dbraw/zinc/16/91/33/527169133.db2.gz FGWVPHCTFTYUQC-UHFFFAOYSA-N 2 0 254.324 2.526 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000423166235 527176084 /nfs/dbraw/zinc/17/60/84/527176084.db2.gz QZXHHJKOAVMFLW-HRCADAONSA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1cccnc1 ZINC000423184886 527176142 /nfs/dbraw/zinc/17/61/42/527176142.db2.gz NNXZPKMLSZRESH-HUUCEWRRSA-N 2 0 261.413 2.609 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(O)CCCC1 ZINC000423166236 527177480 /nfs/dbraw/zinc/17/74/80/527177480.db2.gz QZXHHJKOAVMFLW-OWCLPIDISA-N 2 0 294.483 2.828 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000422909991 527181012 /nfs/dbraw/zinc/18/10/12/527181012.db2.gz HDFMGRLYTFNKLG-HOTGVXAUSA-N 2 0 260.425 2.972 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000317386262 527181329 /nfs/dbraw/zinc/18/13/29/527181329.db2.gz FIDCCMGMVDOCNK-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000084220585 527214238 /nfs/dbraw/zinc/21/42/38/527214238.db2.gz RTKJCKQKDQLUSH-AAEUAGOBSA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000084220590 527236888 /nfs/dbraw/zinc/23/68/88/527236888.db2.gz AZOAHKYIMSORCV-ZWNOBZJWSA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+][C@H]1C[C@H](NCC2([NH3+])CCCCCC2)c2ccccc21 ZINC000335056125 527418890 /nfs/dbraw/zinc/41/88/90/527418890.db2.gz BHEJITHQZIGWHB-HOTGVXAUSA-N 2 0 273.424 2.773 20 0 CFADRP C(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC1CCCC1 ZINC000422804404 527485535 /nfs/dbraw/zinc/48/55/35/527485535.db2.gz KJOXDBHDOFECSB-YESZJQIVSA-N 2 0 280.456 2.704 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COC1CCCC1 ZINC000422836067 527485789 /nfs/dbraw/zinc/48/57/89/527485789.db2.gz ZNLMUHDYLICFIQ-BRWVUGGUSA-N 2 0 280.456 2.846 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC[NH3+])CC1 ZINC000423329960 527646437 /nfs/dbraw/zinc/64/64/37/527646437.db2.gz PCZSBWWEMOOWDB-UHFFFAOYSA-N 3 0 283.504 2.994 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422829396 527724733 /nfs/dbraw/zinc/72/47/33/527724733.db2.gz BYGRAWCQYAUYPU-SJLPKXTDSA-N 3 0 295.515 2.722 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827603 527730527 /nfs/dbraw/zinc/73/05/27/527730527.db2.gz SJZOSCLMSWXWFD-BMFZPTHFSA-N 2 0 268.445 2.702 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)C1 ZINC000414075965 527815425 /nfs/dbraw/zinc/81/54/25/527815425.db2.gz PQVPUHYHAFYJGQ-ILXRZTDVSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)C(C)(C)C ZINC000423194723 527847673 /nfs/dbraw/zinc/84/76/73/527847673.db2.gz YKIDVNCRLBVRJD-INIZCTEOSA-N 2 0 283.504 2.722 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@@H]1c1ccccc1 ZINC000423322641 527869496 /nfs/dbraw/zinc/86/94/96/527869496.db2.gz OAWIPXJRIMVBMU-BZUAXINKSA-N 2 0 258.409 2.896 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@H]1Oc1ccccc1 ZINC000423325634 527869906 /nfs/dbraw/zinc/86/99/06/527869906.db2.gz QJMCJXZIJYQHSW-BZUAXINKSA-N 2 0 274.408 2.559 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C[C@H]1c1ccccc1 ZINC000423322642 527871155 /nfs/dbraw/zinc/87/11/55/527871155.db2.gz OAWIPXJRIMVBMU-HRCADAONSA-N 2 0 258.409 2.896 20 0 CFADRP CC(C)OC1CC([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000428079430 527879981 /nfs/dbraw/zinc/87/99/81/527879981.db2.gz LFEMCAQBGCDRRH-UHFFFAOYSA-N 2 0 268.445 2.652 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423118618 527894148 /nfs/dbraw/zinc/89/41/48/527894148.db2.gz BNKDEARKOKJZTK-YHUYYLMFSA-N 2 0 274.408 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(CC)CC ZINC000422831786 527936986 /nfs/dbraw/zinc/93/69/86/527936986.db2.gz DZQKVVGWVPCCOY-BLNMRFBMSA-N 2 0 280.456 2.843 20 0 CFADRP CC1(C[NH2+]C2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000414913380 527980260 /nfs/dbraw/zinc/98/02/60/527980260.db2.gz WQHXKPSFEIEJEA-UHFFFAOYSA-N 2 0 287.451 2.635 20 0 CFADRP CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC[NH2+]CC1 ZINC000414914228 527980899 /nfs/dbraw/zinc/98/08/99/527980899.db2.gz XQIFQXMSEOBCGI-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC[NH2+]CC1 ZINC000423337294 527987793 /nfs/dbraw/zinc/98/77/93/527987793.db2.gz UDWUSZIJDJJRJU-KBPBESRZSA-N 2 0 256.409 2.884 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)C ZINC000422802758 528049754 /nfs/dbraw/zinc/04/97/54/528049754.db2.gz CAIKABDGPZPNMY-SUMWQHHRSA-N 2 0 293.455 2.951 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000422827609 528050026 /nfs/dbraw/zinc/05/00/26/528050026.db2.gz SJZOSCLMSWXWFD-NUEKZKHPSA-N 2 0 268.445 2.702 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](C)C[C@@H](C)[NH3+])C1CCCC1 ZINC000422817847 528050429 /nfs/dbraw/zinc/05/04/29/528050429.db2.gz DXZHPDQIAISPJY-UMVBOHGHSA-N 2 0 256.434 2.687 20 0 CFADRP CCO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423084112 528057629 /nfs/dbraw/zinc/05/76/29/528057629.db2.gz HIKSNVIGYDHJJL-BDVYOWHSSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(c2ccccc2)CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000414868108 528063412 /nfs/dbraw/zinc/06/34/12/528063412.db2.gz HIKVKBMUGOQMRJ-CGZBRXJRSA-N 2 0 258.409 2.838 20 0 CFADRP CC(C)COC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414693938 528079556 /nfs/dbraw/zinc/07/95/56/528079556.db2.gz SCPRNNUXSXGVCU-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000414818694 528112823 /nfs/dbraw/zinc/11/28/23/528112823.db2.gz FTFMQASALJADLD-UONOGXRCSA-N 2 0 291.439 2.854 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449516 528130760 /nfs/dbraw/zinc/13/07/60/528130760.db2.gz WOCANLPSMHVYNU-YLFCFFPRSA-N 2 0 294.483 2.804 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423260301 528130787 /nfs/dbraw/zinc/13/07/87/528130787.db2.gz PXCVFLOMLPJEBA-ARFHVFGLSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423482040 528132514 /nfs/dbraw/zinc/13/25/14/528132514.db2.gz XMOYODXPKFUJEZ-YHUYYLMFSA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CNCC[NH2+]C(C)(C)C)cc1 ZINC000414835316 528134212 /nfs/dbraw/zinc/13/42/12/528134212.db2.gz RNRCOJGKKWMMDI-INIZCTEOSA-N 2 0 277.456 2.788 20 0 CFADRP CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423243066 528134532 /nfs/dbraw/zinc/13/45/32/528134532.db2.gz MRMLCGZOMNTOQR-PBHICJAKSA-N 2 0 277.456 2.917 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422862269 528150395 /nfs/dbraw/zinc/15/03/95/528150395.db2.gz POXUUNKUUDHPKO-HNNXBMFYSA-N 2 0 278.440 2.981 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422858838 528151017 /nfs/dbraw/zinc/15/10/17/528151017.db2.gz IYYXVWRWIWPQBH-GJZGRUSLSA-N 2 0 278.440 2.979 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414855754 528161571 /nfs/dbraw/zinc/16/15/71/528161571.db2.gz NMSSVOHZCPCRPZ-HOCLYGCPSA-N 2 0 276.424 2.952 20 0 CFADRP CC[NH+](CC)CCSCC[NH+]1CCC(C)CC1 ZINC000154289448 528164598 /nfs/dbraw/zinc/16/45/98/528164598.db2.gz ZMDOMLINKXKAAV-UHFFFAOYSA-N 2 0 258.475 2.793 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422744175 528185015 /nfs/dbraw/zinc/18/50/15/528185015.db2.gz VPPGWDZRIOFCKH-ZBFHGGJFSA-N 2 0 276.424 2.938 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422738287 528188425 /nfs/dbraw/zinc/18/84/25/528188425.db2.gz JKUHMWSKRPAJRY-KZNAEPCWSA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422690028 528195234 /nfs/dbraw/zinc/19/52/34/528195234.db2.gz GBPIMDLHSSMTAE-GJZGRUSLSA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301327 528204576 /nfs/dbraw/zinc/20/45/76/528204576.db2.gz HHQPMPOZRYUZQL-ROUUACIJSA-N 2 0 288.435 2.919 20 0 CFADRP CCC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423262058 528220363 /nfs/dbraw/zinc/22/03/63/528220363.db2.gz UDEKIPXLESGHCF-ZBFHGGJFSA-N 2 0 261.413 2.902 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)CC(C)C ZINC000422826741 528247185 /nfs/dbraw/zinc/24/71/85/528247185.db2.gz MAGHBDXRLPGGAC-HUUCEWRRSA-N 2 0 292.471 2.901 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000422967690 528280658 /nfs/dbraw/zinc/28/06/58/528280658.db2.gz CGBVAXFSIRDUQB-OWCLPIDISA-N 2 0 293.455 2.783 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414672967 528430699 /nfs/dbraw/zinc/43/06/99/528430699.db2.gz PWLHJPFQAKZJQK-GOEBONIOSA-N 2 0 276.424 2.905 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414848146 528455456 /nfs/dbraw/zinc/45/54/56/528455456.db2.gz KDHLGALNTVGVSU-AWEZNQCLSA-N 2 0 292.423 2.573 20 0 CFADRP CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1F ZINC000414902607 528455761 /nfs/dbraw/zinc/45/57/61/528455761.db2.gz KYNTXGHTUCRZBN-UHFFFAOYSA-N 2 0 280.387 2.704 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422785662 528459851 /nfs/dbraw/zinc/45/98/51/528459851.db2.gz NQLKVOSEDQIUPW-FUHWJXTLSA-N 2 0 289.467 2.881 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC000415081610 528464210 /nfs/dbraw/zinc/46/42/10/528464210.db2.gz KMBUMICEXCGIRZ-HIFRSBDPSA-N 2 0 292.423 2.714 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000415080782 528465015 /nfs/dbraw/zinc/46/50/15/528465015.db2.gz JRXNAYLLARIVKQ-HYVNUMGLSA-N 2 0 275.440 2.941 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1c[nH+]ccc1N ZINC000422741151 528469104 /nfs/dbraw/zinc/46/91/04/528469104.db2.gz OHESKHZCOBACEO-HUUCEWRRSA-N 2 0 290.455 2.799 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414867334 528508634 /nfs/dbraw/zinc/50/86/34/528508634.db2.gz IJIKPTCQFPYMLP-NVXWUHKLSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414853439 528516853 /nfs/dbraw/zinc/51/68/53/528516853.db2.gz SNCDWKLFHXXBKT-KBAYOESNSA-N 2 0 295.515 2.993 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1cccc(C)c1 ZINC000422758466 528517086 /nfs/dbraw/zinc/51/70/86/528517086.db2.gz DWSQGRZCRSTIOB-WMZOPIPTSA-N 2 0 289.467 2.799 20 0 CFADRP CC(C)C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000422820920 528532752 /nfs/dbraw/zinc/53/27/52/528532752.db2.gz SWPBENKOYXXWEW-CGTJXYLNSA-N 2 0 291.483 2.511 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccccc1F ZINC000414794852 528534584 /nfs/dbraw/zinc/53/45/84/528534584.db2.gz MIRYGWBFPUXGQA-DOMZBBRYSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000423249698 528570798 /nfs/dbraw/zinc/57/07/98/528570798.db2.gz PKYTUTSDMYVMBS-ZBFHGGJFSA-N 2 0 261.413 2.758 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cn1 ZINC000422708868 528579063 /nfs/dbraw/zinc/57/90/63/528579063.db2.gz JSSKFZGESYNJNE-IHRRRGAJSA-N 2 0 264.417 2.503 20 0 CFADRP CCCCOCCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422725837 528586845 /nfs/dbraw/zinc/58/68/45/528586845.db2.gz CLTCXUPRAMZUND-ZDUSSCGKSA-N 2 0 279.428 2.706 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422697969 528598067 /nfs/dbraw/zinc/59/80/67/528598067.db2.gz WZQACTKIRPIDCY-PBHICJAKSA-N 2 0 276.424 2.830 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427120389 528635203 /nfs/dbraw/zinc/63/52/03/528635203.db2.gz BPKPCQYUPALTPU-SJORKVTESA-N 2 0 258.409 2.823 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCCC1 ZINC000422885275 528636637 /nfs/dbraw/zinc/63/66/37/528636637.db2.gz GSFXCOWWPOOCCD-UONOGXRCSA-N 2 0 256.434 2.689 20 0 CFADRP CCOc1cccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414976852 528652888 /nfs/dbraw/zinc/65/28/88/528652888.db2.gz QMQUDKXNKGGLNN-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP CCCCOc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OC ZINC000414886466 528654363 /nfs/dbraw/zinc/65/43/63/528654363.db2.gz YFZYMZLORRMOSN-ZDUSSCGKSA-N 2 0 280.412 2.559 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414898085 528655395 /nfs/dbraw/zinc/65/53/95/528655395.db2.gz FYCJKAAUROBDCV-MRXNPFEDSA-N 2 0 262.397 2.565 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414826559 528685830 /nfs/dbraw/zinc/68/58/30/528685830.db2.gz FRSDLLFMKVODNS-AWEZNQCLSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000423148670 528779460 /nfs/dbraw/zinc/77/94/60/528779460.db2.gz GJPUDUMKHKYIBS-QXSJWSMHSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422914663 528834102 /nfs/dbraw/zinc/83/41/02/528834102.db2.gz VJGWVCOYPSDEQY-GJZGRUSLSA-N 3 0 277.456 2.742 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422914273 528834250 /nfs/dbraw/zinc/83/42/50/528834250.db2.gz SOLFYZDHGQXVMI-QAPCUYQASA-N 2 0 289.467 2.614 20 0 CFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422909769 528834307 /nfs/dbraw/zinc/83/43/07/528834307.db2.gz GSZREYYBNDSOKX-OAHLLOKOSA-N 3 0 277.456 2.744 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[NH+](C)C ZINC000422966378 528855925 /nfs/dbraw/zinc/85/59/25/528855925.db2.gz RFSLFOBVAKDMIH-OAGGEKHMSA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)[N@H+](CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000161860120 528879366 /nfs/dbraw/zinc/87/93/66/528879366.db2.gz OLKGZUPOVRAPHK-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)[NH+](CCCN[C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000423003137 528885849 /nfs/dbraw/zinc/88/58/49/528885849.db2.gz HCKSLQKRDWKZLG-HZPDHXFCSA-N 2 0 269.477 2.616 20 0 CFADRP CCCC[C@H](CCC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422869675 528920294 /nfs/dbraw/zinc/92/02/94/528920294.db2.gz WQSGQHVVDKXFAL-FXUDXRNXSA-N 2 0 270.461 2.935 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423287134 528950133 /nfs/dbraw/zinc/95/01/33/528950133.db2.gz KLVPEDQZIXDAKJ-ZDUSSCGKSA-N 2 0 277.412 2.511 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423289259 528952942 /nfs/dbraw/zinc/95/29/42/528952942.db2.gz WPHSDAKRWMEDOJ-CQSZACIVSA-N 2 0 291.439 2.535 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000423304024 528957905 /nfs/dbraw/zinc/95/79/05/528957905.db2.gz YCCOJUZBSIOFKW-KSZLIROESA-N 2 0 289.467 2.929 20 0 CFADRP CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423138066 528963833 /nfs/dbraw/zinc/96/38/33/528963833.db2.gz RXKLTLFGNMZSPZ-QKPAOTATSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000422837404 529014808 /nfs/dbraw/zinc/01/48/08/529014808.db2.gz UFEZOKPIQOSRSD-CWRNSKLLSA-N 2 0 261.413 2.538 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423209146 529021452 /nfs/dbraw/zinc/02/14/52/529021452.db2.gz ZSIPJZJFVMNHNE-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000423314667 529029032 /nfs/dbraw/zinc/02/90/32/529029032.db2.gz YUVUKXJMPCPNOK-ZFWWWQNUSA-N 2 0 266.454 2.988 20 0 CFADRP CC(C)[C@H](CSc1ccccc1)[NH2+]CC1C[NH2+]C1 ZINC000423299092 529029152 /nfs/dbraw/zinc/02/91/52/529029152.db2.gz BGOXKTXURFTVHJ-HNNXBMFYSA-N 2 0 264.438 2.612 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423244796 529030813 /nfs/dbraw/zinc/03/08/13/529030813.db2.gz XTFYCPPNDQHTMZ-HOTGVXAUSA-N 2 0 264.388 2.734 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000423285004 529071160 /nfs/dbraw/zinc/07/11/60/529071160.db2.gz YRCLVKKILKECFX-IUODEOHRSA-N 2 0 260.381 2.937 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)c(F)c1 ZINC000423224599 529121229 /nfs/dbraw/zinc/12/12/29/529121229.db2.gz JMIMGCGCAKSGIX-HZMBPMFUSA-N 2 0 256.340 2.989 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000422789734 529126326 /nfs/dbraw/zinc/12/63/26/529126326.db2.gz SJUHOLAFOBBZLP-ABAIWWIYSA-N 2 0 250.361 2.720 20 0 CFADRP CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423103503 529158856 /nfs/dbraw/zinc/15/88/56/529158856.db2.gz ATORWZPYTXCVGO-OLZOCXBDSA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422706518 529176040 /nfs/dbraw/zinc/17/60/40/529176040.db2.gz FEJYRUBRAKRVHU-IKGGRYGDSA-N 2 0 293.430 2.549 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423216605 529176095 /nfs/dbraw/zinc/17/60/95/529176095.db2.gz RXCQJAMUUADLSG-IUODEOHRSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000423282451 529178166 /nfs/dbraw/zinc/17/81/66/529178166.db2.gz WOWKVYXQRDQBJT-TZMCWYRMSA-N 2 0 280.412 2.600 20 0 CFADRP CC[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422895632 529178237 /nfs/dbraw/zinc/17/82/37/529178237.db2.gz WKGHBRAQODAWFN-IXDOHACOSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](c1cccnc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422836265 529179002 /nfs/dbraw/zinc/17/90/02/529179002.db2.gz QTZUBNPJLGUPIT-BBWFWOEESA-N 2 0 275.440 2.941 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)Cc1cc(F)cc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423162431 529199882 /nfs/dbraw/zinc/19/98/82/529199882.db2.gz LFXLJHBEPFSWLY-VUCTXSBTSA-N 2 0 294.414 2.886 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422950722 529202796 /nfs/dbraw/zinc/20/27/96/529202796.db2.gz WOQTXDOIUTZWCI-HUUCEWRRSA-N 2 0 290.407 2.641 20 0 CFADRP CC[C@@H](O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000422084850 529231998 /nfs/dbraw/zinc/23/19/98/529231998.db2.gz LJEMAEKSDGGHJO-MRXNPFEDSA-N 2 0 278.440 2.505 20 0 CFADRP CCSc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000423125860 529252623 /nfs/dbraw/zinc/25/26/23/529252623.db2.gz IFOYZAHLJJTBLY-VBNZEHGJSA-N 2 0 294.464 2.641 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423165005 529278081 /nfs/dbraw/zinc/27/80/81/529278081.db2.gz XOLGANAAPGAAQM-UYJHQMFVSA-N 2 0 268.445 2.545 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922720 529368369 /nfs/dbraw/zinc/36/83/69/529368369.db2.gz UENLDORHYORZEH-SOUVJXGZSA-N 2 0 264.413 2.868 20 0 CFADRP CC[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCC1 ZINC000422961888 529369686 /nfs/dbraw/zinc/36/96/86/529369686.db2.gz DCXIPPARZIDDNX-KBRIMQKVSA-N 2 0 273.424 2.595 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1ccccc1F ZINC000422819365 529369740 /nfs/dbraw/zinc/36/97/40/529369740.db2.gz MVHJPXQVCRRADA-SQWLQELKSA-N 2 0 294.414 2.961 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422931874 529370069 /nfs/dbraw/zinc/37/00/69/529370069.db2.gz YHUWBQQXRKENNZ-BXUZGUMPSA-N 2 0 282.815 2.695 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])Oc1cccc(C)c1 ZINC000422922718 529370116 /nfs/dbraw/zinc/37/01/16/529370116.db2.gz UENLDORHYORZEH-RBSFLKMASA-N 2 0 264.413 2.868 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1cccc(C)c1 ZINC000422918882 529370869 /nfs/dbraw/zinc/37/08/69/529370869.db2.gz IQPCLJDESABXDL-BMFZPTHFSA-N 2 0 262.397 2.622 20 0 CFADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000341903664 535156479 /nfs/dbraw/zinc/15/64/79/535156479.db2.gz HDXVBYXMUOLTBD-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658130 535269341 /nfs/dbraw/zinc/26/93/41/535269341.db2.gz JRJRDGMLJHJPCG-HOCLYGCPSA-N 2 0 273.380 2.628 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2(SC)CCC2)CC1 ZINC000356181717 535353232 /nfs/dbraw/zinc/35/32/32/535353232.db2.gz BHLCAXSTFMEIIZ-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP CC[N@H+](Cc1sc(C)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435380544 535399725 /nfs/dbraw/zinc/39/97/25/535399725.db2.gz OTCQQYKHZLMCFT-CYBMUJFWSA-N 2 0 267.442 2.724 20 0 CFADRP CCC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccsc1 ZINC000447593430 535704670 /nfs/dbraw/zinc/70/46/70/535704670.db2.gz RVDFKKKSXXDACV-AWEZNQCLSA-N 2 0 270.442 2.757 20 0 CFADRP CC[N@H+](Cc1ccccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435381752 535790113 /nfs/dbraw/zinc/79/01/13/535790113.db2.gz VQFMGAXKTIMHMU-HNNXBMFYSA-N 2 0 262.397 2.659 20 0 CFADRP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442927980 536885226 /nfs/dbraw/zinc/88/52/26/536885226.db2.gz OWXSNXOUWWEEJC-LSDHHAIUSA-N 2 0 276.424 2.860 20 0 CFADRP Fc1ccc2oc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000666855455 545558838 /nfs/dbraw/zinc/55/88/38/545558838.db2.gz SKJNLQHOPKEGMW-CYBMUJFWSA-N 2 0 262.328 2.804 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccoc2)C1 ZINC000727465600 574052209 /nfs/dbraw/zinc/05/22/09/574052209.db2.gz FBBFQRCKQSIEMJ-AWEZNQCLSA-N 2 0 250.386 2.881 20 0 CFADRP C[C@H]1C[C@@H](Nc2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000156004656 574082713 /nfs/dbraw/zinc/08/27/13/574082713.db2.gz GSHINXOJZWKPPZ-BBRMVZONSA-N 2 0 261.413 2.643 20 0 CFADRP C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC000671302776 574084267 /nfs/dbraw/zinc/08/42/67/574084267.db2.gz IOROSQBYGJDIBS-LLVKDONJSA-N 2 0 299.365 2.503 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C/C=C(\C)C(=O)OC)CC1 ZINC000748817318 574269087 /nfs/dbraw/zinc/26/90/87/574269087.db2.gz MBUZJBMHSNPKDM-VIZOYTHASA-N 2 0 296.455 2.550 20 0 CFADRP CCCCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000749115653 574280529 /nfs/dbraw/zinc/28/05/29/574280529.db2.gz JTOSKXRZTIYBFG-HUUCEWRRSA-N 2 0 284.444 2.524 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1OC ZINC000090462015 574291666 /nfs/dbraw/zinc/29/16/66/574291666.db2.gz PIFOAZMOQMYYIB-IMJJTQAJSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C1CC[NH+](C)CC1 ZINC000396443760 574292150 /nfs/dbraw/zinc/29/21/50/574292150.db2.gz ATXINRAFITYJCS-GOEBONIOSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396452556 574355099 /nfs/dbraw/zinc/35/50/99/574355099.db2.gz HSHAQBAKCGBOFA-KSSFIOAISA-N 2 0 288.435 2.620 20 0 CFADRP CC(C)(C)C(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000753747839 574409712 /nfs/dbraw/zinc/40/97/12/574409712.db2.gz SRQWGMKTZLBACJ-HOCLYGCPSA-N 2 0 292.467 2.940 20 0 CFADRP C[NH+]1CCC(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000891536468 617655234 /nfs/dbraw/zinc/65/52/34/617655234.db2.gz KXZUDYBGYZDEMH-UHFFFAOYSA-N 2 0 286.419 2.823 20 0 CFADRP C[C@@H]1c2ccccc2OCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000891748142 617737607 /nfs/dbraw/zinc/73/76/07/617737607.db2.gz OCRJALFYXQSUTN-CQSZACIVSA-N 2 0 274.408 2.784 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733310 617762396 /nfs/dbraw/zinc/76/23/96/617762396.db2.gz IAKSWYMYNLALJM-LVQVYYBASA-N 2 0 250.430 2.696 20 0 CFADRP CC1CCC(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CC1 ZINC000933737267 617765300 /nfs/dbraw/zinc/76/53/00/617765300.db2.gz PHGCDICCZMWPRC-SSHXOBKSSA-N 2 0 250.430 2.696 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCCCC[NH3+] ZINC000843343433 617811691 /nfs/dbraw/zinc/81/16/91/617811691.db2.gz UCYBUOPNDUQIFE-HNNXBMFYSA-N 2 0 262.397 2.791 20 0 CFADRP c1cc(N2CCC(C[NH2+]C3CCCC3)CC2)cc[nH+]1 ZINC000093116636 617828609 /nfs/dbraw/zinc/82/86/09/617828609.db2.gz CJDVPFVUAUSROX-UHFFFAOYSA-N 2 0 259.397 2.830 20 0 CFADRP CCCO[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)CC1 ZINC000892007400 617912181 /nfs/dbraw/zinc/91/21/81/617912181.db2.gz IDZDSYFMMRZIKN-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926338015 617920008 /nfs/dbraw/zinc/92/00/08/617920008.db2.gz VKMBIYPDNUDRQX-ODIFPOPNSA-N 2 0 273.424 2.619 20 0 CFADRP C1CC1[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CCOCC1 ZINC000926338254 617920616 /nfs/dbraw/zinc/92/06/16/617920616.db2.gz XNJPUYPNVOUNDA-ABHNRTSZSA-N 2 0 292.467 2.798 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nccc4c3CCCC4)CC[C@H]21 ZINC000892226369 618014748 /nfs/dbraw/zinc/01/47/48/618014748.db2.gz GNDBAAWSNJVCJP-QFBILLFUSA-N 2 0 299.462 2.877 20 0 CFADRP CCOc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000892230795 618016514 /nfs/dbraw/zinc/01/65/14/618016514.db2.gz JMVKLJSLOOGZRH-UKRRQHHQSA-N 2 0 278.396 2.594 20 0 CFADRP Cc1cc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc(N)[nH+]1 ZINC000064915961 618059617 /nfs/dbraw/zinc/05/96/17/618059617.db2.gz SJAHJXVVLHWNKS-UKRRQHHQSA-N 2 0 297.406 2.615 20 0 CFADRP Cc1ccccc1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161320622 618062855 /nfs/dbraw/zinc/06/28/55/618062855.db2.gz FLDLLHZNCHYPTL-UHFFFAOYSA-N 2 0 297.402 2.591 20 0 CFADRP CSc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262115844 618066249 /nfs/dbraw/zinc/06/62/49/618066249.db2.gz WXZHVHDEEIDJPO-UHFFFAOYSA-N 2 0 276.449 2.984 20 0 CFADRP COc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH3+])C3)ccc2c1 ZINC000050245210 618102161 /nfs/dbraw/zinc/10/21/61/618102161.db2.gz LCEAHYBLHCEFCL-AWEZNQCLSA-N 2 0 270.376 2.629 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261565601 618105472 /nfs/dbraw/zinc/10/54/72/618105472.db2.gz HTKRSRNVTMDAQH-LSDHHAIUSA-N 2 0 250.361 2.948 20 0 CFADRP Cc1nccn1CCCC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770979 618126633 /nfs/dbraw/zinc/12/66/33/618126633.db2.gz OLKVGOYNYXPGBI-CABCVRRESA-N 2 0 279.453 2.657 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926560085 618208741 /nfs/dbraw/zinc/20/87/41/618208741.db2.gz RBJQZFYOVAQAKN-KEYYUXOJSA-N 2 0 276.424 2.966 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CSCCS2)c2ccccc21 ZINC000253021806 618214371 /nfs/dbraw/zinc/21/43/71/618214371.db2.gz KPWUOYDKVBMQSB-ZLKJLUDKSA-N 2 0 280.462 2.569 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2[nH]nc(C)c2C)CC1 ZINC000893941267 618247193 /nfs/dbraw/zinc/24/71/93/618247193.db2.gz UWGQKIKFDXOLFA-UHFFFAOYSA-N 2 0 292.471 2.970 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1)[NH2+]2 ZINC000925571472 618252018 /nfs/dbraw/zinc/25/20/18/618252018.db2.gz IDSLBNMABWYDGG-YGTFVGLLSA-N 2 0 270.420 2.736 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000924526242 618253003 /nfs/dbraw/zinc/25/30/03/618253003.db2.gz JFFLCUMUYCQGIK-WBVHZDCISA-N 2 0 289.467 2.970 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000924527486 618259855 /nfs/dbraw/zinc/25/98/55/618259855.db2.gz SUSZYHIFFUOEFI-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000925586867 618272192 /nfs/dbraw/zinc/27/21/92/618272192.db2.gz UUISYYGMRBONIQ-KBPBESRZSA-N 2 0 280.387 2.700 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ncccc2Cl)C1 ZINC000925587252 618273080 /nfs/dbraw/zinc/27/30/80/618273080.db2.gz HMUGMXJOTXQHGH-RYUDHWBXSA-N 2 0 297.830 2.609 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCOc2ncccc2Cl)C[C@@H]([NH3+])C1 ZINC000925587250 618273493 /nfs/dbraw/zinc/27/34/93/618273493.db2.gz HMUGMXJOTXQHGH-NEPJUHHUSA-N 2 0 297.830 2.609 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C1(C2CC2)CC1 ZINC000925591230 618276473 /nfs/dbraw/zinc/27/64/73/618276473.db2.gz YWJBYDBEJJLWGJ-CVEARBPZSA-N 2 0 262.441 2.935 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000925602424 618290071 /nfs/dbraw/zinc/29/00/71/618290071.db2.gz SVRPYCKXZVOONL-DLBZAZTESA-N 2 0 272.436 2.897 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000894037372 618291950 /nfs/dbraw/zinc/29/19/50/618291950.db2.gz JEUZMEIDMWNOSA-XQQFMLRXSA-N 2 0 289.261 2.576 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)o1 ZINC000925606235 618293755 /nfs/dbraw/zinc/29/37/55/618293755.db2.gz MIKDIFHOSZANFY-QWHCGFSZSA-N 2 0 250.386 2.626 20 0 CFADRP C[C@]1(Br)C[C@@H]1C[NH2+]CCC[NH+]1CCCCC1 ZINC000892461324 618297778 /nfs/dbraw/zinc/29/77/78/618297778.db2.gz GGUJSMAWFKNLJM-OLZOCXBDSA-N 2 0 289.261 2.626 20 0 CFADRP COc1ccc(CNCCC[N@H+](C)Cc2ccccc2)o1 ZINC000892462682 618299921 /nfs/dbraw/zinc/29/99/21/618299921.db2.gz VBUTYPCIPAWPHJ-UHFFFAOYSA-N 2 0 288.391 2.900 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCCCC[NH+]2CCCC2)C12CCC2 ZINC000925609841 618305157 /nfs/dbraw/zinc/30/51/57/618305157.db2.gz WKWQGXXDIVKVDF-DLBZAZTESA-N 3 0 293.499 2.892 20 0 CFADRP C[C@@H]1CSC[C@@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895113139 618314137 /nfs/dbraw/zinc/31/41/37/618314137.db2.gz UARCYEXATUTHKC-TUVASFSCSA-N 2 0 291.464 2.909 20 0 CFADRP CCC1(O)CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615559 618318535 /nfs/dbraw/zinc/31/85/35/618318535.db2.gz OKQWLDKKIXJPDM-RXFTYZNJSA-N 2 0 268.445 2.566 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)s1 ZINC000925618097 618326329 /nfs/dbraw/zinc/32/63/29/618326329.db2.gz SNMABHUPSYJHGF-HZPDHXFCSA-N 2 0 293.480 2.752 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000893320190 618336043 /nfs/dbraw/zinc/33/60/43/618336043.db2.gz PTWYJDZWXXCTSM-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000925622587 618341635 /nfs/dbraw/zinc/34/16/35/618341635.db2.gz RCIFSVUXXYZHDR-RHSMWYFYSA-N 2 0 289.467 2.927 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000925623861 618344069 /nfs/dbraw/zinc/34/40/69/618344069.db2.gz UHTAEDIQGRUPMH-OALUTQOASA-N 2 0 298.430 2.832 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925627958 618353108 /nfs/dbraw/zinc/35/31/08/618353108.db2.gz CFPQOACIFVQQCV-WMLDXEAASA-N 2 0 288.435 2.748 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925629914 618356798 /nfs/dbraw/zinc/35/67/98/618356798.db2.gz MNROMKQNNWAGHZ-TUKIKUTGSA-N 2 0 259.397 2.565 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925629564 618357607 /nfs/dbraw/zinc/35/76/07/618357607.db2.gz KDKUDTIMZFROQY-SNPRPXQTSA-N 2 0 278.465 2.965 20 0 CFADRP CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925629551 618357849 /nfs/dbraw/zinc/35/78/49/618357849.db2.gz ODTUUYVEBYJXJS-JYJNAYRXSA-N 2 0 280.456 2.844 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925629584 618358057 /nfs/dbraw/zinc/35/80/57/618358057.db2.gz KIJFHRISACATCU-MWNCTCPHSA-N 2 0 292.398 2.761 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925631562 618360169 /nfs/dbraw/zinc/36/01/69/618360169.db2.gz IBBVZNYXRYHTNZ-IKGGRYGDSA-N 2 0 280.456 2.704 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925637845 618373489 /nfs/dbraw/zinc/37/34/89/618373489.db2.gz SZCYLGRPKGKBCL-MRXNPFEDSA-N 2 0 291.414 2.892 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000924884504 618394572 /nfs/dbraw/zinc/39/45/72/618394572.db2.gz ZGJAWVFAWYBNRZ-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CCc1ccc(-c2cc(CC[NH+]3CCC([NH3+])CC3)on2)cc1 ZINC000901389174 620802221 /nfs/dbraw/zinc/80/22/21/620802221.db2.gz LADDWKLUEIUAGL-UHFFFAOYSA-N 2 0 299.418 2.870 20 0 CFADRP CC(C)(CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCC1 ZINC000925650666 618401964 /nfs/dbraw/zinc/40/19/64/618401964.db2.gz QOFYYEVOTJUXTK-CABCVRRESA-N 2 0 281.488 2.604 20 0 CFADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(OC)cc1 ZINC000310638511 618406794 /nfs/dbraw/zinc/40/67/94/618406794.db2.gz RWCCQCBTTJOHJV-AWEZNQCLSA-N 2 0 250.386 2.863 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](O)c1ccccc1 ZINC000925654970 618411793 /nfs/dbraw/zinc/41/17/93/618411793.db2.gz SVGRSFLJCSJOFD-WCXIOVBPSA-N 2 0 288.435 2.604 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCc2cccs2)CC[NH2+]1 ZINC000235697420 618414788 /nfs/dbraw/zinc/41/47/88/618414788.db2.gz OUMIHXYITIIEON-STQMWFEESA-N 2 0 252.427 2.611 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2ccccn2)CCC1 ZINC000925672588 618444721 /nfs/dbraw/zinc/44/47/21/618444721.db2.gz WECYONINVKYSNK-KWOWKCNFSA-N 2 0 285.435 2.609 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925675230 618446423 /nfs/dbraw/zinc/44/64/23/618446423.db2.gz UWARRVWOXFPYMB-UONOGXRCSA-N 2 0 272.383 2.790 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925681776 618464501 /nfs/dbraw/zinc/46/45/01/618464501.db2.gz XSXGDTKVMXABNO-IJLUTSLNSA-N 2 0 296.377 2.840 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CC12CCOCC2)c1ccccc1 ZINC000925682415 618465407 /nfs/dbraw/zinc/46/54/07/618465407.db2.gz WPKHYZPQPCWIQV-IRXDYDNUSA-N 2 0 288.435 2.873 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925683731 618467898 /nfs/dbraw/zinc/46/78/98/618467898.db2.gz VFXBJUGOXGASEG-NRKLIOEPSA-N 2 0 294.483 2.804 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1 ZINC000925684587 618475064 /nfs/dbraw/zinc/47/50/64/618475064.db2.gz IGNUHQJUMXZVFG-MSOLQXFVSA-N 2 0 287.451 2.690 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925684748 618475601 /nfs/dbraw/zinc/47/56/01/618475601.db2.gz CYKKCMAQHJCOKD-WMZOPIPTSA-N 3 0 289.467 2.788 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925685742 618479797 /nfs/dbraw/zinc/47/97/97/618479797.db2.gz OUMOGFBJBQMNAH-UVBJJODRSA-N 2 0 292.398 2.625 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925686708 618479901 /nfs/dbraw/zinc/47/99/01/618479901.db2.gz VSVPJJHXAKSAOC-SRABZTEZSA-N 2 0 288.435 2.794 20 0 CFADRP C[C@@H](CCNCc1cc(O)cc(C(F)(F)F)c1)[NH+](C)C ZINC000895292562 618511927 /nfs/dbraw/zinc/51/19/27/618511927.db2.gz HAAJMGLEICTNTM-JTQLQIEISA-N 2 0 290.329 2.841 20 0 CFADRP C[C@H](CC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1)[NH+](C)C ZINC000895291688 618511944 /nfs/dbraw/zinc/51/19/44/618511944.db2.gz AXLLTZNSVRDBJY-VXGBXAGGSA-N 2 0 270.367 2.998 20 0 CFADRP C[C@@H](CC[NH2+]CC(C)(C)Oc1ccccc1)[NH+](C)C ZINC000895294634 618514132 /nfs/dbraw/zinc/51/41/32/618514132.db2.gz YHEQCKCIOOIHJJ-AWEZNQCLSA-N 2 0 264.413 2.774 20 0 CFADRP C[C@H](CCNCc1cnc(-c2ccncc2)s1)[NH+](C)C ZINC000895293194 618515461 /nfs/dbraw/zinc/51/54/61/618515461.db2.gz WABWHMBVGAMLLP-GFCCVEGCSA-N 2 0 290.436 2.635 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCNc2ccccn2)CC1 ZINC000925126795 618546968 /nfs/dbraw/zinc/54/69/68/618546968.db2.gz QIHQCEGCEWXWIR-UHFFFAOYSA-N 2 0 290.455 2.594 20 0 CFADRP Cc1ccncc1C[N@H+]1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000895378141 618558098 /nfs/dbraw/zinc/55/80/98/618558098.db2.gz HKVDATBHXRHFAU-WBVHZDCISA-N 2 0 275.440 2.942 20 0 CFADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000895379608 618558971 /nfs/dbraw/zinc/55/89/71/618558971.db2.gz MTIRCEUXBJRKDT-YJBOKZPZSA-N 2 0 290.451 2.731 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000892535722 618616811 /nfs/dbraw/zinc/61/68/11/618616811.db2.gz QZWIFCLKDMQOAX-GOSISDBHSA-N 3 0 295.515 2.818 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000926739045 618620611 /nfs/dbraw/zinc/62/06/11/618620611.db2.gz WZAJLGSVBZNVPX-FBTJUVTCSA-N 2 0 277.239 2.500 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)nc1 ZINC000892584065 618642769 /nfs/dbraw/zinc/64/27/69/618642769.db2.gz HFNIAMDAYFYMEJ-HNNXBMFYSA-N 2 0 291.439 2.692 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892592204 618646504 /nfs/dbraw/zinc/64/65/04/618646504.db2.gz OMIGBOBDGBZCQM-JUVOFCAFSA-N 2 0 282.472 2.638 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924578698 618654351 /nfs/dbraw/zinc/65/43/51/618654351.db2.gz QHXAPNMMYGVJJQ-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000926791623 618686413 /nfs/dbraw/zinc/68/64/13/618686413.db2.gz SLMXZWWOXJTHDX-QLPKVWCKSA-N 2 0 282.472 2.758 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000166221065 618703690 /nfs/dbraw/zinc/70/36/90/618703690.db2.gz IDTMOTCEFGYXSG-GFCCVEGCSA-N 2 0 279.428 2.544 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000892688186 618710335 /nfs/dbraw/zinc/71/03/35/618710335.db2.gz ZYLWVJZWYDEQFT-QZTJIDSGSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccc(CC[NH2+]CC2CC[NH+](C)CC2)c(C)c1 ZINC000892720235 618729658 /nfs/dbraw/zinc/72/96/58/618729658.db2.gz LFFZORHEMYQQHJ-UHFFFAOYSA-N 2 0 260.425 2.777 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000892799713 618748573 /nfs/dbraw/zinc/74/85/73/618748573.db2.gz BSJKMYRSHHEFKR-CQSZACIVSA-N 2 0 288.501 2.609 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc[nH]c(=O)c1 ZINC000924607434 618760926 /nfs/dbraw/zinc/76/09/26/618760926.db2.gz JVOFFNXZWAZSGS-CYBMUJFWSA-N 2 0 285.391 2.700 20 0 CFADRP CCn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)c(C)n1 ZINC000892882478 618762976 /nfs/dbraw/zinc/76/29/76/618762976.db2.gz OCCUWSQLACQPOI-UHFFFAOYSA-N 2 0 292.471 2.957 20 0 CFADRP CCN(C)c1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000892907444 618767135 /nfs/dbraw/zinc/76/71/35/618767135.db2.gz WNOCPMYUNNNATF-UHFFFAOYSA-N 2 0 275.440 2.574 20 0 CFADRP CC1(C)OC[C@H](C[NH2+]CCCCCCC[NH+]2CCCC2)O1 ZINC000892935687 618773060 /nfs/dbraw/zinc/77/30/60/618773060.db2.gz AHHUVPWPATZUDY-INIZCTEOSA-N 2 0 298.471 2.774 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000892938204 618774015 /nfs/dbraw/zinc/77/40/15/618774015.db2.gz ZZPHHHZXRIFURL-UHFFFAOYSA-N 2 0 281.469 2.972 20 0 CFADRP CC[NH+]1CCC(C[NH2+]CC2CCC(OC)CC2)CC1 ZINC000892940096 618774735 /nfs/dbraw/zinc/77/47/35/618774735.db2.gz YYUDATYCIJVZBN-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP COCCCC1(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000892946887 618778674 /nfs/dbraw/zinc/77/86/74/618778674.db2.gz RZNVLCFPYIIRNR-HNNXBMFYSA-N 2 0 268.445 2.515 20 0 CFADRP Cc1cccc(O[C@@H](C)C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892955816 618782641 /nfs/dbraw/zinc/78/26/41/618782641.db2.gz MOGCVWVCNDOUNO-HNNXBMFYSA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000924618328 618808089 /nfs/dbraw/zinc/80/80/89/618808089.db2.gz XXHQXOSLVQIGDI-HZPDHXFCSA-N 2 0 268.445 2.512 20 0 CFADRP CCOc1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)o1 ZINC000893065763 618818989 /nfs/dbraw/zinc/81/89/89/618818989.db2.gz BLORXFIRCORGGA-UHFFFAOYSA-N 2 0 280.412 2.890 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000893078447 618823141 /nfs/dbraw/zinc/82/31/41/618823141.db2.gz QTMYFLGYFAGJRU-MRXNPFEDSA-N 2 0 296.842 2.959 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000925507093 618836092 /nfs/dbraw/zinc/83/60/92/618836092.db2.gz ZQFOJIHCJPQHPB-ZIAGYGMSSA-N 2 0 262.397 2.561 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOc2ccccc21 ZINC000925509002 618842896 /nfs/dbraw/zinc/84/28/96/618842896.db2.gz KYBKTXJQEOKPII-JNFTTXTISA-N 2 0 272.392 2.616 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925509100 618842987 /nfs/dbraw/zinc/84/29/87/618842987.db2.gz LIDPMWNAZPVMCG-DLBZAZTESA-N 2 0 275.440 2.541 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc(Cl)c1 ZINC000925509079 618843102 /nfs/dbraw/zinc/84/31/02/618843102.db2.gz KYCSOLOSKIXTTC-YPXDRJKUSA-N 2 0 278.827 2.988 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925509103 618843103 /nfs/dbraw/zinc/84/31/03/618843103.db2.gz LIDPMWNAZPVMCG-SJORKVTESA-N 2 0 275.440 2.541 20 0 CFADRP C[NH+](C)C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925512580 618851032 /nfs/dbraw/zinc/85/10/32/618851032.db2.gz DDRLITFYUFDGEQ-BBWFWOEESA-N 2 0 289.467 2.785 20 0 CFADRP C[C@@H](C[NH2+]Cc1cncc2ccccc21)C[NH+](C)C ZINC000312016833 618854787 /nfs/dbraw/zinc/85/47/87/618854787.db2.gz XQLJKVDSQWDFKO-ZDUSSCGKSA-N 2 0 257.381 2.522 20 0 CFADRP CC(C)COCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925518517 618856645 /nfs/dbraw/zinc/85/66/45/618856645.db2.gz JBZRXXQZPJIUJM-SJORKVTESA-N 2 0 282.472 2.807 20 0 CFADRP CC(C)COCCC[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925522253 618861163 /nfs/dbraw/zinc/86/11/63/618861163.db2.gz YNFQFGURATXFBW-GOEBONIOSA-N 2 0 264.413 2.727 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccsc1 ZINC000925526954 618872808 /nfs/dbraw/zinc/87/28/08/618872808.db2.gz NFXYQYROSALMSF-RRFJBIMHSA-N 2 0 295.496 2.846 20 0 CFADRP CCC(CC)[C@H](CC[NH2+]CC1CC[NH+](C)CC1)OC ZINC000893191887 618874934 /nfs/dbraw/zinc/87/49/34/618874934.db2.gz PJDLPYOKWLGYBK-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]1[NH2+]CCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000925527995 618876208 /nfs/dbraw/zinc/87/62/08/618876208.db2.gz CABZBXAMIZATRI-PBHICJAKSA-N 2 0 279.472 2.514 20 0 CFADRP Cc1csc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925538907 618895589 /nfs/dbraw/zinc/89/55/89/618895589.db2.gz UNQBUEUYDFSKSG-UONOGXRCSA-N 2 0 279.453 2.709 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1(C)C ZINC000925543476 618904121 /nfs/dbraw/zinc/90/41/21/618904121.db2.gz UYXPMIRNBLXXGY-ARFHVFGLSA-N 2 0 276.424 2.870 20 0 CFADRP CCCCCn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(C)n1 ZINC000893259196 618911697 /nfs/dbraw/zinc/91/16/97/618911697.db2.gz OVVOBFZQEPJFDI-UHFFFAOYSA-N 2 0 292.471 2.813 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925550656 618911964 /nfs/dbraw/zinc/91/19/64/618911964.db2.gz MWXXDUBQKYVOHR-NJAFHUGGSA-N 2 0 293.499 2.619 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(C)(C)C ZINC000194441339 618935640 /nfs/dbraw/zinc/93/56/40/618935640.db2.gz RYNYQEVSYSGXSH-UONOGXRCSA-N 2 0 254.418 2.635 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925693933 618940500 /nfs/dbraw/zinc/94/05/00/618940500.db2.gz STXOLCGVAHEROT-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925694208 618941052 /nfs/dbraw/zinc/94/10/52/618941052.db2.gz REEXGWPNVLAOIP-JKSUJKDBSA-N 2 0 275.440 2.540 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1cccnc1 ZINC000925694394 618942280 /nfs/dbraw/zinc/94/22/80/618942280.db2.gz UCNSDWAYLMLFOT-OWCLPIDISA-N 2 0 287.451 2.725 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925696242 618948359 /nfs/dbraw/zinc/94/83/59/618948359.db2.gz YMTCWJBBVQBZDX-KBRIMQKVSA-N 2 0 275.440 2.540 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925700548 618953068 /nfs/dbraw/zinc/95/30/68/618953068.db2.gz UGAUCZXWAJCMFL-NKKGCODLSA-N 3 0 287.451 2.573 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000925701662 618955002 /nfs/dbraw/zinc/95/50/02/618955002.db2.gz CXOPCFOMWSEBFF-RBSFLKMASA-N 2 0 273.424 2.519 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1(F)F ZINC000925705426 618959871 /nfs/dbraw/zinc/95/98/71/618959871.db2.gz BTBPKRUGFNNFLS-MGPQQGTHSA-N 2 0 272.383 2.790 20 0 CFADRP Cc1ccccc1C1([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925706354 618961072 /nfs/dbraw/zinc/96/10/72/618961072.db2.gz NPBJXMZOTJVAHO-LSDHHAIUSA-N 2 0 256.393 2.844 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc(C)n1 ZINC000925706626 618961405 /nfs/dbraw/zinc/96/14/05/618961405.db2.gz NVJZEJDLGNVTHW-HUUCEWRRSA-N 2 0 261.413 2.694 20 0 CFADRP COCc1csc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925709983 618964633 /nfs/dbraw/zinc/96/46/33/618964633.db2.gz PTXDXQOULZZJHY-QWHCGFSZSA-N 2 0 282.453 2.890 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925711895 618966107 /nfs/dbraw/zinc/96/61/07/618966107.db2.gz FLJLKKFYCLKVON-MJBXVCDLSA-N 2 0 270.461 2.933 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925717342 618974911 /nfs/dbraw/zinc/97/49/11/618974911.db2.gz JGTSIJAXVYJYFR-IAGOWNOFSA-N 2 0 273.424 2.648 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000257638302 618983799 /nfs/dbraw/zinc/98/37/99/618983799.db2.gz AAFXECBRYPMMRH-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1nccs1 ZINC000253131704 619002036 /nfs/dbraw/zinc/00/20/36/619002036.db2.gz OZTOGJZXWPTNJH-SRVKXCTJSA-N 2 0 253.415 2.559 20 0 CFADRP CCCSC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000893472012 619010895 /nfs/dbraw/zinc/01/08/95/619010895.db2.gz XNBHGHZPRBVMOT-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893479680 619014423 /nfs/dbraw/zinc/01/44/23/619014423.db2.gz YILZIKODNOKTOJ-AAEUAGOBSA-N 2 0 278.362 2.991 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893486597 619015735 /nfs/dbraw/zinc/01/57/35/619015735.db2.gz BZDMDMGCMLBOQD-WMTDPASSSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000893489562 619016552 /nfs/dbraw/zinc/01/65/52/619016552.db2.gz ZCUDRDZCFBVZTN-NVXWUHKLSA-N 3 0 293.499 2.571 20 0 CFADRP Cc1ccc(C2CC[NH+](CC3CC[NH+](C)CC3)CC2)cn1 ZINC000893507345 619025294 /nfs/dbraw/zinc/02/52/94/619025294.db2.gz AORMROKJCFASBP-UHFFFAOYSA-N 2 0 287.451 2.911 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000925734413 619043889 /nfs/dbraw/zinc/04/38/89/619043889.db2.gz PEYOVUIWANXZCG-TUAOUCFPSA-N 2 0 276.346 2.861 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC(C)(C)[NH3+])cnn1C(C)C ZINC000925736490 619045996 /nfs/dbraw/zinc/04/59/96/619045996.db2.gz AJYPNHCZMLIERU-NSHDSACASA-N 2 0 252.406 2.550 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000925738030 619048165 /nfs/dbraw/zinc/04/81/65/619048165.db2.gz MDCZWMCNFLAYAF-DZGCQCFKSA-N 2 0 261.413 2.825 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000925740278 619050005 /nfs/dbraw/zinc/05/00/05/619050005.db2.gz HNVQUVVMFUNNBZ-ZBFHGGJFSA-N 2 0 276.424 2.871 20 0 CFADRP CCO[C@@H]1C[C@H]([NH+]2CCC([NH3+])(CC)CC2)C12CCCC2 ZINC000925756296 619066396 /nfs/dbraw/zinc/06/63/96/619066396.db2.gz KHDXHMPYKSWVRO-LSDHHAIUSA-N 2 0 280.456 2.928 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)CCCc2cccnc2)CC1 ZINC000925757474 619066981 /nfs/dbraw/zinc/06/69/81/619066981.db2.gz HLQQJLPTUSJXJA-HNNXBMFYSA-N 2 0 275.440 2.996 20 0 CFADRP COC1CCC(CC[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000893563376 619072810 /nfs/dbraw/zinc/07/28/10/619072810.db2.gz DDMANORUMNAOMA-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925775238 619093935 /nfs/dbraw/zinc/09/39/35/619093935.db2.gz PCMKXNXMOLNIFX-UAGQMJEPSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000925783080 619106067 /nfs/dbraw/zinc/10/60/67/619106067.db2.gz BTFRWZDNRXIGRG-PVXIVEMSSA-N 2 0 262.372 2.648 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000094370877 619106513 /nfs/dbraw/zinc/10/65/13/619106513.db2.gz XWGLCPDRGIBRCU-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000925791149 619116350 /nfs/dbraw/zinc/11/63/50/619116350.db2.gz OCNDSCWZGZQYOJ-DYEKYZERSA-N 2 0 262.397 2.738 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925797536 619119391 /nfs/dbraw/zinc/11/93/91/619119391.db2.gz OOBHBQFNCBYFMP-JHJVBQTASA-N 2 0 293.480 2.918 20 0 CFADRP c1ccc(C2(CC[NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925804821 619125286 /nfs/dbraw/zinc/12/52/86/619125286.db2.gz MVRXLUXEJLKSAB-INIZCTEOSA-N 2 0 270.420 2.983 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000925808021 619127625 /nfs/dbraw/zinc/12/76/25/619127625.db2.gz MITDFFJZVBMJLH-NVXWUHKLSA-N 3 0 281.488 2.667 20 0 CFADRP COCc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC000893642852 619139336 /nfs/dbraw/zinc/13/93/36/619139336.db2.gz PZGMVTYKHCDAHS-MRXNPFEDSA-N 2 0 292.423 2.905 20 0 CFADRP COCc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH+](C)CC2)o1 ZINC000893642850 619139358 /nfs/dbraw/zinc/13/93/58/619139358.db2.gz PZGMVTYKHCDAHS-INIZCTEOSA-N 2 0 292.423 2.905 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)nc1 ZINC000925819845 619140055 /nfs/dbraw/zinc/14/00/55/619140055.db2.gz CEYSTZQLBVJEPK-LJIGWXMPSA-N 2 0 271.408 2.510 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000925823543 619144163 /nfs/dbraw/zinc/14/41/63/619144163.db2.gz OFDAACQUMJKGGS-ORBLRFAASA-N 3 0 279.472 2.514 20 0 CFADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1cc(F)ccc1OC ZINC000925826806 619155954 /nfs/dbraw/zinc/15/59/54/619155954.db2.gz JQJITCQABJRXSN-UKRRQHHQSA-N 2 0 298.402 2.629 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@]12CCC[C@H]1OCC2 ZINC000925830017 619160818 /nfs/dbraw/zinc/16/08/18/619160818.db2.gz DXWWTMYXUWTRES-BRSBDYLESA-N 2 0 292.467 2.704 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cnc2ccccc2c1 ZINC000925829809 619161205 /nfs/dbraw/zinc/16/12/05/619161205.db2.gz BTVSUZCCROMREP-SJLPKXTDSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(O)c1 ZINC000925839464 619173266 /nfs/dbraw/zinc/17/32/66/619173266.db2.gz CCFUPEDRNKULHD-DAXOMENPSA-N 2 0 260.381 2.575 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843579 619175999 /nfs/dbraw/zinc/17/59/99/619175999.db2.gz FNXMGMVAGMDRRF-INIZCTEOSA-N 2 0 281.488 2.620 20 0 CFADRP C(CC[NH2+][C@H]1CCCC[C@@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925844693 619176542 /nfs/dbraw/zinc/17/65/42/619176542.db2.gz LOPIMAVGKQARCZ-MSOLQXFVSA-N 2 0 293.499 2.620 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)oc1C ZINC000925845715 619177519 /nfs/dbraw/zinc/17/75/19/619177519.db2.gz HXQLWHQRXUHEMM-OAHLLOKOSA-N 2 0 293.455 2.623 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261641257 619183942 /nfs/dbraw/zinc/18/39/42/619183942.db2.gz WZYKYQLDPNBCRM-GJZGRUSLSA-N 2 0 262.397 2.784 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCSC3(CCC3)C2)C1 ZINC000925854340 619184342 /nfs/dbraw/zinc/18/43/42/619184342.db2.gz AALZKTRZRLPTTD-FRRDWIJNSA-N 2 0 254.443 2.664 20 0 CFADRP CCC[C@@H](O)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925859817 619187060 /nfs/dbraw/zinc/18/70/60/619187060.db2.gz SKBTUYTXBBJICB-CVEARBPZSA-N 2 0 264.413 2.607 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925861412 619188068 /nfs/dbraw/zinc/18/80/68/619188068.db2.gz PKYRAUQXLCSHME-HKGGGCDWSA-N 2 0 280.481 2.910 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@@H](C)CCCC[NH3+])c(F)c1 ZINC000925873773 619194579 /nfs/dbraw/zinc/19/45/79/619194579.db2.gz DEECVPYBUFQUIK-NSHDSACASA-N 2 0 256.340 2.880 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000925874540 619195567 /nfs/dbraw/zinc/19/55/67/619195567.db2.gz SSKHMPQCQUJLNB-BZSNNMDCSA-N 2 0 288.435 2.811 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)c(F)c(F)c1 ZINC000925877330 619197214 /nfs/dbraw/zinc/19/72/14/619197214.db2.gz ORURMISOCVWQAB-NGZCFLSTSA-N 2 0 272.314 2.882 20 0 CFADRP Cc1ccc(NCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)nc1 ZINC000925877841 619197418 /nfs/dbraw/zinc/19/74/18/619197418.db2.gz MMUOAZZCIRVMGS-HZPDHXFCSA-N 2 0 282.391 2.536 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000925879384 619199705 /nfs/dbraw/zinc/19/97/05/619199705.db2.gz CQYUAUFVJJAGFX-XKQJLSEDSA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925880741 619200858 /nfs/dbraw/zinc/20/08/58/619200858.db2.gz OBQQMOLHADIZBY-JQHSSLGASA-N 2 0 288.435 2.798 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)CCS2 ZINC000925882491 619202446 /nfs/dbraw/zinc/20/24/46/619202446.db2.gz NHBFAPHUPMDJLH-TYNCELHUSA-N 2 0 292.448 2.949 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nccs1 ZINC000925886903 619204420 /nfs/dbraw/zinc/20/44/20/619204420.db2.gz MNSKPDVYTOZNMV-XPKDYRNWSA-N 2 0 287.432 2.853 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000893896936 619241977 /nfs/dbraw/zinc/24/19/77/619241977.db2.gz KFYPUCROXSLHRY-OAHLLOKOSA-N 2 0 278.371 2.581 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOC(F)(F)F)C[C@@H]1C ZINC000878163150 619255706 /nfs/dbraw/zinc/25/57/06/619255706.db2.gz OAZIWQYBJDOMCP-NWDGAFQWSA-N 2 0 282.350 2.718 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000924955868 619301468 /nfs/dbraw/zinc/30/14/68/619301468.db2.gz ROOQCQJVHLMCJC-JKSUJKDBSA-N 2 0 270.461 2.638 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924956735 619301693 /nfs/dbraw/zinc/30/16/93/619301693.db2.gz YFXTZKRXFFQDIX-ZDUSSCGKSA-N 2 0 290.407 2.798 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924956747 619301941 /nfs/dbraw/zinc/30/19/41/619301941.db2.gz YHOSHOHVZSUUPW-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1CC(CC[NH2+]CC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000894275050 619302218 /nfs/dbraw/zinc/30/22/18/619302218.db2.gz OEHOTMKPDAQSIW-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924961445 619304636 /nfs/dbraw/zinc/30/46/36/619304636.db2.gz VUEBHFCOGMBJIL-NXHRZFHOSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000924961436 619304654 /nfs/dbraw/zinc/30/46/54/619304654.db2.gz VUEBHFCOGMBJIL-BPQIPLTHSA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000924961730 619304768 /nfs/dbraw/zinc/30/47/68/619304768.db2.gz BBQDXYWTNRAOOM-QGZVFWFLSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)s1 ZINC000261935242 619329303 /nfs/dbraw/zinc/32/93/03/619329303.db2.gz DDDDZRDTCOZBTK-UHFFFAOYSA-N 2 0 264.438 2.940 20 0 CFADRP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925046734 619356462 /nfs/dbraw/zinc/35/64/62/619356462.db2.gz RKXGRCFADDEDTO-NVXWUHKLSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@H](C[NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCCC1 ZINC000894374893 619356773 /nfs/dbraw/zinc/35/67/73/619356773.db2.gz GNEZYLDUVMITAO-QGZVFWFLSA-N 2 0 295.515 2.820 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000894375758 619356915 /nfs/dbraw/zinc/35/69/15/619356915.db2.gz NPMKVJQXIVGJGK-ZWKOTPCHSA-N 2 0 295.515 2.820 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn(C)cn1 ZINC000925048016 619357923 /nfs/dbraw/zinc/35/79/23/619357923.db2.gz CXTLGZDUYDNESD-OAHLLOKOSA-N 2 0 278.444 2.727 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@]2(C)CCOC2)CC1 ZINC000925053717 619360257 /nfs/dbraw/zinc/36/02/57/619360257.db2.gz JYLFCPPQIIPOFS-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc2c(c1)C[N@H+](CC1CC[NH+](C)CC1)CCO2 ZINC000894413055 619375683 /nfs/dbraw/zinc/37/56/83/619375683.db2.gz KMKAZJFGBAJWLE-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000894454874 619390656 /nfs/dbraw/zinc/39/06/56/619390656.db2.gz BFMHGKINLOHHSX-HPUBIQBYSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(c3cccnc3)CC2)CC1 ZINC000894455567 619390998 /nfs/dbraw/zinc/39/09/98/619390998.db2.gz FMCYBBLSXFOIPB-UHFFFAOYSA-N 2 0 273.424 2.603 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3cccc4c3OCC4)C2)C1 ZINC000894621993 619431190 /nfs/dbraw/zinc/43/11/90/619431190.db2.gz DWBUGKJQZRIIQB-SFHVURJKSA-N 2 0 286.419 2.539 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccnn3C3CCC3)C2)C1 ZINC000894622336 619431271 /nfs/dbraw/zinc/43/12/71/619431271.db2.gz HBEAPVHKTRQNPI-QGZVFWFLSA-N 2 0 288.439 2.526 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cn3)C2)CC1 ZINC000894779503 619464252 /nfs/dbraw/zinc/46/42/52/619464252.db2.gz GSGBNSSLJPYBRO-CQSZACIVSA-N 2 0 293.842 2.899 20 0 CFADRP Cc1cccc(CC2C[NH+](CC3CC[NH+](C)CC3)C2)c1 ZINC000894821304 619472919 /nfs/dbraw/zinc/47/29/19/619472919.db2.gz WJUUHCAMWQGLJO-UHFFFAOYSA-N 2 0 272.436 2.811 20 0 CFADRP C[NH+](C)Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)c1 ZINC000894906734 619509961 /nfs/dbraw/zinc/50/99/61/619509961.db2.gz BBVCTHKKGZZLOA-GOOCMWNKSA-N 2 0 291.414 2.924 20 0 CFADRP CCCSC[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000894979591 619520998 /nfs/dbraw/zinc/52/09/98/619520998.db2.gz XYTNZFWXQAGCFL-HSBZDZAISA-N 2 0 258.475 2.981 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC1 ZINC000895558017 619554737 /nfs/dbraw/zinc/55/47/37/619554737.db2.gz ZBLDCQFJRGZABS-GVDBMIGSSA-N 2 0 290.838 2.910 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccoc1 ZINC000895686969 619583347 /nfs/dbraw/zinc/58/33/47/619583347.db2.gz XLPGHWUCHAGMPI-UHFFFAOYSA-N 2 0 250.386 2.978 20 0 CFADRP Cc1ccnc(N)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895682455 619585375 /nfs/dbraw/zinc/58/53/75/619585375.db2.gz DLJCIFWOCFYXAK-UHFFFAOYSA-N 2 0 290.455 2.670 20 0 CFADRP CCn1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c(C)n1 ZINC000895764301 619602366 /nfs/dbraw/zinc/60/23/66/619602366.db2.gz HOTVPFHVNJMTQO-UHFFFAOYSA-N 2 0 292.471 2.812 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC(CC)([NH+]2CCC2)CC1)OC ZINC000895823154 619615382 /nfs/dbraw/zinc/61/53/82/619615382.db2.gz UOVLGQNTUFHMGO-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP C[NH+](C)CC[C@@H](NC[C@]1(C)CCCS1)c1cccnc1 ZINC000896724994 619794889 /nfs/dbraw/zinc/79/48/89/619794889.db2.gz YEVRGKKWUHWCIZ-CVEARBPZSA-N 2 0 293.480 2.950 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000896888004 619860410 /nfs/dbraw/zinc/86/04/10/619860410.db2.gz VRBUXGUKSMVJCG-HZPDHXFCSA-N 2 0 294.389 2.967 20 0 CFADRP Cc1ccc(OC[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000054243415 619862846 /nfs/dbraw/zinc/86/28/46/619862846.db2.gz JDQSAZNXCUEBCW-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCO1 ZINC000896923928 619893774 /nfs/dbraw/zinc/89/37/74/619893774.db2.gz NIPODQKYCLNFIY-KRWDZBQOSA-N 2 0 289.423 2.599 20 0 CFADRP CC1(O)CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000896950201 619903049 /nfs/dbraw/zinc/90/30/49/619903049.db2.gz CWKIEUNYSBVPQQ-UHFFFAOYSA-N 2 0 280.456 2.677 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000925140422 619937042 /nfs/dbraw/zinc/93/70/42/619937042.db2.gz PPLXNAKDJJCGLA-MRXNPFEDSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000925145636 619970200 /nfs/dbraw/zinc/97/02/00/619970200.db2.gz BSTDHRYMONPZPY-ZQIUZPCESA-N 2 0 276.424 2.824 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000925220950 620034173 /nfs/dbraw/zinc/03/41/73/620034173.db2.gz KSWXYYBTJOXZHY-YYIAUSFCSA-N 2 0 282.472 2.780 20 0 CFADRP CC1(C)CC([NH2+]C[C@H](O)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000840733022 620090011 /nfs/dbraw/zinc/09/00/11/620090011.db2.gz KXKKGGODGWKQSM-HNNXBMFYSA-N 2 0 276.424 2.619 20 0 CFADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000897445977 620174579 /nfs/dbraw/zinc/17/45/79/620174579.db2.gz BHAWMYGDEWEPAL-UHFFFAOYSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC(C)(C)CO2)[C@H](C)C1 ZINC000897475725 620181878 /nfs/dbraw/zinc/18/18/78/620181878.db2.gz AZMIUCLTEVMSAO-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)OC1 ZINC000897476760 620182598 /nfs/dbraw/zinc/18/25/98/620182598.db2.gz XBHVYOKCAQZWGM-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925283102 620186450 /nfs/dbraw/zinc/18/64/50/620186450.db2.gz RIBZNIXWDAXBKG-CZUORRHYSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC000841007972 620214797 /nfs/dbraw/zinc/21/47/97/620214797.db2.gz LQAIXFUJTIXZFV-ZIAGYGMSSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cncs1 ZINC000897930101 620305184 /nfs/dbraw/zinc/30/51/84/620305184.db2.gz IRXVRNOTDASCRV-GHMZBOCLSA-N 2 0 253.415 2.667 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)CO)ccc1OC ZINC000183043524 625417053 /nfs/dbraw/zinc/41/70/53/625417053.db2.gz BHIDRRCOSIMROA-KBPBESRZSA-N 2 0 294.439 2.568 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](c2ccncc2)C2CC2)CC1 ZINC000898322989 620366141 /nfs/dbraw/zinc/36/61/41/620366141.db2.gz VVFBCQNZAQDQAN-QGZVFWFLSA-N 2 0 273.424 2.995 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000898375340 620377157 /nfs/dbraw/zinc/37/71/57/620377157.db2.gz DFVYFQSUVCAFMH-DLBZAZTESA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000866470345 620407910 /nfs/dbraw/zinc/40/79/10/620407910.db2.gz WEGBCBNQZIDLOL-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)c(Cl)n2)CC1 ZINC000866661416 620414753 /nfs/dbraw/zinc/41/47/53/620414753.db2.gz POGFWZBMGNQKHV-UHFFFAOYSA-N 2 0 281.831 2.865 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000926913121 620419331 /nfs/dbraw/zinc/41/93/31/620419331.db2.gz BQULREBDNZRMRV-STQMWFEESA-N 2 0 294.361 2.560 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924627072 620420405 /nfs/dbraw/zinc/42/04/05/620420405.db2.gz CRMWYDOMLPPSQR-CVEARBPZSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1COC[C@H]1C ZINC000924658236 620434733 /nfs/dbraw/zinc/43/47/33/620434733.db2.gz PBMWTLSZOWWYFC-PBHICJAKSA-N 2 0 276.424 2.651 20 0 CFADRP C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)c1ncco1 ZINC000924684355 620440240 /nfs/dbraw/zinc/44/02/40/620440240.db2.gz FCYWOXOIKVCBPH-ZIAGYGMSSA-N 2 0 265.401 2.980 20 0 CFADRP CCC[C@@H](O)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000927020169 620440649 /nfs/dbraw/zinc/44/06/49/620440649.db2.gz IEYWVBOPPMUSSP-AQFXKWCLSA-N 2 0 282.472 2.924 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CO1 ZINC000927035956 620444995 /nfs/dbraw/zinc/44/49/95/620444995.db2.gz DINAECCPQZREMB-BBBYJDLNSA-N 2 0 266.429 2.551 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CO1 ZINC000927035958 620445072 /nfs/dbraw/zinc/44/50/72/620445072.db2.gz DINAECCPQZREMB-NPCAHTBFSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@@H]2CCC[C@H]21 ZINC000927089474 620451615 /nfs/dbraw/zinc/45/16/15/620451615.db2.gz BKPCPDRCUGXVKC-YESZJQIVSA-N 2 0 286.419 2.584 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000924715801 620451966 /nfs/dbraw/zinc/45/19/66/620451966.db2.gz MYMMIGYHUCFCEK-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCOC12CCCCC2)C[NH+]1CCCC1 ZINC000924715837 620452069 /nfs/dbraw/zinc/45/20/69/620452069.db2.gz NATRFZHLAAFLRN-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924726662 620455612 /nfs/dbraw/zinc/45/56/12/620455612.db2.gz PWADBEDXDAWEGG-GDBMZVCRSA-N 2 0 276.424 2.825 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000898444230 620465704 /nfs/dbraw/zinc/46/57/04/620465704.db2.gz HYKZSKMEGHFLBR-CVEARBPZSA-N 2 0 292.398 2.811 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc(F)c2)[C@@H](C)C1 ZINC000898444708 620466143 /nfs/dbraw/zinc/46/61/43/620466143.db2.gz KTWOJKABWKCOBV-YOEHRIQHSA-N 2 0 294.414 2.915 20 0 CFADRP C[C@@H]1CCC[C@](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)(N(C)C)C1 ZINC000924737075 620486711 /nfs/dbraw/zinc/48/67/11/620486711.db2.gz DNOGUVLBEIITQA-NRKLIOEPSA-N 2 0 282.472 2.758 20 0 CFADRP C[NH+](C)CCc1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)cc1 ZINC000899322170 620543596 /nfs/dbraw/zinc/54/35/96/620543596.db2.gz DUQYMFHTJBJTCJ-IBGZPJMESA-N 2 0 280.415 2.884 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899324304 620543995 /nfs/dbraw/zinc/54/39/95/620543995.db2.gz VKQFVVFXPYEREK-CYBMUJFWSA-N 2 0 284.407 2.530 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000111273282 620581726 /nfs/dbraw/zinc/58/17/26/620581726.db2.gz XPKHRYBNRAAOAI-YPMHNXCESA-N 2 0 252.789 2.627 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000111273274 620581900 /nfs/dbraw/zinc/58/19/00/620581900.db2.gz RDXIOZWANLEGIF-YPMHNXCESA-N 2 0 252.789 2.627 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)ccc2NC)C1 ZINC000902092291 620977066 /nfs/dbraw/zinc/97/70/66/620977066.db2.gz CVZPEQOCPNPDPH-OAHLLOKOSA-N 2 0 275.440 2.858 20 0 CFADRP CCNc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000902225730 621001691 /nfs/dbraw/zinc/00/16/91/621001691.db2.gz XTBJVCJGCYKXLN-CQSZACIVSA-N 2 0 261.413 2.550 20 0 CFADRP CNc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000902302694 621027395 /nfs/dbraw/zinc/02/73/95/621027395.db2.gz WZMACDJUNMDJAW-HUUCEWRRSA-N 2 0 261.413 2.691 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2COc3ccccc3C2)C1 ZINC000902315159 621030724 /nfs/dbraw/zinc/03/07/24/621030724.db2.gz KOMCAZAQIBCOGD-ZBFHGGJFSA-N 2 0 288.435 2.606 20 0 CFADRP CN(CCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902331936 621039091 /nfs/dbraw/zinc/03/90/91/621039091.db2.gz WNLPPXAOGAJRFV-INIZCTEOSA-N 2 0 289.467 2.881 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC000902333881 621039855 /nfs/dbraw/zinc/03/98/55/621039855.db2.gz MNNIFVWARMXCLF-MRXNPFEDSA-N 2 0 276.424 2.571 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1cccc(F)c1 ZINC000902334430 621040591 /nfs/dbraw/zinc/04/05/91/621040591.db2.gz TXHFXHVEBAKWJX-DZGCQCFKSA-N 2 0 294.414 2.961 20 0 CFADRP CS[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902336639 621041550 /nfs/dbraw/zinc/04/15/50/621041550.db2.gz ZNGFOWROPWGSNK-FRRDWIJNSA-N 2 0 256.459 2.638 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902368650 621043213 /nfs/dbraw/zinc/04/32/13/621043213.db2.gz HFQGUEGXPKKULI-HRCADAONSA-N 2 0 282.472 2.948 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCSCC(F)(F)F)C1 ZINC000902368811 621043351 /nfs/dbraw/zinc/04/33/51/621043351.db2.gz GZWLCEVVOKFASD-JTQLQIEISA-N 2 0 284.391 2.650 20 0 CFADRP CC(C)CSCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902368790 621043496 /nfs/dbraw/zinc/04/34/96/621043496.db2.gz GUDZTBYTULHNKU-ZDUSSCGKSA-N 2 0 258.475 2.743 20 0 CFADRP C[C@@H](CCN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+]1CCCCC1 ZINC000902374488 621045684 /nfs/dbraw/zinc/04/56/84/621045684.db2.gz MYIMMPMYHOKTIJ-JKSUJKDBSA-N 2 0 281.488 2.619 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nccs1 ZINC000902375452 621046309 /nfs/dbraw/zinc/04/63/09/621046309.db2.gz VVKISBMNXXULRQ-NEPJUHHUSA-N 2 0 267.442 2.614 20 0 CFADRP CSCCCCC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376698 621047039 /nfs/dbraw/zinc/04/70/39/621047039.db2.gz MOSFQWMGPAYWES-ZDUSSCGKSA-N 2 0 258.475 2.888 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902351120 621048156 /nfs/dbraw/zinc/04/81/56/621048156.db2.gz XEQMCFDIYUACCV-CYBMUJFWSA-N 2 0 281.469 2.670 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCCO1 ZINC000902352773 621048740 /nfs/dbraw/zinc/04/87/40/621048740.db2.gz UBAFEVFBICXMQO-HUUCEWRRSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1 ZINC000902363375 621053493 /nfs/dbraw/zinc/05/34/93/621053493.db2.gz LVCUMYWKITYXTF-CABCVRRESA-N 2 0 276.424 2.822 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902381968 621059043 /nfs/dbraw/zinc/05/90/43/621059043.db2.gz AFJPVUOWAIGVHA-IAGOWNOFSA-N 2 0 290.451 2.705 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000902383292 621059613 /nfs/dbraw/zinc/05/96/13/621059613.db2.gz KXCYYKAQQLCGNX-NEPJUHHUSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](CO)C2CCCCC2)C1 ZINC000902385853 621060026 /nfs/dbraw/zinc/06/00/26/621060026.db2.gz AOXVJGQKEJPKJD-JKSUJKDBSA-N 2 0 282.472 2.543 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902386291 621060062 /nfs/dbraw/zinc/06/00/62/621060062.db2.gz FFCOMORDWDRDRN-OAHLLOKOSA-N 2 0 275.440 2.690 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902389379 621061395 /nfs/dbraw/zinc/06/13/95/621061395.db2.gz UFXTZFPJJVPQOC-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000902390808 621061865 /nfs/dbraw/zinc/06/18/65/621061865.db2.gz BOKCDRBHMYIZEQ-RUXDESIVSA-N 2 0 256.409 2.883 20 0 CFADRP CC(C)[C@@H]([NH3+])CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902391993 621062508 /nfs/dbraw/zinc/06/25/08/621062508.db2.gz DIQVVKOEWWPIDF-JKSUJKDBSA-N 3 0 299.409 2.708 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1C ZINC000902396838 621065645 /nfs/dbraw/zinc/06/56/45/621065645.db2.gz HDJBAPGVYPYSTQ-OAHLLOKOSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H]2CCCS2)C1 ZINC000902398463 621065947 /nfs/dbraw/zinc/06/59/47/621065947.db2.gz PSRJMNJZUXOJKA-OLZOCXBDSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@@]1(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902398282 621066066 /nfs/dbraw/zinc/06/60/66/621066066.db2.gz JQIYMOHTUUKZFC-WCQYABFASA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000902399792 621066613 /nfs/dbraw/zinc/06/66/13/621066613.db2.gz MMAYAQYUNIDBLQ-KBXIAJHMSA-N 2 0 250.430 2.790 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CC1)C1(c2ccccc2)CCCC1 ZINC000902403743 621068604 /nfs/dbraw/zinc/06/86/04/621068604.db2.gz AVYIUBYPSLUEQG-AWEZNQCLSA-N 2 0 258.409 2.968 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)C1 ZINC000902403277 621068740 /nfs/dbraw/zinc/06/87/40/621068740.db2.gz QXEOYGYFMQXJRG-LSDHHAIUSA-N 2 0 280.456 2.704 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)OC1 ZINC000902428739 621076204 /nfs/dbraw/zinc/07/62/04/621076204.db2.gz HIZLQYGFBIPCGU-HUUCEWRRSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C1CC1 ZINC000902430197 621076788 /nfs/dbraw/zinc/07/67/88/621076788.db2.gz HTKGEMYAHQLALO-BBRMVZONSA-N 2 0 260.425 2.971 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000902430945 621077321 /nfs/dbraw/zinc/07/73/21/621077321.db2.gz KCXPRSXFSOZAFX-MRXNPFEDSA-N 2 0 290.455 2.551 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@H](C)c1nc2ccccc2s1 ZINC000902413924 621084205 /nfs/dbraw/zinc/08/42/05/621084205.db2.gz PQZZJZNMZILLRY-WDEREUQCSA-N 2 0 275.421 2.869 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902453227 621092981 /nfs/dbraw/zinc/09/29/81/621092981.db2.gz NZHKFPHGSHLBJL-LHAJWOIZSA-N 2 0 266.335 2.680 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902453221 621093177 /nfs/dbraw/zinc/09/31/77/621093177.db2.gz NVSJEUIQOWGPFY-MRVWCRGKSA-N 2 0 298.377 2.554 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CCS1 ZINC000902455768 621094392 /nfs/dbraw/zinc/09/43/92/621094392.db2.gz YYGBSQGQTWMNIB-CHWSQXEVSA-N 2 0 268.470 2.925 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)O1 ZINC000902463009 621097544 /nfs/dbraw/zinc/09/75/44/621097544.db2.gz YRNWTICXDFFJRR-QKPAOTATSA-N 2 0 280.456 2.844 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902490972 621102257 /nfs/dbraw/zinc/10/22/57/621102257.db2.gz ZKIOMUCIJPNLDA-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1OCC ZINC000902490962 621102375 /nfs/dbraw/zinc/10/23/75/621102375.db2.gz ZHZFWVQIVQXQRD-UMVBOHGHSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000902501875 621106381 /nfs/dbraw/zinc/10/63/81/621106381.db2.gz CUQFVBGDIWGLKZ-KGLIPLIRSA-N 2 0 278.444 2.851 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000902484109 621110435 /nfs/dbraw/zinc/11/04/35/621110435.db2.gz CUZVKGOVFVPDJF-DJSGYFEHSA-N 2 0 278.827 2.988 20 0 CFADRP COc1cccc2cc([C@H](C)[NH2+][C@H]3C[C@H](C[NH3+])C3)oc21 ZINC000902485977 621111465 /nfs/dbraw/zinc/11/14/65/621111465.db2.gz DHNMBCCBBVAIMI-GVXVVHGQSA-N 2 0 274.364 2.829 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000902487430 621111942 /nfs/dbraw/zinc/11/19/42/621111942.db2.gz GHEHAPIUVDDLBB-NHCYSSNCSA-N 2 0 288.313 2.973 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000902489398 621112985 /nfs/dbraw/zinc/11/29/85/621112985.db2.gz QBMNZIPUNURGIV-GIPNMCIBSA-N 2 0 266.385 2.690 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000902489291 621113147 /nfs/dbraw/zinc/11/31/47/621113147.db2.gz OBNMGELJZDNDTE-FXPVBKGRSA-N 2 0 288.313 2.815 20 0 CFADRP C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cnccc1N ZINC000902516384 621114887 /nfs/dbraw/zinc/11/48/87/621114887.db2.gz CXSSEHVJYZCIFF-IINYFYTJSA-N 2 0 287.794 2.966 20 0 CFADRP C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1cnccc1N ZINC000902516386 621115327 /nfs/dbraw/zinc/11/53/27/621115327.db2.gz CXSSEHVJYZCIFF-YGRLFVJLSA-N 2 0 287.794 2.966 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1Cc3ccc(Cl)cc3C1)[NH2+]2 ZINC000902518366 621115690 /nfs/dbraw/zinc/11/56/90/621115690.db2.gz PWFCEBTUEXQEGG-XHLKGYDDSA-N 2 0 290.838 2.926 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1cccc(F)c1 ZINC000902518380 621115710 /nfs/dbraw/zinc/11/57/10/621115710.db2.gz PYTQBAYTZPNDAL-XJKSGUPXSA-N 2 0 280.387 2.572 20 0 CFADRP CNc1ccc(C)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000902597860 621132254 /nfs/dbraw/zinc/13/22/54/621132254.db2.gz ZMGLYWQQSCEGOM-HNNXBMFYSA-N 2 0 275.440 2.858 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841073653 621140417 /nfs/dbraw/zinc/14/04/17/621140417.db2.gz VMJCHUFGNRAMCU-CQSZACIVSA-N 2 0 282.815 2.970 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCOCC1 ZINC000902742394 621163215 /nfs/dbraw/zinc/16/32/15/621163215.db2.gz OYSDAUNYXSURJM-MAUKXSAKSA-N 2 0 294.483 2.902 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902745612 621163653 /nfs/dbraw/zinc/16/36/53/621163653.db2.gz RNEPQINGVWVZJX-IAGOWNOFSA-N 2 0 293.499 2.572 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC(C)C)C2CCOCC2)C1 ZINC000902752051 621164736 /nfs/dbraw/zinc/16/47/36/621164736.db2.gz FXMAXWZIIPKVAC-WBVHZDCISA-N 2 0 282.472 2.759 20 0 CFADRP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)c(C)c1 ZINC000902765922 621169380 /nfs/dbraw/zinc/16/93/80/621169380.db2.gz CIQFYDVQJJJEHI-UKRRQHHQSA-N 2 0 290.407 2.526 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902780891 621172277 /nfs/dbraw/zinc/17/22/77/621172277.db2.gz XBJKHEABTKZIMV-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902791907 621177828 /nfs/dbraw/zinc/17/78/28/621177828.db2.gz ZOWBRULNCBECJC-MUJYYYPQSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000902797437 621180192 /nfs/dbraw/zinc/18/01/92/621180192.db2.gz VYIHVZFPRKEHPX-NVXWUHKLSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902852821 621185980 /nfs/dbraw/zinc/18/59/80/621185980.db2.gz CZTRGMSVDLMSIT-FIDHJVLJSA-N 2 0 292.467 2.652 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902881370 621198763 /nfs/dbraw/zinc/19/87/63/621198763.db2.gz PDYHHUSXKYXKTO-DFEHZGFQSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)[NH+]1CCCCC1 ZINC000902950375 621212611 /nfs/dbraw/zinc/21/26/11/621212611.db2.gz HRSZCPPCNXVKFD-GQLSEVEHSA-N 2 0 292.467 2.654 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000902978858 621216710 /nfs/dbraw/zinc/21/67/10/621216710.db2.gz LFSDKRFFIRWDNR-OTBWCIGPSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+]1CCCCC1 ZINC000903075545 621243854 /nfs/dbraw/zinc/24/38/54/621243854.db2.gz ZBXYBOXCOCFHPY-DUZACMNTSA-N 2 0 291.483 2.608 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H](C)CC[C@@H](C)[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000903090837 621248713 /nfs/dbraw/zinc/24/87/13/621248713.db2.gz IBWGULWFENEKAX-HSFUPAIVSA-N 2 0 295.515 2.530 20 0 CFADRP FC(F)(F)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903111756 621257091 /nfs/dbraw/zinc/25/70/91/621257091.db2.gz WNZHOLFQNNUJHS-CLYYMRHHSA-N 2 0 262.319 2.686 20 0 CFADRP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc2c1COC2 ZINC000903126046 621261747 /nfs/dbraw/zinc/26/17/47/621261747.db2.gz PKPPLLDMBXCOFE-JLYLLQBASA-N 2 0 298.430 2.964 20 0 CFADRP C([NH2+][C@H]1CCOC12CCCC2)C1CC[NH+](C2CC2)CC1 ZINC000903159356 621270923 /nfs/dbraw/zinc/27/09/23/621270923.db2.gz GYDWAJJFMSKIPJ-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3)[C@H](C)C1 ZINC000903161193 621271129 /nfs/dbraw/zinc/27/11/29/621271129.db2.gz CZJKJHMPNNAHAB-MOTUXRJWSA-N 2 0 282.497 2.981 20 0 CFADRP C1CC1[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903150701 621273460 /nfs/dbraw/zinc/27/34/60/621273460.db2.gz AQASRXIVKCTOST-LHCMDFTLSA-N 2 0 290.451 2.691 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCOC23CCCC3)CC[NH+](C)CC1 ZINC000903171437 621273664 /nfs/dbraw/zinc/27/36/64/621273664.db2.gz FZCVHCSBYKLWHQ-CQSZACIVSA-N 2 0 298.496 2.505 20 0 CFADRP CO[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903174228 621274234 /nfs/dbraw/zinc/27/42/34/621274234.db2.gz GUGJGZQTLVZWFP-CVGRLMLNSA-N 2 0 278.440 2.549 20 0 CFADRP C(CC[NH2+][C@H]1CCOC12CCCC2)CC[NH+]1CCCC1 ZINC000903177946 621275753 /nfs/dbraw/zinc/27/57/53/621275753.db2.gz SKCJQCOIIIYZJP-INIZCTEOSA-N 2 0 280.456 2.944 20 0 CFADRP CC[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)OC ZINC000903180251 621277023 /nfs/dbraw/zinc/27/70/23/621277023.db2.gz YPBUFIQIQQUUOX-YPAMNDHTSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000903194080 621281075 /nfs/dbraw/zinc/28/10/75/621281075.db2.gz YYEGLLRIYWTUMQ-YOEHRIQHSA-N 2 0 283.419 2.850 20 0 CFADRP CCC[C@@H](C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903195429 621281284 /nfs/dbraw/zinc/28/12/84/621281284.db2.gz YBADUKOGQIUGHY-IBWRZXHSSA-N 2 0 280.456 2.531 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903196421 621281829 /nfs/dbraw/zinc/28/18/29/621281829.db2.gz OANPUZDBVHPPAF-ZVRJUHEZSA-N 2 0 285.435 2.760 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903196451 621281889 /nfs/dbraw/zinc/28/18/89/621281889.db2.gz OPDOKFNFOVCXLU-CVGRLMLNSA-N 2 0 291.483 2.607 20 0 CFADRP O[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCCC1 ZINC000903212763 621289527 /nfs/dbraw/zinc/28/95/27/621289527.db2.gz LHHLAPFJWLDJFS-NXCDMZCRSA-N 2 0 292.467 2.675 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1C[C@H]2CCC[C@@H]2O1 ZINC000903217187 621291080 /nfs/dbraw/zinc/29/10/80/621291080.db2.gz QWRNRMIZIJCRQN-NILSXDILSA-N 2 0 290.451 2.691 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000903244185 621295675 /nfs/dbraw/zinc/29/56/75/621295675.db2.gz NTYWPUQQAPYXCP-SOUVJXGZSA-N 2 0 250.430 2.885 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1C[C@H]3CCC[C@H]31)C2 ZINC000903318259 621331167 /nfs/dbraw/zinc/33/11/67/621331167.db2.gz PSGGHFGYGOLOHR-OSEWGYIFSA-N 2 0 260.425 2.922 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)C1CC[NH+](C)CC1 ZINC000903338466 621333889 /nfs/dbraw/zinc/33/38/89/621333889.db2.gz IDYPUJNUZALCNI-CXAGYDPISA-N 2 0 273.424 2.853 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000903353975 621345670 /nfs/dbraw/zinc/34/56/70/621345670.db2.gz QBXDFNUMVBPVLR-ZNMIVQPWSA-N 2 0 298.471 2.674 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C1CCCCC1)c1cccnc1 ZINC000903383110 621356255 /nfs/dbraw/zinc/35/62/55/621356255.db2.gz JQUVSHRCUDLCGC-MRXNPFEDSA-N 2 0 261.413 2.997 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903426445 621370212 /nfs/dbraw/zinc/37/02/12/621370212.db2.gz JHKQMGZNIDUQKO-RBSFLKMASA-N 2 0 282.378 2.998 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000903426952 621370647 /nfs/dbraw/zinc/37/06/47/621370647.db2.gz OEVYYFNMXQMPOK-FRRDWIJNSA-N 2 0 250.411 2.741 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426379 621370656 /nfs/dbraw/zinc/37/06/56/621370656.db2.gz IZOWZTXNGVPHPD-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000903429608 621371377 /nfs/dbraw/zinc/37/13/77/621371377.db2.gz IZSVOULJDSOSSK-KBMXLJTQSA-N 2 0 276.449 2.632 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000903430543 621372041 /nfs/dbraw/zinc/37/20/41/621372041.db2.gz WAJKLAUFAKIKPF-INWMFGNUSA-N 2 0 262.372 2.818 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000903439700 621376741 /nfs/dbraw/zinc/37/67/41/621376741.db2.gz LVZNVDSHMRXUBM-CBZIJGRNSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903440901 621377912 /nfs/dbraw/zinc/37/79/12/621377912.db2.gz VECDSBLTIBFIMM-DOPJRALCSA-N 2 0 288.435 2.824 20 0 CFADRP CCS[C@H]1CC[C@@H]([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903441482 621377954 /nfs/dbraw/zinc/37/79/54/621377954.db2.gz UREMYLOUSAMRSS-RQJABVFESA-N 2 0 256.459 2.720 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000903422644 621378987 /nfs/dbraw/zinc/37/89/87/621378987.db2.gz HKSHSWSHJZKCFN-CYBMUJFWSA-N 2 0 264.438 2.840 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1C[NH3+] ZINC000903458809 621380272 /nfs/dbraw/zinc/38/02/72/621380272.db2.gz KHOXBQFFDKOHAV-DOMZBBRYSA-N 2 0 257.381 2.585 20 0 CFADRP CN(C)c1cccc([C@H]2CCCN2C[C@H]2CCC[NH2+]2)c1 ZINC000903443836 621383071 /nfs/dbraw/zinc/38/30/71/621383071.db2.gz JVXJTYWNIMEMGS-NVXWUHKLSA-N 2 0 273.424 2.642 20 0 CFADRP FC1(F)[C@@H](CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000903452038 621387006 /nfs/dbraw/zinc/38/70/06/621387006.db2.gz GRSUXCQNLNHSDE-UGUYLWEFSA-N 2 0 292.373 2.719 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903452827 621387609 /nfs/dbraw/zinc/38/76/09/621387609.db2.gz RZHWYHKWGCJZER-CYBMUJFWSA-N 2 0 260.372 2.743 20 0 CFADRP c1cc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2[nH]1 ZINC000903454142 621388322 /nfs/dbraw/zinc/38/83/22/621388322.db2.gz VUABGINQQCQLPF-SJORKVTESA-N 2 0 283.419 2.989 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472423 621389648 /nfs/dbraw/zinc/38/96/48/621389648.db2.gz YPVKRYWVWKLGSZ-NVXWUHKLSA-N 2 0 270.420 2.981 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)cc1F ZINC000903474071 621389857 /nfs/dbraw/zinc/38/98/57/621389857.db2.gz HLLUDSLUYHTSGM-SNPRPXQTSA-N 2 0 292.398 2.751 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C(C)C ZINC000903476428 621390677 /nfs/dbraw/zinc/39/06/77/621390677.db2.gz WOTJCMJVOWROAF-GOEBONIOSA-N 2 0 270.461 2.602 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000903479046 621391359 /nfs/dbraw/zinc/39/13/59/621391359.db2.gz RAGDHGAIEIXAPR-YXJHDRRASA-N 2 0 270.420 2.704 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)n1 ZINC000903481694 621391748 /nfs/dbraw/zinc/39/17/48/621391748.db2.gz JZZJUZFUHZVGFU-ZNMIVQPWSA-N 2 0 293.480 2.833 20 0 CFADRP CC1(C)C[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)C(C)(C)O1 ZINC000903481669 621391782 /nfs/dbraw/zinc/39/17/82/621391782.db2.gz JJXKWIJFTJQUSV-KBPBESRZSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]1C[N@H+](Cc2noc3c2CC(C)(C)CC3)C[C@H]1CC[NH3+] ZINC000903498882 621394064 /nfs/dbraw/zinc/39/40/64/621394064.db2.gz MMZWHZINWWYCSK-CHWSQXEVSA-N 2 0 291.439 2.606 20 0 CFADRP C[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)C[C@H]1CC[NH3+] ZINC000903497069 621394665 /nfs/dbraw/zinc/39/46/65/621394665.db2.gz OYLJHBIOHLVPAM-VXGBXAGGSA-N 2 0 284.806 2.938 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903490740 621394681 /nfs/dbraw/zinc/39/46/81/621394681.db2.gz GCLJIVFBTLEQRN-SJORKVTESA-N 2 0 258.409 2.779 20 0 CFADRP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000903566084 621396875 /nfs/dbraw/zinc/39/68/75/621396875.db2.gz ZLVMQIFHVMIYIC-ZFWWWQNUSA-N 2 0 272.392 2.632 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000903569681 621397730 /nfs/dbraw/zinc/39/77/30/621397730.db2.gz HPUOGCWFFLGVQS-UHFFFAOYSA-N 2 0 250.361 2.790 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000903575980 621398105 /nfs/dbraw/zinc/39/81/05/621398105.db2.gz XKOYXTRHMHTCCI-MRXNPFEDSA-N 2 0 275.440 2.929 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718194 621425503 /nfs/dbraw/zinc/42/55/03/621425503.db2.gz IETIGWDWGDCIAR-ZWKOTPCHSA-N 2 0 288.435 2.666 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903719398 621425531 /nfs/dbraw/zinc/42/55/31/621425531.db2.gz ZGKSSYDKOVYEPB-AWEZNQCLSA-N 2 0 280.387 2.526 20 0 CFADRP CC1CCC([N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)CC1 ZINC000903721511 621426232 /nfs/dbraw/zinc/42/62/32/621426232.db2.gz BMPFIESOTCCTEE-RLNQZENFSA-N 2 0 292.467 2.798 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCC[NH2+]C1 ZINC000903722267 621426284 /nfs/dbraw/zinc/42/62/84/621426284.db2.gz JWHUQYJLYNZLFX-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP CC(C)CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903722119 621426304 /nfs/dbraw/zinc/42/63/04/621426304.db2.gz HGAVFKDWDYPZGH-MRXNPFEDSA-N 2 0 280.456 2.656 20 0 CFADRP CCC1CCC([N@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723265 621426747 /nfs/dbraw/zinc/42/67/47/621426747.db2.gz GUFWLQFAHAKVJA-GQGLESIBSA-N 2 0 280.456 2.656 20 0 CFADRP CCC1CCC([N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723264 621426915 /nfs/dbraw/zinc/42/69/15/621426915.db2.gz GUFWLQFAHAKVJA-BHUNQDJPSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)C(C)C ZINC000903726942 621428078 /nfs/dbraw/zinc/42/80/78/621428078.db2.gz PERJUEZKKUAZLO-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](c1cccs1)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725472 621428105 /nfs/dbraw/zinc/42/81/05/621428105.db2.gz ZZBMWYYGYLSZCQ-VNHYZAJKSA-N 2 0 280.437 2.510 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC2(CCCCC2)CC1 ZINC000903727566 621428150 /nfs/dbraw/zinc/42/81/50/621428150.db2.gz VGFSGQAPVKCMOQ-FUHWJXTLSA-N 2 0 292.467 2.801 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903728370 621428912 /nfs/dbraw/zinc/42/89/12/621428912.db2.gz AAMHKPYVXJXTHG-HOTGVXAUSA-N 2 0 290.451 2.948 20 0 CFADRP CC(C)[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729009 621428953 /nfs/dbraw/zinc/42/89/53/621428953.db2.gz JECPQENEWAAALI-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903729954 621429322 /nfs/dbraw/zinc/42/93/22/621429322.db2.gz TUVGGMLMRGBMPV-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903730406 621429481 /nfs/dbraw/zinc/42/94/81/621429481.db2.gz WCZPIXVJRXVEPB-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCC(C)(C)CC1 ZINC000903731914 621429542 /nfs/dbraw/zinc/42/95/42/621429542.db2.gz DGJKBTYPQHOCFJ-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC(C2CCCC2)CC1 ZINC000903732912 621430356 /nfs/dbraw/zinc/43/03/56/621430356.db2.gz HQOVMVDISPCWGB-MSOLQXFVSA-N 2 0 292.467 2.657 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903746639 621432174 /nfs/dbraw/zinc/43/21/74/621432174.db2.gz JBIPLHNEVRUYLE-CYBMUJFWSA-N 2 0 250.361 2.717 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903749200 621432609 /nfs/dbraw/zinc/43/26/09/621432609.db2.gz IBYURBLEVCHQJI-SJORKVTESA-N 2 0 287.451 2.910 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000903748864 621432629 /nfs/dbraw/zinc/43/26/29/621432629.db2.gz BYVHMQOSWJNRRL-RDJZCZTQSA-N 2 0 258.409 2.994 20 0 CFADRP FCc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903750095 621432665 /nfs/dbraw/zinc/43/26/65/621432665.db2.gz UQPKHDCDCIMBNT-NVXWUHKLSA-N 2 0 276.399 2.978 20 0 CFADRP CC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734300 621433673 /nfs/dbraw/zinc/43/36/73/621433673.db2.gz PXSRVRFRNCKKAB-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734644 621433720 /nfs/dbraw/zinc/43/37/20/621433720.db2.gz UICDEOHPTKVAQT-VVLHAWIVSA-N 2 0 280.456 2.656 20 0 CFADRP C(C1CCCCC1)[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903733830 621433838 /nfs/dbraw/zinc/43/38/38/621433838.db2.gz RGLXVPBSQBANOE-GOSISDBHSA-N 2 0 293.499 2.574 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000903733741 621433962 /nfs/dbraw/zinc/43/39/62/621433962.db2.gz MUZQGWNLGCVMQL-TWMKSMIVSA-N 2 0 294.483 2.902 20 0 CFADRP c1ccc(N2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903735778 621434394 /nfs/dbraw/zinc/43/43/94/621434394.db2.gz DKRHHSVTZFAFHH-QGZVFWFLSA-N 2 0 287.451 2.588 20 0 CFADRP c1ccc(N2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903735776 621434586 /nfs/dbraw/zinc/43/45/86/621434586.db2.gz DKRHHSVTZFAFHH-KRWDZBQOSA-N 2 0 287.451 2.588 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903766730 621437106 /nfs/dbraw/zinc/43/71/06/621437106.db2.gz RKBRFEXXMVVDNG-WMZOPIPTSA-N 2 0 287.451 2.587 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000903764979 621437268 /nfs/dbraw/zinc/43/72/68/621437268.db2.gz CVEAHQCRPBTOGY-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP CN(c1ccccc1)[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903766726 621437522 /nfs/dbraw/zinc/43/75/22/621437522.db2.gz RKBRFEXXMVVDNG-AEFFLSMTSA-N 2 0 287.451 2.587 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCCC2)[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903768640 621437982 /nfs/dbraw/zinc/43/79/82/621437982.db2.gz NZPMCGJCSAGASO-IXDOHACOSA-N 2 0 292.467 2.848 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903756916 621438728 /nfs/dbraw/zinc/43/87/28/621438728.db2.gz XDMDGFBSQMZXBE-LSDHHAIUSA-N 2 0 276.428 2.553 20 0 CFADRP CC(C)(C)n1cc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cn1 ZINC000903790910 621438926 /nfs/dbraw/zinc/43/89/26/621438926.db2.gz GUMDBMRRZWTOIK-UHFFFAOYSA-N 2 0 292.471 2.835 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903790825 621438948 /nfs/dbraw/zinc/43/89/48/621438948.db2.gz CBSSPBOSAYYXFT-ZXFUBFMLSA-N 3 0 293.499 2.604 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000903791468 621439131 /nfs/dbraw/zinc/43/91/31/621439131.db2.gz YMFLQMUAHYIVLY-HNNXBMFYSA-N 2 0 280.456 2.643 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](C/C=C\Cl)CC1 ZINC000903792719 621439179 /nfs/dbraw/zinc/43/91/79/621439179.db2.gz HICVAGYTFOZBRS-WTKPLQERSA-N 2 0 264.800 2.731 20 0 CFADRP CO[C@@H](C[NH+]1CCC(C(C)(C)C[NH3+])CC1)C1CCCC1 ZINC000903790797 621439221 /nfs/dbraw/zinc/43/92/21/621439221.db2.gz BCTAPSKHUMVEOV-INIZCTEOSA-N 2 0 282.472 2.889 20 0 CFADRP COCCCCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790767 621439260 /nfs/dbraw/zinc/43/92/60/621439260.db2.gz ZQWHLFZJGWWJFQ-UHFFFAOYSA-N 2 0 256.434 2.500 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@H]1CCCC[NH2+]C1 ZINC000903778507 621440050 /nfs/dbraw/zinc/44/00/50/621440050.db2.gz NRPMEXGNMUBXLQ-XJKSGUPXSA-N 2 0 273.424 2.675 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903784755 621441936 /nfs/dbraw/zinc/44/19/36/621441936.db2.gz RNJRRFLUQVRNDL-CJNGLKHVSA-N 2 0 273.424 2.911 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2CF)CC[C@@H]1C[NH3+] ZINC000903789619 621442406 /nfs/dbraw/zinc/44/24/06/621442406.db2.gz YNBSOCQIRNHYCC-GXTWGEPZSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H]2CC3(CCC3)CO2)CCC1 ZINC000903810765 621446656 /nfs/dbraw/zinc/44/66/56/621446656.db2.gz HNRSKOJMZGXSJA-CVEARBPZSA-N 2 0 292.467 2.929 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)cn1 ZINC000903810963 621446937 /nfs/dbraw/zinc/44/69/37/621446937.db2.gz IKZKKLIZLQJFTM-MRXNPFEDSA-N 2 0 273.424 2.874 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903826483 621450418 /nfs/dbraw/zinc/45/04/18/621450418.db2.gz KHPIOKNAGJMJDM-DZGCQCFKSA-N 2 0 268.470 2.594 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[C@@H](c3ccccc3)O1)C2 ZINC000903841602 621453290 /nfs/dbraw/zinc/45/32/90/621453290.db2.gz YLCNWNKYHQSRPC-JWYNJWGYSA-N 2 0 286.419 2.718 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOc1cccc(Cl)c1)C2 ZINC000903844706 621455002 /nfs/dbraw/zinc/45/50/02/621455002.db2.gz BICLLHHJFGWFRV-CFVMTHIKSA-N 2 0 294.826 2.921 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1cccc(Cl)c1)C2 ZINC000903849230 621455517 /nfs/dbraw/zinc/45/55/17/621455517.db2.gz BGUITGNQVWTIQH-UBHSHLNASA-N 2 0 280.799 2.530 20 0 CFADRP CCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H]1CCCCO1 ZINC000903892329 621464008 /nfs/dbraw/zinc/46/40/08/621464008.db2.gz QSJDRVTVAGHAJC-NPYXIHBLSA-N 2 0 280.456 2.798 20 0 CFADRP Fc1cccc2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC000903914824 621465422 /nfs/dbraw/zinc/46/54/22/621465422.db2.gz KYNBBVXHKIJKOR-AGUYFDCRSA-N 2 0 290.382 2.551 20 0 CFADRP C[C@H](C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccs1 ZINC000903902416 621468223 /nfs/dbraw/zinc/46/82/23/621468223.db2.gz GBLMHTAVJNXUNX-RLAWYHOSSA-N 2 0 279.453 2.709 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000903939155 621472892 /nfs/dbraw/zinc/47/28/92/621472892.db2.gz RUWHHJNRKAYCKJ-UHFFFAOYSA-N 2 0 290.329 2.845 20 0 CFADRP CC(C)Oc1ccc(CNC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903922879 621473434 /nfs/dbraw/zinc/47/34/34/621473434.db2.gz GLOYCNNCIAUJRO-LBPRGKRZSA-N 2 0 272.339 2.546 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921859 621473655 /nfs/dbraw/zinc/47/36/55/621473655.db2.gz RPZFPUSJJZNIQV-AVOUXACISA-N 2 0 274.408 2.876 20 0 CFADRP c1ccc(CC[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903923087 621474155 /nfs/dbraw/zinc/47/41/55/621474155.db2.gz KWWVEIOYKQEJTR-UHFFFAOYSA-N 2 0 266.388 2.665 20 0 CFADRP Cc1ccc(C[NH2+]CCC(C)(C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000903939315 621475768 /nfs/dbraw/zinc/47/57/68/621475768.db2.gz FWXFKPYXMMVDHH-UHFFFAOYSA-N 2 0 286.423 2.613 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC(C)(C)[NH3+])CC1 ZINC000903939400 621475868 /nfs/dbraw/zinc/47/58/68/621475868.db2.gz GMOUHSDTLWBSFW-ZBFHGGJFSA-N 2 0 281.488 2.747 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903932659 621476647 /nfs/dbraw/zinc/47/66/47/621476647.db2.gz UYOIEUCFBYDHFV-JALIKCBVSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)([NH3+])CC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000903938819 621478137 /nfs/dbraw/zinc/47/81/37/621478137.db2.gz LTVVPYJKCXYWJX-ARJAWSKDSA-N 2 0 254.324 2.695 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957357 621479093 /nfs/dbraw/zinc/47/90/93/621479093.db2.gz PZTXARFXUKPDAV-YPMHNXCESA-N 2 0 288.407 2.904 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000903959444 621479796 /nfs/dbraw/zinc/47/97/96/621479796.db2.gz ICYUAXSWFCGLQX-HWWQOWPSSA-N 2 0 262.372 2.933 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000903959161 621479897 /nfs/dbraw/zinc/47/98/97/621479897.db2.gz BXRWGVAWGQKMIK-SFHVURJKSA-N 2 0 287.451 2.788 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000903959940 621480364 /nfs/dbraw/zinc/48/03/64/621480364.db2.gz SJCOQNDVTYSURS-MKBNYLNASA-N 2 0 262.372 2.791 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1 ZINC000903939583 621481425 /nfs/dbraw/zinc/48/14/25/621481425.db2.gz JTXCFDLFGJHUOE-AWEZNQCLSA-N 2 0 291.439 2.738 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000903940980 621482407 /nfs/dbraw/zinc/48/24/07/621482407.db2.gz KOJYJBWTZBLYQY-UHFFFAOYSA-N 2 0 276.302 2.802 20 0 CFADRP CCCOc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000903940882 621482698 /nfs/dbraw/zinc/48/26/98/621482698.db2.gz HVJOLPOKYGTBIX-UHFFFAOYSA-N 2 0 280.412 2.701 20 0 CFADRP C[C@]1(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CC[NH2+]C1 ZINC000903947825 621485507 /nfs/dbraw/zinc/48/55/07/621485507.db2.gz IQHXTLPCZTXFEV-SJORKVTESA-N 2 0 280.456 2.515 20 0 CFADRP CN(CCCC[NH+]1CCCCC1)CC[NH2+]C(C)(C)C ZINC000903948002 621485662 /nfs/dbraw/zinc/48/56/62/621485662.db2.gz KLUMSDLXWXZDHW-UHFFFAOYSA-N 2 0 269.477 2.572 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903955924 621490156 /nfs/dbraw/zinc/49/01/56/621490156.db2.gz CEBNRNKNPZXCII-JHJVBQTASA-N 2 0 260.372 2.647 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000903956410 621491024 /nfs/dbraw/zinc/49/10/24/621491024.db2.gz LBKXZPQNPGIJNJ-YPMHNXCESA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(Br)cc1 ZINC000903974291 621492294 /nfs/dbraw/zinc/49/22/94/621492294.db2.gz NZTQBLJRZVOUMF-DGCLKSJQSA-N 2 0 297.240 2.784 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000903974752 621492773 /nfs/dbraw/zinc/49/27/73/621492773.db2.gz RLMURQZCMUSRMH-BTBCPRSTSA-N 2 0 280.362 2.813 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000903974753 621492992 /nfs/dbraw/zinc/49/29/92/621492992.db2.gz RLMURQZCMUSRMH-SDEBIZQBSA-N 2 0 280.362 2.813 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977495 621493603 /nfs/dbraw/zinc/49/36/03/621493603.db2.gz QNEKBWOYGKFHAX-GDBMZVCRSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cscc2Cl)C[C@H]1CC[NH3+] ZINC000903977110 621493615 /nfs/dbraw/zinc/49/36/15/621493615.db2.gz JKVCFGBPYBKKLI-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968182 621496841 /nfs/dbraw/zinc/49/68/41/621496841.db2.gz RJSGWDNAUZVXCV-VWYCJHECSA-N 2 0 252.324 2.553 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968502 621497070 /nfs/dbraw/zinc/49/70/70/621497070.db2.gz WXVYCASMVAYHLM-NFAWXSAZSA-N 2 0 264.388 2.592 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCCCCOc1ccccc1 ZINC000903968412 621497097 /nfs/dbraw/zinc/49/70/97/621497097.db2.gz VLGUYEOBWOYWMI-HZPDHXFCSA-N 2 0 276.424 2.681 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986069 621498464 /nfs/dbraw/zinc/49/84/64/621498464.db2.gz FKZZOUUGUWRTRO-GTPINHCMSA-N 3 0 281.488 2.747 20 0 CFADRP Cc1ccc(CN2C[C@H]([NH3+])C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000903986960 621498970 /nfs/dbraw/zinc/49/89/70/621498970.db2.gz VECWGWVHWUQAHR-KRWDZBQOSA-N 2 0 298.434 2.565 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000904299721 621567877 /nfs/dbraw/zinc/56/78/77/621567877.db2.gz MQJPAQZGILVZQD-CVEARBPZSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000904299722 621568087 /nfs/dbraw/zinc/56/80/87/621568087.db2.gz MQJPAQZGILVZQD-HOTGVXAUSA-N 2 0 281.488 2.604 20 0 CFADRP CCCN(C[C@H]([NH3+])CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000904299650 621568289 /nfs/dbraw/zinc/56/82/89/621568289.db2.gz KSAAGIHYSNBCIS-CQSZACIVSA-N 2 0 269.477 2.604 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCO3)CC[C@@H]1[NH3+] ZINC000904301055 621568765 /nfs/dbraw/zinc/56/87/65/621568765.db2.gz FKGIKIXQXXSIGW-ZBFHGGJFSA-N 2 0 274.408 2.571 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904301226 621568788 /nfs/dbraw/zinc/56/87/88/621568788.db2.gz BGXFDGXZTNJRNH-QGZVFWFLSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccccn2)CCC[NH2+]C1 ZINC000904308768 621570195 /nfs/dbraw/zinc/57/01/95/621570195.db2.gz WNVHNRJFAIUMDA-HZPDHXFCSA-N 2 0 259.397 2.608 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc1C ZINC000904317440 621572256 /nfs/dbraw/zinc/57/22/56/621572256.db2.gz WABZVJRKKZSUAK-QGZVFWFLSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000904317524 621572324 /nfs/dbraw/zinc/57/23/24/621572324.db2.gz ZZNXPOUEAMWHMH-HOTGVXAUSA-N 2 0 281.488 2.700 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904316683 621572368 /nfs/dbraw/zinc/57/23/68/621572368.db2.gz PUZXQGSSUDMCNQ-AEFFLSMTSA-N 2 0 288.435 2.874 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000904316567 621572475 /nfs/dbraw/zinc/57/24/75/621572475.db2.gz PWGYYCNIPBXHKX-OIISXLGYSA-N 2 0 258.409 2.993 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000904320259 621573494 /nfs/dbraw/zinc/57/34/94/621573494.db2.gz FTJDHOIRJBVPHP-DAWZGUTISA-N 2 0 293.499 2.572 20 0 CFADRP CC1CCC([NH+]2CCN(C[C@@]3(C)CCC[NH2+]C3)CC2)CC1 ZINC000904320258 621573608 /nfs/dbraw/zinc/57/36/08/621573608.db2.gz FTJDHOIRJBVPHP-ABHNRTSZSA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904325263 621575481 /nfs/dbraw/zinc/57/54/81/621575481.db2.gz UPVYPTLYASHAOY-BBWFWOEESA-N 2 0 260.425 2.985 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904326596 621576449 /nfs/dbraw/zinc/57/64/49/621576449.db2.gz NGQRVSWBHXLDPT-RYQLBKOJSA-N 3 0 293.499 2.700 20 0 CFADRP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328827 621576919 /nfs/dbraw/zinc/57/69/19/621576919.db2.gz STWZUEKDUCIJBJ-JBLDHEPKSA-N 2 0 266.335 2.621 20 0 CFADRP Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904343289 621578898 /nfs/dbraw/zinc/57/88/98/621578898.db2.gz SEVLZQRKHWHJCR-GASCZTMLSA-N 2 0 298.434 2.719 20 0 CFADRP COc1ccc2c(c1)C[C@@H](C)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H]2C ZINC000904345670 621579748 /nfs/dbraw/zinc/57/97/48/621579748.db2.gz ILHBYJPFJGOMBF-COMQUAJESA-N 2 0 274.408 2.740 20 0 CFADRP C[C@@H]([NH3+])c1ccc(CNC[C@@H]([NH3+])CCC(C)(C)C)cc1 ZINC000904349581 621580467 /nfs/dbraw/zinc/58/04/67/621580467.db2.gz AVPSGYKTEYNUDL-CJNGLKHVSA-N 2 0 277.456 2.950 20 0 CFADRP c1cc2c(cc1CN1CCC[C@@]3(CC[NH2+]C3)C1)CCCO2 ZINC000904351453 621580947 /nfs/dbraw/zinc/58/09/47/621580947.db2.gz ZARPFPAVJDRTRS-SFHVURJKSA-N 2 0 286.419 2.587 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904355218 621581636 /nfs/dbraw/zinc/58/16/36/621581636.db2.gz OJLWIVPBPZAHLL-SECBINFHSA-N 2 0 260.303 2.980 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1Br ZINC000904355240 621581681 /nfs/dbraw/zinc/58/16/81/621581681.db2.gz OPNNKEXJLZTJLQ-DGCLKSJQSA-N 2 0 297.240 2.975 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904360266 621583024 /nfs/dbraw/zinc/58/30/24/621583024.db2.gz YOLLORQBCZMPOV-RISCZKNCSA-N 2 0 281.444 2.966 20 0 CFADRP C[C@]1(C[NH2+]CCc2cc3ccccc3o2)CCC[NH2+]C1 ZINC000904360498 621583126 /nfs/dbraw/zinc/58/31/26/621583126.db2.gz LVMLPVOGPIOUJI-KRWDZBQOSA-N 2 0 272.392 2.955 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000904371115 621584244 /nfs/dbraw/zinc/58/42/44/621584244.db2.gz JRPCEDIVHAHRBH-XLNGHYISSA-N 2 0 258.409 2.992 20 0 CFADRP CC1(C)CCC[C@H]1[C@H]1CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904374958 621584619 /nfs/dbraw/zinc/58/46/19/621584619.db2.gz ZBLJZYKHMXHNCM-XQLPTFJDSA-N 2 0 250.430 2.872 20 0 CFADRP [NH3+][C@H]1C[C@@H](CN2CCO[C@@H](c3c(F)cccc3Cl)C2)C1 ZINC000904373085 621584813 /nfs/dbraw/zinc/58/48/13/621584813.db2.gz AQJXGCOBRYULQL-UHIISALHSA-N 2 0 298.789 2.590 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC000904374895 621584996 /nfs/dbraw/zinc/58/49/96/621584996.db2.gz XMFFHEFIIJOLDG-WMZOPIPTSA-N 2 0 286.419 2.572 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904363165 621585454 /nfs/dbraw/zinc/58/54/54/621585454.db2.gz WQIMKCKKDLLQGL-KRWDZBQOSA-N 2 0 276.424 2.743 20 0 CFADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C/C=C\c1ccccc1)CC2 ZINC000904392297 621586431 /nfs/dbraw/zinc/58/64/31/621586431.db2.gz OZLPGIQOTGLTJB-DANOYGIBSA-N 2 0 286.419 2.530 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000904376735 621586954 /nfs/dbraw/zinc/58/69/54/621586954.db2.gz DEMRYKOEOFSDRP-GDBMZVCRSA-N 2 0 275.440 2.999 20 0 CFADRP CCc1csc(CC2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)n1 ZINC000904376702 621587292 /nfs/dbraw/zinc/58/72/92/621587292.db2.gz XRIXODKXNYQNNN-OKILXGFUSA-N 2 0 293.480 2.697 20 0 CFADRP [NH3+]CC1CC([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000904379703 621587646 /nfs/dbraw/zinc/58/76/46/621587646.db2.gz CHQVOQVGMXNTKD-ASYNLNLVSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904388102 621589650 /nfs/dbraw/zinc/58/96/50/621589650.db2.gz CJQYVFPYTZPUSH-ZBFHGGJFSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)CCC[NH2+]C1 ZINC000904388101 621589781 /nfs/dbraw/zinc/58/97/81/621589781.db2.gz CJQYVFPYTZPUSH-HOCLYGCPSA-N 2 0 293.480 2.787 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000904405055 621590125 /nfs/dbraw/zinc/59/01/25/621590125.db2.gz HZEJGGHVNCVFDF-YYRQZUAOSA-N 2 0 266.335 2.649 20 0 CFADRP CC(C)(C)c1cnc(C[N@@H+]2CC[C@H](CC[NH3+])C2)s1 ZINC000904405025 621590168 /nfs/dbraw/zinc/59/01/68/621590168.db2.gz HFHIUTQCVCTCMN-NSHDSACASA-N 2 0 267.442 2.611 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405494 621590325 /nfs/dbraw/zinc/59/03/25/621590325.db2.gz LZSICASSKXKHQQ-GFCCVEGCSA-N 2 0 250.361 2.559 20 0 CFADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904410536 621591670 /nfs/dbraw/zinc/59/16/70/621591670.db2.gz HGHNVWBKTSPZEL-HIFRSBDPSA-N 2 0 299.418 2.660 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904410617 621591821 /nfs/dbraw/zinc/59/18/21/621591821.db2.gz DXFOJKYGEUXFDK-UKRRQHHQSA-N 2 0 262.397 2.502 20 0 CFADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904410535 621591842 /nfs/dbraw/zinc/59/18/42/621591842.db2.gz HGHNVWBKTSPZEL-DZGCQCFKSA-N 2 0 299.418 2.660 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc2cccnc12 ZINC000904411941 621592761 /nfs/dbraw/zinc/59/27/61/621592761.db2.gz QQBGUZSGCDYEBR-PBHICJAKSA-N 2 0 283.419 2.960 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)ccc2n1 ZINC000904411322 621592832 /nfs/dbraw/zinc/59/28/32/621592832.db2.gz UQQPWQNSBVWWKT-DYVFJYSZSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)CC[C@@H]1C[NH3+] ZINC000904412129 621593408 /nfs/dbraw/zinc/59/34/08/621593408.db2.gz QKMNBMDLESGPRY-GXSJLCMTSA-N 2 0 272.314 2.521 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000904412646 621593471 /nfs/dbraw/zinc/59/34/71/621593471.db2.gz VQNOEVHXHQCJGB-QWHCGFSZSA-N 2 0 250.361 2.551 20 0 CFADRP C([C@@H]1CCCOC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416453 621593986 /nfs/dbraw/zinc/59/39/86/621593986.db2.gz MZGVZHZEKURUIH-HOTGVXAUSA-N 2 0 280.456 2.515 20 0 CFADRP COC(=O)CCC1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CCCCC1 ZINC000904433098 621595241 /nfs/dbraw/zinc/59/52/41/621595241.db2.gz KGVVEYGDXJKOTO-CABCVRRESA-N 2 0 296.455 2.620 20 0 CFADRP c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C2CC2)c1 ZINC000904419534 621596582 /nfs/dbraw/zinc/59/65/82/621596582.db2.gz WEQKXHALLQFUTF-DLBZAZTESA-N 2 0 256.393 2.605 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCC[NH3+])cc2ccccc21 ZINC000904474480 621601674 /nfs/dbraw/zinc/60/16/74/621601674.db2.gz UUEIHJUIJSATTD-LBPRGKRZSA-N 2 0 258.365 2.848 20 0 CFADRP CC(C)([NH3+])c1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000904476896 621601699 /nfs/dbraw/zinc/60/16/99/621601699.db2.gz SOWYEWRFCQJJSZ-WOSRLPQWSA-N 2 0 273.424 2.680 20 0 CFADRP Nc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)c(F)c1 ZINC000904759075 621631546 /nfs/dbraw/zinc/63/15/46/621631546.db2.gz RHZIJGFXCKDYEA-UHFFFAOYSA-N 2 0 299.393 2.998 20 0 CFADRP CC(C)(CN1CCCC1)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000832756300 625507437 /nfs/dbraw/zinc/50/74/37/625507437.db2.gz MAHLKZHTMCJBLT-JTQLQIEISA-N 2 0 265.228 2.644 20 0 CFADRP NC1(c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)CC1 ZINC000905320162 621741044 /nfs/dbraw/zinc/74/10/44/621741044.db2.gz WXCDBLNXOQOHAR-UHFFFAOYSA-N 2 0 298.390 2.670 20 0 CFADRP [NH3+]Cc1ccc(-c2noc([C@@H]3CCCCC[C@@H]3[NH3+])n2)cc1 ZINC000905306679 621747230 /nfs/dbraw/zinc/74/72/30/621747230.db2.gz FCSOHSTYWRUEKM-KGLIPLIRSA-N 2 0 286.379 2.570 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCON=C(N)Cc1cccs1 ZINC000906498497 621993396 /nfs/dbraw/zinc/99/33/96/621993396.db2.gz CCEWRVYYAJVPTK-GFCCVEGCSA-N 2 0 281.425 2.663 20 0 CFADRP Cc1cc(C[NH2+]C2CC([NH3+])C2)ccc1Oc1cccnc1 ZINC000906509238 621995277 /nfs/dbraw/zinc/99/52/77/621995277.db2.gz BTURKBJNWYNCHA-UHFFFAOYSA-N 2 0 283.375 2.762 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(SC(F)F)cc2)C1 ZINC000906516320 621995946 /nfs/dbraw/zinc/99/59/46/621995946.db2.gz CTUALPASYPTCKX-MGCOHNPYSA-N 2 0 258.337 2.581 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000911684467 622534922 /nfs/dbraw/zinc/53/49/22/622534922.db2.gz CNQHXYPKEWCYKX-INIZCTEOSA-N 2 0 289.423 2.607 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])C2CCCCCC2)cc1 ZINC000911845363 622563641 /nfs/dbraw/zinc/56/36/41/622563641.db2.gz IXUIIBPLXJXGTE-LRDDRELGSA-N 2 0 289.423 2.943 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924846667 622749832 /nfs/dbraw/zinc/74/98/32/622749832.db2.gz ONTQRQYKULMDEA-OOHWJJMZSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820828986 622769082 /nfs/dbraw/zinc/76/90/82/622769082.db2.gz DHYGXGPWQWIGFY-YQAQFAQXSA-N 2 0 292.467 2.531 20 0 CFADRP C[C@H]1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H](C)O1 ZINC000820829752 622769108 /nfs/dbraw/zinc/76/91/08/622769108.db2.gz MGIKBHSEEXXAAG-VTYAIWPXSA-N 2 0 278.440 2.690 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1 ZINC000821362698 622904984 /nfs/dbraw/zinc/90/49/84/622904984.db2.gz OHJUSOXBWSGCCG-SJORKVTESA-N 2 0 282.472 2.998 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000044515273 622918082 /nfs/dbraw/zinc/91/80/82/622918082.db2.gz YBUHAYWOYVOERY-UHFFFAOYSA-N 2 0 252.789 2.771 20 0 CFADRP C[N@H+](Cc1cncc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000165067925 622979132 /nfs/dbraw/zinc/97/91/32/622979132.db2.gz LHSFJNUAGZGZIV-SJPCQFCGSA-N 2 0 281.403 2.950 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000057993989 623024341 /nfs/dbraw/zinc/02/43/41/623024341.db2.gz TZLVLZFJBLTKAN-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2c(c1)CCCN2 ZINC000157595841 623042808 /nfs/dbraw/zinc/04/28/08/623042808.db2.gz OZJNLPDENABTJV-DLBZAZTESA-N 2 0 285.435 2.761 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000226344284 623068123 /nfs/dbraw/zinc/06/81/23/623068123.db2.gz KJJVLDBTEHOWGA-IXDOHACOSA-N 3 0 293.499 2.619 20 0 CFADRP CC(C)(C)c1nc(C[NH2+]C2CCC([NH3+])CC2)cs1 ZINC000229245789 623193716 /nfs/dbraw/zinc/19/37/16/623193716.db2.gz PXDVMZHCODSUQN-UHFFFAOYSA-N 2 0 267.442 2.800 20 0 CFADRP C[NH+](C)[C@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822966546 623210808 /nfs/dbraw/zinc/21/08/08/623210808.db2.gz IZYLZMJYKNKJON-NEPJUHHUSA-N 2 0 279.255 2.986 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCCSC2)CC1 ZINC000061572064 623220923 /nfs/dbraw/zinc/22/09/23/623220923.db2.gz UNDYGIMVMDERMX-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000823812496 623399826 /nfs/dbraw/zinc/39/98/26/623399826.db2.gz KRKNYOMJRZNULJ-UHFFFAOYSA-N 2 0 285.794 2.696 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1c(C)noc1C ZINC000788025866 623463903 /nfs/dbraw/zinc/46/39/03/623463903.db2.gz VOYUXHIQNVQQHE-AWEZNQCLSA-N 2 0 265.401 2.674 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000840745865 623482125 /nfs/dbraw/zinc/48/21/25/623482125.db2.gz PYOYJMPQPGPPEU-BQFCYCMXSA-N 2 0 290.451 2.678 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000824774606 623562131 /nfs/dbraw/zinc/56/21/31/623562131.db2.gz UDDDAZWDZGSMOE-LLVKDONJSA-N 2 0 265.228 2.644 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2cccnc2)C1 ZINC000929777919 623663676 /nfs/dbraw/zinc/66/36/76/623663676.db2.gz GCBKPOHGCNIYAP-KRWDZBQOSA-N 2 0 275.440 2.678 20 0 CFADRP C1CC1[C@@H]1C[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)CO1 ZINC000825325139 623672179 /nfs/dbraw/zinc/67/21/79/623672179.db2.gz BFCRAOHSQSLWCS-IKJBURDNSA-N 2 0 292.467 2.941 20 0 CFADRP C1CC1[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000914436467 623855494 /nfs/dbraw/zinc/85/54/94/623855494.db2.gz VTNLDDNDTCMJQR-ZWKOTPCHSA-N 2 0 292.467 2.798 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000929842415 623917421 /nfs/dbraw/zinc/91/74/21/623917421.db2.gz CUVMUKHFFLKCEB-SJORKVTESA-N 2 0 288.435 2.920 20 0 CFADRP CN(Cc1cccc2ccccc21)C[C@@H](O)C[NH+]1CCCC1 ZINC000917009399 624299622 /nfs/dbraw/zinc/29/96/22/624299622.db2.gz AVLXMSYYQAUTRT-GOSISDBHSA-N 2 0 298.430 2.728 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC3CCC(=O)CC3)C2)CC1 ZINC000829443727 624434456 /nfs/dbraw/zinc/43/44/56/624434456.db2.gz BWBFYOVDUKYSKS-UHFFFAOYSA-N 2 0 278.440 2.554 20 0 CFADRP COc1ccc(CCN[C@H]2CC[NH2+]C23CCCC3)cc1F ZINC000925475408 624655742 /nfs/dbraw/zinc/65/57/42/624655742.db2.gz CPPMSVOMQZMUHW-INIZCTEOSA-N 2 0 292.398 2.641 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCCNc2ccccn2)C1 ZINC000925475692 624657771 /nfs/dbraw/zinc/65/77/71/624657771.db2.gz GXXGVEAUQWXTDE-GJZGRUSLSA-N 3 0 290.455 2.769 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000925477627 624676668 /nfs/dbraw/zinc/67/66/68/624676668.db2.gz CJTSRLPJYWGILI-CRAIPNDOSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)o1 ZINC000237659054 624969699 /nfs/dbraw/zinc/96/96/99/624969699.db2.gz VHYTYRLOYHLUJP-GOEBONIOSA-N 2 0 292.423 2.605 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CCCCCC[NH3+])c1 ZINC000831466602 625031042 /nfs/dbraw/zinc/03/10/42/625031042.db2.gz ZXLZNASQPKIBMG-UHFFFAOYSA-N 2 0 291.439 2.904 20 0 CFADRP CC(C)C[C@H](C[NH3+])N[C@H](C)c1ccnc(Cl)c1 ZINC000817960369 625964799 /nfs/dbraw/zinc/96/47/99/625964799.db2.gz YIWKVTSWNXLFFO-ZYHUDNBSSA-N 2 0 255.793 2.759 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000921522200 625973110 /nfs/dbraw/zinc/97/31/10/625973110.db2.gz OISUGBQLZXRAIG-ZIAGYGMSSA-N 2 0 258.475 2.981 20 0 CFADRP C[C@@H]1Cc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2O1 ZINC000921550430 625984807 /nfs/dbraw/zinc/98/48/07/625984807.db2.gz PYUZXFTUTGGXTK-KBRIMQKVSA-N 2 0 286.419 2.726 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000921561356 625989305 /nfs/dbraw/zinc/98/93/05/625989305.db2.gz DDPDVKSSYHWZFG-ZJPYXAASSA-N 2 0 294.483 2.903 20 0 CFADRP C1C([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1[NH+]1CCCCC1 ZINC000922081541 626204882 /nfs/dbraw/zinc/20/48/82/626204882.db2.gz PKFCHJWZQONKMH-UZROPOIGSA-N 2 0 292.467 2.798 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000922138272 626215196 /nfs/dbraw/zinc/21/51/96/626215196.db2.gz IGDFRJSPLAKOQO-MGPQQGTHSA-N 2 0 258.475 2.979 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000922171662 626229958 /nfs/dbraw/zinc/22/99/58/626229958.db2.gz NMCMGSWJJIZFOF-UHFFFAOYSA-N 2 0 284.835 2.590 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000922181105 626232786 /nfs/dbraw/zinc/23/27/86/626232786.db2.gz MYIPLVUVGCIUSF-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000922181629 626233191 /nfs/dbraw/zinc/23/31/91/626233191.db2.gz WFWHBXIZDANFFU-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000922191950 626236719 /nfs/dbraw/zinc/23/67/19/626236719.db2.gz GYGWUQPNJRCXBF-UHFFFAOYSA-N 2 0 276.428 2.571 20 0 CFADRP C[NH+](C)C1CC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000922214752 626242196 /nfs/dbraw/zinc/24/21/96/626242196.db2.gz SMFLISWBNCQKFV-XNIRIUNOSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000922217292 626243405 /nfs/dbraw/zinc/24/34/05/626243405.db2.gz OQWISWSRLAIBMN-YESZJQIVSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1cnn(C)c1C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000922501917 626299191 /nfs/dbraw/zinc/29/91/91/626299191.db2.gz CNRGKHHUAGHIKA-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP CCO[C@H](CNCc1cc2c(cccc2C)[nH]1)C[NH+](C)C ZINC000922756615 626359023 /nfs/dbraw/zinc/35/90/23/626359023.db2.gz QQDFAIQKDJMBCE-OAHLLOKOSA-N 2 0 289.423 2.533 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000922847648 626379861 /nfs/dbraw/zinc/37/98/61/626379861.db2.gz CGIATGHFGLELFA-UHFFFAOYSA-N 2 0 274.408 2.889 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000922847216 626379888 /nfs/dbraw/zinc/37/98/88/626379888.db2.gz XARUWWYAIOWWGS-UHFFFAOYSA-N 2 0 288.435 2.676 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000922845353 626380454 /nfs/dbraw/zinc/38/04/54/626380454.db2.gz OQVZJZSGUSZQSM-SAGYGOJTSA-N 3 0 291.483 2.610 20 0 CFADRP COc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)c(F)c1 ZINC000228591977 626393980 /nfs/dbraw/zinc/39/39/80/626393980.db2.gz DVNZWYVKWAEADX-UHFFFAOYSA-N 2 0 266.360 2.536 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2([C@@H]3CCCCO3)CC2)CC1(C)C ZINC000923027981 626443115 /nfs/dbraw/zinc/44/31/15/626443115.db2.gz LZXUYNNJHFLNTC-KBPBESRZSA-N 2 0 266.429 2.551 20 0 CFADRP CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)c1ccc(F)cc1 ZINC000923307416 626464113 /nfs/dbraw/zinc/46/41/13/626464113.db2.gz VYEHOXMNVWBEBT-CZUORRHYSA-N 2 0 292.398 2.587 20 0 CFADRP CCCC[N@H+](CCOC)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923313461 626465002 /nfs/dbraw/zinc/46/50/02/626465002.db2.gz RTLAVZBJTZMSEV-MQVJKMGUSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[N@H+](CCC[NH2+]C1CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000923313654 626465076 /nfs/dbraw/zinc/46/50/76/626465076.db2.gz IWRODRCTODDYPH-XHSDSOJGSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)C[C@H]1CCCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315897 626465099 /nfs/dbraw/zinc/46/50/99/626465099.db2.gz MDWVKQPXVVMRCY-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315899 626465179 /nfs/dbraw/zinc/46/51/79/626465179.db2.gz MDWVKQPXVVMRCY-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923309718 626466010 /nfs/dbraw/zinc/46/60/10/626466010.db2.gz NUELGSAZNOSSKL-SJLPKXTDSA-N 2 0 298.430 2.517 20 0 CFADRP C[C@@H]1C[N@H+](Cc2sccc2Cl)CC[C@@H]1C[NH3+] ZINC000923494919 626477004 /nfs/dbraw/zinc/47/70/04/626477004.db2.gz QNHYXDGVYMKQQO-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP CCc1onc(C)c1CN(CCC[NH3+])Cc1ccccc1 ZINC000923348673 626467826 /nfs/dbraw/zinc/46/78/26/626467826.db2.gz JOWGMFKODVECGV-UHFFFAOYSA-N 2 0 287.407 2.896 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(-n2cccn2)c1 ZINC000923376908 626469206 /nfs/dbraw/zinc/46/92/06/626469206.db2.gz GJEXPBQMTSQFQH-AWEZNQCLSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1coc(C(C)(C)C)n1)CC[NH2+]CC2 ZINC000923383920 626469826 /nfs/dbraw/zinc/46/98/26/626469826.db2.gz OKCSXOFDKKVNMZ-ZDUSSCGKSA-N 2 0 291.439 2.936 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])o1 ZINC000923391047 626469949 /nfs/dbraw/zinc/46/99/49/626469949.db2.gz VJTMSNMLENKTSU-TZMCWYRMSA-N 2 0 265.401 2.576 20 0 CFADRP CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923384990 626470115 /nfs/dbraw/zinc/47/01/15/626470115.db2.gz RPZDAMAWGXEYJV-HRCADAONSA-N 2 0 292.467 2.513 20 0 CFADRP FC1(F)C[C@@]12CC[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000923393047 626470497 /nfs/dbraw/zinc/47/04/97/626470497.db2.gz MSIRLJZYXCQHRQ-WTUNAVPPSA-N 2 0 270.367 2.638 20 0 CFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923389464 626470549 /nfs/dbraw/zinc/47/05/49/626470549.db2.gz RDMBMVOUBWWSBU-ROUUACIJSA-N 2 0 294.483 2.639 20 0 CFADRP C(C[NH2+]C1CC1)C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000923427320 626472036 /nfs/dbraw/zinc/47/20/36/626472036.db2.gz RAWBPFPUTQRVIS-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923456418 626473737 /nfs/dbraw/zinc/47/37/37/626473737.db2.gz PFGRWERNTBPTRZ-ZBFHGGJFSA-N 2 0 274.408 2.577 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000923486689 626475536 /nfs/dbraw/zinc/47/55/36/626475536.db2.gz SUCLXFWVUHBSKS-LBPRGKRZSA-N 2 0 289.354 2.651 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923487666 626475854 /nfs/dbraw/zinc/47/58/54/626475854.db2.gz BEUAZJYBFHLRIF-CMPLNLGQSA-N 2 0 270.779 2.896 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000923480065 626475982 /nfs/dbraw/zinc/47/59/82/626475982.db2.gz UYMQEIBMTHMDIK-HYVNUMGLSA-N 2 0 274.408 2.577 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC000923487679 626475994 /nfs/dbraw/zinc/47/59/94/626475994.db2.gz BEUAZJYBFHLRIF-ZYHUDNBSSA-N 2 0 270.779 2.896 20 0 CFADRP Cc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)o1 ZINC000923484404 626476309 /nfs/dbraw/zinc/47/63/09/626476309.db2.gz YWTRDDFTZVCTFP-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1F ZINC000923490420 626476423 /nfs/dbraw/zinc/47/64/23/626476423.db2.gz CIBRCAIVIIFMGG-NEPJUHHUSA-N 2 0 268.351 2.690 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncccc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923489432 626476438 /nfs/dbraw/zinc/47/64/38/626476438.db2.gz JXYMONVJHMHCLE-MNOVXSKESA-N 2 0 287.329 2.517 20 0 CFADRP C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1C[NH3+] ZINC000923494484 626476858 /nfs/dbraw/zinc/47/68/58/626476858.db2.gz NHTPXTGUMUCSJC-QWRGUYRKSA-N 2 0 252.324 2.636 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923502545 626476928 /nfs/dbraw/zinc/47/69/28/626476928.db2.gz ZWOVWYFVKZVIDB-GOEBONIOSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923494486 626477031 /nfs/dbraw/zinc/47/70/31/626477031.db2.gz NHTPXTGUMUCSJC-WDEREUQCSA-N 2 0 252.324 2.636 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CC[C@H]1C[NH3+] ZINC000923497093 626477058 /nfs/dbraw/zinc/47/70/58/626477058.db2.gz DQSWUSVNLYKEAL-KMFMINBZSA-N 2 0 258.409 2.981 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1SC ZINC000923498893 626477223 /nfs/dbraw/zinc/47/72/23/626477223.db2.gz QPXIJKBIGUPWJF-OCCSQVGLSA-N 2 0 294.464 2.834 20 0 CFADRP C[C@H]1C[N@H+](CCCOCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000923499017 626477242 /nfs/dbraw/zinc/47/72/42/626477242.db2.gz QAPUXBDZQROIKE-DOTOQJQBSA-N 2 0 276.424 2.510 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923497088 626477258 /nfs/dbraw/zinc/47/72/58/626477258.db2.gz DQSWUSVNLYKEAL-FRFSOERESA-N 2 0 258.409 2.981 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500772 626477280 /nfs/dbraw/zinc/47/72/80/626477280.db2.gz YASTZZGCQVTKHF-HUUCEWRRSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@@H]1C[NH3+] ZINC000923499834 626477282 /nfs/dbraw/zinc/47/72/82/626477282.db2.gz MGQMGFJRNNXXJC-DZGCQCFKSA-N 2 0 264.388 2.675 20 0 CFADRP C[C@@H]1C[N@H+](Cc2csc(-c3ccoc3)n2)CC[C@@H]1C[NH3+] ZINC000923499697 626477305 /nfs/dbraw/zinc/47/73/05/626477305.db2.gz LJKYPGCWGKUBLX-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499379 626477483 /nfs/dbraw/zinc/47/74/83/626477483.db2.gz SFBKHXHCSILFNP-MBNYWOFBSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC000923504690 626477622 /nfs/dbraw/zinc/47/76/22/626477622.db2.gz SYOAOYJSJWMRFF-OLZOCXBDSA-N 2 0 282.815 2.636 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923511131 626478142 /nfs/dbraw/zinc/47/81/42/626478142.db2.gz ZNCNVMAUWRCZOO-NWDGAFQWSA-N 2 0 252.789 2.757 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000923515331 626478159 /nfs/dbraw/zinc/47/81/59/626478159.db2.gz QQBJSUIFBDCLNE-DDBAPUKQSA-N 2 0 288.435 2.823 20 0 CFADRP Fc1cccc(CCCN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923536546 626478953 /nfs/dbraw/zinc/47/89/53/626478953.db2.gz PHNWRVNEWDRFDP-KRWDZBQOSA-N 2 0 276.399 2.976 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)o1 ZINC000839182225 626529980 /nfs/dbraw/zinc/52/99/80/626529980.db2.gz LTCLQYXGZNIRHA-AWEZNQCLSA-N 2 0 250.386 2.718 20 0 CFADRP COC(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC ZINC000851750928 634511100 /nfs/dbraw/zinc/51/11/00/634511100.db2.gz LNTUDWYEHGAHBR-INIZCTEOSA-N 2 0 298.471 2.583 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCOC(F)F)C1 ZINC000851773146 634519734 /nfs/dbraw/zinc/51/97/34/634519734.db2.gz JQNYCIIMAMHYLZ-KBPBESRZSA-N 2 0 290.398 2.812 20 0 CFADRP C[C@H]([NH2+]CCCOc1ccccc1F)C1CC[NH+](C)CC1 ZINC000764929513 627107308 /nfs/dbraw/zinc/10/73/08/627107308.db2.gz QTCTXJPAWLIWDS-AWEZNQCLSA-N 2 0 294.414 2.915 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@@H](C)N1CCCCC1 ZINC000765253013 627126330 /nfs/dbraw/zinc/12/63/30/627126330.db2.gz KOWVCFBMENBGRU-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccnc(Cl)c1 ZINC000765448047 627138905 /nfs/dbraw/zinc/13/89/05/627138905.db2.gz XMPXIZCXTUTSGL-LLVKDONJSA-N 2 0 255.793 2.727 20 0 CFADRP COc1ccc2c(N[C@H](C)CC[NH+](C)C)cc[nH+]c2c1 ZINC000765489727 627141887 /nfs/dbraw/zinc/14/18/87/627141887.db2.gz QCELGRFZAZZEFQ-GFCCVEGCSA-N 2 0 273.380 2.996 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000765512079 627144290 /nfs/dbraw/zinc/14/42/90/627144290.db2.gz JANYJCGVSFBXDB-KGLIPLIRSA-N 2 0 297.402 2.916 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC000765780086 627157258 /nfs/dbraw/zinc/15/72/58/627157258.db2.gz NFZSRAOYCXGWMB-HNNXBMFYSA-N 2 0 278.371 2.581 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000766124548 627178355 /nfs/dbraw/zinc/17/83/55/627178355.db2.gz YCALDTRCJVDRIN-UTUOFQBUSA-N 2 0 277.239 2.596 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2cccs2)CC1 ZINC000766115681 627179299 /nfs/dbraw/zinc/17/92/99/627179299.db2.gz JDSZTDCYZQLXHE-MRXNPFEDSA-N 2 0 296.480 2.808 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000766514412 627206848 /nfs/dbraw/zinc/20/68/48/627206848.db2.gz VQPGXWQXCNKBDX-NJINODPHSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000766514845 627206888 /nfs/dbraw/zinc/20/68/88/627206888.db2.gz ZJJKTYODPCNYKY-JCYILVPMSA-N 2 0 280.456 2.798 20 0 CFADRP CCc1noc(C)c1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000769873370 627483107 /nfs/dbraw/zinc/48/31/07/627483107.db2.gz LIPOXOXUSOZUIC-LLVKDONJSA-N 2 0 253.390 2.538 20 0 CFADRP C[C@@H](NCc1cccc(F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926244 634593560 /nfs/dbraw/zinc/59/35/60/634593560.db2.gz MGGOZNOQPAMLLK-ZIAGYGMSSA-N 2 0 291.414 2.963 20 0 CFADRP Cc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000774231596 627907206 /nfs/dbraw/zinc/90/72/06/627907206.db2.gz WLPNNIKEANLORV-ALOPSCKCSA-N 2 0 288.435 2.979 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000774835431 627969362 /nfs/dbraw/zinc/96/93/62/627969362.db2.gz MAORLANYYDEMMU-INIZCTEOSA-N 2 0 266.429 2.733 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775361379 628015450 /nfs/dbraw/zinc/01/54/50/628015450.db2.gz KCRAVGHMZAABLB-MGPQQGTHSA-N 2 0 288.526 2.688 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000775622852 628046776 /nfs/dbraw/zinc/04/67/76/628046776.db2.gz JGCMCAXRSGWASB-CQSZACIVSA-N 2 0 289.423 2.787 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000779154058 628356010 /nfs/dbraw/zinc/35/60/10/628356010.db2.gz OUKPWUPOZXLNPS-UHFFFAOYSA-N 2 0 279.403 2.775 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000779343369 628375513 /nfs/dbraw/zinc/37/55/13/628375513.db2.gz XHLCZPXGYZKEPN-HZPDHXFCSA-N 2 0 290.451 2.922 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@H](O)c1ccccc1)C2 ZINC000852106124 634660230 /nfs/dbraw/zinc/66/02/30/634660230.db2.gz UXWZLTSNIVLGLS-ZWKOTPCHSA-N 2 0 288.435 2.528 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC[C@@H](O)c1ccccc1)C2 ZINC000852106121 634660685 /nfs/dbraw/zinc/66/06/85/634660685.db2.gz UXWZLTSNIVLGLS-MSOLQXFVSA-N 2 0 288.435 2.528 20 0 CFADRP CCOCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000782949921 628665248 /nfs/dbraw/zinc/66/52/48/628665248.db2.gz JLVYYLWUQZFJTD-UHFFFAOYSA-N 2 0 292.423 2.635 20 0 CFADRP CCOCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000782961965 628666268 /nfs/dbraw/zinc/66/62/68/628666268.db2.gz MLCFNANTHJTOPD-ZBFHGGJFSA-N 2 0 292.423 2.632 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000783234216 628690431 /nfs/dbraw/zinc/69/04/31/628690431.db2.gz RDQWEZFPABVWHF-RHSMWYFYSA-N 2 0 276.424 2.905 20 0 CFADRP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000787338090 629007915 /nfs/dbraw/zinc/00/79/15/629007915.db2.gz YOUJPQGKSZGFHD-QGZVFWFLSA-N 2 0 294.483 2.880 20 0 CFADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788476738 629073051 /nfs/dbraw/zinc/07/30/51/629073051.db2.gz SMEBGURQXJTTOK-CRAIPNDOSA-N 2 0 288.435 2.790 20 0 CFADRP CC[C@H](c1ccncc1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788484642 629074084 /nfs/dbraw/zinc/07/40/84/629074084.db2.gz COCMPVQALXODIB-MRXNPFEDSA-N 2 0 261.413 2.806 20 0 CFADRP CC[C@](C)([NH2+]CC1CC[NH+](C)CC1)c1nccs1 ZINC000788495030 629074767 /nfs/dbraw/zinc/07/47/67/629074767.db2.gz XOXFPTGRPDXMCM-AWEZNQCLSA-N 2 0 267.442 2.700 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790054323 629206399 /nfs/dbraw/zinc/20/63/99/629206399.db2.gz IKMPIVBKVQRLRV-DLBZAZTESA-N 2 0 290.451 2.663 20 0 CFADRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000791135789 629288613 /nfs/dbraw/zinc/28/86/13/629288613.db2.gz JOZSXSOVZREIEB-LLVKDONJSA-N 2 0 277.412 2.747 20 0 CFADRP C[N@H+](CCc1cccs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453412 629919650 /nfs/dbraw/zinc/91/96/50/629919650.db2.gz GXSAMAHUGYBQFU-PBWFPOADSA-N 2 0 264.438 2.848 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796794559 629968477 /nfs/dbraw/zinc/96/84/77/629968477.db2.gz VBADGHOAORZIIG-ZACQAIPSSA-N 2 0 291.439 2.686 20 0 CFADRP C[C@@H]1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000852564159 634780871 /nfs/dbraw/zinc/78/08/71/634780871.db2.gz FGQVJAHOAFSNMZ-NUJGCVRESA-N 2 0 287.451 2.724 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799191008 630285481 /nfs/dbraw/zinc/28/54/81/630285481.db2.gz GZMIYHBZBUKAQA-HZPDHXFCSA-N 2 0 273.424 2.745 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ncc(Cl)n2C)C1 ZINC000799334491 630299678 /nfs/dbraw/zinc/29/96/78/630299678.db2.gz NXRMYZYOXPPWNA-CYBMUJFWSA-N 2 0 298.862 2.675 20 0 CFADRP CCCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852760222 634827029 /nfs/dbraw/zinc/82/70/29/634827029.db2.gz CIXATCVWUTXLAU-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806135551 630771361 /nfs/dbraw/zinc/77/13/61/630771361.db2.gz LJNZEFMOKUMRPC-LBPRGKRZSA-N 2 0 267.804 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H](O)c2ccccc2)C[C@H]1C ZINC000808732391 631038305 /nfs/dbraw/zinc/03/83/05/631038305.db2.gz FFMRSCQNNLFFBC-NJAFHUGGSA-N 2 0 290.451 2.915 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809737419 631275528 /nfs/dbraw/zinc/27/55/28/631275528.db2.gz HONMWTDFURRRGL-MAUKXSAKSA-N 2 0 290.451 2.995 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000841009514 631303326 /nfs/dbraw/zinc/30/33/26/631303326.db2.gz PUTPMYALJAYHMC-KGLIPLIRSA-N 2 0 282.453 2.765 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(Cl)nc2)cc1 ZINC000841032592 631313657 /nfs/dbraw/zinc/31/36/57/631313657.db2.gz UGVPWBJVTAQMIA-UHFFFAOYSA-N 2 0 275.783 2.526 20 0 CFADRP C(C1CCCCC1)[NH+]1CCC(N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000841057284 631324854 /nfs/dbraw/zinc/32/48/54/631324854.db2.gz ITQVSHKCPVKVOA-QGZVFWFLSA-N 2 0 293.499 2.763 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1C ZINC000841080208 631332833 /nfs/dbraw/zinc/33/28/33/631332833.db2.gz QWPJUTNCUHHDIW-HNNXBMFYSA-N 2 0 274.408 2.544 20 0 CFADRP Clc1csc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000841079782 631332845 /nfs/dbraw/zinc/33/28/45/631332845.db2.gz NXFWCFSGVLZZQO-LLVKDONJSA-N 2 0 256.802 2.633 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@@H]1CC[C@@H]3SCCS[C@@H]13)CC[NH2+]2 ZINC000841088664 631336758 /nfs/dbraw/zinc/33/67/58/631336758.db2.gz BKUIZKWKQQYHSU-MQYQWHSLSA-N 2 0 298.521 2.630 20 0 CFADRP COc1c(C)cc(C[NH2+]CCC[NH2+]C2CC2)cc1C ZINC000841092486 631338593 /nfs/dbraw/zinc/33/85/93/631338593.db2.gz MOXDUVFQYBGMGV-UHFFFAOYSA-N 2 0 262.397 2.544 20 0 CFADRP C[C@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000842471769 631639135 /nfs/dbraw/zinc/63/91/35/631639135.db2.gz YGPZOCQMRXMSDV-LSDHHAIUSA-N 2 0 258.409 2.995 20 0 CFADRP CC1(C)C[N@H+](CCCCCCC[NH3+])C(C)(C)CO1 ZINC000842472494 631639253 /nfs/dbraw/zinc/63/92/53/631639253.db2.gz BENFRJAOHPMYIY-UHFFFAOYSA-N 2 0 256.434 2.785 20 0 CFADRP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(N)n1)c1ccccc1 ZINC000043532877 650018877 /nfs/dbraw/zinc/01/88/77/650018877.db2.gz QVGGEZLISPXHSB-HNNXBMFYSA-N 2 0 299.422 2.862 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC000842674384 631701807 /nfs/dbraw/zinc/70/18/07/631701807.db2.gz ZIUUAUSRYAORHT-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000843044367 631812347 /nfs/dbraw/zinc/81/23/47/631812347.db2.gz GZZQTJQANFHMBC-TWMKSMIVSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cnc1Cl ZINC000843048595 631815352 /nfs/dbraw/zinc/81/53/52/631815352.db2.gz JOFFYQXSFJYHIU-LLVKDONJSA-N 2 0 267.804 2.603 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055556 631819344 /nfs/dbraw/zinc/81/93/44/631819344.db2.gz HBVXLTOEUYQIQQ-FNORWQNLSA-N 2 0 274.408 2.910 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)c(-c2cnn(C)c2)c1 ZINC000843105343 631836886 /nfs/dbraw/zinc/83/68/86/631836886.db2.gz UNZDNJAJVBJHKM-UHFFFAOYSA-N 2 0 298.434 2.755 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2c(C3CC3)nc3sccn23)CC1 ZINC000843104436 631837019 /nfs/dbraw/zinc/83/70/19/631837019.db2.gz JUUPCMBJORJVJI-UHFFFAOYSA-N 2 0 290.436 2.633 20 0 CFADRP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cnc1Cl ZINC000843120155 631841668 /nfs/dbraw/zinc/84/16/68/631841668.db2.gz DFNTWBLAZRFYRY-UHFFFAOYSA-N 2 0 279.815 2.619 20 0 CFADRP c1ccc2c(c1)cncc2C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120206 631842242 /nfs/dbraw/zinc/84/22/42/631842242.db2.gz WQTOUUBKYNCZSU-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc4c3NCC4)C2)CC1 ZINC000843119091 631842339 /nfs/dbraw/zinc/84/23/39/631842339.db2.gz AQDSKPZGBQRAFR-UHFFFAOYSA-N 2 0 299.462 2.962 20 0 CFADRP [NH3+]CCCCCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000843126824 631846524 /nfs/dbraw/zinc/84/65/24/631846524.db2.gz JKTXWBPSSZUNCE-AATRIKPKSA-N 2 0 250.361 2.948 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CCCCCC[NH3+] ZINC000843127303 631847097 /nfs/dbraw/zinc/84/70/97/631847097.db2.gz NQGYMBZLNOZFIM-NTMALXAHSA-N 2 0 262.397 2.817 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cnc1Cl ZINC000843126615 631847116 /nfs/dbraw/zinc/84/71/16/631847116.db2.gz LUMWECVJOWALOQ-HNNXBMFYSA-N 2 0 293.842 2.865 20 0 CFADRP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCCCC[NH3+])o1 ZINC000843128127 631847351 /nfs/dbraw/zinc/84/73/51/631847351.db2.gz IACJJWPNPCVKJN-UHFFFAOYSA-N 2 0 290.411 2.597 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])oc21 ZINC000843128700 631847424 /nfs/dbraw/zinc/84/74/24/631847424.db2.gz KVTFMUAPALRRMT-GHMZBOCLSA-N 2 0 262.353 2.657 20 0 CFADRP Cn1cc(C[NH2+]CCCCCC[NH3+])c(-c2ccccc2)n1 ZINC000843128152 631848303 /nfs/dbraw/zinc/84/83/03/631848303.db2.gz UURSSCMEDXBCKY-UHFFFAOYSA-N 2 0 286.423 2.696 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000843129738 631848939 /nfs/dbraw/zinc/84/89/39/631848939.db2.gz ZJPSPJBNBJCCKI-HRCADAONSA-N 2 0 280.456 2.702 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843340008 631931268 /nfs/dbraw/zinc/93/12/68/631931268.db2.gz GRVGENPCELNZSS-HYVNUMGLSA-N 2 0 287.451 2.620 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1(Cl)Cl ZINC000843340968 631931334 /nfs/dbraw/zinc/93/13/34/631931334.db2.gz WUCJEPDYKSOQON-WRWGMCAJSA-N 2 0 277.239 2.548 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)COC2 ZINC000843342314 631932217 /nfs/dbraw/zinc/93/22/17/631932217.db2.gz JVTVPBOOANQESX-ZDUSSCGKSA-N 2 0 262.397 2.887 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843342850 631932584 /nfs/dbraw/zinc/93/25/84/631932584.db2.gz QMJWKYWSVVBYGO-MELADBBJSA-N 2 0 262.372 2.612 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCCCC[NH3+])c(OC)c1 ZINC000843342305 631932627 /nfs/dbraw/zinc/93/26/27/631932627.db2.gz JRKYFBLRRNKLKF-CYBMUJFWSA-N 2 0 280.412 2.874 20 0 CFADRP [NH3+]CCCCCCCN1CC[NH2+]Cc2ccccc21 ZINC000843348581 631934466 /nfs/dbraw/zinc/93/44/66/631934466.db2.gz KZSWIEUSZVGROQ-UHFFFAOYSA-N 2 0 261.413 2.505 20 0 CFADRP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843348869 631934657 /nfs/dbraw/zinc/93/46/57/631934657.db2.gz TZPQSVJVRKOARZ-GJZGRUSLSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355873 631936012 /nfs/dbraw/zinc/93/60/12/631936012.db2.gz ZFWOGUVZJVPBRI-LBDPXKHJSA-N 2 0 268.445 2.783 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccc(Cl)nc1 ZINC000843357642 631936594 /nfs/dbraw/zinc/93/65/94/631936594.db2.gz MEGJCRXEOOVPDD-UHFFFAOYSA-N 2 0 281.831 2.947 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCOc1ccc(F)cc1 ZINC000843361310 631938062 /nfs/dbraw/zinc/93/80/62/631938062.db2.gz FBZXCCADUFPJFQ-MQVJKMGUSA-N 2 0 292.398 2.939 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000843385540 631942001 /nfs/dbraw/zinc/94/20/01/631942001.db2.gz OPMUEBVKMJIKMN-ZDUSSCGKSA-N 2 0 279.815 2.557 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843392348 631943947 /nfs/dbraw/zinc/94/39/47/631943947.db2.gz NEXPDWOPCDPONR-JKSUJKDBSA-N 2 0 268.445 2.787 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000843388636 631943989 /nfs/dbraw/zinc/94/39/89/631943989.db2.gz UZJMVYCRVXQQNI-STQMWFEESA-N 2 0 279.815 2.557 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000844221777 632137138 /nfs/dbraw/zinc/13/71/38/632137138.db2.gz KFNKDDNCYUDJQQ-UHFFFAOYSA-N 3 0 283.504 2.948 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000844223724 632137930 /nfs/dbraw/zinc/13/79/30/632137930.db2.gz AJWLBRAXUQHCPV-ZIAGYGMSSA-N 2 0 277.412 2.620 20 0 CFADRP Cc1nocc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000815128766 632210494 /nfs/dbraw/zinc/21/04/94/632210494.db2.gz MMJBISCUQLIEQW-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP Fc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000815151117 632218152 /nfs/dbraw/zinc/21/81/52/632218152.db2.gz KIXXCUKNUKIWGP-UHFFFAOYSA-N 2 0 265.376 2.576 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cc2)C12CCC2 ZINC000925490014 635762175 /nfs/dbraw/zinc/76/21/75/635762175.db2.gz GMYOIHYNWOARIK-ZIAGYGMSSA-N 2 0 280.799 2.578 20 0 CFADRP c1cc2c(c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c1)CCC2 ZINC000844903182 632331797 /nfs/dbraw/zinc/33/17/97/632331797.db2.gz YTNLLHYRVSFRJK-SFHVURJKSA-N 2 0 270.420 2.751 20 0 CFADRP [NH3+]CC1(CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000844903698 632331849 /nfs/dbraw/zinc/33/18/49/632331849.db2.gz LCMHIPLMNPBNGP-UHFFFAOYSA-N 2 0 264.335 2.826 20 0 CFADRP COc1cccc2cc(C[NH2+]CCC3(C[NH3+])CC3)oc21 ZINC000844903913 632332293 /nfs/dbraw/zinc/33/22/93/632332293.db2.gz RPBXHAMZZQUVNF-UHFFFAOYSA-N 2 0 274.364 2.660 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000844923368 632338105 /nfs/dbraw/zinc/33/81/05/632338105.db2.gz FQZPIEIMZXZOHQ-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP CCCCC[C@@H](C)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000816620762 632496952 /nfs/dbraw/zinc/49/69/52/632496952.db2.gz KFZCBHOLXILIMO-MRXNPFEDSA-N 2 0 297.487 2.537 20 0 CFADRP C[C@H](O)c1ncc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000816644492 632501240 /nfs/dbraw/zinc/50/12/40/632501240.db2.gz OLMAUQDFHVZCLW-ZDUSSCGKSA-N 2 0 297.468 2.552 20 0 CFADRP CCC[N@H+](CCCCCC[NH3+])C[C@H]1CCCCO1 ZINC000846218321 632663873 /nfs/dbraw/zinc/66/38/73/632663873.db2.gz QQYWVRYLIUHIBG-OAHLLOKOSA-N 2 0 256.434 2.787 20 0 CFADRP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCCCC[NH3+])C1 ZINC000846218873 632664343 /nfs/dbraw/zinc/66/43/43/632664343.db2.gz XGGZFEVWFSFSKD-HOTGVXAUSA-N 2 0 297.487 2.522 20 0 CFADRP Cc1ccccc1[C@H]1C[N@H+](CCCCCC[NH3+])CCO1 ZINC000846219813 632665789 /nfs/dbraw/zinc/66/57/89/632665789.db2.gz YGKCMWMNPKPEPU-QGZVFWFLSA-N 2 0 276.424 2.887 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000846221350 632667578 /nfs/dbraw/zinc/66/75/78/632667578.db2.gz XONOTWKXMLBOMT-UHFFFAOYSA-N 2 0 275.440 2.855 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1CCCCCCC1 ZINC000817888524 632717261 /nfs/dbraw/zinc/71/72/61/632717261.db2.gz HHBPFECFWHIUTP-HNNXBMFYSA-N 2 0 256.434 2.690 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1OC ZINC000817898990 632722755 /nfs/dbraw/zinc/72/27/55/632722755.db2.gz MUFNTXLRJJSUSI-SCRDCRAPSA-N 2 0 250.386 2.862 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000817898549 632722873 /nfs/dbraw/zinc/72/28/73/632722873.db2.gz IRRGFTLETCDYEW-DLBZAZTESA-N 2 0 285.391 2.958 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000817899186 632723357 /nfs/dbraw/zinc/72/33/57/632723357.db2.gz DUGLAKPQFBSAPA-ZGRYLRDCSA-N 3 0 279.472 2.514 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901067 632724031 /nfs/dbraw/zinc/72/40/31/632724031.db2.gz SDABWZATZOJVRJ-AQEOSJORSA-N 3 0 293.499 2.891 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCNc2ccccc2)c2ccccc21 ZINC000817900573 632724479 /nfs/dbraw/zinc/72/44/79/632724479.db2.gz NSIBKVKDHVNKHI-SJORKVTESA-N 2 0 267.376 2.833 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817901928 632725633 /nfs/dbraw/zinc/72/56/33/632725633.db2.gz ZXORKLGNQRJAMC-XOKHGSTOSA-N 2 0 294.414 2.760 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817901862 632725717 /nfs/dbraw/zinc/72/57/17/632725717.db2.gz YVHFSVUBZFVKIE-GVDBMIGSSA-N 2 0 273.424 2.609 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000817901593 632725958 /nfs/dbraw/zinc/72/59/58/632725958.db2.gz CBYGHXYVLWKJOP-CQSZACIVSA-N 2 0 263.429 2.750 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000817905841 632727713 /nfs/dbraw/zinc/72/77/13/632727713.db2.gz UVIZGFNPUJWNIM-IIAWOOMASA-N 2 0 264.413 2.606 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904952 632727762 /nfs/dbraw/zinc/72/77/62/632727762.db2.gz IKCUPOZSERCGGT-MIOCFURKSA-N 2 0 294.414 2.745 20 0 CFADRP Cc1cccc(C)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817908064 632729154 /nfs/dbraw/zinc/72/91/54/632729154.db2.gz NDZRKQKLORSQGO-RCCFBDPRSA-N 2 0 288.435 2.550 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000817912368 632730853 /nfs/dbraw/zinc/73/08/53/632730853.db2.gz IJLSDXFCZATDKR-CRWXNKLISA-N 2 0 282.453 2.538 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000817912515 632731389 /nfs/dbraw/zinc/73/13/89/632731389.db2.gz APTITBUNUZCOFW-RYUDHWBXSA-N 2 0 273.380 2.724 20 0 CFADRP C[C@H]1CCNC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914149 632732140 /nfs/dbraw/zinc/73/21/40/632732140.db2.gz RUPGSDBRAYECTN-DLBZAZTESA-N 2 0 281.488 2.620 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000817918949 632734433 /nfs/dbraw/zinc/73/44/33/632734433.db2.gz ZYGBJYCUVSUAGD-ULQDDVLXSA-N 2 0 288.435 2.607 20 0 CFADRP C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817922433 632735570 /nfs/dbraw/zinc/73/55/70/632735570.db2.gz FZODIAVMPMZCDL-YKWDICOMSA-N 2 0 288.435 2.547 20 0 CFADRP C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000817922431 632735836 /nfs/dbraw/zinc/73/58/36/632735836.db2.gz FZODIAVMPMZCDL-FQXVJMBOSA-N 2 0 288.435 2.547 20 0 CFADRP C[C@@](O)(C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(Cl)c1 ZINC000817923278 632736810 /nfs/dbraw/zinc/73/68/10/632736810.db2.gz VPQWWXNMEZKWKJ-VDSRIPIWSA-N 2 0 296.842 2.655 20 0 CFADRP C[C@](O)(CC[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000817923599 632737055 /nfs/dbraw/zinc/73/70/55/632737055.db2.gz CYFMVXKOUDKWCD-IKGGRYGDSA-N 2 0 276.424 2.534 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000817927002 632737485 /nfs/dbraw/zinc/73/74/85/632737485.db2.gz XMZVTXOOXLCUNX-SZMVWBNQSA-N 2 0 290.451 2.929 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817926269 632737964 /nfs/dbraw/zinc/73/79/64/632737964.db2.gz CRZRQOWLDVNRTG-MLHJIOFPSA-N 2 0 288.435 2.539 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000817929338 632739657 /nfs/dbraw/zinc/73/96/57/632739657.db2.gz NODCMDJHBZGGDK-BRWVUGGUSA-N 2 0 276.424 2.532 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817929846 632739711 /nfs/dbraw/zinc/73/97/11/632739711.db2.gz LMSANIMGOYXRDV-NSHDSACASA-N 2 0 255.793 2.651 20 0 CFADRP COc1cc([C@@H](C)NCC[NH3+])ccc1SC(F)F ZINC000817934274 632741289 /nfs/dbraw/zinc/74/12/89/632741289.db2.gz FPVFUGWGAYHWJO-MRVPVSSYSA-N 2 0 276.352 2.619 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817940884 632744307 /nfs/dbraw/zinc/74/43/07/632744307.db2.gz OROYRBFXCXUBHI-MRVPVSSYSA-N 2 0 276.211 2.836 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000817947818 632749233 /nfs/dbraw/zinc/74/92/33/632749233.db2.gz RXUPDIWCMPERTQ-OWCLPIDISA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccnc(Cl)c1 ZINC000817947491 632749815 /nfs/dbraw/zinc/74/98/15/632749815.db2.gz OLTBNAYRDULRLF-OIKLOGQESA-N 2 0 253.777 2.656 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000817949979 632750810 /nfs/dbraw/zinc/75/08/10/632750810.db2.gz VQPISJAPAOPKCL-AWEZNQCLSA-N 2 0 296.414 2.974 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)nc1 ZINC000817959303 632757694 /nfs/dbraw/zinc/75/76/94/632757694.db2.gz FQBGEIKBTLSBET-GMXVVIOVSA-N 2 0 267.804 2.903 20 0 CFADRP C(C[NH2+]C1CCCCCC1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000817960661 632759596 /nfs/dbraw/zinc/75/95/96/632759596.db2.gz PHINIDHRYZRJIV-UHFFFAOYSA-N 2 0 296.455 2.574 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817965005 632763398 /nfs/dbraw/zinc/76/33/98/632763398.db2.gz MLWLBTAFTMRVTJ-CXAGYDPISA-N 2 0 274.408 2.662 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000817976108 632774651 /nfs/dbraw/zinc/77/46/51/632774651.db2.gz GGXCJIMTLPBIFC-XJKSGUPXSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000817977302 632774965 /nfs/dbraw/zinc/77/49/65/632774965.db2.gz HCMSNBYNAWJODQ-NXEZZACHSA-N 2 0 286.217 2.622 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccnc1Cl ZINC000817980043 632777334 /nfs/dbraw/zinc/77/73/34/632777334.db2.gz ILDVLWPBFCWTJS-NEPJUHHUSA-N 2 0 267.804 2.918 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817982277 632779108 /nfs/dbraw/zinc/77/91/08/632779108.db2.gz QPYSHWKPYQWTGN-GZBFAFLISA-N 2 0 262.397 2.863 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000817984226 632781373 /nfs/dbraw/zinc/78/13/73/632781373.db2.gz OXCKDYZRHKSVLX-LBPRGKRZSA-N 2 0 250.361 2.927 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccnc(Cl)c1 ZINC000817986758 632782021 /nfs/dbraw/zinc/78/20/21/632782021.db2.gz UJLCQKXITLFKPX-LLVKDONJSA-N 2 0 265.788 2.695 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(Cl)n1)CC[NH2+]CC2 ZINC000818340934 632832511 /nfs/dbraw/zinc/83/25/11/632832511.db2.gz SOLAFZKGNVRSOJ-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)CCO2 ZINC000818617396 632881221 /nfs/dbraw/zinc/88/12/21/632881221.db2.gz DYSPBKCCAGXZOA-BZUAXINKSA-N 2 0 274.408 2.932 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000818953635 632914587 /nfs/dbraw/zinc/91/45/87/632914587.db2.gz OGDGUYBBNCMJON-IBGZPJMESA-N 2 0 298.430 2.880 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000818974049 632918270 /nfs/dbraw/zinc/91/82/70/632918270.db2.gz CGTAQUVLFJTTDG-GOSISDBHSA-N 2 0 290.451 2.658 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000818984488 632922988 /nfs/dbraw/zinc/92/29/88/632922988.db2.gz IRZKZMSNFLFLMH-FUHWJXTLSA-N 2 0 290.451 2.738 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000818990826 632924159 /nfs/dbraw/zinc/92/41/59/632924159.db2.gz POBFODTYEIQJQC-KRWDZBQOSA-N 2 0 294.414 2.571 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000819079445 632956945 /nfs/dbraw/zinc/95/69/45/632956945.db2.gz AEVUIKMZGBIIDP-JKSUJKDBSA-N 2 0 296.430 2.815 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C(C)(C)C ZINC000819081991 632957402 /nfs/dbraw/zinc/95/74/02/632957402.db2.gz NALLQHNCSWUXPX-CVEARBPZSA-N 2 0 296.430 2.815 20 0 CFADRP C[C@@H](CC[NH2+]C[C@H](O)c1cccc(F)c1)[NH+]1CCCCC1 ZINC000819228259 633028970 /nfs/dbraw/zinc/02/89/70/633028970.db2.gz HELYDKPNRJDVMF-YOEHRIQHSA-N 2 0 294.414 2.713 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000819231549 633029673 /nfs/dbraw/zinc/02/96/73/633029673.db2.gz YCXQZAQBCIQTMN-AEFFLSMTSA-N 2 0 290.451 2.883 20 0 CFADRP CC(C)c1ccccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000848524512 633276265 /nfs/dbraw/zinc/27/62/65/633276265.db2.gz HACYUGOEUCVEGA-UHFFFAOYSA-N 2 0 289.467 2.537 20 0 CFADRP Cn1c(Cl)ncc1C[NH2+]CCCCCCC[NH+](C)C ZINC000848532166 633280125 /nfs/dbraw/zinc/28/01/25/633280125.db2.gz ZHGOEZUULKMSCK-UHFFFAOYSA-N 2 0 286.851 2.675 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848558508 633288882 /nfs/dbraw/zinc/28/88/82/633288882.db2.gz QPXMPIBNVUUMEZ-LXZKKBNFSA-N 2 0 258.409 2.912 20 0 CFADRP [NH3+]CCCCCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000107788531 633318727 /nfs/dbraw/zinc/31/87/27/633318727.db2.gz UWYMZQIYXDHZIW-UHFFFAOYSA-N 2 0 289.467 2.760 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CC2(Cl)Cl)C1 ZINC000848721987 633325197 /nfs/dbraw/zinc/32/51/97/633325197.db2.gz JYBKRJPMXKTHNM-HBNTYKKESA-N 2 0 265.228 2.820 20 0 CFADRP CCCCCCNC(=[NH2+])NCC1([NH+](C)C)CCCC1 ZINC000848981275 633415192 /nfs/dbraw/zinc/41/51/92/633415192.db2.gz PDNNXFJYEHZTJJ-UHFFFAOYSA-N 2 0 268.449 2.555 20 0 CFADRP Cc1ccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCCC2)cc1C ZINC000848986590 633418361 /nfs/dbraw/zinc/41/83/61/633418361.db2.gz KCGHBPPALQRSLH-AWEZNQCLSA-N 2 0 274.412 2.724 20 0 CFADRP CC(C)[N@H+](C)CCCNC(=[NH2+])NC1CCCCCC1 ZINC000848987680 633418385 /nfs/dbraw/zinc/41/83/85/633418385.db2.gz PWCLDDDAVNDUMA-UHFFFAOYSA-N 2 0 268.449 2.553 20 0 CFADRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCCC[NH+](C)C ZINC000848990022 633419200 /nfs/dbraw/zinc/41/92/00/633419200.db2.gz SKJHFDOGSQTNHD-AWEZNQCLSA-N 2 0 270.465 2.657 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])NC2CCCC2)C1 ZINC000848989240 633419400 /nfs/dbraw/zinc/41/94/00/633419400.db2.gz IFZOCBWFQUTNTB-CQSZACIVSA-N 2 0 280.460 2.555 20 0 CFADRP CC[NH+]1CCC(CNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000848996373 633451668 /nfs/dbraw/zinc/45/16/68/633451668.db2.gz XOBNYLURIGUILS-UHFFFAOYSA-N 2 0 274.412 2.663 20 0 CFADRP CCNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000849007854 633457238 /nfs/dbraw/zinc/45/72/38/633457238.db2.gz XWTDASYIEPXYHI-HOCLYGCPSA-N 2 0 290.455 2.886 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849016844 633462498 /nfs/dbraw/zinc/46/24/98/633462498.db2.gz MRJRBJWEIBYJDM-CABCVRRESA-N 2 0 282.476 2.655 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C1=CCCC1 ZINC000849039287 633475199 /nfs/dbraw/zinc/47/51/99/633475199.db2.gz QQKFUVPTKVAYNF-OAHLLOKOSA-N 2 0 292.471 2.721 20 0 CFADRP COc1cccc(NC(=[NH2+])NCCCC[N@H+](C)C2CC2)c1 ZINC000849039855 633476029 /nfs/dbraw/zinc/47/60/29/633476029.db2.gz USEJNBVXHAVXGZ-UHFFFAOYSA-N 2 0 290.411 2.506 20 0 CFADRP COc1cccc(NC(=[NH2+])NCCC[N@H+](C)CC(C)C)c1 ZINC000849046494 633479516 /nfs/dbraw/zinc/47/95/16/633479516.db2.gz HTTUCDKKWOYARY-UHFFFAOYSA-N 2 0 292.427 2.609 20 0 CFADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCC(C)C)CC(C)C ZINC000849053734 633481533 /nfs/dbraw/zinc/48/15/33/633481533.db2.gz DCKYDFHASWBAKY-OAHLLOKOSA-N 2 0 284.492 2.903 20 0 CFADRP CC(C)CCNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000849053139 633481740 /nfs/dbraw/zinc/48/17/40/633481740.db2.gz BWCWRCNVTRAESK-UHFFFAOYSA-N 2 0 282.476 2.801 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC1CCCCC1 ZINC000849061893 633482944 /nfs/dbraw/zinc/48/29/44/633482944.db2.gz ZQEKUZLYRMJWRB-MRXNPFEDSA-N 2 0 294.487 2.945 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C)CCCCC1 ZINC000849084470 633484764 /nfs/dbraw/zinc/48/47/64/633484764.db2.gz SRYDRKOBKNSREI-CQSZACIVSA-N 2 0 280.460 2.555 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849107658 633486366 /nfs/dbraw/zinc/48/63/66/633486366.db2.gz IHEVALLWOLGAPV-HNNXBMFYSA-N 2 0 294.487 2.945 20 0 CFADRP CCCNC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000849108132 633486393 /nfs/dbraw/zinc/48/63/93/633486393.db2.gz DAEGDSJZMIHENH-UHFFFAOYSA-N 2 0 280.460 2.557 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCO1 ZINC000849350809 633626258 /nfs/dbraw/zinc/62/62/58/633626258.db2.gz XEYWPYGAEZGMHN-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850297094 633931071 /nfs/dbraw/zinc/93/10/71/633931071.db2.gz DTAOBWVUBPIZOZ-AWEZNQCLSA-N 2 0 256.353 2.546 20 0 CFADRP Cc1nc(C)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000850419076 633984072 /nfs/dbraw/zinc/98/40/72/633984072.db2.gz AMNFOJSNWAPPEX-UHFFFAOYSA-N 2 0 293.480 2.972 20 0 CFADRP CCc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000858162965 636145107 /nfs/dbraw/zinc/14/51/07/636145107.db2.gz STNWDGLJOLXTQB-IRXDYDNUSA-N 2 0 290.451 2.745 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000850472466 634006482 /nfs/dbraw/zinc/00/64/82/634006482.db2.gz ZEWDXYPVIPBTEX-KGLIPLIRSA-N 2 0 276.424 2.860 20 0 CFADRP C(CC1SCCS1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000850571080 634056837 /nfs/dbraw/zinc/05/68/37/634056837.db2.gz QDQKIGHUFQQXRQ-UHFFFAOYSA-N 2 0 286.510 2.647 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C12CCC2 ZINC000850582778 634060525 /nfs/dbraw/zinc/06/05/25/634060525.db2.gz LGDZFTDWKNXAOZ-IRXDYDNUSA-N 2 0 292.467 2.656 20 0 CFADRP C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)C1SCCS1 ZINC000853022768 634879278 /nfs/dbraw/zinc/87/92/78/634879278.db2.gz DZKKQAXAOBUHBT-ZDUSSCGKSA-N 2 0 286.510 2.504 20 0 CFADRP C[C@H]1CCC[N@H+](CCC2SCCS2)[C@@H]1CC[NH3+] ZINC000853022869 634879342 /nfs/dbraw/zinc/87/93/42/634879342.db2.gz GLSYYEPDHLRCIV-NWDGAFQWSA-N 2 0 274.499 2.632 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C1SCCS1 ZINC000853023514 634880009 /nfs/dbraw/zinc/88/00/09/634880009.db2.gz ZOFGYZRFHHZSCO-CYBMUJFWSA-N 2 0 286.510 2.647 20 0 CFADRP Cc1ncc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000853093042 634901693 /nfs/dbraw/zinc/90/16/93/634901693.db2.gz ACORBLMMDBCLKG-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP CCCCOCCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925487793 634925895 /nfs/dbraw/zinc/92/58/95/634925895.db2.gz FRSRVTXHQVPTMY-SJORKVTESA-N 2 0 282.472 2.951 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853239583 634948458 /nfs/dbraw/zinc/94/84/58/634948458.db2.gz IHAYGTGEZCCFRL-DJIMGWMZSA-N 2 0 262.441 2.887 20 0 CFADRP c1csc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000111453421 635051829 /nfs/dbraw/zinc/05/18/29/635051829.db2.gz VJCVKKNSKRXOLB-HIFRSBDPSA-N 2 0 264.438 2.755 20 0 CFADRP [NH3+][C@H]1C[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000854135893 635223939 /nfs/dbraw/zinc/22/39/39/635223939.db2.gz ZQHSOUFPXOWNOF-SHTZXODSSA-N 2 0 298.390 2.537 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221623 635260770 /nfs/dbraw/zinc/26/07/70/635260770.db2.gz QPWYPAHFLSGODL-KBXCAEBGSA-N 2 0 286.419 2.980 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000854230836 635266091 /nfs/dbraw/zinc/26/60/91/635266091.db2.gz ZWFLIFUJARGRGD-ZYHUDNBSSA-N 2 0 255.793 2.759 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000854230497 635266716 /nfs/dbraw/zinc/26/67/16/635266716.db2.gz RVEBFFFVLCDZCB-CMPLNLGQSA-N 2 0 255.793 2.759 20 0 CFADRP c1n[nH]c2c1CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000857867768 636041138 /nfs/dbraw/zinc/04/11/38/636041138.db2.gz JREISUIXEVDJBW-HNNXBMFYSA-N 2 0 276.428 2.643 20 0 CFADRP C[C@@H](COc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115576 636131570 /nfs/dbraw/zinc/13/15/70/636131570.db2.gz MHKXEEVEIFRKAC-GJZGRUSLSA-N 2 0 276.424 2.916 20 0 CFADRP OCc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000858412879 636226769 /nfs/dbraw/zinc/22/67/69/636226769.db2.gz SICWVDQNLQPIEJ-SFHVURJKSA-N 2 0 297.402 2.650 20 0 CFADRP CC(C)CC[NH+]1CCC(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858439809 636240834 /nfs/dbraw/zinc/24/08/34/636240834.db2.gz SJPDRNAVGZTHPD-UHFFFAOYSA-N 2 0 291.439 2.744 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CO2 ZINC000858462850 636253586 /nfs/dbraw/zinc/25/35/86/636253586.db2.gz QNPGYXWBIXOSNB-PNRVRQOCSA-N 2 0 286.419 2.513 20 0 CFADRP CC(C)CC[C@@H](O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212105 636505668 /nfs/dbraw/zinc/50/56/68/636505668.db2.gz FMHOIZDPMZYHRV-GOSISDBHSA-N 2 0 292.467 2.977 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc(N)c2)cc1 ZINC000859212124 636505686 /nfs/dbraw/zinc/50/56/86/636505686.db2.gz GGBOHJBZWJEFQQ-UHFFFAOYSA-N 2 0 283.419 2.962 20 0 CFADRP CC(C)COCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212463 636506836 /nfs/dbraw/zinc/50/68/36/636506836.db2.gz LGOGNRSKXRDCKZ-UHFFFAOYSA-N 2 0 278.440 2.853 20 0 CFADRP C1CC2(C1)[NH2+]CC[C@@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000863483074 637674378 /nfs/dbraw/zinc/67/43/78/637674378.db2.gz QEPPFIXTTWLKTC-KRWDZBQOSA-N 2 0 291.483 2.658 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000864054821 637849516 /nfs/dbraw/zinc/84/95/16/637849516.db2.gz BKNUGAAOYQQGFS-SJLPKXTDSA-N 2 0 299.462 2.777 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000865625551 638471231 /nfs/dbraw/zinc/47/12/31/638471231.db2.gz PSPUZBDJZZKIHW-UHFFFAOYSA-N 2 0 285.313 2.821 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000865716598 638531760 /nfs/dbraw/zinc/53/17/60/638531760.db2.gz AWDWNRPPWBDFPG-GOEBONIOSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000865716800 638531777 /nfs/dbraw/zinc/53/17/77/638531777.db2.gz DTYFBXMKFIFIKN-UHFFFAOYSA-N 2 0 298.862 2.674 20 0 CFADRP Cc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cn1 ZINC000865717313 638532619 /nfs/dbraw/zinc/53/26/19/638532619.db2.gz WHJNPDYCKMOBSP-UHFFFAOYSA-N 2 0 275.440 2.990 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000865717321 638532628 /nfs/dbraw/zinc/53/26/28/638532628.db2.gz WHRUCMVETDEAIT-WBVHZDCISA-N 2 0 293.499 2.712 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865717869 638532668 /nfs/dbraw/zinc/53/26/68/638532668.db2.gz NPQGNLYTIXGOKJ-UHFFFAOYSA-N 2 0 290.455 2.818 20 0 CFADRP c1c[nH]c(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000865717678 638532678 /nfs/dbraw/zinc/53/26/78/638532678.db2.gz IOCRZFCNTLMCNJ-UHFFFAOYSA-N 2 0 298.434 2.802 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717122 638532727 /nfs/dbraw/zinc/53/27/27/638532727.db2.gz PJVMTKUWCUYWQM-OAHLLOKOSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCSC2)CC1 ZINC000865717224 638532915 /nfs/dbraw/zinc/53/29/15/638532915.db2.gz SMPVRZJERMRZPM-OAHLLOKOSA-N 2 0 270.486 2.982 20 0 CFADRP Cn1ncc(C2CC2)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765144 638562523 /nfs/dbraw/zinc/56/25/23/638562523.db2.gz XOCIKCBHJOOVFR-UHFFFAOYSA-N 2 0 290.455 2.650 20 0 CFADRP Cn1cccc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774162 638564891 /nfs/dbraw/zinc/56/48/91/638564891.db2.gz QHOLSYQDGSKIFU-UHFFFAOYSA-N 2 0 297.446 2.778 20 0 CFADRP c1cc(C[NH2+]CCCCC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000865786268 638573251 /nfs/dbraw/zinc/57/32/51/638573251.db2.gz IEBZPEWECCXLKM-UHFFFAOYSA-N 2 0 270.380 2.937 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865788510 638575925 /nfs/dbraw/zinc/57/59/25/638575925.db2.gz TXMHOEYBVXNCFD-RYUDHWBXSA-N 2 0 296.402 2.888 20 0 CFADRP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)C1 ZINC000865827269 638595452 /nfs/dbraw/zinc/59/54/52/638595452.db2.gz GILNKIKMPXMGBG-ZDUSSCGKSA-N 2 0 285.313 2.632 20 0 CFADRP Nc1cc[nH+]c2c1CN(c1cc[nH+]cc1C(F)(F)F)CC2 ZINC000865910053 638653178 /nfs/dbraw/zinc/65/31/78/638653178.db2.gz KUSZSNYDLLDDCZ-UHFFFAOYSA-N 2 0 294.280 2.640 20 0 CFADRP C(C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000866219136 638773013 /nfs/dbraw/zinc/77/30/13/638773013.db2.gz HGVFEIRSYJXPDG-IRXDYDNUSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1cccnc1)C[NH+]1CCCC1 ZINC000866237619 638776986 /nfs/dbraw/zinc/77/69/86/638776986.db2.gz IKLIQBONNQGCOK-CVEARBPZSA-N 2 0 275.440 2.724 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866280128 638788623 /nfs/dbraw/zinc/78/86/23/638788623.db2.gz NYMGWFGOKBSOBO-DOTOQJQBSA-N 2 0 293.455 2.725 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000866280131 638788639 /nfs/dbraw/zinc/78/86/39/638788639.db2.gz NYMGWFGOKBSOBO-WBVHZDCISA-N 2 0 293.455 2.725 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000866283421 638789140 /nfs/dbraw/zinc/78/91/40/638789140.db2.gz XYCPPSFCTVJKBD-HYVNUMGLSA-N 2 0 275.440 2.865 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000866315967 638795964 /nfs/dbraw/zinc/79/59/64/638795964.db2.gz VJSRRANHHNFTOX-OAHLLOKOSA-N 2 0 258.409 2.778 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000866469970 638826684 /nfs/dbraw/zinc/82/66/84/638826684.db2.gz QRKSYACRSRMERQ-AWEZNQCLSA-N 2 0 278.444 2.581 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000866516584 638834471 /nfs/dbraw/zinc/83/44/71/638834471.db2.gz CVAQHTGLBKEJJC-WHRQZHCMSA-N 3 0 293.499 2.712 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC23CCOCC3)[C@H](C)C1 ZINC000866527680 638835787 /nfs/dbraw/zinc/83/57/87/638835787.db2.gz MHGTZZVPISMYGM-OAGGEKHMSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2c3ccccc3CN2C)CC1 ZINC000866561635 638845076 /nfs/dbraw/zinc/84/50/76/638845076.db2.gz IIBIVMQQAYZODK-SFHVURJKSA-N 2 0 287.451 2.637 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC000866621973 638856697 /nfs/dbraw/zinc/85/66/97/638856697.db2.gz KVAUIEGMKAQMBT-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP C(CC1CC1)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866665151 638862644 /nfs/dbraw/zinc/86/26/44/638862644.db2.gz CLXRGWNKGNAMDH-HZPDHXFCSA-N 2 0 250.430 2.888 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)OC1 ZINC000866665971 638863030 /nfs/dbraw/zinc/86/30/30/638863030.db2.gz JOYBVHZIJQLGEH-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CCC[NH3+] ZINC000866703138 638867523 /nfs/dbraw/zinc/86/75/23/638867523.db2.gz KISUFJKWLQDXGD-CYBMUJFWSA-N 2 0 250.361 2.742 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCOc2ccccc2F)C1 ZINC000866702547 638867561 /nfs/dbraw/zinc/86/75/61/638867561.db2.gz COONBWHLXUZXNU-KRWDZBQOSA-N 2 0 294.414 2.901 20 0 CFADRP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1CCC[NH3+] ZINC000866703139 638867746 /nfs/dbraw/zinc/86/77/46/638867746.db2.gz KISUFJKWLQDXGD-ZDUSSCGKSA-N 2 0 250.361 2.742 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000866704030 638868361 /nfs/dbraw/zinc/86/83/61/638868361.db2.gz OFDBSCHTIGOKAU-HOTGVXAUSA-N 2 0 288.460 2.517 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708656 638868730 /nfs/dbraw/zinc/86/87/30/638868730.db2.gz SQNDGQBRAUSBRK-BBRMVZONSA-N 2 0 261.413 2.840 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCOCc2ccccc2)C1 ZINC000866707398 638869215 /nfs/dbraw/zinc/86/92/15/638869215.db2.gz NSDUDLDTLDFEIK-GOSISDBHSA-N 2 0 290.451 2.900 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC1CCCCCC1 ZINC000866715704 638870055 /nfs/dbraw/zinc/87/00/55/638870055.db2.gz FCVBMYAVPVHBBR-WBVHZDCISA-N 2 0 280.456 2.800 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000866717701 638870069 /nfs/dbraw/zinc/87/00/69/638870069.db2.gz MWLBNOBHQONCOP-HZPDHXFCSA-N 2 0 288.435 2.874 20 0 CFADRP CCC[NH+]1CCC(CN[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925494179 638872793 /nfs/dbraw/zinc/87/27/93/638872793.db2.gz JPPLFBPULNSHHB-MAUKXSAKSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121212464 638874328 /nfs/dbraw/zinc/87/43/28/638874328.db2.gz RQJYLKMWKKPXGH-TUVASFSCSA-N 2 0 294.464 2.777 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000121994041 638918827 /nfs/dbraw/zinc/91/88/27/638918827.db2.gz AHTXAFUAPKPZSK-UKRRQHHQSA-N 2 0 264.388 2.688 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]CC2(O)CCCCC2)CC1 ZINC000871910992 641509943 /nfs/dbraw/zinc/50/99/43/641509943.db2.gz DNCHOULANVBVHS-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872023353 641554051 /nfs/dbraw/zinc/55/40/51/641554051.db2.gz REAYFNNOWUAOII-INIZCTEOSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1nccn1CCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872025289 641556528 /nfs/dbraw/zinc/55/65/28/641556528.db2.gz JYKNTODLJFKINT-NSHDSACASA-N 2 0 277.343 2.777 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](CC)[C@@H]2CCCOC2)CC1 ZINC000872034684 641566281 /nfs/dbraw/zinc/56/62/81/641566281.db2.gz QOXMYCWBONNPRA-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCOC1 ZINC000872088756 641622252 /nfs/dbraw/zinc/62/22/52/641622252.db2.gz PYVGCFRAZOVZNJ-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP c1ccc(NC2CC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000872134929 641663976 /nfs/dbraw/zinc/66/39/76/641663976.db2.gz ZZWJIXGXOJZDID-BFWZDYSYSA-N 2 0 285.435 2.846 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000872143839 641670605 /nfs/dbraw/zinc/67/06/05/641670605.db2.gz YFTWFWPOFJLVMS-JYJNAYRXSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872145801 641672255 /nfs/dbraw/zinc/67/22/55/641672255.db2.gz ZDVDTEVGJZATHE-RHSMWYFYSA-N 2 0 280.456 2.643 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000872145256 641672762 /nfs/dbraw/zinc/67/27/62/641672762.db2.gz QSORBLQLJIUVPK-SJORKVTESA-N 2 0 292.467 2.657 20 0 CFADRP c1ccc2c(c1)CC[C@@]21CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000872146354 641673725 /nfs/dbraw/zinc/67/37/25/641673725.db2.gz LZIOQZDFYCOXJV-QAPCUYQASA-N 2 0 270.420 2.576 20 0 CFADRP Cc1csc([C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000872147002 641674066 /nfs/dbraw/zinc/67/40/66/641674066.db2.gz BWZHWDQPERYZGT-KBPBESRZSA-N 2 0 279.453 2.631 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CC[C@H](C(F)(F)F)O1 ZINC000872154710 641676159 /nfs/dbraw/zinc/67/61/59/641676159.db2.gz WWMXVFMHSDXSKZ-CHWSQXEVSA-N 2 0 296.377 2.937 20 0 CFADRP [NH3+]CCCCCCCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000872154509 641676272 /nfs/dbraw/zinc/67/62/72/641676272.db2.gz RUMKRTZTKCOWSK-HNNXBMFYSA-N 2 0 275.440 2.848 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCC1SCCS1 ZINC000872155891 641677359 /nfs/dbraw/zinc/67/73/59/641677359.db2.gz ZYNYYUCGFLUVOB-UHFFFAOYSA-N 2 0 262.488 2.634 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156718 641677826 /nfs/dbraw/zinc/67/78/26/641677826.db2.gz LJSISCLBRFNBER-OFQRWUPVSA-N 2 0 268.445 2.641 20 0 CFADRP COC(=O)CCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158893 641678670 /nfs/dbraw/zinc/67/86/70/641678670.db2.gz YWROISZVBXSVIG-GDBMZVCRSA-N 2 0 296.455 2.559 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCOC(F)F)C1)C1CCCC1 ZINC000872158898 641679253 /nfs/dbraw/zinc/67/92/53/641679253.db2.gz YXWMRFLNDVITTN-JSGCOSHPSA-N 2 0 290.398 2.845 20 0 CFADRP c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(C2CC2)c[nH+]1 ZINC000872460936 641819084 /nfs/dbraw/zinc/81/90/84/641819084.db2.gz MNZBXFDVNMIGOY-AWEZNQCLSA-N 2 0 271.408 2.881 20 0 CFADRP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](C[NH3+])C3)n2)cc1 ZINC000873201856 642064373 /nfs/dbraw/zinc/06/43/73/642064373.db2.gz NZZUUYXJSOPUGG-CQSZACIVSA-N 2 0 296.418 2.502 20 0 CFADRP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1cccc(O)c1 ZINC000873201934 642064880 /nfs/dbraw/zinc/06/48/80/642064880.db2.gz QBBOAZBORRLEJD-UHFFFAOYSA-N 2 0 288.416 2.731 20 0 CFADRP Fc1ccccc1CC[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000873211904 642068743 /nfs/dbraw/zinc/06/87/43/642068743.db2.gz GXASYZAXOQEOCL-UHFFFAOYSA-N 2 0 290.407 2.865 20 0 CFADRP C[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccn1 ZINC000873211464 642069043 /nfs/dbraw/zinc/06/90/43/642069043.db2.gz OHERBHDIHXRLGV-NSHDSACASA-N 2 0 273.405 2.640 20 0 CFADRP C[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccccn1 ZINC000873211463 642069241 /nfs/dbraw/zinc/06/92/41/642069241.db2.gz OHERBHDIHXRLGV-LLVKDONJSA-N 2 0 273.405 2.640 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CC[NH2+]CC1 ZINC000873219877 642071814 /nfs/dbraw/zinc/07/18/14/642071814.db2.gz GWCNEHVCIOPRGD-SECBINFHSA-N 2 0 258.818 2.879 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873219639 642073361 /nfs/dbraw/zinc/07/33/61/642073361.db2.gz BKSCWCPOOAXKPO-YOEHRIQHSA-N 2 0 260.425 2.985 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873220157 642074068 /nfs/dbraw/zinc/07/40/68/642074068.db2.gz KNHDBVGEKNISBO-LBPRGKRZSA-N 2 0 264.388 2.866 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CC[NH2+]CC1 ZINC000873220248 642074235 /nfs/dbraw/zinc/07/42/35/642074235.db2.gz HUKGGTPWYXLEJM-DAXOMENPSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873222286 642074819 /nfs/dbraw/zinc/07/48/19/642074819.db2.gz KPPXLXIBMKULDU-AWEZNQCLSA-N 2 0 298.434 2.863 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1F ZINC000873222153 642074860 /nfs/dbraw/zinc/07/48/60/642074860.db2.gz CEJGEVYLTLUKIJ-LBPRGKRZSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873222306 642074964 /nfs/dbraw/zinc/07/49/64/642074964.db2.gz LTGCXJQTIASRHP-AWEZNQCLSA-N 2 0 298.434 2.863 20 0 CFADRP C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)C1CC[NH2+]CC1 ZINC000873221781 642075353 /nfs/dbraw/zinc/07/53/53/642075353.db2.gz PGDCQUAPINBMBA-LLVKDONJSA-N 2 0 281.469 2.918 20 0 CFADRP Cc1ncc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000873222135 642075600 /nfs/dbraw/zinc/07/56/00/642075600.db2.gz AUOZRLAMMQMPDT-AWEZNQCLSA-N 2 0 298.434 2.658 20 0 CFADRP CCn1nc(C)c(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1C ZINC000873224021 642078044 /nfs/dbraw/zinc/07/80/44/642078044.db2.gz WMHQPNPWDRWJOY-QGZVFWFLSA-N 2 0 292.471 2.717 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1C(F)(F)F ZINC000873227660 642079430 /nfs/dbraw/zinc/07/94/30/642079430.db2.gz KNUMFIYSKHWAHN-UKRRQHHQSA-N 2 0 298.352 2.744 20 0 CFADRP COCCC1([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000873225621 642079775 /nfs/dbraw/zinc/07/97/75/642079775.db2.gz VRRANGKTQNXRNU-HUUCEWRRSA-N 2 0 268.445 2.561 20 0 CFADRP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873227010 642079810 /nfs/dbraw/zinc/07/98/10/642079810.db2.gz BDXDJUDFXBJCKW-HNAYVOBHSA-N 2 0 296.414 2.890 20 0 CFADRP COc1cc(C)c(C[N@H+](C)CCCCCC[NH3+])c(C)n1 ZINC000873231270 642083761 /nfs/dbraw/zinc/08/37/61/642083761.db2.gz BVOOSKYLGZJLNA-UHFFFAOYSA-N 2 0 279.428 2.658 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@H+](C)CCCCCC[NH3+] ZINC000873231817 642085613 /nfs/dbraw/zinc/08/56/13/642085613.db2.gz WSZRMXCFPRRPGN-UHFFFAOYSA-N 2 0 266.433 2.723 20 0 CFADRP [NH3+][C@H](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)Cc1ccccc1 ZINC000873233904 642086892 /nfs/dbraw/zinc/08/68/92/642086892.db2.gz AWHIJLVUGABBCY-BRWVUGGUSA-N 2 0 258.409 2.725 20 0 CFADRP CC1(C)CC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH2+]C1 ZINC000873238262 642089275 /nfs/dbraw/zinc/08/92/75/642089275.db2.gz YRNFOWJZQFUXQC-WCXIOVBPSA-N 2 0 293.499 2.665 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccnc(Cl)c1 ZINC000873239785 642089750 /nfs/dbraw/zinc/08/97/50/642089750.db2.gz CRIGSFXTFHWQRP-NQBHXWOUSA-N 2 0 267.804 2.903 20 0 CFADRP CCC(CC)(C[NH2+][C@@H](C)C1C[NH2+]C1)C(F)(F)F ZINC000873250885 642090201 /nfs/dbraw/zinc/09/02/01/642090201.db2.gz SYCXONPKLSDDOM-VIFPVBQESA-N 2 0 252.324 2.553 20 0 CFADRP C([NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCC2(CC2)CC1 ZINC000873243340 642091629 /nfs/dbraw/zinc/09/16/29/642091629.db2.gz WYBVWXOWVAVTEQ-IKGGRYGDSA-N 2 0 292.467 2.704 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873249479 642096007 /nfs/dbraw/zinc/09/60/07/642096007.db2.gz AUVTVPIBXHCWRH-GHMZBOCLSA-N 2 0 284.391 2.650 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000873250397 642096644 /nfs/dbraw/zinc/09/66/44/642096644.db2.gz HEFZKPYIAUIURH-MJBXVCDLSA-N 2 0 268.351 2.580 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc2[nH]c(=O)oc2c1 ZINC000873250111 642097005 /nfs/dbraw/zinc/09/70/05/642097005.db2.gz DVKRIRQBIZGLEI-IFUGULHKSA-N 2 0 289.379 2.557 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCSCCC(F)(F)F ZINC000873250504 642097123 /nfs/dbraw/zinc/09/71/23/642097123.db2.gz GCAJIYHENQYXHQ-WDEREUQCSA-N 2 0 284.391 2.779 20 0 CFADRP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873251390 642097792 /nfs/dbraw/zinc/09/77/92/642097792.db2.gz LXXRDCBESLGJCV-XLNGHYISSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253905 642100318 /nfs/dbraw/zinc/10/03/18/642100318.db2.gz GZEOCIOXUFENOR-JLLWLGSASA-N 2 0 267.442 2.963 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1sccc1Br ZINC000873254615 642100794 /nfs/dbraw/zinc/10/07/94/642100794.db2.gz YIEXZSLNHVLHLK-HLTSFMKQSA-N 2 0 289.242 2.899 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873255127 642101065 /nfs/dbraw/zinc/10/10/65/642101065.db2.gz DJMFSTVLYHCKDD-RGCMKSIDSA-N 2 0 262.397 2.514 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1nccc2ccccc21 ZINC000873256378 642101581 /nfs/dbraw/zinc/10/15/81/642101581.db2.gz MDAQYJQTKICXNG-YRGRVCCFSA-N 2 0 255.365 2.623 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873256121 642101856 /nfs/dbraw/zinc/10/18/56/642101856.db2.gz KMJSMTMEPPBKPM-YRGRVCCFSA-N 2 0 264.438 2.666 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000873255821 642101992 /nfs/dbraw/zinc/10/19/92/642101992.db2.gz ISBPCIQADNZLLA-DTZQCDIJSA-N 2 0 258.409 2.896 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1OCC ZINC000873257588 642102623 /nfs/dbraw/zinc/10/26/23/642102623.db2.gz VPVUVGRFESZOHD-NFAWXSAZSA-N 2 0 292.423 2.872 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000873257579 642102932 /nfs/dbraw/zinc/10/29/32/642102932.db2.gz UIIWHZXSCQJRJD-LUKYLMHMSA-N 2 0 258.409 2.725 20 0 CFADRP CC(C)[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873257638 642103276 /nfs/dbraw/zinc/10/32/76/642103276.db2.gz URWCAGIWTCRYKM-ULQDDVLXSA-N 2 0 260.425 2.971 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc(C)c1F ZINC000873258238 642103435 /nfs/dbraw/zinc/10/34/35/642103435.db2.gz YPELQGFGGOMFRA-YRGRVCCFSA-N 2 0 250.361 2.830 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258220 642103745 /nfs/dbraw/zinc/10/37/45/642103745.db2.gz YEKYCGJPGISLIT-JKOKRWQUSA-N 2 0 252.789 2.598 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000873261958 642106277 /nfs/dbraw/zinc/10/62/77/642106277.db2.gz UIOCWLXIQDZRKA-SLBVQIDZSA-N 2 0 259.397 2.653 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)s1 ZINC000873263834 642107212 /nfs/dbraw/zinc/10/72/12/642107212.db2.gz LIOXHEHDQXHZLC-WTDIUWLJSA-N 2 0 279.453 2.941 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000873264738 642107733 /nfs/dbraw/zinc/10/77/33/642107733.db2.gz QVWSZGITFJOXMP-JKJDWNRSSA-N 2 0 280.456 2.699 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c(F)c1 ZINC000873265553 642108842 /nfs/dbraw/zinc/10/88/42/642108842.db2.gz NMDQXXLYUMJNII-VXGBXAGGSA-N 2 0 280.387 2.873 20 0 CFADRP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873265463 642109463 /nfs/dbraw/zinc/10/94/63/642109463.db2.gz VNKZJPHKKXLIKW-ARILJUKYSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000873268400 642110994 /nfs/dbraw/zinc/11/09/94/642110994.db2.gz WEKOWMJKKFXERD-CHWSQXEVSA-N 2 0 293.430 2.930 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873268297 642111196 /nfs/dbraw/zinc/11/11/96/642111196.db2.gz UKCATONWJNEHMP-VHDGCEQUSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)C1CC[NH2+]CC1 ZINC000873267954 642111204 /nfs/dbraw/zinc/11/12/04/642111204.db2.gz MTUQKNCBWXIZAY-BMIGLBTASA-N 2 0 280.362 2.930 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269692 642111796 /nfs/dbraw/zinc/11/17/96/642111796.db2.gz SDENEJCKKGGERJ-JKIFEVAISA-N 2 0 276.424 2.740 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C1(C)C ZINC000873271515 642112621 /nfs/dbraw/zinc/11/26/21/642112621.db2.gz IIBREYNPUBNDKM-CFVMTHIKSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000873271031 642112632 /nfs/dbraw/zinc/11/26/32/642112632.db2.gz CROGVGGLIAVZOD-STQMWFEESA-N 2 0 274.408 2.756 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cnn1C(C)C ZINC000873271638 642112734 /nfs/dbraw/zinc/11/27/34/642112734.db2.gz KQXMOGBDINRWGD-QWHCGFSZSA-N 2 0 278.444 2.811 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272004 642113329 /nfs/dbraw/zinc/11/33/29/642113329.db2.gz NMANNEYZAIMAEZ-NHYWBVRUSA-N 2 0 292.398 2.799 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)C1CC[NH2+]CC1 ZINC000873271942 642113370 /nfs/dbraw/zinc/11/33/70/642113370.db2.gz MTUQKNCBWXIZAY-BONVTDFDSA-N 2 0 280.362 2.930 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272424 642113451 /nfs/dbraw/zinc/11/34/51/642113451.db2.gz SDENEJCKKGGERJ-JJRVBVJISA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1CCCF)C1CC[NH2+]CC1 ZINC000873272241 642113519 /nfs/dbraw/zinc/11/35/19/642113519.db2.gz QULWZYYRKOZRNC-QEJZJMRPSA-N 2 0 256.409 2.883 20 0 CFADRP C[C@H]([NH2+][C@@H]1CSCCc2ccccc21)C1CC[NH2+]CC1 ZINC000873272651 642113678 /nfs/dbraw/zinc/11/36/78/642113678.db2.gz VYUVKVFDXWBAFX-SUMWQHHRSA-N 2 0 290.476 2.995 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873274066 642114007 /nfs/dbraw/zinc/11/40/07/642114007.db2.gz RLAFQJATBRFRDO-IRCOFANPSA-N 2 0 262.319 2.743 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000873275159 642115475 /nfs/dbraw/zinc/11/54/75/642115475.db2.gz IVWFUXFJEGLOOH-KBPBESRZSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873284994 642118879 /nfs/dbraw/zinc/11/88/79/642118879.db2.gz WRYNYXSQZKCWPP-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(F)c1 ZINC000873290163 642122821 /nfs/dbraw/zinc/12/28/21/642122821.db2.gz OGOUSBDZSUAJFD-CZUORRHYSA-N 2 0 292.398 2.635 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873290785 642122972 /nfs/dbraw/zinc/12/29/72/642122972.db2.gz RZQVEHREGUJEBJ-STQMWFEESA-N 2 0 280.437 2.557 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000873291141 642122998 /nfs/dbraw/zinc/12/29/98/642122998.db2.gz URZOEXSGQLMIJM-DLBZAZTESA-N 2 0 288.435 2.886 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290268 642123206 /nfs/dbraw/zinc/12/32/06/642123206.db2.gz CCOKHSFUCCCQKM-IKGGRYGDSA-N 2 0 292.467 2.704 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000873294955 642125768 /nfs/dbraw/zinc/12/57/68/642125768.db2.gz WPMILPVVPGDSMM-HOTGVXAUSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1nccnc1[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000873295810 642126655 /nfs/dbraw/zinc/12/66/55/642126655.db2.gz QJXOSVFWQIMCOB-VHDGCEQUSA-N 2 0 276.428 2.746 20 0 CFADRP Cc1nccnc1[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000873295809 642126685 /nfs/dbraw/zinc/12/66/85/642126685.db2.gz QJXOSVFWQIMCOB-SNPRPXQTSA-N 2 0 276.428 2.746 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124551227 642220791 /nfs/dbraw/zinc/22/07/91/642220791.db2.gz GCBGVTGTJGIBEM-DCGLDWPTSA-N 2 0 294.414 2.568 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086403350 650796281 /nfs/dbraw/zinc/79/62/81/650796281.db2.gz QFXKYMVEUUZDPG-RKDXNWHRSA-N 2 0 289.242 2.870 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C)CCCC3)CC[C@@H]21 ZINC000876812549 643019655 /nfs/dbraw/zinc/01/96/55/643019655.db2.gz MPTDCWBVGQGPPY-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2COC3(CCCCC3)O2)CC1 ZINC000126206169 643048989 /nfs/dbraw/zinc/04/89/89/643048989.db2.gz AHGBRFGZSUTFQP-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000877012423 643103874 /nfs/dbraw/zinc/10/38/74/643103874.db2.gz TYGJBBRIHFUBAH-RCCFBDPRSA-N 2 0 293.499 2.737 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000877019095 643106168 /nfs/dbraw/zinc/10/61/68/643106168.db2.gz GJQGJHBNWMNCPI-ZIFCJYIRSA-N 2 0 299.462 2.648 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000877076427 643138678 /nfs/dbraw/zinc/13/86/78/643138678.db2.gz MIMPUBOZJMKXHA-JCYILVPMSA-N 2 0 280.456 2.798 20 0 CFADRP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000877138001 643172664 /nfs/dbraw/zinc/17/26/64/643172664.db2.gz HCSWYUMAYWIWER-BFUOFWGJSA-N 2 0 288.372 2.561 20 0 CFADRP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000877143645 643176209 /nfs/dbraw/zinc/17/62/09/643176209.db2.gz UMPMIOFVWLEBCB-IFXJQAMLSA-N 2 0 290.388 2.785 20 0 CFADRP C[NH+](C)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877461511 643281334 /nfs/dbraw/zinc/28/13/34/643281334.db2.gz BPZNJKWGWGHFDA-FUHWJXTLSA-N 2 0 287.451 2.506 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089143008 650828433 /nfs/dbraw/zinc/82/84/33/650828433.db2.gz SHHNIQFFTGCETO-YOEHRIQHSA-N 2 0 291.439 2.556 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(C)CCCC3)C2)C1 ZINC000877552985 643354418 /nfs/dbraw/zinc/35/44/18/643354418.db2.gz YBPPKXIEKIJMES-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1CC=CCC1 ZINC000877664294 643442174 /nfs/dbraw/zinc/44/21/74/643442174.db2.gz MCZKYVATGPUXIJ-MRXNPFEDSA-N 2 0 280.456 2.633 20 0 CFADRP CO[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000877684274 643453549 /nfs/dbraw/zinc/45/35/49/643453549.db2.gz SBWQNIKCBGTMTE-QGZVFWFLSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@](C)(C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684702 643453871 /nfs/dbraw/zinc/45/38/71/643453871.db2.gz UBCLWFGHKSIXRR-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000877697239 643459152 /nfs/dbraw/zinc/45/91/52/643459152.db2.gz JBDXRFJASLWDHA-UHFFFAOYSA-N 2 0 296.846 2.730 20 0 CFADRP c1ccc(C[NH+]2CCC(CC[NH2+]C3CSC3)CC2)cc1 ZINC000877697273 643459426 /nfs/dbraw/zinc/45/94/26/643459426.db2.gz JVQRVMOVHZRHKB-UHFFFAOYSA-N 2 0 290.476 2.994 20 0 CFADRP Cc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)no1 ZINC000877697459 643460362 /nfs/dbraw/zinc/46/03/62/643460362.db2.gz NJHINQFWJQEDBK-UHFFFAOYSA-N 2 0 265.401 2.583 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000877698642 643460570 /nfs/dbraw/zinc/46/05/70/643460570.db2.gz ZLWNJHANGLHKGA-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718473 643481972 /nfs/dbraw/zinc/48/19/72/643481972.db2.gz JVIAETZVPXLGAB-HZPDHXFCSA-N 2 0 290.451 2.663 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ccccc4C3)CC[C@@H]21 ZINC000877737457 643499511 /nfs/dbraw/zinc/49/95/11/643499511.db2.gz GHIYTJXIHOUWDL-LZQZEXGQSA-N 2 0 284.447 2.818 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(C)c1 ZINC000877739683 643506137 /nfs/dbraw/zinc/50/61/37/643506137.db2.gz GPMSMXWBBLJQPK-SJORKVTESA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000877743063 643515617 /nfs/dbraw/zinc/51/56/17/643515617.db2.gz TVAOSTCOVJTFKJ-YQVWRLOYSA-N 2 0 299.462 2.539 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC000877743995 643518058 /nfs/dbraw/zinc/51/80/58/643518058.db2.gz NVMRRKDOIPVXLT-YOEHRIQHSA-N 2 0 269.392 2.694 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000877743993 643519981 /nfs/dbraw/zinc/51/99/81/643519981.db2.gz NVMRRKDOIPVXLT-WMLDXEAASA-N 2 0 269.392 2.694 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000877794724 643559665 /nfs/dbraw/zinc/55/96/65/643559665.db2.gz RIRYDRCTUSEPQQ-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP C([C@H]1CC2(CCC2)CO1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877967639 643670048 /nfs/dbraw/zinc/67/00/48/643670048.db2.gz CUSVZNXFHAXQPU-QGZVFWFLSA-N 2 0 292.467 2.753 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000877969240 643671336 /nfs/dbraw/zinc/67/13/36/643671336.db2.gz YTTPOSPLQPEAMV-UHFFFAOYSA-N 2 0 296.377 2.967 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000877971346 643671953 /nfs/dbraw/zinc/67/19/53/643671953.db2.gz XCCOTPRFVHGTHH-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000877988945 643682200 /nfs/dbraw/zinc/68/22/00/643682200.db2.gz NEQFRTSTBVLURK-YESZJQIVSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)[C@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000878018051 643695087 /nfs/dbraw/zinc/69/50/87/643695087.db2.gz QQHKJGGZIDOIRA-ZWKOTPCHSA-N 2 0 296.499 2.837 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000878034686 643703999 /nfs/dbraw/zinc/70/39/99/643703999.db2.gz RFDLLJDAAZWWPX-XIRDDKMYSA-N 2 0 280.456 2.749 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878105289 643737891 /nfs/dbraw/zinc/73/78/91/643737891.db2.gz ZOWXTLPMJCCSTI-CGTJXYLNSA-N 2 0 288.435 2.790 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000878121174 643747600 /nfs/dbraw/zinc/74/76/00/643747600.db2.gz OMBQILYTNICPON-XDNAFOTISA-N 2 0 292.467 2.894 20 0 CFADRP C([C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1)[NH+]1CCCC1 ZINC000878124565 643748626 /nfs/dbraw/zinc/74/86/26/643748626.db2.gz IKCSXBVRPPMSFF-HZPDHXFCSA-N 2 0 278.440 2.506 20 0 CFADRP C([C@H]1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1)[NH+]1CCCCC1 ZINC000878134070 643754185 /nfs/dbraw/zinc/75/41/85/643754185.db2.gz OQJLWRLNBJWKLJ-SJORKVTESA-N 2 0 292.467 2.896 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000878148863 643759712 /nfs/dbraw/zinc/75/97/12/643759712.db2.gz ROEKDPRWOGNDSM-QAETUUGQSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878157154 643764777 /nfs/dbraw/zinc/76/47/77/643764777.db2.gz WPCCCXHBWAGJFC-IRXDYDNUSA-N 2 0 294.483 2.855 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878155776 643764951 /nfs/dbraw/zinc/76/49/51/643764951.db2.gz DRPVOETYZOCRDE-IAGOWNOFSA-N 2 0 292.467 2.609 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878156659 643765231 /nfs/dbraw/zinc/76/52/31/643765231.db2.gz NMFSYNGHLLQJQB-IAGOWNOFSA-N 2 0 292.467 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)O2)C[C@H]1C ZINC000878162647 643769863 /nfs/dbraw/zinc/76/98/63/643769863.db2.gz HTGMDKLHZMMTPN-PMPSAXMXSA-N 2 0 280.456 2.893 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000878164664 643770500 /nfs/dbraw/zinc/77/05/00/643770500.db2.gz MLGKGOVTJGSKEQ-HYVNUMGLSA-N 2 0 280.456 2.750 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878164665 643771053 /nfs/dbraw/zinc/77/10/53/643771053.db2.gz MLGKGOVTJGSKEQ-PVAVHDDUSA-N 2 0 280.456 2.750 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000878511846 643922657 /nfs/dbraw/zinc/92/26/57/643922657.db2.gz HPZQIOLYEMSTNM-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC000878549209 643937928 /nfs/dbraw/zinc/93/79/28/643937928.db2.gz GGJMHMCKABUDMB-HNNXBMFYSA-N 2 0 280.456 2.609 20 0 CFADRP C[N@H+](C[C@@H]1CC2(CCC2)CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608093 643955357 /nfs/dbraw/zinc/95/53/57/643955357.db2.gz GMLZRVBYBZQZFZ-QXULXFAOSA-N 2 0 278.440 2.503 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878671007 643985437 /nfs/dbraw/zinc/98/54/37/643985437.db2.gz WSOIRSZNFYJJJQ-UHFFFAOYSA-N 2 0 294.483 2.639 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cccnc3Cl)C2)CC1 ZINC000878864018 644055017 /nfs/dbraw/zinc/05/50/17/644055017.db2.gz MTKOIBBPZDKEES-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCCCCCO)CC1 ZINC000879206012 644175284 /nfs/dbraw/zinc/17/52/84/644175284.db2.gz BFESADYRNBNKEI-UHFFFAOYSA-N 2 0 282.472 2.880 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)nc1 ZINC000879250831 644194911 /nfs/dbraw/zinc/19/49/11/644194911.db2.gz JLKSDVDNDHOTBN-UHFFFAOYSA-N 2 0 287.451 2.952 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CC3(CCC3)CO1)CC2 ZINC000879251268 644195670 /nfs/dbraw/zinc/19/56/70/644195670.db2.gz RUWAFPPEWMETDZ-MRXNPFEDSA-N 2 0 292.467 2.753 20 0 CFADRP CCO[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CC1 ZINC000879251515 644196211 /nfs/dbraw/zinc/19/62/11/644196211.db2.gz XEBWOCLJLIINLP-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000879572426 644328508 /nfs/dbraw/zinc/32/85/08/644328508.db2.gz HBPNOPDKKFBZTQ-WMZOPIPTSA-N 2 0 288.435 2.654 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000879572675 644329325 /nfs/dbraw/zinc/32/93/25/644329325.db2.gz IWZIVPWOBKCXRS-ROUUACIJSA-N 2 0 272.436 2.818 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879582051 644338251 /nfs/dbraw/zinc/33/82/51/644338251.db2.gz PLRFLHRTHVLNMI-DLBZAZTESA-N 2 0 258.409 2.775 20 0 CFADRP CC(C)C[N@H+](CCc1cncs1)CC1CC[NH+](C)CC1 ZINC000879703456 644389263 /nfs/dbraw/zinc/38/92/63/644389263.db2.gz NAPZYZNQCSRARO-UHFFFAOYSA-N 2 0 295.496 2.985 20 0 CFADRP C[C@@H]([NH2+]CCCc1cncn1C)c1cc2cnccc2o1 ZINC000879715004 644394566 /nfs/dbraw/zinc/39/45/66/644394566.db2.gz NGICVNZGWDEGDT-GFCCVEGCSA-N 2 0 284.363 2.845 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880264210 644618870 /nfs/dbraw/zinc/61/88/70/644618870.db2.gz QJZKZVKFJLMFQM-HNNXBMFYSA-N 2 0 267.376 2.792 20 0 CFADRP CC(C)[C@@H](O)CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517546 644748187 /nfs/dbraw/zinc/74/81/87/644748187.db2.gz SACZDJRTHNTVNL-INIZCTEOSA-N 2 0 270.461 2.591 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128647274 644847857 /nfs/dbraw/zinc/84/78/57/644847857.db2.gz VNAHFEJHLKAZOG-QGZVFWFLSA-N 2 0 283.504 2.963 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000249978173 650969944 /nfs/dbraw/zinc/96/99/44/650969944.db2.gz LUOMIZGGIPSHSL-KZNAEPCWSA-N 2 0 293.499 2.761 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000129046847 645005486 /nfs/dbraw/zinc/00/54/86/645005486.db2.gz CAJQYCFNHKIXLG-WCQYABFASA-N 2 0 266.360 2.627 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000131035099 645611008 /nfs/dbraw/zinc/61/10/08/645611008.db2.gz XQIOPZWQSSQVQQ-GFCCVEGCSA-N 2 0 258.365 2.992 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000883145147 645624961 /nfs/dbraw/zinc/62/49/61/645624961.db2.gz OXHDAXUDRMIFLC-HNNXBMFYSA-N 2 0 288.435 2.581 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)CC[C@@H]2C)CC1 ZINC000883172496 645639843 /nfs/dbraw/zinc/63/98/43/645639843.db2.gz ISHOGRVTKQJCTE-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C([C@@H]1CCCO1)N1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883189636 645651779 /nfs/dbraw/zinc/65/17/79/645651779.db2.gz MCTOJLKKGMPCDJ-SJORKVTESA-N 2 0 292.467 2.942 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000883238572 645687210 /nfs/dbraw/zinc/68/72/10/645687210.db2.gz GQVYBGRPGJHCGK-OAHLLOKOSA-N 2 0 274.408 2.683 20 0 CFADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000131306813 645695409 /nfs/dbraw/zinc/69/54/09/645695409.db2.gz GBDKEJSNLZHLIL-HNNXBMFYSA-N 2 0 294.464 2.612 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC(F)(F)C2)CC1(C)C ZINC000883250783 645698452 /nfs/dbraw/zinc/69/84/52/645698452.db2.gz OERRBANPONDERI-LLVKDONJSA-N 2 0 260.372 2.884 20 0 CFADRP CC1(C)C[C@@]1(C)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000883261462 645706917 /nfs/dbraw/zinc/70/69/17/645706917.db2.gz CKNQIOJDLYBJMA-INIZCTEOSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CCCSC1 ZINC000131373943 645716217 /nfs/dbraw/zinc/71/62/17/645716217.db2.gz LKMDWIVOTXYHLD-AWEZNQCLSA-N 2 0 258.475 2.984 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCSC1)C(C)(C)C ZINC000131518840 645739036 /nfs/dbraw/zinc/73/90/36/645739036.db2.gz MPICFPHNVRCXLR-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@]2(C)OCCc3ccccc32)CC1 ZINC000883340339 645750664 /nfs/dbraw/zinc/75/06/64/645750664.db2.gz ONNOZVHURNMUKS-GOSISDBHSA-N 2 0 288.435 2.548 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000883356854 645763287 /nfs/dbraw/zinc/76/32/87/645763287.db2.gz XOCBBXFASYPMLJ-HNNXBMFYSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)CC1(C)C ZINC000883357365 645764118 /nfs/dbraw/zinc/76/41/18/645764118.db2.gz JZLNYKPBHAYMMH-UONOGXRCSA-N 2 0 266.429 2.551 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000883364944 645771873 /nfs/dbraw/zinc/77/18/73/645771873.db2.gz QRKZLZAXJRDEPF-SJORKVTESA-N 2 0 278.440 2.552 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000883416361 645809330 /nfs/dbraw/zinc/80/93/30/645809330.db2.gz SVVRQIRWHLQCBQ-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883416605 645809674 /nfs/dbraw/zinc/80/96/74/645809674.db2.gz ZJWSGBRQEUORIU-IRXDYDNUSA-N 2 0 274.408 2.577 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883417051 645811623 /nfs/dbraw/zinc/81/16/23/645811623.db2.gz MHTIWBMSRIDZDR-CGTJXYLNSA-N 2 0 288.435 2.838 20 0 CFADRP CC1([NH3+])CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883425984 645820104 /nfs/dbraw/zinc/82/01/04/645820104.db2.gz GGHYUOVVQIPFRB-JKSUJKDBSA-N 2 0 274.408 2.720 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883427026 645820268 /nfs/dbraw/zinc/82/02/68/645820268.db2.gz GPVJNCFYRMWPLE-RYQLBKOJSA-N 2 0 288.435 2.968 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000883430336 645824298 /nfs/dbraw/zinc/82/42/98/645824298.db2.gz SGIOTPCZPIUJCT-PMPSAXMXSA-N 2 0 278.440 2.552 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000883430335 645824655 /nfs/dbraw/zinc/82/46/55/645824655.db2.gz SGIOTPCZPIUJCT-OWCLPIDISA-N 2 0 278.440 2.552 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000883447361 645837641 /nfs/dbraw/zinc/83/76/41/645837641.db2.gz ACTNASSKJOEYDS-OAHLLOKOSA-N 2 0 284.407 2.605 20 0 CFADRP C[C@]1(c2ccccc2)CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000883459574 645843933 /nfs/dbraw/zinc/84/39/33/645843933.db2.gz BKAXFEPMKGXEOV-IAGOWNOFSA-N 2 0 286.419 2.519 20 0 CFADRP c1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCN21 ZINC000883461876 645844318 /nfs/dbraw/zinc/84/43/18/645844318.db2.gz FPQBMQGXENUFEX-WMZOPIPTSA-N 2 0 299.462 2.861 20 0 CFADRP CC1(C)Nc2ccccc2[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000883464030 645846474 /nfs/dbraw/zinc/84/64/74/645846474.db2.gz CTMZFRNIZKOHBH-DOMZBBRYSA-N 2 0 259.397 2.521 20 0 CFADRP C[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000132008625 645863276 /nfs/dbraw/zinc/86/32/76/645863276.db2.gz YEBNYSJQJLCYSK-NEPJUHHUSA-N 2 0 252.789 2.990 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC000305181446 651053523 /nfs/dbraw/zinc/05/35/23/651053523.db2.gz WGXYBQVCEQKTAL-KRWDZBQOSA-N 2 0 294.439 2.568 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000800173396 646169547 /nfs/dbraw/zinc/16/95/47/646169547.db2.gz GZWNLGAGMDJGJD-OAHLLOKOSA-N 2 0 284.444 2.526 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000884176355 646252433 /nfs/dbraw/zinc/25/24/33/646252433.db2.gz CXFHCGLYXORQCP-LSDHHAIUSA-N 2 0 299.503 2.623 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cncc3ccccc32)CC[N@@H+]1C ZINC000135380314 646527850 /nfs/dbraw/zinc/52/78/50/646527850.db2.gz FUVXNSYTTAHXAC-CJNGLKHVSA-N 2 0 269.392 2.807 20 0 CFADRP Cc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc[nH+]1 ZINC000884853303 646559508 /nfs/dbraw/zinc/55/95/08/646559508.db2.gz KVBRXUQCGWWGMT-CQSZACIVSA-N 2 0 268.364 2.500 20 0 CFADRP C[C@@H](COCc1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000885954368 646781650 /nfs/dbraw/zinc/78/16/50/646781650.db2.gz VXXSEZBOUNMAPN-MRXNPFEDSA-N 2 0 290.451 2.865 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000885959051 646783925 /nfs/dbraw/zinc/78/39/25/646783925.db2.gz RHOOSIJQHXZBTC-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885961390 646784988 /nfs/dbraw/zinc/78/49/88/646784988.db2.gz XBBHGSYZSMNWLL-ZWKOTPCHSA-N 2 0 294.483 2.857 20 0 CFADRP CCN1CCC([N@H+](C)C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886030962 646829554 /nfs/dbraw/zinc/82/95/54/646829554.db2.gz YKYQMLASWWVBEH-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886043374 646838319 /nfs/dbraw/zinc/83/83/19/646838319.db2.gz AZAURNLTNKWYCO-WCXIOVBPSA-N 2 0 262.441 2.839 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000886056964 646846617 /nfs/dbraw/zinc/84/66/17/646846617.db2.gz AEQNZAWSQBKSRP-UHFFFAOYSA-N 2 0 296.361 2.682 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886080824 646857600 /nfs/dbraw/zinc/85/76/00/646857600.db2.gz GKIVDWHFJCOCRN-ZBRFXRBCSA-N 2 0 292.467 2.606 20 0 CFADRP COCC[N@H+](CC[C@@H]1C[C@H]1C1CC1)CC1CC[NH+](C)CC1 ZINC000886304223 646959768 /nfs/dbraw/zinc/95/97/68/646959768.db2.gz QTURFHSIZMEVSP-MSOLQXFVSA-N 2 0 294.483 2.713 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886314450 646966111 /nfs/dbraw/zinc/96/61/11/646966111.db2.gz YPTCTQZCVMDYOO-FUHWJXTLSA-N 2 0 292.467 2.753 20 0 CFADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000886503848 647022044 /nfs/dbraw/zinc/02/20/44/647022044.db2.gz HTYQDXXGZXKXDY-OAGGEKHMSA-N 2 0 296.455 2.572 20 0 CFADRP CCOC[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886522828 647028044 /nfs/dbraw/zinc/02/80/44/647028044.db2.gz RLGGTQAQMRWCQQ-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCOCC2CC2)CC1 ZINC000886524278 647029462 /nfs/dbraw/zinc/02/94/62/647029462.db2.gz HMYNNNJIXFMDPV-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](CCCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538704 647036559 /nfs/dbraw/zinc/03/65/59/647036559.db2.gz MKANRCGHBBXMDS-QQFBHYJXSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H]1OCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886558967 647047291 /nfs/dbraw/zinc/04/72/91/647047291.db2.gz WRWIFAGDXBRTBB-UIDBIOKJSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cnn(C)c1 ZINC000886623465 647073189 /nfs/dbraw/zinc/07/31/89/647073189.db2.gz DWCASRLUNKHVHS-MRXNPFEDSA-N 2 0 283.379 2.555 20 0 CFADRP CCC1([NH+]2CCC2)CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000886709727 647118155 /nfs/dbraw/zinc/11/81/55/647118155.db2.gz XKSWHSDODZGSLU-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP CCC1([NH+]2CCC2)CCN(CCc2csc(C)n2)CC1 ZINC000886716161 647119964 /nfs/dbraw/zinc/11/99/64/647119964.db2.gz PZFUGRCZIDZXQA-UHFFFAOYSA-N 2 0 293.480 2.944 20 0 CFADRP CCC1([NH+]2CCC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000886716000 647120385 /nfs/dbraw/zinc/12/03/85/647120385.db2.gz LIDVMWJYWIXILS-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839475 647159780 /nfs/dbraw/zinc/15/97/80/647159780.db2.gz FOCJWACLOXAYMH-QZWWFDLISA-N 2 0 262.441 2.887 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCCCCC[NH3+])CC1 ZINC000886860045 647162583 /nfs/dbraw/zinc/16/25/83/647162583.db2.gz OWXLGFZUTRLREB-UHFFFAOYSA-N 3 0 281.488 2.846 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886874007 647165418 /nfs/dbraw/zinc/16/54/18/647165418.db2.gz DLVBVGWQRQOVPC-SFHVURJKSA-N 2 0 288.435 2.799 20 0 CFADRP C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)C1SCCS1 ZINC000886874629 647165648 /nfs/dbraw/zinc/16/56/48/647165648.db2.gz RYMBUKVVYDCANE-AWEZNQCLSA-N 2 0 286.510 2.648 20 0 CFADRP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874462 647165684 /nfs/dbraw/zinc/16/56/84/647165684.db2.gz OFWAIJMHZCFUJI-WCXIOVBPSA-N 2 0 262.441 2.888 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)OC1 ZINC000886874719 647166607 /nfs/dbraw/zinc/16/66/07/647166607.db2.gz VDCYLPFGEHUTFC-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(C)cc1C ZINC000886882050 647167281 /nfs/dbraw/zinc/16/72/81/647167281.db2.gz CHPOYTMZEZJJDT-KRWDZBQOSA-N 2 0 290.451 2.751 20 0 CFADRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000887134195 647223450 /nfs/dbraw/zinc/22/34/50/647223450.db2.gz FBDZDVKEDBNTNK-HOCLYGCPSA-N 2 0 289.423 2.550 20 0 CFADRP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1 ZINC000887134242 647223743 /nfs/dbraw/zinc/22/37/43/647223743.db2.gz FWYHIRXNDJLBKP-OAHLLOKOSA-N 2 0 297.402 2.801 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOc1ccc(Cl)cc1 ZINC000925494769 647844457 /nfs/dbraw/zinc/84/44/57/647844457.db2.gz VMKTWUCCPKDLSA-FFMGESDNSA-N 2 0 294.826 2.824 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000925498528 647861791 /nfs/dbraw/zinc/86/17/91/647861791.db2.gz QDSTUOREDOCKRJ-RRFJBIMHSA-N 2 0 273.424 2.947 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925496710 647884363 /nfs/dbraw/zinc/88/43/63/647884363.db2.gz VJIJQCFQBHKJMD-KCPJHIHWSA-N 2 0 262.372 2.616 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)no1 ZINC000924528575 647988298 /nfs/dbraw/zinc/98/82/98/647988298.db2.gz NXJAJUDZBXIJMU-CHWSQXEVSA-N 2 0 283.416 2.844 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000924571990 647997343 /nfs/dbraw/zinc/99/73/43/647997343.db2.gz PUKMFEJKTQZCDA-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924571994 647997544 /nfs/dbraw/zinc/99/75/44/647997544.db2.gz PUKMFEJKTQZCDA-YESZJQIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)C2)CO1 ZINC000924570109 647997568 /nfs/dbraw/zinc/99/75/68/647997568.db2.gz MDUSLSLMIOBYDR-RFSCMCKOSA-N 2 0 280.456 2.843 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCC[C@@H]3C)C2)CO1 ZINC000924574481 647998394 /nfs/dbraw/zinc/99/83/94/647998394.db2.gz YSDUVEWVZMBKRE-NJINODPHSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000924574199 647998465 /nfs/dbraw/zinc/99/84/65/647998465.db2.gz UIKSMXCCAYREBD-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C(C)C)CC1 ZINC000924577371 647998517 /nfs/dbraw/zinc/99/85/17/647998517.db2.gz JFNGRNJTYZCUDA-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CC2(CC([NH2+]CCC[N@@H+]3CCCC[C@@H]3C)C2)CO1 ZINC000924574479 647998667 /nfs/dbraw/zinc/99/86/67/647998667.db2.gz YSDUVEWVZMBKRE-JUVOFCAFSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924578671 647999126 /nfs/dbraw/zinc/99/91/26/647999126.db2.gz OUDUKFDSIQUWTJ-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924578685 647999222 /nfs/dbraw/zinc/99/92/22/647999222.db2.gz QHXAPNMMYGVJJQ-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000924607073 648007030 /nfs/dbraw/zinc/00/70/30/648007030.db2.gz PQRVBJHCKALWFJ-RLFYNMQTSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(C2CCC2)c1 ZINC000924650053 648019857 /nfs/dbraw/zinc/01/98/57/648019857.db2.gz PODQDINJACSQMF-KBPBESRZSA-N 2 0 288.439 2.743 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(O)cc(F)c1 ZINC000924696968 648029557 /nfs/dbraw/zinc/02/95/57/648029557.db2.gz RMTVXLMJSUOXLT-TUKIKUTGSA-N 2 0 278.371 2.809 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924708732 648031685 /nfs/dbraw/zinc/03/16/85/648031685.db2.gz ZOXUJKLPMNRIMT-KBPBESRZSA-N 2 0 276.428 2.601 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)C1 ZINC000924704445 648031815 /nfs/dbraw/zinc/03/18/15/648031815.db2.gz DSAMGBXMKFJFKB-GJZGRUSLSA-N 2 0 290.451 2.906 20 0 CFADRP CCOCCCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924712346 648032305 /nfs/dbraw/zinc/03/23/05/648032305.db2.gz YGMPRMDLLBLMHL-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1)C1CC1 ZINC000924715495 648033798 /nfs/dbraw/zinc/03/37/98/648033798.db2.gz GTUDASXINYUVAO-RYQLBKOJSA-N 2 0 287.451 2.723 20 0 CFADRP C[C@H]([NH2+]C1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000924717426 648034539 /nfs/dbraw/zinc/03/45/39/648034539.db2.gz IXRFYXPVYJMTGS-ZDUSSCGKSA-N 2 0 262.397 2.578 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000924761012 648043347 /nfs/dbraw/zinc/04/33/47/648043347.db2.gz NGTAGWGTPDBLRT-JQFCIGGWSA-N 2 0 276.424 2.702 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOCC(F)(F)F)CC1 ZINC000924810547 648052423 /nfs/dbraw/zinc/05/24/23/648052423.db2.gz POSLAPSFOWNXSE-UHFFFAOYSA-N 2 0 296.377 2.665 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(O)cc(F)c1 ZINC000924852131 648060027 /nfs/dbraw/zinc/06/00/27/648060027.db2.gz DSBPXEALLHRKQA-NSHDSACASA-N 2 0 254.349 2.524 20 0 CFADRP C[C@H]1COC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000924869717 648063695 /nfs/dbraw/zinc/06/36/95/648063695.db2.gz PCJQNCMGKIXUFW-BBRMVZONSA-N 2 0 294.464 2.585 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924930678 648074100 /nfs/dbraw/zinc/07/41/00/648074100.db2.gz VOIIPJMULRPIMA-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924955138 648078279 /nfs/dbraw/zinc/07/82/79/648078279.db2.gz MYIQLXNFYOIUQP-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cn(C(C)C)nn2)CC1 ZINC000924956523 648080090 /nfs/dbraw/zinc/08/00/90/648080090.db2.gz XEPCNUANIIXVRV-CQSZACIVSA-N 2 0 293.459 2.632 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000924962235 648081201 /nfs/dbraw/zinc/08/12/01/648081201.db2.gz ZYGSOEHQGUUVGI-QGZVFWFLSA-N 2 0 295.515 2.674 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000924962232 648081359 /nfs/dbraw/zinc/08/13/59/648081359.db2.gz ZYGSOEHQGUUVGI-KRWDZBQOSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000924965792 648081813 /nfs/dbraw/zinc/08/18/13/648081813.db2.gz BFNQFNVNMOUUAZ-LSDHHAIUSA-N 2 0 289.467 2.882 20 0 CFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](C3CC3)C(C)(C)C)C2)CC1 ZINC000925039161 648092491 /nfs/dbraw/zinc/09/24/91/648092491.db2.gz BBEBLAMEGHUXKD-WBVHZDCISA-N 2 0 293.499 2.569 20 0 CFADRP CSC[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925096228 648105172 /nfs/dbraw/zinc/10/51/72/648105172.db2.gz NZJNEQVAKRLDJP-ZDUSSCGKSA-N 2 0 258.475 2.838 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000925146029 648116550 /nfs/dbraw/zinc/11/65/50/648116550.db2.gz CRGFCKGOYIEGPU-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1cn2c(n1)CCCC2 ZINC000925167498 648122019 /nfs/dbraw/zinc/12/20/19/648122019.db2.gz CRIHLIJPSUCLGM-ZIAGYGMSSA-N 2 0 299.422 2.644 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@@H](C)C1 ZINC000925167389 648122303 /nfs/dbraw/zinc/12/23/03/648122303.db2.gz CCGIFIGMNIHROS-MNFFZHCASA-N 2 0 268.470 2.733 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(C[NH+](C)C)c1 ZINC000925186684 648126010 /nfs/dbraw/zinc/12/60/10/648126010.db2.gz ZVBGLEHCUHRZOO-CQSZACIVSA-N 2 0 278.440 2.807 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000925195157 648129121 /nfs/dbraw/zinc/12/91/21/648129121.db2.gz GUZIQJSHXQOGHH-GJZGRUSLSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO[C@H]1C ZINC000925207091 648131600 /nfs/dbraw/zinc/13/16/00/648131600.db2.gz ODCBWMIXFHRBLA-GRDNDAEWSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)[C@@H]1C ZINC000925230603 648137539 /nfs/dbraw/zinc/13/75/39/648137539.db2.gz YSWQOUVZEIHJCG-CWHQUEMWSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925233369 648138644 /nfs/dbraw/zinc/13/86/44/648138644.db2.gz UMQRDHUZFRUJPM-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@H](O)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925458826 648174193 /nfs/dbraw/zinc/17/41/93/648174193.db2.gz HMNOGSLNKJNPIY-PBHICJAKSA-N 2 0 278.440 2.950 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925474558 648178536 /nfs/dbraw/zinc/17/85/36/648178536.db2.gz CKEFKXWXHPLKOG-OAGGEKHMSA-N 2 0 258.409 2.867 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCc2ccc(F)cc2)C[C@@H]([NH3+])C1 ZINC000925489088 648181874 /nfs/dbraw/zinc/18/18/74/648181874.db2.gz NFOCFQDOBGCDKM-CABCVRRESA-N 2 0 264.388 2.864 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925495210 648183468 /nfs/dbraw/zinc/18/34/68/648183468.db2.gz PZUAEBQQQNGKIJ-NUEKZKHPSA-N 2 0 274.408 2.622 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccccc1CO)c1ccccc1 ZINC000925501679 648186693 /nfs/dbraw/zinc/18/66/93/648186693.db2.gz CPZVBWMJHJBHKZ-SFHVURJKSA-N 2 0 284.403 2.749 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925504762 648187371 /nfs/dbraw/zinc/18/73/71/648187371.db2.gz MRYUIJHUPSKOEE-FXUDXRNXSA-N 2 0 281.488 2.602 20 0 CFADRP c1ccc(NCCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925505294 648188697 /nfs/dbraw/zinc/18/86/97/648188697.db2.gz QHHJWXREGNHTRD-INIZCTEOSA-N 2 0 273.424 2.753 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCNc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925506342 648188744 /nfs/dbraw/zinc/18/87/44/648188744.db2.gz WAGMQLKJPHIMIE-ZBFHGGJFSA-N 2 0 275.440 2.984 20 0 CFADRP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925507214 648189788 /nfs/dbraw/zinc/18/97/88/648189788.db2.gz UOGMDWOIBWCFAR-ROUUACIJSA-N 2 0 299.462 2.525 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925507720 648189914 /nfs/dbraw/zinc/18/99/14/648189914.db2.gz CHSQKCZTXGRBTB-QMEMDYBXSA-N 2 0 270.420 2.685 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925508372 648190682 /nfs/dbraw/zinc/19/06/82/648190682.db2.gz FYKLXICERWKXPW-GVDBMIGSSA-N 2 0 289.467 2.785 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cnc2ccccc21 ZINC000925512020 648192713 /nfs/dbraw/zinc/19/27/13/648192713.db2.gz YOCKPPINSQKNGN-FLOBVVSRSA-N 2 0 298.434 2.532 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC(C2CC2)C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925516381 648194658 /nfs/dbraw/zinc/19/46/58/648194658.db2.gz SJWISPLOICJOQI-KBMXLJTQSA-N 2 0 262.441 2.789 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOc1ccc(F)cc1 ZINC000925519220 648196172 /nfs/dbraw/zinc/19/61/72/648196172.db2.gz TZQCHCLNQUYNMM-IHXNAJNRSA-N 2 0 292.398 2.700 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCC2 ZINC000925520157 648196295 /nfs/dbraw/zinc/19/62/95/648196295.db2.gz QUYGSMIWJXORKA-QZTJIDSGSA-N 3 0 299.462 2.642 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2cccc(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925519321 648196554 /nfs/dbraw/zinc/19/65/54/648196554.db2.gz MFZYKOTZQGPBME-OWCLPIDISA-N 2 0 276.399 2.734 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925520644 648197070 /nfs/dbraw/zinc/19/70/70/648197070.db2.gz MJDQYCUYJDJPLK-JKSUJKDBSA-N 2 0 288.435 2.832 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925521014 648197190 /nfs/dbraw/zinc/19/71/90/648197190.db2.gz WWOFHSLEZCKJNQ-PBNICFCESA-N 2 0 282.431 2.693 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925521559 648197370 /nfs/dbraw/zinc/19/73/70/648197370.db2.gz VOGRQKIENIFQAX-ZIAGYGMSSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925521492 648197425 /nfs/dbraw/zinc/19/74/25/648197425.db2.gz CVBSMAVUMQRWKR-VNQPRFMTSA-N 2 0 274.408 2.622 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)C12CCC2 ZINC000925520439 648197434 /nfs/dbraw/zinc/19/74/34/648197434.db2.gz VQBOYOKEFYWDEI-USXIJHARSA-N 2 0 270.420 2.966 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)c[nH]c21 ZINC000925521033 648197488 /nfs/dbraw/zinc/19/74/88/648197488.db2.gz ILWXXPBIPATOPL-HOTGVXAUSA-N 2 0 283.419 2.878 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)C(C)(C)C ZINC000925525946 648200547 /nfs/dbraw/zinc/20/05/47/648200547.db2.gz GPYSOEOSTREBNC-OWCLPIDISA-N 2 0 282.472 2.805 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC000925528319 648201793 /nfs/dbraw/zinc/20/17/93/648201793.db2.gz DLUSUPZFFWWDOP-HOTGVXAUSA-N 2 0 276.424 2.699 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCCOC2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925532307 648203442 /nfs/dbraw/zinc/20/34/42/648203442.db2.gz QNEUYMCAABKCJG-PMPSAXMXSA-N 2 0 280.456 2.702 20 0 CFADRP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+][C@@H]2CCCSC2)C1 ZINC000925531678 648203483 /nfs/dbraw/zinc/20/34/83/648203483.db2.gz SGRFCITUYGMLPR-ILXRZTDVSA-N 2 0 268.470 2.640 20 0 CFADRP c1ccc(C2(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CCC2)cc1 ZINC000925532769 648203500 /nfs/dbraw/zinc/20/35/00/648203500.db2.gz HZVHSHOYTHHDRB-KVDVXYDOSA-N 2 0 282.431 2.694 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000925537112 648205344 /nfs/dbraw/zinc/20/53/44/648205344.db2.gz JCLCFKDBTCVSDE-JHXCCQHYSA-N 2 0 299.462 2.618 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCCC1 ZINC000925535718 648205738 /nfs/dbraw/zinc/20/57/38/648205738.db2.gz JVPQCCGTZQRNQR-GVDBMIGSSA-N 2 0 293.499 2.747 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925538086 648206505 /nfs/dbraw/zinc/20/65/05/648206505.db2.gz QTBBUXPYRLOIHK-QZTJIDSGSA-N 2 0 287.451 2.856 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925539402 648207002 /nfs/dbraw/zinc/20/70/02/648207002.db2.gz WIOGFGCICVQRJZ-SJORKVTESA-N 2 0 288.435 2.876 20 0 CFADRP CCc1noc(CC)c1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925540814 648207682 /nfs/dbraw/zinc/20/76/82/648207682.db2.gz RBTJWSCLKXLDSE-VXGBXAGGSA-N 2 0 279.428 2.795 20 0 CFADRP CC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(F)c1 ZINC000925542143 648208425 /nfs/dbraw/zinc/20/84/25/648208425.db2.gz NOJPGZPVZJUEEU-KBMXLJTQSA-N 2 0 292.398 2.843 20 0 CFADRP CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925540385 648208469 /nfs/dbraw/zinc/20/84/69/648208469.db2.gz BZSSAMJNWHIKNS-REWJHTLYSA-N 2 0 268.470 2.910 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)c1ccsc1 ZINC000925546561 648211358 /nfs/dbraw/zinc/21/13/58/648211358.db2.gz ORAZTYREYKFHIU-LSDHHAIUSA-N 2 0 295.496 2.861 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548143 648211385 /nfs/dbraw/zinc/21/13/85/648211385.db2.gz RDMGDFFFIOGRSE-HOCLYGCPSA-N 2 0 289.423 2.641 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925554039 648213690 /nfs/dbraw/zinc/21/36/90/648213690.db2.gz VHWUQCXYDXDWKP-IAGOWNOFSA-N 3 0 293.499 2.905 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925554295 648214362 /nfs/dbraw/zinc/21/43/62/648214362.db2.gz XPLOYLTWPREONX-PMPSAXMXSA-N 3 0 279.472 2.501 20 0 CFADRP Cc1noc(C)c1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925563518 648218501 /nfs/dbraw/zinc/21/85/01/648218501.db2.gz COYQPGDONHODNW-INIZCTEOSA-N 2 0 273.380 2.861 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)sc1C ZINC000925562464 648218864 /nfs/dbraw/zinc/21/88/64/648218864.db2.gz WYELEOCPQXJBHV-QWHCGFSZSA-N 2 0 281.469 2.798 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC1CC1 ZINC000925568717 648219978 /nfs/dbraw/zinc/21/99/78/648219978.db2.gz LGRGZIHHPZSZCT-JKSUJKDBSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCc2ccccc2OC2CCC2)C12CCC2 ZINC000925568362 648221671 /nfs/dbraw/zinc/22/16/71/648221671.db2.gz KDYKAMZFOOIZKX-DLBZAZTESA-N 2 0 286.419 2.977 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C12CCC2 ZINC000925569586 648222051 /nfs/dbraw/zinc/22/20/51/648222051.db2.gz GZOOAOPLGZHTCR-BBWFWOEESA-N 2 0 270.420 2.867 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925578037 648225785 /nfs/dbraw/zinc/22/57/85/648225785.db2.gz YYHIMNBENRNFKM-UHDSXZAQSA-N 2 0 294.483 2.804 20 0 CFADRP CC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCC1 ZINC000925581344 648226901 /nfs/dbraw/zinc/22/69/01/648226901.db2.gz XKWMJNBLFDZOGY-GJZGRUSLSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C12CCC2 ZINC000925584839 648227434 /nfs/dbraw/zinc/22/74/34/648227434.db2.gz DRYSPOMOLGVMQQ-RRFJBIMHSA-N 2 0 260.356 2.673 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2cccc(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925583084 648227568 /nfs/dbraw/zinc/22/75/68/648227568.db2.gz DFOVJASYUOJXBN-OWCLPIDISA-N 2 0 292.398 2.571 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925586599 648228026 /nfs/dbraw/zinc/22/80/26/648228026.db2.gz ZWVYCQIZEIZKDL-CVEARBPZSA-N 2 0 258.409 2.705 20 0 CFADRP C1CCC([C@H]2C[NH2+]CC[C@H]2[NH2+]C2CCSCC2)C1 ZINC000925589635 648230510 /nfs/dbraw/zinc/23/05/10/648230510.db2.gz AITZQZKNRJFEQN-HUUCEWRRSA-N 2 0 268.470 2.640 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)C1 ZINC000925592239 648230543 /nfs/dbraw/zinc/23/05/43/648230543.db2.gz GVPJBENVEFCSMV-NWDGAFQWSA-N 2 0 298.377 2.839 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925604664 648236081 /nfs/dbraw/zinc/23/60/81/648236081.db2.gz MRAOAFREHCBDHC-QPSCCSFWSA-N 2 0 268.445 2.543 20 0 CFADRP C[C@](O)(C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925612120 648239101 /nfs/dbraw/zinc/23/91/01/648239101.db2.gz QJYYOZQDQDHAJS-OALUTQOASA-N 2 0 298.430 2.964 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925621635 648243833 /nfs/dbraw/zinc/24/38/33/648243833.db2.gz FUDVSWWWELIXKP-LZWOXQAQSA-N 2 0 270.461 2.669 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1cccc(F)c1 ZINC000925621287 648244114 /nfs/dbraw/zinc/24/41/14/648244114.db2.gz ZXCRXXAUVPDGOP-DANNLKNASA-N 2 0 294.414 2.743 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC2(CCO)CCCCC2)C[C@@H]([NH3+])C1 ZINC000925622769 648244990 /nfs/dbraw/zinc/24/49/90/648244990.db2.gz MXTAZIGCYCJDJR-CABCVRRESA-N 2 0 282.472 2.815 20 0 CFADRP CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925622669 648245018 /nfs/dbraw/zinc/24/50/18/648245018.db2.gz MIQTXOPYQVSUGU-JYYAWHABSA-N 2 0 282.472 2.540 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cs1 ZINC000925625394 648246430 /nfs/dbraw/zinc/24/64/30/648246430.db2.gz DTSZJSQNVRNULP-CHWSQXEVSA-N 2 0 293.480 2.843 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1 ZINC000925628068 648247332 /nfs/dbraw/zinc/24/73/32/648247332.db2.gz YBRVOLQDXWZGKJ-JKSUJKDBSA-N 2 0 280.456 2.561 20 0 CFADRP c1ccc2c(c1)CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925629658 648248930 /nfs/dbraw/zinc/24/89/30/648248930.db2.gz LZBJXSRUOCBLLC-RHSMWYFYSA-N 2 0 270.420 2.666 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)C12CCC2 ZINC000925629405 648249083 /nfs/dbraw/zinc/24/90/83/648249083.db2.gz LSZLNRWRADAKKK-CABCVRRESA-N 2 0 292.373 2.856 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC(F)(F)CC1 ZINC000925629999 648249147 /nfs/dbraw/zinc/24/91/47/648249147.db2.gz PDVHJVJPLLAEGB-UYVFGJEYSA-N 2 0 258.356 2.670 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925634113 648252286 /nfs/dbraw/zinc/25/22/86/648252286.db2.gz LLKVZGNWRPNBSP-XJKSGUPXSA-N 2 0 261.413 2.609 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(F)c(F)c1F ZINC000925637079 648254582 /nfs/dbraw/zinc/25/45/82/648254582.db2.gz HUKZNOPGHGUEQH-FVGKDHOHSA-N 2 0 298.352 2.752 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCCS1 ZINC000925636609 648254984 /nfs/dbraw/zinc/25/49/84/648254984.db2.gz YRICPPOREZAQHW-STQMWFEESA-N 2 0 254.443 2.536 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925636664 648255277 /nfs/dbraw/zinc/25/52/77/648255277.db2.gz ZQVWPVLEQXEYDJ-RFQIPJPRSA-N 2 0 268.470 2.638 20 0 CFADRP Cc1oc2ccccc2c1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925639295 648255876 /nfs/dbraw/zinc/25/58/76/648255876.db2.gz KOEUSWIOBKSESE-PQYPPTLTSA-N 2 0 296.414 2.870 20 0 CFADRP CSCc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925643577 648258267 /nfs/dbraw/zinc/25/82/67/648258267.db2.gz FYBJUSPJNJJXRH-GJZGRUSLSA-N 2 0 276.449 2.909 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccccc1 ZINC000925643536 648258509 /nfs/dbraw/zinc/25/85/09/648258509.db2.gz WMOQOYOGUIRZRU-RTBURBONSA-N 2 0 298.430 2.660 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925647837 648259954 /nfs/dbraw/zinc/25/99/54/648259954.db2.gz IOJCNXRELQOMDH-JWRYVHENSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646278 648259979 /nfs/dbraw/zinc/25/99/79/648259979.db2.gz XPEBYGQQOONJHN-HBNTYKKESA-N 2 0 264.335 2.823 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000925653167 648262424 /nfs/dbraw/zinc/26/24/24/648262424.db2.gz WPEUZWNYXMBLOU-ZDUSSCGKSA-N 2 0 254.324 2.854 20 0 CFADRP CC1(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925653260 648262734 /nfs/dbraw/zinc/26/27/34/648262734.db2.gz LFFJMTWSUNVUFN-GJZGRUSLSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)C12CCC2 ZINC000925652959 648263029 /nfs/dbraw/zinc/26/30/29/648263029.db2.gz JFMJRBIDEQYGMN-CGTJXYLNSA-N 2 0 299.462 2.763 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925656647 648264790 /nfs/dbraw/zinc/26/47/90/648264790.db2.gz ZBAKKCJJAGZNPP-JCCCHCCOSA-N 2 0 270.420 2.966 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000925655525 648265565 /nfs/dbraw/zinc/26/55/65/648265565.db2.gz VRZFAKMSIUJOOX-RDJZCZTQSA-N 2 0 287.451 2.633 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000925657528 648266528 /nfs/dbraw/zinc/26/65/28/648266528.db2.gz TXVGLPGCSVNQLO-QJPTWQEYSA-N 2 0 260.372 2.917 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCCC1 ZINC000925659038 648266667 /nfs/dbraw/zinc/26/66/67/648266667.db2.gz SIRHUCVLZKPWEA-VYDXJSESSA-N 2 0 282.472 2.813 20 0 CFADRP CCSCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925662556 648268820 /nfs/dbraw/zinc/26/88/20/648268820.db2.gz JFVOZEWFDXJNQQ-HUUCEWRRSA-N 2 0 270.486 2.888 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925664466 648269641 /nfs/dbraw/zinc/26/96/41/648269641.db2.gz FEXJMBIPXRJPPS-BRWVUGGUSA-N 2 0 290.451 2.832 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925669774 648271680 /nfs/dbraw/zinc/27/16/80/648271680.db2.gz XMELHLCDJRWHHR-JKSUJKDBSA-N 2 0 282.472 2.807 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000925672610 648273370 /nfs/dbraw/zinc/27/33/70/648273370.db2.gz IMZQPNWSUZEEEQ-SOUVJXGZSA-N 2 0 296.842 2.869 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H]1OCCc2sccc21 ZINC000925671514 648273395 /nfs/dbraw/zinc/27/33/95/648273395.db2.gz CWOVQUWPNLODHS-CJYSPXJISA-N 2 0 292.448 2.610 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C2 ZINC000925675504 648275605 /nfs/dbraw/zinc/27/56/05/648275605.db2.gz IGJLTXPWGQTUBM-HRCADAONSA-N 2 0 288.435 2.794 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925676827 648275794 /nfs/dbraw/zinc/27/57/94/648275794.db2.gz MBQQBRSVLKFNMB-RYUDHWBXSA-N 2 0 265.401 2.541 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1cccs1 ZINC000925677783 648276689 /nfs/dbraw/zinc/27/66/89/648276689.db2.gz ZZOCJPXSFUCMDA-NNQSOWQGSA-N 2 0 264.438 2.611 20 0 CFADRP FC1(F)CC(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925685213 648279510 /nfs/dbraw/zinc/27/95/10/648279510.db2.gz KXAMFIDHINOUAU-LBPRGKRZSA-N 2 0 258.356 2.686 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[C@@H](C)O1 ZINC000925695562 648283436 /nfs/dbraw/zinc/28/34/36/648283436.db2.gz IBRIXFIWDIHHHC-LYHPXFHOSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)O1 ZINC000925696882 648284378 /nfs/dbraw/zinc/28/43/78/648284378.db2.gz VAZRPJFKZOPADW-KBMXLJTQSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCCc3cc(N)ccc31)[NH2+]2 ZINC000925700789 648285321 /nfs/dbraw/zinc/28/53/21/648285321.db2.gz WLPPCYYCBJJVGR-UVPACWLJSA-N 2 0 285.435 2.765 20 0 CFADRP CC1(C)[C@@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925698650 648285647 /nfs/dbraw/zinc/28/56/47/648285647.db2.gz GMZKWSGOSMBWCK-NJAFHUGGSA-N 2 0 299.462 2.911 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCCCCCO)CC1 ZINC000925701307 648286122 /nfs/dbraw/zinc/28/61/22/648286122.db2.gz XIHOORBXHUWGSN-UHFFFAOYSA-N 2 0 270.461 2.639 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000925703206 648286617 /nfs/dbraw/zinc/28/66/17/648286617.db2.gz CFBSLPWBKNHFBC-AEFFLSMTSA-N 2 0 285.435 2.644 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925704637 648287353 /nfs/dbraw/zinc/28/73/53/648287353.db2.gz ZIOISHRCCFPDTF-ZTFGCOKTSA-N 2 0 288.435 2.701 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000925704117 648287409 /nfs/dbraw/zinc/28/74/09/648287409.db2.gz HXQIFSIGRDKIPL-YOEHRIQHSA-N 2 0 276.424 2.968 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)C1 ZINC000925704743 648287864 /nfs/dbraw/zinc/28/78/64/648287864.db2.gz DVRPUZAMDBTCAL-FMKPAKJESA-N 2 0 273.424 2.752 20 0 CFADRP FC1(F)CC12CCC([NH2+][C@@H]1[C@H]3C[C@H]4C[NH2+][C@H]1[C@H]4C3)CC2 ZINC000925706493 648288978 /nfs/dbraw/zinc/28/89/78/648288978.db2.gz KAUKSPDSKDDQLK-XEPAHGNOSA-N 2 0 282.378 2.540 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925708704 648289284 /nfs/dbraw/zinc/28/92/84/648289284.db2.gz RRUMQJCOGHHKSK-YESZJQIVSA-N 2 0 293.499 2.617 20 0 CFADRP CC(C)(F)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925708369 648289873 /nfs/dbraw/zinc/28/98/73/648289873.db2.gz LHXHDVLUPNCNLD-KBPBESRZSA-N 2 0 256.409 2.883 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925709740 648290621 /nfs/dbraw/zinc/29/06/21/648290621.db2.gz VICJABDFTGTROV-JYJNAYRXSA-N 2 0 281.488 2.602 20 0 CFADRP CO[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCC1 ZINC000925715322 648293887 /nfs/dbraw/zinc/29/38/87/648293887.db2.gz GPTABBJHVZUEIP-WCVJEAGWSA-N 2 0 280.456 2.558 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CCCC1 ZINC000925716892 648295981 /nfs/dbraw/zinc/29/59/81/648295981.db2.gz RSKZXMCCAAYFAW-RCCFBDPRSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000925721125 648296893 /nfs/dbraw/zinc/29/68/93/648296893.db2.gz AHISPUVWJJPIDU-QSFKDOLUSA-N 2 0 292.467 2.831 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C12CCC2)C1([C@H]2CCCCO2)CCC1 ZINC000925723243 648297616 /nfs/dbraw/zinc/29/76/16/648297616.db2.gz SQZCZNFQWKKEHX-LSDHHAIUSA-N 2 0 278.440 2.600 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000925725207 648298791 /nfs/dbraw/zinc/29/87/91/648298791.db2.gz RUFOOJZXGJKOPC-AUUYWEPGSA-N 2 0 295.430 2.510 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CNc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925725253 648299376 /nfs/dbraw/zinc/29/93/76/648299376.db2.gz IEPOCCIMNZIODK-UNQWWWNPSA-N 2 0 299.462 2.952 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C12CCC2 ZINC000925728143 648299842 /nfs/dbraw/zinc/29/98/42/648299842.db2.gz JIMWLJLLPAVDIM-CABCVRRESA-N 2 0 255.365 2.527 20 0 CFADRP CCSc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000925731495 648301105 /nfs/dbraw/zinc/30/11/05/648301105.db2.gz LDKWWVGCCWOFSP-DAXOMENPSA-N 2 0 294.464 2.641 20 0 CFADRP CCC[C@@H](C)CC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925733393 648302023 /nfs/dbraw/zinc/30/20/23/648302023.db2.gz ICLAAEAYAAASKZ-CABCVRRESA-N 2 0 298.471 2.724 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc3oc(=O)[nH]c3c2)C1 ZINC000925731781 648302508 /nfs/dbraw/zinc/30/25/08/648302508.db2.gz UZUUWKBRDHPNLV-RYUDHWBXSA-N 2 0 289.379 2.529 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccnn1-c1ccccc1 ZINC000925738605 648304108 /nfs/dbraw/zinc/30/41/08/648304108.db2.gz QTSFVBPDBJZKKH-ZDUSSCGKSA-N 2 0 272.396 2.650 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925739651 648305347 /nfs/dbraw/zinc/30/53/47/648305347.db2.gz BUVKMNRQFRUWAQ-CQSZACIVSA-N 2 0 262.397 2.926 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000925757452 648310121 /nfs/dbraw/zinc/31/01/21/648310121.db2.gz HBNHHHSTFQZBJB-CYBMUJFWSA-N 2 0 289.423 2.909 20 0 CFADRP CCC1([NH3+])CCN([C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925760092 648311529 /nfs/dbraw/zinc/31/15/29/648311529.db2.gz JPNGHFFEPNRFMW-ARFHVFGLSA-N 2 0 279.472 2.501 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000925759647 648311641 /nfs/dbraw/zinc/31/16/41/648311641.db2.gz QHLJBENOJQABJU-AWEZNQCLSA-N 2 0 299.422 2.532 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)C2CCSCC2)CC1 ZINC000925761245 648311645 /nfs/dbraw/zinc/31/16/45/648311645.db2.gz XSLNQHYNOXXEAA-LBPRGKRZSA-N 2 0 256.459 2.721 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(Cl)n1 ZINC000925764065 648312702 /nfs/dbraw/zinc/31/27/02/648312702.db2.gz FXQHUVCHIZYQIZ-IACUBPJLSA-N 2 0 279.815 2.521 20 0 CFADRP [NH3+][C@H]1C[C@H](NCc2cscc2Cl)C12CCC2 ZINC000925772395 648315690 /nfs/dbraw/zinc/31/56/90/648315690.db2.gz SNHKOHAIQPYNAB-QWRGUYRKSA-N 2 0 256.802 2.761 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cc(C2CC2)no1 ZINC000925772794 648316070 /nfs/dbraw/zinc/31/60/70/648316070.db2.gz WRBUFPSOUFDPDV-JTQLQIEISA-N 2 0 286.379 2.565 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925773453 648317074 /nfs/dbraw/zinc/31/70/74/648317074.db2.gz NSYSMLDMPPDWBQ-IZNMMPHHSA-N 2 0 262.441 2.645 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000925779521 648320013 /nfs/dbraw/zinc/32/00/13/648320013.db2.gz OLBWOKRBNYYEBC-WDEREUQCSA-N 2 0 274.380 2.952 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000925779517 648320514 /nfs/dbraw/zinc/32/05/14/648320514.db2.gz OLBWOKRBNYYEBC-MNOVXSKESA-N 2 0 274.380 2.952 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925784446 648322333 /nfs/dbraw/zinc/32/23/33/648322333.db2.gz ROCZIBWFNDVRCD-QWRGUYRKSA-N 2 0 280.428 2.741 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925790833 648323902 /nfs/dbraw/zinc/32/39/02/648323902.db2.gz LAQQQPRKEGPJHV-HACGYAERSA-N 2 0 274.408 2.518 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799925 648327423 /nfs/dbraw/zinc/32/74/23/648327423.db2.gz PNVGOEWAGOITHV-FRFSOERESA-N 2 0 258.409 2.818 20 0 CFADRP c1ccc(C2(CC[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000925804314 648327910 /nfs/dbraw/zinc/32/79/10/648327910.db2.gz GREVIDCEXINAMO-INIZCTEOSA-N 2 0 258.409 2.840 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000925803582 648327963 /nfs/dbraw/zinc/32/79/63/648327963.db2.gz ROPQWJHUUNQCFA-FVQBIDKESA-N 2 0 290.455 2.866 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803516 648327967 /nfs/dbraw/zinc/32/79/67/648327967.db2.gz QMPWIIBKGJLVRM-LALPHHSUSA-N 2 0 292.398 2.657 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)oc1C ZINC000925802806 648328362 /nfs/dbraw/zinc/32/83/62/648328362.db2.gz JIULUPTTYAIXSD-YRGRVCCFSA-N 2 0 250.386 2.793 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000925804001 648328402 /nfs/dbraw/zinc/32/84/02/648328402.db2.gz XOIKUNXGNZAICS-FRFSOERESA-N 2 0 273.424 2.758 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000925808689 648329867 /nfs/dbraw/zinc/32/98/67/648329867.db2.gz CYOPZQUKFQOZIK-MRXNPFEDSA-N 2 0 295.858 2.804 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccc2c1CCCC2 ZINC000925808598 648330140 /nfs/dbraw/zinc/33/01/40/648330140.db2.gz ZBVXUEDHNSJPSK-GOEBONIOSA-N 2 0 273.424 2.568 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808384 648330293 /nfs/dbraw/zinc/33/02/93/648330293.db2.gz NHUHBIBEHPWWAH-DLBZAZTESA-N 3 0 281.488 2.654 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809461 648331031 /nfs/dbraw/zinc/33/10/31/648331031.db2.gz VSEZJQUUBSNIDQ-UONOGXRCSA-N 2 0 256.434 2.559 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)C(C)(C)C ZINC000925817172 648332943 /nfs/dbraw/zinc/33/29/43/648332943.db2.gz OAXNKCJTMVJHHY-INIZCTEOSA-N 2 0 283.504 2.850 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925831174 648336577 /nfs/dbraw/zinc/33/65/77/648336577.db2.gz IRJXDVLNGIQOQF-MWDXBVQZSA-N 2 0 280.456 2.846 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2cnc3ccccc3c2)C1 ZINC000925834325 648337821 /nfs/dbraw/zinc/33/78/21/648337821.db2.gz VSNBREGNHVTXAN-HZPDHXFCSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)C1CCSCC1 ZINC000925836651 648339460 /nfs/dbraw/zinc/33/94/60/648339460.db2.gz CHIKSMOPBUCPPH-BPLDGKMQSA-N 2 0 268.470 2.640 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000925839556 648340444 /nfs/dbraw/zinc/34/04/44/648340444.db2.gz RIZSTCLXBXMULK-DOMZBBRYSA-N 2 0 287.407 2.656 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)o1 ZINC000925839560 648340495 /nfs/dbraw/zinc/34/04/95/648340495.db2.gz RIZSTCLXBXMULK-WFASDCNBSA-N 2 0 287.407 2.656 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C12CCC2 ZINC000925841261 648341394 /nfs/dbraw/zinc/34/13/94/648341394.db2.gz ZZGLKCVBQYGFIA-CBBWQLFWSA-N 2 0 292.373 2.895 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C12CCC2 ZINC000925841262 648341617 /nfs/dbraw/zinc/34/16/17/648341617.db2.gz ZZGLKCVBQYGFIA-KBUPBQIOSA-N 2 0 292.373 2.895 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848201 648343734 /nfs/dbraw/zinc/34/37/34/648343734.db2.gz CHTSXIKAXPTCNG-KRWDZBQOSA-N 2 0 289.467 2.721 20 0 CFADRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(F)c1 ZINC000925851323 648345356 /nfs/dbraw/zinc/34/53/56/648345356.db2.gz XJVNSZDMXRRZSD-HNNXBMFYSA-N 2 0 293.430 2.552 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1 ZINC000925872127 648351366 /nfs/dbraw/zinc/35/13/66/648351366.db2.gz PWOAWOBZGWPFOB-RRFJBIMHSA-N 2 0 273.424 2.955 20 0 CFADRP Cn1nc(C2CC2)cc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925874326 648351920 /nfs/dbraw/zinc/35/19/20/648351920.db2.gz RBMYAKSSMKQWTM-NVXWUHKLSA-N 2 0 282.391 2.532 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925879645 648353992 /nfs/dbraw/zinc/35/39/92/648353992.db2.gz BFEUSJRVAVLSJG-KURKYZTESA-N 2 0 288.435 2.940 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000925879497 648354014 /nfs/dbraw/zinc/35/40/14/648354014.db2.gz GANORPDOCDSUSU-MKPLZMMCSA-N 2 0 284.325 2.808 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000925882474 648354375 /nfs/dbraw/zinc/35/43/75/648354375.db2.gz MYOJUSFHGDNVDR-ISOBSLSZSA-N 2 0 266.335 2.669 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887850 648356242 /nfs/dbraw/zinc/35/62/42/648356242.db2.gz NYBQYKUIMQCAGE-KURKYZTESA-N 2 0 290.451 2.696 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccoc1 ZINC000925888274 648357179 /nfs/dbraw/zinc/35/71/79/648357179.db2.gz SJICSUKKQQTEEO-RRQGHBQHSA-N 2 0 270.376 2.989 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000925893905 648358118 /nfs/dbraw/zinc/35/81/18/648358118.db2.gz SALHHURFHFYZHQ-XJKSGUPXSA-N 2 0 289.423 2.601 20 0 CFADRP CSC1CC([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000926275830 648453308 /nfs/dbraw/zinc/45/33/08/648453308.db2.gz QZHROVZISCRYOW-UHFFFAOYSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1oc2ccccc2c1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000926255146 648449021 /nfs/dbraw/zinc/44/90/21/648449021.db2.gz PPHBXHOSNCLDHY-CYBMUJFWSA-N 2 0 290.407 2.970 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926257384 648449703 /nfs/dbraw/zinc/44/97/03/648449703.db2.gz DLSZCAQQGPCBBP-ZQIUZPCESA-N 2 0 276.424 2.560 20 0 CFADRP CC(C)(C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000926276315 648453247 /nfs/dbraw/zinc/45/32/47/648453247.db2.gz VZGWIBIUWKIKNK-IAGOWNOFSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]CCCCCO)c1cccc(C[NH+](C)C)c1 ZINC000926328580 648463393 /nfs/dbraw/zinc/46/33/93/648463393.db2.gz RDZZMGTXVYGEMO-AWEZNQCLSA-N 2 0 264.413 2.561 20 0 CFADRP OCCC[C@H]1CCCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926338226 648466295 /nfs/dbraw/zinc/46/62/95/648466295.db2.gz XIFYDLSOOUPBAP-AQEOSJORSA-N 2 0 294.483 2.924 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000926359950 648471261 /nfs/dbraw/zinc/47/12/61/648471261.db2.gz DZPJWIAIDDGDKJ-ICIURTGMSA-N 2 0 272.383 2.742 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000926409412 648479405 /nfs/dbraw/zinc/47/94/05/648479405.db2.gz XBZOPJMHRMYQPK-ZFWWWQNUSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926456568 648495487 /nfs/dbraw/zinc/49/54/87/648495487.db2.gz JLANCAOSSAULLY-KSSFIOAISA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926517191 648517021 /nfs/dbraw/zinc/51/70/21/648517021.db2.gz WUBVVDLHPXIHLE-KGLIPLIRSA-N 2 0 278.440 2.948 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCOC12CCCCC2)C1CC1 ZINC000926557743 648533240 /nfs/dbraw/zinc/53/32/40/648533240.db2.gz DTKZNZDEXONVSS-MRXNPFEDSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cnn(C2CCC2)c1 ZINC000926571708 648537825 /nfs/dbraw/zinc/53/78/25/648537825.db2.gz AOYVVONUZXPLSX-GJZGRUSLSA-N 2 0 290.455 2.991 20 0 CFADRP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926572615 648537849 /nfs/dbraw/zinc/53/78/49/648537849.db2.gz NGGSODKRSJFPSB-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)[C@@H](O)C(C)C ZINC000926590003 648544114 /nfs/dbraw/zinc/54/41/14/648544114.db2.gz WYYJAZPATLPZEV-IRXDYDNUSA-N 2 0 284.488 2.882 20 0 CFADRP COc1ccnc([C@H](C)NCCC[N@H+](C)CC(C)C)c1 ZINC000926643479 648559478 /nfs/dbraw/zinc/55/94/78/648559478.db2.gz AOOUIIVHEWTYIZ-AWEZNQCLSA-N 2 0 279.428 2.719 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000926736641 648596171 /nfs/dbraw/zinc/59/61/71/648596171.db2.gz ALINGZIOSGXZGX-BZSNNMDCSA-N 2 0 294.483 2.759 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CC(F)(F)F ZINC000926735605 648596585 /nfs/dbraw/zinc/59/65/85/648596585.db2.gz VMJFTOHGCMNTCE-FOSCPWQOSA-N 2 0 278.362 2.895 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000926744316 648599149 /nfs/dbraw/zinc/59/91/49/648599149.db2.gz IFXWMPIPDHGTGP-HDEZJCGLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000926744318 648599457 /nfs/dbraw/zinc/59/94/57/648599457.db2.gz IFXWMPIPDHGTGP-WTTBNOFXSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1nonc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000926790879 648617289 /nfs/dbraw/zinc/61/72/89/648617289.db2.gz MZWCJMYWAHCJGQ-LBPRGKRZSA-N 2 0 280.416 2.539 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000926792065 648618115 /nfs/dbraw/zinc/61/81/15/648618115.db2.gz XAZIETMYUGTYBZ-CQSZACIVSA-N 2 0 291.439 2.948 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000926792023 648618223 /nfs/dbraw/zinc/61/82/23/648618223.db2.gz VIVLDOQTXAJXNX-YCPHGPKFSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1 ZINC000926794996 648619118 /nfs/dbraw/zinc/61/91/18/648619118.db2.gz CWTKYPVGHDHKDJ-HLIUYOAVSA-N 2 0 293.459 2.773 20 0 CFADRP C([NH2+][C@H]1CCCN2CCCC[C@H]12)[C@@H]1CCC2(CCC2)O1 ZINC000926859538 648636382 /nfs/dbraw/zinc/63/63/82/648636382.db2.gz HVMNVNMPGWHMNX-HRCADAONSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCS1 ZINC000927029916 648688508 /nfs/dbraw/zinc/68/85/08/648688508.db2.gz QXLOKBSJGYHOLD-RYPNDVFKSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCO1 ZINC000927037204 648689591 /nfs/dbraw/zinc/68/95/91/648689591.db2.gz LXRLQVVNECEPJL-UIDBIOKJSA-N 2 0 266.429 2.551 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@H]2CCC[C@H]21 ZINC000927089472 648706933 /nfs/dbraw/zinc/70/69/33/648706933.db2.gz BKPCPDRCUGXVKC-IXDOHACOSA-N 2 0 286.419 2.584 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C/C=C(\C)COC)CC1 ZINC000929278393 649021483 /nfs/dbraw/zinc/02/14/83/649021483.db2.gz XUDAIGCUZUCOQX-VIZOYTHASA-N 2 0 268.445 2.633 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000929428613 649047746 /nfs/dbraw/zinc/04/77/46/649047746.db2.gz SYDZVQPMLAIHLC-FJIDUMEYSA-N 2 0 293.499 2.523 20 0 CFADRP C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000929699345 649099976 /nfs/dbraw/zinc/09/99/76/649099976.db2.gz LPOJHPPAANIIBI-YIYPIFLZSA-N 2 0 272.383 2.551 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C[C@H](C)O1 ZINC000929849102 649138761 /nfs/dbraw/zinc/13/87/61/649138761.db2.gz WDSLXRROJLAZCC-JZAWBGDQSA-N 2 0 280.456 2.606 20 0 CFADRP Cc1cc(C)nc(CN2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000929969549 649157256 /nfs/dbraw/zinc/15/72/56/649157256.db2.gz MWRAOTCVWOHKPQ-HNNXBMFYSA-N 2 0 261.413 2.661 20 0 CFADRP COC/C(C)=C/C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000930117688 649188249 /nfs/dbraw/zinc/18/82/49/649188249.db2.gz VAJNRBBBIHQJFX-XNTDXEJSSA-N 2 0 276.424 2.773 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCC4(CCC4)O3)C2)C1 ZINC000930576998 649279048 /nfs/dbraw/zinc/27/90/48/649279048.db2.gz OSGOBLJGUIHZEG-DLBZAZTESA-N 2 0 292.467 2.896 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)C1 ZINC000930577099 649279261 /nfs/dbraw/zinc/27/92/61/649279261.db2.gz IRVSCMBZGHWSHF-XGUBFFRZSA-N 2 0 284.394 2.695 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCC3(CC3)CC2)CCO1 ZINC000931076361 649376006 /nfs/dbraw/zinc/37/60/06/649376006.db2.gz QQHWRXHFUMJLOO-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3coc(-c4ccccc4)n3)C[C@@H]2C1 ZINC000931431836 649425046 /nfs/dbraw/zinc/42/50/46/649425046.db2.gz QLUOKDNPCLHPRZ-CVEARBPZSA-N 2 0 297.402 2.725 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC000931436343 649426448 /nfs/dbraw/zinc/42/64/48/649426448.db2.gz HQQLSLFZMFBALV-OWSLCNJRSA-N 2 0 270.420 2.674 20 0 CFADRP Cc1ccc2ncc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2c1 ZINC000931441676 649428443 /nfs/dbraw/zinc/42/84/43/649428443.db2.gz MSXVJFOARJEESC-AEFFLSMTSA-N 2 0 295.430 2.927 20 0 CFADRP CC1CC(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)C1 ZINC000931468193 649435707 /nfs/dbraw/zinc/43/57/07/649435707.db2.gz UAFPBAUDCDVESH-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000931480047 649438759 /nfs/dbraw/zinc/43/87/59/649438759.db2.gz KMTHGCRWEPMHDQ-OAHLLOKOSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@@H+]2CCc3nccc(N)c3C2)C1 ZINC000931518234 649446501 /nfs/dbraw/zinc/44/65/01/649446501.db2.gz JFCLLZZLTRLQBT-QWHCGFSZSA-N 2 0 259.397 2.848 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3CF)CC[C@H]21 ZINC000931547002 649450939 /nfs/dbraw/zinc/45/09/39/649450939.db2.gz OPJZVDVKXUSCGL-HZPDHXFCSA-N 2 0 262.372 2.682 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931912922 649508838 /nfs/dbraw/zinc/50/88/38/649508838.db2.gz CBMRHPFCARUTPS-NEPJUHHUSA-N 2 0 294.336 2.837 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCSC[C@@H]1C1CC1 ZINC000933913321 649731277 /nfs/dbraw/zinc/73/12/77/649731277.db2.gz BBOOABKFOYZKDS-LSDHHAIUSA-N 2 0 268.470 2.688 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837507 649838423 /nfs/dbraw/zinc/83/84/23/649838423.db2.gz JDHPQBQTGQGPPZ-IRXDYDNUSA-N 2 0 282.472 2.857 20 0 CFADRP Cc1cc2[nH]ccc2c(N2CC3(C2)CC[N@H+](CC2CC2)C3)[nH+]1 ZINC001164772072 721290279 /nfs/dbraw/zinc/29/02/79/721290279.db2.gz DNUWWOKWYMIEAG-UHFFFAOYSA-N 2 0 296.418 2.793 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723920934 770713979 /nfs/dbraw/zinc/71/39/79/770713979.db2.gz BIDSIWMWPFLYHO-GRYCIOLGSA-N 2 0 268.351 2.943 20 0 CFADRP C[NH+](C)CC(C)(C)CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371898 778795055 /nfs/dbraw/zinc/79/50/55/778795055.db2.gz ODBORPPCULSMRZ-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP C(C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236371862 778795320 /nfs/dbraw/zinc/79/53/20/778795320.db2.gz NVQYBDOLMRFZCI-DLBZAZTESA-N 3 0 293.499 2.620 20 0 CFADRP [NH3+]Cc1cccc2ncn(C3CC[NH+](CC4CC4)CC3)c21 ZINC001168362740 778512387 /nfs/dbraw/zinc/51/23/87/778512387.db2.gz FRTNWOLNJFJAEG-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](C)C1 ZINC001235821073 778566855 /nfs/dbraw/zinc/56/68/55/778566855.db2.gz ZPYGEBBSYBGZEA-KGLIPLIRSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@@H](C)C1 ZINC001235821072 778567087 /nfs/dbraw/zinc/56/70/87/778567087.db2.gz ZPYGEBBSYBGZEA-KBPBESRZSA-N 2 0 258.409 2.953 20 0 CFADRP CCOC(=O)[C@@H]1CCCN(CCC[NH2+]C2CCCCC2)C1 ZINC001235820806 778567148 /nfs/dbraw/zinc/56/71/48/778567148.db2.gz WDCGYPKEIFDIJU-OAHLLOKOSA-N 2 0 296.455 2.574 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)C1 ZINC000692958391 769908233 /nfs/dbraw/zinc/90/82/33/769908233.db2.gz HLQVUOXXMDVIGY-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H](c3ccccc3F)C2)C1 ZINC001208606103 769909886 /nfs/dbraw/zinc/90/98/86/769909886.db2.gz CXTIMKYGHPIOQZ-CABCVRRESA-N 2 0 276.399 2.957 20 0 CFADRP C[N@@H+]1CCC[C@H](CN2CCc3ccc(F)cc3C2)C1 ZINC001208612269 769911248 /nfs/dbraw/zinc/91/12/48/769911248.db2.gz LXRUGLNIHCRHNB-ZDUSSCGKSA-N 2 0 262.372 2.526 20 0 CFADRP CCOc1cc(C)ccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206811419 770012740 /nfs/dbraw/zinc/01/27/40/770012740.db2.gz UIGBKCBMRDWSBQ-HUUCEWRRSA-N 2 0 276.424 2.953 20 0 CFADRP Cc1ccc([C@@H](C)CCN2CC[NH2+][C@@H](C)CC2)o1 ZINC001210476093 770291757 /nfs/dbraw/zinc/29/17/57/770291757.db2.gz RIRONTRILZLBRU-STQMWFEESA-N 2 0 250.386 2.765 20 0 CFADRP Cn1c[nH+]cc1Nc1c[nH+]ccc1N1CCCCC1 ZINC001211248044 770465835 /nfs/dbraw/zinc/46/58/35/770465835.db2.gz HGKYFLDEWIVFGU-UHFFFAOYSA-N 2 0 257.341 2.549 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723623435 770623517 /nfs/dbraw/zinc/62/35/17/770623517.db2.gz ZFYJEXVAXZMXSZ-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000723630328 770626299 /nfs/dbraw/zinc/62/62/99/770626299.db2.gz YXMGBZPTPFGVHZ-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000723679944 770649852 /nfs/dbraw/zinc/64/98/52/770649852.db2.gz LUIVOQYPVCKFJB-NSHDSACASA-N 2 0 277.393 2.574 20 0 CFADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723695168 770651595 /nfs/dbraw/zinc/65/15/95/770651595.db2.gz KUJBYNSBQAROHH-LBPRGKRZSA-N 2 0 291.420 2.882 20 0 CFADRP CS[C@@H]1CC[C@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C1 ZINC000707351552 770662127 /nfs/dbraw/zinc/66/21/27/770662127.db2.gz KBIUQWACCBCJRI-BFHYXJOUSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cncc3ccccc32)C[C@H]1CC[NH3+] ZINC000723882355 770705767 /nfs/dbraw/zinc/70/57/67/770705767.db2.gz HCSVBFZCWKQWGP-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP CCCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000723887869 770706796 /nfs/dbraw/zinc/70/67/96/770706796.db2.gz RNILVNZOIKCWPH-GDBMZVCRSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC[NH3+] ZINC000723895443 770708953 /nfs/dbraw/zinc/70/89/53/770708953.db2.gz WXZSZQMMQWVUDX-DGCLKSJQSA-N 2 0 252.789 2.757 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901111 770709252 /nfs/dbraw/zinc/70/92/52/770709252.db2.gz NMSDGXKLIXTVLL-FRRDWIJNSA-N 2 0 250.361 2.803 20 0 CFADRP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000723977458 770730132 /nfs/dbraw/zinc/73/01/32/770730132.db2.gz BHBSCBASXFFWAV-RRQGHBQHSA-N 2 0 280.456 2.512 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403682149 770840595 /nfs/dbraw/zinc/84/05/95/770840595.db2.gz INYOQSGYGJCSHN-AGUYFDCRSA-N 2 0 256.459 2.733 20 0 CFADRP C[NH+](C)CC(C)(C)CN1CCC([NH+]2CCCCC2)CC1 ZINC001207274953 770864114 /nfs/dbraw/zinc/86/41/14/770864114.db2.gz HYKWDGCRBIWGTK-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000690738421 770884557 /nfs/dbraw/zinc/88/45/57/770884557.db2.gz HMUWYIPDTUULHJ-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000690743378 770938777 /nfs/dbraw/zinc/93/87/77/770938777.db2.gz ZQHUOHQBKRVVHB-LBPRGKRZSA-N 2 0 283.213 2.620 20 0 CFADRP C[NH+](C)Cc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)nc1 ZINC001167625599 773196843 /nfs/dbraw/zinc/19/68/43/773196843.db2.gz MPJLRIZNJLKIHM-UHFFFAOYSA-N 2 0 290.455 2.628 20 0 CFADRP C[NH+](C)CC[C@H](O[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001224133553 775109081 /nfs/dbraw/zinc/10/90/81/775109081.db2.gz NBEROSKQBSBBEI-ROUUACIJSA-N 2 0 288.435 2.790 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)s1 ZINC000693899720 775231876 /nfs/dbraw/zinc/23/18/76/775231876.db2.gz XBNBBZAQLWVACU-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721562698 775234068 /nfs/dbraw/zinc/23/40/68/775234068.db2.gz VUBFBQYPAWJWOC-HUUCEWRRSA-N 2 0 270.461 2.902 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cscc2Br)CC1 ZINC000308858951 775244894 /nfs/dbraw/zinc/24/48/94/775244894.db2.gz OVMIPSBFKYEORO-UHFFFAOYSA-N 2 0 289.242 2.681 20 0 CFADRP C[NH+]1CCC(C2CC[NH+](Cc3cc[nH]c3)CC2)CC1 ZINC001140707257 775338525 /nfs/dbraw/zinc/33/85/25/775338525.db2.gz FSRRKXFYCPPVOU-UHFFFAOYSA-N 2 0 261.413 2.569 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001207398747 775356002 /nfs/dbraw/zinc/35/60/02/775356002.db2.gz MNDLOHYDHISTDT-CYBMUJFWSA-N 2 0 265.426 2.622 20 0 CFADRP Cc1cc(OC(F)(F)F)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167913671 775380111 /nfs/dbraw/zinc/38/01/11/775380111.db2.gz CMGAFCXGJCYLBJ-UHFFFAOYSA-N 2 0 293.314 2.932 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000721627310 775448653 /nfs/dbraw/zinc/44/86/53/775448653.db2.gz IUDJEYOJEUZZIM-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP Nc1cc[nH+]c2cc(-n3nc(C[NH3+])c4ccccc43)ccc12 ZINC001167701755 775538082 /nfs/dbraw/zinc/53/80/82/775538082.db2.gz UUBMFWQCAJAELU-UHFFFAOYSA-N 2 0 289.342 2.615 20 0 CFADRP Cc1cc(N2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001277064238 775558385 /nfs/dbraw/zinc/55/83/85/775558385.db2.gz ICBZBRANCBYQNT-INIZCTEOSA-N 2 0 259.397 2.702 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000394312760 775659338 /nfs/dbraw/zinc/65/93/38/775659338.db2.gz NGIIUGBATRCJEH-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP CC(C)OC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000695120402 775667971 /nfs/dbraw/zinc/66/79/71/775667971.db2.gz PSZOXZPCGRPSAB-UHFFFAOYSA-N 2 0 294.464 2.783 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc[nH+]c(N)c1 ZINC001226653145 775905899 /nfs/dbraw/zinc/90/58/99/775905899.db2.gz WPWSNVDAMVMLMI-PBHICJAKSA-N 2 0 297.402 2.953 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001207479792 775931726 /nfs/dbraw/zinc/93/17/26/775931726.db2.gz OCJCUYSAQWSTFI-CYBMUJFWSA-N 2 0 278.362 2.788 20 0 CFADRP COc1cc(C)c(C)cc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222552510 776171743 /nfs/dbraw/zinc/17/17/43/776171743.db2.gz FPBKIBSYRJHYQD-UHFFFAOYSA-N 2 0 280.387 2.575 20 0 CFADRP Clc1ccc([C@@H]2C[C@@H]2CN2CCC[NH2+]CC2)cc1 ZINC001204654976 776451739 /nfs/dbraw/zinc/45/17/39/776451739.db2.gz LENNVZLRLSWCHB-HIFRSBDPSA-N 2 0 264.800 2.739 20 0 CFADRP Cc1nc2cc(O[C@@H]3CC[N@@H+](C(C)C)C3)ccc2[nH]1 ZINC001228327394 776460481 /nfs/dbraw/zinc/46/04/81/776460481.db2.gz QTRLIOAQYUCVNQ-CYBMUJFWSA-N 2 0 259.353 2.733 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCCC12COC2 ZINC001167825168 776545144 /nfs/dbraw/zinc/54/51/44/776545144.db2.gz GQKSRTRIYXFXTA-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CC)CCN1CCCC1 ZINC001167825563 776546660 /nfs/dbraw/zinc/54/66/60/776546660.db2.gz KBUDCPQZNHLZST-KRWDZBQOSA-N 2 0 283.504 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC001167826578 776547673 /nfs/dbraw/zinc/54/76/73/776547673.db2.gz QOQNWSWNDUTCRC-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2cccc2C1 ZINC001167826585 776548197 /nfs/dbraw/zinc/54/81/97/776548197.db2.gz QUZZXQBDRVFKRP-HNNXBMFYSA-N 2 0 263.429 2.814 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC001167827858 776554891 /nfs/dbraw/zinc/55/48/91/776554891.db2.gz YNWCAIQQFPAQEX-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001167840396 776599241 /nfs/dbraw/zinc/59/92/41/776599241.db2.gz GCFFHQLNNYRGBW-BBWFWOEESA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)CN1C1CC1 ZINC000925806180 776606242 /nfs/dbraw/zinc/60/62/42/776606242.db2.gz BBXBJWDQHVDLBY-RDJZCZTQSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)CN1C1CC1 ZINC000925806179 776606781 /nfs/dbraw/zinc/60/67/81/776606781.db2.gz BBXBJWDQHVDLBY-NVXWUHKLSA-N 2 0 293.499 2.761 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(OC(C)C)C1 ZINC001167841797 776607781 /nfs/dbraw/zinc/60/77/81/776607781.db2.gz RDGPEEZCFPDSBQ-AWEZNQCLSA-N 2 0 256.434 2.606 20 0 CFADRP Clc1ncccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692910546 776651400 /nfs/dbraw/zinc/65/14/00/776651400.db2.gz NYYBXNKOQLIWGQ-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](Oc2ccc3c(c2)CC[NH+](C)C3)C1 ZINC001228943720 776666650 /nfs/dbraw/zinc/66/66/50/776666650.db2.gz IRNKGDIJOZEEAE-SFHVURJKSA-N 2 0 288.435 2.926 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)CC1 ZINC001207628540 776690978 /nfs/dbraw/zinc/69/09/78/776690978.db2.gz IUNREPZKCKYSJU-ARFHVFGLSA-N 2 0 260.425 2.616 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(F)c2ccccc12 ZINC001167878252 776711637 /nfs/dbraw/zinc/71/16/37/776711637.db2.gz IDRJZLFZVFBZPN-UHFFFAOYSA-N 2 0 274.343 2.654 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1ccccc1OC1CCCC1 ZINC001167880870 776713696 /nfs/dbraw/zinc/71/36/96/776713696.db2.gz AHINIUNKQHNOSQ-UHFFFAOYSA-N 2 0 290.411 2.683 20 0 CFADRP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001207683633 776802133 /nfs/dbraw/zinc/80/21/33/776802133.db2.gz SQEBUIHOEPVVRM-WMZOPIPTSA-N 2 0 296.499 2.981 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000722567882 776802744 /nfs/dbraw/zinc/80/27/44/776802744.db2.gz RVASLHXZBFUCTE-GIPNMCIBSA-N 2 0 267.442 2.656 20 0 CFADRP C[N@@H+]1CC[C@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229449020 776815768 /nfs/dbraw/zinc/81/57/68/776815768.db2.gz UCFZHQOAVXBLHA-KRWDZBQOSA-N 2 0 274.408 2.755 20 0 CFADRP CCN1CC(Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229450094 776815905 /nfs/dbraw/zinc/81/59/05/776815905.db2.gz IKNUWOBMNNUATJ-UHFFFAOYSA-N 2 0 274.408 2.755 20 0 CFADRP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1Cl ZINC001277396278 776840900 /nfs/dbraw/zinc/84/09/00/776840900.db2.gz LQRQKMZPAAVMCB-OKILXGFUSA-N 2 0 293.842 2.817 20 0 CFADRP C[C@@H](c1cccc(O[C@@H]2CCC[N@H+](C)C2)c1)[NH+](C)C ZINC001229628803 776860216 /nfs/dbraw/zinc/86/02/16/776860216.db2.gz XDTYVIOFQHPMOO-XJKSGUPXSA-N 2 0 262.397 2.782 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=N)SCC[NH3+])c1F ZINC001167916322 776876232 /nfs/dbraw/zinc/87/62/32/776876232.db2.gz RKPVIKWBFFSYST-UHFFFAOYSA-N 2 0 298.431 2.706 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918480 776916356 /nfs/dbraw/zinc/91/63/56/776916356.db2.gz UXGAAPGAMJOANZ-PECIQYQJSA-N 2 0 285.435 2.952 20 0 CFADRP CC[N@@H+]1CCC[C@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225335272 776971986 /nfs/dbraw/zinc/97/19/86/776971986.db2.gz YUILOSWKFRNZQO-INIZCTEOSA-N 2 0 262.397 2.611 20 0 CFADRP c1ccc2c(c1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000710794701 777112930 /nfs/dbraw/zinc/11/29/30/777112930.db2.gz SFTAOWOSAWZJHN-SJPCQFCGSA-N 2 0 256.393 2.718 20 0 CFADRP CC[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@@H]2CN)C1 ZINC000721639083 777226044 /nfs/dbraw/zinc/22/60/44/777226044.db2.gz GORKQOJMLKGEOS-KBRIMQKVSA-N 2 0 258.409 2.951 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231492351 777239165 /nfs/dbraw/zinc/23/91/65/777239165.db2.gz MPZIZAKEOXXAJB-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960795 777307713 /nfs/dbraw/zinc/30/77/13/777307713.db2.gz CZMJQKDCZJJQEH-GOOCMWNKSA-N 2 0 268.470 2.735 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCCN(Cc3cccc4c[nH+]cn43)C2)C1 ZINC001277559936 777322283 /nfs/dbraw/zinc/32/22/83/777322283.db2.gz VQUXBSSXKODWKT-SFHVURJKSA-N 2 0 298.434 2.642 20 0 CFADRP c1coc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167962057 777332706 /nfs/dbraw/zinc/33/27/06/777332706.db2.gz UBTGQVWFENDRFK-MQVJKMGUSA-N 2 0 274.408 2.817 20 0 CFADRP COc1cccc2c(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c[nH]c21 ZINC001231896423 777373323 /nfs/dbraw/zinc/37/33/23/777373323.db2.gz XOQMVBZNIMSFPY-HIFRSBDPSA-N 2 0 299.418 2.560 20 0 CFADRP Cc1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cnc1F ZINC001231926081 777384782 /nfs/dbraw/zinc/38/47/82/777384782.db2.gz IKTPCFXBXNNEPV-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP [NH3+]Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167963901 777388289 /nfs/dbraw/zinc/38/82/89/777388289.db2.gz HQDLTCCCZBNUEG-AYHJJNSGSA-N 2 0 285.435 2.963 20 0 CFADRP FC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167965460 777405066 /nfs/dbraw/zinc/40/50/66/777405066.db2.gz GRAPYIFQMYOLBP-MQVJKMGUSA-N 2 0 296.430 2.500 20 0 CFADRP c1c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232012000 777411137 /nfs/dbraw/zinc/41/11/37/777411137.db2.gz SEXDMYDNOWIOQF-BLLLJJGKSA-N 2 0 271.364 2.564 20 0 CFADRP c1c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)[nH]c2cc[nH+]cc12 ZINC001232015209 777412727 /nfs/dbraw/zinc/41/27/27/777412727.db2.gz CRPMLSGFVLQEIW-MRXNPFEDSA-N 2 0 271.364 2.565 20 0 CFADRP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)C[C@H]1CCCCO1 ZINC001232013781 777412859 /nfs/dbraw/zinc/41/28/59/777412859.db2.gz FMRMLNWNOJVLTO-CQSZACIVSA-N 2 0 259.353 2.564 20 0 CFADRP CCOCC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232015971 777414692 /nfs/dbraw/zinc/41/46/92/777414692.db2.gz PIWSBQIOHSENBU-UHFFFAOYSA-N 2 0 273.380 2.811 20 0 CFADRP C[N@@H+]1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000606605586 777427556 /nfs/dbraw/zinc/42/75/56/777427556.db2.gz PXHYRTCVEYHMMY-OAHLLOKOSA-N 2 0 266.816 2.956 20 0 CFADRP CC(C)[N@H+](Cc1cc2ncccc2[nH]1)C1CCN(C)CC1 ZINC001232068720 777430462 /nfs/dbraw/zinc/43/04/62/777430462.db2.gz VAYZOJLSUGJVIH-UHFFFAOYSA-N 2 0 286.423 2.868 20 0 CFADRP COCC1CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232143795 777449283 /nfs/dbraw/zinc/44/92/83/777449283.db2.gz GQXUGSQCHAOCMS-UHFFFAOYSA-N 2 0 294.414 2.746 20 0 CFADRP COC1(C)CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232145111 777449893 /nfs/dbraw/zinc/44/98/93/777449893.db2.gz VPAHNXACZUNDOI-UHFFFAOYSA-N 2 0 294.414 2.888 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3nccc4ccccc43)C2)CC1 ZINC001232251684 777493994 /nfs/dbraw/zinc/49/39/94/777493994.db2.gz FJHTTWPKQFALMK-UHFFFAOYSA-N 2 0 281.403 2.762 20 0 CFADRP CCc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc[nH+]1 ZINC001167988263 777499389 /nfs/dbraw/zinc/49/93/89/777499389.db2.gz WEKUZZZOCSLQDY-UHFFFAOYSA-N 2 0 281.359 2.795 20 0 CFADRP CC(=O)[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994663 777528062 /nfs/dbraw/zinc/52/80/62/777528062.db2.gz JJBRSPORTMYPGL-XNHLSEOASA-N 2 0 290.451 2.693 20 0 CFADRP CC(=O)[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994662 777528508 /nfs/dbraw/zinc/52/85/08/777528508.db2.gz JJBRSPORTMYPGL-HRBLRVMOSA-N 2 0 290.451 2.693 20 0 CFADRP c1c[nH]c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2)c1 ZINC001277693934 777628817 /nfs/dbraw/zinc/62/88/17/777628817.db2.gz NGKILKRQLMMWBB-ZXFUBFMLSA-N 2 0 282.391 2.699 20 0 CFADRP c1c[nH]c(C[NH+]2CC3(C2)CCN(c2cc[nH+]cc2)CC3)c1 ZINC001277695264 777630773 /nfs/dbraw/zinc/63/07/73/777630773.db2.gz XOYAWUFUTXKCPK-UHFFFAOYSA-N 2 0 282.391 2.512 20 0 CFADRP CNc1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001232670378 777635084 /nfs/dbraw/zinc/63/50/84/777635084.db2.gz CPVQBNMKUNJPNJ-UHFFFAOYSA-N 2 0 261.413 2.502 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc[nH]c(=O)c1 ZINC000340451593 777659779 /nfs/dbraw/zinc/65/97/79/777659779.db2.gz ZEIDEUHXFSEIBP-CYBMUJFWSA-N 2 0 289.423 2.845 20 0 CFADRP C[C@H](C[NH3+])CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031138 777733264 /nfs/dbraw/zinc/73/32/64/777733264.db2.gz XWHZOXPUCAMOCY-XLMAVXFVSA-N 2 0 289.467 2.612 20 0 CFADRP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cnc1C ZINC001233161080 777807951 /nfs/dbraw/zinc/80/79/51/777807951.db2.gz RKWWHUHYRICGGZ-UHFFFAOYSA-N 2 0 273.424 2.616 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)CCO1 ZINC001168073507 777937291 /nfs/dbraw/zinc/93/72/91/777937291.db2.gz CRPVZZDZBMJJIZ-HIFRSBDPSA-N 2 0 254.418 2.537 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CCO1 ZINC001168086402 777993408 /nfs/dbraw/zinc/99/34/08/777993408.db2.gz FSYRVHUJSULOQZ-QWHCGFSZSA-N 2 0 268.445 2.795 20 0 CFADRP CCC(CC)[NH+]1CCC([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168093107 778025730 /nfs/dbraw/zinc/02/57/30/778025730.db2.gz LTEFCVVWZMHNFO-HIFRSBDPSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC(N)(c3ccccc3F)CC2)CCO1 ZINC001168092966 778026148 /nfs/dbraw/zinc/02/61/48/778026148.db2.gz KBSMDELIGNZSJI-KGLIPLIRSA-N 2 0 292.398 2.643 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCO1 ZINC001168094907 778031723 /nfs/dbraw/zinc/03/17/23/778031723.db2.gz XWRLIOHCCLASJZ-CJNGLKHVSA-N 2 0 292.398 2.643 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CCO1 ZINC001168101009 778043091 /nfs/dbraw/zinc/04/30/91/778043091.db2.gz KMIJGBFNQUHVBU-DOTOQJQBSA-N 2 0 288.435 2.590 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168104439 778048440 /nfs/dbraw/zinc/04/84/40/778048440.db2.gz UPVPDOHXAJOKNW-KLHDSHLOSA-N 2 0 268.445 2.797 20 0 CFADRP CC[C@H](C)[NH+]1CCC2(CCC[N@H+](COCCOC)C2)CC1 ZINC001277806851 778074049 /nfs/dbraw/zinc/07/40/49/778074049.db2.gz JQYMBLZZMAWITJ-INIZCTEOSA-N 2 0 298.471 2.583 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCSCC[NH3+] ZINC001168169971 778202749 /nfs/dbraw/zinc/20/27/49/778202749.db2.gz ZOWRITXMFORLFK-LLVKDONJSA-N 2 0 272.845 2.553 20 0 CFADRP CCC[NH+]1C[C@H]2C[NH+](C3CCC(C)CC3)C[C@@H]2C1 ZINC001168221778 778255365 /nfs/dbraw/zinc/25/53/65/778255365.db2.gz PBAWVHHBVCSJOW-PYBGIAKNSA-N 2 0 250.430 2.839 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2Cc3ccc(OC)cc3C2)CC1 ZINC001168230286 778259741 /nfs/dbraw/zinc/25/97/41/778259741.db2.gz LNGBOYKZKAASLL-KRWDZBQOSA-N 2 0 288.435 2.626 20 0 CFADRP Cc1cc2cc(N[C@H]3C[NH2+]CC[C@H]3F)ccc2c[nH+]1 ZINC001168234851 778263489 /nfs/dbraw/zinc/26/34/89/778263489.db2.gz TUBISMBMSAPWCX-CABCVRRESA-N 2 0 259.328 2.655 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1)C2 ZINC001168257053 778276025 /nfs/dbraw/zinc/27/60/25/778276025.db2.gz IRSCJLPMMUSNNR-YESZJQIVSA-N 2 0 288.435 2.625 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2C[NH+](C)C)C1 ZINC001229699030 778328457 /nfs/dbraw/zinc/32/84/57/778328457.db2.gz JOQFEKFBQRGZGY-OAHLLOKOSA-N 2 0 262.397 2.610 20 0 CFADRP CCSCC[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001277913516 778345353 /nfs/dbraw/zinc/34/53/53/778345353.db2.gz JPGMMAQBQLEYOG-UHFFFAOYSA-N 2 0 293.480 2.666 20 0 CFADRP CCc1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)s1 ZINC001235005024 778350077 /nfs/dbraw/zinc/35/00/77/778350077.db2.gz CAQGXUKZRIYYON-INIZCTEOSA-N 2 0 294.464 2.513 20 0 CFADRP Cc1cccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)c1C ZINC001235004721 778350682 /nfs/dbraw/zinc/35/06/82/778350682.db2.gz AVBKISCYEUXMDF-SFHVURJKSA-N 2 0 288.435 2.505 20 0 CFADRP c1cc2c(cc1C[NH+]1CCC3(CC[NH2+]C3)CC1)CCCN2 ZINC001235104910 778382747 /nfs/dbraw/zinc/38/27/47/778382747.db2.gz WYDLENHNIFKUPC-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP c1ccn(-c2ccccc2CN2CCC[C@]23CC[NH2+]C3)c1 ZINC001235112356 778384249 /nfs/dbraw/zinc/38/42/49/778384249.db2.gz WYOMLVRCKLXLKD-GOSISDBHSA-N 2 0 281.403 2.805 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CNCCO3)C2)c(C)c1 ZINC001235113537 778386289 /nfs/dbraw/zinc/38/62/89/778386289.db2.gz DIJYESSONOIOQS-GOSISDBHSA-N 2 0 288.435 2.566 20 0 CFADRP c1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc2c1NCC2 ZINC001235192199 778409750 /nfs/dbraw/zinc/40/97/50/778409750.db2.gz YPFQWLSTLATAJO-UHFFFAOYSA-N 2 0 285.435 2.763 20 0 CFADRP C[NH+](C)C1CCC(Nc2cccc(F)c2C[NH3+])CC1 ZINC001168295058 778410817 /nfs/dbraw/zinc/41/08/17/778410817.db2.gz RVHGMUGLRIELTM-UHFFFAOYSA-N 2 0 265.376 2.569 20 0 CFADRP CC(=O)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC001168297799 778412839 /nfs/dbraw/zinc/41/28/39/778412839.db2.gz MBMKQQLECSINKV-OFLPRAFFSA-N 2 0 274.408 2.779 20 0 CFADRP COc1cc(F)ccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168298754 778413369 /nfs/dbraw/zinc/41/33/69/778413369.db2.gz BLBIFLILCRVHTB-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(OC(F)F)nc2)CC1 ZINC001168299265 778414253 /nfs/dbraw/zinc/41/42/53/778414253.db2.gz IWGJJBKXJYMFGL-UHFFFAOYSA-N 2 0 299.365 2.645 20 0 CFADRP c1c[nH]c(C[NH+]2CC3(C2)CC[NH+](C2CCCC2)CC3)c1 ZINC001277930983 778415392 /nfs/dbraw/zinc/41/53/92/778415392.db2.gz YZUOUJLBNZQCHU-UHFFFAOYSA-N 2 0 273.424 2.855 20 0 CFADRP C[NH+](C)C1CCC(N2CC[C@H]([NH3+])c3ccccc32)CC1 ZINC001168299713 778415363 /nfs/dbraw/zinc/41/53/63/778415363.db2.gz MTIAHPVRVWZYDV-XUJLQICISA-N 2 0 273.424 2.769 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC(=O)c2cc(F)ccc2F)CC1 ZINC001168304956 778418523 /nfs/dbraw/zinc/41/85/23/778418523.db2.gz CLFFXNVTENVLOV-UHFFFAOYSA-N 2 0 296.361 2.610 20 0 CFADRP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168304988 778418736 /nfs/dbraw/zinc/41/87/36/778418736.db2.gz FGJBOAPYCFWPJS-YHNBSYBMSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(c3ccc(F)cc3)COC2)CC1 ZINC001168305553 778419648 /nfs/dbraw/zinc/41/96/48/778419648.db2.gz MRANIMLTIBOBDW-UHFFFAOYSA-N 2 0 292.398 2.514 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc(N2CC[NH2+]CC2)c1 ZINC001235224480 778420200 /nfs/dbraw/zinc/42/02/00/778420200.db2.gz MGLULBMHGARLKM-ZWKOTPCHSA-N 2 0 299.462 2.718 20 0 CFADRP C(C1CC2(C1)CC[NH2+]CC2)[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001235221819 778420738 /nfs/dbraw/zinc/42/07/38/778420738.db2.gz FJKXPWBNKLWOOQ-CVEARBPZSA-N 2 0 262.441 2.888 20 0 CFADRP CC/C=C\CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235224957 778421656 /nfs/dbraw/zinc/42/16/56/778421656.db2.gz PURLTWVGJORIER-LDIIPZEWSA-N 2 0 276.346 2.817 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@H]3CCC[C@@H]3C1)C[NH2+]CC2 ZINC001235226085 778422122 /nfs/dbraw/zinc/42/21/22/778422122.db2.gz YCJRWRUHFIBTRI-NVXWUHKLSA-N 2 0 270.420 2.954 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001235225358 778422193 /nfs/dbraw/zinc/42/21/93/778422193.db2.gz TWFZDXJBAFVONA-SJORKVTESA-N 2 0 299.462 2.718 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C2(Cc3cccnc3)CC2)CC1 ZINC001168311845 778422348 /nfs/dbraw/zinc/42/23/48/778422348.db2.gz CMZBBSRKKKYBRN-UHFFFAOYSA-N 2 0 273.424 2.619 20 0 CFADRP CS[C@H](C)CC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233182 778423605 /nfs/dbraw/zinc/42/36/05/778423605.db2.gz OONHPYIMUYSQCB-UKRRQHHQSA-N 2 0 270.486 2.982 20 0 CFADRP CCOC(C)(C)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232429 778424137 /nfs/dbraw/zinc/42/41/37/778424137.db2.gz IOEPTKYFTKAMSE-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CCc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)on1 ZINC001235233138 778424334 /nfs/dbraw/zinc/42/43/34/778424334.db2.gz OIKUCNQLHDBLQB-INIZCTEOSA-N 2 0 277.412 2.591 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cncnc2C(C)(F)F)CC1 ZINC001168314343 778425680 /nfs/dbraw/zinc/42/56/80/778425680.db2.gz FIBXUOGRZCQARB-UHFFFAOYSA-N 2 0 298.381 2.551 20 0 CFADRP S=C1C=COC1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237566 778426286 /nfs/dbraw/zinc/42/62/86/778426286.db2.gz LRORCUKCXRXMGT-ZDUSSCGKSA-N 2 0 280.437 2.922 20 0 CFADRP Nc1c(F)cccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237582 778426566 /nfs/dbraw/zinc/42/65/66/778426566.db2.gz LUWVYNYGYANXKT-MRXNPFEDSA-N 2 0 291.414 2.762 20 0 CFADRP Cc1cnc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235237816 778426999 /nfs/dbraw/zinc/42/69/99/778426999.db2.gz MRFGRQQTADGLHE-MRXNPFEDSA-N 2 0 291.414 2.883 20 0 CFADRP Nc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235238011 778427071 /nfs/dbraw/zinc/42/70/71/778427071.db2.gz GDYDXCHRRIFSSI-KRWDZBQOSA-N 2 0 273.424 2.623 20 0 CFADRP S=C1C=COC1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237535 778427219 /nfs/dbraw/zinc/42/72/19/778427219.db2.gz LRORCUKCXRXMGT-CYBMUJFWSA-N 2 0 280.437 2.922 20 0 CFADRP Oc1cc(F)cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235240131 778427580 /nfs/dbraw/zinc/42/75/80/778427580.db2.gz VTZQUKVSPZDGIN-KRWDZBQOSA-N 2 0 292.398 2.885 20 0 CFADRP c1c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]c2cc[nH+]cc12 ZINC001235241305 778428103 /nfs/dbraw/zinc/42/81/03/778428103.db2.gz ORIXIUXFEHBFEC-KRWDZBQOSA-N 3 0 298.434 2.917 20 0 CFADRP c1cc2n(c1C[NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)CCC2 ZINC001235240176 778428230 /nfs/dbraw/zinc/42/82/30/778428230.db2.gz WFNGWEFLJVRKPZ-GOSISDBHSA-N 2 0 287.451 2.788 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC001168316086 778429019 /nfs/dbraw/zinc/42/90/19/778429019.db2.gz VMTAFLIZSHTUIG-RDHHWEPZSA-N 3 0 281.488 2.568 20 0 CFADRP C[C@H]1C[C@H]1C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235249603 778431994 /nfs/dbraw/zinc/43/19/94/778431994.db2.gz TWEKYGZAPQYVQV-DZJNRPSUSA-N 2 0 270.420 2.864 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCc3ccsc3C2)CC1 ZINC001168323827 778432892 /nfs/dbraw/zinc/43/28/92/778432892.db2.gz DLHQJSBLRLGXIE-UHFFFAOYSA-N 2 0 264.438 2.979 20 0 CFADRP Cc1ccc(C[N@@H+](C)C2CCC([NH+](C)C)CC2)cn1 ZINC001168328268 778434442 /nfs/dbraw/zinc/43/44/42/778434442.db2.gz CCQJPKRPCGMADP-UHFFFAOYSA-N 2 0 261.413 2.695 20 0 CFADRP c1ccc(C2(C[N@@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)CCCC2)cc1 ZINC001235254148 778434426 /nfs/dbraw/zinc/43/44/26/778434426.db2.gz BBELPQYFPXHVTP-RDJZCZTQSA-N 2 0 270.420 2.792 20 0 CFADRP FC(F)(F)c1cccc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235255405 778434620 /nfs/dbraw/zinc/43/46/20/778434620.db2.gz MTBBJSKQTYAQTI-UKRRQHHQSA-N 2 0 298.352 2.932 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C)CC2CC(F)(F)C2)CC1 ZINC001168327379 778434787 /nfs/dbraw/zinc/43/47/87/778434787.db2.gz LFLGXFAUYDARSI-UHFFFAOYSA-N 2 0 260.372 2.836 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001168328537 778435082 /nfs/dbraw/zinc/43/50/82/778435082.db2.gz JFIPIINIEFNANT-UHFFFAOYSA-N 3 0 293.499 2.667 20 0 CFADRP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235256758 778435858 /nfs/dbraw/zinc/43/58/58/778435858.db2.gz SXIKCCNCIBFXIM-ULQDDVLXSA-N 2 0 258.409 2.807 20 0 CFADRP CC(C)[N@H+](C1CCC([NH+](C)C)CC1)C1CCN(C)CC1 ZINC001168331096 778435955 /nfs/dbraw/zinc/43/59/55/778435955.db2.gz YVCWXEIVBWHFQC-UHFFFAOYSA-N 2 0 281.488 2.664 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235263263 778438127 /nfs/dbraw/zinc/43/81/27/778438127.db2.gz TWLQUARODHHVRB-HOTGVXAUSA-N 2 0 296.455 2.574 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235263268 778438192 /nfs/dbraw/zinc/43/81/92/778438192.db2.gz TWLQUARODHHVRB-JKSUJKDBSA-N 2 0 296.455 2.574 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2c(c1)CCCC2 ZINC001235266913 778440254 /nfs/dbraw/zinc/44/02/54/778440254.db2.gz HSOVSNGLQWZXFA-FUHWJXTLSA-N 2 0 270.420 2.749 20 0 CFADRP [NH3+]CCCN(C1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168353667 778448028 /nfs/dbraw/zinc/44/80/28/778448028.db2.gz PROAXNRAWAQGMZ-UHFFFAOYSA-N 2 0 293.499 2.844 20 0 CFADRP CC1(C[NH+]2CCC(C3C[NH2+]C3)CC2)CCCCC1 ZINC001235335389 778458109 /nfs/dbraw/zinc/45/81/09/778458109.db2.gz MOTNRQALLRJDAL-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235337178 778459239 /nfs/dbraw/zinc/45/92/39/778459239.db2.gz GMMDRGKWHDSWBA-HNNXBMFYSA-N 2 0 250.430 2.888 20 0 CFADRP c1ccn(-c2ccccc2C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235340662 778460316 /nfs/dbraw/zinc/46/03/16/778460316.db2.gz VDPUYAKAHIQHSC-UHFFFAOYSA-N 2 0 295.430 2.909 20 0 CFADRP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379776 778471109 /nfs/dbraw/zinc/47/11/09/778471109.db2.gz QPKKIKDHPFNVHJ-HPBDAGMYSA-N 2 0 270.420 2.722 20 0 CFADRP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](CC1CCCCC1)C2 ZINC001235405468 778478012 /nfs/dbraw/zinc/47/80/12/778478012.db2.gz PAHNRFNBHXRVFJ-LSDHHAIUSA-N 2 0 254.393 2.590 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235406970 778478926 /nfs/dbraw/zinc/47/89/26/778478926.db2.gz RWOULDAZHBZRKZ-DLBZAZTESA-N 2 0 276.399 2.827 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1C ZINC001235410489 778480902 /nfs/dbraw/zinc/48/09/02/778480902.db2.gz YFURJWKEIMFWTH-DLBZAZTESA-N 2 0 276.399 2.827 20 0 CFADRP Nc1c(F)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235421486 778485441 /nfs/dbraw/zinc/48/54/41/778485441.db2.gz CJYXWCSXRFEAQE-KBPBESRZSA-N 2 0 291.414 2.620 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)CCN2 ZINC001235420778 778485982 /nfs/dbraw/zinc/48/59/82/778485982.db2.gz BCPQKTAFCIEQAG-CVEARBPZSA-N 2 0 299.462 2.866 20 0 CFADRP Oc1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235428076 778486998 /nfs/dbraw/zinc/48/69/98/778486998.db2.gz OLJNMVUZXDTRLK-LSDHHAIUSA-N 2 0 292.398 2.743 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1ccccc1C(F)(F)F ZINC001235435183 778489241 /nfs/dbraw/zinc/48/92/41/778489241.db2.gz BYHVFRINMPPXFO-UHFFFAOYSA-N 2 0 274.330 2.919 20 0 CFADRP CCc1cc(Br)ccc1C[N@H+](C)CCC[NH3+] ZINC001235435406 778489830 /nfs/dbraw/zinc/48/98/30/778489830.db2.gz MQJLWBHSQMEWGK-UHFFFAOYSA-N 2 0 285.229 2.792 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)Cc1cccc(F)c1)[NH+](C)C ZINC000697877382 778491313 /nfs/dbraw/zinc/49/13/13/778491313.db2.gz HTMLUUVFGMSTBA-QWHCGFSZSA-N 2 0 252.377 2.687 20 0 CFADRP Cc1cc(OC(C)C)cc(C)c1C[N@H+](C)CCC[NH3+] ZINC001235441221 778491787 /nfs/dbraw/zinc/49/17/87/778491787.db2.gz ITTQYWSONFCERF-UHFFFAOYSA-N 2 0 264.413 2.871 20 0 CFADRP CN(Cc1cncc(F)c1Cl)CC1CC[NH+](C)CC1 ZINC001235495266 778504966 /nfs/dbraw/zinc/50/49/66/778504966.db2.gz JQIUTSMBLZLDRQ-UHFFFAOYSA-N 2 0 285.794 2.648 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697911242 778522621 /nfs/dbraw/zinc/52/26/21/778522621.db2.gz YMMKCYXXVDCLHS-ZIAGYGMSSA-N 2 0 264.413 2.556 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CC[C@H](C)[NH+](C)C ZINC000697911236 778522724 /nfs/dbraw/zinc/52/27/24/778522724.db2.gz YMMKCYXXVDCLHS-KGLIPLIRSA-N 2 0 264.413 2.556 20 0 CFADRP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccc2ccccc21 ZINC001235662984 778530714 /nfs/dbraw/zinc/53/07/14/778530714.db2.gz NVRLDBPYWDHOTP-QGZVFWFLSA-N 2 0 284.403 2.650 20 0 CFADRP C[N@@H+]1CCN(CC[C@H]2CCCC[NH2+]2)C[C@H]1c1ccccc1 ZINC001235672770 778531703 /nfs/dbraw/zinc/53/17/03/778531703.db2.gz GRXXTFBZRUOEAD-MSOLQXFVSA-N 2 0 287.451 2.507 20 0 CFADRP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+](C)Cc1ccccc1F ZINC001235691227 778538010 /nfs/dbraw/zinc/53/80/10/778538010.db2.gz GWEJPHPBRIFXFL-YPMHNXCESA-N 2 0 286.341 2.748 20 0 CFADRP CC1(C)CC[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235690710 778538226 /nfs/dbraw/zinc/53/82/26/778538226.db2.gz KYWHZCNJISONIK-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP Cc1ccc(O[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001235689419 778538462 /nfs/dbraw/zinc/53/84/62/778538462.db2.gz ZAZDBGSBMNLZAG-SJLPKXTDSA-N 2 0 288.435 2.838 20 0 CFADRP c1ccc(OC2C[NH+](CC3CC4(C3)CC[NH2+]CC4)C2)cc1 ZINC001235704925 778543374 /nfs/dbraw/zinc/54/33/74/778543374.db2.gz FDOCEDYZOYSWNG-UHFFFAOYSA-N 2 0 286.419 2.529 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(O)cc(Cl)c1 ZINC001235716476 778545490 /nfs/dbraw/zinc/54/54/90/778545490.db2.gz DQKUVJWAGIMMQA-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP Cc1ccc2cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc2n1 ZINC000697928393 778546282 /nfs/dbraw/zinc/54/62/82/778546282.db2.gz RKBDKHLMVJMRAE-CQSZACIVSA-N 2 0 271.408 2.973 20 0 CFADRP C[Si](C)(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001235825336 778569779 /nfs/dbraw/zinc/56/97/79/778569779.db2.gz LXMFHRZARMMSKY-MRXNPFEDSA-N 2 0 276.500 2.976 20 0 CFADRP c1cc(C[NH+]2CCCCCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001235840355 778575750 /nfs/dbraw/zinc/57/57/50/778575750.db2.gz LYHRLHLXKLZJNZ-UHFFFAOYSA-N 2 0 287.451 2.862 20 0 CFADRP FC(F)(F)c1ccc(CC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235928702 778613005 /nfs/dbraw/zinc/61/30/05/778613005.db2.gz CHSKMRLSIWDINY-ZIAGYGMSSA-N 2 0 298.352 2.789 20 0 CFADRP COc1ccc2cc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001235929502 778613648 /nfs/dbraw/zinc/61/36/48/778613648.db2.gz QMSIWLUOJBMRRD-QZTJIDSGSA-N 2 0 296.414 2.890 20 0 CFADRP Clc1ccc([C@@H]2C[C@@H]2C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235930440 778613693 /nfs/dbraw/zinc/61/36/93/778613693.db2.gz WWIBHMJEPMBHSN-ANQUJSFKSA-N 2 0 290.838 2.985 20 0 CFADRP c1ccc(CCCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235929421 778613855 /nfs/dbraw/zinc/61/38/55/778613855.db2.gz OMNIBRAHHHIDGT-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000160809631 778617073 /nfs/dbraw/zinc/61/70/73/778617073.db2.gz FQEDHORCHLBBOC-UHFFFAOYSA-N 2 0 256.752 2.839 20 0 CFADRP CCc1ccccc1C[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235937492 778617991 /nfs/dbraw/zinc/61/79/91/778617991.db2.gz NNAAMHFWAKRCDJ-UHFFFAOYSA-N 2 0 290.451 2.840 20 0 CFADRP CCCc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235942035 778619753 /nfs/dbraw/zinc/61/97/53/778619753.db2.gz XUDIUDBPBVQTLW-IAGOWNOFSA-N 2 0 258.409 2.680 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235942854 778620577 /nfs/dbraw/zinc/62/05/77/778620577.db2.gz YGLHTXAWTLERCT-ZIAGYGMSSA-N 2 0 278.827 2.998 20 0 CFADRP CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235949642 778623610 /nfs/dbraw/zinc/62/36/10/778623610.db2.gz PLWOSJNFJOHNAY-AWEZNQCLSA-N 2 0 258.409 2.954 20 0 CFADRP CCCOc1ccccc1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC001235950894 778624142 /nfs/dbraw/zinc/62/41/42/778624142.db2.gz OZVVNCAPWVQKSF-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1ccc([C@@H](C)CC[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])o1 ZINC001235958292 778627372 /nfs/dbraw/zinc/62/73/72/778627372.db2.gz CSTBGUOPFNKKKL-ZIEJDFEHSA-N 2 0 262.397 2.751 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001235959406 778628761 /nfs/dbraw/zinc/62/87/61/778628761.db2.gz PLUIRLGYDMLMGM-AGGWBTHJSA-N 2 0 298.352 2.917 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235960087 778629477 /nfs/dbraw/zinc/62/94/77/778629477.db2.gz OOBBZDRHWVBPBR-ALXJQNPVSA-N 2 0 270.420 2.735 20 0 CFADRP CC(C)c1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235960690 778630125 /nfs/dbraw/zinc/63/01/25/778630125.db2.gz WXVCNQGVSMLYAD-BJWYYQGGSA-N 2 0 258.409 2.979 20 0 CFADRP CC[N@H+](CCC1CC[NH2+]CC1)Cc1cccc(OC)c1 ZINC001235963070 778630784 /nfs/dbraw/zinc/63/07/84/778630784.db2.gz SZIVVJPTRJFJCN-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP Clc1ccc(O[C@H]2CCC[N@H+](CCC3C[NH2+]C3)C2)cc1 ZINC001235973109 778634028 /nfs/dbraw/zinc/63/40/28/778634028.db2.gz LDCVNNVEVQPOHQ-INIZCTEOSA-N 2 0 294.826 2.793 20 0 CFADRP CCOc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(C)c1 ZINC001236008945 778653232 /nfs/dbraw/zinc/65/32/32/778653232.db2.gz JFKSRMINSJXTMF-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236009503 778653814 /nfs/dbraw/zinc/65/38/14/778653814.db2.gz ULSYSIVECXWSIQ-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP c1cc2c(cc1C[NH+]1CC3(C1)CCC[NH2+]CC3)CCCN2 ZINC001236009614 778654226 /nfs/dbraw/zinc/65/42/26/778654226.db2.gz NKKVXTDFMDVUHU-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP Fc1cccc2c1CC[N@H+](CC1CC3(C1)CC[NH2+]CC3)C2 ZINC001236048730 778666992 /nfs/dbraw/zinc/66/69/92/778666992.db2.gz SJBKJRVGUMIPIP-UHFFFAOYSA-N 2 0 288.410 2.964 20 0 CFADRP CCn1ccc2ccc(C[N@@H+]3CC[C@H](C[NH2+]C)C3)cc21 ZINC001236065487 778678915 /nfs/dbraw/zinc/67/89/15/778678915.db2.gz AEYUDVMAGROUSK-OAHLLOKOSA-N 2 0 271.408 2.703 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3cccccc2-3)CCC[NH2+]1 ZINC001236100492 778693053 /nfs/dbraw/zinc/69/30/53/778693053.db2.gz JYIOZCYIRKRUJO-AWEZNQCLSA-N 2 0 254.377 2.975 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN(C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236236279 778746670 /nfs/dbraw/zinc/74/66/70/778746670.db2.gz JHBCHVPVSXDVLW-QGZVFWFLSA-N 2 0 279.472 2.515 20 0 CFADRP c1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CCS2 ZINC001236239007 778747770 /nfs/dbraw/zinc/74/77/70/778747770.db2.gz DOQVWYOCSBIOCC-AWEZNQCLSA-N 2 0 276.449 2.984 20 0 CFADRP CC[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(C)c(C)c1 ZINC001236240272 778749395 /nfs/dbraw/zinc/74/93/95/778749395.db2.gz KKWHRENBAKSTTE-QGZVFWFLSA-N 2 0 276.424 2.504 20 0 CFADRP c1cc2c(cc1C[N@@H+](CC1CC1)C1CC1)CC[NH2+]C2 ZINC001236254228 778754540 /nfs/dbraw/zinc/75/45/40/778754540.db2.gz XDNLGBRILFNJAZ-UHFFFAOYSA-N 2 0 256.393 2.707 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387611 778767467 /nfs/dbraw/zinc/76/74/67/778767467.db2.gz MKMSGIZPNZDTCJ-KBPBESRZSA-N 2 0 250.430 2.839 20 0 CFADRP Nc1ccc(-c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)cn1 ZINC001236315190 778774082 /nfs/dbraw/zinc/77/40/82/778774082.db2.gz FJZWKXMDAJVTGD-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1F ZINC001236316286 778774984 /nfs/dbraw/zinc/77/49/84/778774984.db2.gz QSIBGDZNNWITBS-GASCZTMLSA-N 2 0 262.372 2.566 20 0 CFADRP Cc1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317519 778776066 /nfs/dbraw/zinc/77/60/66/778776066.db2.gz YPHDIDFFOPHDRE-GASCZTMLSA-N 2 0 262.372 2.566 20 0 CFADRP Nc1ccc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001236318198 778776742 /nfs/dbraw/zinc/77/67/42/778776742.db2.gz ZPSBUFUVYGSWQE-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP Oc1ccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2c1 ZINC001236320177 778777218 /nfs/dbraw/zinc/77/72/18/778777218.db2.gz KRSZHIHPTKNTNB-HDICACEKSA-N 2 0 296.414 2.977 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc2n1 ZINC001236319903 778777774 /nfs/dbraw/zinc/77/77/74/778777774.db2.gz HMKKBAUMMKHUEY-HDICACEKSA-N 2 0 295.430 2.975 20 0 CFADRP c1cc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2)n[nH]1 ZINC001236320066 778778219 /nfs/dbraw/zinc/77/82/19/778778219.db2.gz AQJCFNBHBSCYBN-CALCHBBNSA-N 2 0 296.418 2.508 20 0 CFADRP c1cc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2[nH]1 ZINC001236322485 778778486 /nfs/dbraw/zinc/77/84/86/778778486.db2.gz YUOXELBJPONVEY-GASCZTMLSA-N 2 0 269.392 2.599 20 0 CFADRP C[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001168392643 778780474 /nfs/dbraw/zinc/78/04/74/778780474.db2.gz REEKOWBHLREGRE-KBPBESRZSA-N 2 0 250.430 2.981 20 0 CFADRP [NH3+]CCc1ccccc1-c1cccc2c1CC[NH2+]C2 ZINC001236353764 778789760 /nfs/dbraw/zinc/78/97/60/778789760.db2.gz OMLRVXZQHUVAPA-UHFFFAOYSA-N 2 0 252.361 2.501 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCCC2)c1 ZINC000032112670 778795815 /nfs/dbraw/zinc/79/58/15/778795815.db2.gz MYPPHCJDDBXGPS-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236407024 778805197 /nfs/dbraw/zinc/80/51/97/778805197.db2.gz AQWHQCZJVHDDHT-HNNXBMFYSA-N 2 0 276.424 2.743 20 0 CFADRP CC[N@@H+](Cc1cccc2c1CCC2)C[C@H]1CC[NH2+]C1 ZINC001236411009 778806615 /nfs/dbraw/zinc/80/66/15/778806615.db2.gz LOQFALFCTOUUGJ-AWEZNQCLSA-N 2 0 258.409 2.607 20 0 CFADRP Cc1ccc2ccccc2c1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411377 778806703 /nfs/dbraw/zinc/80/67/03/778806703.db2.gz GHUINVNYXMLKNF-VQFNDLOPSA-N 2 0 266.388 2.798 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2ncnc3c2C[NH2+]CC3)cc1 ZINC001236425221 778820584 /nfs/dbraw/zinc/82/05/84/778820584.db2.gz OWANNGCPKXQAKH-UHFFFAOYSA-N 2 0 296.418 2.535 20 0 CFADRP CCOCC[N@H+](Cc1cccc(C)c1C)C1CC[NH2+]CC1 ZINC001236460018 778833868 /nfs/dbraw/zinc/83/38/68/778833868.db2.gz LJGCAQKANRLOIZ-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP Nc1cc(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)ccn1 ZINC001236541755 778871515 /nfs/dbraw/zinc/87/15/15/778871515.db2.gz SSGFAKGAQGQCJI-WKILWMFISA-N 2 0 288.439 2.536 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001236616404 778895428 /nfs/dbraw/zinc/89/54/28/778895428.db2.gz MUKLDGUIHLEMKL-CVEARBPZSA-N 2 0 281.488 2.700 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C)n1 ZINC001232312180 778923089 /nfs/dbraw/zinc/92/30/89/778923089.db2.gz PLRYWHLRMJTIHK-UHFFFAOYSA-N 2 0 291.439 2.562 20 0 CFADRP CC[C@@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742792 778926056 /nfs/dbraw/zinc/92/60/56/778926056.db2.gz SJRUTCJPHKMVNW-BRWVUGGUSA-N 3 0 293.430 2.635 20 0 CFADRP CC(C)(C)C[N@H+](C[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767922 778930672 /nfs/dbraw/zinc/93/06/72/778930672.db2.gz KNCLNVWHRJDITL-BZUAXINKSA-N 2 0 281.488 2.747 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC001236829436 778956691 /nfs/dbraw/zinc/95/66/91/778956691.db2.gz KKBBWHCRRGDULM-FPMFFAJLSA-N 2 0 264.800 2.818 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)CCCO2)C[C@@H]1CC[NH2+]C1 ZINC001236833881 778958972 /nfs/dbraw/zinc/95/89/72/778958972.db2.gz CWDVGVPFHMAUJO-MRXNPFEDSA-N 2 0 288.435 2.833 20 0 CFADRP CCC[N@@H+](Cc1cccc(OCC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236833863 778959459 /nfs/dbraw/zinc/95/94/59/778959459.db2.gz CUNUOBNLOFJYKI-MRXNPFEDSA-N 2 0 276.424 2.907 20 0 CFADRP CCC[N@@H+](Cc1ccccc1OCC)C[C@H]1CC[NH2+]C1 ZINC001236835387 778959529 /nfs/dbraw/zinc/95/95/29/778959529.db2.gz MSJZMOWEGFISBO-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP C[NH+](C)C1CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168422085 778961037 /nfs/dbraw/zinc/96/10/37/778961037.db2.gz VCPVNXZTSSEBFP-KRWDZBQOSA-N 2 0 276.399 2.709 20 0 CFADRP CCC[N@@H+](Cc1ccc2c(c1)NCCC2)C[C@@H]1CC[NH2+]C1 ZINC001236842246 778962408 /nfs/dbraw/zinc/96/24/08/778962408.db2.gz CUJJMNGDQXXHTJ-MRXNPFEDSA-N 2 0 287.451 2.866 20 0 CFADRP CC(C)[N@H+](CC[C@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1 ZINC001236858345 778967176 /nfs/dbraw/zinc/96/71/76/778967176.db2.gz BERNWBQWXNYUQP-RDJZCZTQSA-N 2 0 276.424 2.837 20 0 CFADRP C[NH+]1CCN(c2cccc(C[N@@H+]3CCC34CCCC4)c2)CC1 ZINC001236887987 778973618 /nfs/dbraw/zinc/97/36/18/778973618.db2.gz SGVPUGDZTUFXII-UHFFFAOYSA-N 2 0 299.462 2.957 20 0 CFADRP C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)CC(C)(C)C ZINC001236898296 778977449 /nfs/dbraw/zinc/97/74/49/778977449.db2.gz KCHREPQKMROPKV-UHFFFAOYSA-N 2 0 289.467 2.916 20 0 CFADRP C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC001236897662 778977860 /nfs/dbraw/zinc/97/78/60/778977860.db2.gz FTLSNMPOPRCHLR-UHFFFAOYSA-N 2 0 287.451 2.813 20 0 CFADRP CC[N@H+](CCOC)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236903453 778979280 /nfs/dbraw/zinc/97/92/80/778979280.db2.gz ONRAMFGCMYFRLR-UHFFFAOYSA-N 2 0 293.798 2.994 20 0 CFADRP CC1=C[C@H](C)[C@@H](CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236925374 778982936 /nfs/dbraw/zinc/98/29/36/778982936.db2.gz XLJKKXQJHLKXOI-RCCFBDPRSA-N 2 0 293.499 2.594 20 0 CFADRP c1ccc(N2C[C@@H]3C[NH+](CC[C@@H]4CCCC[NH2+]4)C[C@H]3C2)cc1 ZINC001237037541 778994485 /nfs/dbraw/zinc/99/44/85/778994485.db2.gz JTSFMSQKIHZYMG-BZSNNMDCSA-N 2 0 299.462 2.587 20 0 CFADRP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2CCC[NH+](C)C ZINC001278049860 779007151 /nfs/dbraw/zinc/00/71/51/779007151.db2.gz UDPUDGDPZZHQBP-OKZBNKHCSA-N 2 0 295.515 2.913 20 0 CFADRP CC/C=C\CCCCC[N@@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237142023 779025742 /nfs/dbraw/zinc/02/57/42/779025742.db2.gz KZHSVXMKBHNPFO-QGZUEGPWSA-N 2 0 266.429 2.577 20 0 CFADRP CN(C)c1cccc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237153017 779026712 /nfs/dbraw/zinc/02/67/12/779026712.db2.gz AVULJAHJPBBGMT-SFHVURJKSA-N 2 0 287.451 2.859 20 0 CFADRP Fc1cccc2c1CC[C@]21CCC[N@H+](CCC2C[NH2+]C2)C1 ZINC001237190150 779044120 /nfs/dbraw/zinc/04/41/20/779044120.db2.gz ZQZWHMOWUVZAJQ-SFHVURJKSA-N 2 0 288.410 2.715 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@H]2Nc3ccc(Cl)cc3[C@@H]2C1 ZINC001237232055 779057154 /nfs/dbraw/zinc/05/71/54/779057154.db2.gz HZPABPADIMFLHB-DZGCQCFKSA-N 2 0 279.815 2.662 20 0 CFADRP CCOc1ccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237382782 779087229 /nfs/dbraw/zinc/08/72/29/779087229.db2.gz NHYZCJBTOSVGGQ-DOTOQJQBSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237384692 779089922 /nfs/dbraw/zinc/08/99/22/779089922.db2.gz XHMRAHAUYFHOPA-OCCSQVGLSA-N 2 0 250.411 2.630 20 0 CFADRP COc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237383834 779090002 /nfs/dbraw/zinc/09/00/02/779090002.db2.gz RXRLBKWEWRUICG-WMZOPIPTSA-N 2 0 288.435 2.702 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+]CC1CC[NH+](C)CC1 ZINC000691089236 779177798 /nfs/dbraw/zinc/17/77/98/779177798.db2.gz SXTSJGPLKMMNHN-UHFFFAOYSA-N 2 0 262.388 2.989 20 0 CFADRP C[N@@H+]1CCCC2(CC[NH+](CCc3ccc(O)cc3)CC2)C1 ZINC001278160929 779202387 /nfs/dbraw/zinc/20/23/87/779202387.db2.gz QJXJBFACBWOFBH-UHFFFAOYSA-N 2 0 288.435 2.743 20 0 CFADRP Cc1ccsc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699226736 779223719 /nfs/dbraw/zinc/22/37/19/779223719.db2.gz NXDPIFWMERBYOU-YHWZYXNKSA-N 2 0 250.411 2.677 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCC[NH+](CCCn3cccc3)C2)C1 ZINC001278188099 779253212 /nfs/dbraw/zinc/25/32/12/779253212.db2.gz CMNOKDFHFZKRNS-KRWDZBQOSA-N 2 0 275.440 2.686 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000699504360 779282941 /nfs/dbraw/zinc/28/29/41/779282941.db2.gz QUOLIMGHXJRALV-KURKYZTESA-N 2 0 288.435 2.523 20 0 CFADRP CC(C)(C)c1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166612 779324496 /nfs/dbraw/zinc/32/44/96/779324496.db2.gz UEKBYVJFNOHTFX-DOTOQJQBSA-N 2 0 258.409 2.907 20 0 CFADRP c1ccc(CCCCC[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235263159 779334910 /nfs/dbraw/zinc/33/49/10/779334910.db2.gz STHLHBOCDCZNLE-IAGOWNOFSA-N 2 0 258.409 2.693 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235271007 779336070 /nfs/dbraw/zinc/33/60/70/779336070.db2.gz OMCQRTZCWHVOPQ-DOTOQJQBSA-N 2 0 258.409 2.741 20 0 CFADRP CC[N@H+]1C[C@H]2CN(Cc3cnc(C4CC4)c(C)c3)C[C@H]2C1 ZINC001238630158 779355103 /nfs/dbraw/zinc/35/51/03/779355103.db2.gz COGVOSNXOPOXCN-CALCHBBNSA-N 2 0 285.435 2.651 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001168498195 779357068 /nfs/dbraw/zinc/35/70/68/779357068.db2.gz QZAFRXMMCXIDAV-PBHICJAKSA-N 2 0 276.399 2.784 20 0 CFADRP C[C@@H]([NH3+])c1ccccc1-c1ccnc(N2CC[NH+](C)CC2)c1 ZINC001238827390 779400260 /nfs/dbraw/zinc/40/02/60/779400260.db2.gz WAEXBVAOUQMJHZ-CQSZACIVSA-N 2 0 296.418 2.520 20 0 CFADRP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1(C)C ZINC001235928878 779409598 /nfs/dbraw/zinc/40/95/98/779409598.db2.gz DVKSYHOOPMTAQP-ARFHVFGLSA-N 2 0 262.441 2.910 20 0 CFADRP Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235936921 779411225 /nfs/dbraw/zinc/41/12/25/779411225.db2.gz HJZICCLJYXLILF-STQMWFEESA-N 2 0 264.800 2.690 20 0 CFADRP C[NH+](C)CCOc1ccc(C2=CCC[NH2+]CC2)cc1F ZINC001238951692 779424793 /nfs/dbraw/zinc/42/47/93/779424793.db2.gz XQGIDMVUFZEUAQ-UHFFFAOYSA-N 2 0 278.371 2.533 20 0 CFADRP Fc1ccc(Cl)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314253 779538815 /nfs/dbraw/zinc/53/88/15/779538815.db2.gz ADYBNJFSQWWHEZ-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP Cc1cccc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c1C ZINC001212335804 779617810 /nfs/dbraw/zinc/61/78/10/779617810.db2.gz KSYVJYKQNVZBKL-INIZCTEOSA-N 2 0 288.395 2.656 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CC1OC=CC1=S)CC2 ZINC001237180721 779673175 /nfs/dbraw/zinc/67/31/75/779673175.db2.gz ATXKZNGTFAQNFX-UHFFFAOYSA-N 2 0 280.437 2.876 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001239680735 779707134 /nfs/dbraw/zinc/70/71/34/779707134.db2.gz GGLJJHBYNISVNI-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)c1 ZINC001239804660 779787237 /nfs/dbraw/zinc/78/72/37/779787237.db2.gz UNLSLAYATHLNOR-INIZCTEOSA-N 2 0 271.339 2.771 20 0 CFADRP [NH3+]Cc1cncc(-c2ccccc2C2CC[NH2+]CC2)c1 ZINC001239806305 779788206 /nfs/dbraw/zinc/78/82/06/779788206.db2.gz BRVBSPPLZCNQGE-UHFFFAOYSA-N 2 0 267.376 2.674 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205211461 779924993 /nfs/dbraw/zinc/92/49/93/779924993.db2.gz UWQVQXSUPQUNIV-SJORKVTESA-N 2 0 282.472 2.935 20 0 CFADRP C[C@H]([NH3+])c1ccc(N2C[C@H](CC[NH3+])c3ccccc32)cn1 ZINC001168555434 779962794 /nfs/dbraw/zinc/96/27/94/779962794.db2.gz MHHHYOCRSKXKEZ-STQMWFEESA-N 2 0 282.391 2.685 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2c(F)cccc2F)CC1 ZINC000715510955 780009110 /nfs/dbraw/zinc/00/91/10/780009110.db2.gz RNFXOZPLVMMUJI-UHFFFAOYSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715514184 780009597 /nfs/dbraw/zinc/00/95/97/780009597.db2.gz UKSJUQPCAASGTJ-MCIONIFRSA-N 2 0 250.386 2.673 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]cc1C(F)(F)F ZINC001168600832 780030697 /nfs/dbraw/zinc/03/06/97/780030697.db2.gz FNOSBUXDTPLWKR-STQMWFEESA-N 2 0 287.329 2.807 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(O)cc1 ZINC000715533175 780098913 /nfs/dbraw/zinc/09/89/13/780098913.db2.gz NHIYHAACJLWDFV-GRTSSRMGSA-N 2 0 262.397 2.916 20 0 CFADRP C[N@@H+]1CCc2cc(-c3ccc4c(c3)CC[NH2+]C4)ccc2C1 ZINC001240457116 780178559 /nfs/dbraw/zinc/17/85/59/780178559.db2.gz OTXIGOIEUPYFOH-UHFFFAOYSA-N 2 0 278.399 2.987 20 0 CFADRP [NH3+]Cc1c[nH]c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc12 ZINC001240457707 780179402 /nfs/dbraw/zinc/17/94/02/780179402.db2.gz CMGMLFUZFMLJFT-UHFFFAOYSA-N 2 0 277.371 2.939 20 0 CFADRP c1cc(C2=CC[NH2+]CC2)cc2c1CCC21CC[NH2+]CC1 ZINC001240468537 780185809 /nfs/dbraw/zinc/18/58/09/780185809.db2.gz TXBXOWDZDJEEIN-UHFFFAOYSA-N 2 0 268.404 2.631 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168680568 780313241 /nfs/dbraw/zinc/31/32/41/780313241.db2.gz VGYPRZLRQLUWAT-CYBMUJFWSA-N 2 0 266.816 2.739 20 0 CFADRP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168684176 780321594 /nfs/dbraw/zinc/32/15/94/780321594.db2.gz GOHMVEXYTHSABR-ZIAGYGMSSA-N 2 0 278.827 2.881 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCC2 ZINC000453149191 780418660 /nfs/dbraw/zinc/41/86/60/780418660.db2.gz ZTJJCDDDKARTFN-DLBZAZTESA-N 2 0 292.467 2.941 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001205046294 780463669 /nfs/dbraw/zinc/46/36/69/780463669.db2.gz BOLIPJDRKYADJX-UHFFFAOYSA-N 2 0 269.392 2.648 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3cccc(CC[NH3+])c3)cc2)CC1 ZINC001240854095 780477512 /nfs/dbraw/zinc/47/75/12/780477512.db2.gz FIVSRVNFUWVVKK-UHFFFAOYSA-N 2 0 295.430 2.607 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC001240851977 780477713 /nfs/dbraw/zinc/47/77/13/780477713.db2.gz HLGLPPAFILGAEE-UHFFFAOYSA-N 2 0 293.414 2.709 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(C=C3CC[NH2+]CC3)cc2)CC1 ZINC001240877677 780496333 /nfs/dbraw/zinc/49/63/33/780496333.db2.gz MAUHIYBEEBZYOF-UHFFFAOYSA-N 3 0 299.462 2.624 20 0 CFADRP c1cnc2cccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)c2c1 ZINC001240938376 780536635 /nfs/dbraw/zinc/53/66/35/780536635.db2.gz PIAHCHBMFWPELU-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168743439 780599469 /nfs/dbraw/zinc/59/94/69/780599469.db2.gz KWFUTVPNPAAFLA-JKIFEVAISA-N 2 0 290.838 2.691 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)C1 ZINC000700798710 780720868 /nfs/dbraw/zinc/72/08/68/780720868.db2.gz BCYADOIIMDBOJU-FFHGMXDLSA-N 2 0 268.470 2.735 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCc2cccs2)CC[C@H]1C(F)(F)F ZINC000700817033 780727018 /nfs/dbraw/zinc/72/70/18/780727018.db2.gz PCGYVSLXXZMFGL-CMPLNLGQSA-N 2 0 292.370 2.750 20 0 CFADRP C[N@H+](CCC[NH2+]C1CCC(C)(O)CC1)C1CCCCC1 ZINC000702973906 780973965 /nfs/dbraw/zinc/97/39/65/780973965.db2.gz XVDITTBKDXCQER-UHFFFAOYSA-N 2 0 282.472 2.924 20 0 CFADRP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C1CCC(C)(O)CC1 ZINC000702966198 780976191 /nfs/dbraw/zinc/97/61/91/780976191.db2.gz BWKCHIAGVGXMFN-NPCAHTBFSA-N 2 0 279.428 2.581 20 0 CFADRP C[NH+](C)CCc1c[nH]c2ccc(C3=CCC[N@H+](C)C3)cc12 ZINC001241572260 780989022 /nfs/dbraw/zinc/98/90/22/780989022.db2.gz QXIRFWQDJNKHSN-UHFFFAOYSA-N 2 0 283.419 2.991 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2ncnc3c2C[NH2+]C3)cc1 ZINC001241572912 780990841 /nfs/dbraw/zinc/99/08/41/780990841.db2.gz DTHLZCMPSDFWOL-UHFFFAOYSA-N 2 0 282.391 2.589 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000703806347 781065033 /nfs/dbraw/zinc/06/50/33/781065033.db2.gz UQAJRTDDBXUAHD-CVSAEHQPSA-N 2 0 266.429 2.582 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CCSC2)CC1 ZINC000704771560 781114812 /nfs/dbraw/zinc/11/48/12/781114812.db2.gz NECNLHVVUUTCKV-CYBMUJFWSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000706456862 781175750 /nfs/dbraw/zinc/17/57/50/781175750.db2.gz RKIYUZQIKXZABN-GHMZBOCLSA-N 2 0 250.411 2.767 20 0 CFADRP C[NH+](C)Cc1c[nH]c2ncc(-c3ccc(C[NH3+])cc3)cc12 ZINC001241917078 781179720 /nfs/dbraw/zinc/17/97/20/781179720.db2.gz MVWWWIZWEURPDP-UHFFFAOYSA-N 2 0 280.375 2.750 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cc1 ZINC001241918415 781180633 /nfs/dbraw/zinc/18/06/33/781180633.db2.gz VCMSBHAQKDPGEM-UHFFFAOYSA-N 3 0 295.430 2.735 20 0 CFADRP Cc1cc(-c2ccccc2CN2CC[C@H]([NH3+])C2)cc(C)n1 ZINC001241996255 781223072 /nfs/dbraw/zinc/22/30/72/781223072.db2.gz VSZTXMRZUAOJNJ-KRWDZBQOSA-N 2 0 281.403 2.898 20 0 CFADRP C[N@@H+]1CCc2ccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2C1 ZINC001242027766 781240985 /nfs/dbraw/zinc/24/09/85/781240985.db2.gz JXYVDBMHVCQRFK-SJORKVTESA-N 2 0 254.377 2.582 20 0 CFADRP CS[C@H]1CCCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000707332394 781242784 /nfs/dbraw/zinc/24/27/84/781242784.db2.gz XZBCHBQEVPBXIF-DKUMPPAJSA-N 2 0 268.470 2.735 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000708362842 781272402 /nfs/dbraw/zinc/27/24/02/781272402.db2.gz VBPORLYEMGINCV-CVEARBPZSA-N 2 0 280.456 2.513 20 0 CFADRP c1cc(C[NH+]2CCCC2)cc(-c2ccc3c(n2)CC[NH2+]C3)c1 ZINC001242116506 781288070 /nfs/dbraw/zinc/28/80/70/781288070.db2.gz JWBVYEZHOJFXAA-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C(C)(C)O1 ZINC000709702069 781302277 /nfs/dbraw/zinc/30/22/77/781302277.db2.gz JFLURXCXFKOGKD-YJNKXOJESA-N 2 0 280.456 2.639 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709704845 781302482 /nfs/dbraw/zinc/30/24/82/781302482.db2.gz ZUZFSSGRARXBID-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccccc2CC[NH3+])cc1 ZINC001242150666 781303239 /nfs/dbraw/zinc/30/32/39/781303239.db2.gz OTDUIFXVJQDXHW-UHFFFAOYSA-N 2 0 284.403 2.795 20 0 CFADRP C[N@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CCC([NH3+])CC1 ZINC000709731511 781303624 /nfs/dbraw/zinc/30/36/24/781303624.db2.gz AZIGMIVRGJAABX-HSBZDZAISA-N 2 0 268.445 2.782 20 0 CFADRP CSC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000709318870 781309202 /nfs/dbraw/zinc/30/92/02/781309202.db2.gz PVXBBSDRJYTLLU-PBWFPOADSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](CCCCCC[NH3+])C1 ZINC000709598935 781315450 /nfs/dbraw/zinc/31/54/50/781315450.db2.gz OTMQCILTFASZCT-LLVKDONJSA-N 2 0 252.324 2.780 20 0 CFADRP c1csc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000710539626 781317403 /nfs/dbraw/zinc/31/74/03/781317403.db2.gz OAZXVUIRWFJIRF-NUDNTCICSA-N 2 0 291.464 2.853 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C2CC(c3ccccc3)C2)C12CCC2 ZINC000709827521 781319663 /nfs/dbraw/zinc/31/96/63/781319663.db2.gz JPGNMDUJIQPEOO-CKUJCDMFSA-N 2 0 256.393 2.792 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709922177 781322589 /nfs/dbraw/zinc/32/25/89/781322589.db2.gz YMYDCHUGISAXPB-TZMCWYRMSA-N 2 0 260.372 2.743 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709922169 781323037 /nfs/dbraw/zinc/32/30/37/781323037.db2.gz YMYDCHUGISAXPB-GXTWGEPZSA-N 2 0 260.372 2.743 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000710263055 781331627 /nfs/dbraw/zinc/33/16/27/781331627.db2.gz RJDUKBOZMCNNOE-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000710771816 781338052 /nfs/dbraw/zinc/33/80/52/781338052.db2.gz WMSIVWJQXSHPKZ-SUMWQHHRSA-N 2 0 258.409 2.646 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](CC)CO1 ZINC000710896711 781344118 /nfs/dbraw/zinc/34/41/18/781344118.db2.gz CWPBQQVSYBILJC-ZIAGYGMSSA-N 2 0 294.464 2.783 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)OC1 ZINC000711360137 781416006 /nfs/dbraw/zinc/41/60/06/781416006.db2.gz MXFOIFVYNGFAOM-LVQVYYBASA-N 2 0 280.456 2.702 20 0 CFADRP COC(=O)C1(C)CCC([NH2+]C2CCC(CC[NH3+])CC2)CC1 ZINC001168762615 781457126 /nfs/dbraw/zinc/45/71/26/781457126.db2.gz WBWBRHQPKFOXBC-UHFFFAOYSA-N 2 0 296.455 2.606 20 0 CFADRP C(C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000711928618 781488971 /nfs/dbraw/zinc/48/89/71/781488971.db2.gz ZQLYQEZEDHBZLK-SJORKVTESA-N 2 0 280.456 2.657 20 0 CFADRP c1ccc(COC[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)cc1 ZINC000383623468 781504382 /nfs/dbraw/zinc/50/43/82/781504382.db2.gz SHIABRBVUNGKRX-KRWDZBQOSA-N 2 0 288.435 2.667 20 0 CFADRP c1cc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc2c1C[NH2+]CCO2 ZINC001242689212 781698056 /nfs/dbraw/zinc/69/80/56/781698056.db2.gz PAKCQTIKTPHFGA-MRXNPFEDSA-N 2 0 299.418 2.595 20 0 CFADRP [NH3+]Cc1ccc(C2=CC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC001242692784 781700298 /nfs/dbraw/zinc/70/02/98/781700298.db2.gz NLFLUENHLGKZNW-MRXNPFEDSA-N 2 0 257.381 2.572 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3nccs3)cc2)CC1 ZINC001242898376 781830047 /nfs/dbraw/zinc/83/00/47/781830047.db2.gz ZRZKUJKVVFLIGB-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP CSc1ccccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001242946255 781863308 /nfs/dbraw/zinc/86/33/08/781863308.db2.gz QPNQDZLXJWGQEN-UHFFFAOYSA-N 2 0 285.416 2.880 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC001242990961 781902778 /nfs/dbraw/zinc/90/27/78/781902778.db2.gz VLFZNLIHOOIMLE-INIZCTEOSA-N 2 0 267.376 2.893 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594510093 349435252 /nfs/dbraw/zinc/43/52/52/349435252.db2.gz PERBERZMESFYDV-GMXVVIOVSA-N 2 0 296.436 2.526 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000124411487 187136938 /nfs/dbraw/zinc/13/69/38/187136938.db2.gz UQUXGWAXLGLXBF-KEYYUXOJSA-N 2 0 276.424 2.651 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459808673 282087455 /nfs/dbraw/zinc/08/74/55/282087455.db2.gz SGXZNTVZJJMPOF-CHWSQXEVSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000124517973 187141363 /nfs/dbraw/zinc/14/13/63/187141363.db2.gz XDVBUYBRFNMSHR-OEUWWYETSA-N 2 0 294.414 2.911 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1C ZINC000273054847 192032076 /nfs/dbraw/zinc/03/20/76/192032076.db2.gz KHZKHBSAMQVRET-KBPBESRZSA-N 2 0 264.413 2.994 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595016202 349550874 /nfs/dbraw/zinc/55/08/74/349550874.db2.gz IGJSDUXMCTUFSX-LSDHHAIUSA-N 2 0 298.471 2.676 20 0 CFADRP C[C@@H](CSCCF)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000595020716 349553202 /nfs/dbraw/zinc/55/32/02/349553202.db2.gz ZLHMRXWJCXOARB-LBPRGKRZSA-N 2 0 274.449 2.542 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595003796 349544110 /nfs/dbraw/zinc/54/41/10/349544110.db2.gz KHOGPUZJXMMWAW-LBPRGKRZSA-N 2 0 262.438 2.542 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000595045213 349562931 /nfs/dbraw/zinc/56/29/31/349562931.db2.gz ROIKTCJXFMCGSJ-WLYUNCDWSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000595048888 349563862 /nfs/dbraw/zinc/56/38/62/349563862.db2.gz SFAZWEIKXUMZKK-LBPRGKRZSA-N 2 0 274.449 2.542 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125256891 187176379 /nfs/dbraw/zinc/17/63/79/187176379.db2.gz FNNOMFFWFLHRPV-SDNTUTLCSA-N 2 0 274.408 2.815 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125343563 187180765 /nfs/dbraw/zinc/18/07/65/187180765.db2.gz YWQFUOYGVDBYOJ-IMJJTQAJSA-N 2 0 276.449 2.968 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000125357722 187181268 /nfs/dbraw/zinc/18/12/68/187181268.db2.gz TWHJHSZTOVXLBA-CQSZACIVSA-N 2 0 264.413 2.922 20 0 CFADRP Cn1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000125446367 187185320 /nfs/dbraw/zinc/18/53/20/187185320.db2.gz LBOILMUKKDHGDZ-UHFFFAOYSA-N 2 0 263.429 2.771 20 0 CFADRP CCC(CC)[N@H+](CCOC)CC[C@@H]1CCC[NH2+]C1 ZINC000051919330 282184182 /nfs/dbraw/zinc/18/41/82/282184182.db2.gz QNYCRGXADCGRRX-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000268709576 536665684 /nfs/dbraw/zinc/66/56/84/536665684.db2.gz DFOMXNJXPVEMKI-INIZCTEOSA-N 2 0 278.440 2.913 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1Cl ZINC000354172815 282185635 /nfs/dbraw/zinc/18/56/35/282185635.db2.gz RDDCGNSMILGXKU-OLZOCXBDSA-N 2 0 279.815 2.964 20 0 CFADRP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)(F)F ZINC000423189471 529489847 /nfs/dbraw/zinc/48/98/47/529489847.db2.gz REPDMUYBAVIVHY-YIBTVLSRSA-N 2 0 264.335 2.838 20 0 CFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000070183602 346907393 /nfs/dbraw/zinc/90/73/93/346907393.db2.gz BHXLSPSRRFVXHG-GFCCVEGCSA-N 2 0 250.361 2.948 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348107860 282194709 /nfs/dbraw/zinc/19/47/09/282194709.db2.gz JDTIZQCZSQUNNG-WUHRBBMRSA-N 2 0 294.361 2.559 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414920575 529567551 /nfs/dbraw/zinc/56/75/51/529567551.db2.gz ZRJIAGKZNSQNLY-KRWDZBQOSA-N 2 0 276.424 2.737 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000423246032 529605551 /nfs/dbraw/zinc/60/55/51/529605551.db2.gz JQMRYMWHWKDCSD-WFASDCNBSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]CCc1cc(C)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422779259 529606314 /nfs/dbraw/zinc/60/63/14/529606314.db2.gz FPHXKBZLOYIFES-HOTGVXAUSA-N 2 0 276.424 2.666 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423251209 529606328 /nfs/dbraw/zinc/60/63/28/529606328.db2.gz RPGAWSLWKCIORT-CJNGLKHVSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@H]([NH2+]CCc1cccc2cccnc21)[C@@H]1CCC[NH2+]1 ZINC000422819148 529608052 /nfs/dbraw/zinc/60/80/52/529608052.db2.gz MLUHCWUCOMPSIU-IRXDYDNUSA-N 2 0 283.419 2.898 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422755810 529610813 /nfs/dbraw/zinc/61/08/13/529610813.db2.gz HDWKKYMKZJJXDH-NJAFHUGGSA-N 2 0 290.451 2.960 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423269319 529623684 /nfs/dbraw/zinc/62/36/84/529623684.db2.gz FKKYFDFZRLQWOT-AEGPPILISA-N 2 0 261.413 2.812 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422752805 529630165 /nfs/dbraw/zinc/63/01/65/529630165.db2.gz HJICWSXKNNHXRX-SJORKVTESA-N 2 0 260.425 2.899 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422836266 529613012 /nfs/dbraw/zinc/61/30/12/529613012.db2.gz QTZUBNPJLGUPIT-IKGGRYGDSA-N 2 0 275.440 2.941 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423461436 529614332 /nfs/dbraw/zinc/61/43/32/529614332.db2.gz CNBGWJOHOVIIPP-XBFCOCLRSA-N 2 0 265.376 2.779 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000071297764 346921632 /nfs/dbraw/zinc/92/16/32/346921632.db2.gz CZALRSGCBZOGEE-CVEARBPZSA-N 2 0 296.455 2.574 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1c(C)nn(C)c1C ZINC000422798444 529649420 /nfs/dbraw/zinc/64/94/20/529649420.db2.gz RCIZBZIUCIPBKB-FZMZJTMJSA-N 2 0 266.433 2.595 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1nnc2n1CCCCC2 ZINC000422911847 529649521 /nfs/dbraw/zinc/64/95/21/529649521.db2.gz UNOUOYHGCRGDJD-KBPBESRZSA-N 2 0 293.459 2.563 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@@H]1CC1(C)C ZINC000414064660 529682156 /nfs/dbraw/zinc/68/21/56/529682156.db2.gz FASXKWOKLWJSLL-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H](CC1CC1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290370277 197687288 /nfs/dbraw/zinc/68/72/88/197687288.db2.gz RHTHVDOGJGNFFY-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@@H](C[NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000294986791 199285474 /nfs/dbraw/zinc/28/54/74/199285474.db2.gz GTUTZXHGAACQKP-LBPRGKRZSA-N 2 0 280.362 2.920 20 0 CFADRP O[C@@H](CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000290441211 197709990 /nfs/dbraw/zinc/70/99/90/197709990.db2.gz VNLWKXSPUHFUCE-WMZOPIPTSA-N 2 0 288.435 2.528 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423047372 282246591 /nfs/dbraw/zinc/24/65/91/282246591.db2.gz VBNOALJNEFOLDP-XZDPQHSOSA-N 2 0 268.445 2.700 20 0 CFADRP CN(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000422720368 282246919 /nfs/dbraw/zinc/24/69/19/282246919.db2.gz ZHHCYTQTIYZRHN-QWFMPGPPSA-N 2 0 293.430 2.536 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCCCC1 ZINC000335151510 282250840 /nfs/dbraw/zinc/25/08/40/282250840.db2.gz ZSCUWQQUEUGFFH-UHFFFAOYSA-N 2 0 256.353 2.562 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cncc(F)c1 ZINC000126697128 187256228 /nfs/dbraw/zinc/25/62/28/187256228.db2.gz KAIWDJBVEJESRE-RJPYNODJSA-N 2 0 277.387 2.887 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000335181745 282251746 /nfs/dbraw/zinc/25/17/46/282251746.db2.gz OUAYHVDAHVDLMQ-STQMWFEESA-N 2 0 270.380 2.949 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000423248821 529706525 /nfs/dbraw/zinc/70/65/25/529706525.db2.gz NWYCWVPTDDLWMK-VXGBXAGGSA-N 2 0 252.427 2.961 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)o1 ZINC000423260984 529721346 /nfs/dbraw/zinc/72/13/46/529721346.db2.gz RBSGLCJFRQTCEL-STQMWFEESA-N 2 0 250.386 2.882 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cs1 ZINC000422905546 529735081 /nfs/dbraw/zinc/73/50/81/529735081.db2.gz SJKSPCPWACNUHA-LSDHHAIUSA-N 2 0 287.432 2.982 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423220627 529747434 /nfs/dbraw/zinc/74/74/34/529747434.db2.gz YNXGEGZYFUCVMB-NEPJUHHUSA-N 2 0 279.453 2.672 20 0 CFADRP CCc1ncc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000414276532 529755216 /nfs/dbraw/zinc/75/52/16/529755216.db2.gz ADTJLTPEZZBJBK-OAHLLOKOSA-N 2 0 290.455 2.641 20 0 CFADRP CCc1ncc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000414276531 529755321 /nfs/dbraw/zinc/75/53/21/529755321.db2.gz ADTJLTPEZZBJBK-HNNXBMFYSA-N 2 0 290.455 2.641 20 0 CFADRP CN(C)c1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000422802829 529772826 /nfs/dbraw/zinc/77/28/26/529772826.db2.gz DZYGIBCJRDBZAF-XJKSGUPXSA-N 2 0 298.434 2.518 20 0 CFADRP C[C@@H]1C[C@H](N(C)CC[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000295069446 199329194 /nfs/dbraw/zinc/32/91/94/199329194.db2.gz QBZCIKDGYMSRAK-SJLPKXTDSA-N 2 0 289.467 2.533 20 0 CFADRP CN(CCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422743612 529883957 /nfs/dbraw/zinc/88/39/57/529883957.db2.gz UNSFPLYJQJEJRX-DOTOQJQBSA-N 2 0 275.440 2.620 20 0 CFADRP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000422711497 529891619 /nfs/dbraw/zinc/89/16/19/529891619.db2.gz HBAKRUIIEMTCIK-YIONKMFJSA-N 2 0 291.414 2.525 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1F ZINC000422713389 529891819 /nfs/dbraw/zinc/89/18/19/529891819.db2.gz JPXNLULJANGDRC-GOEBONIOSA-N 2 0 293.430 2.759 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCCCCC1 ZINC000426228180 529931671 /nfs/dbraw/zinc/93/16/71/529931671.db2.gz TYVUMKZWPSQJAT-MRXNPFEDSA-N 2 0 282.472 2.878 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)C[NH+]1CCCCC1 ZINC000348100161 539383969 /nfs/dbraw/zinc/38/39/69/539383969.db2.gz FDCKMOGZABBILJ-KBMXLJTQSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348108078 539386462 /nfs/dbraw/zinc/38/64/62/539386462.db2.gz WUKYFXSPUGBLDZ-CVEARBPZSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000414858227 529971454 /nfs/dbraw/zinc/97/14/54/529971454.db2.gz IFNHIUNBZMTHEG-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423198669 529971544 /nfs/dbraw/zinc/97/15/44/529971544.db2.gz HCXWXZJGWWYZCD-ZDUSSCGKSA-N 2 0 288.313 2.772 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000414840844 529985303 /nfs/dbraw/zinc/98/53/03/529985303.db2.gz NPYAZSPZYZUFBJ-CYBMUJFWSA-N 2 0 272.392 2.794 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000414850886 529985351 /nfs/dbraw/zinc/98/53/51/529985351.db2.gz ZSWOMVLXHOXXEA-SNVBAGLBSA-N 2 0 285.229 2.703 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000423268319 529986178 /nfs/dbraw/zinc/98/61/78/529986178.db2.gz FYYLFUCPZLFLSP-GHMZBOCLSA-N 2 0 285.229 2.955 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCSc2ccccc21 ZINC000423276681 529986261 /nfs/dbraw/zinc/98/62/61/529986261.db2.gz ORWILXNFBANBRV-YPMHNXCESA-N 2 0 250.411 2.669 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423283148 529986382 /nfs/dbraw/zinc/98/63/82/529986382.db2.gz XINQIBMLXQVQAW-YGRLFVJLSA-N 2 0 252.789 2.772 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000414846274 529998731 /nfs/dbraw/zinc/99/87/31/529998731.db2.gz UNTUQSAJSPLPPC-VIFPVBQESA-N 2 0 278.293 2.790 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414831105 529998834 /nfs/dbraw/zinc/99/88/34/529998834.db2.gz CADHKNMNYKBFNN-RYUDHWBXSA-N 2 0 299.256 2.825 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423282673 529998976 /nfs/dbraw/zinc/99/89/76/529998976.db2.gz WQVHJRSKGXLLDE-IHRRRGAJSA-N 2 0 294.439 2.641 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000423280334 529999024 /nfs/dbraw/zinc/99/90/24/529999024.db2.gz UOSSJZWUJCTNKZ-KBPBESRZSA-N 2 0 286.423 2.687 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414834661 529999095 /nfs/dbraw/zinc/99/90/95/529999095.db2.gz HKGIVWCWNXSSJY-AWEZNQCLSA-N 2 0 269.392 2.694 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423280617 529999811 /nfs/dbraw/zinc/99/98/11/529999811.db2.gz UXUDLWAHFPFFOS-ZMSDIMECSA-N 2 0 276.424 2.599 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000414852305 530000038 /nfs/dbraw/zinc/00/00/38/530000038.db2.gz QTHDNRWGZQNZHW-BHYGNILZSA-N 2 0 260.425 2.942 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000414928488 539401916 /nfs/dbraw/zinc/40/19/16/539401916.db2.gz QBLZBVDXZCNVHI-QWRGUYRKSA-N 2 0 256.752 2.839 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000414178441 530055114 /nfs/dbraw/zinc/05/51/14/530055114.db2.gz JUYJUSKXRDBWFW-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)C1CC[NH+](C)CC1 ZINC000324716716 539419720 /nfs/dbraw/zinc/41/97/20/539419720.db2.gz XNPFFXITEUDCQX-BLLLJJGKSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@H+](CC1(c2ccccc2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261695226 282386039 /nfs/dbraw/zinc/38/60/39/282386039.db2.gz BSXARQFYLURCPN-INIZCTEOSA-N 2 0 258.409 2.650 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127364272 187300813 /nfs/dbraw/zinc/30/08/13/187300813.db2.gz DJVZFYMFQKVYCA-CVEARBPZSA-N 2 0 289.467 2.536 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCCC1 ZINC000348428114 539466309 /nfs/dbraw/zinc/46/63/09/539466309.db2.gz XVLIVIYKCFCZSN-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000089551141 539469961 /nfs/dbraw/zinc/46/99/61/539469961.db2.gz CZFCSXOHKZBOTE-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000127454837 187307953 /nfs/dbraw/zinc/30/79/53/187307953.db2.gz FTQKUTDBQUYXTR-KQTLUZQSSA-N 2 0 294.414 2.911 20 0 CFADRP COCCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000123155898 539486315 /nfs/dbraw/zinc/48/63/15/539486315.db2.gz OZOSLLKVWBCWAU-AWEZNQCLSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cnc(CCN(C)CCC[NH+]2CCCCC2)s1 ZINC000162066919 232253641 /nfs/dbraw/zinc/25/36/41/232253641.db2.gz SDFMJHPLGDMPJX-UHFFFAOYSA-N 2 0 281.469 2.802 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1C ZINC000123960052 539513550 /nfs/dbraw/zinc/51/35/50/539513550.db2.gz HUDRVPQNFJGMPB-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP c1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000124008716 539513887 /nfs/dbraw/zinc/51/38/87/539513887.db2.gz GTIYJDZRMAPTHV-HUUCEWRRSA-N 2 0 256.393 2.564 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000178242710 232376524 /nfs/dbraw/zinc/37/65/24/232376524.db2.gz HTQNSYWDEGOPGI-STQMWFEESA-N 2 0 289.423 2.671 20 0 CFADRP CC(C)c1nnc(CN2CCC(n3ccnc3)CC2)s1 ZINC000295127203 199359046 /nfs/dbraw/zinc/35/90/46/199359046.db2.gz XOXRSIBSPPWRRE-UHFFFAOYSA-N 2 0 291.424 2.695 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000075642686 347089924 /nfs/dbraw/zinc/08/99/24/347089924.db2.gz HPQUYIGJYWALAU-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP Clc1cccc(CC[NH2+]CCC[NH+]2CCCC2)c1 ZINC000124290901 539543456 /nfs/dbraw/zinc/54/34/56/539543456.db2.gz YKQCCNXJONDPRZ-UHFFFAOYSA-N 2 0 266.816 2.958 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(C(=O)OC)cc1 ZINC000596654933 349969174 /nfs/dbraw/zinc/96/91/74/349969174.db2.gz RNAKFYORODGWEE-HZPDHXFCSA-N 2 0 292.423 2.887 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc(F)c(Cl)c1 ZINC000053157903 346539586 /nfs/dbraw/zinc/53/95/86/346539586.db2.gz BCPUJIWYUBYIRF-GXSJLCMTSA-N 2 0 256.752 2.791 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563422699 290148613 /nfs/dbraw/zinc/14/86/13/290148613.db2.gz AOKLQCMAHSUWDO-OWCLPIDISA-N 2 0 267.461 2.501 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])Nc2ccccc2)C1 ZINC000066243376 346751055 /nfs/dbraw/zinc/75/10/55/346751055.db2.gz YTGXACYYJKSJBL-GASCZTMLSA-N 2 0 288.439 2.991 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCN(C)c2ccccc2)C1 ZINC000085823923 179184142 /nfs/dbraw/zinc/18/41/42/179184142.db2.gz OCSXGUYHXFSYLT-KRWDZBQOSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400973650 232678547 /nfs/dbraw/zinc/67/85/47/232678547.db2.gz QQFRVEPGXJQODD-BZZMCLGOSA-N 2 0 272.436 2.985 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COc2ccccc21 ZINC000090844822 347558279 /nfs/dbraw/zinc/55/82/79/347558279.db2.gz DCDLIDALDJUNGD-HWMZRRJGSA-N 2 0 286.419 2.768 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000091369089 347583969 /nfs/dbraw/zinc/58/39/69/347583969.db2.gz ZJVRVEVSGGABJD-DLBZAZTESA-N 2 0 293.455 2.725 20 0 CFADRP c1c2ccccc2[nH]c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090576799 347551800 /nfs/dbraw/zinc/55/18/00/347551800.db2.gz YDPJZIZLSXTMHG-NVXWUHKLSA-N 2 0 283.419 2.927 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCn1ccnc1 ZINC000093516217 347678975 /nfs/dbraw/zinc/67/89/75/347678975.db2.gz FCURYBUGIYOTNZ-HZPDHXFCSA-N 2 0 278.444 2.564 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000093211538 347665735 /nfs/dbraw/zinc/66/57/35/347665735.db2.gz VVFGQMDNJQEIHS-ADEWGFFLSA-N 2 0 254.324 2.885 20 0 CFADRP c1ccc2c(c1)-c1ccccc1C2[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107855357 347736911 /nfs/dbraw/zinc/73/69/11/347736911.db2.gz DZHUDTQDKRHCPA-ZIAGYGMSSA-N 2 0 276.383 2.908 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000110649227 347749478 /nfs/dbraw/zinc/74/94/78/347749478.db2.gz UDHLIKGPGDSADU-SNVBAGLBSA-N 2 0 296.798 2.628 20 0 CFADRP C[C@@H]([NH2+]CCCF)c1ccc(OCC[NH+](C)C)cc1 ZINC000127021713 347838474 /nfs/dbraw/zinc/83/84/74/347838474.db2.gz JTCXVTOGCSNPOJ-CYBMUJFWSA-N 2 0 268.376 2.637 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000127607515 347842781 /nfs/dbraw/zinc/84/27/81/347842781.db2.gz MPPYFHCRBUWBDD-KGLIPLIRSA-N 2 0 264.388 2.861 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(F)cc2)C1 ZINC000127607248 347842906 /nfs/dbraw/zinc/84/29/06/347842906.db2.gz MPPYFHCRBUWBDD-ZIAGYGMSSA-N 2 0 264.388 2.861 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CO2 ZINC000090452799 539574018 /nfs/dbraw/zinc/57/40/18/539574018.db2.gz YDMSSGMEBYXCBI-CZUORRHYSA-N 2 0 274.408 2.748 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000131768792 347880967 /nfs/dbraw/zinc/88/09/67/347880967.db2.gz KLTFXVGUDSBRAZ-OLZOCXBDSA-N 2 0 282.815 2.778 20 0 CFADRP CC1CCC([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136232878 347909545 /nfs/dbraw/zinc/90/95/45/347909545.db2.gz AKWSYYVOHXQEPB-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000154812628 347982712 /nfs/dbraw/zinc/98/27/12/347982712.db2.gz QDHJVMYIGJCWJX-DZGCQCFKSA-N 2 0 270.486 2.982 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166317249 348041729 /nfs/dbraw/zinc/04/17/29/348041729.db2.gz IRZSJXVLFZAJHH-SZMVWBNQSA-N 2 0 288.435 2.838 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000223196626 348174288 /nfs/dbraw/zinc/17/42/88/348174288.db2.gz NMHKCXOMTVIBOW-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP COc1ccc(CNCCC[N@H+](C)C(C)C)c(F)c1 ZINC000226390661 348182794 /nfs/dbraw/zinc/18/27/94/348182794.db2.gz PLJIBNPWLQPGJH-UHFFFAOYSA-N 2 0 268.376 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)C1 ZINC000245902990 348258823 /nfs/dbraw/zinc/25/88/23/348258823.db2.gz OEWLKSPJPPUCEK-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250659027 348288465 /nfs/dbraw/zinc/28/84/65/348288465.db2.gz CZALRSGCBZOGEE-JKSUJKDBSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[NH+](C)C)CCC2 ZINC000360859608 293430959 /nfs/dbraw/zinc/43/09/59/293430959.db2.gz NVVVJQZHKFAZGW-LBPRGKRZSA-N 2 0 267.442 2.760 20 0 CFADRP CSC1(C[NH2+][C@@H](C)CC2CCC2)CC[NH+](C)CC1 ZINC000589348030 348828181 /nfs/dbraw/zinc/82/81/81/348828181.db2.gz FETMDEAHZHYQFG-ZDUSSCGKSA-N 2 0 270.486 2.982 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000564713459 290226115 /nfs/dbraw/zinc/22/61/15/290226115.db2.gz LHZDPMRMSJAHTI-DGCLKSJQSA-N 2 0 265.426 2.628 20 0 CFADRP Cc1cccc(C)c1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000590125590 348876426 /nfs/dbraw/zinc/87/64/26/348876426.db2.gz BBLGSDPAROKUIZ-UHFFFAOYSA-N 2 0 290.451 2.956 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000397395243 539696222 /nfs/dbraw/zinc/69/62/22/539696222.db2.gz GCMLFBIBGHWHTI-NXNVCVFFSA-N 2 0 276.424 2.679 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000591708141 349039220 /nfs/dbraw/zinc/03/92/20/349039220.db2.gz WYQIKGUALAXQLW-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000127170192 539714499 /nfs/dbraw/zinc/71/44/99/539714499.db2.gz XSMIYEGYMQKKFA-NWDGAFQWSA-N 2 0 268.401 2.587 20 0 CFADRP CSCC1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000593320578 349246666 /nfs/dbraw/zinc/24/66/66/349246666.db2.gz UGCRAYVTQFZCBT-UHFFFAOYSA-N 2 0 256.459 2.627 20 0 CFADRP COCC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000088521656 539732551 /nfs/dbraw/zinc/73/25/51/539732551.db2.gz RDPCYRDDSIKCQZ-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000597257518 350074402 /nfs/dbraw/zinc/07/44/02/350074402.db2.gz UKXIQPNTRPUQTJ-AWEZNQCLSA-N 2 0 268.470 2.594 20 0 CFADRP CCSC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000597222086 350061322 /nfs/dbraw/zinc/06/13/22/350061322.db2.gz BVXMZWDQVQQASB-UHFFFAOYSA-N 2 0 291.464 2.926 20 0 CFADRP Cc1cc(CN2CCC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000414649846 233314687 /nfs/dbraw/zinc/31/46/87/233314687.db2.gz CNYZUORSDTXXPK-LBPRGKRZSA-N 2 0 272.314 2.937 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CCN1CC2(C1)CC(F)(F)C2 ZINC000677733491 539763656 /nfs/dbraw/zinc/76/36/56/539763656.db2.gz LNEXFTFTUFHIOF-LBPRGKRZSA-N 2 0 258.356 2.592 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000414659547 233317651 /nfs/dbraw/zinc/31/76/51/233317651.db2.gz NHIODXMZHAMWMF-INMHGKMJSA-N 2 0 260.425 2.924 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414664947 233318748 /nfs/dbraw/zinc/31/87/48/233318748.db2.gz DBTGCHGGQSDKHP-BZZMCLGOSA-N 2 0 272.436 2.924 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC[NH2+]1 ZINC000414673921 233322638 /nfs/dbraw/zinc/32/26/38/233322638.db2.gz DBGMYOFCWKLXQT-JKSUJKDBSA-N 2 0 298.434 2.692 20 0 CFADRP c1cnn(CCCCCN2CCC([NH+]3CCCC3)CC2)c1 ZINC000104946361 186032415 /nfs/dbraw/zinc/03/24/15/186032415.db2.gz TVTXTPSXPIVFFH-UHFFFAOYSA-N 2 0 290.455 2.614 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(OC3CCCC3)CC2)CC[NH2+]1 ZINC000414686393 233327256 /nfs/dbraw/zinc/32/72/56/233327256.db2.gz AIJJZOBYLPXLKD-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2nc3c(s2)CCCC3)CC[NH2+]1 ZINC000414690292 233327885 /nfs/dbraw/zinc/32/78/85/233327885.db2.gz HNZKBYHVJCUQAL-OLZOCXBDSA-N 2 0 293.480 2.842 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCSc1ccc(F)cc1 ZINC000131919603 539771636 /nfs/dbraw/zinc/77/16/36/539771636.db2.gz ARXCGKBHNRENDM-WCQYABFASA-N 2 0 268.401 2.729 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cc(F)cc(F)c2)CC[NH2+]1 ZINC000414747061 233341756 /nfs/dbraw/zinc/34/17/56/233341756.db2.gz ROOCKKBMTCZATC-NWDGAFQWSA-N 2 0 268.351 2.785 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414798334 233356212 /nfs/dbraw/zinc/35/62/12/233356212.db2.gz QENBFEJFZQMUDU-ZWKOTPCHSA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000414800421 233356240 /nfs/dbraw/zinc/35/62/40/233356240.db2.gz KTQGHRLBPVARAJ-OLZOCXBDSA-N 2 0 254.324 2.841 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](CC2CC2)CC2CCC2)CC[NH2+]1 ZINC000414764126 233344747 /nfs/dbraw/zinc/34/47/47/233344747.db2.gz NYJXERDHAWGMGS-XJKSGUPXSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414802759 233357469 /nfs/dbraw/zinc/35/74/69/233357469.db2.gz VWTDLNCOYDVUBS-SJLPKXTDSA-N 2 0 281.403 2.966 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771895 233346384 /nfs/dbraw/zinc/34/63/84/233346384.db2.gz AQLGLGFWPFZPHQ-IAGOWNOFSA-N 2 0 288.435 2.907 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000414775062 233346831 /nfs/dbraw/zinc/34/68/31/233346831.db2.gz GBRZCTVJSBGJLY-LSDHHAIUSA-N 2 0 292.398 2.656 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414779443 233348313 /nfs/dbraw/zinc/34/83/13/233348313.db2.gz KBGHBKPPDNJGSY-ROUUACIJSA-N 2 0 288.435 2.655 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1CCC2 ZINC000414782299 233349791 /nfs/dbraw/zinc/34/97/91/233349791.db2.gz OJNGGKVPXCJXCQ-MOPGFXCFSA-N 2 0 284.447 2.997 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000414790000 233352628 /nfs/dbraw/zinc/35/26/28/233352628.db2.gz GGCBDXRGCCRDNH-JOYOIKCWSA-N 2 0 256.752 2.696 20 0 CFADRP Cc1ccc(F)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414805942 233358316 /nfs/dbraw/zinc/35/83/16/233358316.db2.gz PZIKUAUYBJIWSS-DOMZBBRYSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000414807488 233360367 /nfs/dbraw/zinc/36/03/67/233360367.db2.gz RBNMVEVNKCDELE-OTYXRUKQSA-N 2 0 272.314 2.711 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2NCC3)cc1 ZINC000414810495 233360554 /nfs/dbraw/zinc/36/05/54/233360554.db2.gz OGNZWDGTOACWJZ-ZDUSSCGKSA-N 2 0 281.403 2.964 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000414810841 233361143 /nfs/dbraw/zinc/36/11/43/233361143.db2.gz ORGZAGKEJWTPQM-GFCCVEGCSA-N 2 0 284.359 2.725 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc3c2NCC3)cc1 ZINC000414810493 233361165 /nfs/dbraw/zinc/36/11/65/233361165.db2.gz OGNZWDGTOACWJZ-CYBMUJFWSA-N 2 0 281.403 2.964 20 0 CFADRP CCn1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c2ccccc21 ZINC000414808951 233361228 /nfs/dbraw/zinc/36/12/28/233361228.db2.gz SVQCUCFNDGSGDG-DZGCQCFKSA-N 2 0 286.423 2.663 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414818092 233364154 /nfs/dbraw/zinc/36/41/54/233364154.db2.gz CRTQMUUXJLBPKA-TUKIKUTGSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414821426 233365420 /nfs/dbraw/zinc/36/54/20/233365420.db2.gz LFFYKPQZGFOKSK-IWCQGFGOSA-N 2 0 258.409 2.768 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414819994 233365630 /nfs/dbraw/zinc/36/56/30/233365630.db2.gz IUFAKPYAWBNUPB-UXLLHSPISA-N 2 0 260.425 2.904 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414829931 233369604 /nfs/dbraw/zinc/36/96/04/233369604.db2.gz LJRZFEGSNJLUSL-CYBMUJFWSA-N 2 0 258.365 2.830 20 0 CFADRP c1c2ccccc2sc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828798 233369607 /nfs/dbraw/zinc/36/96/07/233369607.db2.gz MZNRFFVBVHHMJT-LBPRGKRZSA-N 2 0 260.406 2.991 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414836503 233372272 /nfs/dbraw/zinc/37/22/72/233372272.db2.gz SSJGZZUCZUCUOU-AWEZNQCLSA-N 2 0 284.403 2.938 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000414835500 233372678 /nfs/dbraw/zinc/37/26/78/233372678.db2.gz UHYOSYJSWCSMKJ-CYBMUJFWSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000105480723 186060402 /nfs/dbraw/zinc/06/04/02/186060402.db2.gz WDVQYDBJZUZBSG-FZMZJTMJSA-N 2 0 252.789 2.770 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414840175 233374332 /nfs/dbraw/zinc/37/43/32/233374332.db2.gz YCKNGGFDMDBFLC-FGTMMUONSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414872939 233385837 /nfs/dbraw/zinc/38/58/37/233385837.db2.gz GRAOZNPTZAUCFR-MRVPVSSYSA-N 2 0 278.730 2.626 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414882702 233387916 /nfs/dbraw/zinc/38/79/16/233387916.db2.gz CEWBVDKSORKRHV-QMTHXVAHSA-N 2 0 297.240 2.707 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414889186 233390881 /nfs/dbraw/zinc/39/08/81/233390881.db2.gz KZXQBYDTEIGKCU-IAQYHMDHSA-N 2 0 298.377 2.936 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(Br)cc2)CCC[NH2+]C1 ZINC000414896164 233391684 /nfs/dbraw/zinc/39/16/84/233391684.db2.gz AWEPQYZNCTYVJU-CQSZACIVSA-N 2 0 297.240 2.928 20 0 CFADRP Cc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1F ZINC000414911461 233396925 /nfs/dbraw/zinc/39/69/25/233396925.db2.gz UBIMKHFQHIZFGE-HNNXBMFYSA-N 2 0 250.361 2.613 20 0 CFADRP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)nc1 ZINC000414912338 233396939 /nfs/dbraw/zinc/39/69/39/233396939.db2.gz HWZHUGIHRMFZTO-QGZVFWFLSA-N 2 0 281.403 2.980 20 0 CFADRP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414851917 233378236 /nfs/dbraw/zinc/37/82/36/233378236.db2.gz JNOPDTXVIHWEID-RCCFBDPRSA-N 2 0 272.436 2.987 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414855228 233379797 /nfs/dbraw/zinc/37/97/97/233379797.db2.gz WFGQNRIDPSVOSH-BZSNNMDCSA-N 2 0 272.436 2.987 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCCCC1 ZINC000414858727 233381311 /nfs/dbraw/zinc/38/13/11/233381311.db2.gz KVQIJKKNTCRUPL-ZNMIVQPWSA-N 2 0 278.440 2.585 20 0 CFADRP COCC1(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000414975301 233421994 /nfs/dbraw/zinc/42/19/94/233421994.db2.gz NTHHSEYXTYUOGX-HZPDHXFCSA-N 2 0 290.451 2.784 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599071803 350371179 /nfs/dbraw/zinc/37/11/79/350371179.db2.gz TYNWJLCYNTYAJZ-GJZGRUSLSA-N 2 0 298.471 2.676 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000415042866 233445194 /nfs/dbraw/zinc/44/51/94/233445194.db2.gz RJJRMJPEJKYPTH-CMPLNLGQSA-N 2 0 268.788 2.566 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000415052894 233447184 /nfs/dbraw/zinc/44/71/84/233447184.db2.gz LXNGYTCRSVEBLJ-HIFRSBDPSA-N 2 0 264.438 2.809 20 0 CFADRP CCC[C@H](C)CCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000599294196 350408397 /nfs/dbraw/zinc/40/83/97/350408397.db2.gz CNXLALNPSRIIQT-ROUUACIJSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@H](C[NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1F ZINC000415108816 233468765 /nfs/dbraw/zinc/46/87/65/233468765.db2.gz PDSUZEBNJDZROG-QFWMXSHPSA-N 2 0 268.351 2.928 20 0 CFADRP Cc1ccc(N[C@@H]2CCC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000415120242 233470733 /nfs/dbraw/zinc/47/07/33/233470733.db2.gz LDGGHBJPEYTIDD-OAHLLOKOSA-N 2 0 261.413 2.611 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCC2 ZINC000092383343 180372555 /nfs/dbraw/zinc/37/25/55/180372555.db2.gz IUHJHDSCZJDDJC-INIZCTEOSA-N 2 0 262.397 2.614 20 0 CFADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1O ZINC000092381094 180372012 /nfs/dbraw/zinc/37/20/12/180372012.db2.gz FYYSXFNOSIJQIG-UHFFFAOYSA-N 2 0 292.423 2.565 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2cccs2)CC1 ZINC000092381341 180372143 /nfs/dbraw/zinc/37/21/43/180372143.db2.gz PPTFFPZDUKEWMH-UHFFFAOYSA-N 2 0 252.427 2.912 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000107958165 186200495 /nfs/dbraw/zinc/20/04/95/186200495.db2.gz BOOJOZFRWUYYJU-LLVKDONJSA-N 2 0 252.789 2.899 20 0 CFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600162577 350525262 /nfs/dbraw/zinc/52/52/62/350525262.db2.gz UTVGPWRAVSPMGI-ZNMIVQPWSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)(C)C ZINC000668785430 539803803 /nfs/dbraw/zinc/80/38/03/539803803.db2.gz QBTGGIJIFMDHMQ-LSDHHAIUSA-N 2 0 270.461 2.711 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCSc2ccccc2)CC1 ZINC000110651154 186311274 /nfs/dbraw/zinc/31/12/74/186311274.db2.gz QSAUEVCYADTKCQ-ZDUSSCGKSA-N 2 0 264.438 2.838 20 0 CFADRP CC(C)[N@H+](C)CC1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000601505483 350735368 /nfs/dbraw/zinc/73/53/68/350735368.db2.gz ZGSBIECRELHAQR-UHFFFAOYSA-N 2 0 288.439 2.911 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000607957067 351382482 /nfs/dbraw/zinc/38/24/82/351382482.db2.gz ZVQQHJQBWAZRJW-XJKSGUPXSA-N 2 0 271.408 2.988 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1c(C)nn(C)c1C ZINC000133836416 539818644 /nfs/dbraw/zinc/81/86/44/539818644.db2.gz UDVBZAABEYZKFS-WBMJQRKESA-N 2 0 292.471 2.808 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1cccc(CO)c1 ZINC000122146608 187017431 /nfs/dbraw/zinc/01/74/31/187017431.db2.gz PMNAPCYXMCNNSZ-CQSZACIVSA-N 2 0 285.391 2.727 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000268912217 535167551 /nfs/dbraw/zinc/16/75/51/535167551.db2.gz UIWNTMJIGLBCIC-OAHLLOKOSA-N 2 0 278.440 2.804 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc2cccnc21)C[NH+](C)C ZINC000291772512 198086823 /nfs/dbraw/zinc/08/68/23/198086823.db2.gz SYDCXYZCRUKJMH-CYBMUJFWSA-N 2 0 257.381 2.522 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000122745079 187049114 /nfs/dbraw/zinc/04/91/14/187049114.db2.gz ZVFCTUBOQBKINX-AWEZNQCLSA-N 2 0 278.444 2.676 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000124164967 187124805 /nfs/dbraw/zinc/12/48/05/187124805.db2.gz QBOHTSDUIGYWHY-HOTGVXAUSA-N 2 0 298.434 2.865 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2Cc2ccccc2)[C@H](C)C1 ZINC000271471248 191157013 /nfs/dbraw/zinc/15/70/13/191157013.db2.gz ITOGGEOYFGJSOG-LAVFITLUSA-N 2 0 272.436 2.938 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000226540267 539863403 /nfs/dbraw/zinc/86/34/03/539863403.db2.gz ZGIHOBIYKZKICQ-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292069313 198151553 /nfs/dbraw/zinc/15/15/53/198151553.db2.gz DJMHRJQRJHIXCL-NVXWUHKLSA-N 2 0 258.409 2.818 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292159606 198186487 /nfs/dbraw/zinc/18/64/87/198186487.db2.gz OKQZKGJTXBQDET-GOSISDBHSA-N 2 0 288.435 2.655 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)C1 ZINC000153098829 539945702 /nfs/dbraw/zinc/94/57/02/539945702.db2.gz ULYUTMUFUUXCQZ-XIRDDKMYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152437309 188018407 /nfs/dbraw/zinc/01/84/07/188018407.db2.gz TWKBYNZETDWJQW-ZFWWWQNUSA-N 2 0 276.399 2.831 20 0 CFADRP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000152488458 188023690 /nfs/dbraw/zinc/02/36/90/188023690.db2.gz LQZXYKPGJNREHZ-CABCVRRESA-N 2 0 292.423 2.536 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423043787 295855162 /nfs/dbraw/zinc/85/51/62/295855162.db2.gz PZODAGZFBVJACT-SMDDNHRTSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CSCCc2ccccc21 ZINC000423459187 295855228 /nfs/dbraw/zinc/85/52/28/295855228.db2.gz QXFDIKNTTUXWAC-WFASDCNBSA-N 2 0 264.438 2.734 20 0 CFADRP CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152899654 188051754 /nfs/dbraw/zinc/05/17/54/188051754.db2.gz PKCWCPJRUOSRHZ-HOCLYGCPSA-N 2 0 294.439 2.703 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000153771408 188102707 /nfs/dbraw/zinc/10/27/07/188102707.db2.gz CPZHRLIOYBCBRS-QGZVFWFLSA-N 2 0 276.424 2.540 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000154213548 188129041 /nfs/dbraw/zinc/12/90/41/188129041.db2.gz RGLYJJDQBRXZBA-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000154216436 188130387 /nfs/dbraw/zinc/13/03/87/188130387.db2.gz MGEMELMJEHCQCG-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000154311831 188135229 /nfs/dbraw/zinc/13/52/29/188135229.db2.gz UQIXMEOMJICHLU-OAHLLOKOSA-N 2 0 293.430 2.504 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357721 539982412 /nfs/dbraw/zinc/98/24/12/539982412.db2.gz BCKGZWNRRWNREJ-AWEZNQCLSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000156146115 188245421 /nfs/dbraw/zinc/24/54/21/188245421.db2.gz KPMCGMFBWUJQFZ-KONPQCLYSA-N 2 0 289.467 2.830 20 0 CFADRP CCN(CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1C ZINC000157963037 188349604 /nfs/dbraw/zinc/34/96/04/188349604.db2.gz OEZTXZTZWOBZHH-SJORKVTESA-N 2 0 289.467 2.894 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000621765951 353421050 /nfs/dbraw/zinc/42/10/50/353421050.db2.gz ISQGUWMFZBFDKS-LBPRGKRZSA-N 2 0 280.387 2.654 20 0 CFADRP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000621766651 353421095 /nfs/dbraw/zinc/42/10/95/353421095.db2.gz YGBMGQNQQMAQLV-OIISXLGYSA-N 2 0 292.398 2.797 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(CC2CC2)C1 ZINC000621740581 353416158 /nfs/dbraw/zinc/41/61/58/353416158.db2.gz XYSZAFHCGCPHMQ-UHFFFAOYSA-N 2 0 282.391 2.808 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccn1 ZINC000158558725 188382186 /nfs/dbraw/zinc/38/21/86/188382186.db2.gz DKVSVIOXFSBBSJ-AWEZNQCLSA-N 2 0 269.392 2.994 20 0 CFADRP CC1CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000622044709 353469088 /nfs/dbraw/zinc/46/90/88/353469088.db2.gz PVJDJMPDGQNLCU-KDQUWOQTSA-N 2 0 250.430 2.933 20 0 CFADRP CC1CC(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000622044761 353469348 /nfs/dbraw/zinc/46/93/48/353469348.db2.gz RNNHDIJLGKMDSK-WINAAZSOSA-N 2 0 286.419 2.878 20 0 CFADRP C[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000623364198 353625578 /nfs/dbraw/zinc/62/55/78/353625578.db2.gz YOLDFXOIBGQKHX-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)C2CCCCC2)CC1(C)C ZINC000623477483 353652788 /nfs/dbraw/zinc/65/27/88/353652788.db2.gz JGRCVUHTZPRQIG-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)CC1(C)C ZINC000623369815 353627715 /nfs/dbraw/zinc/62/77/15/353627715.db2.gz RWOQQQBFNXISEY-AWEZNQCLSA-N 2 0 280.387 2.667 20 0 CFADRP COc1cc(C[NH2+]CCCC[NH+](C)C)ccc1Cl ZINC000623383383 353631681 /nfs/dbraw/zinc/63/16/81/353631681.db2.gz RVXNKYCKPYBFHJ-UHFFFAOYSA-N 2 0 270.804 2.780 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2Cc3ccccc32)CC1(C)C ZINC000623402782 353635879 /nfs/dbraw/zinc/63/58/79/353635879.db2.gz ZBCLTLNNXYGYGP-HUUCEWRRSA-N 2 0 258.409 2.789 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2F)CC1(C)C ZINC000623415248 353638290 /nfs/dbraw/zinc/63/82/90/353638290.db2.gz FCGOQDYJEBRDIN-CQSZACIVSA-N 2 0 282.378 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)CC1(C)C ZINC000623428179 353641842 /nfs/dbraw/zinc/64/18/42/353641842.db2.gz AWPMUEAQEMRSKX-IRXDYDNUSA-N 2 0 290.451 2.963 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1(C)C ZINC000623431106 353642376 /nfs/dbraw/zinc/64/23/76/353642376.db2.gz TVLVWSHHNHJZLE-GBJTYRQASA-N 2 0 280.456 2.652 20 0 CFADRP Cn1cc([C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C(C)(C)C)cn1 ZINC000623439590 353645850 /nfs/dbraw/zinc/64/58/50/353645850.db2.gz PQARXUGJUYMUSP-GJZGRUSLSA-N 2 0 292.471 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1(C)C ZINC000623454852 353649395 /nfs/dbraw/zinc/64/93/95/353649395.db2.gz QPGRRHOBDHTCJV-OFQRWUPVSA-N 2 0 298.496 2.504 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)CC1(C)C ZINC000623335204 353616422 /nfs/dbraw/zinc/61/64/22/353616422.db2.gz BCPYOMZLYZWLEP-HNNXBMFYSA-N 2 0 264.388 2.831 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623342391 353619178 /nfs/dbraw/zinc/61/91/78/353619178.db2.gz XOADDFZYFGKZGP-UHFFFAOYSA-N 2 0 272.396 2.525 20 0 CFADRP COc1ccc(OCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623344008 353619714 /nfs/dbraw/zinc/61/97/14/353619714.db2.gz UGXRDZNIADTCLE-AWEZNQCLSA-N 2 0 292.423 2.536 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623346979 353620583 /nfs/dbraw/zinc/62/05/83/353620583.db2.gz KEQHLXLYXSQFLL-MRXNPFEDSA-N 2 0 276.424 2.795 20 0 CFADRP CCOC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623504849 353658911 /nfs/dbraw/zinc/65/89/11/353658911.db2.gz BLRXFHYUCGQWCC-KBPBESRZSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)CC1(C)C ZINC000623514881 353661883 /nfs/dbraw/zinc/66/18/83/353661883.db2.gz DAIVYRTUPSKCQC-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623527391 353664311 /nfs/dbraw/zinc/66/43/11/353664311.db2.gz RJXOZJJYNLNMDE-CABCVRRESA-N 2 0 269.477 2.569 20 0 CFADRP COCC1(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623533248 353665876 /nfs/dbraw/zinc/66/58/76/353665876.db2.gz YUZCKDDIAIQWRC-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623549673 353669348 /nfs/dbraw/zinc/66/93/48/353669348.db2.gz LCADZJMAPYLWRH-INWMFGNUSA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@@H](COCC1CC1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562909 353672849 /nfs/dbraw/zinc/67/28/49/353672849.db2.gz HJCSXPNVPHAYAN-GJZGRUSLSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)CC1(C)C ZINC000623570329 353674160 /nfs/dbraw/zinc/67/41/60/353674160.db2.gz OZCMOEJWBQZBGJ-WCQYABFASA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)CC1(C)C ZINC000623570330 353674370 /nfs/dbraw/zinc/67/43/70/353674370.db2.gz OZCMOEJWBQZBGJ-YPMHNXCESA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1(C)C ZINC000623573109 353675116 /nfs/dbraw/zinc/67/51/16/353675116.db2.gz XZPZVJGTPVXLJI-QWRGUYRKSA-N 2 0 260.372 2.740 20 0 CFADRP CCCn1nc(C)c(CNC[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000623656356 353696821 /nfs/dbraw/zinc/69/68/21/353696821.db2.gz SLQGAUPQXFCFPW-INIZCTEOSA-N 2 0 292.471 2.731 20 0 CFADRP COc1ccc(F)c(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623575716 353676746 /nfs/dbraw/zinc/67/67/46/353676746.db2.gz MPCOQKSNRPXEGX-ZDUSSCGKSA-N 2 0 280.387 2.797 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623655526 353697144 /nfs/dbraw/zinc/69/71/44/353697144.db2.gz YXTXWXXMAWJEMA-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CS1 ZINC000623657751 353699217 /nfs/dbraw/zinc/69/92/17/353699217.db2.gz YADHBTMQGDUFNU-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000623808208 353728618 /nfs/dbraw/zinc/72/86/18/353728618.db2.gz HSMSIVOXLQXJSF-ULQDDVLXSA-N 2 0 288.435 2.807 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000623807727 353728687 /nfs/dbraw/zinc/72/86/87/353728687.db2.gz QGJRFCAUBLXFRS-ORQFMDKSSA-N 2 0 274.408 2.589 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(C)sc1C ZINC000623889284 353750016 /nfs/dbraw/zinc/75/00/16/353750016.db2.gz JIGSZPRGVYRCIW-UKRRQHHQSA-N 2 0 284.469 2.718 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000624002723 353781230 /nfs/dbraw/zinc/78/12/30/353781230.db2.gz CMMLSOLBOKFDGX-WXRRBKDZSA-N 2 0 279.453 2.983 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000624007545 353782282 /nfs/dbraw/zinc/78/22/82/353782282.db2.gz YROIGVABDISVHB-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2COc3cccc(C)c3C2)CC1 ZINC000624072292 353798242 /nfs/dbraw/zinc/79/82/42/353798242.db2.gz ZJGBCAUVBDDSIG-MRXNPFEDSA-N 2 0 288.435 2.763 20 0 CFADRP C[C@H](CCCCO)[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000624077800 353799992 /nfs/dbraw/zinc/79/99/92/353799992.db2.gz CENITWGNPLBGRO-ZBFHGGJFSA-N 2 0 268.445 2.534 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)n1 ZINC000624121979 353810461 /nfs/dbraw/zinc/81/04/61/353810461.db2.gz HEWGBAFSPAGQFE-HZPDHXFCSA-N 2 0 292.471 2.717 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121556 353810923 /nfs/dbraw/zinc/81/09/23/353810923.db2.gz YAYLEJAOYMNXFT-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624120717 353811186 /nfs/dbraw/zinc/81/11/86/353811186.db2.gz FPONSTPLBPCQJC-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624122603 353812216 /nfs/dbraw/zinc/81/22/16/353812216.db2.gz WPTPBMILHHFYTI-GJZGRUSLSA-N 2 0 261.413 2.773 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624124021 353812732 /nfs/dbraw/zinc/81/27/32/353812732.db2.gz VQQAHFTYWGRUQX-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)C1CCSCC1 ZINC000624124179 353813126 /nfs/dbraw/zinc/81/31/26/353813126.db2.gz ZHJOLJBGRTUPNQ-UONOGXRCSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn[nH]c3)cc2)C1 ZINC000624213994 353836855 /nfs/dbraw/zinc/83/68/55/353836855.db2.gz MNKSMRYCKMVLFJ-HNNXBMFYSA-N 2 0 298.434 2.931 20 0 CFADRP CCC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)OCC ZINC000624048185 353792818 /nfs/dbraw/zinc/79/28/18/353792818.db2.gz FEPDPJCMVZOVQZ-ZFWWWQNUSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2Cc3ccccc3CO2)CC1 ZINC000624054072 353794406 /nfs/dbraw/zinc/79/44/06/353794406.db2.gz WSVSMCJZKZYGCU-SFHVURJKSA-N 2 0 288.435 2.592 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000624271902 353852898 /nfs/dbraw/zinc/85/28/98/353852898.db2.gz LHQCMZKYOGVUGR-MJBXVCDLSA-N 2 0 268.445 2.652 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000624298647 353856498 /nfs/dbraw/zinc/85/64/98/353856498.db2.gz WDBVJZFFOOBIGB-MXASKKJJSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)C(C)C ZINC000626062914 354183623 /nfs/dbraw/zinc/18/36/23/354183623.db2.gz LDXQVHHCPSBJKP-QGZVFWFLSA-N 2 0 278.440 2.587 20 0 CFADRP COc1ccc(F)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000293342139 198606887 /nfs/dbraw/zinc/60/68/87/198606887.db2.gz SILGYVYPSDRUKX-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CCn3ccnc3)C2)cc1F ZINC000626126473 354203296 /nfs/dbraw/zinc/20/32/96/354203296.db2.gz PBYWEAPQBXNORQ-CQSZACIVSA-N 2 0 289.354 2.520 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3n[nH]cc32)C[C@@H]1C ZINC000628183203 354463921 /nfs/dbraw/zinc/46/39/21/354463921.db2.gz UAYLLZZNYPWYEP-DZGCQCFKSA-N 2 0 286.423 2.868 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000628203288 354475774 /nfs/dbraw/zinc/47/57/74/354475774.db2.gz BIUSFNFRFCWFIJ-DLBZAZTESA-N 2 0 282.472 2.905 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628214455 354481038 /nfs/dbraw/zinc/48/10/38/354481038.db2.gz YJDDFNBPAFYACI-UHFFFAOYSA-N 2 0 298.434 2.841 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628308925 354535874 /nfs/dbraw/zinc/53/58/74/354535874.db2.gz RCEBNMJBTHFRCM-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP COC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000271746308 191303579 /nfs/dbraw/zinc/30/35/79/191303579.db2.gz WRCLAHPLIACCPR-OAHLLOKOSA-N 2 0 286.366 2.584 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc2n[nH]cc21 ZINC000628280176 354517417 /nfs/dbraw/zinc/51/74/17/354517417.db2.gz UMLPNPAZKSYUHQ-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP Cc1nc(C)c(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000628322416 354545424 /nfs/dbraw/zinc/54/54/24/354545424.db2.gz RXJPUDMQYXJMKF-SJORKVTESA-N 2 0 299.418 2.726 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CS1 ZINC000628425801 354586078 /nfs/dbraw/zinc/58/60/78/354586078.db2.gz VTQWJUDMFHQCDC-KKUMJFAQSA-N 2 0 270.486 2.838 20 0 CFADRP CCCC1CCC(C[NH2+]CCOCCC[NH3+])CC1 ZINC000629400639 354803049 /nfs/dbraw/zinc/80/30/49/354803049.db2.gz GWGRHRXTOWUYNB-UHFFFAOYSA-N 2 0 256.434 2.548 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCOCCC[NH3+])CC1 ZINC000629400299 354803259 /nfs/dbraw/zinc/80/32/59/354803259.db2.gz TUFODUBOGNVJPH-HUUCEWRRSA-N 2 0 270.461 2.936 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629514532 354824741 /nfs/dbraw/zinc/82/47/41/354824741.db2.gz NRFJYEUKCWAJLW-WQVCFCJDSA-N 2 0 294.826 2.921 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000629514744 354824809 /nfs/dbraw/zinc/82/48/09/354824809.db2.gz UDSUFOSOTIUCJF-UHFFFAOYSA-N 2 0 282.815 2.867 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000629513706 354825035 /nfs/dbraw/zinc/82/50/35/354825035.db2.gz KKUIDTHNAGENOD-SJORKVTESA-N 2 0 270.420 2.808 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000629516461 354825654 /nfs/dbraw/zinc/82/56/54/354825654.db2.gz GUMIAXJMMZZJAJ-TZMCWYRMSA-N 2 0 261.413 2.683 20 0 CFADRP Cc1ccc2ncc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000629519675 354826830 /nfs/dbraw/zinc/82/68/30/354826830.db2.gz GYSDUNZRGZGVEM-HIFRSBDPSA-N 2 0 269.392 2.712 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C2CC2)c1 ZINC000629520580 354827728 /nfs/dbraw/zinc/82/77/28/354827728.db2.gz LONQUXVCJFLXCT-ZDUSSCGKSA-N 2 0 274.408 2.723 20 0 CFADRP c1ccc([C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CCC2)nc1 ZINC000629520409 354827742 /nfs/dbraw/zinc/82/77/42/354827742.db2.gz VTCQKOWYIVDLNT-BVIKNXMNSA-N 2 0 285.435 2.901 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000629522523 354828486 /nfs/dbraw/zinc/82/84/86/354828486.db2.gz CEIRYTCCLYIOGE-BZUAXINKSA-N 2 0 287.451 2.645 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000629522501 354828634 /nfs/dbraw/zinc/82/86/34/354828634.db2.gz BIKOGKHGBLEAHS-NSHDSACASA-N 2 0 296.798 2.930 20 0 CFADRP CCc1ccc([C@H](CC)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629522359 354828709 /nfs/dbraw/zinc/82/87/09/354828709.db2.gz YCEKQIYLHFGQIC-INIZCTEOSA-N 2 0 276.424 2.798 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCOCC2)C2CC2)cc1 ZINC000629522795 354828947 /nfs/dbraw/zinc/82/89/47/354828947.db2.gz BIXTWGCSLXUFAX-MRXNPFEDSA-N 2 0 274.408 2.544 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000629528696 354831987 /nfs/dbraw/zinc/83/19/87/354831987.db2.gz GZTJQQZVYIMBIP-JTQLQIEISA-N 2 0 291.222 2.880 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000629529796 354832674 /nfs/dbraw/zinc/83/26/74/354832674.db2.gz NCKNPGXKQNBVGF-HNNXBMFYSA-N 2 0 282.453 2.805 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000629530399 354832708 /nfs/dbraw/zinc/83/27/08/354832708.db2.gz FOLRZKPKYKJPOU-QWHCGFSZSA-N 2 0 284.831 2.658 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2cccs2)CC[C@@H]1C(F)(F)F ZINC000629657003 354879585 /nfs/dbraw/zinc/87/95/85/354879585.db2.gz SHUJZPWABSMXAQ-KOLCDFICSA-N 2 0 278.343 2.707 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CC2=Cc3ccccc3OC2)C[C@H]1C[NH3+] ZINC000629648465 354875491 /nfs/dbraw/zinc/87/54/91/354875491.db2.gz OJMLBAWSAAJHGJ-CKEIUWERSA-N 2 0 286.419 2.768 20 0 CFADRP CC(C)Cc1cccc([C@@H](C)[NH2+]CCOCCC[NH3+])c1 ZINC000629536825 354835574 /nfs/dbraw/zinc/83/55/74/354835574.db2.gz HKSFAQOBWIYMPD-OAHLLOKOSA-N 2 0 278.440 2.901 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000629534803 354835656 /nfs/dbraw/zinc/83/56/56/354835656.db2.gz AZOSZBWPRUJFCB-CZUORRHYSA-N 2 0 275.440 2.930 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])C1(c2ccccc2)CCCC1 ZINC000629537894 354836546 /nfs/dbraw/zinc/83/65/46/354836546.db2.gz LFXJQXUYZJMLQK-INIZCTEOSA-N 2 0 290.451 2.842 20 0 CFADRP CCSc1ccccc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629537430 354836727 /nfs/dbraw/zinc/83/67/27/354836727.db2.gz JKUGCSONNQINIW-CYBMUJFWSA-N 2 0 282.453 2.815 20 0 CFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000629540479 354838439 /nfs/dbraw/zinc/83/84/39/354838439.db2.gz UYQUYVRSQVKQIO-INIZCTEOSA-N 2 0 276.424 2.636 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000629652681 354878274 /nfs/dbraw/zinc/87/82/74/354878274.db2.gz CFPMQEQMEVABEF-KRWDZBQOSA-N 2 0 278.440 2.594 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000629546813 354842740 /nfs/dbraw/zinc/84/27/40/354842740.db2.gz IBRORMITBLUNDL-BMIGLBTASA-N 2 0 264.800 2.915 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548274 354843981 /nfs/dbraw/zinc/84/39/81/354843981.db2.gz DSIARGCETMHXBX-NXEZZACHSA-N 2 0 250.308 2.579 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](C)C1(F)F ZINC000629552517 354845714 /nfs/dbraw/zinc/84/57/14/354845714.db2.gz LGQYFWHXOZGAOD-TXEJJXNPSA-N 2 0 260.372 2.599 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000629551756 354845770 /nfs/dbraw/zinc/84/57/70/354845770.db2.gz XBPJKRFNRFDKJD-IAGOWNOFSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc12 ZINC000629580948 354849989 /nfs/dbraw/zinc/84/99/89/354849989.db2.gz ZRELRAILRMTXEB-KRWDZBQOSA-N 2 0 298.430 2.695 20 0 CFADRP CC(C)c1ccc([C@H](C)[N@H+](C)CCOCC[NH3+])cc1 ZINC000629581125 354850709 /nfs/dbraw/zinc/85/07/09/354850709.db2.gz NUIXUZXROOCZGD-AWEZNQCLSA-N 2 0 264.413 2.778 20 0 CFADRP Cc1cc(C)c([C@H](C)[N@H+](C)CCOCC[NH3+])c(C)c1 ZINC000629578708 354850835 /nfs/dbraw/zinc/85/08/35/354850835.db2.gz LYARBMROJTZJTL-HNNXBMFYSA-N 2 0 264.413 2.580 20 0 CFADRP Cc1ccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000629594175 354854292 /nfs/dbraw/zinc/85/42/92/354854292.db2.gz LUDIOJTWMOENPY-IYBDPMFKSA-N 2 0 262.372 2.566 20 0 CFADRP c1cc(C[C@@H]2CCCC[NH2+]2)cc(C2=CC[NH2+]CC2)c1 ZINC000629723512 354908904 /nfs/dbraw/zinc/90/89/04/354908904.db2.gz NSMGSHJKBUBBIO-KRWDZBQOSA-N 2 0 256.393 2.748 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629662872 354882892 /nfs/dbraw/zinc/88/28/92/354882892.db2.gz DRLFIIVTNQOUOS-RYQLBKOJSA-N 2 0 272.436 2.797 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000271767626 191315376 /nfs/dbraw/zinc/31/53/76/191315376.db2.gz AUOXBHKAYJXRCY-UHFFFAOYSA-N 2 0 268.763 2.831 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1C1CCCCC1 ZINC000346843269 291056016 /nfs/dbraw/zinc/05/60/16/291056016.db2.gz XVVRLIPWGMRGJV-KBPBESRZSA-N 2 0 290.455 2.637 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@H]21 ZINC000228544928 540104836 /nfs/dbraw/zinc/10/48/36/540104836.db2.gz MAWQZUPJUDCKHH-DAXOMENPSA-N 2 0 294.439 2.977 20 0 CFADRP CC[C@H]1C[N@H+](CCOc2ccc(SC)cc2)CC[C@H]1[NH3+] ZINC000647937459 540109159 /nfs/dbraw/zinc/10/91/59/540109159.db2.gz ZYLMNNYXAQUQTP-XJKSGUPXSA-N 2 0 294.464 2.847 20 0 CFADRP C/C(=C\c1ccccc1)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271792653 191330676 /nfs/dbraw/zinc/33/06/76/191330676.db2.gz HCUBZXNKPFLKEY-NTCAYCPXSA-N 2 0 256.393 2.941 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271809493 191340222 /nfs/dbraw/zinc/34/02/22/191340222.db2.gz KRALACZHTIFKBC-UHFFFAOYSA-N 2 0 274.408 2.825 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000271877515 191384488 /nfs/dbraw/zinc/38/44/88/191384488.db2.gz ZUFOTWZGQOQOAL-UHFFFAOYSA-N 2 0 268.763 2.831 20 0 CFADRP Cc1scc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000631040196 355261183 /nfs/dbraw/zinc/26/11/83/355261183.db2.gz QSRNJUQDUOTHPJ-CYBMUJFWSA-N 2 0 264.438 2.939 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c(F)c1 ZINC000631063415 355271070 /nfs/dbraw/zinc/27/10/70/355271070.db2.gz DJNRPRPFODBFEI-UHFFFAOYSA-N 2 0 250.361 2.566 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1Cc1ccccc1 ZINC000271846918 191363859 /nfs/dbraw/zinc/36/38/59/191363859.db2.gz HVKWIROILJUHNB-VQIMIIECSA-N 2 0 299.462 2.501 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CN1Cc1ccccc1 ZINC000271846914 191365355 /nfs/dbraw/zinc/36/53/55/191365355.db2.gz HVKWIROILJUHNB-LPHOPBHVSA-N 2 0 299.462 2.501 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000271851475 191368612 /nfs/dbraw/zinc/36/86/12/191368612.db2.gz TXSPVVNWUUZXNG-UHFFFAOYSA-N 2 0 250.773 2.692 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271866929 191376593 /nfs/dbraw/zinc/37/65/93/191376593.db2.gz LPKMOMFBSCUJJT-ZDUSSCGKSA-N 2 0 262.372 2.608 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000415060565 540144527 /nfs/dbraw/zinc/14/45/27/540144527.db2.gz YRIPZWIVSCXUQH-DLBZAZTESA-N 2 0 288.435 2.968 20 0 CFADRP c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000631185605 355338036 /nfs/dbraw/zinc/33/80/36/355338036.db2.gz PJFFGSTVDQXMGS-MLHJIOFPSA-N 2 0 286.419 2.733 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@H]1C ZINC000631196015 355342809 /nfs/dbraw/zinc/34/28/09/355342809.db2.gz MTFSVZVTNWPTJW-MXSMSXNCSA-N 2 0 288.435 2.522 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631649839 355532473 /nfs/dbraw/zinc/53/24/73/355532473.db2.gz BDMFWAXAHBEXJV-KDOFPFPSSA-N 2 0 288.435 2.671 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665309 355537764 /nfs/dbraw/zinc/53/77/64/355537764.db2.gz VFZLLCPZKJJPMS-RYQLBKOJSA-N 2 0 290.451 2.769 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)CC[N@@H+]1C ZINC000631680370 355545236 /nfs/dbraw/zinc/54/52/36/355545236.db2.gz PUOPNJNFZBRFCR-HLLBOEOZSA-N 2 0 282.472 2.780 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)C2)C1 ZINC000336335838 283107165 /nfs/dbraw/zinc/10/71/65/283107165.db2.gz JKSHQDFEONSBFW-DLBZAZTESA-N 2 0 292.467 2.896 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000631606460 355513248 /nfs/dbraw/zinc/51/32/48/355513248.db2.gz JLNWKESEIGGDJJ-KRWDZBQOSA-N 2 0 272.392 2.534 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(C)s1 ZINC000631887608 355615045 /nfs/dbraw/zinc/61/50/45/355615045.db2.gz PJYAOBXRINPCEX-DZGCQCFKSA-N 2 0 264.438 2.939 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC(CC[NH3+])CC2)c(C)n1 ZINC000631829602 355597006 /nfs/dbraw/zinc/59/70/06/355597006.db2.gz VSHYMVXDCFWAFQ-UHFFFAOYSA-N 2 0 261.413 2.568 20 0 CFADRP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000631836754 355600141 /nfs/dbraw/zinc/60/01/41/355600141.db2.gz GJOZNPPEWKWVJL-GHMZBOCLSA-N 2 0 286.391 2.584 20 0 CFADRP C(C[NH+]1CCC2(CCSCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000631837382 355600427 /nfs/dbraw/zinc/60/04/27/355600427.db2.gz RVNPMLYAJKBWST-OAHLLOKOSA-N 2 0 282.497 2.985 20 0 CFADRP FC(F)Oc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886884 355613061 /nfs/dbraw/zinc/61/30/61/355613061.db2.gz KKRCWMALQOGAEG-ZFWWWQNUSA-N 2 0 296.361 2.862 20 0 CFADRP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886882 355613487 /nfs/dbraw/zinc/61/34/87/355613487.db2.gz KKRCWMALQOGAEG-UKRRQHHQSA-N 2 0 296.361 2.862 20 0 CFADRP Cc1nc2c(c(N[C@@H](C)C3CC[NH+](C)CC3)n1)CCCC2 ZINC000679838554 540176827 /nfs/dbraw/zinc/17/68/27/540176827.db2.gz RLNUTLQIGVXCSH-LBPRGKRZSA-N 2 0 288.439 2.806 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC[N@@H+]1C ZINC000229301991 540178703 /nfs/dbraw/zinc/17/87/03/540178703.db2.gz NBGKHLQFQBAXTB-ILXRZTDVSA-N 2 0 266.429 2.551 20 0 CFADRP c1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2[nH]1 ZINC000229664150 540184245 /nfs/dbraw/zinc/18/42/45/540184245.db2.gz WDCDUCOSVGVIKQ-JKSUJKDBSA-N 2 0 269.392 2.884 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cs1 ZINC000631891061 355616946 /nfs/dbraw/zinc/61/69/46/355616946.db2.gz VRGBFCIMEWRJLS-LSDHHAIUSA-N 2 0 264.438 2.755 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CS1 ZINC000334878722 540195226 /nfs/dbraw/zinc/19/52/26/540195226.db2.gz IQONSSGJTJLPJE-TZMCWYRMSA-N 2 0 268.470 2.877 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2scnc2C2CC2)C1 ZINC000334399587 540190932 /nfs/dbraw/zinc/19/09/32/540190932.db2.gz DLEJWZQRSUNRAU-KBPBESRZSA-N 2 0 291.464 2.937 20 0 CFADRP CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272700101 191873802 /nfs/dbraw/zinc/87/38/02/191873802.db2.gz YIDVCNLOYHYVLL-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000367602623 283132622 /nfs/dbraw/zinc/13/26/22/283132622.db2.gz VCMMCENFHZXQHY-IKGGRYGDSA-N 2 0 293.499 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000353517080 283135637 /nfs/dbraw/zinc/13/56/37/283135637.db2.gz HSMNMRMKRZPBGH-SOUVJXGZSA-N 2 0 296.455 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)[C@H]2CCC[C@@H]21 ZINC000353682564 283139190 /nfs/dbraw/zinc/13/91/90/283139190.db2.gz OHUMDAPDGQBBRD-ICUGJSFKSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)CC[N@@H+]1C ZINC000299995634 540230340 /nfs/dbraw/zinc/23/03/40/540230340.db2.gz NBGKHLQFQBAXTB-RBSFLKMASA-N 2 0 266.429 2.551 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1scnc1C1CC1)C1CC1 ZINC000453604315 540232709 /nfs/dbraw/zinc/23/27/09/540232709.db2.gz ZEDAVNFTNFYBTH-UHFFFAOYSA-N 2 0 279.453 2.985 20 0 CFADRP Fc1ccc(F)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000334175566 540242543 /nfs/dbraw/zinc/24/25/43/540242543.db2.gz BSDPDMLBUINFIA-OAHLLOKOSA-N 2 0 266.335 2.540 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc2cccnc12 ZINC000334847440 540254166 /nfs/dbraw/zinc/25/41/66/540254166.db2.gz MSQHEHJLHPJZQN-CVEARBPZSA-N 2 0 269.392 2.903 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000178974853 283196050 /nfs/dbraw/zinc/19/60/50/283196050.db2.gz VIYFBBSQGKIMGM-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000568007966 290514280 /nfs/dbraw/zinc/51/42/80/290514280.db2.gz BYJGTOZGZMUSHM-UHFFFAOYSA-N 2 0 284.407 2.638 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCOC2CCCCCC2)C1 ZINC000568248682 290539795 /nfs/dbraw/zinc/53/97/95/290539795.db2.gz XVELOMZYFDJBMF-UONOGXRCSA-N 2 0 254.418 2.585 20 0 CFADRP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568604671 290561616 /nfs/dbraw/zinc/56/16/16/290561616.db2.gz UELQZFSHMCYDKD-CXAGYDPISA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+](CC)C[C@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000336724651 540265080 /nfs/dbraw/zinc/26/50/80/540265080.db2.gz UTLPTDXAQJZKPE-JTQLQIEISA-N 2 0 255.793 2.608 20 0 CFADRP CC(C)([NH2+]CCCC1CC[NH2+]CC1)c1nccs1 ZINC000232556370 540261959 /nfs/dbraw/zinc/26/19/59/540261959.db2.gz UJUOGFKXSTXWDL-UHFFFAOYSA-N 2 0 267.442 2.748 20 0 CFADRP c1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067321 540282685 /nfs/dbraw/zinc/28/26/85/540282685.db2.gz LQCMAJZFQYVAET-IRXDYDNUSA-N 2 0 270.420 2.935 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)c1ccccc1 ZINC000339066243 540282794 /nfs/dbraw/zinc/28/27/94/540282794.db2.gz JENVRXSNFLGSGX-RYRKJORJSA-N 2 0 287.451 2.728 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000339068562 540283107 /nfs/dbraw/zinc/28/31/07/540283107.db2.gz OBWCZDMJYRCHPW-KGLIPLIRSA-N 2 0 279.453 2.519 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339068618 540283646 /nfs/dbraw/zinc/28/36/46/540283646.db2.gz OKXDZMKBXJXOGG-XDNAFOTISA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Oc1ccc(F)cc1 ZINC000339069781 540283931 /nfs/dbraw/zinc/28/39/31/540283931.db2.gz KYEKGEFVGLINOX-KBMXLJTQSA-N 2 0 292.398 2.809 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339069054 540284045 /nfs/dbraw/zinc/28/40/45/540284045.db2.gz QOYHYOSOOOXWTI-KURKYZTESA-N 3 0 293.499 2.715 20 0 CFADRP CCC[N@H+](Cc1ccccc1N(C)C)C1CC[NH2+]CC1 ZINC000431071185 283296719 /nfs/dbraw/zinc/29/67/19/283296719.db2.gz OHEJVULRLXQKGQ-UHFFFAOYSA-N 2 0 275.440 2.717 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000666260909 540332033 /nfs/dbraw/zinc/33/20/33/540332033.db2.gz DAHSUFLQFRYAOQ-AWEZNQCLSA-N 2 0 275.440 2.679 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000423052915 299270225 /nfs/dbraw/zinc/27/02/25/299270225.db2.gz QXGZKQURJXWVIF-OBHHBEAMSA-N 2 0 289.467 2.785 20 0 CFADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000486938542 299271933 /nfs/dbraw/zinc/27/19/33/299271933.db2.gz ILOIOJBXAUEGQT-WMLDXEAASA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+]CC1(Cc2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000423042784 299280631 /nfs/dbraw/zinc/28/06/31/299280631.db2.gz MBELNLSAZFOMSH-HNNXBMFYSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000294913305 199244503 /nfs/dbraw/zinc/24/45/03/199244503.db2.gz CFWCKMZPEBUKIU-HNNXBMFYSA-N 2 0 261.413 2.600 20 0 CFADRP COCC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000420317637 236614459 /nfs/dbraw/zinc/61/44/59/236614459.db2.gz NORYRZYDIVZGBO-CVEARBPZSA-N 2 0 276.424 2.696 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCc2ccccc2C1 ZINC000414987723 283417660 /nfs/dbraw/zinc/41/76/60/283417660.db2.gz DTWSHYVAUHRNDL-MTCSXPRVSA-N 2 0 270.420 2.649 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000093210615 540426506 /nfs/dbraw/zinc/42/65/06/540426506.db2.gz CJIFTAPASNRRGL-JKSUJKDBSA-N 2 0 271.408 2.891 20 0 CFADRP CCc1ccc([C@@H](COC)[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000423004098 288548582 /nfs/dbraw/zinc/54/85/82/288548582.db2.gz JDVYEIZDWPGQCJ-GXTWGEPZSA-N 2 0 268.401 2.637 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000178412836 291173225 /nfs/dbraw/zinc/17/32/25/291173225.db2.gz LKAWPJKYAXBULH-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000152052295 540431383 /nfs/dbraw/zinc/43/13/83/540431383.db2.gz GQORXZLPMODSPV-CQSZACIVSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H]([NH2+]CCOc1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000422928454 540444278 /nfs/dbraw/zinc/44/42/78/540444278.db2.gz KQBFPKWVNCYIQV-ZDUSSCGKSA-N 2 0 276.424 2.560 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000094472610 540451805 /nfs/dbraw/zinc/45/18/05/540451805.db2.gz YMQAAMUVFHFDFJ-GXTWGEPZSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1C[NH3+] ZINC000422561646 237104416 /nfs/dbraw/zinc/10/44/16/237104416.db2.gz MNIXREAWCPQXPQ-HLLBOEOZSA-N 2 0 298.434 2.678 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422561989 237106883 /nfs/dbraw/zinc/10/68/83/237106883.db2.gz OTTZBYDCPVILGT-GUTXKFCHSA-N 2 0 278.444 2.578 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739959 237153739 /nfs/dbraw/zinc/15/37/39/237153739.db2.gz MIZDOGQNWUBIQG-XMTFNYHQSA-N 2 0 288.435 2.884 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccc1 ZINC000422742300 237156010 /nfs/dbraw/zinc/15/60/10/237156010.db2.gz RGGAMHBFHFFNFN-SCLBCKFNSA-N 2 0 299.418 2.887 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422706682 237126605 /nfs/dbraw/zinc/12/66/05/237126605.db2.gz UVMYFVLDAUIDOO-IHRRRGAJSA-N 2 0 289.423 2.590 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000422709327 237128275 /nfs/dbraw/zinc/12/82/75/237128275.db2.gz YWSRZXWCZMXTTM-GOEBONIOSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000422713630 237132675 /nfs/dbraw/zinc/13/26/75/237132675.db2.gz KDOANYQASDAFRS-IHRRRGAJSA-N 2 0 256.434 2.545 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC000422723048 237137422 /nfs/dbraw/zinc/13/74/22/237137422.db2.gz ZLQXQZIPYSHFDG-ZDUSSCGKSA-N 2 0 298.434 2.766 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422767261 237181990 /nfs/dbraw/zinc/18/19/90/237181990.db2.gz MMUAZDWHTRBVPN-IYXRBSQSSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1F ZINC000422768319 237186142 /nfs/dbraw/zinc/18/61/42/237186142.db2.gz SAEMLDQFHMVYKC-KSSFIOAISA-N 2 0 286.394 2.916 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422772707 237188372 /nfs/dbraw/zinc/18/83/72/237188372.db2.gz XODOEWBSQCBULC-OCCSQVGLSA-N 2 0 252.789 2.600 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1 ZINC000422772532 237189838 /nfs/dbraw/zinc/18/98/38/237189838.db2.gz ZGRILGUIIHBWTH-GOEBONIOSA-N 2 0 293.430 2.820 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)CCC[NH3+])C1 ZINC000422772534 237189910 /nfs/dbraw/zinc/18/99/10/237189910.db2.gz ZGRILGUIIHBWTH-ZBFHGGJFSA-N 2 0 293.430 2.820 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746216 237157696 /nfs/dbraw/zinc/15/76/96/237157696.db2.gz WEGKUODUEFUIQF-STQMWFEESA-N 2 0 295.496 2.961 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccc(F)cc1 ZINC000422745711 237158649 /nfs/dbraw/zinc/15/86/49/237158649.db2.gz VOEOMTQKQIYQNI-IOASZLSFSA-N 2 0 264.388 2.907 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251594076 540541715 /nfs/dbraw/zinc/54/17/15/540541715.db2.gz CUHSKDGPAAXFAK-HUUCEWRRSA-N 2 0 292.423 2.523 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422748495 237161929 /nfs/dbraw/zinc/16/19/29/237161929.db2.gz UTCRHEYOKCGSJD-OWCLPIDISA-N 2 0 294.826 2.587 20 0 CFADRP CSCCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422750912 237165620 /nfs/dbraw/zinc/16/56/20/237165620.db2.gz DWKVPYKJNBBPBX-HIFRSBDPSA-N 2 0 266.454 2.678 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCn2cnc3ccccc32)c2ccccc21 ZINC000422751958 237166623 /nfs/dbraw/zinc/16/66/23/237166623.db2.gz CAQLNRNFDNAWEB-NVXWUHKLSA-N 2 0 292.386 2.771 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422754145 237170854 /nfs/dbraw/zinc/17/08/54/237170854.db2.gz AEUDCOQBVFDTND-CJNGLKHVSA-N 2 0 276.399 2.964 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCSCc1ccccc1F ZINC000422760716 237174941 /nfs/dbraw/zinc/17/49/41/237174941.db2.gz HAHZJGXQXUXISB-VXGBXAGGSA-N 2 0 270.417 2.774 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422763524 237178206 /nfs/dbraw/zinc/17/82/06/237178206.db2.gz OUEXXWFCKSIROW-NRSFXHEJSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000422794664 237218004 /nfs/dbraw/zinc/21/80/04/237218004.db2.gz ZCAJBJCZCZEEKY-LYYZXLFJSA-N 2 0 280.456 2.700 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000422795791 237218972 /nfs/dbraw/zinc/21/89/72/237218972.db2.gz ICGIAMQGTADWCL-VHSXEESVSA-N 2 0 276.302 2.801 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422796252 237219193 /nfs/dbraw/zinc/21/91/93/237219193.db2.gz XWYNSGCXBFASPQ-KBRIMQKVSA-N 2 0 292.423 2.712 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422797589 237220454 /nfs/dbraw/zinc/22/04/54/237220454.db2.gz NMXQJLGNXQMIEB-MDOLAMBHSA-N 2 0 280.456 2.687 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1[NH3+] ZINC000251713536 540549898 /nfs/dbraw/zinc/54/98/98/540549898.db2.gz JQSWTCLMJWYDGA-WMLDXEAASA-N 2 0 258.409 2.735 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422773488 237193098 /nfs/dbraw/zinc/19/30/98/237193098.db2.gz UEZQAWXEOFJKDV-KGLIPLIRSA-N 2 0 250.411 2.557 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422774272 237193145 /nfs/dbraw/zinc/19/31/45/237193145.db2.gz WKMVKEBUPMBFHD-RYUDHWBXSA-N 2 0 250.361 2.573 20 0 CFADRP CC[C@H]1C[N@H+](Cc2coc3ccccc23)CC[C@H]1[NH3+] ZINC000251925882 540555053 /nfs/dbraw/zinc/55/50/53/540555053.db2.gz YVBNOYDIZIPHSB-SWLSCSKDSA-N 2 0 258.365 2.992 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422779731 237197552 /nfs/dbraw/zinc/19/75/52/237197552.db2.gz ITXHOVJZKTYPFG-CZUORRHYSA-N 2 0 271.408 2.749 20 0 CFADRP Cc1ccccc1O[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422780334 237197707 /nfs/dbraw/zinc/19/77/07/237197707.db2.gz CXALMBQQIZLAJY-FHERZECASA-N 2 0 276.424 2.869 20 0 CFADRP CC[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251935249 540555460 /nfs/dbraw/zinc/55/54/60/540555460.db2.gz ZQTJLQMVSSHJTG-XJKSGUPXSA-N 2 0 280.387 2.654 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422779546 237197986 /nfs/dbraw/zinc/19/79/86/237197986.db2.gz BZHBICCYMPAGQT-QQFBHYJXSA-N 2 0 276.424 2.869 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])N(C)C)cc1 ZINC000422782742 237201215 /nfs/dbraw/zinc/20/12/15/237201215.db2.gz MBIGUMLCEWTDLD-KSZLIROESA-N 2 0 289.467 2.705 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)c2ccccc21 ZINC000422781866 237201410 /nfs/dbraw/zinc/20/14/10/237201410.db2.gz LGJNCQXMYREMFK-ATZDWAIDSA-N 2 0 296.414 2.887 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000422783090 237202244 /nfs/dbraw/zinc/20/22/44/237202244.db2.gz KNXYTHLLDJCEST-LSDHHAIUSA-N 2 0 250.361 2.618 20 0 CFADRP Cc1ccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422785563 237204920 /nfs/dbraw/zinc/20/49/20/237204920.db2.gz PKWGAIATAGPEKD-WBVHZDCISA-N 2 0 277.456 2.705 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Cc1cccs1 ZINC000422784964 237206249 /nfs/dbraw/zinc/20/62/49/237206249.db2.gz QKBODUPOYMLPRH-KCQAQPDRSA-N 2 0 266.454 2.904 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422792109 237214826 /nfs/dbraw/zinc/21/48/26/237214826.db2.gz QOVVQSOSEFPJRK-ZMSDIMECSA-N 2 0 276.424 2.740 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000422793904 237215380 /nfs/dbraw/zinc/21/53/80/237215380.db2.gz YPCYMPIIUZBDNQ-RKLWJJNISA-N 2 0 280.387 2.761 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422815010 237244251 /nfs/dbraw/zinc/24/42/51/237244251.db2.gz ALZGAOBEJMNJED-ZWKOTPCHSA-N 2 0 298.434 2.664 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)C1C[NH2+]C1 ZINC000422827351 237255496 /nfs/dbraw/zinc/25/54/96/237255496.db2.gz MXPJSHPJJPUZEY-BMIGLBTASA-N 2 0 296.361 2.863 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422836154 237261499 /nfs/dbraw/zinc/26/14/99/237261499.db2.gz JJJXMXGCVJDJKP-LRDDRELGSA-N 2 0 289.398 2.957 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000422835295 237261742 /nfs/dbraw/zinc/26/17/42/237261742.db2.gz PFEIASSHGOWMTF-ROUUACIJSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252825218 540568741 /nfs/dbraw/zinc/56/87/41/540568741.db2.gz FHKKXXISJCEVTN-SOUVJXGZSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422814430 237239092 /nfs/dbraw/zinc/23/90/92/237239092.db2.gz UTLYPSHSERICEV-GOEBONIOSA-N 2 0 258.409 2.838 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN(C)c1ccccc1 ZINC000422814985 237239136 /nfs/dbraw/zinc/23/91/36/237239136.db2.gz WTQIBKXOTRBRIL-AWEZNQCLSA-N 2 0 298.434 2.636 20 0 CFADRP Cc1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422858178 237278755 /nfs/dbraw/zinc/27/87/55/237278755.db2.gz HYAIDRLHNLWMAU-XYPWUTKMSA-N 2 0 274.408 2.637 20 0 CFADRP Fc1ccc2oc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000666952445 540596659 /nfs/dbraw/zinc/59/66/59/540596659.db2.gz WRLAPNFSDMQHOP-OAHLLOKOSA-N 2 0 274.339 2.804 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666955455 540597233 /nfs/dbraw/zinc/59/72/33/540597233.db2.gz LNKZPAJIHIIGJH-UTUOFQBUSA-N 2 0 276.346 2.839 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422872082 237294094 /nfs/dbraw/zinc/29/40/94/237294094.db2.gz FPJBEJOGBOCOIX-DGCLKSJQSA-N 2 0 284.350 2.813 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422878637 237298196 /nfs/dbraw/zinc/29/81/96/237298196.db2.gz JKXNTDOAXZSTTQ-PMRDEQMMSA-N 3 0 279.472 2.514 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c[nH]c2c1 ZINC000422843469 237267829 /nfs/dbraw/zinc/26/78/29/237267829.db2.gz IJZZQLLTHHTDFF-STQMWFEESA-N 2 0 259.397 2.734 20 0 CFADRP CC[C@H](C)Oc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OC ZINC000666831940 540585879 /nfs/dbraw/zinc/58/58/79/540585879.db2.gz MRZOJHMJSQUUSZ-STQMWFEESA-N 2 0 280.412 2.699 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000666853973 540587438 /nfs/dbraw/zinc/58/74/38/540587438.db2.gz XMZUCYOBNXTIQW-OAHLLOKOSA-N 2 0 292.423 2.716 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000666857841 540588053 /nfs/dbraw/zinc/58/80/53/540588053.db2.gz LMYAOMDFCDIDLX-QMCVQRASSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1-n1cccn1 ZINC000422882159 237303812 /nfs/dbraw/zinc/30/38/12/237303812.db2.gz AIIPZVQUPUXRGZ-LSDHHAIUSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995669 540604164 /nfs/dbraw/zinc/60/41/64/540604164.db2.gz WBOQDOGLDCPJSQ-JSGCOSHPSA-N 2 0 264.438 2.943 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422887769 237307776 /nfs/dbraw/zinc/30/77/76/237307776.db2.gz ZJMNRWWIYALAGD-IKGGRYGDSA-N 3 0 281.488 2.748 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422890096 237311594 /nfs/dbraw/zinc/31/15/94/237311594.db2.gz RDVGPEQNTBLPJB-FZMZJTMJSA-N 2 0 282.815 2.956 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000422890466 237311884 /nfs/dbraw/zinc/31/18/84/237311884.db2.gz IHWUKIRMQATFHD-GVDBMIGSSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1ccccc1CN1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422894633 237317075 /nfs/dbraw/zinc/31/70/75/237317075.db2.gz CQEQQKIJVRAAMO-INIZCTEOSA-N 2 0 289.467 2.676 20 0 CFADRP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1F ZINC000422898535 237318230 /nfs/dbraw/zinc/31/82/30/237318230.db2.gz FIGUNKJNJYJGHA-NEPJUHHUSA-N 2 0 290.386 2.535 20 0 CFADRP CC[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000157687407 540613058 /nfs/dbraw/zinc/61/30/58/540613058.db2.gz WVKPSAQPGDSFQL-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422905619 237325862 /nfs/dbraw/zinc/32/58/62/237325862.db2.gz ZKJHHGSDVAVEES-KKUMJFAQSA-N 2 0 264.413 2.786 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1oc2ccc(F)cc2c1C ZINC000422906057 237326417 /nfs/dbraw/zinc/32/64/17/237326417.db2.gz UCDQAUDHMPLDBI-CYBMUJFWSA-N 2 0 294.370 2.724 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905687 237329192 /nfs/dbraw/zinc/32/91/92/237329192.db2.gz IRVCKHGYHYIPFV-JEQQUTEPSA-N 2 0 299.462 2.651 20 0 CFADRP C[C@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000422907872 237332038 /nfs/dbraw/zinc/33/20/38/237332038.db2.gz LPRJXDZTUFJJLI-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422913815 237335702 /nfs/dbraw/zinc/33/57/02/237335702.db2.gz QULPDBBRCTUADY-XIRDDKMYSA-N 2 0 290.451 2.597 20 0 CFADRP CSC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCOCC1 ZINC000422920201 237350843 /nfs/dbraw/zinc/35/08/43/237350843.db2.gz LUMAUNBXAMAGBQ-HUUCEWRRSA-N 2 0 292.448 2.633 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000422922895 237353048 /nfs/dbraw/zinc/35/30/48/237353048.db2.gz RDSHKEMGHKIYDY-LALPHHSUSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000422924317 237356528 /nfs/dbraw/zinc/35/65/28/237356528.db2.gz AMYGRQNRLHXSPV-CYUUQNCZSA-N 2 0 292.448 2.565 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cc1 ZINC000422923457 237357120 /nfs/dbraw/zinc/35/71/20/237357120.db2.gz WFSLEDWNORWOJJ-SWLSCSKDSA-N 2 0 268.376 2.620 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Oc1cccc(Cl)c1 ZINC000422926337 237357891 /nfs/dbraw/zinc/35/78/91/237357891.db2.gz WMGRQBPCYBACBA-SRVKXCTJSA-N 2 0 270.804 2.823 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000513204915 540632651 /nfs/dbraw/zinc/63/26/51/540632651.db2.gz XHBHJOGBNGCKKA-XBKGKQEASA-N 2 0 292.467 2.939 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000422932390 237362685 /nfs/dbraw/zinc/36/26/85/237362685.db2.gz ZEPCHSRYKZQGLO-QGZVFWFLSA-N 2 0 290.451 2.743 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o2)cs1 ZINC000422942527 237370898 /nfs/dbraw/zinc/37/08/98/237370898.db2.gz KPIAXZXNGWTILX-NXEZZACHSA-N 2 0 279.409 2.927 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422915755 237342916 /nfs/dbraw/zinc/34/29/16/237342916.db2.gz BUUFLZXQDARVQU-ZFWWWQNUSA-N 2 0 258.365 2.692 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000422918595 237345134 /nfs/dbraw/zinc/34/51/34/237345134.db2.gz HRUSONFTDAMPOM-VHDGCEQUSA-N 2 0 282.815 2.745 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422967131 237398969 /nfs/dbraw/zinc/39/89/69/237398969.db2.gz BEMWZNPIAPTVLG-STQMWFEESA-N 2 0 277.412 2.618 20 0 CFADRP CCc1ccc2[nH+]ccc(NC[C@](C)(O)C[NH+](C)C)c2c1 ZINC000297421104 200184063 /nfs/dbraw/zinc/18/40/63/200184063.db2.gz HEBRFVJQQVKJBR-KRWDZBQOSA-N 2 0 287.407 2.522 20 0 CFADRP CCc1ccc2[nH+]ccc(NC[C@@](C)(O)C[NH+](C)C)c2c1 ZINC000297421113 200184358 /nfs/dbraw/zinc/18/43/58/200184358.db2.gz HEBRFVJQQVKJBR-QGZVFWFLSA-N 2 0 287.407 2.522 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422949321 237377043 /nfs/dbraw/zinc/37/70/43/237377043.db2.gz UZHOWQLPZKHZHA-HIFRSBDPSA-N 2 0 266.816 2.990 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000422957818 237388033 /nfs/dbraw/zinc/38/80/33/237388033.db2.gz OEHYSUCCXPUBDZ-MYSGWJLTSA-N 2 0 256.393 2.855 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422962221 237390859 /nfs/dbraw/zinc/39/08/59/237390859.db2.gz CDCNGIWYGJNBCF-DDTOSNHZSA-N 2 0 265.401 2.502 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000422967609 237396716 /nfs/dbraw/zinc/39/67/16/237396716.db2.gz UIGOTUPOAYSQPH-OWCLPIDISA-N 2 0 291.439 2.666 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000423023575 237450450 /nfs/dbraw/zinc/45/04/50/237450450.db2.gz KBJUSUGAZMJPGU-KMFMINBZSA-N 2 0 276.424 2.654 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1([NH3+])CCCCC1 ZINC000333184663 296001560 /nfs/dbraw/zinc/00/15/60/296001560.db2.gz SQWLHDBERPVFME-LSDHHAIUSA-N 2 0 267.461 2.548 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCNc1ccccn1 ZINC000422834815 296001790 /nfs/dbraw/zinc/00/17/90/296001790.db2.gz OHBMEZNKGHKMRP-JKSUJKDBSA-N 2 0 290.455 2.784 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000423056573 237489036 /nfs/dbraw/zinc/48/90/36/237489036.db2.gz YNCBFYGNIYODKE-GOSISDBHSA-N 2 0 299.418 2.592 20 0 CFADRP Clc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC000257658077 540661815 /nfs/dbraw/zinc/66/18/15/540661815.db2.gz FTUMNOVGCQDUQK-ZDUSSCGKSA-N 2 0 270.829 2.977 20 0 CFADRP Clc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC000257658074 540661855 /nfs/dbraw/zinc/66/18/55/540661855.db2.gz FTUMNOVGCQDUQK-CYBMUJFWSA-N 2 0 270.829 2.977 20 0 CFADRP C[N@@H+](Cc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000258782039 540673209 /nfs/dbraw/zinc/67/32/09/540673209.db2.gz BJBUTZPERQOVMI-AWEZNQCLSA-N 2 0 254.377 2.881 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1cccc(Cl)c1)C2 ZINC000380471676 540688277 /nfs/dbraw/zinc/68/82/77/540688277.db2.gz RHKQCMISIHREIG-BBRMVZONSA-N 2 0 294.826 2.780 20 0 CFADRP C[NH2+]CCC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000435881178 240362761 /nfs/dbraw/zinc/36/27/61/240362761.db2.gz SWNPCJZTUUMSKB-SWLSCSKDSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000177269952 189040670 /nfs/dbraw/zinc/04/06/70/189040670.db2.gz SWSBZXDWPIPAOJ-ZDUSSCGKSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000177291127 189042119 /nfs/dbraw/zinc/04/21/19/189042119.db2.gz OGXUZEYTRFIHLS-RDJZCZTQSA-N 2 0 272.436 2.939 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177887471 189076552 /nfs/dbraw/zinc/07/65/52/189076552.db2.gz FWWVGNNEFTZOSO-HZPDHXFCSA-N 2 0 276.424 2.755 20 0 CFADRP C[C@@]1(c2ccccc2)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000521845508 540734280 /nfs/dbraw/zinc/73/42/80/540734280.db2.gz RBILRBYPVYIKTJ-WMZOPIPTSA-N 2 0 288.435 2.624 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000154580263 540751595 /nfs/dbraw/zinc/75/15/95/540751595.db2.gz LBACWKWMSQUTRM-AWEZNQCLSA-N 2 0 276.424 2.558 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127304344 283562577 /nfs/dbraw/zinc/56/25/77/283562577.db2.gz WKJBMYBYFLCJQP-FUHWJXTLSA-N 2 0 289.467 2.753 20 0 CFADRP CC(C)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000053660699 540747104 /nfs/dbraw/zinc/74/71/04/540747104.db2.gz WKKYJGMWCIXTIY-UHFFFAOYSA-N 2 0 261.413 2.539 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(-n3cccn3)cc1)C2 ZINC000178438352 189116590 /nfs/dbraw/zinc/11/65/90/189116590.db2.gz SZAQRBRQKTUZQE-ZNXRZULTSA-N 2 0 296.418 2.587 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000334845409 283573436 /nfs/dbraw/zinc/57/34/36/283573436.db2.gz GYUOTXNXYPDULW-GDBMZVCRSA-N 2 0 273.424 2.515 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000054243270 540782112 /nfs/dbraw/zinc/78/21/12/540782112.db2.gz CUMYVDBLXQKLBH-UHFFFAOYSA-N 2 0 260.425 2.896 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1F ZINC000178594468 189129810 /nfs/dbraw/zinc/12/98/10/189129810.db2.gz FPFHVQGZQHRYSZ-XJKCOSOUSA-N 2 0 294.414 2.695 20 0 CFADRP CC[C@H](COC)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635784 189133231 /nfs/dbraw/zinc/13/32/31/189133231.db2.gz QGTAKAHUXMFZCC-GOSISDBHSA-N 2 0 290.451 2.913 20 0 CFADRP c1c2ccccc2[nH]c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000683927209 540788077 /nfs/dbraw/zinc/78/80/77/540788077.db2.gz GCGWDUIVRGWEHX-ZDUSSCGKSA-N 2 0 269.392 2.742 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000422992693 296020790 /nfs/dbraw/zinc/02/07/90/296020790.db2.gz QDLBWOCBFHGHPU-GVGOCWFNSA-N 2 0 250.430 2.774 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178982567 189159613 /nfs/dbraw/zinc/15/96/13/189159613.db2.gz WKJVHWFSWIWHLU-UHFFFAOYSA-N 2 0 287.451 2.587 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414908930 540830264 /nfs/dbraw/zinc/83/02/64/540830264.db2.gz BOWUJNQAEKIJGG-KGLIPLIRSA-N 2 0 278.444 2.614 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[C@@H]1C ZINC000423095720 238197888 /nfs/dbraw/zinc/19/78/88/238197888.db2.gz FUAWBJVJSRHMQG-DIECFANBSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]([NH2+]CCCc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000423099355 238200186 /nfs/dbraw/zinc/20/01/86/238200186.db2.gz TWTCWWHUNQFAAY-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000414910495 540830510 /nfs/dbraw/zinc/83/05/10/540830510.db2.gz CXTHQAZZMPXWEI-QWHCGFSZSA-N 2 0 288.370 2.575 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414930051 540830943 /nfs/dbraw/zinc/83/09/43/540830943.db2.gz SJBGTGGZCGABIY-GVDBMIGSSA-N 2 0 294.414 2.633 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1OC ZINC000414927287 540830955 /nfs/dbraw/zinc/83/09/55/540830955.db2.gz ORUQDSFNYDGNDM-VXGBXAGGSA-N 2 0 298.814 2.717 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423127541 238218233 /nfs/dbraw/zinc/21/82/33/238218233.db2.gz CBUDDWVDSSVJSA-JHJVBQTASA-N 2 0 290.386 2.788 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000414932903 540831783 /nfs/dbraw/zinc/83/17/83/540831783.db2.gz WEMUXSYPNMYNMK-AEGPPILISA-N 2 0 294.414 2.872 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423127870 238218934 /nfs/dbraw/zinc/21/89/34/238218934.db2.gz PVEXGDVJWLNPTL-KGLIPLIRSA-N 2 0 256.434 2.546 20 0 CFADRP c1nc(C2CC2)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415036691 540833299 /nfs/dbraw/zinc/83/32/99/540833299.db2.gz GCKNLINETQXSSL-UONOGXRCSA-N 2 0 291.464 2.985 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000423107924 238204893 /nfs/dbraw/zinc/20/48/93/238204893.db2.gz LPWVAGWNXJZITQ-KNXALSJPSA-N 2 0 298.377 2.982 20 0 CFADRP CC[C@H](C[NH2+]CCC[NH3+])Oc1ccccc1C(F)(F)F ZINC000415122912 540834546 /nfs/dbraw/zinc/83/45/46/540834546.db2.gz OQWGZUPONCAPMU-LLVKDONJSA-N 2 0 290.329 2.801 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCC[C@H]3[NH3+])C2)cc1F ZINC000423112251 238206882 /nfs/dbraw/zinc/20/68/82/238206882.db2.gz JMBSMZRZYINRJS-GBOPCIDUSA-N 2 0 278.371 2.550 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000423116749 238208805 /nfs/dbraw/zinc/20/88/05/238208805.db2.gz RKKSUHNIIGFQIM-LRDDRELGSA-N 2 0 289.398 2.957 20 0 CFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423113610 238209262 /nfs/dbraw/zinc/20/92/62/238209262.db2.gz URCCRMLOZDHOMG-BPQIPLTHSA-N 2 0 288.435 2.679 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423118366 238210364 /nfs/dbraw/zinc/21/03/64/238210364.db2.gz AEXCMQCLPIWODK-UONOGXRCSA-N 2 0 256.434 2.559 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118153 238210629 /nfs/dbraw/zinc/21/06/29/238210629.db2.gz ZALVRPDBUWWGHT-LRSKPHEKSA-N 2 0 258.409 2.897 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118151 238211754 /nfs/dbraw/zinc/21/17/54/238211754.db2.gz ZALVRPDBUWWGHT-AGZZZRPFSA-N 2 0 258.409 2.897 20 0 CFADRP Cc1cc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1Cl ZINC000423142786 238228146 /nfs/dbraw/zinc/22/81/46/238228146.db2.gz VXHITMMZYLEVRY-RYUDHWBXSA-N 2 0 254.805 2.906 20 0 CFADRP COC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423148923 238235857 /nfs/dbraw/zinc/23/58/57/238235857.db2.gz GTIROEKCTKVUFL-SCRDCRAPSA-N 2 0 284.831 2.785 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(C)(C)C ZINC000670265681 540846925 /nfs/dbraw/zinc/84/69/25/540846925.db2.gz RQXHMLKSGVVLPQ-LVQVYYBASA-N 2 0 282.472 2.852 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000423152450 238237269 /nfs/dbraw/zinc/23/72/69/238237269.db2.gz FCPAJFVHCMMRMT-BZSNNMDCSA-N 2 0 290.451 2.914 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000423156061 238239571 /nfs/dbraw/zinc/23/95/71/238239571.db2.gz LZLBTXDMBZZIKD-NEPJUHHUSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCSC1 ZINC000423135393 238224756 /nfs/dbraw/zinc/22/47/56/238224756.db2.gz XWVAZYFYXFJIBW-IMJJTQAJSA-N 2 0 278.465 2.678 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423139234 238225755 /nfs/dbraw/zinc/22/57/55/238225755.db2.gz UXQAPUVJRXSGDY-TUKIKUTGSA-N 2 0 298.377 2.640 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000423170680 238251944 /nfs/dbraw/zinc/25/19/44/238251944.db2.gz MREHYKMWKCHRKG-REHBVBGRSA-N 2 0 262.372 2.789 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC2CC[NH2+]CC2)C3)cc1 ZINC000423184674 238260304 /nfs/dbraw/zinc/26/03/04/238260304.db2.gz MSDUHTJKBROPCJ-LDLYASANSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423158866 238242794 /nfs/dbraw/zinc/24/27/94/238242794.db2.gz XGKSCBZHMYHXGA-CVEARBPZSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000423161935 238243975 /nfs/dbraw/zinc/24/39/75/238243975.db2.gz KCQFXNLTGLEKDJ-AJNGGQMLSA-N 2 0 268.445 2.545 20 0 CFADRP COC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423166513 238248129 /nfs/dbraw/zinc/24/81/29/238248129.db2.gz CXCDMNKJAJNOQK-LMNGEROHSA-N 2 0 280.456 2.844 20 0 CFADRP FC1(F)CC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423166971 238248188 /nfs/dbraw/zinc/24/81/88/238248188.db2.gz ROIBIFHBJOVVPG-MCIONIFRSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000423168293 238248842 /nfs/dbraw/zinc/24/88/42/238248842.db2.gz UFROACQUENKMIY-CVEARBPZSA-N 3 0 281.488 2.761 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c2ccccc12 ZINC000423169293 238251128 /nfs/dbraw/zinc/25/11/28/238251128.db2.gz IXCOVNCXASZAAJ-MDASCCDHSA-N 2 0 298.430 2.990 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000387438689 540863962 /nfs/dbraw/zinc/86/39/62/540863962.db2.gz RTKZLHRXSJMPBH-SJLPKXTDSA-N 2 0 292.467 2.988 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000387438691 540864023 /nfs/dbraw/zinc/86/40/23/540864023.db2.gz RTKZLHRXSJMPBH-WMZOPIPTSA-N 2 0 292.467 2.988 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000309952454 296024726 /nfs/dbraw/zinc/02/47/26/296024726.db2.gz GYQPIJGURCUGHA-NVXWUHKLSA-N 2 0 276.424 2.653 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000423225691 238288379 /nfs/dbraw/zinc/28/83/79/238288379.db2.gz NUXXALQKSZDOMQ-QWRGUYRKSA-N 2 0 290.436 2.901 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000423223607 238288726 /nfs/dbraw/zinc/28/87/26/238288726.db2.gz GVQLXOZLHMHKFY-YUMQZZPRSA-N 2 0 277.231 2.899 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000423089186 296025734 /nfs/dbraw/zinc/02/57/34/296025734.db2.gz UOKFEEMKANIPBP-JJCQNKCGSA-N 2 0 268.445 2.545 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423227048 238290815 /nfs/dbraw/zinc/29/08/15/238290815.db2.gz UEFNQDVMWFQQHM-UAXWRAGISA-N 2 0 262.397 2.514 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000423228953 238290987 /nfs/dbraw/zinc/29/09/87/238290987.db2.gz GBEZEOFJIIZKBW-WDEREUQCSA-N 2 0 272.339 2.984 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000179630637 189208708 /nfs/dbraw/zinc/20/87/08/189208708.db2.gz HLZVAXPSWQZVEZ-MRXNPFEDSA-N 2 0 260.425 2.995 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000423218888 238285130 /nfs/dbraw/zinc/28/51/30/238285130.db2.gz SIOWPGPNZNZPAJ-JEYLPNPQSA-N 2 0 292.423 2.632 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423240255 238300607 /nfs/dbraw/zinc/30/06/07/238300607.db2.gz BYRSROXYSRBLFG-CJNGLKHVSA-N 2 0 276.449 2.606 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccnn1-c1ccccc1 ZINC000423239203 238300827 /nfs/dbraw/zinc/30/08/27/238300827.db2.gz AYMMRFGPZRICRM-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000423242071 238302010 /nfs/dbraw/zinc/30/20/10/238302010.db2.gz YGTLSSCDMDXYKZ-UWVGGRQHSA-N 2 0 271.202 2.837 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423253536 238311341 /nfs/dbraw/zinc/31/13/41/238311341.db2.gz WBQDAXQWYGYZSJ-WCQYABFASA-N 2 0 250.411 2.715 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423254750 238313026 /nfs/dbraw/zinc/31/30/26/238313026.db2.gz ZHZGKBJEMLWFMP-GJZGRUSLSA-N 2 0 284.407 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000156176671 540918203 /nfs/dbraw/zinc/91/82/03/540918203.db2.gz OXQZDUQORJVERE-JKSUJKDBSA-N 2 0 289.467 2.831 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N(C)c1ccccc1 ZINC000156176795 540918206 /nfs/dbraw/zinc/91/82/06/540918206.db2.gz OXQZDUQORJVERE-HZPDHXFCSA-N 2 0 289.467 2.831 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ncc[nH]1 ZINC000353522400 540913436 /nfs/dbraw/zinc/91/34/36/540913436.db2.gz UOJXDKMYTLIAFK-AWEZNQCLSA-N 2 0 264.417 2.717 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cn1 ZINC000423282986 238344145 /nfs/dbraw/zinc/34/41/45/238344145.db2.gz VNEOCFAUAPTNEU-MISXGVKJSA-N 2 0 267.804 2.903 20 0 CFADRP c1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccncn2)cc1 ZINC000423283978 238344198 /nfs/dbraw/zinc/34/41/98/238344198.db2.gz XVKNTCKAKYWMIP-MAUKXSAKSA-N 2 0 296.418 2.545 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423275909 238333811 /nfs/dbraw/zinc/33/38/11/238333811.db2.gz MHPUINFQKPUHKA-HYVNUMGLSA-N 2 0 275.440 2.900 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(OC)c2F)CC1 ZINC000165954154 540924360 /nfs/dbraw/zinc/92/43/60/540924360.db2.gz MBYOFHPIDRXKDX-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c(C)c1 ZINC000666084843 540929936 /nfs/dbraw/zinc/92/99/36/540929936.db2.gz NFXDOMHNIFZRBD-UONOGXRCSA-N 2 0 262.397 2.748 20 0 CFADRP Cc1cc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(C)n1 ZINC000357680640 540955862 /nfs/dbraw/zinc/95/58/62/540955862.db2.gz MHVMIYPEBJZGMQ-GUYCJALGSA-N 2 0 284.407 2.619 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423300164 238357188 /nfs/dbraw/zinc/35/71/88/238357188.db2.gz QZHSAQPWGIBLFH-ZJUUUORDSA-N 2 0 256.777 2.594 20 0 CFADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423303073 238359624 /nfs/dbraw/zinc/35/96/24/238359624.db2.gz WMNNLSPUISEYHS-GHMZBOCLSA-N 2 0 290.436 2.759 20 0 CFADRP FC(F)(F)c1cccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)c1 ZINC000423304701 238361241 /nfs/dbraw/zinc/36/12/41/238361241.db2.gz OVBCOSZGXMBFBP-AWEZNQCLSA-N 2 0 284.325 2.966 20 0 CFADRP Clc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423305543 238362693 /nfs/dbraw/zinc/36/26/93/238362693.db2.gz RDMQELGPWVDFNE-CABCVRRESA-N 2 0 264.800 2.785 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000158188024 540969125 /nfs/dbraw/zinc/96/91/25/540969125.db2.gz QJKNIOQSGGTQGS-MLGOLLRUSA-N 2 0 262.372 2.744 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1F ZINC000423334082 238386393 /nfs/dbraw/zinc/38/63/93/238386393.db2.gz QKNDBBXGQGTXMN-LBPRGKRZSA-N 2 0 280.387 2.875 20 0 CFADRP Clc1ccc([C@H]2CC[C@@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423337494 238388456 /nfs/dbraw/zinc/38/84/56/238388456.db2.gz YJJSWRUFYQRVEA-DZGCQCFKSA-N 2 0 264.800 2.785 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423337145 238388568 /nfs/dbraw/zinc/38/85/68/238388568.db2.gz HJCWMTFUFRTAGI-IRXDYDNUSA-N 2 0 274.383 2.971 20 0 CFADRP CCN(Cc1ccccn1)Cc1cccc2nccn21 ZINC000180200064 189242977 /nfs/dbraw/zinc/24/29/77/189242977.db2.gz BRUVGNUDFZKXTH-UHFFFAOYSA-N 2 0 266.348 2.751 20 0 CFADRP CC[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1C[C@@H]1C ZINC000666120655 540999893 /nfs/dbraw/zinc/99/98/93/540999893.db2.gz UABQAIZTZDBAEN-KKUMJFAQSA-N 2 0 288.439 2.680 20 0 CFADRP CC[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000666120649 540999943 /nfs/dbraw/zinc/99/99/43/540999943.db2.gz UABQAIZTZDBAEN-ILXRZTDVSA-N 2 0 288.439 2.680 20 0 CFADRP C[C@@H](O)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000666127344 541004972 /nfs/dbraw/zinc/00/49/72/541004972.db2.gz OHPDNKQOEGZANX-LSDHHAIUSA-N 2 0 276.424 2.531 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000180544838 189261464 /nfs/dbraw/zinc/26/14/64/189261464.db2.gz IBFHZIZQKISHQA-HOCLYGCPSA-N 2 0 276.424 2.700 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423448229 238462919 /nfs/dbraw/zinc/46/29/19/238462919.db2.gz USQIKCOZUBNYSL-RRQGHBQHSA-N 2 0 287.451 2.791 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000423492466 238493713 /nfs/dbraw/zinc/49/37/13/238493713.db2.gz NESBLHGGGSAWAX-LOWVWBTDSA-N 2 0 266.360 2.612 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cnn(C)c1 ZINC000423512489 238505669 /nfs/dbraw/zinc/50/56/69/238505669.db2.gz USLZQDZLCFHISA-XJKSGUPXSA-N 2 0 272.396 2.551 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423483048 238486860 /nfs/dbraw/zinc/48/68/60/238486860.db2.gz PRMQFGLWVVZVKK-LSDHHAIUSA-N 2 0 275.440 2.935 20 0 CFADRP C[N@H+](CCCOC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671724775 541058454 /nfs/dbraw/zinc/05/84/54/541058454.db2.gz GXZQJFQIIDWHDS-YIONKMFJSA-N 2 0 268.445 2.749 20 0 CFADRP CC(C)[NH+]1CCC(N(CCC[NH3+])c2cccc(F)c2)CC1 ZINC000183218557 189350735 /nfs/dbraw/zinc/35/07/35/189350735.db2.gz XUIDGOAOJBCREE-UHFFFAOYSA-N 2 0 293.430 2.854 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000666614333 541120536 /nfs/dbraw/zinc/12/05/36/541120536.db2.gz ZOYPKMHKSHMXIP-DZGCQCFKSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCCC[NH2+]3)CC2)C1 ZINC000666770071 541142709 /nfs/dbraw/zinc/14/27/09/541142709.db2.gz KGAWVXCYQHZVHZ-KBAYOESNSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc3cnccc3c2)CCC[NH2+]C1 ZINC000666844138 541150726 /nfs/dbraw/zinc/15/07/26/541150726.db2.gz IHKNMJOXSGNRQP-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000666857831 541152580 /nfs/dbraw/zinc/15/25/80/541152580.db2.gz LCWVIBCEVOTVHE-ZFWWWQNUSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccc(C[NH3+])cc1 ZINC000666864081 541154152 /nfs/dbraw/zinc/15/41/52/541154152.db2.gz UGJWAVFIUHWNQY-CZUORRHYSA-N 2 0 261.413 2.868 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000666746530 541138178 /nfs/dbraw/zinc/13/81/78/541138178.db2.gz YMJKNSOINBFFJV-DOTOQJQBSA-N 2 0 269.392 2.842 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952393 541165905 /nfs/dbraw/zinc/16/59/05/541165905.db2.gz UWXXOFITIOGQRE-KRWDZBQOSA-N 2 0 288.435 2.953 20 0 CFADRP CC1(C)CCC(C[NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666952154 541165932 /nfs/dbraw/zinc/16/59/32/541165932.db2.gz HXUAKVLQHFUBIP-AWEZNQCLSA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666952265 541166049 /nfs/dbraw/zinc/16/60/49/541166049.db2.gz NIWYYDQEEGWUGD-LBPRGKRZSA-N 2 0 279.453 2.672 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000666995373 541171514 /nfs/dbraw/zinc/17/15/14/541171514.db2.gz LSGCMIFECAVCKW-OAHLLOKOSA-N 2 0 279.472 2.514 20 0 CFADRP O=c1[nH]c2ccccc2cc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998232 541172108 /nfs/dbraw/zinc/17/21/08/541172108.db2.gz IVWIQWVXWGEAAS-HNNXBMFYSA-N 2 0 297.402 2.705 20 0 CFADRP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C(C1CC1)C1CC1 ZINC000667565337 541258871 /nfs/dbraw/zinc/25/88/71/541258871.db2.gz RKPUKUMWUBFRLP-UHFFFAOYSA-N 2 0 282.391 2.888 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427123726 239284918 /nfs/dbraw/zinc/28/49/18/239284918.db2.gz ZBWCOALOPPVUFO-RDJZCZTQSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1ncc(C[NH+]2CCC(c3ccc(O)cc3)CC2)n1C ZINC000667493638 541243180 /nfs/dbraw/zinc/24/31/80/541243180.db2.gz ZPLBZPIEMNNKQB-UHFFFAOYSA-N 2 0 285.391 2.814 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(-c3ccccc3)no1)C2 ZINC000319581654 541268075 /nfs/dbraw/zinc/26/80/75/541268075.db2.gz IKOHNTOEWPYAMT-YJBOKZPZSA-N 2 0 297.402 2.902 20 0 CFADRP Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)cc[nH+]1 ZINC000302215076 201401509 /nfs/dbraw/zinc/40/15/09/201401509.db2.gz HBUREQOFFGQIDZ-UHFFFAOYSA-N 2 0 297.402 2.591 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000320418753 541300234 /nfs/dbraw/zinc/30/02/34/541300234.db2.gz TUUTWAVZQYBDHH-SFHVURJKSA-N 2 0 298.430 2.678 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041927 239361360 /nfs/dbraw/zinc/36/13/60/239361360.db2.gz AILMYFDGBKTQHH-IRXDYDNUSA-N 2 0 288.435 2.756 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000222927489 541326846 /nfs/dbraw/zinc/32/68/46/541326846.db2.gz NLZSICCTRBFNQI-MVWJERBFSA-N 2 0 254.324 2.885 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667912972 541340895 /nfs/dbraw/zinc/34/08/95/541340895.db2.gz TWJRFDNIWRPADM-HYVNUMGLSA-N 2 0 280.456 2.512 20 0 CFADRP COC(=O)C1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414817655 283752819 /nfs/dbraw/zinc/75/28/19/283752819.db2.gz SOYRVTUYCFZNMG-JQRITLKVSA-N 2 0 290.407 2.528 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667912974 541340660 /nfs/dbraw/zinc/34/06/60/541340660.db2.gz TWJRFDNIWRPADM-PVAVHDDUSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ncc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)n1C ZINC000667959059 541352917 /nfs/dbraw/zinc/35/29/17/541352917.db2.gz COCICGVITISUCJ-GXSJLCMTSA-N 2 0 275.318 2.891 20 0 CFADRP CC(C)(CO)[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccccc1 ZINC000668073814 541379023 /nfs/dbraw/zinc/37/90/23/541379023.db2.gz IHYTWJWWULXJRW-KRWDZBQOSA-N 2 0 299.418 2.679 20 0 CFADRP C[C@H]1c2ccsc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000089749309 291326408 /nfs/dbraw/zinc/32/64/08/291326408.db2.gz UFPSBXWOLSQHRL-RYUDHWBXSA-N 2 0 250.411 2.667 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)C(C)C)CC1)CC1CC1 ZINC000432778005 240041070 /nfs/dbraw/zinc/04/10/70/240041070.db2.gz CKLWODOXEZRGDH-GOSISDBHSA-N 2 0 296.499 2.837 20 0 CFADRP FC(F)(F)c1ccc(CCCN2CCC[NH2+]CC2)cc1 ZINC000225092233 541403806 /nfs/dbraw/zinc/40/38/06/541403806.db2.gz MASAZQNSKBOXCH-UHFFFAOYSA-N 2 0 286.341 2.933 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000433065400 240090976 /nfs/dbraw/zinc/09/09/76/240090976.db2.gz CLGROIUGQVRQHO-YQQAZPJKSA-N 2 0 282.472 2.780 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000435372795 240306628 /nfs/dbraw/zinc/30/66/28/240306628.db2.gz SPBSNFMPLIIATE-GXTWGEPZSA-N 2 0 264.438 2.968 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2c1 ZINC000435379779 240306810 /nfs/dbraw/zinc/30/68/10/240306810.db2.gz NKBLFGVSMYTNQJ-XZJROXQQSA-N 2 0 286.375 2.611 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435378447 240307143 /nfs/dbraw/zinc/30/71/43/240307143.db2.gz ILNQQDCIXJYSEO-XLNGHYISSA-N 2 0 258.409 2.534 20 0 CFADRP COc1ccc2oc(C[N@H+](C)CC(C)(C)C[NH3+])cc2c1 ZINC000435375630 240307207 /nfs/dbraw/zinc/30/72/07/240307207.db2.gz VWYDHGIHEXZIJT-UHFFFAOYSA-N 2 0 276.380 2.858 20 0 CFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000435390122 240309713 /nfs/dbraw/zinc/30/97/13/240309713.db2.gz ACUSRAGPVYVFFD-CABCVRRESA-N 2 0 260.425 2.924 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435388635 240309885 /nfs/dbraw/zinc/30/98/85/240309885.db2.gz IABHFGVPBGPYTI-ZFWWWQNUSA-N 2 0 294.414 2.554 20 0 CFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000435390274 240310415 /nfs/dbraw/zinc/31/04/15/240310415.db2.gz OSUFFWOYIVVNJI-MRXNPFEDSA-N 2 0 290.451 2.695 20 0 CFADRP CC[N@H+](CCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435612792 240331230 /nfs/dbraw/zinc/33/12/30/240331230.db2.gz HLOPUVCUYUYGOT-OAHLLOKOSA-N 2 0 262.397 2.529 20 0 CFADRP CC[N@H+](CCOc1ccccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435618369 240331748 /nfs/dbraw/zinc/33/17/48/240331748.db2.gz QKXDJOHPQZJRFX-HNNXBMFYSA-N 2 0 292.423 2.538 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623156 240332188 /nfs/dbraw/zinc/33/21/88/240332188.db2.gz UECXVIFPRQOZIX-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435395281 240313045 /nfs/dbraw/zinc/31/30/45/240313045.db2.gz RSPKJWISSQPVTB-OAHLLOKOSA-N 2 0 262.397 2.659 20 0 CFADRP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1SC ZINC000435438435 240313884 /nfs/dbraw/zinc/31/38/84/240313884.db2.gz PUWFYMVZZUFQCM-CQSZACIVSA-N 2 0 294.464 2.991 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccc(F)cc1 ZINC000275798621 193131331 /nfs/dbraw/zinc/13/13/31/193131331.db2.gz ZRDRAIKMUFOWAQ-KGLIPLIRSA-N 2 0 264.388 2.813 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442804254 241003747 /nfs/dbraw/zinc/00/37/47/241003747.db2.gz VZMQFTJYPYXQMU-BBRMVZONSA-N 2 0 271.408 2.640 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000442880686 241012157 /nfs/dbraw/zinc/01/21/57/241012157.db2.gz XTOSFXJUWNPPKO-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000442922766 241020982 /nfs/dbraw/zinc/02/09/82/241020982.db2.gz KVSWDSKQGGVJGV-PEXHTFQZSA-N 2 0 262.372 2.900 20 0 CFADRP Cc1ccccc1[C@@H]([C@@H](C)NC1CC[NH+](C)CC1)[NH+](C)C ZINC000443199895 241047056 /nfs/dbraw/zinc/04/70/56/241047056.db2.gz RSENBXALCUNXCV-CRAIPNDOSA-N 2 0 289.467 2.670 20 0 CFADRP Cc1cccc2c(NC[C@H](C)[NH+](C)C)c(C)c[nH+]c12 ZINC000443450805 241063336 /nfs/dbraw/zinc/06/33/36/241063336.db2.gz GEFLFZNBVQPXCE-ZDUSSCGKSA-N 2 0 257.381 2.636 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)C1CCCC1 ZINC000446839056 241332941 /nfs/dbraw/zinc/33/29/41/241332941.db2.gz OSSGHGOMSNWODH-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc(C)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446883869 241334353 /nfs/dbraw/zinc/33/43/53/241334353.db2.gz KLWPYNAKKQZFPT-UHFFFAOYSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1nc(C)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000446889564 241337019 /nfs/dbraw/zinc/33/70/19/241337019.db2.gz XXJCGVFYIGZSJP-UHFFFAOYSA-N 2 0 279.453 2.724 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000447600108 241391697 /nfs/dbraw/zinc/39/16/97/241391697.db2.gz LSFPDJPRYBIXNZ-QZTJIDSGSA-N 2 0 290.451 2.665 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000447600239 241392830 /nfs/dbraw/zinc/39/28/30/241392830.db2.gz ZZTWVRCKKFGTCP-CQSZACIVSA-N 2 0 298.427 2.530 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000423538296 283937466 /nfs/dbraw/zinc/93/74/66/283937466.db2.gz FYZVYRNMKLEMBR-LLLHUVSDSA-N 2 0 273.424 2.901 20 0 CFADRP Cc1cccc(CC[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000449288206 241821533 /nfs/dbraw/zinc/82/15/33/241821533.db2.gz YETOJNNUNGZDGG-KRWDZBQOSA-N 2 0 290.451 2.628 20 0 CFADRP COc1c(O)cccc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449527587 242005497 /nfs/dbraw/zinc/00/54/97/242005497.db2.gz JOSSYRCTRUNKJB-UHFFFAOYSA-N 2 0 280.412 2.611 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)ccc2F)[C@@H](C)C1 ZINC000449550566 242021313 /nfs/dbraw/zinc/02/13/13/242021313.db2.gz BSKUXFRGHDPJHO-YOEHRIQHSA-N 2 0 278.415 2.997 20 0 CFADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]([NH3+])c1ccccc1 ZINC000449669893 242099749 /nfs/dbraw/zinc/09/97/49/242099749.db2.gz WGTNLPAYGJGHRA-PXAZEXFGSA-N 2 0 295.386 2.564 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000449736630 242124360 /nfs/dbraw/zinc/12/43/60/242124360.db2.gz NJGWICJGUWAWPR-LEUOFYLZSA-N 2 0 288.435 2.573 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCCC2)CN1C1CC1 ZINC000449735007 242125420 /nfs/dbraw/zinc/12/54/20/242125420.db2.gz FOCQDQMVFWCAQL-KGLIPLIRSA-N 2 0 280.456 2.533 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324314 242355995 /nfs/dbraw/zinc/35/59/95/242355995.db2.gz OACUEPSCMSZCTL-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450347978 242369542 /nfs/dbraw/zinc/36/95/42/242369542.db2.gz JMWWVTIJTFFSHR-IRXDYDNUSA-N 2 0 282.472 2.735 20 0 CFADRP C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CCC[NH2+]C1 ZINC000422927310 296112853 /nfs/dbraw/zinc/11/28/53/296112853.db2.gz GBFXPJINDDMHBM-VFTZHOIRSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@@H]([NH2+]CC1(Cc2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000423042785 296118107 /nfs/dbraw/zinc/11/81/07/296118107.db2.gz MBELNLSAZFOMSH-OAHLLOKOSA-N 2 0 272.436 2.987 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](c2ccsc2)N(C)C)CC1 ZINC000675736935 541686231 /nfs/dbraw/zinc/68/62/31/541686231.db2.gz NPEGHYVZDGJAEW-INIZCTEOSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)c2nccn21 ZINC000453057305 243379903 /nfs/dbraw/zinc/37/99/03/243379903.db2.gz HXAMHMRTRJLFAE-HOTGVXAUSA-N 2 0 290.455 2.991 20 0 CFADRP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675885018 541702979 /nfs/dbraw/zinc/70/29/79/541702979.db2.gz DFWDQSAEVARVRT-IYBDPMFKSA-N 2 0 266.388 2.799 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cs1 ZINC000453074282 243390079 /nfs/dbraw/zinc/39/00/79/243390079.db2.gz GYPGJSVIOQDYDS-CQSZACIVSA-N 2 0 295.496 2.733 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000453083926 243393193 /nfs/dbraw/zinc/39/31/93/243393193.db2.gz WIGDSXLGQOSRRI-OAHLLOKOSA-N 2 0 290.455 2.652 20 0 CFADRP C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675831888 541698899 /nfs/dbraw/zinc/69/88/99/541698899.db2.gz SFFDLUMIKGJXGP-XHSDSOJGSA-N 2 0 281.488 2.569 20 0 CFADRP CCC[NH+]1CCC(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000675831571 541699319 /nfs/dbraw/zinc/69/93/19/541699319.db2.gz KWNDFOAZWMDISA-IYBDPMFKSA-N 2 0 281.488 2.713 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2ccc(O)cc2)CC1 ZINC000675891092 541703834 /nfs/dbraw/zinc/70/38/34/541703834.db2.gz IJWUFSIUKRFPDQ-UHFFFAOYSA-N 2 0 276.424 2.789 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1CCC[NH+](CC)CC ZINC000338353666 284083598 /nfs/dbraw/zinc/08/35/98/284083598.db2.gz WYAIJYWIERZGOP-MRXNPFEDSA-N 2 0 270.461 2.999 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228476239 189793235 /nfs/dbraw/zinc/79/32/35/189793235.db2.gz ZATFFHDWGNYKND-GVDBMIGSSA-N 2 0 288.435 2.741 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)[C@H](C)[NH3+] ZINC000261556349 296144577 /nfs/dbraw/zinc/14/45/77/296144577.db2.gz BXVSJLLTZXZQJS-PPEFVZIASA-N 2 0 250.430 2.917 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCCO1 ZINC000346839481 296149448 /nfs/dbraw/zinc/14/94/48/296149448.db2.gz TYRQHEOZGHDVMW-IVSAIRAKSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1ccc(C[C@H](C)[N@H+](C)CCc2cncn2C)cc1 ZINC000459345373 245149273 /nfs/dbraw/zinc/14/92/73/245149273.db2.gz SUXFOQKHIVYREJ-HNNXBMFYSA-N 2 0 271.408 2.834 20 0 CFADRP C[C@H]1[C@H]([NH2+]CCc2cccc(Cl)c2)CCCN1C ZINC000459473202 245190322 /nfs/dbraw/zinc/19/03/22/245190322.db2.gz DOSBTJNWWJGEBM-SWLSCSKDSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCc2cccc(Cl)c2)CCCN1C ZINC000459473184 245190460 /nfs/dbraw/zinc/19/04/60/245190460.db2.gz DOSBTJNWWJGEBM-DOMZBBRYSA-N 2 0 266.816 2.955 20 0 CFADRP CN1CC[C@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)[C@H]2C1 ZINC000459477246 245192357 /nfs/dbraw/zinc/19/23/57/245192357.db2.gz GXZIMHSCTPLBPI-XSLAGTTESA-N 2 0 270.420 2.816 20 0 CFADRP C[C@H]1[C@H]([NH2+]CCc2ccc(Cl)cc2)CCCN1C ZINC000459479212 245192869 /nfs/dbraw/zinc/19/28/69/245192869.db2.gz JZFSXJIVJPXSEE-SWLSCSKDSA-N 2 0 266.816 2.955 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)C1 ZINC000677129343 541824472 /nfs/dbraw/zinc/82/44/72/541824472.db2.gz KLGFHOMDXMZMQP-BZNIZROVSA-N 2 0 280.362 2.884 20 0 CFADRP FC(F)(F)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459537766 245211198 /nfs/dbraw/zinc/21/11/98/245211198.db2.gz NAMAOWFBIDIFSB-UHFFFAOYSA-N 2 0 299.340 2.983 20 0 CFADRP CCn1ccnc1[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459565979 245220439 /nfs/dbraw/zinc/22/04/39/245220439.db2.gz GQLWNXBXOPDCPG-CQSZACIVSA-N 2 0 299.422 2.618 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459726707 245287308 /nfs/dbraw/zinc/28/73/08/245287308.db2.gz GPINZUREYLFRPJ-XHSDSOJGSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1F ZINC000459734855 245293465 /nfs/dbraw/zinc/29/34/65/245293465.db2.gz OQYWPCBETVBUJF-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC000459692386 245275580 /nfs/dbraw/zinc/27/55/80/245275580.db2.gz GYZHIXYMJJZSPA-INIZCTEOSA-N 2 0 288.435 2.625 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459723101 245285215 /nfs/dbraw/zinc/28/52/15/245285215.db2.gz COAXRBAATKGAJU-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459779788 245322031 /nfs/dbraw/zinc/32/20/31/245322031.db2.gz LOXASNUNKFCTGM-HOCLYGCPSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459779777 245322702 /nfs/dbraw/zinc/32/27/02/245322702.db2.gz LOXASNUNKFCTGM-GDBMZVCRSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1nc2c(s1)CCCC2 ZINC000331753293 204125721 /nfs/dbraw/zinc/12/57/21/204125721.db2.gz HJGBLZQCHANUNJ-TUAOUCFPSA-N 2 0 279.453 2.800 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000462807615 245390513 /nfs/dbraw/zinc/39/05/13/245390513.db2.gz YGFGOKDDKBQRJO-WMLDXEAASA-N 2 0 258.409 2.802 20 0 CFADRP C[C@H](c1cccc(Br)c1)N1CCC([NH3+])CC1 ZINC000020521470 372239516 /nfs/dbraw/zinc/23/95/16/372239516.db2.gz TYHRSIMYZPCOOI-SNVBAGLBSA-N 2 0 283.213 2.933 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000036908679 372609907 /nfs/dbraw/zinc/60/99/07/372609907.db2.gz ZNPGIWLEHAUWCO-WWGRRREGSA-N 2 0 264.388 2.687 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000037762804 372700841 /nfs/dbraw/zinc/70/08/41/372700841.db2.gz OKDYZMXPXMSGCS-JKIFEVAISA-N 2 0 276.424 2.651 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000037374251 372664101 /nfs/dbraw/zinc/66/41/01/372664101.db2.gz UIZCOXSEVGIBON-CQSZACIVSA-N 2 0 282.391 2.796 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000037643735 372677889 /nfs/dbraw/zinc/67/78/89/372677889.db2.gz VCRZDLREYXRBRL-CYBMUJFWSA-N 2 0 252.789 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000037644233 372680246 /nfs/dbraw/zinc/68/02/46/372680246.db2.gz LQEFMQNYODAKFP-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000037649158 372685265 /nfs/dbraw/zinc/68/52/65/372685265.db2.gz WWFIXICTRKBZGZ-OLZOCXBDSA-N 2 0 260.381 2.527 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000037680447 372688285 /nfs/dbraw/zinc/68/82/85/372688285.db2.gz AYTCGJOWFYYLJV-DVOMOZLQSA-N 2 0 262.397 2.514 20 0 CFADRP CC(C)COc1ccc([C@H](C)[NH2+]CCC[NH3+])cc1 ZINC000037713471 372690931 /nfs/dbraw/zinc/69/09/31/372690931.db2.gz PYIYRAAJCOFILU-ZDUSSCGKSA-N 2 0 250.386 2.721 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]CCCC[NH3+] ZINC000037715304 372692432 /nfs/dbraw/zinc/69/24/32/372692432.db2.gz LVASBEPRHJNCLY-UHFFFAOYSA-N 2 0 258.365 2.677 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccccc1Br ZINC000037714824 372692577 /nfs/dbraw/zinc/69/25/77/372692577.db2.gz RJRJSIODOZMSLR-SNVBAGLBSA-N 2 0 271.202 2.839 20 0 CFADRP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(F)c1 ZINC000571332893 383685952 /nfs/dbraw/zinc/68/59/52/383685952.db2.gz CQGWEWSEMAWYFP-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000333327651 205221347 /nfs/dbraw/zinc/22/13/47/205221347.db2.gz VPFCPHXNAHLNIS-QKGCVVFFSA-N 2 0 279.428 2.591 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000044513169 373004924 /nfs/dbraw/zinc/00/49/24/373004924.db2.gz NPIWMYWBEOILJK-UHFFFAOYSA-N 2 0 273.355 2.545 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1nc2ccccc2n1C ZINC000045663209 373027108 /nfs/dbraw/zinc/02/71/08/373027108.db2.gz SADMPEAYAIWUMK-CYBMUJFWSA-N 2 0 274.412 2.566 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000051756219 373408907 /nfs/dbraw/zinc/40/89/07/373408907.db2.gz RUNLNRBPTPACAZ-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000053659187 373483420 /nfs/dbraw/zinc/48/34/20/373483420.db2.gz IDBXXJGCAYPGNG-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000053659192 373484535 /nfs/dbraw/zinc/48/45/35/373484535.db2.gz GXNOCPKXDIDIFH-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000571414610 383692272 /nfs/dbraw/zinc/69/22/72/383692272.db2.gz UWQWHFBWASTLKI-AAEUAGOBSA-N 2 0 294.370 2.535 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)ccc1O ZINC000057994041 373620530 /nfs/dbraw/zinc/62/05/30/373620530.db2.gz BYSCHCXDCKAYNU-CQSZACIVSA-N 2 0 292.423 2.612 20 0 CFADRP CCc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252882848 220229325 /nfs/dbraw/zinc/22/93/25/220229325.db2.gz ZSFLTIQZGPOYBE-YESZJQIVSA-N 2 0 258.409 2.808 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)s1 ZINC000252875485 220229697 /nfs/dbraw/zinc/22/96/97/220229697.db2.gz VQRFFRFKGMUUJG-QEJZJMRPSA-N 2 0 264.438 2.924 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000063197710 373794598 /nfs/dbraw/zinc/79/45/98/373794598.db2.gz OEGQSPIIQLXMSG-MRXNPFEDSA-N 2 0 280.362 2.929 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@H](C)C[NH+](C)C)c2c1 ZINC000489017776 245919414 /nfs/dbraw/zinc/91/94/14/245919414.db2.gz UIKHJPHQNFTECE-ZDUSSCGKSA-N 2 0 257.381 2.575 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cccc2c1CC[C@H]2[NH3+] ZINC001168768245 781965188 /nfs/dbraw/zinc/96/51/88/781965188.db2.gz AWEDJNIJKXUMEX-CQSZACIVSA-N 2 0 261.413 2.632 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074280 374121941 /nfs/dbraw/zinc/12/19/41/374121941.db2.gz PSLHCTFHMRDDKF-AWEZNQCLSA-N 2 0 262.397 2.564 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148717 374129941 /nfs/dbraw/zinc/12/99/41/374129941.db2.gz DPTOIUVMLPBVBY-OAHLLOKOSA-N 2 0 262.397 2.789 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000070170722 374135797 /nfs/dbraw/zinc/13/57/97/374135797.db2.gz WKTQTQPCMCMBSG-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000070169351 374135853 /nfs/dbraw/zinc/13/58/53/374135853.db2.gz CFPINTZQHSSMMU-LBPRGKRZSA-N 2 0 252.789 2.901 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000070174786 374141387 /nfs/dbraw/zinc/14/13/87/374141387.db2.gz VBOKEDNIOBNOCI-TZMCWYRMSA-N 2 0 287.382 2.933 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000070315900 374164950 /nfs/dbraw/zinc/16/49/50/374164950.db2.gz UWTFBKZXYSITJQ-CYBMUJFWSA-N 2 0 277.412 2.594 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000677755763 541902600 /nfs/dbraw/zinc/90/26/00/541902600.db2.gz PSCFRRAFADTKOJ-NSHDSACASA-N 2 0 267.442 2.834 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](C)C[NH+](C)C ZINC000571473153 383698541 /nfs/dbraw/zinc/69/85/41/383698541.db2.gz XKSQTHHAFCINLM-CZUORRHYSA-N 2 0 276.424 2.860 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070984087 374210739 /nfs/dbraw/zinc/21/07/39/374210739.db2.gz ACYCELSHOBRBGB-OAHLLOKOSA-N 2 0 262.397 2.789 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000491025156 246036234 /nfs/dbraw/zinc/03/62/34/246036234.db2.gz VSXIGKKUXQHFML-MLGOLLRUSA-N 2 0 278.827 2.955 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070534418 374190556 /nfs/dbraw/zinc/19/05/56/374190556.db2.gz VGUWEYFHNQKGIC-CQSZACIVSA-N 2 0 262.397 2.646 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc2cccnc12 ZINC000491593514 246085868 /nfs/dbraw/zinc/08/58/68/246085868.db2.gz GXCRXRIDSAXESK-CYBMUJFWSA-N 2 0 271.408 2.831 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1Cl ZINC000491558840 246080190 /nfs/dbraw/zinc/08/01/90/246080190.db2.gz HFYOXOLXFHSIQB-LLVKDONJSA-N 2 0 254.805 2.936 20 0 CFADRP CSCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835345 374506021 /nfs/dbraw/zinc/50/60/21/374506021.db2.gz HNDCFSUMRPHOCI-AWEZNQCLSA-N 2 0 256.459 2.547 20 0 CFADRP CSCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835343 374506110 /nfs/dbraw/zinc/50/61/10/374506110.db2.gz HNDCFSUMRPHOCI-CQSZACIVSA-N 2 0 256.459 2.547 20 0 CFADRP CC(C)C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678133240 541954562 /nfs/dbraw/zinc/95/45/62/541954562.db2.gz YOPYAXSQYRAHKV-UHFFFAOYSA-N 2 0 264.413 2.715 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000081095279 374686150 /nfs/dbraw/zinc/68/61/50/374686150.db2.gz ISXNMLGKLSBLKS-CJNGLKHVSA-N 2 0 264.388 2.988 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000087406583 374820182 /nfs/dbraw/zinc/82/01/82/374820182.db2.gz SDAOWZNWURLUGO-KGLIPLIRSA-N 2 0 280.460 2.890 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000084220136 374770208 /nfs/dbraw/zinc/77/02/08/374770208.db2.gz WBRYKEGIVWYQLV-PSASIEDQSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089147856 374875178 /nfs/dbraw/zinc/87/51/78/374875178.db2.gz ZHYOVVOGTIFESD-DGCLKSJQSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000089147765 374875332 /nfs/dbraw/zinc/87/53/32/374875332.db2.gz RHRASXMNFDOJQH-PWSUYJOCSA-N 2 0 270.323 2.505 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000089147949 374875711 /nfs/dbraw/zinc/87/57/11/374875711.db2.gz YSSBSQPQZIXLGG-CVEARBPZSA-N 2 0 271.408 2.748 20 0 CFADRP CCn1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c2ccccc21 ZINC000089173639 374884224 /nfs/dbraw/zinc/88/42/24/374884224.db2.gz NGRLTHSKQIQPEA-ZDUSSCGKSA-N 2 0 286.423 2.615 20 0 CFADRP Cc1ncc(CN[C@@H](C)c2c(F)cccc2F)n1C ZINC000571537159 383704283 /nfs/dbraw/zinc/70/42/83/383704283.db2.gz DEEAIKXKILOONN-VIFPVBQESA-N 2 0 265.307 2.858 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC000089735990 374944722 /nfs/dbraw/zinc/94/47/22/374944722.db2.gz IFHWCFPHMZCXPR-NVXWUHKLSA-N 2 0 260.425 2.857 20 0 CFADRP CCn1cncc1C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000090169771 374995021 /nfs/dbraw/zinc/99/50/21/374995021.db2.gz IRSWZPFRILCPQE-AWEZNQCLSA-N 2 0 266.433 2.503 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C[C@H]1C[NH3+] ZINC000253195188 189986009 /nfs/dbraw/zinc/98/60/09/189986009.db2.gz REWMDOCPPHVWHP-SWLSCSKDSA-N 2 0 287.382 2.791 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678264096 541990348 /nfs/dbraw/zinc/99/03/48/541990348.db2.gz LBJAZQSGOQSIEY-AWEZNQCLSA-N 2 0 258.409 2.948 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CC2 ZINC000092836863 375162667 /nfs/dbraw/zinc/16/26/67/375162667.db2.gz MGEIJXKRHQAJBL-MLGOLLRUSA-N 2 0 262.397 2.612 20 0 CFADRP C1=C(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)COCC1 ZINC000093016797 375174959 /nfs/dbraw/zinc/17/49/59/375174959.db2.gz JAXYHHPGIZMGKB-QGZVFWFLSA-N 2 0 292.467 2.921 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093062751 375181065 /nfs/dbraw/zinc/18/10/65/375181065.db2.gz UXUWXEHMVOFWTQ-AWEZNQCLSA-N 2 0 264.413 2.763 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092561135 375123862 /nfs/dbraw/zinc/12/38/62/375123862.db2.gz KNQYHWORHVXZCX-QZTJIDSGSA-N 2 0 295.515 2.820 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3=CCCOC3)C2)CC1 ZINC000092587807 375126366 /nfs/dbraw/zinc/12/63/66/375126366.db2.gz UDNRDQDFCHQDRH-KRWDZBQOSA-N 2 0 292.467 2.777 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccco3)CC2)C[C@@H](C)O1 ZINC000092587401 375126883 /nfs/dbraw/zinc/12/68/83/375126883.db2.gz FTGULAWZHMRBPW-HUUCEWRRSA-N 2 0 292.423 2.601 20 0 CFADRP C[N@@H+](CCc1cccs1)CCC1CC[NH2+]CC1 ZINC000093291903 375203112 /nfs/dbraw/zinc/20/31/12/375203112.db2.gz VEBOVLUKIDQNAS-UHFFFAOYSA-N 2 0 252.427 2.612 20 0 CFADRP C[C@@H](CCO)[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000093311078 375206086 /nfs/dbraw/zinc/20/60/86/375206086.db2.gz WVBVEVXWQCNNRO-WMZOPIPTSA-N 2 0 290.451 2.744 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491010 375254632 /nfs/dbraw/zinc/25/46/32/375254632.db2.gz JZNUGOIDHZGEJN-OKZBNKHCSA-N 2 0 293.499 2.763 20 0 CFADRP Cc1ccc(O)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000093688402 375297974 /nfs/dbraw/zinc/29/79/74/375297974.db2.gz UIICEUUOBHJHJG-UHFFFAOYSA-N 2 0 291.439 2.649 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3[nH]ccc32)C1 ZINC000093770719 375310383 /nfs/dbraw/zinc/31/03/83/375310383.db2.gz IIRUQARIMYDVMZ-AWEZNQCLSA-N 2 0 271.408 2.942 20 0 CFADRP C[N@@H+](Cc1ccc(OC(F)F)cc1)CC1CC[NH2+]CC1 ZINC000094011052 375335828 /nfs/dbraw/zinc/33/58/28/375335828.db2.gz SNLZKYBFAHQNOW-UHFFFAOYSA-N 2 0 284.350 2.719 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000094080156 375339696 /nfs/dbraw/zinc/33/96/96/375339696.db2.gz BGARBYHGZHKULR-PKSQDBQZSA-N 2 0 266.360 2.755 20 0 CFADRP [NH3+]CCCOC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000094072933 375339771 /nfs/dbraw/zinc/33/97/71/375339771.db2.gz YBNZVNVFYNFARK-XBXARRHUSA-N 2 0 274.408 2.530 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094422838 375360991 /nfs/dbraw/zinc/36/09/91/375360991.db2.gz KOHXNVKIPTYTIR-AWEZNQCLSA-N 2 0 268.445 2.795 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000094519510 375365328 /nfs/dbraw/zinc/36/53/28/375365328.db2.gz LAIBDLDJNYKBCZ-UHFFFAOYSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1ccc2cc(C[NH2+]CCCn3ccnc3)ccc2n1 ZINC000097861363 375586644 /nfs/dbraw/zinc/58/66/44/375586644.db2.gz RINFGURVCZEGPS-UHFFFAOYSA-N 2 0 280.375 2.920 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000513656220 247225707 /nfs/dbraw/zinc/22/57/07/247225707.db2.gz QTNMJGARNIGVAN-RCCFBDPRSA-N 2 0 272.436 3.000 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000678599608 542049151 /nfs/dbraw/zinc/04/91/51/542049151.db2.gz YXANKJVINRZLNQ-OWCLPIDISA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)CC3CC3)CC2)C1 ZINC000678607707 542053764 /nfs/dbraw/zinc/05/37/64/542053764.db2.gz QLDHFPZFTSHGGT-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP c1cc2c(cccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000112341356 375906412 /nfs/dbraw/zinc/90/64/12/375906412.db2.gz LZDVFCPCIRPQEF-LSDHHAIUSA-N 2 0 269.392 2.884 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000678773763 542067909 /nfs/dbraw/zinc/06/79/09/542067909.db2.gz SRSQDFUPGNWGGB-MAUKXSAKSA-N 2 0 290.451 2.615 20 0 CFADRP CCC[NH+]1CCC([NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000678774970 542068575 /nfs/dbraw/zinc/06/85/75/542068575.db2.gz VMEXBZJTUSLFGI-UHFFFAOYSA-N 3 0 281.488 2.571 20 0 CFADRP COCC1(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)CCC1 ZINC000645485649 383711083 /nfs/dbraw/zinc/71/10/83/383711083.db2.gz OHKUYDBJGDUTJR-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000113516274 376023755 /nfs/dbraw/zinc/02/37/55/376023755.db2.gz DJHZBYJYLOUMEM-AWEZNQCLSA-N 2 0 296.842 2.992 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000117879362 376263416 /nfs/dbraw/zinc/26/34/16/376263416.db2.gz UWAFQKPJVBGQHQ-UHFFFAOYSA-N 2 0 296.455 2.670 20 0 CFADRP Cn1cccc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000119288648 376386993 /nfs/dbraw/zinc/38/69/93/376386993.db2.gz ISEYYDCCKUXCHM-UHFFFAOYSA-N 2 0 275.371 2.516 20 0 CFADRP CC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119677366 376450414 /nfs/dbraw/zinc/45/04/14/376450414.db2.gz IJTSJANYIUTFSG-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccs1 ZINC000120902316 376719856 /nfs/dbraw/zinc/71/98/56/376719856.db2.gz QTUVDNJNBZRBDS-HUUCEWRRSA-N 2 0 295.496 2.672 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000120788730 376694129 /nfs/dbraw/zinc/69/41/29/376694129.db2.gz HGRQSZWKUYVYIQ-ZFWWWQNUSA-N 2 0 295.496 2.591 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000120850378 376705297 /nfs/dbraw/zinc/70/52/97/376705297.db2.gz AFYVBKRQHAXQFT-SJLPKXTDSA-N 2 0 289.467 2.611 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](CCCC2CCCC2)CC1 ZINC000121111680 376761586 /nfs/dbraw/zinc/76/15/86/376761586.db2.gz AGNSQIXGTHZFFB-UHFFFAOYSA-N 2 0 282.472 2.735 20 0 CFADRP C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000121177457 376775295 /nfs/dbraw/zinc/77/52/95/376775295.db2.gz HEMBIRSYWLBMRV-OAHLLOKOSA-N 2 0 298.434 2.735 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+]CC(C)(C)C)cc1 ZINC000678931201 542094474 /nfs/dbraw/zinc/09/44/74/542094474.db2.gz LLDCZLMCSNUCJE-UHFFFAOYSA-N 2 0 278.440 2.805 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CC[NH+](C)CC1 ZINC000679078372 542117925 /nfs/dbraw/zinc/11/79/25/542117925.db2.gz LDIQPRSDWSVVCL-LLLHUVSDSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(CO)c1)C[NH+]1CCCC1 ZINC000121323158 376806454 /nfs/dbraw/zinc/80/64/54/376806454.db2.gz JWKSGTXXBXRKHR-GJZGRUSLSA-N 2 0 276.424 2.561 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000121487584 376843820 /nfs/dbraw/zinc/84/38/20/376843820.db2.gz XPJNOIABENIWRY-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CCOCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121589600 376864286 /nfs/dbraw/zinc/86/42/86/376864286.db2.gz UEBMFQCFTANBPH-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121695382 376886448 /nfs/dbraw/zinc/88/64/48/376886448.db2.gz LJJKHRIATZPHOC-BBWFWOEESA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000121702727 376886730 /nfs/dbraw/zinc/88/67/30/376886730.db2.gz UWUOXLFACHUJPY-ZDUSSCGKSA-N 2 0 290.455 2.866 20 0 CFADRP CN(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CCCC1 ZINC000121711554 376888605 /nfs/dbraw/zinc/88/86/05/376888605.db2.gz HXBMSTRMDBPHBM-BBWFWOEESA-N 2 0 292.467 2.798 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000121838139 376917752 /nfs/dbraw/zinc/91/77/52/376917752.db2.gz NWVUNAPKQOCZCU-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000123604135 376959787 /nfs/dbraw/zinc/95/97/87/376959787.db2.gz LUTORWNIHBVZDY-WCQYABFASA-N 2 0 258.365 2.910 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000123653678 376964578 /nfs/dbraw/zinc/96/45/78/376964578.db2.gz IJXKXKYTCPFLNW-INIZCTEOSA-N 2 0 264.413 2.679 20 0 CFADRP COCC[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000124679547 377078166 /nfs/dbraw/zinc/07/81/66/377078166.db2.gz RGQSGVWLFNJEIX-HZPDHXFCSA-N 2 0 278.440 2.912 20 0 CFADRP COCc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)o1 ZINC000125222625 377129386 /nfs/dbraw/zinc/12/93/86/377129386.db2.gz XHJDODIROVFZDS-UHFFFAOYSA-N 2 0 288.391 2.777 20 0 CFADRP CC(C)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000125295463 377138020 /nfs/dbraw/zinc/13/80/20/377138020.db2.gz XOGYTUZIYRDOMM-KBPBESRZSA-N 2 0 256.459 2.544 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000125295895 377138489 /nfs/dbraw/zinc/13/84/89/377138489.db2.gz JABOILHWCHSKRO-AWEZNQCLSA-N 2 0 267.442 2.655 20 0 CFADRP C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)[C@H](c2ccccc2)CO1 ZINC000125308138 377141187 /nfs/dbraw/zinc/14/11/87/377141187.db2.gz JZIJCBKAVSTJQU-NJAFHUGGSA-N 2 0 288.435 2.933 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000126420714 377226264 /nfs/dbraw/zinc/22/62/64/377226264.db2.gz OIJMBOYRKDKTEB-PBHICJAKSA-N 2 0 292.471 2.790 20 0 CFADRP C[C@H]1C[C@H](NCc2ccn(C3CCCC3)n2)CC[N@@H+]1C ZINC000128133027 377320043 /nfs/dbraw/zinc/32/00/43/377320043.db2.gz SJEDRWCFXDMOSX-UONOGXRCSA-N 2 0 276.428 2.571 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529528370 383720437 /nfs/dbraw/zinc/72/04/37/383720437.db2.gz GICOAAWSGHLRPT-OAHLLOKOSA-N 2 0 271.408 2.942 20 0 CFADRP C[C@H](CCC1CCCC1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128626714 377348029 /nfs/dbraw/zinc/34/80/29/377348029.db2.gz DKWHWWRLCDVFCT-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000129515355 377438258 /nfs/dbraw/zinc/43/82/58/377438258.db2.gz YMLNJQOMGHMMBH-HIFRSBDPSA-N 2 0 271.408 2.783 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CCC(C)(C)CC1 ZINC000349682687 284639626 /nfs/dbraw/zinc/63/96/26/284639626.db2.gz CNYRRLSZXHYXAN-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337460137 284640111 /nfs/dbraw/zinc/64/01/11/284640111.db2.gz KCBJKLGKBAJUEN-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC=CCC1 ZINC000679357510 542177857 /nfs/dbraw/zinc/17/78/57/542177857.db2.gz WLFPUDKNJPAOSC-UHFFFAOYSA-N 2 0 286.419 2.923 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000679484642 542196634 /nfs/dbraw/zinc/19/66/34/542196634.db2.gz TXJPVUZMPBPELO-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP CC(C)C[N@@H+]1CC[C@@H](CNc2ccnc(C(C)C)n2)C1 ZINC000130745927 377602963 /nfs/dbraw/zinc/60/29/63/377602963.db2.gz SKFPXHOQVLOADK-AWEZNQCLSA-N 2 0 276.428 2.990 20 0 CFADRP CC1(C)CC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC000130864972 377622443 /nfs/dbraw/zinc/62/24/43/377622443.db2.gz YQHWVHVQQGNCNP-HNNXBMFYSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000130901639 377628772 /nfs/dbraw/zinc/62/87/72/377628772.db2.gz TWLFCGBNYLCYEJ-UHFFFAOYSA-N 2 0 276.424 2.633 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000131608348 377735214 /nfs/dbraw/zinc/73/52/14/377735214.db2.gz WAZCJLVUHUELMR-PWSUYJOCSA-N 2 0 288.313 2.754 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000131680217 377746899 /nfs/dbraw/zinc/74/68/99/377746899.db2.gz OBMBTFQMZCOILK-HIFRSBDPSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000132005756 377789827 /nfs/dbraw/zinc/78/98/27/377789827.db2.gz RIZLOONUJWKKNW-NWDGAFQWSA-N 2 0 252.789 2.990 20 0 CFADRP CC[C@H](CSC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000132450732 377841890 /nfs/dbraw/zinc/84/18/90/377841890.db2.gz FWPMPNSNIPDIIW-CYBMUJFWSA-N 2 0 279.453 2.782 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC000529534769 383723633 /nfs/dbraw/zinc/72/36/33/383723633.db2.gz PMKWBLLNFQLYJM-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000133910716 377967477 /nfs/dbraw/zinc/96/74/77/377967477.db2.gz GZXMPSFBNQVZLM-OAHLLOKOSA-N 2 0 260.425 2.797 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000133980959 377973484 /nfs/dbraw/zinc/97/34/84/377973484.db2.gz OWZPCOFSRNRVTI-SJLPKXTDSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000134179934 377991042 /nfs/dbraw/zinc/99/10/42/377991042.db2.gz QBDYQGVQBHZWNY-KSZLIROESA-N 2 0 294.483 2.805 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000529537391 383724906 /nfs/dbraw/zinc/72/49/06/383724906.db2.gz FIODANZNXNCRGK-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP c1cc(N2CCC([NH2+][C@H]3CCCSC3)CC2)cc[nH+]1 ZINC000136353545 378195750 /nfs/dbraw/zinc/19/57/50/378195750.db2.gz VXPLWDQYXQIBNS-AWEZNQCLSA-N 2 0 277.437 2.536 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000353525073 284690351 /nfs/dbraw/zinc/69/03/51/284690351.db2.gz FNMLZVSWCDWUOU-ZGRYLRDCSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422837991 284691329 /nfs/dbraw/zinc/69/13/29/284691329.db2.gz NJTGTXKFCLBVRC-YYIAUSFCSA-N 2 0 281.488 2.617 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000150958479 378282309 /nfs/dbraw/zinc/28/23/09/378282309.db2.gz AKEMGSPKZWZLQZ-GOSISDBHSA-N 2 0 289.467 2.753 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000150946079 378282640 /nfs/dbraw/zinc/28/26/40/378282640.db2.gz CLCMIRMYCQFXAB-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150984807 378285185 /nfs/dbraw/zinc/28/51/85/378285185.db2.gz QOVCYXIRGZRXKS-INIZCTEOSA-N 2 0 289.467 2.672 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000150986320 378285193 /nfs/dbraw/zinc/28/51/93/378285193.db2.gz MRDSQHRFMFYLJB-OAHLLOKOSA-N 2 0 289.423 2.614 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000150998732 378286481 /nfs/dbraw/zinc/28/64/81/378286481.db2.gz QNWQIPOEJHUJNS-INIZCTEOSA-N 2 0 289.467 2.672 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CCCn1ccnc1 ZINC000149241918 378261782 /nfs/dbraw/zinc/26/17/82/378261782.db2.gz IAMZJDFLYUQINN-HNNXBMFYSA-N 2 0 259.328 2.689 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCCN1C ZINC000151431463 378326658 /nfs/dbraw/zinc/32/66/58/378326658.db2.gz BJUZSZDGCNYTJA-CQSZACIVSA-N 2 0 297.240 2.941 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151780533 378358634 /nfs/dbraw/zinc/35/86/34/378358634.db2.gz HAZQYDJDQBBUKO-WCVJEAGWSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CCc1ccc(F)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152107652 378394890 /nfs/dbraw/zinc/39/48/90/378394890.db2.gz CFECQVJOXJIIOA-AWEZNQCLSA-N 2 0 282.378 2.781 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152415114 378413812 /nfs/dbraw/zinc/41/38/12/378413812.db2.gz XOJFXTBFMPHNJD-SUNYJGFJSA-N 2 0 270.420 2.994 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151850078 378365901 /nfs/dbraw/zinc/36/59/01/378365901.db2.gz QWVQSPNHMHOVOO-DLBZAZTESA-N 2 0 296.499 2.885 20 0 CFADRP CC[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000151900075 378371592 /nfs/dbraw/zinc/37/15/92/378371592.db2.gz JEYQNIHIZGGGIE-SJLPKXTDSA-N 2 0 289.467 2.753 20 0 CFADRP C(C[NH+]1C[C@H]2CCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152879978 378454067 /nfs/dbraw/zinc/45/40/67/378454067.db2.gz JYVBQSUPTFPPNQ-VQHPVUNQSA-N 2 0 262.441 2.840 20 0 CFADRP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCCNc3ccccc31)CC2 ZINC000329725907 378488042 /nfs/dbraw/zinc/48/80/42/378488042.db2.gz BYRYDXPIFCVFRY-WFASDCNBSA-N 2 0 282.391 2.804 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278393106 193961399 /nfs/dbraw/zinc/96/13/99/193961399.db2.gz FYRJCBOYKBFFHS-AWEZNQCLSA-N 2 0 273.424 2.915 20 0 CFADRP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000155174641 378614701 /nfs/dbraw/zinc/61/47/01/378614701.db2.gz CZBFZVIJFMQQGY-GDBMZVCRSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(CO)cc1 ZINC000157922821 378661454 /nfs/dbraw/zinc/66/14/54/378661454.db2.gz UFYKKEXFTVGIPA-HNNXBMFYSA-N 2 0 276.424 2.533 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])CCC2 ZINC000331391269 378681257 /nfs/dbraw/zinc/68/12/57/378681257.db2.gz QFIBYAIFSAIHLI-DMDPSCGWSA-N 2 0 265.426 2.546 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000162864043 378939645 /nfs/dbraw/zinc/93/96/45/378939645.db2.gz FJEKRXOBWAJAFI-KKUMJFAQSA-N 2 0 280.412 2.820 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000348398868 284728031 /nfs/dbraw/zinc/72/80/31/284728031.db2.gz USIIIUKQYBSZJU-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)cc1F ZINC000162983631 378947717 /nfs/dbraw/zinc/94/77/17/378947717.db2.gz YZORIDNKZARCHZ-HSMVNMDESA-N 2 0 282.378 2.826 20 0 CFADRP CO[C@H](C)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000679851004 542244602 /nfs/dbraw/zinc/24/46/02/542244602.db2.gz OKKCCKOGYGHLOE-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC000163404478 378968986 /nfs/dbraw/zinc/96/89/86/378968986.db2.gz OEYOBGWJEPHOJH-HOTGVXAUSA-N 2 0 276.424 2.756 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)C12CCC2 ZINC000164516698 379018014 /nfs/dbraw/zinc/01/80/14/379018014.db2.gz SDOBNLNNKNKUAD-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335279496 379017935 /nfs/dbraw/zinc/01/79/35/379017935.db2.gz PMHHXYHSOVENGC-NSHDSACASA-N 2 0 279.453 2.724 20 0 CFADRP c1cncc(-c2cccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)c2)c1 ZINC000335281213 379021122 /nfs/dbraw/zinc/02/11/22/379021122.db2.gz ZPKMBIPOQSZMIM-MSOLQXFVSA-N 2 0 279.387 2.542 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000164716243 379023223 /nfs/dbraw/zinc/02/32/23/379023223.db2.gz GRQWLPIUSBMGEV-BFQNTYOBSA-N 2 0 282.378 2.826 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000165306208 379035584 /nfs/dbraw/zinc/03/55/84/379035584.db2.gz PHDIUMPVSZEDHT-FUHWJXTLSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)ccc2[nH]1 ZINC000334282444 379029096 /nfs/dbraw/zinc/02/90/96/379029096.db2.gz IAKXLXJGAHZVOU-BLLLJJGKSA-N 2 0 271.408 2.906 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccs1 ZINC000165959834 379046042 /nfs/dbraw/zinc/04/60/42/379046042.db2.gz HHZNRJAGNTVWRC-STQMWFEESA-N 2 0 270.442 2.756 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000166066591 379048592 /nfs/dbraw/zinc/04/85/92/379048592.db2.gz KTZSQORHBLLJSQ-ZFWWWQNUSA-N 2 0 282.428 2.849 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171390531 379296250 /nfs/dbraw/zinc/29/62/50/379296250.db2.gz BDYZKFNCAHQDHY-GOSISDBHSA-N 2 0 290.451 2.772 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCNc3ccccc32)CCC[NH2+]C1 ZINC000335485218 379382565 /nfs/dbraw/zinc/38/25/65/379382565.db2.gz AVBMRFUNYZBOPT-SJORKVTESA-N 2 0 273.424 2.913 20 0 CFADRP C[C@H](C[NH3+])N[C@@H]1CCc2c1ccc(F)c2Br ZINC000335468918 379351598 /nfs/dbraw/zinc/35/15/98/379351598.db2.gz VVMUIMKKJILEMO-RDDDGLTNSA-N 2 0 287.176 2.512 20 0 CFADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335517397 379437648 /nfs/dbraw/zinc/43/76/48/379437648.db2.gz KAZOYGAIOMWNLZ-IAQYHMDHSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000335525701 379452735 /nfs/dbraw/zinc/45/27/35/379452735.db2.gz QHFJJNALLFWRQS-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)ncn3C)CC[NH2+]CC2 ZINC000335543975 379485247 /nfs/dbraw/zinc/48/52/47/379485247.db2.gz OMRQNOFBKDNZLR-CQSZACIVSA-N 2 0 298.434 2.537 20 0 CFADRP Cc1cccc2ncc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n21 ZINC000335545180 379486814 /nfs/dbraw/zinc/48/68/14/379486814.db2.gz XSDSRMUHHPCWRE-HNNXBMFYSA-N 2 0 298.434 2.607 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc4c(n3)CCC4)C2)CC1 ZINC000334564038 379535241 /nfs/dbraw/zinc/53/52/41/379535241.db2.gz QWSYUNUNMPHXRC-KRWDZBQOSA-N 2 0 299.462 2.734 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000335631925 379629576 /nfs/dbraw/zinc/62/95/76/379629576.db2.gz CRQPULAUIWYELW-KGLIPLIRSA-N 2 0 264.438 2.878 20 0 CFADRP Fc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335633586 379632779 /nfs/dbraw/zinc/63/27/79/379632779.db2.gz KMZCOGMXOHFAID-ZIAGYGMSSA-N 2 0 262.372 2.647 20 0 CFADRP CC(=O)c1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000334624291 379647692 /nfs/dbraw/zinc/64/76/92/379647692.db2.gz HMENGWIPEKWAQZ-GOSISDBHSA-N 2 0 286.419 2.807 20 0 CFADRP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000335625166 379619491 /nfs/dbraw/zinc/61/94/91/379619491.db2.gz JCEOCKPKSROHNP-AWEZNQCLSA-N 2 0 284.403 2.686 20 0 CFADRP Cc1ncsc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335673903 379700095 /nfs/dbraw/zinc/70/00/95/379700095.db2.gz AIKNPIOMCMKUEZ-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000173907303 379797322 /nfs/dbraw/zinc/79/73/22/379797322.db2.gz RCXBOPJQVDDGDO-GFCCVEGCSA-N 2 0 268.351 2.738 20 0 CFADRP CC1CCC(O)(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000173957462 379807494 /nfs/dbraw/zinc/80/74/94/379807494.db2.gz ZIYWGIGVRNEQNN-CGZBRXJRSA-N 2 0 282.472 2.734 20 0 CFADRP CSc1ccc(OCCN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000173745287 379772367 /nfs/dbraw/zinc/77/23/67/379772367.db2.gz YQWRSFMFVMJZPY-CQSZACIVSA-N 2 0 294.464 2.671 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174316052 379864017 /nfs/dbraw/zinc/86/40/17/379864017.db2.gz ZWGYNBHCYIIUJY-CAOSSQGBSA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174076367 379825490 /nfs/dbraw/zinc/82/54/90/379825490.db2.gz JXMSQRZFTDTGHU-CCNLRDMRSA-N 2 0 288.435 2.807 20 0 CFADRP Fc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000335779500 379874852 /nfs/dbraw/zinc/87/48/52/379874852.db2.gz FKBAMUTVDMMEPP-BBRMVZONSA-N 2 0 262.372 2.962 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000335048600 379963027 /nfs/dbraw/zinc/96/30/27/379963027.db2.gz DIZIESHSTBYDLC-QOZQQMKHSA-N 2 0 260.381 2.629 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334872863 379936807 /nfs/dbraw/zinc/93/68/07/379936807.db2.gz NQLROKGXYDBZLG-GDBMZVCRSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335011018 379955647 /nfs/dbraw/zinc/95/56/47/379955647.db2.gz DYGJOEXUQKAIFJ-WBVHZDCISA-N 2 0 273.424 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335015464 379956191 /nfs/dbraw/zinc/95/61/91/379956191.db2.gz YYDQMNWBTXQZKP-NVXWUHKLSA-N 2 0 258.409 2.794 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174890121 379957642 /nfs/dbraw/zinc/95/76/42/379957642.db2.gz NIVFGRWHCDQBRE-QGZVFWFLSA-N 2 0 258.409 2.850 20 0 CFADRP C1CC2(C1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335210888 380013905 /nfs/dbraw/zinc/01/39/05/380013905.db2.gz XCKAMGWDDAEAQU-JCYILVPMSA-N 2 0 291.483 2.515 20 0 CFADRP Cc1occc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000335232286 380050840 /nfs/dbraw/zinc/05/08/40/380050840.db2.gz PVBZRSKSFLNCIY-INIZCTEOSA-N 2 0 262.397 2.752 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000335238076 380061593 /nfs/dbraw/zinc/06/15/93/380061593.db2.gz KBLLEFIGVQSXNA-DLBZAZTESA-N 2 0 292.398 2.544 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000335240483 380064074 /nfs/dbraw/zinc/06/40/74/380064074.db2.gz OZYXBRGKVFLFOP-MSOLQXFVSA-N 2 0 288.435 2.713 20 0 CFADRP Fc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000335242590 380068940 /nfs/dbraw/zinc/06/89/40/380068940.db2.gz SSSBFRJVOOFQFX-CYBMUJFWSA-N 2 0 262.372 2.574 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000335228462 380044127 /nfs/dbraw/zinc/04/41/27/380044127.db2.gz JOBUWTMCKQFYOR-OCCSQVGLSA-N 2 0 274.408 2.569 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(Cl)cn3)C2)C1 ZINC000335961422 380165459 /nfs/dbraw/zinc/16/54/59/380165459.db2.gz BPHZBNIUCYWISH-HNNXBMFYSA-N 2 0 279.815 2.653 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(-c2ccncc2)c1 ZINC000336022387 380250630 /nfs/dbraw/zinc/25/06/30/380250630.db2.gz QBLOZQFFWDLOPT-MOPGFXCFSA-N 2 0 293.414 2.790 20 0 CFADRP C(C[C@@H]1CCOC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000645776970 383744367 /nfs/dbraw/zinc/74/43/67/383744367.db2.gz CXIHXRXSXUMONU-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP COCCC[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000178400677 380448675 /nfs/dbraw/zinc/44/86/75/380448675.db2.gz GAUMAMCMMNUYDX-UONOGXRCSA-N 2 0 258.450 2.758 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1C ZINC000178501489 380458486 /nfs/dbraw/zinc/45/84/86/380458486.db2.gz BZNOOWLWNACEGW-MAUKXSAKSA-N 2 0 298.434 2.504 20 0 CFADRP CCC[C@@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178036581 380404289 /nfs/dbraw/zinc/40/42/89/380404289.db2.gz NIXUZCSVHSUWIG-RBSFLKMASA-N 2 0 256.434 2.654 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000178113236 380411083 /nfs/dbraw/zinc/41/10/83/380411083.db2.gz PPAZEJPSTKOTNC-JYJNAYRXSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC000178158066 380415305 /nfs/dbraw/zinc/41/53/05/380415305.db2.gz ANENJTWMFGROGZ-YJBOKZPZSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cs1 ZINC000336574831 380489522 /nfs/dbraw/zinc/48/95/22/380489522.db2.gz DMHCLHWCBIAURX-AWEZNQCLSA-N 2 0 279.453 2.615 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000178976734 380498209 /nfs/dbraw/zinc/49/82/09/380498209.db2.gz IOFFRGNIMCZIFP-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1Cl ZINC000336583440 380503506 /nfs/dbraw/zinc/50/35/06/380503506.db2.gz GQONHWRCDATHSC-DGCLKSJQSA-N 2 0 252.789 2.818 20 0 CFADRP c1oc(-c2ccccc2)nc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336586977 380508713 /nfs/dbraw/zinc/50/87/13/380508713.db2.gz XFDUWXSYLUVEEQ-SFHVURJKSA-N 2 0 297.402 2.917 20 0 CFADRP COC[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396149 380538951 /nfs/dbraw/zinc/53/89/51/380538951.db2.gz PFDJHMSVNPFSKJ-HNNXBMFYSA-N 2 0 291.439 2.655 20 0 CFADRP COC[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396162 380539500 /nfs/dbraw/zinc/53/95/00/380539500.db2.gz PFDJHMSVNPFSKJ-OAHLLOKOSA-N 2 0 291.439 2.655 20 0 CFADRP CC[C@H](C)C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000179596729 380562855 /nfs/dbraw/zinc/56/28/55/380562855.db2.gz XLNZONCVVBIFKA-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP c1cn2c(cccc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000179685319 380571893 /nfs/dbraw/zinc/57/18/93/380571893.db2.gz BCMCPPXWKWWIOY-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC[NH+]2CCC2)C1 ZINC000572014658 383747269 /nfs/dbraw/zinc/74/72/69/383747269.db2.gz DUHKOFHDIITOKR-SJLPKXTDSA-N 2 0 287.451 2.507 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000336794300 380641890 /nfs/dbraw/zinc/64/18/90/380641890.db2.gz BBXXXDQKBUJLJV-OLZOCXBDSA-N 2 0 250.386 2.719 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOC(C)C)C[C@@H]1C ZINC000336701797 380598706 /nfs/dbraw/zinc/59/87/06/380598706.db2.gz GEOVPNNVOKJMET-GJZGRUSLSA-N 2 0 256.434 2.606 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000336716898 380608544 /nfs/dbraw/zinc/60/85/44/380608544.db2.gz QBLUGFJILBWQAC-QGZVFWFLSA-N 2 0 276.424 2.667 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000336718198 380610382 /nfs/dbraw/zinc/61/03/82/380610382.db2.gz REBWBNQDOHVZNX-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000336723333 380613961 /nfs/dbraw/zinc/61/39/61/380613961.db2.gz WAERXJBFZXXPIG-HNNXBMFYSA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCC(C)(C)O2)CC1 ZINC000336804031 380659557 /nfs/dbraw/zinc/65/95/57/380659557.db2.gz DTKFOTTYWCYZRL-OAHLLOKOSA-N 2 0 268.445 2.749 20 0 CFADRP COc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181052773 380730474 /nfs/dbraw/zinc/73/04/74/380730474.db2.gz SXOSYFSNRCPUQJ-CABCVRRESA-N 2 0 292.423 2.536 20 0 CFADRP CC[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000181163180 380750187 /nfs/dbraw/zinc/75/01/87/380750187.db2.gz VHLIXRULVSXLHR-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cccnc1 ZINC000181379240 380784189 /nfs/dbraw/zinc/78/41/89/380784189.db2.gz IRKNKPNGJLYPRX-CYBMUJFWSA-N 2 0 279.347 2.513 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1OC ZINC000181481346 380802626 /nfs/dbraw/zinc/80/26/26/380802626.db2.gz HMVIKMWYAAYSFH-NUEKZKHPSA-N 2 0 280.456 2.654 20 0 CFADRP CSC1(C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000347648223 295572094 /nfs/dbraw/zinc/57/20/94/295572094.db2.gz CEUIMYOBZOCFPE-UHFFFAOYSA-N 2 0 256.459 2.546 20 0 CFADRP Cc1sccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295367599 380812797 /nfs/dbraw/zinc/81/27/97/380812797.db2.gz OEALHEOCIQQLRF-CQSZACIVSA-N 2 0 264.438 2.974 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1(C)C ZINC000181527384 380817345 /nfs/dbraw/zinc/81/73/45/380817345.db2.gz PIPQSQJMYYOOMH-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cnccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000295452994 380863255 /nfs/dbraw/zinc/86/32/55/380863255.db2.gz QHKJVBVJKQPXMD-UHFFFAOYSA-N 2 0 296.418 2.791 20 0 CFADRP CC[N@@H+]1CCc2c(cccc2N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000367951635 380865431 /nfs/dbraw/zinc/86/54/31/380865431.db2.gz RRCYLENCWQUHDX-ZBFHGGJFSA-N 2 0 287.451 2.959 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H](OCC)C2(C)C)CC1 ZINC000181695796 380866813 /nfs/dbraw/zinc/86/68/13/380866813.db2.gz WUJVDTBZLXLUNI-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400973657 380866913 /nfs/dbraw/zinc/86/69/13/380866913.db2.gz QQFRVEPGXJQODD-NRSFXHEJSA-N 2 0 272.436 2.985 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400750307 380866994 /nfs/dbraw/zinc/86/69/94/380866994.db2.gz VJHJZPGLLJHVTJ-ZKYQVNSYSA-N 2 0 252.427 2.718 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1 ZINC000401012243 380867432 /nfs/dbraw/zinc/86/74/32/380867432.db2.gz MYMYZDJMYFFNGI-ADSMDIBLSA-N 2 0 262.372 2.864 20 0 CFADRP Fc1ccc(C[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000347003411 380868209 /nfs/dbraw/zinc/86/82/09/380868209.db2.gz LFAUWLTVQPHSQC-JKSUJKDBSA-N 2 0 276.399 2.690 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000341197343 380827219 /nfs/dbraw/zinc/82/72/19/380827219.db2.gz USQWCVFQWWLJJF-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP c1c2ccccc2nn1[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000367989964 380878477 /nfs/dbraw/zinc/87/84/77/380878477.db2.gz QIHZEKNPNYLFJF-QGZVFWFLSA-N 2 0 298.434 2.769 20 0 CFADRP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346980751 380841369 /nfs/dbraw/zinc/84/13/69/380841369.db2.gz MNPGONBHYXMQOZ-ZWKOTPCHSA-N 2 0 290.451 2.505 20 0 CFADRP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC1CC[NH2+]CC1 ZINC000346981161 380843383 /nfs/dbraw/zinc/84/33/83/380843383.db2.gz MPUNHLKZJJXCKM-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000346995662 380859065 /nfs/dbraw/zinc/85/90/65/380859065.db2.gz BSGOWFLDQGXUSX-ZBFHGGJFSA-N 2 0 298.434 2.944 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000346995576 380859554 /nfs/dbraw/zinc/85/95/54/380859554.db2.gz BMQAYXDOZYHLKH-HNNXBMFYSA-N 2 0 283.419 2.975 20 0 CFADRP C[C@@H](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000400514593 380861698 /nfs/dbraw/zinc/86/16/98/380861698.db2.gz GEKJYFVLUMXLEX-BQFCYCMXSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cnc(C(C)(C)C)s2)CC1 ZINC000347081287 380926162 /nfs/dbraw/zinc/92/61/62/380926162.db2.gz XTUXSYBZUOXQSR-LLVKDONJSA-N 2 0 281.469 3.000 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)c2ccccc21 ZINC000402180997 380882520 /nfs/dbraw/zinc/88/25/20/380882520.db2.gz ACYIIAYCOMNXME-DAXOMENPSA-N 2 0 260.381 2.538 20 0 CFADRP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH3+])C3)s2)cc1 ZINC000347031556 380892055 /nfs/dbraw/zinc/89/20/55/380892055.db2.gz ADQJXNRDPAFAKW-ZDUSSCGKSA-N 2 0 287.432 2.899 20 0 CFADRP Cc1sccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000295506287 380902409 /nfs/dbraw/zinc/90/24/09/380902409.db2.gz YUTHATOYRRYLHZ-SMDDNHRTSA-N 2 0 252.427 2.971 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000347057368 380911413 /nfs/dbraw/zinc/91/14/13/380911413.db2.gz VVHOKYRWTRHUNP-ZDUSSCGKSA-N 2 0 284.407 2.636 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000347064898 380919261 /nfs/dbraw/zinc/91/92/61/380919261.db2.gz DKVKAAWENFWGOK-GOEBONIOSA-N 2 0 276.424 2.871 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000181867320 380921643 /nfs/dbraw/zinc/92/16/43/380921643.db2.gz IVJKCBDFLNEQIQ-CABCVRRESA-N 2 0 289.423 2.821 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCNc2ccccn2)C12CCC2 ZINC000181867281 380921968 /nfs/dbraw/zinc/92/19/68/380921968.db2.gz IVJKCBDFLNEQIQ-GJZGRUSLSA-N 2 0 289.423 2.821 20 0 CFADRP COc1ccc([C@H](C)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347115592 380949201 /nfs/dbraw/zinc/94/92/01/380949201.db2.gz UTSLPLZMBZKVDE-BMFZPTHFSA-N 2 0 274.408 2.625 20 0 CFADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000295574184 380950451 /nfs/dbraw/zinc/95/04/51/380950451.db2.gz AYMNZYOBRNWXGV-QGZVFWFLSA-N 2 0 297.402 2.695 20 0 CFADRP CCC(CC)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000409446329 380962045 /nfs/dbraw/zinc/96/20/45/380962045.db2.gz XUQGDGQQTMQVOG-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(C(F)(F)F)CCC2)CC1 ZINC000353948482 380979000 /nfs/dbraw/zinc/97/90/00/380979000.db2.gz VCQDXOZSMSEOSO-UHFFFAOYSA-N 2 0 264.335 2.793 20 0 CFADRP Cc1cccnc1C1(C[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000368283907 380982140 /nfs/dbraw/zinc/98/21/40/380982140.db2.gz ZLLJQCFOBYFATK-UHFFFAOYSA-N 2 0 287.451 2.884 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000181922543 380938248 /nfs/dbraw/zinc/93/82/48/380938248.db2.gz HJLRQYVAIOAGGH-AWEZNQCLSA-N 2 0 289.423 2.782 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)CC[N@@H+]1C ZINC000353957289 380984263 /nfs/dbraw/zinc/98/42/63/380984263.db2.gz OYCIIEMLUIVMHO-MNOVXSKESA-N 2 0 264.335 2.791 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1Oc1cccnc1 ZINC000347108172 380941998 /nfs/dbraw/zinc/94/19/98/380941998.db2.gz MNKKIIOXFRKOHN-MRXNPFEDSA-N 2 0 297.402 2.963 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368292341 380984343 /nfs/dbraw/zinc/98/43/43/380984343.db2.gz TZKPVCKDZVBKBV-ATNYBXOESA-N 2 0 286.419 2.768 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1CC1(C[NH+]2[C@@H](C)CC[C@@H]2C)COC1 ZINC000182229951 381031184 /nfs/dbraw/zinc/03/11/84/381031184.db2.gz DBWJWHZVSPCOMB-YHUYYLMFSA-N 2 0 280.456 2.749 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2occc2C)CC1 ZINC000354026797 381028669 /nfs/dbraw/zinc/02/86/69/381028669.db2.gz ZGMKTPOHVRDMSY-UHFFFAOYSA-N 2 0 294.439 2.911 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000347184239 380989573 /nfs/dbraw/zinc/98/95/73/380989573.db2.gz HBRQCKVTUDJIHO-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]C1CC(OC)C1)N1CCCC1 ZINC000347194185 380996653 /nfs/dbraw/zinc/99/66/53/380996653.db2.gz RWBGXNXAVYYPHB-UYSNPLJNSA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000411549647 381030870 /nfs/dbraw/zinc/03/08/70/381030870.db2.gz HXBUPHBZXDUDEG-HZPDHXFCSA-N 2 0 282.472 2.782 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000353986310 381001459 /nfs/dbraw/zinc/00/14/59/381001459.db2.gz INUHRHDDAUQLOB-XJKSGUPXSA-N 2 0 278.465 2.979 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000358743263 381049918 /nfs/dbraw/zinc/04/99/18/381049918.db2.gz CANJSAKFKFAFKJ-GDBMZVCRSA-N 2 0 292.471 2.754 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000347306150 381059485 /nfs/dbraw/zinc/05/94/85/381059485.db2.gz AUUNPKOZESLOES-YLFCFFPRSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368568099 381068576 /nfs/dbraw/zinc/06/85/76/381068576.db2.gz PJZDFBBYQPSFLT-UHFFFAOYSA-N 2 0 273.424 2.790 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000354146257 381106538 /nfs/dbraw/zinc/10/65/38/381106538.db2.gz MYDZGIQURTZOAI-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)[C@@H](C)O1 ZINC000295836830 381107857 /nfs/dbraw/zinc/10/78/57/381107857.db2.gz ZFDXAGUOALLVJD-SQDXWYPISA-N 2 0 288.435 2.805 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347394596 381119236 /nfs/dbraw/zinc/11/92/36/381119236.db2.gz PSKWFLZYGDTUOM-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2COCC)C1 ZINC000354211694 381143420 /nfs/dbraw/zinc/14/34/20/381143420.db2.gz NMDCFHZSEGSQEL-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCn2cccn2)C[C@@H]1C ZINC000354219676 381145773 /nfs/dbraw/zinc/14/57/73/381145773.db2.gz DCQREIOVQACING-DLBZAZTESA-N 2 0 292.471 2.858 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000347440557 381152512 /nfs/dbraw/zinc/15/25/12/381152512.db2.gz OMIJDYBPPLVHPX-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1ccsc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289797080 381162658 /nfs/dbraw/zinc/16/26/58/381162658.db2.gz MLFJCBQGXLTIQD-UHFFFAOYSA-N 2 0 295.496 2.514 20 0 CFADRP CN(CCOCC1CCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000341676271 381164597 /nfs/dbraw/zinc/16/45/97/381164597.db2.gz PMYPZPKRSGJBIB-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc2c(c1)COC2 ZINC000295878165 381132270 /nfs/dbraw/zinc/13/22/70/381132270.db2.gz GUNORJGBWVDIEN-UBBHGXQRSA-N 2 0 286.419 2.993 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000347495579 381187506 /nfs/dbraw/zinc/18/75/06/381187506.db2.gz ZAWIPGVWSSFDQZ-XHSDSOJGSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCOc2ccccc21 ZINC000369075697 381190173 /nfs/dbraw/zinc/19/01/73/381190173.db2.gz IKZMFSWUJYCMJH-INIZCTEOSA-N 2 0 288.435 2.970 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000341891324 381200066 /nfs/dbraw/zinc/20/00/66/381200066.db2.gz CVHNNEJNEHEJFB-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000359002449 381207283 /nfs/dbraw/zinc/20/72/83/381207283.db2.gz OWBUZQQIHUPMBT-QAXWGOSPSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)Cn1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000183357573 381259659 /nfs/dbraw/zinc/25/96/59/381259659.db2.gz VKHZYGIBPAJQTD-KRWDZBQOSA-N 2 0 292.471 2.845 20 0 CFADRP CC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1nccn1C ZINC000183365071 381262166 /nfs/dbraw/zinc/26/21/66/381262166.db2.gz LBQNREJQRHTAIN-HOTGVXAUSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1C(C)(C)C1(C)C)CN1CC[NH+](C)CC1 ZINC000354353451 381221234 /nfs/dbraw/zinc/22/12/34/381221234.db2.gz UQAPUUUJVAJDCO-CABCVRRESA-N 2 0 295.515 2.530 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000183198773 381234806 /nfs/dbraw/zinc/23/48/06/381234806.db2.gz HASKZONBRKGOJF-LXZKKBNFSA-N 2 0 280.456 2.654 20 0 CFADRP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)ccn1 ZINC000347583257 381236253 /nfs/dbraw/zinc/23/62/53/381236253.db2.gz PGHKPUKMFXKQGH-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1Cc1ncc(CN(C)C)s1 ZINC000347584137 381237475 /nfs/dbraw/zinc/23/74/75/381237475.db2.gz JWLKMCWCWQDZND-CYBMUJFWSA-N 2 0 267.442 2.825 20 0 CFADRP COC(=O)c1cccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000369341282 381240305 /nfs/dbraw/zinc/24/03/05/381240305.db2.gz CUALTNUXMFIJFA-UHFFFAOYSA-N 2 0 299.374 2.576 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000183233808 381241642 /nfs/dbraw/zinc/24/16/42/381241642.db2.gz IOERPNASCSOSMJ-ZDUSSCGKSA-N 2 0 296.455 2.571 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000290076126 381287767 /nfs/dbraw/zinc/28/77/67/381287767.db2.gz GLXYUKMIXZLORA-KBAYOESNSA-N 2 0 290.451 2.912 20 0 CFADRP Oc1cccc(C[N@H+](CCC2CC[NH2+]CC2)CC2CC2)c1 ZINC000359223949 381297346 /nfs/dbraw/zinc/29/73/46/381297346.db2.gz RJVCCWHCXUFDHH-UHFFFAOYSA-N 2 0 288.435 2.994 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000183676413 381305400 /nfs/dbraw/zinc/30/54/00/381305400.db2.gz IONNNUPXGVGGDB-LSDHHAIUSA-N 2 0 298.471 2.961 20 0 CFADRP Cc1ccc(C[C@H]2CCC[N@H+]2CCc2cncn2C)cc1 ZINC000290066973 381283774 /nfs/dbraw/zinc/28/37/74/381283774.db2.gz PSORKWUITLOOOH-QGZVFWFLSA-N 2 0 283.419 2.978 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183852791 381330167 /nfs/dbraw/zinc/33/01/67/381330167.db2.gz NTLRTKUWPXNTHT-MJBXVCDLSA-N 2 0 284.444 2.569 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000369851229 381342271 /nfs/dbraw/zinc/34/22/71/381342271.db2.gz ITMBWAIIDQHJJL-XOSAIJSUSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000290142718 381318293 /nfs/dbraw/zinc/31/82/93/381318293.db2.gz CHNPODJFUDDROI-NXHRZFHOSA-N 2 0 288.435 2.666 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2COCC)CC1 ZINC000354582310 381351998 /nfs/dbraw/zinc/35/19/98/381351998.db2.gz YREFSLCOQFTWEG-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)OC ZINC000290237349 381353197 /nfs/dbraw/zinc/35/31/97/381353197.db2.gz SGRNVISFVMJVEZ-HOCLYGCPSA-N 2 0 294.439 2.703 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000347804195 381357455 /nfs/dbraw/zinc/35/74/55/381357455.db2.gz ZHPRFYVULMDTKS-OAGGEKHMSA-N 2 0 282.472 2.590 20 0 CFADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1cccs1 ZINC000370162458 381396794 /nfs/dbraw/zinc/39/67/94/381396794.db2.gz OUTBIDSAAATHOX-DGCLKSJQSA-N 2 0 294.468 2.653 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(C)(C)O)C1 ZINC000370167879 381397235 /nfs/dbraw/zinc/39/72/35/381397235.db2.gz WDRWXUWQOCMYOU-HZPDHXFCSA-N 2 0 282.472 2.734 20 0 CFADRP COC[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000184507069 381424089 /nfs/dbraw/zinc/42/40/89/381424089.db2.gz IEUJOKQJECWRKB-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000290430482 381427818 /nfs/dbraw/zinc/42/78/18/381427818.db2.gz LGPJCTZQAMIKSX-ZFWWWQNUSA-N 2 0 264.438 2.973 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000290456281 381435170 /nfs/dbraw/zinc/43/51/70/381435170.db2.gz MRMVFGCLURTWSZ-CXAGYDPISA-N 2 0 271.408 2.940 20 0 CFADRP CCC1CC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC000342622149 381439179 /nfs/dbraw/zinc/43/91/79/381439179.db2.gz CWOVANDRRSFKEN-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000296619412 381475548 /nfs/dbraw/zinc/47/55/48/381475548.db2.gz ZVGBGMZHMXTORG-CYBMUJFWSA-N 2 0 289.423 2.607 20 0 CFADRP COCCN1CC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000342689791 381480560 /nfs/dbraw/zinc/48/05/60/381480560.db2.gz OLUFXWNDLHILHS-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637678 381481703 /nfs/dbraw/zinc/48/17/03/381481703.db2.gz VPJREBLXSFPXNO-XYJFISCASA-N 2 0 295.515 2.959 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)OC ZINC000412978410 381516239 /nfs/dbraw/zinc/51/62/39/381516239.db2.gz PRSYGDFUQZSWDQ-YESZJQIVSA-N 2 0 282.472 2.998 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)OC ZINC000348306683 381495338 /nfs/dbraw/zinc/49/53/38/381495338.db2.gz ZOWDPYNOGCNRPM-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000342720645 381496711 /nfs/dbraw/zinc/49/67/11/381496711.db2.gz CQOPIMCNUDYZLB-JKSUJKDBSA-N 2 0 283.504 2.674 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000370717473 381497082 /nfs/dbraw/zinc/49/70/82/381497082.db2.gz UUOGYYCLUBJDNU-QZTJIDSGSA-N 2 0 293.499 2.811 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2=Cc3ccccc3OC2)C1 ZINC000290622430 381501298 /nfs/dbraw/zinc/50/12/98/381501298.db2.gz XKFWXOYTLHZMLS-ROUUACIJSA-N 2 0 298.430 2.879 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000348385336 381545462 /nfs/dbraw/zinc/54/54/62/381545462.db2.gz WJEHNFLNOGPKCE-IWCQGFGOSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@H](C[NH+](C)C)C1)OCc1ccccc1 ZINC000354920796 381522404 /nfs/dbraw/zinc/52/24/04/381522404.db2.gz PIKFPNSMATVAOO-FUHWJXTLSA-N 2 0 290.451 2.865 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccnc1 ZINC000185059644 381524812 /nfs/dbraw/zinc/52/48/12/381524812.db2.gz RKUPLUBDFLJCTN-ZBFHGGJFSA-N 2 0 261.413 2.854 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)CC[C@@H]2CCCO2)cn1 ZINC000354936014 381529576 /nfs/dbraw/zinc/52/95/76/381529576.db2.gz UHHUJTAHZSZJPG-INIZCTEOSA-N 2 0 262.397 2.824 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cs1 ZINC000296757292 381529852 /nfs/dbraw/zinc/52/98/52/381529852.db2.gz JZNGSADDYIGPDW-LBPRGKRZSA-N 2 0 250.411 2.969 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354987670 381552057 /nfs/dbraw/zinc/55/20/57/381552057.db2.gz ILYYYJFRVAMUSX-GRYCIOLGSA-N 2 0 264.335 2.934 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000414289037 381575736 /nfs/dbraw/zinc/57/57/36/381575736.db2.gz QRXUPLMXKSNZFS-HNNXBMFYSA-N 2 0 276.428 2.529 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000359688286 381557127 /nfs/dbraw/zinc/55/71/27/381557127.db2.gz RBNYGAJQIMRHPT-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000414089852 381559975 /nfs/dbraw/zinc/55/99/75/381559975.db2.gz CYLDGAHIXVDASX-ILXRZTDVSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000348424895 381565083 /nfs/dbraw/zinc/56/50/83/381565083.db2.gz RJXYSPCXRDEJAG-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371207586 381567101 /nfs/dbraw/zinc/56/71/01/381567101.db2.gz LFCJUBWVOMNFSY-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]CCc1cccc(Cl)c1 ZINC000297773287 381570916 /nfs/dbraw/zinc/57/09/16/381570916.db2.gz VRYMKZBWAXVDMM-INIZCTEOSA-N 2 0 298.858 2.829 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848876 381607589 /nfs/dbraw/zinc/60/75/89/381607589.db2.gz GVCLIJQVYSXFKO-BFYDXBDKSA-N 2 0 260.425 2.985 20 0 CFADRP CC(C)C[N@H+](CCC[NH3+])[C@H]1CCCc2cccnc21 ZINC000414753434 381602900 /nfs/dbraw/zinc/60/29/00/381602900.db2.gz MKSAGGMCLOYALT-HNNXBMFYSA-N 2 0 261.413 2.766 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](CC(F)F)CC2CCC2)CC[NH2+]1 ZINC000414739267 381603107 /nfs/dbraw/zinc/60/31/07/381603107.db2.gz CBIDMNMGTOWNQD-WCQYABFASA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)CC[NH2+]1 ZINC000414748740 381603287 /nfs/dbraw/zinc/60/32/87/381603287.db2.gz OTTPTLFYFFMGSZ-UUJFEZESSA-N 2 0 262.441 2.885 20 0 CFADRP C[N@H+](C1CC([NH3+])C1)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000414764767 381604449 /nfs/dbraw/zinc/60/44/49/381604449.db2.gz ATEHSIDUDGOCFB-MYBQVCMBSA-N 2 0 258.409 2.918 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 ZINC000414843792 381606943 /nfs/dbraw/zinc/60/69/43/381606943.db2.gz CWRAQDFUNFAMFS-IJLUTSLNSA-N 2 0 264.335 2.697 20 0 CFADRP Cc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371289378 381584866 /nfs/dbraw/zinc/58/48/66/381584866.db2.gz KLGZCPSQQHZXNF-KZNAEPCWSA-N 2 0 288.435 2.679 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC000371332801 381592752 /nfs/dbraw/zinc/59/27/52/381592752.db2.gz AYEDUHOOIDYMEM-UHFFFAOYSA-N 2 0 281.488 2.523 20 0 CFADRP COC1(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000359748759 381593434 /nfs/dbraw/zinc/59/34/34/381593434.db2.gz OFUAODLRQSETDR-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000414815137 381608147 /nfs/dbraw/zinc/60/81/47/381608147.db2.gz WWJMFZBZZCDELJ-FZMZJTMJSA-N 2 0 250.411 2.692 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414893066 381610328 /nfs/dbraw/zinc/61/03/28/381610328.db2.gz QYSOKOCMITVEDH-SMDDNHRTSA-N 2 0 264.438 2.666 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414901766 381611003 /nfs/dbraw/zinc/61/10/03/381611003.db2.gz GUUGFNHMEBUHGW-JZXOWHBKSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414920461 381611891 /nfs/dbraw/zinc/61/18/91/381611891.db2.gz XSILMTRPOOCLMA-WDEREUQCSA-N 2 0 252.324 2.839 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414930852 381620017 /nfs/dbraw/zinc/62/00/17/381620017.db2.gz BDPFUSZHDWRFNE-ZOWXZIJZSA-N 2 0 266.816 2.859 20 0 CFADRP CCC[C@H](C)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000371423612 381623457 /nfs/dbraw/zinc/62/34/57/381623457.db2.gz DBWVDUIDYFQLDW-HNNXBMFYSA-N 2 0 282.472 2.998 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000414938858 381629177 /nfs/dbraw/zinc/62/91/77/381629177.db2.gz DTAUEURIMUHGNC-FZMZJTMJSA-N 2 0 297.240 2.845 20 0 CFADRP CCCC[C@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298456456 381634869 /nfs/dbraw/zinc/63/48/69/381634869.db2.gz ODRYMHHALGBNRE-MRXNPFEDSA-N 2 0 291.439 2.845 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH2+]1 ZINC000414939926 381631756 /nfs/dbraw/zinc/63/17/56/381631756.db2.gz BKPMGKKECSPYAH-XJKSGUPXSA-N 2 0 274.408 2.706 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)C[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000414941590 381631793 /nfs/dbraw/zinc/63/17/93/381631793.db2.gz AUPBMWIJWFKYBI-HRCADAONSA-N 2 0 270.461 2.805 20 0 CFADRP COC[C@@]1(C[NH2+]C[C@H](C)CCc2ccccc2)CCC[NH2+]1 ZINC000414943161 381633800 /nfs/dbraw/zinc/63/38/00/381633800.db2.gz LPNZDEDADRNOOK-AEFFLSMTSA-N 2 0 290.451 2.614 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414956629 381649149 /nfs/dbraw/zinc/64/91/49/381649149.db2.gz NQASNFRLWATWLN-BBRMVZONSA-N 2 0 262.397 2.561 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000414948083 381639246 /nfs/dbraw/zinc/63/92/46/381639246.db2.gz XKHAKEOWHJXVAJ-LALPHHSUSA-N 2 0 250.361 2.517 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414949260 381640795 /nfs/dbraw/zinc/64/07/95/381640795.db2.gz NJDCWXOPOLHHTH-CYGHRXIMSA-N 2 0 287.451 2.552 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000414950013 381641017 /nfs/dbraw/zinc/64/10/17/381641017.db2.gz FQBBHRZSAFBWNA-CHWSQXEVSA-N 2 0 282.403 2.601 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414956211 381650337 /nfs/dbraw/zinc/65/03/37/381650337.db2.gz UZQIWYWNHAWGPG-GOEBONIOSA-N 2 0 276.424 2.952 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000355150242 381644815 /nfs/dbraw/zinc/64/48/15/381644815.db2.gz KSIKXSOXEHBFEW-UHFFFAOYSA-N 2 0 260.372 2.884 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000414953316 381645170 /nfs/dbraw/zinc/64/51/70/381645170.db2.gz RJNPITIGEHOQKJ-PBHICJAKSA-N 2 0 298.434 2.626 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414962927 381658485 /nfs/dbraw/zinc/65/84/85/381658485.db2.gz TUATXRZUXBSUEJ-BBRMVZONSA-N 2 0 262.397 2.563 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414962003 381658783 /nfs/dbraw/zinc/65/87/83/381658783.db2.gz RZRSUCFAJBXKTN-HYVNUMGLSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414966312 381662272 /nfs/dbraw/zinc/66/22/72/381662272.db2.gz WGDBNBZCCXHIGG-PBHICJAKSA-N 2 0 281.403 2.836 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414969020 381665618 /nfs/dbraw/zinc/66/56/18/381665618.db2.gz YXRIOHNXFAUMJO-ZFWWWQNUSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414969011 381666120 /nfs/dbraw/zinc/66/61/20/381666120.db2.gz YXRIOHNXFAUMJO-DZGCQCFKSA-N 2 0 292.423 2.572 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414968844 381666317 /nfs/dbraw/zinc/66/63/17/381666317.db2.gz FSCGOOWYMZAPPS-CVEARBPZSA-N 2 0 282.472 2.951 20 0 CFADRP CCCc1csc(C[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000414970634 381668210 /nfs/dbraw/zinc/66/82/10/381668210.db2.gz VOBFONANBGLXGA-LBPRGKRZSA-N 2 0 267.442 2.717 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000414977790 381672547 /nfs/dbraw/zinc/67/25/47/381672547.db2.gz RUYRONBZGBQQAT-HNNXBMFYSA-N 2 0 278.465 2.898 20 0 CFADRP CC[C@H]([NH3+])C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414978993 381673617 /nfs/dbraw/zinc/67/36/17/381673617.db2.gz NAMGFNREFRUGIZ-MFKMUULPSA-N 2 0 285.229 2.880 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414958024 381651801 /nfs/dbraw/zinc/65/18/01/381651801.db2.gz CPVVXEWAWFYPEE-WDEREUQCSA-N 2 0 252.324 2.839 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415014342 381708433 /nfs/dbraw/zinc/70/84/33/381708433.db2.gz WTBNTYQSEXLOGV-DLBZAZTESA-N 2 0 274.408 2.563 20 0 CFADRP CC(C)c1cnc(C[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000415014240 381708442 /nfs/dbraw/zinc/70/84/42/381708442.db2.gz LVUCACDOFBGABV-NSHDSACASA-N 2 0 255.431 2.874 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415014567 381708829 /nfs/dbraw/zinc/70/88/29/381708829.db2.gz LQURSYFOSMNUBX-RDBSUJKOSA-N 2 0 291.439 2.852 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc2ccccc2c1 ZINC000415016088 381709566 /nfs/dbraw/zinc/70/95/66/381709566.db2.gz PDNCDPZTJKUUCM-ZDUSSCGKSA-N 2 0 257.381 2.842 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@H](C)CCCC[NH3+] ZINC000415019839 381712968 /nfs/dbraw/zinc/71/29/68/381712968.db2.gz WQRBSLOMOIYOIM-CYBMUJFWSA-N 2 0 264.413 2.865 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000415018988 381713575 /nfs/dbraw/zinc/71/35/75/381713575.db2.gz VDDIZMMXMSYAHH-LBPRGKRZSA-N 2 0 278.425 2.541 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000415021378 381714811 /nfs/dbraw/zinc/71/48/11/381714811.db2.gz YLEXFUSIZJNHSH-LBPRGKRZSA-N 2 0 290.436 2.812 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000415020856 381715068 /nfs/dbraw/zinc/71/50/68/381715068.db2.gz XWLQBUIYMSTBME-AWEZNQCLSA-N 2 0 276.424 2.661 20 0 CFADRP COCC1(C[NH2+]Cc2sccc2Cl)CC[NH2+]CC1 ZINC000414981345 381675617 /nfs/dbraw/zinc/67/56/17/381675617.db2.gz XFVQCWFNJQKREN-UHFFFAOYSA-N 2 0 288.844 2.507 20 0 CFADRP C[N@H+](CCC1CC1)C1CCN(CCc2ccccn2)CC1 ZINC000359914411 381676004 /nfs/dbraw/zinc/67/60/04/381676004.db2.gz YNVUBVPIGGAFFY-UHFFFAOYSA-N 2 0 287.451 2.820 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000414982399 381677710 /nfs/dbraw/zinc/67/77/10/381677710.db2.gz DETHXVFSQVPPDY-GWCFXTLKSA-N 2 0 274.330 2.963 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000414990655 381683029 /nfs/dbraw/zinc/68/30/29/381683029.db2.gz IUUCJGLEXQITMQ-AAEUAGOBSA-N 2 0 252.789 2.947 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000414989286 381683537 /nfs/dbraw/zinc/68/35/37/381683537.db2.gz MXHKBZREKQNMMN-GXFFZTMASA-N 2 0 285.229 2.707 20 0 CFADRP COc1ccc(OC)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415024371 381716440 /nfs/dbraw/zinc/71/64/40/381716440.db2.gz NGISDMFQYMSBBD-HDJSIYSDSA-N 2 0 292.423 2.559 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414991857 381685153 /nfs/dbraw/zinc/68/51/53/381685153.db2.gz JZOMAAQANKVRBG-RDJZCZTQSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414992728 381685452 /nfs/dbraw/zinc/68/54/52/381685452.db2.gz BZRNULDFZLHSAF-IWCQGFGOSA-N 2 0 258.409 2.897 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000371723337 381686390 /nfs/dbraw/zinc/68/63/90/381686390.db2.gz JUYYFNUBLDIDBK-ROUUACIJSA-N 2 0 281.403 2.864 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414997374 381688898 /nfs/dbraw/zinc/68/88/98/381688898.db2.gz HFXPXGWVCIHIRG-CZUORRHYSA-N 2 0 276.424 2.865 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000414997009 381689368 /nfs/dbraw/zinc/68/93/68/381689368.db2.gz GZSFTEKMLYTUTA-QLFBSQMISA-N 2 0 278.444 2.502 20 0 CFADRP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355222414 381689706 /nfs/dbraw/zinc/68/97/06/381689706.db2.gz PWEHPMLFIADCKK-KRWDZBQOSA-N 2 0 290.451 2.771 20 0 CFADRP COc1cc(C)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414997967 381689775 /nfs/dbraw/zinc/68/97/75/381689775.db2.gz QHPQUPJLDAIXCE-DZGCQCFKSA-N 2 0 292.423 2.619 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000415022629 381716884 /nfs/dbraw/zinc/71/68/84/381716884.db2.gz ZWQUDNQQNBCDTA-CYBMUJFWSA-N 2 0 272.396 2.684 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000415001688 381693060 /nfs/dbraw/zinc/69/30/60/381693060.db2.gz VLRLIEMVJIBWIO-GXSJLCMTSA-N 2 0 272.314 2.711 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000577 381693117 /nfs/dbraw/zinc/69/31/17/381693117.db2.gz BHFLTDCLKIVYGW-JKSUJKDBSA-N 2 0 262.372 2.612 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415001958 381694640 /nfs/dbraw/zinc/69/46/40/381694640.db2.gz CZWGLBKJNYJBEB-LUYZLQTOSA-N 2 0 250.430 2.790 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3cccc(F)c3)C[C@H]21 ZINC000348752061 381694620 /nfs/dbraw/zinc/69/46/20/381694620.db2.gz SZJXCGAJXUUGOD-USXIJHARSA-N 2 0 276.399 2.818 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000359948574 381694788 /nfs/dbraw/zinc/69/47/88/381694788.db2.gz BVXRTCBRRZXZPE-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002547 381694957 /nfs/dbraw/zinc/69/49/57/381694957.db2.gz DVGFZPRJBUIGRW-AFAVFJNCSA-N 2 0 276.399 2.734 20 0 CFADRP C[C@@H]1CC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000415001943 381695284 /nfs/dbraw/zinc/69/52/84/381695284.db2.gz CVRDWNSAGQALGW-GVAFMPQTSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415006617 381700905 /nfs/dbraw/zinc/70/09/05/381700905.db2.gz KSDRKQODASJKNQ-ZWKOTPCHSA-N 2 0 288.435 2.952 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415007797 381701051 /nfs/dbraw/zinc/70/10/51/381701051.db2.gz RPRVTKQAQYCKCT-IPYPFGDCSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681580 381704007 /nfs/dbraw/zinc/70/40/07/381704007.db2.gz QJEJMELGUYMWEN-ZOBUZTSGSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359969391 381704076 /nfs/dbraw/zinc/70/40/76/381704076.db2.gz HKSNPBKJSGDSJS-WMLDXEAASA-N 2 0 270.420 2.834 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009931 381704433 /nfs/dbraw/zinc/70/44/33/381704433.db2.gz OPJGAWDQYYAIEH-YLQAJVPDSA-N 2 0 276.399 2.734 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000415010998 381704657 /nfs/dbraw/zinc/70/46/57/381704657.db2.gz VOLWKVCSPKGKFE-DTWKUNHWSA-N 2 0 293.358 2.769 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(F)cc1F ZINC000415011435 381705012 /nfs/dbraw/zinc/70/50/12/381705012.db2.gz HUCDHEWXKFSBDZ-VIFPVBQESA-N 2 0 260.303 2.711 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415010546 381705065 /nfs/dbraw/zinc/70/50/65/381705065.db2.gz VEWBUAOXBAMKSY-VWYCJHECSA-N 2 0 252.324 2.825 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415011406 381705141 /nfs/dbraw/zinc/70/51/41/381705141.db2.gz HTAUCPGVFKEMLQ-OUAUKWLOSA-N 2 0 274.330 2.962 20 0 CFADRP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415010991 381705162 /nfs/dbraw/zinc/70/51/62/381705162.db2.gz VLTILGDRNFJRBA-TZMCWYRMSA-N 2 0 264.388 2.995 20 0 CFADRP CCn1nc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc21 ZINC000415012579 381706019 /nfs/dbraw/zinc/70/60/19/381706019.db2.gz SQZJDSBVJQMUQF-JKSUJKDBSA-N 2 0 298.434 2.534 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000415041043 381728056 /nfs/dbraw/zinc/72/80/56/381728056.db2.gz PMJLAHFGRFGNNW-PWSUYJOCSA-N 2 0 283.213 2.666 20 0 CFADRP C[C@@H]([NH2+]CCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185767608 381728415 /nfs/dbraw/zinc/72/84/15/381728415.db2.gz OHPPBOMIUOJRHI-NVXWUHKLSA-N 2 0 287.451 2.867 20 0 CFADRP CCCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000371984798 381730677 /nfs/dbraw/zinc/73/06/77/381730677.db2.gz PBDAQCNUFRSEMT-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1SC ZINC000415042850 381731082 /nfs/dbraw/zinc/73/10/82/381731082.db2.gz RILISMZXXMVVDI-YPMHNXCESA-N 2 0 280.437 2.634 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000415045259 381731935 /nfs/dbraw/zinc/73/19/35/381731935.db2.gz BHPJGCHJTCMCFA-INIZCTEOSA-N 2 0 255.365 2.651 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415045142 381732554 /nfs/dbraw/zinc/73/25/54/381732554.db2.gz TZJLQELTWZPEJT-INWMFGNUSA-N 2 0 264.388 2.864 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415047296 381734642 /nfs/dbraw/zinc/73/46/42/381734642.db2.gz VPGLXUXKPWYLNZ-CZUORRHYSA-N 2 0 284.407 2.602 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415048737 381734709 /nfs/dbraw/zinc/73/47/09/381734709.db2.gz XHMNHNFLDACXAN-HIFRSBDPSA-N 2 0 262.397 2.691 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000415052443 381738936 /nfs/dbraw/zinc/73/89/36/381738936.db2.gz HNHGTLRENIREGT-CXAGYDPISA-N 2 0 292.423 2.511 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415055732 381740773 /nfs/dbraw/zinc/74/07/73/381740773.db2.gz RIUZEFILAKKZJF-SJORKVTESA-N 2 0 286.419 2.586 20 0 CFADRP COc1ccsc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415054042 381740944 /nfs/dbraw/zinc/74/09/44/381740944.db2.gz PLEFBKYWSILYIT-STQMWFEESA-N 2 0 280.437 2.721 20 0 CFADRP C([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCCCC1 ZINC000415056690 381742566 /nfs/dbraw/zinc/74/25/66/381742566.db2.gz QHTVRPHRHDQBQX-UHFFFAOYSA-N 2 0 293.499 2.763 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415058179 381743128 /nfs/dbraw/zinc/74/31/28/381743128.db2.gz SXOBWMOUMFTDAE-HYVNUMGLSA-N 3 0 275.440 2.587 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000415058579 381744982 /nfs/dbraw/zinc/74/49/82/381744982.db2.gz UCWQLACAXFPNSN-GJZGRUSLSA-N 2 0 264.438 2.952 20 0 CFADRP c1ccc(CC[C@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415066510 381751910 /nfs/dbraw/zinc/75/19/10/381751910.db2.gz SZUMOQKKTIXVIL-ZBRFXRBCSA-N 2 0 270.420 2.595 20 0 CFADRP C[C@H](C[NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000415068674 381753229 /nfs/dbraw/zinc/75/32/29/381753229.db2.gz NLWJPUFIHIUZDW-GFCCVEGCSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415069580 381753694 /nfs/dbraw/zinc/75/36/94/381753694.db2.gz PCQHIEMRAPYXLH-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCC[NH2+]C2CC2)C[C@@H]1c1ccccc1 ZINC000415071709 381757271 /nfs/dbraw/zinc/75/72/71/381757271.db2.gz UIVJBMHTJMPRMY-JQFCIGGWSA-N 2 0 258.409 2.910 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)CCC[NH3+])c1 ZINC000415025947 381718194 /nfs/dbraw/zinc/71/81/94/381718194.db2.gz SDAPQWSNUAYQAT-LLVKDONJSA-N 2 0 272.339 2.813 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000415025948 381718237 /nfs/dbraw/zinc/71/82/37/381718237.db2.gz SDAPQWSNUAYQAT-NSHDSACASA-N 2 0 272.339 2.813 20 0 CFADRP Cc1ccc(-c2nc(C[NH2+][C@@H](C)CCC[NH3+])co2)cc1 ZINC000415027390 381719265 /nfs/dbraw/zinc/71/92/65/381719265.db2.gz WOPQTAPMXDTVMR-ZDUSSCGKSA-N 2 0 273.380 2.867 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)CCC[NH3+])cc1F ZINC000415026622 381719811 /nfs/dbraw/zinc/71/98/11/381719811.db2.gz UZXPPBXQMUVUPM-OLZOCXBDSA-N 2 0 282.403 2.730 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000415029011 381721882 /nfs/dbraw/zinc/72/18/82/381721882.db2.gz ZRRUCLQOPIJWIF-TZMCWYRMSA-N 2 0 270.367 2.970 20 0 CFADRP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415029731 381722013 /nfs/dbraw/zinc/72/20/13/381722013.db2.gz BIYCNMMUJGSIIX-QZTJIDSGSA-N 2 0 290.451 2.756 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000415028457 381722048 /nfs/dbraw/zinc/72/20/48/381722048.db2.gz YQFUXKXXQWMROV-HAQNSBGRSA-N 2 0 268.351 2.820 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415029849 381722062 /nfs/dbraw/zinc/72/20/62/381722062.db2.gz DDVWWLVDHYMUOY-OJLVUWQFSA-N 2 0 258.409 2.550 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000360006571 381722739 /nfs/dbraw/zinc/72/27/39/381722739.db2.gz KAMLCPXYHFCADJ-CYBMUJFWSA-N 2 0 299.846 2.744 20 0 CFADRP c1ccc(C2CCC(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000415032538 381722942 /nfs/dbraw/zinc/72/29/42/381722942.db2.gz HOCPUFGPTVPAST-USTFTLOCSA-N 2 0 270.420 2.768 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415072543 381757989 /nfs/dbraw/zinc/75/79/89/381757989.db2.gz WNNJRMAOKYSZLX-CQSZACIVSA-N 2 0 276.424 2.748 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415033880 381724226 /nfs/dbraw/zinc/72/42/26/381724226.db2.gz CFCNBKAAGGECLH-SJORKVTESA-N 2 0 258.409 2.959 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)c2O1 ZINC000415038858 381727031 /nfs/dbraw/zinc/72/70/31/381727031.db2.gz NSOUUBMHAVYYHQ-WFASDCNBSA-N 2 0 274.408 2.617 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000415098896 381781783 /nfs/dbraw/zinc/78/17/83/381781783.db2.gz GBAMPGGTAMXUPX-VXGBXAGGSA-N 2 0 268.351 2.658 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415100780 381782041 /nfs/dbraw/zinc/78/20/41/381782041.db2.gz ALAONWYXGTZGME-NDRBSLDKSA-N 2 0 274.408 2.625 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415103271 381782717 /nfs/dbraw/zinc/78/27/17/381782717.db2.gz DAGYBOUTUXXVHX-DZGCQCFKSA-N 2 0 292.423 2.511 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000360498768 381783184 /nfs/dbraw/zinc/78/31/84/381783184.db2.gz DCJOMSHVPMCOMB-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1nc2c(s1)CCC2 ZINC000415107590 381784352 /nfs/dbraw/zinc/78/43/52/381784352.db2.gz JFJUOCOIYXUSPY-UTUOFQBUSA-N 2 0 279.453 2.671 20 0 CFADRP Clc1cccc2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000415106341 381784858 /nfs/dbraw/zinc/78/48/58/381784858.db2.gz HGJUGAGIXIHQMO-UHFFFAOYSA-N 2 0 264.800 2.698 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343543842 381786317 /nfs/dbraw/zinc/78/63/17/381786317.db2.gz WZYUIHXHRTZBOT-CABCVRRESA-N 2 0 298.471 2.913 20 0 CFADRP Cc1ccc(NCC[NH2+]C(C)(C)C)c(C[NH+](C)C)c1 ZINC000415112658 381788139 /nfs/dbraw/zinc/78/81/39/381788139.db2.gz CZYVBDWXXWEYOQ-UHFFFAOYSA-N 2 0 263.429 2.857 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1F ZINC000415121671 381792613 /nfs/dbraw/zinc/79/26/13/381792613.db2.gz ZDLZDEZVDRHBNS-GXTWGEPZSA-N 2 0 250.361 2.754 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]C1 ZINC000415122301 381792982 /nfs/dbraw/zinc/79/29/82/381792982.db2.gz LEEYLHWFFVNSJM-DLBZAZTESA-N 2 0 274.408 2.529 20 0 CFADRP C[C@@H]1CC[N@H+](CCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000415122751 381795521 /nfs/dbraw/zinc/79/55/21/381795521.db2.gz IPHRNJVAPKDGPR-HZPDHXFCSA-N 2 0 276.424 2.762 20 0 CFADRP CC(C)[C@@](C)(O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000372342974 381795520 /nfs/dbraw/zinc/79/55/20/381795520.db2.gz AXNHOSUPVRLGQD-WBVHZDCISA-N 2 0 294.483 2.590 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C[NH3+] ZINC000415127991 381796451 /nfs/dbraw/zinc/79/64/51/381796451.db2.gz NQUXQQWKPNYTEC-WCQYABFASA-N 2 0 276.355 2.989 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1C[NH3+] ZINC000415129775 381797116 /nfs/dbraw/zinc/79/71/16/381797116.db2.gz PRLOUNLHXZCDHJ-PBHICJAKSA-N 2 0 288.435 2.892 20 0 CFADRP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000415129930 381798478 /nfs/dbraw/zinc/79/84/78/381798478.db2.gz ZYDRCKFTOHZPTF-YJBOKZPZSA-N 2 0 298.434 2.552 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1C[NH3+] ZINC000415129779 381798773 /nfs/dbraw/zinc/79/87/73/381798773.db2.gz PRLOUNLHXZCDHJ-WMLDXEAASA-N 2 0 288.435 2.892 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415074804 381760816 /nfs/dbraw/zinc/76/08/16/381760816.db2.gz PVRGCXLMXQFZJL-GDBMZVCRSA-N 2 0 276.424 2.748 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000291360157 381761258 /nfs/dbraw/zinc/76/12/58/381761258.db2.gz XYHGIJIMSKWREA-GUYCJALGSA-N 2 0 274.408 2.701 20 0 CFADRP Cc1[nH+]c2ccccc2c(NCC[N@@H+](C)C2CC2)c1C ZINC000343510788 381762093 /nfs/dbraw/zinc/76/20/93/381762093.db2.gz LMXKYXXNTBCQKQ-UHFFFAOYSA-N 2 0 269.392 2.780 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415076442 381763654 /nfs/dbraw/zinc/76/36/54/381763654.db2.gz GOORDTWDDQGKDT-NFAWXSAZSA-N 2 0 280.387 2.713 20 0 CFADRP COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423090054 284919903 /nfs/dbraw/zinc/91/99/03/284919903.db2.gz WPSBGDKDFJHBCP-SZMVWBNQSA-N 2 0 290.451 2.754 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000415082036 381767896 /nfs/dbraw/zinc/76/78/96/381767896.db2.gz LEXZCUUQUPNUST-UHFFFAOYSA-N 2 0 264.388 2.784 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415081964 381768315 /nfs/dbraw/zinc/76/83/15/381768315.db2.gz LBQZGEAVDPMKQN-CRAIPNDOSA-N 2 0 298.434 2.552 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415085323 381770655 /nfs/dbraw/zinc/77/06/55/381770655.db2.gz SIHHCVCHSZKXOQ-MGPQQGTHSA-N 2 0 280.387 2.571 20 0 CFADRP c1ccc2cc(OCC[NH2+]C[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000415086068 381771776 /nfs/dbraw/zinc/77/17/76/381771776.db2.gz REUVAVZQYQGAEW-OAHLLOKOSA-N 2 0 284.403 2.808 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CCc2cccc(Cl)c2)CC[NH2+]1 ZINC000415085075 381772012 /nfs/dbraw/zinc/77/20/12/381772012.db2.gz HVOLMNLYHGQDBU-GXTWGEPZSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@@]1(C[NH2+]CCOc2cccc3ccccc32)CC[NH2+]C1 ZINC000415087555 381772716 /nfs/dbraw/zinc/77/27/16/381772716.db2.gz KXSXRLOSRIXKID-GOSISDBHSA-N 2 0 284.403 2.808 20 0 CFADRP CO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000415086792 381773749 /nfs/dbraw/zinc/77/37/49/381773749.db2.gz SSWWWRCSIPEKIW-MOQPWLNLSA-N 2 0 280.387 2.620 20 0 CFADRP CO[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000415086793 381773928 /nfs/dbraw/zinc/77/39/28/381773928.db2.gz SSWWWRCSIPEKIW-VDSRIPIWSA-N 2 0 280.387 2.620 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415089594 381774759 /nfs/dbraw/zinc/77/47/59/381774759.db2.gz NTVFPLNINVIDFA-WWGRRREGSA-N 2 0 274.408 2.660 20 0 CFADRP CCOc1cc(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1OC ZINC000415088723 381774945 /nfs/dbraw/zinc/77/49/45/381774945.db2.gz MISBPAKGZUNOEX-HIFRSBDPSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000415090208 381775205 /nfs/dbraw/zinc/77/52/05/381775205.db2.gz YPSSQPBISHAYJJ-ZBFHGGJFSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000415089851 381775442 /nfs/dbraw/zinc/77/54/42/381775442.db2.gz YHEYTDXDPPQPJG-DTWKUNHWSA-N 2 0 293.358 2.640 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000415089029 381775918 /nfs/dbraw/zinc/77/59/18/381775918.db2.gz XCQGCFUMLGUSNG-URGYJCLVSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CCCc1cccc(F)c1 ZINC000415088702 381775922 /nfs/dbraw/zinc/77/59/22/381775922.db2.gz MDVSWALFPZRWSF-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415092002 381776907 /nfs/dbraw/zinc/77/69/07/381776907.db2.gz RRCPMPJYUFFCLI-RDBSUJKOSA-N 2 0 262.397 2.734 20 0 CFADRP c1c2ccccc2oc1CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415093810 381778971 /nfs/dbraw/zinc/77/89/71/381778971.db2.gz WCMSHGZKVJLXFN-ZDUSSCGKSA-N 2 0 258.365 2.565 20 0 CFADRP CC(C)(C)c1cccc(OCC[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000415096582 381779948 /nfs/dbraw/zinc/77/99/48/381779948.db2.gz BNJQLOHJXABLHD-HNNXBMFYSA-N 2 0 290.451 2.952 20 0 CFADRP Cc1ccc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)c(C)n1 ZINC000415278937 381822044 /nfs/dbraw/zinc/82/20/44/381822044.db2.gz HNXXZRGBDRXCKW-HNNXBMFYSA-N 2 0 278.400 2.583 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000343593788 381823550 /nfs/dbraw/zinc/82/35/50/381823550.db2.gz GLHCGIOBMRXSMC-ZJPYXAASSA-N 2 0 295.515 2.674 20 0 CFADRP Cc1ccc(CCC[N@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000343595548 381825411 /nfs/dbraw/zinc/82/54/11/381825411.db2.gz BRBHCPAJXQRYBD-UHFFFAOYSA-N 2 0 275.440 2.740 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@H]1CCCOC1 ZINC000356870551 381876063 /nfs/dbraw/zinc/87/60/63/381876063.db2.gz OCGBCLIVVGRBBR-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[C@@H](C)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349296249 381879028 /nfs/dbraw/zinc/87/90/28/381879028.db2.gz LGTYRVJVFXNFJV-CVEARBPZSA-N 2 0 281.488 2.523 20 0 CFADRP CC[C@H]1C[C@H](C[N@H+](C)CCC[NH+]2CCCC2)CCO1 ZINC000343627137 381852701 /nfs/dbraw/zinc/85/27/01/381852701.db2.gz VFQHTRUEPBGKAQ-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000372702438 381853499 /nfs/dbraw/zinc/85/34/99/381853499.db2.gz GLQPCZYGCWRFGM-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000356847902 381867786 /nfs/dbraw/zinc/86/77/86/381867786.db2.gz OKVDOAWSYDNKPN-ZDUSSCGKSA-N 2 0 259.397 2.557 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356863280 381869831 /nfs/dbraw/zinc/86/98/31/381869831.db2.gz KBXDALWONIDRAX-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)(C)C ZINC000343653617 381870106 /nfs/dbraw/zinc/87/01/06/381870106.db2.gz DJHDWOBZPUHINJ-XHSDSOJGSA-N 2 0 282.472 2.779 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1CCSC1 ZINC000349354121 381904901 /nfs/dbraw/zinc/90/49/01/381904901.db2.gz SMAJAIOBSZOLCS-CQSZACIVSA-N 2 0 258.475 2.793 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349358180 381906672 /nfs/dbraw/zinc/90/66/72/381906672.db2.gz VNLJLAONYPBGEP-IRXDYDNUSA-N 2 0 281.488 2.737 20 0 CFADRP c1[nH]nc2cc(C[NH2+]CCCCC[NH+]3CCCC3)ccc12 ZINC000292948099 381916910 /nfs/dbraw/zinc/91/69/10/381916910.db2.gz ILSZFIFKQSTGQK-UHFFFAOYSA-N 2 0 286.423 2.919 20 0 CFADRP CC[N@H+](CCC1CC[NH+](Cc2cc[nH]n2)CC1)CC(C)C ZINC000349403548 381924193 /nfs/dbraw/zinc/92/41/93/381924193.db2.gz CTOVYECZWKHIQL-UHFFFAOYSA-N 2 0 292.471 2.990 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000186603554 381962193 /nfs/dbraw/zinc/96/21/93/381962193.db2.gz VFPNLUJEGBJXOQ-NJAFHUGGSA-N 2 0 293.499 2.571 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CC=CCC1 ZINC000362244963 381973516 /nfs/dbraw/zinc/97/35/16/381973516.db2.gz OXZNVUQPSKHCJK-IRXDYDNUSA-N 2 0 280.456 2.775 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@H]1CC[C@H](C)C1 ZINC000362171455 381941849 /nfs/dbraw/zinc/94/18/49/381941849.db2.gz YAZNMOMYFBPATP-IRXDYDNUSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CC[C@H](O)c3ccccc3)C2)C1 ZINC000293009338 381947179 /nfs/dbraw/zinc/94/71/79/381947179.db2.gz PPASCRISLURECH-ROUUACIJSA-N 2 0 288.435 2.528 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000356992710 381948603 /nfs/dbraw/zinc/94/86/03/381948603.db2.gz NLDPBPSBTXKMSN-YESZJQIVSA-N 2 0 282.472 2.998 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOCCC(C)C)C[C@@H]1C ZINC000362184209 381948917 /nfs/dbraw/zinc/94/89/17/381948917.db2.gz RUVNYFIOKOXFJS-JKSUJKDBSA-N 2 0 270.461 2.854 20 0 CFADRP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@H]1C ZINC000186574359 381951883 /nfs/dbraw/zinc/95/18/83/381951883.db2.gz GJGHOMLDOQQIGC-JQHSSLGASA-N 2 0 290.451 2.910 20 0 CFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCOCC1 ZINC000186574189 381952186 /nfs/dbraw/zinc/95/21/86/381952186.db2.gz CCHVLSAYMAEMOE-GOSISDBHSA-N 2 0 290.451 2.912 20 0 CFADRP CCCCOCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362188660 381952428 /nfs/dbraw/zinc/95/24/28/381952428.db2.gz TTZYFMCKQWMSFZ-CABCVRRESA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)C1CCCCC1 ZINC000349670724 381983714 /nfs/dbraw/zinc/98/37/14/381983714.db2.gz VPHVFZQZCLDYRM-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000357043620 381984168 /nfs/dbraw/zinc/98/41/68/381984168.db2.gz GRQKFBAYDHLNQI-ZDUSSCGKSA-N 2 0 280.362 2.786 20 0 CFADRP Cc1ccc(F)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357042554 381984180 /nfs/dbraw/zinc/98/41/80/381984180.db2.gz FDPULJICURBSMD-HNNXBMFYSA-N 2 0 276.399 2.956 20 0 CFADRP CCc1cnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357060321 381992943 /nfs/dbraw/zinc/99/29/43/381992943.db2.gz YJZYGQKUJNLCFY-CYBMUJFWSA-N 2 0 279.453 2.527 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343975811 382044356 /nfs/dbraw/zinc/04/43/56/382044356.db2.gz HBYZZDBBEROZPY-KBPBESRZSA-N 2 0 279.428 2.546 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293249289 382047660 /nfs/dbraw/zinc/04/76/60/382047660.db2.gz BNFZBWGCJWBHGC-HUUCEWRRSA-N 2 0 294.439 2.560 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000417348962 382049198 /nfs/dbraw/zinc/04/91/98/382049198.db2.gz ZIUBBABIGHBVGI-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([NH+](C)C)CC3)CC2)C1 ZINC000417351792 382051279 /nfs/dbraw/zinc/05/12/79/382051279.db2.gz DMWKXLRFQPOZDG-WBVHZDCISA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000300003824 382056696 /nfs/dbraw/zinc/05/66/96/382056696.db2.gz SWOLTYJASNZKHT-HUUCEWRRSA-N 2 0 266.429 2.682 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000300003826 382057221 /nfs/dbraw/zinc/05/72/21/382057221.db2.gz SWOLTYJASNZKHT-LSDHHAIUSA-N 2 0 266.429 2.682 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000300240115 382058649 /nfs/dbraw/zinc/05/86/49/382058649.db2.gz ISRSTMJTESXVNI-RBSFLKMASA-N 2 0 280.456 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccccc43)C[C@H]21 ZINC000375047991 382065017 /nfs/dbraw/zinc/06/50/17/382065017.db2.gz GHNXQUBNUUSEMW-SUMWQHHRSA-N 2 0 267.376 2.765 20 0 CFADRP CCC[NH+]1CCC(CNc2cc[nH+]c(C)c2Cl)CC1 ZINC000357231826 382068588 /nfs/dbraw/zinc/06/85/88/382068588.db2.gz SSXGOHLJSLOYFF-UHFFFAOYSA-N 2 0 281.831 2.999 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CC1(C)C ZINC000417314303 382037976 /nfs/dbraw/zinc/03/79/76/382037976.db2.gz QVZOCANFVAQNFZ-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000362381721 382038348 /nfs/dbraw/zinc/03/83/48/382038348.db2.gz CTZOSYWYLLZSEK-JKSUJKDBSA-N 2 0 288.435 2.826 20 0 CFADRP CSCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374170995 382038879 /nfs/dbraw/zinc/03/88/79/382038879.db2.gz BMROTRHKVACFTC-UHFFFAOYSA-N 2 0 256.459 2.547 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000163004454 542293934 /nfs/dbraw/zinc/29/39/34/542293934.db2.gz ZOGKLFIRZHZYDA-LBPRGKRZSA-N 2 0 282.378 2.827 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000375904935 382111303 /nfs/dbraw/zinc/11/13/03/382111303.db2.gz RNZBDNZWXMMWSB-SFHVURJKSA-N 2 0 293.499 2.667 20 0 CFADRP Cc1nocc1CNCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000293423996 382118111 /nfs/dbraw/zinc/11/81/11/382118111.db2.gz ANZDLKQSKXOLEO-CQSZACIVSA-N 2 0 287.407 2.983 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000376162636 382123575 /nfs/dbraw/zinc/12/35/75/382123575.db2.gz MZVYBYKNSVFQTP-USXIJHARSA-N 2 0 276.424 2.694 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293558930 382175614 /nfs/dbraw/zinc/17/56/14/382175614.db2.gz XFZDJZPXSQJGNB-PBHICJAKSA-N 2 0 294.414 2.835 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[N@@H+]1C ZINC000344114422 382137452 /nfs/dbraw/zinc/13/74/52/382137452.db2.gz VUHNBFVWCLYIFC-BGTYHANMSA-N 2 0 288.435 2.979 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000344129331 382146254 /nfs/dbraw/zinc/14/62/54/382146254.db2.gz XSGUYXJXPZRZHE-LAVFITLUSA-N 2 0 288.435 2.837 20 0 CFADRP Cc1nccn1CCCC[N@@H+](C)CC1(O)CCCCCC1 ZINC000187322193 382153327 /nfs/dbraw/zinc/15/33/27/382153327.db2.gz PPMOHDMIDXHDGO-UHFFFAOYSA-N 2 0 293.455 2.989 20 0 CFADRP CCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(C)n1 ZINC000301378871 382162999 /nfs/dbraw/zinc/16/29/99/382162999.db2.gz ZBDTZOKYXKHVGM-UHFFFAOYSA-N 2 0 296.418 2.670 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C2CC2)C1 ZINC000344152860 382163625 /nfs/dbraw/zinc/16/36/25/382163625.db2.gz XCAIWLUPPCMTDO-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]cc2-c2cccnc2)C1 ZINC000376771340 382172334 /nfs/dbraw/zinc/17/23/34/382172334.db2.gz GQKDAZBFNKUZEV-HOTGVXAUSA-N 2 0 296.418 2.850 20 0 CFADRP Cc1[nH+]ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1Cl ZINC000357523104 382206231 /nfs/dbraw/zinc/20/62/31/382206231.db2.gz GUPPKRFHDMGIJN-KOLCDFICSA-N 2 0 265.788 2.502 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352190145 382216837 /nfs/dbraw/zinc/21/68/37/382216837.db2.gz PACDLRFKBSJILL-OAHLLOKOSA-N 2 0 250.430 2.983 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](OC)[C@H](C)CC)CC1 ZINC000362977086 382224079 /nfs/dbraw/zinc/22/40/79/382224079.db2.gz ONAAIGINOVQEHM-HIFRSBDPSA-N 2 0 256.434 2.512 20 0 CFADRP CSC1(CNc2cc[nH+]c(C)c2Cl)CC[NH+](C)CC1 ZINC000357581099 382238327 /nfs/dbraw/zinc/23/83/27/382238327.db2.gz MFPBJZSDSBUGCE-UHFFFAOYSA-N 2 0 299.871 2.705 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000352141091 382191923 /nfs/dbraw/zinc/19/19/23/382191923.db2.gz PSGJUHYUCUWSLZ-HNNXBMFYSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@H]([NH2+]CCCc1nc2ccccc2n1C)[C@H]1CCCO1 ZINC000680343962 542307465 /nfs/dbraw/zinc/30/74/65/542307465.db2.gz CDOOSTBZPWEWGD-XJKSGUPXSA-N 2 0 287.407 2.663 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC ZINC000419216388 382247129 /nfs/dbraw/zinc/24/71/29/382247129.db2.gz PHIJOOGHVWPRQT-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP Cc1ccncc1CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293719059 382248684 /nfs/dbraw/zinc/24/86/84/382248684.db2.gz TUGVPWKUDTZVOH-GOSISDBHSA-N 2 0 287.451 2.740 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293726015 382252931 /nfs/dbraw/zinc/25/29/31/382252931.db2.gz UJOWAOMZUBGFSE-HNNXBMFYSA-N 2 0 264.438 2.974 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(OC)c1 ZINC000344292411 382255124 /nfs/dbraw/zinc/25/51/24/382255124.db2.gz OVWRZCOTTCQMDP-KRWDZBQOSA-N 2 0 274.408 2.998 20 0 CFADRP COCC[C@H](Cc1ccco1)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000680351464 542310641 /nfs/dbraw/zinc/31/06/41/542310641.db2.gz WLODZFPHTBSHFT-GDBMZVCRSA-N 2 0 294.439 2.547 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000344331068 382261342 /nfs/dbraw/zinc/26/13/42/382261342.db2.gz OVRYQLYCMUTCIB-MRXNPFEDSA-N 2 0 259.397 2.630 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000377397164 382265267 /nfs/dbraw/zinc/26/52/67/382265267.db2.gz JUJORPGBOMYLEO-ZACQAIPSSA-N 2 0 292.398 2.797 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293759896 382267548 /nfs/dbraw/zinc/26/75/48/382267548.db2.gz RYMRMVCYXKTZDE-CHWSQXEVSA-N 2 0 250.386 2.544 20 0 CFADRP C[N@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCC(C)(C)C1 ZINC000377624973 382304717 /nfs/dbraw/zinc/30/47/17/382304717.db2.gz KABKYTYRNXTJDJ-DLBZAZTESA-N 2 0 293.499 2.665 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1OC ZINC000293854650 382307271 /nfs/dbraw/zinc/30/72/71/382307271.db2.gz XMYNDMBDHOJKKZ-OCCSQVGLSA-N 2 0 294.439 2.861 20 0 CFADRP C[C@]1(c2ccccc2)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420294144 382344896 /nfs/dbraw/zinc/34/48/96/382344896.db2.gz ARIBJXUIZOTMJP-WBVHZDCISA-N 2 0 258.409 2.650 20 0 CFADRP C[N@H+](Cc1cc[nH]c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377690911 382321490 /nfs/dbraw/zinc/32/14/90/382321490.db2.gz HDCZYQRQANJDML-UHFFFAOYSA-N 2 0 270.380 2.511 20 0 CFADRP C[N@H+](C[C@@H]1CCSC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377702845 382325226 /nfs/dbraw/zinc/32/52/26/382325226.db2.gz PCVCFHXGCHHFDD-AWEZNQCLSA-N 2 0 291.464 2.735 20 0 CFADRP CSC1(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000377709086 382327861 /nfs/dbraw/zinc/32/78/61/382327861.db2.gz ULQLFKIZIIDZOQ-UHFFFAOYSA-N 2 0 291.464 2.878 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)(C)O ZINC000357806589 382331203 /nfs/dbraw/zinc/33/12/03/382331203.db2.gz NEKQFRKIZZEBHK-AWEZNQCLSA-N 2 0 270.461 2.634 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000346198494 382336374 /nfs/dbraw/zinc/33/63/74/382336374.db2.gz PZNUJOXOBGMBQY-WBVHZDCISA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000346215473 382337411 /nfs/dbraw/zinc/33/74/11/382337411.db2.gz KIFLVRPIBZKBCF-HOTGVXAUSA-N 2 0 282.472 2.855 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420253438 382338441 /nfs/dbraw/zinc/33/84/41/382338441.db2.gz DPBQZKWMAMAAIY-GJZGRUSLSA-N 2 0 281.403 2.843 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCc1ccsc1 ZINC000420282743 382339736 /nfs/dbraw/zinc/33/97/36/382339736.db2.gz BJCFEHBMCQCFLY-CQSZACIVSA-N 2 0 254.443 2.986 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000188078116 382340307 /nfs/dbraw/zinc/34/03/07/382340307.db2.gz JFIYTJZMYNSLEJ-ZDUSSCGKSA-N 2 0 276.428 2.558 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC000377778108 382343031 /nfs/dbraw/zinc/34/30/31/382343031.db2.gz OSCCNBPXZDITJZ-YNBOMUFVSA-N 2 0 286.419 2.513 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)C1 ZINC000420299190 382349829 /nfs/dbraw/zinc/34/98/29/382349829.db2.gz IFPMKUNYQHVHPW-MELADBBJSA-N 2 0 256.459 2.592 20 0 CFADRP Fc1ccc(C[C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420298625 382350063 /nfs/dbraw/zinc/35/00/63/382350063.db2.gz FKXOPMKXOMVGTN-NVXWUHKLSA-N 2 0 276.399 2.832 20 0 CFADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000420300406 382351059 /nfs/dbraw/zinc/35/10/59/382351059.db2.gz KHHDLIMJZOTDAG-ROUUACIJSA-N 2 0 290.451 2.566 20 0 CFADRP CC[C@H](C)C[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420301532 382351979 /nfs/dbraw/zinc/35/19/79/382351979.db2.gz LKSGEVLOWKKSKF-DZGCQCFKSA-N 2 0 264.413 2.715 20 0 CFADRP CSc1ccccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420301375 382352467 /nfs/dbraw/zinc/35/24/67/382352467.db2.gz VQMVOBHFZGGLSU-GFCCVEGCSA-N 2 0 264.438 2.968 20 0 CFADRP COc1ccccc1[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420303374 382353434 /nfs/dbraw/zinc/35/34/34/382353434.db2.gz NDMWYPRKDFAGQR-ZBFHGGJFSA-N 2 0 274.408 2.832 20 0 CFADRP C[N@H+](CCCCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000420304718 382353728 /nfs/dbraw/zinc/35/37/28/382353728.db2.gz FNJDUGHYGWHWJG-LLVKDONJSA-N 2 0 252.324 2.793 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420303822 382354255 /nfs/dbraw/zinc/35/42/55/382354255.db2.gz NPQYFHKPVLHGJB-KGLIPLIRSA-N 2 0 262.397 2.775 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420306512 382356005 /nfs/dbraw/zinc/35/60/05/382356005.db2.gz HRKUBOIEKYCVSW-AWEZNQCLSA-N 2 0 299.418 2.720 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420308420 382357489 /nfs/dbraw/zinc/35/74/89/382357489.db2.gz SDVCHMCXTUTIFS-DLBZAZTESA-N 2 0 260.425 2.939 20 0 CFADRP CC[C@H](C)[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000420308877 382358152 /nfs/dbraw/zinc/35/81/52/382358152.db2.gz KSVNQHMNDUQJOC-AAEUAGOBSA-N 2 0 267.442 2.662 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000420311115 382359803 /nfs/dbraw/zinc/35/98/03/382359803.db2.gz GURAUWCQHITGLN-HSMVNMDESA-N 2 0 262.372 2.872 20 0 CFADRP COCCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420313195 382359948 /nfs/dbraw/zinc/35/99/48/382359948.db2.gz PIMPEDMWRUZVMH-QZTJIDSGSA-N 2 0 290.451 2.695 20 0 CFADRP CC[C@]1(C)CC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311450 382360824 /nfs/dbraw/zinc/36/08/24/382360824.db2.gz VYWYNWNRLVYNFJ-DOTOQJQBSA-N 2 0 276.424 2.860 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357878887 382360949 /nfs/dbraw/zinc/36/09/49/382360949.db2.gz PASFDLNCMRZTSZ-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)C[C@H]12 ZINC000420313805 382361774 /nfs/dbraw/zinc/36/17/74/382361774.db2.gz UNRQZEYDTCAGEM-UCDYDWOKSA-N 2 0 276.811 2.996 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000346436093 382361747 /nfs/dbraw/zinc/36/17/47/382361747.db2.gz LNFJLYDGZNESQP-ZNMIVQPWSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CS1 ZINC000365194846 382362928 /nfs/dbraw/zinc/36/29/28/382362928.db2.gz CXJQLPWIXZTEFD-AJNGGQMLSA-N 2 0 268.470 2.733 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000420317460 382364109 /nfs/dbraw/zinc/36/41/09/382364109.db2.gz ORTAORLBKZYBDN-LLVKDONJSA-N 2 0 252.324 2.922 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C(C)C ZINC000420319238 382367006 /nfs/dbraw/zinc/36/70/06/382367006.db2.gz OZGMTHQXQDBNOO-GJZGRUSLSA-N 2 0 261.413 2.676 20 0 CFADRP C[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420321019 382367086 /nfs/dbraw/zinc/36/70/86/382367086.db2.gz CCRUSJSQARUYBC-XKQJLSEDSA-N 2 0 274.408 2.576 20 0 CFADRP CCCc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420319922 382367138 /nfs/dbraw/zinc/36/71/38/382367138.db2.gz AZHBTQFJKNMUOY-UONOGXRCSA-N 2 0 293.480 2.917 20 0 CFADRP COc1ccc(C[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420322187 382368513 /nfs/dbraw/zinc/36/85/13/382368513.db2.gz SDRQUPYQUOWIHS-CQSZACIVSA-N 2 0 274.408 2.659 20 0 CFADRP CC[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321757 382368879 /nfs/dbraw/zinc/36/88/79/382368879.db2.gz RPWDZPCRDFCUSE-GJZGRUSLSA-N 2 0 262.397 2.612 20 0 CFADRP Fc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420325725 382371238 /nfs/dbraw/zinc/37/12/38/382371238.db2.gz WTBRWNPCGXWJCL-WMLDXEAASA-N 2 0 292.398 2.589 20 0 CFADRP Fc1ccc(C[N@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420325922 382371387 /nfs/dbraw/zinc/37/13/87/382371387.db2.gz WXHNNWUHMDZMQW-ZDUSSCGKSA-N 2 0 262.372 2.790 20 0 CFADRP C[N@H+](CCCc1ccc(Cl)cc1)C1CC([NH3+])C1 ZINC000420335122 382374506 /nfs/dbraw/zinc/37/45/06/382374506.db2.gz PDTPZRFHJUSNQQ-UHFFFAOYSA-N 2 0 252.789 2.694 20 0 CFADRP C[N@H+](CCCO)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000304162257 382378652 /nfs/dbraw/zinc/37/86/52/382378652.db2.gz OGXQOHDDIDVWBN-UHFFFAOYSA-N 2 0 296.842 2.619 20 0 CFADRP Cc1cc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)ccc1F ZINC000420358963 382381795 /nfs/dbraw/zinc/38/17/95/382381795.db2.gz JYAFEJYQLVBSQN-WMLDXEAASA-N 2 0 292.398 2.507 20 0 CFADRP Cc1cc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)ccc1F ZINC000420358965 382382169 /nfs/dbraw/zinc/38/21/69/382382169.db2.gz JYAFEJYQLVBSQN-YOEHRIQHSA-N 2 0 292.398 2.507 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420360877 382383248 /nfs/dbraw/zinc/38/32/48/382383248.db2.gz LPGBEBXHBCJCHJ-MRXNPFEDSA-N 2 0 276.424 2.606 20 0 CFADRP c1cc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000420363058 382386039 /nfs/dbraw/zinc/38/60/39/382386039.db2.gz OVYKTQLYOWVJGX-ZDUSSCGKSA-N 2 0 264.438 2.927 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH3+])c1cccc(Cl)c1Cl ZINC000420397029 382398155 /nfs/dbraw/zinc/39/81/55/382398155.db2.gz FWTFYTINRDSWCG-VIFPVBQESA-N 2 0 277.195 2.619 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000420395184 382398183 /nfs/dbraw/zinc/39/81/83/382398183.db2.gz CZNHPSOBHONAMI-VIFPVBQESA-N 2 0 262.275 2.585 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH3+])c1cccc(Cl)c1Cl ZINC000420397028 382398212 /nfs/dbraw/zinc/39/82/12/382398212.db2.gz FWTFYTINRDSWCG-SECBINFHSA-N 2 0 277.195 2.619 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000420366216 382387737 /nfs/dbraw/zinc/38/77/37/382387737.db2.gz FUUJSMAFYVIFPO-JTQLQIEISA-N 2 0 258.312 2.548 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420369285 382389087 /nfs/dbraw/zinc/38/90/87/382389087.db2.gz IQLBEJXCEFQZSE-OAHLLOKOSA-N 2 0 258.409 2.661 20 0 CFADRP Cc1ccc(C)c(OCC[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420368008 382389132 /nfs/dbraw/zinc/38/91/32/382389132.db2.gz TUGHWEYSDBWKQD-INIZCTEOSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@H]1CC[N@H+](CCCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000420398956 382398412 /nfs/dbraw/zinc/39/84/12/382398412.db2.gz HGRLBNWZNSZSDP-WDEREUQCSA-N 2 0 252.324 2.636 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000420371013 382391155 /nfs/dbraw/zinc/39/11/55/382391155.db2.gz WPQIULDSFFXLRO-OAHLLOKOSA-N 2 0 280.387 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000420371012 382391438 /nfs/dbraw/zinc/39/14/38/382391438.db2.gz WPQIULDSFFXLRO-HNNXBMFYSA-N 2 0 280.387 2.572 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CCOCC[NH3+])c2ccccc2)cc1 ZINC000420371023 382391531 /nfs/dbraw/zinc/39/15/31/382391531.db2.gz JZWWKVZYYFYZRH-SFHVURJKSA-N 2 0 284.403 2.649 20 0 CFADRP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCC[NH3+] ZINC000420377952 382392777 /nfs/dbraw/zinc/39/27/77/382392777.db2.gz SZSUNGLYPNQRBU-UKRRQHHQSA-N 2 0 262.397 2.817 20 0 CFADRP C(C[N@@H+]1CCO[C@@H](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420375519 382392814 /nfs/dbraw/zinc/39/28/14/382392814.db2.gz POUJPEXEYMMXHR-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)n1nccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000365436276 382393994 /nfs/dbraw/zinc/39/39/94/382393994.db2.gz KZAWGYTXSFBESF-UHFFFAOYSA-N 2 0 273.384 2.567 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(c2ccccc2)CC1 ZINC000420379868 382394347 /nfs/dbraw/zinc/39/43/47/382394347.db2.gz VZPQOZUHWTUPFS-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP c1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420380575 382394555 /nfs/dbraw/zinc/39/45/55/382394555.db2.gz CFMHCWCUNSOYQK-DLBZAZTESA-N 2 0 258.409 2.693 20 0 CFADRP CCC[C@H]1CN(CCC[NH2+]C)CC[N@@H+]1Cc1ccccc1 ZINC000420380991 382394838 /nfs/dbraw/zinc/39/48/38/382394838.db2.gz XEXSBDOJAHSXBH-SFHVURJKSA-N 2 0 289.467 2.582 20 0 CFADRP C[N@H+](CC1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000364641345 382347250 /nfs/dbraw/zinc/34/72/50/382347250.db2.gz YFMUERILNXSFCX-UHFFFAOYSA-N 2 0 259.397 2.782 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420297319 382347222 /nfs/dbraw/zinc/34/72/22/382347222.db2.gz YOMPEGHGHMOBDS-GXTWGEPZSA-N 2 0 252.427 2.740 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1N1CCCC1 ZINC000420297503 382347281 /nfs/dbraw/zinc/34/72/81/382347281.db2.gz GAAGSISSZVJWIW-INIZCTEOSA-N 2 0 287.451 2.718 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)CC[C@@H]1CC[NH2+]C1 ZINC000420297397 382347784 /nfs/dbraw/zinc/34/77/84/382347784.db2.gz DCKFWZODTQOLEN-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000680469794 542327743 /nfs/dbraw/zinc/32/77/43/542327743.db2.gz VZNVJUVBNUPLCX-OAHLLOKOSA-N 2 0 293.455 2.707 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000352632126 382425015 /nfs/dbraw/zinc/42/50/15/382425015.db2.gz YMJUDFDLDYAYIU-IKGGRYGDSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1cncc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365634148 382427438 /nfs/dbraw/zinc/42/74/38/382427438.db2.gz XADBCNOEZIMOGV-OAHLLOKOSA-N 2 0 270.380 2.503 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000294138475 382430774 /nfs/dbraw/zinc/43/07/74/382430774.db2.gz HIEFOUXHJBSRKK-ZBFHGGJFSA-N 2 0 276.424 2.645 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000358054952 382432452 /nfs/dbraw/zinc/43/24/52/382432452.db2.gz BCXNACLXAPUPEW-HNNXBMFYSA-N 2 0 256.434 2.510 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000365716436 382432865 /nfs/dbraw/zinc/43/28/65/382432865.db2.gz OMFJHBQRTKZLJE-QGZVFWFLSA-N 2 0 280.456 2.898 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352671225 382446092 /nfs/dbraw/zinc/44/60/92/382446092.db2.gz HYNWDUDXNDAOFY-SJORKVTESA-N 2 0 285.391 2.526 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420403742 382400142 /nfs/dbraw/zinc/40/01/42/382400142.db2.gz RNKGWCBMSVYBPE-FUHWJXTLSA-N 2 0 288.435 2.920 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420404559 382400188 /nfs/dbraw/zinc/40/01/88/382400188.db2.gz MDQCRJZARMQONO-GOEBONIOSA-N 2 0 276.424 2.681 20 0 CFADRP Cc1cccc([C@H]([NH2+]CCN2CC[NH2+]CC2)C(C)(C)C)c1 ZINC000420413146 382401535 /nfs/dbraw/zinc/40/15/35/382401535.db2.gz SQPCLNSGFPXTSA-KRWDZBQOSA-N 2 0 289.467 2.577 20 0 CFADRP CC[C@H]([NH2+]CCC[NH3+])c1cc(F)cc(Br)c1 ZINC000420408565 382401545 /nfs/dbraw/zinc/40/15/45/382401545.db2.gz PMZWUCMJWGLLDB-LBPRGKRZSA-N 2 0 289.192 2.978 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1F ZINC000420408576 382401597 /nfs/dbraw/zinc/40/15/97/382401597.db2.gz PONIDNSSMFLKDY-STQMWFEESA-N 2 0 250.361 2.784 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420409731 382401699 /nfs/dbraw/zinc/40/16/99/382401699.db2.gz QPNPIQTVFUPBPQ-GXTWGEPZSA-N 2 0 264.438 2.825 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000420406743 382401912 /nfs/dbraw/zinc/40/19/12/382401912.db2.gz NXUNBSPRRONXES-NUJGCVRESA-N 2 0 288.435 2.744 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420415719 382403755 /nfs/dbraw/zinc/40/37/55/382403755.db2.gz VCVREJDLTKOFKS-YOEHRIQHSA-N 2 0 260.425 2.708 20 0 CFADRP Cc1c[nH]nc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378132358 382404722 /nfs/dbraw/zinc/40/47/22/382404722.db2.gz QJTMMMLXYWPHLO-KRWDZBQOSA-N 2 0 298.434 2.672 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCO1 ZINC000346553053 382410337 /nfs/dbraw/zinc/41/03/37/382410337.db2.gz GSHYKPPPZQIBDP-IHRRRGAJSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(F)cc1 ZINC000358017581 382410616 /nfs/dbraw/zinc/41/06/16/382410616.db2.gz HXRXBCSUXFJEMJ-SWLSCSKDSA-N 2 0 262.372 2.756 20 0 CFADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@H]1CCO[C@@H](C)C1)CC2 ZINC000352607944 382414351 /nfs/dbraw/zinc/41/43/51/382414351.db2.gz BXWLBKNWBRILHM-NXOAAHMSSA-N 2 0 280.456 2.749 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000358096432 382452026 /nfs/dbraw/zinc/45/20/26/382452026.db2.gz KFSRDDRVMROOAZ-UHFFFAOYSA-N 2 0 276.424 2.787 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(C)(C)O)C2)CC1 ZINC000365899575 382455381 /nfs/dbraw/zinc/45/53/81/382455381.db2.gz AWSNLYUDKPIJHR-MRXNPFEDSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000346653709 382457089 /nfs/dbraw/zinc/45/70/89/382457089.db2.gz FDZOQCJEPQPQOC-RDTXWAMCSA-N 2 0 281.403 2.918 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000378437045 382459449 /nfs/dbraw/zinc/45/94/49/382459449.db2.gz DWEDNGDARQWYNA-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000346682842 382469320 /nfs/dbraw/zinc/46/93/20/382469320.db2.gz PZUMHDCVEYYMSK-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346693192 382475483 /nfs/dbraw/zinc/47/54/83/382475483.db2.gz LFZVGXOJSIQMMY-VYDXJSESSA-N 2 0 260.425 2.924 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346692379 382475515 /nfs/dbraw/zinc/47/55/15/382475515.db2.gz YLXZNWXYIKEXPJ-CZUORRHYSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346693191 382476394 /nfs/dbraw/zinc/47/63/94/382476394.db2.gz LFZVGXOJSIQMMY-INMHGKMJSA-N 2 0 260.425 2.924 20 0 CFADRP COc1ccc([C@@H](C)C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000346693305 382477336 /nfs/dbraw/zinc/47/73/36/382477336.db2.gz MFBIEWZBZPWUML-ZDUSSCGKSA-N 2 0 264.413 2.715 20 0 CFADRP C[N@H+](C/C=C/c1ccc(F)cc1F)CC(C)(C)C[NH3+] ZINC000346694245 382477539 /nfs/dbraw/zinc/47/75/39/382477539.db2.gz SXICYYYHYBJSFU-SNAWJCMRSA-N 2 0 268.351 2.895 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc2cccnc12 ZINC000346813379 382525732 /nfs/dbraw/zinc/52/57/32/382525732.db2.gz AZPOJDOJLBWDDG-GVDBMIGSSA-N 2 0 281.403 2.712 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381952014 382526331 /nfs/dbraw/zinc/52/63/31/382526331.db2.gz SHRRAYMPMPPCQI-WNZFAQLISA-N 2 0 268.445 2.545 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CC2)[C@@H](C)C1 ZINC000358191863 382497992 /nfs/dbraw/zinc/49/79/92/382497992.db2.gz PGCGGUBCNIWQPT-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1CC[N@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000311408415 382504479 /nfs/dbraw/zinc/50/44/79/382504479.db2.gz XVJAPKWDSHDHFE-GOEBONIOSA-N 2 0 268.445 2.500 20 0 CFADRP CCOC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000311699932 382507872 /nfs/dbraw/zinc/50/78/72/382507872.db2.gz LUTIJHPQGYVBGW-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP Fc1c(Cl)cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312045684 382510084 /nfs/dbraw/zinc/51/00/84/382510084.db2.gz UXCYZOBONSSELN-TXEJJXNPSA-N 2 0 282.790 2.911 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000346795879 382513591 /nfs/dbraw/zinc/51/35/91/382513591.db2.gz MQAFJGJLBJZKTD-WBMJQRKESA-N 2 0 274.383 2.887 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)C[NH2+]CC2 ZINC000380496963 382514875 /nfs/dbraw/zinc/51/48/75/382514875.db2.gz DEDKRPVRWUEEEN-UHFFFAOYSA-N 2 0 256.393 2.708 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346855660 382545237 /nfs/dbraw/zinc/54/52/37/382545237.db2.gz OMAIDKFJHWGHEA-WBVHZDCISA-N 2 0 276.399 2.832 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000328046321 382545509 /nfs/dbraw/zinc/54/55/09/382545509.db2.gz OJGYTBHZWIMVAB-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCC[C@@H](C)C1 ZINC000353458359 382546232 /nfs/dbraw/zinc/54/62/32/382546232.db2.gz CDJAKHAMHCIPNB-DUQPFJRNSA-N 2 0 293.499 2.569 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]21 ZINC000346856409 382547688 /nfs/dbraw/zinc/54/76/88/382547688.db2.gz WDCHJOCNYYIICL-HYVNUMGLSA-N 2 0 296.418 2.636 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCC1 ZINC000358295892 382554308 /nfs/dbraw/zinc/55/43/08/382554308.db2.gz KTAVQCQAIHOECX-XKQJLSEDSA-N 2 0 280.456 2.533 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000385296132 382569909 /nfs/dbraw/zinc/56/99/09/382569909.db2.gz JGUYYWUFYMDPJJ-FKZOYECMSA-N 2 0 256.459 2.768 20 0 CFADRP CCc1csc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000346825935 382531615 /nfs/dbraw/zinc/53/16/15/382531615.db2.gz LSDXBAZYCKGRCZ-ZIAGYGMSSA-N 2 0 293.480 2.885 20 0 CFADRP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000353294274 382534436 /nfs/dbraw/zinc/53/44/36/382534436.db2.gz UNWHUWPVLBTEBU-CWQOZTLDSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386134755 382583931 /nfs/dbraw/zinc/58/39/31/382583931.db2.gz PMMOTNKTKFMUAH-RDJZCZTQSA-N 2 0 281.488 2.761 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386486043 382589154 /nfs/dbraw/zinc/58/91/54/382589154.db2.gz SXWUHPZWNNAELV-XJFOESAGSA-N 2 0 256.459 2.781 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358376967 382593703 /nfs/dbraw/zinc/59/37/03/382593703.db2.gz JDWPHFVSCIDFML-NCOADZHNSA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000353646477 382594014 /nfs/dbraw/zinc/59/40/14/382594014.db2.gz DQFFVHPRDINEBX-GOSISDBHSA-N 2 0 289.467 2.986 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)C[C@@H]2CCCOC2)cn1 ZINC000353659508 382597688 /nfs/dbraw/zinc/59/76/88/382597688.db2.gz LEZRIBFHLNQXGV-INIZCTEOSA-N 2 0 262.397 2.681 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000358396599 382598937 /nfs/dbraw/zinc/59/89/37/382598937.db2.gz IXIZWLZITBDXMJ-JKIFEVAISA-N 2 0 276.424 2.556 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CC)CC2)[C@H](C)C1 ZINC000358397851 382599757 /nfs/dbraw/zinc/59/97/57/382599757.db2.gz ISNBTRGLUPPFMA-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000353668789 382600795 /nfs/dbraw/zinc/60/07/95/382600795.db2.gz PWXMKTALBFGZFW-GJZGRUSLSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000295261672 382601756 /nfs/dbraw/zinc/60/17/56/382601756.db2.gz UZUYRGWNVIKADW-NEPJUHHUSA-N 2 0 270.367 2.998 20 0 CFADRP COc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1Cl ZINC000388290958 382605311 /nfs/dbraw/zinc/60/53/11/382605311.db2.gz WCKYIWPQDFUIJM-IAQYHMDHSA-N 2 0 282.815 2.765 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295292798 382609895 /nfs/dbraw/zinc/60/98/95/382609895.db2.gz DUDPDOBOLYYKQN-MRXNPFEDSA-N 2 0 290.451 2.736 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCO1 ZINC000388941829 382609982 /nfs/dbraw/zinc/60/99/82/382609982.db2.gz DJJXOWLNUDKCON-UHDSXZAQSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1cccc(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000389161938 382611385 /nfs/dbraw/zinc/61/13/85/382611385.db2.gz YVXZWQARQRPJOY-IYBDPMFKSA-N 2 0 258.409 2.735 20 0 CFADRP Cc1nc2ccccn2c1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000353736143 382620686 /nfs/dbraw/zinc/62/06/86/382620686.db2.gz FZYLADMKGPJIRT-GDBMZVCRSA-N 2 0 298.434 2.701 20 0 CFADRP Cc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)c(Cl)c1 ZINC000392775583 382622487 /nfs/dbraw/zinc/62/24/87/382622487.db2.gz OGKFQJUNQNMPOE-UHFFFAOYSA-N 2 0 264.800 3.000 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000393015552 382623008 /nfs/dbraw/zinc/62/30/08/382623008.db2.gz DNPBZPOUBPLNMJ-AWEZNQCLSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCC1CCOCC1 ZINC000394056448 382625572 /nfs/dbraw/zinc/62/55/72/382625572.db2.gz CEEOCYWNJXAILD-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000394634781 382627992 /nfs/dbraw/zinc/62/79/92/382627992.db2.gz QOEMOSASJVQKNM-QKPAOTATSA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394634782 382628045 /nfs/dbraw/zinc/62/80/45/382628045.db2.gz QOEMOSASJVQKNM-QXSJWSMHSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000353612840 382579243 /nfs/dbraw/zinc/57/92/43/382579243.db2.gz SWIKKVBGZDMEIE-RHSMWYFYSA-N 2 0 290.455 2.585 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccc(C)nc2)C1 ZINC000353621789 382583409 /nfs/dbraw/zinc/58/34/09/382583409.db2.gz HKRDTADCRXLDMS-SFHVURJKSA-N 2 0 289.467 2.986 20 0 CFADRP C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386134761 382583482 /nfs/dbraw/zinc/58/34/82/382583482.db2.gz PMMOTNKTKFMUAH-WBVHZDCISA-N 2 0 281.488 2.761 20 0 CFADRP CO[C@H](C)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189961201 382647374 /nfs/dbraw/zinc/64/73/74/382647374.db2.gz NGFGFEXIOHMRHL-HRCADAONSA-N 2 0 290.451 2.768 20 0 CFADRP C[C@@H]1CSCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000190435769 382668134 /nfs/dbraw/zinc/66/81/34/382668134.db2.gz CJAJQDRQJDMRJQ-AWEZNQCLSA-N 2 0 256.459 2.547 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC000190629463 382675613 /nfs/dbraw/zinc/67/56/13/382675613.db2.gz FLEAIRQBTPREPW-RDJZCZTQSA-N 2 0 282.472 2.591 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN2C)cnn1C(C)C ZINC000191212289 382695898 /nfs/dbraw/zinc/69/58/98/382695898.db2.gz LRPGYDUOCTUMBE-TZMCWYRMSA-N 2 0 264.417 2.517 20 0 CFADRP Cc1nccn1CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000336853903 382735473 /nfs/dbraw/zinc/73/54/73/382735473.db2.gz CGYVFSNTGLLMAP-SFHVURJKSA-N 2 0 299.418 2.563 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000192453329 382709129 /nfs/dbraw/zinc/70/91/29/382709129.db2.gz CMGCLDBNPTZUFB-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc(Br)o1)C2 ZINC000193327725 382718839 /nfs/dbraw/zinc/71/88/39/382718839.db2.gz OCNXIGIVFPIXAR-FGWVZKOKSA-N 2 0 299.212 2.757 20 0 CFADRP CC(C)n1ccnc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000336825547 382723151 /nfs/dbraw/zinc/72/31/51/382723151.db2.gz ZBHAEBCHNDWSNA-UHFFFAOYSA-N 2 0 278.444 2.769 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(SC)cc1OC ZINC000575046623 382724444 /nfs/dbraw/zinc/72/44/44/382724444.db2.gz XHRWFQXIQWSHIT-WDEREUQCSA-N 2 0 298.452 2.641 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000575043360 382724654 /nfs/dbraw/zinc/72/46/54/382724654.db2.gz XMMVKRZCDMFJJH-IEBWSBKVSA-N 2 0 299.462 2.881 20 0 CFADRP C[C@H](O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336831149 382726514 /nfs/dbraw/zinc/72/65/14/382726514.db2.gz IGNIYZUJNNILPX-INIZCTEOSA-N 2 0 282.472 2.735 20 0 CFADRP C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCOCC1 ZINC000336835434 382728631 /nfs/dbraw/zinc/72/86/31/382728631.db2.gz UNYRNHZJMPTQKW-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000336837899 382730256 /nfs/dbraw/zinc/73/02/56/382730256.db2.gz OQPNLOJFNHOUCI-UHFFFAOYSA-N 2 0 293.455 2.888 20 0 CFADRP C[C@@H](CCCC[NH3+])Nc1cccc(OCC[NH+](C)C)c1 ZINC000336838652 382730490 /nfs/dbraw/zinc/73/04/90/382730490.db2.gz NMHPCKWISRMGHH-AWEZNQCLSA-N 2 0 279.428 2.556 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCCOC2)C1 ZINC000336841403 382732204 /nfs/dbraw/zinc/73/22/04/382732204.db2.gz ZXEPAYRIELTANK-SQNIBIBYSA-N 2 0 294.483 2.999 20 0 CFADRP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000336846764 382734481 /nfs/dbraw/zinc/73/44/81/382734481.db2.gz QJRCJCSGBAPDOD-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000337132599 382765495 /nfs/dbraw/zinc/76/54/95/382765495.db2.gz KJOCBURLBZFTRG-HUUCEWRRSA-N 2 0 299.418 2.895 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCCC[NH+](C)C)ccc1F ZINC000212768823 382776730 /nfs/dbraw/zinc/77/67/30/382776730.db2.gz DYMGIFIACBNBEU-LBPRGKRZSA-N 2 0 268.376 2.827 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000337211276 382777998 /nfs/dbraw/zinc/77/79/98/382777998.db2.gz AIJJKNHTVNOMOO-SJLPKXTDSA-N 2 0 290.451 2.912 20 0 CFADRP COCc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000216427457 382783678 /nfs/dbraw/zinc/78/36/78/382783678.db2.gz KTWRUDZYUSYQOE-GRDNDAEWSA-N 2 0 276.424 2.651 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)c(OC)c2)C1 ZINC000194255745 382738603 /nfs/dbraw/zinc/73/86/03/382738603.db2.gz SYNUWEVCTOMRKX-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1C ZINC000194354426 382741805 /nfs/dbraw/zinc/74/18/05/382741805.db2.gz KURMRIQLOONZGT-HOTGVXAUSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc2c(s1)CCCC2 ZINC000219303457 382793181 /nfs/dbraw/zinc/79/31/81/382793181.db2.gz AWXXZBFYBWMKLN-CYBMUJFWSA-N 2 0 296.480 2.856 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@@H]([NH3+])C[C@@H]2C)o1 ZINC000577122859 382849046 /nfs/dbraw/zinc/84/90/46/382849046.db2.gz ZHTCDZSGOJZYRB-UONOGXRCSA-N 2 0 285.391 2.962 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1 ZINC000220382164 382796350 /nfs/dbraw/zinc/79/63/50/382796350.db2.gz OLCPNHWGCIGZPM-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@@H](C)c1ccc(F)cn1 ZINC000221038143 382796684 /nfs/dbraw/zinc/79/66/84/382796684.db2.gz AFBHFRWIJZDPQE-LBPRGKRZSA-N 2 0 253.365 2.602 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)COC(C)C)CC1 ZINC000337324244 382801459 /nfs/dbraw/zinc/80/14/59/382801459.db2.gz AZTGOWRXLMSYEB-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229063663 382849994 /nfs/dbraw/zinc/84/99/94/382849994.db2.gz RTCHRSAWVDPBMA-HIFRSBDPSA-N 2 0 262.397 2.502 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000337326912 382802325 /nfs/dbraw/zinc/80/23/25/382802325.db2.gz CWQCMIQQXDRMGZ-AWEZNQCLSA-N 2 0 256.434 2.654 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337339075 382805143 /nfs/dbraw/zinc/80/51/43/382805143.db2.gz OJWVOAMKXOJFJR-CZUORRHYSA-N 2 0 276.424 2.830 20 0 CFADRP CC[C@H](O)C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000576220550 382814524 /nfs/dbraw/zinc/81/45/24/382814524.db2.gz VYRMVWWOYTXQFH-JQHSSLGASA-N 2 0 290.451 2.648 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337437991 382820930 /nfs/dbraw/zinc/82/09/30/382820930.db2.gz KKLSIZOSGWSIQD-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000576478873 382824320 /nfs/dbraw/zinc/82/43/20/382824320.db2.gz FWGQGVWYETYFQN-RAIGVLPGSA-N 2 0 268.351 2.928 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000337462997 382825163 /nfs/dbraw/zinc/82/51/63/382825163.db2.gz KXFXYOROUVROKG-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325285 382826875 /nfs/dbraw/zinc/82/68/75/382826875.db2.gz VENNOAMZLHAMRE-STQMWFEESA-N 2 0 250.361 2.948 20 0 CFADRP CN(Cc1ccc(F)cc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226437823 382828660 /nfs/dbraw/zinc/82/86/60/382828660.db2.gz TZIOGMCOPYKCMS-NSHDSACASA-N 2 0 270.779 2.911 20 0 CFADRP COc1cccc(Cl)c1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000226447186 382828932 /nfs/dbraw/zinc/82/89/32/382828932.db2.gz LAOUGXJIRWXTMD-LBPRGKRZSA-N 2 0 282.815 2.923 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)C2CCOCC2)C1 ZINC000576801892 382836531 /nfs/dbraw/zinc/83/65/31/382836531.db2.gz NFKDWXMZJGVOIO-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000337536216 382838488 /nfs/dbraw/zinc/83/84/88/382838488.db2.gz YDKGJIMRKXWHID-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441292181 382905412 /nfs/dbraw/zinc/90/54/12/382905412.db2.gz SZGFTZVADZJTFC-GVDBMIGSSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000229936154 382854458 /nfs/dbraw/zinc/85/44/58/382854458.db2.gz FQRYGGBWECEQKA-CQSZACIVSA-N 2 0 276.424 2.645 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]21 ZINC000230046745 382855190 /nfs/dbraw/zinc/85/51/90/382855190.db2.gz ORLSNLCZEKWITF-AEGPPILISA-N 2 0 296.361 2.847 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]21 ZINC000230126347 382855980 /nfs/dbraw/zinc/85/59/80/382855980.db2.gz DLYFAUKBDJXCQY-IXDOHACOSA-N 2 0 281.403 2.794 20 0 CFADRP C[C@H]([NH3+])c1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000577351769 382856044 /nfs/dbraw/zinc/85/60/44/382856044.db2.gz HSLXZNBJZIQUTC-AWEZNQCLSA-N 2 0 287.451 2.670 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000577351858 382856226 /nfs/dbraw/zinc/85/62/26/382856226.db2.gz AWTSHUWLYYZRFR-CQSZACIVSA-N 2 0 284.407 2.751 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000577410407 382858218 /nfs/dbraw/zinc/85/82/18/382858218.db2.gz ACPHFDYJUOXPKQ-HZMVEIRTSA-N 2 0 274.408 2.624 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(N)c1 ZINC000230310320 382859203 /nfs/dbraw/zinc/85/92/03/382859203.db2.gz XUCPECGONLCCIZ-MRXNPFEDSA-N 2 0 261.413 2.575 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCCCOc2ccccc2)C1 ZINC000337771221 382863534 /nfs/dbraw/zinc/86/35/34/382863534.db2.gz VNAGZLOODHSUIC-INIZCTEOSA-N 2 0 262.397 2.516 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCCCOc2ccccc2)C1 ZINC000337771222 382863590 /nfs/dbraw/zinc/86/35/90/382863590.db2.gz VNAGZLOODHSUIC-MRXNPFEDSA-N 2 0 262.397 2.516 20 0 CFADRP c1cc(N2CCC([NH2+]CC3(C4CC4)CC3)CC2)cc[nH+]1 ZINC000232562972 382868952 /nfs/dbraw/zinc/86/89/52/382868952.db2.gz ULDZLCMVCFWYAG-UHFFFAOYSA-N 2 0 271.408 2.830 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1F ZINC000577735864 382869200 /nfs/dbraw/zinc/86/92/00/382869200.db2.gz UUAMJBIXMVQOEE-UHFFFAOYSA-N 2 0 280.387 2.785 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000577887434 382874665 /nfs/dbraw/zinc/87/46/65/382874665.db2.gz QWORMUZBHSWQSO-UPJWGTAASA-N 2 0 262.422 2.735 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337988027 382890233 /nfs/dbraw/zinc/89/02/33/382890233.db2.gz IOEKNQPOGWPNIO-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000578187221 382896760 /nfs/dbraw/zinc/89/67/60/382896760.db2.gz VDGTUQAAUQQFJZ-KRWDZBQOSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc(CCC[N@H+]2CC[C@@H](OC(C)C)C2)cn1 ZINC000578627369 382937819 /nfs/dbraw/zinc/93/78/19/382937819.db2.gz UZKIXJIJIJFBIV-MRXNPFEDSA-N 2 0 262.397 2.822 20 0 CFADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236961585 382938273 /nfs/dbraw/zinc/93/82/73/382938273.db2.gz LGFRCBRNHHOCKN-CJNGLKHVSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000422792926 532963938 /nfs/dbraw/zinc/96/39/38/532963938.db2.gz DYCPWJLGRRFFJI-ZJUUUORDSA-N 2 0 260.303 2.921 20 0 CFADRP COC1([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000421857306 382949889 /nfs/dbraw/zinc/94/98/89/382949889.db2.gz PBJMKBNMNSPHTA-FFHGMXDLSA-N 2 0 266.429 2.549 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000535083327 382951080 /nfs/dbraw/zinc/95/10/80/382951080.db2.gz YFLLHRCSFFJMOK-UHFFFAOYSA-N 2 0 263.429 2.577 20 0 CFADRP COc1cccc(CCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442765558 382953375 /nfs/dbraw/zinc/95/33/75/382953375.db2.gz IDVBQUOVEFSQKZ-SJPCQFCGSA-N 2 0 288.435 2.843 20 0 CFADRP CC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000421876840 382957413 /nfs/dbraw/zinc/95/74/13/382957413.db2.gz LHLJUNWQPMAZED-XMTFNYHQSA-N 2 0 288.435 2.543 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1O ZINC000421877734 382957581 /nfs/dbraw/zinc/95/75/81/382957581.db2.gz MGPZDVQOXBTAKM-LRVUVFPRSA-N 2 0 292.423 2.924 20 0 CFADRP CC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000421876841 382957888 /nfs/dbraw/zinc/95/78/88/382957888.db2.gz LHLJUNWQPMAZED-ZJPYXAASSA-N 2 0 288.435 2.543 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000578857705 382961030 /nfs/dbraw/zinc/96/10/30/382961030.db2.gz RPQZGFHUOFWYAI-ZBFHGGJFSA-N 2 0 286.423 2.617 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422774270 532965191 /nfs/dbraw/zinc/96/51/91/532965191.db2.gz WKMVKEBUPMBFHD-NEPJUHHUSA-N 2 0 250.361 2.573 20 0 CFADRP C[C@@]1(F)CC[NH+](CCCC[N@H+]2CC[C@@](C)(F)C2)C1 ZINC000534308268 382924287 /nfs/dbraw/zinc/92/42/87/382924287.db2.gz UZPTXUQPDBHWHY-ZIAGYGMSSA-N 2 0 260.372 2.634 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1C(F)(F)F ZINC000422730699 532963583 /nfs/dbraw/zinc/96/35/83/532963583.db2.gz FHOUJVCMDNBJDD-MNOVXSKESA-N 2 0 274.330 2.963 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422707746 382976172 /nfs/dbraw/zinc/97/61/72/382976172.db2.gz WZZLEBYGPVCWKT-KSZLIROESA-N 2 0 293.499 2.761 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000422726809 382976612 /nfs/dbraw/zinc/97/66/12/382976612.db2.gz GAASVWKALGMPMQ-ZWKOTPCHSA-N 2 0 294.398 2.898 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000422709911 382977006 /nfs/dbraw/zinc/97/70/06/382977006.db2.gz LEPPMUZAAXHBEC-XJKSGUPXSA-N 2 0 281.419 2.536 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CC1 ZINC000422770558 382978915 /nfs/dbraw/zinc/97/89/15/382978915.db2.gz QIDAUMCABAIMQF-SWLSCSKDSA-N 2 0 262.372 2.574 20 0 CFADRP CN(CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Cc1ccc(F)cc1 ZINC000422820518 382981760 /nfs/dbraw/zinc/98/17/60/382981760.db2.gz RAJIHOYZGWYPIB-IRXDYDNUSA-N 2 0 293.430 2.507 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)CC(C)C ZINC000422826740 382981975 /nfs/dbraw/zinc/98/19/75/382981975.db2.gz MAGHBDXRLPGGAC-GJZGRUSLSA-N 2 0 292.471 2.901 20 0 CFADRP Cc1ccc([C@H](CN[C@H]2CCC[C@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000422831036 382982655 /nfs/dbraw/zinc/98/26/55/382982655.db2.gz SDKNBFUVIKFROB-SQNIBIBYSA-N 2 0 287.451 2.601 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422830310 382982729 /nfs/dbraw/zinc/98/27/29/382982729.db2.gz CNCKKQAWWOYFIB-IMJJTQAJSA-N 2 0 276.449 2.734 20 0 CFADRP C1CCC([N@@H+]2CC[C@H](N[C@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)C1 ZINC000422863520 382983383 /nfs/dbraw/zinc/98/33/83/382983383.db2.gz RTTBXTHVUYULAI-DKIMLUQUSA-N 2 0 291.483 2.514 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841487 382984238 /nfs/dbraw/zinc/98/42/38/382984238.db2.gz VZYRRGXVYQOBPO-IKJBURDNSA-N 3 0 295.515 2.994 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422882884 382985146 /nfs/dbraw/zinc/98/51/46/382985146.db2.gz BKIIRLXFHDWHPU-NUEKZKHPSA-N 2 0 274.408 2.802 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910880 382988130 /nfs/dbraw/zinc/98/81/30/382988130.db2.gz RSOTYPLAWQKZSC-UXLLHSPISA-N 2 0 281.488 2.747 20 0 CFADRP Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422921404 382988631 /nfs/dbraw/zinc/98/86/31/382988631.db2.gz OBYBJTCGLVTPSA-YQQAZPJKSA-N 2 0 260.425 2.965 20 0 CFADRP CC[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)[NH+]1CCCC1 ZINC000422962537 382989215 /nfs/dbraw/zinc/98/92/15/382989215.db2.gz GANQGRVAJFSLLD-BRWVUGGUSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422974282 382991033 /nfs/dbraw/zinc/99/10/33/382991033.db2.gz QUDBUAGJLZCVDV-BNEJOLLZSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1 ZINC000422975186 382992226 /nfs/dbraw/zinc/99/22/26/382992226.db2.gz BGJGCZYNIMLLSM-VDHUWJSZSA-N 2 0 288.435 2.964 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCC2)CC1 ZINC000422974425 382993048 /nfs/dbraw/zinc/99/30/48/382993048.db2.gz QXSJTSNPFXLNCA-NVXWUHKLSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCC2)CC1 ZINC000422974426 382993068 /nfs/dbraw/zinc/99/30/68/382993068.db2.gz QXSJTSNPFXLNCA-RDJZCZTQSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000422981715 382995219 /nfs/dbraw/zinc/99/52/19/382995219.db2.gz PBOSFGWRLPESDH-ZIAGYGMSSA-N 2 0 250.386 2.561 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1COC2 ZINC000422988035 382998901 /nfs/dbraw/zinc/99/89/01/382998901.db2.gz HXHUJZACFOKGLX-FGTMMUONSA-N 2 0 286.419 2.727 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ccccn1 ZINC000422995541 383001104 /nfs/dbraw/zinc/00/11/04/383001104.db2.gz KISSFHOROBXYNQ-CRAIPNDOSA-N 2 0 283.419 2.562 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000422996236 383001264 /nfs/dbraw/zinc/00/12/64/383001264.db2.gz SJHBDAMHLQFJAL-RBSFLKMASA-N 2 0 291.464 2.814 20 0 CFADRP COCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C(C)(C)C ZINC000338357346 383001333 /nfs/dbraw/zinc/00/13/33/383001333.db2.gz UTDGANGROQWGML-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1c(C)c(C)c(C[NH2+][C@H](C)C2C[NH2+]C2)c(C)c1C ZINC000422994672 383001645 /nfs/dbraw/zinc/00/16/45/383001645.db2.gz IINRDVYIWWORBC-OAHLLOKOSA-N 2 0 260.425 2.926 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCCc2ccccn2)c2ccccc21 ZINC000422996118 383001745 /nfs/dbraw/zinc/00/17/45/383001745.db2.gz KYFWCZJIMBLFIE-IAGOWNOFSA-N 2 0 267.376 2.749 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000422994204 383001944 /nfs/dbraw/zinc/00/19/44/383001944.db2.gz UWLAGEDIDVUGQF-HIEASXQVSA-N 2 0 288.435 2.984 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422999473 383004696 /nfs/dbraw/zinc/00/46/96/383004696.db2.gz FFYWSQJGKCQGHL-TWMKSMIVSA-N 2 0 296.499 2.930 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423004361 383006690 /nfs/dbraw/zinc/00/66/90/383006690.db2.gz OTINRNMULDHQQP-UKRRQHHQSA-N 2 0 282.815 2.574 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423004711 383006981 /nfs/dbraw/zinc/00/69/81/383006981.db2.gz PUPMZAIIEBJMBY-CYBMUJFWSA-N 2 0 250.386 2.611 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000423008638 383010012 /nfs/dbraw/zinc/01/00/12/383010012.db2.gz ATIUGZOQYUQRJO-KBPBESRZSA-N 2 0 258.475 2.743 20 0 CFADRP CC(C)CSCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423009304 383010296 /nfs/dbraw/zinc/01/02/96/383010296.db2.gz COACLTONAPYWMJ-ZBFHGGJFSA-N 2 0 280.481 2.924 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423008333 383010357 /nfs/dbraw/zinc/01/03/57/383010357.db2.gz ZXVZZCSRULREMD-MPTYRVRUSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)CSCCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013702 383011599 /nfs/dbraw/zinc/01/15/99/383011599.db2.gz NILXXSALJSQGHD-ZIAGYGMSSA-N 2 0 258.475 2.886 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCCO1 ZINC000423016723 383012428 /nfs/dbraw/zinc/01/24/28/383012428.db2.gz UKEXIJZSPOISGZ-JONQDZQNSA-N 2 0 260.381 2.678 20 0 CFADRP CS[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000423028033 383018510 /nfs/dbraw/zinc/01/85/10/383018510.db2.gz FNWZYSKJCMTXMN-HNGCFSAESA-N 2 0 256.459 2.637 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423016472 383012758 /nfs/dbraw/zinc/01/27/58/383012758.db2.gz SZTGVBCCPUIVMK-DZGCQCFKSA-N 2 0 296.842 2.998 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423017807 383014240 /nfs/dbraw/zinc/01/42/40/383014240.db2.gz PPCAEHKHBHZREW-YXMPFFBPSA-N 2 0 268.376 2.617 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423019105 383015168 /nfs/dbraw/zinc/01/51/68/383015168.db2.gz TYPPYKAGSFNJEV-XFBWCDHKSA-N 2 0 298.377 2.902 20 0 CFADRP CC(C)[C@@H](O)C1(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000423020278 383015485 /nfs/dbraw/zinc/01/54/85/383015485.db2.gz ZSAIHXRYPRBKLT-BZUAXINKSA-N 2 0 282.472 2.684 20 0 CFADRP CC(C)CSCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423018814 383015591 /nfs/dbraw/zinc/01/55/91/383015591.db2.gz ZVRUJZGPJOEBJY-PBWFPOADSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000443200458 382966388 /nfs/dbraw/zinc/96/63/88/382966388.db2.gz TWYFXBKIVIJVOF-GLQYFDAESA-N 2 0 278.371 2.579 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423046709 383028710 /nfs/dbraw/zinc/02/87/10/383028710.db2.gz UKLMWNLICOKMBO-COLVAYQJSA-N 2 0 297.805 2.527 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000423049629 383031172 /nfs/dbraw/zinc/03/11/72/383031172.db2.gz KAQVEDBPQAJTLC-RRQGHBQHSA-N 2 0 288.435 2.568 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423050529 383031320 /nfs/dbraw/zinc/03/13/20/383031320.db2.gz MAJYITHWTZADHN-NWDGAFQWSA-N 2 0 266.433 2.725 20 0 CFADRP Fc1ccc(CCCC[NH2+]C2CC[NH2+]CC2)cc1F ZINC000423055104 383032835 /nfs/dbraw/zinc/03/28/35/383032835.db2.gz VUDUESLJEDIZKN-UHFFFAOYSA-N 2 0 268.351 2.629 20 0 CFADRP COCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCCCC1 ZINC000423058162 383034403 /nfs/dbraw/zinc/03/44/03/383034403.db2.gz BLBPNXLNQMXAMR-CVEARBPZSA-N 2 0 282.472 2.951 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000423060540 383035388 /nfs/dbraw/zinc/03/53/88/383035388.db2.gz OUEAKNBBAWRAHY-TWMKSMIVSA-N 2 0 258.409 2.867 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423059586 383035630 /nfs/dbraw/zinc/03/56/30/383035630.db2.gz FZEHOKPKPGKAHU-QAPCUYQASA-N 2 0 289.467 2.614 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423059934 383035675 /nfs/dbraw/zinc/03/56/75/383035675.db2.gz NFIOHIMRVBGVPT-SMDDNHRTSA-N 2 0 297.240 2.975 20 0 CFADRP CC(C)C(C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C(C)C ZINC000551186142 383036192 /nfs/dbraw/zinc/03/61/92/383036192.db2.gz FBWAYDJRSNJTCK-INIZCTEOSA-N 2 0 284.488 2.741 20 0 CFADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423061319 383036538 /nfs/dbraw/zinc/03/65/38/383036538.db2.gz QOPAXYLRTWBRIZ-AYOQOUSVSA-N 2 0 296.414 2.633 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])CC(C)(C)C ZINC000423062130 383036563 /nfs/dbraw/zinc/03/65/63/383036563.db2.gz SMNVVJKDXFJPQH-LXTVHRRPSA-N 2 0 270.461 2.791 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])cn(C)c2c1 ZINC000423062675 383036803 /nfs/dbraw/zinc/03/68/03/383036803.db2.gz URKJFDCERRFJBQ-KBPBESRZSA-N 2 0 273.424 2.745 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423062720 383036848 /nfs/dbraw/zinc/03/68/48/383036848.db2.gz UVBGDVKSUKVSST-HOCLYGCPSA-N 2 0 275.440 2.748 20 0 CFADRP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423061320 383037122 /nfs/dbraw/zinc/03/71/22/383037122.db2.gz QOPAXYLRTWBRIZ-LZQZEXGQSA-N 2 0 296.414 2.633 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CCC[C@@H]3C[NH3+])cn(C)c2c1 ZINC000423064475 383038411 /nfs/dbraw/zinc/03/84/11/383038411.db2.gz ZFZYWMKIYZTVBB-PBHICJAKSA-N 2 0 285.435 2.746 20 0 CFADRP CCOC1CC(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)C1 ZINC000423066301 383038661 /nfs/dbraw/zinc/03/86/61/383038661.db2.gz DKXATHKILKGDLF-XEBKBJJBSA-N 2 0 291.439 2.705 20 0 CFADRP CC(C)(CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C[NH+]1CCCC1 ZINC000423069093 383039991 /nfs/dbraw/zinc/03/99/91/383039991.db2.gz DDYIDGPAQFTLOD-IAGOWNOFSA-N 2 0 287.451 2.843 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423084616 383041630 /nfs/dbraw/zinc/04/16/30/383041630.db2.gz IDBBATBIJITWSI-HOTGVXAUSA-N 2 0 294.483 2.830 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423093836 383041987 /nfs/dbraw/zinc/04/19/87/383041987.db2.gz IOVSEENXGHOJOE-VEZWFGLTSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423114049 383042524 /nfs/dbraw/zinc/04/25/24/383042524.db2.gz ZUMNRCCAMYZLFY-SLEUVZQESA-N 2 0 283.847 2.658 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423111802 383042772 /nfs/dbraw/zinc/04/27/72/383042772.db2.gz JIFOUSNUXZCQLG-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000423115871 383043107 /nfs/dbraw/zinc/04/31/07/383043107.db2.gz OKXHKUQELLVWHH-XFIYOXNOSA-N 2 0 268.445 2.830 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000423142885 383045574 /nfs/dbraw/zinc/04/55/74/383045574.db2.gz BNTHNXOFDBALTO-CFVMTHIKSA-N 2 0 276.449 2.996 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)C1(C)C ZINC000423183435 383047557 /nfs/dbraw/zinc/04/75/57/383047557.db2.gz RTYUSQZZZZXBGG-UONOGXRCSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423170686 383047782 /nfs/dbraw/zinc/04/77/82/383047782.db2.gz MROOHERNBMENET-TUUVXOQKSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000338784354 383051126 /nfs/dbraw/zinc/05/11/26/383051126.db2.gz XNUVKWNJZBRCJK-IBEHDNSVSA-N 2 0 268.445 2.652 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000423257277 383052710 /nfs/dbraw/zinc/05/27/10/383052710.db2.gz IMRJHJHJBSSAAJ-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423268354 383054334 /nfs/dbraw/zinc/05/43/34/383054334.db2.gz GDLMGKJGOIOGTD-HWWQOWPSSA-N 2 0 264.388 2.894 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423392220 383079377 /nfs/dbraw/zinc/07/93/77/383079377.db2.gz LLTADJVHHWZMRF-IWCQGFGOSA-N 2 0 258.409 2.910 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423305022 383056839 /nfs/dbraw/zinc/05/68/39/383056839.db2.gz ZYQUEJGYQPESDZ-CZUORRHYSA-N 2 0 291.439 2.557 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CCn2cccn2)C1 ZINC000245996251 383057552 /nfs/dbraw/zinc/05/75/52/383057552.db2.gz RHJMIVUSVNIBFI-IAGOWNOFSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423355588 383061918 /nfs/dbraw/zinc/06/19/18/383061918.db2.gz IICXDINDSJYDPI-GDBMZVCRSA-N 2 0 261.413 2.525 20 0 CFADRP COC1(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000579887050 383062790 /nfs/dbraw/zinc/06/27/90/383062790.db2.gz MAGUHLBMDNLVPT-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423360298 383064068 /nfs/dbraw/zinc/06/40/68/383064068.db2.gz LFDCYCJPDKVVDA-XFJVYGCCSA-N 2 0 262.372 2.791 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000423363905 383065204 /nfs/dbraw/zinc/06/52/04/383065204.db2.gz CCSLCFRTHPZTBW-HEHGZKQESA-N 2 0 262.397 2.652 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC[NH2+]1 ZINC000423365846 383066324 /nfs/dbraw/zinc/06/63/24/383066324.db2.gz BZPLIPMGWHMYFH-JOCBIADPSA-N 2 0 288.435 2.884 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000423368102 383067058 /nfs/dbraw/zinc/06/70/58/383067058.db2.gz CXNRPTGAMMVXSI-CBBWQLFWSA-N 2 0 268.445 2.830 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000423368226 383067758 /nfs/dbraw/zinc/06/77/58/383067758.db2.gz DFQGGPBWYMJOTF-CYZMBNFOSA-N 2 0 266.360 2.755 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)n1 ZINC000423369473 383067781 /nfs/dbraw/zinc/06/77/81/383067781.db2.gz DVEJJGBAFRPYLC-AWEZNQCLSA-N 2 0 298.434 2.788 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000552063725 383068215 /nfs/dbraw/zinc/06/82/15/383068215.db2.gz KMAQNJONALQVRI-XLAORIBOSA-N 2 0 294.483 2.779 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000423372434 383068881 /nfs/dbraw/zinc/06/88/81/383068881.db2.gz GHZJPLABZVDFJZ-RDBSUJKOSA-N 2 0 262.397 2.795 20 0 CFADRP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423370055 383069181 /nfs/dbraw/zinc/06/91/81/383069181.db2.gz UBJYAJLHDDNVDE-OCCSQVGLSA-N 2 0 262.422 2.955 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423374315 383069927 /nfs/dbraw/zinc/06/99/27/383069927.db2.gz JTAMKZUGSJOBMU-LJISPDSOSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)C(C)(C)c1ccccc1 ZINC000423382025 383074371 /nfs/dbraw/zinc/07/43/71/383074371.db2.gz DEKMIMBCLWFBBD-YCPHGPKFSA-N 2 0 260.425 2.940 20 0 CFADRP CC1=CC[C@@H](Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000552152976 383074782 /nfs/dbraw/zinc/07/47/82/383074782.db2.gz RDAMLPCLYJMYJC-OAHLLOKOSA-N 2 0 286.423 2.744 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1 ZINC000423382612 383074966 /nfs/dbraw/zinc/07/49/66/383074966.db2.gz DLLOZCDGNUBGPG-CQDKDKBSSA-N 2 0 250.361 2.864 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423027877 383018859 /nfs/dbraw/zinc/01/88/59/383018859.db2.gz FGWSOOANRUYCPQ-VNHYZAJKSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423030756 383019864 /nfs/dbraw/zinc/01/98/64/383019864.db2.gz WFJWSLVWWGXDTQ-WDEREUQCSA-N 2 0 269.458 2.699 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCO1 ZINC000423034687 383022511 /nfs/dbraw/zinc/02/25/11/383022511.db2.gz QHNNZOQTJVZTJQ-HHARLNAUSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037290 383023715 /nfs/dbraw/zinc/02/37/15/383023715.db2.gz MOTMBHZTNFPOKU-NKKGCODLSA-N 2 0 292.398 2.776 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423037489 383024055 /nfs/dbraw/zinc/02/40/55/383024055.db2.gz WBGURYMFNLTPOX-DGCLKSJQSA-N 2 0 286.341 2.754 20 0 CFADRP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423039546 383024644 /nfs/dbraw/zinc/02/46/44/383024644.db2.gz QUNHXNJJHKEKFA-HFAKWTLXSA-N 2 0 282.815 2.614 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCO1 ZINC000423039196 383024675 /nfs/dbraw/zinc/02/46/75/383024675.db2.gz DWBGZKCQFCUPJS-JJXSEGSLSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423042464 383025859 /nfs/dbraw/zinc/02/58/59/383025859.db2.gz ZIOSMPUFEIJFNE-WXHSDQCUSA-N 2 0 267.442 2.662 20 0 CFADRP C[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710205 383026003 /nfs/dbraw/zinc/02/60/03/383026003.db2.gz NBDPDLNSHYRPMF-NRSFXHEJSA-N 2 0 288.435 2.543 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000423042062 383026595 /nfs/dbraw/zinc/02/65/95/383026595.db2.gz YLBKSJCCLUAZJP-CZUORRHYSA-N 2 0 291.439 2.849 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)CCC[NH3+] ZINC000423043864 383027584 /nfs/dbraw/zinc/02/75/84/383027584.db2.gz AEPVWYSBCNYBQX-UKRRQHHQSA-N 2 0 276.424 2.832 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000246905281 383119535 /nfs/dbraw/zinc/11/95/35/383119535.db2.gz FPFHVQGZQHRYSZ-HEHGZKQESA-N 2 0 294.414 2.695 20 0 CFADRP c1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423493762 383119827 /nfs/dbraw/zinc/11/98/27/383119827.db2.gz RDIKNXWYRWFCPL-MSOLQXFVSA-N 2 0 288.435 2.886 20 0 CFADRP c1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCCC2)cc1 ZINC000423493765 383120442 /nfs/dbraw/zinc/12/04/42/383120442.db2.gz RDIKNXWYRWFCPL-ZWKOTPCHSA-N 2 0 288.435 2.886 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000246909704 383120759 /nfs/dbraw/zinc/12/07/59/383120759.db2.gz FUUKSMRQEVFZKW-KBPBESRZSA-N 2 0 281.469 2.847 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423494979 383121802 /nfs/dbraw/zinc/12/18/02/383121802.db2.gz TUHQMJSRJRXNIP-MJBXVCDLSA-N 2 0 292.423 2.790 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccnn1C ZINC000423499084 383122536 /nfs/dbraw/zinc/12/25/36/383122536.db2.gz ALKUJOGVHACEQL-DZGCQCFKSA-N 2 0 272.396 2.551 20 0 CFADRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C1CCOCC1 ZINC000423498608 383122657 /nfs/dbraw/zinc/12/26/57/383122657.db2.gz IINWGGUOVOITSN-RHSMWYFYSA-N 2 0 276.424 2.871 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000246934698 383123274 /nfs/dbraw/zinc/12/32/74/383123274.db2.gz HHQPBOANVXRETK-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2C)[C@@H](C)C1 ZINC000246938097 383123909 /nfs/dbraw/zinc/12/39/09/383123909.db2.gz HNNBBESTKBSMGP-JKSUJKDBSA-N 2 0 276.424 2.694 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423502690 383123921 /nfs/dbraw/zinc/12/39/21/383123921.db2.gz MFYYWWJRTGDPHN-GUDVDZBRSA-N 2 0 295.430 2.983 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423532656 383126345 /nfs/dbraw/zinc/12/63/45/383126345.db2.gz VOVBCZAXHGEJCE-MMLUDYIGSA-N 2 0 262.441 2.918 20 0 CFADRP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423537367 383126713 /nfs/dbraw/zinc/12/67/13/383126713.db2.gz CPRBHVODNNSJQU-OVYGPGRDSA-N 2 0 262.441 2.933 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000246974387 383127106 /nfs/dbraw/zinc/12/71/06/383127106.db2.gz JHLNAGVAAVANLN-BLLLJJGKSA-N 2 0 282.378 2.827 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CCC1 ZINC000339040125 383128596 /nfs/dbraw/zinc/12/85/96/383128596.db2.gz CTTQKLWZWYXCFJ-LSDHHAIUSA-N 2 0 277.412 2.725 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067846 383137942 /nfs/dbraw/zinc/13/79/42/383137942.db2.gz JOAZHTSPXKEARL-DLBZAZTESA-N 2 0 288.435 2.899 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247069913 383139440 /nfs/dbraw/zinc/13/94/40/383139440.db2.gz OEJCKATZGLPVBA-WCVJEAGWSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000247089305 383141439 /nfs/dbraw/zinc/14/14/39/383141439.db2.gz RNAXLYCTNHGMII-PBHICJAKSA-N 2 0 276.424 2.653 20 0 CFADRP COc1cc(C)ccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449031725 383142348 /nfs/dbraw/zinc/14/23/48/383142348.db2.gz VWOJJRCGEOQBRQ-HOCLYGCPSA-N 2 0 276.424 2.918 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000247095978 383143045 /nfs/dbraw/zinc/14/30/45/383143045.db2.gz OHPNNJYLZRHFKS-QGPMSJSTSA-N 2 0 290.451 2.866 20 0 CFADRP COC1(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000338910139 383083057 /nfs/dbraw/zinc/08/30/57/383083057.db2.gz CGSHSULXLUJHJL-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423400307 383083371 /nfs/dbraw/zinc/08/33/71/383083371.db2.gz QFJHCVTVVUUHLF-WOSRLPQWSA-N 2 0 272.392 2.951 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000423402890 383084427 /nfs/dbraw/zinc/08/44/27/383084427.db2.gz XFKQFOZFLPEMNL-LBPRGKRZSA-N 2 0 298.377 2.632 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423409340 383086333 /nfs/dbraw/zinc/08/63/33/383086333.db2.gz YSZABVMCUYRMCH-RLCCDNCMSA-N 2 0 262.372 2.864 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000423409006 383086662 /nfs/dbraw/zinc/08/66/62/383086662.db2.gz YHUCLCUQHDQGSW-IPYPFGDCSA-N 2 0 292.423 2.661 20 0 CFADRP COCC1(C[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC[NH2+]CC1 ZINC000423410552 383087587 /nfs/dbraw/zinc/08/75/87/383087587.db2.gz SBSLDCAQIXNQAN-CYBMUJFWSA-N 2 0 282.472 2.663 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000423427020 383091348 /nfs/dbraw/zinc/09/13/48/383091348.db2.gz FMAYJZJTKDLKDF-CJNGLKHVSA-N 2 0 291.439 2.615 20 0 CFADRP c1ccc([C@@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423425767 383091406 /nfs/dbraw/zinc/09/14/06/383091406.db2.gz HCMRKSIWHVTBJQ-FIDHJVLJSA-N 2 0 256.393 2.520 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000423426450 383091560 /nfs/dbraw/zinc/09/15/60/383091560.db2.gz PFVLQFNHSDLSGE-RBSFLKMASA-N 2 0 278.444 2.880 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000423426462 383091886 /nfs/dbraw/zinc/09/18/86/383091886.db2.gz PIAPXLIFHDWOSU-SMLCLMEVSA-N 2 0 292.467 2.689 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000423429735 383092477 /nfs/dbraw/zinc/09/24/77/383092477.db2.gz KKSXOEVRGXQSMN-DOMZBBRYSA-N 2 0 290.386 2.745 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000423432408 383093606 /nfs/dbraw/zinc/09/36/06/383093606.db2.gz MHMCZRBZEUXXMS-STQMWFEESA-N 2 0 277.412 2.813 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000552931192 383094074 /nfs/dbraw/zinc/09/40/74/383094074.db2.gz GJTHKXUGKAGBJN-DLBZAZTESA-N 2 0 280.456 2.677 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423432328 383094128 /nfs/dbraw/zinc/09/41/28/383094128.db2.gz BDBXVCLJLNWLAV-ZDUSSCGKSA-N 2 0 261.413 2.652 20 0 CFADRP Cc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433629 383094700 /nfs/dbraw/zinc/09/47/00/383094700.db2.gz NGSNERHEYMVSGO-VVLHAWIVSA-N 2 0 258.409 2.890 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000246709387 383095556 /nfs/dbraw/zinc/09/55/56/383095556.db2.gz ZWGYNBHCYIIUJY-UGUYLWEFSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000423438789 383096255 /nfs/dbraw/zinc/09/62/55/383096255.db2.gz NHJMRTPUCPMVSJ-RIEGTJTDSA-N 2 0 279.815 2.774 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423443208 383098430 /nfs/dbraw/zinc/09/84/30/383098430.db2.gz QHZAEROUXJIMMQ-VBNZEHGJSA-N 2 0 274.408 2.734 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000584420990 383101455 /nfs/dbraw/zinc/10/14/55/383101455.db2.gz YZCBYFGJNJBAAY-QMTHXVAHSA-N 2 0 297.240 2.797 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247150643 383147262 /nfs/dbraw/zinc/14/72/62/383147262.db2.gz SXGMBUAYSZTANY-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP CCc1[nH+]c2ccccc2c(N[C@@H](C)C[NH+](C)C)c1C ZINC000553357150 383106587 /nfs/dbraw/zinc/10/65/87/383106587.db2.gz IVLXFMACBJIIEJ-LBPRGKRZSA-N 2 0 271.408 2.890 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000423469073 383107313 /nfs/dbraw/zinc/10/73/13/383107313.db2.gz YKFRFDSGNKPLBM-GWCFXTLKSA-N 2 0 266.360 2.539 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423470851 383107839 /nfs/dbraw/zinc/10/78/39/383107839.db2.gz DMTBBRKLGRLLMO-DGCLKSJQSA-N 2 0 297.830 2.926 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000423470674 383108512 /nfs/dbraw/zinc/10/85/12/383108512.db2.gz ZFWRNYVBEVHSEE-DZGCQCFKSA-N 2 0 262.397 2.926 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423473902 383109494 /nfs/dbraw/zinc/10/94/94/383109494.db2.gz GYKFNTJZOWMYEW-YPMHNXCESA-N 2 0 296.436 2.718 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423473259 383109543 /nfs/dbraw/zinc/10/95/43/383109543.db2.gz GMRRIUAASZXLKG-ZIAGYGMSSA-N 2 0 292.423 2.887 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423473257 383109573 /nfs/dbraw/zinc/10/95/73/383109573.db2.gz GMRRIUAASZXLKG-KGLIPLIRSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423475706 383110597 /nfs/dbraw/zinc/11/05/97/383110597.db2.gz RWTQIGQKXGFQGH-AEGPPILISA-N 2 0 262.397 2.559 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423474353 383110657 /nfs/dbraw/zinc/11/06/57/383110657.db2.gz OQXPFDCQKCAWEA-UICACZKSSA-N 2 0 294.414 2.532 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584540430 383111711 /nfs/dbraw/zinc/11/17/11/383111711.db2.gz YQMIMYYNTPPQND-ZWKOTPCHSA-N 3 0 289.467 2.886 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423479500 383112517 /nfs/dbraw/zinc/11/25/17/383112517.db2.gz VMOJKSKXIBUBBO-MXWKQRLJSA-N 2 0 256.340 2.611 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(Cl)cc1 ZINC000423482689 383113687 /nfs/dbraw/zinc/11/36/87/383113687.db2.gz RUQPAQFWNMYNIQ-CVEARBPZSA-N 2 0 295.858 2.674 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc2c(c1)OCO2 ZINC000246862830 383115034 /nfs/dbraw/zinc/11/50/34/383115034.db2.gz CQHIRTHDGCOYKD-AEGPPILISA-N 2 0 290.407 2.939 20 0 CFADRP c1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000246865093 383115150 /nfs/dbraw/zinc/11/51/50/383115150.db2.gz PUQFORQFWVESDW-MAUKXSAKSA-N 2 0 285.435 2.573 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000423483997 383115835 /nfs/dbraw/zinc/11/58/35/383115835.db2.gz QPCIULIBZZUKAG-KFWWJZLASA-N 2 0 268.445 2.702 20 0 CFADRP c1c[nH]c([C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccccc2)n1 ZINC000423487484 383116499 /nfs/dbraw/zinc/11/64/99/383116499.db2.gz UIMQOVHSDSTJBK-HZPDHXFCSA-N 2 0 284.407 2.621 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423490900 383119323 /nfs/dbraw/zinc/11/93/23/383119323.db2.gz ITUBKIQLKBGTHG-HFBAOOFYSA-N 2 0 262.372 2.994 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000449105376 383176807 /nfs/dbraw/zinc/17/68/07/383176807.db2.gz DGCGNEVLBZKBGX-OAHLLOKOSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449103587 383177119 /nfs/dbraw/zinc/17/71/19/383177119.db2.gz QXFYMRRAGGWQIS-BZUAXINKSA-N 2 0 294.439 2.690 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000449103240 383177616 /nfs/dbraw/zinc/17/76/16/383177616.db2.gz AAAIEZQISHGQNS-CZUORRHYSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000449129016 383179755 /nfs/dbraw/zinc/17/97/55/383179755.db2.gz AWSQCBUYXPSQQA-SOLBZPMBSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCCC12CCCCC2)N1CC[NH+](C)CC1 ZINC000449136651 383180122 /nfs/dbraw/zinc/18/01/22/383180122.db2.gz VSUSBPHUCFTQHG-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP COCC1CCC([NH2+]CC2(C[NH+](C)C)CCCC2)CC1 ZINC000449243195 383186004 /nfs/dbraw/zinc/18/60/04/383186004.db2.gz IXJRVQWLDKQWDW-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000517746831 383191981 /nfs/dbraw/zinc/19/19/81/383191981.db2.gz CLYZEEKYUKBFJG-IAGOWNOFSA-N 2 0 282.472 2.590 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334363 296343608 /nfs/dbraw/zinc/34/36/08/296343608.db2.gz UHKPVVFWIPFCFU-OWSLCNJRSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000566617175 383194671 /nfs/dbraw/zinc/19/46/71/383194671.db2.gz KXXKAEMDXIPFMZ-QGZVFWFLSA-N 2 0 287.451 2.740 20 0 CFADRP Cc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000449317163 383214022 /nfs/dbraw/zinc/21/40/22/383214022.db2.gz BLGJUULVCKSMQI-UHFFFAOYSA-N 2 0 297.512 2.762 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCOC2(CCC2)C1)C[NH+]1CCCC1 ZINC000449285950 383198985 /nfs/dbraw/zinc/19/89/85/383198985.db2.gz RSUIWZXONJQMDG-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(CCC[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424180805 383199696 /nfs/dbraw/zinc/19/96/96/383199696.db2.gz WLKUTZSGHGNIQA-OAHLLOKOSA-N 2 0 297.487 2.698 20 0 CFADRP C[C@@H](CCCC[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424179767 383199726 /nfs/dbraw/zinc/19/97/26/383199726.db2.gz UJNUNXWZVIANOU-GOEBONIOSA-N 2 0 297.487 2.698 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1CC(F)(F)C1 ZINC000423160485 532974866 /nfs/dbraw/zinc/97/48/66/532974866.db2.gz HLLKDMSXPRJKSE-IUODEOHRSA-N 2 0 282.378 2.970 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247997079 383205066 /nfs/dbraw/zinc/20/50/66/383205066.db2.gz JXVNBJVEBIUVOM-HPFXQQBRSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000518753930 383207186 /nfs/dbraw/zinc/20/71/86/383207186.db2.gz YOLLAUPPILDRON-HUUCEWRRSA-N 2 0 275.440 2.645 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000566791115 383211048 /nfs/dbraw/zinc/21/10/48/383211048.db2.gz RPGJXBWHPUIXLB-MSOLQXFVSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000449083011 383167755 /nfs/dbraw/zinc/16/77/55/383167755.db2.gz RQZFHDJVIQIIED-HUUCEWRRSA-N 2 0 270.486 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3ccoc32)C1 ZINC000449086519 383169175 /nfs/dbraw/zinc/16/91/75/383169175.db2.gz BYAUZHRVGFGAQG-CYBMUJFWSA-N 2 0 258.365 2.864 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nccs2)[C@@H](C)C1 ZINC000248494486 383250323 /nfs/dbraw/zinc/25/03/23/383250323.db2.gz KKXWLUANLZYEOY-AGIUHOORSA-N 2 0 267.442 2.567 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000449403981 383268664 /nfs/dbraw/zinc/26/86/64/383268664.db2.gz SMMNOPNNCSGQIJ-QAPCUYQASA-N 2 0 292.467 2.966 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)C1 ZINC000567406130 383272210 /nfs/dbraw/zinc/27/22/10/383272210.db2.gz DXWHRGGHUWKFFT-KFWWJZLASA-N 2 0 291.414 2.512 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(F)cc(F)c1 ZINC000567439959 383275017 /nfs/dbraw/zinc/27/50/17/383275017.db2.gz YOHNPYWTLZRAJM-OLZOCXBDSA-N 2 0 282.378 3.000 20 0 CFADRP CC/C=C\CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664368 383279130 /nfs/dbraw/zinc/27/91/30/383279130.db2.gz APKGZSWHPXXQTD-UOXFBRONSA-N 2 0 280.456 2.916 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000519602240 383230002 /nfs/dbraw/zinc/23/00/02/383230002.db2.gz JUKRPPZKEKBRGA-KRWDZBQOSA-N 2 0 276.424 2.838 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000567041250 383235365 /nfs/dbraw/zinc/23/53/65/383235365.db2.gz IFIQFSRRCLXKFH-NSHDSACASA-N 2 0 252.427 2.887 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000567894571 383326967 /nfs/dbraw/zinc/32/69/67/383326967.db2.gz FKNBULCHVIYIHV-QGZVFWFLSA-N 2 0 252.361 2.922 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000249142219 383330107 /nfs/dbraw/zinc/33/01/07/383330107.db2.gz WIBZUYSRRAYHRK-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000634733448 383334895 /nfs/dbraw/zinc/33/48/95/383334895.db2.gz GBZLFCNOBINWLL-OAHLLOKOSA-N 2 0 298.434 2.740 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000634733239 383335481 /nfs/dbraw/zinc/33/54/81/383335481.db2.gz ARBYNBGDQYHOPL-HOCLYGCPSA-N 2 0 292.471 2.763 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000249381217 383342292 /nfs/dbraw/zinc/34/22/92/383342292.db2.gz RSDIAFMSNVDJII-ZIAGYGMSSA-N 2 0 262.397 2.688 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCC2 ZINC000248745764 383287615 /nfs/dbraw/zinc/28/76/15/383287615.db2.gz AYZVLUGPCHTFFJ-WFDRTZIDSA-N 2 0 278.440 2.549 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000567627472 383295908 /nfs/dbraw/zinc/29/59/08/383295908.db2.gz SEWDBUBPGRRMBL-NEPJUHHUSA-N 2 0 281.469 2.843 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000459734314 383295914 /nfs/dbraw/zinc/29/59/14/383295914.db2.gz GZJYBUSUVRKJRY-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP Cn1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(C(C)(C)C)n1 ZINC000459740436 383295952 /nfs/dbraw/zinc/29/59/52/383295952.db2.gz UHEGWOPMTVDSKU-CQSZACIVSA-N 2 0 292.471 2.539 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000248852398 383298852 /nfs/dbraw/zinc/29/88/52/383298852.db2.gz BQDLDQLNPOSTQA-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000248896751 383305383 /nfs/dbraw/zinc/30/53/83/383305383.db2.gz JVIUSJXCMZVBFQ-BZUAXINKSA-N 2 0 266.429 2.504 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CF)CC1 ZINC000449464760 383308740 /nfs/dbraw/zinc/30/87/40/383308740.db2.gz ZEWJHSWFBFOJCL-UHFFFAOYSA-N 2 0 288.370 2.757 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000567752754 383311404 /nfs/dbraw/zinc/31/14/04/383311404.db2.gz WWCZIZOXDNQFOO-GVDBMIGSSA-N 2 0 290.451 2.648 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000634682840 383311635 /nfs/dbraw/zinc/31/16/35/383311635.db2.gz CAOJYEFASYRSOJ-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1NCC[NH2+]C1CCCCCC1 ZINC000521993056 383319532 /nfs/dbraw/zinc/31/95/32/383319532.db2.gz WQYZXFZLRQXLSS-HZPDHXFCSA-N 2 0 267.461 2.548 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C[C@H]1C[NH3+] ZINC000634688064 383319751 /nfs/dbraw/zinc/31/97/51/383319751.db2.gz GYPVDKBFYCUWBD-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP c1cnc2cccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2c1 ZINC000634687788 383320098 /nfs/dbraw/zinc/32/00/98/383320098.db2.gz ZFCDCHWZOLLBKX-UHFFFAOYSA-N 2 0 281.403 2.951 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249086321 383325394 /nfs/dbraw/zinc/32/53/94/383325394.db2.gz NFRHYVZAFBLLRH-KCYZZUKISA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249086322 383325566 /nfs/dbraw/zinc/32/55/66/383325566.db2.gz NFRHYVZAFBLLRH-PNBKFKSVSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@]1(C)CCCO1 ZINC000340256917 383393464 /nfs/dbraw/zinc/39/34/64/383393464.db2.gz KGJINKODHOVREF-YOEHRIQHSA-N 2 0 280.456 2.941 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H](C)[C@@H]1OC ZINC000425953255 383393618 /nfs/dbraw/zinc/39/36/18/383393618.db2.gz RTGJSXBTZZWMML-XQLPTFJDSA-N 2 0 270.461 2.613 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000251780035 383396531 /nfs/dbraw/zinc/39/65/31/383396531.db2.gz MXHRIKCLAHELHV-ZWNOBZJWSA-N 2 0 288.313 2.754 20 0 CFADRP CN(C)Cc1cnc(CN2CCSC[C@@H]2C2CC2)s1 ZINC000449526990 383353251 /nfs/dbraw/zinc/35/32/51/383353251.db2.gz GHWZWDUBCUEOAI-CYBMUJFWSA-N 2 0 297.493 2.532 20 0 CFADRP C[C@H]1CCC[C@@](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)([NH+](C)C)C1 ZINC000249613656 383353392 /nfs/dbraw/zinc/35/33/92/383353392.db2.gz KUFLBGYNFLMDPR-XWDNEUNKSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H]1CCC[C@](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)([NH+](C)C)C1 ZINC000249613652 383353408 /nfs/dbraw/zinc/35/34/08/383353408.db2.gz KUFLBGYNFLMDPR-VGUREELVSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)([NH+](C)C)C1 ZINC000249615254 383354308 /nfs/dbraw/zinc/35/43/08/383354308.db2.gz XPSPDTMBVUWWQT-ZKXLYKBJSA-N 2 0 295.515 2.815 20 0 CFADRP Cc1[nH+]c2ccccc2c(N[C@H](C)C[C@H](C)[NH3+])c1C ZINC000568089218 383357548 /nfs/dbraw/zinc/35/75/48/383357548.db2.gz MMVMHZVOXIFDDB-WDEREUQCSA-N 2 0 257.381 2.811 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449761613 383364252 /nfs/dbraw/zinc/36/42/52/383364252.db2.gz ZGUMJKFINBUBGX-KLHDSHLOSA-N 2 0 266.429 2.551 20 0 CFADRP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1C ZINC000425323733 383368255 /nfs/dbraw/zinc/36/82/55/383368255.db2.gz LGZRATZKNQWSKX-CYBMUJFWSA-N 2 0 290.436 2.885 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)C1(C)C ZINC000568181503 383369602 /nfs/dbraw/zinc/36/96/02/383369602.db2.gz VDRZAQFVCLWXHQ-IAGOWNOFSA-N 2 0 290.451 2.567 20 0 CFADRP c1coc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250084834 383370306 /nfs/dbraw/zinc/37/03/06/383370306.db2.gz LBDDJZFTODPLAT-ARFHVFGLSA-N 2 0 262.397 2.723 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000250169993 383372140 /nfs/dbraw/zinc/37/21/40/383372140.db2.gz LMLKWTOTPJJLLX-MDZLAQPJSA-N 2 0 250.411 2.985 20 0 CFADRP Oc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000250235109 383373809 /nfs/dbraw/zinc/37/38/09/383373809.db2.gz DDMXUFJSFVQHLY-RCCFBDPRSA-N 2 0 288.435 2.835 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000425351614 383374300 /nfs/dbraw/zinc/37/43/00/383374300.db2.gz MDHWPILUJXELRN-SOUVJXGZSA-N 2 0 270.486 2.838 20 0 CFADRP c1ccc2c(c1)CCO[C@@H]2C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250540213 383377562 /nfs/dbraw/zinc/37/75/62/383377562.db2.gz VDJWAAGSQFFHKO-SOLBZPMBSA-N 2 0 286.419 2.517 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250595646 383377877 /nfs/dbraw/zinc/37/78/77/383377877.db2.gz NOOBIOBCIYACIJ-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000250773947 383380002 /nfs/dbraw/zinc/38/00/02/383380002.db2.gz XLXOKGGUGJUJRS-APHBMKBZSA-N 2 0 280.362 2.975 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)C1 ZINC000568247456 383381261 /nfs/dbraw/zinc/38/12/61/383381261.db2.gz MVAOYTVIJBVYGB-QWHCGFSZSA-N 2 0 280.362 2.856 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250969832 383383828 /nfs/dbraw/zinc/38/38/28/383383828.db2.gz DPYRQRSWFMTTAJ-XYPHTWIQSA-N 2 0 276.399 2.973 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000474734602 383384796 /nfs/dbraw/zinc/38/47/96/383384796.db2.gz UMSDUAJEOBFFRL-ROUUACIJSA-N 2 0 296.499 2.885 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCCOc3ccccc32)n1C ZINC000568648858 383423965 /nfs/dbraw/zinc/42/39/65/383423965.db2.gz LHUXAUVESXLPHY-OAHLLOKOSA-N 2 0 271.364 2.732 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000481406090 383427615 /nfs/dbraw/zinc/42/76/15/383427615.db2.gz OYDRRMHYSCFFIQ-WBVHZDCISA-N 2 0 260.425 2.776 20 0 CFADRP C[N@@H+]1CCC[C@H](CNCc2ccon2)[C@@H]1c1cccs1 ZINC000634963751 383427686 /nfs/dbraw/zinc/42/76/86/383427686.db2.gz CLYPCTCIYWDVHS-IUODEOHRSA-N 2 0 291.420 2.909 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000568713821 383428850 /nfs/dbraw/zinc/42/88/50/383428850.db2.gz DNAOBUWWSWFLRS-ZWKOTPCHSA-N 2 0 296.499 2.981 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634964815 383428876 /nfs/dbraw/zinc/42/88/76/383428876.db2.gz ODYNVLPYVZRDOM-UHFFFAOYSA-N 2 0 298.434 2.841 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cn[nH]c1 ZINC000340472637 383431310 /nfs/dbraw/zinc/43/13/10/383431310.db2.gz IQKSBACPMIXDTP-KGLIPLIRSA-N 2 0 264.417 2.572 20 0 CFADRP C[C@H](F)CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000340471295 383431477 /nfs/dbraw/zinc/43/14/77/383431477.db2.gz VQKRHMNNBNJEQM-IJEWVQPXSA-N 2 0 279.403 2.630 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473013 383432184 /nfs/dbraw/zinc/43/21/84/383432184.db2.gz JUSDGZBRNUDEDL-UONOGXRCSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccnc1 ZINC000340475549 383434383 /nfs/dbraw/zinc/43/43/83/383434383.db2.gz DCDTXRGLYANCLG-OAHLLOKOSA-N 2 0 261.413 2.998 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)no1 ZINC000340476052 383435988 /nfs/dbraw/zinc/43/59/88/383435988.db2.gz GNXZVQRRNOEWLQ-CQSZACIVSA-N 2 0 265.401 2.900 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340477548 383436010 /nfs/dbraw/zinc/43/60/10/383436010.db2.gz YLIHZLNPCUPTPV-ARFHVFGLSA-N 2 0 268.445 2.654 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252853141 383437315 /nfs/dbraw/zinc/43/73/15/383437315.db2.gz IZWAKQVVOPFNNB-YESZJQIVSA-N 2 0 258.409 2.808 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCCN1CC2CCC1(C[NH3+])CC2 ZINC000569239391 383481604 /nfs/dbraw/zinc/48/16/04/383481604.db2.gz XBODUJSAHZSMFE-KZYLPZIUSA-N 2 0 280.456 2.785 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc2nccnc2c1 ZINC000634983782 383442685 /nfs/dbraw/zinc/44/26/85/383442685.db2.gz YNHKSIHMMFAZCR-UHFFFAOYSA-N 2 0 286.423 2.840 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000428295860 383445048 /nfs/dbraw/zinc/44/50/48/383445048.db2.gz UIJWNSNCSFOHJZ-HNNXBMFYSA-N 2 0 290.455 2.900 20 0 CFADRP CN(Cc1cccc(Br)c1)CC12CC(C1)C[NH2+]2 ZINC000634991806 383446734 /nfs/dbraw/zinc/44/67/34/383446734.db2.gz RQGAAOPBNFAAAH-UHFFFAOYSA-N 2 0 295.224 2.633 20 0 CFADRP Fc1ccc(CN(CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000634991621 383447159 /nfs/dbraw/zinc/44/71/59/383447159.db2.gz LQTLFCXHZJSISN-UHFFFAOYSA-N 2 0 260.356 2.542 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995372 383450874 /nfs/dbraw/zinc/45/08/74/383450874.db2.gz CBUACYOVJKXVSH-ZDUSSCGKSA-N 2 0 284.407 2.548 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000340516534 383451907 /nfs/dbraw/zinc/45/19/07/383451907.db2.gz JODQYDHVUNBKMI-SJORKVTESA-N 2 0 292.471 2.762 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000634998658 383453675 /nfs/dbraw/zinc/45/36/75/383453675.db2.gz JDLDLSVHCAXERK-SJORKVTESA-N 3 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1C[NH3+] ZINC000634999270 383454973 /nfs/dbraw/zinc/45/49/73/383454973.db2.gz RVDMUHACKBWGIC-DGCLKSJQSA-N 2 0 260.406 2.928 20 0 CFADRP C[C@@]1(C[NH+]2CCC(Oc3ccccc3F)CC2)CC[NH2+]C1 ZINC000634999297 383455002 /nfs/dbraw/zinc/45/50/02/383455002.db2.gz SCXJULFQBJACLA-QGZVFWFLSA-N 2 0 292.398 2.669 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000484287878 383455448 /nfs/dbraw/zinc/45/54/48/383455448.db2.gz CYYLRJGWMFPWKU-VSZNYVQBSA-N 2 0 295.515 2.817 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000340521925 383456168 /nfs/dbraw/zinc/45/61/68/383456168.db2.gz XVERXQMYBOLIPG-AWEZNQCLSA-N 2 0 258.450 2.898 20 0 CFADRP Cc1noc(C2CCC([NH2+][C@H]3CC[C@H](C[NH3+])CC3)CC2)n1 ZINC000635003180 383459976 /nfs/dbraw/zinc/45/99/76/383459976.db2.gz AJWVCSJAMXQWKN-NZFPVTAUSA-N 2 0 292.427 2.511 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000635005076 383460639 /nfs/dbraw/zinc/46/06/39/383460639.db2.gz LUHYTRMMJFGCPO-YUSALJHKSA-N 2 0 253.415 2.620 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000635005238 383460793 /nfs/dbraw/zinc/46/07/93/383460793.db2.gz IHVXAOFROGQAEY-NOLJZWGESA-N 2 0 289.423 2.813 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000635004420 383461010 /nfs/dbraw/zinc/46/10/10/383461010.db2.gz DILNDUYYHIYKMF-HUUCEWRRSA-N 2 0 250.430 2.933 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635005700 383461655 /nfs/dbraw/zinc/46/16/55/383461655.db2.gz OUUALLGCCVBJDJ-IJLUTSLNSA-N 2 0 268.426 2.925 20 0 CFADRP c1cc(N2CC[NH2+]CC2)cc(NC2CCC3(CC3)CC2)[nH+]1 ZINC000635007201 383463054 /nfs/dbraw/zinc/46/30/54/383463054.db2.gz FGYJEEKGRQTLNE-UHFFFAOYSA-N 2 0 286.423 2.626 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000635006744 383463255 /nfs/dbraw/zinc/46/32/55/383463255.db2.gz NFLJFOJKELZLCJ-RAIGVLPGSA-N 2 0 267.442 2.928 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]CC2(F)CC2)C1 ZINC000527223014 383464263 /nfs/dbraw/zinc/46/42/63/383464263.db2.gz FUBYMSBHCNUIKJ-ZIAGYGMSSA-N 2 0 256.409 2.836 20 0 CFADRP [NH3+][C@H](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000635007430 383464350 /nfs/dbraw/zinc/46/43/50/383464350.db2.gz OIRNVYQUOBDZCT-LZQZEXGQSA-N 2 0 295.430 2.681 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cncc(F)c1 ZINC000635007818 383464407 /nfs/dbraw/zinc/46/44/07/383464407.db2.gz PKLQDWLEMIAGRQ-GUYCJALGSA-N 2 0 287.382 2.831 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008082 383464741 /nfs/dbraw/zinc/46/47/41/383464741.db2.gz ZBIUPEJLFYNGPG-YHUYYLMFSA-N 2 0 290.455 2.553 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccoc1 ZINC000635008895 383465923 /nfs/dbraw/zinc/46/59/23/383465923.db2.gz HOHCOOBFEIDGAW-GFCCVEGCSA-N 2 0 256.349 2.776 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCSCC1 ZINC000635010659 383467375 /nfs/dbraw/zinc/46/73/75/383467375.db2.gz KWVOJFNEIYELQO-OCCSQVGLSA-N 2 0 270.486 2.886 20 0 CFADRP CC(C)C1CC([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635012483 383467778 /nfs/dbraw/zinc/46/77/78/383467778.db2.gz VEKXTDZMKLUYNV-UHFFFAOYSA-N 2 0 258.409 2.857 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cncc(F)c1 ZINC000635013598 383469492 /nfs/dbraw/zinc/46/94/92/383469492.db2.gz ZMZBBDROXAGAPA-RISCZKNCSA-N 2 0 265.376 2.650 20 0 CFADRP c1cnc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000635020873 383473546 /nfs/dbraw/zinc/47/35/46/383473546.db2.gz NAYCCGWIYFROCZ-XYPWUTKMSA-N 2 0 267.376 2.607 20 0 CFADRP C[N@H+](C/C=C\c1ccccc1)CC1CC[NH+](C)CC1 ZINC000255133668 383476195 /nfs/dbraw/zinc/47/61/95/383476195.db2.gz MTQQQEYWRZXKJO-TWGQIWQCSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC1(C)C ZINC000487270052 383478415 /nfs/dbraw/zinc/47/84/15/383478415.db2.gz OZJHEPGSDRUMAE-RKTXRCNFSA-N 2 0 294.483 2.779 20 0 CFADRP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000261716735 383547995 /nfs/dbraw/zinc/54/79/95/383547995.db2.gz FGRKLRXELBCSHK-GJZGRUSLSA-N 2 0 280.460 2.506 20 0 CFADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429579938 383549511 /nfs/dbraw/zinc/54/95/11/383549511.db2.gz NOEZOQHHVOVVSZ-SWLSCSKDSA-N 2 0 275.396 2.519 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000428572920 383492551 /nfs/dbraw/zinc/49/25/51/383492551.db2.gz LHDAPBQZSDCXME-OKILXGFUSA-N 2 0 289.423 2.607 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCN1CCOC ZINC000569438148 383499417 /nfs/dbraw/zinc/49/94/17/383499417.db2.gz NGWROJRUXAXTCE-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429288372 383511662 /nfs/dbraw/zinc/51/16/62/383511662.db2.gz AHKPDUQPLPUMGC-CQSZACIVSA-N 2 0 258.475 2.793 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261561053 383512552 /nfs/dbraw/zinc/51/25/52/383512552.db2.gz UZPJFGZRDKBMOO-AWEZNQCLSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000261562254 383512607 /nfs/dbraw/zinc/51/26/07/383512607.db2.gz BERCZUCBVPZROK-JTQLQIEISA-N 2 0 285.229 2.707 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)C[C@@H]1OC ZINC000429310105 383517080 /nfs/dbraw/zinc/51/70/80/383517080.db2.gz WHBVKDFOHPHXSZ-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000261590976 383522557 /nfs/dbraw/zinc/52/25/57/383522557.db2.gz UYAASEQTTGXLRC-ZWNOBZJWSA-N 2 0 283.213 2.537 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261595828 383525798 /nfs/dbraw/zinc/52/57/98/383525798.db2.gz OKWOYJFGSWAIGY-JKSUJKDBSA-N 2 0 262.372 2.962 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000429412385 383529112 /nfs/dbraw/zinc/52/91/12/383529112.db2.gz MNRMTCWYICRXSC-KKUMJFAQSA-N 2 0 268.445 2.797 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000261622595 383531190 /nfs/dbraw/zinc/53/11/90/383531190.db2.gz UYAGHQXLJBAJQJ-RDJZCZTQSA-N 2 0 258.409 2.653 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000261651670 383536464 /nfs/dbraw/zinc/53/64/64/383536464.db2.gz YITSUEHKGLEARG-SUMWQHHRSA-N 2 0 254.377 2.927 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2n1 ZINC000261750318 383552365 /nfs/dbraw/zinc/55/23/65/383552365.db2.gz TUOFWDVTLLDAMP-IAGOWNOFSA-N 2 0 281.403 2.585 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261888422 383575215 /nfs/dbraw/zinc/57/52/15/383575215.db2.gz SLTPLKXQAREIRY-NXHRZFHOSA-N 2 0 272.436 2.939 20 0 CFADRP Fc1ccccc1[C@]1(F)CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261899016 383576547 /nfs/dbraw/zinc/57/65/47/383576547.db2.gz YHUHQRGPBZSURF-INIZCTEOSA-N 2 0 280.362 2.696 20 0 CFADRP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430918260 383611230 /nfs/dbraw/zinc/61/12/30/383611230.db2.gz MGHOIBWLIZZTMI-CQSZACIVSA-N 2 0 276.424 2.644 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccncc2C)C[C@H]1C ZINC000570206957 383581962 /nfs/dbraw/zinc/58/19/62/383581962.db2.gz XDZDKOBYQXDFNB-WBVHZDCISA-N 2 0 275.440 2.737 20 0 CFADRP [NH3+]CCN(CCc1ccccc1)Cc1ccsc1 ZINC000261939801 383583109 /nfs/dbraw/zinc/58/31/09/383583109.db2.gz DNBATKZUOLUKFN-UHFFFAOYSA-N 2 0 260.406 2.752 20 0 CFADRP C[C@@]1(CN2CC[C@](F)(c3ccccc3F)C2)CC[NH2+]C1 ZINC000261952942 383585698 /nfs/dbraw/zinc/58/56/98/383585698.db2.gz GFMWLKRJIYLXAF-HZPDHXFCSA-N 2 0 280.362 2.696 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC[NH2+]C1 ZINC000261958385 383586916 /nfs/dbraw/zinc/58/69/16/383586916.db2.gz GWRHRBXAEQJLPC-QZTJIDSGSA-N 2 0 288.435 2.525 20 0 CFADRP COc1cc(CN(C)C[C@@]2(C)CC[NH2+]C2)ccc1SC ZINC000261991628 383591102 /nfs/dbraw/zinc/59/11/02/383591102.db2.gz KHPRGVDLYFVENX-INIZCTEOSA-N 2 0 294.464 2.849 20 0 CFADRP c1nc(C2CC2)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000262000843 383592077 /nfs/dbraw/zinc/59/20/77/383592077.db2.gz UBBGKFJNJBOJEC-CQSZACIVSA-N 2 0 291.464 2.985 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261999407 383592294 /nfs/dbraw/zinc/59/22/94/383592294.db2.gz LELGIFOLRHFUSJ-OIISXLGYSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261999400 383592574 /nfs/dbraw/zinc/59/25/74/383592574.db2.gz LELGIFOLRHFUSJ-DJIMGWMZSA-N 2 0 258.409 2.864 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000262000946 383592876 /nfs/dbraw/zinc/59/28/76/383592876.db2.gz UCYISLASDNXCEQ-KBPBESRZSA-N 2 0 264.388 2.861 20 0 CFADRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262007944 383593436 /nfs/dbraw/zinc/59/34/36/383593436.db2.gz UVAGURVYQDYXAB-XHSDSOJGSA-N 2 0 274.408 2.563 20 0 CFADRP C[C@H](C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(F)cc1 ZINC000262013852 383594907 /nfs/dbraw/zinc/59/49/07/383594907.db2.gz VJYWOIJVPZGVOL-JHJVBQTASA-N 2 0 250.361 2.598 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262051651 383601357 /nfs/dbraw/zinc/60/13/57/383601357.db2.gz ZQLOSXMKECZKSW-YOEHRIQHSA-N 2 0 258.409 2.823 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262131880 383607743 /nfs/dbraw/zinc/60/77/43/383607743.db2.gz YGOOUKDKNAGKLA-SJLPKXTDSA-N 2 0 288.435 2.702 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261758875 383553482 /nfs/dbraw/zinc/55/34/82/383553482.db2.gz CTRQEVCDHGXXIB-OLZOCXBDSA-N 2 0 266.816 2.985 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000261758874 383553899 /nfs/dbraw/zinc/55/38/99/383553899.db2.gz CTRQEVCDHGXXIB-CHWSQXEVSA-N 2 0 266.816 2.985 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(-c2cnn(C)c2)c1 ZINC000261762658 383555105 /nfs/dbraw/zinc/55/51/05/383555105.db2.gz DBTLTZALRUCBSE-HUUCEWRRSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCOCC(F)(F)F ZINC000570035604 383563015 /nfs/dbraw/zinc/56/30/15/383563015.db2.gz LUKBQFRJUZGGHN-OLZOCXBDSA-N 2 0 296.377 2.856 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CCCN1C ZINC000488582544 383563429 /nfs/dbraw/zinc/56/34/29/383563429.db2.gz NUVWVOCUMJANRU-SYQHCUMBSA-N 2 0 270.486 2.979 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000262170073 383610662 /nfs/dbraw/zinc/61/06/62/383610662.db2.gz UZVDQDQDGZUSAH-LBPRGKRZSA-N 2 0 282.815 2.909 20 0 CFADRP FC(F)(F)c1cccc(CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261811668 383564730 /nfs/dbraw/zinc/56/47/30/383564730.db2.gz SJHCUFTXXBKZEE-AWEZNQCLSA-N 2 0 284.325 2.891 20 0 CFADRP CCCc1csc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000261807648 383564973 /nfs/dbraw/zinc/56/49/73/383564973.db2.gz HMWVLGKUEPAIDO-NWDGAFQWSA-N 2 0 267.442 2.655 20 0 CFADRP C[C@@]1(c2ccccc2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261831606 383567291 /nfs/dbraw/zinc/56/72/91/383567291.db2.gz JCZRJCHYZAESRR-DOTOQJQBSA-N 2 0 258.409 2.650 20 0 CFADRP CN(Cc1scnc1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261829703 383567639 /nfs/dbraw/zinc/56/76/39/383567639.db2.gz JAGFHKKRXUYJTE-FUNVUKJBSA-N 2 0 277.437 2.735 20 0 CFADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CC[NH2+]3)n2)c1 ZINC000261844345 383570411 /nfs/dbraw/zinc/57/04/11/383570411.db2.gz SGHISSIUIJMTIE-OAHLLOKOSA-N 2 0 298.390 2.757 20 0 CFADRP c1ccc2c(c1)cccc2C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261863542 383571585 /nfs/dbraw/zinc/57/15/85/383571585.db2.gz YDGDDTYALNPKFP-WBVHZDCISA-N 2 0 266.388 2.881 20 0 CFADRP C(CNC1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCCC1 ZINC000570595556 383617068 /nfs/dbraw/zinc/61/70/68/383617068.db2.gz VVYFRNDMDFYHNJ-UHFFFAOYSA-N 2 0 293.499 2.859 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000262372282 383618503 /nfs/dbraw/zinc/61/85/03/383618503.db2.gz XNZNOKQJPOCAPG-DJIMGWMZSA-N 2 0 297.402 2.901 20 0 CFADRP CC1(C[NH2+]Cc2ccnc3ccccc23)CC[NH2+]CC1 ZINC000570615356 383619272 /nfs/dbraw/zinc/61/92/72/383619272.db2.gz FOUSUADBZXJOHW-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP COc1ccc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2c1 ZINC000262416844 383619745 /nfs/dbraw/zinc/61/97/45/383619745.db2.gz DRJFFQSAIAEKKV-ZWKOTPCHSA-N 2 0 296.414 2.890 20 0 CFADRP Fc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000570663897 383623446 /nfs/dbraw/zinc/62/34/46/383623446.db2.gz PTDZPNLPZGVCCU-ZDUSSCGKSA-N 2 0 254.324 2.587 20 0 CFADRP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000572056302 383750630 /nfs/dbraw/zinc/75/06/30/383750630.db2.gz WXTHRDIMCOFMTG-HZPDHXFCSA-N 2 0 276.424 2.884 20 0 CFADRP CCc1ccccc1[C@H](N)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000572112151 383755505 /nfs/dbraw/zinc/75/55/05/383755505.db2.gz KNOPHXWJUSIRHS-SJORKVTESA-N 2 0 298.434 2.650 20 0 CFADRP Cc1cnccc1CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000645808579 383755671 /nfs/dbraw/zinc/75/56/71/383755671.db2.gz YIUVLFOTSBLQAT-KRWDZBQOSA-N 2 0 275.440 2.739 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)C(C)(C)C ZINC000572393809 383779496 /nfs/dbraw/zinc/77/94/96/383779496.db2.gz YXYMUTHESALMNH-IAGOWNOFSA-N 2 0 292.467 2.546 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)C(C)(C)C ZINC000572393808 383779594 /nfs/dbraw/zinc/77/95/94/383779594.db2.gz YXYMUTHESALMNH-DLBZAZTESA-N 2 0 292.467 2.546 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453106827 383767898 /nfs/dbraw/zinc/76/78/98/383767898.db2.gz FOLMNKFAEHJSHK-KSSFIOAISA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000453106875 383767972 /nfs/dbraw/zinc/76/79/72/383767972.db2.gz JIKMLVQDOTWWOY-RRFJBIMHSA-N 2 0 276.428 2.599 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)C1CCC1 ZINC000453107235 383768279 /nfs/dbraw/zinc/76/82/79/383768279.db2.gz KVWVVXPXGIHRQI-WMZOPIPTSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000453134490 383779890 /nfs/dbraw/zinc/77/98/90/383779890.db2.gz IRZCAAGMDZPRGP-RKVPGOIHSA-N 2 0 287.451 2.865 20 0 CFADRP c1cn2c(n1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CC2 ZINC000453108629 383769459 /nfs/dbraw/zinc/76/94/59/383769459.db2.gz AGRSVVSNPQAHDE-HNNXBMFYSA-N 2 0 276.428 2.574 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCn3ccnc32)CC1 ZINC000453128371 383776836 /nfs/dbraw/zinc/77/68/36/383776836.db2.gz MFNCVSSYWHKYLK-INIZCTEOSA-N 2 0 290.455 2.676 20 0 CFADRP C[C@@H](Nc1nc2ccc(F)cc2n1C)C(C)(C)C[NH+](C)C ZINC000431419123 383670426 /nfs/dbraw/zinc/67/04/26/383670426.db2.gz FXAVDBUNRAUKMJ-LLVKDONJSA-N 2 0 292.402 2.523 20 0 CFADRP CC[NH+](CC)CCCN1CCC(CC)([NH+](C)C)CC1 ZINC000640016212 383672571 /nfs/dbraw/zinc/67/25/71/383672571.db2.gz WCTOOPYGMPXQRK-UHFFFAOYSA-N 2 0 269.477 2.525 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000640018529 383674115 /nfs/dbraw/zinc/67/41/15/383674115.db2.gz ZFKXBSZURSVSCQ-UHFFFAOYSA-N 2 0 296.377 2.762 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000453215743 383804365 /nfs/dbraw/zinc/80/43/65/383804365.db2.gz GSTKISWPDMEIRX-FMKPAKJESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](c1cccnc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000264976978 383809896 /nfs/dbraw/zinc/80/98/96/383809896.db2.gz JRARMABPDVOMIL-AWEZNQCLSA-N 2 0 261.413 2.806 20 0 CFADRP Cc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640532057 383818302 /nfs/dbraw/zinc/81/83/02/383818302.db2.gz UVXNEDZJQDDYMD-UHFFFAOYSA-N 2 0 265.401 2.681 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1COC(C)(C)C1 ZINC000640534067 383819484 /nfs/dbraw/zinc/81/94/84/383819484.db2.gz KJPAZOYDYMVJJW-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1C ZINC000436482128 383822447 /nfs/dbraw/zinc/82/24/47/383822447.db2.gz GXFRRWLNWWBMCP-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP C[N@@H+]1CC[C@@]2(CCN(CCc3c(F)cccc3F)C2)C1 ZINC000645922301 383794774 /nfs/dbraw/zinc/79/47/74/383794774.db2.gz OJXDTZLZRKMUBC-MRXNPFEDSA-N 2 0 280.362 2.535 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436270143 383797043 /nfs/dbraw/zinc/79/70/43/383797043.db2.gz MXOJCTXQTCWOPI-UHFFFAOYSA-N 2 0 290.436 2.712 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436289368 383800228 /nfs/dbraw/zinc/80/02/28/383800228.db2.gz HYRSPCOMRWPTED-BPQIPLTHSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453316229 383842143 /nfs/dbraw/zinc/84/21/43/383842143.db2.gz JUQITGYYGUDGBE-WCVJEAGWSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCc2ccccc2OC1)C1CC1 ZINC000453390165 383850569 /nfs/dbraw/zinc/85/05/69/383850569.db2.gz CZKMPSBDVIRHNV-MRXNPFEDSA-N 2 0 288.435 2.844 20 0 CFADRP CCc1ccc(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000265209115 383860550 /nfs/dbraw/zinc/86/05/50/383860550.db2.gz LMAFJMUWXXJSTD-QGZVFWFLSA-N 2 0 260.425 2.675 20 0 CFADRP COc1cccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453594949 383865211 /nfs/dbraw/zinc/86/52/11/383865211.db2.gz ITTSPNQCEOXQQC-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[N@H+](CCCC[NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000453597871 383867267 /nfs/dbraw/zinc/86/72/67/383867267.db2.gz ONOQPRHIXYMXOI-SNAWJCMRSA-N 2 0 259.397 2.559 20 0 CFADRP COc1ccsc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453601670 383870232 /nfs/dbraw/zinc/87/02/32/383870232.db2.gz VDAVLLCCQYFQSW-UHFFFAOYSA-N 2 0 268.426 2.721 20 0 CFADRP C[C@H]1CCC[C@H](CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000646104318 383873326 /nfs/dbraw/zinc/87/33/26/383873326.db2.gz AADAKBHDLVXJPS-DLBZAZTESA-N 2 0 294.483 2.999 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CC1CCC(C)(C)CC1)CCO2 ZINC000646106309 383874569 /nfs/dbraw/zinc/87/45/69/383874569.db2.gz UDEYAZYOZJDJIQ-UHFFFAOYSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)CCCN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000572896331 383833992 /nfs/dbraw/zinc/83/39/92/383833992.db2.gz NHQMOXDNSADDEN-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CSc1cccc(F)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000423098705 533017733 /nfs/dbraw/zinc/01/77/33/533017733.db2.gz DJJXFPJMLZZTSB-SNVBAGLBSA-N 2 0 256.390 2.765 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573439190 383928821 /nfs/dbraw/zinc/92/88/21/383928821.db2.gz KWUQSTZUUYFCJE-IMJJTQAJSA-N 2 0 282.472 2.779 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423135366 533019420 /nfs/dbraw/zinc/01/94/20/533019420.db2.gz TVHSKVMPXDZZFY-HNNXBMFYSA-N 2 0 280.387 2.547 20 0 CFADRP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000532206078 383991710 /nfs/dbraw/zinc/99/17/10/383991710.db2.gz YGTZEFRCPXPMCO-UKRRQHHQSA-N 2 0 296.842 2.957 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000573474117 383936990 /nfs/dbraw/zinc/93/69/90/383936990.db2.gz NXDGRSKJWNTJQQ-AWEZNQCLSA-N 2 0 284.407 2.523 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)N1CCC[C@H](C)C1)C1CCOCC1 ZINC000531937496 383944032 /nfs/dbraw/zinc/94/40/32/383944032.db2.gz FUHUKCDULPFZPI-ZOBUZTSGSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000531944526 383946084 /nfs/dbraw/zinc/94/60/84/383946084.db2.gz VLAVKZAFESVDDJ-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCCOc2ccccc2)CC1 ZINC000438177622 383964089 /nfs/dbraw/zinc/96/40/89/383964089.db2.gz MXYBIPWQOBIQPW-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000573951020 384020244 /nfs/dbraw/zinc/02/02/44/384020244.db2.gz NKHJPLNOIBBVOO-OAHLLOKOSA-N 2 0 250.386 2.736 20 0 CFADRP CCc1ncc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)o1 ZINC000574188376 384058731 /nfs/dbraw/zinc/05/87/31/384058731.db2.gz GXAOLZRECYBBSM-RRFJBIMHSA-N 2 0 277.412 2.637 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000574307589 384077907 /nfs/dbraw/zinc/07/79/07/384077907.db2.gz MVUMPKLQKKTIMV-CQSZACIVSA-N 2 0 284.407 2.523 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000266221066 384120063 /nfs/dbraw/zinc/12/00/63/384120063.db2.gz QGSLIHPUXIGZSH-ZDUSSCGKSA-N 2 0 274.412 2.522 20 0 CFADRP CC[C@H](F)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000440701186 384125245 /nfs/dbraw/zinc/12/52/45/384125245.db2.gz JLBBMPZFLZDRRJ-DZKIICNBSA-N 2 0 286.435 2.556 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000574844910 384153166 /nfs/dbraw/zinc/15/31/66/384153166.db2.gz PTTVIFRZQNQJQA-XHSDSOJGSA-N 2 0 296.455 2.572 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(-n3cccn3)c2)CC1 ZINC000574863647 384155160 /nfs/dbraw/zinc/15/51/60/384155160.db2.gz AVURFMSFWXDRDD-UHFFFAOYSA-N 2 0 298.434 2.835 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000574911166 384162189 /nfs/dbraw/zinc/16/21/89/384162189.db2.gz KHQVXXPZOACGHD-GTFHMKOESA-N 2 0 299.418 2.566 20 0 CFADRP C[NH+](C)C1(CNc2cc(C(C)(C)C)ccn2)CCOCC1 ZINC000641377566 384179251 /nfs/dbraw/zinc/17/92/51/384179251.db2.gz XFNOHKQVIVPUMW-UHFFFAOYSA-N 2 0 291.439 2.902 20 0 CFADRP COC1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422842897 533041713 /nfs/dbraw/zinc/04/17/13/533041713.db2.gz ZLYSGWJKRUYCAK-KUQKPQIMSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000266761215 384235101 /nfs/dbraw/zinc/23/51/01/384235101.db2.gz GQLXZWNRNSSTQK-WBVHZDCISA-N 2 0 276.424 2.574 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000266627444 384210348 /nfs/dbraw/zinc/21/03/48/384210348.db2.gz ODKGCACCCBSBNB-QGZVFWFLSA-N 2 0 260.425 2.893 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000266627442 384210842 /nfs/dbraw/zinc/21/08/42/384210842.db2.gz ODKGCACCCBSBNB-KRWDZBQOSA-N 2 0 260.425 2.893 20 0 CFADRP CC(C)c1noc([C@H](C)N2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000266891492 384255391 /nfs/dbraw/zinc/25/53/91/384255391.db2.gz CVAKBYMSDHWXIY-RYUDHWBXSA-N 2 0 289.383 2.857 20 0 CFADRP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000267162000 384312381 /nfs/dbraw/zinc/31/23/81/384312381.db2.gz ABFIPTCVDVHQFU-HNNXBMFYSA-N 2 0 297.402 2.536 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000641720875 384292577 /nfs/dbraw/zinc/29/25/77/384292577.db2.gz VNCKUJLXTFNMHH-IKGGRYGDSA-N 2 0 282.472 2.782 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCOc1ccc(Cl)cc1 ZINC000641805406 384373358 /nfs/dbraw/zinc/37/33/58/384373358.db2.gz NUGNGAVSJQPYNR-ZIAGYGMSSA-N 2 0 282.815 2.824 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOc1ccc2ccccc2c1 ZINC000641805871 384373381 /nfs/dbraw/zinc/37/33/81/384373381.db2.gz PBCFPSBXXVFSKY-SJORKVTESA-N 2 0 284.403 2.934 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)OC ZINC000637999841 384342328 /nfs/dbraw/zinc/34/23/28/384342328.db2.gz PCHFOJFMICZZOZ-DZGCQCFKSA-N 2 0 256.434 2.510 20 0 CFADRP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1 ZINC000277621745 384356669 /nfs/dbraw/zinc/35/66/69/384356669.db2.gz XDRCPMBSZNNIOO-CYBMUJFWSA-N 2 0 252.427 2.973 20 0 CFADRP CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[NH2+]CC1 ZINC000641797316 384363001 /nfs/dbraw/zinc/36/30/01/384363001.db2.gz ARJPOTBXIHIGQG-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641798099 384365351 /nfs/dbraw/zinc/36/53/51/384365351.db2.gz HHWUYQRXHZOJBD-IXDOHACOSA-N 2 0 292.467 2.800 20 0 CFADRP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423330467 533057410 /nfs/dbraw/zinc/05/74/10/533057410.db2.gz FZVVZDSKQIKUBF-VXGBXAGGSA-N 2 0 250.411 2.669 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000641799808 384366578 /nfs/dbraw/zinc/36/65/78/384366578.db2.gz ZSRWACLCBHOXAS-WFASDCNBSA-N 2 0 285.391 2.819 20 0 CFADRP Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(F)c1 ZINC000638029120 384369091 /nfs/dbraw/zinc/36/90/91/384369091.db2.gz MANNIVZBYYQXSH-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2ccc(F)cc2Cl)C[C@@H]1[NH3+] ZINC000641803006 384371866 /nfs/dbraw/zinc/37/18/66/384371866.db2.gz QSWIRFRXJNPIPF-QWHCGFSZSA-N 2 0 286.778 2.573 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)OC ZINC000638111469 384424777 /nfs/dbraw/zinc/42/47/77/384424777.db2.gz FJGGIFPOHSEYPC-JONQDZQNSA-N 2 0 270.461 2.710 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000641810216 384375663 /nfs/dbraw/zinc/37/56/63/384375663.db2.gz ZQKKPGRMUZAWKU-VXGBXAGGSA-N 2 0 270.323 2.503 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000641818039 384379050 /nfs/dbraw/zinc/37/90/50/384379050.db2.gz CCOMLUMAFFQQOH-HNNXBMFYSA-N 2 0 291.439 2.757 20 0 CFADRP CC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000638066701 384389131 /nfs/dbraw/zinc/38/91/31/384389131.db2.gz LFTPMQPRDOUESO-CQSZACIVSA-N 2 0 289.423 2.609 20 0 CFADRP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000638068092 384390212 /nfs/dbraw/zinc/39/02/12/384390212.db2.gz UZRNTGIQYTVRLL-HOTGVXAUSA-N 2 0 297.487 2.521 20 0 CFADRP COc1cncc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000638118410 384431040 /nfs/dbraw/zinc/43/10/40/384431040.db2.gz UFVCOCLWQXCTLR-INIZCTEOSA-N 2 0 291.439 2.705 20 0 CFADRP C([C@@H]1CC[N@@H+](CC2CCSCC2)C1)[NH+]1CCCCC1 ZINC000638123728 384436179 /nfs/dbraw/zinc/43/61/79/384436179.db2.gz RHKDYUSTGRRJHD-INIZCTEOSA-N 2 0 282.497 2.937 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)OC ZINC000638124279 384437421 /nfs/dbraw/zinc/43/74/21/384437421.db2.gz VHWALFMZQRCYST-ARFHVFGLSA-N 2 0 270.461 2.711 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccns2)CC1 ZINC000638124211 384437815 /nfs/dbraw/zinc/43/78/15/384437815.db2.gz YUTZMKVKVZCBTD-UHFFFAOYSA-N 2 0 267.442 2.697 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]C/C=C/c2ccccc2)CCCO1 ZINC000278071059 384470544 /nfs/dbraw/zinc/47/05/44/384470544.db2.gz ZIXQJJGZOONQSI-HQWZXOHUSA-N 2 0 288.435 2.790 20 0 CFADRP C(C[C@@H]1CCO1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638177628 384471271 /nfs/dbraw/zinc/47/12/71/384471271.db2.gz DDRMJTHRXMQXRV-DJIMGWMZSA-N 2 0 278.440 2.504 20 0 CFADRP CCC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000638178136 384471567 /nfs/dbraw/zinc/47/15/67/384471567.db2.gz FYOQFVXLMZXECI-DJIMGWMZSA-N 2 0 280.456 2.750 20 0 CFADRP Cc1cccc2c(NC3CCC([NH3+])CC3)c(C)c[nH+]c12 ZINC000642998833 384473640 /nfs/dbraw/zinc/47/36/40/384473640.db2.gz QVJADBLSCGPGCN-UHFFFAOYSA-N 2 0 269.392 2.955 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)CC[C@@H]21 ZINC000638181882 384475488 /nfs/dbraw/zinc/47/54/88/384475488.db2.gz ZDMCXEIWILNEDS-QAPCUYQASA-N 2 0 296.418 2.546 20 0 CFADRP CCCc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000643017568 384476241 /nfs/dbraw/zinc/47/62/41/384476241.db2.gz LFVFMVKTGZPPGJ-SCLBCKFNSA-N 2 0 299.418 2.740 20 0 CFADRP CCCc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000643017566 384476956 /nfs/dbraw/zinc/47/69/56/384476956.db2.gz LFVFMVKTGZPPGJ-ACJLOTCBSA-N 2 0 299.418 2.740 20 0 CFADRP Cc1cc(CNc2nccc(N3CCCC3)n2)cc(C)n1 ZINC000643191203 384505977 /nfs/dbraw/zinc/50/59/77/384505977.db2.gz KKXCCYJXJHLTAX-UHFFFAOYSA-N 2 0 283.379 2.701 20 0 CFADRP c1ccc(O[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000643057200 384487585 /nfs/dbraw/zinc/48/75/85/384487585.db2.gz YQVULQGFMZNWSU-AEFFLSMTSA-N 2 0 288.435 2.920 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNCc1cc(C2CC2)no1 ZINC000638303203 384543626 /nfs/dbraw/zinc/54/36/26/384543626.db2.gz OTVAQZGSKGJLGV-CYBMUJFWSA-N 2 0 277.412 2.906 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CC1(F)F ZINC000638305527 384545061 /nfs/dbraw/zinc/54/50/61/384545061.db2.gz AKYZQCTYVOXPED-STQMWFEESA-N 2 0 260.372 2.742 20 0 CFADRP Cn1c(C[NH2+]C2CCN(C3CC3)CC2)cc2ccccc21 ZINC000638320920 384556446 /nfs/dbraw/zinc/55/64/46/384556446.db2.gz BJBYUFCXTUAEKQ-UHFFFAOYSA-N 2 0 283.419 2.895 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638298587 384539493 /nfs/dbraw/zinc/53/94/93/384539493.db2.gz UJDDLFKHAMDZFN-OAHLLOKOSA-N 2 0 290.451 2.615 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000643287201 384540731 /nfs/dbraw/zinc/54/07/31/384540731.db2.gz BHJQCLNWOXJFLP-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP CN(C)[C@H](C[NH2+]CCC1CCOCC1)Cc1ccccc1 ZINC000638300944 384540988 /nfs/dbraw/zinc/54/09/88/384540988.db2.gz LJAPXMKXRDVPSH-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000638359461 384581774 /nfs/dbraw/zinc/58/17/74/384581774.db2.gz QRLYSDLWGFZEDN-INIZCTEOSA-N 2 0 258.409 2.611 20 0 CFADRP Cn1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc21 ZINC000638359395 384581888 /nfs/dbraw/zinc/58/18/88/384581888.db2.gz PFNACJNCWCHIBX-CQSZACIVSA-N 2 0 283.419 2.752 20 0 CFADRP CC(C)[C@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCC(C)CC1 ZINC000638361320 384584962 /nfs/dbraw/zinc/58/49/62/384584962.db2.gz MHLPHIWEJJEPNG-IRXDYDNUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCC(C)CC1 ZINC000638361319 384585206 /nfs/dbraw/zinc/58/52/06/384585206.db2.gz MHLPHIWEJJEPNG-IAGOWNOFSA-N 2 0 282.472 2.902 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000638362606 384587050 /nfs/dbraw/zinc/58/70/50/384587050.db2.gz CCFHDAAEAXYEMF-QRNKSROTSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@](C)(C[NH2+]Cc1cccc(OCC[NH+](C)C)c1)OC ZINC000638380778 384607997 /nfs/dbraw/zinc/60/79/97/384607997.db2.gz DTEZRIRTTNIUKO-QGZVFWFLSA-N 2 0 294.439 2.532 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000638391741 384617335 /nfs/dbraw/zinc/61/73/35/384617335.db2.gz SOZFUHVIPWXKKE-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638366272 384592613 /nfs/dbraw/zinc/59/26/13/384592613.db2.gz MMJAAQVXDBWEKI-INIZCTEOSA-N 2 0 290.451 2.781 20 0 CFADRP CO[C@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000638366585 384592761 /nfs/dbraw/zinc/59/27/61/384592761.db2.gz OZXGPWSOZRFYEV-NVXWUHKLSA-N 2 0 282.472 2.903 20 0 CFADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)sn1 ZINC000638367463 384592989 /nfs/dbraw/zinc/59/29/89/384592989.db2.gz VPPNWNRSDDLFFA-ZDUSSCGKSA-N 2 0 297.468 2.896 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638366307 384593390 /nfs/dbraw/zinc/59/33/90/384593390.db2.gz NHCRBPXVURVXTA-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccns2)C1 ZINC000638369326 384595291 /nfs/dbraw/zinc/59/52/91/384595291.db2.gz GAOQFLYUYKNVIU-ZIAGYGMSSA-N 2 0 281.469 2.991 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638369924 384596291 /nfs/dbraw/zinc/59/62/91/384596291.db2.gz JMXKGIMNOXUBMO-IXDOHACOSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH3+])CC1)CCCO2 ZINC000643503649 384673046 /nfs/dbraw/zinc/67/30/46/384673046.db2.gz RPPOBDICZOOAOA-SEEARECTSA-N 2 0 290.407 2.768 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]C1CCC([NH3+])CC1 ZINC000643503523 384673176 /nfs/dbraw/zinc/67/31/76/384673176.db2.gz PHRYZPHCBRTOGW-CPCZMJQVSA-N 2 0 252.427 2.929 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000643503569 384673382 /nfs/dbraw/zinc/67/33/82/384673382.db2.gz BRVFVEIDDSGVAT-YJNKEBTESA-N 2 0 273.424 2.967 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000643503677 384673544 /nfs/dbraw/zinc/67/35/44/384673544.db2.gz YSYYRTYZMHXMOP-SEEARECTSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C1CCC([NH3+])CC1 ZINC000643503574 384673697 /nfs/dbraw/zinc/67/36/97/384673697.db2.gz DDUCUFCQXFRPCL-HSBZDZAISA-N 2 0 286.423 2.744 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000638412387 384634765 /nfs/dbraw/zinc/63/47/65/384634765.db2.gz OWAMRRGRDHXQIS-BBWFWOEESA-N 2 0 280.456 2.558 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643457468 384637413 /nfs/dbraw/zinc/63/74/13/384637413.db2.gz FAUNZRHDCAAVLX-YIONKMFJSA-N 2 0 288.435 2.845 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638423074 384642014 /nfs/dbraw/zinc/64/20/14/384642014.db2.gz NNXIVDVSJWDWDB-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000643464512 384644873 /nfs/dbraw/zinc/64/48/73/384644873.db2.gz LSQTXAMABGEWGH-RDJZCZTQSA-N 2 0 275.440 2.833 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462853 384644983 /nfs/dbraw/zinc/64/49/83/384644983.db2.gz NAFJGIBPUIEOAM-OCCSQVGLSA-N 2 0 297.393 2.651 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000643465946 384645104 /nfs/dbraw/zinc/64/51/04/384645104.db2.gz BKZOCZPHYJYQJE-MRVPVSSYSA-N 2 0 278.293 2.850 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1COc2c1cccc2Cl ZINC000643466635 384645884 /nfs/dbraw/zinc/64/58/84/384645884.db2.gz JXZUZNLIXUIBHC-GXFFZTMASA-N 2 0 268.788 2.881 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000643466880 384646269 /nfs/dbraw/zinc/64/62/69/384646269.db2.gz YCUPCHXVBXAOQS-SOUVJXGZSA-N 2 0 268.445 2.702 20 0 CFADRP COc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1OC(F)F ZINC000643469639 384649949 /nfs/dbraw/zinc/64/99/49/384649949.db2.gz UBFKBDAIPHVXKV-VHSXEESVSA-N 2 0 288.338 2.512 20 0 CFADRP C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000643469197 384650719 /nfs/dbraw/zinc/65/07/19/384650719.db2.gz XFOKUHXEDXBGNW-CHWSQXEVSA-N 2 0 262.372 2.793 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643474110 384653204 /nfs/dbraw/zinc/65/32/04/384653204.db2.gz AFCFLZXKDJRSBS-LHJGCZIBSA-N 2 0 280.456 2.580 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643478096 384654567 /nfs/dbraw/zinc/65/45/67/384654567.db2.gz ZHQWINDEJIIYDE-OLMNPRSZSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000643477928 384655310 /nfs/dbraw/zinc/65/53/10/384655310.db2.gz BRBRZLKAUZPBMN-RVKKMQEKSA-N 2 0 272.436 2.769 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccnn1C ZINC000643484300 384656155 /nfs/dbraw/zinc/65/61/55/384656155.db2.gz QRRZPSILLKAHQC-YESZJQIVSA-N 2 0 298.434 2.894 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC000643480748 384656289 /nfs/dbraw/zinc/65/62/89/384656289.db2.gz ZYNBRMDVQNSFFG-QEIKUCIBSA-N 2 0 282.334 2.505 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000643478619 384656585 /nfs/dbraw/zinc/65/65/85/384656585.db2.gz OBJOWZBOTBJDMD-UHFFFAOYSA-N 2 0 288.391 2.512 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])CCO2 ZINC000643482367 384657156 /nfs/dbraw/zinc/65/71/56/384657156.db2.gz CSPNXRHFLCPWPB-APHBMKBZSA-N 2 0 290.407 2.626 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])CCO2 ZINC000643482368 384657554 /nfs/dbraw/zinc/65/75/54/384657554.db2.gz CSPNXRHFLCPWPB-DAXOMENPSA-N 2 0 290.407 2.626 20 0 CFADRP c1cnc2c(c1)CCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000643541959 384723065 /nfs/dbraw/zinc/72/30/65/384723065.db2.gz ZUKWTNRXWFZFGW-HUUCEWRRSA-N 2 0 259.397 2.581 20 0 CFADRP OCc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000638528010 384723796 /nfs/dbraw/zinc/72/37/96/384723796.db2.gz XTLRLNSUISLZAZ-UHFFFAOYSA-N 2 0 290.451 2.925 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545496 384724257 /nfs/dbraw/zinc/72/42/57/384724257.db2.gz HGOKPOMTSDAEEN-MRXNPFEDSA-N 2 0 278.346 2.852 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+]CCC[NH2+]C1CC1)C2 ZINC000643545072 384724355 /nfs/dbraw/zinc/72/43/55/384724355.db2.gz HQAPJMXMVDXIRN-QGZVFWFLSA-N 2 0 258.409 2.666 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545538 384724922 /nfs/dbraw/zinc/72/49/22/384724922.db2.gz STVCOYDUFCDKLR-CQSZACIVSA-N 2 0 264.438 2.969 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000643512158 384682870 /nfs/dbraw/zinc/68/28/70/384682870.db2.gz WTLRAUVKNOQLES-LZWOXQAQSA-N 2 0 261.413 2.867 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000643522013 384687002 /nfs/dbraw/zinc/68/70/02/384687002.db2.gz GHGNOCPSWXBGEP-HUUCEWRRSA-N 2 0 284.407 2.665 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cnn1C(C)C ZINC000643521757 384687190 /nfs/dbraw/zinc/68/71/90/384687190.db2.gz BGIWPEDNVWYUTK-GXTWGEPZSA-N 2 0 264.417 2.565 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522612 384688293 /nfs/dbraw/zinc/68/82/93/384688293.db2.gz QFSRFRPCZNZKRC-GOEBONIOSA-N 2 0 276.449 2.749 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCS2 ZINC000643522546 384689167 /nfs/dbraw/zinc/68/91/67/384689167.db2.gz OYWNKZRHVOKWLB-WFASDCNBSA-N 2 0 292.448 2.964 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCCC13CCOCC3)CC[NH2+]2 ZINC000643548120 384726582 /nfs/dbraw/zinc/72/65/82/384726582.db2.gz MRVDIPFAJPXJQI-GJZGRUSLSA-N 2 0 278.440 2.600 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643523112 384691035 /nfs/dbraw/zinc/69/10/35/384691035.db2.gz WVFNZXHEKHYQOM-XJKSGUPXSA-N 2 0 259.397 2.665 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000643522876 384691112 /nfs/dbraw/zinc/69/11/12/384691112.db2.gz UEIWEQDVIGGKHI-ZYHUDNBSSA-N 2 0 283.803 2.536 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CC2(C(C)C)CC2)CC1 ZINC000638483351 384691105 /nfs/dbraw/zinc/69/11/05/384691105.db2.gz KDDQDJNPWXHMTR-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000643523151 384691511 /nfs/dbraw/zinc/69/15/11/384691511.db2.gz ZFOZMLCKMVTXDB-KBPBESRZSA-N 2 0 262.397 2.796 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCCO2 ZINC000643523885 384692151 /nfs/dbraw/zinc/69/21/51/384692151.db2.gz KCWBQUIQXRPQKE-NWANDNLSSA-N 2 0 290.407 2.768 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000643524017 384692250 /nfs/dbraw/zinc/69/22/50/384692250.db2.gz ZJXGUTRZARITNJ-DZKIICNBSA-N 2 0 289.423 2.572 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000643524206 384693156 /nfs/dbraw/zinc/69/31/56/384693156.db2.gz VVBZDQBOAHFZLF-IOASZLSFSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643526515 384696307 /nfs/dbraw/zinc/69/63/07/384696307.db2.gz ADVJAJWGWVKIQO-QCLAVDOMSA-N 2 0 258.818 2.830 20 0 CFADRP C[C@@H]([NH3+])C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000643529354 384703830 /nfs/dbraw/zinc/70/38/30/384703830.db2.gz YVQDSYWQXGHGNH-OAHLLOKOSA-N 2 0 268.404 2.777 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000643529892 384703868 /nfs/dbraw/zinc/70/38/68/384703868.db2.gz UKTDNNGVWPYGFJ-WHOFXGATSA-N 2 0 266.816 2.988 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000643533328 384705237 /nfs/dbraw/zinc/70/52/37/384705237.db2.gz ITTWRKRUBGCXEO-GHMZBOCLSA-N 2 0 277.368 2.702 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(-n2cccn2)cc1 ZINC000643533881 384705352 /nfs/dbraw/zinc/70/53/52/384705352.db2.gz HGUQWHGRRYSSIO-YOEHRIQHSA-N 2 0 296.418 2.665 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000643533732 384705504 /nfs/dbraw/zinc/70/55/04/384705504.db2.gz CMAXPXPOLYRWCH-ZANVPECISA-N 2 0 284.325 2.897 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1 ZINC000643534492 384705541 /nfs/dbraw/zinc/70/55/41/384705541.db2.gz VXFHHMDVTDWQFY-HZMBPMFUSA-N 2 0 266.335 2.758 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000643533783 384705550 /nfs/dbraw/zinc/70/55/50/384705550.db2.gz DWVKNWGPEZTWAX-HOTGVXAUSA-N 2 0 274.408 2.878 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)[C@@H](C)C2 ZINC000643534727 384707030 /nfs/dbraw/zinc/70/70/30/384707030.db2.gz BAKKVKNDNZMXEO-RRQGHBQHSA-N 2 0 270.420 2.960 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534776 384708092 /nfs/dbraw/zinc/70/80/92/384708092.db2.gz CKPDPWNEHISTSI-JKSUJKDBSA-N 2 0 274.383 2.935 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535375 384709610 /nfs/dbraw/zinc/70/96/10/384709610.db2.gz CUKUEMKGRGZGIN-UKRRQHHQSA-N 2 0 290.382 2.553 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C12CCCCC2 ZINC000643535256 384709734 /nfs/dbraw/zinc/70/97/34/384709734.db2.gz LCGMGYVZLDXIBQ-BZUAXINKSA-N 2 0 292.467 2.846 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535151 384709751 /nfs/dbraw/zinc/70/97/51/384709751.db2.gz JPTOPOMNNVGMEE-NVXWUHKLSA-N 2 0 286.419 2.940 20 0 CFADRP c1cncc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C2CCC2)c1 ZINC000643536736 384711060 /nfs/dbraw/zinc/71/10/60/384711060.db2.gz VFDAGNLJJRCGDW-HOTGVXAUSA-N 2 0 271.408 2.655 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536540 384711134 /nfs/dbraw/zinc/71/11/34/384711134.db2.gz UUOZMVBXCUNNHZ-HOCLYGCPSA-N 2 0 290.382 2.771 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536558 384711184 /nfs/dbraw/zinc/71/11/84/384711184.db2.gz RSWHKPZNOMHOCZ-HZPDHXFCSA-N 2 0 272.392 2.501 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000643536661 384711283 /nfs/dbraw/zinc/71/12/83/384711283.db2.gz UIEJQLJGMCWVLO-QWHCGFSZSA-N 2 0 250.411 2.931 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643537047 384714166 /nfs/dbraw/zinc/71/41/66/384714166.db2.gz YLEOXSLXSLDCLV-GDBMZVCRSA-N 2 0 290.382 2.771 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541958 384721634 /nfs/dbraw/zinc/72/16/34/384721634.db2.gz ZUKWTNRXWFZFGW-GJZGRUSLSA-N 2 0 259.397 2.581 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000643541832 384722885 /nfs/dbraw/zinc/72/28/85/384722885.db2.gz GDIWXZKFBVLLHD-CHWSQXEVSA-N 2 0 252.427 2.801 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNCc2ncc(C)o2)c1 ZINC000638563164 384741791 /nfs/dbraw/zinc/74/17/91/384741791.db2.gz INCWGDZCOQEOBO-UHFFFAOYSA-N 2 0 273.380 2.725 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000638563586 384742958 /nfs/dbraw/zinc/74/29/58/384742958.db2.gz PCQCULJVHKIZGI-KRWDZBQOSA-N 2 0 276.424 2.797 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000638566158 384746184 /nfs/dbraw/zinc/74/61/84/384746184.db2.gz CAOORJVFHDASPS-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000638566264 384746686 /nfs/dbraw/zinc/74/66/86/384746686.db2.gz FKCCYTQXZLOUQU-RDBSUJKOSA-N 2 0 256.459 2.590 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566454 384746724 /nfs/dbraw/zinc/74/67/24/384746724.db2.gz JLIKVQQFQSTGNW-JYJNAYRXSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCCCC1 ZINC000638675041 384827906 /nfs/dbraw/zinc/82/79/06/384827906.db2.gz QUKMEXGHSAAHDY-AWEZNQCLSA-N 2 0 282.472 2.780 20 0 CFADRP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000638682330 384831970 /nfs/dbraw/zinc/83/19/70/384831970.db2.gz ULZAYBFPDRVXHV-CVEARBPZSA-N 2 0 280.456 2.558 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2ccnn2-c2ccccc2)CC[N@@H+]1C ZINC000279847424 384785143 /nfs/dbraw/zinc/78/51/43/384785143.db2.gz OSRDAEUXBRCNJZ-WBVHZDCISA-N 2 0 298.434 2.787 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@]1(F)c1ccccc1)C1CC[NH+](C)CC1 ZINC000643908574 384788168 /nfs/dbraw/zinc/78/81/68/384788168.db2.gz FFTOOIYVNUTYGR-XKQJLSEDSA-N 2 0 276.399 2.944 20 0 CFADRP C[C@@H]1CC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)C1 ZINC000638653755 384812202 /nfs/dbraw/zinc/81/22/02/384812202.db2.gz QQGPAHCGMMJBEL-KBPBESRZSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H](CNc1cc[nH+]c2c(O)cccc12)C[NH+](C)C ZINC000644133820 384870458 /nfs/dbraw/zinc/87/04/58/384870458.db2.gz UPWJZZVEXJSEIR-NSHDSACASA-N 2 0 259.353 2.550 20 0 CFADRP C(C[NH2+]C1CC[NH+](C2CCCC2)CC1)C[C@H]1CCO1 ZINC000638732913 384876178 /nfs/dbraw/zinc/87/61/78/384876178.db2.gz FXHQDQXBBYOZMB-INIZCTEOSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CS[C@@H](C)C1)C(C)C ZINC000638735077 384876532 /nfs/dbraw/zinc/87/65/32/384876532.db2.gz NTMVKFAUVDHFCY-KBPBESRZSA-N 2 0 258.475 2.979 20 0 CFADRP c1cnn(C2CC([NH2+]C3CC[NH+](C4CCCC4)CC3)C2)c1 ZINC000638738238 384878020 /nfs/dbraw/zinc/87/80/20/384878020.db2.gz YTJDXBLGZACGPV-UHFFFAOYSA-N 2 0 288.439 2.583 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638693428 384840633 /nfs/dbraw/zinc/84/06/33/384840633.db2.gz SBRAJNMSIFGUQR-MUJYYYPQSA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638702811 384851326 /nfs/dbraw/zinc/85/13/26/384851326.db2.gz SJVCTGLCUNOVEA-ZIAGYGMSSA-N 2 0 270.461 2.636 20 0 CFADRP COc1ccsc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422561939 533098126 /nfs/dbraw/zinc/09/81/26/533098126.db2.gz OKSBFNRHMQHHEX-TUAOUCFPSA-N 2 0 268.426 2.562 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638773544 384910144 /nfs/dbraw/zinc/91/01/44/384910144.db2.gz BXIQHDPPKRDJFE-JTDSTZFVSA-N 2 0 299.462 2.585 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)[C@H](C)O ZINC000644522320 384915459 /nfs/dbraw/zinc/91/54/59/384915459.db2.gz MQKCYOURPBWFOY-CVEARBPZSA-N 2 0 290.451 2.777 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000638862730 384994130 /nfs/dbraw/zinc/99/41/30/384994130.db2.gz HOQJEBSEDSQNRH-LBPRGKRZSA-N 2 0 253.390 2.583 20 0 CFADRP Cc1ccncc1CNC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000280389367 385000745 /nfs/dbraw/zinc/00/07/45/385000745.db2.gz UVUMLAMQFPHMTD-INIZCTEOSA-N 2 0 275.440 2.848 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2cnccc2C)[C@H](C)C1 ZINC000289244919 197273202 /nfs/dbraw/zinc/27/32/02/197273202.db2.gz AYKGTUDMNCDVNC-AEFFLSMTSA-N 2 0 289.467 2.985 20 0 CFADRP Cc1ccc(CC[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000638959318 385056901 /nfs/dbraw/zinc/05/69/01/385056901.db2.gz OWUKEAZWAWWWEF-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP CCC[C@H](C[NH2+]CC[C@@H](C)[NH+]1CCCCC1)OC ZINC000639039009 385112023 /nfs/dbraw/zinc/11/20/23/385112023.db2.gz XXUCKTCMAZXGIX-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@](C)(C[NH2+]CC[C@H](C)[NH+]1CCCCC1)OC ZINC000639039047 385112110 /nfs/dbraw/zinc/11/21/10/385112110.db2.gz ZFGVNYMNKCZLJS-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CCCN(C)C1 ZINC000644883247 385114640 /nfs/dbraw/zinc/11/46/40/385114640.db2.gz BKRNRGNZBSPYCA-RXBGNRNISA-N 2 0 288.435 2.920 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000270485576 385120398 /nfs/dbraw/zinc/12/03/98/385120398.db2.gz ORHRHJNXKLPYFE-INIZCTEOSA-N 2 0 276.399 2.989 20 0 CFADRP C[NH+](C)CC1(C[NH2+]CC2CCSCC2)CCCC1 ZINC000639048166 385125974 /nfs/dbraw/zinc/12/59/74/385125974.db2.gz YOIQBYTWNSYAKK-UHFFFAOYSA-N 2 0 270.486 2.841 20 0 CFADRP COc1cc2c(NC[C@@H](C)[NH+](C)C)cc[nH+]c2cc1F ZINC000280746811 385137579 /nfs/dbraw/zinc/13/75/79/385137579.db2.gz PCBRHULCQMSMBK-SNVBAGLBSA-N 2 0 277.343 2.745 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(CO)c1 ZINC000270416491 385095258 /nfs/dbraw/zinc/09/52/58/385095258.db2.gz DJDWYBCMEQXLAD-OAHLLOKOSA-N 2 0 276.424 2.706 20 0 CFADRP Cc1nccn1CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000270681860 385187291 /nfs/dbraw/zinc/18/72/91/385187291.db2.gz VAVFAVXTBYIFEJ-WMLDXEAASA-N 2 0 285.391 2.654 20 0 CFADRP Cc1ncc([C@H](C)[N@@H+]2CCCC23CC[NH+](C)CC3)c(C)n1 ZINC000639080703 385160858 /nfs/dbraw/zinc/16/08/58/385160858.db2.gz CSYBDXAFAHNRTN-AWEZNQCLSA-N 2 0 288.439 2.715 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000639089567 385172709 /nfs/dbraw/zinc/17/27/09/385172709.db2.gz HHXZWRJEESIPKP-OAHLLOKOSA-N 2 0 282.472 2.780 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)nc1 ZINC000645083297 385179467 /nfs/dbraw/zinc/17/94/67/385179467.db2.gz JAIWFKBIHQQDPH-MRXNPFEDSA-N 2 0 270.380 2.678 20 0 CFADRP C[C@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000645132473 385206372 /nfs/dbraw/zinc/20/63/72/385206372.db2.gz FZCJQUSPQDKHNP-BMFZPTHFSA-N 2 0 250.430 2.696 20 0 CFADRP COc1cc(C)c([C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000639112930 385208042 /nfs/dbraw/zinc/20/80/42/385208042.db2.gz ISZLSJJKHXYQGN-HRCADAONSA-N 2 0 288.435 2.866 20 0 CFADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CC1(F)F ZINC000639125655 385224112 /nfs/dbraw/zinc/22/41/12/385224112.db2.gz YVTWSYUMKJQITR-WTIISPKJSA-N 2 0 258.356 2.637 20 0 CFADRP C(C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C[C@H]1CCO1 ZINC000639132662 385232688 /nfs/dbraw/zinc/23/26/88/385232688.db2.gz CTGXVPYVAPRNKC-IRXDYDNUSA-N 2 0 280.456 2.942 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc3[nH]ccc3c2)CC1 ZINC000282242142 385258106 /nfs/dbraw/zinc/25/81/06/385258106.db2.gz JDEFNOQGMVBKLE-UHFFFAOYSA-N 2 0 271.408 2.784 20 0 CFADRP CO[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000639109402 385204300 /nfs/dbraw/zinc/20/43/00/385204300.db2.gz ZEACMSYJWCNSOG-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1F ZINC000282308727 385279071 /nfs/dbraw/zinc/27/90/71/385279071.db2.gz KICKEZXAHJEAFJ-CQSZACIVSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(F)F)nc1 ZINC000639179035 385288852 /nfs/dbraw/zinc/28/88/52/385288852.db2.gz RCTOVLOZOHTAES-BXUZGUMPSA-N 2 0 283.366 2.791 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCSCC2)C1 ZINC000639180832 385293140 /nfs/dbraw/zinc/29/31/40/385293140.db2.gz ZJSVELPXKHUGCJ-HUUCEWRRSA-N 2 0 268.470 2.546 20 0 CFADRP Nc1c(F)cccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000639211277 385334014 /nfs/dbraw/zinc/33/40/14/385334014.db2.gz SOZAHJXPSBRFKO-UHFFFAOYSA-N 2 0 279.403 2.764 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639257275 385386338 /nfs/dbraw/zinc/38/63/38/385386338.db2.gz LFLDOAXRTLYVLM-LVQVYYBASA-N 2 0 250.430 2.744 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nc3ccccc3o2)C1 ZINC000639257150 385386379 /nfs/dbraw/zinc/38/63/79/385386379.db2.gz JOYXFKPMINJWMZ-ZDUSSCGKSA-N 2 0 273.380 2.649 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@H]1CC1(C)C ZINC000639272085 385401884 /nfs/dbraw/zinc/40/18/84/385401884.db2.gz PWGPGIOTTAOMGB-CABCVRRESA-N 2 0 282.472 2.636 20 0 CFADRP Cc1ncc(C[NH2+][C@@H](C)Cn2cccn2)n1-c1ccccc1 ZINC000271975153 385415763 /nfs/dbraw/zinc/41/57/63/385415763.db2.gz NORXRHWPGRZLEZ-AWEZNQCLSA-N 2 0 295.390 2.556 20 0 CFADRP CCCN1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639328226 385455276 /nfs/dbraw/zinc/45/52/76/385455276.db2.gz BLHYCSPPUUINCO-IAGOWNOFSA-N 2 0 287.451 2.587 20 0 CFADRP C([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639339185 385465587 /nfs/dbraw/zinc/46/55/87/385465587.db2.gz ZPTOFTIAMFWTHB-NXOAAHMSSA-N 2 0 262.441 2.744 20 0 CFADRP COCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272187177 385469369 /nfs/dbraw/zinc/46/93/69/385469369.db2.gz JPLJOCTYVHEZMW-JZXOWHBKSA-N 2 0 290.451 2.912 20 0 CFADRP C(C[NH2+]C[C@H]1CCN1C1CCCCC1)C[C@H]1CCO1 ZINC000639345428 385469402 /nfs/dbraw/zinc/46/94/02/385469402.db2.gz LMPOIPDIMKDYIS-CVEARBPZSA-N 2 0 266.429 2.552 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000639347027 385470454 /nfs/dbraw/zinc/47/04/54/385470454.db2.gz LEVIQYCCWTZCIU-QGZVFWFLSA-N 2 0 260.425 2.859 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCN1C1CCCC1)OC ZINC000639351399 385473732 /nfs/dbraw/zinc/47/37/32/385473732.db2.gz FWGSNFSTOADAIM-CWRNSKLLSA-N 2 0 268.445 2.654 20 0 CFADRP C([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCSCC1 ZINC000639337093 385462090 /nfs/dbraw/zinc/46/20/90/385462090.db2.gz JPCQMCOPDDZYDZ-INIZCTEOSA-N 2 0 282.497 2.841 20 0 CFADRP c1c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)onc1C1CC1 ZINC000639336294 385462566 /nfs/dbraw/zinc/46/25/66/385462566.db2.gz BCSUODUPHBGPDH-AWEZNQCLSA-N 2 0 289.423 2.764 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000639374093 385491532 /nfs/dbraw/zinc/49/15/32/385491532.db2.gz ALUGGVHQJPEOQN-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C)(F)CC1 ZINC000639388803 385508076 /nfs/dbraw/zinc/50/80/76/385508076.db2.gz MVFDINYKWVVOMP-UHFFFAOYSA-N 2 0 288.370 2.900 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284030396 385526096 /nfs/dbraw/zinc/52/60/96/385526096.db2.gz IJVFJQBSFJWPRD-SFHVURJKSA-N 2 0 288.435 2.619 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000639495984 385560787 /nfs/dbraw/zinc/56/07/87/385560787.db2.gz LGGMXMWLCOGIGR-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000639544395 385578395 /nfs/dbraw/zinc/57/83/95/385578395.db2.gz XNMMDHGPHCQLPB-HYVNUMGLSA-N 2 0 292.467 2.750 20 0 CFADRP CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272700095 385591865 /nfs/dbraw/zinc/59/18/65/385591865.db2.gz YIDVCNLOYHYVLL-NJAFHUGGSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000272824819 385625801 /nfs/dbraw/zinc/62/58/01/385625801.db2.gz DGFLFSCSNKKEMI-UHFFFAOYSA-N 2 0 256.393 2.784 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c(C)n1 ZINC000639649955 385635185 /nfs/dbraw/zinc/63/51/85/385635185.db2.gz FVRXDKPWMPTPQZ-HNNXBMFYSA-N 2 0 270.380 2.650 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000272770839 385609144 /nfs/dbraw/zinc/60/91/44/385609144.db2.gz SOUYRIZYFZYYBP-INIZCTEOSA-N 2 0 290.382 2.891 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc([S@@](C)=O)cc1 ZINC000272933465 385659168 /nfs/dbraw/zinc/65/91/68/385659168.db2.gz KEYLMBBPVPDBKU-XBHMSOGKSA-N 2 0 294.464 2.559 20 0 CFADRP COc1cccc(OC)c1C[NH2+]CCC1CC[NH+](C)CC1 ZINC000286698716 385689630 /nfs/dbraw/zinc/68/96/30/385689630.db2.gz WIILEWUIZNGWAI-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000639756272 385697395 /nfs/dbraw/zinc/69/73/95/385697395.db2.gz UKFAXFHIIZXPJN-UHFFFAOYSA-N 2 0 280.362 2.883 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)nc1 ZINC000639756590 385697463 /nfs/dbraw/zinc/69/74/63/385697463.db2.gz XVKPPSISDZYYIY-UHFFFAOYSA-N 2 0 273.424 2.562 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757176 385697820 /nfs/dbraw/zinc/69/78/20/385697820.db2.gz ICDNWKREHWZUIC-UHFFFAOYSA-N 2 0 288.435 2.751 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCc3c(F)cccc3F)C2)CC1 ZINC000639756642 385698082 /nfs/dbraw/zinc/69/80/82/385698082.db2.gz ZZWFRIIKYXCIND-UHFFFAOYSA-N 2 0 294.389 2.925 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000639756967 385698359 /nfs/dbraw/zinc/69/83/59/385698359.db2.gz AZTDYEWGYQBUGT-UHFFFAOYSA-N 2 0 262.372 2.743 20 0 CFADRP Cc1cccc(OCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639759814 385700123 /nfs/dbraw/zinc/70/01/23/385700123.db2.gz KGJYBHGPGIHCJB-UHFFFAOYSA-N 2 0 288.435 2.792 20 0 CFADRP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000286974009 385753787 /nfs/dbraw/zinc/75/37/87/385753787.db2.gz IROIFSUJPORONB-LZLYRXPVSA-N 2 0 289.467 2.579 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000274342432 385771443 /nfs/dbraw/zinc/77/14/43/385771443.db2.gz ISDVFOJMBBAVLR-CQSZACIVSA-N 2 0 274.408 2.565 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc2s1 ZINC000572842212 322634130 /nfs/dbraw/zinc/63/41/30/322634130.db2.gz WGXFRACOBHPVJE-VHSXEESVSA-N 2 0 263.410 2.820 20 0 CFADRP CCC[C@H]([NH2+]CCN(C)C)c1ccc(OC)cc1 ZINC000287210069 385804428 /nfs/dbraw/zinc/80/44/28/385804428.db2.gz WWURCNUWJLBGQZ-HNNXBMFYSA-N 2 0 250.386 2.688 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000639984185 385805463 /nfs/dbraw/zinc/80/54/63/385805463.db2.gz SCDITTABCOQQNC-MRXNPFEDSA-N 2 0 280.456 2.896 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000639986527 385806600 /nfs/dbraw/zinc/80/66/00/385806600.db2.gz OAGSJPVASPFCCR-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000639986526 385806799 /nfs/dbraw/zinc/80/67/99/385806799.db2.gz OAGSJPVASPFCCR-KRWDZBQOSA-N 2 0 293.499 2.811 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CCF)CC1 ZINC000639987259 385807170 /nfs/dbraw/zinc/80/71/70/385807170.db2.gz GPGCBPULUBOOMR-HNNXBMFYSA-N 2 0 256.409 2.932 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(CC)cc2)CC1 ZINC000276690436 386016373 /nfs/dbraw/zinc/01/63/73/386016373.db2.gz WCTJEZRWNNBIFT-SFHVURJKSA-N 2 0 290.451 2.746 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCC[NH3+] ZINC000123304948 413011645 /nfs/dbraw/zinc/01/16/45/413011645.db2.gz XIVLHFJDLKDWOY-SNVBAGLBSA-N 2 0 258.312 2.630 20 0 CFADRP c1cc(C[NH2+]C(C2CC2)C2CC2)c2c(c1)C[NH2+]CC2 ZINC000123932458 413012968 /nfs/dbraw/zinc/01/29/68/413012968.db2.gz AFHAJJQVRGFKHP-UHFFFAOYSA-N 2 0 256.393 2.611 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000423261185 533168236 /nfs/dbraw/zinc/16/82/36/533168236.db2.gz RPRLAXAWRQEIIH-KBPBESRZSA-N 2 0 292.423 2.744 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000051630796 542432575 /nfs/dbraw/zinc/43/25/75/542432575.db2.gz SXFAZTNEINOHDZ-RDTXWAMCSA-N 2 0 272.436 2.864 20 0 CFADRP COc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000423239228 533194909 /nfs/dbraw/zinc/19/49/09/533194909.db2.gz BCFCLTGVVDHKTH-WMLDXEAASA-N 2 0 276.424 2.982 20 0 CFADRP COc1cnccc1-c1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001243076961 781976978 /nfs/dbraw/zinc/97/69/78/781976978.db2.gz IKCZHZUAJQWXJG-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCc2ccccc2F)CC[N@@H+]1C ZINC000281253325 195169584 /nfs/dbraw/zinc/16/95/84/195169584.db2.gz WCELEXIARQEKND-UKRRQHHQSA-N 2 0 264.388 2.831 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000129061839 413026684 /nfs/dbraw/zinc/02/66/84/413026684.db2.gz YJABGCJINZWCBZ-CMPLNLGQSA-N 2 0 288.313 2.897 20 0 CFADRP Fc1cncc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C2CC2)c1 ZINC000281331243 195200028 /nfs/dbraw/zinc/20/00/28/195200028.db2.gz TZEOVWSSMDTISQ-PXAZEXFGSA-N 2 0 289.398 2.746 20 0 CFADRP COCCC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCC1 ZINC000422890430 533211868 /nfs/dbraw/zinc/21/18/68/533211868.db2.gz SCAMZWMBBWRVBV-CYBMUJFWSA-N 2 0 291.439 2.706 20 0 CFADRP COCCC1(C[NH2+][C@H](C)CCCC[NH3+])CCCC1 ZINC000422889918 533212101 /nfs/dbraw/zinc/21/21/01/533212101.db2.gz QTWFLDQIJXRLAI-CQSZACIVSA-N 2 0 256.434 2.690 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000422892402 533212501 /nfs/dbraw/zinc/21/25/01/533212501.db2.gz YJGNZQINTDVQMZ-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(CO)CCCCC1 ZINC000130841619 413030483 /nfs/dbraw/zinc/03/04/83/413030483.db2.gz LIXPFMGDUQWODD-HZPDHXFCSA-N 2 0 282.472 2.830 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000131040848 413032495 /nfs/dbraw/zinc/03/24/95/413032495.db2.gz SGJFEZJEZKEOSV-UHFFFAOYSA-N 2 0 258.365 2.994 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682156894 542528840 /nfs/dbraw/zinc/52/88/40/542528840.db2.gz QYRQXIBZLVUSBV-BBRMVZONSA-N 2 0 294.464 2.611 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccs1 ZINC000020200508 542571000 /nfs/dbraw/zinc/57/10/00/542571000.db2.gz QUOQQWPBUBLERA-CQSZACIVSA-N 2 0 295.496 2.815 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000094009553 184749801 /nfs/dbraw/zinc/74/98/01/184749801.db2.gz VYQZBUHKZGLKDU-LLVKDONJSA-N 2 0 252.789 2.990 20 0 CFADRP CCO[C@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000682673709 542578149 /nfs/dbraw/zinc/57/81/49/542578149.db2.gz TTXUIASOBMPVEL-INIZCTEOSA-N 2 0 262.397 2.824 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414856636 533340363 /nfs/dbraw/zinc/34/03/63/533340363.db2.gz OSJXDESLFOFFOH-CVEARBPZSA-N 2 0 287.451 2.633 20 0 CFADRP COc1ccc(C)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415019378 533388279 /nfs/dbraw/zinc/38/82/79/533388279.db2.gz VOHPJMJDVOLODI-ZDUSSCGKSA-N 2 0 250.386 2.611 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000423347353 533365565 /nfs/dbraw/zinc/36/55/65/533365565.db2.gz QFOSVEBAPCRYJL-LLVKDONJSA-N 2 0 282.334 2.858 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc2c(s1)CCC2 ZINC000423349802 533366042 /nfs/dbraw/zinc/36/60/42/533366042.db2.gz XNIINYZNXXCPKV-LLVKDONJSA-N 2 0 262.422 2.807 20 0 CFADRP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423104015 533366572 /nfs/dbraw/zinc/36/65/72/533366572.db2.gz BHCRARIVAXRFQT-YPMHNXCESA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+]CCCc1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000422699811 533390790 /nfs/dbraw/zinc/39/07/90/533390790.db2.gz BFAKOZWFAPJFBO-LLVKDONJSA-N 2 0 286.341 2.836 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423335812 533378503 /nfs/dbraw/zinc/37/85/03/533378503.db2.gz UGOFADVEOLUHSU-SECBINFHSA-N 2 0 276.302 2.817 20 0 CFADRP C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422782592 533386279 /nfs/dbraw/zinc/38/62/79/533386279.db2.gz JUFLESJCDXOANG-VYDXJSESSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422960844 533328760 /nfs/dbraw/zinc/32/87/60/533328760.db2.gz XXZWSAZEAPNGIN-GDBMZVCRSA-N 2 0 258.409 2.882 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@@H]1CCC[NH2+]C1 ZINC000414849004 533458694 /nfs/dbraw/zinc/45/86/94/533458694.db2.gz HAHVQMBLRNCXKT-UKRRQHHQSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)o1 ZINC000423199058 533395025 /nfs/dbraw/zinc/39/50/25/533395025.db2.gz ANHILNOZWFQYKA-OAHLLOKOSA-N 2 0 299.418 2.502 20 0 CFADRP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(Br)cs1 ZINC000423302707 533408694 /nfs/dbraw/zinc/40/86/94/533408694.db2.gz HZQGQTGHVYYFRQ-JGVFFNPUSA-N 2 0 277.231 2.756 20 0 CFADRP C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422891150 533410048 /nfs/dbraw/zinc/41/00/48/533410048.db2.gz KDOXYWKIWAARCF-PVAVHDDUSA-N 2 0 281.488 2.617 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422791847 533417342 /nfs/dbraw/zinc/41/73/42/533417342.db2.gz VIJNRKROQIOSPX-UPJWGTAASA-N 2 0 250.386 2.780 20 0 CFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000423096056 533419293 /nfs/dbraw/zinc/41/92/93/533419293.db2.gz NXDLUVVGAGMOEA-BPQIPLTHSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423096060 533419707 /nfs/dbraw/zinc/41/97/07/533419707.db2.gz NXDLUVVGAGMOEA-NJAFHUGGSA-N 2 0 293.499 2.904 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000423160326 533526863 /nfs/dbraw/zinc/52/68/63/533526863.db2.gz QKQUBLDYIJFKJT-PPWQZUPISA-N 2 0 270.486 2.886 20 0 CFADRP COc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)c(Cl)c1 ZINC000422888092 533496746 /nfs/dbraw/zinc/49/67/46/533496746.db2.gz LZMGBTUYKDIQNN-UHFFFAOYSA-N 2 0 296.842 2.998 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)[C@H]1CCC[NH2+]C1 ZINC000423214636 533503199 /nfs/dbraw/zinc/50/31/99/533503199.db2.gz LNSLQQFXXQSADO-RDBSUJKOSA-N 2 0 293.430 2.930 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414863669 533512086 /nfs/dbraw/zinc/51/20/86/533512086.db2.gz YBAQENVABWKBGF-AWEZNQCLSA-N 2 0 268.445 2.833 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422784254 533512536 /nfs/dbraw/zinc/51/25/36/533512536.db2.gz NUOBYZQPOBYVBR-RDBSUJKOSA-N 2 0 264.413 2.732 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414894759 533580050 /nfs/dbraw/zinc/58/00/50/533580050.db2.gz LRVXVVFUBFWUHS-VIFPVBQESA-N 2 0 294.292 2.594 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414878924 533580504 /nfs/dbraw/zinc/58/05/04/533580504.db2.gz IBIGWPGONDQQJU-QMMMGPOBSA-N 2 0 278.730 2.768 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423121273 533537808 /nfs/dbraw/zinc/53/78/08/533537808.db2.gz ANCXRRMHBHJKOD-NSHDSACASA-N 2 0 289.345 2.750 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423142621 533538172 /nfs/dbraw/zinc/53/81/72/533538172.db2.gz AUTYINGLQJMQRC-QWHCGFSZSA-N 2 0 264.438 2.983 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422747592 533539943 /nfs/dbraw/zinc/53/99/43/533539943.db2.gz QONPAWNFODJYRA-JKSUJKDBSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422810973 533553686 /nfs/dbraw/zinc/55/36/86/533553686.db2.gz SRUUVBWERYGFDG-AWEZNQCLSA-N 2 0 269.392 2.966 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422892814 533554013 /nfs/dbraw/zinc/55/40/13/533554013.db2.gz NXBAMHLPAKQFEP-NSHDSACASA-N 2 0 290.329 2.845 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000422813507 533555066 /nfs/dbraw/zinc/55/50/66/533555066.db2.gz ZIYBOSZKNWGQAR-STQMWFEESA-N 2 0 289.423 2.813 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423341896 533643981 /nfs/dbraw/zinc/64/39/81/533643981.db2.gz KNYHKJGHAIHCIG-APWZRJJASA-N 3 0 299.462 2.549 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1([NH3+])CCC1 ZINC000423339943 533652103 /nfs/dbraw/zinc/65/21/03/533652103.db2.gz XDVZQBNQZCWGNR-NSHDSACASA-N 2 0 268.351 2.757 20 0 CFADRP C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000682912091 542609372 /nfs/dbraw/zinc/60/93/72/542609372.db2.gz ILQAMKGBKUXEFI-RHSMWYFYSA-N 2 0 282.472 2.638 20 0 CFADRP Fc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000191522646 130248918 /nfs/dbraw/zinc/24/89/18/130248918.db2.gz GWZOTHABEJUQTB-UONOGXRCSA-N 2 0 280.362 2.724 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CCC2CC2)CC1 ZINC000342106413 130263961 /nfs/dbraw/zinc/26/39/61/130263961.db2.gz APGODEHRIJYQID-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000342122468 130278151 /nfs/dbraw/zinc/27/81/51/130278151.db2.gz CBZJWGFLGKOXFR-HZUKXOBISA-N 2 0 294.826 2.908 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000355361619 130289834 /nfs/dbraw/zinc/28/98/34/130289834.db2.gz DYQIPWMENSSTFZ-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP CCc1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342090854 130305390 /nfs/dbraw/zinc/30/53/90/130305390.db2.gz CADNUUGTGSALJY-RYQLBKOJSA-N 2 0 288.435 2.687 20 0 CFADRP Cc1ccc(OCCC[NH2+]CC2([NH3+])CCC2)cc1C ZINC000342091860 130306342 /nfs/dbraw/zinc/30/63/42/130306342.db2.gz CXYHKQOGQSYFON-UHFFFAOYSA-N 2 0 262.397 2.543 20 0 CFADRP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)[nH]1 ZINC000683108786 542640638 /nfs/dbraw/zinc/64/06/38/542640638.db2.gz DEMADFSQAZAWMT-AVGNSLFASA-N 2 0 293.459 2.699 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000192454661 130451234 /nfs/dbraw/zinc/45/12/34/130451234.db2.gz BXHNQSQRAZHEKK-MAUKXSAKSA-N 2 0 288.435 2.797 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423253537 285458601 /nfs/dbraw/zinc/45/86/01/285458601.db2.gz WBQDAXQWYGYZSJ-YPMHNXCESA-N 2 0 250.411 2.715 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237051595 131000792 /nfs/dbraw/zinc/00/07/92/131000792.db2.gz FBKVMJMAWCOUPK-KRWDZBQOSA-N 2 0 289.423 2.527 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC[NH3+])cc2)C1 ZINC000237553431 131040874 /nfs/dbraw/zinc/04/08/74/131040874.db2.gz BATCKRNVBHWGME-CQSZACIVSA-N 2 0 289.423 2.596 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000414899449 285479202 /nfs/dbraw/zinc/47/92/02/285479202.db2.gz CJZCXGAIMDAQJB-IKGGRYGDSA-N 2 0 258.409 2.597 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccccc2)C[C@H]1n1ccnc1 ZINC000245611111 131088265 /nfs/dbraw/zinc/08/82/65/131088265.db2.gz LHFRCOBFCKESOA-KBAYOESNSA-N 2 0 299.418 2.674 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H](C)C1 ZINC000247015071 131098788 /nfs/dbraw/zinc/09/87/88/131098788.db2.gz MMPLPXRNXSAHIH-DOTOQJQBSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000248065182 131110402 /nfs/dbraw/zinc/11/04/02/131110402.db2.gz ZHTNHTLRXJYJTA-AVRGHOLYSA-N 2 0 296.842 2.692 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000250885333 131127699 /nfs/dbraw/zinc/12/76/99/131127699.db2.gz ZJXLYRHZUZUALF-FRRDWIJNSA-N 2 0 252.427 2.875 20 0 CFADRP C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262161656 131195851 /nfs/dbraw/zinc/19/58/51/131195851.db2.gz GXLGNVLJQUPFSV-MAUKXSAKSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccccc1F ZINC000268736030 132058390 /nfs/dbraw/zinc/05/83/90/132058390.db2.gz PXNDPLMOEXLJAB-UMVBOHGHSA-N 2 0 280.387 2.523 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](COC)Cc1ccccc1 ZINC000268748511 132060423 /nfs/dbraw/zinc/06/04/23/132060423.db2.gz SYXDZBMZIUYPMS-QGZVFWFLSA-N 2 0 278.440 2.566 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000268769225 132062664 /nfs/dbraw/zinc/06/26/64/132062664.db2.gz RXIUMTOEMMXHBL-KBMXLJTQSA-N 2 0 295.496 2.671 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC[N@@H+]1C ZINC000268774187 132064186 /nfs/dbraw/zinc/06/41/86/132064186.db2.gz QYTGIVWETDPQMH-QAPCUYQASA-N 2 0 298.434 2.504 20 0 CFADRP COCCCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268783972 132065561 /nfs/dbraw/zinc/06/55/61/132065561.db2.gz RDNRHSXBPDHIHL-OAHLLOKOSA-N 2 0 294.439 2.704 20 0 CFADRP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc2c(c1)COC2 ZINC000268981989 132094965 /nfs/dbraw/zinc/09/49/65/132094965.db2.gz DAVCMCXGPFKMGG-LXIYXOSZSA-N 2 0 286.419 2.850 20 0 CFADRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc2c(c1)COC2 ZINC000268981987 132095210 /nfs/dbraw/zinc/09/52/10/132095210.db2.gz DAVCMCXGPFKMGG-FHSNZYRGSA-N 2 0 286.419 2.850 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@H](C)CC[NH+](C)C ZINC000268995732 132097254 /nfs/dbraw/zinc/09/72/54/132097254.db2.gz KKTQITMCPZRUBZ-IUODEOHRSA-N 2 0 262.397 2.612 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000269030363 132101389 /nfs/dbraw/zinc/10/13/89/132101389.db2.gz RMTPUPARZDMKRD-YOEHRIQHSA-N 2 0 296.430 2.703 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000269066778 132107713 /nfs/dbraw/zinc/10/77/13/132107713.db2.gz ZBQSWHRWOAWINJ-OAHLLOKOSA-N 2 0 294.439 2.704 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2F)C1 ZINC000269124781 132115545 /nfs/dbraw/zinc/11/55/45/132115545.db2.gz CARSKXOEDFLJPF-HOCLYGCPSA-N 2 0 262.372 2.742 20 0 CFADRP c1c2ccccc2[nH]c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000683927208 542745530 /nfs/dbraw/zinc/74/55/30/542745530.db2.gz GCGWDUIVRGWEHX-CYBMUJFWSA-N 2 0 269.392 2.742 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000192476856 413058370 /nfs/dbraw/zinc/05/83/70/413058370.db2.gz DUQLGPHUOYAEGN-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000192476957 413058458 /nfs/dbraw/zinc/05/84/58/413058458.db2.gz QRSFAGZXPLSNDI-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP COCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374068492 393480978 /nfs/dbraw/zinc/48/09/78/393480978.db2.gz WGSNNSWACMGJJL-SFHVURJKSA-N 2 0 288.435 2.621 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000178980047 393450481 /nfs/dbraw/zinc/45/04/81/393450481.db2.gz UGBYOPCAYDIFAU-SFHVURJKSA-N 3 0 293.499 2.574 20 0 CFADRP C(C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCCC1 ZINC000179097510 393452213 /nfs/dbraw/zinc/45/22/13/393452213.db2.gz HIIGUVFQYBFYCT-ULQDDVLXSA-N 2 0 292.467 2.800 20 0 CFADRP CC[NH+](CC(O)C[N@@H+](CC)C1CCCC1)C1CCCC1 ZINC000181781352 393502822 /nfs/dbraw/zinc/50/28/22/393502822.db2.gz YLYZLGRZSWSMRF-UHFFFAOYSA-N 2 0 282.472 2.876 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000375252117 393506854 /nfs/dbraw/zinc/50/68/54/393506854.db2.gz DKEONVDWNPVPAG-UHFFFAOYSA-N 2 0 280.456 2.755 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000375883825 393513091 /nfs/dbraw/zinc/51/30/91/393513091.db2.gz FANXEZPSUGRUJT-MRXNPFEDSA-N 2 0 290.455 2.889 20 0 CFADRP C[N@H+](CCC[NH2+]Cc1ccc(CO)cc1)Cc1ccccc1 ZINC000379420891 393553138 /nfs/dbraw/zinc/55/31/38/393553138.db2.gz ADZWNLDEGDZTHK-UHFFFAOYSA-N 2 0 298.430 2.791 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC000684383574 542797489 /nfs/dbraw/zinc/79/74/89/542797489.db2.gz WTPJUOZKHUYERW-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H](C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000380906303 393558958 /nfs/dbraw/zinc/55/89/58/393558958.db2.gz OEMFIRBFRUHDHO-CVEARBPZSA-N 2 0 264.413 2.679 20 0 CFADRP CC(C)C[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000684362563 542793114 /nfs/dbraw/zinc/79/31/14/542793114.db2.gz RGBBVEJHOUNWPW-KZNAEPCWSA-N 2 0 272.436 2.968 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000684376536 542796218 /nfs/dbraw/zinc/79/62/18/542796218.db2.gz CQFBNUSYXAJWGG-HRCADAONSA-N 2 0 268.445 2.654 20 0 CFADRP CCOC(C)(C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000188687620 393567092 /nfs/dbraw/zinc/56/70/92/393567092.db2.gz JERYHQXFMIHDAX-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1 ZINC000401896566 393606960 /nfs/dbraw/zinc/60/69/60/393606960.db2.gz XRVCKEAIYVAPSV-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP COC[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000075685581 393677143 /nfs/dbraw/zinc/67/71/43/393677143.db2.gz OSXRVHSSIIXYHG-INIZCTEOSA-N 2 0 290.451 2.865 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)[C@H]1CC[NH3+] ZINC000404421788 393618826 /nfs/dbraw/zinc/61/88/26/393618826.db2.gz JCPATGJSUIJGGY-OAGGEKHMSA-N 2 0 280.456 2.928 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)n1 ZINC000334983887 393630717 /nfs/dbraw/zinc/63/07/17/393630717.db2.gz UGXVFADJXIFYNQ-DOTOQJQBSA-N 2 0 273.424 2.662 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc(C)c1F ZINC000335033266 393635148 /nfs/dbraw/zinc/63/51/48/393635148.db2.gz FIDAYHUCNROGDA-LBPRGKRZSA-N 2 0 250.361 2.845 20 0 CFADRP [NH3+][C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000335028382 393635674 /nfs/dbraw/zinc/63/56/74/393635674.db2.gz IZDQZQABUKMYSZ-JOCCRWCTSA-N 2 0 285.435 2.738 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000070169695 393637084 /nfs/dbraw/zinc/63/70/84/393637084.db2.gz KROAWQSHVCHMEZ-LBPRGKRZSA-N 2 0 252.789 2.901 20 0 CFADRP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335044189 393637286 /nfs/dbraw/zinc/63/72/86/393637286.db2.gz XQPDMWDTZJUIBM-HOCLYGCPSA-N 2 0 262.372 2.935 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192923673 393637703 /nfs/dbraw/zinc/63/77/03/393637703.db2.gz LZDAZWINZIDHLU-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc2c(c1)CCC2 ZINC000070498146 393638442 /nfs/dbraw/zinc/63/84/42/393638442.db2.gz MAWPIVXUNDQALL-SUMWQHHRSA-N 2 0 258.409 2.877 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000335250885 393655201 /nfs/dbraw/zinc/65/52/01/393655201.db2.gz URMNLNWFQCKXJL-DLBZAZTESA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684556910 542825732 /nfs/dbraw/zinc/82/57/32/542825732.db2.gz PFWUOKHIMNSFGD-WMZOPIPTSA-N 2 0 290.451 2.649 20 0 CFADRP Fc1cccc2c1SCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335520257 393674903 /nfs/dbraw/zinc/67/49/03/393674903.db2.gz PWFXPWWWBBPRKK-SMDDNHRTSA-N 2 0 280.412 2.952 20 0 CFADRP O[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411148113 393675011 /nfs/dbraw/zinc/67/50/11/393675011.db2.gz KOYDGDTUQMXFRH-SFHVURJKSA-N 2 0 288.435 2.629 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2scnc2C)C1 ZINC000081516649 393734378 /nfs/dbraw/zinc/73/43/78/393734378.db2.gz HPSVFGLYVGCUHD-AWEZNQCLSA-N 2 0 281.469 2.658 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000336440394 393735408 /nfs/dbraw/zinc/73/54/08/393735408.db2.gz VZELGEMKWVXTDB-YPMHNXCESA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](C)O ZINC000411718890 393741438 /nfs/dbraw/zinc/74/14/38/393741438.db2.gz MIJCIJVGGCZJMG-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)CC[N@@H+]1C ZINC000336647846 393744635 /nfs/dbraw/zinc/74/46/35/393744635.db2.gz BHFOVXRXNVLFPM-JHJVBQTASA-N 2 0 260.372 2.884 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc[nH]c2)C1 ZINC000086251041 393754476 /nfs/dbraw/zinc/75/44/76/393754476.db2.gz JYVSMIKSCKGCBC-GJZGRUSLSA-N 2 0 263.429 2.862 20 0 CFADRP CCC[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000337292271 393757668 /nfs/dbraw/zinc/75/76/68/393757668.db2.gz FRKRUMGKIYAJBG-INIZCTEOSA-N 2 0 281.488 2.665 20 0 CFADRP OC1(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000411218586 393687391 /nfs/dbraw/zinc/68/73/91/393687391.db2.gz BUXSSQYJXGPHLB-KRWDZBQOSA-N 2 0 294.483 2.880 20 0 CFADRP OC1(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC000411218587 393687735 /nfs/dbraw/zinc/68/77/35/393687735.db2.gz BUXSSQYJXGPHLB-QGZVFWFLSA-N 2 0 294.483 2.880 20 0 CFADRP CCCCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000077283719 393697309 /nfs/dbraw/zinc/69/73/09/393697309.db2.gz IJDPOZRAEIZTDQ-KRWDZBQOSA-N 2 0 281.488 2.669 20 0 CFADRP C[C@H](O)CC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411315242 393698701 /nfs/dbraw/zinc/69/87/01/393698701.db2.gz SXXKNCBXFLDHGD-INIZCTEOSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@]1(O)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411327174 393700197 /nfs/dbraw/zinc/70/01/97/393700197.db2.gz IBDFXCFWZCZDQS-SFHVURJKSA-N 2 0 288.435 2.629 20 0 CFADRP CC(C)c1ncc(CN2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000335967439 393711728 /nfs/dbraw/zinc/71/17/28/393711728.db2.gz AQWKDXRXODTPKU-OAHLLOKOSA-N 2 0 279.453 2.842 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCCC12CCOCC2)C(C)C ZINC000337394133 393760730 /nfs/dbraw/zinc/76/07/30/393760730.db2.gz OQQACGAMQQWMEP-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411536144 393723946 /nfs/dbraw/zinc/72/39/46/393723946.db2.gz GRYYLGZYMOWKJW-HPFXQQBRSA-N 2 0 290.451 2.504 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000194956932 393724986 /nfs/dbraw/zinc/72/49/86/393724986.db2.gz OWHNLKLEZBAHNP-KKUMJFAQSA-N 2 0 256.434 2.512 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H]1CCCF)C1CC1 ZINC000338001298 393772517 /nfs/dbraw/zinc/77/25/17/393772517.db2.gz WKYBJFKRYIRFPF-UKRRQHHQSA-N 2 0 256.409 2.979 20 0 CFADRP CCN1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337993846 393772582 /nfs/dbraw/zinc/77/25/82/393772582.db2.gz TYLPTUDMGYFDAP-DZGCQCFKSA-N 2 0 256.409 2.979 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3OC2)CN1C1CC1 ZINC000338025719 393772688 /nfs/dbraw/zinc/77/26/88/393772688.db2.gz XKDMQVFAZQBGRA-FVQBIDKESA-N 2 0 286.419 2.595 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000229313059 393776851 /nfs/dbraw/zinc/77/68/51/393776851.db2.gz NRGRCWQBLWDVMN-PMPSAXMXSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000412979367 393777592 /nfs/dbraw/zinc/77/75/92/393777592.db2.gz UJJRIYWKMVFSPR-IAGOWNOFSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH2+][C@@H](CC(C)(C)C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424339939 393835820 /nfs/dbraw/zinc/83/58/20/393835820.db2.gz FJQRFCIIWRYRJM-NSHDSACASA-N 2 0 280.416 2.884 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000234743695 393783547 /nfs/dbraw/zinc/78/35/47/393783547.db2.gz QYMFJWJWJFFCGO-UKRRQHHQSA-N 2 0 294.439 2.945 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@H]1OC ZINC000414203648 393797591 /nfs/dbraw/zinc/79/75/91/393797591.db2.gz ZQAUKKPZGSQRDI-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CN(C)c1cc[nH+]cc1CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000424209842 393798217 /nfs/dbraw/zinc/79/82/17/393798217.db2.gz ZSXOMWSOWVQKPI-IRXDYDNUSA-N 2 0 285.366 2.875 20 0 CFADRP CC(C)COCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093513538 393800029 /nfs/dbraw/zinc/80/00/29/393800029.db2.gz XLRCKNGIKUVEGE-HOTGVXAUSA-N 2 0 270.461 2.950 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000414814683 393805512 /nfs/dbraw/zinc/80/55/12/393805512.db2.gz VXGAUOIAEMKSLH-ZDUSSCGKSA-N 2 0 266.388 2.963 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@H+](C)CCO)CC1)C1CCCCC1 ZINC000338973969 393807283 /nfs/dbraw/zinc/80/72/83/393807283.db2.gz METZLOYHWHPPBW-HNNXBMFYSA-N 2 0 282.472 2.591 20 0 CFADRP O[C@H](C[NH2+][C@@H](C1CCC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000424270481 393809361 /nfs/dbraw/zinc/80/93/61/393809361.db2.gz QOMGASMHXJNUPF-QZTJIDSGSA-N 2 0 294.483 2.782 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000415040235 393811198 /nfs/dbraw/zinc/81/11/98/393811198.db2.gz OSQWCYIEISCDIV-KXNHARMFSA-N 2 0 264.335 2.825 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)CC[NH2+]1 ZINC000415111981 393812374 /nfs/dbraw/zinc/81/23/74/393812374.db2.gz VCPPTVPNCAIHOY-INMHGKMJSA-N 2 0 290.451 2.724 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000415109574 393812503 /nfs/dbraw/zinc/81/25/03/393812503.db2.gz PSMYRUCJWAFITB-QGZVFWFLSA-N 2 0 278.415 2.982 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCN(C)c1ccccc1)CC[NH2+]CC2 ZINC000424285104 393814581 /nfs/dbraw/zinc/81/45/81/393814581.db2.gz FCYGMFWUVIFXPQ-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340227571 393838696 /nfs/dbraw/zinc/83/86/96/393838696.db2.gz BGCJTIPVISIWQQ-JENIJYKNSA-N 2 0 299.462 2.648 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000424321144 393826337 /nfs/dbraw/zinc/82/63/37/393826337.db2.gz IMDKOPPQSJNTHX-KGLIPLIRSA-N 2 0 298.471 2.674 20 0 CFADRP c1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868346 393867850 /nfs/dbraw/zinc/86/78/50/393867850.db2.gz KKUAZFWELPBBAM-DLBZAZTESA-N 2 0 258.409 2.836 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000106868511 393869020 /nfs/dbraw/zinc/86/90/20/393869020.db2.gz XFPAKYAJLLSZAC-IAGOWNOFSA-N 2 0 281.403 2.951 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000425357010 393877730 /nfs/dbraw/zinc/87/77/30/393877730.db2.gz PUJZNJYZLKTQRZ-BFHYXJOUSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC[N@@H+]1C ZINC000246790022 393884713 /nfs/dbraw/zinc/88/47/13/393884713.db2.gz ISYOJSWMHQVKFA-JGBPGKFQSA-N 2 0 270.420 2.645 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246925969 393889834 /nfs/dbraw/zinc/88/98/34/393889834.db2.gz GSFQVCWTEJDWRP-QLFBSQMISA-N 2 0 256.434 2.510 20 0 CFADRP CC[NH+](CCOCC[N@@H+](CC)C1CCC1)C1CCC1 ZINC000343764900 393890700 /nfs/dbraw/zinc/89/07/00/393890700.db2.gz HWQWAXNTCVIJGZ-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000247004429 393891788 /nfs/dbraw/zinc/89/17/88/393891788.db2.gz KWUZVPSSKSJEEA-ZACQAIPSSA-N 2 0 287.451 2.585 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCCCCC1 ZINC000471598822 393904352 /nfs/dbraw/zinc/90/43/52/393904352.db2.gz MEDBRQJKTAQMRV-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc[nH+]c2c(O)cccc12 ZINC000684577875 542830527 /nfs/dbraw/zinc/83/05/27/542830527.db2.gz ZUCUHIWFAOAEJM-ZDUSSCGKSA-N 2 0 285.391 2.718 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479133 393843573 /nfs/dbraw/zinc/84/35/73/393843573.db2.gz WHSDBFTUONQTFC-IKGGRYGDSA-N 3 0 281.488 2.571 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000246091520 393846994 /nfs/dbraw/zinc/84/69/94/393846994.db2.gz IPVZEMVTNVRXKF-BRSBDYLESA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000341300014 393852809 /nfs/dbraw/zinc/85/28/09/393852809.db2.gz LMZBWXGEAAEIQN-JKQORVJESA-N 2 0 282.472 2.779 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471772865 393914543 /nfs/dbraw/zinc/91/45/43/393914543.db2.gz QDZPFHJWQQHURL-GXTWGEPZSA-N 2 0 298.377 2.760 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000249675719 393924355 /nfs/dbraw/zinc/92/43/55/393924355.db2.gz XAZXRMOFBWXXOM-TXCZRRACSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H]1C[C@H]1[N@@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000429001090 393932544 /nfs/dbraw/zinc/93/25/44/393932544.db2.gz UFWHEXCXRHVGPM-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000346971299 393935836 /nfs/dbraw/zinc/93/58/36/393935836.db2.gz GTCNNGLLODNRKQ-KLHDSHLOSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000258901968 393945478 /nfs/dbraw/zinc/94/54/78/393945478.db2.gz DPLFNUPONZIKBE-UHFFFAOYSA-N 2 0 266.816 2.814 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474892388 393947593 /nfs/dbraw/zinc/94/75/93/393947593.db2.gz JGFUQMXEZPUVEK-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261582550 393948287 /nfs/dbraw/zinc/94/82/87/393948287.db2.gz GQTIFANTIMOQLU-DLBZAZTESA-N 2 0 258.409 2.994 20 0 CFADRP CC[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346133380 393920845 /nfs/dbraw/zinc/92/08/45/393920845.db2.gz MPHUFZUDKFMANC-HNNXBMFYSA-N 2 0 270.380 2.950 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121696027 393958663 /nfs/dbraw/zinc/95/86/63/393958663.db2.gz GBKFSVFIPLRWRF-TWMKSMIVSA-N 2 0 292.467 2.654 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C/C=C\c1ccncc1 ZINC000486974672 393976900 /nfs/dbraw/zinc/97/69/00/393976900.db2.gz SJTRDRXEICVVSF-OUOZUETKSA-N 2 0 273.424 2.949 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000266785194 393983476 /nfs/dbraw/zinc/98/34/76/393983476.db2.gz OCFQHWWRBASAPD-CYBMUJFWSA-N 2 0 294.464 2.516 20 0 CFADRP CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@H]1CCOC1 ZINC000123692742 393986578 /nfs/dbraw/zinc/98/65/78/393986578.db2.gz BSZDYXJZUZJAIT-DLBZAZTESA-N 2 0 276.424 2.653 20 0 CFADRP CC(C)(C[NH2+]C/C=C/c1ccncc1)C[NH+]1CCCC1 ZINC000487196731 393988284 /nfs/dbraw/zinc/98/82/84/393988284.db2.gz HVEKZFOTSOWXOW-AATRIKPKSA-N 2 0 273.424 2.806 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000430554985 393992476 /nfs/dbraw/zinc/99/24/76/393992476.db2.gz WVIDHJDCGPRRNB-KRWDZBQOSA-N 2 0 292.423 2.571 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000487281927 393994591 /nfs/dbraw/zinc/99/45/91/393994591.db2.gz TZQCWYHJOHJBHO-OLZOCXBDSA-N 2 0 258.475 2.696 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000430578730 393995709 /nfs/dbraw/zinc/99/57/09/393995709.db2.gz FNHFWDZFLUINGM-AEFFLSMTSA-N 2 0 290.451 2.695 20 0 CFADRP CCCOc1ccc(OCC[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430584128 393996872 /nfs/dbraw/zinc/99/68/72/393996872.db2.gz OFXUBAFLHLZYCX-KRWDZBQOSA-N 2 0 294.439 2.817 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000487319834 393998153 /nfs/dbraw/zinc/99/81/53/393998153.db2.gz HRHVREGZUNHJLL-FZZYSBJUSA-N 2 0 259.397 2.557 20 0 CFADRP [NH3+][C@H]1CCN(CCCOc2ccc3ccccc3c2)C1 ZINC000430602215 393998415 /nfs/dbraw/zinc/99/84/15/393998415.db2.gz GNAAOHKQHOFSKU-INIZCTEOSA-N 2 0 270.376 2.642 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC000487369913 394000331 /nfs/dbraw/zinc/00/03/31/394000331.db2.gz QIRQHAKTTJFTNH-UHFFFAOYSA-N 2 0 292.471 2.672 20 0 CFADRP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000125270471 394004588 /nfs/dbraw/zinc/00/45/88/394004588.db2.gz OFLNSCYGTXVJGK-GOSISDBHSA-N 2 0 293.499 2.670 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cnc(C3CC3)s2)CC1 ZINC000125280173 394005039 /nfs/dbraw/zinc/00/50/39/394005039.db2.gz QHFUXBZFHLVJBR-UHFFFAOYSA-N 2 0 279.453 2.937 20 0 CFADRP C[C@@H](CC[NH2+]C/C=C\c1ccncc1)[NH+]1CCCCC1 ZINC000487538708 394009325 /nfs/dbraw/zinc/00/93/25/394009325.db2.gz NMKPFOXDLUCQKJ-KJPDOMRESA-N 2 0 273.424 2.949 20 0 CFADRP CC(C)OCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272387121 394027045 /nfs/dbraw/zinc/02/70/45/394027045.db2.gz CIBBZYSWXVQBMS-AEFFLSMTSA-N 2 0 290.451 2.912 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000353964103 394038606 /nfs/dbraw/zinc/03/86/06/394038606.db2.gz ZKLVIRIOCKMWPE-VXGBXAGGSA-N 2 0 276.346 2.935 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000437085881 394046076 /nfs/dbraw/zinc/04/60/76/394046076.db2.gz IKFMPUWCTJFNIH-CZUORRHYSA-N 2 0 278.465 2.979 20 0 CFADRP C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc2c(s1)CCC2 ZINC000355108284 394057837 /nfs/dbraw/zinc/05/78/37/394057837.db2.gz AHANYQVSVMNKTB-YNEHKIRRSA-N 2 0 291.464 2.909 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCSCC1 ZINC000355135312 394058965 /nfs/dbraw/zinc/05/89/65/394058965.db2.gz PMAWVBAMUYLMHN-ZDUSSCGKSA-N 2 0 282.497 2.982 20 0 CFADRP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000278288530 394060747 /nfs/dbraw/zinc/06/07/47/394060747.db2.gz CLWZQVWONRZZQX-BETUJISGSA-N 2 0 285.366 2.680 20 0 CFADRP Fc1ccc2c(NCC[C@H]3CCC[NH2+]3)cc[nH+]c2c1 ZINC000420240134 394103396 /nfs/dbraw/zinc/10/33/96/394103396.db2.gz RARMUWSOSPCWMI-GFCCVEGCSA-N 2 0 259.328 2.928 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C1CCC([NH3+])CC1 ZINC000437775815 394073853 /nfs/dbraw/zinc/07/38/53/394073853.db2.gz POTBNTKTELLKLT-LMWSTFAQSA-N 2 0 252.427 2.929 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000437778116 394074409 /nfs/dbraw/zinc/07/44/09/394074409.db2.gz SWAZBBAIAIYWCD-UHFFFAOYSA-N 2 0 288.313 2.787 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000128763650 394075787 /nfs/dbraw/zinc/07/57/87/394075787.db2.gz NGLLPVYKOIKOGN-ZIAGYGMSSA-N 2 0 256.434 2.654 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)C1(C(=O)OC)CCC1 ZINC000353344345 394029639 /nfs/dbraw/zinc/02/96/39/394029639.db2.gz JAPGXACCUHHUHQ-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCO1 ZINC000353671616 394034375 /nfs/dbraw/zinc/03/43/75/394034375.db2.gz LCXTZAPGTRNGQE-UUAJXVIYSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CS1 ZINC000488447877 394037232 /nfs/dbraw/zinc/03/72/32/394037232.db2.gz KXSMJANLAZBJHM-IPYPFGDCSA-N 2 0 282.497 2.981 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cn1 ZINC000420276890 394113801 /nfs/dbraw/zinc/11/38/01/394113801.db2.gz SKAHLEOBCDFPQC-GWCFXTLKSA-N 2 0 287.329 2.802 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420282063 394115755 /nfs/dbraw/zinc/11/57/55/394115755.db2.gz AMBAIWUDCURTLE-HOCLYGCPSA-N 2 0 276.424 2.687 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000420309523 394116983 /nfs/dbraw/zinc/11/69/83/394116983.db2.gz UDVNYHSXOMVXQN-NUJGCVRESA-N 2 0 288.435 2.838 20 0 CFADRP C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000420307118 394117271 /nfs/dbraw/zinc/11/72/71/394117271.db2.gz RCHAPUMPLYIKSX-ZNMIVQPWSA-N 2 0 268.470 2.736 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000420391223 394119701 /nfs/dbraw/zinc/11/97/01/394119701.db2.gz ALPHJVRBSAVHKX-AXAPSJFSSA-N 2 0 262.372 2.730 20 0 CFADRP Cc1nc(C2([NH2+]CCC3CC[NH2+]CC3)CCCCC2)no1 ZINC000420383313 394119773 /nfs/dbraw/zinc/11/97/73/394119773.db2.gz ZFEWRVZKWNHVEA-UHFFFAOYSA-N 2 0 292.427 2.517 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)([NH+](C)C)C1 ZINC000131234856 394128431 /nfs/dbraw/zinc/12/84/31/394128431.db2.gz ODHAJKPVMOEKKK-VQHPVUNQSA-N 2 0 281.488 2.569 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCOC1 ZINC000359943864 394143331 /nfs/dbraw/zinc/14/33/31/394143331.db2.gz RGZUBUGLONPNIZ-IKGGRYGDSA-N 2 0 282.472 2.903 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000360147986 394146207 /nfs/dbraw/zinc/14/62/07/394146207.db2.gz IQFBWTWHIPVOJY-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447600641 394152670 /nfs/dbraw/zinc/15/26/70/394152670.db2.gz MRXWKYQGVYXHHF-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP COCC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000361317107 394170417 /nfs/dbraw/zinc/17/04/17/394170417.db2.gz XXPWIMNMVJJBEP-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422964692 394259882 /nfs/dbraw/zinc/25/98/82/394259882.db2.gz MNMUCQTXBXGKKB-SOUVJXGZSA-N 2 0 279.428 2.522 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)[C@H](C)C1 ZINC000363787288 394200669 /nfs/dbraw/zinc/20/06/69/394200669.db2.gz UIUDZVMUPUVEAO-PBHICJAKSA-N 2 0 298.434 2.897 20 0 CFADRP CCC(CC)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421378945 394210720 /nfs/dbraw/zinc/21/07/20/394210720.db2.gz UEEAAURLSZFPAV-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccncc2F)C1 ZINC000449084259 394214089 /nfs/dbraw/zinc/21/40/89/394214089.db2.gz XIWORPFAROUGMM-CQSZACIVSA-N 2 0 279.403 2.822 20 0 CFADRP CC[C@H](NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422831982 394256828 /nfs/dbraw/zinc/25/68/28/394256828.db2.gz XDBPBFIXSSWLQC-ROUUACIJSA-N 2 0 293.499 2.904 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCCC1 ZINC000449124663 394220888 /nfs/dbraw/zinc/22/08/88/394220888.db2.gz QLRMOHHKSZQKLI-IAGOWNOFSA-N 2 0 282.472 2.638 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2(CO)CCC2)CN1Cc1ccccc1 ZINC000364493471 394221076 /nfs/dbraw/zinc/22/10/76/394221076.db2.gz PESYYRBCSHMGOR-MRXNPFEDSA-N 2 0 288.435 2.544 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000449127099 394222031 /nfs/dbraw/zinc/22/20/31/394222031.db2.gz WEAXCHHGTDMNGH-SJLPKXTDSA-N 2 0 296.499 2.885 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422886036 394257365 /nfs/dbraw/zinc/25/73/65/394257365.db2.gz VSTTZUWEJISHKK-ULQDDVLXSA-N 3 0 281.488 2.619 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCCC1 ZINC000449133618 394224593 /nfs/dbraw/zinc/22/45/93/394224593.db2.gz YYSZTYWRHMAEFX-SFHVURJKSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1n1ccnc1 ZINC000136091482 394229303 /nfs/dbraw/zinc/22/93/03/394229303.db2.gz FPTNYZLYRAQKGB-ZBFHGGJFSA-N 2 0 255.365 2.966 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCF)CC1 ZINC000136504554 394234893 /nfs/dbraw/zinc/23/48/93/394234893.db2.gz GWDQPTBDRNPNCS-UHFFFAOYSA-N 2 0 293.430 2.668 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422945937 394258662 /nfs/dbraw/zinc/25/86/62/394258662.db2.gz NWXFJSAJQBHBIN-XUJVJEKNSA-N 2 0 262.397 2.788 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000137956578 394241270 /nfs/dbraw/zinc/24/12/70/394241270.db2.gz BHKMIBBWXFESEJ-HNNXBMFYSA-N 2 0 278.444 2.516 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421827223 394245526 /nfs/dbraw/zinc/24/55/26/394245526.db2.gz WVUDDCQVNHAUSD-DOTOQJQBSA-N 2 0 287.451 2.651 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421840451 394246302 /nfs/dbraw/zinc/24/63/02/394246302.db2.gz ZEHSRFRDXZHIGG-YESZJQIVSA-N 2 0 287.451 2.791 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449186112 394246396 /nfs/dbraw/zinc/24/63/96/394246396.db2.gz HKRVPZFDBWUFNQ-HNNXBMFYSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCC1 ZINC000449188680 394247193 /nfs/dbraw/zinc/24/71/93/394247193.db2.gz NYMRFSACLMOHHZ-RCCFBDPRSA-N 2 0 294.483 2.923 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCc2cccnc2CC1)C1CC1 ZINC000421854899 394247168 /nfs/dbraw/zinc/24/71/68/394247168.db2.gz LLQLDNMOOTYCAR-MRXNPFEDSA-N 2 0 287.451 2.793 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422912132 394259253 /nfs/dbraw/zinc/25/92/53/394259253.db2.gz VNEVYQQLCIHRNH-RDJZCZTQSA-N 3 0 281.488 2.748 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449192997 394247942 /nfs/dbraw/zinc/24/79/42/394247942.db2.gz SBUHXDOIVDFHMA-CQSZACIVSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@H]1C[NH3+] ZINC000422563436 394252696 /nfs/dbraw/zinc/25/26/96/394252696.db2.gz SWJUMVMAYRTVOH-DVOMOZLQSA-N 2 0 299.418 2.746 20 0 CFADRP CC[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422749346 394254270 /nfs/dbraw/zinc/25/42/70/394254270.db2.gz YSIUQRPVBOWKRJ-DUVNUKRYSA-N 2 0 260.381 2.630 20 0 CFADRP CSCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768958 394255155 /nfs/dbraw/zinc/25/51/55/394255155.db2.gz ZTSYXVHOAMAELC-GDBMZVCRSA-N 2 0 292.448 2.585 20 0 CFADRP CC1(C)CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422783128 394255181 /nfs/dbraw/zinc/25/51/81/394255181.db2.gz MSZNJGPIXGTLLE-BZUAXINKSA-N 2 0 280.456 2.702 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CC2 ZINC000422956111 394260327 /nfs/dbraw/zinc/26/03/27/394260327.db2.gz KQVWCTQWUFDPGE-FRFSOERESA-N 2 0 258.409 2.960 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000423032783 394260674 /nfs/dbraw/zinc/26/06/74/394260674.db2.gz NDIGWXCUCFDTRX-KFZJALRRSA-N 2 0 274.408 2.926 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000423042352 394262379 /nfs/dbraw/zinc/26/23/79/394262379.db2.gz KSSXNYHNBUWVCI-WCVJEAGWSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000423038308 394262390 /nfs/dbraw/zinc/26/23/90/394262390.db2.gz YHPHQFWKRWPZQF-WMLDXEAASA-N 2 0 286.423 2.617 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423072216 394263206 /nfs/dbraw/zinc/26/32/06/394263206.db2.gz PKMXVGJYCPFIAX-CABCVRRESA-N 2 0 270.461 2.828 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)(C)O ZINC000423079608 394265122 /nfs/dbraw/zinc/26/51/22/394265122.db2.gz QZSGOMHHCYICIL-ILXRZTDVSA-N 2 0 270.461 2.682 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000423077856 394265363 /nfs/dbraw/zinc/26/53/63/394265363.db2.gz NAEKCBARTOKKEA-ILXRZTDVSA-N 2 0 262.397 2.516 20 0 CFADRP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423076566 394265529 /nfs/dbraw/zinc/26/55/29/394265529.db2.gz ZGQWHVUSABJBQJ-LZQZEXGQSA-N 2 0 296.414 2.633 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000423086836 394267203 /nfs/dbraw/zinc/26/72/03/394267203.db2.gz MNTSROJOQPEZFQ-ZLPCBKJTSA-N 2 0 290.451 2.650 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423088153 394268249 /nfs/dbraw/zinc/26/82/49/394268249.db2.gz RAYQHHPUQGNJNA-WQVCFCJDSA-N 2 0 262.372 2.920 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCC1 ZINC000423087886 394268613 /nfs/dbraw/zinc/26/86/13/394268613.db2.gz OXGDPCHCJCSDIC-LLVKDONJSA-N 2 0 279.453 2.785 20 0 CFADRP CC1CCC(C)(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423088005 394268808 /nfs/dbraw/zinc/26/88/08/394268808.db2.gz QURGZUWGPUEZRO-YZMJHREJSA-N 2 0 294.483 2.950 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000423088617 394268841 /nfs/dbraw/zinc/26/88/41/394268841.db2.gz SKAMITFJMREKQA-DLBZAZTESA-N 2 0 267.376 2.667 20 0 CFADRP CCCC(O)(CCC)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000152049733 394269286 /nfs/dbraw/zinc/26/92/86/394269286.db2.gz RIPRZYFGWKFDIC-UHFFFAOYSA-N 2 0 270.461 2.780 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423090052 394269851 /nfs/dbraw/zinc/26/98/51/394269851.db2.gz WPSBGDKDFJHBCP-NXHRZFHOSA-N 2 0 290.451 2.754 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093456 394270673 /nfs/dbraw/zinc/27/06/73/394270673.db2.gz HNRVBZZUMQCZCL-BPQIPLTHSA-N 2 0 293.499 2.761 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423151023 394271944 /nfs/dbraw/zinc/27/19/44/394271944.db2.gz ZPKIWEDKXNIYOU-BLLLJJGKSA-N 2 0 280.387 2.547 20 0 CFADRP CC1(C)CCC[N@@H+]1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423161299 394271975 /nfs/dbraw/zinc/27/19/75/394271975.db2.gz IRLLHDVPCNTAAK-JKSUJKDBSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H](C)O1 ZINC000423196337 394272683 /nfs/dbraw/zinc/27/26/83/394272683.db2.gz ZPEAODYIHUJZST-UPBMQRFZSA-N 2 0 260.381 2.534 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCCF ZINC000368501452 394273011 /nfs/dbraw/zinc/27/30/11/394273011.db2.gz BANASGGRQRPXNE-BZUAXINKSA-N 2 0 286.435 2.605 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000423289054 394276155 /nfs/dbraw/zinc/27/61/55/394276155.db2.gz VXSIOKBNXSTKMQ-KGLIPLIRSA-N 2 0 278.444 2.553 20 0 CFADRP CC[C@@](C)(C[NH2+]C1CC[NH+](C2CCCC2)CC1)OC ZINC000449479472 394278143 /nfs/dbraw/zinc/27/81/43/394278143.db2.gz VCSWFDINXNQWKB-INIZCTEOSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCC[NH3+])CCCO2 ZINC000423446390 394282478 /nfs/dbraw/zinc/28/24/78/394282478.db2.gz CNWBUWITGSFAJE-DZGCQCFKSA-N 2 0 262.397 2.926 20 0 CFADRP C1[C@@H]([NH2+]C(C2CCC2)C2CCC2)[C@@H]1C1CC[NH2+]CC1 ZINC000423451578 394282489 /nfs/dbraw/zinc/28/24/89/394282489.db2.gz YGYFGICEQBTVNE-JKSUJKDBSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423454441 394282500 /nfs/dbraw/zinc/28/25/00/394282500.db2.gz YZMOTFSRJYPUOL-XUJVJEKNSA-N 2 0 252.377 2.718 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000293346549 394282598 /nfs/dbraw/zinc/28/25/98/394282598.db2.gz GSZLWABKUZYINX-CZUORRHYSA-N 2 0 264.413 2.934 20 0 CFADRP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449639439 394282947 /nfs/dbraw/zinc/28/29/47/394282947.db2.gz OWVCMPKLUSAHCO-IAGOWNOFSA-N 2 0 282.472 2.923 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cnn1C(C)(C)C ZINC000423508610 394285445 /nfs/dbraw/zinc/28/54/45/394285445.db2.gz NRJYYNILHZSGLD-IACUBPJLSA-N 2 0 278.444 2.725 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423516920 394288520 /nfs/dbraw/zinc/28/85/20/394288520.db2.gz UFVLQCTYIIKHEB-HCKVZZMMSA-N 2 0 278.371 2.539 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cccs1 ZINC000153753373 394291607 /nfs/dbraw/zinc/29/16/07/394291607.db2.gz ZRLOTVNEIJCPMX-ZDUSSCGKSA-N 2 0 270.442 2.757 20 0 CFADRP COC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423543661 394294761 /nfs/dbraw/zinc/29/47/61/394294761.db2.gz VDPPWOOHILVIJR-MRXNPFEDSA-N 2 0 294.826 2.927 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)COC2 ZINC000423541368 394294951 /nfs/dbraw/zinc/29/49/51/394294951.db2.gz KRHKHQGDVXOUOL-BMGTVUPLSA-N 2 0 286.419 2.756 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423546096 394295607 /nfs/dbraw/zinc/29/56/07/394295607.db2.gz KENRVBSPNBVYGB-NUUXYWTLSA-N 3 0 293.499 2.760 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1F ZINC000423551884 394296626 /nfs/dbraw/zinc/29/66/26/394296626.db2.gz UPNMXWLLTNKCJF-SPWCGHHHSA-N 2 0 292.398 2.873 20 0 CFADRP c1cncc([C@@H]([NH2+]CCC[NH2+]C2CC2)C2CCC2)c1 ZINC000423555237 394297382 /nfs/dbraw/zinc/29/73/82/394297382.db2.gz MCPFDZPWMMUYLG-INIZCTEOSA-N 2 0 259.397 2.655 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC000423566274 394297678 /nfs/dbraw/zinc/29/76/78/394297678.db2.gz TYRAFDYRWWGTEF-ARFHVFGLSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000371480553 394301195 /nfs/dbraw/zinc/30/11/95/394301195.db2.gz PCTJROSUZGRWFG-SPUZQDLCSA-N 2 0 288.435 2.837 20 0 CFADRP CN(CC[N@H+](C)CCC1=CCCCC1)C1CC[NH+](C)CC1 ZINC000450626047 394302428 /nfs/dbraw/zinc/30/24/28/394302428.db2.gz FGHOUIJCCTWEHQ-UHFFFAOYSA-N 2 0 293.499 2.835 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000423792122 394320254 /nfs/dbraw/zinc/32/02/54/394320254.db2.gz VIBIGGYAZBWFME-UHFFFAOYSA-N 2 0 289.423 2.657 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000423796275 394321258 /nfs/dbraw/zinc/32/12/58/394321258.db2.gz ZVISZTYKJKEWGE-KRWDZBQOSA-N 2 0 289.423 2.527 20 0 CFADRP CC(C)[NH+](CCCN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C(C)C ZINC000155825372 394323708 /nfs/dbraw/zinc/32/37/08/394323708.db2.gz XJWLSNFDPJPSSN-ZACQAIPSSA-N 2 0 283.504 2.814 20 0 CFADRP CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451021095 394347661 /nfs/dbraw/zinc/34/76/61/394347661.db2.gz BDKMDFIYQWDXSF-KBPBESRZSA-N 2 0 277.412 2.789 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000158222723 394356249 /nfs/dbraw/zinc/35/62/49/394356249.db2.gz HQFYPOBSXGTKHX-KBPBESRZSA-N 2 0 293.430 2.884 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cn[nH]c1 ZINC000494706952 394361803 /nfs/dbraw/zinc/36/18/03/394361803.db2.gz HQYHTTQNEDRRHX-AWEZNQCLSA-N 2 0 264.417 2.717 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000163584113 394369134 /nfs/dbraw/zinc/36/91/34/394369134.db2.gz GCZPWEBGUWZLEE-AEFFLSMTSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000163888034 394369203 /nfs/dbraw/zinc/36/92/03/394369203.db2.gz REWMDOCPPHVWHP-WFASDCNBSA-N 2 0 287.382 2.791 20 0 CFADRP Cc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccn1 ZINC000527632113 394393107 /nfs/dbraw/zinc/39/31/07/394393107.db2.gz PVUWGNWJYOTTIW-UHFFFAOYSA-N 2 0 261.413 2.789 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453387100 394394369 /nfs/dbraw/zinc/39/43/69/394394369.db2.gz AVKBFGQFAWIBNF-CQSZACIVSA-N 2 0 278.444 2.989 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453316225 394384837 /nfs/dbraw/zinc/38/48/37/394384837.db2.gz JUQITGYYGUDGBE-KLHDSHLOSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453316223 394384900 /nfs/dbraw/zinc/38/49/00/394384900.db2.gz JUQITGYYGUDGBE-FPCVCCKLSA-N 2 0 280.456 2.654 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)COC ZINC000527361312 394385422 /nfs/dbraw/zinc/38/54/22/394385422.db2.gz QGQLRCFUUVOBSJ-HRCADAONSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000089215367 135058221 /nfs/dbraw/zinc/05/82/21/135058221.db2.gz RZICMZVOAZXEBF-ZDUSSCGKSA-N 2 0 259.397 2.686 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cs1 ZINC000453407614 394398944 /nfs/dbraw/zinc/39/89/44/394398944.db2.gz SDQQGXIUPVWAPA-LLVKDONJSA-N 2 0 267.442 2.977 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c1 ZINC000453411627 394399855 /nfs/dbraw/zinc/39/98/55/394399855.db2.gz VTASNWSEOBIIQN-CQSZACIVSA-N 2 0 261.413 2.915 20 0 CFADRP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCN1C1CCCC1 ZINC000528003665 394437775 /nfs/dbraw/zinc/43/77/75/394437775.db2.gz UHAQWTIHJNZKIV-CVEARBPZSA-N 2 0 278.440 2.552 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000529565376 394410883 /nfs/dbraw/zinc/41/08/83/394410883.db2.gz IFLNFGRIJAYURZ-VXGBXAGGSA-N 2 0 260.372 2.740 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC12CC2 ZINC000527871993 394419498 /nfs/dbraw/zinc/41/94/98/394419498.db2.gz KVJPXSILXWHOBB-QMCVQRASSA-N 2 0 292.467 2.533 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H]2CCC[C@@H]21 ZINC000527921687 394425694 /nfs/dbraw/zinc/42/56/94/394425694.db2.gz PHPJTAPGCHQCJD-XDKXFUCDSA-N 2 0 262.441 2.885 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207869 394479997 /nfs/dbraw/zinc/47/99/97/394479997.db2.gz DXOOPSUXXWXLIN-ZLIFDBKOSA-N 2 0 280.456 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530210025 394480659 /nfs/dbraw/zinc/48/06/59/394480659.db2.gz KHFSHLZNQNGCDK-JWYNJWGYSA-N 2 0 272.436 2.971 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530210997 394481744 /nfs/dbraw/zinc/48/17/44/394481744.db2.gz KWOAYJVXDZBXAC-ZWKOTPCHSA-N 2 0 272.436 2.899 20 0 CFADRP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000530225319 394489985 /nfs/dbraw/zinc/48/99/85/394489985.db2.gz VOCRAWQKLGXFDC-ICIURTGMSA-N 2 0 270.367 2.638 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000530226899 394491336 /nfs/dbraw/zinc/49/13/36/394491336.db2.gz ZNDIUFFLMDATFE-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249660 394496575 /nfs/dbraw/zinc/49/65/75/394496575.db2.gz XKAJBXTUNHLVIG-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000530249049 394496804 /nfs/dbraw/zinc/49/68/04/394496804.db2.gz SYYNPGKUEBPLLM-ZBFHGGJFSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1cc(C)c(CC[NH2+][C@H]2CN(C)C[C@@H]2C)c(C)c1 ZINC000536829402 394571519 /nfs/dbraw/zinc/57/15/19/394571519.db2.gz YYYARIHWSBXSPJ-RDJZCZTQSA-N 2 0 260.425 2.694 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000536854639 394572243 /nfs/dbraw/zinc/57/22/43/394572243.db2.gz ZAHLHZGIJCCDOW-XLNGHYISSA-N 2 0 280.456 2.533 20 0 CFADRP COC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000536839034 394572445 /nfs/dbraw/zinc/57/24/45/394572445.db2.gz MZSQSQWILNPUPN-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000530443215 394518117 /nfs/dbraw/zinc/51/81/17/394518117.db2.gz FOXZOUWDYDARRO-SFHVURJKSA-N 2 0 296.499 2.980 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000539405778 394625489 /nfs/dbraw/zinc/62/54/89/394625489.db2.gz LTPHRPXTCZEENQ-KRWDZBQOSA-N 2 0 295.515 2.913 20 0 CFADRP COCCCN(C)CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000541542530 394675444 /nfs/dbraw/zinc/67/54/44/394675444.db2.gz NXGGFQFVEREEKA-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1 ZINC000544847271 394772200 /nfs/dbraw/zinc/77/22/00/394772200.db2.gz LHBIEXLZBYEHTC-ZIAGYGMSSA-N 2 0 269.392 2.860 20 0 CFADRP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166126566 542951228 /nfs/dbraw/zinc/95/12/28/542951228.db2.gz TVJZOPDUSUWVSN-ZWKOTPCHSA-N 2 0 288.435 2.940 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000556099443 394990026 /nfs/dbraw/zinc/99/00/26/394990026.db2.gz NGGQGJWKEZNRLO-KRWDZBQOSA-N 2 0 293.499 2.571 20 0 CFADRP CCc1noc(CC)c1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000167004086 542968073 /nfs/dbraw/zinc/96/80/73/542968073.db2.gz DKWITHXSIJHAKY-LBPRGKRZSA-N 2 0 279.428 2.619 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000556871099 395022545 /nfs/dbraw/zinc/02/25/45/395022545.db2.gz SHIZYJPTJKVMSD-MSOLQXFVSA-N 2 0 293.499 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000556892599 395023544 /nfs/dbraw/zinc/02/35/44/395023544.db2.gz KVRURSMKIOJKKB-KKUMJFAQSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000556892602 395024501 /nfs/dbraw/zinc/02/45/01/395024501.db2.gz KVRURSMKIOJKKB-SOUVJXGZSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3(C)CC3)CC2)C[C@H](C)O1 ZINC000555595034 394977421 /nfs/dbraw/zinc/97/74/21/394977421.db2.gz BFNYGVOIRVCGFG-HOTGVXAUSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000558711876 395073252 /nfs/dbraw/zinc/07/32/52/395073252.db2.gz NHJZUKGROJJKAK-ZBFHGGJFSA-N 2 0 268.445 2.606 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648428435 395139570 /nfs/dbraw/zinc/13/95/70/395139570.db2.gz OSEUOVFSYYMIGN-YJBOKZPZSA-N 2 0 272.436 2.865 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)CCO1 ZINC000648415471 395133784 /nfs/dbraw/zinc/13/37/84/395133784.db2.gz DXRJILRAYYKOOP-HZPDHXFCSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000648416018 395135081 /nfs/dbraw/zinc/13/50/81/395135081.db2.gz FPBSCAHZEKJSSL-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CCO1 ZINC000648519070 395183194 /nfs/dbraw/zinc/18/31/94/395183194.db2.gz UQVLVRZDWJPDCJ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)CO1 ZINC000647186443 395208387 /nfs/dbraw/zinc/20/83/87/395208387.db2.gz MSWIHVANQANVPQ-HOSILWTGSA-N 2 0 294.464 2.898 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H](C)C1 ZINC000648817843 395325149 /nfs/dbraw/zinc/32/51/49/395325149.db2.gz DOLOFRQIQQFWHA-ABXWRUBCSA-N 2 0 290.398 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@@H](C)C1 ZINC000647349149 395308790 /nfs/dbraw/zinc/30/87/90/395308790.db2.gz AXJYGQWJSREMPG-PPWQZUPISA-N 2 0 256.409 2.835 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249256 395256543 /nfs/dbraw/zinc/25/65/43/395256543.db2.gz NZKFJXLXSAOXKY-NXHRZFHOSA-N 2 0 290.451 2.735 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647287535 395272283 /nfs/dbraw/zinc/27/22/83/395272283.db2.gz JYRXOSSFCCLRRL-AWEZNQCLSA-N 2 0 290.455 2.602 20 0 CFADRP COc1ccccc1/C=C\C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482846 395354994 /nfs/dbraw/zinc/35/49/94/395354994.db2.gz CLNSGTKZEYIEBI-XQRVVYSFSA-N 2 0 286.419 2.925 20 0 CFADRP c1cnn(-c2cccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2)c1 ZINC000647483082 395357534 /nfs/dbraw/zinc/35/75/34/395357534.db2.gz XRQUYNWYPIPMCR-UHFFFAOYSA-N 2 0 296.418 2.589 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647492168 395358702 /nfs/dbraw/zinc/35/87/02/395358702.db2.gz KVGQRMFWJITDHG-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@@H](C)Oc1cc(CN(C)[C@@H](C)C[NH3+])ccc1OC ZINC000647496031 395359121 /nfs/dbraw/zinc/35/91/21/395359121.db2.gz FKJJULVNKWYYQI-QWHCGFSZSA-N 2 0 280.412 2.652 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000647491735 395359139 /nfs/dbraw/zinc/35/91/39/395359139.db2.gz HZXIEVZTPXSKRD-NSHDSACASA-N 2 0 279.453 2.581 20 0 CFADRP CC[C@H](C)Oc1cc(C[N@H+](C)CCC[NH3+])ccc1OC ZINC000647497421 395359898 /nfs/dbraw/zinc/35/98/98/395359898.db2.gz GYELMFJLDKRXPY-ZDUSSCGKSA-N 2 0 280.412 2.653 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H](C)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647497597 395360023 /nfs/dbraw/zinc/36/00/23/395360023.db2.gz NMCFJMKCKQZBFM-IOASZLSFSA-N 2 0 264.388 2.988 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H](C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647497599 395360076 /nfs/dbraw/zinc/36/00/76/395360076.db2.gz NMCFJMKCKQZBFM-XJKCOSOUSA-N 2 0 264.388 2.988 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nccc4ccccc43)C[C@H]21 ZINC000647511987 395366732 /nfs/dbraw/zinc/36/67/32/395366732.db2.gz XHLDQGFLIUGEKP-DJIMGWMZSA-N 2 0 281.403 2.794 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000647506599 395367358 /nfs/dbraw/zinc/36/73/58/395367358.db2.gz UYNPCVIILGOSCG-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP c1ccc([C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCS2)cc1 ZINC000647516349 395371190 /nfs/dbraw/zinc/37/11/90/395371190.db2.gz HGARRZHYLPNNDZ-GOEBONIOSA-N 2 0 276.449 2.776 20 0 CFADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000647518190 395372707 /nfs/dbraw/zinc/37/27/07/395372707.db2.gz MMNXPBKGQJLGNW-FUHWJXTLSA-N 2 0 287.451 2.717 20 0 CFADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000647518189 395372965 /nfs/dbraw/zinc/37/29/65/395372965.db2.gz MMNXPBKGQJLGNW-AEFFLSMTSA-N 2 0 287.451 2.717 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647535763 395380697 /nfs/dbraw/zinc/38/06/97/395380697.db2.gz JEDUHXRNBMOAET-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC[NH2+]C1 ZINC000647537833 395380759 /nfs/dbraw/zinc/38/07/59/395380759.db2.gz OUBIOAATEAZNIY-HZPDHXFCSA-N 2 0 260.381 2.529 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC[NH2+]C1 ZINC000647537831 395380873 /nfs/dbraw/zinc/38/08/73/395380873.db2.gz OUBIOAATEAZNIY-CVEARBPZSA-N 2 0 260.381 2.529 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543648 395385764 /nfs/dbraw/zinc/38/57/64/395385764.db2.gz QVKBSKLCKULCGY-SJORKVTESA-N 2 0 288.435 2.907 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647546472 395386841 /nfs/dbraw/zinc/38/68/41/395386841.db2.gz LXXINDHIKXBHJV-YQQAZPJKSA-N 2 0 273.424 2.596 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000647548486 395386870 /nfs/dbraw/zinc/38/68/70/395386870.db2.gz CVIQRFPVPGDTJY-IXDOHACOSA-N 2 0 294.483 2.951 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647547371 395386980 /nfs/dbraw/zinc/38/69/80/395386980.db2.gz UPFWHPCZZCDPJW-KMCQBPLKSA-N 2 0 285.435 2.624 20 0 CFADRP c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCCN2 ZINC000647546995 395387512 /nfs/dbraw/zinc/38/75/12/395387512.db2.gz JRUKRQVBKUAOLS-BRWVUGGUSA-N 2 0 285.435 2.522 20 0 CFADRP Clc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549296 395388408 /nfs/dbraw/zinc/38/84/08/395388408.db2.gz RAYYBWJJCZAPIC-RRFJBIMHSA-N 2 0 278.827 2.860 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1cccs1 ZINC000647550350 395389077 /nfs/dbraw/zinc/38/90/77/395389077.db2.gz MPVWTWGJGZGYOI-ZQDZILKHSA-N 2 0 278.465 2.904 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C ZINC000647550565 395389445 /nfs/dbraw/zinc/38/94/45/395389445.db2.gz YOHHTPBHGNYBFK-BRWVUGGUSA-N 2 0 288.435 2.524 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000647549893 395389499 /nfs/dbraw/zinc/38/94/99/395389499.db2.gz WOOIETBCVCBPIG-SPUZQDLCSA-N 2 0 287.451 2.799 20 0 CFADRP Cc1ccc(C[N@@H+](CC2CC2)C[C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000647552677 395390440 /nfs/dbraw/zinc/39/04/40/395390440.db2.gz QKFLTZBFVVXXKX-WBVHZDCISA-N 2 0 287.451 2.990 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647551688 395390479 /nfs/dbraw/zinc/39/04/79/395390479.db2.gz CHKTXNWUSNMTAQ-SQWLQELKSA-N 2 0 287.451 2.857 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647551685 395390659 /nfs/dbraw/zinc/39/06/59/395390659.db2.gz CHKTXNWUSNMTAQ-IIAWOOMASA-N 2 0 287.451 2.857 20 0 CFADRP Cc1ccccc1C1([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000647552474 395391013 /nfs/dbraw/zinc/39/10/13/395391013.db2.gz APAFLMWHOLKACH-GJZGRUSLSA-N 2 0 258.409 2.962 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647551418 395391049 /nfs/dbraw/zinc/39/10/49/395391049.db2.gz NHMTYRFHMCXPLZ-RBSFLKMASA-N 2 0 276.449 2.886 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000647552774 395392126 /nfs/dbraw/zinc/39/21/26/395392126.db2.gz WLZIVZOQUYJODB-NXEZZACHSA-N 2 0 276.302 2.801 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000648851215 395338144 /nfs/dbraw/zinc/33/81/44/395338144.db2.gz XYAPHCXYRGZMSW-OAHLLOKOSA-N 2 0 283.504 2.674 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c1)NCC2 ZINC000647479577 395352867 /nfs/dbraw/zinc/35/28/67/395352867.db2.gz LXUBIFCGOGWNCF-DOTOQJQBSA-N 2 0 285.435 2.619 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000647868539 395447649 /nfs/dbraw/zinc/44/76/49/395447649.db2.gz FZCIDKCQECWLMJ-INIZCTEOSA-N 2 0 264.413 2.645 20 0 CFADRP C[C@@H](C[N@H+](C)CCCC1CC[NH2+]CC1)c1nccs1 ZINC000647989195 395473400 /nfs/dbraw/zinc/47/34/00/395473400.db2.gz WEWFEXWEKMMLPY-ZDUSSCGKSA-N 2 0 281.469 2.958 20 0 CFADRP c1ccc(CC[C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647876115 395449072 /nfs/dbraw/zinc/44/90/72/395449072.db2.gz QDQHTISPWGLJDM-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP CC[N@H+](CCCC1CC[NH2+]CC1)CCc1nccs1 ZINC000647989645 395473513 /nfs/dbraw/zinc/47/35/13/395473513.db2.gz RMNPXJZJYAIWDF-UHFFFAOYSA-N 2 0 281.469 2.787 20 0 CFADRP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000647880934 395450798 /nfs/dbraw/zinc/45/07/98/395450798.db2.gz HLGYMVQPZJDHNR-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000647880937 395450810 /nfs/dbraw/zinc/45/08/10/395450810.db2.gz HLGYMVQPZJDHNR-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)C1Cc2ccccc2C1 ZINC000647881616 395451330 /nfs/dbraw/zinc/45/13/30/395451330.db2.gz UMSMSORKZIGHHM-UHFFFAOYSA-N 2 0 272.436 2.865 20 0 CFADRP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647883458 395451555 /nfs/dbraw/zinc/45/15/55/395451555.db2.gz SDQLEKBXYCKFAA-ZWKOTPCHSA-N 2 0 272.436 2.859 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647886021 395453382 /nfs/dbraw/zinc/45/33/82/395453382.db2.gz FQSQUOSFLSPIAH-OCCSQVGLSA-N 2 0 266.816 2.812 20 0 CFADRP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647890108 395453950 /nfs/dbraw/zinc/45/39/50/395453950.db2.gz QMUJKWOJSGERGU-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CC[NH2+]C1 ZINC000647889998 395453980 /nfs/dbraw/zinc/45/39/80/395453980.db2.gz DQJAGJYKXXTFMH-IRXDYDNUSA-N 2 0 260.425 2.939 20 0 CFADRP Fc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000647892201 395454903 /nfs/dbraw/zinc/45/49/03/395454903.db2.gz BLPFQUCMPNVLME-BLLLJJGKSA-N 2 0 262.372 2.866 20 0 CFADRP Fc1cccc2c1C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647988807 395473797 /nfs/dbraw/zinc/47/37/97/395473797.db2.gz PZSYKZPOEWNESZ-UHFFFAOYSA-N 2 0 276.399 2.964 20 0 CFADRP Cc1ccc(C)c(OCCC[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647926708 395459397 /nfs/dbraw/zinc/45/93/97/395459397.db2.gz JOHHZRGLCAQECJ-UHFFFAOYSA-N 2 0 276.424 2.886 20 0 CFADRP Cc1cc(C)cc(OCCC[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647926930 395459440 /nfs/dbraw/zinc/45/94/40/395459440.db2.gz SDYSGRABJSWGNX-UHFFFAOYSA-N 2 0 276.424 2.886 20 0 CFADRP Cc1ccc(NC(=O)CCC(C)(C)[NH3+])c(C[NH+](C)C)c1 ZINC000649334895 395474143 /nfs/dbraw/zinc/47/41/43/395474143.db2.gz VGQYWYKEGRBSHM-UHFFFAOYSA-N 2 0 277.412 2.513 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCC(F)(F)F)CC[C@H]1[NH3+] ZINC000647934681 395460765 /nfs/dbraw/zinc/46/07/65/395460765.db2.gz MHZPDBFXGIUCMS-GHMZBOCLSA-N 2 0 252.324 2.778 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccccc2OC)CC[C@H]1[NH3+] ZINC000647935091 395461449 /nfs/dbraw/zinc/46/14/49/395461449.db2.gz ZEACNRSYUDPDQL-GOEBONIOSA-N 2 0 276.424 2.687 20 0 CFADRP Cn1nccc1[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647991704 395474380 /nfs/dbraw/zinc/47/43/80/395474380.db2.gz ZYPMHZYLBJLFGN-QGZVFWFLSA-N 2 0 290.455 2.727 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCCc1ccccc1 ZINC000647958915 395465449 /nfs/dbraw/zinc/46/54/49/395465449.db2.gz LVUBBBFHOCONLO-GOSISDBHSA-N 2 0 292.467 2.642 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647959929 395466801 /nfs/dbraw/zinc/46/68/01/395466801.db2.gz VFNRMMRXECNPDV-WMZOPIPTSA-N 2 0 290.451 2.833 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000647977539 395471525 /nfs/dbraw/zinc/47/15/25/395471525.db2.gz DCDABEHOIXQPSZ-IXDOHACOSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978117 395471657 /nfs/dbraw/zinc/47/16/57/395471657.db2.gz MZMCFVICOREAKS-IAGOWNOFSA-N 2 0 282.472 2.761 20 0 CFADRP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647786189 395427877 /nfs/dbraw/zinc/42/78/77/395427877.db2.gz JYPSPOOHTKLAKP-YNEHKIRRSA-N 2 0 293.480 2.918 20 0 CFADRP CCCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786107 395427908 /nfs/dbraw/zinc/42/79/08/395427908.db2.gz IEJRXTNNOZCMHP-BSDSXHPESA-N 2 0 293.499 2.619 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786356 395428099 /nfs/dbraw/zinc/42/80/99/395428099.db2.gz NNDRKBOMVHTZKL-IXDOHACOSA-N 2 0 288.435 2.524 20 0 CFADRP C(COC1CCCCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786691 395428108 /nfs/dbraw/zinc/42/81/08/395428108.db2.gz WILNKDGZCRBZJR-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647790090 395429513 /nfs/dbraw/zinc/42/95/13/395429513.db2.gz RGHGTHJJHABDSQ-ZJIFWQFVSA-N 2 0 286.419 2.530 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791434 395429710 /nfs/dbraw/zinc/42/97/10/395429710.db2.gz CWMYQDZYCOAVMD-QSPRXWTASA-N 2 0 288.435 2.604 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1F ZINC000647793756 395430443 /nfs/dbraw/zinc/43/04/43/395430443.db2.gz HFXFIQPOXGWXSY-FRRDWIJNSA-N 2 0 298.352 2.624 20 0 CFADRP Fc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(F)c1F ZINC000647793690 395430511 /nfs/dbraw/zinc/43/05/11/395430511.db2.gz FJKLOXDDYHOMBN-YNEHKIRRSA-N 2 0 298.352 2.624 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647792145 395430633 /nfs/dbraw/zinc/43/06/33/395430633.db2.gz UNFHEJUJKIBFIW-MPTYRVRUSA-N 2 0 286.419 2.715 20 0 CFADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647795294 395432197 /nfs/dbraw/zinc/43/21/97/395432197.db2.gz MYXBUNPSDDNAOC-IATRGZMQSA-N 2 0 290.382 2.627 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2O1 ZINC000647798453 395432717 /nfs/dbraw/zinc/43/27/17/395432717.db2.gz QWMUHEKMTMUKNV-RUCLQGLUSA-N 2 0 286.419 2.876 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800788 395434292 /nfs/dbraw/zinc/43/42/92/395434292.db2.gz KMKJRLVXNFRMJO-MWQQHZPXSA-N 2 0 258.409 2.768 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccccc2F)CCC1 ZINC000647802080 395435418 /nfs/dbraw/zinc/43/54/18/395435418.db2.gz FTHZLDXOFSHJKZ-CYBMUJFWSA-N 2 0 280.387 2.548 20 0 CFADRP C[C@@H]([NH2+]CCCC1CC[NH2+]CC1)c1cncc(F)c1 ZINC000647802660 395435716 /nfs/dbraw/zinc/43/57/16/395435716.db2.gz SDIFNONTIUQKTM-GFCCVEGCSA-N 2 0 265.376 2.651 20 0 CFADRP COc1ccccc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647802423 395436047 /nfs/dbraw/zinc/43/60/47/395436047.db2.gz KVLPOJXIXHMZCD-RBSFLKMASA-N 2 0 286.419 2.662 20 0 CFADRP C[C@H]([NH2+]C1(c2cccc(Cl)c2)CCC1)C1C[NH2+]C1 ZINC000647803952 395436755 /nfs/dbraw/zinc/43/67/55/395436755.db2.gz FQNJJCFXJLQSEE-NSHDSACASA-N 2 0 264.800 2.917 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1ccc(C(F)(F)F)cc1 ZINC000647848412 395445051 /nfs/dbraw/zinc/44/50/51/395445051.db2.gz QLBJMPKCCNFGRE-UHFFFAOYSA-N 2 0 274.330 2.919 20 0 CFADRP Cc1ccc(SCC[N@H+](C)CCC[NH3+])cc1C ZINC000647848064 395445098 /nfs/dbraw/zinc/44/50/98/395445098.db2.gz BJDYMLRMSGJOJR-UHFFFAOYSA-N 2 0 252.427 2.676 20 0 CFADRP CC(C)[NH+]1CCC(N(C)c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647853865 395445564 /nfs/dbraw/zinc/44/55/64/395445564.db2.gz NUEJFQMHCCWPPF-UHFFFAOYSA-N 2 0 272.396 2.872 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000036992585 543025357 /nfs/dbraw/zinc/02/53/57/543025357.db2.gz HUSWEQKZEKLQJV-STQMWFEESA-N 2 0 266.454 2.999 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000649411576 395489069 /nfs/dbraw/zinc/48/90/69/395489069.db2.gz IECUHJAWKOKGIG-CYBMUJFWSA-N 2 0 273.380 2.617 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000037209431 543027834 /nfs/dbraw/zinc/02/78/34/543027834.db2.gz ZZBLUZIUHTXYPH-CYBMUJFWSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C1CC[NH+](C)CC1 ZINC000386821950 543102968 /nfs/dbraw/zinc/10/29/68/543102968.db2.gz PFWSREDDHQXLPF-ADNDVJRGSA-N 2 0 250.430 2.885 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000340534298 292076989 /nfs/dbraw/zinc/07/69/89/292076989.db2.gz KDTAGNXPBURZEO-CABCVRRESA-N 2 0 270.461 2.758 20 0 CFADRP FC1(F)CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000313361386 413096099 /nfs/dbraw/zinc/09/60/99/413096099.db2.gz OKMQVYMDMSEMST-ZDUSSCGKSA-N 2 0 281.350 2.828 20 0 CFADRP CCc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401148710 413164281 /nfs/dbraw/zinc/16/42/81/413164281.db2.gz OYKCHHVQRCCIFJ-YESZJQIVSA-N 2 0 258.409 2.727 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000394013064 397547479 /nfs/dbraw/zinc/54/74/79/397547479.db2.gz ARBJEIRJKZEXLI-MRXNPFEDSA-N 2 0 262.397 2.646 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917672 397550882 /nfs/dbraw/zinc/55/08/82/397550882.db2.gz ZRSMBCNHYOGYIR-WMZOPIPTSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000097850694 292121583 /nfs/dbraw/zinc/12/15/83/292121583.db2.gz SXLDGKABBUSYLA-HNNXBMFYSA-N 2 0 250.361 2.837 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000343100699 397654468 /nfs/dbraw/zinc/65/44/68/397654468.db2.gz FQXSXVCBEZJMGG-MRXNPFEDSA-N 2 0 296.842 2.885 20 0 CFADRP [NH3+]C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000212698133 397618790 /nfs/dbraw/zinc/61/87/90/397618790.db2.gz MOAXITDDRMDURO-OLZOCXBDSA-N 2 0 272.314 2.646 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000236213560 397626704 /nfs/dbraw/zinc/62/67/04/397626704.db2.gz WVLATYNRDIYSBA-ZDUSSCGKSA-N 2 0 283.213 2.765 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)CCO1 ZINC000356960768 397659391 /nfs/dbraw/zinc/65/93/91/397659391.db2.gz DAVDMUOVVOSZNK-GVDBMIGSSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000650757444 397885228 /nfs/dbraw/zinc/88/52/28/397885228.db2.gz XGLKGJUZVPZYDT-ZACQAIPSSA-N 2 0 288.435 2.699 20 0 CFADRP COC1(C[C@H](C)[NH2+]CCC[NH+]2CCCCC2)CCC1 ZINC000429361763 292125427 /nfs/dbraw/zinc/12/54/27/292125427.db2.gz FSCOGCJMOWUCRF-HNNXBMFYSA-N 2 0 268.445 2.800 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650762318 397886876 /nfs/dbraw/zinc/88/68/76/397886876.db2.gz ZWRVMEBQNWCPGU-HNNXBMFYSA-N 2 0 292.398 2.801 20 0 CFADRP FCCC[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650761798 397886983 /nfs/dbraw/zinc/88/69/83/397886983.db2.gz KQRRDYWIWMTHRW-HUUCEWRRSA-N 2 0 256.409 2.884 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000650761820 397887143 /nfs/dbraw/zinc/88/71/43/397887143.db2.gz LDVHGCWVDOGSNS-OAHLLOKOSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CCC2)[C@H]1CCC[NH2+]C1 ZINC000650703651 397859733 /nfs/dbraw/zinc/85/97/33/397859733.db2.gz KGCGTLOPGFEHTR-ZFWWWQNUSA-N 2 0 258.409 2.653 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650707071 397860538 /nfs/dbraw/zinc/86/05/38/397860538.db2.gz XWNMUZSQHUSGLG-LZWOXQAQSA-N 2 0 294.464 2.775 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705540 397860907 /nfs/dbraw/zinc/86/09/07/397860907.db2.gz KXVOYROWSMOZDT-RCCFBDPRSA-N 2 0 288.435 2.713 20 0 CFADRP CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000650763011 397887793 /nfs/dbraw/zinc/88/77/93/397887793.db2.gz OXRFQBDXQOUWIJ-AWEZNQCLSA-N 2 0 265.376 2.651 20 0 CFADRP CC[N@H+](CCCN[C@H]1C[NH2+]C[C@@H](C)C1)C1CCCCC1 ZINC000650710590 397862434 /nfs/dbraw/zinc/86/24/34/397862434.db2.gz SQSDISNHYJBBEJ-JKSUJKDBSA-N 2 0 281.488 2.619 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763067 397887932 /nfs/dbraw/zinc/88/79/32/397887932.db2.gz QBIMEFOGJZKXQJ-INIZCTEOSA-N 2 0 274.408 2.749 20 0 CFADRP Cc1cccc2ncc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n21 ZINC000650710894 397863582 /nfs/dbraw/zinc/86/35/82/397863582.db2.gz CDQSZLGJPIFEDL-CJNGLKHVSA-N 2 0 286.423 2.592 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)[C@H]1CC[NH3+] ZINC000650711036 397863625 /nfs/dbraw/zinc/86/36/25/397863625.db2.gz GVRUNWJJTBFYSF-BBRMVZONSA-N 2 0 286.423 2.523 20 0 CFADRP Cc1cccn2c(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cnc12 ZINC000650711308 397863689 /nfs/dbraw/zinc/86/36/89/397863689.db2.gz PAVWDCTUGDHASO-XJKSGUPXSA-N 2 0 286.423 2.592 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712821 397864974 /nfs/dbraw/zinc/86/49/74/397864974.db2.gz WLOFHYKFVIYULZ-UHFFFAOYSA-N 2 0 284.407 2.604 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650713859 397865471 /nfs/dbraw/zinc/86/54/71/397865471.db2.gz GIQBNHLKZDMQFQ-CQSZACIVSA-N 2 0 276.424 2.735 20 0 CFADRP CCn1cc(C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C(C)C)cn1 ZINC000650715144 397865508 /nfs/dbraw/zinc/86/55/08/397865508.db2.gz RGSARVGUXMCUDA-LSDHHAIUSA-N 2 0 278.444 2.502 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713772 397865558 /nfs/dbraw/zinc/86/55/58/397865558.db2.gz BFOMLKJQRYXOHL-CYBMUJFWSA-N 2 0 264.388 2.865 20 0 CFADRP CCO[C@@H]1C[N@H+](C[C@@H](c2ccccc2)C(C)C)C[C@H]1C[NH3+] ZINC000650714396 397865672 /nfs/dbraw/zinc/86/56/72/397865672.db2.gz AHHTXZJSNJQMIF-KZNAEPCWSA-N 2 0 290.451 2.722 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CCC2(C[NH3+])CC2)cc1F ZINC000650713531 397865849 /nfs/dbraw/zinc/86/58/49/397865849.db2.gz VSJHGSPILCXENL-CYBMUJFWSA-N 2 0 294.414 2.732 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764465 397888534 /nfs/dbraw/zinc/88/85/34/397888534.db2.gz ZMYBAIQCHMCGEB-HNNXBMFYSA-N 2 0 260.425 2.905 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000650721498 397870198 /nfs/dbraw/zinc/87/01/98/397870198.db2.gz KPUDLJCUERCSHW-UHFFFAOYSA-N 2 0 279.453 2.583 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650722522 397871016 /nfs/dbraw/zinc/87/10/16/397871016.db2.gz VZXMDHCIWFXZLG-BMFZPTHFSA-N 2 0 294.464 2.917 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1OC ZINC000650764042 397888629 /nfs/dbraw/zinc/88/86/29/397888629.db2.gz PBUYAFDPFSMMHX-CYBMUJFWSA-N 2 0 292.423 2.744 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724476 397871534 /nfs/dbraw/zinc/87/15/34/397871534.db2.gz HAOWHJQPYPHQMF-ZIAGYGMSSA-N 2 0 276.399 2.787 20 0 CFADRP [NH3+]CCC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650725060 397871557 /nfs/dbraw/zinc/87/15/57/397871557.db2.gz SJQXBNJFAYATCO-UHFFFAOYSA-N 2 0 258.287 2.633 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764282 397888669 /nfs/dbraw/zinc/88/86/69/397888669.db2.gz VDLKGVOZIWQHDC-KRWDZBQOSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000650742922 397876788 /nfs/dbraw/zinc/87/67/88/397876788.db2.gz IFBOATPQDMJOMP-AWEZNQCLSA-N 2 0 250.361 2.995 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCCO2 ZINC000650745953 397878941 /nfs/dbraw/zinc/87/89/41/397878941.db2.gz RXHGVYSSLYBTQR-OAHLLOKOSA-N 2 0 274.408 2.927 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cnn1C(C)(C)C ZINC000650746650 397879575 /nfs/dbraw/zinc/87/95/75/397879575.db2.gz HPBRTUVJIHSKOU-GFCCVEGCSA-N 2 0 278.444 2.726 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)C[C@@H]1Oc1ccccc1 ZINC000650746636 397879622 /nfs/dbraw/zinc/87/96/22/397879622.db2.gz HFNFRHVLJAKKBS-CVEARBPZSA-N 2 0 288.435 2.951 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000650746137 397879654 /nfs/dbraw/zinc/87/96/54/397879654.db2.gz WTUZDVDDSSUYIV-KRWDZBQOSA-N 2 0 281.403 2.890 20 0 CFADRP COC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000650746661 397879679 /nfs/dbraw/zinc/87/96/79/397879679.db2.gz IAPJGLXGOXGJHW-AWEZNQCLSA-N 2 0 282.815 2.746 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746815 397879717 /nfs/dbraw/zinc/87/97/17/397879717.db2.gz LUFBXGBKWHCUFW-SNVBAGLBSA-N 2 0 254.399 2.536 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CCC1(C[NH3+])CC1 ZINC000650747129 397880226 /nfs/dbraw/zinc/88/02/26/397880226.db2.gz SNMRYCKSFBAJCE-OAHLLOKOSA-N 2 0 274.408 2.791 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650754468 397883657 /nfs/dbraw/zinc/88/36/57/397883657.db2.gz JTRKTQDKVPOVKK-JKSUJKDBSA-N 2 0 294.414 2.966 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650754945 397883879 /nfs/dbraw/zinc/88/38/79/397883879.db2.gz VLINFXSALGCTGZ-HOTGVXAUSA-N 2 0 292.398 2.722 20 0 CFADRP [NH3+]Cc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c(F)c1 ZINC000650755919 397884436 /nfs/dbraw/zinc/88/44/36/397884436.db2.gz PJPGLEPGWNUZMD-IRXDYDNUSA-N 2 0 285.366 2.519 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)c(F)c1 ZINC000650756086 397884491 /nfs/dbraw/zinc/88/44/91/397884491.db2.gz UEYCKFKMCHCAMG-INIZCTEOSA-N 2 0 262.372 2.953 20 0 CFADRP COC1([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CCCC1 ZINC000421848928 292135441 /nfs/dbraw/zinc/13/54/41/292135441.db2.gz BDEZJQULPVLTEA-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)CCCC1 ZINC000421821159 292136049 /nfs/dbraw/zinc/13/60/49/292136049.db2.gz PSQPEMMZSWDXOY-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423020918 296576480 /nfs/dbraw/zinc/57/64/80/296576480.db2.gz DEEJFTVANXVUBC-CBBWQLFWSA-N 2 0 268.445 2.558 20 0 CFADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404400882 413202336 /nfs/dbraw/zinc/20/23/36/413202336.db2.gz RDZAPFRUYSADJJ-CJNGLKHVSA-N 2 0 292.423 2.653 20 0 CFADRP Clc1ccc2nccc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000663428348 413202008 /nfs/dbraw/zinc/20/20/08/413202008.db2.gz INNUANULGZMCTB-LBPRGKRZSA-N 2 0 287.794 2.959 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404370217 413203394 /nfs/dbraw/zinc/20/33/94/413203394.db2.gz IPWDEDBHEJNYPF-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000404424632 413203513 /nfs/dbraw/zinc/20/35/13/413203513.db2.gz KWFVWFWNWZEMSL-GWCFXTLKSA-N 2 0 267.442 2.709 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1F ZINC000404448183 413207397 /nfs/dbraw/zinc/20/73/97/413207397.db2.gz XWNOEGDFDCOGGF-WFASDCNBSA-N 2 0 280.387 2.784 20 0 CFADRP C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404987519 413219421 /nfs/dbraw/zinc/21/94/21/413219421.db2.gz FHHRELOVHYAZGC-GJZGRUSLSA-N 2 0 258.409 2.648 20 0 CFADRP CN(Cc1ccccc1OCC(F)(F)F)CC(C)(C)[NH3+] ZINC000656782995 413220955 /nfs/dbraw/zinc/22/09/55/413220955.db2.gz KXKQEECHAXVIBV-UHFFFAOYSA-N 2 0 290.329 2.797 20 0 CFADRP CN(Cc1cccc(OCC(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000656783678 413222063 /nfs/dbraw/zinc/22/20/63/413222063.db2.gz TZBNTIVEUJPVIX-UHFFFAOYSA-N 2 0 290.329 2.797 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423473097 286024462 /nfs/dbraw/zinc/02/44/62/286024462.db2.gz NQKBPRCJPFCTHA-FSDCSDTHSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467122 413222544 /nfs/dbraw/zinc/22/25/44/413222544.db2.gz CURWVFJUGOOUFV-CRAIPNDOSA-N 2 0 294.483 2.903 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000663465557 413224931 /nfs/dbraw/zinc/22/49/31/413224931.db2.gz KMGRVRGHQYOGKF-AEFFLSMTSA-N 2 0 294.483 2.903 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCCC1 ZINC000361979842 286050422 /nfs/dbraw/zinc/05/04/22/286050422.db2.gz BWZJSFPLKUTFSE-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656784322 413226644 /nfs/dbraw/zinc/22/66/44/413226644.db2.gz CNTBYLZDHVWEEZ-QGZVFWFLSA-N 2 0 288.435 2.907 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467981 413227855 /nfs/dbraw/zinc/22/78/55/413227855.db2.gz JNLBUUDDZYWGLL-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP COCC(C)(C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000494322889 292197082 /nfs/dbraw/zinc/19/70/82/292197082.db2.gz MXCPCKBBGCWWBB-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP COCC(C)(C)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339498048 292197089 /nfs/dbraw/zinc/19/70/89/292197089.db2.gz NJUOSLFEPPLAOF-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786539 413231482 /nfs/dbraw/zinc/23/14/82/413231482.db2.gz UEPXBVLKDBASON-CQSZACIVSA-N 2 0 294.464 2.968 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCN(c3ccccc3)CC2)CCCC1 ZINC000656789809 413234121 /nfs/dbraw/zinc/23/41/21/413234121.db2.gz ZGSBBEMTAXCTGV-UHFFFAOYSA-N 2 0 273.424 2.517 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000653200866 413235571 /nfs/dbraw/zinc/23/55/71/413235571.db2.gz SDQZXVMAQWGOAM-KRWDZBQOSA-N 2 0 297.487 2.665 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000656788966 413234856 /nfs/dbraw/zinc/23/48/56/413234856.db2.gz HGBSDIIQJIQWEF-CQSZACIVSA-N 2 0 289.423 2.573 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCCC3)CC2)C1 ZINC000656789370 413236641 /nfs/dbraw/zinc/23/66/41/413236641.db2.gz NNOBBSHTTQBJQC-RDJZCZTQSA-N 2 0 293.499 2.891 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](COc2ccccc2)C1 ZINC000356360020 155238132 /nfs/dbraw/zinc/23/81/32/155238132.db2.gz HCNRNCMEKIENGQ-DLBZAZTESA-N 2 0 288.435 2.872 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCC[N@H+](C)C3)C[C@H]2C1 ZINC000424338225 286113477 /nfs/dbraw/zinc/11/34/77/286113477.db2.gz UHJMQBCTQIXULY-ZOFXXKQRSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1CNc1ccc2c(c1)CCCN2 ZINC000663494364 413239624 /nfs/dbraw/zinc/23/96/24/413239624.db2.gz OBBCCLGMAOUNFR-TZMCWYRMSA-N 2 0 259.397 2.702 20 0 CFADRP CC(C)[NH+](CCN(C)CC[NH+]1CCC(C)CC1)C(C)C ZINC000356386007 155248954 /nfs/dbraw/zinc/24/89/54/155248954.db2.gz FYLGGQFNSBVZIP-UHFFFAOYSA-N 2 0 283.504 2.769 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1CNc1ccc2c(c1)CCCN2 ZINC000663494361 413241025 /nfs/dbraw/zinc/24/10/25/413241025.db2.gz OBBCCLGMAOUNFR-OCCSQVGLSA-N 2 0 259.397 2.702 20 0 CFADRP CCCOc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663498909 413244548 /nfs/dbraw/zinc/24/45/48/413244548.db2.gz SVIQMHUDXSRKKG-MRXNPFEDSA-N 2 0 264.413 2.938 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000663500146 413246058 /nfs/dbraw/zinc/24/60/58/413246058.db2.gz PKKSTSVQDYJYRA-RYQLBKOJSA-N 2 0 295.515 2.993 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)C[C@@]1(C)CC[NH2+]C1 ZINC000663501818 413247094 /nfs/dbraw/zinc/24/70/94/413247094.db2.gz BBHYNOKXACLHMM-WBVHZDCISA-N 2 0 258.409 2.648 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000189148433 286198418 /nfs/dbraw/zinc/19/84/18/286198418.db2.gz VPTUWXRWENCGPB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423393316 297109688 /nfs/dbraw/zinc/10/96/88/297109688.db2.gz MDUDWHGKFCKHNU-XNRPHZJLSA-N 2 0 259.397 2.521 20 0 CFADRP CCCC[C@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663505831 413248796 /nfs/dbraw/zinc/24/87/96/413248796.db2.gz NANIBIUKJBALCA-HNNXBMFYSA-N 2 0 297.487 2.535 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)CC2 ZINC000663502633 413249152 /nfs/dbraw/zinc/24/91/52/413249152.db2.gz JDYJOHUHGNRWJA-DOTOQJQBSA-N 2 0 276.424 2.516 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663503339 413250444 /nfs/dbraw/zinc/25/04/44/413250444.db2.gz PDPBHNYIEHGRCI-WMLDXEAASA-N 2 0 278.440 2.979 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000663504308 413251019 /nfs/dbraw/zinc/25/10/19/413251019.db2.gz YYBZZZJLQAKUAH-CQSZACIVSA-N 2 0 268.376 2.687 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423358161 286255112 /nfs/dbraw/zinc/25/51/12/286255112.db2.gz BGBVDELESDNYAA-XUJVJEKNSA-N 2 0 278.371 2.681 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2ccc(C)cc2C)CC[NH2+]CC1 ZINC000423389262 292246527 /nfs/dbraw/zinc/24/65/27/292246527.db2.gz LLTZQARRDOGALV-INIZCTEOSA-N 2 0 290.451 2.970 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000453373915 292248446 /nfs/dbraw/zinc/24/84/46/292248446.db2.gz HHTQDQQRISBIQN-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423163557 292247555 /nfs/dbraw/zinc/24/75/55/292247555.db2.gz MSVPDSNWOMQGIQ-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C)C)C12CCCCC2 ZINC000087294730 286280475 /nfs/dbraw/zinc/28/04/75/286280475.db2.gz QCVUXCWYQMVDKJ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1(CC)CC ZINC000423249606 286282653 /nfs/dbraw/zinc/28/26/53/286282653.db2.gz OZSWUGBCHSINJQ-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1(CC)CC ZINC000344017767 286291760 /nfs/dbraw/zinc/29/17/60/286291760.db2.gz LDBQSXRGDKYYOD-RBSFLKMASA-N 2 0 270.461 2.900 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000653279876 413271701 /nfs/dbraw/zinc/27/17/01/413271701.db2.gz HLGOCSXJLZCVEA-WBMJQRKESA-N 2 0 255.365 2.546 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000574100022 413274579 /nfs/dbraw/zinc/27/45/79/413274579.db2.gz LCASWRLXWKFBOW-CVEARBPZSA-N 2 0 258.409 2.968 20 0 CFADRP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C(C)C)cc1 ZINC000423218166 286359539 /nfs/dbraw/zinc/35/95/39/286359539.db2.gz VFWYXJHOFJPBTM-PBHICJAKSA-N 2 0 276.424 2.982 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1(CC)CC ZINC000344017769 286394447 /nfs/dbraw/zinc/39/44/47/286394447.db2.gz LDBQSXRGDKYYOD-SOUVJXGZSA-N 2 0 270.461 2.900 20 0 CFADRP Cc1ccoc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000343087879 154110731 /nfs/dbraw/zinc/11/07/31/154110731.db2.gz WYTNMVCBCGJRRD-UHFFFAOYSA-N 2 0 258.365 2.939 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CC2 ZINC000423445973 286424660 /nfs/dbraw/zinc/42/46/60/286424660.db2.gz YMCLLSDYMFNSDZ-WBMJQRKESA-N 2 0 262.397 2.790 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000348073115 154306429 /nfs/dbraw/zinc/30/64/29/154306429.db2.gz ZIGCJXGFPLPNEC-ZBFHGGJFSA-N 2 0 276.424 2.905 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CCCCN2CC(C)C)CC1 ZINC000348094951 154317266 /nfs/dbraw/zinc/31/72/66/154317266.db2.gz IPOGPOUILYWOEL-AWEZNQCLSA-N 2 0 270.486 2.982 20 0 CFADRP CSC1(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000348132373 154333284 /nfs/dbraw/zinc/33/32/84/154333284.db2.gz XCTNBLSOFNQHJS-UHFFFAOYSA-N 2 0 282.428 2.873 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCc2cnccc2C)CC1 ZINC000348131701 154334004 /nfs/dbraw/zinc/33/40/04/154334004.db2.gz SUSVMUBPDODLEW-UHFFFAOYSA-N 2 0 275.440 2.787 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000348275546 154391367 /nfs/dbraw/zinc/39/13/67/154391367.db2.gz CUKKPEMLSHATEA-TUKIKUTGSA-N 2 0 298.377 2.931 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000348275544 154391949 /nfs/dbraw/zinc/39/19/49/154391949.db2.gz CUKKPEMLSHATEA-GLQYFDAESA-N 2 0 298.377 2.931 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000247236769 292307789 /nfs/dbraw/zinc/30/77/89/292307789.db2.gz XHFZBPVYBMNMFF-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP COc1cccc(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000422989989 286448549 /nfs/dbraw/zinc/44/85/49/286448549.db2.gz BIGIRHFSQUHBPQ-ZBFHGGJFSA-N 2 0 291.439 2.533 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000352716860 154657766 /nfs/dbraw/zinc/65/77/66/154657766.db2.gz HWTWLJSWBPNNIM-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000660416627 413300025 /nfs/dbraw/zinc/30/00/25/413300025.db2.gz UXQDRMSRBDCZQB-DLBZAZTESA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)(C)OC1CC([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000355589024 155047701 /nfs/dbraw/zinc/04/77/01/155047701.db2.gz WSUXVUSCHKUDFE-UHFFFAOYSA-N 2 0 280.456 2.939 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000355669754 155060724 /nfs/dbraw/zinc/06/07/24/155060724.db2.gz HSPNYDGZESQIAR-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP CCSCC[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000355771905 155080483 /nfs/dbraw/zinc/08/04/83/155080483.db2.gz HNRRGVJAQGESJB-AWEZNQCLSA-N 2 0 258.475 2.697 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(C)COC2)CC1 ZINC000357017195 155470236 /nfs/dbraw/zinc/47/02/36/155470236.db2.gz SIQPXAUOONCFHR-MRXNPFEDSA-N 2 0 294.483 2.999 20 0 CFADRP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCOC1 ZINC000360146143 156033741 /nfs/dbraw/zinc/03/37/41/156033741.db2.gz ABUSXFJSPWIJLD-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP COC1(C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCCC1 ZINC000360167024 156041134 /nfs/dbraw/zinc/04/11/34/156041134.db2.gz UPOZMZMUUFBNMJ-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+](CCC(C)C)CC2)CC1 ZINC000363529293 156178987 /nfs/dbraw/zinc/17/89/87/156178987.db2.gz NXFNAWGCHRHQTB-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335516160 292337945 /nfs/dbraw/zinc/33/79/45/292337945.db2.gz IFGVVOLFHXXYSI-GDBMZVCRSA-N 2 0 274.408 2.798 20 0 CFADRP C(CC1CCOCC1)C[N@@H+]1C[C@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363972486 156211793 /nfs/dbraw/zinc/21/17/93/156211793.db2.gz IFIDQSSHZOJDBU-KSZLIROESA-N 2 0 292.467 2.609 20 0 CFADRP c1ccc(C2CC([NH2+]CC3CC[NH+](C4CC4)CC3)C2)nc1 ZINC000367370861 156321925 /nfs/dbraw/zinc/32/19/25/156321925.db2.gz NAGCRCAFZOAWBM-UHFFFAOYSA-N 2 0 285.435 2.792 20 0 CFADRP CC(C)C(C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000367398446 156324678 /nfs/dbraw/zinc/32/46/78/156324678.db2.gz HHHCMEKVSNRZHR-MRXNPFEDSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)o1 ZINC000367467872 156338693 /nfs/dbraw/zinc/33/86/93/156338693.db2.gz XVALZTVWDCVRCQ-KBMXLJTQSA-N 2 0 260.381 2.504 20 0 CFADRP CC(=O)CC[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000367482612 156340851 /nfs/dbraw/zinc/34/08/51/156340851.db2.gz HCUXWCUMJQPBLD-IAGOWNOFSA-N 2 0 274.408 2.638 20 0 CFADRP CCOC1CC(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000367552581 156348221 /nfs/dbraw/zinc/34/82/21/156348221.db2.gz GROCIFWIXAVOPA-UHFFFAOYSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)c1 ZINC000367614019 156361325 /nfs/dbraw/zinc/36/13/25/156361325.db2.gz GYBLAUCTNFWQES-MRXNPFEDSA-N 2 0 284.407 2.639 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@H]2CCC[C@H]21 ZINC000367615746 156365091 /nfs/dbraw/zinc/36/50/91/156365091.db2.gz MAXBCQFXHQLXQY-IXDOHACOSA-N 2 0 276.399 2.831 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1C ZINC000367615736 156365195 /nfs/dbraw/zinc/36/51/95/156365195.db2.gz MAWBXFLWBWLNIP-GVDBMIGSSA-N 2 0 288.435 2.966 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN(c3ccccc3)C2)C1 ZINC000657182781 413332163 /nfs/dbraw/zinc/33/21/63/413332163.db2.gz QYTFZFLWJDUAIR-IAGOWNOFSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)c2sccc21 ZINC000453222904 296733415 /nfs/dbraw/zinc/73/34/15/296733415.db2.gz OLGSSQZVGYFGIK-OCCSQVGLSA-N 2 0 282.453 2.854 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453094566 292350148 /nfs/dbraw/zinc/35/01/48/292350148.db2.gz QEOMFAYHXALGGU-QGZVFWFLSA-N 2 0 280.456 2.656 20 0 CFADRP CC/C=C/CC[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000373345615 156983045 /nfs/dbraw/zinc/98/30/45/156983045.db2.gz GJDQHXIIQCZCIZ-AATRIKPKSA-N 2 0 293.499 2.835 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000375107643 157196226 /nfs/dbraw/zinc/19/62/26/157196226.db2.gz DNOLSJAIYKCKSH-DLBZAZTESA-N 2 0 280.456 2.656 20 0 CFADRP CCN(CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)C1CC1 ZINC000376085057 157322197 /nfs/dbraw/zinc/32/21/97/157322197.db2.gz UUCUKEJDAPRTGI-HUUCEWRRSA-N 2 0 290.455 2.520 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCC1 ZINC000651228326 413358846 /nfs/dbraw/zinc/35/88/46/413358846.db2.gz TXZSDYZGWOERAF-AEFFLSMTSA-N 2 0 293.499 2.713 20 0 CFADRP C[N@@H+]1CCCC12CCN(c1nccc3c(N)cccc31)CC2 ZINC000663767531 413362815 /nfs/dbraw/zinc/36/28/15/413362815.db2.gz FCMULXSKVVFGKY-UHFFFAOYSA-N 2 0 296.418 2.882 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246463486 292377891 /nfs/dbraw/zinc/37/78/91/292377891.db2.gz QBABBPTZLXIAFG-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)CN(C)CC ZINC000653559774 413368732 /nfs/dbraw/zinc/36/87/32/413368732.db2.gz SRRLSHDRMCQPOC-ZWKOTPCHSA-N 2 0 292.467 2.561 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422761620 286696092 /nfs/dbraw/zinc/69/60/92/286696092.db2.gz MYSNYSWHUNXKCC-REWJHTLYSA-N 2 0 256.459 2.910 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353659933 286804167 /nfs/dbraw/zinc/80/41/67/286804167.db2.gz NUANOQKVAUKDAR-OLZOCXBDSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C)(C)CC1 ZINC000349316880 286808791 /nfs/dbraw/zinc/80/87/91/286808791.db2.gz XCCXSUFZGOZQFB-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CCCn1nccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000657300617 413419755 /nfs/dbraw/zinc/41/97/55/413419755.db2.gz RGCLBYWZVPTDRE-UHFFFAOYSA-N 2 0 286.423 2.645 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423429750 298392317 /nfs/dbraw/zinc/39/23/17/298392317.db2.gz KNNDNYGMDUUONE-ZIAGYGMSSA-N 2 0 263.429 2.921 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000423082376 298399652 /nfs/dbraw/zinc/39/96/52/298399652.db2.gz FAFVPGJWYQOQPM-SFYZADRCSA-N 2 0 281.347 2.940 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423461468 298399973 /nfs/dbraw/zinc/39/99/73/298399973.db2.gz SUGUJEZVCKXXRH-PBHICJAKSA-N 2 0 298.434 2.967 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000422780173 298400129 /nfs/dbraw/zinc/40/01/29/298400129.db2.gz JBJXQZPNVZQCTM-UHOFOFEASA-N 2 0 280.387 2.763 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CO1 ZINC000657311318 413431364 /nfs/dbraw/zinc/43/13/64/413431364.db2.gz JESSVMPWWPWADA-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660615291 413433284 /nfs/dbraw/zinc/43/32/84/413433284.db2.gz FFXJCTSYOUAIFP-SJORKVTESA-N 2 0 280.456 2.609 20 0 CFADRP COc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000342623616 161672799 /nfs/dbraw/zinc/67/27/99/161672799.db2.gz HNQCAZHKLSTHTA-XKQJLSEDSA-N 2 0 276.424 2.729 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000657310886 413432826 /nfs/dbraw/zinc/43/28/26/413432826.db2.gz QULVCSMMOSMRIX-RCCFBDPRSA-N 2 0 295.515 2.961 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000651384193 413435173 /nfs/dbraw/zinc/43/51/73/413435173.db2.gz RWGVXZXAZRRRAD-CRAIPNDOSA-N 2 0 290.451 2.564 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2n1CCC2 ZINC000657311775 413433958 /nfs/dbraw/zinc/43/39/58/413433958.db2.gz UVVUBICPCICZPE-HNNXBMFYSA-N 2 0 290.455 2.574 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccoc2)CC1 ZINC000343690830 161838083 /nfs/dbraw/zinc/83/80/83/161838083.db2.gz KBNSBTWBEYTLQB-UHFFFAOYSA-N 2 0 299.418 2.711 20 0 CFADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1ccncc1 ZINC000453257441 286904647 /nfs/dbraw/zinc/90/46/47/286904647.db2.gz RYDJXMPTSMBMBQ-OAHLLOKOSA-N 2 0 293.480 2.950 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344330191 162012762 /nfs/dbraw/zinc/01/27/62/162012762.db2.gz NTJNHSBXUZWGRA-JKSUJKDBSA-N 2 0 280.456 2.822 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1(C)C ZINC000344330187 162013213 /nfs/dbraw/zinc/01/32/13/162013213.db2.gz NTJNHSBXUZWGRA-HOTGVXAUSA-N 2 0 280.456 2.822 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)CO1 ZINC000657314287 413439163 /nfs/dbraw/zinc/43/91/63/413439163.db2.gz ZMQPHRJNTGHKOF-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000344640783 162087068 /nfs/dbraw/zinc/08/70/68/162087068.db2.gz NLWSTZXXLGOXEZ-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)c1ncc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000344686435 162097652 /nfs/dbraw/zinc/09/76/52/162097652.db2.gz RQFARVHFNCFQSG-VXGBXAGGSA-N 2 0 267.442 2.839 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000345146020 162188103 /nfs/dbraw/zinc/18/81/03/162188103.db2.gz TZHFPOAPYTWDJI-IRXDYDNUSA-N 2 0 256.393 2.642 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(c2ccncc2Cl)C[C@H]1C ZINC000345145142 162188313 /nfs/dbraw/zinc/18/83/13/162188313.db2.gz DQUPWMFYKXQFRT-MNOVXSKESA-N 2 0 253.777 2.654 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1CCSC1 ZINC000346164278 162338559 /nfs/dbraw/zinc/33/85/59/162338559.db2.gz HXZGYWLAHAZWSV-OAHLLOKOSA-N 2 0 288.420 2.513 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000347224585 162631592 /nfs/dbraw/zinc/63/15/92/162631592.db2.gz UZZMYUMVYNCJOA-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccccc1F ZINC000349668901 163001181 /nfs/dbraw/zinc/00/11/81/163001181.db2.gz RUBCMPGMZSLRMP-CQSZACIVSA-N 2 0 282.403 2.835 20 0 CFADRP COC1CC([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000349692289 163004558 /nfs/dbraw/zinc/00/45/58/163004558.db2.gz KCWFLKUOTJDYIE-UHFFFAOYSA-N 2 0 266.429 2.551 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000349695833 163004663 /nfs/dbraw/zinc/00/46/63/163004663.db2.gz SMXSBYCBIRKEGG-KWCYVHTRSA-N 2 0 279.453 2.771 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000349964244 163043338 /nfs/dbraw/zinc/04/33/38/163043338.db2.gz FACZERXVAAZSIS-SJLPKXTDSA-N 2 0 294.483 2.857 20 0 CFADRP CCCCC[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350253737 163068220 /nfs/dbraw/zinc/06/82/20/163068220.db2.gz OTLOEKRGVJSQIJ-HNNXBMFYSA-N 2 0 256.434 2.609 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CC(c2ccccc2)C1 ZINC000350259607 163070762 /nfs/dbraw/zinc/07/07/62/163070762.db2.gz DEUBADYREHLZSQ-UHFFFAOYSA-N 2 0 290.451 2.881 20 0 CFADRP CC(C)C[C@H]1CCCCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000351522158 163139709 /nfs/dbraw/zinc/13/97/09/163139709.db2.gz XGVXZBVEZUYPEP-IAGOWNOFSA-N 2 0 282.472 2.732 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H](O)CN(C)C1CC1)c1ccc(F)cc1 ZINC000351546785 163143850 /nfs/dbraw/zinc/14/38/50/163143850.db2.gz ZZUBHVPMOGKUQA-DLBZAZTESA-N 2 0 294.414 2.568 20 0 CFADRP CC[C@H](c1nc(-c2ccc(C[NH+](C)C)cc2)no1)[NH+](C)C ZINC000351583081 163151887 /nfs/dbraw/zinc/15/18/87/163151887.db2.gz GXDXCOAPBFVICF-CQSZACIVSA-N 2 0 288.395 2.811 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccsc2C)C1 ZINC000351685986 163175876 /nfs/dbraw/zinc/17/58/76/163175876.db2.gz OYJZDEBGQMPJJZ-INIZCTEOSA-N 2 0 296.480 2.989 20 0 CFADRP COC(=O)[C@@H](CC(C)C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000351721028 163183323 /nfs/dbraw/zinc/18/33/23/163183323.db2.gz RESUQPBSSZNORU-MRXNPFEDSA-N 2 0 298.471 2.628 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352835484 163246715 /nfs/dbraw/zinc/24/67/15/163246715.db2.gz PRGYEEVDCKVOJO-NXHRZFHOSA-N 2 0 293.499 2.594 20 0 CFADRP CSC1(C[NH2+]Cc2ccccc2F)CC[NH+](C)CC1 ZINC000353203889 163318147 /nfs/dbraw/zinc/31/81/47/163318147.db2.gz BZWYIXIGAKSGDV-UHFFFAOYSA-N 2 0 282.428 2.743 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cncc(F)c2)CC[NH+](C)CC1 ZINC000353224638 163320620 /nfs/dbraw/zinc/32/06/20/163320620.db2.gz KVKWSOMTZKEHLI-LBPRGKRZSA-N 2 0 297.443 2.699 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCC(O)CC2)C1 ZINC000353504164 163380378 /nfs/dbraw/zinc/38/03/78/163380378.db2.gz QMKYLSYDHOJKIJ-PJPHBNEVSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353501026 163381173 /nfs/dbraw/zinc/38/11/73/163381173.db2.gz HNNNGJJFWPYDOD-BVPBIZIASA-N 2 0 288.435 2.786 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000353524063 163385748 /nfs/dbraw/zinc/38/57/48/163385748.db2.gz ZNDXJMWDYXAZTG-UHFFFAOYSA-N 2 0 296.842 2.883 20 0 CFADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000657334769 413457978 /nfs/dbraw/zinc/45/79/78/413457978.db2.gz GUWFPLCUSKPDCR-CABCVRRESA-N 2 0 294.439 2.530 20 0 CFADRP CSC1(C[NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000354238289 163543985 /nfs/dbraw/zinc/54/39/85/163543985.db2.gz MOWUHKZJJHLUQX-UHFFFAOYSA-N 2 0 256.459 2.738 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000453104919 287025223 /nfs/dbraw/zinc/02/52/23/287025223.db2.gz VTVAFIOUAFJKEY-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000423211263 287038367 /nfs/dbraw/zinc/03/83/67/287038367.db2.gz KRVMPOBBTZAJFR-NEPJUHHUSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C1CCC(F)(F)CC1 ZINC000423387052 287070032 /nfs/dbraw/zinc/07/00/32/287070032.db2.gz SHVRNCDPNOBXRE-WZRBSPASSA-N 2 0 260.372 2.931 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000193136243 287218452 /nfs/dbraw/zinc/21/84/52/287218452.db2.gz ZPWDXZXZWSKZPY-VYDXJSESSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1[nH]nc2ncc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)cc12 ZINC000414807641 533679256 /nfs/dbraw/zinc/67/92/56/533679256.db2.gz IXYYBPLHRIDNAF-NSHDSACASA-N 2 0 295.390 2.576 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000020128491 171015093 /nfs/dbraw/zinc/01/50/93/171015093.db2.gz OHWOCOCAGAZTSP-MRXNPFEDSA-N 2 0 289.467 2.537 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c1 ZINC000020129040 171016139 /nfs/dbraw/zinc/01/61/39/171016139.db2.gz CBCBYTPCKOPDBS-CQSZACIVSA-N 2 0 262.397 2.832 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000020129055 171016711 /nfs/dbraw/zinc/01/67/11/171016711.db2.gz NABDXQLPILLRKQ-AWEZNQCLSA-N 2 0 290.407 2.594 20 0 CFADRP CCC(CC)[C@H](CNC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000020201921 171065950 /nfs/dbraw/zinc/06/59/50/171065950.db2.gz WPBZBNISWNWIMG-KRWDZBQOSA-N 2 0 283.504 2.815 20 0 CFADRP CCC(CC)[C@@H](CNC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000020201919 171065963 /nfs/dbraw/zinc/06/59/63/171065963.db2.gz WPBZBNISWNWIMG-QGZVFWFLSA-N 2 0 283.504 2.815 20 0 CFADRP C[C@@H]1CCCCC[NH+]1C[C@@H](O)C[N@H+]1CCCCC[C@@H]1C ZINC000447269739 287251683 /nfs/dbraw/zinc/25/16/83/287251683.db2.gz CXGAQZZDQBUFGB-BJWYYQGGSA-N 2 0 282.472 2.876 20 0 CFADRP CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+](C)C ZINC000020524053 171236286 /nfs/dbraw/zinc/23/62/86/171236286.db2.gz MDUWNHMBAXDLEG-NPYXIHBLSA-N 2 0 281.488 2.568 20 0 CFADRP C[C@@H]1C[C@H]([NH+]2CCC([NH2+]Cc3ccccc3)CC2)CCO1 ZINC000660680271 413495775 /nfs/dbraw/zinc/49/57/75/413495775.db2.gz TZAZXYMFAPPAPV-CRAIPNDOSA-N 2 0 288.435 2.808 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)CO1 ZINC000657358780 413496130 /nfs/dbraw/zinc/49/61/30/413496130.db2.gz MKNURSZWEYNLTI-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP COCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000651475133 413496821 /nfs/dbraw/zinc/49/68/21/413496821.db2.gz MQEDLEPXPLISHX-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657369689 413509710 /nfs/dbraw/zinc/50/97/10/413509710.db2.gz BXFMROXXOCQNDS-CYBMUJFWSA-N 2 0 258.369 2.649 20 0 CFADRP C[N@@H+](Cc1cc2cnccc2o1)CC1CC[NH+](C)CC1 ZINC000651632564 413537632 /nfs/dbraw/zinc/53/76/32/413537632.db2.gz PXHZAGFZYZBXRI-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660758684 413542267 /nfs/dbraw/zinc/54/22/67/413542267.db2.gz ASKXGVQOWNCUPS-DOTOQJQBSA-N 2 0 294.483 2.639 20 0 CFADRP CC(C)C[N@H+](C)CCCNc1[nH+]ccc2[nH]ccc21 ZINC000664058014 413549188 /nfs/dbraw/zinc/54/91/88/413549188.db2.gz SVBXHMXYNARCHV-UHFFFAOYSA-N 2 0 260.385 2.953 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000651670320 413556870 /nfs/dbraw/zinc/55/68/70/413556870.db2.gz DJZOPLACBDUWNC-OAHLLOKOSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000651674363 413562129 /nfs/dbraw/zinc/56/21/29/413562129.db2.gz LXYPOKHHQXXHRZ-KSZLIROESA-N 2 0 295.515 2.817 20 0 CFADRP c1cc2c(c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c1)CCC2 ZINC000651680378 413567313 /nfs/dbraw/zinc/56/73/13/413567313.db2.gz ITGAFPLPYKKQKZ-IAGOWNOFSA-N 2 0 270.420 2.892 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000651681880 413567867 /nfs/dbraw/zinc/56/78/67/413567867.db2.gz CFBBICCMWGOLCO-MRXNPFEDSA-N 2 0 282.472 2.902 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651685735 413569250 /nfs/dbraw/zinc/56/92/50/413569250.db2.gz CCGVGDKTEIKPQX-OAHLLOKOSA-N 2 0 272.436 2.997 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000651686299 413570762 /nfs/dbraw/zinc/57/07/62/413570762.db2.gz WWITVXMMEKPFLW-MRXNPFEDSA-N 2 0 282.472 2.782 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)CC(C)(C)C)C1 ZINC000651685772 413572057 /nfs/dbraw/zinc/57/20/57/413572057.db2.gz DIKLSLWSAYFIDB-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651705258 413581527 /nfs/dbraw/zinc/58/15/27/413581527.db2.gz MXNQSYPILIKFPS-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000651713799 413585475 /nfs/dbraw/zinc/58/54/75/413585475.db2.gz DSDGYXXRVCMIKE-BRWVUGGUSA-N 2 0 282.472 2.782 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657427067 413591452 /nfs/dbraw/zinc/59/14/52/413591452.db2.gz KNMDNNZMFMRXCK-UHFFFAOYSA-N 2 0 273.405 2.648 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CO1 ZINC000657429106 413594264 /nfs/dbraw/zinc/59/42/64/413594264.db2.gz DQTCPONJHFRHJF-QSJFSLAZSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651692940 413575428 /nfs/dbraw/zinc/57/54/28/413575428.db2.gz WWXWOWDTIDPYCR-HNNXBMFYSA-N 2 0 272.436 2.997 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121032348 287268767 /nfs/dbraw/zinc/26/87/67/287268767.db2.gz PYLAKOOUPREYBA-TWMKSMIVSA-N 2 0 292.467 2.798 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000657457765 413632225 /nfs/dbraw/zinc/63/22/25/413632225.db2.gz CNXWKVUFJNLZHB-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP c1nc2c([nH]1)C[C@H]([NH2+]Cc1cc3ccncc3s1)CC2 ZINC000657469996 413645028 /nfs/dbraw/zinc/64/50/28/413645028.db2.gz LORHHUSCHKGOBW-LLVKDONJSA-N 2 0 284.388 2.667 20 0 CFADRP Cc1ccc2[nH+]ccc(NCC[C@@H](C)[NH+](C)C)c2c1 ZINC000664246059 413652625 /nfs/dbraw/zinc/65/26/25/413652625.db2.gz SFRQXZIGTPZZKG-CYBMUJFWSA-N 2 0 257.381 2.717 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@@H]3CCn4ccnc4C3)[nH]c2c1 ZINC000657440242 413608975 /nfs/dbraw/zinc/60/89/75/413608975.db2.gz PBYITMKPZNRQCE-CQSZACIVSA-N 2 0 280.375 2.777 20 0 CFADRP CC[C@@]1(C)CCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753579 413613896 /nfs/dbraw/zinc/61/38/96/413613896.db2.gz WJBGSPVKADONJN-SJORKVTESA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@]2(C)CC)CC1 ZINC000651750354 413616150 /nfs/dbraw/zinc/61/61/50/413616150.db2.gz FCFAFVPMIKYCPU-IRXDYDNUSA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651757964 413617384 /nfs/dbraw/zinc/61/73/84/413617384.db2.gz JLPAILPLMOMNLT-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP FC1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657500465 413693571 /nfs/dbraw/zinc/69/35/71/413693571.db2.gz OKIDYLKERWSTMZ-UHFFFAOYSA-N 2 0 288.370 2.885 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000657499445 413694127 /nfs/dbraw/zinc/69/41/27/413694127.db2.gz FHIQGQKGYZVPHE-MELADBBJSA-N 2 0 268.364 2.546 20 0 CFADRP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1 ZINC000657522263 413702258 /nfs/dbraw/zinc/70/22/58/413702258.db2.gz BZZCWUNYNSABCQ-INIZCTEOSA-N 2 0 289.423 2.607 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[NH+](C)C[C@H]1C)C1CCCCC1 ZINC000651910369 413709402 /nfs/dbraw/zinc/70/94/02/413709402.db2.gz QRLGRQVCZPLHAO-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC1(C)C ZINC000657537816 413720790 /nfs/dbraw/zinc/72/07/90/413720790.db2.gz UGZJPLMWEVRGNY-YOEHRIQHSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1 ZINC000657573948 413762798 /nfs/dbraw/zinc/76/27/98/413762798.db2.gz QSTZWTGTOUBCIX-AWEZNQCLSA-N 2 0 297.874 2.702 20 0 CFADRP CC(C)CCC[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596554 413780616 /nfs/dbraw/zinc/78/06/16/413780616.db2.gz OAFCVCXIOZOOKH-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(CO)CC1 ZINC000657607230 413786458 /nfs/dbraw/zinc/78/64/58/413786458.db2.gz HHSSYDCQWWMDQD-CQSZACIVSA-N 2 0 280.456 2.534 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)cn1 ZINC000652222868 413836398 /nfs/dbraw/zinc/83/63/98/413836398.db2.gz ZKBRGTVVYJUDLG-OAHLLOKOSA-N 2 0 293.455 2.589 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)CCCC1 ZINC000652221954 413836657 /nfs/dbraw/zinc/83/66/57/413836657.db2.gz APXLLLASUVBAMP-OAHLLOKOSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000652246751 413847292 /nfs/dbraw/zinc/84/72/92/413847292.db2.gz YIHYAOVBUHECDW-GUYCJALGSA-N 2 0 280.456 2.512 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C2CCC2)CC1 ZINC000661374664 413931083 /nfs/dbraw/zinc/93/10/83/413931083.db2.gz NQWGWHDEFCNFJD-INIZCTEOSA-N 2 0 250.430 2.983 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000657803135 413950982 /nfs/dbraw/zinc/95/09/82/413950982.db2.gz IEZMPGNGCQOVOD-HZPDHXFCSA-N 2 0 274.408 2.720 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+]Cc1cccc2nccn21 ZINC000657718755 413886446 /nfs/dbraw/zinc/88/64/46/413886446.db2.gz CIDGNVJLPHWHKB-UHFFFAOYSA-N 2 0 295.390 2.625 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351966 413900129 /nfs/dbraw/zinc/90/01/29/413900129.db2.gz OTJLFMFKZDAQSX-WMZOPIPTSA-N 2 0 288.435 2.825 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCc1cccc(F)c1)C2 ZINC000652352385 413901046 /nfs/dbraw/zinc/90/10/46/413901046.db2.gz OICSYUOZZZGRMN-RDJZCZTQSA-N 2 0 276.399 2.819 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCc2ccccc2)C1 ZINC000652360260 413908110 /nfs/dbraw/zinc/90/81/10/413908110.db2.gz DFPSIORIJUOUFN-SQNIBIBYSA-N 2 0 288.435 2.590 20 0 CFADRP COCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285590073 196335109 /nfs/dbraw/zinc/33/51/09/196335109.db2.gz OVRWADWBINHONC-SFHVURJKSA-N 2 0 288.435 2.621 20 0 CFADRP Cc1ccoc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812430 413960083 /nfs/dbraw/zinc/96/00/83/413960083.db2.gz BNANJKTUWTYTQH-UHFFFAOYSA-N 2 0 262.397 2.800 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812491 413961567 /nfs/dbraw/zinc/96/15/67/413961567.db2.gz DRACIZAUKCJIST-CJNGLKHVSA-N 2 0 250.430 2.887 20 0 CFADRP CCOC1CCC([NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000657824219 413974388 /nfs/dbraw/zinc/97/43/88/413974388.db2.gz OQONSOBJZMMCHA-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCCC1 ZINC000657845335 413997974 /nfs/dbraw/zinc/99/79/74/413997974.db2.gz VPLOADKZQSJPSX-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)C(C)(C)C ZINC000657886179 414028326 /nfs/dbraw/zinc/02/83/26/414028326.db2.gz HSMWDJCJRJJFPH-ZIAGYGMSSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000285656580 196357093 /nfs/dbraw/zinc/35/70/93/196357093.db2.gz MPACYBLFOWAIDK-GOSISDBHSA-N 2 0 289.467 2.673 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC000661578229 414063567 /nfs/dbraw/zinc/06/35/67/414063567.db2.gz JXPJQASJFAQTSR-IAGOWNOFSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000037408286 173184426 /nfs/dbraw/zinc/18/44/26/173184426.db2.gz HPSTUGXNMXOGIV-INIZCTEOSA-N 2 0 258.409 2.877 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000657976572 414082859 /nfs/dbraw/zinc/08/28/59/414082859.db2.gz QPHVZVOTYWKIBI-KZNAEPCWSA-N 2 0 295.515 2.961 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000658062680 414143114 /nfs/dbraw/zinc/14/31/14/414143114.db2.gz PHNFFGVYZIFOMO-FMKPAKJESA-N 2 0 261.413 2.505 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C(F)F ZINC000657992172 414095214 /nfs/dbraw/zinc/09/52/14/414095214.db2.gz CTKWISJJMDSOPH-CHWSQXEVSA-N 2 0 292.414 2.757 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000658013578 414102524 /nfs/dbraw/zinc/10/25/24/414102524.db2.gz VIGHMWRKGXVUBP-ZDUSSCGKSA-N 2 0 260.372 2.538 20 0 CFADRP CCOC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000658029159 414110856 /nfs/dbraw/zinc/11/08/56/414110856.db2.gz HEXUWIMYDBGEID-OZEOOWDWSA-N 2 0 266.429 2.549 20 0 CFADRP C[N@H+](CCCC[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000658030944 414116745 /nfs/dbraw/zinc/11/67/45/414116745.db2.gz HUGDNKIQZIVKEI-UHFFFAOYSA-N 2 0 260.372 2.538 20 0 CFADRP COC1([C@@H](C)[NH2+]CCc2cn3c(cccc3C)n2)CCC1 ZINC000658042471 414124674 /nfs/dbraw/zinc/12/46/74/414124674.db2.gz FCXVIVLXGVKZBP-CQSZACIVSA-N 2 0 287.407 2.732 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CC1(F)F ZINC000665265361 414221429 /nfs/dbraw/zinc/22/14/29/414221429.db2.gz WGKBWXSRUKSLBG-UBHSHLNASA-N 2 0 268.351 2.580 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000665265095 414221565 /nfs/dbraw/zinc/22/15/65/414221565.db2.gz OZTSVHMQZOYDGW-RHSMWYFYSA-N 2 0 285.435 2.699 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263597 414222179 /nfs/dbraw/zinc/22/21/79/414222179.db2.gz PYCUIDFNKRHAQF-WNRNVDISSA-N 2 0 288.435 2.809 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccoc1 ZINC000665263317 414222906 /nfs/dbraw/zinc/22/29/06/414222906.db2.gz KGMRIMBZDTZHAI-ZFWWWQNUSA-N 2 0 250.386 2.723 20 0 CFADRP CCC[C@@H](CC)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134525 414228804 /nfs/dbraw/zinc/22/88/04/414228804.db2.gz BCQCHVVVAUTRFC-MSOLQXFVSA-N 2 0 290.451 2.922 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1(F)F ZINC000665274517 414229402 /nfs/dbraw/zinc/22/94/02/414229402.db2.gz SAHRJWFFLFKLOH-LOWDOPEQSA-N 2 0 272.383 2.788 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658143447 414232718 /nfs/dbraw/zinc/23/27/18/414232718.db2.gz YGOXVXGDFPDDIR-KSSFIOAISA-N 2 0 288.435 2.531 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C1CCCC1 ZINC000665275609 414235119 /nfs/dbraw/zinc/23/51/19/414235119.db2.gz NSWDVHLZBNHQDV-SJKOYZFVSA-N 2 0 291.439 2.705 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000665275139 414235280 /nfs/dbraw/zinc/23/52/80/414235280.db2.gz CSRSCPKRLKKFST-YESZJQIVSA-N 2 0 274.408 2.926 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1nsc2ccccc21 ZINC000665275939 414235472 /nfs/dbraw/zinc/23/54/72/414235472.db2.gz VWUPPUJNNUJWII-GXTWGEPZSA-N 2 0 289.448 2.946 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C(C)C)cc1 ZINC000665278090 414237522 /nfs/dbraw/zinc/23/75/22/414237522.db2.gz UWYIEQVQSCMLET-LXPRWKDFSA-N 2 0 272.436 2.904 20 0 CFADRP COC1CC(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000665230777 414188167 /nfs/dbraw/zinc/18/81/67/414188167.db2.gz VVQBVYFBRWQWNR-CIDNJEQPSA-N 2 0 268.445 2.702 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccnc2c1 ZINC000665238860 414198705 /nfs/dbraw/zinc/19/87/05/414198705.db2.gz GCAIBGTWWUXOOU-YESZJQIVSA-N 2 0 295.430 2.755 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244490 414200662 /nfs/dbraw/zinc/20/06/62/414200662.db2.gz OXWVTKPVSJJQKN-FZMZJTMJSA-N 2 0 278.371 2.584 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000665249644 414209250 /nfs/dbraw/zinc/20/92/50/414209250.db2.gz VPXMBJRJPBTTRW-CQSZACIVSA-N 2 0 289.423 2.573 20 0 CFADRP C[C@@H](COc1c(F)cccc1F)[NH2+]C1CCC(C[NH3+])CC1 ZINC000665262109 414216469 /nfs/dbraw/zinc/21/64/69/414216469.db2.gz UKDWWBZHBSJITQ-HIFPTAJRSA-N 2 0 298.377 2.839 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279865 414242423 /nfs/dbraw/zinc/24/24/23/414242423.db2.gz NUSMFLLPXKPZRQ-YHNBSYBMSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000665281329 414242649 /nfs/dbraw/zinc/24/26/49/414242649.db2.gz ZRXUZGCQFIYPJR-IUODEOHRSA-N 2 0 281.419 2.916 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281248 414243821 /nfs/dbraw/zinc/24/38/21/414243821.db2.gz YFWLEFZUAPVFPM-WMLDXEAASA-N 2 0 294.439 2.736 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cnn1C(C)(C)C ZINC000665281389 414244659 /nfs/dbraw/zinc/24/46/59/414244659.db2.gz ATUXNGNQWFDTSY-SWLSCSKDSA-N 2 0 280.460 2.971 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000665280946 414244748 /nfs/dbraw/zinc/24/47/48/414244748.db2.gz PWJLJQVKNHRINE-HUUCEWRRSA-N 2 0 250.361 2.776 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279839 414244858 /nfs/dbraw/zinc/24/48/58/414244858.db2.gz NKEUSPMIAZYSPX-YHNBSYBMSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCc1ccco1 ZINC000665282832 414246953 /nfs/dbraw/zinc/24/69/53/414246953.db2.gz CNZVSHCENFZDQH-WMLDXEAASA-N 2 0 272.392 2.760 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000665281629 414248008 /nfs/dbraw/zinc/24/80/08/414248008.db2.gz IBJBKSPDQQFONV-HZPDHXFCSA-N 2 0 262.397 2.733 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C2CCC2)C1 ZINC000665285990 414261027 /nfs/dbraw/zinc/26/10/27/414261027.db2.gz BVJHLHLXQYSHRM-JKSUJKDBSA-N 2 0 250.430 2.983 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C3CCC3)C2)CC1 ZINC000665290388 414263897 /nfs/dbraw/zinc/26/38/97/414263897.db2.gz WPYJBVHDHHUGQV-GOSISDBHSA-N 2 0 293.499 2.525 20 0 CFADRP CC1(C)C[C@]1(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000665300978 414271559 /nfs/dbraw/zinc/27/15/59/414271559.db2.gz LKHTWMNLXGMCIT-INMHGKMJSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@@H]([NH2+]CCCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000658183853 414271695 /nfs/dbraw/zinc/27/16/95/414271695.db2.gz FSYPQVJKSCWGEL-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(c2ccccc2)CC1(C)C)C1C[NH2+]C1 ZINC000665299066 414274078 /nfs/dbraw/zinc/27/40/78/414274078.db2.gz FRLPCNFWUPOMDZ-SUMWQHHRSA-N 2 0 258.409 2.552 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000658192027 414274486 /nfs/dbraw/zinc/27/44/86/414274486.db2.gz RIBOEFPAHYOIIV-QGPMSJSTSA-N 2 0 288.435 2.916 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C)C1 ZINC000658207015 414280816 /nfs/dbraw/zinc/28/08/16/414280816.db2.gz RQAIMIKOFDNOQQ-OWYFMNJBSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000658222203 414295518 /nfs/dbraw/zinc/29/55/18/414295518.db2.gz QAEQCWPMOZGUHO-YPMHNXCESA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658227714 414299361 /nfs/dbraw/zinc/29/93/61/414299361.db2.gz BUICKGRNXJKDEP-JZXOWHBKSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)C1CC[NH+](C)CC1 ZINC000658238548 414308880 /nfs/dbraw/zinc/30/88/80/414308880.db2.gz JXEPNQVCHZPJPA-YVEFUNNKSA-N 2 0 274.408 2.699 20 0 CFADRP C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)C1CC[NH+](C)CC1 ZINC000658268235 414335925 /nfs/dbraw/zinc/33/59/25/414335925.db2.gz LNYRPDOYZFCFNV-CYBMUJFWSA-N 2 0 290.455 2.508 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655683873 414359108 /nfs/dbraw/zinc/35/91/08/414359108.db2.gz WYPORXVWVGUYTD-OCCSQVGLSA-N 2 0 256.459 2.735 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658312719 414366013 /nfs/dbraw/zinc/36/60/13/414366013.db2.gz ALUXFLAFWUDRIQ-CZUORRHYSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000655694940 414369281 /nfs/dbraw/zinc/36/92/81/414369281.db2.gz MPKUZWYBRXAXGQ-WFASDCNBSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655691902 414370324 /nfs/dbraw/zinc/37/03/24/414370324.db2.gz ZYBXGEWHTVREAH-JKSUJKDBSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2nsc3ccccc32)CC[N@@H+]1C ZINC000658317813 414373148 /nfs/dbraw/zinc/37/31/48/414373148.db2.gz MYJHBPWUUBPFLV-CHWSQXEVSA-N 2 0 289.448 2.911 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655716743 414385878 /nfs/dbraw/zinc/38/58/78/414385878.db2.gz MXUZGQVQGYBGSU-ILXRZTDVSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)C1CC[NH+](C)CC1 ZINC000658268236 414334840 /nfs/dbraw/zinc/33/48/40/414334840.db2.gz LNYRPDOYZFCFNV-ZDUSSCGKSA-N 2 0 290.455 2.508 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000655774888 414424112 /nfs/dbraw/zinc/42/41/12/414424112.db2.gz KUIGLJPOLGJTIL-YPMHNXCESA-N 2 0 261.394 2.708 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000655776832 414426496 /nfs/dbraw/zinc/42/64/96/414426496.db2.gz MHNKARRMZLELQM-AHPWVWPOSA-N 2 0 256.459 2.733 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cn2ccccc2n1 ZINC000655776482 414427697 /nfs/dbraw/zinc/42/76/97/414427697.db2.gz HDPOHIPLDLCLEN-NFOMZHRRSA-N 2 0 286.423 2.858 20 0 CFADRP CC1(C)CCC(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000662153177 414434734 /nfs/dbraw/zinc/43/47/34/414434734.db2.gz PEYVFGLRAUENAE-KRWDZBQOSA-N 2 0 294.483 2.734 20 0 CFADRP CC[C@@H](c1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158373 414437865 /nfs/dbraw/zinc/43/78/65/414437865.db2.gz SGIJVSVEEDZTCD-ROUUACIJSA-N 2 0 288.435 2.669 20 0 CFADRP COc1ncc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655803650 414449040 /nfs/dbraw/zinc/44/90/40/414449040.db2.gz BHUYQOONZKAFHP-WZRBSPASSA-N 2 0 297.830 2.734 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000655804299 414449316 /nfs/dbraw/zinc/44/93/16/414449316.db2.gz SPNWWPCUDZFRGR-WZRBSPASSA-N 2 0 289.379 2.524 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1-c1ccccc1 ZINC000655804391 414449671 /nfs/dbraw/zinc/44/96/71/414449671.db2.gz XZWUAYQCHMNRDW-INMHGKMJSA-N 2 0 298.434 2.863 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804445 414449707 /nfs/dbraw/zinc/44/97/07/414449707.db2.gz YUKYPAJEHADSHJ-TYNCELHUSA-N 2 0 292.398 2.751 20 0 CFADRP C[N@H+](CCn1ccnc1)C[C@@H]1CCc2ccccc21 ZINC000662198149 414450076 /nfs/dbraw/zinc/45/00/76/414450076.db2.gz PNTBIJKZTIPTSZ-HNNXBMFYSA-N 2 0 255.365 2.545 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000655806000 414450398 /nfs/dbraw/zinc/45/03/98/414450398.db2.gz WGYAHFLUABYFOP-JRPNMDOOSA-N 2 0 280.362 2.882 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000655805648 414451266 /nfs/dbraw/zinc/45/12/66/414451266.db2.gz JSEVBPATUUFRCE-QCEMKRCNSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000655806719 414451599 /nfs/dbraw/zinc/45/15/99/414451599.db2.gz ZVXYXPYSVNZHTR-BFQNTYOBSA-N 2 0 262.372 2.743 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000655826968 414462942 /nfs/dbraw/zinc/46/29/42/414462942.db2.gz KBHQOZGAFCBJHA-JNSHFYNHSA-N 2 0 257.381 2.598 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000655827627 414464196 /nfs/dbraw/zinc/46/41/96/414464196.db2.gz VMRZIUSRTKVEHM-OTVXOJSOSA-N 2 0 269.392 2.665 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000655827597 414464961 /nfs/dbraw/zinc/46/49/61/414464961.db2.gz UOGYPLVTTLBQGZ-AKAXFMLLSA-N 2 0 284.407 2.507 20 0 CFADRP CC[C@@H](CC(F)F)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000662233480 414465632 /nfs/dbraw/zinc/46/56/32/414465632.db2.gz DTEJURKIVKNGSL-NSHDSACASA-N 2 0 260.372 2.884 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000655837642 414470798 /nfs/dbraw/zinc/47/07/98/414470798.db2.gz GJNVJASLAHJWRF-CQSZACIVSA-N 2 0 275.440 2.865 20 0 CFADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000658353960 414397234 /nfs/dbraw/zinc/39/72/34/414397234.db2.gz UUKOUFIPVNLOCV-CQSZACIVSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000658355359 414399691 /nfs/dbraw/zinc/39/96/91/414399691.db2.gz IKFUJTNHJNVRNG-CQSZACIVSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000662245665 414474464 /nfs/dbraw/zinc/47/44/64/414474464.db2.gz MXUWOPKRRZPVJI-LBPRGKRZSA-N 2 0 289.448 2.898 20 0 CFADRP C[NH2+]C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662246398 414474837 /nfs/dbraw/zinc/47/48/37/414474837.db2.gz WYGBYUDWNRCHCR-HNNXBMFYSA-N 2 0 258.409 2.790 20 0 CFADRP Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)c(C)c1 ZINC000662250613 414475824 /nfs/dbraw/zinc/47/58/24/414475824.db2.gz JIRJQVXORQSBKG-HZPDHXFCSA-N 2 0 288.435 2.817 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253072 414475946 /nfs/dbraw/zinc/47/59/46/414475946.db2.gz UMENBOYSSZEPGB-IAGOWNOFSA-N 2 0 288.435 2.981 20 0 CFADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250862 414476722 /nfs/dbraw/zinc/47/67/22/414476722.db2.gz PYJDSEYZMQEOIV-OAHLLOKOSA-N 2 0 294.826 2.683 20 0 CFADRP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1ccc(F)cc1 ZINC000662251638 414477339 /nfs/dbraw/zinc/47/73/39/414477339.db2.gz GZFUFAAKTSBEOZ-CJNGLKHVSA-N 2 0 292.398 2.730 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655848977 414477551 /nfs/dbraw/zinc/47/75/51/414477551.db2.gz NAEOWIVWZVDFQU-IRXDYDNUSA-N 2 0 293.499 2.856 20 0 CFADRP CC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250647 414477655 /nfs/dbraw/zinc/47/76/55/414477655.db2.gz KQFKRDSQSJURTP-AWEZNQCLSA-N 2 0 294.826 2.683 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CCCCO2)CC1 ZINC000655850816 414478579 /nfs/dbraw/zinc/47/85/79/414478579.db2.gz YZPXZQBSFGBMAY-JKSUJKDBSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCCO1 ZINC000655849793 414479836 /nfs/dbraw/zinc/47/98/36/414479836.db2.gz QCFLCOQSZFXPKQ-UGUYLWEFSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662266524 414483307 /nfs/dbraw/zinc/48/33/07/414483307.db2.gz MWMXYOOGIVXMIC-BPUTZDHNSA-N 2 0 258.409 2.776 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3nsc4ccccc43)C[C@@H]12 ZINC000662266747 414483639 /nfs/dbraw/zinc/48/36/39/414483639.db2.gz OSMDQCJKSAKAMU-IACUBPJLSA-N 2 0 287.432 2.508 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3nsc4ccccc43)C[C@@H]12 ZINC000662266752 414485033 /nfs/dbraw/zinc/48/50/33/414485033.db2.gz OSMDQCJKSAKAMU-MRVWCRGKSA-N 2 0 287.432 2.508 20 0 CFADRP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000662265232 414485407 /nfs/dbraw/zinc/48/54/07/414485407.db2.gz GQBBTUQWOSEJRX-ULQDDVLXSA-N 2 0 258.409 2.979 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662272603 414488314 /nfs/dbraw/zinc/48/83/14/414488314.db2.gz GXJPPIWDNGYCON-DOTOQJQBSA-N 2 0 258.409 2.777 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662272008 414488996 /nfs/dbraw/zinc/48/89/96/414488996.db2.gz BCMLZNUJARAYMP-QZTJIDSGSA-N 2 0 288.435 2.525 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274725 414491415 /nfs/dbraw/zinc/49/14/15/414491415.db2.gz KVAVNFDRNROETJ-RDBSUJKOSA-N 2 0 274.399 2.989 20 0 CFADRP [NH3+][C@@H]1CN(CCC2CCC2)C[C@H]1c1ccccc1F ZINC000662279962 414492600 /nfs/dbraw/zinc/49/26/00/414492600.db2.gz BNBUYKDFZUOCMH-GOEBONIOSA-N 2 0 262.372 2.742 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000662276484 414492625 /nfs/dbraw/zinc/49/26/25/414492625.db2.gz NJJSFAJLTZWKBJ-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000662282629 414495125 /nfs/dbraw/zinc/49/51/25/414495125.db2.gz PKNAXXLJAXAHJG-KGLIPLIRSA-N 2 0 294.464 2.704 20 0 CFADRP c1cc(CCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000662292112 414497170 /nfs/dbraw/zinc/49/71/70/414497170.db2.gz MPELVYLQQCZSQQ-GOSISDBHSA-N 2 0 287.451 2.726 20 0 CFADRP C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H]1CCCCO1 ZINC000662294737 414498211 /nfs/dbraw/zinc/49/82/11/414498211.db2.gz SKMOGWPEWKEREN-DLBZAZTESA-N 2 0 280.456 2.657 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295692 414498246 /nfs/dbraw/zinc/49/82/46/414498246.db2.gz WLOUPAFQICQVHU-LLLHUVSDSA-N 2 0 262.441 2.744 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CCC1 ZINC000662295208 414498681 /nfs/dbraw/zinc/49/86/81/414498681.db2.gz UEPJEWKIWBMXCO-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CCCC1 ZINC000662294593 414498688 /nfs/dbraw/zinc/49/86/88/414498688.db2.gz RGTNUBNWEVFGFD-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP COc1ccc([C@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1F ZINC000662305250 414500856 /nfs/dbraw/zinc/50/08/56/414500856.db2.gz FXBFKCAUMZMRMR-SWLSCSKDSA-N 2 0 278.371 2.581 20 0 CFADRP [NH3+]CC12CC(C1)CN2CC[C@H]1CCc2ccccc21 ZINC000662305244 414501155 /nfs/dbraw/zinc/50/11/55/414501155.db2.gz FVAWTSBCNGSWFC-GNHJJJEISA-N 2 0 256.393 2.530 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)[C@@H]1CCC[NH3+] ZINC000662312171 414504103 /nfs/dbraw/zinc/50/41/03/414504103.db2.gz HGRLVYTYNFUGIQ-MLGOLLRUSA-N 2 0 277.412 2.891 20 0 CFADRP CCCCC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662319252 414505280 /nfs/dbraw/zinc/50/52/80/414505280.db2.gz LKVCXYIWZQHXEA-HOTGVXAUSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662322612 414507138 /nfs/dbraw/zinc/50/71/38/414507138.db2.gz WHRXOQAMXSKYQF-AEFFLSMTSA-N 2 0 290.451 2.833 20 0 CFADRP CCc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321832 414507328 /nfs/dbraw/zinc/50/73/28/414507328.db2.gz DTSQRPGGGPWZCH-SFHVURJKSA-N 2 0 290.451 2.792 20 0 CFADRP CC(C)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326923 414507479 /nfs/dbraw/zinc/50/74/79/414507479.db2.gz AQXUCOUWBBSFNK-UHFFFAOYSA-N 2 0 290.455 2.712 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CCC(C)(C)C2CC2)CCO1 ZINC000662326126 414508012 /nfs/dbraw/zinc/50/80/12/414508012.db2.gz OIEVYLJFOJLRRJ-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc3N2)C1 ZINC000656193537 414530879 /nfs/dbraw/zinc/53/08/79/414530879.db2.gz MBUFICBBPYPHDI-OWCLPIDISA-N 2 0 273.424 2.663 20 0 CFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC000656196053 414532428 /nfs/dbraw/zinc/53/24/28/414532428.db2.gz WZTCJMADWZGMNO-KGLIPLIRSA-N 2 0 287.407 2.579 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000656202169 414533777 /nfs/dbraw/zinc/53/37/77/414533777.db2.gz ZIAWDORCFDYFDU-ZJPYXAASSA-N 2 0 285.435 2.738 20 0 CFADRP Cc1cnc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000656201399 414534204 /nfs/dbraw/zinc/53/42/04/414534204.db2.gz WWEBQPSKIANLKS-AEFFLSMTSA-N 2 0 281.403 2.975 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)[C@H]1CCC[NH2+]1 ZINC000656200726 414534686 /nfs/dbraw/zinc/53/46/86/414534686.db2.gz CYUKXYCUSWDYMY-DMDPSCGWSA-N 2 0 260.372 2.931 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000659860174 414592107 /nfs/dbraw/zinc/59/21/07/414592107.db2.gz WNQVBAIRNMLRRL-GOSISDBHSA-N 2 0 292.467 2.846 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000659927930 414618687 /nfs/dbraw/zinc/61/86/87/414618687.db2.gz RWQRNSZKNUCNGV-WBVHZDCISA-N 2 0 272.436 2.990 20 0 CFADRP CCc1ccc([C@@H]2CCCN2C[C@H](O)C[N@H+](C)C(C)C)o1 ZINC000659938384 414622847 /nfs/dbraw/zinc/62/28/47/414622847.db2.gz KYMLYLSOEFVUIH-ZBFHGGJFSA-N 2 0 294.439 2.680 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C[C@H]1CCC[NH+](C)C1 ZINC000659946629 414624991 /nfs/dbraw/zinc/62/49/91/414624991.db2.gz HSGFCSWBWWWFTI-FXUDXRNXSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000656275286 414557995 /nfs/dbraw/zinc/55/79/95/414557995.db2.gz WMGJVPHPMRXUDY-HNNXBMFYSA-N 2 0 296.418 2.666 20 0 CFADRP CO[C@H](C[NH+]1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000659838279 414578200 /nfs/dbraw/zinc/57/82/00/414578200.db2.gz LORAUWXFOPVFCQ-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP C(C1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1)[NH+]1CCCC1 ZINC000659843388 414581569 /nfs/dbraw/zinc/58/15/69/414581569.db2.gz TWOZGJBELDTEKX-BJWYYQGGSA-N 2 0 262.441 2.840 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCC1 ZINC000659956818 414632157 /nfs/dbraw/zinc/63/21/57/414632157.db2.gz NGMNLXHKVBSJQO-WBVHZDCISA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000038098185 174113588 /nfs/dbraw/zinc/11/35/88/174113588.db2.gz XBSOCYXCMBWQIO-UHFFFAOYSA-N 2 0 288.395 2.552 20 0 CFADRP CC(C)[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCCC2 ZINC000656700981 414644122 /nfs/dbraw/zinc/64/41/22/414644122.db2.gz YMNIYBPILCEULV-HOTGVXAUSA-N 2 0 282.472 2.588 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000372408656 287289742 /nfs/dbraw/zinc/28/97/42/287289742.db2.gz LYOSKYIHUTXDCR-BSWAZPDLSA-N 2 0 294.483 2.779 20 0 CFADRP Cc1nc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)o1 ZINC000660115681 414664870 /nfs/dbraw/zinc/66/48/70/414664870.db2.gz YUTRWCMGIFNYKH-XHDPSFHLSA-N 2 0 274.368 2.571 20 0 CFADRP C[NH+](C)CCCC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660157157 414673136 /nfs/dbraw/zinc/67/31/36/414673136.db2.gz IZWHVFABIBGBJK-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](C)CC2)o1 ZINC000044515415 175189875 /nfs/dbraw/zinc/18/98/75/175189875.db2.gz ZCPIPHXUGGRSTL-DOMZBBRYSA-N 2 0 262.397 2.834 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000044515673 175189929 /nfs/dbraw/zinc/18/99/29/175189929.db2.gz IEZNSFXAUPSHKF-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)s1 ZINC000044516006 175189988 /nfs/dbraw/zinc/18/99/88/175189988.db2.gz ULOZRMMWUMYQFU-JTQLQIEISA-N 2 0 267.442 2.752 20 0 CFADRP CCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000044516090 175189994 /nfs/dbraw/zinc/18/99/94/175189994.db2.gz YFJROBNOSFOTNH-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000044515627 175190043 /nfs/dbraw/zinc/19/00/43/175190043.db2.gz YUAPJIUDLZHORA-ZDUSSCGKSA-N 2 0 292.423 2.696 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000044515733 175190183 /nfs/dbraw/zinc/19/01/83/175190183.db2.gz ZGSIGRSVJNMMJH-AWEZNQCLSA-N 2 0 276.424 2.645 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516444 175190461 /nfs/dbraw/zinc/19/04/61/175190461.db2.gz HNOVSZNRIUBYCH-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000044517528 175190468 /nfs/dbraw/zinc/19/04/68/175190468.db2.gz QWOVDNIHKDYMIX-ZDUSSCGKSA-N 2 0 290.407 2.798 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000044517214 175190595 /nfs/dbraw/zinc/19/05/95/175190595.db2.gz LLANPOSXVBZBPN-ZDUSSCGKSA-N 2 0 250.386 2.971 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OC)c2)CC1 ZINC000044517317 175190630 /nfs/dbraw/zinc/19/06/30/175190630.db2.gz XQQAUKUNOYGDDY-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044516434 175190651 /nfs/dbraw/zinc/19/06/51/175190651.db2.gz UXGRKJIZLJGRNT-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+]1CCC(CNc2cc[nH+]c3ccccc23)CC1 ZINC000044526204 175191493 /nfs/dbraw/zinc/19/14/93/175191493.db2.gz ARZRIIJDEUIAIX-UHFFFAOYSA-N 2 0 255.365 2.989 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044528049 175193034 /nfs/dbraw/zinc/19/30/34/175193034.db2.gz CZSSIDPIIOOGHP-HNNXBMFYSA-N 2 0 262.397 2.645 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000044530389 175195037 /nfs/dbraw/zinc/19/50/37/175195037.db2.gz HEVSBMKCBALZSQ-HNNXBMFYSA-N 2 0 284.403 2.889 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(c3ccccc3)C2)C1 ZINC000044533451 175197407 /nfs/dbraw/zinc/19/74/07/175197407.db2.gz CSAPKCCRDSFJPW-ODIFPOPNSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000044534726 175197524 /nfs/dbraw/zinc/19/75/24/175197524.db2.gz IGWWELIJBATUPX-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000044534365 175197606 /nfs/dbraw/zinc/19/76/06/175197606.db2.gz HQAANOJHOJNAAC-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000044534165 175197686 /nfs/dbraw/zinc/19/76/86/175197686.db2.gz HULYHLOLIOGDCI-STQMWFEESA-N 2 0 280.387 2.827 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000044534885 175198985 /nfs/dbraw/zinc/19/89/85/175198985.db2.gz HFUJPIPMZIJIDE-ZDUSSCGKSA-N 2 0 252.789 2.771 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000070170967 175877625 /nfs/dbraw/zinc/87/76/25/175877625.db2.gz YAEVPRFIDONLQB-LBPRGKRZSA-N 2 0 291.420 2.964 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000071142072 176040421 /nfs/dbraw/zinc/04/04/21/176040421.db2.gz YYHXNRHALOFHTP-OAHLLOKOSA-N 2 0 284.403 2.890 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)CC(C)(C)C ZINC000393441997 270307299 /nfs/dbraw/zinc/30/72/99/270307299.db2.gz OFKIQGHDKWPUEH-RBSFLKMASA-N 2 0 270.461 2.684 20 0 CFADRP C[C@H]([NH2+][C@@H]1COC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990002 227378418 /nfs/dbraw/zinc/37/84/18/227378418.db2.gz UFXWRWHYPDLLAA-ZNMIVQPWSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417877657 287348358 /nfs/dbraw/zinc/34/83/58/287348358.db2.gz RQHMQRBOXAEPLX-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414841406 292630116 /nfs/dbraw/zinc/63/01/16/292630116.db2.gz NYLPVRFNSIMZMP-CVEARBPZSA-N 2 0 260.425 2.905 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400968400 420503107 /nfs/dbraw/zinc/50/31/07/420503107.db2.gz OBFZUKBSFCOPNF-JHJVBQTASA-N 2 0 250.411 2.534 20 0 CFADRP c1cnc2c(c1)cccc2CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401049348 420504161 /nfs/dbraw/zinc/50/41/61/420504161.db2.gz SMBDCPCZLPLHAV-KZNAEPCWSA-N 2 0 295.430 2.755 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000400923836 420502230 /nfs/dbraw/zinc/50/22/30/420502230.db2.gz GUIIZAODXDVSNO-VNHYZAJKSA-N 2 0 250.430 2.790 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](CCC2=CCCCC2)CC1 ZINC000517755397 260180821 /nfs/dbraw/zinc/18/08/21/260180821.db2.gz WTNOHNPCIOYJPM-UHFFFAOYSA-N 2 0 280.456 2.702 20 0 CFADRP CCn1c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)nc2ccccc21 ZINC000517892140 260314943 /nfs/dbraw/zinc/31/49/43/260314943.db2.gz IGBPRVXHGVBTBX-ZIAGYGMSSA-N 2 0 286.423 2.663 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OC ZINC000394487425 260979450 /nfs/dbraw/zinc/97/94/50/260979450.db2.gz PCJBBGRCRXYWNI-NNXHMXCWSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390519731 262204406 /nfs/dbraw/zinc/20/44/06/262204406.db2.gz FTOBORFENYSDKG-SJLPKXTDSA-N 2 0 289.467 2.758 20 0 CFADRP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393432213 262357002 /nfs/dbraw/zinc/35/70/02/262357002.db2.gz JDMVFOBGQRNUNZ-KCPJHIHWSA-N 2 0 262.397 2.518 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)ccn1 ZINC000391129717 262382689 /nfs/dbraw/zinc/38/26/89/262382689.db2.gz FWTNMQHPUISXQM-HOCLYGCPSA-N 2 0 261.413 2.790 20 0 CFADRP CC(C)(C)c1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258910438 270274648 /nfs/dbraw/zinc/27/46/48/270274648.db2.gz ICXXYBSVGQHTDY-HOTGVXAUSA-N 2 0 260.425 2.996 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000192721991 270233617 /nfs/dbraw/zinc/23/36/17/270233617.db2.gz ZXCFJLBPQLKKPE-QZTJIDSGSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000192721978 270233654 /nfs/dbraw/zinc/23/36/54/270233654.db2.gz ZXCFJLBPQLKKPE-ROUUACIJSA-N 2 0 295.515 2.913 20 0 CFADRP CCCC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000236844987 270263895 /nfs/dbraw/zinc/26/38/95/270263895.db2.gz ZLSNGCWLUPZRCU-AWEZNQCLSA-N 2 0 277.412 2.513 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000237230525 270265855 /nfs/dbraw/zinc/26/58/55/270265855.db2.gz QTAKLHZQULBHAP-CXAGYDPISA-N 2 0 297.402 2.681 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237226970 270265899 /nfs/dbraw/zinc/26/58/99/270265899.db2.gz CYBLBBZDUAUNFX-HZPDHXFCSA-N 2 0 289.423 2.642 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000258898949 270274302 /nfs/dbraw/zinc/27/43/02/270274302.db2.gz DEMRPUUCOGYSQY-OAHLLOKOSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000258855765 270274392 /nfs/dbraw/zinc/27/43/92/270274392.db2.gz FININZANFRAPAV-UONOGXRCSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc2ccccc2c1 ZINC000258874155 270274518 /nfs/dbraw/zinc/27/45/18/270274518.db2.gz GEEVJRVLVIFENY-IAGOWNOFSA-N 2 0 254.377 2.852 20 0 CFADRP c1ccc2cc(C[NH2+]CC[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000258904533 270274654 /nfs/dbraw/zinc/27/46/54/270274654.db2.gz DUNBDOXJFRYXHP-AWEZNQCLSA-N 2 0 254.377 2.929 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000258783695 270274975 /nfs/dbraw/zinc/27/49/75/270274975.db2.gz BNRQMIIEWNUEEK-KGLIPLIRSA-N 2 0 250.361 2.573 20 0 CFADRP CCCOc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000315158972 270291390 /nfs/dbraw/zinc/29/13/90/270291390.db2.gz HNWOBTNXJRFULG-CALCHBBNSA-N 2 0 288.435 2.907 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCC1 ZINC000322597213 270296134 /nfs/dbraw/zinc/29/61/34/270296134.db2.gz XLIXNGOMUZLMPN-QZTJIDSGSA-N 2 0 295.515 2.817 20 0 CFADRP c1csc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000391219504 270306146 /nfs/dbraw/zinc/30/61/46/270306146.db2.gz YFYXSKSYQFWJKJ-SOUVJXGZSA-N 2 0 293.480 2.976 20 0 CFADRP C[C@H](CCCO)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000395046905 270310980 /nfs/dbraw/zinc/31/09/80/270310980.db2.gz PYRVBPPGECTOHK-SJLPKXTDSA-N 2 0 290.451 2.649 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H]1C[NH3+] ZINC000397464141 270318465 /nfs/dbraw/zinc/31/84/65/270318465.db2.gz SIABZTVAJGEACY-INMHGKMJSA-N 2 0 298.434 2.678 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000399194671 270327099 /nfs/dbraw/zinc/32/70/99/270327099.db2.gz RMNDHERHWYMMOW-MRXNPFEDSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423012106 270332674 /nfs/dbraw/zinc/33/26/74/270332674.db2.gz CJMUUKMHKMHZRC-NBLIUIFLSA-N 2 0 284.350 2.510 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000423012104 270332697 /nfs/dbraw/zinc/33/26/97/270332697.db2.gz CJMUUKMHKMHZRC-FCIDVOKBSA-N 2 0 284.350 2.510 20 0 CFADRP [NH3+]CCC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000516872815 270390057 /nfs/dbraw/zinc/39/00/57/270390057.db2.gz QEBVDLGTSWDJFB-UHFFFAOYSA-N 2 0 264.388 2.819 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000516914474 270391136 /nfs/dbraw/zinc/39/11/36/270391136.db2.gz XBIBBEPNRGIWCI-KKUMJFAQSA-N 2 0 274.408 2.530 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000517246965 270401194 /nfs/dbraw/zinc/40/11/94/270401194.db2.gz FQRDMYUPHLJBOK-KGLIPLIRSA-N 2 0 261.413 2.527 20 0 CFADRP CC1(C)CC(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000528387384 270616186 /nfs/dbraw/zinc/61/61/86/270616186.db2.gz MTYMTZSWVQPTQZ-CQSZACIVSA-N 2 0 250.430 2.840 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1CCc2ccccc2CC1 ZINC000530212645 270770659 /nfs/dbraw/zinc/77/06/59/270770659.db2.gz RTODDRBNXJXUNG-DLBZAZTESA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423487257 533688892 /nfs/dbraw/zinc/68/88/92/533688892.db2.gz UAECUDIPICXWGR-CABCVRRESA-N 2 0 289.423 2.526 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414826673 273563907 /nfs/dbraw/zinc/56/39/07/273563907.db2.gz GAECMWQPGWYNIN-RVKKMQEKSA-N 2 0 289.467 2.788 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000335905079 273868283 /nfs/dbraw/zinc/86/82/83/273868283.db2.gz DZXIHYMFQMYFJZ-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC2 ZINC000336836533 274132627 /nfs/dbraw/zinc/13/26/27/274132627.db2.gz WQYKUGNTZKWVFI-GUYCJALGSA-N 2 0 276.424 2.860 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423546508 274135837 /nfs/dbraw/zinc/13/58/37/274135837.db2.gz FKLBFQIDNXZBRD-GOSISDBHSA-N 2 0 286.419 2.972 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000414995337 274153253 /nfs/dbraw/zinc/15/32/53/274153253.db2.gz FGZPPCOWOFLIAX-IMJJTQAJSA-N 2 0 288.435 2.660 20 0 CFADRP C[C@@H]([NH2+]CCC1Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000423014464 274246745 /nfs/dbraw/zinc/24/67/45/274246745.db2.gz PDQDCBLIXLXPDR-KDOFPFPSSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-n2ccnc2)cc1 ZINC000423368652 274247747 /nfs/dbraw/zinc/24/77/47/274247747.db2.gz SDKNEPKMXVAOJE-GDBMZVCRSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000414909584 274278265 /nfs/dbraw/zinc/27/82/65/274278265.db2.gz SWMHTBQWDCLJOR-JQHSSLGASA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422739898 274296555 /nfs/dbraw/zinc/29/65/55/274296555.db2.gz AQHQQEKZQZVGFM-DUQPFJRNSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1SCCc2ccccc21 ZINC000361965591 274336141 /nfs/dbraw/zinc/33/61/41/274336141.db2.gz HIRHYMKYZWRWFS-KBRIMQKVSA-N 2 0 290.476 2.947 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccccc3[C@@H]2C)CC[NH2+]1 ZINC000414691811 274385662 /nfs/dbraw/zinc/38/56/62/274385662.db2.gz JQYGYOFCNPHLFN-ILXRZTDVSA-N 2 0 258.409 2.994 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCc3c2cccc3F)CCC[NH2+]C1 ZINC000423331507 274451108 /nfs/dbraw/zinc/45/11/08/274451108.db2.gz ONKQFURWYZVOLV-JKSUJKDBSA-N 2 0 262.372 2.792 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc(C)c1F ZINC000361894864 274722072 /nfs/dbraw/zinc/72/20/72/274722072.db2.gz ZDLCDRGEFFHMOV-AWEZNQCLSA-N 2 0 294.414 2.550 20 0 CFADRP [NH3+]CCOCC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000357083242 274946207 /nfs/dbraw/zinc/94/62/07/274946207.db2.gz XXRVBZHBGXARGU-UHFFFAOYSA-N 2 0 282.387 2.645 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422993741 274955277 /nfs/dbraw/zinc/95/52/77/274955277.db2.gz UEUKDUBIZDAHIL-HSFUPAIVSA-N 2 0 270.420 2.822 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000423456857 274957794 /nfs/dbraw/zinc/95/77/94/274957794.db2.gz HINYDOPJNFOSJA-SGIREYDYSA-N 2 0 262.372 2.920 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)C[NH2+]C3)C2 ZINC000423359359 275070037 /nfs/dbraw/zinc/07/00/37/275070037.db2.gz PACMUNXXDJYROF-IBGZPJMESA-N 2 0 278.399 2.937 20 0 CFADRP C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCOCC1 ZINC000432781290 275393417 /nfs/dbraw/zinc/39/34/17/275393417.db2.gz QPAUYJHFRHGDPZ-WMZOPIPTSA-N 2 0 292.467 2.752 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)CS1 ZINC000459729039 276001846 /nfs/dbraw/zinc/00/18/46/276001846.db2.gz DDKVDWKSNSCXLT-ILXRZTDVSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CS1 ZINC000488429172 276003254 /nfs/dbraw/zinc/00/32/54/276003254.db2.gz BWKMTVZXIBTQQB-AJNGGQMLSA-N 2 0 270.486 2.979 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000453105100 276004107 /nfs/dbraw/zinc/00/41/07/276004107.db2.gz GTGICQKHYJDBJQ-HIFRSBDPSA-N 2 0 276.428 2.601 20 0 CFADRP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415004070 276027315 /nfs/dbraw/zinc/02/73/15/276027315.db2.gz HGEWVZIDYDQWPN-FXUDXRNXSA-N 2 0 250.430 2.789 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000249153557 276075749 /nfs/dbraw/zinc/07/57/49/276075749.db2.gz VPAJFYFTVSYZQW-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccncn2)c1 ZINC000453110678 276076301 /nfs/dbraw/zinc/07/63/01/276076301.db2.gz RAIWDUZHWBHZIM-CQSZACIVSA-N 2 0 284.407 2.779 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000349689878 276100142 /nfs/dbraw/zinc/10/01/42/276100142.db2.gz DKPBSKOIIZFTDB-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422837984 276105732 /nfs/dbraw/zinc/10/57/32/276105732.db2.gz NJTGTXKFCLBVRC-LTIDMASMSA-N 2 0 281.488 2.617 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000155920527 276198613 /nfs/dbraw/zinc/19/86/13/276198613.db2.gz NFHPBJCUVHLXNC-INIZCTEOSA-N 2 0 250.430 2.840 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC000336838541 276198688 /nfs/dbraw/zinc/19/86/88/276198688.db2.gz QOSZMPHZZAJCLF-ROUUACIJSA-N 2 0 294.483 2.857 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H](C)F)CC1 ZINC000339495686 276203650 /nfs/dbraw/zinc/20/36/50/276203650.db2.gz NIJYJKAWQUIRSH-HNNXBMFYSA-N 2 0 293.430 2.666 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423292190 276213655 /nfs/dbraw/zinc/21/36/55/276213655.db2.gz LXADENYTJSAOMG-RBSFLKMASA-N 2 0 268.445 2.689 20 0 CFADRP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000311667902 276219473 /nfs/dbraw/zinc/21/94/73/276219473.db2.gz OWGJIBXHBWWMBJ-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC(C)(C)O2)C[C@H]1C ZINC000336804326 276224865 /nfs/dbraw/zinc/22/48/65/276224865.db2.gz ZKQGMKLMFFVXFN-ILXRZTDVSA-N 2 0 268.445 2.749 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358304424 276231072 /nfs/dbraw/zinc/23/10/72/276231072.db2.gz SYAFGFJFVJCHTP-AVGNSLFASA-N 2 0 260.372 2.884 20 0 CFADRP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000433171520 276274779 /nfs/dbraw/zinc/27/47/79/276274779.db2.gz ANQMOKGKISCBOA-ZACQAIPSSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422743504 276308522 /nfs/dbraw/zinc/30/85/22/276308522.db2.gz RPMLTYNJWOAAQB-MAUKXSAKSA-N 2 0 289.467 2.759 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248586405 276332106 /nfs/dbraw/zinc/33/21/06/276332106.db2.gz VWQRQSGNUBXASX-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000343035524 276334911 /nfs/dbraw/zinc/33/49/11/276334911.db2.gz SSUHAFMENAKGFB-YJBOKZPZSA-N 2 0 289.467 2.568 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449756840 276336616 /nfs/dbraw/zinc/33/66/16/276336616.db2.gz BZSXULJKVBGIJZ-HZPDHXFCSA-N 2 0 268.445 2.797 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449761612 276337500 /nfs/dbraw/zinc/33/75/00/276337500.db2.gz ZGUMJKFINBUBGX-CAOSSQGBSA-N 2 0 266.429 2.551 20 0 CFADRP CCO[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000451535000 276338655 /nfs/dbraw/zinc/33/86/55/276338655.db2.gz YDTVSHWYIMFUNJ-ARFHVFGLSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421331437 276385476 /nfs/dbraw/zinc/38/54/76/276385476.db2.gz JSPDZOCIUDPTPX-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCOC)CCCC2)[C@H](C)C1 ZINC000122346381 276396012 /nfs/dbraw/zinc/39/60/12/276396012.db2.gz HEXSOVGKZLDYGT-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423068024 276437298 /nfs/dbraw/zinc/43/72/98/276437298.db2.gz APDMHMZFORONKF-ZJPYXAASSA-N 2 0 288.435 2.884 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401009916 276469832 /nfs/dbraw/zinc/46/98/32/276469832.db2.gz GLOIQEFTMZSXAT-RBGFHDKUSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422733387 276532725 /nfs/dbraw/zinc/53/27/25/276532725.db2.gz QXTQOQKTKVSPCK-IXDOHACOSA-N 2 0 293.430 2.549 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)C ZINC000246287058 276583586 /nfs/dbraw/zinc/58/35/86/276583586.db2.gz BXSGPGXNSDCQHY-GVDBMIGSSA-N 2 0 282.472 2.779 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCC1 ZINC000449188678 276583637 /nfs/dbraw/zinc/58/36/37/276583637.db2.gz NYMRFSACLMOHHZ-KSZLIROESA-N 2 0 294.483 2.923 20 0 CFADRP C(C[NH2+]C1C2CC3CC(C2)CC1C3)C[C@@H]1CCC[NH2+]1 ZINC000423468526 276810810 /nfs/dbraw/zinc/81/08/10/276810810.db2.gz CCHFXCMUQJEDIP-IKXAHOJESA-N 2 0 262.441 2.933 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000339131417 277043977 /nfs/dbraw/zinc/04/39/77/277043977.db2.gz HZIQQGJKRQTITN-IAGOWNOFSA-N 2 0 280.456 2.609 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423480422 277083322 /nfs/dbraw/zinc/08/33/22/277083322.db2.gz WCRVMBAQJJCMFO-DUVNUKRYSA-N 2 0 289.423 2.813 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000334208224 277151902 /nfs/dbraw/zinc/15/19/02/277151902.db2.gz JWKWLKDCNMCSHI-HUUCEWRRSA-N 2 0 268.445 2.533 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOC2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000353385081 277170951 /nfs/dbraw/zinc/17/09/51/277170951.db2.gz JOXDTCQBNJBFSM-IKGGRYGDSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000375835888 277171097 /nfs/dbraw/zinc/17/10/97/277171097.db2.gz ADZJGSNINDIYFO-VWYCJHECSA-N 2 0 282.375 2.702 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@H]2CCC[C@H]21 ZINC000421869945 277171625 /nfs/dbraw/zinc/17/16/25/277171625.db2.gz FETYKTFXUKBORA-XUWVNRHRSA-N 2 0 294.508 2.982 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423572622 277173332 /nfs/dbraw/zinc/17/33/32/277173332.db2.gz YKIHAZCOLZODTC-OKZBNKHCSA-N 2 0 287.451 2.554 20 0 CFADRP COC1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCC(C)CC1 ZINC000359029583 277188454 /nfs/dbraw/zinc/18/84/54/277188454.db2.gz NVCJOVGHPUMUDW-PYBGIAKNSA-N 2 0 268.445 2.654 20 0 CFADRP COC1([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000421821657 277190434 /nfs/dbraw/zinc/19/04/34/277190434.db2.gz SNZAJLBOHUKBMK-AWEZNQCLSA-N 2 0 280.456 2.798 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000342744548 277241117 /nfs/dbraw/zinc/24/11/17/277241117.db2.gz LGIRMDSXKFHSJP-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000157561137 277247244 /nfs/dbraw/zinc/24/72/44/277247244.db2.gz FPZGBZBERZOFQS-QGZVFWFLSA-N 2 0 280.456 2.798 20 0 CFADRP COC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000447573676 277262162 /nfs/dbraw/zinc/26/21/62/277262162.db2.gz SVELDPQKZJQLQY-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000435874564 277267589 /nfs/dbraw/zinc/26/75/89/277267589.db2.gz LLEHRCNPUGBJCZ-IUODEOHRSA-N 2 0 250.361 2.818 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000423267840 277274800 /nfs/dbraw/zinc/27/48/00/277274800.db2.gz FKELHNUOHHSCNN-ZWNOBZJWSA-N 2 0 252.377 2.949 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000359950977 277325981 /nfs/dbraw/zinc/32/59/81/277325981.db2.gz WUXLZXMTXKVVKT-LVQVYYBASA-N 2 0 270.461 2.758 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353387326 277332282 /nfs/dbraw/zinc/33/22/82/277332282.db2.gz OMBHELPXDXYODZ-BRSBDYLESA-N 2 0 288.435 2.837 20 0 CFADRP CC(C)CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349303885 277351315 /nfs/dbraw/zinc/35/13/15/277351315.db2.gz ZHYOSHVQHPXSJD-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CO[C@]1(C)C[C@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)C1(C)C ZINC000125310397 277359840 /nfs/dbraw/zinc/35/98/40/277359840.db2.gz WJTXYPOGJHPRHF-OFQRWUPVSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415048775 277363756 /nfs/dbraw/zinc/36/37/56/277363756.db2.gz XHVHWVPRFWGTSH-XHSDSOJGSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491324 277447697 /nfs/dbraw/zinc/44/76/97/277447697.db2.gz ZANDPQDWMMVJBW-IUODEOHRSA-N 2 0 292.398 2.943 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423093834 277592524 /nfs/dbraw/zinc/59/25/24/277592524.db2.gz IOVSEENXGHOJOE-KNXWPPODSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430954428 277678897 /nfs/dbraw/zinc/67/88/97/277678897.db2.gz JLVXNKHFVNQVCA-HUUCEWRRSA-N 2 0 250.430 2.888 20 0 CFADRP C(C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000423478780 277719472 /nfs/dbraw/zinc/71/94/72/277719472.db2.gz LMAQATDONSESCC-YYIAUSFCSA-N 2 0 280.456 2.704 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423359429 277849040 /nfs/dbraw/zinc/84/90/40/277849040.db2.gz PFECLUTWBZWJRJ-IUODEOHRSA-N 2 0 278.371 2.553 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCC23CCC3)C[C@@H](C)O1 ZINC000337421073 277889191 /nfs/dbraw/zinc/88/91/91/277889191.db2.gz FRVNSGNBGMWXQQ-OAGGEKHMSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423335687 277942759 /nfs/dbraw/zinc/94/27/59/277942759.db2.gz GOQYINHYZBYTCL-KRWDZBQOSA-N 2 0 286.419 2.927 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000488449627 277963648 /nfs/dbraw/zinc/96/36/48/277963648.db2.gz PSMGXUPMPJZWQG-HUUCEWRRSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H](C)O1 ZINC000414260585 277971644 /nfs/dbraw/zinc/97/16/44/277971644.db2.gz GIDXOEVUNHNOEV-RDBSUJKOSA-N 2 0 268.445 2.652 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCS2 ZINC000423243007 277981930 /nfs/dbraw/zinc/98/19/30/277981930.db2.gz GAXCRMBKJCPODZ-DOMZBBRYSA-N 2 0 292.448 2.821 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423456057 277992170 /nfs/dbraw/zinc/99/21/70/277992170.db2.gz NMZDRIHMPOUSHK-MLGOLLRUSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340185218 278002562 /nfs/dbraw/zinc/00/25/62/278002562.db2.gz JCBUHGBDONMQCG-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414777966 278010128 /nfs/dbraw/zinc/01/01/28/278010128.db2.gz ISBDLQYIVUOWJU-JKSUJKDBSA-N 2 0 274.408 2.517 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)CC[NH2+]1 ZINC000414689457 278012442 /nfs/dbraw/zinc/01/24/42/278012442.db2.gz GIHMZALTXOOCET-KYHPRHEASA-N 2 0 288.435 2.837 20 0 CFADRP CC(C)c1ccc(C[C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000423022682 278038025 /nfs/dbraw/zinc/03/80/25/278038025.db2.gz IDUVQRJQXNFOHZ-ZIAGYGMSSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422755548 278041848 /nfs/dbraw/zinc/04/18/48/278041848.db2.gz FTPRDTRDIMIYEK-OIISXLGYSA-N 2 0 287.451 2.687 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000221748530 278048560 /nfs/dbraw/zinc/04/85/60/278048560.db2.gz HIQONKQDXGLHCH-OFQRWUPVSA-N 2 0 276.424 2.556 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423253681 278050006 /nfs/dbraw/zinc/05/00/06/278050006.db2.gz ZHUIQNZOPZUYKK-XYPHTWIQSA-N 2 0 275.440 2.540 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554180 278051053 /nfs/dbraw/zinc/05/10/53/278051053.db2.gz VTONOQYTBJGWJY-KBPBESRZSA-N 2 0 264.413 2.556 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000134008787 278121633 /nfs/dbraw/zinc/12/16/33/278121633.db2.gz RBQYROISRNPUQL-QWHCGFSZSA-N 2 0 250.411 2.862 20 0 CFADRP CSCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768969 278129239 /nfs/dbraw/zinc/12/92/39/278129239.db2.gz ZTSYXVHOAMAELC-ZBFHGGJFSA-N 2 0 292.448 2.585 20 0 CFADRP C[C@H](CC1CCCCC1)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000348994568 278166130 /nfs/dbraw/zinc/16/61/30/278166130.db2.gz JUUJFWFLEHOIAK-SJLPKXTDSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423435094 278169016 /nfs/dbraw/zinc/16/90/16/278169016.db2.gz ORPSYWUYDGDSSW-ZIAGYGMSSA-N 2 0 291.439 2.557 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CSc2ccccc21 ZINC000422750930 278169127 /nfs/dbraw/zinc/16/91/27/278169127.db2.gz AQJIZJRRIBVCRN-DGCLKSJQSA-N 2 0 250.411 2.941 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000423451791 278169533 /nfs/dbraw/zinc/16/95/33/278169533.db2.gz IZCGRUUTTSAMEC-NEPJUHHUSA-N 2 0 267.392 2.670 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000294530950 278254767 /nfs/dbraw/zinc/25/47/67/278254767.db2.gz CPMOVMKUGZVINT-WMLDXEAASA-N 2 0 289.423 2.598 20 0 CFADRP C[C@H](NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422882647 278257353 /nfs/dbraw/zinc/25/73/53/278257353.db2.gz PIWNVTLNBAXRCA-XWTMOSNGSA-N 2 0 295.515 2.865 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCOC1 ZINC000366632202 278264672 /nfs/dbraw/zinc/26/46/72/278264672.db2.gz HMOAKFDYJYUQSR-YQQAZPJKSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000080510076 278317829 /nfs/dbraw/zinc/31/78/29/278317829.db2.gz OQHNLHCJKZWABD-HIFRSBDPSA-N 2 0 288.435 2.959 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000178200836 278319125 /nfs/dbraw/zinc/31/91/25/278319125.db2.gz FRFXVBYWDDLQLI-ZIAGYGMSSA-N 2 0 289.423 2.909 20 0 CFADRP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423093005 278321570 /nfs/dbraw/zinc/32/15/70/278321570.db2.gz FEUDMAWTXKTLOB-DAXOMENPSA-N 2 0 276.424 2.908 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422887453 278332083 /nfs/dbraw/zinc/33/20/83/278332083.db2.gz YSTRZZCHJFNWJV-IKGGRYGDSA-N 3 0 281.488 2.619 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093452595 278341588 /nfs/dbraw/zinc/34/15/88/278341588.db2.gz SLJRGAYGRQGPIR-IXDOHACOSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cn[nH]c1 ZINC000453062144 278343602 /nfs/dbraw/zinc/34/36/02/278343602.db2.gz QAZXZUVKTZDWQR-UONOGXRCSA-N 2 0 264.417 2.715 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCOCC1 ZINC000353923746 278345636 /nfs/dbraw/zinc/34/56/36/278345636.db2.gz AEMLOWCPJZAORI-OWCLPIDISA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]CCCOc1ccc2ccccc2c1)C1C[NH2+]C1 ZINC000422888707 278345856 /nfs/dbraw/zinc/34/58/56/278345856.db2.gz NNSYQKSXOWQQPY-CQSZACIVSA-N 2 0 284.403 2.806 20 0 CFADRP C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000423096061 278354251 /nfs/dbraw/zinc/35/42/51/278354251.db2.gz NXDLUVVGAGMOEA-NXHRZFHOSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423082751 278354987 /nfs/dbraw/zinc/35/49/87/278354987.db2.gz XIBBTRJAELBQLQ-NRSFXHEJSA-N 2 0 288.435 2.884 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000232909996 278372348 /nfs/dbraw/zinc/37/23/48/278372348.db2.gz JOBUYOYNHDEGDK-CYBMUJFWSA-N 2 0 259.397 2.686 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422885297 288038936 /nfs/dbraw/zinc/03/89/36/288038936.db2.gz UBKUNOYAUHGPQV-IRXDYDNUSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417401160 278469412 /nfs/dbraw/zinc/46/94/12/278469412.db2.gz LCMLIXPMACEOIU-DZUCGIPZSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000334853028 278481537 /nfs/dbraw/zinc/48/15/37/278481537.db2.gz IZOCSLNMKIGUOD-GXTWGEPZSA-N 2 0 277.437 2.534 20 0 CFADRP CC[C@H](NC[C@H](c1ccco1)[NH+](CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422978565 288048697 /nfs/dbraw/zinc/04/86/97/288048697.db2.gz ZPRUXDQEAUBERM-HRCADAONSA-N 2 0 293.455 2.783 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000415039355 278515063 /nfs/dbraw/zinc/51/50/63/278515063.db2.gz NXZVBMWBBYQTTE-ATLSCFEFSA-N 3 0 293.499 2.747 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423202354 278951205 /nfs/dbraw/zinc/95/12/05/278951205.db2.gz AUUFCBSRHPNMKF-QAPCUYQASA-N 2 0 272.436 2.905 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420307587 279016749 /nfs/dbraw/zinc/01/67/49/279016749.db2.gz RMLPZIIQGMBXSU-CABCVRRESA-N 2 0 258.409 2.823 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000294924410 279040597 /nfs/dbraw/zinc/04/05/97/279040597.db2.gz CUVYARONYGYWOC-XJKSGUPXSA-N 2 0 278.465 2.979 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cscn1 ZINC000040420428 279101535 /nfs/dbraw/zinc/10/15/35/279101535.db2.gz RMZJABCXDYAAEL-LBPRGKRZSA-N 2 0 255.431 2.743 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226571753 279101584 /nfs/dbraw/zinc/10/15/84/279101584.db2.gz KJUUCSFPBMRZOT-SOUVJXGZSA-N 2 0 256.434 2.654 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338015474 279109335 /nfs/dbraw/zinc/10/93/35/279109335.db2.gz ULRKNVYSUXNNLE-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CCC[NH2+]C1)CCC2 ZINC000334219751 279117939 /nfs/dbraw/zinc/11/79/39/279117939.db2.gz ZXVZLUULUAIPPC-GXTWGEPZSA-N 2 0 279.453 2.760 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000348308664 279121059 /nfs/dbraw/zinc/12/10/59/279121059.db2.gz FGYLEERCCSDSBI-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422814144 279121351 /nfs/dbraw/zinc/12/13/51/279121351.db2.gz ZSVIFERMCGMOPW-IXDOHACOSA-N 2 0 284.488 2.932 20 0 CFADRP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420300828 279130407 /nfs/dbraw/zinc/13/04/07/279130407.db2.gz KTBBKICSXDKAIE-NEPJUHHUSA-N 2 0 280.362 2.884 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423129120 279162230 /nfs/dbraw/zinc/16/22/30/279162230.db2.gz DRCQNMQIAUPBPM-IKGGRYGDSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCc3cc(F)ccc32)CCC[NH2+]C1 ZINC000423315796 279163231 /nfs/dbraw/zinc/16/32/31/279163231.db2.gz AKVDGEAMCJJXGX-JKSUJKDBSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCC[NH2+]C1 ZINC000423328953 279163368 /nfs/dbraw/zinc/16/33/68/279163368.db2.gz MMEHOGNKSREENT-JKSUJKDBSA-N 2 0 262.372 2.792 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089147201 279165775 /nfs/dbraw/zinc/16/57/75/279165775.db2.gz QXVHTEFZUSGZRH-FGTMMUONSA-N 2 0 289.467 2.787 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000414690637 279179350 /nfs/dbraw/zinc/17/93/50/279179350.db2.gz NEDVMCKGIDXQEX-SQNIBIBYSA-N 2 0 295.515 2.946 20 0 CFADRP CC(C)C[C@H]1C[C@H]([NH2+]C2CCC(C[NH3+])CC2)CCO1 ZINC000423041951 279228667 /nfs/dbraw/zinc/22/86/67/279228667.db2.gz JZAQQZIZBURDJP-FJBKBRRZSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000423044597 279256442 /nfs/dbraw/zinc/25/64/42/279256442.db2.gz BPRQTGIAMFFLBC-VNQPRFMTSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423041661 279256606 /nfs/dbraw/zinc/25/66/06/279256606.db2.gz XPTAOTDJYBVCIR-UHOFOFEASA-N 2 0 280.387 2.763 20 0 CFADRP CC[NH+]1CCC(N(C)C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450464001 279258063 /nfs/dbraw/zinc/25/80/63/279258063.db2.gz UXSYXMMZFXCVHA-KRWDZBQOSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000269053337 279258328 /nfs/dbraw/zinc/25/83/28/279258328.db2.gz WIGLAGKOBJOQOV-HUUCEWRRSA-N 2 0 286.423 2.863 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251196271 279273364 /nfs/dbraw/zinc/27/33/64/279273364.db2.gz KAKGGLASGUKYFG-OIISXLGYSA-N 2 0 288.435 2.930 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)C[NH+](C)C ZINC000425955371 279349565 /nfs/dbraw/zinc/34/95/65/279349565.db2.gz ZESJSOLRSBKHJY-MLGOLLRUSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCc2ccccc21)C[NH+]1CCCC1 ZINC000062077396 279354499 /nfs/dbraw/zinc/35/44/99/279354499.db2.gz WNBMRPIFFOGAKT-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449130894 279362799 /nfs/dbraw/zinc/36/27/99/279362799.db2.gz IPIJUQVTYXVRDO-ZJPYXAASSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000423155194 279366745 /nfs/dbraw/zinc/36/67/45/279366745.db2.gz KQPQBYWGOMOWLE-IXDOHACOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000423155192 279366956 /nfs/dbraw/zinc/36/69/56/279366956.db2.gz KQPQBYWGOMOWLE-IKGGRYGDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422936370 279378169 /nfs/dbraw/zinc/37/81/69/279378169.db2.gz MGBGEZSDEKLFJL-GHMZBOCLSA-N 2 0 286.341 2.834 20 0 CFADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422914662 279384457 /nfs/dbraw/zinc/38/44/57/279384457.db2.gz VJGWVCOYPSDEQY-CABCVRRESA-N 3 0 277.456 2.742 20 0 CFADRP C[C@H](F)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423139907 279390583 /nfs/dbraw/zinc/39/05/83/279390583.db2.gz WVGHVROIXOJKJM-NOLJZWGESA-N 2 0 278.371 2.580 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423139348 279409391 /nfs/dbraw/zinc/40/93/91/279409391.db2.gz ZLGHOHAHOODGKT-RFQIPJPRSA-N 2 0 290.398 2.544 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C ZINC000133077408 279455512 /nfs/dbraw/zinc/45/55/12/279455512.db2.gz KYXUVCPYBPXSSO-UONOGXRCSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000340474332 279466082 /nfs/dbraw/zinc/46/60/82/279466082.db2.gz GQVIZESEPUHZTG-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423267253 279526212 /nfs/dbraw/zinc/52/62/12/279526212.db2.gz CPPHVKUSKSOQND-HCEZTOJASA-N 2 0 296.455 2.606 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Cl)cc1 ZINC000414988612 279620550 /nfs/dbraw/zinc/62/05/50/279620550.db2.gz LEZZBBMOMBTHQT-AVJIGQEQSA-N 2 0 264.800 2.946 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423340200 280033913 /nfs/dbraw/zinc/03/39/13/280033913.db2.gz VLXIKVZJQSFXOU-XJKSGUPXSA-N 2 0 258.409 2.899 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420299175 280043057 /nfs/dbraw/zinc/04/30/57/280043057.db2.gz IEINMUKBKYHPDJ-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP CCS[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000348472395 280051030 /nfs/dbraw/zinc/05/10/30/280051030.db2.gz XMHJLXPFBNXLDR-BFHYXJOUSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000262245554 280122792 /nfs/dbraw/zinc/12/27/92/280122792.db2.gz POIPOUCIOTZFIT-NSHDSACASA-N 2 0 280.362 2.884 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000358040118 280186416 /nfs/dbraw/zinc/18/64/16/280186416.db2.gz BSSGAQXGGBKURD-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423410180 280273081 /nfs/dbraw/zinc/27/30/81/280273081.db2.gz RKLCLUXEPQDCOQ-HUUCEWRRSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420327786 280278490 /nfs/dbraw/zinc/27/84/90/280278490.db2.gz YSTUMMUHVNAQKZ-GDBMZVCRSA-N 2 0 276.424 2.860 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000359299015 280333104 /nfs/dbraw/zinc/33/31/04/280333104.db2.gz ZTDAKBADZJNVRX-IKGGRYGDSA-N 2 0 273.424 2.995 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423366870 280333202 /nfs/dbraw/zinc/33/32/02/280333202.db2.gz CJULXAIVTMSUKP-GUTXKFCHSA-N 2 0 265.376 2.777 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423366878 280334946 /nfs/dbraw/zinc/33/49/46/280334946.db2.gz CJULXAIVTMSUKP-IPYPFGDCSA-N 2 0 265.376 2.777 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348061174 280336684 /nfs/dbraw/zinc/33/66/84/280336684.db2.gz IQQOHKQPUDWAJV-QKPAOTATSA-N 2 0 268.445 2.654 20 0 CFADRP c1cncc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C2CCC2)c1 ZINC000423366024 280501564 /nfs/dbraw/zinc/50/15/64/280501564.db2.gz XBAANXCSGAQJKQ-HZPDHXFCSA-N 2 0 259.397 2.655 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC000357058743 280533048 /nfs/dbraw/zinc/53/30/48/280533048.db2.gz WDOJCZLXGUEKSJ-USXIJHARSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(C)(C)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372112940 288247683 /nfs/dbraw/zinc/24/76/83/288247683.db2.gz LZFZTUZYKQTYJP-ZACQAIPSSA-N 2 0 293.499 2.523 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000348100205 288248477 /nfs/dbraw/zinc/24/84/77/288248477.db2.gz CVNWRKHHVDBECH-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP Cc1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000362670930 280589087 /nfs/dbraw/zinc/58/90/87/280589087.db2.gz XBCAZLXYMDAOEF-ZIAGYGMSSA-N 2 0 267.376 2.541 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000127560699 280665882 /nfs/dbraw/zinc/66/58/82/280665882.db2.gz QIZCILFYOUCYRY-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186600650 280848908 /nfs/dbraw/zinc/84/89/08/280848908.db2.gz BBRIUYWCMWEIPW-YESZJQIVSA-N 2 0 283.504 2.817 20 0 CFADRP CCC1CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186601438 280849216 /nfs/dbraw/zinc/84/92/16/280849216.db2.gz TZGBTMPVXGKNHT-GTPINHCMSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000095967802 280940878 /nfs/dbraw/zinc/94/08/78/280940878.db2.gz XKQGSOSPYOBVMU-DLBZAZTESA-N 2 0 289.467 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246961592 281002004 /nfs/dbraw/zinc/00/20/04/281002004.db2.gz IOXUGYIRQSXNPK-ULQDDVLXSA-N 2 0 295.515 2.817 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cs1 ZINC000246971379 281002129 /nfs/dbraw/zinc/00/21/29/281002129.db2.gz JLUSVTIXKVXDOZ-TZMCWYRMSA-N 2 0 281.469 2.568 20 0 CFADRP COCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000247077600 281004637 /nfs/dbraw/zinc/00/46/37/281004637.db2.gz OQXBRGPFMAOYAF-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000248183251 281018429 /nfs/dbraw/zinc/01/84/29/281018429.db2.gz WWEGAYNYAQINFW-YYIAUSFCSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249195412 281051932 /nfs/dbraw/zinc/05/19/32/281051932.db2.gz QGNBPGVZASHWGZ-CABCVRRESA-N 2 0 290.455 2.948 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250550952 281070115 /nfs/dbraw/zinc/07/01/15/281070115.db2.gz AEIQZKPKCZMFOJ-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP Brc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000259104379 281111426 /nfs/dbraw/zinc/11/14/26/281111426.db2.gz UTJHERPDEWEQOM-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000259225063 281111669 /nfs/dbraw/zinc/11/16/69/281111669.db2.gz XSTHCEGMVDGCDN-NXEZZACHSA-N 2 0 289.242 2.523 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423256451 281117987 /nfs/dbraw/zinc/11/79/87/281117987.db2.gz FBKVBUCUMCIFHP-WMLDXEAASA-N 2 0 258.409 2.962 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H](C)C2 ZINC000423371184 281118067 /nfs/dbraw/zinc/11/80/67/281118067.db2.gz UTOXXYZHOUSGQG-FRFSOERESA-N 2 0 258.409 2.960 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000271179112 281120591 /nfs/dbraw/zinc/12/05/91/281120591.db2.gz JEQQXZKMDSAYLR-AWEZNQCLSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1cnc(C[NH2+]C(C)(C)CCC[NH+](C)C)s1 ZINC000394720137 281195011 /nfs/dbraw/zinc/19/50/11/281195011.db2.gz DMUBVJQWEKQCHS-UHFFFAOYSA-N 2 0 255.431 2.662 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H](C)CC(F)(F)F)CC1 ZINC000396947341 281199194 /nfs/dbraw/zinc/19/91/94/281199194.db2.gz LOXRFWMAQWDDQY-SNVBAGLBSA-N 2 0 252.324 2.649 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000397037237 281200199 /nfs/dbraw/zinc/20/01/99/281200199.db2.gz GJCRSEXJMKUXEB-GARJFASQSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])CC(F)(F)F ZINC000397011035 281200593 /nfs/dbraw/zinc/20/05/93/281200593.db2.gz OJMQORKAAYBVPG-HBNTYKKESA-N 2 0 252.324 2.682 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422929421 281222340 /nfs/dbraw/zinc/22/23/40/281222340.db2.gz PYEUIXINFSUPKP-OWCLPIDISA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422929980 281222451 /nfs/dbraw/zinc/22/24/51/281222451.db2.gz APIJDBPSCDHNNM-AEFFLSMTSA-N 2 0 298.430 2.922 20 0 CFADRP CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000422930495 281222507 /nfs/dbraw/zinc/22/25/07/281222507.db2.gz UQZLAIPPOTYXRB-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000422929719 281222663 /nfs/dbraw/zinc/22/26/63/281222663.db2.gz RFMAVLOJFBZJHH-GHMZBOCLSA-N 2 0 298.814 2.717 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)o1 ZINC000423009596 281223147 /nfs/dbraw/zinc/22/31/47/281223147.db2.gz VWMQYKKXPYBFIR-OSAQELSMSA-N 2 0 250.386 2.639 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424371599 281227555 /nfs/dbraw/zinc/22/75/55/281227555.db2.gz DOOQQIPPKLMRNJ-JKSUJKDBSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000070358649 281239121 /nfs/dbraw/zinc/23/91/21/281239121.db2.gz OBEKNFKHQRWUPW-CABCVRRESA-N 2 0 268.445 2.797 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCCC(F)(F)F ZINC000302251914 281279765 /nfs/dbraw/zinc/27/97/65/281279765.db2.gz AOLWPBWUDRBZBC-SNVBAGLBSA-N 2 0 252.324 2.697 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423069395 281291330 /nfs/dbraw/zinc/29/13/30/281291330.db2.gz LKBAAZAIZFZVOM-APHBMKBZSA-N 2 0 274.408 2.796 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000359116718 281294137 /nfs/dbraw/zinc/29/41/37/281294137.db2.gz QOCFLEYOVPMAET-PVAVHDDUSA-N 2 0 282.472 2.780 20 0 CFADRP OC1(C[NH2+]Cc2ccccc2C[NH+]2CCCC2)CCCC1 ZINC000515637762 281296800 /nfs/dbraw/zinc/29/68/00/281296800.db2.gz VQGYVZAQMQTJCF-UHFFFAOYSA-N 2 0 288.435 2.677 20 0 CFADRP C[NH+](C)CCC[N@H+](C)CCCCOc1ccccc1 ZINC000516348157 281302931 /nfs/dbraw/zinc/30/29/31/281302931.db2.gz OZBQLZJAVWYXTP-UHFFFAOYSA-N 2 0 264.413 2.729 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)[C@H](C)[C@H]1OC ZINC000516450478 281303906 /nfs/dbraw/zinc/30/39/06/281303906.db2.gz UZKFOTFHGGZKPH-UYJHQMFVSA-N 2 0 282.472 2.804 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)CN1CCOCC1 ZINC000527529221 281335062 /nfs/dbraw/zinc/33/50/62/281335062.db2.gz FLLVYQDYGOJKRL-CYBMUJFWSA-N 2 0 298.377 2.682 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000527656293 281337843 /nfs/dbraw/zinc/33/78/43/281337843.db2.gz XPQPEJLOWZWAAT-NEPJUHHUSA-N 2 0 262.388 2.988 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C(C)(C)O1 ZINC000247161136 281359268 /nfs/dbraw/zinc/35/92/68/281359268.db2.gz UEVHEQQMLYPIDI-RDBSUJKOSA-N 2 0 266.429 2.549 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](C2CCCC2)CC1 ZINC000540066242 281580269 /nfs/dbraw/zinc/58/02/69/281580269.db2.gz IJTIYQDXPVFUKE-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000541738696 281610250 /nfs/dbraw/zinc/61/02/50/281610250.db2.gz NHMJEKGKBAHIIE-CVEARBPZSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000554071228 281884653 /nfs/dbraw/zinc/88/46/53/281884653.db2.gz IZIFMUQKHMFUJT-AEFFLSMTSA-N 2 0 290.451 2.948 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC000554722144 281902992 /nfs/dbraw/zinc/90/29/92/281902992.db2.gz IVSYWGLFYAQWDH-RRFJBIMHSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000556938176 281953870 /nfs/dbraw/zinc/95/38/70/281953870.db2.gz AEWNMLYXQIVKCY-GFCCVEGCSA-N 2 0 252.427 2.658 20 0 CFADRP CCn1c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])nc2ccccc21 ZINC000556943003 281954868 /nfs/dbraw/zinc/95/48/68/281954868.db2.gz JEOJYQLBYUTCMF-KBPBESRZSA-N 2 0 286.423 2.663 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559898726 282011453 /nfs/dbraw/zinc/01/14/53/282011453.db2.gz DTTJAHSDYWXQPX-BSWAZPDLSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559898727 282011602 /nfs/dbraw/zinc/01/16/02/282011602.db2.gz DTTJAHSDYWXQPX-HJWJTTGWSA-N 2 0 258.409 2.720 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)C1CCOCC1 ZINC000560038212 282014201 /nfs/dbraw/zinc/01/42/01/282014201.db2.gz GIUSOFWDQLBAKQ-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC(C(C)C)C(C)C)CC1 ZINC000560047784 282014369 /nfs/dbraw/zinc/01/43/69/282014369.db2.gz CSNOWCHJWIQVEF-KRWDZBQOSA-N 2 0 297.531 2.778 20 0 CFADRP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000560518570 282032544 /nfs/dbraw/zinc/03/25/44/282032544.db2.gz DLJOUERGXWFVPB-CVEARBPZSA-N 2 0 250.430 2.885 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2cscn2)CC[NH+](C)CC1 ZINC000562104621 282066511 /nfs/dbraw/zinc/06/65/11/282066511.db2.gz VCAPTEJUEVUYQO-NSHDSACASA-N 2 0 285.482 2.621 20 0 CFADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414759248 289006431 /nfs/dbraw/zinc/00/64/31/289006431.db2.gz DVTNEDPUPQKKPS-DDHJBXDOSA-N 2 0 264.335 2.647 20 0 CFADRP CN(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000422720366 289287603 /nfs/dbraw/zinc/28/76/03/289287603.db2.gz ZHHCYTQTIYZRHN-IMRCBTMISA-N 2 0 293.430 2.536 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000449167456 289304363 /nfs/dbraw/zinc/30/43/63/289304363.db2.gz ALOLUFCMEIECAB-QLFBSQMISA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)[NH+]1CCCCC1 ZINC000449239904 289491547 /nfs/dbraw/zinc/49/15/47/289491547.db2.gz LRRORITZJCUDPZ-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)CC(F)(F)F ZINC000423178225 289693404 /nfs/dbraw/zinc/69/34/04/289693404.db2.gz ICOMYHWGPRYUFV-GARJFASQSA-N 2 0 252.324 2.553 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CCO)CCCC1 ZINC000415085168 289726560 /nfs/dbraw/zinc/72/65/60/289726560.db2.gz QJTDOWYRZKAOKR-CVEARBPZSA-N 2 0 282.472 2.830 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)s1 ZINC000154337558 289892038 /nfs/dbraw/zinc/89/20/38/289892038.db2.gz RWUMMVVSJDPSNJ-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(F)c1 ZINC000154421345 289893991 /nfs/dbraw/zinc/89/39/91/289893991.db2.gz OFTVJLCIEFWCKK-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000154978575 289908246 /nfs/dbraw/zinc/90/82/46/289908246.db2.gz CWJQOBRBCSLNQI-IAGOWNOFSA-N 2 0 289.467 2.590 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000158596682 289977919 /nfs/dbraw/zinc/97/79/19/289977919.db2.gz GLQSDIOPRGGXHB-OAGGEKHMSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000422899281 290005351 /nfs/dbraw/zinc/00/53/51/290005351.db2.gz OEQMBJBYUNMMPH-IAOVAPTHSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000147699120 290005756 /nfs/dbraw/zinc/00/57/56/290005756.db2.gz TXIHIFSSESYTHR-CORIIIEPSA-N 2 0 250.361 2.994 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000305154015 290008266 /nfs/dbraw/zinc/00/82/66/290008266.db2.gz PNDSPXIHCBGZQF-NANBGGJNSA-N 2 0 294.483 2.923 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000314999854 290019313 /nfs/dbraw/zinc/01/93/13/290019313.db2.gz ZUKNMZSCAPFCEK-HOCLYGCPSA-N 2 0 289.423 2.594 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000562442773 290043950 /nfs/dbraw/zinc/04/39/50/290043950.db2.gz AOSOGZMQRHJODO-HZPDHXFCSA-N 2 0 278.440 2.676 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000562652315 290063126 /nfs/dbraw/zinc/06/31/26/290063126.db2.gz VZKMMXXSSHHHKF-FOLVSLTJSA-N 2 0 280.456 2.939 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000562748082 290073487 /nfs/dbraw/zinc/07/34/87/290073487.db2.gz NUZHAVBRTOWOEV-SQNIBIBYSA-N 2 0 287.451 2.587 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000562956147 290085147 /nfs/dbraw/zinc/08/51/47/290085147.db2.gz IZHXWQDUQXZKDV-RHSMWYFYSA-N 2 0 294.414 2.883 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000562956200 290085791 /nfs/dbraw/zinc/08/57/91/290085791.db2.gz JKRYSEIXUMRQLS-OWCLPIDISA-N 2 0 268.445 2.559 20 0 CFADRP CCCc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000563136132 290107569 /nfs/dbraw/zinc/10/75/69/290107569.db2.gz SQNJFURHTWXRON-SJORKVTESA-N 2 0 258.409 2.680 20 0 CFADRP CSc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000563153338 290109665 /nfs/dbraw/zinc/10/96/65/290109665.db2.gz SNYLBKYXOUNIOF-LBPRGKRZSA-N 2 0 250.411 2.579 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]C2(CCO)CCN(C)CC2)C[C@@H]1C ZINC000563415800 290145579 /nfs/dbraw/zinc/14/55/79/290145579.db2.gz FHINHZYNZNNECR-BBWFWOEESA-N 2 0 296.499 2.884 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]C2(CCO)CCN(C)CC2)C[C@H]1C ZINC000563415805 290145797 /nfs/dbraw/zinc/14/57/97/290145797.db2.gz FHINHZYNZNNECR-ZACQAIPSSA-N 2 0 296.499 2.884 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc3[nH]ccc3c2)C1 ZINC000563426670 290150030 /nfs/dbraw/zinc/15/00/30/290150030.db2.gz VTGJMFQWABTGEI-CABCVRRESA-N 2 0 257.381 2.570 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000563442433 290152563 /nfs/dbraw/zinc/15/25/63/290152563.db2.gz ITQCQJZVTSGVHX-GVDBMIGSSA-N 2 0 292.467 2.677 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000563444824 290153015 /nfs/dbraw/zinc/15/30/15/290153015.db2.gz RGQXMMGLKLTHCE-ZIAGYGMSSA-N 2 0 270.461 2.636 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000563452672 290153532 /nfs/dbraw/zinc/15/35/32/290153532.db2.gz YHRSXIIMQPNDNU-CMPLNLGQSA-N 2 0 265.426 2.628 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000563452675 290153935 /nfs/dbraw/zinc/15/39/35/290153935.db2.gz YHRSXIIMQPNDNU-ZYHUDNBSSA-N 2 0 265.426 2.628 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000563528231 290157789 /nfs/dbraw/zinc/15/77/89/290157789.db2.gz NBOOBLZXOTXJIO-NFAWXSAZSA-N 2 0 287.407 2.567 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000563701988 290169463 /nfs/dbraw/zinc/16/94/63/290169463.db2.gz ZMLSWTHXYQMTTA-MPTQWLOMSA-N 2 0 259.397 2.688 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000563804159 290174881 /nfs/dbraw/zinc/17/48/81/290174881.db2.gz SADYKJOTGBQVQK-HNNXBMFYSA-N 2 0 286.423 2.911 20 0 CFADRP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000564086176 290191991 /nfs/dbraw/zinc/19/19/91/290191991.db2.gz VWXLUXGOYDOQEQ-FUHWJXTLSA-N 2 0 288.435 2.702 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cn1 ZINC000564201179 290196163 /nfs/dbraw/zinc/19/61/63/290196163.db2.gz IAHWDCCJPCWWJH-DLBZAZTESA-N 2 0 267.376 2.667 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000564201124 290196189 /nfs/dbraw/zinc/19/61/89/290196189.db2.gz VECPMVGUJDYSSF-HNNXBMFYSA-N 2 0 260.425 2.905 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000564529179 290213364 /nfs/dbraw/zinc/21/33/64/290213364.db2.gz MXSNMWGZUWVCTR-HNNXBMFYSA-N 2 0 272.436 2.723 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000564557240 290215169 /nfs/dbraw/zinc/21/51/69/290215169.db2.gz IZMAZZDSDPZQPX-CYBMUJFWSA-N 2 0 295.402 2.521 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000564821980 290235718 /nfs/dbraw/zinc/23/57/18/290235718.db2.gz BFGJPIGIXVVGFU-CYBMUJFWSA-N 2 0 280.412 2.662 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCC2 ZINC000564823192 290236685 /nfs/dbraw/zinc/23/66/85/290236685.db2.gz UVTPSEKCJVFSDZ-KRWDZBQOSA-N 2 0 274.408 2.662 20 0 CFADRP C[C@H]([C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000564822692 290236745 /nfs/dbraw/zinc/23/67/45/290236745.db2.gz ITQLVWBSLOACGH-KFWWJZLASA-N 2 0 268.470 2.594 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@H]1CCC[NH2+]C1 ZINC000564825492 290237519 /nfs/dbraw/zinc/23/75/19/290237519.db2.gz LPUIHCNPLLCAOV-CABCVRRESA-N 2 0 298.434 2.565 20 0 CFADRP Cc1cnc(CC[NH+]2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000564911359 290248635 /nfs/dbraw/zinc/24/86/35/290248635.db2.gz WVAOWFZYSJSZDC-UHFFFAOYSA-N 2 0 289.467 2.905 20 0 CFADRP C(C[NH+]1CCC(C2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000564988589 290255437 /nfs/dbraw/zinc/25/54/37/290255437.db2.gz CXUULVQZHUSLAB-HNNXBMFYSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@H](c1ccccc1F)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110643922 290265073 /nfs/dbraw/zinc/26/50/73/290265073.db2.gz RCYQTNXTKKWWPZ-NWDGAFQWSA-N 2 0 250.361 2.946 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)cc2F)[C@H](C)C1 ZINC000565081269 290265997 /nfs/dbraw/zinc/26/59/97/290265997.db2.gz MWMKIKRXFGFHFL-CXAGYDPISA-N 2 0 294.414 2.996 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000565539623 290307930 /nfs/dbraw/zinc/30/79/30/290307930.db2.gz XPCJTTPLWWHUMA-INIZCTEOSA-N 2 0 289.423 2.655 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC000565785475 290325791 /nfs/dbraw/zinc/32/57/91/290325791.db2.gz WCEKOEWHLLOJDX-CHWSQXEVSA-N 2 0 297.240 2.851 20 0 CFADRP Cc1cnc(CC[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000566167962 290356047 /nfs/dbraw/zinc/35/60/47/290356047.db2.gz VVEMEYIQXFJELV-UHFFFAOYSA-N 2 0 275.440 2.515 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000566230083 290360455 /nfs/dbraw/zinc/36/04/55/290360455.db2.gz GAWIIYFXHXHINJ-KBPBESRZSA-N 2 0 286.423 2.611 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423120094 292805031 /nfs/dbraw/zinc/80/50/31/292805031.db2.gz GENCEBXPSOLGJN-JHJVBQTASA-N 2 0 296.377 2.699 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336814299 292805178 /nfs/dbraw/zinc/80/51/78/292805178.db2.gz FGSPPDWFBOLNJF-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCC(C)CC2)CC1 ZINC000566424560 290382315 /nfs/dbraw/zinc/38/23/15/290382315.db2.gz YFCRNXWOWXCYNS-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000566481057 290392578 /nfs/dbraw/zinc/39/25/78/290392578.db2.gz FAPCLIADOHOGHM-LSDHHAIUSA-N 2 0 264.388 2.963 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)C1 ZINC000566481798 290393374 /nfs/dbraw/zinc/39/33/74/290393374.db2.gz KDLWEASCTLXENL-YRGRVCCFSA-N 2 0 264.344 2.509 20 0 CFADRP Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c(C[NH+](C)C)c1 ZINC000566483963 290393799 /nfs/dbraw/zinc/39/37/99/290393799.db2.gz YPKXXJLOBBEXKC-CABCVRRESA-N 2 0 261.413 2.738 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH2+]C(C)C)CCC2 ZINC000567639460 290480465 /nfs/dbraw/zinc/48/04/65/290480465.db2.gz PVTYPOYJOBWGGY-LBPRGKRZSA-N 2 0 267.442 2.807 20 0 CFADRP COc1cccc(C2([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000568415029 290553470 /nfs/dbraw/zinc/55/34/70/290553470.db2.gz DFHBCNLPMBNAPP-UONOGXRCSA-N 2 0 260.381 2.544 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000191978073 292984226 /nfs/dbraw/zinc/98/42/26/292984226.db2.gz ZJOABRDQKWNTTB-OAHLLOKOSA-N 2 0 277.412 2.549 20 0 CFADRP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000361968029 293093030 /nfs/dbraw/zinc/09/30/30/293093030.db2.gz YIZCUCXWGFNYAZ-ILXRZTDVSA-N 2 0 256.434 2.510 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000423152451 293096625 /nfs/dbraw/zinc/09/66/25/293096625.db2.gz FCPAJFVHCMMRMT-FGTMMUONSA-N 2 0 290.451 2.914 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000423408347 293295206 /nfs/dbraw/zinc/29/52/06/293295206.db2.gz ADLIFXLAWPEZKM-LVQVYYBASA-N 2 0 268.445 2.559 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423358159 295035800 /nfs/dbraw/zinc/03/58/00/295035800.db2.gz BGBVDELESDNYAA-HUBLWGQQSA-N 2 0 278.371 2.681 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422946587 295101717 /nfs/dbraw/zinc/10/17/17/295101717.db2.gz PDBDOFLFRGIDRO-WMLDXEAASA-N 2 0 290.451 2.951 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422776379 295105534 /nfs/dbraw/zinc/10/55/34/295105534.db2.gz AKAXCWKFRGRUKU-HOTGVXAUSA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000070169694 295240480 /nfs/dbraw/zinc/24/04/80/295240480.db2.gz KROAWQSHVCHMEZ-GFCCVEGCSA-N 2 0 252.789 2.901 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000422819894 295248366 /nfs/dbraw/zinc/24/83/66/295248366.db2.gz JGCNRDVRESMBGR-YJBOKZPZSA-N 2 0 293.499 2.891 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293788398 295250482 /nfs/dbraw/zinc/25/04/82/295250482.db2.gz UHUDLFMWWOOBPU-DTTOXWODSA-N 2 0 290.451 2.975 20 0 CFADRP COc1cccc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261734908 295316013 /nfs/dbraw/zinc/31/60/13/295316013.db2.gz HTSBFYRGSSGVMO-DLBZAZTESA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000422757669 295333061 /nfs/dbraw/zinc/33/30/61/295333061.db2.gz IAGYGLZUKZKCQF-LSDHHAIUSA-N 2 0 250.361 2.618 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261595278 295359933 /nfs/dbraw/zinc/35/99/33/295359933.db2.gz DORRTRKEYIDMSH-BRWVUGGUSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)[C@H](C)O1 ZINC000423499096 297444462 /nfs/dbraw/zinc/44/44/62/297444462.db2.gz ALYJZFGQRSOZHH-VRKREXBASA-N 2 0 262.397 2.622 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775090 298362961 /nfs/dbraw/zinc/36/29/61/298362961.db2.gz GDVCODALNUKGGF-BPQIPLTHSA-N 2 0 294.483 2.761 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423537652 298379406 /nfs/dbraw/zinc/37/94/06/298379406.db2.gz DLMZFCQROUVLDX-NOOOWODRSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414944169 298385153 /nfs/dbraw/zinc/38/51/53/298385153.db2.gz PBSFVNCDODOERK-AXFHLTTASA-N 2 0 252.324 2.695 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423030229 298393068 /nfs/dbraw/zinc/39/30/68/298393068.db2.gz VSKVAPAESYDYMK-RDBSUJKOSA-N 2 0 256.434 2.687 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CC[NH3+])c2ccccc12 ZINC000414878336 533695095 /nfs/dbraw/zinc/69/50/95/533695095.db2.gz HDJBPCUXAIJQNV-GFCCVEGCSA-N 2 0 258.365 2.675 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC000423181954 302102457 /nfs/dbraw/zinc/10/24/57/302102457.db2.gz KAACVCFGYMOUKJ-KRWDZBQOSA-N 2 0 258.409 2.658 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000423408964 302102957 /nfs/dbraw/zinc/10/29/57/302102957.db2.gz YFRUNTXPNXIKRG-QGTPRVQTSA-N 2 0 272.436 2.904 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000268954180 302312161 /nfs/dbraw/zinc/31/21/61/302312161.db2.gz VWSUZPQIEPOCPJ-LSDHHAIUSA-N 2 0 296.480 2.944 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000187778694 302718212 /nfs/dbraw/zinc/71/82/12/302718212.db2.gz APTSTJLTUKDLMO-HNNXBMFYSA-N 2 0 290.455 2.948 20 0 CFADRP Fc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000336409660 303130686 /nfs/dbraw/zinc/13/06/86/303130686.db2.gz IBUUHUZBHVRHOQ-CJNGLKHVSA-N 2 0 262.372 2.962 20 0 CFADRP Fc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000336409659 303130917 /nfs/dbraw/zinc/13/09/17/303130917.db2.gz IBUUHUZBHVRHOQ-BBRMVZONSA-N 2 0 262.372 2.962 20 0 CFADRP Fc1cncc([C@H]([NH2+]CCC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423542808 303137673 /nfs/dbraw/zinc/13/76/73/303137673.db2.gz UHKCXTXMZVGHMF-MRXNPFEDSA-N 2 0 275.371 2.571 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000423146022 303409135 /nfs/dbraw/zinc/40/91/35/303409135.db2.gz NNUQNKPAYVZEFP-XZJROXQQSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000333244909 303465505 /nfs/dbraw/zinc/46/55/05/303465505.db2.gz FOFVFAVCKKWPNC-OWCLPIDISA-N 2 0 259.397 2.782 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000423368272 303465841 /nfs/dbraw/zinc/46/58/41/303465841.db2.gz DGYBKBMUFODHSO-IPYPFGDCSA-N 2 0 278.371 2.899 20 0 CFADRP O[C@@H](C[NH2+][C@@H](C1CCC1)C1CCCCC1)C[NH+]1CCCC1 ZINC000424270484 304833788 /nfs/dbraw/zinc/83/37/88/304833788.db2.gz QOMGASMHXJNUPF-ZWKOTPCHSA-N 2 0 294.483 2.782 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335511791 304857965 /nfs/dbraw/zinc/85/79/65/304857965.db2.gz ACFKTQDARWWNCL-BBRMVZONSA-N 2 0 259.397 2.523 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Cl ZINC000414914320 533699476 /nfs/dbraw/zinc/69/94/76/533699476.db2.gz KLRNAYHIUIFQAX-LBPRGKRZSA-N 2 0 268.788 2.580 20 0 CFADRP C[C@H](CN[C@@H](C)c1cscn1)C[NH+]1CCCCC1 ZINC000162373319 322363486 /nfs/dbraw/zinc/36/34/86/322363486.db2.gz OUMYWMWRUVQZMX-OLZOCXBDSA-N 2 0 267.442 2.916 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1cccs1 ZINC000169187918 322390360 /nfs/dbraw/zinc/39/03/60/322390360.db2.gz SFUNKPAPTNGKFO-STQMWFEESA-N 2 0 266.454 2.956 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000570162045 322517007 /nfs/dbraw/zinc/51/70/07/322517007.db2.gz DUQKIPLPCROVDC-HTQZYQBOSA-N 2 0 266.332 2.982 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000570708605 322547051 /nfs/dbraw/zinc/54/70/51/322547051.db2.gz FUEJNZQBNFZDSX-DOMZBBRYSA-N 2 0 258.365 2.911 20 0 CFADRP c1ccc2c(C[NH+]3CCC4(CC[NH2+]C4)CC3)ccnc2c1 ZINC000571165112 322572886 /nfs/dbraw/zinc/57/28/86/322572886.db2.gz RLPJXNAZOUALAX-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000571226078 322576169 /nfs/dbraw/zinc/57/61/69/322576169.db2.gz IESWQCOUXFXNCM-QXSJWSMHSA-N 2 0 268.445 2.830 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571344629 322580071 /nfs/dbraw/zinc/58/00/71/322580071.db2.gz VLVDLMIWANPXCH-LSDHHAIUSA-N 2 0 286.423 2.594 20 0 CFADRP CCc1[nH+]c2ccccc2c(N2CC([NH+](C)C)C2)c1C ZINC000571550124 322587392 /nfs/dbraw/zinc/58/73/92/322587392.db2.gz WXIRHAVQLZWCPN-UHFFFAOYSA-N 2 0 269.392 2.856 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)C1 ZINC000572855780 322634865 /nfs/dbraw/zinc/63/48/65/322634865.db2.gz LWUQAKMTNDJECQ-SJORKVTESA-N 2 0 287.451 2.763 20 0 CFADRP CN(CCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000572900128 322636444 /nfs/dbraw/zinc/63/64/44/322636444.db2.gz WNDZTEWGQPBDPT-JKSUJKDBSA-N 2 0 275.440 2.763 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000573594013 322662134 /nfs/dbraw/zinc/66/21/34/322662134.db2.gz FOEVFTXQPHISED-MRXNPFEDSA-N 2 0 272.392 2.582 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573815583 322670292 /nfs/dbraw/zinc/67/02/92/322670292.db2.gz SJPBNMPWSDQMPA-YVSFHVDLSA-N 3 0 281.488 2.747 20 0 CFADRP Cn1ccnc1[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000575243565 322723250 /nfs/dbraw/zinc/72/32/50/322723250.db2.gz MADDSOTVRUJKKD-PREGVCBESA-N 2 0 298.434 2.617 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)C1(CC)CC ZINC000181700335 323821980 /nfs/dbraw/zinc/82/19/80/323821980.db2.gz BFEBWZSSLMYSFK-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191523098 324050901 /nfs/dbraw/zinc/05/09/01/324050901.db2.gz XMVKDKVWQSUEKO-WQGACYEGSA-N 2 0 282.378 2.826 20 0 CFADRP C[C@H]1CC[C@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211985052 324110171 /nfs/dbraw/zinc/11/01/71/324110171.db2.gz POFWYNDPXVKDKK-KBPBESRZSA-N 2 0 258.409 2.953 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381951818 324424272 /nfs/dbraw/zinc/42/42/72/324424272.db2.gz SHRRAYMPMPPCQI-NVDSNGLKSA-N 2 0 268.445 2.545 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000387689170 324496788 /nfs/dbraw/zinc/49/67/88/324496788.db2.gz UVRWHFBNGJGVHU-ZWKOTPCHSA-N 2 0 295.515 2.817 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000576814704 324662050 /nfs/dbraw/zinc/66/20/50/324662050.db2.gz OSQFCZGRGXTBTA-HOTGVXAUSA-N 2 0 271.408 2.818 20 0 CFADRP CCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000576957087 324681131 /nfs/dbraw/zinc/68/11/31/324681131.db2.gz IDNUXUOODNHUAA-GJZGRUSLSA-N 2 0 262.397 2.753 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578668383 324877392 /nfs/dbraw/zinc/87/73/92/324877392.db2.gz AHIGKPDOYLEICW-ZBFHGGJFSA-N 2 0 279.472 2.643 20 0 CFADRP C/C(=C\c1ccccc1)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000578801977 324890747 /nfs/dbraw/zinc/89/07/47/324890747.db2.gz FZDTWTKMLKHFHK-BMRADRMJSA-N 2 0 289.467 2.515 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccccc1 ZINC000578857698 324895232 /nfs/dbraw/zinc/89/52/32/324895232.db2.gz RPQZGFHUOFWYAI-GDBMZVCRSA-N 2 0 286.423 2.617 20 0 CFADRP CCCNc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000580329059 325026637 /nfs/dbraw/zinc/02/66/37/325026637.db2.gz JOKJYJWIFSVNSS-HOCLYGCPSA-N 2 0 261.413 2.868 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc3c(n2)CCC3)[C@@H](C)C1 ZINC000580412102 325032819 /nfs/dbraw/zinc/03/28/19/325032819.db2.gz VDGLTVFMGRQZAV-KBXCAEBGSA-N 2 0 287.451 2.732 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000580620199 325050876 /nfs/dbraw/zinc/05/08/76/325050876.db2.gz WVVZPSVAKTUFPK-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@](O)(C[NH2+]CCCCC[NH+]1CCCCC1)C(F)(F)F ZINC000580642467 325052332 /nfs/dbraw/zinc/05/23/32/325052332.db2.gz XMVLLGQKPYZNBG-ZDUSSCGKSA-N 2 0 296.377 2.546 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000580724637 325059531 /nfs/dbraw/zinc/05/95/31/325059531.db2.gz FKNVCVWOFLWPTM-YUTCNCBUSA-N 2 0 250.386 2.769 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000581011835 325082505 /nfs/dbraw/zinc/08/25/05/325082505.db2.gz KVCUAJYIJNUXRR-KLHDSHLOSA-N 2 0 250.430 2.744 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCN(C)c2ccccc2)C1 ZINC000581128628 325092970 /nfs/dbraw/zinc/09/29/70/325092970.db2.gz YIPKHVYWXYHBOZ-QGZVFWFLSA-N 2 0 289.467 2.787 20 0 CFADRP CO[C@@H](C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581194896 325099275 /nfs/dbraw/zinc/09/92/75/325099275.db2.gz JHFOPFXGXVWBIR-DZGCQCFKSA-N 2 0 296.480 2.845 20 0 CFADRP c1c[nH]c([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CCCCC2)n1 ZINC000582354554 325197598 /nfs/dbraw/zinc/19/75/98/325197598.db2.gz BZGMKAVVMSMJPP-OAHLLOKOSA-N 2 0 274.412 2.540 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2c(s1)CCCC2 ZINC000582414371 325202977 /nfs/dbraw/zinc/20/29/77/325202977.db2.gz CILFUYFNXHKFAK-MNOVXSKESA-N 2 0 252.427 2.842 20 0 CFADRP CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582693378 325226247 /nfs/dbraw/zinc/22/62/47/325226247.db2.gz XYBKKJBYWNUUEN-LEUOFYLZSA-N 2 0 288.435 2.664 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000582915923 325246035 /nfs/dbraw/zinc/24/60/35/325246035.db2.gz JCXUEUGPFDQCJV-ZLZJIPBDSA-N 3 0 293.499 2.889 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[C@H]1[NH3+])CC3 ZINC000582958626 325247927 /nfs/dbraw/zinc/24/79/27/325247927.db2.gz JLKLZHOPULHOIJ-DWQUBVKVSA-N 2 0 283.419 2.803 20 0 CFADRP CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000582952059 325248026 /nfs/dbraw/zinc/24/80/26/325248026.db2.gz IKDUWWHPLWCOFL-RYUDHWBXSA-N 2 0 252.427 2.788 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000583024604 325253381 /nfs/dbraw/zinc/25/33/81/325253381.db2.gz DTCYWRGRVNFEBD-OLZOCXBDSA-N 2 0 272.396 2.601 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(s1)CCCC2 ZINC000583137910 325262806 /nfs/dbraw/zinc/26/28/06/325262806.db2.gz RBDXHTZNKKKNBJ-OCCSQVGLSA-N 2 0 264.438 2.844 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000583415756 325285178 /nfs/dbraw/zinc/28/51/78/325285178.db2.gz HAABKTUIKIUNFA-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCC1 ZINC000583435083 325286943 /nfs/dbraw/zinc/28/69/43/325286943.db2.gz IZJMFOVXAWKCEH-HIFRSBDPSA-N 2 0 259.397 2.579 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583564665 325296398 /nfs/dbraw/zinc/29/63/98/325296398.db2.gz ADQJJDURJISDFU-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP CC1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC[NH2+]CC1 ZINC000584160258 325334702 /nfs/dbraw/zinc/33/47/02/325334702.db2.gz UYQYYYNLYVEQED-UHFFFAOYSA-N 2 0 290.436 2.618 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CCN1Cc1cnc(-c2ccncc2)s1 ZINC000584180262 325335996 /nfs/dbraw/zinc/33/59/96/325335996.db2.gz HWULPJURAWIJIT-DGCLKSJQSA-N 2 0 288.420 2.517 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC[NH2+]C(C)C)C1(C)C ZINC000584225987 325338765 /nfs/dbraw/zinc/33/87/65/325338765.db2.gz VTUUVBUTNVQKHY-CABCVRRESA-N 2 0 270.461 2.804 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246925999 500622278 /nfs/dbraw/zinc/62/22/78/500622278.db2.gz GSFQVCWTEJDWRP-RBSFLKMASA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000488434923 500907116 /nfs/dbraw/zinc/90/71/16/500907116.db2.gz UIIYXRUPDJPDCU-BXUZGUMPSA-N 2 0 250.361 2.633 20 0 CFADRP CCCc1csc(C[NH+]2CCC(CC[NH2+]C)CC2)n1 ZINC000261924007 521454666 /nfs/dbraw/zinc/45/46/66/521454666.db2.gz KTTUDSWXKCCMHN-UHFFFAOYSA-N 2 0 281.469 2.917 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1Cl ZINC000423140163 533768200 /nfs/dbraw/zinc/76/82/00/533768200.db2.gz XOUPODCZMJUTPX-UKRRQHHQSA-N 2 0 296.842 2.998 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423317025 533775018 /nfs/dbraw/zinc/77/50/18/533775018.db2.gz BDMXOXLXGJZCQA-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422711116 533777967 /nfs/dbraw/zinc/77/79/67/533777967.db2.gz MXDQTYPXZQPPCQ-KCQAQPDRSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422725360 533784377 /nfs/dbraw/zinc/78/43/77/533784377.db2.gz BEHBRKGQXNMEEC-CWRNSKLLSA-N 2 0 275.440 2.585 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CC[C@H]2CC[NH2+]C2)cc1F ZINC000414837072 533786806 /nfs/dbraw/zinc/78/68/06/533786806.db2.gz UBZBDVXMPWXEAL-KBPBESRZSA-N 2 0 294.414 2.602 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000414901275 533787340 /nfs/dbraw/zinc/78/73/40/533787340.db2.gz FXOVDANZQUBOBC-DZGCQCFKSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422767452 533792315 /nfs/dbraw/zinc/79/23/15/533792315.db2.gz SCVKWYOCKHHQNU-RYTJFDOTSA-N 3 0 295.515 2.850 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)nc1 ZINC000423161244 533805831 /nfs/dbraw/zinc/80/58/31/533805831.db2.gz ILQOIPZQLBHUTP-RDJZCZTQSA-N 2 0 275.440 2.833 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCO1 ZINC000423034688 533837223 /nfs/dbraw/zinc/83/72/23/533837223.db2.gz QHNNZOQTJVZTJQ-NQNKBUKLSA-N 2 0 280.456 2.702 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422865218 533837254 /nfs/dbraw/zinc/83/72/54/533837254.db2.gz OMFLMBBXBSXJII-IAQYHMDHSA-N 2 0 282.428 2.906 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCCCC1 ZINC000177298502 533838744 /nfs/dbraw/zinc/83/87/44/533838744.db2.gz PXRSVNLVOVVWMH-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000422961783 533842893 /nfs/dbraw/zinc/84/28/93/533842893.db2.gz ZZEFJGOKDBWNCD-GFCCVEGCSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422964666 533846772 /nfs/dbraw/zinc/84/67/72/533846772.db2.gz MIMAOVWPINPSJJ-HZPDHXFCSA-N 2 0 293.455 2.914 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000415020872 533850559 /nfs/dbraw/zinc/85/05/59/533850559.db2.gz XZAJWMYZEATRAD-ZIAGYGMSSA-N 2 0 288.439 2.991 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnc2ccccc2c1 ZINC000415016087 533848498 /nfs/dbraw/zinc/84/84/98/533848498.db2.gz PDNCDPZTJKUUCM-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cnccc1C(C)(C)C ZINC000423169025 533848719 /nfs/dbraw/zinc/84/87/19/533848719.db2.gz IOVSRUFKRPTEAY-CYBMUJFWSA-N 2 0 263.429 2.986 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422897897 533848947 /nfs/dbraw/zinc/84/89/47/533848947.db2.gz KNLJKQSXFNBNAG-OAHLLOKOSA-N 2 0 290.455 2.679 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000423047981 533848996 /nfs/dbraw/zinc/84/89/96/533848996.db2.gz HZCDYEONLUPHCM-CQSZACIVSA-N 2 0 284.407 2.751 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000420390688 533865805 /nfs/dbraw/zinc/86/58/05/533865805.db2.gz ADMMNSOKWWTSTI-JKSUJKDBSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccc(F)cc1Cl ZINC000422952712 533867433 /nfs/dbraw/zinc/86/74/33/533867433.db2.gz CAQWYXCBBIUEIL-SNVBAGLBSA-N 2 0 258.768 2.739 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422755907 533870087 /nfs/dbraw/zinc/87/00/87/533870087.db2.gz CAIYJYMOBSTBNJ-CQSZACIVSA-N 2 0 269.392 2.966 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423093544 533875719 /nfs/dbraw/zinc/87/57/19/533875719.db2.gz HYAJIBYLEXIFQI-UXIGCNINSA-N 2 0 250.361 2.789 20 0 CFADRP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)s1 ZINC000414702877 533876383 /nfs/dbraw/zinc/87/63/83/533876383.db2.gz VLCGBQTXKAPXCA-AAEUAGOBSA-N 2 0 252.427 2.876 20 0 CFADRP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1SC ZINC000414831747 533877981 /nfs/dbraw/zinc/87/79/81/533877981.db2.gz NSKRDEYVSDZRGH-GFCCVEGCSA-N 2 0 280.437 2.506 20 0 CFADRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1SC ZINC000414897055 533882302 /nfs/dbraw/zinc/88/23/02/533882302.db2.gz DABMOIRPTYFRLN-INIZCTEOSA-N 2 0 294.464 2.896 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422905162 533883355 /nfs/dbraw/zinc/88/33/55/533883355.db2.gz RLMYBLSYAPDALF-DKIMLUQUSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422794571 533917959 /nfs/dbraw/zinc/91/79/59/533917959.db2.gz ZBQPYJNXACJHIN-MAUKXSAKSA-N 2 0 287.451 2.513 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(COc2ccccc2)c1)C1C[NH2+]C1 ZINC000422729190 533927737 /nfs/dbraw/zinc/92/77/37/533927737.db2.gz HMLGJDUECPWHKG-HNNXBMFYSA-N 2 0 296.414 2.963 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422854657 533943170 /nfs/dbraw/zinc/94/31/70/533943170.db2.gz ULVSORMKDLAKIV-YQFWSFKMSA-N 2 0 276.424 2.522 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423013526 533949642 /nfs/dbraw/zinc/94/96/42/533949642.db2.gz FZFZWNNRMPMCKP-QBPKDAKJSA-N 2 0 294.483 2.686 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823109 533958341 /nfs/dbraw/zinc/95/83/41/533958341.db2.gz AYNOOWTURDKXBG-CSVGXABCSA-N 2 0 274.408 2.686 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000422713495 533981684 /nfs/dbraw/zinc/98/16/84/533981684.db2.gz PVRGXTNHKNJQFY-RKTXRCNFSA-N 2 0 258.409 2.910 20 0 CFADRP COc1ccccc1C(C)(C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702670 533982099 /nfs/dbraw/zinc/98/20/99/533982099.db2.gz IGNKRWHJYMXZNM-KBPBESRZSA-N 2 0 276.424 2.908 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000425362612 533989410 /nfs/dbraw/zinc/98/94/10/533989410.db2.gz VKGINFREYVJXHX-JKSUJKDBSA-N 2 0 294.464 2.611 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425970856 533990791 /nfs/dbraw/zinc/99/07/91/533990791.db2.gz KDEYKJSIJNBRCO-NXHRZFHOSA-N 2 0 272.436 2.749 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422773315 534002892 /nfs/dbraw/zinc/00/28/92/534002892.db2.gz YFSXUORXTVVQOS-QRTARXTBSA-N 2 0 258.409 2.595 20 0 CFADRP COc1ccccc1CC(C)(C)[NH2+]C[C@H]([NH3+])CC(C)C ZINC000414704866 534018795 /nfs/dbraw/zinc/01/87/95/534018795.db2.gz JXOSDLINLOPQGB-OAHLLOKOSA-N 2 0 278.440 2.979 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH2+]CC1)Cc1cccs1 ZINC000415080243 534057244 /nfs/dbraw/zinc/05/72/44/534057244.db2.gz JBCUNIRLMBRVOW-GFCCVEGCSA-N 2 0 252.427 2.516 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422957390 534070741 /nfs/dbraw/zinc/07/07/41/534070741.db2.gz TVJBAEBZQDIYOR-IAQYHMDHSA-N 2 0 284.806 2.999 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746213 534074563 /nfs/dbraw/zinc/07/45/63/534074563.db2.gz WEGKUODUEFUIQF-CHWSQXEVSA-N 2 0 295.496 2.961 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422771076 534074786 /nfs/dbraw/zinc/07/47/86/534074786.db2.gz XOSIFGJXAGDPRW-BXUZGUMPSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCc2ccc(F)cc2)CC[NH2+]1 ZINC000414714199 534077677 /nfs/dbraw/zinc/07/76/77/534077677.db2.gz WKVNYRSEBCMZOD-ZFWWWQNUSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000414682737 534077744 /nfs/dbraw/zinc/07/77/44/534077744.db2.gz RVDDYMHEFKBMHS-RYUDHWBXSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414715465 534086159 /nfs/dbraw/zinc/08/61/59/534086159.db2.gz WXJNXHGGQIPWKN-STQMWFEESA-N 2 0 262.372 2.793 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000422825869 534108865 /nfs/dbraw/zinc/10/88/65/534108865.db2.gz QCVVATXFZLPCTA-GOEBONIOSA-N 2 0 278.440 2.979 20 0 CFADRP COc1ccccc1C[C@H]([NH2+][C@@H](C)CCC[NH3+])C(C)C ZINC000422825871 534122975 /nfs/dbraw/zinc/12/29/75/534122975.db2.gz QCVVATXFZLPCTA-HOCLYGCPSA-N 2 0 278.440 2.979 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422873952 534147532 /nfs/dbraw/zinc/14/75/32/534147532.db2.gz MRECJAWGYKZHFF-AEGPPILISA-N 2 0 294.464 2.559 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423027774 534165700 /nfs/dbraw/zinc/16/57/00/534165700.db2.gz PSIKDHVJUKTGFB-XJKSGUPXSA-N 2 0 261.413 2.609 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414825365 534173557 /nfs/dbraw/zinc/17/35/57/534173557.db2.gz SKENYLZBVIYQQP-ZDUSSCGKSA-N 2 0 295.858 2.631 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414824602 534175119 /nfs/dbraw/zinc/17/51/19/534175119.db2.gz QYWPPNYGENQERN-ZDUSSCGKSA-N 2 0 295.858 2.631 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000422869818 534175950 /nfs/dbraw/zinc/17/59/50/534175950.db2.gz YDEOEEBCISEXNJ-GMXVVIOVSA-N 2 0 250.411 2.939 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1cccs1 ZINC000422760833 534180794 /nfs/dbraw/zinc/18/07/94/534180794.db2.gz QLAJKKZYKVPUMV-XJKSGUPXSA-N 2 0 274.433 2.839 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)C(C)(C)C ZINC000459409303 535924032 /nfs/dbraw/zinc/92/40/32/535924032.db2.gz GVHIRWJPHKZPFO-MRXNPFEDSA-N 2 0 281.488 2.569 20 0 CFADRP CSc1ccc(CC[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423095466 534200695 /nfs/dbraw/zinc/20/06/95/534200695.db2.gz MLHFWCKLTUGATE-LBPRGKRZSA-N 2 0 252.427 2.668 20 0 CFADRP COc1ccccc1O[C@@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422786227 534207831 /nfs/dbraw/zinc/20/78/31/534207831.db2.gz KLIBOGOMLMADJN-NFOMZHRRSA-N 2 0 292.423 2.570 20 0 CFADRP Cc1ccc(-c2nc(CC[NH2+][C@H](C)CCC[NH3+])co2)cc1 ZINC000422881948 534213015 /nfs/dbraw/zinc/21/30/15/534213015.db2.gz RIGIVHQJPQCDCY-CQSZACIVSA-N 2 0 287.407 2.910 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+][C@H](C)CC[NH3+])s2)cc1 ZINC000414890713 534217263 /nfs/dbraw/zinc/21/72/63/534217263.db2.gz VBDSFEJWTAVFGT-GFCCVEGCSA-N 2 0 275.421 2.945 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]CC[C@@H](C)[NH3+])s2)o1 ZINC000414818766 534217685 /nfs/dbraw/zinc/21/76/85/534217685.db2.gz FVTLNPAEAIVODH-SECBINFHSA-N 2 0 265.382 2.538 20 0 CFADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH3+])CCC1 ZINC000414884891 534230597 /nfs/dbraw/zinc/23/05/97/534230597.db2.gz WNCAMNPJXXKZQG-NSHDSACASA-N 2 0 297.240 2.851 20 0 CFADRP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000334881771 518210614 /nfs/dbraw/zinc/21/06/14/518210614.db2.gz KSZIWEHLDVXSEF-PBWFPOADSA-N 2 0 295.224 2.822 20 0 CFADRP Brc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000163445031 518219702 /nfs/dbraw/zinc/21/97/02/518219702.db2.gz HDMVVURZWFBTPG-UHFFFAOYSA-N 2 0 283.213 2.681 20 0 CFADRP C(C[NH2+][C@@H]1CCCC12CCOCC2)C[NH+]1CCCCC1 ZINC000312358165 518392248 /nfs/dbraw/zinc/39/22/48/518392248.db2.gz GNUORBFJIODIGC-MRXNPFEDSA-N 2 0 280.456 2.801 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)C[NH3+])CC3 ZINC000414870225 534369765 /nfs/dbraw/zinc/36/97/65/534369765.db2.gz BRPKKGPGSXLOKC-CHWSQXEVSA-N 2 0 271.408 2.518 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423112879 534378142 /nfs/dbraw/zinc/37/81/42/534378142.db2.gz SPCZJDJAGSZDDP-IJLUTSLNSA-N 2 0 276.346 2.839 20 0 CFADRP FC(F)(F)Oc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414833209 534406585 /nfs/dbraw/zinc/40/65/85/534406585.db2.gz RFWURKLOXPSMJU-GFCCVEGCSA-N 2 0 288.313 2.674 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(-c2sccc2C[NH+](C)C)n1 ZINC000339394364 519230844 /nfs/dbraw/zinc/23/08/44/519230844.db2.gz ISSDZJAUNAZHLU-LLVKDONJSA-N 2 0 294.424 2.906 20 0 CFADRP CC(C)C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000157286963 519353388 /nfs/dbraw/zinc/35/33/88/519353388.db2.gz KAHYWBBZKBVBGH-COXVUDFISA-N 2 0 275.440 2.697 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])CCC2 ZINC000423128294 534439003 /nfs/dbraw/zinc/43/90/03/534439003.db2.gz QAZIJBBFBDVXDI-HNONPPJISA-N 2 0 288.435 2.714 20 0 CFADRP CC(C)CCC[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000364847459 519637765 /nfs/dbraw/zinc/63/77/65/519637765.db2.gz NOVCJVNRBUPBJK-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000163576739 519653490 /nfs/dbraw/zinc/65/34/90/519653490.db2.gz IIHOZJJUYDQXRN-WMZOPIPTSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000192732363 519681271 /nfs/dbraw/zinc/68/12/71/519681271.db2.gz ZDBVDPWVOYOFKT-SFHVURJKSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2CCCCC2)CC1 ZINC000191406722 519681391 /nfs/dbraw/zinc/68/13/91/519681391.db2.gz HJKTYUIPCANMLL-UHFFFAOYSA-N 2 0 281.488 2.667 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000312163704 519772078 /nfs/dbraw/zinc/77/20/78/519772078.db2.gz WSGAZQHIEGIYCY-IAGOWNOFSA-N 2 0 283.504 2.530 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000079978534 519816047 /nfs/dbraw/zinc/81/60/47/519816047.db2.gz UMLJZNDVJJLMEX-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCCC1CCOCC1 ZINC000311829820 519817719 /nfs/dbraw/zinc/81/77/19/519817719.db2.gz LLFCUABITYBFTJ-MRXNPFEDSA-N 2 0 270.461 2.889 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccncc2F)CC1 ZINC000340230908 519843222 /nfs/dbraw/zinc/84/32/22/519843222.db2.gz KYPDFBHIYCUULN-CYBMUJFWSA-N 2 0 279.403 2.993 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000070347255 519847322 /nfs/dbraw/zinc/84/73/22/519847322.db2.gz YNBCPVFIXIAGBA-JKSUJKDBSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])CCC2 ZINC000423133287 534452820 /nfs/dbraw/zinc/45/28/20/534452820.db2.gz QAZIJBBFBDVXDI-BNEJOLLZSA-N 2 0 288.435 2.714 20 0 CFADRP CCCC1CCC([NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000232897913 519898721 /nfs/dbraw/zinc/89/87/21/519898721.db2.gz SHGUCZRSJITPKH-NRXISQOPSA-N 2 0 256.434 2.689 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000414847823 534465101 /nfs/dbraw/zinc/46/51/01/534465101.db2.gz JTMRUECIAYLOLL-CYBMUJFWSA-N 2 0 287.382 2.853 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000414828052 534465245 /nfs/dbraw/zinc/46/52/45/534465245.db2.gz IHIQKWGHULNFMT-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP Cc1ccc2cc(C[NH+]3CCC(C[NH3+])CC3)ccc2n1 ZINC000097862604 534466595 /nfs/dbraw/zinc/46/65/95/534466595.db2.gz VGINGEJRPFIEEM-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309807065 520139912 /nfs/dbraw/zinc/13/99/12/520139912.db2.gz UWOUPPASAMUJFK-LZLYRXPVSA-N 2 0 290.451 2.912 20 0 CFADRP CCOC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000300571134 520149399 /nfs/dbraw/zinc/14/93/99/520149399.db2.gz PNOVKWIWZDUYQD-XHSDSOJGSA-N 2 0 270.461 2.948 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)C1CCCCC1 ZINC000165962794 520292103 /nfs/dbraw/zinc/29/21/03/520292103.db2.gz CXYTXJRONCBFRE-ZBFHGGJFSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000085380559 520361984 /nfs/dbraw/zinc/36/19/84/520361984.db2.gz VCBYCCIIACCMKX-HUUCEWRRSA-N 2 0 268.445 2.652 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCCCC2 ZINC000087300444 520424450 /nfs/dbraw/zinc/42/44/50/520424450.db2.gz NMBIKGXRTSCZBH-SSHXOBKSSA-N 2 0 280.456 2.974 20 0 CFADRP c1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422748429 534494892 /nfs/dbraw/zinc/49/48/92/534494892.db2.gz ULORWDQTMPOXNK-TVXGVJEUSA-N 2 0 285.435 2.528 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000334841452 520498400 /nfs/dbraw/zinc/49/84/00/520498400.db2.gz IJAAYZYMNSSADP-OAHLLOKOSA-N 2 0 258.365 2.911 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423211322 534497884 /nfs/dbraw/zinc/49/78/84/534497884.db2.gz KXNGJDRHXUNXNJ-MLGOLLRUSA-N 2 0 262.372 2.792 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420420724 534501824 /nfs/dbraw/zinc/50/18/24/534501824.db2.gz YIXNMHZVGNTUMG-SZMVWBNQSA-N 2 0 288.435 2.744 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000087708569 520573251 /nfs/dbraw/zinc/57/32/51/520573251.db2.gz SWFQKLKOYBTPBV-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000422953726 534504146 /nfs/dbraw/zinc/50/41/46/534504146.db2.gz GJHOGCWAKVUQLH-LBEMJPCMSA-N 2 0 260.356 2.686 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000328469884 520609946 /nfs/dbraw/zinc/60/99/46/520609946.db2.gz ZDKYSRLGBBHXGE-IAGOWNOFSA-N 2 0 288.435 2.666 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000070344713 520623962 /nfs/dbraw/zinc/62/39/62/520623962.db2.gz YKAPEXBURJJOKQ-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000365056911 520624371 /nfs/dbraw/zinc/62/43/71/520624371.db2.gz XASZJZQSSXRGSC-YESZJQIVSA-N 2 0 282.472 2.903 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000085671233 520665708 /nfs/dbraw/zinc/66/57/08/520665708.db2.gz CTLFYXHVCKUMFN-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCC2)c1 ZINC000423421252 534512301 /nfs/dbraw/zinc/51/23/01/534512301.db2.gz AVDHPAGYXLCUSW-RCCFBDPRSA-N 2 0 285.435 2.901 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C[NH3+])C(C)C)c1 ZINC000087521901 520758503 /nfs/dbraw/zinc/75/85/03/520758503.db2.gz DSYVUGMKGQAMCL-MRXNPFEDSA-N 2 0 291.439 2.698 20 0 CFADRP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422940120 534524423 /nfs/dbraw/zinc/52/44/23/534524423.db2.gz ISIDEWMDENKRNN-BRWVUGGUSA-N 2 0 292.398 2.715 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCN(c3ccccc3)CC2)CCCCC1 ZINC000414845151 534548380 /nfs/dbraw/zinc/54/83/80/534548380.db2.gz QQYQTAKDBVOBDJ-UHFFFAOYSA-N 2 0 287.451 2.907 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415067245 534553816 /nfs/dbraw/zinc/55/38/16/534553816.db2.gz KGHJXNWOIMSJSJ-UHFFFAOYSA-N 2 0 284.407 2.617 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCCn2ccnc2C)C1 ZINC000162083333 521499172 /nfs/dbraw/zinc/49/91/72/521499172.db2.gz WAEMPCZQVSGWAL-QGZVFWFLSA-N 2 0 292.471 2.635 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236932723 521643372 /nfs/dbraw/zinc/64/33/72/521643372.db2.gz PDORYKRORLDOIW-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000163870569 521646578 /nfs/dbraw/zinc/64/65/78/521646578.db2.gz CFUJNKXQDHNBNF-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP CCC[NH+](CCC)CCCc1nc(C2([NH3+])CCCC2)no1 ZINC000339388036 521647197 /nfs/dbraw/zinc/64/71/97/521647197.db2.gz RKXSWKBWOSTFHP-UHFFFAOYSA-N 2 0 294.443 2.852 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000155552851 521691337 /nfs/dbraw/zinc/69/13/37/521691337.db2.gz PRYJKQIDQADSSG-LSDHHAIUSA-N 2 0 293.430 2.502 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000155712583 521694470 /nfs/dbraw/zinc/69/44/70/521694470.db2.gz GTVNJKMGYAHAGV-CABCVRRESA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccncc2)C[C@@H]1C ZINC000360456609 521714047 /nfs/dbraw/zinc/71/40/47/521714047.db2.gz SDZIYMZMWDWVLE-DOTOQJQBSA-N 2 0 275.440 2.819 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CCC(C)C)C[C@@H]1C ZINC000360676504 521719747 /nfs/dbraw/zinc/71/97/47/521719747.db2.gz PCLJTCICIPMBDB-HRCADAONSA-N 2 0 270.461 2.588 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000353521704 521792938 /nfs/dbraw/zinc/79/29/38/521792938.db2.gz SCLVRUPTENEFBX-UHFFFAOYSA-N 2 0 296.842 2.883 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305771734 521937221 /nfs/dbraw/zinc/93/72/21/521937221.db2.gz RSYUOCUYBJYYKW-XJNFMUPTSA-N 2 0 282.472 2.779 20 0 CFADRP C[NH2+]CC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000063159934 521976463 /nfs/dbraw/zinc/97/64/63/521976463.db2.gz PXHKZXDNUZHXCX-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414905854 534604933 /nfs/dbraw/zinc/60/49/33/534604933.db2.gz OOCVUWSZFNFGPE-HUUCEWRRSA-N 2 0 250.361 2.790 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414902657 534605010 /nfs/dbraw/zinc/60/50/10/534605010.db2.gz KKAKTDWUKNWXRB-UHFFFAOYSA-N 2 0 252.305 2.595 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414914557 534605774 /nfs/dbraw/zinc/60/57/74/534605774.db2.gz XUDCHVRDMQUUKP-UHFFFAOYSA-N 2 0 267.423 2.700 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414897706 534605804 /nfs/dbraw/zinc/60/58/04/534605804.db2.gz CFWWUHYQNVXIBT-UHFFFAOYSA-N 2 0 278.787 2.559 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423327350 534607425 /nfs/dbraw/zinc/60/74/25/534607425.db2.gz MYRMNMSUCDKKKE-BCDXTJNWSA-N 3 0 287.451 2.511 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000150287027 522055327 /nfs/dbraw/zinc/05/53/27/522055327.db2.gz FHXOMPXVEUFQCZ-LBPRGKRZSA-N 2 0 254.324 2.666 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC000071146943 522090733 /nfs/dbraw/zinc/09/07/33/522090733.db2.gz VPAFZHSFLANTOH-MRXNPFEDSA-N 2 0 276.424 2.614 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309690633 522257031 /nfs/dbraw/zinc/25/70/31/522257031.db2.gz CVHYYFXYLCBQFT-ZWKOTPCHSA-N 2 0 290.451 2.913 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000234750138 522288742 /nfs/dbraw/zinc/28/87/42/522288742.db2.gz XSWJPHBFWQUQKP-TZMCWYRMSA-N 2 0 268.376 2.539 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)C(C)C ZINC000234747019 522288986 /nfs/dbraw/zinc/28/89/86/522288986.db2.gz VFJKZYCQGICPNR-HZPDHXFCSA-N 2 0 264.413 2.727 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)CCO2 ZINC000051694387 522560669 /nfs/dbraw/zinc/56/06/69/522560669.db2.gz ABPCFUYWNJFUPE-GPANFISMSA-N 2 0 274.408 2.932 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCOC1 ZINC000157942769 522581524 /nfs/dbraw/zinc/58/15/24/522581524.db2.gz RGZUBUGLONPNIZ-BBWFWOEESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192931393 522591421 /nfs/dbraw/zinc/59/14/21/522591421.db2.gz FCOZEJBVXGHUJG-IRXDYDNUSA-N 2 0 276.424 2.523 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccsc1 ZINC000050952644 522728365 /nfs/dbraw/zinc/72/83/65/522728365.db2.gz YUBXXBGIOBPBPB-UHFFFAOYSA-N 2 0 252.427 2.960 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccs1 ZINC000155635616 522857932 /nfs/dbraw/zinc/85/79/32/522857932.db2.gz MLBIKCGHVZAOGG-LSDHHAIUSA-N 2 0 295.496 2.815 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422939703 534681070 /nfs/dbraw/zinc/68/10/70/534681070.db2.gz IEWKLHIRYRQWSR-CABCVRRESA-N 2 0 264.413 2.788 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422939684 534681527 /nfs/dbraw/zinc/68/15/27/534681527.db2.gz ICTFBGDAZFUFQL-LSDHHAIUSA-N 2 0 262.397 2.542 20 0 CFADRP C[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000231669641 523285986 /nfs/dbraw/zinc/28/59/86/523285986.db2.gz FEWYMYBHNPSOOW-MRXNPFEDSA-N 2 0 269.392 2.809 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000361923357 523442869 /nfs/dbraw/zinc/44/28/69/523442869.db2.gz DEDBRDCMEABZDD-GJZGRUSLSA-N 2 0 270.461 2.758 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422848548 534710758 /nfs/dbraw/zinc/71/07/58/534710758.db2.gz KDQMONSEVRGSQN-YFKTTZPYSA-N 2 0 264.335 2.825 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000338417422 523583918 /nfs/dbraw/zinc/58/39/18/523583918.db2.gz AYKWOSZOILQGGD-AWEZNQCLSA-N 2 0 298.858 2.829 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000414997767 534725127 /nfs/dbraw/zinc/72/51/27/534725127.db2.gz PYKBSIOQENYIIN-BBRMVZONSA-N 2 0 269.392 2.842 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000225339667 523759161 /nfs/dbraw/zinc/75/91/61/523759161.db2.gz CKFLORWRAXHHIH-UHFFFAOYSA-N 2 0 273.833 2.618 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccsc2)CC1 ZINC000336362917 523788729 /nfs/dbraw/zinc/78/87/29/523788729.db2.gz XVSRDBOCNGSWFS-UHFFFAOYSA-N 2 0 250.411 2.808 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccs3)CC[C@H]21 ZINC000246454252 523834076 /nfs/dbraw/zinc/83/40/76/523834076.db2.gz NUZDQKAYYCTOLR-TZMCWYRMSA-N 2 0 250.411 2.664 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CCCC[NH+](C)C ZINC000337335429 523836929 /nfs/dbraw/zinc/83/69/29/523836929.db2.gz LMGUNMXNRGNTOA-UHFFFAOYSA-N 2 0 264.413 2.689 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309706595 523898662 /nfs/dbraw/zinc/89/86/62/523898662.db2.gz HZNJFEHXWYBRMF-ZMSDIMECSA-N 2 0 276.424 2.522 20 0 CFADRP CCc1ccc(CC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000360836988 523915291 /nfs/dbraw/zinc/91/52/91/523915291.db2.gz USAHHBICYBPWNI-UHFFFAOYSA-N 2 0 260.425 2.818 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1 ZINC000361983998 523977849 /nfs/dbraw/zinc/97/78/49/523977849.db2.gz WTGOIICPGPVHHS-BLLLJJGKSA-N 2 0 296.842 2.821 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663951 523983325 /nfs/dbraw/zinc/98/33/25/523983325.db2.gz FTUAXTTVSLVDOT-HNNXBMFYSA-N 2 0 278.440 2.948 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3=CCCOC3)C[C@H]2[C@H]1c1ccccc1 ZINC000360792024 524014478 /nfs/dbraw/zinc/01/44/78/524014478.db2.gz SEXLWMSZCWOXQL-GUDVDZBRSA-N 2 0 298.430 2.568 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCc4ccccc43)C[C@@H]2C1 ZINC000193626299 524016833 /nfs/dbraw/zinc/01/68/33/524016833.db2.gz REGFEWWYPMPNEQ-HLLBOEOZSA-N 2 0 256.393 2.557 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000339216330 524052799 /nfs/dbraw/zinc/05/27/99/524052799.db2.gz VLGQCSWGKMNCTP-UHFFFAOYSA-N 2 0 287.407 2.697 20 0 CFADRP CN(CCC[N@H+](C)[C@@H]1C=CCCCCC1)CC[NH+](C)C ZINC000339206232 524060928 /nfs/dbraw/zinc/06/09/28/524060928.db2.gz QHCDHLTVDZADHF-QGZVFWFLSA-N 2 0 281.488 2.691 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309983793 524137541 /nfs/dbraw/zinc/13/75/41/524137541.db2.gz WHPFXKIYQPUOLH-AEFFLSMTSA-N 2 0 289.467 2.758 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000168630299 524174148 /nfs/dbraw/zinc/17/41/48/524174148.db2.gz PZTDVQNMRHXIHE-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000084132326 524263601 /nfs/dbraw/zinc/26/36/01/524263601.db2.gz SBWMVIZBECJCBD-QGZVFWFLSA-N 2 0 258.409 2.797 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000336212152 524352311 /nfs/dbraw/zinc/35/23/11/524352311.db2.gz BPWHHGAXFNXGSX-QGZVFWFLSA-N 2 0 258.409 2.565 20 0 CFADRP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431828 524402839 /nfs/dbraw/zinc/40/28/39/524402839.db2.gz DETCIAIQEVNMJZ-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353434945 524438001 /nfs/dbraw/zinc/43/80/01/524438001.db2.gz KDCWNHGSKHOMFM-BBWFWOEESA-N 2 0 258.409 2.957 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000334861383 524441141 /nfs/dbraw/zinc/44/11/41/524441141.db2.gz CVHKPQGXOUKISK-HOTGVXAUSA-N 2 0 294.464 2.775 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228203239 524446326 /nfs/dbraw/zinc/44/63/26/524446326.db2.gz DKXKBIUEYDMORC-JKSUJKDBSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCCn1ccc2ccccc21 ZINC000311954195 524456916 /nfs/dbraw/zinc/45/69/16/524456916.db2.gz KFXHMNHCXMKTIF-AWEZNQCLSA-N 2 0 259.397 2.748 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1C[NH3+] ZINC000163841172 524509751 /nfs/dbraw/zinc/50/97/51/524509751.db2.gz UUEVPRIFFQASDL-OCCSQVGLSA-N 2 0 287.382 2.791 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000157595713 524549370 /nfs/dbraw/zinc/54/93/70/524549370.db2.gz JNIVIKUNNQUVQQ-KRWDZBQOSA-N 2 0 292.471 2.763 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)CC[C@@H]1[NH3+] ZINC000150301534 524617968 /nfs/dbraw/zinc/61/79/68/524617968.db2.gz DRAWRNKVSBFIIW-GWCFXTLKSA-N 2 0 254.324 2.793 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CCO)C(C)(C)C ZINC000300716398 524647083 /nfs/dbraw/zinc/64/70/83/524647083.db2.gz XQKMILIBHBBUJW-RBSFLKMASA-N 2 0 270.461 2.684 20 0 CFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422840555 534800964 /nfs/dbraw/zinc/80/09/64/534800964.db2.gz BSTLERIXUXGTGG-NEPJUHHUSA-N 2 0 290.386 2.535 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422880572 534802049 /nfs/dbraw/zinc/80/20/49/534802049.db2.gz OMECQGISLIENDF-HZPDHXFCSA-N 2 0 290.451 2.759 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000422912115 534803296 /nfs/dbraw/zinc/80/32/96/534803296.db2.gz VLAPMPKTVPYIJR-GXTWGEPZSA-N 2 0 281.469 2.752 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000422911104 534803391 /nfs/dbraw/zinc/80/33/91/534803391.db2.gz SEQIGUDHYDBRTJ-ZIAGYGMSSA-N 2 0 281.469 2.881 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC1CC[NH+](C)CC1 ZINC000054241410 524752399 /nfs/dbraw/zinc/75/23/99/524752399.db2.gz BKBIJFDLESXRGB-GFCCVEGCSA-N 2 0 252.427 2.611 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000340672486 524913862 /nfs/dbraw/zinc/91/38/62/524913862.db2.gz ANXMRDYDIGUPSM-INIZCTEOSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000166886908 524972748 /nfs/dbraw/zinc/97/27/48/524972748.db2.gz UGDNEKORSIMBBH-BBRMVZONSA-N 2 0 264.388 2.606 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339406932 525013172 /nfs/dbraw/zinc/01/31/72/525013172.db2.gz ICRGSNINLIXUBO-HUUCEWRRSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]CC2CC2)C[C@@H](C)O1 ZINC000066990219 525014253 /nfs/dbraw/zinc/01/42/53/525014253.db2.gz VYZJGPGRJDIQHW-HUUCEWRRSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000335032016 525027147 /nfs/dbraw/zinc/02/71/47/525027147.db2.gz VKQBOIKGGGHBCL-GFCCVEGCSA-N 2 0 295.386 2.604 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000049553159 525157427 /nfs/dbraw/zinc/15/74/27/525157427.db2.gz IIQDJGLABUUPIS-QWHCGFSZSA-N 2 0 250.386 2.686 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309673880 525178471 /nfs/dbraw/zinc/17/84/71/525178471.db2.gz VBKJSGBTCWGGSI-HYVNUMGLSA-N 2 0 290.476 2.850 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309850590 525271223 /nfs/dbraw/zinc/27/12/23/525271223.db2.gz ZZISUTYYMLAPLH-ZWKOTPCHSA-N 2 0 288.435 2.667 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH3+])c1cc(Br)cs1 ZINC000229851378 525435427 /nfs/dbraw/zinc/43/54/27/525435427.db2.gz PVLBYXPFSKADJE-MRVPVSSYSA-N 2 0 277.231 2.900 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000314084803 525490548 /nfs/dbraw/zinc/49/05/48/525490548.db2.gz YTLTYMQEBRPHDA-UONOGXRCSA-N 2 0 292.423 2.696 20 0 CFADRP CSCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309951402 525505330 /nfs/dbraw/zinc/50/53/30/525505330.db2.gz GIXQKWJFLFPOCB-SJORKVTESA-N 2 0 290.476 2.803 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c(C)s1 ZINC000151797807 525516323 /nfs/dbraw/zinc/51/63/23/525516323.db2.gz RSEWEZIQMUGLEJ-ZDUSSCGKSA-N 2 0 296.480 2.720 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCOCC[NH+](C)C)c(C)s1 ZINC000231786907 525518418 /nfs/dbraw/zinc/51/84/18/525518418.db2.gz YOXUTFRJNKSKRU-LBPRGKRZSA-N 2 0 270.442 2.594 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000049577406 525522784 /nfs/dbraw/zinc/52/27/84/525522784.db2.gz NCQITMZPAKZMFJ-LLVKDONJSA-N 2 0 268.351 2.785 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)C1(C)CC1 ZINC000162583012 525535858 /nfs/dbraw/zinc/53/58/58/525535858.db2.gz MTXIJRTUURWGRF-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP CSc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311917246 525994544 /nfs/dbraw/zinc/99/45/44/525994544.db2.gz RWGUOUNHLOJGET-GASCZTMLSA-N 2 0 276.449 2.840 20 0 CFADRP C[C@@H](c1ccccc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334979833 526107721 /nfs/dbraw/zinc/10/77/21/526107721.db2.gz JSUOLDSZJRUECT-KBPBESRZSA-N 2 0 292.398 2.574 20 0 CFADRP Fc1cc(F)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000157032634 526307180 /nfs/dbraw/zinc/30/71/80/526307180.db2.gz DHBSSJRNWBLTGR-INIZCTEOSA-N 2 0 280.362 2.929 20 0 CFADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000414739058 526328083 /nfs/dbraw/zinc/32/80/83/526328083.db2.gz PKBKDGIYLMRODY-HNNXBMFYSA-N 2 0 295.858 2.674 20 0 CFADRP Fc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000334871652 526330538 /nfs/dbraw/zinc/33/05/38/526330538.db2.gz ZACIKHDWTMGYQI-GOEBONIOSA-N 2 0 262.372 2.790 20 0 CFADRP c1cc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000360453322 526418499 /nfs/dbraw/zinc/41/84/99/526418499.db2.gz DCGMKFFRVQIXOP-SFHVURJKSA-N 2 0 287.451 2.822 20 0 CFADRP C1=C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000173959489 526419905 /nfs/dbraw/zinc/41/99/05/526419905.db2.gz DFEQUZMFRZGAAM-MRXNPFEDSA-N 2 0 278.440 2.672 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000311120066 526744063 /nfs/dbraw/zinc/74/40/63/526744063.db2.gz UFEWLMIPKIRAEB-ZWNOBZJWSA-N 2 0 267.442 2.943 20 0 CFADRP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423165631 526812294 /nfs/dbraw/zinc/81/22/94/526812294.db2.gz BIDADVCIIZNGNY-IUODEOHRSA-N 2 0 261.413 2.596 20 0 CFADRP CC(C)(C)c1ncc(C[NH2+]CC[C@@H]2CC[NH2+]C2)s1 ZINC000414837548 526880334 /nfs/dbraw/zinc/88/03/34/526880334.db2.gz UMGOMKWFBVOBLV-NSHDSACASA-N 2 0 267.442 2.530 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cs1 ZINC000360997480 527063156 /nfs/dbraw/zinc/06/31/56/527063156.db2.gz NEELJWDUGZHXEK-NSHDSACASA-N 2 0 279.453 2.977 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422803188 527078701 /nfs/dbraw/zinc/07/87/01/527078701.db2.gz IHVXAOFROGQAEY-XEBKBJJBSA-N 2 0 289.423 2.813 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cc2s1 ZINC000334867395 527138143 /nfs/dbraw/zinc/13/81/43/527138143.db2.gz DMXJHCYERIPCMP-ZWNOBZJWSA-N 2 0 275.421 2.835 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000051692962 527141828 /nfs/dbraw/zinc/14/18/28/527141828.db2.gz DPOADQROACFACE-UHFFFAOYSA-N 2 0 288.313 2.945 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000070074099 527194361 /nfs/dbraw/zinc/19/43/61/527194361.db2.gz WJCJLZQGEVNDMJ-OAHLLOKOSA-N 2 0 262.397 2.516 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000084220582 527216920 /nfs/dbraw/zinc/21/69/20/527216920.db2.gz RTKJCKQKDQLUSH-WCQYABFASA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000219721856 527233492 /nfs/dbraw/zinc/23/34/92/527233492.db2.gz UFVUVPRRIQFZEV-GFCCVEGCSA-N 2 0 288.313 2.756 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423290205 527259515 /nfs/dbraw/zinc/25/95/15/527259515.db2.gz ZOSHIADVAPLBLM-CABCVRRESA-N 2 0 276.424 2.697 20 0 CFADRP Cc1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000340428907 527273720 /nfs/dbraw/zinc/27/37/20/527273720.db2.gz CBXJNAMGIZGRHI-UHFFFAOYSA-N 2 0 298.434 2.915 20 0 CFADRP Cn1cccc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000360095047 527397939 /nfs/dbraw/zinc/39/79/39/527397939.db2.gz DJIGPFXQGSQBSW-CZUORRHYSA-N 2 0 289.448 2.869 20 0 CFADRP C(CC[NH2+]C1CC[NH2+]CC1)CCOC1CCCCC1 ZINC000422703020 527478196 /nfs/dbraw/zinc/47/81/96/527478196.db2.gz GNJVVXICSYCKJH-UHFFFAOYSA-N 2 0 268.445 2.848 20 0 CFADRP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000423210559 527489759 /nfs/dbraw/zinc/48/97/59/527489759.db2.gz JWIJPLGPPWBCAS-UQPPLGOBSA-N 2 0 280.456 2.846 20 0 CFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000422799764 527538936 /nfs/dbraw/zinc/53/89/36/527538936.db2.gz YJRVVPGEEPSZLN-AWEZNQCLSA-N 2 0 291.439 2.888 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423130914 527629062 /nfs/dbraw/zinc/62/90/62/527629062.db2.gz HBFFCMKEGQABFJ-MTERUZRBSA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCC1 ZINC000422871972 527695454 /nfs/dbraw/zinc/69/54/54/527695454.db2.gz FCJWDSOFTJAEDU-QLFBSQMISA-N 2 0 268.445 2.545 20 0 CFADRP CCC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCOCC1 ZINC000422806042 527751746 /nfs/dbraw/zinc/75/17/46/527751746.db2.gz HQMSRFCDTHPZOY-WBVHZDCISA-N 2 0 290.451 2.741 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422738922 527848624 /nfs/dbraw/zinc/84/86/24/527848624.db2.gz KLIHLSMYKRIQBF-MSOLQXFVSA-N 3 0 289.467 2.745 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@H]1Oc1ccccc1 ZINC000423247092 527870476 /nfs/dbraw/zinc/87/04/76/527870476.db2.gz KRTDUBYTBRCWGU-DJIMGWMZSA-N 2 0 288.435 2.822 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414860272 527872344 /nfs/dbraw/zinc/87/23/44/527872344.db2.gz PBBYAIUCGGHTHW-LSDHHAIUSA-N 2 0 268.445 2.831 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(C(C)C)s2)[C@@H](C)C1 ZINC000426301803 527880091 /nfs/dbraw/zinc/88/00/91/527880091.db2.gz OULIZLSUUXYMTQ-STQMWFEESA-N 2 0 296.484 2.524 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCCC2)C1(C)C ZINC000423198321 527936558 /nfs/dbraw/zinc/93/65/58/527936558.db2.gz FFZKQVUEXMVEEP-UONOGXRCSA-N 2 0 268.445 2.831 20 0 CFADRP CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422961548 528011235 /nfs/dbraw/zinc/01/12/35/528011235.db2.gz ZDWRJMZRBKFSMA-CVEARBPZSA-N 2 0 297.487 2.535 20 0 CFADRP CCC[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000177272837 528050093 /nfs/dbraw/zinc/05/00/93/528050093.db2.gz OFDWZFDZCSLJGY-ULQDDVLXSA-N 2 0 281.488 2.665 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H](C)c1c[nH+]ccc1N ZINC000422712310 528060831 /nfs/dbraw/zinc/06/08/31/528060831.db2.gz NWGASEMLXMLDGU-CQSZACIVSA-N 2 0 278.444 2.657 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414054580 528118404 /nfs/dbraw/zinc/11/84/04/528118404.db2.gz NKZYOPPXHRZNRX-GJZGRUSLSA-N 2 0 292.471 2.990 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414693048 528122940 /nfs/dbraw/zinc/12/29/40/528122940.db2.gz DHEOXZXBZYPMGL-HHARLNAUSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])C1(C)C ZINC000422768500 528132762 /nfs/dbraw/zinc/13/27/62/528132762.db2.gz NZMITWBPLWLWOS-APIJFGDWSA-N 2 0 268.445 2.543 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccoc2C)CC1 ZINC000414393022 528140549 /nfs/dbraw/zinc/14/05/49/528140549.db2.gz CPCRDKPZJBBIKD-UHFFFAOYSA-N 2 0 294.439 2.911 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000352843652 528142815 /nfs/dbraw/zinc/14/28/15/528142815.db2.gz BJRXSCVAWSRWFK-CGTJXYLNSA-N 2 0 294.483 2.661 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1(C)C ZINC000414198908 528143412 /nfs/dbraw/zinc/14/34/12/528143412.db2.gz YLKZLTOUOCKSFU-GJZGRUSLSA-N 2 0 273.380 2.628 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CNCC[NH2+]C(C)(C)C)cc1 ZINC000414835319 528144095 /nfs/dbraw/zinc/14/40/95/528144095.db2.gz RNRCOJGKKWMMDI-MRXNPFEDSA-N 2 0 277.456 2.788 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423243058 528144219 /nfs/dbraw/zinc/14/42/19/528144219.db2.gz MPTXQRRNWRCZDQ-ZTFGCOKTSA-N 2 0 289.467 2.788 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422863554 528152118 /nfs/dbraw/zinc/15/21/18/528152118.db2.gz RZLPAHGRFTYCKM-AEFFLSMTSA-N 2 0 290.451 2.981 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422835028 528161862 /nfs/dbraw/zinc/16/18/62/528161862.db2.gz XYDWZCAMYFYCQG-OLZOCXBDSA-N 2 0 250.386 2.689 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414911362 528163049 /nfs/dbraw/zinc/16/30/49/528163049.db2.gz GPMOXMDKWRJKBF-HNNXBMFYSA-N 2 0 262.397 2.706 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422826691 528163066 /nfs/dbraw/zinc/16/30/66/528163066.db2.gz LTRXIDYYZAZGNX-RHSMWYFYSA-N 2 0 276.424 2.952 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)C[C@H](C)[NH3+] ZINC000422830818 528171474 /nfs/dbraw/zinc/17/14/74/528171474.db2.gz DCGUKONJTKCFFM-VGWMRTNUSA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422898696 528173518 /nfs/dbraw/zinc/17/35/18/528173518.db2.gz MSUTZQYUWVXRJW-UONOGXRCSA-N 2 0 264.413 2.937 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422742267 528184490 /nfs/dbraw/zinc/18/44/90/528184490.db2.gz RAOBXOLZBJBDGT-KGLIPLIRSA-N 2 0 264.413 2.937 20 0 CFADRP CCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173956925 528184940 /nfs/dbraw/zinc/18/49/40/528184940.db2.gz NPTKLHUFTXQSSB-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425346358 528188582 /nfs/dbraw/zinc/18/85/82/528188582.db2.gz KHEXKERYXPWYRF-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCC[NH3+] ZINC000414914882 528194697 /nfs/dbraw/zinc/19/46/97/528194697.db2.gz YAHWPNREKMCGKS-CQSZACIVSA-N 2 0 291.439 2.856 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000414875659 528194840 /nfs/dbraw/zinc/19/48/40/528194840.db2.gz KEJRNRHQGMGTCZ-KGLIPLIRSA-N 2 0 291.439 2.712 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422959289 528204547 /nfs/dbraw/zinc/20/45/47/528204547.db2.gz RJHCMJCQVXXWAR-KGLIPLIRSA-N 2 0 264.413 2.904 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423107081 528237207 /nfs/dbraw/zinc/23/72/07/528237207.db2.gz KLSCZOWAXIXUFS-ULQDDVLXSA-N 2 0 281.488 2.761 20 0 CFADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414853312 528276657 /nfs/dbraw/zinc/27/66/57/528276657.db2.gz RWZYMWHHEKCABU-CQSZACIVSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414792363 528351139 /nfs/dbraw/zinc/35/11/39/528351139.db2.gz CDOXPCKWIZTXPI-WCQYABFASA-N 2 0 267.442 2.874 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422785201 528459361 /nfs/dbraw/zinc/45/93/61/528459361.db2.gz MWBJBNIPRLPPIF-DOTOQJQBSA-N 2 0 275.440 2.620 20 0 CFADRP CC(C)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCCCC1 ZINC000422968320 528463481 /nfs/dbraw/zinc/46/34/81/528463481.db2.gz WIGDGBALZJGHAB-GVDBMIGSSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCC[NH3+] ZINC000414744212 528489459 /nfs/dbraw/zinc/48/94/59/528489459.db2.gz OGYZZVMAPVDZTM-OAHLLOKOSA-N 2 0 252.377 2.673 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414867338 528509245 /nfs/dbraw/zinc/50/92/45/528509245.db2.gz IJIKPTCQFPYMLP-WBVHZDCISA-N 2 0 281.488 2.619 20 0 CFADRP CCC[NH2+]CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414877452 528515141 /nfs/dbraw/zinc/51/51/41/528515141.db2.gz XPFKNWRICYBUCD-FUHWJXTLSA-N 2 0 289.467 2.629 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000423285007 528531096 /nfs/dbraw/zinc/53/10/96/528531096.db2.gz YRCLVKKILKECFX-WFASDCNBSA-N 2 0 260.381 2.937 20 0 CFADRP CC(C)[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423201747 528587347 /nfs/dbraw/zinc/58/73/47/528587347.db2.gz JHAJBWISGMDFCB-MRXNPFEDSA-N 2 0 295.858 2.532 20 0 CFADRP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1OCC ZINC000422756038 528593695 /nfs/dbraw/zinc/59/36/95/528593695.db2.gz LAFDOAPSFVUWJT-CYBMUJFWSA-N 2 0 292.423 2.887 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422697913 528597689 /nfs/dbraw/zinc/59/76/89/528597689.db2.gz WUGWITIDIGAPJV-KBPBESRZSA-N 2 0 264.413 2.829 20 0 CFADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CCC(C)C)CC[NH2+]CC1 ZINC000422737271 528610175 /nfs/dbraw/zinc/61/01/75/528610175.db2.gz ZLTRPBNHYXVXAJ-HUUCEWRRSA-N 2 0 298.471 2.722 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1(C)C ZINC000423213786 528636867 /nfs/dbraw/zinc/63/68/67/528636867.db2.gz OBFGRXMMHDXWAW-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000422816674 528642167 /nfs/dbraw/zinc/64/21/67/528642167.db2.gz FRNRSRIHZCHKDE-RFQIPJPRSA-N 2 0 256.434 2.686 20 0 CFADRP CCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414849777 528653595 /nfs/dbraw/zinc/65/35/95/528653595.db2.gz LXCNMQNJIVXHDG-CQSZACIVSA-N 2 0 262.397 2.565 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000442919703 528669339 /nfs/dbraw/zinc/66/93/39/528669339.db2.gz GAGZLVLRZUHUBV-ZDUSSCGKSA-N 2 0 281.469 2.902 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1OC ZINC000414884485 528676638 /nfs/dbraw/zinc/67/66/38/528676638.db2.gz NLANCDFQQBXLFS-ZDUSSCGKSA-N 2 0 280.412 2.559 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414921776 528687310 /nfs/dbraw/zinc/68/73/10/528687310.db2.gz FVCLIOOJNLMYHZ-HUUCEWRRSA-N 2 0 292.423 2.844 20 0 CFADRP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1 ZINC000423255633 528725124 /nfs/dbraw/zinc/72/51/24/528725124.db2.gz ALEXGMPGQXFLQL-KBPBESRZSA-N 2 0 264.413 2.982 20 0 CFADRP CCOc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843820 528731452 /nfs/dbraw/zinc/73/14/52/528731452.db2.gz CYQSJEQIBZQHNC-CQSZACIVSA-N 2 0 262.397 2.565 20 0 CFADRP CCCc1nc(C)c(C[NH2+]C2CCC(C[NH3+])CC2)o1 ZINC000423124051 528732787 /nfs/dbraw/zinc/73/27/87/528732787.db2.gz FTIWYXPVAVEGRM-UHFFFAOYSA-N 2 0 265.401 2.543 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H](C)CCC[NH3+])c1 ZINC000422992049 528751933 /nfs/dbraw/zinc/75/19/33/528751933.db2.gz QNBAMOQIVMRNEF-CQSZACIVSA-N 2 0 264.413 2.735 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415104453 528752381 /nfs/dbraw/zinc/75/23/81/528752381.db2.gz GYMAXAXVLJCZNB-CVEARBPZSA-N 2 0 268.445 2.641 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[NH+]1CCCC1 ZINC000422815077 528820596 /nfs/dbraw/zinc/82/05/96/528820596.db2.gz ASIYCERZLRBAGE-VMWRSERWSA-N 3 0 295.515 2.994 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000414807469 528842997 /nfs/dbraw/zinc/84/29/97/528842997.db2.gz RAQQWDUNRSXNMF-HZPDHXFCSA-N 2 0 290.455 2.533 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000423286948 528952653 /nfs/dbraw/zinc/95/26/53/528952653.db2.gz JOJXEYHRRFKSAT-HIFRSBDPSA-N 2 0 264.413 2.870 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423287594 528956309 /nfs/dbraw/zinc/95/63/09/528956309.db2.gz NFXQRYGHJUNAKB-STQMWFEESA-N 2 0 256.434 2.686 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000414809538 528958751 /nfs/dbraw/zinc/95/87/51/528958751.db2.gz GVGNXFTYNLGWKY-JQHSSLGASA-N 2 0 289.467 2.929 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[NH+]1CCCCCC1 ZINC000422963289 529016413 /nfs/dbraw/zinc/01/64/13/529016413.db2.gz IDGPTRSRGNJLOB-KURKYZTESA-N 2 0 295.515 2.865 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000422813711 529016453 /nfs/dbraw/zinc/01/64/53/529016453.db2.gz SFTRNHNDUIGFSD-LEUOFYLZSA-N 2 0 290.451 2.768 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414786443 529068365 /nfs/dbraw/zinc/06/83/65/529068365.db2.gz BELBDDPBRPESHX-SWLSCSKDSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414804859 529070748 /nfs/dbraw/zinc/07/07/48/529070748.db2.gz XXVGZQIRXKOTPG-BRWVUGGUSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)[C@H]([NH3+])CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414793638 529071274 /nfs/dbraw/zinc/07/12/74/529071274.db2.gz KZWDXDUZKIPQTL-CGTJXYLNSA-N 2 0 289.467 2.612 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414786441 529071371 /nfs/dbraw/zinc/07/13/71/529071371.db2.gz BELBDDPBRPESHX-IUODEOHRSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423285698 529072566 /nfs/dbraw/zinc/07/25/66/529072566.db2.gz ZOFPZQBPMUCZLB-IKGGRYGDSA-N 2 0 290.451 2.943 20 0 CFADRP CC(C)[C@H]([NH2+]CCCC[NH3+])c1cc(F)ccc1F ZINC000423320469 529120266 /nfs/dbraw/zinc/12/02/66/529120266.db2.gz GKVKRVLHWBYXGF-AWEZNQCLSA-N 2 0 256.340 2.990 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000422765188 529126291 /nfs/dbraw/zinc/12/62/91/529126291.db2.gz KPYNHAOFZWXYAH-DYVFJYSZSA-N 2 0 292.423 2.872 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193123617 529143705 /nfs/dbraw/zinc/14/37/05/529143705.db2.gz OTLQSJROYYDBOK-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH3+])c1cc(C)ccc1OC ZINC000423329971 529160497 /nfs/dbraw/zinc/16/04/97/529160497.db2.gz PEGLIMPJDSRWTG-CQSZACIVSA-N 2 0 250.386 2.783 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422801484 529161731 /nfs/dbraw/zinc/16/17/31/529161731.db2.gz FMRITWKQGOWLFU-SJORKVTESA-N 2 0 287.451 2.559 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1OC ZINC000423243035 529168091 /nfs/dbraw/zinc/16/80/91/529168091.db2.gz GCHKWHJTSMZIIL-DZGCQCFKSA-N 2 0 262.397 2.736 20 0 CFADRP CCSCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423111756 529178085 /nfs/dbraw/zinc/17/80/85/529178085.db2.gz JDQJOEMUNQXINF-HIFRSBDPSA-N 2 0 266.454 2.678 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414702745 529191359 /nfs/dbraw/zinc/19/13/59/529191359.db2.gz JEGWTBZXPQGNAG-IHRRRGAJSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423165003 529278178 /nfs/dbraw/zinc/27/81/78/529278178.db2.gz XOLGANAAPGAAQM-OXGONZEZSA-N 2 0 268.445 2.545 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422905035 529298008 /nfs/dbraw/zinc/29/80/08/529298008.db2.gz HOBPUVKVTMSVBI-BRWVUGGUSA-N 2 0 295.515 2.865 20 0 CFADRP CC[C@@H](C)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000133645735 535523775 /nfs/dbraw/zinc/52/37/75/535523775.db2.gz PJXNAFBORJJRBP-CQSZACIVSA-N 2 0 261.413 2.934 20 0 CFADRP CCC[C@H](C(=O)OCC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000502725820 535585661 /nfs/dbraw/zinc/58/56/61/535585661.db2.gz USCPKFGAMDMBJB-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCC(C)(C)C)CC1 ZINC000451977927 535671927 /nfs/dbraw/zinc/67/19/27/535671927.db2.gz FEOOUZBPLPWYNU-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC000449743954 535673051 /nfs/dbraw/zinc/67/30/51/535673051.db2.gz CNFWAFBIYLRBQL-MRXNPFEDSA-N 2 0 283.504 2.674 20 0 CFADRP CC[N@H+](CCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435615806 535724691 /nfs/dbraw/zinc/72/46/91/535724691.db2.gz QKBMOARXDJCVME-MRXNPFEDSA-N 2 0 276.424 2.920 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447533527 535741031 /nfs/dbraw/zinc/74/10/31/535741031.db2.gz YAOKQMQWQVZMIH-HIFRSBDPSA-N 2 0 293.455 2.573 20 0 CFADRP CCc1nocc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000507215435 535904436 /nfs/dbraw/zinc/90/44/36/535904436.db2.gz RWDMXUXKBRIKSX-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP C[NH+](C)Cc1cccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000261788777 536037506 /nfs/dbraw/zinc/03/75/06/536037506.db2.gz XOBWTHBJTLUEJH-GDBMZVCRSA-N 2 0 289.423 2.594 20 0 CFADRP C[NH+](C)Cc1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250360500 536039530 /nfs/dbraw/zinc/03/95/30/536039530.db2.gz SJKPPANGDPYZAO-SJORKVTESA-N 2 0 273.424 2.787 20 0 CFADRP C[N@H+](CCCF)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821601 536341960 /nfs/dbraw/zinc/34/19/60/536341960.db2.gz JTIBDQSJMTZRGQ-UHFFFAOYSA-N 2 0 279.403 2.980 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000341878846 536370796 /nfs/dbraw/zinc/37/07/96/536370796.db2.gz SFRGWESBPNFAHX-KURKYZTESA-N 2 0 288.435 2.838 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3cccnc3o2)C1 ZINC000459772433 536384814 /nfs/dbraw/zinc/38/48/14/536384814.db2.gz INGODHYKLLEMHU-CYBMUJFWSA-N 2 0 273.380 2.649 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1F ZINC000435368617 536519570 /nfs/dbraw/zinc/51/95/70/536519570.db2.gz BTCKWAYQOBZWJL-KCQAQPDRSA-N 2 0 294.414 2.682 20 0 CFADRP COC1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCCCC1 ZINC000459657794 536680980 /nfs/dbraw/zinc/68/09/80/536680980.db2.gz JJVGJISPZDUKJY-UHFFFAOYSA-N 2 0 273.380 2.773 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848745 536876824 /nfs/dbraw/zinc/87/68/24/536876824.db2.gz GUAMJPDJGODBCK-JZXOWHBKSA-N 2 0 290.451 2.564 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000163809875 545588572 /nfs/dbraw/zinc/58/85/72/545588572.db2.gz AGYWUMALJQPHSM-CJNGLKHVSA-N 2 0 261.413 2.853 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCO1 ZINC000152924308 574050115 /nfs/dbraw/zinc/05/01/15/574050115.db2.gz QJGNFPDKYINENO-CZUORRHYSA-N 2 0 266.429 2.551 20 0 CFADRP O[C@@H](C[NH2+]C(C1CCCC1)C1CCCC1)C[NH+]1CCCC1 ZINC000754144427 574077442 /nfs/dbraw/zinc/07/74/42/574077442.db2.gz QTDFOTMPDFHAOU-KRWDZBQOSA-N 2 0 294.483 2.782 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2ccoc2)ccc1F ZINC000734510531 574290449 /nfs/dbraw/zinc/29/04/49/574290449.db2.gz XGCICRNXUZZKHX-UHFFFAOYSA-N 2 0 262.328 2.770 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)C1CC[NH+](C)CC1 ZINC000396443761 574292287 /nfs/dbraw/zinc/29/22/87/574292287.db2.gz ATXINRAFITYJCS-HOCLYGCPSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@](C)(C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396443092 574292412 /nfs/dbraw/zinc/29/24/12/574292412.db2.gz BCPLZMUDDZFADZ-CRAIPNDOSA-N 2 0 290.451 2.868 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000743249372 574355534 /nfs/dbraw/zinc/35/55/34/574355534.db2.gz YRTMTSLUUJVBNG-MRXNPFEDSA-N 2 0 290.451 2.927 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000051693364 618049261 /nfs/dbraw/zinc/04/92/61/618049261.db2.gz WTEKIFCJHBLTFB-LMWSTFAQSA-N 2 0 278.396 2.624 20 0 CFADRP Cc1cc(NCCCCCCC[NH+]2CCCC2)nc(N)[nH+]1 ZINC000063248075 617606971 /nfs/dbraw/zinc/60/69/71/617606971.db2.gz XCSMKYRPNPUZOW-UHFFFAOYSA-N 2 0 291.443 2.825 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)Cc2ccccc21 ZINC000891500939 617638657 /nfs/dbraw/zinc/63/86/57/617638657.db2.gz YGNFPELMJLGWEA-CQSZACIVSA-N 2 0 258.409 2.948 20 0 CFADRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CCCC1)CC(C)C ZINC000066242747 617680684 /nfs/dbraw/zinc/68/06/84/617680684.db2.gz QUHFVJWLEYVPDS-OAHLLOKOSA-N 2 0 282.476 2.799 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC000891667038 617702323 /nfs/dbraw/zinc/70/23/23/617702323.db2.gz GFRJRVJLCKZQTO-UHFFFAOYSA-N 2 0 288.435 2.872 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC2CC[NH+](C)CC2)C1 ZINC000891735379 617733433 /nfs/dbraw/zinc/73/34/33/617733433.db2.gz ICRPAIZFDHAMRE-NUJGCVRESA-N 2 0 293.499 2.665 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CC1 ZINC000891797828 617758245 /nfs/dbraw/zinc/75/82/45/617758245.db2.gz XXJMREWUYIUVRD-KRWDZBQOSA-N 2 0 274.408 2.871 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933878557 617803884 /nfs/dbraw/zinc/80/38/84/617803884.db2.gz LNLCSOXQONUSQE-JKSUJKDBSA-N 2 0 280.456 2.942 20 0 CFADRP COC1CCC(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000892113561 617957825 /nfs/dbraw/zinc/95/78/25/617957825.db2.gz YJTIJWCVLCFLEN-AQFXKWCLSA-N 2 0 282.472 2.998 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC[C@@H]2CCCCO2)CC1 ZINC000129500316 618040701 /nfs/dbraw/zinc/04/07/01/618040701.db2.gz JZJRTADBKRIXLV-INIZCTEOSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926488054 618156240 /nfs/dbraw/zinc/15/62/40/618156240.db2.gz SRCNXOMYHSQNLE-ZSHCYNCHSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)C[C@H]1C[N@H+](C)CCN1C[C@@H]1CCCC[NH+]1C(C)C ZINC000933252514 618177043 /nfs/dbraw/zinc/17/70/43/618177043.db2.gz XLBHVUITNKADRC-ROUUACIJSA-N 2 0 295.515 2.911 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[C@@H](C)O ZINC000926525020 618180026 /nfs/dbraw/zinc/18/00/26/618180026.db2.gz IBZDROWZDGXYGD-ZENOOKHLSA-N 2 0 264.413 2.558 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(C[NH+](C)C)c1 ZINC000926536622 618187223 /nfs/dbraw/zinc/18/72/23/618187223.db2.gz ANBCTBCDWZLNGD-JCGIZDLHSA-N 2 0 290.451 2.950 20 0 CFADRP C[N@H+](Cc1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000091844685 618202593 /nfs/dbraw/zinc/20/25/93/618202593.db2.gz BFEAVROCRPMHRA-UHFFFAOYSA-N 2 0 254.324 2.667 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)C12CCC2 ZINC000308399981 618208418 /nfs/dbraw/zinc/20/84/18/618208418.db2.gz VTFWTQOSMWNKBR-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCc2nccs2)C[C@@H]([NH3+])C1 ZINC000925570148 618251663 /nfs/dbraw/zinc/25/16/63/618251663.db2.gz VXDNVTCTGMIEFE-NEPJUHHUSA-N 2 0 267.442 2.571 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925573997 618255333 /nfs/dbraw/zinc/25/53/33/618255333.db2.gz QYLXLXHCEVHVFQ-KURKYZTESA-N 2 0 293.499 2.619 20 0 CFADRP CCCCCC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186590363 618260830 /nfs/dbraw/zinc/26/08/30/618260830.db2.gz WGNMJCJUOVTNEA-SJORKVTESA-N 2 0 283.504 2.961 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(Cc2ccccc2OCC(F)F)C1 ZINC000894021390 618272834 /nfs/dbraw/zinc/27/28/34/618272834.db2.gz RKEXAMWOQGCFOC-ZDUSSCGKSA-N 2 0 298.377 2.714 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc2cccnc12 ZINC000262125279 618294483 /nfs/dbraw/zinc/29/44/83/618294483.db2.gz XPYRRNZFKVVUTQ-SFHVURJKSA-N 2 0 281.403 2.729 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(Cc2ccoc2)c2ccccn2)CC1 ZINC000895112132 618312957 /nfs/dbraw/zinc/31/29/57/618312957.db2.gz VJBVPHVXLIKMQA-SHTZXODSSA-N 2 0 271.364 2.951 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCO1 ZINC000925613222 618313297 /nfs/dbraw/zinc/31/32/97/618313297.db2.gz BERQDVXOVCJDJT-BDXSIMOUSA-N 2 0 294.483 2.948 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)C12CCC2 ZINC000925616325 618321640 /nfs/dbraw/zinc/32/16/40/618321640.db2.gz QXUSSGPFQUNUIR-WCXIOVBPSA-N 2 0 286.419 2.624 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C[C@@H]([NH3+])C1 ZINC000925618489 618328223 /nfs/dbraw/zinc/32/82/23/618328223.db2.gz USLUVQIQCCJXPG-CVEARBPZSA-N 2 0 274.408 2.712 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925621618 618337179 /nfs/dbraw/zinc/33/71/79/618337179.db2.gz FRSLOVPJGOYSPY-BZSNNMDCSA-N 2 0 296.499 2.932 20 0 CFADRP CC1(O)CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925621815 618338715 /nfs/dbraw/zinc/33/87/15/618338715.db2.gz GXCUYWAKJPALLI-AQFXKWCLSA-N 2 0 276.424 2.750 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2c(F)cc(F)c(F)c2F)CC1 ZINC000894117541 618351324 /nfs/dbraw/zinc/35/13/24/618351324.db2.gz RRBPBCBFISZKBB-UHFFFAOYSA-N 2 0 290.304 2.674 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925629552 618358145 /nfs/dbraw/zinc/35/81/45/618358145.db2.gz ODTUUYVEBYJXJS-OWCLPIDISA-N 2 0 280.456 2.844 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000926652075 618360291 /nfs/dbraw/zinc/36/02/91/618360291.db2.gz VPXZULYQZSTDKO-AEBFUODCSA-N 2 0 274.811 2.621 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925632850 618363310 /nfs/dbraw/zinc/36/33/10/618363310.db2.gz BQHVKQLMWCGDPY-DLBZAZTESA-N 2 0 282.472 2.950 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccccc1 ZINC000925634751 618368013 /nfs/dbraw/zinc/36/80/13/618368013.db2.gz KTWCQNOIAVTGKV-IBGZPJMESA-N 2 0 298.430 2.791 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925634673 618368434 /nfs/dbraw/zinc/36/84/34/618368434.db2.gz JTGKTDDNSOBMEZ-DDWPSWQVSA-N 2 0 292.398 2.761 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccccc1 ZINC000925640205 618376649 /nfs/dbraw/zinc/37/66/49/618376649.db2.gz GUUBDXPHFFZMPE-HOTGVXAUSA-N 2 0 288.391 2.773 20 0 CFADRP Cc1ccccc1C[C@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261729344 618388927 /nfs/dbraw/zinc/38/89/27/618388927.db2.gz HAXZEUVJEBOUHH-DOTOQJQBSA-N 2 0 260.425 2.857 20 0 CFADRP CCOC1CC(CC[NH2+][C@H](c2ccccc2)[C@@H](C)N)C1 ZINC000925649829 618400321 /nfs/dbraw/zinc/40/03/21/618400321.db2.gz PCNFMEXLGRGZMB-LYSZQXJVSA-N 2 0 276.424 2.870 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925657172 618412634 /nfs/dbraw/zinc/41/26/34/618412634.db2.gz CNVQTUXYSJUBNB-BZUAXINKSA-N 2 0 274.408 2.624 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000925665352 618431150 /nfs/dbraw/zinc/43/11/50/618431150.db2.gz DMYTXYTZRZYWTK-LYHPXFHOSA-N 2 0 294.483 2.946 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C[C@@H](C)O1 ZINC000925665575 618431959 /nfs/dbraw/zinc/43/19/59/618431959.db2.gz LNOFTNBMBDTHLG-IIAWOOMASA-N 2 0 280.456 2.844 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925670385 618437878 /nfs/dbraw/zinc/43/78/78/618437878.db2.gz JLHVYYBRLMSCPJ-BHYGNILZSA-N 2 0 275.440 2.539 20 0 CFADRP COc1ccncc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925671972 618442768 /nfs/dbraw/zinc/44/27/68/618442768.db2.gz GQYYOLMHZWPJPL-INIZCTEOSA-N 2 0 285.391 2.660 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894202646 618444116 /nfs/dbraw/zinc/44/41/16/618444116.db2.gz ZVGZJSRHSRVHQC-INIZCTEOSA-N 2 0 290.455 2.772 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924561036 618465883 /nfs/dbraw/zinc/46/58/83/618465883.db2.gz SVCVDPXPLJBSSD-CRAIPNDOSA-N 2 0 289.467 2.883 20 0 CFADRP Cc1ccc(CC[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000895209105 618472808 /nfs/dbraw/zinc/47/28/08/618472808.db2.gz QEJNSLMYXVDDBN-CALCHBBNSA-N 2 0 260.425 2.776 20 0 CFADRP C[C@H](C[NH2+]CC[C@H](C)[NH+](C)C)c1ccc(F)cc1 ZINC000895292453 618515123 /nfs/dbraw/zinc/51/51/23/618515123.db2.gz BYBJZRLIYDNGAV-OLZOCXBDSA-N 2 0 252.377 2.859 20 0 CFADRP C[C@H](CCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000895296278 618518178 /nfs/dbraw/zinc/51/81/78/618518178.db2.gz FEESCYOYJMIMBE-RYRKJORJSA-N 2 0 289.467 2.752 20 0 CFADRP C[C@@H](CC[NH2+]C/C=C/c1ccc(F)cc1)[NH+](C)C ZINC000895296340 618518277 /nfs/dbraw/zinc/51/82/77/618518277.db2.gz GWDXFPDZICFASK-IHVVCDCBSA-N 2 0 250.361 2.769 20 0 CFADRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)nc1 ZINC000892583644 618642475 /nfs/dbraw/zinc/64/24/75/618642475.db2.gz CWBFMPXEBNESMX-HNNXBMFYSA-N 2 0 291.439 2.834 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nccn1C1CC1 ZINC000892584296 618642752 /nfs/dbraw/zinc/64/27/52/618642752.db2.gz IMULCWRTLGDWNL-HNNXBMFYSA-N 2 0 290.455 2.962 20 0 CFADRP COCCCC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000892606909 618651833 /nfs/dbraw/zinc/65/18/33/618651833.db2.gz GNTRISCQLRTXJT-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000892622480 618658574 /nfs/dbraw/zinc/65/85/74/618658574.db2.gz QJOZBWVAVUPTMR-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000924580053 618660537 /nfs/dbraw/zinc/66/05/37/618660537.db2.gz SQAQENNOEPJRDV-SFHVURJKSA-N 2 0 294.483 2.903 20 0 CFADRP COC1CCC(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000892633790 618664957 /nfs/dbraw/zinc/66/49/57/618664957.db2.gz YNSQOBJWMOSTFO-KLAILNCOSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000832328318 625282424 /nfs/dbraw/zinc/28/24/24/625282424.db2.gz FAEFZXOKJLIXPN-UHFFFAOYSA-N 2 0 295.515 2.915 20 0 CFADRP C[C@@H](COc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892659023 618679265 /nfs/dbraw/zinc/67/92/65/618679265.db2.gz YMJJKNQHSJDHHN-WWTUQBGBSA-N 2 0 292.398 2.808 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000309623521 618738110 /nfs/dbraw/zinc/73/81/10/618738110.db2.gz PQGKWJPXAMKHMQ-SNVBAGLBSA-N 2 0 265.228 2.643 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000311925682 618763348 /nfs/dbraw/zinc/76/33/48/618763348.db2.gz CKKNLLJTZLTPJE-NSHDSACASA-N 2 0 272.314 2.876 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000311925681 618763438 /nfs/dbraw/zinc/76/34/38/618763438.db2.gz CKKNLLJTZLTPJE-LLVKDONJSA-N 2 0 272.314 2.876 20 0 CFADRP C[C@H](Cc1ccco1)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924609002 618766543 /nfs/dbraw/zinc/76/65/43/618766543.db2.gz IYORNRXUMOJBJS-VNQPRFMTSA-N 2 0 262.397 2.817 20 0 CFADRP CCCSC[C@H](C)[NH2+]CC1CC[NH+](CC)CC1 ZINC000892939531 618774366 /nfs/dbraw/zinc/77/43/66/618774366.db2.gz RNGVCMGJFCZCPR-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000893065757 618818777 /nfs/dbraw/zinc/81/87/77/618818777.db2.gz BJTSNXHMBKSKGI-UHFFFAOYSA-N 2 0 281.469 2.972 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CC2CCC(OC)CC2)CC1 ZINC000893068485 618820537 /nfs/dbraw/zinc/82/05/37/618820537.db2.gz QKVBHPVLHZGHCQ-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccccc1CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925508128 618837068 /nfs/dbraw/zinc/83/70/68/618837068.db2.gz YMZPAUZCXVVXDO-PVAVHDDUSA-N 2 0 288.435 2.604 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925510458 618848579 /nfs/dbraw/zinc/84/85/79/618848579.db2.gz WZFLHEVIHINVPZ-ZBFHGGJFSA-N 2 0 258.409 2.973 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925514232 618852674 /nfs/dbraw/zinc/85/26/74/618852674.db2.gz MSPZQLAHSVDKCF-WCXIOVBPSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925516660 618855669 /nfs/dbraw/zinc/85/56/69/618855669.db2.gz SMLNBSDJXPZKPN-UGFHNGPFSA-N 2 0 294.826 2.967 20 0 CFADRP CCN(CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1 ZINC000925520617 618859099 /nfs/dbraw/zinc/85/90/99/618859099.db2.gz RZORZZNVAUZMHM-SJORKVTESA-N 2 0 287.451 2.763 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)[nH]1 ZINC000930541404 618859665 /nfs/dbraw/zinc/85/96/65/618859665.db2.gz XTOGBLSODUOUBC-NEPJUHHUSA-N 2 0 255.312 2.504 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCc2ccccc2)C12CCC2 ZINC000925524388 618867555 /nfs/dbraw/zinc/86/75/55/618867555.db2.gz SNLNRAFVJXQLLB-JKSUJKDBSA-N 2 0 258.409 2.869 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925525439 618869623 /nfs/dbraw/zinc/86/96/23/618869623.db2.gz CTNMVCAYSHGMMV-LVQVYYBASA-N 2 0 282.472 2.804 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925525440 618869669 /nfs/dbraw/zinc/86/96/69/618869669.db2.gz CTNMVCAYSHGMMV-UGUYLWEFSA-N 2 0 282.472 2.804 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000925525855 618870859 /nfs/dbraw/zinc/87/08/59/618870859.db2.gz JQDXMMZUKGYPRK-WBVHZDCISA-N 2 0 275.440 2.541 20 0 CFADRP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000930613255 618890633 /nfs/dbraw/zinc/89/06/33/618890633.db2.gz DVAPBBSACPIWBA-OFLPRAFFSA-N 2 0 294.483 2.638 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C12CCC2 ZINC000925544213 618904461 /nfs/dbraw/zinc/90/44/61/618904461.db2.gz YUDPBNSZTRHVAJ-FVQBIDKESA-N 2 0 272.392 2.760 20 0 CFADRP C[C@@H]1CCCN(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925550992 618912103 /nfs/dbraw/zinc/91/21/03/618912103.db2.gz OVVULHXVCMBYDK-AEFFLSMTSA-N 2 0 289.467 2.788 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@@H]1CCCS1 ZINC000925553495 618916083 /nfs/dbraw/zinc/91/60/83/618916083.db2.gz SVIMIJZHBVJUBW-RRFJBIMHSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925554040 618917896 /nfs/dbraw/zinc/91/78/96/618917896.db2.gz VHWUQCXYDXDWKP-IRXDYDNUSA-N 3 0 293.499 2.905 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925563695 618927392 /nfs/dbraw/zinc/92/73/92/618927392.db2.gz VEAQYOLINCRVKW-RDBSUJKOSA-N 2 0 264.438 2.923 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)[C@@H](C)O1 ZINC000925694170 618940926 /nfs/dbraw/zinc/94/09/26/618940926.db2.gz FDNRLUUBLSCQKF-SRABZTEZSA-N 2 0 276.424 2.870 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925695444 618945360 /nfs/dbraw/zinc/94/53/60/618945360.db2.gz RINFDAKLPXEOKJ-BMFZPTHFSA-N 2 0 273.424 2.652 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925698796 618952283 /nfs/dbraw/zinc/95/22/83/618952283.db2.gz HFTGZUHUBNIGEW-JFIYKMOQSA-N 3 0 289.467 2.821 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925701323 618954498 /nfs/dbraw/zinc/95/44/98/618954498.db2.gz XQAKXBNTBXDNKW-LAQRGFTBSA-N 3 0 293.499 2.509 20 0 CFADRP C[C@@H]([NH2+]CCCCCCO)c1cccc(C[NH+](C)C)c1 ZINC000925701239 618954528 /nfs/dbraw/zinc/95/45/28/618954528.db2.gz WBTYIXMAKIIHIW-OAHLLOKOSA-N 2 0 278.440 2.952 20 0 CFADRP ClC1(Cl)C[C@H]1CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925702593 618955915 /nfs/dbraw/zinc/95/59/15/618955915.db2.gz OSACMYJNDUHFBM-MNOVXSKESA-N 2 0 277.239 2.835 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925704341 618958355 /nfs/dbraw/zinc/95/83/55/618958355.db2.gz GJIMEGQPPLJCFM-RRFJBIMHSA-N 2 0 268.445 2.687 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925706567 618961449 /nfs/dbraw/zinc/96/14/49/618961449.db2.gz LSPWGTODJWVONK-KBPBESRZSA-N 2 0 290.455 2.683 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000925708387 618962813 /nfs/dbraw/zinc/96/28/13/618962813.db2.gz LJDIQMOUUADCKK-KBYGQNSWSA-N 2 0 262.441 2.918 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710742 618964612 /nfs/dbraw/zinc/96/46/12/618964612.db2.gz QQTUZACZSWDFQW-YUDUXTHKSA-N 2 0 262.441 2.789 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925711896 618966072 /nfs/dbraw/zinc/96/60/72/618966072.db2.gz FLJLKKFYCLKVON-RDBSUJKOSA-N 2 0 270.461 2.933 20 0 CFADRP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925713007 618967504 /nfs/dbraw/zinc/96/75/04/618967504.db2.gz RJDFWGRSRNCHLM-ATGSNQNLSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@@]1(F)Cl ZINC000925713833 618968118 /nfs/dbraw/zinc/96/81/18/618968118.db2.gz UVYKJJOLBHJZGJ-DCQANWLSSA-N 2 0 260.784 2.551 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[C@]1(F)Cl ZINC000925713834 618968127 /nfs/dbraw/zinc/96/81/27/618968127.db2.gz UVYKJJOLBHJZGJ-HNCHTBHHSA-N 2 0 260.784 2.551 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2)C1CCCCC1 ZINC000925715276 618971826 /nfs/dbraw/zinc/97/18/26/618971826.db2.gz FRCTXQRZISNVSG-ZUOZUFPHSA-N 2 0 280.456 2.545 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2nsc3ccccc32)C12CCC2 ZINC000925715773 618973328 /nfs/dbraw/zinc/97/33/28/618973328.db2.gz MAEDTAIHHFVGAK-HUUCEWRRSA-N 2 0 287.432 2.698 20 0 CFADRP CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925722034 618981987 /nfs/dbraw/zinc/98/19/87/618981987.db2.gz SKWRUOODMMSTDH-JKJDWNRSSA-N 2 0 280.456 2.545 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCSCCC(F)(F)F)C12CCC2 ZINC000925734139 619043780 /nfs/dbraw/zinc/04/37/80/619043780.db2.gz NWDRPQMLYRUMGY-NXEZZACHSA-N 2 0 282.375 2.532 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C12CCC2 ZINC000925734149 619043854 /nfs/dbraw/zinc/04/38/54/619043854.db2.gz NZWBXQZAZFCGPB-LOWDOPEQSA-N 2 0 288.357 2.991 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cnn1C(C)C ZINC000925736489 619045985 /nfs/dbraw/zinc/04/59/85/619045985.db2.gz AJYPNHCZMLIERU-LLVKDONJSA-N 2 0 252.406 2.550 20 0 CFADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1 ZINC000925738353 619048927 /nfs/dbraw/zinc/04/89/27/619048927.db2.gz QKSYZZZYULIGDO-ZIAGYGMSSA-N 2 0 284.444 2.606 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)CCCc2cccnc2)CC1 ZINC000925757476 619067309 /nfs/dbraw/zinc/06/73/09/619067309.db2.gz HLQQJLPTUSJXJA-OAHLLOKOSA-N 2 0 275.440 2.996 20 0 CFADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000893554535 619069336 /nfs/dbraw/zinc/06/93/36/619069336.db2.gz XDLNXHHOVPGSDZ-GJZGRUSLSA-N 2 0 298.471 2.674 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000094010237 619072164 /nfs/dbraw/zinc/07/21/64/619072164.db2.gz NXEOGGKFCBHRQG-SNVBAGLBSA-N 2 0 254.324 2.615 20 0 CFADRP CCc1ccc(CC[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000258648439 619077398 /nfs/dbraw/zinc/07/73/98/619077398.db2.gz APERQNFJHFPRDI-UHFFFAOYSA-N 2 0 260.425 2.993 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000925772586 619088050 /nfs/dbraw/zinc/08/80/50/619088050.db2.gz IVQJYXNRFORBHZ-XYPHTWIQSA-N 2 0 289.423 2.601 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[NH2+]C2(C)C)CCCCC1 ZINC000925777264 619098274 /nfs/dbraw/zinc/09/82/74/619098274.db2.gz LFKIFTQOKVUEJE-LBPRGKRZSA-N 2 0 256.459 2.782 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000925777256 619098795 /nfs/dbraw/zinc/09/87/95/619098795.db2.gz CWOIYKGPAIZWJJ-DUTNFGBUSA-N 2 0 284.394 2.646 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000925777879 619099017 /nfs/dbraw/zinc/09/90/17/619099017.db2.gz HTCHEKIATKEBGD-OCCSQVGLSA-N 2 0 266.335 2.508 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925782381 619104543 /nfs/dbraw/zinc/10/45/43/619104543.db2.gz LMCMWWZHRBHPRG-UPJWGTAASA-N 2 0 260.372 2.790 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925788728 619113025 /nfs/dbraw/zinc/11/30/25/619113025.db2.gz BTZFBEVMTJTMQR-CTASWTNQSA-N 2 0 276.424 2.632 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)o1 ZINC000925797014 619119197 /nfs/dbraw/zinc/11/91/97/619119197.db2.gz MTXKPLYQPDNGPX-MPKXVKKWSA-N 2 0 250.386 2.793 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000925802409 619122895 /nfs/dbraw/zinc/12/28/95/619122895.db2.gz GBHAOSALUYNJCC-KBUPBQIOSA-N 2 0 256.409 2.740 20 0 CFADRP [NH3+]C1CCC([NH2+]CCC2(c3ccccc3)CC2)CC1 ZINC000925804460 619124956 /nfs/dbraw/zinc/12/49/56/619124956.db2.gz IAHMYGQNUIZCCL-UHFFFAOYSA-N 2 0 258.409 2.968 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc3ncccc3c2)C1 ZINC000925815762 619134370 /nfs/dbraw/zinc/13/43/70/619134370.db2.gz ZITVVVCRYSJACA-JKSUJKDBSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2sccc21 ZINC000925816084 619134987 /nfs/dbraw/zinc/13/49/87/619134987.db2.gz DNCPDOHGKCDGCT-SWLSCSKDSA-N 2 0 293.480 2.699 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925816707 619135739 /nfs/dbraw/zinc/13/57/39/619135739.db2.gz JFOIEFFWUZMCEW-AWEZNQCLSA-N 2 0 292.471 2.939 20 0 CFADRP CC(C)[N@H+](C)CCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000054110731 619136561 /nfs/dbraw/zinc/13/65/61/619136561.db2.gz PZSRPLFKGKFCOB-UHFFFAOYSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822164 619141855 /nfs/dbraw/zinc/14/18/55/619141855.db2.gz JDTSQPUUAYUUDQ-PBHCIXSXSA-N 3 0 293.499 2.761 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925824383 619145685 /nfs/dbraw/zinc/14/56/85/619145685.db2.gz SHTBPSAPUXQYAG-SOEBMCCKSA-N 3 0 279.472 2.501 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000925824381 619145734 /nfs/dbraw/zinc/14/57/34/619145734.db2.gz SHTBPSAPUXQYAG-ORBLRFAASA-N 3 0 279.472 2.501 20 0 CFADRP C[C@@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(F)c1 ZINC000925824591 619146121 /nfs/dbraw/zinc/14/61/21/619146121.db2.gz ZFKWERPMGFSENK-HLLBOEOZSA-N 2 0 294.414 2.529 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925824948 619146896 /nfs/dbraw/zinc/14/68/96/619146896.db2.gz XECAMGCYNLCKPK-VUROTCPHSA-N 3 0 291.483 2.643 20 0 CFADRP C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893686097 619156695 /nfs/dbraw/zinc/15/66/95/619156695.db2.gz WGIFKLSDGPRBLL-DGCLKSJQSA-N 2 0 278.362 2.991 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893686087 619156776 /nfs/dbraw/zinc/15/67/76/619156776.db2.gz WFVRKTYUQLYWIP-QHEDDYRISA-N 2 0 280.456 2.795 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925828861 619159481 /nfs/dbraw/zinc/15/94/81/619159481.db2.gz JALGBIQXQIBRNZ-VOAKCMCISA-N 2 0 294.361 2.607 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cnc3ccccc3c2)C12CCC2 ZINC000925832924 619164189 /nfs/dbraw/zinc/16/41/89/619164189.db2.gz OYKUASINFTUWBH-IAGOWNOFSA-N 2 0 281.403 2.637 20 0 CFADRP Cc1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(C)c1 ZINC000925832816 619164205 /nfs/dbraw/zinc/16/42/05/619164205.db2.gz FFGAAKOIEDKNHH-KGLIPLIRSA-N 2 0 261.413 2.694 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925834193 619165417 /nfs/dbraw/zinc/16/54/17/619165417.db2.gz XBUJWGKVZQNKBX-IGQOVBAYSA-N 2 0 290.373 2.943 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000261552013 619169771 /nfs/dbraw/zinc/16/97/71/619169771.db2.gz ZNAXXFIGUQWKQU-GXTWGEPZSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H]1CC[NH2+]C1 ZINC000925840283 619173232 /nfs/dbraw/zinc/17/32/32/619173232.db2.gz VDELUWUQEXLHAP-FAAHXZRKSA-N 2 0 280.362 2.623 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000261597251 619174086 /nfs/dbraw/zinc/17/40/86/619174086.db2.gz OWPQYRYCLJZIBU-MFKMUULPSA-N 2 0 272.314 2.793 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000925841055 619174735 /nfs/dbraw/zinc/17/47/35/619174735.db2.gz YSATZTSFMDNLFV-GJZGRUSLSA-N 2 0 287.407 2.786 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842011 619175238 /nfs/dbraw/zinc/17/52/38/619175238.db2.gz WIMONWRWXLOXGG-DZOHQFGASA-N 2 0 288.435 2.884 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842012 619175324 /nfs/dbraw/zinc/17/53/24/619175324.db2.gz WIMONWRWXLOXGG-NRSFXHEJSA-N 2 0 288.435 2.884 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261619056 619178961 /nfs/dbraw/zinc/17/89/61/619178961.db2.gz UIWOCCWACZGTOV-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261636958 619182779 /nfs/dbraw/zinc/18/27/79/619182779.db2.gz WNZLXIYQDROMPD-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261648762 619185744 /nfs/dbraw/zinc/18/57/44/619185744.db2.gz RAWVOVCKBYAIQP-TWMKSMIVSA-N 2 0 280.456 2.846 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000925861642 619188088 /nfs/dbraw/zinc/18/80/88/619188088.db2.gz RKSGMKKDFHFKKQ-SOEBMCCKSA-N 3 0 279.472 2.501 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@H](C)CCCC[NH3+])c(F)c1 ZINC000925873771 619194977 /nfs/dbraw/zinc/19/49/77/619194977.db2.gz DEECVPYBUFQUIK-LLVKDONJSA-N 2 0 256.340 2.880 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCSc3ccccc32)C1 ZINC000925877542 619197861 /nfs/dbraw/zinc/19/78/61/619197861.db2.gz RVPFKOUEPRFYIJ-SCRDCRAPSA-N 2 0 262.422 2.941 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925882264 619202265 /nfs/dbraw/zinc/20/22/65/619202265.db2.gz JSBDKTXAGJEFAK-MXWKQRLJSA-N 2 0 254.399 2.535 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000925881974 619202334 /nfs/dbraw/zinc/20/23/34/619202334.db2.gz IBNKDBNSGCYMMU-ZENOOKHLSA-N 2 0 259.397 2.650 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000925887146 619204941 /nfs/dbraw/zinc/20/49/41/619204941.db2.gz SQJDXTMZVZIOEA-HRCADAONSA-N 2 0 276.449 2.531 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925894274 619208481 /nfs/dbraw/zinc/20/84/81/619208481.db2.gz VWPQGIXUDWAYJU-PMPSAXMXSA-N 2 0 280.456 2.989 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000924957640 619302583 /nfs/dbraw/zinc/30/25/83/619302583.db2.gz DGFJTSKNFKKNEX-YOEHRIQHSA-N 2 0 287.451 2.636 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000924960406 619303691 /nfs/dbraw/zinc/30/36/91/619303691.db2.gz QLZJBPULPPMKKK-SQNIBIBYSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924964160 619306512 /nfs/dbraw/zinc/30/65/12/619306512.db2.gz JKPCGYAGIPENIC-CVEARBPZSA-N 2 0 283.504 2.529 20 0 CFADRP c1ccc(CSCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000261978967 619358352 /nfs/dbraw/zinc/35/83/52/619358352.db2.gz IYYGTDZUGZYEHG-UHFFFAOYSA-N 2 0 290.476 2.995 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(C)CCOC2)CC1 ZINC000925053720 619360312 /nfs/dbraw/zinc/36/03/12/619360312.db2.gz JYLFCPPQIIPOFS-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP COC1CCC(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)CC1 ZINC000894495874 619402678 /nfs/dbraw/zinc/40/26/78/619402678.db2.gz MILDGKBBZYUYMQ-XGHPGWEVSA-N 2 0 280.456 2.608 20 0 CFADRP C[NH+]1CCC(C[NH+]2CCC(C)(C3CC3)CC2)CC1 ZINC000894547821 619417400 /nfs/dbraw/zinc/41/74/00/619417400.db2.gz VJFMOKXCCUPBJB-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP c1cn(C2CC2)c(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000894626203 619432089 /nfs/dbraw/zinc/43/20/89/619432089.db2.gz OFIWKFJNVHPTRZ-UHFFFAOYSA-N 2 0 276.428 2.574 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H]2C)CC1 ZINC000894643264 619434905 /nfs/dbraw/zinc/43/49/05/619434905.db2.gz WAJWPSQRPMTBBN-WBVHZDCISA-N 2 0 282.472 2.638 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000894794507 619468014 /nfs/dbraw/zinc/46/80/14/619468014.db2.gz RXVOUOBOZLWMBK-ZDUSSCGKSA-N 2 0 294.414 2.697 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000894801373 619469888 /nfs/dbraw/zinc/46/98/88/619469888.db2.gz IAPXNHSJKWEOCQ-OAHLLOKOSA-N 2 0 296.480 2.739 20 0 CFADRP C[C@@H]1CC2(CC([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C2)CO1 ZINC000925086753 619479349 /nfs/dbraw/zinc/47/93/49/619479349.db2.gz RZIAJRHSZAKZED-GJEMEMOUSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000894861933 619487841 /nfs/dbraw/zinc/48/78/41/619487841.db2.gz ZABCJOLKHBRLDZ-CQSZACIVSA-N 2 0 282.378 2.829 20 0 CFADRP C[NH+]1CCC(C[NH+]2CC(C)(c3ccccc3)C2)CC1 ZINC000895514558 619545365 /nfs/dbraw/zinc/54/53/65/619545365.db2.gz VKSFRVUKYVMTEM-UHFFFAOYSA-N 2 0 258.409 2.602 20 0 CFADRP CC[C@@](C)(C[N@H+](C)CCCC[NH+]1CCCCC1)OC ZINC000895682206 619585472 /nfs/dbraw/zinc/58/54/72/619585472.db2.gz CZQADBLHJGAOSJ-INIZCTEOSA-N 2 0 270.461 2.999 20 0 CFADRP COCC(C)(C)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895684016 619585916 /nfs/dbraw/zinc/58/59/16/619585916.db2.gz ZOPLRUZBECDMLK-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP Cc1ccc(O)c(C[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000895685740 619586150 /nfs/dbraw/zinc/58/61/50/619586150.db2.gz ODHKHAGDYICZPF-UHFFFAOYSA-N 2 0 291.439 2.794 20 0 CFADRP C[C@@H]1Cc2cc(CN3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)ccc2O1 ZINC000895843302 619617653 /nfs/dbraw/zinc/61/76/53/619617653.db2.gz OXVFNVATSJIIGH-UKPHBRMFSA-N 2 0 286.419 2.536 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000895939406 619640199 /nfs/dbraw/zinc/64/01/99/619640199.db2.gz SRCSDNPLXQWKSP-KRWDZBQOSA-N 2 0 292.398 2.621 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000896031522 619657245 /nfs/dbraw/zinc/65/72/45/619657245.db2.gz RMXDTBDNHWGXPB-SJORKVTESA-N 2 0 276.399 2.943 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC000896047611 619660238 /nfs/dbraw/zinc/66/02/38/619660238.db2.gz LWPLVXVLLBCVEF-KBPBESRZSA-N 2 0 290.373 2.993 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccnc1 ZINC000896717712 619797303 /nfs/dbraw/zinc/79/73/03/619797303.db2.gz WFIDAZFUFLHNFK-XLNGHYISSA-N 2 0 273.424 2.853 20 0 CFADRP C[N@@H+]1C[C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@]2(C)C1 ZINC000896914430 619884586 /nfs/dbraw/zinc/88/45/86/619884586.db2.gz GCHSPQAENQQSRH-DYVFJYSZSA-N 2 0 267.376 2.623 20 0 CFADRP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000896952015 619903472 /nfs/dbraw/zinc/90/34/72/619903472.db2.gz UNSGGMSJOZBHLX-UHFFFAOYSA-N 2 0 278.396 2.785 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)CC1 ZINC000897233258 619955767 /nfs/dbraw/zinc/95/57/67/619955767.db2.gz JMASMLFQOYRZSO-GOSISDBHSA-N 2 0 288.435 2.624 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925153370 619985001 /nfs/dbraw/zinc/98/50/01/619985001.db2.gz XRZKLBYKYDWUQN-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP [NH3+]CCC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000145652918 620027149 /nfs/dbraw/zinc/02/71/49/620027149.db2.gz VEXAEQCQKRMMDV-GFCCVEGCSA-N 2 0 272.314 2.844 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)CC1(C)C ZINC000897442561 620172517 /nfs/dbraw/zinc/17/25/17/620172517.db2.gz YAOBGLVMDCATCR-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](O)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925283101 620186492 /nfs/dbraw/zinc/18/64/92/620186492.db2.gz RIBZNIXWDAXBKG-CJNGLKHVSA-N 2 0 264.413 2.560 20 0 CFADRP Cc1cccc2[nH]c(CN3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cc21 ZINC000897620017 620261605 /nfs/dbraw/zinc/26/16/05/620261605.db2.gz DEDXSFYDJFARFZ-KDOFPFPSSA-N 2 0 283.419 2.860 20 0 CFADRP Cc1ccc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C ZINC000897620719 620262270 /nfs/dbraw/zinc/26/22/70/620262270.db2.gz XFVKVEKOCOFQER-MSOLQXFVSA-N 2 0 272.436 2.729 20 0 CFADRP CCCCn1nc(C)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1Cl ZINC000841036506 620299660 /nfs/dbraw/zinc/29/96/60/620299660.db2.gz PGEXYQFBMMWUQR-CYBMUJFWSA-N 2 0 298.862 2.734 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000897952725 620309866 /nfs/dbraw/zinc/30/98/66/620309866.db2.gz JPPSKGLDVAAHGK-RYQLBKOJSA-N 2 0 288.435 2.905 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc[nH+]1 ZINC000897957991 620311630 /nfs/dbraw/zinc/31/16/30/620311630.db2.gz GEJQBOXNDIWACP-IAOVAPTHSA-N 2 0 271.408 2.829 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000897981642 620317934 /nfs/dbraw/zinc/31/79/34/620317934.db2.gz PJBTYVUNXMJZTC-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)C1CCCC1 ZINC000897982751 620318142 /nfs/dbraw/zinc/31/81/42/620318142.db2.gz QVEYLPHJAJRHEZ-QGZVFWFLSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000898112997 620335943 /nfs/dbraw/zinc/33/59/43/620335943.db2.gz XYWPBAXDVHFWCF-OAHLLOKOSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(CCO)cc2)CC1 ZINC000898171254 620343108 /nfs/dbraw/zinc/34/31/08/620343108.db2.gz UKAOMOXFJMDLLZ-UHFFFAOYSA-N 2 0 290.451 2.574 20 0 CFADRP Cc1ncccc1CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000898254638 620357821 /nfs/dbraw/zinc/35/78/21/620357821.db2.gz DYPXKDQWIHYQJV-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP C[C@@H]1CC=CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000898223797 620358199 /nfs/dbraw/zinc/35/81/99/620358199.db2.gz GIIMTGXDWPEPOB-RHSMWYFYSA-N 2 0 271.408 2.995 20 0 CFADRP CCON1CCC([NH2+][C@@H](C)CCC[NH+](CC)CC)CC1 ZINC000323145702 620404540 /nfs/dbraw/zinc/40/45/40/620404540.db2.gz ZYVPKHMHECIGOU-HNNXBMFYSA-N 2 0 285.476 2.502 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000866470346 620407838 /nfs/dbraw/zinc/40/78/38/620407838.db2.gz WEGBCBNQZIDLOL-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)CO)ccc1OC ZINC000183043507 625417474 /nfs/dbraw/zinc/41/74/74/625417474.db2.gz BHIDRRCOSIMROA-UONOGXRCSA-N 2 0 294.439 2.568 20 0 CFADRP CCCCC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770188 620419909 /nfs/dbraw/zinc/41/99/09/620419909.db2.gz SLPBJFWDOJQAPA-IAGOWNOFSA-N 2 0 283.504 2.817 20 0 CFADRP CCCCC[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770190 620419979 /nfs/dbraw/zinc/41/99/79/620419979.db2.gz SLPBJFWDOJQAPA-DLBZAZTESA-N 2 0 283.504 2.817 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)ccc2O1 ZINC000841056766 620422541 /nfs/dbraw/zinc/42/25/41/620422541.db2.gz JHCJEMLKADCJFE-GOSISDBHSA-N 2 0 288.435 2.879 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1COC[C@H]1C ZINC000924658238 620434600 /nfs/dbraw/zinc/43/46/00/620434600.db2.gz PBMWTLSZOWWYFC-RHSMWYFYSA-N 2 0 276.424 2.651 20 0 CFADRP CC[C@H]1C[C@H](C[N@H+](C)CCCCCC[NH3+])CCO1 ZINC000873231744 620437158 /nfs/dbraw/zinc/43/71/58/620437158.db2.gz VEBLHNJZJIXYIU-CABCVRRESA-N 2 0 256.434 2.643 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccnnc1 ZINC000924682251 620439283 /nfs/dbraw/zinc/43/92/83/620439283.db2.gz BSEMBYQSCPTTLZ-BZUAXINKSA-N 2 0 290.455 2.885 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000924688825 620441003 /nfs/dbraw/zinc/44/10/03/620441003.db2.gz VWGIONDDYPMMFV-WCVJEAGWSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cc[nH]c(=O)c1 ZINC000927039684 620445360 /nfs/dbraw/zinc/44/53/60/620445360.db2.gz VQKARSXMKSZZMH-KTAKPFMOSA-N 2 0 289.423 2.845 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000927038316 620445427 /nfs/dbraw/zinc/44/54/27/620445427.db2.gz PMNPVNFERFEJSW-CKDBGZEDSA-N 2 0 288.439 2.715 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924708653 620448255 /nfs/dbraw/zinc/44/82/55/620448255.db2.gz YUUGUQQCDYJACH-RDJZCZTQSA-N 3 0 289.467 2.741 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCOC12CCCCC2)C[NH+]1CCCC1 ZINC000924715834 620451989 /nfs/dbraw/zinc/45/19/89/620451989.db2.gz NATRFZHLAAFLRN-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000924721291 620453810 /nfs/dbraw/zinc/45/38/10/620453810.db2.gz MVWOJAVEZCQAAY-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc(F)c2)[C@H](C)C1 ZINC000898444704 620465989 /nfs/dbraw/zinc/46/59/89/620465989.db2.gz KTWOJKABWKCOBV-RHSMWYFYSA-N 2 0 294.414 2.915 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCOc2cccc(F)c2)CC[N@@H+]1C ZINC000898444751 620466062 /nfs/dbraw/zinc/46/60/62/620466062.db2.gz LOXDMRPBANHFKE-ZFWWWQNUSA-N 2 0 280.387 2.667 20 0 CFADRP CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000924745046 620504597 /nfs/dbraw/zinc/50/45/97/620504597.db2.gz BDVYDPRSDXEMQK-QAPCUYQASA-N 2 0 289.467 2.883 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000924750642 620524166 /nfs/dbraw/zinc/52/41/66/620524166.db2.gz GTZBUKVALVZZSS-RHSMWYFYSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000899266318 620538040 /nfs/dbraw/zinc/53/80/40/620538040.db2.gz RJHOQWMHKLXBEP-UONOGXRCSA-N 2 0 280.460 2.553 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC000899321961 620543147 /nfs/dbraw/zinc/54/31/47/620543147.db2.gz BPQYZFHCRSCPFC-ZDUSSCGKSA-N 2 0 282.391 2.587 20 0 CFADRP C[NH+](C)CCOc1ccccc1-c1ccc2c(c1)C[NH2+]C2 ZINC000899323886 620543839 /nfs/dbraw/zinc/54/38/39/620543839.db2.gz JVVCBYHCIPWXNP-UHFFFAOYSA-N 2 0 282.387 2.897 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)cc1F ZINC000899323899 620543992 /nfs/dbraw/zinc/54/39/92/620543992.db2.gz VTSGBMODKPUJAE-ZUZCIYMTSA-N 2 0 270.351 2.938 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[NH+]2CCC(C)CC2)c1 ZINC000902068312 620967357 /nfs/dbraw/zinc/96/73/57/620967357.db2.gz RJIMWHDWWMMNLH-UHFFFAOYSA-N 2 0 278.444 2.505 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902078732 620969355 /nfs/dbraw/zinc/96/93/55/620969355.db2.gz NCYIYRADRDPUIG-HZPDHXFCSA-N 2 0 273.424 2.753 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000902078733 620969571 /nfs/dbraw/zinc/96/95/71/620969571.db2.gz NCYIYRADRDPUIG-JKSUJKDBSA-N 2 0 273.424 2.753 20 0 CFADRP COCCC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902320933 621024220 /nfs/dbraw/zinc/02/42/20/621024220.db2.gz SHRCOZSRVLYSPM-OAHLLOKOSA-N 2 0 286.366 2.761 20 0 CFADRP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000902301931 621026809 /nfs/dbraw/zinc/02/68/09/621026809.db2.gz NAGAYUFDUOMVFP-HZPDHXFCSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@@H](C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F)N(C)C ZINC000902315795 621031053 /nfs/dbraw/zinc/03/10/53/621031053.db2.gz DKCSJZLPUIFJKY-BLLLJJGKSA-N 2 0 299.409 2.675 20 0 CFADRP Cc1ccn2cc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)nc2c1 ZINC000902317164 621031567 /nfs/dbraw/zinc/03/15/67/621031567.db2.gz CZGBXLJEYPLJBQ-CQSZACIVSA-N 2 0 286.423 2.511 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902344936 621033297 /nfs/dbraw/zinc/03/32/97/621033297.db2.gz HAGOIDHTSWKRDL-KRWDZBQOSA-N 3 0 295.515 2.866 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc(Cl)nc2)C1 ZINC000902345839 621034364 /nfs/dbraw/zinc/03/43/64/621034364.db2.gz BDIWAACXFIZGSY-CYBMUJFWSA-N 2 0 281.831 2.645 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902348289 621035304 /nfs/dbraw/zinc/03/53/04/621035304.db2.gz YQEUBZLNBDHYAK-BRWVUGGUSA-N 2 0 295.515 2.722 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccs1 ZINC000902327551 621037149 /nfs/dbraw/zinc/03/71/49/621037149.db2.gz DUXSPIXYZSXFEW-ZIAGYGMSSA-N 2 0 295.496 2.719 20 0 CFADRP C[NH+](C)C1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CCCCC1 ZINC000902326726 621037261 /nfs/dbraw/zinc/03/72/61/621037261.db2.gz DIUUXZMUEBHEDT-OAHLLOKOSA-N 2 0 281.488 2.619 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327661 621037313 /nfs/dbraw/zinc/03/73/13/621037313.db2.gz FZAZFWDABYMAOM-LSDHHAIUSA-N 3 0 283.504 2.721 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902328378 621037957 /nfs/dbraw/zinc/03/79/57/621037957.db2.gz JHMYYIUBHNHFJP-SMDDNHRTSA-N 2 0 279.428 2.590 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329691 621038259 /nfs/dbraw/zinc/03/82/59/621038259.db2.gz SLVBJFSOAMTKGX-CVEARBPZSA-N 2 0 281.488 2.619 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000902331632 621038852 /nfs/dbraw/zinc/03/88/52/621038852.db2.gz BYAAQDJUIYHESH-CQSZACIVSA-N 2 0 250.430 2.790 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCOCC1 ZINC000902332880 621039509 /nfs/dbraw/zinc/03/95/09/621039509.db2.gz GVBNZJKGXSDMFU-CABCVRRESA-N 2 0 268.445 2.559 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccsc1 ZINC000902334585 621040535 /nfs/dbraw/zinc/04/05/35/621040535.db2.gz QZSDZCRTWXXDQZ-CABCVRRESA-N 2 0 295.496 2.719 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)Oc1ccc(F)cc1 ZINC000902334064 621040562 /nfs/dbraw/zinc/04/05/62/621040562.db2.gz PQYGGTKMDFFXCK-HIFRSBDPSA-N 2 0 294.414 2.961 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)Oc1ccccc1F ZINC000902336130 621041287 /nfs/dbraw/zinc/04/12/87/621041287.db2.gz YPAOINBWSDUUQU-UONOGXRCSA-N 2 0 294.414 2.961 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2cc(F)cc(F)c2)C1 ZINC000902338515 621042209 /nfs/dbraw/zinc/04/22/09/621042209.db2.gz MLDFETIAOWTTIZ-HNNXBMFYSA-N 2 0 282.378 2.875 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000902372983 621045091 /nfs/dbraw/zinc/04/50/91/621045091.db2.gz UTAKCRLEMZJXGY-ILXRZTDVSA-N 2 0 282.472 2.948 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902373080 621045102 /nfs/dbraw/zinc/04/51/02/621045102.db2.gz WYTQKDIJADGESO-AWEZNQCLSA-N 2 0 280.387 2.702 20 0 CFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375837 621046285 /nfs/dbraw/zinc/04/62/85/621046285.db2.gz YNVORLHHGAKLBQ-LSDHHAIUSA-N 2 0 294.439 2.595 20 0 CFADRP C[C@@](O)(CC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902376056 621046598 /nfs/dbraw/zinc/04/65/98/621046598.db2.gz HPEKEQWBFIDIAF-SJLPKXTDSA-N 2 0 290.451 2.652 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000902352064 621048841 /nfs/dbraw/zinc/04/88/41/621048841.db2.gz JMCAZMCHBJGXMJ-AWEZNQCLSA-N 2 0 280.387 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000902405881 621055209 /nfs/dbraw/zinc/05/52/09/621055209.db2.gz QCYCLUKWBFVURU-HBNTYKKESA-N 2 0 264.335 2.553 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)C1 ZINC000902406288 621055083 /nfs/dbraw/zinc/05/50/83/621055083.db2.gz RDDWKGLRTRJJIC-QGZVFWFLSA-N 3 0 295.515 2.914 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2([NH3+])CC2)CC1 ZINC000902407803 621056199 /nfs/dbraw/zinc/05/61/99/621056199.db2.gz VBVXZPASIUQYDK-UHFFFAOYSA-N 2 0 281.488 2.747 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)C1 ZINC000902381084 621058290 /nfs/dbraw/zinc/05/82/90/621058290.db2.gz CPXFEZUYEQJLNF-JKSUJKDBSA-N 2 0 282.472 2.543 20 0 CFADRP Cc1csc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902387878 621061474 /nfs/dbraw/zinc/06/14/74/621061474.db2.gz MLRQCMRNAJAIMK-LBPRGKRZSA-N 2 0 252.427 2.924 20 0 CFADRP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902390483 621061839 /nfs/dbraw/zinc/06/18/39/621061839.db2.gz MPDKJXGNBQTZDJ-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP CC[NH2+][C@H](C)CN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902392255 621062678 /nfs/dbraw/zinc/06/26/78/621062678.db2.gz GGRHEQYWCLMLIQ-MLGOLLRUSA-N 2 0 299.409 2.723 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1C ZINC000902396837 621065299 /nfs/dbraw/zinc/06/52/99/621065299.db2.gz HDJBAPGVYPYSTQ-HNNXBMFYSA-N 2 0 276.424 2.871 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@H]2CCCS2)C1 ZINC000902398464 621065916 /nfs/dbraw/zinc/06/59/16/621065916.db2.gz PSRJMNJZUXOJKA-QWHCGFSZSA-N 2 0 256.459 2.640 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCOC1 ZINC000902402002 621068020 /nfs/dbraw/zinc/06/80/20/621068020.db2.gz HPBXPQSUZOHJEL-ILXRZTDVSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000902403503 621068835 /nfs/dbraw/zinc/06/88/35/621068835.db2.gz HPBGRFYSKVKQEE-YUELXQCFSA-N 2 0 262.397 2.924 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902416465 621071053 /nfs/dbraw/zinc/07/10/53/621071053.db2.gz ONODNONLWHBUPP-ZDUSSCGKSA-N 2 0 289.423 2.608 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000902428965 621075845 /nfs/dbraw/zinc/07/58/45/621075845.db2.gz IQJFSXNVKANAEC-SMDDNHRTSA-N 2 0 282.815 2.956 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])OC1 ZINC000902428966 621075975 /nfs/dbraw/zinc/07/59/75/621075975.db2.gz IQTOKTVAPOTXCY-KFWWJZLASA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000902432783 621077494 /nfs/dbraw/zinc/07/74/94/621077494.db2.gz PVEHYQYWFYDPOQ-HIFRSBDPSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902432153 621077505 /nfs/dbraw/zinc/07/75/05/621077505.db2.gz VNKFNYJRIMNWCL-NXOAAHMSSA-N 2 0 282.472 2.828 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000902432785 621077731 /nfs/dbraw/zinc/07/77/31/621077731.db2.gz PVEHYQYWFYDPOQ-ZFWWWQNUSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435868 621079103 /nfs/dbraw/zinc/07/91/03/621079103.db2.gz WICHDPMHMFKAJS-OXXUSNJHSA-N 2 0 287.451 2.512 20 0 CFADRP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000902442479 621081809 /nfs/dbraw/zinc/08/18/09/621081809.db2.gz IMYOTGMVGLIOBO-DCAQKATOSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000902475994 621087061 /nfs/dbraw/zinc/08/70/61/621087061.db2.gz LITPDGPWRPYTKP-GYFISPQKSA-N 2 0 299.462 2.522 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000902457405 621094734 /nfs/dbraw/zinc/09/47/34/621094734.db2.gz RQQPLPXXLCJQIQ-XQQFMLRXSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)O2)C1 ZINC000902462618 621096609 /nfs/dbraw/zinc/09/66/09/621096609.db2.gz WDRFKOAIMMJKNQ-MCIONIFRSA-N 2 0 268.445 2.830 20 0 CFADRP CNc1ccccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000902464152 621097799 /nfs/dbraw/zinc/09/77/99/621097799.db2.gz AMCPCHLZCXUOEE-UHFFFAOYSA-N 2 0 261.413 2.550 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464985 621098242 /nfs/dbraw/zinc/09/82/42/621098242.db2.gz GHPCNIYFVAVECU-CHWFTXMASA-N 2 0 250.308 2.590 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470990 621101680 /nfs/dbraw/zinc/10/16/80/621101680.db2.gz IKBNPJPQJUXGRQ-YLFCFFPRSA-N 2 0 276.399 2.875 20 0 CFADRP CC[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(C)ccc1OC ZINC000902491662 621102977 /nfs/dbraw/zinc/10/29/77/621102977.db2.gz YDNDJVYQPFRHRW-UMVBOHGHSA-N 2 0 262.397 2.782 20 0 CFADRP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000902481211 621109370 /nfs/dbraw/zinc/10/93/70/621109370.db2.gz BLDLYONLHMXECT-INIZCTEOSA-N 2 0 280.456 2.848 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1C ZINC000902484693 621111039 /nfs/dbraw/zinc/11/10/39/621111039.db2.gz GVYXWOXTMWWWNK-IHRRRGAJSA-N 2 0 262.397 2.700 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@H]1c1ccccc1 ZINC000902484734 621111093 /nfs/dbraw/zinc/11/10/93/621111093.db2.gz HAIAOYQOQOLFIA-QCEMKRCNSA-N 2 0 258.409 2.896 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1sccc1Br ZINC000902485557 621111406 /nfs/dbraw/zinc/11/14/06/621111406.db2.gz AJTFSCDMXBCVGB-IWSPIJDZSA-N 2 0 289.242 2.899 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000902486387 621111483 /nfs/dbraw/zinc/11/14/83/621111483.db2.gz GKHCSWWQBSPZED-SRCQZFHVSA-N 2 0 286.419 2.716 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000902486007 621111519 /nfs/dbraw/zinc/11/15/19/621111519.db2.gz DXBADXCZEOWMPW-VQHPVUNQSA-N 2 0 258.409 2.725 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000902486006 621111641 /nfs/dbraw/zinc/11/16/41/621111641.db2.gz DXBADXCZEOWMPW-QBPKDAKJSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2ccccc2n1 ZINC000902486390 621111939 /nfs/dbraw/zinc/11/19/39/621111939.db2.gz GKLRNUATWPDAFX-YRGRVCCFSA-N 2 0 255.365 2.623 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCOc1cccc(F)c1 ZINC000902516087 621114882 /nfs/dbraw/zinc/11/48/82/621114882.db2.gz BCDKDWIKWZMGAE-CYBMUJFWSA-N 2 0 268.376 2.702 20 0 CFADRP Fc1cccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902516396 621115236 /nfs/dbraw/zinc/11/52/36/621115236.db2.gz DGISRTGAFCSCCU-IJEWVQPXSA-N 2 0 292.398 2.572 20 0 CFADRP C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cnccc1N ZINC000902516385 621115266 /nfs/dbraw/zinc/11/52/66/621115266.db2.gz CXSSEHVJYZCIFF-QMTHXVAHSA-N 2 0 287.794 2.966 20 0 CFADRP CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902520829 621116383 /nfs/dbraw/zinc/11/63/83/621116383.db2.gz PMDOVHCCTFIFFC-FRRDWIJNSA-N 2 0 250.430 2.789 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000902526834 621117692 /nfs/dbraw/zinc/11/76/92/621117692.db2.gz AIFFCDFQYULBAY-GJZGRUSLSA-N 2 0 293.455 2.945 20 0 CFADRP CC[NH+](CC)CCOc1cccc(N[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000902527669 621117965 /nfs/dbraw/zinc/11/79/65/621117965.db2.gz LTPQQLBTUJQRAQ-IRXDYDNUSA-N 2 0 291.439 2.699 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2ccc(Cl)nc2)CC1 ZINC000042616393 621128493 /nfs/dbraw/zinc/12/84/93/621128493.db2.gz XCYMGIMUKGFSGU-UHFFFAOYSA-N 2 0 267.804 2.651 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902745613 621163868 /nfs/dbraw/zinc/16/38/68/621163868.db2.gz RNEPQINGVWVZJX-IRXDYDNUSA-N 2 0 293.499 2.572 20 0 CFADRP CC(C)C[C@H]([NH2+]CCCC[NH+](C)C)C1CCOCC1 ZINC000902780809 621172120 /nfs/dbraw/zinc/17/21/20/621172120.db2.gz TWSIFGDQBUKAEX-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902791903 621177861 /nfs/dbraw/zinc/17/78/61/621177861.db2.gz ZOHSKBSZKXTAPE-NNPSNHGLSA-N 2 0 292.467 2.512 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902885277 621199136 /nfs/dbraw/zinc/19/91/36/621199136.db2.gz YXCFICYHLSMQAB-XFSFBZAHSA-N 2 0 292.467 2.510 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902944282 621207509 /nfs/dbraw/zinc/20/75/09/621207509.db2.gz DUMVINMFWIHFAB-ZIAGYGMSSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902950755 621212578 /nfs/dbraw/zinc/21/25/78/621212578.db2.gz IMXXAFNKSWBYOP-MUJYYYPQSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000903017988 621222522 /nfs/dbraw/zinc/22/25/22/621222522.db2.gz VBHISQWXGWIROR-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000903057471 621236163 /nfs/dbraw/zinc/23/61/63/621236163.db2.gz CIRZUEGZBCLWKC-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000903083236 621246064 /nfs/dbraw/zinc/24/60/64/621246064.db2.gz CEGXUTNSGHKLHN-CQSZACIVSA-N 2 0 292.423 2.742 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2OC)c1 ZINC000903091405 621248967 /nfs/dbraw/zinc/24/89/67/621248967.db2.gz SYNVZTXPTLNERL-IRXDYDNUSA-N 2 0 276.424 2.795 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000903068845 621249447 /nfs/dbraw/zinc/24/94/47/621249447.db2.gz NXGIIONHRHMVIX-JKSUJKDBSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903102876 621254099 /nfs/dbraw/zinc/25/40/99/621254099.db2.gz BUPNZWNSSUDFKQ-YTTRVJOFSA-N 2 0 280.456 2.533 20 0 CFADRP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCOCC1 ZINC000903104611 621254594 /nfs/dbraw/zinc/25/45/94/621254594.db2.gz JOWXZDQUTMKDMN-ZXFUBFMLSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CCOCC1 ZINC000903112371 621259828 /nfs/dbraw/zinc/25/98/28/621259828.db2.gz OJZRIYMPHKRIIN-IICXIOTHSA-N 2 0 278.440 2.549 20 0 CFADRP CC(C)(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903127337 621262269 /nfs/dbraw/zinc/26/22/69/621262269.db2.gz XXPLLZIPYOPBNJ-XLQNHZQQSA-N 2 0 280.456 2.531 20 0 CFADRP CO[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903131622 621263678 /nfs/dbraw/zinc/26/36/78/621263678.db2.gz JJRRPSDMXLTBNF-PPHJYPGKSA-N 2 0 278.440 2.549 20 0 CFADRP c1ccc2c(c1)OC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171209 621273638 /nfs/dbraw/zinc/27/36/38/621273638.db2.gz FETMCLIELXHNEJ-YTTRVJOFSA-N 2 0 298.430 2.910 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCOC34CCCC4)ccc12 ZINC000903183734 621277846 /nfs/dbraw/zinc/27/78/46/621277846.db2.gz QGUCFDNUGKVKGQ-OAHLLOKOSA-N 2 0 271.364 2.526 20 0 CFADRP c1[nH+]cn2cc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)ccc12 ZINC000903184048 621277919 /nfs/dbraw/zinc/27/79/19/621277919.db2.gz SIJPMSLLLVCNQK-ZXFUBFMLSA-N 2 0 296.418 2.582 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCOC34CCCC4)ccc12 ZINC000903183732 621277968 /nfs/dbraw/zinc/27/79/68/621277968.db2.gz QGUCFDNUGKVKGQ-HNNXBMFYSA-N 2 0 271.364 2.526 20 0 CFADRP CO[C@](C)([C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903185724 621278949 /nfs/dbraw/zinc/27/89/49/621278949.db2.gz LHZWDEDHZMEKTG-GJLUPPFNSA-N 2 0 292.467 2.937 20 0 CFADRP C(C[C@@H]1CC[C@H]2C[C@H]21)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903168733 621279343 /nfs/dbraw/zinc/27/93/43/621279343.db2.gz OCORCLGZFVJSEI-ZOBUZTSGSA-N 2 0 262.441 2.887 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc3ncccc3c2)CC1 ZINC000903195520 621281337 /nfs/dbraw/zinc/28/13/37/621281337.db2.gz VLBGYUVVXBZTRQ-UHFFFAOYSA-N 2 0 283.419 2.851 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1C[C@H]2CCC[C@H]2O1 ZINC000903217184 621291249 /nfs/dbraw/zinc/29/12/49/621291249.db2.gz QWRNRMIZIJCRQN-BFSIUDHASA-N 2 0 290.451 2.691 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CC2(CCC2)CO1 ZINC000903220891 621292487 /nfs/dbraw/zinc/29/24/87/621292487.db2.gz NQFLQOCWUULFFP-YQAQFAQXSA-N 2 0 290.451 2.693 20 0 CFADRP C[C@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC000903230823 621297687 /nfs/dbraw/zinc/29/76/87/621297687.db2.gz FPGOYDXOBKENQK-ZDUSSCGKSA-N 2 0 299.418 2.760 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000903261477 621303300 /nfs/dbraw/zinc/30/33/00/621303300.db2.gz XFKHQOLFPACYJD-UMQBVGHOSA-N 2 0 292.467 2.941 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903307832 621326119 /nfs/dbraw/zinc/32/61/19/621326119.db2.gz LHBHZGNXSFNOBN-IAGOWNOFSA-N 2 0 288.435 2.512 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000903309465 621326490 /nfs/dbraw/zinc/32/64/90/621326490.db2.gz UQARCRVSBJVVPG-UHFFFAOYSA-N 2 0 290.451 2.758 20 0 CFADRP COc1ccccc1C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000903431159 621371807 /nfs/dbraw/zinc/37/18/07/621371807.db2.gz FTBISGOXVUROQD-HIFRSBDPSA-N 2 0 274.408 2.787 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000903431466 621372253 /nfs/dbraw/zinc/37/22/53/621372253.db2.gz VJUMBZNEGBHILI-FUUBYGMNSA-N 2 0 250.430 2.885 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000903433287 621372741 /nfs/dbraw/zinc/37/27/41/621372741.db2.gz YKDJTIXQLCZHJZ-RCCFBDPRSA-N 2 0 288.435 2.795 20 0 CFADRP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903431589 621372940 /nfs/dbraw/zinc/37/29/40/621372940.db2.gz QRMMLEBXRYAQJA-HYVNUMGLSA-N 2 0 258.409 2.987 20 0 CFADRP Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903433308 621373017 /nfs/dbraw/zinc/37/30/17/621373017.db2.gz ZKKKSLGDGVFSFJ-CVEARBPZSA-N 2 0 276.424 2.823 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)cc1 ZINC000903435081 621373439 /nfs/dbraw/zinc/37/34/39/621373439.db2.gz MZOGHHSFKVOUCT-KBMXLJTQSA-N 2 0 274.408 2.612 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)C1 ZINC000903434819 621373572 /nfs/dbraw/zinc/37/35/72/621373572.db2.gz KXNJTVVYDHONIO-DZOHQFGASA-N 2 0 288.435 2.702 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903434828 621373738 /nfs/dbraw/zinc/37/37/38/621373738.db2.gz LDEIHVZVATUISC-OAGGEKHMSA-N 2 0 258.409 2.912 20 0 CFADRP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903439950 621376800 /nfs/dbraw/zinc/37/68/00/621376800.db2.gz RIARGMZWJILVPG-FSDCSDTHSA-N 2 0 258.409 2.992 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903421997 621378296 /nfs/dbraw/zinc/37/82/96/621378296.db2.gz SQDAPZSHOSEUMD-NUEKZKHPSA-N 2 0 294.389 2.967 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903421613 621378516 /nfs/dbraw/zinc/37/85/16/621378516.db2.gz PPIZFUOYCXBYHA-CQSZACIVSA-N 2 0 257.381 2.599 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2CC(C)C)C1 ZINC000903422415 621378934 /nfs/dbraw/zinc/37/89/34/621378934.db2.gz BYHRVZURIHPJEM-OAHLLOKOSA-N 2 0 260.425 2.926 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000903458617 621379627 /nfs/dbraw/zinc/37/96/27/621379627.db2.gz FOZQBRBPXMVZPQ-SCRDCRAPSA-N 2 0 250.361 2.912 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000903425094 621379877 /nfs/dbraw/zinc/37/98/77/621379877.db2.gz ROOAUDCHWMIICX-UHFFFAOYSA-N 2 0 271.408 2.989 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([NH2+]CC4CC4)CC3)C[C@@H]21 ZINC000903424736 621379929 /nfs/dbraw/zinc/37/99/29/621379929.db2.gz DIJVPMFPRNCPLB-XMQYKBBCSA-N 2 0 284.394 2.742 20 0 CFADRP C[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)[C@@H]1C[NH3+] ZINC000903424954 621380121 /nfs/dbraw/zinc/38/01/21/621380121.db2.gz NDOWKGIZMQASRU-BLLLJJGKSA-N 2 0 257.381 2.727 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000903464008 621382086 /nfs/dbraw/zinc/38/20/86/621382086.db2.gz WJUHWOMHWPASFW-PVAVHDDUSA-N 2 0 258.409 2.722 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)C[C@@H]21 ZINC000903451899 621386866 /nfs/dbraw/zinc/38/68/66/621386866.db2.gz FINKPHJIAQFAAE-NGFQHRJXSA-N 2 0 284.394 2.599 20 0 CFADRP c1cc2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2[nH]1 ZINC000903454139 621388059 /nfs/dbraw/zinc/38/80/59/621388059.db2.gz VUABGINQQCQLPF-DLBZAZTESA-N 2 0 283.419 2.989 20 0 CFADRP FC1(F)CCC[C@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470413 621389350 /nfs/dbraw/zinc/38/93/50/621389350.db2.gz BDXRMAXDUQOMBO-RYUDHWBXSA-N 2 0 258.356 2.686 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903475822 621390421 /nfs/dbraw/zinc/39/04/21/621390421.db2.gz FAIPESTZANCZGR-QVHKTLOISA-N 2 0 286.410 2.975 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3ncccc23)C[C@H]1CC[NH3+] ZINC000903498384 621394239 /nfs/dbraw/zinc/39/42/39/621394239.db2.gz FEXRBBYXNMDVOM-ZIAGYGMSSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1CC[NH3+] ZINC000903496745 621394914 /nfs/dbraw/zinc/39/49/14/621394914.db2.gz BFPXAEZHQSYLFM-KFNAQCHYSA-N 2 0 262.372 2.730 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903716715 621424490 /nfs/dbraw/zinc/42/44/90/621424490.db2.gz QIRUWJWGQPZXBX-DRZSPHRISA-N 2 0 294.361 2.546 20 0 CFADRP CC[N@@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717445 621425020 /nfs/dbraw/zinc/42/50/20/621425020.db2.gz ALIGXFWTJAUBPC-QGZVFWFLSA-N 2 0 288.435 2.667 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+](C1CC1)C1CCCCC1 ZINC000903725313 621427535 /nfs/dbraw/zinc/42/75/35/621427535.db2.gz YQIYPPRMTLKAFO-IAGOWNOFSA-N 2 0 278.440 2.552 20 0 CFADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000903724176 621427659 /nfs/dbraw/zinc/42/76/59/621427659.db2.gz LPKBWBMRJMPVKO-SQNIBIBYSA-N 2 0 292.467 2.800 20 0 CFADRP COc1ccc([C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903725412 621428030 /nfs/dbraw/zinc/42/80/30/621428030.db2.gz BKZOTDPPCLPTLS-RDJZCZTQSA-N 2 0 288.435 2.874 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000903725633 621428092 /nfs/dbraw/zinc/42/80/92/621428092.db2.gz DYDPZVIHLCIAKJ-PBHICJAKSA-N 2 0 274.408 2.919 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(C(C)(C)O)cc1 ZINC000924791910 621428167 /nfs/dbraw/zinc/42/81/67/621428167.db2.gz RXHDDULASPCVBN-XJKSGUPXSA-N 2 0 276.424 2.659 20 0 CFADRP COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903728371 621428719 /nfs/dbraw/zinc/42/87/19/621428719.db2.gz AAMHKPYVXJXTHG-HZPDHXFCSA-N 2 0 290.451 2.948 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000903727618 621428858 /nfs/dbraw/zinc/42/88/58/621428858.db2.gz WAGXUPWRHKYTFD-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728406 621428905 /nfs/dbraw/zinc/42/89/05/621428905.db2.gz AMPOBIHRBLTLAX-SOLBZPMBSA-N 2 0 294.483 2.903 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903729069 621428985 /nfs/dbraw/zinc/42/89/85/621428985.db2.gz JJZMEDCKXKJREX-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP CC(C)[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903730615 621429328 /nfs/dbraw/zinc/42/93/28/621429328.db2.gz XZUROCNJYXUCOE-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)s1 ZINC000903729533 621429707 /nfs/dbraw/zinc/42/97/07/621429707.db2.gz OAMKYYJGAPXRKC-AWEZNQCLSA-N 2 0 294.464 2.647 20 0 CFADRP C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753313 621433035 /nfs/dbraw/zinc/43/30/35/621433035.db2.gz TWNOEDXMYLIQJT-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H](C[N@H+](C)C[C@@H]1CCCC[NH2+]C1)c1nccs1 ZINC000903752924 621433099 /nfs/dbraw/zinc/43/30/99/621433099.db2.gz QGTQEKAEHAVFFA-CHWSQXEVSA-N 2 0 267.442 2.568 20 0 CFADRP CC1(C)CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734718 621433770 /nfs/dbraw/zinc/43/37/70/621433770.db2.gz VGWYBTFYZLLDSM-HNNXBMFYSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734301 621433797 /nfs/dbraw/zinc/43/37/97/621433797.db2.gz PXSRVRFRNCKKAB-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccccc1C1([NH2+]C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903762657 621436288 /nfs/dbraw/zinc/43/62/88/621436288.db2.gz CJANMHBPLJDTBQ-HNNXBMFYSA-N 2 0 258.409 2.963 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000903767624 621437115 /nfs/dbraw/zinc/43/71/15/621437115.db2.gz YAUHMKVQUAGSGE-FGTMMUONSA-N 2 0 292.467 2.657 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000903766617 621437308 /nfs/dbraw/zinc/43/73/08/621437308.db2.gz BBWFTCZHARYNBI-WMZOPIPTSA-N 2 0 292.467 2.801 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000903767626 621437448 /nfs/dbraw/zinc/43/74/48/621437448.db2.gz YAUHMKVQUAGSGE-KZNAEPCWSA-N 2 0 292.467 2.657 20 0 CFADRP C([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903768641 621438090 /nfs/dbraw/zinc/43/80/90/621438090.db2.gz NZPMCGJCSAGASO-ULQDDVLXSA-N 2 0 292.467 2.848 20 0 CFADRP C[C@@H](c1cnccn1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792730 621439141 /nfs/dbraw/zinc/43/91/41/621439141.db2.gz HWQCVTBKYKISMN-HNNXBMFYSA-N 2 0 296.418 2.530 20 0 CFADRP C[C@H]1C[C@@H]1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792938 621439547 /nfs/dbraw/zinc/43/95/47/621439547.db2.gz KALAOBQWWSSLAZ-LSDHHAIUSA-N 2 0 258.409 2.635 20 0 CFADRP C/C=C/C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903775818 621439635 /nfs/dbraw/zinc/43/96/35/621439635.db2.gz ORLVDTDCKBAMNL-JQBWTISXSA-N 2 0 292.467 2.823 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C[C@@H]1CCCC[NH2+]C1 ZINC000903778506 621440156 /nfs/dbraw/zinc/44/01/56/621440156.db2.gz NRPMEXGNMUBXLQ-CZUORRHYSA-N 2 0 273.424 2.675 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000903783715 621441571 /nfs/dbraw/zinc/44/15/71/621441571.db2.gz ATILWNCIKNQSBE-HNNXBMFYSA-N 2 0 298.471 2.533 20 0 CFADRP CC(C)(C)OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903786633 621441907 /nfs/dbraw/zinc/44/19/07/621441907.db2.gz NFGFXESPFYGTTN-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(CC[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903788995 621442459 /nfs/dbraw/zinc/44/24/59/621442459.db2.gz MKKAPHXTXRSBHD-UHFFFAOYSA-N 2 0 290.451 2.935 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)O1 ZINC000903810727 621446785 /nfs/dbraw/zinc/44/67/85/621446785.db2.gz GCASXKIFEVPDDX-RBSFLKMASA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@H](O)CC2CCCC2)CCC1 ZINC000903811573 621447115 /nfs/dbraw/zinc/44/71/15/621447115.db2.gz NKMIYTODQIVQFF-IAGOWNOFSA-N 2 0 294.483 2.911 20 0 CFADRP Cc1cc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c(C)nn1 ZINC000903812151 621447624 /nfs/dbraw/zinc/44/76/24/621447624.db2.gz QYVLWJWSGFEGNY-INIZCTEOSA-N 2 0 288.439 2.577 20 0 CFADRP CCO[C@H](C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1)C1CC1 ZINC000903812644 621447669 /nfs/dbraw/zinc/44/76/69/621447669.db2.gz VNAFKQKYZSFCLE-CVEARBPZSA-N 2 0 280.456 2.785 20 0 CFADRP Nc1cccc(C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903812096 621447709 /nfs/dbraw/zinc/44/77/09/621447709.db2.gz PQHOTTDDTJLUAR-INIZCTEOSA-N 2 0 273.424 2.752 20 0 CFADRP C[C@H]1CCCC[C@H]1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818901 621448227 /nfs/dbraw/zinc/44/82/27/621448227.db2.gz XTCZXEKOJIIQSO-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@]12C[N@H+](CCC3CC[NH2+]CC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827817 621450865 /nfs/dbraw/zinc/45/08/65/621450865.db2.gz XVQGPVMHKJMYLZ-VVLHAWIVSA-N 2 0 260.425 2.520 20 0 CFADRP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903831926 621452187 /nfs/dbraw/zinc/45/21/87/621452187.db2.gz OHVMBWSMWGHWBF-HIFRSBDPSA-N 2 0 284.407 2.636 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000903841428 621453012 /nfs/dbraw/zinc/45/30/12/621453012.db2.gz XUWHHFOLHQWMLK-CYDGBPFRSA-N 2 0 258.356 2.624 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CC[C@H](c3ccccc3)O1)C2 ZINC000903841603 621453159 /nfs/dbraw/zinc/45/31/59/621453159.db2.gz YLCNWNKYHQSRPC-KTQBOKQISA-N 2 0 286.419 2.718 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCSc1ccccc1)C2 ZINC000903845545 621454937 /nfs/dbraw/zinc/45/49/37/621454937.db2.gz IIGGMEWWEPTPPY-MJBXVCDLSA-N 2 0 262.422 2.590 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000903844007 621455007 /nfs/dbraw/zinc/45/50/07/621455007.db2.gz ZDNUKCPANRICDA-TXKWRHDYSA-N 2 0 260.356 2.625 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1)C2 ZINC000903848675 621455374 /nfs/dbraw/zinc/45/53/74/621455374.db2.gz SRQKOMVPJFOODT-YUTCNCBUSA-N 2 0 250.773 2.652 20 0 CFADRP CCOc1ccc(CC[N@H+](C)CC[C@H]2CC[NH2+]C2)cc1 ZINC000903862643 621459084 /nfs/dbraw/zinc/45/90/84/621459084.db2.gz AZHVMMKKHHWGKX-MRXNPFEDSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2CCN1CCC[C@]12CC[NH2+]C2 ZINC000903869897 621461465 /nfs/dbraw/zinc/46/14/65/621461465.db2.gz KIDLWHJRAJRTSQ-SJLPKXTDSA-N 2 0 270.420 2.934 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000903895427 621465538 /nfs/dbraw/zinc/46/55/38/621465538.db2.gz NRMOYTLHJOOOMI-AQBKWJQSSA-N 2 0 280.456 2.652 20 0 CFADRP Fc1ccc(C2([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903898650 621466990 /nfs/dbraw/zinc/46/69/90/621466990.db2.gz MQMAMUAFBXNOSK-SFESLNEESA-N 2 0 274.383 2.935 20 0 CFADRP Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903921595 621473547 /nfs/dbraw/zinc/47/35/47/621473547.db2.gz PYCSRCFNMCEKLR-GFCCVEGCSA-N 2 0 299.418 2.658 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922576 621473574 /nfs/dbraw/zinc/47/35/74/621473574.db2.gz AAFMRVLPQMBUCK-ALOPSCKCSA-N 2 0 272.436 2.966 20 0 CFADRP CC[C@H](C[NH2+]C[C@H]([NH3+])CC(F)F)Oc1ccccc1C ZINC000903923356 621474234 /nfs/dbraw/zinc/47/42/34/621474234.db2.gz ROUIGJAFIBHEMB-CHWSQXEVSA-N 2 0 286.366 2.725 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903930032 621475858 /nfs/dbraw/zinc/47/58/58/621475858.db2.gz QMDKVOVHEPYZAG-MRXNPFEDSA-N 2 0 270.420 2.954 20 0 CFADRP FCCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903934746 621477511 /nfs/dbraw/zinc/47/75/11/621477511.db2.gz JQUHKMGCBVRYCI-GOOCMWNKSA-N 2 0 254.393 2.589 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000903937336 621477916 /nfs/dbraw/zinc/47/79/16/621477916.db2.gz IJTUIFVVEBFPHJ-YCXXCVGLSA-N 2 0 292.467 2.941 20 0 CFADRP FC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000903938106 621478221 /nfs/dbraw/zinc/47/82/21/621478221.db2.gz ZTVIKTRCBHMMQN-MJVCVBRESA-N 2 0 280.362 2.957 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000903956959 621478743 /nfs/dbraw/zinc/47/87/43/621478743.db2.gz OAHIAAIPZVASNJ-KKUMJFAQSA-N 2 0 280.362 2.625 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000903959732 621480424 /nfs/dbraw/zinc/48/04/24/621480424.db2.gz NBKFUJPAFPTMBI-SFHVURJKSA-N 2 0 298.434 2.539 20 0 CFADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])ccc1OC(F)F ZINC000903941082 621482879 /nfs/dbraw/zinc/48/28/79/621482879.db2.gz OIABODPIJNYRJN-UHFFFAOYSA-N 2 0 288.338 2.514 20 0 CFADRP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000903947795 621485295 /nfs/dbraw/zinc/48/52/95/621485295.db2.gz IEMBQKADBFAKFY-CVEARBPZSA-N 2 0 262.372 2.601 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955714 621490184 /nfs/dbraw/zinc/49/01/84/621490184.db2.gz AQKKUVHSHISNEM-AGIUHOORSA-N 2 0 260.372 2.646 20 0 CFADRP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955716 621490241 /nfs/dbraw/zinc/49/02/41/621490241.db2.gz AQKKUVHSHISNEM-FRRDWIJNSA-N 2 0 260.372 2.646 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000903956690 621491201 /nfs/dbraw/zinc/49/12/01/621491201.db2.gz MYYNXECGLFGDFH-FRRDWIJNSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000903973372 621492092 /nfs/dbraw/zinc/49/20/92/621492092.db2.gz AUWIQZWVWHEIAA-DGCLKSJQSA-N 2 0 294.826 2.610 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973365 621492306 /nfs/dbraw/zinc/49/23/06/621492306.db2.gz APIKGUFIUKQAHO-IIAWOOMASA-N 2 0 278.415 2.982 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CC(C)(C)c1ccccc1 ZINC000903973384 621492388 /nfs/dbraw/zinc/49/23/88/621492388.db2.gz BJUFPJKJTCQPOS-HUUCEWRRSA-N 2 0 260.425 2.799 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1C1CC1 ZINC000903974183 621492398 /nfs/dbraw/zinc/49/23/98/621492398.db2.gz LEDHHDUWFADEHD-UKRRQHHQSA-N 2 0 258.409 2.899 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903974841 621493186 /nfs/dbraw/zinc/49/31/86/621493186.db2.gz UGTDPYYLEMUSRZ-CHWSQXEVSA-N 2 0 281.469 2.677 20 0 CFADRP CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)s1 ZINC000903977717 621493394 /nfs/dbraw/zinc/49/33/94/621493394.db2.gz XFGCCAGSTWAOMQ-CHWSQXEVSA-N 2 0 281.469 2.758 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000903978679 621494055 /nfs/dbraw/zinc/49/40/55/621494055.db2.gz JZHWIHUZTXOXTR-GZBFAFLISA-N 2 0 264.388 2.764 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977874 621494020 /nfs/dbraw/zinc/49/40/20/621494020.db2.gz CBPAKCXWAOHXGU-TZMCWYRMSA-N 2 0 264.388 2.805 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CC3 ZINC000903968531 621496706 /nfs/dbraw/zinc/49/67/06/621496706.db2.gz XPQFJXGWWOZHQI-ILXRZTDVSA-N 2 0 297.446 2.779 20 0 CFADRP F[C@@H]1COc2ccccc2[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903986556 621498861 /nfs/dbraw/zinc/49/88/61/621498861.db2.gz MABHGAXNAAEXRU-SVSUKYMVSA-N 2 0 290.382 2.578 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cnc(N)s2)CC1 ZINC000903986771 621498984 /nfs/dbraw/zinc/49/89/84/621498984.db2.gz RSMSJLXUYIQHKJ-UHFFFAOYSA-N 2 0 294.468 2.612 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC[NH2+]1 ZINC000903987323 621499608 /nfs/dbraw/zinc/49/96/08/621499608.db2.gz ZPVBMBQAVPLXFS-VEZWFGLTSA-N 3 0 293.499 2.761 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000904363563 621585478 /nfs/dbraw/zinc/58/54/78/621585478.db2.gz IXZISEHGSCZIQE-GSJFWJNXSA-N 2 0 273.207 2.863 20 0 CFADRP C[N@H+](CCc1ccc(F)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904311510 621570717 /nfs/dbraw/zinc/57/07/17/621570717.db2.gz DQNCVZSIEFXUQF-MRXNPFEDSA-N 2 0 264.388 2.690 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313536 621571451 /nfs/dbraw/zinc/57/14/51/621571451.db2.gz GYNSAIMBQITLRY-XBXGTLAGSA-N 2 0 252.789 2.552 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCc3c(Br)cccc3C2)C1 ZINC000904317342 621572132 /nfs/dbraw/zinc/57/21/32/621572132.db2.gz VDYZZMKAPYMYHU-KLPPZKSPSA-N 2 0 295.224 2.545 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(OC3CCCCC3)CC2)C1 ZINC000904316267 621572282 /nfs/dbraw/zinc/57/22/82/621572282.db2.gz JUPUMALGYRFTPP-OKILXGFUSA-N 2 0 266.429 2.537 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000904317526 621572335 /nfs/dbraw/zinc/57/23/35/621572335.db2.gz ZZNXPOUEAMWHMH-JKSUJKDBSA-N 2 0 281.488 2.700 20 0 CFADRP COc1ccc(C2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904338491 621572840 /nfs/dbraw/zinc/57/28/40/621572840.db2.gz RIJDCFRGMRIILA-AKAXFMLLSA-N 2 0 274.408 2.612 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@]2(C)CCC[NH2+]C2)n1 ZINC000904321722 621574032 /nfs/dbraw/zinc/57/40/32/621574032.db2.gz DINHIRMHAMMDQX-IAGOWNOFSA-N 2 0 273.424 2.917 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000904322326 621574174 /nfs/dbraw/zinc/57/41/74/621574174.db2.gz WXWCLOMVFMAGKQ-CFVMTHIKSA-N 2 0 262.422 2.514 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1C ZINC000904340328 621578004 /nfs/dbraw/zinc/57/80/04/621578004.db2.gz HIVOAAREGIYFCT-ILXRZTDVSA-N 2 0 269.477 2.555 20 0 CFADRP C[NH+]1CCC2(CCCN2C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904341979 621578069 /nfs/dbraw/zinc/57/80/69/621578069.db2.gz SVCNFVLMMTXECF-HNNXBMFYSA-N 2 0 281.488 2.700 20 0 CFADRP CN(C)c1ccc(C2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904342377 621579034 /nfs/dbraw/zinc/57/90/34/621579034.db2.gz GDIUAQHDKSDOJH-KDYLLFBJSA-N 2 0 287.451 2.669 20 0 CFADRP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1C(F)F ZINC000904355451 621581641 /nfs/dbraw/zinc/58/16/41/621581641.db2.gz NVPHTKQWMBSKEC-NSHDSACASA-N 2 0 272.314 2.995 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000904360526 621582755 /nfs/dbraw/zinc/58/27/55/621582755.db2.gz MXWBXWZILWHEOO-OTVXOJSOSA-N 2 0 274.408 2.835 20 0 CFADRP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904367078 621583476 /nfs/dbraw/zinc/58/34/76/621583476.db2.gz VFBOFSGGQOURFD-VYDXJSESSA-N 2 0 282.472 2.807 20 0 CFADRP [NH3+]CC1CC([NH2+]CCc2ccccc2C(F)(F)F)C1 ZINC000904362606 621583751 /nfs/dbraw/zinc/58/37/51/621583751.db2.gz PAZYQVQXDLEBNB-UHFFFAOYSA-N 2 0 272.314 2.575 20 0 CFADRP Cc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1Br ZINC000904367874 621584081 /nfs/dbraw/zinc/58/40/81/621584081.db2.gz FRJWGUFOLMYGAA-KLPPZKSPSA-N 2 0 283.213 2.584 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000904367752 621584222 /nfs/dbraw/zinc/58/42/22/621584222.db2.gz HMRAFPCEDBHAQE-DKTWLAJQSA-N 2 0 259.180 2.820 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000904363440 621585271 /nfs/dbraw/zinc/58/52/71/621585271.db2.gz FODPFFVRMMCQDH-MRXNPFEDSA-N 2 0 264.388 2.656 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000904388384 621585939 /nfs/dbraw/zinc/58/59/39/621585939.db2.gz IFZUBTXGQPXWBO-UPJWGTAASA-N 2 0 291.464 2.549 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH3+])CC1 ZINC000904366508 621586045 /nfs/dbraw/zinc/58/60/45/621586045.db2.gz MPLZJMBMHDWNOQ-CVEARBPZSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CNCc1ccc(C[NH3+])cc1F ZINC000904376049 621586932 /nfs/dbraw/zinc/58/69/32/621586932.db2.gz LATGLYXYOUIACF-CQSZACIVSA-N 2 0 281.419 2.528 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccnc(Oc3ccccc3)c2)C1 ZINC000904375683 621586963 /nfs/dbraw/zinc/58/69/63/621586963.db2.gz FNYMVKMPGHTAEI-GASCZTMLSA-N 2 0 283.375 2.701 20 0 CFADRP CC(C)c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904376585 621587200 /nfs/dbraw/zinc/58/72/00/621587200.db2.gz CHULXQQKTQLKSE-XFHMXUHZSA-N 2 0 258.409 2.905 20 0 CFADRP Cc1csc([C@H]2CC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)n1 ZINC000904384057 621588186 /nfs/dbraw/zinc/58/81/86/621588186.db2.gz HOFXBUUCAAAJQU-ZFWWWQNUSA-N 2 0 279.453 2.631 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000904383608 621588362 /nfs/dbraw/zinc/58/83/62/621588362.db2.gz ABVSWEBKNMBLJX-PBHICJAKSA-N 2 0 283.504 2.837 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@@H]1C[NH3+] ZINC000904409972 621590937 /nfs/dbraw/zinc/59/09/37/621590937.db2.gz LAWMGUMOOZUHAX-ZYHUDNBSSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904409661 621591173 /nfs/dbraw/zinc/59/11/73/621591173.db2.gz FQXFVFLYIJBZNW-INMHGKMJSA-N 2 0 260.425 2.782 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904409402 621591328 /nfs/dbraw/zinc/59/13/28/621591328.db2.gz BCLMCPVXWQNGIO-AWEZNQCLSA-N 2 0 292.423 2.655 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC000904409634 621591362 /nfs/dbraw/zinc/59/13/62/621591362.db2.gz FAILDTVXADLGLO-OLZOCXBDSA-N 2 0 288.391 2.858 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)CC[C@H]1C[NH3+] ZINC000904410140 621591869 /nfs/dbraw/zinc/59/18/69/621591869.db2.gz BHUNNBUDLMSJED-NEPJUHHUSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1C[NH3+] ZINC000904410910 621591877 /nfs/dbraw/zinc/59/18/77/621591877.db2.gz RQEKIXPQRAYLKK-NWDGAFQWSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CC[C@@H]1C[NH3+] ZINC000904411277 621592611 /nfs/dbraw/zinc/59/26/11/621592611.db2.gz TVVSDNDHZGLQOL-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1C[NH3+] ZINC000904411879 621592855 /nfs/dbraw/zinc/59/28/55/621592855.db2.gz PJIZTCAADVHVOM-WDEREUQCSA-N 2 0 270.779 2.896 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)s1 ZINC000904412151 621593266 /nfs/dbraw/zinc/59/32/66/621593266.db2.gz RCQSZVQNFINZFL-NWDGAFQWSA-N 2 0 267.442 2.683 20 0 CFADRP c1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000904416057 621594215 /nfs/dbraw/zinc/59/42/15/621594215.db2.gz FVJFWZIMGNFCLO-ZDUSSCGKSA-N 2 0 279.453 2.745 20 0 CFADRP CC[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000904420160 621596603 /nfs/dbraw/zinc/59/66/03/621596603.db2.gz DWNLGDZTYLDNHK-BHYGNILZSA-N 2 0 258.409 2.722 20 0 CFADRP CC(C)(C[NH3+])C1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000904443468 621598775 /nfs/dbraw/zinc/59/87/75/621598775.db2.gz LEFVQFQECNHIEU-UHFFFAOYSA-N 2 0 293.480 2.829 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904477389 621601928 /nfs/dbraw/zinc/60/19/28/621601928.db2.gz VHMDMVPREHDYHV-DOMZBBRYSA-N 2 0 261.413 2.823 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cccc(O)c3)c2)CC1 ZINC000904761955 621636888 /nfs/dbraw/zinc/63/68/88/621636888.db2.gz GTAPUJKSGJJWFS-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC=CCC1 ZINC000905493705 621785297 /nfs/dbraw/zinc/78/52/97/621785297.db2.gz WVDBXEALRRLUME-GOSISDBHSA-N 2 0 288.435 2.568 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000905888485 621891423 /nfs/dbraw/zinc/89/14/23/621891423.db2.gz FVBUCDQAPULKDK-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)cc1 ZINC000906157714 621935793 /nfs/dbraw/zinc/93/57/93/621935793.db2.gz IVSLMCIABHLZTL-MRXNPFEDSA-N 2 0 296.418 2.672 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)nc2)cc1 ZINC000906157716 621936010 /nfs/dbraw/zinc/93/60/10/621936010.db2.gz IZZCGCIXPPNTKF-MRXNPFEDSA-N 2 0 282.391 2.630 20 0 CFADRP C[NH2+]Cc1ncc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)cn1 ZINC000906159513 621936492 /nfs/dbraw/zinc/93/64/92/621936492.db2.gz RVNWQFRVORUNQA-AWEZNQCLSA-N 2 0 296.418 2.847 20 0 CFADRP Cc1cc(C[NH2+]C2CC([NH3+])C2)ccc1C(F)(F)F ZINC000906509960 621995188 /nfs/dbraw/zinc/99/51/88/621995188.db2.gz FYDUJVIXILHTOK-UHFFFAOYSA-N 2 0 258.287 2.593 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000906517972 621996577 /nfs/dbraw/zinc/99/65/77/621996577.db2.gz LNEXQDWHGAKHPP-KYZUINATSA-N 2 0 289.604 2.682 20 0 CFADRP Cc1cc(C)c(C(=O)NC2CCC([NH+](C)C)CC2)c(C)n1 ZINC000911193109 622512006 /nfs/dbraw/zinc/51/20/06/622512006.db2.gz IIFNDLNEDAWMHX-UHFFFAOYSA-N 2 0 289.423 2.609 20 0 CFADRP CSCCCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184103930 625573058 /nfs/dbraw/zinc/57/30/58/625573058.db2.gz UXZNHDIUJXJFTP-ZIAGYGMSSA-N 2 0 258.475 2.982 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])C2CCCCCC2)cc1 ZINC000911845366 622563805 /nfs/dbraw/zinc/56/38/05/622563805.db2.gz IXUIIBPLXJXGTE-WBMJQRKESA-N 2 0 289.423 2.943 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)C1 ZINC000924844718 622672426 /nfs/dbraw/zinc/67/24/26/622672426.db2.gz WSEBJSFAJCQKQN-BFYDXBDKSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@H]([NH2+]CCCn1ccnc1)c1cccc(C[NH+](C)C)c1 ZINC000820805511 622758876 /nfs/dbraw/zinc/75/88/76/622758876.db2.gz KZRKGUOXTVIYJK-HNNXBMFYSA-N 2 0 286.423 2.686 20 0 CFADRP CCN(CC)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820804839 622760017 /nfs/dbraw/zinc/76/00/17/622760017.db2.gz AMJZBJLQFOPARJ-OAHLLOKOSA-N 2 0 277.456 2.741 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(C[NH+](C)C)c1 ZINC000820812943 622764549 /nfs/dbraw/zinc/76/45/49/622764549.db2.gz VUPLRGZXUFSALI-UONOGXRCSA-N 2 0 264.413 2.560 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)[S@](C)=O ZINC000820823769 622767000 /nfs/dbraw/zinc/76/70/00/622767000.db2.gz PACXLGWIYDDIFQ-CKNLXJGOSA-N 2 0 296.480 2.556 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000924851787 622790733 /nfs/dbraw/zinc/79/07/33/622790733.db2.gz GLKNGQPPZZAVNS-LSDHHAIUSA-N 3 0 277.456 2.739 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924851786 622791401 /nfs/dbraw/zinc/79/14/01/622791401.db2.gz GLKNGQPPZZAVNS-HUUCEWRRSA-N 3 0 277.456 2.739 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cncs1 ZINC000054769969 622921089 /nfs/dbraw/zinc/92/10/89/622921089.db2.gz MEKXHPWGKRECQU-LBPRGKRZSA-N 2 0 255.431 2.743 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000876942793 622995219 /nfs/dbraw/zinc/99/52/19/622995219.db2.gz FTTZIMUCRPMTEE-TYILLQQXSA-N 2 0 290.388 2.641 20 0 CFADRP C[N@H+](Cc1cncc(Br)c1)C1CCC([NH3+])CC1 ZINC000157335672 623028707 /nfs/dbraw/zinc/02/87/07/623028707.db2.gz WFTPJJMIWQEDNG-UHFFFAOYSA-N 2 0 298.228 2.546 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)S1 ZINC000225245569 623034204 /nfs/dbraw/zinc/03/42/04/623034204.db2.gz OKXPNUPZYRHOKP-AXOHJZAGSA-N 2 0 268.470 2.733 20 0 CFADRP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000226436630 623075329 /nfs/dbraw/zinc/07/53/29/623075329.db2.gz WLIMPVGRNCXAHI-KBPBESRZSA-N 2 0 262.397 2.775 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000228475182 623145165 /nfs/dbraw/zinc/14/51/65/623145165.db2.gz FMKFRNLUQALWGA-NJZAAPMLSA-N 2 0 264.800 2.899 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)s1 ZINC000062862643 623301043 /nfs/dbraw/zinc/30/10/43/623301043.db2.gz FYBSEFDRBWSSOH-QMTHXVAHSA-N 2 0 267.442 2.800 20 0 CFADRP Cc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063200040 623332738 /nfs/dbraw/zinc/33/27/38/623332738.db2.gz KMUJGCZKGGTULD-GOSISDBHSA-N 2 0 288.435 2.838 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CCCCCCC[NH3+])CC2 ZINC000842471913 623474962 /nfs/dbraw/zinc/47/49/62/623474962.db2.gz GMAGBWBNCCVPSJ-UHFFFAOYSA-N 2 0 276.424 2.963 20 0 CFADRP Cc1cccc([C@@H](O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000929724252 623527276 /nfs/dbraw/zinc/52/72/76/623527276.db2.gz YKCNGMGXUGMOEZ-ROUUACIJSA-N 2 0 290.451 2.835 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(Cl)Cl ZINC000824771374 623561767 /nfs/dbraw/zinc/56/17/67/623561767.db2.gz BRCBVFRXLVVBSQ-IJLUTSLNSA-N 2 0 277.239 2.787 20 0 CFADRP CC1(C)C([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000825928205 623771286 /nfs/dbraw/zinc/77/12/86/623771286.db2.gz NOWBPRNWFCGNGO-UHFFFAOYSA-N 2 0 270.380 2.792 20 0 CFADRP CCC(CC)[C@H](CNc1cc(C)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000914572009 623899880 /nfs/dbraw/zinc/89/98/80/623899880.db2.gz FPBQBMWGHUZNAU-AWEZNQCLSA-N 2 0 291.443 2.680 20 0 CFADRP Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000917011898 624299680 /nfs/dbraw/zinc/29/96/80/624299680.db2.gz ATHMRHRKGIRIKN-FUHWJXTLSA-N 2 0 288.435 2.589 20 0 CFADRP CCC[N@H+](C[C@@H](O)CN1CCCC1)CC1CCCCC1 ZINC000918778571 624488090 /nfs/dbraw/zinc/48/80/90/624488090.db2.gz MDQZMQIOLZFGCT-KRWDZBQOSA-N 2 0 282.472 2.735 20 0 CFADRP Cc1nccn1CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925471642 624610385 /nfs/dbraw/zinc/61/03/85/624610385.db2.gz CVOASWHCISEZBE-KRWDZBQOSA-N 2 0 286.423 2.651 20 0 CFADRP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925473898 624630204 /nfs/dbraw/zinc/63/02/04/624630204.db2.gz GRHWVDKRWHHAJN-MAUKXSAKSA-N 2 0 289.467 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000925481415 624745847 /nfs/dbraw/zinc/74/58/47/624745847.db2.gz POVRJYZTQOTCSY-AWEZNQCLSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000925481417 624746262 /nfs/dbraw/zinc/74/62/62/624746262.db2.gz POVRJYZTQOTCSY-CQSZACIVSA-N 2 0 256.459 2.592 20 0 CFADRP c1cn2c(n1)[C@@H]([NH2+]C1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000834615665 625736292 /nfs/dbraw/zinc/73/62/92/625736292.db2.gz HBDKSQZWDROCFQ-GPANFISMSA-N 2 0 288.439 2.715 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C12CCC2 ZINC000834689036 625785446 /nfs/dbraw/zinc/78/54/46/625785446.db2.gz HYNXHEVEGUDLJD-QDIHITRGSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCCN1CCCO ZINC000834851053 625901850 /nfs/dbraw/zinc/90/18/50/625901850.db2.gz SWMBTMWYPUXQKY-GDBMZVCRSA-N 2 0 294.414 2.632 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1 ZINC000921512178 625956892 /nfs/dbraw/zinc/95/68/92/625956892.db2.gz INAYBAHZUXWNHI-UHFFFAOYSA-N 2 0 299.418 2.919 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1 ZINC000921522190 625972864 /nfs/dbraw/zinc/97/28/64/625972864.db2.gz OISUGBQLZXRAIG-KBPBESRZSA-N 2 0 258.475 2.981 20 0 CFADRP Cc1cnc(Cl)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000921528266 625978704 /nfs/dbraw/zinc/97/87/04/625978704.db2.gz RTPYSBSJJULGBD-GFCCVEGCSA-N 2 0 279.815 2.617 20 0 CFADRP c1cc2c(c(CNC[C@H]3CC[N@@H+](C4CC4)C3)n1)CCCC2 ZINC000921528301 625978746 /nfs/dbraw/zinc/97/87/46/625978746.db2.gz SEXWCUBQYKOHOM-CQSZACIVSA-N 2 0 285.435 2.534 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000921551237 625985004 /nfs/dbraw/zinc/98/50/04/625985004.db2.gz BKDPDXQBFHZQGY-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](SC)C2)C1 ZINC000921580671 625989664 /nfs/dbraw/zinc/98/96/64/625989664.db2.gz FKVBZLAKAHZXNN-RBSFLKMASA-N 2 0 270.486 2.982 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000922136999 626215871 /nfs/dbraw/zinc/21/58/71/626215871.db2.gz IGDFRJSPLAKOQO-MELADBBJSA-N 2 0 258.475 2.979 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2ccns2)CC1 ZINC000929275755 626233454 /nfs/dbraw/zinc/23/34/54/626233454.db2.gz MIULZERWISDLET-UHFFFAOYSA-N 2 0 281.469 2.739 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)c1 ZINC000922283576 626259763 /nfs/dbraw/zinc/25/97/63/626259763.db2.gz DHDKGHSZCYOQCF-OAHLLOKOSA-N 2 0 276.424 2.825 20 0 CFADRP CCC[C@H](C)C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922393408 626283273 /nfs/dbraw/zinc/28/32/73/626283273.db2.gz KPPZXAOKVBXRSH-OBVSXPTNSA-N 2 0 296.499 2.882 20 0 CFADRP COC(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC ZINC000851726036 634491560 /nfs/dbraw/zinc/49/15/60/634491560.db2.gz LGPXXILVEMFPFX-UHFFFAOYSA-N 2 0 298.471 2.583 20 0 CFADRP c1cc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000922430214 626287901 /nfs/dbraw/zinc/28/79/01/626287901.db2.gz CLUAXBNAFRYTMS-JJRVBVJISA-N 2 0 282.391 2.793 20 0 CFADRP Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)nn1 ZINC000922503815 626299441 /nfs/dbraw/zinc/29/94/41/626299441.db2.gz KPXXKNVJVLYSJP-UHFFFAOYSA-N 2 0 288.439 2.672 20 0 CFADRP CCCCC[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186564776 626347029 /nfs/dbraw/zinc/34/70/29/626347029.db2.gz SENSVPHXWVHGAK-JKSUJKDBSA-N 2 0 269.477 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)CC1(C)C ZINC000922728152 626354555 /nfs/dbraw/zinc/35/45/55/626354555.db2.gz GQMVOFLVYCVALD-GARJFASQSA-N 2 0 264.335 2.647 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1(C)C ZINC000922813353 626368596 /nfs/dbraw/zinc/36/85/96/626368596.db2.gz QJYFSVNWQPCHFE-GJZGRUSLSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCS1 ZINC000922836833 626376335 /nfs/dbraw/zinc/37/63/35/626376335.db2.gz DSSSUDMIFMODBY-CHWSQXEVSA-N 2 0 288.420 2.641 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000922844261 626378510 /nfs/dbraw/zinc/37/85/10/626378510.db2.gz AUVASBLDDOSLRL-GMRIPVOYSA-N 2 0 280.456 2.941 20 0 CFADRP COc1cccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922846122 626379513 /nfs/dbraw/zinc/37/95/13/626379513.db2.gz VAEJRJNDTNSYGD-UHFFFAOYSA-N 2 0 289.423 2.587 20 0 CFADRP Cc1nc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)[nH]c1C ZINC000922846558 626379629 /nfs/dbraw/zinc/37/96/29/626379629.db2.gz NBCHMSRUTKCZFV-UHFFFAOYSA-N 2 0 276.428 2.523 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cncs2)CC1 ZINC000922847356 626380235 /nfs/dbraw/zinc/38/02/35/626380235.db2.gz NHLBPHYDCQTYMR-UHFFFAOYSA-N 2 0 265.426 2.640 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2c(F)cc(O)cc2F)CC1(C)C ZINC000922977088 626437971 /nfs/dbraw/zinc/43/79/71/626437971.db2.gz UQTZRHLPICUAJE-LLVKDONJSA-N 2 0 298.377 2.675 20 0 CFADRP CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)c1ccc(F)cc1 ZINC000923307413 626464086 /nfs/dbraw/zinc/46/40/86/626464086.db2.gz VYEHOXMNVWBEBT-BBRMVZONSA-N 2 0 292.398 2.587 20 0 CFADRP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(O)c1 ZINC000923303300 626464381 /nfs/dbraw/zinc/46/43/81/626464381.db2.gz BPAWYYXULSXCAS-VHRNVKJDSA-N 2 0 274.408 2.745 20 0 CFADRP CC1(C)C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)(C)CO1 ZINC000923315811 626465336 /nfs/dbraw/zinc/46/53/36/626465336.db2.gz KMOZLLXDIHJQMK-GOOCMWNKSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317513 626465580 /nfs/dbraw/zinc/46/55/80/626465580.db2.gz DKSHYRJMPUIDCR-RRFJBIMHSA-N 2 0 280.456 2.559 20 0 CFADRP c1ccc2c(c1)CC[C@H]2[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923309715 626465966 /nfs/dbraw/zinc/46/59/66/626465966.db2.gz NUELGSAZNOSSKL-FUHWJXTLSA-N 2 0 298.430 2.517 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923321663 626466506 /nfs/dbraw/zinc/46/65/06/626466506.db2.gz HQBFUWCMMHONCQ-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000923325752 626466698 /nfs/dbraw/zinc/46/66/98/626466698.db2.gz BNWGECSJOYAURY-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000923325430 626466867 /nfs/dbraw/zinc/46/68/67/626466867.db2.gz UKYRQAFNXDTMIU-VGUREELVSA-N 3 0 293.499 2.569 20 0 CFADRP CCCCCC[C@H](O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000923334931 626466986 /nfs/dbraw/zinc/46/69/86/626466986.db2.gz HKTLPJVRDBNEOQ-HOTGVXAUSA-N 2 0 270.461 2.782 20 0 CFADRP CCCCCC[C@@H](O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000923334933 626467063 /nfs/dbraw/zinc/46/70/63/626467063.db2.gz HKTLPJVRDBNEOQ-HZPDHXFCSA-N 2 0 270.461 2.782 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000923364810 626468752 /nfs/dbraw/zinc/46/87/52/626468752.db2.gz OYOYVLYJVPHKLI-IRXDYDNUSA-N 2 0 282.472 2.782 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000923362665 626469291 /nfs/dbraw/zinc/46/92/91/626469291.db2.gz MGGGPAZKKQRWEP-DVYCCQPDSA-N 2 0 292.467 2.641 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(-n2cccn2)c1 ZINC000923376909 626469302 /nfs/dbraw/zinc/46/93/02/626469302.db2.gz GJEXPBQMTSQFQH-CQSZACIVSA-N 2 0 284.407 2.665 20 0 CFADRP [NH3+]C[C@@H]1CCc2ccccc2N1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923392398 626470262 /nfs/dbraw/zinc/47/02/62/626470262.db2.gz RGFWDNRAPWJWLV-ONQFOCNCSA-N 2 0 299.462 2.687 20 0 CFADRP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000923396246 626470545 /nfs/dbraw/zinc/47/05/45/626470545.db2.gz XAMDBYWEQVNSAK-IRXDYDNUSA-N 2 0 292.467 2.657 20 0 CFADRP [NH3+]Cc1cccc2c1N(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000923400428 626470776 /nfs/dbraw/zinc/47/07/76/626470776.db2.gz APONLFCWMAKMRE-DODVFSASSA-N 2 0 299.462 2.819 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923414184 626471250 /nfs/dbraw/zinc/47/12/50/626471250.db2.gz KRNBICDEBRGVDD-MMNRESRNSA-N 2 0 293.499 2.604 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422390 626471573 /nfs/dbraw/zinc/47/15/73/626471573.db2.gz QYRNCHYPIUHJDK-CRAIPNDOSA-N 3 0 293.499 2.748 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(CCC[NH2+]C2CC2)CC1 ZINC000923425474 626472006 /nfs/dbraw/zinc/47/20/06/626472006.db2.gz ZLEFIHSHSCWBAW-UHFFFAOYSA-N 2 0 293.499 2.859 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923425855 626472120 /nfs/dbraw/zinc/47/21/20/626472120.db2.gz JLTUILDVIPPEIJ-HNNXBMFYSA-N 2 0 268.445 2.536 20 0 CFADRP c1ccc2c(c1)C[N@H+](CCC[NH2+]C1CC1)C[C@H]1CCCN21 ZINC000923428494 626472219 /nfs/dbraw/zinc/47/22/19/626472219.db2.gz ZYTIXMNOPIYWEZ-QGZVFWFLSA-N 2 0 285.435 2.613 20 0 CFADRP C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449028 626473537 /nfs/dbraw/zinc/47/35/37/626473537.db2.gz JRNMJSJUGSSAKA-CJNGLKHVSA-N 2 0 292.398 2.717 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000923479133 626475790 /nfs/dbraw/zinc/47/57/90/626475790.db2.gz MBDCRCZGKWKDTC-GOEBONIOSA-N 2 0 258.409 2.777 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478997 626476016 /nfs/dbraw/zinc/47/60/16/626476016.db2.gz LFZQNWODBATENY-AWEZNQCLSA-N 2 0 261.413 2.684 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000923481972 626476380 /nfs/dbraw/zinc/47/63/80/626476380.db2.gz BELJOOJONKPEMQ-NSHDSACASA-N 2 0 277.393 2.574 20 0 CFADRP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](CC[NH3+])C3)co2)cc1 ZINC000923484767 626476388 /nfs/dbraw/zinc/47/63/88/626476388.db2.gz BWOVCSHCCCCJLB-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@H]1C[NH3+] ZINC000923495720 626476408 /nfs/dbraw/zinc/47/64/08/626476408.db2.gz WUCHGDBRFMDVRB-ZFWWWQNUSA-N 2 0 258.409 2.981 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1F ZINC000923490424 626476467 /nfs/dbraw/zinc/47/64/67/626476467.db2.gz CIBRCAIVIIFMGG-RYUDHWBXSA-N 2 0 268.351 2.690 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC000923488097 626476561 /nfs/dbraw/zinc/47/65/61/626476561.db2.gz DFSKVSPHPCGFEZ-ZBFHGGJFSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@@H]1C[NH3+] ZINC000923491407 626476738 /nfs/dbraw/zinc/47/67/38/626476738.db2.gz RIJMABGXBPGOMU-SUMWQHHRSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@@H]1C[NH3+] ZINC000923493349 626476746 /nfs/dbraw/zinc/47/67/46/626476746.db2.gz SOHSZESDJXOWDQ-SWLSCSKDSA-N 2 0 257.381 2.585 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1C ZINC000923493972 626476827 /nfs/dbraw/zinc/47/68/27/626476827.db2.gz XPECUIPIPILUFN-INIZCTEOSA-N 2 0 288.435 2.985 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502756 626476832 /nfs/dbraw/zinc/47/68/32/626476832.db2.gz ZJFPVTUZSTURNT-CHWSQXEVSA-N 2 0 250.361 2.551 20 0 CFADRP CCCCc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923502738 626476855 /nfs/dbraw/zinc/47/68/55/626476855.db2.gz YVTCZJMZWHZDNS-STQMWFEESA-N 2 0 281.469 2.902 20 0 CFADRP CC(C)OCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503320 626476913 /nfs/dbraw/zinc/47/69/13/626476913.db2.gz JDIZTOFBIBNSBN-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP C(C1CCC1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923503331 626476992 /nfs/dbraw/zinc/47/69/92/626476992.db2.gz JIJRCIALSYMMNQ-OAHLLOKOSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923502672 626477028 /nfs/dbraw/zinc/47/70/28/626477028.db2.gz DGQHKBQXADZHOI-OLZOCXBDSA-N 2 0 282.815 2.636 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923496856 626477136 /nfs/dbraw/zinc/47/71/36/626477136.db2.gz JXRILILNQNZKFW-KBPBESRZSA-N 2 0 294.464 2.704 20 0 CFADRP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498934 626477138 /nfs/dbraw/zinc/47/71/38/626477138.db2.gz QXACRYPEMWTJRQ-NWDGAFQWSA-N 2 0 282.815 2.765 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497372 626477184 /nfs/dbraw/zinc/47/71/84/626477184.db2.gz LGZWEMVYPPKLLY-UTUOFQBUSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CC[C@H]1C[NH3+] ZINC000923498778 626477236 /nfs/dbraw/zinc/47/72/36/626477236.db2.gz PWARSHZBGOVTCB-FFSVYQOJSA-N 2 0 262.372 2.730 20 0 CFADRP C[C@H]1C[N@H+](CCCc2cccc(F)c2)CC[C@H]1C[NH3+] ZINC000923499840 626477353 /nfs/dbraw/zinc/47/73/53/626477353.db2.gz MGQMGFJRNNXXJC-ZFWWWQNUSA-N 2 0 264.388 2.675 20 0 CFADRP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)CC[C@H]1C[NH3+] ZINC000923504692 626477593 /nfs/dbraw/zinc/47/75/93/626477593.db2.gz SYOAOYJSJWMRFF-STQMWFEESA-N 2 0 282.815 2.636 20 0 CFADRP C[C@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923505564 626477770 /nfs/dbraw/zinc/47/77/70/626477770.db2.gz BLELNQOACQQJID-QWRGUYRKSA-N 2 0 270.779 2.896 20 0 CFADRP CO[C@H]1C[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000923507011 626477884 /nfs/dbraw/zinc/47/78/84/626477884.db2.gz MUAPORWTDAECJP-YQQAZPJKSA-N 2 0 280.456 2.513 20 0 CFADRP CCO[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC000923508843 626478040 /nfs/dbraw/zinc/47/80/40/626478040.db2.gz WZVWOXOFIYQUMV-QAPCUYQASA-N 2 0 294.483 2.903 20 0 CFADRP FC(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516854 626478238 /nfs/dbraw/zinc/47/82/38/626478238.db2.gz VYFVQGNUOWXPCG-UONOGXRCSA-N 2 0 266.335 2.666 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519798 626478460 /nfs/dbraw/zinc/47/84/60/626478460.db2.gz SYRPMQJRPFDIIZ-UXLLHSPISA-N 2 0 256.393 2.605 20 0 CFADRP C(=C\[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1)\c1ccccc1 ZINC000923526987 626478557 /nfs/dbraw/zinc/47/85/57/626478557.db2.gz XIJPHERNHOBMSQ-VTFYZGIISA-N 2 0 298.430 2.543 20 0 CFADRP c1ccc(OCCCN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000923534104 626479046 /nfs/dbraw/zinc/47/90/46/626479046.db2.gz OBMICGRWVKYKAN-QGZVFWFLSA-N 2 0 274.408 2.674 20 0 CFADRP [NH3+]CC[C@H]1CN(CCC[NH+]2CCCCC2)c2ccccc21 ZINC000923554461 626479400 /nfs/dbraw/zinc/47/94/00/626479400.db2.gz HTFLGQRWRMPQLM-INIZCTEOSA-N 2 0 287.451 2.815 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923549595 626479567 /nfs/dbraw/zinc/47/95/67/626479567.db2.gz MZYJSYGBZRPFJN-INIZCTEOSA-N 2 0 268.445 2.644 20 0 CFADRP CCOC(=O)CC(C)(C)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000838847878 626510468 /nfs/dbraw/zinc/51/04/68/626510468.db2.gz CXEMWOZVMWGEQY-OAHLLOKOSA-N 2 0 298.471 2.630 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H](O)C2CC2)CC1)CC1CC1 ZINC000838910194 626513536 /nfs/dbraw/zinc/51/35/36/626513536.db2.gz PQTHXAZGKNMZNP-GOSISDBHSA-N 2 0 294.483 2.591 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760840772 626776594 /nfs/dbraw/zinc/77/65/94/626776594.db2.gz OSFFREOBIRITSV-ROUUACIJSA-N 2 0 293.499 2.669 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000760955607 626788208 /nfs/dbraw/zinc/78/82/08/626788208.db2.gz UBAXIMWAXWHLFR-GDBMZVCRSA-N 2 0 270.420 2.790 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccnc(Cl)c2)C1 ZINC000765075899 627117949 /nfs/dbraw/zinc/11/79/49/627117949.db2.gz YJKHATGXEFTCTD-VXGBXAGGSA-N 2 0 267.804 2.727 20 0 CFADRP C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)C1CCOCC1 ZINC000765253611 627126362 /nfs/dbraw/zinc/12/63/62/627126362.db2.gz HBJOQWPCRPJRCQ-DZGCQCFKSA-N 2 0 279.428 2.703 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765253016 627126530 /nfs/dbraw/zinc/12/65/30/627126530.db2.gz KOWVCFBMENBGRU-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000765332311 627131091 /nfs/dbraw/zinc/13/10/91/627131091.db2.gz IROGXMLWRCDNKQ-CABCVRRESA-N 2 0 288.435 2.558 20 0 CFADRP c1ccc2c(c1)CCN2CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000765417547 627136191 /nfs/dbraw/zinc/13/61/91/627136191.db2.gz VWFFPTRVBROBMB-UHFFFAOYSA-N 2 0 299.462 2.513 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000765428346 627137359 /nfs/dbraw/zinc/13/73/59/627137359.db2.gz RJAKBOZXLKMRMC-DLBZAZTESA-N 2 0 280.456 2.941 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000765428352 627137417 /nfs/dbraw/zinc/13/74/17/627137417.db2.gz RJAKBOZXLKMRMC-SJORKVTESA-N 2 0 280.456 2.941 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000765485905 627141560 /nfs/dbraw/zinc/14/15/60/627141560.db2.gz MIMQQMZVDUDCMX-AWEZNQCLSA-N 2 0 297.402 2.918 20 0 CFADRP Cc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000766122576 627179867 /nfs/dbraw/zinc/17/98/67/627179867.db2.gz KPTSJLFGAQOOFZ-FUHWJXTLSA-N 2 0 288.435 2.790 20 0 CFADRP CC[C@@H](COC)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766512150 627206626 /nfs/dbraw/zinc/20/66/26/627206626.db2.gz JETWVVAMCUMQLA-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCNc2ccccc2)CC1 ZINC000766516912 627207131 /nfs/dbraw/zinc/20/71/31/627207131.db2.gz YKSUDLXHXDOIGF-UHFFFAOYSA-N 2 0 261.413 2.563 20 0 CFADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000767462666 627253671 /nfs/dbraw/zinc/25/36/71/627253671.db2.gz YBJOOWAKIXWDCV-UHFFFAOYSA-N 2 0 292.467 2.944 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCSC2)C1 ZINC000769013987 627395862 /nfs/dbraw/zinc/39/58/62/627395862.db2.gz SZRVLVMMGSVQRK-ZNMIVQPWSA-N 2 0 270.486 2.840 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851887579 634572973 /nfs/dbraw/zinc/57/29/73/634572973.db2.gz XPYPOAJVDIKZMZ-MRXNPFEDSA-N 2 0 298.471 2.582 20 0 CFADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000774171157 627897985 /nfs/dbraw/zinc/89/79/85/627897985.db2.gz YIRJSPABTSAOTR-WWTUQBGBSA-N 2 0 274.408 2.538 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000779346072 628376237 /nfs/dbraw/zinc/37/62/37/628376237.db2.gz SVXWYCFMZTZILI-MRXNPFEDSA-N 2 0 290.451 2.923 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC[C@@H]1CC1(Cl)Cl)C2 ZINC000852106565 634658645 /nfs/dbraw/zinc/65/86/45/634658645.db2.gz BMCVZVBCMRVFCL-CHWSQXEVSA-N 2 0 291.266 2.988 20 0 CFADRP c1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)co1 ZINC000780781294 628496867 /nfs/dbraw/zinc/49/68/67/628496867.db2.gz KIRIONVANSIHDK-UHFFFAOYSA-N 2 0 292.423 2.604 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000852115447 634662483 /nfs/dbraw/zinc/66/24/83/634662483.db2.gz GROOQJAJXIFFMN-QZTJIDSGSA-N 2 0 288.435 2.808 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000783234215 628690511 /nfs/dbraw/zinc/69/05/11/628690511.db2.gz RDQWEZFPABVWHF-PBHICJAKSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000788479647 629073056 /nfs/dbraw/zinc/07/30/56/629073056.db2.gz YRMDFAHSRQRCFZ-INIZCTEOSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cc[nH]c(=O)c1 ZINC000788540447 629080378 /nfs/dbraw/zinc/08/03/78/629080378.db2.gz RLTPVFYQJKBOFU-ZNMIVQPWSA-N 2 0 291.439 2.806 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788672896 629090162 /nfs/dbraw/zinc/09/01/62/629090162.db2.gz SYMGPWLENVZYCQ-LSDHHAIUSA-N 2 0 291.439 2.806 20 0 CFADRP Cc1ccc(N2CCC[N@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000788734769 629095496 /nfs/dbraw/zinc/09/54/96/629095496.db2.gz YRRHNFNBPLFJHH-UHFFFAOYSA-N 2 0 287.451 2.507 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCc4ccccc43)C2)C1 ZINC000795322620 629761921 /nfs/dbraw/zinc/76/19/21/629761921.db2.gz XJWSEEVTJAKJIN-WMZOPIPTSA-N 2 0 270.420 2.744 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000796960705 629996295 /nfs/dbraw/zinc/99/62/95/629996295.db2.gz IQJQTKZXKUGOKB-UHFFFAOYSA-N 2 0 282.378 2.970 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797014353 630004222 /nfs/dbraw/zinc/00/42/22/630004222.db2.gz BWMAQTMOEQBRFV-KBXCAEBGSA-N 2 0 290.451 2.602 20 0 CFADRP Cc1ccoc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957068 630263743 /nfs/dbraw/zinc/26/37/43/630263743.db2.gz LHGSVYSOGXNXAL-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956996 630263817 /nfs/dbraw/zinc/26/38/17/630263817.db2.gz HHLLWGBXOSXKNO-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1nc(F)ccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957373 630264127 /nfs/dbraw/zinc/26/41/27/630264127.db2.gz URCAZGZXZKGALL-UHFFFAOYSA-N 2 0 291.414 2.837 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000799177029 630283577 /nfs/dbraw/zinc/28/35/77/630283577.db2.gz IJMCJJNBICFKMA-HNNXBMFYSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)n1 ZINC000852750268 634824631 /nfs/dbraw/zinc/82/46/31/634824631.db2.gz XSKZHMYXWSXSII-UONOGXRCSA-N 2 0 293.842 2.865 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852759130 634826898 /nfs/dbraw/zinc/82/68/98/634826898.db2.gz KDQCJXLUZMMSJX-INIZCTEOSA-N 2 0 268.445 2.787 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCCc2cnccc2C)C1 ZINC000809611858 631245911 /nfs/dbraw/zinc/24/59/11/631245911.db2.gz RKRAQHWIUHIVHP-INIZCTEOSA-N 2 0 275.440 2.644 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC1(F)F ZINC000840879814 631249312 /nfs/dbraw/zinc/24/93/12/631249312.db2.gz SZMQCCPKTBPLLT-JQWIXIFHSA-N 2 0 260.372 2.883 20 0 CFADRP Cc1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nn1C ZINC000840901927 631256627 /nfs/dbraw/zinc/25/66/27/631256627.db2.gz BFJDYBUAIYBANL-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP COCC(C)(C)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809737759 631275045 /nfs/dbraw/zinc/27/50/45/631275045.db2.gz JQVVPRRFDQRZIW-UHFFFAOYSA-N 2 0 278.440 2.853 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000841009134 631303689 /nfs/dbraw/zinc/30/36/89/631303689.db2.gz IRKIOCQELUALKM-IRXDYDNUSA-N 2 0 276.424 2.704 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000841032368 631312047 /nfs/dbraw/zinc/31/20/47/631312047.db2.gz SKAOVJUMMGFZFQ-UHFFFAOYSA-N 2 0 254.377 2.786 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1 ZINC000841032242 631312590 /nfs/dbraw/zinc/31/25/90/631312590.db2.gz QBVKEAZAOMFAII-UHFFFAOYSA-N 2 0 276.330 2.756 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000841057074 631324420 /nfs/dbraw/zinc/32/44/20/631324420.db2.gz HKOOTDZKQJINSS-SJLPKXTDSA-N 2 0 293.499 2.891 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1C ZINC000841060681 631325356 /nfs/dbraw/zinc/32/53/56/631325356.db2.gz AUYZPXOAEXMGPK-HIFRSBDPSA-N 2 0 262.397 2.542 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000841057754 631326354 /nfs/dbraw/zinc/32/63/54/631326354.db2.gz NGPYJSULAIZZRN-HUUCEWRRSA-N 2 0 255.365 2.594 20 0 CFADRP COc1c(C)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1C ZINC000841066056 631328886 /nfs/dbraw/zinc/32/88/86/631328886.db2.gz WNNXVLAKRAJBAQ-UHFFFAOYSA-N 2 0 262.397 2.544 20 0 CFADRP CCCCCC[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000841067861 631329748 /nfs/dbraw/zinc/32/97/48/631329748.db2.gz PZLPENXNNQPRLS-LSDHHAIUSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841080857 631333040 /nfs/dbraw/zinc/33/30/40/631333040.db2.gz QZBKINHJNMIFJZ-LBPRGKRZSA-N 2 0 262.397 2.617 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)CCCC[NH3+])cnc1Cl ZINC000841080523 631333224 /nfs/dbraw/zinc/33/32/24/631333224.db2.gz RXNPBEHGEOBUHA-NSHDSACASA-N 2 0 255.793 2.651 20 0 CFADRP CCCCn1nc(C)c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1Cl ZINC000841084444 631334161 /nfs/dbraw/zinc/33/41/61/631334161.db2.gz JKRATZHXEIYDHD-STQMWFEESA-N 2 0 298.862 2.862 20 0 CFADRP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000043532881 650018694 /nfs/dbraw/zinc/01/86/94/650018694.db2.gz LRHDGZGVJREBFO-HNNXBMFYSA-N 2 0 297.406 2.616 20 0 CFADRP C[C@H](C(=O)OCC[C@H]1CCCC[NH+]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000840235391 631586116 /nfs/dbraw/zinc/58/61/16/631586116.db2.gz JYLMMEIPQGYMAP-QKPAOTATSA-N 2 0 296.455 2.665 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H](O)c1ccc(C)cc1 ZINC000842472923 631639191 /nfs/dbraw/zinc/63/91/91/631639191.db2.gz LFHVGRVNIOSXFY-AEFFLSMTSA-N 2 0 290.451 2.740 20 0 CFADRP [NH3+]CCCCCCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000842472683 631639338 /nfs/dbraw/zinc/63/93/38/631639338.db2.gz HWCFRBCDRSOJPT-GOSISDBHSA-N 2 0 290.451 2.877 20 0 CFADRP Cc1cccc2c1CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000842472141 631639709 /nfs/dbraw/zinc/63/97/09/631639709.db2.gz SBDITGKBIJWTNR-OAHLLOKOSA-N 2 0 258.409 2.743 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000842471766 631639817 /nfs/dbraw/zinc/63/98/17/631639817.db2.gz YGPZOCQMRXMSDV-CABCVRRESA-N 2 0 258.409 2.995 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000842474858 631640983 /nfs/dbraw/zinc/64/09/83/631640983.db2.gz ZPWHGPWILMLDKU-SJLPKXTDSA-N 2 0 288.435 2.838 20 0 CFADRP C[N@H+](Cc1cccc(OC(F)F)c1)C1CCC([NH3+])CC1 ZINC000843055798 631818352 /nfs/dbraw/zinc/81/83/52/631818352.db2.gz OXNZUNYCBBSUNF-UHFFFAOYSA-N 2 0 284.350 2.990 20 0 CFADRP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CCC([NH3+])CC1 ZINC000843055848 631818647 /nfs/dbraw/zinc/81/86/47/631818647.db2.gz QJUKOHZVCRAUKL-UHFFFAOYSA-N 2 0 285.391 2.642 20 0 CFADRP C[N@H+](Cc1nccn1Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000843055604 631819435 /nfs/dbraw/zinc/81/94/35/631819435.db2.gz HQLHTEDKTWGWDG-UHFFFAOYSA-N 2 0 298.434 2.633 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000843105935 631836265 /nfs/dbraw/zinc/83/62/65/631836265.db2.gz HXPPISICDOZTOZ-UHFFFAOYSA-N 2 0 282.391 2.503 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cnc1Cl ZINC000843112311 631838445 /nfs/dbraw/zinc/83/84/45/631838445.db2.gz GQDVRXQPFVJGEY-GFCCVEGCSA-N 2 0 267.804 2.604 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000843126737 631844614 /nfs/dbraw/zinc/84/46/14/631844614.db2.gz IPKNDCAPKZUJSR-UHFFFAOYSA-N 2 0 275.318 2.709 20 0 CFADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843126525 631845787 /nfs/dbraw/zinc/84/57/87/631845787.db2.gz IDOFPBNNHWIEAU-OAHLLOKOSA-N 2 0 291.439 2.821 20 0 CFADRP c1ccc2c(c1)cncc2C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843127398 631846330 /nfs/dbraw/zinc/84/63/30/631846330.db2.gz QXQXDXZNAIEXMA-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000843127895 631848309 /nfs/dbraw/zinc/84/83/09/631848309.db2.gz RPTRZOMKXLZUJZ-WMZOPIPTSA-N 2 0 289.467 2.616 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000843339954 631930250 /nfs/dbraw/zinc/93/02/50/631930250.db2.gz FUPZMKFKVRMGSN-GVDBMIGSSA-N 2 0 288.435 2.742 20 0 CFADRP Fc1cc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000843339896 631930255 /nfs/dbraw/zinc/93/02/55/631930255.db2.gz JGNOUNXPUPZZRA-HOSYDEDBSA-N 2 0 284.325 2.582 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000843339956 631930554 /nfs/dbraw/zinc/93/05/54/631930554.db2.gz FUPZMKFKVRMGSN-YESZJQIVSA-N 2 0 288.435 2.742 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])C1(C)C ZINC000843340651 631931144 /nfs/dbraw/zinc/93/11/44/631931144.db2.gz CZMDZLLPNSNCEJ-ZIAGYGMSSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000843340583 631931190 /nfs/dbraw/zinc/93/11/90/631931190.db2.gz BYYQYRBECXBJLG-WMZOPIPTSA-N 2 0 289.467 2.758 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000843341487 631931340 /nfs/dbraw/zinc/93/13/40/631931340.db2.gz IURCNDFFFMMZCT-HRCADAONSA-N 2 0 268.445 2.690 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843340997 631931387 /nfs/dbraw/zinc/93/13/87/631931387.db2.gz BHDVDTUZWMYXFG-ZDUSSCGKSA-N 2 0 280.412 2.874 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1(Cl)Cl ZINC000843341079 631931551 /nfs/dbraw/zinc/93/15/51/631931551.db2.gz YZCWBTQALHIVCF-RVMXOQNASA-N 2 0 291.266 2.938 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000843342435 631932458 /nfs/dbraw/zinc/93/24/58/631932458.db2.gz QQPGNRDKGXZYOB-ARFHVFGLSA-N 2 0 268.445 2.690 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342790 631932579 /nfs/dbraw/zinc/93/25/79/631932579.db2.gz UMPFHYDJJFDINI-GDBMZVCRSA-N 2 0 264.413 2.871 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000843355028 631935749 /nfs/dbraw/zinc/93/57/49/631935749.db2.gz AOVSMWQIAVBFKQ-MRXNPFEDSA-N 2 0 264.413 2.937 20 0 CFADRP Clc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000843385858 631942043 /nfs/dbraw/zinc/94/20/43/631942043.db2.gz YXYVNNYGCGZTRJ-CQSZACIVSA-N 2 0 279.815 2.557 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2cnn(C)c2Cl)CC1 ZINC000815116047 632203991 /nfs/dbraw/zinc/20/39/91/632203991.db2.gz YEGCMMUJABIASY-UHFFFAOYSA-N 2 0 298.862 2.675 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)[C@H]1CC[NH3+] ZINC000844900703 632330718 /nfs/dbraw/zinc/33/07/18/632330718.db2.gz CWIVVYWJAJWLBW-GUYCJALGSA-N 2 0 274.408 2.666 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)[C@H]1CC[NH3+] ZINC000844900702 632330974 /nfs/dbraw/zinc/33/09/74/632330974.db2.gz CWIVVYWJAJWLBW-DYVFJYSZSA-N 2 0 274.408 2.666 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@]1(F)Cl ZINC000844922186 632336800 /nfs/dbraw/zinc/33/68/00/632336800.db2.gz BNRKEMOJNVGRNL-XGFWRYKXSA-N 2 0 274.811 2.669 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844926997 632339524 /nfs/dbraw/zinc/33/95/24/632339524.db2.gz YGCIZNWAAKAOGN-IJLUTSLNSA-N 2 0 279.255 2.938 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000844926944 632339667 /nfs/dbraw/zinc/33/96/67/632339667.db2.gz WVUYERKBASKMRA-NSHDSACASA-N 2 0 267.804 2.775 20 0 CFADRP C[C@H](CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCCC1 ZINC000925485590 632411606 /nfs/dbraw/zinc/41/16/06/632411606.db2.gz NXPSVCQVYSBUOJ-OWCLPIDISA-N 2 0 281.488 2.604 20 0 CFADRP CN(CC[NH+]1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000846115611 632637167 /nfs/dbraw/zinc/63/71/67/632637167.db2.gz XZVONIYLTXAMIZ-UHFFFAOYSA-N 2 0 289.467 2.666 20 0 CFADRP Cc1cc([C@@H]2CCC[N@@H+]2CCCCCC[NH3+])on1 ZINC000846218926 632663792 /nfs/dbraw/zinc/66/37/92/632663792.db2.gz ZFLXQBIKOFOKDW-ZDUSSCGKSA-N 2 0 251.374 2.639 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@@H](c2ccccc2)O1 ZINC000846217796 632664687 /nfs/dbraw/zinc/66/46/87/632664687.db2.gz BWGAOBHAUAQVKX-WBVHZDCISA-N 2 0 276.424 2.968 20 0 CFADRP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000846217883 632665040 /nfs/dbraw/zinc/66/50/40/632665040.db2.gz IARYRCLYMYUSBG-CVEARBPZSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000817893285 632719836 /nfs/dbraw/zinc/71/98/36/632719836.db2.gz DGSITUWEORLUIZ-ZENOOKHLSA-N 2 0 278.440 2.733 20 0 CFADRP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817894992 632720636 /nfs/dbraw/zinc/72/06/36/632720636.db2.gz QBSIQZSVPOTMFV-YOEHRIQHSA-N 2 0 294.439 2.614 20 0 CFADRP Cc1cccc(F)c1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817897585 632721735 /nfs/dbraw/zinc/72/17/35/632721735.db2.gz SOERENCHNKJBRI-SWLSCSKDSA-N 2 0 250.361 2.612 20 0 CFADRP C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000817897185 632722029 /nfs/dbraw/zinc/72/20/29/632722029.db2.gz GTGKSPCANBIUBG-CRAIPNDOSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817899223 632723124 /nfs/dbraw/zinc/72/31/24/632723124.db2.gz FPVKNOTVMFEKTO-XEZPLFJOSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000817901924 632726259 /nfs/dbraw/zinc/72/62/59/632726259.db2.gz ZXORKLGNQRJAMC-COXVUDFISA-N 2 0 294.414 2.760 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000817905792 632727662 /nfs/dbraw/zinc/72/76/62/632727662.db2.gz SXUHKXUJAIQMSK-IOASZLSFSA-N 2 0 282.403 2.745 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817904926 632728077 /nfs/dbraw/zinc/72/80/77/632728077.db2.gz HRQWXXPQDRDCPJ-XBVQOTNRSA-N 2 0 276.424 2.748 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000817907680 632728977 /nfs/dbraw/zinc/72/89/77/632728977.db2.gz QPUJRSZVFDQNQP-DOTOQJQBSA-N 2 0 276.424 2.871 20 0 CFADRP CC[C@H]([NH2+]CCCOc1cccc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000817907437 632729372 /nfs/dbraw/zinc/72/93/72/632729372.db2.gz OEWQGIQLQUDPEG-IRXDYDNUSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000817910353 632729669 /nfs/dbraw/zinc/72/96/69/632729669.db2.gz SEMHXXUBKGSFHJ-KBAYOESNSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817912149 632730765 /nfs/dbraw/zinc/73/07/65/632730765.db2.gz DWVXATDVUHWBLH-ABXWRUBCSA-N 2 0 282.453 2.667 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000817914398 632731827 /nfs/dbraw/zinc/73/18/27/632731827.db2.gz WCJGNILHNJIBCF-AEGPPILISA-N 2 0 280.412 2.522 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]C2CCC([NH3+])CC2)s1 ZINC000817916270 632732381 /nfs/dbraw/zinc/73/23/81/632732381.db2.gz CQFUXKMWBVCMJI-UHFFFAOYSA-N 2 0 267.442 2.701 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000817917671 632733466 /nfs/dbraw/zinc/73/34/66/632733466.db2.gz BZXINXGPOAOATI-BZUAXINKSA-N 2 0 296.455 2.573 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000817918948 632734956 /nfs/dbraw/zinc/73/49/56/632734956.db2.gz ZYGBJYCUVSUAGD-GVDBMIGSSA-N 2 0 288.435 2.607 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817922903 632735388 /nfs/dbraw/zinc/73/53/88/632735388.db2.gz OHECFLHZKYDEBP-UHOFOFEASA-N 2 0 296.842 2.525 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000817922901 632735933 /nfs/dbraw/zinc/73/59/33/632735933.db2.gz OHECFLHZKYDEBP-DAXOMENPSA-N 2 0 296.842 2.525 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817935339 632735993 /nfs/dbraw/zinc/73/59/93/632735993.db2.gz CBLQHRXFIVWARM-IVZWLZJFSA-N 2 0 253.217 2.676 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)[C@H]1CCC[NH2+]C1 ZINC000817924084 632736342 /nfs/dbraw/zinc/73/63/42/632736342.db2.gz RHPPEAMVOICHQR-WOPDTQHZSA-N 2 0 267.804 2.774 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000817923260 632736494 /nfs/dbraw/zinc/73/64/94/632736494.db2.gz VKBOVJQKQDCRPR-ZLPCBKJTSA-N 2 0 290.451 2.924 20 0 CFADRP CCC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H](O)c1ccccc1 ZINC000817926806 632737468 /nfs/dbraw/zinc/73/74/68/632737468.db2.gz AHJDMVLTHLGQIY-LUYZLQTOSA-N 2 0 264.413 2.604 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817929845 632739555 /nfs/dbraw/zinc/73/95/55/632739555.db2.gz LMSANIMGOYXRDV-LLVKDONJSA-N 2 0 255.793 2.651 20 0 CFADRP C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936413 632741970 /nfs/dbraw/zinc/74/19/70/632741970.db2.gz JZYHYQRZHMMKHF-HBNTYKKESA-N 2 0 265.228 2.691 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817938610 632742670 /nfs/dbraw/zinc/74/26/70/632742670.db2.gz OJAJANICGDBSMW-SSDOTTSWSA-N 2 0 262.184 2.575 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1cncc(F)c1 ZINC000817947975 632749292 /nfs/dbraw/zinc/74/92/92/632749292.db2.gz HOYYYDFJYISMNU-LBPRGKRZSA-N 2 0 273.355 2.573 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1(C)C ZINC000817948266 632749745 /nfs/dbraw/zinc/74/97/45/632749745.db2.gz HZDIYNIDGIENRU-SJORKVTESA-N 2 0 290.451 2.870 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C[C@@H]1OC ZINC000817948490 632749809 /nfs/dbraw/zinc/74/98/09/632749809.db2.gz KOKIBSWBFYDMGK-IRXDYDNUSA-N 2 0 290.451 2.871 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)o1 ZINC000817947776 632749834 /nfs/dbraw/zinc/74/98/34/632749834.db2.gz QRILRTJNBOBVKE-CYBMUJFWSA-N 2 0 258.365 2.940 20 0 CFADRP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817949698 632750854 /nfs/dbraw/zinc/75/08/54/632750854.db2.gz SBFHDBGCYSPHQD-CQSZACIVSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817949910 632750876 /nfs/dbraw/zinc/75/08/76/632750876.db2.gz UEKMGJLEKQHXRB-CQSZACIVSA-N 2 0 269.392 2.742 20 0 CFADRP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817955289 632754426 /nfs/dbraw/zinc/75/44/26/632754426.db2.gz VCBAAWABYLCMHW-ZJIFWQFVSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000817954942 632754655 /nfs/dbraw/zinc/75/46/55/632754655.db2.gz NHWQLLXMINBOIY-STQMWFEESA-N 2 0 250.361 2.784 20 0 CFADRP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817955288 632755003 /nfs/dbraw/zinc/75/50/03/632755003.db2.gz VCBAAWABYLCMHW-QKPAOTATSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817964598 632762861 /nfs/dbraw/zinc/76/28/61/632762861.db2.gz FNOKDDRJUUYFIB-HNNXBMFYSA-N 2 0 298.434 2.913 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000817966519 632765387 /nfs/dbraw/zinc/76/53/87/632765387.db2.gz PJQAMKTYQYCJFV-SJORKVTESA-N 2 0 258.409 2.962 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817969346 632767653 /nfs/dbraw/zinc/76/76/53/632767653.db2.gz UWBHZOYOKMKLLA-PWSUYJOCSA-N 2 0 298.228 2.637 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000817970708 632769514 /nfs/dbraw/zinc/76/95/14/632769514.db2.gz CPXMFNVVIMLWAS-OBJOEFQTSA-N 2 0 250.361 2.925 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccnc1Cl ZINC000817980044 632777182 /nfs/dbraw/zinc/77/71/82/632777182.db2.gz ILDVLWPBFCWTJS-NWDGAFQWSA-N 2 0 267.804 2.918 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817981314 632777722 /nfs/dbraw/zinc/77/77/22/632777722.db2.gz QYGHCBNTZNXAKI-AAEUAGOBSA-N 2 0 267.804 2.918 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817982076 632778687 /nfs/dbraw/zinc/77/86/87/632778687.db2.gz XEPBDLPTLNGKDG-WCQYABFASA-N 2 0 267.804 2.918 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000817984207 632781350 /nfs/dbraw/zinc/78/13/50/632781350.db2.gz OOICXWKOOJKQIA-QGZVFWFLSA-N 2 0 256.393 2.882 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccnc1Cl ZINC000817986920 632782130 /nfs/dbraw/zinc/78/21/30/632782130.db2.gz VZWRBHYHBXVBBZ-LLVKDONJSA-N 2 0 265.788 2.695 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccnc1Cl ZINC000817986846 632782222 /nfs/dbraw/zinc/78/22/22/632782222.db2.gz USANZEPWDVXTFR-QNWHQSFQSA-N 2 0 279.815 2.774 20 0 CFADRP C[C@H](C[NH2+]C[C@H](O)c1ccccc1F)C[NH+]1CCCCC1 ZINC000818969109 632917717 /nfs/dbraw/zinc/91/77/17/632917717.db2.gz LDIHDWSCYVRZSG-PBHICJAKSA-N 2 0 294.414 2.571 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000818984223 632921790 /nfs/dbraw/zinc/92/17/90/632921790.db2.gz AWMZUGYUXIGFLL-YOEHRIQHSA-N 2 0 294.414 2.569 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(C)cc2)CC1 ZINC000818990753 632924092 /nfs/dbraw/zinc/92/40/92/632924092.db2.gz NLBFQBWQNLGFMF-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000819101540 632964930 /nfs/dbraw/zinc/96/49/30/632964930.db2.gz ANEFDVFBWFEFEE-XJKSGUPXSA-N 2 0 296.430 2.733 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819132332 632977916 /nfs/dbraw/zinc/97/79/16/632977916.db2.gz AXFFBFYBRLVHAD-PMPSAXMXSA-N 2 0 296.842 2.836 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000925485884 632979327 /nfs/dbraw/zinc/97/93/27/632979327.db2.gz DZKBEEDPTJXTFJ-JKSUJKDBSA-N 2 0 279.472 2.502 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000819152528 632987049 /nfs/dbraw/zinc/98/70/49/632987049.db2.gz WFZQVEKMCBSYEI-SJLPKXTDSA-N 2 0 290.451 2.596 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000819220748 633024229 /nfs/dbraw/zinc/02/42/29/633024229.db2.gz REFADXZSXWETRE-QAPCUYQASA-N 2 0 288.435 2.577 20 0 CFADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000819366512 633132579 /nfs/dbraw/zinc/13/25/79/633132579.db2.gz RCYJBLZYHYWQIT-AEFFLSMTSA-N 2 0 290.451 2.658 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc(Cl)n2C)C1 ZINC000848527513 633277621 /nfs/dbraw/zinc/27/76/21/633277621.db2.gz BVWUFJOYCHTREE-ZDUSSCGKSA-N 2 0 298.862 2.675 20 0 CFADRP Cn1c(C[NH2+]CCCCC[NH+]2CCCCC2)cnc1Cl ZINC000848535879 633281430 /nfs/dbraw/zinc/28/14/30/633281430.db2.gz HOZUHPLUHVDHJV-UHFFFAOYSA-N 2 0 298.862 2.819 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000848556605 633288265 /nfs/dbraw/zinc/28/82/65/633288265.db2.gz APZFKMKUNBUSNU-LOWVWBTDSA-N 2 0 279.815 2.652 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)C1 ZINC000848676566 633315917 /nfs/dbraw/zinc/31/59/17/633315917.db2.gz NZWXWFZZVKBERO-GMBSWORKSA-N 2 0 298.430 2.803 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)C1 ZINC000848719114 633323966 /nfs/dbraw/zinc/32/39/66/633323966.db2.gz YJYJGIQAEHLURD-ORBLRFAASA-N 3 0 279.472 2.643 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCCCCC[NH+]2CCCC2)C1 ZINC000848720215 633324637 /nfs/dbraw/zinc/32/46/37/633324637.db2.gz UBVTWHDYDFKWGR-IRXDYDNUSA-N 3 0 281.488 2.892 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848722444 633325113 /nfs/dbraw/zinc/32/51/13/633325113.db2.gz NBNLWNVOAIMFMT-YVSFHVDLSA-N 2 0 276.424 2.604 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857252800 635957061 /nfs/dbraw/zinc/95/70/61/635957061.db2.gz DJCYXNOBDHUOCE-HBNTYKKESA-N 2 0 265.228 2.677 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCCC[NH2+]1 ZINC000857254066 635957276 /nfs/dbraw/zinc/95/72/76/635957276.db2.gz XHWYKVQPTOLYHY-AXFHLTTASA-N 2 0 265.228 2.691 20 0 CFADRP CCc1cccc(NC(=[NH2+])NCCC[NH2+]C(C)(C)C)c1 ZINC000848994043 633421649 /nfs/dbraw/zinc/42/16/49/633421649.db2.gz KOYAMDOPDKGSGT-UHFFFAOYSA-N 2 0 276.428 2.963 20 0 CFADRP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000848996058 633451316 /nfs/dbraw/zinc/45/13/16/633451316.db2.gz AZKFHNDTFXAKBM-OAHLLOKOSA-N 2 0 288.439 2.916 20 0 CFADRP Cc1cccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000848995459 633451374 /nfs/dbraw/zinc/45/13/74/633451374.db2.gz KOOAMLYGZDDPBD-AWEZNQCLSA-N 2 0 274.412 2.806 20 0 CFADRP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000849006910 633457455 /nfs/dbraw/zinc/45/74/55/633457455.db2.gz FOWIRRRCNPRQST-HNNXBMFYSA-N 2 0 280.460 2.553 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000849016846 633462465 /nfs/dbraw/zinc/46/24/65/633462465.db2.gz MRJRBJWEIBYJDM-HUUCEWRRSA-N 2 0 282.476 2.655 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCC2)cc1 ZINC000849020576 633464451 /nfs/dbraw/zinc/46/44/51/633464451.db2.gz JAECDQLCIBVSFH-UHFFFAOYSA-N 2 0 274.412 2.670 20 0 CFADRP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000849025969 633467023 /nfs/dbraw/zinc/46/70/23/633467023.db2.gz GNLIBOALRVIJAA-HNNXBMFYSA-N 2 0 280.460 2.698 20 0 CFADRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCCCC1 ZINC000849026176 633467630 /nfs/dbraw/zinc/46/76/30/633467630.db2.gz MJYGJTCXAHGZRP-MRXNPFEDSA-N 2 0 292.471 2.794 20 0 CFADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])N1CCCCCC1 ZINC000849111293 633486891 /nfs/dbraw/zinc/48/68/91/633486891.db2.gz XRNZUIAFNXSEDU-CQSZACIVSA-N 2 0 280.460 2.507 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COc3ccccc3C2)CC1(C)C ZINC000858090111 636122100 /nfs/dbraw/zinc/12/21/00/636122100.db2.gz LXCDIZOCVUUIPM-GDBMZVCRSA-N 2 0 288.435 2.700 20 0 CFADRP FC(F)(F)SCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925486535 633794182 /nfs/dbraw/zinc/79/41/82/633794182.db2.gz RMCSAUDIVIKRCK-NWDGAFQWSA-N 2 0 296.402 2.997 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1SCCS1 ZINC000853023022 634879372 /nfs/dbraw/zinc/87/93/72/634879372.db2.gz KOELXKSRSQEOLI-QWHCGFSZSA-N 2 0 286.510 2.647 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1SCCS1 ZINC000853022519 634879910 /nfs/dbraw/zinc/87/99/10/634879910.db2.gz AJAPHKOMZHHSGG-OLZOCXBDSA-N 2 0 286.510 2.647 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853240232 634948500 /nfs/dbraw/zinc/94/85/00/634948500.db2.gz NDFYPUVFDSKKSG-HYVNUMGLSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221103 635260998 /nfs/dbraw/zinc/26/09/98/635260998.db2.gz GRVQMTRJWBGODY-ZYSHUDEJSA-N 2 0 298.430 2.980 20 0 CFADRP C1=C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000854221513 635261700 /nfs/dbraw/zinc/26/17/00/635261700.db2.gz OBWKYFSPHSGAQJ-QRTARXTBSA-N 2 0 270.376 2.551 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCOc1cccnc1)c1ccccc1 ZINC000925488532 635410631 /nfs/dbraw/zinc/41/06/31/635410631.db2.gz KJSIIVUTHIXTMC-KRWDZBQOSA-N 2 0 285.391 2.530 20 0 CFADRP c1ccc2c(c1)C[C@H]2C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925488941 635548376 /nfs/dbraw/zinc/54/83/76/635548376.db2.gz HFHTXIBFOUAWIC-GOEBONIOSA-N 2 0 256.393 2.591 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CCCc3c[nH]nc32)C1 ZINC000857848363 636031428 /nfs/dbraw/zinc/03/14/28/636031428.db2.gz IDMMQXWSLVTBTF-FMKPAKJESA-N 2 0 290.455 2.745 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnc(F)c1 ZINC000858098415 636124041 /nfs/dbraw/zinc/12/40/41/636124041.db2.gz MLGIECCNBPKDLU-AWEZNQCLSA-N 2 0 279.403 2.965 20 0 CFADRP OCc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000858520455 636281677 /nfs/dbraw/zinc/28/16/77/636281677.db2.gz ACFCWWPCVIPLNU-MRXNPFEDSA-N 2 0 297.402 2.508 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(F)c2)C[C@H]1C ZINC000859155692 636476536 /nfs/dbraw/zinc/47/65/36/636476536.db2.gz OJEBYFZDVWSSKF-OCCSQVGLSA-N 2 0 265.376 2.525 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC[C@@H]2CCOC2)cc1 ZINC000859211941 636505793 /nfs/dbraw/zinc/50/57/93/636505793.db2.gz DFXRVQBTYYCPDM-GOSISDBHSA-N 2 0 290.451 2.997 20 0 CFADRP CO[C@@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCC1 ZINC000859212651 636506691 /nfs/dbraw/zinc/50/66/91/636506691.db2.gz ISJPAOJNEDPAPO-SFHVURJKSA-N 2 0 290.451 2.995 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000862274361 637306744 /nfs/dbraw/zinc/30/67/44/637306744.db2.gz KRMSYRIEUSWQIN-ZIAGYGMSSA-N 2 0 256.459 2.594 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCc2c(O)cccc2C1 ZINC000863557439 637696157 /nfs/dbraw/zinc/69/61/57/637696157.db2.gz NXCXCKPJJUJTKX-UHFFFAOYSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@H]([NH3+])C[N@H+](C)CCCCCOc1ccccc1 ZINC000863651361 637723875 /nfs/dbraw/zinc/72/38/75/637723875.db2.gz HABBAQYZZWMHIU-AWEZNQCLSA-N 2 0 250.386 2.515 20 0 CFADRP CC1(F)CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000864050097 637843608 /nfs/dbraw/zinc/84/36/08/637843608.db2.gz UWDOBGJLNKXRIF-UHFFFAOYSA-N 2 0 268.401 2.718 20 0 CFADRP FCCC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000864050152 637843707 /nfs/dbraw/zinc/84/37/07/637843707.db2.gz WPCODOPDLUQPMD-UHFFFAOYSA-N 2 0 282.428 2.965 20 0 CFADRP C[NH+](C)[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1(C)C ZINC000864090143 637870262 /nfs/dbraw/zinc/87/02/62/637870262.db2.gz AVIJGSRAFAUZGL-VXGBXAGGSA-N 2 0 287.329 2.663 20 0 CFADRP C[NH+](C)[C@H]1C[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1(C)C ZINC000864090142 637870744 /nfs/dbraw/zinc/87/07/44/637870744.db2.gz AVIJGSRAFAUZGL-RYUDHWBXSA-N 2 0 287.329 2.663 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864452070 637984796 /nfs/dbraw/zinc/98/47/96/637984796.db2.gz FKZBAEAHKLUAAR-XJKSGUPXSA-N 2 0 288.439 2.549 20 0 CFADRP CCC(CC)NC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000864458764 637988390 /nfs/dbraw/zinc/98/83/90/637988390.db2.gz RXWXVGJGGLBQSI-UHFFFAOYSA-N 2 0 294.418 2.690 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC000865450819 638342848 /nfs/dbraw/zinc/34/28/48/638342848.db2.gz GSMCEIUODCUTAX-UHFFFAOYSA-N 2 0 293.430 2.713 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865461591 638351292 /nfs/dbraw/zinc/35/12/92/638351292.db2.gz ZVNFIUXCKWILCG-NSHDSACASA-N 2 0 287.329 2.666 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865522788 638394727 /nfs/dbraw/zinc/39/47/27/638394727.db2.gz VODCLRZKJZUIQI-UHFFFAOYSA-N 2 0 285.366 2.725 20 0 CFADRP CCOc1cc(F)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000865615578 638463012 /nfs/dbraw/zinc/46/30/12/638463012.db2.gz AFOSLLXXUUZVRG-OTVXOJSOSA-N 2 0 280.387 2.654 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)CO1 ZINC000865716846 638531889 /nfs/dbraw/zinc/53/18/89/638531889.db2.gz FYJIAFKJSDCKOD-CVEARBPZSA-N 2 0 268.445 2.654 20 0 CFADRP CCn1cncc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865717040 638532999 /nfs/dbraw/zinc/53/29/99/638532999.db2.gz LZSXEHYBCKFZLH-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCCS2)CC1(C)C ZINC000865725986 638538319 /nfs/dbraw/zinc/53/83/19/638538319.db2.gz RYIZODMHQKGUIB-CHWSQXEVSA-N 2 0 256.459 2.735 20 0 CFADRP CCc1nocc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765547 638561808 /nfs/dbraw/zinc/56/18/08/638561808.db2.gz ZPWYQDMXAWNVAG-UHFFFAOYSA-N 2 0 265.401 2.590 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865788508 638575702 /nfs/dbraw/zinc/57/57/02/638575702.db2.gz TXMHOEYBVXNCFD-NEPJUHHUSA-N 2 0 296.402 2.888 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c21 ZINC000925493972 638761479 /nfs/dbraw/zinc/76/14/79/638761479.db2.gz SHCQOEQHGDAROC-ZZGLYJMHSA-N 2 0 295.430 2.605 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cccc(C)c2)C1 ZINC000866236229 638776441 /nfs/dbraw/zinc/77/64/41/638776441.db2.gz ATLAEBVRLRMIPC-WBVHZDCISA-N 2 0 260.425 2.857 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000866262908 638783428 /nfs/dbraw/zinc/78/34/28/638783428.db2.gz IKTSYKKFLDKHRL-NVXWUHKLSA-N 2 0 260.425 2.857 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000866370931 638807396 /nfs/dbraw/zinc/80/73/96/638807396.db2.gz COFJWSBUACIQDD-CQSZACIVSA-N 2 0 280.375 2.840 20 0 CFADRP C[C@H](CCc1cccnc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000866372425 638807814 /nfs/dbraw/zinc/80/78/14/638807814.db2.gz GEJZDKXZHFAYRP-NVXWUHKLSA-N 2 0 275.440 2.724 20 0 CFADRP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000866384546 638810814 /nfs/dbraw/zinc/81/08/14/638810814.db2.gz MJNMKKWTMLEBOB-OIISXLGYSA-N 2 0 260.425 2.856 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000866467865 638826225 /nfs/dbraw/zinc/82/62/25/638826225.db2.gz SGGPADOLFSDSQW-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)nn1C ZINC000866469264 638826672 /nfs/dbraw/zinc/82/66/72/638826672.db2.gz KKVKYJUPBDJXLY-HNNXBMFYSA-N 2 0 292.471 2.890 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468256 638826715 /nfs/dbraw/zinc/82/67/15/638826715.db2.gz DBTAVNHJPONAEB-CQSZACIVSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000866468657 638826809 /nfs/dbraw/zinc/82/68/09/638826809.db2.gz HOCSQRKIRFWNHT-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866509978 638832840 /nfs/dbraw/zinc/83/28/40/638832840.db2.gz HFZCSYXBMJTUMN-AEFFLSMTSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866515610 638833891 /nfs/dbraw/zinc/83/38/91/638833891.db2.gz DSCZTIGJJVTXKF-CBCUQQMYSA-N 2 0 298.471 2.959 20 0 CFADRP COC(=O)C1CCC([NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000866518306 638834431 /nfs/dbraw/zinc/83/44/31/638834431.db2.gz XEZQPMRVCMKNOU-UHFFFAOYSA-N 2 0 296.455 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000866540444 638838635 /nfs/dbraw/zinc/83/86/35/638838635.db2.gz ZOKHIJHJDZRQJS-KFGODFMUSA-N 2 0 292.467 2.512 20 0 CFADRP CC[NH+]1CCC([NH2+]CCSCCC(F)(F)F)CC1 ZINC000866540822 638838716 /nfs/dbraw/zinc/83/87/16/638838716.db2.gz DTJQYKJAZOBJJA-UHFFFAOYSA-N 2 0 284.391 2.746 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000866562997 638845470 /nfs/dbraw/zinc/84/54/70/638845470.db2.gz IKSWXQJUYFSELW-MKXGPGLRSA-N 2 0 299.462 2.636 20 0 CFADRP Cc1cc(C)c(C[N@@H+](C)C2CCC([NH3+])CC2)c(C)n1 ZINC000866661861 638862434 /nfs/dbraw/zinc/86/24/34/638862434.db2.gz VZCNYXILOKLMOL-UHFFFAOYSA-N 2 0 261.413 2.709 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCC2CC2)C1 ZINC000866668284 638863525 /nfs/dbraw/zinc/86/35/25/638863525.db2.gz BEIBQUSLFLRCOP-OAGGEKHMSA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCC2CC2)C1 ZINC000866668283 638863608 /nfs/dbraw/zinc/86/36/08/638863608.db2.gz BEIBQUSLFLRCOP-BZUAXINKSA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCC2CC2)C1 ZINC000866668286 638863844 /nfs/dbraw/zinc/86/38/44/638863844.db2.gz BEIBQUSLFLRCOP-PMPSAXMXSA-N 2 0 266.429 2.537 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866697284 638866715 /nfs/dbraw/zinc/86/67/15/638866715.db2.gz MAASAHXWEAVTOJ-UHFFFAOYSA-N 2 0 276.424 2.702 20 0 CFADRP Cc1ccncc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707615 638868843 /nfs/dbraw/zinc/86/88/43/638868843.db2.gz IVGJBGXAMCSHLY-MRXNPFEDSA-N 2 0 261.413 2.587 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709026 638869101 /nfs/dbraw/zinc/86/91/01/638869101.db2.gz UXTXHEQNCMUMNS-GOSISDBHSA-N 2 0 289.467 2.950 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nc1 ZINC000866706758 638869291 /nfs/dbraw/zinc/86/92/91/638869291.db2.gz KDEGIVINUWVJHN-MRXNPFEDSA-N 2 0 261.413 2.587 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000122122254 638941180 /nfs/dbraw/zinc/94/11/80/638941180.db2.gz AADZXIYQECUDOV-UUAJXVIYSA-N 2 0 292.467 2.797 20 0 CFADRP Cc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000080227730 650651953 /nfs/dbraw/zinc/65/19/53/650651953.db2.gz AKDNUBHNPGTLRQ-LBPRGKRZSA-N 2 0 266.454 2.919 20 0 CFADRP CC(C)C[C@@H](C)ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784569 641454658 /nfs/dbraw/zinc/45/46/58/641454658.db2.gz HLVPWFWTZNMRCJ-RLAWYHOSSA-N 2 0 267.417 2.792 20 0 CFADRP C[C@H](CN[C@@H](C)c1cc(O)ccc1F)C[NH+]1CCCC1 ZINC000872024680 641555449 /nfs/dbraw/zinc/55/54/49/641555449.db2.gz COPHFABUXIFZKI-OLZOCXBDSA-N 2 0 280.387 2.914 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000872028335 641558987 /nfs/dbraw/zinc/55/89/87/641558987.db2.gz JGSUBFIHNIZFNS-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000872067498 641598786 /nfs/dbraw/zinc/59/87/86/641598786.db2.gz QXPFSXOGSVXWBQ-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872079057 641611167 /nfs/dbraw/zinc/61/11/67/641611167.db2.gz LCBRRGKCXPVGIL-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCOC4(CCCC4)C3)ccc12 ZINC000872080042 641613515 /nfs/dbraw/zinc/61/35/15/641613515.db2.gz RXTUBMXKWDZOKJ-HNNXBMFYSA-N 2 0 285.391 2.916 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3c(o1)CCCC3)CC[NH2+]CC2 ZINC000872144061 641671578 /nfs/dbraw/zinc/67/15/78/641671578.db2.gz AYQQJTUKQCATFF-CYBMUJFWSA-N 2 0 289.423 2.517 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000872145755 641672379 /nfs/dbraw/zinc/67/23/79/641672379.db2.gz XHSWWUDGEGYIRN-JKQORVJESA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)[C@@H]1CCC[NH3+] ZINC000872145804 641672792 /nfs/dbraw/zinc/67/27/92/641672792.db2.gz ZEOSAPXISJGXPA-BZUAXINKSA-N 2 0 280.456 2.785 20 0 CFADRP c1ccc2c(c1)CC[C@]21CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000872146289 641674521 /nfs/dbraw/zinc/67/45/21/641674521.db2.gz KBZFPRHYSFRTMA-CRAIPNDOSA-N 2 0 270.420 2.576 20 0 CFADRP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155363 641675319 /nfs/dbraw/zinc/67/53/19/641675319.db2.gz KYZGXDKCSOITFB-OAHLLOKOSA-N 2 0 297.487 2.617 20 0 CFADRP Cn1c2ccccc2nc1CC[N@H+](C)CCCCCC[NH3+] ZINC000872155079 641675566 /nfs/dbraw/zinc/67/55/66/641675566.db2.gz BTZRNUPFMXBONG-UHFFFAOYSA-N 2 0 288.439 2.567 20 0 CFADRP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCCCCC[NH3+] ZINC000872155447 641675645 /nfs/dbraw/zinc/67/56/45/641675645.db2.gz RZTKUSBTMXNNKY-CYBMUJFWSA-N 2 0 295.402 2.604 20 0 CFADRP Cc1cc(C)cc(NC(=O)C[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155620 641675749 /nfs/dbraw/zinc/67/57/49/641675749.db2.gz WPPKAPNNXDXWPT-UHFFFAOYSA-N 2 0 291.439 2.693 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc(-n2cccn2)cc1 ZINC000872155715 641677948 /nfs/dbraw/zinc/67/79/48/641677948.db2.gz UFHFBENJWOAKRV-UHFFFAOYSA-N 2 0 286.423 2.823 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000872251053 641717874 /nfs/dbraw/zinc/71/78/74/641717874.db2.gz FFKLCZFDLZFLBC-INIZCTEOSA-N 2 0 276.424 2.701 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCOCC1 ZINC000872251802 641718015 /nfs/dbraw/zinc/71/80/15/641718015.db2.gz NKPYRJIGYNOBLO-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253002 641719198 /nfs/dbraw/zinc/71/91/98/641719198.db2.gz YAAHAORZMDVDII-IAGOWNOFSA-N 2 0 290.451 2.612 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000872257922 641721756 /nfs/dbraw/zinc/72/17/56/641721756.db2.gz MEMOBSCCTXKUSC-GLQYFDAESA-N 2 0 275.396 2.552 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282033 641738982 /nfs/dbraw/zinc/73/89/82/641738982.db2.gz ZPJSTQLLGRLFOG-NVXWUHKLSA-N 2 0 280.456 2.894 20 0 CFADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(Cl)cn1 ZINC000872744711 641918023 /nfs/dbraw/zinc/91/80/23/641918023.db2.gz XOEFFFPJFGTIGW-UHFFFAOYSA-N 2 0 298.862 2.794 20 0 CFADRP CCOc1cccc(F)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000873134114 642024517 /nfs/dbraw/zinc/02/45/17/642024517.db2.gz XNQYVBDDQXIXNJ-BETUJISGSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@H](c1cccnc1)[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209494 642068525 /nfs/dbraw/zinc/06/85/25/642068525.db2.gz NICITPLGKDXDMG-GFCCVEGCSA-N 2 0 287.432 2.982 20 0 CFADRP c1c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)sc2c1C[NH2+]CC2 ZINC000873209753 642069248 /nfs/dbraw/zinc/06/92/48/642069248.db2.gz PYBPCVRHVOWAHM-CYBMUJFWSA-N 2 0 299.443 2.778 20 0 CFADRP C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000873219884 642073059 /nfs/dbraw/zinc/07/30/59/642073059.db2.gz ASKISHFMMNULDX-ZZKXABKFSA-N 2 0 280.362 2.956 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2cnccc21)C1CC[NH2+]CC1 ZINC000873220291 642074028 /nfs/dbraw/zinc/07/40/28/642074028.db2.gz ITOGAGYDPPFFJI-CYBMUJFWSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C1CC[NH2+]CC1 ZINC000873220830 642074063 /nfs/dbraw/zinc/07/40/63/642074063.db2.gz UTPWVAKWRLGPHM-NSHDSACASA-N 2 0 281.469 2.918 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000873221080 642074421 /nfs/dbraw/zinc/07/44/21/642074421.db2.gz ZWFZHKVXOJNDHV-GJZGRUSLSA-N 2 0 260.425 2.843 20 0 CFADRP C[C@H]([NH2+]Cc1cncc2ccccc21)C1CC[NH2+]CC1 ZINC000873222362 642074922 /nfs/dbraw/zinc/07/49/22/642074922.db2.gz ORPVWTRHFXLZGB-ZDUSSCGKSA-N 2 0 269.392 2.713 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC1CC1)C1CC[NH2+]CC1 ZINC000873222166 642074939 /nfs/dbraw/zinc/07/49/39/642074939.db2.gz CYUMXBHEWZLEHA-AWEZNQCLSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000873222418 642075285 /nfs/dbraw/zinc/07/52/85/642075285.db2.gz RKAWFUDHCCBZRX-IBUXWKBASA-N 2 0 262.372 2.817 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)C1CC[NH2+]CC1 ZINC000873222209 642075339 /nfs/dbraw/zinc/07/53/39/642075339.db2.gz GQYWUPULRKEGEP-LBPRGKRZSA-N 2 0 298.377 2.808 20 0 CFADRP C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C1CC[NH2+]CC1 ZINC000873222325 642075401 /nfs/dbraw/zinc/07/54/01/642075401.db2.gz MQPFISZHYVQHGC-NSHDSACASA-N 2 0 279.453 2.888 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)CC2 ZINC000873221529 642075627 /nfs/dbraw/zinc/07/56/27/642075627.db2.gz VRHIALZYBLSKNV-CXAGYDPISA-N 2 0 288.435 2.530 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccs2)C1 ZINC000873223374 642076155 /nfs/dbraw/zinc/07/61/55/642076155.db2.gz KWXHBLSHYPDXJZ-CQSZACIVSA-N 2 0 252.427 2.945 20 0 CFADRP CC(C)c1cnc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)s1 ZINC000873222445 642076962 /nfs/dbraw/zinc/07/69/62/642076962.db2.gz SWUTYTVPRFZHPG-NSHDSACASA-N 2 0 267.442 2.744 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(O)c2)C1 ZINC000873224225 642078067 /nfs/dbraw/zinc/07/80/67/642078067.db2.gz XRNUTDPOQYHKJV-MRXNPFEDSA-N 2 0 262.397 2.589 20 0 CFADRP COCCC1([NH2+]Cc2ccc(Cl)cc2C)CC[NH2+]CC1 ZINC000873224992 642078216 /nfs/dbraw/zinc/07/82/16/642078216.db2.gz POZJVAAGNYZCKQ-UHFFFAOYSA-N 2 0 296.842 2.897 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCCOc1ccccc1)C2 ZINC000873228303 642079643 /nfs/dbraw/zinc/07/96/43/642079643.db2.gz CIZVPGDJZVUUSX-FUHWJXTLSA-N 2 0 288.435 2.777 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc3cc[nH]c3c2)CC[NH2+]1 ZINC000873225571 642080034 /nfs/dbraw/zinc/08/00/34/642080034.db2.gz TUQKTNZFQMJIDR-HIFRSBDPSA-N 2 0 271.408 2.988 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC[NH2+]1 ZINC000873227688 642080176 /nfs/dbraw/zinc/08/01/76/642080176.db2.gz MROIKJUFBBEQLN-CPUCHLNUSA-N 2 0 292.398 2.667 20 0 CFADRP CCCn1nc(C)c(C[N@H+](C)CCCCCC[NH3+])c1C ZINC000873231474 642084737 /nfs/dbraw/zinc/08/47/37/642084737.db2.gz KIZCSGTXTZNURW-UHFFFAOYSA-N 2 0 280.460 2.861 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC2=CCCOC2)C1)C1CCCC1 ZINC000873232288 642086410 /nfs/dbraw/zinc/08/64/10/642086410.db2.gz OKMAVPBTDIIMAJ-CRAIPNDOSA-N 2 0 292.467 2.953 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232454 642087116 /nfs/dbraw/zinc/08/71/16/642087116.db2.gz QEEAULPYPSEKHP-NVXWUHKLSA-N 3 0 295.515 2.994 20 0 CFADRP Oc1cccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232813 642087256 /nfs/dbraw/zinc/08/72/56/642087256.db2.gz NSVUMFAVYFXYTF-INIZCTEOSA-N 2 0 274.408 2.794 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000873235295 642087915 /nfs/dbraw/zinc/08/79/15/642087915.db2.gz NLKUADCXELDXEP-IKGGRYGDSA-N 2 0 260.425 2.971 20 0 CFADRP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000873241623 642090907 /nfs/dbraw/zinc/09/09/07/642090907.db2.gz HQHLRLCKNKZJHU-QLFBSQMISA-N 2 0 277.387 2.621 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000873244179 642092257 /nfs/dbraw/zinc/09/22/57/642092257.db2.gz JOZCGQHIESMKEH-CVEARBPZSA-N 2 0 276.424 2.742 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000873242174 642092303 /nfs/dbraw/zinc/09/23/03/642092303.db2.gz MNDOIBSRIKMOMD-SJORKVTESA-N 3 0 281.488 2.604 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873249306 642096173 /nfs/dbraw/zinc/09/61/73/642096173.db2.gz KNKHEGXNTIIDBU-WRFANHODSA-N 2 0 292.398 2.620 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000873252217 642097812 /nfs/dbraw/zinc/09/78/12/642097812.db2.gz QGYKITJBGWQCSI-IVMMDQJWSA-N 2 0 262.397 2.719 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CCCO2 ZINC000873251254 642098140 /nfs/dbraw/zinc/09/81/40/642098140.db2.gz KQDPAXTVFFEAMH-LZWOXQAQSA-N 2 0 274.408 2.844 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000873251787 642098144 /nfs/dbraw/zinc/09/81/44/642098144.db2.gz OFNZFZQUAZSEQH-GUTXKFCHSA-N 2 0 262.397 2.782 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251916 642098183 /nfs/dbraw/zinc/09/81/83/642098183.db2.gz YHLVMEHRASJQEJ-COPLHBTASA-N 2 0 268.351 2.613 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873251388 642098306 /nfs/dbraw/zinc/09/83/06/642098306.db2.gz LXXRDCBESLGJCV-PQEBFOHHSA-N 2 0 258.409 2.958 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cnc2ccsc2c1 ZINC000873256361 642101644 /nfs/dbraw/zinc/10/16/44/642101644.db2.gz OAJVZCFQROCKSO-NHCYSSNCSA-N 2 0 261.394 2.684 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000873256506 642102460 /nfs/dbraw/zinc/10/24/60/642102460.db2.gz NHTZZNSJXIGGAH-RGCMKSIDSA-N 2 0 292.423 2.523 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256630 642102515 /nfs/dbraw/zinc/10/25/15/642102515.db2.gz BOMGPKXCBDQDBG-GVXVVHGQSA-N 2 0 250.411 2.796 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc(OC(F)F)c1 ZINC000873257442 642102687 /nfs/dbraw/zinc/10/26/87/642102687.db2.gz HRRXIANJKXOZGR-CKYFFXLPSA-N 2 0 270.323 2.676 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC000873257024 642102703 /nfs/dbraw/zinc/10/27/03/642102703.db2.gz DAMYWICHLFBNTP-WFBYXXMGSA-N 2 0 250.773 2.654 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000873257802 642103235 /nfs/dbraw/zinc/10/32/35/642103235.db2.gz KNNJGYOJWVNGAN-XNRPHZJLSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)c(Cl)c1 ZINC000873258742 642103604 /nfs/dbraw/zinc/10/36/04/642103604.db2.gz UBJMZGSKDKWOCH-QXEWZRGKSA-N 2 0 256.752 2.867 20 0 CFADRP Fc1cncc([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)c1 ZINC000873260904 642105346 /nfs/dbraw/zinc/10/53/46/642105346.db2.gz JQHNMPKPHVLGGR-FKSAFCJBSA-N 2 0 289.398 2.792 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000873261202 642105571 /nfs/dbraw/zinc/10/55/71/642105571.db2.gz MMFXCMKYHSZPAY-FOUMNBMASA-N 2 0 265.426 2.633 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000873261909 642106340 /nfs/dbraw/zinc/10/63/40/642106340.db2.gz SXLPLLJDYYMATR-VIRABCJISA-N 2 0 290.407 2.582 20 0 CFADRP CC(C)(C)[C@H]1CC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261991 642106594 /nfs/dbraw/zinc/10/65/94/642106594.db2.gz UXDVPMUYJBAJKH-AIEDFZFUSA-N 2 0 250.430 2.931 20 0 CFADRP c1c[nH]c([C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)n1 ZINC000873263831 642107139 /nfs/dbraw/zinc/10/71/39/642107139.db2.gz LFFBYRKWELYUSK-ORQFMDKSSA-N 2 0 296.418 2.619 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000873266339 642109445 /nfs/dbraw/zinc/10/94/45/642109445.db2.gz VZYBRMGGNNUIIS-CHWSQXEVSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@@H]([NH2+]C1CCc2ccccc2CC1)C1CC[NH2+]CC1 ZINC000873268895 642111015 /nfs/dbraw/zinc/11/10/15/642111015.db2.gz ADXAILWIXVODAD-CQSZACIVSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]([NH2+][C@@H](c1cncc(F)c1)C1CC1)C1CC[NH2+]CC1 ZINC000873268260 642111192 /nfs/dbraw/zinc/11/11/92/642111192.db2.gz BDTBFUXPCFPMGQ-BDJLRTHQSA-N 2 0 277.387 2.650 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000873268462 642111254 /nfs/dbraw/zinc/11/12/54/642111254.db2.gz DPICRFTUQNBYIX-CHWSQXEVSA-N 2 0 292.471 2.985 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)C1CC[NH2+]CC1 ZINC000873268401 642111323 /nfs/dbraw/zinc/11/13/23/642111323.db2.gz WEKOWMJKKFXERD-OLZOCXBDSA-N 2 0 293.430 2.930 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)C1CC[NH2+]CC1 ZINC000873269234 642111925 /nfs/dbraw/zinc/11/19/25/642111925.db2.gz NZPZLNQHLXCSLT-MNOVXSKESA-N 2 0 267.804 2.774 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c(F)c1 ZINC000873269986 642111943 /nfs/dbraw/zinc/11/19/43/642111943.db2.gz NMDQXXLYUMJNII-RYUDHWBXSA-N 2 0 280.387 2.873 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000873271219 642112675 /nfs/dbraw/zinc/11/26/75/642112675.db2.gz FWJRCUQGGCYJOG-BBRMVZONSA-N 2 0 261.413 2.901 20 0 CFADRP CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873272172 642113609 /nfs/dbraw/zinc/11/36/09/642113609.db2.gz QACQIAZCMJCPCY-QWHCGFSZSA-N 2 0 261.413 2.683 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)CCC2 ZINC000873272641 642113613 /nfs/dbraw/zinc/11/36/13/642113613.db2.gz VXFUKWUBGYLULI-GWCFXTLKSA-N 2 0 279.453 2.807 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873281231 642116795 /nfs/dbraw/zinc/11/67/95/642116795.db2.gz HIUWAWMORXBLLW-XAJHFOFHSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1F ZINC000873289484 642121879 /nfs/dbraw/zinc/12/18/79/642121879.db2.gz IKJCOMJEEAWEIV-KGLIPLIRSA-N 2 0 292.398 2.635 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873288934 642122055 /nfs/dbraw/zinc/12/20/55/642122055.db2.gz CSVOKSRZRIOLNG-HOTGVXAUSA-N 2 0 280.456 2.870 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1F ZINC000873289485 642122388 /nfs/dbraw/zinc/12/23/88/642122388.db2.gz IKJCOMJEEAWEIV-UONOGXRCSA-N 2 0 292.398 2.635 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289501 642122489 /nfs/dbraw/zinc/12/24/89/642122489.db2.gz ITSABCQHQYXJQC-UONOGXRCSA-N 2 0 294.464 2.866 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000873291155 642123718 /nfs/dbraw/zinc/12/37/18/642123718.db2.gz UVIFXEHAAFQHDK-DOTOQJQBSA-N 2 0 288.435 2.804 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291977 642123765 /nfs/dbraw/zinc/12/37/65/642123765.db2.gz JRBWPUZJVMLYKZ-VVLHAWIVSA-N 2 0 294.483 2.950 20 0 CFADRP C([NH2+][C@H]1CCCC[C@@H]1C1CC1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294043 642125031 /nfs/dbraw/zinc/12/50/31/642125031.db2.gz SEJLZCMVVFJJQT-ZACQAIPSSA-N 2 0 292.467 2.704 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292944 642125100 /nfs/dbraw/zinc/12/51/00/642125100.db2.gz GTPOVDCXFRCWII-KGLIPLIRSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)oc1C ZINC000873294583 642126057 /nfs/dbraw/zinc/12/60/57/642126057.db2.gz XAAHFLXUEISXRP-DZGCQCFKSA-N 2 0 292.423 2.706 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295207 642126517 /nfs/dbraw/zinc/12/65/17/642126517.db2.gz BVMDQYQIDLCNGI-LHUBUQBQSA-N 2 0 273.424 2.737 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cc(C)oc2C)CC1 ZINC000125257430 642578524 /nfs/dbraw/zinc/57/85/24/642578524.db2.gz XYOGDLUTSLXUBP-UHFFFAOYSA-N 2 0 250.386 2.813 20 0 CFADRP CSC(C)(C)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000876689827 642974631 /nfs/dbraw/zinc/97/46/31/642974631.db2.gz CCGBMVDTQCZKSP-UHFFFAOYSA-N 2 0 258.475 2.792 20 0 CFADRP CCOc1cccc(F)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000876690890 642976055 /nfs/dbraw/zinc/97/60/55/642976055.db2.gz UTGCHDOGPZSVOR-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP CSC(C)(C)CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000876945785 643075038 /nfs/dbraw/zinc/07/50/38/643075038.db2.gz CAPWWMQJTKFIJO-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CC1(Cl)Cl)C[NH+]1CCCCC1 ZINC000876948494 643075143 /nfs/dbraw/zinc/07/51/43/643075143.db2.gz NAYFHCNGOXLJMK-NWDGAFQWSA-N 2 0 279.255 2.892 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000876989464 643095379 /nfs/dbraw/zinc/09/53/79/643095379.db2.gz ZUJSIZUQDJQSQV-UHFFFAOYSA-N 2 0 281.787 2.913 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877063523 643129423 /nfs/dbraw/zinc/12/94/23/643129423.db2.gz INBMTDDUEUECRV-GFCCVEGCSA-N 2 0 279.255 2.892 20 0 CFADRP Cc1cccc(C)c1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877111435 643156416 /nfs/dbraw/zinc/15/64/16/643156416.db2.gz HUGUODWWNJQZKO-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000877138005 643171996 /nfs/dbraw/zinc/17/19/96/643171996.db2.gz HCSWYUMAYWIWER-YJYMSZOUSA-N 2 0 288.372 2.561 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(OC)cnc1F ZINC000877141629 643174755 /nfs/dbraw/zinc/17/47/55/643174755.db2.gz BPFNAFKXHAJLKK-CYBMUJFWSA-N 2 0 297.418 2.829 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877181380 643192462 /nfs/dbraw/zinc/19/24/62/643192462.db2.gz BNOPJUPFXSCZEU-SNVBAGLBSA-N 2 0 265.228 2.502 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089143052 650828209 /nfs/dbraw/zinc/82/82/09/650828209.db2.gz AWROUDSMUFLGJR-WOSRLPQWSA-N 2 0 292.423 2.872 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000877479417 643295508 /nfs/dbraw/zinc/29/55/08/643295508.db2.gz UIEZVDZSIDUALE-JQWIXIFHSA-N 2 0 277.239 2.787 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000089140392 650828462 /nfs/dbraw/zinc/82/84/62/650828462.db2.gz JUBOFRJHJRLXBP-TZMCWYRMSA-N 2 0 284.350 2.895 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000089144703 650828603 /nfs/dbraw/zinc/82/86/03/650828603.db2.gz PXWHUXNVHNAJSI-WMLDXEAASA-N 2 0 276.424 2.830 20 0 CFADRP C[N@H+](CC1(C)CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525455 643330267 /nfs/dbraw/zinc/33/02/67/643330267.db2.gz DIFIOSLVHWYYLV-KRWDZBQOSA-N 2 0 293.499 2.667 20 0 CFADRP CSC(C)(C)CC[NH2+]CCCC[N@H+](C)C1CC1 ZINC000877577766 643375526 /nfs/dbraw/zinc/37/55/26/643375526.db2.gz JCLCUSZETTYDTE-UHFFFAOYSA-N 2 0 258.475 2.982 20 0 CFADRP ClC1(Cl)C[C@H]1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000877582833 643379134 /nfs/dbraw/zinc/37/91/34/643379134.db2.gz AKGQOECMUASRSY-JTQLQIEISA-N 2 0 270.163 2.618 20 0 CFADRP CSC(C)(C)CC[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000877585072 643380002 /nfs/dbraw/zinc/38/00/02/643380002.db2.gz OYQQBGAXCICMAL-ZDUSSCGKSA-N 2 0 258.475 2.840 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877584620 643380635 /nfs/dbraw/zinc/38/06/35/643380635.db2.gz IAFCDQNPVUKKPA-LBPRGKRZSA-N 2 0 281.831 2.744 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000877616390 643401841 /nfs/dbraw/zinc/40/18/41/643401841.db2.gz CCDDDYNJUQBHGP-NXHRZFHOSA-N 2 0 290.451 2.912 20 0 CFADRP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000877617721 643403306 /nfs/dbraw/zinc/40/33/06/643403306.db2.gz SYECFEKVHZBOSY-PJHJGJPPSA-N 2 0 290.388 2.639 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC000877697230 643458888 /nfs/dbraw/zinc/45/88/88/643458888.db2.gz IQDVKSYXSHQHMB-UHFFFAOYSA-N 2 0 267.442 2.743 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000877697074 643459710 /nfs/dbraw/zinc/45/97/10/643459710.db2.gz HMDXWSQXUMSFNA-INIZCTEOSA-N 2 0 266.429 2.779 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000877698311 643460503 /nfs/dbraw/zinc/46/05/03/643460503.db2.gz XCJXGAGQFXMJGO-UKRRQHHQSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718484 643482045 /nfs/dbraw/zinc/48/20/45/643482045.db2.gz KEMHEGJGUVHUSG-HOTGVXAUSA-N 2 0 272.436 2.896 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccc(F)cc1 ZINC000877738774 643504315 /nfs/dbraw/zinc/50/43/15/643504315.db2.gz CYYRLWRFMSGVFS-UNEWFSDZSA-N 2 0 276.399 2.955 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746787 643526044 /nfs/dbraw/zinc/52/60/44/643526044.db2.gz XBHBLTRWRCKSFP-IRXDYDNUSA-N 2 0 293.499 2.525 20 0 CFADRP CO[C@H]1C[C@@H](C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000877959594 643665028 /nfs/dbraw/zinc/66/50/28/643665028.db2.gz NUIHJBYHQLCUNP-HDICACEKSA-N 2 0 294.483 2.999 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968118 643670031 /nfs/dbraw/zinc/67/00/31/643670031.db2.gz JAXRESOPZTZMHT-KRWDZBQOSA-N 2 0 292.467 2.896 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878104750 643736791 /nfs/dbraw/zinc/73/67/91/643736791.db2.gz OSRPGFPWFDYPKW-CHWSQXEVSA-N 2 0 260.372 2.695 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000878105678 643737992 /nfs/dbraw/zinc/73/79/92/643737992.db2.gz BMIAVSVFIHABJZ-XDNAFOTISA-N 2 0 294.483 2.998 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)CO2)C1 ZINC000878157153 643764441 /nfs/dbraw/zinc/76/44/41/643764441.db2.gz WPCCCXHBWAGJFC-IAGOWNOFSA-N 2 0 294.483 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)C[C@@H]1C ZINC000878162290 643769678 /nfs/dbraw/zinc/76/96/78/643769678.db2.gz CYAKMNKUOQIUIF-JYJNAYRXSA-N 2 0 280.456 2.750 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878167697 643773956 /nfs/dbraw/zinc/77/39/56/643773956.db2.gz XXNMGSHBWSVINA-LSDHHAIUSA-N 2 0 282.472 2.854 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC(C)(C)CO3)CC[C@@H]21 ZINC000878196464 643788797 /nfs/dbraw/zinc/78/87/97/643788797.db2.gz BUPCUAKCNGQREW-PMPSAXMXSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CC4(CCC4)C3)CC[C@@H]21 ZINC000878198164 643790277 /nfs/dbraw/zinc/79/02/77/643790277.db2.gz UGNYUXUKVFQOHE-CVEARBPZSA-N 2 0 262.441 2.983 20 0 CFADRP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000878411713 643881234 /nfs/dbraw/zinc/88/12/34/643881234.db2.gz NLVHLXLZSAAWPM-AIANPOQGSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+]1CCC2(CCN(C/C(Cl)=C/Cl)C2)CC1 ZINC000878867556 644055795 /nfs/dbraw/zinc/05/57/95/644055795.db2.gz UWIHVNBBBFHVLI-FLIBITNWSA-N 2 0 263.212 2.723 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879243356 644188765 /nfs/dbraw/zinc/18/87/65/644188765.db2.gz JTNGWGDFCGHMOU-SQNIBIBYSA-N 2 0 288.435 2.669 20 0 CFADRP CCCC[C@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248699 644194876 /nfs/dbraw/zinc/19/48/76/644194876.db2.gz YCCLJJMVRKCIPN-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP Cc1cnccc1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250990 644194965 /nfs/dbraw/zinc/19/49/65/644194965.db2.gz NYXVVRAUDRFBTO-UHFFFAOYSA-N 2 0 287.451 2.740 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580018 644336080 /nfs/dbraw/zinc/33/60/80/644336080.db2.gz DEKGXDDSCHXXCM-OKZBNKHCSA-N 2 0 288.435 2.790 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ccccc43)CC[C@@H]21 ZINC000879580007 644337285 /nfs/dbraw/zinc/33/72/85/644337285.db2.gz DAPGZFMEWVJMMN-NUJGCVRESA-N 2 0 270.420 2.742 20 0 CFADRP CC(C)C[N@H+](CCc1cccnc1)CC1CC[NH+](C)CC1 ZINC000879702924 644388416 /nfs/dbraw/zinc/38/84/16/644388416.db2.gz ACUDXFXWRNPXNP-UHFFFAOYSA-N 2 0 289.467 2.924 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734246 644401519 /nfs/dbraw/zinc/40/15/19/644401519.db2.gz GYSSQGQNIDHGPG-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734247 644401977 /nfs/dbraw/zinc/40/19/77/644401977.db2.gz GYSSQGQNIDHGPG-HUUCEWRRSA-N 2 0 266.429 2.552 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002466 644492555 /nfs/dbraw/zinc/49/25/55/644492555.db2.gz KWUCBMFQAHMKKS-VXGBXAGGSA-N 2 0 264.335 2.745 20 0 CFADRP COC1(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCC1 ZINC000880259066 644617645 /nfs/dbraw/zinc/61/76/45/644617645.db2.gz MBYGFKTXZJBOCY-HNNXBMFYSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@@H]1C[N@H+](CCCOC(C)(C)C)CCN1c1cc[nH+]cc1 ZINC000880263016 644618350 /nfs/dbraw/zinc/61/83/50/644618350.db2.gz VUTUEKDPVGGMSG-OAHLLOKOSA-N 2 0 291.439 2.797 20 0 CFADRP C[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CCN1c1cc[nH+]cc1 ZINC000880262583 644618618 /nfs/dbraw/zinc/61/86/18/644618618.db2.gz PQQFVSFEKLCSJF-LSDHHAIUSA-N 2 0 257.381 2.701 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000094950071 650965938 /nfs/dbraw/zinc/96/59/38/650965938.db2.gz TYLFXYTUSUZCHY-UHFFFAOYSA-N 2 0 264.388 2.608 20 0 CFADRP c1cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(C2CC2)c1 ZINC000250085262 650971084 /nfs/dbraw/zinc/97/10/84/650971084.db2.gz SRMMMAFBAAISQS-ROUUACIJSA-N 2 0 286.419 2.517 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[NH+]1CCCCC1 ZINC000251117098 650983985 /nfs/dbraw/zinc/98/39/85/650983985.db2.gz QEJFLOPCFCTTLO-XMTFNYHQSA-N 2 0 293.499 2.761 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882915335 645509704 /nfs/dbraw/zinc/50/97/04/645509704.db2.gz NHWDRDFWICKEDU-HNNXBMFYSA-N 2 0 288.435 2.581 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(C[C@H](O)c2cccc(Cl)c2)C1 ZINC000304343277 651022447 /nfs/dbraw/zinc/02/24/47/651022447.db2.gz ZKRCAWQRPJCFJM-CJNGLKHVSA-N 2 0 296.842 2.647 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883014673 645563085 /nfs/dbraw/zinc/56/30/85/645563085.db2.gz XPZOKIXPTLXJQP-KYHPRHEASA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc2c1CCOC2 ZINC000883158079 645631293 /nfs/dbraw/zinc/63/12/93/645631293.db2.gz UFHKBOIIINRTID-UHFFFAOYSA-N 2 0 290.451 2.827 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252934081 651029585 /nfs/dbraw/zinc/02/95/85/651029585.db2.gz DKXJDUPZIMPLMP-JHJVBQTASA-N 2 0 256.459 2.638 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)N1CC[NH+](C)CC1 ZINC000883169747 645637583 /nfs/dbraw/zinc/63/75/83/645637583.db2.gz CEKHJBJTUIIHMA-IRXDYDNUSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCSC2)C1 ZINC000131150251 645637780 /nfs/dbraw/zinc/63/77/80/645637780.db2.gz NREJTPRVSGWIRQ-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)CO2)CC1(C)C ZINC000883242611 645690129 /nfs/dbraw/zinc/69/01/29/645690129.db2.gz MARKZPUWMISUIY-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000883256654 645701219 /nfs/dbraw/zinc/70/12/19/645701219.db2.gz DXLIYUHFZRMGNN-RWMBFGLXSA-N 2 0 272.383 2.884 20 0 CFADRP C=C/C=C/CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000883260663 645705976 /nfs/dbraw/zinc/70/59/76/645705976.db2.gz BMGWPSZNCJBGEU-AATRIKPKSA-N 2 0 274.408 2.849 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000131584019 645755059 /nfs/dbraw/zinc/75/50/59/645755059.db2.gz IRTPLUDQDZKPJR-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000883412180 645807152 /nfs/dbraw/zinc/80/71/52/645807152.db2.gz SKQWOJQXVZFCRU-KRWDZBQOSA-N 2 0 258.409 2.997 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883416467 645808989 /nfs/dbraw/zinc/80/89/89/645808989.db2.gz VRCAZQRUICSSAY-CGTJXYLNSA-N 2 0 288.435 2.968 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883415694 645809304 /nfs/dbraw/zinc/80/93/04/645809304.db2.gz BZQLXWYIUOSFSW-RYQLBKOJSA-N 2 0 288.435 2.838 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883416369 645809521 /nfs/dbraw/zinc/80/95/21/645809521.db2.gz SYNBZTGBACDLRJ-STQMWFEESA-N 2 0 260.372 2.743 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)C[NH3+] ZINC000883417648 645811227 /nfs/dbraw/zinc/81/12/27/645811227.db2.gz INYXFQLUUKDKHN-HOTGVXAUSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC[C@@H]1[NH3+] ZINC000883417643 645811507 /nfs/dbraw/zinc/81/15/07/645811507.db2.gz IJVJTSRJCUIAJH-IWCQGFGOSA-N 2 0 274.408 2.576 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC[C@H]1[NH3+] ZINC000883417858 645812685 /nfs/dbraw/zinc/81/26/85/645812685.db2.gz POQZNZDDBCVSFD-BZZMCLGOSA-N 2 0 288.435 2.966 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@H]21 ZINC000883425468 645819655 /nfs/dbraw/zinc/81/96/55/645819655.db2.gz VGCBIDQSFQJUMO-AAVRWANBSA-N 2 0 272.383 2.871 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883428741 645822028 /nfs/dbraw/zinc/82/20/28/645822028.db2.gz BKJOIGALIXRTDP-OWCLPIDISA-N 2 0 294.483 2.902 20 0 CFADRP CN(C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H](C[NH3+])C1CC1 ZINC000883428183 645822718 /nfs/dbraw/zinc/82/27/18/645822718.db2.gz NLJJNRMLDZWMJF-YESZJQIVSA-N 2 0 274.408 2.576 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C(C)(C)O1 ZINC000883429633 645823275 /nfs/dbraw/zinc/82/32/75/645823275.db2.gz ANYVJUALWWFHOK-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000883430334 645823782 /nfs/dbraw/zinc/82/37/82/645823782.db2.gz SGIOTPCZPIUJCT-JYJNAYRXSA-N 2 0 278.440 2.552 20 0 CFADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883429702 645823959 /nfs/dbraw/zinc/82/39/59/645823959.db2.gz BUELQZSLISOSRW-ZIAGYGMSSA-N 2 0 272.383 2.887 20 0 CFADRP FC(F)(F)OCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429085 645824632 /nfs/dbraw/zinc/82/46/32/645824632.db2.gz KZICDJZLSKJTNL-CHWSQXEVSA-N 2 0 294.361 2.625 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000883429971 645824670 /nfs/dbraw/zinc/82/46/70/645824670.db2.gz KKIXWBIMEDXBBA-AAVRWANBSA-N 2 0 268.445 2.556 20 0 CFADRP CN(C[C@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)[NH3+] ZINC000883434782 645828012 /nfs/dbraw/zinc/82/80/12/645828012.db2.gz AVNRVDOKIWYAFL-HUUCEWRRSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CCC3)O1)CC[NH2+]CC2 ZINC000883433883 645828123 /nfs/dbraw/zinc/82/81/23/645828123.db2.gz AWAUGKKVDGNHKI-LSDHHAIUSA-N 2 0 278.440 2.552 20 0 CFADRP C(C[N@@H+]1CCCC[C@H](C2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000883462593 645845457 /nfs/dbraw/zinc/84/54/57/645845457.db2.gz UYSNHIHRMFGXMF-WMZOPIPTSA-N 2 0 294.483 2.905 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000305114811 651049736 /nfs/dbraw/zinc/04/97/36/651049736.db2.gz HNMBXNPAMGGPEC-CXAGYDPISA-N 2 0 294.414 2.712 20 0 CFADRP CCc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)cc[nH+]1 ZINC000884853638 646560339 /nfs/dbraw/zinc/56/03/39/646560339.db2.gz SOSCOZAJPXUAGI-CQSZACIVSA-N 2 0 282.391 2.754 20 0 CFADRP CCc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc[nH+]1 ZINC000884853637 646560468 /nfs/dbraw/zinc/56/04/68/646560468.db2.gz SOSCOZAJPXUAGI-AWEZNQCLSA-N 2 0 282.391 2.754 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000885923067 646769985 /nfs/dbraw/zinc/76/99/85/646769985.db2.gz PEGYVPAJKLKSTE-ZDUSSCGKSA-N 2 0 278.444 2.771 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](OC)CC2)C1 ZINC000885953969 646781244 /nfs/dbraw/zinc/78/12/44/646781244.db2.gz KNTMFQHZULDHHW-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](OC)CC2)C1 ZINC000885953971 646781543 /nfs/dbraw/zinc/78/15/43/646781543.db2.gz KNTMFQHZULDHHW-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](OC)CC2)C1 ZINC000885953972 646781671 /nfs/dbraw/zinc/78/16/71/646781671.db2.gz KNTMFQHZULDHHW-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCSC(F)(F)F)CC1 ZINC000885958852 646783879 /nfs/dbraw/zinc/78/38/79/646783879.db2.gz NDBGSUMBHAWCFA-UHFFFAOYSA-N 2 0 270.364 2.513 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CCOC2CCCCC2)C1 ZINC000886025756 646825991 /nfs/dbraw/zinc/82/59/91/646825991.db2.gz JHEVKDVPCYQOLJ-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CCOC2CCCCC2)C1 ZINC000886030534 646830000 /nfs/dbraw/zinc/83/00/00/646830000.db2.gz MVRVZQIDWKWMGW-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886032766 646830926 /nfs/dbraw/zinc/83/09/26/646830926.db2.gz NMRMVQYWTOBATL-DLBZAZTESA-N 2 0 280.456 2.750 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000886091550 646862183 /nfs/dbraw/zinc/86/21/83/646862183.db2.gz COYRLCIOHUEPTD-QZTJIDSGSA-N 2 0 288.435 2.607 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000886091552 646862760 /nfs/dbraw/zinc/86/27/60/646862760.db2.gz COYRLCIOHUEPTD-ZWKOTPCHSA-N 2 0 288.435 2.607 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)CC1 ZINC000886171889 646906314 /nfs/dbraw/zinc/90/63/14/646906314.db2.gz QUDXTLXFWQRIGS-DJIMGWMZSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CC[C@@H](C4CC4)O3)C2)CC1 ZINC000886185714 646911794 /nfs/dbraw/zinc/91/17/94/646911794.db2.gz FGLNTFGAYBUHNE-IRXDYDNUSA-N 2 0 292.467 2.752 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000886312239 646964010 /nfs/dbraw/zinc/96/40/10/646964010.db2.gz XTFPDEYLPZAVSQ-HZPDHXFCSA-N 2 0 292.398 2.593 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1C[C@@]12CCOC2 ZINC000886319446 646967820 /nfs/dbraw/zinc/96/78/20/646967820.db2.gz FDBDNPXQBNVCAP-DLBZAZTESA-N 2 0 280.456 2.611 20 0 CFADRP C[NH+](CC1CC1)[C@H]1CC[C@H]([N@H+](C)CC2CC2)CC1 ZINC000886391962 646994772 /nfs/dbraw/zinc/99/47/72/646994772.db2.gz JWLLKRDHNXVGHE-WKILWMFISA-N 2 0 250.430 2.981 20 0 CFADRP CN(C)C(C)(C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886489461 647017040 /nfs/dbraw/zinc/01/70/40/647017040.db2.gz IZUSKHPBIZNJPX-UHFFFAOYSA-N 2 0 281.488 2.713 20 0 CFADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000886503849 647021806 /nfs/dbraw/zinc/02/18/06/647021806.db2.gz HTYQDXXGZXKXDY-XHSDSOJGSA-N 2 0 296.455 2.572 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000886507686 647023408 /nfs/dbraw/zinc/02/34/08/647023408.db2.gz VGTWRNQYKQYKGQ-DOTOQJQBSA-N 2 0 292.471 2.829 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886516454 647026156 /nfs/dbraw/zinc/02/61/56/647026156.db2.gz ILFKEQZSZZPCAP-YZUHTNEWSA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886524922 647028884 /nfs/dbraw/zinc/02/88/84/647028884.db2.gz UEHYPUOAKDARRD-GPANFISMSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cn[nH]c1 ZINC000886556477 647045980 /nfs/dbraw/zinc/04/59/80/647045980.db2.gz CRBDYDWJUVRGHZ-JEYLPNPQSA-N 2 0 276.428 2.857 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000886605100 647063281 /nfs/dbraw/zinc/06/32/81/647063281.db2.gz JMYFGIAWCPXWQI-UHFFFAOYSA-N 2 0 291.483 2.635 20 0 CFADRP CC[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000886612377 647067094 /nfs/dbraw/zinc/06/70/94/647067094.db2.gz JVXHJKQYFIPRCU-HWOWSKLDSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](CCO)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886616101 647070024 /nfs/dbraw/zinc/07/00/24/647070024.db2.gz UYZFTNVNRXLZSU-KLAILNCOSA-N 2 0 282.472 2.782 20 0 CFADRP CCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)COC1 ZINC000886620447 647071447 /nfs/dbraw/zinc/07/14/47/647071447.db2.gz KIUPEOXDPLQENE-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCc4cccnc43)ccc12 ZINC000886623965 647074234 /nfs/dbraw/zinc/07/42/34/647074234.db2.gz UUWRAGLGRKCQIZ-HNNXBMFYSA-N 2 0 264.332 2.506 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)[C@@H](C)C1 ZINC000886693720 647115362 /nfs/dbraw/zinc/11/53/62/647115362.db2.gz GZQZHGZQNXQNTP-IAODNVIUSA-N 2 0 250.430 2.598 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCSC)CC1 ZINC000886711078 647118753 /nfs/dbraw/zinc/11/87/53/647118753.db2.gz MQNQJDGAZWZUFN-UHFFFAOYSA-N 2 0 256.459 2.690 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC000886716044 647120125 /nfs/dbraw/zinc/12/01/25/647120125.db2.gz MPLYBSHGGOPEKY-GJZGRUSLSA-N 2 0 266.429 2.504 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2OC)[C@H](C)C1 ZINC000886721656 647122606 /nfs/dbraw/zinc/12/26/06/647122606.db2.gz GHMXKAFRFPQJJM-CZUORRHYSA-N 2 0 294.414 2.697 20 0 CFADRP FC(F)(F)SCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000886837872 647158256 /nfs/dbraw/zinc/15/82/56/647158256.db2.gz OHXGNRVXKAHKLS-NSHDSACASA-N 2 0 282.375 2.561 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CCC3)CO1)CC[NH2+]CC2 ZINC000886839304 647158293 /nfs/dbraw/zinc/15/82/93/647158293.db2.gz BELHVLDCSIJLEH-CVEARBPZSA-N 2 0 292.467 2.800 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)CC2)C1 ZINC000886840287 647159498 /nfs/dbraw/zinc/15/94/98/647159498.db2.gz YPZRHONHFJCDPW-VSZNYVQBSA-N 2 0 292.467 2.641 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886840185 647159720 /nfs/dbraw/zinc/15/97/20/647159720.db2.gz VKWJIDGJTORPJO-GHMZBOCLSA-N 2 0 282.375 2.561 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886841306 647160184 /nfs/dbraw/zinc/16/01/84/647160184.db2.gz HTUFERXIRYKFQS-UYTYNIKBSA-N 2 0 292.467 2.783 20 0 CFADRP c1ccc(COCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886874794 647166517 /nfs/dbraw/zinc/16/65/17/647166517.db2.gz WXIZDYUYRPGQJB-SFHVURJKSA-N 2 0 288.435 2.669 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)c(C)c1)C[C@H]1CCC[NH2+]C1 ZINC000886880736 647166937 /nfs/dbraw/zinc/16/69/37/647166937.db2.gz AWIMNUBKQKAWOO-SFHVURJKSA-N 2 0 290.451 2.751 20 0 CFADRP COCC[N@H+](CCn1ccnc1)Cc1ccc(C)c(C)c1 ZINC000887110485 647217291 /nfs/dbraw/zinc/21/72/91/647217291.db2.gz RSRCLPLFZOFYHQ-UHFFFAOYSA-N 2 0 287.407 2.649 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CCCC[NH+](C)C ZINC000222902974 647323068 /nfs/dbraw/zinc/32/30/68/647323068.db2.gz CBXLKYBPNWPBBX-ZDUSSCGKSA-N 2 0 252.377 2.688 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925494837 647845618 /nfs/dbraw/zinc/84/56/18/647845618.db2.gz LKNHWYXJRBEAQZ-OWCLPIDISA-N 2 0 281.488 2.602 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925498992 647872015 /nfs/dbraw/zinc/87/20/15/647872015.db2.gz LGIFHVOHCDUIDB-HOTGVXAUSA-N 2 0 274.408 2.623 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCC(C)C)CC1 ZINC000924561454 647995907 /nfs/dbraw/zinc/99/59/07/647995907.db2.gz WNNPQZAZDWESMP-KRWDZBQOSA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+]1CCC(N[C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000924568977 647996586 /nfs/dbraw/zinc/99/65/86/647996586.db2.gz CWXMSQDLPAMDMC-ZDUSSCGKSA-N 2 0 276.428 2.743 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000924584323 648001169 /nfs/dbraw/zinc/00/11/69/648001169.db2.gz VXEUQWPEJVXLGD-VKJFTORMSA-N 2 0 288.435 2.795 20 0 CFADRP CC[C@@H](NCCC[N@H+](C)C(C)C)c1cccc(OC)n1 ZINC000924617133 648009197 /nfs/dbraw/zinc/00/91/97/648009197.db2.gz JEXZQHDHUSUSBP-CQSZACIVSA-N 2 0 279.428 2.861 20 0 CFADRP CC(C)C[C@@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)N(C)C ZINC000924629981 648012356 /nfs/dbraw/zinc/01/23/56/648012356.db2.gz UXWOHXDIELHGNA-IRXDYDNUSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000924647479 648018275 /nfs/dbraw/zinc/01/82/75/648018275.db2.gz JUBYCUBGWAWHJQ-SWLSCSKDSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000924647475 648018603 /nfs/dbraw/zinc/01/86/03/648018603.db2.gz JUBYCUBGWAWHJQ-IUODEOHRSA-N 2 0 250.430 2.885 20 0 CFADRP CSC1CC([NH2+]CCCC[NH+]2CCC(C)CC2)C1 ZINC000924681578 648025846 /nfs/dbraw/zinc/02/58/46/648025846.db2.gz PILSFDRSGPJPFJ-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)CO1 ZINC000924683119 648025906 /nfs/dbraw/zinc/02/59/06/648025906.db2.gz FFTWTAHEOQYBPA-UZROPOIGSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnnc1 ZINC000924681620 648025916 /nfs/dbraw/zinc/02/59/16/648025916.db2.gz PQYPVNWUCKIMSJ-HNNXBMFYSA-N 2 0 276.428 2.639 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)C1CC1 ZINC000924715493 648033462 /nfs/dbraw/zinc/03/34/62/648033462.db2.gz GTUDASXINYUVAO-KBAYOESNSA-N 2 0 287.451 2.723 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000924722308 648036088 /nfs/dbraw/zinc/03/60/88/648036088.db2.gz RXUAFIHTSHBEJB-BPQIPLTHSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924752175 648041328 /nfs/dbraw/zinc/04/13/28/648041328.db2.gz FKXYTJRZTWBOKU-WMLDXEAASA-N 2 0 278.440 2.806 20 0 CFADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C(C)C ZINC000924801527 648050830 /nfs/dbraw/zinc/05/08/30/648050830.db2.gz XWTBEVRQSUQSOT-WTXIUTQJSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000924829849 648055621 /nfs/dbraw/zinc/05/56/21/648055621.db2.gz SRKHHPCZVZEHDS-WMLDXEAASA-N 2 0 276.424 2.651 20 0 CFADRP CC(C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924860629 648061974 /nfs/dbraw/zinc/06/19/74/648061974.db2.gz CVUHFUHBNKIJFE-RHSMWYFYSA-N 2 0 278.440 2.806 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924949728 648077031 /nfs/dbraw/zinc/07/70/31/648077031.db2.gz HGPFDMCGAYRAHJ-MRXNPFEDSA-N 2 0 293.499 2.572 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000924953891 648077941 /nfs/dbraw/zinc/07/79/41/648077941.db2.gz FKMPLSCVVHLSAK-OOHWJJMZSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924955633 648078268 /nfs/dbraw/zinc/07/82/68/648078268.db2.gz PTOPDVHPXSUJDV-CQSZACIVSA-N 2 0 290.455 2.991 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924956170 648078385 /nfs/dbraw/zinc/07/83/85/648078385.db2.gz UKSBSCQMEMCDNW-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@H](C)c2nonc2C)c1 ZINC000924962079 648081310 /nfs/dbraw/zinc/08/13/10/648081310.db2.gz ZKFPBWBIPPAGSA-GFCCVEGCSA-N 2 0 288.395 2.681 20 0 CFADRP C[C@@H](NCC[N@H+](C)C1CCCC1)c1cn2c(n1)CCCC2 ZINC000924971497 648083083 /nfs/dbraw/zinc/08/30/83/648083083.db2.gz CSTSNRBYLBCBIO-CQSZACIVSA-N 2 0 290.455 2.744 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925034040 648091969 /nfs/dbraw/zinc/09/19/69/648091969.db2.gz PNPLAWYNOKHALK-QGZVFWFLSA-N 2 0 284.488 2.884 20 0 CFADRP CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925046314 648094045 /nfs/dbraw/zinc/09/40/45/648094045.db2.gz PIRDHAIGSBHDOI-ZQIUZPCESA-N 2 0 278.440 2.806 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000925048662 648094454 /nfs/dbraw/zinc/09/44/54/648094454.db2.gz JSLLYAKNVIDTFI-FVQHAEBGSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]1CCCCN1CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925050023 648095360 /nfs/dbraw/zinc/09/53/60/648095360.db2.gz CBFPFCAGDMLAFQ-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000925137135 648114594 /nfs/dbraw/zinc/11/45/94/648114594.db2.gz SKIVVEMHGGEKLD-ORIJERBGSA-N 2 0 294.464 2.756 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000925150162 648117419 /nfs/dbraw/zinc/11/74/19/648117419.db2.gz GRIICMKZPZPHEC-ROUUACIJSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[N@H+](CC)CCNC1CC[NH+](CCC(C)C)CC1 ZINC000925204074 648131370 /nfs/dbraw/zinc/13/13/70/648131370.db2.gz KEFIHWPDTZCHGZ-UHFFFAOYSA-N 2 0 283.504 2.818 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000925299199 648152599 /nfs/dbraw/zinc/15/25/99/648152599.db2.gz YHPGPEZQFXZNDR-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000925483246 648180194 /nfs/dbraw/zinc/18/01/94/648180194.db2.gz XVAPRKYOIHHGSX-CVEARBPZSA-N 2 0 262.397 2.625 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925482622 648180229 /nfs/dbraw/zinc/18/02/29/648180229.db2.gz WKURWPYNNWITRS-CVEARBPZSA-N 2 0 274.408 2.833 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925488365 648182045 /nfs/dbraw/zinc/18/20/45/648182045.db2.gz SJGCFVILNBIIGH-JKSUJKDBSA-N 2 0 279.472 2.515 20 0 CFADRP c1ccc([C@@H](CN[C@@H]2CC[NH2+]C23CCC3)[NH+]2CCCC2)cc1 ZINC000925491524 648182127 /nfs/dbraw/zinc/18/21/27/648182127.db2.gz DFPPFACFULGIJB-QZTJIDSGSA-N 2 0 299.462 2.698 20 0 CFADRP C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)CC[NH+]1CCCCC1 ZINC000925488076 648182146 /nfs/dbraw/zinc/18/21/46/648182146.db2.gz PTYJBOXFMISJIZ-MRXNPFEDSA-N 3 0 279.472 2.517 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925490985 648182469 /nfs/dbraw/zinc/18/24/69/648182469.db2.gz BUMCUVQEGZWCTE-IKGGRYGDSA-N 2 0 288.435 2.604 20 0 CFADRP CN(CCCC[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925495691 648183154 /nfs/dbraw/zinc/18/31/54/648183154.db2.gz RBARQRBLEROVEH-MRXNPFEDSA-N 2 0 275.440 2.633 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]C3(C)C)c21 ZINC000925494786 648183399 /nfs/dbraw/zinc/18/33/99/648183399.db2.gz VRNHGBRWWSGRSK-HNNXBMFYSA-N 2 0 271.408 2.749 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925493630 648183443 /nfs/dbraw/zinc/18/34/43/648183443.db2.gz LWIMKORANXNSRL-HZPDHXFCSA-N 3 0 281.488 2.604 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925506366 648188841 /nfs/dbraw/zinc/18/88/41/648188841.db2.gz WLRQNEANAYPZOS-BFHYXJOUSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000925507492 648189861 /nfs/dbraw/zinc/18/98/61/648189861.db2.gz CBIQRAGWVWHIPX-NVXWUHKLSA-N 2 0 289.467 2.929 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925508374 648190336 /nfs/dbraw/zinc/19/03/36/648190336.db2.gz FYKLXICERWKXPW-YESZJQIVSA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)C ZINC000925509729 648190613 /nfs/dbraw/zinc/19/06/13/648190613.db2.gz ORFTWVMXNGYYKB-LSDHHAIUSA-N 2 0 269.477 2.601 20 0 CFADRP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925510684 648191326 /nfs/dbraw/zinc/19/13/26/648191326.db2.gz ZWCFQDBIQJZQKW-BPNCWPANSA-N 2 0 279.428 2.718 20 0 CFADRP CC1(C)[C@H]([NH2+]CCOc2ccccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510533 648191651 /nfs/dbraw/zinc/19/16/51/648191651.db2.gz WNTOHQDVQJJGCH-UHOFOFEASA-N 2 0 292.398 2.571 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C12CCCC2 ZINC000925514739 648193391 /nfs/dbraw/zinc/19/33/91/648193391.db2.gz BSECNPDEGIPQRZ-APIJFGDWSA-N 2 0 278.440 2.584 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCN1CCc2ccccc21 ZINC000925515594 648193915 /nfs/dbraw/zinc/19/39/15/648193915.db2.gz FWXJSPHGUXAKFK-GIOYIUAESA-N 2 0 299.462 2.545 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925516395 648194599 /nfs/dbraw/zinc/19/45/99/648194599.db2.gz SMLNBSDJXPZKPN-BYCMXARLSA-N 2 0 294.826 2.967 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CCCc3ccccc32)C12CCC2 ZINC000925520434 648196643 /nfs/dbraw/zinc/19/66/43/648196643.db2.gz VQBOYOKEFYWDEI-OIISXLGYSA-N 2 0 270.420 2.966 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)s1 ZINC000925519734 648196828 /nfs/dbraw/zinc/19/68/28/648196828.db2.gz VTISXWMZJUFWMW-NWDGAFQWSA-N 2 0 267.442 2.756 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2OCCc3sccc32)C1 ZINC000925520951 648197408 /nfs/dbraw/zinc/19/74/08/648197408.db2.gz BNYUOAZPOMQIBN-YRGRVCCFSA-N 2 0 294.464 2.858 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000925520796 648197418 /nfs/dbraw/zinc/19/74/18/648197418.db2.gz SPZBCOQMMHEYKH-HUUCEWRRSA-N 2 0 264.388 2.864 20 0 CFADRP CC(C)C[C@H](CN[C@@H](c1ccccc1)[C@@H](C)[NH3+])[NH+](C)C ZINC000925535093 648204792 /nfs/dbraw/zinc/20/47/92/648204792.db2.gz BRMJOHKAEWSKCN-DJIMGWMZSA-N 2 0 277.456 2.641 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925537266 648205356 /nfs/dbraw/zinc/20/53/56/648205356.db2.gz WHLSHPYONCSACB-JKSUJKDBSA-N 2 0 274.408 2.833 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000925535407 648205452 /nfs/dbraw/zinc/20/54/52/648205452.db2.gz GESJXTBKEZATLY-ILDUYXDCSA-N 2 0 264.335 2.838 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925547633 648211504 /nfs/dbraw/zinc/21/15/04/648211504.db2.gz CIJFBNGYAJRBRE-BGTYHANMSA-N 2 0 299.462 2.632 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925552100 648213156 /nfs/dbraw/zinc/21/31/56/648213156.db2.gz GXDVHPNPHUJSOP-HOTGVXAUSA-N 2 0 279.472 2.515 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCCS1)c1ccccc1 ZINC000925552410 648213617 /nfs/dbraw/zinc/21/36/17/648213617.db2.gz KQCIDGRSGURQGL-GJZGRUSLSA-N 2 0 264.438 2.952 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cs1 ZINC000925563817 648218592 /nfs/dbraw/zinc/21/85/92/648218592.db2.gz FNNJIOAPHORXFK-OLZOCXBDSA-N 2 0 279.453 2.669 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925563677 648218932 /nfs/dbraw/zinc/21/89/32/648218932.db2.gz VCZPPXLXJLHYEQ-INIZCTEOSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)n1 ZINC000925565855 648219891 /nfs/dbraw/zinc/21/98/91/648219891.db2.gz AKKUJAVNDVOMEY-CYBMUJFWSA-N 2 0 279.453 2.648 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(F)c1 ZINC000925581621 648226703 /nfs/dbraw/zinc/22/67/03/648226703.db2.gz UCMLVADJUUDHCH-QWHCGFSZSA-N 2 0 280.387 2.830 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc(C2CC2)cs1 ZINC000925584997 648227513 /nfs/dbraw/zinc/22/75/13/648227513.db2.gz RBIMICZWLFPJOW-QOARYFPJSA-N 2 0 277.437 2.626 20 0 CFADRP CS[C@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925585614 648228230 /nfs/dbraw/zinc/22/82/30/648228230.db2.gz HVDOYDRSFPOZME-OCCSQVGLSA-N 2 0 252.427 2.808 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2[C@H](C)COC[C@H]2C)C1 ZINC000925587169 648228624 /nfs/dbraw/zinc/22/86/24/648228624.db2.gz GPOZMIWGBWOQHP-BZUAXINKSA-N 2 0 282.472 2.615 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCC(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925603938 648236507 /nfs/dbraw/zinc/23/65/07/648236507.db2.gz GLLOVZBGHJHKLC-ZJUUUORDSA-N 2 0 252.324 2.825 20 0 CFADRP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925604666 648236624 /nfs/dbraw/zinc/23/66/24/648236624.db2.gz MRAOAFREHCBDHC-TUVASFSCSA-N 2 0 268.445 2.543 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCN[C@@H]3C)CC2)CC1 ZINC000925607447 648237721 /nfs/dbraw/zinc/23/77/21/648237721.db2.gz QDRHFYGMYBAMDA-AQEOSJORSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[NH+]1CCCCC1 ZINC000925612069 648238504 /nfs/dbraw/zinc/23/85/04/648238504.db2.gz HXEYFNDDORJACO-BPQIPLTHSA-N 2 0 293.499 2.619 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C[C@@H]([NH3+])C1 ZINC000925609227 648238926 /nfs/dbraw/zinc/23/89/26/648238926.db2.gz QXTUOKWYBCSSRC-XUJVJEKNSA-N 2 0 274.408 2.875 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925614127 648240255 /nfs/dbraw/zinc/24/02/55/648240255.db2.gz AQGYUEIKKQNUPL-SJORKVTESA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925618350 648241291 /nfs/dbraw/zinc/24/12/91/648241291.db2.gz ZREKSFOFZBPERA-XFIYOXNOSA-N 2 0 280.456 2.556 20 0 CFADRP c1ccc(CC2(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925616570 648241822 /nfs/dbraw/zinc/24/18/22/648241822.db2.gz NGPCBLHTIUORER-NNPSNHGLSA-N 2 0 282.431 2.595 20 0 CFADRP COc1cccc(C(C)(C)CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000925621215 648243593 /nfs/dbraw/zinc/24/35/93/648243593.db2.gz GBSHSLYPNWHURC-HNNXBMFYSA-N 2 0 276.424 2.703 20 0 CFADRP COc1cccc(C(C)(C)CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925620981 648243640 /nfs/dbraw/zinc/24/36/40/648243640.db2.gz DZVFQERZZTVQGN-MRXNPFEDSA-N 2 0 288.435 2.847 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925622069 648244376 /nfs/dbraw/zinc/24/43/76/648244376.db2.gz OJRZXFKXJWZMSE-OWCLPIDISA-N 2 0 293.499 2.616 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925624425 648244768 /nfs/dbraw/zinc/24/47/68/648244768.db2.gz XKDXCWZOVHXVEY-HZPDHXFCSA-N 2 0 282.472 2.543 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925623079 648245379 /nfs/dbraw/zinc/24/53/79/648245379.db2.gz RBKGUSOMKHTQGH-YMAMQOFZSA-N 2 0 266.429 2.597 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627598 648247474 /nfs/dbraw/zinc/24/74/74/648247474.db2.gz WJTRNHKVJPFZIC-XFIYOXNOSA-N 2 0 294.483 2.946 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)c21 ZINC000925630106 648249537 /nfs/dbraw/zinc/24/95/37/648249537.db2.gz QXPVWXQXNJKUHX-CVEARBPZSA-N 2 0 299.418 2.579 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925632820 648251458 /nfs/dbraw/zinc/25/14/58/648251458.db2.gz BDNQRZWNHFQBPQ-UONOGXRCSA-N 2 0 256.434 2.687 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000925633553 648251810 /nfs/dbraw/zinc/25/18/10/648251810.db2.gz FFIHLHULXFWSEH-DGCLKSJQSA-N 2 0 267.804 2.731 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C[C@@H]([NH3+])C1 ZINC000925633557 648252341 /nfs/dbraw/zinc/25/23/41/648252341.db2.gz FFIHLHULXFWSEH-YPMHNXCESA-N 2 0 267.804 2.731 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(C[NH+](C)C)c1 ZINC000925634828 648252451 /nfs/dbraw/zinc/25/24/51/648252451.db2.gz LMVLUHSDHZXPEC-OLZOCXBDSA-N 2 0 272.396 2.883 20 0 CFADRP C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1cn[nH]c1 ZINC000925634827 648252641 /nfs/dbraw/zinc/25/26/41/648252641.db2.gz LMVLUHSDHZXPEC-CHWSQXEVSA-N 2 0 272.396 2.883 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2COC3(CCCCC3)O2)C[C@@H]([NH3+])C1 ZINC000925637297 648254745 /nfs/dbraw/zinc/25/47/45/648254745.db2.gz ZBACXUJLUGZBGN-ILXRZTDVSA-N 2 0 296.455 2.558 20 0 CFADRP CS[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925637159 648255186 /nfs/dbraw/zinc/25/51/86/648255186.db2.gz IJMUGKPNKNJDRJ-RYUDHWBXSA-N 2 0 256.459 2.638 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925638905 648255668 /nfs/dbraw/zinc/25/56/68/648255668.db2.gz HJJQKSLSUUOLQV-OPRDCNLKSA-N 2 0 250.308 2.577 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925638904 648256093 /nfs/dbraw/zinc/25/60/93/648256093.db2.gz HJJQKSLSUUOLQV-KXUCPTDWSA-N 2 0 250.308 2.577 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925638270 648256377 /nfs/dbraw/zinc/25/63/77/648256377.db2.gz AGDWDERNXXRYHG-HOTGVXAUSA-N 2 0 282.472 2.807 20 0 CFADRP C[C@@H](CO)CCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925641006 648257373 /nfs/dbraw/zinc/25/73/73/648257373.db2.gz XNIGGBZQTRFYFK-HUUCEWRRSA-N 2 0 278.440 2.807 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925641833 648258405 /nfs/dbraw/zinc/25/84/05/648258405.db2.gz PBOIKVINLZNHMP-QYXWGXCQSA-N 2 0 292.467 2.558 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925645280 648259203 /nfs/dbraw/zinc/25/92/03/648259203.db2.gz PFGGVZCQYIZJHD-OEAJRASXSA-N 2 0 250.430 2.933 20 0 CFADRP C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925655104 648263591 /nfs/dbraw/zinc/26/35/91/648263591.db2.gz PSODZVNHEYGDBV-SJORKVTESA-N 2 0 291.483 2.658 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925653943 648264258 /nfs/dbraw/zinc/26/42/58/648264258.db2.gz COEFGWBKVZPRFS-CABCVRRESA-N 2 0 276.449 2.811 20 0 CFADRP CSc1ccc(CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925658741 648266408 /nfs/dbraw/zinc/26/64/08/648266408.db2.gz ZMBSTHAURZBTQG-XSIBGMEISA-N 2 0 288.460 2.537 20 0 CFADRP C[C@@H](N)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662440 648268641 /nfs/dbraw/zinc/26/86/41/648268641.db2.gz ZYGQNJHAHYCCLP-RDTXWAMCSA-N 2 0 287.451 2.539 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C12CCC2 ZINC000925663452 648268965 /nfs/dbraw/zinc/26/89/65/648268965.db2.gz SNZANAUCKUEDNU-UTUOFQBUSA-N 2 0 258.356 2.671 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)C1 ZINC000925668107 648271010 /nfs/dbraw/zinc/27/10/10/648271010.db2.gz USPYOIGHISNMOH-GJZGRUSLSA-N 2 0 286.423 2.601 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925669787 648271867 /nfs/dbraw/zinc/27/18/67/648271867.db2.gz XRFCDFFUYOGNDT-STQMWFEESA-N 2 0 256.434 2.545 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2COc3ccccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925669866 648271909 /nfs/dbraw/zinc/27/19/09/648271909.db2.gz XYYFICJSZPPINT-YVVXQTMVSA-N 2 0 286.419 2.529 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925670667 648272370 /nfs/dbraw/zinc/27/23/70/648272370.db2.gz NEUXRXMPHMTPCX-HYVNUMGLSA-N 2 0 299.462 2.870 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925677289 648275112 /nfs/dbraw/zinc/27/51/12/648275112.db2.gz SEMNBSIBMMIRNH-UXLLHSPISA-N 2 0 277.456 2.785 20 0 CFADRP CN1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925687081 648279983 /nfs/dbraw/zinc/27/99/83/648279983.db2.gz FHSNIALHHJVINK-UAGQMJEPSA-N 2 0 285.435 2.817 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1 ZINC000925687363 648280641 /nfs/dbraw/zinc/28/06/41/648280641.db2.gz JKWNUJXEBBSBQQ-WBVHZDCISA-N 2 0 276.424 2.873 20 0 CFADRP COCC1(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925696086 648284467 /nfs/dbraw/zinc/28/44/67/648284467.db2.gz YXGWBDRNYMZJNN-KBPBESRZSA-N 2 0 268.445 2.689 20 0 CFADRP CCSC1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925704223 648287273 /nfs/dbraw/zinc/28/72/73/648287273.db2.gz CSZABJGKINHGRT-VXGBXAGGSA-N 2 0 256.459 2.768 20 0 CFADRP C1[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[C@@H]1C1CCC1 ZINC000925706968 648288824 /nfs/dbraw/zinc/28/88/24/648288824.db2.gz PTSKSRQNUUUMKM-MWDXBVQZSA-N 2 0 262.441 2.933 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000925708147 648289257 /nfs/dbraw/zinc/28/92/57/648289257.db2.gz FSKNXDDFKSBGCU-FUCKSNOFSA-N 2 0 270.420 2.896 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000925716838 648294550 /nfs/dbraw/zinc/29/45/50/648294550.db2.gz QVSBYBLLMVAEHV-GVDBMIGSSA-N 2 0 293.499 2.604 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)C12CCC2 ZINC000925723044 648297954 /nfs/dbraw/zinc/29/79/54/648297954.db2.gz QNGFJNLVQXKPSD-ILXRZTDVSA-N 2 0 278.440 2.585 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000925726818 648299807 /nfs/dbraw/zinc/29/98/07/648299807.db2.gz WLDNFKGBNDNEGL-KFKAGJAMSA-N 2 0 297.446 2.625 20 0 CFADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925731194 648301078 /nfs/dbraw/zinc/30/10/78/648301078.db2.gz SEUKHEDBWMMKQI-HRCADAONSA-N 2 0 280.456 2.559 20 0 CFADRP CCC[C@@H](C)CC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000925733395 648301600 /nfs/dbraw/zinc/30/16/00/648301600.db2.gz ICLAAEAYAAASKZ-HUUCEWRRSA-N 2 0 298.471 2.724 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CC1(C)C ZINC000925734299 648302477 /nfs/dbraw/zinc/30/24/77/648302477.db2.gz QECMRQGZRPBDIP-BDJLRTHQSA-N 2 0 261.413 2.936 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925734570 648302735 /nfs/dbraw/zinc/30/27/35/648302735.db2.gz AVTSIPIEICCNAR-AVGNSLFASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925734572 648303651 /nfs/dbraw/zinc/30/36/51/648303651.db2.gz AVTSIPIEICCNAR-FRRDWIJNSA-N 2 0 260.372 2.932 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000925738339 648304652 /nfs/dbraw/zinc/30/46/52/648304652.db2.gz QKKZMHKHICHPPQ-LSDHHAIUSA-N 2 0 276.424 2.950 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000925738337 648304760 /nfs/dbraw/zinc/30/47/60/648304760.db2.gz QKKZMHKHICHPPQ-HUUCEWRRSA-N 2 0 276.424 2.950 20 0 CFADRP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)OCCCO2 ZINC000925741024 648305714 /nfs/dbraw/zinc/30/57/14/648305714.db2.gz NDHIPRHUKYEACD-LBPRGKRZSA-N 2 0 278.396 2.626 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000925760038 648311707 /nfs/dbraw/zinc/31/17/07/648311707.db2.gz NNVGACCZZCOWOQ-KBPBESRZSA-N 2 0 268.445 2.782 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925774014 648317550 /nfs/dbraw/zinc/31/75/50/648317550.db2.gz JLXINVXAEHPEIX-IUODEOHRSA-N 2 0 291.439 2.705 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC1(C)C ZINC000925778731 648320123 /nfs/dbraw/zinc/32/01/23/648320123.db2.gz UXKBODOSTKGNPX-UTUOFQBUSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925781168 648321065 /nfs/dbraw/zinc/32/10/65/648321065.db2.gz XLOPBJIBOSRNHR-STQMWFEESA-N 2 0 268.351 2.890 20 0 CFADRP COCCC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925784742 648323176 /nfs/dbraw/zinc/32/31/76/648323176.db2.gz KLFMWVOQDZYEFH-UKPHBRMFSA-N 2 0 294.414 2.739 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925787865 648323975 /nfs/dbraw/zinc/32/39/75/648323975.db2.gz VYVHLKSKJPSANT-IPYPFGDCSA-N 2 0 272.392 2.809 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000925790633 648324749 /nfs/dbraw/zinc/32/47/49/648324749.db2.gz JJQWFVMTMBZEPX-UHIISALHSA-N 2 0 280.412 2.808 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925797492 648326320 /nfs/dbraw/zinc/32/63/20/648326320.db2.gz HQVSGDQNZSPTRA-SUYBPPKGSA-N 2 0 274.408 2.518 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000925794509 648326760 /nfs/dbraw/zinc/32/67/60/648326760.db2.gz FKCPCRDCWRLBQY-IIAWOOMASA-N 2 0 274.408 2.736 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000925799149 648327162 /nfs/dbraw/zinc/32/71/62/648327162.db2.gz MHSSJCNCPQJASE-KBRIMQKVSA-N 2 0 288.435 2.908 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000925799618 648327402 /nfs/dbraw/zinc/32/74/02/648327402.db2.gz VUYBLQVRZMZFGV-ZTFGCOKTSA-N 2 0 272.436 2.843 20 0 CFADRP CCC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccnc1 ZINC000925803124 648328385 /nfs/dbraw/zinc/32/83/85/648328385.db2.gz MFGARJBGHKFJMC-IIAWOOMASA-N 2 0 261.413 2.758 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809403 648330654 /nfs/dbraw/zinc/33/06/54/648330654.db2.gz UVECJKMMEXHWDY-CRAIPNDOSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809416 648331039 /nfs/dbraw/zinc/33/10/39/648331039.db2.gz VAQMYLPCQGLWMO-CYBMUJFWSA-N 2 0 278.444 2.929 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000925811037 648331282 /nfs/dbraw/zinc/33/12/82/648331282.db2.gz BUEOHGURGZTCLA-FGTMMUONSA-N 2 0 295.430 2.755 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc21 ZINC000925813748 648331597 /nfs/dbraw/zinc/33/15/97/648331597.db2.gz WJDFOKCHPMRXFG-ARFHVFGLSA-N 2 0 298.434 2.584 20 0 CFADRP [NH3+]C1CCC([NH2+]CCc2ccc3ncccc3c2)CC1 ZINC000925815113 648332201 /nfs/dbraw/zinc/33/22/01/648332201.db2.gz TVGLREKNYBWUOQ-UHFFFAOYSA-N 2 0 269.392 2.637 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000925825304 648334914 /nfs/dbraw/zinc/33/49/14/648334914.db2.gz CWUXKEQEIGXRKI-KBMXLJTQSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000925826032 648334948 /nfs/dbraw/zinc/33/49/48/648334948.db2.gz KWQPXIVTJGXTNM-UXIGCNINSA-N 2 0 266.360 2.565 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925847312 648343016 /nfs/dbraw/zinc/34/30/16/648343016.db2.gz UJVKPKWNSQMKAO-NUEKZKHPSA-N 2 0 259.397 2.573 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925861433 648348166 /nfs/dbraw/zinc/34/81/66/648348166.db2.gz PSPPIKRWDZNPMT-IHRRRGAJSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000925861471 648348344 /nfs/dbraw/zinc/34/83/44/648348344.db2.gz QDKXIPUOZUUODG-MJBXVCDLSA-N 2 0 268.470 2.782 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2OCCc3ccccc32)C1 ZINC000925873908 648351459 /nfs/dbraw/zinc/35/14/59/648351459.db2.gz NEYQFCGOSWFVNP-INMHGKMJSA-N 2 0 274.408 2.550 20 0 CFADRP Cn1nc(C2CC2)cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925874923 648352457 /nfs/dbraw/zinc/35/24/57/648352457.db2.gz XHVRSYJLDNHDPK-QGZVFWFLSA-N 2 0 298.434 2.867 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000925879566 648353792 /nfs/dbraw/zinc/35/37/92/648353792.db2.gz IAYOIXWYAARAJF-BYCMXARLSA-N 2 0 282.815 2.745 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)[C@@H]1OC ZINC000925882998 648354459 /nfs/dbraw/zinc/35/44/59/648354459.db2.gz QVEUDQGORZCZTO-ZQNQSHIBSA-N 2 0 268.445 2.543 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000925882289 648354591 /nfs/dbraw/zinc/35/45/91/648354591.db2.gz KCPFOYHPRXWKRW-IMSIIYSGSA-N 2 0 266.335 2.669 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@H](C)C2 ZINC000925882342 648354838 /nfs/dbraw/zinc/35/48/38/648354838.db2.gz LAMZDJLCXOEBEV-LNCBFAARSA-N 2 0 258.409 2.945 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCCCC2)C1 ZINC000925888450 648357445 /nfs/dbraw/zinc/35/74/45/648357445.db2.gz SWGHPWGBIVGULG-CALCHBBNSA-N 2 0 258.409 2.968 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000925893902 648358221 /nfs/dbraw/zinc/35/82/21/648358221.db2.gz SALHHURFHFYZHQ-BBRMVZONSA-N 2 0 289.423 2.601 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccns1 ZINC000926116154 648408322 /nfs/dbraw/zinc/40/83/22/648408322.db2.gz YLSDWLYSFUDHKH-NSHDSACASA-N 2 0 253.415 2.526 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000926115612 648408480 /nfs/dbraw/zinc/40/84/80/648408480.db2.gz VTUAIJLZZIBCOE-MRXNPFEDSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](CC[NH2+]C1[C@H](C)COC[C@H]1C)[NH+]1CCCCC1 ZINC000926140597 648414750 /nfs/dbraw/zinc/41/47/50/648414750.db2.gz CYXMNEDCKRFYLK-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926169112 648423693 /nfs/dbraw/zinc/42/36/93/648423693.db2.gz YNOUCTYWMXOEFQ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000926224604 648440158 /nfs/dbraw/zinc/44/01/58/648440158.db2.gz IUJOOTCIQRDKQT-WBVHZDCISA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc(C[NH+](C)C)c1 ZINC000926230023 648442074 /nfs/dbraw/zinc/44/20/74/648442074.db2.gz XTQMOGDSUDSKGY-LESCRADOSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccns1 ZINC000926308726 648459701 /nfs/dbraw/zinc/45/97/01/648459701.db2.gz PDIXIUXWSDTUEV-NSHDSACASA-N 2 0 265.426 2.668 20 0 CFADRP CSC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000926316215 648460728 /nfs/dbraw/zinc/46/07/28/648460728.db2.gz LZPNIOMNWPSGGK-UHFFFAOYSA-N 2 0 270.486 2.982 20 0 CFADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926338231 648466186 /nfs/dbraw/zinc/46/61/86/648466186.db2.gz XIFYDLSOOUPBAP-FCCDEINASA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000926339039 648466605 /nfs/dbraw/zinc/46/66/05/648466605.db2.gz ZGMSFJSQFWFGRD-KRWDZBQOSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1(C)C ZINC000926358145 648471724 /nfs/dbraw/zinc/47/17/24/648471724.db2.gz VHBYSJSNNWFLDF-HZPDHXFCSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH2+]CCC1(O)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926377445 648475414 /nfs/dbraw/zinc/47/54/14/648475414.db2.gz ATYVLNTWYTYWPS-AWEZNQCLSA-N 2 0 276.424 2.704 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000926409411 648479251 /nfs/dbraw/zinc/47/92/51/648479251.db2.gz XBZOPJMHRMYQPK-UKRRQHHQSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926473488 648500567 /nfs/dbraw/zinc/50/05/67/648500567.db2.gz HLXPISBLYRCKFI-XJKCOSOUSA-N 2 0 262.397 2.576 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000926518365 648516743 /nfs/dbraw/zinc/51/67/43/648516743.db2.gz HKOPVMLPZZNERD-AYLPWXGPSA-N 2 0 277.239 2.500 20 0 CFADRP Cc1noc(C)c1[C@@H](C)[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926559090 648534035 /nfs/dbraw/zinc/53/40/35/648534035.db2.gz LWRBOUFISROERM-LLVKDONJSA-N 2 0 265.401 2.816 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926562393 648534495 /nfs/dbraw/zinc/53/44/95/648534495.db2.gz AKFAQQYWJVILTP-XYPHTWIQSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C1(Br)CC1 ZINC000926565791 648535523 /nfs/dbraw/zinc/53/55/23/648535523.db2.gz BRTDTXHSAUTSPL-JTQLQIEISA-N 2 0 294.196 2.740 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCOC34CCCCC4)ccc12 ZINC000926568214 648536311 /nfs/dbraw/zinc/53/63/11/648536311.db2.gz RDSMSJODMNDGPN-MRXNPFEDSA-N 2 0 285.391 2.916 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc2c1OCO2 ZINC000926573552 648539251 /nfs/dbraw/zinc/53/92/51/648539251.db2.gz NLIPARLWVSVJBL-UONOGXRCSA-N 2 0 290.407 2.798 20 0 CFADRP Cc1nc2c(o1)CCC[C@H]2[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926608308 648550183 /nfs/dbraw/zinc/55/01/83/648550183.db2.gz ZAHYBHJODXVLNG-JXQTWKCFSA-N 2 0 277.412 2.823 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926716528 648588600 /nfs/dbraw/zinc/58/86/00/648588600.db2.gz UIQJSPNJAHZSFF-YJBOKZPZSA-N 2 0 289.467 2.883 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)CO1 ZINC000926737258 648596646 /nfs/dbraw/zinc/59/66/46/648596646.db2.gz DTQKQSHHUNGMCR-WSDZMALLSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000926753841 648602176 /nfs/dbraw/zinc/60/21/76/648602176.db2.gz KNDUDOXSZBDSEU-QGZVFWFLSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000926754175 648602519 /nfs/dbraw/zinc/60/25/19/648602519.db2.gz MPIJRIQLVVAOGK-ARFHVFGLSA-N 2 0 270.461 2.638 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000926752878 648602609 /nfs/dbraw/zinc/60/26/09/648602609.db2.gz DAKZNGDMGHQEIP-RHSMWYFYSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1nonc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000926790878 648616840 /nfs/dbraw/zinc/61/68/40/648616840.db2.gz MZWCJMYWAHCJGQ-GFCCVEGCSA-N 2 0 280.416 2.539 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000926792022 648617893 /nfs/dbraw/zinc/61/78/93/648617893.db2.gz VIVLDOQTXAJXNX-OFQRWUPVSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000926822668 648627916 /nfs/dbraw/zinc/62/79/16/648627916.db2.gz PLJXFHQURIJRSI-MRXNPFEDSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000926822667 648628461 /nfs/dbraw/zinc/62/84/61/648628461.db2.gz PLJXFHQURIJRSI-INIZCTEOSA-N 2 0 282.472 2.902 20 0 CFADRP C([NH2+][C@H]1CCCN2CCCC[C@H]12)[C@H]1CCC2(CCC2)O1 ZINC000926859540 648636231 /nfs/dbraw/zinc/63/62/31/648636231.db2.gz HVMNVNMPGWHMNX-OWCLPIDISA-N 2 0 278.440 2.695 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC[N@@H+]1C ZINC000927018154 648684369 /nfs/dbraw/zinc/68/43/69/648684369.db2.gz OHFAXZMCYQIVRG-KFWWJZLASA-N 2 0 266.429 2.551 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCS[C@H](C)C2)CC1 ZINC000927030064 648688651 /nfs/dbraw/zinc/68/86/51/648688651.db2.gz HFFGSDTZQDWEII-TZMCWYRMSA-N 2 0 256.459 2.735 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnn(C)c1 ZINC000927037198 648689828 /nfs/dbraw/zinc/68/98/28/648689828.db2.gz HYAOAFCFBYRADY-CGZBRXJRSA-N 2 0 290.455 2.868 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038940 648690461 /nfs/dbraw/zinc/69/04/61/648690461.db2.gz SJMBWXLHFNRKLT-BDYLLLIDSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(c3ccccc3)CCCO2)CC[N@@H+]1C ZINC000927115199 648717070 /nfs/dbraw/zinc/71/70/70/648717070.db2.gz KZFJLRGRNSJUBQ-NXHRZFHOSA-N 2 0 288.435 2.765 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)[C@H](C)C1 ZINC000927120619 648719380 /nfs/dbraw/zinc/71/93/80/648719380.db2.gz VRXXLRDRJHXLPS-TVFCKZIOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H](c1ccc(F)nc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929327721 649031797 /nfs/dbraw/zinc/03/17/97/649031797.db2.gz MOAXKUFDDKFOMC-CYBMUJFWSA-N 2 0 279.403 2.945 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000929470887 649055374 /nfs/dbraw/zinc/05/53/74/649055374.db2.gz QYAHTKGWCWORDY-ZSHCYNCHSA-N 2 0 282.472 2.995 20 0 CFADRP Cc1cc(C)nc(CN2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000929969550 649157219 /nfs/dbraw/zinc/15/72/19/649157219.db2.gz MWRAOTCVWOHKPQ-OAHLLOKOSA-N 2 0 261.413 2.661 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCC(C)(F)F)C2 ZINC000930602354 649284499 /nfs/dbraw/zinc/28/44/99/649284499.db2.gz QVAKUOATGCLIGW-AWEZNQCLSA-N 2 0 260.372 2.840 20 0 CFADRP C[N@@H+]1CC[C@@H]2CN(Cc3cc(-c4ccccc4)on3)C[C@@H]2C1 ZINC000931432228 649425216 /nfs/dbraw/zinc/42/52/16/649425216.db2.gz ZBZVCYIDJGKJHK-CVEARBPZSA-N 2 0 297.402 2.725 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(CF)cc3)C[C@@H]2C1 ZINC000931435832 649426979 /nfs/dbraw/zinc/42/69/79/649426979.db2.gz HFXPJGUFEZTJBD-CVEARBPZSA-N 2 0 262.372 2.540 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccc3Cl)C[C@@H]2C1 ZINC000931434046 649427024 /nfs/dbraw/zinc/42/70/24/649427024.db2.gz NLQDKJKLYHHZJH-CABCVRRESA-N 2 0 278.827 2.766 20 0 CFADRP C[C@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)C1 ZINC000931438437 649427365 /nfs/dbraw/zinc/42/73/65/649427365.db2.gz KMQSTORURMAGPX-YHUYYLMFSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H](C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)CC(C)(C)C ZINC000931442668 649428429 /nfs/dbraw/zinc/42/84/29/649428429.db2.gz LJXPUNRJQCGIJQ-QLFBSQMISA-N 2 0 252.446 2.942 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484514 649439493 /nfs/dbraw/zinc/43/94/93/649439493.db2.gz VCOXESVWGYTOAN-CYBMUJFWSA-N 2 0 296.842 2.790 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(CC[NH+]2CCCC2)CC1 ZINC000931683210 649470473 /nfs/dbraw/zinc/47/04/73/649470473.db2.gz HQFINOHUWLXYHM-UHFFFAOYSA-N 2 0 293.499 2.813 20 0 CFADRP C[C@H]1C[N@H+](CCCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000931685140 649471599 /nfs/dbraw/zinc/47/15/99/649471599.db2.gz ZPOWKSUGFZCUEQ-INIZCTEOSA-N 2 0 296.418 2.620 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000931717750 649478456 /nfs/dbraw/zinc/47/84/56/649478456.db2.gz BQMHJPHKTYRKPI-JKSUJKDBSA-N 2 0 269.392 2.836 20 0 CFADRP CC[C@@H](CC(F)F)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931718340 649478479 /nfs/dbraw/zinc/47/84/79/649478479.db2.gz PBSSVPZVARAGOS-XQQFMLRXSA-N 2 0 260.372 2.836 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933737255 649718295 /nfs/dbraw/zinc/71/82/95/649718295.db2.gz OWIAGQULGAMJKX-FUHWJXTLSA-N 2 0 288.435 2.511 20 0 CFADRP CCc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000933740535 649718620 /nfs/dbraw/zinc/71/86/20/649718620.db2.gz KCVGZQNTWVJNKK-ZWKOTPCHSA-N 2 0 272.436 2.675 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933739549 649718802 /nfs/dbraw/zinc/71/88/02/649718802.db2.gz XWZRAPKXSUCAPJ-HLLBOEOZSA-N 2 0 258.409 2.940 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696810 649816584 /nfs/dbraw/zinc/81/65/84/649816584.db2.gz UZFCVOOURPCBAM-HZPDHXFCSA-N 2 0 259.397 2.607 20 0 CFADRP CC(C)Oc1cc[nH+]c(N2CCC(C[NH+](C)C)CC2)c1 ZINC001165042543 721946345 /nfs/dbraw/zinc/94/63/45/721946345.db2.gz UKZYWNRHLOWZSH-UHFFFAOYSA-N 2 0 277.412 2.647 20 0 CFADRP CC[NH+](CC)C1CCN(c2cc3[nH]ccc3c[nH+]2)CC1 ZINC001165052309 722001144 /nfs/dbraw/zinc/00/11/44/722001144.db2.gz PIUGHEYDRLYVNY-UHFFFAOYSA-N 2 0 272.396 2.874 20 0 CFADRP Cc1cc(F)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001143619436 782260958 /nfs/dbraw/zinc/26/09/58/782260958.db2.gz PXOOQGFWSWRMSM-UHFFFAOYSA-N 2 0 262.372 2.662 20 0 CFADRP CC1(C)OC2(CC[NH+](CCCC[NH3+])CC2)c2ccccc21 ZINC001235947512 778621341 /nfs/dbraw/zinc/62/13/41/778621341.db2.gz DGOXWMQVVGAUCA-UHFFFAOYSA-N 2 0 288.435 2.982 20 0 CFADRP C[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373354 778699920 /nfs/dbraw/zinc/69/99/20/778699920.db2.gz PLVWSBLICJIEPJ-CQSZACIVSA-N 2 0 250.430 2.983 20 0 CFADRP Cc1cccc(C(=[NH2+])NC2CC[NH+](CC3CC3)CC2)c1 ZINC001168362744 778512651 /nfs/dbraw/zinc/51/26/51/778512651.db2.gz FZATYWVRVAAJBA-UHFFFAOYSA-N 2 0 271.408 2.784 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@@H](C)C1 ZINC001235820690 778567344 /nfs/dbraw/zinc/56/73/44/778567344.db2.gz RGVPFYJVFRXTLE-CVEARBPZSA-N 2 0 287.451 2.717 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1CCc1ccccc1Br ZINC001235925532 778611390 /nfs/dbraw/zinc/61/13/90/778611390.db2.gz SPUFFPAUGVXSND-ZDUSSCGKSA-N 2 0 297.240 2.805 20 0 CFADRP CCC[NH+]1C[C@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001208695767 769926958 /nfs/dbraw/zinc/92/69/58/769926958.db2.gz GVJJQJJWIKSALE-HOTGVXAUSA-N 2 0 250.430 2.840 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1C ZINC001206805214 769972363 /nfs/dbraw/zinc/97/23/63/769972363.db2.gz AUIOEPUPKNHMKJ-HOCLYGCPSA-N 2 0 276.424 2.953 20 0 CFADRP Nc1cc[nH+]c2cc(-n3ccc4cc(C[NH3+])cnc43)ccc12 ZINC001167313095 770271669 /nfs/dbraw/zinc/27/16/69/770271669.db2.gz GYDUKFASATURIS-UHFFFAOYSA-N 2 0 289.342 2.615 20 0 CFADRP Cc1ccc(Cl)nc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001140445946 770630663 /nfs/dbraw/zinc/63/06/63/770630663.db2.gz AAXDDKXEPNZOQI-UHFFFAOYSA-N 2 0 279.815 2.571 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000723687787 770650398 /nfs/dbraw/zinc/65/03/98/770650398.db2.gz YALGWYFWWZFMEY-ZDUSSCGKSA-N 2 0 271.364 2.512 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723696818 770652035 /nfs/dbraw/zinc/65/20/35/770652035.db2.gz YFBGTNXEGQMEEQ-ZDUSSCGKSA-N 2 0 258.365 2.912 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723849999 770686903 /nfs/dbraw/zinc/68/69/03/770686903.db2.gz SYTUZBMIRYQPOU-KYOSRNDESA-N 2 0 250.361 2.803 20 0 CFADRP CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000723888153 770706691 /nfs/dbraw/zinc/70/66/91/770706691.db2.gz WWIHRNYFNJTWRA-GDBMZVCRSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1CC[NH3+] ZINC000723889357 770706881 /nfs/dbraw/zinc/70/68/81/770706881.db2.gz YIGDAVOXLFCMQN-ZYHUDNBSSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)C[C@H]1CC[NH3+] ZINC000723906820 770710308 /nfs/dbraw/zinc/71/03/08/770710308.db2.gz XNGMNSGXLLBFLM-ZYHUDNBSSA-N 2 0 270.779 2.896 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723978368 770731632 /nfs/dbraw/zinc/73/16/32/770731632.db2.gz PIKWNXGXCHQGNH-RDHHWEPZSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)C1=NCCc2ccc(-n3cccc3C[NH3+])cc21 ZINC001167596266 770960783 /nfs/dbraw/zinc/96/07/83/770960783.db2.gz ZCCFBTONSGCETA-UHFFFAOYSA-N 2 0 267.376 2.937 20 0 CFADRP C(CC1SCCS1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000693779076 773249243 /nfs/dbraw/zinc/24/92/43/773249243.db2.gz CPJDTGYYWPEONB-XQQFMLRXSA-N 2 0 286.510 2.693 20 0 CFADRP CC1(C[N@@H+]2C[C@@H]3CNc4ccccc4[C@H]3C2)CC[NH2+]CC1 ZINC001224117756 775104952 /nfs/dbraw/zinc/10/49/52/775104952.db2.gz CRLXIZQGXDZOQU-HOCLYGCPSA-N 2 0 285.435 2.517 20 0 CFADRP C[C@H](C[NH+](C)C)O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001224136147 775108648 /nfs/dbraw/zinc/10/86/48/775108648.db2.gz ZZQOJVLAZLXKQA-ZBFHGGJFSA-N 2 0 264.413 2.646 20 0 CFADRP C[N@H+]1CC[C@H]2C[NH+](Cc3nc(C4CC4)cs3)C[C@H]2CC1 ZINC001276952805 775117867 /nfs/dbraw/zinc/11/78/67/775117867.db2.gz ZPPRBZQVWGYHMZ-OKILXGFUSA-N 2 0 291.464 2.794 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(F)(C3CC3)CC2)CC[NH2+]1 ZINC000724841604 775146186 /nfs/dbraw/zinc/14/61/86/775146186.db2.gz UVRYFHKRASFBAI-STQMWFEESA-N 2 0 254.393 2.589 20 0 CFADRP CC(C)C[N@H+](C)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204611532 775188070 /nfs/dbraw/zinc/18/80/70/775188070.db2.gz RBSRCTIBRXMUAD-UHFFFAOYSA-N 2 0 271.408 2.832 20 0 CFADRP C[NH+]1CCC(COC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001224454925 775191103 /nfs/dbraw/zinc/19/11/03/775191103.db2.gz SHSQAGYDVKHVRO-UHFFFAOYSA-N 2 0 282.472 2.996 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000405324785 775201500 /nfs/dbraw/zinc/20/15/00/775201500.db2.gz WLLKXJJISKWFIW-DRZSPHRISA-N 2 0 250.411 2.977 20 0 CFADRP Cc1ccc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)s1 ZINC000693924577 775284818 /nfs/dbraw/zinc/28/48/18/775284818.db2.gz LHNCCRMGDTYEHY-AWEZNQCLSA-N 2 0 252.427 2.878 20 0 CFADRP C[NH+](C)Cc1ccccc1N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001277006546 775308473 /nfs/dbraw/zinc/30/84/73/775308473.db2.gz BDOIJRZYPBHXMS-UHFFFAOYSA-N 2 0 299.462 2.955 20 0 CFADRP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCCC[NH+](C)C)C2 ZINC001224991458 775327006 /nfs/dbraw/zinc/32/70/06/775327006.db2.gz SRIWJIVSGVNMSJ-ZSHCYNCHSA-N 2 0 268.445 2.749 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001207398748 775355584 /nfs/dbraw/zinc/35/55/84/775355584.db2.gz MNDLOHYDHISTDT-ZDUSSCGKSA-N 2 0 265.426 2.622 20 0 CFADRP CC[N@@H+](Cc1ccccc1F)CC1CC[NH+](C)CC1 ZINC001207399108 775361767 /nfs/dbraw/zinc/36/17/67/775361767.db2.gz ZZCOUMSRBCTTNG-UHFFFAOYSA-N 2 0 264.388 2.989 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000694252144 775416967 /nfs/dbraw/zinc/41/69/67/775416967.db2.gz HMTRDJGRQYJEQB-OAUYIBNBSA-N 2 0 256.393 2.611 20 0 CFADRP CCCC[NH+](CCCC)CCNc1ccc[n+](C)c1 ZINC001167735097 775869469 /nfs/dbraw/zinc/86/94/69/775869469.db2.gz XLFNFYQEMLCATH-UHFFFAOYSA-N 2 0 264.437 2.825 20 0 CFADRP COCC[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C)CC1 ZINC001207482973 775980883 /nfs/dbraw/zinc/98/08/83/775980883.db2.gz AZNNCSCOLLFLIZ-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000695821234 776031068 /nfs/dbraw/zinc/03/10/68/776031068.db2.gz FHCIAYDJQLVTDV-RCBQFDQVSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(N(C)C)cn1 ZINC001167754043 776088685 /nfs/dbraw/zinc/08/86/85/776088685.db2.gz UAHVQSPLRZVNDD-AWEZNQCLSA-N 2 0 276.428 2.824 20 0 CFADRP Cc1ccsc1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000124004217 776169400 /nfs/dbraw/zinc/16/94/00/776169400.db2.gz CYZCKMWVXAZPNF-UHFFFAOYSA-N 2 0 272.417 2.992 20 0 CFADRP C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000686664376 776238340 /nfs/dbraw/zinc/23/83/40/776238340.db2.gz RQDGYJATESDXCG-HUUCEWRRSA-N 2 0 260.425 2.881 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422753898 776324394 /nfs/dbraw/zinc/32/43/94/776324394.db2.gz IZJBCBAUYBBSPC-KLZNEWFBSA-N 2 0 280.456 2.546 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000125565576 776354044 /nfs/dbraw/zinc/35/40/44/776354044.db2.gz SQQSUJBTQYZCNL-LBPRGKRZSA-N 2 0 288.313 2.756 20 0 CFADRP FC(F)(F)[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000721393371 776521165 /nfs/dbraw/zinc/52/11/65/776521165.db2.gz UBCKMHRWBBWHOO-GFCCVEGCSA-N 2 0 296.402 2.746 20 0 CFADRP CCCO[C@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC001167824711 776543962 /nfs/dbraw/zinc/54/39/62/776543962.db2.gz FUYFCQPLKOZMQV-HOTGVXAUSA-N 2 0 270.461 2.998 20 0 CFADRP CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001277316418 776544671 /nfs/dbraw/zinc/54/46/71/776544671.db2.gz YSONULLNKPPQSC-HZPDHXFCSA-N 2 0 297.487 2.534 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC001167826936 776548103 /nfs/dbraw/zinc/54/81/03/776548103.db2.gz SCXUPODVWUPIMX-MRXNPFEDSA-N 3 0 283.504 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001167834142 776574323 /nfs/dbraw/zinc/57/43/23/776574323.db2.gz ICPZJBNSTUMNOV-ARFHVFGLSA-N 2 0 270.461 2.996 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001167838434 776586745 /nfs/dbraw/zinc/58/67/45/776586745.db2.gz UNECHIZXHCWUOZ-GJZGRUSLSA-N 2 0 270.461 2.732 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001167839539 776590836 /nfs/dbraw/zinc/59/08/36/776590836.db2.gz ZLPBMWGQNSFDTA-HZPDHXFCSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@H](OC)C1 ZINC001167838706 776591532 /nfs/dbraw/zinc/59/15/32/776591532.db2.gz WHOMEGQHKIOXKP-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)CN1C1CC1 ZINC000925806177 776605665 /nfs/dbraw/zinc/60/56/65/776605665.db2.gz BBXBJWDQHVDLBY-DOTOQJQBSA-N 3 0 293.499 2.761 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C[C@](C)(C[NH3+])C1 ZINC001167905971 776794089 /nfs/dbraw/zinc/79/40/89/776794089.db2.gz QEGQZKZBBHTQOL-ADVQIIOHSA-N 2 0 250.430 2.918 20 0 CFADRP c1cc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)ccn1 ZINC001167916148 776871209 /nfs/dbraw/zinc/87/12/09/776871209.db2.gz GAXVLJVLLWUVKR-PIIMJCKOSA-N 2 0 285.435 2.682 20 0 CFADRP CC[C@@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092874371 776912549 /nfs/dbraw/zinc/91/25/49/776912549.db2.gz RXRCEOFVEVROFG-GDBMZVCRSA-N 2 0 259.397 2.782 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709968686 776948619 /nfs/dbraw/zinc/94/86/19/776948619.db2.gz BJZOKQIQKVPDHN-WMLDXEAASA-N 2 0 276.399 2.832 20 0 CFADRP CC(C)(C)[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001167936486 776979569 /nfs/dbraw/zinc/97/95/69/776979569.db2.gz OFXYTGPRNNCVAQ-JJXSEGSLSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@H]1C ZINC000710015377 777001557 /nfs/dbraw/zinc/00/15/57/777001557.db2.gz NEPMZCOXDSQSSR-WCVJEAGWSA-N 2 0 250.430 2.887 20 0 CFADRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(C)C ZINC001167958663 777277989 /nfs/dbraw/zinc/27/79/89/777277989.db2.gz HQBWUEXDFQKLMJ-NPYXIHBLSA-N 2 0 280.456 2.652 20 0 CFADRP CC[N@H+]1C[C@H]2CN(Cc3ccccc3SC)C[C@H]2C1 ZINC001231786108 777334711 /nfs/dbraw/zinc/33/47/11/777334711.db2.gz AECLTMOOLPLRFJ-GASCZTMLSA-N 2 0 276.449 2.792 20 0 CFADRP COC[C@@H]1CCCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011095 777411246 /nfs/dbraw/zinc/41/12/46/777411246.db2.gz HCPCJWTVMXDSJZ-AWEZNQCLSA-N 2 0 259.353 2.564 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@@]1(C)O ZINC001232011682 777411278 /nfs/dbraw/zinc/41/12/78/777411278.db2.gz NYGNFPQWMDTIMD-MLGOLLRUSA-N 2 0 273.380 2.546 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1CN1CC[NH+](CC2CCCC2)CC1 ZINC001232014068 777412519 /nfs/dbraw/zinc/41/25/19/777412519.db2.gz JEKRPWCEXKRWES-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232017796 777414875 /nfs/dbraw/zinc/41/48/75/777414875.db2.gz XTDQYBGAZZKPPJ-UHFFFAOYSA-N 3 0 298.434 2.871 20 0 CFADRP CCC[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973904 777440226 /nfs/dbraw/zinc/44/02/26/777440226.db2.gz QMYWVYBLIICWFK-XYTVBORESA-N 2 0 280.456 2.533 20 0 CFADRP C[N@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981754 777449344 /nfs/dbraw/zinc/44/93/44/777449344.db2.gz ILUJQECHKRGDSG-DFNIBXOVSA-N 2 0 299.462 2.961 20 0 CFADRP COC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145135 777449569 /nfs/dbraw/zinc/44/95/69/777449569.db2.gz WBLMYXJRGKHLTF-QGZVFWFLSA-N 2 0 294.414 2.888 20 0 CFADRP CC(C)C[N@H+](C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145310 777451012 /nfs/dbraw/zinc/45/10/12/777451012.db2.gz ONXRPAMTKXHSNF-UHFFFAOYSA-N 2 0 252.377 2.975 20 0 CFADRP CCN(CCC[NH+](C)C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232148986 777451662 /nfs/dbraw/zinc/45/16/62/777451662.db2.gz HUVGKOHZJZANBZ-UHFFFAOYSA-N 2 0 295.446 2.661 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC001232149671 777452989 /nfs/dbraw/zinc/45/29/89/777452989.db2.gz OFPRNVNBCCDPDV-INIZCTEOSA-N 2 0 294.414 2.623 20 0 CFADRP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCO1 ZINC001167982855 777453101 /nfs/dbraw/zinc/45/31/01/777453101.db2.gz CSKCWKLZLFFACT-JTUUTPGSSA-N 2 0 278.440 2.503 20 0 CFADRP Cc1cc(F)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC001143585781 777555891 /nfs/dbraw/zinc/55/58/91/777555891.db2.gz GFHWDYOUBHPHTA-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CC[C@H](CO)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168005776 777576973 /nfs/dbraw/zinc/57/69/73/777576973.db2.gz KIPPTDMXDNOQLF-BFYDXBDKSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@@H]1CC(NCC[NH+](C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007514 777584865 /nfs/dbraw/zinc/58/48/65/777584865.db2.gz SMVFDQTVBWELBU-HZPDHXFCSA-N 2 0 289.467 2.579 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4c3CCCC4)C[C@@H]2C1 ZINC001232640260 777628721 /nfs/dbraw/zinc/62/87/21/777628721.db2.gz LNUAGFKKIYYZRS-HDICACEKSA-N 2 0 284.447 2.949 20 0 CFADRP CCC[N@H+]1C[C@H]2CN(Cc3c[nH]c4ccc(O)cc34)C[C@H]2C1 ZINC001232867798 777698359 /nfs/dbraw/zinc/69/83/59/777698359.db2.gz HKVMLHYURQBYII-GASCZTMLSA-N 2 0 299.418 2.647 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc2c1CCO2 ZINC001233278629 777861233 /nfs/dbraw/zinc/86/12/33/777861233.db2.gz ZGMJFARHDXWPSN-UHFFFAOYSA-N 2 0 276.424 2.785 20 0 CFADRP CCCC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC001168092130 778020569 /nfs/dbraw/zinc/02/05/69/778020569.db2.gz FDNXELMVLYHGGH-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CCO1 ZINC001168094472 778031293 /nfs/dbraw/zinc/03/12/93/778031293.db2.gz ULPGHCPJUQFKAG-DZGCQCFKSA-N 2 0 266.429 2.537 20 0 CFADRP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001277799171 778033430 /nfs/dbraw/zinc/03/34/30/778033430.db2.gz LEHYQEBXUIMJBI-UHFFFAOYSA-N 2 0 290.455 2.599 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCC(C3CC[NH+](C)CC3)CC2)CCO1 ZINC001168129498 778121627 /nfs/dbraw/zinc/12/16/27/778121627.db2.gz YLAXXSVKVSQSCY-WMLDXEAASA-N 2 0 280.456 2.608 20 0 CFADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@H]1CCO[C@@H](C)C1 ZINC001168145530 778159055 /nfs/dbraw/zinc/15/90/55/778159055.db2.gz SXLNATWJNDWRRO-HOCLYGCPSA-N 2 0 289.423 2.516 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@]2(C)CCOc3ccccc32)CC1 ZINC000897385365 778171989 /nfs/dbraw/zinc/17/19/89/778171989.db2.gz IVYDUJPTGACWKW-QGZVFWFLSA-N 2 0 274.408 2.616 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001168231808 778262762 /nfs/dbraw/zinc/26/27/62/778262762.db2.gz RPDQZIDGZQXURG-CJNGLKHVSA-N 2 0 284.338 2.828 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1)C2 ZINC001168257054 778276015 /nfs/dbraw/zinc/27/60/15/778276015.db2.gz IRSCJLPMMUSNNR-ZACQAIPSSA-N 2 0 288.435 2.625 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1 ZINC000721251118 778292753 /nfs/dbraw/zinc/29/27/53/778292753.db2.gz APRYWENXMPCOHS-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC001234979433 778344936 /nfs/dbraw/zinc/34/49/36/778344936.db2.gz OCBWXNQHDAPEFP-IYBDPMFKSA-N 2 0 266.388 2.799 20 0 CFADRP c1cc(CN2CC[C@H]3C[NH2+]C[C@H]32)c2cccccc1-2 ZINC001235006295 778351886 /nfs/dbraw/zinc/35/18/86/778351886.db2.gz LKIZXQWPKYELCL-WMLDXEAASA-N 2 0 252.361 2.585 20 0 CFADRP CC1(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)CCCCC1 ZINC001235006727 778351987 /nfs/dbraw/zinc/35/19/87/778351987.db2.gz KCXIMSMZUWFBPF-KRWDZBQOSA-N 2 0 280.456 2.659 20 0 CFADRP C(CC1CCCC1)C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235009387 778353591 /nfs/dbraw/zinc/35/35/91/778353591.db2.gz ZOYKCTNKBDPWLS-KRWDZBQOSA-N 2 0 280.456 2.659 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)s1 ZINC001235033494 778361107 /nfs/dbraw/zinc/36/11/07/778361107.db2.gz PGOKXIQLEFZSOG-HNNXBMFYSA-N 2 0 264.438 2.886 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235039345 778364018 /nfs/dbraw/zinc/36/40/18/778364018.db2.gz YCIKDIPXJADISC-ARFHVFGLSA-N 2 0 268.445 2.513 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC001235093792 778378280 /nfs/dbraw/zinc/37/82/80/778378280.db2.gz SKXPOCXABCCFNV-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CC1(C[NH+]2CCC3(CNc4ccccc43)CC2)CC[NH2+]CC1 ZINC001235141213 778395633 /nfs/dbraw/zinc/39/56/33/778395633.db2.gz XEUAZSCWACHQIO-UHFFFAOYSA-N 2 0 299.462 2.835 20 0 CFADRP Fc1ccc(CC[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001235134809 778396011 /nfs/dbraw/zinc/39/60/11/778396011.db2.gz HAJGTUCJTICHNO-UHFFFAOYSA-N 2 0 294.389 2.973 20 0 CFADRP Oc1ccc(F)c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235157858 778399444 /nfs/dbraw/zinc/39/94/44/778399444.db2.gz SHYAHKFSAORZLS-KRWDZBQOSA-N 2 0 292.398 2.885 20 0 CFADRP CC(C)(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001235186244 778405336 /nfs/dbraw/zinc/40/53/36/778405336.db2.gz GAOZHQZCBBWRIQ-CVEARBPZSA-N 2 0 272.436 2.896 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235185383 778405393 /nfs/dbraw/zinc/40/53/93/778405393.db2.gz SCNISUXYUKXFDE-WBVHZDCISA-N 2 0 281.403 2.519 20 0 CFADRP C[NH2+]CCC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235187631 778407036 /nfs/dbraw/zinc/40/70/36/778407036.db2.gz ZUDCVCLTSIJOJE-UHFFFAOYSA-N 2 0 256.393 2.657 20 0 CFADRP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193402 778409241 /nfs/dbraw/zinc/40/92/41/778409241.db2.gz KOKGTAJVGAFNSO-GDBMZVCRSA-N 2 0 258.409 2.851 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC(C)C ZINC001235197688 778411134 /nfs/dbraw/zinc/41/11/34/778411134.db2.gz GVQZIZPYLSGART-IAGOWNOFSA-N 2 0 288.435 2.824 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235199239 778411741 /nfs/dbraw/zinc/41/17/41/778411741.db2.gz VSYRKGBUIITTSC-HZPDHXFCSA-N 2 0 258.409 2.599 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)CC1 ZINC001168298497 778411737 /nfs/dbraw/zinc/41/17/37/778411737.db2.gz XKEBRQJERMUVQN-VLWBHCEFSA-N 3 0 295.515 2.993 20 0 CFADRP CC(C)c1cc(C[NH2+]C2CCC([NH+](C)C)CC2)on1 ZINC001168298242 778411888 /nfs/dbraw/zinc/41/18/88/778411888.db2.gz HQJPEGJDBRHWBQ-UHFFFAOYSA-N 2 0 265.401 2.760 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](CO)c2cccc(Cl)c2)CC1 ZINC001168298337 778411904 /nfs/dbraw/zinc/41/19/04/778411904.db2.gz NNLKUYFHVMCNPF-UYSNPLJNSA-N 2 0 296.842 2.836 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168295257 778412264 /nfs/dbraw/zinc/41/22/64/778412264.db2.gz ZOYCYICZIMELKS-VYMRPNJYSA-N 3 0 295.515 2.817 20 0 CFADRP Oc1ccc2cc(CN3C[C@H]4CCC[NH2+][C@H]4C3)ccc2c1 ZINC001235209726 778415622 /nfs/dbraw/zinc/41/56/22/778415622.db2.gz OQYNDSBNQHAGBO-AEFFLSMTSA-N 2 0 282.387 2.729 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC001168303972 778417593 /nfs/dbraw/zinc/41/75/93/778417593.db2.gz HYFMQYHMOHLAOH-OFLPRAFFSA-N 2 0 273.424 2.995 20 0 CFADRP CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235223949 778420438 /nfs/dbraw/zinc/42/04/38/778420438.db2.gz HSDRALAERLMTSX-JQWIXIFHSA-N 2 0 264.335 2.506 20 0 CFADRP Cc1ccnc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235227184 778421885 /nfs/dbraw/zinc/42/18/85/778421885.db2.gz DIJIFQOYOCNUDF-QGZVFWFLSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2(c3ncccc3F)CC2)CC1 ZINC001168311824 778422254 /nfs/dbraw/zinc/42/22/54/778422254.db2.gz BVSBGADLMKZAOX-UHFFFAOYSA-N 2 0 291.414 2.715 20 0 CFADRP c1cc2cccc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)n2n1 ZINC001235230140 778422560 /nfs/dbraw/zinc/42/25/60/778422560.db2.gz OASBDZHPJQEAAV-GOSISDBHSA-N 2 0 298.434 2.688 20 0 CFADRP c1[nH]c2ccncc2c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230278 778423120 /nfs/dbraw/zinc/42/31/20/778423120.db2.gz UYNIVLCGGHJSFE-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)nc1 ZINC001235232215 778423730 /nfs/dbraw/zinc/42/37/30/778423730.db2.gz WEWFREPTKHNWJL-INIZCTEOSA-N 2 0 277.387 2.575 20 0 CFADRP CS[C@@H](C)CC[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233177 778424038 /nfs/dbraw/zinc/42/40/38/778424038.db2.gz OONHPYIMUYSQCB-DZGCQCFKSA-N 2 0 270.486 2.982 20 0 CFADRP C[NH+](C)C1CCC([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001168314086 778425254 /nfs/dbraw/zinc/42/52/54/778425254.db2.gz JMMOKZGWPDBJIG-RYSNWHEDSA-N 2 0 272.383 2.836 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001168314115 778425345 /nfs/dbraw/zinc/42/53/45/778425345.db2.gz JZEPSVNDAWJUJG-QVOMUQBLSA-N 2 0 250.430 2.981 20 0 CFADRP c1nc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c2ccccn12 ZINC001235238697 778426437 /nfs/dbraw/zinc/42/64/37/778426437.db2.gz GZZSQHHIJRZBMU-MRXNPFEDSA-N 2 0 298.434 2.688 20 0 CFADRP c1cc2n(c1C[NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)CCC2 ZINC001235240177 778428159 /nfs/dbraw/zinc/42/81/59/778428159.db2.gz WFNGWEFLJVRKPZ-SFHVURJKSA-N 2 0 287.451 2.788 20 0 CFADRP CNc1ncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)s1 ZINC001235240239 778428174 /nfs/dbraw/zinc/42/81/74/778428174.db2.gz LEQIUDFDELHWNG-AWEZNQCLSA-N 2 0 294.468 2.539 20 0 CFADRP CC(C)[NH+]1CC(Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)C1 ZINC001168317978 778429493 /nfs/dbraw/zinc/42/94/93/778429493.db2.gz XJJBHJIGTQPMGM-OAHLLOKOSA-N 2 0 273.424 2.658 20 0 CFADRP COCc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)o1 ZINC001235243789 778429751 /nfs/dbraw/zinc/42/97/51/778429751.db2.gz YUFOAHXAUAAVJD-QGZVFWFLSA-N 2 0 292.423 2.780 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C)CCOc2ccccc2)CC1 ZINC001168322403 778431100 /nfs/dbraw/zinc/43/11/00/778431100.db2.gz AVVRMSDFGZIMIC-UHFFFAOYSA-N 2 0 276.424 2.870 20 0 CFADRP COCC[C@@H]1CCCC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168323397 778433363 /nfs/dbraw/zinc/43/33/63/778433363.db2.gz XXWOPPCFXFFWFS-PCKAHOCUSA-N 2 0 268.445 2.750 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3cccc(-c4ccc(F)cc4)c3)C[C@@H]12 ZINC001235283687 778442311 /nfs/dbraw/zinc/44/23/11/778442311.db2.gz GJNJCHZIBRKMJV-BCDXTJNWSA-N 2 0 282.362 2.882 20 0 CFADRP [NH3+][C@H]1[C@H]2CN(Cc3cccn3-c3ccc(Cl)cc3)C[C@@H]12 ZINC001235285432 778443952 /nfs/dbraw/zinc/44/39/52/778443952.db2.gz RMFNNJSTEBGPDA-MUJYYYPQSA-N 2 0 287.794 2.520 20 0 CFADRP F[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168351101 778445451 /nfs/dbraw/zinc/44/54/51/778445451.db2.gz CZOXJVMZOMQDCG-ZIAGYGMSSA-N 2 0 254.393 2.589 20 0 CFADRP c1coc(CSCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168353089 778446984 /nfs/dbraw/zinc/44/69/84/778446984.db2.gz KCXKCRYQBIMZLO-UHFFFAOYSA-N 2 0 294.464 2.977 20 0 CFADRP Fc1ccc(OCC[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168353975 778447698 /nfs/dbraw/zinc/44/76/98/778447698.db2.gz XMUZNFSQLQJRCZ-UHFFFAOYSA-N 2 0 292.398 2.669 20 0 CFADRP [NH3+]Cc1nn(C2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC001168356680 778457699 /nfs/dbraw/zinc/45/76/99/778457699.db2.gz SRBOMCIUIXXULN-UHFFFAOYSA-N 2 0 284.407 2.542 20 0 CFADRP Cc1cc(C)c(Cl)c(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235339140 778459205 /nfs/dbraw/zinc/45/92/05/778459205.db2.gz DJCVKBQGTYYELG-CYBMUJFWSA-N 2 0 278.827 2.998 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235341194 778460701 /nfs/dbraw/zinc/46/07/01/778460701.db2.gz OZBZTLOWOFBFDV-INIZCTEOSA-N 2 0 258.409 2.680 20 0 CFADRP CCC[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235362150 778468442 /nfs/dbraw/zinc/46/84/42/778468442.db2.gz LRBRLECNXUNPRX-IAGOWNOFSA-N 2 0 258.409 2.650 20 0 CFADRP CC(C)C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235364291 778469923 /nfs/dbraw/zinc/46/99/23/778469923.db2.gz XJYJYDDMTGFSKT-MSOLQXFVSA-N 2 0 272.436 2.896 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365302 778469943 /nfs/dbraw/zinc/46/99/43/778469943.db2.gz NOHZCKUFQYBAIH-RWQQGDIJSA-N 2 0 284.447 2.896 20 0 CFADRP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@@H+](CCC2CC2)C3)cc1 ZINC001235378829 778470630 /nfs/dbraw/zinc/47/06/30/778470630.db2.gz LRDGXPJSYCNRPB-MSOLQXFVSA-N 2 0 270.420 2.866 20 0 CFADRP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379779 778471115 /nfs/dbraw/zinc/47/11/15/778471115.db2.gz QPKKIKDHPFNVHJ-SPUZQDLCSA-N 2 0 270.420 2.722 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235399777 778475352 /nfs/dbraw/zinc/47/53/52/778475352.db2.gz BJIVYFBMCRIIIS-DLBZAZTESA-N 2 0 276.399 2.773 20 0 CFADRP Fc1cccc(CCC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235399405 778475789 /nfs/dbraw/zinc/47/57/89/778475789.db2.gz AZXPEDKQBCXSPN-SJORKVTESA-N 2 0 294.389 2.782 20 0 CFADRP CCOc1cc(O)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC001235399015 778475853 /nfs/dbraw/zinc/47/58/53/778475853.db2.gz VLLVXDCFJPPJTO-UHFFFAOYSA-N 2 0 292.423 2.565 20 0 CFADRP CC/C=C\CCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235402381 778477023 /nfs/dbraw/zinc/47/70/23/778477023.db2.gz JJXPBGVCDIHLLH-CGXNLCPXSA-N 2 0 254.393 2.756 20 0 CFADRP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](CC1CCCCC1)C2 ZINC001235405466 778477861 /nfs/dbraw/zinc/47/78/61/778477861.db2.gz PAHNRFNBHXRVFJ-GJZGRUSLSA-N 2 0 254.393 2.590 20 0 CFADRP COc1ccc(C[N@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235402980 778477897 /nfs/dbraw/zinc/47/78/97/778477897.db2.gz OJVJIKKLIVPAGQ-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235406973 778478736 /nfs/dbraw/zinc/47/87/36/778478736.db2.gz RWOULDAZHBZRKZ-IAGOWNOFSA-N 2 0 276.399 2.827 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1NCC2 ZINC001235421460 778485567 /nfs/dbraw/zinc/48/55/67/778485567.db2.gz CANOUAHGWSZHIQ-MSOLQXFVSA-N 2 0 299.462 2.866 20 0 CFADRP Oc1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235428072 778487317 /nfs/dbraw/zinc/48/73/17/778487317.db2.gz OLJNMVUZXDTRLK-CABCVRRESA-N 2 0 292.398 2.743 20 0 CFADRP C[C@@H](CC[NH2+]CCc1ccc(Cl)cc1)[NH+](C)C ZINC000697864787 778489262 /nfs/dbraw/zinc/48/92/62/778489262.db2.gz BFGVOTGLIWREPA-LBPRGKRZSA-N 2 0 254.805 2.812 20 0 CFADRP Cc1cc(Br)cc(C)c1C[N@H+](C)CCC[NH3+] ZINC001235435231 778489886 /nfs/dbraw/zinc/48/98/86/778489886.db2.gz DKFGYWYIZJDHAG-UHFFFAOYSA-N 2 0 285.229 2.847 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C1 ZINC000721256781 778493468 /nfs/dbraw/zinc/49/34/68/778493468.db2.gz WWKRTOPWNLDJJV-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)cnc1SC ZINC001277950184 778507277 /nfs/dbraw/zinc/50/72/77/778507277.db2.gz UEQFUEQSBBOGKA-GOOCMWNKSA-N 2 0 291.464 2.827 20 0 CFADRP C(O[C@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]3)C[C@@H]21)C1CC1 ZINC001235595890 778522356 /nfs/dbraw/zinc/52/23/56/778522356.db2.gz FBBVVKJDUVNUHU-OWSLCNJRSA-N 2 0 292.467 2.656 20 0 CFADRP Cc1ccccc1O[C@H]1CC[N@H+](CC2(C)CC[NH2+]CC2)C1 ZINC001235675198 778532813 /nfs/dbraw/zinc/53/28/13/778532813.db2.gz QEDHEIJWQVCIRU-INIZCTEOSA-N 2 0 288.435 2.838 20 0 CFADRP CC[C@@H]([NH3+])CN1CCC[C@@H](Oc2ccccc2C)C1 ZINC001235690942 778538304 /nfs/dbraw/zinc/53/83/04/778538304.db2.gz IIAIHXGGOOPNNW-HUUCEWRRSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235694390 778538905 /nfs/dbraw/zinc/53/89/05/778538905.db2.gz DUBTVDZRRBKISU-JKSUJKDBSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@H]1C ZINC001235695090 778541141 /nfs/dbraw/zinc/54/11/41/778541141.db2.gz OPEHTVGZGGYBIE-CVEARBPZSA-N 2 0 287.451 2.717 20 0 CFADRP [NH3+]CCCCN1CC(Oc2ccccc2C(F)(F)F)C1 ZINC001235706393 778543890 /nfs/dbraw/zinc/54/38/90/778543890.db2.gz UMJCSYZMNBSGQI-UHFFFAOYSA-N 2 0 288.313 2.507 20 0 CFADRP c1cc(CN2CC[NH+](CC3CCCC3)CC2)cc2c1C[NH2+]C2 ZINC001235712722 778544582 /nfs/dbraw/zinc/54/45/82/778544582.db2.gz PGKGPXKTDKYXET-UHFFFAOYSA-N 2 0 299.462 2.598 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH2+]C2)c(C)c1Cl ZINC001235839857 778574693 /nfs/dbraw/zinc/57/46/93/778574693.db2.gz AWFAYMSBBVUDAL-ZDUSSCGKSA-N 2 0 266.816 2.998 20 0 CFADRP CC[C@@H]([NH3+])CN1CC[C@H](c2ccc(Br)cc2)C1 ZINC001235882524 778589334 /nfs/dbraw/zinc/58/93/34/778589334.db2.gz MWXLZYUJFMMBDL-GXTWGEPZSA-N 2 0 297.240 2.976 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235894177 778594883 /nfs/dbraw/zinc/59/48/83/778594883.db2.gz UUDVLCNYJBTHJL-MJGOQNOKSA-N 2 0 299.462 2.861 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC(C)(C)CC[NH3+] ZINC001168366759 778596232 /nfs/dbraw/zinc/59/62/32/778596232.db2.gz ZIUQMHOVHXJVNE-HNNXBMFYSA-N 3 0 295.515 2.852 20 0 CFADRP [NH3+]CCC1C[NH+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001235918299 778608611 /nfs/dbraw/zinc/60/86/11/778608611.db2.gz CYAKDQZMGHINRG-UHFFFAOYSA-N 2 0 263.772 2.602 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc12 ZINC001235929412 778613512 /nfs/dbraw/zinc/61/35/12/778613512.db2.gz OIQAQWYJZIXSLU-HOCLYGCPSA-N 2 0 296.414 2.890 20 0 CFADRP CCCCOc1cccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235934567 778615484 /nfs/dbraw/zinc/61/54/84/778615484.db2.gz BPMOCJLTVNPLON-SJORKVTESA-N 2 0 288.435 2.907 20 0 CFADRP c1ccn(-c2ccccc2C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235934692 778616549 /nfs/dbraw/zinc/61/65/49/778616549.db2.gz CSQOEWZRIOGBJA-DOTOQJQBSA-N 2 0 281.403 2.519 20 0 CFADRP CC(C)(C)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235937993 778617715 /nfs/dbraw/zinc/61/77/15/778617715.db2.gz KFCPVXISCKXLRY-HZPDHXFCSA-N 2 0 288.435 2.905 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235941596 778619592 /nfs/dbraw/zinc/61/95/92/778619592.db2.gz VZYZDLAYBPRLHU-ZWKOTPCHSA-N 2 0 270.420 2.995 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(C)c1 ZINC001235951335 778624263 /nfs/dbraw/zinc/62/42/63/778624263.db2.gz QJGLLUMOPFDETJ-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001235958300 778627461 /nfs/dbraw/zinc/62/74/61/778627461.db2.gz DCVHXSBHHKHRKF-DABQJJPHSA-N 2 0 284.325 2.875 20 0 CFADRP Cc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1 ZINC001235960040 778629931 /nfs/dbraw/zinc/62/99/31/778629931.db2.gz TZDHJAOMWXYPTA-SCAQPMJSSA-N 2 0 258.409 2.781 20 0 CFADRP CCC[N@@H+](CCc1ccccn1)CC[C@H]1CCCC[NH2+]1 ZINC001235963258 778630871 /nfs/dbraw/zinc/63/08/71/778630871.db2.gz SDXHQXZDZVZCRU-QGZVFWFLSA-N 2 0 275.440 2.868 20 0 CFADRP C[C@@]1(c2ccc(Cl)cc2)C[N@H+](CCCC[NH3+])CCO1 ZINC001235968869 778632437 /nfs/dbraw/zinc/63/24/37/778632437.db2.gz LSPRZBWMRJXGNN-HNNXBMFYSA-N 2 0 282.815 2.626 20 0 CFADRP c1cc2c(cc1C[NH+]1CC3(C1)CCC[NH2+]CC3)NCCC2 ZINC001236004202 778649744 /nfs/dbraw/zinc/64/97/44/778649744.db2.gz CKBIIBWOUAELFZ-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP Cc1cc(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)oc1C ZINC001236012766 778653859 /nfs/dbraw/zinc/65/38/59/778653859.db2.gz QGKJFTXRBWFNMH-MJGOQNOKSA-N 2 0 296.414 2.869 20 0 CFADRP COc1cccc(CCC[N@H+](C)CC2(C)CC[NH2+]CC2)c1 ZINC001236041560 778661966 /nfs/dbraw/zinc/66/19/66/778661966.db2.gz IFOUKYVRXFFXLZ-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CC[C@H]2CC=C(C)C2(C)C)C1 ZINC001236068300 778679175 /nfs/dbraw/zinc/67/91/75/778679175.db2.gz XQEMYBGPTYNOJX-LSDHHAIUSA-N 2 0 250.430 2.910 20 0 CFADRP CCn1ccc2c1cccc2C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC001236067593 778679496 /nfs/dbraw/zinc/67/94/96/778679496.db2.gz QBACUBRNKNPWEE-AWEZNQCLSA-N 2 0 271.408 2.703 20 0 CFADRP CC(C)Oc1cccc(CN2CCC[NH2+][C@@H](C)C2)c1 ZINC001236095517 778690154 /nfs/dbraw/zinc/69/01/54/778690154.db2.gz VTRHXYPGCUCDKD-AWEZNQCLSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236109812 778698473 /nfs/dbraw/zinc/69/84/73/778698473.db2.gz XBVHIISGYQAHRW-QGZVFWFLSA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001236124310 778704033 /nfs/dbraw/zinc/70/40/33/778704033.db2.gz KWRLPRQCPVZADU-CQSZACIVSA-N 2 0 254.324 2.841 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236126511 778705294 /nfs/dbraw/zinc/70/52/94/778705294.db2.gz CJVKGTLCUHXCGA-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCC(N2CC[NH2+]CC2)CC1 ZINC001236126507 778705462 /nfs/dbraw/zinc/70/54/62/778705462.db2.gz CJVKGTLCUHXCGA-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+](C)CCCn1cc(-c2ccccc2C[NH+](C)C)cn1 ZINC001236148008 778717940 /nfs/dbraw/zinc/71/79/40/778717940.db2.gz FVQGIRLZNWMHTM-UHFFFAOYSA-N 2 0 286.423 2.563 20 0 CFADRP CO[C@H]1CCC[C@@H]2C[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC001168379065 778750363 /nfs/dbraw/zinc/75/03/63/778750363.db2.gz BQRVTVJJHBSYFV-NJAFHUGGSA-N 2 0 292.467 2.608 20 0 CFADRP CCC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC(C)C ZINC001236263315 778756534 /nfs/dbraw/zinc/75/65/34/778756534.db2.gz FPFDIWSXWADMNS-UHFFFAOYSA-N 2 0 289.467 2.964 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387602 778767832 /nfs/dbraw/zinc/76/78/32/778767832.db2.gz MCTVAHMCGQGOBI-CQSZACIVSA-N 2 0 250.430 2.983 20 0 CFADRP c1cc2n(c1C[NH+]1CCCCCCCC1)CC[NH2+]C2 ZINC001236307818 778769615 /nfs/dbraw/zinc/76/96/15/778769615.db2.gz OSXWBZOWHIWCNO-UHFFFAOYSA-N 2 0 261.413 2.748 20 0 CFADRP CN(CC[C@H]1CCCC[NH2+]1)CC[N@H+](C)Cc1ccccc1 ZINC001236308680 778770801 /nfs/dbraw/zinc/77/08/01/778770801.db2.gz WPKIXJIVUKIPRX-GOSISDBHSA-N 2 0 289.467 2.582 20 0 CFADRP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1)OCc1ccccc1 ZINC001236313959 778773172 /nfs/dbraw/zinc/77/31/72/778773172.db2.gz BUCFDTQULDGEMX-RYQLBKOJSA-N 2 0 288.435 2.523 20 0 CFADRP Cn1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc21 ZINC001236314780 778774281 /nfs/dbraw/zinc/77/42/81/778774281.db2.gz HFGIHDXAMRYBLC-GASCZTMLSA-N 2 0 283.419 2.610 20 0 CFADRP C[C@@H]1C[C@@H](C)CC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168392062 778777898 /nfs/dbraw/zinc/77/78/98/778777898.db2.gz QGOVATPVTBFYNO-UONOGXRCSA-N 2 0 250.430 2.981 20 0 CFADRP c1ccn(-c2ccccc2C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321357 778778571 /nfs/dbraw/zinc/77/85/71/778778571.db2.gz IRZFHDGWJRXOLW-CALCHBBNSA-N 2 0 295.430 2.909 20 0 CFADRP Nc1ccc(C2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236335136 778784483 /nfs/dbraw/zinc/78/44/83/778784483.db2.gz HECKFCRSENKVJL-SFHVURJKSA-N 2 0 287.451 2.980 20 0 CFADRP [NH3+]Cc1c[nH]c2ccc(-c3cccc4c3CC[NH2+]C4)cc12 ZINC001236362148 778791353 /nfs/dbraw/zinc/79/13/53/778791353.db2.gz WKPOMYPDSHWNBZ-UHFFFAOYSA-N 2 0 277.371 2.939 20 0 CFADRP C(CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC001236369738 778794355 /nfs/dbraw/zinc/79/43/55/778794355.db2.gz CGBDTANQEHWWJI-SJORKVTESA-N 2 0 293.499 2.763 20 0 CFADRP CN1CCC[C@H](C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369821 778794551 /nfs/dbraw/zinc/79/45/51/778794551.db2.gz DIWYNBHGHZOZCP-IRXDYDNUSA-N 2 0 293.499 2.572 20 0 CFADRP [NH3+]CCCCCN(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236369371 778794602 /nfs/dbraw/zinc/79/46/02/778794602.db2.gz ZSPLGBIVNJBQOU-UHFFFAOYSA-N 2 0 293.430 2.509 20 0 CFADRP C[C@@H]1C[C@H]1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374366 778796280 /nfs/dbraw/zinc/79/62/80/778796280.db2.gz PWHMSKJUZCSCLL-ILXRZTDVSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+](Cc1ccc(C2CC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236407104 778805449 /nfs/dbraw/zinc/80/54/49/778805449.db2.gz BUVWKTCXKIOKJX-OAHLLOKOSA-N 2 0 258.409 2.995 20 0 CFADRP CC[C@@H]([NH3+])CN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236452589 778832689 /nfs/dbraw/zinc/83/26/89/778832689.db2.gz GYIGOTICHLSZIF-OAHLLOKOSA-N 2 0 295.858 2.631 20 0 CFADRP CC[C@@H]([NH3+])CN(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001236451357 778832696 /nfs/dbraw/zinc/83/26/96/778832696.db2.gz PMOUKRXVZDOGJX-CQSZACIVSA-N 2 0 295.858 2.631 20 0 CFADRP CC[NH2+]CCN(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236533659 778867754 /nfs/dbraw/zinc/86/77/54/778867754.db2.gz FRABDMNSSQEKPP-WKILWMFISA-N 2 0 293.430 2.507 20 0 CFADRP Cc1ccnc(O[C@H]2CCC[N@H+](CCCCCC[NH3+])C2)c1 ZINC001236532609 778867844 /nfs/dbraw/zinc/86/78/44/778867844.db2.gz DFHYYRWXUNVQMJ-INIZCTEOSA-N 2 0 291.439 2.752 20 0 CFADRP N[C@H](C[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1 ZINC001236553415 778875978 /nfs/dbraw/zinc/87/59/78/778875978.db2.gz YIPZFPKWJFSKNJ-KZNAEPCWSA-N 2 0 287.451 2.668 20 0 CFADRP C[NH+](C)CC(C)(C)CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236648444 778904049 /nfs/dbraw/zinc/90/40/49/778904049.db2.gz RVJSNRSZPDJUEE-INIZCTEOSA-N 2 0 281.488 2.571 20 0 CFADRP [NH3+]Cc1cccc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236654749 778904987 /nfs/dbraw/zinc/90/49/87/778904987.db2.gz QSEVOGHJZICBEB-SFHVURJKSA-N 2 0 287.451 2.642 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCCCO)CC2CCCCC2)CC1 ZINC001236753932 778929484 /nfs/dbraw/zinc/92/94/84/778929484.db2.gz ASDFINKTZAQMLX-QAQDUYKDSA-N 2 0 282.472 2.911 20 0 CFADRP CC(C)(C)C[N@H+](CC1(F)CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769454 778930502 /nfs/dbraw/zinc/93/05/02/778930502.db2.gz VTKLMTYMCBQWAN-SHTZXODSSA-N 3 0 299.478 2.696 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC001236817533 778952436 /nfs/dbraw/zinc/95/24/36/778952436.db2.gz CIOGSGYKEARNGX-TUKIKUTGSA-N 2 0 264.438 2.870 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCc3ccccc3Cl)C[C@H]12 ZINC001236817565 778952515 /nfs/dbraw/zinc/95/25/15/778952515.db2.gz DGYLSANZGAUDJV-OFQRWUPVSA-N 2 0 278.827 2.942 20 0 CFADRP CCC[N@H+](CCCc1ccccc1OC)C[C@H]1CC[NH2+]C1 ZINC001236830920 778957995 /nfs/dbraw/zinc/95/79/95/778957995.db2.gz PTXDREWMWABJCF-INIZCTEOSA-N 2 0 290.451 2.949 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC001236831369 778958237 /nfs/dbraw/zinc/95/82/37/778958237.db2.gz QPOMWUJKIIORRJ-XIRDDKMYSA-N 2 0 288.435 2.951 20 0 CFADRP CC(C)c1nc(C[N@H+](C)CC2CC[NH2+]CC2)cs1 ZINC000094024700 778958406 /nfs/dbraw/zinc/95/84/06/778958406.db2.gz OLWPLFVFFGDJKP-UHFFFAOYSA-N 2 0 267.442 2.698 20 0 CFADRP CCC[N@@H+](Cc1ccc(OC)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236836194 778961232 /nfs/dbraw/zinc/96/12/32/778961232.db2.gz SRNNBDMIDYVRHZ-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)CC1CCC1 ZINC001236899460 778977465 /nfs/dbraw/zinc/97/74/65/778977465.db2.gz SFUQVNCIOONYDR-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP C[NH+](C)CCN(CC1(C)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236922102 778981631 /nfs/dbraw/zinc/98/16/31/778981631.db2.gz DDGBGDJAUUTNAE-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP C(C[NH+]1CCC(CC2CC[NH2+]CC2)CC1)C1CC1 ZINC001236947308 778983404 /nfs/dbraw/zinc/98/34/04/778983404.db2.gz JLXRLUUBWUYBEI-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP c1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)co1 ZINC001236947999 778984394 /nfs/dbraw/zinc/98/43/94/778984394.db2.gz NYKAQCULBABNTN-UHFFFAOYSA-N 2 0 262.397 2.881 20 0 CFADRP C[NH+](C)CCC[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001278049556 779007078 /nfs/dbraw/zinc/00/70/78/779007078.db2.gz NGSMXOIZGZUSGI-CALCHBBNSA-N 3 0 293.499 2.525 20 0 CFADRP c1cc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC001237144624 779025494 /nfs/dbraw/zinc/02/54/94/779025494.db2.gz KKTAYWRFVQLLHY-KRWDZBQOSA-N 2 0 286.419 2.728 20 0 CFADRP CC[N@H+](Cc1ccc(C)c(O)c1)C1CCN(C)CC1 ZINC001233233520 779026971 /nfs/dbraw/zinc/02/69/71/779026971.db2.gz JJIGQNVIKNQIDV-UHFFFAOYSA-N 2 0 262.397 2.617 20 0 CFADRP Cc1c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc(F)c1F ZINC001237157055 779028095 /nfs/dbraw/zinc/02/80/95/779028095.db2.gz DPPFXMRHAPVUCL-KGLIPLIRSA-N 2 0 280.362 2.657 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3cnc(-c4ccccc4)o3)C2)CC1 ZINC001237372503 779085049 /nfs/dbraw/zinc/08/50/49/779085049.db2.gz YSYULIDTKFVAPS-UHFFFAOYSA-N 2 0 297.402 2.869 20 0 CFADRP Cn1ccc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)ccc21 ZINC001237393882 779095462 /nfs/dbraw/zinc/09/54/62/779095462.db2.gz UEEKIFGEUUDXJS-IRXDYDNUSA-N 2 0 283.419 2.752 20 0 CFADRP COc1ccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC001237405449 779098581 /nfs/dbraw/zinc/09/85/81/779098581.db2.gz QMNYJRKCCUSBME-DOTOQJQBSA-N 2 0 274.408 2.578 20 0 CFADRP c1ccc2c(c1)ccnc2CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237413538 779102104 /nfs/dbraw/zinc/10/21/04/779102104.db2.gz IRBOHRVHUSJGOQ-NVXWUHKLSA-N 2 0 281.403 2.809 20 0 CFADRP CCOc1cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)ccc1C ZINC001237413047 779102596 /nfs/dbraw/zinc/10/25/96/779102596.db2.gz IRSBZFVWVXIWNO-IRXDYDNUSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000698937209 779104426 /nfs/dbraw/zinc/10/44/26/779104426.db2.gz ROBKFNRGPVZCJR-ZEIKAYMKSA-N 2 0 270.420 2.930 20 0 CFADRP CCn1cncc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237597770 779139443 /nfs/dbraw/zinc/13/94/43/779139443.db2.gz XZNWSCAWKAXHSH-JKSUJKDBSA-N 2 0 290.455 2.742 20 0 CFADRP CCc1n[nH]cc1CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237659456 779157373 /nfs/dbraw/zinc/15/73/73/779157373.db2.gz OQOMQLLQSXDXNA-HOTGVXAUSA-N 2 0 290.455 2.811 20 0 CFADRP CCc1n[nH]cc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001237659457 779157599 /nfs/dbraw/zinc/15/75/99/779157599.db2.gz OQOMQLLQSXDXNA-JKSUJKDBSA-N 2 0 290.455 2.811 20 0 CFADRP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205095013 779171552 /nfs/dbraw/zinc/17/15/52/779171552.db2.gz SOQZXADIYAXYAV-LSDHHAIUSA-N 2 0 270.461 2.767 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001168455178 779183168 /nfs/dbraw/zinc/18/31/68/779183168.db2.gz DGVISQCBORRPTI-BBRMVZONSA-N 2 0 264.388 2.831 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1OCC ZINC001205101721 779211317 /nfs/dbraw/zinc/21/13/17/779211317.db2.gz JVJLKYWRZPJTJQ-HNNXBMFYSA-N 2 0 292.423 2.797 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]CC12CC[NH+](CC1)CC2 ZINC001168467476 779223967 /nfs/dbraw/zinc/22/39/67/779223967.db2.gz JYVRJSXKLFCOLW-CQSZACIVSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205110620 779237129 /nfs/dbraw/zinc/23/71/29/779237129.db2.gz XEMLFUVMCUJBBI-GFCCVEGCSA-N 2 0 287.329 2.722 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001205123307 779267008 /nfs/dbraw/zinc/26/70/08/779267008.db2.gz AAOVYHGDDKVGJV-HNNXBMFYSA-N 2 0 291.414 2.739 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(-c4cc[nH]n4)c3)C2)C1 ZINC001238202213 779280319 /nfs/dbraw/zinc/28/03/19/779280319.db2.gz GNXXFALUCZSGBM-GOSISDBHSA-N 2 0 296.418 2.604 20 0 CFADRP C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2F)C[C@H]1C[NH3+] ZINC001205136064 779304615 /nfs/dbraw/zinc/30/46/15/779304615.db2.gz JTVWHELBHBPQFV-GXSJLCMTSA-N 2 0 290.304 2.871 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2-c2nccs2)C[C@H]1C[NH3+] ZINC001205140874 779324158 /nfs/dbraw/zinc/32/41/58/779324158.db2.gz QBHYWWXDYMFYIK-GXTWGEPZSA-N 2 0 287.432 2.837 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000699719485 779344724 /nfs/dbraw/zinc/34/47/24/779344724.db2.gz IYUALFQGXFUUKZ-MNOVXSKESA-N 2 0 260.372 2.917 20 0 CFADRP CC1(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CCCCC1 ZINC001235400420 779350162 /nfs/dbraw/zinc/35/01/62/779350162.db2.gz CVCYQCWENNTWKD-ZBFHGGJFSA-N 2 0 268.420 2.980 20 0 CFADRP CC1=C[C@@H](C)[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001235433609 779353383 /nfs/dbraw/zinc/35/33/83/779353383.db2.gz LAZPGUNJDFYAIY-GDBMZVCRSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715257369 779353505 /nfs/dbraw/zinc/35/35/05/779353505.db2.gz SXWVAWDERIFZMP-GTPINHCMSA-N 3 0 281.488 2.713 20 0 CFADRP Cc1ccc(C(F)(F)F)c(C[N@H+](C)CCC[NH3+])c1 ZINC001235435314 779353655 /nfs/dbraw/zinc/35/36/55/779353655.db2.gz IQKFNFGNRUDUMQ-UHFFFAOYSA-N 2 0 260.303 2.794 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715269972 779378380 /nfs/dbraw/zinc/37/83/80/779378380.db2.gz LWCDCEZATKXKPF-KLAILNCOSA-N 3 0 283.504 2.959 20 0 CFADRP C[C@H]1CC[C@H]([NH3+])CN1CCCc1cccc(F)c1 ZINC001235892452 779394592 /nfs/dbraw/zinc/39/45/92/779394592.db2.gz QXAVFLMEJRTKFH-WFASDCNBSA-N 2 0 250.361 2.570 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CCC[C@H]2CC[NH3+])cc1 ZINC001235925084 779409584 /nfs/dbraw/zinc/40/95/84/779409584.db2.gz IQHAKSLZXWRXFC-HNNXBMFYSA-N 2 0 262.397 2.789 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)CC1CCCC1 ZINC001235959638 779416026 /nfs/dbraw/zinc/41/60/26/779416026.db2.gz YZAULOAFUXZLLY-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccccc2[C@@H](C)[NH3+])cn1 ZINC001239216356 779476994 /nfs/dbraw/zinc/47/69/94/779476994.db2.gz PQXJRQDIFRBCRM-CQSZACIVSA-N 2 0 286.423 2.912 20 0 CFADRP CC[N@@H+]1CCc2cc(-c3cncc(C[NH3+])c3)ccc2C1 ZINC001239796722 779778882 /nfs/dbraw/zinc/77/88/82/779778882.db2.gz FRFZQYNXWLIETG-UHFFFAOYSA-N 2 0 267.376 2.585 20 0 CFADRP [NH3+]Cc1cncc(-c2cncc(C[NH+]3CCCCC3)c2)c1 ZINC001239803499 779785387 /nfs/dbraw/zinc/78/53/87/779785387.db2.gz BPKNVHOGCADITG-UHFFFAOYSA-N 2 0 282.391 2.588 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc(F)c(C[NH+]3CCCC3)c2)c1 ZINC001239809803 779791586 /nfs/dbraw/zinc/79/15/86/779791586.db2.gz WDJMNVGWBYEAOP-UHFFFAOYSA-N 2 0 285.366 2.942 20 0 CFADRP CC[NH+](CC)Cc1ccccc1CNCc1cn(C)cn1 ZINC000387271437 779951607 /nfs/dbraw/zinc/95/16/07/779951607.db2.gz MCGQXZBXKNNYEF-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP CC[NH+](CC)Cc1cc(OC)ccc1NC1(CC)C[NH2+]C1 ZINC001168587051 780010362 /nfs/dbraw/zinc/01/03/62/780010362.db2.gz PVBRISOLEUPUHW-UHFFFAOYSA-N 2 0 291.439 2.701 20 0 CFADRP C[C@@H]([NH3+])c1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001240246375 780026796 /nfs/dbraw/zinc/02/67/96/780026796.db2.gz NMBKMPXVQCOXHL-OAHLLOKOSA-N 2 0 295.430 2.779 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2cc(C3C[NH2+]C3)ncn2)cc1 ZINC001240368006 780117911 /nfs/dbraw/zinc/11/79/11/780117911.db2.gz MAHNAHRQRGZGRI-UHFFFAOYSA-N 2 0 296.418 2.719 20 0 CFADRP [NH3+]CC1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001205026761 780139501 /nfs/dbraw/zinc/13/95/01/780139501.db2.gz YFIXXTGWOOQCKM-UHFFFAOYSA-N 2 0 252.789 2.553 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC[C@@H](O)c2ccccc2)CC1 ZINC000715544650 780142181 /nfs/dbraw/zinc/14/21/81/780142181.db2.gz SMAHXFIQYNELQL-OFLPRAFFSA-N 2 0 276.424 2.573 20 0 CFADRP c1cc2c(cc1-c1ccc3c(c1)CC[NH2+]C3)CC[NH2+]C2 ZINC001240455633 780177384 /nfs/dbraw/zinc/17/73/84/780177384.db2.gz ZSYGSMUSVASGFI-UHFFFAOYSA-N 2 0 264.372 2.645 20 0 CFADRP [NH3+][C@H]1CCc2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc21 ZINC001240457683 780179831 /nfs/dbraw/zinc/17/98/31/780179831.db2.gz BJPIFOBSSCVTRA-SFHVURJKSA-N 2 0 264.372 2.945 20 0 CFADRP CSc1ccc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC001205040947 780234224 /nfs/dbraw/zinc/23/42/24/780234224.db2.gz MFCPBDDVPSJPGJ-UHFFFAOYSA-N 2 0 256.440 2.641 20 0 CFADRP CCC[N@H+](CCC[NH3+])[C@H]1Cc2cccc(Cl)c2C1 ZINC001168683913 780320321 /nfs/dbraw/zinc/32/03/21/780320321.db2.gz BYJCMLDRTDQQBQ-ZDUSSCGKSA-N 2 0 266.816 2.868 20 0 CFADRP c1cc(C2=CCC[NH2+]C2)cc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c12 ZINC001240669953 780343142 /nfs/dbraw/zinc/34/31/42/780343142.db2.gz UYFPQAPBFGAJPF-QEORTHHSSA-N 2 0 294.402 2.753 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C12CCC2 ZINC000453087492 780414143 /nfs/dbraw/zinc/41/41/43/780414143.db2.gz QBHBROTVFQWKMU-JKSUJKDBSA-N 2 0 278.440 2.551 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C12CCC2 ZINC000453149194 780419056 /nfs/dbraw/zinc/41/90/56/780419056.db2.gz ZTJJCDDDKARTFN-SJORKVTESA-N 2 0 292.467 2.941 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000453262883 780429588 /nfs/dbraw/zinc/42/95/88/780429588.db2.gz XVHSFJXZRVFVOZ-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168705980 780442836 /nfs/dbraw/zinc/44/28/36/780442836.db2.gz YFOIOQLUQCRQKY-RWMBFGLXSA-N 2 0 264.800 2.667 20 0 CFADRP C[NH2+]Cc1ccc(-c2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001240855699 780479641 /nfs/dbraw/zinc/47/96/41/780479641.db2.gz RWQQARFNRFCING-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP Cc1ccnc2cccc(C[NH+]3CCC(C[NH3+])CC3)c12 ZINC001205052751 780630371 /nfs/dbraw/zinc/63/03/71/780630371.db2.gz BSXQUBKBTKNKNA-UHFFFAOYSA-N 2 0 269.392 2.714 20 0 CFADRP Nc1cc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)ccn1 ZINC001241170606 780681995 /nfs/dbraw/zinc/68/19/95/780681995.db2.gz RRMLPUNAXGZCPZ-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP C[N@H+]1CC=C(c2cccc3c2C2(CC3)CC[NH2+]CC2)CC1 ZINC001241319104 780778939 /nfs/dbraw/zinc/77/89/39/780778939.db2.gz BFBNQIDCOLMUHZ-UHFFFAOYSA-N 2 0 282.431 2.973 20 0 CFADRP C[N@H+]1CC=C(c2ccc(C[NH+]3CCCCC3)cn2)CC1 ZINC001241333769 780787828 /nfs/dbraw/zinc/78/78/28/780787828.db2.gz YAAJMXCOGGIGFI-UHFFFAOYSA-N 2 0 271.408 2.786 20 0 CFADRP CC(C)[PH+](CCNc1ncnc2c1CC[NH2+]C2)C(C)C ZINC001162359085 780796270 /nfs/dbraw/zinc/79/62/70/780796270.db2.gz WFSIBLVSBCVVJU-UHFFFAOYSA-N 2 0 294.383 2.833 20 0 CFADRP c1cnc2ccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cc2c1 ZINC001241397906 780851216 /nfs/dbraw/zinc/85/12/16/780851216.db2.gz DBIZIJMMULZXGR-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP CCC(CC)[C@@H](C[NH2+]C1CCC(C)(O)CC1)N(C)C ZINC000703002124 780976485 /nfs/dbraw/zinc/97/64/85/780976485.db2.gz DHWBHLQIRCMVBN-HWOWSKLDSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@H](c1ccccc1Cl)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703547899 781028590 /nfs/dbraw/zinc/02/85/90/781028590.db2.gz MOMUAYPSNAMERB-TYNCELHUSA-N 2 0 264.800 2.942 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703546581 781028778 /nfs/dbraw/zinc/02/87/78/781028778.db2.gz FLSRRPJSNKJKSC-OSAQELSMSA-N 2 0 264.800 2.942 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@H]2CCSC2)CC1 ZINC000704770585 781114802 /nfs/dbraw/zinc/11/48/02/781114802.db2.gz JNFRREBDXNMRBT-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP c1nn(C2CC[NH2+]CC2)cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001241776701 781124167 /nfs/dbraw/zinc/12/41/67/781124167.db2.gz USPOIINWPQRTBO-SFHVURJKSA-N 2 0 296.418 2.899 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC001242025762 781239512 /nfs/dbraw/zinc/23/95/12/781239512.db2.gz UEBGOCIBEORPDD-MOPGFXCFSA-N 3 0 297.446 2.517 20 0 CFADRP C[NH+](C)Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC001242027932 781241435 /nfs/dbraw/zinc/24/14/35/781241435.db2.gz SCVXOTZSIKNEAA-KGLIPLIRSA-N 2 0 260.356 2.795 20 0 CFADRP CNc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)cn1 ZINC001242070918 781263629 /nfs/dbraw/zinc/26/36/29/781263629.db2.gz FWIRYVQOLMDXEM-UHFFFAOYSA-N 2 0 296.418 2.713 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cncc(C[NH+](C)C)c2)cc1 ZINC001242152649 781304246 /nfs/dbraw/zinc/30/42/46/781304246.db2.gz NEAHTKZYICSLKK-UHFFFAOYSA-N 2 0 299.418 2.751 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709731574 781304614 /nfs/dbraw/zinc/30/46/14/781304614.db2.gz CSEWOUNNYLVYIS-MJBXVCDLSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)CC[NH2+]1 ZINC000709500641 781311920 /nfs/dbraw/zinc/31/19/20/781311920.db2.gz MKFLPJBQEDBOPF-UTUOFQBUSA-N 2 0 264.335 2.649 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)sn1 ZINC000709839814 781319404 /nfs/dbraw/zinc/31/94/04/781319404.db2.gz YEWXUEZRCPYKOD-QLFBSQMISA-N 2 0 279.453 2.586 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C(F)(F)F ZINC000709869619 781320164 /nfs/dbraw/zinc/32/01/64/781320164.db2.gz TTXJJQWXSAUDIF-VXGBXAGGSA-N 2 0 264.335 2.636 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710004374 781325104 /nfs/dbraw/zinc/32/51/04/781325104.db2.gz AQBUXFBNCIDWSC-KGLIPLIRSA-N 2 0 266.433 2.581 20 0 CFADRP c1csc([C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000710469632 781334163 /nfs/dbraw/zinc/33/41/63/781334163.db2.gz XJWMFMWHPYMJOC-AWEZNQCLSA-N 2 0 279.453 2.712 20 0 CFADRP c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)cc2c1C[NH2+]C2 ZINC001242674453 781689541 /nfs/dbraw/zinc/68/95/41/781689541.db2.gz VYSHOVPLGMRTJZ-INIZCTEOSA-N 2 0 265.360 2.776 20 0 CFADRP Nc1[nH+]ccn1-c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC001242677091 781692417 /nfs/dbraw/zinc/69/24/17/781692417.db2.gz WWFUUHKCURUNBQ-UHFFFAOYSA-N 2 0 276.343 2.725 20 0 CFADRP Nc1[nH+]ccn1Cc1ccccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242676606 781692838 /nfs/dbraw/zinc/69/28/38/781692838.db2.gz RPBWLVNANFBBLB-UHFFFAOYSA-N 2 0 290.370 2.784 20 0 CFADRP [NH3+]Cc1ccnc(C2=CC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001242686872 781695792 /nfs/dbraw/zinc/69/57/92/781695792.db2.gz JEYDEDPZRZQBET-HNNXBMFYSA-N 2 0 257.381 2.572 20 0 CFADRP c1cc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc2c1C[NH2+]CC2 ZINC001242689133 781698229 /nfs/dbraw/zinc/69/82/29/781698229.db2.gz WUXADQVDJFKOBN-INIZCTEOSA-N 2 0 283.419 2.759 20 0 CFADRP C[NH+]1CCC(n2cc(-c3cccc(C4([NH3+])CC4)c3)cn2)CC1 ZINC001242730206 781727034 /nfs/dbraw/zinc/72/70/34/781727034.db2.gz BPJHXWGMQBSQNJ-UHFFFAOYSA-N 2 0 296.418 2.765 20 0 CFADRP CCC[C@@H](C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)OC ZINC001119236691 781751222 /nfs/dbraw/zinc/75/12/22/781751222.db2.gz ACJWOKRANUGSNN-GJZGRUSLSA-N 2 0 256.434 2.608 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CC3(Cl)Cl)C[C@@H]2C1 ZINC001119988095 781883986 /nfs/dbraw/zinc/88/39/86/781883986.db2.gz FLFZJQKOXYZWFM-YVECIDJPSA-N 2 0 291.266 2.842 20 0 CFADRP C[NH2+]Cc1ccc(-c2cccc3c2C[NH2+]CC3)cc1 ZINC001242992333 781905316 /nfs/dbraw/zinc/90/53/16/781905316.db2.gz ONDIVXBQYDUARW-UHFFFAOYSA-N 2 0 252.361 2.719 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(-n3cc[nH+]c3N)cc2)c1 ZINC001242998988 781914400 /nfs/dbraw/zinc/91/44/00/781914400.db2.gz BRZZAQJGRHWDSZ-UHFFFAOYSA-N 2 0 278.359 2.841 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1C ZINC000273041908 192028836 /nfs/dbraw/zinc/02/88/36/192028836.db2.gz HUWJOPGUOXVQRB-CQSZACIVSA-N 2 0 264.413 2.996 20 0 CFADRP COC[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000124732181 187151225 /nfs/dbraw/zinc/15/12/25/187151225.db2.gz MHILBGMEGDHDGU-OAGGEKHMSA-N 2 0 290.451 2.768 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2n1 ZINC000124807953 187154870 /nfs/dbraw/zinc/15/48/70/187154870.db2.gz OULAVMCUDGRQNQ-HIFRSBDPSA-N 2 0 299.418 2.816 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450410508 282121948 /nfs/dbraw/zinc/12/19/48/282121948.db2.gz ZBERRRNOWQQNPC-STQMWFEESA-N 2 0 260.372 2.695 20 0 CFADRP C[C@H](CSCCF)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000595022896 349553847 /nfs/dbraw/zinc/55/38/47/349553847.db2.gz QGPHIJJASFVVMA-IYXRBSQSSA-N 2 0 276.465 2.788 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000595033995 349558545 /nfs/dbraw/zinc/55/85/45/349558545.db2.gz OBHXCQBRRYRMBI-CQSZACIVSA-N 2 0 298.471 2.676 20 0 CFADRP CCSC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000595097716 349581487 /nfs/dbraw/zinc/58/14/87/349581487.db2.gz CXWTZTLYHADKBJ-UHFFFAOYSA-N 2 0 256.459 2.735 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000127819169 187334926 /nfs/dbraw/zinc/33/49/26/187334926.db2.gz PPSBGZYSTCVOFP-KBPBESRZSA-N 2 0 295.496 2.597 20 0 CFADRP CCc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)o1 ZINC000125408087 187183654 /nfs/dbraw/zinc/18/36/54/187183654.db2.gz BHRBFSNEOLQRAG-UHFFFAOYSA-N 2 0 250.386 2.664 20 0 CFADRP CC[C@H](COC)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125518627 187189219 /nfs/dbraw/zinc/18/92/19/187189219.db2.gz NAOFYIXXXLSJMG-OAHLLOKOSA-N 2 0 296.480 2.975 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414821266 529425203 /nfs/dbraw/zinc/42/52/03/529425203.db2.gz ASPTXPHYZDRWNX-DLBZAZTESA-N 2 0 260.425 2.905 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(CCCC(=O)OC(C)(C)C)C2 ZINC000595504982 349644208 /nfs/dbraw/zinc/64/42/08/349644208.db2.gz OGTSOSIYBYPCCD-KRWDZBQOSA-N 2 0 296.455 2.526 20 0 CFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]([NH3+])C(C)C ZINC000414795192 529426436 /nfs/dbraw/zinc/42/64/36/529426436.db2.gz MVJFNCWMVNQPTK-CABCVRRESA-N 2 0 294.439 2.598 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414898728 529430590 /nfs/dbraw/zinc/43/05/90/529430590.db2.gz BXQKACRAUMZUMB-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CC2([NH3+])CCCCCC2)CCO1 ZINC000414858035 529442426 /nfs/dbraw/zinc/44/24/26/529442426.db2.gz HMZMZFWLYBICCF-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP CC[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000425999157 529474726 /nfs/dbraw/zinc/47/47/26/529474726.db2.gz BUXGRHVQTFOHTP-BHYGNILZSA-N 2 0 258.409 2.674 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000070187478 346907380 /nfs/dbraw/zinc/90/73/80/346907380.db2.gz QECBZNRQYWIKTB-UHFFFAOYSA-N 2 0 254.324 2.526 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403319070 290026745 /nfs/dbraw/zinc/02/67/45/290026745.db2.gz IKDSOKYHEDQACQ-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CCCC[NH+](C)C)C2CC2)c1 ZINC000269850725 190559240 /nfs/dbraw/zinc/55/92/40/190559240.db2.gz FRHVZACSWUVMDS-GOSISDBHSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C[NH+]1CCCCC1 ZINC000408510536 290030426 /nfs/dbraw/zinc/03/04/26/290030426.db2.gz RTGWEMOXYOYWBL-QXSJWSMHSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1C ZINC000414156698 529593070 /nfs/dbraw/zinc/59/30/70/529593070.db2.gz VITOIQXELXFNEK-WQVCFCJDSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OC)c1 ZINC000423347567 529593479 /nfs/dbraw/zinc/59/34/79/529593479.db2.gz QPZXZQBYAHQIEV-INIZCTEOSA-N 2 0 260.381 2.656 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC1(C)C ZINC000414125688 529585143 /nfs/dbraw/zinc/58/51/43/529585143.db2.gz QHMALUWUUSHMNZ-XIRDDKMYSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000423251695 529605770 /nfs/dbraw/zinc/60/57/70/529605770.db2.gz SKTJUMCTCFRVDF-WFASDCNBSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccccc1OC ZINC000423279051 529610348 /nfs/dbraw/zinc/61/03/48/529610348.db2.gz RSNNUYDWIKADRO-JSGCOSHPSA-N 2 0 250.386 2.591 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccs1 ZINC000126151749 187220427 /nfs/dbraw/zinc/22/04/27/187220427.db2.gz MWHMOXPLMXROKO-RYUDHWBXSA-N 2 0 252.427 2.743 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423316326 529623280 /nfs/dbraw/zinc/62/32/80/529623280.db2.gz ALMHFSAXGHRANS-ZDUSSCGKSA-N 2 0 261.413 2.684 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423269320 529623621 /nfs/dbraw/zinc/62/36/21/529623621.db2.gz FKKYFDFZRLQWOT-CFVMTHIKSA-N 2 0 261.413 2.812 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422920750 529613923 /nfs/dbraw/zinc/61/39/23/529613923.db2.gz NOKOIQXCVXQARM-VGWMRTNUSA-N 2 0 268.445 2.558 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422838096 529614935 /nfs/dbraw/zinc/61/49/35/529614935.db2.gz WCMSZRTYCRJSJP-SZMVWBNQSA-N 2 0 287.451 2.633 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[C@H]1c1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423177768 529615843 /nfs/dbraw/zinc/61/58/43/529615843.db2.gz HVZYGNDJWFIEEX-DKIMLUQUSA-N 2 0 288.435 2.919 20 0 CFADRP CCc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414781683 529646732 /nfs/dbraw/zinc/64/67/32/529646732.db2.gz NLLDYOXMGVZAEW-QWHCGFSZSA-N 2 0 279.453 2.527 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422937371 529650492 /nfs/dbraw/zinc/65/04/92/529650492.db2.gz GEVXGJXVMPDYRX-OBJOEFQTSA-N 2 0 278.396 2.624 20 0 CFADRP CCc1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000421372681 529651888 /nfs/dbraw/zinc/65/18/88/529651888.db2.gz LHPKITSSQMQGFS-UHFFFAOYSA-N 2 0 261.413 2.606 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422937369 529665294 /nfs/dbraw/zinc/66/52/94/529665294.db2.gz GEVXGJXVMPDYRX-BZPMIXESSA-N 2 0 278.396 2.624 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CCCCC1 ZINC000371293885 282214729 /nfs/dbraw/zinc/21/47/29/282214729.db2.gz IBQOXOABTGAUBY-ZACQAIPSSA-N 2 0 280.456 2.750 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422745366 529682700 /nfs/dbraw/zinc/68/27/00/529682700.db2.gz XOELTLNRGCZBBQ-MSOLQXFVSA-N 2 0 287.451 2.776 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)[C@H]1CC1(C)C ZINC000414064658 529681594 /nfs/dbraw/zinc/68/15/94/529681594.db2.gz FASXKWOKLWJSLL-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000422894505 282249129 /nfs/dbraw/zinc/24/91/29/282249129.db2.gz UAAGTLUPPPTEFR-IXDOHACOSA-N 2 0 281.488 2.747 20 0 CFADRP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000264684474 282256955 /nfs/dbraw/zinc/25/69/55/282256955.db2.gz VXFSONIPETYCNN-ZDUSSCGKSA-N 2 0 255.365 2.765 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000250381411 282276937 /nfs/dbraw/zinc/27/69/37/282276937.db2.gz DXLMXDARQJCXOY-IKGGRYGDSA-N 2 0 281.488 2.569 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[NH+]1CCCC1 ZINC000422815474 282276889 /nfs/dbraw/zinc/27/68/89/282276889.db2.gz BWIKULHHJSAXAZ-JQHSSLGASA-N 2 0 295.515 2.865 20 0 CFADRP CCc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422731962 529723711 /nfs/dbraw/zinc/72/37/11/529723711.db2.gz OORKMUZSBWYTAR-WBAXXEDZSA-N 2 0 289.467 2.582 20 0 CFADRP CCc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC000422732485 529723757 /nfs/dbraw/zinc/72/37/57/529723757.db2.gz OORKMUZSBWYTAR-OLMNPRSZSA-N 2 0 289.467 2.582 20 0 CFADRP CC(C)(C)C1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668234499 539337799 /nfs/dbraw/zinc/33/77/99/539337799.db2.gz KUFXTZZMLFKWJU-UHFFFAOYSA-N 2 0 270.380 2.745 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789218 529794667 /nfs/dbraw/zinc/79/46/67/529794667.db2.gz YAWZAHANTMUAHT-HOTGVXAUSA-N 2 0 287.451 2.574 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1F ZINC000119416693 539349999 /nfs/dbraw/zinc/34/99/99/539349999.db2.gz HKOPASPZLGSBDI-CYBMUJFWSA-N 2 0 264.388 2.954 20 0 CFADRP CN(CCC[NH+]1CCCCC1)C(C)(C)C[NH+]1CCCC1 ZINC000419373730 529887263 /nfs/dbraw/zinc/88/72/63/529887263.db2.gz MXSOLSTURHSKQW-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1F ZINC000422713388 529891738 /nfs/dbraw/zinc/89/17/38/529891738.db2.gz JPXNLULJANGDRC-GDBMZVCRSA-N 2 0 293.430 2.759 20 0 CFADRP CN(CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1F ZINC000422717701 529891867 /nfs/dbraw/zinc/89/18/67/529891867.db2.gz OYRBWKNOQAYBGK-HOTGVXAUSA-N 2 0 293.430 2.902 20 0 CFADRP CN(CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422804533 529918002 /nfs/dbraw/zinc/91/80/02/529918002.db2.gz FJJWUGQDGFWRNT-QZTJIDSGSA-N 2 0 281.403 2.857 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)C[NH+]1CCCCC1 ZINC000348100159 539383815 /nfs/dbraw/zinc/38/38/15/539383815.db2.gz FDCKMOGZABBILJ-BMFZPTHFSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)C[NH+]1CCCCC1 ZINC000348100162 539383713 /nfs/dbraw/zinc/38/37/13/539383713.db2.gz FDCKMOGZABBILJ-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCS1 ZINC000120407028 539384574 /nfs/dbraw/zinc/38/45/74/539384574.db2.gz NPXGVQCMERXIKG-OAHLLOKOSA-N 2 0 268.470 2.736 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000423198683 529971370 /nfs/dbraw/zinc/97/13/70/529971370.db2.gz HFNFCUWYVMNZFR-NSHDSACASA-N 2 0 290.436 2.774 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423208572 529971464 /nfs/dbraw/zinc/97/14/64/529971464.db2.gz ZGPALRNTHDWMHM-HNNXBMFYSA-N 2 0 266.816 2.860 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423209308 529971745 /nfs/dbraw/zinc/97/17/45/529971745.db2.gz ZUWWORYJZCXEDP-SNVBAGLBSA-N 2 0 258.312 2.548 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414862612 529971317 /nfs/dbraw/zinc/97/13/17/529971317.db2.gz VPNOVKDLZBACIM-LBPRGKRZSA-N 2 0 297.830 2.565 20 0 CFADRP CC1(C)CCCN(CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348297575 539390621 /nfs/dbraw/zinc/39/06/21/539390621.db2.gz ZRPDWGLNHGSFJX-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348318546 539391147 /nfs/dbraw/zinc/39/11/47/539391147.db2.gz YMYUHUNGLXPDAN-KKUMJFAQSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423270327 529985866 /nfs/dbraw/zinc/98/58/66/529985866.db2.gz HSPCACOBDQDECJ-IAQYHMDHSA-N 2 0 250.361 2.648 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000423285292 529985891 /nfs/dbraw/zinc/98/58/91/529985891.db2.gz ZHZFJAFKQHICTC-QMTHXVAHSA-N 2 0 297.240 2.882 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1F ZINC000414832132 529985914 /nfs/dbraw/zinc/98/59/14/529985914.db2.gz DUDZJDJXRWGTMH-CHWSQXEVSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423266486 529985987 /nfs/dbraw/zinc/98/59/87/529985987.db2.gz DANDGLTUFXSJPK-UKRRQHHQSA-N 2 0 262.397 2.654 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423266109 529986307 /nfs/dbraw/zinc/98/63/07/529986307.db2.gz CUAMSLUKRTUDFT-DYVFJYSZSA-N 2 0 288.435 2.834 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414829038 529998679 /nfs/dbraw/zinc/99/86/79/529998679.db2.gz AFQGQFCQFMLSIV-HNNXBMFYSA-N 2 0 299.418 2.606 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423279989 529998794 /nfs/dbraw/zinc/99/87/94/529998794.db2.gz TXUNOADOLIRVCU-HLIUYOAVSA-N 2 0 268.445 2.702 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414848403 529999724 /nfs/dbraw/zinc/99/97/24/529999724.db2.gz WXKGODXMTQCBSW-NWDGAFQWSA-N 2 0 254.805 2.716 20 0 CFADRP C[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC([NH3+])C1 ZINC000414766934 529992528 /nfs/dbraw/zinc/99/25/28/529992528.db2.gz FGNDNMMNVPWFSO-UHFFFAOYSA-N 2 0 267.376 2.670 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000270431641 190682588 /nfs/dbraw/zinc/68/25/88/190682588.db2.gz IBYGBSQEDAEVKF-CQSZACIVSA-N 2 0 276.424 2.561 20 0 CFADRP C[C@H]([NH2+][C@H](C1CC1)C1CCC1)C1CC[NH+](C)CC1 ZINC000324716718 539420151 /nfs/dbraw/zinc/42/01/51/539420151.db2.gz XNPFFXITEUDCQX-LRDDRELGSA-N 2 0 250.430 2.885 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348372113 539437774 /nfs/dbraw/zinc/43/77/74/539437774.db2.gz HVIPQYCSCMMJBD-XWTMOSNGSA-N 2 0 292.467 2.533 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000127366564 187300140 /nfs/dbraw/zinc/30/01/40/187300140.db2.gz VQWCJZQOOYOHGY-FUHWJXTLSA-N 2 0 289.467 2.672 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000090764290 282392280 /nfs/dbraw/zinc/39/22/80/282392280.db2.gz JPPGDAPXEAGVDD-OXJKWZBOSA-N 2 0 279.428 2.713 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000089550927 539469642 /nfs/dbraw/zinc/46/96/42/539469642.db2.gz HLPDLTHZBDQLCV-HOCLYGCPSA-N 2 0 276.424 2.558 20 0 CFADRP c1ccc2c(c1)CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000123884035 539512296 /nfs/dbraw/zinc/51/22/96/539512296.db2.gz YTTNBIVGZBLCJJ-UHFFFAOYSA-N 2 0 278.399 2.891 20 0 CFADRP Cc1ccncc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668486188 539525756 /nfs/dbraw/zinc/52/57/56/539525756.db2.gz CAAJEGHUBCIOMX-UHFFFAOYSA-N 2 0 296.418 2.586 20 0 CFADRP CCc1ccc(C)[nH+]c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668479194 539521013 /nfs/dbraw/zinc/52/10/13/539521013.db2.gz VALWIZJJKSISLU-MRXNPFEDSA-N 2 0 289.423 2.618 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C)CC2)[C@H](C)[C@H]1OC ZINC000344103234 282445412 /nfs/dbraw/zinc/44/54/12/282445412.db2.gz OGAJJHOZTJNEAO-NUEKZKHPSA-N 2 0 282.472 2.758 20 0 CFADRP c1ccc(C(c2ccccc2)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090320602 539528433 /nfs/dbraw/zinc/52/84/33/539528433.db2.gz GEIOVLGODYHJOG-QZTJIDSGSA-N 2 0 278.399 2.927 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)[C@@H]1OC ZINC000423365389 282456328 /nfs/dbraw/zinc/45/63/28/282456328.db2.gz BDXFDIICIUOZKF-AHDPXTMNSA-N 2 0 268.445 2.686 20 0 CFADRP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044532516 346394754 /nfs/dbraw/zinc/39/47/54/346394754.db2.gz JYROIOLRGGJNCM-INIZCTEOSA-N 2 0 276.424 2.907 20 0 CFADRP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000341300015 290140585 /nfs/dbraw/zinc/14/05/85/290140585.db2.gz LMZBWXGEAAEIQN-QBYUYEEZSA-N 2 0 282.472 2.779 20 0 CFADRP CSCC1CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC1 ZINC000596654015 349969557 /nfs/dbraw/zinc/96/95/57/349969557.db2.gz NNPMEQDJMKJOFT-JXQTWKCFSA-N 2 0 258.475 2.871 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000596648088 349967689 /nfs/dbraw/zinc/96/76/89/349967689.db2.gz IDJMCSRDDIWDOI-QWHCGFSZSA-N 2 0 256.459 2.627 20 0 CFADRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+](C)C ZINC000066245179 346751414 /nfs/dbraw/zinc/75/14/14/346751414.db2.gz CCZYMXNWNHTNAR-OAHLLOKOSA-N 2 0 276.428 2.989 20 0 CFADRP CCC(C)(C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000076398929 347136820 /nfs/dbraw/zinc/13/68/20/347136820.db2.gz QFIZBGZCKFFHKD-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP COc1cc(F)cc(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000312251981 232654814 /nfs/dbraw/zinc/65/48/14/232654814.db2.gz IKFADNZVYVCYRB-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP CCCCC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000080645716 347371678 /nfs/dbraw/zinc/37/16/78/347371678.db2.gz KWPIXLIPQVMJFP-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCCOc2ccc(F)cc2)CC[NH2+]1 ZINC000414705430 297248298 /nfs/dbraw/zinc/24/82/98/297248298.db2.gz NJUHJIDAQMWEQX-CABCVRRESA-N 2 0 294.414 2.915 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000090219802 347545765 /nfs/dbraw/zinc/54/57/65/347545765.db2.gz XIOCRTAIKCUKAP-HRCADAONSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000090585332 347552294 /nfs/dbraw/zinc/55/22/94/347552294.db2.gz NJPYPMOGIQVWIS-HOTGVXAUSA-N 2 0 282.472 2.759 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090727826 347555460 /nfs/dbraw/zinc/55/54/60/347555460.db2.gz PMCFVARAIHNSSU-KCPJHIHWSA-N 2 0 277.412 2.611 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000090800026 347557116 /nfs/dbraw/zinc/55/71/16/347557116.db2.gz LMLOBQUIZALNAL-OBHHBEAMSA-N 2 0 294.483 2.923 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000091284511 347581345 /nfs/dbraw/zinc/58/13/45/347581345.db2.gz WRJOMIZVGYCEHV-PBHICJAKSA-N 2 0 273.424 2.853 20 0 CFADRP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000090526469 347551427 /nfs/dbraw/zinc/55/14/27/347551427.db2.gz GZMMICWUXQVSJB-SQNIBIBYSA-N 2 0 294.483 2.779 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000093742123 347681798 /nfs/dbraw/zinc/68/17/98/347681798.db2.gz JQHLVZIDVYJISO-AWEZNQCLSA-N 2 0 286.423 2.727 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1N(C)C ZINC000093943738 347689346 /nfs/dbraw/zinc/68/93/46/347689346.db2.gz NMAWTOIMWJJFDW-UONOGXRCSA-N 2 0 263.429 2.743 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000094010003 347690025 /nfs/dbraw/zinc/69/00/25/347690025.db2.gz PZVBBDDRRDCAEQ-NSHDSACASA-N 2 0 284.350 2.938 20 0 CFADRP C[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094341318 347695517 /nfs/dbraw/zinc/69/55/17/347695517.db2.gz IKWXJCPSXNHNBI-DOMZBBRYSA-N 2 0 282.815 2.778 20 0 CFADRP C[N@H+](CCCN[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000093215136 347666390 /nfs/dbraw/zinc/66/63/90/347666390.db2.gz VZKSVALHQXGJGT-GJZGRUSLSA-N 2 0 267.461 2.501 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nccs1 ZINC000104355417 347725339 /nfs/dbraw/zinc/72/53/39/347725339.db2.gz INEGZNJNRUEILO-LBPRGKRZSA-N 2 0 255.431 2.743 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000111763365 347756214 /nfs/dbraw/zinc/75/62/14/347756214.db2.gz RENXIBMMMQJTGB-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000090545776 539590678 /nfs/dbraw/zinc/59/06/78/539590678.db2.gz VVFNGZZIHYWWEO-XIRDDKMYSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000130295847 539587879 /nfs/dbraw/zinc/58/78/79/539587879.db2.gz ODEVWONIKRKTQU-SJORKVTESA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000141300187 347930564 /nfs/dbraw/zinc/93/05/64/347930564.db2.gz OHIMXWWFVJYJSF-UHFFFAOYSA-N 2 0 258.409 2.994 20 0 CFADRP CCc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000225374722 348176808 /nfs/dbraw/zinc/17/68/08/348176808.db2.gz XZCVWSATUHPYLW-LBPRGKRZSA-N 2 0 252.427 2.790 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC(F)(F)F ZINC000211081268 348158657 /nfs/dbraw/zinc/15/86/57/348158657.db2.gz GWUDMYXQQARYLF-GMTAPVOTSA-N 2 0 252.324 2.647 20 0 CFADRP Cc1cnc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000236000078 348230918 /nfs/dbraw/zinc/23/09/18/348230918.db2.gz ZPGBRKDXYQLQKU-UHFFFAOYSA-N 2 0 288.420 2.605 20 0 CFADRP C[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000251693085 348292974 /nfs/dbraw/zinc/29/29/74/348292974.db2.gz IKWXJCPSXNHNBI-IUODEOHRSA-N 2 0 282.815 2.778 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](CC3(C)CCC3)C2)CC1 ZINC000349188173 539614709 /nfs/dbraw/zinc/61/47/09/539614709.db2.gz LGNOOSPXVWMUCI-OAHLLOKOSA-N 2 0 250.430 2.840 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000125110412 539626377 /nfs/dbraw/zinc/62/63/77/539626377.db2.gz DVWMBNFWAYEWCA-ZACQAIPSSA-N 2 0 292.467 2.798 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000273395951 192137636 /nfs/dbraw/zinc/13/76/36/192137636.db2.gz VOVZZPIQKUKNSG-HNNXBMFYSA-N 2 0 298.434 2.509 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401025267 348576438 /nfs/dbraw/zinc/57/64/38/348576438.db2.gz NFWAFJJHKFEXMH-XQLPTFJDSA-N 2 0 250.430 2.933 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000090723071 539655582 /nfs/dbraw/zinc/65/55/82/539655582.db2.gz RGPUAVHBOMUAGK-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)c1nccs1)C1CC[NH+](C)CC1 ZINC000230678382 539659587 /nfs/dbraw/zinc/65/95/87/539659587.db2.gz PTDFJGWMUYKLHD-NWDGAFQWSA-N 2 0 267.442 2.567 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000092327447 539676304 /nfs/dbraw/zinc/67/63/04/539676304.db2.gz RFJIOVDPTWQABJ-QWRGUYRKSA-N 2 0 265.401 2.672 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000094275106 539667930 /nfs/dbraw/zinc/66/79/30/539667930.db2.gz PHZIRUWBCUKYLJ-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000091859362 539668943 /nfs/dbraw/zinc/66/89/43/539668943.db2.gz PIUXXJWMPYHTTO-HUUCEWRRSA-N 2 0 276.424 2.857 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)CC(F)(F)F ZINC000397047241 539671544 /nfs/dbraw/zinc/67/15/44/539671544.db2.gz QBNFPYXARCWPLG-MNOVXSKESA-N 2 0 266.351 2.895 20 0 CFADRP CC[NH+](CC)CCCN(C)Cc1ccc(OC)c(OC)c1 ZINC000590000562 348869004 /nfs/dbraw/zinc/86/90/04/348869004.db2.gz KMJPEEQFHSMCHB-UHFFFAOYSA-N 2 0 294.439 2.868 20 0 CFADRP C[C@@H](O)C1([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000668700646 539702945 /nfs/dbraw/zinc/70/29/45/539702945.db2.gz UNKMRSIGWAXYHJ-IIAWOOMASA-N 2 0 280.456 2.533 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000295154642 199375471 /nfs/dbraw/zinc/37/54/71/199375471.db2.gz DBEOXPHDCRBBIT-CQSZACIVSA-N 2 0 289.423 2.609 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000591578365 349031821 /nfs/dbraw/zinc/03/18/21/349031821.db2.gz WTZCUDWGHNMKGZ-JYJNAYRXSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccn(C)n1 ZINC000414076748 233161768 /nfs/dbraw/zinc/16/17/68/233161768.db2.gz QKZZQJWKLIABTE-HNNXBMFYSA-N 2 0 278.444 2.583 20 0 CFADRP CC[C@@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1[NH3+] ZINC000592427559 349118964 /nfs/dbraw/zinc/11/89/64/349118964.db2.gz CCVIKJWTQHWKCY-HZPDHXFCSA-N 2 0 278.465 2.979 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414189202 233191722 /nfs/dbraw/zinc/19/17/22/233191722.db2.gz RDHIZSORUIWJFT-HOCLYGCPSA-N 2 0 273.380 2.629 20 0 CFADRP C[NH+](C)CCc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000273995059 192394202 /nfs/dbraw/zinc/39/42/02/192394202.db2.gz YHEHWFUVDQIUFC-UHFFFAOYSA-N 2 0 297.402 2.502 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000331863869 302658416 /nfs/dbraw/zinc/65/84/16/302658416.db2.gz ZCJLCRQUQDOJCH-NQBHXWOUSA-N 2 0 265.426 2.688 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)nn1 ZINC000414360192 233238110 /nfs/dbraw/zinc/23/81/10/233238110.db2.gz GKSCIBDRQRMYIB-UHFFFAOYSA-N 2 0 290.455 2.633 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000668739899 539743769 /nfs/dbraw/zinc/74/37/69/539743769.db2.gz PQGHUTZVTAHPNH-QILLFSRXSA-N 2 0 292.467 2.510 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000305773211 539741879 /nfs/dbraw/zinc/74/18/79/539741879.db2.gz LMCAYTLJAUSTCV-RDJZCZTQSA-N 2 0 282.472 2.782 20 0 CFADRP COC(=O)c1ccc(CN(C)CCC[NH+](C)C)cc1Cl ZINC000597126631 350033831 /nfs/dbraw/zinc/03/38/31/350033831.db2.gz GFJSFNGDSZFXND-UHFFFAOYSA-N 2 0 298.814 2.510 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000090578006 180008523 /nfs/dbraw/zinc/00/85/23/180008523.db2.gz OUJJKLZQKGDRID-CRAIPNDOSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3cccnc32)CC[N@@H+]1C ZINC000090720972 180031244 /nfs/dbraw/zinc/03/12/44/180031244.db2.gz BAYJCRDPEXRCTP-CJNGLKHVSA-N 2 0 269.392 2.807 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](OC)c2ccccc2)CC1 ZINC000131397657 539759204 /nfs/dbraw/zinc/75/92/04/539759204.db2.gz WZPMKUKZTMKXRA-KRWDZBQOSA-N 2 0 276.424 2.838 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000090937080 180068376 /nfs/dbraw/zinc/06/83/76/180068376.db2.gz LMXPROGRNGYGTM-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@@H]21 ZINC000414659715 233317852 /nfs/dbraw/zinc/31/78/52/233317852.db2.gz LMROOGBKFALDJU-RSJGLCBASA-N 2 0 270.420 2.849 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414677829 233322151 /nfs/dbraw/zinc/32/21/51/233322151.db2.gz PMOGEBKEKPREHL-JKIFEVAISA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccccc3F)C2)CC[NH2+]1 ZINC000414692934 233329748 /nfs/dbraw/zinc/32/97/48/233329748.db2.gz MHJOBZMBPFPQER-KEYYUXOJSA-N 2 0 292.398 2.587 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)CC[NH2+]1 ZINC000414697561 233330516 /nfs/dbraw/zinc/33/05/16/233330516.db2.gz RGHWOAWXOTVYEZ-JKIFEVAISA-N 2 0 292.398 2.587 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(Cc3cccnc3)CC2)CC[NH2+]1 ZINC000414748894 233342315 /nfs/dbraw/zinc/34/23/15/233342315.db2.gz XNPYWIWUFIWXLF-MAUKXSAKSA-N 2 0 287.451 2.724 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccsc3)C2)CC[NH2+]1 ZINC000414711941 233335124 /nfs/dbraw/zinc/33/51/24/233335124.db2.gz TWXNYIAFXFIMDC-VNHYZAJKSA-N 2 0 280.437 2.510 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccc1)C1CC[NH+](C)CC1 ZINC000132138300 539773922 /nfs/dbraw/zinc/77/39/22/539773922.db2.gz GMKJDGFUBHSUPK-OAHLLOKOSA-N 2 0 275.440 2.809 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3cccc(F)c3)CC2)CC[NH2+]1 ZINC000414715463 233337107 /nfs/dbraw/zinc/33/71/07/233337107.db2.gz WXJNXHGGQIPWKN-OLZOCXBDSA-N 2 0 262.372 2.793 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCNc2ccccc2)CC1 ZINC000131996869 539772012 /nfs/dbraw/zinc/77/20/12/539772012.db2.gz MKZOCMMEWUHNAF-UHFFFAOYSA-N 2 0 275.440 2.953 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414796236 233355194 /nfs/dbraw/zinc/35/51/94/233355194.db2.gz HDPVDAMUJXTTSY-OCCSQVGLSA-N 2 0 284.350 2.895 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414800792 233356573 /nfs/dbraw/zinc/35/65/73/233356573.db2.gz LKVAAAXRBAPRJT-IAGOWNOFSA-N 2 0 288.435 2.661 20 0 CFADRP [NH3+]CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000414757804 233343448 /nfs/dbraw/zinc/34/34/48/233343448.db2.gz TXTARRSFWJZDJE-NSHDSACASA-N 2 0 289.206 2.795 20 0 CFADRP c1ccc(OCCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414763007 233345227 /nfs/dbraw/zinc/34/52/27/233345227.db2.gz BDWSQUUJUPABNH-CALCHBBNSA-N 2 0 288.435 2.777 20 0 CFADRP Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414777311 233348277 /nfs/dbraw/zinc/34/82/77/233348277.db2.gz HZSFALWWQVVJLW-IAGOWNOFSA-N 2 0 258.409 2.817 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789052 233351788 /nfs/dbraw/zinc/35/17/88/233351788.db2.gz XSZWOXRIOCLLOF-HOTGVXAUSA-N 2 0 288.435 2.907 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414794206 233352939 /nfs/dbraw/zinc/35/29/39/233352939.db2.gz FJVRBHREXUFECK-GWCFXTLKSA-N 2 0 272.314 2.711 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)c1 ZINC000414792488 233353021 /nfs/dbraw/zinc/35/30/21/233353021.db2.gz IZOHGTYJTVOHPX-GJZGRUSLSA-N 2 0 291.439 2.593 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000414793701 233353303 /nfs/dbraw/zinc/35/33/03/233353303.db2.gz DUGSFKBDYSXSGD-CVEARBPZSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000414802332 233357782 /nfs/dbraw/zinc/35/77/82/233357782.db2.gz MSBJEHXKVJMRHB-DOTOQJQBSA-N 2 0 276.424 2.953 20 0 CFADRP Cc1cccn2c(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)cnc12 ZINC000414807170 233360277 /nfs/dbraw/zinc/36/02/77/233360277.db2.gz IOKGTXROKFPFCE-CQSZACIVSA-N 2 0 294.402 2.952 20 0 CFADRP Cc1ncccc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414809010 233360620 /nfs/dbraw/zinc/36/06/20/233360620.db2.gz LQYPJZUQVNAKJN-LBPRGKRZSA-N 2 0 255.365 2.700 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000414812176 233362376 /nfs/dbraw/zinc/36/23/76/233362376.db2.gz XAXUZWSHEJUQJT-ZBFHGGJFSA-N 2 0 284.407 2.684 20 0 CFADRP Cn1cc(-c2cccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])c2)cn1 ZINC000414815052 233363367 /nfs/dbraw/zinc/36/33/67/233363367.db2.gz ZVKJEQGCZLBUHO-FUHWJXTLSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825026 233366802 /nfs/dbraw/zinc/36/68/02/233366802.db2.gz GORWZAWRCXWDKT-ILNABNIYSA-N 2 0 299.462 2.695 20 0 CFADRP c1sc(C[NH2+]CC[C@H]2CC[NH2+]C2)nc1-c1ccccc1 ZINC000414832801 233371139 /nfs/dbraw/zinc/37/11/39/233371139.db2.gz OYNKJHKCLYHJFP-CYBMUJFWSA-N 2 0 287.432 2.899 20 0 CFADRP CCn1nc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000414833008 233372076 /nfs/dbraw/zinc/37/20/76/233372076.db2.gz FRXCOPNIEQXDQJ-AWEZNQCLSA-N 2 0 286.423 2.536 20 0 CFADRP C[C@H](C[NH2+]CC1([NH3+])CCCCC1)CC1CCOCC1 ZINC000414836238 233372293 /nfs/dbraw/zinc/37/22/93/233372293.db2.gz FNOFADGLEPTHDT-AWEZNQCLSA-N 2 0 268.445 2.690 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414840174 233373865 /nfs/dbraw/zinc/37/38/65/233373865.db2.gz YCKNGGFDMDBFLC-BZSNNMDCSA-N 2 0 272.436 2.987 20 0 CFADRP c1ccc(OCCCCC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414842372 233375067 /nfs/dbraw/zinc/37/50/67/233375067.db2.gz BEOMBZWAHQGBAN-INIZCTEOSA-N 2 0 276.424 2.825 20 0 CFADRP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H](C)C[NH3+] ZINC000414874680 233386032 /nfs/dbraw/zinc/38/60/32/233386032.db2.gz ISVUKCRIVBZQCJ-NSHDSACASA-N 2 0 292.814 2.519 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2([NH3+])CCC2)C1 ZINC000414880018 233388516 /nfs/dbraw/zinc/38/85/16/233388516.db2.gz QGVUZMAWHIYMKF-HOTGVXAUSA-N 2 0 258.409 2.968 20 0 CFADRP [NH3+][C@H](C[NH2+]CCCc1c(F)cccc1Cl)C1CC1 ZINC000414888081 233389361 /nfs/dbraw/zinc/38/93/61/233389361.db2.gz JTAGGXRSKBRCRG-CQSZACIVSA-N 2 0 270.779 2.739 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895672 233392126 /nfs/dbraw/zinc/39/21/26/233392126.db2.gz YNITXJAQEMFHMM-YGRLFVJLSA-N 2 0 252.789 2.598 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000414908206 233396087 /nfs/dbraw/zinc/39/60/87/233396087.db2.gz RKEBUCZCUIZUJC-ORQFMDKSSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000414910948 233396299 /nfs/dbraw/zinc/39/62/99/233396299.db2.gz VZJWYYABIDUKII-NUJGCVRESA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCC[NH3+] ZINC000414914161 233396759 /nfs/dbraw/zinc/39/67/59/233396759.db2.gz XEJQRDMOKFBEMA-LLVKDONJSA-N 2 0 274.330 2.965 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414854328 233379838 /nfs/dbraw/zinc/37/98/38/233379838.db2.gz UAUHOSOXVMOKRF-GFCCVEGCSA-N 2 0 284.350 2.767 20 0 CFADRP C[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000414858550 233381017 /nfs/dbraw/zinc/38/10/17/233381017.db2.gz RXVMTVFKJXJUIR-DZGCQCFKSA-N 2 0 284.407 2.554 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000227328757 282687991 /nfs/dbraw/zinc/68/79/91/282687991.db2.gz BJTGOWQJEMVNKF-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CCCc2cccc(F)c2)CC[NH2+]1 ZINC000415084224 233460222 /nfs/dbraw/zinc/46/02/22/233460222.db2.gz GHDUSDNSGPLRLS-UKRRQHHQSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415028427 233440971 /nfs/dbraw/zinc/44/09/71/233440971.db2.gz CUHZOCWLHXDNER-HOTGVXAUSA-N 2 0 298.434 2.706 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000415037835 233443736 /nfs/dbraw/zinc/44/37/36/233443736.db2.gz MQCZUJXSFASRSS-CVEARBPZSA-N 2 0 274.408 2.692 20 0 CFADRP Cn1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(C2CCCCC2)n1 ZINC000415039382 233443773 /nfs/dbraw/zinc/44/37/73/233443773.db2.gz NZYLHIHCBYHAGV-XJKSGUPXSA-N 2 0 290.455 2.685 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]CCc2cc3ccccc3o2)CC[NH2+]1 ZINC000415088481 233463551 /nfs/dbraw/zinc/46/35/51/233463551.db2.gz MBOXXDWRBUKBPX-KGLIPLIRSA-N 2 0 272.392 2.953 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000105454886 282693414 /nfs/dbraw/zinc/69/34/14/282693414.db2.gz ORQYQKBIPPUQPI-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP Cc1ccccc1CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000105812805 186073166 /nfs/dbraw/zinc/07/31/66/186073166.db2.gz GKQPVJQZIURIEQ-UHFFFAOYSA-N 2 0 260.425 3.000 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCC2 ZINC000092383342 180373162 /nfs/dbraw/zinc/37/31/62/180373162.db2.gz IUHJHDSCZJDDJC-MRXNPFEDSA-N 2 0 262.397 2.614 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C)c1O ZINC000106868608 186144978 /nfs/dbraw/zinc/14/49/78/186144978.db2.gz RMDRGWHPZJXAMO-HZPDHXFCSA-N 2 0 274.408 2.725 20 0 CFADRP C[C@H](c1ccccc1Cl)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107573369 186179354 /nfs/dbraw/zinc/17/93/54/186179354.db2.gz SDQMJMPXDALHEY-UTUOFQBUSA-N 2 0 250.773 2.552 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000107956913 186200340 /nfs/dbraw/zinc/20/03/40/186200340.db2.gz UBTAKWCHRYESCU-LLVKDONJSA-N 2 0 252.789 2.899 20 0 CFADRP Cc1cc(NCC2CC[NH+](CCO)CC2)c2ccccc2[nH+]1 ZINC000108947337 186236615 /nfs/dbraw/zinc/23/66/15/186236615.db2.gz OGDHFDMQPKFZOW-UHFFFAOYSA-N 2 0 299.418 2.659 20 0 CFADRP C[N@@H+](Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000110116899 186285333 /nfs/dbraw/zinc/28/53/33/186285333.db2.gz XZBJLCTYNNOYHD-UHFFFAOYSA-N 2 0 250.361 2.599 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000110650453 186310534 /nfs/dbraw/zinc/31/05/34/186310534.db2.gz CWKQEFIXTVRFPS-GFCCVEGCSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000110644507 186309270 /nfs/dbraw/zinc/30/92/70/186309270.db2.gz WCMCJZVYIAMKSU-JTQLQIEISA-N 2 0 254.324 2.524 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000110648937 186309761 /nfs/dbraw/zinc/30/97/61/186309761.db2.gz HFRHAHLJVAOGFA-LBPRGKRZSA-N 2 0 287.382 2.933 20 0 CFADRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCCF)c1ccccc1O2 ZINC000361047909 282725011 /nfs/dbraw/zinc/72/50/11/282725011.db2.gz GPJIDDNFLTWZFM-OAHLLOKOSA-N 2 0 292.398 2.924 20 0 CFADRP CSC1(C[NH2+]CCc2ccc(C)cc2)CC[NH+](C)CC1 ZINC000602668297 350968827 /nfs/dbraw/zinc/96/88/27/350968827.db2.gz USEAWTAIPBRXPA-UHFFFAOYSA-N 2 0 292.492 2.955 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000607957066 351381910 /nfs/dbraw/zinc/38/19/10/351381910.db2.gz ZVQQHJQBWAZRJW-CZUORRHYSA-N 2 0 271.408 2.988 20 0 CFADRP CC[C@H](C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000122642099 187043060 /nfs/dbraw/zinc/04/30/60/187043060.db2.gz CZQLTKQSTRLKAD-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCC(C)(C)O)CC1 ZINC000122662129 187044220 /nfs/dbraw/zinc/04/42/20/187044220.db2.gz DNPFFRZGTBYAMC-UHFFFAOYSA-N 2 0 284.488 2.981 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)[C@H](C)C1 ZINC000122903200 187059033 /nfs/dbraw/zinc/05/90/33/187059033.db2.gz FVLVAUQVLSSEEF-KEYYUXOJSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCOC1 ZINC000123010457 187065547 /nfs/dbraw/zinc/06/55/47/187065547.db2.gz ZLKYKTISWSCBIW-MAUKXSAKSA-N 2 0 288.435 2.797 20 0 CFADRP c1ccc2c(c1)cccc2OCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000615456669 352194292 /nfs/dbraw/zinc/19/42/92/352194292.db2.gz PQLCYUJSMMNLPK-IAGOWNOFSA-N 2 0 296.414 2.760 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2F)[C@H](C)C1 ZINC000271523609 191190908 /nfs/dbraw/zinc/19/09/08/191190908.db2.gz VGVOLBVUNIBGPX-IUODEOHRSA-N 2 0 282.378 2.827 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCc3ccccc3)C2)C1 ZINC000292060672 198149247 /nfs/dbraw/zinc/14/92/47/198149247.db2.gz CMVAWQYLKYIIBM-KRWDZBQOSA-N 2 0 258.409 2.647 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292152135 198183502 /nfs/dbraw/zinc/18/35/02/198183502.db2.gz NQIKLQMVLNICAX-QGZVFWFLSA-N 2 0 258.409 2.831 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000423113211 295852721 /nfs/dbraw/zinc/85/27/21/295852721.db2.gz KNQMUCINYMTNBZ-QJPTWQEYSA-N 2 0 264.360 2.644 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000154311366 188134974 /nfs/dbraw/zinc/13/49/74/188134974.db2.gz MODXPWUCKOFIGS-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000154324401 188135652 /nfs/dbraw/zinc/13/56/52/188135652.db2.gz WQSYMLDEKQDTOI-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000094950411 539979100 /nfs/dbraw/zinc/97/91/00/539979100.db2.gz FDIVRRCBDLGGCT-AWEZNQCLSA-N 2 0 278.415 2.997 20 0 CFADRP C[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359209597 539990733 /nfs/dbraw/zinc/99/07/33/539990733.db2.gz KXDJSEIFWXWDJR-OAHLLOKOSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC000156939197 188288612 /nfs/dbraw/zinc/28/86/12/188288612.db2.gz IUTKZWPBQVXLBV-HLLBOEOZSA-N 2 0 276.424 2.522 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1CC(C)C1 ZINC000621384885 353347797 /nfs/dbraw/zinc/34/77/97/353347797.db2.gz ZPOFXCAHHPUTTN-UHFFFAOYSA-N 2 0 270.380 2.711 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000621775634 353422752 /nfs/dbraw/zinc/42/27/52/353422752.db2.gz VGFUTPBKFLWXJL-DLBZAZTESA-N 2 0 273.424 2.602 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000621779883 353423706 /nfs/dbraw/zinc/42/37/06/353423706.db2.gz KLKKMJGVMHXVGF-UAGQMJEPSA-N 2 0 256.393 2.877 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000292684011 198375785 /nfs/dbraw/zinc/37/57/85/198375785.db2.gz AWHROZUXIMESDN-PBHICJAKSA-N 2 0 276.399 2.957 20 0 CFADRP COc1cccc(C)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000623051756 353582090 /nfs/dbraw/zinc/58/20/90/353582090.db2.gz PIPPVKQCDGZGGF-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)c1cccc(C[NH2+]CCc2cncn2C)c1 ZINC000623085756 353584880 /nfs/dbraw/zinc/58/48/80/353584880.db2.gz CRRLRBNKNUDFJU-UHFFFAOYSA-N 2 0 257.381 2.876 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623347999 353620900 /nfs/dbraw/zinc/62/09/00/353620900.db2.gz ODSOSLJWSNEWGW-QGZVFWFLSA-N 2 0 289.467 2.711 20 0 CFADRP C[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000623357553 353623775 /nfs/dbraw/zinc/62/37/75/353623775.db2.gz VDIDEGWZMZVMCB-OAGGEKHMSA-N 2 0 281.488 2.569 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCN(C)C2)ccc1Cl ZINC000623372530 353628329 /nfs/dbraw/zinc/62/83/29/353628329.db2.gz YOATURXEDSTEQC-GFCCVEGCSA-N 2 0 268.788 2.532 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623375008 353628900 /nfs/dbraw/zinc/62/89/00/353628900.db2.gz YUTKVRPJEFSLHS-BZUAXINKSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)CC1(C)C ZINC000623374699 353629313 /nfs/dbraw/zinc/62/93/13/353629313.db2.gz MBRHQQZEQZKADL-INIZCTEOSA-N 2 0 298.434 2.835 20 0 CFADRP C[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000623383154 353631222 /nfs/dbraw/zinc/63/12/22/353631222.db2.gz GLFXNOUFKRHYLE-JKSUJKDBSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)CC1(C)C ZINC000623428177 353641257 /nfs/dbraw/zinc/64/12/57/353641257.db2.gz AWPMUEAQEMRSKX-DLBZAZTESA-N 2 0 290.451 2.963 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623431863 353643331 /nfs/dbraw/zinc/64/33/31/353643331.db2.gz VILPRQPRNWCXQS-MRXNPFEDSA-N 3 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)CC1(C)C ZINC000623443332 353646372 /nfs/dbraw/zinc/64/63/72/353646372.db2.gz ZSOFUHZUDFCRRV-OAHLLOKOSA-N 2 0 282.472 2.782 20 0 CFADRP CN(CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623338327 353618108 /nfs/dbraw/zinc/61/81/08/353618108.db2.gz VJWABZJGUAZGRE-MRXNPFEDSA-N 2 0 289.467 2.975 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623338659 353618168 /nfs/dbraw/zinc/61/81/68/353618168.db2.gz LPBIATVJPDSRKS-OAHLLOKOSA-N 2 0 269.477 2.568 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccs1 ZINC000623338424 353618326 /nfs/dbraw/zinc/61/83/26/353618326.db2.gz ZUPMLOXRYJDDGD-ZIAGYGMSSA-N 2 0 295.496 2.813 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000623655013 353696061 /nfs/dbraw/zinc/69/60/61/353696061.db2.gz LYPCEYQQPNYRJT-HNNXBMFYSA-N 2 0 298.434 2.898 20 0 CFADRP C[NH+]1CC[C@@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1(C)C ZINC000623510387 353660609 /nfs/dbraw/zinc/66/06/09/353660609.db2.gz VFJMXKMJVPSEJP-CABCVRRESA-N 2 0 281.488 2.569 20 0 CFADRP CC[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623536340 353666691 /nfs/dbraw/zinc/66/66/91/353666691.db2.gz SPPKKLKQJRNCAC-VXGBXAGGSA-N 2 0 296.377 2.806 20 0 CFADRP CC(C)[C@H](CO)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623539569 353667457 /nfs/dbraw/zinc/66/74/57/353667457.db2.gz UPJQOJPUHWPWRP-JYJNAYRXSA-N 2 0 284.488 2.738 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623538861 353667683 /nfs/dbraw/zinc/66/76/83/353667683.db2.gz XWEMHJINGLVKOA-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)CC1(C)C ZINC000623542236 353667976 /nfs/dbraw/zinc/66/79/76/353667976.db2.gz SJUJMROSWUEKNH-CPCZMJQVSA-N 2 0 290.398 2.999 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1(C)C ZINC000623560310 353671639 /nfs/dbraw/zinc/67/16/39/353671639.db2.gz AZUBPQJNBOBJBK-HRCADAONSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2COc3cc(F)ccc3C2)CC1(C)C ZINC000623569972 353674076 /nfs/dbraw/zinc/67/40/76/353674076.db2.gz CIJOWJUTXNUBES-LSDHHAIUSA-N 2 0 292.398 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)CC1(C)C ZINC000623570327 353674169 /nfs/dbraw/zinc/67/41/69/353674169.db2.gz OZCMOEJWBQZBGJ-AAEUAGOBSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1(C)C ZINC000623569434 353674428 /nfs/dbraw/zinc/67/44/28/353674428.db2.gz HGNZSEWHRKJYNI-ZQDZILKHSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)CC1(C)C ZINC000623569970 353674579 /nfs/dbraw/zinc/67/45/79/353674579.db2.gz CIJOWJUTXNUBES-GJZGRUSLSA-N 2 0 292.398 2.592 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)C1 ZINC000452112497 535242846 /nfs/dbraw/zinc/24/28/46/535242846.db2.gz GEOHXARTUDLCLB-SFHVURJKSA-N 2 0 289.467 2.533 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000623648957 353694970 /nfs/dbraw/zinc/69/49/70/353694970.db2.gz FKFGMWWOQUALOE-JKSUJKDBSA-N 2 0 287.451 2.884 20 0 CFADRP COCC[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000623487652 353655224 /nfs/dbraw/zinc/65/52/24/353655224.db2.gz LOUCGWKSUGZGHP-KGLIPLIRSA-N 2 0 280.412 2.820 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000623655014 353695939 /nfs/dbraw/zinc/69/59/39/353695939.db2.gz LYPCEYQQPNYRJT-OAHLLOKOSA-N 2 0 298.434 2.898 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000623657415 353697711 /nfs/dbraw/zinc/69/77/11/353697711.db2.gz QEMGHPQDWANEHZ-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000623657671 353698194 /nfs/dbraw/zinc/69/81/94/353698194.db2.gz WJUWHSPFDHTLQH-OAGGEKHMSA-N 2 0 268.445 2.512 20 0 CFADRP COCC1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623657111 353698310 /nfs/dbraw/zinc/69/83/10/353698310.db2.gz JXQPMSXXQZHUAV-HWOWSKLDSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623657279 353698651 /nfs/dbraw/zinc/69/86/51/353698651.db2.gz MQSAAYQRLJAIIP-VDERGJSUSA-N 2 0 250.430 2.743 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623887898 353749731 /nfs/dbraw/zinc/74/97/31/353749731.db2.gz QNIHOYYSIIRPEL-ZDUSSCGKSA-N 2 0 279.453 2.842 20 0 CFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623897610 353752583 /nfs/dbraw/zinc/75/25/83/353752583.db2.gz PYAKHQRKBXHUSV-KRWDZBQOSA-N 2 0 290.451 2.801 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)[C@H]1CCCCO1 ZINC000624077997 353799824 /nfs/dbraw/zinc/79/98/24/353799824.db2.gz KUMQLZDPZFTTHC-BHYGNILZSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000624100770 353805974 /nfs/dbraw/zinc/80/59/74/353805974.db2.gz DHAXVGJSFWPPAF-JQHSSLGASA-N 2 0 293.499 2.713 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000624112924 353809266 /nfs/dbraw/zinc/80/92/66/353809266.db2.gz PQPAJAZQEMZCHW-GJZGRUSLSA-N 2 0 275.440 2.740 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000624121075 353810847 /nfs/dbraw/zinc/81/08/47/353810847.db2.gz NNAIHXYBXGZPDL-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000624123370 353812660 /nfs/dbraw/zinc/81/26/60/353812660.db2.gz KTOLNNORRZULHU-LSDHHAIUSA-N 2 0 297.446 2.957 20 0 CFADRP CCSc1ccccc1[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228324 353841641 /nfs/dbraw/zinc/84/16/41/353841641.db2.gz OOARDJJOMIQLQH-ZIAGYGMSSA-N 2 0 294.464 2.516 20 0 CFADRP C/C=C/C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000624197193 353831966 /nfs/dbraw/zinc/83/19/66/353831966.db2.gz DIIWMHAIMNSCAA-VBROQKIQSA-N 2 0 262.397 2.854 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000624199076 353832547 /nfs/dbraw/zinc/83/25/47/353832547.db2.gz GMSYDNDOJRBYLX-DMRZNYOFSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn[nH]c2)C1 ZINC000624214093 353836865 /nfs/dbraw/zinc/83/68/65/353836865.db2.gz PUARHYUNXKRAGG-HNNXBMFYSA-N 2 0 298.434 2.931 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368009982 282937840 /nfs/dbraw/zinc/93/78/40/282937840.db2.gz YWCNWXWQIWLMPZ-ULQDDVLXSA-N 2 0 295.515 2.959 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccncc1 ZINC000624271913 353852544 /nfs/dbraw/zinc/85/25/44/353852544.db2.gz MIPPFDXUDVNARN-HOTGVXAUSA-N 2 0 261.413 2.853 20 0 CFADRP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H]1CCCN1C)CC2 ZINC000624271769 353852638 /nfs/dbraw/zinc/85/26/38/353852638.db2.gz DCGIMYKPPFMWJZ-JKSUJKDBSA-N 2 0 258.409 2.975 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000295246740 199422481 /nfs/dbraw/zinc/42/24/81/199422481.db2.gz PUJLJZSIRJWUED-DYVFJYSZSA-N 2 0 297.402 2.681 20 0 CFADRP CCO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000625263842 354008315 /nfs/dbraw/zinc/00/83/15/354008315.db2.gz LVEYJUPHXNLGKQ-CGTJXYLNSA-N 2 0 292.467 2.750 20 0 CFADRP CCO[C@@H](C[NH+]1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000625279337 354011023 /nfs/dbraw/zinc/01/10/23/354011023.db2.gz BTWGSFHEFIKNOE-KRWDZBQOSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)C1(F)F ZINC000625652732 354080738 /nfs/dbraw/zinc/08/07/38/354080738.db2.gz GBZZLFRBEKPJFX-JHJVBQTASA-N 2 0 260.372 2.694 20 0 CFADRP c1nc2c([nH]1)C[N@H+](CC[C@@H]1CCc3ccccc31)CC2 ZINC000625434054 354044614 /nfs/dbraw/zinc/04/46/14/354044614.db2.gz BOVWFKLYUQIWCR-AWEZNQCLSA-N 2 0 267.376 2.888 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cc(C)ccc1C ZINC000626020349 354172225 /nfs/dbraw/zinc/17/22/25/354172225.db2.gz HVRRJODWMUSTAN-DOTOQJQBSA-N 2 0 278.440 2.657 20 0 CFADRP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000420308275 283005042 /nfs/dbraw/zinc/00/50/42/283005042.db2.gz CVLKVYSWOWYPOC-GRDNDAEWSA-N 2 0 274.383 2.744 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423239216 283006003 /nfs/dbraw/zinc/00/60/03/283006003.db2.gz AZMWWFVYKOJPSW-SWLSCSKDSA-N 2 0 278.371 2.629 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536933 283020261 /nfs/dbraw/zinc/02/02/61/283020261.db2.gz IRAYFYYTMZCKEF-MRXNPFEDSA-N 2 0 260.356 2.712 20 0 CFADRP Fc1cccc2c1C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420367423 283021416 /nfs/dbraw/zinc/02/14/16/283021416.db2.gz VWFOMMPJPUCZMM-CYBMUJFWSA-N 2 0 262.372 2.574 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CCCS1 ZINC000628163988 354454571 /nfs/dbraw/zinc/45/45/71/354454571.db2.gz ZYVUBSLSVSBNOS-CQSZACIVSA-N 2 0 256.459 2.546 20 0 CFADRP Cc1ncc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000628184552 354465784 /nfs/dbraw/zinc/46/57/84/354465784.db2.gz PUUPVWLBJRNGNL-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc3ccccc3n2)CC1 ZINC000628243923 354499967 /nfs/dbraw/zinc/49/99/67/354499967.db2.gz MHGXZVQHRCDRMT-UHFFFAOYSA-N 2 0 296.418 2.690 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@]2(C)CCCS2)CC1 ZINC000628252115 354504225 /nfs/dbraw/zinc/50/42/25/354504225.db2.gz IHJLPJPSMVTDIU-ZIAGYGMSSA-N 2 0 256.459 2.688 20 0 CFADRP CC[C@H]1CCCC[C@@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000628261025 354508645 /nfs/dbraw/zinc/50/86/45/354508645.db2.gz FEUIJDHDXCBDAA-DLBZAZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1ccc2cc[nH]c2c1 ZINC000628279398 354516133 /nfs/dbraw/zinc/51/61/33/354516133.db2.gz IRNPXBSIPXVYFS-UHFFFAOYSA-N 2 0 259.397 2.942 20 0 CFADRP c1nc(C2CC2)oc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000628295705 354525986 /nfs/dbraw/zinc/52/59/86/354525986.db2.gz HVNQDYUVKXSESG-UHFFFAOYSA-N 2 0 277.412 2.908 20 0 CFADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000628408835 354580628 /nfs/dbraw/zinc/58/06/28/354580628.db2.gz HVZZOIYRVBGRBT-HDICACEKSA-N 2 0 299.462 2.670 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000629389810 354800141 /nfs/dbraw/zinc/80/01/41/354800141.db2.gz AHZHWQYUGKRXFK-SPUZQDLCSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CC[C@H](C)[NH2+]C3)CC2)C1 ZINC000629395522 354801111 /nfs/dbraw/zinc/80/11/11/354801111.db2.gz DXTGECJBDSNKSG-FZCLSBEQSA-N 2 0 293.499 2.760 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000629400345 354802873 /nfs/dbraw/zinc/80/28/73/354802873.db2.gz UZUVIGWBXPDLSG-HOCLYGCPSA-N 2 0 296.842 2.931 20 0 CFADRP CC(C)(C)c1ccc(C[NH2+]CCOCCC[NH3+])s1 ZINC000629400885 354803053 /nfs/dbraw/zinc/80/30/53/354803053.db2.gz MLWPCIPETMWSRC-UHFFFAOYSA-N 2 0 270.442 2.501 20 0 CFADRP Cc1cncc(C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000629531462 354833567 /nfs/dbraw/zinc/83/35/67/354833567.db2.gz LXPVKOCUVIJLII-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000629532017 354833637 /nfs/dbraw/zinc/83/36/37/354833637.db2.gz IMLCMHURQRCWJO-IXDOHACOSA-N 2 0 280.456 2.513 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000629530796 354834016 /nfs/dbraw/zinc/83/40/16/354834016.db2.gz ROLVRGDDKHLAOY-QGZVFWFLSA-N 2 0 276.424 2.662 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000629515859 354825798 /nfs/dbraw/zinc/82/57/98/354825798.db2.gz XRWXWMXPHFSXJN-BMQFZULRSA-N 2 0 288.435 2.521 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000629516595 354825853 /nfs/dbraw/zinc/82/58/53/354825853.db2.gz LLDLUAIZCHEUDD-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])OCC ZINC000629515936 354825907 /nfs/dbraw/zinc/82/59/07/354825907.db2.gz VZPCLDKYZGYOOT-OIISXLGYSA-N 2 0 278.440 2.740 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629519934 354826860 /nfs/dbraw/zinc/82/68/60/354826860.db2.gz IYLNNOKFSJJECX-HUUCEWRRSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520926 354827758 /nfs/dbraw/zinc/82/77/58/354827758.db2.gz MUQFXUGQAJMWJX-CABCVRRESA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)CC[C@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520927 354827818 /nfs/dbraw/zinc/82/78/18/354827818.db2.gz MUQFXUGQAJMWJX-GJZGRUSLSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCOCC2)C2CCC2)cc1 ZINC000629521810 354827948 /nfs/dbraw/zinc/82/79/48/354827948.db2.gz UVPAMAWXKJGJIQ-QGZVFWFLSA-N 2 0 288.435 2.934 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000629522711 354828472 /nfs/dbraw/zinc/82/84/72/354828472.db2.gz GXXFFSYMQZDELR-OWCLPIDISA-N 2 0 270.461 2.684 20 0 CFADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629522778 354828660 /nfs/dbraw/zinc/82/86/60/354828660.db2.gz BCQPWUBABHQNDN-INIZCTEOSA-N 2 0 288.435 2.778 20 0 CFADRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000629523605 354828671 /nfs/dbraw/zinc/82/86/71/354828671.db2.gz IIMQPGHRRGJWLU-CQSZACIVSA-N 2 0 282.815 2.889 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000629522709 354828809 /nfs/dbraw/zinc/82/88/09/354828809.db2.gz GXXFFSYMQZDELR-BZUAXINKSA-N 2 0 270.461 2.684 20 0 CFADRP CC(C)CC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000629522710 354828898 /nfs/dbraw/zinc/82/88/98/354828898.db2.gz GXXFFSYMQZDELR-HRCADAONSA-N 2 0 270.461 2.684 20 0 CFADRP Cc1cc([C@@H]([NH2+]CC2([NH3+])CCOCC2)C2CC2)ccc1F ZINC000629524820 354829988 /nfs/dbraw/zinc/82/99/88/354829988.db2.gz QEIHTQFJWGTVDI-INIZCTEOSA-N 2 0 292.398 2.683 20 0 CFADRP CC(C)C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccs1 ZINC000629525558 354830010 /nfs/dbraw/zinc/83/00/10/354830010.db2.gz WGRVXRQDKVOTCU-ZDUSSCGKSA-N 2 0 282.453 2.933 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000629528580 354831648 /nfs/dbraw/zinc/83/16/48/354831648.db2.gz CPDAVLQHWSRISE-LJQANCHMSA-N 2 0 298.430 2.796 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000629528843 354832491 /nfs/dbraw/zinc/83/24/91/354832491.db2.gz KVRABYJGVNCHNK-CQSZACIVSA-N 2 0 264.413 2.697 20 0 CFADRP CCC[N@H+](CC1=Cc2ccccc2OC1)C1CC[NH2+]CC1 ZINC000629651172 354877427 /nfs/dbraw/zinc/87/74/27/354877427.db2.gz BMVXTHSFOHFJAB-UHFFFAOYSA-N 2 0 286.419 2.926 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000629651804 354877530 /nfs/dbraw/zinc/87/75/30/354877530.db2.gz KJPOWSLAPFBDKZ-INIZCTEOSA-N 2 0 274.408 2.768 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cc2ccccc2s1 ZINC000629537245 354836724 /nfs/dbraw/zinc/83/67/24/354836724.db2.gz JHTLGOKQKVZURV-LBPRGKRZSA-N 2 0 278.421 2.917 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629540057 354838654 /nfs/dbraw/zinc/83/86/54/354838654.db2.gz SIPSSKRQNBDEJL-GOEBONIOSA-N 2 0 296.842 2.931 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCOCCC[NH3+])C[C@H]1c1ccccc1 ZINC000629540562 354838677 /nfs/dbraw/zinc/83/86/77/354838677.db2.gz VWRPCVOXLMZXGC-HOTGVXAUSA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000629540911 354838829 /nfs/dbraw/zinc/83/88/29/354838829.db2.gz XVFYZGWGJBOVSN-INIZCTEOSA-N 2 0 287.407 2.500 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000629540058 354838852 /nfs/dbraw/zinc/83/88/52/354838852.db2.gz SIPSSKRQNBDEJL-HOCLYGCPSA-N 2 0 296.842 2.931 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629551538 354844866 /nfs/dbraw/zinc/84/48/66/354844866.db2.gz UZUMDJXEOCASLX-QWRGUYRKSA-N 2 0 264.335 2.826 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000629549312 354845012 /nfs/dbraw/zinc/84/50/12/354845012.db2.gz GYMNVHVVBMWDOU-YUMQZZPRSA-N 2 0 266.332 2.982 20 0 CFADRP C[C@H]1C[NH+](CCCC2CC[NH2+]CC2)C[C@H](C)C1(F)F ZINC000629552381 354845726 /nfs/dbraw/zinc/84/57/26/354845726.db2.gz IRICYPOGFUZRSJ-STQMWFEESA-N 2 0 274.399 2.989 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NCc1ccccc1CC(F)(F)F ZINC000629555198 354845917 /nfs/dbraw/zinc/84/59/17/354845917.db2.gz RSDIYMNYGDHCGP-OLZOCXBDSA-N 2 0 272.314 2.761 20 0 CFADRP C[C@@H]1CC(F)(F)CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000629575672 354848650 /nfs/dbraw/zinc/84/86/50/354848650.db2.gz OMNOENLCEJWKED-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CC(C)=CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565158 354848731 /nfs/dbraw/zinc/84/87/31/354848731.db2.gz VPECXWPBSXVRPD-RYUDHWBXSA-N 2 0 264.335 2.802 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)CCc1ccc2ccccc2c1 ZINC000629570285 354848955 /nfs/dbraw/zinc/84/89/55/354848955.db2.gz BOQRSFRRWIZQNE-UHFFFAOYSA-N 2 0 286.419 2.550 20 0 CFADRP Cc1cccc([C@H]([NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C(C)C)c1 ZINC000629574949 354849134 /nfs/dbraw/zinc/84/91/34/354849134.db2.gz GUQMHXFYXXMOOI-DLBZAZTESA-N 2 0 288.435 2.803 20 0 CFADRP C[C@H]([NH3+])CN1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000629582578 354849900 /nfs/dbraw/zinc/84/99/00/354849900.db2.gz VGAKQUZPQFSQIU-DMDPSCGWSA-N 2 0 297.240 2.974 20 0 CFADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCCc3ccccc31)C2 ZINC000629598114 354856924 /nfs/dbraw/zinc/85/69/24/354856924.db2.gz WMCNKASSZCQUHP-KURKYZTESA-N 2 0 270.420 2.995 20 0 CFADRP C[C@H](CC1CCCCC1)C[N@H+](C)CCOCC[NH3+] ZINC000629667974 354884297 /nfs/dbraw/zinc/88/42/97/354884297.db2.gz YTIXTRYIXXAKKX-CQSZACIVSA-N 2 0 256.434 2.500 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC000629699870 354899284 /nfs/dbraw/zinc/89/92/84/354899284.db2.gz CGLUAQHEMIEDMJ-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc([C@H]([NH3+])CO)cc2)cc1F ZINC000629737656 354916528 /nfs/dbraw/zinc/91/65/28/354916528.db2.gz KXXQQOLQDHFSTD-MGPLVRAMSA-N 2 0 274.339 2.505 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000340285801 283062747 /nfs/dbraw/zinc/06/27/47/283062747.db2.gz CBRUQUUGTBFLCQ-ZWKOTPCHSA-N 2 0 295.515 2.913 20 0 CFADRP CO[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000003635138 540045207 /nfs/dbraw/zinc/04/52/07/540045207.db2.gz FQLDDSDWVYEZHL-GOSISDBHSA-N 2 0 297.402 2.591 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000178261126 540088561 /nfs/dbraw/zinc/08/85/61/540088561.db2.gz YJVOFKHQAUTEJQ-SJCJKPOMSA-N 2 0 295.386 2.532 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000666227806 540101570 /nfs/dbraw/zinc/10/15/70/540101570.db2.gz JDSUVEWFWPRNLY-WCQYABFASA-N 2 0 260.372 2.740 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667788329 540119479 /nfs/dbraw/zinc/11/94/79/540119479.db2.gz NUNZKFANTSVJNC-WTTBNOFXSA-N 2 0 280.456 2.512 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000287671250 540120801 /nfs/dbraw/zinc/12/08/01/540120801.db2.gz VUNYJBOKHOYPRO-ZTFGCOKTSA-N 2 0 290.451 2.602 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000631055770 355268389 /nfs/dbraw/zinc/26/83/89/355268389.db2.gz GAMDTTASJNPSCN-WBVHZDCISA-N 2 0 287.451 2.649 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)ccc1F ZINC000271865926 191377332 /nfs/dbraw/zinc/37/73/32/191377332.db2.gz LKRQVLNTOBNKIK-NSHDSACASA-N 2 0 266.335 2.877 20 0 CFADRP Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000053036206 540134161 /nfs/dbraw/zinc/13/41/61/540134161.db2.gz BKULMCJZFCSUAJ-UHFFFAOYSA-N 2 0 271.364 2.742 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)CC1(C)C ZINC000631243886 355370732 /nfs/dbraw/zinc/37/07/32/355370732.db2.gz SWGNCJHZIQXZGZ-INIZCTEOSA-N 2 0 288.435 2.722 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1(C)C ZINC000631253183 355376337 /nfs/dbraw/zinc/37/63/37/355376337.db2.gz FBPUBBXBJLBUJR-HRCADAONSA-N 2 0 280.456 2.797 20 0 CFADRP c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000631185602 355338025 /nfs/dbraw/zinc/33/80/25/355338025.db2.gz PJFFGSTVDQXMGS-FJIDUMEYSA-N 2 0 286.419 2.733 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000631196397 355344539 /nfs/dbraw/zinc/34/45/39/355344539.db2.gz RCOYGFZXVDXBQX-MAUKXSAKSA-N 2 0 283.419 2.872 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631578187 355497579 /nfs/dbraw/zinc/49/75/79/355497579.db2.gz PXVXOFQKRSVAFP-ULQDDVLXSA-N 2 0 292.467 2.656 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631578506 355497637 /nfs/dbraw/zinc/49/76/37/355497637.db2.gz UXULNLLRSLOKOF-QGZVFWFLSA-N 2 0 273.424 2.781 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631586606 355503488 /nfs/dbraw/zinc/50/34/88/355503488.db2.gz PYLAKOOUPREYBA-QAETUUGQSA-N 2 0 292.467 2.798 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC000631564583 355489460 /nfs/dbraw/zinc/48/94/60/355489460.db2.gz UOUXDGPFABHZPN-MRXNPFEDSA-N 2 0 259.397 2.535 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661582 355537089 /nfs/dbraw/zinc/53/70/89/355537089.db2.gz ACYBGDYJVSUYOY-CUSZFKRNSA-N 2 0 290.451 2.768 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631666275 355538028 /nfs/dbraw/zinc/53/80/28/355538028.db2.gz DPKNZKLHYWODCN-SOLBZPMBSA-N 2 0 290.451 2.769 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCCC(C)(C)CC2)CC1 ZINC000631678577 355544310 /nfs/dbraw/zinc/54/43/10/355544310.db2.gz GCOCRVJROGPHTM-QGZVFWFLSA-N 2 0 282.472 2.782 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000631707701 355558251 /nfs/dbraw/zinc/55/82/51/355558251.db2.gz XQPFGLUVNOGCSO-GHMZBOCLSA-N 2 0 267.442 2.832 20 0 CFADRP C[C@H](CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[NH+]1CCCCC1 ZINC000631617210 355515747 /nfs/dbraw/zinc/51/57/47/355515747.db2.gz MURLPWBLHMVKMI-QZWWFDLISA-N 2 0 292.467 2.798 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631616105 355515758 /nfs/dbraw/zinc/51/57/58/355515758.db2.gz LFKFFLZKMVJRJY-INIZCTEOSA-N 2 0 273.424 2.781 20 0 CFADRP C1CC2(C1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631624893 355519874 /nfs/dbraw/zinc/51/98/74/355519874.db2.gz SIHLNEVUOVNAFA-YOTSKQKMSA-N 2 0 290.451 2.551 20 0 CFADRP CCC[N@H+](Cc1cccc2c1CCOC2)C1CC[NH2+]CC1 ZINC000631823258 355595419 /nfs/dbraw/zinc/59/54/19/355595419.db2.gz ZWMDWTXKDDMHDX-UHFFFAOYSA-N 2 0 288.435 2.723 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000631821707 355595515 /nfs/dbraw/zinc/59/55/15/355595515.db2.gz GQPOZDFBGJTXDI-HIFRSBDPSA-N 2 0 261.413 2.566 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000229191500 540174073 /nfs/dbraw/zinc/17/40/73/540174073.db2.gz SROOTLUVLGPXLT-GJZGRUSLSA-N 2 0 274.408 2.756 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837605 355601945 /nfs/dbraw/zinc/60/19/45/355601945.db2.gz VFLSZOJNONAIHU-CZUORRHYSA-N 2 0 276.424 2.845 20 0 CFADRP CC[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840170 355603094 /nfs/dbraw/zinc/60/30/94/355603094.db2.gz QHRMPURCHQCLHB-UEKVPHQBSA-N 2 0 268.351 2.943 20 0 CFADRP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631842268 355603781 /nfs/dbraw/zinc/60/37/81/355603781.db2.gz XWNNZTTVLCJZFI-UKRRQHHQSA-N 2 0 262.397 2.500 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000631843699 355604005 /nfs/dbraw/zinc/60/40/05/355604005.db2.gz RPXYTHCIWQEEKV-CZUORRHYSA-N 2 0 288.435 2.841 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887078 355614613 /nfs/dbraw/zinc/61/46/13/355614613.db2.gz LZZGAWRBZBJBQK-DOTOQJQBSA-N 2 0 258.409 2.877 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887968 355614643 /nfs/dbraw/zinc/61/46/43/355614643.db2.gz VRDOELSEANMOAU-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888696 355614775 /nfs/dbraw/zinc/61/47/75/355614775.db2.gz YZSXNEZABTYXKK-WMZOPIPTSA-N 2 0 288.435 2.702 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000229641508 540183844 /nfs/dbraw/zinc/18/38/44/540183844.db2.gz ALPZMTAVLOKVCG-HNNXBMFYSA-N 2 0 271.408 2.988 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000583515679 540214691 /nfs/dbraw/zinc/21/46/91/540214691.db2.gz NTAYLYZJSUGKRO-RCCFBDPRSA-N 2 0 288.435 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)[C@H]2CCC[C@H]21 ZINC000414264380 283134330 /nfs/dbraw/zinc/13/43/30/283134330.db2.gz KVZNGDANHSAJEP-OWCLPIDISA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C12CCC2 ZINC000453069487 540225034 /nfs/dbraw/zinc/22/50/34/540225034.db2.gz BTVSOWAVWPKRIZ-HZPDHXFCSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](CC(C)(C)O)[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000453313542 540227474 /nfs/dbraw/zinc/22/74/74/540227474.db2.gz HXXGGRNYCXQBHI-HYVNUMGLSA-N 2 0 290.451 2.961 20 0 CFADRP CCSCC[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000273812953 192318863 /nfs/dbraw/zinc/31/88/63/192318863.db2.gz WVZCQEBSWMLNQJ-UHFFFAOYSA-N 2 0 252.427 2.591 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000567871058 290501446 /nfs/dbraw/zinc/50/14/46/290501446.db2.gz MBLXDKQVTFGJRE-KGLIPLIRSA-N 2 0 269.392 2.964 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000568075241 290522103 /nfs/dbraw/zinc/52/21/03/290522103.db2.gz GWCUYLQENSHIEW-RBGFHDKUSA-N 2 0 268.445 2.843 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000339067161 540282855 /nfs/dbraw/zinc/28/28/55/540282855.db2.gz GWQOFCLVUGXDDE-ZIFCJYIRSA-N 2 0 299.462 2.729 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070117 540283951 /nfs/dbraw/zinc/28/39/51/540283951.db2.gz WRRWOMURTXFWPI-KURKYZTESA-N 3 0 293.499 2.857 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000336625511 540291005 /nfs/dbraw/zinc/29/10/05/540291005.db2.gz BGQOTDCYUBJTNF-WMLDXEAASA-N 2 0 274.408 2.832 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000294461080 199048590 /nfs/dbraw/zinc/04/85/90/199048590.db2.gz WGDOOCLSHGUQMR-CZUORRHYSA-N 2 0 292.423 2.712 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1N(C)C ZINC000423221855 299270590 /nfs/dbraw/zinc/27/05/90/299270590.db2.gz YLPHOSIEKOJEIP-HSBZDZAISA-N 2 0 261.413 2.673 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1OCCc2sccc21 ZINC000423132492 299269971 /nfs/dbraw/zinc/26/99/71/299269971.db2.gz PHNOMWDJSMNACM-PIISCBOPSA-N 2 0 294.464 2.858 20 0 CFADRP C[C@H]([NH2+]C1CCC(O)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353673698 299270501 /nfs/dbraw/zinc/27/05/01/299270501.db2.gz RXDSGRDKNILMLF-JPQBHMHHSA-N 2 0 280.456 2.533 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ncccc2C)[C@H](C)C1 ZINC000294683518 199133257 /nfs/dbraw/zinc/13/32/57/199133257.db2.gz ADJPZZNYBZVYMT-NVXWUHKLSA-N 2 0 275.440 2.643 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000294697118 199138588 /nfs/dbraw/zinc/13/85/88/199138588.db2.gz CSWZPLZYVCDKFH-LSDHHAIUSA-N 2 0 273.424 2.576 20 0 CFADRP C[C@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422753188 299277225 /nfs/dbraw/zinc/27/72/25/299277225.db2.gz FTKRBZNXMIWUOA-OWCLPIDISA-N 2 0 281.488 2.617 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H](C)C1 ZINC000294831326 199202919 /nfs/dbraw/zinc/20/29/19/199202919.db2.gz QANRFNBXVHQXMQ-LSDHHAIUSA-N 2 0 275.440 2.679 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)[C@@H](C)C1 ZINC000294831320 199203168 /nfs/dbraw/zinc/20/31/68/199203168.db2.gz QANRFNBXVHQXMQ-GJZGRUSLSA-N 2 0 275.440 2.679 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000294924407 199251708 /nfs/dbraw/zinc/25/17/08/199251708.db2.gz CUVYARONYGYWOC-CZUORRHYSA-N 2 0 278.465 2.979 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(C)nc2C)C1 ZINC000678413415 540428784 /nfs/dbraw/zinc/42/87/84/540428784.db2.gz JCEDLIGMSQSDPO-UKRRQHHQSA-N 2 0 261.413 2.691 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000152052216 540431287 /nfs/dbraw/zinc/43/12/87/540431287.db2.gz GQORXZLPMODSPV-AWEZNQCLSA-N 2 0 270.461 2.638 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000334865408 283426938 /nfs/dbraw/zinc/42/69/38/283426938.db2.gz SCJHCPFAWNEGTB-MWHAMWOXSA-N 2 0 273.424 2.753 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)c1 ZINC000158578743 299290148 /nfs/dbraw/zinc/29/01/48/299290148.db2.gz VPMBEENAXNMOQZ-OAGGEKHMSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncn1 ZINC000453060820 299289843 /nfs/dbraw/zinc/28/98/43/299289843.db2.gz ONEBBAXDKJHKFF-OAGGEKHMSA-N 2 0 290.455 2.885 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccncc1 ZINC000179386141 299290363 /nfs/dbraw/zinc/29/03/63/299290363.db2.gz OWDKBCVOYZXDFY-OAGGEKHMSA-N 2 0 291.439 2.622 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000678586775 540460640 /nfs/dbraw/zinc/46/06/40/540460640.db2.gz DOFYIFGZIFRZND-RKVPGOIHSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)C1CC[NH+](C)CC1 ZINC000152269189 540454740 /nfs/dbraw/zinc/45/47/40/540454740.db2.gz IYTLLWUMQBXYIJ-OAHLLOKOSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000062014494 540479188 /nfs/dbraw/zinc/47/91/88/540479188.db2.gz JIYLDCGDBUTHIG-VXGBXAGGSA-N 2 0 252.789 2.942 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000422694130 237118537 /nfs/dbraw/zinc/11/85/37/237118537.db2.gz NPZKVMZBYYZLJT-CABCVRRESA-N 2 0 268.351 2.757 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000422735065 237149431 /nfs/dbraw/zinc/14/94/31/237149431.db2.gz UKRVQHYVTSZHHG-SGMGOOAPSA-N 2 0 250.361 2.864 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739841 237157240 /nfs/dbraw/zinc/15/72/40/237157240.db2.gz MIZDOGQNWUBIQG-BSDSXHPESA-N 2 0 288.435 2.884 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCCOC1CCCCC1 ZINC000422700598 237122175 /nfs/dbraw/zinc/12/21/75/237122175.db2.gz AIJXQXYRJAAZFM-JKSUJKDBSA-N 2 0 268.445 2.975 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000422702984 237123027 /nfs/dbraw/zinc/12/30/27/237123027.db2.gz LZULJGOELMICFB-UHFFFAOYSA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704420 237125192 /nfs/dbraw/zinc/12/51/92/237125192.db2.gz PPZXZUYCYRYVBG-GJZGRUSLSA-N 2 0 276.428 2.523 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422709612 237128184 /nfs/dbraw/zinc/12/81/84/237128184.db2.gz KUHVVEAFBJDSSM-ROUUACIJSA-N 2 0 290.451 2.743 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422718391 237133819 /nfs/dbraw/zinc/13/38/19/237133819.db2.gz XCVOPVJBJLMHON-FPCVCCKLSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000422772908 237189087 /nfs/dbraw/zinc/18/90/87/237189087.db2.gz ZGOBFTHQZDZLTD-NILFDRSVSA-N 2 0 290.432 2.743 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422770793 237189403 /nfs/dbraw/zinc/18/94/03/237189403.db2.gz XGWFLSZAKRDJNS-GBJTYRQASA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422744756 237158105 /nfs/dbraw/zinc/15/81/05/237158105.db2.gz UDKGTLXJTJXELW-HOCLYGCPSA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000422746739 237163753 /nfs/dbraw/zinc/16/37/53/237163753.db2.gz XCWKUBAZLYUNAE-QWRGUYRKSA-N 2 0 269.458 2.699 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000422775868 237191470 /nfs/dbraw/zinc/19/14/70/237191470.db2.gz BPBLSICIGVQHAL-DZGCQCFKSA-N 2 0 266.816 2.990 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422754336 237167887 /nfs/dbraw/zinc/16/78/87/237167887.db2.gz JMMMNKAQYMNCRL-AWEZNQCLSA-N 2 0 299.418 2.887 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422754462 237169021 /nfs/dbraw/zinc/16/90/21/237169021.db2.gz FXHJHPSYHUCYNP-MLGOLLRUSA-N 2 0 289.398 2.957 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422753434 237170001 /nfs/dbraw/zinc/17/00/01/237170001.db2.gz IHBFNMZRTDGTLY-HOTGVXAUSA-N 2 0 262.397 2.623 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250185728 540529051 /nfs/dbraw/zinc/52/90/51/540529051.db2.gz ZCCYWFUMSHVLQE-ZWKOTPCHSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422758748 237172159 /nfs/dbraw/zinc/17/21/59/237172159.db2.gz JWQDUXYRUHFNLI-DZGCQCFKSA-N 2 0 279.403 2.512 20 0 CFADRP c1ccc2c(c1)C[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250837296 540531903 /nfs/dbraw/zinc/53/19/03/540531903.db2.gz BXYPMDPSDUSWOT-LAVFITLUSA-N 2 0 270.420 2.837 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422763145 237178086 /nfs/dbraw/zinc/17/80/86/237178086.db2.gz SZAHDPWXLBZJJN-HOCLYGCPSA-N 2 0 261.413 2.609 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCC(C)CC1 ZINC000422794112 237218279 /nfs/dbraw/zinc/21/82/79/237218279.db2.gz YPQAXTAAEZZNRQ-ZTFGCOKTSA-N 2 0 287.451 2.841 20 0 CFADRP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422795530 237218313 /nfs/dbraw/zinc/21/83/13/237218313.db2.gz VWPHLWCDRSEOLW-RBSFLKMASA-N 2 0 292.423 2.570 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000422803117 237228303 /nfs/dbraw/zinc/22/83/03/237228303.db2.gz FMGPCJDNBOEYNS-ZIAGYGMSSA-N 2 0 269.392 2.964 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000422794863 237219118 /nfs/dbraw/zinc/21/91/18/237219118.db2.gz HBFZGTORVYRYKA-TUAOUCFPSA-N 2 0 270.804 2.823 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435788725 240352419 /nfs/dbraw/zinc/35/24/19/240352419.db2.gz FRXMUHRJJHOBBF-WFGGJUAMSA-N 2 0 262.372 2.611 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000422798316 237222047 /nfs/dbraw/zinc/22/20/47/237222047.db2.gz QPCMJQLABNCJPL-UEKVPHQBSA-N 2 0 268.351 2.785 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422804294 237227373 /nfs/dbraw/zinc/22/73/73/237227373.db2.gz HFZCRXNTHZLVLK-RTBURBONSA-N 2 0 295.430 2.983 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422777135 237194499 /nfs/dbraw/zinc/19/44/99/237194499.db2.gz FKEBXTYLQDCQGQ-WBVHZDCISA-N 2 0 260.425 2.824 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422776059 237194719 /nfs/dbraw/zinc/19/47/19/237194719.db2.gz CBBAKRCCSHPZNS-HZSPNIEDSA-N 2 0 264.413 2.904 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])Oc1ccc(F)cc1 ZINC000422778186 237195517 /nfs/dbraw/zinc/19/55/17/237195517.db2.gz AJHFKHUDHDDBMN-QWHCGFSZSA-N 2 0 268.376 2.700 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCOC1CCCCC1 ZINC000422777000 237195636 /nfs/dbraw/zinc/19/56/36/237195636.db2.gz BNYOVCVJQTXMGK-HOTGVXAUSA-N 2 0 268.445 2.975 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(C)ccc2OC)CC[C@H]1[NH3+] ZINC000251891362 540554442 /nfs/dbraw/zinc/55/44/42/540554442.db2.gz WAZTUVAYPOMDLP-UKRRQHHQSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])Oc1ccc(F)cc1 ZINC000422780724 237198083 /nfs/dbraw/zinc/19/80/83/237198083.db2.gz DFZZZUPPWVLOTC-XJKCOSOUSA-N 2 0 280.387 2.700 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000422781154 237198385 /nfs/dbraw/zinc/19/83/85/237198385.db2.gz DTZWCJYGVATGCC-HOTGVXAUSA-N 3 0 289.467 2.888 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Sc1ccccc1 ZINC000422781098 237200102 /nfs/dbraw/zinc/20/01/02/237200102.db2.gz DQNAUUMXUMNPCF-AVGNSLFASA-N 2 0 252.427 2.883 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000422782554 237202794 /nfs/dbraw/zinc/20/27/94/237202794.db2.gz GOZVSMPNKRUMNC-KGLIPLIRSA-N 2 0 282.453 2.511 20 0 CFADRP C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422782597 237203427 /nfs/dbraw/zinc/20/34/27/237203427.db2.gz JUFLESJCDXOANG-ZOBUZTSGSA-N 2 0 276.424 2.884 20 0 CFADRP CC1(C)CCC(O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000156118299 540559059 /nfs/dbraw/zinc/55/90/59/540559059.db2.gz GVTPUDBIISTUCT-HUUCEWRRSA-N 2 0 280.456 2.534 20 0 CFADRP COc1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422784702 237206699 /nfs/dbraw/zinc/20/66/99/237206699.db2.gz JACTVTIQDZRLPU-MSOLQXFVSA-N 2 0 298.386 2.808 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)Oc1ccccc1F ZINC000422788349 237210017 /nfs/dbraw/zinc/21/00/17/237210017.db2.gz NBLMRYZTVRBXOJ-UMVBOHGHSA-N 2 0 280.387 2.571 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422788887 237210124 /nfs/dbraw/zinc/21/01/24/237210124.db2.gz NVQVMHBXPLBDLY-JKIFEVAISA-N 2 0 292.423 2.570 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1ccccc1F ZINC000422787012 237210240 /nfs/dbraw/zinc/21/02/40/237210240.db2.gz LMDBRURXACDCOB-IYXRBSQSSA-N 2 0 280.387 2.700 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H](C)CCC[NH3+])c[nH]c21 ZINC000422790511 237212840 /nfs/dbraw/zinc/21/28/40/237212840.db2.gz UUGYUZHPKLADOC-CYBMUJFWSA-N 2 0 259.397 2.736 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000422791125 237213104 /nfs/dbraw/zinc/21/31/04/237213104.db2.gz PXQYKHZFHWKHEN-CVEARBPZSA-N 2 0 262.397 2.705 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(C)sc2C)CC[C@H]1[NH3+] ZINC000251664258 540546490 /nfs/dbraw/zinc/54/64/90/540546490.db2.gz HFEOSRUFZKHYMI-TZMCWYRMSA-N 2 0 252.427 2.924 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422793154 237215905 /nfs/dbraw/zinc/21/59/05/237215905.db2.gz RUBAPWHUNIVIJP-FVQBIDKESA-N 2 0 276.424 2.740 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422793737 237216588 /nfs/dbraw/zinc/21/65/88/237216588.db2.gz SRGYZJRYULMZOU-UXLLHSPISA-N 2 0 276.424 2.740 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000422816171 237244583 /nfs/dbraw/zinc/24/45/83/237244583.db2.gz ZHIDZUHORLITLY-QLFBSQMISA-N 2 0 270.461 2.948 20 0 CFADRP CO[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)(C)C ZINC000422815513 237244609 /nfs/dbraw/zinc/24/46/09/237244609.db2.gz XSFCQAQSHHMGEP-NUEKZKHPSA-N 2 0 278.440 2.596 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422818936 237245064 /nfs/dbraw/zinc/24/50/64/237245064.db2.gz LRAJKQZPHKKPST-SJLPKXTDSA-N 2 0 298.434 2.522 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000422818935 237247556 /nfs/dbraw/zinc/24/75/56/237247556.db2.gz LRAJKQZPHKKPST-FUHWJXTLSA-N 2 0 298.434 2.522 20 0 CFADRP C[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253183527 540578552 /nfs/dbraw/zinc/57/85/52/540578552.db2.gz GQUOAKWWBWJOJH-QWHCGFSZSA-N 2 0 282.428 2.835 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000422824182 237252230 /nfs/dbraw/zinc/25/22/30/237252230.db2.gz GIXYZQDOJIKNPF-JSGCOSHPSA-N 2 0 275.421 2.950 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1Br ZINC000422826710 237255525 /nfs/dbraw/zinc/25/55/25/237255525.db2.gz LWCGLGUIXANDTD-QWRGUYRKSA-N 2 0 285.229 2.707 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422836156 237261609 /nfs/dbraw/zinc/26/16/09/237261609.db2.gz JJJXMXGCVJDJKP-WBMJQRKESA-N 2 0 289.398 2.957 20 0 CFADRP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(C[NH+]2CCCC2)c1 ZINC000422806155 237230092 /nfs/dbraw/zinc/23/00/92/237230092.db2.gz KIRYNLNGODMIGW-DFNIBXOVSA-N 3 0 299.462 2.655 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000422805951 237231107 /nfs/dbraw/zinc/23/11/07/237231107.db2.gz MULFSVLJSYVHPN-DOTOQJQBSA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)C1C[NH2+]C1 ZINC000422807915 237233469 /nfs/dbraw/zinc/23/34/69/237233469.db2.gz KJYAWFRLWJXZRM-AWEZNQCLSA-N 2 0 258.409 2.696 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422810730 237235573 /nfs/dbraw/zinc/23/55/73/237235573.db2.gz UTFPXNXRLDPUCF-CHWSQXEVSA-N 2 0 289.423 2.641 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc(F)ccc2C)CC[C@H]1[NH3+] ZINC000252979491 540572275 /nfs/dbraw/zinc/57/22/75/540572275.db2.gz ICGCPPSFABEFJX-IUODEOHRSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422814632 237239419 /nfs/dbraw/zinc/23/94/19/237239419.db2.gz VRINKYKMPUOLNK-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000422814548 237239598 /nfs/dbraw/zinc/23/95/98/237239598.db2.gz VJDVQBVKOXSEGH-IAGOWNOFSA-N 2 0 276.424 2.790 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422854673 237277833 /nfs/dbraw/zinc/27/78/33/237277833.db2.gz BDXNOVNVQOYHPZ-ZMSDIMECSA-N 2 0 290.451 2.615 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000422871040 237291580 /nfs/dbraw/zinc/29/15/80/237291580.db2.gz ZPHIPVAFQWZGMO-JTQLQIEISA-N 2 0 261.394 2.761 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C)cc1OC(C)C ZINC000422872775 237292350 /nfs/dbraw/zinc/29/23/50/237292350.db2.gz IPIFBKSLWPURDU-MRXNPFEDSA-N 2 0 294.439 2.626 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000422875040 237296828 /nfs/dbraw/zinc/29/68/28/237296828.db2.gz BKFNEYWDGCETKK-HNNXBMFYSA-N 2 0 290.455 2.679 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000422838533 237264199 /nfs/dbraw/zinc/26/41/99/237264199.db2.gz OSAQZGOURXRMNO-XHDPSFHLSA-N 2 0 275.371 2.567 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422839319 237265524 /nfs/dbraw/zinc/26/55/24/237265524.db2.gz ZVXQOYDWPMLBDV-JFIYKMOQSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000422842083 237269115 /nfs/dbraw/zinc/26/91/15/237269115.db2.gz XNOPITOLLBIIAU-OUCADQQQSA-N 2 0 281.831 2.634 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422850864 237272653 /nfs/dbraw/zinc/27/26/53/237272653.db2.gz OHXHDRHBGSUTRD-NHCYSSNCSA-N 2 0 264.335 2.553 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422851458 237273952 /nfs/dbraw/zinc/27/39/52/237273952.db2.gz OXTBOIXUQLAQLG-AGIUHOORSA-N 2 0 296.377 2.699 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000422883781 237306554 /nfs/dbraw/zinc/30/65/54/237306554.db2.gz RBQKBFNVFJWQTN-ZACQAIPSSA-N 3 0 281.488 2.606 20 0 CFADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000422888503 237308667 /nfs/dbraw/zinc/30/86/67/237308667.db2.gz NBKQYXUUSBGDGC-CHWSQXEVSA-N 2 0 297.402 2.656 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422890095 237312225 /nfs/dbraw/zinc/31/22/25/237312225.db2.gz RDVGPEQNTBLPJB-BXUZGUMPSA-N 2 0 282.815 2.956 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422903073 237324780 /nfs/dbraw/zinc/32/47/80/237324780.db2.gz NZALGYODMTWPJX-JSRQGNBESA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422903074 237325237 /nfs/dbraw/zinc/32/52/37/237325237.db2.gz NZALGYODMTWPJX-ZHCJQAHYSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)Cc1ccccc1 ZINC000422913812 237338061 /nfs/dbraw/zinc/33/80/61/237338061.db2.gz QULPDBBRCTUADY-BHYGNILZSA-N 2 0 290.451 2.597 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422904291 237329487 /nfs/dbraw/zinc/32/94/87/237329487.db2.gz GRZRQZXWRTZQQS-RYUDHWBXSA-N 2 0 281.469 2.670 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422909910 237333226 /nfs/dbraw/zinc/33/32/26/237333226.db2.gz PKMNIWXOKNNMPK-JLJPHGGASA-N 2 0 258.409 2.837 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422911579 237337046 /nfs/dbraw/zinc/33/70/46/237337046.db2.gz LBWFZZFDHVDZQV-GOEBONIOSA-N 2 0 260.425 2.985 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000422882082 237302521 /nfs/dbraw/zinc/30/25/21/237302521.db2.gz ACWYAJMWGFDVPJ-BBRMVZONSA-N 2 0 271.408 2.818 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])Oc1ccccc1Cl ZINC000422921129 237351754 /nfs/dbraw/zinc/35/17/54/237351754.db2.gz NJFMVTGLIYEJSL-RTXFEEFZSA-N 2 0 268.788 2.577 20 0 CFADRP Cc1ncc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000400067850 540629696 /nfs/dbraw/zinc/62/96/96/540629696.db2.gz FDIWGDFBXZXZTL-UHFFFAOYSA-N 2 0 287.432 2.729 20 0 CFADRP Cc1cccc(NCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000422923733 237357147 /nfs/dbraw/zinc/35/71/47/237357147.db2.gz WVSOQJBQYXNNMJ-HZPDHXFCSA-N 2 0 282.391 2.536 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422901809 283468349 /nfs/dbraw/zinc/46/83/49/283468349.db2.gz CKNDQLLSYBMIRO-ZMSDIMECSA-N 2 0 258.409 2.824 20 0 CFADRP Cc1nc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])o2)cs1 ZINC000422933559 237361657 /nfs/dbraw/zinc/36/16/57/237361657.db2.gz BGTFHPSEEWUXPY-DGCLKSJQSA-N 2 0 291.420 2.929 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422932649 237363232 /nfs/dbraw/zinc/36/32/32/237363232.db2.gz GGGAYMCAUDPJAE-JVPBZIDWSA-N 2 0 298.430 2.724 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000422932651 237363539 /nfs/dbraw/zinc/36/35/39/237363539.db2.gz GGGAYMCAUDPJAE-ZOCIIQOWSA-N 2 0 298.430 2.724 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422936268 237364528 /nfs/dbraw/zinc/36/45/28/237364528.db2.gz FIGVABBQULOSDJ-XYPWUTKMSA-N 2 0 274.408 2.555 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422939534 237366950 /nfs/dbraw/zinc/36/69/50/237366950.db2.gz GBUOWQRHTASLDZ-DZGCQCFKSA-N 2 0 298.377 2.938 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2ccccc2F)CC1 ZINC000422939891 237369397 /nfs/dbraw/zinc/36/93/97/237369397.db2.gz GGIBEFOGHZGCIJ-LBPRGKRZSA-N 2 0 250.361 2.922 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422942917 237371829 /nfs/dbraw/zinc/37/18/29/237371829.db2.gz KYLZBBYUHUCRAH-QWRGUYRKSA-N 2 0 290.329 2.800 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OC1CCC1 ZINC000422914375 237340235 /nfs/dbraw/zinc/34/02/35/237340235.db2.gz TXAAVLXUKZJIER-QWHCGFSZSA-N 2 0 262.397 2.833 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422946008 237373768 /nfs/dbraw/zinc/37/37/68/237373768.db2.gz OFZVHDRMZFBDQI-KBPBESRZSA-N 2 0 252.789 2.742 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422914037 237340492 /nfs/dbraw/zinc/34/04/92/237340492.db2.gz ZXIJQPIGFHOCNS-OLZOCXBDSA-N 2 0 293.480 2.672 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)c1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000422916705 237343945 /nfs/dbraw/zinc/34/39/45/237343945.db2.gz BLWMFQGOYAYVAC-JTQLQIEISA-N 2 0 284.806 2.954 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422943393 237375483 /nfs/dbraw/zinc/37/54/83/237375483.db2.gz KFUROFSOGSSNSU-SMDDNHRTSA-N 2 0 284.350 2.766 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422944930 237375496 /nfs/dbraw/zinc/37/54/96/237375496.db2.gz MTVCKODRMRNMPW-XJKSGUPXSA-N 2 0 276.424 2.660 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000422952110 237381418 /nfs/dbraw/zinc/38/14/18/237381418.db2.gz BSOBZGQGQKDLKZ-KGLIPLIRSA-N 2 0 268.351 2.757 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000422951086 237382091 /nfs/dbraw/zinc/38/20/91/237382091.db2.gz XKWGIQSCBJGYSR-YVEFUNNKSA-N 2 0 290.407 2.626 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422956607 237385961 /nfs/dbraw/zinc/38/59/61/237385961.db2.gz LPLUPDQWWFRFFE-QWRGUYRKSA-N 2 0 285.229 2.973 20 0 CFADRP COc1cccc(C2([NH2+][C@H](C)CCCC[NH3+])CC2)c1 ZINC000422960388 237390301 /nfs/dbraw/zinc/39/03/01/237390301.db2.gz WDLOVABIELJPOC-CYBMUJFWSA-N 2 0 262.397 2.791 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000422960560 237391656 /nfs/dbraw/zinc/39/16/56/237391656.db2.gz WWIJBMDZJFHMCW-JSGCOSHPSA-N 2 0 268.351 2.614 20 0 CFADRP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422968659 237396949 /nfs/dbraw/zinc/39/69/49/237396949.db2.gz RSQPRXFZYGIVHK-QWRGUYRKSA-N 2 0 253.390 2.502 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449224463 299297192 /nfs/dbraw/zinc/29/71/92/299297192.db2.gz LOSQIZZKGMQIJU-RYRKJORJSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000423050530 237485098 /nfs/dbraw/zinc/48/50/98/237485098.db2.gz MAJYITHWTZADHN-RYUDHWBXSA-N 2 0 266.433 2.725 20 0 CFADRP C[C@@H](O)[C@@](C)(C[NH2+][C@H](C)CCCC[NH3+])Cc1ccccc1 ZINC000423083361 237512467 /nfs/dbraw/zinc/51/24/67/237512467.db2.gz YSBYSCNGKWHDEJ-JFIYKMOQSA-N 2 0 292.467 2.723 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1C ZINC000423084908 237513523 /nfs/dbraw/zinc/51/35/23/237513523.db2.gz IYDAXJYTQSFYLX-LSDHHAIUSA-N 2 0 262.397 2.542 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000257658184 540661912 /nfs/dbraw/zinc/66/19/12/540661912.db2.gz FVWYHEXZGOSOQW-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP Cc1cc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000297610976 200241760 /nfs/dbraw/zinc/24/17/60/200241760.db2.gz INLKHTQYAIPCQO-ZFWWWQNUSA-N 2 0 295.496 2.591 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOCc2ccccc2)[C@H]1CC[NH3+] ZINC000404298895 540677331 /nfs/dbraw/zinc/67/73/31/540677331.db2.gz FFSFPHNHDUOKFX-WBVHZDCISA-N 2 0 276.424 2.653 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000089140689 283505194 /nfs/dbraw/zinc/50/51/94/283505194.db2.gz ROINOBKCHCCIRL-TZMCWYRMSA-N 2 0 252.789 2.947 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000380944230 540692235 /nfs/dbraw/zinc/69/22/35/540692235.db2.gz BZMPTPHLJXVKAU-HOCLYGCPSA-N 2 0 276.424 2.700 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC000382139627 540701824 /nfs/dbraw/zinc/70/18/24/540701824.db2.gz PGJFTDHWKOPSFH-CVEARBPZSA-N 2 0 270.461 2.636 20 0 CFADRP CCc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000382383915 540703432 /nfs/dbraw/zinc/70/34/32/540703432.db2.gz SAMWSRYYDUMSKX-IRXDYDNUSA-N 2 0 258.409 2.810 20 0 CFADRP CCC[C@@H]([NH2+]CCC[NH2+]C)c1ccc(OC)cc1 ZINC000423205491 283561212 /nfs/dbraw/zinc/56/12/12/283561212.db2.gz VWZBADABMQIWQC-OAHLLOKOSA-N 2 0 250.386 2.736 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1(C)C ZINC000261570575 293973611 /nfs/dbraw/zinc/97/36/11/293973611.db2.gz OVXAXWSZJPNMCC-APIJFGDWSA-N 2 0 268.445 2.700 20 0 CFADRP c1cc(C2CCC2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000683779571 540780256 /nfs/dbraw/zinc/78/02/56/540780256.db2.gz DVKIEPNBCQLHIG-IRXDYDNUSA-N 2 0 256.393 2.605 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000414908955 540830353 /nfs/dbraw/zinc/83/03/53/540830353.db2.gz BQONNPDJNMZNBF-CABCVRRESA-N 2 0 288.370 2.575 20 0 CFADRP C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)[C@H]1CCCC[NH2+]1 ZINC000423103932 238201788 /nfs/dbraw/zinc/20/17/88/238201788.db2.gz AXRAJRCIYIMJOQ-CZUORRHYSA-N 2 0 271.408 2.831 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000385731754 540819395 /nfs/dbraw/zinc/81/93/95/540819395.db2.gz OSWFHOMMCHLMQY-LNSITVRQSA-N 2 0 264.800 2.818 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]1C ZINC000423095721 238197777 /nfs/dbraw/zinc/19/77/77/238197777.db2.gz FUAWBJVJSRHMQG-OHFALNGGSA-N 2 0 260.425 2.971 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423095267 238198555 /nfs/dbraw/zinc/19/85/55/238198555.db2.gz LVJMZUGCSIFZRY-RRCSTGOVSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000423099880 238199441 /nfs/dbraw/zinc/19/94/41/238199441.db2.gz UMUKPTASJQXWEA-SGMGOOAPSA-N 2 0 261.413 2.936 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000423100879 238199609 /nfs/dbraw/zinc/19/96/09/238199609.db2.gz CCOCWUYBNREYIU-KTQGLZRJSA-N 2 0 298.377 2.980 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098707 238199734 /nfs/dbraw/zinc/19/97/34/238199734.db2.gz DJLWAMPTOWDRNO-KGLIPLIRSA-N 2 0 277.799 2.764 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178955865 189157509 /nfs/dbraw/zinc/15/75/09/189157509.db2.gz KBUMCWZJZWZEID-ZDUSSCGKSA-N 2 0 250.411 2.885 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000414924367 540830192 /nfs/dbraw/zinc/83/01/92/540830192.db2.gz KAJDIHPMWFBELP-GHMZBOCLSA-N 2 0 256.752 2.839 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178968368 189158159 /nfs/dbraw/zinc/15/81/59/189158159.db2.gz DZRRRINNKWOPDA-QGZVFWFLSA-N 2 0 288.435 2.702 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000414928486 540830904 /nfs/dbraw/zinc/83/09/04/540830904.db2.gz QBLZBVDXZCNVHI-MNOVXSKESA-N 2 0 256.752 2.839 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000414925188 540831009 /nfs/dbraw/zinc/83/10/09/540831009.db2.gz LKIDQOBNZAJAAS-CABCVRRESA-N 2 0 298.390 2.628 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000414925083 540831306 /nfs/dbraw/zinc/83/13/06/540831306.db2.gz KZHBEOIBSBIKGY-HOTGVXAUSA-N 2 0 274.408 2.835 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC(F)(F)C1 ZINC000423126874 238218382 /nfs/dbraw/zinc/21/83/82/238218382.db2.gz JFJBDRKGIILQSL-FZMZJTMJSA-N 2 0 268.351 2.580 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OC(C)C ZINC000414934732 540831670 /nfs/dbraw/zinc/83/16/70/540831670.db2.gz YDJYISMAXAZPDF-CABCVRRESA-N 2 0 292.423 2.842 20 0 CFADRP CCc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414931072 540831887 /nfs/dbraw/zinc/83/18/87/540831887.db2.gz UBOQWPDVVWNJKL-QWHCGFSZSA-N 2 0 250.361 2.748 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423131161 238219018 /nfs/dbraw/zinc/21/90/18/238219018.db2.gz ZKVFXXINLWRUHC-QBPKDAKJSA-N 2 0 274.408 2.624 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414933576 540831919 /nfs/dbraw/zinc/83/19/19/540831919.db2.gz XASGINKEVJPULG-RBSFLKMASA-N 2 0 264.800 2.667 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000423131165 238219255 /nfs/dbraw/zinc/21/92/55/238219255.db2.gz ZKVFXXINLWRUHC-YLFCFFPRSA-N 2 0 274.408 2.624 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cc2ccccc2s1 ZINC000423129126 238219503 /nfs/dbraw/zinc/21/95/03/238219503.db2.gz DSCXWQORWCPFOA-AWEZNQCLSA-N 2 0 292.448 2.787 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CCCCC2)c2ccccc21 ZINC000423129529 238219523 /nfs/dbraw/zinc/21/95/23/238219523.db2.gz FDYYZQPOPAYAIF-OLMNPRSZSA-N 2 0 288.435 2.910 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423269902 283587051 /nfs/dbraw/zinc/58/70/51/283587051.db2.gz HHWWYXYRGIQZLV-KBPBESRZSA-N 2 0 264.413 2.980 20 0 CFADRP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423113613 238208527 /nfs/dbraw/zinc/20/85/27/238208527.db2.gz URCCRMLOZDHOMG-KBAYOESNSA-N 2 0 288.435 2.679 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118152 238210305 /nfs/dbraw/zinc/21/03/05/238210305.db2.gz ZALVRPDBUWWGHT-INXRADFVSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1CC(c2ccccc2)C1 ZINC000423118231 238210744 /nfs/dbraw/zinc/21/07/44/238210744.db2.gz ZMBOVDNZVQXUOY-LVLFIUNYSA-N 2 0 288.435 2.522 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423139233 238226430 /nfs/dbraw/zinc/22/64/30/238226430.db2.gz UXQAPUVJRXSGDY-NILFDRSVSA-N 2 0 298.377 2.640 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000423147897 238233211 /nfs/dbraw/zinc/23/32/11/238233211.db2.gz TVPLVOLRXXQRBH-MGPQQGTHSA-N 2 0 296.842 2.930 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000423151026 238236026 /nfs/dbraw/zinc/23/60/26/238236026.db2.gz ZPKIWEDKXNIYOU-MLGOLLRUSA-N 2 0 280.387 2.547 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C ZINC000670267837 540848569 /nfs/dbraw/zinc/84/85/69/540848569.db2.gz VSHFCHVJWFEGAP-HUUCEWRRSA-N 2 0 282.472 2.759 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423132867 238221690 /nfs/dbraw/zinc/22/16/90/238221690.db2.gz POBDIPUYCIZWCL-YESZJQIVSA-N 2 0 258.409 2.897 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000684387362 540841360 /nfs/dbraw/zinc/84/13/60/540841360.db2.gz IMIXOZHQYYFQNT-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP CSCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423158291 238241020 /nfs/dbraw/zinc/24/10/20/238241020.db2.gz NVAUNNZSFQJKST-QRFUTXMCSA-N 2 0 268.470 2.781 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423172878 238254101 /nfs/dbraw/zinc/25/41/01/238254101.db2.gz VURNXNZLFZRMQR-WXYCVUISSA-N 2 0 262.372 2.659 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423175732 238254139 /nfs/dbraw/zinc/25/41/39/238254139.db2.gz AYPVNZYZKZNHNT-KRWDZBQOSA-N 2 0 258.409 2.658 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423179228 238258269 /nfs/dbraw/zinc/25/82/69/238258269.db2.gz JHPNKFFALLPLBO-KGLIPLIRSA-N 2 0 280.362 2.856 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)CC(F)(F)F ZINC000423183552 238261810 /nfs/dbraw/zinc/26/18/10/238261810.db2.gz MOQIUYAUUUTXSH-WHXUTIOJSA-N 2 0 252.324 2.682 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423158867 238241593 /nfs/dbraw/zinc/24/15/93/238241593.db2.gz XGKSCBZHMYHXGA-HOTGVXAUSA-N 2 0 289.467 2.757 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158356 238242799 /nfs/dbraw/zinc/24/27/99/238242799.db2.gz WLVMOUCVKNTVLR-YGRLFVJLSA-N 2 0 286.778 2.575 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000423162045 238243605 /nfs/dbraw/zinc/24/36/05/238243605.db2.gz KCQFXNLTGLEKDJ-XGUBFFRZSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1([NH3+])CCCCCC1 ZINC000423198336 238271848 /nfs/dbraw/zinc/27/18/48/238271848.db2.gz FGZLSAPYYNFEBY-RDJZCZTQSA-N 2 0 289.467 2.586 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000423186924 238262785 /nfs/dbraw/zinc/26/27/85/238262785.db2.gz OQGOMSHNZDXNJV-OLZOCXBDSA-N 2 0 292.423 2.537 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000387559068 540868066 /nfs/dbraw/zinc/86/80/66/540868066.db2.gz XCVFMFNNBZSUOZ-MRXNPFEDSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000423211647 238281154 /nfs/dbraw/zinc/28/11/54/238281154.db2.gz LATKWVHFNCWRBL-RYUDHWBXSA-N 2 0 264.438 2.887 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423213207 238281332 /nfs/dbraw/zinc/28/13/32/238281332.db2.gz MZVADWSCJITXHQ-ZIAGYGMSSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423217428 238282944 /nfs/dbraw/zinc/28/29/44/238282944.db2.gz UDTVITAZVZIWTF-LSDHHAIUSA-N 2 0 284.407 2.523 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000423220592 238284450 /nfs/dbraw/zinc/28/44/50/238284450.db2.gz YIXXFPTXZOIKKW-MJSCVDMRSA-N 2 0 288.435 2.776 20 0 CFADRP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423220015 238285517 /nfs/dbraw/zinc/28/55/17/238285517.db2.gz XQKYCGSRGGZDBQ-WBMJQRKESA-N 2 0 262.372 2.866 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000423222236 238286503 /nfs/dbraw/zinc/28/65/03/238286503.db2.gz AHYFIKAMDYOSGD-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423221277 238287234 /nfs/dbraw/zinc/28/72/34/238287234.db2.gz ZPTDACJHBCOCFM-OCCSQVGLSA-N 2 0 278.444 2.597 20 0 CFADRP C[C@H]([NH3+])CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423222546 238287696 /nfs/dbraw/zinc/28/76/96/238287696.db2.gz BOZGMOMRUCWDDH-LEUOFYLZSA-N 2 0 287.451 2.509 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423239026 238300752 /nfs/dbraw/zinc/30/07/52/238300752.db2.gz RNPNJNIDNDMGMB-IRXDYDNUSA-N 2 0 258.409 2.658 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423245876 238304010 /nfs/dbraw/zinc/30/40/10/238304010.db2.gz YVRYNFXZAXXNFN-GUDXXQAFSA-N 2 0 274.408 2.529 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423245014 238304054 /nfs/dbraw/zinc/30/40/54/238304054.db2.gz IJNAKOCGOVRSEQ-GOEBONIOSA-N 2 0 298.434 2.831 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OC(F)F)c1 ZINC000423244180 238304688 /nfs/dbraw/zinc/30/46/88/238304688.db2.gz HKFGDOKSMXXIKT-RYUDHWBXSA-N 2 0 284.350 2.938 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423248291 238307017 /nfs/dbraw/zinc/30/70/17/238307017.db2.gz MVQUVXPPAKAXPH-YJBOKZPZSA-N 2 0 272.436 2.905 20 0 CFADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254442 238310764 /nfs/dbraw/zinc/31/07/64/238310764.db2.gz YBTWPRJSHJTYHE-ABAIWWIYSA-N 2 0 264.800 2.917 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000353495556 540912688 /nfs/dbraw/zinc/91/26/88/540912688.db2.gz IOJNDXBYAQEIOC-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423258052 238315497 /nfs/dbraw/zinc/31/54/97/238315497.db2.gz LIZKKZRKOSVQQV-STQMWFEESA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423258050 238315831 /nfs/dbraw/zinc/31/58/31/238315831.db2.gz LIZKKZRKOSVQQV-OLZOCXBDSA-N 2 0 250.361 2.866 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423260812 238316949 /nfs/dbraw/zinc/31/69/49/238316949.db2.gz QTZFLRFBGXBHDX-VXGBXAGGSA-N 2 0 268.426 2.797 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cnn1C(C)C ZINC000423266354 238323811 /nfs/dbraw/zinc/32/38/11/238323811.db2.gz BTTFNXVUKGADTJ-DUVNUKRYSA-N 2 0 278.444 2.941 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1O ZINC000423269288 238325924 /nfs/dbraw/zinc/32/59/24/238325924.db2.gz FHAUKXSPKKDDIN-UBHSHLNASA-N 2 0 278.396 2.569 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423276566 238333267 /nfs/dbraw/zinc/33/32/67/238333267.db2.gz OOZLSMKTAUBSBR-SJORKVTESA-N 2 0 260.425 2.889 20 0 CFADRP Cc1cc([C@@H]([NH2+]CC(C)(C)[NH3+])C2CC2)ccc1F ZINC000423286913 238345525 /nfs/dbraw/zinc/34/55/25/238345525.db2.gz JKRJZDNBVMDTEU-AWEZNQCLSA-N 2 0 250.361 2.912 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000423294327 238350623 /nfs/dbraw/zinc/35/06/23/238350623.db2.gz UBMRJOLPRYYXGR-STQMWFEESA-N 2 0 255.365 2.952 20 0 CFADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000423293582 238351656 /nfs/dbraw/zinc/35/16/56/238351656.db2.gz AFOSFAOABJHVBL-QWRGUYRKSA-N 2 0 272.339 2.842 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000423296947 238354154 /nfs/dbraw/zinc/35/41/54/238354154.db2.gz IBIFZZYYQHAUII-IJLUTSLNSA-N 2 0 277.437 2.973 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358124546 540960028 /nfs/dbraw/zinc/96/00/28/540960028.db2.gz HLPDLTHZBDQLCV-GDBMZVCRSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]([NH2+]CCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC000156995820 540941590 /nfs/dbraw/zinc/94/15/90/540941590.db2.gz BWKMQPHLCGGREL-OAHLLOKOSA-N 2 0 276.424 2.523 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423301585 238360050 /nfs/dbraw/zinc/36/00/50/238360050.db2.gz HUPUILIIFJDPFQ-IBGZPJMESA-N 2 0 296.414 2.788 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC[NH3+] ZINC000423327088 238377774 /nfs/dbraw/zinc/37/77/74/238377774.db2.gz MSSJTBSETKROKN-XHDPSFHLSA-N 2 0 250.361 2.778 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180240290 189245586 /nfs/dbraw/zinc/24/55/86/189245586.db2.gz OCHKWPVCMZWHMO-PBHICJAKSA-N 2 0 298.434 2.659 20 0 CFADRP Cc1cccc(CC[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423328714 238381515 /nfs/dbraw/zinc/38/15/15/238381515.db2.gz ARIITZBIBNJHCH-OAHLLOKOSA-N 2 0 258.409 2.825 20 0 CFADRP Cc1cc([C@H]([NH2+]CCCC[NH3+])c2cccnc2)ccc1F ZINC000423329300 238381830 /nfs/dbraw/zinc/38/18/30/238381830.db2.gz OSJYLESPCZJRQN-KRWDZBQOSA-N 2 0 287.382 2.947 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423333168 238385418 /nfs/dbraw/zinc/38/54/18/238385418.db2.gz VMNJCFIYURBDLJ-IAQYHMDHSA-N 2 0 258.365 2.691 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000423336349 238388964 /nfs/dbraw/zinc/38/89/64/238388964.db2.gz SIXLIQVPCMUBNM-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423317111 238369963 /nfs/dbraw/zinc/36/99/63/238369963.db2.gz CFDGQRSQNMNARA-STQMWFEESA-N 2 0 262.397 2.658 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000423315413 238370513 /nfs/dbraw/zinc/37/05/13/238370513.db2.gz ARGPWZXQPWUBMQ-ZBFHGGJFSA-N 2 0 274.408 2.625 20 0 CFADRP Cc1cc(Br)cc2c1[C@@H](N[C@H](C)C[NH3+])CC2 ZINC000423319348 238373210 /nfs/dbraw/zinc/37/32/10/238373210.db2.gz FHIPYSWXPOIPHF-SKDRFNHKSA-N 2 0 283.213 2.682 20 0 CFADRP C[C@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCC[NH2+]C1 ZINC000423339581 238390180 /nfs/dbraw/zinc/39/01/80/238390180.db2.gz VKIXONDMPDWICJ-MSOLQXFVSA-N 2 0 272.436 2.987 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000483212198 540984453 /nfs/dbraw/zinc/98/44/53/540984453.db2.gz IQZJZSLPBYZNJD-PBHICJAKSA-N 2 0 260.425 2.721 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423345813 238393300 /nfs/dbraw/zinc/39/33/00/238393300.db2.gz ZDNDTFDBTOMRPN-IRXDYDNUSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423344964 238393316 /nfs/dbraw/zinc/39/33/16/238393316.db2.gz NJGJSGQKWSWRJR-JTQLQIEISA-N 2 0 252.308 2.535 20 0 CFADRP COCCC[C@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1 ZINC000423342630 238393390 /nfs/dbraw/zinc/39/33/90/238393390.db2.gz ZDFOYBDWFPRRBD-HNNXBMFYSA-N 2 0 268.376 2.622 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCC[NH3+])cc1 ZINC000423342601 238394105 /nfs/dbraw/zinc/39/41/05/238394105.db2.gz ZADDNXJSOLIAFV-APHBMKBZSA-N 2 0 262.397 2.516 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000180544787 189261603 /nfs/dbraw/zinc/26/16/03/189261603.db2.gz IBFHZIZQKISHQA-GDBMZVCRSA-N 2 0 276.424 2.700 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000312585530 541035312 /nfs/dbraw/zinc/03/53/12/541035312.db2.gz QFMOIFHDJIMEOE-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+]1CCN(C(C)(C)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000313860218 541042129 /nfs/dbraw/zinc/04/21/29/541042129.db2.gz MCHMNMWVBXSSCN-UHFFFAOYSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cnn1C(C)C ZINC000423520857 238512424 /nfs/dbraw/zinc/51/24/24/238512424.db2.gz WOJIHOAQDJFXSZ-IACUBPJLSA-N 2 0 264.417 2.550 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423548435 238524811 /nfs/dbraw/zinc/52/48/11/238524811.db2.gz REGDRDKSLPPZCQ-WBOJAVRRSA-N 2 0 286.419 2.747 20 0 CFADRP CCOCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184755520 189394910 /nfs/dbraw/zinc/39/49/10/189394910.db2.gz XXYVROBOCGUILK-HZPDHXFCSA-N 2 0 290.451 2.769 20 0 CFADRP CC[N@H+](CCC(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666635679 541124934 /nfs/dbraw/zinc/12/49/34/541124934.db2.gz XFONWMUKUJAYIQ-GHMZBOCLSA-N 2 0 252.324 2.649 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666831882 541148926 /nfs/dbraw/zinc/14/89/26/541148926.db2.gz FOJIIBUXZUYVRY-LBPRGKRZSA-N 2 0 298.390 2.660 20 0 CFADRP COc1cccc(CN[C@@H]2CCC[NH2+]CC2)c1OC(C)C ZINC000666853923 541151921 /nfs/dbraw/zinc/15/19/21/541151921.db2.gz NXBGIZGDLDIEHD-OAHLLOKOSA-N 2 0 292.423 2.714 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnc(C2CC2)s1 ZINC000666917674 541160402 /nfs/dbraw/zinc/16/04/02/541160402.db2.gz AYNGOKQZLJIARP-KCXRBIIJSA-N 2 0 277.437 2.626 20 0 CFADRP Clc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950982 541164716 /nfs/dbraw/zinc/16/47/16/541164716.db2.gz VJIZARSJBHUNFW-CYBMUJFWSA-N 2 0 250.773 2.572 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950941 541165250 /nfs/dbraw/zinc/16/52/50/541165250.db2.gz RTOLVTASZAMDKG-ZDUSSCGKSA-N 2 0 282.334 2.520 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000666950858 541165269 /nfs/dbraw/zinc/16/52/69/541165269.db2.gz NJNDZNHVOZJMTR-MRXNPFEDSA-N 2 0 258.409 2.844 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666951968 541165311 /nfs/dbraw/zinc/16/53/11/541165311.db2.gz AHOTVRGURXHYLP-CYBMUJFWSA-N 2 0 279.453 2.573 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@H]2CC23CC[NH2+]CC3)s1 ZINC000666951969 541165412 /nfs/dbraw/zinc/16/54/12/541165412.db2.gz AHOTVRGURXHYLP-ZDUSSCGKSA-N 2 0 279.453 2.573 20 0 CFADRP c1cncc(-c2cccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)c2)c1 ZINC000666952193 541166020 /nfs/dbraw/zinc/16/60/20/541166020.db2.gz JUJGIMSYPZWVLX-SFHVURJKSA-N 2 0 293.414 2.980 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954166 541166572 /nfs/dbraw/zinc/16/65/72/541166572.db2.gz RBIYEKDERNGPHJ-AWEZNQCLSA-N 2 0 264.800 2.880 20 0 CFADRP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666955557 541166946 /nfs/dbraw/zinc/16/69/46/541166946.db2.gz ZVMXFECGRGVNEE-MRXNPFEDSA-N 2 0 256.393 2.796 20 0 CFADRP c1cc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)n(-c2ccccc2)n1 ZINC000666993977 541170677 /nfs/dbraw/zinc/17/06/77/541170677.db2.gz YPLLEJPMAAMREF-OAHLLOKOSA-N 2 0 296.418 2.637 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666901576 541157908 /nfs/dbraw/zinc/15/79/08/541157908.db2.gz LQVXBBOKSXFZFS-CJNGLKHVSA-N 2 0 274.408 2.530 20 0 CFADRP CC(C)[C@H](C)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667499951 541245035 /nfs/dbraw/zinc/24/50/35/541245035.db2.gz YYXQQBOGIMNYBX-ZDUSSCGKSA-N 2 0 258.369 2.744 20 0 CFADRP CC[C@H](C)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667529733 541249875 /nfs/dbraw/zinc/24/98/75/541249875.db2.gz AVMBGVAUJAFKSC-ZDUSSCGKSA-N 2 0 258.369 2.745 20 0 CFADRP Cc1ncc(C[NH+]2CCC(OCCC(C)C)CC2)n1C ZINC000667533208 541251259 /nfs/dbraw/zinc/25/12/59/541251259.db2.gz JYVUBAXBONGXDT-UHFFFAOYSA-N 2 0 279.428 2.756 20 0 CFADRP COCc1csc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000667706190 541294863 /nfs/dbraw/zinc/29/48/63/541294863.db2.gz TYAJTSNNMMGQCK-GDBMZVCRSA-N 2 0 294.464 2.811 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1)C1CCCCC1 ZINC000667767658 541308283 /nfs/dbraw/zinc/30/82/83/541308283.db2.gz PVBINUYXVQITIG-RDJZCZTQSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000548713563 370700646 /nfs/dbraw/zinc/70/06/46/370700646.db2.gz PFVITSZDQRCTFA-AWEZNQCLSA-N 2 0 286.423 2.717 20 0 CFADRP CC[C@](C)(C[NH2+]C1CC[NH+](CC(C)C)CC1)OC ZINC000322802266 541376534 /nfs/dbraw/zinc/37/65/34/541376534.db2.gz QOYGSAOIMRYCKW-OAHLLOKOSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ncc(CN2CCc3cc(C)ccc3C2)n1C ZINC000668051915 541375078 /nfs/dbraw/zinc/37/50/78/541375078.db2.gz BGSGGPIMLWQMNW-UHFFFAOYSA-N 2 0 255.365 2.595 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000668159164 541389870 /nfs/dbraw/zinc/38/98/70/541389870.db2.gz MJUJDBMESUQNRW-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435377931 240305537 /nfs/dbraw/zinc/30/55/37/240305537.db2.gz BHKGCKOIUFQKNZ-AWEZNQCLSA-N 2 0 297.402 2.538 20 0 CFADRP CC[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435391708 240309995 /nfs/dbraw/zinc/30/99/95/240309995.db2.gz TZOIRPVUMSPUSQ-ZDUSSCGKSA-N 2 0 268.351 2.929 20 0 CFADRP CC[N@H+](CCOc1ccccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435618370 240332578 /nfs/dbraw/zinc/33/25/78/240332578.db2.gz QKXDJOHPQZJRFX-OAHLLOKOSA-N 2 0 292.423 2.538 20 0 CFADRP CSc1ccccc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000442798347 241001389 /nfs/dbraw/zinc/00/13/89/241001389.db2.gz YOFGULXFJGSDHP-CYBMUJFWSA-N 2 0 294.464 2.516 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442881384 241012789 /nfs/dbraw/zinc/01/27/89/241012789.db2.gz ZHJZEHLYBZECKE-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000442922763 241020688 /nfs/dbraw/zinc/02/06/88/241020688.db2.gz KVSWDSKQGGVJGV-BQTXGFLSSA-N 2 0 262.372 2.900 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446886579 241336028 /nfs/dbraw/zinc/33/60/28/241336028.db2.gz HDYDNWOIHBEBIU-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000447600106 241393101 /nfs/dbraw/zinc/39/31/01/241393101.db2.gz LSFPDJPRYBIXNZ-MSOLQXFVSA-N 2 0 290.451 2.665 20 0 CFADRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000449219627 241774465 /nfs/dbraw/zinc/77/44/65/241774465.db2.gz DUNMPHUOPVOKGL-QGZVFWFLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(CO)CC3)CC2)C1 ZINC000449579359 242044862 /nfs/dbraw/zinc/04/48/62/242044862.db2.gz FIHSYYMSEAGDAR-NVXWUHKLSA-N 2 0 294.483 2.782 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000449619091 242069415 /nfs/dbraw/zinc/06/94/15/242069415.db2.gz NFXCRBXSQPAKGX-JKSUJKDBSA-N 2 0 289.423 2.642 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000449529656 242006348 /nfs/dbraw/zinc/00/63/48/242006348.db2.gz YSQHCTFZSXRWAQ-UHFFFAOYSA-N 2 0 290.411 2.880 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)[C@H](C)O ZINC000449541690 242015094 /nfs/dbraw/zinc/01/50/94/242015094.db2.gz KTDPVLIXVPIKEZ-YQFWSFKMSA-N 2 0 282.472 2.779 20 0 CFADRP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)O ZINC000449543994 242016415 /nfs/dbraw/zinc/01/64/15/242016415.db2.gz PPZQFWWDWGWDRE-AHCXZYCDSA-N 2 0 290.451 2.646 20 0 CFADRP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]([NH3+])c1ccccc1 ZINC000449669895 242099963 /nfs/dbraw/zinc/09/99/63/242099963.db2.gz WGTNLPAYGJGHRA-SJKOYZFVSA-N 2 0 295.386 2.564 20 0 CFADRP C[C@]1(C[NH2+]C2CCC3(CCOCC3)CC2)CCC[NH2+]C1 ZINC000334875827 291389494 /nfs/dbraw/zinc/38/94/94/291389494.db2.gz UBBDSDCRQAFRPS-INIZCTEOSA-N 2 0 280.456 2.705 20 0 CFADRP C[C@H]1C[NH+](C/C=C/C[N@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000674493483 541569981 /nfs/dbraw/zinc/56/99/81/541569981.db2.gz IKPMNEWXIPDREK-QIPZNREISA-N 2 0 250.430 2.718 20 0 CFADRP CC(C)(C)OCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000674910097 541606510 /nfs/dbraw/zinc/60/65/10/541606510.db2.gz ZWKWEHRCKPWDNH-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOC(C)(C)C)C1 ZINC000674910048 541606567 /nfs/dbraw/zinc/60/65/67/541606567.db2.gz YSXKNMDGLLOTTQ-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP CCC(=O)CCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000450265361 242330777 /nfs/dbraw/zinc/33/07/77/242330777.db2.gz XHSGJAMSQUQHBU-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CO[C@H](CC(C)C)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000419214097 294367011 /nfs/dbraw/zinc/36/70/11/294367011.db2.gz KCLNQCDXEAOZHP-HZPDHXFCSA-N 2 0 270.461 2.854 20 0 CFADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000124747847 296118674 /nfs/dbraw/zinc/11/86/74/296118674.db2.gz BGRRDRKHRSCRGE-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000297299040 296120922 /nfs/dbraw/zinc/12/09/22/296120922.db2.gz HNIDYVQCKSVOGV-CQSZACIVSA-N 2 0 260.425 2.942 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422708017 296121545 /nfs/dbraw/zinc/12/15/45/296121545.db2.gz BEEXVSLMJBZZEI-SJORKVTESA-N 3 0 281.488 2.763 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000675735572 541685998 /nfs/dbraw/zinc/68/59/98/541685998.db2.gz QRTVXFYSSLICLW-WFASDCNBSA-N 2 0 292.398 2.753 20 0 CFADRP CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675742813 541687268 /nfs/dbraw/zinc/68/72/68/541687268.db2.gz WQBGLKIFYKIEPH-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000675750121 541688350 /nfs/dbraw/zinc/68/83/50/541688350.db2.gz PNQZTSRJFGZEIF-DLBZAZTESA-N 3 0 295.515 2.961 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000675735570 541685798 /nfs/dbraw/zinc/68/57/98/541685798.db2.gz QRTVXFYSSLICLW-SWLSCSKDSA-N 2 0 292.398 2.753 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCC1 ZINC000453059749 243380828 /nfs/dbraw/zinc/38/08/28/243380828.db2.gz NDLCKIRDNBJNMR-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000453086649 243395504 /nfs/dbraw/zinc/39/55/04/243395504.db2.gz PCPZCKDKPJLVDB-CZUORRHYSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@@H]([NH2+]CCCO[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422979274 296124271 /nfs/dbraw/zinc/12/42/71/296124271.db2.gz IXRPEFRHTAXBOZ-KDOFPFPSSA-N 2 0 288.435 2.668 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(O)c2)CC1 ZINC000675816748 541698491 /nfs/dbraw/zinc/69/84/91/541698491.db2.gz HGIATIGNPFJTML-AWEZNQCLSA-N 2 0 276.424 2.787 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423023755 299391854 /nfs/dbraw/zinc/39/18/54/299391854.db2.gz KMYPZGUWRPMXMD-LJISPDSOSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)[N@H+](C)CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456262869 244118496 /nfs/dbraw/zinc/11/84/96/244118496.db2.gz GSBSORNSERZDML-MRXNPFEDSA-N 2 0 289.423 2.514 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(N2CCCC2)c1 ZINC000422872944 296145105 /nfs/dbraw/zinc/14/51/05/296145105.db2.gz JGFJVHXJSJUOBZ-KGLIPLIRSA-N 2 0 273.424 2.545 20 0 CFADRP CC(C)OC1CC([N@@H+]2CC[C@H](CNc3ccccn3)C2)C1 ZINC000459348084 245151628 /nfs/dbraw/zinc/15/16/28/245151628.db2.gz WBXRXWLEIIOZTG-QQFBHYJXSA-N 2 0 289.423 2.771 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459424012 245174055 /nfs/dbraw/zinc/17/40/55/245174055.db2.gz PZRFBCZZNHSCGQ-UHFFFAOYSA-N 2 0 288.439 2.566 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cn[nH]c2)C[N@@H+]1Cc1ccccc1 ZINC000677129378 541824596 /nfs/dbraw/zinc/82/45/96/541824596.db2.gz RGLWAWMHXCOAJO-WBVHZDCISA-N 2 0 298.434 2.800 20 0 CFADRP CCOc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1O ZINC000459601078 245236615 /nfs/dbraw/zinc/23/66/15/245236615.db2.gz VVJVXLFXBCBLBZ-UHFFFAOYSA-N 2 0 292.423 2.755 20 0 CFADRP COc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459743121 245298929 /nfs/dbraw/zinc/29/89/29/245298929.db2.gz WGFRMZFMEDYDJV-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000459743152 245299713 /nfs/dbraw/zinc/29/97/13/245299713.db2.gz WNEPQJYCSAFEKN-LBPRGKRZSA-N 2 0 268.351 2.786 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCCn1ccnc1 ZINC000459753006 245305726 /nfs/dbraw/zinc/30/57/26/245305726.db2.gz CPIHQVAGLKKABC-AWEZNQCLSA-N 2 0 275.371 2.975 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459780972 245323260 /nfs/dbraw/zinc/32/32/60/245323260.db2.gz MDUOYGLCHBLUEQ-KGLIPLIRSA-N 2 0 250.386 2.532 20 0 CFADRP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1O ZINC000459792542 245330540 /nfs/dbraw/zinc/33/05/40/245330540.db2.gz SHYISEJYIZOZBY-CQSZACIVSA-N 2 0 292.423 2.612 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCOc2ccccc2)CC1 ZINC000000019746 371509636 /nfs/dbraw/zinc/50/96/36/371509636.db2.gz AXHGTEHKAMVLCO-UHFFFAOYSA-N 2 0 276.424 2.729 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000011888871 371934733 /nfs/dbraw/zinc/93/47/33/371934733.db2.gz YUQKWYFSFMDXGZ-OAHLLOKOSA-N 2 0 264.388 2.690 20 0 CFADRP C[N@H+](Cc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000036300885 372570481 /nfs/dbraw/zinc/57/04/81/372570481.db2.gz LHBBDGZDHKVYPN-UHFFFAOYSA-N 2 0 283.213 2.633 20 0 CFADRP CCOCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037762177 372700976 /nfs/dbraw/zinc/70/09/76/372700976.db2.gz QTVWCZYQQBNCBJ-AYHJJNSGSA-N 2 0 288.435 2.938 20 0 CFADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037622556 372678376 /nfs/dbraw/zinc/67/83/76/372678376.db2.gz ZIDGXWMJFYGXEZ-KRWDZBQOSA-N 2 0 291.439 2.984 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000037649335 372683730 /nfs/dbraw/zinc/68/37/30/372683730.db2.gz LESGKKXNZNIRBN-STQMWFEESA-N 2 0 262.372 2.961 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037679014 372689391 /nfs/dbraw/zinc/68/93/91/372689391.db2.gz LIJNQOXYEPJDDK-HNNXBMFYSA-N 2 0 274.408 2.659 20 0 CFADRP CCc1noc(C2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000333117909 205043511 /nfs/dbraw/zinc/04/35/11/205043511.db2.gz HSMICUUXTXLOIO-HHTDUIENSA-N 2 0 292.427 2.518 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000474867920 245573108 /nfs/dbraw/zinc/57/31/08/245573108.db2.gz JWFTXZUAGMXEHO-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)s1 ZINC000041202874 372827227 /nfs/dbraw/zinc/82/72/27/372827227.db2.gz XVXZSPCUULXPAP-AWEZNQCLSA-N 2 0 295.496 2.599 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000041665321 372856402 /nfs/dbraw/zinc/85/64/02/372856402.db2.gz UIADQDMAUZSSTF-IIAWOOMASA-N 2 0 276.424 2.715 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)CC1CC[NH2+]CC1 ZINC000042519678 372931960 /nfs/dbraw/zinc/93/19/60/372931960.db2.gz HIMRSEHBRIKAKT-UHFFFAOYSA-N 2 0 252.427 2.958 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000044516338 373003943 /nfs/dbraw/zinc/00/39/43/373003943.db2.gz FLWIAVWEYJMVLU-UHFFFAOYSA-N 2 0 262.441 2.743 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044533069 373005081 /nfs/dbraw/zinc/00/50/81/373005081.db2.gz QLTNVLSHGXWZAN-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CCCC[NH+](C)C ZINC000045663553 373026341 /nfs/dbraw/zinc/02/63/41/373026341.db2.gz KVMWHJRAWLJDCG-ZDUSSCGKSA-N 2 0 250.386 2.688 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000045664057 373027554 /nfs/dbraw/zinc/02/75/54/373027554.db2.gz SVUZMKPZZWEQKM-CQSZACIVSA-N 2 0 264.413 2.558 20 0 CFADRP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000047892371 373127262 /nfs/dbraw/zinc/12/72/62/373127262.db2.gz ULOVKFSMFVJOBA-OAHLLOKOSA-N 2 0 258.409 2.877 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000050343562 373369554 /nfs/dbraw/zinc/36/95/54/373369554.db2.gz GXHYRLRKYIFOHD-RYUDHWBXSA-N 2 0 250.411 2.883 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000051919493 373417255 /nfs/dbraw/zinc/41/72/55/373417255.db2.gz VXNVNELZIHMZTH-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP Cc1c[nH+]ccc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000192519834 220226161 /nfs/dbraw/zinc/22/61/61/220226161.db2.gz ZNSWFVBJKFSSRM-UHFFFAOYSA-N 2 0 261.413 2.948 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCO2)C[NH+]1CCCC1 ZINC000062077451 373746499 /nfs/dbraw/zinc/74/64/99/373746499.db2.gz ZSEPPWDGMKAHCW-KGLIPLIRSA-N 2 0 290.407 2.798 20 0 CFADRP C[C@H](C[NH2+][C@H](C)CCc1ccco1)C[NH+]1CCCC1 ZINC000062078387 373747095 /nfs/dbraw/zinc/74/70/95/373747095.db2.gz LSEQNTWPBOSCHF-HUUCEWRRSA-N 2 0 264.413 2.922 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000063158995 373788368 /nfs/dbraw/zinc/78/83/68/373788368.db2.gz ZKAONXVRSBXFOP-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000063221613 373800206 /nfs/dbraw/zinc/80/02/06/373800206.db2.gz MLSCTHZMTWHBFD-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2sccc2C)CC1 ZINC000066057126 373908856 /nfs/dbraw/zinc/90/88/56/373908856.db2.gz WOPFIUWCDMYBPK-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2ccnc2)cc1 ZINC000289530355 197391147 /nfs/dbraw/zinc/39/11/47/197391147.db2.gz VYYIRZHZTOBNFZ-UHFFFAOYSA-N 2 0 286.423 2.646 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000571461342 383696838 /nfs/dbraw/zinc/69/68/38/383696838.db2.gz ICQNDEXKCJQILU-HOTGVXAUSA-N 2 0 276.424 2.932 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070169414 374135909 /nfs/dbraw/zinc/13/59/09/374135909.db2.gz YPIKRYHPTOYUCN-AWEZNQCLSA-N 2 0 262.397 2.646 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000070170602 374136005 /nfs/dbraw/zinc/13/60/05/374136005.db2.gz FNJAWJYGHFHTFG-ZDUSSCGKSA-N 2 0 287.382 2.935 20 0 CFADRP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070174388 374141271 /nfs/dbraw/zinc/14/12/71/374141271.db2.gz JAJREYGRIFIOAF-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP Clc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000070600379 374199627 /nfs/dbraw/zinc/19/96/27/374199627.db2.gz CKKYJEOZXUOMFQ-JTQLQIEISA-N 2 0 258.818 2.881 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070498129 374187107 /nfs/dbraw/zinc/18/71/07/374187107.db2.gz BSOPSEJBWCNRSV-DYVFJYSZSA-N 2 0 258.409 2.735 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc2c(c1)CCCC2)C[NH+](C)C ZINC000491557602 246079157 /nfs/dbraw/zinc/07/91/57/246079157.db2.gz CPUHTYSSYBVZPS-CQSZACIVSA-N 2 0 260.425 2.853 20 0 CFADRP CC[NH+](CC)Cc1ccc(NC(=O)/C=C\C[NH+](C)C)cc1 ZINC000491991278 246149914 /nfs/dbraw/zinc/14/99/14/246149914.db2.gz NEQAUNDJYFPFIQ-FPLPWBNLSA-N 2 0 289.423 2.585 20 0 CFADRP Cc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(C)s1 ZINC000571504406 383701081 /nfs/dbraw/zinc/70/10/81/383701081.db2.gz BAGYITGYNJJJCO-AWEZNQCLSA-N 2 0 252.427 2.987 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)C12CCC2 ZINC000087709045 374827583 /nfs/dbraw/zinc/82/75/83/374827583.db2.gz CLQJJUBCLJGRFQ-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000084677906 374787063 /nfs/dbraw/zinc/78/70/63/374787063.db2.gz VLEGDZVZXSLBQU-INIZCTEOSA-N 2 0 260.425 2.811 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089139211 374872878 /nfs/dbraw/zinc/87/28/78/374872878.db2.gz NBWCVQIKVJFNSH-NVXWUHKLSA-N 2 0 275.440 2.620 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000089150613 374874727 /nfs/dbraw/zinc/87/47/27/374874727.db2.gz ONTCLMDSKFBTDL-GXFFZTMASA-N 2 0 272.314 2.922 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000089147274 374874960 /nfs/dbraw/zinc/87/49/60/374874960.db2.gz JJZVIBBXWLGFDJ-WCQYABFASA-N 2 0 272.314 2.922 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000089146292 374875450 /nfs/dbraw/zinc/87/54/50/374875450.db2.gz MKHWNCNKICGUOA-XPKDYRNWSA-N 2 0 264.388 2.864 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000089147273 374875507 /nfs/dbraw/zinc/87/55/07/374875507.db2.gz JJZVIBBXWLGFDJ-YPMHNXCESA-N 2 0 272.314 2.922 20 0 CFADRP c1csc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000089749259 374943880 /nfs/dbraw/zinc/94/38/80/374943880.db2.gz KAEKXMLHPOIFGQ-LBPRGKRZSA-N 2 0 250.411 2.712 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000089425877 374904214 /nfs/dbraw/zinc/90/42/14/374904214.db2.gz NQGMPJNFTABQCK-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1(C)CC1 ZINC000090523440 375019660 /nfs/dbraw/zinc/01/96/60/375019660.db2.gz GEVJAZFQPBWVQT-BPUTZDHNSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000090525540 375019714 /nfs/dbraw/zinc/01/97/14/375019714.db2.gz BXSGPGXNSDCQHY-ULQDDVLXSA-N 2 0 282.472 2.779 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000092300282 375101362 /nfs/dbraw/zinc/10/13/62/375101362.db2.gz LPWXTMAXQGLPJD-AWEZNQCLSA-N 2 0 274.408 2.627 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccnc1 ZINC000092737800 375147007 /nfs/dbraw/zinc/14/70/07/375147007.db2.gz JXJKAZYEDQZSMF-AWEZNQCLSA-N 2 0 269.392 2.994 20 0 CFADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000112633241 296226464 /nfs/dbraw/zinc/22/64/64/296226464.db2.gz KWTBJPIVRHVMJE-WCFLWFBJSA-N 2 0 284.325 2.918 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000093496639 375253680 /nfs/dbraw/zinc/25/36/80/375253680.db2.gz WMANBQWLGMDZNR-ZFWWWQNUSA-N 2 0 290.407 2.816 20 0 CFADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488567 375253845 /nfs/dbraw/zinc/25/38/45/375253845.db2.gz JTVJHOYBDRYAQJ-OWCLPIDISA-N 2 0 268.445 2.702 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000093874060 375328160 /nfs/dbraw/zinc/32/81/60/375328160.db2.gz PVKHJHRRLJSFSL-UHFFFAOYSA-N 2 0 268.376 2.511 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000093946567 375332347 /nfs/dbraw/zinc/33/23/47/375332347.db2.gz JQVIBRXKOUBTKU-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)CC1CC[NH2+]CC1 ZINC000094024825 375335613 /nfs/dbraw/zinc/33/56/13/375335613.db2.gz YDKUXBUUAIIKNO-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000094070182 375338601 /nfs/dbraw/zinc/33/86/01/375338601.db2.gz OYFGVQXBZFUHRP-UHFFFAOYSA-N 2 0 282.815 2.670 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000094338725 375352508 /nfs/dbraw/zinc/35/25/08/375352508.db2.gz HJXNRRUSUVEJLL-CJNGLKHVSA-N 2 0 262.397 2.643 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094370359 375357540 /nfs/dbraw/zinc/35/75/40/375357540.db2.gz FORRGEOAKDIEOF-JKSUJKDBSA-N 2 0 298.496 2.505 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000094522080 375365386 /nfs/dbraw/zinc/36/53/86/375365386.db2.gz XWNNJVMEYISZEN-UHFFFAOYSA-N 2 0 258.409 2.995 20 0 CFADRP COC(=O)Nc1ccc(CC[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000497027563 247040158 /nfs/dbraw/zinc/04/01/58/247040158.db2.gz SOHKXKPVAXWILA-CYBMUJFWSA-N 2 0 293.411 2.515 20 0 CFADRP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000502551783 247113314 /nfs/dbraw/zinc/11/33/14/247113314.db2.gz NQJIEYCSQHRZLI-QGZVFWFLSA-N 2 0 290.451 2.956 20 0 CFADRP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)C[NH+]1CCCC1 ZINC000102423352 375674398 /nfs/dbraw/zinc/67/43/98/375674398.db2.gz WBLPLPOSUUZTIX-OAHLLOKOSA-N 2 0 286.419 2.784 20 0 CFADRP CC[N@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C1CC1 ZINC000507228191 247170591 /nfs/dbraw/zinc/17/05/91/247170591.db2.gz JWRCQWNDDWQPIT-UHFFFAOYSA-N 2 0 287.451 2.813 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000513697345 247224800 /nfs/dbraw/zinc/22/48/00/247224800.db2.gz MNUBRQNDNWWEPR-RCCFBDPRSA-N 2 0 288.435 2.836 20 0 CFADRP C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)C1CC[NH+](C)CC1 ZINC000678609596 542054647 /nfs/dbraw/zinc/05/46/47/542054647.db2.gz ZNTDLTMBHYCATG-SUMWQHHRSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000105480672 375789826 /nfs/dbraw/zinc/78/98/26/375789826.db2.gz LIGJRGUWLZWOMP-FZMZJTMJSA-N 2 0 252.789 2.770 20 0 CFADRP CCC[NH+]1CCC(NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000678772870 542067885 /nfs/dbraw/zinc/06/78/85/542067885.db2.gz SFEUSRZMLMOAKL-QGZVFWFLSA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000113511959 376021286 /nfs/dbraw/zinc/02/12/86/376021286.db2.gz PSEJYLQTRWJYRL-AWEZNQCLSA-N 2 0 269.392 2.618 20 0 CFADRP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842492 376320100 /nfs/dbraw/zinc/32/01/00/376320100.db2.gz YSRBEFHHFAAISD-KRWDZBQOSA-N 2 0 298.434 2.646 20 0 CFADRP C[NH+](CCCC[N@@H+](C)Cc1cccnc1)Cc1cccnc1 ZINC000118401429 376293375 /nfs/dbraw/zinc/29/33/75/376293375.db2.gz STOKMBYKTDSZPP-UHFFFAOYSA-N 2 0 298.434 2.821 20 0 CFADRP CN(CCC[NH+]1CCCC1)CCOCc1ccccc1 ZINC000119424192 376412773 /nfs/dbraw/zinc/41/27/73/376412773.db2.gz SPEJVQNIAMYVQJ-UHFFFAOYSA-N 2 0 276.424 2.621 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000119137117 376360259 /nfs/dbraw/zinc/36/02/59/376360259.db2.gz KBRGBCWIROOHMI-ROUUACIJSA-N 2 0 288.435 2.666 20 0 CFADRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000119880917 376494586 /nfs/dbraw/zinc/49/45/86/376494586.db2.gz GCJAETPGIBMMPM-WQMJKPAKSA-N 2 0 296.842 2.646 20 0 CFADRP CCCC1CCC(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000678844268 542082603 /nfs/dbraw/zinc/08/26/03/542082603.db2.gz WCRUMTMIZNMTPV-QDIHITRGSA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@H](COC)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000120754060 376683692 /nfs/dbraw/zinc/68/36/92/376683692.db2.gz OHPVTKNGWRLIKW-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@@H](NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000120762641 376687700 /nfs/dbraw/zinc/68/77/00/376687700.db2.gz MMRPEJJBTLCKKP-CVEARBPZSA-N 2 0 281.488 2.713 20 0 CFADRP Cc1cnccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000120858237 376708454 /nfs/dbraw/zinc/70/84/54/376708454.db2.gz YMTUOGQEIBBNPO-AGUYFDCRSA-N 2 0 288.395 2.527 20 0 CFADRP COc1cccc(CCC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000121033350 376750618 /nfs/dbraw/zinc/75/06/18/376750618.db2.gz JSRDUGKTZYHUOR-KRWDZBQOSA-N 2 0 290.451 2.901 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)(C)O ZINC000679017018 542109779 /nfs/dbraw/zinc/10/97/79/542109779.db2.gz SHPBOMVZJIHPFS-IIAWOOMASA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]([NH2+]C1(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000679031521 542112695 /nfs/dbraw/zinc/11/26/95/542112695.db2.gz DWQYKXHOJCGFNE-CQSZACIVSA-N 2 0 258.409 2.996 20 0 CFADRP C[C@@H]1C[C@@H](Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000679143017 542127040 /nfs/dbraw/zinc/12/70/40/542127040.db2.gz OKJXPWFTUUCOFX-PBHICJAKSA-N 2 0 275.440 2.685 20 0 CFADRP CCN(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(C)C ZINC000121620869 376870468 /nfs/dbraw/zinc/87/04/68/376870468.db2.gz DYYWXCWTHHRSHS-XHSDSOJGSA-N 2 0 280.456 2.654 20 0 CFADRP CCSCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121814194 376910391 /nfs/dbraw/zinc/91/03/91/376910391.db2.gz RSVNZVHVBHEVMC-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000070443378 284606904 /nfs/dbraw/zinc/60/69/04/284606904.db2.gz RJFOVAFCEIFLSO-ZIAGYGMSSA-N 2 0 266.433 2.581 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000125101321 377116822 /nfs/dbraw/zinc/11/68/22/377116822.db2.gz MATXYEOIDGITPT-IRXDYDNUSA-N 2 0 273.424 2.657 20 0 CFADRP Cc1ccccc1OCCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000124759402 377085209 /nfs/dbraw/zinc/08/52/09/377085209.db2.gz FVSQYQGPEJTMBY-MRXNPFEDSA-N 2 0 276.424 2.790 20 0 CFADRP CC(C)CCn1cccc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000125565925 377170070 /nfs/dbraw/zinc/17/00/70/377170070.db2.gz ZCMZSFVJUKWJKJ-MRXNPFEDSA-N 2 0 277.456 2.918 20 0 CFADRP CC[C@@H](NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000125739284 377189066 /nfs/dbraw/zinc/18/90/66/377189066.db2.gz HHXAXQWLIVEQAY-GOEBONIOSA-N 2 0 278.444 2.581 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000126542505 377233261 /nfs/dbraw/zinc/23/32/61/377233261.db2.gz SDNFORMHVLPRFV-LRDDRELGSA-N 2 0 290.838 2.881 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127083348 377262968 /nfs/dbraw/zinc/26/29/68/377262968.db2.gz OEJCKATZGLPVBA-KLHDSHLOSA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125887298 377199742 /nfs/dbraw/zinc/19/97/42/377199742.db2.gz ZSVMIWJVYYMHFB-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127781746 377302448 /nfs/dbraw/zinc/30/24/48/377302448.db2.gz YCVCGBWNFWODAY-WBMJQRKESA-N 2 0 289.398 2.779 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1C ZINC000127839031 377304079 /nfs/dbraw/zinc/30/40/79/377304079.db2.gz PYRJVVSFMWITPK-DOMZBBRYSA-N 2 0 289.398 2.922 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000129026936 377375348 /nfs/dbraw/zinc/37/53/48/377375348.db2.gz VHPLIVZIDRGNLP-CYBMUJFWSA-N 2 0 262.372 2.708 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCN(C)c2ccccc2F)CC[N@@H+]1C ZINC000129086436 377381984 /nfs/dbraw/zinc/38/19/84/377381984.db2.gz MAZBRDKXQRCLMX-HUUCEWRRSA-N 2 0 293.430 2.724 20 0 CFADRP COc1cccc(F)c1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000129156835 377392530 /nfs/dbraw/zinc/39/25/30/377392530.db2.gz ZCUISQXYGXCEES-VOMCLLRMSA-N 2 0 266.360 2.755 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000128763862 377355849 /nfs/dbraw/zinc/35/58/49/377355849.db2.gz NGLLPVYKOIKOGN-KBPBESRZSA-N 2 0 256.434 2.654 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000129628328 377453662 /nfs/dbraw/zinc/45/36/62/377453662.db2.gz DYECFDCSDHZNJO-JKSUJKDBSA-N 2 0 275.440 2.585 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000129891533 377486348 /nfs/dbraw/zinc/48/63/48/377486348.db2.gz YJGFLEPSDKFENJ-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000129981197 377497058 /nfs/dbraw/zinc/49/70/58/377497058.db2.gz NXAFCKRKWGCMNH-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CCC2(CC2)CC1 ZINC000362911704 284639278 /nfs/dbraw/zinc/63/92/78/284639278.db2.gz CQSGXANPCFHIJE-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000349697975 284640283 /nfs/dbraw/zinc/64/02/83/284640283.db2.gz WZRKGDNLGFRRTN-ARFHVFGLSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc(CC[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000130900965 377629419 /nfs/dbraw/zinc/62/94/19/377629419.db2.gz XZZAHSMREDXXOX-INIZCTEOSA-N 2 0 264.413 2.543 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000131546784 377727790 /nfs/dbraw/zinc/72/77/90/377727790.db2.gz XPZIMKVLDJBEFB-STQMWFEESA-N 2 0 271.364 2.511 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000132237309 377818472 /nfs/dbraw/zinc/81/84/72/377818472.db2.gz KDRZRJFPBLVAGL-GXTWGEPZSA-N 2 0 274.408 2.569 20 0 CFADRP CCSCC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000132292093 377823146 /nfs/dbraw/zinc/82/31/46/377823146.db2.gz LEXMXUBJXYQAQN-CYBMUJFWSA-N 2 0 258.475 2.981 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000132355650 377828589 /nfs/dbraw/zinc/82/85/89/377828589.db2.gz YQBVUBWFCVDXTP-SQNIBIBYSA-N 2 0 295.515 2.959 20 0 CFADRP CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000132736206 377872376 /nfs/dbraw/zinc/87/23/76/377872376.db2.gz CZPNLHFKRRQUDD-CQSZACIVSA-N 2 0 276.424 2.531 20 0 CFADRP COc1ccccc1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000133365885 377923376 /nfs/dbraw/zinc/92/33/76/377923376.db2.gz QYYZZNQBDFZYAH-CQSZACIVSA-N 2 0 250.386 2.500 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000133910534 377967760 /nfs/dbraw/zinc/96/77/60/377967760.db2.gz GZXMPSFBNQVZLM-HNNXBMFYSA-N 2 0 260.425 2.797 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000134075078 377980288 /nfs/dbraw/zinc/98/02/88/377980288.db2.gz YEOCACBFDPXBKK-QBPKDAKJSA-N 2 0 295.515 2.815 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000135373917 378124785 /nfs/dbraw/zinc/12/47/85/378124785.db2.gz RCZYTHKASJMYKV-UHFFFAOYSA-N 2 0 256.752 2.650 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000529538494 383725707 /nfs/dbraw/zinc/72/57/07/383725707.db2.gz PKDAHBZGKAHIKS-UHFFFAOYSA-N 2 0 287.382 2.962 20 0 CFADRP c1csc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000135217526 378099234 /nfs/dbraw/zinc/09/92/34/378099234.db2.gz OEHFMXVRJZKVQF-OCCSQVGLSA-N 2 0 277.437 2.592 20 0 CFADRP CN(c1ccccc1C[NH2+]CCCF)C1CC[NH+](C)CC1 ZINC000136515225 378201358 /nfs/dbraw/zinc/20/13/58/378201358.db2.gz FLMAMCYFLWALQG-UHFFFAOYSA-N 2 0 293.430 2.666 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000149571433 378265540 /nfs/dbraw/zinc/26/55/40/378265540.db2.gz VEXKQCRUVZUWLK-SJKOYZFVSA-N 2 0 274.383 2.887 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150828851 378274580 /nfs/dbraw/zinc/27/45/80/378274580.db2.gz PFIPYVIVGZUGBM-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP CC(C)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000150919967 378281184 /nfs/dbraw/zinc/28/11/84/378281184.db2.gz BKSNDKNLQAUEIP-AWEZNQCLSA-N 2 0 264.413 2.934 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccn2C)CN1Cc1ccccc1 ZINC000151319569 378316327 /nfs/dbraw/zinc/31/63/27/378316327.db2.gz SDDPEABETLCILJ-RDJZCZTQSA-N 2 0 283.419 2.778 20 0 CFADRP C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000151380544 378321543 /nfs/dbraw/zinc/32/15/43/378321543.db2.gz KADRCUMSHZMPNJ-KEYYUXOJSA-N 2 0 258.409 2.895 20 0 CFADRP c1cn(-c2ncccc2C[NH2+]C(C2CC2)C2CC2)cn1 ZINC000151490630 378330831 /nfs/dbraw/zinc/33/08/31/378330831.db2.gz VLKNRRHOIOJRSM-UHFFFAOYSA-N 2 0 268.364 2.546 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000329617954 378470367 /nfs/dbraw/zinc/47/03/67/378470367.db2.gz GAGDSRQQPXAJAQ-ZIAGYGMSSA-N 2 0 298.390 2.684 20 0 CFADRP CN(C/C=C/c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152466724 378418465 /nfs/dbraw/zinc/41/84/65/378418465.db2.gz DWIVKXBISWJTMB-BHMZLHOFSA-N 2 0 258.409 2.973 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000154260710 378552266 /nfs/dbraw/zinc/55/22/66/378552266.db2.gz UBAMQVPGXAJAFX-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154365341 378561444 /nfs/dbraw/zinc/56/14/44/378561444.db2.gz WVCFGNLKNGLNLG-QGZVFWFLSA-N 2 0 281.488 2.739 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000154443701 378567408 /nfs/dbraw/zinc/56/74/08/378567408.db2.gz HKBILINHNKPPPE-OAHLLOKOSA-N 2 0 293.455 2.520 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000155920639 378633873 /nfs/dbraw/zinc/63/38/73/378633873.db2.gz NFHPBJCUVHLXNC-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154632382 378585952 /nfs/dbraw/zinc/58/59/52/378585952.db2.gz DHAXVGJSFWPPAF-BPQIPLTHSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000157654054 378658372 /nfs/dbraw/zinc/65/83/72/378658372.db2.gz OYTGVMVAECODDN-DOTOQJQBSA-N 2 0 272.436 2.956 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000158577857 378670343 /nfs/dbraw/zinc/67/03/43/378670343.db2.gz SWNAKDAVXIFKTE-ZJPYXAASSA-N 3 0 295.515 2.674 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccn1 ZINC000529566662 383730851 /nfs/dbraw/zinc/73/08/51/383730851.db2.gz DYCLDQSWWQZUIV-QGZVFWFLSA-N 2 0 273.424 2.554 20 0 CFADRP CCc1cc(Nc2cnn(-c3cc[nH+]cc3)c2)nc(C)n1 ZINC000679836778 542240778 /nfs/dbraw/zinc/24/07/78/542240778.db2.gz XSFZDLAPDPOWKE-UHFFFAOYSA-N 2 0 280.335 2.672 20 0 CFADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000571843269 383731148 /nfs/dbraw/zinc/73/11/48/383731148.db2.gz AXNHGJLDROCNPS-CZUORRHYSA-N 2 0 298.858 2.515 20 0 CFADRP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000161589153 378857341 /nfs/dbraw/zinc/85/73/41/378857341.db2.gz CHOWPEFOQVIISB-CYBMUJFWSA-N 2 0 252.427 2.830 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000278519831 194024940 /nfs/dbraw/zinc/02/49/40/194024940.db2.gz SFNMHTGUMKZKDP-CYBMUJFWSA-N 2 0 259.397 2.607 20 0 CFADRP c1[nH]nc2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)ccc12 ZINC000278512396 194020554 /nfs/dbraw/zinc/02/05/54/194020554.db2.gz QCGFCPRFOAJYLN-UHFFFAOYSA-N 2 0 284.407 2.527 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000162719900 378927614 /nfs/dbraw/zinc/92/76/14/378927614.db2.gz ZNBHFMUTDWRIQA-GOEBONIOSA-N 2 0 261.413 2.790 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000334221293 378944455 /nfs/dbraw/zinc/94/44/55/378944455.db2.gz TUBXUNPMSIVICK-MAUKXSAKSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000162983877 378947525 /nfs/dbraw/zinc/94/75/25/378947525.db2.gz YZORIDNKZARCHZ-XHBSWPGZSA-N 2 0 282.378 2.826 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000163271865 378962347 /nfs/dbraw/zinc/96/23/47/378962347.db2.gz CKZUPWDRNPJIGE-MRXNPFEDSA-N 2 0 287.451 2.587 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000163279845 378964760 /nfs/dbraw/zinc/96/47/60/378964760.db2.gz OSZKJWFSYIAHFW-GDBMZVCRSA-N 2 0 274.408 2.832 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000163451859 378973112 /nfs/dbraw/zinc/97/31/12/378973112.db2.gz ASXCWAORHCLUKW-DYVFJYSZSA-N 2 0 258.409 2.981 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]CCCNc1ccccn1 ZINC000163828340 378991315 /nfs/dbraw/zinc/99/13/15/378991315.db2.gz INXWYGXFVQUKFU-KRWDZBQOSA-N 2 0 299.418 2.731 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CCCNc2ccccn2)c(C)n1 ZINC000163810591 378991707 /nfs/dbraw/zinc/99/17/07/378991707.db2.gz XCXGRJOQSWCFNF-GFCCVEGCSA-N 2 0 285.395 2.641 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000164125478 379006321 /nfs/dbraw/zinc/00/63/21/379006321.db2.gz MNEZPEUEHRBEEZ-USXIJHARSA-N 2 0 275.440 2.894 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1c(F)cccc1F)CC[NH2+]CC2 ZINC000335278694 379015340 /nfs/dbraw/zinc/01/53/40/379015340.db2.gz NGZXYYYFALHPQA-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccncc1Cl ZINC000529569572 383733213 /nfs/dbraw/zinc/73/32/13/383733213.db2.gz ODZZWNKTGSCXSD-RISCZKNCSA-N 2 0 267.804 2.507 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(F)c(F)c1)CC[NH2+]CC2 ZINC000335278646 379016404 /nfs/dbraw/zinc/01/64/04/379016404.db2.gz LEVNESYKVGEJAL-GFCCVEGCSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1c(F)cccc1F)CC[NH2+]CC2 ZINC000335278695 379016471 /nfs/dbraw/zinc/01/64/71/379016471.db2.gz NGZXYYYFALHPQA-LBPRGKRZSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc(C(N)=O)c1)CC[NH2+]CC2 ZINC000335279566 379017478 /nfs/dbraw/zinc/01/74/78/379017478.db2.gz TVWHZSZIUMHTHH-ZDUSSCGKSA-N 2 0 287.407 2.534 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3ccccc3n1C)CC[NH2+]CC2 ZINC000335282885 379024669 /nfs/dbraw/zinc/02/46/69/379024669.db2.gz XWUUGVAPUJMZAO-CQSZACIVSA-N 2 0 298.434 2.537 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000335299047 379043685 /nfs/dbraw/zinc/04/36/85/379043685.db2.gz DLEBBAUUGVYXKZ-TZMCWYRMSA-N 2 0 263.385 2.508 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000165979532 379046239 /nfs/dbraw/zinc/04/62/39/379046239.db2.gz HDFWXPMFRMWQTH-RHSMWYFYSA-N 2 0 294.439 2.703 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000679872846 542246175 /nfs/dbraw/zinc/24/61/75/542246175.db2.gz AIIYIUDAHWMSOG-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1C ZINC000166317853 379052555 /nfs/dbraw/zinc/05/25/55/379052555.db2.gz PNFYBRWIBFMUAT-RDJZCZTQSA-N 2 0 293.499 2.856 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc2cccnc12 ZINC000335333833 379109293 /nfs/dbraw/zinc/10/92/93/379109293.db2.gz HTRWYCCMTIFRIB-XJKSGUPXSA-N 2 0 269.392 2.712 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc2cccnc12 ZINC000335333831 379109509 /nfs/dbraw/zinc/10/95/09/379109509.db2.gz HTRWYCCMTIFRIB-CJNGLKHVSA-N 2 0 269.392 2.712 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1F ZINC000168749622 379093980 /nfs/dbraw/zinc/09/39/80/379093980.db2.gz OWZNXKFRHXCNGZ-QGZVFWFLSA-N 2 0 293.430 2.504 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000335339992 379121268 /nfs/dbraw/zinc/12/12/68/379121268.db2.gz ZOEZHVWXHPGTLP-UHFFFAOYSA-N 2 0 258.365 2.925 20 0 CFADRP CCc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000278762885 194144173 /nfs/dbraw/zinc/14/41/73/194144173.db2.gz NTLKRKMVKRVBNI-OKILXGFUSA-N 2 0 281.403 2.795 20 0 CFADRP COc1cc(CN2CCC[C@]3(CC[NH2+]C3)C2)ccc1C ZINC000334370076 379173269 /nfs/dbraw/zinc/17/32/69/379173269.db2.gz OHCCUYCCWAQGAZ-QGZVFWFLSA-N 2 0 274.408 2.579 20 0 CFADRP Clc1sccc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000334445479 379313718 /nfs/dbraw/zinc/31/37/18/379313718.db2.gz JJKFDSBGRSUUTP-VIFPVBQESA-N 2 0 267.785 2.772 20 0 CFADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000335481459 379376246 /nfs/dbraw/zinc/37/62/46/379376246.db2.gz SRKQZTCKQDBKSI-GOSISDBHSA-N 2 0 285.435 2.863 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1cccc3c[nH]nc31)CC[NH2+]CC2 ZINC000335542361 379482804 /nfs/dbraw/zinc/48/28/04/379482804.db2.gz AXWBUKBEHBJZLW-ZDUSSCGKSA-N 2 0 284.407 2.527 20 0 CFADRP CCc1ncc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000335543093 379483572 /nfs/dbraw/zinc/48/35/72/379483572.db2.gz IOLYJCGRBRETCZ-LBPRGKRZSA-N 2 0 279.453 2.670 20 0 CFADRP C[C@@H]1CN(CCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000334591305 379587191 /nfs/dbraw/zinc/58/71/91/379587191.db2.gz JBKQXRJVUOGDCF-YGRLFVJLSA-N 2 0 270.779 2.691 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H](C)C1 ZINC000335643586 379651779 /nfs/dbraw/zinc/65/17/79/379651779.db2.gz QIJMNFHFCZTLJJ-SEDQCKISSA-N 2 0 293.499 2.617 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(CCSC2)C1 ZINC000334651602 379710993 /nfs/dbraw/zinc/71/09/93/379710993.db2.gz BHJVHCZPXVURQL-CABCVRRESA-N 2 0 268.470 2.690 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(F)cc2)C1 ZINC000173899525 379794920 /nfs/dbraw/zinc/79/49/20/379794920.db2.gz RLJSYDIJUNWJAX-HNNXBMFYSA-N 2 0 294.414 2.868 20 0 CFADRP COC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000173915504 379800326 /nfs/dbraw/zinc/80/03/26/379800326.db2.gz RXQSTPXZXHSIGN-CQSZACIVSA-N 2 0 264.413 2.651 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)CC[N@@H+]1C ZINC000335716188 379773537 /nfs/dbraw/zinc/77/35/37/379773537.db2.gz DZZMBROAQJZSIT-OCCSQVGLSA-N 2 0 287.382 2.946 20 0 CFADRP COC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCCCC1 ZINC000335752813 379832789 /nfs/dbraw/zinc/83/27/89/379832789.db2.gz QWHZNXGFQXCUKM-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC=C(C)C1 ZINC000335769656 379859870 /nfs/dbraw/zinc/85/98/70/379859870.db2.gz MLUFMKOHFWGBJV-UHFFFAOYSA-N 2 0 268.364 2.728 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc2cccnc12 ZINC000335805214 379917891 /nfs/dbraw/zinc/91/78/91/379917891.db2.gz RSYZMMGWDAUAHZ-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP Fc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000335779503 379875518 /nfs/dbraw/zinc/87/55/18/379875518.db2.gz FKBAMUTVDMMEPP-XJKSGUPXSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000335786306 379887239 /nfs/dbraw/zinc/88/72/39/379887239.db2.gz JUIIMHNFRYRWSJ-YOEHRIQHSA-N 2 0 281.403 2.918 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000335138561 379980548 /nfs/dbraw/zinc/98/05/48/379980548.db2.gz PKSKFRIRRVAQQE-QIMFLAQGSA-N 2 0 278.371 2.681 20 0 CFADRP Cc1nc2ccccn2c1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335824203 379949706 /nfs/dbraw/zinc/94/97/06/379949706.db2.gz UENKHMJMRNYTSG-GOSISDBHSA-N 2 0 298.434 2.560 20 0 CFADRP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000334994975 379952561 /nfs/dbraw/zinc/95/25/61/379952561.db2.gz XFJMIBREBLKUKG-ZIAGYGMSSA-N 2 0 272.383 2.887 20 0 CFADRP CC1(F)CC([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335007575 379954397 /nfs/dbraw/zinc/95/43/97/379954397.db2.gz RBNRGQWXNHESQF-IXTRTVORSA-N 2 0 290.382 2.723 20 0 CFADRP CC1CC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000335033219 379958876 /nfs/dbraw/zinc/95/88/76/379958876.db2.gz PLXLMDNFMBKUIR-ITMHDFIRSA-N 2 0 272.392 2.630 20 0 CFADRP Brc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335039195 379961189 /nfs/dbraw/zinc/96/11/89/379961189.db2.gz ADLWVPCBQUPWCH-AWEZNQCLSA-N 2 0 295.224 2.778 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1[NH3+] ZINC000335857147 380003373 /nfs/dbraw/zinc/00/33/73/380003373.db2.gz BLVQFRIAYKCQJU-RDTXWAMCSA-N 2 0 281.403 2.918 20 0 CFADRP CCC[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432363142 383742056 /nfs/dbraw/zinc/74/20/56/383742056.db2.gz SPIQOCRIPQSZMZ-CABCVRRESA-N 2 0 256.434 2.513 20 0 CFADRP Cc1nccn1CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000335244371 380070316 /nfs/dbraw/zinc/07/03/16/380070316.db2.gz DGTISCKTLNTRFI-UHFFFAOYSA-N 2 0 277.412 2.615 20 0 CFADRP C[C@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@H]1[NH3+] ZINC000335899222 380072701 /nfs/dbraw/zinc/07/27/01/380072701.db2.gz RKXUGGRRZWYAHH-IINYFYTJSA-N 2 0 262.328 2.741 20 0 CFADRP Cc1cc(C)c(C[NH2+][C@H]2CCCn3nccc32)c(C)n1 ZINC000640220012 383743718 /nfs/dbraw/zinc/74/37/18/383743718.db2.gz JOVOSIJSPGOWPV-HNNXBMFYSA-N 2 0 270.380 2.828 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCC1 ZINC000261691705 284822462 /nfs/dbraw/zinc/82/24/62/284822462.db2.gz HNYNJRLLYRSZDS-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000645777807 383744054 /nfs/dbraw/zinc/74/40/54/383744054.db2.gz LRNJFKLDMXIVJH-UHFFFAOYSA-N 2 0 282.378 2.781 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177217153 380316585 /nfs/dbraw/zinc/31/65/85/380316585.db2.gz AONYKXHFOVWWSU-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC000177319771 380328519 /nfs/dbraw/zinc/32/85/19/380328519.db2.gz CCEMQRXYTLXSBP-WBVHZDCISA-N 2 0 282.472 2.638 20 0 CFADRP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCCCC1 ZINC000177319730 380328919 /nfs/dbraw/zinc/32/89/19/380328919.db2.gz CCEMQRXYTLXSBP-DOTOQJQBSA-N 2 0 282.472 2.638 20 0 CFADRP CN(Cc1cncn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000177074260 380300616 /nfs/dbraw/zinc/30/06/16/380300616.db2.gz IOTANSOGVKXNDR-UHFFFAOYSA-N 2 0 298.434 2.517 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CCCC1)CCCO2 ZINC000178309785 380435005 /nfs/dbraw/zinc/43/50/05/380435005.db2.gz NMIFQVWVBIRTCE-INIZCTEOSA-N 2 0 274.408 2.894 20 0 CFADRP CCC[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036557 380404056 /nfs/dbraw/zinc/40/40/56/380404056.db2.gz NIXUZCSVHSUWIG-KFWWJZLASA-N 2 0 256.434 2.654 20 0 CFADRP COCCC[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000178113244 380411059 /nfs/dbraw/zinc/41/10/59/380411059.db2.gz PPAZEJPSTKOTNC-OAGGEKHMSA-N 2 0 270.461 2.759 20 0 CFADRP COc1ccc(CCC[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000178960608 380496080 /nfs/dbraw/zinc/49/60/80/380496080.db2.gz OJAAWTAOGSIZLA-UHFFFAOYSA-N 2 0 276.424 2.559 20 0 CFADRP c1ccc(COC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178975432 380498399 /nfs/dbraw/zinc/49/83/99/380498399.db2.gz RIBUGSCMKOTOIP-GOSISDBHSA-N 2 0 288.435 2.525 20 0 CFADRP Cc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000180275527 380641257 /nfs/dbraw/zinc/64/12/57/380641257.db2.gz ZRMJVABQFRNUSJ-UHFFFAOYSA-N 2 0 285.391 2.989 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000179884450 380592153 /nfs/dbraw/zinc/59/21/53/380592153.db2.gz NAQJWJANTXVAKV-ZBFHGGJFSA-N 2 0 278.444 2.626 20 0 CFADRP CCSCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000336714291 380604897 /nfs/dbraw/zinc/60/48/97/380604897.db2.gz QQZBPIFGMRZHRS-UHFFFAOYSA-N 2 0 258.475 2.793 20 0 CFADRP C[C@H](CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000336811208 380671562 /nfs/dbraw/zinc/67/15/62/380671562.db2.gz LOKJGYGLXUFAIZ-WBVHZDCISA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@@H]1C ZINC000178590858 296312504 /nfs/dbraw/zinc/31/25/04/296312504.db2.gz JLTZYQMEYQATQI-IYBDPMFKSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1OC(F)F ZINC000336818527 380682271 /nfs/dbraw/zinc/68/22/71/380682271.db2.gz VXSBMXPQHPGQTP-LLVKDONJSA-N 2 0 272.339 2.895 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1 ZINC000180891520 380710483 /nfs/dbraw/zinc/71/04/83/380710483.db2.gz GKGOVWIZTYJEOE-KFWWJZLASA-N 2 0 262.397 2.526 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181238561 380761576 /nfs/dbraw/zinc/76/15/76/380761576.db2.gz RYCPRSPIXRULCE-YHUYYLMFSA-N 2 0 268.445 2.510 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181052730 380730080 /nfs/dbraw/zinc/73/00/80/380730080.db2.gz SXOSYFSNRCPUQJ-HUUCEWRRSA-N 2 0 292.423 2.536 20 0 CFADRP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181052754 380730456 /nfs/dbraw/zinc/73/04/56/380730456.db2.gz SXOSYFSNRCPUQJ-LSDHHAIUSA-N 2 0 292.423 2.536 20 0 CFADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000295343012 380800710 /nfs/dbraw/zinc/80/07/10/380800710.db2.gz BKPMKTPYNCBXRH-KRWDZBQOSA-N 2 0 297.402 2.695 20 0 CFADRP C1CC(C([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CCC2)C1 ZINC000400982175 380867353 /nfs/dbraw/zinc/86/73/53/380867353.db2.gz UWLCRXNQOYXMGC-BZUAXINKSA-N 2 0 262.441 2.933 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401030871 380869608 /nfs/dbraw/zinc/86/96/08/380869608.db2.gz WSEHYINEBQDBEW-LCGIIJARSA-N 2 0 274.408 2.734 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000295400491 380830263 /nfs/dbraw/zinc/83/02/63/380830263.db2.gz MADVUSWZZNUSGS-UHFFFAOYSA-N 2 0 290.451 2.736 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000353767545 380837583 /nfs/dbraw/zinc/83/75/83/380837583.db2.gz MLSJLUDBMFFXGO-KRWDZBQOSA-N 2 0 297.402 2.695 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000234684379 284850352 /nfs/dbraw/zinc/85/03/52/284850352.db2.gz LCLKXGFDRBRKAC-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP CCc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000287543064 380861080 /nfs/dbraw/zinc/86/10/80/380861080.db2.gz PJRXJTQHTAUKFZ-SFHVURJKSA-N 2 0 290.451 2.745 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400443340 380861418 /nfs/dbraw/zinc/86/14/18/380861418.db2.gz MZCVBPUDEPQVQF-HLLBOEOZSA-N 2 0 276.424 2.712 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000358561234 380927067 /nfs/dbraw/zinc/92/70/67/380927067.db2.gz GCEUKJYIFGLODM-BZUAXINKSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[C@@H]1CCOC1 ZINC000402128555 380883114 /nfs/dbraw/zinc/88/31/14/380883114.db2.gz GUZBRJHSWMIJFZ-BZUAXINKSA-N 2 0 268.445 2.704 20 0 CFADRP c1ccc(COC[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000347016806 380883132 /nfs/dbraw/zinc/88/31/32/380883132.db2.gz YWOHNERFFXAQJH-ROUUACIJSA-N 2 0 288.435 2.525 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000181750338 380883443 /nfs/dbraw/zinc/88/34/43/380883443.db2.gz MAASJYBNYOSTLG-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP c1ccc(C2CC([NH2+]CCC[NH+]3CCCCC3)C2)nc1 ZINC000368018590 380887543 /nfs/dbraw/zinc/88/75/43/380887543.db2.gz JXFIHYPYSXKXQE-UHFFFAOYSA-N 2 0 273.424 2.793 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000347067479 380919088 /nfs/dbraw/zinc/91/90/88/380919088.db2.gz MUGWOQLKEYVUKU-UHFFFAOYSA-N 2 0 291.439 2.529 20 0 CFADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000295574181 380950649 /nfs/dbraw/zinc/95/06/49/380950649.db2.gz AYMNZYOBRNWXGV-KRWDZBQOSA-N 2 0 297.402 2.695 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000181962357 380951399 /nfs/dbraw/zinc/95/13/99/380951399.db2.gz ANBADVOVNAMNGD-XJKSGUPXSA-N 2 0 292.398 2.971 20 0 CFADRP C[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH2+]CC1 ZINC000347121286 380953495 /nfs/dbraw/zinc/95/34/95/380953495.db2.gz ZXOOMQWEBYWBBB-UHFFFAOYSA-N 2 0 284.350 2.514 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000341349505 380957135 /nfs/dbraw/zinc/95/71/35/380957135.db2.gz NLNAMZMFWZJODD-UHFFFAOYSA-N 2 0 284.391 2.744 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000353926849 380961201 /nfs/dbraw/zinc/96/12/01/380961201.db2.gz HBSRGCMNLZDIFW-OAHLLOKOSA-N 2 0 298.471 2.820 20 0 CFADRP Cc1ccc(CCC[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000353928737 380963147 /nfs/dbraw/zinc/96/31/47/380963147.db2.gz LEEWLPYFCLUVOA-UHFFFAOYSA-N 2 0 275.440 2.788 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000353931929 380965972 /nfs/dbraw/zinc/96/59/72/380965972.db2.gz RBYJKJCQXOVMKU-DLBZAZTESA-N 2 0 273.424 2.539 20 0 CFADRP Cn1cccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368297803 380985959 /nfs/dbraw/zinc/98/59/59/380985959.db2.gz HHITYOWXBOBDIV-UHFFFAOYSA-N 2 0 298.434 2.769 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000347169995 380982853 /nfs/dbraw/zinc/98/28/53/380982853.db2.gz MTHWYCVJABQBAO-XQJDBVBESA-N 2 0 262.372 2.898 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000368291977 380983843 /nfs/dbraw/zinc/98/38/43/380983843.db2.gz SRSTXIHQRWJMEJ-LTKULKHWSA-N 2 0 288.435 2.869 20 0 CFADRP C[C@@H]1CC[C@H](C)[NH+]1CC1(C[N@H+]2[C@H](C)CC[C@@H]2C)COC1 ZINC000182229935 381032103 /nfs/dbraw/zinc/03/21/03/381032103.db2.gz DBWJWHZVSPCOMB-GEEKYZPCSA-N 2 0 280.456 2.749 20 0 CFADRP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000353969919 380989470 /nfs/dbraw/zinc/98/94/70/380989470.db2.gz AFICXHXAROFOEM-MRXNPFEDSA-N 2 0 281.488 2.713 20 0 CFADRP CC(C)(O)CC[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000368380922 381006197 /nfs/dbraw/zinc/00/61/97/381006197.db2.gz QKTXAEAYEIPRCY-UHFFFAOYSA-N 2 0 294.414 2.541 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCc2cnccc2C)C1 ZINC000289584613 381054984 /nfs/dbraw/zinc/05/49/84/381054984.db2.gz HOYXDCWUKKBHPU-KRWDZBQOSA-N 2 0 289.467 2.986 20 0 CFADRP COCC1(C)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000358755488 381059716 /nfs/dbraw/zinc/05/97/16/381059716.db2.gz VQMLMIBWKBNUOF-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@@H](C)[N@H+](CCCc1cnccc1C)CC(=O)OC ZINC000289604208 381064160 /nfs/dbraw/zinc/06/41/60/381064160.db2.gz JEWGQHOYIHHPCW-CQSZACIVSA-N 2 0 278.396 2.596 20 0 CFADRP Cc1ccncc1CCC[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000289623125 381071888 /nfs/dbraw/zinc/07/18/88/381071888.db2.gz KAXICNAYJFTVNO-UHFFFAOYSA-N 2 0 287.451 2.787 20 0 CFADRP COC1CC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000347333762 381075125 /nfs/dbraw/zinc/07/51/25/381075125.db2.gz IKSUQLYWMOLLTQ-UHFFFAOYSA-N 2 0 276.424 2.794 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000368488857 381042409 /nfs/dbraw/zinc/04/24/09/381042409.db2.gz UQMWQNLWVLQPAV-RDJZCZTQSA-N 2 0 294.483 2.924 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000354124726 381094040 /nfs/dbraw/zinc/09/40/40/381094040.db2.gz OGFVPGAOMRGHMI-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1nccn1C ZINC000182475621 381094455 /nfs/dbraw/zinc/09/44/55/381094455.db2.gz ALMRSIHXBXLIAM-DZGCQCFKSA-N 2 0 278.444 2.581 20 0 CFADRP Cc1[nH+]ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1Cl ZINC000354138008 381102097 /nfs/dbraw/zinc/10/20/97/381102097.db2.gz OZOWPDYLYDCXTC-RYUDHWBXSA-N 2 0 267.804 2.750 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000354146259 381106434 /nfs/dbraw/zinc/10/64/34/381106434.db2.gz MYDZGIQURTZOAI-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC(C)CC1)CC(C)C ZINC000341607834 381121347 /nfs/dbraw/zinc/12/13/47/381121347.db2.gz CBGCDRMZZKDGMG-INIZCTEOSA-N 2 0 296.503 2.999 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOCC(F)(F)F)C[C@H]1C ZINC000354211108 381144031 /nfs/dbraw/zinc/14/40/31/381144031.db2.gz VPOAJQZXLHEKTK-OLZOCXBDSA-N 2 0 296.377 2.760 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cn1cccn1 ZINC000347425118 381144078 /nfs/dbraw/zinc/14/40/78/381144078.db2.gz XMWYAMPJITWXEO-ULQDDVLXSA-N 2 0 292.471 2.762 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](CCCOC)CC1 ZINC000182793884 381159068 /nfs/dbraw/zinc/15/90/68/381159068.db2.gz SYINLFQXIGTAEZ-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(Br)nc1 ZINC000289732688 381125893 /nfs/dbraw/zinc/12/58/93/381125893.db2.gz LTSQRAMWCXFAFD-SNVBAGLBSA-N 2 0 298.228 2.589 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000341686478 381171781 /nfs/dbraw/zinc/17/17/81/381171781.db2.gz FWWILUPGEISRNJ-ZDUSSCGKSA-N 2 0 284.444 2.571 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1nccn1C ZINC000182961472 381191169 /nfs/dbraw/zinc/19/11/69/381191169.db2.gz AIROKPJHIHUXIS-OAHLLOKOSA-N 2 0 278.444 2.727 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000341880422 381201171 /nfs/dbraw/zinc/20/11/71/381201171.db2.gz WGOSPBCCNWEYMT-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)n1nccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000369142543 381202038 /nfs/dbraw/zinc/20/20/38/381202038.db2.gz JLEUCTUTRSQPST-MRXNPFEDSA-N 2 0 290.455 2.772 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)C1C(C)(C)C1(C)C ZINC000354332782 381208613 /nfs/dbraw/zinc/20/86/13/381208613.db2.gz WBDLZHWTMATCOV-GFCCVEGCSA-N 2 0 252.446 2.989 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)C2CCCCC2)CC1 ZINC000354423086 381256871 /nfs/dbraw/zinc/25/68/71/381256871.db2.gz PSPJYOHKMSZKSJ-OAHLLOKOSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)c1nccn1C ZINC000183365107 381262762 /nfs/dbraw/zinc/26/27/62/381262762.db2.gz LBQNREJQRHTAIN-CVEARBPZSA-N 2 0 292.471 2.829 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000347565867 381224003 /nfs/dbraw/zinc/22/40/03/381224003.db2.gz LREHKGDFFWCODL-GOSISDBHSA-N 3 0 295.515 2.915 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1)CCC1CC[NH2+]CC1 ZINC000359222088 381294542 /nfs/dbraw/zinc/29/45/42/381294542.db2.gz PQHGNNPNZLMYGH-UHFFFAOYSA-N 2 0 280.387 2.526 20 0 CFADRP C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCC2CC[NH2+]CC2)C1 ZINC000359221738 381294763 /nfs/dbraw/zinc/29/47/63/381294763.db2.gz XRQMTAHVGKOMND-WMLDXEAASA-N 2 0 282.472 2.543 20 0 CFADRP CCCC[C@@H](CC)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000183645571 381300558 /nfs/dbraw/zinc/30/05/58/381300558.db2.gz GAWCSSHGJDCCOF-QGZVFWFLSA-N 2 0 283.504 2.772 20 0 CFADRP COc1ccc(C[N@H+](C)Cc2cccc3nccn32)cc1 ZINC000183508838 381280985 /nfs/dbraw/zinc/28/09/85/381280985.db2.gz KIOOZNHRWMFFAR-UHFFFAOYSA-N 2 0 281.359 2.975 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NCc1cnc2ccc(C)cn12 ZINC000342420980 381323724 /nfs/dbraw/zinc/32/37/24/381323724.db2.gz BJCOWLBGAAHRQF-HNNXBMFYSA-N 2 0 288.439 2.853 20 0 CFADRP CCc1cc(CCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)on1 ZINC000347749767 381330452 /nfs/dbraw/zinc/33/04/52/381330452.db2.gz NGQJHOXYXSIRKP-INIZCTEOSA-N 2 0 293.455 2.976 20 0 CFADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)[C@H]1CC1(C)C ZINC000342412054 381317709 /nfs/dbraw/zinc/31/77/09/381317709.db2.gz HHGDPZMVBIHEMB-DZGCQCFKSA-N 2 0 291.439 2.546 20 0 CFADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000290142709 381318013 /nfs/dbraw/zinc/31/80/13/381318013.db2.gz CHNPODJFUDDROI-CGTJXYLNSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1cnc(CN2CCC[C@H]2CNc2cccc(C)n2)o1 ZINC000369900877 381349904 /nfs/dbraw/zinc/34/99/04/381349904.db2.gz RHXUTFPNSIVSBE-AWEZNQCLSA-N 2 0 286.379 2.763 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000347804193 381357933 /nfs/dbraw/zinc/35/79/33/381357933.db2.gz ZHPRFYVULMDTKS-BZUAXINKSA-N 2 0 282.472 2.590 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359349909 381366306 /nfs/dbraw/zinc/36/63/06/381366306.db2.gz WLKCETNDSRREJR-QWHCGFSZSA-N 2 0 252.427 2.671 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(SC)CC2)[C@@H](C)C1 ZINC000347844727 381374787 /nfs/dbraw/zinc/37/47/87/381374787.db2.gz CAHOEBIMUXPCPE-STQMWFEESA-N 2 0 256.459 2.544 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000184374125 381406471 /nfs/dbraw/zinc/40/64/71/381406471.db2.gz DNCKWJOABVUHDQ-RDJZCZTQSA-N 2 0 288.435 2.574 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1C ZINC000290390491 381409917 /nfs/dbraw/zinc/40/99/17/381409917.db2.gz ISLLPTXSYYTURK-IRXDYDNUSA-N 2 0 288.435 2.920 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]CCCC2CCCCC2)CC1 ZINC000347915079 381411566 /nfs/dbraw/zinc/41/15/66/381411566.db2.gz AEHBRIIIDAHKKB-QGZVFWFLSA-N 2 0 295.515 2.963 20 0 CFADRP CC(C)(O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000370121483 381389402 /nfs/dbraw/zinc/38/94/02/381389402.db2.gz UKFBUXQXPSYXTE-MRXNPFEDSA-N 2 0 282.472 2.735 20 0 CFADRP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000370159213 381394732 /nfs/dbraw/zinc/39/47/32/381394732.db2.gz BRVJCKGMGWTYKK-GXTWGEPZSA-N 2 0 294.468 2.607 20 0 CFADRP Cc1ccccc1CCC[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000370205256 381403673 /nfs/dbraw/zinc/40/36/73/381403673.db2.gz YRJVTBUJESIBHO-ROUUACIJSA-N 2 0 272.436 2.954 20 0 CFADRP c1c2ccccc2sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359479123 381427761 /nfs/dbraw/zinc/42/77/61/381427761.db2.gz XXKPKAKCLKIMME-BETUJISGSA-N 2 0 258.390 2.553 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000342617436 381437541 /nfs/dbraw/zinc/43/75/41/381437541.db2.gz QQUKGYKOBBUMBL-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP Cc1ccncc1CCC[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000290484730 381448016 /nfs/dbraw/zinc/44/80/16/381448016.db2.gz OGBWXPIPHAVNOL-ROUUACIJSA-N 3 0 287.451 2.739 20 0 CFADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000296608092 381471228 /nfs/dbraw/zinc/47/12/28/381471228.db2.gz YWPXMSSOPLZPOU-AWEZNQCLSA-N 2 0 291.439 2.855 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000296619413 381475519 /nfs/dbraw/zinc/47/55/19/381475519.db2.gz ZVGBGMZHMXTORG-ZDUSSCGKSA-N 2 0 289.423 2.607 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000359566462 381476710 /nfs/dbraw/zinc/47/67/10/381476710.db2.gz VQVJCENFRLBHFS-OAGGEKHMSA-N 2 0 250.430 2.983 20 0 CFADRP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c2ccccc21 ZINC000184789332 381477748 /nfs/dbraw/zinc/47/77/48/381477748.db2.gz NGJSBWPJWOQAKC-UHFFFAOYSA-N 2 0 255.365 2.765 20 0 CFADRP COCCN1CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000342689787 381480439 /nfs/dbraw/zinc/48/04/39/381480439.db2.gz OLUFXWNDLHILHS-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CCN(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000342689767 381480536 /nfs/dbraw/zinc/48/05/36/381480536.db2.gz OEMHYEHTSAJRFD-COXVUDFISA-N 2 0 276.424 2.729 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000359576763 381481905 /nfs/dbraw/zinc/48/19/05/381481905.db2.gz FUUQIDDFJTWJLA-DOTOQJQBSA-N 2 0 276.424 2.648 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000370505797 381459060 /nfs/dbraw/zinc/45/90/60/381459060.db2.gz YRCDWXSQMZLCFX-SFHVURJKSA-N 3 0 293.499 2.669 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)O1 ZINC000296587014 381460602 /nfs/dbraw/zinc/46/06/02/381460602.db2.gz XHYIZAQOJVKBTA-TYNCELHUSA-N 2 0 289.354 2.667 20 0 CFADRP C[NH+](C)CC1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000342702732 381487720 /nfs/dbraw/zinc/48/77/20/381487720.db2.gz ZKJUKNSRYQGWSS-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)COC ZINC000348311834 381499922 /nfs/dbraw/zinc/49/99/22/381499922.db2.gz JTEOGEZEFFMZBE-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000354878443 381502850 /nfs/dbraw/zinc/50/28/50/381502850.db2.gz GMYOMLQXLZVAMY-QGZVFWFLSA-N 2 0 282.472 2.732 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000296777258 381539067 /nfs/dbraw/zinc/53/90/67/381539067.db2.gz FAQATEXXDOWZMY-CQSZACIVSA-N 2 0 284.407 2.523 20 0 CFADRP CCc1nc(C)cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000342792353 381543431 /nfs/dbraw/zinc/54/34/31/381543431.db2.gz WAJKEEOJBWSCNG-HNNXBMFYSA-N 2 0 288.439 2.516 20 0 CFADRP C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)CC1CC[NH2+]CC1 ZINC000296736378 381524993 /nfs/dbraw/zinc/52/49/93/381524993.db2.gz CREPWMQGSPUJLY-UHFFFAOYSA-N 2 0 284.407 2.508 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)[C@H](C)C1 ZINC000348403358 381551766 /nfs/dbraw/zinc/55/17/66/381551766.db2.gz LRTVQWWBUMIAJS-FPCVCCKLSA-N 2 0 286.435 2.604 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000348366473 381535358 /nfs/dbraw/zinc/53/53/58/381535358.db2.gz BOFYMTLDSUBGSO-YYIAUSFCSA-N 2 0 294.483 2.779 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1(C)C ZINC000355035242 381575616 /nfs/dbraw/zinc/57/56/16/381575616.db2.gz HYRMNLMPZSDAGO-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298081891 381577871 /nfs/dbraw/zinc/57/78/71/381577871.db2.gz LXMXSXHESUXSQE-OAHLLOKOSA-N 2 0 259.397 2.829 20 0 CFADRP CCN(CC)CC[N@H+](CC(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414697334 381600277 /nfs/dbraw/zinc/60/02/77/381600277.db2.gz GVYZQUMQFUYVBX-SJORKVTESA-N 2 0 283.504 2.674 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000414691136 381601086 /nfs/dbraw/zinc/60/10/86/381601086.db2.gz OHMDGSDVWGIKOV-ROUUACIJSA-N 2 0 295.515 2.804 20 0 CFADRP FC(F)O[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000348523061 381607912 /nfs/dbraw/zinc/60/79/12/381607912.db2.gz BKFARTMGIAPONW-QWHCGFSZSA-N 2 0 276.371 2.612 20 0 CFADRP COCC[N@H+](CCc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414715059 381602846 /nfs/dbraw/zinc/60/28/46/381602846.db2.gz XBWNZWKWMGUPEL-WMZOPIPTSA-N 2 0 290.451 2.566 20 0 CFADRP CC(C)[NH+](CCNC(=O)CC1(C[NH3+])CCCCC1)C(C)C ZINC000185336962 381604052 /nfs/dbraw/zinc/60/40/52/381604052.db2.gz MZJXPYZPLVSACI-UHFFFAOYSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414782095 381605744 /nfs/dbraw/zinc/60/57/44/381605744.db2.gz WXZPLAVVJXOIMZ-XBVQOTNRSA-N 2 0 280.456 2.641 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414810613 381606736 /nfs/dbraw/zinc/60/67/36/381606736.db2.gz VKBIWTKSXGNLKK-MAUKXSAKSA-N 2 0 298.434 2.788 20 0 CFADRP COC1(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000359748760 381592997 /nfs/dbraw/zinc/59/29/97/381592997.db2.gz OFUAODLRQSETDR-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414884353 381609034 /nfs/dbraw/zinc/60/90/34/381609034.db2.gz NSVPUHRHVFLFER-MRVPVSSYSA-N 2 0 264.266 2.671 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000414872890 381610400 /nfs/dbraw/zinc/61/04/00/381610400.db2.gz GMRXXHPKDOPVAO-DJIMGWMZSA-N 2 0 260.425 2.972 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414926181 381616293 /nfs/dbraw/zinc/61/62/93/381616293.db2.gz MVLZCQOWFKSHTD-QWHCGFSZSA-N 2 0 250.411 2.768 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414929051 381618851 /nfs/dbraw/zinc/61/88/51/381618851.db2.gz NJQBSYNLCRGSGD-SRCQZFHVSA-N 2 0 273.424 2.766 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1-c1ccccc1 ZINC000414931319 381622035 /nfs/dbraw/zinc/62/20/35/381622035.db2.gz ULPRYYBKPFIBLQ-HUUCEWRRSA-N 2 0 284.407 2.540 20 0 CFADRP CCSc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414936321 381627994 /nfs/dbraw/zinc/62/79/94/381627994.db2.gz GUWKFAAAVMVRFP-IUODEOHRSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414945107 381636187 /nfs/dbraw/zinc/63/61/87/381636187.db2.gz HWCMYAWNJOWTCU-XJKCOSOUSA-N 2 0 264.388 2.877 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414944903 381636766 /nfs/dbraw/zinc/63/67/66/381636766.db2.gz QRAMYRJQHUBMHC-ZQIUZPCESA-N 2 0 276.424 2.604 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(-c2nccn2C)c1)C1CC1 ZINC000371447002 381630171 /nfs/dbraw/zinc/63/01/71/381630171.db2.gz IHXPGBMNWDIRPX-GFCCVEGCSA-N 2 0 255.365 2.975 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414944078 381633913 /nfs/dbraw/zinc/63/39/13/381633913.db2.gz NFULOPQURGHVBC-HLLBOEOZSA-N 2 0 276.424 2.537 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000371517823 381649423 /nfs/dbraw/zinc/64/94/23/381649423.db2.gz FZYHLJBAFMTAKR-FGTMMUONSA-N 2 0 288.435 2.694 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414947608 381638506 /nfs/dbraw/zinc/63/85/06/381638506.db2.gz KXMXYLOUWZKMCE-ZFWWWQNUSA-N 2 0 262.397 2.706 20 0 CFADRP CC1([NH2+]Cc2cccc(OC(F)(F)F)c2)CC[NH2+]CC1 ZINC000414946648 381639014 /nfs/dbraw/zinc/63/90/14/381639014.db2.gz UNUQRMCNLINQIG-UHFFFAOYSA-N 2 0 288.313 2.817 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000414947793 381639085 /nfs/dbraw/zinc/63/90/85/381639085.db2.gz WWXARRZFFSJCMH-UKRRQHHQSA-N 2 0 264.438 2.507 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414947602 381639640 /nfs/dbraw/zinc/63/96/40/381639640.db2.gz KXMXYLOUWZKMCE-DZGCQCFKSA-N 2 0 262.397 2.706 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000371480552 381640770 /nfs/dbraw/zinc/64/07/70/381640770.db2.gz PCTJROSUZGRWFG-DDBAPUKQSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414949259 381641200 /nfs/dbraw/zinc/64/12/00/381641200.db2.gz NJDCWXOPOLHHTH-ATLSCFEFSA-N 2 0 287.451 2.552 20 0 CFADRP Cc1ncc(CN2CC[C@@H]([NH2+]C(C)C)[C@H](C)C2)s1 ZINC000371509007 381646670 /nfs/dbraw/zinc/64/66/70/381646670.db2.gz NBHOMBZREMWTSN-BXUZGUMPSA-N 2 0 267.442 2.660 20 0 CFADRP Fc1cc(F)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1F ZINC000414964674 381661909 /nfs/dbraw/zinc/66/19/09/381661909.db2.gz DZNNWHIYMHTQGE-NSHDSACASA-N 2 0 272.314 2.726 20 0 CFADRP c1cc(CCC[NH2+]CCC[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000414966234 381662018 /nfs/dbraw/zinc/66/20/18/381662018.db2.gz OHPOVVNEHJRGIJ-QGZVFWFLSA-N 2 0 288.435 2.676 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000355186155 381662601 /nfs/dbraw/zinc/66/26/01/381662601.db2.gz ZJOOFSRQNLDNHT-ZWKOTPCHSA-N 2 0 288.435 2.525 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CC2CCCC2)CC[NH2+]CC1 ZINC000414972286 381667672 /nfs/dbraw/zinc/66/76/72/381667672.db2.gz JTAHBKHKYPNWPE-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414971433 381668202 /nfs/dbraw/zinc/66/82/02/381668202.db2.gz LFRYZTMFIMCOPU-INIZCTEOSA-N 2 0 269.392 2.857 20 0 CFADRP CO[C@@]1(C)CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000355195319 381668470 /nfs/dbraw/zinc/66/84/70/381668470.db2.gz GODRANCFMZTNFS-INIZCTEOSA-N 2 0 262.397 2.824 20 0 CFADRP CC[C@H]([NH3+])CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414974529 381669447 /nfs/dbraw/zinc/66/94/47/381669447.db2.gz DRUJOGZKOJDAEU-HNNXBMFYSA-N 2 0 295.858 2.631 20 0 CFADRP c1nc([C@@H]2CCCO2)sc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414974678 381669779 /nfs/dbraw/zinc/66/97/79/381669779.db2.gz NWSMZNSUKOLCCZ-JSGCOSHPSA-N 2 0 295.452 2.616 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414976375 381670961 /nfs/dbraw/zinc/67/09/61/381670961.db2.gz PRSVYZAWVQWCOV-CYBMUJFWSA-N 2 0 284.350 2.766 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414976353 381670981 /nfs/dbraw/zinc/67/09/81/381670981.db2.gz PQAZXUKVJHUHJR-ZDUSSCGKSA-N 2 0 284.350 2.910 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C2CC(C(F)(F)F)C2)CC1 ZINC000348699455 381672586 /nfs/dbraw/zinc/67/25/86/381672586.db2.gz OJTFNHCPPUINBV-UHFFFAOYSA-N 2 0 264.335 2.790 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000414957988 381652154 /nfs/dbraw/zinc/65/21/54/381652154.db2.gz CHPVVMGHAIILAV-WMLDXEAASA-N 2 0 275.440 2.978 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000415014791 381708546 /nfs/dbraw/zinc/70/85/46/381708546.db2.gz XMHKZDILHCRKSL-MXWKQRLJSA-N 2 0 285.229 2.878 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371833989 381708536 /nfs/dbraw/zinc/70/85/36/381708536.db2.gz GFACWCBTJOGPHN-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@H](C[NH2+]C(C)(C)CCC[NH3+])CC1CCOCC1 ZINC000415014222 381708637 /nfs/dbraw/zinc/70/86/37/381708637.db2.gz LQWMOPUSNCVZMR-ZDUSSCGKSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415016583 381709483 /nfs/dbraw/zinc/70/94/83/381709483.db2.gz PXSBPLVILLPSCB-LLVKDONJSA-N 2 0 272.339 2.895 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000415018067 381711127 /nfs/dbraw/zinc/71/11/27/381711127.db2.gz GFWHSLHIDBPGJY-ZIAGYGMSSA-N 2 0 264.413 2.733 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000415018251 381711428 /nfs/dbraw/zinc/71/14/28/381711428.db2.gz UEWXZXCBPMAMQZ-ZDUSSCGKSA-N 2 0 290.386 2.619 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000291219520 381711537 /nfs/dbraw/zinc/71/15/37/381711537.db2.gz NIFWBDAKEYSYGY-CJNGLKHVSA-N 2 0 274.408 2.701 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415018401 381712988 /nfs/dbraw/zinc/71/29/88/381712988.db2.gz BPQNEUQQOFMCNH-JYJNAYRXSA-N 2 0 290.451 2.981 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415019625 381713077 /nfs/dbraw/zinc/71/30/77/381713077.db2.gz SCGMOKYOSLPRAB-SRVKXCTJSA-N 2 0 252.427 2.665 20 0 CFADRP Cc1ccc(F)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415019167 381713235 /nfs/dbraw/zinc/71/32/35/381713235.db2.gz DKBTZFPNKDQEMB-HDJSIYSDSA-N 2 0 264.388 2.989 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000415022124 381715097 /nfs/dbraw/zinc/71/50/97/381715097.db2.gz VGAJJZWFLIPFLM-IJLUTSLNSA-N 2 0 286.366 2.934 20 0 CFADRP CCN(CC)c1ncc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000414981505 381674863 /nfs/dbraw/zinc/67/48/63/381674863.db2.gz XVQVUGLXFKYCKQ-CYBMUJFWSA-N 2 0 296.484 2.611 20 0 CFADRP COc1ccc(C[N@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000050953111 412952467 /nfs/dbraw/zinc/95/24/67/412952467.db2.gz RNIVIBMPVOVLRL-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000414986354 381679558 /nfs/dbraw/zinc/67/95/58/381679558.db2.gz CASYEADFMFCAHW-SWLSCSKDSA-N 2 0 285.391 2.548 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414987893 381681775 /nfs/dbraw/zinc/68/17/75/381681775.db2.gz FDPSADXPPJGLEN-DGCLKSJQSA-N 2 0 284.350 2.895 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CC=CCC1 ZINC000355213983 381681978 /nfs/dbraw/zinc/68/19/78/381681978.db2.gz RYCQPPRWAISQQJ-YLFCFFPRSA-N 2 0 278.440 2.526 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000414989480 381683470 /nfs/dbraw/zinc/68/34/70/381683470.db2.gz HAYGKJHWWORUGK-UKRRQHHQSA-N 2 0 285.391 2.949 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000414991046 381685069 /nfs/dbraw/zinc/68/50/69/381685069.db2.gz PYUJCAPKDPSCNF-SOUVJXGZSA-N 2 0 250.361 2.789 20 0 CFADRP COc1ccc(C)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000355218331 381687211 /nfs/dbraw/zinc/68/72/11/381687211.db2.gz HSHVOBNMFULTJD-NVXWUHKLSA-N 2 0 288.435 2.920 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC000414995336 381687723 /nfs/dbraw/zinc/68/77/23/381687723.db2.gz FGZPPCOWOFLIAX-BPUTZDHNSA-N 2 0 288.435 2.660 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000414997003 381690055 /nfs/dbraw/zinc/69/00/55/381690055.db2.gz GZSFTEKMLYTUTA-ILXRZTDVSA-N 2 0 278.444 2.502 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415001008 381692765 /nfs/dbraw/zinc/69/27/65/381692765.db2.gz BXKPINZMGIQNBN-UONOGXRCSA-N 2 0 250.411 2.534 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000415001144 381693207 /nfs/dbraw/zinc/69/32/07/381693207.db2.gz KPRYOLCZMNVWRN-OCCSQVGLSA-N 2 0 280.387 2.832 20 0 CFADRP CSCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673015 381702290 /nfs/dbraw/zinc/70/22/90/381702290.db2.gz RMWMWRRGWZYTJR-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000415009472 381702762 /nfs/dbraw/zinc/70/27/62/381702762.db2.gz UDKXLVAHXNWJAH-BDAKNGLRSA-N 2 0 293.358 2.769 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000415008092 381703120 /nfs/dbraw/zinc/70/31/20/381703120.db2.gz MJDJLWPZMVGPFK-GOEBONIOSA-N 2 0 292.398 2.702 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415010544 381704050 /nfs/dbraw/zinc/70/40/50/381704050.db2.gz VEWBUAOXBAMKSY-MXWKQRLJSA-N 2 0 252.324 2.825 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000415011622 381704699 /nfs/dbraw/zinc/70/46/99/381704699.db2.gz QXVWQJXGSHWPPG-GOEBONIOSA-N 2 0 262.372 2.612 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c(Cl)c1 ZINC000415010157 381704747 /nfs/dbraw/zinc/70/47/47/381704747.db2.gz GOLSJBVGHNEZFB-SDDRHHMPSA-N 2 0 297.830 2.691 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415010395 381705137 /nfs/dbraw/zinc/70/51/37/381705137.db2.gz GJTAOEDJYYJEKP-OLZOCXBDSA-N 2 0 295.402 2.650 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415010658 381705250 /nfs/dbraw/zinc/70/52/50/381705250.db2.gz PQTGNGCQAHZGQN-ZWKOTPCHSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000415012971 381706238 /nfs/dbraw/zinc/70/62/38/381706238.db2.gz KDAVGQXPNYTKKS-LBPRGKRZSA-N 2 0 290.436 2.812 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCOc2ccccc21 ZINC000415012181 381706572 /nfs/dbraw/zinc/70/65/72/381706572.db2.gz IWZWAGWPJGYNKU-ZIAGYGMSSA-N 2 0 262.397 2.660 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000415012080 381706912 /nfs/dbraw/zinc/70/69/12/381706912.db2.gz IJKDUNRYJOSDNM-LBPRGKRZSA-N 2 0 273.380 2.548 20 0 CFADRP CC(C)OC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695602 381707745 /nfs/dbraw/zinc/70/77/45/381707745.db2.gz LMHCFLUGKIBDSM-LSDHHAIUSA-N 2 0 296.455 2.571 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000415041134 381728237 /nfs/dbraw/zinc/72/82/37/381728237.db2.gz POVFYZPBNPJKEI-PSASIEDQSA-N 2 0 289.242 2.728 20 0 CFADRP CCC[C@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415042261 381730670 /nfs/dbraw/zinc/73/06/70/381730670.db2.gz QKVMHWADPIRLPK-IAGOWNOFSA-N 2 0 276.424 2.538 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000415041560 381731211 /nfs/dbraw/zinc/73/12/11/381731211.db2.gz PYZRSWXOCMNVRU-ZANVPECISA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000415045260 381733399 /nfs/dbraw/zinc/73/33/99/381733399.db2.gz BHPJGCHJTCMCFA-MRXNPFEDSA-N 2 0 255.365 2.651 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](CCc2ccccc2)C(F)F)C1 ZINC000415048664 381734983 /nfs/dbraw/zinc/73/49/83/381734983.db2.gz XBFRSRLOOZPYPP-RBSFLKMASA-N 2 0 282.378 2.970 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000360024074 381735160 /nfs/dbraw/zinc/73/51/60/381735160.db2.gz NCXOTLYKUUPPGK-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP CCN1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415054484 381740077 /nfs/dbraw/zinc/74/00/77/381740077.db2.gz NNOYWUPPGZOIET-KRWDZBQOSA-N 2 0 275.440 2.541 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415055718 381740308 /nfs/dbraw/zinc/74/03/08/381740308.db2.gz RIUZEFILAKKZJF-DLBZAZTESA-N 2 0 286.419 2.586 20 0 CFADRP CCC1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000415057111 381742674 /nfs/dbraw/zinc/74/26/74/381742674.db2.gz QTUSCTIBBVOIGQ-UHFFFAOYSA-N 2 0 293.499 2.761 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@@]1(C)C[NH3+] ZINC000415058719 381744134 /nfs/dbraw/zinc/74/41/34/381744134.db2.gz WNFPSFNYMGOPMM-IAQYHMDHSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](C)C1 ZINC000415061179 381747805 /nfs/dbraw/zinc/74/78/05/381747805.db2.gz YCYGPQUMEPBAIC-IUGQGLEPSA-N 2 0 293.499 2.617 20 0 CFADRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+](C(C)C)CC1 ZINC000415073488 381759325 /nfs/dbraw/zinc/75/93/25/381759325.db2.gz ZHVYPLSLVIRVDP-GOSISDBHSA-N 2 0 289.467 2.711 20 0 CFADRP c1ccc(OCCCC[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415066020 381751656 /nfs/dbraw/zinc/75/16/56/381751656.db2.gz AGFXFBKTSNOLNJ-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC[NH2+]C2CC2)CC1 ZINC000415067881 381753280 /nfs/dbraw/zinc/75/32/80/381753280.db2.gz LNCTZRABCQUOLQ-CRAIPNDOSA-N 2 0 293.499 2.761 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000415025960 381718392 /nfs/dbraw/zinc/71/83/92/381718392.db2.gz SGDZHCYDYJNBLS-CYBMUJFWSA-N 2 0 280.412 2.701 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000415025857 381718474 /nfs/dbraw/zinc/71/84/74/381718474.db2.gz RJBXBIKMYAQELJ-WKILWMFISA-N 2 0 298.434 2.727 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1OCC ZINC000415027650 381720108 /nfs/dbraw/zinc/72/01/08/381720108.db2.gz WVONYEJIDOOLGQ-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000415027407 381720228 /nfs/dbraw/zinc/72/02/28/381720228.db2.gz WQIHVOLSOLSRAF-NEPJUHHUSA-N 2 0 297.830 2.774 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)cc2s1 ZINC000415028417 381721170 /nfs/dbraw/zinc/72/11/70/381721170.db2.gz CTBCPDOUDSBJEI-AAEUAGOBSA-N 2 0 275.421 2.822 20 0 CFADRP CCSCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743895 381721224 /nfs/dbraw/zinc/72/12/24/381721224.db2.gz HRRVCBQMTIXNCR-UONOGXRCSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000415029009 381721333 /nfs/dbraw/zinc/72/13/33/381721333.db2.gz ZRRUCLQOPIJWIF-JSGCOSHPSA-N 2 0 270.367 2.970 20 0 CFADRP CC(C)C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415031013 381723428 /nfs/dbraw/zinc/72/34/28/381723428.db2.gz DKAPKHVVSILUDJ-ZWKOTPCHSA-N 2 0 290.451 2.784 20 0 CFADRP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035816 381724370 /nfs/dbraw/zinc/72/43/70/381724370.db2.gz KZVCDRABFKMNOQ-QZPUYBJASA-N 2 0 276.811 2.784 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415034777 381724711 /nfs/dbraw/zinc/72/47/11/381724711.db2.gz DBUKTCJRNUHZFX-MSOLQXFVSA-N 2 0 287.451 2.787 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC(C)(C)O)CC2)C1 ZINC000360011391 381726738 /nfs/dbraw/zinc/72/67/38/381726738.db2.gz NMAVFPQIEXSYNO-GDBMZVCRSA-N 2 0 282.472 2.780 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000415036588 381726701 /nfs/dbraw/zinc/72/67/01/381726701.db2.gz LPVNJQBXFMMKSY-KOLCDFICSA-N 2 0 256.752 2.696 20 0 CFADRP CSc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415102282 381783692 /nfs/dbraw/zinc/78/36/92/381783692.db2.gz IOPRMFVOIRCQAQ-TZMCWYRMSA-N 2 0 264.438 2.886 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000415111291 381786996 /nfs/dbraw/zinc/78/69/96/381786996.db2.gz UHJQULRCFKCAKG-LSDHHAIUSA-N 2 0 270.461 2.527 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415114437 381788349 /nfs/dbraw/zinc/78/83/49/381788349.db2.gz SQDKBPMUVMRXCU-INMHGKMJSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000415119808 381790202 /nfs/dbraw/zinc/79/02/02/381790202.db2.gz XLBHAHWTBUORSO-NSHDSACASA-N 2 0 268.351 2.658 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cs1 ZINC000415118425 381791209 /nfs/dbraw/zinc/79/12/09/381791209.db2.gz WNHMAXMVCCRERZ-QWHCGFSZSA-N 2 0 281.469 2.929 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000415121984 381792061 /nfs/dbraw/zinc/79/20/61/381792061.db2.gz HXEFRYBYSJOCME-LRDDRELGSA-N 2 0 276.424 2.729 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415122447 381792211 /nfs/dbraw/zinc/79/22/11/381792211.db2.gz IGGIKMXOOJQDCA-ZBFHGGJFSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000415122312 381792943 /nfs/dbraw/zinc/79/29/43/381792943.db2.gz IBUKPWOZPYGRSJ-DGCLKSJQSA-N 2 0 284.350 2.705 20 0 CFADRP Cc1ccc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000415122981 381794261 /nfs/dbraw/zinc/79/42/61/381794261.db2.gz OVPIVQDIOCQWMH-HOCLYGCPSA-N 2 0 275.440 2.999 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415123369 381795563 /nfs/dbraw/zinc/79/55/63/381795563.db2.gz JKKVIZRVEAWXTR-CJNGLKHVSA-N 2 0 276.424 2.674 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000415129722 381796366 /nfs/dbraw/zinc/79/63/66/381796366.db2.gz PMUWMKYSIQPJHJ-GZBFAFLISA-N 2 0 264.388 2.846 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000360969656 381797093 /nfs/dbraw/zinc/79/70/93/381797093.db2.gz JGXLAENYZXRUPO-CQSZACIVSA-N 2 0 252.427 2.564 20 0 CFADRP CCC[C@@H](C)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415131195 381798503 /nfs/dbraw/zinc/79/85/03/381798503.db2.gz YSNRZTUEONEIAF-IVMMDQJWSA-N 2 0 264.388 2.988 20 0 CFADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC000355361621 381762673 /nfs/dbraw/zinc/76/26/73/381762673.db2.gz DYQIPWMENSSTFZ-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415076641 381763596 /nfs/dbraw/zinc/76/35/96/381763596.db2.gz SBNOBZDDPUHHNS-CZUORRHYSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CCOc1cccc(Cl)c1 ZINC000415079133 381765297 /nfs/dbraw/zinc/76/52/97/381765297.db2.gz HIIARNAPLUAYAE-OCCSQVGLSA-N 2 0 282.815 2.839 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)c1c(C)noc1C ZINC000415082706 381767186 /nfs/dbraw/zinc/76/71/86/381767186.db2.gz DTSXTLSSLDWOMW-BPNCWPANSA-N 2 0 265.401 2.720 20 0 CFADRP CC[C@@H](C[NH2+]C[C@H]1CCC[NH2+]C1)Oc1ccccc1C ZINC000415081708 381767446 /nfs/dbraw/zinc/76/74/46/381767446.db2.gz NFATYFJFQAZDSN-HOTGVXAUSA-N 2 0 276.424 2.742 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)ccc1OC ZINC000415083095 381767957 /nfs/dbraw/zinc/76/79/57/381767957.db2.gz FFCGSORSAHJTMZ-UKRRQHHQSA-N 2 0 292.423 2.714 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1OC ZINC000415083096 381768430 /nfs/dbraw/zinc/76/84/30/381768430.db2.gz FFCGSORSAHJTMZ-ZFWWWQNUSA-N 2 0 292.423 2.714 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000415084670 381769201 /nfs/dbraw/zinc/76/92/01/381769201.db2.gz HHNZTMBTANGPFE-HMDCTGQHSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1ccccc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185891400 381769698 /nfs/dbraw/zinc/76/96/98/381769698.db2.gz MGONALSSPBISSM-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1COc2ccccc21 ZINC000415086230 381770832 /nfs/dbraw/zinc/77/08/32/381770832.db2.gz RUCYEFMXXOYYRZ-IXYNUQLISA-N 2 0 274.408 2.529 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000415085031 381771761 /nfs/dbraw/zinc/77/17/61/381771761.db2.gz QAKMDGXJTKEZME-WCVJEAGWSA-N 2 0 282.472 2.948 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000415086646 381772799 /nfs/dbraw/zinc/77/27/99/381772799.db2.gz SIOWGSNDANUGPK-APHBMKBZSA-N 2 0 280.387 2.633 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415088262 381773457 /nfs/dbraw/zinc/77/34/57/381773457.db2.gz WAEYULSXALAEMJ-NVXWUHKLSA-N 2 0 298.434 2.535 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415087345 381773509 /nfs/dbraw/zinc/77/35/09/381773509.db2.gz SVHPJIPSEFVCFD-AWEZNQCLSA-N 2 0 264.438 2.949 20 0 CFADRP CC[C@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)Oc1ccccc1C ZINC000415087611 381773634 /nfs/dbraw/zinc/77/36/34/381773634.db2.gz WFCBDWGZWPZLTI-WBVHZDCISA-N 2 0 276.424 2.742 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000415088674 381775903 /nfs/dbraw/zinc/77/59/03/381775903.db2.gz WQWHRZFVAICPSH-ILXRZTDVSA-N 2 0 270.461 2.791 20 0 CFADRP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]1C[NH3+] ZINC000415136554 381801069 /nfs/dbraw/zinc/80/10/69/381801069.db2.gz XFZUSMYYSTZPJF-RYUDHWBXSA-N 2 0 290.436 2.555 20 0 CFADRP CCSCC[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000355752462 381801070 /nfs/dbraw/zinc/80/10/70/381801070.db2.gz OCODRSGLNXXYQS-AWEZNQCLSA-N 2 0 258.475 2.984 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000415136854 381803275 /nfs/dbraw/zinc/80/32/75/381803275.db2.gz HZVIAEDCZNOPEC-KBMXLJTQSA-N 2 0 291.414 2.525 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@H]1CCCOC1 ZINC000356870552 381875464 /nfs/dbraw/zinc/87/54/64/381875464.db2.gz OCGBCLIVVGRBBR-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](CCC1CC1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186301194 381878101 /nfs/dbraw/zinc/87/81/01/381878101.db2.gz KJPONXDAGBDFGT-OAHLLOKOSA-N 2 0 293.499 2.713 20 0 CFADRP CCc1cc(OC)ccc1CN1CC[NH+]2CCC1CC2 ZINC000349303911 381883201 /nfs/dbraw/zinc/88/32/01/381883201.db2.gz ZNQNNWODWJHYLH-UHFFFAOYSA-N 2 0 274.408 2.538 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000292820675 381850356 /nfs/dbraw/zinc/85/03/56/381850356.db2.gz PXSNGCVSMLSZAR-CQSZACIVSA-N 2 0 250.411 2.584 20 0 CFADRP CC(C)CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372686567 381852160 /nfs/dbraw/zinc/85/21/60/381852160.db2.gz XZDJRKXYWAMHDK-QGZVFWFLSA-N 2 0 281.488 2.523 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(O)cc(F)c1 ZINC000186242643 381862421 /nfs/dbraw/zinc/86/24/21/381862421.db2.gz CKSCADMTGZXKGU-OAHLLOKOSA-N 2 0 280.387 2.838 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(O)cc(F)c2)[C@H](C)C1 ZINC000186240806 381862559 /nfs/dbraw/zinc/86/25/59/381862559.db2.gz PWEDIWQMXRWIDA-MLGOLLRUSA-N 2 0 280.387 2.693 20 0 CFADRP Cc1cnn(CCCCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372949624 381896094 /nfs/dbraw/zinc/89/60/94/381896094.db2.gz CSDZIIPEXBSVHC-KRWDZBQOSA-N 2 0 292.471 2.778 20 0 CFADRP Cc1cccc(OCC[N@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373116154 381930230 /nfs/dbraw/zinc/93/02/30/381930230.db2.gz SCLJAAOAUULESS-MRXNPFEDSA-N 2 0 299.418 2.987 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)Cc1cccc2cc[nH]c21 ZINC000349380887 381918086 /nfs/dbraw/zinc/91/80/86/381918086.db2.gz FVQSJSHSKAEENL-UHFFFAOYSA-N 2 0 259.397 2.942 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCO1)[C@@H](c1ccccc1)N(C)C ZINC000349383493 381919660 /nfs/dbraw/zinc/91/96/60/381919660.db2.gz VAQMOZQWIUIKAG-ABFRBSLYSA-N 2 0 276.424 2.835 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000186592059 381958213 /nfs/dbraw/zinc/95/82/13/381958213.db2.gz MVHGJCFKUQDVLN-LSDHHAIUSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000186592037 381958824 /nfs/dbraw/zinc/95/88/24/381958824.db2.gz MVHGJCFKUQDVLN-CABCVRRESA-N 2 0 293.430 2.502 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186605259 381962048 /nfs/dbraw/zinc/96/20/48/381962048.db2.gz OEPJMIDOZAEYLC-HIFRSBDPSA-N 2 0 295.496 2.733 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000186605222 381962275 /nfs/dbraw/zinc/96/22/75/381962275.db2.gz OEPJMIDOZAEYLC-ZFWWWQNUSA-N 2 0 295.496 2.733 20 0 CFADRP C=Cn1cc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000373202287 381947652 /nfs/dbraw/zinc/94/76/52/381947652.db2.gz HOOULBGEYVELJQ-ZWKOTPCHSA-N 2 0 296.418 2.766 20 0 CFADRP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1nc3ccccc3o1)C2 ZINC000373203518 381948306 /nfs/dbraw/zinc/94/83/06/381948306.db2.gz QESRFIMYUDMNNY-STQMWFEESA-N 2 0 296.374 2.998 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000186565236 381950713 /nfs/dbraw/zinc/95/07/13/381950713.db2.gz GAVNRRWDJUMVMO-CABCVRRESA-N 2 0 293.430 2.502 20 0 CFADRP CCCC(CCC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186583711 381954431 /nfs/dbraw/zinc/95/44/31/381954431.db2.gz PWGJIJBSQHHLEJ-HNNXBMFYSA-N 2 0 269.477 2.571 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000349974368 382002841 /nfs/dbraw/zinc/00/28/41/382002841.db2.gz WTDDNEYSZPRTAW-NXHRZFHOSA-N 2 0 294.483 2.855 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000357091633 382005078 /nfs/dbraw/zinc/00/50/78/382005078.db2.gz SVNGESFSKIXQJH-LJQANCHMSA-N 2 0 296.414 2.609 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc2cccnc12 ZINC000357110552 382012405 /nfs/dbraw/zinc/01/24/05/382012405.db2.gz ZJODDJNUZZOGHU-IAGOWNOFSA-N 2 0 281.403 2.585 20 0 CFADRP c1nc(C2CC2)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357043417 381984635 /nfs/dbraw/zinc/98/46/35/381984635.db2.gz GBJWGEMJWGXNBK-AWEZNQCLSA-N 2 0 291.464 2.842 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CC3)[C@H](C)C1 ZINC000417332267 382043562 /nfs/dbraw/zinc/04/35/62/382043562.db2.gz DARKXXKGMGXBIM-OAGGEKHMSA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343975813 382044244 /nfs/dbraw/zinc/04/42/44/382044244.db2.gz HBYZZDBBEROZPY-UONOGXRCSA-N 2 0 279.428 2.546 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CO)CC2CCCCC2)CC1 ZINC000417358710 382056093 /nfs/dbraw/zinc/05/60/93/382056093.db2.gz FUIXHQFCJYYLDC-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000351701067 382056833 /nfs/dbraw/zinc/05/68/33/382056833.db2.gz VBSSKZCZNPIBFV-DLBZAZTESA-N 2 0 282.472 2.732 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000300004118 382057027 /nfs/dbraw/zinc/05/70/27/382057027.db2.gz TWTTUNLUAXWERK-HUUCEWRRSA-N 2 0 268.445 2.783 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351723214 382058715 /nfs/dbraw/zinc/05/87/15/382058715.db2.gz YGGOSQXCHHSXKF-BFHYXJOUSA-N 2 0 256.409 2.977 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000375107645 382067255 /nfs/dbraw/zinc/06/72/55/382067255.db2.gz DNOLSJAIYKCKSH-IRXDYDNUSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1sccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000293187467 382022635 /nfs/dbraw/zinc/02/26/35/382022635.db2.gz HSIAHVHZISXADE-CVEARBPZSA-N 2 0 294.464 2.524 20 0 CFADRP C[C@H](c1ccccc1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013564 382067826 /nfs/dbraw/zinc/06/78/26/382067826.db2.gz CGJICORXTCISBY-OAHLLOKOSA-N 2 0 295.446 2.702 20 0 CFADRP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373744595 382026662 /nfs/dbraw/zinc/02/66/62/382026662.db2.gz JGWVOEASHBDJNQ-OAHLLOKOSA-N 2 0 280.460 2.650 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000417304347 382035270 /nfs/dbraw/zinc/03/52/70/382035270.db2.gz FGJTXIOFZPUZQW-IAGOWNOFSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCOCC[NH+](C)C ZINC000351505141 382040380 /nfs/dbraw/zinc/04/03/80/382040380.db2.gz ZVFDVEQCVYHTTO-ZBFHGGJFSA-N 2 0 276.424 2.711 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000375844694 382106451 /nfs/dbraw/zinc/10/64/51/382106451.db2.gz WQARKUDEZZGEHO-HOCLYGCPSA-N 2 0 280.456 2.534 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375853872 382107448 /nfs/dbraw/zinc/10/74/48/382107448.db2.gz RILNSMOTMWQZCS-JZXOWHBKSA-N 2 0 287.451 2.715 20 0 CFADRP Cc1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)ncn1 ZINC000301235335 382114323 /nfs/dbraw/zinc/11/43/23/382114323.db2.gz KAAYRKNHKIEDGS-CYBMUJFWSA-N 2 0 262.401 2.709 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ncccc2C)C[C@@H]1C ZINC000357332147 382114402 /nfs/dbraw/zinc/11/44/02/382114402.db2.gz LFHVGEYHCHKAAH-GJZGRUSLSA-N 2 0 261.413 2.695 20 0 CFADRP CCn1cncc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000417896675 382096943 /nfs/dbraw/zinc/09/69/43/382096943.db2.gz HWTAXCXBVKMZCP-UHFFFAOYSA-N 2 0 278.444 2.649 20 0 CFADRP CCc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000344107780 382133275 /nfs/dbraw/zinc/13/32/75/382133275.db2.gz ZFRBDXPMHWDPSH-UHFFFAOYSA-N 2 0 291.483 2.564 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)C[C@H]1OC ZINC000344109923 382134030 /nfs/dbraw/zinc/13/40/30/382134030.db2.gz YKDNLCZGSDXPBK-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301299809 382141837 /nfs/dbraw/zinc/14/18/37/382141837.db2.gz WXEWVLNBVHYUJG-UHFFFAOYSA-N 2 0 273.355 2.904 20 0 CFADRP Cc1cccc(N2CCC(Nc3cc(C)nc(C)n3)CC2)n1 ZINC000301325076 382147022 /nfs/dbraw/zinc/14/70/22/382147022.db2.gz YERMDFAMHWYLCQ-UHFFFAOYSA-N 2 0 297.406 2.878 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc(O)c1Cl ZINC000293521600 382155891 /nfs/dbraw/zinc/15/58/91/382155891.db2.gz BCAIKIQTHIEADY-WCQYABFASA-N 2 0 282.815 2.818 20 0 CFADRP COc1ccc(F)c(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000293552616 382172032 /nfs/dbraw/zinc/17/20/32/382172032.db2.gz LHICGSUNTFWUSC-GOOCMWNKSA-N 2 0 292.398 2.939 20 0 CFADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000352157745 382199988 /nfs/dbraw/zinc/19/99/88/382199988.db2.gz YQWISOYMTIIANB-OAHLLOKOSA-N 2 0 297.487 2.532 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000344211722 382201729 /nfs/dbraw/zinc/20/17/29/382201729.db2.gz DVOKEFZKPDFFSR-PXZKZTPFSA-N 2 0 258.409 2.646 20 0 CFADRP COc1ccc(F)c(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000293641250 382208998 /nfs/dbraw/zinc/20/89/98/382208998.db2.gz RSXVCAJBPYAKMA-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000293649351 382215084 /nfs/dbraw/zinc/21/50/84/382215084.db2.gz IMYAMGPCQZRRHA-QGZVFWFLSA-N 2 0 288.435 2.940 20 0 CFADRP C[N@H+](CCC[NH2+][C@@H]1CCOC1(C)C)Cc1ccccc1 ZINC000293657451 382219138 /nfs/dbraw/zinc/21/91/38/382219138.db2.gz IYXFJMXLVXZOGO-MRXNPFEDSA-N 2 0 276.424 2.666 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)CC1 ZINC000377527333 382283446 /nfs/dbraw/zinc/28/34/46/382283446.db2.gz ZWHFYPGDZTZBOG-IRXDYDNUSA-N 2 0 276.424 2.526 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC[C@@](C)(O)c2ccccc2)CC1 ZINC000187897041 382289545 /nfs/dbraw/zinc/28/95/45/382289545.db2.gz WTOKSPGJYXXXDO-GOSISDBHSA-N 2 0 290.451 2.748 20 0 CFADRP C(CN1CC[C@H](C[NH+]2CCCCC2)C1)OCC1CCC1 ZINC000419200582 382240638 /nfs/dbraw/zinc/24/06/38/382240638.db2.gz BDMAHLTZCHGOIU-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP CO[C@@H](CC(C)C)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000419214093 382244999 /nfs/dbraw/zinc/24/49/99/382244999.db2.gz KCLNQCDXEAOZHP-CVEARBPZSA-N 2 0 270.461 2.854 20 0 CFADRP Cc1ccsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293726018 382252768 /nfs/dbraw/zinc/25/27/68/382252768.db2.gz UJOWAOMZUBGFSE-OAHLLOKOSA-N 2 0 264.438 2.974 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC)OC ZINC000419234643 382254117 /nfs/dbraw/zinc/25/41/17/382254117.db2.gz CAZIWJUDRJXNIV-BZUAXINKSA-N 2 0 270.461 2.902 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000352273527 382258111 /nfs/dbraw/zinc/25/81/11/382258111.db2.gz NVYQWNKTMVXTGR-GOEBONIOSA-N 2 0 276.424 2.645 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccn1 ZINC000293752960 382264453 /nfs/dbraw/zinc/26/44/53/382264453.db2.gz QMPLSWWWESWYQI-HNNXBMFYSA-N 2 0 261.413 2.998 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000293752915 382265081 /nfs/dbraw/zinc/26/50/81/382265081.db2.gz QMLMWHWYQKMPBY-CQSZACIVSA-N 2 0 276.428 2.702 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000344633743 382270485 /nfs/dbraw/zinc/27/04/85/382270485.db2.gz ALJINMSDTQGJGK-IRXDYDNUSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000344640604 382270896 /nfs/dbraw/zinc/27/08/96/382270896.db2.gz MAYPJYHHPUOCAV-HUUCEWRRSA-N 2 0 282.472 2.636 20 0 CFADRP COc1cc(Cl)ccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420290357 382343872 /nfs/dbraw/zinc/34/38/72/382343872.db2.gz IVABOGQZHDXXKM-LLVKDONJSA-N 2 0 282.815 2.908 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377641987 382308279 /nfs/dbraw/zinc/30/82/79/382308279.db2.gz DWKSUOSYNOYSKY-MRXNPFEDSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000187967332 382311507 /nfs/dbraw/zinc/31/15/07/382311507.db2.gz VZWOHTZCXZQTAJ-RHSMWYFYSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)C[NH+](C)C ZINC000293874659 382317343 /nfs/dbraw/zinc/31/73/43/382317343.db2.gz YJSGXKWQKUILJI-KGLIPLIRSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422700708 296328410 /nfs/dbraw/zinc/32/84/10/296328410.db2.gz HJHIWKXQUAWAKA-NQNKBUKLSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352420299 382322836 /nfs/dbraw/zinc/32/28/36/382322836.db2.gz BEEZAEVGXMQOIL-GXTWGEPZSA-N 2 0 299.459 2.953 20 0 CFADRP C[C@@]1(c2ccccc2)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420294141 382345437 /nfs/dbraw/zinc/34/54/37/382345437.db2.gz ARIBJXUIZOTMJP-DOTOQJQBSA-N 2 0 258.409 2.650 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1nc2ccccc2s1 ZINC000420294169 382345528 /nfs/dbraw/zinc/34/55/28/382345528.db2.gz ASWWKKVFJINYIG-LBPRGKRZSA-N 2 0 275.421 2.728 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357805383 382330982 /nfs/dbraw/zinc/33/09/82/382330982.db2.gz XNOWIALQSGZJGM-SJORKVTESA-N 2 0 298.434 2.767 20 0 CFADRP c1cnn(C[C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000364599057 382333593 /nfs/dbraw/zinc/33/35/93/382333593.db2.gz KVQYTXLCMRVZOJ-QGZVFWFLSA-N 2 0 290.455 2.614 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420294136 382346298 /nfs/dbraw/zinc/34/62/98/382346298.db2.gz AQKGRZUYPZDNNS-JKSUJKDBSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415033761 296329680 /nfs/dbraw/zinc/32/96/80/296329680.db2.gz JHQDJHNNACWIHR-FZCLSBEQSA-N 3 0 293.499 2.747 20 0 CFADRP Fc1ccc(C[C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420298626 382349174 /nfs/dbraw/zinc/34/91/74/382349174.db2.gz FKXOPMKXOMVGTN-RDJZCZTQSA-N 2 0 276.399 2.832 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]12 ZINC000420298963 382349314 /nfs/dbraw/zinc/34/93/14/382349314.db2.gz ANKZAFDMBPKZHE-IFUGULHKSA-N 2 0 298.789 2.527 20 0 CFADRP Oc1ccc(C2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420297870 382350241 /nfs/dbraw/zinc/35/02/41/382350241.db2.gz DQUKHAPHGQCLFP-AWEZNQCLSA-N 2 0 274.408 2.571 20 0 CFADRP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420299268 382350398 /nfs/dbraw/zinc/35/03/98/382350398.db2.gz IPDJALVDEQQHHB-HLLBOEOZSA-N 2 0 258.409 2.864 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420302971 382353366 /nfs/dbraw/zinc/35/33/66/382353366.db2.gz KDVHSLINTBNSQJ-PBHICJAKSA-N 2 0 274.408 2.832 20 0 CFADRP CCCC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000420302588 382353506 /nfs/dbraw/zinc/35/35/06/382353506.db2.gz MSCAFWCWYDPOQC-KRWDZBQOSA-N 2 0 289.467 2.755 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420304916 382354268 /nfs/dbraw/zinc/35/42/68/382354268.db2.gz JLOWTIRJQYIAIL-YESZJQIVSA-N 2 0 288.435 2.687 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3ccsc3)C[C@@H]21 ZINC000420302407 382354391 /nfs/dbraw/zinc/35/43/91/382354391.db2.gz FYPCKDHCDXLFQS-QLFBSQMISA-N 2 0 264.438 2.740 20 0 CFADRP Cc1csc([C@H]2CCCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000420306200 382355807 /nfs/dbraw/zinc/35/58/07/382355807.db2.gz ABHZHABJOHBJRD-ZIAGYGMSSA-N 2 0 279.453 2.978 20 0 CFADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420306622 382356576 /nfs/dbraw/zinc/35/65/76/382356576.db2.gz QOUKOCVMSPOUOU-DOTOQJQBSA-N 2 0 288.435 2.702 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420308600 382357569 /nfs/dbraw/zinc/35/75/69/382357569.db2.gz SKUGESFFHAHUKQ-NSHDSACASA-N 2 0 270.779 2.911 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2ccccn2)cc1 ZINC000680477354 542329381 /nfs/dbraw/zinc/32/93/81/542329381.db2.gz CFKKKWCVKYGCTE-UHFFFAOYSA-N 2 0 299.418 2.654 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](C(C)C)C2)cc1 ZINC000420311961 382359540 /nfs/dbraw/zinc/35/95/40/382359540.db2.gz WLZYCNGQIAGCFA-HZPDHXFCSA-N 2 0 276.424 2.715 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420312672 382360160 /nfs/dbraw/zinc/36/01/60/382360160.db2.gz OSKVYICEVXZNIT-HNNXBMFYSA-N 2 0 276.424 2.689 20 0 CFADRP CC[C@@]1(C)CC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420311454 382360920 /nfs/dbraw/zinc/36/09/20/382360920.db2.gz VYWYNWNRLVYNFJ-WBVHZDCISA-N 2 0 276.424 2.860 20 0 CFADRP c1ccc(C[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420315957 382361491 /nfs/dbraw/zinc/36/14/91/382361491.db2.gz MAHYZHXKFDVAFR-IRXDYDNUSA-N 2 0 258.409 2.551 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CCS1 ZINC000420314108 382362467 /nfs/dbraw/zinc/36/24/67/382362467.db2.gz YTUGOXXFDMGMHT-GDBMZVCRSA-N 2 0 294.464 2.565 20 0 CFADRP Cc1sccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000293985623 382366072 /nfs/dbraw/zinc/36/60/72/382366072.db2.gz RRIUVLSQSINDLE-AWEZNQCLSA-N 2 0 250.411 2.584 20 0 CFADRP CC[C@@](C)([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000420322250 382369323 /nfs/dbraw/zinc/36/93/23/382369323.db2.gz SKBUKMWCBGSBFW-GXTWGEPZSA-N 2 0 267.442 2.748 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCOCC[C@@H]1C ZINC000365270825 382370470 /nfs/dbraw/zinc/37/04/70/382370470.db2.gz UINUYPRPVDXDOP-HNNXBMFYSA-N 2 0 285.391 2.792 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000346458204 382370684 /nfs/dbraw/zinc/37/06/84/382370684.db2.gz LKFXVXTWYPHZNL-QAPCUYQASA-N 2 0 288.435 2.940 20 0 CFADRP C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000420328383 382371010 /nfs/dbraw/zinc/37/10/10/382371010.db2.gz MIZFMYLGDIHWGC-BRWVUGGUSA-N 2 0 294.483 2.890 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]CC[C@@H]2CC[NH2+]C2)sc1C ZINC000420327730 382371047 /nfs/dbraw/zinc/37/10/47/382371047.db2.gz YXEZKZLXXRAZOS-LBPRGKRZSA-N 2 0 267.442 2.584 20 0 CFADRP CC(C)CCOC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420325660 382371563 /nfs/dbraw/zinc/37/15/63/382371563.db2.gz WMVCEEWWVSAEQI-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccccc1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329105 382372598 /nfs/dbraw/zinc/37/25/98/382372598.db2.gz GGAWBVNOQZCYEN-CALCHBBNSA-N 2 0 288.435 2.559 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420341966 382375758 /nfs/dbraw/zinc/37/57/58/382375758.db2.gz PCADGQMWPJFFPC-DLBZAZTESA-N 2 0 288.435 2.559 20 0 CFADRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000420339876 382375903 /nfs/dbraw/zinc/37/59/03/382375903.db2.gz ZEXMQEKTYOWHAC-KGLIPLIRSA-N 2 0 291.439 2.794 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)c(Cl)c1 ZINC000420356273 382380746 /nfs/dbraw/zinc/38/07/46/382380746.db2.gz GLPLKWWZVJCBQW-LLVKDONJSA-N 2 0 270.779 2.911 20 0 CFADRP Cc1cccc(C)c1OCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420395846 382397986 /nfs/dbraw/zinc/39/79/86/382397986.db2.gz DRVVDLBBOVUUTN-BBRMVZONSA-N 2 0 276.424 2.599 20 0 CFADRP COCC(C)(C)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352533847 382383080 /nfs/dbraw/zinc/38/30/80/382383080.db2.gz AELOZAXLQBVDBX-UHFFFAOYSA-N 2 0 256.434 2.500 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000420362466 382383808 /nfs/dbraw/zinc/38/38/08/382383808.db2.gz ARUONQUEIBYCOF-XJKSGUPXSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H](C[N@H+](C)CCC1CC[NH2+]CC1)c1nccs1 ZINC000420361998 382384085 /nfs/dbraw/zinc/38/40/85/382384085.db2.gz NWFKXRHTPUETOH-GFCCVEGCSA-N 2 0 267.442 2.568 20 0 CFADRP c1ccc(N[C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420367419 382388910 /nfs/dbraw/zinc/38/89/10/382388910.db2.gz VUMGDGKTQGPWOX-WBVHZDCISA-N 2 0 273.424 2.563 20 0 CFADRP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420397012 382398329 /nfs/dbraw/zinc/39/83/29/382398329.db2.gz FSUCLASWICTVGW-NEPJUHHUSA-N 2 0 280.416 2.568 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420369212 382389397 /nfs/dbraw/zinc/38/93/97/382389397.db2.gz UTCAMLHPVWGKID-OAHLLOKOSA-N 2 0 276.424 2.660 20 0 CFADRP COc1ccc(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420397702 382398452 /nfs/dbraw/zinc/39/84/52/382398452.db2.gz MWCKSWDJDHNVKU-AEFFLSMTSA-N 2 0 288.435 2.702 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000420396718 382398483 /nfs/dbraw/zinc/39/84/83/382398483.db2.gz WEOIRNPCMSKFQX-SJORKVTESA-N 2 0 280.456 2.785 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370380 382391084 /nfs/dbraw/zinc/39/10/84/382391084.db2.gz LIAKKKVYWWRZIK-GOSISDBHSA-N 2 0 288.435 2.839 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000420376758 382392698 /nfs/dbraw/zinc/39/26/98/382392698.db2.gz REELEPJQVVITSS-RISCZKNCSA-N 2 0 252.789 2.990 20 0 CFADRP CCc1ccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000420379865 382394951 /nfs/dbraw/zinc/39/49/51/382394951.db2.gz VYHKVQGXBLGBFC-WMZOPIPTSA-N 2 0 288.435 2.622 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420297322 382347093 /nfs/dbraw/zinc/34/70/93/382347093.db2.gz YOMPEGHGHMOBDS-OCCSQVGLSA-N 2 0 252.427 2.740 20 0 CFADRP Cc1cccc2c(NCC[N@@H+]3CCCOCC3)c(C)c[nH+]c12 ZINC000188503527 382425776 /nfs/dbraw/zinc/42/57/76/382425776.db2.gz OBSXKEMNNIJDRS-UHFFFAOYSA-N 2 0 299.418 2.986 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CCCc2nccs2)CC1 ZINC000358048814 382429125 /nfs/dbraw/zinc/42/91/25/382429125.db2.gz QQVISOZHDVQAST-UHFFFAOYSA-N 2 0 281.469 2.928 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)c1 ZINC000358068201 382436388 /nfs/dbraw/zinc/43/63/88/382436388.db2.gz YTSCLLVVKYLDGC-YJBOKZPZSA-N 2 0 289.467 2.567 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420405864 382400295 /nfs/dbraw/zinc/40/02/95/382400295.db2.gz UEHXUGSPFQJJDY-HZPDHXFCSA-N 2 0 296.455 2.574 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420408920 382401490 /nfs/dbraw/zinc/40/14/90/382401490.db2.gz QCGQDJZZACOWHE-QWRGUYRKSA-N 2 0 272.314 2.966 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1C(F)(F)F ZINC000420408923 382401716 /nfs/dbraw/zinc/40/17/16/382401716.db2.gz QCGQDJZZACOWHE-WDEREUQCSA-N 2 0 272.314 2.966 20 0 CFADRP Fc1cccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420409168 382401766 /nfs/dbraw/zinc/40/17/66/382401766.db2.gz WRDRNICMOUBXRY-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420420721 382403185 /nfs/dbraw/zinc/40/31/85/382403185.db2.gz YIXNMHZVGNTUMG-NJAFHUGGSA-N 2 0 288.435 2.744 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000420422803 382403254 /nfs/dbraw/zinc/40/32/54/382403254.db2.gz ZTCVCBRPTBDUPU-KBPBESRZSA-N 2 0 265.401 2.722 20 0 CFADRP CC(C)[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1nc(C2CC2)no1 ZINC000420417892 382403352 /nfs/dbraw/zinc/40/33/52/382403352.db2.gz WODUOOPMRGXDAN-CQSZACIVSA-N 2 0 292.427 2.623 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)s1 ZINC000358001152 382403580 /nfs/dbraw/zinc/40/35/80/382403580.db2.gz DMBZRQVUXGIAFS-CMPLNLGQSA-N 2 0 272.845 2.874 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCOc2ccccc2)CC[N@@H+]1C ZINC000358031837 382418845 /nfs/dbraw/zinc/41/88/45/382418845.db2.gz ZMMPOSJRMUHRJW-HZPDHXFCSA-N 2 0 276.424 2.918 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000346684032 382471070 /nfs/dbraw/zinc/47/10/70/382471070.db2.gz GTBIQXNPZOFEIW-UHFFFAOYSA-N 2 0 274.408 2.646 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000346643354 382451809 /nfs/dbraw/zinc/45/18/09/382451809.db2.gz CWIBIJFSGORWOA-ONGXEEELSA-N 2 0 288.313 2.596 20 0 CFADRP CC[C@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352705588 382452351 /nfs/dbraw/zinc/45/23/51/382452351.db2.gz QPKLSOKISOQHFO-KRWDZBQOSA-N 2 0 289.467 2.535 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000346645725 382453589 /nfs/dbraw/zinc/45/35/89/382453589.db2.gz FIWMCHMPEHKLLC-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OC(C)C ZINC000346646516 382453601 /nfs/dbraw/zinc/45/36/01/382453601.db2.gz OHKACRVDPQVKFN-HIFRSBDPSA-N 2 0 292.423 2.652 20 0 CFADRP C[NH2+]C[C@H]1CCCN1Cc1ccc(OCC(C)C)cc1 ZINC000346651808 382456191 /nfs/dbraw/zinc/45/61/91/382456191.db2.gz CVKZXCUHSQKUAR-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC000346653696 382456925 /nfs/dbraw/zinc/45/69/25/382456925.db2.gz FDZOQCJEPQPQOC-KBXCAEBGSA-N 2 0 281.403 2.918 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358134910 382463810 /nfs/dbraw/zinc/46/38/10/382463810.db2.gz BRGNDBNMYOIMQF-XIRDDKMYSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000346678643 382467782 /nfs/dbraw/zinc/46/77/82/382467782.db2.gz MLDCEJOYDIESCF-CHWSQXEVSA-N 2 0 287.432 2.979 20 0 CFADRP CCOCc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1OC ZINC000346692755 382475382 /nfs/dbraw/zinc/47/53/82/382475382.db2.gz ITIGHGUQRVZMLG-UHFFFAOYSA-N 2 0 294.439 2.648 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000346692767 382475576 /nfs/dbraw/zinc/47/55/76/382475576.db2.gz IUHWLGNABVLBDR-INIZCTEOSA-N 2 0 286.423 2.882 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OCC ZINC000346693741 382477520 /nfs/dbraw/zinc/47/75/20/382477520.db2.gz PHILCSLHFGJXPI-UKRRQHHQSA-N 2 0 292.423 2.653 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC(CC[NH2+]C)CC2)CCO1 ZINC000346694259 382478224 /nfs/dbraw/zinc/47/82/24/382478224.db2.gz TWGBLPYIFMTSHB-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000366164264 382478982 /nfs/dbraw/zinc/47/89/82/382478982.db2.gz MWBOPXCAVDBUTG-QZTJIDSGSA-N 2 0 293.499 2.811 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](C)CC1CCOCC1 ZINC000346695305 382479908 /nfs/dbraw/zinc/47/99/08/382479908.db2.gz ZRYONBBFLNEJGN-GDBMZVCRSA-N 2 0 270.461 2.744 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCOCC(F)F)CC1 ZINC000188809224 382482595 /nfs/dbraw/zinc/48/25/95/382482595.db2.gz AOKREGKJIBLGIR-UHFFFAOYSA-N 2 0 292.414 2.712 20 0 CFADRP COc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000294265616 382484922 /nfs/dbraw/zinc/48/49/22/382484922.db2.gz RIVOTKNIQDLJOS-UHFFFAOYSA-N 2 0 297.402 2.849 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC000358242605 382523767 /nfs/dbraw/zinc/52/37/67/382523767.db2.gz VYARSMWRXBWUPV-XUWVNRHRSA-N 2 0 282.472 2.900 20 0 CFADRP COCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000346814218 382525330 /nfs/dbraw/zinc/52/53/30/382525330.db2.gz ACDAWLJAERLQFL-CVEARBPZSA-N 2 0 276.424 2.696 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC3CC3)C[C@@H]12 ZINC000346814601 382525630 /nfs/dbraw/zinc/52/56/30/382525630.db2.gz BUUXOZLJVGOHSI-USXIJHARSA-N 2 0 286.419 2.645 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000381997389 382527317 /nfs/dbraw/zinc/52/73/17/382527317.db2.gz XXMGSBQOWDMKNQ-AGIUHOORSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H](CCN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000379656289 382508106 /nfs/dbraw/zinc/50/81/06/382508106.db2.gz ORENSEKZOUTBKT-NXHRZFHOSA-N 2 0 289.467 2.757 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000379743820 382508837 /nfs/dbraw/zinc/50/88/37/382508837.db2.gz XVENTSXVPTZRSD-CYBMUJFWSA-N 2 0 256.459 2.592 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000346788239 382511399 /nfs/dbraw/zinc/51/13/99/382511399.db2.gz HMCAWTXKNFEWOG-JHJVBQTASA-N 2 0 258.475 2.694 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000312702869 382515721 /nfs/dbraw/zinc/51/57/21/382515721.db2.gz OBIVUWDRDRKXIG-XHSDSOJGSA-N 2 0 278.440 2.539 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188984963 382518232 /nfs/dbraw/zinc/51/82/32/382518232.db2.gz WQSRQRREAZCBSW-IAGOWNOFSA-N 2 0 260.425 2.939 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366494156 382518774 /nfs/dbraw/zinc/51/87/74/382518774.db2.gz BIFMWIJPUKJRHD-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358236495 382519113 /nfs/dbraw/zinc/51/91/13/382519113.db2.gz AWNCJSSROCITDU-RBGFHDKUSA-N 2 0 282.472 2.898 20 0 CFADRP FC1(F)CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000383275948 382541475 /nfs/dbraw/zinc/54/14/75/382541475.db2.gz ZQYCTBKIGYUSCR-MGPQQGTHSA-N 2 0 272.383 2.932 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@@H]12 ZINC000346843514 382541400 /nfs/dbraw/zinc/54/14/00/382541400.db2.gz JODNLWFTOGJHPD-GUDVDZBRSA-N 2 0 293.414 2.918 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000346846989 382542713 /nfs/dbraw/zinc/54/27/13/382542713.db2.gz ONWBQCAZNZFGPF-YXMSTPNBSA-N 2 0 250.430 2.872 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000383369304 382543086 /nfs/dbraw/zinc/54/30/86/382543086.db2.gz IAYXHMFFSKQGIQ-CZUORRHYSA-N 2 0 294.826 2.793 20 0 CFADRP CC[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000346850007 382543859 /nfs/dbraw/zinc/54/38/59/382543859.db2.gz HPIUJEXALLGUFF-IWCQGFGOSA-N 2 0 258.409 2.849 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346853770 382545642 /nfs/dbraw/zinc/54/56/42/382545642.db2.gz ALROEMJOSLXSDR-CABCVRRESA-N 2 0 291.414 2.844 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCCC[C@H]1C ZINC000353458388 382545778 /nfs/dbraw/zinc/54/57/78/382545778.db2.gz CPFSWFOYSFQAAA-DUQPFJRNSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000383678880 382545915 /nfs/dbraw/zinc/54/59/15/382545915.db2.gz WBGBCIASXQGGQZ-IAQYHMDHSA-N 2 0 284.350 2.705 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353452210 382546992 /nfs/dbraw/zinc/54/69/92/382546992.db2.gz YYKZUOBUNURNED-XDNAFOTISA-N 2 0 293.499 2.713 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCSC1 ZINC000384160411 382550470 /nfs/dbraw/zinc/55/04/70/382550470.db2.gz RJPCENPJLCOSNM-LJISPDSOSA-N 2 0 268.470 2.640 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000353481031 382550942 /nfs/dbraw/zinc/55/09/42/382550942.db2.gz CRJSAXDRJCEKLC-JONQDZQNSA-N 2 0 282.472 2.900 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2F)[C@@H](C)C1 ZINC000346866764 382552016 /nfs/dbraw/zinc/55/20/16/382552016.db2.gz HMJNYGMYJXQGOQ-HOCLYGCPSA-N 2 0 293.430 2.948 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(C)c1 ZINC000353500125 382553188 /nfs/dbraw/zinc/55/31/88/382553188.db2.gz FQCOGAFTDCZPEZ-SFHVURJKSA-N 2 0 290.451 2.740 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353499541 382553677 /nfs/dbraw/zinc/55/36/77/382553677.db2.gz VEVXXIHRDMDCLK-KZNAEPCWSA-N 3 0 293.499 2.571 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353521883 382557245 /nfs/dbraw/zinc/55/72/45/382557245.db2.gz QRFHXLLXJJZTRB-WUCCLRPBSA-N 2 0 268.445 2.652 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000358304426 382557501 /nfs/dbraw/zinc/55/75/01/382557501.db2.gz SYAFGFJFVJCHTP-UPJWGTAASA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000346887253 382559150 /nfs/dbraw/zinc/55/91/50/382559150.db2.gz SCICBTULRCTNJG-CJNGLKHVSA-N 2 0 279.403 2.558 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000358312596 382563109 /nfs/dbraw/zinc/56/31/09/382563109.db2.gz BOWWDDZERVAIMU-YESZJQIVSA-N 2 0 280.456 2.533 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)no1 ZINC000353584323 382564633 /nfs/dbraw/zinc/56/46/33/382564633.db2.gz GGZUSBNTKKVPOM-PNESKVBLSA-N 2 0 251.374 2.506 20 0 CFADRP C[N@H+](CCCC1CCOCC1)CC[C@@H]1CCCC[NH+]1C ZINC000346911126 382568003 /nfs/dbraw/zinc/56/80/03/382568003.db2.gz ANMLGKWBMYBXBO-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)O1 ZINC000294835571 382533614 /nfs/dbraw/zinc/53/36/14/382533614.db2.gz STILVTIIXHCGJO-IIDMSEBBSA-N 2 0 288.435 2.938 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCC12CCCC2)N1CC[NH+](C)CC1 ZINC000189058705 382534118 /nfs/dbraw/zinc/53/41/18/382534118.db2.gz PKSGMUJXOBJSPD-SJORKVTESA-N 2 0 293.499 2.571 20 0 CFADRP CSC1(C[NH2+][C@@H](C)CC2CC2)CC[NH+](C)CC1 ZINC000353624771 382584107 /nfs/dbraw/zinc/58/41/07/382584107.db2.gz DPNUYONQOBVZES-LBPRGKRZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC23CCC(CC2)C3)[C@H](C)C1 ZINC000358368272 382590597 /nfs/dbraw/zinc/59/05/97/382590597.db2.gz MEOAWMVTTRHWFI-CIDNJEQPSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000346971297 382592676 /nfs/dbraw/zinc/59/26/76/382592676.db2.gz GTCNNGLLODNRKQ-FPCVCCKLSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000386900977 382593935 /nfs/dbraw/zinc/59/39/35/382593935.db2.gz OSDNXDPUBAAUGO-INIZCTEOSA-N 2 0 289.467 2.758 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000353649377 382594133 /nfs/dbraw/zinc/59/41/33/382594133.db2.gz NQLUNMXUUYPILD-KGLIPLIRSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000358387286 382596637 /nfs/dbraw/zinc/59/66/37/382596637.db2.gz BBKQSPIOERQPAZ-UHIISALHSA-N 2 0 284.350 2.889 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnccc2C)C[C@H]1C ZINC000353659439 382598528 /nfs/dbraw/zinc/59/85/28/382598528.db2.gz KYGDOEDLHYEOBH-ZBFHGGJFSA-N 2 0 261.413 2.695 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000189368601 382599576 /nfs/dbraw/zinc/59/95/76/382599576.db2.gz CEVGMJALRJEGOF-HOTGVXAUSA-N 2 0 266.429 2.506 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353664385 382600009 /nfs/dbraw/zinc/60/00/09/382600009.db2.gz XEDHVVAOYXKMLS-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000387785427 382601310 /nfs/dbraw/zinc/60/13/10/382601310.db2.gz FCLLSGTWLXTAGV-DGADGQDISA-N 2 0 250.430 2.933 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2)C[C@H]1C ZINC000353743893 382622777 /nfs/dbraw/zinc/62/27/77/382622777.db2.gz DYWHXXIIXHWODF-GDBMZVCRSA-N 2 0 276.424 3.000 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393597974 382624434 /nfs/dbraw/zinc/62/44/34/382624434.db2.gz KRRQMDZLCIKOBT-TUKIKUTGSA-N 2 0 262.397 2.518 20 0 CFADRP CCc1ncc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000353755639 382626797 /nfs/dbraw/zinc/62/67/97/382626797.db2.gz TUPRLBFCUJVNOJ-TZMCWYRMSA-N 2 0 281.469 2.868 20 0 CFADRP CSCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000385874908 382579546 /nfs/dbraw/zinc/57/95/46/382579546.db2.gz VSKNFJAMOINDGS-SLTAFYQDSA-N 2 0 270.486 2.840 20 0 CFADRP C[C@@H]([NH2+]CCCOC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386066406 382582310 /nfs/dbraw/zinc/58/23/10/382582310.db2.gz YNTRWQUURKWZGZ-GDBMZVCRSA-N 2 0 268.445 2.846 20 0 CFADRP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000190602605 382674802 /nfs/dbraw/zinc/67/48/02/382674802.db2.gz XXIFLFJVNHCXQM-AEFFLSMTSA-N 2 0 294.483 2.735 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000191185483 382694889 /nfs/dbraw/zinc/69/48/89/382694889.db2.gz KWRSGTRUMWCZDI-DZGCQCFKSA-N 2 0 292.471 2.939 20 0 CFADRP C[N@H+](CCCNC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000336849244 382735071 /nfs/dbraw/zinc/73/50/71/382735071.db2.gz QTUSBKUDFCROIO-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000191838377 382702796 /nfs/dbraw/zinc/70/27/96/382702796.db2.gz JRDFMBCDXFHGLH-GDBMZVCRSA-N 2 0 276.424 2.873 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1sccc1Cl ZINC000193142614 382716283 /nfs/dbraw/zinc/71/62/83/382716283.db2.gz KWNQGGAFEKYHLO-NSHDSACASA-N 2 0 290.860 2.848 20 0 CFADRP CCO[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000193429851 382719879 /nfs/dbraw/zinc/71/98/79/382719879.db2.gz UQABSVMDWPQPSW-KURKYZTESA-N 2 0 288.435 2.981 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193606805 382721470 /nfs/dbraw/zinc/72/14/70/382721470.db2.gz HBCNUOLSUJEQLB-QXSJWSMHSA-N 2 0 250.430 2.696 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000575172878 382729799 /nfs/dbraw/zinc/72/97/99/382729799.db2.gz QERHETNCZUUVQX-BBRMVZONSA-N 2 0 274.408 2.662 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000575172879 382729822 /nfs/dbraw/zinc/72/98/22/382729822.db2.gz QERHETNCZUUVQX-CJNGLKHVSA-N 2 0 274.408 2.662 20 0 CFADRP C[NH+](C)CCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000575180326 382730382 /nfs/dbraw/zinc/73/03/82/382730382.db2.gz OBYZOQZZZJPGBF-MRXNPFEDSA-N 2 0 278.465 2.946 20 0 CFADRP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(-n2cccn2)c1 ZINC000337282996 382793434 /nfs/dbraw/zinc/79/34/34/382793434.db2.gz XSXONICLZUQKND-UHFFFAOYSA-N 2 0 298.434 2.790 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1Cl ZINC000195437380 382767991 /nfs/dbraw/zinc/76/79/91/382767991.db2.gz GJUOHJIXZXPGNO-UHFFFAOYSA-N 2 0 296.842 2.850 20 0 CFADRP [NH3+]CCCOC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000211912327 382775762 /nfs/dbraw/zinc/77/57/62/382775762.db2.gz YBNZVNVFYNFARK-YWEYNIOJSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@H](CC[NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000194263736 382738483 /nfs/dbraw/zinc/73/84/83/382738483.db2.gz BXYYKWQKOMVDJY-MRXNPFEDSA-N 2 0 290.451 2.617 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000194323938 382740617 /nfs/dbraw/zinc/74/06/17/382740617.db2.gz RUUUHNOLLGFUFQ-MRXNPFEDSA-N 2 0 290.451 2.881 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000194862176 382755961 /nfs/dbraw/zinc/75/59/61/382755961.db2.gz NIDNKJICFUZTID-KBPBESRZSA-N 2 0 262.397 2.775 20 0 CFADRP Cc1ccc([C@H]([NH2+]CCOCC[NH+](C)C)C2CC2)cc1 ZINC000219311042 382793284 /nfs/dbraw/zinc/79/32/84/382793284.db2.gz BUBLDOYMGYAXQX-KRWDZBQOSA-N 2 0 276.424 2.614 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]21 ZINC000228536298 382847595 /nfs/dbraw/zinc/84/75/95/382847595.db2.gz DLYFAUKBDJXCQY-GVDBMIGSSA-N 2 0 281.403 2.794 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@@H]([NH3+])C[C@H]2C)o1 ZINC000577122860 382848982 /nfs/dbraw/zinc/84/89/82/382848982.db2.gz ZHTCDZSGOJZYRB-ZIAGYGMSSA-N 2 0 285.391 2.962 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000577161695 382849633 /nfs/dbraw/zinc/84/96/33/382849633.db2.gz CRQQBYFZVOONHV-BZUAXINKSA-N 2 0 279.472 2.548 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(C)(C)C)C2)CC1 ZINC000337295324 382796395 /nfs/dbraw/zinc/79/63/95/382796395.db2.gz AIRNHLVBMJGAEU-KRWDZBQOSA-N 2 0 295.515 2.771 20 0 CFADRP c1csc(-c2nc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)c1 ZINC000575742210 382797260 /nfs/dbraw/zinc/79/72/60/382797260.db2.gz WOVUVTYXHOQHCF-FOSCPWQOSA-N 2 0 289.404 2.776 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000337327868 382802534 /nfs/dbraw/zinc/80/25/34/382802534.db2.gz DLHHIJASQVUHQS-BZUAXINKSA-N 2 0 270.461 2.758 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCCN1CC ZINC000337328157 382802540 /nfs/dbraw/zinc/80/25/40/382802540.db2.gz DULZPEXFQICEDU-MRXNPFEDSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000575923798 382804064 /nfs/dbraw/zinc/80/40/64/382804064.db2.gz IJQFDPZGLDQENL-INIZCTEOSA-N 2 0 292.448 2.531 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000576003407 382807257 /nfs/dbraw/zinc/80/72/57/382807257.db2.gz WNPJHMQXQUWHFD-HUUCEWRRSA-N 2 0 258.409 2.886 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000337388657 382814146 /nfs/dbraw/zinc/81/41/46/382814146.db2.gz JMARQFDBMQWGBM-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000229218440 382851050 /nfs/dbraw/zinc/85/10/50/382851050.db2.gz DINUPFQPAAKRNL-QLFBSQMISA-N 2 0 268.470 2.640 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000229218467 382851306 /nfs/dbraw/zinc/85/13/06/382851306.db2.gz DINUPFQPAAKRNL-KKUMJFAQSA-N 2 0 268.470 2.640 20 0 CFADRP Clc1ccc(CC[NH2+]CC2CC[NH2+]CC2)s1 ZINC000226350817 382827184 /nfs/dbraw/zinc/82/71/84/382827184.db2.gz RRBITQCFKDRBKV-UHFFFAOYSA-N 2 0 258.818 2.533 20 0 CFADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337477506 382827743 /nfs/dbraw/zinc/82/77/43/382827743.db2.gz PKJCHOVGFSQSJL-BRWVUGGUSA-N 2 0 292.467 2.677 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000337480041 382828058 /nfs/dbraw/zinc/82/80/58/382828058.db2.gz QGNCRUIQBQIZES-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000226436676 382828670 /nfs/dbraw/zinc/82/86/70/382828670.db2.gz BEPZXYUVMWWNII-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000227498897 382837199 /nfs/dbraw/zinc/83/71/99/382837199.db2.gz UIYOQYBOOUCXTN-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C12CCC2 ZINC000227495564 382837286 /nfs/dbraw/zinc/83/72/86/382837286.db2.gz FVYOUSBRYGCDKP-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]C[C@H](CSCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000576986429 382843587 /nfs/dbraw/zinc/84/35/87/382843587.db2.gz RSCLDBPPNGOGND-CQSZACIVSA-N 2 0 282.428 2.601 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc2cccnc12 ZINC000578244726 382904443 /nfs/dbraw/zinc/90/44/43/382904443.db2.gz GMTCDWXVILECBV-BBRMVZONSA-N 2 0 269.392 2.855 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN3CCCC[C@H]13)CO2 ZINC000493895181 382906705 /nfs/dbraw/zinc/90/67/05/382906705.db2.gz VBHOWFMUAJDPMN-YESZJQIVSA-N 2 0 286.419 2.597 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCSc3ccccc3)C[C@@H]21 ZINC000230046105 382855274 /nfs/dbraw/zinc/85/52/74/382855274.db2.gz CLBCSULAENMCNP-CWRNSKLLSA-N 2 0 276.449 2.838 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@@H]21 ZINC000230126867 382855871 /nfs/dbraw/zinc/85/58/71/382855871.db2.gz HOVSQSWKKSPBCR-XOKHGSTOSA-N 2 0 281.403 2.794 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441348695 382909217 /nfs/dbraw/zinc/90/92/17/382909217.db2.gz CTOJLFIFVVTHTL-SJORKVTESA-N 2 0 293.499 2.594 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000577425406 382858857 /nfs/dbraw/zinc/85/88/57/382858857.db2.gz URDPJKPTJIXTAA-CQSZACIVSA-N 2 0 261.413 2.773 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000494179226 382909646 /nfs/dbraw/zinc/90/96/46/382909646.db2.gz KWGAIUAUOOALND-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414793258 532959697 /nfs/dbraw/zinc/95/96/97/532959697.db2.gz KAECGXUBPZKCKD-TZMCWYRMSA-N 2 0 250.411 2.626 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577626853 382865471 /nfs/dbraw/zinc/86/54/71/382865471.db2.gz VQHPGLSIVYBALD-RBSFLKMASA-N 2 0 262.397 2.622 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccncc1F ZINC000577731055 382868620 /nfs/dbraw/zinc/86/86/20/382868620.db2.gz WESCUIHKZUKUOD-LLVKDONJSA-N 2 0 259.328 2.530 20 0 CFADRP COc1cccc2c1ccnc2NCCCn1ccnc1 ZINC000235031115 382876437 /nfs/dbraw/zinc/87/64/37/382876437.db2.gz CJBLUMPPZNGUAU-UHFFFAOYSA-N 2 0 282.347 2.942 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578005208 382880920 /nfs/dbraw/zinc/88/09/20/382880920.db2.gz QKNZJGAHMBUKGV-VNHYZAJKSA-N 2 0 292.471 2.985 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000578323646 382910983 /nfs/dbraw/zinc/91/09/83/382910983.db2.gz RFZDXWMVCXJWFV-DLBZAZTESA-N 2 0 288.435 2.614 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[NH+](C)C ZINC000337990877 382891347 /nfs/dbraw/zinc/89/13/47/382891347.db2.gz FLWZSXUYHFPGDI-GFCCVEGCSA-N 2 0 270.367 2.827 20 0 CFADRP c1cncc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000533427198 382897306 /nfs/dbraw/zinc/89/73/06/382897306.db2.gz OTAGQWBRTKAYJO-KRWDZBQOSA-N 2 0 273.424 2.574 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)CC2CCCC2)CC1 ZINC000338012277 382901243 /nfs/dbraw/zinc/90/12/43/382901243.db2.gz LCRDFSQCISNUGC-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1cccc(Br)c1 ZINC000423167323 532963899 /nfs/dbraw/zinc/96/38/99/532963899.db2.gz SCBCNNDDEJRTLU-MNOVXSKESA-N 2 0 285.229 2.707 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000494920276 382941557 /nfs/dbraw/zinc/94/15/57/382941557.db2.gz GATWNFZGFZQOEX-YIDVYQOGSA-N 2 0 252.446 2.989 20 0 CFADRP Cc1ncccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535083139 382951392 /nfs/dbraw/zinc/95/13/92/382951392.db2.gz KJAPFAFGLMCEKC-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP CCC[C@](C)([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000442751115 382952114 /nfs/dbraw/zinc/95/21/14/382952114.db2.gz BOXVZHOYNHVERS-INIZCTEOSA-N 2 0 288.395 2.772 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cc2)n1 ZINC000442761448 382952141 /nfs/dbraw/zinc/95/21/41/382952141.db2.gz CAVAIOORJICBLM-RHSMWYFYSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535086010 382952361 /nfs/dbraw/zinc/95/23/61/382952361.db2.gz IRXGSCNLOXXAEI-JKSUJKDBSA-N 2 0 296.499 2.980 20 0 CFADRP [NH3+][C@H]1CCCCCC[C@@H]1c1nc(C2([NH3+])CCCC2)no1 ZINC000442771038 382953194 /nfs/dbraw/zinc/95/31/94/382953194.db2.gz OYZGDIMAKCWLEA-RYUDHWBXSA-N 2 0 278.400 2.563 20 0 CFADRP COC1([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)CCCC1 ZINC000421863811 382953613 /nfs/dbraw/zinc/95/36/13/382953613.db2.gz ZAWDNURGYFVXAA-CQSZACIVSA-N 2 0 280.456 2.798 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1C ZINC000442784764 382956305 /nfs/dbraw/zinc/95/63/05/382956305.db2.gz WHMYUTPAQMTDPR-CJNGLKHVSA-N 2 0 288.435 2.984 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cncs1 ZINC000421878433 382957804 /nfs/dbraw/zinc/95/78/04/382957804.db2.gz NHPOMWGYJBYUIG-UNXYVOJBSA-N 2 0 253.415 2.667 20 0 CFADRP COC(=O)c1coc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421880277 382958388 /nfs/dbraw/zinc/95/83/88/382958388.db2.gz QHDYBZWDJJVSLV-XGNXJENSSA-N 2 0 294.395 2.590 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC[NH2+]1 ZINC000578846516 382959930 /nfs/dbraw/zinc/95/99/30/382959930.db2.gz DJKYMAWRJBRDGB-INMHGKMJSA-N 2 0 276.399 2.945 20 0 CFADRP COc1nc2ccccc2cc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000534272414 382919917 /nfs/dbraw/zinc/91/99/17/382919917.db2.gz GXJLKUMPFHIJFT-CZUORRHYSA-N 2 0 299.418 2.816 20 0 CFADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000236809968 382921143 /nfs/dbraw/zinc/92/11/43/382921143.db2.gz RZXSINNCHVEVNJ-MRXNPFEDSA-N 2 0 289.423 2.738 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000578442793 382921341 /nfs/dbraw/zinc/92/13/41/382921341.db2.gz ILKXETRIJFNQAW-UHFFFAOYSA-N 2 0 296.418 2.575 20 0 CFADRP Cc1cc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc(C)n1 ZINC000421893164 382963225 /nfs/dbraw/zinc/96/32/25/382963225.db2.gz WVPDKCNXDCLAKX-SGIREYDYSA-N 2 0 261.413 2.517 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442918599 382963277 /nfs/dbraw/zinc/96/32/77/382963277.db2.gz DARYRRRNPHGWHE-GOEBONIOSA-N 2 0 268.445 2.500 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000578558460 382932381 /nfs/dbraw/zinc/93/23/81/382932381.db2.gz OXQTUGNQCZMYEQ-VNQPRFMTSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782288 532963169 /nfs/dbraw/zinc/96/31/69/532963169.db2.gz GGHYYNQAWXJIEM-CVEARBPZSA-N 3 0 289.467 2.888 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)n1 ZINC000422641297 382974448 /nfs/dbraw/zinc/97/44/48/382974448.db2.gz XKOSHPABNFVAFH-GHJWDPDVSA-N 2 0 261.413 2.504 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422703780 382975176 /nfs/dbraw/zinc/97/51/76/382975176.db2.gz IQRNZUURJUBKAD-GDBMZVCRSA-N 2 0 260.425 2.990 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422700028 382975207 /nfs/dbraw/zinc/97/52/07/382975207.db2.gz FVEWMRSMFUSUSD-HYVNUMGLSA-N 2 0 282.472 2.828 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422736809 382975842 /nfs/dbraw/zinc/97/58/42/382975842.db2.gz GVKHAIBWXLWYDF-MSOLQXFVSA-N 3 0 289.467 2.888 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCCCCC2)CC[NH2+]CC1 ZINC000422727516 382976364 /nfs/dbraw/zinc/97/63/64/382976364.db2.gz CURORIVHTSAPCU-AWEZNQCLSA-N 2 0 296.455 2.620 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000422709819 382976758 /nfs/dbraw/zinc/97/67/58/382976758.db2.gz ZUNRMOPBCQLDQQ-LSDHHAIUSA-N 2 0 289.467 2.539 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000422766883 382977750 /nfs/dbraw/zinc/97/77/50/382977750.db2.gz RLAVCOWUYBPHMP-YWPYICTPSA-N 2 0 283.847 2.658 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000422759081 382978096 /nfs/dbraw/zinc/97/80/96/382978096.db2.gz KTCNEQYSHMKVCG-LSDHHAIUSA-N 2 0 269.477 2.604 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]2CCCO[C@@H]21 ZINC000422776038 382978779 /nfs/dbraw/zinc/97/87/79/382978779.db2.gz BYPMWFZOPCNLFA-JJTUDDRGSA-N 2 0 286.419 2.924 20 0 CFADRP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422781677 382979578 /nfs/dbraw/zinc/97/95/78/382979578.db2.gz MFZFRDCLEBCJCZ-YOEHRIQHSA-N 2 0 260.425 2.985 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422775932 382979806 /nfs/dbraw/zinc/97/98/06/382979806.db2.gz CNCGKJIHSKGLFK-KEYYUXOJSA-N 2 0 276.424 2.746 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422815208 382982261 /nfs/dbraw/zinc/98/22/61/382982261.db2.gz XGQUZLUSMJWXNC-BZSNNMDCSA-N 2 0 288.435 2.947 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841731 382983127 /nfs/dbraw/zinc/98/31/27/382983127.db2.gz WSWUAPFUIFGSRU-RDHHWEPZSA-N 3 0 281.488 2.747 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000445400669 382983759 /nfs/dbraw/zinc/98/37/59/382983759.db2.gz GPDKAJBKFGMVMM-CVEARBPZSA-N 2 0 270.461 2.854 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000422862528 382984040 /nfs/dbraw/zinc/98/40/40/382984040.db2.gz PYRYOQJQKFSROF-VHSSKADRSA-N 2 0 285.435 2.738 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422882395 382985152 /nfs/dbraw/zinc/98/51/52/382985152.db2.gz ZZDMLYUOPQKBKC-ONIAQPFYSA-N 2 0 290.451 2.519 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893619 382986695 /nfs/dbraw/zinc/98/66/95/382986695.db2.gz AKWHFBKEJPGJBV-RYUDHWBXSA-N 2 0 250.361 2.573 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422922002 382988388 /nfs/dbraw/zinc/98/83/88/382988388.db2.gz ROYZFRPXBFPHAJ-JONQDZQNSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422913900 382988445 /nfs/dbraw/zinc/98/84/45/382988445.db2.gz ZJHOFFGFBFPHAS-KBAYOESNSA-N 2 0 289.467 2.757 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCC[NH3+])N1CCCCCC1 ZINC000422968305 382989519 /nfs/dbraw/zinc/98/95/19/382989519.db2.gz WGIWDSHYSOLXAG-JKSUJKDBSA-N 2 0 269.477 2.604 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])Oc1ccccc1 ZINC000422977450 382992327 /nfs/dbraw/zinc/99/23/27/382992327.db2.gz FMDRSXJFKCUYKR-KBMXLJTQSA-N 2 0 262.397 2.704 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422977462 382993632 /nfs/dbraw/zinc/99/36/32/382993632.db2.gz FMEAPEXXTCSNNF-SQNIBIBYSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Nc1ccccc1 ZINC000422980559 382994152 /nfs/dbraw/zinc/99/41/52/382994152.db2.gz QJTHBQICSSTLIR-LZWOXQAQSA-N 2 0 263.429 2.839 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422981724 382994809 /nfs/dbraw/zinc/99/48/09/382994809.db2.gz PDRLPZIRWIJYFP-GBESFXJTSA-N 2 0 284.447 2.912 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000422980811 382995072 /nfs/dbraw/zinc/99/50/72/382995072.db2.gz RFXJEYGGPTYSRJ-CXAGYDPISA-N 2 0 293.455 2.687 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422981217 382995782 /nfs/dbraw/zinc/99/57/82/382995782.db2.gz SGRRJJDTPIJMMJ-IXDOHACOSA-N 2 0 276.424 2.750 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H](C)[C@H]1OC ZINC000422984322 382996404 /nfs/dbraw/zinc/99/64/04/382996404.db2.gz AIFBABOHDWUILK-OPKDVZQQSA-N 2 0 282.472 2.933 20 0 CFADRP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422987196 382997893 /nfs/dbraw/zinc/99/78/93/382997893.db2.gz FRIQIYXTIJGZFL-KKUMJFAQSA-N 2 0 296.480 2.990 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000422990730 382998734 /nfs/dbraw/zinc/99/87/34/382998734.db2.gz ONZQLXSBHDNUJQ-LVQVYYBASA-N 2 0 268.445 2.567 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc2c1COC2 ZINC000422988038 382998938 /nfs/dbraw/zinc/99/89/38/382998938.db2.gz HXHUJZACFOKGLX-RCCFBDPRSA-N 2 0 286.419 2.727 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423023899 383017865 /nfs/dbraw/zinc/01/78/65/383017865.db2.gz KSGCJHBWZHGFAR-XHDPSFHLSA-N 2 0 250.361 2.920 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422992701 383000407 /nfs/dbraw/zinc/00/04/07/383000407.db2.gz DDYYMNWDMHCFLD-WMLDXEAASA-N 2 0 276.424 2.606 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422992698 383000528 /nfs/dbraw/zinc/00/05/28/383000528.db2.gz DDYYMNWDMHCFLD-PBHICJAKSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000422996283 383001048 /nfs/dbraw/zinc/00/10/48/383001048.db2.gz SOCSNLLBGZKHIR-RVSPLBMKSA-N 2 0 291.439 2.703 20 0 CFADRP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000422994096 383001418 /nfs/dbraw/zinc/00/14/18/383001418.db2.gz GUPDAEKWCUKOTH-BMGDILEWSA-N 2 0 288.435 2.883 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000422996195 383001657 /nfs/dbraw/zinc/00/16/57/383001657.db2.gz LGUUSYPRBDTSOC-BPUTZDHNSA-N 2 0 270.461 2.805 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000422994205 383001899 /nfs/dbraw/zinc/00/18/99/383001899.db2.gz UWLAGEDIDVUGQF-OPQOLIRYSA-N 2 0 288.435 2.984 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000549225382 383002249 /nfs/dbraw/zinc/00/22/49/383002249.db2.gz JSQXTKMJGALPTE-KRWDZBQOSA-N 2 0 295.515 2.817 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)OC ZINC000422996679 383002631 /nfs/dbraw/zinc/00/26/31/383002631.db2.gz MTPFINQDDSCFNM-AEGPPILISA-N 2 0 256.434 2.558 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)OC ZINC000422996681 383003376 /nfs/dbraw/zinc/00/33/76/383003376.db2.gz MTPFINQDDSCFNM-CFVMTHIKSA-N 2 0 256.434 2.558 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000338361446 383003659 /nfs/dbraw/zinc/00/36/59/383003659.db2.gz BVLKYBPPIIETRE-JKSUJKDBSA-N 2 0 270.461 2.855 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000579341810 383004334 /nfs/dbraw/zinc/00/43/34/383004334.db2.gz ZAWGMFQDRUHODG-QGZVFWFLSA-N 2 0 287.451 2.651 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000579342104 383004952 /nfs/dbraw/zinc/00/49/52/383004952.db2.gz LAUSJJNJZXWZDZ-AWEZNQCLSA-N 2 0 264.413 2.606 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423003491 383005508 /nfs/dbraw/zinc/00/55/08/383005508.db2.gz MIWRBMXKVLOLOR-JONQDZQNSA-N 2 0 282.472 2.540 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423004462 383007564 /nfs/dbraw/zinc/00/75/64/383007564.db2.gz PBTZBWSFMDOMPV-XYPWUTKMSA-N 2 0 288.435 2.845 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccccc1Cl ZINC000423005949 383008952 /nfs/dbraw/zinc/00/89/52/383008952.db2.gz TUYZJHRSCBLHRK-LBPRGKRZSA-N 2 0 270.804 2.826 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000423006518 383009013 /nfs/dbraw/zinc/00/90/13/383009013.db2.gz VPAPLJMUYCOBBL-RDJZCZTQSA-N 2 0 290.451 2.741 20 0 CFADRP CC(C)CSCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423009303 383009388 /nfs/dbraw/zinc/00/93/88/383009388.db2.gz COACLTONAPYWMJ-HOCLYGCPSA-N 2 0 280.481 2.924 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423009029 383010328 /nfs/dbraw/zinc/01/03/28/383010328.db2.gz BQUIEYPRCDUJKI-ROUUACIJSA-N 2 0 272.436 2.899 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423009027 383010348 /nfs/dbraw/zinc/01/03/48/383010348.db2.gz BQUIEYPRCDUJKI-MSOLQXFVSA-N 2 0 272.436 2.899 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423014226 383011021 /nfs/dbraw/zinc/01/10/21/383011021.db2.gz OLVNDFAIZVPVBA-KBXCAEBGSA-N 2 0 272.436 2.769 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000423013439 383011452 /nfs/dbraw/zinc/01/14/52/383011452.db2.gz MSUCPHUCGNFGMD-BLLLJJGKSA-N 2 0 294.389 2.974 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423015921 383012861 /nfs/dbraw/zinc/01/28/61/383012861.db2.gz LWSINPZUVCPCHJ-RHSMWYFYSA-N 2 0 260.425 2.998 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCC1 ZINC000423015158 383013052 /nfs/dbraw/zinc/01/30/52/383013052.db2.gz KATQLGQCXFGLRR-XOKHGSTOSA-N 2 0 288.435 2.910 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000423017426 383014040 /nfs/dbraw/zinc/01/40/40/383014040.db2.gz WLUWJIIHKRUNCR-RRFJBIMHSA-N 2 0 286.423 2.708 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423016938 383014290 /nfs/dbraw/zinc/01/42/90/383014290.db2.gz UYSKMRUFYFZBLK-YXAMBPQSSA-N 2 0 295.858 2.801 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423017037 383014319 /nfs/dbraw/zinc/01/43/19/383014319.db2.gz NUOWPCVJVABGHO-OLZOCXBDSA-N 2 0 252.427 2.706 20 0 CFADRP CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423017243 383014370 /nfs/dbraw/zinc/01/43/70/383014370.db2.gz OEJLSDWFYHJIQN-CMPLNLGQSA-N 2 0 267.442 2.641 20 0 CFADRP CC[NH+](CC)CCCN(C)Cc1cccc(OC)c1 ZINC000338264335 382967724 /nfs/dbraw/zinc/96/77/24/382967724.db2.gz MFYKNVGBMSBHQM-UHFFFAOYSA-N 2 0 264.413 2.859 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423046752 383028976 /nfs/dbraw/zinc/02/89/76/383028976.db2.gz UMNBGXJRIKTNMP-SNVBAGLBSA-N 2 0 274.330 2.754 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423048697 383030326 /nfs/dbraw/zinc/03/03/26/383030326.db2.gz IKFZJPAGBOAGPP-IAGOWNOFSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000579582940 383030971 /nfs/dbraw/zinc/03/09/71/383030971.db2.gz UUUNLMBKYBEXOA-GFCCVEGCSA-N 2 0 297.830 2.598 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000423050592 383032022 /nfs/dbraw/zinc/03/20/22/383032022.db2.gz MNWYYWRLLZYNIN-BDAKNGLRSA-N 2 0 275.318 2.840 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000423054482 383033019 /nfs/dbraw/zinc/03/30/19/383033019.db2.gz UQVOZRZSYJOWBB-NOOOWODRSA-N 2 0 264.335 2.695 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423056309 383034199 /nfs/dbraw/zinc/03/41/99/383034199.db2.gz XYWVRPWMZWQHFF-AJNGGQMLSA-N 2 0 268.445 2.699 20 0 CFADRP CCSc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000423062162 383036490 /nfs/dbraw/zinc/03/64/90/383036490.db2.gz MKJZBHNBULOWBZ-KGLIPLIRSA-N 2 0 279.453 2.801 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)CCC[NH3+])N(C)C ZINC000423063863 383038052 /nfs/dbraw/zinc/03/80/52/383038052.db2.gz XNOUULMFEONSGM-INMHGKMJSA-N 2 0 277.456 2.703 20 0 CFADRP COc1c2ccccc2oc1C[NH2+][C@H](C)CCC[NH3+] ZINC000423069477 383039750 /nfs/dbraw/zinc/03/97/50/383039750.db2.gz LQZCZERYLIGFAC-LLVKDONJSA-N 2 0 262.353 2.658 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423072942 383040821 /nfs/dbraw/zinc/04/08/21/383040821.db2.gz QSJLHWFURSNLOM-CHWSQXEVSA-N 2 0 284.350 2.548 20 0 CFADRP C1C(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1[NH+]1CCCCC1 ZINC000423103660 383042433 /nfs/dbraw/zinc/04/24/33/383042433.db2.gz XTGQXAQXKLPSJO-KWXGJIJISA-N 2 0 291.483 2.514 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000423096077 383042501 /nfs/dbraw/zinc/04/25/01/383042501.db2.gz NZMOFPAQJFLKFF-GUBZILKMSA-N 2 0 286.217 2.621 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000423104446 383042655 /nfs/dbraw/zinc/04/26/55/383042655.db2.gz BKNZDDHFRWEPGL-STQMWFEESA-N 2 0 260.372 2.919 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000423117581 383042692 /nfs/dbraw/zinc/04/26/92/383042692.db2.gz WCGBLNMVIRJSMC-UHFFFAOYSA-N 2 0 260.372 2.919 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000423124963 383043472 /nfs/dbraw/zinc/04/34/72/383043472.db2.gz POENIOFLVROCSE-PBHICJAKSA-N 2 0 288.435 2.798 20 0 CFADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000551532387 383043593 /nfs/dbraw/zinc/04/35/93/383043593.db2.gz AXDGVWCILXAGAH-QGZVFWFLSA-N 2 0 290.451 2.948 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423126818 383043909 /nfs/dbraw/zinc/04/39/09/383043909.db2.gz OVYSEOKVGOECLJ-MXASKKJJSA-N 2 0 288.435 2.950 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423139441 383045001 /nfs/dbraw/zinc/04/50/01/383045001.db2.gz KQULKOYRHOJSPP-YOEHRIQHSA-N 2 0 258.409 2.850 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c2ccccc2O1 ZINC000423164597 383046694 /nfs/dbraw/zinc/04/66/94/383046694.db2.gz XCYODVDKHOANHO-SJXGUFTOSA-N 2 0 274.408 2.876 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2ccnn2-c2ccccc2)CC1 ZINC000448212866 383048056 /nfs/dbraw/zinc/04/80/56/383048056.db2.gz MIAOWHOKSPCKEU-UHFFFAOYSA-N 2 0 298.434 2.788 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000423185592 383048800 /nfs/dbraw/zinc/04/88/00/383048800.db2.gz NYSUGMCCFLESRD-UAGQMJEPSA-N 2 0 291.414 2.654 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448222395 383049564 /nfs/dbraw/zinc/04/95/64/383049564.db2.gz INCFRICIDJGBDW-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP c1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423209705 383050392 /nfs/dbraw/zinc/05/03/92/383050392.db2.gz JILVEWQLTGDDFZ-WBVHZDCISA-N 2 0 258.409 2.597 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000423210050 383050519 /nfs/dbraw/zinc/05/05/19/383050519.db2.gz JMURYSCVKMXHNL-CQSZACIVSA-N 2 0 258.409 2.523 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CC[C@H](C)[NH3+] ZINC000423225328 383051522 /nfs/dbraw/zinc/05/15/22/383051522.db2.gz MHFHWHGVFIXOQV-WDEREUQCSA-N 2 0 256.340 2.613 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423239900 383052907 /nfs/dbraw/zinc/05/29/07/383052907.db2.gz BURHAGYZEBOOHX-CZUORRHYSA-N 2 0 258.409 2.998 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423257477 383053226 /nfs/dbraw/zinc/05/32/26/383053226.db2.gz JODOXQSKJLUMTO-OLZOCXBDSA-N 2 0 279.453 2.808 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000423266496 383054233 /nfs/dbraw/zinc/05/42/33/383054233.db2.gz DBUODTLYMNDDFY-CZUORRHYSA-N 2 0 264.413 2.837 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423391720 383079383 /nfs/dbraw/zinc/07/93/83/383079383.db2.gz PPGGCQUXWOLDRM-ZOWXZIJZSA-N 2 0 260.381 2.542 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000338797577 383055299 /nfs/dbraw/zinc/05/52/99/383055299.db2.gz YGKYBHKLLUPJOA-ROUUACIJSA-N 2 0 296.499 2.884 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1(C)C ZINC000423274156 383055898 /nfs/dbraw/zinc/05/58/98/383055898.db2.gz LLRIVZUXYZWVEQ-MGPQQGTHSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423392219 383079452 /nfs/dbraw/zinc/07/94/52/383079452.db2.gz LLTADJVHHWZMRF-DZUCGIPZSA-N 2 0 258.409 2.910 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000423326640 383058182 /nfs/dbraw/zinc/05/81/82/383058182.db2.gz JLDUNYZSCJICDJ-ZDUSSCGKSA-N 2 0 288.313 2.901 20 0 CFADRP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000423353657 383060653 /nfs/dbraw/zinc/06/06/53/383060653.db2.gz BVSUZDZXVWILIO-KBAYOESNSA-N 2 0 288.435 2.886 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1F ZINC000423352868 383061143 /nfs/dbraw/zinc/06/11/43/383061143.db2.gz ANNAYSFFMUTJAV-DGCLKSJQSA-N 2 0 266.360 2.627 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)c1OC ZINC000423359697 383063317 /nfs/dbraw/zinc/06/33/17/383063317.db2.gz VGPCOLNWZKTVFE-CYBMUJFWSA-N 2 0 290.407 2.583 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423360426 383063326 /nfs/dbraw/zinc/06/33/26/383063326.db2.gz FMCZWUAOQISOGC-VNQPRFMTSA-N 2 0 261.413 2.652 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000423363686 383064768 /nfs/dbraw/zinc/06/47/68/383064768.db2.gz ASXWBNWOYPSAER-JDFRZJQESA-N 2 0 274.408 2.803 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423321054 532967649 /nfs/dbraw/zinc/96/76/49/532967649.db2.gz FXULMXWJCAMJCQ-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000423369494 383067285 /nfs/dbraw/zinc/06/72/85/383067285.db2.gz DXKDGDKANZQLRZ-IHRRRGAJSA-N 2 0 292.423 2.933 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423368104 383067303 /nfs/dbraw/zinc/06/73/03/383067303.db2.gz CXNRPTGAMMVXSI-ZQDZILKHSA-N 2 0 268.445 2.830 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423371277 383068720 /nfs/dbraw/zinc/06/87/20/383068720.db2.gz QCYUXZMVPJJGKH-VGWMRTNUSA-N 2 0 296.455 2.748 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000552275105 383080246 /nfs/dbraw/zinc/08/02/46/383080246.db2.gz LAXRGPVBDKHEIH-QYZOEREBSA-N 2 0 284.447 2.864 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000423370530 383069149 /nfs/dbraw/zinc/06/91/49/383069149.db2.gz GYCFSXNZYJPMEK-PBFPGSCMSA-N 2 0 258.409 2.966 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423373526 383070343 /nfs/dbraw/zinc/07/03/43/383070343.db2.gz HCVJDJDEPVOIHY-WDMOLILDSA-N 2 0 278.371 2.552 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000423376819 383071415 /nfs/dbraw/zinc/07/14/15/383071415.db2.gz LGGFCBAUBIPOJL-GRDNDAEWSA-N 2 0 298.434 2.972 20 0 CFADRP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000579979047 383073345 /nfs/dbraw/zinc/07/33/45/383073345.db2.gz OFRCUNOXYZWGTE-XDNAFOTISA-N 2 0 285.435 2.766 20 0 CFADRP COC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000423379369 383073536 /nfs/dbraw/zinc/07/35/36/383073536.db2.gz XKLMKPKUAZPKOB-ILXRZTDVSA-N 2 0 282.815 2.887 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C2CC2)cc1 ZINC000423382143 383074764 /nfs/dbraw/zinc/07/47/64/383074764.db2.gz DGNMQUSULBAFHI-QGTPRVQTSA-N 2 0 272.436 2.904 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423385179 383076318 /nfs/dbraw/zinc/07/63/18/383076318.db2.gz GLECEJIWSCCLKZ-LMSBXDPUSA-N 2 0 288.435 2.742 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](C)C2)C12CCCCC2 ZINC000423385495 383076362 /nfs/dbraw/zinc/07/63/62/383076362.db2.gz QUVJMLYURSJWOW-FXUDXRNXSA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246463376 383076750 /nfs/dbraw/zinc/07/67/50/383076750.db2.gz QAOCADCOSPDKIW-UTSKFRMZSA-N 2 0 282.472 2.756 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423032634 383021245 /nfs/dbraw/zinc/02/12/45/383021245.db2.gz FTTIQJKDBCBMNA-GJZGRUSLSA-N 2 0 274.408 2.586 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)[C@@H](C)C1 ZINC000246478442 383077662 /nfs/dbraw/zinc/07/76/62/383077662.db2.gz RBCCUISPCZNWQV-QAETUUGQSA-N 2 0 282.472 2.758 20 0 CFADRP COC1CCC(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423032961 383022741 /nfs/dbraw/zinc/02/27/41/383022741.db2.gz FWARNNFQNIZODD-LMPOIIKSSA-N 2 0 268.445 2.702 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000423035307 383022750 /nfs/dbraw/zinc/02/27/50/383022750.db2.gz YRMVJGGURHPSTO-PBHICJAKSA-N 2 0 275.440 2.857 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cccc(C)c2)CC[NH2+]CC1 ZINC000423387213 383077598 /nfs/dbraw/zinc/07/75/98/383077598.db2.gz JUVYFTZTHSWUFW-HNNXBMFYSA-N 2 0 276.424 2.662 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423040292 383024905 /nfs/dbraw/zinc/02/49/05/383024905.db2.gz SZBOBSXOFOGNTL-UONOGXRCSA-N 2 0 276.424 2.832 20 0 CFADRP COC1CCC(CC[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000423041083 383026189 /nfs/dbraw/zinc/02/61/89/383026189.db2.gz VXGDWHUUFPBLII-NFOMZHRRSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423041518 383026380 /nfs/dbraw/zinc/02/63/80/383026380.db2.gz JGODSLMHKOFMMB-IINYFYTJSA-N 2 0 286.341 2.624 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2cc(F)c(F)c(F)c2)CC1 ZINC000423042988 383027624 /nfs/dbraw/zinc/02/76/24/383027624.db2.gz MVKKIBDDRCPASL-UHFFFAOYSA-N 2 0 286.341 2.754 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491323 383119537 /nfs/dbraw/zinc/11/95/37/383119537.db2.gz ZANDPQDWMMVJBW-DOMZBBRYSA-N 2 0 292.398 2.943 20 0 CFADRP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000423492109 383119980 /nfs/dbraw/zinc/11/99/80/383119980.db2.gz LSQQXPPDONDGIP-TUAOUCFPSA-N 2 0 296.386 2.621 20 0 CFADRP CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccn1 ZINC000423493904 383120070 /nfs/dbraw/zinc/12/00/70/383120070.db2.gz RHRGPYVBMMAPNN-DZKIICNBSA-N 2 0 261.413 2.886 20 0 CFADRP Cn1ncc2c1CCC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423494554 383120498 /nfs/dbraw/zinc/12/04/98/383120498.db2.gz AUYVHVCRXHNCCV-IAGOWNOFSA-N 2 0 298.434 2.867 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000423493399 383120504 /nfs/dbraw/zinc/12/05/04/383120504.db2.gz PWXLAGOPUFILLQ-JBLDHEPKSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)C1CCOCC1 ZINC000423498610 383122527 /nfs/dbraw/zinc/12/25/27/383122527.db2.gz IINWGGUOVOITSN-YOEHRIQHSA-N 2 0 276.424 2.871 20 0 CFADRP COC(=O)c1csc([C@H](C)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000423502678 383123607 /nfs/dbraw/zinc/12/36/07/383123607.db2.gz MEMQXUHTFITDAK-GWCFXTLKSA-N 2 0 296.436 2.703 20 0 CFADRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCCO1 ZINC000423500986 383123628 /nfs/dbraw/zinc/12/36/28/383123628.db2.gz CKAXJSBXLLUILX-IMJJTQAJSA-N 2 0 262.397 2.624 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000554071229 383123903 /nfs/dbraw/zinc/12/39/03/383123903.db2.gz IZIFMUQKHMFUJT-FUHWJXTLSA-N 2 0 290.451 2.948 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423520196 383125177 /nfs/dbraw/zinc/12/51/77/383125177.db2.gz QZPZWWGZSSZEBO-IRXDYDNUSA-N 2 0 298.434 2.867 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423515853 383125228 /nfs/dbraw/zinc/12/52/28/383125228.db2.gz VXKBUYRLYAPHJL-BHUNQDJPSA-N 2 0 293.499 2.617 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423543725 383126010 /nfs/dbraw/zinc/12/60/10/383126010.db2.gz HPFFAPCWBBEDFA-ZHALLVOQSA-N 2 0 284.447 2.912 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)C1CCC(F)(F)CC1 ZINC000423543365 383126355 /nfs/dbraw/zinc/12/63/55/383126355.db2.gz BRBMCEGVPDYWMV-NSHDSACASA-N 2 0 260.372 2.932 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423540804 383126366 /nfs/dbraw/zinc/12/63/66/383126366.db2.gz QSCIWSAJSBNTMF-LLVKDONJSA-N 2 0 266.410 2.717 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246982576 383128413 /nfs/dbraw/zinc/12/84/13/383128413.db2.gz VXZJUEXOOXFHSB-FUHWJXTLSA-N 2 0 294.483 2.998 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC2(OC)CCC2)[C@@H](C)C1 ZINC000339038523 383129416 /nfs/dbraw/zinc/12/94/16/383129416.db2.gz XTILPEQRGQUOGU-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCNc2ccccn2)[C@@H](C)C1 ZINC000247000504 383130249 /nfs/dbraw/zinc/13/02/49/383130249.db2.gz LOGYXKKFZPWTCV-JKSUJKDBSA-N 3 0 290.455 2.594 20 0 CFADRP Fc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000339070219 383138189 /nfs/dbraw/zinc/13/81/89/383138189.db2.gz XVRSGFNHKRJOCY-UONOGXRCSA-N 2 0 296.361 2.560 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339069697 383138299 /nfs/dbraw/zinc/13/82/99/383138299.db2.gz ZHASOZHCWZVNOX-FVQBIDKESA-N 2 0 292.398 2.809 20 0 CFADRP COc1cc(C)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449031724 383142494 /nfs/dbraw/zinc/14/24/94/383142494.db2.gz VWOJJRCGEOQBRQ-GOEBONIOSA-N 2 0 276.424 2.918 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000423395616 383081207 /nfs/dbraw/zinc/08/12/07/383081207.db2.gz RDXZJGBTPUHRTC-OAHLLOKOSA-N 2 0 290.451 2.916 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000423401234 383083366 /nfs/dbraw/zinc/08/33/66/383083366.db2.gz XAVDVILRFKJBLU-RDBSUJKOSA-N 2 0 292.423 2.803 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423402158 383083495 /nfs/dbraw/zinc/08/34/95/383083495.db2.gz WHFSHFWLFJNMEM-WBAXXEDZSA-N 2 0 298.434 2.852 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2sccc2C)CC[NH2+]CC1 ZINC000423405371 383085056 /nfs/dbraw/zinc/08/50/56/383085056.db2.gz ZCILLPYBJLCNSM-CYBMUJFWSA-N 2 0 282.453 2.723 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423407951 383086592 /nfs/dbraw/zinc/08/65/92/383086592.db2.gz WQMDGDSGMAPXMY-WLGNDBIMSA-N 2 0 258.409 2.766 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)C2CCCCCC2)CCC[NH2+]1 ZINC000423412610 383087408 /nfs/dbraw/zinc/08/74/08/383087408.db2.gz IDDIOYABGOBTDW-GOEBONIOSA-N 2 0 268.445 2.704 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)C(C)(C)c2ccccc2)CCC[NH2+]1 ZINC000423417627 383090139 /nfs/dbraw/zinc/09/01/39/383090139.db2.gz HGMLXBLRWGHOLI-CRAIPNDOSA-N 2 0 290.451 2.711 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000423425280 383091496 /nfs/dbraw/zinc/09/14/96/383091496.db2.gz DKAMRUQLNSQBFM-DDTOSNHZSA-N 2 0 279.453 2.799 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000423429770 383092962 /nfs/dbraw/zinc/09/29/62/383092962.db2.gz KOJPGYHFZKJRDY-QWRGUYRKSA-N 2 0 284.425 2.703 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000423430264 383093616 /nfs/dbraw/zinc/09/36/16/383093616.db2.gz KUZJMVOUSGNZQF-GXTWGEPZSA-N 2 0 279.432 2.533 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc12 ZINC000423430558 383093747 /nfs/dbraw/zinc/09/37/47/383093747.db2.gz LBROEUQHTMQAPH-YRINGNFDSA-N 2 0 282.387 2.717 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423433190 383094590 /nfs/dbraw/zinc/09/45/90/383094590.db2.gz NABCHDXFMLWWIK-LVQVYYBASA-N 2 0 268.445 2.689 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438249 383096210 /nfs/dbraw/zinc/09/62/10/383096210.db2.gz MYBWBVPXOYRCCE-GVDBMIGSSA-N 2 0 286.419 2.660 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cc1Cl ZINC000423443575 383098100 /nfs/dbraw/zinc/09/81/00/383098100.db2.gz VWSOOTLIJIOIJD-WDEREUQCSA-N 2 0 285.819 2.912 20 0 CFADRP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCN2 ZINC000423443929 383098245 /nfs/dbraw/zinc/09/82/45/383098245.db2.gz LAPVGEMLZMGIDL-DLBZAZTESA-N 2 0 285.435 2.761 20 0 CFADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423445108 383098997 /nfs/dbraw/zinc/09/89/97/383098997.db2.gz XKVBZOPETQDFGV-LSDHHAIUSA-N 2 0 291.439 2.535 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423448369 383099748 /nfs/dbraw/zinc/09/97/48/383099748.db2.gz QDRGLSUTXTYDAM-SDADXPQNSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423447594 383099788 /nfs/dbraw/zinc/09/97/88/383099788.db2.gz ZQROTEVYONSFNL-DMVVEVTLSA-N 2 0 250.430 2.789 20 0 CFADRP CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)CCC[NH3+])CCC2 ZINC000423449973 383100143 /nfs/dbraw/zinc/10/01/43/383100143.db2.gz GYOLKCHKYDGBMK-MNOVXSKESA-N 2 0 267.442 2.800 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000584420988 383101760 /nfs/dbraw/zinc/10/17/60/383101760.db2.gz YZCBYFGJNJBAAY-HZMBPMFUSA-N 2 0 297.240 2.797 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000423455408 383101809 /nfs/dbraw/zinc/10/18/09/383101809.db2.gz FBLNDFMKISGTTN-AVGNSLFASA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000423456747 383103348 /nfs/dbraw/zinc/10/33/48/383103348.db2.gz OFVJMPXNPCPWGR-OLZOCXBDSA-N 2 0 264.417 2.776 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423461871 383104271 /nfs/dbraw/zinc/10/42/71/383104271.db2.gz CYBICGVVIMGMBU-DMDPSCGWSA-N 2 0 296.436 2.703 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000423468388 383106894 /nfs/dbraw/zinc/10/68/94/383106894.db2.gz YHOWOZLXGTYSEZ-KGLIPLIRSA-N 2 0 286.423 2.865 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000423467795 383107322 /nfs/dbraw/zinc/10/73/22/383107322.db2.gz UMCXKBVPVMIXBH-SGIREYDYSA-N 2 0 262.372 2.920 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000423470604 383108215 /nfs/dbraw/zinc/10/82/15/383108215.db2.gz LMGAIMIODOIUTG-OBJOEFQTSA-N 2 0 278.396 2.569 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCOC2CCC2)CC1 ZINC000584487414 383108341 /nfs/dbraw/zinc/10/83/41/383108341.db2.gz DHFGNQORWAWSPU-UHFFFAOYSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423471798 383108598 /nfs/dbraw/zinc/10/85/98/383108598.db2.gz QAAPNPFEVKZZGZ-SCRDCRAPSA-N 2 0 250.386 2.514 20 0 CFADRP CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246817662 383108881 /nfs/dbraw/zinc/10/88/81/383108881.db2.gz BBCAKOYVZKLYET-CABCVRRESA-N 2 0 278.444 2.847 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423473476 383109387 /nfs/dbraw/zinc/10/93/87/383109387.db2.gz HGLCMFZVEIXLRK-FGTMMUONSA-N 2 0 287.451 2.978 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCOC1 ZINC000246835263 383109992 /nfs/dbraw/zinc/10/99/92/383109992.db2.gz BVXWWPLOKCFLSE-YYIAUSFCSA-N 2 0 282.472 2.759 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423474878 383110703 /nfs/dbraw/zinc/11/07/03/383110703.db2.gz HTTLEHBZWBKJAY-ZBFHGGJFSA-N 2 0 262.372 2.935 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000247116742 383144928 /nfs/dbraw/zinc/14/49/28/383144928.db2.gz MATXYEOIDGITPT-IAGOWNOFSA-N 2 0 273.424 2.657 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423476098 383111533 /nfs/dbraw/zinc/11/15/33/383111533.db2.gz QLQUYPDOOBSZST-GMXVVIOVSA-N 2 0 267.804 2.903 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423479699 383112301 /nfs/dbraw/zinc/11/23/01/383112301.db2.gz MNBHTKZRCFGHGY-BBRMVZONSA-N 2 0 289.423 2.828 20 0 CFADRP C(C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C[C@@H]1CCC[NH2+]1 ZINC000423478778 383112449 /nfs/dbraw/zinc/11/24/49/383112449.db2.gz LMAQATDONSESCC-LUKYLMHMSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423483047 383114352 /nfs/dbraw/zinc/11/43/52/383114352.db2.gz PRMQFGLWVVZVKK-HUUCEWRRSA-N 2 0 275.440 2.935 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423484015 383115492 /nfs/dbraw/zinc/11/54/92/383115492.db2.gz YCNSTHCKQQDNFR-MNOVXSKESA-N 2 0 256.340 2.613 20 0 CFADRP COC1(CC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCC1 ZINC000339006064 383118669 /nfs/dbraw/zinc/11/86/69/383118669.db2.gz QJOANFBRMOEBNM-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)cc(F)c1 ZINC000423492030 383118887 /nfs/dbraw/zinc/11/88/87/383118887.db2.gz LEWCQNXHDDDYGL-PKFCDNJMSA-N 2 0 254.324 2.743 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000449094226 383172796 /nfs/dbraw/zinc/17/27/96/383172796.db2.gz RDEIEADCPHTKJS-BRWVUGGUSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449103588 383176945 /nfs/dbraw/zinc/17/69/45/383176945.db2.gz QXFYMRRAGGWQIS-HRCADAONSA-N 2 0 294.439 2.690 20 0 CFADRP CC(C)n1cncc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000424130222 383185787 /nfs/dbraw/zinc/18/57/87/383185787.db2.gz HEUARHZSOJPHRM-UHFFFAOYSA-N 2 0 286.423 2.815 20 0 CFADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424152907 383191793 /nfs/dbraw/zinc/19/17/93/383191793.db2.gz JGPSYTXYUBEVHD-HOCLYGCPSA-N 2 0 297.487 2.521 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449271244 383192117 /nfs/dbraw/zinc/19/21/17/383192117.db2.gz SKGLQDGTZMWPIJ-JKSUJKDBSA-N 2 0 290.451 2.707 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000518339202 383194917 /nfs/dbraw/zinc/19/49/17/383194917.db2.gz VCKOZDSDCHPMGC-AGIUHOORSA-N 2 0 252.427 2.657 20 0 CFADRP Cc1cccc(CC[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000449288207 383201201 /nfs/dbraw/zinc/20/12/01/383201201.db2.gz YETOJNNUNGZDGG-QGZVFWFLSA-N 2 0 290.451 2.628 20 0 CFADRP c1c2cccnc2oc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000449288838 383201285 /nfs/dbraw/zinc/20/12/85/383201285.db2.gz OODGYVOBYIWBSL-UHFFFAOYSA-N 2 0 285.391 2.792 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@@H](C)C1 ZINC000248054594 383208808 /nfs/dbraw/zinc/20/88/08/383208808.db2.gz XBVBDPLWRBKJBI-RDJZCZTQSA-N 2 0 276.424 2.775 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC000449302757 383208997 /nfs/dbraw/zinc/20/89/97/383208997.db2.gz KSIDCDPKZVHGDE-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000566791117 383211030 /nfs/dbraw/zinc/21/10/30/383211030.db2.gz RPGJXBWHPUIXLB-ROUUACIJSA-N 2 0 298.434 2.681 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4cccnc4o3)CC[C@@H]21 ZINC000449052252 383154025 /nfs/dbraw/zinc/15/40/25/383154025.db2.gz YUNVAVVNFMYSBT-HOCLYGCPSA-N 2 0 285.391 2.744 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2cn3ccsc3n2)CC1 ZINC000339132667 383160506 /nfs/dbraw/zinc/16/05/06/383160506.db2.gz JQAMWQWIDOUMAB-UHFFFAOYSA-N 2 0 292.452 2.700 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)C1CCCC1 ZINC000449079041 383165036 /nfs/dbraw/zinc/16/50/36/383165036.db2.gz NVPNNOXZVOZPJJ-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449079612 383165543 /nfs/dbraw/zinc/16/55/43/383165543.db2.gz PFWVYDBTZLZIOS-ZFWWWQNUSA-N 2 0 289.423 2.642 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CC(C)(F)C1 ZINC000449379035 383248664 /nfs/dbraw/zinc/24/86/64/383248664.db2.gz YLWZITIZXPXVKL-UHFFFAOYSA-N 2 0 274.343 2.556 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342098421 296344226 /nfs/dbraw/zinc/34/42/26/296344226.db2.gz IJMRQGMGZANINO-ALYAQQCSSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCSCC1 ZINC000422726354 532975536 /nfs/dbraw/zinc/97/55/36/532975536.db2.gz DRMYPIGAIYLUBK-CZUORRHYSA-N 2 0 278.465 2.678 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCCSC)[C@@H](C)C1 ZINC000248591845 383266541 /nfs/dbraw/zinc/26/65/41/383266541.db2.gz ZWISPUIWWJGVAQ-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP COC[C@H]([NH2+]CCc1ccncc1C)c1ccc(C)o1 ZINC000567381817 383270129 /nfs/dbraw/zinc/27/01/29/383270129.db2.gz LZTFPVXVUZSVJI-HNNXBMFYSA-N 2 0 274.364 2.811 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423100676 532975926 /nfs/dbraw/zinc/97/59/26/532975926.db2.gz VLBXTPFKAONEBT-TXCZRRACSA-N 2 0 260.425 2.971 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)Cc1ccccc1SC ZINC000520792885 383273311 /nfs/dbraw/zinc/27/33/11/383273311.db2.gz UGZUUWKFSYRZTL-CYBMUJFWSA-N 2 0 266.454 2.929 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000566843725 383216585 /nfs/dbraw/zinc/21/65/85/383216585.db2.gz SQUZWVBPIBQGDU-CABCVRRESA-N 2 0 262.397 2.692 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000519423580 383216715 /nfs/dbraw/zinc/21/67/15/383216715.db2.gz KNEKWGDZFNVTNZ-CYBMUJFWSA-N 2 0 284.407 2.697 20 0 CFADRP Cc1cccc(CC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000449332712 383222484 /nfs/dbraw/zinc/22/24/84/383222484.db2.gz SBOAXDDKSLMRAU-MSOLQXFVSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1noc(C)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339509699 383224503 /nfs/dbraw/zinc/22/45/03/383224503.db2.gz ZUEZNQMENGREJA-UHFFFAOYSA-N 2 0 265.401 2.647 20 0 CFADRP Cc1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000449344192 383228338 /nfs/dbraw/zinc/22/83/38/383228338.db2.gz PVQJVSCGYJDVNG-UHFFFAOYSA-N 2 0 267.442 2.807 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397894 383235202 /nfs/dbraw/zinc/23/52/02/383235202.db2.gz IJTSJANYIUTFSG-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000449360254 383237570 /nfs/dbraw/zinc/23/75/70/383237570.db2.gz HUSOFRKONYNGET-GZBFAFLISA-N 2 0 276.449 2.806 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634733145 383335252 /nfs/dbraw/zinc/33/52/52/383335252.db2.gz XVJGVHRZCGRDHO-CQSZACIVSA-N 2 0 292.423 2.572 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634732731 383335260 /nfs/dbraw/zinc/33/52/60/383335260.db2.gz NHRIVNBEEHYKPW-HNNXBMFYSA-N 2 0 276.424 2.953 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733272 383335456 /nfs/dbraw/zinc/33/54/56/383335456.db2.gz BKRCZBYLGJKXPK-GOEBONIOSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733861 383337170 /nfs/dbraw/zinc/33/71/70/383337170.db2.gz PVZWCZZMXRVAOF-OWCLPIDISA-N 2 0 281.488 2.665 20 0 CFADRP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000248737122 383285931 /nfs/dbraw/zinc/28/59/31/383285931.db2.gz HNAZTRWMTGSWOY-BZZMCLGOSA-N 2 0 288.435 2.979 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCC2 ZINC000248745762 383287657 /nfs/dbraw/zinc/28/76/57/383287657.db2.gz AYZVLUGPCHTFFJ-GWONACJQSA-N 2 0 278.440 2.549 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000248810659 383292471 /nfs/dbraw/zinc/29/24/71/383292471.db2.gz CKCUPFWWWIWQAV-CJNGLKHVSA-N 2 0 274.408 2.844 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000449436096 383293184 /nfs/dbraw/zinc/29/31/84/383293184.db2.gz CWYKTYISVINREW-UAGQMJEPSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248824754 383293931 /nfs/dbraw/zinc/29/39/31/383293931.db2.gz ZRYOTAJGHKSUOR-WCXIOVBPSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H](O)CC1CCCC1)C[NH+]1CCCCC1 ZINC000567678509 383300802 /nfs/dbraw/zinc/30/08/02/383300802.db2.gz UZSBEIVHMHBRTR-RDJZCZTQSA-N 2 0 282.472 2.639 20 0 CFADRP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1C ZINC000248884451 383302915 /nfs/dbraw/zinc/30/29/15/383302915.db2.gz LRYMMIHZXJQPBO-IRXDYDNUSA-N 2 0 288.435 2.920 20 0 CFADRP CCc1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000568029958 383347615 /nfs/dbraw/zinc/34/76/15/383347615.db2.gz BYGYUQYCWFPMIY-SFHVURJKSA-N 2 0 290.451 2.576 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000248953585 383310460 /nfs/dbraw/zinc/31/04/60/383310460.db2.gz AEDQGBWHSSEXNN-JKSUJKDBSA-N 2 0 280.456 2.536 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000249019321 383317494 /nfs/dbraw/zinc/31/74/94/383317494.db2.gz JVDGKGWNVRCTTN-ZWKOTPCHSA-N 2 0 293.499 2.667 20 0 CFADRP c1cnc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2c1 ZINC000634688169 383320137 /nfs/dbraw/zinc/32/01/37/383320137.db2.gz KDVJPGVXCXUPNK-GASCZTMLSA-N 2 0 281.403 2.666 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251866440 383398501 /nfs/dbraw/zinc/39/85/01/383398501.db2.gz SYIMJFIBMBYVMD-CZUORRHYSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@@H]1C[N@H+](CCOc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000251902061 383400070 /nfs/dbraw/zinc/40/00/70/383400070.db2.gz WMDGDMMKLWJUFE-RDTXWAMCSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H](C)c1ccc(Cl)cc1 ZINC000479448001 383405936 /nfs/dbraw/zinc/40/59/36/383405936.db2.gz FVSAPACSNYOTTH-ZIAGYGMSSA-N 2 0 298.858 3.000 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]CC3(O)CCCC3)CC2)CC1 ZINC000568502688 383408713 /nfs/dbraw/zinc/40/87/13/383408713.db2.gz YMOVWYSSEBBANN-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP CCN(CCC[NH+](C)C)c1cc[nH+]c(C)c1Cl ZINC000425252426 383351306 /nfs/dbraw/zinc/35/13/06/383351306.db2.gz HGPOXEWWKLDANQ-UHFFFAOYSA-N 2 0 255.793 2.821 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000568074671 383355324 /nfs/dbraw/zinc/35/53/24/383355324.db2.gz JPHNTZJVQDRCMA-KRWDZBQOSA-N 2 0 274.408 2.662 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000249987606 383368184 /nfs/dbraw/zinc/36/81/84/383368184.db2.gz NBWCVQIKVJFNSH-DOTOQJQBSA-N 2 0 275.440 2.620 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000340188512 383374145 /nfs/dbraw/zinc/37/41/45/383374145.db2.gz KUIORPPRSFUAGM-AWEZNQCLSA-N 2 0 294.439 2.530 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000340186953 383374401 /nfs/dbraw/zinc/37/44/01/383374401.db2.gz ZJBPXULLRDBOMY-YOEHRIQHSA-N 2 0 276.424 2.795 20 0 CFADRP Cc1cc(C)c2c(c1)CN(Cc1cnc(N(C)C)n1C)CC2 ZINC000425343106 383375020 /nfs/dbraw/zinc/37/50/20/383375020.db2.gz RABRIULIEIHUHY-UHFFFAOYSA-N 2 0 298.434 2.661 20 0 CFADRP CS[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000425359376 383375779 /nfs/dbraw/zinc/37/57/79/383375779.db2.gz PTZBIBVHMHVWDW-KGLIPLIRSA-N 2 0 256.459 2.592 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000250463263 383376141 /nfs/dbraw/zinc/37/61/41/383376141.db2.gz AOUUSGFAJQUFGD-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCCC2 ZINC000250507782 383376907 /nfs/dbraw/zinc/37/69/07/383376907.db2.gz NALRRMWHDFNYIZ-VVLHAWIVSA-N 2 0 292.467 2.941 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000425392935 383377076 /nfs/dbraw/zinc/37/70/76/383377076.db2.gz HVFUUBJFGDPUPB-SJLPKXTDSA-N 2 0 294.483 2.999 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000568249054 383381627 /nfs/dbraw/zinc/38/16/27/383381627.db2.gz GGNAOHSSIRSBET-LSDHHAIUSA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248350 383381850 /nfs/dbraw/zinc/38/18/50/383381850.db2.gz OIKLSCBGLAAJTK-QZTJIDSGSA-N 2 0 289.467 2.886 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250900265 383383023 /nfs/dbraw/zinc/38/30/23/383383023.db2.gz MUAPBOGGVMNDLW-BPUTZDHNSA-N 2 0 274.408 2.973 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000250994439 383383606 /nfs/dbraw/zinc/38/36/06/383383606.db2.gz NFQFSHHTUWFTJX-CWRNSKLLSA-N 2 0 276.424 2.733 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251145887 383385334 /nfs/dbraw/zinc/38/53/34/383385334.db2.gz FPZFSHVIAJZQMR-KBPBESRZSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCCC12CCCC2)N1CC[NH+](C)CC1 ZINC000340229123 383385360 /nfs/dbraw/zinc/38/53/60/383385360.db2.gz SQGPCMCNRDEHMT-DLBZAZTESA-N 2 0 293.499 2.715 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000340232681 383386474 /nfs/dbraw/zinc/38/64/74/383386474.db2.gz YKYYWFQVVPPBBO-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000568276751 383386909 /nfs/dbraw/zinc/38/69/09/383386909.db2.gz OYHQTGBZKOEQBS-MRXNPFEDSA-N 2 0 295.515 2.959 20 0 CFADRP Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568645133 383422655 /nfs/dbraw/zinc/42/26/55/383422655.db2.gz YSAMLHIPYNMMGR-JKSUJKDBSA-N 2 0 262.372 2.803 20 0 CFADRP CCc1cc(CCC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)on1 ZINC000450468746 383423989 /nfs/dbraw/zinc/42/39/89/383423989.db2.gz PCHDZAFCEUCBAV-ZBFHGGJFSA-N 2 0 293.455 2.974 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000428470075 383480819 /nfs/dbraw/zinc/48/08/19/383480819.db2.gz YPCXHZZVTQRXBK-OAHLLOKOSA-N 2 0 288.439 2.654 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422767259 532983653 /nfs/dbraw/zinc/98/36/53/532983653.db2.gz MMUAZDWHTRBVPN-HSBZDZAISA-N 2 0 292.423 2.872 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000340473315 383433214 /nfs/dbraw/zinc/43/32/14/383433214.db2.gz GYUDSJCRWTZITF-IAGOWNOFSA-N 2 0 292.471 2.618 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252849269 383437613 /nfs/dbraw/zinc/43/76/13/383437613.db2.gz GZAYGHGURDJMTD-TWJWRFFLSA-N 2 0 262.372 2.946 20 0 CFADRP CC(C)(C[NH2+]Cc1ccc2nccnc2c1)C[NH+]1CCCC1 ZINC000634978341 383438696 /nfs/dbraw/zinc/43/86/96/383438696.db2.gz ZPIRPISKWLPAEF-UHFFFAOYSA-N 2 0 298.434 2.841 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000252893954 383438733 /nfs/dbraw/zinc/43/87/33/383438733.db2.gz SEYWHJVUZKEEKD-CZUORRHYSA-N 2 0 262.397 2.515 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252945738 383439569 /nfs/dbraw/zinc/43/95/69/383439569.db2.gz MDTUTWZBAHPCJO-BZUAXINKSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)N(Cc1cccs1)CC12CC(C1)C[NH2+]2 ZINC000634991347 383447034 /nfs/dbraw/zinc/44/70/34/383447034.db2.gz AKWBGHGZCZWTPV-UHFFFAOYSA-N 2 0 250.411 2.711 20 0 CFADRP Cc1ccc([C@@H]2CCCN2CC23CC(C2)C[NH2+]3)cc1 ZINC000634991866 383447088 /nfs/dbraw/zinc/44/70/88/383447088.db2.gz UQBFVNFXUOMATF-WIHSUSGWSA-N 2 0 256.393 2.884 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C[C@H]1C[NH3+] ZINC000253200633 383447585 /nfs/dbraw/zinc/44/75/85/383447585.db2.gz XIFTUXANIZXACE-UKRRQHHQSA-N 2 0 269.392 2.652 20 0 CFADRP CC(C)(CCc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634993301 383449371 /nfs/dbraw/zinc/44/93/71/383449371.db2.gz PZBXEEKISSMMLH-UHFFFAOYSA-N 2 0 258.409 2.739 20 0 CFADRP Nc1ccc(-c2cccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)n2)cc1 ZINC000634995540 383450376 /nfs/dbraw/zinc/45/03/76/383450376.db2.gz HWBHJAVVOFDCNE-XJKSGUPXSA-N 2 0 296.418 2.548 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)[C@]1(C)CCCO1)[NH+]1CCCCC1 ZINC000340518732 383453747 /nfs/dbraw/zinc/45/37/47/383453747.db2.gz UZABCHHMQJSNOL-PMPSAXMXSA-N 2 0 268.445 2.798 20 0 CFADRP CCc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc[nH+]1 ZINC000450546340 383455597 /nfs/dbraw/zinc/45/55/97/383455597.db2.gz GSZLSGPTXYVAHA-ZDUSSCGKSA-N 2 0 259.397 2.565 20 0 CFADRP FC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000635001947 383458507 /nfs/dbraw/zinc/45/85/07/383458507.db2.gz JNNOIWUHOHJXFG-XNISGKROSA-N 2 0 280.362 2.814 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003410 383459229 /nfs/dbraw/zinc/45/92/29/383459229.db2.gz CYHMGQMYLXBUGU-UMVBOHGHSA-N 2 0 264.388 2.864 20 0 CFADRP CC(C)C1CC([NH2+]CC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000635003618 383459305 /nfs/dbraw/zinc/45/93/05/383459305.db2.gz AYVDFHASDSKAFE-CGZBRXJRSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000635003003 383459585 /nfs/dbraw/zinc/45/95/85/383459585.db2.gz DRGAFRYEJZYGNB-IMJJTQAJSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCC12CC2 ZINC000635002933 383459767 /nfs/dbraw/zinc/45/97/67/383459767.db2.gz BVOSFQUUGOGECD-WFASDCNBSA-N 2 0 259.397 2.832 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000635002834 383459816 /nfs/dbraw/zinc/45/98/16/383459816.db2.gz AAIFGXFEIVONJU-HTQZYQBOSA-N 2 0 266.332 2.982 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000569008250 383460683 /nfs/dbraw/zinc/46/06/83/383460683.db2.gz NCAWUAKEHSGBQH-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000635004224 383461187 /nfs/dbraw/zinc/46/11/87/383461187.db2.gz NTPHLQWTFDMRQW-BRWVUGGUSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414663422 532985144 /nfs/dbraw/zinc/98/51/44/532985144.db2.gz SBLWCQGNMZUXJG-SIXLDLHFSA-N 2 0 258.409 2.849 20 0 CFADRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccsc1 ZINC000635007101 383462920 /nfs/dbraw/zinc/46/29/20/383462920.db2.gz DZPPIEKWFRVOTO-GFCCVEGCSA-N 2 0 288.420 2.726 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)no1 ZINC000340535463 383463070 /nfs/dbraw/zinc/46/30/70/383463070.db2.gz NOZFMKPZKVKPJH-KKUMJFAQSA-N 2 0 295.427 2.523 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000569258923 383482701 /nfs/dbraw/zinc/48/27/01/383482701.db2.gz NOLUPIPCNSOJCH-CVEARBPZSA-N 2 0 288.435 2.976 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000635008094 383464550 /nfs/dbraw/zinc/46/45/50/383464550.db2.gz QPJLOMIKJJUCIL-IAGOWNOFSA-N 2 0 260.425 2.971 20 0 CFADRP CC(C)[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000527223228 383464862 /nfs/dbraw/zinc/46/48/62/383464862.db2.gz XWKJBCAIHLLICU-ROUUACIJSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccn1 ZINC000635009070 383465604 /nfs/dbraw/zinc/46/56/04/383465604.db2.gz SRLYSUGECMUNGM-ZBFHGGJFSA-N 2 0 269.392 2.692 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000485697868 383466026 /nfs/dbraw/zinc/46/60/26/383466026.db2.gz UAXDEWYAHTWDFO-BNOWGMLFSA-N 2 0 286.341 2.872 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000635008946 383466064 /nfs/dbraw/zinc/46/60/64/383466064.db2.gz WMBDNGDEOTZQBT-OBJOEFQTSA-N 2 0 276.380 2.583 20 0 CFADRP COC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000635010294 383466815 /nfs/dbraw/zinc/46/68/15/383466815.db2.gz JJXFXLWNKHCHPG-LSDHHAIUSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635010733 383467462 /nfs/dbraw/zinc/46/74/62/383467462.db2.gz AUEHJZSMUAEFOO-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000635011748 383467911 /nfs/dbraw/zinc/46/79/11/383467911.db2.gz GTMNVCMACLGRSE-MWDXBVQZSA-N 2 0 292.467 2.704 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000635011788 383468264 /nfs/dbraw/zinc/46/82/64/383468264.db2.gz HQZWIASUJUJFAT-UJPOAAIJSA-N 2 0 276.346 2.838 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(CO)c1 ZINC000635012082 383468272 /nfs/dbraw/zinc/46/82/72/383468272.db2.gz SZMZZDVXBOLLDE-CQSZACIVSA-N 2 0 296.414 2.675 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013702 383469595 /nfs/dbraw/zinc/46/95/95/383469595.db2.gz HGYWVBGYKURRRN-NUEKZKHPSA-N 2 0 296.842 2.666 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635013525 383469746 /nfs/dbraw/zinc/46/97/46/383469746.db2.gz YYJHYISEOHJDNO-ZIAGYGMSSA-N 2 0 264.413 2.969 20 0 CFADRP C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000635013993 383470740 /nfs/dbraw/zinc/47/07/40/383470740.db2.gz XKRBTOKCUOMVGR-HRCADAONSA-N 2 0 280.456 2.846 20 0 CFADRP c1cnc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000635016552 383471533 /nfs/dbraw/zinc/47/15/33/383471533.db2.gz CPXOTPCAUFLPAK-GVDBMIGSSA-N 2 0 281.403 2.713 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CNc3ccccc32)CC[N@@H+]1C ZINC000635021379 383473917 /nfs/dbraw/zinc/47/39/17/383473917.db2.gz OGHDNTKYEADDFC-ILXRZTDVSA-N 2 0 273.424 2.658 20 0 CFADRP CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635024290 383474947 /nfs/dbraw/zinc/47/49/47/383474947.db2.gz VXCXJPOUNWUYIF-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000428446778 383475312 /nfs/dbraw/zinc/47/53/12/383475312.db2.gz MLVDUEYKFOXWCW-CQSZACIVSA-N 2 0 276.428 2.510 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000255111192 383476290 /nfs/dbraw/zinc/47/62/90/383476290.db2.gz ULRHGHQQCKFHAW-JZIMQPMSSA-N 2 0 262.372 2.722 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(C[C@@H]2CCCC[NH+]2C(C)C)C[C@@H]1C ZINC000450641448 383479863 /nfs/dbraw/zinc/47/98/63/383479863.db2.gz NSMAVDMCJKZZRH-ULQDDVLXSA-N 2 0 281.488 2.664 20 0 CFADRP c1ccc2c(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000252561138 383419877 /nfs/dbraw/zinc/41/98/77/383419877.db2.gz WDQNSVTZLSHGFT-UONOGXRCSA-N 2 0 283.375 2.510 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488455432 383545036 /nfs/dbraw/zinc/54/50/36/383545036.db2.gz KBQBYOWWWIBKRZ-KBPBESRZSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488454816 383545276 /nfs/dbraw/zinc/54/52/76/383545276.db2.gz JKAWZHKZSALHHA-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261719943 383547528 /nfs/dbraw/zinc/54/75/28/383547528.db2.gz FSIWRFFNKTXAEJ-OIISXLGYSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000261721713 383548509 /nfs/dbraw/zinc/54/85/09/383548509.db2.gz GXQXQPXVAUBFRF-LBPRGKRZSA-N 2 0 298.390 2.562 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCC[C@H]1C ZINC000488002696 383487005 /nfs/dbraw/zinc/48/70/05/383487005.db2.gz ZCGZPESXHBZNGU-PMPSAXMXSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)CN1CCO[C@H](C[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000255953479 383488341 /nfs/dbraw/zinc/48/83/41/383488341.db2.gz GTBAEHLWLNJBNE-BZUAXINKSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000569330403 383488576 /nfs/dbraw/zinc/48/85/76/383488576.db2.gz XMNYYAFFQGPUIV-RHSMWYFYSA-N 2 0 276.424 2.829 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000257721063 383498240 /nfs/dbraw/zinc/49/82/40/383498240.db2.gz VORKNSGVXJIQOO-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP Cc1ccsc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000259192674 383501413 /nfs/dbraw/zinc/50/14/13/383501413.db2.gz ZSTHNWLCJDMEJZ-UHFFFAOYSA-N 2 0 252.427 2.878 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261744269 383551046 /nfs/dbraw/zinc/55/10/46/383551046.db2.gz IZIXRMVCSQBLIV-WBVHZDCISA-N 2 0 274.408 2.832 20 0 CFADRP CC[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000450856272 383523347 /nfs/dbraw/zinc/52/33/47/383523347.db2.gz HVMVODLCWMBLMO-NSHDSACASA-N 2 0 267.804 2.964 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000261594949 383523643 /nfs/dbraw/zinc/52/36/43/383523643.db2.gz XVVSIRIAJWHBNK-GWCFXTLKSA-N 2 0 283.213 2.537 20 0 CFADRP Cc1cccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000261597852 383524923 /nfs/dbraw/zinc/52/49/23/383524923.db2.gz PHMGIAFSMQXBLE-IAGOWNOFSA-N 2 0 287.451 2.505 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000261610173 383528139 /nfs/dbraw/zinc/52/81/39/383528139.db2.gz SHGQPZQZLXLRJI-NVXWUHKLSA-N 2 0 258.409 2.796 20 0 CFADRP CCc1nc(C)c(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000261609138 383528498 /nfs/dbraw/zinc/52/84/98/383528498.db2.gz DPAGFVLEXCLKEC-SOUVJXGZSA-N 2 0 291.439 2.946 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000261623498 383530453 /nfs/dbraw/zinc/53/04/53/383530453.db2.gz CKDQHZXZLYABQG-SFHVURJKSA-N 2 0 284.403 2.889 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261625973 383531290 /nfs/dbraw/zinc/53/12/90/383531290.db2.gz VJJUCMAMLKLLTG-PVAVHDDUSA-N 2 0 256.393 2.748 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261625981 383531411 /nfs/dbraw/zinc/53/14/11/383531411.db2.gz VJJUCMAMLKLLTG-XIRDDKMYSA-N 2 0 256.393 2.748 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488419812 383533408 /nfs/dbraw/zinc/53/34/08/383533408.db2.gz KNNQXSNHXBQHHR-BARDWOONSA-N 2 0 252.446 2.989 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)ccc2n1 ZINC000261639541 383534241 /nfs/dbraw/zinc/53/42/41/383534241.db2.gz CECHEUIEHACJGP-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CS1 ZINC000488434117 383538209 /nfs/dbraw/zinc/53/82/09/383538209.db2.gz OODUBINJVIHVDZ-HOTGVXAUSA-N 2 0 282.497 2.981 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2CC(C(C)C)C2)CC1 ZINC000488441064 383538903 /nfs/dbraw/zinc/53/89/03/383538903.db2.gz REMIEHXOCYPREX-UHFFFAOYSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCSCCOC)CC1 ZINC000488443462 383539953 /nfs/dbraw/zinc/53/99/53/383539953.db2.gz OCRNJKVQGRERFD-UHFFFAOYSA-N 2 0 288.501 2.562 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000429529727 383540828 /nfs/dbraw/zinc/54/08/28/383540828.db2.gz QKVIIKBZUHLHLQ-QGZVFWFLSA-N 2 0 298.434 2.788 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2cc(-c3ccccc3)on2)C1 ZINC000261683952 383541268 /nfs/dbraw/zinc/54/12/68/383541268.db2.gz HBHJTOMCEYSQHM-MRXNPFEDSA-N 2 0 271.364 2.512 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000341043546 383541608 /nfs/dbraw/zinc/54/16/08/383541608.db2.gz RTSPRZCJBZTAPP-QZTJIDSGSA-N 2 0 290.451 2.820 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCSCCOC)C[C@H]1C ZINC000488452718 383543354 /nfs/dbraw/zinc/54/33/54/383543354.db2.gz BBGDYUYEZFQPBZ-CABCVRRESA-N 2 0 288.501 2.561 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H](NC/C=C(/C)Cl)[C@H](C)C1 ZINC000528460204 383543568 /nfs/dbraw/zinc/54/35/68/383543568.db2.gz WOERUAMJTBYUFU-YJXOCKSBSA-N 2 0 288.863 2.856 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000570143959 383575614 /nfs/dbraw/zinc/57/56/14/383575614.db2.gz OJWZAZYBAVNZNR-OLZOCXBDSA-N 2 0 290.436 2.541 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261893557 383576582 /nfs/dbraw/zinc/57/65/82/383576582.db2.gz UJKZOUNNAWSUDE-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@H+](C[C@H]1CCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450982775 383576535 /nfs/dbraw/zinc/57/65/35/383576535.db2.gz NDFKFSBTWFXMBB-ICIURTGMSA-N 2 0 272.383 2.979 20 0 CFADRP Cc1nc(C)c([C@@H](C)N(C)C[C@@]2(C)CC[NH2+]C2)s1 ZINC000261904906 383577831 /nfs/dbraw/zinc/57/78/31/383577831.db2.gz WTPFUGMNSHXPHC-RISCZKNCSA-N 2 0 267.442 2.752 20 0 CFADRP CCc1cccc(F)c1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000261919642 383579350 /nfs/dbraw/zinc/57/93/50/383579350.db2.gz KFUHBSSARFNPGD-UHFFFAOYSA-N 2 0 264.388 2.820 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000570200180 383581775 /nfs/dbraw/zinc/58/17/75/383581775.db2.gz QEHAITYDPRLBDO-HNNXBMFYSA-N 2 0 278.396 2.514 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000261943943 383582732 /nfs/dbraw/zinc/58/27/32/383582732.db2.gz NCTQBFHVPPXFDK-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000261936170 383583259 /nfs/dbraw/zinc/58/32/59/383583259.db2.gz KLELNELFBQBARX-UHFFFAOYSA-N 2 0 298.434 2.694 20 0 CFADRP C[C@](C[NH3+])([NH2+]CCOc1ccc(F)cc1Cl)C1CC1 ZINC000262182840 383611691 /nfs/dbraw/zinc/61/16/91/383611691.db2.gz WZUJVTAODKESHN-CQSZACIVSA-N 2 0 286.778 2.575 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261964658 383587218 /nfs/dbraw/zinc/58/72/18/383587218.db2.gz AWFGJCHJBKQDPK-GVDBMIGSSA-N 2 0 288.435 2.741 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261966940 383588650 /nfs/dbraw/zinc/58/86/50/383588650.db2.gz PZACCXFADFLWGA-ROUUACIJSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000262007999 383593767 /nfs/dbraw/zinc/59/37/67/383593767.db2.gz UVSMNVZQIUNUNN-GDBMZVCRSA-N 2 0 278.465 2.979 20 0 CFADRP C[C@](C[NH3+])([NH2+]CCOc1cccc2ccccc21)C1CC1 ZINC000430589270 383594678 /nfs/dbraw/zinc/59/46/78/383594678.db2.gz DHJRGQWEMUWYBA-GOSISDBHSA-N 2 0 284.403 2.936 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451366196 383599462 /nfs/dbraw/zinc/59/94/62/383599462.db2.gz HXMSYMXNDIUHAW-ALYAQQCSSA-N 2 0 260.425 2.615 20 0 CFADRP COc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430924583 383612537 /nfs/dbraw/zinc/61/25/37/383612537.db2.gz JLFOGCVARIGMMY-CABCVRRESA-N 2 0 292.423 2.523 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262100079 383605355 /nfs/dbraw/zinc/60/53/55/383605355.db2.gz VMCKIWHPZMZXIW-KGLIPLIRSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1cccc([C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000262097083 383605432 /nfs/dbraw/zinc/60/54/32/383605432.db2.gz VHDSCSVEPCJDEF-IRXDYDNUSA-N 2 0 258.409 2.784 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(F)cc1 ZINC000422729893 532994797 /nfs/dbraw/zinc/99/47/97/532994797.db2.gz LENIRMMZMVGDNJ-KDOFPFPSSA-N 2 0 286.394 2.916 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262161651 383609567 /nfs/dbraw/zinc/60/95/67/383609567.db2.gz GXLGNVLJQUPFSV-CRAIPNDOSA-N 2 0 272.436 2.939 20 0 CFADRP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2n1 ZINC000261750322 383552935 /nfs/dbraw/zinc/55/29/35/383552935.db2.gz TUOFWDVTLLDAMP-SJORKVTESA-N 2 0 281.403 2.585 20 0 CFADRP c1c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)onc1-c1ccccc1 ZINC000261758576 383554192 /nfs/dbraw/zinc/55/41/92/383554192.db2.gz UQNICOIZTUEZQO-ZBFHGGJFSA-N 2 0 283.375 2.525 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000261755441 383554374 /nfs/dbraw/zinc/55/43/74/383554374.db2.gz CLVARJNBACTFEQ-QWHCGFSZSA-N 2 0 264.388 2.988 20 0 CFADRP CCc1cccc(F)c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000261772218 383556635 /nfs/dbraw/zinc/55/66/35/383556635.db2.gz DUCZYPIVGGVXLW-LBPRGKRZSA-N 2 0 264.388 2.947 20 0 CFADRP CC[NH+](CC)[C@@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000429691738 383559001 /nfs/dbraw/zinc/55/90/01/383559001.db2.gz ORTSPOJGNOHHDJ-GOSISDBHSA-N 2 0 289.467 2.535 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc(-c3coc(C[NH3+])c3)n2)cc1 ZINC000261800068 383563563 /nfs/dbraw/zinc/56/35/63/383563563.db2.gz PAWOMZGHZHHYGJ-UHFFFAOYSA-N 2 0 298.346 2.517 20 0 CFADRP CO[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1(C)C ZINC000451553770 383645485 /nfs/dbraw/zinc/64/54/85/383645485.db2.gz OQZBFBGNOVNKRC-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000451458732 383619990 /nfs/dbraw/zinc/61/99/90/383619990.db2.gz PEPIJTUNRQBQGV-KRWDZBQOSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021436 383622945 /nfs/dbraw/zinc/62/29/45/383622945.db2.gz JHXABZFCAYJGMG-HOTGVXAUSA-N 2 0 280.456 2.657 20 0 CFADRP Cc1ccc(C)c(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431024381 383623645 /nfs/dbraw/zinc/62/36/45/383623645.db2.gz LRLYSBGOEIOXGH-UHFFFAOYSA-N 2 0 288.435 2.758 20 0 CFADRP CC[C@@H](C)[C@@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431068051 383627309 /nfs/dbraw/zinc/62/73/09/383627309.db2.gz GWHJWFVFTOPIER-GHMZBOCLSA-N 2 0 280.416 2.662 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc12 ZINC000262562991 383628046 /nfs/dbraw/zinc/62/80/46/383628046.db2.gz VWTLLGIEVBIQMK-HOCLYGCPSA-N 2 0 296.414 2.890 20 0 CFADRP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431084466 383628312 /nfs/dbraw/zinc/62/83/12/383628312.db2.gz OWJFPMZLMYJSPZ-NEPJUHHUSA-N 2 0 280.416 2.664 20 0 CFADRP CCCC[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435734491 383778925 /nfs/dbraw/zinc/77/89/25/383778925.db2.gz XFCOTIKUCMPRPF-CYBMUJFWSA-N 2 0 267.442 2.663 20 0 CFADRP C(C[C@@H]1CCOC1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000645807143 383754781 /nfs/dbraw/zinc/75/47/81/383754781.db2.gz BYORBSLIVANXCU-SJORKVTESA-N 2 0 280.456 2.753 20 0 CFADRP Cc1cnc(CCN2CCC[C@@H]([NH2+]C(C)C)C2)c(C)c1 ZINC000645827488 383761639 /nfs/dbraw/zinc/76/16/39/383761639.db2.gz GIQVNYXFKVEVSZ-MRXNPFEDSA-N 2 0 275.440 2.703 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415092001 533008259 /nfs/dbraw/zinc/00/82/59/533008259.db2.gz RRCPMPJYUFFCLI-MELADBBJSA-N 2 0 262.397 2.734 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H]2CCn3ccnc32)C1 ZINC000453055076 383763525 /nfs/dbraw/zinc/76/35/25/383763525.db2.gz DBRSNWABIQHTFQ-OAGGEKHMSA-N 2 0 290.455 2.676 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CO ZINC000572234205 383764088 /nfs/dbraw/zinc/76/40/88/383764088.db2.gz ILDVEGNCVCTXNR-RHSMWYFYSA-N 2 0 276.424 2.579 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000453109966 383769380 /nfs/dbraw/zinc/76/93/80/383769380.db2.gz QBVKBIZANSUSFP-HZPDHXFCSA-N 2 0 283.504 2.674 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cnc(C3CC3)nc2)c2ccccc21 ZINC000571038346 383661856 /nfs/dbraw/zinc/66/18/56/383661856.db2.gz NIOSFWBWBVSJOX-IAGOWNOFSA-N 2 0 294.402 2.631 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000572374143 383778328 /nfs/dbraw/zinc/77/83/28/383778328.db2.gz BMFKHWVZRASAPW-MJBXVCDLSA-N 2 0 286.423 2.614 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)CN(C)CC ZINC000571175746 383670601 /nfs/dbraw/zinc/67/06/01/383670601.db2.gz LZSIUDWPVSLVPI-MSOLQXFVSA-N 2 0 292.467 2.642 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000640016265 383672339 /nfs/dbraw/zinc/67/23/39/383672339.db2.gz WOTRNPQXBQEWPJ-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H](CC)c1ccncc1 ZINC000453216266 383804671 /nfs/dbraw/zinc/80/46/71/383804671.db2.gz GQEIZOGEBQJSGD-JKSUJKDBSA-N 2 0 261.413 2.997 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)ccn1 ZINC000572706919 383807781 /nfs/dbraw/zinc/80/77/81/383807781.db2.gz WWYIOUDEGAKKOJ-CYBMUJFWSA-N 2 0 289.423 2.615 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000453246072 383813958 /nfs/dbraw/zinc/81/39/58/383813958.db2.gz COBDWKBNKAFPNK-BBWFWOEESA-N 2 0 281.488 2.569 20 0 CFADRP Cc1cc(CN(C)CCCC[NH+]2CCCCC2)no1 ZINC000640531254 383818079 /nfs/dbraw/zinc/81/80/79/383818079.db2.gz NRQWQIVNZGXFGK-UHFFFAOYSA-N 2 0 265.401 2.681 20 0 CFADRP Cc1noc([C@@H](C)N(C)CCCC[NH+]2CCCCC2)n1 ZINC000640532096 383818731 /nfs/dbraw/zinc/81/87/31/383818731.db2.gz WJSCJAKMSMIENM-CYBMUJFWSA-N 2 0 280.416 2.637 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCCC[NH+]2CCCCC2)CCO1 ZINC000640534087 383819384 /nfs/dbraw/zinc/81/93/84/383819384.db2.gz LICYGDBSHPRLDJ-DLBZAZTESA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H]1OCC[C@H]1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533078 383819526 /nfs/dbraw/zinc/81/95/26/383819526.db2.gz BXUNGKIWQVYDAQ-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(CCc3c(F)cccc3F)C2)C1 ZINC000645922724 383795114 /nfs/dbraw/zinc/79/51/14/383795114.db2.gz OMROIMDQCVFODU-KRWDZBQOSA-N 2 0 294.389 2.925 20 0 CFADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000453188790 383795736 /nfs/dbraw/zinc/79/57/36/383795736.db2.gz AESRHOAFIDDLGF-MRXNPFEDSA-N 2 0 292.471 2.619 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000453206771 383801421 /nfs/dbraw/zinc/80/14/21/383801421.db2.gz YQLZXNDNFLKRTP-BRSBDYLESA-N 2 0 295.515 2.817 20 0 CFADRP CN(CCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000572900126 383835678 /nfs/dbraw/zinc/83/56/78/383835678.db2.gz WNDZTEWGQPBDPT-HOTGVXAUSA-N 2 0 275.440 2.763 20 0 CFADRP OCC[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1F ZINC000646070010 383847096 /nfs/dbraw/zinc/84/70/96/383847096.db2.gz FVIPFNYWZKKIOP-QGZVFWFLSA-N 2 0 294.414 2.715 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C1CC1 ZINC000453392390 383849944 /nfs/dbraw/zinc/84/99/44/383849944.db2.gz FDERTRLDBXIDCH-YPMHNXCESA-N 2 0 294.361 2.560 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C1(C)C ZINC000453405404 383852397 /nfs/dbraw/zinc/85/23/97/383852397.db2.gz QMJWMMTYFPMYQE-LSDHHAIUSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000453401819 383852615 /nfs/dbraw/zinc/85/26/15/383852615.db2.gz FHSMCGCSGNFTQD-MWQQHZPXSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H](C[NH2+]CCCC[N@H+](C)C1CC1)CC1CCOCC1 ZINC000453599387 383866975 /nfs/dbraw/zinc/86/69/75/383866975.db2.gz QYACGQOVWGCVLQ-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453600637 383870487 /nfs/dbraw/zinc/87/04/87/383870487.db2.gz MLPLUZZVJGDRSE-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP C[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646104706 383875022 /nfs/dbraw/zinc/87/50/22/383875022.db2.gz UMCUPYRBKYGKGS-MRXNPFEDSA-N 2 0 288.435 2.587 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1C=CCCCCC1)CCO2 ZINC000646106777 383875097 /nfs/dbraw/zinc/87/50/97/383875097.db2.gz SCUHJBYPQBVQMP-INIZCTEOSA-N 2 0 278.440 2.672 20 0 CFADRP O[C@@H](C[NH2+][C@H](CC1CC1)c1ccccc1)C[NH+]1CCCC1 ZINC000531701957 383908462 /nfs/dbraw/zinc/90/84/62/383908462.db2.gz RCCOACQONOLKCY-ZWKOTPCHSA-N 2 0 288.435 2.574 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000423078627 533018253 /nfs/dbraw/zinc/01/82/53/533018253.db2.gz OTQQYAGZSUCPCC-KRWDZBQOSA-N 2 0 276.424 2.798 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000422826332 533018701 /nfs/dbraw/zinc/01/87/01/533018701.db2.gz QRRBZJVHEOVQPK-YCPHGPKFSA-N 2 0 264.413 2.522 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000423167010 533018733 /nfs/dbraw/zinc/01/87/33/533018733.db2.gz RSSVVIHSYCXHEK-QPSCCSFWSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000573445654 383930819 /nfs/dbraw/zinc/93/08/19/383930819.db2.gz PCRQMKWYKWQUOX-BDAKNGLRSA-N 2 0 289.192 2.804 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000422841686 533021459 /nfs/dbraw/zinc/02/14/59/533021459.db2.gz WOMZMNUGMPWQGH-IIYDPXPESA-N 2 0 294.414 2.793 20 0 CFADRP C[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccccc1 ZINC000265354480 383898866 /nfs/dbraw/zinc/89/88/66/383898866.db2.gz USBSIOBZEROPOH-INIZCTEOSA-N 2 0 290.451 2.569 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000532224934 383996278 /nfs/dbraw/zinc/99/62/78/383996278.db2.gz LYTZKYUHFZXEJE-UBDQQSCGSA-N 2 0 272.436 2.938 20 0 CFADRP CC(C)C[C@@H](C)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000573471905 383936737 /nfs/dbraw/zinc/93/67/37/383936737.db2.gz QETILWYLDFEKAA-OAHLLOKOSA-N 2 0 290.455 2.928 20 0 CFADRP CC(C)[C@H](C[NH2+]CC[C@H]1CCOC1)[NH+]1CCC(C)CC1 ZINC000438074290 383941802 /nfs/dbraw/zinc/94/18/02/383941802.db2.gz ODUVHEQPOGWNTM-IRXDYDNUSA-N 2 0 282.472 2.759 20 0 CFADRP CCC(=O)Nc1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000531937296 383942598 /nfs/dbraw/zinc/94/25/98/383942598.db2.gz VXVJVLVXONXMGX-HIFRSBDPSA-N 2 0 289.423 2.607 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000531936471 383943955 /nfs/dbraw/zinc/94/39/55/383943955.db2.gz KPCLJKDWNWQEJJ-YJBOKZPZSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC000438087436 383945740 /nfs/dbraw/zinc/94/57/40/383945740.db2.gz LFKCYTMUZHWOIH-CVEARBPZSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531962865 383949207 /nfs/dbraw/zinc/94/92/07/383949207.db2.gz ARWLZHJUBOHEDY-OLZOCXBDSA-N 2 0 289.423 2.562 20 0 CFADRP CC[C@@H]([NH2+]CCCNc1ccccn1)C1CCOCC1 ZINC000531977541 383951196 /nfs/dbraw/zinc/95/11/96/383951196.db2.gz CGSCERQKZARLLW-OAHLLOKOSA-N 2 0 277.412 2.678 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000438175393 383963978 /nfs/dbraw/zinc/96/39/78/383963978.db2.gz IUJQKTMSBOTQSM-HNNXBMFYSA-N 2 0 276.424 2.655 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000532506130 384038520 /nfs/dbraw/zinc/03/85/20/384038520.db2.gz WYGSBDZANZBQBA-HZPDHXFCSA-N 2 0 298.434 2.865 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)s2)[C@H](C)C1 ZINC000266128183 384088400 /nfs/dbraw/zinc/08/84/00/384088400.db2.gz QKPDQYHRGDOMRP-BXUZGUMPSA-N 2 0 252.427 2.876 20 0 CFADRP COc1ccc(F)cc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000266017328 384055698 /nfs/dbraw/zinc/05/56/98/384055698.db2.gz VDCMUOFCBYQVAN-WFASDCNBSA-N 2 0 280.387 2.749 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc3ccccc3nc2OC)CC1 ZINC000574276933 384071312 /nfs/dbraw/zinc/07/13/12/384071312.db2.gz JXNOOJPMDFLZFW-UHFFFAOYSA-N 2 0 299.418 2.675 20 0 CFADRP COC(=O)CCC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000533023239 384094042 /nfs/dbraw/zinc/09/40/42/384094042.db2.gz JKYSMTFWCHEDRK-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP CC(C)c1ccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071148948 412977192 /nfs/dbraw/zinc/97/71/92/412977192.db2.gz SSFNLKXKRZTGFY-MRXNPFEDSA-N 2 0 289.467 2.708 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422840591 533042253 /nfs/dbraw/zinc/04/22/53/533042253.db2.gz UBQCAGBPYGETFN-SWHNLWLKSA-N 2 0 280.456 2.702 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccncc1F ZINC000641400606 384183047 /nfs/dbraw/zinc/18/30/47/384183047.db2.gz AVXGDHVLVLPMGI-LBPRGKRZSA-N 2 0 251.349 2.531 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(OC)cc2)C1 ZINC000266599468 384205570 /nfs/dbraw/zinc/20/55/70/384205570.db2.gz CSKYIGVHOYMRKJ-INIZCTEOSA-N 2 0 276.424 2.511 20 0 CFADRP COC(=O)[C@@H](c1ccccc1)N1CCC(c2ncc[nH]2)CC1 ZINC000266755734 384233405 /nfs/dbraw/zinc/23/34/05/384233405.db2.gz PBBYBLYXNLLSQH-OAHLLOKOSA-N 2 0 299.374 2.503 20 0 CFADRP CCCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000266785248 384237445 /nfs/dbraw/zinc/23/74/45/384237445.db2.gz OFCCMKDCVHJPCV-KRWDZBQOSA-N 2 0 290.451 2.964 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)C1CC1 ZINC000266937122 384264414 /nfs/dbraw/zinc/26/44/14/384264414.db2.gz AZMQRMDELWOQAK-KRWDZBQOSA-N 2 0 290.451 2.505 20 0 CFADRP CC[C@](C)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)OC ZINC000637904122 384265189 /nfs/dbraw/zinc/26/51/89/384265189.db2.gz APRNVRDWRRLNJV-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP CN(C)[C@]1(C[NH2+]Cc2cccc3[nH]ccc32)CCSC1 ZINC000267078841 384295797 /nfs/dbraw/zinc/29/57/97/384295797.db2.gz JZXFEQNIYSJLQA-INIZCTEOSA-N 2 0 289.448 2.695 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000641732302 384301591 /nfs/dbraw/zinc/30/15/91/384301591.db2.gz HIHADTLQKNTOGZ-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000641796946 384360825 /nfs/dbraw/zinc/36/08/25/384360825.db2.gz NJFSLEIZAURMDR-INIZCTEOSA-N 2 0 278.440 2.695 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000641797936 384362375 /nfs/dbraw/zinc/36/23/75/384362375.db2.gz ARUNPMYXFRXNIV-ULQDDVLXSA-N 2 0 292.467 2.942 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000641797672 384363025 /nfs/dbraw/zinc/36/30/25/384363025.db2.gz FLRGEUNXSGFBBF-LSDHHAIUSA-N 2 0 291.439 2.757 20 0 CFADRP [NH3+]CC[C@@H]1CCCCN1Cc1nsc2ccccc21 ZINC000641798769 384364462 /nfs/dbraw/zinc/36/44/62/384364462.db2.gz MJVNIBLJUICKMQ-LBPRGKRZSA-N 2 0 275.421 3.000 20 0 CFADRP CC[C@H]1CN(Cc2nsc3ccccc32)CC[C@@H]1[NH3+] ZINC000641798771 384364747 /nfs/dbraw/zinc/36/47/47/384364747.db2.gz MMDFZPIQRKGLAM-AAEUAGOBSA-N 2 0 275.421 2.856 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CCCC3)O1)CC[NH2+]CC2 ZINC000641798307 384365122 /nfs/dbraw/zinc/36/51/22/384365122.db2.gz FFYKZSSDBKLGGB-HOTGVXAUSA-N 2 0 292.467 2.942 20 0 CFADRP C([C@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800973 384368910 /nfs/dbraw/zinc/36/89/10/384368910.db2.gz KASMXOJDWQCTRA-OAGGEKHMSA-N 2 0 278.440 2.552 20 0 CFADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCSc1ccc(F)cc1 ZINC000641801810 384369646 /nfs/dbraw/zinc/36/96/46/384369646.db2.gz VUPUVNBNUCXHDR-STQMWFEESA-N 2 0 268.401 2.633 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cc2)n1 ZINC000641803594 384370617 /nfs/dbraw/zinc/37/06/17/384370617.db2.gz UDHXQCUAVDPWNB-IRXDYDNUSA-N 2 0 298.434 2.705 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCc1c(F)cccc1Cl ZINC000641803342 384370629 /nfs/dbraw/zinc/37/06/29/384370629.db2.gz SMTLVGUVBQABQM-OLZOCXBDSA-N 2 0 270.779 2.737 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC[C@H]1CCc2ccccc21 ZINC000641801971 384371444 /nfs/dbraw/zinc/37/14/44/384371444.db2.gz WXCMAEAYLUHARH-BMFZPTHFSA-N 2 0 258.409 2.822 20 0 CFADRP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c2ccccc2n1 ZINC000641803297 384371590 /nfs/dbraw/zinc/37/15/90/384371590.db2.gz SGZWEHPXCCJUMH-HOTGVXAUSA-N 2 0 269.392 2.759 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)OC ZINC000638109118 384421775 /nfs/dbraw/zinc/42/17/75/384421775.db2.gz CMPOJIJWXBAHSC-JONQDZQNSA-N 2 0 270.461 2.852 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)ns2)[C@H](C)C1 ZINC000638111916 384423857 /nfs/dbraw/zinc/42/38/57/384423857.db2.gz HFJHTNBKSRAQLL-RISCZKNCSA-N 2 0 267.442 2.614 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277855725 384424648 /nfs/dbraw/zinc/42/46/48/384424648.db2.gz MVGPZZJUPWELPM-OAHLLOKOSA-N 2 0 294.414 2.725 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000641809699 384375771 /nfs/dbraw/zinc/37/57/71/384375771.db2.gz UEDGETHABXUTIE-OAHLLOKOSA-N 2 0 287.451 2.512 20 0 CFADRP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)OC ZINC000638134218 384444088 /nfs/dbraw/zinc/44/40/88/384444088.db2.gz MMWBZVGWTYSYNH-BHYGNILZSA-N 2 0 282.472 2.711 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2)CCCO1 ZINC000278027435 384462219 /nfs/dbraw/zinc/46/22/19/384462219.db2.gz WTRIUXAYGOUXGX-AWEZNQCLSA-N 2 0 296.842 2.931 20 0 CFADRP CCC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC ZINC000638178137 384471471 /nfs/dbraw/zinc/47/14/71/384471471.db2.gz FYOQFVXLMZXECI-OIISXLGYSA-N 2 0 280.456 2.750 20 0 CFADRP CO[C@](C)(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000638177178 384471925 /nfs/dbraw/zinc/47/19/25/384471925.db2.gz ANHKHPIWGRCBIP-BMGDILEWSA-N 2 0 292.467 2.750 20 0 CFADRP CC(C)C1(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000638178104 384472837 /nfs/dbraw/zinc/47/28/37/384472837.db2.gz FNQDURLRYYYWMT-ARFHVFGLSA-N 2 0 280.456 2.606 20 0 CFADRP CC[N@@H+](CCCc1cnccc1C)CCC[NH+](C)C ZINC000289417138 197337764 /nfs/dbraw/zinc/33/77/64/197337764.db2.gz IRIHNAUMZZBKAT-UHFFFAOYSA-N 2 0 263.429 2.596 20 0 CFADRP Fc1cccc([C@@H]2CC[N@@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000643058193 384487818 /nfs/dbraw/zinc/48/78/18/384487818.db2.gz LNVCXWAIBVZHKL-CJNGLKHVSA-N 2 0 262.372 2.962 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000643076722 384493189 /nfs/dbraw/zinc/49/31/89/384493189.db2.gz CHWLHHVAXQDLIC-INIZCTEOSA-N 2 0 276.424 2.660 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]CCC[NH+]1CCCCC1)OC ZINC000638307756 384547158 /nfs/dbraw/zinc/54/71/58/384547158.db2.gz KPDSUNCGGWQVJE-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000638360613 384585034 /nfs/dbraw/zinc/58/50/34/384585034.db2.gz XIEQCZAPYZGAPW-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CC1(F)F ZINC000638371757 384598401 /nfs/dbraw/zinc/59/84/01/384598401.db2.gz WAIDZYBSBMBNJA-RFQIPJPRSA-N 2 0 274.399 2.988 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638372801 384600535 /nfs/dbraw/zinc/60/05/35/384600535.db2.gz YIPFYLTVJGMGSV-HZPDHXFCSA-N 2 0 290.451 2.637 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC1CC[NH2+]CC1 ZINC000643497285 384663142 /nfs/dbraw/zinc/66/31/42/384663142.db2.gz CFOYYRYUTRASTR-LBPRGKRZSA-N 2 0 252.427 2.658 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000643499047 384663932 /nfs/dbraw/zinc/66/39/32/384663932.db2.gz PCCFMKXNCGZYFW-NHYWBVRUSA-N 2 0 250.361 2.648 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)[C@H]1CCC[NH2+]C1 ZINC000643503428 384673025 /nfs/dbraw/zinc/67/30/25/384673025.db2.gz SNFWZMMPAQLCKS-XMZIXOGTSA-N 2 0 280.362 2.930 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CCCO2 ZINC000643503650 384673494 /nfs/dbraw/zinc/67/34/94/384673494.db2.gz RPPOBDICZOOAOA-ZUEPYMLJSA-N 2 0 290.407 2.768 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000643451824 384634693 /nfs/dbraw/zinc/63/46/93/384634693.db2.gz FAXRQGOLAAVLHE-XYJFISCASA-N 2 0 289.467 2.929 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000643455966 384635666 /nfs/dbraw/zinc/63/56/66/384635666.db2.gz FQQNBOVVVOFNKL-GDBMZVCRSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000643457270 384636966 /nfs/dbraw/zinc/63/69/66/384636966.db2.gz PUAUKWCTFKJDRW-DOTOQJQBSA-N 2 0 286.423 2.732 20 0 CFADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC[C@@H]1CCO1 ZINC000638416724 384638494 /nfs/dbraw/zinc/63/84/94/384638494.db2.gz DAWSRNZKFAYQDV-XUWVNRHRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC[C@@H]1CCO1 ZINC000638416722 384639082 /nfs/dbraw/zinc/63/90/82/384639082.db2.gz DAWSRNZKFAYQDV-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000643457623 384639167 /nfs/dbraw/zinc/63/91/67/384639167.db2.gz RDTKZISOZAMMFH-UKRRQHHQSA-N 2 0 276.424 2.690 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CCCC[C@H]3C[NH3+])nc21 ZINC000643458880 384639252 /nfs/dbraw/zinc/63/92/52/384639252.db2.gz SGSLSIFPAOBBOS-UONOGXRCSA-N 2 0 287.407 2.786 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccncc1 ZINC000643460243 384642546 /nfs/dbraw/zinc/64/25/46/384642546.db2.gz DKNMNEPOFQWDNB-OAUYIBNBSA-N 2 0 267.376 2.920 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@H]1CCCC[NH2+]1 ZINC000643466755 384646553 /nfs/dbraw/zinc/64/65/53/384646553.db2.gz MNQOUXPRFXVEDM-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1COc2c1cccc2Cl ZINC000643466636 384646743 /nfs/dbraw/zinc/64/67/43/384646743.db2.gz JXZUZNLIXUIBHC-MFKMUULPSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000643466621 384646932 /nfs/dbraw/zinc/64/69/32/384646932.db2.gz IZQKDDNCHOHPPY-ZNMIVQPWSA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]1 ZINC000643466877 384647272 /nfs/dbraw/zinc/64/72/72/384647272.db2.gz YCUPCHXVBXAOQS-ILXRZTDVSA-N 2 0 268.445 2.702 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000643468305 384648060 /nfs/dbraw/zinc/64/80/60/384648060.db2.gz NMMUCCBJZQSKBQ-QBIMZIAESA-N 2 0 286.419 2.878 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccccc1Cl ZINC000643467438 384648616 /nfs/dbraw/zinc/64/86/16/384648616.db2.gz FMMNKUZQTFIXIZ-JTNHKYCSSA-N 2 0 270.804 2.743 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643474203 384651927 /nfs/dbraw/zinc/65/19/27/384651927.db2.gz NSTFSUGKFJUGPQ-UNXMRWRESA-N 2 0 274.408 2.805 20 0 CFADRP c1ccc2c(c1)CC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000643477951 384655286 /nfs/dbraw/zinc/65/52/86/384655286.db2.gz GVTWYLDUSARPFC-BXEVVDMOSA-N 2 0 270.420 2.664 20 0 CFADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])CCO2 ZINC000643482369 384656223 /nfs/dbraw/zinc/65/62/23/384656223.db2.gz CSPNXRHFLCPWPB-UHOFOFEASA-N 2 0 290.407 2.626 20 0 CFADRP CCOc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000643493789 384661100 /nfs/dbraw/zinc/66/11/00/384661100.db2.gz OZAYWEGXQSPQKA-UXLLHSPISA-N 2 0 290.451 2.852 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)n1 ZINC000643545546 384723993 /nfs/dbraw/zinc/72/39/93/384723993.db2.gz XLGNUKHRZURKHS-CYBMUJFWSA-N 2 0 259.397 2.659 20 0 CFADRP c1cnn(C2CC([NH2+]CCCCC[NH+]3CCCCC3)C2)c1 ZINC000638528005 384724134 /nfs/dbraw/zinc/72/41/34/384724134.db2.gz WURXCPSFQSIQMN-UHFFFAOYSA-N 2 0 290.455 2.832 20 0 CFADRP C(CC[NH2+]CCC[C@@H]1CCO1)CC[NH+]1CCCCC1 ZINC000638528017 384724265 /nfs/dbraw/zinc/72/42/65/384724265.db2.gz ZEZGDLZIRDTAME-MRXNPFEDSA-N 2 0 268.445 2.801 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000643544916 384724984 /nfs/dbraw/zinc/72/49/84/384724984.db2.gz QYYGQBHQQNMAFF-RFIAZXKJSA-N 2 0 292.467 2.687 20 0 CFADRP Cc1ncc([C@H](C)NC[C@@H]([NH3+])c2ccccc2)s1 ZINC000643508947 384680441 /nfs/dbraw/zinc/68/04/41/384680441.db2.gz VNGCHEKFZGRIBY-GXFFZTMASA-N 2 0 261.394 2.802 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000643509183 384680528 /nfs/dbraw/zinc/68/05/28/384680528.db2.gz DCGMERCILYQWOD-MEBBXXQBSA-N 2 0 266.335 2.541 20 0 CFADRP Clc1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000643509254 384680896 /nfs/dbraw/zinc/68/08/96/384680896.db2.gz PMQHPBXNZVIQPK-IAQYHMDHSA-N 2 0 264.800 2.917 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000643512089 384682393 /nfs/dbraw/zinc/68/23/93/384682393.db2.gz KFRKLTIAESITOJ-WCQGTBRESA-N 2 0 253.415 2.620 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CCC[NH2+]C1 ZINC000643518381 384684766 /nfs/dbraw/zinc/68/47/66/384684766.db2.gz AXFVAOJTCSEXBC-JKSUJKDBSA-N 2 0 280.362 2.931 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000643514092 384685078 /nfs/dbraw/zinc/68/50/78/384685078.db2.gz WJEGZMHESYOXKV-APHBMKBZSA-N 2 0 262.397 2.754 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCc3ccccc3C2)CCC[NH2+]C1 ZINC000643518735 384685217 /nfs/dbraw/zinc/68/52/17/384685217.db2.gz XLJDNUABQZIABI-ROUUACIJSA-N 2 0 272.436 2.913 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000643521011 384686582 /nfs/dbraw/zinc/68/65/82/384686582.db2.gz ZFWLGOKZDRFFOS-JLZZUVOBSA-N 2 0 273.424 2.624 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643521367 384686906 /nfs/dbraw/zinc/68/69/06/384686906.db2.gz AWAHSVNIVWHDNP-ZBFHGGJFSA-N 2 0 292.423 2.505 20 0 CFADRP Oc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522164 384689060 /nfs/dbraw/zinc/68/90/60/384689060.db2.gz JAMVRLCCBYLNKD-IUODEOHRSA-N 2 0 260.381 2.501 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522166 384689103 /nfs/dbraw/zinc/68/91/03/384689103.db2.gz JAMVRLCCBYLNKD-WFASDCNBSA-N 2 0 260.381 2.501 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000643522593 384689397 /nfs/dbraw/zinc/68/93/97/384689397.db2.gz PTPKXSJOCVHJCB-HOCLYGCPSA-N 2 0 262.397 2.878 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643523232 384691781 /nfs/dbraw/zinc/69/17/81/384691781.db2.gz YCDKXYQJVCJQRN-NWDGAFQWSA-N 2 0 279.453 2.815 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000643524330 384693722 /nfs/dbraw/zinc/69/37/22/384693722.db2.gz ICOSQEYMAQOTCF-BRWVUGGUSA-N 2 0 258.409 2.794 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000643526516 384696210 /nfs/dbraw/zinc/69/62/10/384696210.db2.gz ADVJAJWGWVKIQO-XFWSIPNHSA-N 2 0 258.818 2.830 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000643527464 384698163 /nfs/dbraw/zinc/69/81/63/384698163.db2.gz NDYKYKSPADZPJK-YGRLFVJLSA-N 2 0 252.789 2.598 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000643527463 384698381 /nfs/dbraw/zinc/69/83/81/384698381.db2.gz NDYKYKSPADZPJK-QMTHXVAHSA-N 2 0 252.789 2.598 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000643527452 384699191 /nfs/dbraw/zinc/69/91/91/384699191.db2.gz NCAYETPNDPZWAC-SUHUHFCYSA-N 2 0 252.789 2.913 20 0 CFADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 ZINC000643528935 384700794 /nfs/dbraw/zinc/70/07/94/384700794.db2.gz RBDPQYWMMRHDNN-WFVIONGDSA-N 2 0 276.424 2.899 20 0 CFADRP Cc1nc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c(C)s1 ZINC000643533239 384705378 /nfs/dbraw/zinc/70/53/78/384705378.db2.gz XIRKBPSFJOYZLN-NXEZZACHSA-N 2 0 255.431 2.928 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c(C)s1 ZINC000643533240 384705450 /nfs/dbraw/zinc/70/54/50/384705450.db2.gz XIRKBPSFJOYZLN-UWVGGRQHSA-N 2 0 255.431 2.928 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534331 384705767 /nfs/dbraw/zinc/70/57/67/384705767.db2.gz QWVZTORTZNQESV-JKSUJKDBSA-N 2 0 256.393 2.796 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533921 384705883 /nfs/dbraw/zinc/70/58/83/384705883.db2.gz HTWZCSCYGJCOBZ-LSDHHAIUSA-N 2 0 260.356 2.545 20 0 CFADRP CCC[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534744 384706909 /nfs/dbraw/zinc/70/69/09/384706909.db2.gz BLQYDVCPAHMSCJ-GJZGRUSLSA-N 2 0 259.397 2.655 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534645 384706974 /nfs/dbraw/zinc/70/69/74/384706974.db2.gz ZFJONARFIWXSBQ-HZPDHXFCSA-N 2 0 256.393 2.714 20 0 CFADRP CC(C)C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534902 384707559 /nfs/dbraw/zinc/70/75/59/384707559.db2.gz FMGHFABSFMEQAW-JKSUJKDBSA-N 2 0 273.424 2.901 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536017 384709707 /nfs/dbraw/zinc/70/97/07/384709707.db2.gz LZNYDBGFHSUIAF-BFHYXJOUSA-N 2 0 254.393 2.637 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCCO2 ZINC000643536527 384711412 /nfs/dbraw/zinc/71/14/12/384711412.db2.gz UPLNDCUMDGQJOP-NVXWUHKLSA-N 2 0 286.419 2.940 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536321 384711536 /nfs/dbraw/zinc/71/15/36/384711536.db2.gz SVHLUNUWLKBVLV-GJZGRUSLSA-N 2 0 259.397 2.510 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536922 384714228 /nfs/dbraw/zinc/71/42/28/384714228.db2.gz XHCSMPBMUWFNIC-KBUPBQIOSA-N 2 0 250.430 2.933 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000643541134 384722100 /nfs/dbraw/zinc/72/21/00/384722100.db2.gz OQRRTMRZWOYSMD-XZJROXQQSA-N 2 0 277.387 2.779 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000643549111 384729434 /nfs/dbraw/zinc/72/94/34/384729434.db2.gz BAZCWSGXIQBMDW-CADBVGFASA-N 2 0 284.447 2.912 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](OC)C2CC2)c1 ZINC000638562294 384741879 /nfs/dbraw/zinc/74/18/79/384741879.db2.gz BBMSTIWPNIHVMW-KRWDZBQOSA-N 2 0 276.424 2.653 20 0 CFADRP CO[C@@H](C[NH2+]CCC1CC[NH+](C)CC1)C1CCCC1 ZINC000638566142 384746362 /nfs/dbraw/zinc/74/63/62/384746362.db2.gz BOMXZOMVHAYWKF-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@H](CC(C)C)OC)CC1 ZINC000638566073 384746999 /nfs/dbraw/zinc/74/69/99/384746999.db2.gz ZKVVCFTZHHYMIH-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP Cn1c(C[NH2+]CCC2CC[NH+](C)CC2)cc2ccccc21 ZINC000638567088 384748096 /nfs/dbraw/zinc/74/80/96/384748096.db2.gz VEQPQJFLICTFCV-UHFFFAOYSA-N 2 0 285.435 3.000 20 0 CFADRP C[C@H]1C[C@H](N(C)Cc2ccnn2-c2ccccc2)CC[N@@H+]1C ZINC000279847407 384785731 /nfs/dbraw/zinc/78/57/31/384785731.db2.gz OSRDAEUXBRCNJZ-DOTOQJQBSA-N 2 0 298.434 2.787 20 0 CFADRP Cc1ccncc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000269568535 384789669 /nfs/dbraw/zinc/78/96/69/384789669.db2.gz AEBISNQJWYYCNG-INIZCTEOSA-N 2 0 261.413 2.696 20 0 CFADRP COc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1F ZINC000643973767 384801092 /nfs/dbraw/zinc/80/10/92/384801092.db2.gz IOUIKANNBQCZPT-CYBMUJFWSA-N 2 0 292.398 2.798 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000680992471 542395694 /nfs/dbraw/zinc/39/56/94/542395694.db2.gz KSFGRKOJUCKLJV-BPQIPLTHSA-N 2 0 290.451 2.615 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[NH+](C)C)cc1OC ZINC000280088884 384879965 /nfs/dbraw/zinc/87/99/65/384879965.db2.gz YYPUYFROWIPAPY-ZIAGYGMSSA-N 2 0 294.439 2.737 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]CCC2CCOCC2)CC1 ZINC000638692473 384838837 /nfs/dbraw/zinc/83/88/37/384838837.db2.gz HLANGRPIMKVSHD-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)[C@@H]1CC1(F)F ZINC000638700756 384846446 /nfs/dbraw/zinc/84/64/46/384846446.db2.gz KTBJADGYNZGWIQ-XYTAGDGMSA-N 2 0 258.356 2.635 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000280126905 384894791 /nfs/dbraw/zinc/89/47/91/384894791.db2.gz CWXWUDZQKFVLDO-UHFFFAOYSA-N 2 0 296.418 2.532 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000638760133 384896709 /nfs/dbraw/zinc/89/67/09/384896709.db2.gz PKBUSZLTQPGSQL-HNNXBMFYSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000644522321 384915665 /nfs/dbraw/zinc/91/56/65/384915665.db2.gz MQKCYOURPBWFOY-HOTGVXAUSA-N 2 0 290.451 2.777 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000638787970 384919477 /nfs/dbraw/zinc/91/94/77/384919477.db2.gz WZKZWXSKNIHROS-KLAILNCOSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000644550905 384927058 /nfs/dbraw/zinc/92/70/58/384927058.db2.gz OAGZCMISVHQETA-OLZOCXBDSA-N 2 0 254.443 2.857 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638838920 384972331 /nfs/dbraw/zinc/97/23/31/384972331.db2.gz SJIXCATVVUMOAT-CVEARBPZSA-N 2 0 292.467 2.964 20 0 CFADRP COCC1(C[NH2+]Cc2cccc(C[NH+](C)C)c2)CCC1 ZINC000638850444 384984860 /nfs/dbraw/zinc/98/48/60/384984860.db2.gz MKJKRFRTIHONHF-UHFFFAOYSA-N 2 0 276.424 2.655 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC000638862783 384993888 /nfs/dbraw/zinc/99/38/88/384993888.db2.gz ITSKBWTXBLSBOE-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000337506599 285146327 /nfs/dbraw/zinc/14/63/27/285146327.db2.gz FYUGPCVDGKKYRR-ULQDDVLXSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H](CO)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000270321479 385053811 /nfs/dbraw/zinc/05/38/11/385053811.db2.gz YCPZGNCLWQFDGH-LZLYRXPVSA-N 2 0 290.451 2.505 20 0 CFADRP CC(C)C1(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000638903742 385024408 /nfs/dbraw/zinc/02/44/08/385024408.db2.gz UNRDWLYAFYNMFQ-UHFFFAOYSA-N 2 0 291.439 2.548 20 0 CFADRP CCOC1CC(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000639038106 385109607 /nfs/dbraw/zinc/10/96/07/385109607.db2.gz OTDVBZNKBVCKKU-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000639045926 385121943 /nfs/dbraw/zinc/12/19/43/385121943.db2.gz GIMQHYLRWDWEAN-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000639056775 385137468 /nfs/dbraw/zinc/13/74/68/385137468.db2.gz IAMMMJGXMHJETK-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000270395636 385087156 /nfs/dbraw/zinc/08/71/56/385087156.db2.gz UDWKYPLCULTJCN-MRXNPFEDSA-N 2 0 291.439 2.581 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(CO)c1 ZINC000270406031 385091483 /nfs/dbraw/zinc/09/14/83/385091483.db2.gz AZQLKOPHODTRKV-INIZCTEOSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(CO)c1 ZINC000270416488 385095404 /nfs/dbraw/zinc/09/54/04/385095404.db2.gz DJDWYBCMEQXLAD-HNNXBMFYSA-N 2 0 276.424 2.706 20 0 CFADRP CC[C@@H]1CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000644843465 385100372 /nfs/dbraw/zinc/10/03/72/385100372.db2.gz LMDUANRQBPWRJK-OAHLLOKOSA-N 2 0 262.397 2.611 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1O ZINC000639095317 385182434 /nfs/dbraw/zinc/18/24/34/385182434.db2.gz ZLWSVWOKSDFLKA-GOEBONIOSA-N 2 0 276.424 2.624 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)OC ZINC000639108802 385202293 /nfs/dbraw/zinc/20/22/93/385202293.db2.gz LLSBEFPJJJBXFX-BBRMVZONSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000639081290 385162194 /nfs/dbraw/zinc/16/21/94/385162194.db2.gz GLJSKXTUFRAHRH-OWCLPIDISA-N 2 0 262.441 2.983 20 0 CFADRP CCc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)nc1 ZINC000645083296 385178576 /nfs/dbraw/zinc/17/85/76/385178576.db2.gz JAIWFKBIHQQDPH-INIZCTEOSA-N 2 0 270.380 2.678 20 0 CFADRP COC1(CC[N@@H+]2CCC[C@H](n3ccnc3C)C2)CCC1 ZINC000645085067 385179288 /nfs/dbraw/zinc/17/92/88/385179288.db2.gz DZFLEGLYDUSJBR-HNNXBMFYSA-N 2 0 277.412 2.788 20 0 CFADRP Cc1ccc(CC[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000639121264 385218962 /nfs/dbraw/zinc/21/89/62/385218962.db2.gz OUFPRACBUGHVCX-QGZVFWFLSA-N 2 0 290.451 2.628 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)OC ZINC000639124958 385224884 /nfs/dbraw/zinc/22/48/84/385224884.db2.gz OBDKMIBAXRIRAT-LBDPXKHJSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](F)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645197184 385236339 /nfs/dbraw/zinc/23/63/39/385236339.db2.gz PVTBDGYDTKJTHD-HNNXBMFYSA-N 2 0 294.414 2.999 20 0 CFADRP CC(C)C1(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000639173144 385278846 /nfs/dbraw/zinc/27/88/46/385278846.db2.gz UZTFIXDUSRDSJX-QGZVFWFLSA-N 2 0 293.499 2.523 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2nccnc2c1 ZINC000639174432 385279809 /nfs/dbraw/zinc/27/98/09/385279809.db2.gz AYMUGZFUUDVVPG-UHFFFAOYSA-N 2 0 286.423 2.794 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CCCC1 ZINC000639177554 385286569 /nfs/dbraw/zinc/28/65/69/385286569.db2.gz FKHBHKNPGFTLMM-BRWVUGGUSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc2ccccc2n1C ZINC000639178139 385289325 /nfs/dbraw/zinc/28/93/25/385289325.db2.gz IQQNSHSJYPFQER-PBHICJAKSA-N 2 0 285.435 2.950 20 0 CFADRP Cc1cc(C[NH2+]CCCCC[NH+]2CCCC2)sn1 ZINC000639209784 385333156 /nfs/dbraw/zinc/33/31/56/385333156.db2.gz DVVOQROEFMFJSP-UHFFFAOYSA-N 2 0 267.442 2.807 20 0 CFADRP CO[C@H](C)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282532941 385336041 /nfs/dbraw/zinc/33/60/41/385336041.db2.gz QPKGZNYEYOKGJZ-WBVHZDCISA-N 2 0 290.451 2.912 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]C(C)(C)CCC[NH+](C)C)c(C)n1 ZINC000639230539 385358542 /nfs/dbraw/zinc/35/85/42/385358542.db2.gz CBAMAIOMWKOYSH-ZDUSSCGKSA-N 2 0 278.444 2.864 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000639261264 385390456 /nfs/dbraw/zinc/39/04/56/385390456.db2.gz MDZUUBYREHCCTK-WBVHZDCISA-N 2 0 294.483 2.638 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000271909239 385397950 /nfs/dbraw/zinc/39/79/50/385397950.db2.gz XNYWCULLTHXOTB-HNNXBMFYSA-N 2 0 278.346 2.804 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000639274556 385403939 /nfs/dbraw/zinc/40/39/39/385403939.db2.gz DHQBLVXJPQNJAF-UHFFFAOYSA-N 2 0 273.380 2.790 20 0 CFADRP COc1cccc(C)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000639275275 385404024 /nfs/dbraw/zinc/40/40/24/385404024.db2.gz HHZATQKHVMBWRV-UHFFFAOYSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC1(F)F ZINC000639285671 385412828 /nfs/dbraw/zinc/41/28/28/385412828.db2.gz IUOZLMIUOOFOPR-OJLVUWQFSA-N 2 0 294.389 2.965 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000571226074 322575961 /nfs/dbraw/zinc/57/59/61/322575961.db2.gz IESWQCOUXFXNCM-FPCVCCKLSA-N 2 0 268.445 2.830 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H]2CCN2C2CCCCC2)C1 ZINC000639346323 385469335 /nfs/dbraw/zinc/46/93/35/385469335.db2.gz SGEQBEMVSVINLV-WIHSUSGWSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000639350820 385473634 /nfs/dbraw/zinc/47/36/34/385473634.db2.gz QOCBSJNVLXSSBS-OAHLLOKOSA-N 2 0 280.456 2.558 20 0 CFADRP CO[C@@](C)(C[NH2+]CC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000639335366 385461186 /nfs/dbraw/zinc/46/11/86/385461186.db2.gz QUEDBCMCNUYRPL-KRWDZBQOSA-N 2 0 280.456 2.513 20 0 CFADRP c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)onc1C1CC1 ZINC000639335981 385461456 /nfs/dbraw/zinc/46/14/56/385461456.db2.gz ZDHYDYPYOGBRGA-UHFFFAOYSA-N 2 0 289.423 2.764 20 0 CFADRP c1c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)onc1C1CC1 ZINC000639336296 385462660 /nfs/dbraw/zinc/46/26/60/385462660.db2.gz BCSUODUPHBGPDH-CQSZACIVSA-N 2 0 289.423 2.764 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000639374541 385491438 /nfs/dbraw/zinc/49/14/38/385491438.db2.gz GWAZDPLJMIWIKW-CQSZACIVSA-N 2 0 268.470 2.690 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375298 385492195 /nfs/dbraw/zinc/49/21/95/385492195.db2.gz SUELIRQNBGZULI-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC2CCOCC2)CC1 ZINC000639376456 385493241 /nfs/dbraw/zinc/49/32/41/385493241.db2.gz KGBNPZVXYWWLAP-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000639376249 385493554 /nfs/dbraw/zinc/49/35/54/385493554.db2.gz ZUZBPPYEVAZQFM-MRXNPFEDSA-N 2 0 280.456 2.753 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000639378552 385495350 /nfs/dbraw/zinc/49/53/50/385495350.db2.gz IFHSLHQSCVSIHW-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312401 385507727 /nfs/dbraw/zinc/50/77/27/385507727.db2.gz JASHFCILFSGDGB-UOVPBQLFSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@@H]1CCC[N@@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284089645 385533775 /nfs/dbraw/zinc/53/37/75/385533775.db2.gz LVYLPAQONBGIIG-AEFFLSMTSA-N 2 0 288.435 2.762 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000272513443 385556625 /nfs/dbraw/zinc/55/66/25/385556625.db2.gz PBYIZRZSRXXKKK-UHFFFAOYSA-N 2 0 290.451 2.733 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000639495982 385560214 /nfs/dbraw/zinc/56/02/14/385560214.db2.gz LGGMXMWLCOGIGR-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CC[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572564 385566149 /nfs/dbraw/zinc/56/61/49/385566149.db2.gz INLCTDRIUPYPKY-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@@H](O)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286375816 385601558 /nfs/dbraw/zinc/60/15/58/385601558.db2.gz ZUEGHSIXXYDPFE-FAEJEUNOSA-N 2 0 290.451 2.790 20 0 CFADRP Cc1nccn1CC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286310142 385586273 /nfs/dbraw/zinc/58/62/73/385586273.db2.gz XBVMPKXFQKPJDI-HNNXBMFYSA-N 2 0 287.411 2.826 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000122321792 413004570 /nfs/dbraw/zinc/00/45/70/413004570.db2.gz WTAXQZJRTXXDRR-DOMZBBRYSA-N 2 0 258.365 2.992 20 0 CFADRP C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579753 385593037 /nfs/dbraw/zinc/59/30/37/385593037.db2.gz KMVBKFKSPBSGGT-DZGCQCFKSA-N 2 0 289.423 2.530 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288715469 197150809 /nfs/dbraw/zinc/15/08/09/197150809.db2.gz ZNOMVYFJYMVOBB-GDBMZVCRSA-N 2 0 291.439 2.690 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc(F)cc2C)CC[C@@H]1[NH3+] ZINC000122339019 413005609 /nfs/dbraw/zinc/00/56/09/413005609.db2.gz TUKIFHMRVSBUOM-WFASDCNBSA-N 2 0 250.361 2.693 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCc3cccc(F)c3F)C2)CC1 ZINC000639756668 385698096 /nfs/dbraw/zinc/69/80/96/385698096.db2.gz BFQJSMLEMPPGSJ-UHFFFAOYSA-N 2 0 294.389 2.925 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758581 385698143 /nfs/dbraw/zinc/69/81/43/385698143.db2.gz VKJPYQUPTPKYAQ-UHFFFAOYSA-N 2 0 287.451 2.670 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCOc3ccccc3F)C2)CC1 ZINC000639763525 385699785 /nfs/dbraw/zinc/69/97/85/385699785.db2.gz QYHOHCJNHMEBII-UHFFFAOYSA-N 2 0 292.398 2.622 20 0 CFADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000639761064 385699962 /nfs/dbraw/zinc/69/99/62/385699962.db2.gz FTVJGPVLCVZYNP-IBGZPJMESA-N 2 0 298.430 2.728 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)CC1 ZINC000272956507 385667182 /nfs/dbraw/zinc/66/71/82/385667182.db2.gz PCHBLVLESRSIQW-SUMWQHHRSA-N 2 0 294.414 2.710 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)CC1 ZINC000272956504 385667645 /nfs/dbraw/zinc/66/76/45/385667645.db2.gz PCHBLVLESRSIQW-GUYCJALGSA-N 2 0 294.414 2.710 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC000274213147 385740160 /nfs/dbraw/zinc/74/01/60/385740160.db2.gz INKPJDRAJXYEIJ-MRXNPFEDSA-N 2 0 296.842 2.621 20 0 CFADRP CC[C@](C)(NC[C@@H](O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC000639928786 385778518 /nfs/dbraw/zinc/77/85/18/385778518.db2.gz OHVCQWDGMRPCCM-SJORKVTESA-N 2 0 296.430 2.742 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981712 385802072 /nfs/dbraw/zinc/80/20/72/385802072.db2.gz PGRBWUBYHKWEPF-QGZVFWFLSA-N 3 0 293.499 2.811 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)CCOC)CC1 ZINC000639987262 385807932 /nfs/dbraw/zinc/80/79/32/385807932.db2.gz ZQDCPCXBQWKHMJ-HNNXBMFYSA-N 2 0 268.445 2.752 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274899572 385893607 /nfs/dbraw/zinc/89/36/07/385893607.db2.gz KVLUSYZPLVBLJQ-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000274752690 385864078 /nfs/dbraw/zinc/86/40/78/385864078.db2.gz BHWJSQULRCPDKW-IIDMSEBBSA-N 2 0 290.451 2.910 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccccc1F ZINC000275238005 385962957 /nfs/dbraw/zinc/96/29/57/385962957.db2.gz GINYTZPKNOGITL-DOMZBBRYSA-N 2 0 250.361 2.598 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccn(-c2ccccc2)n1 ZINC000275318432 385974700 /nfs/dbraw/zinc/97/47/00/385974700.db2.gz XHOSGSAWFNUQPR-MAUKXSAKSA-N 2 0 298.434 2.644 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000276809312 386049353 /nfs/dbraw/zinc/04/93/53/386049353.db2.gz NRUQEBKGBFDPMG-SWLSCSKDSA-N 2 0 262.397 2.699 20 0 CFADRP CCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000276932123 386083925 /nfs/dbraw/zinc/08/39/25/386083925.db2.gz OLDOMJPHOPSIEG-CABCVRRESA-N 2 0 282.453 2.636 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000423242972 533176254 /nfs/dbraw/zinc/17/62/54/533176254.db2.gz FYJHJBRUBYKVFK-QLFBSQMISA-N 2 0 276.424 2.776 20 0 CFADRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000247067646 285234849 /nfs/dbraw/zinc/23/48/49/285234849.db2.gz ODHITVKDUJBYPW-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)c1ccc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000681111657 542413629 /nfs/dbraw/zinc/41/36/29/542413629.db2.gz BWKYQAVKOBRGQN-IRXDYDNUSA-N 2 0 258.409 2.504 20 0 CFADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CCCC1 ZINC000126050875 413017804 /nfs/dbraw/zinc/01/78/04/413017804.db2.gz ZGSXUINHJYMLKM-UHFFFAOYSA-N 2 0 274.408 2.757 20 0 CFADRP COc1cnccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001243078072 781976892 /nfs/dbraw/zinc/97/68/92/781976892.db2.gz SZQWKSULCWYDPA-UHFFFAOYSA-N 2 0 297.402 2.680 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCCC1 ZINC000422889931 533211247 /nfs/dbraw/zinc/21/12/47/533211247.db2.gz QWPQSEAIKZEMPB-HUUCEWRRSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]2c2cccn2C)CC[NH2+]1 ZINC000414674239 297399659 /nfs/dbraw/zinc/39/96/59/297399659.db2.gz DKGWYTVNVBBOLG-IIAWOOMASA-N 2 0 261.413 2.550 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682131931 542524379 /nfs/dbraw/zinc/52/43/79/542524379.db2.gz MWNQKIBYUZVTHH-CZUORRHYSA-N 2 0 262.397 2.515 20 0 CFADRP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047971542 285348393 /nfs/dbraw/zinc/34/83/93/285348393.db2.gz FQPPYWKQHFKVDG-GOSISDBHSA-N 2 0 288.435 2.528 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108163 781992316 /nfs/dbraw/zinc/99/23/16/781992316.db2.gz MWDLVXKYDJPXRA-INIZCTEOSA-N 2 0 257.381 2.615 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000682641647 542574942 /nfs/dbraw/zinc/57/49/42/542574942.db2.gz FLBMFKIDXOBUMC-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)CCC[NH+]2CCCCC2)C[C@H]1C ZINC000444615622 285369420 /nfs/dbraw/zinc/36/94/20/285369420.db2.gz ALKSWHWDYCJFSI-IAGOWNOFSA-N 2 0 281.488 2.667 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000234802505 285373938 /nfs/dbraw/zinc/37/39/38/285373938.db2.gz PUYQJLOMWNHBFP-HOCLYGCPSA-N 2 0 294.439 2.878 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361081803 285394054 /nfs/dbraw/zinc/39/40/54/285394054.db2.gz SNHTUYIWTPMAFJ-VBQJREDUSA-N 2 0 286.419 2.986 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCCO2 ZINC000423490264 533301708 /nfs/dbraw/zinc/30/17/08/533301708.db2.gz HQBXFJQLCAWEOG-DVOMOZLQSA-N 2 0 290.407 2.626 20 0 CFADRP C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422730197 533351211 /nfs/dbraw/zinc/35/12/11/533351211.db2.gz LTFNEADXZOZOFX-ZMSDIMECSA-N 2 0 289.467 2.846 20 0 CFADRP COc1ccc2oc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cc2c1 ZINC000414826176 533355612 /nfs/dbraw/zinc/35/56/12/533355612.db2.gz DXXXFNSOYKDZHZ-LBPRGKRZSA-N 2 0 274.364 2.531 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000423473263 533388869 /nfs/dbraw/zinc/38/88/69/533388869.db2.gz GNCNFGNJKUOZOO-OCCSQVGLSA-N 2 0 276.380 2.598 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000444604804 533358561 /nfs/dbraw/zinc/35/85/61/533358561.db2.gz BSAAEFCFPCCQEI-KRWDZBQOSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423000887 533359635 /nfs/dbraw/zinc/35/96/35/533359635.db2.gz WBLHWDNJJMKHJH-ZBFHGGJFSA-N 2 0 258.409 2.739 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCOCC1 ZINC000432781286 533365172 /nfs/dbraw/zinc/36/51/72/533365172.db2.gz QPAUYJHFRHGDPZ-FUHWJXTLSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@@H]([NH2+]CC1CCC(F)(F)CC1)[C@H]1CCCC[NH2+]1 ZINC000423104013 533366278 /nfs/dbraw/zinc/36/62/78/533366278.db2.gz BHCRARIVAXRFQT-DGCLKSJQSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423347824 533366728 /nfs/dbraw/zinc/36/67/28/533366728.db2.gz RHKZIXIONCMSJK-LLVKDONJSA-N 2 0 250.773 2.910 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422763143 533384440 /nfs/dbraw/zinc/38/44/40/533384440.db2.gz SZAHDPWXLBZJJN-GDBMZVCRSA-N 2 0 261.413 2.609 20 0 CFADRP COc1ccc2cc(C[NH2+]CC[C@H]3CC[NH2+]C3)ccc2c1 ZINC000414830230 533330337 /nfs/dbraw/zinc/33/03/37/533330337.db2.gz LUVSEVOYSSNMCD-CQSZACIVSA-N 2 0 284.403 2.938 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C(C)(C)C)cc1 ZINC000423200468 533394931 /nfs/dbraw/zinc/39/49/31/533394931.db2.gz FTKSZRRWYGVTGJ-OAHLLOKOSA-N 2 0 289.467 2.540 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000414857169 533455703 /nfs/dbraw/zinc/45/57/03/533455703.db2.gz PAUKTXFFTXCNDV-YPMHNXCESA-N 2 0 252.789 2.818 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423172800 533410973 /nfs/dbraw/zinc/41/09/73/533410973.db2.gz VIJNRKROQIOSPX-YNEHKIRRSA-N 2 0 250.386 2.780 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000423123554 533436754 /nfs/dbraw/zinc/43/67/54/533436754.db2.gz MUDDGUKNGKBHCY-SJORKVTESA-N 2 0 288.435 2.976 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000423160329 533526508 /nfs/dbraw/zinc/52/65/08/533526508.db2.gz QKQUBLDYIJFKJT-XSCHDIRWSA-N 2 0 270.486 2.886 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000422726344 533504521 /nfs/dbraw/zinc/50/45/21/533504521.db2.gz DQCOXHJFOPTLPK-VHSXEESVSA-N 2 0 272.314 2.964 20 0 CFADRP COc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1OC(C)C ZINC000414832303 533511804 /nfs/dbraw/zinc/51/18/04/533511804.db2.gz OMWOFOKAPQZQGE-CQSZACIVSA-N 2 0 292.423 2.572 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422775934 533512195 /nfs/dbraw/zinc/51/21/95/533512195.db2.gz CNCGKJIHSKGLFK-ZQIUZPCESA-N 2 0 276.424 2.746 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414944899 533513113 /nfs/dbraw/zinc/51/31/13/533513113.db2.gz QRAMYRJQHUBMHC-JKIFEVAISA-N 2 0 276.424 2.604 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415027241 533513589 /nfs/dbraw/zinc/51/35/89/533513589.db2.gz ASFASRVWMKCBAY-BPUTZDHNSA-N 2 0 276.424 2.733 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414900016 533579005 /nfs/dbraw/zinc/57/90/05/533579005.db2.gz VKHDJZZPMAYTDG-JTQLQIEISA-N 2 0 258.768 2.739 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000423119381 533553603 /nfs/dbraw/zinc/55/36/03/533553603.db2.gz CFJGZNVFYFUIIY-IMJJTQAJSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000422914605 533553825 /nfs/dbraw/zinc/55/38/25/533553825.db2.gz UYVYXMIEAWAGLN-NSHDSACASA-N 2 0 296.365 2.691 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422837114 533553903 /nfs/dbraw/zinc/55/39/03/533553903.db2.gz LLHLTVJAWVBAPL-LSDHHAIUSA-N 2 0 295.496 2.677 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000422852798 533608393 /nfs/dbraw/zinc/60/83/93/533608393.db2.gz BIJWNVXOBGKWCP-CHWSQXEVSA-N 2 0 280.412 2.790 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCC[NH3+] ZINC000423343565 533652539 /nfs/dbraw/zinc/65/25/39/533652539.db2.gz ZYROWMYENXLSHI-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1([NH3+])CCC1 ZINC000423325736 533655007 /nfs/dbraw/zinc/65/50/07/533655007.db2.gz LKZQHTCMNRFBLE-NSHDSACASA-N 2 0 268.351 2.757 20 0 CFADRP COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1OCCC(C)C ZINC000414881789 533671146 /nfs/dbraw/zinc/67/11/46/533671146.db2.gz SSFCEOTXGLCOTF-CQSZACIVSA-N 2 0 294.439 2.805 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000341880401 130105262 /nfs/dbraw/zinc/10/52/62/130105262.db2.gz WFZXAIATXROHOR-INIZCTEOSA-N 2 0 278.440 2.552 20 0 CFADRP Cc1ccnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000683007099 542626038 /nfs/dbraw/zinc/62/60/38/542626038.db2.gz ZACWFFVLWNWKEY-UHFFFAOYSA-N 2 0 275.440 2.942 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)o1 ZINC000020439431 542632979 /nfs/dbraw/zinc/63/29/79/542632979.db2.gz XBLSCFFBIWTNML-CQSZACIVSA-N 2 0 293.455 2.573 20 0 CFADRP c1coc(C[NH2+]Cc2cccc(-n3ccnc3)c2)c1 ZINC000355703466 130339292 /nfs/dbraw/zinc/33/92/92/130339292.db2.gz TXNRMCSAJVOWBM-UHFFFAOYSA-N 2 0 253.305 2.755 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC000356190743 130384117 /nfs/dbraw/zinc/38/41/17/130384117.db2.gz RKFKBCRATOWKKR-QWHCGFSZSA-N 2 0 256.459 2.735 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC000356190744 130384396 /nfs/dbraw/zinc/38/43/96/130384396.db2.gz RKFKBCRATOWKKR-STQMWFEESA-N 2 0 256.459 2.735 20 0 CFADRP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2C[NH2+]C2)CCC3)cc1 ZINC000423305471 285468603 /nfs/dbraw/zinc/46/86/03/285468603.db2.gz QSCYMMDGPKHOIE-AWEZNQCLSA-N 2 0 299.443 2.997 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([NH3+])CCCCC1 ZINC000237050448 131000507 /nfs/dbraw/zinc/00/05/07/131000507.db2.gz KRQSGOOIEMOYBZ-UHFFFAOYSA-N 2 0 289.423 2.657 20 0 CFADRP C[C@@H]1CO[C@H](c2ccccc2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000245591379 131087442 /nfs/dbraw/zinc/08/74/42/131087442.db2.gz GLCKPAQNXYZENW-NXHRZFHOSA-N 2 0 288.435 2.933 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000245682528 131087480 /nfs/dbraw/zinc/08/74/80/131087480.db2.gz MXHBMJLDTGXKHI-WTTBNOFXSA-N 2 0 276.424 2.571 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccccc3F)CC[C@H]21 ZINC000248911853 131119032 /nfs/dbraw/zinc/11/90/32/131119032.db2.gz CGMLXXARHUWOQQ-NVXWUHKLSA-N 2 0 276.399 2.784 20 0 CFADRP c1ccc(SCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250534127 131126184 /nfs/dbraw/zinc/12/61/84/131126184.db2.gz IZWDALHDGTWARY-CABCVRRESA-N 2 0 276.449 2.995 20 0 CFADRP CCOCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000264058329 131388538 /nfs/dbraw/zinc/38/85/38/131388538.db2.gz VPMSRDYPLCKTRD-UHFFFAOYSA-N 2 0 290.451 2.867 20 0 CFADRP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000268837990 132074859 /nfs/dbraw/zinc/07/48/59/132074859.db2.gz DTXCGFWDIGQVPZ-NUJGCVRESA-N 2 0 289.467 2.579 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000268843292 132075701 /nfs/dbraw/zinc/07/57/01/132075701.db2.gz NZQSYKZUGMSUQI-NJAFHUGGSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)COC1 ZINC000268885979 132082969 /nfs/dbraw/zinc/08/29/69/132082969.db2.gz MUNJRFNYXZXGKV-DOTOQJQBSA-N 2 0 288.435 2.523 20 0 CFADRP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268902340 132085953 /nfs/dbraw/zinc/08/59/53/132085953.db2.gz QKPADOWTBGOKEN-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000269023591 132100908 /nfs/dbraw/zinc/10/09/08/132100908.db2.gz PZKPVMRORJMOBI-OLZOCXBDSA-N 2 0 262.397 2.708 20 0 CFADRP CCC(CC)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372451866 393449778 /nfs/dbraw/zinc/44/97/78/393449778.db2.gz RMKSXJWNECDVNP-KRWDZBQOSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)C[NH+]1CCCC1 ZINC000372999030 393460967 /nfs/dbraw/zinc/46/09/67/393460967.db2.gz JAKHZAADJSRTCG-JKSUJKDBSA-N 2 0 280.456 2.657 20 0 CFADRP CC[NH+]1CCN(c2cc(C(C)C)nc(C(C)C)n2)CC1 ZINC000301832444 393479125 /nfs/dbraw/zinc/47/91/25/393479125.db2.gz UBNLSIOMWTXBCK-UHFFFAOYSA-N 2 0 276.428 2.865 20 0 CFADRP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C1 ZINC000374169142 393485992 /nfs/dbraw/zinc/48/59/92/393485992.db2.gz DJKDGPCOOWUCNH-XDNAFOTISA-N 2 0 294.483 2.734 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CCC(F)(F)F)C2)CC1 ZINC000374177154 393487648 /nfs/dbraw/zinc/48/76/48/393487648.db2.gz VDWYQVSNZXNJGZ-UHFFFAOYSA-N 2 0 264.335 2.747 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305771731 393502745 /nfs/dbraw/zinc/50/27/45/393502745.db2.gz RSYUOCUYBJYYKW-NXNVCVFFSA-N 2 0 282.472 2.779 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cs1 ZINC000310151348 393519110 /nfs/dbraw/zinc/51/91/10/393519110.db2.gz FWWNAHFCLJYSKQ-GFCCVEGCSA-N 2 0 252.427 2.878 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000376595659 393522963 /nfs/dbraw/zinc/52/29/63/393522963.db2.gz POJFNASRHNLELF-IKGGRYGDSA-N 2 0 280.456 2.752 20 0 CFADRP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCC34CCOCC4)CC[N@@H+]2C1 ZINC000376586250 393523099 /nfs/dbraw/zinc/52/30/99/393523099.db2.gz KJOPWFGLKFDXPV-ARFHVFGLSA-N 2 0 278.440 2.552 20 0 CFADRP Cc1ccc(OCCC[N@@H+](C)C2CC[NH2+]CC2)cc1C ZINC000036300372 393523954 /nfs/dbraw/zinc/52/39/54/393523954.db2.gz QCUYOZXGZHMHBG-UHFFFAOYSA-N 2 0 276.424 2.756 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)C12CCCC2 ZINC000378452149 393546218 /nfs/dbraw/zinc/54/62/18/393546218.db2.gz GFEGUJYTWZJRJT-CVEARBPZSA-N 2 0 278.440 2.576 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000380888929 393559042 /nfs/dbraw/zinc/55/90/42/393559042.db2.gz LDQULOHMYWQGAA-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP CC(C)[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000684362919 542793204 /nfs/dbraw/zinc/79/32/04/542793204.db2.gz YAFTWQWOJZQPMJ-ULQDDVLXSA-N 2 0 258.409 2.577 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188674237 393566771 /nfs/dbraw/zinc/56/67/71/393566771.db2.gz XAZXRMOFBWXXOM-JHNDHUHGSA-N 2 0 282.472 2.636 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C1 ZINC000684388114 542798558 /nfs/dbraw/zinc/79/85/58/542798558.db2.gz WECNKIWQVBHKIA-CKUJCDMFSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1 ZINC000684405092 542801538 /nfs/dbraw/zinc/80/15/38/542801538.db2.gz LOBHRYUJCMPPFJ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccsc1 ZINC000382075951 393569537 /nfs/dbraw/zinc/56/95/37/393569537.db2.gz DEOYSNLVRIRFMB-HNNXBMFYSA-N 2 0 295.496 2.815 20 0 CFADRP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000400221056 393599753 /nfs/dbraw/zinc/59/97/53/393599753.db2.gz WWQKUEAKCRDQTO-WMZOPIPTSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000334268352 393587758 /nfs/dbraw/zinc/58/77/58/393587758.db2.gz ONPGARNGPVWPSU-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP COc1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000048895051 393607686 /nfs/dbraw/zinc/60/76/86/393607686.db2.gz RIBKTHSUFJEAPH-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000191853440 393609480 /nfs/dbraw/zinc/60/94/80/393609480.db2.gz XHYJOHWVNWTNOY-SPUZQDLCSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)[C@H]1CC[NH3+] ZINC000404421794 393618011 /nfs/dbraw/zinc/61/80/11/393618011.db2.gz JCPATGJSUIJGGY-PMPSAXMXSA-N 2 0 280.456 2.928 20 0 CFADRP CC(C)[N@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411184650 393681309 /nfs/dbraw/zinc/68/13/09/393681309.db2.gz LHWIEWNBOGUSOS-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2occc21 ZINC000192942349 393637688 /nfs/dbraw/zinc/63/76/88/393637688.db2.gz JWDJHKCPGDVGQF-DZGCQCFKSA-N 2 0 280.412 2.603 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000193604112 393656863 /nfs/dbraw/zinc/65/68/63/393656863.db2.gz IVINOQWRWAPJHJ-HDICACEKSA-N 2 0 266.388 2.833 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC3(O)CCC3)C2)CC1 ZINC000411115707 393667205 /nfs/dbraw/zinc/66/72/05/393667205.db2.gz FINCSXYQQFLWLQ-QGZVFWFLSA-N 2 0 294.483 2.735 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000335502708 393672913 /nfs/dbraw/zinc/67/29/13/393672913.db2.gz WQZKVETYSXRZOY-KRWDZBQOSA-N 2 0 256.393 2.882 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000081569077 393735857 /nfs/dbraw/zinc/73/58/57/393735857.db2.gz TZIJDCVQNMTTJD-ZDUSSCGKSA-N 2 0 296.377 2.619 20 0 CFADRP CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H](C)CO ZINC000411743380 393745048 /nfs/dbraw/zinc/74/50/48/393745048.db2.gz HUEAZRBFIUXFRW-MRXNPFEDSA-N 2 0 290.451 2.875 20 0 CFADRP CCOCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336699715 393746426 /nfs/dbraw/zinc/74/64/26/393746426.db2.gz DCOFKPCSYIEVSX-SFHVURJKSA-N 2 0 290.451 2.867 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]1C ZINC000085098602 393750751 /nfs/dbraw/zinc/75/07/51/393750751.db2.gz IYGSFOHXYOYFPV-NYTXWWLZSA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000337340117 393757452 /nfs/dbraw/zinc/75/74/52/393757452.db2.gz PCQBPOQPABRMHR-CABCVRRESA-N 2 0 256.434 2.654 20 0 CFADRP Fc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000335634387 393685719 /nfs/dbraw/zinc/68/57/19/393685719.db2.gz NUBRUIVFWYXEMS-CABCVRRESA-N 2 0 262.372 2.647 20 0 CFADRP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c2c(O)cccc12 ZINC000684570969 542828585 /nfs/dbraw/zinc/82/85/85/542828585.db2.gz AVDYZZOZMBHRJM-LLVKDONJSA-N 2 0 259.353 2.693 20 0 CFADRP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c2c(O)cccc12 ZINC000684570970 542828453 /nfs/dbraw/zinc/82/84/53/542828453.db2.gz AVDYZZOZMBHRJM-NSHDSACASA-N 2 0 259.353 2.693 20 0 CFADRP C[C@H]([NH2+]CCc1cncs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514494 393720632 /nfs/dbraw/zinc/72/06/32/393720632.db2.gz GLOPHWNSSVIXPH-KBPBESRZSA-N 2 0 293.480 2.928 20 0 CFADRP C[C@H]([NH2+]CCC1(O)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518917 393722112 /nfs/dbraw/zinc/72/21/12/393722112.db2.gz QPJRZMLIESYMNJ-GJZGRUSLSA-N 2 0 280.456 2.534 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000223025248 393764696 /nfs/dbraw/zinc/76/46/96/393764696.db2.gz JRFNRGYWOPVLBP-KZNAEPCWSA-N 2 0 287.451 2.511 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000089150611 393765971 /nfs/dbraw/zinc/76/59/71/393765971.db2.gz ONTCLMDSKFBTDL-ZWNOBZJWSA-N 2 0 272.314 2.922 20 0 CFADRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CC1(C)C ZINC000414110960 393795941 /nfs/dbraw/zinc/79/59/41/393795941.db2.gz IOEAYKHLADSLIC-XHSDSOJGSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC[N@@H+]1C ZINC000414191907 393797519 /nfs/dbraw/zinc/79/75/19/393797519.db2.gz LOHWQNYLEJHTQW-SLBVQIDZSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414688878 393802372 /nfs/dbraw/zinc/80/23/72/393802372.db2.gz JZDLKODNZQDTIH-YFHUEUNASA-N 2 0 288.435 2.837 20 0 CFADRP Cc1cc(F)cc2c1C[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000414753169 393803876 /nfs/dbraw/zinc/80/38/76/393803876.db2.gz LUUOIKURBGRUJE-ZIAGYGMSSA-N 2 0 276.399 2.880 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000414763560 393804417 /nfs/dbraw/zinc/80/44/17/393804417.db2.gz CRXDXHBTMQEASN-ZBFHGGJFSA-N 2 0 252.446 2.990 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccc(F)c(F)c3C2)CC[NH2+]1 ZINC000414755700 393804442 /nfs/dbraw/zinc/80/44/42/393804442.db2.gz PJLSIPWNXKXKDQ-VXGBXAGGSA-N 2 0 280.362 2.711 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3c(F)cc(F)cc3C2)CC[NH2+]1 ZINC000414716467 393804704 /nfs/dbraw/zinc/80/47/04/393804704.db2.gz ZWGCVHJHIXOLLD-VXGBXAGGSA-N 2 0 280.362 2.711 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3N(C)CCCC3(C)C)C[C@H]2C1 ZINC000424347682 393837723 /nfs/dbraw/zinc/83/77/23/393837723.db2.gz KZIYXTCFJOABBL-JSRQGNBESA-N 2 0 294.483 2.900 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000414874184 393806658 /nfs/dbraw/zinc/80/66/58/393806658.db2.gz ILZOIOMAAMVENS-NXEZZACHSA-N 2 0 250.308 2.579 20 0 CFADRP C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)[C@H]1CCC[NH2+]C1 ZINC000414865080 393806799 /nfs/dbraw/zinc/80/67/99/393806799.db2.gz YWLGYWFSSFYUAR-DETPVDSQSA-N 2 0 278.827 2.785 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340227578 393837782 /nfs/dbraw/zinc/83/77/82/393837782.db2.gz BGCJTIPVISIWQQ-SCTDSRPQSA-N 2 0 299.462 2.648 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414940783 393808568 /nfs/dbraw/zinc/80/85/68/393808568.db2.gz KLHZGGKJIDPARR-PBHICJAKSA-N 2 0 260.425 2.940 20 0 CFADRP CCC[C@H](C)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415126963 393812252 /nfs/dbraw/zinc/81/22/52/393812252.db2.gz QOJFRUBMVNORMR-BPUTZDHNSA-N 2 0 268.445 2.641 20 0 CFADRP CCCC1CCC(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415107236 393812433 /nfs/dbraw/zinc/81/24/33/393812433.db2.gz KXACVLLEMDWCLY-GPANFISMSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000095967804 393813823 /nfs/dbraw/zinc/81/38/23/393813823.db2.gz XKQGSOSPYOBVMU-IAGOWNOFSA-N 2 0 289.467 2.590 20 0 CFADRP C[C@@]1([NH3+])CCCC[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000424350480 393838381 /nfs/dbraw/zinc/83/83/81/393838381.db2.gz XHHCKYKZCJFVQA-SMDDNHRTSA-N 2 0 278.400 2.563 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCOc1ccccc1F)CC[NH2+]CC2 ZINC000424302328 393817690 /nfs/dbraw/zinc/81/76/90/393817690.db2.gz ZEZOQFQWMKTRQM-AWEZNQCLSA-N 2 0 292.398 2.669 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424309221 393821880 /nfs/dbraw/zinc/82/18/80/393821880.db2.gz IBGCMXRYEOUWAE-USTZCAOPSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]1C[N@H+](CCCCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000339410386 393823823 /nfs/dbraw/zinc/82/38/23/393823823.db2.gz RNNZITJBQDZDQJ-RDJZCZTQSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)SCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428756 393825487 /nfs/dbraw/zinc/82/54/87/393825487.db2.gz MKCKBULJEAMAEG-AWEZNQCLSA-N 2 0 256.459 2.546 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000414828771 533672623 /nfs/dbraw/zinc/67/26/23/533672623.db2.gz MSLQRBUZXUCSJQ-AWEZNQCLSA-N 2 0 284.403 2.938 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000246833089 393886314 /nfs/dbraw/zinc/88/63/14/393886314.db2.gz GYWRUKHPVUJDFS-OWCLPIDISA-N 2 0 282.472 2.758 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000246824603 393886701 /nfs/dbraw/zinc/88/67/01/393886701.db2.gz BJBCQNGHXMWKIR-YALNPMBYSA-N 2 0 276.424 2.692 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344027025 393893552 /nfs/dbraw/zinc/89/35/52/393893552.db2.gz KPUDOPDMKCUGNI-SFHVURJKSA-N 2 0 291.483 2.953 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424386347 393842599 /nfs/dbraw/zinc/84/25/99/393842599.db2.gz XJDOVNVWLXGPJS-XFKAJCMBSA-N 2 0 272.436 2.971 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCCC1 ZINC000340467607 393843046 /nfs/dbraw/zinc/84/30/46/393843046.db2.gz VTXQNWHXGOUUTG-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP COCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246281738 393859458 /nfs/dbraw/zinc/85/94/58/393859458.db2.gz CEGPUFFQRUNYEN-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCC1 ZINC000246295560 393860056 /nfs/dbraw/zinc/86/00/56/393860056.db2.gz CSFAOSOKYZMRBU-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@H](C[NH+]1CCCC1)Nc1cc[nH+]c(C)c1Cl ZINC000684889273 542866120 /nfs/dbraw/zinc/86/61/20/542866120.db2.gz KDIHMIRKGOGQSC-GFCCVEGCSA-N 2 0 267.804 2.752 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000251660174 393933018 /nfs/dbraw/zinc/93/30/18/393933018.db2.gz FZSCGQSSBPSVFE-BARDWOONSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000346880135 393933536 /nfs/dbraw/zinc/93/35/36/393933536.db2.gz MSVPTDPHLASICP-AALSBFMBSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000346880141 393933991 /nfs/dbraw/zinc/93/39/91/393933991.db2.gz MSVPTDPHLASICP-UYJHQMFVSA-N 2 0 268.445 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000417366033 393951159 /nfs/dbraw/zinc/95/11/59/393951159.db2.gz OKWJGINWRGPKDK-WNRNVDISSA-N 2 0 286.419 2.720 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000347440558 393940207 /nfs/dbraw/zinc/94/02/07/393940207.db2.gz OMIJDYBPPLVHPX-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000347743470 393944380 /nfs/dbraw/zinc/94/43/80/393944380.db2.gz GBAABRZQRZEGRF-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474892391 393947599 /nfs/dbraw/zinc/94/75/99/393947599.db2.gz JGFUQMXEZPUVEK-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000121075720 393948494 /nfs/dbraw/zinc/94/84/94/393948494.db2.gz MZRAQDYGWFJYNR-SJLPKXTDSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2[nH+]1 ZINC000261836785 393950166 /nfs/dbraw/zinc/95/01/66/393950166.db2.gz VDSHVWQNFYZGTI-UONOGXRCSA-N 2 0 267.376 2.589 20 0 CFADRP NCc1nc(CN(C2CC2)[C@H]2CCCc3ccccc32)no1 ZINC000262124541 393953323 /nfs/dbraw/zinc/95/33/23/393953323.db2.gz CIDXNWPJGFRTKQ-HNNXBMFYSA-N 2 0 298.390 2.570 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430150824 393962495 /nfs/dbraw/zinc/96/24/95/393962495.db2.gz STLWMWNJWUESNT-SFHVURJKSA-N 2 0 288.435 2.785 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc(Br)cs1 ZINC000122365625 393967878 /nfs/dbraw/zinc/96/78/78/393967878.db2.gz FBPVRHXBJJVROD-RKDXNWHRSA-N 2 0 289.242 2.680 20 0 CFADRP CCC[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000486947169 393974463 /nfs/dbraw/zinc/97/44/63/393974463.db2.gz UEWOEAIEVDMPLK-ONEGZZNKSA-N 2 0 259.397 2.559 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C[C@@H]2CCSC2)CC1 ZINC000486959266 393975140 /nfs/dbraw/zinc/97/51/40/393975140.db2.gz ROHPCIINEQVJOA-HNNXBMFYSA-N 2 0 270.486 2.841 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430535430 393991181 /nfs/dbraw/zinc/99/11/81/393991181.db2.gz AMHDNSHDDDQJBM-ZBFHGGJFSA-N 2 0 276.424 2.687 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000487281928 393994320 /nfs/dbraw/zinc/99/43/20/393994320.db2.gz TZQCWYHJOHJBHO-QWHCGFSZSA-N 2 0 258.475 2.696 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417877658 394005744 /nfs/dbraw/zinc/00/57/44/394005744.db2.gz RQHMQRBOXAEPLX-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000432789557 394012818 /nfs/dbraw/zinc/01/28/18/394012818.db2.gz SXGOTVVIAMTBPD-OWCLPIDISA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540931 394015422 /nfs/dbraw/zinc/01/54/22/394015422.db2.gz RJJVFUSLEHXGNS-DOTOQJQBSA-N 2 0 280.456 2.515 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000437085885 394046278 /nfs/dbraw/zinc/04/62/78/394046278.db2.gz IKFMPUWCTJFNIH-XJKSGUPXSA-N 2 0 278.465 2.979 20 0 CFADRP C[C@H](CN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C[NH+](C)C ZINC000491594787 394053824 /nfs/dbraw/zinc/05/38/24/394053824.db2.gz TYRSYRMVSGFLNU-RYRKJORJSA-N 2 0 289.467 2.609 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000355125709 394058510 /nfs/dbraw/zinc/05/85/10/394058510.db2.gz DJTIRZJBMATWFK-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000128027693 394060944 /nfs/dbraw/zinc/06/09/44/394060944.db2.gz XMKKKHUULDTNEA-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP CC1CCC(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000355229229 394061448 /nfs/dbraw/zinc/06/14/48/394061448.db2.gz YSOIMQBCOJXNGF-KWXGJIJISA-N 2 0 294.483 2.996 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)CC1 ZINC000437703829 394070037 /nfs/dbraw/zinc/07/00/37/394070037.db2.gz WVFOYUFXMOMRAP-ZWKOTPCHSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000128533348 394071355 /nfs/dbraw/zinc/07/13/55/394071355.db2.gz YAOSTFYBCPNCNY-CHWSQXEVSA-N 2 0 279.472 2.510 20 0 CFADRP C[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@@H+]1C1CC1 ZINC000128532921 394071746 /nfs/dbraw/zinc/07/17/46/394071746.db2.gz YAOSTFYBCPNCNY-OLZOCXBDSA-N 2 0 279.472 2.510 20 0 CFADRP CCOC[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000128640427 394073378 /nfs/dbraw/zinc/07/33/78/394073378.db2.gz RJIFFVDNIMUPSY-HNNXBMFYSA-N 2 0 264.413 2.523 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000358312593 394103382 /nfs/dbraw/zinc/10/33/82/394103382.db2.gz BOWWDDZERVAIMU-GVDBMIGSSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH3+] ZINC000437793686 394076088 /nfs/dbraw/zinc/07/60/88/394076088.db2.gz NZQFUHAFRNSZKT-JTQLQIEISA-N 2 0 260.303 2.575 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000356605729 394078794 /nfs/dbraw/zinc/07/87/94/394078794.db2.gz HFHYYLWFFDXXRZ-SOUVJXGZSA-N 2 0 297.487 2.532 20 0 CFADRP CC(C)Oc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000128990136 394079889 /nfs/dbraw/zinc/07/98/89/394079889.db2.gz GPUCBQXIRIMSET-HOCLYGCPSA-N 2 0 276.424 2.904 20 0 CFADRP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)CC12CCC2 ZINC000357049515 394083886 /nfs/dbraw/zinc/08/38/86/394083886.db2.gz XMBGAWBRHFKHDI-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000129473847 394088847 /nfs/dbraw/zinc/08/88/47/394088847.db2.gz TUBXUNPMSIVICK-QAPCUYQASA-N 2 0 293.499 2.713 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000353524073 394031729 /nfs/dbraw/zinc/03/17/29/394031729.db2.gz ZQLGDPGKQJYSKK-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000419224602 394035075 /nfs/dbraw/zinc/03/50/75/394035075.db2.gz ZPPPCWBFVXVNRP-IAGOWNOFSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000488431125 394036863 /nfs/dbraw/zinc/03/68/63/394036863.db2.gz NZCPGAIMKWOIQJ-FZKCQIBNSA-N 2 0 252.446 2.990 20 0 CFADRP CCc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2[nH+]1 ZINC000420252132 394105778 /nfs/dbraw/zinc/10/57/78/394105778.db2.gz AHIBVNVZJHVGQA-KGLIPLIRSA-N 2 0 281.403 2.843 20 0 CFADRP COCCC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000282004373 394109314 /nfs/dbraw/zinc/10/93/14/394109314.db2.gz QRKPGZBXAHFLFJ-DLBZAZTESA-N 2 0 294.414 2.977 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000420273400 394112230 /nfs/dbraw/zinc/11/22/30/394112230.db2.gz NKABIRGCQFTYBE-UHFFFAOYSA-N 2 0 286.778 2.542 20 0 CFADRP c1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n2c1CCCC2 ZINC000282048704 394115995 /nfs/dbraw/zinc/11/59/95/394115995.db2.gz LZIIBZWLFRQPJL-MRXNPFEDSA-N 2 0 296.418 2.994 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4c3cccc4Cl)C[C@@H]12 ZINC000420313810 394117048 /nfs/dbraw/zinc/11/70/48/394117048.db2.gz UNRQZEYDTCAGEM-YEHMFOAPSA-N 2 0 276.811 2.996 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000420366971 394117964 /nfs/dbraw/zinc/11/79/64/394117964.db2.gz RSBIPVXDGUXBPW-HNNXBMFYSA-N 2 0 268.445 2.704 20 0 CFADRP COC[C@H](Cc1ccccc1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420364043 394118469 /nfs/dbraw/zinc/11/84/69/394118469.db2.gz CLPKXWBXPKDBCK-SFHVURJKSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420919482 394126247 /nfs/dbraw/zinc/12/62/47/394126247.db2.gz ZJMCGNHBEKSDDU-HZPDHXFCSA-N 2 0 288.435 2.749 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000493083440 394142626 /nfs/dbraw/zinc/14/26/26/394142626.db2.gz WPURFAOCECPYHV-JKSUJKDBSA-N 2 0 291.439 2.575 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000359939687 394142965 /nfs/dbraw/zinc/14/29/65/394142965.db2.gz DLOZVHZNLOQXMQ-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP CCC[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976868 394146250 /nfs/dbraw/zinc/14/62/50/394146250.db2.gz HIXMWZMJVZSQQZ-MRXNPFEDSA-N 2 0 281.488 2.667 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC(OC(C)(C)C)C1 ZINC000421013384 394156215 /nfs/dbraw/zinc/15/62/15/394156215.db2.gz QWMYFLNHPVZRIZ-NFOMZHRRSA-N 2 0 268.445 2.749 20 0 CFADRP FC(F)(F)[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000422816708 394256236 /nfs/dbraw/zinc/25/62/36/394256236.db2.gz FVPCEWOQGGXEAU-PWSUYJOCSA-N 2 0 264.335 2.697 20 0 CFADRP CCN(C)c1ccc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000421378270 394209719 /nfs/dbraw/zinc/20/97/19/394209719.db2.gz UZMZEFFSVIIHIU-UHFFFAOYSA-N 2 0 290.455 2.500 20 0 CFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449079688 394214303 /nfs/dbraw/zinc/21/43/03/394214303.db2.gz ZVRWZGMLDXMFSI-RYRKJORJSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1SCCc2ccccc21 ZINC000422833407 394256779 /nfs/dbraw/zinc/25/67/79/394256779.db2.gz GTRKUMDQEHRCPZ-SLEUVZQESA-N 2 0 264.438 2.732 20 0 CFADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449079689 394214461 /nfs/dbraw/zinc/21/44/61/394214461.db2.gz ZVRWZGMLDXMFSI-SOLBZPMBSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC12CCCCC2 ZINC000449123738 394220368 /nfs/dbraw/zinc/22/03/68/394220368.db2.gz ONQWDFHUVNDUSU-IRXDYDNUSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)C[NH+](C)C ZINC000291695282 394257221 /nfs/dbraw/zinc/25/72/21/394257221.db2.gz JNGLZNWICZIAGF-LBPRGKRZSA-N 2 0 290.386 2.503 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)C1CCCC1 ZINC000449130751 394223042 /nfs/dbraw/zinc/22/30/42/394223042.db2.gz HQDUOVSMHCBTMI-AEFFLSMTSA-N 2 0 295.515 2.818 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000449135829 394225650 /nfs/dbraw/zinc/22/56/50/394225650.db2.gz RQDXVOWZNVZYAG-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000449149146 394229641 /nfs/dbraw/zinc/22/96/41/394229641.db2.gz MFOZCPKBQXLAMW-HUUCEWRRSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000422992609 394260034 /nfs/dbraw/zinc/26/00/34/394260034.db2.gz RPDBTTIDQMYDBQ-OWLYRPNTSA-N 2 0 288.435 2.712 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000422935715 394258800 /nfs/dbraw/zinc/25/88/00/394258800.db2.gz HOHIYHZMTSZFCG-BARDWOONSA-N 2 0 268.445 2.558 20 0 CFADRP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000421820364 394243594 /nfs/dbraw/zinc/24/35/94/394243594.db2.gz MBOXODUTQWPETG-SOUVJXGZSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(C)C ZINC000449181443 394244427 /nfs/dbraw/zinc/24/44/27/394244427.db2.gz HKWIJOYRBHJYRH-RBSFLKMASA-N 2 0 256.434 2.651 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000449191615 394247835 /nfs/dbraw/zinc/24/78/35/394247835.db2.gz PSHKBDBJNVTZQD-FVQBIDKESA-N 2 0 282.472 2.779 20 0 CFADRP CC(C)OCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366878986 394248895 /nfs/dbraw/zinc/24/88/95/394248895.db2.gz GKNPNUYOSPYLLO-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1(C(=O)OC)CCC1 ZINC000421888691 394248919 /nfs/dbraw/zinc/24/89/19/394248919.db2.gz WWHXAQXUOCIZNC-YMAMQOFZSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367139158 394252045 /nfs/dbraw/zinc/25/20/45/394252045.db2.gz JMDSCFDDSIKJQZ-INIZCTEOSA-N 2 0 282.472 2.999 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422758967 394254558 /nfs/dbraw/zinc/25/45/58/394254558.db2.gz OMGMRFPYAJMDCF-UKRRQHHQSA-N 2 0 279.428 2.705 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969624 394260339 /nfs/dbraw/zinc/26/03/39/394260339.db2.gz UXTRFVDJEXQVJH-NUWOQIAWSA-N 3 0 281.488 2.745 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151138846 394261048 /nfs/dbraw/zinc/26/10/48/394261048.db2.gz SMIDXJWHVYGCSY-JOCBIADPSA-N 2 0 293.499 2.569 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422998787 394261275 /nfs/dbraw/zinc/26/12/75/394261275.db2.gz DIPXBEWUHAXLAY-JKSUJKDBSA-N 2 0 274.408 2.928 20 0 CFADRP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)CC2 ZINC000423062396 394262395 /nfs/dbraw/zinc/26/23/95/394262395.db2.gz MVVSOHNEVGYZTH-SJKOYZFVSA-N 2 0 258.409 2.995 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423074346 394263998 /nfs/dbraw/zinc/26/39/98/394263998.db2.gz URMIUHRNQYJTMV-ULQDDVLXSA-N 2 0 260.425 2.971 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423074288 394264518 /nfs/dbraw/zinc/26/45/18/394264518.db2.gz UIJASYLKHUNVHJ-VNQPRFMTSA-N 2 0 274.408 2.926 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000423077859 394265544 /nfs/dbraw/zinc/26/55/44/394265544.db2.gz NAEKCBARTOKKEA-ZNMIVQPWSA-N 2 0 262.397 2.516 20 0 CFADRP CCN(CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+])CCC(F)(F)F ZINC000423080513 394266093 /nfs/dbraw/zinc/26/60/93/394266093.db2.gz SQLPOFJYYUBISM-STQMWFEESA-N 2 0 295.393 2.510 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000423084219 394267045 /nfs/dbraw/zinc/26/70/45/394267045.db2.gz HCINKABVGCTLSJ-BQFCYCMXSA-N 2 0 287.451 2.620 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423084602 394267678 /nfs/dbraw/zinc/26/76/78/394267678.db2.gz IMOOWFAPZIKOCY-SJLPKXTDSA-N 2 0 287.451 2.620 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCC[NH+](C)C ZINC000151968975 394267738 /nfs/dbraw/zinc/26/77/38/394267738.db2.gz INMYQOYSSDMDDD-NHYWBVRUSA-N 2 0 250.361 2.600 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449251731 394268168 /nfs/dbraw/zinc/26/81/68/394268168.db2.gz OURYNFSRAZRQHU-UHFFFAOYSA-N 2 0 256.349 2.784 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[C@H]1C ZINC000423095723 394270267 /nfs/dbraw/zinc/27/02/67/394270267.db2.gz FUAWBJVJSRHMQG-WTTBNOFXSA-N 2 0 260.425 2.971 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423115309 394270443 /nfs/dbraw/zinc/27/04/43/394270443.db2.gz XTGZOXMAKBIKMU-ZJUUUORDSA-N 2 0 250.308 2.579 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000423147551 394271920 /nfs/dbraw/zinc/27/19/20/394271920.db2.gz CVDKCRARIZDEAE-BZUAXINKSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CSc2ccccc21 ZINC000423147989 394271922 /nfs/dbraw/zinc/27/19/22/394271922.db2.gz UFXUOABMMRAMPJ-IPYPFGDCSA-N 2 0 276.449 2.854 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423167354 394272010 /nfs/dbraw/zinc/27/20/10/394272010.db2.gz SHXIKFUHDSLBKC-XUWVNRHRSA-N 2 0 260.381 2.678 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423256449 394275051 /nfs/dbraw/zinc/27/50/51/394275051.db2.gz FBKVBUCUMCIFHP-PBHICJAKSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCC[NH2+]C1 ZINC000423342588 394277589 /nfs/dbraw/zinc/27/75/89/394277589.db2.gz NHJUGCJCDYYURG-VQHPVUNQSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000423366880 394278855 /nfs/dbraw/zinc/27/88/55/394278855.db2.gz CJULXAIVTMSUKP-YDHLFZDLSA-N 2 0 265.376 2.777 20 0 CFADRP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423490318 394283938 /nfs/dbraw/zinc/28/39/38/394283938.db2.gz HTXHTFHHQIIRQG-MSOLQXFVSA-N 2 0 290.451 2.530 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1F ZINC000423509227 394285237 /nfs/dbraw/zinc/28/52/37/394285237.db2.gz OIRQOJMLQMIYSO-JMSVASOKSA-N 2 0 250.361 2.994 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000423509223 394285387 /nfs/dbraw/zinc/28/53/87/394285387.db2.gz OIHZDFWKBOBTPH-GJEMEMOUSA-N 2 0 280.456 2.974 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000423510119 394286355 /nfs/dbraw/zinc/28/63/55/394286355.db2.gz SDAKNNLLVPFBGE-HOTGVXAUSA-N 2 0 292.398 2.929 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423515114 394287197 /nfs/dbraw/zinc/28/71/97/394287197.db2.gz SPVIULDBPWQQMN-AIGAYMNCSA-N 2 0 288.435 2.904 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cnn1C(C)C ZINC000423520858 394288944 /nfs/dbraw/zinc/28/89/44/394288944.db2.gz WOJIHOAQDJFXSZ-UBHSHLNASA-N 2 0 264.417 2.550 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)nn1C ZINC000423519793 394289070 /nfs/dbraw/zinc/28/90/70/394289070.db2.gz QNTFMHZICIJCDE-GOEBONIOSA-N 2 0 286.423 2.859 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423527789 394291569 /nfs/dbraw/zinc/29/15/69/394291569.db2.gz MTOWAMBHSHFQOO-QMCVQRASSA-N 2 0 258.409 2.910 20 0 CFADRP COC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423535656 394292990 /nfs/dbraw/zinc/29/29/90/394292990.db2.gz DYJMVAJBCABXJI-INIZCTEOSA-N 2 0 294.826 2.927 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450468238 394293811 /nfs/dbraw/zinc/29/38/11/394293811.db2.gz NOFZUPNWXDFIOP-IXDOHACOSA-N 2 0 281.488 2.664 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(C)n1 ZINC000423540446 394294001 /nfs/dbraw/zinc/29/40/01/394294001.db2.gz DNSLNXUZBJMURC-BRWVUGGUSA-N 2 0 273.424 2.709 20 0 CFADRP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000423537366 394294081 /nfs/dbraw/zinc/29/40/81/394294081.db2.gz CPRBHVODNNSJQU-JZAWBGDQSA-N 2 0 262.441 2.933 20 0 CFADRP c1ccc(N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000423543166 394294650 /nfs/dbraw/zinc/29/46/50/394294650.db2.gz UMHLPZJZGGVVMS-UHFFFAOYSA-N 2 0 285.435 2.555 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)COC2 ZINC000423541369 394294686 /nfs/dbraw/zinc/29/46/86/394294686.db2.gz KRHKHQGDVXOUOL-IYPIGGPWSA-N 2 0 286.419 2.756 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423544317 394295024 /nfs/dbraw/zinc/29/50/24/394295024.db2.gz IOUKJZZCUMBIJZ-RYPNDVFKSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cn1 ZINC000423547812 394295567 /nfs/dbraw/zinc/29/55/67/394295567.db2.gz QGRRFORYQIVCCV-ZJQBRPOHSA-N 2 0 279.815 2.774 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1N(C)C ZINC000423544712 394295671 /nfs/dbraw/zinc/29/56/71/394295671.db2.gz OTFHDLVFCSIEGN-ZJIFWQFVSA-N 2 0 287.451 2.791 20 0 CFADRP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423549487 394295731 /nfs/dbraw/zinc/29/57/31/394295731.db2.gz SFDIDEBQXXFTIW-CXUGXGMPSA-N 2 0 274.383 2.791 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1F ZINC000423551883 394296538 /nfs/dbraw/zinc/29/65/38/394296538.db2.gz UPNMXWLLTNKCJF-PMOUVXMZSA-N 2 0 292.398 2.873 20 0 CFADRP CC(C)[C@@H](C)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423554412 394296580 /nfs/dbraw/zinc/29/65/80/394296580.db2.gz HFHLZVSWTRQLHT-MRXNPFEDSA-N 2 0 289.467 2.614 20 0 CFADRP Fc1cncc([C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)c1 ZINC000423556226 394297248 /nfs/dbraw/zinc/29/72/48/394297248.db2.gz YQGKQEQGIDYPGD-BQGCOEIASA-N 2 0 289.398 2.650 20 0 CFADRP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423556074 394297415 /nfs/dbraw/zinc/29/74/15/394297415.db2.gz MJOYFEVHXWMTBZ-QGZVFWFLSA-N 2 0 260.425 2.985 20 0 CFADRP C[N@@H+]1CC[C@@H](NCCC[NH2+]C2CC2)C[C@@H]1c1ccccc1 ZINC000423564723 394298140 /nfs/dbraw/zinc/29/81/40/394298140.db2.gz SBNFXSCQIGSTGG-QZTJIDSGSA-N 2 0 287.451 2.554 20 0 CFADRP CSCC1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000423563922 394298205 /nfs/dbraw/zinc/29/82/05/394298205.db2.gz RSUJNWOZGWTZIY-JXQTWKCFSA-N 2 0 256.459 2.640 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000154916074 394304755 /nfs/dbraw/zinc/30/47/55/394304755.db2.gz QPKPJFCWUQLKQL-SJLPKXTDSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@H]1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453361613 394390633 /nfs/dbraw/zinc/39/06/33/394390633.db2.gz KSCFVHXSJMSLNF-HZPDHXFCSA-N 2 0 295.515 2.769 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000494078956 394340673 /nfs/dbraw/zinc/34/06/73/394340673.db2.gz MNYFJFUBXYUIHW-UHFFFAOYSA-N 2 0 258.450 2.758 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCC1 ZINC000494471264 394355419 /nfs/dbraw/zinc/35/54/19/394355419.db2.gz WRIFLYWFBNKNJR-OWCLPIDISA-N 2 0 292.467 2.656 20 0 CFADRP Cc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000158614688 394358684 /nfs/dbraw/zinc/35/86/84/394358684.db2.gz FENMAOPPBGDBOP-ZIAGYGMSSA-N 2 0 279.453 2.676 20 0 CFADRP Cc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000158614812 394358870 /nfs/dbraw/zinc/35/88/70/394358870.db2.gz FENMAOPPBGDBOP-KGLIPLIRSA-N 2 0 279.453 2.676 20 0 CFADRP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165337254 394369395 /nfs/dbraw/zinc/36/93/95/394369395.db2.gz ICDWSGAXJRMFHB-SJLPKXTDSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1C ZINC000166317728 394369690 /nfs/dbraw/zinc/36/96/90/394369690.db2.gz PNFYBRWIBFMUAT-WBVHZDCISA-N 2 0 293.499 2.856 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000519682352 394374834 /nfs/dbraw/zinc/37/48/34/394374834.db2.gz QOLLPTCWVSLJGA-UHFFFAOYSA-N 2 0 282.391 2.766 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000519692916 394375296 /nfs/dbraw/zinc/37/52/96/394375296.db2.gz JRNIGSLRSAYGDO-INIZCTEOSA-N 2 0 269.392 2.713 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1nccn1CC ZINC000453251671 394382447 /nfs/dbraw/zinc/38/24/47/394382447.db2.gz LRINMDBKKYNTAO-UONOGXRCSA-N 2 0 266.433 2.674 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c(F)cn1 ZINC000453386352 394394504 /nfs/dbraw/zinc/39/45/04/394394504.db2.gz APRVXONZXDDJKO-GFCCVEGCSA-N 2 0 295.402 2.754 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2CC)[C@@H](C)C1 ZINC000453308276 394384091 /nfs/dbraw/zinc/38/40/91/394384091.db2.gz MXYRRZHCCVKCRH-YVSFHVDLSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000453316794 394384708 /nfs/dbraw/zinc/38/47/08/394384708.db2.gz IVHBLZNOJZQECT-HHARLNAUSA-N 2 0 282.472 2.756 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527646697 394395488 /nfs/dbraw/zinc/39/54/88/394395488.db2.gz WVRPCUGVTMTOPK-SDADXPQNSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000089215368 135058470 /nfs/dbraw/zinc/05/84/70/135058470.db2.gz RZICMZVOAZXEBF-CYBMUJFWSA-N 2 0 259.397 2.686 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453408447 394398707 /nfs/dbraw/zinc/39/87/07/394398707.db2.gz GPXLQOFSUPTVRF-AAEUAGOBSA-N 2 0 260.372 2.742 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cs1 ZINC000453407616 394398777 /nfs/dbraw/zinc/39/87/77/394398777.db2.gz SDQQGXIUPVWAPA-NSHDSACASA-N 2 0 267.442 2.977 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(O)c1 ZINC000453409509 394399412 /nfs/dbraw/zinc/39/94/12/394399412.db2.gz ULJPFVRZLQAONC-CYBMUJFWSA-N 2 0 262.397 2.917 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453410746 394399819 /nfs/dbraw/zinc/39/98/19/394399819.db2.gz VBTJBAAXWKADOF-CVEARBPZSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000453416093 394400828 /nfs/dbraw/zinc/40/08/28/394400828.db2.gz JUZHDDMXUKZSJS-MDZLAQPJSA-N 2 0 260.372 2.740 20 0 CFADRP Cc1ccc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)nc1 ZINC000453424866 394402435 /nfs/dbraw/zinc/40/24/35/394402435.db2.gz MZXICLONYWVKOL-UHFFFAOYSA-N 2 0 275.440 2.785 20 0 CFADRP C[C@H](CF)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000685473389 542921416 /nfs/dbraw/zinc/92/14/16/542921416.db2.gz STVHZALYKOSBQW-GZBFAFLISA-N 2 0 256.409 2.977 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529596384 394413487 /nfs/dbraw/zinc/41/34/87/394413487.db2.gz BTGBVRQWJHETBC-VXGBXAGGSA-N 2 0 260.372 2.742 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)OCC ZINC000527931814 394427856 /nfs/dbraw/zinc/42/78/56/394427856.db2.gz NNDHOGAGQWOWLA-BYNSBNAKSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccnc1 ZINC000528015498 394439281 /nfs/dbraw/zinc/43/92/81/394439281.db2.gz XZWJOALBBLCAAJ-CZUORRHYSA-N 2 0 259.397 2.749 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000530179191 394473465 /nfs/dbraw/zinc/47/34/65/394473465.db2.gz QLHJQRQELFYOJW-BPQIPLTHSA-N 2 0 299.462 2.524 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000530410917 394514440 /nfs/dbraw/zinc/51/44/40/394514440.db2.gz BWULYLCNFOVMTB-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1CC1CC[NH2+]CC1 ZINC000530205212 394478907 /nfs/dbraw/zinc/47/89/07/394478907.db2.gz DWQWNXHSDFTNGJ-PBWFPOADSA-N 2 0 270.367 2.638 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207866 394479856 /nfs/dbraw/zinc/47/98/56/394479856.db2.gz DXOOPSUXXWXLIN-JCURWCKSSA-N 2 0 280.456 2.545 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000530410915 394514612 /nfs/dbraw/zinc/51/46/12/394514612.db2.gz BWULYLCNFOVMTB-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCCOC1 ZINC000530212390 394481794 /nfs/dbraw/zinc/48/17/94/394481794.db2.gz QMBYSIUGFGNDLK-BZUAXINKSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)C1 ZINC000530212979 394482802 /nfs/dbraw/zinc/48/28/02/394482802.db2.gz SMCSLEFTCRBZMA-XVLPMQGWSA-N 2 0 276.811 2.838 20 0 CFADRP CC(C)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000530214096 394482835 /nfs/dbraw/zinc/48/28/35/394482835.db2.gz XTMUADKRYIXHQU-FHLIZLRMSA-N 2 0 290.451 2.727 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)c1 ZINC000530218345 394486025 /nfs/dbraw/zinc/48/60/25/394486025.db2.gz VYEPMIXUKNVWNF-DJIMGWMZSA-N 2 0 285.435 2.982 20 0 CFADRP Clc1cccnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000530220754 394486966 /nfs/dbraw/zinc/48/69/66/394486966.db2.gz CMZZPZVCZIOJJN-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530220902 394487704 /nfs/dbraw/zinc/48/77/04/394487704.db2.gz KBTZTFJRAZSUOF-CHWSQXEVSA-N 2 0 279.815 2.557 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CC2)cc1 ZINC000530226332 394490861 /nfs/dbraw/zinc/49/08/61/394490861.db2.gz ZUJVKPNPBJXSKF-IRXDYDNUSA-N 2 0 270.420 2.882 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c(OC)c1 ZINC000530244710 394495056 /nfs/dbraw/zinc/49/50/56/394495056.db2.gz MXWQPCNTYAFBEH-MELADBBJSA-N 2 0 292.423 2.743 20 0 CFADRP COc1ccc(-c2ccc(C)c(C[NH3+])c2)c(C[NH3+])c1 ZINC000530248699 394496893 /nfs/dbraw/zinc/49/68/93/394496893.db2.gz RPUWHAPJHFDNGM-UHFFFAOYSA-N 2 0 256.349 2.588 20 0 CFADRP C([C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1)[NH+]1CCCC1 ZINC000530463668 394519801 /nfs/dbraw/zinc/51/98/01/394519801.db2.gz ZPVPSVDKWNXFIH-SJORKVTESA-N 2 0 292.467 2.896 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3[nH]cnc3c2)CC1 ZINC000530548184 394527046 /nfs/dbraw/zinc/52/70/46/394527046.db2.gz JPAJROXSZSNSIF-UHFFFAOYSA-N 2 0 284.407 2.623 20 0 CFADRP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(C)s1 ZINC000538731951 394614143 /nfs/dbraw/zinc/61/41/43/394614143.db2.gz BBFGNNNRJDTOEH-UHFFFAOYSA-N 2 0 296.480 2.908 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)Oc1cccc(C)c1 ZINC000540221872 394645063 /nfs/dbraw/zinc/64/50/63/394645063.db2.gz XNACOOAGZVLZKO-INMHGKMJSA-N 2 0 276.424 2.692 20 0 CFADRP FC(F)(F)CSCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000540397355 394646757 /nfs/dbraw/zinc/64/67/57/394646757.db2.gz IQKGZGYADKHPGA-UHFFFAOYSA-N 2 0 296.402 2.746 20 0 CFADRP C[C@H]1CC[N@H+](CCNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000543768766 394743913 /nfs/dbraw/zinc/74/39/13/394743913.db2.gz URSHTXDNTKYYOT-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000541738702 394683006 /nfs/dbraw/zinc/68/30/06/394683006.db2.gz NHMJEKGKBAHIIE-JKSUJKDBSA-N 2 0 270.461 2.759 20 0 CFADRP CCc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000541908883 394691181 /nfs/dbraw/zinc/69/11/81/394691181.db2.gz JLTUQOIUZSDXLO-LBPRGKRZSA-N 2 0 252.427 2.694 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCCCS1 ZINC000544370310 394757971 /nfs/dbraw/zinc/75/79/71/394757971.db2.gz GZGATEBJYFHIRK-OAHLLOKOSA-N 2 0 268.470 2.736 20 0 CFADRP CC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C1CCOCC1 ZINC000544897965 394774359 /nfs/dbraw/zinc/77/43/59/394774359.db2.gz OCZLXQIMMHKBPJ-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000546691667 394838903 /nfs/dbraw/zinc/83/89/03/394838903.db2.gz VMBOCGFVGLRJSO-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP c1ccc(C2(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166085510 542945881 /nfs/dbraw/zinc/94/58/81/542945881.db2.gz LQCMAJZFQYVAET-DLBZAZTESA-N 2 0 270.420 2.935 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC(C)C ZINC000166110296 542954063 /nfs/dbraw/zinc/95/40/63/542954063.db2.gz KWLSFCNYEPHRTR-KSZLIROESA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C1CC[NH+](C)CC1 ZINC000060717781 542965910 /nfs/dbraw/zinc/96/59/10/542965910.db2.gz NSPUOGRGAIWOBM-LBPRGKRZSA-N 2 0 282.378 2.827 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000555759728 394982607 /nfs/dbraw/zinc/98/26/07/394982607.db2.gz QZZUAJOSUXUMIS-CABCVRRESA-N 2 0 296.480 2.770 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CN1C1CC1 ZINC000556726652 395010962 /nfs/dbraw/zinc/01/09/62/395010962.db2.gz BORLYRQKNIVBJN-GUYCJALGSA-N 2 0 270.420 2.616 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C2CC2)C2CC2)[C@H]2CCC[C@@H]21 ZINC000556867846 395022229 /nfs/dbraw/zinc/02/22/29/395022229.db2.gz JLMAOFHNLYNSHK-PVAVHDDUSA-N 2 0 262.441 2.885 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000556871105 395022440 /nfs/dbraw/zinc/02/24/40/395022440.db2.gz SHIZYJPTJKVMSD-ROUUACIJSA-N 2 0 293.499 2.569 20 0 CFADRP CC[N@@H+]1CC[C@H]2OCCN(C[C@@H]3C(C)=CCC[C@@H]3C)[C@H]2C1 ZINC000556928997 395025484 /nfs/dbraw/zinc/02/54/84/395025484.db2.gz QEKSFTASNBTKPK-XWTMOSNGSA-N 2 0 292.467 2.774 20 0 CFADRP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554881666 394961596 /nfs/dbraw/zinc/96/15/96/394961596.db2.gz BTYBOPYOEKUYIQ-QZTJIDSGSA-N 2 0 290.451 2.564 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000558152812 395053010 /nfs/dbraw/zinc/05/30/10/395053010.db2.gz XTZVIOYQHZYOSQ-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000570621568 395085160 /nfs/dbraw/zinc/08/51/60/395085160.db2.gz BZOPSSCAWMRNPU-MGPQQGTHSA-N 2 0 270.486 2.838 20 0 CFADRP c1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCS2)cc1 ZINC000648406503 395128631 /nfs/dbraw/zinc/12/86/31/395128631.db2.gz LMMDPFSYDPQXKO-MRXNPFEDSA-N 2 0 276.449 2.776 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648439121 395142963 /nfs/dbraw/zinc/14/29/63/395142963.db2.gz IVKUEUGHBSAODT-RHSMWYFYSA-N 2 0 260.425 2.864 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000180131469 543010191 /nfs/dbraw/zinc/01/01/91/543010191.db2.gz PZWFMJIRDLADTM-UONOGXRCSA-N 2 0 278.444 2.881 20 0 CFADRP [NH3+][C@@H](CCc1nc([C@H]2CCC[NH2+]2)no1)CC1CCCCC1 ZINC000647144353 395173784 /nfs/dbraw/zinc/17/37/84/395173784.db2.gz VBTFQTQATVTCAW-UONOGXRCSA-N 2 0 292.427 2.724 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000647216575 395233610 /nfs/dbraw/zinc/23/36/10/395233610.db2.gz RQIMAVBOJLXIBN-UHFFFAOYSA-N 2 0 278.444 2.503 20 0 CFADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000647248075 395254554 /nfs/dbraw/zinc/25/45/54/395254554.db2.gz YYTQLNCNTFDAGL-BYNSBNAKSA-N 2 0 266.429 2.549 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000647168754 395195135 /nfs/dbraw/zinc/19/51/35/395195135.db2.gz KHLNHMSBSWJISG-WMLDXEAASA-N 2 0 274.408 2.549 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CO[C@@H](C)C2)c1 ZINC000647172184 395197710 /nfs/dbraw/zinc/19/77/10/395197710.db2.gz LTNJOHQWZLTPQR-WMLDXEAASA-N 2 0 276.424 2.795 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647174665 395200630 /nfs/dbraw/zinc/20/06/30/395200630.db2.gz INEDBSMTXYYIRG-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647177001 395202067 /nfs/dbraw/zinc/20/20/67/395202067.db2.gz HKEGTJNQPWJHDK-GFCCVEGCSA-N 2 0 260.372 2.886 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647178305 395202612 /nfs/dbraw/zinc/20/26/12/395202612.db2.gz LMGIYDORDAAVBQ-UHFFFAOYSA-N 2 0 290.398 2.655 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648590343 395209578 /nfs/dbraw/zinc/20/95/78/395209578.db2.gz TVNOWOCUJIDFOF-RBSFLKMASA-N 2 0 256.434 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@H]2CCC[C@H]21 ZINC000647312816 395285791 /nfs/dbraw/zinc/28/57/91/395285791.db2.gz OYYYEDFHRBDHHE-VYDRJRHOSA-N 2 0 254.393 2.730 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000648744775 395295442 /nfs/dbraw/zinc/29/54/42/395295442.db2.gz PMSUOVZHLCJTEF-IRXDYDNUSA-N 2 0 284.488 2.740 20 0 CFADRP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000647337460 395300272 /nfs/dbraw/zinc/30/02/72/395300272.db2.gz PJYDNYZZPGXLAB-ZFWWWQNUSA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000647341757 395303783 /nfs/dbraw/zinc/30/37/83/395303783.db2.gz AYSQGVSTBNKOQA-YUELXQCFSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@H]1C ZINC000647344076 395306185 /nfs/dbraw/zinc/30/61/85/395306185.db2.gz IOHOAOROYYRGNG-QKGUJMCYSA-N 2 0 272.436 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000647343540 395306604 /nfs/dbraw/zinc/30/66/04/395306604.db2.gz VOFBLAJZONOHBV-XFIYOXNOSA-N 2 0 280.456 2.795 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCC(F)CC2)[C@@H](C)C1 ZINC000647349151 395309069 /nfs/dbraw/zinc/30/90/69/395309069.db2.gz AXJYGQWJSREMPG-VXGQWTEUSA-N 2 0 256.409 2.835 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479283 395353579 /nfs/dbraw/zinc/35/35/79/395353579.db2.gz AMHMXCPFIVGTDJ-QZTJIDSGSA-N 2 0 287.451 2.787 20 0 CFADRP COc1nc2ccccc2cc1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000647496690 395358511 /nfs/dbraw/zinc/35/85/11/395358511.db2.gz BANAIDFGVPYCTP-GUYCJALGSA-N 2 0 299.418 2.803 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000647496531 395358748 /nfs/dbraw/zinc/35/87/48/395358748.db2.gz RNYYCTPSEJCNCV-NEPJUHHUSA-N 2 0 279.453 2.581 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000647498887 395363807 /nfs/dbraw/zinc/36/38/07/395363807.db2.gz SOJSHFCAHPCYNR-TZMCWYRMSA-N 2 0 284.350 2.847 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647498922 395364579 /nfs/dbraw/zinc/36/45/79/395364579.db2.gz UDHIOMNLRIUJTO-WMLDXEAASA-N 2 0 298.434 2.646 20 0 CFADRP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC1CC[NH2+]CC1 ZINC000647518616 395372020 /nfs/dbraw/zinc/37/20/20/395372020.db2.gz SMAWVQXBYGFISL-JQWIXIFHSA-N 2 0 264.335 2.649 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647541542 395383078 /nfs/dbraw/zinc/38/30/78/395383078.db2.gz ZPWZVXWIBKRGSZ-QAPCUYQASA-N 2 0 286.419 2.628 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543056 395384370 /nfs/dbraw/zinc/38/43/70/395384370.db2.gz GZMDUYSNXYTXRI-JKSUJKDBSA-N 2 0 273.424 2.602 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647543510 395384616 /nfs/dbraw/zinc/38/46/16/395384616.db2.gz OMJMUIZDVPTDRM-IAGOWNOFSA-N 2 0 288.435 2.907 20 0 CFADRP CCc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543303 395384768 /nfs/dbraw/zinc/38/47/68/395384768.db2.gz KWBSILAUBGHAIY-UONOGXRCSA-N 2 0 293.480 2.917 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543820 395386194 /nfs/dbraw/zinc/38/61/94/395386194.db2.gz SJZWBALNNATIGW-ZIAGYGMSSA-N 2 0 293.480 2.917 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1c(C)noc1C ZINC000647548456 395386787 /nfs/dbraw/zinc/38/67/87/395386787.db2.gz BHKVYELMGHNFRA-XQLPTFJDSA-N 2 0 277.412 2.720 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1c(C)noc1C ZINC000647548454 395387115 /nfs/dbraw/zinc/38/71/15/395387115.db2.gz BHKVYELMGHNFRA-BARDWOONSA-N 2 0 277.412 2.720 20 0 CFADRP CC[NH2+]Cc1cccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647546471 395387291 /nfs/dbraw/zinc/38/72/91/395387291.db2.gz LXXINDHIKXBHJV-HLLBOEOZSA-N 2 0 273.424 2.596 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549016 395388291 /nfs/dbraw/zinc/38/82/91/395388291.db2.gz FJRCBFSQYUUYJH-YESZJQIVSA-N 2 0 288.435 2.606 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647549731 395388521 /nfs/dbraw/zinc/38/85/21/395388521.db2.gz OHGRSTMXPMDMDP-YESZJQIVSA-N 2 0 288.435 2.952 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549289 395388549 /nfs/dbraw/zinc/38/85/49/395388549.db2.gz QTONFBRFBUDQFT-GVDBMIGSSA-N 2 0 288.435 2.742 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647551419 395390286 /nfs/dbraw/zinc/39/02/86/395390286.db2.gz NHMTYRFHMCXPLZ-RRFJBIMHSA-N 2 0 276.449 2.886 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647551420 395390578 /nfs/dbraw/zinc/39/05/78/395390578.db2.gz NHMTYRFHMCXPLZ-SOUVJXGZSA-N 2 0 276.449 2.886 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000647552591 395390991 /nfs/dbraw/zinc/39/09/91/395390991.db2.gz JNZOVUFLVDZPQD-UWVGGRQHSA-N 2 0 253.415 2.626 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000647553338 395392077 /nfs/dbraw/zinc/39/20/77/395392077.db2.gz UJRZSLQLWAMYBZ-RBUKOAKNSA-N 2 0 295.430 2.728 20 0 CFADRP Cc1ccc(CCC[NH2+]Cc2ccc(C[NH3+])cc2)cn1 ZINC000647553347 395392325 /nfs/dbraw/zinc/39/23/25/395392325.db2.gz VDBITQCHHWICRQ-UHFFFAOYSA-N 2 0 269.392 2.571 20 0 CFADRP C[N@H+](CCCC1CC[NH2+]CC1)CCOc1ccccc1 ZINC000647870855 395448256 /nfs/dbraw/zinc/44/82/56/395448256.db2.gz GTCLXZNSDUCBND-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP Oc1ccc2c(c1)C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647880380 395450083 /nfs/dbraw/zinc/45/00/83/395450083.db2.gz QJCBYMHPXYKFMA-UHFFFAOYSA-N 2 0 274.408 2.530 20 0 CFADRP Oc1ccc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000647882188 395451377 /nfs/dbraw/zinc/45/13/77/395451377.db2.gz UEKCSMJRLXDECI-KRWDZBQOSA-N 2 0 274.408 2.919 20 0 CFADRP Cc1ccc(C[N@@H+](C[C@@H]2CC[NH2+]C2)C(C)C)s1 ZINC000647882190 395451628 /nfs/dbraw/zinc/45/16/28/395451628.db2.gz UHRKZGBLYYSLFL-CYBMUJFWSA-N 2 0 252.427 2.876 20 0 CFADRP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CC[NH2+]C1)CCC2 ZINC000647989643 395473589 /nfs/dbraw/zinc/47/35/89/395473589.db2.gz RDJCJARDCTZWGA-WCQYABFASA-N 2 0 279.453 2.624 20 0 CFADRP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647884159 395452257 /nfs/dbraw/zinc/45/22/57/395452257.db2.gz USOBQQRZDNZGFD-IRXDYDNUSA-N 2 0 258.409 2.611 20 0 CFADRP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647886800 395453147 /nfs/dbraw/zinc/45/31/47/395453147.db2.gz WXLWOYLWOSBCAK-NFAWXSAZSA-N 2 0 262.372 2.613 20 0 CFADRP Fc1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647890024 395454056 /nfs/dbraw/zinc/45/40/56/395454056.db2.gz HWYIHEGJOHXVGX-CZUORRHYSA-N 2 0 262.372 2.962 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(CC)CC ZINC000647891554 395454835 /nfs/dbraw/zinc/45/48/35/395454835.db2.gz PSDVLESCPBTHQD-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCC2CC[NH2+]CC2)C1 ZINC000647892257 395454864 /nfs/dbraw/zinc/45/48/64/395454864.db2.gz JKYSJNMRQXYQBO-QAPCUYQASA-N 2 0 296.499 2.933 20 0 CFADRP Cc1ccc(OCCC[NH+]2CCC(C)([NH3+])CC2)cc1C ZINC000647925689 395459319 /nfs/dbraw/zinc/45/93/19/395459319.db2.gz SMFJILUKQTUJHA-UHFFFAOYSA-N 2 0 276.424 2.886 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2c(C)cccc2C)CC[C@H]1[NH3+] ZINC000647934468 395460452 /nfs/dbraw/zinc/46/04/52/395460452.db2.gz GOLBFBYYRPWXRH-HZPDHXFCSA-N 2 0 276.424 2.741 20 0 CFADRP c1ccc(C[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000647992076 395474202 /nfs/dbraw/zinc/47/42/02/395474202.db2.gz BEDURASABOXDIO-SQNIBIBYSA-N 2 0 272.436 2.987 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000647936831 395461671 /nfs/dbraw/zinc/46/16/71/395461671.db2.gz LZHWGVNHXIOPQS-XFBWCDHKSA-N 2 0 262.372 2.872 20 0 CFADRP C(CC1CC[NH2+]CC1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000647995164 395475056 /nfs/dbraw/zinc/47/50/56/395475056.db2.gz BQAFTEUBJDAYEN-UHFFFAOYSA-N 2 0 294.483 2.905 20 0 CFADRP C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)OC1CCCCCC1 ZINC000647956246 395464541 /nfs/dbraw/zinc/46/45/41/395464541.db2.gz GHPPEDQYPJEFBA-QGZVFWFLSA-N 2 0 280.456 2.801 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000647990403 395474406 /nfs/dbraw/zinc/47/44/06/395474406.db2.gz XUAOLWPSAWLTTI-GOSISDBHSA-N 3 0 295.515 2.676 20 0 CFADRP Cc1ccccc1[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000647959926 395466742 /nfs/dbraw/zinc/46/67/42/395466742.db2.gz VFNRMMRXECNPDV-AEFFLSMTSA-N 2 0 290.451 2.833 20 0 CFADRP Cc1ccc(C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC2CC2)cn1 ZINC000647995336 395474743 /nfs/dbraw/zinc/47/47/43/395474743.db2.gz PIOMOFJCRGLUAV-INIZCTEOSA-N 2 0 287.451 2.992 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c[nH]c2c1 ZINC000647787965 395429059 /nfs/dbraw/zinc/42/90/59/395429059.db2.gz BHKKZWPLGHGUBB-BHYGNILZSA-N 2 0 297.446 2.997 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000647789980 395429595 /nfs/dbraw/zinc/42/95/95/395429595.db2.gz OUHDNSFFANZVHE-BZUAXINKSA-N 2 0 280.456 2.561 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647791621 395429926 /nfs/dbraw/zinc/42/99/26/395429926.db2.gz JDBPGDVHCVTMSZ-GVDBMIGSSA-N 2 0 288.435 2.660 20 0 CFADRP Fc1ccccc1C1([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792295 395430193 /nfs/dbraw/zinc/43/01/93/395430193.db2.gz YPSSIPVKUMQWJC-MGPQQGTHSA-N 2 0 274.383 2.793 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647793735 395430206 /nfs/dbraw/zinc/43/02/06/395430206.db2.gz GSIZMIBBDHXFBX-ARLBYUKCSA-N 2 0 273.424 2.683 20 0 CFADRP Fc1ccccc1C1([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792292 395430303 /nfs/dbraw/zinc/43/03/03/395430303.db2.gz YPSSIPVKUMQWJC-BFHYXJOUSA-N 2 0 274.383 2.793 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647793737 395430433 /nfs/dbraw/zinc/43/04/33/395430433.db2.gz GSIZMIBBDHXFBX-LCGIIJARSA-N 2 0 273.424 2.683 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793738 395430517 /nfs/dbraw/zinc/43/05/17/395430517.db2.gz GSIZMIBBDHXFBX-QCEMKRCNSA-N 2 0 273.424 2.683 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000647794066 395431223 /nfs/dbraw/zinc/43/12/23/395431223.db2.gz PZUTUMQNTJVOMG-AVEIZBFRSA-N 2 0 294.483 2.948 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647795737 395431979 /nfs/dbraw/zinc/43/19/79/395431979.db2.gz VEDBDFHNRKIECA-RRFJBIMHSA-N 2 0 291.464 2.671 20 0 CFADRP c1ccc(CC2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647795068 395432138 /nfs/dbraw/zinc/43/21/38/395432138.db2.gz IVOXWKYPAYXQRA-YESZJQIVSA-N 2 0 270.420 2.739 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2[nH]1 ZINC000647796982 395432471 /nfs/dbraw/zinc/43/24/71/395432471.db2.gz TWKPFPOONXEXMZ-USXIJHARSA-N 2 0 283.419 2.954 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647797932 395432830 /nfs/dbraw/zinc/43/28/30/395432830.db2.gz HMCBKHHTHQYFKT-QJPTWQEYSA-N 2 0 299.340 2.578 20 0 CFADRP FC1(F)CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647797008 395432932 /nfs/dbraw/zinc/43/29/32/395432932.db2.gz UOXYTGIDWRYGHZ-HZSPNIEDSA-N 2 0 272.383 2.790 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800599 395433552 /nfs/dbraw/zinc/43/35/52/395433552.db2.gz HBLXRRCGCBOBLA-XQQFMLRXSA-N 2 0 280.437 2.645 20 0 CFADRP CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC000647799906 395434021 /nfs/dbraw/zinc/43/40/21/395434021.db2.gz TUEGUGLWQBDMBT-HPFXQQBRSA-N 2 0 299.462 2.935 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978841 395472344 /nfs/dbraw/zinc/47/23/44/395472344.db2.gz ZEIMXOHWWQGVEW-GJZGRUSLSA-N 2 0 291.439 2.757 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800889 395434469 /nfs/dbraw/zinc/43/44/69/395434469.db2.gz LJFVPQHJCPBISF-MJBXVCDLSA-N 2 0 292.448 2.647 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647800660 395434511 /nfs/dbraw/zinc/43/45/11/395434511.db2.gz IOYSXLDUDOHHMA-QBPKDAKJSA-N 2 0 258.409 2.897 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC(F)F ZINC000647801442 395434660 /nfs/dbraw/zinc/43/46/60/395434660.db2.gz VRRKCXQVRIYFEX-ZDEQEGDKSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815339 395439351 /nfs/dbraw/zinc/43/93/51/395439351.db2.gz ZZIGNSXGHALGKG-YOEHRIQHSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1cccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814524 395439492 /nfs/dbraw/zinc/43/94/92/395439492.db2.gz RUHGFDQRVIUUFD-UHFFFAOYSA-N 2 0 274.408 2.590 20 0 CFADRP CC1CC[NH+](CCCNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000647850709 395445171 /nfs/dbraw/zinc/44/51/71/395445171.db2.gz YODWYQVMQCKBIV-UHFFFAOYSA-N 2 0 272.396 2.519 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000649502419 395511664 /nfs/dbraw/zinc/51/16/64/395511664.db2.gz FELPTMMJPDFCJH-ZWKOTPCHSA-N 2 0 293.499 2.525 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2CC(C)C)[C@@H](C)C1 ZINC000648010118 395479316 /nfs/dbraw/zinc/47/93/16/395479316.db2.gz LIOXRXWDDWTQTE-RDJZCZTQSA-N 2 0 292.471 2.701 20 0 CFADRP CC[NH+](CC)CCN(Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000649411054 395488800 /nfs/dbraw/zinc/48/88/00/395488800.db2.gz JVGHOJQPFKXDAM-OAHLLOKOSA-N 2 0 295.496 2.501 20 0 CFADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000649414165 395489758 /nfs/dbraw/zinc/48/97/58/395489758.db2.gz KGJIYJIWDKDUEK-DOTOQJQBSA-N 2 0 287.451 2.717 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072354 395497456 /nfs/dbraw/zinc/49/74/56/395497456.db2.gz ZKXVEHUVGFPJMS-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000648072009 395497576 /nfs/dbraw/zinc/49/75/76/395497576.db2.gz GRJMVXUKHQOTLZ-WBVHZDCISA-N 2 0 292.467 2.775 20 0 CFADRP C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)C1CC[NH+](C)CC1 ZINC000037219880 543027336 /nfs/dbraw/zinc/02/73/36/543027336.db2.gz APPNLOUUMBTUJK-YJBOKZPZSA-N 2 0 289.467 2.609 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)N(C)C ZINC000037221716 543027659 /nfs/dbraw/zinc/02/76/59/543027659.db2.gz PBYVRPUUEVTIJV-PBHICJAKSA-N 2 0 283.504 2.673 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185888063 543049939 /nfs/dbraw/zinc/04/99/39/543049939.db2.gz RRPUJOIWLPLSMI-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)s1 ZINC000310794261 413084273 /nfs/dbraw/zinc/08/42/73/413084273.db2.gz VQKFGFHYHKCTRG-GJZGRUSLSA-N 2 0 264.438 2.926 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000392190454 543106745 /nfs/dbraw/zinc/10/67/45/543106745.db2.gz LNWCEZLCUGVUQP-UHFFFAOYSA-N 2 0 256.393 2.916 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000312680221 413093144 /nfs/dbraw/zinc/09/31/44/413093144.db2.gz CYEOSMNKSBKAJO-CVEARBPZSA-N 2 0 284.488 2.836 20 0 CFADRP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000340534310 292077365 /nfs/dbraw/zinc/07/73/65/292077365.db2.gz KDTAGNXPBURZEO-HUUCEWRRSA-N 2 0 270.461 2.758 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc3ccccc3c1)C2 ZINC000314374242 413096561 /nfs/dbraw/zinc/09/65/61/413096561.db2.gz QBXROUOQDSMZJB-WMZOPIPTSA-N 2 0 281.403 2.796 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000401038232 413160215 /nfs/dbraw/zinc/16/02/15/413160215.db2.gz SGZBTIJNIQGFEB-DGADGQDISA-N 2 0 250.430 2.790 20 0 CFADRP Clc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400999533 413159204 /nfs/dbraw/zinc/15/92/04/413159204.db2.gz LXFDFHNOJVRWIH-GZBFAFLISA-N 2 0 264.800 2.818 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401006403 413159393 /nfs/dbraw/zinc/15/93/93/413159393.db2.gz JTPOHLXFFPPRLH-BZUAXINKSA-N 2 0 274.408 2.563 20 0 CFADRP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000401052347 413159813 /nfs/dbraw/zinc/15/98/13/413159813.db2.gz YXXOIJOMKQBWFH-QLFBSQMISA-N 2 0 250.430 2.935 20 0 CFADRP Clc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401019599 413161554 /nfs/dbraw/zinc/16/15/54/413161554.db2.gz WPBJQDBLJYKAIQ-KWCYVHTRSA-N 2 0 264.800 2.818 20 0 CFADRP COC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCCCC1 ZINC000335752814 292112834 /nfs/dbraw/zinc/11/28/34/292112834.db2.gz QWHZNXGFQXCUKM-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCCCC1 ZINC000483297129 292112675 /nfs/dbraw/zinc/11/26/75/292112675.db2.gz SADZTAYXQJVREN-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000361555043 292112702 /nfs/dbraw/zinc/11/27/02/292112702.db2.gz WUHNKPOOTXZEIJ-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917793 397551106 /nfs/dbraw/zinc/55/11/06/397551106.db2.gz KMEWAVXIBYTWNZ-PBHICJAKSA-N 2 0 292.398 2.669 20 0 CFADRP CO[C@@](C)(C[NH2+]C1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000389063796 397538076 /nfs/dbraw/zinc/53/80/76/397538076.db2.gz JJBIOMZSDLNOHX-INIZCTEOSA-N 2 0 268.445 2.512 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)[C@H](C)C1 ZINC000177343060 397608406 /nfs/dbraw/zinc/60/84/06/397608406.db2.gz PMZLCCFHUWSMSJ-IJEWVQPXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650755875 397884777 /nfs/dbraw/zinc/88/47/77/397884777.db2.gz OUEYHKHXWMZLPK-BMFZPTHFSA-N 2 0 262.372 2.953 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650759212 397885346 /nfs/dbraw/zinc/88/53/46/397885346.db2.gz GIGUFZIHEZILGG-ZBFHGGJFSA-N 2 0 275.440 2.911 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C1(C)C ZINC000650757994 397885501 /nfs/dbraw/zinc/88/55/01/397885501.db2.gz GKBBHKKCOYPWJI-JKSUJKDBSA-N 2 0 276.424 2.699 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702674 397859128 /nfs/dbraw/zinc/85/91/28/397859128.db2.gz PEJJDOBRIOVYTB-AWEZNQCLSA-N 2 0 258.409 2.607 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650703240 397859576 /nfs/dbraw/zinc/85/95/76/397859576.db2.gz QSKMTVMRTVJWCI-UKRRQHHQSA-N 2 0 258.409 2.735 20 0 CFADRP CC1(C[NH2+]Cc2cccc3c2CCC3)CC[NH2+]CC1 ZINC000650703831 397859686 /nfs/dbraw/zinc/85/96/86/397859686.db2.gz UFHCVKWJCUVGNL-UHFFFAOYSA-N 2 0 258.409 2.655 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000650705596 397860655 /nfs/dbraw/zinc/86/06/55/397860655.db2.gz NAQGGYQAXDTAQM-UAGQMJEPSA-N 2 0 292.398 2.544 20 0 CFADRP c1cc2c(c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c1)CCC2 ZINC000650704428 397860861 /nfs/dbraw/zinc/86/08/61/397860861.db2.gz YQFWHJJXUGTIGQ-INIZCTEOSA-N 2 0 270.420 2.940 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC[NH2+]C1 ZINC000650708818 397861626 /nfs/dbraw/zinc/86/16/26/397861626.db2.gz OJONOOBYVNHQOW-DLBZAZTESA-N 2 0 276.399 2.789 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000650762815 397887828 /nfs/dbraw/zinc/88/78/28/397887828.db2.gz LALURKMTORHEAU-AWEZNQCLSA-N 2 0 275.440 2.793 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C/C=C\c1ccc(F)cc1)C2 ZINC000650709407 397861855 /nfs/dbraw/zinc/86/18/55/397861855.db2.gz YSAMDQBKDZAVRR-YPTRFEFASA-N 2 0 274.383 2.900 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763098 397887855 /nfs/dbraw/zinc/88/78/55/397887855.db2.gz QYRPLAJPEWSWGE-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)C1(CC)CC ZINC000650763397 397887857 /nfs/dbraw/zinc/88/78/57/397887857.db2.gz ZBUZZXMZQRKSQQ-HZPDHXFCSA-N 2 0 282.472 2.950 20 0 CFADRP C(CC1CC[NH2+]CC1)[NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000650763255 397887882 /nfs/dbraw/zinc/88/78/82/397887882.db2.gz VWXNKQKOZMFARA-ULQDDVLXSA-N 2 0 280.456 2.561 20 0 CFADRP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000650763260 397887916 /nfs/dbraw/zinc/88/79/16/397887916.db2.gz VXVMWFJDUWGBED-OAHLLOKOSA-N 2 0 280.362 2.931 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711351 397863605 /nfs/dbraw/zinc/86/36/05/397863605.db2.gz QIMAOIPZSKDNKK-VXGBXAGGSA-N 2 0 268.426 2.706 20 0 CFADRP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1SC ZINC000650712733 397864582 /nfs/dbraw/zinc/86/45/82/397864582.db2.gz ROAPLYLNDVSILN-UHFFFAOYSA-N 2 0 280.437 2.636 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC000650712583 397865045 /nfs/dbraw/zinc/86/50/45/397865045.db2.gz LCLUKYRICSOEIW-UHFFFAOYSA-N 2 0 273.355 2.593 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714081 397865612 /nfs/dbraw/zinc/86/56/12/397865612.db2.gz QMGHSAIXFOLFSB-CYBMUJFWSA-N 2 0 264.388 2.865 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000650714299 397865826 /nfs/dbraw/zinc/86/58/26/397865826.db2.gz YIDWWLVDDOQLCE-CQSZACIVSA-N 2 0 264.800 2.526 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713612 397865910 /nfs/dbraw/zinc/86/59/10/397865910.db2.gz XPUOUQUAKFXQTO-NVXWUHKLSA-N 3 0 293.499 2.748 20 0 CFADRP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000650717980 397867740 /nfs/dbraw/zinc/86/77/40/397867740.db2.gz STUWQKJPWBQLJV-CYBMUJFWSA-N 2 0 250.361 2.953 20 0 CFADRP CCOc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650718704 397868386 /nfs/dbraw/zinc/86/83/86/397868386.db2.gz UFJQPFPKVVSHJO-UHFFFAOYSA-N 2 0 288.366 2.973 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]CCCc1ccc(C)nc1 ZINC000650720599 397869028 /nfs/dbraw/zinc/86/90/28/397869028.db2.gz VGCXATJYPCQHAL-UHFFFAOYSA-N 2 0 283.419 2.832 20 0 CFADRP c1ccc2c(c1)CC[C@H](CC[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)N2 ZINC000650720838 397869159 /nfs/dbraw/zinc/86/91/59/397869159.db2.gz CMOSFSZJKJGTBV-BRSBDYLESA-N 2 0 299.462 2.781 20 0 CFADRP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724221 397871387 /nfs/dbraw/zinc/87/13/87/397871387.db2.gz AGWRRMAMHNAMTF-CXAGYDPISA-N 2 0 276.399 2.787 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722505 397871396 /nfs/dbraw/zinc/87/13/96/397871396.db2.gz VVPJUQZAHJSGIP-KURKYZTESA-N 2 0 288.435 2.856 20 0 CFADRP CC[C@H](OCC[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000650741378 397875294 /nfs/dbraw/zinc/87/52/94/397875294.db2.gz CIIPAOCYXWGXAM-BBWFWOEESA-N 2 0 276.424 2.871 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccccc2C)CCC1 ZINC000650741174 397875796 /nfs/dbraw/zinc/87/57/96/397875796.db2.gz ZLQJUSWYMQIBPV-HNNXBMFYSA-N 2 0 276.424 2.718 20 0 CFADRP CC[N@H+](CCCN[C@@H]1C[NH2+]CC[C@@H]1C)C1CCCCC1 ZINC000650742441 397876682 /nfs/dbraw/zinc/87/66/82/397876682.db2.gz YFWHQLRUZYJUFF-DOTOQJQBSA-N 2 0 281.488 2.619 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000650742923 397877281 /nfs/dbraw/zinc/87/72/81/397877281.db2.gz IFBOATPQDMJOMP-CQSZACIVSA-N 2 0 250.361 2.995 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-n2ccnc2)cc1 ZINC000650743390 397877379 /nfs/dbraw/zinc/87/73/79/397877379.db2.gz SDNXPHGIBCMLOD-CQSZACIVSA-N 2 0 284.407 2.652 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650744405 397878161 /nfs/dbraw/zinc/87/81/61/397878161.db2.gz NHTMFGRBSJALMJ-SNVBAGLBSA-N 2 0 267.442 2.794 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000650745419 397879035 /nfs/dbraw/zinc/87/90/35/397879035.db2.gz GNAAQMUYHDPYDZ-HNNXBMFYSA-N 2 0 262.372 2.922 20 0 CFADRP Cc1nc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(C)s1 ZINC000650745898 397879072 /nfs/dbraw/zinc/87/90/72/397879072.db2.gz QLIWDVAYUXVSAP-VIFPVBQESA-N 2 0 253.415 2.540 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000650746034 397879482 /nfs/dbraw/zinc/87/94/82/397879482.db2.gz URPGRZMKMQDXEH-INIZCTEOSA-N 2 0 258.409 2.726 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)C[C@H]1Oc1ccccc1 ZINC000650746638 397879499 /nfs/dbraw/zinc/87/94/99/397879499.db2.gz HFNFRHVLJAKKBS-HZPDHXFCSA-N 2 0 288.435 2.951 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cnn1C(C)C ZINC000650746885 397879661 /nfs/dbraw/zinc/87/96/61/397879661.db2.gz MVSTWEFVHCJDGW-LBPRGKRZSA-N 2 0 264.417 2.552 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000650747476 397880000 /nfs/dbraw/zinc/88/00/00/397880000.db2.gz ARZHNKFVGYCDCC-MRXNPFEDSA-N 2 0 258.409 2.653 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCSCC1 ZINC000650754259 397883552 /nfs/dbraw/zinc/88/35/52/397883552.db2.gz DZZZZSKLVRVVDC-NSHDSACASA-N 2 0 282.428 2.906 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccncc1 ZINC000650753533 397883628 /nfs/dbraw/zinc/88/36/28/397883628.db2.gz PKHJZSGBMZERNH-NSHDSACASA-N 2 0 259.328 2.530 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754683 397883720 /nfs/dbraw/zinc/88/37/20/397883720.db2.gz OOZCXSYUKCWRQL-BBRMVZONSA-N 2 0 280.387 2.579 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1CC1(C)C ZINC000650754317 397883752 /nfs/dbraw/zinc/88/37/52/397883752.db2.gz GGBGKOUQPYOFCR-GXFFZTMASA-N 2 0 250.361 2.809 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650754465 397884030 /nfs/dbraw/zinc/88/40/30/397884030.db2.gz JTRKTQDKVPOVKK-CVEARBPZSA-N 2 0 294.414 2.966 20 0 CFADRP [NH3+]Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c(F)c1 ZINC000650755918 397884455 /nfs/dbraw/zinc/88/44/55/397884455.db2.gz PJPGLEPGWNUZMD-IAGOWNOFSA-N 2 0 285.366 2.519 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000429517751 292127176 /nfs/dbraw/zinc/12/71/76/292127176.db2.gz HBJQVGDJWCXTEM-SOUVJXGZSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414918842 533674864 /nfs/dbraw/zinc/67/48/64/533674864.db2.gz VLLWLYVRCKIKRK-DOTOQJQBSA-N 2 0 260.425 2.987 20 0 CFADRP CCCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660255029 413195678 /nfs/dbraw/zinc/19/56/78/413195678.db2.gz XNZGDUWKRHVNEG-CVEARBPZSA-N 2 0 270.461 2.636 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(OC)c1 ZINC000404283235 413194454 /nfs/dbraw/zinc/19/44/54/413194454.db2.gz QTEXMKSTSFBBRN-CZUORRHYSA-N 2 0 292.423 2.653 20 0 CFADRP C[NH2+]CCCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404318877 413198971 /nfs/dbraw/zinc/19/89/71/413198971.db2.gz IKJZDUWUYPNYOS-ULQDDVLXSA-N 2 0 289.467 2.579 20 0 CFADRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404400854 413201603 /nfs/dbraw/zinc/20/16/03/413201603.db2.gz RDBJUQFKFPEMLY-PBHICJAKSA-N 2 0 292.423 2.523 20 0 CFADRP C[C@@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)[C@@H]1CC[NH3+] ZINC000404362910 413201165 /nfs/dbraw/zinc/20/11/65/413201165.db2.gz GDHCOMZBSKDKNN-RHSMWYFYSA-N 2 0 288.435 2.613 20 0 CFADRP Oc1cccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000663425268 413203600 /nfs/dbraw/zinc/20/36/00/413203600.db2.gz OHVQXLXMCQSATI-NSHDSACASA-N 2 0 269.348 2.589 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000356100195 155162849 /nfs/dbraw/zinc/16/28/49/155162849.db2.gz ACWJKQSOYCOSFX-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)O[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000404669668 413211740 /nfs/dbraw/zinc/21/17/40/413211740.db2.gz VOAHNFLVVPMWGT-SFHVURJKSA-N 2 0 288.435 2.722 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000362978281 286013590 /nfs/dbraw/zinc/01/35/90/286013590.db2.gz YPHUQXMAZXSITG-QLFBSQMISA-N 2 0 256.434 2.558 20 0 CFADRP Cc1cc(CN(C)CC(C)(C)[NH3+])ccc1Br ZINC000656783630 413219910 /nfs/dbraw/zinc/21/99/10/413219910.db2.gz RNQKQBKTFYFECL-UHFFFAOYSA-N 2 0 285.229 2.927 20 0 CFADRP C([NH2+][C@@H]1CCCSCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466234 413221285 /nfs/dbraw/zinc/22/12/85/413221285.db2.gz PTJLSJKJBNVINI-HZPDHXFCSA-N 2 0 282.497 2.984 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000279821495 286024117 /nfs/dbraw/zinc/02/41/17/286024117.db2.gz YELTUTGPZITYNS-RDJZCZTQSA-N 2 0 276.424 2.838 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261619060 286028769 /nfs/dbraw/zinc/02/87/69/286028769.db2.gz UIWOCCWACZGTOV-SOUVJXGZSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784820 413223921 /nfs/dbraw/zinc/22/39/21/413223921.db2.gz HNQJHIUVONRBQF-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCCC1 ZINC000122522572 286048996 /nfs/dbraw/zinc/04/89/96/286048996.db2.gz BWZJSFPLKUTFSE-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656784178 413225547 /nfs/dbraw/zinc/22/55/47/413225547.db2.gz ZHSPTQHAYBAFGC-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422892638 286048149 /nfs/dbraw/zinc/04/81/49/286048149.db2.gz YYVDYPDGEHSJFZ-LSDHHAIUSA-N 2 0 268.445 2.704 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCCC1 ZINC000361979843 286048963 /nfs/dbraw/zinc/04/89/63/286048963.db2.gz BWZJSFPLKUTFSE-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP COCC(C)(C)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000494846279 292197063 /nfs/dbraw/zinc/19/70/63/292197063.db2.gz PXGMLCFPIZGLRL-CQSZACIVSA-N 2 0 256.434 2.513 20 0 CFADRP COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261636961 292198836 /nfs/dbraw/zinc/19/88/36/292198836.db2.gz WNZLXIYQDROMPD-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP COCC(C)(C)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000494846274 292197407 /nfs/dbraw/zinc/19/74/07/292197407.db2.gz PXGMLCFPIZGLRL-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1nccn1C ZINC000663468764 413230271 /nfs/dbraw/zinc/23/02/71/413230271.db2.gz MQFISUINICLWCE-CVEARBPZSA-N 2 0 290.455 2.583 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@H](C3CCCCC3)C2)CC[NH2+]C1 ZINC000656790603 413233760 /nfs/dbraw/zinc/23/37/60/413233760.db2.gz CMUCNCKGYOEYHC-JKSUJKDBSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656789777 413233906 /nfs/dbraw/zinc/23/39/06/413233906.db2.gz YCCHNXTYMYLGOT-GFCCVEGCSA-N 2 0 250.361 2.618 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC=CC2)[C@@H](C)C1 ZINC000660305276 413234138 /nfs/dbraw/zinc/23/41/38/413234138.db2.gz JZXHMHIIFXRQCC-DOTOQJQBSA-N 2 0 280.456 2.679 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CC1([NH3+])CCCC1 ZINC000656789722 413235167 /nfs/dbraw/zinc/23/51/67/413235167.db2.gz WJXVHEIFXNVQNL-ZDUSSCGKSA-N 2 0 286.423 2.745 20 0 CFADRP C(C1CC[NH2+]CC1)[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656790753 413235614 /nfs/dbraw/zinc/23/56/14/413235614.db2.gz NJCMCHZHQKINGW-INIZCTEOSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCCC3)CC2)C1 ZINC000656789365 413236411 /nfs/dbraw/zinc/23/64/11/413236411.db2.gz NNOBBSHTTQBJQC-DOTOQJQBSA-N 2 0 293.499 2.891 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[C@H]3CCC[N@H+](C)C3)C[C@H]2C1 ZINC000424338224 286113441 /nfs/dbraw/zinc/11/34/41/286113441.db2.gz UHJMQBCTQIXULY-UUAJXVIYSA-N 2 0 280.456 2.512 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[C@@H]3CCC[N@H+](C)C3)C[C@H]2C1 ZINC000424338222 286115199 /nfs/dbraw/zinc/11/51/99/286115199.db2.gz UHJMQBCTQIXULY-FIDHJVLJSA-N 2 0 280.456 2.512 20 0 CFADRP CSC1(C[NH2+]C[C@H]2N(C)CCCC2(C)C)CCC1 ZINC000356396640 155251810 /nfs/dbraw/zinc/25/18/10/155251810.db2.gz PLCVZDXXMFYFPO-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP CO[C@]1(C)C[C@@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000420305837 286164797 /nfs/dbraw/zinc/16/47/97/286164797.db2.gz QBWVAPDNSPVOKL-IIAWOOMASA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1(C)C ZINC000353520283 286172143 /nfs/dbraw/zinc/17/21/43/286172143.db2.gz NTDITOSAVZWYPB-WVCIDPQESA-N 2 0 280.456 2.652 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499063 413244472 /nfs/dbraw/zinc/24/44/72/413244472.db2.gz WBKVOJAKWNDRIM-KDFVVIITSA-N 2 0 274.383 2.803 20 0 CFADRP COc1cccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1OC(C)C ZINC000663498676 413244628 /nfs/dbraw/zinc/24/46/28/413244628.db2.gz RKGFQNKHOCXYHM-OAHLLOKOSA-N 2 0 294.439 2.945 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc2ncccc2c1 ZINC000663499314 413244731 /nfs/dbraw/zinc/24/47/31/413244731.db2.gz XURVHEYMEVNRFH-OAHLLOKOSA-N 2 0 257.381 2.698 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499540 413245031 /nfs/dbraw/zinc/24/50/31/413245031.db2.gz YFXACEBELMXWFM-ODIFPOPNSA-N 2 0 258.409 2.658 20 0 CFADRP c1cnn([C@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000119940983 296637067 /nfs/dbraw/zinc/63/70/67/296637067.db2.gz MYJOAPLZHJOOHZ-SJORKVTESA-N 2 0 290.455 2.832 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC[NH2+]1 ZINC000663500308 413246308 /nfs/dbraw/zinc/24/63/08/413246308.db2.gz JQVPZYYNHMXYLI-NUJGCVRESA-N 2 0 287.451 2.585 20 0 CFADRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1SC ZINC000663498502 413246515 /nfs/dbraw/zinc/24/65/15/413246515.db2.gz NTQMNXGAIHMCCM-CYBMUJFWSA-N 2 0 282.453 2.880 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000663499410 413247070 /nfs/dbraw/zinc/24/70/70/413247070.db2.gz JPXYDABTUMFCEO-CQSZACIVSA-N 2 0 282.815 2.738 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000663500695 413247140 /nfs/dbraw/zinc/24/71/40/413247140.db2.gz TVPZYWCPWVXTAI-CYBMUJFWSA-N 2 0 258.768 2.942 20 0 CFADRP CCOc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663498536 413247453 /nfs/dbraw/zinc/24/74/53/413247453.db2.gz PIMBFMVLIFOBQS-CQSZACIVSA-N 2 0 280.412 2.557 20 0 CFADRP CCO[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000423084113 286201005 /nfs/dbraw/zinc/20/10/05/286201005.db2.gz HIKSNVIGYDHJJL-PREGVCBESA-N 2 0 276.424 2.871 20 0 CFADRP Cc1cnn([C@H]2CC[N@H+](CCCc3ccc(C)nc3)C2)c1 ZINC000356521695 155291208 /nfs/dbraw/zinc/29/12/08/155291208.db2.gz JRBGXTOMOUVNLK-KRWDZBQOSA-N 2 0 284.407 2.775 20 0 CFADRP CCc1noc(C2CCC([NH2+]CC[C@@H]([NH3+])C(C)C)CC2)n1 ZINC000663502776 413250775 /nfs/dbraw/zinc/25/07/75/413250775.db2.gz LRALVIZGUUVMNT-JXQTWKCFSA-N 2 0 294.443 2.621 20 0 CFADRP COCC1(C[NH2+]C2CCC(C[NH3+])CC2)CCCCC1 ZINC000423139828 292245528 /nfs/dbraw/zinc/24/55/28/292245528.db2.gz LOMIXBYHCSHQTF-UHFFFAOYSA-N 2 0 268.445 2.690 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cc(C)oc2C)CC[NH2+]CC1 ZINC000423411023 292246413 /nfs/dbraw/zinc/24/64/13/292246413.db2.gz SYNTZXXXSIWMIT-ZDUSSCGKSA-N 2 0 280.412 2.563 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000663514163 413256771 /nfs/dbraw/zinc/25/67/71/413256771.db2.gz NSCRHICTBMPIJE-VXGBXAGGSA-N 2 0 286.366 2.807 20 0 CFADRP C[NH2+]C[C@H](C)N[C@H](C)CCc1ccc(Cl)s1 ZINC000663514857 413257572 /nfs/dbraw/zinc/25/75/72/413257572.db2.gz UXQCRDQJQYFUMC-ZJUUUORDSA-N 2 0 260.834 2.920 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C12CCCC2 ZINC000423346799 286285787 /nfs/dbraw/zinc/28/57/87/286285787.db2.gz QGTFYWQFYUXDHV-BZUAXINKSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C12CCCC2 ZINC000250510502 286291599 /nfs/dbraw/zinc/29/15/99/286291599.db2.gz NQKCSYVRZUDDKY-RBSFLKMASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000653279874 413272547 /nfs/dbraw/zinc/27/25/47/413272547.db2.gz HLGOCSXJLZCVEA-LRDDRELGSA-N 2 0 255.365 2.546 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3)CCC2)C1 ZINC000574100026 413274240 /nfs/dbraw/zinc/27/42/40/413274240.db2.gz LCASWRLXWKFBOW-HZPDHXFCSA-N 2 0 258.409 2.968 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356831916 155385329 /nfs/dbraw/zinc/38/53/29/155385329.db2.gz BIWUSZNWSNZESG-ARFHVFGLSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCC[NH+](C)C ZINC000353273890 286386405 /nfs/dbraw/zinc/38/64/05/286386405.db2.gz QVKXWCOFGHGVPH-INIZCTEOSA-N 2 0 276.424 2.959 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C12CCCC2 ZINC000423463453 286391095 /nfs/dbraw/zinc/39/10/95/286391095.db2.gz FZXWZBADIYSKPT-XUWVNRHRSA-N 2 0 280.456 2.831 20 0 CFADRP CC(C)[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348034229 154292276 /nfs/dbraw/zinc/29/22/76/154292276.db2.gz BRQCZXLNSDYAPB-SZMVWBNQSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@@H](C[NH2+]CCCC1CCCCC1)CN1CC[NH+](C)CC1 ZINC000348052606 154298537 /nfs/dbraw/zinc/29/85/37/154298537.db2.gz YVSYWYGDJGXKGU-KRWDZBQOSA-N 2 0 295.515 2.820 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348113570 154325776 /nfs/dbraw/zinc/32/57/76/154325776.db2.gz XMTGCWHNMRTCCK-QZTJIDSGSA-N 2 0 288.435 2.905 20 0 CFADRP CN(C)Cc1cnc(CN2CCCC3(CC3)C2)s1 ZINC000348177985 154350396 /nfs/dbraw/zinc/35/03/96/154350396.db2.gz ZKDBTQYORBDUSD-UHFFFAOYSA-N 2 0 265.426 2.581 20 0 CFADRP CSC1(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000348252460 154382602 /nfs/dbraw/zinc/38/26/02/154382602.db2.gz BXTZRPVUCVXYLQ-ZDUSSCGKSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)F ZINC000348273590 154389728 /nfs/dbraw/zinc/38/97/28/154389728.db2.gz ACZDBPDPZONLPY-REBRKWNGSA-N 2 0 295.377 2.535 20 0 CFADRP COCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000247097367 292307941 /nfs/dbraw/zinc/30/79/41/292307941.db2.gz OMJXIHJUSZPKGC-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000449225211 286442804 /nfs/dbraw/zinc/44/28/04/286442804.db2.gz SPEWEFDKTRMVQG-CAOSSQGBSA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C1CCCC1 ZINC000422823764 286446628 /nfs/dbraw/zinc/44/66/28/286446628.db2.gz MDQRWOQUWWXSBB-BHYGNILZSA-N 2 0 282.472 2.950 20 0 CFADRP OC[C@@H](CC1CCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000355533552 155033996 /nfs/dbraw/zinc/03/39/96/155033996.db2.gz PJHGDXFIJHIWSO-QGZVFWFLSA-N 2 0 294.483 2.924 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000355564476 155042217 /nfs/dbraw/zinc/04/22/17/155042217.db2.gz GVTURZUXTMPACE-LBPRGKRZSA-N 2 0 253.390 2.583 20 0 CFADRP CC[C@H]1C[C@@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000355769664 155081081 /nfs/dbraw/zinc/08/10/81/155081081.db2.gz RIDNTACZGFGMNN-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](CCC1CC[NH+](Cc2cnc[nH]2)CC1)CC1CC1 ZINC000355889696 155109807 /nfs/dbraw/zinc/10/98/07/155109807.db2.gz LIWUTGYQHGBQMJ-UHFFFAOYSA-N 2 0 290.455 2.744 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000360176457 156041330 /nfs/dbraw/zinc/04/13/30/156041330.db2.gz BBUIOVNJGXHPJB-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[N@H+](CCCc1ccsc1)C[C@H]1CCC[NH+](C)C1 ZINC000360971086 156064919 /nfs/dbraw/zinc/06/49/19/156064919.db2.gz YGMJMIZCRVLYFA-OAHLLOKOSA-N 2 0 266.454 2.954 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccnc2OC)CC1 ZINC000362959954 156128484 /nfs/dbraw/zinc/12/84/84/156128484.db2.gz HKRDHQTUKFEJML-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CC/C=C/CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000363844442 156199698 /nfs/dbraw/zinc/19/96/98/156199698.db2.gz PVLVKLGAHFDFAA-AATRIKPKSA-N 2 0 293.499 2.833 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000363883070 156202545 /nfs/dbraw/zinc/20/25/45/156202545.db2.gz GPNQBUFPBVVFRI-KOZAUXTDSA-N 2 0 292.398 2.968 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000367309639 156311784 /nfs/dbraw/zinc/31/17/84/156311784.db2.gz XQSJLWPAMROPEB-QGZVFWFLSA-N 2 0 296.418 2.568 20 0 CFADRP CSCCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310164 156311964 /nfs/dbraw/zinc/31/19/64/156311964.db2.gz NLAYWMWIQHVFSH-AWEZNQCLSA-N 2 0 282.497 2.936 20 0 CFADRP CC(C)[NH+](CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000367552224 156347011 /nfs/dbraw/zinc/34/70/11/156347011.db2.gz MWVKWDWGQOTXEM-KZNAEPCWSA-N 3 0 295.515 2.958 20 0 CFADRP OC[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000367580278 156353963 /nfs/dbraw/zinc/35/39/63/156353963.db2.gz MCMALHKCZPGILN-JKSUJKDBSA-N 2 0 294.483 2.782 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367593195 156356018 /nfs/dbraw/zinc/35/60/18/156356018.db2.gz GLPOEVXLQSUORJ-YESZJQIVSA-N 2 0 274.408 2.528 20 0 CFADRP CCCCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367603307 156360569 /nfs/dbraw/zinc/36/05/69/156360569.db2.gz YZPRIKJSKZETSC-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)[C@H]2CCC[C@@H]21 ZINC000367611573 156362300 /nfs/dbraw/zinc/36/23/00/156362300.db2.gz CFFANPKPEPNNRV-PMPSAXMXSA-N 2 0 280.362 2.927 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367612684 156363080 /nfs/dbraw/zinc/36/30/80/156363080.db2.gz DVDKPBZMFHVLMK-GVDBMIGSSA-N 2 0 274.408 2.658 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367615747 156364317 /nfs/dbraw/zinc/36/43/17/156364317.db2.gz MAXBCQFXHQLXQY-ULQDDVLXSA-N 2 0 276.399 2.831 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000367619600 156364792 /nfs/dbraw/zinc/36/47/92/156364792.db2.gz XABXWSLXIIQPNC-SWHNLWLKSA-N 2 0 280.456 2.654 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367617477 156365102 /nfs/dbraw/zinc/36/51/02/156365102.db2.gz NLBTYUGFJDJXTA-ZACQAIPSSA-N 2 0 274.408 2.658 20 0 CFADRP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]cc1-c1cccnc1 ZINC000367645942 156371813 /nfs/dbraw/zinc/37/18/13/156371813.db2.gz SMNOPIXAAQKTAQ-OAHLLOKOSA-N 2 0 296.418 2.852 20 0 CFADRP C[NH+](C)CC1(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCCC1 ZINC000367725484 156382483 /nfs/dbraw/zinc/38/24/83/156382483.db2.gz KLMIWMFINLPNJS-BBWFWOEESA-N 2 0 293.499 2.571 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000159189986 292350208 /nfs/dbraw/zinc/35/02/08/292350208.db2.gz WONHHKNJGPAQSW-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373521162 157002606 /nfs/dbraw/zinc/00/26/06/157002606.db2.gz KGKMXQLKJXKZJY-SSHXOBKSSA-N 2 0 280.456 2.797 20 0 CFADRP CCCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373982688 157053633 /nfs/dbraw/zinc/05/36/33/157053633.db2.gz ZIARBABQEKFYLQ-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1cc[nH]c1)CC2)C1CC1 ZINC000374282811 157093391 /nfs/dbraw/zinc/09/33/91/157093391.db2.gz JOOWTIIMGIKTMB-HNNXBMFYSA-N 2 0 273.424 2.711 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc(F)c1 ZINC000374423724 157112165 /nfs/dbraw/zinc/11/21/65/157112165.db2.gz XEBXBVQIDRSTRW-IXDOHACOSA-N 2 0 292.398 2.509 20 0 CFADRP C1CC1[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000374499700 157123241 /nfs/dbraw/zinc/12/32/41/157123241.db2.gz DASGODMMTDGTAK-ROUUACIJSA-N 2 0 292.467 2.941 20 0 CFADRP CCC(CC)(CC)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000374714866 157153351 /nfs/dbraw/zinc/15/33/51/157153351.db2.gz MRULGKRXFIPHKM-KRWDZBQOSA-N 2 0 295.515 2.915 20 0 CFADRP COCCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374907052 157171400 /nfs/dbraw/zinc/17/14/00/157171400.db2.gz CGGKAHOEPPNGCD-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)C(C)(C)C ZINC000375057598 157190473 /nfs/dbraw/zinc/19/04/73/157190473.db2.gz GIQYRLBYROHCQI-DZKIICNBSA-N 2 0 292.471 2.827 20 0 CFADRP C[NH+](C)CC(C)(C)CNc1cc[nH+]cc1-c1cccnc1 ZINC000375924542 157306076 /nfs/dbraw/zinc/30/60/76/157306076.db2.gz JCUAKFMQQOMPGY-UHFFFAOYSA-N 2 0 284.407 2.565 20 0 CFADRP C[N@@H+]1CCCC12CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC000663769140 413363846 /nfs/dbraw/zinc/36/38/46/413363846.db2.gz RUWHEXSSLVMFKT-UHFFFAOYSA-N 2 0 270.380 2.628 20 0 CFADRP COCCC[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000177836721 292382098 /nfs/dbraw/zinc/38/20/98/292382098.db2.gz RMKXVDYNOAJHGJ-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000660540628 413385358 /nfs/dbraw/zinc/38/53/58/413385358.db2.gz DIUPFIQWESQXJD-FVGDGBDSSA-N 2 0 293.499 2.521 20 0 CFADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660548774 413389299 /nfs/dbraw/zinc/38/92/99/413389299.db2.gz FSEATYIGUSSWSN-XDNAFOTISA-N 2 0 293.499 2.523 20 0 CFADRP c1ncn2c1C[N@H+](C[C@@H]1CCc3ccccc3C1)CC2 ZINC000660581299 413410692 /nfs/dbraw/zinc/41/06/92/413410692.db2.gz AFXMPEPGVYPDBZ-CQSZACIVSA-N 2 0 267.376 2.504 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CCC12CCOCC2)[NH+]1CCCCC1 ZINC000376739667 286811556 /nfs/dbraw/zinc/81/15/56/286811556.db2.gz KSMWWWWXDIJFNN-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000657296431 413415137 /nfs/dbraw/zinc/41/51/37/413415137.db2.gz HTWLQFGFEPVZMP-QZTJIDSGSA-N 2 0 288.435 2.940 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000657300711 413418931 /nfs/dbraw/zinc/41/89/31/413418931.db2.gz SWGOMTXCAHDGLX-UHFFFAOYSA-N 2 0 298.434 2.645 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657311334 413431566 /nfs/dbraw/zinc/43/15/66/413431566.db2.gz JXIQABHFFFWTEK-OAHLLOKOSA-N 2 0 290.455 2.574 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)c1ccccn1)C1CC[NH+](C)CC1 ZINC000651383622 413433931 /nfs/dbraw/zinc/43/39/31/413433931.db2.gz XFXWXOBLZGWHPA-CQSZACIVSA-N 2 0 275.440 2.679 20 0 CFADRP CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccccn1 ZINC000344319881 162009240 /nfs/dbraw/zinc/00/92/40/162009240.db2.gz HUFIEWWTLKLPFZ-HNNXBMFYSA-N 2 0 259.397 2.774 20 0 CFADRP CCc1cnc(C[NH2+]CC2(C)CC[NH+](C)CC2)s1 ZINC000344324733 162010940 /nfs/dbraw/zinc/01/09/40/162010940.db2.gz HFWNLRMVGGGAOX-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)OC ZINC000651387928 413439320 /nfs/dbraw/zinc/43/93/20/413439320.db2.gz RNGKBXJPGJXRIU-PPWQZUPISA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000422992695 286913373 /nfs/dbraw/zinc/91/33/73/286913373.db2.gz QDLBWOCBFHGHPU-JBBLNQKSSA-N 2 0 250.430 2.774 20 0 CFADRP CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cnc2ccc(C)cn12 ZINC000344619208 162082624 /nfs/dbraw/zinc/08/26/24/162082624.db2.gz WAEVDWVFWJBXFF-KBPBESRZSA-N 2 0 275.396 2.529 20 0 CFADRP CCC1CCC([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000344664842 162093120 /nfs/dbraw/zinc/09/31/20/162093120.db2.gz IHHWGXFMHCUFGQ-UHFFFAOYSA-N 2 0 282.472 2.780 20 0 CFADRP COC[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346201409 162350035 /nfs/dbraw/zinc/35/00/35/162350035.db2.gz NINSDVWLJSWEDZ-ZDUSSCGKSA-N 2 0 291.420 2.792 20 0 CFADRP Cc1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc2cccnc12 ZINC000346221017 162355822 /nfs/dbraw/zinc/35/58/22/162355822.db2.gz NOJUKCLFROKIPF-DLBZAZTESA-N 2 0 281.403 2.727 20 0 CFADRP COc1ccc(Cl)cc1C[N@H+](C)CCn1ccnc1C ZINC000346232199 162359917 /nfs/dbraw/zinc/35/99/17/162359917.db2.gz IXKFIQGTVXWVGL-UHFFFAOYSA-N 2 0 293.798 2.986 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000346336866 162386139 /nfs/dbraw/zinc/38/61/39/162386139.db2.gz PVGIPVAQAPZXGR-MELADBBJSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCO1 ZINC000346498829 162432157 /nfs/dbraw/zinc/43/21/57/162432157.db2.gz SVCAZKIYCPAPRK-CRAIPNDOSA-N 2 0 288.435 2.940 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346975566 162571576 /nfs/dbraw/zinc/57/15/76/162571576.db2.gz JGXRECPVVRWMBQ-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347396164 162679644 /nfs/dbraw/zinc/67/96/44/162679644.db2.gz UJUBELUUWBSXCK-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000349722294 163008749 /nfs/dbraw/zinc/00/87/49/163008749.db2.gz NVKCTUZTBZEKJM-VUROTCPHSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000349964243 163043554 /nfs/dbraw/zinc/04/35/54/163043554.db2.gz FACZERXVAAZSIS-FUHWJXTLSA-N 2 0 294.483 2.857 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351414424 163129107 /nfs/dbraw/zinc/12/91/07/163129107.db2.gz NFOIIRQAVHWZOO-SJORKVTESA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351475497 163131704 /nfs/dbraw/zinc/13/17/04/163131704.db2.gz IMOBWRUFTAZQSU-BPUTZDHNSA-N 2 0 274.408 2.643 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351502073 163136280 /nfs/dbraw/zinc/13/62/80/163136280.db2.gz ZELBBEFPYDTYMY-GVDBMIGSSA-N 2 0 258.409 2.597 20 0 CFADRP CN(C[C@H](O)C[N@@H+]1CCCC2(C1)CCCCCC2)C1CC1 ZINC000351522183 163140323 /nfs/dbraw/zinc/14/03/23/163140323.db2.gz XMMVSERFIKTMHG-KRWDZBQOSA-N 2 0 294.483 2.878 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCCOC ZINC000351825513 163197747 /nfs/dbraw/zinc/19/77/47/163197747.db2.gz ICNJEKRNEFPQFY-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000351866382 163205534 /nfs/dbraw/zinc/20/55/34/163205534.db2.gz SHXNXCAFCXMXLH-GDBMZVCRSA-N 2 0 288.435 2.984 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@H](CC(C)C)C(=O)OC)CC1 ZINC000351858312 163206530 /nfs/dbraw/zinc/20/65/30/163206530.db2.gz VOJZCNBGOLXMQZ-MRXNPFEDSA-N 2 0 298.471 2.628 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)o1 ZINC000352809346 163239615 /nfs/dbraw/zinc/23/96/15/163239615.db2.gz HGEVWMUGHUEGRW-GDZNZVCISA-N 2 0 276.424 2.981 20 0 CFADRP Cc1cnn(C)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000352836038 163246907 /nfs/dbraw/zinc/24/69/07/163246907.db2.gz ZRFDKBOLXFFXCY-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000352888582 163261403 /nfs/dbraw/zinc/26/14/03/163261403.db2.gz VIPHVIUHVLRGMI-SJORKVTESA-N 2 0 282.472 2.878 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+]CC(C)(C)Oc1cc(F)cc(F)c1 ZINC000352941844 163273650 /nfs/dbraw/zinc/27/36/50/163273650.db2.gz DPTRCETZUFMMPS-XHDPSFHLSA-N 2 0 298.377 2.662 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NCc1cnc2ccc(C)cn12 ZINC000353092688 163304368 /nfs/dbraw/zinc/30/43/68/163304368.db2.gz JGNKBJMWYQARQM-OAHLLOKOSA-N 2 0 288.439 2.853 20 0 CFADRP CSC1(C[NH2+]C[C@H]2CC=CCC2)CC[NH+](C)CC1 ZINC000353221839 163320735 /nfs/dbraw/zinc/32/07/35/163320735.db2.gz FNARSGUEZTWULY-AWEZNQCLSA-N 2 0 268.470 2.760 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353405673 163358496 /nfs/dbraw/zinc/35/84/96/163358496.db2.gz PMZCFBUJKRRPLN-BZSNNMDCSA-N 2 0 288.435 2.918 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000353444908 163367804 /nfs/dbraw/zinc/36/78/04/163367804.db2.gz GWCDSNZNKOCMLQ-UHFFFAOYSA-N 2 0 250.361 2.788 20 0 CFADRP CCCN(CC)C[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000353481465 163374034 /nfs/dbraw/zinc/37/40/34/163374034.db2.gz CYTCZOFQKFECDP-UONOGXRCSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000353521400 163384703 /nfs/dbraw/zinc/38/47/03/163384703.db2.gz RSRBRVAOKRWKTR-UHFFFAOYSA-N 2 0 298.377 2.507 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353532369 163387261 /nfs/dbraw/zinc/38/72/61/163387261.db2.gz WLZHIYBTWSZIRQ-UHFFFAOYSA-N 2 0 290.451 2.846 20 0 CFADRP C[C@@H](CC1CCOCC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353642133 163416152 /nfs/dbraw/zinc/41/61/52/163416152.db2.gz GNZJAXPADVJVHM-JEYLPNPQSA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000657334772 413463368 /nfs/dbraw/zinc/46/33/68/413463368.db2.gz GUWFPLCUSKPDCR-LSDHHAIUSA-N 2 0 294.439 2.530 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)[C@@]1(C)CCCO1 ZINC000340474830 287024020 /nfs/dbraw/zinc/02/40/20/287024020.db2.gz NTMFCYHQOASTSO-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CCCO1 ZINC000336813697 287023530 /nfs/dbraw/zinc/02/35/30/287023530.db2.gz VGLZHQWLOUBQPY-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422909339 287053011 /nfs/dbraw/zinc/05/30/11/287053011.db2.gz NUNKJNKLEUQRIV-OAGGEKHMSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402823 287050331 /nfs/dbraw/zinc/05/03/31/287050331.db2.gz NVHCTJBWKXEICA-QXSJWSMHSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000335155454 287056377 /nfs/dbraw/zinc/05/63/77/287056377.db2.gz IAQUVVJXSLFZND-MLGOLLRUSA-N 2 0 258.409 2.997 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)C[NH+]1CCCC1 ZINC000372999029 298781573 /nfs/dbraw/zinc/78/15/73/298781573.db2.gz JAKHZAADJSRTCG-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000284496404 196070651 /nfs/dbraw/zinc/07/06/51/196070651.db2.gz VMIFHLLLPZLUIG-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP C[NH+](C)C(C)(C)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000020125690 171008921 /nfs/dbraw/zinc/00/89/21/171008921.db2.gz HUPKHZSHJLJZEH-UHFFFAOYSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000020129025 171016014 /nfs/dbraw/zinc/01/60/14/171016014.db2.gz JLUIAZTXFSLKEA-ZDUSSCGKSA-N 2 0 250.361 2.962 20 0 CFADRP CC(C)[C@@H](CNC1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC000020200584 171064697 /nfs/dbraw/zinc/06/46/97/171064697.db2.gz CSQLMOPWNGZTIX-QGZVFWFLSA-N 2 0 281.488 2.569 20 0 CFADRP c1ccc(CC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000020270216 171125868 /nfs/dbraw/zinc/12/58/68/171125868.db2.gz ZLFCILDRNPMXIL-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000020593553 171263201 /nfs/dbraw/zinc/26/32/01/171263201.db2.gz PTBUXSQDXXWUQM-KRWDZBQOSA-N 2 0 258.409 2.995 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000660662418 413476173 /nfs/dbraw/zinc/47/61/73/413476173.db2.gz KBMLFLKUUCUCCK-WCXIOVBPSA-N 2 0 262.441 2.840 20 0 CFADRP C[C@H]([NH2+]C1CCC(OC(F)F)CC1)C1CC[NH+](C)CC1 ZINC000651469162 413489870 /nfs/dbraw/zinc/48/98/70/413489870.db2.gz FFZNZEGHPGHXSN-XGNXJENSSA-N 2 0 290.398 2.857 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000657355568 413491334 /nfs/dbraw/zinc/49/13/34/413491334.db2.gz UUPLJVDFLNYUNV-HNNXBMFYSA-N 2 0 276.424 2.825 20 0 CFADRP COCC[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679686 413491568 /nfs/dbraw/zinc/49/15/68/413491568.db2.gz SCRJWGMIGUYBJR-OAHLLOKOSA-N 2 0 276.424 2.666 20 0 CFADRP Fc1ccc(CC[NH2+]Cc2cnc3n2CCC3)c(Cl)c1 ZINC000657360436 413495114 /nfs/dbraw/zinc/49/51/14/413495114.db2.gz HHQLJNPRQMQTSJ-UHFFFAOYSA-N 2 0 293.773 2.954 20 0 CFADRP OC1(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CCCC1 ZINC000660680444 413495170 /nfs/dbraw/zinc/49/51/70/413495170.db2.gz YZNWXKZUURZVDI-UHFFFAOYSA-N 2 0 288.435 2.546 20 0 CFADRP CC[C@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)OC ZINC000660680789 413496926 /nfs/dbraw/zinc/49/69/26/413496926.db2.gz XSJUHKYFFSHOCR-QGZVFWFLSA-N 2 0 276.424 2.666 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CCCCC2)CC1 ZINC000660693327 413500889 /nfs/dbraw/zinc/50/08/89/413500889.db2.gz XSUPUUWCSVLFJX-UHFFFAOYSA-N 2 0 282.472 2.639 20 0 CFADRP CC[NH+](CC)CCCN1CC[NH+](C(C)(C)CC)CC1 ZINC000653810967 413509120 /nfs/dbraw/zinc/50/91/20/413509120.db2.gz WTDQZHTYGJLKNA-UHFFFAOYSA-N 2 0 269.477 2.525 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)CO1 ZINC000657382329 413532237 /nfs/dbraw/zinc/53/22/37/413532237.db2.gz JYHDBVAMZZHNAT-LSDHHAIUSA-N 2 0 256.434 2.652 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000035137858 172005140 /nfs/dbraw/zinc/00/51/40/172005140.db2.gz RPYNOOPUJMMFTG-UHFFFAOYSA-N 2 0 264.388 2.831 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+](CC)CC)[C@@H]1CCCCO1 ZINC000653875046 413557012 /nfs/dbraw/zinc/55/70/12/413557012.db2.gz OPPGKOGUCYRGDK-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000651674362 413559641 /nfs/dbraw/zinc/55/96/41/413559641.db2.gz LXYPOKHHQXXHRZ-BZSNNMDCSA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@]2(C)CC)CC1 ZINC000651677813 413567787 /nfs/dbraw/zinc/56/77/87/413567787.db2.gz VPLNQOZNKZZBMY-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000651682393 413567878 /nfs/dbraw/zinc/56/78/78/413567878.db2.gz YCWQQQGZRZTAQU-CABCVRRESA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)CO1 ZINC000657412987 413568687 /nfs/dbraw/zinc/56/86/87/413568687.db2.gz FWQSQFJBMLKWGR-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000651685734 413570165 /nfs/dbraw/zinc/57/01/65/413570165.db2.gz CCGVGDKTEIKPQX-HNNXBMFYSA-N 2 0 272.436 2.997 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@@]2(C)CC)CC1 ZINC000651705066 413582291 /nfs/dbraw/zinc/58/22/91/413582291.db2.gz GTKQEWUXWDXNND-FGTMMUONSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@]2(C)CC)CC1 ZINC000651705069 413582617 /nfs/dbraw/zinc/58/26/17/413582617.db2.gz GTKQEWUXWDXNND-SQNIBIBYSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccc2[nH]c(C[NH2+]CC3=CC[N@H+](C)CC3)cc21 ZINC000657428077 413589671 /nfs/dbraw/zinc/58/96/71/413589671.db2.gz XQNWTNCTZIBRSD-UHFFFAOYSA-N 2 0 269.392 2.828 20 0 CFADRP Fc1ccc(CC[NH2+]Cc2cnc3n2CCC3)c(F)c1F ZINC000657431844 413593705 /nfs/dbraw/zinc/59/37/05/413593705.db2.gz LMMGWTWTRIAPLX-UHFFFAOYSA-N 2 0 295.308 2.579 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000651733706 413597834 /nfs/dbraw/zinc/59/78/34/413597834.db2.gz QOGCCONZSLTKDM-XWTMOSNGSA-N 2 0 294.483 2.923 20 0 CFADRP CCc1cccc2cc(C[NH2+]CCOCC[NH+](C)C)oc21 ZINC000657436769 413604359 /nfs/dbraw/zinc/60/43/59/413604359.db2.gz HCVYWJNPHGXBFG-UHFFFAOYSA-N 2 0 290.407 2.663 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000657418664 413576641 /nfs/dbraw/zinc/57/66/41/413576641.db2.gz CLLFDMFHTJLRGN-AWEZNQCLSA-N 2 0 299.418 2.806 20 0 CFADRP C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657456146 413629200 /nfs/dbraw/zinc/62/92/00/413629200.db2.gz PCMXCGNUKSAJFN-UONOGXRCSA-N 2 0 270.380 2.793 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753010 413613201 /nfs/dbraw/zinc/61/32/01/413613201.db2.gz AVPIRPFKPIOBKK-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]1CCCCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753011 413614015 /nfs/dbraw/zinc/61/40/15/413614015.db2.gz AVPIRPFKPIOBKK-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651753021 413614815 /nfs/dbraw/zinc/61/48/15/413614815.db2.gz AZPFHUUTHODKQC-BZUAXINKSA-N 2 0 270.461 2.902 20 0 CFADRP Fc1cccc2c1OCC[C@@H]2NCc1cnc2n1CCC2 ZINC000657447178 413617592 /nfs/dbraw/zinc/61/75/92/413617592.db2.gz QHQUKIQJHTVYCG-AWEZNQCLSA-N 2 0 287.338 2.582 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657504469 413699873 /nfs/dbraw/zinc/69/98/73/413699873.db2.gz JEKLGHDQASSQDQ-XBXGTLAGSA-N 2 0 292.398 2.797 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000657525584 413702194 /nfs/dbraw/zinc/70/21/94/413702194.db2.gz SUONZPHSCHGENE-KRWDZBQOSA-N 2 0 298.434 2.835 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536263 413722274 /nfs/dbraw/zinc/72/22/74/413722274.db2.gz ZUMCNKVTHWNCSF-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1C ZINC000657572929 413761648 /nfs/dbraw/zinc/76/16/48/413761648.db2.gz GFGGPWMAQZAYAP-INIZCTEOSA-N 2 0 291.483 2.665 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC2(CC2)CC1 ZINC000657574068 413761911 /nfs/dbraw/zinc/76/19/11/413761911.db2.gz YEISTSIXLUJAMR-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000652343525 413900301 /nfs/dbraw/zinc/90/03/01/413900301.db2.gz PSKCDVIZVNABOI-RYUDHWBXSA-N 2 0 280.416 2.664 20 0 CFADRP Cc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc(C)n1 ZINC000664680339 413900512 /nfs/dbraw/zinc/90/05/12/413900512.db2.gz YNCOXHYGVPDBGT-HNNXBMFYSA-N 2 0 274.412 2.627 20 0 CFADRP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355178 413904843 /nfs/dbraw/zinc/90/48/43/413904843.db2.gz QQYIKZXPPLQLMC-GUYCJALGSA-N 2 0 289.423 2.594 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000657813240 413960314 /nfs/dbraw/zinc/96/03/14/413960314.db2.gz LGVAEVVVKNVYLQ-ROUUACIJSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)n1ccnc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657815977 413966040 /nfs/dbraw/zinc/96/60/40/413966040.db2.gz TWWCLSVVITUIFS-UHFFFAOYSA-N 2 0 290.455 2.676 20 0 CFADRP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)N1CCCC[C@H]1C ZINC000657834966 413985532 /nfs/dbraw/zinc/98/55/32/413985532.db2.gz JLKBGIDDZRJLRH-OLZOCXBDSA-N 2 0 274.399 2.927 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@H]2C)CCC1 ZINC000657835737 413987074 /nfs/dbraw/zinc/98/70/74/413987074.db2.gz OAPHVBQSCFOFAJ-KFWWJZLASA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000661441553 413987798 /nfs/dbraw/zinc/98/77/98/413987798.db2.gz IDQVGOQQRUTSGW-MAUKXSAKSA-N 2 0 299.418 2.855 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCC1 ZINC000657841852 413995557 /nfs/dbraw/zinc/99/55/57/413995557.db2.gz HIGVCOCPCMCJAD-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCSCC1)C[NH+]1CCCC1 ZINC000657847139 413999733 /nfs/dbraw/zinc/99/97/33/413999733.db2.gz UQEDNKJJIMOYKP-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP CCOC1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000657856781 414003436 /nfs/dbraw/zinc/00/34/36/414003436.db2.gz QKSNGXAJOOYSJG-UHFFFAOYSA-N 2 0 280.456 2.941 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2COC3(CCC3)C2)ccc1F ZINC000657884136 414027308 /nfs/dbraw/zinc/02/73/08/414027308.db2.gz KXAZIIMOHNLEQJ-HNNXBMFYSA-N 2 0 292.398 2.689 20 0 CFADRP CCOC1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000657909790 414046345 /nfs/dbraw/zinc/04/63/45/414046345.db2.gz SGPARHFUTKIATG-UHFFFAOYSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000037210968 173033028 /nfs/dbraw/zinc/03/30/28/173033028.db2.gz DPZAZNUAWIDHAV-HNNXBMFYSA-N 2 0 278.440 2.948 20 0 CFADRP Clc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037408185 173183409 /nfs/dbraw/zinc/18/34/09/173183409.db2.gz SDLKLSIIJKTTRY-CYBMUJFWSA-N 2 0 264.800 2.914 20 0 CFADRP CCC[N@H+](CCOc1ccccc1F)C1CC[NH2+]CC1 ZINC000037539233 173259588 /nfs/dbraw/zinc/25/95/88/173259588.db2.gz QLPROOAYSHRMHX-UHFFFAOYSA-N 2 0 280.387 2.669 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C2CC(CF)(CF)C2)CCCC1 ZINC000657973462 414083022 /nfs/dbraw/zinc/08/30/22/414083022.db2.gz GUBAIMIOMRHHJL-UHFFFAOYSA-N 2 0 274.399 2.786 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CCF)C1 ZINC000661694796 414138136 /nfs/dbraw/zinc/13/81/36/414138136.db2.gz BGZITHBJWYBOGW-HUUCEWRRSA-N 2 0 256.409 2.932 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2noc3ccccc32)CC1 ZINC000658067483 414152411 /nfs/dbraw/zinc/15/24/11/414152411.db2.gz WSQMAOPWLTYWCG-UHFFFAOYSA-N 2 0 287.407 2.833 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000658013369 414102915 /nfs/dbraw/zinc/10/29/15/414102915.db2.gz RVYKIOPVYIWNRB-KGLIPLIRSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C(F)F ZINC000658029163 414111620 /nfs/dbraw/zinc/11/16/20/414111620.db2.gz HIOSXYCJAYZABF-WAAKLRNESA-N 2 0 260.372 2.881 20 0 CFADRP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1(F)F ZINC000665265655 414221992 /nfs/dbraw/zinc/22/19/92/414221992.db2.gz YUDMNOXYHHBGIP-FRRDWIJNSA-N 2 0 252.308 2.766 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267451 414224808 /nfs/dbraw/zinc/22/48/08/414224808.db2.gz WWMXXIGSLFLBBK-UXLLHSPISA-N 2 0 279.472 2.501 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658137003 414228226 /nfs/dbraw/zinc/22/82/26/414228226.db2.gz GEXOPEGBSJFKHX-QZTJIDSGSA-N 2 0 288.435 2.531 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665274521 414229998 /nfs/dbraw/zinc/22/99/98/414229998.db2.gz SASNWLLBADTDGD-NOZJJQNGSA-N 2 0 283.366 2.791 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139285 414233990 /nfs/dbraw/zinc/23/39/90/414233990.db2.gz QLRIGBURXLRNDL-KZNAEPCWSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)C3CCC3)CC2)C1 ZINC000658088239 414179295 /nfs/dbraw/zinc/17/92/95/414179295.db2.gz PYWXMZUYNPSDOQ-ZTFGCOKTSA-N 2 0 294.483 2.780 20 0 CFADRP c1ccc([C@@H]2CC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000665279347 414238431 /nfs/dbraw/zinc/23/84/31/414238431.db2.gz APNTUIDXRUHGBR-JCUPBUFNSA-N 2 0 256.393 2.664 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CC[C@H](C)C1(C)C ZINC000665239098 414196061 /nfs/dbraw/zinc/19/60/61/414196061.db2.gz LZTZRCLSWDAFLJ-JBXGNFEISA-N 2 0 282.472 2.791 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237516 414197208 /nfs/dbraw/zinc/19/72/08/414197208.db2.gz CESVQSWHKNUZBW-UHTWSYAYSA-N 2 0 294.361 2.594 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2ccnc3ccccc23)CC1 ZINC000665239339 414198420 /nfs/dbraw/zinc/19/84/20/414198420.db2.gz RMDCOAHPJKFOLZ-UHFFFAOYSA-N 2 0 283.419 2.884 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665238710 414198685 /nfs/dbraw/zinc/19/86/85/414198685.db2.gz AZNWFXXIDZMRIM-KZNAEPCWSA-N 2 0 287.451 2.833 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000658108508 414205805 /nfs/dbraw/zinc/20/58/05/414205805.db2.gz ODOVKCRKFKYXNN-RRFJBIMHSA-N 2 0 284.488 2.882 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000658108504 414206142 /nfs/dbraw/zinc/20/61/42/414206142.db2.gz ODOVKCRKFKYXNN-QLFBSQMISA-N 2 0 284.488 2.882 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCCC1 ZINC000665246261 414207317 /nfs/dbraw/zinc/20/73/17/414207317.db2.gz AJTKMOIATBPQBV-GDBMZVCRSA-N 2 0 273.424 2.969 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000658109025 414210009 /nfs/dbraw/zinc/21/00/09/414210009.db2.gz RECGAPGDCNUAAW-AWEZNQCLSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccsc1 ZINC000658109160 414211789 /nfs/dbraw/zinc/21/17/89/414211789.db2.gz RHVCBVKNTFLCNN-KBPBESRZSA-N 2 0 283.485 2.671 20 0 CFADRP CC(C)C[C@H]1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000665279836 414243110 /nfs/dbraw/zinc/24/31/10/414243110.db2.gz NKEUSPMIAZYSPX-CIDNJEQPSA-N 2 0 250.430 2.933 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665282955 414246930 /nfs/dbraw/zinc/24/69/30/414246930.db2.gz FFXWNTFBAVWZCZ-XFKAJCMBSA-N 2 0 288.435 2.714 20 0 CFADRP COc1cccc(C2([NH2+][C@H](C)C[C@@H](C)[NH3+])CCC2)c1 ZINC000665283349 414247572 /nfs/dbraw/zinc/24/75/72/414247572.db2.gz MIVAZQXAGOEOKR-CHWSQXEVSA-N 2 0 262.397 2.790 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2c(C)cccc21 ZINC000665283441 414247589 /nfs/dbraw/zinc/24/75/89/414247589.db2.gz NXZCXEYPXVOOQP-YOEHRIQHSA-N 2 0 276.424 2.716 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])C1CCCCC1 ZINC000665282771 414247768 /nfs/dbraw/zinc/24/77/68/414247768.db2.gz BLEYQQAGPLDNRM-ZFWWWQNUSA-N 2 0 256.434 2.689 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000665282488 414249107 /nfs/dbraw/zinc/24/91/07/414249107.db2.gz ZDEVZZWUKRJGBQ-HIFRSBDPSA-N 2 0 267.392 2.881 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000665283821 414252173 /nfs/dbraw/zinc/25/21/73/414252173.db2.gz VRPDDBRYPCLKPS-MWDXBVQZSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165266 414256495 /nfs/dbraw/zinc/25/64/95/414256495.db2.gz HHSTVZYTCZLCRD-HNNXBMFYSA-N 2 0 275.440 2.928 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000658170661 414259014 /nfs/dbraw/zinc/25/90/14/414259014.db2.gz BWXBQZLKAPNKBN-VYDXJSESSA-N 2 0 276.424 2.522 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665285987 414260708 /nfs/dbraw/zinc/26/07/08/414260708.db2.gz BVJHLHLXQYSHRM-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299575 414273434 /nfs/dbraw/zinc/27/34/34/414273434.db2.gz PMDKKSBUEDTURW-HRCADAONSA-N 2 0 296.418 2.577 20 0 CFADRP CC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(F)(F)F ZINC000665301008 414273980 /nfs/dbraw/zinc/27/39/80/414273980.db2.gz MDBPKJJLGHYJDX-ZACCUICWSA-N 2 0 264.335 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@H](C)C1 ZINC000658191915 414275741 /nfs/dbraw/zinc/27/57/41/414275741.db2.gz IUGVBVOURCBOFM-AHCXZYCDSA-N 2 0 288.435 2.916 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3ccccc23)CC[N@@H+]1C ZINC000658211691 414284889 /nfs/dbraw/zinc/28/48/89/414284889.db2.gz BCZZOVXYVVQCNJ-ZBFHGGJFSA-N 2 0 285.435 2.793 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[NH3+] ZINC000037713868 173632569 /nfs/dbraw/zinc/63/25/69/173632569.db2.gz YSOKKUNQKPRDAF-VIFPVBQESA-N 2 0 255.431 2.748 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000658229420 414300903 /nfs/dbraw/zinc/30/09/03/414300903.db2.gz RSPFXNCRTXFKJD-NVXWUHKLSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2C(C)(C)C2(F)F)CC1 ZINC000658284226 414342115 /nfs/dbraw/zinc/34/21/15/414342115.db2.gz OZVRZUHNHSICAD-LBPRGKRZSA-N 2 0 260.372 2.740 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000658312716 414367119 /nfs/dbraw/zinc/36/71/19/414367119.db2.gz ALUXFLAFWUDRIQ-BBRMVZONSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+]CCCc1ccco1)C1CC[NH+](C)CC1 ZINC000658326928 414374794 /nfs/dbraw/zinc/37/47/94/414374794.db2.gz LKWRDORLMQMDRC-ZDUSSCGKSA-N 2 0 250.386 2.532 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000658328846 414378372 /nfs/dbraw/zinc/37/83/72/414378372.db2.gz HVKYAWVZFYTMJH-RHSMWYFYSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CC(F)(F)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000658338000 414387134 /nfs/dbraw/zinc/38/71/34/414387134.db2.gz ZWZIICUBMGRUSF-NSHDSACASA-N 2 0 262.388 2.988 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000655720362 414389752 /nfs/dbraw/zinc/38/97/52/414389752.db2.gz UOXLUCQBHZVCRE-AWEZNQCLSA-N 2 0 291.439 2.863 20 0 CFADRP CCC[C@H](C)[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000658344022 414389999 /nfs/dbraw/zinc/38/99/99/414389999.db2.gz NJNPJQGKZRJZIM-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000658347559 414391877 /nfs/dbraw/zinc/39/18/77/414391877.db2.gz DRQWDEQQTOYGAR-SHTZXODSSA-N 2 0 282.472 2.779 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000662243236 414472327 /nfs/dbraw/zinc/47/23/27/414472327.db2.gz HBUQZISMISKVMY-FRFSOERESA-N 2 0 258.409 2.776 20 0 CFADRP COc1cccc(C2([NH2+]CCn3ccnc3)CCC2)c1 ZINC000662108977 414411000 /nfs/dbraw/zinc/41/10/00/414411000.db2.gz DJCHQZRNGMCZNJ-UHFFFAOYSA-N 2 0 271.364 2.561 20 0 CFADRP COc1cc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)ccn1 ZINC000655775081 414425277 /nfs/dbraw/zinc/42/52/77/414425277.db2.gz OIVRTNXNPOFYQS-LBPRGKRZSA-N 2 0 282.347 2.589 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000655774887 414425374 /nfs/dbraw/zinc/42/53/74/414425374.db2.gz KUIGLJPOLGJTIL-WCQYABFASA-N 2 0 261.394 2.708 20 0 CFADRP CCCC[C@@H](CC)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153400 414434762 /nfs/dbraw/zinc/43/47/62/414434762.db2.gz REZMGIUEXGXMIZ-NVXWUHKLSA-N 2 0 282.472 2.734 20 0 CFADRP CCCCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000662157144 414435817 /nfs/dbraw/zinc/43/58/17/414435817.db2.gz TZIIBYUURDNNSF-CVEARBPZSA-N 2 0 270.461 2.734 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccncc1Cl ZINC000655803191 414448590 /nfs/dbraw/zinc/44/85/90/414448590.db2.gz MTMHUIKPUYTZRG-UTUOFQBUSA-N 2 0 267.804 2.726 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000655804931 414448733 /nfs/dbraw/zinc/44/87/33/414448733.db2.gz GLKNPHILTGGBOF-UKMLZYKCSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000655803970 414448784 /nfs/dbraw/zinc/44/87/84/414448784.db2.gz KHHORRYDIZPAQV-XZJROXQQSA-N 2 0 277.387 2.602 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805144 414448957 /nfs/dbraw/zinc/44/89/57/414448957.db2.gz JKEKEKCBRCFOBC-QXSJWSMHSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000655804091 414449283 /nfs/dbraw/zinc/44/92/83/414449283.db2.gz OWFBAGYKZLHVRB-MAZHCROVSA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805125 414449612 /nfs/dbraw/zinc/44/96/12/414449612.db2.gz CSGNHFAZQQLIOM-XPKDYRNWSA-N 2 0 264.388 2.687 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806076 414450904 /nfs/dbraw/zinc/45/09/04/414450904.db2.gz YQATXFZEHXVFNA-YUELXQCFSA-N 2 0 266.454 2.999 20 0 CFADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655806786 414451212 /nfs/dbraw/zinc/45/12/12/414451212.db2.gz BIPSBUYFZBYVQH-MRRJBJDNSA-N 2 0 289.423 2.636 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000655806528 414451375 /nfs/dbraw/zinc/45/13/75/414451375.db2.gz BEDIXFUCFCQECX-KBAYOESNSA-N 2 0 287.451 2.703 20 0 CFADRP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655807040 414451548 /nfs/dbraw/zinc/45/15/48/414451548.db2.gz HNWHRGBJPBMXTB-MCIONIFRSA-N 2 0 292.423 2.695 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806154 414451592 /nfs/dbraw/zinc/45/15/92/414451592.db2.gz ZXZKTBGFGCVXOW-LNCBFAARSA-N 2 0 258.409 2.850 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(F)c1 ZINC000655807967 414453523 /nfs/dbraw/zinc/45/35/23/414453523.db2.gz YGLIUYSWKHHFFT-RWMBFGLXSA-N 2 0 280.387 2.825 20 0 CFADRP CC1=C[C@@H](C)C[C@H](C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000655824075 414460326 /nfs/dbraw/zinc/46/03/26/414460326.db2.gz DMSMWBYIURQECC-BVUBDWEXSA-N 2 0 250.430 2.909 20 0 CFADRP CC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](CC)CC ZINC000665854975 414461485 /nfs/dbraw/zinc/46/14/85/414461485.db2.gz DWQBGHPGAVWEJC-AWEZNQCLSA-N 2 0 297.487 2.532 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000655826018 414462029 /nfs/dbraw/zinc/46/20/29/414462029.db2.gz CKJQLFRKLBVNPX-RDTNEVNZSA-N 2 0 262.372 2.769 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2nccc3ccccc32)C1 ZINC000655826487 414462370 /nfs/dbraw/zinc/46/23/70/414462370.db2.gz GBFOVRUGBLLRHC-OTVXOJSOSA-N 2 0 269.392 2.665 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC000662247292 414473848 /nfs/dbraw/zinc/47/38/48/414473848.db2.gz YXHGITZFZRLIEK-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000655827760 414464409 /nfs/dbraw/zinc/46/44/09/414464409.db2.gz ZPJNBUSVHSLXEK-XBXGTLAGSA-N 2 0 252.427 2.795 20 0 CFADRP [NH3+]CC1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000662233363 414466429 /nfs/dbraw/zinc/46/64/29/414466429.db2.gz DOYGDKKZZDPEHN-INIZCTEOSA-N 2 0 258.409 2.777 20 0 CFADRP [NH3+]C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000662239449 414469678 /nfs/dbraw/zinc/46/96/78/414469678.db2.gz CHKQXIFGCYVTJL-GDBMZVCRSA-N 2 0 258.409 2.993 20 0 CFADRP C[C@H]1C[N@H+](CCc2nsc3ccccc32)CC[C@H]1[NH3+] ZINC000662242512 414470689 /nfs/dbraw/zinc/47/06/89/414470689.db2.gz ALIXXZYGBSSWMI-WCQYABFASA-N 2 0 275.421 2.508 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000658352563 414397315 /nfs/dbraw/zinc/39/73/15/414397315.db2.gz IHPZGAGALAIVKJ-SWLSCSKDSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000655734258 414398664 /nfs/dbraw/zinc/39/86/64/414398664.db2.gz DBAQKSWXUJHRBI-XSCHDIRWSA-N 2 0 270.486 2.981 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658357085 414400061 /nfs/dbraw/zinc/40/00/61/414400061.db2.gz QSGRMZVPHCNGOJ-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCOC1 ZINC000658355097 414400154 /nfs/dbraw/zinc/40/01/54/414400154.db2.gz HFLMNCMELYJHIA-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@H]1CCOC1 ZINC000658355094 414400821 /nfs/dbraw/zinc/40/08/21/414400821.db2.gz HFLMNCMELYJHIA-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354657 414400918 /nfs/dbraw/zinc/40/09/18/414400918.db2.gz FGRZJGUNWMQFET-CQSZACIVSA-N 2 0 288.439 2.558 20 0 CFADRP C[N@@H+](Cc1ccc2ccccc2c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248440 414475806 /nfs/dbraw/zinc/47/58/06/414475806.db2.gz BSYZHBAXPJSVFK-GOSISDBHSA-N 2 0 296.414 2.793 20 0 CFADRP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253099 414476161 /nfs/dbraw/zinc/47/61/61/414476161.db2.gz VGFYXSLGUUKAAT-INIZCTEOSA-N 2 0 292.398 2.559 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000655848763 414476413 /nfs/dbraw/zinc/47/64/13/414476413.db2.gz KDDGWEUNQQIOFA-PMPSAXMXSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253071 414476523 /nfs/dbraw/zinc/47/65/23/414476523.db2.gz UMENBOYSSZEPGB-DLBZAZTESA-N 2 0 288.435 2.981 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccncc1 ZINC000655849002 414477640 /nfs/dbraw/zinc/47/76/40/414477640.db2.gz ODUZXXOSZMCSTN-IMJJTQAJSA-N 2 0 259.397 2.749 20 0 CFADRP CC(C)(C)[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254557 414479374 /nfs/dbraw/zinc/47/93/74/414479374.db2.gz JPCHLRMGYIQNHO-GJZGRUSLSA-N 2 0 280.456 2.656 20 0 CFADRP c1ccc(COCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000662272010 414488441 /nfs/dbraw/zinc/48/84/41/414488441.db2.gz BCMLZNUJARAYMP-ZWKOTPCHSA-N 2 0 288.435 2.525 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000662272535 414488599 /nfs/dbraw/zinc/48/85/99/414488599.db2.gz FYCKIUJIVOHFLL-CVEARBPZSA-N 2 0 294.483 2.890 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000662277071 414492364 /nfs/dbraw/zinc/49/23/64/414492364.db2.gz QSLYQRJQVJQABJ-FGTMMUONSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662280787 414493658 /nfs/dbraw/zinc/49/36/58/414493658.db2.gz FTVRHSMPMGAESB-JKSUJKDBSA-N 2 0 288.435 2.884 20 0 CFADRP COc1ccc(C(C)C)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000655936974 414494051 /nfs/dbraw/zinc/49/40/51/414494051.db2.gz RLKSPYYRFARESQ-ZDUSSCGKSA-N 2 0 262.397 2.599 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662282995 414494228 /nfs/dbraw/zinc/49/42/28/414494228.db2.gz YZGCIMZVUALRCU-HOTGVXAUSA-N 2 0 266.429 2.561 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCc2noc3ccccc32)C[C@@H]1C[NH3+] ZINC000655939953 414494762 /nfs/dbraw/zinc/49/47/62/414494762.db2.gz NDFCELAGFGUPAA-MCIONIFRSA-N 2 0 287.407 2.676 20 0 CFADRP C[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000655939439 414494823 /nfs/dbraw/zinc/49/48/23/414494823.db2.gz GYZRDJKXSULYPV-CHWSQXEVSA-N 2 0 282.378 2.814 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541377 287283553 /nfs/dbraw/zinc/28/35/53/287283553.db2.gz XEBLBOYJLOJNMO-OAGGEKHMSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1cc(F)ccc1F ZINC000662281749 414495626 /nfs/dbraw/zinc/49/56/26/414495626.db2.gz LPUYLQVZVSWMTP-IUODEOHRSA-N 2 0 296.361 2.527 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662283910 414495664 /nfs/dbraw/zinc/49/56/64/414495664.db2.gz RJSUYBDHLZNXMX-LPWJVIDDSA-N 2 0 262.388 2.973 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCc1c(F)cccc1F ZINC000655941106 414495665 /nfs/dbraw/zinc/49/56/65/414495665.db2.gz MHEITYRCVWTTCO-HNNXBMFYSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cc(C3CC3)no1)CC[NH2+]CC2 ZINC000662282407 414495733 /nfs/dbraw/zinc/49/57/33/414495733.db2.gz HLFWQMQSVYRAGQ-GFCCVEGCSA-N 2 0 275.396 2.516 20 0 CFADRP COCC[NH2+]C1CC[NH+](C[C@H]2CCCCC2(C)C)CC1 ZINC000662283561 414495766 /nfs/dbraw/zinc/49/57/66/414495766.db2.gz AJTKTGHKGNWITR-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3c(F)cccc3F)C[C@H]21 ZINC000655938646 414495891 /nfs/dbraw/zinc/49/58/91/414495891.db2.gz ZZGCQCGKJNOOFN-DXCKQFNASA-N 2 0 294.389 2.957 20 0 CFADRP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662285184 414497165 /nfs/dbraw/zinc/49/71/65/414497165.db2.gz ZBZLRASFJUEHOS-XHSDSOJGSA-N 2 0 266.429 2.704 20 0 CFADRP CO[C@H](CN1CCc2ccccc2[C@@H]1C[NH3+])C1CCCC1 ZINC000662286119 414497756 /nfs/dbraw/zinc/49/77/56/414497756.db2.gz OFDIHZNFOZYXAG-ZWKOTPCHSA-N 2 0 288.435 2.750 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292614 414497838 /nfs/dbraw/zinc/49/78/38/414497838.db2.gz GAJHCGOXNXWICT-HOCLYGCPSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H](c1ccncc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293971 414498094 /nfs/dbraw/zinc/49/80/94/414498094.db2.gz VPHYJEYGPGOMKN-WMLDXEAASA-N 2 0 273.424 2.854 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319062 414504826 /nfs/dbraw/zinc/50/48/26/414504826.db2.gz JYOGWPFGXFSWST-GOSISDBHSA-N 2 0 290.451 2.846 20 0 CFADRP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@H]2CC2CCC2)n1 ZINC000662319440 414504886 /nfs/dbraw/zinc/50/48/86/414504886.db2.gz NGCKYDGKXZPTNJ-ZDUSSCGKSA-N 2 0 292.427 2.808 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320272 414505537 /nfs/dbraw/zinc/50/55/37/414505537.db2.gz SOYGFGSNIGXPDG-DOTOQJQBSA-N 2 0 276.424 2.790 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000662317966 414505969 /nfs/dbraw/zinc/50/59/69/414505969.db2.gz VANZYWMAESLRLX-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](C2CCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662316149 414506314 /nfs/dbraw/zinc/50/63/14/414506314.db2.gz IYUBINZHTWYCLH-GOEBONIOSA-N 2 0 250.430 2.888 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CCO1 ZINC000662323949 414506715 /nfs/dbraw/zinc/50/67/15/414506715.db2.gz QPHJGUBIMZYTDF-IAGOWNOFSA-N 2 0 280.456 2.918 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662325384 414506976 /nfs/dbraw/zinc/50/69/76/414506976.db2.gz MMRZTMPUHHJEKY-IKGGRYGDSA-N 2 0 282.472 2.855 20 0 CFADRP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CC1(C)C ZINC000662331600 414509466 /nfs/dbraw/zinc/50/94/66/414509466.db2.gz OBGLLMCGZDKMKV-MRXNPFEDSA-N 2 0 258.409 2.810 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000656193107 414529747 /nfs/dbraw/zinc/52/97/47/414529747.db2.gz PBYKDPOJACUZTG-CABCVRRESA-N 2 0 250.361 2.618 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656197739 414532145 /nfs/dbraw/zinc/53/21/45/414532145.db2.gz GARQHLXTTPCKHK-LSDHHAIUSA-N 2 0 276.424 2.832 20 0 CFADRP COc1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC000656196052 414532203 /nfs/dbraw/zinc/53/22/03/414532203.db2.gz WZTCJMADWZGMNO-KBPBESRZSA-N 2 0 287.407 2.579 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)C1 ZINC000656198495 414533924 /nfs/dbraw/zinc/53/39/24/414533924.db2.gz ZFCQWNBVSZELSQ-SJORKVTESA-N 2 0 288.435 2.985 20 0 CFADRP CO[C@H](C[NH+]1CCC(CC[NH+](C)C)CC1)C1CCCC1 ZINC000659853347 414588968 /nfs/dbraw/zinc/58/89/68/414588968.db2.gz SYYLBJWLWRXSLM-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3COC(C)(C)C3)C2)CC1 ZINC000659864262 414594962 /nfs/dbraw/zinc/59/49/62/414594962.db2.gz LAEVQMSUHBZRIQ-DLBZAZTESA-N 2 0 294.483 2.998 20 0 CFADRP CO[C@@H](C[N@H+](C)C1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000659866800 414596897 /nfs/dbraw/zinc/59/68/97/414596897.db2.gz JCZDNMKJVODDHV-INIZCTEOSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659877089 414602388 /nfs/dbraw/zinc/60/23/88/414602388.db2.gz PRIGYGSNVXIODS-HNNXBMFYSA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CCCCC2)C1 ZINC000659920251 414615144 /nfs/dbraw/zinc/61/51/44/414615144.db2.gz JFBCKPINIHZEJR-INIZCTEOSA-N 2 0 282.472 2.734 20 0 CFADRP CCc1ccc2[nH+]ccc(N(C)CC(C)(C)[NH3+])c2c1 ZINC000656608619 414616189 /nfs/dbraw/zinc/61/61/89/414616189.db2.gz IZVOMWNZVNXSCV-UHFFFAOYSA-N 2 0 257.381 2.971 20 0 CFADRP C[C@H](CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[NH+](C)C ZINC000662634158 414582327 /nfs/dbraw/zinc/58/23/27/414582327.db2.gz QQMINNHVQYZHLG-GDBMZVCRSA-N 2 0 297.487 2.521 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC2CCC2)C1 ZINC000659980065 414639631 /nfs/dbraw/zinc/63/96/31/414639631.db2.gz QBBUEVLOCWEKCJ-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)(C)CO ZINC000662931610 414636539 /nfs/dbraw/zinc/63/65/39/414636539.db2.gz NEWQSVGGDBIGNV-UHFFFAOYSA-N 2 0 290.451 2.875 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH2+]CC1 ZINC000038041093 174041993 /nfs/dbraw/zinc/04/19/93/174041993.db2.gz HFABYORHTXQRDQ-LLVKDONJSA-N 2 0 297.240 2.722 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCC1 ZINC000659956848 414631768 /nfs/dbraw/zinc/63/17/68/414631768.db2.gz NQPWSELSYRUMQQ-SJLPKXTDSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC000660010905 414649493 /nfs/dbraw/zinc/64/94/93/414649493.db2.gz MORCLZVVPHVIMH-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCc3ccccc3)CC[C@@H]21 ZINC000660010650 414649535 /nfs/dbraw/zinc/64/95/35/414649535.db2.gz KQCQHWHYMXBLAZ-ROUUACIJSA-N 2 0 288.435 2.619 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000417358862 287288035 /nfs/dbraw/zinc/28/80/35/287288035.db2.gz UTKRXZBZQDNAHF-WBVHZDCISA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659994933 414645494 /nfs/dbraw/zinc/64/54/94/414645494.db2.gz PWTHSABCINCTOH-TVFCKZIOSA-N 2 0 293.499 2.523 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000660065043 414657265 /nfs/dbraw/zinc/65/72/65/414657265.db2.gz ZUGRREUGDAUEHE-QLFBSQMISA-N 2 0 250.430 2.885 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000660083554 414660297 /nfs/dbraw/zinc/66/02/97/414660297.db2.gz UQUAVWDXUNLLKM-BDXSIMOUSA-N 2 0 295.515 2.626 20 0 CFADRP CC(C)=CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151259 414671264 /nfs/dbraw/zinc/67/12/64/414671264.db2.gz QTDDTKPNEPTOQS-UHFFFAOYSA-N 2 0 293.499 2.833 20 0 CFADRP CC(C)c1cccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000663316012 414671668 /nfs/dbraw/zinc/67/16/68/414671668.db2.gz RTLGCTREEBRWPY-MRXNPFEDSA-N 2 0 289.467 2.536 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040621085 174355152 /nfs/dbraw/zinc/35/51/52/174355152.db2.gz VJMSJSPEHNQFNJ-ZDUSSCGKSA-N 2 0 252.427 2.876 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000040746911 174392213 /nfs/dbraw/zinc/39/22/13/174392213.db2.gz KKGDHIWPGNRJRX-SJPCQFCGSA-N 2 0 288.435 2.897 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC3(CCC[N@@H+]3C)CC2)C1 ZINC000660167068 414674302 /nfs/dbraw/zinc/67/43/02/414674302.db2.gz LNUWEWOJYKWKHH-IRXDYDNUSA-N 2 0 293.499 2.525 20 0 CFADRP c1csc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000663344114 414676286 /nfs/dbraw/zinc/67/62/86/414676286.db2.gz OKCWBMKREGKIIB-UHFFFAOYSA-N 2 0 298.415 2.947 20 0 CFADRP COCC1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343653 414676825 /nfs/dbraw/zinc/67/68/25/414676825.db2.gz AIEZXZKRXGQEBI-LXPRWKDFSA-N 2 0 294.483 2.903 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000663343820 414677195 /nfs/dbraw/zinc/67/71/95/414677195.db2.gz FZXLDCYETPMQQP-BRWVUGGUSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044494586 175181781 /nfs/dbraw/zinc/18/17/81/175181781.db2.gz JRGBLLIGVNCRRV-KBPBESRZSA-N 2 0 266.433 2.581 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000044515820 175190097 /nfs/dbraw/zinc/19/00/97/175190097.db2.gz KJOGUYXUWYMXMI-GFCCVEGCSA-N 2 0 250.361 2.818 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c(F)c1 ZINC000044516611 175190395 /nfs/dbraw/zinc/19/03/95/175190395.db2.gz PGIZMLMUNVOIFE-LBPRGKRZSA-N 2 0 280.387 2.827 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000044516340 175190415 /nfs/dbraw/zinc/19/04/15/175190415.db2.gz BOWWJLGJUKLEPT-UHFFFAOYSA-N 2 0 258.409 2.864 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044532821 175195606 /nfs/dbraw/zinc/19/56/06/175195606.db2.gz SBHIMVNAMYLHRO-HUUCEWRRSA-N 2 0 276.424 2.996 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000044534167 175197210 /nfs/dbraw/zinc/19/72/10/175197210.db2.gz HULYHLOLIOGDCI-OLZOCXBDSA-N 2 0 280.387 2.827 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044535057 175198704 /nfs/dbraw/zinc/19/87/04/175198704.db2.gz XELJORFIJSYZHZ-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349037021 287306425 /nfs/dbraw/zinc/30/64/25/287306425.db2.gz QOAJGUVUPORHAZ-SJORKVTESA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698583 287311042 /nfs/dbraw/zinc/31/10/42/287311042.db2.gz KNLZAMMWLCDEKN-YHOLWWCESA-N 3 0 293.499 2.889 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000353506869 287311214 /nfs/dbraw/zinc/31/12/14/287311214.db2.gz ADXICWGTQXXCNV-UWWQBHOKSA-N 2 0 294.483 2.638 20 0 CFADRP c1cc2c(cccc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[nH]1 ZINC000070938878 176013032 /nfs/dbraw/zinc/01/30/32/176013032.db2.gz QCPRHMUXYJONEZ-ZDUSSCGKSA-N 2 0 269.392 2.742 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422766166 287344879 /nfs/dbraw/zinc/34/48/79/287344879.db2.gz QUEXDPQUPIDLLT-BZUAXINKSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174522 299000651 /nfs/dbraw/zinc/00/06/51/299000651.db2.gz CHLXYGRZRQWNRC-RRFJBIMHSA-N 2 0 282.472 2.935 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000414783784 287394336 /nfs/dbraw/zinc/39/43/36/287394336.db2.gz ZYBIPLAMDSMPPC-SRABZTEZSA-N 2 0 280.456 2.641 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2COC(C)(C)C2)ccc1F ZINC000417927643 227200945 /nfs/dbraw/zinc/20/09/45/227200945.db2.gz MFJZGFPLTXZFAV-CQSZACIVSA-N 2 0 280.387 2.544 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536376 292630133 /nfs/dbraw/zinc/63/01/33/292630133.db2.gz HOPALBAVVCDJET-OAHLLOKOSA-N 2 0 258.409 2.825 20 0 CFADRP CC1(C)C(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000401046643 420504213 /nfs/dbraw/zinc/50/42/13/420504213.db2.gz WEWPHDFPOPICDN-FRRDWIJNSA-N 2 0 250.430 2.646 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916238 420501457 /nfs/dbraw/zinc/50/14/57/420501457.db2.gz RHFUFPLRPSDZSE-WBVHZDCISA-N 2 0 274.408 2.659 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000400961115 420502750 /nfs/dbraw/zinc/50/27/50/420502750.db2.gz GAQYKTZKBUXWNE-JHJVBQTASA-N 2 0 264.438 2.788 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nccs1 ZINC000400929551 420502796 /nfs/dbraw/zinc/50/27/96/420502796.db2.gz IJGLNWYNFIBYJJ-RVMXOQNASA-N 2 0 265.426 2.572 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400977364 420502874 /nfs/dbraw/zinc/50/28/74/420502874.db2.gz SFSZNAYWMZBVTB-SDDRHHMPSA-N 2 0 284.856 2.922 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000222976072 270254736 /nfs/dbraw/zinc/25/47/36/270254736.db2.gz XYKWNKSXXIEBPS-MVWJERBFSA-N 2 0 253.415 2.680 20 0 CFADRP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312865490 260214519 /nfs/dbraw/zinc/21/45/19/260214519.db2.gz SNMLABWOHKLQNR-RWMBFGLXSA-N 2 0 280.362 2.957 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000516914477 260267763 /nfs/dbraw/zinc/26/77/63/260267763.db2.gz XBIBBEPNRGIWCI-ZNMIVQPWSA-N 2 0 274.408 2.530 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000084610510 260365614 /nfs/dbraw/zinc/36/56/14/260365614.db2.gz GWDDTSDVAHQBJU-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000234809291 522667732 /nfs/dbraw/zinc/66/77/32/522667732.db2.gz FLDZKPXHRJRFCT-JKSUJKDBSA-N 2 0 282.403 2.866 20 0 CFADRP c1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390172686 262147042 /nfs/dbraw/zinc/14/70/42/262147042.db2.gz HIEHSWXVKCPBII-KSZLIROESA-N 2 0 288.435 2.714 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])N(C)Cc1ccccc1 ZINC000390563305 262218438 /nfs/dbraw/zinc/21/84/38/262218438.db2.gz KZJMWDNOHGZJOC-BPQIPLTHSA-N 2 0 289.467 2.614 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000391119852 262382116 /nfs/dbraw/zinc/38/21/16/262382116.db2.gz ILGWEFBMBYEMQH-IXDOHACOSA-N 2 0 273.424 2.790 20 0 CFADRP Cc1ncsc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000391212294 262390242 /nfs/dbraw/zinc/39/02/42/262390242.db2.gz QHGPHIGPHZWLHG-QLFBSQMISA-N 2 0 293.480 2.894 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000314652557 265173223 /nfs/dbraw/zinc/17/32/23/265173223.db2.gz GSATWPUCVVBSCB-IRXDYDNUSA-N 2 0 288.435 2.614 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491312 265181922 /nfs/dbraw/zinc/18/19/22/265181922.db2.gz UGODYUURMNRUON-YESZJQIVSA-N 2 0 282.472 2.950 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257668075 270274018 /nfs/dbraw/zinc/27/40/18/270274018.db2.gz HTXYXKGKSDQLIZ-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000258855761 270274347 /nfs/dbraw/zinc/27/43/47/270274347.db2.gz FININZANFRAPAV-KGLIPLIRSA-N 2 0 250.361 2.573 20 0 CFADRP c1sc2ccccc2c1CC[NH2+]C1CC[NH2+]CC1 ZINC000258858641 270274954 /nfs/dbraw/zinc/27/49/54/270274954.db2.gz FIRRACHQUQYHKC-UHFFFAOYSA-N 2 0 260.406 2.785 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237146345 270264829 /nfs/dbraw/zinc/26/48/29/270264829.db2.gz QYUVLSNQKZDYLU-GUYCJALGSA-N 2 0 297.402 2.681 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000315164321 270291669 /nfs/dbraw/zinc/29/16/69/270291669.db2.gz YYXSONRFWUSKFK-SJORKVTESA-N 2 0 288.435 2.756 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCC1 ZINC000322597215 270296360 /nfs/dbraw/zinc/29/63/60/270296360.db2.gz XLIXNGOMUZLMPN-ZWKOTPCHSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393420808 270307619 /nfs/dbraw/zinc/30/76/19/270307619.db2.gz ILFHPWWFEQFLNB-HUUCEWRRSA-N 2 0 262.397 2.520 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)C(C)(C)O ZINC000393674341 270308363 /nfs/dbraw/zinc/30/83/63/270308363.db2.gz SUEZTNKCWGIRJW-ZIAGYGMSSA-N 2 0 270.461 2.684 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1C ZINC000397332940 270317130 /nfs/dbraw/zinc/31/71/30/270317130.db2.gz XJMQCKZMHDGIQR-WHOFXGATSA-N 2 0 291.439 2.512 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2F)C[C@H]1C[NH3+] ZINC000397334175 270317140 /nfs/dbraw/zinc/31/71/40/270317140.db2.gz XUGRWZZOLNSYMC-MBNYWOFBSA-N 2 0 250.361 2.631 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1csc(Br)c1 ZINC000397310505 270317490 /nfs/dbraw/zinc/31/74/90/270317490.db2.gz OOSGEMSZSTTYER-QMMMGPOBSA-N 2 0 277.231 2.728 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(OC)c1 ZINC000397321247 270317549 /nfs/dbraw/zinc/31/75/49/270317549.db2.gz NCONJJFRCKTTIZ-NFAWXSAZSA-N 2 0 292.423 2.509 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C[NH3+] ZINC000397464137 270318530 /nfs/dbraw/zinc/31/85/30/270318530.db2.gz SIABZTVAJGEACY-BFYDXBDKSA-N 2 0 298.434 2.678 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000398008174 270321073 /nfs/dbraw/zinc/32/10/73/270321073.db2.gz ADKQJGZIBINTFJ-BGTYHANMSA-N 2 0 287.451 2.509 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000422931312 270332458 /nfs/dbraw/zinc/33/24/58/270332458.db2.gz BNDZZKLWIQIHDK-IAQYHMDHSA-N 2 0 250.361 2.920 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1C[C@H]1C1CCC1 ZINC000424377050 270333299 /nfs/dbraw/zinc/33/32/99/270333299.db2.gz MANJVQWYBCQYPO-QEOTZNIISA-N 2 0 262.441 2.933 20 0 CFADRP C[N@@H+]1CC[C@@H](NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccccc1 ZINC000459447053 270338424 /nfs/dbraw/zinc/33/84/24/270338424.db2.gz FTAXECTUMINWON-RTBURBONSA-N 2 0 299.462 2.648 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000514612199 270347672 /nfs/dbraw/zinc/34/76/72/270347672.db2.gz LXZQIOLMQBQLJT-KRWDZBQOSA-N 2 0 290.451 2.748 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)[C@H](C)C2 ZINC000514930741 270358719 /nfs/dbraw/zinc/35/87/19/270358719.db2.gz PGOXLBVJEDSBCU-DYVFJYSZSA-N 2 0 258.409 2.818 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216131 270771706 /nfs/dbraw/zinc/77/17/06/270771706.db2.gz MUJJSMSMTDADKS-BFHYXJOUSA-N 2 0 254.393 2.779 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423197668 273960496 /nfs/dbraw/zinc/96/04/96/273960496.db2.gz ALRTWBYYJYBELE-ZDUSSCGKSA-N 2 0 283.213 2.636 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCc3sccc32)CC[NH2+]CC1 ZINC000423386269 274017620 /nfs/dbraw/zinc/01/76/20/274017620.db2.gz JIFYJRJULIMWBM-AWEZNQCLSA-N 2 0 294.464 2.731 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000414217820 274086334 /nfs/dbraw/zinc/08/63/34/274086334.db2.gz CVPLOBYGSIEDTD-ATLSCFEFSA-N 2 0 286.419 2.515 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349508 274101483 /nfs/dbraw/zinc/10/14/83/274101483.db2.gz VVCLBNOTMHXIDZ-WBVHZDCISA-N 2 0 292.398 2.801 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000414884354 274209404 /nfs/dbraw/zinc/20/94/04/274209404.db2.gz NSVPUHRHVFLFER-QMMMGPOBSA-N 2 0 264.266 2.671 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1-n1cccn1 ZINC000422882158 274257154 /nfs/dbraw/zinc/25/71/54/274257154.db2.gz AIIPZVQUPUXRGZ-HUUCEWRRSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000338779128 274283396 /nfs/dbraw/zinc/28/33/96/274283396.db2.gz SUAIFEXAAMTNNP-JRBZFYFNSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000153845787 274339863 /nfs/dbraw/zinc/33/98/63/274339863.db2.gz JKOISHNXHXVFMT-KYHPRHEASA-N 2 0 287.451 2.584 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2sc(Cl)cc21)[C@@H]1CC[NH2+]C1 ZINC000423121588 274530175 /nfs/dbraw/zinc/53/01/75/274530175.db2.gz JCOYYHSZKNMWMA-NGZCFLSTSA-N 2 0 270.829 2.976 20 0 CFADRP Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000301334006 274719006 /nfs/dbraw/zinc/71/90/06/274719006.db2.gz BHDBWIMIULPROY-AWEZNQCLSA-N 2 0 299.418 2.923 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)CC3 ZINC000414804880 274767437 /nfs/dbraw/zinc/76/74/37/274767437.db2.gz YAJBHJUIMLDLNM-CZUORRHYSA-N 2 0 285.435 2.907 20 0 CFADRP Oc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423284972 275061242 /nfs/dbraw/zinc/06/12/42/275061242.db2.gz ZCEVLHDBVCVBAT-CXAGYDPISA-N 2 0 274.408 2.749 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423365779 275065538 /nfs/dbraw/zinc/06/55/38/275065538.db2.gz PUBBPQBOLCYSMC-DGCLKSJQSA-N 2 0 250.411 2.857 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000252673573 275070010 /nfs/dbraw/zinc/07/00/10/275070010.db2.gz KUAZAQSAAASKHH-KSZLIROESA-N 2 0 270.420 2.760 20 0 CFADRP Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000334848140 275370951 /nfs/dbraw/zinc/37/09/51/275370951.db2.gz IHRWZKVWVZDUOJ-CQSZACIVSA-N 2 0 295.224 2.778 20 0 CFADRP C([C@@H]1CCSC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336109472 275397243 /nfs/dbraw/zinc/39/72/43/275397243.db2.gz GZFNBTJVOZIWPG-LSDHHAIUSA-N 2 0 268.470 2.690 20 0 CFADRP C1C[C@@H]([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)CO1 ZINC000423536749 275415051 /nfs/dbraw/zinc/41/50/51/275415051.db2.gz AUYAXOVXTUWSCT-BLONOQDTSA-N 2 0 292.467 2.559 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422712968 275663736 /nfs/dbraw/zinc/66/37/36/275663736.db2.gz JEIBRVOHFGASIU-STQMWFEESA-N 2 0 250.386 2.689 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422811942 275701264 /nfs/dbraw/zinc/70/12/64/275701264.db2.gz VLJVWMKFWSTMJV-LRDDRELGSA-N 2 0 264.388 2.590 20 0 CFADRP C1C[C@@H]([C@H]2CCCC[C@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000423536785 275736863 /nfs/dbraw/zinc/73/68/63/275736863.db2.gz BABTWPZGYPXJBM-OOOWVJFSSA-N 2 0 292.467 2.559 20 0 CFADRP CC(C)c1ccc([C@H](N)C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000414845135 275749498 /nfs/dbraw/zinc/74/94/98/275749498.db2.gz LRMBUTYMZRYAAR-OFLPRAFFSA-N 2 0 275.440 2.669 20 0 CFADRP CC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000423014769 275897135 /nfs/dbraw/zinc/89/71/35/275897135.db2.gz JIOUIHZFIHJEBU-HOTGVXAUSA-N 2 0 258.409 2.509 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)CCO1 ZINC000070347231 276033438 /nfs/dbraw/zinc/03/34/38/276033438.db2.gz HILAYLKXAOUSNP-HZPDHXFCSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)CS1 ZINC000488432549 276033610 /nfs/dbraw/zinc/03/36/10/276033610.db2.gz PQEMFBVKAZMQIS-QLFBSQMISA-N 2 0 270.486 2.838 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000361067325 276075943 /nfs/dbraw/zinc/07/59/43/276075943.db2.gz IFODKDOYOIOSDK-CRAIPNDOSA-N 3 0 289.467 2.568 20 0 CFADRP CC[N@H+](C)Cc1cccc(CN[C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422743503 276075999 /nfs/dbraw/zinc/07/59/99/276075999.db2.gz RPMLTYNJWOAAQB-CRAIPNDOSA-N 2 0 289.467 2.759 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425547110 276096155 /nfs/dbraw/zinc/09/61/55/276096155.db2.gz FKWVDEYYEPFAKR-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000050267315 276098039 /nfs/dbraw/zinc/09/80/39/276098039.db2.gz LBDDRFAEGBYBJJ-LSDHHAIUSA-N 2 0 254.418 2.779 20 0 CFADRP CC1(C)CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423436357 276107976 /nfs/dbraw/zinc/10/79/76/276107976.db2.gz LTKFDYGNOCUELD-QLFBSQMISA-N 2 0 250.430 2.933 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)C[C@H]1CCOc2ccccc21 ZINC000377694881 276123105 /nfs/dbraw/zinc/12/31/05/276123105.db2.gz LPLBMRKIWXRUSL-OAHLLOKOSA-N 2 0 276.424 2.826 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000453112791 276148752 /nfs/dbraw/zinc/14/87/52/276148752.db2.gz CXPBBQNUKONEOQ-UKRRQHHQSA-N 2 0 276.428 2.601 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC=C(C)CC2)CC1 ZINC000353904041 276203459 /nfs/dbraw/zinc/20/34/59/276203459.db2.gz XHMYTRHUILMZER-UHFFFAOYSA-N 2 0 299.462 2.981 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081635333 276221867 /nfs/dbraw/zinc/22/18/67/276221867.db2.gz VMOUNHDBNYHNOK-VNQPRFMTSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)C)[C@H](C)C1 ZINC000246478458 276229144 /nfs/dbraw/zinc/22/91/44/276229144.db2.gz RBCCUISPCZNWQV-QZWWFDLISA-N 2 0 282.472 2.758 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000422713967 276241239 /nfs/dbraw/zinc/24/12/39/276241239.db2.gz QJAMUWOGXJRUEU-QLFBSQMISA-N 2 0 256.434 2.689 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000451599941 276286251 /nfs/dbraw/zinc/28/62/51/276286251.db2.gz PXBPTRWKOCAXDM-CVEARBPZSA-N 2 0 296.455 2.574 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CCC1 ZINC000453106554 276286770 /nfs/dbraw/zinc/28/67/70/276286770.db2.gz GYKFOLFZDQDQOE-SJORKVTESA-N 2 0 282.472 2.638 20 0 CFADRP CCOC1CC2(C1)CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000367585984 276311790 /nfs/dbraw/zinc/31/17/90/276311790.db2.gz GAJCEYSTYGZCOU-GTPINHCMSA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@H+](CCNC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000155816543 276348614 /nfs/dbraw/zinc/34/86/14/276348614.db2.gz CANAYJYFGJIZHC-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOC(C)(C)C)C[C@H]1C ZINC000336704012 276399253 /nfs/dbraw/zinc/39/92/53/276399253.db2.gz HFPXPGJCFSKQHN-KGLIPLIRSA-N 2 0 256.434 2.606 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000430720931 276473800 /nfs/dbraw/zinc/47/38/00/276473800.db2.gz NVWUZVZEHYBUQQ-XWTMOSNGSA-N 2 0 296.499 2.884 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000354310484 276516198 /nfs/dbraw/zinc/51/61/98/276516198.db2.gz CQHXPTSFUUCQMS-BRSBDYLESA-N 2 0 296.499 2.884 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CCO1 ZINC000423541085 276520749 /nfs/dbraw/zinc/52/07/49/276520749.db2.gz FDHVUQDOEAKYIY-KLHDSHLOSA-N 2 0 268.445 2.844 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[C@H]1C ZINC000414087185 276583743 /nfs/dbraw/zinc/58/37/43/276583743.db2.gz IEEYOOKOMHVBTP-XNJHUCFUSA-N 2 0 294.483 2.779 20 0 CFADRP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000402549343 276626855 /nfs/dbraw/zinc/62/68/55/276626855.db2.gz JKCDFJHXPZYYJJ-GARJFASQSA-N 2 0 252.324 2.695 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269880756 276783844 /nfs/dbraw/zinc/78/38/44/276783844.db2.gz RYSJZNVVMWQKKY-CQSZACIVSA-N 2 0 268.351 2.884 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COC1CCCC1 ZINC000422836071 276811504 /nfs/dbraw/zinc/81/15/04/276811504.db2.gz ZNLMUHDYLICFIQ-ZACQAIPSSA-N 2 0 280.456 2.846 20 0 CFADRP C[NH2+]CCC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000435879909 277022421 /nfs/dbraw/zinc/02/24/21/277022421.db2.gz MHSDPJCQEVXGOO-SFHVURJKSA-N 2 0 290.451 2.628 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000126160878 277026632 /nfs/dbraw/zinc/02/66/32/277026632.db2.gz USDLJLDEYAKIHW-MRXNPFEDSA-N 2 0 262.372 2.744 20 0 CFADRP C[NH2+]Cc1cccc(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414868935 277034003 /nfs/dbraw/zinc/03/40/03/277034003.db2.gz QJMUKDAIMCMKMW-BRWVUGGUSA-N 2 0 273.424 2.739 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000161524746 277060282 /nfs/dbraw/zinc/06/02/82/277060282.db2.gz NCELOFVYMUIJSW-OAHLLOKOSA-N 2 0 280.456 2.894 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](C2CCCC2)C1 ZINC000420967432 277061268 /nfs/dbraw/zinc/06/12/68/277061268.db2.gz YRCDQCKMJVOJEQ-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000459775662 277073512 /nfs/dbraw/zinc/07/35/12/277073512.db2.gz JOSKDNRUYMJCTD-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423264106 277082903 /nfs/dbraw/zinc/08/29/03/277082903.db2.gz YBOUHDWRQITPNN-HIFRSBDPSA-N 2 0 289.423 2.685 20 0 CFADRP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449504641 277084125 /nfs/dbraw/zinc/08/41/25/277084125.db2.gz AFSMQJBRPCHTFV-CABCVRRESA-N 2 0 296.455 2.571 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncc2)[C@H]1c1ccccc1 ZINC000369477499 277134913 /nfs/dbraw/zinc/13/49/13/277134913.db2.gz AKMNGTURBKFSHS-ZWKOTPCHSA-N 2 0 281.403 2.864 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000187866435 277151389 /nfs/dbraw/zinc/15/13/89/277151389.db2.gz HLMWWJIHOIPSFD-CQSZACIVSA-N 2 0 268.445 2.797 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(CO)CC3(CCC3)C2)CC1 ZINC000433086412 277151527 /nfs/dbraw/zinc/15/15/27/277151527.db2.gz YSXXPAYXPWKJTK-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000453311579 277171868 /nfs/dbraw/zinc/17/18/68/277171868.db2.gz GNAAODZQNLJADU-QZWWFDLISA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)(C)[NH2+]CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000414699717 277172532 /nfs/dbraw/zinc/17/25/32/277172532.db2.gz FGXZPXTXMAAJSZ-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000339044932 277183222 /nfs/dbraw/zinc/18/32/22/277183222.db2.gz QTSAAZWNLAMVAZ-RDJZCZTQSA-N 2 0 292.467 2.894 20 0 CFADRP COC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000378549322 277187315 /nfs/dbraw/zinc/18/73/15/277187315.db2.gz KHHGSHWKFCWLPE-UHFFFAOYSA-N 2 0 266.429 2.552 20 0 CFADRP CC(C)(C)OC1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000352558714 277210067 /nfs/dbraw/zinc/21/00/67/277210067.db2.gz YYTQLNCNTFDAGL-FEWQNLEASA-N 2 0 266.429 2.549 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353317351 277211911 /nfs/dbraw/zinc/21/19/11/277211911.db2.gz WLOHCABCLIPQNC-CYBMUJFWSA-N 2 0 292.414 2.758 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCCC(F)(F)C1 ZINC000423136168 277260010 /nfs/dbraw/zinc/26/00/10/277260010.db2.gz USCZNBGETPBZFB-OLZOCXBDSA-N 2 0 278.387 2.546 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(CC(C)C)CCC1 ZINC000422869874 277260011 /nfs/dbraw/zinc/26/00/11/277260011.db2.gz AWPCJYNSMNZIBH-AWEZNQCLSA-N 2 0 256.434 2.546 20 0 CFADRP C[NH2+]CC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000430972380 277264977 /nfs/dbraw/zinc/26/49/77/277264977.db2.gz SECQNFASCWFFMJ-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000420395715 277267371 /nfs/dbraw/zinc/26/73/71/277267371.db2.gz UMNNALXEIGVSNA-HNNXBMFYSA-N 2 0 250.361 2.744 20 0 CFADRP CO[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000182126410 277276621 /nfs/dbraw/zinc/27/66/21/277276621.db2.gz UPJLIUMMWVBJDG-JKSUJKDBSA-N 2 0 268.445 2.609 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423266110 277282663 /nfs/dbraw/zinc/28/26/63/277282663.db2.gz CUAMSLUKRTUDFT-GUYCJALGSA-N 2 0 288.435 2.834 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000430638885 277283354 /nfs/dbraw/zinc/28/33/54/277283354.db2.gz GLQMLLURQKTARU-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)=CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171306120 277324482 /nfs/dbraw/zinc/32/44/82/277324482.db2.gz KXGOPJKAMYHPJC-HOTGVXAUSA-N 2 0 280.456 2.774 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000364918729 277324929 /nfs/dbraw/zinc/32/49/29/277324929.db2.gz WENIFSIYEJGSDB-IIAWOOMASA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc(Cl)c1 ZINC000358209438 277332123 /nfs/dbraw/zinc/33/21/23/277332123.db2.gz XDKYIQZYCGVRKW-APHBMKBZSA-N 2 0 296.842 2.957 20 0 CFADRP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000361266072 277365729 /nfs/dbraw/zinc/36/57/29/277365729.db2.gz LWAXPEQNCMHDHS-SJORKVTESA-N 2 0 282.472 2.734 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340308093 277397095 /nfs/dbraw/zinc/39/70/95/277397095.db2.gz WSQXUUVQRYGKBO-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000414109347 277397305 /nfs/dbraw/zinc/39/73/05/277397305.db2.gz UXLAYDFWGDNYQS-FPCVCCKLSA-N 2 0 252.446 2.989 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000442744993 277489626 /nfs/dbraw/zinc/48/96/26/277489626.db2.gz IQFPYTTVNDHVTR-XQHKEYJVSA-N 2 0 278.400 2.709 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC[NH+]1CCCCC1 ZINC000093496737 277591905 /nfs/dbraw/zinc/59/19/05/277591905.db2.gz PRXVVLFRLSHQBQ-IRXDYDNUSA-N 2 0 281.488 2.763 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000423093837 277592091 /nfs/dbraw/zinc/59/20/91/277592091.db2.gz IOVSEENXGHOJOE-VYMRPNJYSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)C1CCC(F)(F)CC1 ZINC000423370109 277620783 /nfs/dbraw/zinc/62/07/83/277620783.db2.gz UDTOCVYRQIYYCB-DGCLKSJQSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H]1C ZINC000415004352 277730857 /nfs/dbraw/zinc/73/08/57/277730857.db2.gz HRAWLTVGWRSOKC-DMVVEVTLSA-N 2 0 250.430 2.789 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423116612 277847840 /nfs/dbraw/zinc/84/78/40/277847840.db2.gz QPTUVYCFUBIHKO-GHJWDPDVSA-N 2 0 292.398 2.799 20 0 CFADRP CC(C)[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000178035299 277883673 /nfs/dbraw/zinc/88/36/73/277883673.db2.gz GSFQVCWTEJDWRP-KKUMJFAQSA-N 2 0 256.434 2.510 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422780932 277932076 /nfs/dbraw/zinc/93/20/76/277932076.db2.gz LATKOBRKOPFRSP-YDHLFZDLSA-N 2 0 262.397 2.734 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000346198491 277965128 /nfs/dbraw/zinc/96/51/28/277965128.db2.gz PZNUJOXOBGMBQY-NVXWUHKLSA-N 2 0 280.456 2.797 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423258895 278033029 /nfs/dbraw/zinc/03/30/29/278033029.db2.gz MZXVNZZGSCFTEX-BBRMVZONSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414877951 278089560 /nfs/dbraw/zinc/08/95/60/278089560.db2.gz GQBAWLMTXKJHHX-CQSZACIVSA-N 2 0 286.423 2.823 20 0 CFADRP C[C@@H]1[C@H](NC2CC[NH+](C3CCCCC3)CC2)CCC[N@@H+]1C ZINC000346324113 278103507 /nfs/dbraw/zinc/10/35/07/278103507.db2.gz GNIKZRFSYJICJM-CRAIPNDOSA-N 2 0 293.499 2.856 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423111606 278140510 /nfs/dbraw/zinc/14/05/10/278140510.db2.gz QRLPWQGLCFIJEQ-HUUCEWRRSA-N 2 0 264.438 2.767 20 0 CFADRP CC1(C)CC([NH2+][C@H]2CCCSC2)CC(C)(C)[NH2+]1 ZINC000061571976 278191043 /nfs/dbraw/zinc/19/10/43/278191043.db2.gz AGDHRQJNVNRHQV-NSHDSACASA-N 2 0 256.459 2.781 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423221909 278205195 /nfs/dbraw/zinc/20/51/95/278205195.db2.gz YRDGLTVKEJYKMU-WOSRLPQWSA-N 2 0 289.423 2.684 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422964691 278217911 /nfs/dbraw/zinc/21/79/11/278217911.db2.gz MNMUCQTXBXGKKB-RRFJBIMHSA-N 2 0 279.428 2.522 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000250992135 278220089 /nfs/dbraw/zinc/22/00/89/278220089.db2.gz MKHWNCNKICGUOA-INWMFGNUSA-N 2 0 264.388 2.864 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000423225628 278226475 /nfs/dbraw/zinc/22/64/75/278226475.db2.gz NOWGBJZHEQKEKQ-GXFFZTMASA-N 2 0 268.788 2.881 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CSc2ccccc21 ZINC000422750927 278227458 /nfs/dbraw/zinc/22/74/58/278227458.db2.gz AQJIZJRRIBVCRN-AAEUAGOBSA-N 2 0 250.411 2.941 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2c1cccc2F ZINC000422766518 278227569 /nfs/dbraw/zinc/22/75/69/278227569.db2.gz QEPXEPRSUXTQCU-XHDPSFHLSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423298088 278245511 /nfs/dbraw/zinc/24/55/11/278245511.db2.gz NCPMEYXAMCCYIP-QXEWZRGKSA-N 2 0 256.440 2.858 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCOC1 ZINC000356831799 278257673 /nfs/dbraw/zinc/25/76/73/278257673.db2.gz AZVMAPAMQFBRDG-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423480042 278258948 /nfs/dbraw/zinc/25/89/48/278258948.db2.gz MRMWEUPMEZKKHV-JSGCOSHPSA-N 2 0 256.459 2.640 20 0 CFADRP CC1(C)CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000364853710 278279837 /nfs/dbraw/zinc/27/98/37/278279837.db2.gz GFQDCJOUPBKURG-GJZGRUSLSA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H](C[NH2+]C1CCc2ccccc2CC1)C[NH+](C)C ZINC000453233677 278282790 /nfs/dbraw/zinc/28/27/90/278282790.db2.gz IQNDTPPIDZXWFO-AWEZNQCLSA-N 2 0 260.425 2.721 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2ccccc2OC1)C[NH+]1CCCC1 ZINC000493842896 278285707 /nfs/dbraw/zinc/28/57/07/278285707.db2.gz JHTYLKWQGUOASQ-DOTOQJQBSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000423132809 278315849 /nfs/dbraw/zinc/31/58/49/278315849.db2.gz UYNXSUNXTLMPST-HIFRSBDPSA-N 2 0 264.388 2.817 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1nc3ccccc3n1C)CC[NH2+]CC2 ZINC000335282883 278328080 /nfs/dbraw/zinc/32/80/80/278328080.db2.gz XWUUGVAPUJMZAO-AWEZNQCLSA-N 2 0 298.434 2.537 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000368425791 278337352 /nfs/dbraw/zinc/33/73/52/278337352.db2.gz SOEBUIDHTMVUMV-OWLYRPNTSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422923780 288034619 /nfs/dbraw/zinc/03/46/19/288034619.db2.gz XBGRIGGBFYCORQ-HOTGVXAUSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340473644 278345606 /nfs/dbraw/zinc/34/56/06/278345606.db2.gz JTFDYHBWJOKDGJ-TWMKSMIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000414734835 278369817 /nfs/dbraw/zinc/36/98/17/278369817.db2.gz LGTLNSXXDQLTKU-OAHLLOKOSA-N 2 0 295.858 2.674 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(C)(C)O1 ZINC000178257358 278388037 /nfs/dbraw/zinc/38/80/37/278388037.db2.gz MJQIUKDZPZMQNO-HNNXBMFYSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422706107 278471911 /nfs/dbraw/zinc/47/19/11/278471911.db2.gz DKFWXBXOHIZJJR-LVQVYYBASA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@H](NC[C@H]1CCCC[N@@H+]1CC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422992465 288049142 /nfs/dbraw/zinc/04/91/42/288049142.db2.gz COJVIHVJHGISTF-IKGGRYGDSA-N 2 0 281.488 2.617 20 0 CFADRP CCC1CC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000342684991 278649571 /nfs/dbraw/zinc/64/95/71/278649571.db2.gz CVLZGKSJQUPYHF-WXLSXGNJSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc(CC[NH2+]C2CCC(C[NH3+])CC2)cc(C)c1O ZINC000415112619 278685481 /nfs/dbraw/zinc/68/54/81/278685481.db2.gz VOWDJAIJKABPMH-UHFFFAOYSA-N 2 0 276.424 2.659 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415117607 278752294 /nfs/dbraw/zinc/75/22/94/278752294.db2.gz ZSWPDILMRGMJDG-HZPDHXFCSA-N 2 0 268.445 2.641 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H](O)C(C)C ZINC000423195713 288074533 /nfs/dbraw/zinc/07/45/33/288074533.db2.gz YCWANKMEQVYBQL-JONQDZQNSA-N 2 0 262.397 2.516 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422702618 278782179 /nfs/dbraw/zinc/78/21/79/278782179.db2.gz FLCDOQDVZGVRAV-CVEARBPZSA-N 2 0 269.477 2.619 20 0 CFADRP Cc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)cc1 ZINC000423446687 278858694 /nfs/dbraw/zinc/85/86/94/278858694.db2.gz YVNCBLMJUXQEJQ-TWMKSMIVSA-N 2 0 256.393 2.644 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335516166 278880222 /nfs/dbraw/zinc/88/02/22/278880222.db2.gz IFGVVOLFHXXYSI-ZBFHGGJFSA-N 2 0 274.408 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)CC[NH2+]1 ZINC000423379222 278997598 /nfs/dbraw/zinc/99/75/98/278997598.db2.gz MQOVUEYZDIYLOY-XFJVYGCCSA-N 2 0 262.372 2.933 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000354432457 279026787 /nfs/dbraw/zinc/02/67/87/279026787.db2.gz YPDULVCQFJBYRJ-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000340287196 279036853 /nfs/dbraw/zinc/03/68/53/279036853.db2.gz WPHYKXSCMRSLDR-DLBZAZTESA-N 2 0 281.488 2.523 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048731 279066876 /nfs/dbraw/zinc/06/68/76/279066876.db2.gz INEHRMWPMABDBX-CKUJCDMFSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000358380090 288102429 /nfs/dbraw/zinc/10/24/29/288102429.db2.gz WOJUAXYVNVDXFL-NTZNESFSSA-N 2 0 260.372 2.883 20 0 CFADRP CC[NH+](CC)CCCN1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000365189323 279094099 /nfs/dbraw/zinc/09/40/99/279094099.db2.gz KLKUQSHVKSUVIK-INIZCTEOSA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337381255 279099565 /nfs/dbraw/zinc/09/95/65/279099565.db2.gz DBOZPSMOWOSTCX-OLZOCXBDSA-N 2 0 278.387 2.858 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000050267312 279101307 /nfs/dbraw/zinc/10/13/07/279101307.db2.gz LBDDRFAEGBYBJJ-CABCVRRESA-N 2 0 254.418 2.779 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000131334860 279101318 /nfs/dbraw/zinc/10/13/18/279101318.db2.gz JXBMJYUWCXAMOG-CABCVRRESA-N 2 0 270.461 2.902 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000351654915 279109026 /nfs/dbraw/zinc/10/90/26/279109026.db2.gz HOUJXEILFHYLRY-CVEARBPZSA-N 2 0 270.461 2.761 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000493083439 279110227 /nfs/dbraw/zinc/11/02/27/279110227.db2.gz WPURFAOCECPYHV-HZPDHXFCSA-N 2 0 291.439 2.575 20 0 CFADRP CC(C)C[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000162854487 279112128 /nfs/dbraw/zinc/11/21/28/279112128.db2.gz WKOZJMDEELLOKR-JYJNAYRXSA-N 2 0 270.461 2.900 20 0 CFADRP Cc1nc2c(s1)[C@H]([N@H+](C)CC1CC[NH2+]CC1)CCC2 ZINC000178981310 279118039 /nfs/dbraw/zinc/11/80/39/279118039.db2.gz LONLSWIQVXXIJP-CQSZACIVSA-N 2 0 279.453 2.760 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000331364427 279120204 /nfs/dbraw/zinc/12/02/04/279120204.db2.gz BVEFBJPCROONGQ-NTZNESFSSA-N 2 0 265.426 2.546 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000348398861 279123048 /nfs/dbraw/zinc/12/30/48/279123048.db2.gz USIIIUKQYBSZJU-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(SC)CC2)C1 ZINC000347843915 279135387 /nfs/dbraw/zinc/13/53/87/279135387.db2.gz AKOQVKMXJGZNES-CYBMUJFWSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368292344 279139140 /nfs/dbraw/zinc/13/91/40/279139140.db2.gz TZKPVCKDZVBKBV-ZXFNITATSA-N 2 0 286.419 2.768 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000252445242 288107617 /nfs/dbraw/zinc/10/76/17/288107617.db2.gz UIDCVJWVNQKNDM-KJWYOANISA-N 2 0 272.436 2.862 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCC[NH2+]C1 ZINC000423334391 279162204 /nfs/dbraw/zinc/16/22/04/279162204.db2.gz IIMIPRAGNRMEIX-NVXWUHKLSA-N 2 0 274.408 2.749 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422731077 279165332 /nfs/dbraw/zinc/16/53/32/279165332.db2.gz KTRGUSSWJQNXBO-ZMSDIMECSA-N 2 0 277.456 2.785 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000422833085 279254904 /nfs/dbraw/zinc/25/49/04/279254904.db2.gz YFKFBOLHSFUUOD-OAHLLOKOSA-N 3 0 281.488 2.891 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000422960722 279255580 /nfs/dbraw/zinc/25/55/80/279255580.db2.gz XNWHNZXWSICADQ-ABAIWWIYSA-N 2 0 250.361 2.920 20 0 CFADRP Cc1occc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414394784 279277645 /nfs/dbraw/zinc/27/76/45/279277645.db2.gz PVDFGZPJSFYTDV-OKILXGFUSA-N 2 0 280.412 2.567 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423309780 279289885 /nfs/dbraw/zinc/28/98/85/279289885.db2.gz QRGLOCIGJJRNGW-RNCFNFMXSA-N 2 0 283.213 2.621 20 0 CFADRP Clc1ccc([C@@H]2CC[C@H]([NH2+]CC3C[NH2+]C3)C2)cc1 ZINC000423337496 279292068 /nfs/dbraw/zinc/29/20/68/279292068.db2.gz YJJSWRUFYQRVEA-HIFRSBDPSA-N 2 0 264.800 2.785 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1C[NH2+]CCCO1)CC1CCCCC1 ZINC000415040468 279347720 /nfs/dbraw/zinc/34/77/20/279347720.db2.gz OKFSLUYWKWPUEA-GOEBONIOSA-N 2 0 268.445 2.561 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415109268 279367859 /nfs/dbraw/zinc/36/78/59/279367859.db2.gz QXRDETJNTMAANT-UBDQQSCGSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000423050299 279370692 /nfs/dbraw/zinc/37/06/92/279370692.db2.gz YXAOIGCKUWCEED-MISXGVKJSA-N 2 0 266.360 2.755 20 0 CFADRP Cn1cccc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271353511 279371441 /nfs/dbraw/zinc/37/14/41/279371441.db2.gz YXDOIKHMPANZGT-GDBMZVCRSA-N 2 0 261.413 2.646 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCCCC2)C1 ZINC000421823304 279396135 /nfs/dbraw/zinc/39/61/35/279396135.db2.gz ZEEAUUZPDZLZQB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCCC2)[C@H](C)C1 ZINC000483253202 279397760 /nfs/dbraw/zinc/39/77/60/279397760.db2.gz BORPEBJRWSEPBZ-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000423014972 279515894 /nfs/dbraw/zinc/51/58/94/279515894.db2.gz JREMBDFZXCRTEM-KSZJFAHPSA-N 2 0 294.826 2.758 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423182739 279626975 /nfs/dbraw/zinc/62/69/75/279626975.db2.gz GYYNZYPDSHOIDM-CYBMUJFWSA-N 2 0 283.213 2.765 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000159248457 279649138 /nfs/dbraw/zinc/64/91/38/279649138.db2.gz WZDVJIPYPQLGNL-SJORKVTESA-N 2 0 283.419 2.884 20 0 CFADRP CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250582352 279666389 /nfs/dbraw/zinc/66/63/89/279666389.db2.gz JTVJHOYBDRYAQJ-ARFHVFGLSA-N 2 0 268.445 2.702 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000423123239 279689699 /nfs/dbraw/zinc/68/96/99/279689699.db2.gz KSQJSXNWWJBAGY-WISYIIOYSA-N 2 0 264.335 2.825 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423326904 279694752 /nfs/dbraw/zinc/69/47/52/279694752.db2.gz KTFFBERNGLYOTC-ZIAGYGMSSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000423538650 279699646 /nfs/dbraw/zinc/69/96/46/279699646.db2.gz GSWQQHWXNWGNNZ-CQJMVSDSSA-N 2 0 280.456 2.556 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2sccc21 ZINC000335157284 279748692 /nfs/dbraw/zinc/74/86/92/279748692.db2.gz BGKFLUBXIYQMQL-GXTWGEPZSA-N 2 0 294.464 2.733 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000354621583 279750272 /nfs/dbraw/zinc/75/02/72/279750272.db2.gz AJAPOYMPZACVLA-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000422805669 279879479 /nfs/dbraw/zinc/87/94/79/279879479.db2.gz MMGNUHXMGJMBTJ-LVQVYYBASA-N 2 0 280.456 2.702 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414702624 280052825 /nfs/dbraw/zinc/05/28/25/280052825.db2.gz IXCGTGGENIPQQY-LJISPDSOSA-N 2 0 270.486 2.981 20 0 CFADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422714110 280186457 /nfs/dbraw/zinc/18/64/57/280186457.db2.gz KNWABGUCVSUZTK-SJORKVTESA-N 3 0 281.488 2.763 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422877668 280186592 /nfs/dbraw/zinc/18/65/92/280186592.db2.gz IAPNSBFSRRZCTJ-XDNAFOTISA-N 3 0 295.515 2.865 20 0 CFADRP CC[C@@H](NC[C@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422706519 280189890 /nfs/dbraw/zinc/18/98/90/280189890.db2.gz FEJYRUBRAKRVHU-IXDOHACOSA-N 2 0 293.430 2.549 20 0 CFADRP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CCCCC1 ZINC000423419727 280190720 /nfs/dbraw/zinc/19/07/20/280190720.db2.gz IZSWTLYAXXLVHF-CVEARBPZSA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423224092 280325915 /nfs/dbraw/zinc/32/59/15/280325915.db2.gz IFCKGLVOOHGNJD-HZMBPMFUSA-N 2 0 277.368 2.557 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000423554878 280333839 /nfs/dbraw/zinc/33/38/39/280333839.db2.gz XFWBBZXUPSFQNP-LLLHUVSDSA-N 2 0 273.424 2.756 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000070534516 280484385 /nfs/dbraw/zinc/48/43/85/280484385.db2.gz XBNDVPMAZBQOSP-UHFFFAOYSA-N 2 0 260.425 2.941 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(C)CC1 ZINC000126978673 280659068 /nfs/dbraw/zinc/65/90/68/280659068.db2.gz HOJYWZARIUUDRV-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127609039 280666368 /nfs/dbraw/zinc/66/63/68/280666368.db2.gz LSEYCZCGIZRIIU-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127608781 280666736 /nfs/dbraw/zinc/66/67/36/280666736.db2.gz LSEYCZCGIZRIIU-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP CCC(C)(C)C1CCC([NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000131430972 280717859 /nfs/dbraw/zinc/71/78/59/280717859.db2.gz GNFOJDREIZWNFX-VMBOVVBDSA-N 2 0 284.488 2.884 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@@H](C)CCOC)[NH+]1CCCC1 ZINC000132336496 280729904 /nfs/dbraw/zinc/72/99/04/280729904.db2.gz VMBJSFNIOVMDSW-HOCLYGCPSA-N 2 0 270.461 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C1(C)C ZINC000245880273 280964134 /nfs/dbraw/zinc/96/41/34/280964134.db2.gz KTIIXMLWZWNRRF-ZQDZILKHSA-N 2 0 268.445 2.652 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000422807968 280978523 /nfs/dbraw/zinc/97/85/23/280978523.db2.gz KQTMGPNMSAUASB-IKGGRYGDSA-N 2 0 274.408 2.926 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Oc1ccc(F)cc1 ZINC000247093730 281005691 /nfs/dbraw/zinc/00/56/91/281005691.db2.gz OFUOWXZXHHDHCU-SZOQZIPDSA-N 2 0 294.414 2.911 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000247231472 281007156 /nfs/dbraw/zinc/00/71/56/281007156.db2.gz YIGXFNQNRVWOAB-MHORFTMASA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000247991137 281017570 /nfs/dbraw/zinc/01/75/70/281017570.db2.gz JJOFGVSCEGBGBY-XDNAFOTISA-N 2 0 295.515 2.673 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](SC)C2)[C@@H](C)C1 ZINC000248170595 281018292 /nfs/dbraw/zinc/01/82/92/281018292.db2.gz URPLPEYVOAYZLD-XGUBFFRZSA-N 2 0 270.486 2.981 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1C[NH2+]C1 ZINC000335462679 281026638 /nfs/dbraw/zinc/02/66/38/281026638.db2.gz SKYCIZICXLMWFN-INIZCTEOSA-N 2 0 269.392 2.663 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587604 281027135 /nfs/dbraw/zinc/02/71/35/281027135.db2.gz QJEJMELGUYMWEN-YQQAZPJKSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[NH3+] ZINC000423177528 281027455 /nfs/dbraw/zinc/02/74/55/281027455.db2.gz AWDQXYJWLCDYSC-OAHLLOKOSA-N 2 0 257.381 2.792 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000249036791 281045390 /nfs/dbraw/zinc/04/53/90/281045390.db2.gz CISQWCPGNAXSTI-HRCADAONSA-N 2 0 250.430 2.862 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000249291314 281054931 /nfs/dbraw/zinc/05/49/31/281054931.db2.gz PRPOSYBGHSOWHW-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP COC[C@@H](C)C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249763579 281066544 /nfs/dbraw/zinc/06/65/44/281066544.db2.gz IAJWVLUZJLXAED-ZNMIVQPWSA-N 2 0 270.461 2.615 20 0 CFADRP c1cnc2c(c1)cccc2C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673302 281076532 /nfs/dbraw/zinc/07/65/32/281076532.db2.gz IRUOCKQZQKCILQ-IRXDYDNUSA-N 2 0 281.403 2.951 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000259098608 281111597 /nfs/dbraw/zinc/11/15/97/281111597.db2.gz SAQVERSVIBZBBT-ZIAGYGMSSA-N 2 0 260.406 2.913 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1nccs1 ZINC000261565417 281112088 /nfs/dbraw/zinc/11/20/88/281112088.db2.gz FOPBTHVZORBRDQ-SWHYSGLUSA-N 2 0 273.405 2.981 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423398994 281124045 /nfs/dbraw/zinc/12/40/45/281124045.db2.gz PHJYGQZWBBLNCQ-IAOVAPTHSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])CCC2 ZINC000423133291 281124113 /nfs/dbraw/zinc/12/41/13/281124113.db2.gz QAZIJBBFBDVXDI-OKDNKWQNSA-N 2 0 288.435 2.714 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCCCCC1 ZINC000334678163 281157029 /nfs/dbraw/zinc/15/70/29/281157029.db2.gz AIPOHHNCFDLQDQ-UHFFFAOYSA-N 2 0 270.380 2.952 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CSC1(C)C ZINC000393860129 281193468 /nfs/dbraw/zinc/19/34/68/281193468.db2.gz FYEWZWXVXGCRPB-FRRDWIJNSA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397636513 281201091 /nfs/dbraw/zinc/20/10/91/281201091.db2.gz PURHZFSLOLIGMS-ULQDDVLXSA-N 2 0 295.515 2.673 20 0 CFADRP c1ccc(COCCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420371146 281219574 /nfs/dbraw/zinc/21/95/74/281219574.db2.gz LLXQLPPUYNVVAE-SFHVURJKSA-N 2 0 288.435 2.669 20 0 CFADRP CC(=O)N1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c2ccccc21 ZINC000423009865 281223061 /nfs/dbraw/zinc/22/30/61/281223061.db2.gz FFHFTBXOXHQJCU-BBRMVZONSA-N 2 0 289.423 2.591 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423011209 281223106 /nfs/dbraw/zinc/22/31/06/281223106.db2.gz AQOYLRXNOBLQDS-JJRVBVJISA-N 2 0 260.425 2.996 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000423011763 281223145 /nfs/dbraw/zinc/22/31/45/281223145.db2.gz JHFNAFMVRWOPSR-ODIFPOPNSA-N 2 0 290.451 2.981 20 0 CFADRP CC[C@@H]1C[C@H](C[N@H+](CC)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435393128 281234872 /nfs/dbraw/zinc/23/48/72/281234872.db2.gz ZDONXOBPDVYWSS-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@H+](Cc1ccc(OC)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435393341 281235030 /nfs/dbraw/zinc/23/50/30/281235030.db2.gz IVHYVHLNTSMFLC-MRXNPFEDSA-N 2 0 276.424 2.968 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459361289 281257067 /nfs/dbraw/zinc/25/70/67/281257067.db2.gz ZOLGNIOALKECKY-PVAVHDDUSA-N 2 0 258.409 2.674 20 0 CFADRP CC[NH+]1C[C@H](C)N(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000459451463 281265087 /nfs/dbraw/zinc/26/50/87/281265087.db2.gz BJLNPRMCMMSGOY-ULQDDVLXSA-N 2 0 281.488 2.664 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)C1(CO)CCCC1 ZINC000459545542 281268773 /nfs/dbraw/zinc/26/87/73/281268773.db2.gz SGCBFXSEEDLXLT-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000514847296 281287292 /nfs/dbraw/zinc/28/72/92/281287292.db2.gz NUMTZQDMPIOGAJ-GXTWGEPZSA-N 2 0 252.427 2.801 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000514872171 281287959 /nfs/dbraw/zinc/28/79/59/281287959.db2.gz CEZNEDAGBHADLA-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000423069400 281292977 /nfs/dbraw/zinc/29/29/77/281292977.db2.gz LKBAAZAIZFZVOM-UHOFOFEASA-N 2 0 274.408 2.796 20 0 CFADRP Cc1noc(C2CCC([NH2+]C3CCC(C[NH3+])CC3)CC2)n1 ZINC000515634326 281296672 /nfs/dbraw/zinc/29/66/72/281296672.db2.gz AJWVCSJAMXQWKN-UHFFFAOYSA-N 2 0 292.427 2.511 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000516229139 281301303 /nfs/dbraw/zinc/30/13/03/281301303.db2.gz WTKPMVOYOQJGTC-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000302859353 281309632 /nfs/dbraw/zinc/30/96/32/281309632.db2.gz OBDBMKRVYKHHIW-GASCZTMLSA-N 2 0 281.403 2.849 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000520570251 281309981 /nfs/dbraw/zinc/30/99/81/281309981.db2.gz YQFLWHNZVLSNMS-HZPDHXFCSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521029574 281310586 /nfs/dbraw/zinc/31/05/86/281310586.db2.gz IBKDNOSKKRXHLC-OAGGEKHMSA-N 2 0 290.451 2.635 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CCN1CC[C@H](C)C1 ZINC000527348170 281329653 /nfs/dbraw/zinc/32/96/53/281329653.db2.gz FIHNWUVVGQKVTK-UONOGXRCSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000423393306 288323455 /nfs/dbraw/zinc/32/34/55/288323455.db2.gz MDUDWHGKFCKHNU-INWMFGNUSA-N 2 0 259.397 2.521 20 0 CFADRP C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC[NH+]1C1CCCCC1 ZINC000527751054 281346434 /nfs/dbraw/zinc/34/64/34/281346434.db2.gz FJIWQGRFVOJPDZ-KBAYOESNSA-N 2 0 291.483 2.610 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2COC2)CC1 ZINC000528024268 281348451 /nfs/dbraw/zinc/34/84/51/281348451.db2.gz DHPPNKKUTGYJSP-UHFFFAOYSA-N 2 0 288.435 2.666 20 0 CFADRP CCc1ncc(C[NH2+]CCCCC[NH+]2CCCCC2)cn1 ZINC000414352037 281533153 /nfs/dbraw/zinc/53/31/53/281533153.db2.gz OUJJFXSKSHXGBA-UHFFFAOYSA-N 2 0 290.455 2.785 20 0 CFADRP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000093942171 288349303 /nfs/dbraw/zinc/34/93/03/288349303.db2.gz JUVVEXLDMLWGDI-RYRKJORJSA-N 2 0 295.515 2.817 20 0 CFADRP OC[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)CC1CCCC1 ZINC000547395808 281737400 /nfs/dbraw/zinc/73/74/00/281737400.db2.gz GYJMIEUHNCPCKK-QGZVFWFLSA-N 2 0 294.483 2.639 20 0 CFADRP CC[C@@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000554071230 281884758 /nfs/dbraw/zinc/88/47/58/281884758.db2.gz IZIFMUQKHMFUJT-SJLPKXTDSA-N 2 0 290.451 2.948 20 0 CFADRP Cc1cnccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000556148545 281927431 /nfs/dbraw/zinc/92/74/31/281927431.db2.gz RMSGBAVHEFNFIL-UHFFFAOYSA-N 2 0 261.413 2.600 20 0 CFADRP c1ccc2c(C[NH2+]CCC[C@H]3CCC[NH2+]3)ccnc2c1 ZINC000556952585 281955027 /nfs/dbraw/zinc/95/50/27/281955027.db2.gz BNRXODXFESXXOX-HNNXBMFYSA-N 2 0 269.392 2.857 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000558968134 281999570 /nfs/dbraw/zinc/99/95/70/281999570.db2.gz BATOWHXHDVOWNY-SJLPKXTDSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000560113865 282015785 /nfs/dbraw/zinc/01/57/85/282015785.db2.gz NDARSRVKTHUFOC-OXXQZIGGSA-N 2 0 268.445 2.652 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)C12CCC2 ZINC000560288100 282020603 /nfs/dbraw/zinc/02/06/03/282020603.db2.gz TUXFEKMFZSUUNJ-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000347018058 282023158 /nfs/dbraw/zinc/02/31/58/282023158.db2.gz HBJLMXMSFXXODQ-CYBMUJFWSA-N 2 0 297.487 2.532 20 0 CFADRP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000334219760 282029415 /nfs/dbraw/zinc/02/94/15/282029415.db2.gz ZXVZLUULUAIPPC-OCCSQVGLSA-N 2 0 279.453 2.760 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000560495542 282031174 /nfs/dbraw/zinc/03/11/74/282031174.db2.gz VTOWUKSHDGQRJZ-XBPVQUQDSA-N 2 0 280.362 2.909 20 0 CFADRP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000560892051 282043727 /nfs/dbraw/zinc/04/37/27/282043727.db2.gz JHELGFMRZINNQH-CVEARBPZSA-N 2 0 276.424 2.612 20 0 CFADRP CCn1c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)nc2ccccc21 ZINC000560973773 282044684 /nfs/dbraw/zinc/04/46/84/282044684.db2.gz PUSKKAHELVFTFZ-CQSZACIVSA-N 2 0 286.423 2.678 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000331863867 282046706 /nfs/dbraw/zinc/04/67/06/282046706.db2.gz ZCJLCRQUQDOJCH-GMXVVIOVSA-N 2 0 265.426 2.688 20 0 CFADRP C[NH+](C)C1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000157498604 282046746 /nfs/dbraw/zinc/04/67/46/282046746.db2.gz BOINPTPADHADKY-CVEARBPZSA-N 2 0 273.424 2.595 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278771244 289111878 /nfs/dbraw/zinc/11/18/78/289111878.db2.gz PGLILUNVGAYFML-MRXNPFEDSA-N 2 0 261.413 2.865 20 0 CFADRP C[NH+](C)CCOCC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000231675857 289169984 /nfs/dbraw/zinc/16/99/84/289169984.db2.gz RQSXLFSWZHPECO-UHFFFAOYSA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(C)(C)C ZINC000374420900 289334048 /nfs/dbraw/zinc/33/40/48/289334048.db2.gz MQDKXWLUNNHJMQ-ILXRZTDVSA-N 2 0 268.445 2.606 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537018 289445649 /nfs/dbraw/zinc/44/56/49/289445649.db2.gz BQLNLPOBMIZDCN-DTZQCDIJSA-N 2 0 250.430 2.933 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422751095 289628586 /nfs/dbraw/zinc/62/85/86/289628586.db2.gz CEOUWYRATJKULZ-IAGOWNOFSA-N 2 0 275.440 2.763 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000261565886 289692675 /nfs/dbraw/zinc/69/26/75/289692675.db2.gz FXMSWYQVMCQMFG-ZOBORPQBSA-N 2 0 279.453 2.757 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154407376 289893640 /nfs/dbraw/zinc/89/36/40/289893640.db2.gz ZJBBRUFCQIUDLT-QGZVFWFLSA-N 2 0 289.467 2.673 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423206397 290012313 /nfs/dbraw/zinc/01/23/13/290012313.db2.gz BZYPFOASFUINOL-ZOFXXKQRSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403320898 290026597 /nfs/dbraw/zinc/02/65/97/290026597.db2.gz KUWQPMQIVNUERL-FWXGHANASA-N 2 0 250.430 2.741 20 0 CFADRP Fc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000562488417 290047963 /nfs/dbraw/zinc/04/79/63/290047963.db2.gz CCCLNGRJMFJCAY-UHFFFAOYSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000562521841 290050176 /nfs/dbraw/zinc/05/01/76/290050176.db2.gz DDEMBOUYHDANQH-LBPRGKRZSA-N 2 0 270.367 2.952 20 0 CFADRP CC1(C)C[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000562567402 290055858 /nfs/dbraw/zinc/05/58/58/290055858.db2.gz OOXBAEILWAJDJN-HNNXBMFYSA-N 2 0 280.456 2.656 20 0 CFADRP C[NH2+]Cc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000562809310 290077026 /nfs/dbraw/zinc/07/70/26/290077026.db2.gz MUVYGNNJKQKAQG-QGZVFWFLSA-N 2 0 297.402 2.825 20 0 CFADRP [NH3+][C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000562955661 290085213 /nfs/dbraw/zinc/08/52/13/290085213.db2.gz GUQLBUCORVZFJU-BRSBDYLESA-N 2 0 287.451 2.587 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000562958927 290086009 /nfs/dbraw/zinc/08/60/09/290086009.db2.gz BPUJCQZBVZKIPI-CRAIPNDOSA-N 2 0 298.434 2.539 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccncc2C)[C@@H](C)C1 ZINC000563061382 290099440 /nfs/dbraw/zinc/09/94/40/290099440.db2.gz HLQDVNXTMGOHAK-RDJZCZTQSA-N 2 0 275.440 2.595 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)C12CCC2 ZINC000563154133 290109799 /nfs/dbraw/zinc/10/97/99/290109799.db2.gz JYOYYWVZSBAKGD-JKSUJKDBSA-N 2 0 274.408 2.583 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]C2(CCO)CCN(C)CC2)C[C@H]1C ZINC000563415801 290145648 /nfs/dbraw/zinc/14/56/48/290145648.db2.gz FHINHZYNZNNECR-IKGGRYGDSA-N 2 0 296.499 2.884 20 0 CFADRP CCN(CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000563424989 290149205 /nfs/dbraw/zinc/14/92/05/290149205.db2.gz OCSQCENTWJWBDQ-HZPDHXFCSA-N 2 0 275.440 2.763 20 0 CFADRP CC(C)[N@@H+](Cc1ccccn1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000563435833 290151247 /nfs/dbraw/zinc/15/12/47/290151247.db2.gz QVWTXUMQFDISSG-GJZGRUSLSA-N 2 0 261.413 2.680 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)[C@H](C)C1 ZINC000563444936 290153168 /nfs/dbraw/zinc/15/31/68/290153168.db2.gz TXIUKLPBORIWLR-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000563519262 290157164 /nfs/dbraw/zinc/15/71/64/290157164.db2.gz FEMXNXQJCUSNNA-AAEUAGOBSA-N 2 0 254.324 2.841 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000563554268 290160012 /nfs/dbraw/zinc/16/00/12/290160012.db2.gz XUVHWEGFMXVFBE-LBPRGKRZSA-N 2 0 265.376 2.603 20 0 CFADRP CC(C)[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000563811325 290176047 /nfs/dbraw/zinc/17/60/47/290176047.db2.gz YAFTWQWOJZQPMJ-BBWFWOEESA-N 2 0 258.409 2.577 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000564224963 290198927 /nfs/dbraw/zinc/19/89/27/290198927.db2.gz ASWMIIKOWGGGRC-IAGOWNOFSA-N 2 0 276.424 2.973 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000564319579 290202532 /nfs/dbraw/zinc/20/25/32/290202532.db2.gz XPOBHILZKPYYTK-DZGCQCFKSA-N 2 0 266.454 2.999 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)CN(C)C1CC1 ZINC000564384208 290206659 /nfs/dbraw/zinc/20/66/59/290206659.db2.gz KHQKOBQUVIBOJM-GOSISDBHSA-N 2 0 290.451 2.662 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000564631744 290219463 /nfs/dbraw/zinc/21/94/63/290219463.db2.gz HRLARQMGIVDGIJ-CAOSSQGBSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000564631771 290219612 /nfs/dbraw/zinc/21/96/12/290219612.db2.gz HRLARQMGIVDGIJ-WCVJEAGWSA-N 2 0 268.445 2.797 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2cccc(C)n2)C[C@@H]1C ZINC000564653047 290221312 /nfs/dbraw/zinc/22/13/12/290221312.db2.gz MKSGGHMOKSWKBP-RDJZCZTQSA-N 2 0 275.440 2.737 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000564797918 290233158 /nfs/dbraw/zinc/23/31/58/290233158.db2.gz DTNGWRCOIXIVFA-ZJUUUORDSA-N 2 0 250.317 2.787 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000564823886 290236310 /nfs/dbraw/zinc/23/63/10/290236310.db2.gz MZCBUHQDYIQOPU-OWSLCNJRSA-N 3 0 295.515 2.865 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000564822590 290236739 /nfs/dbraw/zinc/23/67/39/290236739.db2.gz HSMSFDALFNPPHB-DOMZBBRYSA-N 2 0 268.351 2.614 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000564825494 290237126 /nfs/dbraw/zinc/23/71/26/290237126.db2.gz LPUIHCNPLLCAOV-HUUCEWRRSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCc1cccs1 ZINC000564825435 290237284 /nfs/dbraw/zinc/23/72/84/290237284.db2.gz HAWOHHNDGHBXLG-JSGCOSHPSA-N 2 0 252.427 2.658 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2ccncc2C)CC1 ZINC000564910180 290248725 /nfs/dbraw/zinc/24/87/25/290248725.db2.gz DCVFTQSRIGTGRF-UHFFFAOYSA-N 2 0 289.467 2.986 20 0 CFADRP Fc1ccc(/C=C\C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000564973382 290254187 /nfs/dbraw/zinc/25/41/87/290254187.db2.gz CYMJKLIPKCOOQX-UPHRSURJSA-N 2 0 274.383 2.914 20 0 CFADRP Cc1cccc(C)c1OCC[NH+]1CCC(CC[NH3+])CC1 ZINC000565095947 290267444 /nfs/dbraw/zinc/26/74/44/290267444.db2.gz CNRKOMZLMRXZSS-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226908 290285631 /nfs/dbraw/zinc/28/56/31/290285631.db2.gz RSSXSJLIGCQQCN-INWMFGNUSA-N 2 0 259.397 2.506 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226286 290285699 /nfs/dbraw/zinc/28/56/99/290285699.db2.gz LXXWHXXWNOVNAB-QZTJIDSGSA-N 3 0 287.451 2.642 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000565297623 290292457 /nfs/dbraw/zinc/29/24/57/290292457.db2.gz PKLXDTMMIBLUDG-CQSZACIVSA-N 2 0 260.425 2.864 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000565357444 290296449 /nfs/dbraw/zinc/29/64/49/290296449.db2.gz XYAPAPZOXIPGHJ-KBPBESRZSA-N 2 0 262.397 2.654 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000565474120 290303474 /nfs/dbraw/zinc/30/34/74/290303474.db2.gz AMRBIEQJTILZFN-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000565690934 290318220 /nfs/dbraw/zinc/31/82/20/290318220.db2.gz SSARHNSPLXTVDY-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP COc1cccc(CCC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000565719946 290319883 /nfs/dbraw/zinc/31/98/83/290319883.db2.gz AJZKFPJDMRWJPL-UHFFFAOYSA-N 2 0 276.424 2.689 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000565749805 290321844 /nfs/dbraw/zinc/32/18/44/290321844.db2.gz HDTNNGQEHWHNCS-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000565946569 290336286 /nfs/dbraw/zinc/33/62/86/290336286.db2.gz XHHWTDVEARVDEI-HZPDHXFCSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000565946568 290336301 /nfs/dbraw/zinc/33/63/01/290336301.db2.gz XHHWTDVEARVDEI-HOTGVXAUSA-N 2 0 290.451 2.922 20 0 CFADRP c1c[nH]c([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CCCCC2)n1 ZINC000566087952 290346420 /nfs/dbraw/zinc/34/64/20/290346420.db2.gz HODZWZSWZBLBKY-UKRRQHHQSA-N 2 0 276.428 2.620 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000566091016 290346947 /nfs/dbraw/zinc/34/69/47/290346947.db2.gz UREFVZVLKMKCNO-QZTJIDSGSA-N 2 0 298.434 2.837 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(-c2cnn(C)c2)c1 ZINC000566230085 290360250 /nfs/dbraw/zinc/36/02/50/290360250.db2.gz GAWIIYFXHXHINJ-UONOGXRCSA-N 2 0 286.423 2.611 20 0 CFADRP CC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000566306330 290369422 /nfs/dbraw/zinc/36/94/22/290369422.db2.gz MJJKXTMOWNZNGL-LSDHHAIUSA-N 2 0 296.480 2.581 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000566473869 290390738 /nfs/dbraw/zinc/39/07/38/290390738.db2.gz DUPCKEOYJQMAKA-GJZGRUSLSA-N 2 0 290.455 2.948 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566482249 290393229 /nfs/dbraw/zinc/39/32/29/290393229.db2.gz LTNPGZZQTQNXDT-ULQDDVLXSA-N 3 0 281.488 2.747 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)nc21 ZINC000566484053 290393726 /nfs/dbraw/zinc/39/37/26/290393726.db2.gz ZLKFUSOPAXEOHR-STQMWFEESA-N 2 0 273.380 2.538 20 0 CFADRP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000566484014 290393751 /nfs/dbraw/zinc/39/37/51/290393751.db2.gz ZEDIUUXNZDMTIJ-GLQYFDAESA-N 2 0 280.387 2.625 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000567242317 290450099 /nfs/dbraw/zinc/45/00/99/290450099.db2.gz CWCCPMLXABZOHZ-ZYHUDNBSSA-N 2 0 265.426 2.628 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCCCCC1 ZINC000567639030 290480146 /nfs/dbraw/zinc/48/01/46/290480146.db2.gz LFXMBTWKUYUNJD-IXDOHACOSA-N 2 0 293.499 2.939 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cccc(O)c1 ZINC000567895188 290503491 /nfs/dbraw/zinc/50/34/91/290503491.db2.gz AABUAYXLJHCNCC-LBPRGKRZSA-N 2 0 256.349 2.702 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000568074672 290521781 /nfs/dbraw/zinc/52/17/81/290521781.db2.gz JPHNTZJVQDRCMA-QGZVFWFLSA-N 2 0 274.408 2.662 20 0 CFADRP [NH3+]Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)co1 ZINC000568262976 290541884 /nfs/dbraw/zinc/54/18/84/290541884.db2.gz GWAZLJZWZLFIHU-UHFFFAOYSA-N 2 0 299.374 2.586 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000568855402 290573324 /nfs/dbraw/zinc/57/33/24/290573324.db2.gz KODZLRJOZHWCPX-ZDUSSCGKSA-N 2 0 258.409 2.826 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])s1 ZINC000310459740 293244085 /nfs/dbraw/zinc/24/40/85/293244085.db2.gz ANOVSXYCSVCNQW-VHSXEESVSA-N 2 0 255.431 2.928 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000401113990 293244987 /nfs/dbraw/zinc/24/49/87/293244987.db2.gz HKIVHDWNDHCIHV-AHLTXXRQSA-N 2 0 279.453 2.799 20 0 CFADRP NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000333327648 295014392 /nfs/dbraw/zinc/01/43/92/295014392.db2.gz VPFCPHXNAHLNIS-GZBLMMOJSA-N 2 0 279.428 2.591 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000423186921 295239121 /nfs/dbraw/zinc/23/91/21/295239121.db2.gz OQGOMSHNZDXNJV-CHWSQXEVSA-N 2 0 292.423 2.537 20 0 CFADRP NC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000414930830 295243865 /nfs/dbraw/zinc/24/38/65/295243865.db2.gz BBTVTPUIPHPFIN-DAWZGUTISA-N 2 0 283.419 2.699 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C(C)C)cc1 ZINC000423407151 295246403 /nfs/dbraw/zinc/24/64/03/295246403.db2.gz VLUSLAVEQQWXFR-XOKHGSTOSA-N 2 0 276.424 2.980 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423275128 295251209 /nfs/dbraw/zinc/25/12/09/295251209.db2.gz MWZGDGZUPGMWQU-APHBMKBZSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSc2ccccc21 ZINC000423143191 295257245 /nfs/dbraw/zinc/25/72/45/295257245.db2.gz CNVDLMTXHCLNTO-OUCADQQQSA-N 2 0 262.422 2.593 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000422993199 295257485 /nfs/dbraw/zinc/25/74/85/295257485.db2.gz RAYQHHPUQGNJNA-APHBMKBZSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422893554 295273561 /nfs/dbraw/zinc/27/35/61/295273561.db2.gz AFCZQONVDCICLF-IUODEOHRSA-N 2 0 262.372 2.574 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[NH3+])CCCS2 ZINC000423222402 295274350 /nfs/dbraw/zinc/27/43/50/295274350.db2.gz AVSLNLABSRTGTQ-SMDDNHRTSA-N 2 0 280.437 2.949 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422997456 295289031 /nfs/dbraw/zinc/28/90/31/295289031.db2.gz BFYUQZUJVOYTJE-WMLDXEAASA-N 2 0 290.451 2.951 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335017825 295296610 /nfs/dbraw/zinc/29/66/10/295296610.db2.gz NVAATNNTBIXLQF-LXKPXOPUSA-N 2 0 250.308 2.577 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000422698799 295315785 /nfs/dbraw/zinc/31/57/85/295315785.db2.gz BAMBQGMBGNGVRT-ZIAGYGMSSA-N 2 0 264.800 2.841 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423271084 295337356 /nfs/dbraw/zinc/33/73/56/295337356.db2.gz ITVACYNCHRSLPX-RCBQFDQVSA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)CC1CC[NH2+]CC1 ZINC000088194979 295364887 /nfs/dbraw/zinc/36/48/87/295364887.db2.gz RSYPJRJAQNQAHM-AWEZNQCLSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423409339 297110117 /nfs/dbraw/zinc/11/01/17/297110117.db2.gz YSZABVMCUYRMCH-LYRGGWFBSA-N 2 0 262.372 2.864 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000422902239 298877073 /nfs/dbraw/zinc/87/70/73/298877073.db2.gz MJZSZIHCYGFJRG-UGUYLWEFSA-N 2 0 268.445 2.844 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000423014156 298964223 /nfs/dbraw/zinc/96/42/23/298964223.db2.gz HMLJEHCPSORMLB-LWWSYDQCSA-N 2 0 282.815 2.885 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CCC[NH2+]C1 ZINC000414919286 300806530 /nfs/dbraw/zinc/80/65/30/300806530.db2.gz WMGULDJYNHLPDH-JYJNAYRXSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccccc1OCCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415087759 302106986 /nfs/dbraw/zinc/10/69/86/302106986.db2.gz WQVQOHWCWDIGSL-HZPDHXFCSA-N 2 0 276.424 2.742 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000423056474 302208669 /nfs/dbraw/zinc/20/86/69/302208669.db2.gz FYBYUEACVVKTAE-AESZEHBQSA-N 2 0 277.456 2.702 20 0 CFADRP Cc1c[nH+]ccc1N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488764447 302386930 /nfs/dbraw/zinc/38/69/30/302386930.db2.gz LRYKAXKVEANEGU-WOSRLPQWSA-N 2 0 259.397 2.557 20 0 CFADRP Cc1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248673470 302387129 /nfs/dbraw/zinc/38/71/29/302387129.db2.gz VTKLMVVZPBCZEM-YOEHRIQHSA-N 2 0 271.408 2.843 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CC[C@H]2C2CC2)C2CC3CC(C2)CC1C3 ZINC000423517270 303360199 /nfs/dbraw/zinc/36/01/99/303360199.db2.gz BLWXUEUCGNAJFG-WVLBRAFFSA-N 2 0 274.452 2.918 20 0 CFADRP [NH3+]C1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000335025408 303362069 /nfs/dbraw/zinc/36/20/69/303362069.db2.gz RMTRDYYALRWXKQ-PIMMBPRGSA-N 2 0 278.371 2.899 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1Cl ZINC000422946163 533702661 /nfs/dbraw/zinc/70/26/61/533702661.db2.gz WACRUFRUAZCSLF-RISCZKNCSA-N 2 0 282.815 2.826 20 0 CFADRP C[N@@H+]1CCC[C@H](CNc2nccc3ccccc32)C1 ZINC000168672827 322389733 /nfs/dbraw/zinc/38/97/33/322389733.db2.gz VEDVGCNKORXIEI-CYBMUJFWSA-N 2 0 255.365 2.989 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOc2ccc(Cl)cc2)C1 ZINC000570226644 322521466 /nfs/dbraw/zinc/52/14/66/322521466.db2.gz OZGPFUQWVORIGW-OLZOCXBDSA-N 2 0 268.788 2.578 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000570662951 322544287 /nfs/dbraw/zinc/54/42/87/322544287.db2.gz OIELYAMCZILTLP-CABCVRRESA-N 2 0 262.397 2.835 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571581928 322588600 /nfs/dbraw/zinc/58/86/00/322588600.db2.gz VLULZDLWNJGEMA-LSDHHAIUSA-N 2 0 262.397 2.542 20 0 CFADRP CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000572147864 322609223 /nfs/dbraw/zinc/60/92/23/322609223.db2.gz UQHOYINRGJRXJT-CABCVRRESA-N 2 0 268.351 2.628 20 0 CFADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000573021613 322641548 /nfs/dbraw/zinc/64/15/48/322641548.db2.gz FXEZVIIEFWOMCQ-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP [NH3+]CCC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000573377889 322654000 /nfs/dbraw/zinc/65/40/00/322654000.db2.gz YDGHJDNRDSFBFB-UPHRSURJSA-N 2 0 262.372 2.900 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000573555692 322660438 /nfs/dbraw/zinc/66/04/38/322660438.db2.gz SPIRKXKCUYUVEL-QZTJIDSGSA-N 2 0 298.434 2.539 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000574028993 322677908 /nfs/dbraw/zinc/67/79/08/322677908.db2.gz LLGADNBVCWUDML-IAGOWNOFSA-N 2 0 290.451 2.737 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000574392848 322691200 /nfs/dbraw/zinc/69/12/00/322691200.db2.gz IPRHYKBGSXNKDJ-XFBWCDHKSA-N 2 0 259.397 2.688 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000574927536 322712015 /nfs/dbraw/zinc/71/20/15/322712015.db2.gz MQHOMAPGJBQMPN-JKQORVJESA-N 2 0 274.408 2.658 20 0 CFADRP c1cncc([C@@H]([NH2+]CC2CC[NH2+]CC2)C2CCC2)c1 ZINC000575914146 322733781 /nfs/dbraw/zinc/73/37/81/322733781.db2.gz IDDUQUWJDIAALO-INIZCTEOSA-N 2 0 259.397 2.512 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC2CC[NH+](C)CC2)C[C@H]1OC ZINC000181698905 323820962 /nfs/dbraw/zinc/82/09/62/323820962.db2.gz UVJGFVRODLFXNP-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1nccn1C ZINC000183031834 323894764 /nfs/dbraw/zinc/89/47/64/323894764.db2.gz VTXGZSXHCKPWKY-OAHLLOKOSA-N 2 0 278.444 2.583 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000189811632 324033633 /nfs/dbraw/zinc/03/36/33/324033633.db2.gz BJKITRDMJLVEAZ-BRWVUGGUSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@@H](O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189963053 324035306 /nfs/dbraw/zinc/03/53/06/324035306.db2.gz LBWDCMBAOQKEEY-BFYDXBDKSA-N 2 0 290.451 2.504 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC=C(C)C)[C@H](C)C1 ZINC000189999486 324036131 /nfs/dbraw/zinc/03/61/31/324036131.db2.gz OZHPQMBEIDYEHE-CVEARBPZSA-N 2 0 268.445 2.679 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000191805152 324054742 /nfs/dbraw/zinc/05/47/42/324054742.db2.gz MNEZJLZOJPHXOL-GOSISDBHSA-N 2 0 290.451 2.700 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000191896024 324055331 /nfs/dbraw/zinc/05/53/31/324055331.db2.gz YYBUMRKUVRAIBL-MRXNPFEDSA-N 2 0 270.461 2.591 20 0 CFADRP C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211985118 324110134 /nfs/dbraw/zinc/11/01/34/324110134.db2.gz POFWYNDPXVKDKK-ZIAGYGMSSA-N 2 0 258.409 2.953 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000387689167 324496614 /nfs/dbraw/zinc/49/66/14/324496614.db2.gz UVRWHFBNGJGVHU-ROUUACIJSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000577650325 324765549 /nfs/dbraw/zinc/76/55/49/324765549.db2.gz MWBDHVNEKGYRDT-GDBMZVCRSA-N 2 0 289.423 2.641 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C1 ZINC000578549583 324864053 /nfs/dbraw/zinc/86/40/53/324864053.db2.gz SDVATKBQZMLERR-STQMWFEESA-N 2 0 284.350 2.690 20 0 CFADRP CC1(C)CC[C@@H]1[NH2+]CC1(C[NH2+][C@H]2CCC2(C)C)COC1 ZINC000579139386 324925632 /nfs/dbraw/zinc/92/56/32/324925632.db2.gz FWLNVLXBUMHYPY-KBPBESRZSA-N 2 0 280.456 2.559 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000579259340 324936691 /nfs/dbraw/zinc/93/66/91/324936691.db2.gz RPAQYUCXNHNKQA-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000579461901 324952202 /nfs/dbraw/zinc/95/22/02/324952202.db2.gz HVHIBGRAVDQVCK-KALAOPPPSA-N 2 0 286.419 2.875 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000580074334 325004172 /nfs/dbraw/zinc/00/41/72/325004172.db2.gz OWOKMZYIJRGLKI-WDEREUQCSA-N 2 0 285.229 2.973 20 0 CFADRP Cc1ccnc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000580090930 325006804 /nfs/dbraw/zinc/00/68/04/325006804.db2.gz KLAFZZQGCDOHNC-CVEARBPZSA-N 2 0 273.424 2.664 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C1 ZINC000580094952 325007657 /nfs/dbraw/zinc/00/76/57/325007657.db2.gz CJCRYHWDIGJQHR-GJZGRUSLSA-N 2 0 271.408 2.960 20 0 CFADRP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000580182230 325013137 /nfs/dbraw/zinc/01/31/37/325013137.db2.gz YDAIUNIAVQKRIG-XKQJLSEDSA-N 2 0 258.409 2.768 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000580249285 325019466 /nfs/dbraw/zinc/01/94/66/325019466.db2.gz ARKIYITXJPNSDL-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c(F)c1 ZINC000580319093 325026050 /nfs/dbraw/zinc/02/60/50/325026050.db2.gz VNVRJBPTBLSDQX-ZDUSSCGKSA-N 2 0 289.354 2.557 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000580363847 325029361 /nfs/dbraw/zinc/02/93/61/325029361.db2.gz QGKSONUREJPIDP-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000580431927 325034737 /nfs/dbraw/zinc/03/47/37/325034737.db2.gz XCPSEJPAHDPEMB-VXGBXAGGSA-N 2 0 292.814 2.741 20 0 CFADRP CO[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581194901 325099354 /nfs/dbraw/zinc/09/93/54/325099354.db2.gz JHFOPFXGXVWBIR-ZFWWWQNUSA-N 2 0 296.480 2.845 20 0 CFADRP Cc1c(Br)cccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000581440191 325122172 /nfs/dbraw/zinc/12/21/72/325122172.db2.gz YKHBGLRLHPGVLW-SNVBAGLBSA-N 2 0 285.229 2.975 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]Cc3cnccn3)CC2)CC1 ZINC000581652983 325140255 /nfs/dbraw/zinc/14/02/55/325140255.db2.gz PVZQZZKFRQLZPT-UHFFFAOYSA-N 2 0 288.439 2.609 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000581937844 325161284 /nfs/dbraw/zinc/16/12/84/325161284.db2.gz WOXBLUZJJOUBPW-OAHLLOKOSA-N 2 0 291.439 2.690 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000581966884 325164382 /nfs/dbraw/zinc/16/43/82/325164382.db2.gz VERQKFKUYVPZEK-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000582129786 325179178 /nfs/dbraw/zinc/17/91/78/325179178.db2.gz CGFWBKIOJFXLTC-WMZOPIPTSA-N 2 0 292.467 2.984 20 0 CFADRP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000582288718 325192480 /nfs/dbraw/zinc/19/24/80/325192480.db2.gz NDWOKWKQEJRLSR-CJNGLKHVSA-N 2 0 299.418 2.851 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc(C4CC4)s3)C[C@@H]21 ZINC000582666509 325223967 /nfs/dbraw/zinc/22/39/67/325223967.db2.gz RYTUXUGZWSONJC-FPMFFAJLSA-N 2 0 277.437 2.580 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000583032570 325254870 /nfs/dbraw/zinc/25/48/70/325254870.db2.gz OERZYEBHRGDJPP-NXHRZFHOSA-N 2 0 290.451 2.567 20 0 CFADRP FC(F)[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000583198218 325267827 /nfs/dbraw/zinc/26/78/27/325267827.db2.gz SXGRUPVICATFEK-OAHLLOKOSA-N 2 0 282.378 2.842 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCc2cccc(C)n2)CC1 ZINC000583319149 325277399 /nfs/dbraw/zinc/27/73/99/325277399.db2.gz CEYZEOMXHABLBD-UHFFFAOYSA-N 2 0 289.467 2.986 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000583428398 325286632 /nfs/dbraw/zinc/28/66/32/325286632.db2.gz FSABNJAZAXXGLD-WCQYABFASA-N 2 0 252.427 2.843 20 0 CFADRP C[C@H]1C[C@@H](C[NH2+]C2(c3ccccc3)CCOCC2)CC[NH2+]1 ZINC000583740562 325307079 /nfs/dbraw/zinc/30/70/79/325307079.db2.gz YVLDUNIJMKXGSU-HOTGVXAUSA-N 2 0 288.435 2.670 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000584285580 325343512 /nfs/dbraw/zinc/34/35/12/325343512.db2.gz NGKRGBHXFZTCOG-HNNXBMFYSA-N 2 0 250.361 2.791 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1Br ZINC000414787260 533717701 /nfs/dbraw/zinc/71/77/01/533717701.db2.gz CCCYJNIPCYEGMN-TZMCWYRMSA-N 2 0 297.240 2.975 20 0 CFADRP Brc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000168707462 518213017 /nfs/dbraw/zinc/21/30/17/518213017.db2.gz XWEXYWWIWWIUOR-CYBMUJFWSA-N 2 0 283.213 2.681 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC000070359144 519805050 /nfs/dbraw/zinc/80/50/50/519805050.db2.gz VWTWXWIDXGIRFK-IKGGRYGDSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1nccc(C2C[NH2+]C2)n1 ZINC001243334550 782141656 /nfs/dbraw/zinc/14/16/56/782141656.db2.gz AZECNDASVHERLQ-UHFFFAOYSA-N 2 0 296.418 2.672 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-c1ncc2c(n1)C[NH2+]CC2 ZINC001243334454 782141343 /nfs/dbraw/zinc/14/13/43/782141343.db2.gz DKFPIIGYYNAIDT-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP CCSCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000302405366 521704988 /nfs/dbraw/zinc/70/49/88/521704988.db2.gz PFXRWMRGBJLGBE-UONOGXRCSA-N 2 0 250.411 2.864 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)CCCC[NH3+])ccc1C ZINC000422776757 533767801 /nfs/dbraw/zinc/76/78/01/533767801.db2.gz DVPTXVNGGKIEMI-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]CCCc1c(F)cccc1Cl ZINC000414871050 533769270 /nfs/dbraw/zinc/76/92/70/533769270.db2.gz CRGGSFAEXUSWMT-JTQLQIEISA-N 2 0 258.768 2.596 20 0 CFADRP COc1cc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000423126106 533770053 /nfs/dbraw/zinc/77/00/53/533770053.db2.gz AQVCCDWLGMBCLL-JSGCOSHPSA-N 2 0 282.815 2.608 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000423296736 533772098 /nfs/dbraw/zinc/77/20/98/533772098.db2.gz HPNVEELFYOIDCZ-UWVGGRQHSA-N 2 0 276.302 2.831 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414863671 533786687 /nfs/dbraw/zinc/78/66/87/533786687.db2.gz YBAQENVABWKBGF-CQSZACIVSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422725907 533787247 /nfs/dbraw/zinc/78/72/47/533787247.db2.gz CMIQMVYHIPUMLS-VYDXJSESSA-N 2 0 289.467 2.703 20 0 CFADRP C[C@H]([NH2+]C/C=C\c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423165030 533788129 /nfs/dbraw/zinc/78/81/29/533788129.db2.gz XPGNTYVWQXZVBQ-QUCGXOGASA-N 2 0 295.224 2.660 20 0 CFADRP C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000414844794 533788606 /nfs/dbraw/zinc/78/86/06/533788606.db2.gz CVEOXAIMQLXYDZ-GBJFIMJBSA-N 2 0 262.372 2.817 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1C ZINC000414780233 533802589 /nfs/dbraw/zinc/80/25/89/533802589.db2.gz LCPJKJAWMIECCK-DLBZAZTESA-N 2 0 288.435 2.825 20 0 CFADRP CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000300064321 522308224 /nfs/dbraw/zinc/30/82/24/522308224.db2.gz RUKOEGFPYRAWOC-DLBZAZTESA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422761426 533829873 /nfs/dbraw/zinc/82/98/73/533829873.db2.gz MMKGRPRZUNAWJW-NONVJHHQSA-N 2 0 287.451 2.841 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](C)Oc1ccccc1 ZINC000422981713 533846824 /nfs/dbraw/zinc/84/68/24/533846824.db2.gz PBOSFGWRLPESDH-KGLIPLIRSA-N 2 0 250.386 2.561 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158907 533844531 /nfs/dbraw/zinc/84/45/31/533844531.db2.gz XJGKOWLYMKQSPJ-LLVKDONJSA-N 2 0 288.794 2.965 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccc(F)cc1 ZINC000423101908 533851307 /nfs/dbraw/zinc/85/13/07/533851307.db2.gz DOINMUJNQHLLEI-CJNGLKHVSA-N 2 0 281.419 2.536 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000422769490 533860542 /nfs/dbraw/zinc/86/05/42/533860542.db2.gz SZZHRLPKKSCRTA-ZJUUUORDSA-N 2 0 256.777 2.564 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423255894 533866864 /nfs/dbraw/zinc/86/68/64/533866864.db2.gz DCJKXBODPACJJG-JKSUJKDBSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423097042 533871270 /nfs/dbraw/zinc/87/12/70/533871270.db2.gz ACYPWLMCEDIBTL-DOMZBBRYSA-N 2 0 283.847 2.660 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000422789199 533872040 /nfs/dbraw/zinc/87/20/40/533872040.db2.gz BHIJYAVQNJSJLN-KGLIPLIRSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000422704438 533873188 /nfs/dbraw/zinc/87/31/88/533873188.db2.gz PQSNGBGVNBCJSY-ZIAGYGMSSA-N 2 0 289.423 2.591 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000423138470 533873618 /nfs/dbraw/zinc/87/36/18/533873618.db2.gz SVYDHTHUEFOSJC-CHWSQXEVSA-N 2 0 290.386 2.789 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000422772949 533873875 /nfs/dbraw/zinc/87/38/75/533873875.db2.gz ZJCNJYBKKBZGRX-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000422762417 533869461 /nfs/dbraw/zinc/86/94/61/533869461.db2.gz NTXIHMGUGQWXSP-HZSPNIEDSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000422832280 533870282 /nfs/dbraw/zinc/87/02/82/533870282.db2.gz FMRKRKHRCKSITC-DOMZBBRYSA-N 2 0 264.438 2.734 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000422837111 533870494 /nfs/dbraw/zinc/87/04/94/533870494.db2.gz LLHLTVJAWVBAPL-CABCVRRESA-N 2 0 295.496 2.677 20 0 CFADRP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1SC ZINC000414831749 533875736 /nfs/dbraw/zinc/87/57/36/533875736.db2.gz NSKRDEYVSDZRGH-LBPRGKRZSA-N 2 0 280.437 2.506 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000422768524 533883137 /nfs/dbraw/zinc/88/31/37/533883137.db2.gz UQZHGBJAUCOLRJ-CAOSSQGBSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423466823 533884970 /nfs/dbraw/zinc/88/49/70/533884970.db2.gz TYVKSXNZYUJFLT-ZOWXZIJZSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414821425 533886456 /nfs/dbraw/zinc/88/64/56/533886456.db2.gz LFFYKPQZGFOKSK-HJWJTTGWSA-N 2 0 258.409 2.768 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1SC ZINC000415028017 533891382 /nfs/dbraw/zinc/89/13/82/533891382.db2.gz XTGZGWRRNIVDTO-NSHDSACASA-N 2 0 268.426 2.634 20 0 CFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422964501 533902595 /nfs/dbraw/zinc/90/25/95/533902595.db2.gz LYUUMNPZZUNMGP-ARFHVFGLSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414886190 533899940 /nfs/dbraw/zinc/89/99/40/533899940.db2.gz CMXQQNYPQHACGK-CQSZACIVSA-N 2 0 284.407 2.676 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000414880920 533900564 /nfs/dbraw/zinc/90/05/64/533900564.db2.gz KMCNKJHHNIFIJR-GHMZBOCLSA-N 2 0 285.229 2.880 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422839320 533906650 /nfs/dbraw/zinc/90/66/50/533906650.db2.gz ZVXQOYDWPMLBDV-JZXOWHBKSA-N 2 0 287.451 2.633 20 0 CFADRP COc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415037350 533908621 /nfs/dbraw/zinc/90/86/21/533908621.db2.gz MDVYYRCXQNLMNS-JQWIXIFHSA-N 2 0 298.814 2.574 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422765259 533914631 /nfs/dbraw/zinc/91/46/31/533914631.db2.gz KSTUMIWMNZQJRB-KBXCAEBGSA-N 2 0 281.403 2.836 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000414076385 533923269 /nfs/dbraw/zinc/92/32/69/533923269.db2.gz QAKWFHUIJOMFKX-JKIFEVAISA-N 2 0 276.424 2.761 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000445400671 535550346 /nfs/dbraw/zinc/55/03/46/535550346.db2.gz GPDKAJBKFGMVMM-HOTGVXAUSA-N 2 0 270.461 2.854 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422767996 533958372 /nfs/dbraw/zinc/95/83/72/533958372.db2.gz TYULXJVPEVYEHT-CLRIEMFWSA-N 2 0 256.459 2.768 20 0 CFADRP COc1ccccc1/C=C\C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414775086 533959085 /nfs/dbraw/zinc/95/90/85/533959085.db2.gz ZGDFKHLZUZILHY-NTLBYLRVSA-N 2 0 286.419 2.640 20 0 CFADRP COc1ccccc1/C=C\C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414856653 533959505 /nfs/dbraw/zinc/95/95/05/533959505.db2.gz YWGDEQWOFJAXGD-GTBONMDNSA-N 2 0 274.408 2.688 20 0 CFADRP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423345710 533981888 /nfs/dbraw/zinc/98/18/88/533981888.db2.gz GDFRCBHUGDRAHQ-GFCCVEGCSA-N 2 0 280.362 2.795 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000422713489 533982031 /nfs/dbraw/zinc/98/20/31/533982031.db2.gz PVRGXTNHKNJQFY-QMCVQRASSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415035093 533991658 /nfs/dbraw/zinc/99/16/58/533991658.db2.gz KMZYTDIBIAWYCI-DJIMGWMZSA-N 2 0 260.425 2.972 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000425337915 533999851 /nfs/dbraw/zinc/99/98/51/533999851.db2.gz ALXFWWMGCHNCMB-ZIAGYGMSSA-N 2 0 258.475 2.979 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422840480 533999997 /nfs/dbraw/zinc/99/99/97/533999997.db2.gz BOCLRNMRGYGVFZ-HZPDHXFCSA-N 2 0 288.435 2.976 20 0 CFADRP Cc1cc(NCC[C@@H]2CCC[NH2+]C2)c2cc(F)ccc2[nH+]1 ZINC000420207627 534032006 /nfs/dbraw/zinc/03/20/06/534032006.db2.gz QJSJTNAISRSYPV-ZDUSSCGKSA-N 2 0 287.382 2.906 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1Br ZINC000414834170 534059196 /nfs/dbraw/zinc/05/91/96/534059196.db2.gz QJICPMZQJCAMFB-LBPRGKRZSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000423162711 534066556 /nfs/dbraw/zinc/06/65/56/534066556.db2.gz LSZQXZKADTTYDT-HIFRSBDPSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCOc1ccc(F)cc1 ZINC000422827435 534066990 /nfs/dbraw/zinc/06/69/90/534066990.db2.gz DRNLJDBCFTYIPD-PBHICJAKSA-N 2 0 294.414 2.962 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422927637 534068394 /nfs/dbraw/zinc/06/83/94/534068394.db2.gz ZJWCSEMKHMXPRT-CJNGLKHVSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000423133443 534070104 /nfs/dbraw/zinc/07/01/04/534070104.db2.gz KMKJRLVXNFRMJO-IWCQGFGOSA-N 2 0 258.409 2.768 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)nc1 ZINC000414813424 534071362 /nfs/dbraw/zinc/07/13/62/534071362.db2.gz SZYDJMSQNMZBTK-CYBMUJFWSA-N 2 0 255.365 2.700 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1cccc(F)c1)C[NH+](C)C ZINC000425916645 534076923 /nfs/dbraw/zinc/07/69/23/534076923.db2.gz BQXBKDWMSOHHLT-KBPBESRZSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccsc1)C[NH+](C)C ZINC000425929878 534077709 /nfs/dbraw/zinc/07/77/09/534077709.db2.gz HETSZRHEZHFSKE-STQMWFEESA-N 2 0 254.443 2.857 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](C)CCOc2ccccc2F)CC[NH2+]1 ZINC000414682709 534078840 /nfs/dbraw/zinc/07/88/40/534078840.db2.gz RUDBUVOHRDZGCG-KBPBESRZSA-N 2 0 280.387 2.524 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000415015338 534081722 /nfs/dbraw/zinc/08/17/22/534081722.db2.gz YIJNAQXLIQKESJ-AFAVFJNCSA-N 2 0 276.399 2.907 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400996519 534116886 /nfs/dbraw/zinc/11/68/86/534116886.db2.gz JCUHPCCCJBSRON-RKTXRCNFSA-N 2 0 288.435 2.604 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)[NH3+] ZINC000414827802 534148765 /nfs/dbraw/zinc/14/87/65/534148765.db2.gz YKWLJVVTMLTQNK-NWDGAFQWSA-N 2 0 297.830 2.692 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422857152 534160830 /nfs/dbraw/zinc/16/08/30/534160830.db2.gz HBKNIRXZKJMSCW-ZJPYXAASSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000423779724 534166139 /nfs/dbraw/zinc/16/61/39/534166139.db2.gz FULXOXBFLFRBBC-BBRMVZONSA-N 2 0 291.439 2.615 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCC[NH2+]C1 ZINC000414905280 534175514 /nfs/dbraw/zinc/17/55/14/534175514.db2.gz OJWFQJORCJUGQF-HNNXBMFYSA-N 2 0 284.350 2.767 20 0 CFADRP C[C@]1(C[NH2+]Cc2ccc3ncccc3c2)CCC[NH2+]C1 ZINC000414897394 534175692 /nfs/dbraw/zinc/17/56/92/534175692.db2.gz DXXNYVWBYNJDES-KRWDZBQOSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@]1(C[NH2+]CCCc2ccc3c(c2)CCO3)CCC[NH2+]C1 ZINC000414900953 534176571 /nfs/dbraw/zinc/17/65/71/534176571.db2.gz FNIOEJSRILWXKO-GOSISDBHSA-N 2 0 288.435 2.533 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423098603 534180726 /nfs/dbraw/zinc/18/07/26/534180726.db2.gz SMJQPQTUXKBJOY-AEGPPILISA-N 2 0 282.378 2.970 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[N@@H+]1CCCC1(C)C ZINC000423164133 534200634 /nfs/dbraw/zinc/20/06/34/534200634.db2.gz OBCPCXOMZVWZLT-HOTGVXAUSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@@H](C[C@H]1CCC[NH2+]1)N(CCC[NH3+])c1cccc(F)c1 ZINC000415113179 534208485 /nfs/dbraw/zinc/20/84/85/534208485.db2.gz DRZWHGHADMDBKG-DZGCQCFKSA-N 2 0 279.403 2.512 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]CCCC[NH3+])s2)cc1 ZINC000414914880 534217450 /nfs/dbraw/zinc/21/74/50/534217450.db2.gz YAHLGLDGTDKRMP-UHFFFAOYSA-N 2 0 275.421 2.947 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847400 534232031 /nfs/dbraw/zinc/23/20/31/534232031.db2.gz VUKJEPXNPWBXLG-DZGCQCFKSA-N 2 0 264.388 2.736 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423274269 534338410 /nfs/dbraw/zinc/33/84/10/534338410.db2.gz LRKKTMNHIBYAOF-NWDGAFQWSA-N 2 0 296.436 2.575 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888744 534349415 /nfs/dbraw/zinc/34/94/15/534349415.db2.gz NSBATIATIVADSF-CVEARBPZSA-N 2 0 271.364 2.568 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000423134545 534389949 /nfs/dbraw/zinc/38/99/49/534389949.db2.gz MLTWONSESWKOMW-XWTMOSNGSA-N 2 0 294.483 2.686 20 0 CFADRP CC(C)(C)c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000334783723 518996762 /nfs/dbraw/zinc/99/67/62/518996762.db2.gz AJCLEPKVYBGIAW-UHFFFAOYSA-N 2 0 277.412 2.548 20 0 CFADRP FC(F)(F)Oc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414829527 534406508 /nfs/dbraw/zinc/40/65/08/534406508.db2.gz KSZMIDYHTBJNCB-NSHDSACASA-N 2 0 288.313 2.674 20 0 CFADRP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305145612 519223209 /nfs/dbraw/zinc/22/32/09/519223209.db2.gz RTEDRZXGZURHFV-INIZCTEOSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc(-c2cccc(C[NH+](C)C)c2)n1 ZINC000339399605 519371434 /nfs/dbraw/zinc/37/14/34/519371434.db2.gz YVYXDKVZALRBLX-AWEZNQCLSA-N 2 0 288.395 2.844 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000361014923 519417399 /nfs/dbraw/zinc/41/73/99/519417399.db2.gz XXZAPLKLTGQVHJ-SJORKVTESA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@@H]1CCOC1)C(C)C ZINC000155819068 519643919 /nfs/dbraw/zinc/64/39/19/519643919.db2.gz GDZJXMITDNRPFC-LSDHHAIUSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)[C@H]1CCOC1)C(C)C ZINC000155819281 519643927 /nfs/dbraw/zinc/64/39/27/519643927.db2.gz GDZJXMITDNRPFC-GJZGRUSLSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)C ZINC000157234079 519648545 /nfs/dbraw/zinc/64/85/45/519648545.db2.gz HEKOLAHGQNPKMO-IAGOWNOFSA-N 2 0 275.440 2.840 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414838244 534443459 /nfs/dbraw/zinc/44/34/59/534443459.db2.gz VFNXPRSGUCUUNS-SNVBAGLBSA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)CCCC2CCOCC2)CC1 ZINC000361465794 519670568 /nfs/dbraw/zinc/67/05/68/519670568.db2.gz ONDDGGUTGFHVRR-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000306538034 519694773 /nfs/dbraw/zinc/69/47/73/519694773.db2.gz MAAFHPJVCQWBGD-IRXDYDNUSA-N 2 0 258.409 2.849 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000361930256 519720521 /nfs/dbraw/zinc/72/05/21/519720521.db2.gz PNQXWXVSJVXDAX-CQSZACIVSA-N 2 0 264.413 2.921 20 0 CFADRP CC(C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000052380775 519726917 /nfs/dbraw/zinc/72/69/17/519726917.db2.gz KSTUBAQNKRKRHX-GASCZTMLSA-N 2 0 276.424 2.794 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000085399703 519760921 /nfs/dbraw/zinc/76/09/21/519760921.db2.gz XFYKOVLMJVDAQO-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000222074158 519779885 /nfs/dbraw/zinc/77/98/85/519779885.db2.gz DMXOIABSOCMCGM-WMLDXEAASA-N 2 0 276.424 2.904 20 0 CFADRP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305167660 519813826 /nfs/dbraw/zinc/81/38/26/519813826.db2.gz SURVKOOLBVYCPN-KRWDZBQOSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)[C@H](C[NH2+]C1CCC(C)(C)CC1)N1CC[NH+](C)CC1 ZINC000079652214 519815976 /nfs/dbraw/zinc/81/59/76/519815976.db2.gz DMAOOHLFORWARC-KRWDZBQOSA-N 2 0 295.515 2.817 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183792378 519843176 /nfs/dbraw/zinc/84/31/76/519843176.db2.gz QSITZVGQXKDSKH-CQSZACIVSA-N 2 0 298.471 2.818 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCc2ccncc2)CC1 ZINC000360455224 519843842 /nfs/dbraw/zinc/84/38/42/519843842.db2.gz MLDBDNXGSVUQLH-UHFFFAOYSA-N 2 0 275.440 2.820 20 0 CFADRP CCC1CCC(C[NH2+][C@@H](CCC[NH3+])COC)CC1 ZINC000232884209 519852038 /nfs/dbraw/zinc/85/20/38/519852038.db2.gz KGEAMLYUQCFBLU-NRXISQOPSA-N 2 0 256.434 2.546 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000053659226 519914510 /nfs/dbraw/zinc/91/45/10/519914510.db2.gz INMDUSSKHWJMSL-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP Fc1ccc(/C=C/C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC000414763828 534459638 /nfs/dbraw/zinc/45/96/38/534459638.db2.gz COBPWRAYRNWQCV-NUKKAUTMSA-N 2 0 292.373 2.909 20 0 CFADRP CCOC[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309763901 520077375 /nfs/dbraw/zinc/07/73/75/520077375.db2.gz YVWSYBSUKKLDET-AEFFLSMTSA-N 2 0 290.451 2.913 20 0 CFADRP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000414823942 534467460 /nfs/dbraw/zinc/46/74/60/534467460.db2.gz FGMYJFYGZZDKDL-JTQLQIEISA-N 2 0 290.304 2.934 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000072858145 520249444 /nfs/dbraw/zinc/24/94/44/520249444.db2.gz XHDMTEHUQHNLIW-KRWDZBQOSA-N 2 0 298.434 2.646 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000087708570 520362705 /nfs/dbraw/zinc/36/27/05/520362705.db2.gz SWFQKLKOYBTPBV-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)C1(C)C ZINC000085379483 520366014 /nfs/dbraw/zinc/36/60/14/520366014.db2.gz QRLVERLQBCFXQC-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000423189693 534491989 /nfs/dbraw/zinc/49/19/89/534491989.db2.gz QZLLKROEBMBMKL-DYVFJYSZSA-N 2 0 292.398 2.635 20 0 CFADRP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423220014 534495317 /nfs/dbraw/zinc/49/53/17/534495317.db2.gz XQKYCGSRGGZDBQ-MLGOLLRUSA-N 2 0 262.372 2.866 20 0 CFADRP CC[NH+](CC)CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000191599358 520608037 /nfs/dbraw/zinc/60/80/37/520608037.db2.gz BVMOXXBXSMKDPN-GOSISDBHSA-N 2 0 289.467 2.707 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000191795114 520609346 /nfs/dbraw/zinc/60/93/46/520609346.db2.gz RYJLUESBNPCLEU-QGZVFWFLSA-N 2 0 281.488 2.526 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccco1 ZINC000360856112 520869299 /nfs/dbraw/zinc/86/92/99/520869299.db2.gz GLFUSZDFYKLBRL-BZUAXINKSA-N 2 0 293.455 2.592 20 0 CFADRP CC1CC[NH+](CCN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000366196708 521007589 /nfs/dbraw/zinc/00/75/89/521007589.db2.gz PPVQAXWTGRRJEF-GOSISDBHSA-N 2 0 293.499 2.526 20 0 CFADRP CC[N@H+](CCCc1ccc(C)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000339411641 521042246 /nfs/dbraw/zinc/04/22/46/521042246.db2.gz ZTEKJJLDKKSKLQ-QGZVFWFLSA-N 2 0 275.440 2.787 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(OC)CCCC2)C1 ZINC000361573070 521491184 /nfs/dbraw/zinc/49/11/84/521491184.db2.gz XDKPQKWJFOEODB-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CCOc1ccccc1OCC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000088399424 521564912 /nfs/dbraw/zinc/56/49/12/521564912.db2.gz ARAYHJXRAZCAKQ-CQSZACIVSA-N 2 0 292.423 2.523 20 0 CFADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000088399411 521565477 /nfs/dbraw/zinc/56/54/77/521565477.db2.gz XBIHISOXLNDBIW-HUUCEWRRSA-N 2 0 292.423 2.523 20 0 CFADRP CCC(CC)[C@@H](C[NH2+][C@@H]1CCOC[C@@H]1C)[NH+]1CCCC1 ZINC000192465931 521604588 /nfs/dbraw/zinc/60/45/88/521604588.db2.gz YFDPFYNGEOMFMB-USXIJHARSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2C)C1 ZINC000339220570 521617827 /nfs/dbraw/zinc/61/78/27/521617827.db2.gz NLQUQQFQEDNXQG-ZDUSSCGKSA-N 2 0 252.427 2.878 20 0 CFADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CC1 ZINC000191391435 521653317 /nfs/dbraw/zinc/65/33/17/521653317.db2.gz IDFHTAFEZXPCSO-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCCCC2)[C@H](C)C1 ZINC000305134753 521714841 /nfs/dbraw/zinc/71/48/41/521714841.db2.gz KRMHOEBUWXQULU-HZPDHXFCSA-N 2 0 282.472 2.639 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ncccc3C)CC2)[C@H](C)C1 ZINC000366018171 521714979 /nfs/dbraw/zinc/71/49/79/521714979.db2.gz SFMYURXXUUYQGP-HZPDHXFCSA-N 2 0 287.451 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)C1 ZINC000085400642 521717779 /nfs/dbraw/zinc/71/77/79/521717779.db2.gz XFSMSIZQXGMERO-OAGGEKHMSA-N 2 0 282.472 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000360839717 521717792 /nfs/dbraw/zinc/71/77/92/521717792.db2.gz YRFAOHINVYIARU-RHSMWYFYSA-N 2 0 273.424 2.854 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000361543432 521761793 /nfs/dbraw/zinc/76/17/93/521761793.db2.gz OKLFASXSIFLZPW-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP [NH3+]CCCC[NH2+]CCCc1c(F)cccc1Cl ZINC000414901204 534605109 /nfs/dbraw/zinc/60/51/09/534605109.db2.gz ISLDNNOCZKALFN-UHFFFAOYSA-N 2 0 258.768 2.740 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000414914534 534605502 /nfs/dbraw/zinc/60/55/02/534605502.db2.gz XQRLPHDANSTZOS-UHFFFAOYSA-N 2 0 278.730 2.770 20 0 CFADRP [NH3+]CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414904566 534605744 /nfs/dbraw/zinc/60/57/44/534605744.db2.gz MYRMNMSUCDKKKE-AYHJJNSGSA-N 3 0 287.451 2.511 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414910342 534606086 /nfs/dbraw/zinc/60/60/86/534606086.db2.gz SDDWJUISVIUGCT-UHFFFAOYSA-N 2 0 262.397 2.837 20 0 CFADRP [NH3+]CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423197418 534616538 /nfs/dbraw/zinc/61/65/38/534616538.db2.gz ZHKRUNIXOHSIAY-NSHDSACASA-N 2 0 289.242 2.900 20 0 CFADRP COc1cc(C)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000156751781 522189946 /nfs/dbraw/zinc/18/99/46/522189946.db2.gz KFIZKLVBBGXKHJ-HNNXBMFYSA-N 2 0 294.439 2.817 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000234755405 522289223 /nfs/dbraw/zinc/28/92/23/522289223.db2.gz YFMNSVUSKRKVJP-OCCSQVGLSA-N 2 0 280.437 2.567 20 0 CFADRP COC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C1CC1 ZINC000155849281 522350961 /nfs/dbraw/zinc/35/09/61/522350961.db2.gz YEZQGGLJCVLXIT-OAHLLOKOSA-N 2 0 256.434 2.510 20 0 CFADRP COC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C(C)C ZINC000155835968 522352355 /nfs/dbraw/zinc/35/23/55/522352355.db2.gz HZEUUKHMCJTDOI-OAHLLOKOSA-N 2 0 258.450 2.756 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422782480 534635020 /nfs/dbraw/zinc/63/50/20/534635020.db2.gz NDAZGRWBNJSORO-BHYGNILZSA-N 2 0 290.451 2.615 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000227495142 522570320 /nfs/dbraw/zinc/57/03/20/522570320.db2.gz YHNBBJCDYYSRNV-AWEZNQCLSA-N 2 0 279.403 2.993 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)C1(C(=O)OC)CCC1 ZINC000353541732 522584208 /nfs/dbraw/zinc/58/42/08/522584208.db2.gz KYRGKGYPFZLWDS-HNNXBMFYSA-N 2 0 296.455 2.574 20 0 CFADRP CC[C@@H](COC)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000156226408 522591691 /nfs/dbraw/zinc/59/16/91/522591691.db2.gz GTSIQLAAUNJDBG-RDJZCZTQSA-N 2 0 278.440 2.912 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309690631 522592037 /nfs/dbraw/zinc/59/20/37/522592037.db2.gz CVHYYFXYLCBQFT-ROUUACIJSA-N 2 0 290.451 2.913 20 0 CFADRP C[N@H+](CCCCC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000311431022 522727971 /nfs/dbraw/zinc/72/79/71/522727971.db2.gz PVHOQKYFQCYEHN-INIZCTEOSA-N 2 0 268.445 2.657 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000157561005 522729516 /nfs/dbraw/zinc/72/95/16/522729516.db2.gz FPZGBZBERZOFQS-KRWDZBQOSA-N 2 0 280.456 2.798 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1F ZINC000215516309 522904384 /nfs/dbraw/zinc/90/43/84/522904384.db2.gz OONDZZFLLKZWGJ-QFWMXSHPSA-N 2 0 266.360 2.755 20 0 CFADRP COCc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000088555235 523043824 /nfs/dbraw/zinc/04/38/24/523043824.db2.gz NWRHUOXIWQYQFT-SFHVURJKSA-N 2 0 288.435 2.797 20 0 CFADRP Cc1cccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])n1 ZINC000423100167 534688995 /nfs/dbraw/zinc/68/89/95/534688995.db2.gz GLXLSSCUGSLGNU-APWZRJJASA-N 2 0 297.446 2.871 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000423094726 534711434 /nfs/dbraw/zinc/71/14/34/534711434.db2.gz KPQIDHKAGOKASJ-MIGQKNRLSA-N 2 0 262.372 2.931 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]CCC1CCCCC1 ZINC000361544713 523585730 /nfs/dbraw/zinc/58/57/30/523585730.db2.gz WXUBXTWNUYKEJL-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414990275 534725233 /nfs/dbraw/zinc/72/52/33/534725233.db2.gz IDVLPIPKIGNPQD-KBPBESRZSA-N 2 0 298.377 2.938 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160919797 523764383 /nfs/dbraw/zinc/76/43/83/523764383.db2.gz AKZKCSMQEPVTGZ-UHFFFAOYSA-N 2 0 270.779 2.911 20 0 CFADRP Cn1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2ccccc2)n1 ZINC000414835411 534734744 /nfs/dbraw/zinc/73/47/44/534734744.db2.gz INGOAHREFVSRBZ-OAHLLOKOSA-N 2 0 298.434 2.566 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC000158614337 523857606 /nfs/dbraw/zinc/85/76/06/523857606.db2.gz SIJNOFLKPHHYIS-HOTGVXAUSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC000336269998 523995087 /nfs/dbraw/zinc/99/50/87/523995087.db2.gz BMZYLUPEAQFJSH-INIZCTEOSA-N 2 0 278.827 2.910 20 0 CFADRP CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000076443271 524003666 /nfs/dbraw/zinc/00/36/66/524003666.db2.gz PUOPQGXKGNTQDB-RDJZCZTQSA-N 2 0 260.425 2.939 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000328190093 524049768 /nfs/dbraw/zinc/04/97/68/524049768.db2.gz CTXZFQHUIWRUID-UHFFFAOYSA-N 2 0 282.815 2.819 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361896664 524052755 /nfs/dbraw/zinc/05/27/55/524052755.db2.gz KWKZSBUNFOBJTD-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000045663452 524091116 /nfs/dbraw/zinc/09/11/16/524091116.db2.gz VJNJISDENMAZPI-CYBMUJFWSA-N 2 0 250.386 2.688 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCOc1ccccc1 ZINC000310912109 524137739 /nfs/dbraw/zinc/13/77/39/524137739.db2.gz QXEIUPQYBJRUQL-CQSZACIVSA-N 2 0 250.386 2.563 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000310868149 524153438 /nfs/dbraw/zinc/15/34/38/524153438.db2.gz LNXBXDSXWMIUSK-STQMWFEESA-N 2 0 250.386 2.863 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000310867827 524155733 /nfs/dbraw/zinc/15/57/33/524155733.db2.gz LNXBXDSXWMIUSK-OLZOCXBDSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049553254 524234001 /nfs/dbraw/zinc/23/40/01/524234001.db2.gz NDBTUEFUCUGWPI-KGLIPLIRSA-N 2 0 264.413 2.643 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335045016 524313264 /nfs/dbraw/zinc/31/32/64/524313264.db2.gz XGSPBRHHHKJOKT-WFASDCNBSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@H]1CC[C@@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)O1 ZINC000191029381 524351646 /nfs/dbraw/zinc/35/16/46/524351646.db2.gz ZXICVIHCWZFPDG-HOCLYGCPSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H](C)CCC[NH3+])c21 ZINC000422708613 534777834 /nfs/dbraw/zinc/77/78/34/534777834.db2.gz BZYCEDAJYRNMPC-CYBMUJFWSA-N 2 0 259.397 2.736 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000334866333 524388270 /nfs/dbraw/zinc/38/82/70/524388270.db2.gz VFUAACUFRSWNGT-MSOLQXFVSA-N 2 0 288.435 2.713 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000221748417 524421993 /nfs/dbraw/zinc/42/19/93/524421993.db2.gz HIQONKQDXGLHCH-SQWLQELKSA-N 2 0 276.424 2.556 20 0 CFADRP C[C@@H](CCCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000168241268 524463069 /nfs/dbraw/zinc/46/30/69/524463069.db2.gz PFGRVSOBDXJECX-AWEZNQCLSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335017530 524530445 /nfs/dbraw/zinc/53/04/45/524530445.db2.gz YTAWTNVIZLVKFZ-CJNGLKHVSA-N 2 0 273.424 2.522 20 0 CFADRP Cc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Cl ZINC000228409280 524575173 /nfs/dbraw/zinc/57/51/73/524575173.db2.gz VJOABRHWATZLGK-UHFFFAOYSA-N 2 0 252.789 2.880 20 0 CFADRP Cc1csc(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000422913731 534801221 /nfs/dbraw/zinc/80/12/21/534801221.db2.gz ZHAJLTGGEIILDE-PBWFPOADSA-N 2 0 279.453 2.647 20 0 CFADRP Cc1ccccc1C1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCOCC1 ZINC000422880570 534801817 /nfs/dbraw/zinc/80/18/17/534801817.db2.gz OMECQGISLIENDF-CVEARBPZSA-N 2 0 290.451 2.759 20 0 CFADRP Cc1csc(CCCC[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000422910238 534803224 /nfs/dbraw/zinc/80/32/24/534803224.db2.gz PXGMUYFWBKGJKP-GFCCVEGCSA-N 2 0 269.458 2.881 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414903284 534807588 /nfs/dbraw/zinc/80/75/88/534807588.db2.gz LPMASFWNRAVIHJ-UHFFFAOYSA-N 2 0 292.471 2.734 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000361757775 524782560 /nfs/dbraw/zinc/78/25/60/524782560.db2.gz ZJVLTNDJHRBJIP-BFYDXBDKSA-N 2 0 276.424 2.692 20 0 CFADRP Cc1ccc(F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000311744334 524806298 /nfs/dbraw/zinc/80/62/98/524806298.db2.gz TYICDBGNPROLNC-OKILXGFUSA-N 2 0 262.372 2.566 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000219869617 524806468 /nfs/dbraw/zinc/80/64/68/524806468.db2.gz VLIIXQUABNBCIP-LBPRGKRZSA-N 2 0 250.361 2.693 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000334841298 524851743 /nfs/dbraw/zinc/85/17/43/524851743.db2.gz GNLMVNBSWYXABQ-AWEZNQCLSA-N 2 0 250.361 2.612 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000129033577 524853451 /nfs/dbraw/zinc/85/34/51/524853451.db2.gz QCBBYJXYKDVTNP-CYBMUJFWSA-N 2 0 264.388 2.956 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000070984146 524859629 /nfs/dbraw/zinc/85/96/29/524859629.db2.gz XDYDQHPANOUOCI-KBPBESRZSA-N 2 0 280.387 2.654 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000168636300 524861719 /nfs/dbraw/zinc/86/17/19/524861719.db2.gz SEMZBOWFOUJEOZ-JSGCOSHPSA-N 2 0 271.364 2.511 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000168655827 524863295 /nfs/dbraw/zinc/86/32/95/524863295.db2.gz USFBSCVHPIDTGR-RYUDHWBXSA-N 2 0 273.355 2.543 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000360948446 524903849 /nfs/dbraw/zinc/90/38/49/524903849.db2.gz SRVVINDDTZVPFN-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(-n2ccnc2)c1 ZINC000361492444 524912460 /nfs/dbraw/zinc/91/24/60/524912460.db2.gz HYIWOBZUSCNODR-VKJFTORMSA-N 2 0 298.434 2.691 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000361519602 524931611 /nfs/dbraw/zinc/93/16/11/524931611.db2.gz ORNOCRJDWHYGQW-OAHLLOKOSA-N 2 0 297.402 2.973 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000050580318 524974630 /nfs/dbraw/zinc/97/46/30/524974630.db2.gz UOWXSBNPDLWZQL-XYPWUTKMSA-N 2 0 262.372 2.849 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCCOc1ccccc1 ZINC000339409403 525236794 /nfs/dbraw/zinc/23/67/94/525236794.db2.gz MEMFSZXTGRCMJT-CABCVRRESA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3ccccc3n2)CC[N@@H+]1C ZINC000360687298 525264800 /nfs/dbraw/zinc/26/48/00/525264800.db2.gz BIKAVCAUTZCFCU-PBHICJAKSA-N 2 0 283.419 2.850 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000173428011 525297000 /nfs/dbraw/zinc/29/70/00/525297000.db2.gz USLRWZYNADYWKD-HOTGVXAUSA-N 2 0 288.435 2.838 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cccnc2)CC[NH+](C)CC1 ZINC000353639446 525338828 /nfs/dbraw/zinc/33/88/28/525338828.db2.gz DCTNUJZPEPBSES-CYBMUJFWSA-N 2 0 279.453 2.560 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(O)c1 ZINC000353519513 525397950 /nfs/dbraw/zinc/39/79/50/525397950.db2.gz MPZYJPDUIAVNHG-LRVUVFPRSA-N 2 0 262.397 2.916 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000364764470 525714504 /nfs/dbraw/zinc/71/45/04/525714504.db2.gz NEIDAJQBHZGNAS-AWEZNQCLSA-N 2 0 268.445 2.534 20 0 CFADRP CSCc1cnc(C[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000339236962 525750110 /nfs/dbraw/zinc/75/01/10/525750110.db2.gz KDGSWODQRSSVJK-UHFFFAOYSA-N 2 0 299.509 2.828 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980923 526058158 /nfs/dbraw/zinc/05/81/58/526058158.db2.gz QZCADKVYXUGZJZ-DZGCQCFKSA-N 2 0 292.398 2.574 20 0 CFADRP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000334980924 526063793 /nfs/dbraw/zinc/06/37/93/526063793.db2.gz QZCADKVYXUGZJZ-HIFRSBDPSA-N 2 0 292.398 2.574 20 0 CFADRP Cc1ccc2cc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)ccc2n1 ZINC000228689296 526231278 /nfs/dbraw/zinc/23/12/78/526231278.db2.gz IVAQEAQYRZJOID-BBRMVZONSA-N 2 0 269.392 2.712 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000361968077 526246880 /nfs/dbraw/zinc/24/68/80/526246880.db2.gz DNSPYSGAQCUELY-FUHWJXTLSA-N 2 0 294.483 2.999 20 0 CFADRP O[C@H](C[NH+]1CCC([NH2+]C2CCCC2)CC1)C1CCCCC1 ZINC000365052699 526270261 /nfs/dbraw/zinc/27/02/61/526270261.db2.gz ICDRYLRWPWNAOA-GOSISDBHSA-N 2 0 294.483 2.924 20 0 CFADRP FCCCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000367446480 526281053 /nfs/dbraw/zinc/28/10/53/526281053.db2.gz FGCHIULIJGERDB-QLFBSQMISA-N 2 0 254.393 2.542 20 0 CFADRP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000165263887 526304157 /nfs/dbraw/zinc/30/41/57/526304157.db2.gz BUTLDTHADXSAHH-ROUUACIJSA-N 2 0 294.483 2.924 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000361009791 526340082 /nfs/dbraw/zinc/34/00/82/526340082.db2.gz UNMLHDMZHFLPNZ-TZMCWYRMSA-N 2 0 281.469 2.704 20 0 CFADRP Fc1ccc(F)c(CC2CC[NH+](C3CC[NH2+]CC3)CC2)c1 ZINC000335009074 526347514 /nfs/dbraw/zinc/34/75/14/526347514.db2.gz JXNOTVOFWVKWQI-UHFFFAOYSA-N 2 0 294.389 2.971 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334941832 526379813 /nfs/dbraw/zinc/37/98/13/526379813.db2.gz KBBREVFCSWKOGI-GOSISDBHSA-N 2 0 297.402 2.516 20 0 CFADRP c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000307564953 526472157 /nfs/dbraw/zinc/47/21/57/526472157.db2.gz DULSPMFNURPKKR-BRWVUGGUSA-N 2 0 256.393 2.603 20 0 CFADRP c1ccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000050952332 526481820 /nfs/dbraw/zinc/48/18/20/526481820.db2.gz BGUXAIGMAWIVFD-UHFFFAOYSA-N 2 0 287.451 2.588 20 0 CFADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360544638 526513846 /nfs/dbraw/zinc/51/38/46/526513846.db2.gz KDMBTKIWMROVJP-IBGZPJMESA-N 2 0 296.414 2.904 20 0 CFADRP c1csc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000336053678 526590536 /nfs/dbraw/zinc/59/05/36/526590536.db2.gz BRGVTZSHRSNVMB-QWHCGFSZSA-N 2 0 250.411 2.885 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423174529 526662047 /nfs/dbraw/zinc/66/20/47/526662047.db2.gz CKCIRBKZBRISMK-HHARLNAUSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)(C)c1nc(C[NH2+]CC2(C)CC[NH2+]CC2)cs1 ZINC000414908478 526864719 /nfs/dbraw/zinc/86/47/19/526864719.db2.gz QZGLSUASSZQQFL-UHFFFAOYSA-N 2 0 281.469 2.920 20 0 CFADRP Clc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000334844838 526983453 /nfs/dbraw/zinc/98/34/53/526983453.db2.gz VRUPCXKPGOCJSX-NHYWBVRUSA-N 2 0 264.800 2.917 20 0 CFADRP Clc1cnccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000088782508 526999392 /nfs/dbraw/zinc/99/93/92/526999392.db2.gz AHZXZKASZPTPIB-HNNXBMFYSA-N 2 0 279.815 2.699 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000219721794 527212119 /nfs/dbraw/zinc/21/21/19/527212119.db2.gz UFVUVPRRIQFZEV-LBPRGKRZSA-N 2 0 288.313 2.756 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335023228 527342410 /nfs/dbraw/zinc/34/24/10/527342410.db2.gz PPLHKWNPHIDDSD-NVXWUHKLSA-N 2 0 269.392 2.984 20 0 CFADRP Cc1[nH+]ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1Cl ZINC000310565260 527352685 /nfs/dbraw/zinc/35/26/85/527352685.db2.gz XHDPIDWHHMGARZ-KOLCDFICSA-N 2 0 253.777 2.938 20 0 CFADRP Cn1cncc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000237934864 527509355 /nfs/dbraw/zinc/50/93/55/527509355.db2.gz WYMKGKBOZCRRSA-UHFFFAOYSA-N 2 0 298.434 2.696 20 0 CFADRP OCCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305335081 527545210 /nfs/dbraw/zinc/54/52/10/527545210.db2.gz NUEHKSMMOHGLLD-BZSNNMDCSA-N 2 0 288.435 2.717 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000335147952 527568766 /nfs/dbraw/zinc/56/87/66/527568766.db2.gz YHWAYBSXRVBQRZ-GXTWGEPZSA-N 2 0 270.380 2.806 20 0 CFADRP CC(C)CC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422920904 527680195 /nfs/dbraw/zinc/68/01/95/527680195.db2.gz NWXLFYVXCMYQFD-HRCADAONSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)CC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422920900 527680376 /nfs/dbraw/zinc/68/03/76/527680376.db2.gz NWXLFYVXCMYQFD-ARFHVFGLSA-N 2 0 282.472 2.805 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c2O1 ZINC000414836941 527777186 /nfs/dbraw/zinc/77/71/86/527777186.db2.gz JVXLPTJLWQFKNX-AWEZNQCLSA-N 2 0 288.435 2.879 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861471 527815110 /nfs/dbraw/zinc/81/51/10/527815110.db2.gz ZLMQTHZYZKJCLF-MRXNPFEDSA-N 2 0 283.419 2.975 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000423206586 527834700 /nfs/dbraw/zinc/83/47/00/527834700.db2.gz GGAXHKUBGXYDLQ-ARFHVFGLSA-N 2 0 280.456 2.704 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422735151 527849324 /nfs/dbraw/zinc/84/93/24/527849324.db2.gz DKQGFZAEQQIMSQ-QAPCUYQASA-N 3 0 289.467 2.616 20 0 CFADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCCCC2)C[C@H]1C ZINC000414843418 527871407 /nfs/dbraw/zinc/87/14/07/527871407.db2.gz OAQRLXJASJBCKD-QLFBSQMISA-N 2 0 296.455 2.606 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCC1 ZINC000423340545 527894447 /nfs/dbraw/zinc/89/44/47/527894447.db2.gz XJQMQDVAQORQCY-LSDHHAIUSA-N 2 0 274.408 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C12CCCCC2 ZINC000423242286 527939633 /nfs/dbraw/zinc/93/96/33/527939633.db2.gz FFADCTAWZRYORJ-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)C12CCC2 ZINC000423433223 527942390 /nfs/dbraw/zinc/94/23/90/527942390.db2.gz WRSAEXGBSIFGTK-YHUYYLMFSA-N 2 0 280.456 2.689 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1(CC)CC ZINC000422834081 527951113 /nfs/dbraw/zinc/95/11/13/527951113.db2.gz HKBIZEHMNMDFIA-CBBWQLFWSA-N 2 0 268.445 2.700 20 0 CFADRP CC1(C[NH2+]Cc2sccc2Cl)CC[NH2+]CC1 ZINC000414904568 527984135 /nfs/dbraw/zinc/98/41/35/527984135.db2.gz NMOCCLRCJNTPKE-UHFFFAOYSA-N 2 0 258.818 2.881 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422811499 528050135 /nfs/dbraw/zinc/05/01/35/528050135.db2.gz PASVLTOKMTUGMB-YLFCFFPRSA-N 2 0 282.472 2.948 20 0 CFADRP CC(C)COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccco1 ZINC000422971495 528100614 /nfs/dbraw/zinc/10/06/14/528100614.db2.gz IUCRINYROYONKA-UONOGXRCSA-N 2 0 268.401 2.710 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1(C)C ZINC000422757441 528130321 /nfs/dbraw/zinc/13/03/21/528130321.db2.gz CYBBCLJCHGNRQM-RRFJBIMHSA-N 2 0 270.461 2.933 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423354415 528131946 /nfs/dbraw/zinc/13/19/46/528131946.db2.gz CWMQXMQFWHGSDY-QLFBSQMISA-N 2 0 268.445 2.558 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(CC)CC ZINC000422831789 528140064 /nfs/dbraw/zinc/14/00/64/528140064.db2.gz DZQKVVGWVPCCOY-YKUJZXIWSA-N 2 0 280.456 2.843 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCCC2 ZINC000422921249 528140603 /nfs/dbraw/zinc/14/06/03/528140603.db2.gz PHVGPMSARIVFEJ-ALILYOIUSA-N 2 0 292.467 2.987 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423242504 528145037 /nfs/dbraw/zinc/14/50/37/528145037.db2.gz MBTQWCPRAXEQGV-BRWVUGGUSA-N 2 0 275.440 2.527 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccoc2C)C1 ZINC000414394680 528148435 /nfs/dbraw/zinc/14/84/35/528148435.db2.gz GFPXUMNYAWPQAE-INIZCTEOSA-N 2 0 280.412 2.521 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422858840 528151600 /nfs/dbraw/zinc/15/16/00/528151600.db2.gz IYYXVWRWIWPQBH-LSDHHAIUSA-N 2 0 278.440 2.979 20 0 CFADRP CC(C)COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414834573 528153984 /nfs/dbraw/zinc/15/39/84/528153984.db2.gz SSRBYTZVGUHUTM-MRXNPFEDSA-N 2 0 276.424 2.811 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422833436 528171786 /nfs/dbraw/zinc/17/17/86/528171786.db2.gz GWCWQIXWZCHJSD-AQDBYXPISA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)COc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414787953 528172180 /nfs/dbraw/zinc/17/21/80/528172180.db2.gz MDMLVPIAHWNVKG-UHFFFAOYSA-N 2 0 262.397 2.563 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414714923 528172267 /nfs/dbraw/zinc/17/22/67/528172267.db2.gz QPJTWCPUYSSKLZ-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422780372 528199985 /nfs/dbraw/zinc/19/99/85/528199985.db2.gz DBXPUMQFIMEPJY-GJZGRUSLSA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414847242 528225112 /nfs/dbraw/zinc/22/51/12/528225112.db2.gz IIKFXRLJZCCZTC-OAHLLOKOSA-N 2 0 276.424 2.953 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000422966001 528228148 /nfs/dbraw/zinc/22/81/48/528228148.db2.gz MOHUGNDTVFSHBD-AQEOSJORSA-N 3 0 293.499 2.747 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000423538297 528238443 /nfs/dbraw/zinc/23/84/43/528238443.db2.gz FYZVYRNMKLEMBR-SVGFKBNWSA-N 2 0 273.424 2.901 20 0 CFADRP CCN(CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccco1 ZINC000422967822 528245813 /nfs/dbraw/zinc/24/58/13/528245813.db2.gz CPCVFGKBSXAVPJ-GPANFISMSA-N 2 0 293.455 2.770 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H](C)CCC[NH3+])cs1 ZINC000422897239 528272780 /nfs/dbraw/zinc/27/27/80/528272780.db2.gz BQESJLYUYKGRQE-NSHDSACASA-N 2 0 255.431 2.526 20 0 CFADRP CCOc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1OC ZINC000414915778 528274064 /nfs/dbraw/zinc/27/40/64/528274064.db2.gz ZVDCDZPKHAGWPT-UHFFFAOYSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422896773 528274776 /nfs/dbraw/zinc/27/47/76/528274776.db2.gz AYKBVCVFFOLDJQ-GHMZBOCLSA-N 2 0 255.431 2.524 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccsc1 ZINC000422870039 528280048 /nfs/dbraw/zinc/28/00/48/528280048.db2.gz YGHNLKUUAWQUAI-GZBFAFLISA-N 2 0 283.485 2.846 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000422870041 528280883 /nfs/dbraw/zinc/28/08/83/528280883.db2.gz YGHNLKUUAWQUAI-UMVBOHGHSA-N 2 0 283.485 2.846 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861459 528280929 /nfs/dbraw/zinc/28/09/29/528280929.db2.gz MRQQVLIRZDLAFR-VNQPRFMTSA-N 2 0 295.496 2.861 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000422861458 528281237 /nfs/dbraw/zinc/28/12/37/528281237.db2.gz MRQQVLIRZDLAFR-NUEKZKHPSA-N 2 0 295.496 2.861 20 0 CFADRP CC(C)c1nc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cs1 ZINC000423250323 528313839 /nfs/dbraw/zinc/31/38/39/528313839.db2.gz QDFGUZTXKZVUOT-NWDGAFQWSA-N 2 0 267.442 2.917 20 0 CFADRP CCN(CC)c1ncc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414814588 528319356 /nfs/dbraw/zinc/31/93/56/528319356.db2.gz ZIWBMTYZKKBGPQ-OCCSQVGLSA-N 2 0 296.484 2.596 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000420395147 528421637 /nfs/dbraw/zinc/42/16/37/528421637.db2.gz CXGZXBIHGLTRLI-CVEARBPZSA-N 2 0 268.445 2.559 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000414903269 528456931 /nfs/dbraw/zinc/45/69/31/528456931.db2.gz IESBMXUKAPBFEZ-INIZCTEOSA-N 2 0 280.387 2.704 20 0 CFADRP CCN(CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422793635 528457744 /nfs/dbraw/zinc/45/77/44/528457744.db2.gz XFKAKVPFDKHKTE-CABCVRRESA-N 2 0 263.429 2.618 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1Cl ZINC000423110147 528459543 /nfs/dbraw/zinc/45/95/43/528459543.db2.gz UQHILHFUZZLPRW-NSHDSACASA-N 2 0 270.804 2.956 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425363824 528462420 /nfs/dbraw/zinc/46/24/20/528462420.db2.gz WUAQFQXHJYYTTI-KBPBESRZSA-N 2 0 256.459 2.735 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000414807125 528465919 /nfs/dbraw/zinc/46/59/19/528465919.db2.gz QVDVSTNKUMZTNZ-ZFWWWQNUSA-N 2 0 280.387 2.832 20 0 CFADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH3+] ZINC000423196962 528474093 /nfs/dbraw/zinc/47/40/93/528474093.db2.gz XASVPRLGPPLXCA-SNVBAGLBSA-N 2 0 256.777 2.738 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214568 528487388 /nfs/dbraw/zinc/48/73/88/528487388.db2.gz PDLDTCGHRPWTFY-QZTJIDSGSA-N 2 0 290.451 2.817 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)[NH3+] ZINC000423288258 528490392 /nfs/dbraw/zinc/49/03/92/528490392.db2.gz RGBNESSWQLUOCP-CQSZACIVSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422804588 528498068 /nfs/dbraw/zinc/49/80/68/528498068.db2.gz HPISGXCVPGVTQP-VVLHAWIVSA-N 2 0 282.472 2.541 20 0 CFADRP CCC[NH2+]CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000414867255 528509779 /nfs/dbraw/zinc/50/97/79/528509779.db2.gz IAONZFPNEMPIHR-RDJZCZTQSA-N 2 0 281.488 2.619 20 0 CFADRP CCN(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(C)c1 ZINC000422762539 528513188 /nfs/dbraw/zinc/51/31/88/528513188.db2.gz IGJGGJXMXDSPIS-GJZGRUSLSA-N 2 0 263.429 2.537 20 0 CFADRP CCN(CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1C ZINC000422877760 528515198 /nfs/dbraw/zinc/51/51/98/528515198.db2.gz IFMXEFMPBCEDDM-DOTOQJQBSA-N 2 0 289.467 2.799 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1C ZINC000422874507 528517933 /nfs/dbraw/zinc/51/79/33/528517933.db2.gz DAZNAQVKZLABKQ-HOTGVXAUSA-N 2 0 275.440 2.538 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414796135 528532373 /nfs/dbraw/zinc/53/23/73/528532373.db2.gz NQFFUVSPSHMHCA-WFASDCNBSA-N 2 0 252.377 2.720 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000423265290 528533141 /nfs/dbraw/zinc/53/31/41/528533141.db2.gz CSXTVERZEXSPGT-ABAIWWIYSA-N 2 0 270.367 2.859 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000423274369 528578335 /nfs/dbraw/zinc/57/83/35/528578335.db2.gz KFFIZDQKALVZPM-YDHLFZDLSA-N 2 0 264.417 2.632 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000423274367 528578570 /nfs/dbraw/zinc/57/85/70/528578570.db2.gz KFFIZDQKALVZPM-GZBFAFLISA-N 2 0 264.417 2.632 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423465557 528599067 /nfs/dbraw/zinc/59/90/67/528599067.db2.gz WPPQRJJBEGMHNY-IAQYHMDHSA-N 2 0 291.395 2.948 20 0 CFADRP CCCc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423179989 528630334 /nfs/dbraw/zinc/63/03/34/528630334.db2.gz NCXCHIKGOYCFOG-INIZCTEOSA-N 2 0 289.467 2.585 20 0 CFADRP CCCc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000414676648 528634523 /nfs/dbraw/zinc/63/45/23/528634523.db2.gz VSHKUONCQKNYLG-BBWFWOEESA-N 2 0 258.409 2.808 20 0 CFADRP CCCCOc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OC ZINC000414878351 528654575 /nfs/dbraw/zinc/65/45/75/528654575.db2.gz HERYBMGAEYVYIN-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415026273 528655364 /nfs/dbraw/zinc/65/53/64/528655364.db2.gz SKQQHJVDUPOHJP-SHTZXODSSA-N 2 0 276.424 2.940 20 0 CFADRP CCCCOc1ccc(C[NH2+]C[C@H](C)C[NH2+]C)cc1 ZINC000414829418 528676342 /nfs/dbraw/zinc/67/63/42/528676342.db2.gz ASMQLKLHNXWLCU-CQSZACIVSA-N 2 0 264.413 2.811 20 0 CFADRP CCCCOc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1 ZINC000423177156 528688574 /nfs/dbraw/zinc/68/85/74/528688574.db2.gz AMGIWTKFXNAZPE-CYBMUJFWSA-N 2 0 250.386 2.865 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422782030 528688875 /nfs/dbraw/zinc/68/88/75/528688875.db2.gz MMWCXUQYPMVASK-XQQFMLRXSA-N 2 0 250.386 2.862 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)cc1 ZINC000423255637 528719885 /nfs/dbraw/zinc/71/98/85/528719885.db2.gz ALEXGMPGQXFLQL-UONOGXRCSA-N 2 0 264.413 2.982 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423229202 528720089 /nfs/dbraw/zinc/72/00/89/528720089.db2.gz GSIOTJKAAODXQZ-QWHCGFSZSA-N 2 0 250.386 2.863 20 0 CFADRP CCCOc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414829596 528757897 /nfs/dbraw/zinc/75/78/97/528757897.db2.gz LEARMJDQYWGZCG-CQSZACIVSA-N 2 0 262.397 2.565 20 0 CFADRP CCC(CC)c1cc(C[NH2+][C@@H](C)CCC[NH3+])on1 ZINC000422795018 528883957 /nfs/dbraw/zinc/88/39/57/528883957.db2.gz ZLEBXFBUFNHGJL-NSHDSACASA-N 2 0 253.390 2.795 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414813102 528948876 /nfs/dbraw/zinc/94/88/76/528948876.db2.gz SGDFYXHMZRKGKE-UHFFFAOYSA-N 2 0 275.440 2.763 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423290977 528950319 /nfs/dbraw/zinc/95/03/19/528950319.db2.gz GECYPSGRKPDLHX-AWEZNQCLSA-N 2 0 263.429 2.900 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423292192 528951695 /nfs/dbraw/zinc/95/16/95/528951695.db2.gz LXADENYTJSAOMG-SOUVJXGZSA-N 2 0 268.445 2.689 20 0 CFADRP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccnc1 ZINC000422831515 529012034 /nfs/dbraw/zinc/01/20/34/529012034.db2.gz JTTUYTFGDOGKPF-WFVVYAPDSA-N 2 0 273.424 2.694 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)CCCC[NH3+])N1CCCCCC1 ZINC000422968953 529016001 /nfs/dbraw/zinc/01/60/01/529016001.db2.gz YEWMFHIXRUTDMG-SJORKVTESA-N 2 0 283.504 2.994 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423209149 529021298 /nfs/dbraw/zinc/02/12/98/529021298.db2.gz ZSIPJZJFVMNHNE-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423503275 529028861 /nfs/dbraw/zinc/02/88/61/529028861.db2.gz KIKMTMPAAXXLQX-BZSNNMDCSA-N 2 0 290.451 2.945 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCC[NH3+] ZINC000414744210 529030522 /nfs/dbraw/zinc/03/05/22/529030522.db2.gz OGYZZVMAPVDZTM-HNNXBMFYSA-N 2 0 252.377 2.673 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423132587 529176337 /nfs/dbraw/zinc/17/63/37/529176337.db2.gz JLDGVKCZAFGXCV-NXOAAHMSSA-N 2 0 258.409 2.910 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cnn(C)c1 ZINC000423292996 529184929 /nfs/dbraw/zinc/18/49/29/529184929.db2.gz PHDYKCGZEDXJLL-BLLLJJGKSA-N 2 0 272.396 2.681 20 0 CFADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccc(F)cc1F ZINC000422761268 529201027 /nfs/dbraw/zinc/20/10/27/529201027.db2.gz LSLZKBSESJGLEQ-SWLSCSKDSA-N 2 0 286.366 2.759 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccc(OC)c(OC)c1 ZINC000423102380 529205082 /nfs/dbraw/zinc/20/50/82/529205082.db2.gz KCEHCXKCHWKDIL-TZMCWYRMSA-N 2 0 280.412 2.872 20 0 CFADRP CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000422902865 529217092 /nfs/dbraw/zinc/21/70/92/529217092.db2.gz DUSHMVGTPUHZPL-HOTGVXAUSA-N 2 0 283.504 2.994 20 0 CFADRP CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422913284 529217229 /nfs/dbraw/zinc/21/72/29/529217229.db2.gz YCYFKGDNYRNVPC-GTPINHCMSA-N 2 0 295.515 2.994 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414981807 529231192 /nfs/dbraw/zinc/23/11/92/529231192.db2.gz XLNSTMVZVDWINF-GJZGRUSLSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])OC ZINC000423159392 529248320 /nfs/dbraw/zinc/24/83/20/529248320.db2.gz PAAPONAWPUCMPK-OTRWWLKZSA-N 2 0 278.440 2.596 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401001337 529282950 /nfs/dbraw/zinc/28/29/50/529282950.db2.gz BNYSYTOWLBNTNW-QCODTGAPSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Oc1cccc(C)c1 ZINC000422918885 529368800 /nfs/dbraw/zinc/36/88/00/529368800.db2.gz IQPCLJDESABXDL-VNQPRFMTSA-N 2 0 262.397 2.622 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])Oc1cccc(F)c1 ZINC000422848658 529370148 /nfs/dbraw/zinc/37/01/48/529370148.db2.gz KIEMNGNHICURQA-OUCADQQQSA-N 2 0 268.376 2.699 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422848381 529370550 /nfs/dbraw/zinc/37/05/50/529370550.db2.gz JWJDHPMCKAZIHH-BJJXKVORSA-N 2 0 280.387 2.700 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000459663672 535091397 /nfs/dbraw/zinc/09/13/97/535091397.db2.gz XRDMIRMODJHAQW-CQSZACIVSA-N 2 0 297.406 2.833 20 0 CFADRP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443056239 535126965 /nfs/dbraw/zinc/12/69/65/535126965.db2.gz CJKNNQGEXNRLQV-STQMWFEESA-N 2 0 280.416 2.534 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(O)CCCC1 ZINC000449737546 535154616 /nfs/dbraw/zinc/15/46/16/535154616.db2.gz SCSLPEKAPXKUMT-CABCVRRESA-N 2 0 280.456 2.534 20 0 CFADRP CCOc1cccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459722805 535458965 /nfs/dbraw/zinc/45/89/65/535458965.db2.gz CADPRVJJGDBSQS-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000268807272 535474352 /nfs/dbraw/zinc/47/43/52/535474352.db2.gz LCJXZOIDIWWXIF-UHFFFAOYSA-N 2 0 289.398 2.923 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)c1 ZINC000262690716 535481872 /nfs/dbraw/zinc/48/18/72/535481872.db2.gz ZELBJXAYYRUZPG-KRWDZBQOSA-N 2 0 297.402 2.743 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000491646912 535608890 /nfs/dbraw/zinc/60/88/90/535608890.db2.gz VUNGRHVZHSJLTP-FLIBITNWSA-N 2 0 289.423 2.585 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCC2CCCCC2)CC1 ZINC000449744418 535672807 /nfs/dbraw/zinc/67/28/07/535672807.db2.gz HBXQIIKDMFORSJ-UHFFFAOYSA-N 2 0 295.515 2.963 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2C)CC1 ZINC000449751905 535674442 /nfs/dbraw/zinc/67/44/42/535674442.db2.gz LSXZKMSDFJCUJL-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000459399858 535716020 /nfs/dbraw/zinc/71/60/20/535716020.db2.gz BCHSMXVEEWVDLC-KLAILNCOSA-N 2 0 295.515 2.674 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[NH+](C)CC3)c2c1 ZINC000450209140 535833546 /nfs/dbraw/zinc/83/35/46/535833546.db2.gz TYRHRRLNWWGDOO-UHFFFAOYSA-N 2 0 255.365 2.549 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[NH+](CCOC)CC3)c2c1 ZINC000450231948 535834031 /nfs/dbraw/zinc/83/40/31/535834031.db2.gz JSLANWYKXCSYEA-UHFFFAOYSA-N 2 0 299.418 2.566 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658551 535877286 /nfs/dbraw/zinc/87/72/86/535877286.db2.gz KWIGDCBNXYTOLF-XJKSGUPXSA-N 2 0 273.380 2.629 20 0 CFADRP CC[C@]1(C)CC[NH+](CC(O)C[N@H+]2CC[C@@](C)(CC)C2)C1 ZINC000447302320 535909304 /nfs/dbraw/zinc/90/93/04/535909304.db2.gz PEROXQUPSBQLGX-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443066442 536169438 /nfs/dbraw/zinc/16/94/38/536169438.db2.gz FAAZUGMJLOOTLI-KRWDZBQOSA-N 2 0 260.425 2.852 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452056499 536370345 /nfs/dbraw/zinc/37/03/45/536370345.db2.gz WSMAHVUUNKBMHV-BPKGMFCQSA-N 2 0 262.441 2.839 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459567293 536370558 /nfs/dbraw/zinc/37/05/58/536370558.db2.gz VLQIEHSJHKPCMA-PBHICJAKSA-N 2 0 296.455 2.524 20 0 CFADRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459743215 536890785 /nfs/dbraw/zinc/89/07/85/536890785.db2.gz WXUGVVIUYAGQLD-HNNXBMFYSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000342153608 536897908 /nfs/dbraw/zinc/89/79/08/536897908.db2.gz ZNTMFCGNMQRUEV-IUODEOHRSA-N 2 0 292.423 2.585 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000268787622 537013113 /nfs/dbraw/zinc/01/31/13/537013113.db2.gz FHXYXHVWZHDIID-GJZGRUSLSA-N 2 0 288.435 2.799 20 0 CFADRP COc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459724982 537047785 /nfs/dbraw/zinc/04/77/85/537047785.db2.gz FLKZBYGZTRENBS-AWEZNQCLSA-N 2 0 262.397 2.517 20 0 CFADRP COC(=O)C1(C)CCC([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CC1 ZINC001168771597 782172929 /nfs/dbraw/zinc/17/29/29/782172929.db2.gz YZJMBQPCNGZNKW-BMTQEXENSA-N 2 0 296.455 2.571 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000746493725 574151491 /nfs/dbraw/zinc/15/14/91/574151491.db2.gz CFOQJDWIDVDLRH-AWEZNQCLSA-N 2 0 254.494 2.528 20 0 CFADRP Cc1cccc(CC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000415115060 574207959 /nfs/dbraw/zinc/20/79/59/574207959.db2.gz YHKNQBJMBVRNDO-NVXWUHKLSA-N 2 0 275.440 2.833 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)C1CC[NH+](C)CC1 ZINC000396443758 574292263 /nfs/dbraw/zinc/29/22/63/574292263.db2.gz ATXINRAFITYJCS-GDBMZVCRSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+][C@H]1COCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396440191 574292444 /nfs/dbraw/zinc/29/24/44/574292444.db2.gz KPKFCPCCLXNUOK-GUYCJALGSA-N 2 0 274.408 2.578 20 0 CFADRP COc1ccc(OC)c(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000396450804 574355295 /nfs/dbraw/zinc/35/52/95/574355295.db2.gz ITRMNYDZGGZWKD-ZDUSSCGKSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000743249071 574355779 /nfs/dbraw/zinc/35/57/79/574355779.db2.gz FQAMDOOWHPTKOD-MRXNPFEDSA-N 2 0 290.451 2.927 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCCCCCO)CC1 ZINC000743846651 574373626 /nfs/dbraw/zinc/37/36/26/574373626.db2.gz SZBAVWWUMGITGK-UHFFFAOYSA-N 2 0 284.488 2.981 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000743850924 574374072 /nfs/dbraw/zinc/37/40/72/574374072.db2.gz WMODXZGXHZHIPH-SJLPKXTDSA-N 2 0 290.451 2.610 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000091543909 618128668 /nfs/dbraw/zinc/12/86/68/618128668.db2.gz PMLUICICIYJFCA-FXAINCCUSA-N 2 0 253.415 2.538 20 0 CFADRP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(Br)nc1 ZINC000925736574 619046565 /nfs/dbraw/zinc/04/65/65/619046565.db2.gz BRGRRJYRHOQIQG-SECBINFHSA-N 2 0 286.217 2.622 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924773292 620652688 /nfs/dbraw/zinc/65/26/88/620652688.db2.gz JPWCNKSOLUFKLS-MGLUKCQKSA-N 2 0 268.445 2.652 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051694519 618049037 /nfs/dbraw/zinc/04/90/37/618049037.db2.gz FGXUWJUXQQGWHJ-UHFFFAOYSA-N 2 0 262.397 2.833 20 0 CFADRP COCc1cc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)ccc1OC ZINC000051693810 618049312 /nfs/dbraw/zinc/04/93/12/618049312.db2.gz QFKNXHOENSRJIK-UWTIGNOOSA-N 2 0 292.423 2.762 20 0 CFADRP CCCn1c(C[NH2+]C2CCC([NH3+])CC2)nc2ccccc21 ZINC000051694506 618049353 /nfs/dbraw/zinc/04/93/53/618049353.db2.gz HWMKGAODDAJUQF-UHFFFAOYSA-N 2 0 286.423 2.806 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CNc1ccccn1 ZINC000900954472 620736873 /nfs/dbraw/zinc/73/68/73/620736873.db2.gz IHYSUIZMHFBESJ-UHFFFAOYSA-N 2 0 298.390 2.502 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261960337 617660699 /nfs/dbraw/zinc/66/06/99/617660699.db2.gz HGMLKLQTHSEMOP-UHFFFAOYSA-N 2 0 262.372 2.710 20 0 CFADRP C[C@@H](CNC(=[NH2+])Nc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000066243096 617681148 /nfs/dbraw/zinc/68/11/48/617681148.db2.gz ACTMFDKZCAEKJT-KBPBESRZSA-N 2 0 274.412 2.886 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000891612334 617685820 /nfs/dbraw/zinc/68/58/20/617685820.db2.gz WJDVDEGOVUQAIS-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP Cc1nccn1CC[N@@H+](C)Cc1c(C)cccc1C ZINC000933764085 617771099 /nfs/dbraw/zinc/77/10/99/617771099.db2.gz KZWNWTLCVYRNHC-UHFFFAOYSA-N 2 0 257.381 2.940 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000843343339 617810703 /nfs/dbraw/zinc/81/07/03/617810703.db2.gz SHBUIHRSCDOMIF-LBPRGKRZSA-N 2 0 264.369 2.585 20 0 CFADRP CCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891904028 617815890 /nfs/dbraw/zinc/81/58/90/617815890.db2.gz CDKITOAZVMZMGP-UHFFFAOYSA-N 2 0 291.439 2.522 20 0 CFADRP C[C@H]1Cc2cc(C[N@H+](C)CC3CC[NH+](C)CC3)ccc2O1 ZINC000891933503 617835174 /nfs/dbraw/zinc/83/51/74/617835174.db2.gz IEGSYEZDONFXHN-AWEZNQCLSA-N 2 0 288.435 2.784 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000891943694 617842339 /nfs/dbraw/zinc/84/23/39/617842339.db2.gz UQEJLSBEZNQANE-MRXNPFEDSA-N 2 0 276.399 2.957 20 0 CFADRP CCCCCC[C@H](C)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000843348871 617853248 /nfs/dbraw/zinc/85/32/48/617853248.db2.gz TZPQSVJVRKOARZ-LSDHHAIUSA-N 2 0 297.487 2.521 20 0 CFADRP C([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311396 617877832 /nfs/dbraw/zinc/87/78/32/617877832.db2.gz YCGYPWCOQXWPJG-SJLPKXTDSA-N 2 0 292.467 2.656 20 0 CFADRP COc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1Cl ZINC000258974027 617910555 /nfs/dbraw/zinc/91/05/55/617910555.db2.gz UIRMMCWZPJOQTD-UHFFFAOYSA-N 2 0 256.777 2.566 20 0 CFADRP C1C(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1[NH+]1CCCCC1 ZINC000926337414 617918475 /nfs/dbraw/zinc/91/84/75/617918475.db2.gz OJACMMVDRRVVLO-ZGUYJTEBSA-N 2 0 291.483 2.610 20 0 CFADRP Cc1cc(CN2CC[C@@H](C[NH+](C)C)C2)c2c(n1)CCCC2 ZINC000892035170 617920668 /nfs/dbraw/zinc/92/06/68/617920668.db2.gz ZWPQTHUQMYSNKW-HNNXBMFYSA-N 2 0 287.451 2.652 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000892063831 617933172 /nfs/dbraw/zinc/93/31/72/617933172.db2.gz QWSPMGIZTLDHDE-SFHVURJKSA-N 2 0 288.435 2.710 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2nccc3c2CCCC3)CC[N@@H+]1C ZINC000892106050 617954752 /nfs/dbraw/zinc/95/47/52/617954752.db2.gz SMROCOXOPCZMHJ-GDBMZVCRSA-N 2 0 287.451 2.875 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000892110816 617956190 /nfs/dbraw/zinc/95/61/90/617956190.db2.gz GCWOOQGUZYFKSQ-CQSZACIVSA-N 2 0 258.409 2.775 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000892119817 617960484 /nfs/dbraw/zinc/96/04/84/617960484.db2.gz HCOBAJVKRHCCGB-GOSISDBHSA-N 2 0 287.451 2.905 20 0 CFADRP COC1CCC(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000892143586 617971500 /nfs/dbraw/zinc/97/15/00/617971500.db2.gz JQGHGVLVOGXGHD-LXPRWKDFSA-N 2 0 294.483 2.855 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CC2(CCCOC)CCC2)C1 ZINC000892144146 617972330 /nfs/dbraw/zinc/97/23/30/617972330.db2.gz LGYLUERQFXBXHP-INIZCTEOSA-N 2 0 282.472 2.857 20 0 CFADRP CC(C)CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000892154590 617975987 /nfs/dbraw/zinc/97/59/87/617975987.db2.gz ZWCBSVSYLRMQBJ-ZWKOTPCHSA-N 2 0 295.515 2.771 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nccc4c3CCCC4)CC[C@H]21 ZINC000892226372 618015145 /nfs/dbraw/zinc/01/51/45/618015145.db2.gz GNDBAAWSNJVCJP-VQIMIIECSA-N 2 0 299.462 2.877 20 0 CFADRP CC(C)CCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000892233710 618017908 /nfs/dbraw/zinc/01/79/08/618017908.db2.gz JBGBCAMNEMOKCN-BRWVUGGUSA-N 2 0 282.472 2.996 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262079723 618025809 /nfs/dbraw/zinc/02/58/09/618025809.db2.gz SZIVVEHPJVWWHL-UHFFFAOYSA-N 2 0 274.408 2.661 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000054309196 618026446 /nfs/dbraw/zinc/02/64/46/618026446.db2.gz RFBZEGJLFQHASQ-ZWNOBZJWSA-N 2 0 267.442 2.800 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H]1CCOC12CCCC2 ZINC000934398185 618030861 /nfs/dbraw/zinc/03/08/61/618030861.db2.gz XLUNHDKRBGMZFB-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1c(F)cccc1F ZINC000051692986 618048621 /nfs/dbraw/zinc/04/86/21/618048621.db2.gz VKEXRPVLRHATNN-KPPDAEKUSA-N 2 0 254.324 2.885 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-n2ccnc2)cc1 ZINC000051692697 618048607 /nfs/dbraw/zinc/04/86/07/618048607.db2.gz QCPYRBQRSGWKQT-IUDNXUCKSA-N 2 0 284.407 2.793 20 0 CFADRP CCC[N@H+](CC)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261569644 618106625 /nfs/dbraw/zinc/10/66/25/618106625.db2.gz NFOOHGLECVZTPI-JKSUJKDBSA-N 2 0 269.477 2.619 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000261570549 618106682 /nfs/dbraw/zinc/10/66/82/618106682.db2.gz KNCJWWMZZWNHMN-BFHYXJOUSA-N 2 0 268.470 2.782 20 0 CFADRP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(OC)n1 ZINC000926113276 618111333 /nfs/dbraw/zinc/11/13/33/618111333.db2.gz DHPAOWLYWYDGHZ-AWEZNQCLSA-N 2 0 291.439 2.863 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261775915 618139986 /nfs/dbraw/zinc/13/99/86/618139986.db2.gz DZYZYMVXQFDYIC-BBRMVZONSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C(C)(C)O)cc1 ZINC000926470054 618142730 /nfs/dbraw/zinc/14/27/30/618142730.db2.gz JAMKJPMDYZBMKS-UONOGXRCSA-N 2 0 278.440 2.762 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CSc2ccccc21 ZINC000926494501 618157762 /nfs/dbraw/zinc/15/77/62/618157762.db2.gz GXNDKQUZAUVHOC-IAPGTGOOSA-N 2 0 288.460 2.806 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000926151130 618186902 /nfs/dbraw/zinc/18/69/02/618186902.db2.gz RJCOOSHALJZCRT-CYBMUJFWSA-N 2 0 298.402 2.540 20 0 CFADRP CCC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)COC1 ZINC000926541346 618190560 /nfs/dbraw/zinc/19/05/60/618190560.db2.gz ORPXAMFQPLZLBU-CQSZACIVSA-N 2 0 276.424 2.825 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)C12CCC2 ZINC000308402714 618210986 /nfs/dbraw/zinc/21/09/86/618210986.db2.gz YHGVCMCQEFNPFY-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP C1C[C@@H]([NH2+][C@H]2CCCSC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000252979653 618214505 /nfs/dbraw/zinc/21/45/05/618214505.db2.gz IUVPCJVSKDMVBR-BYNSBNAKSA-N 2 0 268.470 2.782 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)C1(Br)CC1 ZINC000926572865 618216870 /nfs/dbraw/zinc/21/68/70/618216870.db2.gz HJMGXJKNPGJHNE-NWDGAFQWSA-N 2 0 289.261 2.624 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC000892418687 618234832 /nfs/dbraw/zinc/23/48/32/618234832.db2.gz SLOPWXDDNSJTAF-UHFFFAOYSA-N 2 0 282.815 2.650 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893291270 618260562 /nfs/dbraw/zinc/26/05/62/618260562.db2.gz MHRJTOZONQNERF-ZDUSSCGKSA-N 2 0 261.413 2.636 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000893292051 618262643 /nfs/dbraw/zinc/26/26/43/618262643.db2.gz QCJXSIUVHYPMCX-QZTJIDSGSA-N 2 0 288.435 2.696 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000893292053 618262951 /nfs/dbraw/zinc/26/29/51/618262951.db2.gz QCJXSIUVHYPMCX-ZWKOTPCHSA-N 2 0 288.435 2.696 20 0 CFADRP Cc1cccc(NCC[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925580288 618264201 /nfs/dbraw/zinc/26/42/01/618264201.db2.gz QXHVHBVKTSJYIV-QGZVFWFLSA-N 2 0 298.434 2.872 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925592553 618278433 /nfs/dbraw/zinc/27/84/33/618278433.db2.gz WTWXZBQXPJYMLZ-JKSUJKDBSA-N 2 0 288.435 2.832 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccc(F)c1F ZINC000925593809 618281626 /nfs/dbraw/zinc/28/16/26/618281626.db2.gz ADFPNTLWWZUUAY-ZAQWFSBCSA-N 2 0 280.362 2.613 20 0 CFADRP CCOc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000894037544 618282549 /nfs/dbraw/zinc/28/25/49/618282549.db2.gz QCXNPEJHLANOFS-CYBMUJFWSA-N 2 0 266.385 2.594 20 0 CFADRP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893304402 618287666 /nfs/dbraw/zinc/28/76/66/618287666.db2.gz NBUQMUFDAZEALL-SUMWQHHRSA-N 2 0 294.414 2.833 20 0 CFADRP CC1CC[NH+](CCCNCc2cnn(C)c2C2CC2)CC1 ZINC000892460012 618296475 /nfs/dbraw/zinc/29/64/75/618296475.db2.gz LVGVUDDMKVPHHH-UHFFFAOYSA-N 2 0 290.455 2.509 20 0 CFADRP CCOc1ccc(CNCCC[NH+]2CCCCC2)o1 ZINC000892460467 618296515 /nfs/dbraw/zinc/29/65/15/618296515.db2.gz DGVZVAZRKJTAJJ-UHFFFAOYSA-N 2 0 266.385 2.644 20 0 CFADRP Cc1ncoc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000894058352 618296883 /nfs/dbraw/zinc/29/68/83/618296883.db2.gz RXFOTYZCUUENGN-UHFFFAOYSA-N 2 0 265.401 2.537 20 0 CFADRP CCN(CCC[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000892461627 618298742 /nfs/dbraw/zinc/29/87/42/618298742.db2.gz FMYPIEJQBLFGKQ-UHFFFAOYSA-N 2 0 289.467 2.834 20 0 CFADRP C[C@]1(Br)C[C@H]1C[NH2+]CCC[NH+]1CCCCC1 ZINC000892461329 618298883 /nfs/dbraw/zinc/29/88/83/618298883.db2.gz GGUJSMAWFKNLJM-STQMWFEESA-N 2 0 289.261 2.626 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925607513 618299139 /nfs/dbraw/zinc/29/91/39/618299139.db2.gz CFXLVHASYAEPPC-SNPRPXQTSA-N 2 0 276.424 2.819 20 0 CFADRP C[C@H]1CC[C@H]1N(c1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110601 618306534 /nfs/dbraw/zinc/30/65/34/618306534.db2.gz QDVQKDVWAPLXRR-ZQDZILKHSA-N 2 0 259.397 2.956 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)COC(C)=O ZINC000892467286 618312410 /nfs/dbraw/zinc/31/24/10/618312410.db2.gz XEYQTEZHUZEZST-CQSZACIVSA-N 2 0 292.423 2.570 20 0 CFADRP COc1ccc2[nH+]ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000894086904 618316914 /nfs/dbraw/zinc/31/69/14/618316914.db2.gz CDEHLUKYKXXNHU-AGUYFDCRSA-N 2 0 297.402 2.702 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925618542 618329698 /nfs/dbraw/zinc/32/96/98/618329698.db2.gz IOGQGAKLMUFHCR-QNWHQSFQSA-N 2 0 272.383 2.931 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000925629112 618355602 /nfs/dbraw/zinc/35/56/02/618355602.db2.gz LPIRNAJTXHCUAF-QKPAOTATSA-N 2 0 280.456 2.830 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000925629553 618358712 /nfs/dbraw/zinc/35/87/12/618358712.db2.gz ODTUUYVEBYJXJS-PMPSAXMXSA-N 2 0 280.456 2.844 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925631981 618359507 /nfs/dbraw/zinc/35/95/07/618359507.db2.gz MQTTXNFXHIHBMG-QGZVFWFLSA-N 3 0 289.467 2.788 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)CC1 ZINC000895148297 618388934 /nfs/dbraw/zinc/38/89/34/618388934.db2.gz SDUTWCIWXLVIQC-OLZOCXBDSA-N 2 0 262.800 2.623 20 0 CFADRP Cc1cnc([C@@H](C)C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925647679 618396036 /nfs/dbraw/zinc/39/60/36/618396036.db2.gz FKNJYKFZZNRGTH-GHYVTOPFSA-N 2 0 293.480 2.921 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H](c2ccccc2)[C@H](C)N)C1 ZINC000925649831 618400726 /nfs/dbraw/zinc/40/07/26/618400726.db2.gz PCNFMEXLGRGZMB-VFNXUKNFSA-N 2 0 276.424 2.870 20 0 CFADRP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000925119809 618411941 /nfs/dbraw/zinc/41/19/41/618411941.db2.gz ZFZNDLFMBDMQBJ-ZBFHGGJFSA-N 2 0 280.456 2.558 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C[C@@H]([NH3+])C1 ZINC000925660273 618420306 /nfs/dbraw/zinc/42/03/06/618420306.db2.gz KKJUZGQYLRTFJT-ILXRZTDVSA-N 2 0 280.456 2.831 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1NCc1ccccc1OC(F)F ZINC000261769561 618425828 /nfs/dbraw/zinc/42/58/28/618425828.db2.gz OMSJLFCMFOQYQW-CYBMUJFWSA-N 2 0 284.350 2.766 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261775924 618427025 /nfs/dbraw/zinc/42/70/25/618427025.db2.gz DZYZYMVXQFDYIC-XJKSGUPXSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2COCC2(C)C)C1 ZINC000894180816 618430376 /nfs/dbraw/zinc/43/03/76/618430376.db2.gz QUJUZZCJXAOUSM-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C[C@H](C)O1 ZINC000925665572 618431998 /nfs/dbraw/zinc/43/19/98/618431998.db2.gz LNOFTNBMBDTHLG-FZKCQIBNSA-N 2 0 280.456 2.844 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925677355 618451917 /nfs/dbraw/zinc/45/19/17/618451917.db2.gz UHEOALHDUFPTMB-HOTGVXAUSA-N 2 0 256.393 2.732 20 0 CFADRP C[C@@]1([NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C[C@H]1c1ccccc1 ZINC000925678567 618455768 /nfs/dbraw/zinc/45/57/68/618455768.db2.gz VUKIUBJMTWJBNA-YHUYYLMFSA-N 2 0 256.393 2.792 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C12CCC2 ZINC000925678572 618456216 /nfs/dbraw/zinc/45/62/16/618456216.db2.gz VWYUXGVMLDUROS-YHUYYLMFSA-N 2 0 256.393 2.650 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1(Cl)Cl ZINC000925681845 618462769 /nfs/dbraw/zinc/46/27/69/618462769.db2.gz QWPYYWTVLMIBSV-LSCVPOLPSA-N 2 0 291.266 2.937 20 0 CFADRP Cc1nn(C(C)C)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895209220 618472902 /nfs/dbraw/zinc/47/29/02/618472902.db2.gz RZETYNFKWXVKBH-GASCZTMLSA-N 2 0 278.444 2.511 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)C1 ZINC000895292291 618511492 /nfs/dbraw/zinc/51/14/92/618511492.db2.gz FJEMUEQSHBEMCN-HRCADAONSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@@H](CC[NH2+]C/C=C\c1ccc(F)cc1)[NH+](C)C ZINC000895296342 618517964 /nfs/dbraw/zinc/51/79/64/618517964.db2.gz GWDXFPDZICFASK-ZFDPJTLLSA-N 2 0 250.361 2.769 20 0 CFADRP C[C@H](CCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000895296198 618518316 /nfs/dbraw/zinc/51/83/16/618518316.db2.gz AJVKWHGYXPDLQN-NUJGCVRESA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H](CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[NH+](C)C ZINC000895296286 618518351 /nfs/dbraw/zinc/51/83/51/618518351.db2.gz FGXKMBDOZVCESG-SOLBZPMBSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@@H](CCNCc1c[nH]c(-c2ccccc2)n1)[NH+](C)C ZINC000895296715 618518863 /nfs/dbraw/zinc/51/88/63/618518863.db2.gz COPCXVSQFVBNHN-ZDUSSCGKSA-N 2 0 272.396 2.507 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@H]1C[C@]1(C)Br ZINC000895305407 618520900 /nfs/dbraw/zinc/52/09/00/618520900.db2.gz XKHXAKFQWGVCJI-MDZLAQPJSA-N 2 0 289.261 2.622 20 0 CFADRP Cc1ccc2c(c1)C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC000895330857 618537663 /nfs/dbraw/zinc/53/76/63/618537663.db2.gz RCCMLLLCLVCRMY-UHFFFAOYSA-N 2 0 258.409 2.695 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2ccoc2)CC1 ZINC000727466756 618542265 /nfs/dbraw/zinc/54/22/65/618542265.db2.gz FJXCWYXYVKVNPY-UHFFFAOYSA-N 2 0 250.386 2.881 20 0 CFADRP c1ncc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000895445402 618590216 /nfs/dbraw/zinc/59/02/16/618590216.db2.gz HKMBTEGELZBPOO-UHFFFAOYSA-N 2 0 298.434 2.802 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2nsc3ccccc32)CC1 ZINC000895448376 618591696 /nfs/dbraw/zinc/59/16/96/618591696.db2.gz NQRZXDDQSMZUIZ-UHFFFAOYSA-N 2 0 289.448 2.770 20 0 CFADRP C[NH+]1CCC(C[N@H+](CCC2CC2)CC2CC2)CC1 ZINC000895460906 618597013 /nfs/dbraw/zinc/59/70/13/618597013.db2.gz RQQXVGPUVJEFSD-UHFFFAOYSA-N 2 0 250.430 2.840 20 0 CFADRP CSC1CC([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000926731009 618611668 /nfs/dbraw/zinc/61/16/68/618611668.db2.gz FSHIQZIUNSHXCP-UHFFFAOYSA-N 2 0 268.470 2.592 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)c2ccccc21 ZINC000236313423 618616622 /nfs/dbraw/zinc/61/66/22/618616622.db2.gz ZOPJCESBJWXZQV-QZTJIDSGSA-N 2 0 264.372 2.888 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000926752836 618635085 /nfs/dbraw/zinc/63/50/85/618635085.db2.gz BYGODMLXVXZZGR-DJIMGWMZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C)(O)CC2)C1 ZINC000892585600 618642724 /nfs/dbraw/zinc/64/27/24/618642724.db2.gz WDNXBHAMYFQXGR-GTPINHCMSA-N 2 0 282.472 2.782 20 0 CFADRP CN(CCCC[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000892657922 618678883 /nfs/dbraw/zinc/67/88/83/618678883.db2.gz GKJRIICVPNMION-UHFFFAOYSA-N 2 0 289.467 2.834 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000926783865 618680312 /nfs/dbraw/zinc/68/03/12/618680312.db2.gz CAHVOAXWDSPBOH-GCDKYVQMSA-N 2 0 292.467 2.510 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000924585530 618691769 /nfs/dbraw/zinc/69/17/69/618691769.db2.gz AKCXPFYLZHCJHC-QAPCUYQASA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccc(CN(C)C[C@@H](C)[NH3+])c2ccccc12 ZINC000311426203 618711196 /nfs/dbraw/zinc/71/11/96/618711196.db2.gz GARNKRAEEPAMKM-GFCCVEGCSA-N 2 0 258.365 2.627 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000892742139 618737548 /nfs/dbraw/zinc/73/75/48/618737548.db2.gz UTOIIJKXVNKEEJ-UHFFFAOYSA-N 2 0 263.429 2.712 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000892745365 618738161 /nfs/dbraw/zinc/73/81/61/618738161.db2.gz OXFXUKLFFVDNJU-UONOGXRCSA-N 2 0 258.475 2.840 20 0 CFADRP Cc1csc(C2([NH2+]CC3CC[NH+](C)CC3)CCC2)n1 ZINC000892841575 618756112 /nfs/dbraw/zinc/75/61/12/618756112.db2.gz BKOHYXZKSRRUKP-UHFFFAOYSA-N 2 0 279.453 2.762 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccsc1)C2 ZINC000852107937 618762507 /nfs/dbraw/zinc/76/25/07/618762507.db2.gz RXIJHYXQFVRVIZ-CQSZACIVSA-N 2 0 250.411 2.666 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)c2c(n1)CCCC2 ZINC000892942911 618776076 /nfs/dbraw/zinc/77/60/76/618776076.db2.gz BGWVQKNXFPPEOI-UHFFFAOYSA-N 2 0 287.451 2.700 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000892976035 618788338 /nfs/dbraw/zinc/78/83/38/618788338.db2.gz VMWFFPYQNRAPFU-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(c3cccc(F)c3)CC2)CC1 ZINC000892993714 618794658 /nfs/dbraw/zinc/79/46/58/618794658.db2.gz REEZVEVNOWKHMT-UHFFFAOYSA-N 2 0 276.399 2.789 20 0 CFADRP CCN(CC)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000309832201 618807221 /nfs/dbraw/zinc/80/72/21/618807221.db2.gz SNFKZHBHQULIAR-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)c2ccccc2n1 ZINC000893071244 618820234 /nfs/dbraw/zinc/82/02/34/618820234.db2.gz NVLIQHYTWZROTP-UHFFFAOYSA-N 2 0 299.418 2.675 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925501403 618822380 /nfs/dbraw/zinc/82/23/80/618822380.db2.gz CEXUHMNRVZQRFE-APIJFGDWSA-N 2 0 280.456 2.687 20 0 CFADRP CSC[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925506735 618835495 /nfs/dbraw/zinc/83/54/95/618835495.db2.gz WXAUTGYOLDSZHL-OCCSQVGLSA-N 2 0 252.427 2.808 20 0 CFADRP COc1ccccc1OCC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925508685 618841554 /nfs/dbraw/zinc/84/15/54/618841554.db2.gz IIOIXWGIFNWTDG-UONOGXRCSA-N 2 0 292.423 2.570 20 0 CFADRP C[NH+](C)C1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CCCCC1 ZINC000925508705 618841592 /nfs/dbraw/zinc/84/15/92/618841592.db2.gz IQJSPBBQIUUFHB-GJZGRUSLSA-N 2 0 281.488 2.747 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2cccs2)C1 ZINC000925510824 618848596 /nfs/dbraw/zinc/84/85/96/618848596.db2.gz ZUGQJVRNPRZUIM-NWDGAFQWSA-N 2 0 252.427 2.786 20 0 CFADRP c1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925512068 618850675 /nfs/dbraw/zinc/85/06/75/618850675.db2.gz YYZGKLQXZLYOQI-KRWDZBQOSA-N 2 0 298.434 2.691 20 0 CFADRP CC(C)COCCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925518510 618856640 /nfs/dbraw/zinc/85/66/40/618856640.db2.gz JBZRXXQZPJIUJM-IRXDYDNUSA-N 2 0 282.472 2.807 20 0 CFADRP Cc1cccc([C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925518985 618857604 /nfs/dbraw/zinc/85/76/04/618857604.db2.gz ATWKMLULWHLGRB-KBMXLJTQSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1cccc([C@@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925523838 618865933 /nfs/dbraw/zinc/86/59/33/618865933.db2.gz VLQHLAPLHBNYSA-GOEBONIOSA-N 2 0 258.409 2.973 20 0 CFADRP CCO[C@@H](CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(C)C ZINC000925525438 618869509 /nfs/dbraw/zinc/86/95/09/618869509.db2.gz CTNMVCAYSHGMMV-FXUDXRNXSA-N 2 0 282.472 2.804 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)nc21 ZINC000925526679 618872880 /nfs/dbraw/zinc/87/28/80/618872880.db2.gz JYGYGBRNTZCAPZ-KBPBESRZSA-N 2 0 285.391 2.538 20 0 CFADRP Cc1cc(F)ncc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000893188401 618872953 /nfs/dbraw/zinc/87/29/53/618872953.db2.gz ZYFYMAKHXZFMQS-UHFFFAOYSA-N 2 0 279.403 2.739 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000925526797 618873367 /nfs/dbraw/zinc/87/33/67/618873367.db2.gz OTBRNYUAJOIYKO-ZIAGYGMSSA-N 2 0 250.361 2.821 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000925527343 618875121 /nfs/dbraw/zinc/87/51/21/618875121.db2.gz PNXLAGPMHLXXDD-MAUKXSAKSA-N 2 0 287.451 2.513 20 0 CFADRP COc1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000930602173 618884848 /nfs/dbraw/zinc/88/48/48/618884848.db2.gz MTASCWSFXVJXGZ-SFHVURJKSA-N 2 0 288.435 2.921 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCCC3(CCC3)O1)C2 ZINC000930602538 618885325 /nfs/dbraw/zinc/88/53/25/618885325.db2.gz WCRGPGCSFNLWNN-SJORKVTESA-N 2 0 292.467 2.896 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925536426 618890285 /nfs/dbraw/zinc/89/02/85/618890285.db2.gz OZVYXEFPWPSMQG-QAPCUYQASA-N 2 0 289.467 2.785 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925536425 618890412 /nfs/dbraw/zinc/89/04/12/618890412.db2.gz OZVYXEFPWPSMQG-MAUKXSAKSA-N 2 0 289.467 2.785 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H](C)O)ccc1OC ZINC000182177481 618890888 /nfs/dbraw/zinc/89/08/88/618890888.db2.gz IVRRCWRRPFHUFY-KGLIPLIRSA-N 2 0 294.439 2.568 20 0 CFADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000925542719 618902816 /nfs/dbraw/zinc/90/28/16/618902816.db2.gz OMEUBDUNFSUEQO-ORQFMDKSSA-N 2 0 275.440 2.537 20 0 CFADRP CC1(C)[C@H]([NH2+]CCc2cc(F)cc(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925546360 618906892 /nfs/dbraw/zinc/90/68/92/618906892.db2.gz KHIUFHMMFLRHLX-OWCLPIDISA-N 2 0 294.389 2.874 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCCCc2ccccc2)CC1 ZINC000228438593 618908808 /nfs/dbraw/zinc/90/88/08/618908808.db2.gz YEDDTEUNHLZNFS-UHFFFAOYSA-N 2 0 260.425 2.941 20 0 CFADRP C[C@@H]1CCCN(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925550994 618912256 /nfs/dbraw/zinc/91/22/56/618912256.db2.gz OVVULHXVCMBYDK-SJLPKXTDSA-N 2 0 289.467 2.788 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925553191 618915883 /nfs/dbraw/zinc/91/58/83/618915883.db2.gz OKKVKXWAYDRJBB-IAGOWNOFSA-N 3 0 295.515 2.994 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCc2c[nH]c3ccccc23)C12CCC2 ZINC000925556456 618921117 /nfs/dbraw/zinc/92/11/17/618921117.db2.gz KNZGYDZPAPGZGW-IRXDYDNUSA-N 2 0 283.419 2.960 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@H]1CCC=CO1)C(C)(C)C ZINC000194441375 618935703 /nfs/dbraw/zinc/93/57/03/618935703.db2.gz RYNYQEVSYSGXSH-KGLIPLIRSA-N 2 0 254.418 2.635 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)CS1 ZINC000925692742 618938130 /nfs/dbraw/zinc/93/81/30/618938130.db2.gz AVKSZEXVYAISJQ-YUELXQCFSA-N 2 0 264.438 2.950 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000925697544 618950691 /nfs/dbraw/zinc/95/06/91/618950691.db2.gz GGOXIPPCWCCPRJ-SUNYJGFJSA-N 2 0 283.419 2.884 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccnc3ccccc23)C12CCC2 ZINC000925705764 618960062 /nfs/dbraw/zinc/96/00/62/618960062.db2.gz LRXJGEUBOISCBH-IRXDYDNUSA-N 2 0 281.403 2.637 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925706570 618961368 /nfs/dbraw/zinc/96/13/68/618961368.db2.gz LSPWGTODJWVONK-ZIAGYGMSSA-N 2 0 290.455 2.683 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000925707159 618962073 /nfs/dbraw/zinc/96/20/73/618962073.db2.gz OCZWFFPCAMNSRY-QWKFWESOSA-N 2 0 258.356 2.685 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925709383 618962838 /nfs/dbraw/zinc/96/28/38/618962838.db2.gz UEEQLBUBYMGZOB-CYBMUJFWSA-N 2 0 268.470 2.784 20 0 CFADRP CC(C)(C)N1CC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710936 618964485 /nfs/dbraw/zinc/96/44/85/618964485.db2.gz YGTOYDDDAWNEDW-SJORKVTESA-N 2 0 289.467 2.929 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000925711175 618965082 /nfs/dbraw/zinc/96/50/82/618965082.db2.gz XEMZIGBUQFGGDI-XQLPTFJDSA-N 2 0 250.430 2.918 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C[C@]1(F)Cl ZINC000925711347 618965176 /nfs/dbraw/zinc/96/51/76/618965176.db2.gz MRBSUOMPPMDJKK-SGMGOOAPSA-N 2 0 274.811 2.955 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925713984 618968889 /nfs/dbraw/zinc/96/88/89/618968889.db2.gz ZUUCUHBEZVOKGO-IKGGRYGDSA-N 3 0 289.467 2.962 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1COCC1(C)C)Cc1ccccc1 ZINC000313012429 618972305 /nfs/dbraw/zinc/97/23/05/618972305.db2.gz VFJPPZNGFIVNHD-INIZCTEOSA-N 2 0 276.424 2.523 20 0 CFADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925716292 618973502 /nfs/dbraw/zinc/97/35/02/618973502.db2.gz CHVOILYGSDGKDP-INIZCTEOSA-N 2 0 289.398 2.888 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCCc3ccccc3)C[C@@H]2C1 ZINC000931430675 618974333 /nfs/dbraw/zinc/97/43/33/618974333.db2.gz DQZUURVXOVWAAN-SJORKVTESA-N 2 0 258.409 2.503 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000257701837 618992783 /nfs/dbraw/zinc/99/27/83/618992783.db2.gz QICUSGVFOMYLHO-UHFFFAOYSA-N 2 0 250.411 2.632 20 0 CFADRP CCC[C@@H](CCO)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925723560 618993068 /nfs/dbraw/zinc/99/30/68/618993068.db2.gz BJSDDFGOCSRDMW-HOTGVXAUSA-N 2 0 264.413 2.607 20 0 CFADRP c1ccc2c(c1)NC[C@H]2CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925724631 619002207 /nfs/dbraw/zinc/00/22/07/619002207.db2.gz BTLYWEYODOAALW-RHSMWYFYSA-N 2 0 285.435 2.850 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1nccs1 ZINC000253131702 619002267 /nfs/dbraw/zinc/00/22/67/619002267.db2.gz OZTOGJZXWPTNJH-IJLUTSLNSA-N 2 0 253.415 2.559 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC000925724987 619003306 /nfs/dbraw/zinc/00/33/06/619003306.db2.gz OWWNDEPMBHOXEW-YNEHKIRRSA-N 2 0 256.459 2.625 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCOc1ccccc1 ZINC000054602316 619005205 /nfs/dbraw/zinc/00/52/05/619005205.db2.gz CQUWVDIQAAXRHF-MQVJKMGUSA-N 2 0 274.408 2.800 20 0 CFADRP COC1CCC(C[NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000893469035 619009997 /nfs/dbraw/zinc/00/99/97/619009997.db2.gz SYLUVTDHSHDOOE-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000893479681 619014235 /nfs/dbraw/zinc/01/42/35/619014235.db2.gz YILZIKODNOKTOJ-DGCLKSJQSA-N 2 0 278.362 2.991 20 0 CFADRP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000093453251 619024220 /nfs/dbraw/zinc/02/42/20/619024220.db2.gz CEGPSJDYZHWWLI-HZSPNIEDSA-N 2 0 250.411 2.758 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000093450779 619024320 /nfs/dbraw/zinc/02/43/20/619024320.db2.gz ROLNCZADCLAMBQ-ZACQAIPSSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000925734009 619043959 /nfs/dbraw/zinc/04/39/59/619043959.db2.gz ZEUCSAZYFGGQSJ-USXIJHARSA-N 2 0 290.451 2.740 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925734136 619043969 /nfs/dbraw/zinc/04/39/69/619043969.db2.gz NUYGIINYCIRSIK-GJEMEMOUSA-N 3 0 281.488 2.745 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000925760329 619070262 /nfs/dbraw/zinc/07/02/62/619070262.db2.gz PKUUQMVVLWOKJH-HOCLYGCPSA-N 2 0 276.424 2.966 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CCCOC1 ZINC000925766969 619077662 /nfs/dbraw/zinc/07/76/62/619077662.db2.gz DJNQSNWJKHQBTD-YJNKXOJESA-N 2 0 268.445 2.687 20 0 CFADRP COC1CCC(C[NH2+]CC2(C[NH+](C)C)CCCC2)CC1 ZINC000893587984 619080612 /nfs/dbraw/zinc/08/06/12/619080612.db2.gz NQXWYXVKMHMCQM-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925771811 619085230 /nfs/dbraw/zinc/08/52/30/619085230.db2.gz DCVACWVZCVTKMH-PMPSAXMXSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000925771802 619085255 /nfs/dbraw/zinc/08/52/55/619085255.db2.gz DCVACWVZCVTKMH-OAGGEKHMSA-N 2 0 280.456 2.846 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)CO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925775448 619095321 /nfs/dbraw/zinc/09/53/21/619095321.db2.gz QKBWZDNYJUKGTG-FZKCQIBNSA-N 2 0 292.467 2.702 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925786620 619111318 /nfs/dbraw/zinc/11/13/18/619111318.db2.gz XGCKFBDJURTEIB-MNOVXSKESA-N 2 0 274.380 2.952 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C12CCCCC2 ZINC000925786370 619111627 /nfs/dbraw/zinc/11/16/27/619111627.db2.gz RTXBNZAQLURRAX-FXUDXRNXSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1F ZINC000925798591 619120279 /nfs/dbraw/zinc/12/02/79/619120279.db2.gz LVRBBBDWVHTRNJ-GRYCIOLGSA-N 2 0 268.351 2.861 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)nc1 ZINC000925799544 619121086 /nfs/dbraw/zinc/12/10/86/619121086.db2.gz VNVXOYIIMFCMSO-IJLUTSLNSA-N 2 0 267.804 2.631 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000925808027 619127786 /nfs/dbraw/zinc/12/77/86/619127786.db2.gz MITDFFJZVBMJLH-WBVHZDCISA-N 3 0 281.488 2.667 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000925810373 619129010 /nfs/dbraw/zinc/12/90/10/619129010.db2.gz ZWZPNLQMYIKNLL-WBVHZDCISA-N 3 0 281.488 2.524 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000925810371 619129030 /nfs/dbraw/zinc/12/90/30/619129030.db2.gz ZWZPNLQMYIKNLL-NVXWUHKLSA-N 3 0 281.488 2.524 20 0 CFADRP CC(C)C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925815991 619134811 /nfs/dbraw/zinc/13/48/11/619134811.db2.gz VLDFRXROGSJZAA-SFHVURJKSA-N 2 0 289.467 2.787 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2sccc21 ZINC000925816085 619134864 /nfs/dbraw/zinc/13/48/64/619134864.db2.gz DNCPDOHGKCDGCT-WFASDCNBSA-N 2 0 293.480 2.699 20 0 CFADRP CC(C)N(C)CC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000054110896 619139394 /nfs/dbraw/zinc/13/93/94/619139394.db2.gz DLTKDJXDMAJBOL-AWEZNQCLSA-N 2 0 292.423 2.666 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925826345 619151378 /nfs/dbraw/zinc/15/13/78/619151378.db2.gz MZVCAHWGTLKQPS-VYDXJSESSA-N 2 0 282.472 2.950 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000925826733 619155627 /nfs/dbraw/zinc/15/56/27/619155627.db2.gz IUEFDBNMUPPCFP-JSGCOSHPSA-N 2 0 268.376 2.539 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H]1CCC[NH2+]1 ZINC000925828862 619159568 /nfs/dbraw/zinc/15/95/68/619159568.db2.gz JALGBIQXQIBRNZ-ZDEQEGDKSA-N 2 0 294.361 2.607 20 0 CFADRP CCSc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000925834527 619165852 /nfs/dbraw/zinc/16/58/52/619165852.db2.gz ISOSHBJAJYXYKT-ZIAGYGMSSA-N 2 0 264.438 2.811 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000925837258 619168546 /nfs/dbraw/zinc/16/85/46/619168546.db2.gz DIJDZMHTQLRQHZ-YIONKMFJSA-N 2 0 285.391 2.551 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925837991 619169050 /nfs/dbraw/zinc/16/90/50/619169050.db2.gz JYRNJFGPAFILHT-PMOUVXMZSA-N 2 0 280.362 2.765 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000925838437 619171487 /nfs/dbraw/zinc/17/14/87/619171487.db2.gz MAECPUNDJRSBSB-BYNSBNAKSA-N 2 0 280.362 2.895 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000925839632 619172726 /nfs/dbraw/zinc/17/27/26/619172726.db2.gz SDGOVJZDLRSBNF-KBUPBQIOSA-N 2 0 280.362 2.752 20 0 CFADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(O)c1 ZINC000925839461 619173352 /nfs/dbraw/zinc/17/33/52/619173352.db2.gz CCFUPEDRNKULHD-APHBMKBZSA-N 2 0 260.381 2.575 20 0 CFADRP CSC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000235119186 619189716 /nfs/dbraw/zinc/18/97/16/619189716.db2.gz LXDKAOTUSWJWJJ-OLZOCXBDSA-N 2 0 256.459 2.769 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)s1 ZINC000925876350 619196875 /nfs/dbraw/zinc/19/68/75/619196875.db2.gz VGAIAKNNSGDDOG-WCQGTBRESA-N 2 0 267.442 2.792 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876112 619196973 /nfs/dbraw/zinc/19/69/73/619196973.db2.gz RGRZKGFELNXJHT-IJEWVQPXSA-N 2 0 274.408 2.926 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000925881712 619201671 /nfs/dbraw/zinc/20/16/71/619201671.db2.gz DYYPYLUSGPJZFZ-XZJROXQQSA-N 2 0 262.372 2.994 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2OCCc3ccccc32)C12CCC2 ZINC000925881809 619201721 /nfs/dbraw/zinc/20/17/21/619201721.db2.gz VAYNTILKUQMZIL-GVDBMIGSSA-N 2 0 286.419 2.550 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C1(C)C ZINC000925881511 619202431 /nfs/dbraw/zinc/20/24/31/619202431.db2.gz CDRGUTMBDXFSPM-LXTVHRRPSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccn1 ZINC000925885908 619204252 /nfs/dbraw/zinc/20/42/52/619204252.db2.gz BCBSOTLZUOBXSJ-KYJSFNMBSA-N 2 0 281.403 2.791 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc3c2OCC3)CC1 ZINC000893859037 619229882 /nfs/dbraw/zinc/22/98/82/619229882.db2.gz UXRPCNHYNOHIAT-UHFFFAOYSA-N 2 0 286.419 2.682 20 0 CFADRP C[NH+](C)C1CCC(Nc2cc(N)[nH+]cc2Cl)CC1 ZINC000894245921 619280537 /nfs/dbraw/zinc/28/05/37/619280537.db2.gz HPHGMHWEOKVYLH-UHFFFAOYSA-N 2 0 268.792 2.602 20 0 CFADRP CC[C@H](C[C@](C)(O)CC)[NH2+]CC1CC[NH+](CC)CC1 ZINC000924955866 619301512 /nfs/dbraw/zinc/30/15/12/619301512.db2.gz ROOQCQJVHLMCJC-HZPDHXFCSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000924957630 619302556 /nfs/dbraw/zinc/30/25/56/619302556.db2.gz DGFJTSKNFKKNEX-PBHICJAKSA-N 2 0 287.451 2.636 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000894295593 619313735 /nfs/dbraw/zinc/31/37/35/619313735.db2.gz RLEKYABZJHKTBA-OLZOCXBDSA-N 2 0 291.266 2.844 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000924988528 619319096 /nfs/dbraw/zinc/31/90/96/619319096.db2.gz BKRIXJBVUMIDNM-QAPCUYQASA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000261976405 619357830 /nfs/dbraw/zinc/35/78/30/619357830.db2.gz QUTXJRPWHXCUGB-VXGBXAGGSA-N 2 0 252.789 2.724 20 0 CFADRP COC1CCC(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000894417703 619378969 /nfs/dbraw/zinc/37/89/69/619378969.db2.gz VLMAWTGLPOGVKB-HXGYVLDSSA-N 2 0 280.456 2.749 20 0 CFADRP Cc1cc2cc(C[NH2+]CC3CC[NH+](C)CC3)ccc2[nH]1 ZINC000894437641 619385819 /nfs/dbraw/zinc/38/58/19/619385819.db2.gz ZEUKGPDVDIYBBM-UHFFFAOYSA-N 2 0 271.408 2.908 20 0 CFADRP C[C@H]1CCCC[C@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262035809 619400056 /nfs/dbraw/zinc/40/00/56/619400056.db2.gz OODDVNZBQJRYBW-GJZGRUSLSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262035815 619400179 /nfs/dbraw/zinc/40/01/79/619400179.db2.gz OODDVNZBQJRYBW-LSDHHAIUSA-N 2 0 250.430 2.888 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC000894585712 619424317 /nfs/dbraw/zinc/42/43/17/619424317.db2.gz UXSBMOPFDXPMBX-INIZCTEOSA-N 2 0 273.424 2.806 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccnn3C3CCC3)C2)C1 ZINC000894622334 619431295 /nfs/dbraw/zinc/43/12/95/619431295.db2.gz HBEAPVHKTRQNPI-KRWDZBQOSA-N 2 0 288.439 2.526 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3c2NCCC3)C1 ZINC000894780940 619466107 /nfs/dbraw/zinc/46/61/07/619466107.db2.gz AUIRBLRSQQKIAY-FUHWJXTLSA-N 2 0 299.462 2.961 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2(C3CCC3)CCC2)CC1 ZINC000894802469 619469847 /nfs/dbraw/zinc/46/98/47/619469847.db2.gz PEJZMSUIVMSOKN-UHFFFAOYSA-N 2 0 250.430 2.888 20 0 CFADRP COc1ccc2c(N[C@@H]3CC[N@H+](C)[C@H]3C)cc[nH+]c2c1 ZINC000895741084 619594021 /nfs/dbraw/zinc/59/40/21/619594021.db2.gz YOLNJMCLBXNYJD-SMDDNHRTSA-N 2 0 271.364 2.748 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000895854355 619623183 /nfs/dbraw/zinc/62/31/83/619623183.db2.gz UQUKZWAVPWDOFM-OAHLLOKOSA-N 2 0 268.351 2.768 20 0 CFADRP C[N@H+](CCCF)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000895898104 619629836 /nfs/dbraw/zinc/62/98/36/619629836.db2.gz KSZNTGYICGYGEB-UHFFFAOYSA-N 2 0 294.414 2.953 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)CC1 ZINC000896036742 619657296 /nfs/dbraw/zinc/65/72/96/619657296.db2.gz VOFFJAPYQAMCCT-GOSISDBHSA-N 2 0 294.483 2.857 20 0 CFADRP Brc1ccc(C[NH2+]CC2CC[NH2+]CC2)s1 ZINC000070600533 625363233 /nfs/dbraw/zinc/36/32/33/625363233.db2.gz GEAINHUNOOSSAK-UHFFFAOYSA-N 2 0 289.242 2.600 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC000897301729 619973549 /nfs/dbraw/zinc/97/35/49/619973549.db2.gz SFKOBZUFSQPUHI-HNNXBMFYSA-N 2 0 293.480 2.658 20 0 CFADRP CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925151850 619981466 /nfs/dbraw/zinc/98/14/66/619981466.db2.gz DRUGUKKXWRIASR-RHSMWYFYSA-N 2 0 278.440 2.806 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000925153372 619985057 /nfs/dbraw/zinc/98/50/57/619985057.db2.gz XRZKLBYKYDWUQN-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)C1 ZINC000163261096 619993401 /nfs/dbraw/zinc/99/34/01/619993401.db2.gz UMFQHYJMWRFDQU-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000034995314 620007484 /nfs/dbraw/zinc/00/74/84/620007484.db2.gz LJJZGWSHSCFFOX-KRWDZBQOSA-N 2 0 260.425 2.865 20 0 CFADRP Cc1nonc1[C@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925233413 620057834 /nfs/dbraw/zinc/05/78/34/620057834.db2.gz VJKBASXAWFNKFL-ZDUSSCGKSA-N 2 0 294.443 2.787 20 0 CFADRP Cc1nonc1[C@@H](C)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925233412 620057919 /nfs/dbraw/zinc/05/79/19/620057919.db2.gz VJKBASXAWFNKFL-CYBMUJFWSA-N 2 0 294.443 2.787 20 0 CFADRP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000262709250 620058967 /nfs/dbraw/zinc/05/89/67/620058967.db2.gz OTMWPCRFHGOGSF-RHSMWYFYSA-N 2 0 297.487 2.521 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000925258727 620075937 /nfs/dbraw/zinc/07/59/37/620075937.db2.gz PNINZGNXTZXHCI-HNNXBMFYSA-N 2 0 270.486 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C2CCOCC2)[C@H](C)C1 ZINC000897448523 620175523 /nfs/dbraw/zinc/17/55/23/620175523.db2.gz WSVRYVIPAFIJDQ-ZBFHGGJFSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H](C(=O)OCCC[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000800171753 620175825 /nfs/dbraw/zinc/17/58/25/620175825.db2.gz VLMWMSAIAUECCJ-XHSDSOJGSA-N 2 0 296.455 2.667 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000897508760 620197790 /nfs/dbraw/zinc/19/77/90/620197790.db2.gz SBFSBEBNOLICFR-CVEARBPZSA-N 2 0 280.456 2.797 20 0 CFADRP CC[C@](O)(CCC(F)(F)F)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897518317 620201690 /nfs/dbraw/zinc/20/16/90/620201690.db2.gz FZWJZYGPAJNXPV-AGIUHOORSA-N 2 0 296.377 2.542 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000897771312 620279074 /nfs/dbraw/zinc/27/90/74/620279074.db2.gz BUFXVTAPZZWQMY-HNNXBMFYSA-N 2 0 280.456 2.534 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCS1 ZINC000897796924 620286616 /nfs/dbraw/zinc/28/66/16/620286616.db2.gz AQGSZGFINVZDBZ-MGPQQGTHSA-N 2 0 268.470 2.877 20 0 CFADRP C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cncs1 ZINC000897930102 620305231 /nfs/dbraw/zinc/30/52/31/620305231.db2.gz IRXVRNOTDASCRV-MNOVXSKESA-N 2 0 253.415 2.667 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000926913106 620419485 /nfs/dbraw/zinc/41/94/85/620419485.db2.gz BQULREBDNZRMRV-QWHCGFSZSA-N 2 0 294.361 2.560 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)oc21 ZINC000841056765 620422490 /nfs/dbraw/zinc/42/24/90/620422490.db2.gz DQPGIHABTWFLHZ-CYBMUJFWSA-N 2 0 274.364 2.673 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccnnc1 ZINC000924682261 620439529 /nfs/dbraw/zinc/43/95/29/620439529.db2.gz BSEMBYQSCPTTLZ-OAGGEKHMSA-N 2 0 290.455 2.885 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)CO ZINC000924683592 620439787 /nfs/dbraw/zinc/43/97/87/620439787.db2.gz GVIUSWNFJFBCFM-OAGGEKHMSA-N 2 0 284.488 2.741 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)(C)CO ZINC000924683590 620439801 /nfs/dbraw/zinc/43/98/01/620439801.db2.gz GVIUSWNFJFBCFM-BZUAXINKSA-N 2 0 284.488 2.741 20 0 CFADRP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccnn2CC2CCC2)C1 ZINC000924707868 620448086 /nfs/dbraw/zinc/44/80/86/620448086.db2.gz VYUKBVQMQONOEI-ZBFHGGJFSA-N 2 0 290.455 2.676 20 0 CFADRP C[C@@H](C[NH2+][C@H](C1CC1)C1CCOCC1)C[NH+]1CCCC1 ZINC000924712955 620450632 /nfs/dbraw/zinc/45/06/32/620450632.db2.gz CDLDMHZUMZPEAD-WMLDXEAASA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000924716790 620451953 /nfs/dbraw/zinc/45/19/53/620451953.db2.gz QRPWLDQZVOEXEF-KRWDZBQOSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000924722766 620454275 /nfs/dbraw/zinc/45/42/75/620454275.db2.gz UUGKULOVXYAWHL-ZACQAIPSSA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc(-c2ccc3c(c2)CC[C@@H]([NH3+])C3)c(C[NH3+])c1 ZINC000899323208 620543475 /nfs/dbraw/zinc/54/34/75/620543475.db2.gz OOXSDAMILFUJEI-MRXNPFEDSA-N 2 0 282.387 2.637 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3[NH2+]CC[C@H]4CCCC[C@H]43)n2)CCCC1 ZINC000900005433 620621813 /nfs/dbraw/zinc/62/18/13/620621813.db2.gz JDDYGXLEGJCTBV-JHJVBQTASA-N 2 0 290.411 2.638 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320666 621023346 /nfs/dbraw/zinc/02/33/46/621023346.db2.gz QUPAFSZWHLBIOT-CABCVRRESA-N 2 0 292.471 2.666 20 0 CFADRP C[C@@H](C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F)N(C)C ZINC000902315796 621030924 /nfs/dbraw/zinc/03/09/24/621030924.db2.gz DKCSJZLPUIFJKY-LRDDRELGSA-N 2 0 299.409 2.675 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000902317014 621031572 /nfs/dbraw/zinc/03/15/72/621031572.db2.gz BKWZUMZDALFJIB-LSDHHAIUSA-N 2 0 258.409 2.694 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902347512 621034829 /nfs/dbraw/zinc/03/48/29/621034829.db2.gz MJROIAVSYQNRPD-HNNXBMFYSA-N 2 0 276.424 2.742 20 0 CFADRP [NH3+]CCCC[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1F ZINC000902347751 621035275 /nfs/dbraw/zinc/03/52/75/621035275.db2.gz VBLDPPUWCBZYIC-XJKSGUPXSA-N 2 0 298.377 2.904 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCNc2ccccc2)C1 ZINC000902327600 621037252 /nfs/dbraw/zinc/03/72/52/621037252.db2.gz FGSAKNBXYIMZDA-MRXNPFEDSA-N 2 0 275.440 2.856 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902331000 621038418 /nfs/dbraw/zinc/03/84/18/621038418.db2.gz RHZDVIILRBPVNQ-DLBZAZTESA-N 2 0 289.467 2.657 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902331770 621038810 /nfs/dbraw/zinc/03/88/10/621038810.db2.gz APFMOGNGNKAOIP-KRWDZBQOSA-N 3 0 289.467 2.616 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)N(C)c1ccccc1 ZINC000902338532 621042386 /nfs/dbraw/zinc/04/23/86/621042386.db2.gz MXJZHPHUWIFKHM-HOTGVXAUSA-N 2 0 289.467 2.879 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)C1 ZINC000902371352 621044523 /nfs/dbraw/zinc/04/45/23/621044523.db2.gz OXGPYZCFHDNLOI-HZPDHXFCSA-N 2 0 273.424 2.901 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccnn1C ZINC000902378208 621047083 /nfs/dbraw/zinc/04/70/83/621047083.db2.gz VJMJGVYDEYZYTL-HUUCEWRRSA-N 2 0 292.471 2.528 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902351470 621048254 /nfs/dbraw/zinc/04/82/54/621048254.db2.gz DYTQGCMMKACVRC-HNNXBMFYSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902360623 621052855 /nfs/dbraw/zinc/05/28/55/621052855.db2.gz IAGFCJSUUZYJPL-IRXDYDNUSA-N 3 0 295.515 2.722 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N)CC2)CC1 ZINC000902407820 621056388 /nfs/dbraw/zinc/05/63/88/621056388.db2.gz VMDWNPXJFRUTEY-UHFFFAOYSA-N 2 0 287.451 2.511 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCCCC1 ZINC000902388318 621061527 /nfs/dbraw/zinc/06/15/27/621061527.db2.gz OLHQXTOGKYMLBM-OAHLLOKOSA-N 2 0 282.472 2.951 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOCC2CCCC2)C1 ZINC000902390641 621061965 /nfs/dbraw/zinc/06/19/65/621061965.db2.gz PAFXWAYUUQBUFC-HNNXBMFYSA-N 2 0 268.445 2.561 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccnc1 ZINC000902391350 621062760 /nfs/dbraw/zinc/06/27/60/621062760.db2.gz VMVQIPXAWMYQLF-OAHLLOKOSA-N 2 0 275.440 2.727 20 0 CFADRP CCOc1cccc2cc([C@@H](C)NCC3([NH3+])CC3)oc21 ZINC000902412800 621062875 /nfs/dbraw/zinc/06/28/75/621062875.db2.gz FILSYQFRUYFVQN-LLVKDONJSA-N 2 0 274.364 2.973 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CC23CCSCC3)C1 ZINC000902394910 621064091 /nfs/dbraw/zinc/06/40/91/621064091.db2.gz XSSOPGASRJEGRX-ZIAGYGMSSA-N 2 0 282.497 2.888 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCCC23CC3)C1 ZINC000902396224 621065118 /nfs/dbraw/zinc/06/51/18/621065118.db2.gz JEOKSNURBLTURY-ZIAGYGMSSA-N 2 0 250.430 2.935 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000902402472 621068241 /nfs/dbraw/zinc/06/82/41/621068241.db2.gz LSPZYVXWEYPGPU-ILXRZTDVSA-N 2 0 250.430 2.790 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cc1C ZINC000902402963 621068807 /nfs/dbraw/zinc/06/88/07/621068807.db2.gz FXHXCKFEEXMILK-LRVUVFPRSA-N 2 0 262.397 2.924 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CC1 ZINC000902429245 621076056 /nfs/dbraw/zinc/07/60/56/621076056.db2.gz CSGPUECIOQAONX-HZSPNIEDSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000902429335 621076063 /nfs/dbraw/zinc/07/60/63/621076063.db2.gz FCCNONQTMTYBMG-RBSFLKMASA-N 2 0 250.430 2.933 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000902430600 621076378 /nfs/dbraw/zinc/07/63/78/621076378.db2.gz OZXXTCUUCQCOQH-WKULXVSPSA-N 2 0 292.467 2.844 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)C[C@@H]([NH3+])C1 ZINC000902430163 621076655 /nfs/dbraw/zinc/07/66/55/621076655.db2.gz HGFXJNJRLPUQMR-CVEARBPZSA-N 2 0 290.455 2.679 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000902433245 621078320 /nfs/dbraw/zinc/07/83/20/621078320.db2.gz ZJPXONWOLKFPRO-DXEWXGHRSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CCOCC1 ZINC000902434776 621078880 /nfs/dbraw/zinc/07/88/80/621078880.db2.gz ZCQNXJWQZZSVHZ-OAHLLOKOSA-N 2 0 280.456 2.704 20 0 CFADRP CCc1ccc([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)s1 ZINC000902473290 621085541 /nfs/dbraw/zinc/08/55/41/621085541.db2.gz XCMHIWBQOPKGGA-VCDKRKBESA-N 2 0 250.411 2.854 20 0 CFADRP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000902446582 621089196 /nfs/dbraw/zinc/08/91/96/621089196.db2.gz ULVWZUDEFXLNPF-BCLQGDPASA-N 2 0 280.456 2.844 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452173 621092652 /nfs/dbraw/zinc/09/26/52/621092652.db2.gz JRCSJGMFKLYHDE-MSIPSHCFSA-N 2 0 280.362 2.928 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C12CCC2 ZINC000902453018 621092695 /nfs/dbraw/zinc/09/26/95/621092695.db2.gz BHMIDEXISBXFOO-TUAOUCFPSA-N 2 0 258.356 2.671 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc2nonc2c1 ZINC000902452769 621092761 /nfs/dbraw/zinc/09/27/61/621092761.db2.gz ANYYUNCGEHFIOQ-JSGCOSHPSA-N 2 0 288.395 2.623 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C12CCC2 ZINC000902453016 621092814 /nfs/dbraw/zinc/09/28/14/621092814.db2.gz BHMIDEXISBXFOO-IJLUTSLNSA-N 2 0 258.356 2.671 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902453589 621093155 /nfs/dbraw/zinc/09/31/55/621093155.db2.gz CDOSHTCEVYJBGL-LBPRGKRZSA-N 2 0 260.372 2.932 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@H]2CCCC(C)(C)O2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902458974 621095734 /nfs/dbraw/zinc/09/57/34/621095734.db2.gz AHNSZZRHSZWPRM-KBXIAJHMSA-N 2 0 280.456 2.700 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC(C)(C)O1 ZINC000902461778 621096628 /nfs/dbraw/zinc/09/66/28/621096628.db2.gz RQMJAYBUALCTBK-DOMZBBRYSA-N 2 0 291.439 2.847 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)c2ccccc21 ZINC000902462354 621096870 /nfs/dbraw/zinc/09/68/70/621096870.db2.gz UZZAMRXYMKUQLV-WBQNTZJQSA-N 2 0 284.403 2.680 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCC(C)(C)O2)C1 ZINC000902462619 621097146 /nfs/dbraw/zinc/09/71/46/621097146.db2.gz WDRFKOAIMMJKNQ-MGPQQGTHSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)c1nc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cs1 ZINC000902483768 621110421 /nfs/dbraw/zinc/11/04/21/621110421.db2.gz BHBDNOWGVUTGLB-GMTAPVOTSA-N 2 0 253.415 2.654 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1nccc2ccccc21 ZINC000902484116 621110708 /nfs/dbraw/zinc/11/07/08/621110708.db2.gz CWKKEWZLAUEMEX-YRGRVCCFSA-N 2 0 255.365 2.623 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000902485247 621110946 /nfs/dbraw/zinc/11/09/46/621110946.db2.gz JWHPWFQRRPFBCZ-IXPVHAAZSA-N 2 0 268.351 2.989 20 0 CFADRP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486031 621111400 /nfs/dbraw/zinc/11/14/00/621111400.db2.gz FJEPNXYRPPAQLR-JKOKRWQUSA-N 2 0 252.789 2.598 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc(C)c1F ZINC000902485988 621111610 /nfs/dbraw/zinc/11/16/10/621111610.db2.gz DLYHGHLXKLETKZ-OBJOEFQTSA-N 2 0 250.361 2.830 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000902485947 621111647 /nfs/dbraw/zinc/11/16/47/621111647.db2.gz CNAUWAPHKSZGTR-DJIMGWMZSA-N 2 0 258.409 2.643 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000902488084 621112433 /nfs/dbraw/zinc/11/24/33/621112433.db2.gz JRYQVUIZQMVIAO-GIPNMCIBSA-N 2 0 283.213 2.837 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000902488581 621112451 /nfs/dbraw/zinc/11/24/51/621112451.db2.gz NIGSDCDCLLOXAG-CKYFFXLPSA-N 2 0 270.323 2.676 20 0 CFADRP CNc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000902596596 621126938 /nfs/dbraw/zinc/12/69/38/621126938.db2.gz PVUQEWQNFKXHRN-CQSZACIVSA-N 2 0 261.413 2.550 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902720669 621156728 /nfs/dbraw/zinc/15/67/28/621156728.db2.gz LXTFWNKOVNTHCQ-SJUNHDGSSA-N 2 0 294.483 2.900 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902724784 621158250 /nfs/dbraw/zinc/15/82/50/621158250.db2.gz IXVXEVJBFFDLFZ-HYVNUMGLSA-N 2 0 288.435 2.700 20 0 CFADRP CC1(C)CC([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC(C)(C)[NH2+]1 ZINC000902727788 621159524 /nfs/dbraw/zinc/15/95/24/621159524.db2.gz CJHIVSBWGTWELG-RFBLXINOSA-N 2 0 292.467 2.699 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000902752582 621164744 /nfs/dbraw/zinc/16/47/44/621164744.db2.gz KNNDKSANQVMKCX-NJAFHUGGSA-N 2 0 294.483 2.903 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902766371 621169157 /nfs/dbraw/zinc/16/91/57/621169157.db2.gz IWHUWXURMGQIIJ-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902788872 621176713 /nfs/dbraw/zinc/17/67/13/621176713.db2.gz FTBIVZBPIHUQDL-QXDIGNSFSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902794846 621178928 /nfs/dbraw/zinc/17/89/28/621178928.db2.gz ZFGNKRNEMBSDIH-GQLSEVEHSA-N 2 0 292.467 2.510 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902795238 621179017 /nfs/dbraw/zinc/17/90/17/621179017.db2.gz ASGYECHBOFHPMP-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)[C@H]1COc2ccccc2C1 ZINC000902818597 621181175 /nfs/dbraw/zinc/18/11/75/621181175.db2.gz OGFIPFFKKLAHCQ-XJNFMUPTSA-N 2 0 288.435 2.699 20 0 CFADRP CCO[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)C1 ZINC000902976058 621215534 /nfs/dbraw/zinc/21/55/34/621215534.db2.gz MGIHPHZTXUWZNK-KFWWJZLASA-N 2 0 256.434 2.654 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000903017987 621222235 /nfs/dbraw/zinc/22/22/35/621222235.db2.gz VBHISQWXGWIROR-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903042879 621232322 /nfs/dbraw/zinc/23/23/22/621232322.db2.gz KBZBVTOHYBAQAQ-LEUOFYLZSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903057309 621236133 /nfs/dbraw/zinc/23/61/33/621236133.db2.gz BKKVFJYMMKUWJE-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903060443 621237339 /nfs/dbraw/zinc/23/73/39/621237339.db2.gz ZCPCQVOEVXLJAO-ZXFUBFMLSA-N 2 0 286.419 2.943 20 0 CFADRP COC(C)(C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903102677 621253509 /nfs/dbraw/zinc/25/35/09/621253509.db2.gz AMDOGAFEHHTTOA-WPXLMEDKSA-N 2 0 280.456 2.937 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903106311 621255491 /nfs/dbraw/zinc/25/54/91/621255491.db2.gz YJIGQGZUYRMLMT-CJIFFNTHSA-N 2 0 292.467 2.937 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903107272 621255848 /nfs/dbraw/zinc/25/58/48/621255848.db2.gz PMDOHFQWRDFXAK-ZNMIVQPWSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H]1C ZINC000903107633 621256091 /nfs/dbraw/zinc/25/60/91/621256091.db2.gz ZSZUHARLHBFKLJ-MUQADHOPSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2=CC[N@H+](C)CC2)[C@@H]1C ZINC000903132538 621264158 /nfs/dbraw/zinc/26/41/58/621264158.db2.gz RUDHYUXEZZSJOC-CTASWTNQSA-N 2 0 250.430 2.909 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCOC12CCCC2)[NH+]1CCCCC1 ZINC000903146897 621268382 /nfs/dbraw/zinc/26/83/82/621268382.db2.gz CATGDTPGVSRRSI-HZPDHXFCSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1cccnc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903177743 621275801 /nfs/dbraw/zinc/27/58/01/621275801.db2.gz AVCUIUYEEXDLPT-ZXFUBFMLSA-N 2 0 285.435 2.680 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903183607 621277981 /nfs/dbraw/zinc/27/79/81/621277981.db2.gz PDAYKWLMDGRRMX-JQZGTUITSA-N 2 0 278.440 2.690 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903185728 621279176 /nfs/dbraw/zinc/27/91/76/621279176.db2.gz LHZWDEDHZMEKTG-NYXIWFNCSA-N 2 0 292.467 2.937 20 0 CFADRP C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903168732 621279538 /nfs/dbraw/zinc/27/95/38/621279538.db2.gz OCORCLGZFVJSEI-ZMSDIMECSA-N 2 0 262.441 2.887 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000903228574 621296908 /nfs/dbraw/zinc/29/69/08/621296908.db2.gz VPUBQEAYCBPVCH-PYBGIAKNSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CO1 ZINC000903280603 621310946 /nfs/dbraw/zinc/31/09/46/621310946.db2.gz WCTKGOHIPBQAAZ-HHBNRRBVSA-N 2 0 290.451 2.691 20 0 CFADRP C[C@@H]1C[C@H](N[C@H](c2ccccn2)C2CC2)CC[N@@H+]1C ZINC000903338528 621334173 /nfs/dbraw/zinc/33/41/73/621334173.db2.gz IMXHFIRVUWRKMH-XPKDYRNWSA-N 2 0 259.397 2.605 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000903341953 621335304 /nfs/dbraw/zinc/33/53/04/621335304.db2.gz VTCWDOFOZVZZIJ-ICIURTGMSA-N 2 0 272.383 2.742 20 0 CFADRP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000903354362 621345746 /nfs/dbraw/zinc/34/57/46/621345746.db2.gz TYHBWANAGXTGMS-UONOGXRCSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000903396066 621353436 /nfs/dbraw/zinc/35/34/36/621353436.db2.gz PMJKGGYVLRUAPG-TXCZRRACSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCC12CC2)c1cccnc1 ZINC000903379835 621355677 /nfs/dbraw/zinc/35/56/77/621355677.db2.gz ZFIUWFAVPDLCPF-HOTGVXAUSA-N 2 0 273.424 2.997 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903408220 621363004 /nfs/dbraw/zinc/36/30/04/621363004.db2.gz RHCHNRITXLDQNJ-CXAGYDPISA-N 2 0 276.424 2.560 20 0 CFADRP C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)C1CC[NH+](C)CC1 ZINC000903428797 621370927 /nfs/dbraw/zinc/37/09/27/621370927.db2.gz QOAQRPWZAYSXKY-GUYCJALGSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903429563 621371077 /nfs/dbraw/zinc/37/10/77/621371077.db2.gz HBPUVLNVUCJNAE-MDZLAQPJSA-N 2 0 268.351 2.813 20 0 CFADRP CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)c1cccc(OC)c1 ZINC000903430756 621372007 /nfs/dbraw/zinc/37/20/07/621372007.db2.gz ADIVDDZYKJXWPV-FMKPAKJESA-N 2 0 276.424 2.934 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000903433018 621372947 /nfs/dbraw/zinc/37/29/47/621372947.db2.gz RCHLIVJRIMEYPF-CVEARBPZSA-N 2 0 276.424 2.687 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000903433265 621373091 /nfs/dbraw/zinc/37/30/91/621373091.db2.gz XTGZIOFMLHNAGM-USXIJHARSA-N 2 0 276.399 2.960 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](c2ccccc2)O1 ZINC000903432542 621373135 /nfs/dbraw/zinc/37/31/35/621373135.db2.gz DSQTXYCBFJPXOI-HDEZJCGLSA-N 2 0 274.408 2.576 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)C1 ZINC000903434821 621373594 /nfs/dbraw/zinc/37/35/94/621373594.db2.gz KXNJTVVYDHONIO-RANZSIQMSA-N 2 0 288.435 2.702 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000903435702 621373646 /nfs/dbraw/zinc/37/36/46/621373646.db2.gz WHMPOYCUTUIPRY-NWANDNLSSA-N 2 0 288.391 2.680 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903420681 621378050 /nfs/dbraw/zinc/37/80/50/621378050.db2.gz FMZKVZIUWGYPAW-NWANDNLSSA-N 2 0 280.362 2.706 20 0 CFADRP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000903422929 621379250 /nfs/dbraw/zinc/37/92/50/621379250.db2.gz RZYFTVFJNUXCIQ-XHSDSOJGSA-N 2 0 298.434 2.605 20 0 CFADRP Cc1ccc(F)c(C[N@@H+](C)C2CCC([NH3+])CC2)c1F ZINC000903425002 621380035 /nfs/dbraw/zinc/38/00/35/621380035.db2.gz OISNHEMOFPBCOZ-UHFFFAOYSA-N 2 0 268.351 2.975 20 0 CFADRP CC(F)(F)CCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903459228 621380369 /nfs/dbraw/zinc/38/03/69/621380369.db2.gz SDBRDZCLSWAJMM-UONOGXRCSA-N 2 0 290.398 2.640 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000903461190 621381363 /nfs/dbraw/zinc/38/13/63/621381363.db2.gz OXFZGFQTOBMLBU-BFHYXJOUSA-N 2 0 290.398 2.783 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903461666 621381434 /nfs/dbraw/zinc/38/14/34/621381434.db2.gz XJQPFMDLFUNMIW-SPWCGHHHSA-N 2 0 280.362 2.847 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000903463940 621382055 /nfs/dbraw/zinc/38/20/55/621382055.db2.gz SUQAWBXUZBVOHA-QWHCGFSZSA-N 2 0 269.392 2.653 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)c1 ZINC000903463652 621382143 /nfs/dbraw/zinc/38/21/43/621382143.db2.gz HWOLQQZTUDIXRT-UWWQBHOKSA-N 2 0 288.435 2.786 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442726 621382614 /nfs/dbraw/zinc/38/26/14/621382614.db2.gz ZWLVECOVDKKRMZ-MLHJIOFPSA-N 3 0 293.499 2.700 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000903442012 621382805 /nfs/dbraw/zinc/38/28/05/621382805.db2.gz FPRMPHUMKLNPHS-SQNIBIBYSA-N 2 0 293.499 2.558 20 0 CFADRP CCc1nc(C)c([C@@H](C)N(C)C[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903444668 621383272 /nfs/dbraw/zinc/38/32/72/621383272.db2.gz UKWXGHIKZCGAAI-RTXFEEFZSA-N 2 0 281.469 2.862 20 0 CFADRP CC(C)C1CCC([NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000903444514 621383415 /nfs/dbraw/zinc/38/34/15/621383415.db2.gz AWKJYJGQFJYIKC-LXPRWKDFSA-N 2 0 293.499 2.571 20 0 CFADRP Cc1cccnc1[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000903446458 621384390 /nfs/dbraw/zinc/38/43/90/621384390.db2.gz WYNKMNVWHVWMRE-QLFBSQMISA-N 2 0 261.413 2.532 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1F ZINC000903450264 621386179 /nfs/dbraw/zinc/38/61/79/621386179.db2.gz RTJPLEHRBYLUAL-LBPRGKRZSA-N 2 0 268.351 2.834 20 0 CFADRP c1cc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2[nH]1 ZINC000903453780 621387517 /nfs/dbraw/zinc/38/75/17/621387517.db2.gz LIIJYWBXVUECQM-KRWDZBQOSA-N 2 0 269.392 2.743 20 0 CFADRP CC1(C)C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)Cc2ccccc21 ZINC000903454757 621388297 /nfs/dbraw/zinc/38/82/97/621388297.db2.gz IXFMJCPTCHRWSW-HIFRSBDPSA-N 2 0 258.409 2.907 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456657 621388561 /nfs/dbraw/zinc/38/85/61/621388561.db2.gz IMVJUPRAJVMRHV-COXVUDFISA-N 2 0 258.409 2.679 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903457460 621388698 /nfs/dbraw/zinc/38/86/98/621388698.db2.gz TUYFLJNYXNHIHJ-MSOLQXFVSA-N 3 0 295.515 2.948 20 0 CFADRP c1ccc(CCOCCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469291 621389202 /nfs/dbraw/zinc/38/92/02/621389202.db2.gz SQVUKHYNMMWNCX-KRWDZBQOSA-N 2 0 288.435 2.510 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C[C@@H]1[NH3+] ZINC000903482354 621392281 /nfs/dbraw/zinc/39/22/81/621392281.db2.gz DNTFUXCVLJEMBQ-XJFOESAGSA-N 2 0 280.362 2.751 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)CC(F)F ZINC000903482209 621392452 /nfs/dbraw/zinc/39/24/52/621392452.db2.gz ZJMNQUXBXDRTHM-NWDGAFQWSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H]1CC[NH3+] ZINC000903499417 621394077 /nfs/dbraw/zinc/39/40/77/621394077.db2.gz UGSSSYJNXCQACO-DDBAPUKQSA-N 2 0 288.435 2.823 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2cccc(F)c2)C[C@H]1CC[NH3+] ZINC000903499749 621394222 /nfs/dbraw/zinc/39/42/22/621394222.db2.gz NCQATDRYPNGBEA-UKRRQHHQSA-N 2 0 264.388 2.675 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C(C)(C)C ZINC000903505467 621394347 /nfs/dbraw/zinc/39/43/47/621394347.db2.gz CMLGOBLOEQTROX-BHYGNILZSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@H]1CC[NH3+] ZINC000903496930 621394921 /nfs/dbraw/zinc/39/49/21/621394921.db2.gz KNWDPBPBAKMJOP-TZMCWYRMSA-N 2 0 287.382 2.791 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1CC[NH3+] ZINC000903496392 621395007 /nfs/dbraw/zinc/39/50/07/621395007.db2.gz MDYFLEGNKJRYKK-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP c1csc(C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000903565164 621396653 /nfs/dbraw/zinc/39/66/53/621396653.db2.gz DZTQUBWKMYZERU-OAHLLOKOSA-N 2 0 293.480 2.787 20 0 CFADRP C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000903566676 621396761 /nfs/dbraw/zinc/39/67/61/621396761.db2.gz XTZAXPBQCHNTKE-HLLBOEOZSA-N 2 0 258.409 2.864 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903575670 621398536 /nfs/dbraw/zinc/39/85/36/621398536.db2.gz QSFPNASCBZCSIR-CABCVRRESA-N 2 0 261.413 2.667 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000903717564 621424841 /nfs/dbraw/zinc/42/48/41/621424841.db2.gz RVPKIRUQQSIBOG-AWEZNQCLSA-N 2 0 288.794 2.821 20 0 CFADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903718406 621425216 /nfs/dbraw/zinc/42/52/16/621425216.db2.gz LZPHVWARCWMMIO-OAHLLOKOSA-N 2 0 290.407 2.627 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903718267 621425396 /nfs/dbraw/zinc/42/53/96/621425396.db2.gz JQSXWLAFCBMJLF-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP CCCC[NH+](CCCC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718038 621425490 /nfs/dbraw/zinc/42/54/90/621425490.db2.gz YKORKPSLJWLWPP-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP CC[N@@H+](Cc1cccs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718266 621425690 /nfs/dbraw/zinc/42/56/90/621425690.db2.gz JPWFZDJNBLXFDA-CQSZACIVSA-N 2 0 294.464 2.729 20 0 CFADRP CC(C)COC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903721945 621426382 /nfs/dbraw/zinc/42/63/82/621426382.db2.gz GKMIVPLNMXXWRG-OAHLLOKOSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc([C@H]2CCCN2C[C@@H]2CCCC[NH2+]C2)no1 ZINC000903723553 621427030 /nfs/dbraw/zinc/42/70/30/621427030.db2.gz IKLWBBPZAOLSBZ-UKRRQHHQSA-N 2 0 263.385 2.510 20 0 CFADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1CCCCC1 ZINC000903724119 621427293 /nfs/dbraw/zinc/42/72/93/621427293.db2.gz KVWXINVIPQNVDC-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](c1cccs1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724926 621427511 /nfs/dbraw/zinc/42/75/11/621427511.db2.gz SIXXXVUMHSABQJ-UONOGXRCSA-N 2 0 294.464 2.900 20 0 CFADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCCCCCC1 ZINC000903727954 621429051 /nfs/dbraw/zinc/42/90/51/621429051.db2.gz ZWAKHKLNCDLNQM-SJORKVTESA-N 2 0 280.456 2.800 20 0 CFADRP CCC1(CC)CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903730523 621429427 /nfs/dbraw/zinc/42/94/27/621429427.db2.gz XCEWDBPSOISJRG-OAHLLOKOSA-N 2 0 280.456 2.657 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000903729087 621429621 /nfs/dbraw/zinc/42/96/21/621429621.db2.gz JQUXFVCRKSCKCP-FUHWJXTLSA-N 2 0 292.467 2.801 20 0 CFADRP FCc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903750094 621432496 /nfs/dbraw/zinc/43/24/96/621432496.db2.gz UQPKHDCDCIMBNT-DOTOQJQBSA-N 2 0 276.399 2.978 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903752035 621433020 /nfs/dbraw/zinc/43/30/20/621433020.db2.gz OZZHJKUXPKLCFT-WBVHZDCISA-N 2 0 273.424 2.662 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753314 621433059 /nfs/dbraw/zinc/43/30/59/621433059.db2.gz TWNOEDXMYLIQJT-PMPSAXMXSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751513 621433407 /nfs/dbraw/zinc/43/34/07/621433407.db2.gz GASMHNPXBBPAAK-XIRDDKMYSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1C ZINC000903760772 621436247 /nfs/dbraw/zinc/43/62/47/621436247.db2.gz YKLQQRFVBPQAOP-JZXOWHBKSA-N 2 0 288.435 2.723 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2CF)C[C@@H]1C[NH3+] ZINC000903760984 621436307 /nfs/dbraw/zinc/43/63/07/621436307.db2.gz MIZSHLCFYURZQJ-WWGRRREGSA-N 2 0 264.388 2.961 20 0 CFADRP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903763237 621436552 /nfs/dbraw/zinc/43/65/52/621436552.db2.gz JALQVAMXCGZQKY-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903763239 621436638 /nfs/dbraw/zinc/43/66/38/621436638.db2.gz JALQVAMXCGZQKY-YESZJQIVSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000903763185 621436683 /nfs/dbraw/zinc/43/66/83/621436683.db2.gz HVRMKEUFQGDHJY-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764688 621436756 /nfs/dbraw/zinc/43/67/56/621436756.db2.gz AIDNNFYXMZEGQN-ROUUACIJSA-N 2 0 288.435 2.586 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000903767113 621437223 /nfs/dbraw/zinc/43/72/23/621437223.db2.gz UHVAWICGVAUJPW-BBWFWOEESA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000903767524 621437242 /nfs/dbraw/zinc/43/72/42/621437242.db2.gz GSSQBUVLKDVFRM-OLZOCXBDSA-N 2 0 294.361 2.547 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCC(C2CCC2)CC1 ZINC000903766108 621437389 /nfs/dbraw/zinc/43/73/89/621437389.db2.gz OSOGIHGBRQYJIU-QGZVFWFLSA-N 2 0 292.467 2.657 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)C[C@@H]2CCCC[NH2+]C2)c1 ZINC000903755325 621437988 /nfs/dbraw/zinc/43/79/88/621437988.db2.gz FLWJCTOTNQFMOU-MRXNPFEDSA-N 2 0 275.440 2.574 20 0 CFADRP COc1nc(C)cc(C)c1CN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903770644 621438076 /nfs/dbraw/zinc/43/80/76/621438076.db2.gz XMRFCDHWDYWXQS-HNNXBMFYSA-N 2 0 291.439 2.529 20 0 CFADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757568 621438474 /nfs/dbraw/zinc/43/84/74/621438474.db2.gz DLKJMHVCHPTEIF-UOVPBQLFSA-N 2 0 288.435 2.537 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H](C)c1ccccc1 ZINC000903757559 621438515 /nfs/dbraw/zinc/43/85/15/621438515.db2.gz DLKJMHVCHPTEIF-FZCLSBEQSA-N 2 0 288.435 2.537 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903756169 621438548 /nfs/dbraw/zinc/43/85/48/621438548.db2.gz PFNKRCPPHUUXFW-FUHWJXTLSA-N 2 0 287.451 2.953 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903777368 621440185 /nfs/dbraw/zinc/44/01/85/621440185.db2.gz APSLKXMBDZMICS-FGTMMUONSA-N 2 0 292.467 2.657 20 0 CFADRP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H]1CCCC[NH2+]C1 ZINC000903779851 621440391 /nfs/dbraw/zinc/44/03/91/621440391.db2.gz CBGFSDPHQMRAIZ-OAHLLOKOSA-N 2 0 271.408 2.989 20 0 CFADRP FC1(F)C[C@]2(CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)C1(F)F ZINC000903784229 621441302 /nfs/dbraw/zinc/44/13/02/621441302.db2.gz MAFKWCKEABGNCP-RYUDHWBXSA-N 2 0 294.336 2.743 20 0 CFADRP C([C@H]1CCCC[NH2+]C1)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000903789461 621442218 /nfs/dbraw/zinc/44/22/18/621442218.db2.gz XRMLVVSWRVCZAE-DOTOQJQBSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2CF)CC[C@@H]1C[NH3+] ZINC000903789622 621442485 /nfs/dbraw/zinc/44/24/85/621442485.db2.gz YNBSOCQIRNHYCC-TZMCWYRMSA-N 2 0 250.361 2.573 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCCC2CC[NH2+]CC2)CCC1 ZINC000903810781 621446664 /nfs/dbraw/zinc/44/66/64/621446664.db2.gz HUILYYDCZKLUMV-KRWDZBQOSA-N 3 0 293.499 2.750 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2C[C@@H]2CC3(CCC3)CO2)CCC1 ZINC000903810768 621446755 /nfs/dbraw/zinc/44/67/55/621446755.db2.gz HNRSKOJMZGXSJA-JKSUJKDBSA-N 2 0 292.467 2.929 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCC1 ZINC000903811269 621446878 /nfs/dbraw/zinc/44/68/78/621446878.db2.gz KRKIPGPAXPSBLI-NXOAAHMSSA-N 2 0 292.467 2.928 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccccc2)CCC1 ZINC000903810590 621447073 /nfs/dbraw/zinc/44/70/73/621447073.db2.gz FKCFSDKQZCEMCD-SJORKVTESA-N 2 0 288.435 2.704 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812683 621447730 /nfs/dbraw/zinc/44/77/30/621447730.db2.gz VZUVFVHLVLXNPI-MRXNPFEDSA-N 2 0 273.424 2.874 20 0 CFADRP C[C@@H]1CSCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903830117 621451825 /nfs/dbraw/zinc/45/18/25/621451825.db2.gz SXUUPWLFDLCOSZ-CYBMUJFWSA-N 2 0 276.449 2.660 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000903843557 621454590 /nfs/dbraw/zinc/45/45/90/621454590.db2.gz NBVXLAYRPTVMCG-XZJROXQQSA-N 2 0 285.366 2.686 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000903844005 621454946 /nfs/dbraw/zinc/45/49/46/621454946.db2.gz ZDNUKCPANRICDA-HPGNRBDVSA-N 2 0 260.356 2.625 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccccc1Cl)C2 ZINC000903850888 621456081 /nfs/dbraw/zinc/45/60/81/621456081.db2.gz ZICRVUFVFMKOQQ-XQQFMLRXSA-N 2 0 280.799 2.530 20 0 CFADRP CC(C)[N@@H+](Cc1ccccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903887338 621459540 /nfs/dbraw/zinc/45/95/40/621459540.db2.gz YXWINTRZRSWTGP-MQVJKMGUSA-N 2 0 273.424 2.823 20 0 CFADRP Cc1cccc2c1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903890543 621460810 /nfs/dbraw/zinc/46/08/10/621460810.db2.gz DUHWFMWZRCFXIP-ZXFUBFMLSA-N 2 0 270.420 2.884 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903874776 621462850 /nfs/dbraw/zinc/46/28/50/621462850.db2.gz JOEGNSMAUIBCEX-ROUUACIJSA-N 2 0 294.483 2.905 20 0 CFADRP C(C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1)C1CC[NH2+]CC1 ZINC000903876529 621462857 /nfs/dbraw/zinc/46/28/57/621462857.db2.gz YTTWSNQUFMOTOQ-IRXDYDNUSA-N 2 0 280.456 2.515 20 0 CFADRP CCCCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(C)C ZINC000903883039 621464126 /nfs/dbraw/zinc/46/41/26/621464126.db2.gz DPDAQEQUKPYIBQ-OAHLLOKOSA-N 2 0 293.459 2.603 20 0 CFADRP C[C@@H](c1ccccn1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903904052 621468936 /nfs/dbraw/zinc/46/89/36/621468936.db2.gz ZYSYRHYWGXENEK-AVOUXACISA-N 2 0 259.397 2.605 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921860 621473472 /nfs/dbraw/zinc/47/34/72/621473472.db2.gz RPZFPUSJJZNIQV-FFHGMXDLSA-N 2 0 274.408 2.876 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC(C)(C)[NH3+])CC1 ZINC000903939398 621475429 /nfs/dbraw/zinc/47/54/29/621475429.db2.gz GMOUHSDTLWBSFW-GOEBONIOSA-N 2 0 281.488 2.747 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000903937971 621478159 /nfs/dbraw/zinc/47/81/59/621478159.db2.gz WMDZWJXNTOEQBD-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP Cn1cc(C[NH2+]CCC(C)(C)[NH3+])c(C2CCCCC2)n1 ZINC000903938460 621478269 /nfs/dbraw/zinc/47/82/69/621478269.db2.gz BPGPIESQNYRZPO-UHFFFAOYSA-N 2 0 278.444 2.685 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000903958162 621479863 /nfs/dbraw/zinc/47/98/63/621479863.db2.gz WIHZCWJCFLCYMS-WCQYABFASA-N 2 0 286.341 2.764 20 0 CFADRP CC(C)([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000903959967 621480593 /nfs/dbraw/zinc/48/05/93/621480593.db2.gz TZGJKSBESIWRFX-UHFFFAOYSA-N 2 0 268.351 2.789 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000903959744 621480596 /nfs/dbraw/zinc/48/05/96/621480596.db2.gz NJLLXVMJRIHAEY-ZACQAIPSSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903940100 621481613 /nfs/dbraw/zinc/48/16/13/621481613.db2.gz XAMBGMALOKLMEB-AWEZNQCLSA-N 2 0 294.439 2.742 20 0 CFADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC(C)(C)[NH3+] ZINC000903940105 621481758 /nfs/dbraw/zinc/48/17/58/621481758.db2.gz XCKAEJMJAWYZAT-NSHDSACASA-N 2 0 297.830 2.774 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903949522 621486215 /nfs/dbraw/zinc/48/62/15/621486215.db2.gz BMHJLVRAWXUOAA-WMLDXEAASA-N 2 0 296.418 2.589 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000903954597 621489504 /nfs/dbraw/zinc/48/95/04/621489504.db2.gz GCEKMIFLRCFDJV-CYBMUJFWSA-N 2 0 260.372 2.791 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000903953898 621489565 /nfs/dbraw/zinc/48/95/65/621489565.db2.gz NFLZCMTXFYFUCG-ZBFHGGJFSA-N 2 0 293.480 2.706 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C[C@H]1C ZINC000903955682 621490235 /nfs/dbraw/zinc/49/02/35/621490235.db2.gz AGHXFUDMWZLBTJ-LPWJVIDDSA-N 2 0 260.372 2.646 20 0 CFADRP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000903956245 621490938 /nfs/dbraw/zinc/49/09/38/621490938.db2.gz JTKMQMQQWCIXPF-MJBXVCDLSA-N 2 0 272.383 2.790 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CNCC3(CCOCC3)C2)C1 ZINC000903971483 621491513 /nfs/dbraw/zinc/49/15/13/621491513.db2.gz BXMUZWZJOFELRE-ZACQAIPSSA-N 2 0 294.483 2.951 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903973887 621492401 /nfs/dbraw/zinc/49/24/01/621492401.db2.gz HXBDJLASSTUPIF-GDBMZVCRSA-N 2 0 276.424 2.809 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974142 621492452 /nfs/dbraw/zinc/49/24/52/621492452.db2.gz JYVVCBZEYINWKF-HLLBOEOZSA-N 2 0 260.425 2.761 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000903974455 621492786 /nfs/dbraw/zinc/49/27/86/621492786.db2.gz NJCSDOKYGWWQDD-ZYHUDNBSSA-N 2 0 270.779 2.814 20 0 CFADRP CCCOc1cccc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903974353 621492929 /nfs/dbraw/zinc/49/29/29/621492929.db2.gz PEARLFIWDYPXAD-GDBMZVCRSA-N 2 0 276.424 2.811 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000903974515 621493129 /nfs/dbraw/zinc/49/31/29/621493129.db2.gz QFXLRTBTSXVZDS-TZMCWYRMSA-N 2 0 287.382 2.709 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)C[C@H]1CC[NH3+] ZINC000903977188 621493323 /nfs/dbraw/zinc/49/33/23/621493323.db2.gz LEYHXSXDIXNBQH-BTBCPRSTSA-N 2 0 280.362 2.895 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@H]1CC[NH3+] ZINC000903977048 621493707 /nfs/dbraw/zinc/49/37/07/621493707.db2.gz HQTHCGVZYIZDLQ-KXAWDHGWSA-N 2 0 262.372 2.756 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]1 ZINC000903978959 621494041 /nfs/dbraw/zinc/49/40/41/621494041.db2.gz PSLNIJCTFFVNBZ-UTUOFQBUSA-N 2 0 294.336 2.741 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC[NH2+]1 ZINC000903978958 621494193 /nfs/dbraw/zinc/49/41/93/621494193.db2.gz PSLNIJCTFFVNBZ-IJLUTSLNSA-N 2 0 294.336 2.741 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978890 621494238 /nfs/dbraw/zinc/49/42/38/621494238.db2.gz OHIKOISYIOPYDK-HZPDHXFCSA-N 2 0 298.434 2.516 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC000903964005 621495771 /nfs/dbraw/zinc/49/57/71/621495771.db2.gz DLGPBJBXSFCRDH-DYVFJYSZSA-N 2 0 254.377 2.785 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000903963890 621495897 /nfs/dbraw/zinc/49/58/97/621495897.db2.gz ITRKASPLBOUPSA-MXASKKJJSA-N 2 0 258.409 2.595 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000903967772 621496311 /nfs/dbraw/zinc/49/63/11/621496311.db2.gz NYHIUHMDATUVEL-XLNGHYISSA-N 2 0 258.409 2.768 20 0 CFADRP Cc1nc2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3C)cc2s1 ZINC000903967048 621496422 /nfs/dbraw/zinc/49/64/22/621496422.db2.gz FLSBHLMIQQSZOC-MFKMUULPSA-N 2 0 275.421 2.550 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968688 621497135 /nfs/dbraw/zinc/49/71/35/621497135.db2.gz YPVUVGOTGBYGMJ-BZPMIXESSA-N 2 0 252.427 2.514 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)CC3 ZINC000903968533 621497137 /nfs/dbraw/zinc/49/71/37/621497137.db2.gz XPQFJXGWWOZHQI-QLFBSQMISA-N 2 0 297.446 2.779 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903968691 621497147 /nfs/dbraw/zinc/49/71/47/621497147.db2.gz YQYARGMNRASJKR-YPMHNXCESA-N 2 0 252.789 2.594 20 0 CFADRP F[C@@H]1COc2ccccc2[C@@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903986553 621498954 /nfs/dbraw/zinc/49/89/54/621498954.db2.gz MABHGAXNAAEXRU-ABYZZXGZSA-N 2 0 290.382 2.578 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000903988477 621500021 /nfs/dbraw/zinc/50/00/21/621500021.db2.gz SQPYDCSJIQISNB-KFWWJZLASA-N 2 0 293.480 2.786 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](Cc3nccs3)C2)CC[NH2+]1 ZINC000903988479 621500052 /nfs/dbraw/zinc/50/00/52/621500052.db2.gz SQPYDCSJIQISNB-RBSFLKMASA-N 2 0 293.480 2.786 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903988475 621500237 /nfs/dbraw/zinc/50/02/37/621500237.db2.gz SQKBSJWLTSWWJQ-JKSUJKDBSA-N 2 0 275.440 2.928 20 0 CFADRP C[N@H+](C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000904307019 621569558 /nfs/dbraw/zinc/56/95/58/621569558.db2.gz ICWWYULXPCFIOZ-SJORKVTESA-N 2 0 258.409 2.995 20 0 CFADRP Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]C1 ZINC000904304244 621569629 /nfs/dbraw/zinc/56/96/29/621569629.db2.gz WNLVJCQWUXHQEE-HOTGVXAUSA-N 2 0 261.413 2.552 20 0 CFADRP C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312029 621570959 /nfs/dbraw/zinc/57/09/59/621570959.db2.gz DOECQZBRCNGMIA-XBXGTLAGSA-N 2 0 282.815 2.778 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000904313410 621571436 /nfs/dbraw/zinc/57/14/36/621571436.db2.gz GBAYEMRSVZHTBM-HNNXBMFYSA-N 2 0 283.504 2.946 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000904313846 621571674 /nfs/dbraw/zinc/57/16/74/621571674.db2.gz LNJNSTWLJJFZGM-JKSUJKDBSA-N 2 0 281.488 2.700 20 0 CFADRP CC(C)[NH2+]C1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904316330 621572459 /nfs/dbraw/zinc/57/24/59/621572459.db2.gz LMTQSXIVDXBWQQ-CQSZACIVSA-N 2 0 269.477 2.602 20 0 CFADRP CCC[N@H+](C[C@]1(C)CCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000904322382 621574061 /nfs/dbraw/zinc/57/40/61/621574061.db2.gz BAWNONXCZNUOPX-YFHUEUNASA-N 2 0 294.483 2.902 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@]2(C)CCC[NH2+]C2)n1 ZINC000904321724 621574291 /nfs/dbraw/zinc/57/42/91/621574291.db2.gz DINHIRMHAMMDQX-SJORKVTESA-N 2 0 273.424 2.917 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CCC[NH2+]C1 ZINC000904325306 621575694 /nfs/dbraw/zinc/57/56/94/621575694.db2.gz VNIGIVOBKQQQSY-ROUUACIJSA-N 2 0 287.451 2.953 20 0 CFADRP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@]3(C)CCC[NH2+]C3)C2)C1 ZINC000904332126 621576595 /nfs/dbraw/zinc/57/65/95/621576595.db2.gz NLTHUUCEDMUKDN-OWCLPIDISA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)[C@@H]2CCCC[C@H]21 ZINC000904331981 621577081 /nfs/dbraw/zinc/57/70/81/621577081.db2.gz LWSWANGQNUXTIR-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP c1cc2c(cc1CN1CC[C@@]3(C1)CCC[NH2+]C3)CCCO2 ZINC000904334222 621577501 /nfs/dbraw/zinc/57/75/01/621577501.db2.gz PIHJDYLTESNEQN-SFHVURJKSA-N 2 0 286.419 2.587 20 0 CFADRP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904340342 621577889 /nfs/dbraw/zinc/57/78/89/621577889.db2.gz HMZZEAKBCCQBCJ-LBEHMCEESA-N 2 0 274.408 2.815 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(OCc3ccccc3F)CC2)C1 ZINC000904343870 621579064 /nfs/dbraw/zinc/57/90/64/621579064.db2.gz YIEXHASFZGCBEI-OTVXOJSOSA-N 2 0 292.398 2.544 20 0 CFADRP c1cc2c(cc1CN1CCC[C@]3(CC[NH2+]C3)C1)CCCO2 ZINC000904351452 621581330 /nfs/dbraw/zinc/58/13/30/621581330.db2.gz ZARPFPAVJDRTRS-GOSISDBHSA-N 2 0 286.419 2.587 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCc3cc(N)ccc32)CCC[NH2+]C1 ZINC000904356705 621582482 /nfs/dbraw/zinc/58/24/82/621582482.db2.gz YAAONKCIFJQJDE-SJORKVTESA-N 2 0 273.424 2.626 20 0 CFADRP C[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)C1CCOCC1 ZINC000904361175 621582899 /nfs/dbraw/zinc/58/28/99/621582899.db2.gz WZXGGNWZPYTEFF-TZMCWYRMSA-N 2 0 256.434 2.545 20 0 CFADRP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904361146 621583059 /nfs/dbraw/zinc/58/30/59/621583059.db2.gz WLCSJSFBXQQWIP-HKCMKHECSA-N 2 0 282.815 2.743 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]([NH3+])CCC(C)(C)C)CC[NH2+]CC2 ZINC000904373141 621584511 /nfs/dbraw/zinc/58/45/11/621584511.db2.gz BUJQJXODRRMPQE-CABCVRRESA-N 3 0 281.488 2.604 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)C(C)(C)C ZINC000904366433 621586024 /nfs/dbraw/zinc/58/60/24/621586024.db2.gz KJTNLJWRPUYOEE-MRXNPFEDSA-N 2 0 283.504 2.850 20 0 CFADRP COc1ccc(C[NH2+]C2CC(C[NH3+])C2)c(C(F)(F)F)c1 ZINC000904366698 621586054 /nfs/dbraw/zinc/58/60/54/621586054.db2.gz PGVDQHBBKZDROY-UHFFFAOYSA-N 2 0 288.313 2.541 20 0 CFADRP CC1(C)C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCc2ccccc21 ZINC000904377675 621587697 /nfs/dbraw/zinc/58/76/97/621587697.db2.gz WKDZCMKWDHFHFI-OTVXOJSOSA-N 2 0 258.409 2.560 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000904384391 621588173 /nfs/dbraw/zinc/58/81/73/621588173.db2.gz KHWAZIBQFWOGKF-QGZVFWFLSA-N 3 0 287.451 2.547 20 0 CFADRP CC[C@@](C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000904383635 621588303 /nfs/dbraw/zinc/58/83/03/621588303.db2.gz AQYGYIHYOYUQCO-BYCMXARLSA-N 2 0 250.361 2.778 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC[C@H]1C[NH3+] ZINC000904409971 621590793 /nfs/dbraw/zinc/59/07/93/621590793.db2.gz LAWMGUMOOZUHAX-PWSUYJOCSA-N 2 0 270.779 2.896 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1F ZINC000904409918 621590856 /nfs/dbraw/zinc/59/08/56/621590856.db2.gz KQKJLPWNTNOTPQ-TZMCWYRMSA-N 2 0 280.387 2.641 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1C[NH3+] ZINC000904409630 621591276 /nfs/dbraw/zinc/59/12/76/621591276.db2.gz DWPKQVUINUUFHB-WMLDXEAASA-N 2 0 288.435 2.892 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)s2)CC[C@H]1C[NH3+] ZINC000904409762 621591419 /nfs/dbraw/zinc/59/14/19/621591419.db2.gz HWMARDDUNOKPRR-NEPJUHHUSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@@H]1C[N@H+](CCSCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000904410039 621591710 /nfs/dbraw/zinc/59/17/10/621591710.db2.gz LTVXXUPBALZKEO-GDBMZVCRSA-N 2 0 278.465 2.837 20 0 CFADRP C[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@@H]1C[NH3+] ZINC000904410040 621591734 /nfs/dbraw/zinc/59/17/34/621591734.db2.gz LTVXXUPBALZKEO-GOEBONIOSA-N 2 0 278.465 2.837 20 0 CFADRP Cc1ncc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1-c1ccccc1 ZINC000904410540 621591889 /nfs/dbraw/zinc/59/18/89/621591889.db2.gz HGMTZDMVPRRCDW-GOEBONIOSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000904411590 621592538 /nfs/dbraw/zinc/59/25/38/621592538.db2.gz NUPJNYBGFMACDW-HOCLYGCPSA-N 2 0 298.434 2.504 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1OC(C)C ZINC000904410985 621592579 /nfs/dbraw/zinc/59/25/79/621592579.db2.gz SBCXPSQORUJPJY-CQSZACIVSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H]1C[N@H+](Cc2coc3ccccc23)CC[C@@H]1C[NH3+] ZINC000904411459 621592726 /nfs/dbraw/zinc/59/27/26/621592726.db2.gz NKXFZJFFGQYYNS-CHWSQXEVSA-N 2 0 258.365 2.850 20 0 CFADRP CCn1nccc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904415991 621594143 /nfs/dbraw/zinc/59/41/43/621594143.db2.gz DRVDWCTYWOJPMQ-HNNXBMFYSA-N 2 0 290.455 2.505 20 0 CFADRP Cn1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000904415866 621594225 /nfs/dbraw/zinc/59/42/25/621594225.db2.gz CGXONUNOQKRREV-INIZCTEOSA-N 2 0 275.440 2.627 20 0 CFADRP Cc1csc(C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000904432681 621595502 /nfs/dbraw/zinc/59/55/02/621595502.db2.gz FASQWPVUTNAXNW-SNPRPXQTSA-N 2 0 293.480 2.704 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000904434317 621595887 /nfs/dbraw/zinc/59/58/87/621595887.db2.gz VGWSGQGZNITCSE-INMHGKMJSA-N 2 0 280.456 2.513 20 0 CFADRP c1cc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420496 621596381 /nfs/dbraw/zinc/59/63/81/621596381.db2.gz QSIZXQQPXXALPK-JKSUJKDBSA-N 2 0 282.387 2.988 20 0 CFADRP c1ccc(-c2cccc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)nc1 ZINC000904420418 621596569 /nfs/dbraw/zinc/59/65/69/621596569.db2.gz OAIQKRFXKSBMJY-ZWKOTPCHSA-N 2 0 293.414 2.790 20 0 CFADRP C[C@]12C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000904462054 621597084 /nfs/dbraw/zinc/59/70/84/621597084.db2.gz GHNXYHYSQLOCDG-OCAOTOIVSA-N 2 0 272.436 2.661 20 0 CFADRP CCOc1cccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000904442709 621598585 /nfs/dbraw/zinc/59/85/85/621598585.db2.gz FJDGJZSEGDJDPC-UHFFFAOYSA-N 2 0 291.439 2.677 20 0 CFADRP Cc1cccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C(C)(C)C ZINC000904469586 621601197 /nfs/dbraw/zinc/60/11/97/621601197.db2.gz NHLIWYLFVSHEQZ-VNHYZAJKSA-N 2 0 261.413 2.804 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000904477888 621601746 /nfs/dbraw/zinc/60/17/46/621601746.db2.gz ZCBOURWKXLDLMV-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000904474814 621601764 /nfs/dbraw/zinc/60/17/64/621601764.db2.gz KZMMYVMLELUDFY-CABCVRRESA-N 2 0 298.434 2.897 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000906508045 621995228 /nfs/dbraw/zinc/99/52/28/621995228.db2.gz IUOOEBAHXICQSM-KYZUINATSA-N 2 0 278.705 2.938 20 0 CFADRP CSCCCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000184103961 625572810 /nfs/dbraw/zinc/57/28/10/625572810.db2.gz UXZNHDIUJXJFTP-KGLIPLIRSA-N 2 0 258.475 2.982 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)[C@@](C)(C[NH3+])CC(C)C)c1 ZINC000911682037 622534572 /nfs/dbraw/zinc/53/45/72/622534572.db2.gz GLJBYWNOLDUVII-QGZVFWFLSA-N 2 0 291.439 2.746 20 0 CFADRP c1csc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150749332 622736338 /nfs/dbraw/zinc/73/63/38/622736338.db2.gz DMNOBURYDQUOKR-CQSZACIVSA-N 2 0 264.438 2.708 20 0 CFADRP CCN(CC)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820804838 622759276 /nfs/dbraw/zinc/75/92/76/622759276.db2.gz AMJZBJLQFOPARJ-HNNXBMFYSA-N 2 0 277.456 2.741 20 0 CFADRP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811651 622763613 /nfs/dbraw/zinc/76/36/13/622763613.db2.gz TXYYOAXKBBSWFJ-KKUMJFAQSA-N 2 0 278.440 2.806 20 0 CFADRP C[C@H]([NH2+]CCC1(C)OCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820842380 622773017 /nfs/dbraw/zinc/77/30/17/622773017.db2.gz TZSLNSQRXIHUGY-AWEZNQCLSA-N 2 0 292.423 2.552 20 0 CFADRP CC[NH+](CC)Cc1ccc(CNc2cc(C)[nH+]c(N)n2)cc1 ZINC000045724825 623021141 /nfs/dbraw/zinc/02/11/41/623021141.db2.gz AWWXWBYMBPIEAJ-UHFFFAOYSA-N 2 0 299.422 2.821 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000225151085 623028881 /nfs/dbraw/zinc/02/88/81/623028881.db2.gz KUQGUBWVWFRGJE-SMDDNHRTSA-N 2 0 252.427 2.918 20 0 CFADRP [NH3+][C@H]1C[C@@H](NCC[NH+]2CCCCCC2)c2ccccc21 ZINC000157419585 623032182 /nfs/dbraw/zinc/03/21/82/623032182.db2.gz XUFFHJYVVJZHQA-DLBZAZTESA-N 2 0 273.424 2.597 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CC(C)C ZINC000877074049 623053008 /nfs/dbraw/zinc/05/30/08/623053008.db2.gz YIEGMAGIOBVUHA-ZNMIVQPWSA-N 2 0 256.434 2.510 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000227137998 623098008 /nfs/dbraw/zinc/09/80/08/623098008.db2.gz RABLQRQQVBTCGN-KSZLIROESA-N 2 0 287.451 2.541 20 0 CFADRP CCN1CCC([N@H+](C)CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822663222 623145937 /nfs/dbraw/zinc/14/59/37/623145937.db2.gz ACHUQPBASUGQKQ-NSHDSACASA-N 2 0 279.255 2.986 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1sccc1Br ZINC000087575135 623187012 /nfs/dbraw/zinc/18/70/12/623187012.db2.gz QIRWNQNUPHCSJM-PSASIEDQSA-N 2 0 289.242 2.728 20 0 CFADRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000062253024 623255028 /nfs/dbraw/zinc/25/50/28/623255028.db2.gz CBPZDPDRWGNNCJ-GJZGRUSLSA-N 2 0 280.412 2.567 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000173363620 623344953 /nfs/dbraw/zinc/34/49/53/623344953.db2.gz AMMIVQDHBSGXNO-QAPCUYQASA-N 2 0 298.434 2.692 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC000173886212 623373463 /nfs/dbraw/zinc/37/34/63/623373463.db2.gz VHMCSZSBAKULLT-ZDUSSCGKSA-N 2 0 252.427 2.564 20 0 CFADRP OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000824564366 623524147 /nfs/dbraw/zinc/52/41/47/623524147.db2.gz KKGNPTCKRRHQFR-BRSBDYLESA-N 2 0 294.483 2.782 20 0 CFADRP Cc1cccc([C@H](O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000929724253 623526827 /nfs/dbraw/zinc/52/68/27/623526827.db2.gz YKCNGMGXUGMOEZ-ZWKOTPCHSA-N 2 0 290.451 2.835 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000089140483 623570640 /nfs/dbraw/zinc/57/06/40/623570640.db2.gz TXIHIFSSESYTHR-LNSITVRQSA-N 2 0 250.361 2.994 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Cl)nc1 ZINC000824913600 623587601 /nfs/dbraw/zinc/58/76/01/623587601.db2.gz BWLCVHOJXCYRKM-UHFFFAOYSA-N 2 0 269.820 2.945 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000313106081 623663590 /nfs/dbraw/zinc/66/35/90/623663590.db2.gz JBFQVXGJGHDRRN-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000929791307 623689296 /nfs/dbraw/zinc/68/92/96/623689296.db2.gz RLZWNFLGEBRHMC-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CC1(C)CC([NH2+]C[C@@H](O)c2ccccc2F)CC(C)(C)[NH2+]1 ZINC000914580839 623903167 /nfs/dbraw/zinc/90/31/67/623903167.db2.gz WISQMOVEUXUGCM-OAHLLOKOSA-N 2 0 294.414 2.758 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCSC(F)(F)F ZINC000123635475 624142772 /nfs/dbraw/zinc/14/27/72/624142772.db2.gz DPLZWRUGJPLXIX-SECBINFHSA-N 2 0 258.353 2.545 20 0 CFADRP CN(Cc1cccc2ccccc21)C[C@H](O)C[NH+]1CCCC1 ZINC000917009400 624299934 /nfs/dbraw/zinc/29/99/34/624299934.db2.gz AVLXMSYYQAUTRT-SFHVURJKSA-N 2 0 298.430 2.728 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000089749216 624386369 /nfs/dbraw/zinc/38/63/69/624386369.db2.gz ZRZWYAAVBBKUGY-GFCCVEGCSA-N 2 0 297.240 2.881 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C3CC(OC(C)(C)C)C3)C2)C1 ZINC000830027955 624603125 /nfs/dbraw/zinc/60/31/25/624603125.db2.gz CQDSTFKXNCGUCK-VMBOVVBDSA-N 2 0 280.456 2.750 20 0 CFADRP C[C@@H]([NH3+])[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000925473191 624622263 /nfs/dbraw/zinc/62/22/63/624622263.db2.gz KRCLEBKJSSWGDX-KDOFPFPSSA-N 2 0 287.451 2.539 20 0 CFADRP CS[C@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000921470692 624883089 /nfs/dbraw/zinc/88/30/89/624883089.db2.gz JXFQKIQLDXCLOT-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149650 625273632 /nfs/dbraw/zinc/27/36/32/625273632.db2.gz DOMPTORVXODXPR-HNNXBMFYSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000817908595 625962115 /nfs/dbraw/zinc/96/21/15/625962115.db2.gz SWMAGHXUXRXVKS-TUAOUCFPSA-N 2 0 254.805 2.986 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000921527441 625978167 /nfs/dbraw/zinc/97/81/67/625978167.db2.gz NJGZUNYTZUIDCU-GZBFAFLISA-N 2 0 268.470 2.735 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000921529377 625978618 /nfs/dbraw/zinc/97/86/18/625978618.db2.gz MFVCDLZFERNJRI-HSFUPAIVSA-N 2 0 294.483 2.902 20 0 CFADRP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000921617283 625994175 /nfs/dbraw/zinc/99/41/75/625994175.db2.gz CHJOLTDYUFCTPZ-QLFBSQMISA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000921686694 626078979 /nfs/dbraw/zinc/07/89/79/626078979.db2.gz OFYDJXDLLJLSMT-AWEZNQCLSA-N 2 0 288.435 2.832 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921825087 626148201 /nfs/dbraw/zinc/14/82/01/626148201.db2.gz CNAPSYPHEPZBKT-RBSFLKMASA-N 2 0 288.501 2.607 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CC[NH+](C2CC2)CC1 ZINC000922069864 626203257 /nfs/dbraw/zinc/20/32/57/626203257.db2.gz RMAUTPOYDXIUOE-IXDOHACOSA-N 2 0 292.467 2.656 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000922192195 626236748 /nfs/dbraw/zinc/23/67/48/626236748.db2.gz KRNFSIIAQYWMSG-UHFFFAOYSA-N 2 0 284.835 2.588 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)nn1C ZINC000922505482 626299499 /nfs/dbraw/zinc/29/94/99/626299499.db2.gz SIGXCZOMFAHUCO-UHFFFAOYSA-N 2 0 290.455 2.615 20 0 CFADRP C[NH2+]C[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000923282303 626462688 /nfs/dbraw/zinc/46/26/88/626462688.db2.gz MJMHUJXPSMWEJD-OAHLLOKOSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303701 626464330 /nfs/dbraw/zinc/46/43/30/626464330.db2.gz ISQJTYKMTJMJPD-DOMZBBRYSA-N 2 0 294.826 2.711 20 0 CFADRP Fc1cccc(C[C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)c1 ZINC000923307668 626464399 /nfs/dbraw/zinc/46/43/99/626464399.db2.gz YWOHAWMPVYLNBH-KRWDZBQOSA-N 2 0 276.399 2.975 20 0 CFADRP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923304286 626464747 /nfs/dbraw/zinc/46/47/47/626464747.db2.gz QNEWIBXGAWQFTE-QWHCGFSZSA-N 2 0 294.826 2.711 20 0 CFADRP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923304284 626464925 /nfs/dbraw/zinc/46/49/25/626464925.db2.gz QNEWIBXGAWQFTE-OLZOCXBDSA-N 2 0 294.826 2.711 20 0 CFADRP CC(C)CCOC1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923306440 626464946 /nfs/dbraw/zinc/46/49/46/626464946.db2.gz KMLBMBYZVCHQOT-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP C(C[NH+]1CCC(OCC2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923316020 626465327 /nfs/dbraw/zinc/46/53/27/626465327.db2.gz CUYTXFCNXQDOBR-ALOPSCKCSA-N 2 0 292.467 2.798 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)cc1 ZINC000923309139 626465434 /nfs/dbraw/zinc/46/54/34/626465434.db2.gz SKCKDVYWRRITBK-MRXNPFEDSA-N 2 0 260.381 2.671 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317511 626465510 /nfs/dbraw/zinc/46/55/10/626465510.db2.gz DKSHYRJMPUIDCR-KFWWJZLASA-N 2 0 280.456 2.559 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923327242 626466798 /nfs/dbraw/zinc/46/67/98/626466798.db2.gz RBJDKPHJBQSWRG-UHFFFAOYSA-N 2 0 287.451 2.729 20 0 CFADRP CC1([NH3+])CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000923346047 626468318 /nfs/dbraw/zinc/46/83/18/626468318.db2.gz MVKXLYOLWGLPJV-GOSISDBHSA-N 2 0 298.430 2.556 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923364529 626468608 /nfs/dbraw/zinc/46/86/08/626468608.db2.gz NRDZBADMOINKNN-NVXWUHKLSA-N 2 0 276.399 2.832 20 0 CFADRP Fc1cccc(CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000923364416 626468622 /nfs/dbraw/zinc/46/86/22/626468622.db2.gz MEBOIKPLGXUDQQ-KRWDZBQOSA-N 2 0 276.399 2.832 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923364530 626468630 /nfs/dbraw/zinc/46/86/30/626468630.db2.gz NRDZBADMOINKNN-RDJZCZTQSA-N 2 0 276.399 2.832 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000923362664 626469224 /nfs/dbraw/zinc/46/92/24/626469224.db2.gz MGGGPAZKKQRWEP-AAUYCNFHSA-N 2 0 292.467 2.641 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000923416482 626471114 /nfs/dbraw/zinc/47/11/14/626471114.db2.gz XFXQEDKYLJXDTL-DOTOQJQBSA-N 2 0 282.472 2.625 20 0 CFADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422392 626471512 /nfs/dbraw/zinc/47/15/12/626471512.db2.gz QYRNCHYPIUHJDK-QAPCUYQASA-N 3 0 293.499 2.748 20 0 CFADRP C[C@H](c1ccccc1F)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450734 626473906 /nfs/dbraw/zinc/47/39/06/626473906.db2.gz WZCOVWYPPFCJAF-KGLIPLIRSA-N 2 0 292.398 2.717 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000923484112 626476273 /nfs/dbraw/zinc/47/62/73/626476273.db2.gz VSXGKPPYJDWRAR-GFCCVEGCSA-N 2 0 289.354 2.651 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](CC[NH3+])C3)cc2)n1 ZINC000923482244 626476286 /nfs/dbraw/zinc/47/62/86/626476286.db2.gz CUWWQRWWKRPHEU-KRWDZBQOSA-N 2 0 298.434 2.660 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cc2c1 ZINC000923488096 626476410 /nfs/dbraw/zinc/47/64/10/626476410.db2.gz DFSKVSPHPCGFEZ-HOCLYGCPSA-N 2 0 283.419 2.960 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923496427 626476461 /nfs/dbraw/zinc/47/64/61/626476461.db2.gz IFFPWZQSKYLHST-GXTWGEPZSA-N 2 0 287.382 2.791 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923489814 626476523 /nfs/dbraw/zinc/47/65/23/626476523.db2.gz LJMWFSMNTZXNDA-VXGBXAGGSA-N 2 0 275.421 2.713 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1F ZINC000923490426 626476548 /nfs/dbraw/zinc/47/65/48/626476548.db2.gz CIBRCAIVIIFMGG-VXGBXAGGSA-N 2 0 268.351 2.690 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1Cl ZINC000923488776 626476571 /nfs/dbraw/zinc/47/65/71/626476571.db2.gz GSMJDZFOWCFMAE-RYUDHWBXSA-N 2 0 282.815 2.765 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000923495868 626476605 /nfs/dbraw/zinc/47/66/05/626476605.db2.gz DSTSADPABIUXQG-DGCLKSJQSA-N 2 0 282.815 2.765 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000923495871 626476614 /nfs/dbraw/zinc/47/66/14/626476614.db2.gz DSTSADPABIUXQG-YPMHNXCESA-N 2 0 282.815 2.765 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923493830 626476821 /nfs/dbraw/zinc/47/68/21/626476821.db2.gz IQYXGAAZUXLMMX-UONOGXRCSA-N 2 0 294.464 2.704 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923502623 626476995 /nfs/dbraw/zinc/47/69/95/626476995.db2.gz XUOOEFFRDGZLGA-WCQYABFASA-N 2 0 297.240 2.866 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@@H]1C[NH3+] ZINC000923497871 626477255 /nfs/dbraw/zinc/47/72/55/626477255.db2.gz MWAIZIVSKQMZBH-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H]1C[NH3+] ZINC000923500009 626477330 /nfs/dbraw/zinc/47/73/30/626477330.db2.gz UBKQPGNHDUMLLU-QWRGUYRKSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@@H]1C[NH3+] ZINC000923500670 626477451 /nfs/dbraw/zinc/47/74/51/626477451.db2.gz WRWWKNMCKAOTBI-NXEZZACHSA-N 2 0 258.818 2.818 20 0 CFADRP C[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923500229 626477510 /nfs/dbraw/zinc/47/75/10/626477510.db2.gz VRWIQHHQLULCSV-NEPJUHHUSA-N 2 0 284.806 2.938 20 0 CFADRP Cc1ccncc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506136 626477680 /nfs/dbraw/zinc/47/76/80/626477680.db2.gz HVUKZMPHHMMNAX-MRXNPFEDSA-N 2 0 287.451 2.992 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@@H]1CCCO1 ZINC000923506475 626477712 /nfs/dbraw/zinc/47/77/12/626477712.db2.gz JAGLDHSFWBZLLG-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507122 626477814 /nfs/dbraw/zinc/47/78/14/626477814.db2.gz MYJIXVONRHCKOD-KRWDZBQOSA-N 3 0 295.515 2.997 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCC[C@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000923515332 626478194 /nfs/dbraw/zinc/47/81/94/626478194.db2.gz QQBJSUIFBDCLNE-VDHUWJSZSA-N 2 0 288.435 2.823 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517556 626478452 /nfs/dbraw/zinc/47/84/52/626478452.db2.gz FBYCYEWMWMXTGN-GOEBONIOSA-N 2 0 274.408 2.515 20 0 CFADRP FC(F)c1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521523 626478475 /nfs/dbraw/zinc/47/84/75/626478475.db2.gz NPKOQEMZLLRCDU-UONOGXRCSA-N 2 0 266.335 2.666 20 0 CFADRP CO[C@H](CN1CC[C@]2(C1)CCCC[NH2+]2)C1CCCCC1 ZINC000923533440 626479066 /nfs/dbraw/zinc/47/90/66/626479066.db2.gz LGGXIFOKSIIQCZ-SJORKVTESA-N 2 0 280.456 2.800 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000759339919 626647155 /nfs/dbraw/zinc/64/71/55/626647155.db2.gz WJAXINSKTMVWOX-INIZCTEOSA-N 2 0 270.461 2.591 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760840769 626776558 /nfs/dbraw/zinc/77/65/58/626776558.db2.gz OSFFREOBIRITSV-MSOLQXFVSA-N 2 0 293.499 2.669 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCSC2)CCCC1 ZINC000760896547 626782876 /nfs/dbraw/zinc/78/28/76/626782876.db2.gz GLJUJHBQISAKQJ-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCCSC2)CCCC1 ZINC000760896549 626783022 /nfs/dbraw/zinc/78/30/22/626783022.db2.gz GLJUJHBQISAKQJ-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2F)CC[N@@H+]1C ZINC000764924559 627106719 /nfs/dbraw/zinc/10/67/19/627106719.db2.gz CCDPMLPIXUGKLG-KGLIPLIRSA-N 2 0 280.387 2.667 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2COc3c2cccc3Cl)CC1 ZINC000765784521 627158070 /nfs/dbraw/zinc/15/80/70/627158070.db2.gz RCWHKZMNKURTSL-AWEZNQCLSA-N 2 0 280.799 2.705 20 0 CFADRP CC[N@H+](CCF)CCCC1CC[NH+](CCF)CC1 ZINC000766285405 627191140 /nfs/dbraw/zinc/19/11/40/627191140.db2.gz YAHQFJAGMQZNFY-UHFFFAOYSA-N 2 0 262.388 2.740 20 0 CFADRP C[C@H](CC[NH2+]C1CC(C(F)F)C1)[NH+]1CCCCC1 ZINC000769553416 627455039 /nfs/dbraw/zinc/45/50/39/627455039.db2.gz HTBDJZQGGPTXLP-PNESKVBLSA-N 2 0 260.372 2.884 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771175617 627582072 /nfs/dbraw/zinc/58/20/72/627582072.db2.gz FFRVUAZVUGMAAG-ZDUSSCGKSA-N 2 0 279.815 2.654 20 0 CFADRP C[C@H](NCc1cccc(F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926243 634593691 /nfs/dbraw/zinc/59/36/91/634593691.db2.gz MGGOZNOQPAMLLK-UONOGXRCSA-N 2 0 291.414 2.963 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000772950580 627761540 /nfs/dbraw/zinc/76/15/40/627761540.db2.gz KJHMBYWDOOEKKY-CVEARBPZSA-N 2 0 276.424 2.836 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1cccc(F)c1 ZINC000773047249 627773997 /nfs/dbraw/zinc/77/39/97/627773997.db2.gz NYXDOPVVIWWGBB-OGHNNQOOSA-N 2 0 294.414 2.568 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)[C@@H]1CC[C@H](OC)C1 ZINC000851985059 634616021 /nfs/dbraw/zinc/61/60/21/634616021.db2.gz IIFYOCOYOLYVFA-CABCVRRESA-N 2 0 279.428 2.725 20 0 CFADRP C=Cn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000774999320 627983609 /nfs/dbraw/zinc/98/36/09/627983609.db2.gz GUARDTVPTXLLKV-UHFFFAOYSA-N 2 0 288.439 2.870 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775362147 628015834 /nfs/dbraw/zinc/01/58/34/628015834.db2.gz GNFFESUVRVUHPQ-HZSPNIEDSA-N 2 0 288.526 2.686 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1nccn1C ZINC000775398195 628020336 /nfs/dbraw/zinc/02/03/36/628020336.db2.gz YCUADVRNEBATJB-FHERZECASA-N 2 0 290.455 2.868 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)C1 ZINC000776161061 628108875 /nfs/dbraw/zinc/10/88/75/628108875.db2.gz SNGRWIVGQHYUJA-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000776170055 628110625 /nfs/dbraw/zinc/11/06/25/628110625.db2.gz YIPKDBQJDANDJO-AWEZNQCLSA-N 2 0 274.408 2.998 20 0 CFADRP C[N@@H+](Cc1ccc(CF)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000777592561 628239326 /nfs/dbraw/zinc/23/93/26/628239326.db2.gz WFIHVDJRPAULKU-MRXNPFEDSA-N 2 0 264.388 2.930 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852105126 634658858 /nfs/dbraw/zinc/65/88/58/634658858.db2.gz ISLWCYOQPVHJEA-DLBZAZTESA-N 2 0 282.472 2.735 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@]1(C)CC1(Cl)Cl)C2 ZINC000852105368 634659129 /nfs/dbraw/zinc/65/91/29/634659129.db2.gz ASSAAGOIJSYRBL-STQMWFEESA-N 2 0 291.266 2.988 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@@H](O)c1ccccc1)C2 ZINC000852106122 634660828 /nfs/dbraw/zinc/66/08/28/634660828.db2.gz UXWZLTSNIVLGLS-QZTJIDSGSA-N 2 0 288.435 2.528 20 0 CFADRP OCCCCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852115618 634662410 /nfs/dbraw/zinc/66/24/10/634662410.db2.gz RIWHGXAFRQSIHX-UHFFFAOYSA-N 2 0 290.451 2.793 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000783224248 628688735 /nfs/dbraw/zinc/68/87/35/628688735.db2.gz PKGORAHDWQJBOI-XJKSGUPXSA-N 2 0 262.397 2.515 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000783245174 628692482 /nfs/dbraw/zinc/69/24/82/628692482.db2.gz XWPUPIBPHQPOCI-KBXCAEBGSA-N 2 0 288.435 2.531 20 0 CFADRP C(C[C@H]1CCOC1)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000783637079 628729031 /nfs/dbraw/zinc/72/90/31/628729031.db2.gz CTUZBGXFOOGYCU-GTPINHCMSA-N 2 0 280.456 2.800 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C(C)(C)C1CCOCC1 ZINC000786153923 628939895 /nfs/dbraw/zinc/93/98/95/628939895.db2.gz SZNDYIGPILMBCB-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)nc2C)C[C@@H]1C ZINC000787184426 628997871 /nfs/dbraw/zinc/99/78/71/628997871.db2.gz YRHIGPPQSXOJQJ-WFASDCNBSA-N 2 0 279.403 2.834 20 0 CFADRP CC[N@@H+](Cc1cccs1)CC1CC[NH+](C)CC1 ZINC000788471509 629072494 /nfs/dbraw/zinc/07/24/94/629072494.db2.gz WIGCJTYZLLXDHJ-UHFFFAOYSA-N 2 0 252.427 2.912 20 0 CFADRP C[NH+]1CCC(C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000788481611 629073392 /nfs/dbraw/zinc/07/33/92/629073392.db2.gz GOGPMUAQAHWNNZ-UHFFFAOYSA-N 2 0 288.435 2.946 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc[nH]c(=O)c1 ZINC000788525013 629078857 /nfs/dbraw/zinc/07/88/57/629078857.db2.gz AOQRUFLSAUHCAH-OAHLLOKOSA-N 2 0 291.439 2.950 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788594659 629084384 /nfs/dbraw/zinc/08/43/84/629084384.db2.gz OHJVBWSNOMJJQA-ZIAGYGMSSA-N 2 0 277.412 2.558 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccnc(Cl)c1F)C1CC1 ZINC000835064646 629366562 /nfs/dbraw/zinc/36/65/62/629366562.db2.gz XOOOBPCFRCSHRG-UHFFFAOYSA-N 2 0 285.794 2.838 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCSC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000796812154 629970670 /nfs/dbraw/zinc/97/06/70/629970670.db2.gz QSHFFKNQYQHFBA-IHRRRGAJSA-N 2 0 270.486 2.981 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852568148 634783478 /nfs/dbraw/zinc/78/34/78/634783478.db2.gz UTSNJAVAEGVHSZ-NVXWUHKLSA-N 2 0 275.440 2.724 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000852743782 634819373 /nfs/dbraw/zinc/81/93/73/634819373.db2.gz KCLCJBCQWPQFFY-ZBFHGGJFSA-N 2 0 258.409 2.777 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ccnc2ccccc12 ZINC000843126174 630805350 /nfs/dbraw/zinc/80/53/50/630805350.db2.gz BTEXCDMESCYBTF-UHFFFAOYSA-N 2 0 257.381 2.844 20 0 CFADRP CCOc1ccccc1C[NH2+]CCCCCC[NH3+] ZINC000843128425 630830214 /nfs/dbraw/zinc/83/02/14/630830214.db2.gz LFGZKLJYIAUKGG-UHFFFAOYSA-N 2 0 250.386 2.694 20 0 CFADRP C[C@@H]1CCC[C@@](CNC(=O)CCCCCC[NH3+])([NH+](C)C)C1 ZINC000040670680 649985575 /nfs/dbraw/zinc/98/55/75/649985575.db2.gz ZRIVBBIBQUJUHF-NVXWUHKLSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000809737417 631275153 /nfs/dbraw/zinc/27/51/53/631275153.db2.gz HONMWTDFURRRGL-CRAIPNDOSA-N 2 0 290.451 2.995 20 0 CFADRP Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000809739003 631275550 /nfs/dbraw/zinc/27/55/50/631275550.db2.gz SWJJAXUVHXKPIV-UHFFFAOYSA-N 2 0 299.418 2.789 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1CCC=CO1 ZINC000809749707 631279339 /nfs/dbraw/zinc/27/93/39/631279339.db2.gz QRLXAFCKWJCDPV-OAHLLOKOSA-N 2 0 254.418 2.733 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1CCC=CO1 ZINC000809749705 631280211 /nfs/dbraw/zinc/28/02/11/631280211.db2.gz QRLXAFCKWJCDPV-HNNXBMFYSA-N 2 0 254.418 2.733 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000841019234 631307691 /nfs/dbraw/zinc/30/76/91/631307691.db2.gz DGWTWNLMBYUQKY-ZDUSSCGKSA-N 2 0 268.788 2.532 20 0 CFADRP Cc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000841018759 631308067 /nfs/dbraw/zinc/30/80/67/631308067.db2.gz QUXGKTBCUXGAQO-IAGOWNOFSA-N 2 0 287.451 2.505 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000841029007 631310735 /nfs/dbraw/zinc/31/07/35/631310735.db2.gz DGIZYCHOBQJFLX-HZPDHXFCSA-N 2 0 276.424 2.919 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841033297 631314147 /nfs/dbraw/zinc/31/41/47/631314147.db2.gz MRBIQFNWPGLKGJ-YJBOKZPZSA-N 2 0 289.467 2.588 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000841057069 631324515 /nfs/dbraw/zinc/32/45/15/631324515.db2.gz HKOOTDZKQJINSS-AEFFLSMTSA-N 2 0 293.499 2.891 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)ccc2O1 ZINC000841058543 631325718 /nfs/dbraw/zinc/32/57/18/631325718.db2.gz SLRCLZFXUXKRMI-LSDHHAIUSA-N 2 0 274.408 2.760 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)ccc2O1 ZINC000841058542 631326422 /nfs/dbraw/zinc/32/64/22/631326422.db2.gz SLRCLZFXUXKRMI-HUUCEWRRSA-N 2 0 274.408 2.760 20 0 CFADRP CC1(C)Cc2cc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)ccc2O1 ZINC000841072622 631330475 /nfs/dbraw/zinc/33/04/75/631330475.db2.gz LONIIWWDGAILRN-MRXNPFEDSA-N 2 0 288.435 2.878 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cnc1Cl ZINC000841083566 631333937 /nfs/dbraw/zinc/33/39/37/631333937.db2.gz SGNNCTBZYQSGNJ-JOCQHMNTSA-N 2 0 281.831 2.898 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1C ZINC000841084943 631334507 /nfs/dbraw/zinc/33/45/07/631334507.db2.gz QSRYJDXHNBAVGS-DZGCQCFKSA-N 2 0 262.397 2.529 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000842221347 631567809 /nfs/dbraw/zinc/56/78/09/631567809.db2.gz RZZMYXNAHWFPBG-MRXNPFEDSA-N 2 0 290.451 2.736 20 0 CFADRP CC(C)[C@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCC1 ZINC000840235629 631585776 /nfs/dbraw/zinc/58/57/76/631585776.db2.gz MZLRDDAPJXSMEU-HZPDHXFCSA-N 2 0 296.455 2.524 20 0 CFADRP COC1CCC([N@H+](C)CCCCCCC[NH3+])CC1 ZINC000842473006 631639061 /nfs/dbraw/zinc/63/90/61/631639061.db2.gz LWTPOUDSVGGCJP-UHFFFAOYSA-N 2 0 256.434 2.785 20 0 CFADRP COc1cccc2c1CC[N@H+](CCCCCCC[NH3+])C2 ZINC000842476923 631642118 /nfs/dbraw/zinc/64/21/18/631642118.db2.gz XCRAMAHMQYZBOI-UHFFFAOYSA-N 2 0 276.424 2.963 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CO1 ZINC000842674382 631702154 /nfs/dbraw/zinc/70/21/54/631702154.db2.gz ZIUUAUSRYAORHT-RHSMWYFYSA-N 2 0 280.456 2.798 20 0 CFADRP CCCCn1nc(C)c(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1Cl ZINC000843058134 631821411 /nfs/dbraw/zinc/82/14/11/631821411.db2.gz PXBXCGNLACDEQL-WCQYABFASA-N 2 0 298.862 2.814 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000843125337 631843801 /nfs/dbraw/zinc/84/38/01/631843801.db2.gz SOJDROJYVIITIA-UONOGXRCSA-N 2 0 279.815 2.557 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCCCC[NH3+])CC2 ZINC000843126492 631844928 /nfs/dbraw/zinc/84/49/28/631844928.db2.gz HEZGNRXUUYEVOW-INIZCTEOSA-N 2 0 276.424 2.661 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000843128153 631847570 /nfs/dbraw/zinc/84/75/70/631847570.db2.gz IENJMOBZFHNZKD-UHFFFAOYSA-N 2 0 281.347 2.771 20 0 CFADRP Clc1ncccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843128325 631847883 /nfs/dbraw/zinc/84/78/83/631847883.db2.gz VYQIADFYHFLROJ-ZDUSSCGKSA-N 2 0 279.815 2.557 20 0 CFADRP c1[nH]nc2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc12 ZINC000843127953 631847911 /nfs/dbraw/zinc/84/79/11/631847911.db2.gz USEGKKVDYOMKNY-WBVHZDCISA-N 2 0 298.434 2.775 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1ccccc1OC(F)F ZINC000843129020 631848828 /nfs/dbraw/zinc/84/88/28/631848828.db2.gz OWJAFBUTTCDJLP-UHFFFAOYSA-N 2 0 272.339 2.897 20 0 CFADRP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843339968 631930208 /nfs/dbraw/zinc/93/02/08/631930208.db2.gz GEAGVWOUJJLBSL-RYPNDVFKSA-N 2 0 294.464 2.538 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1(Cl)Cl ZINC000843340965 631931266 /nfs/dbraw/zinc/93/12/66/631931266.db2.gz WUCJEPDYKSOQON-IRCOFANPSA-N 2 0 277.239 2.548 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843340007 631931373 /nfs/dbraw/zinc/93/13/73/631931373.db2.gz GRVGENPCELNZSS-DJIMGWMZSA-N 2 0 287.451 2.620 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])CN1Cc1ccccc1 ZINC000843340582 631931400 /nfs/dbraw/zinc/93/14/00/631931400.db2.gz BYYQYRBECXBJLG-SJLPKXTDSA-N 2 0 289.467 2.758 20 0 CFADRP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843340387 631931515 /nfs/dbraw/zinc/93/15/15/631931515.db2.gz LQHMQSKDEQZNGM-QJDSLDPUSA-N 2 0 256.393 2.678 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000843340661 631931573 /nfs/dbraw/zinc/93/15/73/631931573.db2.gz DDNYSKQXBRQZRQ-MRXNPFEDSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccnc(Cl)c1 ZINC000843342770 631932600 /nfs/dbraw/zinc/93/26/00/631932600.db2.gz UJSDEVWBQFXFIH-LLVKDONJSA-N 2 0 255.793 2.905 20 0 CFADRP Fc1ccccc1OCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843341975 631932605 /nfs/dbraw/zinc/93/26/05/631932605.db2.gz YVKFVSKQCJECOF-RRFJBIMHSA-N 2 0 292.398 2.572 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CCCCCC[NH3+] ZINC000843343818 631933290 /nfs/dbraw/zinc/93/32/90/631933290.db2.gz ZSBSVXOEJDMIAY-CYBMUJFWSA-N 2 0 250.386 2.865 20 0 CFADRP CSc1ccc(OCC[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843355785 631935854 /nfs/dbraw/zinc/93/58/54/631935854.db2.gz XBNCTGPXGFHIOW-UHFFFAOYSA-N 2 0 294.464 2.989 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355874 631936093 /nfs/dbraw/zinc/93/60/93/631936093.db2.gz ZFWOGUVZJVPBRI-LMPOIIKSSA-N 2 0 268.445 2.783 20 0 CFADRP Cc1noc(C)c1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000843357519 631937170 /nfs/dbraw/zinc/93/71/70/631937170.db2.gz PKEQSOSYZUSTTE-UHFFFAOYSA-N 2 0 265.401 2.503 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccc(F)cc1 ZINC000843362355 631938008 /nfs/dbraw/zinc/93/80/08/631938008.db2.gz XWRRIDJVSWXVLK-GOOCMWNKSA-N 2 0 278.371 2.549 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000843386813 631942244 /nfs/dbraw/zinc/94/22/44/631942244.db2.gz MXEHTOWPJBXCKN-CABCVRRESA-N 2 0 293.842 2.947 20 0 CFADRP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000156054708 650041821 /nfs/dbraw/zinc/04/18/21/650041821.db2.gz UJLYMCXYXGBWNA-GVDBMIGSSA-N 2 0 288.435 2.979 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CSc3ccccc32)CC1 ZINC000156269035 650050467 /nfs/dbraw/zinc/05/04/67/650050467.db2.gz DBTRGAKOBRYMMZ-AWEZNQCLSA-N 2 0 262.422 2.765 20 0 CFADRP CC[NH2+]CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000844177269 632131488 /nfs/dbraw/zinc/13/14/88/632131488.db2.gz FJTPZXPHYITMET-UHFFFAOYSA-N 2 0 289.423 2.611 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000814930007 632169637 /nfs/dbraw/zinc/16/96/37/632169637.db2.gz XVBAXDFNLLEPAI-BETUJISGSA-N 2 0 285.391 2.772 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000844901734 632331318 /nfs/dbraw/zinc/33/13/18/632331318.db2.gz JGZKOFYGHAIIKJ-UHFFFAOYSA-N 2 0 280.415 2.966 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000844904048 632332152 /nfs/dbraw/zinc/33/21/52/632332152.db2.gz XQTABDHUYGFSNN-WDEREUQCSA-N 2 0 264.335 2.826 20 0 CFADRP c1[nH+]cn2ccc(-c3noc([C@H]4CC[C@H](C5CC5)[NH2+]4)n3)cc12 ZINC000844915802 632334719 /nfs/dbraw/zinc/33/47/19/632334719.db2.gz AHQLLSDHGRMDQE-ZIAGYGMSSA-N 2 0 295.346 2.587 20 0 CFADRP Cc1ncc(CNCCC[N@@H+](C)CC(C)C)s1 ZINC000845996063 632610021 /nfs/dbraw/zinc/61/00/21/632610021.db2.gz KDFNYRFJZUYLEK-UHFFFAOYSA-N 2 0 255.431 2.519 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000846187805 632657630 /nfs/dbraw/zinc/65/76/30/632657630.db2.gz LIEJIHAGVHBAJL-MPGHIAIKSA-N 2 0 290.451 2.603 20 0 CFADRP [NH3+]CCCCCCN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000846220599 632665457 /nfs/dbraw/zinc/66/54/57/632665457.db2.gz MOJSVTLMTOHPQD-INIZCTEOSA-N 2 0 295.858 2.805 20 0 CFADRP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCCCC[NH3+] ZINC000846222474 632667395 /nfs/dbraw/zinc/66/73/95/632667395.db2.gz DAVBNWZUNDDKNI-AWEZNQCLSA-N 2 0 264.417 2.683 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCSC(F)(F)F ZINC000817890633 632718322 /nfs/dbraw/zinc/71/83/22/632718322.db2.gz VRDQEYMRLNHRDR-JQWIXIFHSA-N 2 0 292.370 2.788 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000817894064 632719506 /nfs/dbraw/zinc/71/95/06/632719506.db2.gz XMZVTXOOXLCUNX-CGTJXYLNSA-N 2 0 290.451 2.929 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817894276 632719693 /nfs/dbraw/zinc/71/96/93/632719693.db2.gz LCYMYBZUQXGNQX-DJIMGWMZSA-N 2 0 290.451 2.735 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1-c1ccccc1 ZINC000817898339 632721535 /nfs/dbraw/zinc/72/15/35/632721535.db2.gz GLKPCGLVAYIIJO-UONOGXRCSA-N 2 0 286.423 2.959 20 0 CFADRP C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000817897186 632722228 /nfs/dbraw/zinc/72/22/28/632722228.db2.gz GTGKSPCANBIUBG-MAUKXSAKSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817900417 632724335 /nfs/dbraw/zinc/72/43/35/632724335.db2.gz SKPOJMPFBKFDGQ-BBWFWOEESA-N 2 0 291.439 2.734 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNc1ccccc1 ZINC000817901049 632724342 /nfs/dbraw/zinc/72/43/42/632724342.db2.gz RVWFIITYUILULR-NVXWUHKLSA-N 2 0 275.440 2.999 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817900927 632724540 /nfs/dbraw/zinc/72/45/40/632724540.db2.gz RGFAUEVYTVCMNJ-FCCDEINASA-N 3 0 293.499 2.904 20 0 CFADRP c1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000817899557 632724674 /nfs/dbraw/zinc/72/46/74/632724674.db2.gz HAQQMPLJCFZAPT-OKZBNKHCSA-N 2 0 287.451 2.999 20 0 CFADRP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000817904618 632727233 /nfs/dbraw/zinc/72/72/33/632727233.db2.gz DWGSAQRDDVAJPK-OMNBBPDLSA-N 2 0 294.414 2.615 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000817905422 632728338 /nfs/dbraw/zinc/72/83/38/632728338.db2.gz MWACCEJJQXDPIA-OGHNNQOOSA-N 2 0 272.392 2.589 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)o1 ZINC000817912621 632730687 /nfs/dbraw/zinc/73/06/87/632730687.db2.gz HQUNIBCBHYTUCH-QKPAOTATSA-N 2 0 292.423 2.522 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000817914915 632731715 /nfs/dbraw/zinc/73/17/15/632731715.db2.gz CHJAXESQWCTTNY-ZNMIVQPWSA-N 2 0 279.453 2.504 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)s1 ZINC000817914918 632731857 /nfs/dbraw/zinc/73/18/57/632731857.db2.gz CJWRCHHRZOSYCU-BZUAXINKSA-N 2 0 293.480 2.894 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCc3ccccc32)c2ccccc21 ZINC000817918087 632733028 /nfs/dbraw/zinc/73/30/28/632733028.db2.gz SPSOTKBYVANOMG-QYZOEREBSA-N 2 0 294.398 2.555 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)CCC2 ZINC000817921515 632734836 /nfs/dbraw/zinc/73/48/36/632734836.db2.gz AFJCOHCLZSBZIZ-SCDSUCTJSA-N 2 0 279.453 2.807 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000817922867 632735485 /nfs/dbraw/zinc/73/54/85/632735485.db2.gz NKUNPWPGBKZSCF-KCXAZCMYSA-N 2 0 296.842 2.655 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000817922826 632735563 /nfs/dbraw/zinc/73/55/63/632735563.db2.gz MSFTUBHCVCQHAD-MAZHCROVSA-N 2 0 296.842 2.655 20 0 CFADRP [NH3+]C1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000817922456 632735942 /nfs/dbraw/zinc/73/59/42/632735942.db2.gz GVUGSDMZOJAAOJ-UHFFFAOYSA-N 2 0 288.435 2.676 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817923074 632736756 /nfs/dbraw/zinc/73/67/56/632736756.db2.gz QYJKXRRNVUHOEI-KCXAZCMYSA-N 2 0 296.842 2.525 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000817923076 632736823 /nfs/dbraw/zinc/73/68/23/632736823.db2.gz QYJKXRRNVUHOEI-WQVCFCJDSA-N 2 0 296.842 2.525 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817927214 632739034 /nfs/dbraw/zinc/73/90/34/632739034.db2.gz ZXORKLGNQRJAMC-IAOVAPTHSA-N 2 0 294.414 2.760 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1(Cl)Cl ZINC000817935681 632739105 /nfs/dbraw/zinc/73/91/05/632739105.db2.gz CRMYOWUBHVLLQK-DCAQKATOSA-N 2 0 265.228 2.677 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)Cc2ccccc2)c2ccccc21 ZINC000817929833 632739939 /nfs/dbraw/zinc/73/99/39/632739939.db2.gz LDHPFUFAFJNQIJ-ATZDWAIDSA-N 2 0 296.414 2.715 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](O)c1ccccc1 ZINC000817932857 632740798 /nfs/dbraw/zinc/74/07/98/632740798.db2.gz XWHCXUBOXYKLPB-BIMQEMHKSA-N 2 0 282.387 2.843 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000817932608 632741307 /nfs/dbraw/zinc/74/13/07/632741307.db2.gz VOKAIUTXZGJUSQ-WRSAYESZSA-N 2 0 299.418 2.621 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946509 632748770 /nfs/dbraw/zinc/74/87/70/632748770.db2.gz YMWQPKWRGRBTCH-KBPBESRZSA-N 2 0 262.397 2.736 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817946095 632748798 /nfs/dbraw/zinc/74/87/98/632748798.db2.gz RJAJQVXSFQTOOH-CZUORRHYSA-N 2 0 274.408 2.662 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000817948215 632749728 /nfs/dbraw/zinc/74/97/28/632749728.db2.gz GGZWWRKKXOWDDE-INIZCTEOSA-N 2 0 270.376 2.948 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000817948957 632750077 /nfs/dbraw/zinc/75/00/77/632750077.db2.gz MVOGVIZHWLXLQV-IRXDYDNUSA-N 2 0 258.409 2.856 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000817950249 632750749 /nfs/dbraw/zinc/75/07/49/632750749.db2.gz XCTQZWHNAGRQNV-ZDUSSCGKSA-N 2 0 274.433 2.970 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cnn1-c1ccccc1 ZINC000817955119 632754459 /nfs/dbraw/zinc/75/44/59/632754459.db2.gz QQEYKKFVKJAGHO-GOEBONIOSA-N 2 0 298.434 2.831 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817955335 632754615 /nfs/dbraw/zinc/75/46/15/632754615.db2.gz VVHBXROLDUYZLQ-BBRMVZONSA-N 2 0 274.408 2.662 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000817954939 632755092 /nfs/dbraw/zinc/75/50/92/632755092.db2.gz NHWQLLXMINBOIY-CHWSQXEVSA-N 2 0 250.361 2.784 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969647 632768707 /nfs/dbraw/zinc/76/87/07/632768707.db2.gz FVJMJXOJRWKOQB-JYJNAYRXSA-N 2 0 274.408 2.932 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970818 632769963 /nfs/dbraw/zinc/76/99/63/632769963.db2.gz FNOWRZBKEVMSRN-IPYPFGDCSA-N 2 0 262.397 2.876 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCc3cc(C)ccc32)CC[NH2+]CC1 ZINC000817971830 632771023 /nfs/dbraw/zinc/77/10/23/632771023.db2.gz HMBDNBAHNKQGEW-QGZVFWFLSA-N 2 0 288.435 2.588 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccnc1Cl ZINC000817976115 632774452 /nfs/dbraw/zinc/77/44/52/632774452.db2.gz GKSQIEULONHAJW-CMPLNLGQSA-N 2 0 265.788 2.528 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000817976105 632774644 /nfs/dbraw/zinc/77/46/44/632774644.db2.gz GGXCJIMTLPBIFC-BBRMVZONSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976871 632775162 /nfs/dbraw/zinc/77/51/62/632775162.db2.gz VZODBFLTPXMAGM-NEPJUHHUSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cccnc1Cl ZINC000817980046 632776796 /nfs/dbraw/zinc/77/67/96/632776796.db2.gz ILDVLWPBFCWTJS-VXGBXAGGSA-N 2 0 267.804 2.918 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cccnc1Cl ZINC000817980045 632777004 /nfs/dbraw/zinc/77/70/04/632777004.db2.gz ILDVLWPBFCWTJS-RYUDHWBXSA-N 2 0 267.804 2.918 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817981331 632777928 /nfs/dbraw/zinc/77/79/28/632777928.db2.gz RBNMAEYBPCYYJB-CJNGLKHVSA-N 2 0 274.408 2.804 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccnc1Cl ZINC000817986847 632781766 /nfs/dbraw/zinc/78/17/66/632781766.db2.gz USANZEPWDVXTFR-UMSGYPCISA-N 2 0 279.815 2.774 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000817986933 632782086 /nfs/dbraw/zinc/78/20/86/632782086.db2.gz WAULEOLDNLMXGW-OAHLLOKOSA-N 2 0 296.418 2.833 20 0 CFADRP C[N@@H+](Cc1cnc(Cl)c(F)c1)CC1CC[NH+](C)CC1 ZINC000846805049 632801440 /nfs/dbraw/zinc/80/14/40/632801440.db2.gz TUXJMDVTXFWMJL-UHFFFAOYSA-N 2 0 285.794 2.648 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCc1cccs1)CC[NH2+]CC2 ZINC000818340414 632832531 /nfs/dbraw/zinc/83/25/31/632832531.db2.gz MEPQBJRSCHZAHY-ZDUSSCGKSA-N 2 0 264.438 2.755 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000818968680 632917415 /nfs/dbraw/zinc/91/74/15/632917415.db2.gz FCPZXOYOEIIXBL-MAUKXSAKSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000818971132 632918786 /nfs/dbraw/zinc/91/87/86/632918786.db2.gz YGXBOCCCJUKPDJ-WMZOPIPTSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000818988633 632923923 /nfs/dbraw/zinc/92/39/23/632923923.db2.gz CPEHTDWQBUPCED-GOSISDBHSA-N 2 0 290.451 2.658 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000819042601 632939448 /nfs/dbraw/zinc/93/94/48/632939448.db2.gz KBEMKHSSQSKHDG-GOSISDBHSA-N 2 0 290.451 2.883 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C)CC1 ZINC000819043696 632939678 /nfs/dbraw/zinc/93/96/78/632939678.db2.gz UIEQVUZUGFPZFH-SFHVURJKSA-N 2 0 290.451 2.883 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C)cc2)CC1 ZINC000819042603 632940501 /nfs/dbraw/zinc/94/05/01/632940501.db2.gz KBEMKHSSQSKHDG-SFHVURJKSA-N 2 0 290.451 2.883 20 0 CFADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000819101537 632964921 /nfs/dbraw/zinc/96/49/21/632964921.db2.gz ANEFDVFBWFEFEE-BBRMVZONSA-N 2 0 296.430 2.733 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc3ccccc32)CC[N@@H+]1C ZINC000819105472 632966894 /nfs/dbraw/zinc/96/68/94/632966894.db2.gz MQVGDUAWBSOLPU-OGWOLHLISA-N 2 0 298.430 2.946 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819135027 632980548 /nfs/dbraw/zinc/98/05/48/632980548.db2.gz SASZHDKDAHCDFN-BZUAXINKSA-N 2 0 296.842 2.836 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000819220746 633023493 /nfs/dbraw/zinc/02/34/93/633023493.db2.gz REFADXZSXWETRE-CRAIPNDOSA-N 2 0 288.435 2.577 20 0 CFADRP C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000819219469 633023906 /nfs/dbraw/zinc/02/39/06/633023906.db2.gz FEKSKKWNTJJHET-LRDDRELGSA-N 2 0 294.826 2.613 20 0 CFADRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CCCC1 ZINC000819228238 633028791 /nfs/dbraw/zinc/02/87/91/633028791.db2.gz RJEHKIWGEGGFBA-INIZCTEOSA-N 2 0 294.414 2.571 20 0 CFADRP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848559716 633289490 /nfs/dbraw/zinc/28/94/90/633289490.db2.gz YBHDXTNNIUIXSR-WCFLWFBJSA-N 2 0 265.401 2.536 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848561874 633289842 /nfs/dbraw/zinc/28/98/42/633289842.db2.gz DBKVBGDAWDTSGR-VDISTLRHSA-N 2 0 282.815 2.778 20 0 CFADRP COc1c(C)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1C ZINC000848563597 633290261 /nfs/dbraw/zinc/29/02/61/633290261.db2.gz VMYUZFAHZXVFHS-IYBDPMFKSA-N 2 0 276.424 2.742 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000848563627 633290530 /nfs/dbraw/zinc/29/05/30/633290530.db2.gz VWVIUJGKDSIOKX-JGZJWPJOSA-N 2 0 258.818 2.831 20 0 CFADRP C[C@@H]([NH2+]Cc1noc2ccccc21)C1CC[NH+](C)CC1 ZINC000848573099 633293199 /nfs/dbraw/zinc/29/31/99/633293199.db2.gz PTSGAXBFIBCSET-GFCCVEGCSA-N 2 0 273.380 2.648 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000848574579 633293906 /nfs/dbraw/zinc/29/39/06/633293906.db2.gz FXABCDFEMQACDK-VQHPVUNQSA-N 2 0 280.456 2.798 20 0 CFADRP c1[nH]nc2cc(C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)ccc12 ZINC000848574819 633294021 /nfs/dbraw/zinc/29/40/21/633294021.db2.gz IYDJLFFXRGMFEJ-WBVHZDCISA-N 2 0 284.407 2.669 20 0 CFADRP COc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)c21 ZINC000848722405 633325254 /nfs/dbraw/zinc/32/52/54/633325254.db2.gz MQRHXBGIPJHAOH-KBPBESRZSA-N 2 0 287.407 2.579 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000848984060 633416433 /nfs/dbraw/zinc/41/64/33/633416433.db2.gz JDKFAVSIHZVMRN-UONOGXRCSA-N 2 0 270.465 2.655 20 0 CFADRP COc1ccc(NC(=[NH2+])NCCCC[NH+](C)C)cc1Cl ZINC000848990122 633419311 /nfs/dbraw/zinc/41/93/11/633419311.db2.gz ZQSRNUBLIMQUMA-UHFFFAOYSA-N 2 0 298.818 2.627 20 0 CFADRP CC[NH+]1CCC(CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000848996111 633450970 /nfs/dbraw/zinc/45/09/70/633450970.db2.gz GZKFRRBYFMURTL-UHFFFAOYSA-N 2 0 280.460 2.555 20 0 CFADRP CC[N@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)C(C)C ZINC000849000945 633454462 /nfs/dbraw/zinc/45/44/62/633454462.db2.gz HYHXZBNVSALSBV-UHFFFAOYSA-N 2 0 284.354 2.631 20 0 CFADRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000849008872 633458375 /nfs/dbraw/zinc/45/83/75/633458375.db2.gz GQBXDSKZQQOKKA-HOCLYGCPSA-N 2 0 288.439 2.563 20 0 CFADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849041088 633476737 /nfs/dbraw/zinc/47/67/37/633476737.db2.gz JZEJFEWWFQKPEP-NSHDSACASA-N 2 0 296.365 2.633 20 0 CFADRP COc1cncc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000850029921 633795737 /nfs/dbraw/zinc/79/57/37/633795737.db2.gz DNWQCHCIYZVNCP-OAHLLOKOSA-N 2 0 291.439 2.834 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1cnc(C)n1C)CCC2 ZINC000850239328 633907188 /nfs/dbraw/zinc/90/71/88/633907188.db2.gz HFDVIIBBFSITSN-GFCCVEGCSA-N 2 0 276.409 2.661 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000850419120 633983929 /nfs/dbraw/zinc/98/39/29/633983929.db2.gz BPSDVGXMOWCSLF-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc2c(c1)CCCO2 ZINC000850421722 633985725 /nfs/dbraw/zinc/98/57/25/633985725.db2.gz XTXXAIPAWZKADH-CYBMUJFWSA-N 2 0 262.397 2.614 20 0 CFADRP C(C1CCCC1)[NH+]1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000850429689 633989790 /nfs/dbraw/zinc/98/97/90/633989790.db2.gz FKXCLBFZWGONLT-QGZVFWFLSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850440035 633993303 /nfs/dbraw/zinc/99/33/03/633993303.db2.gz RQMSUSJEGWQHOK-UPJWGTAASA-N 2 0 262.438 2.540 20 0 CFADRP C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000850506460 634022983 /nfs/dbraw/zinc/02/29/83/634022983.db2.gz BMMPRYCJRLHABS-GOEBONIOSA-N 2 0 274.408 2.996 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)[C@H]2CCC[C@@H]21 ZINC000850524931 634033473 /nfs/dbraw/zinc/03/34/73/634033473.db2.gz FLXJZTVLDIFMDQ-WKULXVSPSA-N 2 0 286.419 2.627 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCC2SCCS2)CC1 ZINC000853022971 634879872 /nfs/dbraw/zinc/87/98/72/634879872.db2.gz JFEDCRQMPFHXOU-UHFFFAOYSA-N 2 0 274.499 2.504 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)CCCO2 ZINC000853250078 634951285 /nfs/dbraw/zinc/95/12/85/634951285.db2.gz ZSSLNZAVFCVDKF-JQRITLKVSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221148 635261513 /nfs/dbraw/zinc/26/15/13/635261513.db2.gz HFBYJYGDJXJAKH-OGHNNQOOSA-N 2 0 272.392 2.589 20 0 CFADRP CCCCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)C(C)(C)C ZINC000854232437 635268315 /nfs/dbraw/zinc/26/83/15/635268315.db2.gz PYPCOSSICLVYOZ-ZDUSSCGKSA-N 2 0 294.443 2.726 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925490729 635846248 /nfs/dbraw/zinc/84/62/48/635846248.db2.gz CEFQXMNPKSJFSV-BZUAXINKSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857846226 636030906 /nfs/dbraw/zinc/03/09/06/636030906.db2.gz ADCUAZANZCQSQK-GOEBONIOSA-N 2 0 290.455 2.889 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000858246077 636162740 /nfs/dbraw/zinc/16/27/40/636162740.db2.gz TYGXARKTJKCHSB-MRXNPFEDSA-N 2 0 290.451 2.736 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CCO1 ZINC000858245452 636162981 /nfs/dbraw/zinc/16/29/81/636162981.db2.gz INQXEDAQTGFRIE-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc[nH+]c(CO)c2)C1 ZINC000858352321 636203900 /nfs/dbraw/zinc/20/39/00/636203900.db2.gz YQTVUDOOBCUTDC-GASCZTMLSA-N 2 0 291.439 2.744 20 0 CFADRP OCc1cc(NC2CCC([NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000858439296 636241472 /nfs/dbraw/zinc/24/14/72/636241472.db2.gz MANLJFHAEZNOAF-UHFFFAOYSA-N 2 0 289.423 2.783 20 0 CFADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]CC(C)C)CC1 ZINC000048068608 650254133 /nfs/dbraw/zinc/25/41/33/650254133.db2.gz FVWYEIGUSCIJJF-UHFFFAOYSA-N 2 0 289.467 2.570 20 0 CFADRP CO[C@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000859212085 636505531 /nfs/dbraw/zinc/50/55/31/636505531.db2.gz DPDYDJYGSVQJLO-QGZVFWFLSA-N 2 0 276.424 2.605 20 0 CFADRP CO[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000859211810 636505746 /nfs/dbraw/zinc/50/57/46/636505746.db2.gz AKKXFHPODFQLHE-IAGOWNOFSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)O1 ZINC000859213001 636506796 /nfs/dbraw/zinc/50/67/96/636506796.db2.gz QCIIPMGHJNBHPD-WMLDXEAASA-N 2 0 276.424 2.748 20 0 CFADRP C1=CO[C@@H](C[NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000194385536 636775626 /nfs/dbraw/zinc/77/56/26/636775626.db2.gz MLUVLTJMAAWLFM-MRXNPFEDSA-N 2 0 266.429 2.925 20 0 CFADRP Cc1ncc(C[NH2+]CCCCCCC[NH+](C)C)o1 ZINC000862274604 637306868 /nfs/dbraw/zinc/30/68/68/637306868.db2.gz CDHBJOQMFMFMOA-UHFFFAOYSA-N 2 0 253.390 2.585 20 0 CFADRP Cc1c(F)nccc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000862278714 637309253 /nfs/dbraw/zinc/30/92/53/637309253.db2.gz HJVPRISLDFFJKF-CQSZACIVSA-N 2 0 281.419 2.985 20 0 CFADRP Cc1c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccnc1F ZINC000862367505 637339505 /nfs/dbraw/zinc/33/95/05/637339505.db2.gz KXPVECHAKTWNSK-MRXNPFEDSA-N 2 0 291.414 2.693 20 0 CFADRP C[NH+](C)Cc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000863692327 637747883 /nfs/dbraw/zinc/74/78/83/637747883.db2.gz VPHFBJRIAFVFFG-UHFFFAOYSA-N 2 0 284.407 2.536 20 0 CFADRP C[NH+](C)[C@H]1C[C@H](Nc2cc[nH+]cc2C(F)(F)F)C12CCC2 ZINC000864090281 637870466 /nfs/dbraw/zinc/87/04/66/637870466.db2.gz DVHGYGYPJYGDAZ-STQMWFEESA-N 2 0 299.340 2.807 20 0 CFADRP CCC(CC)NC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000864463130 637991363 /nfs/dbraw/zinc/99/13/63/637991363.db2.gz SNKZRHMOTLUNAV-CYBMUJFWSA-N 2 0 268.449 2.553 20 0 CFADRP CCC(CC)NC(=[NH2+])NCCCCC[NH+]1CCCC1 ZINC000864467187 637993164 /nfs/dbraw/zinc/99/31/64/637993164.db2.gz QRNDZKVFNMLLGE-UHFFFAOYSA-N 2 0 268.449 2.555 20 0 CFADRP C[C@@H]1C[C@H](Nc2ccncc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000865600925 638450649 /nfs/dbraw/zinc/45/06/49/638450649.db2.gz VJDRTRVPVSWDDQ-ZJUUUORDSA-N 2 0 285.313 2.559 20 0 CFADRP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000865696623 638520161 /nfs/dbraw/zinc/52/01/61/638520161.db2.gz HVUPHJPHXWQQOO-CABCVRRESA-N 2 0 274.343 2.638 20 0 CFADRP Cc1ccc(O)c(C[NH2+]CCC2CC[NH+](C(C)C)CC2)n1 ZINC000865716924 638531473 /nfs/dbraw/zinc/53/14/73/638531473.db2.gz IIQZRMZWZJINIZ-UHFFFAOYSA-N 2 0 291.439 2.696 20 0 CFADRP C=Cn1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cn1 ZINC000865717043 638532790 /nfs/dbraw/zinc/53/27/90/638532790.db2.gz MCFXJBKZXZZMMU-UHFFFAOYSA-N 2 0 276.428 2.584 20 0 CFADRP CCN(CCC[NH+](C)C)c1cc[nH+]cc1C(F)(F)F ZINC000865720119 638534157 /nfs/dbraw/zinc/53/41/57/638534157.db2.gz XCHBWVZQDBGLDT-UHFFFAOYSA-N 2 0 275.318 2.878 20 0 CFADRP CCOc1cccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)n1 ZINC000865764972 638562515 /nfs/dbraw/zinc/56/25/15/638562515.db2.gz GQGPWCMDOLLXPU-UHFFFAOYSA-N 2 0 291.439 2.833 20 0 CFADRP CCn1nc(C)c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1C ZINC000865765728 638562624 /nfs/dbraw/zinc/56/26/24/638562624.db2.gz JREZVWIUFRHIQC-UHFFFAOYSA-N 2 0 292.471 2.872 20 0 CFADRP C1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)([C@H]2CCCCO2)C1 ZINC000865856151 638616733 /nfs/dbraw/zinc/61/67/33/638616733.db2.gz GFUDUJZRLZOVDU-BZUAXINKSA-N 2 0 278.440 2.695 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(c3ccnc4ccsc43)CC[C@H]21 ZINC000866207554 638770417 /nfs/dbraw/zinc/77/04/17/638770417.db2.gz XIPFZRQKCJSCHL-WCQYABFASA-N 2 0 273.405 2.827 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866213392 638771804 /nfs/dbraw/zinc/77/18/04/638771804.db2.gz QHQUPMAENKICOO-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000866262907 638783517 /nfs/dbraw/zinc/78/35/17/638783517.db2.gz IKTSYKKFLDKHRL-DOTOQJQBSA-N 2 0 260.425 2.857 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1c2ccccc2OC[C@@H]1F)C1CC1 ZINC000866369924 638807134 /nfs/dbraw/zinc/80/71/34/638807134.db2.gz PDWSQESCGBQMCB-RDJZCZTQSA-N 2 0 292.398 2.922 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)CCn2cccn2)CC1 ZINC000866467230 638826066 /nfs/dbraw/zinc/82/60/66/638826066.db2.gz ANHGGSMURFNBTI-MRXNPFEDSA-N 2 0 292.471 2.762 20 0 CFADRP CC[NH+]1CCC([NH2+]CCC2CC[NH+](C(C)C)CC2)CC1 ZINC000866467343 638826204 /nfs/dbraw/zinc/82/62/04/638826204.db2.gz FCVQBLRVFLHCSY-UHFFFAOYSA-N 3 0 281.488 2.571 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467370 638826334 /nfs/dbraw/zinc/82/63/34/638826334.db2.gz GCDHZTKCGKFCSR-ZDUSSCGKSA-N 2 0 278.444 2.879 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000866467864 638826347 /nfs/dbraw/zinc/82/63/47/638826347.db2.gz SGGPADOLFSDSQW-GOEBONIOSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCSC2)CC1 ZINC000866467838 638826358 /nfs/dbraw/zinc/82/63/58/638826358.db2.gz RRHCQYVXNLPQEJ-CQSZACIVSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467369 638826363 /nfs/dbraw/zinc/82/63/63/638826363.db2.gz GCDHZTKCGKFCSR-CYBMUJFWSA-N 2 0 278.444 2.879 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000866516583 638834454 /nfs/dbraw/zinc/83/44/54/638834454.db2.gz CVAQHTGLBKEJJC-ONWVLEABSA-N 3 0 293.499 2.712 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)[C@H](C)C1 ZINC000866527681 638835695 /nfs/dbraw/zinc/83/56/95/638835695.db2.gz MHGTZZVPISMYGM-PMPSAXMXSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2c3ccccc3CN2C)CC1 ZINC000866561718 638844686 /nfs/dbraw/zinc/84/46/86/638844686.db2.gz KBPWXMKUMJBMAW-SFHVURJKSA-N 2 0 287.451 2.636 20 0 CFADRP C[C@H]([NH2+]Cc1noc2cc(F)ccc12)C1CC[NH+](C)CC1 ZINC000866608118 638853516 /nfs/dbraw/zinc/85/35/16/638853516.db2.gz BHFZDUBGKIREKU-NSHDSACASA-N 2 0 291.370 2.787 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nc1Cl ZINC000866665656 638862845 /nfs/dbraw/zinc/86/28/45/638862845.db2.gz ZCIIUXFBTLBADU-LBPRGKRZSA-N 2 0 267.804 2.604 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)nc1Cl ZINC000866667805 638863554 /nfs/dbraw/zinc/86/35/54/638863554.db2.gz ZAPWHYNRRLUJMO-UHFFFAOYSA-N 2 0 267.804 2.604 20 0 CFADRP Cc1ncc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000866705500 638868398 /nfs/dbraw/zinc/86/83/98/638868398.db2.gz AYVXSNUDIVWWHQ-AWEZNQCLSA-N 2 0 267.442 2.648 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000866709596 638869530 /nfs/dbraw/zinc/86/95/30/638869530.db2.gz SISCRBMFAZKHKQ-QGZVFWFLSA-N 2 0 294.414 2.515 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)C1CCCC1 ZINC000866709516 638869541 /nfs/dbraw/zinc/86/95/41/638869541.db2.gz RRGWJGCZMMFTTH-NVXWUHKLSA-N 2 0 282.472 2.889 20 0 CFADRP CC(C)C[N@H+](CCCCCC[NH3+])CC1CC[NH+](C)CC1 ZINC000866717655 638870034 /nfs/dbraw/zinc/87/00/34/638870034.db2.gz LJZQHSZWSAUNBZ-UHFFFAOYSA-N 3 0 283.504 2.805 20 0 CFADRP Cc1cncc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)c1 ZINC000866719672 638870041 /nfs/dbraw/zinc/87/00/41/638870041.db2.gz BFSRWPDDFVTROW-KRWDZBQOSA-N 2 0 273.424 2.917 20 0 CFADRP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)OC1CCCCCC1 ZINC000866715702 638870226 /nfs/dbraw/zinc/87/02/26/638870226.db2.gz FCVBMYAVPVHBBR-RDJZCZTQSA-N 2 0 280.456 2.800 20 0 CFADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)c1cccc(C[NH3+])c1 ZINC000867986865 638911208 /nfs/dbraw/zinc/91/12/08/638911208.db2.gz FVOYTLCPFCPBPD-INIZCTEOSA-N 2 0 295.386 2.584 20 0 CFADRP CC(C)C[C@H](C)ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784563 641454691 /nfs/dbraw/zinc/45/46/91/641454691.db2.gz HLVPWFWTZNMRCJ-FUDCBSFHSA-N 2 0 267.417 2.792 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871800602 641464172 /nfs/dbraw/zinc/46/41/72/641464172.db2.gz PONOLYPHVNDMEU-KQMXJJGSSA-N 2 0 298.390 2.754 20 0 CFADRP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+](C)C ZINC000872017281 641547988 /nfs/dbraw/zinc/54/79/88/641547988.db2.gz YHKINCFYARCNNH-QGZVFWFLSA-N 2 0 296.430 2.703 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872022331 641553420 /nfs/dbraw/zinc/55/34/20/641553420.db2.gz XJSRNTZRGDCGPY-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C(C)(C)CC ZINC000872023355 641553524 /nfs/dbraw/zinc/55/35/24/641553524.db2.gz REAYFNNOWUAOII-MRXNPFEDSA-N 2 0 283.504 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872022330 641553765 /nfs/dbraw/zinc/55/37/65/641553765.db2.gz XJSRNTZRGDCGPY-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(O)c1F ZINC000872029482 641558901 /nfs/dbraw/zinc/55/89/01/641558901.db2.gz QLZDDKFZRPMGPW-NSHDSACASA-N 2 0 254.349 2.524 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C(C)(C)CC ZINC000872032202 641563788 /nfs/dbraw/zinc/56/37/88/641563788.db2.gz QDXGEDRDKKUVRL-HOTGVXAUSA-N 2 0 283.504 2.674 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)[C@H]1CCCOC1 ZINC000872067504 641598917 /nfs/dbraw/zinc/59/89/17/641598917.db2.gz QXPFSXOGSVXWBQ-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000872069698 641600684 /nfs/dbraw/zinc/60/06/84/641600684.db2.gz SQUBHTDPOAIMFV-RDHHWEPZSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCC1 ZINC000872115165 641645502 /nfs/dbraw/zinc/64/55/02/641645502.db2.gz IGNOFEZHJFVBSQ-BZUAXINKSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)OC1(C[NH2+]C2CC[NH+](C(C)C)CC2)CCC1 ZINC000872117748 641648150 /nfs/dbraw/zinc/64/81/50/641648150.db2.gz UYTOIVDVOVUIEG-UHFFFAOYSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000872132285 641659981 /nfs/dbraw/zinc/65/99/81/641659981.db2.gz GHHPCLMXSFSEET-RWBZWWBESA-N 2 0 287.451 2.949 20 0 CFADRP C([C@@H]1C[C@H]2CCC[C@@H]2O1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143364 641670200 /nfs/dbraw/zinc/67/02/00/641670200.db2.gz PZQMQGQKDGVWLU-DZVNLGKHSA-N 2 0 292.467 2.656 20 0 CFADRP C([C@@H]1CC2(CCC2)CO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000872143674 641670643 /nfs/dbraw/zinc/67/06/43/641670643.db2.gz VXRWDNJIXSMZJW-ZACQAIPSSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC[C@H]1CCc3ccccc31)C2 ZINC000872153416 641674158 /nfs/dbraw/zinc/67/41/58/641674158.db2.gz BEOZYTSQRABJDC-SOLBZPMBSA-N 2 0 270.420 2.648 20 0 CFADRP [NH3+]CCCCCCCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000872154511 641675915 /nfs/dbraw/zinc/67/59/15/641675915.db2.gz RUMKRTZTKCOWSK-OAHLLOKOSA-N 2 0 275.440 2.848 20 0 CFADRP Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155644 641675924 /nfs/dbraw/zinc/67/59/24/641675924.db2.gz XIMUVPLDBGTYJH-HNNXBMFYSA-N 2 0 291.439 2.773 20 0 CFADRP C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155012 641676336 /nfs/dbraw/zinc/67/63/36/641676336.db2.gz JPXYQPUMDWCVIW-HNNXBMFYSA-N 2 0 297.487 2.522 20 0 CFADRP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158423 641678928 /nfs/dbraw/zinc/67/89/28/641678928.db2.gz VADLYUSDTVBOFR-DZKIICNBSA-N 2 0 296.455 2.558 20 0 CFADRP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2ccon2)C1)C1CCCC1 ZINC000872158479 641679803 /nfs/dbraw/zinc/67/98/03/641679803.db2.gz VMRRGAFABZYLBO-CZUORRHYSA-N 2 0 277.412 2.794 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000872229176 641710028 /nfs/dbraw/zinc/71/00/28/641710028.db2.gz OETXWNHFNUUESA-LXPRWKDFSA-N 2 0 290.451 2.881 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254323 641719139 /nfs/dbraw/zinc/71/91/39/641719139.db2.gz ZMVNTBUPWVIBEP-ZJUUUORDSA-N 2 0 252.324 2.695 20 0 CFADRP c1cc(NC2CC([NH+]3CCCCC3)C2)c(C2CC2)c[nH+]1 ZINC000872533463 641846285 /nfs/dbraw/zinc/84/62/85/641846285.db2.gz QHHXZPYIPDKDHB-UHFFFAOYSA-N 2 0 271.408 2.810 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C1CC[NH2+]CC1 ZINC000873220306 642073735 /nfs/dbraw/zinc/07/37/35/642073735.db2.gz JBVGJDYVFJELBI-CYBMUJFWSA-N 2 0 284.407 2.554 20 0 CFADRP Cc1cc(F)ccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221483 642073879 /nfs/dbraw/zinc/07/38/79/642073879.db2.gz SUWAHLIWGFGOBQ-GFCCVEGCSA-N 2 0 250.361 2.612 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873221486 642074205 /nfs/dbraw/zinc/07/42/05/642074205.db2.gz SZMPQGXCXAUPCL-HUUCEWRRSA-N 2 0 290.451 2.994 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000873222913 642076652 /nfs/dbraw/zinc/07/66/52/642076652.db2.gz DPYISRMFOQDNGD-GOSISDBHSA-N 2 0 287.451 2.852 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cccs2)C1 ZINC000873223372 642076815 /nfs/dbraw/zinc/07/68/15/642076815.db2.gz KWXHBLSHYPDXJZ-AWEZNQCLSA-N 2 0 252.427 2.945 20 0 CFADRP COCCC1([NH2+]Cc2ccccc2C2CC2)CC[NH2+]CC1 ZINC000873224379 642077789 /nfs/dbraw/zinc/07/77/89/642077789.db2.gz DMLNFHMXOYCQKV-UHFFFAOYSA-N 2 0 288.435 2.812 20 0 CFADRP COCCC1([NH2+]CC[C@H](C)c2ccccc2)CC[NH2+]CC1 ZINC000873224861 642078568 /nfs/dbraw/zinc/07/85/68/642078568.db2.gz INEOMUNFNVKNIL-INIZCTEOSA-N 2 0 290.451 2.929 20 0 CFADRP Cc1ccc2ncc(C[N@H+](C)CCCCCC[NH3+])n2c1 ZINC000873231613 642084872 /nfs/dbraw/zinc/08/48/72/642084872.db2.gz SISZSUQEVIYFEZ-UHFFFAOYSA-N 2 0 274.412 2.594 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cnc(C2CC2)s1 ZINC000873231570 642084960 /nfs/dbraw/zinc/08/49/60/642084960.db2.gz OYNHKELCVURFEF-UHFFFAOYSA-N 2 0 267.442 2.971 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873232201 642084999 /nfs/dbraw/zinc/08/49/99/642084999.db2.gz MXSKHLVAOOWQRJ-HLLBOEOZSA-N 2 0 282.472 2.889 20 0 CFADRP [NH3+][C@H](C[C@H]1CCCN(Cc2csnn2)C1)C1CCCC1 ZINC000873232669 642086287 /nfs/dbraw/zinc/08/62/87/642086287.db2.gz VNFAFTFQCTVNJM-IUODEOHRSA-N 2 0 294.468 2.658 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000873235179 642088299 /nfs/dbraw/zinc/08/82/99/642088299.db2.gz LFJSFLYIWVRRMM-OAHLLOKOSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000873235283 642088702 /nfs/dbraw/zinc/08/87/02/642088702.db2.gz KQTAEKHPSCSNBP-DOTOQJQBSA-N 2 0 258.409 2.857 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873239352 642090050 /nfs/dbraw/zinc/09/00/50/642090050.db2.gz UHGLYDHCIKXIQZ-BYCMXARLSA-N 2 0 265.376 2.780 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000873243750 642092149 /nfs/dbraw/zinc/09/21/49/642092149.db2.gz MSBUZXXOIVJUEE-FZMZJTMJSA-N 2 0 279.453 2.785 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000873242173 642092448 /nfs/dbraw/zinc/09/24/48/642092448.db2.gz MNDOIBSRIKMOMD-IRXDYDNUSA-N 3 0 281.488 2.604 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000873248139 642094977 /nfs/dbraw/zinc/09/49/77/642094977.db2.gz AEORLUZEZJTNNS-KJFXSAIASA-N 3 0 287.451 2.984 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)c2ccccc21 ZINC000873249490 642095734 /nfs/dbraw/zinc/09/57/34/642095734.db2.gz BBTSCNIEAGVARY-XKQJLSEDSA-N 2 0 286.419 2.928 20 0 CFADRP Cc1cc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2cccnc2)ccc1F ZINC000873252413 642097929 /nfs/dbraw/zinc/09/79/29/642097929.db2.gz RJJLMYHJVZXBLT-RPVQJOFSSA-N 2 0 299.393 2.945 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252722 642098639 /nfs/dbraw/zinc/09/86/39/642098639.db2.gz QRHOIJRBFRLKEO-OWLYRPNTSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873252840 642098817 /nfs/dbraw/zinc/09/88/17/642098817.db2.gz WJDIBHGDGNUXDE-VNQPRFMTSA-N 2 0 264.388 2.720 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000873252836 642099312 /nfs/dbraw/zinc/09/93/12/642099312.db2.gz WHIVXGMELQEQJK-NVBFEUDRSA-N 2 0 268.351 2.989 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1OC(F)(F)F ZINC000873254016 642100273 /nfs/dbraw/zinc/10/02/73/642100273.db2.gz JDMGFBUHPKVRLV-GARJFASQSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873253707 642100315 /nfs/dbraw/zinc/10/03/15/642100315.db2.gz CSLQSNNOZFFYDR-YMEQNVIZSA-N 2 0 262.372 2.776 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000873255010 642100912 /nfs/dbraw/zinc/10/09/12/642100912.db2.gz CSZJQGSUKJEQAG-SUZMYJTESA-N 2 0 266.385 2.690 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1OC(F)F ZINC000873255420 642100926 /nfs/dbraw/zinc/10/09/26/642100926.db2.gz GJHUWWILDLARSH-FXPVBKGRSA-N 2 0 288.313 2.815 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc2ccccc2n1 ZINC000873255082 642101137 /nfs/dbraw/zinc/10/11/37/642101137.db2.gz COIJMDBAUWLYOJ-YRGRVCCFSA-N 2 0 255.365 2.623 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873255554 642101892 /nfs/dbraw/zinc/10/18/92/642101892.db2.gz HNNATLHIDHRGOY-WBIUFABUSA-N 2 0 268.351 2.989 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000873257011 642102715 /nfs/dbraw/zinc/10/27/15/642102715.db2.gz CSZJQGSUKJEQAG-GAFUQQFSSA-N 2 0 266.385 2.690 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000873256641 642102727 /nfs/dbraw/zinc/10/27/27/642102727.db2.gz BRIAXSFMBAPYIH-GMTAPVOTSA-N 2 0 270.323 2.676 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259714 642104030 /nfs/dbraw/zinc/10/40/30/642104030.db2.gz KDTNPKQRABJTJQ-LKQDWFRTSA-N 2 0 274.383 2.933 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000873263090 642106025 /nfs/dbraw/zinc/10/60/25/642106025.db2.gz FYTRINMTFKIBPG-FWXGHANASA-N 2 0 250.430 2.931 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC000873261907 642106149 /nfs/dbraw/zinc/10/61/49/642106149.db2.gz SXLPLLJDYYMATR-RJZRQDKASA-N 2 0 290.407 2.582 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262264 642106262 /nfs/dbraw/zinc/10/62/62/642106262.db2.gz WPRQKIYKCTZHNP-NRSFXHEJSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)C1CC[NH2+]CC1 ZINC000873266340 642109439 /nfs/dbraw/zinc/10/94/39/642109439.db2.gz VZYBRMGGNNUIIS-OLZOCXBDSA-N 2 0 274.408 2.660 20 0 CFADRP CCC1(CC)[C@@H]([NH2+][C@H](C)C2CC[NH2+]CC2)C[C@@H]1OC ZINC000873268295 642110989 /nfs/dbraw/zinc/11/09/89/642110989.db2.gz UKCATONWJNEHMP-SNPRPXQTSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C1CC[NH2+]CC1 ZINC000873268271 642110992 /nfs/dbraw/zinc/11/09/92/642110992.db2.gz BKSOLJFBCFMIRE-WBMJQRKESA-N 2 0 274.408 2.747 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000873268059 642111070 /nfs/dbraw/zinc/11/10/70/642111070.db2.gz QEDJGBFMVTUKIR-HUUCEWRRSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@H]([NH2+][C@H](c1cncc(F)c1)C1CC1)C1CC[NH2+]CC1 ZINC000873270736 642112877 /nfs/dbraw/zinc/11/28/77/642112877.db2.gz BDTBFUXPCFPMGQ-ZBEGNZNMSA-N 2 0 277.387 2.650 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C1CC[NH2+]CC1 ZINC000873272399 642113375 /nfs/dbraw/zinc/11/33/75/642113375.db2.gz RREHLMZOHBUUMD-YVEFUNNKSA-N 2 0 274.408 2.747 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000873281910 642116610 /nfs/dbraw/zinc/11/66/10/642116610.db2.gz CQIYWIQMVKQAHU-GFCCVEGCSA-N 2 0 290.436 2.812 20 0 CFADRP C([NH2+][C@@H]1CCCC12CCCC2)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290877 642122984 /nfs/dbraw/zinc/12/29/84/642122984.db2.gz BKXWPRXYYMMTPF-JKSUJKDBSA-N 2 0 292.467 2.848 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000873290669 642123120 /nfs/dbraw/zinc/12/31/20/642123120.db2.gz FPISVDGEZAMDCW-PMPSAXMXSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C)C1 ZINC000873293416 642124625 /nfs/dbraw/zinc/12/46/25/642124625.db2.gz MBYVHDVLUOHDEF-UGUYLWEFSA-N 2 0 280.456 2.559 20 0 CFADRP C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294042 642124788 /nfs/dbraw/zinc/12/47/88/642124788.db2.gz SEJLZCMVVFJJQT-GVDBMIGSSA-N 2 0 292.467 2.704 20 0 CFADRP CC(C)CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873293834 642125065 /nfs/dbraw/zinc/12/50/65/642125065.db2.gz PVYQMBUUXUMFPV-IAGOWNOFSA-N 2 0 294.483 2.950 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)o1 ZINC000873293105 642125124 /nfs/dbraw/zinc/12/51/24/642125124.db2.gz XYVUFRDVUBELCG-HIFRSBDPSA-N 2 0 292.423 2.651 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294387 642125371 /nfs/dbraw/zinc/12/53/71/642125371.db2.gz RNJNADDZVNYCGL-KBPBESRZSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H](O)c1ccc(F)cc1 ZINC000124551700 642220939 /nfs/dbraw/zinc/22/09/39/642220939.db2.gz GCBGVTGTJGIBEM-AHIWAGSCSA-N 2 0 294.414 2.568 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCc2cccs2)CC1 ZINC000019948529 642235880 /nfs/dbraw/zinc/23/58/80/642235880.db2.gz PNMDICRZJHINCG-UHFFFAOYSA-N 2 0 252.427 2.753 20 0 CFADRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000083052964 650758418 /nfs/dbraw/zinc/75/84/18/650758418.db2.gz PECPNKKBKLGPTK-UHFFFAOYSA-N 2 0 276.428 2.762 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000084217985 650773574 /nfs/dbraw/zinc/77/35/74/650773574.db2.gz KITUKIQGQKEZMZ-YPMHNXCESA-N 2 0 283.213 2.666 20 0 CFADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000876776048 643005628 /nfs/dbraw/zinc/00/56/28/643005628.db2.gz DIHOTJYZHIKJFS-OAHLLOKOSA-N 2 0 295.402 2.589 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876918082 643064631 /nfs/dbraw/zinc/06/46/31/643064631.db2.gz YBRYLJILKNUZTM-SNVBAGLBSA-N 2 0 253.217 2.500 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000876988899 643094938 /nfs/dbraw/zinc/09/49/38/643094938.db2.gz PSKFILOJNWYFIN-GHMZBOCLSA-N 2 0 265.228 2.502 20 0 CFADRP Clc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)nn1 ZINC000877009577 643102138 /nfs/dbraw/zinc/10/21/38/643102138.db2.gz SDKKIJFQCMDLCP-UHFFFAOYSA-N 2 0 296.846 2.876 20 0 CFADRP Cc1nnsc1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000877077139 643138198 /nfs/dbraw/zinc/13/81/98/643138198.db2.gz YAUFRRSLWGQQFE-UHFFFAOYSA-N 2 0 294.468 2.733 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC[C@H]2CCO2)cc1 ZINC000877525276 643329694 /nfs/dbraw/zinc/32/96/94/643329694.db2.gz XUJYHKAQSOLDAL-KRWDZBQOSA-N 2 0 276.424 2.749 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Cl)c2N)C1 ZINC000877584618 643380602 /nfs/dbraw/zinc/38/06/02/643380602.db2.gz IAFCDQNPVUKKPA-GFCCVEGCSA-N 2 0 281.831 2.744 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877610860 643398090 /nfs/dbraw/zinc/39/80/90/643398090.db2.gz ZZOYJSAPCZSXLR-NSHDSACASA-N 2 0 267.244 2.748 20 0 CFADRP COCC[N@@H+](Cc1cccs1)CC1CC[NH+](C)CC1 ZINC000877664983 643441739 /nfs/dbraw/zinc/44/17/39/643441739.db2.gz AVVIMPJSAUHXIS-UHFFFAOYSA-N 2 0 282.453 2.538 20 0 CFADRP COCC[N@H+](CC1CC[NH+](C)CC1)CC1(C)CCCC1 ZINC000877663960 643442219 /nfs/dbraw/zinc/44/22/19/643442219.db2.gz DYVOYNROVSWKFQ-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CCc1nocc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684707 643453279 /nfs/dbraw/zinc/45/32/79/643453279.db2.gz UCWXYVPLJNEKBG-UHFFFAOYSA-N 2 0 277.412 2.545 20 0 CFADRP CC[C@H]1C[C@H](C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCO1 ZINC000877684156 643453556 /nfs/dbraw/zinc/45/35/56/643453556.db2.gz JASMWEXPJRRSFY-SJORKVTESA-N 2 0 294.483 2.999 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000877686823 643455760 /nfs/dbraw/zinc/45/57/60/643455760.db2.gz YYYAMZVXEDQFBT-RLFYNMQTSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC(CC)([NH+](C)C)CC2)CCO1 ZINC000877691072 643456825 /nfs/dbraw/zinc/45/68/25/643456825.db2.gz ZIAFZHBSBKYUPA-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+]CC[C@H]2CCOC2)CC1 ZINC000877698640 643460969 /nfs/dbraw/zinc/46/09/69/643460969.db2.gz ZLWNJHANGLHKGA-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877739175 643506079 /nfs/dbraw/zinc/50/60/79/643506079.db2.gz FNJNIAFOSBPAAZ-NJAFHUGGSA-N 2 0 272.436 2.891 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)C1CCCCC1 ZINC000877741630 643511651 /nfs/dbraw/zinc/51/16/51/643511651.db2.gz WKKQHVFUEOJMPH-BRWVUGGUSA-N 2 0 280.456 2.608 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC(C)(C)Oc3ccccc3)CC[C@H]21 ZINC000877743377 643515213 /nfs/dbraw/zinc/51/52/13/643515213.db2.gz VJWZAWZUJBJSPV-NVXWUHKLSA-N 2 0 288.435 2.870 20 0 CFADRP C[C@H]1CCC[C@H](C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000877746108 643525517 /nfs/dbraw/zinc/52/55/17/643525517.db2.gz HYSBYUAVXMPFAQ-IRXDYDNUSA-N 2 0 293.499 2.525 20 0 CFADRP CC(C)C[N@@H+](CC1=CCCOC1)CC1CC[NH+](C)CC1 ZINC000877767183 643547056 /nfs/dbraw/zinc/54/70/56/643547056.db2.gz BQGGVHZSTDGWJN-UHFFFAOYSA-N 2 0 280.456 2.633 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000877968460 643670016 /nfs/dbraw/zinc/67/00/16/643670016.db2.gz MPJLJWNVYYNZPX-BZSNNMDCSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)nc1Cl ZINC000877970042 643671186 /nfs/dbraw/zinc/67/11/86/643671186.db2.gz KHGJTAQUBJUBNX-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP C=C/C=C/CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878016016 643693810 /nfs/dbraw/zinc/69/38/10/643693810.db2.gz NMOIQFKDCTWFDP-ONEGZZNKSA-N 2 0 278.440 2.553 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878047436 643711627 /nfs/dbraw/zinc/71/16/27/643711627.db2.gz GWGZNPXZWHWNED-OKZBNKHCSA-N 2 0 294.483 2.996 20 0 CFADRP C([C@H]1C[C@H]2CCC[C@H]2O1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000878121172 643747078 /nfs/dbraw/zinc/74/70/78/643747078.db2.gz OMBQILYTNICPON-BRSBDYLESA-N 2 0 292.467 2.894 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)O1 ZINC000878123770 643748253 /nfs/dbraw/zinc/74/82/53/643748253.db2.gz FMKNXZYIPNYMJR-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CC3(CCC3)CO2)[C@H](C)C1 ZINC000878258508 643811652 /nfs/dbraw/zinc/81/16/52/643811652.db2.gz RIRBGDMDDGAQGQ-OAGGEKHMSA-N 2 0 280.456 2.608 20 0 CFADRP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878410754 643880826 /nfs/dbraw/zinc/88/08/26/643880826.db2.gz ATJPZXQRRJDXNQ-ZMSDIMECSA-N 2 0 282.472 2.636 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878513264 643922588 /nfs/dbraw/zinc/92/25/88/643922588.db2.gz YUSIMSRWQGLTAJ-HUUCEWRRSA-N 2 0 268.445 2.750 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878513389 643923236 /nfs/dbraw/zinc/92/32/36/643923236.db2.gz ZYDGSNDDYVGMDW-HUUCEWRRSA-N 2 0 282.472 2.996 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000878662573 643982205 /nfs/dbraw/zinc/98/22/05/643982205.db2.gz QRGFYHHSWYJJAT-JKSUJKDBSA-N 2 0 278.440 2.506 20 0 CFADRP CC[NH+]1CCC(N2CCC[N@H+](CCCC3CC3)CC2)CC1 ZINC000878722273 644007095 /nfs/dbraw/zinc/00/70/95/644007095.db2.gz RQLSGPWUFSBMOE-UHFFFAOYSA-N 2 0 293.499 2.669 20 0 CFADRP C=C/C=C/CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000878721218 644007116 /nfs/dbraw/zinc/00/71/16/644007116.db2.gz DYCGZUFJLWQWPF-AATRIKPKSA-N 2 0 291.483 2.611 20 0 CFADRP COCC[N@H+](CCc1cccs1)CC1CC[NH+](C)CC1 ZINC000879125005 644152334 /nfs/dbraw/zinc/15/23/34/644152334.db2.gz MBYHXJLSDGUCQQ-UHFFFAOYSA-N 2 0 296.480 2.581 20 0 CFADRP CO[C@H]1CC[C@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000879201908 644173424 /nfs/dbraw/zinc/17/34/24/644173424.db2.gz ALMDXDIOKUNCIA-GJZGRUSLSA-N 2 0 266.429 2.504 20 0 CFADRP CO[C@@H]1CC[C@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000879201910 644174452 /nfs/dbraw/zinc/17/44/52/644174452.db2.gz ALMDXDIOKUNCIA-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCC(F)(F)F)CC2 ZINC000879247306 644193828 /nfs/dbraw/zinc/19/38/28/644193828.db2.gz AMACGQAOKIZKGI-UHFFFAOYSA-N 2 0 264.335 2.747 20 0 CFADRP CCC[C@H](C(=O)OCC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248533 644195084 /nfs/dbraw/zinc/19/50/84/644195084.db2.gz VHLKTHNROJHLDA-OAHLLOKOSA-N 2 0 296.455 2.526 20 0 CFADRP COCCCCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248750 644195121 /nfs/dbraw/zinc/19/51/21/644195121.db2.gz ZYSTXQALDRRISB-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP C[N@H+](Cc1cccc(F)c1F)C1CCC([NH3+])CC1 ZINC000091844150 650910019 /nfs/dbraw/zinc/91/00/19/650910019.db2.gz DYCZBOPUWNFAKV-UHFFFAOYSA-N 2 0 254.324 2.667 20 0 CFADRP CCOc1ccccc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091844091 650910205 /nfs/dbraw/zinc/91/02/05/650910205.db2.gz NAKROSGNKRNUCP-UHFFFAOYSA-N 2 0 262.397 2.787 20 0 CFADRP CCc1ccccc1CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580256 644336701 /nfs/dbraw/zinc/33/67/01/644336701.db2.gz GFNJAADLQYSNLR-ROUUACIJSA-N 2 0 272.436 2.818 20 0 CFADRP CN(CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000879581290 644338383 /nfs/dbraw/zinc/33/83/83/644338383.db2.gz XUIXDAVPBMIGGE-AEFFLSMTSA-N 2 0 287.451 2.539 20 0 CFADRP CCN1CCC[C@@H]1C[NH2+][C@H](C)CSC(C)(C)C ZINC000248065285 650922870 /nfs/dbraw/zinc/92/28/70/650922870.db2.gz ZIHRZDQHKOBVKJ-CHWSQXEVSA-N 2 0 258.475 2.981 20 0 CFADRP COC(=O)CC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000880038753 644510720 /nfs/dbraw/zinc/51/07/20/644510720.db2.gz NRLVIVYEJSEXQC-HZPDHXFCSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCN1c1cc[nH+]cc1 ZINC000880259446 644617515 /nfs/dbraw/zinc/61/75/15/644617515.db2.gz TVTPFCMGTLJHOZ-DOTOQJQBSA-N 2 0 289.423 2.551 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CCN1c1cc[nH+]cc1 ZINC000880262582 644619054 /nfs/dbraw/zinc/61/90/54/644619054.db2.gz PQQFVSFEKLCSJF-HUUCEWRRSA-N 2 0 257.381 2.701 20 0 CFADRP C[N@H+](CCc1cccs1)C[C@]1(C)CCC[NH2+]C1 ZINC000093291978 650937433 /nfs/dbraw/zinc/93/74/33/650937433.db2.gz DTFVYHYIVUSDFY-CQSZACIVSA-N 2 0 252.427 2.612 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cccc(F)n1 ZINC000880517052 644747052 /nfs/dbraw/zinc/74/70/52/644747052.db2.gz ISRKQBQDQPLKGP-UHFFFAOYSA-N 2 0 279.403 2.919 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880579458 644777088 /nfs/dbraw/zinc/77/70/88/644777088.db2.gz WPLRKEXVPAFRIR-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000094368103 650957179 /nfs/dbraw/zinc/95/71/79/650957179.db2.gz XPJQSOFXVWSSSX-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000128981054 644966779 /nfs/dbraw/zinc/96/67/79/644966779.db2.gz GPUJLBRCCNOJKI-CMPLNLGQSA-N 2 0 254.324 2.758 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000129037757 644982812 /nfs/dbraw/zinc/98/28/12/644982812.db2.gz TYFVFGWUVBRDSW-GDBMZVCRSA-N 2 0 262.397 2.878 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000250389116 650974282 /nfs/dbraw/zinc/97/42/82/650974282.db2.gz OVFHTZGJOHLHPO-OKZBNKHCSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000130961408 645602121 /nfs/dbraw/zinc/60/21/21/645602121.db2.gz QADMTRTWGUBWGQ-RYUDHWBXSA-N 2 0 258.475 2.979 20 0 CFADRP CC(C)c1c[nH]c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000883182705 645645858 /nfs/dbraw/zinc/64/58/58/645645858.db2.gz JBTDSXMTHICJNL-UHFFFAOYSA-N 2 0 290.455 2.745 20 0 CFADRP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000883195296 645655414 /nfs/dbraw/zinc/65/54/14/645655414.db2.gz PJANXTNKJHEXBB-RDJZCZTQSA-N 2 0 295.515 2.817 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H](C)C1 ZINC000883246443 645694491 /nfs/dbraw/zinc/69/44/91/645694491.db2.gz IQNQFLWIQCMUMD-BBWFWOEESA-N 2 0 280.456 2.679 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C=CCC2)[C@H](C)C1 ZINC000883246444 645694575 /nfs/dbraw/zinc/69/45/75/645694575.db2.gz IQNQFLWIQCMUMD-IKGGRYGDSA-N 2 0 280.456 2.679 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000131315903 645696351 /nfs/dbraw/zinc/69/63/51/645696351.db2.gz PCYXVWFZFJZHQB-WXRRBKDZSA-N 2 0 251.349 2.531 20 0 CFADRP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)OC1 ZINC000883249414 645697010 /nfs/dbraw/zinc/69/70/10/645697010.db2.gz FRNKEKYNPLRFQP-INIZCTEOSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]CC1(CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000883253248 645700058 /nfs/dbraw/zinc/70/00/58/645700058.db2.gz MONZFOFTCQCRBH-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP CSCC[C@@H](C)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253070554 651035620 /nfs/dbraw/zinc/03/56/20/651035620.db2.gz MLZCYGZFDBEJST-FFHGMXDLSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1C[NH3+] ZINC000253190410 651039609 /nfs/dbraw/zinc/03/96/09/651039609.db2.gz LCIZHXGUQMNMGU-CXAGYDPISA-N 2 0 258.409 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CC1(C)C ZINC000883366832 645772498 /nfs/dbraw/zinc/77/24/98/645772498.db2.gz ARJWRCDKUOJREA-LZWOXQAQSA-N 2 0 266.429 2.551 20 0 CFADRP [NH3+]CC1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883416606 645810040 /nfs/dbraw/zinc/81/00/40/645810040.db2.gz ZJWSGBRQEUORIU-SJORKVTESA-N 2 0 274.408 2.577 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883417046 645811259 /nfs/dbraw/zinc/81/12/59/645811259.db2.gz MFYVUWAHECQVFA-WBAXXEDZSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC[C@H](c3ccccc3)O2)C1 ZINC000883428144 645821627 /nfs/dbraw/zinc/82/16/27/645821627.db2.gz MQOIWDLLOFLZPX-RCCFBDPRSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883428302 645821985 /nfs/dbraw/zinc/82/19/85/645821985.db2.gz QPDJGLDBCKYAGH-IXDOHACOSA-N 2 0 274.408 2.577 20 0 CFADRP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)O2)cc1 ZINC000883428432 645822221 /nfs/dbraw/zinc/82/22/21/645822221.db2.gz UFNYFLZHLGHTET-BDXSIMOUSA-N 2 0 286.419 2.591 20 0 CFADRP Cc1nc(C)c(C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000883428055 645822597 /nfs/dbraw/zinc/82/25/97/645822597.db2.gz KKYKSSRZSZIFES-UHFFFAOYSA-N 2 0 265.401 2.632 20 0 CFADRP FC1(F)CCC[C@H]1CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000883427783 645822660 /nfs/dbraw/zinc/82/26/60/645822660.db2.gz BWDVHWWJSJRHCJ-ZDUSSCGKSA-N 2 0 272.383 2.887 20 0 CFADRP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000883428073 645822800 /nfs/dbraw/zinc/82/28/00/645822800.db2.gz KXPBXYPWQSSLJK-ZIAGYGMSSA-N 2 0 272.383 2.887 20 0 CFADRP C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000883429973 645823410 /nfs/dbraw/zinc/82/34/10/645823410.db2.gz KKIXWBIMEDXBBA-SYQHCUMBSA-N 2 0 268.445 2.556 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429585 645823548 /nfs/dbraw/zinc/82/35/48/645823548.db2.gz ZOJDAJWULFRHSL-IKGGRYGDSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(C)[C@@H](CN)[NH2+]CCc1ccccc1Br ZINC000883429703 645824509 /nfs/dbraw/zinc/82/45/09/645824509.db2.gz BUQOXLZWLSDKDJ-CYBMUJFWSA-N 2 0 299.256 2.955 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883434881 645827476 /nfs/dbraw/zinc/82/74/76/645827476.db2.gz DDKYUYUNYVHMPC-ZWKOTPCHSA-N 2 0 288.435 2.968 20 0 CFADRP C([C@@H]1CCC2(CCC2)O1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000883435122 645829529 /nfs/dbraw/zinc/82/95/29/645829529.db2.gz KZFIFVXXDHJTAD-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000883439555 645832799 /nfs/dbraw/zinc/83/27/99/645832799.db2.gz UTFFOCRTLXSICV-ZBFHGGJFSA-N 2 0 280.456 2.785 20 0 CFADRP C[C@H](c1ccccc1)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000883447616 645836799 /nfs/dbraw/zinc/83/67/99/645836799.db2.gz GWKDWQBJXTXJHI-QGZVFWFLSA-N 2 0 289.467 2.884 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000883462179 645843727 /nfs/dbraw/zinc/84/37/27/645843727.db2.gz LMMRTZYTZVPUJN-SWLSCSKDSA-N 2 0 259.397 2.521 20 0 CFADRP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000883462267 645845623 /nfs/dbraw/zinc/84/56/23/645845623.db2.gz NFHLZWUIQSSCCY-ZQIUZPCESA-N 2 0 256.393 2.920 20 0 CFADRP CC[NH2+]Cc1cccc(NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)c1 ZINC000884014486 646097416 /nfs/dbraw/zinc/09/74/16/646097416.db2.gz NOECYIYAIJQVPQ-HNNXBMFYSA-N 2 0 291.439 2.744 20 0 CFADRP CC(C)[C@@H](C(=O)OCCC[NH+]1CCCCC1)[NH+]1CCCC1 ZINC000800171648 646167462 /nfs/dbraw/zinc/16/74/62/646167462.db2.gz QXBKNVLXQSAITP-INIZCTEOSA-N 2 0 296.455 2.526 20 0 CFADRP C[C@H](C(=O)OCCC[NH+]1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000800171752 646169226 /nfs/dbraw/zinc/16/92/26/646169226.db2.gz VLMWMSAIAUECCJ-OWCLPIDISA-N 2 0 296.455 2.667 20 0 CFADRP C[C@@H](C(=O)OCCC[NH+]1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000800171751 646169480 /nfs/dbraw/zinc/16/94/80/646169480.db2.gz VLMWMSAIAUECCJ-OAGGEKHMSA-N 2 0 296.455 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1[nH]nc(C)c1C ZINC000885889500 646761584 /nfs/dbraw/zinc/76/15/84/646761584.db2.gz FHRZTKSJVOXYQS-GFCCVEGCSA-N 2 0 266.433 2.627 20 0 CFADRP C[NH+](C)CC1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000885958436 646782874 /nfs/dbraw/zinc/78/28/74/646782874.db2.gz HCJHDHIXLXICQD-CVEARBPZSA-N 2 0 250.430 2.696 20 0 CFADRP C([C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCC1 ZINC000886019163 646820746 /nfs/dbraw/zinc/82/07/46/646820746.db2.gz MWLOPGDWIGQLSZ-DLBZAZTESA-N 2 0 292.467 2.753 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886027839 646826845 /nfs/dbraw/zinc/82/68/45/646826845.db2.gz JBEMBZAQVSLEDX-JQHSSLGASA-N 2 0 292.467 2.608 20 0 CFADRP CCN1CCC([N@H+](C)CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886030333 646829224 /nfs/dbraw/zinc/82/92/24/646829224.db2.gz JJIWFBBGDDEFGI-ZBFHGGJFSA-N 2 0 250.430 2.839 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCC4(CCC4)CO3)CC[C@H]21 ZINC000886044291 646840282 /nfs/dbraw/zinc/84/02/82/646840282.db2.gz VIUVUJAGJROPED-BRWVUGGUSA-N 2 0 292.467 2.752 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886100428 646871850 /nfs/dbraw/zinc/87/18/50/646871850.db2.gz NFTXYDGBIIKQTK-ZWKOTPCHSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H](C[NH2+]C/C=C/c1cccc(F)c1)C[NH+](C)C ZINC000886122719 646881840 /nfs/dbraw/zinc/88/18/40/646881840.db2.gz IIAXVHBQTQBDQK-VUDGCMKMSA-N 2 0 250.361 2.626 20 0 CFADRP C[N@H+](C[C@H]1CC[C@H](C2CC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000886202796 646918382 /nfs/dbraw/zinc/91/83/82/646918382.db2.gz FASYFKRMGCVMMI-PFUJJPPESA-N 2 0 278.440 2.501 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC(C)(C)CO2)CC1(C)C ZINC000886305475 646960870 /nfs/dbraw/zinc/96/08/70/646960870.db2.gz IAEFUBWDEVGFGY-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886517852 647026187 /nfs/dbraw/zinc/02/61/87/647026187.db2.gz UIHWLTBBQUAVSA-KLAILNCOSA-N 3 0 281.488 2.713 20 0 CFADRP CO[C@H](C)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886520393 647026915 /nfs/dbraw/zinc/02/69/15/647026915.db2.gz CYNUBHUEJJNCAO-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C[C@H](C)O ZINC000886531210 647032464 /nfs/dbraw/zinc/03/24/64/647032464.db2.gz YAQJTVXBYWJCCO-XNIRIUNOSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@@H](O)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886549404 647043000 /nfs/dbraw/zinc/04/30/00/647043000.db2.gz HQGAFDIZTIAPSX-AQFXKWCLSA-N 2 0 282.472 2.924 20 0 CFADRP CC(C)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cnn(C)c1 ZINC000886601429 647062296 /nfs/dbraw/zinc/06/22/96/647062296.db2.gz SMFJTUVMUKRGPV-KRWDZBQOSA-N 2 0 290.455 2.581 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000886615290 647068823 /nfs/dbraw/zinc/06/88/23/647068823.db2.gz CFHAZZLIZYOCJU-ISXOHVOVSA-N 2 0 288.439 2.715 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1nccn1C ZINC000886639354 647082250 /nfs/dbraw/zinc/08/22/50/647082250.db2.gz BGTFBPHLLIABLZ-HPUBIQBYSA-N 2 0 290.455 2.868 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@H]2CC[C@H](C)O2)CC1 ZINC000886716046 647120253 /nfs/dbraw/zinc/12/02/53/647120253.db2.gz MPLYBSHGGOPEKY-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000886721657 647122070 /nfs/dbraw/zinc/12/20/70/647122070.db2.gz GHMXKAFRFPQJJM-XJKSGUPXSA-N 2 0 294.414 2.697 20 0 CFADRP COc1ccc(F)cc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000886723807 647123110 /nfs/dbraw/zinc/12/31/10/647123110.db2.gz MTTKNFGZDQLOKS-CYBMUJFWSA-N 2 0 294.414 2.697 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886839638 647159359 /nfs/dbraw/zinc/15/93/59/647159359.db2.gz JCTCLGZSVICVBB-IKGGRYGDSA-N 2 0 292.467 2.657 20 0 CFADRP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000886843344 647160133 /nfs/dbraw/zinc/16/01/33/647160133.db2.gz WAQWSFAQNKNFLX-WBVHZDCISA-N 2 0 276.399 2.832 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000886858285 647162950 /nfs/dbraw/zinc/16/29/50/647162950.db2.gz UYHBMXAQWSTMKQ-GJZGRUSLSA-N 2 0 293.480 2.706 20 0 CFADRP c1ccc(OCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886865174 647164135 /nfs/dbraw/zinc/16/41/35/647164135.db2.gz CIWSXMLRBPFOPG-QGZVFWFLSA-N 2 0 274.408 2.531 20 0 CFADRP C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874463 647165292 /nfs/dbraw/zinc/16/52/92/647165292.db2.gz OFWAIJMHZCFUJI-YYIAUSFCSA-N 2 0 262.441 2.888 20 0 CFADRP COCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(C)cc1C ZINC000886882051 647167723 /nfs/dbraw/zinc/16/77/23/647167723.db2.gz CHPOYTMZEZJJDT-QGZVFWFLSA-N 2 0 290.451 2.751 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@@H]1C=CCCC1 ZINC000887132856 647222260 /nfs/dbraw/zinc/22/22/60/647222260.db2.gz OROUPZSWGGQSAE-GDBMZVCRSA-N 2 0 257.381 2.701 20 0 CFADRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000887134196 647223133 /nfs/dbraw/zinc/22/31/33/647223133.db2.gz FBDZDVKEDBNTNK-ZBFHGGJFSA-N 2 0 289.423 2.550 20 0 CFADRP COC1(CC[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CCC1 ZINC000887134504 647223491 /nfs/dbraw/zinc/22/34/91/647223491.db2.gz KWVTULLSGPVKAT-OAHLLOKOSA-N 2 0 289.423 2.551 20 0 CFADRP C=C/C=C\CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136328 647224978 /nfs/dbraw/zinc/22/49/78/647224978.db2.gz QEKXFKAVOJMGAM-FOSCPCJNSA-N 2 0 257.381 2.724 20 0 CFADRP CN1CCC[C@@H]1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000300690672 647348408 /nfs/dbraw/zinc/34/84/08/647348408.db2.gz MKPLDCMPPNFADM-LSDHHAIUSA-N 2 0 266.429 2.552 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CC(Sc2ccccc2)C1 ZINC000924540023 647990769 /nfs/dbraw/zinc/99/07/69/647990769.db2.gz OEGCABUEYSUKQJ-UHFFFAOYSA-N 2 0 264.438 2.851 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C(C)(C)O)cc1 ZINC000924541977 647991575 /nfs/dbraw/zinc/99/15/75/647991575.db2.gz WTYMGXGZVJQJJA-CYBMUJFWSA-N 2 0 264.413 2.516 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CC)C[C@@](C)(O)CC)CC1 ZINC000924577213 647998352 /nfs/dbraw/zinc/99/83/52/647998352.db2.gz HNRIATHAUFHXHO-ZBFHGGJFSA-N 2 0 270.461 2.780 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000924577367 647998477 /nfs/dbraw/zinc/99/84/77/647998477.db2.gz JFIVACFXRUHNJM-INIZCTEOSA-N 2 0 275.440 2.724 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924577378 647998606 /nfs/dbraw/zinc/99/86/06/647998606.db2.gz JFNGRNJTYZCUDA-JKSUJKDBSA-N 2 0 268.445 2.512 20 0 CFADRP C(C[NH2+][C@H]1CCOC12CCCCC2)C[NH+]1CCCCC1 ZINC000924577583 647998634 /nfs/dbraw/zinc/99/86/34/647998634.db2.gz HSRWNCLRHVKDAE-INIZCTEOSA-N 2 0 280.456 2.944 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1cccc2c1OCO2 ZINC000924618165 648009508 /nfs/dbraw/zinc/00/95/08/648009508.db2.gz WFSPXEHLIVPFIB-CYBMUJFWSA-N 2 0 278.396 2.796 20 0 CFADRP CC(C)CC[NH+]1CCC(NCCC[N@H+](C)C(C)C)CC1 ZINC000924617457 648009948 /nfs/dbraw/zinc/00/99/48/648009948.db2.gz NQVIBVWVDUVLPD-UHFFFAOYSA-N 3 0 283.504 2.817 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924627481 648011593 /nfs/dbraw/zinc/01/15/93/648011593.db2.gz BGOFODNHJPAUOV-IRXDYDNUSA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924627478 648011716 /nfs/dbraw/zinc/01/17/16/648011716.db2.gz BGOFODNHJPAUOV-DLBZAZTESA-N 2 0 282.472 2.758 20 0 CFADRP CC(C)C(C(C)C)[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924629269 648012538 /nfs/dbraw/zinc/01/25/38/648012538.db2.gz OAVWLSFPLSXSJB-MRXNPFEDSA-N 2 0 297.531 2.919 20 0 CFADRP CC[C@H]1COC[C@@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000924680094 648024972 /nfs/dbraw/zinc/02/49/72/648024972.db2.gz AVYNDHFZKFLWEE-HOTGVXAUSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn(C)cn1 ZINC000924684703 648026534 /nfs/dbraw/zinc/02/65/34/648026534.db2.gz MTHIKPHXNVGRKV-BZUAXINKSA-N 2 0 292.471 2.829 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)on1 ZINC000924684767 648026594 /nfs/dbraw/zinc/02/65/94/648026594.db2.gz FSOWWYAOGCEBOK-UONOGXRCSA-N 2 0 295.427 2.988 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cn(C)cn1 ZINC000924685451 648026739 /nfs/dbraw/zinc/02/67/39/648026739.db2.gz IWIWWOMCFGTPEZ-HUUCEWRRSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@@H]1OC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000924689000 648027637 /nfs/dbraw/zinc/02/76/37/648027637.db2.gz WDYWRVNXLSVHPK-LVQVYYBASA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)C1 ZINC000924708178 648031452 /nfs/dbraw/zinc/03/14/52/648031452.db2.gz WWSALZNNCGSPLW-NUJGCVRESA-N 2 0 287.451 2.724 20 0 CFADRP Cc1nccn1CCC[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924715803 648033986 /nfs/dbraw/zinc/03/39/86/648033986.db2.gz PTMBSZFSTPWTOU-UHFFFAOYSA-N 3 0 292.471 2.682 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccnn1C1CCC1 ZINC000924855844 648060425 /nfs/dbraw/zinc/06/04/25/648060425.db2.gz UILSYBPACRPOEF-ZDUSSCGKSA-N 2 0 264.417 2.601 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000924856828 648060961 /nfs/dbraw/zinc/06/09/61/648060961.db2.gz YKHMGNQTCLKDIE-HNNXBMFYSA-N 3 0 277.456 2.741 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000924855706 648061078 /nfs/dbraw/zinc/06/10/78/648061078.db2.gz XTPHQUWFQFTOTP-KBPBESRZSA-N 2 0 278.440 2.905 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924956169 648078287 /nfs/dbraw/zinc/07/82/87/648078287.db2.gz UKSBSCQMEMCDNW-MSOLQXFVSA-N 2 0 294.483 2.903 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccns2)CC1 ZINC000924956187 648078298 /nfs/dbraw/zinc/07/82/98/648078298.db2.gz UXTYYMHTWGWCNU-LBPRGKRZSA-N 2 0 267.442 2.916 20 0 CFADRP COc1ccnc([C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000924961166 648080965 /nfs/dbraw/zinc/08/09/65/648080965.db2.gz UYKHCOIKQCQUTB-HUUCEWRRSA-N 2 0 291.439 2.861 20 0 CFADRP CC(C)(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000925023710 648089678 /nfs/dbraw/zinc/08/96/78/648089678.db2.gz PGRUNMQRYAYBBB-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925135384 648113730 /nfs/dbraw/zinc/11/37/30/648113730.db2.gz WDALXOXHRSRUBS-DLBZAZTESA-N 3 0 290.455 2.578 20 0 CFADRP CC(C)[C@H](CCO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925151848 648117727 /nfs/dbraw/zinc/11/77/27/648117727.db2.gz DRUGUKKXWRIASR-PBHICJAKSA-N 2 0 278.440 2.806 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)[C@@H](C)C1 ZINC000925167386 648122459 /nfs/dbraw/zinc/12/24/59/648122459.db2.gz CCGIFIGMNIHROS-LUGNKYPNSA-N 2 0 268.470 2.733 20 0 CFADRP CCC[C@@H](CCO)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000925185417 648125754 /nfs/dbraw/zinc/12/57/54/648125754.db2.gz BZMRTBTZLOSKQK-INIZCTEOSA-N 2 0 284.488 2.885 20 0 CFADRP C[C@@H]1OC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1C ZINC000925207095 648131584 /nfs/dbraw/zinc/13/15/84/648131584.db2.gz ODCBWMIXFHRBLA-KEYYUXOJSA-N 2 0 280.456 2.797 20 0 CFADRP CN(C)[C@]1(C[NH2+][C@@H]2CCOC23CCCCC3)CCSC1 ZINC000925211120 648132258 /nfs/dbraw/zinc/13/22/58/648132258.db2.gz BNKLLOCLCGDHIO-CABCVRRESA-N 2 0 298.496 2.505 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1(Br)CC1 ZINC000925218738 648133172 /nfs/dbraw/zinc/13/31/72/648133172.db2.gz ZINXVYDPRHAODG-QJPTWQEYSA-N 2 0 289.261 2.765 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000925223094 648135241 /nfs/dbraw/zinc/13/52/41/648135241.db2.gz VGEIVCNGKNPFLG-BRWVUGGUSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cn(C)cn2)CC1 ZINC000925233438 648138222 /nfs/dbraw/zinc/13/82/22/648138222.db2.gz VZJVNWONRITXER-HNNXBMFYSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cn(C)cn2)CC1 ZINC000925233439 648138509 /nfs/dbraw/zinc/13/85/09/648138509.db2.gz VZJVNWONRITXER-OAHLLOKOSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000925299201 648152242 /nfs/dbraw/zinc/15/22/42/648152242.db2.gz YHPGPEZQFXZNDR-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C)C2(Br)CC2)CC1 ZINC000925303148 648153135 /nfs/dbraw/zinc/15/31/35/648153135.db2.gz LUWMQUFKRQMLCN-LLVKDONJSA-N 2 0 289.261 2.765 20 0 CFADRP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000925307002 648153686 /nfs/dbraw/zinc/15/36/86/648153686.db2.gz JYQZNFZDTLLXSO-NHAGDIPZSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925308412 648154786 /nfs/dbraw/zinc/15/47/86/648154786.db2.gz PXDNHTUTBCQAFF-HUUCEWRRSA-N 2 0 286.423 2.684 20 0 CFADRP CC(C)OCc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925472128 648177259 /nfs/dbraw/zinc/17/72/59/648177259.db2.gz ASEFAWADQVRSDY-DLBZAZTESA-N 2 0 288.435 2.971 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925475434 648177857 /nfs/dbraw/zinc/17/78/57/648177857.db2.gz CWBAXNRXPWPJPZ-GVDBMIGSSA-N 2 0 282.472 2.541 20 0 CFADRP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925494644 648183479 /nfs/dbraw/zinc/18/34/79/648183479.db2.gz LEEMHNJSXXPVDN-KRWDZBQOSA-N 2 0 283.419 2.975 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925502869 648186122 /nfs/dbraw/zinc/18/61/22/648186122.db2.gz JDHKCFVLBDDHIL-JKSUJKDBSA-N 2 0 258.409 2.651 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccs1 ZINC000925504288 648187911 /nfs/dbraw/zinc/18/79/11/648187911.db2.gz LKAHICMCIOKVKD-MELADBBJSA-N 2 0 295.496 2.846 20 0 CFADRP CSCCCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925505825 648188477 /nfs/dbraw/zinc/18/84/77/648188477.db2.gz STWMZOGRPJXDIY-HUUCEWRRSA-N 2 0 270.486 2.888 20 0 CFADRP c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925505785 648188782 /nfs/dbraw/zinc/18/87/82/648188782.db2.gz WKXWDIBBXBSJEG-DLBZAZTESA-N 2 0 258.409 2.945 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccc(F)c1 ZINC000925507044 648189733 /nfs/dbraw/zinc/18/97/33/648189733.db2.gz YTOFPKKFCFSBSG-PASATYPHSA-N 2 0 288.410 2.689 20 0 CFADRP C[C@H]([NH3+])[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925512516 648192341 /nfs/dbraw/zinc/19/23/41/648192341.db2.gz FGAOJTXQYJWAHJ-RYRKJORJSA-N 2 0 289.467 2.929 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCSCc2ccccc2F)C12CCC2 ZINC000925513585 648192448 /nfs/dbraw/zinc/19/24/48/648192448.db2.gz KHTUXGPPIAZFSY-GJZGRUSLSA-N 2 0 294.439 2.918 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccccc1 ZINC000925517021 648194528 /nfs/dbraw/zinc/19/45/28/648194528.db2.gz WUPOMMCZYDQPGJ-HZPDHXFCSA-N 2 0 290.432 2.851 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[C@H]2CCCO[C@@H]21 ZINC000925519572 648196701 /nfs/dbraw/zinc/19/67/01/648196701.db2.gz URGRDULETLOWSM-KHMAMNHCSA-N 2 0 280.456 2.686 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)c[nH]c21 ZINC000925521034 648197493 /nfs/dbraw/zinc/19/74/93/648197493.db2.gz ILWXXPBIPATOPL-HZPDHXFCSA-N 2 0 283.419 2.878 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925522796 648198313 /nfs/dbraw/zinc/19/83/13/648198313.db2.gz UXMCGBNCJSLPBP-JQFCIGGWSA-N 2 0 288.435 2.876 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000925524860 648199566 /nfs/dbraw/zinc/19/95/66/648199566.db2.gz AZPDTBDNMMELHD-HNAYVOBHSA-N 2 0 297.446 2.926 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccsc2)C1 ZINC000925528246 648201496 /nfs/dbraw/zinc/20/14/96/648201496.db2.gz QYBGSAGPEXSVPP-STQMWFEESA-N 2 0 252.427 2.786 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCC1 ZINC000925529876 648202803 /nfs/dbraw/zinc/20/28/03/648202803.db2.gz NATHQGOCCBPIRQ-SJUNHDGSSA-N 2 0 292.467 2.558 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)C12CCC2 ZINC000925533546 648204165 /nfs/dbraw/zinc/20/41/65/648204165.db2.gz NNDUWRGXLMWJMA-GJZGRUSLSA-N 2 0 256.393 2.578 20 0 CFADRP Cc1nn(C)c(C)c1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925542536 648209312 /nfs/dbraw/zinc/20/93/12/648209312.db2.gz PHEXOOPYHSEBIZ-KRWDZBQOSA-N 2 0 286.423 2.607 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925546686 648211296 /nfs/dbraw/zinc/21/12/96/648211296.db2.gz MHXUAWGYZZPUHP-JKSUJKDBSA-N 2 0 286.419 2.586 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925547132 648211577 /nfs/dbraw/zinc/21/15/77/648211577.db2.gz SALLFJHWXBDLCE-QGZVFWFLSA-N 2 0 289.467 2.757 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548146 648211622 /nfs/dbraw/zinc/21/16/22/648211622.db2.gz RDMGDFFFIOGRSE-ZBFHGGJFSA-N 2 0 289.423 2.641 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCCS1)c1ccccc1 ZINC000925552409 648213570 /nfs/dbraw/zinc/21/35/70/648213570.db2.gz KQCIDGRSGURQGL-CABCVRRESA-N 2 0 264.438 2.952 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cccn3)cc2)C[C@@H]([NH3+])C1 ZINC000925552816 648213596 /nfs/dbraw/zinc/21/35/96/648213596.db2.gz KWYYYCWBNYKAPG-CVEARBPZSA-N 2 0 298.434 2.868 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000925555301 648214327 /nfs/dbraw/zinc/21/43/27/648214327.db2.gz GMJONZQDWWZELO-OAHLLOKOSA-N 2 0 280.456 2.848 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)s1 ZINC000925554761 648214759 /nfs/dbraw/zinc/21/47/59/648214759.db2.gz AUANAUOQHKZAKQ-CHWSQXEVSA-N 2 0 281.469 2.798 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925558196 648215581 /nfs/dbraw/zinc/21/55/81/648215581.db2.gz OLCIPMMSKSEIEJ-ZIAGYGMSSA-N 2 0 262.422 2.768 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925562318 648217661 /nfs/dbraw/zinc/21/76/61/648217661.db2.gz HCVLQKNPXRNPTD-ARFHVFGLSA-N 2 0 288.435 2.930 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccccc1 ZINC000925562783 648218876 /nfs/dbraw/zinc/21/88/76/648218876.db2.gz YEZYENYOGHSMOQ-INIZCTEOSA-N 2 0 273.355 2.791 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCc2ccccc2OC2CCC2)C12CCC2 ZINC000925568365 648221702 /nfs/dbraw/zinc/22/17/02/648221702.db2.gz KDYKAMZFOOIZKX-SJORKVTESA-N 2 0 286.419 2.977 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925577356 648224259 /nfs/dbraw/zinc/22/42/59/648224259.db2.gz RALVFCPISXIDDH-FPCVCCKLSA-N 2 0 282.472 2.933 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CCCCO1 ZINC000925580088 648225353 /nfs/dbraw/zinc/22/53/53/648225353.db2.gz JRZMZVKZBYHJJF-CABCVRRESA-N 2 0 280.456 2.846 20 0 CFADRP CO[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1Cl ZINC000925584019 648227652 /nfs/dbraw/zinc/22/76/52/648227652.db2.gz OUCCENXNBPYSJG-KFWWJZLASA-N 2 0 294.826 2.887 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(OCC(F)F)c2)C12CCC2 ZINC000925590312 648230573 /nfs/dbraw/zinc/23/05/73/648230573.db2.gz HFIWVCHUEZQOPR-UONOGXRCSA-N 2 0 296.361 2.690 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925596456 648232990 /nfs/dbraw/zinc/23/29/90/648232990.db2.gz MYKMBJQFYNHIBI-QLFBSQMISA-N 2 0 250.430 2.790 20 0 CFADRP COC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000925597693 648233318 /nfs/dbraw/zinc/23/33/18/648233318.db2.gz RFABVOCURYSNBV-MRXNPFEDSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925613853 648240494 /nfs/dbraw/zinc/24/04/94/648240494.db2.gz TZFFGBJOXHXEAR-SJLPKXTDSA-N 2 0 289.467 2.931 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925620331 648243051 /nfs/dbraw/zinc/24/30/51/648243051.db2.gz ULJMHLJZKBEBKU-IAGOWNOFSA-N 2 0 296.418 2.540 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@H]2CCCN[C@@H]2C)c1 ZINC000925621327 648243651 /nfs/dbraw/zinc/24/36/51/648243651.db2.gz HCINDQMICOHLQI-CJNGLKHVSA-N 2 0 276.424 2.703 20 0 CFADRP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)c2ccccc2n1 ZINC000925622372 648244918 /nfs/dbraw/zinc/24/49/18/648244918.db2.gz KULYZPUYJFGASM-CVEARBPZSA-N 2 0 297.402 2.603 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925626723 648246454 /nfs/dbraw/zinc/24/64/54/648246454.db2.gz SZZNPDXVLJISQK-MCIONIFRSA-N 2 0 270.461 2.525 20 0 CFADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627596 648247452 /nfs/dbraw/zinc/24/74/52/648247452.db2.gz WJTRNHKVJPFZIC-QRJUGERDSA-N 2 0 294.483 2.946 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1cccs1 ZINC000925629311 648248719 /nfs/dbraw/zinc/24/87/19/648248719.db2.gz JBGGPIGPOILRAW-DOOHLRMFSA-N 2 0 264.438 2.786 20 0 CFADRP Cc1cncc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925628991 648248758 /nfs/dbraw/zinc/24/87/58/648248758.db2.gz JHURWVWOTUYGSE-IAGOWNOFSA-N 2 0 273.424 2.648 20 0 CFADRP FC1(F)CCC([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925632062 648251249 /nfs/dbraw/zinc/25/12/49/648251249.db2.gz ZKNBTTRNBUUKGD-GFCCVEGCSA-N 2 0 258.356 2.829 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000925633298 648252755 /nfs/dbraw/zinc/25/27/55/648252755.db2.gz DFZJYJJJFPNJIC-JHJVBQTASA-N 2 0 256.459 2.768 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C12CCCC2)[C@H]1CCCCS1 ZINC000925636606 648254679 /nfs/dbraw/zinc/25/46/79/648254679.db2.gz YRICPPOREZAQHW-CHWSQXEVSA-N 2 0 254.443 2.536 20 0 CFADRP CC1(C)[C@@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925645468 648259127 /nfs/dbraw/zinc/25/91/27/648259127.db2.gz PSTYXCGVPRECCO-KCXAZCMYSA-N 2 0 294.389 2.874 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646275 648259340 /nfs/dbraw/zinc/25/93/40/648259340.db2.gz XPEBYGQQOONJHN-AXFHLTTASA-N 2 0 264.335 2.823 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)cn(C)c2c1 ZINC000925645343 648259515 /nfs/dbraw/zinc/25/95/15/648259515.db2.gz PUCCJQUUBBVVKY-ROUUACIJSA-N 2 0 297.446 2.889 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000925646871 648260196 /nfs/dbraw/zinc/26/01/96/648260196.db2.gz XVXPSRYWLQSADP-MCKZFVMYSA-N 2 0 290.382 2.755 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC2)C12CCC2 ZINC000925647650 648260416 /nfs/dbraw/zinc/26/04/16/648260416.db2.gz ZWBOWPAXFHDHGG-GJZGRUSLSA-N 2 0 256.393 2.621 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)F)C12CCC2 ZINC000925650412 648261119 /nfs/dbraw/zinc/26/11/19/648261119.db2.gz UUMAICWQNIQRQM-UONOGXRCSA-N 2 0 296.361 2.690 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000925655945 648264814 /nfs/dbraw/zinc/26/48/14/648264814.db2.gz MTRMHVGGACTMAU-JGGZEWDASA-N 2 0 258.356 2.527 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925662789 648268746 /nfs/dbraw/zinc/26/87/46/648268746.db2.gz LKVDMQDUQVCKJH-QZTJIDSGSA-N 2 0 287.451 2.690 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCCOC(F)F)c1ccccc1 ZINC000925668310 648270898 /nfs/dbraw/zinc/27/08/98/648270898.db2.gz YIDLTFOHFFNSDE-CYBMUJFWSA-N 2 0 272.339 2.686 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925670826 648271762 /nfs/dbraw/zinc/27/17/62/648271762.db2.gz OJZXWWMWYSCIRF-BZSNNMDCSA-N 2 0 293.499 2.619 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925676644 648275065 /nfs/dbraw/zinc/27/50/65/648275065.db2.gz OMFGKADKBTXYKM-BPQIPLTHSA-N 2 0 295.515 2.865 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925676650 648275227 /nfs/dbraw/zinc/27/52/27/648275227.db2.gz OMFGKADKBTXYKM-RYQLBKOJSA-N 2 0 295.515 2.865 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925676128 648275276 /nfs/dbraw/zinc/27/52/76/648275276.db2.gz YZLOJOXHPUPACE-RDJZCZTQSA-N 2 0 288.435 2.856 20 0 CFADRP C[C@@H](CC(C)(C)O)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925678901 648276301 /nfs/dbraw/zinc/27/63/01/648276301.db2.gz AJAOLNGPJLCQSU-DZGCQCFKSA-N 2 0 264.413 2.606 20 0 CFADRP Cc1ncsc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925682750 648278519 /nfs/dbraw/zinc/27/85/19/648278519.db2.gz ZQISCEZRFKWZEN-CABCVRRESA-N 2 0 293.480 2.752 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccccc1 ZINC000925691880 648282278 /nfs/dbraw/zinc/28/22/78/648282278.db2.gz KPCOFOXDFJVAPG-LJQANCHMSA-N 3 0 297.446 2.758 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CS1 ZINC000925693463 648282800 /nfs/dbraw/zinc/28/28/00/648282800.db2.gz COIDQBHDYKFUHJ-UNQGMJICSA-N 2 0 268.470 2.638 20 0 CFADRP COCC1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925693551 648282898 /nfs/dbraw/zinc/28/28/98/648282898.db2.gz SJKJWWQXRAWPBO-SHWKFHJASA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)c2nccn21 ZINC000925697203 648285234 /nfs/dbraw/zinc/28/52/34/648285234.db2.gz ZNXUWLXXXYERDM-BMFZPTHFSA-N 2 0 284.407 2.959 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2cccc3c2CCCN3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925698645 648285247 /nfs/dbraw/zinc/28/52/47/648285247.db2.gz GMZKWSGOSMBWCK-BPQIPLTHSA-N 2 0 299.462 2.911 20 0 CFADRP [NH3+]C[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccc2ccccc2c1 ZINC000925700244 648285381 /nfs/dbraw/zinc/28/53/81/648285381.db2.gz OIIMPGDUKLARPH-KSZLIROESA-N 2 0 295.430 2.699 20 0 CFADRP C[C@H](N)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000925703291 648286171 /nfs/dbraw/zinc/28/61/71/648286171.db2.gz CYIZJCSJSOVRNX-LYAPFXNSSA-N 2 0 275.440 2.537 20 0 CFADRP Cn1cc(CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccc21 ZINC000925708480 648289452 /nfs/dbraw/zinc/28/94/52/648289452.db2.gz MHIJJPZLASFDNA-DLBZAZTESA-N 2 0 283.419 2.580 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925708700 648289635 /nfs/dbraw/zinc/28/96/35/648289635.db2.gz RRUMQJCOGHHKSK-ULQDDVLXSA-N 2 0 293.499 2.617 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2SCCS2)C1 ZINC000925715023 648293929 /nfs/dbraw/zinc/29/39/29/648293929.db2.gz BIPKCCIUEASELU-WDEREUQCSA-N 2 0 274.499 2.678 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CCCC2)C12CCC2 ZINC000925719487 648297180 /nfs/dbraw/zinc/29/71/80/648297180.db2.gz TUFMOYAQIXILNC-MNOVXSKESA-N 2 0 276.346 2.969 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925734135 648302038 /nfs/dbraw/zinc/30/20/38/648302038.db2.gz NUYGIINYCIRSIK-BOLLXYOYSA-N 3 0 281.488 2.745 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000925739322 648304361 /nfs/dbraw/zinc/30/43/61/648304361.db2.gz VZODEKXCCKNVAG-OLZOCXBDSA-N 2 0 294.439 2.913 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925766397 648312132 /nfs/dbraw/zinc/31/21/32/648312132.db2.gz JRVQJNFFLPGEAH-UAGQMJEPSA-N 2 0 260.425 2.841 20 0 CFADRP C[C@H]([NH2+][C@H](Cn1ccnc1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000925771631 648314963 /nfs/dbraw/zinc/31/49/63/648314963.db2.gz NHCCNZUUDLDJEL-RYQLBKOJSA-N 2 0 298.434 2.602 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925772878 648315762 /nfs/dbraw/zinc/31/57/62/648315762.db2.gz KPZKQJFMWVCHAC-PMXAPFLYSA-N 2 0 250.430 2.774 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCc2cscc2Cl)C12CCC2 ZINC000925772393 648316345 /nfs/dbraw/zinc/31/63/45/648316345.db2.gz SNHKOHAIQPYNAB-GHMZBOCLSA-N 2 0 256.802 2.761 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC2(CCC2)CO1 ZINC000925772246 648316412 /nfs/dbraw/zinc/31/64/12/648316412.db2.gz HJQIHLDUZYSWMA-NXOAAHMSSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1c2ccccc2CC[C@@H]1F ZINC000925773328 648316595 /nfs/dbraw/zinc/31/65/95/648316595.db2.gz XSOKSWLEKKWYNQ-ZCPGHIKRSA-N 2 0 276.399 2.990 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC1(C)C ZINC000925778728 648320075 /nfs/dbraw/zinc/32/00/75/648320075.db2.gz UXKBODOSTKGNPX-TUAOUCFPSA-N 2 0 260.372 2.646 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925780735 648321011 /nfs/dbraw/zinc/32/10/11/648321011.db2.gz VJCKEUPWKNTSAA-DOMZBBRYSA-N 2 0 280.362 2.817 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925785265 648322886 /nfs/dbraw/zinc/32/28/86/648322886.db2.gz MLYOTNSRAZHHAD-DVOMOZLQSA-N 2 0 274.408 2.518 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Cl)c1 ZINC000925790608 648324590 /nfs/dbraw/zinc/32/45/90/648324590.db2.gz JHDPSFYUVPGYLQ-WZRBSPASSA-N 2 0 252.789 2.846 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925799165 648327215 /nfs/dbraw/zinc/32/72/15/648327215.db2.gz MRNALKCJOCALCB-IJEWVQPXSA-N 2 0 276.424 2.982 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799029 648327258 /nfs/dbraw/zinc/32/72/58/648327258.db2.gz SPBXGJIGIVRVOW-GKLJAUDBSA-N 2 0 258.409 2.755 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000925801095 648327265 /nfs/dbraw/zinc/32/72/65/648327265.db2.gz TZMNWTSCEACYAJ-HZSPNIEDSA-N 2 0 292.423 2.600 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000925803459 648327940 /nfs/dbraw/zinc/32/79/40/648327940.db2.gz OTYNPDTXELPHOB-CKEIUWERSA-N 2 0 273.424 2.769 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925803948 648328146 /nfs/dbraw/zinc/32/81/46/648328146.db2.gz BANOOZXCLQLAJH-MSOLQXFVSA-N 2 0 298.434 2.664 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000925804178 648328299 /nfs/dbraw/zinc/32/82/99/648328299.db2.gz DLIYECFYRZXIPE-HVOFVXBASA-N 2 0 273.424 2.936 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802229 648328354 /nfs/dbraw/zinc/32/83/54/648328354.db2.gz YZJYAMUTLQQCMP-SIIHOXLZSA-N 2 0 288.435 2.908 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925806270 648329366 /nfs/dbraw/zinc/32/93/66/648329366.db2.gz ZGUKLZJMWHXWOP-OAHLLOKOSA-N 2 0 286.423 2.522 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cnccc1N ZINC000925808429 648330343 /nfs/dbraw/zinc/33/03/43/648330343.db2.gz NYTVGQCUNIPJPU-CQSZACIVSA-N 2 0 290.455 2.705 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808739 648330372 /nfs/dbraw/zinc/33/03/72/648330372.db2.gz DYZCHHIETYLIQC-HOTGVXAUSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)nn1C ZINC000925810331 648330620 /nfs/dbraw/zinc/33/06/20/648330620.db2.gz YTGFKESVFJFKOJ-HNNXBMFYSA-N 2 0 292.471 2.939 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2ccccc2c1 ZINC000925809460 648330846 /nfs/dbraw/zinc/33/08/46/648330846.db2.gz IKPIZOXNGXDQJJ-OAHLLOKOSA-N 2 0 297.446 2.914 20 0 CFADRP CC[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000925810337 648331005 /nfs/dbraw/zinc/33/10/05/648331005.db2.gz YUUZWHGFAYDQLW-IRXDYDNUSA-N 3 0 281.488 2.667 20 0 CFADRP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000925809791 648331293 /nfs/dbraw/zinc/33/12/93/648331293.db2.gz WWEXHIIWHREVSP-RDJZCZTQSA-N 2 0 282.472 2.951 20 0 CFADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815111 648331735 /nfs/dbraw/zinc/33/17/35/648331735.db2.gz OELVJQLHPJDJPP-NVXWUHKLSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH3+])CC2)C1 ZINC000925816487 648332835 /nfs/dbraw/zinc/33/28/35/648332835.db2.gz HEQMBIUOCOOITQ-NVXWUHKLSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925824766 648334364 /nfs/dbraw/zinc/33/43/64/648334364.db2.gz VMRFIEDADHIPOA-FZORNADOSA-N 2 0 298.430 2.876 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925829185 648336644 /nfs/dbraw/zinc/33/66/44/648336644.db2.gz MWTOTZJIQPQLDH-NDBYEHHHSA-N 2 0 294.361 2.736 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925830194 648336834 /nfs/dbraw/zinc/33/68/34/648336834.db2.gz GGSWKGRJYOPADM-CABCVRRESA-N 2 0 262.372 2.717 20 0 CFADRP FCC[C@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925838914 648339913 /nfs/dbraw/zinc/33/99/13/648339913.db2.gz FKOJYVJAOBCGKD-LXTVHRRPSA-N 2 0 254.393 2.637 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccnc(Cl)c1 ZINC000925843457 648342081 /nfs/dbraw/zinc/34/20/81/648342081.db2.gz NYYPOHQJBZLURT-UXIGCNINSA-N 2 0 279.815 2.918 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000925861469 648347864 /nfs/dbraw/zinc/34/78/64/648347864.db2.gz QDKXIPUOZUUODG-IHRRRGAJSA-N 2 0 268.470 2.782 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000925862267 648348019 /nfs/dbraw/zinc/34/80/19/648348019.db2.gz ZKBPDVUDGJYDNY-JCCCHCCOSA-N 3 0 279.472 2.643 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCS1 ZINC000925861864 648348352 /nfs/dbraw/zinc/34/83/52/648348352.db2.gz UPCVKNLSRYJDRS-NIFZNCRKSA-N 2 0 268.470 2.781 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2CCCc3cccnc32)C1 ZINC000925872129 648351858 /nfs/dbraw/zinc/35/18/58/648351858.db2.gz PWOAWOBZGWPFOB-ZNMIVQPWSA-N 2 0 273.424 2.955 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc2c(c1)CCC2 ZINC000925877313 648352763 /nfs/dbraw/zinc/35/27/63/648352763.db2.gz ODDJPPBFEKWAFH-AHIWAGSCSA-N 2 0 258.409 2.953 20 0 CFADRP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877737 648352921 /nfs/dbraw/zinc/35/29/21/648352921.db2.gz WBZIADOSBHJQSV-MCIONIFRSA-N 2 0 262.397 2.782 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C12CCCCC2 ZINC000925882506 648354672 /nfs/dbraw/zinc/35/46/72/648354672.db2.gz NRJDWDHQZSRJTK-FXUDXRNXSA-N 2 0 280.456 2.831 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)[C@@H](C)C2 ZINC000925882345 648354681 /nfs/dbraw/zinc/35/46/81/648354681.db2.gz LAMZDJLCXOEBEV-YXPYIKCWSA-N 2 0 258.409 2.945 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cncc(F)c1 ZINC000925888482 648357127 /nfs/dbraw/zinc/35/71/27/648357127.db2.gz UMMVFENPLPDDNK-XWIAVFTESA-N 2 0 299.393 2.930 20 0 CFADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCSCC2)C1 ZINC000925888444 648357368 /nfs/dbraw/zinc/35/73/68/648357368.db2.gz SPBAQDVTTBYJPE-IYBDPMFKSA-N 2 0 276.449 2.531 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925991759 648379970 /nfs/dbraw/zinc/37/99/70/648379970.db2.gz FHLGXFOGWDBAIO-SJORKVTESA-N 2 0 297.406 2.696 20 0 CFADRP COC1(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000926113624 648407627 /nfs/dbraw/zinc/40/76/27/648407627.db2.gz COMCIQNJAIQELH-CQSZACIVSA-N 2 0 276.424 2.968 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926118660 648409304 /nfs/dbraw/zinc/40/93/04/648409304.db2.gz APALRBKMZTWKGX-KSXIZUIISA-N 2 0 280.456 2.652 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926230714 648442596 /nfs/dbraw/zinc/44/25/96/648442596.db2.gz WLGBBRHBGHCAEW-PBHICJAKSA-N 2 0 298.434 2.610 20 0 CFADRP CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926281639 648454321 /nfs/dbraw/zinc/45/43/21/648454321.db2.gz QXHIQWKVDXOADE-GOOCMWNKSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000926287052 648454974 /nfs/dbraw/zinc/45/49/74/648454974.db2.gz MAMJHFSYUPEPAJ-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCC1CC(O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926287492 648456268 /nfs/dbraw/zinc/45/62/68/648456268.db2.gz DFGPLXZYPRRPTF-TUBUQKNSSA-N 2 0 276.424 2.560 20 0 CFADRP C[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926336331 648465469 /nfs/dbraw/zinc/46/54/69/648465469.db2.gz ASUGZRJXZPWJGW-KDOFPFPSSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926336328 648465502 /nfs/dbraw/zinc/46/55/02/648465502.db2.gz ASUGZRJXZPWJGW-KBXCAEBGSA-N 2 0 290.451 2.950 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1(C)C ZINC000926358144 648471397 /nfs/dbraw/zinc/47/13/97/648471397.db2.gz VHBYSJSNNWFLDF-HOTGVXAUSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C[NH+](C)C)c1 ZINC000926469954 648499758 /nfs/dbraw/zinc/49/97/58/648499758.db2.gz IMQOXQQSJUXKKS-LSDHHAIUSA-N 3 0 277.456 2.597 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926487797 648505973 /nfs/dbraw/zinc/50/59/73/648505973.db2.gz PWRXFLZBVRSEBY-IRXDYDNUSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CCO)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926501496 648510958 /nfs/dbraw/zinc/51/09/58/648510958.db2.gz YDVMFTUNVWHLJB-HUUCEWRRSA-N 2 0 278.440 2.807 20 0 CFADRP C[C@@H](CCCCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926509223 648514139 /nfs/dbraw/zinc/51/41/39/648514139.db2.gz IYBYWIFHCPWPLW-GJZGRUSLSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cn2c(n1)CCCC2 ZINC000926558380 648532670 /nfs/dbraw/zinc/53/26/70/648532670.db2.gz HIRDCSAGSWUFRE-AWEZNQCLSA-N 2 0 290.455 2.744 20 0 CFADRP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000926560944 648533885 /nfs/dbraw/zinc/53/38/85/648533885.db2.gz UQDIARLTKSOGCT-AWEZNQCLSA-N 2 0 277.412 2.824 20 0 CFADRP COCC[C@H](C)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926576398 648540312 /nfs/dbraw/zinc/54/03/12/648540312.db2.gz CQSMCUDKIKIGIJ-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000926582230 648541907 /nfs/dbraw/zinc/54/19/07/648541907.db2.gz KRVPCPLBPRBNCC-DZGCQCFKSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000926617923 648552244 /nfs/dbraw/zinc/55/22/44/648552244.db2.gz WUIPMJOJYJIZLM-MIFYACCESA-N 2 0 250.430 2.885 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926645763 648560717 /nfs/dbraw/zinc/56/07/17/648560717.db2.gz RFRZHOLFWGLWJI-FHERZECASA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@H+](CCC[NH2+]C1CCN(OC)CC1)C1CCCCC1 ZINC000926651142 648563561 /nfs/dbraw/zinc/56/35/61/648563561.db2.gz PNNSNVFEIPSIOO-UHFFFAOYSA-N 2 0 297.487 2.647 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000926661145 648566274 /nfs/dbraw/zinc/56/62/74/648566274.db2.gz AISZKTUHYPFHKR-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000926660775 648566335 /nfs/dbraw/zinc/56/63/35/648566335.db2.gz ZHVQLFUMQCJDAQ-DAAZQVBGSA-N 2 0 291.266 2.890 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccnn1CC1CCC1 ZINC000926665670 648566849 /nfs/dbraw/zinc/56/68/49/648566849.db2.gz JXZGCXOLWLQRKJ-CWRNSKLLSA-N 2 0 290.455 2.674 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926668179 648569013 /nfs/dbraw/zinc/56/90/13/648569013.db2.gz WHPXNMHCOVLGQP-DLBZAZTESA-N 2 0 293.499 2.810 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926716527 648588150 /nfs/dbraw/zinc/58/81/50/648588150.db2.gz UIQJSPNJAHZSFF-QAPCUYQASA-N 2 0 289.467 2.883 20 0 CFADRP C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccns1 ZINC000926755780 648603444 /nfs/dbraw/zinc/60/34/44/648603444.db2.gz ZTXXWQJRTHZVMW-VXGBXAGGSA-N 2 0 253.415 2.526 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000926791673 648618207 /nfs/dbraw/zinc/61/82/07/648618207.db2.gz VIVLDOQTXAJXNX-IJEWVQPXSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccnnc1 ZINC000926884269 648644602 /nfs/dbraw/zinc/64/46/02/648644602.db2.gz GCBUBQKWESXLFA-ODIFPOPNSA-N 2 0 288.439 2.924 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)C1CC[NH+](C)CC1 ZINC000926923959 648660118 /nfs/dbraw/zinc/66/01/18/648660118.db2.gz UJCSILLLNKWXGD-KBPBESRZSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)C1CC[NH+](C)CC1 ZINC000926923960 648660313 /nfs/dbraw/zinc/66/03/13/648660313.db2.gz UJCSILLLNKWXGD-KGLIPLIRSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@H]1CC2(CC([NH2+]C3CCC(C)([NH+]4CCC4)CC3)C2)CO1 ZINC000927039656 648690413 /nfs/dbraw/zinc/69/04/13/648690413.db2.gz VDHKOAYLKQQTNI-NUVRTYOOSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2OCCc3ccccc32)CC[N@@H+]1C ZINC000927116490 648718347 /nfs/dbraw/zinc/71/83/47/648718347.db2.gz RBFWNWLOJVQWJD-UWWQBHOKSA-N 2 0 288.435 2.763 20 0 CFADRP CC1CC(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000929686092 649095746 /nfs/dbraw/zinc/09/57/46/649095746.db2.gz DRRUQMKNXHCCOM-UYSNPLJNSA-N 2 0 250.430 2.983 20 0 CFADRP COC/C(C)=C/CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929687556 649097052 /nfs/dbraw/zinc/09/70/52/649097052.db2.gz NAOJGSBMWSCBFF-UBYXTUIOSA-N 2 0 266.429 2.529 20 0 CFADRP COC[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000929718199 649105441 /nfs/dbraw/zinc/10/54/41/649105441.db2.gz CKPGZKBHNONRKF-SJORKVTESA-N 2 0 282.472 2.713 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](COC)C(C)C)C1 ZINC000929778470 649119030 /nfs/dbraw/zinc/11/90/30/649119030.db2.gz JWNXHZQLWUSRDI-HOTGVXAUSA-N 2 0 270.461 2.569 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)CCc2cccc(F)c2)CCN1C ZINC000929783713 649121381 /nfs/dbraw/zinc/12/13/81/649121381.db2.gz ZAXKXKLMNJDNQS-BBRMVZONSA-N 2 0 264.388 2.783 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCC(C)(F)F)CC[C@H]21 ZINC000929849319 649138928 /nfs/dbraw/zinc/13/89/28/649138928.db2.gz XFRUSFOEOXBORZ-CHWSQXEVSA-N 2 0 260.372 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](COC)C(C)C)[C@H](C)C1 ZINC000929998756 649163054 /nfs/dbraw/zinc/16/30/54/649163054.db2.gz GSBOUMOYQOFEJY-PMPSAXMXSA-N 2 0 270.461 2.567 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C[C@H](C)O1 ZINC000930576706 649278085 /nfs/dbraw/zinc/27/80/85/649278085.db2.gz LZIXOIUHHZRUFJ-HZMVEIRTSA-N 2 0 280.456 2.608 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000930752021 649320826 /nfs/dbraw/zinc/32/08/26/649320826.db2.gz QVZPIHUIOUEGDR-SJORKVTESA-N 2 0 293.499 2.525 20 0 CFADRP CN1C[C@@]2(C)C[NH+](CCCc3ccsc3)C[C@]2(C)C1 ZINC000931310634 649404724 /nfs/dbraw/zinc/40/47/24/649404724.db2.gz GQULWDHCEBLYKX-HOTGVXAUSA-N 2 0 278.465 2.954 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309643 649405089 /nfs/dbraw/zinc/40/50/89/649405089.db2.gz RVYIOFKDPZJLOQ-OWSLCNJRSA-N 2 0 294.483 2.855 20 0 CFADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931352994 649413827 /nfs/dbraw/zinc/41/38/27/649413827.db2.gz YNKTZRAEESPOFJ-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP CCCCc1nc(CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cs1 ZINC000931433305 649425683 /nfs/dbraw/zinc/42/56/83/649425683.db2.gz XBMCLFZEFCRMEI-UONOGXRCSA-N 2 0 293.480 2.869 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CCSC3CCCCC3)C[C@@H]2C1 ZINC000931439780 649427808 /nfs/dbraw/zinc/42/78/08/649427808.db2.gz ZYXUWWZTRKPFAL-CABCVRRESA-N 2 0 282.497 2.936 20 0 CFADRP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000931442248 649428664 /nfs/dbraw/zinc/42/86/64/649428664.db2.gz ZPXUNSYWQMHLPC-SJORKVTESA-N 2 0 258.409 2.687 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000931467576 649434751 /nfs/dbraw/zinc/43/47/51/649434751.db2.gz JZWROZZSSHNRMI-CABCVRRESA-N 2 0 250.430 2.840 20 0 CFADRP C[C@H]1CCC[C@@H](CC[NH+]2CCC(O)(C[NH+](C)C)CC2)C1 ZINC000931483622 649438783 /nfs/dbraw/zinc/43/87/83/649438783.db2.gz JRMRQILBLXLHDB-HOTGVXAUSA-N 2 0 282.472 2.591 20 0 CFADRP CCC[C@H](C)CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480106 649438899 /nfs/dbraw/zinc/43/88/99/649438899.db2.gz LXRSDNDEIRDEGN-HNNXBMFYSA-N 2 0 270.461 2.591 20 0 CFADRP Nc1cc[nH+]c2c1CN(CCOC1CCCCCC1)CC2 ZINC000931512744 649444740 /nfs/dbraw/zinc/44/47/40/649444740.db2.gz LSYGXRFQIMRMGZ-UHFFFAOYSA-N 2 0 289.423 2.761 20 0 CFADRP C[N@@H+]1CC[C@H]2CN(Cc3cnc(-c4ccccc4)o3)CC[C@H]21 ZINC000931546606 649451598 /nfs/dbraw/zinc/45/15/98/649451598.db2.gz NDAMGAMPDXERJQ-DOTOQJQBSA-N 2 0 297.402 2.868 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000931685141 649471363 /nfs/dbraw/zinc/47/13/63/649471363.db2.gz ZPOWKSUGFZCUEQ-MRXNPFEDSA-N 2 0 296.418 2.620 20 0 CFADRP COC[C@H](C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C(C)C ZINC000931684081 649471440 /nfs/dbraw/zinc/47/14/40/649471440.db2.gz NSBGPWIDSFUWFD-HOTGVXAUSA-N 2 0 291.439 2.511 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCSC(C)(C)C ZINC000931718061 649478264 /nfs/dbraw/zinc/47/82/64/649478264.db2.gz IRKJRTJYCBSKSK-QWHCGFSZSA-N 2 0 256.459 2.687 20 0 CFADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1ccc(Cl)cc1 ZINC000931718609 649478308 /nfs/dbraw/zinc/47/83/08/649478308.db2.gz AJDRKUXASHGUEX-ARFHVFGLSA-N 2 0 294.826 2.542 20 0 CFADRP COc1cccc(CCC[N@@H+]2[C@@H]3CC[C@H]2CN(C)CC3)c1 ZINC000931724790 649480269 /nfs/dbraw/zinc/48/02/69/649480269.db2.gz NCIHGCQKLABVSH-SJORKVTESA-N 2 0 288.435 2.796 20 0 CFADRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCOc1ccc(F)cc1 ZINC000931730289 649481177 /nfs/dbraw/zinc/48/11/77/649481177.db2.gz VBJHWVWOOXJYBY-JKSUJKDBSA-N 2 0 292.398 2.763 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCc2cccnc2)CC1 ZINC000931752465 649483771 /nfs/dbraw/zinc/48/37/71/649483771.db2.gz MMAJZJKBYZSWSQ-UHFFFAOYSA-N 2 0 287.451 2.965 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931932543 649514495 /nfs/dbraw/zinc/51/44/95/649514495.db2.gz VEERDJLEHNAQGO-RCCFBDPRSA-N 2 0 270.420 2.744 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC[C@H]3CCc4ccccc43)C[C@]2(C)C1 ZINC000933733876 649718579 /nfs/dbraw/zinc/71/85/79/649718579.db2.gz JQFQULYRUQBCHX-LMMKCTJWSA-N 2 0 284.447 2.990 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CCCCc3ccccc3)C[C@]2(C)C1 ZINC000933737881 649718667 /nfs/dbraw/zinc/71/86/67/649718667.db2.gz UMKYICAHYAMRAS-MSOLQXFVSA-N 2 0 272.436 2.893 20 0 CFADRP CCC[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000934180944 649757688 /nfs/dbraw/zinc/75/76/88/649757688.db2.gz YPTJVYMXKZLDAZ-DLBZAZTESA-N 2 0 278.440 2.604 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCCSC[C@@H]1C ZINC000934304783 649771012 /nfs/dbraw/zinc/77/10/12/649771012.db2.gz SXUADTVDADRNHP-ZDUSSCGKSA-N 2 0 267.442 2.799 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934336044 649775641 /nfs/dbraw/zinc/77/56/41/649775641.db2.gz XFQRPLXYICXGFV-GJZGRUSLSA-N 2 0 293.480 2.882 20 0 CFADRP Cc1cc2[nH]ccc2c(N2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC001165027937 721857224 /nfs/dbraw/zinc/85/72/24/721857224.db2.gz DDBIMCKXKUUFAG-UHFFFAOYSA-N 2 0 284.407 2.936 20 0 CFADRP Nc1cccc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165048317 721967796 /nfs/dbraw/zinc/96/77/96/721967796.db2.gz NUGYWLSSRRTOFR-AWEZNQCLSA-N 2 0 274.412 2.509 20 0 CFADRP Cc1cc2ccccc2c(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001155101916 782214496 /nfs/dbraw/zinc/21/44/96/782214496.db2.gz PDGXTSFWBCHWTG-DGCLKSJQSA-N 2 0 255.365 2.953 20 0 CFADRP CCC(=O)C(C)(C)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001208921877 769966305 /nfs/dbraw/zinc/96/63/05/769966305.db2.gz JXJVDUCPZBKEFC-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000723959908 770721901 /nfs/dbraw/zinc/72/19/01/770721901.db2.gz SWUNMMDRWJARGC-PRLABOORSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ncc(Cl)cc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC001139749519 776709269 /nfs/dbraw/zinc/70/92/69/776709269.db2.gz CVIDDXAPVRKGNI-UHFFFAOYSA-N 2 0 297.830 2.517 20 0 CFADRP CCOc1cc(C)ccc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925312 778611312 /nfs/dbraw/zinc/61/13/12/778611312.db2.gz HEBPLMQYXILIKU-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP CN1CCC[C@@H](C[N@H+](C)CCC(=O)c2ccccc2)C1 ZINC000705111927 769823815 /nfs/dbraw/zinc/82/38/15/769823815.db2.gz PRNGCVDTJWWESG-OAHLLOKOSA-N 2 0 274.408 2.533 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+](CCc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001208743751 769935574 /nfs/dbraw/zinc/93/55/74/769935574.db2.gz YMPOLKNRRODYJW-GASCZTMLSA-N 2 0 278.827 2.766 20 0 CFADRP C[N@H+]1CC=C(Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC001208844236 769945891 /nfs/dbraw/zinc/94/58/91/769945891.db2.gz PBXMRWLIPAVSKF-UHFFFAOYSA-N 2 0 285.435 2.956 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1C ZINC001206805210 769971988 /nfs/dbraw/zinc/97/19/88/769971988.db2.gz AUIOEPUPKNHMKJ-GOEBONIOSA-N 2 0 276.424 2.953 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)CCCC(C)(C)OC(C)=O ZINC001209159354 770007494 /nfs/dbraw/zinc/00/74/94/770007494.db2.gz QTGGEGBNZNDZNP-UHFFFAOYSA-N 2 0 286.460 2.772 20 0 CFADRP C[C@H]1C[C@@H]1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209420593 770069861 /nfs/dbraw/zinc/06/98/61/770069861.db2.gz FCRVYPNMVPGCTO-QWHCGFSZSA-N 2 0 254.393 2.541 20 0 CFADRP C[C@@H]1C[C@@H]1C[N@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209425163 770077658 /nfs/dbraw/zinc/07/76/58/770077658.db2.gz CZJHCNAOBBSMPK-ZIAGYGMSSA-N 2 0 250.430 2.981 20 0 CFADRP C[N@@H+]1CC[C@H](Nc2cc(OCc3ccccc3)ccn2)C1 ZINC001167270419 770194306 /nfs/dbraw/zinc/19/43/06/770194306.db2.gz USJRYVXKYRIMEW-HNNXBMFYSA-N 2 0 283.375 2.777 20 0 CFADRP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)C1 ZINC001167278888 770201107 /nfs/dbraw/zinc/20/11/07/770201107.db2.gz WJAGXEWLSBTACD-NSHDSACASA-N 2 0 295.308 2.792 20 0 CFADRP C[C@H]([NH3+])c1ccc(-n2ccc3cc(C[NH3+])cnc32)cc1 ZINC001167313007 770271901 /nfs/dbraw/zinc/27/19/01/770271901.db2.gz CWYFPJCIPWZTKZ-NSHDSACASA-N 2 0 266.348 2.504 20 0 CFADRP Cc1cc(F)cc(C)c1CN1CC[NH2+][C@H](C)CC1 ZINC001210518213 770303617 /nfs/dbraw/zinc/30/36/17/770303617.db2.gz CWFUCVFCVIKNMX-CYBMUJFWSA-N 2 0 250.361 2.626 20 0 CFADRP CCC[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C1CC[NH2+]CC1 ZINC000721445268 770434062 /nfs/dbraw/zinc/43/40/62/770434062.db2.gz DJWBUFCQRPMXIT-CHWSQXEVSA-N 2 0 294.361 2.560 20 0 CFADRP C[NH2+]Cc1cccc(Nc2cc[nH+]c(N(C)C)c2)c1 ZINC001211137649 770442491 /nfs/dbraw/zinc/44/24/91/770442491.db2.gz IZDATCGVXJSSHJ-UHFFFAOYSA-N 2 0 256.353 2.611 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000723623032 770623183 /nfs/dbraw/zinc/62/31/83/770623183.db2.gz YPWJPBXXLQNVQG-IXDOHACOSA-N 2 0 280.456 2.657 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000723637715 770631716 /nfs/dbraw/zinc/63/17/16/770631716.db2.gz SVYVDEAILPOVPQ-BZUAXINKSA-N 2 0 250.430 2.935 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCC2CCCCC2)CCC1(F)F ZINC000403270650 770644907 /nfs/dbraw/zinc/64/49/07/770644907.db2.gz JRRXSQYGNOWNIX-ZDUSSCGKSA-N 2 0 260.372 2.873 20 0 CFADRP CC(C)(C)c1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000723672081 770646956 /nfs/dbraw/zinc/64/69/56/770646956.db2.gz JDUYFXPXIUALLC-NSHDSACASA-N 2 0 267.442 2.611 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723689937 770649341 /nfs/dbraw/zinc/64/93/41/770649341.db2.gz KDOWUOFXTQNIBC-WFASDCNBSA-N 2 0 250.361 2.948 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000723680684 770649517 /nfs/dbraw/zinc/64/95/17/770649517.db2.gz ZMORSXBPRSRDRX-NSHDSACASA-N 2 0 277.393 2.574 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691545 770650550 /nfs/dbraw/zinc/65/05/50/770650550.db2.gz PVVPBKMRZGGQJJ-QWRGUYRKSA-N 2 0 254.324 2.697 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000723702201 770653482 /nfs/dbraw/zinc/65/34/82/770653482.db2.gz ZJGHNUWKHIBRLV-LLVKDONJSA-N 2 0 288.313 2.756 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000723701843 770653492 /nfs/dbraw/zinc/65/34/92/770653492.db2.gz UTTCYPIUOMICGN-LLVKDONJSA-N 2 0 288.313 2.756 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000723845697 770682393 /nfs/dbraw/zinc/68/23/93/770682393.db2.gz KRVMMULJWIUURI-CFVMTHIKSA-N 2 0 261.413 2.504 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@H]1CC[NH3+] ZINC000723902421 770710407 /nfs/dbraw/zinc/71/04/07/770710407.db2.gz NVTHNWKMTULRFL-CZUORRHYSA-N 2 0 269.392 2.652 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000723977980 770731661 /nfs/dbraw/zinc/73/16/61/770731661.db2.gz MPEBTVDDZSTQCP-TWMKSMIVSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723978447 770732101 /nfs/dbraw/zinc/73/21/01/770732101.db2.gz GZHKMNBXUUNFDL-DOTOQJQBSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)(C)c1ncc(CN2CC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000262022210 770821920 /nfs/dbraw/zinc/82/19/20/770821920.db2.gz NGKFDWYRYWWMOG-OAHLLOKOSA-N 2 0 279.453 2.626 20 0 CFADRP C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)C1CC[NH+](C)CC1 ZINC000724419355 770870613 /nfs/dbraw/zinc/87/06/13/770870613.db2.gz ODQAHQVKXONSCI-GFCCVEGCSA-N 2 0 279.428 2.792 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000690738816 770882881 /nfs/dbraw/zinc/88/28/81/770882881.db2.gz IGDZWIZGTQYQQM-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000690741511 770939079 /nfs/dbraw/zinc/93/90/79/770939079.db2.gz WACURPXXQYUZNJ-LLVKDONJSA-N 2 0 283.213 2.620 20 0 CFADRP [NH3+]Cc1cccn1-c1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001167595555 770959125 /nfs/dbraw/zinc/95/91/25/770959125.db2.gz DRBULFNSBVWQEV-UHFFFAOYSA-N 2 0 262.316 2.966 20 0 CFADRP [NH3+]Cc1cccn1-c1ccc(CO[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001167596071 770960499 /nfs/dbraw/zinc/96/04/99/770960499.db2.gz UGDCTTAVKZQPGU-QZTJIDSGSA-N 2 0 299.418 2.723 20 0 CFADRP CCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167636576 773204422 /nfs/dbraw/zinc/20/44/22/773204422.db2.gz VNZSFZGDUNARSN-MRXNPFEDSA-N 2 0 297.487 2.535 20 0 CFADRP C[NH+](C)CC[C@@H](O[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001224131670 775108054 /nfs/dbraw/zinc/10/80/54/775108054.db2.gz SEZIQZNOBLEJAL-IAGOWNOFSA-N 2 0 276.424 2.790 20 0 CFADRP FC1(C2CC2)CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000724801643 775109574 /nfs/dbraw/zinc/10/95/74/775109574.db2.gz DFNDINVWISPRMQ-ZDUSSCGKSA-N 2 0 254.393 2.590 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(F)(C3CC3)CC2)CC[NH2+]1 ZINC000724841598 775146130 /nfs/dbraw/zinc/14/61/30/775146130.db2.gz UVRYFHKRASFBAI-CHWSQXEVSA-N 2 0 254.393 2.589 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405311545 775201389 /nfs/dbraw/zinc/20/13/89/775201389.db2.gz PCEAYGAVAUSXED-KGYLQXTDSA-N 2 0 250.411 2.539 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1OCCCCC1CC[NH2+]CC1 ZINC001217786274 775290005 /nfs/dbraw/zinc/29/00/05/775290005.db2.gz DEVFDSJGHVBYIJ-GOEBONIOSA-N 2 0 268.445 2.561 20 0 CFADRP CC[NH+](CC)C[C@@H](C)OCCC[NH+]1CCCCC1 ZINC001224855077 775291545 /nfs/dbraw/zinc/29/15/45/775291545.db2.gz LKWNEHSCRJNLDP-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP C(COC1CC[NH+](C2CC2)CC1)C[NH+]1CCCCC1 ZINC001224860900 775292373 /nfs/dbraw/zinc/29/23/73/775292373.db2.gz QRBJXSXHHYZVTE-UHFFFAOYSA-N 2 0 266.429 2.506 20 0 CFADRP C[NH+](C)CCCCO[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001224991404 775326318 /nfs/dbraw/zinc/32/63/18/775326318.db2.gz RSGDNEFTCOZTNZ-INIZCTEOSA-N 2 0 287.407 2.663 20 0 CFADRP C[NH2+][C@@]12CC[C@@](Nc3ccnc(OC)c3)(C1)CCC2 ZINC001277073162 775596452 /nfs/dbraw/zinc/59/64/52/775596452.db2.gz IJFYYIGORIBGPQ-LSDHHAIUSA-N 2 0 261.369 2.567 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H]2CCC[C@H](SC)C2)C1 ZINC000328353846 775740675 /nfs/dbraw/zinc/74/06/75/775740675.db2.gz OJARUSUCCVFORP-IHRRRGAJSA-N 2 0 256.459 2.735 20 0 CFADRP CSc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000311230418 775795736 /nfs/dbraw/zinc/79/57/36/775795736.db2.gz QXCGJYVPUOKVIM-AWEZNQCLSA-N 2 0 264.438 2.969 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cc[nH+]c(N)c1 ZINC001226657429 775907192 /nfs/dbraw/zinc/90/71/92/775907192.db2.gz PQTJOCLTFSSFJA-RHSMWYFYSA-N 2 0 297.402 2.953 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000695821227 776030833 /nfs/dbraw/zinc/03/08/33/776030833.db2.gz FHCIAYDJQLVTDV-APHBMKBZSA-N 2 0 250.430 2.933 20 0 CFADRP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227038563 776067362 /nfs/dbraw/zinc/06/73/62/776067362.db2.gz GNQKEROUUJDVLW-BZUAXINKSA-N 2 0 297.487 2.534 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2c(n1)NCCO2 ZINC001167753984 776088431 /nfs/dbraw/zinc/08/84/31/776088431.db2.gz NYAHEDUYKNAAGQ-CYBMUJFWSA-N 2 0 290.411 2.562 20 0 CFADRP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000709466908 776140555 /nfs/dbraw/zinc/14/05/55/776140555.db2.gz STRCWJUYKRAYRG-FZMZJTMJSA-N 2 0 252.789 2.912 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222422179 776140803 /nfs/dbraw/zinc/14/08/03/776140803.db2.gz SNRTYVGSPDRZOD-QGZVFWFLSA-N 2 0 279.472 2.517 20 0 CFADRP CC(C)Oc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)cc1 ZINC001222533422 776167428 /nfs/dbraw/zinc/16/74/28/776167428.db2.gz YLJHVEMQXSEVMX-UHFFFAOYSA-N 2 0 280.387 2.737 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925700780 776168615 /nfs/dbraw/zinc/16/86/15/776168615.db2.gz WIJYQBLKLVIERI-ARFHVFGLSA-N 2 0 271.408 2.506 20 0 CFADRP c1cc(N2CCC([NH2+][C@H]3CC34CCC4)CC2)cc[nH+]1 ZINC000721233031 776180722 /nfs/dbraw/zinc/18/07/22/776180722.db2.gz GYEIDBAZCFNJRQ-HNNXBMFYSA-N 2 0 257.381 2.583 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c2ccccc2n1 ZINC000125527705 776335773 /nfs/dbraw/zinc/33/57/73/776335773.db2.gz HTKKULNUJWTZAT-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000423292331 776368640 /nfs/dbraw/zinc/36/86/40/776368640.db2.gz MNQUXVGKQCBFDP-IAQYHMDHSA-N 2 0 270.380 2.597 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCCC12COC2 ZINC001167825169 776545362 /nfs/dbraw/zinc/54/53/62/776545362.db2.gz GQKSRTRIYXFXTA-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)CCN1CCCC1 ZINC001167825565 776546557 /nfs/dbraw/zinc/54/65/57/776546557.db2.gz KBUDCPQZNHLZST-QGZVFWFLSA-N 2 0 283.504 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CCC(=O)O2)CC1 ZINC001167825841 776546578 /nfs/dbraw/zinc/54/65/78/776546578.db2.gz KZTVRAXWYOMGEZ-OAHLLOKOSA-N 2 0 296.455 2.669 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(C1)CCOCC2 ZINC001167825881 776546984 /nfs/dbraw/zinc/54/69/84/776546984.db2.gz LNGQMYTZXISXHJ-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCN(C(C)(C)C)CC1 ZINC001167826952 776548880 /nfs/dbraw/zinc/54/88/80/776548880.db2.gz SHYLXVTUJPLECQ-MRXNPFEDSA-N 2 0 283.504 2.913 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001167837448 776588554 /nfs/dbraw/zinc/58/85/54/776588554.db2.gz KNTYJZCZQLFULV-GVDBMIGSSA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001167837449 776589283 /nfs/dbraw/zinc/58/92/83/776589283.db2.gz KNTYJZCZQLFULV-ULQDDVLXSA-N 2 0 281.488 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1C(C)=O ZINC001167838052 776589525 /nfs/dbraw/zinc/58/95/25/776589525.db2.gz PDCBTHHHJMMXAW-HOCLYGCPSA-N 2 0 268.445 2.940 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001167839499 776591036 /nfs/dbraw/zinc/59/10/36/776591036.db2.gz YKXNRYYCEGEZIZ-HZPDHXFCSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1ccc(NCC[NH+]2CCSCC2)c(C[NH+](C)C)c1 ZINC001167839952 776593390 /nfs/dbraw/zinc/59/33/90/776593390.db2.gz WZMRPJBJQWNYBY-UHFFFAOYSA-N 2 0 293.480 2.517 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001167841738 776607958 /nfs/dbraw/zinc/60/79/58/776607958.db2.gz PYRHUIGAVUVQHP-INIZCTEOSA-N 3 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001167842461 776612889 /nfs/dbraw/zinc/61/28/89/776612889.db2.gz XWFAPXNHYKHIPJ-DLBZAZTESA-N 3 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001167842834 776614775 /nfs/dbraw/zinc/61/47/75/776614775.db2.gz ZDPMOMIWXUMQJW-NVXWUHKLSA-N 2 0 296.455 2.669 20 0 CFADRP C[N@@H+]1CCc2cc(O[C@@H]3CCC[NH+](C)CC3)ccc2C1 ZINC001228937263 776663310 /nfs/dbraw/zinc/66/33/10/776663310.db2.gz XIMGAXKOKQTOOQ-MRXNPFEDSA-N 2 0 274.408 2.538 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3c(c1)CC[NH+](C)C3)C2 ZINC001228937049 776663595 /nfs/dbraw/zinc/66/35/95/776663595.db2.gz UNSHZNJNRODDAY-VQFNDLOPSA-N 2 0 286.419 2.679 20 0 CFADRP Clc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000692914203 776669536 /nfs/dbraw/zinc/66/95/36/776669536.db2.gz ZGABYQMCAIGNSA-HNNXBMFYSA-N 2 0 293.842 2.947 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(c1)[nH]c1ccccc12 ZINC001167881640 776714986 /nfs/dbraw/zinc/71/49/86/776714986.db2.gz JVYDZEGGSQPYQZ-UHFFFAOYSA-N 2 0 295.390 2.996 20 0 CFADRP [NH2+]=C(NCCCC[NH3+])Nc1cc(F)c(F)c(C(F)F)c1 ZINC001167884087 776717581 /nfs/dbraw/zinc/71/75/81/776717581.db2.gz PZGOYVJJICRIMP-UHFFFAOYSA-N 2 0 292.280 2.578 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@@](C)(C[NH3+])C1 ZINC001167905972 776793250 /nfs/dbraw/zinc/79/32/50/776793250.db2.gz QEGQZKZBBHTQOL-HCZIRCDUSA-N 2 0 250.430 2.918 20 0 CFADRP C[N@@H+]1CC[C@@H](Oc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001229451509 776817369 /nfs/dbraw/zinc/81/73/69/776817369.db2.gz UCFZHQOAVXBLHA-QGZVFWFLSA-N 2 0 274.408 2.755 20 0 CFADRP C[NH+](C)Cc1ccccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001229699977 776875197 /nfs/dbraw/zinc/87/51/97/776875197.db2.gz UBYVDQZOGIQQHX-HNNXBMFYSA-N 2 0 262.397 2.611 20 0 CFADRP C[NH+](C)Cc1ccccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229702961 776876804 /nfs/dbraw/zinc/87/68/04/776876804.db2.gz WYBNQQHRLSBSOO-VQFNDLOPSA-N 2 0 288.435 2.857 20 0 CFADRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC001167918557 776917167 /nfs/dbraw/zinc/91/71/67/776917167.db2.gz JZVSOJLHFSAGOQ-MIFYACCESA-N 2 0 286.419 2.744 20 0 CFADRP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167918885 776917829 /nfs/dbraw/zinc/91/78/29/776917829.db2.gz NHWOIHMNTZKCCX-BJWYYQGGSA-N 2 0 270.420 2.821 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709968680 776948400 /nfs/dbraw/zinc/94/84/00/776948400.db2.gz BJZOKQIQKVPDHN-PBHICJAKSA-N 2 0 276.399 2.832 20 0 CFADRP C[NH+]1CCC(C2CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC001167940235 776989132 /nfs/dbraw/zinc/98/91/32/776989132.db2.gz PUTYCUNMQMAPCG-FVQHAEBGSA-N 2 0 262.441 2.839 20 0 CFADRP Cc1c[nH+]ccc1N([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH2+]CC1 ZINC001167947541 777150075 /nfs/dbraw/zinc/15/00/75/777150075.db2.gz BBXPYTKAPUZFHZ-MIFYACCESA-N 2 0 271.408 2.747 20 0 CFADRP CC1(C)CC[C@@H]([N@@H+]2Cc3ccccc3C[C@@H]2CN)C1 ZINC000721640583 777225125 /nfs/dbraw/zinc/22/51/25/777225125.db2.gz KXSPXQFSDTWLMP-HZPDHXFCSA-N 2 0 258.409 2.951 20 0 CFADRP C[N@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167965301 777403159 /nfs/dbraw/zinc/40/31/59/777403159.db2.gz AAZJYZNEBHGOFD-DDEIOVDASA-N 3 0 291.483 2.594 20 0 CFADRP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCOCC1 ZINC001167965692 777406217 /nfs/dbraw/zinc/40/62/17/777406217.db2.gz LBBZILWHGZFORZ-ALOPSCKCSA-N 2 0 292.467 2.798 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1C[NH+]1CCC(c2ncccn2)CC1 ZINC001232013968 777412226 /nfs/dbraw/zinc/41/22/26/777412226.db2.gz ITGBKRSXHHBLER-UHFFFAOYSA-N 2 0 293.374 2.733 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC001232014327 777413279 /nfs/dbraw/zinc/41/32/79/777413279.db2.gz NRDHJGFKJXMUCV-CQSZACIVSA-N 2 0 278.359 2.947 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017738 777414912 /nfs/dbraw/zinc/41/49/12/777414912.db2.gz VSPZCRDHUGOTRA-UHFFFAOYSA-N 2 0 274.412 2.727 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC001232149280 777453094 /nfs/dbraw/zinc/45/30/94/777453094.db2.gz KOBUDGGCEJQTNH-QGZVFWFLSA-N 2 0 292.398 2.642 20 0 CFADRP C[C@H]([NH3+])c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001167990902 777520380 /nfs/dbraw/zinc/52/03/80/777520380.db2.gz BFCNXXABEWNLRQ-JTQLQIEISA-N 2 0 272.327 2.877 20 0 CFADRP Cc1nc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)c[nH]1 ZINC001232461621 777567977 /nfs/dbraw/zinc/56/79/77/777567977.db2.gz BFJHZPOSUYTSOR-UHFFFAOYSA-N 2 0 298.434 2.815 20 0 CFADRP CN(Cc1c(Cl)ccnc1F)CC1CC[NH+](C)CC1 ZINC001232616936 777617748 /nfs/dbraw/zinc/61/77/48/777617748.db2.gz LKXJAHWJSKDTCJ-UHFFFAOYSA-N 2 0 285.794 2.648 20 0 CFADRP c1c[nH]c(C[N@H+]2CC[C@H]3CN(c4cc[nH+]cc4)C[C@H]3CC2)c1 ZINC001277693756 777628100 /nfs/dbraw/zinc/62/81/00/777628100.db2.gz LCRUIMSROGQAAG-IYBDPMFKSA-N 2 0 296.418 2.758 20 0 CFADRP FC(F)(F)CCC[N@@H+]1CCC2(CN(c3cc[nH+]cc3)C2)C1 ZINC001277695180 777631427 /nfs/dbraw/zinc/63/14/27/777631427.db2.gz WUIRVEOYSQZFEM-UHFFFAOYSA-N 2 0 299.340 2.936 20 0 CFADRP Cc1c(C[N@H+](C)CC2CC[NH+](C)CC2)ccnc1Cl ZINC001232752487 777658332 /nfs/dbraw/zinc/65/83/32/777658332.db2.gz JJPUMMOJIZHODM-UHFFFAOYSA-N 2 0 281.831 2.817 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc[nH]c(=O)c1 ZINC000340451594 777659751 /nfs/dbraw/zinc/65/97/51/777659751.db2.gz ZEIDEUHXFSEIBP-ZDUSSCGKSA-N 2 0 289.423 2.845 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc4ncoc4c3)C2)CC1 ZINC001232945257 777732832 /nfs/dbraw/zinc/73/28/32/777732832.db2.gz MNHBNGPYEKVTKA-UHFFFAOYSA-N 2 0 285.391 2.746 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@@H+](C2CC(OC(C)(C)C)C2)C1 ZINC000341665871 777736257 /nfs/dbraw/zinc/73/62/57/777736257.db2.gz MXCMSKUORWMOAT-FHERZECASA-N 2 0 282.472 2.996 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001168068390 777918551 /nfs/dbraw/zinc/91/85/51/777918551.db2.gz YHCDHAJWZYEYSP-MAUKXSAKSA-N 2 0 288.435 2.940 20 0 CFADRP COCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]C1 ZINC000697016291 777979826 /nfs/dbraw/zinc/97/98/26/777979826.db2.gz MZWXEOZZLMCSLX-QGZVFWFLSA-N 2 0 276.424 2.525 20 0 CFADRP CC(C)C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC001168092111 778020536 /nfs/dbraw/zinc/02/05/36/778020536.db2.gz FCAXBMMHQXGAGG-GDBMZVCRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCC3)CC2)CCO1 ZINC001168094087 778029242 /nfs/dbraw/zinc/02/92/42/778029242.db2.gz RQOASJSUQZBWLZ-WMLDXEAASA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H](C)[N@@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1 ZINC001277808254 778078838 /nfs/dbraw/zinc/07/88/38/778078838.db2.gz UXJXHXDHBPJWOV-RDJZCZTQSA-N 2 0 280.456 2.894 20 0 CFADRP CC[C@@H](C)[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001277808590 778081604 /nfs/dbraw/zinc/08/16/04/778081604.db2.gz ZQQGWNFTMUSAGF-BMFZPTHFSA-N 2 0 276.428 2.733 20 0 CFADRP CC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000697177107 778111035 /nfs/dbraw/zinc/11/10/35/778111035.db2.gz JYVKPGHHMUBVRR-VXGBXAGGSA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)CCO1 ZINC001168137082 778136842 /nfs/dbraw/zinc/13/68/42/778136842.db2.gz NAOCJXYZTAADMA-TWMKSMIVSA-N 2 0 280.456 2.893 20 0 CFADRP COc1cc(C[NH+]2CCC(F)CC2)ccc1-n1ccnc1 ZINC001234032607 778147436 /nfs/dbraw/zinc/14/74/36/778147436.db2.gz KLMIRHWIDVOVIM-UHFFFAOYSA-N 2 0 289.354 2.815 20 0 CFADRP COc1cc(C[NH+]2CCCCC2)ccc1-n1ccnc1 ZINC001234032961 778147472 /nfs/dbraw/zinc/14/74/72/778147472.db2.gz OJEGQKPZJRRZJZ-UHFFFAOYSA-N 2 0 271.364 2.867 20 0 CFADRP Cc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@H]1CCO[C@H](C)C1 ZINC001168145531 778158722 /nfs/dbraw/zinc/15/87/22/778158722.db2.gz SXLNATWJNDWRRO-ZBFHGGJFSA-N 2 0 289.423 2.516 20 0 CFADRP C[N@@H+]1CCc2c(cccc2O[C@H]2CCC[NH+](C)CC2)C1 ZINC001234419490 778222188 /nfs/dbraw/zinc/22/21/88/778222188.db2.gz CGDCWAJGVCQMEG-HNNXBMFYSA-N 2 0 274.408 2.538 20 0 CFADRP CC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](C3CCCC3)C2)CC1 ZINC001277886960 778299386 /nfs/dbraw/zinc/29/93/86/778299386.db2.gz AIYOYXMPVCRDKY-AWEZNQCLSA-N 2 0 278.440 2.694 20 0 CFADRP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277895757 778303089 /nfs/dbraw/zinc/30/30/89/778303089.db2.gz CMUYOEHEBJFSJW-DLBZAZTESA-N 2 0 296.455 2.574 20 0 CFADRP C[N@@H+](Cc1cc(Cl)ccc1N)CC1CC[NH+](C)CC1 ZINC000093632159 778334937 /nfs/dbraw/zinc/33/49/37/778334937.db2.gz QAEIQBGTUOLIKS-UHFFFAOYSA-N 2 0 281.831 2.696 20 0 CFADRP Cc1cccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC001234992832 778346550 /nfs/dbraw/zinc/34/65/50/778346550.db2.gz MEHZHZUDGREKNI-MRXNPFEDSA-N 2 0 262.372 2.710 20 0 CFADRP CCOc1ccc(C)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234992593 778347078 /nfs/dbraw/zinc/34/70/78/778347078.db2.gz LEQDBHYIMSGOLZ-SFHVURJKSA-N 2 0 288.435 2.969 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)NCCC2 ZINC001234998705 778348086 /nfs/dbraw/zinc/34/80/86/778348086.db2.gz JBKLAAZDWFFDPM-GOSISDBHSA-N 2 0 285.435 2.620 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CCCN2 ZINC001234997723 778348342 /nfs/dbraw/zinc/34/83/42/778348342.db2.gz FAHPPWBRXOODPD-SFHVURJKSA-N 2 0 285.435 2.620 20 0 CFADRP CC/C=C\CCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054358 778367019 /nfs/dbraw/zinc/36/70/19/778367019.db2.gz WRYRKKCCRLEIRH-CWIOURORSA-N 2 0 279.472 2.540 20 0 CFADRP C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235087036 778375218 /nfs/dbraw/zinc/37/52/18/778375218.db2.gz UODXJEOXVRPIJL-ZBFHGGJFSA-N 2 0 270.420 2.779 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(N3CCCC3)c1)CC2 ZINC001235098601 778379498 /nfs/dbraw/zinc/37/94/98/778379498.db2.gz MOJLPBQULFZSCE-UHFFFAOYSA-N 2 0 299.462 2.814 20 0 CFADRP c1cc(C[N@@H+]2CCC23CC[NH2+]CC3)c2c(c1)CCCC2 ZINC001235101602 778380690 /nfs/dbraw/zinc/38/06/90/778380690.db2.gz FHGYQVWKBRMORV-UHFFFAOYSA-N 2 0 270.420 2.893 20 0 CFADRP c1ccc2c(c1)NCC21CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235140481 778394755 /nfs/dbraw/zinc/39/47/55/778394755.db2.gz OUIDBTVPFJOCQP-MRXNPFEDSA-N 2 0 299.462 2.978 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC3(CC[NH2+]CC3)CC2)o1 ZINC001235134817 778395873 /nfs/dbraw/zinc/39/58/73/778395873.db2.gz HMDACTZFMXWHBA-UHFFFAOYSA-N 2 0 276.424 2.986 20 0 CFADRP Nc1cccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235156207 778398480 /nfs/dbraw/zinc/39/84/80/778398480.db2.gz FTTJHWHTWCWQIK-QGZVFWFLSA-N 2 0 273.424 2.623 20 0 CFADRP Oc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235157859 778399635 /nfs/dbraw/zinc/39/96/35/778399635.db2.gz SHYAHKFSAORZLS-QGZVFWFLSA-N 2 0 292.398 2.885 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC001235186238 778405831 /nfs/dbraw/zinc/40/58/31/778405831.db2.gz FYFXRKDSWLZFPG-CABCVRRESA-N 2 0 278.827 2.814 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235187149 778406461 /nfs/dbraw/zinc/40/64/61/778406461.db2.gz SARVJQVWFGQORJ-XHSDSOJGSA-N 2 0 250.430 2.910 20 0 CFADRP Clc1cccc(CCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001235192873 778409640 /nfs/dbraw/zinc/40/96/40/778409640.db2.gz FYFXRKDSWLZFPG-HUUCEWRRSA-N 2 0 278.827 2.814 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC(C)(C)C ZINC001235194611 778410426 /nfs/dbraw/zinc/41/04/26/778410426.db2.gz ZJXBPSPTVCMQHH-RRFJBIMHSA-N 2 0 252.446 2.990 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235197718 778410465 /nfs/dbraw/zinc/41/04/65/778410465.db2.gz IBNNUJVAJAURFP-QZTJIDSGSA-N 2 0 270.420 2.995 20 0 CFADRP CCOC(CCC[NH2+]C1CCC([NH+](C)C)CC1)OCC ZINC001168294999 778410560 /nfs/dbraw/zinc/41/05/60/778410560.db2.gz NGBLRYSSGMJXKJ-UHFFFAOYSA-N 2 0 286.460 2.628 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CCOc2ccc(F)cc2)CC1 ZINC001168295045 778410791 /nfs/dbraw/zinc/41/07/91/778410791.db2.gz RHEYIVMPJKZLME-UHFFFAOYSA-N 2 0 280.387 2.667 20 0 CFADRP CCCCN(CC)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294960 778410801 /nfs/dbraw/zinc/41/08/01/778410801.db2.gz KSNGOUQTVQKNPG-UHFFFAOYSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1cccn2cc(C[NH2+]C3CCC([NH+](C)C)CC3)nc12 ZINC001168298333 778412059 /nfs/dbraw/zinc/41/20/59/778412059.db2.gz NLLYHSOAZAQIGR-UHFFFAOYSA-N 2 0 286.423 2.605 20 0 CFADRP C[NH+](C)C1CCC(n2nc(C[NH3+])c3ccccc32)CC1 ZINC001168298026 778413343 /nfs/dbraw/zinc/41/33/43/778413343.db2.gz XQJVZUVXJDDPIS-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC(C)(C)c2ncccc2F)CC1 ZINC001168305838 778419679 /nfs/dbraw/zinc/41/96/79/778419679.db2.gz ODLFRHWKKKDMDI-UHFFFAOYSA-N 2 0 293.430 2.961 20 0 CFADRP Cc1cc2c(cn1)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CC2 ZINC001168306035 778420073 /nfs/dbraw/zinc/42/00/73/778420073.db2.gz YBDVWPNDJVWMML-DQPZFDDXSA-N 2 0 273.424 2.840 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@@H]3C1)C[NH2+]CC2 ZINC001235226083 778421867 /nfs/dbraw/zinc/42/18/67/778421867.db2.gz YCJRWRUHFIBTRI-DOTOQJQBSA-N 2 0 270.420 2.954 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)nc1 ZINC001235227284 778421896 /nfs/dbraw/zinc/42/18/96/778421896.db2.gz HDKMJYVCZIBBCH-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP CCCn1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cn1 ZINC001235226313 778422166 /nfs/dbraw/zinc/42/21/66/778422166.db2.gz BWSINHLTHGASJO-KRWDZBQOSA-N 2 0 290.455 2.647 20 0 CFADRP Cc1ncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)s1 ZINC001235226861 778422176 /nfs/dbraw/zinc/42/21/76/778422176.db2.gz AUHFCUFQDGEWTG-OAHLLOKOSA-N 2 0 279.453 2.806 20 0 CFADRP Cc1ccncc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235229164 778423103 /nfs/dbraw/zinc/42/31/03/778423103.db2.gz OOJUTLXVIXINMG-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP C[NH+]1CCC(CC[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233441 778423816 /nfs/dbraw/zinc/42/38/16/778423816.db2.gz QDAKHISMFZMRIC-SFHVURJKSA-N 3 0 293.499 2.572 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)nc1 ZINC001235232216 778423963 /nfs/dbraw/zinc/42/39/63/778423963.db2.gz WEWFREPTKHNWJL-MRXNPFEDSA-N 2 0 277.387 2.575 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235232580 778424089 /nfs/dbraw/zinc/42/40/89/778424089.db2.gz YRFVVNWSNXAXNX-KRWDZBQOSA-N 2 0 273.424 2.744 20 0 CFADRP Fc1cnccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235232675 778424277 /nfs/dbraw/zinc/42/42/77/778424277.db2.gz ZMMKHGYTTNZIFX-MRXNPFEDSA-N 2 0 277.387 2.575 20 0 CFADRP CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312275 778424383 /nfs/dbraw/zinc/42/43/83/778424383.db2.gz NYZQWGLCLAHQJL-SSHXOBKSSA-N 2 0 296.455 2.571 20 0 CFADRP Cc1nc(F)ccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236296 778425556 /nfs/dbraw/zinc/42/55/56/778425556.db2.gz DRTURJDSHGKZLN-MRXNPFEDSA-N 2 0 291.414 2.883 20 0 CFADRP C(C1CCSCC1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235234494 778425630 /nfs/dbraw/zinc/42/56/30/778425630.db2.gz YWSIMPRLJVRYCS-INIZCTEOSA-N 2 0 282.497 2.984 20 0 CFADRP c1c2ccncc2[nH]c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235238003 778426198 /nfs/dbraw/zinc/42/61/98/778426198.db2.gz GCYIBQUZPNXMKA-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP c1[nH]nc2cc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)ccc12 ZINC001235243302 778429686 /nfs/dbraw/zinc/42/96/86/778429686.db2.gz WWHPLXXWDKBVCG-QGZVFWFLSA-N 2 0 298.434 2.917 20 0 CFADRP CCOc1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1CC ZINC001235246148 778430300 /nfs/dbraw/zinc/43/03/00/778430300.db2.gz UXKYDEFUOMGCKX-SJLPKXTDSA-N 2 0 288.435 2.961 20 0 CFADRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(O)cc3ccccc31)C2 ZINC001235247223 778430493 /nfs/dbraw/zinc/43/04/93/778430493.db2.gz ASEHCIGDWUMQGQ-CRAIPNDOSA-N 2 0 282.387 2.859 20 0 CFADRP c1ccc(C2(C[N@@H+]3C[C@H]4C[NH2+]CC[C@H]43)CCCC2)cc1 ZINC001235254146 778432876 /nfs/dbraw/zinc/43/28/76/778432876.db2.gz BBELPQYFPXHVTP-NVXWUHKLSA-N 2 0 270.420 2.792 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001168323736 778433141 /nfs/dbraw/zinc/43/31/41/778433141.db2.gz BPVFSOFCTTWFHI-HIFPTAJRSA-N 2 0 260.372 2.836 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CC3(C2)CC(F)(F)CS3)CC1 ZINC001168326998 778434509 /nfs/dbraw/zinc/43/45/09/778434509.db2.gz HYWBXIDHUUDLBJ-UHFFFAOYSA-N 2 0 290.423 2.686 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3cccc4c5ccccc5oc43)C[C@@H]12 ZINC001235284104 778443030 /nfs/dbraw/zinc/44/30/30/778443030.db2.gz JRSFHLVFSGBPDS-SCAQPMJSSA-N 2 0 278.355 2.975 20 0 CFADRP Fc1ccc(CC[NH+]2CCC(C3C[NH2+]C3)CC2)c(Cl)c1 ZINC001235334191 778458086 /nfs/dbraw/zinc/45/80/86/778458086.db2.gz BBSXWAWZJYJJKE-UHFFFAOYSA-N 2 0 296.817 2.953 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1C ZINC001235335714 778459099 /nfs/dbraw/zinc/45/90/99/778459099.db2.gz PABCCPWCDSHMMZ-UHFFFAOYSA-N 2 0 258.409 2.735 20 0 CFADRP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC(C3C[NH2+]C3)CC2)CC1 ZINC001235336215 778459255 /nfs/dbraw/zinc/45/92/55/778459255.db2.gz UHZYNHNHPGSUQG-GDBMZVCRSA-N 2 0 262.441 2.910 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340097 778460172 /nfs/dbraw/zinc/46/01/72/778460172.db2.gz HKZBBORMJHGDIV-ZDUSSCGKSA-N 2 0 278.827 2.998 20 0 CFADRP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339722 778460306 /nfs/dbraw/zinc/46/03/06/778460306.db2.gz YROUMMUYWHWGHY-LSDHHAIUSA-N 2 0 250.430 2.910 20 0 CFADRP Fc1cccc(CCC[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235399400 778475404 /nfs/dbraw/zinc/47/54/04/778475404.db2.gz AZXPEDKQBCXSPN-DLBZAZTESA-N 2 0 294.389 2.782 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235400553 778475505 /nfs/dbraw/zinc/47/55/05/778475505.db2.gz KJBUMYAKKWLKCA-QZTJIDSGSA-N 2 0 288.410 2.699 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235400704 778476648 /nfs/dbraw/zinc/47/66/48/778476648.db2.gz DOMKLVVKDHYIOZ-SJORKVTESA-N 2 0 276.399 2.773 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235405425 778478786 /nfs/dbraw/zinc/47/87/86/778478786.db2.gz OSPLGMTWTFQPDI-DLBZAZTESA-N 2 0 276.399 2.827 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1NCC2 ZINC001235421465 778485334 /nfs/dbraw/zinc/48/53/34/778485334.db2.gz CANOUAHGWSZHIQ-ROUUACIJSA-N 2 0 299.462 2.866 20 0 CFADRP CNc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001235420691 778485929 /nfs/dbraw/zinc/48/59/29/778485929.db2.gz AIVCOTMHHHAKKV-IRXDYDNUSA-N 2 0 287.451 2.940 20 0 CFADRP CCc1cc(C[N@H+](C)CC2CC[NH2+]CC2)cc(CC)c1O ZINC001235433560 778488114 /nfs/dbraw/zinc/48/81/14/778488114.db2.gz MLJCCBYQNYITQH-UHFFFAOYSA-N 2 0 290.451 2.948 20 0 CFADRP COc1cc(C)c(C[N@H+](C)CC2CC[NH2+]CC2)cc1C ZINC001235433828 778488789 /nfs/dbraw/zinc/48/87/89/778488789.db2.gz SDMSZZGDSNOVDN-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP Cc1ccc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)nc1 ZINC001168364829 778527883 /nfs/dbraw/zinc/52/78/83/778527883.db2.gz IPJJVOZYGCEZDT-UHFFFAOYSA-N 2 0 299.462 2.886 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1CC ZINC001235672712 778531565 /nfs/dbraw/zinc/53/15/65/778531565.db2.gz FQBJCIBXGMFZHJ-HNNXBMFYSA-N 2 0 276.424 2.818 20 0 CFADRP Cc1ccccc1O[C@H]1CC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001235676114 778532546 /nfs/dbraw/zinc/53/25/46/778532546.db2.gz WOLABJLRNPQZQQ-SJORKVTESA-N 2 0 288.435 2.980 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(C[NH2+]C)CC2)c(C)c1 ZINC001235679789 778533580 /nfs/dbraw/zinc/53/35/80/778533580.db2.gz XJQCITBCXVPTGH-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001235679905 778533699 /nfs/dbraw/zinc/53/36/99/778533699.db2.gz ZSIWLZULJXHQJV-UHFFFAOYSA-N 2 0 283.419 2.909 20 0 CFADRP Oc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(F)c1 ZINC001235701075 778541862 /nfs/dbraw/zinc/54/18/62/778541862.db2.gz FQNAJWGNLCKPHK-UHFFFAOYSA-N 2 0 292.398 2.743 20 0 CFADRP C[C@@H](CCNC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000697937771 778551551 /nfs/dbraw/zinc/55/15/51/778551551.db2.gz VFVGAMCHEIFTOL-INIZCTEOSA-N 2 0 289.467 2.581 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001235748531 778552375 /nfs/dbraw/zinc/55/23/75/778552375.db2.gz BTMKDDCSJVVISH-JTQLQIEISA-N 2 0 263.772 2.602 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001235864517 778584244 /nfs/dbraw/zinc/58/42/44/778584244.db2.gz IKDAJVFWRCZDCS-AWEZNQCLSA-N 2 0 268.401 2.655 20 0 CFADRP C(C1CC2(C1)CC[NH2+]CC2)[N@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC001235881089 778588547 /nfs/dbraw/zinc/58/85/47/778588547.db2.gz DQPNRGWUAMCLFJ-GASCZTMLSA-N 2 0 262.441 2.888 20 0 CFADRP COc1cc(C)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884107 778590676 /nfs/dbraw/zinc/59/06/76/778590676.db2.gz UNKPXSCQDMMBEG-QGZVFWFLSA-N 2 0 288.435 2.968 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235894176 778594629 /nfs/dbraw/zinc/59/46/29/778594629.db2.gz UUDVLCNYJBTHJL-IEBWSBKVSA-N 2 0 299.462 2.861 20 0 CFADRP Fc1ccc2c(c1)CN(Cc1ccc3c(c1)C[NH2+]C3)CC2 ZINC001235905945 778603803 /nfs/dbraw/zinc/60/38/03/778603803.db2.gz SPKAVJRLXQDYSZ-UHFFFAOYSA-N 2 0 282.362 2.987 20 0 CFADRP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928886 778612982 /nfs/dbraw/zinc/61/29/82/778612982.db2.gz DWNXEXPMJMZNRW-SJORKVTESA-N 2 0 258.409 2.851 20 0 CFADRP c1ccc(CCCCC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235929418 778613604 /nfs/dbraw/zinc/61/36/04/778613604.db2.gz OMNIBRAHHHIDGT-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP Clc1cccc(CCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001235929268 778613818 /nfs/dbraw/zinc/61/38/18/778613818.db2.gz JVKQGTYMXDXAJB-GJZGRUSLSA-N 2 0 278.827 2.814 20 0 CFADRP Clc1cccc(CCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235929270 778613919 /nfs/dbraw/zinc/61/39/19/778613919.db2.gz JVKQGTYMXDXAJB-LSDHHAIUSA-N 2 0 278.827 2.814 20 0 CFADRP Clc1cccc(CCC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235929269 778613938 /nfs/dbraw/zinc/61/39/38/778613938.db2.gz JVKQGTYMXDXAJB-HUUCEWRRSA-N 2 0 278.827 2.814 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1CC ZINC001235936292 778616901 /nfs/dbraw/zinc/61/69/01/778616901.db2.gz GJUIBZWVNPMDNJ-IAGOWNOFSA-N 2 0 288.435 2.689 20 0 CFADRP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC001235940313 778619340 /nfs/dbraw/zinc/61/93/40/778619340.db2.gz SFQQFGBKPAHDGG-QWHCGFSZSA-N 2 0 264.438 2.742 20 0 CFADRP c1ccc(C2C[NH+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001235949486 778624346 /nfs/dbraw/zinc/62/43/46/778624346.db2.gz MNXNPKJBSZUABW-UHFFFAOYSA-N 2 0 278.399 2.932 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH2+]2 ZINC000721883681 778625609 /nfs/dbraw/zinc/62/56/09/778625609.db2.gz VFPDLVYWSIPTAS-IAODNVIUSA-N 2 0 280.456 2.699 20 0 CFADRP Cc1ccc([C@H](C)CC[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])o1 ZINC001235958291 778627163 /nfs/dbraw/zinc/62/71/63/778627163.db2.gz CSTBGUOPFNKKKL-OEYIWLLWSA-N 2 0 262.397 2.751 20 0 CFADRP C[C@H]([NH3+])c1ccccc1-c1ccc(N2CC[NH+](C)CC2)nc1 ZINC001235974834 778635300 /nfs/dbraw/zinc/63/53/00/778635300.db2.gz HBCFUPNDGHWYLC-AWEZNQCLSA-N 2 0 296.418 2.520 20 0 CFADRP [NH3+][C@@]12CC[C@@H]1C[N@H+](CC1(c3ccccc3)CCCC1)C2 ZINC001235976660 778636336 /nfs/dbraw/zinc/63/63/36/778636336.db2.gz BKDLJFIQVSCTFD-SJLPKXTDSA-N 2 0 270.420 2.922 20 0 CFADRP CCN(Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2)[C@@H]1CC[NH2+]C1 ZINC001235976529 778636503 /nfs/dbraw/zinc/63/65/03/778636503.db2.gz YKQSLYJYJKTCCZ-QGZVFWFLSA-N 2 0 299.462 2.872 20 0 CFADRP CCC(CC)C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236005627 778651213 /nfs/dbraw/zinc/65/12/13/778651213.db2.gz LMPKAULXNJPIDM-MSOLQXFVSA-N 2 0 272.436 2.896 20 0 CFADRP Fc1ccc(CC2CC[NH+](CCC3C[NH2+]C3)CC2)c(F)c1 ZINC001236081443 778684978 /nfs/dbraw/zinc/68/49/78/778684978.db2.gz MPZVCHIRCJAGFA-UHFFFAOYSA-N 2 0 294.389 2.829 20 0 CFADRP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236093863 778689049 /nfs/dbraw/zinc/68/90/49/778689049.db2.gz LPRAFGZWRUEYEB-CABCVRRESA-N 2 0 296.455 2.715 20 0 CFADRP CCc1cc(CN2CCC[NH2+][C@@H](C)C2)cc(CC)c1O ZINC001236095462 778689868 /nfs/dbraw/zinc/68/98/68/778689868.db2.gz URVUBIZDVUMANP-ZDUSSCGKSA-N 2 0 276.424 2.701 20 0 CFADRP c1csc([C@H]2C[NH2+]CCN2CCC[NH+]2CCCCC2)c1 ZINC001236112430 778698833 /nfs/dbraw/zinc/69/88/33/778698833.db2.gz FLEQPEOJLOSSSP-OAHLLOKOSA-N 2 0 293.480 2.570 20 0 CFADRP CC1(F)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168373440 778700488 /nfs/dbraw/zinc/70/04/88/778700488.db2.gz RVKWRCFTPJQIQH-UHFFFAOYSA-N 2 0 254.393 2.685 20 0 CFADRP CC[NH+]1CCC(CC2CC[NH+](CCCCO)CC2)CC1 ZINC001236193447 778731822 /nfs/dbraw/zinc/73/18/22/778731822.db2.gz KULNGYOGGNEYCM-UHFFFAOYSA-N 2 0 282.472 2.593 20 0 CFADRP C[NH2+]C1CCC([N@H+](C)Cc2ccc3c(c2)NCC3)CC1 ZINC001236215578 778740322 /nfs/dbraw/zinc/74/03/22/778740322.db2.gz CNYFHDWTUORBSQ-UHFFFAOYSA-N 2 0 273.424 2.617 20 0 CFADRP FC(F)Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236314763 778773842 /nfs/dbraw/zinc/77/38/42/778773842.db2.gz GSEIVAPMWQHSAO-OKILXGFUSA-N 2 0 296.361 2.719 20 0 CFADRP Clc1ccc(CC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236315227 778774268 /nfs/dbraw/zinc/77/42/68/778774268.db2.gz WRTWFGZSTPWUHO-GASCZTMLSA-N 2 0 278.827 2.814 20 0 CFADRP CC[NH+](CC)Cc1ccc(F)c(-c2cc(C[NH3+])ncn2)c1 ZINC001236316303 778775348 /nfs/dbraw/zinc/77/53/48/778775348.db2.gz BSMGSLVHKROVPL-UHFFFAOYSA-N 2 0 288.370 2.583 20 0 CFADRP Nc1ccc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)cn1 ZINC001236318010 778776429 /nfs/dbraw/zinc/77/64/29/778776429.db2.gz VTRJLHOMCVXCPI-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP Cn1ccc2c1cccc2C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317580 778776436 /nfs/dbraw/zinc/77/64/36/778776436.db2.gz ZLNGKBNYOGGBRE-GASCZTMLSA-N 2 0 283.419 2.610 20 0 CFADRP Cn1ccc2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc21 ZINC001236319644 778777239 /nfs/dbraw/zinc/77/72/39/778777239.db2.gz CCUGAHUHJGQCEV-CALCHBBNSA-N 2 0 283.419 2.610 20 0 CFADRP c1cc2ccncc2c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320597 778777301 /nfs/dbraw/zinc/77/73/01/778777301.db2.gz RDWHRIBTKQKVTD-IYBDPMFKSA-N 2 0 281.403 2.666 20 0 CFADRP c1nc(-c2ccccc2)[nH]c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319932 778777799 /nfs/dbraw/zinc/77/77/99/778777799.db2.gz IATQMZWIEBTWBQ-IYBDPMFKSA-N 2 0 296.418 2.508 20 0 CFADRP C[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001168392060 778777970 /nfs/dbraw/zinc/77/79/70/778777970.db2.gz QGOVATPVTBFYNO-KGLIPLIRSA-N 2 0 250.430 2.981 20 0 CFADRP Cc1c(F)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1F ZINC001236320770 778778226 /nfs/dbraw/zinc/77/82/26/778778226.db2.gz FMBBDEUMPGRZSZ-OKILXGFUSA-N 2 0 280.362 2.705 20 0 CFADRP COc1cc(C)cc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321253 778778636 /nfs/dbraw/zinc/77/86/36/778778636.db2.gz KGFDHIOYSBIZDN-OKILXGFUSA-N 2 0 292.398 2.574 20 0 CFADRP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC001236321452 778779651 /nfs/dbraw/zinc/77/96/51/778779651.db2.gz RPUOJXRDCXCICS-OKILXGFUSA-N 2 0 299.393 2.805 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168399739 778796740 /nfs/dbraw/zinc/79/67/40/778796740.db2.gz DHMPGMWBKOFXCV-XHSDSOJGSA-N 2 0 262.372 2.543 20 0 CFADRP CCCOc1ccccc1CN(CC)C[C@@H]1CC[NH2+]C1 ZINC001236408474 778805151 /nfs/dbraw/zinc/80/51/51/778805151.db2.gz MZZSZPXMKOQGRC-OAHLLOKOSA-N 2 0 276.424 2.907 20 0 CFADRP C[N@H+](CCCc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410602 778806577 /nfs/dbraw/zinc/80/65/77/778806577.db2.gz HRDQJLPLHHXWJJ-FICVDOATSA-N 2 0 298.352 2.788 20 0 CFADRP C[N@H+](CC(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412356 778807747 /nfs/dbraw/zinc/80/77/47/778807747.db2.gz SVBDWIVBIZWFIT-RUYXUALKSA-N 2 0 292.426 2.968 20 0 CFADRP C[NH+](C)Cc1cccc(-c2cccc(C[NH+](C)C)n2)c1 ZINC001236420716 778814805 /nfs/dbraw/zinc/81/48/05/778814805.db2.gz TUSZPMWPGHGDKA-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP CC(C)C[NH2+]Cc1ccc(-c2nccc(C3C[NH2+]C3)n2)cc1 ZINC001236430191 778824743 /nfs/dbraw/zinc/82/47/43/778824743.db2.gz ZKCATYSHFYYPGD-UHFFFAOYSA-N 2 0 296.418 2.576 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CCCCCC[NH3+])CCC2 ZINC001236433995 778827940 /nfs/dbraw/zinc/82/79/40/778827940.db2.gz MNCOQXKYZCUOAB-UHFFFAOYSA-N 2 0 276.424 2.963 20 0 CFADRP CC(C)(C)C[N@H+](Cc1ccc(C[NH3+])cc1)C1CC[NH2+]CC1 ZINC001236458105 778834446 /nfs/dbraw/zinc/83/44/46/778834446.db2.gz UMGWFPUDRWYOMN-UHFFFAOYSA-N 3 0 289.467 2.745 20 0 CFADRP C[NH+](C)CC1(CN(CC[NH3+])Cc2ccccc2)CCCC1 ZINC001236521949 778858413 /nfs/dbraw/zinc/85/84/13/778858413.db2.gz HCZKKOQTEQGNCM-UHFFFAOYSA-N 2 0 289.467 2.569 20 0 CFADRP CC[C@@H]([NH3+])CN(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236534579 778868138 /nfs/dbraw/zinc/86/81/38/778868138.db2.gz XHOZZIXKXQSADV-BZUAXINKSA-N 2 0 293.430 2.635 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCC[NH2+]2)CC2CCC2)CC1 ZINC001236539816 778870423 /nfs/dbraw/zinc/87/04/23/778870423.db2.gz BGWHUTZCJDPFSJ-BZSNNMDCSA-N 3 0 293.499 2.891 20 0 CFADRP CC[C@H](N)C[N@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556024 778875987 /nfs/dbraw/zinc/87/59/87/778875987.db2.gz PNBZTZHUDUMTIG-BZSNNMDCSA-N 2 0 289.467 2.804 20 0 CFADRP Fc1cc(F)cc(CC[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001236584771 778885685 /nfs/dbraw/zinc/88/56/85/778885685.db2.gz STGZLXNEUZMQPZ-CQSZACIVSA-N 2 0 294.389 2.971 20 0 CFADRP c1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc2c1NCC2 ZINC001236601892 778891923 /nfs/dbraw/zinc/89/19/23/778891923.db2.gz PQZYUZUOPXUORO-OAHLLOKOSA-N 2 0 285.435 2.619 20 0 CFADRP CCCC[C@H](CC)C[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001236616407 778895655 /nfs/dbraw/zinc/89/56/55/778895655.db2.gz MUKLDGUIHLEMKL-HOTGVXAUSA-N 2 0 281.488 2.700 20 0 CFADRP C[C@H](CO)C[N@@H+]1CCC[C@@]2(CCC[NH+](C3CCCC3)C2)C1 ZINC001277999007 778914020 /nfs/dbraw/zinc/91/40/20/778914020.db2.gz WNDXOPXZJAFPGC-FUHWJXTLSA-N 2 0 294.483 2.735 20 0 CFADRP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001236735130 778923054 /nfs/dbraw/zinc/92/30/54/778923054.db2.gz IYTMFHFFTPGSAP-NVXWUHKLSA-N 2 0 270.376 2.816 20 0 CFADRP CC[NH+]1C[C@H]2C[NH+](Cc3cccc4ccoc43)C[C@@H]2C1 ZINC001236739940 778925768 /nfs/dbraw/zinc/92/57/68/778925768.db2.gz HAFDNQYBCSKQKD-HOTGVXAUSA-N 2 0 270.376 2.816 20 0 CFADRP C[NH+](C)CCC[N@H+](C)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168420438 778947970 /nfs/dbraw/zinc/94/79/70/778947970.db2.gz LAHDMNDJRCVZAM-MRXNPFEDSA-N 2 0 264.388 2.567 20 0 CFADRP CCC[N@@H+](Cc1cn(C)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236835643 778959677 /nfs/dbraw/zinc/95/96/77/778959677.db2.gz OHLWMBPDUUWEQL-OAHLLOKOSA-N 2 0 285.435 3.000 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1ccc2nc(C)ccc2c1 ZINC001236868751 778968629 /nfs/dbraw/zinc/96/86/29/778968629.db2.gz HPLRHGUZTQPDIR-HNNXBMFYSA-N 2 0 257.381 2.712 20 0 CFADRP CCCC[C@@H](CC)CN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236923980 778981532 /nfs/dbraw/zinc/98/15/32/778981532.db2.gz NKJGLBVAQCZRSA-SJORKVTESA-N 2 0 283.504 2.818 20 0 CFADRP CC(C)=CCC[C@@H](C)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236925022 778982691 /nfs/dbraw/zinc/98/26/91/778982691.db2.gz VTGIRXNONZGETL-QZTJIDSGSA-N 2 0 295.515 2.985 20 0 CFADRP c1ccc(CC[C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC001236950645 778984722 /nfs/dbraw/zinc/98/47/22/778984722.db2.gz OBBXQKZGXXZOCJ-QZTJIDSGSA-N 2 0 272.436 2.941 20 0 CFADRP CSCCC[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236949308 778984889 /nfs/dbraw/zinc/98/48/89/778984889.db2.gz HOAXJQCNSHMURY-UHFFFAOYSA-N 2 0 270.486 2.841 20 0 CFADRP [NH3+]CCCCN1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001237041210 778996325 /nfs/dbraw/zinc/99/63/25/778996325.db2.gz DTZRGXSCDKHWHL-CQSZACIVSA-N 2 0 268.351 2.850 20 0 CFADRP c1cc(CNc2cc[nH+]cc2)cc(C[NH+]2CCCC2)c1 ZINC001120860858 778996828 /nfs/dbraw/zinc/99/68/28/778996828.db2.gz ULOSWCQOLUPEPQ-UHFFFAOYSA-N 2 0 267.376 2.711 20 0 CFADRP Fc1ccc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237143409 779024163 /nfs/dbraw/zinc/02/41/63/779024163.db2.gz FGXIHMPLUDPNED-INIZCTEOSA-N 2 0 262.372 2.932 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cccccc3-4)C[C@@H]2C1 ZINC001237193441 779045324 /nfs/dbraw/zinc/04/53/24/779045324.db2.gz PBVDJCKEGHQYJN-CALCHBBNSA-N 2 0 266.388 2.785 20 0 CFADRP Clc1cc(Cl)c2c(c1)CC[N@@H+](CCC1C[NH2+]C1)C2 ZINC001237263339 779062925 /nfs/dbraw/zinc/06/29/25/779062925.db2.gz CVXIEQXSNRKTLY-UHFFFAOYSA-N 2 0 285.218 2.961 20 0 CFADRP [NH3+]C12CC(C[NH+]3CCC4(CCNc5ccccc54)CC3)(C1)C2 ZINC001237320505 779074651 /nfs/dbraw/zinc/07/46/51/779074651.db2.gz XRFBCCGXHFYRGO-UHFFFAOYSA-N 2 0 297.446 2.717 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168438451 779075134 /nfs/dbraw/zinc/07/51/34/779075134.db2.gz MWJKFLBFOQVYLF-GOSISDBHSA-N 2 0 290.426 2.957 20 0 CFADRP Cn1ccc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)ccc21 ZINC001237393877 779095321 /nfs/dbraw/zinc/09/53/21/779095321.db2.gz UEEKIFGEUUDXJS-DLBZAZTESA-N 2 0 283.419 2.752 20 0 CFADRP Cn1ccc2cc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)ccc21 ZINC001237393884 779095491 /nfs/dbraw/zinc/09/54/91/779095491.db2.gz UEEKIFGEUUDXJS-SJORKVTESA-N 2 0 283.419 2.752 20 0 CFADRP Fc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ncccc12 ZINC001237414414 779102213 /nfs/dbraw/zinc/10/22/13/779102213.db2.gz LWGUAMBLIYPFQC-GUYCJALGSA-N 2 0 299.393 2.948 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(F)c3cccnc13)CC2 ZINC001237433625 779106344 /nfs/dbraw/zinc/10/63/44/779106344.db2.gz KMZIUNBNIDFWRA-UHFFFAOYSA-N 2 0 299.393 2.902 20 0 CFADRP COc1c(C)cccc1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001237503708 779122661 /nfs/dbraw/zinc/12/26/61/779122661.db2.gz GBNTVCVRZYFXMB-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc4c(F)cccc34)C[C@@H]2C1 ZINC001237517634 779125133 /nfs/dbraw/zinc/12/51/33/779125133.db2.gz IMGPMXOSPZOTDZ-GASCZTMLSA-N 2 0 284.378 2.972 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168443313 779128239 /nfs/dbraw/zinc/12/82/39/779128239.db2.gz ADTMQJJQFXNDFY-QGZVFWFLSA-N 2 0 278.415 2.957 20 0 CFADRP COc1ccc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC001237713288 779166991 /nfs/dbraw/zinc/16/69/91/779166991.db2.gz JURWGPAYMIGESA-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP COc1ccoc1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001237870835 779197046 /nfs/dbraw/zinc/19/70/46/779197046.db2.gz GNNTXJNFQADKJE-UHFFFAOYSA-N 2 0 280.412 2.840 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN(C)CC[NH+](C)C)cc21 ZINC001237880540 779198516 /nfs/dbraw/zinc/19/85/16/779198516.db2.gz HBJCRAYJFHCJQE-UHFFFAOYSA-N 2 0 287.451 2.681 20 0 CFADRP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)CC1 ZINC001205101222 779207209 /nfs/dbraw/zinc/20/72/09/779207209.db2.gz BREPKZKEFHUVPW-QGZVFWFLSA-N 2 0 287.451 2.990 20 0 CFADRP Cc1cccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000699287212 779237826 /nfs/dbraw/zinc/23/78/26/779237826.db2.gz FQTKHZCAEOKLMT-ALOPSCKCSA-N 2 0 258.409 2.957 20 0 CFADRP COc1cccc(C[N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000699313663 779241127 /nfs/dbraw/zinc/24/11/27/779241127.db2.gz ZSKWQWJXDDCCCA-MQVJKMGUSA-N 2 0 274.408 2.658 20 0 CFADRP FCCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001278206920 779288864 /nfs/dbraw/zinc/28/88/64/779288864.db2.gz LHWJWXNFEHNTOG-JKSUJKDBSA-N 2 0 294.418 2.684 20 0 CFADRP c1cc2n(c1C[NH+]1CCC3(CCCC3)CC1)CC[NH2+]C2 ZINC001235157999 779321350 /nfs/dbraw/zinc/32/13/50/779321350.db2.gz SXFITSMUDSUNHS-UHFFFAOYSA-N 2 0 273.424 2.748 20 0 CFADRP C[N@H+]1C[C@H]2CN(Cc3ccc(F)c(C4CC4)c3)C[C@H]2C1 ZINC001238510889 779334516 /nfs/dbraw/zinc/33/45/16/779334516.db2.gz HSFSDBZZHSRUFO-GASCZTMLSA-N 2 0 274.383 2.697 20 0 CFADRP Cc1cc(CN(C)CCC[NH+](C)C)cnc1C1CC1 ZINC001238617553 779350426 /nfs/dbraw/zinc/35/04/26/779350426.db2.gz VZVNBMZDZNNZPU-UHFFFAOYSA-N 2 0 261.413 2.651 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1C(F)F ZINC001205150982 779352991 /nfs/dbraw/zinc/35/29/91/779352991.db2.gz MTIXJKHZCBUKCT-CMPLNLGQSA-N 2 0 284.350 2.659 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715257370 779353399 /nfs/dbraw/zinc/35/33/99/779353399.db2.gz SXWVAWDERIFZMP-KLAILNCOSA-N 3 0 281.488 2.713 20 0 CFADRP Cc1cc(C[N@H+](C)CCC[NH3+])cc(OC(F)(F)F)c1 ZINC001235435582 779353855 /nfs/dbraw/zinc/35/38/55/779353855.db2.gz QQXIHURXUMKWMG-UHFFFAOYSA-N 2 0 276.302 2.674 20 0 CFADRP C[N@@H+](CCc1cc(F)cc(F)c1)CCC1CC[NH2+]CC1 ZINC001235713960 779369250 /nfs/dbraw/zinc/36/92/50/779369250.db2.gz IIILBCCXLKBYPL-UHFFFAOYSA-N 2 0 282.378 2.829 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715268754 779377997 /nfs/dbraw/zinc/37/79/97/779377997.db2.gz GPWLKGPMXHEKNB-ULQDDVLXSA-N 3 0 283.504 2.959 20 0 CFADRP CC[N@H+]1C[C@H]2CN(Cc3cc(C)c(C)cc3OC)C[C@H]2C1 ZINC001238768980 779387076 /nfs/dbraw/zinc/38/70/76/779387076.db2.gz HCSUCPVFECTYKJ-CALCHBBNSA-N 2 0 288.435 2.696 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(C3=CCC[NH2+]CC3)cc2)CC1 ZINC001238946432 779423347 /nfs/dbraw/zinc/42/33/47/779423347.db2.gz QAIAJMKSQHWBEM-UHFFFAOYSA-N 3 0 299.462 2.624 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3cnoc3)cc2)CC1 ZINC001239188220 779466594 /nfs/dbraw/zinc/46/65/94/779466594.db2.gz HKWAQNSHUOYKAM-UHFFFAOYSA-N 2 0 271.364 2.512 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccccc2[C@H](C)[NH3+])cn1 ZINC001239209544 779472325 /nfs/dbraw/zinc/47/23/25/779472325.db2.gz PQXJRQDIFRBCRM-AWEZNQCLSA-N 2 0 286.423 2.912 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2cccc(C3([NH3+])CC3)c2)cn1 ZINC001239215810 779477088 /nfs/dbraw/zinc/47/70/88/779477088.db2.gz ZNGPAMGHTSZQGI-UHFFFAOYSA-N 2 0 298.434 2.840 20 0 CFADRP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Cl ZINC001236314168 779536539 /nfs/dbraw/zinc/53/65/39/779536539.db2.gz ISBLRUXXTUMUIU-BETUJISGSA-N 2 0 282.790 2.911 20 0 CFADRP CN(C[C@@H]1CCCC[NH2+]1)C1CC[NH+](C2CCCCC2)CC1 ZINC001236846631 779646083 /nfs/dbraw/zinc/64/60/83/779646083.db2.gz GCTFABGBOHDJSX-INIZCTEOSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H]([NH3+])CN(C)Cc1ccc(-c2ccccn2)cc1 ZINC001236900096 779657526 /nfs/dbraw/zinc/65/75/26/779657526.db2.gz OLERJTNFLIPLBY-ZDUSSCGKSA-N 2 0 255.365 2.528 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1ccccc1N1CC[NH2+]CC1 ZINC001239683501 779708909 /nfs/dbraw/zinc/70/89/09/779708909.db2.gz JCQQRYRUUSLPJS-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC001239799477 779781865 /nfs/dbraw/zinc/78/18/65/779781865.db2.gz VZBJWYLTDAYAJE-UHFFFAOYSA-N 2 0 267.376 2.674 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000764907373 779862244 /nfs/dbraw/zinc/86/22/44/779862244.db2.gz FNOJIMSYUPVPLT-KRWDZBQOSA-N 2 0 276.424 2.540 20 0 CFADRP Nc1[nH]c2ccc(N3C[C@@H](CC[NH3+])c4ccccc43)cc2[nH+]1 ZINC001168547886 779932270 /nfs/dbraw/zinc/93/22/70/779932270.db2.gz BFOPPQIMLUJYLO-LLVKDONJSA-N 2 0 293.374 2.729 20 0 CFADRP COC[C@@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000721918697 779966489 /nfs/dbraw/zinc/96/64/89/779966489.db2.gz LGAQKZYDSVWYDG-DLBZAZTESA-N 2 0 282.472 2.617 20 0 CFADRP COC[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C(C)C ZINC000721920403 779973152 /nfs/dbraw/zinc/97/31/52/779973152.db2.gz PCJPYNPOKFNIPQ-IAGOWNOFSA-N 2 0 282.472 2.617 20 0 CFADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CCCCC ZINC001168614146 780061030 /nfs/dbraw/zinc/06/10/30/780061030.db2.gz AZTKMFOQJYXZJP-UHFFFAOYSA-N 2 0 299.503 2.785 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000715581345 780175297 /nfs/dbraw/zinc/17/52/97/780175297.db2.gz RJFZBWNDAKEPEP-VMBOVVBDSA-N 2 0 274.408 2.720 20 0 CFADRP C[N@@H+]1CCc2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2C1 ZINC001240458528 780180899 /nfs/dbraw/zinc/18/08/99/780180899.db2.gz KLSYMYUHCYJSJH-UHFFFAOYSA-N 2 0 278.399 2.987 20 0 CFADRP CCOc1ccc(Cl)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC001205041235 780236950 /nfs/dbraw/zinc/23/69/50/780236950.db2.gz RTIKANKYSRHGSD-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP CCn1cc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC001240652464 780328914 /nfs/dbraw/zinc/32/89/14/780328914.db2.gz RUGVSHULESCKEE-UHFFFAOYSA-N 2 0 298.434 2.741 20 0 CFADRP C[NH+]1CCC(c2cccc(C3=CCC[NH2+]C3)c2)CC1 ZINC001240670605 780343324 /nfs/dbraw/zinc/34/33/24/780343324.db2.gz KFEYTQURTDWURV-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C12CCC2 ZINC000453112765 780415216 /nfs/dbraw/zinc/41/52/16/780415216.db2.gz FPECHOPBKFAHJI-SOUVJXGZSA-N 2 0 282.472 2.900 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000453119882 780415381 /nfs/dbraw/zinc/41/53/81/780415381.db2.gz MWSFOMJCUZXJNI-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422757877 780433674 /nfs/dbraw/zinc/43/36/74/780433674.db2.gz NGANLSJJGPVXTE-AOVLDOJVSA-N 2 0 292.467 2.545 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000423510553 780442329 /nfs/dbraw/zinc/44/23/29/780442329.db2.gz MNPYPQKSLMPJFM-CVEARBPZSA-N 2 0 284.407 2.857 20 0 CFADRP Cc1ccc(C)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001241191559 780696252 /nfs/dbraw/zinc/69/62/52/780696252.db2.gz MKBWWZKAHJCZFB-UHFFFAOYSA-N 2 0 267.376 2.775 20 0 CFADRP C[N@H+]1CC=C(c2cncc(C[NH+]3CCCCC3)c2)CC1 ZINC001241330500 780784357 /nfs/dbraw/zinc/78/43/57/780784357.db2.gz UAUNJFFVTFXFJX-UHFFFAOYSA-N 2 0 271.408 2.786 20 0 CFADRP C[N@H+]1CC=C(c2ccc([C@@H]3CCC[NH2+]3)c(F)c2)CC1 ZINC001241330278 780784609 /nfs/dbraw/zinc/78/46/09/780784609.db2.gz NVDXVMUVTQNPRA-INIZCTEOSA-N 2 0 260.356 2.969 20 0 CFADRP C[N@H+]1CC=C(c2ccccc2C2CC[NH2+]CC2)CC1 ZINC001241333825 780787804 /nfs/dbraw/zinc/78/78/04/780787804.db2.gz YTDAYGGDKALPQL-UHFFFAOYSA-N 2 0 256.393 2.873 20 0 CFADRP CC(C)(C)Oc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162405814 780916737 /nfs/dbraw/zinc/91/67/37/780916737.db2.gz WXGCSHSAKMRILW-VXGBXAGGSA-N 2 0 263.385 2.941 20 0 CFADRP [NH3+]Cc1cccc(C2=CC[N@H+](Cc3ccccc3)CC2)n1 ZINC001241501842 780947135 /nfs/dbraw/zinc/94/71/35/780947135.db2.gz FYIHJDDEQYFIJR-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(-c3cnn(C4C[NH2+]C4)c3)cc21 ZINC001241615712 781019122 /nfs/dbraw/zinc/01/91/22/781019122.db2.gz WIDQPSGFHFNNOE-UHFFFAOYSA-N 2 0 294.402 2.696 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000703574957 781035392 /nfs/dbraw/zinc/03/53/92/781035392.db2.gz BNCVMVJJBBLNRW-BHYGNILZSA-N 2 0 256.393 2.605 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNCc2ccc(Cl)cn2)C1 ZINC000703885090 781074492 /nfs/dbraw/zinc/07/44/92/781074492.db2.gz CLVJUMHURHBCJN-GFCCVEGCSA-N 2 0 267.804 2.557 20 0 CFADRP COCCC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000704161111 781089582 /nfs/dbraw/zinc/08/95/82/781089582.db2.gz LRVZNCJTPACEKB-UHFFFAOYSA-N 2 0 294.464 2.642 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(F)cn3)cc2)CC1 ZINC001241809220 781138122 /nfs/dbraw/zinc/13/81/22/781138122.db2.gz FPTMYPJLTJUCCA-UHFFFAOYSA-N 2 0 285.366 2.811 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC001241911540 781176698 /nfs/dbraw/zinc/17/66/98/781176698.db2.gz NCDMAHWRALWXCF-HNNXBMFYSA-N 2 0 253.349 2.632 20 0 CFADRP Nc1[nH+]ccn1Cc1ccccc1-c1ccc(C[NH3+])cc1 ZINC001241917175 781179789 /nfs/dbraw/zinc/17/97/89/781179789.db2.gz OMKVPDRFHZMKSG-UHFFFAOYSA-N 2 0 278.359 2.639 20 0 CFADRP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000706544789 781186582 /nfs/dbraw/zinc/18/65/82/781186582.db2.gz QMSFGJZDBMTMHM-TTZDDIAXSA-N 2 0 250.430 2.933 20 0 CFADRP c1cc2c(cc[nH+]c2-c2ccc(CN3CC[NH2+]CC3)cc2)[nH]1 ZINC001241976618 781213112 /nfs/dbraw/zinc/21/31/12/781213112.db2.gz ZJWAMXVYRUTUFA-UHFFFAOYSA-N 2 0 292.386 2.635 20 0 CFADRP C[NH+](C)CCOc1ccccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242026648 781240515 /nfs/dbraw/zinc/24/05/15/781240515.db2.gz NEUZYVUZQPZUPH-CABCVRRESA-N 2 0 272.392 2.535 20 0 CFADRP Cc1cc(N)ncc1-c1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC001242095366 781277135 /nfs/dbraw/zinc/27/71/35/781277135.db2.gz GATIZQWQGVKNSE-UHFFFAOYSA-N 2 0 296.418 2.562 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709656019 781296771 /nfs/dbraw/zinc/29/67/71/781296771.db2.gz LVAGTQSIBMDQFR-CYBMUJFWSA-N 2 0 268.445 2.654 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2ccc3c[nH+]cn3c2)cc1 ZINC001242149450 781302356 /nfs/dbraw/zinc/30/23/56/781302356.db2.gz PYTJWMHIBAGVIK-UHFFFAOYSA-N 2 0 281.359 2.942 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C(C)(C)O1 ZINC000709702067 781302660 /nfs/dbraw/zinc/30/26/60/781302660.db2.gz JFLURXCXFKOGKD-LJISPDSOSA-N 2 0 280.456 2.639 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709756506 781306705 /nfs/dbraw/zinc/30/67/05/781306705.db2.gz UYUPIHLSHKSRSR-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1C[C@H]3CC[C@@H](C1)S3)[NH2+]2 ZINC000709451398 781311753 /nfs/dbraw/zinc/31/17/53/781311753.db2.gz MZHSMDYIZMCAPF-AFZQWQJJSA-N 2 0 266.454 2.532 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccns1 ZINC000709774884 781312235 /nfs/dbraw/zinc/31/22/35/781312235.db2.gz IYTLABBQHKXYLZ-OLZOCXBDSA-N 2 0 267.442 2.586 20 0 CFADRP C[C@]1(C(F)(F)F)CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000709578606 781315017 /nfs/dbraw/zinc/31/50/17/781315017.db2.gz NHNVIDIJDJRCLA-RYUDHWBXSA-N 2 0 264.335 2.650 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C(F)(F)F ZINC000709803055 781318108 /nfs/dbraw/zinc/31/81/08/781318108.db2.gz NSUHTCRHMLVJDE-VXGBXAGGSA-N 2 0 264.335 2.636 20 0 CFADRP Cc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709822038 781318877 /nfs/dbraw/zinc/31/88/77/781318877.db2.gz ZPUQNROYOFEZMR-CHWSQXEVSA-N 2 0 272.314 2.564 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)C12CCC2 ZINC000709827528 781318891 /nfs/dbraw/zinc/31/88/91/781318891.db2.gz JPGNMDUJIQPEOO-SSHXOBKSSA-N 2 0 256.393 2.792 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709819535 781319539 /nfs/dbraw/zinc/31/95/39/781319539.db2.gz QOZODCGSIRXINL-RAIGVLPGSA-N 2 0 272.314 2.817 20 0 CFADRP Cc1ccc(C[N@H+](C)CCCCCC[NH3+])c(Cl)n1 ZINC000710804958 781340180 /nfs/dbraw/zinc/34/01/80/781340180.db2.gz PAGJVMVNTASXEZ-UHFFFAOYSA-N 2 0 269.820 2.994 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710909588 781344465 /nfs/dbraw/zinc/34/44/65/781344465.db2.gz ZISJEMNBCXHPSY-TXEJJXNPSA-N 2 0 264.438 2.872 20 0 CFADRP CC1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCCC1 ZINC000710945110 781348897 /nfs/dbraw/zinc/34/88/97/781348897.db2.gz WNMASBCDVJCTDE-UHFFFAOYSA-N 2 0 250.411 2.816 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)OC1 ZINC000711338451 781413338 /nfs/dbraw/zinc/41/33/38/781413338.db2.gz BJAGFNYCEDEZID-WQVCFCJDSA-N 2 0 274.408 2.926 20 0 CFADRP Nc1cncc(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001242502479 781550281 /nfs/dbraw/zinc/55/02/81/781550281.db2.gz ZZBKTBOUINTPJH-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP c1cc2c(c(-c3ccc4c(c3)C[NH2+]C4)c1)C[NH2+]CC2 ZINC001242673877 781689778 /nfs/dbraw/zinc/68/97/78/781689778.db2.gz HWJBYADQDWBLQD-UHFFFAOYSA-N 2 0 250.345 2.603 20 0 CFADRP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594510095 349435082 /nfs/dbraw/zinc/43/50/82/349435082.db2.gz PERBERZMESFYDV-WZRBSPASSA-N 2 0 296.436 2.526 20 0 CFADRP c1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127762628 187331220 /nfs/dbraw/zinc/33/12/20/187331220.db2.gz DUSFRPMKAVWHJJ-HZPDHXFCSA-N 2 0 298.434 2.643 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000230221231 282125586 /nfs/dbraw/zinc/12/55/86/282125586.db2.gz OMZWAZFHYHHDLJ-HUUCEWRRSA-N 2 0 270.461 2.686 20 0 CFADRP C[C@H](CSCCF)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105843 349582943 /nfs/dbraw/zinc/58/29/43/349582943.db2.gz ZLZKAUTUBJPHHW-CYBMUJFWSA-N 2 0 288.476 2.789 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000069645243 346897381 /nfs/dbraw/zinc/89/73/81/346897381.db2.gz RWPYGYBEXBPCLR-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c1Cl ZINC000335054500 282188260 /nfs/dbraw/zinc/18/82/60/282188260.db2.gz HERFKXBUMLWOAM-CYBMUJFWSA-N 2 0 279.815 2.966 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000070171005 346906208 /nfs/dbraw/zinc/90/62/08/346906208.db2.gz GELJVLOQHJKXEK-NSHDSACASA-N 2 0 296.798 2.630 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000070183582 346907395 /nfs/dbraw/zinc/90/73/95/346907395.db2.gz VAUAVHXUCBKQFK-UHFFFAOYSA-N 2 0 250.361 2.695 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@H]3CCC[C@@H]3[NH3+])c[nH]c21 ZINC000422907429 529554883 /nfs/dbraw/zinc/55/48/83/529554883.db2.gz BRVJWGPAHYTFAG-HOTGVXAUSA-N 2 0 271.408 2.742 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348107859 282194610 /nfs/dbraw/zinc/19/46/10/282194610.db2.gz JDTIZQCZSQUNNG-UMSGYPCISA-N 2 0 294.361 2.559 20 0 CFADRP CC[C@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423016542 529591056 /nfs/dbraw/zinc/59/10/56/529591056.db2.gz MUGWYPGNJUSPGR-IRXDYDNUSA-N 2 0 272.436 2.912 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422834969 529593174 /nfs/dbraw/zinc/59/31/74/529593174.db2.gz IAGYIJWSSGVKTO-ROUUACIJSA-N 3 0 295.515 2.865 20 0 CFADRP CC[C@H]([NH2+]CC1CCC(F)(F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423103504 529593289 /nfs/dbraw/zinc/59/32/89/529593289.db2.gz ATORWZPYTXCVGO-STQMWFEESA-N 2 0 260.372 2.932 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1C ZINC000414114643 529584566 /nfs/dbraw/zinc/58/45/66/529584566.db2.gz LXKQLYTUODFVGY-WTTBNOFXSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423116355 529605529 /nfs/dbraw/zinc/60/55/29/529605529.db2.gz PNISLLLUSHUBMZ-QRJUGERDSA-N 2 0 268.445 2.700 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423195703 529609661 /nfs/dbraw/zinc/60/96/61/529609661.db2.gz YCDNXPOMEPZWCD-DCAQKATOSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@@H](C1CCC1)[NH+](C)CC(O)C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000447299944 290032063 /nfs/dbraw/zinc/03/20/63/290032063.db2.gz AJDLTQAXTIEADB-KBPBESRZSA-N 2 0 282.472 2.588 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000422755776 529621119 /nfs/dbraw/zinc/62/11/19/529621119.db2.gz HALJJTLLRBUZNW-FXUDXRNXSA-N 2 0 282.472 2.948 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422752803 529629821 /nfs/dbraw/zinc/62/98/21/529629821.db2.gz HJICWSXKNNHXRX-IAGOWNOFSA-N 2 0 260.425 2.899 20 0 CFADRP CC[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422706520 529612486 /nfs/dbraw/zinc/61/24/86/529612486.db2.gz FEJYRUBRAKRVHU-ULQDDVLXSA-N 2 0 293.430 2.549 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(C)(C)C ZINC000374420903 282211140 /nfs/dbraw/zinc/21/11/40/282211140.db2.gz MQDKXWLUNNHJMQ-RBSFLKMASA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@H](NC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422909030 529617572 /nfs/dbraw/zinc/61/75/72/529617572.db2.gz NIXMFZDEGOLTIZ-SZMVWBNQSA-N 2 0 289.467 2.627 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CC1(C)C ZINC000414083039 529617586 /nfs/dbraw/zinc/61/75/86/529617586.db2.gz VPPQIFIDYXNGJH-ULQDDVLXSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423195705 529617787 /nfs/dbraw/zinc/61/77/87/529617787.db2.gz YCDNXPOMEPZWCD-VWYCJHECSA-N 2 0 252.324 2.695 20 0 CFADRP CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422950749 529638652 /nfs/dbraw/zinc/63/86/52/529638652.db2.gz WSGNVMKUIQYFAO-BFHYXJOUSA-N 2 0 291.439 2.887 20 0 CFADRP CC[C@H]([NH2+][C@H](C)Cc1cc(F)cc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000423162429 529665380 /nfs/dbraw/zinc/66/53/80/529665380.db2.gz LFXLJHBEPFSWLY-DQYPLSBCSA-N 2 0 294.414 2.886 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000250340527 282248398 /nfs/dbraw/zinc/24/83/98/282248398.db2.gz CDEJSUSRTJJDPN-FGTMMUONSA-N 2 0 287.451 2.506 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423183157 529707587 /nfs/dbraw/zinc/70/75/87/529707587.db2.gz RJZHSBKZNQDZLK-GOSISDBHSA-N 2 0 289.467 2.585 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000364964097 282259806 /nfs/dbraw/zinc/25/98/06/282259806.db2.gz UREARVCNCSGTSO-YZUHTNEWSA-N 2 0 280.456 2.941 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126817256 187263426 /nfs/dbraw/zinc/26/34/26/187263426.db2.gz LMKRCRCBRFYYFO-UKRRQHHQSA-N 2 0 262.397 2.645 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000358340850 282273958 /nfs/dbraw/zinc/27/39/58/282273958.db2.gz MMYUCLVUFHMSMQ-KBMXLJTQSA-N 2 0 270.461 2.900 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)[C@H]2CCC[C@@H]21 ZINC000414264381 529806386 /nfs/dbraw/zinc/80/63/86/529806386.db2.gz KVZNGDANHSAJEP-PMPSAXMXSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000348062586 539346616 /nfs/dbraw/zinc/34/66/16/539346616.db2.gz KUWPETNIMOGOPN-MUIFIZLQSA-N 2 0 280.456 2.654 20 0 CFADRP CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422758964 282961200 /nfs/dbraw/zinc/96/12/00/282961200.db2.gz OMGMRFPYAJMDCF-DZGCQCFKSA-N 2 0 279.428 2.705 20 0 CFADRP C[N@H+](CCCN[C@@H]1CCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422783452 529892015 /nfs/dbraw/zinc/89/20/15/529892015.db2.gz LCAWONPWVOXYBV-QZTJIDSGSA-N 2 0 289.467 2.758 20 0 CFADRP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422707752 529917908 /nfs/dbraw/zinc/91/79/08/529917908.db2.gz WZZLEBYGPVCWKT-RCCFBDPRSA-N 2 0 293.499 2.761 20 0 CFADRP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000302327374 136452326 /nfs/dbraw/zinc/45/23/26/136452326.db2.gz SVQDKGXGPIQQRM-UHFFFAOYSA-N 2 0 259.397 2.702 20 0 CFADRP C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000414727748 529958065 /nfs/dbraw/zinc/95/80/65/529958065.db2.gz AYGDLGPAYKYHRC-BBWFWOEESA-N 2 0 258.409 2.864 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348125132 539387326 /nfs/dbraw/zinc/38/73/26/539387326.db2.gz XBTQTZUGNPOWCK-KBMXLJTQSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH2+]CCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000423198342 529971623 /nfs/dbraw/zinc/97/16/23/529971623.db2.gz FIMDDSSFOZCBNS-GJZGRUSLSA-N 2 0 261.413 2.615 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000423185966 529971729 /nfs/dbraw/zinc/97/17/29/529971729.db2.gz KIGZQKJKWKNIBT-SNVBAGLBSA-N 2 0 271.202 2.709 20 0 CFADRP C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000422537942 529979805 /nfs/dbraw/zinc/97/98/05/529979805.db2.gz HXNKOFJDXOODAL-ZDUSSCGKSA-N 2 0 297.402 2.721 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000414841433 529985265 /nfs/dbraw/zinc/98/52/65/529985265.db2.gz OEVBKWBRYLVSHE-CQSZACIVSA-N 2 0 264.413 2.667 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414834663 529985404 /nfs/dbraw/zinc/98/54/04/529985404.db2.gz HKGIVWCWNXSSJY-CQSZACIVSA-N 2 0 269.392 2.694 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423280024 529985523 /nfs/dbraw/zinc/98/55/23/529985523.db2.gz UBNMZIJYAQEZOV-ZJUUUORDSA-N 2 0 258.768 2.985 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000423268366 529986170 /nfs/dbraw/zinc/98/61/70/529986170.db2.gz GDZKKKLPYDACRM-GDBMZVCRSA-N 2 0 278.440 2.707 20 0 CFADRP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423159884 529998638 /nfs/dbraw/zinc/99/86/38/529998638.db2.gz YQEQVBICECNQEA-DLBZAZTESA-N 2 0 287.451 2.511 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000423285271 529999600 /nfs/dbraw/zinc/99/96/00/529999600.db2.gz ZHCMNEOGISHMJH-SUMWQHHRSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000423282430 529999820 /nfs/dbraw/zinc/99/98/20/529999820.db2.gz WNSVVTAFPKYVSS-XJKSGUPXSA-N 2 0 282.403 2.739 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423280999 529999839 /nfs/dbraw/zinc/99/98/39/529999839.db2.gz VFZHJORSUBHDHN-NWDGAFQWSA-N 2 0 252.427 2.915 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000414930038 539402336 /nfs/dbraw/zinc/40/23/36/539402336.db2.gz SFQNQNPLXQODTI-NEPJUHHUSA-N 2 0 268.788 2.708 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)CCOC)CC1 ZINC000088520740 539406972 /nfs/dbraw/zinc/40/69/72/539406972.db2.gz LCOATKDOTBNCGH-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[NH3+])cn1 ZINC000414899825 530036460 /nfs/dbraw/zinc/03/64/60/530036460.db2.gz GIHUIUYISVPOJB-UHFFFAOYSA-N 2 0 284.407 2.678 20 0 CFADRP C[NH2+]Cc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414868937 290734743 /nfs/dbraw/zinc/73/47/43/290734743.db2.gz QJMUKDAIMCMKMW-IXDOHACOSA-N 2 0 273.424 2.739 20 0 CFADRP C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)C1CC[NH+](C)CC1 ZINC000324716721 539419834 /nfs/dbraw/zinc/41/98/34/539419834.db2.gz XNPFFXITEUDCQX-WBMJQRKESA-N 2 0 250.430 2.885 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000127303627 187295978 /nfs/dbraw/zinc/29/59/78/187295978.db2.gz WKJBMYBYFLCJQP-AEFFLSMTSA-N 2 0 289.467 2.753 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCOC(C)(C)C)CC1 ZINC000674906394 539470286 /nfs/dbraw/zinc/47/02/86/539470286.db2.gz FPILAUUCVLKJLZ-UHFFFAOYSA-N 2 0 270.461 2.998 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000121068542 232198583 /nfs/dbraw/zinc/19/85/83/232198583.db2.gz VPRSRAOSKDJCNS-IAGOWNOFSA-N 2 0 289.467 2.529 20 0 CFADRP C([NH2+]C1CC2(CCC2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000668441979 539490551 /nfs/dbraw/zinc/49/05/51/539490551.db2.gz YKQCDCWDIHRBGT-UHFFFAOYSA-N 2 0 292.467 2.800 20 0 CFADRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000128286413 187362167 /nfs/dbraw/zinc/36/21/67/187362167.db2.gz IPYCUCKXEQYHQO-SFHVURJKSA-N 2 0 289.467 2.755 20 0 CFADRP CC1(C)CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123983926 539514087 /nfs/dbraw/zinc/51/40/87/539514087.db2.gz NXBADYCXAZFWQT-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123885758 539512066 /nfs/dbraw/zinc/51/20/66/539512066.db2.gz JOVJTGFIQSTWML-ZIAGYGMSSA-N 2 0 258.409 2.810 20 0 CFADRP CCc1ccc(C)[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000668478353 539520535 /nfs/dbraw/zinc/52/05/35/539520535.db2.gz NJSOVOUSOBQHJW-LSDHHAIUSA-N 2 0 259.397 2.991 20 0 CFADRP CC(C)(CO)C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090193030 539527351 /nfs/dbraw/zinc/52/73/51/539527351.db2.gz UAWIMDKHMGVFEH-MRXNPFEDSA-N 2 0 290.451 2.648 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090218393 539527758 /nfs/dbraw/zinc/52/77/58/539527758.db2.gz PLTHXQACIXKTDF-XIRDDKMYSA-N 2 0 282.472 2.758 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C[C@H]1OC ZINC000344030974 282454490 /nfs/dbraw/zinc/45/44/90/282454490.db2.gz ZYRWKRAMAIRWOC-BFHYXJOUSA-N 2 0 256.434 2.510 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1OC ZINC000423433608 282458796 /nfs/dbraw/zinc/45/87/96/282458796.db2.gz KBDNJNSHVLQUQK-JJXSEGSLSA-N 2 0 280.456 2.558 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649011 346332464 /nfs/dbraw/zinc/33/24/64/346332464.db2.gz FPPXGVLAMZQDPG-HOCLYGCPSA-N 2 0 288.435 2.700 20 0 CFADRP COc1cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1 ZINC000040622165 346346595 /nfs/dbraw/zinc/34/65/95/346346595.db2.gz CBLABKZNHDBOCG-CQSZACIVSA-N 2 0 292.423 2.524 20 0 CFADRP CCOc1cc(C[NH2+]CC2CC[NH+](CC)CC2)ccc1O ZINC000044517570 346394856 /nfs/dbraw/zinc/39/48/56/346394856.db2.gz JNLHIQSDQRJGTK-UHFFFAOYSA-N 2 0 292.423 2.612 20 0 CFADRP COc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1F ZINC000192949571 539543811 /nfs/dbraw/zinc/54/38/11/539543811.db2.gz GIUDWZZMQATOGI-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C(C)(C)CC)CC[NH2+]CC1 ZINC000596648732 349968031 /nfs/dbraw/zinc/96/80/31/349968031.db2.gz AASWWDNNIFNLKP-KBPBESRZSA-N 2 0 298.471 2.722 20 0 CFADRP COc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056525359 346610679 /nfs/dbraw/zinc/61/06/79/346610679.db2.gz SSRQRQWOMXEVFB-UHFFFAOYSA-N 2 0 276.424 2.859 20 0 CFADRP CC(C)C[C@@H](CNC(=[NH2+])Nc1ccccc1)[NH+](C)C ZINC000066245059 346751515 /nfs/dbraw/zinc/75/15/15/346751515.db2.gz IJZLDXOJLUHRAP-AWEZNQCLSA-N 2 0 262.401 2.599 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000077281021 347182634 /nfs/dbraw/zinc/18/26/34/347182634.db2.gz RSKZPBJNLGOEJJ-UHFFFAOYSA-N 2 0 266.351 2.991 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CCN1CCOc1ccc(Cl)c(F)c1 ZINC000563630700 290165328 /nfs/dbraw/zinc/16/53/28/290165328.db2.gz WIILVGGHGPYJFZ-WDEREUQCSA-N 2 0 286.778 2.670 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC)CC2)C1(C)C ZINC000085398036 347479543 /nfs/dbraw/zinc/47/95/43/347479543.db2.gz NZFLDHUXHGVMQQ-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP COCc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000088553594 347505360 /nfs/dbraw/zinc/50/53/60/347505360.db2.gz XKIKKZMFVJUHEX-KRWDZBQOSA-N 2 0 276.424 2.653 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000089516749 347521102 /nfs/dbraw/zinc/52/11/02/347521102.db2.gz BMPVLJLRKCMIRN-YOEHRIQHSA-N 2 0 290.451 2.903 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000090176522 347545054 /nfs/dbraw/zinc/54/50/54/347545054.db2.gz FRCBPGSKGUTSFJ-BRWVUGGUSA-N 2 0 292.398 2.730 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1 ZINC000089721932 347526863 /nfs/dbraw/zinc/52/68/63/347526863.db2.gz NOMHEQAYPRRXAZ-OWCLPIDISA-N 2 0 274.408 2.670 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000090578015 347552500 /nfs/dbraw/zinc/55/25/00/347552500.db2.gz BMTSEZKJXRESKV-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000090666847 347554255 /nfs/dbraw/zinc/55/42/55/347554255.db2.gz NLRYNKHKXQIHMZ-KZNAEPCWSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)CSCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000090881919 347560674 /nfs/dbraw/zinc/56/06/74/347560674.db2.gz AEUVRRQFSVSXCQ-KGLIPLIRSA-N 2 0 258.475 2.696 20 0 CFADRP C[N@H+](CCNc1cc[nH+]c2cc(F)ccc12)C1CC1 ZINC000091459565 347588137 /nfs/dbraw/zinc/58/81/37/347588137.db2.gz KPQIQNGOSRNBBT-UHFFFAOYSA-N 2 0 259.328 2.880 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCCn1ccnc1 ZINC000093516215 347678960 /nfs/dbraw/zinc/67/89/60/347678960.db2.gz FCURYBUGIYOTNZ-CVEARBPZSA-N 2 0 278.444 2.564 20 0 CFADRP C[N@H+](Cc1ccnc2ccccc12)CC(C)(C)C[NH3+] ZINC000093861208 347686216 /nfs/dbraw/zinc/68/62/16/347686216.db2.gz CHPQGSHRFDKKLM-UHFFFAOYSA-N 2 0 257.381 2.652 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCS2 ZINC000094009814 347690178 /nfs/dbraw/zinc/69/01/78/347690178.db2.gz HQVBNDZONMTGSE-CQSZACIVSA-N 2 0 280.412 2.952 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000093210084 347665291 /nfs/dbraw/zinc/66/52/91/347665291.db2.gz REAVKIFURDFVRJ-UONOGXRCSA-N 2 0 252.789 2.742 20 0 CFADRP CCC[NH+]1CCC(NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000121940116 347813096 /nfs/dbraw/zinc/81/30/96/347813096.db2.gz SFTGKUAIMWRTIX-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000124516390 347823941 /nfs/dbraw/zinc/82/39/41/347823941.db2.gz GXUTZONIHYESPQ-JSGCOSHPSA-N 2 0 282.815 2.921 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)C1CC[NH+](C)CC1 ZINC000396462126 539579970 /nfs/dbraw/zinc/57/99/70/539579970.db2.gz QHNNJZYWJXNBHJ-SJCJKPOMSA-N 2 0 273.424 2.576 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000132299870 347883313 /nfs/dbraw/zinc/88/33/13/347883313.db2.gz UPUCVUBBWVTIFW-QWHCGFSZSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)C1CC[NH+](C)CC1 ZINC000090572542 539591115 /nfs/dbraw/zinc/59/11/15/539591115.db2.gz MDZDKKCLLODZOA-CQSZACIVSA-N 2 0 290.455 2.818 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000090586537 539591742 /nfs/dbraw/zinc/59/17/42/539591742.db2.gz FMFRGPWCHHVJTL-IRXDYDNUSA-N 3 0 295.515 2.674 20 0 CFADRP CC[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000157677638 348001733 /nfs/dbraw/zinc/00/17/33/348001733.db2.gz LZXAGRSLXCLCCG-INIZCTEOSA-N 2 0 276.449 2.660 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3CCCC3)CC2)C[C@H](C)O1 ZINC000171304709 348074380 /nfs/dbraw/zinc/07/43/80/348074380.db2.gz GZYCNWBRRHJSIH-IYBDPMFKSA-N 2 0 294.483 2.998 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000226434867 348183542 /nfs/dbraw/zinc/18/35/42/348183542.db2.gz HXIKGNMGLGNVOU-WMLDXEAASA-N 2 0 258.409 2.995 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000226683628 348184842 /nfs/dbraw/zinc/18/48/42/348184842.db2.gz JLZRCWOANKSXGA-CVEARBPZSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000229664210 348202633 /nfs/dbraw/zinc/20/26/33/348202633.db2.gz DOXRCWHNRHCNFA-WFASDCNBSA-N 2 0 257.381 2.740 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000229664228 348202784 /nfs/dbraw/zinc/20/27/84/348202784.db2.gz DOXRCWHNRHCNFA-SWLSCSKDSA-N 2 0 257.381 2.740 20 0 CFADRP Cc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000257712315 348306790 /nfs/dbraw/zinc/30/67/90/348306790.db2.gz TXHZDRCYPITOJT-KRWDZBQOSA-N 2 0 258.409 2.613 20 0 CFADRP CSC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000311500372 348413245 /nfs/dbraw/zinc/41/32/45/348413245.db2.gz PUDALEVLKUAFEZ-UHFFFAOYSA-N 2 0 276.449 2.660 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000311898584 348415593 /nfs/dbraw/zinc/41/55/93/348415593.db2.gz BXMIGNGAPWJLMS-AWEZNQCLSA-N 2 0 264.413 2.763 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000312520874 348419009 /nfs/dbraw/zinc/41/90/09/348419009.db2.gz FXNAZFVRFUMZKU-MRXNPFEDSA-N 2 0 294.826 2.794 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000394307033 348548742 /nfs/dbraw/zinc/54/87/42/348548742.db2.gz GGILVHVOBGOVNC-UHFFFAOYSA-N 2 0 269.392 2.796 20 0 CFADRP FC1(F)CC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000381008207 348525956 /nfs/dbraw/zinc/52/59/56/348525956.db2.gz WLYSVXTUAHTOQK-GXTWGEPZSA-N 2 0 272.383 2.886 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000401930155 348579756 /nfs/dbraw/zinc/57/97/56/348579756.db2.gz VMLUWLZOXZWQBR-LMSBXDPUSA-N 2 0 288.435 2.664 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)CC(F)(F)F ZINC000402505594 348582309 /nfs/dbraw/zinc/58/23/09/348582309.db2.gz BBARPUYCEZTFOM-DCAQKATOSA-N 2 0 252.324 2.825 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404272973 348590642 /nfs/dbraw/zinc/59/06/42/348590642.db2.gz LUMKUVAYRGIYLV-LSDHHAIUSA-N 2 0 284.444 2.559 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404272972 348590670 /nfs/dbraw/zinc/59/06/70/348590670.db2.gz LUMKUVAYRGIYLV-HUUCEWRRSA-N 2 0 284.444 2.559 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC000396466790 348558869 /nfs/dbraw/zinc/55/88/69/348558869.db2.gz PUYJCRXQWFVIOM-LBPRGKRZSA-N 2 0 275.371 2.517 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3CCC2CC3)CC[N@@H+]1C ZINC000400011300 348570824 /nfs/dbraw/zinc/57/08/24/348570824.db2.gz FCZYEHINHGEKMW-WCMAUXFHSA-N 2 0 250.430 2.885 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000336400938 282976031 /nfs/dbraw/zinc/97/60/31/282976031.db2.gz XNPYZPRIKVVSCH-HNNXBMFYSA-N 2 0 262.372 2.647 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090764397 539656373 /nfs/dbraw/zinc/65/63/73/539656373.db2.gz DDIJLFYBUWWMOW-VXGBXAGGSA-N 2 0 279.428 2.715 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000230678373 539659429 /nfs/dbraw/zinc/65/94/29/539659429.db2.gz PTDFJGWMUYKLHD-RYUDHWBXSA-N 2 0 267.442 2.567 20 0 CFADRP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000584684134 348704708 /nfs/dbraw/zinc/70/47/08/348704708.db2.gz UXDVQMKSFBUFAX-HZPDHXFCSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091937399 539670729 /nfs/dbraw/zinc/67/07/29/539670729.db2.gz CIIKPNIOKLIQRK-HUUCEWRRSA-N 2 0 276.424 3.000 20 0 CFADRP CC[NH+]1CCC([NH2+]Cc2ccc3cccnc3c2)CC1 ZINC000589636985 348844554 /nfs/dbraw/zinc/84/45/54/348844554.db2.gz UGGBEJVIEYNMNS-UHFFFAOYSA-N 2 0 269.392 2.809 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000231791247 539680897 /nfs/dbraw/zinc/68/08/97/539680897.db2.gz VZKCWRSLYSLMMO-ZJUUUORDSA-N 2 0 252.324 2.647 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1C[C@H]1C ZINC000414064489 233157118 /nfs/dbraw/zinc/15/71/18/233157118.db2.gz DYEPEAOZMWEPCK-IJEWVQPXSA-N 2 0 276.424 2.761 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C(=O)OC)cc1 ZINC000591578265 349031594 /nfs/dbraw/zinc/03/15/94/349031594.db2.gz IHUYSGHIFSYNFP-JKSUJKDBSA-N 2 0 290.407 2.656 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000591712867 349038977 /nfs/dbraw/zinc/03/89/77/349038977.db2.gz YSZFXWNMNBCBTQ-OAHLLOKOSA-N 2 0 286.423 2.773 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414173782 233186702 /nfs/dbraw/zinc/18/67/02/233186702.db2.gz GCECWCHIQHEFIT-GJZGRUSLSA-N 2 0 261.413 2.773 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CSCC1CC[NH2+]CC1 ZINC000592175276 349095297 /nfs/dbraw/zinc/09/52/97/349095297.db2.gz JBPSDQATNWOILL-HNNXBMFYSA-N 2 0 270.486 2.982 20 0 CFADRP CC[C@@H]1C[N@H+](CCSCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592427557 349118846 /nfs/dbraw/zinc/11/88/46/349118846.db2.gz CCVIKJWTQHWKCY-CVEARBPZSA-N 2 0 278.465 2.979 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000592471134 349126540 /nfs/dbraw/zinc/12/65/40/349126540.db2.gz ZIGGGQFMWQOUFS-AAVRWANBSA-N 2 0 270.486 2.742 20 0 CFADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@@H]1C ZINC000593645836 349303065 /nfs/dbraw/zinc/30/30/65/349303065.db2.gz KGABXOPIIVHKQA-OWCLPIDISA-N 2 0 298.471 2.532 20 0 CFADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@H]1C ZINC000593645835 349303245 /nfs/dbraw/zinc/30/32/45/349303245.db2.gz KGABXOPIIVHKQA-JYJNAYRXSA-N 2 0 298.471 2.532 20 0 CFADRP Cc1occc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414369669 233239520 /nfs/dbraw/zinc/23/95/20/233239520.db2.gz VCRRJNLWICIGBJ-UHFFFAOYSA-N 2 0 285.391 2.989 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000597254935 350073574 /nfs/dbraw/zinc/07/35/74/350073574.db2.gz DTNDSUBMFVYBAN-RBSFLKMASA-N 2 0 268.470 2.592 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000597254937 350073617 /nfs/dbraw/zinc/07/36/17/350073617.db2.gz DTNDSUBMFVYBAN-SOUVJXGZSA-N 2 0 268.470 2.592 20 0 CFADRP COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000090724030 180032923 /nfs/dbraw/zinc/03/29/23/180032923.db2.gz SLEAHCYPHZDXFV-VBQJREDUSA-N 2 0 276.424 2.822 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CC[N@@H+]1C ZINC000090720489 180030690 /nfs/dbraw/zinc/03/06/90/180030690.db2.gz ALXUYVAAOFDZGQ-OCCSQVGLSA-N 2 0 257.381 2.740 20 0 CFADRP c1coc([C@@H]2C[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000414576936 233296990 /nfs/dbraw/zinc/29/69/90/233296990.db2.gz GTKKEMYBYHFCJD-HZPDHXFCSA-N 2 0 283.375 2.789 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414663416 233318600 /nfs/dbraw/zinc/31/86/00/233318600.db2.gz SBLWCQGNMZUXJG-HJWJTTGWSA-N 2 0 258.409 2.849 20 0 CFADRP CC[C@]1(C)CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000399290200 539768228 /nfs/dbraw/zinc/76/82/28/539768228.db2.gz AKYFQYRSJKCMEW-QGZVFWFLSA-N 2 0 258.409 2.954 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091284911 180121766 /nfs/dbraw/zinc/12/17/66/180121766.db2.gz NVDVBQAVNBLSGL-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)CC[NH2+]1 ZINC000414689458 233328184 /nfs/dbraw/zinc/32/81/84/233328184.db2.gz GIHMZALTXOOCET-YFHUEUNASA-N 2 0 288.435 2.837 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414694775 233329434 /nfs/dbraw/zinc/32/94/34/233329434.db2.gz NUAJGJRBEMQCKG-IIAWOOMASA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccccc3OC[C@@H]2C)CC[NH2+]1 ZINC000414752831 233342492 /nfs/dbraw/zinc/34/24/92/233342492.db2.gz CUGADQVEBHIKKH-QLFBSQMISA-N 2 0 274.408 2.658 20 0 CFADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414710199 233334967 /nfs/dbraw/zinc/33/49/67/233334967.db2.gz PSBIFKYHXPDMQA-ATNYBXOESA-N 2 0 288.435 2.699 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)on1 ZINC000414717447 233337376 /nfs/dbraw/zinc/33/73/76/233337376.db2.gz ZLGOBUBSGDDOOH-XBFCOCLRSA-N 2 0 263.385 2.508 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000414800457 233355964 /nfs/dbraw/zinc/35/59/64/233355964.db2.gz IDGQEOWYHARHKE-NSHDSACASA-N 2 0 252.427 2.666 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000414800419 233356433 /nfs/dbraw/zinc/35/64/33/233356433.db2.gz KTQGHRLBPVARAJ-CHWSQXEVSA-N 2 0 254.324 2.841 20 0 CFADRP C[C@H](C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000414778381 233347822 /nfs/dbraw/zinc/34/78/22/233347822.db2.gz PWHNJXBPCWJUKD-OLMNPRSZSA-N 2 0 288.435 2.618 20 0 CFADRP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414777254 233348337 /nfs/dbraw/zinc/34/83/37/233348337.db2.gz HVOYVKMWEHUEIA-ZBFHGGJFSA-N 2 0 276.399 2.956 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788551 233351877 /nfs/dbraw/zinc/35/18/77/233351877.db2.gz XATPPVAXXFGNIW-NVXWUHKLSA-N 2 0 258.409 2.817 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000414791135 233352636 /nfs/dbraw/zinc/35/26/36/233352636.db2.gz AZCTVJMJKHCQMV-HUUCEWRRSA-N 2 0 264.438 2.637 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414847406 233376735 /nfs/dbraw/zinc/37/67/35/233376735.db2.gz VUKJEPXNPWBXLG-UKRRQHHQSA-N 2 0 264.388 2.736 20 0 CFADRP C[C@H](C[NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414850135 233376792 /nfs/dbraw/zinc/37/67/92/233376792.db2.gz YUCDIMIRBLYXAA-KGLIPLIRSA-N 2 0 264.388 2.909 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000414805811 233358612 /nfs/dbraw/zinc/35/86/12/233358612.db2.gz PUMJIZCHZVGADI-ZFWWWQNUSA-N 2 0 250.361 2.741 20 0 CFADRP CCn1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c2ccccc21 ZINC000414808955 233361650 /nfs/dbraw/zinc/36/16/50/233361650.db2.gz SVQCUCFNDGSGDG-UKRRQHHQSA-N 2 0 286.423 2.663 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414809344 233361679 /nfs/dbraw/zinc/36/16/79/233361679.db2.gz GJELDWWOELJZIH-XJKSGUPXSA-N 2 0 264.413 2.857 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414811469 233361872 /nfs/dbraw/zinc/36/18/72/233361872.db2.gz WLAKODFEVQQGLP-WFASDCNBSA-N 2 0 250.361 2.741 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414827259 233368150 /nfs/dbraw/zinc/36/81/50/233368150.db2.gz KFDQBPKLDPOPQD-KTFSGNIMSA-N 2 0 258.409 2.880 20 0 CFADRP c1ccc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000414827846 233369516 /nfs/dbraw/zinc/36/95/16/233369516.db2.gz KTJPIGRQJRJOSQ-MHYDHLEJSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828670 233369784 /nfs/dbraw/zinc/36/97/84/233369784.db2.gz JFCYABNMSAKICC-QWRGUYRKSA-N 2 0 252.324 2.697 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414831636 233370687 /nfs/dbraw/zinc/37/06/87/233370687.db2.gz DIASWRCBPGXWFG-INIZCTEOSA-N 2 0 298.434 2.660 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414833080 233370979 /nfs/dbraw/zinc/37/09/79/233370979.db2.gz GBRSGXXSUXZWLI-ZDUSSCGKSA-N 2 0 250.361 2.613 20 0 CFADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1OC ZINC000105454907 186057616 /nfs/dbraw/zinc/05/76/16/186057616.db2.gz GBQGGCOCUZRIQS-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@H]1CCc2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000414832577 233371528 /nfs/dbraw/zinc/37/15/28/233371528.db2.gz FFUCIORWUGFMKH-OLZOCXBDSA-N 2 0 293.480 2.747 20 0 CFADRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)cc(OC)c1 ZINC000105455147 186057970 /nfs/dbraw/zinc/05/79/70/186057970.db2.gz ZSCXVACMTGEHFS-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP Clc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000414833168 233371953 /nfs/dbraw/zinc/37/19/53/233371953.db2.gz PIDHMARAMQQOEE-LBPRGKRZSA-N 2 0 289.810 2.977 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414840177 233374465 /nfs/dbraw/zinc/37/44/65/233374465.db2.gz YCKNGGFDMDBFLC-SQNIBIBYSA-N 2 0 272.436 2.987 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414843847 233374949 /nfs/dbraw/zinc/37/49/49/233374949.db2.gz CZLJSYPCHHAVDL-GFCCVEGCSA-N 2 0 284.350 2.767 20 0 CFADRP c1csc(-c2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000414842949 233375035 /nfs/dbraw/zinc/37/50/35/233375035.db2.gz ZTFMZISUPVZECB-NSHDSACASA-N 2 0 293.461 2.961 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414875996 233386767 /nfs/dbraw/zinc/38/67/67/233386767.db2.gz KQCBUMNCRIMZEQ-ZJUUUORDSA-N 2 0 260.834 2.907 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH3+])c(Cl)c1 ZINC000414880038 233388049 /nfs/dbraw/zinc/38/80/49/233388049.db2.gz QKKKJYCOAMDORX-NEPJUHHUSA-N 2 0 297.830 2.550 20 0 CFADRP COc1ccc(C[NH2+]CC2([NH3+])CCC2)c2ccccc12 ZINC000414892659 233390503 /nfs/dbraw/zinc/39/05/03/233390503.db2.gz XFVVSHDLFNEUNP-UHFFFAOYSA-N 2 0 270.376 2.819 20 0 CFADRP C[C@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000414897995 233392914 /nfs/dbraw/zinc/39/29/14/233392914.db2.gz AORFWHAUICWBAW-RDJZCZTQSA-N 2 0 260.425 2.845 20 0 CFADRP Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2ccccc2)n1 ZINC000414898208 233393144 /nfs/dbraw/zinc/39/31/44/233393144.db2.gz AYOHJONBTKANQN-GOSISDBHSA-N 2 0 298.434 2.566 20 0 CFADRP c1cc(OCC2CC2)ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414909034 233395706 /nfs/dbraw/zinc/39/57/06/233395706.db2.gz SKFRDCCBPXYGKL-MRXNPFEDSA-N 2 0 274.408 2.707 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000414908208 233396368 /nfs/dbraw/zinc/39/63/68/233396368.db2.gz RKEBUCZCUIZUJC-PQEBFOHHSA-N 2 0 258.409 2.910 20 0 CFADRP Cn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000414912132 233397272 /nfs/dbraw/zinc/39/72/72/233397272.db2.gz VAPPVXSZBQWGKK-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP FC(F)(F)c1ncc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000414849318 233377263 /nfs/dbraw/zinc/37/72/63/233377263.db2.gz XZOBRJKGGHNBAQ-SECBINFHSA-N 2 0 293.358 2.641 20 0 CFADRP Cc1ccc(CCC[NH2+]CC2([NH3+])CCCCC2)cn1 ZINC000414850388 233377488 /nfs/dbraw/zinc/37/74/88/233377488.db2.gz YWVYTIVAYYWJKJ-UHFFFAOYSA-N 2 0 261.413 2.574 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000414852624 233378077 /nfs/dbraw/zinc/37/80/77/233378077.db2.gz WDXKXICXMIBBFV-ULQDDVLXSA-N 2 0 258.409 2.739 20 0 CFADRP FC(F)Oc1ccccc1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414854329 233379256 /nfs/dbraw/zinc/37/92/56/233379256.db2.gz UAUHOSOXVMOKRF-LBPRGKRZSA-N 2 0 284.350 2.767 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414853556 233379484 /nfs/dbraw/zinc/37/94/84/233379484.db2.gz KZNVEDWMYWHBNC-KGLIPLIRSA-N 2 0 264.388 2.736 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414856757 233380154 /nfs/dbraw/zinc/38/01/54/233380154.db2.gz ZEKXGIPMWNEJHC-LBPRGKRZSA-N 2 0 282.815 2.828 20 0 CFADRP FC(F)COc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000414977376 233421762 /nfs/dbraw/zinc/42/17/62/233421762.db2.gz RKISATLTMQRYOZ-CQSZACIVSA-N 2 0 298.377 2.952 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000414921734 233399849 /nfs/dbraw/zinc/39/98/49/233399849.db2.gz FSUZJBDJBZOQIB-RYUDHWBXSA-N 2 0 256.752 2.839 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000092043637 180311240 /nfs/dbraw/zinc/31/12/40/180311240.db2.gz YAGHQBVJXHEHNQ-KBPBESRZSA-N 2 0 250.411 2.664 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598966301 350351299 /nfs/dbraw/zinc/35/12/99/350351299.db2.gz USGITUXQMHZITA-STQMWFEESA-N 2 0 258.475 2.981 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000414999799 233430663 /nfs/dbraw/zinc/43/06/63/233430663.db2.gz SMYQCACYDRENNJ-GXTWGEPZSA-N 2 0 287.382 2.981 20 0 CFADRP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415003351 233431432 /nfs/dbraw/zinc/43/14/32/233431432.db2.gz WZWDWPOMBSEHPZ-GXTWGEPZSA-N 2 0 250.361 2.741 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415046840 233446474 /nfs/dbraw/zinc/44/64/74/233446474.db2.gz VJUUIJZMLMBSQI-RYUDHWBXSA-N 2 0 270.323 2.505 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)c1 ZINC000415084945 233460764 /nfs/dbraw/zinc/46/07/64/233460764.db2.gz RZGQBIKSUXXILG-OWCLPIDISA-N 2 0 276.424 2.883 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CCc2ccc(Cl)s2)CC[NH2+]1 ZINC000415083287 233459847 /nfs/dbraw/zinc/45/98/47/233459847.db2.gz MWGGNTLFKGCWDY-GHMZBOCLSA-N 2 0 272.845 2.922 20 0 CFADRP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415033490 233442080 /nfs/dbraw/zinc/44/20/80/233442080.db2.gz ITJDCLCESDSRKG-ARKGTOAJSA-N 2 0 276.811 2.784 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000415035043 233443171 /nfs/dbraw/zinc/44/31/71/233443171.db2.gz KJWUGOVHIXXQAO-YPMHNXCESA-N 2 0 297.240 2.975 20 0 CFADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340480668 282695075 /nfs/dbraw/zinc/69/50/75/282695075.db2.gz UCCVRNYFMLQZCL-MRXNPFEDSA-N 2 0 290.455 2.653 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1F ZINC000106410253 186115662 /nfs/dbraw/zinc/11/56/62/186115662.db2.gz LFAWRQAVQXBKRD-ZDUSSCGKSA-N 2 0 264.388 2.956 20 0 CFADRP Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(-c2cccnc2)n1 ZINC000108351504 186212349 /nfs/dbraw/zinc/21/23/49/186212349.db2.gz MOIYACKFPOPNOE-AWEZNQCLSA-N 2 0 297.406 2.601 20 0 CFADRP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH+](CC2CC2)CC1 ZINC000668783951 539801963 /nfs/dbraw/zinc/80/19/63/539801963.db2.gz XWRBRKHYAGHQBQ-IKGGRYGDSA-N 2 0 262.441 2.887 20 0 CFADRP CCc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)s1 ZINC000108879751 186234192 /nfs/dbraw/zinc/23/41/92/186234192.db2.gz UVHZVDCPHLGUEF-SMDDNHRTSA-N 2 0 252.427 2.740 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000600705832 350598469 /nfs/dbraw/zinc/59/84/69/350598469.db2.gz AZZCWWITQAQHCT-RUXDESIVSA-N 2 0 268.470 2.782 20 0 CFADRP CC(C)C(C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000668785193 539802742 /nfs/dbraw/zinc/80/27/42/539802742.db2.gz NMWSAJVWTSXWIJ-MRXNPFEDSA-N 2 0 284.488 2.957 20 0 CFADRP C[C@H]1CC[C@@H](NCCSCc2ccccc2)C[NH2+]1 ZINC000600776049 350609292 /nfs/dbraw/zinc/60/92/92/350609292.db2.gz OFQXRJMHTLYSKQ-DZGCQCFKSA-N 2 0 264.438 2.650 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000110650449 186310930 /nfs/dbraw/zinc/31/09/30/186310930.db2.gz CWKQEFIXTVRFPS-LBPRGKRZSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000110650442 186310987 /nfs/dbraw/zinc/31/09/87/186310987.db2.gz ZZTYBEQCPBBVPW-LBPRGKRZSA-N 2 0 282.815 2.778 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)s1 ZINC000110645732 186308438 /nfs/dbraw/zinc/30/84/38/186308438.db2.gz LJNDXCCIHGPMPH-LLVKDONJSA-N 2 0 252.427 2.924 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1C ZINC000110645386 186309268 /nfs/dbraw/zinc/30/92/68/186309268.db2.gz BDLHLPARNDAMAL-CYBMUJFWSA-N 2 0 262.397 2.563 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000110649673 186309991 /nfs/dbraw/zinc/30/99/91/186309991.db2.gz VIJXHVLRDBJHJH-GFCCVEGCSA-N 2 0 287.382 2.933 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)O ZINC000309808761 539806027 /nfs/dbraw/zinc/80/60/27/539806027.db2.gz VSNWPFXVOPCINY-UXLLHSPISA-N 2 0 290.451 2.646 20 0 CFADRP CSC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000602922327 351067232 /nfs/dbraw/zinc/06/72/32/351067232.db2.gz HRNSQZZUMNVWJZ-UHFFFAOYSA-N 2 0 256.459 2.690 20 0 CFADRP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000602750679 351013997 /nfs/dbraw/zinc/01/39/97/351013997.db2.gz AFGGQCQMYZTFOH-YMAMQOFZSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268943787 535160033 /nfs/dbraw/zinc/16/00/33/535160033.db2.gz UCLWYTGPIKXADV-BPQIPLTHSA-N 2 0 290.451 2.504 20 0 CFADRP C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000611367685 351675297 /nfs/dbraw/zinc/67/52/97/351675297.db2.gz QFGRVEVXIRFZFV-CQSZACIVSA-N 2 0 298.471 2.818 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccccn2)CC1 ZINC000123213480 187077976 /nfs/dbraw/zinc/07/79/76/187077976.db2.gz QNEHLRSUPYFUGR-UHFFFAOYSA-N 2 0 261.413 2.635 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccn(C)c1 ZINC000123296492 187083188 /nfs/dbraw/zinc/08/31/88/187083188.db2.gz NKQQXHVZLBUSLL-OAHLLOKOSA-N 2 0 263.429 2.769 20 0 CFADRP CSCCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123357602 187087502 /nfs/dbraw/zinc/08/75/02/187087502.db2.gz RCDXPFFSCYRYEJ-UHFFFAOYSA-N 2 0 258.475 2.793 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCOC)c1 ZINC000123988536 187117874 /nfs/dbraw/zinc/11/78/74/187117874.db2.gz QBCKCDDEOIMRBH-AWEZNQCLSA-N 2 0 264.413 2.653 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCF ZINC000271475935 191160355 /nfs/dbraw/zinc/16/03/55/191160355.db2.gz HXTUWEBAAVWIHS-GOEBONIOSA-N 2 0 264.388 2.846 20 0 CFADRP CCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000311712729 539850441 /nfs/dbraw/zinc/85/04/41/539850441.db2.gz WFITUWRWGDIEAF-CQSZACIVSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(F)c2F)[C@@H](C)C1 ZINC000271523614 191190784 /nfs/dbraw/zinc/19/07/84/191190784.db2.gz VGVOLBVUNIBGPX-SWLSCSKDSA-N 2 0 282.378 2.827 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292148052 198181034 /nfs/dbraw/zinc/18/10/34/198181034.db2.gz NFWFKQZOZCGRIO-KRWDZBQOSA-N 2 0 258.409 2.777 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292152126 198183321 /nfs/dbraw/zinc/18/33/21/198183321.db2.gz NQIKLQMVLNICAX-KRWDZBQOSA-N 2 0 258.409 2.831 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424366968 295850538 /nfs/dbraw/zinc/85/05/38/295850538.db2.gz KAVUDUMWIFZZPX-HBNTYKKESA-N 2 0 252.324 2.967 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)C1 ZINC000153098939 539945344 /nfs/dbraw/zinc/94/53/44/539945344.db2.gz ULYUTMUFUUXCQZ-OIISXLGYSA-N 2 0 280.456 2.798 20 0 CFADRP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152449236 188019254 /nfs/dbraw/zinc/01/92/54/188019254.db2.gz RJMGKEROUZBASS-PBHICJAKSA-N 2 0 286.419 2.974 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152230434 188003626 /nfs/dbraw/zinc/00/36/26/188003626.db2.gz FWADYYWYHXJUEF-NVXWUHKLSA-N 2 0 298.434 2.692 20 0 CFADRP CC[C@H](COC)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152899776 188051437 /nfs/dbraw/zinc/05/14/37/188051437.db2.gz PKCWCPJRUOSRHZ-GOEBONIOSA-N 2 0 294.439 2.703 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000154311716 188135119 /nfs/dbraw/zinc/13/51/19/188135119.db2.gz UQIXMEOMJICHLU-HNNXBMFYSA-N 2 0 293.430 2.504 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2OC)[C@H](C)C1 ZINC000154552804 188149970 /nfs/dbraw/zinc/14/99/70/188149970.db2.gz NXVHOMPLDQTJKG-ZBFHGGJFSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000155086303 188181537 /nfs/dbraw/zinc/18/15/37/188181537.db2.gz COYBABKXUQKGJJ-KBPBESRZSA-N 2 0 295.858 2.627 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N(C)c1ccccc1 ZINC000156146498 188244820 /nfs/dbraw/zinc/24/48/20/188244820.db2.gz KPMCGMFBWUJQFZ-KYHPRHEASA-N 2 0 289.467 2.830 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621248115 353307919 /nfs/dbraw/zinc/30/79/19/353307919.db2.gz VNGLVCWXWCXFAU-UHFFFAOYSA-N 2 0 267.804 2.509 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccncc1 ZINC000156538760 188267809 /nfs/dbraw/zinc/26/78/09/188267809.db2.gz KRUXZDGOUBGTRH-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000156611774 188272265 /nfs/dbraw/zinc/27/22/65/188272265.db2.gz QRALMYYWSDYERX-LSDHHAIUSA-N 2 0 261.413 2.853 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000156868404 188285353 /nfs/dbraw/zinc/28/53/53/188285353.db2.gz IRYRGIVAACZFOO-SFHVURJKSA-N 2 0 290.451 2.707 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2)CC[N@@H+]1C ZINC000157065008 188295261 /nfs/dbraw/zinc/29/52/61/188295261.db2.gz PSZTUMFTWQJSOK-IUODEOHRSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2cnccc2c1 ZINC000235071678 539997010 /nfs/dbraw/zinc/99/70/10/539997010.db2.gz CFKYEZDXISZBON-ZDUSSCGKSA-N 2 0 257.381 2.665 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC(C)C2)[C@H](C)C1 ZINC000621772119 353421732 /nfs/dbraw/zinc/42/17/32/353421732.db2.gz YUEWCHOFQSRVEU-MNAZLIDISA-N 2 0 282.472 2.759 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000621775637 353422378 /nfs/dbraw/zinc/42/23/78/353422378.db2.gz VGFUTPBKFLWXJL-SJORKVTESA-N 2 0 273.424 2.602 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000621776156 353422430 /nfs/dbraw/zinc/42/24/30/353422430.db2.gz DDURILQGEYPGQR-HNNXBMFYSA-N 2 0 293.842 2.947 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1nccnc1C ZINC000621727835 353408479 /nfs/dbraw/zinc/40/84/79/353408479.db2.gz SABZLYMGABLQSH-UHFFFAOYSA-N 2 0 298.434 2.869 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2CC(CC3CC3)C2)cc1 ZINC000621740323 353416495 /nfs/dbraw/zinc/41/64/95/353416495.db2.gz KDASNHMOTJWYED-UHFFFAOYSA-N 2 0 288.435 2.859 20 0 CFADRP Cc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158517421 188380158 /nfs/dbraw/zinc/38/01/58/188380158.db2.gz CLFSAECGMKZXJG-SJLPKXTDSA-N 2 0 288.435 2.790 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623358667 353624728 /nfs/dbraw/zinc/62/47/28/353624728.db2.gz MBQTVXRFCLWJMI-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)Oc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623360107 353624814 /nfs/dbraw/zinc/62/48/14/353624814.db2.gz VMTKIMGQKPXTOU-OAHLLOKOSA-N 2 0 291.439 2.831 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623358809 353624858 /nfs/dbraw/zinc/62/48/58/353624858.db2.gz STUJCGQBBFEQFF-QGZVFWFLSA-N 3 0 295.515 2.961 20 0 CFADRP c1[nH]nc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c12 ZINC000623363264 353625553 /nfs/dbraw/zinc/62/55/53/353625553.db2.gz KJKWKBXZNGOVQD-UHFFFAOYSA-N 2 0 284.407 2.527 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)CC1(C)C ZINC000623369816 353627264 /nfs/dbraw/zinc/62/72/64/353627264.db2.gz RWOQQQBFNXISEY-CQSZACIVSA-N 2 0 280.387 2.667 20 0 CFADRP Cc1csc([C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623398733 353634924 /nfs/dbraw/zinc/63/49/24/353634924.db2.gz NKLDOVNWUFASSR-VXGBXAGGSA-N 2 0 267.442 2.975 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3O)CC1(C)C ZINC000623405563 353635733 /nfs/dbraw/zinc/63/57/33/353635733.db2.gz NYEGTPDCZKLPHZ-WFASDCNBSA-N 2 0 274.408 2.842 20 0 CFADRP Cc1ccc2nc(CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)cn2c1 ZINC000623402365 353635799 /nfs/dbraw/zinc/63/57/99/353635799.db2.gz IBDWRZALMCNHRY-CQSZACIVSA-N 2 0 286.423 2.605 20 0 CFADRP COC[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623418131 353638697 /nfs/dbraw/zinc/63/86/97/353638697.db2.gz CWFPPNVYURXNNO-CVEARBPZSA-N 2 0 276.424 2.837 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623417815 353638948 /nfs/dbraw/zinc/63/89/48/353638948.db2.gz RAWWGFQJGMHILS-CVEARBPZSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(O)cc2)CC1(C)C ZINC000623424203 353640952 /nfs/dbraw/zinc/64/09/52/353640952.db2.gz GQWFWHNNGYPWHM-HNNXBMFYSA-N 2 0 276.424 2.787 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)CC1(C)C ZINC000623428202 353641206 /nfs/dbraw/zinc/64/12/06/353641206.db2.gz BTQXOVOGMWIFFZ-IAGOWNOFSA-N 2 0 290.451 2.615 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000623428980 353642647 /nfs/dbraw/zinc/64/26/47/353642647.db2.gz HMTAIPCRFOXYQW-HUUCEWRRSA-N 2 0 261.413 2.995 20 0 CFADRP C[C@H](CCc1cccn1C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623432351 353643358 /nfs/dbraw/zinc/64/33/58/353643358.db2.gz NXAUELCHJGFFCR-HUUCEWRRSA-N 2 0 277.456 2.809 20 0 CFADRP C[N@@H+]1CC[C@H](NCc2ccc(Cl)o2)CC1(C)C ZINC000623339438 353618439 /nfs/dbraw/zinc/61/84/39/353618439.db2.gz ZWNXCALMKDAWBI-JTQLQIEISA-N 2 0 256.777 2.895 20 0 CFADRP COc1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623344009 353619755 /nfs/dbraw/zinc/61/97/55/353619755.db2.gz UGXRDZNIADTCLE-CQSZACIVSA-N 2 0 292.423 2.536 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)CC1(C)C ZINC000623504613 353658990 /nfs/dbraw/zinc/65/89/90/353658990.db2.gz WJYSCDMKLMOATM-CYBMUJFWSA-N 2 0 282.378 2.970 20 0 CFADRP C[NH+]1CC[C@H](NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1(C)C ZINC000623510388 353660356 /nfs/dbraw/zinc/66/03/56/353660356.db2.gz VFJMXKMJVPSEJP-GJZGRUSLSA-N 2 0 281.488 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC1(C)C ZINC000623512633 353661264 /nfs/dbraw/zinc/66/12/64/353661264.db2.gz OZMYKSQCTOLFRA-RYUDHWBXSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccn3)CCC2)CC1(C)C ZINC000623523908 353662504 /nfs/dbraw/zinc/66/25/04/353662504.db2.gz ULACIJSUQXFJAT-HNNXBMFYSA-N 2 0 287.451 2.966 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCSC2)CC1(C)C ZINC000623525555 353663154 /nfs/dbraw/zinc/66/31/54/353663154.db2.gz RKPCSEVGLSDVNT-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623536728 353666396 /nfs/dbraw/zinc/66/63/96/353666396.db2.gz ACBUNGCBXOBDEC-IHRRRGAJSA-N 2 0 256.434 2.510 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccn2)CC1(C)C ZINC000623536356 353666830 /nfs/dbraw/zinc/66/68/30/353666830.db2.gz TTZCBJGMTCWYOK-AWEZNQCLSA-N 2 0 275.440 2.822 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1(C)C ZINC000623538862 353667284 /nfs/dbraw/zinc/66/72/84/353667284.db2.gz XWEMHJINGLVKOA-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC2(F)F)CC1(C)C ZINC000623539292 353667542 /nfs/dbraw/zinc/66/75/42/353667542.db2.gz IXTLZYSOBSBADO-NEPJUHHUSA-N 2 0 260.372 2.884 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623539355 353667612 /nfs/dbraw/zinc/66/76/12/353667612.db2.gz KVMWIAISHXBPNA-JYJNAYRXSA-N 2 0 282.472 2.900 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1ccncc1Cl)C1CC1 ZINC000623544920 353668157 /nfs/dbraw/zinc/66/81/57/353668157.db2.gz RSRACDPVNLDCBM-UHFFFAOYSA-N 2 0 267.804 2.699 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)OCC2CC2)CC1(C)C ZINC000623549581 353669429 /nfs/dbraw/zinc/66/94/29/353669429.db2.gz HBFBTAWEVMABCG-CQSZACIVSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623559053 353671349 /nfs/dbraw/zinc/67/13/49/353671349.db2.gz QQGOHAQJINFUBC-KBMXLJTQSA-N 2 0 252.446 2.989 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1(C)C ZINC000623572222 353674849 /nfs/dbraw/zinc/67/48/49/353674849.db2.gz VMXBOSYVJDQRRX-QMCVQRASSA-N 2 0 270.420 2.787 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCc2ccco2)CC1(C)C ZINC000623573333 353675065 /nfs/dbraw/zinc/67/50/65/353675065.db2.gz FHHIFMJFONQVSM-CYBMUJFWSA-N 2 0 250.386 2.675 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000623574998 353676034 /nfs/dbraw/zinc/67/60/34/353676034.db2.gz FOANMAQXHCRZIS-KRWDZBQOSA-N 3 0 293.499 2.571 20 0 CFADRP Cc1ccc(F)c(CNC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656382 353697336 /nfs/dbraw/zinc/69/73/36/353697336.db2.gz SZEJNCUBOFXDEF-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623655157 353695522 /nfs/dbraw/zinc/69/55/22/353695522.db2.gz PLBBDVUWEBLRQO-OAHLLOKOSA-N 2 0 292.423 2.525 20 0 CFADRP COc1cccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623655113 353695827 /nfs/dbraw/zinc/69/58/27/353695827.db2.gz OOYKLLHRPCQXQJ-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCC1 ZINC000623484526 353654478 /nfs/dbraw/zinc/65/44/78/353654478.db2.gz VUMAQTGFFXGTLA-GJZGRUSLSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000623490735 353655904 /nfs/dbraw/zinc/65/59/04/353655904.db2.gz VODJBRILMNTLMR-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP COCC1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623657112 353698637 /nfs/dbraw/zinc/69/86/37/353698637.db2.gz JXQPMSXXQZHUAV-PCKAHOCUSA-N 2 0 268.445 2.513 20 0 CFADRP C/C=C\C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000623739267 353715194 /nfs/dbraw/zinc/71/51/94/353715194.db2.gz OTUAFWGANMSNSA-HYXAFXHYSA-N 2 0 287.451 2.884 20 0 CFADRP Cc1csc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000623998781 353779640 /nfs/dbraw/zinc/77/96/40/353779640.db2.gz AGHVFBSBUPXGAL-STQMWFEESA-N 2 0 267.442 2.834 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCCO1 ZINC000623863977 353743553 /nfs/dbraw/zinc/74/35/53/353743553.db2.gz CNMQQIZGOMCHOS-YYIAUSFCSA-N 2 0 282.472 2.902 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000623879031 353746999 /nfs/dbraw/zinc/74/69/99/353746999.db2.gz VYQLURMYTTUKGA-GDBMZVCRSA-N 2 0 268.445 2.798 20 0 CFADRP C([NH2+][C@@H]1COC2(CCC2)C1)[C@H]1CCN1C1CCCCC1 ZINC000624077883 353799588 /nfs/dbraw/zinc/79/95/88/353799588.db2.gz GHTPBIKPXVDPAF-GOEBONIOSA-N 2 0 278.440 2.695 20 0 CFADRP C([NH2+][C@H]1COC2(CCC2)C1)[C@H]1CCN1C1CCCCC1 ZINC000624077882 353800050 /nfs/dbraw/zinc/80/00/50/353800050.db2.gz GHTPBIKPXVDPAF-GDBMZVCRSA-N 2 0 278.440 2.695 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCOC1(C)C ZINC000340183465 290386273 /nfs/dbraw/zinc/38/62/73/290386273.db2.gz DHICMYIIEMVRIE-LSDHHAIUSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000624112926 353809216 /nfs/dbraw/zinc/80/92/16/353809216.db2.gz PQPAJAZQEMZCHW-LSDHHAIUSA-N 2 0 275.440 2.740 20 0 CFADRP CC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(C)cn2)CC1 ZINC000624113376 353809625 /nfs/dbraw/zinc/80/96/25/353809625.db2.gz DGZNWMURTZTWFQ-UHFFFAOYSA-N 2 0 275.440 2.742 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122574 353811604 /nfs/dbraw/zinc/81/16/04/353811604.db2.gz VWFGPNGOOFXTQQ-BZUAXINKSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1csc([C@H](C)NC[C@H]2CCCC[N@H+](C)C2)n1 ZINC000624122929 353812139 /nfs/dbraw/zinc/81/21/39/353812139.db2.gz BHDJPWHJQGOKIG-QWHCGFSZSA-N 2 0 267.442 2.834 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000624123371 353813262 /nfs/dbraw/zinc/81/32/62/353813262.db2.gz KXGUIKPMYYBRAW-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)Cc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624227546 353841403 /nfs/dbraw/zinc/84/14/03/353841403.db2.gz SUHBAQLKDOFWAG-MAUKXSAKSA-N 2 0 290.451 2.602 20 0 CFADRP CCSc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000624228903 353841441 /nfs/dbraw/zinc/84/14/41/353841441.db2.gz FVORNVSQGCWXBZ-DZGCQCFKSA-N 2 0 294.464 2.516 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000624298591 353856597 /nfs/dbraw/zinc/85/65/97/353856597.db2.gz VLAQRTWUVRQOJV-HJWJTTGWSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](CC[N@@H+]1CCc2nc[nH]c2C1)OCc1ccccc1 ZINC000625437674 354046078 /nfs/dbraw/zinc/04/60/78/354046078.db2.gz SRIYYLXQVILGNQ-CQSZACIVSA-N 2 0 285.391 2.763 20 0 CFADRP CCOCCC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062185 354183377 /nfs/dbraw/zinc/18/33/77/354183377.db2.gz KVIVVCDGNJJRMN-UHFFFAOYSA-N 2 0 278.440 2.997 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423548544 283005567 /nfs/dbraw/zinc/00/55/67/283005567.db2.gz GROQSFWGOJAKDG-MRXNPFEDSA-N 2 0 260.356 2.712 20 0 CFADRP Fc1cccc(C[C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c1 ZINC000178959417 283013886 /nfs/dbraw/zinc/01/38/86/283013886.db2.gz KLNHROQHVXIGOG-QGZVFWFLSA-N 2 0 276.399 2.832 20 0 CFADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@]1(C)CCCS1 ZINC000628140144 354444286 /nfs/dbraw/zinc/44/42/86/354444286.db2.gz BGHBOTXSTLBFAV-KGLIPLIRSA-N 2 0 256.459 2.546 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3n[nH]cc32)C1 ZINC000628186217 354466720 /nfs/dbraw/zinc/46/67/20/354466720.db2.gz BVQDGQKBYWSLHT-OAHLLOKOSA-N 2 0 298.434 2.727 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC(F)(F)C1 ZINC000628204121 354475122 /nfs/dbraw/zinc/47/51/22/354475122.db2.gz LEEGZYVSDPTAAK-WCFLWFBJSA-N 2 0 258.356 2.637 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000628202708 354475756 /nfs/dbraw/zinc/47/57/56/354475756.db2.gz DXBKDYFFWSUMPK-CYBMUJFWSA-N 2 0 265.401 2.585 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000628209270 354476990 /nfs/dbraw/zinc/47/69/90/354476990.db2.gz WSVLJOVCIKRALU-MRXNPFEDSA-N 2 0 290.451 2.535 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628220817 354483693 /nfs/dbraw/zinc/48/36/93/354483693.db2.gz KWDLRCKVHNTDSV-OAHLLOKOSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000628233884 354492205 /nfs/dbraw/zinc/49/22/05/354492205.db2.gz ZTOHWZOHIQKMKB-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000628240429 354497776 /nfs/dbraw/zinc/49/77/76/354497776.db2.gz DRZWIWIUZYALLZ-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000628240426 354497867 /nfs/dbraw/zinc/49/78/67/354497867.db2.gz DRZWIWIUZYALLZ-KSZLIROESA-N 2 0 295.515 2.818 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](C[C@@]3(C)CCCS3)C2)CC1 ZINC000628280031 354517300 /nfs/dbraw/zinc/51/73/00/354517300.db2.gz MHMSKHRMFRCAFF-JKSUJKDBSA-N 2 0 282.497 2.936 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(C4CC4)o3)C2)CC1 ZINC000628280115 354517948 /nfs/dbraw/zinc/51/79/48/354517948.db2.gz QUYDDJNVQJHYOY-HNNXBMFYSA-N 2 0 289.423 2.716 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000628322677 354545225 /nfs/dbraw/zinc/54/52/25/354545225.db2.gz IMAXFGKFHQHLHW-IAGOWNOFSA-N 2 0 294.483 2.999 20 0 CFADRP C/C=C/C[C@H]1CCC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628494831 354609117 /nfs/dbraw/zinc/60/91/17/354609117.db2.gz AKEIVSGSOMVPKO-GJBLVYBDSA-N 2 0 276.428 2.664 20 0 CFADRP [NH3+]C1(C[NH2+]C2CCC(c3ccccc3)CC2)CCOCC1 ZINC000629386924 354799252 /nfs/dbraw/zinc/79/92/52/354799252.db2.gz APKXYOJAXSXNFM-UHFFFAOYSA-N 2 0 288.435 2.810 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000629388647 354799336 /nfs/dbraw/zinc/79/93/36/354799336.db2.gz RECXXRBVLAMVEY-CVEARBPZSA-N 2 0 292.398 2.559 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1C ZINC000629389568 354800470 /nfs/dbraw/zinc/80/04/70/354800470.db2.gz OEHJKQVRWVDBIT-KKUMJFAQSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629397482 354802494 /nfs/dbraw/zinc/80/24/94/354802494.db2.gz WBFKLLJBGHPBMT-XYVMCAHJSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@@H](C[NH2+]CCOCCC[NH3+])CC1CCCCC1 ZINC000629399061 354803363 /nfs/dbraw/zinc/80/33/63/354803363.db2.gz BPNGVEPLZORWTC-CQSZACIVSA-N 2 0 256.434 2.548 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)CCC1CCCCC1 ZINC000629402731 354804344 /nfs/dbraw/zinc/80/43/44/354804344.db2.gz DQVCWSPCCBMIHS-CQSZACIVSA-N 2 0 256.434 2.561 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000629511893 354823953 /nfs/dbraw/zinc/82/39/53/354823953.db2.gz NFOMAZNCJBUXJG-CYBMUJFWSA-N 2 0 261.413 2.548 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000629516594 354825638 /nfs/dbraw/zinc/82/56/38/354825638.db2.gz LLDLUAIZCHEUDD-CABCVRRESA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520052 354827026 /nfs/dbraw/zinc/82/70/26/354827026.db2.gz JZLNJECERBUACS-IAGOWNOFSA-N 2 0 288.435 2.594 20 0 CFADRP CCC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629523210 354828693 /nfs/dbraw/zinc/82/86/93/354828693.db2.gz BOVXDYUFSZQBJI-HNNXBMFYSA-N 2 0 262.397 2.625 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2([NH3+])CCOCC2)C[C@@H]1c1ccccc1 ZINC000629525128 354829664 /nfs/dbraw/zinc/82/96/64/354829664.db2.gz SUAOMBUVZHFHHV-HZPDHXFCSA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccs1 ZINC000629525557 354830114 /nfs/dbraw/zinc/83/01/14/354830114.db2.gz WGRVXRQDKVOTCU-CYBMUJFWSA-N 2 0 282.453 2.933 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000629528509 354831970 /nfs/dbraw/zinc/83/19/70/354831970.db2.gz AYHUOKAZIPVMTG-CQSZACIVSA-N 2 0 272.392 2.726 20 0 CFADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCOCC[NH2+]C ZINC000629529677 354832681 /nfs/dbraw/zinc/83/26/81/354832681.db2.gz KMRCGJBNSGPZRN-CYBMUJFWSA-N 2 0 290.407 2.882 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000629530171 354832775 /nfs/dbraw/zinc/83/27/75/354832775.db2.gz XHPSAPIROOCHJY-MRXNPFEDSA-N 2 0 296.842 2.933 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000629529779 354832815 /nfs/dbraw/zinc/83/28/15/354832815.db2.gz MROUEIYSLGEZNL-OAHLLOKOSA-N 2 0 282.815 2.543 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](CC2=Cc3ccccc3OC2)C[C@@H]1C[NH3+] ZINC000629648468 354875658 /nfs/dbraw/zinc/87/56/58/354875658.db2.gz OJMLBAWSAAJHGJ-KEYYUXOJSA-N 2 0 286.419 2.768 20 0 CFADRP C[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)[C@@H]1CC[NH3+] ZINC000629649820 354876304 /nfs/dbraw/zinc/87/63/04/354876304.db2.gz HQDZEODMSSBEPG-WMLDXEAASA-N 2 0 286.419 2.912 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000629651805 354877184 /nfs/dbraw/zinc/87/71/84/354877184.db2.gz KJPOWSLAPFBDKZ-MRXNPFEDSA-N 2 0 274.408 2.768 20 0 CFADRP CC[C@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@H]1[NH3+] ZINC000629651878 354877207 /nfs/dbraw/zinc/87/72/07/354877207.db2.gz NAIBVIVDJBAFEO-GOEBONIOSA-N 2 0 272.392 2.522 20 0 CFADRP c1ccc(OCCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000629651689 354877328 /nfs/dbraw/zinc/87/73/28/354877328.db2.gz YWTHMTCYZRJFAZ-MRXNPFEDSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629652306 354877409 /nfs/dbraw/zinc/87/74/09/354877409.db2.gz ZITRQWCISQRTPW-CJNGLKHVSA-N 2 0 272.392 2.522 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000629534801 354835775 /nfs/dbraw/zinc/83/57/75/354835775.db2.gz AZOSZBWPRUJFCB-CJNGLKHVSA-N 2 0 275.440 2.930 20 0 CFADRP CC(C)[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000629539964 354838633 /nfs/dbraw/zinc/83/86/33/354838633.db2.gz SMLWFUWODCSNNU-HNNXBMFYSA-N 2 0 284.831 2.992 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(C2CC2)c1 ZINC000629540264 354838700 /nfs/dbraw/zinc/83/87/00/354838700.db2.gz VDHWEJYOYMVQPH-ZDUSSCGKSA-N 2 0 262.397 2.580 20 0 CFADRP Cc1ccc2cc([C@@H](C)[NH2+]CCOCCC[NH3+])oc2c1 ZINC000629540580 354838847 /nfs/dbraw/zinc/83/88/47/354838847.db2.gz WJVHZUPUWIQTKS-CYBMUJFWSA-N 2 0 276.380 2.757 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000629541219 354839559 /nfs/dbraw/zinc/83/95/59/354839559.db2.gz SHIWVSLTMFOPQG-LLVKDONJSA-N 2 0 290.329 2.721 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000629544803 354841351 /nfs/dbraw/zinc/84/13/51/354841351.db2.gz JNHPROUMEQEDTH-KGLIPLIRSA-N 2 0 295.789 2.972 20 0 CFADRP Cc1ccncc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000629544524 354841433 /nfs/dbraw/zinc/84/14/33/354841433.db2.gz FNQLCNITQJJNTB-GDBMZVCRSA-N 2 0 261.413 2.729 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000629548373 354843922 /nfs/dbraw/zinc/84/39/22/354843922.db2.gz FFXUPPRYQAVHCC-NXEZZACHSA-N 2 0 252.324 2.825 20 0 CFADRP CC(C)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629573180 354849103 /nfs/dbraw/zinc/84/91/03/354849103.db2.gz CSMAHCBLRLXTMH-MRXNPFEDSA-N 2 0 282.472 2.639 20 0 CFADRP CC1(C)CC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000629565617 354849165 /nfs/dbraw/zinc/84/91/65/354849165.db2.gz WOKBLCCTEGQALJ-NEPJUHHUSA-N 2 0 278.362 2.882 20 0 CFADRP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC[NH3+] ZINC000629582222 354850638 /nfs/dbraw/zinc/85/06/38/354850638.db2.gz PJCCLKGBJYFEII-WCQYABFASA-N 2 0 297.240 2.976 20 0 CFADRP Cc1noc(C)c1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000629712986 354907093 /nfs/dbraw/zinc/90/70/93/354907093.db2.gz ZMSDGLHJZLACIC-UHFFFAOYSA-N 2 0 285.391 2.882 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000305471113 540078347 /nfs/dbraw/zinc/07/83/47/540078347.db2.gz YBFMMCXOVJPSFZ-RCCFBDPRSA-N 2 0 294.483 2.734 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000287671209 540120602 /nfs/dbraw/zinc/12/06/02/540120602.db2.gz VUNYJBOKHOYPRO-BMGDILEWSA-N 2 0 290.451 2.602 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000271839247 191359813 /nfs/dbraw/zinc/35/98/13/191359813.db2.gz GLFJTSUZLZTOCF-KRWDZBQOSA-N 2 0 256.393 2.989 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)nc1 ZINC000271871542 191380178 /nfs/dbraw/zinc/38/01/78/191380178.db2.gz MXEVJRMRPNNDJV-NSHDSACASA-N 2 0 265.788 2.648 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000669417497 540144244 /nfs/dbraw/zinc/14/42/44/540144244.db2.gz PDJDFDVYIBSTIB-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000631196396 355343828 /nfs/dbraw/zinc/34/38/28/355343828.db2.gz RCOYGFZXVDXBQX-CRAIPNDOSA-N 2 0 283.419 2.872 20 0 CFADRP CO[C@H](C[NH2+]C1CCC([NH+](C)C)CC1)CC(C)C ZINC000669425532 540148491 /nfs/dbraw/zinc/14/84/91/540148491.db2.gz TVMLCQTYRRMCOV-NRXISQOPSA-N 2 0 256.434 2.510 20 0 CFADRP c1cnc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000631569227 355492180 /nfs/dbraw/zinc/49/21/80/355492180.db2.gz KVDJPZKAGZMFNX-IKGGRYGDSA-N 2 0 271.408 2.675 20 0 CFADRP COc1cccc2c1OCCC[C@H]2[NH2+]CCCC[NH+](C)C ZINC000631576941 355496449 /nfs/dbraw/zinc/49/64/49/355496449.db2.gz MGFQGBLZQSWCDA-OAHLLOKOSA-N 2 0 292.423 2.840 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000631583069 355501714 /nfs/dbraw/zinc/50/17/14/355501714.db2.gz VRZUOIBWWSJMTL-CXAGYDPISA-N 2 0 274.408 2.614 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCN1CC[C@@H](C)C1 ZINC000631585458 355503571 /nfs/dbraw/zinc/50/35/71/355503571.db2.gz MMJTUAZSDWAAQG-DYVFJYSZSA-N 2 0 274.408 2.614 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000631590076 355505309 /nfs/dbraw/zinc/50/53/09/355505309.db2.gz GFYAYQSNRQIJEW-BBWFWOEESA-N 2 0 292.467 2.797 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631650976 355533229 /nfs/dbraw/zinc/53/32/29/355533229.db2.gz GZNRAPBLZNZJQR-RHSMWYFYSA-N 2 0 273.424 2.781 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@]2(O)CCCC(C)(C)CC2)CC1 ZINC000631678571 355544471 /nfs/dbraw/zinc/54/44/71/355544471.db2.gz GCOCRVJROGPHTM-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCCC3(F)F)C2)C1 ZINC000336268416 283106838 /nfs/dbraw/zinc/10/68/38/283106838.db2.gz JKWZEWZXIOMUPH-UONOGXRCSA-N 2 0 272.383 2.840 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887662 355615019 /nfs/dbraw/zinc/61/50/19/355615019.db2.gz PMRBCICMVWGPJQ-SJORKVTESA-N 2 0 288.435 2.838 20 0 CFADRP Clc1cccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887289 355615263 /nfs/dbraw/zinc/61/52/63/355615263.db2.gz QDRIJBZYYDLFBX-CJNGLKHVSA-N 2 0 294.826 2.793 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000631811173 355593343 /nfs/dbraw/zinc/59/33/43/355593343.db2.gz SOEBUIDHTMVUMV-HPBDAGMYSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000631823166 355595507 /nfs/dbraw/zinc/59/55/07/355595507.db2.gz XSSUEAGKWFWENK-WMZOPIPTSA-N 2 0 287.451 2.971 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000631823163 355595545 /nfs/dbraw/zinc/59/55/45/355595545.db2.gz XSSUEAGKWFWENK-AEFFLSMTSA-N 2 0 287.451 2.971 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000631821708 355595775 /nfs/dbraw/zinc/59/57/75/355595775.db2.gz GQPOZDFBGJTXDI-UKRRQHHQSA-N 2 0 261.413 2.566 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000631827011 355597184 /nfs/dbraw/zinc/59/71/84/355597184.db2.gz CJKIKZRAAVTUQS-AEFFLSMTSA-N 2 0 287.451 2.971 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1C[NH3+] ZINC000631836579 355600052 /nfs/dbraw/zinc/60/00/52/355600052.db2.gz BUGJEYTXYOSBEB-GXFFZTMASA-N 2 0 254.324 2.651 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837849 355601637 /nfs/dbraw/zinc/60/16/37/355601637.db2.gz GCQXPIVPBNCVAX-NQBHXWOUSA-N 2 0 252.789 2.928 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000631842350 355603793 /nfs/dbraw/zinc/60/37/93/355603793.db2.gz ZCCNNTRUXVKFJE-SUMWQHHRSA-N 2 0 254.377 2.866 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CN1CCCc1ccc(Cl)cc1 ZINC000631858824 355606579 /nfs/dbraw/zinc/60/65/79/355606579.db2.gz DUOSZWFVXXMPPC-BXUZGUMPSA-N 2 0 252.789 2.694 20 0 CFADRP Cc1nc2c(c(N3CCC[C@@H]([NH2+]C(C)C)C3)n1)CCCC2 ZINC000679836271 540176563 /nfs/dbraw/zinc/17/65/63/540176563.db2.gz AODXBOWYPMGYTI-CQSZACIVSA-N 2 0 288.439 2.631 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@@H]1[NH3+] ZINC000229249114 540176781 /nfs/dbraw/zinc/17/67/81/540176781.db2.gz CUWDCMHKXNMXFJ-ILXRZTDVSA-N 2 0 266.429 2.537 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887664 355614602 /nfs/dbraw/zinc/61/46/02/355614602.db2.gz POZIBTNNECEIHU-PBHICJAKSA-N 2 0 297.402 2.514 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@@H]21 ZINC000229371156 540179385 /nfs/dbraw/zinc/17/93/85/540179385.db2.gz ARGWTMXPGDEPBR-FXUDXRNXSA-N 2 0 278.440 2.537 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC[NH2+]CC1 ZINC000229366680 540180021 /nfs/dbraw/zinc/18/00/21/540180021.db2.gz WAISSSRWVXHVKE-INIZCTEOSA-N 2 0 280.456 2.942 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CCCCC1 ZINC000631890657 355617468 /nfs/dbraw/zinc/61/74/68/355617468.db2.gz RFUNRDJJWOWFTL-GVDBMIGSSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@@](C)([C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1)C1CC1 ZINC000666207919 540193264 /nfs/dbraw/zinc/19/32/64/540193264.db2.gz HWTTYQFPTNUMPM-WWGRRREGSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)(C(=O)Nc1cccc(C[NH3+])c1)[C@H]([NH3+])c1ccccc1 ZINC000669508375 540211801 /nfs/dbraw/zinc/21/18/01/540211801.db2.gz PQQFEYZOQXIIHC-MRXNPFEDSA-N 2 0 297.402 2.810 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH+]2CCCC(C)(C)C2)[C@@H]2CCC[C@@H]21 ZINC000353592857 283135309 /nfs/dbraw/zinc/13/53/09/283135309.db2.gz KRPVUYYCUTZTHW-ULQDDVLXSA-N 2 0 293.499 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(F)F)[C@@H]2CCC[C@@H]21 ZINC000453243826 283135615 /nfs/dbraw/zinc/13/56/15/283135615.db2.gz ZUEZSADYROUNJS-AVGNSLFASA-N 2 0 260.372 2.884 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000273025670 192023122 /nfs/dbraw/zinc/02/31/22/192023122.db2.gz DGHJXCFGRLFOFZ-OAHLLOKOSA-N 2 0 294.439 2.623 20 0 CFADRP c1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2[nH]1 ZINC000299942888 540230009 /nfs/dbraw/zinc/23/00/09/540230009.db2.gz WDCDUCOSVGVIKQ-HOTGVXAUSA-N 2 0 269.392 2.884 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000353500899 283179250 /nfs/dbraw/zinc/17/92/50/283179250.db2.gz YGUKHGXOGWJUCS-OAHLLOKOSA-N 2 0 269.477 2.569 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000134092177 291114244 /nfs/dbraw/zinc/11/42/44/291114244.db2.gz DQEXJYRBSBARNN-LUKYLMHMSA-N 2 0 295.515 2.673 20 0 CFADRP C[N@@H+]1C[C@@H]2CCCN(c3cc[nH+]c4ccccc43)[C@@H]2C1 ZINC000425288150 283206243 /nfs/dbraw/zinc/20/62/43/283206243.db2.gz TYFUBLCNJWCTHM-SUMWQHHRSA-N 2 0 267.376 2.765 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000568740799 290567930 /nfs/dbraw/zinc/56/79/30/290567930.db2.gz QKFXBIFHEYZJSQ-RNGXCGTMSA-N 2 0 280.456 2.843 20 0 CFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCOC1 ZINC000249034874 540280645 /nfs/dbraw/zinc/28/06/45/540280645.db2.gz TWQLONJKHOZNNJ-ZWKOTPCHSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339071873 540281784 /nfs/dbraw/zinc/28/17/84/540281784.db2.gz UFSMBKVCMWQVNQ-TWMKSMIVSA-N 2 0 280.456 2.798 20 0 CFADRP CCC[NH+](CCC)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068294 540282560 /nfs/dbraw/zinc/28/25/60/540282560.db2.gz DHLAMJORQDELLY-SJORKVTESA-N 2 0 281.488 2.715 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC(C)C ZINC000339067501 540282732 /nfs/dbraw/zinc/28/27/32/540282732.db2.gz KWLSFCNYEPHRTR-SQNIBIBYSA-N 2 0 295.515 2.959 20 0 CFADRP C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075636 540283059 /nfs/dbraw/zinc/28/30/59/540283059.db2.gz QZYMDVQSZOWYBA-ROUUACIJSA-N 3 0 293.499 2.859 20 0 CFADRP c1ccc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000339068656 540283865 /nfs/dbraw/zinc/28/38/65/540283865.db2.gz OSIROHOUQGZFCS-CABCVRRESA-N 2 0 298.434 2.712 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000336625512 540291076 /nfs/dbraw/zinc/29/10/76/540291076.db2.gz BGQOTDCYUBJTNF-YOEHRIQHSA-N 2 0 274.408 2.832 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442870848 535384674 /nfs/dbraw/zinc/38/46/74/535384674.db2.gz DUFPSJPBEXIPAC-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP COc1cccc([C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151250715 540370001 /nfs/dbraw/zinc/37/00/01/540370001.db2.gz OQERVWJAEZMHQN-OAHLLOKOSA-N 2 0 297.402 2.973 20 0 CFADRP COc1cccc([C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151250646 540370059 /nfs/dbraw/zinc/37/00/59/540370059.db2.gz OQERVWJAEZMHQN-HNNXBMFYSA-N 2 0 297.402 2.973 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000228181087 540384808 /nfs/dbraw/zinc/38/48/08/540384808.db2.gz ZFJOLCDIUFZSOS-HZPDHXFCSA-N 2 0 276.424 2.884 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)O1 ZINC000294835574 199205002 /nfs/dbraw/zinc/20/50/02/199205002.db2.gz STILVTIIXHCGJO-RKVPGOIHSA-N 2 0 288.435 2.938 20 0 CFADRP Fc1ccc(F)c2c1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000420301049 236605626 /nfs/dbraw/zinc/60/56/26/236605626.db2.gz KXVFHJWTYCEKDX-LBPRGKRZSA-N 2 0 280.362 2.713 20 0 CFADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1C[C@H]1C ZINC000414110343 299282003 /nfs/dbraw/zinc/28/20/03/299282003.db2.gz LOKHWHUMJKTBKH-IXDOHACOSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000093211247 540426495 /nfs/dbraw/zinc/42/64/95/540426495.db2.gz NLZSICCTRBFNQI-ZMLRMANQSA-N 2 0 254.324 2.885 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000252700236 540465267 /nfs/dbraw/zinc/46/52/67/540465267.db2.gz YSINSUZGKQVTOK-HZPDHXFCSA-N 2 0 288.435 2.873 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CS1 ZINC000094470975 540450370 /nfs/dbraw/zinc/45/03/70/540450370.db2.gz MOTORQXNKMAOFS-KBPBESRZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc3C2)CC1 ZINC000678773291 540479002 /nfs/dbraw/zinc/47/90/02/540479002.db2.gz MPGGUCNGTIYJRB-OAHLLOKOSA-N 2 0 272.436 2.865 20 0 CFADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000152402836 540472011 /nfs/dbraw/zinc/47/20/11/540472011.db2.gz BZNAOVKFLTZCOE-TWMKSMIVSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000422642375 237117330 /nfs/dbraw/zinc/11/73/30/237117330.db2.gz ZLMKNYVVXAVFCB-MCIONIFRSA-N 2 0 280.387 2.510 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732040 237144650 /nfs/dbraw/zinc/14/46/50/237144650.db2.gz NDHZIWBSWDFJHY-BBRMVZONSA-N 2 0 271.408 2.688 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000422736119 237146886 /nfs/dbraw/zinc/14/68/86/237146886.db2.gz XGHOICYVVPOPBO-OUJBWJOFSA-N 2 0 267.442 2.799 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422734258 237148207 /nfs/dbraw/zinc/14/82/07/237148207.db2.gz SQFGSBVCIYKDGY-ZNMIVQPWSA-N 2 0 293.480 2.602 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000422742414 237154879 /nfs/dbraw/zinc/15/48/79/237154879.db2.gz GHLVMWZGBKPHAV-GFCCVEGCSA-N 2 0 255.365 2.700 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000422699970 237121690 /nfs/dbraw/zinc/12/16/90/237121690.db2.gz FQANUCJVMAZBMM-BRSBDYLESA-N 2 0 294.483 2.828 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCCc1ccccc1 ZINC000422703122 237122695 /nfs/dbraw/zinc/12/26/95/237122695.db2.gz MCJHPANQHBHWOY-RYQLBKOJSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000422707988 237124229 /nfs/dbraw/zinc/12/42/29/237124229.db2.gz BDCXLEYUOXDPBP-JKSUJKDBSA-N 2 0 289.467 2.540 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000422706633 237124406 /nfs/dbraw/zinc/12/44/06/237124406.db2.gz UQWONOWEIDVCOO-MORSLUCNSA-N 2 0 284.403 2.682 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCCNc1ccccn1 ZINC000422704418 237124852 /nfs/dbraw/zinc/12/48/52/237124852.db2.gz PPZXZUYCYRYVBG-CABCVRRESA-N 2 0 276.428 2.523 20 0 CFADRP C[C@H]([NH2+][C@@H](COc1ccccc1F)C(C)(C)C)C1C[NH2+]C1 ZINC000422716390 237132596 /nfs/dbraw/zinc/13/25/96/237132596.db2.gz UMLFZQWGGZYODQ-LRDDRELGSA-N 2 0 294.414 2.817 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000422713634 237133248 /nfs/dbraw/zinc/13/32/48/237133248.db2.gz KDOANYQASDAFRS-MJBXVCDLSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422718393 237134741 /nfs/dbraw/zinc/13/47/41/237134741.db2.gz XCVOPVJBJLMHON-UGUYLWEFSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCSCC1 ZINC000422726352 237138071 /nfs/dbraw/zinc/13/80/71/237138071.db2.gz DRMYPIGAIYLUBK-BBRMVZONSA-N 2 0 278.465 2.678 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727687 237141676 /nfs/dbraw/zinc/14/16/76/237141676.db2.gz DCLPOXPHDRYHGY-IUCAKERBSA-N 2 0 289.192 2.804 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000422766740 237181388 /nfs/dbraw/zinc/18/13/88/237181388.db2.gz RHPCPJKKGFVYSY-KZNAEPCWSA-N 2 0 287.451 2.511 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccs1 ZINC000422768638 237184626 /nfs/dbraw/zinc/18/46/26/237184626.db2.gz ZJLKLEQWKLXVJY-JTQLQIEISA-N 2 0 261.394 2.761 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)COCc1ccccc1 ZINC000422771031 237188850 /nfs/dbraw/zinc/18/88/50/237188850.db2.gz XKFWBGNJTNCOFL-NAZJXLNTSA-N 2 0 288.435 2.712 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000422770797 237189577 /nfs/dbraw/zinc/18/95/77/237189577.db2.gz XGWFLSZAKRDJNS-YJNKXOJESA-N 2 0 268.445 2.558 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422746566 237161815 /nfs/dbraw/zinc/16/18/15/237161815.db2.gz ZVGNKGLGIAUQSK-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)c1cccc(F)c1 ZINC000422752225 237165882 /nfs/dbraw/zinc/16/58/82/237165882.db2.gz CHUGOIWKYOCQHK-RYUDHWBXSA-N 2 0 252.377 2.819 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCn2cnc3ccccc32)c2ccccc21 ZINC000422751959 237166970 /nfs/dbraw/zinc/16/69/70/237166970.db2.gz CAQLNRNFDNAWEB-RDJZCZTQSA-N 2 0 292.386 2.771 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000422759218 237172497 /nfs/dbraw/zinc/17/24/97/237172497.db2.gz KMZWXPPECBQJHI-UONOGXRCSA-N 2 0 294.414 2.589 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000422757667 237173275 /nfs/dbraw/zinc/17/32/75/237173275.db2.gz IAGYGLZUKZKCQF-GJZGRUSLSA-N 2 0 250.361 2.618 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccccc1 ZINC000422760046 237175606 /nfs/dbraw/zinc/17/56/06/237175606.db2.gz PVHFMPWFESNZAJ-ZDUSSCGKSA-N 2 0 285.391 2.578 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422765519 237177654 /nfs/dbraw/zinc/17/76/54/237177654.db2.gz WJGDIISKNFVUMM-GOEBONIOSA-N 2 0 261.413 2.596 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)Oc1cccc(F)c1 ZINC000422796037 237218331 /nfs/dbraw/zinc/21/83/31/237218331.db2.gz XKUVSYCHPDOJCN-WOSRLPQWSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000422799629 237224121 /nfs/dbraw/zinc/22/41/21/237224121.db2.gz XSTUCLQAWIBXIN-IIMNLJJBSA-N 2 0 254.324 2.538 20 0 CFADRP COCc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422802483 237227398 /nfs/dbraw/zinc/22/73/98/237227398.db2.gz DGWOJQNBPBEKPS-ZDUSSCGKSA-N 2 0 299.418 2.846 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCOc1ccc(F)cc1 ZINC000422776265 237195886 /nfs/dbraw/zinc/19/58/86/237195886.db2.gz CMKSIIGSLAPKHQ-CVEARBPZSA-N 2 0 280.387 2.844 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422777439 237196197 /nfs/dbraw/zinc/19/61/97/237196197.db2.gz FXDSTJZPZFGTCX-UHFFFAOYSA-N 2 0 260.425 2.953 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])Oc1ccc(F)cc1 ZINC000422779207 237197845 /nfs/dbraw/zinc/19/78/45/237197845.db2.gz BTOXWCWLINZTEI-UHOFOFEASA-N 2 0 280.387 2.843 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782293 237202148 /nfs/dbraw/zinc/20/21/48/237202148.db2.gz GGHYYNQAWXJIEM-HZPDHXFCSA-N 3 0 289.467 2.888 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000422785660 237204272 /nfs/dbraw/zinc/20/42/72/237204272.db2.gz NQINKGPZUDAYBX-SMDDNHRTSA-N 2 0 270.804 2.745 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC000422785874 237205554 /nfs/dbraw/zinc/20/55/54/237205554.db2.gz PPVHHCXHBGJUFT-KSZLIROESA-N 2 0 289.467 2.847 20 0 CFADRP COc1ccc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422784706 237205633 /nfs/dbraw/zinc/20/56/33/237205633.db2.gz JACTVTIQDZRLPU-QZTJIDSGSA-N 2 0 298.386 2.808 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccs1 ZINC000422786559 237208114 /nfs/dbraw/zinc/20/81/14/237208114.db2.gz SNOIMTXCBXJVCK-ICIURTGMSA-N 2 0 264.438 2.799 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000422786658 237210295 /nfs/dbraw/zinc/21/02/95/237210295.db2.gz QLMIHJFUBVNZIT-UGQVUOCMSA-N 2 0 262.397 2.622 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422790620 237212965 /nfs/dbraw/zinc/21/29/65/237212965.db2.gz XQLIJRFVYHDDKI-JKIFEVAISA-N 2 0 276.424 2.919 20 0 CFADRP COc1ccc([C@H](C)CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422790623 237213018 /nfs/dbraw/zinc/21/30/18/237213018.db2.gz XQLIJRFVYHDDKI-KEYYUXOJSA-N 2 0 276.424 2.919 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422791703 237214144 /nfs/dbraw/zinc/21/41/44/237214144.db2.gz QOVVQSOSEFPJRK-BFYDXBDKSA-N 2 0 276.424 2.740 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000422793218 237215241 /nfs/dbraw/zinc/21/52/41/237215241.db2.gz WRHNSGNKTLMMPU-WBVHZDCISA-N 2 0 294.439 2.736 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])Sc1ccccc1 ZINC000422793541 237216727 /nfs/dbraw/zinc/21/67/27/237216727.db2.gz SIUVBPJWBCXKDA-QWHCGFSZSA-N 2 0 252.427 2.884 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000666746538 540576776 /nfs/dbraw/zinc/57/67/76/540576776.db2.gz YMJKNSOINBFFJV-WBVHZDCISA-N 2 0 269.392 2.842 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000422806830 237231712 /nfs/dbraw/zinc/23/17/12/237231712.db2.gz NWGUKJYKGJKDAE-IRXDYDNUSA-N 2 0 287.451 2.689 20 0 CFADRP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422854672 237276226 /nfs/dbraw/zinc/27/62/26/237276226.db2.gz BDXNOVNVQOYHPZ-YQQAZPJKSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000422853525 237276929 /nfs/dbraw/zinc/27/69/29/237276929.db2.gz ZAKOWLLOTMORLS-BPUTZDHNSA-N 2 0 268.445 2.689 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1C ZINC000422860996 237282928 /nfs/dbraw/zinc/28/29/28/237282928.db2.gz NMNFJVBQLPPJEP-HNNXBMFYSA-N 2 0 278.440 2.616 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])N(C)c1ccccc1 ZINC000422863312 237283270 /nfs/dbraw/zinc/28/32/70/237283270.db2.gz ONPRUGOUVYDSNK-VYDXJSESSA-N 2 0 275.440 2.618 20 0 CFADRP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954080 540596976 /nfs/dbraw/zinc/59/69/76/540596976.db2.gz PGAWASKXPVQKNF-CYBMUJFWSA-N 2 0 268.763 2.711 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422867520 237290015 /nfs/dbraw/zinc/29/00/15/237290015.db2.gz SQWMOTRZFCELQL-MCIONIFRSA-N 2 0 286.423 2.957 20 0 CFADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422872084 237293167 /nfs/dbraw/zinc/29/31/67/237293167.db2.gz FPJBEJOGBOCOIX-YPMHNXCESA-N 2 0 284.350 2.813 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000422872185 237293706 /nfs/dbraw/zinc/29/37/06/237293706.db2.gz GBSNRNZVPVQSGG-RANZSIQMSA-N 2 0 290.451 2.791 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000422842519 237267643 /nfs/dbraw/zinc/26/76/43/237267643.db2.gz YOAPSSHPGVVRFM-WMZOPIPTSA-N 2 0 290.451 2.961 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857606 540587693 /nfs/dbraw/zinc/58/76/93/540587693.db2.gz AKSTWWKMSMSKOW-UKRRQHHQSA-N 2 0 264.388 2.879 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000666857945 540587936 /nfs/dbraw/zinc/58/79/36/540587936.db2.gz QRJOJTLZHDBNBC-NUJGCVRESA-N 2 0 293.499 2.761 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000422886688 237305897 /nfs/dbraw/zinc/30/58/97/237305897.db2.gz JOYDKXKKUIEGDP-MJBXVCDLSA-N 2 0 272.396 2.649 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888077 237307984 /nfs/dbraw/zinc/30/79/84/237307984.db2.gz ZZZVCMRHZRACFK-VQVIJEGRSA-N 3 0 293.499 2.617 20 0 CFADRP C[NH+](C)[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000422890464 237310936 /nfs/dbraw/zinc/31/09/36/237310936.db2.gz IHWUKIRMQATFHD-BRWVUGGUSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])sc1C ZINC000422894123 237315675 /nfs/dbraw/zinc/31/56/75/237315675.db2.gz SEGWJZAQZWBQOS-OLZOCXBDSA-N 2 0 267.442 2.552 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422898259 237319667 /nfs/dbraw/zinc/31/96/67/237319667.db2.gz LOBMKLMFZFLPRO-CABCVRRESA-N 2 0 264.413 2.869 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000422901932 237321879 /nfs/dbraw/zinc/32/18/79/237321879.db2.gz LVYXBIBUFRNJEB-JTQLQIEISA-N 2 0 291.345 2.978 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422900127 237323117 /nfs/dbraw/zinc/32/31/17/237323117.db2.gz PXOHXHUHPISBNO-WBVHZDCISA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422905688 237327291 /nfs/dbraw/zinc/32/72/91/237327291.db2.gz IRVCKHGYHYIPFV-TZOQOTQKSA-N 2 0 299.462 2.651 20 0 CFADRP Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422905889 237327513 /nfs/dbraw/zinc/32/75/13/237327513.db2.gz ZRWDEAZHOPOONO-LSDHHAIUSA-N 2 0 264.413 2.788 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422905165 237329609 /nfs/dbraw/zinc/32/96/09/237329609.db2.gz RLMYBLSYAPDALF-HPBDAGMYSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1Cl ZINC000422923808 237357743 /nfs/dbraw/zinc/35/77/43/237357743.db2.gz SPHDEGWDTZVGAC-BZPMIXESSA-N 2 0 282.815 2.824 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422936705 237367300 /nfs/dbraw/zinc/36/73/00/237367300.db2.gz FSSBFEZMOGXXEP-HUUCEWRRSA-N 2 0 282.815 2.968 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422939535 237369056 /nfs/dbraw/zinc/36/90/56/237369056.db2.gz GBUOWQRHTASLDZ-HIFRSBDPSA-N 2 0 298.377 2.938 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422944913 237374565 /nfs/dbraw/zinc/37/45/65/237374565.db2.gz MTVCKODRMRNMPW-CJNGLKHVSA-N 2 0 276.424 2.660 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000422942918 237372507 /nfs/dbraw/zinc/37/25/07/237372507.db2.gz KYLZBBYUHUCRAH-WDEREUQCSA-N 2 0 290.329 2.800 20 0 CFADRP C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[N@H+](C)Cc1ccccc1 ZINC000422913899 237338945 /nfs/dbraw/zinc/33/89/45/237338945.db2.gz ZJHOFFGFBFPHAS-BPQIPLTHSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000422916918 237343693 /nfs/dbraw/zinc/34/36/93/237343693.db2.gz BXQMMADCKXZYMZ-KKXDTOCCSA-N 2 0 284.403 2.682 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000297411061 200180899 /nfs/dbraw/zinc/18/08/99/200180899.db2.gz NUJPHKJCQLIZQU-QGZVFWFLSA-N 2 0 273.424 2.563 20 0 CFADRP CCOc1ncccc1CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422964234 237393763 /nfs/dbraw/zinc/39/37/63/237393763.db2.gz KVGACEWMRZMOJW-GOEBONIOSA-N 2 0 291.439 2.881 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423040029 283479272 /nfs/dbraw/zinc/47/92/72/283479272.db2.gz SFIOAGSRGZPWBH-QSPRXWTASA-N 2 0 292.398 2.763 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000333339666 296001881 /nfs/dbraw/zinc/00/18/81/296001881.db2.gz XUBYOXWDTCFGCI-IGQOVBAYSA-N 2 0 267.417 2.591 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000297645016 200251334 /nfs/dbraw/zinc/25/13/34/200251334.db2.gz XQKOGZQOOTWYEB-ZFWWWQNUSA-N 2 0 275.421 2.954 20 0 CFADRP CCCC[C@H](COC)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297644966 200251443 /nfs/dbraw/zinc/25/14/43/200251443.db2.gz XQBZMWSIOYNGJH-CQSZACIVSA-N 2 0 261.369 2.629 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403706020 540673546 /nfs/dbraw/zinc/67/35/46/540673546.db2.gz DQADQBKFLPRWGD-OWCLPIDISA-N 2 0 250.430 2.744 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000063158975 283503561 /nfs/dbraw/zinc/50/35/61/283503561.db2.gz DIRIRVRRYJSNHE-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000297827029 200288227 /nfs/dbraw/zinc/28/82/27/200288227.db2.gz ZIYUNQUMXIDXTB-UHFFFAOYSA-N 2 0 264.800 2.734 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H](c2cnn(C)c2)c2ccccc2)CC[N@@H+]1C ZINC000346881775 540692935 /nfs/dbraw/zinc/69/29/35/540692935.db2.gz XSMOIUNLKWXWEJ-ZTFGCOKTSA-N 2 0 298.434 2.582 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000670158136 540694430 /nfs/dbraw/zinc/69/44/30/540694430.db2.gz MLUYNANVUGKRQV-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000162082154 540703068 /nfs/dbraw/zinc/70/30/68/540703068.db2.gz AKZWBLSKZUESLP-HOCLYGCPSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@@]1(c2ccccc2)C[N@H+](CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000521845505 540734129 /nfs/dbraw/zinc/73/41/29/540734129.db2.gz RBILRBYPVYIKTJ-AEFFLSMTSA-N 2 0 288.435 2.624 20 0 CFADRP CC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000178635776 189132958 /nfs/dbraw/zinc/13/29/58/189132958.db2.gz QGTAKAHUXMFZCC-SFHVURJKSA-N 2 0 290.451 2.913 20 0 CFADRP Cc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178636987 189133359 /nfs/dbraw/zinc/13/33/59/189133359.db2.gz BTFZOMLZRFSQHO-SJORKVTESA-N 2 0 258.409 2.911 20 0 CFADRP C[C@H](C[NH2+]Cc1cccc2cnccc21)C[NH+](C)C ZINC000381819539 540803228 /nfs/dbraw/zinc/80/32/28/540803228.db2.gz HNCHVPLZGBGDNL-CYBMUJFWSA-N 2 0 257.381 2.522 20 0 CFADRP C[C@H]([N@H+](C)Cc1cccc2c1CC[NH2+]C2)C1(C)CC1 ZINC000385486832 540814719 /nfs/dbraw/zinc/81/47/19/540814719.db2.gz CVRPFKNVNBGLBB-ZDUSSCGKSA-N 2 0 258.409 2.953 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000414751698 540828530 /nfs/dbraw/zinc/82/85/30/540828530.db2.gz AXNSAULQXFHWJU-ZDUSSCGKSA-N 2 0 250.361 2.744 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cn1 ZINC000414807285 540829063 /nfs/dbraw/zinc/82/90/63/540829063.db2.gz IWTIWODKMGQMFC-ZDUSSCGKSA-N 2 0 255.365 2.700 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423096825 238200257 /nfs/dbraw/zinc/20/02/57/238200257.db2.gz IEFLBGKQVOARTR-XJKSGUPXSA-N 2 0 271.408 2.688 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)c2ccccc21 ZINC000423098620 238200494 /nfs/dbraw/zinc/20/04/94/238200494.db2.gz CZEBSLTYNNLAGT-SJLPKXTDSA-N 2 0 292.386 2.840 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H](c1ccccc1)C1CC1 ZINC000423121968 238212623 /nfs/dbraw/zinc/21/26/23/238212623.db2.gz BPNTWJCRCJPIRT-HNONPPJISA-N 2 0 288.435 2.522 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000423122458 238213107 /nfs/dbraw/zinc/21/31/07/238213107.db2.gz CHDKNTJPVGZYBW-SJORKVTESA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423122323 238213218 /nfs/dbraw/zinc/21/32/18/238213218.db2.gz CEAIQEMTMRUGLF-RRCSTGOVSA-N 2 0 262.372 2.789 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OC ZINC000414925770 540830859 /nfs/dbraw/zinc/83/08/59/540830859.db2.gz MBSAPYDYUMULSZ-NWDGAFQWSA-N 2 0 298.814 2.717 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C1 ZINC000414925183 540831128 /nfs/dbraw/zinc/83/11/28/540831128.db2.gz LKGSQZWHWXLLEX-AHCXZYCDSA-N 2 0 293.499 2.889 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423126840 238217481 /nfs/dbraw/zinc/21/74/81/238217481.db2.gz OXNNNHLUTZDXBC-ZNMIVQPWSA-N 2 0 264.413 2.697 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928521 540831281 /nfs/dbraw/zinc/83/12/81/540831281.db2.gz QDGXQNQPASRDLS-RUCLMCIISA-N 2 0 260.381 2.568 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1SC ZINC000414931996 540831792 /nfs/dbraw/zinc/83/17/92/540831792.db2.gz VDNPVRJHUZFSDL-STQMWFEESA-N 2 0 280.437 2.777 20 0 CFADRP COCC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(C)(C)C ZINC000423106785 238203308 /nfs/dbraw/zinc/20/33/08/238203308.db2.gz DGFSQMWXUBACBR-XJKSGUPXSA-N 2 0 293.455 2.951 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423105265 238203593 /nfs/dbraw/zinc/20/35/93/238203593.db2.gz YUOIVHDNIZODDG-UAGQMJEPSA-N 2 0 294.414 2.805 20 0 CFADRP [NH3+]CCC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000415091780 540834250 /nfs/dbraw/zinc/83/42/50/540834250.db2.gz QWAZXRXAKWJDSZ-UHFFFAOYSA-N 3 0 275.440 2.501 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000423111642 238205570 /nfs/dbraw/zinc/20/55/70/238205570.db2.gz QXCQLGFIZAFPFB-WCVJEAGWSA-N 2 0 268.445 2.559 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)CCC[NH3+])C2)cc1F ZINC000423118244 238210032 /nfs/dbraw/zinc/21/00/32/238210032.db2.gz ZPAWSSHLZVSINE-MRVWCRGKSA-N 2 0 280.387 2.797 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423146532 238233491 /nfs/dbraw/zinc/23/34/91/238233491.db2.gz ARTPXWWYGBLOKC-CQSZACIVSA-N 2 0 298.434 2.836 20 0 CFADRP C[NH2+]CCCN1CCC[C@H](c2nc(C)c(C)s2)C1 ZINC000435883660 240366545 /nfs/dbraw/zinc/36/65/45/240366545.db2.gz AFIYDMWLWIQNJU-ZDUSSCGKSA-N 2 0 267.442 2.549 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423147370 238233916 /nfs/dbraw/zinc/23/39/16/238233916.db2.gz RVNJGUSPXINFHH-MLGOLLRUSA-N 2 0 298.377 2.686 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000423149014 238236093 /nfs/dbraw/zinc/23/60/93/238236093.db2.gz HDQGLJQUQWVBST-ZYHUDNBSSA-N 2 0 283.366 2.935 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)(C)C ZINC000670267090 540847914 /nfs/dbraw/zinc/84/79/14/540847914.db2.gz PJSIZKIOOPTNOI-OAHLLOKOSA-N 2 0 283.504 2.532 20 0 CFADRP COC[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423153604 238240018 /nfs/dbraw/zinc/24/00/18/238240018.db2.gz NKTYZEGIGKDLDR-GXTWGEPZSA-N 2 0 284.831 2.787 20 0 CFADRP C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423132156 238223328 /nfs/dbraw/zinc/22/33/28/238223328.db2.gz OSCAXARMMBNXTN-XYPHTWIQSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(C)CCC(C)(C)CC1 ZINC000423174521 238253309 /nfs/dbraw/zinc/25/33/09/238253309.db2.gz CHLXYGRZRQWNRC-KKUMJFAQSA-N 2 0 282.472 2.935 20 0 CFADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC[NH3+] ZINC000423179721 238259165 /nfs/dbraw/zinc/25/91/65/238259165.db2.gz JVKWZYKFPFKEBG-SNVBAGLBSA-N 2 0 261.394 2.728 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000423158367 238242762 /nfs/dbraw/zinc/24/27/62/238242762.db2.gz WOBDSSUIYJBZLB-VHSXEESVSA-N 2 0 274.767 2.573 20 0 CFADRP COCC1(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCCC1 ZINC000423160431 238244028 /nfs/dbraw/zinc/24/40/28/238244028.db2.gz HGIBLZCVJATCCW-CYBMUJFWSA-N 2 0 291.439 2.706 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c(C)c1OC ZINC000423203927 238274950 /nfs/dbraw/zinc/27/49/50/238274950.db2.gz CXILBZBTJDGJME-UONOGXRCSA-N 2 0 292.423 2.662 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423225575 238289431 /nfs/dbraw/zinc/28/94/31/238289431.db2.gz NIJLZUTXXFKGQH-APHBMKBZSA-N 2 0 296.842 2.757 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000423225205 238290066 /nfs/dbraw/zinc/29/00/66/238290066.db2.gz LSPYTJZCOLNKHK-VHSXEESVSA-N 2 0 276.302 2.973 20 0 CFADRP c1cn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166291935 540885887 /nfs/dbraw/zinc/88/58/87/540885887.db2.gz LCPQRWFRRXGMRT-DLBZAZTESA-N 2 0 296.418 2.589 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423231071 238293494 /nfs/dbraw/zinc/29/34/94/238293494.db2.gz KPXLTOVWZKCBJR-KPPDAEKUSA-N 2 0 254.399 2.677 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)cnn1C(C)(C)C ZINC000423231822 238294825 /nfs/dbraw/zinc/29/48/25/238294825.db2.gz MCBZPYCGAWNFJB-LMWSTFAQSA-N 2 0 278.444 2.867 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC[NH2+]2)C3)cc1 ZINC000423236648 238298026 /nfs/dbraw/zinc/29/80/26/238298026.db2.gz OUFKKGHICLTOIR-OKYOBFRVSA-N 2 0 299.462 2.524 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1N(C)C ZINC000423214635 238282491 /nfs/dbraw/zinc/28/24/91/238282491.db2.gz LNSLQQFXXQSADO-MELADBBJSA-N 2 0 293.430 2.930 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000423222661 238287205 /nfs/dbraw/zinc/28/72/05/238287205.db2.gz CAESIIWYIFWVMI-CWRNSKLLSA-N 2 0 276.424 2.697 20 0 CFADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(OC(F)F)cc1 ZINC000423243478 238303793 /nfs/dbraw/zinc/30/37/93/238303793.db2.gz ZXLSYWASEFWFTI-VHSXEESVSA-N 2 0 258.312 2.676 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000423253360 238310031 /nfs/dbraw/zinc/31/00/31/238310031.db2.gz VVENEWUUYDFANP-LTCOOKNTSA-N 2 0 288.435 2.776 20 0 CFADRP COCCc1nc(C)c([C@H](C)N[C@@H](C[NH3+])CC(C)C)s1 ZINC000423259486 238315314 /nfs/dbraw/zinc/31/53/14/238315314.db2.gz DWQQGHHQZKMNIU-WCQYABFASA-N 2 0 299.484 2.664 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423276561 238333601 /nfs/dbraw/zinc/33/36/01/238333601.db2.gz OOZLSMKTAUBSBR-DLBZAZTESA-N 2 0 260.425 2.889 20 0 CFADRP CCc1nc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cs1 ZINC000156479394 540930661 /nfs/dbraw/zinc/93/06/61/540930661.db2.gz SFJWMGREYRWBLK-NSHDSACASA-N 2 0 267.442 2.525 20 0 CFADRP Clc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)C2CC2)cc1 ZINC000423308337 238365225 /nfs/dbraw/zinc/36/52/25/238365225.db2.gz XMNLDAZCNWNZQR-AWEZNQCLSA-N 2 0 250.773 2.600 20 0 CFADRP [NH3+][C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423314655 238367448 /nfs/dbraw/zinc/36/74/48/238367448.db2.gz HLXJWDGCDFKLKE-OKYOBFRVSA-N 2 0 299.462 2.509 20 0 CFADRP c1cc2cnccc2c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000157521712 540954238 /nfs/dbraw/zinc/95/42/38/540954238.db2.gz SHUSPUWRYLGSDP-DLBZAZTESA-N 2 0 281.403 2.951 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423290349 238352083 /nfs/dbraw/zinc/35/20/83/238352083.db2.gz ZTFDOZZNZIKSDM-VXGBXAGGSA-N 2 0 250.386 2.514 20 0 CFADRP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(-c2ccncc2)cc1 ZINC000423302769 238358271 /nfs/dbraw/zinc/35/82/71/238358271.db2.gz KJEAVWVJTKHMSS-ZDUSSCGKSA-N 2 0 267.376 2.619 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423324729 238379282 /nfs/dbraw/zinc/37/92/82/238379282.db2.gz IXASGAGNQCYVNK-HNNXBMFYSA-N 2 0 274.408 2.662 20 0 CFADRP Fc1ccccc1C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423332372 238383639 /nfs/dbraw/zinc/38/36/39/238383639.db2.gz VBJZOHCBPWICGR-SFHVURJKSA-N 2 0 284.378 2.919 20 0 CFADRP COCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000532036979 540977283 /nfs/dbraw/zinc/97/72/83/540977283.db2.gz JCGSTQGCPVEQRR-DLBZAZTESA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCCOCc2ccccc2)C1 ZINC000390589185 540978549 /nfs/dbraw/zinc/97/85/49/540978549.db2.gz OPELHJUBCQBXGA-IAGOWNOFSA-N 2 0 276.424 2.843 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000309952456 296028770 /nfs/dbraw/zinc/02/87/70/296028770.db2.gz GYQPIJGURCUGHA-WBVHZDCISA-N 2 0 276.424 2.653 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c(C)s1 ZINC000423336454 238388067 /nfs/dbraw/zinc/38/80/67/238388067.db2.gz GYBPUUKIWFNERR-LLVKDONJSA-N 2 0 250.411 2.935 20 0 CFADRP C[C@H](C[NH3+])N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000423319861 238371217 /nfs/dbraw/zinc/37/12/17/238371217.db2.gz FUXBBEPLSIAZSR-CHWSQXEVSA-N 2 0 255.365 2.746 20 0 CFADRP Cc1cccc(C[C@H]([NH2+]CC2([NH3+])CCC2)C2CC2)c1 ZINC000423326296 238377484 /nfs/dbraw/zinc/37/74/84/238377484.db2.gz MAEOIRPSNBJJHO-INIZCTEOSA-N 2 0 258.409 2.787 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C(C)C)cc1 ZINC000423349192 238398451 /nfs/dbraw/zinc/39/84/51/238398451.db2.gz VZFGIXMDUMAYPI-KRWDZBQOSA-N 2 0 274.408 2.902 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)ccc1F ZINC000423340202 238391171 /nfs/dbraw/zinc/39/11/71/238391171.db2.gz VMESSKBIWYKDOM-LBPRGKRZSA-N 2 0 280.387 2.875 20 0 CFADRP CC[C@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)[C@@H]1CC1(C)C ZINC000666096140 540984638 /nfs/dbraw/zinc/98/46/38/540984638.db2.gz LZOIWYZSQLPSHK-GJZGRUSLSA-N 2 0 282.472 2.636 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000423343923 238392639 /nfs/dbraw/zinc/39/26/39/238392639.db2.gz MHWSSUMQKDQTMP-NSHDSACASA-N 2 0 273.405 2.867 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCC[NH3+] ZINC000423343563 238393395 /nfs/dbraw/zinc/39/33/95/238393395.db2.gz ZYROWMYENXLSHI-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccccc1Cl ZINC000423345937 238393541 /nfs/dbraw/zinc/39/35/41/238393541.db2.gz OPZQCZOPXIXRFS-NSHDSACASA-N 2 0 250.773 2.910 20 0 CFADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000334865372 283627582 /nfs/dbraw/zinc/62/75/82/283627582.db2.gz UAYYYARCKJWSCC-DLBZAZTESA-N 2 0 292.398 2.544 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1F ZINC000180497497 189259030 /nfs/dbraw/zinc/25/90/30/189259030.db2.gz WCDPUWUTSUXSLE-YOEHRIQHSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423410036 238444225 /nfs/dbraw/zinc/44/42/25/238444225.db2.gz ZOLVCIIUAKFXOA-COXVUDFISA-N 2 0 258.409 2.595 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000423396383 238434949 /nfs/dbraw/zinc/43/49/49/238434949.db2.gz UATDGQQEOILXAS-VNHYZAJKSA-N 2 0 262.397 2.876 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000423466820 238471533 /nfs/dbraw/zinc/47/15/33/238471533.db2.gz TYVKSXNZYUJFLT-HUBLWGQQSA-N 2 0 250.361 2.994 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cnn1C(C)(C)C ZINC000423470861 238477690 /nfs/dbraw/zinc/47/76/90/238477690.db2.gz ZIQUKJIOGUIBBA-VXGBXAGGSA-N 2 0 266.433 2.725 20 0 CFADRP COC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)C(C)C ZINC000423496860 238496222 /nfs/dbraw/zinc/49/62/22/238496222.db2.gz FOJQRPBRUVXSSF-HZPDHXFCSA-N 2 0 264.413 2.727 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cn1 ZINC000423473965 238479606 /nfs/dbraw/zinc/47/96/06/238479606.db2.gz HBRFBMPNQOBYKS-AAEUAGOBSA-N 2 0 267.804 2.918 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423476746 238481118 /nfs/dbraw/zinc/48/11/18/238481118.db2.gz RFFHRCWGZQDWNG-PVAVHDDUSA-N 2 0 275.440 2.900 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000423490901 238491689 /nfs/dbraw/zinc/49/16/89/238491689.db2.gz ITUBKIQLKBGTHG-LYRGGWFBSA-N 2 0 262.372 2.994 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)OCC1CC1)C1CC[NH+](C)CC1 ZINC000666214300 541072106 /nfs/dbraw/zinc/07/21/06/541072106.db2.gz KVNMDQNQHDWKKD-ZDUSSCGKSA-N 2 0 268.445 2.512 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000666199312 541070990 /nfs/dbraw/zinc/07/09/90/541070990.db2.gz KIYGCUVKOPARQA-XWIAVFTESA-N 2 0 288.435 2.619 20 0 CFADRP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1C(F)(F)F ZINC000666319436 541084770 /nfs/dbraw/zinc/08/47/70/541084770.db2.gz ORVGPQFSQMNYJL-CHWSQXEVSA-N 2 0 284.325 2.665 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000666614334 541120558 /nfs/dbraw/zinc/12/05/58/541120558.db2.gz ZOYPKMHKSHMXIP-HIFRSBDPSA-N 2 0 292.423 2.524 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC[NH2+]1 ZINC000666701961 541133521 /nfs/dbraw/zinc/13/35/21/541133521.db2.gz QMMXZZPXRDGMHE-CKEIUWERSA-N 2 0 292.398 2.667 20 0 CFADRP c1cc2cnccc2c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000666792247 541144328 /nfs/dbraw/zinc/14/43/28/541144328.db2.gz XJPCOYCENRNCKL-CQSZACIVSA-N 2 0 269.392 2.714 20 0 CFADRP c1cc2cnccc2c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000666792244 541144431 /nfs/dbraw/zinc/14/44/31/541144431.db2.gz XJPCOYCENRNCKL-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1c(F)cncc1F ZINC000671770863 541146810 /nfs/dbraw/zinc/14/68/10/541146810.db2.gz NVMWZUBAYNOSBJ-GHMZBOCLSA-N 2 0 283.366 2.741 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666855550 541152664 /nfs/dbraw/zinc/15/26/64/541152664.db2.gz ZKXUREVNSCWIIF-MRXNPFEDSA-N 2 0 284.407 2.617 20 0 CFADRP FC(F)(F)c1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950706 541165253 /nfs/dbraw/zinc/16/52/53/541165253.db2.gz BRZYEEQSPZNRAC-ZDUSSCGKSA-N 2 0 284.325 2.937 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952141 541165958 /nfs/dbraw/zinc/16/59/58/541165958.db2.gz HNWVTEKXWDHLIT-MRXNPFEDSA-N 2 0 274.408 2.706 20 0 CFADRP Fc1ccc(Cl)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952253 541166016 /nfs/dbraw/zinc/16/60/16/541166016.db2.gz MPSTZTMPZCIVOT-ZDUSSCGKSA-N 2 0 268.763 2.711 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666954159 541166534 /nfs/dbraw/zinc/16/65/34/541166534.db2.gz RAUWZZOKNDUNRM-RHSMWYFYSA-N 2 0 288.435 2.748 20 0 CFADRP COc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1F ZINC000666998349 541171938 /nfs/dbraw/zinc/17/19/38/541171938.db2.gz OTRGIZNLGIVZAD-ZDUSSCGKSA-N 2 0 278.371 2.599 20 0 CFADRP c1cc2cnccc2c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996721 541172150 /nfs/dbraw/zinc/17/21/50/541172150.db2.gz BJZLOTXHYGUZRR-INIZCTEOSA-N 2 0 281.403 2.999 20 0 CFADRP COCC(C)(C)CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000426402803 239217238 /nfs/dbraw/zinc/21/72/38/239217238.db2.gz DJYKPHKERIEACE-XHSDSOJGSA-N 2 0 282.472 2.996 20 0 CFADRP CC(C)[NH+]1CCC(N(C)Cc2c(C3CC3)cnn2C)CC1 ZINC000667493800 541243403 /nfs/dbraw/zinc/24/34/03/541243403.db2.gz CQHPVBCGTRMLID-UHFFFAOYSA-N 2 0 290.455 2.602 20 0 CFADRP CC(C)CC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667499314 541244780 /nfs/dbraw/zinc/24/47/80/541244780.db2.gz GKTHOGFYXYKNHB-UHFFFAOYSA-N 2 0 258.369 2.745 20 0 CFADRP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000667533075 541250491 /nfs/dbraw/zinc/25/04/91/541250491.db2.gz FCNYTNWLWGNTIO-AWEZNQCLSA-N 2 0 299.422 2.790 20 0 CFADRP COc1ccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000319125210 541254585 /nfs/dbraw/zinc/25/45/85/541254585.db2.gz IMLKEOIAUBBNES-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427142664 239288061 /nfs/dbraw/zinc/28/80/61/239288061.db2.gz FLDYDQUFVGONDN-OIISXLGYSA-N 2 0 258.409 2.549 20 0 CFADRP C[C@@H]([N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C1(C)CC1 ZINC000667696426 541291910 /nfs/dbraw/zinc/29/19/10/541291910.db2.gz VMXZSKQVOKQCKB-CYBMUJFWSA-N 2 0 270.380 2.888 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041923 239360730 /nfs/dbraw/zinc/36/07/30/239360730.db2.gz AILMYFDGBKTQHH-DLBZAZTESA-N 2 0 288.435 2.756 20 0 CFADRP C1CC1[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CO1 ZINC000667896589 541336993 /nfs/dbraw/zinc/33/69/93/541336993.db2.gz WMMIWCLGMHBNFR-NVXWUHKLSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@@H](CCC(C)(C)C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433116604 240103919 /nfs/dbraw/zinc/10/39/19/240103919.db2.gz LJTYBFZDZCBMTF-AWEZNQCLSA-N 2 0 297.487 2.521 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc2c1 ZINC000435373576 240305756 /nfs/dbraw/zinc/30/57/56/240305756.db2.gz VFJZRFJPPHDDNT-NEPJUHHUSA-N 2 0 274.364 2.611 20 0 CFADRP CC[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435391707 240309011 /nfs/dbraw/zinc/30/90/11/240309011.db2.gz TZOIRPVUMSPUSQ-CYBMUJFWSA-N 2 0 268.351 2.929 20 0 CFADRP CC[C@H]1C[C@H](C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CCO1 ZINC000435043517 240284042 /nfs/dbraw/zinc/28/40/42/240284042.db2.gz ZHVKLGLECNHLPM-HLLBOEOZSA-N 2 0 290.407 2.740 20 0 CFADRP C[N@H+](CCCOCCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435610641 240330754 /nfs/dbraw/zinc/33/07/54/240330754.db2.gz LIJHRTXIWRCGHZ-GOSISDBHSA-N 2 0 290.451 2.710 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1F ZINC000435395998 240312962 /nfs/dbraw/zinc/31/29/62/240312962.db2.gz UCHUSHQFHMRODJ-HIFRSBDPSA-N 2 0 294.414 2.684 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435448330 240314428 /nfs/dbraw/zinc/31/44/28/240314428.db2.gz UXDKEKGKQBSRJK-BVBGJJFLSA-N 2 0 274.408 2.782 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000275655659 193097745 /nfs/dbraw/zinc/09/77/45/193097745.db2.gz USWWZBPSEGABGD-UHFFFAOYSA-N 2 0 268.763 2.831 20 0 CFADRP CSc1ccccc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000442798348 241000838 /nfs/dbraw/zinc/00/08/38/241000838.db2.gz YOFGULXFJGSDHP-ZDUSSCGKSA-N 2 0 294.464 2.516 20 0 CFADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1C(C)(C)C1(C)C ZINC000442872481 241010301 /nfs/dbraw/zinc/01/03/01/241010301.db2.gz JOFPMQQIZCTRCN-AWEZNQCLSA-N 2 0 295.515 2.673 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1C(C)(C)C1(C)C ZINC000442872484 241011040 /nfs/dbraw/zinc/01/10/40/241011040.db2.gz JOFPMQQIZCTRCN-CQSZACIVSA-N 2 0 295.515 2.673 20 0 CFADRP CCC[C@H](C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000356346962 283884719 /nfs/dbraw/zinc/88/47/19/283884719.db2.gz ZMRQMALACIOXPY-RBSFLKMASA-N 2 0 256.434 2.702 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000442926105 241021141 /nfs/dbraw/zinc/02/11/41/241021141.db2.gz XTRUJVIBELSQBX-CQSZACIVSA-N 2 0 284.407 2.638 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000443054887 241032254 /nfs/dbraw/zinc/03/22/54/241032254.db2.gz ATIIGAHFPRIHCY-GFCCVEGCSA-N 2 0 291.420 2.964 20 0 CFADRP Cc1[nH+]c2ccccc2c(NC[C@H](C)[NH+](C)C)c1C ZINC000443446996 241063455 /nfs/dbraw/zinc/06/34/55/241063455.db2.gz NXOMPAFMDLLERZ-NSHDSACASA-N 2 0 257.381 2.636 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCN(C)c2ccccc2)C[C@@H]1C ZINC000444297675 241133433 /nfs/dbraw/zinc/13/34/33/241133433.db2.gz ZBPURHCRYLBQHF-FUHWJXTLSA-N 2 0 289.467 2.927 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1nccs1 ZINC000447568135 241386321 /nfs/dbraw/zinc/38/63/21/241386321.db2.gz HPAVOLTYRLDJPH-LLVKDONJSA-N 2 0 265.426 2.668 20 0 CFADRP C[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)CC1CCOCC1 ZINC000446887339 241335929 /nfs/dbraw/zinc/33/59/29/241335929.db2.gz RHGBDAGUEOKRLL-HNNXBMFYSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)CCO1 ZINC000446887216 241335964 /nfs/dbraw/zinc/33/59/64/241335964.db2.gz PMZSBQSOALEEJI-WBVHZDCISA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000447558566 241385987 /nfs/dbraw/zinc/38/59/87/241385987.db2.gz QCMGZSYRYLVDAF-ZDUSSCGKSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@]1(C[N@H+](CCC(F)(F)F)CC2CC2)CC[NH2+]C1 ZINC000262010797 291378126 /nfs/dbraw/zinc/37/81/26/291378126.db2.gz MFPXXCRXSSKURK-LBPRGKRZSA-N 2 0 264.335 2.650 20 0 CFADRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCC1 ZINC000449073968 241677664 /nfs/dbraw/zinc/67/76/64/241677664.db2.gz JYZPMSQRWFBHMW-GOSISDBHSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@]1(C[NH+]2CCC(OC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261741988 291380284 /nfs/dbraw/zinc/38/02/84/291380284.db2.gz IMJGXSYGFARETO-KRWDZBQOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC[NH2+]C1 ZINC000262006783 291380556 /nfs/dbraw/zinc/38/05/56/291380556.db2.gz LVXPJYIXTGTWCA-YPMHNXCESA-N 2 0 278.362 2.896 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449338962 241857608 /nfs/dbraw/zinc/85/76/08/241857608.db2.gz TUMIKDASSZVXCI-CVEARBPZSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CCC[NH2+]C1 ZINC000414919287 291389787 /nfs/dbraw/zinc/38/97/87/291389787.db2.gz WMGULDJYNHLPDH-OAGGEKHMSA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CCC[C@H]3O)CC2)C1 ZINC000449737927 242127379 /nfs/dbraw/zinc/12/73/79/242127379.db2.gz VXQOMFITAXKRKW-CYGHRXIMSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)C3CCC3)CC2)C1 ZINC000449738938 242127533 /nfs/dbraw/zinc/12/75/33/242127533.db2.gz HBWMMDWRJLBFNL-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP CCc1cc(CCC[NH+]2CCC(CC[NH+](C)C)CC2)on1 ZINC000450281576 242339212 /nfs/dbraw/zinc/33/92/12/242339212.db2.gz COKGCHPMWZSLPR-UHFFFAOYSA-N 2 0 293.455 2.833 20 0 CFADRP CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324313 242356993 /nfs/dbraw/zinc/35/69/93/242356993.db2.gz OACUEPSCMSZCTL-IRXDYDNUSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423339542 296117496 /nfs/dbraw/zinc/11/74/96/296117496.db2.gz VIYDVNRYBWVCKQ-CYBMUJFWSA-N 2 0 293.430 2.932 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC(F)(F)C2)cc1 ZINC000675644671 541675218 /nfs/dbraw/zinc/67/52/18/541675218.db2.gz BBFCLKOAOMUIMS-AWEZNQCLSA-N 2 0 298.377 2.904 20 0 CFADRP CCCC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000675642440 541675461 /nfs/dbraw/zinc/67/54/61/541675461.db2.gz NJHWBWYGOPKQSK-CVEARBPZSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422708014 296121692 /nfs/dbraw/zinc/12/16/92/296121692.db2.gz BEEXVSLMJBZZEI-IAGOWNOFSA-N 3 0 281.488 2.763 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000675741307 541686579 /nfs/dbraw/zinc/68/65/79/541686579.db2.gz BUEAQNPTCPBRJJ-CQSZACIVSA-N 2 0 293.455 2.519 20 0 CFADRP CCC[NH+]1CCC(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000675769762 541691700 /nfs/dbraw/zinc/69/17/00/541691700.db2.gz KRRBZXAAJHMYRR-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP c1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000675797823 541695345 /nfs/dbraw/zinc/69/53/45/541695345.db2.gz VWPCSALBBIEFIO-QGZVFWFLSA-N 2 0 299.462 2.872 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000453059335 243381738 /nfs/dbraw/zinc/38/17/38/243381738.db2.gz MRAHPVUTVZPJFI-CVEARBPZSA-N 2 0 290.455 2.509 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453057691 243381827 /nfs/dbraw/zinc/38/18/27/243381827.db2.gz IUFLCDRTRDCNBV-QAPCUYQASA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000453064555 243385472 /nfs/dbraw/zinc/38/54/72/243385472.db2.gz WVJSURPRFMCFLB-HNNXBMFYSA-N 2 0 277.456 2.970 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000453069203 243388404 /nfs/dbraw/zinc/38/84/04/243388404.db2.gz YVLJNJFJTPOVQE-HZPDHXFCSA-N 2 0 290.455 2.652 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C(C)(C)C ZINC000453109965 243406643 /nfs/dbraw/zinc/40/66/43/243406643.db2.gz QBVKBIZANSUSFP-HOTGVXAUSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@@H](Cc1cnccn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000453083924 243393551 /nfs/dbraw/zinc/39/35/51/243393551.db2.gz WIGDSXLGQOSRRI-HNNXBMFYSA-N 2 0 290.455 2.652 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000453126815 243417560 /nfs/dbraw/zinc/41/75/60/243417560.db2.gz LAXGGSVSBVXZDR-AWEZNQCLSA-N 2 0 278.444 2.818 20 0 CFADRP Cc1ccc(CC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000676222559 541735043 /nfs/dbraw/zinc/73/50/43/541735043.db2.gz PYFKAGAKLJRWQQ-MSOLQXFVSA-N 2 0 272.436 2.954 20 0 CFADRP Cc1ccc(CC[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000676222560 541735601 /nfs/dbraw/zinc/73/56/01/541735601.db2.gz PYFKAGAKLJRWQQ-QZTJIDSGSA-N 2 0 272.436 2.954 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1C ZINC000161817042 541787708 /nfs/dbraw/zinc/78/77/08/541787708.db2.gz CIMPOFYMPAEVSK-AWEZNQCLSA-N 2 0 276.424 2.824 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)no1 ZINC000459432570 245177632 /nfs/dbraw/zinc/17/76/32/245177632.db2.gz RYTKJVYUAYWKEY-UHFFFAOYSA-N 2 0 279.428 2.831 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CCCN(C)C2)C2CC2)c1 ZINC000677129143 541824551 /nfs/dbraw/zinc/82/45/51/541824551.db2.gz HAHJVGVFGZRCLT-WMZOPIPTSA-N 2 0 288.435 2.700 20 0 CFADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000459578630 245224397 /nfs/dbraw/zinc/22/43/97/245224397.db2.gz YESGCMAXULRLAL-CYBMUJFWSA-N 2 0 269.339 2.684 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000677153648 541829006 /nfs/dbraw/zinc/82/90/06/541829006.db2.gz SPDZVJJQKZKJHJ-CYBMUJFWSA-N 2 0 255.365 2.765 20 0 CFADRP Cc1ccncc1CCC[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459655781 245260086 /nfs/dbraw/zinc/26/00/86/245260086.db2.gz FLBOMZNIDCRIBR-UHFFFAOYSA-N 2 0 280.375 2.760 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(-n3cccn3)cc2)C1 ZINC000459728448 245287086 /nfs/dbraw/zinc/28/70/86/245287086.db2.gz HYXBHUZVLZZBOA-KRWDZBQOSA-N 2 0 298.434 2.694 20 0 CFADRP COCc1cccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459726976 245288883 /nfs/dbraw/zinc/28/88/83/245288883.db2.gz GUEYZSZDZJOBIA-HNNXBMFYSA-N 2 0 276.424 2.655 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000459740968 245296570 /nfs/dbraw/zinc/29/65/70/245296570.db2.gz USJAPYFQXCABLH-NSHDSACASA-N 2 0 286.341 2.925 20 0 CFADRP CCOC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000459696567 245276913 /nfs/dbraw/zinc/27/69/13/245276913.db2.gz BIVUERONBFXOSP-INIZCTEOSA-N 2 0 268.445 2.753 20 0 CFADRP COc1ccc(F)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459723556 245284709 /nfs/dbraw/zinc/28/47/09/245284709.db2.gz ADDKBEVLHTUKBQ-CYBMUJFWSA-N 2 0 280.387 2.656 20 0 CFADRP CSCc1cnc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459798786 245331867 /nfs/dbraw/zinc/33/18/67/245331867.db2.gz XXNJSJRUFJSRQQ-LBPRGKRZSA-N 2 0 299.509 2.828 20 0 CFADRP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1O ZINC000459792540 245329266 /nfs/dbraw/zinc/32/92/66/245329266.db2.gz SHYISEJYIZOZBY-AWEZNQCLSA-N 2 0 292.423 2.612 20 0 CFADRP CSC1(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000459792488 245329335 /nfs/dbraw/zinc/32/93/35/245329335.db2.gz SDANVFBHJJWCMS-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000459810367 245337506 /nfs/dbraw/zinc/33/75/06/245337506.db2.gz TZAPTYBSOOQMAG-GOSISDBHSA-N 2 0 295.515 2.961 20 0 CFADRP CCCCN(C)CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000463013721 245396521 /nfs/dbraw/zinc/39/65/21/245396521.db2.gz TXPWHTHZFAJJOE-CABCVRRESA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)n1ccnc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000677474950 541864079 /nfs/dbraw/zinc/86/40/79/541864079.db2.gz FLBMUBXBIAVLJC-INIZCTEOSA-N 2 0 290.455 2.628 20 0 CFADRP CCc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000020043204 372221403 /nfs/dbraw/zinc/22/14/03/372221403.db2.gz MKHPBBSTIKVAOD-UHFFFAOYSA-N 2 0 254.443 2.988 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000571298758 383683276 /nfs/dbraw/zinc/68/32/76/383683276.db2.gz YXLUTUSHQJDBQP-HNNXBMFYSA-N 2 0 290.455 2.948 20 0 CFADRP CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000034822502 372514407 /nfs/dbraw/zinc/51/44/07/372514407.db2.gz RYBJFBQLAIADMD-CYBMUJFWSA-N 2 0 250.386 2.688 20 0 CFADRP CC[NH+](CC)CCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000034991383 372524872 /nfs/dbraw/zinc/52/48/72/372524872.db2.gz VXBIWEQHRZFZCA-UHFFFAOYSA-N 2 0 286.423 2.694 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000034981271 372525039 /nfs/dbraw/zinc/52/50/39/372525039.db2.gz BKFPTYOBZHSZQC-CYBMUJFWSA-N 2 0 296.411 2.666 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH+]1CCCC1)C2 ZINC000035015748 372528950 /nfs/dbraw/zinc/52/89/50/372528950.db2.gz GEJBGMVMJNVURE-QGZVFWFLSA-N 2 0 258.409 2.619 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000036907866 372609731 /nfs/dbraw/zinc/60/97/31/372609731.db2.gz KLLIDNHPTHHTSB-XUJVJEKNSA-N 2 0 250.361 2.644 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000037644048 372677435 /nfs/dbraw/zinc/67/74/35/372677435.db2.gz WABLRMGFPXWJRK-STQMWFEESA-N 2 0 250.361 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC)cc2)C1 ZINC000037644429 372682010 /nfs/dbraw/zinc/68/20/10/372682010.db2.gz JQXXJHBQVHTHNQ-DOTOQJQBSA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccc2cc([C@@H](C)[NH2+]CCC[NH3+])ccc2c1 ZINC000037713425 372690490 /nfs/dbraw/zinc/69/04/90/372690490.db2.gz GHAHGIAMCNOKHT-GFCCVEGCSA-N 2 0 258.365 2.848 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000037786493 372710205 /nfs/dbraw/zinc/71/02/05/372710205.db2.gz QQRSPKGMROFGJG-UHFFFAOYSA-N 2 0 256.459 2.735 20 0 CFADRP CCc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)n1 ZINC000333117905 205043118 /nfs/dbraw/zinc/04/31/18/205043118.db2.gz HSMICUUXTXLOIO-FKZOYECMSA-N 2 0 292.427 2.518 20 0 CFADRP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000571327369 383684527 /nfs/dbraw/zinc/68/45/27/383684527.db2.gz WKTYQPBQFBECKV-ZBFHGGJFSA-N 2 0 250.430 2.888 20 0 CFADRP C[N@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000037901156 372734280 /nfs/dbraw/zinc/73/42/80/372734280.db2.gz JZYGWQJMOZINAO-ZNXRZULTSA-N 2 0 293.499 2.856 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000041665309 372857751 /nfs/dbraw/zinc/85/77/51/372857751.db2.gz UIADQDMAUZSSTF-IJEWVQPXSA-N 2 0 276.424 2.715 20 0 CFADRP C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000042440144 372923767 /nfs/dbraw/zinc/92/37/67/372923767.db2.gz ZPOFOVCMXFNTNL-CYBMUJFWSA-N 2 0 297.240 2.881 20 0 CFADRP C[N@@H+](Cc1ccccc1Br)CC1CC[NH2+]CC1 ZINC000042441267 372924376 /nfs/dbraw/zinc/92/43/76/372924376.db2.gz MEMOQEHDWZOMOE-UHFFFAOYSA-N 2 0 297.240 2.881 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000042427567 372921343 /nfs/dbraw/zinc/92/13/43/372921343.db2.gz AHEUJBGUQCJBBP-UHFFFAOYSA-N 2 0 258.818 2.962 20 0 CFADRP CCC[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000479968077 245630469 /nfs/dbraw/zinc/63/04/69/245630469.db2.gz YKWOLJAFAPPPDO-YESZJQIVSA-N 2 0 258.409 2.722 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000042895826 372966447 /nfs/dbraw/zinc/96/64/47/372966447.db2.gz CEQJLBICVIDXJM-ZMSDIMECSA-N 2 0 276.424 2.692 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044533071 373003906 /nfs/dbraw/zinc/00/39/06/373003906.db2.gz QLTNVLSHGXWZAN-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044532536 373005757 /nfs/dbraw/zinc/00/57/57/373005757.db2.gz AAPXAAMDXAGVKQ-MRXNPFEDSA-N 2 0 276.424 2.905 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000044535859 373005823 /nfs/dbraw/zinc/00/58/23/373005823.db2.gz CRUFDWBFJYBKPU-CYBMUJFWSA-N 2 0 284.350 2.719 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2c(c1)OCCCO2 ZINC000045663191 373026165 /nfs/dbraw/zinc/02/61/65/373026165.db2.gz OYEOYFPQCQTIAL-AWEZNQCLSA-N 2 0 292.423 2.840 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663882 373027461 /nfs/dbraw/zinc/02/74/61/373027461.db2.gz AIWYLRHLXBNEJP-CQSZACIVSA-N 2 0 264.413 2.558 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1ccc(Br)s1 ZINC000045598302 373023218 /nfs/dbraw/zinc/02/32/18/373023218.db2.gz OJIZPTOIBJVNMX-UHFFFAOYSA-N 2 0 291.258 2.942 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000051756180 373409275 /nfs/dbraw/zinc/40/92/75/373409275.db2.gz DJHPVSKGMYVYSZ-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000051919518 373417804 /nfs/dbraw/zinc/41/78/04/373417804.db2.gz GADSRASGNHFGES-CYBMUJFWSA-N 2 0 250.361 2.647 20 0 CFADRP C[N@H+](Cc1cccc(Br)c1)CC(C)(C)C[NH3+] ZINC000051255130 373392198 /nfs/dbraw/zinc/39/21/98/373392198.db2.gz VTERDFDQHSYMOL-UHFFFAOYSA-N 2 0 285.229 2.866 20 0 CFADRP CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000571414613 383692554 /nfs/dbraw/zinc/69/25/54/383692554.db2.gz UWQWHFBWASTLKI-YPMHNXCESA-N 2 0 294.370 2.535 20 0 CFADRP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000063158807 373789223 /nfs/dbraw/zinc/78/92/23/373789223.db2.gz WJEZGOXHKWICPM-LBPRGKRZSA-N 2 0 250.361 2.818 20 0 CFADRP c1ccc(OCCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063201027 373797151 /nfs/dbraw/zinc/79/71/51/373797151.db2.gz YCSLGBXFDKCGFX-GOSISDBHSA-N 2 0 288.435 2.920 20 0 CFADRP C[C@@H]([NH3+])c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000571432682 383695022 /nfs/dbraw/zinc/69/50/22/383695022.db2.gz PTJWQYRYPXNFQI-CQSZACIVSA-N 2 0 262.397 2.961 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000066057123 373909240 /nfs/dbraw/zinc/90/92/40/373909240.db2.gz GEGXOWPKLFXNRI-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070149980 374129507 /nfs/dbraw/zinc/12/95/07/374129507.db2.gz ISWPGXZDKVXTRB-HNNXBMFYSA-N 2 0 262.397 2.577 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1F ZINC000070148724 374130685 /nfs/dbraw/zinc/13/06/85/374130685.db2.gz ULSBXVXEYMIJHC-AWEZNQCLSA-N 2 0 250.361 2.837 20 0 CFADRP CC[C@@H]1C[N@H+](CC)CCN1CC[NH+](C)Cc1ccccc1 ZINC000451746314 383697563 /nfs/dbraw/zinc/69/75/63/383697563.db2.gz ZCWBNBMELUZNSZ-GOSISDBHSA-N 2 0 289.467 2.535 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000571461344 383697724 /nfs/dbraw/zinc/69/77/24/383697724.db2.gz ICQNDEXKCJQILU-JKSUJKDBSA-N 2 0 276.424 2.932 20 0 CFADRP CC(C)c1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000070171034 374138158 /nfs/dbraw/zinc/13/81/58/374138158.db2.gz FHQCXBTUQJNQAV-GFCCVEGCSA-N 2 0 267.442 2.827 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccoc2C)[C@H](C)C1 ZINC000490418389 246007701 /nfs/dbraw/zinc/00/77/01/246007701.db2.gz DVLRBSCPYKGXBC-IUODEOHRSA-N 2 0 250.386 2.750 20 0 CFADRP CCCC[C@H](CC)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491247606 246053576 /nfs/dbraw/zinc/05/35/76/246053576.db2.gz FKHIMPPZEWMDRX-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491598685 246085408 /nfs/dbraw/zinc/08/54/08/246085408.db2.gz JNTYPZVUIUSVQL-ZDUSSCGKSA-N 2 0 264.413 2.545 20 0 CFADRP Cc1ccc(/C=C/C(=O)Nc2cnccc2-n2ccnc2)o1 ZINC000491892039 246113806 /nfs/dbraw/zinc/11/38/06/246113806.db2.gz KFXUMZIUQFZKFQ-SNAWJCMRSA-N 2 0 294.314 2.821 20 0 CFADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000334146090 206075200 /nfs/dbraw/zinc/07/52/00/206075200.db2.gz BKNVKEXRZFAXJC-OAHLLOKOSA-N 2 0 293.480 2.924 20 0 CFADRP c1ccc2c(c1)n[nH]c2C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000678139213 541960237 /nfs/dbraw/zinc/96/02/37/541960237.db2.gz OEGDEMNAVCYXMP-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678120984 541955348 /nfs/dbraw/zinc/95/53/48/541955348.db2.gz UMEFKADUWAGNMF-OAHLLOKOSA-N 2 0 276.424 2.859 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000678137817 541961186 /nfs/dbraw/zinc/96/11/86/541961186.db2.gz VQSYEESGBDNANW-OAHLLOKOSA-N 2 0 294.464 2.564 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1(C)C ZINC000085380417 374802124 /nfs/dbraw/zinc/80/21/24/374802124.db2.gz TUONMKJSLSKJAQ-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000084220150 374770094 /nfs/dbraw/zinc/77/00/94/374770094.db2.gz WBRYKEGIVWYQLV-WPRPVWTQSA-N 2 0 289.242 2.728 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089140544 374873349 /nfs/dbraw/zinc/87/33/49/374873349.db2.gz CNNRTJGDVIBGEC-MJEQTWJJSA-N 2 0 289.423 2.813 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(F)c(F)c1 ZINC000089552281 374922905 /nfs/dbraw/zinc/92/29/05/374922905.db2.gz AUXVUHKJZWPHJX-HSMVNMDESA-N 2 0 298.377 2.662 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1 ZINC000089722560 374943145 /nfs/dbraw/zinc/94/31/45/374943145.db2.gz UOLURTTWPIKDDG-KCYZZUKISA-N 2 0 276.424 2.772 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1 ZINC000089749209 374943901 /nfs/dbraw/zinc/94/39/01/374943901.db2.gz CCMSUQAIMVUQRO-LBPRGKRZSA-N 2 0 252.789 2.771 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccnc1 ZINC000092739726 375146873 /nfs/dbraw/zinc/14/68/73/375146873.db2.gz XKVCMPBVCOJJRN-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000092804627 375157134 /nfs/dbraw/zinc/15/71/34/375157134.db2.gz KBSCBJBTQZRDJN-UPJWGTAASA-N 2 0 252.446 2.987 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000092565110 375125023 /nfs/dbraw/zinc/12/50/23/375125023.db2.gz JJDYNBPAUYXCQB-FUHWJXTLSA-N 2 0 295.515 2.676 20 0 CFADRP C1CC1N1CCC([NH2+][C@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000093489364 375254088 /nfs/dbraw/zinc/25/40/88/375254088.db2.gz MRTLKAUXROFMGF-KURKYZTESA-N 2 0 291.483 2.514 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(COC)cc2)[C@H](C)C1 ZINC000093638971 375278374 /nfs/dbraw/zinc/27/83/74/375278374.db2.gz IZADBVWQHAUNMX-CRAIPNDOSA-N 2 0 290.451 2.995 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccco2)CC1 ZINC000093688319 375297095 /nfs/dbraw/zinc/29/70/95/375297095.db2.gz RBIOKJFMZHUKLX-UHFFFAOYSA-N 2 0 250.386 2.833 20 0 CFADRP COc1cccc([C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093861140 375322670 /nfs/dbraw/zinc/32/26/70/375322670.db2.gz UKBLHQRHZKUASC-GFCCVEGCSA-N 2 0 250.386 2.673 20 0 CFADRP CCCCOCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093515925 375262246 /nfs/dbraw/zinc/26/22/46/375262246.db2.gz LXCBDKFHMSPYKN-LSDHHAIUSA-N 2 0 256.434 2.704 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000093515346 375262382 /nfs/dbraw/zinc/26/23/82/375262382.db2.gz PCRCQFUHMFTOOU-IIAWOOMASA-N 2 0 290.455 2.698 20 0 CFADRP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000093942404 375332385 /nfs/dbraw/zinc/33/23/85/375332385.db2.gz WSOFODPXYLOVGA-MHORFTMASA-N 2 0 295.515 2.817 20 0 CFADRP CC[N@H+](CC1CC[NH2+]CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000094011530 375335719 /nfs/dbraw/zinc/33/57/19/375335719.db2.gz ISJUEAODZJCTHL-OAHLLOKOSA-N 2 0 290.451 2.948 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000094069876 375338418 /nfs/dbraw/zinc/33/84/18/375338418.db2.gz OPIGFOTWOOPFFG-UHFFFAOYSA-N 2 0 288.844 2.731 20 0 CFADRP C[C@@H](c1ccccc1F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070124 375338755 /nfs/dbraw/zinc/33/87/55/375338755.db2.gz ANKAFWFJZNJGNY-ZDUSSCGKSA-N 2 0 280.387 2.717 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070566 375340450 /nfs/dbraw/zinc/34/04/50/375340450.db2.gz ATOMRHGBSWWRTE-LBPRGKRZSA-N 2 0 298.377 2.856 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094370358 375357512 /nfs/dbraw/zinc/35/75/12/375357512.db2.gz FORRGEOAKDIEOF-HZPDHXFCSA-N 2 0 298.496 2.505 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000094877469 375386356 /nfs/dbraw/zinc/38/63/56/375386356.db2.gz CHSZAMKFZUFQEP-VHRBIJSZSA-N 2 0 252.427 2.875 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000094874985 375387019 /nfs/dbraw/zinc/38/70/19/375387019.db2.gz ZJXLYRHZUZUALF-YNEHKIRRSA-N 2 0 252.427 2.875 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2n[nH]c3ccccc32)[C@H](C)C1 ZINC000678277676 541997503 /nfs/dbraw/zinc/99/75/03/541997503.db2.gz MXDSEENZDHNMGP-DYVFJYSZSA-N 2 0 286.423 2.725 20 0 CFADRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000678277399 541998051 /nfs/dbraw/zinc/99/80/51/541998051.db2.gz UICUBNTVXQKYEQ-HUUCEWRRSA-N 2 0 276.424 2.857 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000678301930 542003043 /nfs/dbraw/zinc/00/30/43/542003043.db2.gz GDOYVPKUTQFFCQ-ZACQAIPSSA-N 2 0 295.515 2.817 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000678285014 541999798 /nfs/dbraw/zinc/99/97/98/541999798.db2.gz LNRKLUXIARZSLW-KRWDZBQOSA-N 2 0 288.435 2.859 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000500993798 247099613 /nfs/dbraw/zinc/09/96/13/247099613.db2.gz RDCCKVRIXKLJAU-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000678584384 542044800 /nfs/dbraw/zinc/04/48/00/542044800.db2.gz USJBUMCAAWXEQY-BLLLJJGKSA-N 2 0 292.398 2.969 20 0 CFADRP C[C@H]([NH2+]CCc1cccc(F)c1F)C1CC[NH+](C)CC1 ZINC000678585958 542045086 /nfs/dbraw/zinc/04/50/86/542045086.db2.gz REBCKYYTYAZIPM-LBPRGKRZSA-N 2 0 282.378 2.827 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@@H]2CCC[C@H]21 ZINC000513707352 247224141 /nfs/dbraw/zinc/22/41/41/247224141.db2.gz BQLRSTOOWZBIJF-CWRNSKLLSA-N 2 0 294.389 2.970 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000678599270 542049116 /nfs/dbraw/zinc/04/91/16/542049116.db2.gz XMFFCSQFLSWJIM-HOCLYGCPSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000111695893 375864461 /nfs/dbraw/zinc/86/44/61/375864461.db2.gz FETLEJNHGJWCJG-CABCVRRESA-N 2 0 262.397 2.515 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000111611925 375858341 /nfs/dbraw/zinc/85/83/41/375858341.db2.gz AWHMQHTYQYKABO-CQSZACIVSA-N 2 0 262.397 2.515 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000678772867 542067958 /nfs/dbraw/zinc/06/79/58/542067958.db2.gz SFEUSRZMLMOAKL-KRWDZBQOSA-N 2 0 295.515 2.818 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000678773765 542068031 /nfs/dbraw/zinc/06/80/31/542068031.db2.gz SRSQDFUPGNWGGB-QAPCUYQASA-N 2 0 290.451 2.615 20 0 CFADRP CCCOc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000571623002 383710841 /nfs/dbraw/zinc/71/08/41/383710841.db2.gz PUENTARRYZBQLI-HNNXBMFYSA-N 2 0 276.424 2.955 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000117883622 376267100 /nfs/dbraw/zinc/26/71/00/376267100.db2.gz NKWHUPNIKYFIBP-CQSZACIVSA-N 2 0 264.438 2.662 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCCCOC)CC1 ZINC000344206392 284582298 /nfs/dbraw/zinc/58/22/98/284582298.db2.gz ZQEKCDGITOPJQJ-UHFFFAOYSA-N 2 0 270.461 2.857 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1NCCC[NH+](C)C1CCCCC1 ZINC000120766911 376685971 /nfs/dbraw/zinc/68/59/71/376685971.db2.gz RMSPARHTBLLVKS-RDJZCZTQSA-N 2 0 281.488 2.571 20 0 CFADRP COC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C(C)C ZINC000120954117 376731914 /nfs/dbraw/zinc/73/19/14/376731914.db2.gz OXUKUMAGMKMFIO-INIZCTEOSA-N 2 0 282.403 2.648 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189937351 284608464 /nfs/dbraw/zinc/60/84/64/284608464.db2.gz LNSPAWKRUGVMAZ-AWEZNQCLSA-N 2 0 295.475 2.633 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000123662769 376965229 /nfs/dbraw/zinc/96/52/29/376965229.db2.gz MIRYACDDAPQHGE-HNNXBMFYSA-N 2 0 268.376 2.510 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000571696605 383718078 /nfs/dbraw/zinc/71/80/78/383718078.db2.gz CKLXSGFYOBZMQB-ZWKOTPCHSA-N 2 0 290.451 2.820 20 0 CFADRP COC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000126051962 377209020 /nfs/dbraw/zinc/20/90/20/377209020.db2.gz JIMQPLZQOHXUPP-CYBMUJFWSA-N 2 0 256.434 2.556 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000126421205 377226110 /nfs/dbraw/zinc/22/61/10/377226110.db2.gz OIJMBOYRKDKTEB-RHSMWYFYSA-N 2 0 292.471 2.790 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)n1 ZINC000126420959 377226727 /nfs/dbraw/zinc/22/67/27/377226727.db2.gz OIJMBOYRKDKTEB-WMLDXEAASA-N 2 0 292.471 2.790 20 0 CFADRP CCn1cc([C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000125879595 377199556 /nfs/dbraw/zinc/19/95/56/377199556.db2.gz SSGUKYUTMNRBRN-GJZGRUSLSA-N 2 0 278.444 2.674 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCOC1 ZINC000125931442 377202066 /nfs/dbraw/zinc/20/20/66/377202066.db2.gz NCERENYAUONPQD-HRCADAONSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000126002344 377207443 /nfs/dbraw/zinc/20/74/43/377207443.db2.gz KYZAJORBNKKMBI-LSDHHAIUSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000127460907 377284072 /nfs/dbraw/zinc/28/40/72/377284072.db2.gz BWPBAQCQTKHPPJ-NFAWXSAZSA-N 2 0 280.387 2.523 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000129436073 377427558 /nfs/dbraw/zinc/42/75/58/377427558.db2.gz OKMWSOPECUXXFP-KRWDZBQOSA-N 2 0 290.451 2.874 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000129628775 377453629 /nfs/dbraw/zinc/45/36/29/377453629.db2.gz DYECFDCSDHZNJO-HOTGVXAUSA-N 2 0 275.440 2.585 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)CC2 ZINC000129611380 377452191 /nfs/dbraw/zinc/45/21/91/377452191.db2.gz GEHMGZUIVNYNMF-XKQJLSEDSA-N 2 0 288.435 2.625 20 0 CFADRP COC1CCC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000129813469 377475647 /nfs/dbraw/zinc/47/56/47/377475647.db2.gz WXZPHPRPNYRZGR-FHERZECASA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000679334139 542171104 /nfs/dbraw/zinc/17/11/04/542171104.db2.gz IHECIFWPWUURAA-HOTGVXAUSA-N 2 0 270.461 2.782 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000679334322 542171260 /nfs/dbraw/zinc/17/12/60/542171260.db2.gz PDCUTBKWPXQRLG-CVEARBPZSA-N 2 0 270.461 2.639 20 0 CFADRP FC(F)(F)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000130358674 377542334 /nfs/dbraw/zinc/54/23/34/377542334.db2.gz BOYCMRPALLPYTE-UHFFFAOYSA-N 2 0 287.329 2.983 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000130533027 377572244 /nfs/dbraw/zinc/57/22/44/377572244.db2.gz XLFRMFCFZKVYNC-GUTXKFCHSA-N 2 0 294.826 2.908 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]CC3=CCCOC3)CC2)CC1 ZINC000131088666 377656346 /nfs/dbraw/zinc/65/63/46/377656346.db2.gz GZMHKRMQZJFUSG-UHFFFAOYSA-N 2 0 292.467 2.966 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000131546573 377727367 /nfs/dbraw/zinc/72/73/67/377727367.db2.gz XPZIMKVLDJBEFB-OLZOCXBDSA-N 2 0 271.364 2.511 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131680397 377746829 /nfs/dbraw/zinc/74/68/29/377746829.db2.gz OBMBTFQMZCOILK-ZFWWWQNUSA-N 2 0 262.397 2.643 20 0 CFADRP CSc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131748245 377756068 /nfs/dbraw/zinc/75/60/68/377756068.db2.gz XRZHUFUZHYHRNH-AAEUAGOBSA-N 2 0 250.411 2.578 20 0 CFADRP CCC(CC)[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000132300082 377824995 /nfs/dbraw/zinc/82/49/95/377824995.db2.gz OPJNAESPVDNCEG-KBAYOESNSA-N 2 0 295.515 2.959 20 0 CFADRP C[N@H+](CCn1ccnc1)Cc1ccc(Cl)c(F)c1 ZINC000133766266 377955551 /nfs/dbraw/zinc/95/55/51/377955551.db2.gz HJDBICDAFASGTK-UHFFFAOYSA-N 2 0 267.735 2.808 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133089122 377902347 /nfs/dbraw/zinc/90/23/47/377902347.db2.gz RNOSDWJWFOTDHF-IOASZLSFSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cc1ccccc1F ZINC000133911321 377967484 /nfs/dbraw/zinc/96/74/84/377967484.db2.gz BSVQVARALVPWCC-CHWSQXEVSA-N 2 0 252.377 2.687 20 0 CFADRP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000133981177 377973642 /nfs/dbraw/zinc/97/36/42/377973642.db2.gz OWZPCOFSRNRVTI-FUHWJXTLSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000134002799 377974927 /nfs/dbraw/zinc/97/49/27/377974927.db2.gz LLUFTDRBPFMVBL-IRXDYDNUSA-N 2 0 280.456 2.681 20 0 CFADRP c1cc2cccc(C[NH2+]CCC[NH+]3CCCC3)c2[nH]1 ZINC000134522566 378026055 /nfs/dbraw/zinc/02/60/55/378026055.db2.gz AWTDBWIXTBICTG-UHFFFAOYSA-N 2 0 257.381 2.743 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2c2ccccn2)CC[NH2+]1 ZINC000571769814 383726028 /nfs/dbraw/zinc/72/60/28/383726028.db2.gz APFVJAGAZJEWGA-YCPHGPKFSA-N 2 0 259.397 2.607 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135880857 378166743 /nfs/dbraw/zinc/16/67/43/378166743.db2.gz MHXPFJWWSYQUNQ-CMPLNLGQSA-N 2 0 272.314 2.875 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000149109171 378262448 /nfs/dbraw/zinc/26/24/48/378262448.db2.gz YFPMMMIPZDEQGZ-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC000151553290 378335919 /nfs/dbraw/zinc/33/59/19/378335919.db2.gz RHOGHDZFXJZWFC-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC(C)(C)[NH+]1CCCCC1 ZINC000152671255 378437176 /nfs/dbraw/zinc/43/71/76/378437176.db2.gz VYJHENDTFALKCP-OWCLPIDISA-N 2 0 281.488 2.569 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCN2C)cc1 ZINC000154512897 378574020 /nfs/dbraw/zinc/57/40/20/378574020.db2.gz NNAMUUUGRKSVKO-DOTOQJQBSA-N 2 0 260.425 3.000 20 0 CFADRP CC1CCC(O)(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000156164561 378637053 /nfs/dbraw/zinc/63/70/53/378637053.db2.gz PPBQSILUNHMLCK-LXPRWKDFSA-N 2 0 294.483 2.878 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000155125860 378613893 /nfs/dbraw/zinc/61/38/93/378613893.db2.gz VTFLTVQRJLPMDO-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(O)cc2)c2ccccc21 ZINC000157418395 378654644 /nfs/dbraw/zinc/65/46/44/378654644.db2.gz CZWOIVUVWLBUOK-DLBZAZTESA-N 2 0 268.360 2.669 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000157615055 378655460 /nfs/dbraw/zinc/65/54/60/378655460.db2.gz TZONZRDDMABXQX-XIRDDKMYSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000157923134 378660751 /nfs/dbraw/zinc/66/07/51/378660751.db2.gz HDPKQIZTLSJHMU-HNNXBMFYSA-N 2 0 278.440 2.779 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000331391271 378681537 /nfs/dbraw/zinc/68/15/37/378681537.db2.gz QFIBYAIFSAIHLI-NQBHXWOUSA-N 2 0 265.426 2.546 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000331828853 378715396 /nfs/dbraw/zinc/71/53/96/378715396.db2.gz QCUVELDRTMZYSY-SGMGOOAPSA-N 2 0 279.453 2.936 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000332181488 378733802 /nfs/dbraw/zinc/73/38/02/378733802.db2.gz ABXFDERBVDTPLH-XKQJLSEDSA-N 2 0 274.408 2.877 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(OC)c2)[C@H](C)C1 ZINC000161781836 378871989 /nfs/dbraw/zinc/87/19/89/378871989.db2.gz CNGAFWZZNHTCJI-GDBMZVCRSA-N 2 0 276.424 2.824 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000162884358 378940969 /nfs/dbraw/zinc/94/09/69/378940969.db2.gz HWZLAZUJIVBEED-QGZVFWFLSA-N 2 0 288.435 2.970 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000334221292 378944337 /nfs/dbraw/zinc/94/43/37/378944337.db2.gz TUBXUNPMSIVICK-CRAIPNDOSA-N 2 0 293.499 2.713 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2)C1 ZINC000163269761 378962415 /nfs/dbraw/zinc/96/24/15/378962415.db2.gz VLZVUSAQPYLKDL-ZFWWWQNUSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000163390244 378969203 /nfs/dbraw/zinc/96/92/03/378969203.db2.gz YBNLUILTSSOCQN-BBRMVZONSA-N 2 0 269.392 2.652 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000278591838 194059288 /nfs/dbraw/zinc/05/92/88/194059288.db2.gz ZQKPCWALPRABNP-INIZCTEOSA-N 2 0 278.465 2.981 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccn1)c1cncs1 ZINC000163809791 378991427 /nfs/dbraw/zinc/99/14/27/378991427.db2.gz QWGQRBFTYXQIIR-LLVKDONJSA-N 2 0 262.382 2.691 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000335275649 379009583 /nfs/dbraw/zinc/00/95/83/379009583.db2.gz BUUIFOHINFXWOX-UHFFFAOYSA-N 2 0 252.789 2.798 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@@H]2CCn3ccnc3C2)c(F)c1 ZINC000335278068 379014614 /nfs/dbraw/zinc/01/46/14/379014614.db2.gz LNTPHVOQGWURHW-LLVKDONJSA-N 2 0 277.318 2.574 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C12CCC2 ZINC000164516950 379017045 /nfs/dbraw/zinc/01/70/45/379017045.db2.gz SDOBNLNNKNKUAD-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000335282221 379022906 /nfs/dbraw/zinc/02/29/06/379022906.db2.gz URUFSWIEUBJFEL-CYBMUJFWSA-N 2 0 292.398 2.798 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165339225 379037168 /nfs/dbraw/zinc/03/71/68/379037168.db2.gz YPIOEMRUILGWGE-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000334296044 379048685 /nfs/dbraw/zinc/04/86/85/379048685.db2.gz XVZATIANFCNSMF-BFWZDYSYSA-N 3 0 293.499 2.569 20 0 CFADRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000166426793 379054112 /nfs/dbraw/zinc/05/41/12/379054112.db2.gz DOELNRYTKXTNQE-KRWDZBQOSA-N 2 0 293.430 2.504 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CN(C)C[C@H]3C)ccc2[nH]1 ZINC000335308237 379054758 /nfs/dbraw/zinc/05/47/58/379054758.db2.gz LTMYLVZAFHFHBT-BDJLRTHQSA-N 2 0 257.381 2.516 20 0 CFADRP [NH3+]C1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000334307826 379068389 /nfs/dbraw/zinc/06/83/89/379068389.db2.gz IAMOSAKJVZWEKQ-UHFFFAOYSA-N 2 0 279.434 2.795 20 0 CFADRP COC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CCCCC1 ZINC000334337856 379118411 /nfs/dbraw/zinc/11/84/11/379118411.db2.gz WYGPBSBLJUMQIS-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP Cc1cnccc1OC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000278796176 194159165 /nfs/dbraw/zinc/15/91/65/194159165.db2.gz WDFHEQCTLMGUMY-AWEZNQCLSA-N 2 0 292.448 2.986 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000278846323 194181092 /nfs/dbraw/zinc/18/10/92/194181092.db2.gz VHBNSHIIXIVBGR-HIFRSBDPSA-N 2 0 282.428 2.904 20 0 CFADRP Clc1sccc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000334445473 379312077 /nfs/dbraw/zinc/31/20/77/379312077.db2.gz JJKFDSBGRSUUTP-SECBINFHSA-N 2 0 267.785 2.772 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335482255 379377650 /nfs/dbraw/zinc/37/76/50/379377650.db2.gz CVQFBPPRWBQMPT-SJORKVTESA-N 2 0 258.409 2.838 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335516162 379435762 /nfs/dbraw/zinc/43/57/62/379435762.db2.gz IFGVVOLFHXXYSI-GOEBONIOSA-N 2 0 274.408 2.798 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000335516215 379436304 /nfs/dbraw/zinc/43/63/04/379436304.db2.gz JETBZHGEIYPCRV-IRXDYDNUSA-N 2 0 279.472 2.643 20 0 CFADRP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335517396 379437823 /nfs/dbraw/zinc/43/78/23/379437823.db2.gz KAZOYGAIOMWNLZ-ABAIWWIYSA-N 2 0 264.800 2.917 20 0 CFADRP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000335502756 379413350 /nfs/dbraw/zinc/41/33/50/379413350.db2.gz YZJQBVZNFOVSCJ-GOSISDBHSA-N 2 0 298.430 2.898 20 0 CFADRP Cc1cccc2ncc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n21 ZINC000335545181 379486766 /nfs/dbraw/zinc/48/67/66/379486766.db2.gz XSDSRMUHHPCWRE-OAHLLOKOSA-N 2 0 298.434 2.607 20 0 CFADRP Cc1cc(CN2CC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000334585982 379579659 /nfs/dbraw/zinc/57/96/59/379579659.db2.gz MEJXTSMIOKQDHQ-LLVKDONJSA-N 2 0 258.287 2.547 20 0 CFADRP C[C@H]1CN(CCc2c(F)cccc2Cl)CC[C@@H]1[NH3+] ZINC000334591302 379587483 /nfs/dbraw/zinc/58/74/83/379587483.db2.gz JBKQXRJVUOGDCF-HZMBPMFUSA-N 2 0 270.779 2.691 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635222 379637317 /nfs/dbraw/zinc/63/73/17/379637317.db2.gz RYAKBWVKNQAAKG-ZIAGYGMSSA-N 2 0 264.438 2.878 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000173319624 379725615 /nfs/dbraw/zinc/72/56/15/379725615.db2.gz DNVAJALOZCPFCA-KRWDZBQOSA-N 2 0 289.467 2.755 20 0 CFADRP CC(C)(C)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173951911 379807420 /nfs/dbraw/zinc/80/74/20/379807420.db2.gz KTHXTFVYSMPAFL-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP Cc1nc2ccccn2c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335739216 379810627 /nfs/dbraw/zinc/81/06/27/379810627.db2.gz MCLXZJPVYDPCJW-ZFWWWQNUSA-N 2 0 286.423 2.557 20 0 CFADRP C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000335738112 379808365 /nfs/dbraw/zinc/80/83/65/379808365.db2.gz NODASPSKLNUABB-LSDHHAIUSA-N 2 0 268.470 2.736 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)c1 ZINC000334765435 379908898 /nfs/dbraw/zinc/90/88/98/379908898.db2.gz YENHXRCTSPREFK-OALUTQOASA-N 2 0 293.414 2.932 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000174355074 379870992 /nfs/dbraw/zinc/87/09/92/379870992.db2.gz SUHNBAOSRSAJOZ-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CC(C)OCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404851 379878129 /nfs/dbraw/zinc/87/81/29/379878129.db2.gz MKSWEOJHZIOSKL-GOSISDBHSA-N 2 0 290.451 2.865 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000335841763 379977422 /nfs/dbraw/zinc/97/74/22/379977422.db2.gz HLXUZKYVZBNSJJ-QWRGUYRKSA-N 2 0 262.328 2.741 20 0 CFADRP Clc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000334844840 379931774 /nfs/dbraw/zinc/93/17/74/379931774.db2.gz VRUPCXKPGOCJSX-XHDPSFHLSA-N 2 0 264.800 2.917 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998353 379953106 /nfs/dbraw/zinc/95/31/06/379953106.db2.gz PFRXSRLPTUHMTH-NHYWBVRUSA-N 2 0 264.800 2.998 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000335007787 379954695 /nfs/dbraw/zinc/95/46/95/379954695.db2.gz JQCBAZIKONMVGV-GJZGRUSLSA-N 2 0 264.800 2.998 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335015463 379956207 /nfs/dbraw/zinc/95/62/07/379956207.db2.gz YYDQMNWBTXQZKP-DOTOQJQBSA-N 2 0 258.409 2.794 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000335017580 379957442 /nfs/dbraw/zinc/95/74/42/379957442.db2.gz ZPOWAUMMBVUNPT-DYVFJYSZSA-N 2 0 258.409 2.651 20 0 CFADRP C[C@H]1CCC[C@H](C)C1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335036986 379960896 /nfs/dbraw/zinc/96/08/96/379960896.db2.gz YSGASFRNIOQVJI-JUVOFCAFSA-N 2 0 293.499 2.617 20 0 CFADRP CCc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000335149606 379984379 /nfs/dbraw/zinc/98/43/79/379984379.db2.gz OWIVDOGPKPXNET-RDJZCZTQSA-N 2 0 273.424 2.560 20 0 CFADRP C[C@H]1CN(Cc2cc3cc(F)ccc3o2)CC[C@@H]1[NH3+] ZINC000335899221 380072527 /nfs/dbraw/zinc/07/25/27/380072527.db2.gz RKXUGGRRZWYAHH-HZMBPMFUSA-N 2 0 262.328 2.741 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335907127 380087312 /nfs/dbraw/zinc/08/73/12/380087312.db2.gz MHZGQRSGMWMGQN-ABAIWWIYSA-N 2 0 282.790 2.705 20 0 CFADRP Fc1cccc(Cl)c1CCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335908079 380088208 /nfs/dbraw/zinc/08/82/08/380088208.db2.gz BCUUNXUPKILJHZ-NEPJUHHUSA-N 2 0 282.790 2.563 20 0 CFADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000335231009 380047883 /nfs/dbraw/zinc/04/78/83/380047883.db2.gz PTOQDQIBMUMTNI-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335950813 380149650 /nfs/dbraw/zinc/14/96/50/380149650.db2.gz FQQOVZRNROEWDE-GXFFZTMASA-N 2 0 258.356 2.637 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000335917544 380105146 /nfs/dbraw/zinc/10/51/46/380105146.db2.gz STTRVXHJFZQVKV-OCCSQVGLSA-N 2 0 274.408 2.569 20 0 CFADRP c1csc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000336021878 380249609 /nfs/dbraw/zinc/24/96/09/380249609.db2.gz QQJZQFXKWVXKAP-CYBMUJFWSA-N 2 0 250.411 2.570 20 0 CFADRP Cc1ccc(F)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000336005399 380224205 /nfs/dbraw/zinc/22/42/05/380224205.db2.gz YHJCKRDQVOOKTG-ZDUSSCGKSA-N 2 0 259.328 2.504 20 0 CFADRP COc1nc2ccccc2cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000571999927 383744928 /nfs/dbraw/zinc/74/49/28/383744928.db2.gz CAZJJNPMEGPICT-CYBMUJFWSA-N 2 0 299.418 2.803 20 0 CFADRP c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccc4c3NCC4)C2)n1 ZINC000336495854 380365048 /nfs/dbraw/zinc/36/50/48/380365048.db2.gz UPDMRVDHQBWUMC-OAHLLOKOSA-N 2 0 282.391 2.757 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccsc2)[C@H](C)C1 ZINC000177727042 380374198 /nfs/dbraw/zinc/37/41/98/380374198.db2.gz OTINXKLLUQMMRC-TZMCWYRMSA-N 2 0 252.427 2.611 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CCC2)[C@H](C)C1 ZINC000177774622 380377743 /nfs/dbraw/zinc/37/77/43/380377743.db2.gz WAYAHYUOOMBOBR-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000336514315 380393391 /nfs/dbraw/zinc/39/33/91/380393391.db2.gz NDAKAGJWWSXXGP-OLZOCXBDSA-N 2 0 250.411 2.773 20 0 CFADRP Cc1[nH+]ccc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1Cl ZINC000336442489 380348342 /nfs/dbraw/zinc/34/83/42/380348342.db2.gz ZCFPOFHKXIPUNA-YPMHNXCESA-N 2 0 265.788 2.574 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000178400126 380448632 /nfs/dbraw/zinc/44/86/32/380448632.db2.gz WOPAGGZWVYVFBW-WFASDCNBSA-N 2 0 280.460 2.746 20 0 CFADRP COCCC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000178400688 380448743 /nfs/dbraw/zinc/44/87/43/380448743.db2.gz GAUMAMCMMNUYDX-ZIAGYGMSSA-N 2 0 258.450 2.758 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(Cc3nc(C4CC4)cs3)C2)C1 ZINC000336550802 380454079 /nfs/dbraw/zinc/45/40/79/380454079.db2.gz ACAWCGFUVXGWML-MRXNPFEDSA-N 2 0 291.464 2.938 20 0 CFADRP C[C@H]1C[N@H+](CC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000336574673 380489746 /nfs/dbraw/zinc/48/97/46/380489746.db2.gz RPGDSCZGJNEMHD-FUHWJXTLSA-N 2 0 293.499 2.525 20 0 CFADRP c1ccc([C@@H]2CSCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178957120 380496742 /nfs/dbraw/zinc/49/67/42/380496742.db2.gz MVUQFLREYZJJIP-INIZCTEOSA-N 2 0 276.449 2.776 20 0 CFADRP CC[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178698854 380479260 /nfs/dbraw/zinc/47/92/60/380479260.db2.gz DVZILCUJSMLLDS-KRWDZBQOSA-N 2 0 289.467 2.977 20 0 CFADRP COCc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000179232930 380521829 /nfs/dbraw/zinc/52/18/29/380521829.db2.gz LDOYIYXCVDNUOZ-MSOLQXFVSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000336654689 380584034 /nfs/dbraw/zinc/58/40/34/380584034.db2.gz FDBINSITNWEPHL-OAHLLOKOSA-N 2 0 284.403 2.950 20 0 CFADRP CC[C@H](C)C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000179596702 380562828 /nfs/dbraw/zinc/56/28/28/380562828.db2.gz XLNZONCVVBIFKA-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000336785531 380631071 /nfs/dbraw/zinc/63/10/71/380631071.db2.gz DZBQFTCCCPQRHG-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000336677700 380588965 /nfs/dbraw/zinc/58/89/65/380588965.db2.gz AAEWGLPGNONKFK-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000336720893 380611807 /nfs/dbraw/zinc/61/18/07/380611807.db2.gz WSFVTCUSNNZVFR-UHFFFAOYSA-N 2 0 267.442 2.534 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000336807800 380665657 /nfs/dbraw/zinc/66/56/57/380665657.db2.gz NDFDLLYPFDGUQQ-JYJNAYRXSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H](CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000336811207 380671965 /nfs/dbraw/zinc/67/19/65/380671965.db2.gz LOKJGYGLXUFAIZ-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000572028776 383748304 /nfs/dbraw/zinc/74/83/04/383748304.db2.gz FXKMLOMRPNXGIX-CVYDXHPNSA-N 2 0 290.451 2.646 20 0 CFADRP CC(C)c1nccn1Cc1nccn1CC(F)(F)F ZINC000336805379 380660842 /nfs/dbraw/zinc/66/08/42/380660842.db2.gz YCDLBFJQJJTRLP-UHFFFAOYSA-N 2 0 272.274 2.814 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645791940 383749275 /nfs/dbraw/zinc/74/92/75/383749275.db2.gz CCDQRCDBEFYYGB-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1OC ZINC000181481315 380802641 /nfs/dbraw/zinc/80/26/41/380802641.db2.gz HMVIKMWYAAYSFH-IMJJTQAJSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(F)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000295372417 380815216 /nfs/dbraw/zinc/81/52/16/380815216.db2.gz OLYVLKVSQULTCR-OCCSQVGLSA-N 2 0 280.387 2.749 20 0 CFADRP C[C@H](CC[NH2+]CC[C@@H]1CCOC1)[N@H+](C)Cc1ccccc1 ZINC000400717742 380863604 /nfs/dbraw/zinc/86/36/04/380863604.db2.gz UXQZYCJNUAFXJT-SJLPKXTDSA-N 2 0 290.451 2.913 20 0 CFADRP FC(F)(F)CC[N@H+](CC1CC1)C[C@@H]1CCC[NH2+]C1 ZINC000346998918 380863858 /nfs/dbraw/zinc/86/38/58/380863858.db2.gz YMOSLIBQFMPYOB-GFCCVEGCSA-N 2 0 264.335 2.650 20 0 CFADRP c1ccc(NCCC[NH2+][C@@H]2CCOC3(CCC3)C2)nc1 ZINC000295455060 380866142 /nfs/dbraw/zinc/86/61/42/380866142.db2.gz QLFCMQNZWDVWPF-CQSZACIVSA-N 2 0 275.396 2.575 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400973660 380866838 /nfs/dbraw/zinc/86/68/38/380866838.db2.gz QQFRVEPGXJQODD-VDHUWJSZSA-N 2 0 272.436 2.985 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401025496 380867360 /nfs/dbraw/zinc/86/73/60/380867360.db2.gz UETMAOGJOOIRCK-LCGIIJARSA-N 2 0 274.408 2.734 20 0 CFADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(C)(C)[NH3+] ZINC000347003112 380867982 /nfs/dbraw/zinc/86/79/82/380867982.db2.gz KMJQBSCXZUDYEJ-DGCLKSJQSA-N 2 0 250.361 2.741 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000401108366 380869615 /nfs/dbraw/zinc/86/96/15/380869615.db2.gz FZFADSKQRUCRSM-ZGKBOVNRSA-N 2 0 292.398 2.873 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[C@H]1CCOC1 ZINC000402101244 380880767 /nfs/dbraw/zinc/88/07/67/380880767.db2.gz PFTXNSKQAZRRLF-MWDXBVQZSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000347015483 380878688 /nfs/dbraw/zinc/87/86/88/380878688.db2.gz JOMRABROWNILTI-HOCLYGCPSA-N 2 0 298.434 2.646 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)C1 ZINC000295427880 380847861 /nfs/dbraw/zinc/84/78/61/380847861.db2.gz NXIITMXVDQWCRZ-SJORKVTESA-N 2 0 290.451 2.876 20 0 CFADRP Clc1cccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346987026 380849805 /nfs/dbraw/zinc/84/98/05/380849805.db2.gz QLCCKAVNGLZZHU-LBPRGKRZSA-N 2 0 264.800 2.918 20 0 CFADRP C[C@H]([NH2+]CCCn1ccc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400439502 380860247 /nfs/dbraw/zinc/86/02/47/380860247.db2.gz MASDZTRFFAQDPA-GOEBONIOSA-N 2 0 271.408 2.762 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000287543059 380861380 /nfs/dbraw/zinc/86/13/80/380861380.db2.gz PJRXJTQHTAUKFZ-GOSISDBHSA-N 2 0 290.451 2.745 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000347082375 380928154 /nfs/dbraw/zinc/92/81/54/380928154.db2.gz YTCOKAIIOYFAHP-INIZCTEOSA-N 2 0 281.403 2.790 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)c3ncccc3c2)CC1 ZINC000347088453 380928779 /nfs/dbraw/zinc/92/87/79/380928779.db2.gz CPQMJDZUWSRXTA-UHFFFAOYSA-N 2 0 283.419 2.975 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000181739875 380881823 /nfs/dbraw/zinc/88/18/23/380881823.db2.gz TVLSUKBNSBUQRX-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP Clc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358495835 380882327 /nfs/dbraw/zinc/88/23/27/380882327.db2.gz HXIHEEICHSTBIV-UHFFFAOYSA-N 2 0 294.826 2.794 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000347017368 380883057 /nfs/dbraw/zinc/88/30/57/380883057.db2.gz DMMJMOAVAGHCNY-VXGBXAGGSA-N 2 0 293.480 2.827 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000181746036 380883765 /nfs/dbraw/zinc/88/37/65/380883765.db2.gz GRYIZVGWHKNKSB-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])CC(F)(F)F ZINC000402548583 380888157 /nfs/dbraw/zinc/88/81/57/380888157.db2.gz DBUCVUXRCWKKIY-HBNTYKKESA-N 2 0 252.324 2.682 20 0 CFADRP COc1ccc([C@H](C)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347032542 380891959 /nfs/dbraw/zinc/89/19/59/380891959.db2.gz BMROYPKLWRNKNV-ZIAGYGMSSA-N 2 0 276.424 2.858 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512964 380895851 /nfs/dbraw/zinc/89/58/51/380895851.db2.gz UTPFUNVAKBAZFP-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347037969 380896043 /nfs/dbraw/zinc/89/60/43/380896043.db2.gz GHCWPTJFYZZSIJ-INIZCTEOSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000353847166 380897148 /nfs/dbraw/zinc/89/71/48/380897148.db2.gz PNFQSCOKPXVOCX-CYBMUJFWSA-N 2 0 296.455 2.713 20 0 CFADRP CSC1(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCC1 ZINC000368213408 380956282 /nfs/dbraw/zinc/95/62/82/380956282.db2.gz ALJKOGDKVYKIGU-OAHLLOKOSA-N 2 0 282.497 2.936 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000353935185 380971121 /nfs/dbraw/zinc/97/11/21/380971121.db2.gz ZDSYDLNGZLHCKQ-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347160015 380975451 /nfs/dbraw/zinc/97/54/51/380975451.db2.gz GNJNEAMHWUCEAU-RDJZCZTQSA-N 2 0 260.425 2.926 20 0 CFADRP COc1ccc2ccccc2c1CN(C)[C@H](C)C[NH3+] ZINC000347097384 380934993 /nfs/dbraw/zinc/93/49/93/380934993.db2.gz IJCYOQFKLSSCLA-GFCCVEGCSA-N 2 0 258.365 2.627 20 0 CFADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCOC1 ZINC000411268452 381020456 /nfs/dbraw/zinc/02/04/56/381020456.db2.gz DGAQBMGCYQQTHY-SFHVURJKSA-N 2 0 288.435 2.893 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000353989183 381004616 /nfs/dbraw/zinc/00/46/16/381004616.db2.gz ZXBJOCNZLFPBBZ-QWRGUYRKSA-N 2 0 262.319 2.545 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000295778222 381069585 /nfs/dbraw/zinc/06/95/85/381069585.db2.gz ARXAADAIEYZZTF-LBPRGKRZSA-N 2 0 283.379 2.809 20 0 CFADRP OCC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000358769959 381070797 /nfs/dbraw/zinc/07/07/97/381070797.db2.gz ICXMFDZNMGPUBC-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@](C)(O)C3CC3)CC2)C1 ZINC000358717160 381032317 /nfs/dbraw/zinc/03/23/17/381032317.db2.gz QHQPZDHWPAUKKB-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289645983 381083280 /nfs/dbraw/zinc/08/32/80/381083280.db2.gz HZHDZROABSKGJK-ZIAGYGMSSA-N 2 0 292.423 2.783 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCC1 ZINC000368608331 381083688 /nfs/dbraw/zinc/08/36/88/381083688.db2.gz NOOLWOIKQXAAJV-MCIONIFRSA-N 2 0 268.470 2.735 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(O)c2)C1 ZINC000289645977 381083944 /nfs/dbraw/zinc/08/39/44/381083944.db2.gz HZHDZROABSKGJK-KGLIPLIRSA-N 2 0 292.423 2.783 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000354146256 381105734 /nfs/dbraw/zinc/10/57/34/381105734.db2.gz MYDZGIQURTZOAI-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)[C@@H](C)C1 ZINC000347387014 381114908 /nfs/dbraw/zinc/11/49/08/381114908.db2.gz BWXHQYOZIGCDAN-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1Cl ZINC000354172814 381118933 /nfs/dbraw/zinc/11/89/33/381118933.db2.gz RDDCGNSMILGXKU-CHWSQXEVSA-N 2 0 279.815 2.964 20 0 CFADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354166500 381119344 /nfs/dbraw/zinc/11/93/44/381119344.db2.gz LMZHWYBUJRSJQH-FUHWJXTLSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@@H](C[NH2+]CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000347333892 381077389 /nfs/dbraw/zinc/07/73/89/381077389.db2.gz QVYBASIWBYQZIC-MRXNPFEDSA-N 2 0 260.425 2.941 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368878183 381154189 /nfs/dbraw/zinc/15/41/89/381154189.db2.gz YUPOGMXNRSKMMQ-MWRSBEEJSA-N 2 0 286.419 2.925 20 0 CFADRP CC(C)OC1CC([NH2+]CCCCC[NH+]2CCCC2)C1 ZINC000354237607 381157639 /nfs/dbraw/zinc/15/76/39/381157639.db2.gz LECBQGRGVQVLOO-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000368922068 381164517 /nfs/dbraw/zinc/16/45/17/381164517.db2.gz VZKSVGOSSDSPRT-KRWDZBQOSA-N 2 0 281.488 2.525 20 0 CFADRP C1=C[C@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000182961723 381190129 /nfs/dbraw/zinc/19/01/29/381190129.db2.gz HHJVFLMWGLNXDY-SFHVURJKSA-N 2 0 292.467 2.920 20 0 CFADRP Cc1c[nH+]ccc1N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000369092309 381191973 /nfs/dbraw/zinc/19/19/73/381191973.db2.gz BEAHESLFTRXMOQ-WMZOPIPTSA-N 2 0 296.418 2.914 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3cc(O)cc(F)c3)C2)CC1 ZINC000369197504 381211311 /nfs/dbraw/zinc/21/13/11/381211311.db2.gz JDAYESWBQIHIQZ-UHFFFAOYSA-N 2 0 292.398 2.839 20 0 CFADRP COC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCC(C)CC1 ZINC000359014030 381216240 /nfs/dbraw/zinc/21/62/40/381216240.db2.gz KJLLJECDWPRCAK-CUQMJCILSA-N 2 0 282.472 2.900 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](Cc3ccno3)CC2)CC1 ZINC000368961045 381169513 /nfs/dbraw/zinc/16/95/13/381169513.db2.gz DJKZZIJVPBTTJZ-UHFFFAOYSA-N 2 0 277.412 2.619 20 0 CFADRP COC(=O)CC[N@H+](CCCc1cnccc1C)C(C)C ZINC000289998195 381253061 /nfs/dbraw/zinc/25/30/61/381253061.db2.gz KYEZKOUCZYZCAT-UHFFFAOYSA-N 2 0 278.396 2.596 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2C(C)C)CC1 ZINC000354353148 381221347 /nfs/dbraw/zinc/22/13/47/381221347.db2.gz SUJSDXGVKDZLPW-UHFFFAOYSA-N 2 0 278.444 2.676 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000289941930 381227104 /nfs/dbraw/zinc/22/71/04/381227104.db2.gz WCIDSUMNISINBD-STQMWFEESA-N 2 0 290.407 2.536 20 0 CFADRP CC[N@H+](Cc1ncc(CN(C)C)s1)C1CCCC1 ZINC000347586970 381239044 /nfs/dbraw/zinc/23/90/44/381239044.db2.gz LVDZBSPCRWPRPQ-UHFFFAOYSA-N 2 0 267.442 2.969 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183233668 381241969 /nfs/dbraw/zinc/24/19/69/381241969.db2.gz JGJMRRAMONCFCD-CQSZACIVSA-N 2 0 298.471 2.817 20 0 CFADRP CCS[C@H]1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000359189473 381287514 /nfs/dbraw/zinc/28/75/14/381287514.db2.gz LRIZNZIKPFLFCQ-GJZGRUSLSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359216342 381291029 /nfs/dbraw/zinc/29/10/29/381291029.db2.gz RCVXECCIRGNMRZ-ZDUSSCGKSA-N 2 0 262.397 2.775 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2(SC)CC2)CC1 ZINC000347675034 381291645 /nfs/dbraw/zinc/29/16/45/381291645.db2.gz SURRIRMGOSDWRE-UHFFFAOYSA-N 2 0 256.459 2.688 20 0 CFADRP C([NH2+][C@@H]1CCSC1)[C@H]1CCCN1C1CCCCC1 ZINC000369722628 381321150 /nfs/dbraw/zinc/32/11/50/381321150.db2.gz SMSXIAYOECNTCW-UKRRQHHQSA-N 2 0 268.470 2.879 20 0 CFADRP C[C@H]1CCC[C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000342442807 381334540 /nfs/dbraw/zinc/33/45/40/381334540.db2.gz MFDIWZSUNUPYCP-HOCLYGCPSA-N 2 0 291.439 2.690 20 0 CFADRP CC[NH+](CC)CCC[NH2+]CCCc1ccc(C)nc1 ZINC000354550381 381334860 /nfs/dbraw/zinc/33/48/60/381334860.db2.gz OHVVIPMBAKAGIU-UHFFFAOYSA-N 2 0 263.429 2.644 20 0 CFADRP C[C@H](CF)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290243330 381355681 /nfs/dbraw/zinc/35/56/81/381355681.db2.gz UWHKXXNXSMKYJD-YCPHGPKFSA-N 2 0 264.388 2.845 20 0 CFADRP CC[N@H+](CCCc1ccc(C)nc1)C[C@H](O)C(F)(F)F ZINC000354630694 381375474 /nfs/dbraw/zinc/37/54/74/381375474.db2.gz CYPDFOUFHHNCRI-ZDUSSCGKSA-N 2 0 290.329 2.568 20 0 CFADRP [O-]c1cccnc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000347916769 381412339 /nfs/dbraw/zinc/41/23/39/381412339.db2.gz GAIAEJOLPZMOFO-UHFFFAOYSA-N 2 0 297.402 2.541 20 0 CFADRP CC(C)[C@@H]1CC[N@H+](Cc2ncc(CN(C)C)s2)C1 ZINC000347916882 381413050 /nfs/dbraw/zinc/41/30/50/381413050.db2.gz KXDZOYCEMMGPCM-GFCCVEGCSA-N 2 0 267.442 2.683 20 0 CFADRP CCc1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cn1 ZINC000347864776 381386701 /nfs/dbraw/zinc/38/67/01/381386701.db2.gz NTRXHQZCUSINMQ-YOEHRIQHSA-N 2 0 275.440 2.949 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000296427576 381390068 /nfs/dbraw/zinc/39/00/68/381390068.db2.gz LWEICMACCBOWEK-UKRRQHHQSA-N 2 0 295.496 2.733 20 0 CFADRP CC[N@@H+]1C[C@H](C)N(CCCc2cnccc2C)C[C@H]1C ZINC000347870005 381391966 /nfs/dbraw/zinc/39/19/66/381391966.db2.gz FMWFNQMWYHLDCJ-CVEARBPZSA-N 2 0 275.440 2.737 20 0 CFADRP CC[N@H+](C)CCNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000359459554 381421377 /nfs/dbraw/zinc/42/13/77/381421377.db2.gz SUTPSTSINAFDPI-UHFFFAOYSA-N 2 0 277.343 2.746 20 0 CFADRP COCCC[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184497747 381425138 /nfs/dbraw/zinc/42/51/38/381425138.db2.gz QIUWADZVEMVFBK-HUUCEWRRSA-N 2 0 256.434 2.656 20 0 CFADRP Cc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000290430472 381426730 /nfs/dbraw/zinc/42/67/30/381426730.db2.gz LGPJCTZQAMIKSX-UKRRQHHQSA-N 2 0 264.438 2.973 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCSCc2ccccc2)CC[N@@H+]1C ZINC000359516028 381446584 /nfs/dbraw/zinc/44/65/84/381446584.db2.gz KJQNRUYRSVLOGA-GOEBONIOSA-N 2 0 278.465 2.992 20 0 CFADRP C[C@H](C[NH+](C)C)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000348288819 381480374 /nfs/dbraw/zinc/48/03/74/381480374.db2.gz KJBPJDYZEHJSQH-BFYDXBDKSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637991 381482654 /nfs/dbraw/zinc/48/26/54/381482654.db2.gz WJINSEMMBMUTSI-HPFXQQBRSA-N 2 0 293.499 2.569 20 0 CFADRP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370637677 381482819 /nfs/dbraw/zinc/48/28/19/381482819.db2.gz VPJREBLXSFPXNO-LZLYRXPVSA-N 2 0 295.515 2.959 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC000370495880 381457783 /nfs/dbraw/zinc/45/77/83/381457783.db2.gz GPXBQRFYTAXETG-QGZVFWFLSA-N 2 0 288.435 2.796 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000290522555 381463877 /nfs/dbraw/zinc/46/38/77/381463877.db2.gz ZAPKEFPOEWJJDE-AEFFLSMTSA-N 2 0 290.451 2.774 20 0 CFADRP Cc1c[nH+]ccc1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000359549553 381464199 /nfs/dbraw/zinc/46/41/99/381464199.db2.gz DJIYHUHBFFLCSJ-UHFFFAOYSA-N 2 0 273.355 2.625 20 0 CFADRP CC[C@@H](C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370662199 381484708 /nfs/dbraw/zinc/48/47/08/381484708.db2.gz JHDCDYDYYDIYJF-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(CC)C2)[C@H](C)C1 ZINC000342734317 381507568 /nfs/dbraw/zinc/50/75/68/381507568.db2.gz NNDDADAMOWEVLE-VXLLPVPCSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000290649396 381509582 /nfs/dbraw/zinc/50/95/82/381509582.db2.gz YZOPMWPLXJDCCM-KYZJMWGYSA-N 2 0 288.435 2.980 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCC(C)(C)COC)CC1 ZINC000348331935 381511763 /nfs/dbraw/zinc/51/17/63/381511763.db2.gz WUZQIFIRILPTCD-UHFFFAOYSA-N 2 0 270.461 2.903 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000342744550 381513707 /nfs/dbraw/zinc/51/37/07/381513707.db2.gz LGIRMDSXKFHSJP-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP CCOCC[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348301442 381490468 /nfs/dbraw/zinc/49/04/68/381490468.db2.gz HZDNLTDIJYDOOA-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)C/C=C/c1ccccc1 ZINC000290610963 381497081 /nfs/dbraw/zinc/49/70/81/381497081.db2.gz WNJIPIKNBBNDIQ-FIEKWJHISA-N 2 0 258.409 2.972 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000359658359 381537947 /nfs/dbraw/zinc/53/79/47/381537947.db2.gz CFQNEBPVDQUHQM-LUYZLQTOSA-N 2 0 295.496 2.669 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414057814 381560082 /nfs/dbraw/zinc/56/00/82/381560082.db2.gz GHOZIRZSXVBYLE-HNNXBMFYSA-N 2 0 294.439 2.623 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccccn2)CC1 ZINC000371199308 381565264 /nfs/dbraw/zinc/56/52/64/381565264.db2.gz SIHBYQPOYRZCIY-INIZCTEOSA-N 2 0 273.424 2.745 20 0 CFADRP COCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371209278 381568920 /nfs/dbraw/zinc/56/89/20/381568920.db2.gz SWJDHRBLTNETTD-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000414176968 381569631 /nfs/dbraw/zinc/56/96/31/381569631.db2.gz IPHPZKYOHBHPFU-KLHDSHLOSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414748460 381602683 /nfs/dbraw/zinc/60/26/83/381602683.db2.gz WOVPQWMKANMYAS-KCYZZUKISA-N 2 0 273.424 2.853 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)C1 ZINC000414715651 381602834 /nfs/dbraw/zinc/60/28/34/381602834.db2.gz RIJQKILGBWGHLH-QXSJWSMHSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]1C[C@@H](C[N@H+](CC2CC2)CC2CCC2)CC[NH2+]1 ZINC000414764122 381604581 /nfs/dbraw/zinc/60/45/81/381604581.db2.gz NYJXERDHAWGMGS-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414799651 381604745 /nfs/dbraw/zinc/60/47/45/381604745.db2.gz KGWNAWNUDYKZTD-CRAIPNDOSA-N 2 0 287.451 2.763 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CCN(C)C(C)C)cc1F ZINC000185283602 381585699 /nfs/dbraw/zinc/58/56/99/381585699.db2.gz JETXMAGTULVGST-CQSZACIVSA-N 2 0 296.430 2.943 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CCO1 ZINC000414804460 381607451 /nfs/dbraw/zinc/60/74/51/381607451.db2.gz FBRJHBRGGZSRJZ-XKQJLSEDSA-N 2 0 276.424 3.000 20 0 CFADRP CCC(CC)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371335007 381592664 /nfs/dbraw/zinc/59/26/64/381592664.db2.gz IIHUFVOUAZURNZ-UHFFFAOYSA-N 2 0 295.515 2.913 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2(OC)CCCC2)CC1 ZINC000359749105 381593798 /nfs/dbraw/zinc/59/37/98/381593798.db2.gz UIYJCYFXACAQEP-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H](C)C[NH3+])c(OC(F)F)cc1C ZINC000414880937 381609485 /nfs/dbraw/zinc/60/94/85/381609485.db2.gz RKJHMCSZLDZJDB-VIFPVBQESA-N 2 0 272.339 2.589 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000414927856 381617280 /nfs/dbraw/zinc/61/72/80/381617280.db2.gz AENRCRUGACACDZ-GXFFZTMASA-N 2 0 272.314 2.936 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355110796 381617526 /nfs/dbraw/zinc/61/75/26/381617526.db2.gz CACOJAZOMDRYJX-NJINODPHSA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000414928259 381618011 /nfs/dbraw/zinc/61/80/11/381618011.db2.gz AODCOPMTABQLPV-GOEBONIOSA-N 2 0 298.434 2.626 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414930879 381620592 /nfs/dbraw/zinc/62/05/92/381620592.db2.gz BHIOUASPQXSDNT-YQQAZPJKSA-N 2 0 260.425 2.904 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414930891 381620827 /nfs/dbraw/zinc/62/08/27/381620827.db2.gz BKLQAOQMLCYLMT-ZENOOKHLSA-N 2 0 264.388 2.734 20 0 CFADRP CCC[C@@H](C)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000371423613 381622918 /nfs/dbraw/zinc/62/29/18/381622918.db2.gz DBWVDUIDYFQLDW-OAHLLOKOSA-N 2 0 282.472 2.998 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000355122428 381627407 /nfs/dbraw/zinc/62/74/07/381627407.db2.gz JNCUQWLBVIJIBO-RDJZCZTQSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000371468395 381635108 /nfs/dbraw/zinc/63/51/08/381635108.db2.gz AQKWXDBKKCWCFS-NUEKZKHPSA-N 2 0 294.464 2.740 20 0 CFADRP CCC1(C)CCC([NH2+]C[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000414944426 381636967 /nfs/dbraw/zinc/63/69/67/381636967.db2.gz OATGGRMLXYYDNI-UYSNPLJNSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](C[NH2+]C1(C)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000414938244 381629971 /nfs/dbraw/zinc/62/99/71/381629971.db2.gz IDRGNPTUVUWAGI-LBPRGKRZSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CC3)cc2)CC[NH2+]1 ZINC000414939917 381631572 /nfs/dbraw/zinc/63/15/72/381631572.db2.gz BKPMGKKECSPYAH-BBRMVZONSA-N 2 0 274.408 2.706 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[NH2+]1 ZINC000414940958 381631655 /nfs/dbraw/zinc/63/16/55/381631655.db2.gz CCSBXKCRRKSNQN-YOEHRIQHSA-N 2 0 281.403 2.979 20 0 CFADRP Cc1cccc(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000342950731 381633753 /nfs/dbraw/zinc/63/37/53/381633753.db2.gz IUOPMOSEQRFDTP-UHFFFAOYSA-N 2 0 290.451 2.846 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1 ZINC000414957286 381649820 /nfs/dbraw/zinc/64/98/20/381649820.db2.gz VZZYKOWPNGAIPA-ZOWXZIJZSA-N 2 0 250.361 2.659 20 0 CFADRP CN(C[C@@H]1CCC[N@@H+]1CCCn1ccnc1)c1ccccc1 ZINC000371478262 381639086 /nfs/dbraw/zinc/63/90/86/381639086.db2.gz VGABFVNDHBSIOX-SFHVURJKSA-N 2 0 298.434 2.874 20 0 CFADRP NC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2ccccc2c1 ZINC000414947871 381639314 /nfs/dbraw/zinc/63/93/14/381639314.db2.gz XHZALKPWGVEKLO-DNOPENIRSA-N 2 0 297.446 2.947 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[NH2+]1 ZINC000414949484 381640853 /nfs/dbraw/zinc/64/08/53/381640853.db2.gz NNADFJNPCKJBNJ-KMUNFCNLSA-N 2 0 264.800 2.537 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCC2CCCC2)CC[NH2+]CC1 ZINC000414953152 381645552 /nfs/dbraw/zinc/64/55/52/381645552.db2.gz APDARCCQQZONIZ-HNNXBMFYSA-N 2 0 282.472 2.951 20 0 CFADRP c1ccc(OCCCC[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414960518 381656328 /nfs/dbraw/zinc/65/63/28/381656328.db2.gz HAINPZNVKXHGME-INIZCTEOSA-N 2 0 276.424 2.967 20 0 CFADRP c1cn(-c2csc(C[NH2+]CCC[C@H]3CCC[NH2+]3)c2)cn1 ZINC000414978168 381673838 /nfs/dbraw/zinc/67/38/38/381673838.db2.gz SHPZVBLONCHKFG-ZDUSSCGKSA-N 2 0 290.436 2.556 20 0 CFADRP COC[C@@]1(C[NH2+]C[C@@H](c2ccccc2)C(C)C)CCC[NH2+]1 ZINC000414964366 381660262 /nfs/dbraw/zinc/66/02/62/381660262.db2.gz XZIUTXSUGXIRJG-MSOLQXFVSA-N 2 0 290.451 2.784 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)CC(C)C ZINC000359889353 381660417 /nfs/dbraw/zinc/66/04/17/381660417.db2.gz YLEOOSCAQQFHSW-IXDOHACOSA-N 3 0 283.504 2.673 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414965088 381662004 /nfs/dbraw/zinc/66/20/04/381662004.db2.gz MYLVESIHAUTQOK-ULQDDVLXSA-N 2 0 258.409 2.912 20 0 CFADRP Fc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1F ZINC000414972159 381667730 /nfs/dbraw/zinc/66/77/30/381667730.db2.gz MESJECGAPXUJSF-LBPRGKRZSA-N 2 0 254.324 2.587 20 0 CFADRP c1ccc([C@@H]2C[C@H]([NH2+]CCC[C@@H]3CCC[NH2+]3)CCN2)cc1 ZINC000414971052 381667848 /nfs/dbraw/zinc/66/78/48/381667848.db2.gz VSVZNVAWYSEIIQ-KSZLIROESA-N 2 0 287.451 2.602 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(Cl)cc2C)CC[NH2+]CC1 ZINC000414973630 381669364 /nfs/dbraw/zinc/66/93/64/381669364.db2.gz LGFNEPUIZMOADO-UHFFFAOYSA-N 2 0 296.842 2.754 20 0 CFADRP COCC1(C[NH2+]Cc2ccc(C3CC3)cc2)CC[NH2+]CC1 ZINC000414977983 381673411 /nfs/dbraw/zinc/67/34/11/381673411.db2.gz RTWXIYLNTFALSO-UHFFFAOYSA-N 2 0 288.435 2.670 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000414960142 381654532 /nfs/dbraw/zinc/65/45/32/381654532.db2.gz AEVBMQASBKISRU-INIZCTEOSA-N 2 0 276.424 2.823 20 0 CFADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415015895 381709884 /nfs/dbraw/zinc/70/98/84/381709884.db2.gz BMWWDMBQJGVOPR-GFCCVEGCSA-N 2 0 290.386 2.537 20 0 CFADRP C[C@H](CC1CCCC1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015781 381709958 /nfs/dbraw/zinc/70/99/58/381709958.db2.gz ZJXBSOHKPOLWDP-UHOFOFEASA-N 2 0 250.430 2.933 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015542 381710168 /nfs/dbraw/zinc/71/01/68/381710168.db2.gz YXAWBFGMTJTLAM-ZWKOTPCHSA-N 2 0 288.435 2.735 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000415017423 381711281 /nfs/dbraw/zinc/71/12/81/381711281.db2.gz FISWGBRKFOMTJW-LLVKDONJSA-N 2 0 298.814 2.718 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1O ZINC000415018244 381711659 /nfs/dbraw/zinc/71/16/59/381711659.db2.gz UDRSTPNNERXGMN-KGLIPLIRSA-N 2 0 294.439 2.829 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415017660 381711677 /nfs/dbraw/zinc/71/16/77/381711677.db2.gz QIVYMMQZBVCLHN-OLZOCXBDSA-N 2 0 295.858 2.630 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415019077 381713009 /nfs/dbraw/zinc/71/30/09/381713009.db2.gz RJOWOCMUQUEFPO-HZSPNIEDSA-N 2 0 291.439 2.852 20 0 CFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415018546 381713229 /nfs/dbraw/zinc/71/32/29/381713229.db2.gz HCUAMVUEQYEOCX-DZGCQCFKSA-N 2 0 294.439 2.742 20 0 CFADRP C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185715951 381714374 /nfs/dbraw/zinc/71/43/74/381714374.db2.gz GJEAYAZAFLJLGZ-JKSUJKDBSA-N 2 0 290.455 2.516 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1F ZINC000415020047 381715231 /nfs/dbraw/zinc/71/52/31/381715231.db2.gz FZXUCUQCJFBWRW-HDJSIYSDSA-N 2 0 264.388 2.989 20 0 CFADRP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724334 381715899 /nfs/dbraw/zinc/71/58/99/381715899.db2.gz WNDCLYWGEDFXMZ-IAGOWNOFSA-N 2 0 293.499 2.715 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000414981809 381677833 /nfs/dbraw/zinc/67/78/33/381677833.db2.gz XLNSTMVZVDWINF-HUUCEWRRSA-N 2 0 268.445 2.561 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414982533 381677926 /nfs/dbraw/zinc/67/79/26/381677926.db2.gz YHHHEPRZOMSJOP-QGZVFWFLSA-N 2 0 290.451 2.614 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000414986350 381678809 /nfs/dbraw/zinc/67/88/09/381678809.db2.gz CASYEADFMFCAHW-DOMZBBRYSA-N 2 0 285.391 2.548 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000414987390 381681564 /nfs/dbraw/zinc/68/15/64/381681564.db2.gz DQYJZFJRRZMCGF-YPMHNXCESA-N 2 0 282.815 2.956 20 0 CFADRP CC[C@H]([NH3+])C[NH2+]CCCc1c(F)cccc1Cl ZINC000414989432 381683090 /nfs/dbraw/zinc/68/30/90/381683090.db2.gz NLLGJEBBZZNDAM-JTQLQIEISA-N 2 0 258.768 2.739 20 0 CFADRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1C ZINC000414996164 381689355 /nfs/dbraw/zinc/68/93/55/381689355.db2.gz GFJDLHGVIXZQOQ-HIFRSBDPSA-N 2 0 262.397 2.611 20 0 CFADRP CC(C)c1ncc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000414998987 381691768 /nfs/dbraw/zinc/69/17/68/381691768.db2.gz RJDPRWHJHLFXGR-RYUDHWBXSA-N 2 0 267.442 2.874 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415001684 381692540 /nfs/dbraw/zinc/69/25/40/381692540.db2.gz VLDWOTHUUXXEOZ-GJZGRUSLSA-N 2 0 292.471 2.862 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415001685 381692550 /nfs/dbraw/zinc/69/25/50/381692550.db2.gz VLDWOTHUUXXEOZ-HUUCEWRRSA-N 2 0 292.471 2.862 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCc3cccc(F)c3)C[C@@H]21 ZINC000348752058 381694453 /nfs/dbraw/zinc/69/44/53/381694453.db2.gz SZJXCGAJXUUGOD-HYVNUMGLSA-N 2 0 276.399 2.818 20 0 CFADRP [NH3+]CCCOC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000348751415 381694696 /nfs/dbraw/zinc/69/46/96/381694696.db2.gz RFQIMRFJHCLOQJ-UHFFFAOYSA-N 2 0 294.414 2.588 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000415024121 381716943 /nfs/dbraw/zinc/71/69/43/381716943.db2.gz OJFRPYPAFFIMPE-SNVBAGLBSA-N 2 0 255.431 2.658 20 0 CFADRP C[N@H+](CCCc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000348754922 381696490 /nfs/dbraw/zinc/69/64/90/381696490.db2.gz DGUXMIPGJJUHFU-INIZCTEOSA-N 2 0 264.388 2.832 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2OC(F)F)C1 ZINC000415004214 381696542 /nfs/dbraw/zinc/69/65/42/381696542.db2.gz XXRAXZWKZKTFGS-DGCLKSJQSA-N 2 0 284.350 2.895 20 0 CFADRP CC(C)c1cnc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000415003643 381696806 /nfs/dbraw/zinc/69/68/06/381696806.db2.gz NKSNVJOXLPGLIA-VXGBXAGGSA-N 2 0 267.442 2.874 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415007836 381700368 /nfs/dbraw/zinc/70/03/68/381700368.db2.gz RRTYNEHKYNSESB-SQWLQELKSA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000415009538 381702162 /nfs/dbraw/zinc/70/21/62/381702162.db2.gz UFPQKUXAXTWWNN-STQMWFEESA-N 2 0 281.469 2.949 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000415009476 381703242 /nfs/dbraw/zinc/70/32/42/381703242.db2.gz UDKXLVAHXNWJAH-IUCAKERBSA-N 2 0 293.358 2.769 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000415012512 381706005 /nfs/dbraw/zinc/70/60/05/381706005.db2.gz JDIXGMXCAQNAJY-NSHDSACASA-N 2 0 276.384 2.585 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000415012840 381706100 /nfs/dbraw/zinc/70/61/00/381706100.db2.gz XSDUMYIWJDBZLA-UAGQMJEPSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000415012842 381706810 /nfs/dbraw/zinc/70/68/10/381706810.db2.gz XSDUMYIWJDBZLA-XIRDDKMYSA-N 2 0 260.425 2.972 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000415014199 381707761 /nfs/dbraw/zinc/70/77/61/381707761.db2.gz LNCBTYHDTJUCFZ-CQSZACIVSA-N 2 0 297.487 2.521 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000415040206 381728073 /nfs/dbraw/zinc/72/80/73/381728073.db2.gz OQAMKSFOFBSWFK-HOTGVXAUSA-N 2 0 276.424 2.953 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000415041042 381728094 /nfs/dbraw/zinc/72/80/94/381728094.db2.gz PMJLAHFGRFGNNW-JQWIXIFHSA-N 2 0 283.213 2.666 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000415039361 381728274 /nfs/dbraw/zinc/72/82/74/381728274.db2.gz NYBZEVHTVBJYPO-ZIAGYGMSSA-N 2 0 291.414 2.643 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000415040208 381728947 /nfs/dbraw/zinc/72/89/47/381728947.db2.gz OQAMKSFOFBSWFK-JKSUJKDBSA-N 2 0 276.424 2.953 20 0 CFADRP CCC(C)(C)C1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415039981 381729283 /nfs/dbraw/zinc/72/92/83/381729283.db2.gz NWOIBECDTYKBTM-GPANFISMSA-N 2 0 282.472 2.950 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000415043950 381730971 /nfs/dbraw/zinc/73/09/71/381730971.db2.gz SISPBIJCXPBPBS-ZYHUDNBSSA-N 2 0 268.788 2.566 20 0 CFADRP CC(C)(C)c1nc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000415045933 381732535 /nfs/dbraw/zinc/73/25/35/381732535.db2.gz UQZNGIJHVIWRFA-WDEREUQCSA-N 2 0 267.442 2.658 20 0 CFADRP Cc1ccc2cc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)ccc2n1 ZINC000415051367 381736344 /nfs/dbraw/zinc/73/63/44/381736344.db2.gz ZHLXCRLQEYUFQZ-CJNGLKHVSA-N 2 0 269.392 2.760 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000415051394 381736750 /nfs/dbraw/zinc/73/67/50/381736750.db2.gz ZIXJFROCWMBLLF-CZUORRHYSA-N 2 0 269.392 2.760 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc2cccnc12 ZINC000415052029 381738023 /nfs/dbraw/zinc/73/80/23/381738023.db2.gz GSBNOLQEMNRPGN-RDTXWAMCSA-N 2 0 283.419 2.960 20 0 CFADRP CCCC[C@H](CC)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053218 381738303 /nfs/dbraw/zinc/73/83/03/381738303.db2.gz MBFUVJCOWYDIDX-GTPINHCMSA-N 2 0 281.488 2.761 20 0 CFADRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+](C(C)C)CC1 ZINC000415073490 381758933 /nfs/dbraw/zinc/75/89/33/381758933.db2.gz ZHVYPLSLVIRVDP-SFHVURJKSA-N 2 0 289.467 2.711 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415068877 381754480 /nfs/dbraw/zinc/75/44/80/381754480.db2.gz NTISCLQCYBCDNN-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(Cl)c1OC ZINC000415026147 381718408 /nfs/dbraw/zinc/71/84/08/381718408.db2.gz SPQCVNNOVQTAJV-SNVBAGLBSA-N 2 0 286.803 2.574 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000415026475 381718480 /nfs/dbraw/zinc/71/84/80/381718480.db2.gz TVJOATNROHCAPW-HAQNSBGRSA-N 2 0 279.453 2.875 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000415025989 381718527 /nfs/dbraw/zinc/71/85/27/381718527.db2.gz SJAKWWMNSDKYRP-INMHGKMJSA-N 2 0 275.440 2.539 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415028426 381721217 /nfs/dbraw/zinc/72/12/17/381721217.db2.gz YLBFJNSRORAKAU-HDJSIYSDSA-N 2 0 292.423 2.559 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000415028983 381721316 /nfs/dbraw/zinc/72/13/16/381721316.db2.gz ZQTZTVKNYNSADA-NSHDSACASA-N 2 0 292.814 2.947 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1Cl ZINC000415030378 381721904 /nfs/dbraw/zinc/72/19/04/381721904.db2.gz FUJMBCGMMFPZKS-DGCLKSJQSA-N 2 0 252.789 2.865 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(C(F)(F)F)cc1 ZINC000415030819 381721995 /nfs/dbraw/zinc/72/19/95/381721995.db2.gz FJPRQIQSNXXINN-OLRMPSLUSA-N 2 0 284.325 2.616 20 0 CFADRP Cc1cnc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000185763553 381726095 /nfs/dbraw/zinc/72/60/95/381726095.db2.gz LFCYLJDUQOASHK-UONOGXRCSA-N 2 0 277.412 2.726 20 0 CFADRP CO[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC[C@H]1C ZINC000343459559 381726745 /nfs/dbraw/zinc/72/67/45/381726745.db2.gz DQCFDOCHJZBALW-IUODEOHRSA-N 2 0 291.420 2.791 20 0 CFADRP CCCC[C@H](CC)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000348974462 381781514 /nfs/dbraw/zinc/78/15/14/381781514.db2.gz LPRYNKQAPXGZGQ-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415103273 381782870 /nfs/dbraw/zinc/78/28/70/381782870.db2.gz DAGYBOUTUXXVHX-HIFRSBDPSA-N 2 0 292.423 2.511 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415109349 381787009 /nfs/dbraw/zinc/78/70/09/381787009.db2.gz LQXBPOXPBWTAHJ-HLLBOEOZSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000415118124 381790693 /nfs/dbraw/zinc/79/06/93/381790693.db2.gz GWJLBGNVEJHSIN-JZXOWHBKSA-N 2 0 288.435 2.918 20 0 CFADRP CCC[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000415117520 381791091 /nfs/dbraw/zinc/79/10/91/381791091.db2.gz ZMLQGLJZZZQBDX-IAGOWNOFSA-N 2 0 276.424 2.620 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360843078 381793575 /nfs/dbraw/zinc/79/35/75/381793575.db2.gz ZHWBRFFGEZITJR-KRWDZBQOSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc2cccnc12 ZINC000415124994 381794907 /nfs/dbraw/zinc/79/49/07/381794907.db2.gz KUJYPSLOZKKRGJ-SUMWQHHRSA-N 2 0 283.419 2.960 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000355684244 381795224 /nfs/dbraw/zinc/79/52/24/381795224.db2.gz PBBODHSFRLEZKZ-HUUCEWRRSA-N 2 0 268.445 2.606 20 0 CFADRP Cc1cccc(OC[C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415075923 381760922 /nfs/dbraw/zinc/76/09/22/381760922.db2.gz FZIBZJMHLSYKDZ-HRCADAONSA-N 2 0 276.424 2.740 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000415074823 381761687 /nfs/dbraw/zinc/76/16/87/381761687.db2.gz AWHAGJTTZHCHKA-GDBMZVCRSA-N 2 0 276.424 2.952 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000415076351 381762905 /nfs/dbraw/zinc/76/29/05/381762905.db2.gz GGZNDPFDMVQMSC-IIAWOOMASA-N 2 0 258.409 2.694 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(Br)cc2)CC[NH2+]C1 ZINC000415077098 381762948 /nfs/dbraw/zinc/76/29/48/381762948.db2.gz DUIAIQLLVRNQEI-CYBMUJFWSA-N 2 0 283.213 2.538 20 0 CFADRP CC(C)(C)[NH2+]CC[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000415076950 381763024 /nfs/dbraw/zinc/76/30/24/381763024.db2.gz DBDCVBSKQSIBNA-KBPBESRZSA-N 2 0 270.461 2.805 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415076643 381763812 /nfs/dbraw/zinc/76/38/12/381763812.db2.gz SBNOBZDDPUHHNS-XJKSGUPXSA-N 2 0 264.388 2.879 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415081463 381767202 /nfs/dbraw/zinc/76/72/02/381767202.db2.gz CASXIYOASPOPFW-ZENOOKHLSA-N 2 0 274.408 2.803 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)[C@@H]1CCCO1 ZINC000415081740 381767245 /nfs/dbraw/zinc/76/72/45/381767245.db2.gz NHTGRFMJUVMEKD-WCVJEAGWSA-N 2 0 268.445 2.844 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@H]1CCCO1 ZINC000415081735 381767929 /nfs/dbraw/zinc/76/79/29/381767929.db2.gz NHTGRFMJUVMEKD-FXUDXRNXSA-N 2 0 268.445 2.844 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000415081717 381768258 /nfs/dbraw/zinc/76/82/58/381768258.db2.gz KVLUILPVBHNJHH-AQFXKWCLSA-N 2 0 287.451 2.620 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415084833 381769653 /nfs/dbraw/zinc/76/96/53/381769653.db2.gz RQGKBOUOIKNBIH-DNOWBOINSA-N 2 0 280.387 2.700 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1cccc(Cl)c1 ZINC000415084610 381769838 /nfs/dbraw/zinc/76/98/38/381769838.db2.gz GYBCKGQUCDKMRW-CQSZACIVSA-N 2 0 254.805 2.846 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415084124 381769919 /nfs/dbraw/zinc/76/99/19/381769919.db2.gz RAODKFDMULVMDE-UPJWGTAASA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H]1CCCC[C@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349037019 381799513 /nfs/dbraw/zinc/79/95/13/381799513.db2.gz QOAJGUVUPORHAZ-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP c1ccc2cc(OCC[NH2+]C[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000415086065 381771637 /nfs/dbraw/zinc/77/16/37/381771637.db2.gz REUVAVZQYQGAEW-HNNXBMFYSA-N 2 0 284.403 2.808 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000415085406 381771793 /nfs/dbraw/zinc/77/17/93/381771793.db2.gz QGFXANQQSIKEHP-HOTGVXAUSA-N 2 0 263.429 2.784 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CCOc2cccc(Cl)c2)CC[NH2+]1 ZINC000415087715 381773622 /nfs/dbraw/zinc/77/36/22/381773622.db2.gz UBZPTUVKAQYBTL-QWHCGFSZSA-N 2 0 282.815 2.697 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000415089190 381775613 /nfs/dbraw/zinc/77/56/13/381775613.db2.gz YLUSIBMGGDJCJT-INIZCTEOSA-N 2 0 276.424 2.804 20 0 CFADRP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000415091562 381777037 /nfs/dbraw/zinc/77/70/37/381777037.db2.gz QSWNYIVLEUDWLF-CQSZACIVSA-N 2 0 258.365 2.707 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1F ZINC000415091856 381777869 /nfs/dbraw/zinc/77/78/69/381777869.db2.gz RLFMAMIEGYLKOJ-GXTWGEPZSA-N 2 0 280.387 2.845 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1ccc(F)cc1Cl ZINC000415094716 381779576 /nfs/dbraw/zinc/77/95/76/381779576.db2.gz XUTAQVFQSMCQMK-CYBMUJFWSA-N 2 0 272.795 2.985 20 0 CFADRP [NH3+]C1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000415092980 381779708 /nfs/dbraw/zinc/77/97/08/381779708.db2.gz UOQBJCLFZCGOTA-UHFFFAOYSA-N 2 0 270.779 2.881 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1F ZINC000415094677 381779772 /nfs/dbraw/zinc/77/97/72/381779772.db2.gz XQLCFZNKEHKKLY-OBJOEFQTSA-N 2 0 280.387 2.873 20 0 CFADRP COc1ccsc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000186159185 381837437 /nfs/dbraw/zinc/83/74/37/381837437.db2.gz SFDCMLGEVBBFOA-VXGBXAGGSA-N 2 0 268.426 2.749 20 0 CFADRP COC1(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000349153867 381838702 /nfs/dbraw/zinc/83/87/02/381838702.db2.gz SXNUZXGQQDXFPO-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415138190 381802929 /nfs/dbraw/zinc/80/29/29/381802929.db2.gz YNPUDIQFPWSUPM-DZGCQCFKSA-N 2 0 292.423 2.511 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415138195 381802976 /nfs/dbraw/zinc/80/29/76/381802976.db2.gz YNPUDIQFPWSUPM-ZFWWWQNUSA-N 2 0 292.423 2.511 20 0 CFADRP CCc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)s1 ZINC000349191901 381843866 /nfs/dbraw/zinc/84/38/66/381843866.db2.gz OHOZNDCEKQMXPB-CQSZACIVSA-N 2 0 293.480 2.869 20 0 CFADRP COC1(C[NH+]2CCC([NH2+]C(C)C)CC2)CCCCC1 ZINC000361552631 381844155 /nfs/dbraw/zinc/84/41/55/381844155.db2.gz LOUYFHOSAMMLDC-UHFFFAOYSA-N 2 0 268.445 2.798 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356417696 381850805 /nfs/dbraw/zinc/85/08/05/381850805.db2.gz GEHQRTKXXJTRED-UHFFFAOYSA-N 2 0 282.790 2.873 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)(C)C ZINC000343653615 381870185 /nfs/dbraw/zinc/87/01/85/381870185.db2.gz DJHDWOBZPUHINJ-PMPSAXMXSA-N 2 0 282.472 2.779 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(COC)cc1 ZINC000349347776 381901248 /nfs/dbraw/zinc/90/12/48/381901248.db2.gz MEMQZFXUOAWDCR-UHFFFAOYSA-N 2 0 278.440 2.997 20 0 CFADRP CC(C)(C)[C@H](CCO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000186401006 381901610 /nfs/dbraw/zinc/90/16/10/381901610.db2.gz ZPXMSAGDZJMJFF-AWEZNQCLSA-N 2 0 270.461 2.636 20 0 CFADRP CC[N@@H+](CCCc1ccc2c(c1)CCO2)CCC[NH+](C)C ZINC000349366320 381910398 /nfs/dbraw/zinc/91/03/98/381910398.db2.gz JITHHGRJHZUQCB-UHFFFAOYSA-N 2 0 290.451 2.828 20 0 CFADRP COC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000186504825 381930703 /nfs/dbraw/zinc/93/07/03/381930703.db2.gz KMFAODSPRSOBIF-ILXRZTDVSA-N 2 0 268.445 2.654 20 0 CFADRP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CC[C@H](C)C1 ZINC000362151502 381931158 /nfs/dbraw/zinc/93/11/58/381931158.db2.gz TUAXLECDOIREAU-JYJNAYRXSA-N 2 0 268.445 2.608 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000356992612 381949163 /nfs/dbraw/zinc/94/91/63/381949163.db2.gz NDZWFYWFFHHPEX-FGTMMUONSA-N 2 0 294.483 2.999 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCO[C@H](CC)C2)C1 ZINC000356998158 381951100 /nfs/dbraw/zinc/95/11/00/381951100.db2.gz SQGXLPAPKHNTSG-IXDOHACOSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)C1CCCCC1 ZINC000186572939 381951955 /nfs/dbraw/zinc/95/19/55/381951955.db2.gz ZIWSDDQHZUCCQD-HZPDHXFCSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293072173 381979240 /nfs/dbraw/zinc/97/92/40/381979240.db2.gz VODLMBFKCQDERB-KRWDZBQOSA-N 2 0 258.409 2.913 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCc2c1cccc2C ZINC000349721154 381985616 /nfs/dbraw/zinc/98/56/16/381985616.db2.gz MHGFBWJWQQHORP-SFHVURJKSA-N 2 0 290.451 2.930 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357058610 381992844 /nfs/dbraw/zinc/99/28/44/381992844.db2.gz VVZPBPSGRUQDBU-INIZCTEOSA-N 2 0 290.455 2.594 20 0 CFADRP CCc1cnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357060322 381992991 /nfs/dbraw/zinc/99/29/91/381992991.db2.gz YJZYGQKUJNLCFY-ZDUSSCGKSA-N 2 0 279.453 2.527 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCOc3ccccc3)C2)C1 ZINC000293115202 381994333 /nfs/dbraw/zinc/99/43/33/381994333.db2.gz YSEKUUNNHWVKPY-SFHVURJKSA-N 2 0 288.435 2.873 20 0 CFADRP CC[NH+]1CCC(N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343968972 382041239 /nfs/dbraw/zinc/04/12/39/382041239.db2.gz BLJCOFQBXSROKH-INIZCTEOSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1)C[NH+](C)C ZINC000293262542 382052274 /nfs/dbraw/zinc/05/22/74/382052274.db2.gz CBWMXDNQWNCHNV-HUUCEWRRSA-N 2 0 286.423 2.721 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH+](C)C)CC3)CC2)C1 ZINC000417351765 382052407 /nfs/dbraw/zinc/05/24/07/382052407.db2.gz DMWKXLRFQPOZDG-NVXWUHKLSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)CC[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343933097 382025963 /nfs/dbraw/zinc/02/59/63/382025963.db2.gz NLLOBYKJCZYUJX-HNNXBMFYSA-N 2 0 293.455 2.936 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000375844692 382106431 /nfs/dbraw/zinc/10/64/31/382106431.db2.gz WQARKUDEZZGEHO-GOEBONIOSA-N 2 0 280.456 2.534 20 0 CFADRP CC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357240456 382072436 /nfs/dbraw/zinc/07/24/36/382072436.db2.gz UOWAWJLAWSQMKU-CGTJXYLNSA-N 2 0 290.451 2.648 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000351971989 382099729 /nfs/dbraw/zinc/09/97/29/382099729.db2.gz YKTNDSWIWOGYJO-UHFFFAOYSA-N 2 0 290.451 2.733 20 0 CFADRP CC(C)SCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000376836070 382181842 /nfs/dbraw/zinc/18/18/42/382181842.db2.gz XQPPFEKZRIIOEO-MGPQQGTHSA-N 2 0 256.459 2.590 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C[C@@H]1OC ZINC000344109932 382133401 /nfs/dbraw/zinc/13/34/01/382133401.db2.gz YKDNLCZGSDXPBK-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376521258 382140663 /nfs/dbraw/zinc/14/06/63/382140663.db2.gz ZGJDIPMNYYXYMT-OAHLLOKOSA-N 2 0 298.471 2.772 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000352040134 382144454 /nfs/dbraw/zinc/14/44/54/382144454.db2.gz MJYIBTIQRMQKTI-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccccn1 ZINC000301324092 382147486 /nfs/dbraw/zinc/14/74/86/382147486.db2.gz XBNXWCZQYXNJCJ-GDBMZVCRSA-N 2 0 282.391 2.799 20 0 CFADRP C[NH+]1CC[C@H](NCC[C@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000352099226 382169942 /nfs/dbraw/zinc/16/99/42/382169942.db2.gz FSDMXIWJWAMPHR-FGTMMUONSA-N 2 0 287.451 2.506 20 0 CFADRP C[N@H+](CC1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362719500 382213290 /nfs/dbraw/zinc/21/32/90/382213290.db2.gz KZNBESPTAFEQFF-SFHVURJKSA-N 2 0 293.499 2.667 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000187573012 382213827 /nfs/dbraw/zinc/21/38/27/382213827.db2.gz AFBZQOJXOKQBTQ-CYBMUJFWSA-N 2 0 262.397 2.775 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2ccccn2)CC1 ZINC000362725063 382214301 /nfs/dbraw/zinc/21/43/01/382214301.db2.gz MFAKVNKIRCLNGS-SFHVURJKSA-N 2 0 287.451 2.820 20 0 CFADRP COc1ncc([C@H](C)NC[C@H](C)C[NH+](C)C)cc1Cl ZINC000293603768 382192901 /nfs/dbraw/zinc/19/29/01/382192901.db2.gz IXZUHIGHDNQHFO-QWRGUYRKSA-N 2 0 285.819 2.592 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OCC1CCC1 ZINC000419232942 382253639 /nfs/dbraw/zinc/25/36/39/382253639.db2.gz GLTUFLNFRCFRPD-FUHWJXTLSA-N 2 0 292.467 2.752 20 0 CFADRP C[C@H]([NH2+]CCCNc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000680353778 542311329 /nfs/dbraw/zinc/31/13/29/542311329.db2.gz NPKNWRTZYLJTQC-AWEZNQCLSA-N 2 0 293.430 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000345219525 382291216 /nfs/dbraw/zinc/29/12/16/382291216.db2.gz PZIZOPCRIAHSNK-NXOAAHMSSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C[NH+](C)C ZINC000293765706 382269190 /nfs/dbraw/zinc/26/91/90/382269190.db2.gz SKHBTHJLKBAZQS-HUUCEWRRSA-N 2 0 286.423 2.721 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000293767990 382270323 /nfs/dbraw/zinc/27/03/23/382270323.db2.gz SMWWVLYXQYFAHO-ZFWWWQNUSA-N 2 0 292.423 2.696 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000420290087 382344072 /nfs/dbraw/zinc/34/40/72/382344072.db2.gz LHGDPFCWCMGAPG-UHFFFAOYSA-N 2 0 261.413 2.520 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345718623 382310232 /nfs/dbraw/zinc/31/02/32/382310232.db2.gz SVVHCEFVHNPBNV-YQQAZPJKSA-N 2 0 297.487 2.521 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420294198 382345713 /nfs/dbraw/zinc/34/57/13/382345713.db2.gz AVZWUGMJWIKBKV-VYDXJSESSA-N 2 0 258.409 2.864 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357805363 382331639 /nfs/dbraw/zinc/33/16/39/382331639.db2.gz XNOWIALQSGZJGM-DLBZAZTESA-N 2 0 298.434 2.767 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346208682 382335993 /nfs/dbraw/zinc/33/59/93/382335993.db2.gz MLFDQKYHNOIQMH-IJLUTSLNSA-N 2 0 264.335 2.934 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420253440 382338410 /nfs/dbraw/zinc/33/84/10/382338410.db2.gz DPBQZKWMAMAAIY-HUUCEWRRSA-N 2 0 281.403 2.843 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000357725041 382295816 /nfs/dbraw/zinc/29/58/16/382295816.db2.gz BNPUWKOHIZMSQA-FRRDWIJNSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420292293 382343767 /nfs/dbraw/zinc/34/37/67/382343767.db2.gz PCWFZZOZUZCSCT-OCCSQVGLSA-N 2 0 299.418 2.718 20 0 CFADRP CCSCC[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420298803 382349137 /nfs/dbraw/zinc/34/91/37/382349137.db2.gz HWAIBFCCLMQLHI-KBPBESRZSA-N 2 0 258.475 2.840 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000420298537 382349797 /nfs/dbraw/zinc/34/97/97/382349797.db2.gz HPEDRHFQDIKNTG-IJEWVQPXSA-N 2 0 276.424 2.858 20 0 CFADRP CCCCO[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000420298532 382350010 /nfs/dbraw/zinc/35/00/10/382350010.db2.gz HOLILKLUSVRJHE-HRCADAONSA-N 2 0 282.472 2.902 20 0 CFADRP COCCC[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357849831 382349986 /nfs/dbraw/zinc/34/99/86/382349986.db2.gz MLJXHILHHUDIIA-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000420298530 382350407 /nfs/dbraw/zinc/35/04/07/382350407.db2.gz HOLILKLUSVRJHE-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000420302001 382351450 /nfs/dbraw/zinc/35/14/50/382351450.db2.gz LUGCZKNXMHKLHZ-DZGCQCFKSA-N 2 0 288.391 2.552 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000420300401 382352053 /nfs/dbraw/zinc/35/20/53/382352053.db2.gz KHHDLIMJZOTDAG-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP Fc1ccc(C[C@@H]2CC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420300750 382352301 /nfs/dbraw/zinc/35/23/01/382352301.db2.gz KLCPOBVBRNVLAM-HOTGVXAUSA-N 2 0 276.399 2.690 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420387928 382396431 /nfs/dbraw/zinc/39/64/31/382396431.db2.gz WLUUJAUULTZSJB-KRWDZBQOSA-N 2 0 274.408 2.531 20 0 CFADRP C[C@H](c1c(F)cccc1F)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420303433 382353542 /nfs/dbraw/zinc/35/35/42/382353542.db2.gz KIEHBNAQGFLWSX-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP [NH3+]CCC[N@H+](CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000420304235 382354158 /nfs/dbraw/zinc/35/41/58/382354158.db2.gz DPTSHAIDCLFLJO-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP CN(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420389297 382396524 /nfs/dbraw/zinc/39/65/24/382396524.db2.gz HOOORZORBLDTKL-SJLPKXTDSA-N 2 0 287.451 2.587 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420305919 382356131 /nfs/dbraw/zinc/35/61/31/382356131.db2.gz KSDARQBKQWMOLX-VXGBXAGGSA-N 2 0 250.411 2.578 20 0 CFADRP Cc1sccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000293965148 382357506 /nfs/dbraw/zinc/35/75/06/382357506.db2.gz CSUGABOSPDAAPZ-GFCCVEGCSA-N 2 0 250.411 2.630 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420309604 382358559 /nfs/dbraw/zinc/35/85/59/382358559.db2.gz OUTSPVMOBPGHIN-UBHSHLNASA-N 2 0 262.422 2.578 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000420307490 382358863 /nfs/dbraw/zinc/35/88/63/382358863.db2.gz BSUYYWNZWVFLDQ-QAPCUYQASA-N 2 0 281.403 2.760 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC000420311392 382360974 /nfs/dbraw/zinc/36/09/74/382360974.db2.gz GZSASTGFKXGKAA-MNOVXSKESA-N 2 0 286.778 2.527 20 0 CFADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1c(F)cccc1F ZINC000420312455 382361000 /nfs/dbraw/zinc/36/10/00/382361000.db2.gz XAVBNIFFDBGYQF-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP c1ccc(C[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420315959 382361588 /nfs/dbraw/zinc/36/15/88/382361588.db2.gz MAHYZHXKFDVAFR-SJORKVTESA-N 2 0 258.409 2.551 20 0 CFADRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)no1 ZINC000420314206 382361608 /nfs/dbraw/zinc/36/16/08/382361608.db2.gz QIBRNGNYSPETCJ-LBPRGKRZSA-N 2 0 265.401 2.533 20 0 CFADRP COc1ccccc1CCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420314278 382362783 /nfs/dbraw/zinc/36/27/83/382362783.db2.gz QMXFXRFNRLNQAA-MRXNPFEDSA-N 2 0 276.424 2.702 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000365189542 382363055 /nfs/dbraw/zinc/36/30/55/382363055.db2.gz CUAJDQMGNWRCOL-INIZCTEOSA-N 2 0 270.461 2.857 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CS1 ZINC000365194848 382363188 /nfs/dbraw/zinc/36/31/88/382363188.db2.gz CXJQLPWIXZTEFD-BARDWOONSA-N 2 0 268.470 2.733 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420316129 382364069 /nfs/dbraw/zinc/36/40/69/382364069.db2.gz XVQWOBPDOHIQAW-QWRGUYRKSA-N 2 0 286.778 2.527 20 0 CFADRP Fc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420316649 382364705 /nfs/dbraw/zinc/36/47/05/382364705.db2.gz MWQBTIJDZMMRJZ-BBRMVZONSA-N 2 0 262.372 2.962 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C(C)C)C2CC2)cc1 ZINC000420320001 382365790 /nfs/dbraw/zinc/36/57/90/382365790.db2.gz PWYVZKVUKKLRBQ-CQSZACIVSA-N 2 0 262.397 2.610 20 0 CFADRP CCC[N@H+](C)CC(=O)Nc1cc(-c2ncc[nH]2)ccc1C ZINC000357901661 382367142 /nfs/dbraw/zinc/36/71/42/382367142.db2.gz PZYRXMMWBDTVKG-UHFFFAOYSA-N 2 0 286.379 2.665 20 0 CFADRP CC[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420321756 382368542 /nfs/dbraw/zinc/36/85/42/382368542.db2.gz RPWDZPCRDFCUSE-CABCVRRESA-N 2 0 262.397 2.612 20 0 CFADRP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420321987 382368763 /nfs/dbraw/zinc/36/87/63/382368763.db2.gz DORSSDGTEREUPX-IHRRRGAJSA-N 2 0 292.427 2.576 20 0 CFADRP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420324942 382369425 /nfs/dbraw/zinc/36/94/25/382369425.db2.gz VXEYQGZWEXOJFI-ZWKOTPCHSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000346458198 382370656 /nfs/dbraw/zinc/37/06/56/382370656.db2.gz LKFXVXTWYPHZNL-CRAIPNDOSA-N 2 0 288.435 2.940 20 0 CFADRP CCN(CC)CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC(C)C ZINC000420325421 382370643 /nfs/dbraw/zinc/37/06/43/382370643.db2.gz WGJCPUCIBNBNKI-QGZVFWFLSA-N 2 0 283.504 2.676 20 0 CFADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420326017 382370772 /nfs/dbraw/zinc/37/07/72/382370772.db2.gz WYDCJWFZDFNPTI-HZPDHXFCSA-N 2 0 290.455 2.564 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000420326785 382371221 /nfs/dbraw/zinc/37/12/21/382371221.db2.gz XRKYTQQCSGXRHM-INIZCTEOSA-N 2 0 276.424 2.695 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420325310 382371448 /nfs/dbraw/zinc/37/14/48/382371448.db2.gz CVUOHJQCPCUJKF-CABCVRRESA-N 2 0 268.445 2.641 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330578 382373704 /nfs/dbraw/zinc/37/37/04/382373704.db2.gz AWFPVUGHCIVMDJ-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cccc([C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420331961 382373868 /nfs/dbraw/zinc/37/38/68/382373868.db2.gz MYWQAKPRBXPJGR-QGTPRVQTSA-N 2 0 288.435 2.884 20 0 CFADRP COc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420397707 382397510 /nfs/dbraw/zinc/39/75/10/382397510.db2.gz MWCKSWDJDHNVKU-SJLPKXTDSA-N 2 0 288.435 2.702 20 0 CFADRP CCN1CC[C@H]([NH2+]CCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000420395878 382397656 /nfs/dbraw/zinc/39/76/56/382397656.db2.gz DSOXNVAJTANNFE-LSDHHAIUSA-N 2 0 299.821 2.553 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C)s1 ZINC000352526122 382381020 /nfs/dbraw/zinc/38/10/20/382381020.db2.gz KJYCSEWAYWQVGT-OAHLLOKOSA-N 2 0 264.438 2.940 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534773 382382419 /nfs/dbraw/zinc/38/24/19/382382419.db2.gz IZLALMNRMFMTQI-SFHVURJKSA-N 2 0 288.435 2.833 20 0 CFADRP c1cncc(CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420358477 382382449 /nfs/dbraw/zinc/38/24/49/382382449.db2.gz JBLXSYCAXVWZDU-KRWDZBQOSA-N 2 0 287.451 2.726 20 0 CFADRP COc1ccccc1/C=C\C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352533988 382383321 /nfs/dbraw/zinc/38/33/21/382383321.db2.gz BWGQAVKHASMRNS-QKIRZYONSA-N 2 0 274.408 2.912 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000420362463 382383994 /nfs/dbraw/zinc/38/39/94/382383994.db2.gz ARUONQUEIBYCOF-CZUORRHYSA-N 2 0 262.397 2.736 20 0 CFADRP CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000420363208 382385514 /nfs/dbraw/zinc/38/55/14/382385514.db2.gz BJPUYECPPWSOMU-RYUDHWBXSA-N 2 0 278.362 2.896 20 0 CFADRP Clc1ccccc1O[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420365720 382387400 /nfs/dbraw/zinc/38/74/00/382387400.db2.gz FHKAEMQNUCEKOO-KBPBESRZSA-N 2 0 294.826 2.793 20 0 CFADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352540722 382388430 /nfs/dbraw/zinc/38/84/30/382388430.db2.gz ONQSUMGJFGOTCX-QAPCUYQASA-N 2 0 288.435 2.874 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000365406967 382389094 /nfs/dbraw/zinc/38/90/94/382389094.db2.gz XHAOYTZIUVWZIC-HNNXBMFYSA-N 2 0 298.471 2.915 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CCC2CC[NH2+]CC2)ccn1 ZINC000420368475 382389645 /nfs/dbraw/zinc/38/96/45/382389645.db2.gz WYWBDBBSCVGGHB-MRXNPFEDSA-N 2 0 259.397 2.608 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420373563 382391654 /nfs/dbraw/zinc/39/16/54/382391654.db2.gz MMSOWKNPKLVBGV-WDEREUQCSA-N 2 0 270.323 2.548 20 0 CFADRP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCC[NH3+] ZINC000420377950 382392356 /nfs/dbraw/zinc/39/23/56/382392356.db2.gz SZSUNGLYPNQRBU-DZGCQCFKSA-N 2 0 262.397 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000357846455 382347463 /nfs/dbraw/zinc/34/74/63/382347463.db2.gz CKCZZBFJYDNNRV-FZKCQIBNSA-N 2 0 268.445 2.510 20 0 CFADRP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420295581 382347530 /nfs/dbraw/zinc/34/75/30/382347530.db2.gz PPRWCYNXYMELMJ-LBPRGKRZSA-N 2 0 299.418 2.718 20 0 CFADRP Fc1ccc(CC[N@H+](CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000420297067 382347846 /nfs/dbraw/zinc/34/78/46/382347846.db2.gz FHBUAGGOZIENOF-OAHLLOKOSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1cccc([C@@H]([NH2+]CCOCC[NH3+])C(C)(C)C)c1 ZINC000420404615 382399468 /nfs/dbraw/zinc/39/94/68/382399468.db2.gz MJYZNNYBFCVVQR-OAHLLOKOSA-N 2 0 264.413 2.647 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420404198 382399530 /nfs/dbraw/zinc/39/95/30/382399530.db2.gz LXNHTHBHZYTLOV-GZBFAFLISA-N 2 0 264.413 2.762 20 0 CFADRP C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000420409183 382401425 /nfs/dbraw/zinc/40/14/25/382401425.db2.gz QHLRSHRPSOLGCR-ZFWWWQNUSA-N 2 0 264.388 2.675 20 0 CFADRP C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000420409178 382401550 /nfs/dbraw/zinc/40/15/50/382401550.db2.gz QHLRSHRPSOLGCR-HIFRSBDPSA-N 2 0 264.388 2.675 20 0 CFADRP c1ccc([C@@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCOC2)cc1 ZINC000420412060 382401576 /nfs/dbraw/zinc/40/15/76/382401576.db2.gz SAFSNDHGBQDMIY-QZTJIDSGSA-N 2 0 288.435 2.744 20 0 CFADRP CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420413160 382402994 /nfs/dbraw/zinc/40/29/94/382402994.db2.gz SSPNPIQXISXUNP-CHWSQXEVSA-N 2 0 294.443 2.958 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420423134 382403369 /nfs/dbraw/zinc/40/33/69/382403369.db2.gz ZXJZXQQSSILCIQ-UONOGXRCSA-N 2 0 294.464 2.704 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2Cc3ccccc3O2)C1 ZINC000378161187 382409270 /nfs/dbraw/zinc/40/92/70/382409270.db2.gz PUIMQRKMZYAQJR-RDJZCZTQSA-N 2 0 288.435 2.654 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCSCc1ccccc1F ZINC000358037015 382421646 /nfs/dbraw/zinc/42/16/46/382421646.db2.gz LPJYEKKAPSGKGY-CZUORRHYSA-N 2 0 296.455 2.989 20 0 CFADRP CC(C)(C)CC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000346640772 382450069 /nfs/dbraw/zinc/45/00/69/382450069.db2.gz JXMMEWDVRYKFIY-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352702445 382451755 /nfs/dbraw/zinc/45/17/55/382451755.db2.gz WVQBXBYFIGAIKH-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@H](C)C1 ZINC000188664884 382453297 /nfs/dbraw/zinc/45/32/97/382453297.db2.gz AMEKDZSUEPMNHF-OIISXLGYSA-N 2 0 282.472 2.638 20 0 CFADRP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)CC(C)(C)C[NH3+] ZINC000346650523 382456154 /nfs/dbraw/zinc/45/61/54/382456154.db2.gz CQBUHFUGZOEFDX-UHFFFAOYSA-N 2 0 290.329 2.844 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)F)CC[N@@H+]1C ZINC000188715448 382463146 /nfs/dbraw/zinc/46/31/46/382463146.db2.gz MGWWGGAKUGUPLH-GXTWGEPZSA-N 2 0 298.377 2.903 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000358136131 382465188 /nfs/dbraw/zinc/46/51/88/382465188.db2.gz DSNVASROZLFHHQ-DEYYWGMASA-N 2 0 288.435 2.699 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000358162735 382479899 /nfs/dbraw/zinc/47/98/99/382479899.db2.gz SJJIHCDMTWNUTO-IRXDYDNUSA-N 2 0 258.409 2.754 20 0 CFADRP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000378527095 382480242 /nfs/dbraw/zinc/48/02/42/382480242.db2.gz CBLYDGHQOTWLAU-DLBZAZTESA-N 2 0 294.483 2.780 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188809142 382482647 /nfs/dbraw/zinc/48/26/47/382482647.db2.gz IVXNXIZEHROUDQ-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CCC(C)(C)OCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000308731315 382487226 /nfs/dbraw/zinc/48/72/26/382487226.db2.gz JOYNCZHMKDGBKS-HZSPNIEDSA-N 2 0 256.434 2.510 20 0 CFADRP c1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346813241 382525896 /nfs/dbraw/zinc/52/58/96/382525896.db2.gz AHBONRJTNAQNSS-ZBFHGGJFSA-N 2 0 276.449 2.776 20 0 CFADRP CCN(CC(C)(C)[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000346815500 382527084 /nfs/dbraw/zinc/52/70/84/382527084.db2.gz CEHVAQVARHHXCU-WBVHZDCISA-N 2 0 289.467 2.881 20 0 CFADRP CSC1(C[NH2+]C/C=C/c2ccncc2)CC[NH+](C)CC1 ZINC000353210443 382527809 /nfs/dbraw/zinc/52/78/09/382527809.db2.gz LWHWSOXSLBHNIU-ONEGZZNKSA-N 2 0 291.464 2.512 20 0 CFADRP c1ccc(CCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311614757 382506023 /nfs/dbraw/zinc/50/60/23/382506023.db2.gz GKGLBCFTBROWGM-CALCHBBNSA-N 2 0 258.409 2.551 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000379896380 382509683 /nfs/dbraw/zinc/50/96/83/382509683.db2.gz HHOWJLIYNTXOQP-KGLIPLIRSA-N 2 0 297.240 2.851 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000312046003 382510321 /nfs/dbraw/zinc/51/03/21/382510321.db2.gz VCAMUMBULNOJGJ-OAHLLOKOSA-N 2 0 270.461 2.903 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421367308 382513912 /nfs/dbraw/zinc/51/39/12/382513912.db2.gz DPPYDSRFYRUQLY-SHARSMKWSA-N 2 0 256.434 2.510 20 0 CFADRP CCCOc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000380525271 382514714 /nfs/dbraw/zinc/51/47/14/382514714.db2.gz SAYHRYZIKYCJRE-RHSMWYFYSA-N 2 0 276.424 2.892 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1 ZINC000346797542 382515413 /nfs/dbraw/zinc/51/54/13/382515413.db2.gz OELAAMLSXSOFNZ-JJRVBVJISA-N 2 0 276.424 2.699 20 0 CFADRP C[C@@H]1[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCN1C ZINC000346797516 382515449 /nfs/dbraw/zinc/51/54/49/382515449.db2.gz OAACNTSHEZTNFB-RLCCDNCMSA-N 2 0 278.827 2.880 20 0 CFADRP CC(C)CC[C@@H](O)CN1CCC([NH2+]C2CCCC2)CC1 ZINC000366477166 382516081 /nfs/dbraw/zinc/51/60/81/382516081.db2.gz YXUPUVARCRXRNN-QGZVFWFLSA-N 2 0 282.472 2.780 20 0 CFADRP CC[NH+]1CCC(CNc2cc[nH+]c(C)c2Cl)CC1 ZINC000381174204 382518007 /nfs/dbraw/zinc/51/80/07/382518007.db2.gz MWFJPDGEFSHNEV-UHFFFAOYSA-N 2 0 267.804 2.609 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000358236613 382519134 /nfs/dbraw/zinc/51/91/34/382519134.db2.gz AKNINUUOELJNKC-RDJZCZTQSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000366648121 382538189 /nfs/dbraw/zinc/53/81/89/382538189.db2.gz YGYSLSMCEHOALI-UHFFFAOYSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000353359485 382538385 /nfs/dbraw/zinc/53/83/85/382538385.db2.gz URJSLJMQLOKTGU-FZCLSBEQSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000346846986 382543038 /nfs/dbraw/zinc/54/30/38/382543038.db2.gz ONWBQCAZNZFGPF-CWVYHPPDSA-N 2 0 250.430 2.872 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)CC1 ZINC000680649907 542347158 /nfs/dbraw/zinc/34/71/58/542347158.db2.gz GYKUDQZEIBNJLK-BPLDGKMQSA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000346858952 382547578 /nfs/dbraw/zinc/54/75/78/382547578.db2.gz HLDGBHARBPWXMZ-PMPSAXMXSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@H+](CCOCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000384025207 382548471 /nfs/dbraw/zinc/54/84/71/382548471.db2.gz XAIMBIAVYYDMSH-MRXNPFEDSA-N 2 0 276.424 2.525 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccccc2F)[C@H](C)C1 ZINC000346866751 382551427 /nfs/dbraw/zinc/55/14/27/382551427.db2.gz HMJNYGMYJXQGOQ-GDBMZVCRSA-N 2 0 293.430 2.948 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353521881 382557353 /nfs/dbraw/zinc/55/73/53/382557353.db2.gz QRFHXLLXJJZTRB-NEXFUWMNSA-N 2 0 268.445 2.652 20 0 CFADRP Cc1ccnc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000353611162 382577060 /nfs/dbraw/zinc/57/70/60/382577060.db2.gz XQBBOJOZOYGEOC-AWEZNQCLSA-N 2 0 273.424 2.915 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000353587344 382565561 /nfs/dbraw/zinc/56/55/61/382565561.db2.gz HOUQLHSYKIGAIF-YIYPIFLZSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000358326238 382569368 /nfs/dbraw/zinc/56/93/68/382569368.db2.gz ZSWUQQFWYSNEFV-IIYDPXPESA-N 2 0 274.408 2.535 20 0 CFADRP C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)C[NH+]1CCCCC1 ZINC000385470493 382571637 /nfs/dbraw/zinc/57/16/37/382571637.db2.gz AIPHEHZBZYCEGE-LSDHHAIUSA-N 2 0 270.486 2.984 20 0 CFADRP CSC1(C[NH2+][C@H](C)C2(C)CC2)CC[NH+](C)CC1 ZINC000353610442 382577769 /nfs/dbraw/zinc/57/77/69/382577769.db2.gz MPLCYLFAMKHDIA-GFCCVEGCSA-N 2 0 256.459 2.592 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000358335233 382573634 /nfs/dbraw/zinc/57/36/34/382573634.db2.gz ATPLDCFQAXQIJN-BSDSXHPESA-N 2 0 295.515 2.815 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000189248996 382574524 /nfs/dbraw/zinc/57/45/24/382574524.db2.gz IICVSSSEMJHCIO-LMPOIIKSSA-N 2 0 268.445 2.512 20 0 CFADRP CCOC1CC(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000189254046 382574893 /nfs/dbraw/zinc/57/48/93/382574893.db2.gz UZIXYGADOCNOHJ-SXDHFHGXSA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346831641 382533608 /nfs/dbraw/zinc/53/36/08/382533608.db2.gz QJJYCRVEZAQKSK-UBHSHLNASA-N 2 0 279.453 2.826 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)[C@H]2CCC[C@@H]21 ZINC000353609111 382575486 /nfs/dbraw/zinc/57/54/86/382575486.db2.gz AEHKFXVESLLHNW-PMPSAXMXSA-N 2 0 284.407 2.525 20 0 CFADRP Fc1ccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346835830 382536360 /nfs/dbraw/zinc/53/63/60/382536360.db2.gz OESOUYXJHIHERK-CQSZACIVSA-N 2 0 292.398 2.669 20 0 CFADRP COCC[N@H+](CCCc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346839730 382537896 /nfs/dbraw/zinc/53/78/96/382537896.db2.gz SRRHFEUDHSUMIK-GOSISDBHSA-N 2 0 290.451 2.567 20 0 CFADRP c1cncc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C2CC2)c1 ZINC000358362162 382587809 /nfs/dbraw/zinc/58/78/09/382587809.db2.gz DQHYNLTWAKCGPH-BRWVUGGUSA-N 2 0 271.408 2.749 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nccs2)[C@H]2CCC[C@H]21 ZINC000353635036 382589528 /nfs/dbraw/zinc/58/95/28/382589528.db2.gz XVYMVYBVTJFTTL-HZSPNIEDSA-N 2 0 279.453 2.538 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](C)CCCC2CCOCC2)CCN1C ZINC000346967064 382591615 /nfs/dbraw/zinc/59/16/15/382591615.db2.gz IULRXDHLTSHPQD-ZBFHGGJFSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3cn[nH]c3)CC2)C1 ZINC000353651871 382595090 /nfs/dbraw/zinc/59/50/90/382595090.db2.gz UPPLKQRVIPVPGW-WMLDXEAASA-N 2 0 290.455 2.585 20 0 CFADRP COc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1O ZINC000387265675 382597191 /nfs/dbraw/zinc/59/71/91/382597191.db2.gz COKBVVHUBJHXRG-UHFFFAOYSA-N 2 0 280.412 2.611 20 0 CFADRP COc1cc(C)nc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000387363731 382597862 /nfs/dbraw/zinc/59/78/62/382597862.db2.gz VHIGBNDTCWCGAD-UHFFFAOYSA-N 2 0 279.428 2.609 20 0 CFADRP Cc1csc(C[NH2+]C(C)(C)CCC[NH+](C)C)n1 ZINC000387382791 382598193 /nfs/dbraw/zinc/59/81/93/382598193.db2.gz YUHBFCTXRFTPGG-UHFFFAOYSA-N 2 0 255.431 2.662 20 0 CFADRP COCC[N@H+](C)CCCNc1ccnc2ccsc21 ZINC000189431520 382608002 /nfs/dbraw/zinc/60/80/02/382608002.db2.gz JZARFRNOGPYMSG-UHFFFAOYSA-N 2 0 279.409 2.677 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCCOC1 ZINC000388738731 382609046 /nfs/dbraw/zinc/60/90/46/382609046.db2.gz IDHSPVRTXRQSKU-YXAMBPQSSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000388812433 382609567 /nfs/dbraw/zinc/60/95/67/382609567.db2.gz APPYSRBEDGEDIK-AVRGHOLYSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)COCc1ccccc1 ZINC000389936853 382617370 /nfs/dbraw/zinc/61/73/70/382617370.db2.gz JZYGRJQEHFLTPA-DJIMGWMZSA-N 2 0 276.424 2.699 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c[nH]nc3c2)C[C@H]1C ZINC000353735288 382620888 /nfs/dbraw/zinc/62/08/88/382620888.db2.gz DETOISMHABSTHY-CJNGLKHVSA-N 2 0 286.423 2.868 20 0 CFADRP CC(C)COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367615801 382578252 /nfs/dbraw/zinc/57/82/52/382578252.db2.gz MEUUPUBPUYJNNC-XHSDSOJGSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCCn1cnc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000385924981 382580866 /nfs/dbraw/zinc/58/08/66/382580866.db2.gz AUMIDEMQZYPXNU-HUUCEWRRSA-N 2 0 286.423 2.547 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000386074760 382582570 /nfs/dbraw/zinc/58/25/70/382582570.db2.gz FYWNJDWEZDNNMM-XKQJLSEDSA-N 2 0 258.409 2.664 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(OC)ns1 ZINC000399105694 382637908 /nfs/dbraw/zinc/63/79/08/382637908.db2.gz JHRMTQVAOBNDBY-LBPRGKRZSA-N 2 0 285.457 2.752 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Cl)cs1 ZINC000193142690 382716211 /nfs/dbraw/zinc/71/62/11/382716211.db2.gz RHKLODHTHWNJFT-GFCCVEGCSA-N 2 0 290.860 2.848 20 0 CFADRP C[C@@H](O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336834987 382728481 /nfs/dbraw/zinc/72/84/81/382728481.db2.gz SSKYXBMMHPSAMC-SJORKVTESA-N 2 0 282.472 2.591 20 0 CFADRP CN1CC[C@@H]2CC[N@H+](CCSCc3ccccc3)[C@@H]2C1 ZINC000193917253 382729274 /nfs/dbraw/zinc/72/92/74/382729274.db2.gz ZDBZNUGWOKBWHY-IAGOWNOFSA-N 2 0 290.476 2.946 20 0 CFADRP Cc1ccc(F)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000219583991 382794062 /nfs/dbraw/zinc/79/40/62/382794062.db2.gz YBXMTNJUHQFNON-IUODEOHRSA-N 2 0 250.361 2.836 20 0 CFADRP CO[C@]1(C)C[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)C1(C)C ZINC000575522453 382773381 /nfs/dbraw/zinc/77/33/81/382773381.db2.gz QKYPMEWJLBPCCP-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337288037 382794598 /nfs/dbraw/zinc/79/45/98/382794598.db2.gz AMSWRSHVGSHQGB-IAGOWNOFSA-N 2 0 281.488 2.665 20 0 CFADRP CC[C@H]1CC[C@@H](C)[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337288041 382794839 /nfs/dbraw/zinc/79/48/39/382794839.db2.gz AMSWRSHVGSHQGB-SJORKVTESA-N 2 0 281.488 2.665 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000337234376 382782224 /nfs/dbraw/zinc/78/22/24/382782224.db2.gz AJTKRRCJSFTYQC-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H](CC[NH2+]CCCC[NH+]1CCOCC1)c1ccccc1 ZINC000194214882 382737724 /nfs/dbraw/zinc/73/77/24/382737724.db2.gz NIQJCMAGUPGFSW-KRWDZBQOSA-N 2 0 290.451 2.882 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000194213879 382737817 /nfs/dbraw/zinc/73/78/17/382737817.db2.gz YVSLYXHTQJMWLQ-HNNXBMFYSA-N 2 0 276.428 2.585 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000194567451 382748574 /nfs/dbraw/zinc/74/85/74/382748574.db2.gz FTVPXXCOLNCMLQ-DOTOQJQBSA-N 2 0 278.440 2.737 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)n1C ZINC000577078035 382847294 /nfs/dbraw/zinc/84/72/94/382847294.db2.gz ROJFKMDEPMIZRK-GOSISDBHSA-N 2 0 298.434 2.655 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000228534304 382847540 /nfs/dbraw/zinc/84/75/40/382847540.db2.gz XLFRMFCFZKVYNC-GZBFAFLISA-N 2 0 294.826 2.908 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000070188146 412968006 /nfs/dbraw/zinc/96/80/06/412968006.db2.gz YOMJZXRCCOIENN-UHFFFAOYSA-N 2 0 285.391 2.902 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)COC(C)C)CC1 ZINC000337324242 382801355 /nfs/dbraw/zinc/80/13/55/382801355.db2.gz AZTGOWRXLMSYEB-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]CCOCC[NH2+][C@@H]1CCC1(C)C ZINC000576169564 382812740 /nfs/dbraw/zinc/81/27/40/382812740.db2.gz KRTDWTVSMPYWGF-ZIAGYGMSSA-N 2 0 268.445 2.559 20 0 CFADRP CC[C@H](O)C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000576220553 382815184 /nfs/dbraw/zinc/81/51/84/382815184.db2.gz VYRMVWWOYTXQFH-SZMVWBNQSA-N 2 0 290.451 2.648 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2Cc3ccccc3C2)C1 ZINC000576243905 382816382 /nfs/dbraw/zinc/81/63/82/382816382.db2.gz QCACJJYTILLJCH-HNNXBMFYSA-N 2 0 272.436 2.723 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000337428898 382819483 /nfs/dbraw/zinc/81/94/83/382819483.db2.gz UDTQNAPFQGHGDB-KURKYZTESA-N 2 0 295.515 2.769 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000576359765 382820254 /nfs/dbraw/zinc/82/02/54/382820254.db2.gz LIVNBOCOGRPRHO-DLBZAZTESA-N 2 0 293.499 2.892 20 0 CFADRP Cc1ncncc1[C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000576528183 382826105 /nfs/dbraw/zinc/82/61/05/382826105.db2.gz DFXQYQYPFXEDGO-HIFRSBDPSA-N 2 0 278.444 2.802 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226326484 382826927 /nfs/dbraw/zinc/82/69/27/382826927.db2.gz HEZBLZDWBSPGPF-OLZOCXBDSA-N 2 0 250.361 2.948 20 0 CFADRP C[N@H+](CCOc1ccccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000226435236 382828455 /nfs/dbraw/zinc/82/84/55/382828455.db2.gz IPUDNLDALRYLTA-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP Fc1ccccc1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000226435031 382828555 /nfs/dbraw/zinc/82/85/55/382828555.db2.gz PZTBICXOLJAQIR-ZDUSSCGKSA-N 2 0 262.372 2.790 20 0 CFADRP Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)s1 ZINC000227184942 382834804 /nfs/dbraw/zinc/83/48/04/382834804.db2.gz KQUUMYFXXJNIEI-AAEUAGOBSA-N 2 0 252.427 2.924 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000227329480 382835832 /nfs/dbraw/zinc/83/58/32/382835832.db2.gz HXUBHFPBIFHWTM-UHFFFAOYSA-N 2 0 286.341 2.925 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)C2CCOCC2)C1 ZINC000576801893 382836764 /nfs/dbraw/zinc/83/67/64/382836764.db2.gz NFKDWXMZJGVOIO-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000576814703 382837054 /nfs/dbraw/zinc/83/70/54/382837054.db2.gz OSQFCZGRGXTBTA-CVEARBPZSA-N 2 0 271.408 2.818 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C[NH+]1CCCCC1 ZINC000227539114 382837760 /nfs/dbraw/zinc/83/77/60/382837760.db2.gz UITJTIPJPDAWMU-ZTFGCOKTSA-N 2 0 287.451 2.843 20 0 CFADRP CC(C)c1[nH+]c(CNCC2=CC[N@H+](C)CC2)c2ccccn21 ZINC000576949444 382842314 /nfs/dbraw/zinc/84/23/14/382842314.db2.gz GFUUPYLJHDONEK-UHFFFAOYSA-N 2 0 298.434 2.809 20 0 CFADRP CC(C)CC[C@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000577005651 382844173 /nfs/dbraw/zinc/84/41/73/382844173.db2.gz LRMAJDBOGJGTSU-KRWDZBQOSA-N 2 0 284.488 2.836 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228193300 382845712 /nfs/dbraw/zinc/84/57/12/382845712.db2.gz VLCMMBIQHPYSFB-COXVUDFISA-N 2 0 274.408 2.540 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493925694 382906661 /nfs/dbraw/zinc/90/66/61/382906661.db2.gz MGHUKEFQNOWUBP-IXDOHACOSA-N 2 0 288.435 2.843 20 0 CFADRP Cc1ncc(C[NH2+]CCC[C@H](C)CO)n1-c1ccccc1 ZINC000230160655 382856728 /nfs/dbraw/zinc/85/67/28/382856728.db2.gz DSAVJBDGYNRKAN-AWEZNQCLSA-N 2 0 287.407 2.679 20 0 CFADRP COc1ccc(C[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000577423359 382858670 /nfs/dbraw/zinc/85/86/70/382858670.db2.gz HLLWDIPIFZQWFJ-CQSZACIVSA-N 2 0 296.430 2.896 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCCCOc1ccccc1 ZINC000577610418 382864637 /nfs/dbraw/zinc/86/46/37/382864637.db2.gz HJKXKSWZLUWOJV-JKSUJKDBSA-N 2 0 276.424 2.905 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577816020 382871185 /nfs/dbraw/zinc/87/11/85/382871185.db2.gz OZHJKDPBPLMDJZ-FOLVSLTJSA-N 2 0 268.445 2.654 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577933418 382875451 /nfs/dbraw/zinc/87/54/51/382875451.db2.gz WPBFIEZXZZWMJH-ZSHCYNCHSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C1CCOCC1 ZINC000235468875 382882446 /nfs/dbraw/zinc/88/24/46/382882446.db2.gz ONYBAPVFFAGBJW-YCPHGPKFSA-N 2 0 268.445 2.702 20 0 CFADRP COCC(C)(C)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000494306510 382911022 /nfs/dbraw/zinc/91/10/22/382911022.db2.gz CVUOXSGTPAHUCV-GJZGRUSLSA-N 2 0 270.461 2.617 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000337985970 382889061 /nfs/dbraw/zinc/88/90/61/382889061.db2.gz MYWYEJPOANCRSQ-KFWWJZLASA-N 2 0 256.409 2.836 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cncc(C)c2)C[C@@H]1C ZINC000442687477 382946126 /nfs/dbraw/zinc/94/61/26/382946126.db2.gz YBRTYMSSFUMDJO-GOEBONIOSA-N 2 0 261.413 2.695 20 0 CFADRP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000338189307 382947325 /nfs/dbraw/zinc/94/73/25/382947325.db2.gz GCJAETPGIBMMPM-OVHOFWQVSA-N 2 0 296.842 2.646 20 0 CFADRP C[NH+](C)Cc1ccc(-c2noc(C3([NH3+])CCCC3)n2)cc1 ZINC000442753129 382951772 /nfs/dbraw/zinc/95/17/72/382951772.db2.gz GCLFALYGFJKRIC-UHFFFAOYSA-N 2 0 286.379 2.526 20 0 CFADRP CCS[C@H]1CCCC[N@H+](CCCc2cncn2C)C1 ZINC000578761266 382952698 /nfs/dbraw/zinc/95/26/98/382952698.db2.gz AFDXILMGDDWMGI-HNNXBMFYSA-N 2 0 281.469 2.960 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442766612 382952857 /nfs/dbraw/zinc/95/28/57/382952857.db2.gz LBUXYLNSCUNHRN-PQAIKRCPSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000578824779 382957069 /nfs/dbraw/zinc/95/70/69/382957069.db2.gz TYCOYWYLBJJULT-UONOGXRCSA-N 2 0 288.439 2.680 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000578359644 382914313 /nfs/dbraw/zinc/91/43/13/382914313.db2.gz OANRKWCSCIMRHY-MCIONIFRSA-N 2 0 292.448 2.789 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1(C)C ZINC000442871931 382962533 /nfs/dbraw/zinc/96/25/33/382962533.db2.gz MLCQMYOFERAJPR-IAGOWNOFSA-N 2 0 293.499 2.571 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC000578453204 382923192 /nfs/dbraw/zinc/92/31/92/382923192.db2.gz JJBQATIAWMSFSR-CHWSQXEVSA-N 2 0 293.480 2.814 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000578453458 382923568 /nfs/dbraw/zinc/92/35/68/382923568.db2.gz TVBWDZNZDOXQJC-KLHDSHLOSA-N 2 0 274.408 2.801 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442918597 382963152 /nfs/dbraw/zinc/96/31/52/382963152.db2.gz DARYRRRNPHGWHE-GDBMZVCRSA-N 2 0 268.445 2.500 20 0 CFADRP Cc1ncc(CNc2ccc(N3CCCCC3)cn2)n1C ZINC000578523697 382928865 /nfs/dbraw/zinc/92/88/65/382928865.db2.gz MSVWPMITKQRGQC-UHFFFAOYSA-N 2 0 285.395 2.726 20 0 CFADRP COC1([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)CCCCC1 ZINC000421806169 382929428 /nfs/dbraw/zinc/92/94/28/382929428.db2.gz YQBXRAJVEBDZQB-AWEZNQCLSA-N 2 0 270.461 2.902 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1(C)C ZINC000442888124 382963369 /nfs/dbraw/zinc/96/33/69/382963369.db2.gz FBAKWCFGCKTCTF-DLBZAZTESA-N 2 0 293.499 2.571 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000534580746 382933937 /nfs/dbraw/zinc/93/39/37/382933937.db2.gz PHUQAPDOOQDVDE-INIZCTEOSA-N 2 0 299.418 2.987 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578593304 382935029 /nfs/dbraw/zinc/93/50/29/382935029.db2.gz DLYZLBFKWPZZCN-XUWVNRHRSA-N 2 0 268.445 2.652 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422769712 532963569 /nfs/dbraw/zinc/96/35/69/532963569.db2.gz PFODEOZYRWLVPN-KGLIPLIRSA-N 2 0 269.392 2.964 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCc1ccc(Br)s1 ZINC000422717064 532965122 /nfs/dbraw/zinc/96/51/22/532965122.db2.gz OCSRFHUIQMFTHR-BDAKNGLRSA-N 2 0 291.258 2.769 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(C)n1 ZINC000423021918 383016401 /nfs/dbraw/zinc/01/64/01/383016401.db2.gz GQUZODDKZYXQSH-YOEHRIQHSA-N 2 0 292.471 2.859 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423101667 532966969 /nfs/dbraw/zinc/96/69/69/532966969.db2.gz WGKHATSBPLBUNT-NDPMZMCLSA-N 2 0 250.361 2.787 20 0 CFADRP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423021751 383016567 /nfs/dbraw/zinc/01/65/67/383016567.db2.gz CTIQTRZHOVABFZ-FJGHUTTBSA-N 2 0 292.398 2.774 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422754215 382978020 /nfs/dbraw/zinc/97/80/20/382978020.db2.gz GRVLVDWPVWUVMG-OAGGEKHMSA-N 3 0 283.504 2.850 20 0 CFADRP CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422767583 382978104 /nfs/dbraw/zinc/97/81/04/382978104.db2.gz SXWUHPZWNNAELV-AAVRWANBSA-N 2 0 256.459 2.781 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000579042850 382978224 /nfs/dbraw/zinc/97/82/24/382978224.db2.gz CYACOQSFHZQOGO-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422761033 382978217 /nfs/dbraw/zinc/97/82/17/382978217.db2.gz MMKGRPRZUNAWJW-BODMPHMZSA-N 2 0 287.451 2.841 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422749878 382978317 /nfs/dbraw/zinc/97/83/17/382978317.db2.gz BHXQNTSLEQSVDB-HOTGVXAUSA-N 2 0 279.472 2.645 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)CCC[NH3+] ZINC000422787670 382978750 /nfs/dbraw/zinc/97/87/50/382978750.db2.gz UWEOKBPEINOAFD-LRDDRELGSA-N 2 0 262.397 2.790 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]2CCO[C@@H]21 ZINC000422783532 382978807 /nfs/dbraw/zinc/97/88/07/382978807.db2.gz MZBJSCDUGXWHGZ-RBZJEDDUSA-N 2 0 272.392 2.534 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000422784700 382979676 /nfs/dbraw/zinc/97/96/76/382979676.db2.gz OGTUTAIISBBILM-XMTFNYHQSA-N 2 0 293.499 2.617 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422806675 382980793 /nfs/dbraw/zinc/98/07/93/382980793.db2.gz IVOYEJDNAXNLIH-NVXWUHKLSA-N 2 0 292.467 2.723 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422837989 382982074 /nfs/dbraw/zinc/98/20/74/382982074.db2.gz NJTGTXKFCLBVRC-QZWWFDLISA-N 2 0 281.488 2.617 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338302355 382983349 /nfs/dbraw/zinc/98/33/49/382983349.db2.gz DHWOQWWCXRZUSH-IRXDYDNUSA-N 2 0 298.471 2.583 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422874322 382985398 /nfs/dbraw/zinc/98/53/98/382985398.db2.gz NIYWWKQYVRQWEW-HIFRSBDPSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000422933051 382988531 /nfs/dbraw/zinc/98/85/31/382988531.db2.gz BDRZGUVVUXDBAE-MISXGVKJSA-N 2 0 266.360 2.755 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000422935718 382988589 /nfs/dbraw/zinc/98/85/89/382988589.db2.gz HOHIYHZMTSZFCG-TUVASFSCSA-N 2 0 268.445 2.558 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000548881705 382989180 /nfs/dbraw/zinc/98/91/80/382989180.db2.gz VOIJUGHMBWLUFE-JQHSSLGASA-N 2 0 288.435 2.905 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422962984 382989558 /nfs/dbraw/zinc/98/95/58/382989558.db2.gz DWUFQEISBLWLGE-GWMXKSKGSA-N 2 0 265.401 2.502 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000548885314 382990192 /nfs/dbraw/zinc/99/01/92/382990192.db2.gz ULVUITNVCXDCIN-QLFBSQMISA-N 2 0 256.409 2.836 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422977380 382992973 /nfs/dbraw/zinc/99/29/73/382992973.db2.gz JYHYSROYPCEMMA-OWCLPIDISA-N 2 0 282.472 2.828 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000422977923 382994073 /nfs/dbraw/zinc/99/40/73/382994073.db2.gz XWZCGNMPFPKDNC-QWHCGFSZSA-N 2 0 299.418 2.836 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422978925 382994259 /nfs/dbraw/zinc/99/42/59/382994259.db2.gz KZJPLLDCOLECEW-DOTOQJQBSA-N 2 0 292.467 2.866 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H](C)[C@@H]1OC ZINC000422984323 382997030 /nfs/dbraw/zinc/99/70/30/382997030.db2.gz AIFBABOHDWUILK-VLSVSDDBSA-N 2 0 282.472 2.933 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423023294 383017792 /nfs/dbraw/zinc/01/77/92/383017792.db2.gz JKEHCWLQGDNPFB-NSHDSACASA-N 2 0 269.458 2.700 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H](C)[C@@H]1OC ZINC000422993207 383000053 /nfs/dbraw/zinc/00/00/53/383000053.db2.gz RBHSTNFXAVWSRV-BARDWOONSA-N 2 0 270.461 2.933 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000422992690 383000185 /nfs/dbraw/zinc/00/01/85/383000185.db2.gz QDLBWOCBFHGHPU-GIGZUATISA-N 2 0 250.430 2.774 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422993725 383000456 /nfs/dbraw/zinc/00/04/56/383000456.db2.gz UBKGQSAUHKVKFB-KBPBESRZSA-N 2 0 264.413 2.733 20 0 CFADRP CCCOc1cccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422993728 383001161 /nfs/dbraw/zinc/00/11/61/383001161.db2.gz UBKGQSAUHKVKFB-ZIAGYGMSSA-N 2 0 264.413 2.733 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)OC ZINC000422996680 383002384 /nfs/dbraw/zinc/00/23/84/383002384.db2.gz MTPFINQDDSCFNM-BPLDGKMQSA-N 2 0 256.434 2.558 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000423002760 383005434 /nfs/dbraw/zinc/00/54/34/383005434.db2.gz ZNXZVEZFZJOUCI-CQSZACIVSA-N 2 0 264.413 2.735 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@@H](C)CCCC[NH3+])o1 ZINC000423004099 383007200 /nfs/dbraw/zinc/00/72/00/383007200.db2.gz JDVYEIZDWPGQCJ-JSGCOSHPSA-N 2 0 268.401 2.637 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000579354859 383007460 /nfs/dbraw/zinc/00/74/60/383007460.db2.gz GGKUJHJXOMFUMZ-KRWDZBQOSA-N 2 0 274.408 2.529 20 0 CFADRP CC(C)[NH+](CCC[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000423007152 383009017 /nfs/dbraw/zinc/00/90/17/383009017.db2.gz PZTGZXHQZHGWDR-UHFFFAOYSA-N 3 0 269.477 2.602 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423012147 383009437 /nfs/dbraw/zinc/00/94/37/383009437.db2.gz KAUAMYZFPGGFEW-RLFYNMQTSA-N 2 0 290.451 2.852 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423012780 383009678 /nfs/dbraw/zinc/00/96/78/383009678.db2.gz LJGMOJLVDOPMGW-RLFYNMQTSA-N 2 0 290.451 2.994 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423012936 383009916 /nfs/dbraw/zinc/00/99/16/383009916.db2.gz LONIJFMIBNNREF-CKEIUWERSA-N 2 0 276.424 2.604 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423012942 383010235 /nfs/dbraw/zinc/01/02/35/383010235.db2.gz LONIJFMIBNNREF-VBQJREDUSA-N 2 0 276.424 2.604 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423012239 383010390 /nfs/dbraw/zinc/01/03/90/383010390.db2.gz CNUIPDPJZLYSJQ-NQNKBUKLSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423013323 383011046 /nfs/dbraw/zinc/01/10/46/383011046.db2.gz MOYFLAWNVMSPRK-DAXOMENPSA-N 2 0 295.858 2.802 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423014499 383011487 /nfs/dbraw/zinc/01/14/87/383011487.db2.gz PGBPIBDSFDCZMZ-YSVLISHTSA-N 2 0 276.424 2.591 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCSCC(C)C ZINC000423013852 383011638 /nfs/dbraw/zinc/01/16/38/383011638.db2.gz NNTBDZHXWZMAMY-LBPRGKRZSA-N 2 0 281.469 2.889 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423016743 383012893 /nfs/dbraw/zinc/01/28/93/383012893.db2.gz UMNTWWJENVRIKU-UONOGXRCSA-N 2 0 264.413 2.591 20 0 CFADRP Cc1nccn1CCCC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000245638565 383018667 /nfs/dbraw/zinc/01/86/67/383018667.db2.gz RUYXKNCJQFJBBO-CHWSQXEVSA-N 2 0 267.442 2.798 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000423045241 383028307 /nfs/dbraw/zinc/02/83/07/383028307.db2.gz BQJCJCCHOHIIEY-CYBMUJFWSA-N 2 0 291.414 2.967 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000423048967 383029694 /nfs/dbraw/zinc/02/96/94/383029694.db2.gz JMHIXQYXYIAOTJ-CWRNSKLLSA-N 2 0 266.429 2.609 20 0 CFADRP CC(C)[C@H](CO)C[NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000550818322 383030570 /nfs/dbraw/zinc/03/05/70/383030570.db2.gz KPXRLVHCVFXHAK-OKZBNKHCSA-N 2 0 290.451 2.676 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000423049628 383031856 /nfs/dbraw/zinc/03/18/56/383031856.db2.gz KAQVEDBPQAJTLC-JQFCIGGWSA-N 2 0 288.435 2.568 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423051773 383031942 /nfs/dbraw/zinc/03/19/42/383031942.db2.gz OZPJPEFPSZMSDP-LMWSTFAQSA-N 2 0 278.444 2.867 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000423051004 383032010 /nfs/dbraw/zinc/03/20/10/383032010.db2.gz ZKENQDVBAVKDCW-KBPBESRZSA-N 2 0 286.341 2.896 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423054527 383032369 /nfs/dbraw/zinc/03/23/69/383032369.db2.gz UVNWAXQZMQLKBL-KBRIMQKVSA-N 2 0 274.408 2.585 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000423054480 383032915 /nfs/dbraw/zinc/03/29/15/383032915.db2.gz UQVOZRZSYJOWBB-DDHJBXDOSA-N 2 0 264.335 2.695 20 0 CFADRP c1ccc([C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000423053463 383033007 /nfs/dbraw/zinc/03/30/07/383033007.db2.gz SKDMPUBITOAEGF-GFHHTVLPSA-N 2 0 286.419 2.779 20 0 CFADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCSCc1ccccc1 ZINC000579607643 383034864 /nfs/dbraw/zinc/03/48/64/383034864.db2.gz LDIKCDOSXNZFSU-DZGCQCFKSA-N 2 0 264.438 2.731 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423058849 383035259 /nfs/dbraw/zinc/03/52/59/383035259.db2.gz KJOSMXLAHBXACQ-WDEREUQCSA-N 2 0 285.229 2.973 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(OC)c1 ZINC000423388206 383078342 /nfs/dbraw/zinc/07/83/42/383078342.db2.gz IHHNAHYACUDTMQ-VBNZEHGJSA-N 2 0 262.397 2.734 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cccnc2C)[C@@H](C)C1 ZINC000245786236 383036190 /nfs/dbraw/zinc/03/61/90/383036190.db2.gz VHXAIIVHYGFHTO-BBRMVZONSA-N 2 0 261.413 2.552 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccnc2C)[C@@H](C)C1 ZINC000245786239 383036399 /nfs/dbraw/zinc/03/63/99/383036399.db2.gz VHXAIIVHYGFHTO-XJKSGUPXSA-N 2 0 261.413 2.552 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423064423 383037936 /nfs/dbraw/zinc/03/79/36/383037936.db2.gz YXHDKXSWKIOSGS-NEPJUHHUSA-N 2 0 252.427 2.765 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000423064666 383038737 /nfs/dbraw/zinc/03/87/37/383038737.db2.gz ZKKNMBFIQKILFQ-LLVKDONJSA-N 2 0 285.229 2.975 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000423069509 383040088 /nfs/dbraw/zinc/04/00/88/383040088.db2.gz LSAXDBTVBHUPPU-ZIAGYGMSSA-N 2 0 298.377 2.938 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000423082091 383040897 /nfs/dbraw/zinc/04/08/97/383040897.db2.gz DWFGUGWIURCPQG-HZPDHXFCSA-N 2 0 276.424 2.789 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423089303 383041272 /nfs/dbraw/zinc/04/12/72/383041272.db2.gz SAJVZHUUBNUCMN-DJIMGWMZSA-N 2 0 276.424 2.742 20 0 CFADRP CC[C@H](C)N(C)CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245866624 383041769 /nfs/dbraw/zinc/04/17/69/383041769.db2.gz IREBMHBGYCXZQH-GBJTYRQASA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000423073806 383041739 /nfs/dbraw/zinc/04/17/39/383041739.db2.gz JWLUFNDGEBSVRH-SOLBZPMBSA-N 2 0 293.499 2.904 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423114309 383043026 /nfs/dbraw/zinc/04/30/26/383043026.db2.gz VDUNKDDFCGSZMK-WNRNVDISSA-N 2 0 293.499 2.761 20 0 CFADRP CC/C=C/C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158048 383046931 /nfs/dbraw/zinc/04/69/31/383046931.db2.gz NRZGJAZDJNSXFA-OJTKRLQFSA-N 2 0 272.392 2.798 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000338774797 383046924 /nfs/dbraw/zinc/04/69/24/383046924.db2.gz LOOKRJGXUHGNDZ-INIZCTEOSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC[C@H]2C)c2ccccc2O1 ZINC000423164595 383046994 /nfs/dbraw/zinc/04/69/94/383046994.db2.gz XCYODVDKHOANHO-LUYZLQTOSA-N 2 0 274.408 2.876 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423181741 383047455 /nfs/dbraw/zinc/04/74/55/383047455.db2.gz PKJRECDLXVEBND-UONOGXRCSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423170687 383047686 /nfs/dbraw/zinc/04/76/86/383047686.db2.gz MROOHERNBMENET-UKMLZYKCSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])CC(F)(F)F ZINC000423189463 383049181 /nfs/dbraw/zinc/04/91/81/383049181.db2.gz REHYEBWNKUGJIZ-DCAQKATOSA-N 2 0 252.324 2.825 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000423264813 383054307 /nfs/dbraw/zinc/05/43/07/383054307.db2.gz ZEDLIEWVSVYFCH-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000423266497 383054359 /nfs/dbraw/zinc/05/43/59/383054359.db2.gz DBUODTLYMNDDFY-XJKSGUPXSA-N 2 0 264.413 2.837 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCSc2ccccc21 ZINC000423276678 383055371 /nfs/dbraw/zinc/05/53/71/383055371.db2.gz ORWILXNFBANBRV-AAEUAGOBSA-N 2 0 250.411 2.669 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423272949 383055777 /nfs/dbraw/zinc/05/57/77/383055777.db2.gz KIMLCAAGFNKJSC-WMLDXEAASA-N 2 0 298.434 2.695 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423279448 383055787 /nfs/dbraw/zinc/05/57/87/383055787.db2.gz SNXVHOSRJGXVRR-OAHLLOKOSA-N 2 0 272.436 2.913 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423292817 383056790 /nfs/dbraw/zinc/05/67/90/383056790.db2.gz OPDPTYLNJSBPNW-IGNZVWTISA-N 2 0 281.403 2.941 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423351261 383060291 /nfs/dbraw/zinc/06/02/91/383060291.db2.gz HSBDWQZRBNJBQT-COXVUDFISA-N 2 0 256.393 2.688 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423354303 383060727 /nfs/dbraw/zinc/06/07/27/383060727.db2.gz CQMKUCOQQBJTKE-VXGBXAGGSA-N 2 0 265.426 2.561 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423353031 383061327 /nfs/dbraw/zinc/06/13/27/383061327.db2.gz LGXXPZFXINNEER-NUJGCVRESA-N 2 0 285.435 2.863 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1Oc1ccccc1 ZINC000423357712 383062336 /nfs/dbraw/zinc/06/23/36/383062336.db2.gz SQQWPIMHDKIEPL-IRXDYDNUSA-N 2 0 286.419 2.742 20 0 CFADRP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423356108 383062634 /nfs/dbraw/zinc/06/26/34/383062634.db2.gz PZAGPYSKYGTIFA-NWDGAFQWSA-N 2 0 262.319 2.617 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000423361606 383063535 /nfs/dbraw/zinc/06/35/35/383063535.db2.gz XGVOBTXUQNLXFK-IAGOWNOFSA-N 2 0 285.435 2.926 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423360294 383064053 /nfs/dbraw/zinc/06/40/53/383064053.db2.gz LFDCYCJPDKVVDA-PEYYIBSZSA-N 2 0 262.372 2.791 20 0 CFADRP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)s1 ZINC000579908849 383064389 /nfs/dbraw/zinc/06/43/89/383064389.db2.gz SDTDULUEFPNOBN-ZDUSSCGKSA-N 2 0 296.480 2.955 20 0 CFADRP CC(C)(C)[NH+]1CCC(NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000423368898 383067635 /nfs/dbraw/zinc/06/76/35/383067635.db2.gz DMJDEGQTMMQXOP-UHFFFAOYSA-N 2 0 287.451 2.642 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000552063723 383068143 /nfs/dbraw/zinc/06/81/43/383068143.db2.gz KMAQNJONALQVRI-FJIDUMEYSA-N 2 0 294.483 2.779 20 0 CFADRP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423372854 383069963 /nfs/dbraw/zinc/06/99/63/383069963.db2.gz BLEOJTPQLMTRCS-FXUDXRNXSA-N 2 0 292.467 2.702 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCC2 ZINC000423375127 383070826 /nfs/dbraw/zinc/07/08/26/383070826.db2.gz ITNCTLWDPCQYAS-DLBZAZTESA-N 2 0 286.419 2.727 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423377041 383070863 /nfs/dbraw/zinc/07/08/63/383070863.db2.gz VOYQLTFAHYIXLR-OAGGEKHMSA-N 2 0 290.407 2.784 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000579991307 383073958 /nfs/dbraw/zinc/07/39/58/383073958.db2.gz JNJVISDLCLIFJD-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423383838 383076378 /nfs/dbraw/zinc/07/63/78/383076378.db2.gz FIUAZUMXILWJJE-LYRGGWFBSA-N 2 0 262.372 2.791 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423386611 383077173 /nfs/dbraw/zinc/07/71/73/383077173.db2.gz MAHXRLRKMSVLOA-KFWWJZLASA-N 2 0 290.407 2.768 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423032637 383021519 /nfs/dbraw/zinc/02/15/19/383021519.db2.gz FTTIQJKDBCBMNA-LSDHHAIUSA-N 2 0 274.408 2.586 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423035643 383022378 /nfs/dbraw/zinc/02/23/78/383022378.db2.gz SDYHINKPIWCFMS-XJKSGUPXSA-N 2 0 279.403 2.735 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCNc1cccc(F)c1 ZINC000423035641 383022683 /nfs/dbraw/zinc/02/26/83/383022683.db2.gz SDYHINKPIWCFMS-CJNGLKHVSA-N 2 0 279.403 2.735 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000579495884 383023208 /nfs/dbraw/zinc/02/32/08/383023208.db2.gz PTISKTURKPTCFI-LHKMKVQPSA-N 2 0 270.420 2.895 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCNc2ccccc2F)CC1 ZINC000423036666 383023220 /nfs/dbraw/zinc/02/32/20/383023220.db2.gz ULWXMWQWCNWPFK-UHFFFAOYSA-N 2 0 279.403 2.735 20 0 CFADRP CS[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(C)(C)C ZINC000423036214 383023442 /nfs/dbraw/zinc/02/34/42/383023442.db2.gz SSBDDMCBAZWZOU-AGIUHOORSA-N 2 0 258.475 2.884 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423040057 383024889 /nfs/dbraw/zinc/02/48/89/383024889.db2.gz SITNMKFCMKSEJS-LBPRGKRZSA-N 2 0 279.428 2.562 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423040290 383025186 /nfs/dbraw/zinc/02/51/86/383025186.db2.gz SZBOBSXOFOGNTL-KBPBESRZSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])s1 ZINC000423038767 383025287 /nfs/dbraw/zinc/02/52/87/383025287.db2.gz OZABJLOFTJKNSM-RAIGVLPGSA-N 2 0 267.442 2.805 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000423042602 383025780 /nfs/dbraw/zinc/02/57/80/383025780.db2.gz ZTVFVNFLCQRHDX-LVQVYYBASA-N 2 0 278.371 2.515 20 0 CFADRP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423040476 383026236 /nfs/dbraw/zinc/02/62/36/383026236.db2.gz HGHIXENKNVZDJI-UIJGJVKASA-N 2 0 291.483 2.512 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCCc3sccc32)CC[NH2+]CC1 ZINC000423386281 383077826 /nfs/dbraw/zinc/07/78/26/383077826.db2.gz JIFYJRJULIMWBM-CQSZACIVSA-N 2 0 294.464 2.731 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423040722 383026697 /nfs/dbraw/zinc/02/66/97/383026697.db2.gz UXFNNZAOSKRPHK-RRFJBIMHSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000423044583 383027412 /nfs/dbraw/zinc/02/74/12/383027412.db2.gz BOIVOPATUZQPKY-XLNGHYISSA-N 2 0 280.456 2.844 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423044552 383027501 /nfs/dbraw/zinc/02/75/01/383027501.db2.gz BHJVTKNXNAYTTC-TUAOUCFPSA-N 2 0 266.433 2.723 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)CCCC[NH3+])CCO1 ZINC000423042862 383027588 /nfs/dbraw/zinc/02/75/88/383027588.db2.gz MLDXTRDSFFBHMM-RBSFLKMASA-N 2 0 256.434 2.687 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423044856 383027724 /nfs/dbraw/zinc/02/77/24/383027724.db2.gz BXNSQAXYQNTGBB-BRZZBQFESA-N 2 0 262.422 2.998 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423044789 383027750 /nfs/dbraw/zinc/02/77/50/383027750.db2.gz AZJYDDMOCWMEHS-LLVKDONJSA-N 2 0 294.830 2.834 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCC2(OC)CCC2)CC1 ZINC000339009682 383119641 /nfs/dbraw/zinc/11/96/41/383119641.db2.gz FXUMKOPKJDJYMH-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000423492905 383120171 /nfs/dbraw/zinc/12/01/71/383120171.db2.gz OYTAGDNQZWAJHP-QRTARXTBSA-N 2 0 298.434 2.959 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000423493615 383120206 /nfs/dbraw/zinc/12/02/06/383120206.db2.gz QHZJKIAXARBIJO-UMNHJUIQSA-N 2 0 254.324 2.743 20 0 CFADRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccnn1C ZINC000423499087 383122231 /nfs/dbraw/zinc/12/22/31/383122231.db2.gz ALKUJOGVHACEQL-ZFWWWQNUSA-N 2 0 272.396 2.551 20 0 CFADRP Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CNCCN1C ZINC000423505127 383125089 /nfs/dbraw/zinc/12/50/89/383125089.db2.gz GNKBVXZSXZOATF-FUHWJXTLSA-N 2 0 289.467 2.575 20 0 CFADRP Cc1cccc(CC[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000449022364 383136701 /nfs/dbraw/zinc/13/67/01/383136701.db2.gz ILAJDBOHKFOZJT-UHFFFAOYSA-N 2 0 260.425 2.811 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067848 383138116 /nfs/dbraw/zinc/13/81/16/383138116.db2.gz JOAZHTSPXKEARL-IRXDYDNUSA-N 2 0 288.435 2.899 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000339068229 383138652 /nfs/dbraw/zinc/13/86/52/383138652.db2.gz NCKYBSGFUAIYEP-HUUCEWRRSA-N 2 0 292.398 2.593 20 0 CFADRP c1c2ccccc2[nH]c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339070040 383138785 /nfs/dbraw/zinc/13/87/85/383138785.db2.gz VYKAIAUCGGZTRE-GDBMZVCRSA-N 2 0 269.392 2.884 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccsc2)[C@@H](C)C1 ZINC000247079861 383139993 /nfs/dbraw/zinc/13/99/93/383139993.db2.gz OTINXKLLUQMMRC-JSGCOSHPSA-N 2 0 252.427 2.611 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCOC1 ZINC000247091718 383141244 /nfs/dbraw/zinc/14/12/44/383141244.db2.gz PLXKWIUAVGBSAO-QXSJWSMHSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@H](C)[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247085831 383141983 /nfs/dbraw/zinc/14/19/83/383141983.db2.gz RGNOTYNPPYNUAO-JJXSEGSLSA-N 2 0 270.461 2.900 20 0 CFADRP Cc1cccc(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000449030616 383142478 /nfs/dbraw/zinc/14/24/78/383142478.db2.gz SCSQOMMVFXQMDN-GOSISDBHSA-N 2 0 272.436 2.955 20 0 CFADRP COCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000247095943 383142796 /nfs/dbraw/zinc/14/27/96/383142796.db2.gz RZYJRXYHORLHEO-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP c1cc(C[NH2+][C@H]2CCC[C@H]2C2CC2)cc2c1C[NH2+]C2 ZINC000423397526 383082411 /nfs/dbraw/zinc/08/24/11/383082411.db2.gz TUMQUTZXYHVPFT-IRXDYDNUSA-N 2 0 256.393 2.958 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cccn2)cc1 ZINC000423399662 383083321 /nfs/dbraw/zinc/08/33/21/383083321.db2.gz PSQNLNUIBGVULJ-KEYYUXOJSA-N 2 0 284.407 2.521 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc2c(s1)CCC2 ZINC000423399703 383083557 /nfs/dbraw/zinc/08/35/57/383083557.db2.gz PUWLFXJBPWJPCO-MDZLAQPJSA-N 2 0 264.438 2.885 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3sccc32)CC[NH2+]1 ZINC000423403556 383083830 /nfs/dbraw/zinc/08/38/30/383083830.db2.gz YKRKOVUYBPTGMD-WZRBSPASSA-N 2 0 250.411 2.856 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000423406213 383085292 /nfs/dbraw/zinc/08/52/92/383085292.db2.gz ULMUOLFLERDCIU-GVXVVHGQSA-N 2 0 252.427 2.959 20 0 CFADRP COCc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000338915660 383085494 /nfs/dbraw/zinc/08/54/94/383085494.db2.gz ZDHPPOWTRYWBIO-UHFFFAOYSA-N 2 0 276.424 2.607 20 0 CFADRP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccc1F ZINC000423406710 383085787 /nfs/dbraw/zinc/08/57/87/383085787.db2.gz LBXDVQOFMDRJGE-INIZCTEOSA-N 2 0 294.414 2.883 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423409341 383086558 /nfs/dbraw/zinc/08/65/58/383086558.db2.gz YSZABVMCUYRMCH-XFBWCDHKSA-N 2 0 262.372 2.864 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2csc(C)c2)CC[NH2+]CC1 ZINC000423407487 383086613 /nfs/dbraw/zinc/08/66/13/383086613.db2.gz MJMNDPYCFYMNCZ-ZDUSSCGKSA-N 2 0 282.453 2.723 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC000423407565 383086888 /nfs/dbraw/zinc/08/68/88/383086888.db2.gz MRUSHHOOSSTGQZ-LBPRGKRZSA-N 2 0 298.377 2.632 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000423410828 383087665 /nfs/dbraw/zinc/08/76/65/383087665.db2.gz DQTOZBYJQKEIMD-LAVFITLUSA-N 2 0 288.435 2.537 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)CCC[NH2+]1 ZINC000423418491 383089703 /nfs/dbraw/zinc/08/97/03/383089703.db2.gz UPKKEKXALPZGNO-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000423418494 383090031 /nfs/dbraw/zinc/09/00/31/383090031.db2.gz UPKKEKXALPZGNO-OWCLPIDISA-N 2 0 268.445 2.559 20 0 CFADRP Fc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCC2)cc1 ZINC000423431844 383093451 /nfs/dbraw/zinc/09/34/51/383093451.db2.gz LZDODWSGTKFJJX-TWMKSMIVSA-N 2 0 274.383 2.864 20 0 CFADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])s1 ZINC000423430283 383093560 /nfs/dbraw/zinc/09/35/60/383093560.db2.gz KWALGDAERXYEMM-VXGBXAGGSA-N 2 0 299.484 2.809 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423432406 383094117 /nfs/dbraw/zinc/09/41/17/383094117.db2.gz MHMCZRBZEUXXMS-OLZOCXBDSA-N 2 0 277.412 2.813 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423445535 383098852 /nfs/dbraw/zinc/09/88/52/383098852.db2.gz YAOCCOCINXBIRI-SWLSCSKDSA-N 2 0 262.397 2.877 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000423449915 383099865 /nfs/dbraw/zinc/09/98/65/383099865.db2.gz WXSBIJSZXBQHFR-VVLHAWIVSA-N 2 0 294.483 2.948 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423447211 383099939 /nfs/dbraw/zinc/09/99/39/383099939.db2.gz TXFSSBWIUJGSNK-SQWLQELKSA-N 2 0 277.387 2.650 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423449702 383100051 /nfs/dbraw/zinc/10/00/51/383100051.db2.gz GPZRYNAOVTUMNP-DLTLXFJOSA-N 2 0 276.424 2.904 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000423457023 383103081 /nfs/dbraw/zinc/10/30/81/383103081.db2.gz OMJKSLSLWIDXQW-MJBXVCDLSA-N 2 0 294.439 2.913 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000423461147 383103738 /nfs/dbraw/zinc/10/37/38/383103738.db2.gz SOCHFGLOHBHPDK-GXTWGEPZSA-N 2 0 264.417 2.748 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(F)F)C1 ZINC000423460951 383104304 /nfs/dbraw/zinc/10/43/04/383104304.db2.gz BVQGZQBIJBZKPZ-ZNMIVQPWSA-N 2 0 282.378 2.970 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCS2 ZINC000423469214 383107428 /nfs/dbraw/zinc/10/74/28/383107428.db2.gz YQUSAGNHTVRPFG-FZMZJTMJSA-N 2 0 280.437 2.949 20 0 CFADRP COc1ncc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000423470852 383108482 /nfs/dbraw/zinc/10/84/82/383108482.db2.gz DMTBBRKLGRLLMO-WCQYABFASA-N 2 0 297.830 2.926 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000423473908 383109262 /nfs/dbraw/zinc/10/92/62/383109262.db2.gz GYOAXEPPJYTGLW-DZGCQCFKSA-N 2 0 290.407 2.641 20 0 CFADRP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cn1 ZINC000423473968 383109309 /nfs/dbraw/zinc/10/93/09/383109309.db2.gz HBRFBMPNQOBYKS-WCQYABFASA-N 2 0 267.804 2.918 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000423477477 383112043 /nfs/dbraw/zinc/11/20/43/383112043.db2.gz JZKIIVDTGUKAMF-ZIAGYGMSSA-N 2 0 292.423 2.887 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423479449 383112706 /nfs/dbraw/zinc/11/27/06/383112706.db2.gz VHBWWYDWEXUJCO-PGUXBMHVSA-N 2 0 266.816 2.986 20 0 CFADRP CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423479848 383113045 /nfs/dbraw/zinc/11/30/45/383113045.db2.gz VGMIEPBWVKZDDP-DUVNUKRYSA-N 2 0 264.388 2.907 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc21 ZINC000246859447 383113662 /nfs/dbraw/zinc/11/36/62/383113662.db2.gz BWALXUPBBQXJRV-VYDXJSESSA-N 2 0 287.451 2.510 20 0 CFADRP C[C@@H]1C[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)CC[N@@H+]1C ZINC000246867471 383114808 /nfs/dbraw/zinc/11/48/08/383114808.db2.gz DFZNPADUUZNZCQ-DJIMGWMZSA-N 2 0 281.488 2.569 20 0 CFADRP COC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423484877 383114955 /nfs/dbraw/zinc/11/49/55/383114955.db2.gz RFCAGMREOVYCAW-BBRMVZONSA-N 2 0 298.377 2.774 20 0 CFADRP COC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000423484878 383115319 /nfs/dbraw/zinc/11/53/19/383115319.db2.gz RFCAGMREOVYCAW-CJNGLKHVSA-N 2 0 298.377 2.774 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000423484222 383115338 /nfs/dbraw/zinc/11/53/38/383115338.db2.gz ZZUHRAGGBHWKDR-ZOFXXKQRSA-N 2 0 280.456 2.689 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423485440 383115741 /nfs/dbraw/zinc/11/57/41/383115741.db2.gz RPISJXDJQWLHNO-CJNGLKHVSA-N 2 0 274.408 2.804 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000423488449 383117827 /nfs/dbraw/zinc/11/78/27/383117827.db2.gz DOHNOVIFDLKIQU-WZRBSPASSA-N 2 0 250.411 2.843 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423491895 383118745 /nfs/dbraw/zinc/11/87/45/383118745.db2.gz KRBCUNQGMYKUAA-HLPPOEQASA-N 2 0 276.424 2.904 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491325 383118949 /nfs/dbraw/zinc/11/89/49/383118949.db2.gz ZANDPQDWMMVJBW-SWLSCSKDSA-N 2 0 292.398 2.943 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449107164 383178511 /nfs/dbraw/zinc/17/85/11/383178511.db2.gz OTNXSZJRXUHIQL-DZGCQCFKSA-N 2 0 250.386 2.532 20 0 CFADRP CCc1nocc1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000339184386 383180278 /nfs/dbraw/zinc/18/02/78/383180278.db2.gz QSGYQKGIICWGBQ-AWEZNQCLSA-N 2 0 279.428 2.839 20 0 CFADRP Cc1ccccc1-c1cnc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000566564903 383188919 /nfs/dbraw/zinc/18/89/19/383188919.db2.gz ZFAQRBKRKFNLDX-HUUCEWRRSA-N 2 0 297.402 2.691 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCC3CCOCC3)C2)C1 ZINC000339439924 383198645 /nfs/dbraw/zinc/19/86/45/383198645.db2.gz UTLMPNSRRBXKHM-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP C([NH2+][C@H]1CCOC2(CCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000449285302 383200021 /nfs/dbraw/zinc/20/00/21/383200021.db2.gz DBCZTHQSXOTQML-HNNXBMFYSA-N 2 0 278.440 2.552 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000424366072 383204932 /nfs/dbraw/zinc/20/49/32/383204932.db2.gz IJAXHZFHLTVQQT-IRCOFANPSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000424363700 383205233 /nfs/dbraw/zinc/20/52/33/383205233.db2.gz BZZXJSGWCPTIHJ-RBSFLKMASA-N 2 0 264.800 2.667 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000518753928 383206675 /nfs/dbraw/zinc/20/66/75/383206675.db2.gz YOLLAUPPILDRON-CABCVRRESA-N 2 0 275.440 2.645 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449302268 383208246 /nfs/dbraw/zinc/20/82/46/383208246.db2.gz UUCMNMILZKEHGY-JEYLPNPQSA-N 2 0 262.397 2.817 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC)cc2)[C@@H](C)C1 ZINC000247173010 383149616 /nfs/dbraw/zinc/14/96/16/383149616.db2.gz RFOGBFGLIGMQEG-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)c2ccccc2)[C@H](C)C1 ZINC000247189970 383151623 /nfs/dbraw/zinc/15/16/23/383151623.db2.gz VRZHAIICWAHWMU-RYRKJORJSA-N 2 0 289.467 2.831 20 0 CFADRP CC[N@@H+]1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000247227979 383153975 /nfs/dbraw/zinc/15/39/75/383153975.db2.gz WSYGTWJYHMEMNP-HOCLYGCPSA-N 2 0 281.488 2.569 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000519350440 383211214 /nfs/dbraw/zinc/21/12/14/383211214.db2.gz ISLUOMGGYPKSNM-IUODEOHRSA-N 2 0 279.428 2.734 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000247246895 383156255 /nfs/dbraw/zinc/15/62/55/383156255.db2.gz DTOGVXHHSFYXOM-OWCLPIDISA-N 2 0 268.445 2.608 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000449082518 383166921 /nfs/dbraw/zinc/16/69/21/383166921.db2.gz NTTSLJGBUGLULW-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CSC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000449082693 383167922 /nfs/dbraw/zinc/16/79/22/383167922.db2.gz PBOAPCMWIGOTEK-RBSFLKMASA-N 2 0 270.486 2.840 20 0 CFADRP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449383569 383252567 /nfs/dbraw/zinc/25/25/67/383252567.db2.gz IIUSMTNYJIBZRU-SQNIBIBYSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000567242315 383255029 /nfs/dbraw/zinc/25/50/29/383255029.db2.gz CWCCPMLXABZOHZ-JQWIXIFHSA-N 2 0 265.426 2.628 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)C1(CC)CC ZINC000567259723 383256637 /nfs/dbraw/zinc/25/66/37/383256637.db2.gz VUJNPHMNXBVMJB-GJZGRUSLSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)O1 ZINC000248580057 383263678 /nfs/dbraw/zinc/26/36/78/383263678.db2.gz RRYLPUUQOWXUJO-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CC1=CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000520625733 383268507 /nfs/dbraw/zinc/26/85/07/383268507.db2.gz ATCXCGGRAJBJRT-HOTGVXAUSA-N 2 0 278.440 2.576 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000423292171 532975946 /nfs/dbraw/zinc/97/59/46/532975946.db2.gz LTWGDBWQCYWWMJ-QMTMVMCOSA-N 2 0 297.446 2.754 20 0 CFADRP CC[C@H](C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339656619 383276360 /nfs/dbraw/zinc/27/63/60/383276360.db2.gz BAYQAYAPRSJPEF-LSVZVQIISA-N 2 0 268.445 2.606 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000567462595 383277350 /nfs/dbraw/zinc/27/73/50/383277350.db2.gz RPLDAUBFHFHLBR-OAHLLOKOSA-N 2 0 250.361 2.791 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000566843726 383216880 /nfs/dbraw/zinc/21/68/80/383216880.db2.gz SQUZWVBPIBQGDU-GJZGRUSLSA-N 2 0 262.397 2.692 20 0 CFADRP Cc1ccc([C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000566915965 383225379 /nfs/dbraw/zinc/22/53/79/383225379.db2.gz RBBRUVNMRWITFM-IRXDYDNUSA-N 2 0 258.409 2.784 20 0 CFADRP CCN1C[C@H]([NH2+]CCCSCC(C)C)[C@@H](C)C1 ZINC000339515864 383227818 /nfs/dbraw/zinc/22/78/18/383227818.db2.gz UNRSJFVQIJEJIC-KBPBESRZSA-N 2 0 258.475 2.696 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CSc3ccccc32)C1 ZINC000449360255 383238259 /nfs/dbraw/zinc/23/82/59/383238259.db2.gz HUSOFRKONYNGET-KCQAQPDRSA-N 2 0 276.449 2.806 20 0 CFADRP CO[C@@H](C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248413446 383238888 /nfs/dbraw/zinc/23/88/88/383238888.db2.gz GDNYZTAUWKNFTP-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1(C)C ZINC000567111485 383242347 /nfs/dbraw/zinc/24/23/47/383242347.db2.gz YFIYYPUVAXAPNB-MRXNPFEDSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000567123489 383244847 /nfs/dbraw/zinc/24/48/47/383244847.db2.gz JFSFTBMKVVKUGU-RRFJBIMHSA-N 2 0 261.413 2.947 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000567893770 383327175 /nfs/dbraw/zinc/32/71/75/383327175.db2.gz WOFLSJQXFQUYIO-OPKDVZQQSA-N 2 0 250.430 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000634732211 383333864 /nfs/dbraw/zinc/33/38/64/383333864.db2.gz AVNJLAHZOIVLQB-HNNXBMFYSA-N 2 0 298.434 2.945 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000249383577 383342855 /nfs/dbraw/zinc/34/28/55/383342855.db2.gz WABLRMGFPXWJRK-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP CC1(C)Cc2cc(C[NH+]3CCC(CC[NH3+])CC3)ccc2O1 ZINC000568006498 383343779 /nfs/dbraw/zinc/34/37/79/383343779.db2.gz GNNCNPUSEYJCSB-UHFFFAOYSA-N 2 0 288.435 2.961 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CO)C3)CC2)C1 ZINC000449426251 383286508 /nfs/dbraw/zinc/28/65/08/383286508.db2.gz KGAJPAIILPPAFD-CIRFHOKZSA-N 2 0 294.483 2.780 20 0 CFADRP C1=CO[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000248752547 383287306 /nfs/dbraw/zinc/28/73/06/383287306.db2.gz CDRUUNQMMZMWLI-HZPDHXFCSA-N 2 0 264.413 2.629 20 0 CFADRP C1=CO[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000248752550 383288884 /nfs/dbraw/zinc/28/88/84/383288884.db2.gz CDRUUNQMMZMWLI-JKSUJKDBSA-N 2 0 264.413 2.629 20 0 CFADRP CC(C)[C@]1(CO)CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000339701815 383291454 /nfs/dbraw/zinc/29/14/54/383291454.db2.gz NCYLGMQFLDCFBZ-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000248831354 383294807 /nfs/dbraw/zinc/29/48/07/383294807.db2.gz HMUHMLXJVSNVEJ-XYTVBORESA-N 2 0 299.462 2.825 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000248832105 383295168 /nfs/dbraw/zinc/29/51/68/383295168.db2.gz FLPLXZOEQIMYPN-ZWKOTPCHSA-N 2 0 286.419 2.791 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000567638500 383296775 /nfs/dbraw/zinc/29/67/75/383296775.db2.gz LAAVOUCCDZYIKG-OAHLLOKOSA-N 2 0 250.361 2.866 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000459781749 383297758 /nfs/dbraw/zinc/29/77/58/383297758.db2.gz MIAOOTJZCQWRPC-NFOMZHRRSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459796058 383297943 /nfs/dbraw/zinc/29/79/43/383297943.db2.gz VZRWKTTWSZUOPS-OWCLPIDISA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000248852401 383298793 /nfs/dbraw/zinc/29/87/93/383298793.db2.gz BQDLDQLNPOSTQA-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000567677315 383300440 /nfs/dbraw/zinc/30/04/40/383300440.db2.gz PVRVNGFGKKAWLA-UHFFFAOYSA-N 2 0 290.451 2.922 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000567681517 383301931 /nfs/dbraw/zinc/30/19/31/383301931.db2.gz ULJIQFRHUMWYQJ-SJORKVTESA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634680169 383309850 /nfs/dbraw/zinc/30/98/50/383309850.db2.gz MYNNOJZHDYISNT-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634680371 383309930 /nfs/dbraw/zinc/30/99/30/383309930.db2.gz QSEZHCKMZJQTEB-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC12CCCC2 ZINC000248953581 383310640 /nfs/dbraw/zinc/31/06/40/383310640.db2.gz AEDQGBWHSSEXNN-HOTGVXAUSA-N 2 0 280.456 2.536 20 0 CFADRP O[C@@H](CC1CCCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248964806 383312066 /nfs/dbraw/zinc/31/20/66/383312066.db2.gz BNLJZIVFMKBCCZ-ROUUACIJSA-N 2 0 294.483 2.735 20 0 CFADRP C[C@@H](CC[NH2+][C@H]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000634683363 383312827 /nfs/dbraw/zinc/31/28/27/383312827.db2.gz PTXCIFGWBVAZHI-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248997031 383315412 /nfs/dbraw/zinc/31/54/12/383315412.db2.gz PGEYVEAEIZUWFT-VUCRHFMTSA-N 2 0 293.499 2.569 20 0 CFADRP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000634685361 383316462 /nfs/dbraw/zinc/31/64/62/383316462.db2.gz MMBCYAJROCISHU-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000449475514 383317587 /nfs/dbraw/zinc/31/75/87/383317587.db2.gz FRCVQEODSZVBIC-JYJNAYRXSA-N 2 0 280.456 2.656 20 0 CFADRP CO[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000249030744 383318212 /nfs/dbraw/zinc/31/82/12/383318212.db2.gz BESWWOKXEBEMBQ-NRSFXHEJSA-N 2 0 288.435 2.522 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)C1CCCCC1 ZINC000249034640 383319025 /nfs/dbraw/zinc/31/90/25/383319025.db2.gz FWDVVXBQXDDCLH-DLBZAZTESA-N 2 0 282.472 2.734 20 0 CFADRP Cc1cc(Cl)cc(C)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000339791676 383319685 /nfs/dbraw/zinc/31/96/85/383319685.db2.gz CRTQXRKDHZMCJE-UHFFFAOYSA-N 2 0 296.842 2.503 20 0 CFADRP c1cnc2cccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)c2c1 ZINC000634688219 383320029 /nfs/dbraw/zinc/32/00/29/383320029.db2.gz LZDKNMGPVQCVFO-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2ncccc12 ZINC000634688579 383320165 /nfs/dbraw/zinc/32/01/65/383320165.db2.gz WYIBTKLMPJRXOF-JSGCOSHPSA-N 2 0 255.365 2.546 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C[C@@H]1C[NH3+] ZINC000634688063 383320192 /nfs/dbraw/zinc/32/01/92/383320192.db2.gz GYPVDKBFYCUWBD-HIFRSBDPSA-N 2 0 269.392 2.652 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc2ncccc12 ZINC000634688167 383320411 /nfs/dbraw/zinc/32/04/11/383320411.db2.gz KAGDSFBGBSFHJL-INIZCTEOSA-N 2 0 269.392 2.713 20 0 CFADRP CCOc1c(Cl)cccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000567871197 383324428 /nfs/dbraw/zinc/32/44/28/383324428.db2.gz YWIDGEVMJMZASD-GHMZBOCLSA-N 2 0 270.804 2.954 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)[C@H]2CCCC[C@@H]12 ZINC000567872342 383325043 /nfs/dbraw/zinc/32/50/43/383325043.db2.gz SSKFTKNPJJESPN-FXUDXRNXSA-N 2 0 250.430 2.887 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000340242030 383389017 /nfs/dbraw/zinc/38/90/17/383389017.db2.gz WTYRXLHLRZZDHT-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+](C)C)C1(C)C ZINC000425951125 383393634 /nfs/dbraw/zinc/39/36/34/383393634.db2.gz LXFLIFNUYCCGLZ-SOUVJXGZSA-N 2 0 270.461 2.758 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000525195403 383397536 /nfs/dbraw/zinc/39/75/36/383397536.db2.gz MQHFCKHBTJLRGQ-UHFFFAOYSA-N 2 0 286.423 2.775 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000525833104 383406232 /nfs/dbraw/zinc/40/62/32/383406232.db2.gz PRDBRCKBBOKMPE-DLBZAZTESA-N 2 0 273.424 2.997 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCc2ccccn2)CC1 ZINC000524156091 383367066 /nfs/dbraw/zinc/36/70/66/383367066.db2.gz IOHMZSOGOKMTCB-UHFFFAOYSA-N 2 0 275.440 2.676 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000568181505 383369465 /nfs/dbraw/zinc/36/94/65/383369465.db2.gz VDRZAQFVCLWXHQ-SJORKVTESA-N 2 0 290.451 2.567 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340185180 383373359 /nfs/dbraw/zinc/37/33/59/383373359.db2.gz IKDDUVBTFLVLKH-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)CCc1ccccc1 ZINC000469996044 383374142 /nfs/dbraw/zinc/37/41/42/383374142.db2.gz IIIOYTGYLFQKQG-WBVHZDCISA-N 2 0 260.425 2.939 20 0 CFADRP C[NH2+]C1CC[NH+](C[C@H](C)CCc2ccccc2)CC1 ZINC000469998248 383374984 /nfs/dbraw/zinc/37/49/84/383374984.db2.gz FDEUUKIGNQUEOE-OAHLLOKOSA-N 2 0 260.425 2.939 20 0 CFADRP Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000568247100 383381899 /nfs/dbraw/zinc/38/18/99/383381899.db2.gz BRCLAANRSTZLBA-IPYPFGDCSA-N 2 0 260.381 2.596 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251036576 383384386 /nfs/dbraw/zinc/38/43/86/383384386.db2.gz BLRILDUIRYLUDD-KCPJHIHWSA-N 2 0 250.361 2.946 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340227742 383384876 /nfs/dbraw/zinc/38/48/76/383384876.db2.gz CXLPQSOLVJCQFW-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000251138922 383385365 /nfs/dbraw/zinc/38/53/65/383385365.db2.gz VZFNARHWBBHASO-XMTFNYHQSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000568276745 383387206 /nfs/dbraw/zinc/38/72/06/383387206.db2.gz OYHQTGBZKOEQBS-INIZCTEOSA-N 2 0 295.515 2.959 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCC12CCCC2 ZINC000340237713 383388054 /nfs/dbraw/zinc/38/80/54/383388054.db2.gz DLXSBFNIJKNPRD-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H](CCn1cccn1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000340473903 383433039 /nfs/dbraw/zinc/43/30/39/383433039.db2.gz FDIMUMQVKCZEDB-INIZCTEOSA-N 2 0 278.444 2.517 20 0 CFADRP CC(C)OC1CC([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000428240854 383433416 /nfs/dbraw/zinc/43/34/16/383433416.db2.gz PZJQCIJXCVSEIA-RYTJFDOTSA-N 2 0 282.472 2.900 20 0 CFADRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CCOC1 ZINC000340475700 383434459 /nfs/dbraw/zinc/43/44/59/383434459.db2.gz NBKONRLDQYXLML-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252845584 383437712 /nfs/dbraw/zinc/43/77/12/383437712.db2.gz FDHSSOQENBPRFB-CWRNSKLLSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000252893145 383438611 /nfs/dbraw/zinc/43/86/11/383438611.db2.gz POKTWWVBUGHBHA-XJKSGUPXSA-N 2 0 269.392 2.665 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000252888645 383438747 /nfs/dbraw/zinc/43/87/47/383438747.db2.gz BHMIRVALRCTQIT-CZUORRHYSA-N 2 0 269.392 2.665 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000252890644 383439055 /nfs/dbraw/zinc/43/90/55/383439055.db2.gz IHYKCYRWNDQQOC-UKRRQHHQSA-N 2 0 292.423 2.524 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000568835339 383440312 /nfs/dbraw/zinc/44/03/12/383440312.db2.gz CNZWFDFCOFOAPW-MRXNPFEDSA-N 2 0 296.842 2.885 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634983972 383442632 /nfs/dbraw/zinc/44/26/32/383442632.db2.gz DCDTWUNRHZGKBP-LBPRGKRZSA-N 2 0 291.370 2.788 20 0 CFADRP C[C@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000253178601 383446513 /nfs/dbraw/zinc/44/65/13/383446513.db2.gz BZUGKTKPKYDQCB-UONOGXRCSA-N 2 0 280.387 2.511 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000340514153 383450572 /nfs/dbraw/zinc/45/05/72/383450572.db2.gz HJIKGECPGYHRMT-ARFHVFGLSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccncc1F ZINC000340514663 383450984 /nfs/dbraw/zinc/45/09/84/383450984.db2.gz KOKKJCZWBQUHTF-GFCCVEGCSA-N 2 0 265.376 2.603 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1C[NH3+] ZINC000634999167 383454906 /nfs/dbraw/zinc/45/49/06/383454906.db2.gz QVAWKAWAEYFGGL-ZYHUDNBSSA-N 2 0 262.328 2.599 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cnn1C(C)(C)C ZINC000568974435 383455082 /nfs/dbraw/zinc/45/50/82/383455082.db2.gz SNPQYHIDNOJMIY-GFCCVEGCSA-N 2 0 278.444 2.597 20 0 CFADRP CC(C)[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000634999062 383455647 /nfs/dbraw/zinc/45/56/47/383455647.db2.gz PHVLEMGQSIMUGC-OIISXLGYSA-N 2 0 260.425 2.953 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@H](CF)c2ccc(F)cc2)CC[NH2+]1 ZINC000635002771 383458167 /nfs/dbraw/zinc/45/81/67/383458167.db2.gz ZGFSCZFGHATDSJ-TYNCELHUSA-N 2 0 268.351 2.814 20 0 CFADRP COC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)c(F)c1 ZINC000635003752 383459791 /nfs/dbraw/zinc/45/97/91/383459791.db2.gz FICNSDARVLOCEE-RBOXIYTFSA-N 2 0 298.377 2.759 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cs1 ZINC000635005075 383460626 /nfs/dbraw/zinc/46/06/26/383460626.db2.gz LUHYTRMMJFGCPO-DLOVCJGASA-N 2 0 253.415 2.620 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000635004772 383460846 /nfs/dbraw/zinc/46/08/46/383460846.db2.gz FGUJXZFRGHCMTB-PJODQICGSA-N 2 0 262.372 2.920 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000635005752 383462048 /nfs/dbraw/zinc/46/20/48/383462048.db2.gz JVXITOLSUQIZIV-IXDOHACOSA-N 2 0 290.451 2.740 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000635007300 383463219 /nfs/dbraw/zinc/46/32/19/383463219.db2.gz ATVJYZGMOQXMQC-LTIDMASMSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CC1(C)C ZINC000635006316 383463407 /nfs/dbraw/zinc/46/34/07/383463407.db2.gz LMKXZAOVCCKGSC-IMJJTQAJSA-N 2 0 260.425 2.971 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C12CCCC2 ZINC000635008072 383464045 /nfs/dbraw/zinc/46/40/45/383464045.db2.gz YXZXOLVPDHLGCM-KLHDSHLOSA-N 2 0 280.456 2.831 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000635007478 383464447 /nfs/dbraw/zinc/46/44/47/383464447.db2.gz QKRHNPVHTUHJLV-OBJOEFQTSA-N 2 0 279.453 2.936 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@H]2CCCO[C@H]21 ZINC000635009463 383465674 /nfs/dbraw/zinc/46/56/74/383465674.db2.gz HBNFODQTRKFOKQ-GBJTYRQASA-N 2 0 280.456 2.558 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1(C)C ZINC000635009722 383466253 /nfs/dbraw/zinc/46/62/53/383466253.db2.gz HSZISBZJWBKUQD-MELADBBJSA-N 2 0 268.445 2.558 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635010370 383466721 /nfs/dbraw/zinc/46/67/21/383466721.db2.gz ZJZZDHAWBIYZFJ-DLBZAZTESA-N 2 0 278.440 2.597 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635010606 383466788 /nfs/dbraw/zinc/46/67/88/383466788.db2.gz ASNNGIVGAUXLAE-DOMZBBRYSA-N 2 0 257.381 2.775 20 0 CFADRP CCCC[C@@H](COC)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635011534 383467292 /nfs/dbraw/zinc/46/72/92/383467292.db2.gz QAQWOXCCDKURJT-INIZCTEOSA-N 2 0 276.424 2.627 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc21 ZINC000635011570 383468068 /nfs/dbraw/zinc/46/80/68/383468068.db2.gz QWYXGQUIUPHUIA-MOPGFXCFSA-N 2 0 293.414 2.567 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1O ZINC000635012323 383468304 /nfs/dbraw/zinc/46/83/04/383468304.db2.gz SMGDDKPSGUNVNG-TZMCWYRMSA-N 2 0 292.423 2.830 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000635011751 383468598 /nfs/dbraw/zinc/46/85/98/383468598.db2.gz GTMNVCMACLGRSE-YYIAUSFCSA-N 2 0 292.467 2.704 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635013700 383469433 /nfs/dbraw/zinc/46/94/33/383469433.db2.gz HGYWVBGYKURRRN-FVQBIDKESA-N 2 0 296.842 2.666 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc2c(c1)OCO2 ZINC000635013262 383469755 /nfs/dbraw/zinc/46/97/55/383469755.db2.gz XLMZTGZJGLMMDJ-OCCSQVGLSA-N 2 0 290.407 2.844 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc2cccnc2c1)[C@H]1CCC[NH2+]C1 ZINC000635015474 383471753 /nfs/dbraw/zinc/47/17/53/383471753.db2.gz BJHGQTAATGPUNY-CJNGLKHVSA-N 2 0 269.392 2.713 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000428476877 383483228 /nfs/dbraw/zinc/48/32/28/383483228.db2.gz YVFKXRAHHIYGRL-UHFFFAOYSA-N 2 0 290.455 2.729 20 0 CFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000450593604 383473109 /nfs/dbraw/zinc/47/31/09/383473109.db2.gz BJSZXKOGPXIHBG-KZNAEPCWSA-N 2 0 294.483 2.998 20 0 CFADRP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000635021920 383473657 /nfs/dbraw/zinc/47/36/57/383473657.db2.gz PWJVPOIVVCJPOJ-HRCADAONSA-N 2 0 285.435 2.802 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635021966 383474185 /nfs/dbraw/zinc/47/41/85/383474185.db2.gz QKXWRXYLZBRAFM-HOTGVXAUSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1C ZINC000635024441 383474745 /nfs/dbraw/zinc/47/47/45/383474745.db2.gz XZYINJVOHNJXER-QMTHXVAHSA-N 2 0 252.427 2.843 20 0 CFADRP CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635024289 383474793 /nfs/dbraw/zinc/47/47/93/383474793.db2.gz VXCXJPOUNWUYIF-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CC1(C)C ZINC000486934985 383476042 /nfs/dbraw/zinc/47/60/42/383476042.db2.gz HUFOMZHMVQHBHM-FPCVCCKLSA-N 2 0 282.472 2.900 20 0 CFADRP C[NH+](C)C[C@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000255111187 383476527 /nfs/dbraw/zinc/47/65/27/383476527.db2.gz ULRHGHQQCKFHAW-ABCZVMIZSA-N 2 0 262.372 2.722 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC1(C)C ZINC000487270055 383478313 /nfs/dbraw/zinc/47/83/13/383478313.db2.gz OZJHEPGSDRUMAE-SVGFKBNWSA-N 2 0 294.483 2.779 20 0 CFADRP CC[C@@H](COC)[NH2+]C[C@H](C(C)C)N1CCCCCC1 ZINC000480536020 383418107 /nfs/dbraw/zinc/41/81/07/383418107.db2.gz MKVXATKBCZGYHG-JKSUJKDBSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000488468769 383547557 /nfs/dbraw/zinc/54/75/57/383547557.db2.gz SQVGBCDDXKYUHK-YPMHNXCESA-N 2 0 250.361 2.633 20 0 CFADRP CC[C@@H](C)c1nnc([C@H](C)NC2CC[NH+](C(C)C)CC2)[nH]1 ZINC000488470021 383548091 /nfs/dbraw/zinc/54/80/91/383548091.db2.gz ZZBXGYQXJZRJGJ-OLZOCXBDSA-N 2 0 293.459 2.842 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000569352038 383491711 /nfs/dbraw/zinc/49/17/11/383491711.db2.gz TXISSDORCLCFQE-ZFWWWQNUSA-N 2 0 290.407 2.738 20 0 CFADRP C[C@@]1(C[NH+]2CCC(N3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000261729424 383550133 /nfs/dbraw/zinc/55/01/33/383550133.db2.gz HCIFUPBXXZPZQS-LJQANCHMSA-N 2 0 299.462 2.513 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1F ZINC000258652143 383499124 /nfs/dbraw/zinc/49/91/24/383499124.db2.gz AUBLXRVZDUOJFJ-UHFFFAOYSA-N 2 0 268.376 2.641 20 0 CFADRP C[N@H+](CCc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000259014460 383501361 /nfs/dbraw/zinc/50/13/61/383501361.db2.gz NIWUUZFSBIFVLS-CQSZACIVSA-N 2 0 266.816 2.814 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000528384064 383511318 /nfs/dbraw/zinc/51/13/18/383511318.db2.gz UZCZUZBPSUPEFV-KRWDZBQOSA-N 2 0 293.499 2.525 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CSC)C1 ZINC000429288369 383511517 /nfs/dbraw/zinc/51/15/17/383511517.db2.gz AHKPDUQPLPUMGC-AWEZNQCLSA-N 2 0 258.475 2.793 20 0 CFADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC000528390330 383515003 /nfs/dbraw/zinc/51/50/03/383515003.db2.gz PAVJWBVQKMPVCM-KRWDZBQOSA-N 2 0 293.499 2.523 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261570191 383515501 /nfs/dbraw/zinc/51/55/01/383515501.db2.gz KENHYEDEGQDIPR-KBUPBQIOSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000261576174 383517736 /nfs/dbraw/zinc/51/77/36/383517736.db2.gz BZDMVAZVYLYFEV-ZWNOBZJWSA-N 2 0 272.314 2.793 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000569654093 383521770 /nfs/dbraw/zinc/52/17/70/383521770.db2.gz XSGUYXJXPZRZHE-RANZSIQMSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000261590974 383523037 /nfs/dbraw/zinc/52/30/37/383523037.db2.gz UYAASEQTTGXLRC-GXFFZTMASA-N 2 0 283.213 2.537 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000488342978 383523625 /nfs/dbraw/zinc/52/36/25/383523625.db2.gz FCHXBFUDPJZLRA-NVXWUHKLSA-N 2 0 282.472 2.713 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569694572 383528115 /nfs/dbraw/zinc/52/81/15/383528115.db2.gz ZVDCZXJVGVMSBU-GOSISDBHSA-N 2 0 288.435 2.703 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000261619921 383531095 /nfs/dbraw/zinc/53/10/95/383531095.db2.gz CUYWHMUBUYHAMG-OLZOCXBDSA-N 2 0 272.314 2.613 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261621468 383531440 /nfs/dbraw/zinc/53/14/40/383531440.db2.gz ABFGFKCSJCHYNR-BZUAXINKSA-N 2 0 282.472 2.950 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC2(OC)CCC2)C1 ZINC000429446431 383531492 /nfs/dbraw/zinc/53/14/92/383531492.db2.gz JJIAJNNCLNDKHB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(N)c2)C[C@H]1C ZINC000261648008 383535284 /nfs/dbraw/zinc/53/52/84/383535284.db2.gz HHCZPJYYNGQKKA-CJNGLKHVSA-N 2 0 261.413 2.573 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC2(OC)CCC2)C1 ZINC000429508768 383537905 /nfs/dbraw/zinc/53/79/05/383537905.db2.gz CUSDXZRDJDZOFJ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP Fc1cccc([C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000261654293 383538566 /nfs/dbraw/zinc/53/85/66/383538566.db2.gz BGVRFAQIPMRJPP-ZFWWWQNUSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000569810141 383539306 /nfs/dbraw/zinc/53/93/06/383539306.db2.gz GNNIOBRCYHMXJV-GFCCVEGCSA-N 2 0 260.406 2.928 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261695527 383543381 /nfs/dbraw/zinc/54/33/81/383543381.db2.gz BWOBEQFOYOOSTK-DLBZAZTESA-N 2 0 258.409 2.551 20 0 CFADRP CCCOc1ccc2c(c1)CCN(C[C@]1(C)CC[NH2+]C1)C2 ZINC000261903982 383577658 /nfs/dbraw/zinc/57/76/58/383577658.db2.gz WQYHWGRYULNVTN-GOSISDBHSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@H](c1cccnc1)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261916554 383578883 /nfs/dbraw/zinc/57/88/83/383578883.db2.gz ICCCCHFCHNWYJF-XOKHGSTOSA-N 2 0 267.376 2.569 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000261920380 383580566 /nfs/dbraw/zinc/58/05/66/383580566.db2.gz KIJWZBHYBRPHNR-DTWKUNHWSA-N 2 0 278.343 2.936 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261935261 383583088 /nfs/dbraw/zinc/58/30/88/383583088.db2.gz DDGWYFOUVSLUII-HOCLYGCPSA-N 2 0 262.372 2.615 20 0 CFADRP Cc1nc2ccc(CN3CC[C@@H]([NH3+])[C@H](C)C3)cc2s1 ZINC000261951866 383585997 /nfs/dbraw/zinc/58/59/97/383585997.db2.gz OAIINUUAJMSTRZ-ZWNOBZJWSA-N 2 0 275.421 2.774 20 0 CFADRP CN(c1ccccc1)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261979010 383590054 /nfs/dbraw/zinc/59/00/54/383590054.db2.gz IZRFZXGKPOPLCD-GOSISDBHSA-N 2 0 287.451 2.587 20 0 CFADRP C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000261984150 383590323 /nfs/dbraw/zinc/59/03/23/383590323.db2.gz JMYDYNQTIKWRHC-QZTJIDSGSA-N 2 0 287.451 2.587 20 0 CFADRP C[C@@]1(C[N@H+](CCC(F)(F)F)CC2CC2)CC[NH2+]C1 ZINC000262010794 383593473 /nfs/dbraw/zinc/59/34/73/383593473.db2.gz MFPXXCRXSSKURK-GFCCVEGCSA-N 2 0 264.335 2.650 20 0 CFADRP CC(C)COc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000262017603 383595038 /nfs/dbraw/zinc/59/50/38/383595038.db2.gz MWCBEDUNNMBMMA-CZUORRHYSA-N 2 0 262.397 2.500 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000262034423 383597342 /nfs/dbraw/zinc/59/73/42/383597342.db2.gz OKAUAMOKSJWUMW-DLBZAZTESA-N 2 0 276.399 2.832 20 0 CFADRP CCCn1c2ccccc2nc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262042135 383598211 /nfs/dbraw/zinc/59/82/11/383598211.db2.gz PGSHKCKAMZUXNK-GOSISDBHSA-N 2 0 298.434 2.632 20 0 CFADRP Cc1ccc([C@@]2(C)CC[N@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000262050248 383599273 /nfs/dbraw/zinc/59/92/73/383599273.db2.gz ZLVMFXBUWIWIDB-SFHVURJKSA-N 2 0 272.436 2.958 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]C1 ZINC000262072474 383602445 /nfs/dbraw/zinc/60/24/45/383602445.db2.gz SDYPBHOUMWXFEU-CVEARBPZSA-N 2 0 262.372 2.962 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000430929550 383612784 /nfs/dbraw/zinc/61/27/84/383612784.db2.gz PCFFEPXVVUQHTB-LLVKDONJSA-N 2 0 291.420 2.962 20 0 CFADRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262135598 383608603 /nfs/dbraw/zinc/60/86/03/383608603.db2.gz DJWARYBEKQWCTK-KRWDZBQOSA-N 2 0 298.434 2.710 20 0 CFADRP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](c1ccccc1)[NH+](C)C ZINC000569942089 383554384 /nfs/dbraw/zinc/55/43/84/383554384.db2.gz WFVMRIZOOYXBLC-QMCVQRASSA-N 2 0 275.440 2.537 20 0 CFADRP Cc1ccccc1C[C@H](C)[N@H+](C)CCn1ccnc1 ZINC000570515054 383610160 /nfs/dbraw/zinc/61/01/60/383610160.db2.gz ZXAYBIBBLCFTQT-HNNXBMFYSA-N 2 0 257.381 2.755 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000261758877 383554534 /nfs/dbraw/zinc/55/45/34/383554534.db2.gz CTRQEVCDHGXXIB-STQMWFEESA-N 2 0 266.816 2.985 20 0 CFADRP C[C@]1(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)CC[NH2+]C1 ZINC000261765740 383554913 /nfs/dbraw/zinc/55/49/13/383554913.db2.gz LYLLMNMQEYJPEO-SJORKVTESA-N 2 0 273.424 2.998 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261805763 383564297 /nfs/dbraw/zinc/56/42/97/383564297.db2.gz HIQPIKUFIHEMPZ-CZUORRHYSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@]1(c2ccccc2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261831614 383566857 /nfs/dbraw/zinc/56/68/57/383566857.db2.gz JCZRJCHYZAESRR-WBVHZDCISA-N 2 0 258.409 2.650 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261827639 383567359 /nfs/dbraw/zinc/56/73/59/383567359.db2.gz UMXNIOUNSQJUOB-UONOGXRCSA-N 2 0 270.376 2.783 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1cccc(Cl)c1 ZINC000570054909 383567790 /nfs/dbraw/zinc/56/77/90/383567790.db2.gz DLSSJUPIFRXUQM-OCCSQVGLSA-N 2 0 282.815 2.921 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000261853378 383570393 /nfs/dbraw/zinc/57/03/93/383570393.db2.gz RRZWQNBSMHZETL-MRXNPFEDSA-N 2 0 287.432 2.981 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2CCCC2)c1 ZINC000570836042 383640969 /nfs/dbraw/zinc/64/09/69/383640969.db2.gz AUQLFMBVAXDFKT-SFHVURJKSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430974354 383618099 /nfs/dbraw/zinc/61/80/99/383618099.db2.gz YWXIHJLWQHZZAO-IUODEOHRSA-N 2 0 266.816 2.942 20 0 CFADRP CSc1ccc([C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC000423144207 533006519 /nfs/dbraw/zinc/00/65/19/533006519.db2.gz GHVARABFTPZILU-XEZPLFJOSA-N 2 0 295.496 2.727 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ncc(CSC)s2)CC1 ZINC000572375937 383777793 /nfs/dbraw/zinc/77/77/93/383777793.db2.gz JIGCHMNJMJZUKM-UHFFFAOYSA-N 2 0 299.509 2.828 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000571106078 383665849 /nfs/dbraw/zinc/66/58/49/383665849.db2.gz WCWFOTDPNHVQHA-SOUVJXGZSA-N 2 0 279.428 2.522 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000645949206 383802738 /nfs/dbraw/zinc/80/27/38/383802738.db2.gz UJUPLEUMADHJDZ-DLBZAZTESA-N 2 0 280.456 2.753 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000453215747 383804283 /nfs/dbraw/zinc/80/42/83/383804283.db2.gz GSTKISWPDMEIRX-YCPHGPKFSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000453217494 383805750 /nfs/dbraw/zinc/80/57/50/383805750.db2.gz OZQWETZIBBHFRY-HNNXBMFYSA-N 2 0 283.504 2.817 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000453236232 383811687 /nfs/dbraw/zinc/81/16/87/383811687.db2.gz MVYKMRZXSXTLJB-ULQDDVLXSA-N 2 0 280.456 2.656 20 0 CFADRP COCCC1(C[NH2+]CC2=CC[N@H+](C)CC2)CCCCC1 ZINC000436416402 383814813 /nfs/dbraw/zinc/81/48/13/383814813.db2.gz SGIRCYYKCQGXJC-UHFFFAOYSA-N 2 0 280.456 2.825 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CCc1cccnc1 ZINC000640533863 383819342 /nfs/dbraw/zinc/81/93/42/383819342.db2.gz XRBQTEGDCMGMCR-UHFFFAOYSA-N 2 0 275.440 2.822 20 0 CFADRP COc1ccc(OCCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422905287 533011111 /nfs/dbraw/zinc/01/11/11/533011111.db2.gz YYWKJNCFXKOJRJ-YOEHRIQHSA-N 2 0 292.423 2.571 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000453138349 383781010 /nfs/dbraw/zinc/78/10/10/383781010.db2.gz QOSLYZSAFVCSDH-MRXNPFEDSA-N 2 0 283.504 2.817 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436271330 383796555 /nfs/dbraw/zinc/79/65/55/383796555.db2.gz CTVQGYHCBBMCRG-UHFFFAOYSA-N 2 0 263.360 2.738 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000436283741 383799383 /nfs/dbraw/zinc/79/93/83/383799383.db2.gz KQEDWLKQZIMQKE-SPUZQDLCSA-N 2 0 272.436 2.938 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436296873 383801624 /nfs/dbraw/zinc/80/16/24/383801624.db2.gz VUJZTLIBAZESDY-HYVNUMGLSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000453386999 383849426 /nfs/dbraw/zinc/84/94/26/383849426.db2.gz AQIZOYXZBZMVGD-BRWVUGGUSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000453590190 383862739 /nfs/dbraw/zinc/86/27/39/383862739.db2.gz AYFDUQAHPRTXNP-UKRRQHHQSA-N 2 0 270.486 2.981 20 0 CFADRP Cc1ccc(C)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103189 383871630 /nfs/dbraw/zinc/87/16/30/383871630.db2.gz IDLTWIQYNLJVOG-UHFFFAOYSA-N 2 0 288.435 2.600 20 0 CFADRP C[NH+]1CCC2(CC1)C[N@H+](CCC1CCCCC1)CCO2 ZINC000646106076 383874428 /nfs/dbraw/zinc/87/44/28/383874428.db2.gz HSVFKJORBXWAKZ-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3CCC[C@@H]3O)CC2)C1 ZINC000453635931 383895377 /nfs/dbraw/zinc/89/53/77/383895377.db2.gz VXQOMFITAXKRKW-MVJTYMMSSA-N 2 0 294.483 2.780 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CC1CCCCC1 ZINC000423086895 533020772 /nfs/dbraw/zinc/02/07/72/533020772.db2.gz MWCMDOHZCFNMPL-HIFRSBDPSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532194168 383990556 /nfs/dbraw/zinc/99/05/56/383990556.db2.gz OTAACOBUORWTRS-STQMWFEESA-N 2 0 298.390 2.507 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000532214641 383993216 /nfs/dbraw/zinc/99/32/16/383993216.db2.gz OXYKIAKNZGYJNV-DVOMOZLQSA-N 2 0 264.388 2.859 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(F)cc1 ZINC000532214643 383993626 /nfs/dbraw/zinc/99/36/26/383993626.db2.gz OXYKIAKNZGYJNV-WWGRRREGSA-N 2 0 264.388 2.859 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)C1CCOCC1 ZINC000532225285 383996477 /nfs/dbraw/zinc/99/64/77/383996477.db2.gz KJDUXBVDBKEHKQ-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP CCCN(CC)CC[NH2+][C@H](CC)C1CCOCC1 ZINC000531994014 383956386 /nfs/dbraw/zinc/95/63/86/383956386.db2.gz BTRMAMQEEKOFQC-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000573595931 383958583 /nfs/dbraw/zinc/95/85/83/383958583.db2.gz NMILJXHSFMELEY-UHFFFAOYSA-N 2 0 290.451 2.923 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000574031776 384032523 /nfs/dbraw/zinc/03/25/23/384032523.db2.gz ZQMIDTMXSNUGMX-ARFHVFGLSA-N 2 0 262.397 2.641 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532504261 384038895 /nfs/dbraw/zinc/03/88/95/384038895.db2.gz XUUDRDZHJLVGPF-INMHGKMJSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cccn2)cc1 ZINC000532506133 384039385 /nfs/dbraw/zinc/03/93/85/384039385.db2.gz WYGSBDZANZBQBA-JKSUJKDBSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000574269565 384069435 /nfs/dbraw/zinc/06/94/35/384069435.db2.gz BVRJELCBWCEDQB-GFCCVEGCSA-N 2 0 295.386 2.604 20 0 CFADRP CCC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000574499439 384106028 /nfs/dbraw/zinc/10/60/28/384106028.db2.gz ZMXOTKJHDDTLLF-UHFFFAOYSA-N 2 0 280.456 2.657 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000574927534 384166963 /nfs/dbraw/zinc/16/69/63/384166963.db2.gz MQHOMAPGJBQMPN-HWMZRRJGSA-N 2 0 274.408 2.658 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2cccnc2)C1 ZINC000266874647 384249871 /nfs/dbraw/zinc/24/98/71/384249871.db2.gz SBOIOXFZWTVMIG-CABCVRRESA-N 2 0 261.413 2.806 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641707297 384277551 /nfs/dbraw/zinc/27/75/51/384277551.db2.gz IQVTTWWZAXBBGN-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP CO[C@@](C)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000637905287 384265580 /nfs/dbraw/zinc/26/55/80/384265580.db2.gz KNNGNSXBVAQJBR-KRWDZBQOSA-N 2 0 280.456 2.609 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637905940 384266710 /nfs/dbraw/zinc/26/67/10/384266710.db2.gz PDNZOCXLUVHVOE-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CCC[C@H](C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)OC ZINC000637957231 384306921 /nfs/dbraw/zinc/30/69/21/384306921.db2.gz DIEAXEHQHNVNJW-MRXNPFEDSA-N 2 0 270.461 2.854 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@](C)(CC)OC)CC1 ZINC000637955855 384307529 /nfs/dbraw/zinc/30/75/29/384307529.db2.gz NTLKSROGRZCNHS-HNNXBMFYSA-N 2 0 256.434 2.608 20 0 CFADRP CO[C@@](C)(C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C1CC1 ZINC000637956876 384307901 /nfs/dbraw/zinc/30/79/01/384307901.db2.gz BKMKENVLZWGIES-KRWDZBQOSA-N 2 0 282.472 2.854 20 0 CFADRP COc1cncc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000637965495 384313399 /nfs/dbraw/zinc/31/33/99/384313399.db2.gz SJWFKWRSAYHAQT-UHFFFAOYSA-N 2 0 291.439 2.562 20 0 CFADRP c1c[nH]c(C2CCN(c3ccnc4ccncc43)CC2)n1 ZINC000267183530 384316094 /nfs/dbraw/zinc/31/60/94/384316094.db2.gz FZKDIRYRCRPNOM-UHFFFAOYSA-N 2 0 279.347 2.737 20 0 CFADRP CSc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000641707206 384278538 /nfs/dbraw/zinc/27/85/38/384278538.db2.gz CAPKATBLICTSPX-RYUDHWBXSA-N 2 0 266.410 2.718 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000641707786 384279253 /nfs/dbraw/zinc/27/92/53/384279253.db2.gz KKSMWUIHTMPDPN-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641708378 384280392 /nfs/dbraw/zinc/28/03/92/384280392.db2.gz YVDAUBKBWDNQEA-ZWKOTPCHSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000641720874 384293083 /nfs/dbraw/zinc/29/30/83/384293083.db2.gz VNCKUJLXTFNMHH-BRWVUGGUSA-N 2 0 282.472 2.782 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641799250 384365441 /nfs/dbraw/zinc/36/54/41/384365441.db2.gz PINTVZGXIGDYDH-GFCCVEGCSA-N 2 0 275.421 2.857 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000641799805 384366481 /nfs/dbraw/zinc/36/64/81/384366481.db2.gz ZSRWACLCBHOXAS-DOMZBBRYSA-N 2 0 285.391 2.819 20 0 CFADRP CCc1nc(C)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000641800590 384367154 /nfs/dbraw/zinc/36/71/54/384367154.db2.gz ZIGJKELYGDLIPL-GFCCVEGCSA-N 2 0 277.412 2.509 20 0 CFADRP C([C@@H]1CCC2(CCCC2)O1)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800975 384368407 /nfs/dbraw/zinc/36/84/07/384368407.db2.gz KASMXOJDWQCTRA-PMPSAXMXSA-N 2 0 278.440 2.552 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCSc1ccc(F)cc1F ZINC000641801614 384368887 /nfs/dbraw/zinc/36/88/87/384368887.db2.gz TYYBZJHPMQEUPP-CHWSQXEVSA-N 2 0 286.391 2.772 20 0 CFADRP Cc1nc(C(C)C)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802199 384370880 /nfs/dbraw/zinc/37/08/80/384370880.db2.gz ZKCBGTRNGDBBCR-CABCVRRESA-N 2 0 261.413 2.729 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3nccnc3c2)C[C@H]1C ZINC000638110194 384422228 /nfs/dbraw/zinc/42/22/28/384422228.db2.gz JNROCNNWLUENSM-GDBMZVCRSA-N 2 0 298.434 2.934 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@](C)(OC)C2CC2)C[C@@H]1C ZINC000638110706 384423793 /nfs/dbraw/zinc/42/37/93/384423793.db2.gz OVOXMBBFJFSNSD-BPUTZDHNSA-N 2 0 268.445 2.606 20 0 CFADRP CC[C@H](C)[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)OC ZINC000638111465 384424612 /nfs/dbraw/zinc/42/46/12/384424612.db2.gz FJGGIFPOHSEYPC-FZKCQIBNSA-N 2 0 270.461 2.710 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000641821588 384381113 /nfs/dbraw/zinc/38/11/13/384381113.db2.gz MFQSEASMRYBCKQ-HNNXBMFYSA-N 2 0 291.439 2.757 20 0 CFADRP Cc1nccn1CCCNc1ccncc1Cl ZINC000267405853 384381901 /nfs/dbraw/zinc/38/19/01/384381901.db2.gz QRKOWLQYUQBWBA-UHFFFAOYSA-N 2 0 250.733 2.742 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCSCC2)[C@@H](C)C1 ZINC000638115701 384429014 /nfs/dbraw/zinc/42/90/14/384429014.db2.gz VJYFHIAVCQRMRX-DZGCQCFKSA-N 2 0 270.486 2.792 20 0 CFADRP C([C@H]1CC[N@@H+](CC2CCSCC2)C1)[NH+]1CCCCC1 ZINC000638123729 384436541 /nfs/dbraw/zinc/43/65/41/384436541.db2.gz RHKDYUSTGRRJHD-MRXNPFEDSA-N 2 0 282.497 2.937 20 0 CFADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000643009744 384474918 /nfs/dbraw/zinc/47/49/18/384474918.db2.gz GQPDHHVWELGSQT-GWCFXTLKSA-N 2 0 289.354 2.556 20 0 CFADRP C(C[NH+]1CCC(C2CCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000643058155 384487577 /nfs/dbraw/zinc/48/75/77/384487577.db2.gz IUYIKSHSRRNBQR-AWEZNQCLSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000643057811 384488295 /nfs/dbraw/zinc/48/82/95/384488295.db2.gz AKQOLPSVKMNUOR-YOEHRIQHSA-N 2 0 258.409 2.995 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000643076723 384492337 /nfs/dbraw/zinc/49/23/37/384492337.db2.gz CHWLHHVAXQDLIC-MRXNPFEDSA-N 2 0 276.424 2.660 20 0 CFADRP COCCC[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638288975 384533215 /nfs/dbraw/zinc/53/32/15/384533215.db2.gz HOCPOQXPMUDVIV-WMZOPIPTSA-N 2 0 288.435 2.981 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccccc32)CCCO1 ZINC000278381798 384549558 /nfs/dbraw/zinc/54/95/58/384549558.db2.gz CJRJZNFHCZNTPO-MAUKXSAKSA-N 2 0 288.435 2.764 20 0 CFADRP COc1cccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1F ZINC000643296035 384554028 /nfs/dbraw/zinc/55/40/28/384554028.db2.gz QTEUWRXVGHRBHF-UHFFFAOYSA-N 2 0 280.387 2.797 20 0 CFADRP c1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000638361007 384584860 /nfs/dbraw/zinc/58/48/60/384584860.db2.gz YYUVDCZTVQGKBE-SJORKVTESA-N 2 0 299.462 2.587 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000638362605 384586371 /nfs/dbraw/zinc/58/63/71/384586371.db2.gz CCFHDAAEAXYEMF-FXQLRMTLSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](C)C2CCCCC2)CC1 ZINC000638363975 384589729 /nfs/dbraw/zinc/58/97/29/384589729.db2.gz UJCIEIBOPPTVPX-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CO[C@@H](C[NH2+]CCC[N@H+](C)C(C)C)C1CCCC1 ZINC000638337602 384567740 /nfs/dbraw/zinc/56/77/40/384567740.db2.gz IDYSFCYDAVHWGG-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000638381066 384608397 /nfs/dbraw/zinc/60/83/97/384608397.db2.gz IJQWJIDJMXYNQY-HZPDHXFCSA-N 2 0 272.436 2.723 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000638391739 384617305 /nfs/dbraw/zinc/61/73/05/384617305.db2.gz SOZFUHVIPWXKKE-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CC1CCC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638411041 384631863 /nfs/dbraw/zinc/63/18/63/384631863.db2.gz LHMWLDHZWQIIIY-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CCC[C@@H]1CCO1 ZINC000638366278 384593030 /nfs/dbraw/zinc/59/30/30/384593030.db2.gz MNEUHSCTRXCUIQ-HZPDHXFCSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@](C)(C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)OC ZINC000638367612 384593668 /nfs/dbraw/zinc/59/36/68/384593668.db2.gz XBCNYWNWAMIKJO-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638371428 384599128 /nfs/dbraw/zinc/59/91/28/384599128.db2.gz RQJBMUKVWXYGJA-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc(C)n1 ZINC000643349232 384601363 /nfs/dbraw/zinc/60/13/63/384601363.db2.gz GOXNPBVHVWALEF-AWEZNQCLSA-N 2 0 261.413 2.518 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(c3ccnc4ccncc43)CC[C@@H]21 ZINC000268810767 384665582 /nfs/dbraw/zinc/66/55/82/384665582.db2.gz HFEGECUDHBDJKK-CJNGLKHVSA-N 2 0 282.391 2.550 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3n2C)C1 ZINC000638452446 384670909 /nfs/dbraw/zinc/67/09/09/384670909.db2.gz ZVNQVIKGDLBTGA-HNNXBMFYSA-N 2 0 285.435 3.000 20 0 CFADRP CO[C@@H](C[NH2+]CCCC[NH+](C)C)C1CCCCC1 ZINC000638452344 384671463 /nfs/dbraw/zinc/67/14/63/384671463.db2.gz XQSSBZASRIIURN-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2ccnc2)cc1 ZINC000643455969 384635344 /nfs/dbraw/zinc/63/53/44/384635344.db2.gz FQQNBOVVVOFNKL-ZBFHGGJFSA-N 2 0 284.407 2.665 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456624 384638054 /nfs/dbraw/zinc/63/80/54/384638054.db2.gz OAOXYDCZXWHYKR-CHWSQXEVSA-N 2 0 272.314 2.717 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000643457622 384640107 /nfs/dbraw/zinc/64/01/07/384640107.db2.gz RDTKZISOZAMMFH-HIFRSBDPSA-N 2 0 276.424 2.690 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000643460281 384642072 /nfs/dbraw/zinc/64/20/72/384642072.db2.gz JIANIEXRGYQCQK-STQMWFEESA-N 2 0 284.407 2.698 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000643460381 384642114 /nfs/dbraw/zinc/64/21/14/384642114.db2.gz YGIWIFPYWLFRKP-XLNGHYISSA-N 2 0 273.424 2.695 20 0 CFADRP Clc1cccc2c1OCCC[C@@H]2NCC[NH2+]C1CC1 ZINC000643507318 384675275 /nfs/dbraw/zinc/67/52/75/384675275.db2.gz ZAYHQCGTYIQMHJ-AWEZNQCLSA-N 2 0 280.799 2.895 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])[C@@H]1CCCCO1 ZINC000643466864 384646321 /nfs/dbraw/zinc/64/63/21/384646321.db2.gz VNUZGCSCGMXCQR-ZNMIVQPWSA-N 2 0 268.445 2.831 20 0 CFADRP CCCC[NH+]1CCC([NH2+]CC2CC(OCC)C2)CC1 ZINC000638428941 384647079 /nfs/dbraw/zinc/64/70/79/384647079.db2.gz FCMZNLDKOKNLSU-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000643467571 384648084 /nfs/dbraw/zinc/64/80/84/384648084.db2.gz ULVDXONPVJYMRG-NILFDRSVSA-N 2 0 282.815 2.745 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000643467569 384648642 /nfs/dbraw/zinc/64/86/42/384648642.db2.gz ULVDXONPVJYMRG-BYCMXARLSA-N 2 0 282.815 2.745 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000643468304 384648939 /nfs/dbraw/zinc/64/89/39/384648939.db2.gz NMMUCCBJZQSKBQ-MZMPZRCHSA-N 2 0 286.419 2.878 20 0 CFADRP CCC1(O)CCC([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000643474119 384651828 /nfs/dbraw/zinc/65/18/28/384651828.db2.gz BPTHTAWWJTUKJB-RFSCMCKOSA-N 2 0 291.439 2.583 20 0 CFADRP CCC1(O)CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643474202 384652132 /nfs/dbraw/zinc/65/21/32/384652132.db2.gz NSTFSUGKFJUGPQ-KDFVVIITSA-N 2 0 274.408 2.805 20 0 CFADRP COc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)ccc1F ZINC000643477590 384654116 /nfs/dbraw/zinc/65/41/16/384654116.db2.gz PMMHLSFIVWMEPC-YPMHNXCESA-N 2 0 266.360 2.627 20 0 CFADRP C(CC[NH2+]CCC[C@H]1CCO1)CC[NH+]1CCCCC1 ZINC000638528016 384724333 /nfs/dbraw/zinc/72/43/33/384724333.db2.gz ZEZGDLZIRDTAME-INIZCTEOSA-N 2 0 268.445 2.801 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000643509182 384681100 /nfs/dbraw/zinc/68/11/00/384681100.db2.gz DCGMERCILYQWOD-BONVTDFDSA-N 2 0 266.335 2.541 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000643513066 384684775 /nfs/dbraw/zinc/68/47/75/384684775.db2.gz PWLRVMUFBMLSTH-JKSUJKDBSA-N 2 0 268.445 2.846 20 0 CFADRP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000643521976 384686977 /nfs/dbraw/zinc/68/69/77/384686977.db2.gz GCICAJVQRHSLGS-JQWIXIFHSA-N 2 0 267.442 2.807 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cnn1C(C)(C)C ZINC000643522019 384687092 /nfs/dbraw/zinc/68/70/92/384687092.db2.gz GLQJMBPNCHROPM-GXTWGEPZSA-N 2 0 278.444 2.739 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000643522014 384687405 /nfs/dbraw/zinc/68/74/05/384687405.db2.gz GHGNOCPSWXBGEP-LSDHHAIUSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000643522710 384688368 /nfs/dbraw/zinc/68/83/68/384688368.db2.gz SEDXRCUZGHFOPX-SIXLDLHFSA-N 2 0 258.409 2.910 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CCc2ccc(C)cc2)CC1 ZINC000638480803 384688626 /nfs/dbraw/zinc/68/86/26/384688626.db2.gz AFVIWACEKIVJQG-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522528 384689499 /nfs/dbraw/zinc/68/94/99/384689499.db2.gz ONNGXEGWKDJMQV-FZMZJTMJSA-N 2 0 278.371 2.553 20 0 CFADRP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643547946 384726616 /nfs/dbraw/zinc/72/66/16/384726616.db2.gz HVICXHCKZUTOGN-LHHMISFZSA-N 2 0 270.420 2.960 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cnn1C(C)(C)C ZINC000643522020 384689901 /nfs/dbraw/zinc/68/99/01/384689901.db2.gz GLQJMBPNCHROPM-JSGCOSHPSA-N 2 0 278.444 2.739 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000643522830 384691051 /nfs/dbraw/zinc/69/10/51/384691051.db2.gz SRWYXVUYHKNVAL-PAYONLEZSA-N 2 0 288.435 2.919 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000638484119 384691204 /nfs/dbraw/zinc/69/12/04/384691204.db2.gz UDMDDXJZUJYEOR-OWCLPIDISA-N 2 0 280.456 2.513 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000643522829 384691429 /nfs/dbraw/zinc/69/14/29/384691429.db2.gz SRWYXVUYHKNVAL-OXXUSNJHSA-N 2 0 288.435 2.919 20 0 CFADRP CC[C@H](NC[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643525687 384693928 /nfs/dbraw/zinc/69/39/28/384693928.db2.gz AXEPIHVAOWPCAK-CABZTGNLSA-N 2 0 271.202 2.837 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643524505 384694459 /nfs/dbraw/zinc/69/44/59/384694459.db2.gz SAOIKCQBIMBDHO-KBRIMQKVSA-N 2 0 258.409 2.522 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000643524208 384694629 /nfs/dbraw/zinc/69/46/29/384694629.db2.gz VVBZDQBOAHFZLF-XEZPLFJOSA-N 2 0 274.408 2.932 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000643527451 384699294 /nfs/dbraw/zinc/69/92/94/384699294.db2.gz NCAYETPNDPZWAC-JKOKRWQUSA-N 2 0 252.789 2.913 20 0 CFADRP Cc1ccsc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000268954178 384699720 /nfs/dbraw/zinc/69/97/20/384699720.db2.gz VWSUZPQIEPOCPJ-HUUCEWRRSA-N 2 0 296.480 2.944 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000643529886 384704002 /nfs/dbraw/zinc/70/40/02/384704002.db2.gz UEJZQSNURMMSIZ-SUHUHFCYSA-N 2 0 252.789 2.913 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000643548298 384727237 /nfs/dbraw/zinc/72/72/37/384727237.db2.gz XVCYGRGRIMZWQN-COMQUAJESA-N 2 0 274.433 2.811 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000643528948 384704592 /nfs/dbraw/zinc/70/45/92/384704592.db2.gz RQJVJZSALMSPLH-RKDXNWHRSA-N 2 0 261.196 2.861 20 0 CFADRP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533920 384705433 /nfs/dbraw/zinc/70/54/33/384705433.db2.gz HTWZCSCYGJCOBZ-HUUCEWRRSA-N 2 0 260.356 2.545 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1F ZINC000643534197 384705675 /nfs/dbraw/zinc/70/56/75/384705675.db2.gz OEHFLXTUVKTWCO-QMTHXVAHSA-N 2 0 266.335 2.758 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000643533782 384705947 /nfs/dbraw/zinc/70/59/47/384705947.db2.gz DWVKNWGPEZTWAX-CVEARBPZSA-N 2 0 274.408 2.878 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643534773 384707846 /nfs/dbraw/zinc/70/78/46/384707846.db2.gz CKPDPWNEHISTSI-CVEARBPZSA-N 2 0 274.383 2.935 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)CC[NH2+]2 ZINC000643547381 384727419 /nfs/dbraw/zinc/72/74/19/384727419.db2.gz DQNJZSNQGKXGIU-TWMKSMIVSA-N 2 0 292.467 2.846 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000643535697 384709220 /nfs/dbraw/zinc/70/92/20/384709220.db2.gz HTFLQOBBVRLHIX-BBRMVZONSA-N 2 0 274.408 2.796 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)C12CCCCC2 ZINC000643535257 384709380 /nfs/dbraw/zinc/70/93/80/384709380.db2.gz LCGMGYVZLDXIBQ-HRCADAONSA-N 2 0 292.467 2.846 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cn1 ZINC000643535397 384709739 /nfs/dbraw/zinc/70/97/39/384709739.db2.gz LPGXBBNXGNLINY-ZWNOBZJWSA-N 2 0 265.788 2.528 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535150 384710008 /nfs/dbraw/zinc/71/00/08/384710008.db2.gz JPTOPOMNNVGMEE-DOTOQJQBSA-N 2 0 286.419 2.940 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccccc1N(C)C ZINC000643536262 384710921 /nfs/dbraw/zinc/71/09/21/384710921.db2.gz SESGVIOEPWMWTK-CJNGLKHVSA-N 2 0 273.424 2.545 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000643536147 384711398 /nfs/dbraw/zinc/71/13/98/384711398.db2.gz RJDKSFMYYOAVRQ-JKSUJKDBSA-N 2 0 274.408 2.878 20 0 CFADRP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC34CC[NH2+]CC4)C2)c1 ZINC000643536892 384713740 /nfs/dbraw/zinc/71/37/40/384713740.db2.gz XXGWMJPGWWEWMS-OIISXLGYSA-N 2 0 285.435 2.840 20 0 CFADRP CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000643542626 384722277 /nfs/dbraw/zinc/72/22/77/384722277.db2.gz UREWZBWDVMQIMN-JHJVBQTASA-N 2 0 252.427 2.786 20 0 CFADRP CO[C@H](C[NH2+]CCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000638566439 384746938 /nfs/dbraw/zinc/74/69/38/384746938.db2.gz IVNMLZFUNGYCFC-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+]1CCC([NH2+]CCCc2ccccc2F)CC1 ZINC000280100828 384883688 /nfs/dbraw/zinc/88/36/88/384883688.db2.gz ALBAMROUZUJCTK-UHFFFAOYSA-N 2 0 264.388 2.832 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638692607 384838952 /nfs/dbraw/zinc/83/89/52/384838952.db2.gz JTEPYZYIFZIXLZ-AAEUAGOBSA-N 2 0 260.372 2.742 20 0 CFADRP COCC1(C[NH2+]C2CCC(C[NH+](C)C)CC2)CCC1 ZINC000638775118 384909602 /nfs/dbraw/zinc/90/96/02/384909602.db2.gz BETPMQDBYDPKGE-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638773543 384909762 /nfs/dbraw/zinc/90/97/62/384909762.db2.gz BXIQHDPPKRDJFE-GPMSIDNRSA-N 2 0 299.462 2.585 20 0 CFADRP CCC[C@H](C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787852 384920019 /nfs/dbraw/zinc/92/00/19/384920019.db2.gz LUBDVSCFMNILSE-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638788633 384921174 /nfs/dbraw/zinc/92/11/74/384921174.db2.gz NOUMXSNTSQCCNV-WCXIOVBPSA-N 2 0 264.457 2.990 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369215239 285145226 /nfs/dbraw/zinc/14/52/26/285145226.db2.gz OGBLLSKEKGVZCU-OTBWCIGPSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000638850240 384985305 /nfs/dbraw/zinc/98/53/05/384985305.db2.gz IAVAFNOHWVQOQJ-GOSISDBHSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CS1 ZINC000638851403 384987227 /nfs/dbraw/zinc/98/72/27/384987227.db2.gz KFBJJZJTJFSYEI-IUODEOHRSA-N 2 0 264.438 2.732 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638865226 384998036 /nfs/dbraw/zinc/99/80/36/384998036.db2.gz UHXZDSURQAXSKL-JYJNAYRXSA-N 2 0 297.487 2.534 20 0 CFADRP CCc1cccnc1N[C@H](c1nccn1C)C1CC1 ZINC000638885319 385015566 /nfs/dbraw/zinc/01/55/66/385015566.db2.gz BVUNSKQCLALTLF-ZDUSSCGKSA-N 2 0 256.353 2.941 20 0 CFADRP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CCCN(C)C1 ZINC000644883248 385115313 /nfs/dbraw/zinc/11/53/13/385115313.db2.gz BKRNRGNZBSPYCA-VHUCWBOISA-N 2 0 288.435 2.920 20 0 CFADRP CC[NH+]1CCC(N[C@H](C)c2ccc(Cl)nc2)CC1 ZINC000270504818 385126289 /nfs/dbraw/zinc/12/62/89/385126289.db2.gz OGWMLVRGFWNIOE-LLVKDONJSA-N 2 0 267.804 2.870 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000639056776 385136826 /nfs/dbraw/zinc/13/68/26/385136826.db2.gz IAMMMJGXMHJETK-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP Cn1c2cc(F)ccc2nc1N1CCC[C@@H](n2ccnc2)C1 ZINC000644862302 385106392 /nfs/dbraw/zinc/10/63/92/385106392.db2.gz ZTINYOPQPWHHMD-CYBMUJFWSA-N 2 0 299.353 2.750 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000639102826 385194033 /nfs/dbraw/zinc/19/40/33/385194033.db2.gz MFMVSDMPVGDUBU-NWDGAFQWSA-N 2 0 260.372 2.742 20 0 CFADRP C([NH2+]CC1CC[NH+](C2CC2)CC1)C1CCSCC1 ZINC000639107621 385201105 /nfs/dbraw/zinc/20/11/05/385201105.db2.gz AIOMHDSJDATJJY-UHFFFAOYSA-N 2 0 268.470 2.594 20 0 CFADRP C[C@H](O)CC[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000639107203 385201185 /nfs/dbraw/zinc/20/11/85/385201185.db2.gz YXHFQVVDOOMAQZ-LESCRADOSA-N 2 0 288.435 2.715 20 0 CFADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCO1 ZINC000639121895 385221018 /nfs/dbraw/zinc/22/10/18/385221018.db2.gz QQCDNFJHRFAUAM-VQHPVUNQSA-N 2 0 280.456 2.513 20 0 CFADRP Cc1cccn2cc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)nc12 ZINC000645186831 385230697 /nfs/dbraw/zinc/23/06/97/385230697.db2.gz AQECKRGASLRJMG-SFHVURJKSA-N 2 0 298.434 2.560 20 0 CFADRP C(C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)C[C@@H]1CCO1 ZINC000639132660 385232537 /nfs/dbraw/zinc/23/25/37/385232537.db2.gz CTGXVPYVAPRNKC-DLBZAZTESA-N 2 0 280.456 2.942 20 0 CFADRP C[N@H+](Cc1ccc2nccnc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639163124 385265938 /nfs/dbraw/zinc/26/59/38/385265938.db2.gz TYBPHLRSRNRUEF-XYPWUTKMSA-N 2 0 296.418 2.687 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc2ccccc2n1C ZINC000639178143 385290082 /nfs/dbraw/zinc/29/00/82/385290082.db2.gz IQQNSHSJYPFQER-WMLDXEAASA-N 2 0 285.435 2.950 20 0 CFADRP CCCCN(C)C[C@H](C)[NH2+]CCC1CCOCC1 ZINC000639188360 385300177 /nfs/dbraw/zinc/30/01/77/385300177.db2.gz IQOIDOMMEBKMCD-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)[C@H]1CC1(F)F ZINC000639210139 385333250 /nfs/dbraw/zinc/33/32/50/385333250.db2.gz IMEUIQLTZRVBGG-CHWSQXEVSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CS1 ZINC000639211232 385334236 /nfs/dbraw/zinc/33/42/36/385334236.db2.gz RVBJWSCRHRGKAY-KGLIPLIRSA-N 2 0 256.459 2.736 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CCCC[NH3+])ccc1OC(F)F ZINC000423345543 533114570 /nfs/dbraw/zinc/11/45/70/533114570.db2.gz XQPANKVZHMNZQY-SNVBAGLBSA-N 2 0 288.338 2.686 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@H](C)c1cscn1 ZINC000271125034 385343032 /nfs/dbraw/zinc/34/30/32/385343032.db2.gz KHYVASPDESGAEO-LLVKDONJSA-N 2 0 264.398 2.779 20 0 CFADRP Cn1ccnc1[C@H]([NH2+]C(C)(C)CCC[NH+](C)C)C1CC1 ZINC000639230469 385356963 /nfs/dbraw/zinc/35/69/63/385356963.db2.gz ALMMJAXMHROTSA-CQSZACIVSA-N 2 0 278.444 2.581 20 0 CFADRP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000376162635 285163591 /nfs/dbraw/zinc/16/35/91/285163591.db2.gz MZVYBYKNSVFQTP-UAGQMJEPSA-N 2 0 276.424 2.694 20 0 CFADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000639261261 385390278 /nfs/dbraw/zinc/39/02/78/385390278.db2.gz MDZUUBYREHCCTK-RDJZCZTQSA-N 2 0 294.483 2.638 20 0 CFADRP C[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639247559 385378172 /nfs/dbraw/zinc/37/81/72/385378172.db2.gz WAZVYKXIOKXHPK-CYBMUJFWSA-N 2 0 270.461 2.636 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271910419 385397784 /nfs/dbraw/zinc/39/77/84/385397784.db2.gz XVKMMKWJXRITBC-MRXNPFEDSA-N 2 0 272.392 2.534 20 0 CFADRP COC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282913555 385410086 /nfs/dbraw/zinc/41/00/86/385410086.db2.gz GQXUUHQZNKNDNF-RDJZCZTQSA-N 2 0 290.451 2.912 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282913552 385410159 /nfs/dbraw/zinc/41/01/59/385410159.db2.gz GQXUUHQZNKNDNF-DOTOQJQBSA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@@](C)(C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)OC ZINC000639286827 385414123 /nfs/dbraw/zinc/41/41/23/385414123.db2.gz UMBXOQNOAMDCOK-SQNIBIBYSA-N 2 0 290.451 2.737 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@H]12)OC ZINC000639302021 385429378 /nfs/dbraw/zinc/42/93/78/385429378.db2.gz JWZYTBKLTFSUES-JJXSEGSLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236907 385483201 /nfs/dbraw/zinc/48/32/01/385483201.db2.gz VREBDZOGSRGLSR-CGTJXYLNSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)sn1 ZINC000639336386 385462376 /nfs/dbraw/zinc/46/23/76/385462376.db2.gz CBPNUPWXGNEGAL-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)CCO1 ZINC000639374095 385491366 /nfs/dbraw/zinc/49/13/66/385491366.db2.gz ALUGGVHQJPEOQN-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000639374659 385492100 /nfs/dbraw/zinc/49/21/00/385492100.db2.gz IOOFMUUYTANDRR-MUJYYYPQSA-N 2 0 262.441 2.983 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CC(C)(C)COC)CC1 ZINC000639376198 385493392 /nfs/dbraw/zinc/49/33/92/385493392.db2.gz XQMKTWWFCOPYMQ-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1cn[nH]c1 ZINC000283690419 385489244 /nfs/dbraw/zinc/48/92/44/385489244.db2.gz ACYDNTHUZLFLDX-RHSMWYFYSA-N 2 0 284.407 2.725 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1 ZINC000639453630 385538409 /nfs/dbraw/zinc/53/84/09/385538409.db2.gz PERVMSNXJNUITE-UHFFFAOYSA-N 2 0 275.440 2.780 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000337489138 285178109 /nfs/dbraw/zinc/17/81/09/285178109.db2.gz VBADRMJAOWRMFZ-CVEARBPZSA-N 2 0 282.472 2.903 20 0 CFADRP CCOCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487255 385550563 /nfs/dbraw/zinc/55/05/63/385550563.db2.gz MRSHVAURJUTYLP-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423224263 533130573 /nfs/dbraw/zinc/13/05/73/533130573.db2.gz ITLZUJCGBLZWBH-KBXCAEBGSA-N 2 0 299.418 2.701 20 0 CFADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000639546175 385579597 /nfs/dbraw/zinc/57/95/97/385579597.db2.gz JOJIDBUQNHIOQK-AEFFLSMTSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@H](C)C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288720592 197152133 /nfs/dbraw/zinc/15/21/33/197152133.db2.gz ZXEGTOUPOQKMDY-AWEZNQCLSA-N 2 0 279.428 2.548 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757323 385697678 /nfs/dbraw/zinc/69/76/78/385697678.db2.gz FZVJZKCHPHNUBI-CQSZACIVSA-N 2 0 259.397 2.560 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000639756670 385698475 /nfs/dbraw/zinc/69/84/75/385698475.db2.gz BGAWBYAIRXMDSY-UHFFFAOYSA-N 2 0 262.372 2.743 20 0 CFADRP CCc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639760129 385700061 /nfs/dbraw/zinc/70/00/61/385700061.db2.gz QXASVYMXANFCON-UHFFFAOYSA-N 2 0 279.453 2.623 20 0 CFADRP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000286974005 385754059 /nfs/dbraw/zinc/75/40/59/385754059.db2.gz IROIFSUJPORONB-JZXOWHBKSA-N 2 0 289.467 2.579 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc[nH]c(=O)c1 ZINC000639894960 385757366 /nfs/dbraw/zinc/75/73/66/385757366.db2.gz JNNYJSJWKQDMQM-UHFFFAOYSA-N 2 0 299.418 2.871 20 0 CFADRP Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)cc[nH+]1 ZINC000274359446 385776761 /nfs/dbraw/zinc/77/67/61/385776761.db2.gz MXQHVWYUDZSSJF-UHFFFAOYSA-N 2 0 277.412 2.691 20 0 CFADRP Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000274393704 385784887 /nfs/dbraw/zinc/78/48/87/385784887.db2.gz WFNVAOIVXXYDBC-HUUCEWRRSA-N 2 0 277.412 2.691 20 0 CFADRP C[C@@H](CCOCc1ccccc1)[NH2+]C1CCN(C)CC1 ZINC000287188917 385799677 /nfs/dbraw/zinc/79/96/77/385799677.db2.gz VQLNKFSEYSQIQJ-HNNXBMFYSA-N 2 0 276.424 2.666 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000639984374 385805417 /nfs/dbraw/zinc/80/54/17/385805417.db2.gz UJZRQEOHDCUYFL-UHFFFAOYSA-N 2 0 278.440 2.696 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCF)CC1 ZINC000639987260 385807008 /nfs/dbraw/zinc/80/70/08/385807008.db2.gz GPGCBPULUBOOMR-OAHLLOKOSA-N 2 0 256.409 2.932 20 0 CFADRP CC(C)CCC[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288585862 197120366 /nfs/dbraw/zinc/12/03/66/197120366.db2.gz OEVNIZVECOFSBA-UHFFFAOYSA-N 2 0 293.455 2.938 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122749873 413009149 /nfs/dbraw/zinc/00/91/49/413009149.db2.gz AECZVSCPDPLTRV-DOMZBBRYSA-N 2 0 282.815 2.778 20 0 CFADRP COc1ccc([C@H](C)C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000414843503 533157204 /nfs/dbraw/zinc/15/72/04/533157204.db2.gz PZUIHMYFTCTAFN-CABCVRRESA-N 2 0 276.424 2.778 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000359623699 285218366 /nfs/dbraw/zinc/21/83/66/285218366.db2.gz WLCUBWZLMOJOOA-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423116364 533162029 /nfs/dbraw/zinc/16/20/29/533162029.db2.gz POSBLTKLSDNMRK-BFVZDQMLSA-N 2 0 266.360 2.537 20 0 CFADRP C[C@@]1(C[NH2+]CCC[NH+]2CCCCC2)CCCS1 ZINC000124308224 413012742 /nfs/dbraw/zinc/01/27/42/413012742.db2.gz FYGYFEMDCGEJDL-AWEZNQCLSA-N 2 0 256.459 2.738 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000423491853 533176113 /nfs/dbraw/zinc/17/61/13/533176113.db2.gz KRBCUNQGMYKUAA-CTASWTNQSA-N 2 0 276.424 2.904 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1O ZINC000423269287 533173410 /nfs/dbraw/zinc/17/34/10/533173410.db2.gz FHAUKXSPKKDDIN-IACUBPJLSA-N 2 0 278.396 2.569 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423322618 533176739 /nfs/dbraw/zinc/17/67/39/533176739.db2.gz NYIXENGOGNGOQV-BFQNTYOBSA-N 2 0 262.397 2.514 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000051630798 542432532 /nfs/dbraw/zinc/43/25/32/542432532.db2.gz SXFAZTNEINOHDZ-KSSFIOAISA-N 2 0 272.436 2.864 20 0 CFADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[NH3+])cc1 ZINC000423197029 533189022 /nfs/dbraw/zinc/18/90/22/533189022.db2.gz XJZIGWZIGBODIB-SFHVURJKSA-N 2 0 284.403 2.917 20 0 CFADRP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000261975153 285253861 /nfs/dbraw/zinc/25/38/61/285253861.db2.gz QRXCOFLPXQSOBG-INIZCTEOSA-N 2 0 296.842 2.959 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@H](C)C[NH3+])c2ccccc2)cc1 ZINC000423301363 533196529 /nfs/dbraw/zinc/19/65/29/533196529.db2.gz FUDVAPXYNIIXHI-RDTXWAMCSA-N 2 0 284.403 2.969 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2CC2)cc1 ZINC000422938853 533198133 /nfs/dbraw/zinc/19/81/33/533198133.db2.gz LARJWGGLGWEHDF-MQIPJXDCSA-N 2 0 262.397 2.862 20 0 CFADRP COCCC1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000422891525 533211651 /nfs/dbraw/zinc/21/16/51/533211651.db2.gz VOIJZNYPZRJQGA-NVXWUHKLSA-N 2 0 290.451 2.741 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000681662208 542476110 /nfs/dbraw/zinc/47/61/10/542476110.db2.gz DWLZLTZMWKCFKX-KRWDZBQOSA-N 2 0 258.409 2.948 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453154688 285316934 /nfs/dbraw/zinc/31/69/34/285316934.db2.gz AIEJJWSCKMSWRG-KSZLIROESA-N 2 0 292.467 2.533 20 0 CFADRP COC1CCN(CC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000163618375 542510294 /nfs/dbraw/zinc/51/02/94/542510294.db2.gz MVQRMWCRMUTXDT-UHFFFAOYSA-N 2 0 292.467 2.512 20 0 CFADRP Cc1csc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000132098997 413035085 /nfs/dbraw/zinc/03/50/85/413035085.db2.gz KBXOUKIHRUYAPH-ZIAGYGMSSA-N 2 0 273.405 2.728 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000131982177 285352886 /nfs/dbraw/zinc/35/28/86/285352886.db2.gz QMNXURCNCNOGTI-IJEWVQPXSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000163881409 542575497 /nfs/dbraw/zinc/57/54/97/542575497.db2.gz IIXUDVZPHDZOEE-INIZCTEOSA-N 3 0 283.504 2.818 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000020200344 542575595 /nfs/dbraw/zinc/57/55/95/542575595.db2.gz ZFUOZRNQWMAXES-MRXNPFEDSA-N 2 0 289.467 2.672 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)sn1 ZINC000682672569 542578244 /nfs/dbraw/zinc/57/82/44/542578244.db2.gz FAHZCRNWWGYIRI-LLVKDONJSA-N 2 0 262.382 2.554 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000414963611 533266264 /nfs/dbraw/zinc/26/62/64/533266264.db2.gz LATLCOWQLCJBDT-SJORKVTESA-N 2 0 288.435 2.674 20 0 CFADRP COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422720900 533269598 /nfs/dbraw/zinc/26/95/98/533269598.db2.gz UCZKLCBZPDLYBA-STQMWFEESA-N 2 0 294.464 2.684 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH3+])CCS2 ZINC000423343239 533289315 /nfs/dbraw/zinc/28/93/15/533289315.db2.gz ZRUZFAZTPBHJSL-ZDUSSCGKSA-N 2 0 266.410 2.561 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423531293 533290120 /nfs/dbraw/zinc/29/01/20/533290120.db2.gz SHXSONPSUSSHAX-KRWDZBQOSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423424797 533291898 /nfs/dbraw/zinc/29/18/98/533291898.db2.gz DCTZILNLFPVOFT-OKZBNKHCSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423172238 533335434 /nfs/dbraw/zinc/33/54/34/533335434.db2.gz RXHYAARPPLBECB-XVSSEFHLSA-N 2 0 260.372 2.931 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422944703 533365799 /nfs/dbraw/zinc/36/57/99/533365799.db2.gz LZMCZKNCYHTVKO-CJNGLKHVSA-N 2 0 276.424 2.703 20 0 CFADRP C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423103922 533366653 /nfs/dbraw/zinc/36/66/53/533366653.db2.gz AWVBXCMVRQNXNV-LYSZQXJVSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]C1 ZINC000414821212 533390169 /nfs/dbraw/zinc/39/01/69/533390169.db2.gz KZFOZSUWBRCCME-RHSMWYFYSA-N 2 0 288.435 2.532 20 0 CFADRP COc1ccc(C)cc1CC[NH2+][C@H](C)CCCC[NH3+] ZINC000422783509 533384041 /nfs/dbraw/zinc/38/40/41/533384041.db2.gz LGTPUXSYEZOYJJ-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(-n2cccn2)cc1 ZINC000423255892 533402891 /nfs/dbraw/zinc/40/28/91/533402891.db2.gz DCJKXBODPACJJG-HZPDHXFCSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423259826 533402944 /nfs/dbraw/zinc/40/29/44/533402944.db2.gz PCVMCUSTYUASJI-HUUCEWRRSA-N 2 0 275.440 2.793 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[NH2+]1 ZINC000422832798 533404043 /nfs/dbraw/zinc/40/40/43/533404043.db2.gz FYVKVSLRYRZDIO-WBMJQRKESA-N 2 0 289.398 2.970 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422759532 533426945 /nfs/dbraw/zinc/42/69/45/533426945.db2.gz KXXHITMWAUXMEV-ZMSDIMECSA-N 2 0 276.424 2.569 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422759683 533427192 /nfs/dbraw/zinc/42/71/92/533427192.db2.gz LHPUKHFHTUHUTQ-JZXOWHBKSA-N 2 0 290.451 2.960 20 0 CFADRP C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422891147 533429641 /nfs/dbraw/zinc/42/96/41/533429641.db2.gz KDOXYWKIWAARCF-DJIMGWMZSA-N 2 0 281.488 2.617 20 0 CFADRP COc1cccc(C2(C[NH2+][C@H]3CCC[C@H]3[NH3+])CCCC2)c1 ZINC000422891241 533436521 /nfs/dbraw/zinc/43/65/21/533436521.db2.gz UXLRUDVHWHDRQM-SJORKVTESA-N 2 0 288.435 2.976 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c(Cl)c1 ZINC000422889205 533500447 /nfs/dbraw/zinc/50/04/47/533500447.db2.gz OYPCZEHJZRNMGZ-WDEREUQCSA-N 2 0 270.804 2.607 20 0 CFADRP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CC[NH2+]C3)cc12 ZINC001243111320 781994205 /nfs/dbraw/zinc/99/42/05/781994205.db2.gz DLEQGBDOFIASLL-MRXNPFEDSA-N 2 0 281.403 2.791 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1F ZINC000414772226 533602883 /nfs/dbraw/zinc/60/28/83/533602883.db2.gz BLWMNTRPAPEDMF-HZPDHXFCSA-N 2 0 276.399 2.956 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1C(F)(F)F ZINC000422919003 533533034 /nfs/dbraw/zinc/53/30/34/533533034.db2.gz JJPIKXGZZILLGL-NXEZZACHSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422812632 533536980 /nfs/dbraw/zinc/53/69/80/533536980.db2.gz YAGNPPGVNVXUAT-KBAYOESNSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCN1c2ccccc2C[C@@H]1C ZINC000422769901 533538136 /nfs/dbraw/zinc/53/81/36/533538136.db2.gz UJPBYYROUDKHQQ-GJZGRUSLSA-N 2 0 275.440 2.545 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422732747 533538274 /nfs/dbraw/zinc/53/82/74/533538274.db2.gz QHIPGBBIQVRUBP-BBRMVZONSA-N 2 0 281.419 2.536 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000423154487 533538354 /nfs/dbraw/zinc/53/83/54/533538354.db2.gz HXTJTGTZHPDRHJ-NSHDSACASA-N 2 0 288.794 2.965 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423343659 533540949 /nfs/dbraw/zinc/54/09/49/533540949.db2.gz MEEFMTDFDFAJOJ-GOSISDBHSA-N 2 0 286.419 2.526 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]CCOc1ccc2ccccc2c1 ZINC000422815320 533553916 /nfs/dbraw/zinc/55/39/16/533553916.db2.gz XJJHQZSVHYSAQM-AWEZNQCLSA-N 2 0 272.392 2.936 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422747114 533555183 /nfs/dbraw/zinc/55/51/83/533555183.db2.gz XYMXEMNJHJQEIN-JTQLQIEISA-N 2 0 255.431 2.658 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256570 533567677 /nfs/dbraw/zinc/56/76/77/533567677.db2.gz CASONPYUURMIRP-RDJZCZTQSA-N 2 0 275.440 2.772 20 0 CFADRP COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422796323 533569571 /nfs/dbraw/zinc/56/95/71/533569571.db2.gz YFNMFRWEVOZDDA-GHMZBOCLSA-N 2 0 254.349 2.612 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)CC[NH2+]1 ZINC000423397849 533659123 /nfs/dbraw/zinc/65/91/23/533659123.db2.gz UZYMQVVHZXGLOI-XOKHGSTOSA-N 2 0 258.409 2.738 20 0 CFADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414822254 533661771 /nfs/dbraw/zinc/66/17/71/533661771.db2.gz DLEZDJKDPQIJRX-JSGCOSHPSA-N 2 0 298.377 2.951 20 0 CFADRP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341876092 130102815 /nfs/dbraw/zinc/10/28/15/130102815.db2.gz MSHKLZBQRQXJPV-DZGCQCFKSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000341966159 130179244 /nfs/dbraw/zinc/17/92/44/130179244.db2.gz HYQBGDBTIZORKC-ZDUSSCGKSA-N 2 0 295.858 2.980 20 0 CFADRP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCCCC1 ZINC000353673519 130186165 /nfs/dbraw/zinc/18/61/65/130186165.db2.gz QGBJBNAWOLNZEH-XDNAFOTISA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000191515963 130248268 /nfs/dbraw/zinc/24/82/68/130248268.db2.gz DDFKUMJBOJMPOW-DGCLKSJQSA-N 2 0 268.351 2.580 20 0 CFADRP Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342105219 130264140 /nfs/dbraw/zinc/26/41/40/130264140.db2.gz OBEXARJHVSWUBI-ULQDDVLXSA-N 2 0 258.409 2.597 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355910554 130352786 /nfs/dbraw/zinc/35/27/86/130352786.db2.gz CREOTVCQILLNKU-INIZCTEOSA-N 2 0 299.503 2.730 20 0 CFADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000366764183 130354736 /nfs/dbraw/zinc/35/47/36/130354736.db2.gz UTZPTTDAXJBOCX-LSDHHAIUSA-N 2 0 292.471 2.624 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342308549 130436770 /nfs/dbraw/zinc/43/67/70/130436770.db2.gz HNDVERGTXMTADX-ZIAGYGMSSA-N 2 0 274.343 2.556 20 0 CFADRP Cc1csc(C(C)(C)[NH2+]CCC2CC[NH2+]CC2)n1 ZINC000359218445 130501948 /nfs/dbraw/zinc/50/19/48/130501948.db2.gz LAYBUADRBFRXJE-UHFFFAOYSA-N 2 0 267.442 2.666 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000359318530 130507673 /nfs/dbraw/zinc/50/76/73/130507673.db2.gz YQPYCQHIKIJIGS-MELADBBJSA-N 2 0 266.454 2.917 20 0 CFADRP CC[NH+](CC)CCCN1CC(C)(C)OCC1(C)C ZINC000683141228 542645279 /nfs/dbraw/zinc/64/52/79/542645279.db2.gz RKYKBZXOFZIHNS-UHFFFAOYSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCCN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000683140757 542645334 /nfs/dbraw/zinc/64/53/34/542645334.db2.gz FMYQVALZHJJXMX-INIZCTEOSA-N 2 0 290.455 2.696 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000415017802 533671712 /nfs/dbraw/zinc/67/17/12/533671712.db2.gz AHUVZPSEOCUMND-HDJSIYSDSA-N 2 0 262.397 2.550 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c(OC)c1 ZINC000227329987 130841029 /nfs/dbraw/zinc/84/10/29/130841029.db2.gz MJCNKQKUEXVDLV-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP Cc1ccc(NC(=O)CCCCCC[NH3+])c(C[NH+](C)C)c1 ZINC000237036457 130999510 /nfs/dbraw/zinc/99/95/10/130999510.db2.gz OPUFHPYIYYRNPF-UHFFFAOYSA-N 2 0 291.439 2.904 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccncc1 ZINC000245609853 131088013 /nfs/dbraw/zinc/08/80/13/131088013.db2.gz KXIIYSPLYGUNPQ-CVEARBPZSA-N 2 0 259.397 2.703 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC000249384324 131120979 /nfs/dbraw/zinc/12/09/79/131120979.db2.gz XCTSBUYTKOUMQX-NEPJUHHUSA-N 2 0 268.351 2.957 20 0 CFADRP Oc1ccc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000262274969 131207807 /nfs/dbraw/zinc/20/78/07/131207807.db2.gz SZCCEYHOFYJELT-UHFFFAOYSA-N 2 0 274.408 2.571 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000683357925 542671401 /nfs/dbraw/zinc/67/14/01/542671401.db2.gz YQBTZIZWGOLLJZ-HOTGVXAUSA-N 2 0 288.435 2.969 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)s1 ZINC000683693864 542711347 /nfs/dbraw/zinc/71/13/47/542711347.db2.gz MPZRBUPKKGSEST-LLVKDONJSA-N 2 0 279.453 2.977 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401156943 285506484 /nfs/dbraw/zinc/50/64/84/285506484.db2.gz ROFGQWXDAWIGDY-ANQUJSFKSA-N 2 0 256.393 2.652 20 0 CFADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC000268417200 132006631 /nfs/dbraw/zinc/00/66/31/132006631.db2.gz KGJCGQPOXZVWRC-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP Cc1ccc(C)c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268421187 132006710 /nfs/dbraw/zinc/00/67/10/132006710.db2.gz LNRWOXOXJSIRMO-UHFFFAOYSA-N 2 0 290.451 2.628 20 0 CFADRP COCCC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000268725605 132055824 /nfs/dbraw/zinc/05/58/24/132055824.db2.gz QRNOBOSTVHDIGB-NVXWUHKLSA-N 2 0 276.424 2.666 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000268786079 132066010 /nfs/dbraw/zinc/06/60/10/132066010.db2.gz ZVISEIFLAMNYQN-VBNZEHGJSA-N 2 0 296.842 2.693 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000268843291 132075248 /nfs/dbraw/zinc/07/52/48/132075248.db2.gz NZQSYKZUGMSUQI-KBAYOESNSA-N 2 0 288.435 2.523 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(OC)cc1 ZINC000268865007 132079239 /nfs/dbraw/zinc/07/92/39/132079239.db2.gz ZSWUPRIQTDMBCJ-KRWDZBQOSA-N 2 0 294.439 2.704 20 0 CFADRP COCCOc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000268864757 132079477 /nfs/dbraw/zinc/07/94/77/132079477.db2.gz CKVXQYMFPMUGSI-HUUCEWRRSA-N 2 0 294.439 2.703 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)CC[NH+](C)C ZINC000268995733 132097133 /nfs/dbraw/zinc/09/71/33/132097133.db2.gz KKTQITMCPZRUBZ-SWLSCSKDSA-N 2 0 262.397 2.612 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000269069382 132107336 /nfs/dbraw/zinc/10/73/36/132107336.db2.gz WNDIEUWGTURKLW-JTQLQIEISA-N 2 0 288.844 2.509 20 0 CFADRP C[C@H](C[NH2+]Cc1cc2ccccc2[nH]1)C[NH+]1CCCC1 ZINC000683927557 542745411 /nfs/dbraw/zinc/74/54/11/542745411.db2.gz LEXYXSBSFSZISL-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CCCCCO)CN1Cc1ccccc1 ZINC000684112033 542766827 /nfs/dbraw/zinc/76/68/27/542766827.db2.gz GQLFZRVXVRQXDN-QGZVFWFLSA-N 2 0 290.451 2.792 20 0 CFADRP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000178987851 393450622 /nfs/dbraw/zinc/45/06/22/393450622.db2.gz ZMXMHDLBZSDHPW-HNNXBMFYSA-N 2 0 250.430 2.983 20 0 CFADRP CCCCCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372840191 393457681 /nfs/dbraw/zinc/45/76/81/393457681.db2.gz QRZJAVWLVIGJAU-QGZVFWFLSA-N 2 0 281.488 2.526 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)C[C@H]21 ZINC000299972396 393464888 /nfs/dbraw/zinc/46/48/88/393464888.db2.gz ARGWTMXPGDEPBR-KLHDSHLOSA-N 2 0 278.440 2.537 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000300415884 393467481 /nfs/dbraw/zinc/46/74/81/393467481.db2.gz YSTOOHSDNMEWAS-RRFJBIMHSA-N 2 0 268.445 2.510 20 0 CFADRP CC[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000302108086 393488858 /nfs/dbraw/zinc/48/88/58/393488858.db2.gz AUCJULMHRYXRIY-UHFFFAOYSA-N 2 0 255.365 2.685 20 0 CFADRP Cc1cc(N2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC000302420276 393491751 /nfs/dbraw/zinc/49/17/51/393491751.db2.gz JLHXBMZHEMWPKI-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP CO[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000182126431 393506465 /nfs/dbraw/zinc/50/64/65/393506465.db2.gz UPJLIUMMWVBJDG-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000376756069 393524483 /nfs/dbraw/zinc/52/44/83/393524483.db2.gz PIPUGSRZTWGNFG-XIRDDKMYSA-N 2 0 280.456 2.798 20 0 CFADRP Fc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000037374169 393530971 /nfs/dbraw/zinc/53/09/71/393530971.db2.gz YNGTXTZHYICXGH-UHFFFAOYSA-N 2 0 285.366 2.979 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000037786508 393536035 /nfs/dbraw/zinc/53/60/35/393536035.db2.gz KOEUSSJLELITDB-YCPHGPKFSA-N 2 0 281.488 2.568 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000379196710 393552136 /nfs/dbraw/zinc/55/21/36/393552136.db2.gz JVUAPGIHOCVPHP-HZPDHXFCSA-N 2 0 262.397 2.577 20 0 CFADRP CSCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000186770556 393547862 /nfs/dbraw/zinc/54/78/62/393547862.db2.gz FILRSYHTNUACMI-MGPQQGTHSA-N 2 0 258.475 2.838 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000684376537 542796129 /nfs/dbraw/zinc/79/61/29/542796129.db2.gz CQFBNUSYXAJWGG-OWCLPIDISA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CCC[NH2+]CCC1CCOCC1)Cc1ccccc1 ZINC000381940101 393568050 /nfs/dbraw/zinc/56/80/50/393568050.db2.gz WLDVHVBOGSHYGF-UHFFFAOYSA-N 2 0 290.451 2.915 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000684394962 542799876 /nfs/dbraw/zinc/79/98/76/542799876.db2.gz RADHJEIMGBCWKM-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1 ZINC000684395475 542799950 /nfs/dbraw/zinc/79/99/50/542799950.db2.gz CPSPXXLFNLUJRN-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000188114914 393561108 /nfs/dbraw/zinc/56/11/08/393561108.db2.gz ZFHVZLYFRXTDRK-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000332324696 393562271 /nfs/dbraw/zinc/56/22/71/393562271.db2.gz LCQCGIAYJAERCO-JYJNAYRXSA-N 2 0 268.445 2.567 20 0 CFADRP Cc1c(Br)cccc1C[N@H+](C)CCC[NH3+] ZINC000382074327 393569180 /nfs/dbraw/zinc/56/91/80/393569180.db2.gz ZWSUOAZAVNBSQT-UHFFFAOYSA-N 2 0 271.202 2.538 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCC2CCOCC2)CC[C@H]1[NH3+] ZINC000382101430 393569468 /nfs/dbraw/zinc/56/94/68/393569468.db2.gz LFVVJZDGVMCXEL-HZPDHXFCSA-N 2 0 268.445 2.643 20 0 CFADRP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2[nH+]1 ZINC000382421725 393570696 /nfs/dbraw/zinc/57/06/96/393570696.db2.gz KRJSSEPPNZGEHS-QWHCGFSZSA-N 2 0 255.365 2.647 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000334356151 393596636 /nfs/dbraw/zinc/59/66/36/393596636.db2.gz MKJLUYVWPTXGKU-JKSUJKDBSA-N 2 0 280.456 2.894 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000401861293 393605906 /nfs/dbraw/zinc/60/59/06/393605906.db2.gz IFOAAXFBEPVRSZ-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](CC)C(=O)OCC)CC1 ZINC000075642700 393676981 /nfs/dbraw/zinc/67/69/81/393676981.db2.gz MJNRRBUEJOEVSV-MRXNPFEDSA-N 2 0 298.471 2.772 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403353410 393612970 /nfs/dbraw/zinc/61/29/70/393612970.db2.gz LKUFUXWGNNJTDM-OAGGEKHMSA-N 2 0 250.430 2.744 20 0 CFADRP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)sn1 ZINC000404456515 393619415 /nfs/dbraw/zinc/61/94/15/393619415.db2.gz KAEVPRLQYDUPIX-YHWZYXNKSA-N 2 0 265.426 2.556 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(F)c(F)c1 ZINC000404788153 393621866 /nfs/dbraw/zinc/62/18/66/393621866.db2.gz ZFUIQONKDVMXOG-CKLFPEKLSA-N 2 0 254.324 2.741 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC000334819601 393623836 /nfs/dbraw/zinc/62/38/36/393623836.db2.gz PSLMYRHQLGGSEY-CHWSQXEVSA-N 2 0 262.372 2.572 20 0 CFADRP C[NH+](C/C=C/C[N@@H+](C)Cc1ccco1)Cc1ccco1 ZINC000193738120 393663294 /nfs/dbraw/zinc/66/32/94/393663294.db2.gz PWTVEDDPYAJFDY-ONEGZZNKSA-N 2 0 274.364 2.993 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC2(O)CCC2)C1 ZINC000411116314 393666992 /nfs/dbraw/zinc/66/69/92/393666992.db2.gz RSTSHSGNQPYFIM-DLBZAZTESA-N 2 0 294.483 2.878 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC2(O)CCC2)C1 ZINC000411116317 393667095 /nfs/dbraw/zinc/66/70/95/393667095.db2.gz RSTSHSGNQPYFIM-SJORKVTESA-N 2 0 294.483 2.878 20 0 CFADRP C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411123800 393669788 /nfs/dbraw/zinc/66/97/88/393669788.db2.gz FJSQBPWVXBRFKT-MRXNPFEDSA-N 2 0 288.435 2.893 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000335623209 393684889 /nfs/dbraw/zinc/68/48/89/393684889.db2.gz UNANBQRWTWXQFT-KLAILNCOSA-N 2 0 287.451 2.791 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCCC23CC[NH+](C)CC3)CCO1 ZINC000336413358 393733941 /nfs/dbraw/zinc/73/39/41/393733941.db2.gz RUQLQGGSYPHEFM-JKSUJKDBSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2scnc2C)C1 ZINC000081516651 393734618 /nfs/dbraw/zinc/73/46/18/393734618.db2.gz HPSVFGLYVGCUHD-CQSZACIVSA-N 2 0 281.469 2.658 20 0 CFADRP C[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCC1(F)F ZINC000336499084 393738177 /nfs/dbraw/zinc/73/81/77/393738177.db2.gz QAOLUYRDYVSCMU-CHWSQXEVSA-N 2 0 260.372 2.838 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000088455519 393761817 /nfs/dbraw/zinc/76/18/17/393761817.db2.gz JRSAFRPDVZJYGI-BFQNTYOBSA-N 2 0 250.430 2.741 20 0 CFADRP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000336586819 393742473 /nfs/dbraw/zinc/74/24/73/393742473.db2.gz OKQUOTRTXJKZEJ-WFASDCNBSA-N 2 0 268.470 2.735 20 0 CFADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1(CO)CC1 ZINC000411729742 393744102 /nfs/dbraw/zinc/74/41/02/393744102.db2.gz XGWPWGULUSMFOK-UHFFFAOYSA-N 2 0 288.435 2.629 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)C1(C)C ZINC000085380420 393751894 /nfs/dbraw/zinc/75/18/94/393751894.db2.gz TUONMKJSLSKJAQ-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc[nH]c2)C1 ZINC000086251039 393754286 /nfs/dbraw/zinc/75/42/86/393754286.db2.gz JYVSMIKSCKGCBC-GASCZTMLSA-N 2 0 263.429 2.862 20 0 CFADRP CO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411333392 393701701 /nfs/dbraw/zinc/70/17/01/393701701.db2.gz OOHZEIJPPCEFPF-GOSISDBHSA-N 2 0 288.435 2.893 20 0 CFADRP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000194539547 393704677 /nfs/dbraw/zinc/70/46/77/393704677.db2.gz NXNKLEJYYNUJED-CALCHBBNSA-N 2 0 258.409 2.605 20 0 CFADRP CC(C)COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000194542333 393704883 /nfs/dbraw/zinc/70/48/83/393704883.db2.gz FSFZLPDNKCODMC-CALCHBBNSA-N 2 0 288.435 2.715 20 0 CFADRP C[C@H]([NH+](C)CC(O)C[N@@H+](C)[C@@H](C)C1(C)CC1)C1(C)CC1 ZINC000194625072 393709474 /nfs/dbraw/zinc/70/94/74/393709474.db2.gz ZZKJEPFTHYFISJ-KBPBESRZSA-N 2 0 282.472 2.588 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2F)[C@H](C)C1 ZINC000081096048 393731065 /nfs/dbraw/zinc/73/10/65/393731065.db2.gz ZIIYHEXERVAPLS-ZBFHGGJFSA-N 2 0 294.414 2.867 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000337412294 393763946 /nfs/dbraw/zinc/76/39/46/393763946.db2.gz WZSQOGUURRFRGB-UKRRQHHQSA-N 2 0 280.460 2.890 20 0 CFADRP CC(C)[C@@H](C[NH2+]CC1CCCCCC1)N1CC[NH+](C)CC1 ZINC000089559983 393768233 /nfs/dbraw/zinc/76/82/33/393768233.db2.gz JIGMWJWYRWIVHH-GOSISDBHSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)CC[N@@H+]1C ZINC000229664176 393777550 /nfs/dbraw/zinc/77/75/50/393777550.db2.gz SUUVTNDPMYBXIV-WFASDCNBSA-N 2 0 257.381 2.740 20 0 CFADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179841 393836963 /nfs/dbraw/zinc/83/69/63/393836963.db2.gz XXYBFCWRRFZXSZ-ROUUACIJSA-N 2 0 289.467 2.753 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2cccnc2)CN1C1CC1 ZINC000414344776 393800096 /nfs/dbraw/zinc/80/00/96/393800096.db2.gz ZSXHPEOLKVUOAG-UKRRQHHQSA-N 2 0 273.424 2.574 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414334824 393800188 /nfs/dbraw/zinc/80/01/88/393800188.db2.gz NSQCOLHKVHGSML-TUVASFSCSA-N 2 0 282.472 2.898 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCC(F)(F)F)[C@@H](C)C1 ZINC000245417703 393803207 /nfs/dbraw/zinc/80/32/07/393803207.db2.gz GFANZQOADZYYIM-QWHCGFSZSA-N 2 0 296.377 2.618 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC[NH2+]1 ZINC000414749203 393803579 /nfs/dbraw/zinc/80/35/79/393803579.db2.gz XVBXOPZRTAOKAS-GJZGRUSLSA-N 2 0 270.420 2.922 20 0 CFADRP CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414755062 393803584 /nfs/dbraw/zinc/80/35/84/393803584.db2.gz OOXHGKVBICMOAD-GJZGRUSLSA-N 2 0 256.434 2.641 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414758194 393803764 /nfs/dbraw/zinc/80/37/64/393803764.db2.gz MHCBHSSLNQNVPA-PMPSAXMXSA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424250273 393804163 /nfs/dbraw/zinc/80/41/63/393804163.db2.gz BHHALUOBVSEMOW-OAHLLOKOSA-N 2 0 289.448 2.968 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000424248519 393804579 /nfs/dbraw/zinc/80/45/79/393804579.db2.gz VCOCHYPSJMDTNW-AWEZNQCLSA-N 2 0 289.423 2.657 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)C[NH3+])CC3 ZINC000414870228 393807266 /nfs/dbraw/zinc/80/72/66/393807266.db2.gz BRPKKGPGSXLOKC-STQMWFEESA-N 2 0 271.408 2.518 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414937327 393808375 /nfs/dbraw/zinc/80/83/75/393808375.db2.gz VMPSRAKBUTUADN-GDBMZVCRSA-N 2 0 261.413 2.609 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424271545 393809689 /nfs/dbraw/zinc/80/96/89/393809689.db2.gz SDVIOQQAEVDUFR-UUAJXVIYSA-N 2 0 280.456 2.512 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(CC)CC ZINC000245937246 393839703 /nfs/dbraw/zinc/83/97/03/393839703.db2.gz UDPDMABIRQMRRX-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415016147 393810296 /nfs/dbraw/zinc/81/02/96/393810296.db2.gz ZUIIIXBPPSXEGI-QCEMKRCNSA-N 2 0 250.430 2.790 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424276144 393811175 /nfs/dbraw/zinc/81/11/75/393811175.db2.gz YEJBUBKMGXBBQW-ZOFXXKQRSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000415053295 393811227 /nfs/dbraw/zinc/81/12/27/393811227.db2.gz MKRBVYPHBSYDDW-VGAKTEPXSA-N 2 0 293.499 2.617 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340227581 393837981 /nfs/dbraw/zinc/83/79/81/393837981.db2.gz BGCJTIPVISIWQQ-YQVWRLOYSA-N 2 0 299.462 2.648 20 0 CFADRP CC[N@@H+](Cc1ccccn1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424298359 393816659 /nfs/dbraw/zinc/81/66/59/393816659.db2.gz IPZLDBXFHXKBJM-OAHLLOKOSA-N 2 0 287.382 2.785 20 0 CFADRP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345715176 393914295 /nfs/dbraw/zinc/91/42/95/393914295.db2.gz MBCBYNKXRIDZOP-RDJZCZTQSA-N 2 0 297.487 2.522 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000459723579 393886115 /nfs/dbraw/zinc/88/61/15/393886115.db2.gz AERAQXHSHVCXRB-HNNXBMFYSA-N 3 0 281.488 2.571 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000246824568 393886491 /nfs/dbraw/zinc/88/64/91/393886491.db2.gz BJBCQNGHXMWKIR-XJNFMUPTSA-N 2 0 276.424 2.692 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246926946 393889854 /nfs/dbraw/zinc/88/98/54/393889854.db2.gz JHOFHNRNWGDQFW-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccnc1 ZINC000247059878 393892638 /nfs/dbraw/zinc/89/26/38/393892638.db2.gz MNEZPEUEHRBEEZ-UAGQMJEPSA-N 2 0 275.440 2.894 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000424380625 393841577 /nfs/dbraw/zinc/84/15/77/393841577.db2.gz XGRWADHARBFGLX-DAXOMENPSA-N 2 0 262.397 2.924 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000246018820 393843030 /nfs/dbraw/zinc/84/30/30/393843030.db2.gz JNCVSHJXHBOEMC-HUUCEWRRSA-N 2 0 278.444 2.583 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1nccn1C ZINC000246067801 393845277 /nfs/dbraw/zinc/84/52/77/393845277.db2.gz SHEWWYWDWKUEKP-HZPDHXFCSA-N 2 0 292.471 2.973 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248455672 393909662 /nfs/dbraw/zinc/90/96/62/393909662.db2.gz RPMCZSSBAKYPHV-ZFWWWQNUSA-N 2 0 278.371 2.723 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471772877 393914621 /nfs/dbraw/zinc/91/46/21/393914621.db2.gz QDZPFHJWQQHURL-OCCSQVGLSA-N 2 0 298.377 2.760 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000119934961 393927456 /nfs/dbraw/zinc/92/74/56/393927456.db2.gz DTTJAHSDYWXQPX-XBVQOTNRSA-N 2 0 258.409 2.720 20 0 CFADRP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000474480564 393943805 /nfs/dbraw/zinc/94/38/05/393943805.db2.gz DTWFCHPLCULPNJ-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)c1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000259022291 393946296 /nfs/dbraw/zinc/94/62/96/393946296.db2.gz OCBJSSLOZUHSJV-MRXNPFEDSA-N 2 0 260.425 2.942 20 0 CFADRP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000261590059 393948225 /nfs/dbraw/zinc/94/82/25/393948225.db2.gz WRYZCQFUIDFPLP-BYNSBNAKSA-N 2 0 268.470 2.640 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000352967010 394023247 /nfs/dbraw/zinc/02/32/47/394023247.db2.gz KOKSVHSUMNHOCV-DFBGVHRSSA-N 2 0 278.371 2.579 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000477925769 393965425 /nfs/dbraw/zinc/96/54/25/393965425.db2.gz JJHKVEAOYRYUDE-XOYOTBSWSA-N 2 0 288.435 2.694 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000122672575 393970613 /nfs/dbraw/zinc/97/06/13/393970613.db2.gz JHYJKQKEUKNTLY-UHFFFAOYSA-N 2 0 250.430 2.887 20 0 CFADRP C[NH2+]C[C@H]1CCCN1CCOc1cccc2ccccc21 ZINC000430564175 393993681 /nfs/dbraw/zinc/99/36/81/393993681.db2.gz AVMDYVJFNMLUGO-MRXNPFEDSA-N 2 0 284.403 2.902 20 0 CFADRP Cc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)c2ccccc2n1 ZINC000430589511 393997270 /nfs/dbraw/zinc/99/72/70/393997270.db2.gz DSDAWJKZIZGJCX-QGZVFWFLSA-N 2 0 269.392 2.760 20 0 CFADRP [NH3+]CCCOC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000430598253 393998395 /nfs/dbraw/zinc/99/83/95/393998395.db2.gz SGSMVTKCUVHCFO-KRWDZBQOSA-N 2 0 292.398 2.643 20 0 CFADRP Cc1cc(N2CCC[N@@H+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000269031660 393999926 /nfs/dbraw/zinc/99/99/26/393999926.db2.gz RUBFSTAOXZTKER-UHFFFAOYSA-N 2 0 273.355 2.824 20 0 CFADRP CC(C)(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]([NH3+])c1ccccc1 ZINC000417817374 394004132 /nfs/dbraw/zinc/00/41/32/394004132.db2.gz VMUQQHFUYXRHAZ-MRXNPFEDSA-N 2 0 297.402 2.810 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000430715586 394006806 /nfs/dbraw/zinc/00/68/06/394006806.db2.gz SNHHFPFIBLKDTE-BSDSXHPESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCC[N@H+](C)CCOC ZINC000354215608 394043735 /nfs/dbraw/zinc/04/37/35/394043735.db2.gz FKNYUGVKMAFXKP-OAGGEKHMSA-N 2 0 270.461 2.759 20 0 CFADRP C1CCC2(C1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000128125750 394063850 /nfs/dbraw/zinc/06/38/50/394063850.db2.gz YKJGQPODNPQSBJ-ARFHVFGLSA-N 2 0 278.440 2.695 20 0 CFADRP [NH3+]CCOCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000357094417 394084800 /nfs/dbraw/zinc/08/48/00/394084800.db2.gz ZOGAFMAXXBJPNI-KRWDZBQOSA-N 2 0 274.408 2.504 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281881744 394088097 /nfs/dbraw/zinc/08/80/97/394088097.db2.gz GHLYCWDOUYLBRL-STQMWFEESA-N 2 0 271.408 2.565 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358055555 394095411 /nfs/dbraw/zinc/09/54/11/394095411.db2.gz BVLJMLGWPQCVAI-QWQRMKEZSA-N 2 0 272.436 2.720 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000281937815 394097714 /nfs/dbraw/zinc/09/77/14/394097714.db2.gz KWMNSMWTUQPKLA-ZDUSSCGKSA-N 2 0 271.408 2.567 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)CCO3)C[C@H]1C ZINC000353744675 394035983 /nfs/dbraw/zinc/03/59/83/394035983.db2.gz HAROVGSHCODZIW-RHSMWYFYSA-N 2 0 288.435 2.926 20 0 CFADRP COc1cccc(OC)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000286044639 394183585 /nfs/dbraw/zinc/18/35/85/394183585.db2.gz QWROXCFJECJVRV-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000361947269 394178882 /nfs/dbraw/zinc/17/88/82/394178882.db2.gz REOQARVSXBVRQC-ZIAGYGMSSA-N 2 0 256.459 2.590 20 0 CFADRP C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000420304374 394116582 /nfs/dbraw/zinc/11/65/82/394116582.db2.gz OJAGZSXCBPJHQA-DOTOQJQBSA-N 2 0 280.456 2.800 20 0 CFADRP CCC(C)(C)CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326726 394116590 /nfs/dbraw/zinc/11/65/90/394116590.db2.gz KOLNCNAFFNQSIY-CQSZACIVSA-N 2 0 268.445 2.500 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420375282 394118380 /nfs/dbraw/zinc/11/83/80/394118380.db2.gz PCEVMJWQNNBBMI-HOTGVXAUSA-N 2 0 290.455 2.820 20 0 CFADRP C[C@H]1CC[N@H+](CCOC2CCCCCC2)C[C@@H]1C[NH3+] ZINC000420410153 394119486 /nfs/dbraw/zinc/11/94/86/394119486.db2.gz RDCKQYJQAHFPDM-GJZGRUSLSA-N 2 0 268.445 2.643 20 0 CFADRP Fc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420399356 394119649 /nfs/dbraw/zinc/11/96/49/394119649.db2.gz NZENXHIFENNAEA-RHSMWYFYSA-N 2 0 292.398 2.669 20 0 CFADRP CN(Cc1ccccc1)[C@@H](C[NH2+]CC1(C)COC1)C1CC1 ZINC000286017194 394180162 /nfs/dbraw/zinc/18/01/62/394180162.db2.gz PRBVTSRABVHGCM-KRWDZBQOSA-N 2 0 288.435 2.523 20 0 CFADRP C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)C1CC[NH2+]CC1 ZINC000359212288 394126777 /nfs/dbraw/zinc/12/67/77/394126777.db2.gz GTLINSUKZIRCJA-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000359384823 394131580 /nfs/dbraw/zinc/13/15/80/394131580.db2.gz UOGRJIPGCCVEFQ-IUODEOHRSA-N 2 0 266.816 2.812 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420955053 394138058 /nfs/dbraw/zinc/13/80/58/394138058.db2.gz XBUBGRNMRHTYPL-CALCHBBNSA-N 2 0 282.472 2.591 20 0 CFADRP CC(C)[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000132365035 394153362 /nfs/dbraw/zinc/15/33/62/394153362.db2.gz YBJQIXZKQGFGQZ-BZSNNMDCSA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@]1(C)CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000361409793 394172336 /nfs/dbraw/zinc/17/23/36/394172336.db2.gz IZHDRZDNKWUODD-JKSUJKDBSA-N 2 0 268.445 2.752 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422769134 394255619 /nfs/dbraw/zinc/25/56/19/394255619.db2.gz UMZMWSUEPCCBEJ-TWMKSMIVSA-N 2 0 295.515 2.993 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)[C@@H](C)C1 ZINC000363787293 394200360 /nfs/dbraw/zinc/20/03/60/394200360.db2.gz UIUDZVMUPUVEAO-YOEHRIQHSA-N 2 0 298.434 2.897 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000421376447 394208086 /nfs/dbraw/zinc/20/80/86/394208086.db2.gz HBNVMUXJNWVEGN-RDJZCZTQSA-N 2 0 289.423 2.598 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC23CCSCC3)CC1 ZINC000421384970 394214446 /nfs/dbraw/zinc/21/44/46/394214446.db2.gz QABCJIXIWHCEDI-AWEZNQCLSA-N 2 0 282.497 2.982 20 0 CFADRP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000449121215 394220052 /nfs/dbraw/zinc/22/00/52/394220052.db2.gz GMMKFCJJJORURF-RCCFBDPRSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000449124298 394221008 /nfs/dbraw/zinc/22/10/08/394221008.db2.gz FZMLHNGKNONRFO-CORIIIEPSA-N 2 0 275.396 2.552 20 0 CFADRP COCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000449130555 394222733 /nfs/dbraw/zinc/22/27/33/394222733.db2.gz HBSWWCDSKKTDDH-AQFXKWCLSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H]([NH2+]CC1(CCOC)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422889191 394257376 /nfs/dbraw/zinc/25/73/76/394257376.db2.gz OXSFUBZQEGLXTR-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000449132245 394223682 /nfs/dbraw/zinc/22/36/82/394223682.db2.gz SYEMKASAIKIHDQ-ZDUSSCGKSA-N 2 0 250.386 2.532 20 0 CFADRP C[C@H](Cc1ccoc1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000449132244 394223703 /nfs/dbraw/zinc/22/37/03/394223703.db2.gz SYEMKASAIKIHDQ-CYBMUJFWSA-N 2 0 250.386 2.532 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422887344 394258215 /nfs/dbraw/zinc/25/82/15/394258215.db2.gz KOEXZALGYYOFNW-WBVHZDCISA-N 2 0 298.434 2.706 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)[C@@H](C)O1 ZINC000449157713 394234261 /nfs/dbraw/zinc/23/42/61/394234261.db2.gz WIUVEYDYWJVMNU-XHBSWPGZSA-N 2 0 280.387 2.543 20 0 CFADRP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000422915388 394258606 /nfs/dbraw/zinc/25/86/06/394258606.db2.gz XYGKALSTAHYOIJ-QWHCGFSZSA-N 2 0 274.412 2.834 20 0 CFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000449183276 394245435 /nfs/dbraw/zinc/24/54/35/394245435.db2.gz BYXOLBBEEUEUPL-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000421840448 394246077 /nfs/dbraw/zinc/24/60/77/394246077.db2.gz ZEHSRFRDXZHIGG-BRWVUGGUSA-N 2 0 287.451 2.791 20 0 CFADRP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449187774 394247342 /nfs/dbraw/zinc/24/73/42/394247342.db2.gz MXGSVEZYHXXMHZ-ZDUSSCGKSA-N 2 0 297.487 2.519 20 0 CFADRP CC[C@H]([NH2+]CCc1c(C)cccc1C)[C@@H]1CCC[NH2+]1 ZINC000422946634 394259234 /nfs/dbraw/zinc/25/92/34/394259234.db2.gz WWKMLBMWSDONJD-IRXDYDNUSA-N 2 0 260.425 2.966 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367627498 394259358 /nfs/dbraw/zinc/25/93/58/394259358.db2.gz TYUGSILZVINORQ-XHSDSOJGSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C[NH3+] ZINC000422563439 394252756 /nfs/dbraw/zinc/25/27/56/394252756.db2.gz SWJUMVMAYRTVOH-WWGRRREGSA-N 2 0 299.418 2.746 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1C(F)(F)F ZINC000422730700 394253948 /nfs/dbraw/zinc/25/39/48/394253948.db2.gz FHOUJVCMDNBJDD-QWRGUYRKSA-N 2 0 274.330 2.963 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])C1(C)C ZINC000422756960 394254411 /nfs/dbraw/zinc/25/44/11/394254411.db2.gz CSBWGHIDVQNJKV-YHUYYLMFSA-N 2 0 282.472 2.933 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000449218416 394254901 /nfs/dbraw/zinc/25/49/01/394254901.db2.gz IAVBZPDVMCSZFF-RCCFBDPRSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422777321 394255579 /nfs/dbraw/zinc/25/55/79/394255579.db2.gz FIMBGUXHLKFHOD-GOEBONIOSA-N 2 0 260.425 2.990 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccccc1OC(F)F ZINC000423074255 394264142 /nfs/dbraw/zinc/26/41/42/394264142.db2.gz UEPPOQGQISAWOR-WDEREUQCSA-N 2 0 272.339 2.546 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423075585 394264166 /nfs/dbraw/zinc/26/41/66/394264166.db2.gz OVRAIONPHLWWKD-MXWKQRLJSA-N 2 0 252.324 2.838 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCc1ccccc1OC(F)F ZINC000423074254 394264242 /nfs/dbraw/zinc/26/42/42/394264242.db2.gz UEPPOQGQISAWOR-QWRGUYRKSA-N 2 0 272.339 2.546 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000423075200 394264280 /nfs/dbraw/zinc/26/42/80/394264280.db2.gz WFTGWFGIMUTQMU-LTDKPHRXSA-N 2 0 290.451 2.740 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423081351 394266192 /nfs/dbraw/zinc/26/61/92/394266192.db2.gz BJHRSKHZYQYCRU-RYRKJORJSA-N 2 0 287.451 2.633 20 0 CFADRP COCCCC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000423086756 394267564 /nfs/dbraw/zinc/26/75/64/394267564.db2.gz NYGQTWNBWNRDLY-WMLDXEAASA-N 2 0 276.424 2.742 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423089949 394268321 /nfs/dbraw/zinc/26/83/21/394268321.db2.gz WGLYAKGWLDAREN-GNCDUGFZSA-N 2 0 292.398 2.545 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423089963 394268445 /nfs/dbraw/zinc/26/84/45/394268445.db2.gz WGLYAKGWLDAREN-UQCMEYCASA-N 2 0 292.398 2.545 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CCC1 ZINC000423087887 394268535 /nfs/dbraw/zinc/26/85/35/394268535.db2.gz OXGDPCHCJCSDIC-NSHDSACASA-N 2 0 279.453 2.785 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000423092681 394269303 /nfs/dbraw/zinc/26/93/03/394269303.db2.gz DAGHPPKBOYHTNA-NXEZZACHSA-N 2 0 286.217 2.622 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000423091073 394269530 /nfs/dbraw/zinc/26/95/30/394269530.db2.gz ZDOSMMNWQLKAQX-GFCCVEGCSA-N 2 0 259.397 2.704 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423127053 394271178 /nfs/dbraw/zinc/27/11/78/394271178.db2.gz SRGVYJRBRNOQDH-ZBFHGGJFSA-N 2 0 278.440 2.597 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCCC1 ZINC000423147789 394272258 /nfs/dbraw/zinc/27/22/58/394272258.db2.gz DKIMIJRHKGSQDP-GVDBMIGSSA-N 2 0 280.456 2.704 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1CCO ZINC000449388724 394274732 /nfs/dbraw/zinc/27/47/32/394274732.db2.gz AYAGOVAYMQFYDW-HZPDHXFCSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1nc2ccccc2n1C ZINC000423256513 394274992 /nfs/dbraw/zinc/27/49/92/394274992.db2.gz FLGNFCBEQIPBAI-KBPBESRZSA-N 2 0 286.423 2.614 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000423257278 394275005 /nfs/dbraw/zinc/27/50/05/394275005.db2.gz IMRJHJHJBSSAAJ-RRFJBIMHSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423401428 394279555 /nfs/dbraw/zinc/27/95/55/394279555.db2.gz WDMDOLRXRDYMHK-DLOVCJGASA-N 2 0 253.777 2.656 20 0 CFADRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423447305 394282204 /nfs/dbraw/zinc/28/22/04/394282204.db2.gz UIBJRAZZBRPHTM-OKZBNKHCSA-N 2 0 270.420 2.960 20 0 CFADRP CC(C)[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000153402407 394283183 /nfs/dbraw/zinc/28/31/83/394283183.db2.gz GVFKMTPLDWGDJQ-KZNAEPCWSA-N 3 0 295.515 2.815 20 0 CFADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423480475 394283461 /nfs/dbraw/zinc/28/34/61/394283461.db2.gz WACLGSWJBIOERU-ZIBATOQPSA-N 2 0 257.381 2.871 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@H]1OC ZINC000423483999 394283514 /nfs/dbraw/zinc/28/35/14/394283514.db2.gz QPCIULIBZZUKAG-RRFJBIMHSA-N 2 0 268.445 2.702 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(F)c1 ZINC000423507442 394285378 /nfs/dbraw/zinc/28/53/78/394285378.db2.gz MRSGFJLCESUDJY-GLQYFDAESA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(F)c1F ZINC000423506864 394285460 /nfs/dbraw/zinc/28/54/60/394285460.db2.gz MLRZXUAVZKLPNP-AXFHLTTASA-N 2 0 254.324 2.743 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000423508057 394285547 /nfs/dbraw/zinc/28/55/47/394285547.db2.gz NIGJGWGCRHYWGI-DFBGVHRSSA-N 2 0 282.815 2.745 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(C(=O)OC)cc1 ZINC000423509896 394286523 /nfs/dbraw/zinc/28/65/23/394286523.db2.gz OVJZBPNCXQMSLH-KCXAZCMYSA-N 2 0 290.407 2.641 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000423521751 394289196 /nfs/dbraw/zinc/28/91/96/394289196.db2.gz SYALELLGGJKUIT-ZLPCBKJTSA-N 2 0 287.451 2.554 20 0 CFADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423520198 394289238 /nfs/dbraw/zinc/28/92/38/394289238.db2.gz QZPZWWGZSSZEBO-SJORKVTESA-N 2 0 298.434 2.867 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC000153672551 394289375 /nfs/dbraw/zinc/28/93/75/394289375.db2.gz COAWMJCRBFNNFI-NSHDSACASA-N 2 0 252.324 2.603 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000423522102 394289364 /nfs/dbraw/zinc/28/93/64/394289364.db2.gz XINXOUBRARPQFS-JBLDHEPKSA-N 2 0 283.803 2.522 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)CCC2 ZINC000423521200 394289483 /nfs/dbraw/zinc/28/94/83/394289483.db2.gz GAIJYYMJYJZTRM-CYBMUJFWSA-N 2 0 258.409 2.968 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1C ZINC000153770674 394292313 /nfs/dbraw/zinc/29/23/13/394292313.db2.gz KNBVDHHUXXKBMJ-OAHLLOKOSA-N 2 0 264.413 2.614 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2sccc21 ZINC000153771284 394292719 /nfs/dbraw/zinc/29/27/19/394292719.db2.gz GMDKMVXFXLYCFK-AWEZNQCLSA-N 2 0 282.453 2.683 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423536364 394292970 /nfs/dbraw/zinc/29/29/70/394292970.db2.gz HMMDNAKKNNAPSV-AWEZNQCLSA-N 2 0 273.424 2.713 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000423535716 394293147 /nfs/dbraw/zinc/29/31/47/394293147.db2.gz FHAVUQKFSZWUOZ-CYBMUJFWSA-N 2 0 272.392 2.677 20 0 CFADRP COC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423535657 394293348 /nfs/dbraw/zinc/29/33/48/394293348.db2.gz DYJMVAJBCABXJI-MRXNPFEDSA-N 2 0 294.826 2.927 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000423540358 394293712 /nfs/dbraw/zinc/29/37/12/394293712.db2.gz DKDLGGYMCGDBQA-MPTQWLOMSA-N 2 0 260.381 2.678 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1(C)C ZINC000423537161 394293773 /nfs/dbraw/zinc/29/37/73/394293773.db2.gz BWKDWNUAWCMUAQ-OVYGPGRDSA-N 2 0 294.483 2.804 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423540107 394293963 /nfs/dbraw/zinc/29/39/63/394293963.db2.gz CXCLYPVLLVTNBJ-WRQOLXDDSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423539333 394294279 /nfs/dbraw/zinc/29/42/79/394294279.db2.gz BFSVFXQHOVCDHF-LAVFITLUSA-N 2 0 287.451 2.771 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1 ZINC000423541911 394294822 /nfs/dbraw/zinc/29/48/22/394294822.db2.gz AGRGVFPDXPCRMA-CYBMUJFWSA-N 2 0 260.381 2.656 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423548542 394295454 /nfs/dbraw/zinc/29/54/54/394295454.db2.gz GROQSFWGOJAKDG-INIZCTEOSA-N 2 0 260.356 2.712 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423547185 394295635 /nfs/dbraw/zinc/29/56/35/394295635.db2.gz FVZPOEAODPSWNS-ZBFHGGJFSA-N 2 0 261.413 2.525 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423550378 394296564 /nfs/dbraw/zinc/29/65/64/394296564.db2.gz IHBFCSGMMJIORC-YCPHGPKFSA-N 2 0 276.424 2.919 20 0 CFADRP COCC[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371107738 394297707 /nfs/dbraw/zinc/29/77/07/394297707.db2.gz PGJZJEAZWGATKF-QGZVFWFLSA-N 2 0 276.424 2.619 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)s1 ZINC000423574484 394298968 /nfs/dbraw/zinc/29/89/68/394298968.db2.gz ZXARCISGXDBEQI-SNVBAGLBSA-N 2 0 265.426 2.720 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)[C@H](C)C1 ZINC000155140528 394311013 /nfs/dbraw/zinc/31/10/13/394311013.db2.gz OHBDMNUHANHHIF-HLPPOEQASA-N 2 0 268.445 2.510 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155147065 394311487 /nfs/dbraw/zinc/31/14/87/394311487.db2.gz JJOFGVSCEGBGBY-XMTFNYHQSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000423779727 394317932 /nfs/dbraw/zinc/31/79/32/394317932.db2.gz FULXOXBFLFRBBC-XJKSGUPXSA-N 2 0 291.439 2.615 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000155691437 394321663 /nfs/dbraw/zinc/32/16/63/394321663.db2.gz OWXZKFIAJXUJRT-QLFBSQMISA-N 2 0 256.434 2.510 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493924423 394336619 /nfs/dbraw/zinc/33/66/19/394336619.db2.gz HSJZRHHXGVKGMD-WWDZGPRUSA-N 2 0 288.435 2.666 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493943964 394337284 /nfs/dbraw/zinc/33/72/84/394337284.db2.gz GOORRJWMPNWXOB-UHFFFAOYSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1C[N@H+](C)C[C@@H]1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453361611 394390796 /nfs/dbraw/zinc/39/07/96/394390796.db2.gz KSCFVHXSJMSLNF-CVEARBPZSA-N 2 0 295.515 2.769 20 0 CFADRP COCC(C)(C)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000494175765 394343111 /nfs/dbraw/zinc/34/31/11/394343111.db2.gz KTOXLKAAWWAMOT-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000157418782 394345276 /nfs/dbraw/zinc/34/52/76/394345276.db2.gz QZRLXOXPFHPUME-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ccncc2)C1 ZINC000450998968 394345464 /nfs/dbraw/zinc/34/54/64/394345464.db2.gz BMWZSVOWCYBXCQ-IRXDYDNUSA-N 2 0 273.424 2.745 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]Cc2cncc(F)c2)ccc1F ZINC000494580639 394358612 /nfs/dbraw/zinc/35/86/12/394358612.db2.gz RCAGWSCIDMVARI-UHFFFAOYSA-N 2 0 291.345 2.711 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cncc(F)c1 ZINC000494611108 394360289 /nfs/dbraw/zinc/36/02/89/394360289.db2.gz HVELOSVKBGHRNK-AWEZNQCLSA-N 2 0 279.403 2.965 20 0 CFADRP Cc1cccc([C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000158989382 394362766 /nfs/dbraw/zinc/36/27/66/394362766.db2.gz BIDFQYXGQZTNES-FUHWJXTLSA-N 2 0 290.451 2.738 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164715889 394369485 /nfs/dbraw/zinc/36/94/85/394369485.db2.gz GRQWLPIUSBMGEV-HSMVNMDESA-N 2 0 282.378 2.826 20 0 CFADRP COc1cccc(C2([NH2+]Cc3cnc(C)n3C)CC2)c1 ZINC000519716513 394376363 /nfs/dbraw/zinc/37/63/63/394376363.db2.gz ULWQXJZGQIBVPA-UHFFFAOYSA-N 2 0 271.364 2.516 20 0 CFADRP COC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000173748685 394376617 /nfs/dbraw/zinc/37/66/17/394376617.db2.gz DTOGVXHHSFYXOM-PMPSAXMXSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453385712 394393923 /nfs/dbraw/zinc/39/39/23/394393923.db2.gz DHVIXARNYIXORS-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000520406900 394380779 /nfs/dbraw/zinc/38/07/79/394380779.db2.gz UOQITBQCUPOOLT-KRWDZBQOSA-N 2 0 258.409 2.879 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CC1 ZINC000453387010 394394269 /nfs/dbraw/zinc/39/42/69/394394269.db2.gz AQIZOYXZBZMVGD-IXDOHACOSA-N 2 0 292.467 2.798 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000521859073 394381500 /nfs/dbraw/zinc/38/15/00/394381500.db2.gz XNXBZOVEWUNTCY-CABCVRRESA-N 2 0 268.351 2.757 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000527298429 394385031 /nfs/dbraw/zinc/38/50/31/394385031.db2.gz WVYRCRPEJIRKIO-MRXNPFEDSA-N 2 0 268.445 2.608 20 0 CFADRP CC/C=C\C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000453333893 394386758 /nfs/dbraw/zinc/38/67/58/394386758.db2.gz WYUHVWKAPUCZDA-JTUDCUDASA-N 2 0 268.445 2.679 20 0 CFADRP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000178242402 394386888 /nfs/dbraw/zinc/38/68/88/394386888.db2.gz FVMVPOUBMCOCAB-HNNXBMFYSA-N 2 0 293.499 2.713 20 0 CFADRP CCCC[C@@H](COC)[NH2+]CCC[NH+]1CCCCC1 ZINC000178410585 394387885 /nfs/dbraw/zinc/38/78/85/394387885.db2.gz NOZSMMOVSBXAMO-HNNXBMFYSA-N 2 0 256.434 2.657 20 0 CFADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccnc1 ZINC000453348744 394389130 /nfs/dbraw/zinc/38/91/30/394389130.db2.gz LHHFLBMQGDJCMV-HMQMGEFJSA-N 2 0 273.424 2.994 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393182 394395649 /nfs/dbraw/zinc/39/56/49/394395649.db2.gz FNWLSTKHAMNZHG-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527649714 394396025 /nfs/dbraw/zinc/39/60/25/394396025.db2.gz QSIYZALBCZTUKO-VDERGJSUSA-N 2 0 250.430 2.741 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453408449 394399041 /nfs/dbraw/zinc/39/90/41/394399041.db2.gz GPXLQOFSUPTVRF-WCQYABFASA-N 2 0 260.372 2.742 20 0 CFADRP FC1(F)CC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000453429403 394402824 /nfs/dbraw/zinc/40/28/24/394402824.db2.gz QNWVGRMCTVKJJL-QWHCGFSZSA-N 2 0 258.356 2.638 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cccs2)C1 ZINC000685455214 542916324 /nfs/dbraw/zinc/91/63/24/542916324.db2.gz JQTGGPLDNNWIDB-ZIAGYGMSSA-N 2 0 266.454 2.999 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCN1C1CCCC1 ZINC000528003670 394437602 /nfs/dbraw/zinc/43/76/02/394437602.db2.gz UHAQWTIHJNZKIV-HZPDHXFCSA-N 2 0 278.440 2.552 20 0 CFADRP COc1ccccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527805296 394410179 /nfs/dbraw/zinc/41/01/79/394410179.db2.gz GLLQPQWGSXEXMG-MRXNPFEDSA-N 2 0 274.408 2.802 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)C[NH+]1CCCCC1 ZINC000527847508 394416254 /nfs/dbraw/zinc/41/62/54/394416254.db2.gz HZSNMHANEKTNMV-QLFBSQMISA-N 2 0 250.430 2.887 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527857502 394417894 /nfs/dbraw/zinc/41/78/94/394417894.db2.gz CDWOUXDOBLRROA-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000529670597 394419380 /nfs/dbraw/zinc/41/93/80/394419380.db2.gz VDGZJXOGIQYOJV-PBHICJAKSA-N 2 0 288.435 2.930 20 0 CFADRP Cn1cc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2n1 ZINC000527964966 394433027 /nfs/dbraw/zinc/43/30/27/394433027.db2.gz WAQFEWUBAWPRQJ-RYRKJORJSA-N 2 0 298.434 2.536 20 0 CFADRP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000530179193 394473210 /nfs/dbraw/zinc/47/32/10/394473210.db2.gz QLHJQRQELFYOJW-NJAFHUGGSA-N 2 0 299.462 2.524 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@H]2CCCOC2)c2ccccc21 ZINC000530207258 394479899 /nfs/dbraw/zinc/47/98/99/394479899.db2.gz CUEAWCXOHPVYDN-WQVCFCJDSA-N 2 0 260.381 2.538 20 0 CFADRP COCCC1CC[NH+]([C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000530209454 394480945 /nfs/dbraw/zinc/48/09/45/394480945.db2.gz HTUCYWFJHIMNTR-IRXDYDNUSA-N 2 0 274.408 2.880 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)OCC ZINC000530208623 394481017 /nfs/dbraw/zinc/48/10/17/394481017.db2.gz GEEVKBJAWJNZKS-DAXOMENPSA-N 2 0 262.397 2.926 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530213530 394483169 /nfs/dbraw/zinc/48/31/69/394483169.db2.gz ADNCFOBDHZHUPA-HOCLYGCPSA-N 2 0 273.424 2.667 20 0 CFADRP CC1(C)CC(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000530218570 394486359 /nfs/dbraw/zinc/48/63/59/394486359.db2.gz CVEGDUYKVJCBGM-HUUCEWRRSA-N 2 0 250.430 2.744 20 0 CFADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000530220135 394487058 /nfs/dbraw/zinc/48/70/58/394487058.db2.gz SBYDDKWEZYXZKJ-SJORKVTESA-N 2 0 294.414 2.587 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240193 394494322 /nfs/dbraw/zinc/49/43/22/394494322.db2.gz AQMJHBCEXJUJBY-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)(C)CCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243459 394494874 /nfs/dbraw/zinc/49/48/74/394494874.db2.gz YKJOFOWYUMXIDW-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249664 394496478 /nfs/dbraw/zinc/49/64/78/394496478.db2.gz XKAJBXTUNHLVIG-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc([C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)C2CC2)cn1 ZINC000528042117 394441686 /nfs/dbraw/zinc/44/16/86/394441686.db2.gz DAOJYQGYYGSVBG-XGWLTEMNSA-N 2 0 289.423 2.614 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000536629674 394564004 /nfs/dbraw/zinc/56/40/04/394564004.db2.gz GVKIAXUIVXZOSY-UHFFFAOYSA-N 2 0 279.453 2.794 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000536263546 394554345 /nfs/dbraw/zinc/55/43/45/394554345.db2.gz LVWVMOXCHKXQIO-HIFRSBDPSA-N 2 0 255.365 2.971 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000538749935 394613184 /nfs/dbraw/zinc/61/31/84/394613184.db2.gz OZXNDCVRCPAHFF-INIZCTEOSA-N 2 0 298.434 2.727 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000539092147 394622222 /nfs/dbraw/zinc/62/22/22/394622222.db2.gz XTJBEHSPEYNMFJ-RDJZCZTQSA-N 2 0 276.424 2.612 20 0 CFADRP Fc1cccc(F)c1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166219965 542966287 /nfs/dbraw/zinc/96/62/87/542966287.db2.gz ADSPPWCSINTBJS-CHWSQXEVSA-N 2 0 280.362 2.724 20 0 CFADRP CCn1c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nc2ccccc21 ZINC000556943005 395026277 /nfs/dbraw/zinc/02/62/77/395026277.db2.gz JEOJYQLBYUTCMF-UONOGXRCSA-N 2 0 286.423 2.663 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(F)(F)F)CC[N@@H+]1C ZINC000558698090 395072603 /nfs/dbraw/zinc/07/26/03/395072603.db2.gz NVRYHYQSBHMFAN-VHSXEESVSA-N 2 0 252.324 2.647 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000648450892 395149290 /nfs/dbraw/zinc/14/92/90/395149290.db2.gz SYAQMOHZPURZOX-CRAIPNDOSA-N 2 0 272.436 2.865 20 0 CFADRP c1cc(C[NH+]2CCCC2)cc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000647151729 395182574 /nfs/dbraw/zinc/18/25/74/395182574.db2.gz NOBQWIDHXFMLSO-OAHLLOKOSA-N 2 0 298.390 2.757 20 0 CFADRP C1CCC([N@@H+]2CCC[C@@H]2c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000647145655 395175148 /nfs/dbraw/zinc/17/51/48/395175148.db2.gz BCWZAKKCOZYRIV-CHWSQXEVSA-N 2 0 276.384 2.574 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CO1 ZINC000647169092 395194811 /nfs/dbraw/zinc/19/48/11/395194811.db2.gz ZJTYLZBADRJGJF-YJBOKZPZSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CO1 ZINC000647177122 395201923 /nfs/dbraw/zinc/20/19/23/395201923.db2.gz LVYRLUAECXJFPD-ZFWWWQNUSA-N 2 0 294.464 2.727 20 0 CFADRP COCC1CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000648585379 395204414 /nfs/dbraw/zinc/20/44/14/395204414.db2.gz RNBGTEKDBMMDCW-HWOWSKLDSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000647248076 395254657 /nfs/dbraw/zinc/25/46/57/395254657.db2.gz YYTQLNCNTFDAGL-KBXIAJHMSA-N 2 0 266.429 2.549 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000647190082 395212988 /nfs/dbraw/zinc/21/29/88/395212988.db2.gz HGWUDNVXTGLHKH-HOCLYGCPSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CO1 ZINC000647195839 395216866 /nfs/dbraw/zinc/21/68/66/395216866.db2.gz GEGJTPVGXVABFL-KZYLPZIUSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000647324936 395291848 /nfs/dbraw/zinc/29/18/48/395291848.db2.gz NUGSIRMHFPFHGG-PQEBFOHHSA-N 2 0 258.409 2.862 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000647343539 395306781 /nfs/dbraw/zinc/30/67/81/395306781.db2.gz VOFBLAJZONOHBV-QRJUGERDSA-N 2 0 280.456 2.795 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000647249188 395255670 /nfs/dbraw/zinc/25/56/70/395255670.db2.gz HULUYLZCZTZDHW-XQZMSQOBSA-N 2 0 272.436 2.966 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCCSC2)[C@H](c2ccccc2)C1 ZINC000647249120 395256050 /nfs/dbraw/zinc/25/60/50/395256050.db2.gz CGHDPEZNTFSXRR-IKGGRYGDSA-N 2 0 290.476 2.817 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c1)NCC2 ZINC000647479579 395353428 /nfs/dbraw/zinc/35/34/28/395353428.db2.gz LXUBIFCGOGWNCF-RDJZCZTQSA-N 2 0 285.435 2.619 20 0 CFADRP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1C ZINC000647482888 395354761 /nfs/dbraw/zinc/35/47/61/395354761.db2.gz GOSDBZQGHGDXFM-UHFFFAOYSA-N 2 0 274.408 2.720 20 0 CFADRP C[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)[C@H]1C[NH3+] ZINC000647496711 395358326 /nfs/dbraw/zinc/35/83/26/395358326.db2.gz DCLPHBUBRBFCPH-YOEHRIQHSA-N 2 0 296.418 2.703 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@H]1[NH3+] ZINC000647497320 395359822 /nfs/dbraw/zinc/35/98/22/395359822.db2.gz CTIQZHWRYFPWBA-NVXWUHKLSA-N 2 0 288.435 2.613 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000647497303 395359866 /nfs/dbraw/zinc/35/98/66/395359866.db2.gz CGEVKEGCVHQMOP-BSWAZPDLSA-N 2 0 258.409 2.849 20 0 CFADRP CC[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000647497505 395360917 /nfs/dbraw/zinc/36/09/17/395360917.db2.gz JPGNWZUAGCKIRQ-DOTOQJQBSA-N 2 0 276.424 2.905 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)CC[C@H]1[NH3+] ZINC000647498565 395361871 /nfs/dbraw/zinc/36/18/71/395361871.db2.gz KEOQYUHBYITHHO-RHSMWYFYSA-N 2 0 298.434 2.944 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)CC[C@H]1[NH3+] ZINC000647498582 395361918 /nfs/dbraw/zinc/36/19/18/395361918.db2.gz KSQBQPAOFDVGQM-WMLDXEAASA-N 2 0 298.434 2.944 20 0 CFADRP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647498792 395363594 /nfs/dbraw/zinc/36/35/94/395363594.db2.gz QRLVSTJUMCLUID-BBRMVZONSA-N 2 0 284.407 2.636 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647498794 395363756 /nfs/dbraw/zinc/36/37/56/395363756.db2.gz QRLVSTJUMCLUID-CZUORRHYSA-N 2 0 284.407 2.636 20 0 CFADRP c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542870 395384275 /nfs/dbraw/zinc/38/42/75/395384275.db2.gz DEBYTGRUMISJKM-KGLIPLIRSA-N 2 0 264.438 2.960 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542681 395384329 /nfs/dbraw/zinc/38/43/29/395384329.db2.gz AAXAOXBNTSVIAG-CVEARBPZSA-N 2 0 288.435 2.907 20 0 CFADRP CC1(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCC1 ZINC000647543852 395385556 /nfs/dbraw/zinc/38/55/56/395385556.db2.gz SVOPLIWONVKJBR-LSDHHAIUSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1noc(C)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543754 395386235 /nfs/dbraw/zinc/38/62/35/395386235.db2.gz RQWIUUFHRCZUOX-GJZGRUSLSA-N 2 0 277.412 2.503 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549015 395388348 /nfs/dbraw/zinc/38/83/48/395388348.db2.gz FJRCBFSQYUUYJH-IXDOHACOSA-N 2 0 288.435 2.606 20 0 CFADRP Clc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549324 395388357 /nfs/dbraw/zinc/38/83/57/395388357.db2.gz UFYRZOXMJAGIRX-IIAWOOMASA-N 2 0 278.827 2.860 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000647552779 395391843 /nfs/dbraw/zinc/39/18/43/395391843.db2.gz WSOMALDBMLDVSI-GJZGRUSLSA-N 2 0 299.418 2.876 20 0 CFADRP COc1ccc(C)cc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553042 395392332 /nfs/dbraw/zinc/39/23/32/395392332.db2.gz VFXKELNVYVCTQN-UHFFFAOYSA-N 2 0 270.376 2.752 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CCCC2CC[NH2+]CC2)ccn1 ZINC000647988038 395473425 /nfs/dbraw/zinc/47/34/25/395473425.db2.gz HYMFAELKUFUYHT-QGZVFWFLSA-N 2 0 273.424 2.998 20 0 CFADRP c1ccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647874787 395449190 /nfs/dbraw/zinc/44/91/90/395449190.db2.gz YPGGLEFGZYENHA-GOSISDBHSA-N 2 0 288.435 2.840 20 0 CFADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647876884 395450041 /nfs/dbraw/zinc/45/00/41/395450041.db2.gz BXKOOURNNGUXIL-CYBMUJFWSA-N 2 0 252.789 2.771 20 0 CFADRP c1ccc(O[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000647880400 395450104 /nfs/dbraw/zinc/45/01/04/395450104.db2.gz VEAATTPRFCSEOI-GOSISDBHSA-N 2 0 288.435 2.920 20 0 CFADRP COc1ccccc1CC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647884125 395452430 /nfs/dbraw/zinc/45/24/30/395452430.db2.gz NIKYDQDYIDUJNA-INIZCTEOSA-N 2 0 288.435 2.559 20 0 CFADRP COc1ccccc1CC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000647884336 395452571 /nfs/dbraw/zinc/45/25/71/395452571.db2.gz CKHMFUHUCWFFKR-UHFFFAOYSA-N 2 0 290.451 2.949 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647886769 395453031 /nfs/dbraw/zinc/45/30/31/395453031.db2.gz RLHDPEDRVDUXIO-BZUAXINKSA-N 2 0 258.409 2.782 20 0 CFADRP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647886042 395453426 /nfs/dbraw/zinc/45/34/26/395453426.db2.gz LLSPOGKRBVDKJN-DVOMOZLQSA-N 2 0 262.372 2.818 20 0 CFADRP CO[C@H](C)C[N@H+](CCCC1CC[NH2+]CC1)C(C)C ZINC000647886776 395453575 /nfs/dbraw/zinc/45/35/75/395453575.db2.gz SHTPHZWFOLKUIY-CQSZACIVSA-N 2 0 256.434 2.512 20 0 CFADRP Fc1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647890025 395454132 /nfs/dbraw/zinc/45/41/32/395454132.db2.gz HWYIHEGJOHXVGX-XJKSGUPXSA-N 2 0 262.372 2.962 20 0 CFADRP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000647892202 395454974 /nfs/dbraw/zinc/45/49/74/395454974.db2.gz BLPFQUCMPNVLME-LRDDRELGSA-N 2 0 262.372 2.866 20 0 CFADRP CC[C@H]1C[N@H+](CCCOc2ccccc2C)CC[C@@H]1[NH3+] ZINC000647936645 395461628 /nfs/dbraw/zinc/46/16/28/395461628.db2.gz JBDXWLNMZIGVHC-HOTGVXAUSA-N 2 0 276.424 2.823 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCCc1ccccc1 ZINC000647958916 395465380 /nfs/dbraw/zinc/46/53/80/395465380.db2.gz LVUBBBFHOCONLO-SFHVURJKSA-N 2 0 292.467 2.642 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000647971946 395470803 /nfs/dbraw/zinc/47/08/03/395470803.db2.gz CROLMVYLJOGZBC-ULQDDVLXSA-N 2 0 284.488 2.882 20 0 CFADRP COCCCCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977925 395471550 /nfs/dbraw/zinc/47/15/50/395471550.db2.gz JXOYGXLGBRKMRQ-HOTGVXAUSA-N 2 0 268.445 2.515 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647977656 395471563 /nfs/dbraw/zinc/47/15/63/395471563.db2.gz FTQLOCFKSYFLPZ-ZWKOTPCHSA-N 2 0 287.451 2.726 20 0 CFADRP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647786186 395428029 /nfs/dbraw/zinc/42/80/29/395428029.db2.gz JYPSPOOHTKLAKP-FRRDWIJNSA-N 2 0 293.480 2.918 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Oc1ccc(F)cc1 ZINC000647789011 395428818 /nfs/dbraw/zinc/42/88/18/395428818.db2.gz WVIQMVMWYNYSJQ-HLPPOEQASA-N 2 0 292.398 2.571 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788109 395428943 /nfs/dbraw/zinc/42/89/43/395428943.db2.gz CKDUORKORXZXSK-YYIAUSFCSA-N 2 0 288.435 2.740 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647790088 395429430 /nfs/dbraw/zinc/42/94/30/395429430.db2.gz RGHGTHJJHABDSQ-LVQVYYBASA-N 2 0 286.419 2.530 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789836 395429482 /nfs/dbraw/zinc/42/94/82/395429482.db2.gz MFXOPCTUTLHDJK-ZJPYXAASSA-N 3 0 293.499 2.619 20 0 CFADRP Fc1cccc(C2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000647791690 395429723 /nfs/dbraw/zinc/42/97/23/395429723.db2.gz KHSMZRFCBBARDY-WOSRLPQWSA-N 2 0 274.383 2.793 20 0 CFADRP CC(C)c1csc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647790118 395429734 /nfs/dbraw/zinc/42/97/34/395429734.db2.gz RMEJTVYJHVICRR-JHJVBQTASA-N 2 0 279.453 2.744 20 0 CFADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647791623 395429884 /nfs/dbraw/zinc/42/98/84/395429884.db2.gz JDBPGDVHCVTMSZ-YESZJQIVSA-N 2 0 288.435 2.660 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647793456 395430200 /nfs/dbraw/zinc/43/02/00/395430200.db2.gz YNCTVLUNXHPYQJ-YESZJQIVSA-N 2 0 288.435 2.606 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647793046 395430218 /nfs/dbraw/zinc/43/02/18/395430218.db2.gz IYLDWNKYSQTGQH-KQTLUZQSSA-N 2 0 292.423 2.507 20 0 CFADRP FC1(F)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647793398 395430289 /nfs/dbraw/zinc/43/02/89/395430289.db2.gz WNTHSYZWWOWTEJ-LPWJVIDDSA-N 2 0 258.356 2.542 20 0 CFADRP CCc1ccc([C@H](COC)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647793045 395430321 /nfs/dbraw/zinc/43/03/21/395430321.db2.gz IYLDWNKYSQTGQH-CTASWTNQSA-N 2 0 292.423 2.507 20 0 CFADRP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647791792 395430452 /nfs/dbraw/zinc/43/04/52/395430452.db2.gz MYXBUNPSDDNAOC-BCUIYNNISA-N 2 0 290.382 2.627 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000647793853 395431255 /nfs/dbraw/zinc/43/12/55/395431255.db2.gz JVNRAQIRNPDVLI-RUZUBIRVSA-N 2 0 279.453 2.533 20 0 CFADRP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000647794139 395431503 /nfs/dbraw/zinc/43/15/03/395431503.db2.gz SAILJTSTIQCKOD-GBESFXJTSA-N 2 0 284.447 2.769 20 0 CFADRP c1cc2c(cccc2CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000647796587 395432017 /nfs/dbraw/zinc/43/20/17/395432017.db2.gz FVCYXASUQCWQIM-HRCADAONSA-N 2 0 283.419 2.688 20 0 CFADRP Fc1ccc(CC2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647798896 395433406 /nfs/dbraw/zinc/43/34/06/395433406.db2.gz YXCLULLOJAAZGK-BFYDXBDKSA-N 2 0 288.410 2.879 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798818 395433489 /nfs/dbraw/zinc/43/34/89/395433489.db2.gz XWPJEBNZAQKTDS-CBBWQLFWSA-N 2 0 288.460 2.854 20 0 CFADRP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647799573 395433559 /nfs/dbraw/zinc/43/35/59/395433559.db2.gz LCMWEDNXNIFBFQ-HNWLLIRGSA-N 2 0 274.383 2.601 20 0 CFADRP Fc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647799969 395433628 /nfs/dbraw/zinc/43/36/28/395433628.db2.gz VTLNOCFHCZEHGO-JINKPPJBSA-N 2 0 274.383 2.659 20 0 CFADRP F[C@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000647799540 395433800 /nfs/dbraw/zinc/43/38/00/395433800.db2.gz JNQVXNVADPGUEQ-QWHCGFSZSA-N 2 0 281.375 2.512 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800886 395434609 /nfs/dbraw/zinc/43/46/09/395434609.db2.gz LJFVPQHJCPBISF-BFHYXJOUSA-N 2 0 292.448 2.647 20 0 CFADRP CC1CC[NH+](C[C@H]2CCCN(C[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000649502417 395511955 /nfs/dbraw/zinc/51/19/55/395511955.db2.gz FELPTMMJPDFCJH-QZTJIDSGSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H](Nc1ccc(N2CCCC2)nc1)C1CC[NH+](C)CC1 ZINC000036982092 543025630 /nfs/dbraw/zinc/02/56/30/543025630.db2.gz CUCQEBALUOGHKC-CQSZACIVSA-N 2 0 288.439 2.824 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000649417723 395490323 /nfs/dbraw/zinc/49/03/23/395490323.db2.gz CCLGJFWBWQEMDM-LSDHHAIUSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417821 395490900 /nfs/dbraw/zinc/49/09/00/395490900.db2.gz IWSMNNSNKOSOAJ-HYVNUMGLSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@H]1CCCC[C@H]1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000185888083 543050090 /nfs/dbraw/zinc/05/00/90/543050090.db2.gz RRPUJOIWLPLSMI-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP Cc1cccc(OCC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000042895911 543063672 /nfs/dbraw/zinc/06/36/72/543063672.db2.gz GDCPSHUAFMVWCD-OAHLLOKOSA-N 2 0 276.424 2.694 20 0 CFADRP CCOC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCCC1 ZINC000312002573 413091616 /nfs/dbraw/zinc/09/16/16/413091616.db2.gz HBFURTUVOOIJEL-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195135488 543097763 /nfs/dbraw/zinc/09/77/63/543097763.db2.gz FDGWRWUNYLZVJZ-RHSMWYFYSA-N 2 0 298.434 2.891 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000401162427 413163497 /nfs/dbraw/zinc/16/34/97/413163497.db2.gz UBVHTRHTRVVRLH-FRRDWIJNSA-N 2 0 282.790 2.957 20 0 CFADRP C[NH+](C)CCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000390448967 397542264 /nfs/dbraw/zinc/54/22/64/397542264.db2.gz ZAXULAZTKZOYDQ-OAHLLOKOSA-N 2 0 260.425 2.723 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(C)CC1 ZINC000355425750 292122703 /nfs/dbraw/zinc/12/27/03/292122703.db2.gz PMSNSNSFYZYHOK-GMRIPVOYSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)CCO1 ZINC000356960770 397659512 /nfs/dbraw/zinc/65/95/12/397659512.db2.gz DAVDMUOVVOSZNK-IXDOHACOSA-N 2 0 282.472 2.855 20 0 CFADRP COC1(C[C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CCC1 ZINC000429438367 292123534 /nfs/dbraw/zinc/12/35/34/292123534.db2.gz UQLNEDHYYDTVKF-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP c1cncc([C@@H]([NH2+]CCC2CC[NH2+]CC2)C2CCC2)c1 ZINC000650762171 397886885 /nfs/dbraw/zinc/88/68/85/397886885.db2.gz VVDIRSJHLRLLNU-KRWDZBQOSA-N 2 0 273.424 2.902 20 0 CFADRP C[C@]1(C[NH2+]Cc2cccc3c2CCC3)CCC[NH2+]C1 ZINC000650703593 397859708 /nfs/dbraw/zinc/85/97/08/397859708.db2.gz HWTDHPBAMLBZRR-KRWDZBQOSA-N 2 0 258.409 2.655 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705361 397860950 /nfs/dbraw/zinc/86/09/50/397860950.db2.gz FHGXFCISEHMYTQ-OKZBNKHCSA-N 2 0 288.435 2.713 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC3CCCCC3)C2)C1 ZINC000650708393 397861888 /nfs/dbraw/zinc/86/18/88/397861888.db2.gz ZBPSNWLGLIMUFO-ZACQAIPSSA-N 2 0 280.456 2.785 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650763247 397887945 /nfs/dbraw/zinc/88/79/45/397887945.db2.gz VUQIIKMXOMIYID-LLVKDONJSA-N 2 0 268.426 2.797 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)[C@H]1CC[NH3+] ZINC000650711392 397863999 /nfs/dbraw/zinc/86/39/99/397863999.db2.gz SEFHLHBLHSDOJU-HIFRSBDPSA-N 2 0 278.444 2.587 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)[C@@H]1CC[NH3+] ZINC000650711609 397864214 /nfs/dbraw/zinc/86/42/14/397864214.db2.gz YQDBIRUKHFZNRS-SMDDNHRTSA-N 2 0 279.453 2.970 20 0 CFADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650711873 397864289 /nfs/dbraw/zinc/86/42/89/397864289.db2.gz GZTJCJBBYBVSGJ-UHFFFAOYSA-N 2 0 298.434 2.708 20 0 CFADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712247 397865110 /nfs/dbraw/zinc/86/51/10/397865110.db2.gz XREDLMIZJWCYNE-CZUORRHYSA-N 2 0 278.444 2.722 20 0 CFADRP Cn1cc(C[NH2+]CCC2(C[NH3+])CC2)c(C2CCCCC2)n1 ZINC000650713539 397865791 /nfs/dbraw/zinc/86/57/91/397865791.db2.gz VZGXBUJAAVYVRY-UHFFFAOYSA-N 2 0 290.455 2.686 20 0 CFADRP Cc1nc2ccc(C[NH2+]CCC3(C[NH3+])CC3)cc2s1 ZINC000650713913 397865822 /nfs/dbraw/zinc/86/58/22/397865822.db2.gz IXYXOYRNXGFUOI-UHFFFAOYSA-N 2 0 275.421 2.823 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717727 397867203 /nfs/dbraw/zinc/86/72/03/397867203.db2.gz KMXYGHDIRCKUKE-NHYWBVRUSA-N 2 0 250.361 2.953 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000650718551 397868172 /nfs/dbraw/zinc/86/81/72/397868172.db2.gz QWXXIOPGIWYKIC-UHFFFAOYSA-N 2 0 270.376 2.704 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764253 397888417 /nfs/dbraw/zinc/88/84/17/397888417.db2.gz UPKGRYRDEMGKMM-ZDUSSCGKSA-N 2 0 264.388 2.736 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc2c1NCC2 ZINC000650719217 397868492 /nfs/dbraw/zinc/86/84/92/397868492.db2.gz IFFRAHLPILVPOS-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000650718530 397868550 /nfs/dbraw/zinc/86/85/50/397868550.db2.gz QHIUMCAPDSKGHJ-UHFFFAOYSA-N 2 0 288.366 2.844 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CC[C@H]2CCc3ccccc3N2)CC[NH2+]1 ZINC000650720969 397870186 /nfs/dbraw/zinc/87/01/86/397870186.db2.gz KDRHJGKFCRZFNO-BFYDXBDKSA-N 2 0 287.451 2.781 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650722340 397870469 /nfs/dbraw/zinc/87/04/69/397870469.db2.gz QBMCVYVDPDHCGG-KZNAEPCWSA-N 2 0 288.435 2.856 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721961 397870476 /nfs/dbraw/zinc/87/04/76/397870476.db2.gz HIIFOWNPBNTGTI-KSZLIROESA-N 2 0 288.435 2.856 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650722833 397871307 /nfs/dbraw/zinc/87/13/07/397871307.db2.gz CCBSCXVWLKYEIX-JJXSEGSLSA-N 2 0 268.445 2.783 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724475 397871692 /nfs/dbraw/zinc/87/16/92/397871692.db2.gz HAOWHJQPYPHQMF-UONOGXRCSA-N 2 0 276.399 2.787 20 0 CFADRP CC[N@H+](CCCN[C@@H](C)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000650741663 397875976 /nfs/dbraw/zinc/87/59/76/397875976.db2.gz IYDAELXQBJAOMK-DOTOQJQBSA-N 2 0 281.488 2.761 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cccc2ccsc21 ZINC000650741018 397876074 /nfs/dbraw/zinc/87/60/74/397876074.db2.gz WGSWFNOUONEMSR-NILFDRSVSA-N 2 0 290.432 2.743 20 0 CFADRP CC[C@H](OCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000650741373 397876082 /nfs/dbraw/zinc/87/60/82/397876082.db2.gz CHGAADGCYONQBL-YCPHGPKFSA-N 2 0 264.413 2.870 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)s1 ZINC000650744610 397878320 /nfs/dbraw/zinc/87/83/20/397878320.db2.gz RTMUDRGPXOZKAE-SECBINFHSA-N 2 0 253.415 2.540 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000650744558 397878383 /nfs/dbraw/zinc/87/83/83/397878383.db2.gz QAUQAHQOOYZTQL-INIZCTEOSA-N 2 0 274.408 2.791 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(Cc2ccccc2)c1 ZINC000650744516 397878386 /nfs/dbraw/zinc/87/83/86/397878386.db2.gz OXZCITZDCHDWDO-HNNXBMFYSA-N 2 0 298.434 2.711 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H](C)C2 ZINC000650745214 397878646 /nfs/dbraw/zinc/87/86/46/397878646.db2.gz BSGLCKWWLNVIKT-CZUORRHYSA-N 2 0 258.409 2.947 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(F)c1F ZINC000650745506 397879003 /nfs/dbraw/zinc/87/90/03/397879003.db2.gz IGFUEZHXCIQNSS-JTQLQIEISA-N 2 0 254.324 2.744 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650746639 397879464 /nfs/dbraw/zinc/87/94/64/397879464.db2.gz HFNFRHVLJAKKBS-JKSUJKDBSA-N 2 0 288.435 2.951 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000650745989 397879525 /nfs/dbraw/zinc/87/95/25/397879525.db2.gz SVKOIYORJNRLGL-OAHLLOKOSA-N 2 0 262.372 2.922 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000650746035 397879707 /nfs/dbraw/zinc/87/97/07/397879707.db2.gz URPGRZMKMQDXEH-MRXNPFEDSA-N 2 0 258.409 2.726 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000650746395 397879750 /nfs/dbraw/zinc/87/97/50/397879750.db2.gz BEVYXEOPWOYRND-ZBFHGGJFSA-N 2 0 273.424 2.826 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ncc(-c2ccccc2)n1C ZINC000650747923 397880335 /nfs/dbraw/zinc/88/03/35/397880335.db2.gz KMEHKPSAOJIXSX-CQSZACIVSA-N 2 0 298.434 2.867 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cccnc1 ZINC000650753356 397882411 /nfs/dbraw/zinc/88/24/11/397882411.db2.gz LMJCKEBFNYYOFK-NSHDSACASA-N 2 0 259.328 2.530 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)[C@H]1CC1(C)C ZINC000650754319 397883806 /nfs/dbraw/zinc/88/38/06/397883806.db2.gz GGBGKOUQPYOFCR-ZWNOBZJWSA-N 2 0 250.361 2.809 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000650756079 397884524 /nfs/dbraw/zinc/88/45/24/397884524.db2.gz UCEGIDVGKROPMB-ZWKOTPCHSA-N 2 0 281.403 2.640 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c(F)c1 ZINC000650755957 397884552 /nfs/dbraw/zinc/88/45/52/397884552.db2.gz QGLLZHFVDKPLSL-MRXNPFEDSA-N 2 0 292.398 2.723 20 0 CFADRP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000372990699 292126571 /nfs/dbraw/zinc/12/65/71/292126571.db2.gz BZJZROURFIBILL-RRFJBIMHSA-N 2 0 266.429 2.551 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000414301074 292133105 /nfs/dbraw/zinc/13/31/05/292133105.db2.gz JMMCCGRJMVCRDO-CYBMUJFWSA-N 2 0 268.445 2.797 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C12CCC2 ZINC000423172123 285861374 /nfs/dbraw/zinc/86/13/74/285861374.db2.gz RKSBGDGGGCJOGT-YHUYYLMFSA-N 2 0 280.456 2.844 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)CCCC1 ZINC000421821158 292135728 /nfs/dbraw/zinc/13/57/28/292135728.db2.gz PSQPEMMZSWDXOY-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404287046 413192563 /nfs/dbraw/zinc/19/25/63/413192563.db2.gz INGGHTVSKZEPBG-WFASDCNBSA-N 2 0 250.361 2.775 20 0 CFADRP COC1([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC000421831460 292149618 /nfs/dbraw/zinc/14/96/18/292149618.db2.gz LJQZLQMAQYFOKN-KKUMJFAQSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255363 413194710 /nfs/dbraw/zinc/19/47/10/413194710.db2.gz BNJUWUPGMOUFDH-LVQVYYBASA-N 2 0 280.456 2.797 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423082591 292153909 /nfs/dbraw/zinc/15/39/09/292153909.db2.gz DNCKGKPELSNPOK-YHNBSYBMSA-N 2 0 268.445 2.689 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423082590 292153785 /nfs/dbraw/zinc/15/37/85/292153785.db2.gz DNCKGKPELSNPOK-UIDBIOKJSA-N 2 0 268.445 2.689 20 0 CFADRP CSC1(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000356188561 155179877 /nfs/dbraw/zinc/17/98/77/155179877.db2.gz FMVOJFLZGZHKNG-AWEZNQCLSA-N 2 0 270.486 2.982 20 0 CFADRP CCOC1CC(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000367159115 286011532 /nfs/dbraw/zinc/01/15/32/286011532.db2.gz VIYDFDGFOYVKBL-WWDZGPRUSA-N 2 0 294.483 2.999 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCCF)CC1 ZINC000663463950 413217646 /nfs/dbraw/zinc/21/76/46/413217646.db2.gz OTVPSFOFCICJAP-ZBFHGGJFSA-N 2 0 286.435 2.605 20 0 CFADRP CN(Cc1cc(F)cc2cccnc21)CC(C)(C)[NH3+] ZINC000656783589 413221927 /nfs/dbraw/zinc/22/19/27/413221927.db2.gz QTSOFVOZTVOTNY-UHFFFAOYSA-N 2 0 261.344 2.543 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423435504 286024351 /nfs/dbraw/zinc/02/43/51/286024351.db2.gz OTCMGEIKEGAGBY-DZKIICNBSA-N 2 0 264.413 2.870 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261591265 286028804 /nfs/dbraw/zinc/02/88/04/286028804.db2.gz LWYQMGJYRWKBJT-GJZGRUSLSA-N 2 0 270.461 2.950 20 0 CFADRP c1cc(N2CCC([NH2+]C3CCSCC3)CC2)cc[nH+]1 ZINC000136362020 296604769 /nfs/dbraw/zinc/60/47/69/296604769.db2.gz RVUIQVAYNCPVRE-UHFFFAOYSA-N 2 0 277.437 2.536 20 0 CFADRP CC(C)n1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656785513 413224224 /nfs/dbraw/zinc/22/42/24/413224224.db2.gz LCHRGIJUCXJSFA-QGZVFWFLSA-N 2 0 290.455 2.676 20 0 CFADRP CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423118036 286033672 /nfs/dbraw/zinc/03/36/72/286033672.db2.gz YOCHIBYTRBSYLW-FZKCQIBNSA-N 2 0 268.445 2.844 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367618513 286049013 /nfs/dbraw/zinc/04/90/13/286049013.db2.gz SVTYHEACBZACDI-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656784470 413225605 /nfs/dbraw/zinc/22/56/05/413225605.db2.gz DKGLZYPIHNNDDM-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP Cc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784705 413225978 /nfs/dbraw/zinc/22/59/78/413225978.db2.gz FYZXNMNBGTXYDT-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP CC1(C)CC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000663466815 413225410 /nfs/dbraw/zinc/22/54/10/413225410.db2.gz XRMJRCHAOVNEOQ-CQSZACIVSA-N 2 0 250.430 2.887 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CCC1 ZINC000246305951 286048955 /nfs/dbraw/zinc/04/89/55/286048955.db2.gz DKOUAOAAYSNLHR-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656783907 413226231 /nfs/dbraw/zinc/22/62/31/413226231.db2.gz BGXWQOJUVRTDTJ-INIZCTEOSA-N 2 0 288.435 2.907 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000246361106 286049318 /nfs/dbraw/zinc/04/93/18/286049318.db2.gz ILNWESFJDLDOEI-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467130 413226745 /nfs/dbraw/zinc/22/67/45/413226745.db2.gz CURWVFJUGOOUFV-QAPCUYQASA-N 2 0 294.483 2.903 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCC1 ZINC000422940514 286050301 /nfs/dbraw/zinc/05/03/01/286050301.db2.gz NKEGGIACWHIZJJ-CABCVRRESA-N 2 0 268.445 2.561 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423127850 292193570 /nfs/dbraw/zinc/19/35/70/292193570.db2.gz PSIYWTQDUUTFRY-KBPBESRZSA-N 2 0 256.434 2.689 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663469099 413228673 /nfs/dbraw/zinc/22/86/73/413228673.db2.gz ONKURBVSDLKJGA-KRWDZBQOSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC000663468047 413228897 /nfs/dbraw/zinc/22/88/97/413228897.db2.gz JZRQEWYQWGQQNA-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP COc1ccsc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656787330 413231447 /nfs/dbraw/zinc/23/14/47/413231447.db2.gz XOVZHLITTOJYCT-AWEZNQCLSA-N 2 0 294.464 2.968 20 0 CFADRP C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cncs1 ZINC000663468295 413231652 /nfs/dbraw/zinc/23/16/52/413231652.db2.gz LJTKXZLSRITOON-JSGCOSHPSA-N 2 0 279.453 2.916 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCCC3)CC2)C1 ZINC000656789372 413233684 /nfs/dbraw/zinc/23/36/84/413233684.db2.gz NNOBBSHTTQBJQC-WBVHZDCISA-N 2 0 293.499 2.891 20 0 CFADRP Cc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423339667 292204560 /nfs/dbraw/zinc/20/45/60/292204560.db2.gz JCDSZVUXWWFTLW-QGZVFWFLSA-N 2 0 256.393 2.955 20 0 CFADRP CCOCC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348301441 286098632 /nfs/dbraw/zinc/09/86/32/286098632.db2.gz HZDNLTDIJYDOOA-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP C([C@H]1CCC[NH2+]C1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656790656 413235888 /nfs/dbraw/zinc/23/58/88/413235888.db2.gz HGMAVOVNRDJUFN-GOEBONIOSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC[NH2+]1 ZINC000656790808 413236013 /nfs/dbraw/zinc/23/60/13/413236013.db2.gz BBLABDKDKMDZGZ-WCXIOVBPSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](COc2ccccc2)C1 ZINC000356360033 155238093 /nfs/dbraw/zinc/23/80/93/155238093.db2.gz HCNRNCMEKIENGQ-IAGOWNOFSA-N 2 0 288.435 2.872 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H](C)C[NH+]3CCCCC3)C[C@H]2C1 ZINC000424272051 286115172 /nfs/dbraw/zinc/11/51/72/286115172.db2.gz SXLKVQNLCDAHMB-QXDIGNSFSA-N 2 0 294.483 2.902 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000663497705 413239575 /nfs/dbraw/zinc/23/95/75/413239575.db2.gz FEYULQIMNKAEOU-MRXNPFEDSA-N 2 0 264.413 2.937 20 0 CFADRP CO[C@](C)([C@H](C)[NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000411977631 286151375 /nfs/dbraw/zinc/15/13/75/286151375.db2.gz YFNWGCKFGUAPMI-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c[nH]c2nccnc12 ZINC000356432040 155264402 /nfs/dbraw/zinc/26/44/02/155264402.db2.gz FEDBQDALGLRJPH-ZDUSSCGKSA-N 2 0 289.427 2.510 20 0 CFADRP Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000663503233 413249597 /nfs/dbraw/zinc/24/95/97/413249597.db2.gz LVBUVUVPSIVKRW-IRXDYDNUSA-N 2 0 258.409 2.962 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502317 413250017 /nfs/dbraw/zinc/25/00/17/413250017.db2.gz GRYGXNOUHAVECJ-MRXNPFEDSA-N 2 0 286.423 2.644 20 0 CFADRP COCC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC[NH2+]CC1 ZINC000423409531 292247613 /nfs/dbraw/zinc/24/76/13/292247613.db2.gz QGSIPYSRDICZSZ-HUUCEWRRSA-N 2 0 286.435 2.511 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH3+])C1(CC)CC ZINC000422840251 286287883 /nfs/dbraw/zinc/28/78/83/286287883.db2.gz SLQQDGZQZMVBKV-BFHYXJOUSA-N 2 0 256.434 2.687 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@H](C)CCc1ccc(Cl)s1 ZINC000663514854 413259066 /nfs/dbraw/zinc/25/90/66/413259066.db2.gz UXQCRDQJQYFUMC-NXEZZACHSA-N 2 0 260.834 2.920 20 0 CFADRP C[NH2+]C[C@@H](C)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000663514794 413259633 /nfs/dbraw/zinc/25/96/33/413259633.db2.gz TXQGJVVRLFIHOE-GHMZBOCLSA-N 2 0 274.330 2.834 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C12CCC2 ZINC000414714360 286333592 /nfs/dbraw/zinc/33/35/92/286333592.db2.gz VIOVDAXXBUDURC-FXUDXRNXSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000342623618 286363997 /nfs/dbraw/zinc/36/39/97/286363997.db2.gz HNQCAZHKLSTHTA-XYPHTWIQSA-N 2 0 276.424 2.729 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(C)c1OC ZINC000423388614 286370818 /nfs/dbraw/zinc/37/08/18/286370818.db2.gz UGYJLPUORODOFF-XBFCOCLRSA-N 2 0 292.423 2.803 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1cccc(F)c1 ZINC000422727277 289366053 /nfs/dbraw/zinc/36/60/53/289366053.db2.gz HAMFUQYWUPCBEE-IXDOHACOSA-N 2 0 293.430 2.678 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)C1(C)C ZINC000355035247 286384326 /nfs/dbraw/zinc/38/43/26/286384326.db2.gz HYRMNLMPZSDAGO-LSDHHAIUSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)C12CCCC2 ZINC000085680760 286384834 /nfs/dbraw/zinc/38/48/34/286384834.db2.gz WWIUKFIHUKPBCR-JKSUJKDBSA-N 2 0 280.456 2.656 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423049726 286389892 /nfs/dbraw/zinc/38/98/92/286389892.db2.gz KOSZAJLOXRHJBX-GZBFAFLISA-N 2 0 276.424 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C12CCC2 ZINC000353533043 286398486 /nfs/dbraw/zinc/39/84/86/286398486.db2.gz XDUYNPRDBGDDRQ-BQJWPVKWSA-N 2 0 292.467 2.797 20 0 CFADRP COc1ccc2cc(C[NH2+][C@@H]3CN(C)C[C@@H]3C)ccc2c1 ZINC000343070389 154104085 /nfs/dbraw/zinc/10/40/85/154104085.db2.gz IDBVERCVRBVJSH-SCLBCKFNSA-N 2 0 284.403 2.888 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000343071384 154105055 /nfs/dbraw/zinc/10/50/55/154105055.db2.gz LZKZJOVFESNTGO-ZWNOBZJWSA-N 2 0 288.313 2.625 20 0 CFADRP CCN1C[C@@H](C)[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000343090513 154111444 /nfs/dbraw/zinc/11/14/44/154111444.db2.gz FGVSKRHOAINXPD-UKRRQHHQSA-N 2 0 264.438 2.709 20 0 CFADRP C[N@H+](Cc1cccc(C(F)F)c1)C1CCN(CCO)CC1 ZINC000348051723 154298366 /nfs/dbraw/zinc/29/83/66/154298366.db2.gz MJVIBLUDKPVANG-UHFFFAOYSA-N 2 0 298.377 2.513 20 0 CFADRP CSC1(C[NH2+]CCC[NH+](C(C)C)C(C)C)CC1 ZINC000348092676 154316086 /nfs/dbraw/zinc/31/60/86/154316086.db2.gz PWFIWZOPJBFZES-UHFFFAOYSA-N 2 0 258.475 2.981 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2CC)[C@@H](C)C1 ZINC000348121953 154328937 /nfs/dbraw/zinc/32/89/37/154328937.db2.gz KAPWTXRDFLEXOG-LUKYLMHMSA-N 2 0 282.472 2.902 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)[C@@H](C)C1 ZINC000348126949 154330549 /nfs/dbraw/zinc/33/05/49/154330549.db2.gz RGYVQSMZFXFTIS-LEUOFYLZSA-N 2 0 294.483 2.902 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCCC1 ZINC000660416267 413297069 /nfs/dbraw/zinc/29/70/69/413297069.db2.gz QDHARSHTHBCVIV-CVEARBPZSA-N 2 0 268.445 2.608 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCCC1 ZINC000660416269 413297923 /nfs/dbraw/zinc/29/79/23/413297923.db2.gz QDHARSHTHBCVIV-HZPDHXFCSA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1C[C@@H](C[NH+]2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000352612653 154628018 /nfs/dbraw/zinc/62/80/18/154628018.db2.gz QCWIJMYWEHNDNZ-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CCCCC1 ZINC000660416630 413298343 /nfs/dbraw/zinc/29/83/43/413298343.db2.gz UXQDRMSRBDCZQB-SJORKVTESA-N 2 0 282.472 2.998 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000355651207 155054897 /nfs/dbraw/zinc/05/48/97/155054897.db2.gz IUIBTDCMRCBBII-UHFFFAOYSA-N 2 0 297.402 2.721 20 0 CFADRP c1c[nH]c([C@H]2CCCN2Cc2cc(-n3ccnc3)cs2)n1 ZINC000355742670 155072753 /nfs/dbraw/zinc/07/27/53/155072753.db2.gz WLGXOMCPSLGXKV-CQSZACIVSA-N 2 0 299.403 2.994 20 0 CFADRP Cc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357042491 155480968 /nfs/dbraw/zinc/48/09/68/155480968.db2.gz DWGINOZYMHJEPK-INIZCTEOSA-N 2 0 258.409 2.817 20 0 CFADRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1C ZINC000357094705 155497041 /nfs/dbraw/zinc/49/70/41/155497041.db2.gz ZXXUPKJCRADKKN-QGZVFWFLSA-N 2 0 288.435 2.825 20 0 CFADRP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359190248 156019195 /nfs/dbraw/zinc/01/91/95/156019195.db2.gz NCIDQARVTPTGQJ-MRXNPFEDSA-N 2 0 290.455 2.564 20 0 CFADRP COCC[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359199521 156021030 /nfs/dbraw/zinc/02/10/30/156021030.db2.gz XJJGAHLXIHPXEO-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(F)F)CC1 ZINC000362735376 156076045 /nfs/dbraw/zinc/07/60/45/156076045.db2.gz PUBORESZNLALGD-ZDUSSCGKSA-N 2 0 260.372 2.838 20 0 CFADRP C(CC1CCOCC1)C[N@H+]1C[C@H]2[C@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363972476 156211907 /nfs/dbraw/zinc/21/19/07/156211907.db2.gz IFIDQSSHZOJDBU-BZSNNMDCSA-N 2 0 292.467 2.609 20 0 CFADRP CC(C)(C)OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367139159 156286234 /nfs/dbraw/zinc/28/62/34/156286234.db2.gz JMDSCFDDSIKJQZ-MRXNPFEDSA-N 2 0 282.472 2.999 20 0 CFADRP CCOC1CC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000367150669 156288195 /nfs/dbraw/zinc/28/81/95/156288195.db2.gz IHKDRBSCAGAMBV-XPJGSDBHSA-N 2 0 292.467 2.750 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](CCCCCF)CC2)CC1 ZINC000367458323 156335544 /nfs/dbraw/zinc/33/55/44/156335544.db2.gz KDXSFUUDNPHJBS-UHFFFAOYSA-N 2 0 299.478 2.618 20 0 CFADRP COCC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367491128 156340832 /nfs/dbraw/zinc/34/08/32/156340832.db2.gz QWSWDHMEDGRRIM-GOOCMWNKSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000367618747 156364567 /nfs/dbraw/zinc/36/45/67/156364567.db2.gz UIVSYYNIJVUUGB-RCBQFDQVSA-N 2 0 280.362 2.927 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccs2)[C@@H]2CCC[C@H]21 ZINC000367625504 156366341 /nfs/dbraw/zinc/36/63/41/156366341.db2.gz YLPZHKHSKXZZKC-SOUVJXGZSA-N 2 0 264.438 2.753 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccn3)CCC2)CC[N@@H+]1C ZINC000367711476 156379831 /nfs/dbraw/zinc/37/98/31/156379831.db2.gz CRGWESULKFOWRI-HUUCEWRRSA-N 2 0 273.424 2.576 20 0 CFADRP CCOc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1OC ZINC000415070863 286555780 /nfs/dbraw/zinc/55/57/80/286555780.db2.gz YVXICKOCBYUURH-ZDUSSCGKSA-N 2 0 280.412 2.701 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000657182641 413332261 /nfs/dbraw/zinc/33/22/61/413332261.db2.gz FZDOQDXOEWDXCN-HOTGVXAUSA-N 2 0 288.435 2.874 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCOCC[NH+](C)C)c2ccccc21 ZINC000219306295 296733264 /nfs/dbraw/zinc/73/32/64/296733264.db2.gz SANHDRBVXXGYOG-PBHICJAKSA-N 2 0 276.424 2.793 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C)C1 ZINC000415009862 296737205 /nfs/dbraw/zinc/73/72/05/296737205.db2.gz OLMSOSQINUGCPE-ZLTXHLNPSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](C)C1 ZINC000401015723 296737324 /nfs/dbraw/zinc/73/73/24/296737324.db2.gz ISOFNPLEOAWRJQ-FWXGHANASA-N 2 0 250.430 2.789 20 0 CFADRP c1ccc(C2=CC[NH2+]CC2)c(C[C@@H]2CCCC[NH2+]2)c1 ZINC000653510195 413340672 /nfs/dbraw/zinc/34/06/72/413340672.db2.gz QIJWJQNLYJMFIM-INIZCTEOSA-N 2 0 256.393 2.748 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCC[NH+](C)C)C1 ZINC000374189127 157079174 /nfs/dbraw/zinc/07/91/74/157079174.db2.gz QHACJIPSFWQURZ-HZPDHXFCSA-N 2 0 275.440 2.958 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc(F)c1 ZINC000374423725 157112613 /nfs/dbraw/zinc/11/26/13/157112613.db2.gz XEBXBVQIDRSTRW-ZACQAIPSSA-N 2 0 292.398 2.509 20 0 CFADRP CC[C@H](COC)[NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000374528911 157126357 /nfs/dbraw/zinc/12/63/57/157126357.db2.gz WARSSJHGFPYCJY-KBAYOESNSA-N 2 0 290.451 2.912 20 0 CFADRP CC(C)SCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000374775277 157157620 /nfs/dbraw/zinc/15/76/20/157157620.db2.gz CUSDWIJVBAFQQN-QLFBSQMISA-N 2 0 268.470 2.544 20 0 CFADRP COCCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374907055 157171533 /nfs/dbraw/zinc/17/15/33/157171533.db2.gz CGGKAHOEPPNGCD-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCCCC2CCOCC2)CC1 ZINC000375622755 157261498 /nfs/dbraw/zinc/26/14/98/157261498.db2.gz CGIQZDCENATWCZ-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375751020 157279914 /nfs/dbraw/zinc/27/99/14/157279914.db2.gz QCHGFXGALIPDBI-FUHWJXTLSA-N 2 0 298.434 2.511 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)C(C)(C)C ZINC000375842170 157294462 /nfs/dbraw/zinc/29/44/62/157294462.db2.gz UXINNRVOGIJFKO-HIFRSBDPSA-N 2 0 278.444 2.743 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000375854489 157297244 /nfs/dbraw/zinc/29/72/44/157297244.db2.gz USOXSHHZZYCXEK-RRFJBIMHSA-N 2 0 293.480 2.765 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@H]2CCC[C@@H]21 ZINC000375898051 157303494 /nfs/dbraw/zinc/30/34/94/157303494.db2.gz OCQUICDCPBYZEP-KBMXLJTQSA-N 2 0 262.372 2.788 20 0 CFADRP CC(C)[NH+]1CCC(Nc2cc[nH+]cc2-c2cccnc2)CC1 ZINC000376075846 157320444 /nfs/dbraw/zinc/32/04/44/157320444.db2.gz ZOZLBXBJCMGTNL-UHFFFAOYSA-N 2 0 296.418 2.850 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000660540630 413382016 /nfs/dbraw/zinc/38/20/16/413382016.db2.gz DIUPFIQWESQXJD-VQVIJEGRSA-N 2 0 293.499 2.521 20 0 CFADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660548773 413386735 /nfs/dbraw/zinc/38/67/35/413386735.db2.gz FSEATYIGUSSWSN-MHORFTMASA-N 2 0 293.499 2.523 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422819704 286712558 /nfs/dbraw/zinc/71/25/58/286712558.db2.gz NPIJVPRYPIGNDE-IGQOVBAYSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180703364 298316067 /nfs/dbraw/zinc/31/60/67/298316067.db2.gz LNDRBSZWKOKTSX-CYBMUJFWSA-N 2 0 298.471 2.959 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)C[NH+](C)C ZINC000651349885 413415885 /nfs/dbraw/zinc/41/58/85/413415885.db2.gz KXVWEEQXWAXMAK-RHSMWYFYSA-N 2 0 260.425 2.721 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CO1 ZINC000657296429 413414378 /nfs/dbraw/zinc/41/43/78/413414378.db2.gz HTWLQFGFEPVZMP-MSOLQXFVSA-N 2 0 288.435 2.940 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000423168283 298391864 /nfs/dbraw/zinc/39/18/64/298391864.db2.gz UEJCTRJNDHKQAE-MNOVXSKESA-N 2 0 267.442 2.800 20 0 CFADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663903972 413429759 /nfs/dbraw/zinc/42/97/59/413429759.db2.gz AXBLESKLGGOXSS-STQMWFEESA-N 2 0 270.380 2.626 20 0 CFADRP Cc1c[nH]c(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000657313459 413430455 /nfs/dbraw/zinc/43/04/55/413430455.db2.gz RKEKFOVKXRLVDT-KBPBESRZSA-N 2 0 278.444 2.566 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459776773 298416451 /nfs/dbraw/zinc/41/64/51/298416451.db2.gz XVOLLAMRQMWRDG-RDBSUJKOSA-N 2 0 270.461 2.898 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCC(C)(C)C ZINC000342570173 161658778 /nfs/dbraw/zinc/65/87/78/161658778.db2.gz BGZUJOASGTZVLA-HOTGVXAUSA-N 2 0 283.504 2.817 20 0 CFADRP Cc1nc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000657311767 413433716 /nfs/dbraw/zinc/43/37/16/413433716.db2.gz UHZIRIASUHULJA-ZDUSSCGKSA-N 2 0 278.444 2.628 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343930703 161896701 /nfs/dbraw/zinc/89/67/01/161896701.db2.gz MGXGYZGOJYKAHY-HOCLYGCPSA-N 2 0 291.439 2.690 20 0 CFADRP COc1cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1F ZINC000344303754 162004008 /nfs/dbraw/zinc/00/40/08/162004008.db2.gz WFBMLMBJNBEQPC-LBPRGKRZSA-N 2 0 278.371 2.747 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000344633746 162085897 /nfs/dbraw/zinc/08/58/97/162085897.db2.gz ALJINMSDTQGJGK-SJORKVTESA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000344684190 162097699 /nfs/dbraw/zinc/09/76/99/162097699.db2.gz WUYNMBHWUDVGOT-ZIAGYGMSSA-N 2 0 289.423 2.560 20 0 CFADRP C[N@H+](CCc1noc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000653673365 413441443 /nfs/dbraw/zinc/44/14/43/413441443.db2.gz VIXZVAFMAAXBAM-YIONKMFJSA-N 2 0 299.418 2.927 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345185260 162196649 /nfs/dbraw/zinc/19/66/49/162196649.db2.gz LCQSBDUHYSAOFE-UHFFFAOYSA-N 2 0 275.440 2.886 20 0 CFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)[C@H]1CCSC1 ZINC000346171986 162338859 /nfs/dbraw/zinc/33/88/59/162338859.db2.gz LMXMQCCHEPXEJL-NSHDSACASA-N 2 0 279.434 2.871 20 0 CFADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000346369719 162396214 /nfs/dbraw/zinc/39/62/14/162396214.db2.gz SEZYLWDGBVTANA-DOTOQJQBSA-N 2 0 291.414 2.608 20 0 CFADRP CC(C)n1ccnc1CNCc1ccccc1-n1ccnc1 ZINC000657328157 413454559 /nfs/dbraw/zinc/45/45/59/413454559.db2.gz RJLBPPWVVMYKMB-UHFFFAOYSA-N 2 0 295.390 2.940 20 0 CFADRP COC1CC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000349684507 163002767 /nfs/dbraw/zinc/00/27/67/163002767.db2.gz KNGVBGNWSDXESH-DVHLICQRSA-N 2 0 288.435 2.807 20 0 CFADRP COC1CCC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000349723900 163008529 /nfs/dbraw/zinc/00/85/29/163008529.db2.gz SFRARVCRRRDZBJ-YHNBSYBMSA-N 2 0 268.445 2.654 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000349720082 163009000 /nfs/dbraw/zinc/00/90/00/163009000.db2.gz ISFCEFLEAZGEQF-LBDPXKHJSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000350200002 163065325 /nfs/dbraw/zinc/06/53/25/163065325.db2.gz CAETZXPQWFVRIY-NVXWUHKLSA-N 2 0 291.439 2.575 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Cl)s1 ZINC000350320387 163072918 /nfs/dbraw/zinc/07/29/18/163072918.db2.gz QBVYMSMUQHEALS-UHFFFAOYSA-N 2 0 290.860 2.850 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000351414418 163129873 /nfs/dbraw/zinc/12/98/73/163129873.db2.gz NDSZSLLXBSQMSI-LSDHHAIUSA-N 2 0 296.455 2.524 20 0 CFADRP Cc1ccc(CCC[N@@H+](C)CCc2nccs2)cn1 ZINC000351424428 163129918 /nfs/dbraw/zinc/12/99/18/163129918.db2.gz WANQPQJZLFVSLL-UHFFFAOYSA-N 2 0 275.421 2.954 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351475499 163132051 /nfs/dbraw/zinc/13/20/51/163132051.db2.gz IMOBWRUFTAZQSU-IMJJTQAJSA-N 2 0 274.408 2.643 20 0 CFADRP CC(C)CC[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)C(C)(C)C ZINC000351578848 163150624 /nfs/dbraw/zinc/15/06/24/163150624.db2.gz HQHQCQAOIBZWIX-HOTGVXAUSA-N 2 0 284.488 2.882 20 0 CFADRP CC1=C[C@H](C)C[C@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000352840563 163249350 /nfs/dbraw/zinc/24/93/50/163249350.db2.gz NTXWRFCINJDBNW-RDJZCZTQSA-N 2 0 280.456 2.681 20 0 CFADRP C[N@H+](CC[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924979 163270155 /nfs/dbraw/zinc/27/01/55/163270155.db2.gz NRQMSZBQHHVFFH-QXULXFAOSA-N 2 0 266.429 2.503 20 0 CFADRP CSC1(C[NH2+]C/C=C\c2ccncc2)CC[NH+](C)CC1 ZINC000353210442 163316323 /nfs/dbraw/zinc/31/63/23/163316323.db2.gz LWHWSOXSLBHNIU-ARJAWSKDSA-N 2 0 291.464 2.512 20 0 CFADRP CCC(CC)C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353217679 163320718 /nfs/dbraw/zinc/32/07/18/163320718.db2.gz IZGZAVUZHIPJGB-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000353317311 163345150 /nfs/dbraw/zinc/34/51/50/163345150.db2.gz VZHHGQANVSHJOZ-QBPKDAKJSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353506430 163380684 /nfs/dbraw/zinc/38/06/84/163380684.db2.gz YHJYWCMLJIAZQN-IUDNXUCKSA-N 2 0 276.424 2.786 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000353527600 163387316 /nfs/dbraw/zinc/38/73/16/163387316.db2.gz DKUVZQHHSUGMLV-IUDNXUCKSA-N 2 0 278.444 2.987 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCCCC2)[C@@H](C)C1 ZINC000353538880 163388592 /nfs/dbraw/zinc/38/85/92/163388592.db2.gz JRMZSEHOVKLLJU-JKSUJKDBSA-N 2 0 282.472 2.903 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353556867 163393377 /nfs/dbraw/zinc/39/33/77/163393377.db2.gz GKHHXMDOZRYRNS-CVEARBPZSA-N 2 0 287.451 2.884 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000651421494 413463139 /nfs/dbraw/zinc/46/31/39/413463139.db2.gz YSBZOSLVPYOONW-CABCVRRESA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1COc2ccccc21 ZINC000420403199 287021515 /nfs/dbraw/zinc/02/15/15/287021515.db2.gz KUIOYZLKTQZMAC-CJNGLKHVSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422729180 287039870 /nfs/dbraw/zinc/03/98/70/287039870.db2.gz BLCJDVOWCAAOJO-CPUCHLNUSA-N 2 0 290.455 2.655 20 0 CFADRP C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422911356 287065045 /nfs/dbraw/zinc/06/50/45/287065045.db2.gz KMTAILVLEASVEF-XOKHGSTOSA-N 2 0 258.409 2.738 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000430699542 287095705 /nfs/dbraw/zinc/09/57/05/287095705.db2.gz PVZTVWASTPJMSS-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)C[NH+](C)C ZINC000336787455 298770968 /nfs/dbraw/zinc/77/09/68/298770968.db2.gz FAAQGZQEEGALTO-VOMCLLRMSA-N 2 0 266.351 2.895 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000020129130 171016975 /nfs/dbraw/zinc/01/69/75/171016975.db2.gz YYYIWLJVGRMARP-ZDUSSCGKSA-N 2 0 250.361 2.962 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnn(C)c1 ZINC000020129493 171018097 /nfs/dbraw/zinc/01/80/97/171018097.db2.gz YCUHMSPCHODSGT-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP CC(C)COCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020147171 171033937 /nfs/dbraw/zinc/03/39/37/171033937.db2.gz LRZUGJNPQGHWPY-UHFFFAOYSA-N 2 0 256.434 2.512 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)C1CCCC1 ZINC000660660073 413476242 /nfs/dbraw/zinc/47/62/42/413476242.db2.gz DPXNBVCKZWQRKQ-DLBZAZTESA-N 2 0 280.456 2.609 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(COC)cs2)CC1 ZINC000657346500 413478262 /nfs/dbraw/zinc/47/82/62/413478262.db2.gz DRWKOTHURBVEQV-UHFFFAOYSA-N 2 0 282.453 2.716 20 0 CFADRP Cc1cnc(CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660660617 413479275 /nfs/dbraw/zinc/47/92/75/413479275.db2.gz ACOCXQGXIMULTM-GOSISDBHSA-N 2 0 287.451 2.659 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657355345 413492676 /nfs/dbraw/zinc/49/26/76/413492676.db2.gz JTVLHCFSEGTFON-GFCCVEGCSA-N 2 0 275.421 2.728 20 0 CFADRP CC[C@@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)OC ZINC000660680787 413495067 /nfs/dbraw/zinc/49/50/67/413495067.db2.gz XSJUHKYFFSHOCR-KRWDZBQOSA-N 2 0 276.424 2.666 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000651484436 413495240 /nfs/dbraw/zinc/49/52/40/413495240.db2.gz AVRVYLMEGWLHDP-ZIAGYGMSSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CO1 ZINC000657362978 413499888 /nfs/dbraw/zinc/49/98/88/413499888.db2.gz DDTFZHNQWRXJGR-MGPQQGTHSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000660699072 413505629 /nfs/dbraw/zinc/50/56/29/413505629.db2.gz VNBLMHAAGZOXHI-UHFFFAOYSA-N 2 0 294.483 2.639 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO1 ZINC000657385218 413533544 /nfs/dbraw/zinc/53/35/44/413533544.db2.gz SRJHFHOBHZQZMO-NVXWUHKLSA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000657387578 413539667 /nfs/dbraw/zinc/53/96/67/413539667.db2.gz XINBDONUXBTBME-DLBZAZTESA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCCCO1 ZINC000653874807 413553124 /nfs/dbraw/zinc/55/31/24/413553124.db2.gz LDOJWKGNVCQOPA-CVEARBPZSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000651674419 413561378 /nfs/dbraw/zinc/56/13/78/413561378.db2.gz OLFBLVODLJCCRO-RCCFBDPRSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676944 413562511 /nfs/dbraw/zinc/56/25/11/413562511.db2.gz SFFBZGWQJVWUCE-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651680873 413567077 /nfs/dbraw/zinc/56/70/77/413567077.db2.gz UTIFJZAESSMMTR-QLFBSQMISA-N 2 0 268.445 2.654 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651677462 413564293 /nfs/dbraw/zinc/56/42/93/413564293.db2.gz JIQFDCVGTWEZDP-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP c1cc2c(c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c1)CCC2 ZINC000651680379 413565314 /nfs/dbraw/zinc/56/53/14/413565314.db2.gz ITGAFPLPYKKQKZ-IRXDYDNUSA-N 2 0 270.420 2.892 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H]1CCSC1 ZINC000486952763 287267129 /nfs/dbraw/zinc/26/71/29/287267129.db2.gz YTJVJFXODMBERV-HUUCEWRRSA-N 2 0 270.486 2.984 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000651708845 413580317 /nfs/dbraw/zinc/58/03/17/413580317.db2.gz CGEUKYAFTCDTDB-CGTJXYLNSA-N 2 0 293.499 2.713 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CCCCS2)n(-c2cc[nH+]cc2)n1 ZINC000657432948 413597601 /nfs/dbraw/zinc/59/76/01/413597601.db2.gz WWSXRLTWKSFKRE-HNNXBMFYSA-N 2 0 288.420 2.643 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CO1 ZINC000657434048 413598855 /nfs/dbraw/zinc/59/88/55/413598855.db2.gz DWMHKEGFDDGZBL-SPUZQDLCSA-N 2 0 288.435 2.664 20 0 CFADRP Cc1ccc(C(C)(C)[NH2+]Cc2cnc3n2CCC3)cn1 ZINC000657434105 413599205 /nfs/dbraw/zinc/59/92/05/413599205.db2.gz FXFSZBIKBMYTMQ-UHFFFAOYSA-N 2 0 270.380 2.558 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000651733707 413599477 /nfs/dbraw/zinc/59/94/77/413599477.db2.gz QOGCCONZSLTKDM-ZJPYXAASSA-N 2 0 294.483 2.923 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CO1 ZINC000657434043 413600050 /nfs/dbraw/zinc/60/00/50/413600050.db2.gz DWMHKEGFDDGZBL-DZJNRPSUSA-N 2 0 288.435 2.664 20 0 CFADRP Cc1ccccc1C1(NC[C@@H](O)C[N@@H+](C)C(C)C)CCC1 ZINC000660910689 413647732 /nfs/dbraw/zinc/64/77/32/413647732.db2.gz NJHXEHBQVULYPH-MRXNPFEDSA-N 2 0 290.451 2.665 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651829839 413672552 /nfs/dbraw/zinc/67/25/52/413672552.db2.gz PERHXOYTVBXDKO-CYBMUJFWSA-N 2 0 273.380 2.649 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651829840 413673095 /nfs/dbraw/zinc/67/30/95/413673095.db2.gz PERHXOYTVBXDKO-ZDUSSCGKSA-N 2 0 273.380 2.649 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657439322 413607735 /nfs/dbraw/zinc/60/77/35/413607735.db2.gz BANAKZMQTRIJAF-CABCVRRESA-N 2 0 277.412 2.513 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000651753597 413615097 /nfs/dbraw/zinc/61/50/97/413615097.db2.gz YBCCWTDKSYMZEQ-OWCLPIDISA-N 2 0 270.461 2.902 20 0 CFADRP CC(C)CCC[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535538 413717302 /nfs/dbraw/zinc/71/73/02/413717302.db2.gz OSMDKZWQZIHTPV-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP c1ccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)noc2c1 ZINC000657533281 413717425 /nfs/dbraw/zinc/71/74/25/413717425.db2.gz KAKZLQIOTWJNJW-UONOGXRCSA-N 2 0 285.391 2.587 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000657550605 413732142 /nfs/dbraw/zinc/73/21/42/413732142.db2.gz JRIJNAKVYGZODR-GDBMZVCRSA-N 2 0 268.364 2.608 20 0 CFADRP CC(C)(C)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657611675 413791139 /nfs/dbraw/zinc/79/11/39/413791139.db2.gz CDCWGAKPYLDZNG-UHFFFAOYSA-N 2 0 275.440 2.929 20 0 CFADRP CC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612620 413792227 /nfs/dbraw/zinc/79/22/27/413792227.db2.gz BJAXAOQFSRUQQW-OAHLLOKOSA-N 2 0 275.440 2.929 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000657613522 413793530 /nfs/dbraw/zinc/79/35/30/413793530.db2.gz MISLQNZQCOAINL-VKJFTORMSA-N 2 0 287.451 2.928 20 0 CFADRP CCC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597662 413777723 /nfs/dbraw/zinc/77/77/23/413777723.db2.gz WGKOKYLCRSHTNE-CRAIPNDOSA-N 2 0 290.451 2.779 20 0 CFADRP CCc1cc(NCC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000664646694 413883590 /nfs/dbraw/zinc/88/35/90/413883590.db2.gz JNGBUUYRGXNDTC-UHFFFAOYSA-N 2 0 273.424 2.600 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000652222119 413837429 /nfs/dbraw/zinc/83/74/29/413837429.db2.gz GABFCLUVUDFIPF-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP COC[C@H]1CCCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652341376 413895897 /nfs/dbraw/zinc/89/58/97/413895897.db2.gz KROPKQKLNPSEOE-INIZCTEOSA-N 2 0 288.435 2.581 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352744 413901630 /nfs/dbraw/zinc/90/16/30/413901630.db2.gz STLMEYQNNCJVGP-HOCLYGCPSA-N 2 0 276.449 2.969 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000652352096 413902586 /nfs/dbraw/zinc/90/25/86/413902586.db2.gz DUBDXZOBASMOJD-XKQJLSEDSA-N 2 0 274.383 2.874 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@]2(C)CC2(C)C)cc1 ZINC000657761289 413912370 /nfs/dbraw/zinc/91/23/70/413912370.db2.gz INPRZSWIKZIZQH-KRWDZBQOSA-N 2 0 276.424 2.905 20 0 CFADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000664719672 413913312 /nfs/dbraw/zinc/91/33/12/413913312.db2.gz VQTVOGXODNNUGO-CYBMUJFWSA-N 2 0 291.439 2.557 20 0 CFADRP Cc1ccnc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285588059 196335752 /nfs/dbraw/zinc/33/57/52/196335752.db2.gz JCBXADBJLDWWLZ-UONOGXRCSA-N 2 0 259.397 2.525 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657863739 414013726 /nfs/dbraw/zinc/01/37/26/414013726.db2.gz VKTCKSLRJNUPKL-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661500851 414015577 /nfs/dbraw/zinc/01/55/77/414015577.db2.gz VLHYLCKOWFOTCS-BRWVUGGUSA-N 2 0 282.472 2.732 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657871985 414016382 /nfs/dbraw/zinc/01/63/82/414016382.db2.gz LUBKANQKXSKHLS-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nc1 ZINC000657812823 413961210 /nfs/dbraw/zinc/96/12/10/413961210.db2.gz GBUWVHOMPHBUAS-UHFFFAOYSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812490 413963322 /nfs/dbraw/zinc/96/33/22/413963322.db2.gz DRACIZAUKCJIST-BBRMVZONSA-N 2 0 250.430 2.887 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)CCC1 ZINC000657874015 414019177 /nfs/dbraw/zinc/01/91/77/414019177.db2.gz XOWHHVZHMQJUGS-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc2ccncc2s1 ZINC000657819238 413971406 /nfs/dbraw/zinc/97/14/06/413971406.db2.gz WEPRRMCEDSYEBF-LLVKDONJSA-N 2 0 263.410 2.899 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657823046 413974043 /nfs/dbraw/zinc/97/40/43/413974043.db2.gz HPIISXLSNRTONC-CYBMUJFWSA-N 2 0 256.459 2.736 20 0 CFADRP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000657825349 413977847 /nfs/dbraw/zinc/97/78/47/413977847.db2.gz YVFMEJNWXYILEW-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP CCOC1CCC([NH2+]CCC[N@H+](C)C(C)C)CC1 ZINC000657830292 413983783 /nfs/dbraw/zinc/98/37/83/413983783.db2.gz HAMRGJRKQBRBBW-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP CCOC1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000657840088 413989311 /nfs/dbraw/zinc/98/93/11/413989311.db2.gz LUPDTXMTYUIJER-LVDPKSTMSA-N 2 0 266.429 2.551 20 0 CFADRP COC1([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000657884062 414029488 /nfs/dbraw/zinc/02/94/88/414029488.db2.gz JCCJNFCJDZUPPI-ZDUSSCGKSA-N 2 0 294.414 2.935 20 0 CFADRP C[C@@H]([NH2+]CCc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000037209094 173030297 /nfs/dbraw/zinc/03/02/97/173030297.db2.gz UKXIIWLBVXYTCL-CYBMUJFWSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]([NH2+]Cc1ccccc1F)C1CC[NH+](C)CC1 ZINC000037210081 173032237 /nfs/dbraw/zinc/03/22/37/173032237.db2.gz ZKMVWIXWKSLLJS-GFCCVEGCSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422555733 298891673 /nfs/dbraw/zinc/89/16/73/298891673.db2.gz QZDBHMNCQHKEHD-KZYLPZIUSA-N 3 0 281.488 2.760 20 0 CFADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657941387 414067274 /nfs/dbraw/zinc/06/72/74/414067274.db2.gz UZSFLZAKFXSTEA-LLVKDONJSA-N 2 0 281.350 2.932 20 0 CFADRP C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969990 414079091 /nfs/dbraw/zinc/07/90/91/414079091.db2.gz XKFTYKQBKMPKTH-XHSDSOJGSA-N 2 0 292.467 2.941 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000658038831 414127746 /nfs/dbraw/zinc/12/77/46/414127746.db2.gz TZUPEYAAFHBVHP-IYXRBSQSSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc2cnccc2o1 ZINC000658046830 414128714 /nfs/dbraw/zinc/12/87/14/414128714.db2.gz MYCCFEFNWJKWGD-BZPMIXESSA-N 2 0 273.380 2.819 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CCF)C1 ZINC000661694797 414140030 /nfs/dbraw/zinc/14/00/30/414140030.db2.gz BGZITHBJWYBOGW-LSDHHAIUSA-N 2 0 256.409 2.932 20 0 CFADRP CC1(C)CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000658069828 414153960 /nfs/dbraw/zinc/15/39/60/414153960.db2.gz JBTGHAKLXCLJCL-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP COC1([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)CCC1 ZINC000658022479 414107493 /nfs/dbraw/zinc/10/74/93/414107493.db2.gz ATSZSRLKQUJMJF-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000658036109 414121910 /nfs/dbraw/zinc/12/19/10/414121910.db2.gz UKENAQIUNLPISG-UONOGXRCSA-N 2 0 256.459 2.594 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[C@H]2C[C@H]21 ZINC000665263528 414222116 /nfs/dbraw/zinc/22/21/16/414222116.db2.gz OHZCEIMYODRTIK-MHKQFDIHSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000665267462 414224964 /nfs/dbraw/zinc/22/49/64/414224964.db2.gz XAEHMORPPRRMKH-LSDHHAIUSA-N 2 0 267.461 2.501 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658137006 414228280 /nfs/dbraw/zinc/22/82/80/414228280.db2.gz GEXOPEGBSJFKHX-ROUUACIJSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665272857 414229586 /nfs/dbraw/zinc/22/95/86/414229586.db2.gz MLZVNBIEQCHNMM-JCGIZDLHSA-N 2 0 287.451 2.841 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665273956 414230657 /nfs/dbraw/zinc/23/06/57/414230657.db2.gz GVXJKGMQYSLWIK-CQLXCSJHSA-N 2 0 258.356 2.671 20 0 CFADRP CO[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])C1CCCC1 ZINC000665275299 414235242 /nfs/dbraw/zinc/23/52/42/414235242.db2.gz GUMQTLDTVUNSMJ-JCGIZDLHSA-N 2 0 290.451 2.740 20 0 CFADRP CO[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C1CCCC1 ZINC000665275610 414235330 /nfs/dbraw/zinc/23/53/30/414235330.db2.gz NSWDVHLZBNHQDV-YVEFUNNKSA-N 2 0 291.439 2.705 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000658088832 414181048 /nfs/dbraw/zinc/18/10/48/414181048.db2.gz WCCSEJXOZZXOPM-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP COC1CC(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000665230196 414189645 /nfs/dbraw/zinc/18/96/45/414189645.db2.gz LBYFFGLJVGQKMQ-UQZDFYISSA-N 2 0 260.381 2.536 20 0 CFADRP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccccn1 ZINC000665232359 414190983 /nfs/dbraw/zinc/19/09/83/414190983.db2.gz LKJOYNBYLOTLNC-VKJFTORMSA-N 2 0 283.419 2.733 20 0 CFADRP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000665236068 414192652 /nfs/dbraw/zinc/19/26/52/414192652.db2.gz GRCJTKNJYMTNBL-MWDXBVQZSA-N 2 0 293.499 2.760 20 0 CFADRP CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000665234919 414194229 /nfs/dbraw/zinc/19/42/29/414194229.db2.gz MGSMCKPDNYOMLQ-VBNZEHGJSA-N 2 0 264.388 2.877 20 0 CFADRP C[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(Cl)c(F)c1 ZINC000665277523 414238675 /nfs/dbraw/zinc/23/86/75/414238675.db2.gz DHIHRZACGHVKED-IPWFMCSPSA-N 2 0 268.763 2.882 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239221 414197705 /nfs/dbraw/zinc/19/77/05/414197705.db2.gz OELKKETTWLRASL-DOTOQJQBSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000665239393 414198030 /nfs/dbraw/zinc/19/80/30/414198030.db2.gz SNFWZTXDLKGGGE-WMLDXEAASA-N 2 0 283.419 2.755 20 0 CFADRP C[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000665244202 414202444 /nfs/dbraw/zinc/20/24/44/414202444.db2.gz ILVYBJRFRRLEGV-KISBBLTOSA-N 2 0 270.420 2.693 20 0 CFADRP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658106276 414205627 /nfs/dbraw/zinc/20/56/27/414205627.db2.gz AKWSAUVUXPGFJK-DLBZAZTESA-N 2 0 291.483 2.918 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)o1 ZINC000658110615 414209967 /nfs/dbraw/zinc/20/99/67/414209967.db2.gz ZLQHBLDEAAQNBM-DZGCQCFKSA-N 2 0 281.444 2.511 20 0 CFADRP CC(C)(F)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665262219 414218210 /nfs/dbraw/zinc/21/82/10/414218210.db2.gz WHPMRRZNQHWIEP-RHSMWYFYSA-N 2 0 292.398 2.970 20 0 CFADRP Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCCSC2)cc1 ZINC000665257953 414218386 /nfs/dbraw/zinc/21/83/86/414218386.db2.gz ZPOFQOVJUCNWQA-PMPSAXMXSA-N 2 0 294.439 2.756 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000665281227 414242500 /nfs/dbraw/zinc/24/25/00/414242500.db2.gz XUOOCNDGWQPJGI-HZPDHXFCSA-N 2 0 278.465 2.980 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc2c(c1)OCCO2 ZINC000665280578 414244406 /nfs/dbraw/zinc/24/44/06/414244406.db2.gz GSTOJRYPCHQQNQ-CABCVRRESA-N 2 0 292.423 2.872 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281375 414245551 /nfs/dbraw/zinc/24/55/51/414245551.db2.gz ANOWVIDCBFKWEX-FVQBIDKESA-N 2 0 264.413 2.726 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000665281552 414246697 /nfs/dbraw/zinc/24/66/97/414246697.db2.gz GQOSLRBWBKQOMZ-ZJIFWQFVSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000665283693 414252864 /nfs/dbraw/zinc/25/28/64/414252864.db2.gz SFOKUAYTXTUZDU-KJWHGJJOSA-N 2 0 280.456 2.687 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000665300022 414271698 /nfs/dbraw/zinc/27/16/98/414271698.db2.gz WXAHYSUPJSDMHZ-OAGGEKHMSA-N 2 0 296.418 2.719 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299318 414273127 /nfs/dbraw/zinc/27/31/27/414273127.db2.gz KFSNJCSWSOPKRU-GOEBONIOSA-N 2 0 298.434 2.967 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3-n3ccnc32)C1 ZINC000665300023 414273476 /nfs/dbraw/zinc/27/34/76/414273476.db2.gz WXAHYSUPJSDMHZ-OWCLPIDISA-N 2 0 296.418 2.719 20 0 CFADRP FC(F)(F)c1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000665300093 414273718 /nfs/dbraw/zinc/27/37/18/414273718.db2.gz YGFGXEHSGFKOKM-NTZNESFSSA-N 2 0 299.340 2.578 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC(F)(F)F ZINC000665301143 414276865 /nfs/dbraw/zinc/27/68/65/414276865.db2.gz PCRMUWLSFVHHEK-ZJUUUORDSA-N 2 0 252.324 2.825 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000658205883 414281035 /nfs/dbraw/zinc/28/10/35/414281035.db2.gz KKWUGPUPLIWLGZ-YCPHGPKFSA-N 2 0 250.430 2.885 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@H]2CCC[C@@H]21 ZINC000658218209 414292484 /nfs/dbraw/zinc/29/24/84/414292484.db2.gz CYJHGOKGKHFLSM-ZOBORPQBSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)O1 ZINC000658220248 414292553 /nfs/dbraw/zinc/29/25/53/414292553.db2.gz PEUWLWBYNNVLCU-HIFRSBDPSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000658222200 414297279 /nfs/dbraw/zinc/29/72/79/414297279.db2.gz QAEQCWPMOZGUHO-WCQYABFASA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658227715 414299167 /nfs/dbraw/zinc/29/91/67/414299167.db2.gz BUICKGRNXJKDEP-NUJGCVRESA-N 2 0 293.499 2.713 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)C1CC[NH+](C)CC1 ZINC000658238545 414309008 /nfs/dbraw/zinc/30/90/08/414309008.db2.gz JXEPNQVCHZPJPA-SJCJKPOMSA-N 2 0 274.408 2.699 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655680684 414356827 /nfs/dbraw/zinc/35/68/27/414356827.db2.gz QNXNOSYHGQBHSB-LSDHHAIUSA-N 2 0 278.444 2.818 20 0 CFADRP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000658313157 414366412 /nfs/dbraw/zinc/36/64/12/414366412.db2.gz BYLGVNSXTFMODA-MRXNPFEDSA-N 2 0 268.445 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCC2)[C@@H](C)C1 ZINC000658315136 414370268 /nfs/dbraw/zinc/37/02/68/414370268.db2.gz MCTRXOCBOORGGQ-CWRNSKLLSA-N 2 0 268.445 2.512 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655698463 414372060 /nfs/dbraw/zinc/37/20/60/414372060.db2.gz FEIYZKIJUZCTRX-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000658330034 414378651 /nfs/dbraw/zinc/37/86/51/414378651.db2.gz BRLDYYDCGKXYDD-SVGFKBNWSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655704654 414379408 /nfs/dbraw/zinc/37/94/08/414379408.db2.gz HKSVRTWWTDATSI-GXTWGEPZSA-N 2 0 256.459 2.733 20 0 CFADRP c1ncc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968080 414317722 /nfs/dbraw/zinc/31/77/22/414317722.db2.gz UHEIKAVIGCRAOB-NCXUSEDFSA-N 2 0 297.446 2.765 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000655755217 414410361 /nfs/dbraw/zinc/41/03/61/414410361.db2.gz SNLDOKTZFMCPAA-KBPBESRZSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CS1 ZINC000655755218 414411222 /nfs/dbraw/zinc/41/12/22/414411222.db2.gz SNLDOKTZFMCPAA-KGLIPLIRSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000655774886 414423470 /nfs/dbraw/zinc/42/34/70/414423470.db2.gz KUIGLJPOLGJTIL-DGCLKSJQSA-N 2 0 261.394 2.708 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000655774915 414424148 /nfs/dbraw/zinc/42/41/48/414424148.db2.gz MADDLHVYGQYNHT-CHWSQXEVSA-N 2 0 256.459 2.735 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000655776836 414426233 /nfs/dbraw/zinc/42/62/33/414426233.db2.gz MHNKARRMZLELQM-RJZJGCCBSA-N 2 0 256.459 2.733 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655786268 414432788 /nfs/dbraw/zinc/43/27/88/414432788.db2.gz OOAIQBFJLQGNHU-SJORKVTESA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)(C)O[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000655839930 414473162 /nfs/dbraw/zinc/47/31/62/414473162.db2.gz YYTQLNCNTFDAGL-AJNGGQMLSA-N 2 0 266.429 2.549 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCC1CC1)CC1CC1 ZINC000662179404 414447116 /nfs/dbraw/zinc/44/71/16/414447116.db2.gz OFHOJINIFFCWJX-INIZCTEOSA-N 2 0 250.430 2.983 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000655804549 414448725 /nfs/dbraw/zinc/44/87/25/414448725.db2.gz ZLRKORSVGSZHLC-DVOMOZLQSA-N 2 0 274.408 2.699 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000655803755 414448740 /nfs/dbraw/zinc/44/87/40/414448740.db2.gz CZFGJOPJLILJQZ-VBQJREDUSA-N 2 0 273.424 2.863 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803791 414449047 /nfs/dbraw/zinc/44/90/47/414449047.db2.gz DNQQCILMJIGWLN-XJNFMUPTSA-N 2 0 276.424 2.692 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H]1OC ZINC000655805388 414450555 /nfs/dbraw/zinc/45/05/55/414450555.db2.gz MYPLCUONGGTYDC-LXTVHRRPSA-N 2 0 268.445 2.510 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CC2 ZINC000655806414 414450632 /nfs/dbraw/zinc/45/06/32/414450632.db2.gz UUOVGBFMVGFJAT-QEORTHHSSA-N 2 0 274.408 2.612 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000655806688 414450837 /nfs/dbraw/zinc/45/08/37/414450837.db2.gz ZLGFIYLKBMLGCK-ZIBATOQPSA-N 2 0 268.351 2.956 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805386 414450863 /nfs/dbraw/zinc/45/08/63/414450863.db2.gz MYPLCUONGGTYDC-LJISPDSOSA-N 2 0 268.445 2.510 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655806787 414450966 /nfs/dbraw/zinc/45/09/66/414450966.db2.gz BIPSBUYFZBYVQH-RVSPLBMKSA-N 2 0 289.423 2.636 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc2c(c1)COC2 ZINC000655806216 414451351 /nfs/dbraw/zinc/45/13/51/414451351.db2.gz ROYDWCJITKYHQJ-GDZNZVCISA-N 2 0 274.408 2.708 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C)c1 ZINC000655806520 414451412 /nfs/dbraw/zinc/45/14/12/414451412.db2.gz BEDIXFUCFCQECX-CGTJXYLNSA-N 2 0 287.451 2.703 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000655807410 414451867 /nfs/dbraw/zinc/45/18/67/414451867.db2.gz LHQUVDZDSSCGMM-RWMBFGLXSA-N 2 0 250.361 2.817 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000655807746 414451880 /nfs/dbraw/zinc/45/18/80/414451880.db2.gz UEHOSZMREMBOKF-NRXJUOJASA-N 2 0 262.441 2.741 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)C1C(C)(C)C1(C)C ZINC000655806140 414451896 /nfs/dbraw/zinc/45/18/96/414451896.db2.gz ZWRZNLCOFKGAQX-RWMBFGLXSA-N 2 0 252.446 2.987 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc2cccnc12 ZINC000655826545 414462175 /nfs/dbraw/zinc/46/21/75/414462175.db2.gz IDLHYFKCPGXMPJ-WOVMCDHWSA-N 2 0 283.419 2.973 20 0 CFADRP Cc1ncc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1-c1ccccc1 ZINC000655826492 414462517 /nfs/dbraw/zinc/46/25/17/414462517.db2.gz GGDMRPGHEFQGOT-WOVMCDHWSA-N 3 0 298.434 2.611 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC000662247299 414473804 /nfs/dbraw/zinc/47/38/04/414473804.db2.gz ZAZIBVNGRNLALS-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655827010 414464064 /nfs/dbraw/zinc/46/40/64/414464064.db2.gz MRCLQHQDRVVXQK-GASCZTMLSA-N 2 0 262.397 2.515 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827013 414464182 /nfs/dbraw/zinc/46/41/82/414464182.db2.gz MTAWZPBPOATBDL-GASCZTMLSA-N 2 0 292.471 2.685 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827556 414464413 /nfs/dbraw/zinc/46/44/13/414464413.db2.gz UBEORESAKLXWBJ-WOVMCDHWSA-N 2 0 277.456 2.964 20 0 CFADRP COCCC1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000655827012 414464428 /nfs/dbraw/zinc/46/44/28/414464428.db2.gz MSNYKFKCAXBEKC-IYBDPMFKSA-N 2 0 282.472 2.903 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000655831163 414465783 /nfs/dbraw/zinc/46/57/83/414465783.db2.gz FBJGQDYVJFFFPY-UKRRQHHQSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658353130 414397268 /nfs/dbraw/zinc/39/72/68/414397268.db2.gz KGGUTCMLIXOXTF-AWEZNQCLSA-N 2 0 276.424 2.922 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CCN(CC4CC4)C3)ccc2[nH]1 ZINC000655733983 414397377 /nfs/dbraw/zinc/39/73/77/414397377.db2.gz WQLZCANWEVANJR-MRXNPFEDSA-N 2 0 269.392 2.742 20 0 CFADRP C([NH2+][C@@H]1CCCSCC1)C1CC[NH+](CC2CC2)CC1 ZINC000658351818 414398786 /nfs/dbraw/zinc/39/87/86/414398786.db2.gz APIKLDWFXYPPHU-MRXNPFEDSA-N 2 0 282.497 2.984 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccn1 ZINC000658355167 414401377 /nfs/dbraw/zinc/40/13/77/414401377.db2.gz HXJBKUIOHVJQIA-CQSZACIVSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1cc(C)[nH+]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655746184 414405146 /nfs/dbraw/zinc/40/51/46/414405146.db2.gz PFDIPJROEPUQHQ-MRXNPFEDSA-N 2 0 289.423 2.754 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C1CCCCC1 ZINC000662247333 414474184 /nfs/dbraw/zinc/47/41/84/414474184.db2.gz XCXFXMCZWYGZEP-VNQPRFMTSA-N 2 0 268.445 2.641 20 0 CFADRP COC1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655848479 414475999 /nfs/dbraw/zinc/47/59/99/414475999.db2.gz FRACALPQYXEJOT-QDIHITRGSA-N 2 0 266.429 2.551 20 0 CFADRP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250785 414476752 /nfs/dbraw/zinc/47/67/52/414476752.db2.gz NVZHHGFWTRKBNZ-DOMZBBRYSA-N 2 0 294.826 2.854 20 0 CFADRP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251619 414476803 /nfs/dbraw/zinc/47/68/03/414476803.db2.gz GTUMTQLYXUBWCQ-GXTWGEPZSA-N 2 0 292.448 2.578 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)C1(C)C ZINC000655849162 414477021 /nfs/dbraw/zinc/47/70/21/414477021.db2.gz PSHOBRDQMDHDGZ-XUWVNRHRSA-N 2 0 280.456 2.797 20 0 CFADRP CC1CCC([N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)CC1 ZINC000662252511 414477031 /nfs/dbraw/zinc/47/70/31/414477031.db2.gz OYPXIZLXOJERTN-XUJLQICISA-N 2 0 278.440 2.551 20 0 CFADRP CCC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248625 414477208 /nfs/dbraw/zinc/47/72/08/414477208.db2.gz IABBIYBODBDOHC-QGZVFWFLSA-N 2 0 288.435 2.728 20 0 CFADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1ccc(F)cc1 ZINC000662251640 414477355 /nfs/dbraw/zinc/47/73/55/414477355.db2.gz GZFUFAAKTSBEOZ-XJKSGUPXSA-N 2 0 292.398 2.730 20 0 CFADRP CO[C@H](C[NH2+][C@@](C)(C[NH3+])C(C)C)C1CCCCC1 ZINC000662250099 414477779 /nfs/dbraw/zinc/47/77/79/414477779.db2.gz YAYCMSPGZRYLQQ-CABCVRRESA-N 2 0 256.434 2.545 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@H](C)C1 ZINC000655850012 414478235 /nfs/dbraw/zinc/47/82/35/414478235.db2.gz BEEAQNZNXQLHBS-PMPSAXMXSA-N 2 0 280.456 2.798 20 0 CFADRP CCCC[N@H+](CCOC)Cc1cccc2c1CC[NH2+]C2 ZINC000662256368 414478415 /nfs/dbraw/zinc/47/84/15/414478415.db2.gz VJTIAKSKZNFMFD-UHFFFAOYSA-N 2 0 276.424 2.581 20 0 CFADRP CC(C)[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255774 414479419 /nfs/dbraw/zinc/47/94/19/414479419.db2.gz RIGMENKPHPKGAG-SJORKVTESA-N 2 0 288.435 2.837 20 0 CFADRP C(C1CC1)[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCCC1 ZINC000662255119 414479585 /nfs/dbraw/zinc/47/95/85/414479585.db2.gz AAVKQKOPAIFXQE-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255372 414480126 /nfs/dbraw/zinc/48/01/26/414480126.db2.gz OVEKLGVCGSZICI-RDJZCZTQSA-N 2 0 286.419 2.517 20 0 CFADRP CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264460 414480777 /nfs/dbraw/zinc/48/07/77/414480777.db2.gz DHGPWTOTXRAIBI-GDBMZVCRSA-N 2 0 250.430 2.888 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@@H](OC)C2CCCCC2)CC1 ZINC000662263437 414481178 /nfs/dbraw/zinc/48/11/78/414481178.db2.gz BHIPRKQXMTVTJG-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCSc1ccc(F)cc1F ZINC000662263346 414482164 /nfs/dbraw/zinc/48/21/64/414482164.db2.gz ACFUODATLXRBKP-WDEREUQCSA-N 2 0 286.391 2.726 20 0 CFADRP CCC(CC)[N@H+](CC(C)C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258893 414482670 /nfs/dbraw/zinc/48/26/70/414482670.db2.gz NSVMCZGJURDTGJ-OAHLLOKOSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](CC(F)F)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662272383 414488449 /nfs/dbraw/zinc/48/84/49/414488449.db2.gz FLFHNOVFKVVYCF-TZMCWYRMSA-N 2 0 274.399 2.989 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C1CCCCC1 ZINC000662272772 414488470 /nfs/dbraw/zinc/48/84/70/414488470.db2.gz PLVHDVZLQFNLIM-HOCLYGCPSA-N 2 0 268.445 2.643 20 0 CFADRP CO[C@H](C[N@H+](CCC[NH3+])Cc1ccccc1)C1CCC1 ZINC000662273086 414488807 /nfs/dbraw/zinc/48/88/07/414488807.db2.gz SIKRAVSFRBNDMO-QGZVFWFLSA-N 2 0 276.424 2.653 20 0 CFADRP CC[C@@H]1C[N@H+](CCSc2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000662273355 414489190 /nfs/dbraw/zinc/48/91/90/414489190.db2.gz URKIUDAVAXCZRL-CZUORRHYSA-N 2 0 294.464 2.847 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCC1 ZINC000662273043 414489551 /nfs/dbraw/zinc/48/95/51/414489551.db2.gz KFRVGTOGQJVBCA-CVEARBPZSA-N 2 0 250.430 2.888 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H](OC)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000662271851 414489685 /nfs/dbraw/zinc/48/96/85/414489685.db2.gz JNDMIJRIWUOROT-KBMXLJTQSA-N 2 0 268.445 2.641 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000662274063 414490978 /nfs/dbraw/zinc/49/09/78/414490978.db2.gz SZDKQFBURQITAO-QZTJIDSGSA-N 2 0 288.435 2.696 20 0 CFADRP c1ccc(COCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000662275434 414491072 /nfs/dbraw/zinc/49/10/72/414491072.db2.gz CJBNOZRVDWQMQN-QZTJIDSGSA-N 2 0 288.435 2.667 20 0 CFADRP c1cc2c(s1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662275857 414491337 /nfs/dbraw/zinc/49/13/37/414491337.db2.gz BJJIBGMBGCGDDZ-UHFFFAOYSA-N 2 0 284.428 2.952 20 0 CFADRP CC(C)(C)[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662280543 414492126 /nfs/dbraw/zinc/49/21/26/414492126.db2.gz FTVRHSMPMGAESB-HZPDHXFCSA-N 2 0 288.435 2.884 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659303573 414492931 /nfs/dbraw/zinc/49/29/31/414492931.db2.gz PEGWVTVZFUZAOZ-QGZVFWFLSA-N 2 0 295.386 2.579 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655936639 414494084 /nfs/dbraw/zinc/49/40/84/414494084.db2.gz JILGWUNNAWAILV-LBPRGKRZSA-N 2 0 282.378 2.957 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1CCOCc1ccccc1)CC[NH2+]CC2 ZINC000662284509 414494322 /nfs/dbraw/zinc/49/43/22/414494322.db2.gz WDLFDUMFBFPWIP-INIZCTEOSA-N 2 0 288.435 2.667 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000655939410 414494532 /nfs/dbraw/zinc/49/45/32/414494532.db2.gz PNARPCYTQNQTFE-WBMJQRKESA-N 2 0 282.378 2.957 20 0 CFADRP CC(C)=CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662283959 414494731 /nfs/dbraw/zinc/49/47/31/414494731.db2.gz DSXJXXAXXPVVAS-JYJNAYRXSA-N 2 0 266.429 2.561 20 0 CFADRP CC(C)=CCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662282994 414495173 /nfs/dbraw/zinc/49/51/73/414495173.db2.gz YZGCIMZVUALRCU-CVEARBPZSA-N 2 0 266.429 2.561 20 0 CFADRP C[C@@H]1CN(CCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000655938260 414496013 /nfs/dbraw/zinc/49/60/13/414496013.db2.gz QFYOLTQLUDFGBM-IAQYHMDHSA-N 2 0 268.351 2.567 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000655938150 414496233 /nfs/dbraw/zinc/49/62/33/414496233.db2.gz NTDDAIFQTWGHMR-UHFFFAOYSA-N 2 0 287.407 2.692 20 0 CFADRP C[C@H](c1ccncc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293967 414496471 /nfs/dbraw/zinc/49/64/71/414496471.db2.gz VPHYJEYGPGOMKN-PBHICJAKSA-N 2 0 273.424 2.854 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)oc1C ZINC000662293513 414496582 /nfs/dbraw/zinc/49/65/82/414496582.db2.gz LRXQQWHBQVXKPY-HNNXBMFYSA-N 2 0 277.412 2.503 20 0 CFADRP COCCCCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292552 414497122 /nfs/dbraw/zinc/49/71/22/414497122.db2.gz NXEDEPGUTKZISA-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCc2ccccc21 ZINC000662285096 414497248 /nfs/dbraw/zinc/49/72/48/414497248.db2.gz WLINSGGZKLEMEH-BMFZPTHFSA-N 2 0 258.409 2.918 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000662293045 414497906 /nfs/dbraw/zinc/49/79/06/414497906.db2.gz IUKNKOYVKKHVCG-ZWKOTPCHSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC[C@H]1CCc2ccccc21 ZINC000662285097 414498147 /nfs/dbraw/zinc/49/81/47/414498147.db2.gz WLINSGGZKLEMEH-FVQBIDKESA-N 2 0 258.409 2.918 20 0 CFADRP C(C[NH+]1CCC(C2CCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000662298795 414498842 /nfs/dbraw/zinc/49/88/42/414498842.db2.gz GWHZYRFCEVXOCZ-AWEZNQCLSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000662296138 414499937 /nfs/dbraw/zinc/49/99/37/414499937.db2.gz XYQCVFOMQOXUFM-UKRRQHHQSA-N 2 0 277.412 2.756 20 0 CFADRP [NH3+]C[C@H]1CCc2ccccc2N1CCC[NH+]1CCCCC1 ZINC000662304859 414500588 /nfs/dbraw/zinc/50/05/88/414500588.db2.gz NCQHUYMMBOPXMY-QGZVFWFLSA-N 2 0 287.451 2.643 20 0 CFADRP COc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)cc1F ZINC000662306815 414502379 /nfs/dbraw/zinc/50/23/79/414502379.db2.gz TVGIPLFLBMHESB-CZUORRHYSA-N 2 0 292.398 2.971 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662312402 414504288 /nfs/dbraw/zinc/50/42/88/414504288.db2.gz FZSFTMBITGUTKI-KURKYZTESA-N 2 0 292.467 2.753 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317258 414504759 /nfs/dbraw/zinc/50/47/59/414504759.db2.gz PKVNWJNLVIGSBR-HZPDHXFCSA-N 3 0 269.477 2.558 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319173 414506073 /nfs/dbraw/zinc/50/60/73/414506073.db2.gz GBOIHLSLKKDSRS-QGZVFWFLSA-N 2 0 290.451 2.846 20 0 CFADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000662325852 414507581 /nfs/dbraw/zinc/50/75/81/414507581.db2.gz RFVVNZQBZLKGMQ-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000662381868 414527607 /nfs/dbraw/zinc/52/76/07/414527607.db2.gz IHAZZDKOFQIYOA-INIZCTEOSA-N 2 0 289.423 2.609 20 0 CFADRP [NH3+]CCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000656195053 414529784 /nfs/dbraw/zinc/52/97/84/414529784.db2.gz SZSZTTHDPNKLJS-UHFFFAOYSA-N 2 0 274.286 2.513 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193183 414530722 /nfs/dbraw/zinc/53/07/22/414530722.db2.gz XYAHFQMLVMYNEU-QWHCGFSZSA-N 2 0 268.788 2.708 20 0 CFADRP COc1cccc2c1OCC[C@@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000656194598 414531060 /nfs/dbraw/zinc/53/10/60/414531060.db2.gz MBAFUZGYTKHNNY-PIMMBPRGSA-N 2 0 290.407 2.626 20 0 CFADRP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000656196858 414531660 /nfs/dbraw/zinc/53/16/60/414531660.db2.gz PTJAYDJXJGCJBW-UONOGXRCSA-N 2 0 264.438 2.947 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(C)c1 ZINC000656201188 414533963 /nfs/dbraw/zinc/53/39/63/414533963.db2.gz USIDISGODWHMSA-CGTJXYLNSA-N 2 0 287.451 2.751 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000656198695 414533980 /nfs/dbraw/zinc/53/39/80/414533980.db2.gz CICAWKCXKCXONL-OWCLPIDISA-N 2 0 262.397 2.624 20 0 CFADRP CCC(C)(C)[NH+]1CCN([C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000656199730 414534422 /nfs/dbraw/zinc/53/44/22/414534422.db2.gz BQGISCMDLPPIRW-SJORKVTESA-N 2 0 287.451 2.937 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000656201063 414535129 /nfs/dbraw/zinc/53/51/29/414535129.db2.gz JGIYBQCFVDTZRE-OAUYIBNBSA-N 2 0 267.376 2.747 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000656201061 414535174 /nfs/dbraw/zinc/53/51/74/414535174.db2.gz JGIYBQCFVDTZRE-DQYPLSBCSA-N 2 0 267.376 2.747 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659847759 414584274 /nfs/dbraw/zinc/58/42/74/414584274.db2.gz QVBFZNSGDMKEPA-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)(C)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000659851276 414586479 /nfs/dbraw/zinc/58/64/79/414586479.db2.gz YOZOORRBDXSJOE-GJZGRUSLSA-N 2 0 258.409 2.635 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000659947179 414627611 /nfs/dbraw/zinc/62/76/11/414627611.db2.gz JUWXCDMZCJVIIG-RDJZCZTQSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000659871177 414601388 /nfs/dbraw/zinc/60/13/88/414601388.db2.gz OOQVZOIAFPYHNW-FGTMMUONSA-N 2 0 293.499 2.525 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCC2CCC2)CC1 ZINC000659911743 414613080 /nfs/dbraw/zinc/61/30/80/414613080.db2.gz ZVBPIUDUPOUGJG-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCC1 ZINC000659947172 414628042 /nfs/dbraw/zinc/62/80/42/414628042.db2.gz JUWXCDMZCJVIIG-DOTOQJQBSA-N 2 0 280.456 2.609 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCC1 ZINC000659944347 414625303 /nfs/dbraw/zinc/62/53/03/414625303.db2.gz JHBDOGVLRFMOHM-IAGOWNOFSA-N 2 0 280.456 2.752 20 0 CFADRP c1cc2cc(NC3CC[NH+]([C@H]4CCOC4)CC3)ccc2c[nH+]1 ZINC000656263235 414551869 /nfs/dbraw/zinc/55/18/69/414551869.db2.gz FDESCVVAAOSGRR-SFHVURJKSA-N 2 0 297.402 2.900 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC000656269793 414553797 /nfs/dbraw/zinc/55/37/97/414553797.db2.gz USUBCZMBHHDNCR-OTVXOJSOSA-N 2 0 266.816 2.812 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000656270079 414555712 /nfs/dbraw/zinc/55/57/12/414555712.db2.gz XSVRUIAOCQZVJW-MXASKKJJSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C3CCCC3)CC2)C1 ZINC000659836655 414578065 /nfs/dbraw/zinc/57/80/65/414578065.db2.gz SWKGQWODBMEOTD-IAGOWNOFSA-N 2 0 293.499 2.525 20 0 CFADRP CO[C@@H](C[NH+]1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000659838278 414578750 /nfs/dbraw/zinc/57/87/50/414578750.db2.gz LORAUWXFOPVFCQ-INIZCTEOSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)ns2)CC1 ZINC000659843313 414582438 /nfs/dbraw/zinc/58/24/38/414582438.db2.gz QNOGRNFKTRERRO-UHFFFAOYSA-N 2 0 297.468 2.706 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000659843654 414582658 /nfs/dbraw/zinc/58/26/58/414582658.db2.gz XQRQCZSHWUGVGT-QGZVFWFLSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[C@@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659970571 414635504 /nfs/dbraw/zinc/63/55/04/414635504.db2.gz KNFMCQQZTKMXEX-CVEARBPZSA-N 2 0 270.461 2.590 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1 ZINC000656694478 414639337 /nfs/dbraw/zinc/63/93/37/414639337.db2.gz RKOSXLVGMFRHLF-UHFFFAOYSA-N 2 0 292.398 2.561 20 0 CFADRP C[C@@H](C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCCCC1 ZINC000038041782 174042878 /nfs/dbraw/zinc/04/28/78/174042878.db2.gz JKJTYCSNVWCXLI-ZDUSSCGKSA-N 2 0 250.430 2.887 20 0 CFADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660108707 414663869 /nfs/dbraw/zinc/66/38/69/414663869.db2.gz YUBVOCMUPBMQBC-XMTFNYHQSA-N 2 0 293.499 2.523 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(C)c1O ZINC000040622437 174355100 /nfs/dbraw/zinc/35/51/00/174355100.db2.gz PSZUQRJHHJPXRU-OAHLLOKOSA-N 2 0 276.424 2.829 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccco2)C1 ZINC000040622615 174355832 /nfs/dbraw/zinc/35/58/32/174355832.db2.gz ASWCSHIWRRVPSQ-LSDHHAIUSA-N 2 0 264.413 2.921 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC000040640571 174364466 /nfs/dbraw/zinc/36/44/66/174364466.db2.gz YOTKBTSVWYRITB-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP CCC1(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CCOCC1 ZINC000663346876 414677694 /nfs/dbraw/zinc/67/76/94/414677694.db2.gz WMPQUJHEHBJANI-KRWDZBQOSA-N 2 0 294.483 2.905 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc3cccnc32)CC1 ZINC000044516050 175189964 /nfs/dbraw/zinc/18/99/64/175189964.db2.gz XPYUQXQGFSVRNM-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000044515476 175190096 /nfs/dbraw/zinc/19/00/96/175190096.db2.gz GXTSSENOYLIIHH-NSHDSACASA-N 2 0 268.351 2.957 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000044515517 175190134 /nfs/dbraw/zinc/19/01/34/175190134.db2.gz JLLRCYKWSLBDPD-UHFFFAOYSA-N 2 0 252.789 2.771 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000044517654 175190438 /nfs/dbraw/zinc/19/04/38/175190438.db2.gz YWOKDGLUVJWBPQ-UHFFFAOYSA-N 2 0 276.424 2.831 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000044517693 175190534 /nfs/dbraw/zinc/19/05/34/175190534.db2.gz BCMUZESMKPPMNR-AWEZNQCLSA-N 2 0 264.413 2.922 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000044517335 175190537 /nfs/dbraw/zinc/19/05/37/175190537.db2.gz MCJGMKCWNOSXPY-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000044517689 175190604 /nfs/dbraw/zinc/19/06/04/175190604.db2.gz AHPAZUADVJQOLP-UHFFFAOYSA-N 2 0 256.777 2.755 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000044529847 175193913 /nfs/dbraw/zinc/19/39/13/175193913.db2.gz BQQBYACFAUXAJA-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000044534724 175197636 /nfs/dbraw/zinc/19/76/36/175197636.db2.gz IGWWELIJBATUPX-OLZOCXBDSA-N 2 0 250.361 2.818 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044534091 175197652 /nfs/dbraw/zinc/19/76/52/175197652.db2.gz XWEKREIXZNLOQO-GDBMZVCRSA-N 2 0 276.424 2.558 20 0 CFADRP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000044534491 175197847 /nfs/dbraw/zinc/19/78/47/175197847.db2.gz RTEMWCLPBNLMSL-UONOGXRCSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000422821447 289773285 /nfs/dbraw/zinc/77/32/85/289773285.db2.gz WGICHHLTWUPBRI-XWLWVQCSSA-N 2 0 252.324 2.823 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCO1 ZINC000423540098 287307614 /nfs/dbraw/zinc/30/76/14/287307614.db2.gz CXCLYPVLLVTNBJ-NQNKBUKLSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2F)C[C@@H](C)O1 ZINC000067452750 175775598 /nfs/dbraw/zinc/77/55/98/175775598.db2.gz LKXNADXAWUTCKF-HUUCEWRRSA-N 2 0 294.414 2.805 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070534421 175975366 /nfs/dbraw/zinc/97/53/66/175975366.db2.gz JGJGSNSTRRVENU-AWEZNQCLSA-N 2 0 262.397 2.646 20 0 CFADRP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071141947 176040129 /nfs/dbraw/zinc/04/01/29/176040129.db2.gz ZUCTWWPKVHCXPP-DOMZBBRYSA-N 2 0 250.361 2.818 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423222969 298960814 /nfs/dbraw/zinc/96/08/14/298960814.db2.gz DJOCOXDREBHTQW-GWCFXTLKSA-N 2 0 268.788 2.881 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000422793903 298963606 /nfs/dbraw/zinc/96/36/06/298963606.db2.gz YPCYMPIIUZBDNQ-GVAFMPQTSA-N 2 0 280.387 2.761 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000393590577 270308079 /nfs/dbraw/zinc/30/80/79/270308079.db2.gz IDPJQTZILOEKGU-SOUVJXGZSA-N 2 0 282.472 2.684 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000151082354 287345265 /nfs/dbraw/zinc/34/52/65/287345265.db2.gz QWFUFPQGAVRFJT-BZUAXINKSA-N 2 0 281.488 2.569 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000192932701 227395810 /nfs/dbraw/zinc/39/58/10/227395810.db2.gz ZJSOXSMPVHLCMA-DLBZAZTESA-N 2 0 290.476 2.994 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423533011 287497982 /nfs/dbraw/zinc/49/79/82/287497982.db2.gz WIUJABWBMRCDIM-NNKSGKNISA-N 2 0 262.441 2.918 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccnn1C ZINC000192619522 228187059 /nfs/dbraw/zinc/18/70/59/228187059.db2.gz XKFZQKVSCUEGKZ-OAHLLOKOSA-N 2 0 298.434 2.867 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000400971098 420503345 /nfs/dbraw/zinc/50/33/45/420503345.db2.gz JMFYDIDWQCIHQE-GZBFAFLISA-N 2 0 264.800 2.818 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400968403 420502306 /nfs/dbraw/zinc/50/23/06/420502306.db2.gz OBFZUKBSFCOPNF-RWMBFGLXSA-N 2 0 250.411 2.534 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000400971635 420502698 /nfs/dbraw/zinc/50/26/98/420502698.db2.gz PKHUUGMXSJDWMS-YQQAZPJKSA-N 2 0 272.436 2.942 20 0 CFADRP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000390581856 262222908 /nfs/dbraw/zinc/22/29/08/262222908.db2.gz JEPZWDVKQGJKGH-SOLBZPMBSA-N 2 0 289.467 2.627 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000390646752 262233829 /nfs/dbraw/zinc/23/38/29/262233829.db2.gz IQMUXSLUBXKQIH-FVCCEPFGSA-N 2 0 260.372 2.740 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000390671934 262237682 /nfs/dbraw/zinc/23/76/82/262237682.db2.gz NZFPYMJUGYMOBT-ZOBORPQBSA-N 2 0 272.383 2.932 20 0 CFADRP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000393835133 262237808 /nfs/dbraw/zinc/23/78/08/262237808.db2.gz MXNXHENBXVBFHA-SYQHCUMBSA-N 2 0 268.470 2.781 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000390671932 262237834 /nfs/dbraw/zinc/23/78/34/262237834.db2.gz NZFPYMJUGYMOBT-YIYPIFLZSA-N 2 0 272.383 2.932 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000423132810 274237599 /nfs/dbraw/zinc/23/75/99/274237599.db2.gz UYNXSUNXTLMPST-UKRRQHHQSA-N 2 0 264.388 2.817 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000224539047 270255684 /nfs/dbraw/zinc/25/56/84/270255684.db2.gz GWYYIRUAOBXGGQ-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000094009808 265208824 /nfs/dbraw/zinc/20/88/24/265208824.db2.gz SKADFCFHPHHACD-CYBMUJFWSA-N 2 0 262.397 2.654 20 0 CFADRP CN(CCC[NH+](C)C)Cc1cccc(Cl)c1F ZINC000519230919 265373005 /nfs/dbraw/zinc/37/30/05/265373005.db2.gz VVXNWHBCLISBON-UHFFFAOYSA-N 2 0 258.768 2.863 20 0 CFADRP C[NH+](C)CCCC1CC[NH+](Cc2ccncc2)CC1 ZINC000123493501 268055675 /nfs/dbraw/zinc/05/56/75/268055675.db2.gz NUJABLJIPKZZNN-UHFFFAOYSA-N 2 0 261.413 2.635 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+](C)C1CCCCC1 ZINC000037901181 270226365 /nfs/dbraw/zinc/22/63/65/270226365.db2.gz NHDULCKDIDBMOI-RYRKJORJSA-N 2 0 295.515 2.959 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C2 ZINC000192437435 270231925 /nfs/dbraw/zinc/23/19/25/270231925.db2.gz PMTRWTQILHCDSB-HNNXBMFYSA-N 2 0 290.451 2.730 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257741545 270274023 /nfs/dbraw/zinc/27/40/23/270274023.db2.gz YWADZDFQCFEMIW-KRWDZBQOSA-N 2 0 258.409 2.613 20 0 CFADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000314888667 270291943 /nfs/dbraw/zinc/29/19/43/270291943.db2.gz BXCGJXLUIAXDEW-IGKNDFSCSA-N 2 0 294.483 2.686 20 0 CFADRP Cc1[nH+]ccc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1Cl ZINC000328456879 270299519 /nfs/dbraw/zinc/29/95/19/270299519.db2.gz FQAJFKPJJROECK-UONOGXRCSA-N 2 0 287.794 2.975 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000360967245 270304676 /nfs/dbraw/zinc/30/46/76/270304676.db2.gz WFVOPJIWBKREOE-IXDOHACOSA-N 2 0 282.472 2.902 20 0 CFADRP CCc1cnc(C[NH2+]C(C)(C)CCC[NH+](C)C)s1 ZINC000394919459 270310275 /nfs/dbraw/zinc/31/02/75/270310275.db2.gz SIMHFKQKXMCKLD-UHFFFAOYSA-N 2 0 269.458 2.916 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000397253652 270316380 /nfs/dbraw/zinc/31/63/80/270316380.db2.gz DQJUNLACYJSGDI-DYEKYZERSA-N 2 0 250.361 2.631 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397574761 270318397 /nfs/dbraw/zinc/31/83/97/270318397.db2.gz FWQAOJXIYNPBAY-CFVMTHIKSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423012141 270332685 /nfs/dbraw/zinc/33/26/85/270332685.db2.gz KAEZENGSUGCAJX-IXDOHACOSA-N 2 0 273.424 2.790 20 0 CFADRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424376893 270333291 /nfs/dbraw/zinc/33/32/91/270333291.db2.gz QKALTDDKPVMOLO-KBUPBQIOSA-N 2 0 268.445 2.830 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000424377844 270333309 /nfs/dbraw/zinc/33/33/09/270333309.db2.gz RYKYUOXWJVIWEG-DISOXQEGSA-N 2 0 262.372 2.731 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000514673378 270348414 /nfs/dbraw/zinc/34/84/14/270348414.db2.gz JGDVGEKZRJCCLD-HZPDHXFCSA-N 3 0 291.483 2.860 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000514930747 270358302 /nfs/dbraw/zinc/35/83/02/270358302.db2.gz PNXPYBPXYKQPLA-DOMZBBRYSA-N 2 0 289.423 2.739 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000515002272 270360180 /nfs/dbraw/zinc/36/01/80/270360180.db2.gz KAMBJFIMGCWEPL-HIFRSBDPSA-N 2 0 284.407 2.684 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCCC[NH+](C)C ZINC000516129936 270377521 /nfs/dbraw/zinc/37/75/21/270377521.db2.gz OYDIVCIIHBHAQL-UHFFFAOYSA-N 2 0 291.439 2.727 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)c2ccccc21 ZINC000516273606 270379454 /nfs/dbraw/zinc/37/94/54/270379454.db2.gz FTKZRTOBHGXOHU-IAGOWNOFSA-N 2 0 292.386 2.840 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)cc1F ZINC000516562156 270383839 /nfs/dbraw/zinc/38/38/39/270383839.db2.gz YSPNSLAGEOCGHY-LSDHHAIUSA-N 2 0 268.351 2.757 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000516843163 270388467 /nfs/dbraw/zinc/38/84/67/270388467.db2.gz LMAFMYZQSFMNFJ-CVEARBPZSA-N 2 0 282.472 2.854 20 0 CFADRP CC(C)CC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000516862089 270389205 /nfs/dbraw/zinc/38/92/05/270389205.db2.gz HULCAHPUBPXYOL-OAHLLOKOSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNCc2cc(-c3ccccc3)n[nH]2)C1 ZINC000516894701 270390391 /nfs/dbraw/zinc/39/03/91/270390391.db2.gz PLYTUTLJPCUFAC-HNNXBMFYSA-N 2 0 298.434 2.897 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)C1 ZINC000516938038 270392394 /nfs/dbraw/zinc/39/23/94/270392394.db2.gz RVMARFYPYWURHG-ILXRZTDVSA-N 2 0 293.842 2.778 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527722879 270521184 /nfs/dbraw/zinc/52/11/84/270521184.db2.gz XSPWMIJJGNDEAS-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](C)CC1 ZINC000302030952 273766389 /nfs/dbraw/zinc/76/63/89/273766389.db2.gz JZAYUNDNLFTXHJ-UHFFFAOYSA-N 2 0 269.392 2.857 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000334245243 273792237 /nfs/dbraw/zinc/79/22/37/273792237.db2.gz RSBXECQRWQJEKU-AQFXKWCLSA-N 2 0 288.435 2.843 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414831365 273966256 /nfs/dbraw/zinc/96/62/56/273966256.db2.gz DAOJBZIAVGAIKJ-NSHDSACASA-N 2 0 292.814 2.675 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422890097 274095424 /nfs/dbraw/zinc/09/54/24/274095424.db2.gz RDVGPEQNTBLPJB-RISCZKNCSA-N 2 0 282.815 2.956 20 0 CFADRP COc1cc(OC)c([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1Cl ZINC000423228671 274098137 /nfs/dbraw/zinc/09/81/37/274098137.db2.gz DOOWDJVEGORQLB-UWVGGRQHSA-N 2 0 286.803 2.745 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335169755 274101531 /nfs/dbraw/zinc/10/15/31/274101531.db2.gz NJTRPQLFNQYZID-SWLSCSKDSA-N 2 0 278.371 2.553 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCS2 ZINC000423390185 274137696 /nfs/dbraw/zinc/13/76/96/274137696.db2.gz JVARSFXHVHBUIF-NILFDRSVSA-N 2 0 292.448 2.820 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779830 274157328 /nfs/dbraw/zinc/15/73/28/274157328.db2.gz KPFCWQBMOUFQHK-LSDHHAIUSA-N 2 0 274.408 2.517 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784130 274165803 /nfs/dbraw/zinc/16/58/03/274165803.db2.gz QVDDWYPEFFLBLK-QWHCGFSZSA-N 2 0 280.437 2.578 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000422814945 274208606 /nfs/dbraw/zinc/20/86/06/274208606.db2.gz WNRKHLXLICKDRU-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000423309782 274214522 /nfs/dbraw/zinc/21/45/22/274214522.db2.gz QRGLOCIGJJRNGW-ZANVPECISA-N 2 0 283.213 2.621 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000128930954 274339699 /nfs/dbraw/zinc/33/96/99/274339699.db2.gz JEVDGDADYMYKBB-HLLBOEOZSA-N 2 0 298.434 2.691 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1C[C@@H](CO)c2ccccc21 ZINC000372735006 274339754 /nfs/dbraw/zinc/33/97/54/274339754.db2.gz DLUHQJTVWVDYRS-WTEFKJMHSA-N 2 0 288.435 2.526 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CC[NH2+]1 ZINC000423374424 274393631 /nfs/dbraw/zinc/39/36/31/274393631.db2.gz JYMINEMYESCYKN-DIOULYMOSA-N 2 0 262.372 2.933 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCc1ccc(Cl)cc1 ZINC000442763503 274399987 /nfs/dbraw/zinc/39/99/87/274399987.db2.gz GSXVSMWFJOUOGC-TZMCWYRMSA-N 2 0 266.816 2.942 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCC[NH2+]C1CC1 ZINC000423516120 274412023 /nfs/dbraw/zinc/41/20/23/274412023.db2.gz ATMNLAFICPSNAZ-BDJLRTHQSA-N 2 0 262.372 2.791 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCC[NH2+]C1 ZINC000423334392 274650973 /nfs/dbraw/zinc/65/09/73/274650973.db2.gz IIMIPRAGNRMEIX-RDJZCZTQSA-N 2 0 274.408 2.749 20 0 CFADRP Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2ccccc2[nH+]1 ZINC000266283393 274709506 /nfs/dbraw/zinc/70/95/06/274709506.db2.gz USAYOOAINGSFMF-OAHLLOKOSA-N 2 0 279.387 2.994 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422829346 274948274 /nfs/dbraw/zinc/94/82/74/274948274.db2.gz HHTJQAGWNBXXRA-XYJFISCASA-N 2 0 287.451 2.620 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000423499703 274949987 /nfs/dbraw/zinc/94/99/87/274949987.db2.gz IEHLWJOAHQGGCF-DIOULYMOSA-N 2 0 262.372 2.920 20 0 CFADRP C1=CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccccc43)C2)C1 ZINC000266213849 275411395 /nfs/dbraw/zinc/41/13/95/275411395.db2.gz GUEAPOOQSONBCE-AWEZNQCLSA-N 2 0 265.360 2.685 20 0 CFADRP CC(C)(C)CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000188114864 275510836 /nfs/dbraw/zinc/51/08/36/275510836.db2.gz ZFHVZLYFRXTDRK-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422818970 275570901 /nfs/dbraw/zinc/57/09/01/275570901.db2.gz LVRVVIQQCMWKTP-MSOLQXFVSA-N 2 0 287.451 2.841 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000423048732 275592344 /nfs/dbraw/zinc/59/23/44/275592344.db2.gz INEHRMWPMABDBX-FJBKBRRZSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CS1 ZINC000488522659 275714548 /nfs/dbraw/zinc/71/45/48/275714548.db2.gz LGPWYXCCSRRNQJ-UONOGXRCSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000453590191 276001548 /nfs/dbraw/zinc/00/15/48/276001548.db2.gz AYFDUQAHPRTXNP-ZFWWWQNUSA-N 2 0 270.486 2.981 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000423320558 276110587 /nfs/dbraw/zinc/11/05/87/276110587.db2.gz FOEPVUCZRLILAC-UHFFFAOYSA-N 2 0 289.423 2.596 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261570193 276144666 /nfs/dbraw/zinc/14/46/66/276144666.db2.gz KENHYEDEGQDIPR-LXTVHRRPSA-N 2 0 250.430 2.933 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422911843 276158045 /nfs/dbraw/zinc/15/80/45/276158045.db2.gz UNNKUWHFIQOQJV-COXVUDFISA-N 2 0 273.424 2.595 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000121814416 276176016 /nfs/dbraw/zinc/17/60/16/276176016.db2.gz GSFSKVKESRRTLB-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H]2C)CC1 ZINC000353106111 276203668 /nfs/dbraw/zinc/20/36/68/276203668.db2.gz CWNAGZBUHFGPMC-WBVHZDCISA-N 2 0 287.451 2.717 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC(C)(C)C)C[C@H]1C ZINC000336704018 276213831 /nfs/dbraw/zinc/21/38/31/276213831.db2.gz HFPXPGJCFSKQHN-ZIAGYGMSSA-N 2 0 256.434 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)C2CCCCC2)C[C@@H]1C ZINC000352858614 276224851 /nfs/dbraw/zinc/22/48/51/276224851.db2.gz NYRPTBMTSLYVFD-BHYGNILZSA-N 2 0 282.472 2.732 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000359969529 276229219 /nfs/dbraw/zinc/22/92/19/276229219.db2.gz IAFSANXFAISQIV-DCAQKATOSA-N 2 0 252.324 2.505 20 0 CFADRP CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccccn1 ZINC000423401048 276286874 /nfs/dbraw/zinc/28/68/74/276286874.db2.gz GAZNSEQRYFQEFO-HNNXBMFYSA-N 2 0 291.439 2.529 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459784755 276324567 /nfs/dbraw/zinc/32/45/67/276324567.db2.gz AQPKCNHPLPGODY-DLBZAZTESA-N 2 0 282.472 2.591 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000311955565 276334643 /nfs/dbraw/zinc/33/46/43/276334643.db2.gz KLCAVOPHXRLLHZ-AWEZNQCLSA-N 2 0 264.413 2.830 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000269071574 276335549 /nfs/dbraw/zinc/33/55/49/276335549.db2.gz MVURXURXKAIAFS-GUYCJALGSA-N 2 0 294.414 2.759 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000365807540 276344571 /nfs/dbraw/zinc/34/45/71/276344571.db2.gz VIYATIZFYQMUJJ-IAGOWNOFSA-N 2 0 292.467 2.798 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1(CC)CC ZINC000423510728 276355160 /nfs/dbraw/zinc/35/51/60/276355160.db2.gz PRSPZSXUQGRJJN-ZQDZILKHSA-N 2 0 268.445 2.687 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421331443 276386971 /nfs/dbraw/zinc/38/69/71/276386971.db2.gz JSPDZOCIUDPTPX-MRXNPFEDSA-N 2 0 293.499 2.715 20 0 CFADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422828868 276397406 /nfs/dbraw/zinc/39/74/06/276397406.db2.gz BOAZJPPNVUBHFJ-AAVRWANBSA-N 2 0 256.459 2.781 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000359189491 276399292 /nfs/dbraw/zinc/39/92/92/276399292.db2.gz LRIZNZIKPFLFCQ-LSDHHAIUSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000178039552 289951784 /nfs/dbraw/zinc/95/17/84/289951784.db2.gz BABUKHCZEIMTDY-KKUMJFAQSA-N 2 0 270.461 2.900 20 0 CFADRP C(CC[NH2+]C[C@@H]1CCSC1)CC[NH+]1CCCC1 ZINC000339497607 276803608 /nfs/dbraw/zinc/80/36/08/276803608.db2.gz IDKHUSYXJFVEGS-AWEZNQCLSA-N 2 0 256.459 2.595 20 0 CFADRP C(CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093488439 276811074 /nfs/dbraw/zinc/81/10/74/276811074.db2.gz UJRRIKWOAPXYJF-FGTMMUONSA-N 2 0 293.499 2.763 20 0 CFADRP C[NH+]1CCC(CC[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000159074632 277026156 /nfs/dbraw/zinc/02/61/56/277026156.db2.gz OBAUBSDXAHQCTA-MRXNPFEDSA-N 2 0 288.435 2.874 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000423278804 277026167 /nfs/dbraw/zinc/02/61/67/277026167.db2.gz ROUJJEMKBZDYDX-CJNGLKHVSA-N 2 0 266.404 2.838 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356831880 277051485 /nfs/dbraw/zinc/05/14/85/277051485.db2.gz BGBJEEMPKAUKDX-MSOLQXFVSA-N 2 0 293.499 2.572 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453096006 277051553 /nfs/dbraw/zinc/05/15/53/277051553.db2.gz HWIPKHWPOMUAHR-SFHVURJKSA-N 2 0 293.499 2.572 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000376018935 277151480 /nfs/dbraw/zinc/15/14/80/277151480.db2.gz MDQPVWFQGFWXBY-UHFFFAOYSA-N 2 0 293.499 2.856 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000367097859 277152325 /nfs/dbraw/zinc/15/23/25/277152325.db2.gz CPDZMHDOPXYJSV-HNNXBMFYSA-N 2 0 280.456 2.798 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)[C@@H]2CCC[C@H]21 ZINC000367600530 277171219 /nfs/dbraw/zinc/17/12/19/277171219.db2.gz KKUDQPLKGAKXHE-YESZJQIVSA-N 2 0 276.399 2.831 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2F)[C@H]2CCC[C@@H]21 ZINC000513707353 277171296 /nfs/dbraw/zinc/17/12/96/277171296.db2.gz BQLRSTOOWZBIJF-KBMXLJTQSA-N 2 0 294.389 2.970 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@@H]2CCC[C@@H]21 ZINC000353403286 277172063 /nfs/dbraw/zinc/17/20/63/277172063.db2.gz KGIWMLSECXSNHV-AJNGGQMLSA-N 2 0 268.470 2.735 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000336786323 277177784 /nfs/dbraw/zinc/17/77/84/277177784.db2.gz HOWQYGHJGRKTFE-LBPRGKRZSA-N 2 0 256.434 2.652 20 0 CFADRP COCC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000376740354 277199223 /nfs/dbraw/zinc/19/92/23/277199223.db2.gz TWOYRSOFLWFKHJ-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP COCCC1(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000422892667 277203290 /nfs/dbraw/zinc/20/32/90/277203290.db2.gz ZDLITNKOLXRTPJ-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)(C)[C@H]([NH2+]CCOCC[NH3+])c1ccc(F)cc1F ZINC000420396492 277252927 /nfs/dbraw/zinc/25/29/27/277252927.db2.gz FJKXAJPPJMDVCL-CQSZACIVSA-N 2 0 286.366 2.617 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cccs1)C1CC1 ZINC000422799054 277259897 /nfs/dbraw/zinc/25/98/97/277259897.db2.gz UVYKHVCNIGTMHO-JSGCOSHPSA-N 2 0 268.426 2.543 20 0 CFADRP C[NH2+]CCC1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000261978528 277266202 /nfs/dbraw/zinc/26/62/02/277266202.db2.gz HACOXYNVRYSXJN-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423281906 277274878 /nfs/dbraw/zinc/27/48/78/277274878.db2.gz VWVMCCBRJKMSBI-MLGOLLRUSA-N 2 0 276.424 2.863 20 0 CFADRP CO[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(C)C ZINC000418092313 277280702 /nfs/dbraw/zinc/28/07/02/277280702.db2.gz HRUWPLHOVMAFGB-QGZVFWFLSA-N 2 0 291.439 2.701 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000359950978 277325515 /nfs/dbraw/zinc/32/55/15/277325515.db2.gz WUXLZXMTXKVVKT-QKPAOTATSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000337125799 277432619 /nfs/dbraw/zinc/43/26/19/277432619.db2.gz FMMBUKZJIJWFHE-MRXNPFEDSA-N 2 0 282.472 2.713 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(CF)CCOCC1 ZINC000423156318 277592250 /nfs/dbraw/zinc/59/22/50/277592250.db2.gz SASIULFJCDUBKS-GJZGRUSLSA-N 2 0 286.435 2.653 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)C1(C)C ZINC000185219627 277692190 /nfs/dbraw/zinc/69/21/90/277692190.db2.gz KLVGGTIXUKGTNL-HZPDHXFCSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000415065514 277707182 /nfs/dbraw/zinc/70/71/82/277707182.db2.gz GKNUOROFRUNWRU-KBAYOESNSA-N 2 0 293.499 2.761 20 0 CFADRP C1=C(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000422961137 277757044 /nfs/dbraw/zinc/75/70/44/277757044.db2.gz ARXVLYOFNBEFRX-BRWVUGGUSA-N 2 0 278.440 2.624 20 0 CFADRP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000415003250 277758085 /nfs/dbraw/zinc/75/80/85/277758085.db2.gz FPDURYGBFGXEGR-LUKYLMHMSA-N 2 0 262.441 2.933 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CS1 ZINC000421366196 277963514 /nfs/dbraw/zinc/96/35/14/277963514.db2.gz BXSHNMBOKQNIKH-HXSCFSKGSA-N 2 0 270.486 2.979 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000120978121 278026559 /nfs/dbraw/zinc/02/65/59/278026559.db2.gz NUGSIRMHFPFHGG-XLNGHYISSA-N 2 0 258.409 2.862 20 0 CFADRP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375782647 278048572 /nfs/dbraw/zinc/04/85/72/278048572.db2.gz MPIIEGZXLSREFM-GVDBMIGSSA-N 2 0 288.435 2.700 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423253677 278049923 /nfs/dbraw/zinc/04/99/23/278049923.db2.gz ZHUIQNZOPZUYKK-KBRIMQKVSA-N 2 0 275.440 2.540 20 0 CFADRP C[C@@H]1[C@@H](NC2CC[NH+](C3CCCCC3)CC2)CCC[N@@H+]1C ZINC000346324122 278085023 /nfs/dbraw/zinc/08/50/23/278085023.db2.gz GNIKZRFSYJICJM-QAPCUYQASA-N 2 0 293.499 2.856 20 0 CFADRP CSC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000377202708 278125278 /nfs/dbraw/zinc/12/52/78/278125278.db2.gz XGKZTGJDFCAGBJ-UHFFFAOYSA-N 2 0 268.470 2.879 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000357725043 278161655 /nfs/dbraw/zinc/16/16/55/278161655.db2.gz BNPUWKOHIZMSQA-RWMBFGLXSA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352526455 278166704 /nfs/dbraw/zinc/16/67/04/278166704.db2.gz NTMACXZBIMCIAC-GDBMZVCRSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CSC[C@H]1C)[NH+]1CCCCC1 ZINC000449238003 278173978 /nfs/dbraw/zinc/17/39/78/278173978.db2.gz DZCKHYIISHAIJB-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C[NH+]1CCCC1 ZINC000337377254 278209363 /nfs/dbraw/zinc/20/93/63/278209363.db2.gz HEPDIUILNOALHZ-FPCVCCKLSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc21 ZINC000339072204 278209744 /nfs/dbraw/zinc/20/97/44/278209744.db2.gz UIPXUACHGGNGFQ-KBAYOESNSA-N 2 0 299.462 2.654 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)C[NH+]1CCCC1 ZINC000338000195 278209780 /nfs/dbraw/zinc/20/97/80/278209780.db2.gz UVINZVLCCZWCSS-FVQBIDKESA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](C2CCC2)CC1 ZINC000422974427 278216183 /nfs/dbraw/zinc/21/61/83/278216183.db2.gz QXSJTSNPFXLNCA-WBVHZDCISA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422808796 278217925 /nfs/dbraw/zinc/21/79/25/278217925.db2.gz QWKVOLXWIAQZNH-ZMSDIMECSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865059 278218279 /nfs/dbraw/zinc/21/82/79/278218279.db2.gz WZOBNCOKVATYCA-ZACQAIPSSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000348288822 278239783 /nfs/dbraw/zinc/23/97/83/278239783.db2.gz KJBPJDYZEHJSQH-VYDXJSESSA-N 2 0 281.488 2.569 20 0 CFADRP CC1(C)CCC[C@](O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000437103392 278248957 /nfs/dbraw/zinc/24/89/57/278248957.db2.gz JPEPYAFDAXYTDE-YQQAZPJKSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422874402 278257487 /nfs/dbraw/zinc/25/74/87/278257487.db2.gz CSUAEKMAQBPHIP-IRXDYDNUSA-N 3 0 281.488 2.619 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1C(F)(F)F ZINC000422919004 278268157 /nfs/dbraw/zinc/26/81/57/278268157.db2.gz JJPIKXGZZILLGL-UWVGGRQHSA-N 2 0 272.314 2.964 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000334313450 278276337 /nfs/dbraw/zinc/27/63/37/278276337.db2.gz WQFHOTXXPJAYGR-HZPDHXFCSA-N 2 0 280.456 2.894 20 0 CFADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1C[NH2+]C1 ZINC000423300774 278296903 /nfs/dbraw/zinc/29/69/03/278296903.db2.gz FNMCUQKUXXDEFA-VIFPVBQESA-N 2 0 273.207 2.733 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415110476 278314689 /nfs/dbraw/zinc/31/46/89/278314689.db2.gz PDDCMCQLMXGYOB-GJZGRUSLSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000423289120 278318955 /nfs/dbraw/zinc/31/89/55/278318955.db2.gz AIUPVYHLPDQLNF-BASLNEPJSA-N 2 0 286.419 2.754 20 0 CFADRP C[C@@H]([NH2+]C1CCc2ccccc2CC1)[C@H]1CCC[NH2+]C1 ZINC000335177721 278336918 /nfs/dbraw/zinc/33/69/18/278336918.db2.gz LMIONHNNCPTSOI-PBHICJAKSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422884062 278341435 /nfs/dbraw/zinc/34/14/35/278341435.db2.gz ROEPIDWMKALBFZ-GTPINHCMSA-N 3 0 281.488 2.606 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000449508448 278341548 /nfs/dbraw/zinc/34/15/48/278341548.db2.gz NFMAPPRSMCVNKK-IAGOWNOFSA-N 2 0 294.483 2.636 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000376834508 278342091 /nfs/dbraw/zinc/34/20/91/278342091.db2.gz YGZBOFPTHRQCPG-XHSDSOJGSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1nc2ccccc2n1C ZINC000423467159 278346247 /nfs/dbraw/zinc/34/62/47/278346247.db2.gz BFXVSQBDKCJWNS-KGLIPLIRSA-N 2 0 286.423 2.756 20 0 CFADRP C[C@H]1CCC[C@](CNC2CC[NH+](C3CC3)CC2)([NH+](C)C)C1 ZINC000314141135 278355020 /nfs/dbraw/zinc/35/50/20/278355020.db2.gz LLKOZDKBSAZMMO-YJBOKZPZSA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000124726959 288037410 /nfs/dbraw/zinc/03/74/10/288037410.db2.gz ACEUSAWEXYBAIL-KRWDZBQOSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)(C)[NH2+]CCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000414739061 278369901 /nfs/dbraw/zinc/36/99/01/278369901.db2.gz PKBKDGIYLMRODY-OAHLLOKOSA-N 2 0 295.858 2.674 20 0 CFADRP C[C@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000131243553 278378618 /nfs/dbraw/zinc/37/86/18/278378618.db2.gz PKGBSQBJZFLSRO-DZGCQCFKSA-N 2 0 259.397 2.829 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449059602 278540324 /nfs/dbraw/zinc/54/03/24/278540324.db2.gz BYFNAKGNZQKGRH-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000422764224 278562433 /nfs/dbraw/zinc/56/24/33/278562433.db2.gz UZKCEBPUYYWBHN-COXVUDFISA-N 2 0 258.409 2.522 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423047369 278607107 /nfs/dbraw/zinc/60/71/07/278607107.db2.gz VBNOALJNEFOLDP-OJLVUWQFSA-N 2 0 268.445 2.700 20 0 CFADRP CC(C)(CO)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422963229 278624474 /nfs/dbraw/zinc/62/44/74/278624474.db2.gz FIDPOSBBMMKBCC-ZACQAIPSSA-N 2 0 290.451 2.506 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000361009850 278660705 /nfs/dbraw/zinc/66/07/05/278660705.db2.gz VRTDUYHBHZXWQK-MRXNPFEDSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000349358182 278661689 /nfs/dbraw/zinc/66/16/89/278661689.db2.gz VNLJLAONYPBGEP-SJORKVTESA-N 2 0 281.488 2.737 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CCOC1(C)C ZINC000340229555 278782049 /nfs/dbraw/zinc/78/20/49/278782049.db2.gz YLWJTBCQFWPVAF-AWEZNQCLSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H](O)C(C)C ZINC000423195714 288073721 /nfs/dbraw/zinc/07/37/21/288073721.db2.gz YCWANKMEQVYBQL-QKPAOTATSA-N 2 0 262.397 2.516 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335502749 279013581 /nfs/dbraw/zinc/01/35/81/279013581.db2.gz YIUMGAIILXYKPA-ZXWVPCPPSA-N 2 0 262.372 2.919 20 0 CFADRP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422755546 279019694 /nfs/dbraw/zinc/01/96/94/279019694.db2.gz FTPRDTRDIMIYEK-HYVNUMGLSA-N 2 0 287.451 2.687 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000354432455 279026980 /nfs/dbraw/zinc/02/69/80/279026980.db2.gz YPDULVCQFJBYRJ-HOTGVXAUSA-N 2 0 282.472 2.638 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C1CCC(C)CC1 ZINC000349666245 279109074 /nfs/dbraw/zinc/10/90/74/279109074.db2.gz NZEDJCVXDFDDFG-UHFFFAOYSA-N 2 0 256.434 2.513 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358300387 288106456 /nfs/dbraw/zinc/10/64/56/288106456.db2.gz PBDXTBYQSULTDH-GMTAPVOTSA-N 2 0 284.391 2.600 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000248586402 279135514 /nfs/dbraw/zinc/13/55/14/279135514.db2.gz VWQRQSGNUBXASX-HUUCEWRRSA-N 2 0 268.445 2.608 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000233453436 279137513 /nfs/dbraw/zinc/13/75/13/279137513.db2.gz BPSMAZFNCZCVRZ-UHFFFAOYSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC[NH2+]C1CCCCCC1 ZINC000423283421 288101986 /nfs/dbraw/zinc/10/19/86/288101986.db2.gz WBRMNTVWGUVSPS-VYDXJSESSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)C[C@H]([NH3+])CNC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414827993 279180599 /nfs/dbraw/zinc/18/05/99/279180599.db2.gz IDUDASQVBUAIDZ-DLBZAZTESA-N 2 0 277.456 2.773 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775098 279252354 /nfs/dbraw/zinc/25/23/54/279252354.db2.gz GDVCODALNUKGGF-NJAFHUGGSA-N 2 0 294.483 2.761 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423070197 279254736 /nfs/dbraw/zinc/25/47/36/279254736.db2.gz FSMCUZHWYBNJCZ-DJIMGWMZSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423353653 279254788 /nfs/dbraw/zinc/25/47/88/279254788.db2.gz BVRDECXTRJWWHW-MLGOLLRUSA-N 2 0 261.413 2.753 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423433187 279254873 /nfs/dbraw/zinc/25/48/73/279254873.db2.gz NABCHDXFMLWWIK-FXUDXRNXSA-N 2 0 268.445 2.689 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446827835 279257002 /nfs/dbraw/zinc/25/70/02/279257002.db2.gz QLSWZXBEXANJDS-QGZVFWFLSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CSC[C@H]1C)[NH+]1CCCCC1 ZINC000449238004 279267816 /nfs/dbraw/zinc/26/78/16/279267816.db2.gz DZCKHYIISHAIJB-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422911845 279275109 /nfs/dbraw/zinc/27/51/09/279275109.db2.gz UNNKUWHFIQOQJV-XOKHGSTOSA-N 2 0 273.424 2.595 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423297001 279289462 /nfs/dbraw/zinc/28/94/62/279289462.db2.gz IIAFTKPIUHTLCE-ZETOZRRWSA-N 2 0 250.361 2.634 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414884869 279289670 /nfs/dbraw/zinc/28/96/70/279289670.db2.gz WMAIDARTMFJGDE-CYBMUJFWSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423298089 279289726 /nfs/dbraw/zinc/28/97/26/279289726.db2.gz NCPMEYXAMCCYIP-WCABBAIRSA-N 2 0 256.440 2.858 20 0 CFADRP C[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C[NH+]1CCCC1 ZINC000442708885 279355098 /nfs/dbraw/zinc/35/50/98/279355098.db2.gz LZWGMQPHRIIGSN-HUUCEWRRSA-N 2 0 297.446 2.957 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414930851 279378758 /nfs/dbraw/zinc/37/87/58/279378758.db2.gz BDPFUSZHDWRFNE-YWPYICTPSA-N 2 0 266.816 2.859 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000483253204 279397652 /nfs/dbraw/zinc/39/76/52/279397652.db2.gz BORPEBJRWSEPBZ-JKSUJKDBSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCCOC1 ZINC000334891768 279451485 /nfs/dbraw/zinc/45/14/85/279451485.db2.gz OOVKZRBRKWPPMX-STQMWFEESA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1nc2ccccc2n1C ZINC000423479853 279484384 /nfs/dbraw/zinc/48/43/84/279484384.db2.gz VHUYLGPCVNHMPO-MELADBBJSA-N 2 0 286.423 2.741 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000414865790 279520956 /nfs/dbraw/zinc/52/09/56/279520956.db2.gz ZURIYCHCCUSYMR-IAOVAPTHSA-N 2 0 258.409 2.522 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000335236431 279677867 /nfs/dbraw/zinc/67/78/67/279677867.db2.gz HHORAVIPOZWJIB-IAGOWNOFSA-N 2 0 292.398 2.544 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000423463361 279698946 /nfs/dbraw/zinc/69/89/46/279698946.db2.gz FTLACEFMLCQNFY-ZQDZILKHSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@@H]1C[N@H+](CCC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000376863195 288155788 /nfs/dbraw/zinc/15/57/88/288155788.db2.gz AMWVQGJGJNGCRG-OAHLLOKOSA-N 2 0 281.488 2.523 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2ccccc21 ZINC000423188942 279760397 /nfs/dbraw/zinc/76/03/97/279760397.db2.gz ZWIQULKKKSZFGO-YJBOKZPZSA-N 2 0 287.451 2.510 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)C12CCCC2 ZINC000085680673 279818966 /nfs/dbraw/zinc/81/89/66/279818966.db2.gz NQKCSYVRZUDDKY-RRFJBIMHSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[C@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)CC[NH2+]1 ZINC000335249405 279993028 /nfs/dbraw/zinc/99/30/28/279993028.db2.gz PRFVVZSKVITRJP-LSDHHAIUSA-N 2 0 288.435 2.960 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414706525 280042914 /nfs/dbraw/zinc/04/29/14/280042914.db2.gz YBUQWWYHYULVEJ-QLFBSQMISA-N 2 0 270.486 2.982 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414706527 280042935 /nfs/dbraw/zinc/04/29/35/280042935.db2.gz YBUQWWYHYULVEJ-RRFJBIMHSA-N 2 0 270.486 2.982 20 0 CFADRP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414702626 280053159 /nfs/dbraw/zinc/05/31/59/280053159.db2.gz IXCGTGGENIPQQY-ZQDZILKHSA-N 2 0 270.486 2.981 20 0 CFADRP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000178038538 280186607 /nfs/dbraw/zinc/18/66/07/280186607.db2.gz JMYUCGJEPWQCNB-OWCLPIDISA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422774606 280223811 /nfs/dbraw/zinc/22/38/11/280223811.db2.gz XQXUOHRLEQMGFM-QRTARXTBSA-N 2 0 274.408 2.876 20 0 CFADRP CC(C)[C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000422969242 280255237 /nfs/dbraw/zinc/25/52/37/280255237.db2.gz ZHONJELJDXWQCK-XHSDSOJGSA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000336846360 280270933 /nfs/dbraw/zinc/27/09/33/280270933.db2.gz NCGRXQPLFRBQCH-IRXDYDNUSA-N 2 0 292.471 2.762 20 0 CFADRP Cc1cn[nH]c1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000352833542 280283114 /nfs/dbraw/zinc/28/31/14/280283114.db2.gz IXQJHRAEWYBTKV-ZIAGYGMSSA-N 2 0 278.444 2.566 20 0 CFADRP Cc1cn[nH]c1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000352833540 280283305 /nfs/dbraw/zinc/28/33/05/280283305.db2.gz IXQJHRAEWYBTKV-KBPBESRZSA-N 2 0 278.444 2.566 20 0 CFADRP CC[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000348061173 280325679 /nfs/dbraw/zinc/32/56/79/280325679.db2.gz IQQOHKQPUDWAJV-JONQDZQNSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccnc1 ZINC000359299016 280334961 /nfs/dbraw/zinc/33/49/61/280334961.db2.gz ZTDAKBADZJNVRX-ULQDDVLXSA-N 2 0 273.424 2.995 20 0 CFADRP c1ccc(CC[C@@H]2CCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415042904 280479036 /nfs/dbraw/zinc/47/90/36/280479036.db2.gz SZUMOQKKTIXVIL-IECFSIQFSA-N 2 0 270.420 2.595 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000449183870 280560597 /nfs/dbraw/zinc/56/05/97/280560597.db2.gz LPBZMGREHQHVES-NVXWUHKLSA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127822099 280668977 /nfs/dbraw/zinc/66/89/77/280668977.db2.gz CUQDFBNJGINZSO-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422698437 280829944 /nfs/dbraw/zinc/82/99/44/280829944.db2.gz ZHFJUFJMVYYFSD-OKZBNKHCSA-N 2 0 288.435 2.550 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000186605976 280849226 /nfs/dbraw/zinc/84/92/26/280849226.db2.gz RHVFNCKOYYOKGV-IAGOWNOFSA-N 2 0 289.467 2.672 20 0 CFADRP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414942799 280862577 /nfs/dbraw/zinc/86/25/77/280862577.db2.gz MYVAMOBEWZYDTO-USXIJHARSA-N 2 0 260.425 2.904 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)C12CCC2 ZINC000245893026 280964764 /nfs/dbraw/zinc/96/47/64/280964764.db2.gz MOWYINXQBBAODD-XUWVNRHRSA-N 2 0 280.456 2.797 20 0 CFADRP CCOC(=O)CCCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247019070 281003729 /nfs/dbraw/zinc/00/37/29/281003729.db2.gz MANQHZINJVWYKF-JKSUJKDBSA-N 2 0 298.471 2.772 20 0 CFADRP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC3CCCC3)C2)[C@H](C)C1 ZINC000247149497 281006477 /nfs/dbraw/zinc/00/64/77/281006477.db2.gz RJMUBHZAJSDCBJ-NJAFHUGGSA-N 2 0 293.499 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247136217 281006581 /nfs/dbraw/zinc/00/65/81/281006581.db2.gz RXRFNACBUBPASL-YJBOKZPZSA-N 2 0 290.451 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2nc(C)cs2)[C@@H](C)C1 ZINC000248120308 281018281 /nfs/dbraw/zinc/01/82/81/281018281.db2.gz DTDQTZICNFABST-AAEUAGOBSA-N 2 0 267.442 2.614 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)o1 ZINC000248157883 281018472 /nfs/dbraw/zinc/01/84/72/281018472.db2.gz RQNWZNRUMJBZNJ-GJZGRUSLSA-N 2 0 294.439 2.730 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000248484538 281023515 /nfs/dbraw/zinc/02/35/15/281023515.db2.gz DKALVCSVXRWNHX-HBJVGIJOSA-N 2 0 281.469 2.873 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248640908 281029529 /nfs/dbraw/zinc/02/95/29/281029529.db2.gz NTZSUOFCFYQYKP-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000248624567 281029746 /nfs/dbraw/zinc/02/97/46/281029746.db2.gz CJACMFBXCKAIPE-OFQRWUPVSA-N 2 0 264.413 2.692 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000248649629 281030576 /nfs/dbraw/zinc/03/05/76/281030576.db2.gz VUDZZUHGMIPTTH-BRWVUGGUSA-N 2 0 295.515 2.817 20 0 CFADRP COC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249452210 281058520 /nfs/dbraw/zinc/05/85/20/281058520.db2.gz CPQXKBFUSJBNQT-KFWWJZLASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000251532675 281072914 /nfs/dbraw/zinc/07/29/14/281072914.db2.gz MYVQTWNRXLIVIC-QEJZJMRPSA-N 2 0 288.391 2.693 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703043 281077051 /nfs/dbraw/zinc/07/70/51/281077051.db2.gz BQWZHRSMFIGKJQ-IHRRRGAJSA-N 2 0 256.459 2.735 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423496369 281078668 /nfs/dbraw/zinc/07/86/68/281078668.db2.gz WQXFIWAXWQCQKN-DZKIICNBSA-N 2 0 274.408 2.926 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000254971979 281082826 /nfs/dbraw/zinc/08/28/26/281082826.db2.gz HQOFWGNWGMLZID-JEZWAEDTSA-N 2 0 258.409 2.973 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1csc2ccccc12 ZINC000259098602 281111129 /nfs/dbraw/zinc/11/11/29/281111129.db2.gz SAQVERSVIBZBBT-UONOGXRCSA-N 2 0 260.406 2.913 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000268951798 281118161 /nfs/dbraw/zinc/11/81/61/281118161.db2.gz VLJUGZCREFHCCI-WMLDXEAASA-N 2 0 294.414 2.713 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)C2 ZINC000423374095 281124037 /nfs/dbraw/zinc/12/40/37/281124037.db2.gz HROFGZDALRINOK-GKLJAUDBSA-N 2 0 258.409 2.958 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])CCC2 ZINC000423133292 281124077 /nfs/dbraw/zinc/12/40/77/281124077.db2.gz QAZIJBBFBDVXDI-VIBAHUMZSA-N 2 0 288.435 2.714 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000420256305 281170119 /nfs/dbraw/zinc/17/01/19/281170119.db2.gz IZONLCJHJKRMQK-UONOGXRCSA-N 2 0 267.376 2.589 20 0 CFADRP Cc1ccc2[nH+]ccc(N3C[C@@H]4C[NH+](C)C[C@H]4C3)c2c1 ZINC000362663111 281170990 /nfs/dbraw/zinc/17/09/90/281170990.db2.gz JOGZNPNNWHWJHO-KBPBESRZSA-N 2 0 267.376 2.541 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cnc(CC)s2)CC1 ZINC000347211850 281173840 /nfs/dbraw/zinc/17/38/40/281173840.db2.gz PFTMUEKOIHLZAX-UHFFFAOYSA-N 2 0 267.442 2.527 20 0 CFADRP COCC[C@@H]1CCCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000420372588 281220306 /nfs/dbraw/zinc/22/03/06/281220306.db2.gz LMMZHXJUWKEVSA-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP CC[C@H](C[NH2+]C1CC[NH2+]CC1)Oc1cccc(Cl)c1 ZINC000422928198 281222512 /nfs/dbraw/zinc/22/25/12/281222512.db2.gz JLHDEACVUHUQII-CQSZACIVSA-N 2 0 282.815 2.839 20 0 CFADRP C[C@H](Cc1ccccc1Br)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422929827 281222574 /nfs/dbraw/zinc/22/25/74/281222574.db2.gz RQDZTNHOHDYAEJ-MNOVXSKESA-N 2 0 297.240 2.578 20 0 CFADRP CC(=O)N1CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c2ccccc21 ZINC000423009967 281223067 /nfs/dbraw/zinc/22/30/67/281223067.db2.gz FFHFTBXOXHQJCU-CZUORRHYSA-N 2 0 289.423 2.591 20 0 CFADRP CC1(C)CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000423009798 281223104 /nfs/dbraw/zinc/22/31/04/281223104.db2.gz DXVWNOHHPXBEGL-BRWVUGGUSA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000423009722 281223412 /nfs/dbraw/zinc/22/34/12/281223412.db2.gz DNXTUUVHFMKSBG-DZKIICNBSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000424374277 281227420 /nfs/dbraw/zinc/22/74/20/281227420.db2.gz KTBPZEKBERYUCD-KBRIMQKVSA-N 2 0 284.407 2.793 20 0 CFADRP CCSc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000435392555 281235071 /nfs/dbraw/zinc/23/50/71/281235071.db2.gz XDQGNAOIYCHFLZ-IMJJTQAJSA-N 2 0 276.449 2.968 20 0 CFADRP CC(C)[C@@H](C[NH2+]C1CC(C(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000459366397 281257285 /nfs/dbraw/zinc/25/72/85/281257285.db2.gz MYQPFABFNHQURL-OFLPRAFFSA-N 2 0 295.515 2.673 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CCCC[NH3+] ZINC000423069527 281291354 /nfs/dbraw/zinc/29/13/54/281291354.db2.gz LVZMVZYQIADMOV-DZGCQCFKSA-N 2 0 262.397 2.926 20 0 CFADRP COc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000516193550 281300427 /nfs/dbraw/zinc/30/04/27/281300427.db2.gz NFGQWIMPHKODGH-LSDHHAIUSA-N 2 0 276.424 2.832 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000450780751 281309564 /nfs/dbraw/zinc/30/95/64/281309564.db2.gz RIMBVMPDOZTWPD-ZBFHGGJFSA-N 2 0 281.403 2.992 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423220673 281317825 /nfs/dbraw/zinc/31/78/25/281317825.db2.gz YUJHFWUXBZQCEE-XJKSGUPXSA-N 2 0 258.409 2.998 20 0 CFADRP CC1(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000526991735 281323331 /nfs/dbraw/zinc/32/33/31/281323331.db2.gz YYGLUHVKQJREFJ-CALCHBBNSA-N 2 0 270.420 2.850 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527719241 281343804 /nfs/dbraw/zinc/34/38/04/281343804.db2.gz JWFXOSVQKURHAM-VRKREXBASA-N 2 0 250.430 2.743 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344081393 281354695 /nfs/dbraw/zinc/35/46/95/281354695.db2.gz ZXBAFYFEDDDEJC-QGZVFWFLSA-N 2 0 291.483 2.871 20 0 CFADRP Cc1ccccc1[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262034339 281366984 /nfs/dbraw/zinc/36/69/84/281366984.db2.gz OISCUUJAZHOCMM-WBVHZDCISA-N 2 0 258.409 2.784 20 0 CFADRP CC(C)[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000532221779 281445854 /nfs/dbraw/zinc/44/58/54/281445854.db2.gz GLCHJSRELRODBO-AEFFLSMTSA-N 2 0 289.467 2.609 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000532233256 281447019 /nfs/dbraw/zinc/44/70/19/281447019.db2.gz CGWXUYVHGUYIIO-RRFJBIMHSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@H]1C[C@@H](C[N@@H+]2CCCC23CC[NH+](C)CC3)CCO1 ZINC000336413356 288341128 /nfs/dbraw/zinc/34/11/28/288341128.db2.gz RUQLQGGSYPHEFM-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000376122315 288356335 /nfs/dbraw/zinc/35/63/35/288356335.db2.gz HGHYYWRPMDXOKS-HUUCEWRRSA-N 2 0 280.456 2.656 20 0 CFADRP C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)CC[NH+]1CCCC1 ZINC000551264986 281833514 /nfs/dbraw/zinc/83/35/14/281833514.db2.gz PKBWYTMGZHIZTI-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000401113998 281881603 /nfs/dbraw/zinc/88/16/03/281881603.db2.gz HKIVHDWNDHCIHV-SCUASFONSA-N 2 0 279.453 2.799 20 0 CFADRP C[C@@H](C[NH+](C)C)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000558260958 281978840 /nfs/dbraw/zinc/97/88/40/281978840.db2.gz YXLICGUKQLWHDW-ZOBUZTSGSA-N 2 0 281.488 2.569 20 0 CFADRP CC(C)[NH2+]C1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000559932607 282012760 /nfs/dbraw/zinc/01/27/60/282012760.db2.gz PTJXULDVTRHFQX-UHFFFAOYSA-N 2 0 272.436 2.864 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000355331222 282024171 /nfs/dbraw/zinc/02/41/71/282024171.db2.gz YGTJPPPTLOFECW-QLFBSQMISA-N 2 0 297.487 2.532 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)o1 ZINC000560523044 282032473 /nfs/dbraw/zinc/03/24/73/282032473.db2.gz ZSWNYIXYURWSHT-OAGGEKHMSA-N 2 0 262.397 2.593 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000353514472 282049276 /nfs/dbraw/zinc/04/92/76/282049276.db2.gz GZPWOAKYVNDGGA-KDQUWOQTSA-N 2 0 280.456 2.652 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000561278485 282051858 /nfs/dbraw/zinc/05/18/58/282051858.db2.gz FCBIAEAYLADXQX-VSZNYVQBSA-N 2 0 294.483 2.638 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000561278483 282051890 /nfs/dbraw/zinc/05/18/90/282051890.db2.gz FCBIAEAYLADXQX-BDXSIMOUSA-N 2 0 294.483 2.638 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422816159 282067029 /nfs/dbraw/zinc/06/70/29/282067029.db2.gz ZGXBILXPKONNKF-CYBMUJFWSA-N 2 0 293.455 2.688 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367556371 282067217 /nfs/dbraw/zinc/06/72/17/282067217.db2.gz XVCYEXHVUWTHHK-OAGGEKHMSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)CC[NH2+]1 ZINC000415111983 288511369 /nfs/dbraw/zinc/51/13/69/288511369.db2.gz VCPPTVPNCAIHOY-VYDXJSESSA-N 2 0 290.451 2.724 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC[NH2+]C1 ZINC000262086760 289163800 /nfs/dbraw/zinc/16/38/00/289163800.db2.gz ULIXZFWFIBEWKT-RHSMWYFYSA-N 2 0 288.391 2.552 20 0 CFADRP C[C@@]1(CN2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000261896140 289163871 /nfs/dbraw/zinc/16/38/71/289163871.db2.gz VBKFLMJHKMJQTR-GOSISDBHSA-N 2 0 293.499 2.574 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000422837605 289309429 /nfs/dbraw/zinc/30/94/29/289309429.db2.gz MKOIVBOQJDGSML-UWWPHRKUSA-N 2 0 273.424 2.594 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1Cl ZINC000422772018 289365840 /nfs/dbraw/zinc/36/58/40/289365840.db2.gz XVHWLTCHTUOCQI-VBNZEHGJSA-N 2 0 295.858 2.660 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414925271 289727231 /nfs/dbraw/zinc/72/72/31/289727231.db2.gz IIUFNYWRWGDITM-PMPSAXMXSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422839824 289727808 /nfs/dbraw/zinc/72/78/08/289727808.db2.gz RMJQUZBWLSNQMX-TWMKSMIVSA-N 2 0 281.488 2.760 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000263274217 289797192 /nfs/dbraw/zinc/79/71/92/289797192.db2.gz SPEZXEWKUYPJIG-PJODQICGSA-N 2 0 275.396 2.552 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000365060525 289879178 /nfs/dbraw/zinc/87/91/78/289879178.db2.gz GQODDNLLFHEMNH-GVDBMIGSSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000154198455 289887967 /nfs/dbraw/zinc/88/79/67/289887967.db2.gz VUAQMICJELDZNY-GOSISDBHSA-N 2 0 290.451 2.678 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000156154856 289933205 /nfs/dbraw/zinc/93/32/05/289933205.db2.gz BFYXQNHTVANAIR-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP C(=C\c1ccccc1)\C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000311823614 290015403 /nfs/dbraw/zinc/01/54/03/290015403.db2.gz FCZDCSXKEPULRN-CUPFKUIUSA-N 2 0 256.393 2.631 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cnc2ccsc2c1 ZINC000423363333 290020231 /nfs/dbraw/zinc/02/02/31/290020231.db2.gz BUVRJOMTDKTSAX-NTZNESFSSA-N 2 0 275.421 2.945 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403336343 290027009 /nfs/dbraw/zinc/02/70/09/290027009.db2.gz SEMCLQHHGGLOGH-KFWWJZLASA-N 2 0 250.430 2.885 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC(C)(C)c2ccccc21)C1C[NH2+]C1 ZINC000335155453 290041998 /nfs/dbraw/zinc/04/19/98/290041998.db2.gz IAQUVVJXSLFZND-LRDDRELGSA-N 2 0 258.409 2.997 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000089142941 290043421 /nfs/dbraw/zinc/04/34/21/290043421.db2.gz RJQWVIISDBERNW-CFVMTHIKSA-N 2 0 290.407 2.626 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000562499098 290048471 /nfs/dbraw/zinc/04/84/71/290048471.db2.gz XRYXYWMOWHEZKT-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@H](C[N@H+](C)CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000562521840 290050153 /nfs/dbraw/zinc/05/01/53/290050153.db2.gz DDEMBOUYHDANQH-GFCCVEGCSA-N 2 0 270.367 2.952 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000366008286 290071152 /nfs/dbraw/zinc/07/11/52/290071152.db2.gz JTQYMNJRZVOCPA-YQQAZPJKSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@H](NCc1csc(-c2ccco2)n1)[C@@H]1CCC[NH2+]C1 ZINC000562744306 290072729 /nfs/dbraw/zinc/07/27/29/290072729.db2.gz CZXSRFROAQGMAD-NWDGAFQWSA-N 2 0 291.420 2.881 20 0 CFADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000563354419 290136279 /nfs/dbraw/zinc/13/62/79/290136279.db2.gz JIXFXPUGWLGJCS-HOTGVXAUSA-N 2 0 296.842 2.790 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccncc2)C1 ZINC000563363421 290138494 /nfs/dbraw/zinc/13/84/94/290138494.db2.gz KOTDPRGRXKVBLO-DLBZAZTESA-N 2 0 273.424 2.745 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cc(N)ccc2O1 ZINC000563423208 290148638 /nfs/dbraw/zinc/14/86/38/290148638.db2.gz DYAYEWVJJQMFQQ-LNSITVRQSA-N 2 0 289.423 2.731 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000563425405 290149201 /nfs/dbraw/zinc/14/92/01/290149201.db2.gz PPIURPJFELPBFA-SOUVJXGZSA-N 2 0 280.387 2.843 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Oc1cccc(F)c1 ZINC000563425402 290149355 /nfs/dbraw/zinc/14/93/55/290149355.db2.gz PPIURPJFELPBFA-QLFBSQMISA-N 2 0 280.387 2.843 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000563528229 290157647 /nfs/dbraw/zinc/15/76/47/290157647.db2.gz NBOOBLZXOTXJIO-GUTXKFCHSA-N 2 0 287.407 2.567 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000563667854 290167783 /nfs/dbraw/zinc/16/77/83/290167783.db2.gz VJXDIBASBREIDL-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000563921302 290183501 /nfs/dbraw/zinc/18/35/01/290183501.db2.gz ZVHMVFYSNICTDE-RBSFLKMASA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000563929075 290184283 /nfs/dbraw/zinc/18/42/83/290184283.db2.gz IWKURQROKCMXQN-AOCRQIFASA-N 2 0 288.435 2.666 20 0 CFADRP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C(C)C ZINC000563955492 290186338 /nfs/dbraw/zinc/18/63/38/290186338.db2.gz HVDJMIVUCWEAIS-RDJZCZTQSA-N 2 0 297.487 2.519 20 0 CFADRP Cc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cn1 ZINC000564201183 290196207 /nfs/dbraw/zinc/19/62/07/290196207.db2.gz IAHWDCCJPCWWJH-SJORKVTESA-N 2 0 267.376 2.667 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000564426122 290208232 /nfs/dbraw/zinc/20/82/32/290208232.db2.gz CMZFZADQTZMDNU-BQFCYCMXSA-N 2 0 288.435 2.756 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423572620 290222765 /nfs/dbraw/zinc/22/27/65/290222765.db2.gz YKIHAZCOLZODTC-KSZLIROESA-N 2 0 287.451 2.554 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000358364932 290223897 /nfs/dbraw/zinc/22/38/97/290223897.db2.gz HCWNXXOOEDTVHW-XWSJACJDSA-N 2 0 299.462 2.648 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353626194 290224324 /nfs/dbraw/zinc/22/43/24/290224324.db2.gz XUJUSJLXGAMFRW-LTIDMASMSA-N 2 0 292.467 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353626173 290224519 /nfs/dbraw/zinc/22/45/19/290224519.db2.gz XOQZXIAPAUGPAE-WCVJEAGWSA-N 2 0 278.440 2.551 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000564822385 290236530 /nfs/dbraw/zinc/23/65/30/290236530.db2.gz MUFAUPYNFMYQEL-INIZCTEOSA-N 2 0 264.413 2.982 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[NH2+]C(C)C)C[C@@H]1OC ZINC000564822361 290236550 /nfs/dbraw/zinc/23/65/50/290236550.db2.gz JFDWGCMLYIFXHT-KGLIPLIRSA-N 2 0 256.434 2.558 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000564824769 290237248 /nfs/dbraw/zinc/23/72/48/290237248.db2.gz YQVZZQWYTQEHJK-MSOLQXFVSA-N 2 0 281.403 2.966 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]1 ZINC000565371323 290298241 /nfs/dbraw/zinc/29/82/41/290298241.db2.gz FMOUIQHAQWUMAY-HUUCEWRRSA-N 2 0 257.381 2.836 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000565586514 290311032 /nfs/dbraw/zinc/31/10/32/290311032.db2.gz SCZBBEGDBPBMGF-JXXVNRNDSA-N 2 0 299.462 2.585 20 0 CFADRP CSCC1CCC([NH2+]CCN2CC[C@@H](C)C2)CC1 ZINC000565638880 290314661 /nfs/dbraw/zinc/31/46/61/290314661.db2.gz SIODEAQRYCUOIQ-WLYUNCDWSA-N 2 0 270.486 2.840 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000565659230 290315839 /nfs/dbraw/zinc/31/58/39/290315839.db2.gz VHXACQXMALWDII-WBVHZDCISA-N 2 0 274.408 2.529 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566010213 290340792 /nfs/dbraw/zinc/34/07/92/290340792.db2.gz DZRUNGMKCGQIMJ-CABCVRRESA-N 2 0 278.827 2.814 20 0 CFADRP CC(C)[NH2+]CCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000566008463 290340852 /nfs/dbraw/zinc/34/08/52/290340852.db2.gz IIZSGNHSYIZECV-MRXNPFEDSA-N 2 0 297.487 2.569 20 0 CFADRP CC(C)(C)c1csc(CN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000566482744 290393058 /nfs/dbraw/zinc/39/30/58/290393058.db2.gz QAYBEHKETQCDNQ-WDEREUQCSA-N 2 0 267.442 2.800 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3ccc(F)cc32)C1 ZINC000566481789 290393100 /nfs/dbraw/zinc/39/31/00/290393100.db2.gz KDLWEASCTLXENL-BZPMIXESSA-N 2 0 264.344 2.509 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CC[NH2+]C1 ZINC000415115278 290393562 /nfs/dbraw/zinc/39/35/62/290393562.db2.gz GVGJXZXNKCPNCB-MAUKXSAKSA-N 2 0 287.451 2.513 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000567041249 290434161 /nfs/dbraw/zinc/43/41/61/290434161.db2.gz IFIQFSRRCLXKFH-LLVKDONJSA-N 2 0 252.427 2.887 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccc2c(c1)OCCO2 ZINC000567639472 290480415 /nfs/dbraw/zinc/48/04/15/290480415.db2.gz RJSRYLZSIJNRER-OAHLLOKOSA-N 2 0 292.423 2.887 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000567723934 290488573 /nfs/dbraw/zinc/48/85/73/290488573.db2.gz CQBYQBDZDCIVIA-DOTOQJQBSA-N 2 0 271.408 2.960 20 0 CFADRP COc1cccc(C2([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000568415028 290553364 /nfs/dbraw/zinc/55/33/64/290553364.db2.gz DFHBCNLPMBNAPP-KGLIPLIRSA-N 2 0 260.381 2.544 20 0 CFADRP COc1ccc(C2([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000569019776 290583133 /nfs/dbraw/zinc/58/31/33/290583133.db2.gz OHNRDPCTSHLIRJ-ZIAGYGMSSA-N 2 0 260.381 2.544 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486424 294601856 /nfs/dbraw/zinc/60/18/56/294601856.db2.gz SQYIWQMQJCXXIO-PMPSAXMXSA-N 2 0 290.455 2.568 20 0 CFADRP F[C@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335170851 294731405 /nfs/dbraw/zinc/73/14/05/294731405.db2.gz QRMOKGJYVHKPLL-GXTWGEPZSA-N 2 0 263.360 2.531 20 0 CFADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000333256489 295208954 /nfs/dbraw/zinc/20/89/54/295208954.db2.gz ICMZGXJFGKETSC-HRCADAONSA-N 2 0 279.472 2.548 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000423118694 295209831 /nfs/dbraw/zinc/20/98/31/295209831.db2.gz BYFPYPDBWDIPMM-KGLIPLIRSA-N 2 0 292.423 2.805 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2C[NH2+]C2)cc1F ZINC000423303464 295220808 /nfs/dbraw/zinc/22/08/08/295220808.db2.gz LPNAAWSEWSCWAW-GOEBONIOSA-N 2 0 292.398 2.670 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2(C(F)(F)F)CCC2)CC1 ZINC000423109301 295223299 /nfs/dbraw/zinc/22/32/99/295223299.db2.gz NJAORQCCLHPOJH-UHFFFAOYSA-N 2 0 264.335 2.826 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000423190777 295231276 /nfs/dbraw/zinc/23/12/76/295231276.db2.gz OHRHEALZPUSXOF-OAHLLOKOSA-N 2 0 250.361 2.995 20 0 CFADRP [NH3+]CCOCC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000357029669 295235054 /nfs/dbraw/zinc/23/50/54/295235054.db2.gz OKBJHUQWYZYDJX-UHFFFAOYSA-N 2 0 294.414 2.936 20 0 CFADRP COc1ccc([C@H]([NH2+]CCCC[NH3+])C(C)C)cc1 ZINC000423323442 295244835 /nfs/dbraw/zinc/24/48/35/295244835.db2.gz JLKGKTJWVUBBAX-OAHLLOKOSA-N 2 0 250.386 2.721 20 0 CFADRP COc1ccc([C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C(C)C)cc1 ZINC000423435226 295246099 /nfs/dbraw/zinc/24/60/99/295246099.db2.gz DMFUGIQHKSIKFU-YWPYICTPSA-N 2 0 250.386 2.718 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423281954 295251311 /nfs/dbraw/zinc/25/13/11/295251311.db2.gz VOYROPMDCOWSTI-APHBMKBZSA-N 2 0 262.372 2.920 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422913635 295255919 /nfs/dbraw/zinc/25/59/19/295255919.db2.gz YVDHPCCRPVDSQC-BZSNNMDCSA-N 2 0 293.499 2.748 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000415040234 295259103 /nfs/dbraw/zinc/25/91/03/295259103.db2.gz OSQWCYIEISCDIV-KKOKHZNYSA-N 2 0 264.335 2.825 20 0 CFADRP [NH3+]C[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000334998349 295268846 /nfs/dbraw/zinc/26/88/46/295268846.db2.gz PFRXSRLPTUHMTH-ABAIWWIYSA-N 2 0 264.800 2.998 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000423417452 295275513 /nfs/dbraw/zinc/27/55/13/295275513.db2.gz FLCKCFKWLWHQOP-NNPSNHGLSA-N 2 0 294.483 2.936 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000422967608 295296927 /nfs/dbraw/zinc/29/69/27/295296927.db2.gz UIGOTUPOAYSQPH-OAGGEKHMSA-N 2 0 291.439 2.666 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000148202068 295325420 /nfs/dbraw/zinc/32/54/20/295325420.db2.gz GFEPKGKNNBDZHB-DUVNUKRYSA-N 2 0 262.397 2.863 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334848813 295335804 /nfs/dbraw/zinc/33/58/04/295335804.db2.gz KXUQJFHYAOIWKS-CABCVRRESA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000423098371 295339187 /nfs/dbraw/zinc/33/91/87/295339187.db2.gz KRNQQSLDHRIZDF-JKSUJKDBSA-N 2 0 279.472 2.502 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414899085 295363548 /nfs/dbraw/zinc/36/35/48/295363548.db2.gz CDWIOAIHFHHRJP-PBHICJAKSA-N 2 0 276.424 2.606 20 0 CFADRP CSCC1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423165472 295589084 /nfs/dbraw/zinc/58/90/84/295589084.db2.gz XZYOFOBHDWDKPI-JLVJUDLZSA-N 2 0 270.486 2.886 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCc2ccccc21 ZINC000423018460 300806158 /nfs/dbraw/zinc/80/61/58/300806158.db2.gz QYQAAZFSUFFDSJ-CGTJXYLNSA-N 2 0 272.436 2.998 20 0 CFADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](C)C[NH3+])CCCO2 ZINC000423298249 301212636 /nfs/dbraw/zinc/21/26/36/301212636.db2.gz NUGZZTNGYORNPB-IUODEOHRSA-N 2 0 262.397 2.702 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)o1 ZINC000400962807 301419670 /nfs/dbraw/zinc/41/96/70/301419670.db2.gz CDYRBSXJDRKZRP-ZGKBOVNRSA-N 2 0 262.397 2.935 20 0 CFADRP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[NH3+])CCCO2 ZINC000423343533 301447886 /nfs/dbraw/zinc/44/78/86/301447886.db2.gz ZXCFEHZKKFFCCL-OAHLLOKOSA-N 2 0 262.397 2.846 20 0 CFADRP Cc1ccc([C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422775206 301798698 /nfs/dbraw/zinc/79/86/98/301798698.db2.gz ANSFONZVBVINMG-SZMVWBNQSA-N 2 0 289.467 2.718 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000423246843 302102267 /nfs/dbraw/zinc/10/22/67/302102267.db2.gz KJDOWZBPEWYOTM-QAPCUYQASA-N 2 0 272.436 2.905 20 0 CFADRP Cc1ccncc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369207451 302289259 /nfs/dbraw/zinc/28/92/59/302289259.db2.gz YXEMDYBBGUOKPA-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP FC(F)(F)CC[N@H+](CC1CC1)CC1CC[NH2+]CC1 ZINC000178977184 303113117 /nfs/dbraw/zinc/11/31/17/303113117.db2.gz WLJBTBJYWYBQHY-UHFFFAOYSA-N 2 0 264.335 2.650 20 0 CFADRP Fc1cc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000335040261 303129195 /nfs/dbraw/zinc/12/91/95/303129195.db2.gz DGGNAEVYCOZBGO-GJZGRUSLSA-N 2 0 298.789 2.651 20 0 CFADRP CCSc1cccc(C[NH2+]C[C@H](C)C[NH2+]C)c1 ZINC000414847877 529252165 /nfs/dbraw/zinc/25/21/65/529252165.db2.gz WHRZLPRHTMTHMO-GFCCVEGCSA-N 2 0 252.427 2.744 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000423339137 303375746 /nfs/dbraw/zinc/37/57/46/303375746.db2.gz WNBBRGIPRRJREZ-ZDUSSCGKSA-N 2 0 268.788 2.882 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCCCC1 ZINC000423266477 303417968 /nfs/dbraw/zinc/41/79/68/303417968.db2.gz SDBWZRXXESHSAB-ZACQAIPSSA-N 2 0 273.424 2.628 20 0 CFADRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(C(F)(F)F)c1 ZINC000422877989 533695940 /nfs/dbraw/zinc/69/59/40/533695940.db2.gz JIKURXDWWFCYRY-VHSXEESVSA-N 2 0 290.329 2.929 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541520 304857985 /nfs/dbraw/zinc/85/79/85/304857985.db2.gz SBRQTUWSAIKIJU-KRWDZBQOSA-N 2 0 271.408 2.833 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(Cl)c1 ZINC000414796278 533699228 /nfs/dbraw/zinc/69/92/28/533699228.db2.gz HGSDNVXGZMIOPY-NHYWBVRUSA-N 2 0 282.815 2.956 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000570529871 322537792 /nfs/dbraw/zinc/53/77/92/322537792.db2.gz YYKIZXKMVYHRDS-HRCADAONSA-N 2 0 268.445 2.831 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)nc2c1CCC2 ZINC000570801532 322552642 /nfs/dbraw/zinc/55/26/42/322552642.db2.gz DRTFSCXPMGGENX-UHFFFAOYSA-N 2 0 285.435 2.534 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)nc1 ZINC000572712687 322628830 /nfs/dbraw/zinc/62/88/30/322628830.db2.gz QZPYGNXZMDZCSR-GOSISDBHSA-N 2 0 299.393 2.899 20 0 CFADRP c1c[nH]c([C@H]([NH2+]CCC2=CC[NH2+]CC2)C2CCCCC2)n1 ZINC000572712821 322629198 /nfs/dbraw/zinc/62/91/98/322629198.db2.gz BUQSUIRXTAFNPZ-MRXNPFEDSA-N 2 0 288.439 2.931 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000573437214 322655990 /nfs/dbraw/zinc/65/59/90/322655990.db2.gz VVLLZEKADVJLPZ-YPMHNXCESA-N 2 0 279.453 2.643 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+]CCCC(C)(C)C)CC[NH2+]CC1 ZINC000573594018 322662285 /nfs/dbraw/zinc/66/22/85/322662285.db2.gz GUYBQSADGIHMKB-AWEZNQCLSA-N 2 0 298.471 2.724 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000574191174 322684314 /nfs/dbraw/zinc/68/43/14/322684314.db2.gz RQGBEYUNQFUXCJ-OLZOCXBDSA-N 2 0 250.386 2.782 20 0 CFADRP CN1CC[NH+](CCCC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000574544898 322696931 /nfs/dbraw/zinc/69/69/31/322696931.db2.gz PADOZLPVMJVLJI-UHFFFAOYSA-N 2 0 293.499 2.572 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCC2CCCCCC2)CC1 ZINC000574607287 322698957 /nfs/dbraw/zinc/69/89/57/322698957.db2.gz WRWPPIUHXYHMMG-KRWDZBQOSA-N 2 0 295.515 2.963 20 0 CFADRP CC1(C)CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211952247 324110007 /nfs/dbraw/zinc/11/00/07/324110007.db2.gz RAPAGHZZBZRAPI-UHFFFAOYSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000211943125 324111003 /nfs/dbraw/zinc/11/10/03/324111003.db2.gz HRJCGFGFFOWFDR-OKILXGFUSA-N 2 0 258.409 2.810 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)CC(C)(C)C)N1CC[NH+](C)CC1 ZINC000384637797 324449522 /nfs/dbraw/zinc/44/95/22/324449522.db2.gz AILYZUFHDLPMNF-HZPDHXFCSA-N 2 0 283.504 2.673 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000387425199 324492095 /nfs/dbraw/zinc/49/20/95/324492095.db2.gz VZCVJKROOQYMKJ-CYBMUJFWSA-N 2 0 276.449 2.950 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCO1 ZINC000388941826 324512388 /nfs/dbraw/zinc/51/23/88/324512388.db2.gz DJJXOWLNUDKCON-OVYGPGRDSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000389929461 324521199 /nfs/dbraw/zinc/52/11/99/324521199.db2.gz YYGIIOZGVHWZHB-HYVNUMGLSA-N 2 0 276.424 2.841 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000577425404 324736428 /nfs/dbraw/zinc/73/64/28/324736428.db2.gz URDPJKPTJIXTAA-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000577851319 324787653 /nfs/dbraw/zinc/78/76/53/324787653.db2.gz SKYABGLRURTKMZ-ZRUFSTJUSA-N 2 0 252.324 2.823 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH3+])CC2)o1 ZINC000578240677 324832091 /nfs/dbraw/zinc/83/20/91/324832091.db2.gz CIOCAIUEUVUBSZ-UHFFFAOYSA-N 2 0 288.395 2.539 20 0 CFADRP C[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000578824775 324891378 /nfs/dbraw/zinc/89/13/78/324891378.db2.gz TYCOYWYLBJJULT-KBPBESRZSA-N 2 0 288.439 2.680 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c(C)c1OC ZINC000578994669 324909418 /nfs/dbraw/zinc/90/94/18/324909418.db2.gz GGQRHHBAYJHILJ-CYBMUJFWSA-N 2 0 292.423 2.662 20 0 CFADRP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)n1C ZINC000581022846 325084217 /nfs/dbraw/zinc/08/42/17/325084217.db2.gz LDQYIHCIAFKZFR-IAQYHMDHSA-N 2 0 271.364 2.730 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581059447 325086465 /nfs/dbraw/zinc/08/64/65/325086465.db2.gz PCPYJUGANIVMDP-BKQLOGFTSA-N 2 0 250.411 2.552 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)C1 ZINC000583093917 325259953 /nfs/dbraw/zinc/25/99/53/325259953.db2.gz FWDMZBPQVUEDAK-CABCVRRESA-N 2 0 289.423 2.763 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]CCc2cccc(Cl)c2)C1 ZINC000583129432 325262070 /nfs/dbraw/zinc/26/20/70/325262070.db2.gz IBKUBDNOPACBLM-CQSZACIVSA-N 2 0 266.816 2.814 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)s1 ZINC000583428396 325287119 /nfs/dbraw/zinc/28/71/19/325287119.db2.gz FSABNJAZAXXGLD-AAEUAGOBSA-N 2 0 252.427 2.843 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000583681256 325303499 /nfs/dbraw/zinc/30/34/99/325303499.db2.gz PRLRMFGJWAYMGA-GOEBONIOSA-N 2 0 298.434 2.613 20 0 CFADRP CCC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000583735118 325306832 /nfs/dbraw/zinc/30/68/32/325306832.db2.gz VYFHWRYCDHTECM-CQSZACIVSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1c[nH+]ccc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000583787567 325310322 /nfs/dbraw/zinc/31/03/22/325310322.db2.gz WERMNCLWLZDLEM-UHFFFAOYSA-N 2 0 261.413 2.947 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000584100919 325330629 /nfs/dbraw/zinc/33/06/29/325330629.db2.gz TXNFMKYTVSHSFQ-RANZSIQMSA-N 2 0 287.451 2.587 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000584285581 325343526 /nfs/dbraw/zinc/34/35/26/325343526.db2.gz NGKRGBHXFZTCOG-OAHLLOKOSA-N 2 0 250.361 2.791 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000584285649 325343558 /nfs/dbraw/zinc/34/35/58/325343558.db2.gz YDVUEVJZGBIMND-DOTOQJQBSA-N 2 0 276.424 2.733 20 0 CFADRP CC(C)(C)c1csc(CC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000584301751 325345237 /nfs/dbraw/zinc/34/52/37/325345237.db2.gz CPTMOXLRNWPAGS-NWDGAFQWSA-N 2 0 281.469 2.843 20 0 CFADRP Cc1cc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)ccc1F ZINC000415082821 533716012 /nfs/dbraw/zinc/71/60/12/533716012.db2.gz MDQTXDBBYXBLRY-GXTWGEPZSA-N 2 0 250.361 2.754 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCC(=O)OC(C)(C)C)CC1 ZINC000360253924 519847074 /nfs/dbraw/zinc/84/70/74/519847074.db2.gz UVGBTHWNRXHDOG-UHFFFAOYSA-N 2 0 284.444 2.572 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000354552632 520119838 /nfs/dbraw/zinc/11/98/38/520119838.db2.gz SMOZMSAHODVVKP-LSDHHAIUSA-N 2 0 256.434 2.513 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC000050576484 521710769 /nfs/dbraw/zinc/71/07/69/521710769.db2.gz UEZZBMKMKDDACX-ZDUSSCGKSA-N 2 0 250.361 2.566 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)C1 ZINC000223457051 521717657 /nfs/dbraw/zinc/71/76/57/521717657.db2.gz XFSMSIZQXGMERO-BZUAXINKSA-N 2 0 282.472 2.758 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCCCC2)[C@H](C)C1 ZINC000305134751 521721289 /nfs/dbraw/zinc/72/12/89/521721289.db2.gz KRMHOEBUWXQULU-CVEARBPZSA-N 2 0 282.472 2.639 20 0 CFADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCCC[NH+](C)C)c1 ZINC000361011951 522056862 /nfs/dbraw/zinc/05/68/62/522056862.db2.gz GUVFVZLMPGJMER-UHFFFAOYSA-N 2 0 298.814 2.558 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000414342450 533753622 /nfs/dbraw/zinc/75/36/22/533753622.db2.gz PPRUWYUEIQXXKK-HUHSQHJXSA-N 2 0 288.435 2.729 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423308898 533772250 /nfs/dbraw/zinc/77/22/50/533772250.db2.gz PDPNQZDXVJXBIF-IUCAKERBSA-N 2 0 289.192 2.834 20 0 CFADRP C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000414860407 533788173 /nfs/dbraw/zinc/78/81/73/533788173.db2.gz VHGIEUKCXYHUAS-FTKHWWAOSA-N 2 0 280.362 2.956 20 0 CFADRP C[C@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000423154631 533792021 /nfs/dbraw/zinc/79/20/21/533792021.db2.gz JVIHGCWQAOBPCE-NSHDSACASA-N 2 0 264.800 2.613 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414896310 533813641 /nfs/dbraw/zinc/81/36/41/533813641.db2.gz BLJCNIPUUHEQIN-SNVBAGLBSA-N 2 0 252.324 2.697 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1OCCc2sccc21 ZINC000423131012 533813617 /nfs/dbraw/zinc/81/36/17/533813617.db2.gz NFZMMZPUHGCHJQ-FPXQLKFLSA-N 2 0 292.448 2.623 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414828124 533827774 /nfs/dbraw/zinc/82/77/74/533827774.db2.gz IKSZEBXIIBDYKI-RDJZCZTQSA-N 2 0 260.425 2.905 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000423559743 533839727 /nfs/dbraw/zinc/83/97/27/533839727.db2.gz OWIYKNDHMPZHOQ-HNNXBMFYSA-N 2 0 296.418 2.833 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422880728 533845391 /nfs/dbraw/zinc/84/53/91/533845391.db2.gz MNJLAAGJSWRRNS-HZPDHXFCSA-N 3 0 269.477 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422735304 533847065 /nfs/dbraw/zinc/84/70/65/533847065.db2.gz VWOAFVNITNOALR-HUUCEWRRSA-N 2 0 295.496 2.992 20 0 CFADRP C[C@H]([NH2+]CCCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000422827671 533844588 /nfs/dbraw/zinc/84/45/88/533844588.db2.gz DZJATKMHUHSPJT-XJKSGUPXSA-N 2 0 280.387 2.715 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCN1c2ccccc2C[C@H]1C ZINC000422769902 533844877 /nfs/dbraw/zinc/84/48/77/533844877.db2.gz UJPBYYROUDKHQQ-HUUCEWRRSA-N 2 0 275.440 2.545 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000423118909 533850730 /nfs/dbraw/zinc/85/07/30/533850730.db2.gz CPBRZANFKMHKDH-DOMZBBRYSA-N 2 0 284.831 2.871 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000423128194 533851247 /nfs/dbraw/zinc/85/12/47/533851247.db2.gz KPYJFBCQAHSLEZ-ZIAGYGMSSA-N 2 0 279.403 2.512 20 0 CFADRP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414749179 533863584 /nfs/dbraw/zinc/86/35/84/533863584.db2.gz XSAFPBISZQUYIH-ZDUSSCGKSA-N 2 0 296.842 2.952 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423265200 533866190 /nfs/dbraw/zinc/86/61/90/533866190.db2.gz ZNWVPNUZWWNRDJ-UONOGXRCSA-N 2 0 274.408 2.757 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423246096 533868836 /nfs/dbraw/zinc/86/88/36/533868836.db2.gz JXPVIWWWKNRRFS-NWDGAFQWSA-N 2 0 275.421 2.947 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccccc1OC(F)(F)F ZINC000422924401 533868096 /nfs/dbraw/zinc/86/80/96/533868096.db2.gz AZOZDVPAHIUCTC-LLVKDONJSA-N 2 0 290.329 2.845 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422944972 533872173 /nfs/dbraw/zinc/87/21/73/533872173.db2.gz MKWHQIMNPMQHNX-LLVKDONJSA-N 2 0 272.339 2.548 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000423121474 533873290 /nfs/dbraw/zinc/87/32/90/533873290.db2.gz IKXYEUSAGHEPIQ-ZIAGYGMSSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000422837113 533870072 /nfs/dbraw/zinc/87/00/72/533870072.db2.gz LLHLTVJAWVBAPL-HUUCEWRRSA-N 2 0 295.496 2.677 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422963773 533870137 /nfs/dbraw/zinc/87/01/37/533870137.db2.gz JLPWQDAIQOZZPX-HUUCEWRRSA-N 2 0 279.428 2.524 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000423023293 533870463 /nfs/dbraw/zinc/87/04/63/533870463.db2.gz JKEHCWLQGDNPFB-LLVKDONJSA-N 2 0 269.458 2.700 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422768531 533882948 /nfs/dbraw/zinc/88/29/48/533882948.db2.gz UQZHGBJAUCOLRJ-VGWMRTNUSA-N 2 0 282.472 2.948 20 0 CFADRP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422964503 533901979 /nfs/dbraw/zinc/90/19/79/533901979.db2.gz LYUUMNPZZUNMGP-HRCADAONSA-N 2 0 291.439 2.537 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]CCCc1c(F)cccc1Cl ZINC000414900019 533899192 /nfs/dbraw/zinc/89/91/92/533899192.db2.gz VKHDJZZPMAYTDG-SNVBAGLBSA-N 2 0 258.768 2.739 20 0 CFADRP C[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422739940 533919501 /nfs/dbraw/zinc/91/95/01/533919501.db2.gz AUGGVKMSAJASQC-GUYCJALGSA-N 2 0 293.430 2.508 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cnn1C(C)C ZINC000423490126 533942923 /nfs/dbraw/zinc/94/29/23/533942923.db2.gz XKXJMVIUKIOLCV-HIFRSBDPSA-N 2 0 278.444 2.955 20 0 CFADRP C[C@H](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+]1CCCCC1 ZINC000423034240 533944589 /nfs/dbraw/zinc/94/45/89/533944589.db2.gz PPISWNJMCHUPML-OLMNPRSZSA-N 2 0 287.451 2.985 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000425363187 533983214 /nfs/dbraw/zinc/98/32/14/533983214.db2.gz WECUVAYIXWLTGV-CLRIEMFWSA-N 2 0 256.459 2.590 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425347102 534000974 /nfs/dbraw/zinc/00/09/74/534000974.db2.gz XGTUDZHAJXMIAJ-GVDBMIGSSA-N 2 0 290.476 2.992 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414840224 534001641 /nfs/dbraw/zinc/00/16/41/534001641.db2.gz YGTRAGOWVIIREE-TZMCWYRMSA-N 2 0 252.427 2.658 20 0 CFADRP COc1ccccc1C1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422843403 534002223 /nfs/dbraw/zinc/00/22/23/534002223.db2.gz IDJBJEWWLXRLAL-HOCLYGCPSA-N 2 0 288.435 2.834 20 0 CFADRP C[C@@H](C[NH2+]CC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000414906498 534057495 /nfs/dbraw/zinc/05/74/95/534057495.db2.gz PXVMXYFTOWNQGY-OAHLLOKOSA-N 2 0 260.425 2.845 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000414863866 534067890 /nfs/dbraw/zinc/06/78/90/534067890.db2.gz YIMFOMWNBCWKJN-ZDUSSCGKSA-N 2 0 252.789 2.738 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000422771078 534070132 /nfs/dbraw/zinc/07/01/32/534070132.db2.gz XOSIFGJXAGDPRW-RISCZKNCSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000422739338 534072888 /nfs/dbraw/zinc/07/28/88/534072888.db2.gz LCTNZGMUGBJIDN-SJLPKXTDSA-N 2 0 289.467 2.881 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422937596 534074392 /nfs/dbraw/zinc/07/43/92/534074392.db2.gz OIVDIAQBINHHCE-BXUZGUMPSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc2cccnc21 ZINC000422815465 534075023 /nfs/dbraw/zinc/07/50/23/534075023.db2.gz BVGXIZTXKCJSAK-RHSMWYFYSA-N 2 0 283.419 2.755 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423096824 534075315 /nfs/dbraw/zinc/07/53/15/534075315.db2.gz IEFLBGKQVOARTR-CZUORRHYSA-N 2 0 271.408 2.688 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000423176546 534076459 /nfs/dbraw/zinc/07/64/59/534076459.db2.gz GJCRSEXJMKUXEB-VWYCJHECSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000422759682 534077952 /nfs/dbraw/zinc/07/79/52/534077952.db2.gz LHPUKHFHTUHUTQ-BQFCYCMXSA-N 2 0 290.451 2.960 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c2ccccc12 ZINC000423166425 534085625 /nfs/dbraw/zinc/08/56/25/534085625.db2.gz CNRWASRVVWGPKN-CYBMUJFWSA-N 2 0 254.377 2.846 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422816752 534108811 /nfs/dbraw/zinc/10/88/11/534108811.db2.gz BGWJKBNZSOSQIE-HYVNUMGLSA-N 2 0 290.451 2.992 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414825025 534110859 /nfs/dbraw/zinc/11/08/59/534110859.db2.gz GORWZAWRCXWDKT-BMFGBOJTSA-N 2 0 299.462 2.695 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423341898 534111440 /nfs/dbraw/zinc/11/14/40/534111440.db2.gz KNYHKJGHAIHCIG-QFBILLFUSA-N 3 0 299.462 2.549 20 0 CFADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422957764 534113757 /nfs/dbraw/zinc/11/37/57/534113757.db2.gz NWWZZJDWPVTONY-ZHCNRQHHSA-N 2 0 256.393 2.793 20 0 CFADRP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422884219 534122430 /nfs/dbraw/zinc/12/24/30/534122430.db2.gz DOLJYNNKKLTZSO-BFYDXBDKSA-N 2 0 260.425 2.965 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000414800844 534147748 /nfs/dbraw/zinc/14/77/48/534147748.db2.gz IYIMDVSHNIYXBL-LLVKDONJSA-N 2 0 297.830 2.692 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000422786660 534177157 /nfs/dbraw/zinc/17/71/57/534177157.db2.gz QLMIHJFUBVNZIT-WMHQRMGPSA-N 2 0 262.397 2.622 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000422827409 534200574 /nfs/dbraw/zinc/20/05/74/534200574.db2.gz DOGVAGNLYWYQNC-HOCLYGCPSA-N 2 0 290.455 2.548 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH3+] ZINC000414905416 534239296 /nfs/dbraw/zinc/23/92/96/534239296.db2.gz OIHVOMLJLCMXQY-NSHDSACASA-N 2 0 274.330 2.965 20 0 CFADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CC[NH2+]CC1 ZINC000414784811 534239787 /nfs/dbraw/zinc/23/97/87/534239787.db2.gz TVNZUEYVCIUEAW-NSHDSACASA-N 2 0 286.341 2.978 20 0 CFADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCC[NH3+] ZINC000423196081 534249249 /nfs/dbraw/zinc/24/92/49/534249249.db2.gz USJKJCPZKIGVOD-JTQLQIEISA-N 2 0 260.303 2.575 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCOC1CCCC1 ZINC000422823252 534350339 /nfs/dbraw/zinc/35/03/39/534350339.db2.gz CXLLRYQYYOAAMS-CYBMUJFWSA-N 2 0 291.439 2.849 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1nccs1 ZINC000422915458 534350863 /nfs/dbraw/zinc/35/08/63/534350863.db2.gz YJJMZQSFPZOPSG-LLVKDONJSA-N 2 0 290.436 2.589 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360253624 518935098 /nfs/dbraw/zinc/93/50/98/518935098.db2.gz ZQZFIBZYAKAPLX-BZUAXINKSA-N 2 0 282.472 2.638 20 0 CFADRP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC1CCCC1 ZINC000423094391 534390573 /nfs/dbraw/zinc/39/05/73/534390573.db2.gz BPIQCRMNIVUZIP-XWTMOSNGSA-N 2 0 294.483 2.686 20 0 CFADRP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414822842 534404614 /nfs/dbraw/zinc/40/46/14/534404614.db2.gz CTFSVRVLLFNYTG-LBPRGKRZSA-N 2 0 288.313 2.674 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422933951 534419595 /nfs/dbraw/zinc/41/95/95/534419595.db2.gz IZSBDWOMLZJQFG-KJFZJZGVSA-N 2 0 256.393 2.855 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000163578180 519653654 /nfs/dbraw/zinc/65/36/54/519653654.db2.gz INBWNLBTSMBWOT-DOTOQJQBSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)OCCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000228837790 519760774 /nfs/dbraw/zinc/76/07/74/519760774.db2.gz GAOQDYMVGYCNMP-UHFFFAOYSA-N 2 0 256.434 2.654 20 0 CFADRP CC(C)Oc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000084627676 519779058 /nfs/dbraw/zinc/77/90/58/519779058.db2.gz WNKWICSLOOPABS-UHFFFAOYSA-N 2 0 262.397 2.658 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000339405430 519817700 /nfs/dbraw/zinc/81/77/00/519817700.db2.gz CHCCAYNRVHOUFJ-QGZVFWFLSA-N 2 0 290.451 2.859 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000070346229 519827692 /nfs/dbraw/zinc/82/76/92/519827692.db2.gz AUOTXTLUEXACII-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CC2(COC)CCC2)CC1 ZINC000361318835 519844065 /nfs/dbraw/zinc/84/40/65/519844065.db2.gz QGHXJEYXCMWUCD-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC000088520417 519844326 /nfs/dbraw/zinc/84/43/26/519844326.db2.gz XWJBYPPIMIOHFY-INIZCTEOSA-N 2 0 281.488 2.525 20 0 CFADRP CCC[NH+]1CCC(N2CC[NH+]([C@@H]3C=CCCC3)CC2)CC1 ZINC000360536416 519844665 /nfs/dbraw/zinc/84/46/65/519844665.db2.gz KDKBOZDSVPABGD-QGZVFWFLSA-N 2 0 291.483 2.587 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000312867761 519847059 /nfs/dbraw/zinc/84/70/59/519847059.db2.gz YQJJXZGCESNHAF-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000414855654 534465195 /nfs/dbraw/zinc/46/51/95/534465195.db2.gz XBRBDMWZMNZHCF-LLVKDONJSA-N 2 0 270.779 2.958 20 0 CFADRP CCOC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934923 520075049 /nfs/dbraw/zinc/07/50/49/520075049.db2.gz RJRBEAXPQQYSBK-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934937 520138093 /nfs/dbraw/zinc/13/80/93/520138093.db2.gz RJRBEAXPQQYSBK-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP CCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000192654701 520194463 /nfs/dbraw/zinc/19/44/63/520194463.db2.gz FQVWFMRYNVIVRO-AYHJJNSGSA-N 2 0 288.435 2.938 20 0 CFADRP CC[N@H+](C)CCNc1c(C)c[nH+]c2c(C)cccc12 ZINC000360647805 520225329 /nfs/dbraw/zinc/22/53/29/520225329.db2.gz QABXZPLVCWIRID-UHFFFAOYSA-N 2 0 257.381 2.637 20 0 CFADRP Fc1ccc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786100 534477779 /nfs/dbraw/zinc/47/77/79/534477779.db2.gz UBVKNIYZTSOOKX-STQMWFEESA-N 2 0 280.362 2.786 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2ccsc2)C1 ZINC000360975845 520247099 /nfs/dbraw/zinc/24/70/99/520247099.db2.gz RUENIPQTGRNOGT-HNNXBMFYSA-N 2 0 266.454 2.954 20 0 CFADRP CC1(C)C(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000156146857 520251216 /nfs/dbraw/zinc/25/12/16/520251216.db2.gz YWXBTTYGKSAWII-CHWSQXEVSA-N 2 0 250.430 2.885 20 0 CFADRP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422942791 534485003 /nfs/dbraw/zinc/48/50/03/534485003.db2.gz QBLIJHCYCIBGOX-GVDBMIGSSA-N 2 0 292.398 2.715 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000224457289 520369192 /nfs/dbraw/zinc/36/91/92/520369192.db2.gz LYSKDHYTFGONLN-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc2cccnc21 ZINC000335287365 520498441 /nfs/dbraw/zinc/49/84/41/520498441.db2.gz DLSBRBASGIELEB-HNNXBMFYSA-N 2 0 287.382 2.852 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(C)(C)O1 ZINC000178257373 520522614 /nfs/dbraw/zinc/52/26/14/520522614.db2.gz MJQIUKDZPZMQNO-OAHLLOKOSA-N 2 0 280.456 2.797 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423332550 534498309 /nfs/dbraw/zinc/49/83/09/534498309.db2.gz DJUVCOUOXDLWGK-WMZOPIPTSA-N 2 0 286.419 2.664 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)C12CCCCC2 ZINC000087300446 520573611 /nfs/dbraw/zinc/57/36/11/520573611.db2.gz NMBIKGXRTSCZBH-CKUJCDMFSA-N 2 0 280.456 2.974 20 0 CFADRP CC[NH+](CC)CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000191446910 520603790 /nfs/dbraw/zinc/60/37/90/520603790.db2.gz CDXRJHGHOJURII-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000191894807 520604051 /nfs/dbraw/zinc/60/40/51/520604051.db2.gz GLWHPECPKUKLJV-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CC2 ZINC000423443185 534504636 /nfs/dbraw/zinc/50/46/36/534504636.db2.gz QHYKYGNTXUCYBJ-GVDBMIGSSA-N 2 0 274.383 2.791 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000120925239 520624857 /nfs/dbraw/zinc/62/48/57/520624857.db2.gz RNQICIPZXJLBCF-XHSDSOJGSA-N 2 0 280.456 2.656 20 0 CFADRP CCCCOC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971924 520702015 /nfs/dbraw/zinc/70/20/15/520702015.db2.gz SCTUKTSDWZHHIM-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H](C)OC ZINC000361927291 520722596 /nfs/dbraw/zinc/72/25/96/520722596.db2.gz SOALPVAZUJURMM-FZKCQIBNSA-N 2 0 270.461 2.900 20 0 CFADRP Fc1cccc(Cl)c1CCC[NH2+]C1CC[NH2+]CC1 ZINC000414773922 534521376 /nfs/dbraw/zinc/52/13/76/534521376.db2.gz ALHKBVONZAYWPU-UHFFFAOYSA-N 2 0 270.779 2.753 20 0 CFADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC(C)(C)C ZINC000361528711 521013663 /nfs/dbraw/zinc/01/36/63/521013663.db2.gz QCOUXFBJBCOSSH-UHFFFAOYSA-N 2 0 283.504 2.771 20 0 CFADRP c1nc([C@H]2CCCO2)sc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414974674 534533272 /nfs/dbraw/zinc/53/32/72/534533272.db2.gz NWSMZNSUKOLCCZ-GXTWGEPZSA-N 2 0 295.452 2.616 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227417195 521097550 /nfs/dbraw/zinc/09/75/50/521097550.db2.gz RJSDSCWYSPQTKJ-WQVCFCJDSA-N 2 0 262.397 2.520 20 0 CFADRP CC(C)(C)C1CC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000459438008 534551919 /nfs/dbraw/zinc/55/19/19/534551919.db2.gz RZEVIHZBDDBNSZ-UQPPLGOBSA-N 2 0 294.483 2.902 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246481768 521329783 /nfs/dbraw/zinc/32/97/83/521329783.db2.gz RGTNETGRDVAVNL-GOEBONIOSA-N 2 0 276.424 2.700 20 0 CFADRP CCC(CC)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000354502709 521513933 /nfs/dbraw/zinc/51/39/33/521513933.db2.gz PAMXEDUVXPQMJA-SJPCQFCGSA-N 2 0 282.472 2.996 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](COC)CC(C)C)CC1 ZINC000361766131 521549450 /nfs/dbraw/zinc/54/94/50/521549450.db2.gz MHVAJAMWQQCTQP-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000155552638 521691889 /nfs/dbraw/zinc/69/18/89/521691889.db2.gz PRYJKQIDQADSSG-GJZGRUSLSA-N 2 0 293.430 2.502 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000037644070 521711290 /nfs/dbraw/zinc/71/12/90/521711290.db2.gz RSDIAFMSNVDJII-KBPBESRZSA-N 2 0 262.397 2.688 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000246524731 521715149 /nfs/dbraw/zinc/71/51/49/521715149.db2.gz UYCHSKIIGSUVFY-BLLLJJGKSA-N 2 0 298.377 2.664 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000233516505 521717277 /nfs/dbraw/zinc/71/72/77/521717277.db2.gz PUOYEKYHQBABHZ-BMFZPTHFSA-N 2 0 250.430 2.910 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000360987679 521717789 /nfs/dbraw/zinc/71/77/89/521717789.db2.gz SINWTMICQLGDGU-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2)[C@@H](C)C1 ZINC000246572391 521720911 /nfs/dbraw/zinc/72/09/11/521720911.db2.gz YBDFDVVCKSVVLZ-ZOBUZTSGSA-N 2 0 276.424 2.774 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000305768424 521721138 /nfs/dbraw/zinc/72/11/38/521721138.db2.gz KKIGWAVIDBGXQL-QAETUUGQSA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@@H+]1CCc2c(cccc2N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000367951633 521724503 /nfs/dbraw/zinc/72/45/03/521724503.db2.gz RRCYLENCWQUHDX-GOEBONIOSA-N 2 0 287.451 2.959 20 0 CFADRP CCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000084200463 521840255 /nfs/dbraw/zinc/84/02/55/521840255.db2.gz LRBFWXXKZIFCRT-ALOPSCKCSA-N 2 0 258.409 2.964 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ncc(-c3ccccc3)o2)C1 ZINC000363408531 521847235 /nfs/dbraw/zinc/84/72/35/521847235.db2.gz DOQHEFWGWALHAI-HNNXBMFYSA-N 2 0 299.418 2.768 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2(c3ccccc3)CC2)CC1 ZINC000422801697 534593840 /nfs/dbraw/zinc/59/38/40/534593840.db2.gz ADKCFFRWOXRJBK-UHFFFAOYSA-N 2 0 258.409 2.825 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000337472073 521873933 /nfs/dbraw/zinc/87/39/33/521873933.db2.gz NYEVSPCVKLXAQE-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP [NH3+]CC1CCC([NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000422956412 534594425 /nfs/dbraw/zinc/59/44/25/534594425.db2.gz LBZDPNBLXIXNLR-UHFFFAOYSA-N 2 0 262.372 2.922 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000430606864 534597281 /nfs/dbraw/zinc/59/72/81/534597281.db2.gz WTKQYABJXMGQJA-UHFFFAOYSA-N 2 0 289.354 2.651 20 0 CFADRP [NH3+]CCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000414737854 534608718 /nfs/dbraw/zinc/60/87/18/534608718.db2.gz DQDQYVDWVARTAQ-UHFFFAOYSA-N 2 0 291.222 2.527 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000414906563 534605368 /nfs/dbraw/zinc/60/53/68/534605368.db2.gz PESHUGOSAXWZIL-UHFFFAOYSA-N 2 0 267.423 2.700 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCCOc2cc(C)ccc2C)C1 ZINC000071146936 522090403 /nfs/dbraw/zinc/09/04/03/522090403.db2.gz OTCAGTGSQUSZCV-MRXNPFEDSA-N 2 0 276.424 2.614 20 0 CFADRP CC[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000340675244 522171139 /nfs/dbraw/zinc/17/11/39/522171139.db2.gz APGLDHWQUSPRNM-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP [NH3+]CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423191171 534616194 /nfs/dbraw/zinc/61/61/94/534616194.db2.gz ONCSKRSETJYAGH-CQSZACIVSA-N 2 0 297.240 2.709 20 0 CFADRP [NH3+]CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000423188658 534616224 /nfs/dbraw/zinc/61/62/24/534616224.db2.gz MBHVGVXAWYUBHI-CYBMUJFWSA-N 2 0 283.213 2.839 20 0 CFADRP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000195138619 522356802 /nfs/dbraw/zinc/35/68/02/522356802.db2.gz RNPDVRYVUGBMIB-ZWKOTPCHSA-N 2 0 290.451 2.769 20 0 CFADRP CC[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000340675243 522527194 /nfs/dbraw/zinc/52/71/94/522527194.db2.gz APGLDHWQUSPRNM-DOTOQJQBSA-N 2 0 258.409 2.866 20 0 CFADRP COc1cc(Cl)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334997547 522552465 /nfs/dbraw/zinc/55/24/65/522552465.db2.gz VBDKKYVHUDLGIW-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000158196403 522826173 /nfs/dbraw/zinc/82/61/73/522826173.db2.gz ZKGQINQTVHIIMW-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)[C@H]1CCOC1 ZINC000155836590 522827570 /nfs/dbraw/zinc/82/75/70/522827570.db2.gz ZGXVANWIKLPPKT-JKSUJKDBSA-N 2 0 270.461 2.900 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423094727 534711447 /nfs/dbraw/zinc/71/14/47/534711447.db2.gz KPQIDHKAGOKASJ-XZDPQHSOSA-N 2 0 262.372 2.931 20 0 CFADRP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195138806 523488744 /nfs/dbraw/zinc/48/87/44/523488744.db2.gz MHPALTGHLSMCMA-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)c1 ZINC000423328104 534722744 /nfs/dbraw/zinc/72/27/44/534722744.db2.gz AEXVCGLNBYBZBU-GOSISDBHSA-N 2 0 270.420 2.825 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000126295818 523765233 /nfs/dbraw/zinc/76/52/33/523765233.db2.gz JMWMXZDQXKOPKF-UHFFFAOYSA-N 2 0 287.451 2.587 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CCCOC2)C1 ZINC000334782277 523793137 /nfs/dbraw/zinc/79/31/37/523793137.db2.gz QWAURICOHMOFFD-IAGOWNOFSA-N 2 0 280.456 2.753 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158798613 523833155 /nfs/dbraw/zinc/83/31/55/523833155.db2.gz GVUCJGKOJCIDKL-PBHICJAKSA-N 2 0 292.398 2.621 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@@H]21 ZINC000158614477 523834138 /nfs/dbraw/zinc/83/41/38/523834138.db2.gz SIJNOFLKPHHYIS-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363459524 523846476 /nfs/dbraw/zinc/84/64/76/523846476.db2.gz NRBJNGJUJKPHAH-DOTOQJQBSA-N 2 0 274.408 2.624 20 0 CFADRP CC[C@H](C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000088503047 523880857 /nfs/dbraw/zinc/88/08/57/523880857.db2.gz UNTYYHXWICMFSN-YESZJQIVSA-N 2 0 281.488 2.523 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC3=CCCOC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360792025 524014924 /nfs/dbraw/zinc/01/49/24/524014924.db2.gz SEXLWMSZCWOXQL-QRVBRYPASA-N 2 0 298.430 2.568 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCCOc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193621711 524015700 /nfs/dbraw/zinc/01/57/00/524015700.db2.gz AEEMLRQXAQFCPJ-OKILXGFUSA-N 2 0 294.826 2.602 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ncc(Cl)s2)C1 ZINC000459772447 536384526 /nfs/dbraw/zinc/38/45/26/536384526.db2.gz INKAOFKXWVOGGC-SNVBAGLBSA-N 2 0 273.833 2.618 20 0 CFADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000334904425 524025753 /nfs/dbraw/zinc/02/57/53/524025753.db2.gz WSIXKFMXVJKACC-UHFFFAOYSA-N 2 0 274.408 2.579 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000361330372 524050936 /nfs/dbraw/zinc/05/09/36/524050936.db2.gz FYBKVBUUZSKOFN-KRWDZBQOSA-N 2 0 288.435 2.654 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361896665 524052960 /nfs/dbraw/zinc/05/29/60/524052960.db2.gz KWKZSBUNFOBJTD-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC000459722545 536384060 /nfs/dbraw/zinc/38/40/60/536384060.db2.gz BSFXFEFATSIXGI-CYBMUJFWSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1cccc2cccnc21 ZINC000312341925 524137676 /nfs/dbraw/zinc/13/76/76/524137676.db2.gz IZLZILOPJQVDCL-CQSZACIVSA-N 2 0 271.408 2.884 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000311017272 524308191 /nfs/dbraw/zinc/30/81/91/524308191.db2.gz YHWUIJXAOWOSQL-NXEZZACHSA-N 2 0 258.312 2.533 20 0 CFADRP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360573114 524309905 /nfs/dbraw/zinc/30/99/05/524309905.db2.gz ZTQHDCGXVVCYLJ-GOSISDBHSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335015089 524311886 /nfs/dbraw/zinc/31/18/86/524311886.db2.gz XZQDZVJYDGAYAB-BBRMVZONSA-N 2 0 273.424 2.522 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335024529 524312790 /nfs/dbraw/zinc/31/27/90/524312790.db2.gz ZBJIUGXYARDNRR-BBRMVZONSA-N 2 0 269.392 2.713 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000339406352 524316808 /nfs/dbraw/zinc/31/68/08/524316808.db2.gz DVIQRFJBYVOFMK-SFHVURJKSA-N 2 0 287.451 2.787 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c21 ZINC000422710251 534775467 /nfs/dbraw/zinc/77/54/67/534775467.db2.gz FMBMHEZRPUDUOB-STQMWFEESA-N 2 0 259.397 2.734 20 0 CFADRP Cc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357038903 524390195 /nfs/dbraw/zinc/39/01/95/524390195.db2.gz AHLRLMPRLUIUAV-QGZVFWFLSA-N 2 0 258.409 2.817 20 0 CFADRP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353434949 524438525 /nfs/dbraw/zinc/43/85/25/524438525.db2.gz KDCWNHGSKHOMFM-ZACQAIPSSA-N 2 0 258.409 2.957 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C)c1 ZINC000334865678 524440940 /nfs/dbraw/zinc/44/09/40/524440940.db2.gz KUWHOXAEAJBNDU-MSOLQXFVSA-N 2 0 288.435 2.632 20 0 CFADRP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000168635515 524445763 /nfs/dbraw/zinc/44/57/63/524445763.db2.gz DKXKBIUEYDMORC-CVEARBPZSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309983804 524454262 /nfs/dbraw/zinc/45/42/62/524454262.db2.gz WHPFXKIYQPUOLH-WMZOPIPTSA-N 2 0 289.467 2.758 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)ccc1F ZINC000309206505 524457096 /nfs/dbraw/zinc/45/70/96/524457096.db2.gz BFLDFLYCOSTOED-VIFPVBQESA-N 2 0 289.192 2.805 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Oc1cccc(F)c1 ZINC000361702908 524498292 /nfs/dbraw/zinc/49/82/92/524498292.db2.gz PEQKUFGIJMWASQ-XJKCOSOUSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335042703 524528646 /nfs/dbraw/zinc/52/86/46/524528646.db2.gz UUVQAHKINVNEOC-BXUZGUMPSA-N 2 0 252.789 2.818 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Cl ZINC000334839916 524610244 /nfs/dbraw/zinc/61/02/44/524610244.db2.gz DSYVMSDJCOOYKE-FZMZJTMJSA-N 2 0 252.789 2.736 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000334856785 524697355 /nfs/dbraw/zinc/69/73/55/524697355.db2.gz KYTQOJMBKRZDGK-SUMWQHHRSA-N 2 0 254.377 2.927 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] ZINC000310905896 524724979 /nfs/dbraw/zinc/72/49/79/524724979.db2.gz PVYJJTATEWLMGJ-CHWSQXEVSA-N 2 0 250.386 2.863 20 0 CFADRP Cc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1Br ZINC000228411328 524756392 /nfs/dbraw/zinc/75/63/92/524756392.db2.gz USLPTJTXRAXKTL-UHFFFAOYSA-N 2 0 297.240 2.989 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000361024382 524804820 /nfs/dbraw/zinc/80/48/20/524804820.db2.gz XNZZCQKDHLMLGN-YOEHRIQHSA-N 2 0 288.435 2.626 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)CC[N@@H+]1C ZINC000151306226 524809125 /nfs/dbraw/zinc/80/91/25/524809125.db2.gz TXCRLVIMGAPUTL-YJBOKZPZSA-N 2 0 298.434 2.504 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000310164371 524888730 /nfs/dbraw/zinc/88/87/30/524888730.db2.gz RYAPZAAVORVJJD-NSHDSACASA-N 2 0 254.805 2.936 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000356853647 524901937 /nfs/dbraw/zinc/90/19/37/524901937.db2.gz SOIHDKUQBCFUBS-HUUCEWRRSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000340690829 524913968 /nfs/dbraw/zinc/91/39/68/524913968.db2.gz MTZXODVTAPSVMY-RDJZCZTQSA-N 2 0 258.409 2.551 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000334858413 525095270 /nfs/dbraw/zinc/09/52/70/525095270.db2.gz TWWRAZMTGVFANS-IAQYHMDHSA-N 2 0 289.810 2.976 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000334864578 525266859 /nfs/dbraw/zinc/26/68/59/525266859.db2.gz QJXVOPDNNGBXKO-MFKMUULPSA-N 2 0 283.213 2.679 20 0 CFADRP Cc1ccc(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000314115564 525411144 /nfs/dbraw/zinc/41/11/44/525411144.db2.gz KBLWAEIIPYEVCG-SFHVURJKSA-N 2 0 288.435 2.758 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000366673706 525440409 /nfs/dbraw/zinc/44/04/09/525440409.db2.gz YDZUJVDAKMHWNV-BFYDXBDKSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1Cl ZINC000226205478 525452529 /nfs/dbraw/zinc/45/25/29/525452529.db2.gz HAIYFHTUVQHKGL-GFCCVEGCSA-N 2 0 270.804 2.569 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000366047416 525507744 /nfs/dbraw/zinc/50/77/44/525507744.db2.gz VBJFESDBSMGSKO-JKSUJKDBSA-N 2 0 285.435 2.638 20 0 CFADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCCOC1 ZINC000356901903 525541178 /nfs/dbraw/zinc/54/11/78/525541178.db2.gz QMMGQLXNXDZHCF-ZNMIVQPWSA-N 2 0 270.461 2.758 20 0 CFADRP C[C@@H](O)C[C@@H](C)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305155767 525811700 /nfs/dbraw/zinc/81/17/00/525811700.db2.gz VRWSQEBPVAGISA-HUUCEWRRSA-N 2 0 282.472 2.780 20 0 CFADRP CSc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000045598381 526001842 /nfs/dbraw/zinc/00/18/42/526001842.db2.gz NHJNPCWJGIBPIN-UHFFFAOYSA-N 2 0 252.427 2.840 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)c[nH]c2c1 ZINC000360945722 526125443 /nfs/dbraw/zinc/12/54/43/526125443.db2.gz FVLONTBBTPMEEY-PBHICJAKSA-N 2 0 285.435 2.949 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000334859549 526166260 /nfs/dbraw/zinc/16/62/60/526166260.db2.gz ZSOIOUGOHLGIAH-FZMZJTMJSA-N 2 0 297.240 2.845 20 0 CFADRP Fc1cc([C@H]2OCC[C@H]2[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000335040262 526309737 /nfs/dbraw/zinc/30/97/37/526309737.db2.gz DGGNAEVYCOZBGO-HUUCEWRRSA-N 2 0 298.789 2.651 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCS2 ZINC000335056177 526371904 /nfs/dbraw/zinc/37/19/04/526371904.db2.gz CPEFJZYERVDPLO-AWEZNQCLSA-N 2 0 278.396 2.872 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)nc1 ZINC000367712696 526461585 /nfs/dbraw/zinc/46/15/85/526461585.db2.gz MLNYFIKSWLDNJF-HZPDHXFCSA-N 2 0 285.435 2.720 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000309717062 526469326 /nfs/dbraw/zinc/46/93/26/526469326.db2.gz LCZRZSPTARRSCS-ZWKOTPCHSA-N 2 0 288.435 2.525 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cccnc3)C2)cc1 ZINC000076446115 526469942 /nfs/dbraw/zinc/46/99/42/526469942.db2.gz FJWUXZXSRMVXFD-GOSISDBHSA-N 2 0 281.403 2.693 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3ccncc3)C2)cc1 ZINC000076446107 526470503 /nfs/dbraw/zinc/47/05/03/526470503.db2.gz RVPKKDXFZVXMLC-GOSISDBHSA-N 2 0 281.403 2.693 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335056145 526512884 /nfs/dbraw/zinc/51/28/84/526512884.db2.gz BTVKNCIIQXQFLR-CQSZACIVSA-N 2 0 260.406 2.733 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000336053677 526585313 /nfs/dbraw/zinc/58/53/13/526585313.db2.gz BRGVTZSHRSNVMB-OLZOCXBDSA-N 2 0 250.411 2.885 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423174532 526661732 /nfs/dbraw/zinc/66/17/32/526661732.db2.gz CKCIRBKZBRISMK-UUAJXVIYSA-N 2 0 294.483 2.948 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423544316 526673044 /nfs/dbraw/zinc/67/30/44/526673044.db2.gz IOUKJZZCUMBIJZ-KHMAMNHCSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422759211 526684117 /nfs/dbraw/zinc/68/41/17/526684117.db2.gz KMQNZUWNCFINDN-LVQVYYBASA-N 2 0 282.472 2.935 20 0 CFADRP Cc1nocc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000339185776 526689392 /nfs/dbraw/zinc/68/93/92/526689392.db2.gz YSIUCQORLDJSSX-UHFFFAOYSA-N 2 0 265.401 2.585 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000334913431 526716400 /nfs/dbraw/zinc/71/64/00/526716400.db2.gz RJGLLYJYBZZZMC-CQSZACIVSA-N 2 0 279.453 2.581 20 0 CFADRP Cc1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1C ZINC000192964440 526827057 /nfs/dbraw/zinc/82/70/57/526827057.db2.gz ZODHIRYTJMBSNO-AGUYFDCRSA-N 2 0 279.453 2.517 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000422812339 527084861 /nfs/dbraw/zinc/08/48/61/527084861.db2.gz XMKWESKGYJDHIL-WOSRLPQWSA-N 2 0 289.423 2.684 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000156082689 527167731 /nfs/dbraw/zinc/16/77/31/527167731.db2.gz BQMSYAPPHJFLJW-UHFFFAOYSA-N 2 0 254.324 2.795 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000164201499 527168204 /nfs/dbraw/zinc/16/82/04/527168204.db2.gz UYVYUBAMMZDMHW-UHFFFAOYSA-N 2 0 256.752 2.650 20 0 CFADRP CC(C)([NH3+])C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423282623 527259187 /nfs/dbraw/zinc/25/91/87/527259187.db2.gz CYYJZFKYFQOPGI-UONOGXRCSA-N 2 0 262.397 2.559 20 0 CFADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000334866293 527348056 /nfs/dbraw/zinc/34/80/56/527348056.db2.gz UZVVCJMTPGWCFS-SJORKVTESA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCOc3ccc(F)cc3)C[C@H]21 ZINC000228471418 527360465 /nfs/dbraw/zinc/36/04/65/527360465.db2.gz YCAZQHALJGUTMC-IAOVAPTHSA-N 2 0 292.398 2.654 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCc3ccccc3)C[C@@H]21 ZINC000230045401 527360760 /nfs/dbraw/zinc/36/07/60/527360760.db2.gz BVNNHRCEDDJSIY-YESZJQIVSA-N 2 0 258.409 2.678 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCCOc3ccccc3)C[C@@H]12 ZINC000339406924 527368788 /nfs/dbraw/zinc/36/87/88/527368788.db2.gz HXAULFXVJFOLRU-KBAYOESNSA-N 2 0 288.435 2.905 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013887 527394821 /nfs/dbraw/zinc/39/48/21/527394821.db2.gz DAFGVNNHMQOZPR-RDJZCZTQSA-N 2 0 273.424 2.794 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc21 ZINC000334869652 527501248 /nfs/dbraw/zinc/50/12/48/527501248.db2.gz RGWXTWQWUIIYGT-DOTOQJQBSA-N 2 0 298.434 2.537 20 0 CFADRP CC(C)C1(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422924996 527614868 /nfs/dbraw/zinc/61/48/68/527614868.db2.gz ZQKMFERWZPNTLP-GDBMZVCRSA-N 2 0 260.425 2.971 20 0 CFADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423309112 527615541 /nfs/dbraw/zinc/61/55/41/527615541.db2.gz YZGRSQCEULRTJC-NHZBNJEXSA-N 2 0 288.435 2.772 20 0 CFADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423309110 527615961 /nfs/dbraw/zinc/61/59/61/527615961.db2.gz YZGRSQCEULRTJC-BWPKMQGJSA-N 2 0 288.435 2.772 20 0 CFADRP CC(C)(C)C1CC([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423130913 527629521 /nfs/dbraw/zinc/62/95/21/527629521.db2.gz HBFFCMKEGQABFJ-KDQUWOQTSA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)C1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000422890679 527645616 /nfs/dbraw/zinc/64/56/16/527645616.db2.gz ISCUHVADARVAFC-OPKDVZQQSA-N 2 0 268.445 2.543 20 0 CFADRP O[C@@H](C[NH+]1CCC([NH2+]C2CCCC2)CC1)C1CCCCC1 ZINC000365052704 527646423 /nfs/dbraw/zinc/64/64/23/527646423.db2.gz ICDRYLRWPWNAOA-SFHVURJKSA-N 2 0 294.483 2.924 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000305211980 527668235 /nfs/dbraw/zinc/66/82/35/527668235.db2.gz PSPJBNSEEVLGLA-RYQLBKOJSA-N 2 0 292.467 2.700 20 0 CFADRP CC(C)CC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422920902 527680713 /nfs/dbraw/zinc/68/07/13/527680713.db2.gz NWXLFYVXCMYQFD-BZUAXINKSA-N 2 0 282.472 2.805 20 0 CFADRP CC(C)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCCC1 ZINC000422867072 527695357 /nfs/dbraw/zinc/69/53/57/527695357.db2.gz RNMFNKVLPMPXPW-ARFHVFGLSA-N 2 0 282.472 2.935 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000414112014 527725415 /nfs/dbraw/zinc/72/54/15/527725415.db2.gz MTMWCHYENHNAEH-OAHLLOKOSA-N 2 0 292.471 2.829 20 0 CFADRP CC(C)CCOc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)cc1 ZINC000423303631 527782328 /nfs/dbraw/zinc/78/23/28/527782328.db2.gz MDYCBPUKCOGVDI-AWEZNQCLSA-N 2 0 276.424 2.982 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2cccnc2)[C@@H](C)C1 ZINC000414337015 527800090 /nfs/dbraw/zinc/80/00/90/527800090.db2.gz PPPPRKRTCIXSNZ-GOEBONIOSA-N 2 0 275.440 2.679 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422735149 527846633 /nfs/dbraw/zinc/84/66/33/527846633.db2.gz DKQGFZAEQQIMSQ-CRAIPNDOSA-N 3 0 289.467 2.616 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC000414284100 527879681 /nfs/dbraw/zinc/87/96/81/527879681.db2.gz QCGKFRYVUMIXLZ-SRVKXCTJSA-N 2 0 266.351 2.895 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C12CCCCC2 ZINC000423242284 527939688 /nfs/dbraw/zinc/93/96/88/527939688.db2.gz FFADCTAWZRYORJ-HRCADAONSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C12CCCCC2 ZINC000423515754 527953729 /nfs/dbraw/zinc/95/37/29/527953729.db2.gz SXTUQAJIVHDLSV-YHUYYLMFSA-N 2 0 280.456 2.831 20 0 CFADRP CC1(C[NH2+]Cc2cc(F)c(F)cc2F)CC[NH2+]CC1 ZINC000414913330 527981116 /nfs/dbraw/zinc/98/11/16/527981116.db2.gz WHGLEHZTXSBKFE-UHFFFAOYSA-N 2 0 272.314 2.583 20 0 CFADRP CC1(C[NH2+]CCSCc2ccccc2)CC[NH2+]CC1 ZINC000414904178 527981352 /nfs/dbraw/zinc/98/13/52/527981352.db2.gz NAVMAFUQVHZKMY-UHFFFAOYSA-N 2 0 278.465 2.899 20 0 CFADRP CC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC[NH2+]CC1 ZINC000414914742 527981668 /nfs/dbraw/zinc/98/16/68/527981668.db2.gz YCCKYJSOADUEHO-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CC1(C[NH2+]Cc2cccc(Cl)c2F)CC[NH2+]CC1 ZINC000414905831 527982666 /nfs/dbraw/zinc/98/26/66/527982666.db2.gz PACDVLMFVBGTLH-UHFFFAOYSA-N 2 0 270.779 2.958 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H](C)C[C@@H](C)[NH3+])C1CCCC1 ZINC000422817848 528050402 /nfs/dbraw/zinc/05/04/02/528050402.db2.gz DXZHPDQIAISPJY-VNHYZAJKSA-N 2 0 256.434 2.687 20 0 CFADRP CCO[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423083750 528058787 /nfs/dbraw/zinc/05/87/87/528058787.db2.gz GRVDGIXQMQOZKJ-YESZJQIVSA-N 2 0 276.424 2.871 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000423256871 528060483 /nfs/dbraw/zinc/06/04/83/528060483.db2.gz GKTFRZOQWBCIHT-RRFJBIMHSA-N 2 0 268.445 2.558 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCCC2 ZINC000422921251 528097223 /nfs/dbraw/zinc/09/72/23/528097223.db2.gz PHVGPMSARIVFEJ-OZSLIKBDSA-N 2 0 292.467 2.987 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423334749 528097423 /nfs/dbraw/zinc/09/74/23/528097423.db2.gz RDGDOIJBFSMDHQ-INIZCTEOSA-N 2 0 297.487 2.522 20 0 CFADRP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000414872414 528113336 /nfs/dbraw/zinc/11/33/36/528113336.db2.gz FZCJXPCDQPABGF-KGLIPLIRSA-N 2 0 291.439 2.712 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424378559 528129987 /nfs/dbraw/zinc/12/99/87/528129987.db2.gz TWEZCTVATYNVHS-KBUPBQIOSA-N 2 0 268.445 2.686 20 0 CFADRP CCC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422781676 528130070 /nfs/dbraw/zinc/13/00/70/528130070.db2.gz MFZFRDCLEBCJCZ-WMLDXEAASA-N 2 0 260.425 2.985 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccoc2C)C1 ZINC000414394683 528146979 /nfs/dbraw/zinc/14/69/79/528146979.db2.gz GFPXUMNYAWPQAE-MRXNPFEDSA-N 2 0 280.412 2.521 20 0 CFADRP CC(C)Oc1ccc(CC[C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422720699 528150862 /nfs/dbraw/zinc/15/08/62/528150862.db2.gz MSMAHDISTPVQGE-LSDHHAIUSA-N 2 0 290.451 2.992 20 0 CFADRP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423300622 528165235 /nfs/dbraw/zinc/16/52/35/528165235.db2.gz SBWLIZWTZNQPDN-KGLIPLIRSA-N 2 0 264.413 2.967 20 0 CFADRP CCOc1c(Cl)cc(C[NH2+]CCCC[NH3+])cc1OC ZINC000414913479 528172483 /nfs/dbraw/zinc/17/24/83/528172483.db2.gz VWJUPSVMESKJQM-UHFFFAOYSA-N 2 0 286.803 2.576 20 0 CFADRP CC(C)COc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414913421 528172601 /nfs/dbraw/zinc/17/26/01/528172601.db2.gz ZUHUQFHVTDAQQW-MRXNPFEDSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H](C)CC[NH3+])c1 ZINC000414878296 528172652 /nfs/dbraw/zinc/17/26/52/528172652.db2.gz HABBULVXPGRLPO-ZDUSSCGKSA-N 2 0 250.386 2.548 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422837985 528173150 /nfs/dbraw/zinc/17/31/50/528173150.db2.gz NJTGTXKFCLBVRC-LUKYLMHMSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000414917444 528173733 /nfs/dbraw/zinc/17/37/33/528173733.db2.gz QOLSGYSDRHZMCS-INIZCTEOSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[NH3+] ZINC000414914881 528195497 /nfs/dbraw/zinc/19/54/97/528195497.db2.gz YAHWPNREKMCGKS-AWEZNQCLSA-N 2 0 291.439 2.856 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)COC)c1 ZINC000173954792 528195865 /nfs/dbraw/zinc/19/58/65/528195865.db2.gz JBDHWVADVDBCLD-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CC23CCSCC3)CC1 ZINC000421388516 528204423 /nfs/dbraw/zinc/20/44/23/528204423.db2.gz UEEJTMDXGUHCJP-CQSZACIVSA-N 2 0 282.497 2.984 20 0 CFADRP CC(C)c1ccccc1OCC[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422959288 528204411 /nfs/dbraw/zinc/20/44/11/528204411.db2.gz RJHCMJCQVXXWAR-KBPBESRZSA-N 2 0 264.413 2.904 20 0 CFADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419888360 528209126 /nfs/dbraw/zinc/20/91/26/528209126.db2.gz FOQYNQJDZQADHF-INIZCTEOSA-N 2 0 297.487 2.582 20 0 CFADRP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301324 528210695 /nfs/dbraw/zinc/21/06/95/528210695.db2.gz HHQPMPOZRYUZQL-MSOLQXFVSA-N 2 0 288.435 2.919 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414847241 528225061 /nfs/dbraw/zinc/22/50/61/528225061.db2.gz IIKFXRLJZCCZTC-HNNXBMFYSA-N 2 0 276.424 2.953 20 0 CFADRP CC(C)Oc1ccccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414909483 528254927 /nfs/dbraw/zinc/25/49/27/528254927.db2.gz RHZBNMXRWKNKHQ-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)CC(C)C ZINC000422825139 528280399 /nfs/dbraw/zinc/28/03/99/528280399.db2.gz JBTJOBDIVHQNMG-IXDOHACOSA-N 2 0 283.504 2.721 20 0 CFADRP CCOc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OCC(C)C ZINC000414881938 528283335 /nfs/dbraw/zinc/28/33/35/528283335.db2.gz LITOKCKZBZINGV-CQSZACIVSA-N 2 0 294.439 2.947 20 0 CFADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424072607 528296013 /nfs/dbraw/zinc/29/60/13/528296013.db2.gz DFZJPSDOTNHRLT-CVEARBPZSA-N 2 0 297.487 2.554 20 0 CFADRP CC(C)c1nc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cs1 ZINC000423250327 528300649 /nfs/dbraw/zinc/30/06/49/528300649.db2.gz QDFGUZTXKZVUOT-VXGBXAGGSA-N 2 0 267.442 2.917 20 0 CFADRP CCCC[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422706815 528346748 /nfs/dbraw/zinc/34/67/48/528346748.db2.gz GALIEIZXSFNDLM-YESZJQIVSA-N 2 0 281.488 2.619 20 0 CFADRP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000414166151 528413051 /nfs/dbraw/zinc/41/30/51/528413051.db2.gz DMUVVNWNTSIZPG-JKJDWNRSSA-N 2 0 250.430 2.883 20 0 CFADRP CC(C)[C@@H](CCc1ccccc1)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423320255 528438024 /nfs/dbraw/zinc/43/80/24/528438024.db2.gz MGGBTSGDJPBYEB-IAGOWNOFSA-N 2 0 260.425 2.971 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414825807 528457340 /nfs/dbraw/zinc/45/73/40/528457340.db2.gz HTCTWVZNYIMTGI-HNNXBMFYSA-N 2 0 292.423 2.573 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000414763554 528460839 /nfs/dbraw/zinc/46/08/39/528460839.db2.gz CRXDXHBTMQEASN-GOEBONIOSA-N 2 0 252.446 2.990 20 0 CFADRP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCCCC1 ZINC000422964033 528462103 /nfs/dbraw/zinc/46/21/03/528462103.db2.gz KGBWBIALEYDMFL-UJJTZGENSA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])N1CCCCCC1 ZINC000422968950 528464111 /nfs/dbraw/zinc/46/41/11/528464111.db2.gz YEWMFHIXRUTDMG-DLBZAZTESA-N 2 0 283.504 2.994 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])c1cccnc1 ZINC000422837374 528464379 /nfs/dbraw/zinc/46/43/79/528464379.db2.gz UCSKFSAEBGHIFP-GOEBONIOSA-N 2 0 263.429 2.928 20 0 CFADRP CC(C)[C@@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000422969239 528465494 /nfs/dbraw/zinc/46/54/94/528465494.db2.gz ZHONJELJDXWQCK-ARFHVFGLSA-N 2 0 269.477 2.602 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000423103532 528466097 /nfs/dbraw/zinc/46/60/97/528466097.db2.gz LBOBSMJSXHBHFC-JSGCOSHPSA-N 2 0 282.815 2.956 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423357911 528487573 /nfs/dbraw/zinc/48/75/73/528487573.db2.gz IXVLFCSFHVAQEB-QZTJIDSGSA-N 2 0 290.451 2.960 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1C ZINC000422874506 528517554 /nfs/dbraw/zinc/51/75/54/528517554.db2.gz DAZNAQVKZLABKQ-CVEARBPZSA-N 2 0 275.440 2.538 20 0 CFADRP CCN(CC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(C)c1 ZINC000422765778 528517627 /nfs/dbraw/zinc/51/76/27/528517627.db2.gz LDVIEWAUSYUJRS-RDJZCZTQSA-N 2 0 275.440 2.538 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000414790500 528534243 /nfs/dbraw/zinc/53/42/43/528534243.db2.gz GRPWANWXSBXRTB-RISCZKNCSA-N 2 0 299.256 2.953 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)cn1 ZINC000423330924 528577359 /nfs/dbraw/zinc/57/73/59/528577359.db2.gz NXSAUBVBJYTMKV-ZDUSSCGKSA-N 2 0 264.417 2.504 20 0 CFADRP CC(C)[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000422774975 528596722 /nfs/dbraw/zinc/59/67/22/528596722.db2.gz ZFPPAOVLHOURSP-GDZNZVCISA-N 2 0 292.423 2.870 20 0 CFADRP CCCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1OC ZINC000414837953 528625974 /nfs/dbraw/zinc/62/59/74/528625974.db2.gz WPMPBICCJMAQJJ-HNNXBMFYSA-N 2 0 292.423 2.573 20 0 CFADRP CCOCCC1(C[NH2+]C2CCC(C[NH3+])CC2)CCC1 ZINC000422936046 528634299 /nfs/dbraw/zinc/63/42/99/528634299.db2.gz HUCZPUQZXLAACY-UHFFFAOYSA-N 2 0 268.445 2.690 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000423007495 528635610 /nfs/dbraw/zinc/63/56/10/528635610.db2.gz XVFNLJSFWIQHQM-OWCLPIDISA-N 2 0 280.456 2.704 20 0 CFADRP CCOCCC1(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CCCC1 ZINC000422885274 528635703 /nfs/dbraw/zinc/63/57/03/528635703.db2.gz GSFXCOWWPOOCCD-KGLIPLIRSA-N 2 0 256.434 2.689 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414846284 528654862 /nfs/dbraw/zinc/65/48/62/528654862.db2.gz DXINNEOEUPVUNR-DZGCQCFKSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)Cc1ncc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)s1 ZINC000414845354 528668758 /nfs/dbraw/zinc/66/87/58/528668758.db2.gz SMEQQVFCJKPGPH-ZDUSSCGKSA-N 2 0 281.469 2.821 20 0 CFADRP CC(C)Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000414792228 528671592 /nfs/dbraw/zinc/67/15/92/528671592.db2.gz BYMUHBRVLGQPLH-WCQYABFASA-N 2 0 267.442 2.559 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)[C@H](C)C1 ZINC000414110587 528671715 /nfs/dbraw/zinc/67/17/15/528671715.db2.gz IDDLKRIPYZHKLT-UTSKFRMZSA-N 2 0 282.472 2.758 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414920709 528688579 /nfs/dbraw/zinc/68/85/79/528688579.db2.gz YQIXGSKLZKOECD-OAHLLOKOSA-N 2 0 262.397 2.707 20 0 CFADRP CC(C)Cn1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000414815656 528710985 /nfs/dbraw/zinc/71/09/85/528710985.db2.gz XYYUNOGGRKDFGO-CQSZACIVSA-N 2 0 286.423 2.849 20 0 CFADRP CCOc1ccccc1C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414669979 528723736 /nfs/dbraw/zinc/72/37/36/528723736.db2.gz CIQCNZPUJYIOBU-CABCVRRESA-N 2 0 276.424 2.905 20 0 CFADRP CCOc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422742604 528731126 /nfs/dbraw/zinc/73/11/26/528731126.db2.gz RWUYKZDKYCQKEV-UHFFFAOYSA-N 2 0 262.397 2.692 20 0 CFADRP CCCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414855147 528757602 /nfs/dbraw/zinc/75/76/02/528757602.db2.gz VSLGTXWZZZLQBF-OAHLLOKOSA-N 2 0 276.424 2.955 20 0 CFADRP CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423157221 528762091 /nfs/dbraw/zinc/76/20/91/528762091.db2.gz UYCKTQRFWYDCEP-UGUYLWEFSA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422910798 528835594 /nfs/dbraw/zinc/83/55/94/528835594.db2.gz JIDGCVYGWNMJTR-QZTJIDSGSA-N 3 0 289.467 2.744 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000414807464 528843037 /nfs/dbraw/zinc/84/30/37/528843037.db2.gz RAQQWDUNRSXNMF-CVEARBPZSA-N 2 0 290.455 2.533 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])OC ZINC000422991486 528851584 /nfs/dbraw/zinc/85/15/84/528851584.db2.gz BGBMPKOJEPKKMN-ILXRZTDVSA-N 2 0 256.434 2.545 20 0 CFADRP CCC(CC)c1cc(C[NH2+][C@H](C)CCC[NH3+])on1 ZINC000422795016 528884802 /nfs/dbraw/zinc/88/48/02/528884802.db2.gz ZLEBXFBUFNHGJL-LLVKDONJSA-N 2 0 253.390 2.795 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1COC(C)(C)C1)C(C)C ZINC000417937711 528885940 /nfs/dbraw/zinc/88/59/40/528885940.db2.gz IQQRPEITVJTRLV-AWEZNQCLSA-N 2 0 256.434 2.652 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414812106 528948286 /nfs/dbraw/zinc/94/82/86/528948286.db2.gz QWCWMHXHJASIBX-UHFFFAOYSA-N 2 0 278.425 2.541 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000427848768 528981309 /nfs/dbraw/zinc/98/13/09/528981309.db2.gz MGZNLQQXZQXACN-LSDHHAIUSA-N 2 0 294.439 2.703 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000414188815 528987291 /nfs/dbraw/zinc/98/72/91/528987291.db2.gz JHKFGVMNZDFIKK-GDBMZVCRSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CCC1 ZINC000423411810 529004842 /nfs/dbraw/zinc/00/48/42/529004842.db2.gz VHYULRNAMDQFNW-OAHLLOKOSA-N 2 0 268.445 2.561 20 0 CFADRP CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccnc1 ZINC000423413373 529005012 /nfs/dbraw/zinc/00/50/12/529005012.db2.gz ZBBXDFXLHLMGMJ-MRXNPFEDSA-N 2 0 291.439 2.529 20 0 CFADRP CCC[C@@H]([NH2+]CCCC[NH3+])c1ccc(OC)cc1 ZINC000423325421 529006384 /nfs/dbraw/zinc/00/63/84/529006384.db2.gz IPZJVTKFCJGOED-OAHLLOKOSA-N 2 0 250.386 2.865 20 0 CFADRP CCC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C(C)(C)C ZINC000423415537 529011096 /nfs/dbraw/zinc/01/10/96/529011096.db2.gz PEKKLUWGWNPSBQ-UKRRQHHQSA-N 2 0 256.434 2.559 20 0 CFADRP CCOCc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422814077 529070573 /nfs/dbraw/zinc/07/05/73/529070573.db2.gz ZLRWDIUMVGKREW-SJPCQFCGSA-N 2 0 274.408 2.596 20 0 CFADRP CC(C)[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cn1 ZINC000423233037 529117587 /nfs/dbraw/zinc/11/75/87/529117587.db2.gz NQQARKRNCJPQBK-PIMMBPRGSA-N 2 0 265.376 2.777 20 0 CFADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cc1 ZINC000423227119 529138239 /nfs/dbraw/zinc/13/82/39/529138239.db2.gz UNMJWODDIUWANH-STQMWFEESA-N 2 0 292.427 2.604 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177295185 529148088 /nfs/dbraw/zinc/14/80/88/529148088.db2.gz XCBVNQMGUWXLJP-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422916220 529162341 /nfs/dbraw/zinc/16/23/41/529162341.db2.gz CVSMMSCRNAAQIR-SJORKVTESA-N 2 0 292.423 2.584 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422775860 529162790 /nfs/dbraw/zinc/16/27/90/529162790.db2.gz BOIJMESRGWDYID-CVEARBPZSA-N 2 0 280.387 2.715 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423220609 529175530 /nfs/dbraw/zinc/17/55/30/529175530.db2.gz YKNVMLLYWCDLGO-IUODEOHRSA-N 2 0 250.361 2.866 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(OC)c1 ZINC000425949142 529177354 /nfs/dbraw/zinc/17/73/54/529177354.db2.gz DOTPGYXNGGPOPV-XJKSGUPXSA-N 2 0 264.413 2.934 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(F)cn1 ZINC000423426382 529199445 /nfs/dbraw/zinc/19/94/45/529199445.db2.gz HRZIVIFXPRKYQY-WCQYABFASA-N 2 0 253.365 2.779 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)C(C)(C)c1ccccc1 ZINC000422785962 529205027 /nfs/dbraw/zinc/20/50/27/529205027.db2.gz PWHURNABEWJDQA-CZUORRHYSA-N 2 0 260.425 2.940 20 0 CFADRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)CCCC[NH3+])C1 ZINC000422902866 529298078 /nfs/dbraw/zinc/29/80/78/529298078.db2.gz DUSHMVGTPUHZPL-HZPDHXFCSA-N 2 0 283.504 2.994 20 0 CFADRP CC[C@](C)([NH2+]CC[C@H]1CC[NH2+]C1)c1nc(C)cs1 ZINC000420321353 529370173 /nfs/dbraw/zinc/37/01/73/529370173.db2.gz RAVCBHBCGFVUMJ-OCCSQVGLSA-N 2 0 267.442 2.666 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)CCC[NH3+])Oc1ccccc1C ZINC000422916839 529370236 /nfs/dbraw/zinc/37/02/36/529370236.db2.gz BQHGENPIAZPYHK-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000422919300 529370521 /nfs/dbraw/zinc/37/05/21/529370521.db2.gz JMWVMWNYEVPZGU-UXLLHSPISA-N 2 0 276.424 2.869 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245549860 534958465 /nfs/dbraw/zinc/95/84/65/534958465.db2.gz GXXJPJQVNNTDEV-GDBMZVCRSA-N 2 0 276.424 2.561 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000355912963 535269885 /nfs/dbraw/zinc/26/98/85/535269885.db2.gz MECLXCYGHLORDO-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459306800 535496602 /nfs/dbraw/zinc/49/66/02/535496602.db2.gz RPSNUXWINICJHW-UHFFFAOYSA-N 2 0 298.862 2.590 20 0 CFADRP CCOC(=O)CC1([NH2+]CCC[NH+]2CCCCC2)CCCC1 ZINC000434611015 535620039 /nfs/dbraw/zinc/62/00/39/535620039.db2.gz BPOXUYKBDSOVGT-UHFFFAOYSA-N 2 0 296.455 2.718 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000449744839 535671603 /nfs/dbraw/zinc/67/16/03/535671603.db2.gz KDNJVWHJRFTNMP-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CCCC[C@H]2C)CC1 ZINC000449744838 535671621 /nfs/dbraw/zinc/67/16/21/535671621.db2.gz KDNJVWHJRFTNMP-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H](C)O ZINC000449544677 535802937 /nfs/dbraw/zinc/80/29/37/535802937.db2.gz RGHKDIPWMGJXMF-NVXWUHKLSA-N 2 0 292.467 2.894 20 0 CFADRP CC[C@@H]1CC[C@H](C)[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000451957902 535824254 /nfs/dbraw/zinc/82/42/54/535824254.db2.gz VXCTXSPDWITZNQ-ZWKOTPCHSA-N 2 0 295.515 2.913 20 0 CFADRP C[NH+](C)CCCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356182877 535832273 /nfs/dbraw/zinc/83/22/73/535832273.db2.gz JEZMTYWOMWVRRA-UHFFFAOYSA-N 2 0 272.795 2.953 20 0 CFADRP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250259145 535940596 /nfs/dbraw/zinc/94/05/96/535940596.db2.gz ASZQJVPAIQONKI-SJORKVTESA-N 2 0 258.409 2.965 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000459739408 536384602 /nfs/dbraw/zinc/38/46/02/536384602.db2.gz SMMRJBYSFFTNDZ-CQSZACIVSA-N 2 0 271.408 2.989 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452056505 536389904 /nfs/dbraw/zinc/38/99/04/536389904.db2.gz WSMAHVUUNKBMHV-JSRQGNBESA-N 2 0 262.441 2.839 20 0 CFADRP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1F ZINC000435381771 536519608 /nfs/dbraw/zinc/51/96/08/536519608.db2.gz XZEDRZJJYWOCKE-XEZPLFJOSA-N 2 0 294.414 2.682 20 0 CFADRP COC1(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000449560945 536693632 /nfs/dbraw/zinc/69/36/32/536693632.db2.gz QYGCQJNPBYEDFB-AVOUXACISA-N 2 0 266.429 2.549 20 0 CFADRP Cc1ncc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000090408298 545501416 /nfs/dbraw/zinc/50/14/16/545501416.db2.gz NOLSIEVPXZCNRV-NSHDSACASA-N 2 0 267.442 2.834 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166243109 545571956 /nfs/dbraw/zinc/57/19/56/545571956.db2.gz UFSMBKVCMWQVNQ-VQHPVUNQSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000152923953 574050179 /nfs/dbraw/zinc/05/01/79/574050179.db2.gz QJGNFPDKYINENO-BBRMVZONSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000746675567 574162263 /nfs/dbraw/zinc/16/22/63/574162263.db2.gz MYWDENHCNVCYNH-OAHLLOKOSA-N 2 0 296.480 2.723 20 0 CFADRP OC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000749515105 574298849 /nfs/dbraw/zinc/29/88/49/574298849.db2.gz KWAGNRDFZVDUJF-RDJZCZTQSA-N 2 0 292.467 2.630 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCCCCCO)CC1 ZINC000750184858 574330099 /nfs/dbraw/zinc/33/00/99/574330099.db2.gz UQKCXRZNTUDMHZ-UHFFFAOYSA-N 2 0 270.461 2.593 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000396452558 574355218 /nfs/dbraw/zinc/35/52/18/574355218.db2.gz HSHAQBAKCGBOFA-RDTXWAMCSA-N 2 0 288.435 2.620 20 0 CFADRP CO[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000396469296 574355695 /nfs/dbraw/zinc/35/56/95/574355695.db2.gz WAEURJCXNKKTHP-PBHICJAKSA-N 2 0 276.424 2.694 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000894731710 619452177 /nfs/dbraw/zinc/45/21/77/619452177.db2.gz UJJFOKBKGZHEQN-WCQYABFASA-N 2 0 291.277 2.870 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000097850693 617712165 /nfs/dbraw/zinc/71/21/65/617712165.db2.gz SXLDGKABBUSYLA-OAHLLOKOSA-N 2 0 250.361 2.837 20 0 CFADRP CCn1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1 ZINC000891746760 617737025 /nfs/dbraw/zinc/73/70/25/617737025.db2.gz XPDCKLGKVONBOS-UHFFFAOYSA-N 2 0 292.471 2.764 20 0 CFADRP C[N@@H+]1C[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@]2(C)C1 ZINC000933733450 617762202 /nfs/dbraw/zinc/76/22/02/617762202.db2.gz JQRNMZSDIUFCFA-NDWYAPDHSA-N 2 0 270.420 2.973 20 0 CFADRP C[C@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000933737523 617765324 /nfs/dbraw/zinc/76/53/24/617765324.db2.gz QNOOYTRJZGUSCX-XUWVNRHRSA-N 2 0 250.430 2.696 20 0 CFADRP C[N@@H+]1C[C@@H]2CN(CCSc3ccccc3)C[C@]2(C)C1 ZINC000933740886 617766526 /nfs/dbraw/zinc/76/65/26/617766526.db2.gz OPMUVDXMEDWOKM-ZBFHGGJFSA-N 2 0 276.449 2.662 20 0 CFADRP C[C@H]([NH2+]CCOC(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926257574 617786455 /nfs/dbraw/zinc/78/64/55/617786455.db2.gz BQOCAXUWAQZPGP-NSHDSACASA-N 2 0 290.329 2.935 20 0 CFADRP CC(C)CCNC(=[NH2+])NCC1CC[NH+](CCC(C)C)CC1 ZINC000079918182 617787537 /nfs/dbraw/zinc/78/75/37/617787537.db2.gz PCGSIMSRSLGSRN-UHFFFAOYSA-N 2 0 296.503 2.695 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000306088150 617795861 /nfs/dbraw/zinc/79/58/61/617795861.db2.gz IAWDDMVLQRHBSV-UHFFFAOYSA-N 2 0 260.303 2.922 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)(C)CO ZINC000926326633 617902448 /nfs/dbraw/zinc/90/24/48/617902448.db2.gz RYYYTVVCTMRLTP-WBVHZDCISA-N 2 0 290.451 2.505 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(F)cc2C)C[C@H]1C ZINC000892102022 617949980 /nfs/dbraw/zinc/94/99/80/617949980.db2.gz CAJVQUAIJZITHV-UKRRQHHQSA-N 2 0 279.403 2.834 20 0 CFADRP c1csc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000104261328 617953910 /nfs/dbraw/zinc/95/39/10/617953910.db2.gz SFQJNVBSMUXMIJ-OAHLLOKOSA-N 2 0 264.438 2.755 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CC2(CCCOC)CCC2)C1 ZINC000892144147 617972128 /nfs/dbraw/zinc/97/21/28/617972128.db2.gz LGYLUERQFXBXHP-MRXNPFEDSA-N 2 0 282.472 2.857 20 0 CFADRP CCCOc1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000051694503 618048903 /nfs/dbraw/zinc/04/89/03/618048903.db2.gz AZGWNUFVFFQOTD-UHFFFAOYSA-N 2 0 262.397 2.835 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c(F)c1 ZINC000051694234 618048959 /nfs/dbraw/zinc/04/89/59/618048959.db2.gz CMWKTQFZJNJJDC-UNXYVOJBSA-N 2 0 266.360 2.755 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245436 618102331 /nfs/dbraw/zinc/10/23/31/618102331.db2.gz YCYGEVRXDAPDEN-WDEREUQCSA-N 2 0 270.323 2.630 20 0 CFADRP C[C@@H](C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000262034574 618155104 /nfs/dbraw/zinc/15/51/04/618155104.db2.gz OLGVOCRGVVUDEG-HNNXBMFYSA-N 2 0 258.409 2.866 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CCCCC[NH+]3CCCC3)C2)CO1 ZINC000926487677 618155909 /nfs/dbraw/zinc/15/59/09/618155909.db2.gz OMCMSLNTCRVSCC-KLAILNCOSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]CC1=CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000926507001 618164548 /nfs/dbraw/zinc/16/45/48/618164548.db2.gz VECJLEFLEJKOEN-CQSZACIVSA-N 2 0 274.408 2.746 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000247987037 618192368 /nfs/dbraw/zinc/19/23/68/618192368.db2.gz IXSKDESDYBKBDY-NIKGAXFTSA-N 2 0 298.430 2.946 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000251172198 618209863 /nfs/dbraw/zinc/20/98/63/618209863.db2.gz FGLIUTWCRDGMCF-LTIDMASMSA-N 2 0 279.472 2.514 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCc2nccs2)C1 ZINC000925570150 618251446 /nfs/dbraw/zinc/25/14/46/618251446.db2.gz VXDNVTCTGMIEFE-RYUDHWBXSA-N 2 0 267.442 2.571 20 0 CFADRP CCCCCC[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186590402 618260699 /nfs/dbraw/zinc/26/06/99/618260699.db2.gz WGNMJCJUOVTNEA-IAGOWNOFSA-N 2 0 283.504 2.961 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000925587172 618273438 /nfs/dbraw/zinc/27/34/38/618273438.db2.gz GPOZMIWGBWOQHP-VVLHAWIVSA-N 2 0 282.472 2.615 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893304401 618287812 /nfs/dbraw/zinc/28/78/12/618287812.db2.gz NBUQMUFDAZEALL-GUYCJALGSA-N 2 0 294.414 2.833 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)Oc1ccccc1 ZINC000925604390 618292859 /nfs/dbraw/zinc/29/28/59/618292859.db2.gz YCGYNCCRYWXUKA-KFWWJZLASA-N 2 0 276.424 2.950 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(CC2=CCCOC2)c2ccccn2)CC1 ZINC000895111991 618311853 /nfs/dbraw/zinc/31/18/53/618311853.db2.gz RRJSXBCJDPTZQB-WKILWMFISA-N 2 0 287.407 2.505 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCO1 ZINC000925613224 618313777 /nfs/dbraw/zinc/31/37/77/618313777.db2.gz BERQDVXOVCJDJT-OWSLCNJRSA-N 2 0 294.483 2.948 20 0 CFADRP OCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515800 618315763 /nfs/dbraw/zinc/31/57/63/618315763.db2.gz XBDVCXLYBMUSOF-FUHWJXTLSA-N 2 0 294.483 2.878 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCOC2)C12CCC2 ZINC000925616324 618322188 /nfs/dbraw/zinc/32/21/88/618322188.db2.gz QXUSSGPFQUNUIR-VVLHAWIVSA-N 2 0 286.419 2.624 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccncc1)c1ccccc1 ZINC000925617970 618329433 /nfs/dbraw/zinc/32/94/33/618329433.db2.gz YODLGWQACSCRIT-QGZVFWFLSA-N 2 0 269.392 2.694 20 0 CFADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000261705739 618340191 /nfs/dbraw/zinc/34/01/91/618340191.db2.gz DAWUTHNCBYVEFM-ZIAGYGMSSA-N 2 0 289.423 2.737 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925624426 618345322 /nfs/dbraw/zinc/34/53/22/618345322.db2.gz XKDXCWZOVHXVEY-JKSUJKDBSA-N 2 0 282.472 2.543 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCC2Cc3ccccc3C2)C12CCC2 ZINC000925626857 618348792 /nfs/dbraw/zinc/34/87/92/618348792.db2.gz UBVRGUORUPRWSG-SJORKVTESA-N 2 0 270.420 2.651 20 0 CFADRP C[C@@H]([NH2+]CCCn1ccnc1)c1cnn(C2CCC2)c1 ZINC000924535264 618349869 /nfs/dbraw/zinc/34/98/69/618349869.db2.gz WGCBNEFENQQOKY-CYBMUJFWSA-N 2 0 273.384 2.546 20 0 CFADRP CCc1nn(C)c(CC)c1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925625862 618350575 /nfs/dbraw/zinc/35/05/75/618350575.db2.gz MBGDVRKUBJZDEN-STQMWFEESA-N 2 0 292.471 2.541 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000892479754 618351698 /nfs/dbraw/zinc/35/16/98/618351698.db2.gz NJQYWAIFWCDCHZ-CYBMUJFWSA-N 2 0 258.475 2.981 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925627956 618353663 /nfs/dbraw/zinc/35/36/63/618353663.db2.gz CFPQOACIFVQQCV-PBHICJAKSA-N 2 0 288.435 2.748 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C[C@H](C)O1 ZINC000925629884 618356598 /nfs/dbraw/zinc/35/65/98/618356598.db2.gz MHDIGIIKJMRQKN-QMPXSYISSA-N 2 0 280.456 2.700 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000261712612 618358535 /nfs/dbraw/zinc/35/85/35/618358535.db2.gz JMZRJMNUSBPJSL-ZJIFWQFVSA-N 2 0 294.464 2.682 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925636105 618368988 /nfs/dbraw/zinc/36/89/88/618368988.db2.gz QOUUJEDWCQHFAX-RBSFLKMASA-N 2 0 282.472 2.671 20 0 CFADRP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925636104 618369496 /nfs/dbraw/zinc/36/94/96/618369496.db2.gz QOUUJEDWCQHFAX-QLFBSQMISA-N 2 0 282.472 2.671 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)C(C)(C)C ZINC000925637161 618370003 /nfs/dbraw/zinc/37/00/03/618370003.db2.gz IJMUGKPNKNJDRJ-VXGBXAGGSA-N 2 0 256.459 2.638 20 0 CFADRP C(COCC1CCC1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925638210 618372243 /nfs/dbraw/zinc/37/22/43/618372243.db2.gz BOQGBOXZCBWHTC-IAGOWNOFSA-N 2 0 280.456 2.561 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)CC1 ZINC000895148301 618388418 /nfs/dbraw/zinc/38/84/18/618388418.db2.gz SDUTWCIWXLVIQC-STQMWFEESA-N 2 0 262.800 2.623 20 0 CFADRP C[C@@H](CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000925648179 618393789 /nfs/dbraw/zinc/39/37/89/618393789.db2.gz PXHXHXAWYJPXBX-YVSFHVDLSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nccs1 ZINC000925648314 618395865 /nfs/dbraw/zinc/39/58/65/618395865.db2.gz SSTQGGYIHCIJSC-WOPDTQHZSA-N 2 0 267.442 2.742 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](O)c1ccccc1 ZINC000925654972 618411420 /nfs/dbraw/zinc/41/14/20/618411420.db2.gz SVGRSFLJCSJOFD-YVSFHVDLSA-N 2 0 288.435 2.604 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc[nH]3)cc2)C1 ZINC000894174980 618426850 /nfs/dbraw/zinc/42/68/50/618426850.db2.gz ACKDIDFUVKTZBY-OAHLLOKOSA-N 2 0 298.434 2.931 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1COCC1(C)C ZINC000894179508 618429433 /nfs/dbraw/zinc/42/94/33/618429433.db2.gz DPJUSFUMMUDJRB-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925668461 618434686 /nfs/dbraw/zinc/43/46/86/618434686.db2.gz HSGQCYUGQCBZST-ZNMIVQPWSA-N 2 0 269.477 2.602 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCc2ccco2)CC1 ZINC000924554268 618434760 /nfs/dbraw/zinc/43/47/60/618434760.db2.gz JQMJCFGNFFCBJS-UHFFFAOYSA-N 2 0 264.413 2.922 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925670381 618437978 /nfs/dbraw/zinc/43/79/78/618437978.db2.gz JJGFFTJPXUEVSI-ROUUACIJSA-N 2 0 289.467 2.931 20 0 CFADRP CC(C)[NH+](CCN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(C)C ZINC000924555726 618439231 /nfs/dbraw/zinc/43/92/31/618439231.db2.gz IVLYMIGIKQXRTC-SJORKVTESA-N 2 0 281.488 2.712 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925674884 618445598 /nfs/dbraw/zinc/44/55/98/618445598.db2.gz DUVUJRRHBVWUNL-RRFJBIMHSA-N 2 0 269.477 2.602 20 0 CFADRP COCC1(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCC1 ZINC000925678858 618457319 /nfs/dbraw/zinc/45/73/19/618457319.db2.gz XPCGEOQSMRPNRV-SJORKVTESA-N 2 0 294.483 2.951 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCC1 ZINC000925678715 618457479 /nfs/dbraw/zinc/45/74/79/618457479.db2.gz WXOWVMIJYLEEMY-ZIAGYGMSSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1cccnc1CCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925682565 618465401 /nfs/dbraw/zinc/46/54/01/618465401.db2.gz CSSYQYCPKBMVNV-CABCVRRESA-N 2 0 275.440 2.818 20 0 CFADRP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924561046 618465638 /nfs/dbraw/zinc/46/56/38/618465638.db2.gz SVCVDPXPLJBSSD-YJBOKZPZSA-N 2 0 289.467 2.883 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NC2CCCC2)C1 ZINC000066244612 618471473 /nfs/dbraw/zinc/47/14/73/618471473.db2.gz PNXSOIPNKKNFOU-KBPBESRZSA-N 2 0 294.487 2.799 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)C2)c1 ZINC000925684486 618472368 /nfs/dbraw/zinc/47/23/68/618472368.db2.gz AMKDTVNCZGTDSW-SRABZTEZSA-N 2 0 286.419 2.801 20 0 CFADRP COCCCC1(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CCC1 ZINC000895208367 618472963 /nfs/dbraw/zinc/47/29/63/618472963.db2.gz JUJUBIRGBHFMPR-GASCZTMLSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc(C[NH+](C)C)c1 ZINC000926715455 618474769 /nfs/dbraw/zinc/47/47/69/618474769.db2.gz TXYVMBXLKGCIBS-JQFCIGGWSA-N 2 0 288.435 2.702 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H](C)[NH+](C)C)c1cc(F)cc(F)c1 ZINC000895291686 618511898 /nfs/dbraw/zinc/51/18/98/618511898.db2.gz AXLLTZNSVRDBJY-NWDGAFQWSA-N 2 0 270.367 2.998 20 0 CFADRP C[C@@H](C[NH2+]CC[C@@H](C)[NH+](C)C)c1ccc(F)cc1 ZINC000895292456 618514716 /nfs/dbraw/zinc/51/47/16/618514716.db2.gz BYBJZRLIYDNGAV-QWHCGFSZSA-N 2 0 252.377 2.859 20 0 CFADRP C[C@H](CC[NH2+]C1CCC2(CCOCC2)CC1)[NH+](C)C ZINC000895297157 618518621 /nfs/dbraw/zinc/51/86/21/618518621.db2.gz TWJCPHQMLLYVNO-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895296589 618518686 /nfs/dbraw/zinc/51/86/86/618518686.db2.gz PUYPSNPLPUUYDY-PBHICJAKSA-N 2 0 296.430 2.703 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1CCC[C@H]1CCO1 ZINC000895376400 618555763 /nfs/dbraw/zinc/55/57/63/618555763.db2.gz BODUNWLXVZHISL-PMPSAXMXSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C)C[NH+](C)C)n1 ZINC000895375858 618558608 /nfs/dbraw/zinc/55/86/08/618558608.db2.gz FCZMEKKOJQIWAX-CZUORRHYSA-N 2 0 291.439 2.648 20 0 CFADRP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000895381997 618560537 /nfs/dbraw/zinc/56/05/37/618560537.db2.gz YSQMMDRBKRVAEP-PMPSAXMXSA-N 2 0 266.429 2.731 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1(C)C ZINC000895429823 618577734 /nfs/dbraw/zinc/57/77/34/618577734.db2.gz VYTVGPQCXQCORP-MGPQQGTHSA-N 2 0 256.434 2.508 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)C1(C)C ZINC000895429820 618577845 /nfs/dbraw/zinc/57/78/45/618577845.db2.gz VYTVGPQCXQCORP-BFHYXJOUSA-N 2 0 256.434 2.508 20 0 CFADRP CC(C)[C@H](O)[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000895436907 618584646 /nfs/dbraw/zinc/58/46/46/618584646.db2.gz FLBHZHVDDVPEPB-MSOLQXFVSA-N 2 0 290.451 2.676 20 0 CFADRP Cc1coc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1 ZINC000895439840 618587175 /nfs/dbraw/zinc/58/71/75/618587175.db2.gz IOTUIUWZAYHVJR-UHFFFAOYSA-N 2 0 262.397 2.896 20 0 CFADRP Cc1ccnc(N)c1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000895446823 618590713 /nfs/dbraw/zinc/59/07/13/618590713.db2.gz SVSAUUYJTASGPI-UHFFFAOYSA-N 2 0 290.455 2.572 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccns1 ZINC000926730815 618612302 /nfs/dbraw/zinc/61/23/02/618612302.db2.gz CJFJXFCWZOMOGT-LBPRGKRZSA-N 2 0 279.453 2.916 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926734785 618617555 /nfs/dbraw/zinc/61/75/55/618617555.db2.gz ARFNLANLSIXAFH-RWMBFGLXSA-N 2 0 258.356 2.638 20 0 CFADRP CC[C@@H](C[NH+]1CCCC1)Nc1cc(N)[nH+]cc1Cl ZINC000892559550 618633456 /nfs/dbraw/zinc/63/34/56/618633456.db2.gz OFBDOUYCYRXMRE-JTQLQIEISA-N 2 0 268.792 2.604 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000926753846 618636026 /nfs/dbraw/zinc/63/60/26/618636026.db2.gz KNGREMUPRSDBHO-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP CCn1cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000892585303 618643162 /nfs/dbraw/zinc/64/31/62/618643162.db2.gz UEZUYWAWWPKGHK-OAHLLOKOSA-N 2 0 292.471 2.956 20 0 CFADRP CCN(CC[NH2+]CC1CC[NH+](C)CC1)c1ccccc1C ZINC000892586770 618643734 /nfs/dbraw/zinc/64/37/34/618643734.db2.gz OOQFGGWSBQMVTF-UHFFFAOYSA-N 2 0 289.467 2.753 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000926769019 618654862 /nfs/dbraw/zinc/65/48/62/618654862.db2.gz YGDVUBOUDCDLFD-IAGOWNOFSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]CCc2ccc(C)c(C)c2)C1 ZINC000892614797 618655416 /nfs/dbraw/zinc/65/54/16/618655416.db2.gz UWQDIRFEONMPQG-KRWDZBQOSA-N 2 0 260.425 2.777 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924579597 618658869 /nfs/dbraw/zinc/65/88/69/618658869.db2.gz YSGWJWMBODPNCI-IRXDYDNUSA-N 2 0 282.472 2.783 20 0 CFADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924579592 618659033 /nfs/dbraw/zinc/65/90/33/618659033.db2.gz YSGWJWMBODPNCI-DLBZAZTESA-N 2 0 282.472 2.783 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000926783867 618680307 /nfs/dbraw/zinc/68/03/07/618680307.db2.gz CAHVOAXWDSPBOH-XWJBARJFSA-N 2 0 292.467 2.510 20 0 CFADRP CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926816822 618712311 /nfs/dbraw/zinc/71/23/11/618712311.db2.gz PCVBVZAJKXMALX-GRDNDAEWSA-N 2 0 278.440 2.948 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)Cn2ccnc2)c2c(n1)CCCC2 ZINC000892710689 618725371 /nfs/dbraw/zinc/72/53/71/618725371.db2.gz DFVGYCBQEINFFH-AWEZNQCLSA-N 2 0 298.434 2.891 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000892744030 618738440 /nfs/dbraw/zinc/73/84/40/618738440.db2.gz ZFKAMKGMBVSZOZ-CQSZACIVSA-N 2 0 282.378 2.829 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc(-c3ccccc3)on2)CC1 ZINC000892787583 618746376 /nfs/dbraw/zinc/74/63/76/618746376.db2.gz RRXJEPWNTRSHMJ-UHFFFAOYSA-N 2 0 285.391 2.773 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc[nH]c(=O)c1 ZINC000924607435 618761023 /nfs/dbraw/zinc/76/10/23/618761023.db2.gz JVOFFNXZWAZSGS-ZDUSSCGKSA-N 2 0 285.391 2.700 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504963 618833002 /nfs/dbraw/zinc/83/30/02/618833002.db2.gz OUZQWGKSHCBSBZ-ZNMIVQPWSA-N 3 0 283.504 2.848 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000925507091 618836428 /nfs/dbraw/zinc/83/64/28/618836428.db2.gz ZQFOJIHCJPQHPB-UONOGXRCSA-N 2 0 262.397 2.561 20 0 CFADRP C[C@H](CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000925511822 618851274 /nfs/dbraw/zinc/85/12/74/618851274.db2.gz VCDVFYLAOPFJLX-PMPSAXMXSA-N 2 0 281.488 2.602 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000925515985 618854267 /nfs/dbraw/zinc/85/42/67/618854267.db2.gz BGDVJTPZJCUFRR-MAUKXSAKSA-N 2 0 287.451 2.513 20 0 CFADRP C[C@H](OCCC[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925520731 618859072 /nfs/dbraw/zinc/85/90/72/618859072.db2.gz SLKKWKRDCMPKKL-GOEBONIOSA-N 2 0 276.424 2.884 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CC[NH2+]C3(C)C)c[nH]c21 ZINC000925523606 618864469 /nfs/dbraw/zinc/86/44/69/618864469.db2.gz ULNQYDUUOBQNET-HNNXBMFYSA-N 2 0 271.408 2.749 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000925526795 618873228 /nfs/dbraw/zinc/87/32/28/618873228.db2.gz OTBRNYUAJOIYKO-UONOGXRCSA-N 2 0 250.361 2.821 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCCC[C@H]1O ZINC000925532215 618885047 /nfs/dbraw/zinc/88/50/47/618885047.db2.gz VHTFVJPUZPVUFT-BRSBDYLESA-N 2 0 294.483 2.686 20 0 CFADRP Cc1nc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cs1 ZINC000925534946 618887807 /nfs/dbraw/zinc/88/78/07/618887807.db2.gz ALBUQEUJSRPDNB-HOTGVXAUSA-N 2 0 293.480 2.752 20 0 CFADRP CC(C)C[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])[NH+](C)C ZINC000925535096 618888124 /nfs/dbraw/zinc/88/81/24/618888124.db2.gz BRMJOHKAEWSKCN-USXIJHARSA-N 2 0 277.456 2.641 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccccc1 ZINC000925539644 618897522 /nfs/dbraw/zinc/89/75/22/618897522.db2.gz CIZKUCZVQZATFF-HUUCEWRRSA-N 2 0 296.505 2.905 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925540981 618898920 /nfs/dbraw/zinc/89/89/20/618898920.db2.gz GLSQEURRLMCOGP-KRWDZBQOSA-N 3 0 293.499 2.619 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccncc1 ZINC000925541139 618899972 /nfs/dbraw/zinc/89/99/72/618899972.db2.gz HNOAJURUEIKDHA-SNPRPXQTSA-N 2 0 261.413 2.681 20 0 CFADRP C[C@H]([NH3+])[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000925542720 618902908 /nfs/dbraw/zinc/90/29/08/618902908.db2.gz OMEUBDUNFSUEQO-SVGFKBNWSA-N 2 0 275.440 2.537 20 0 CFADRP CCS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925543099 618903266 /nfs/dbraw/zinc/90/32/66/618903266.db2.gz QKKAWISPLKYWMM-MCIONIFRSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@H](CN[C@@H](c1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000925549320 618911572 /nfs/dbraw/zinc/91/15/72/618911572.db2.gz XTAVNILOBRULLM-XLMAVXFVSA-N 2 0 289.467 2.785 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCS1 ZINC000925550474 618911921 /nfs/dbraw/zinc/91/19/21/618911921.db2.gz AAPDTAWYSPEKJI-BZPMIXESSA-N 2 0 256.459 2.768 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925551130 618912133 /nfs/dbraw/zinc/91/21/33/618912133.db2.gz QMZBPJYFKLHIDS-HZPDHXFCSA-N 2 0 274.408 2.623 20 0 CFADRP C[C@H]1CCCN(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925550995 618912143 /nfs/dbraw/zinc/91/21/43/618912143.db2.gz OVVULHXVCMBYDK-WMZOPIPTSA-N 2 0 289.467 2.788 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925553192 618915819 /nfs/dbraw/zinc/91/58/19/618915819.db2.gz OKKVKXWAYDRJBB-IRXDYDNUSA-N 3 0 295.515 2.994 20 0 CFADRP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893267812 618918067 /nfs/dbraw/zinc/91/80/67/618918067.db2.gz NYZXMBTZGOVFMY-SUMWQHHRSA-N 2 0 294.414 2.569 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCC1 ZINC000925554929 618918683 /nfs/dbraw/zinc/91/86/83/618918683.db2.gz FHBXSLPSKQOASI-VIQHNZTISA-N 2 0 292.467 2.559 20 0 CFADRP CO[C@H]1CCC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000309996018 618929173 /nfs/dbraw/zinc/92/91/73/618929173.db2.gz BSTQWEFFVPWVKC-SJORKVTESA-N 2 0 276.424 2.666 20 0 CFADRP C(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)C[C@H]1CCOC1 ZINC000925687350 618931049 /nfs/dbraw/zinc/93/10/49/618931049.db2.gz JGGRMRPBYRMKHM-USXIJHARSA-N 2 0 280.456 2.561 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000925687947 618931730 /nfs/dbraw/zinc/93/17/30/618931730.db2.gz NERDDPZXEBGYBE-GVDBMIGSSA-N 2 0 276.424 2.607 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1ccccc1 ZINC000925689778 618932521 /nfs/dbraw/zinc/93/25/21/618932521.db2.gz ILTJSWJSBYOBBY-XIRDDKMYSA-N 2 0 276.424 2.607 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H]2CCC=CO2)ccc1F ZINC000194455977 618935530 /nfs/dbraw/zinc/93/55/30/618935530.db2.gz ZQLWAZIYZZSQJY-OAHLLOKOSA-N 2 0 278.371 2.670 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925692283 618937072 /nfs/dbraw/zinc/93/70/72/618937072.db2.gz JNMXLOFAEVSEMD-OWCLPIDISA-N 2 0 262.397 2.624 20 0 CFADRP N[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000925693115 618938585 /nfs/dbraw/zinc/93/85/85/618938585.db2.gz OLLYHOGXOWRLOA-ROUUACIJSA-N 2 0 283.419 2.756 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1(Cl)Cl ZINC000925695106 618943202 /nfs/dbraw/zinc/94/32/02/618943202.db2.gz WUMGSNXHGZRVLB-ONGXEEELSA-N 2 0 265.228 2.691 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925698731 618951987 /nfs/dbraw/zinc/95/19/87/618951987.db2.gz LYPMJISHAYEYDE-MRXNPFEDSA-N 2 0 279.472 2.563 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000925698791 618952325 /nfs/dbraw/zinc/95/23/25/618952325.db2.gz HFTGZUHUBNIGEW-BQFCYCMXSA-N 3 0 289.467 2.821 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925701321 618954660 /nfs/dbraw/zinc/95/46/60/618954660.db2.gz XQAKXBNTBXDNKW-AHCXZYCDSA-N 3 0 293.499 2.509 20 0 CFADRP C[NH2+]Cc1ccccc1CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925702362 618955323 /nfs/dbraw/zinc/95/53/23/618955323.db2.gz OIRGCYCASIFHKH-RDTXWAMCSA-N 2 0 283.419 2.584 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925704001 618958297 /nfs/dbraw/zinc/95/82/97/618958297.db2.gz GJIMEGQPPLJCFM-RBSFLKMASA-N 2 0 268.445 2.687 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1(F)F ZINC000925707679 618962070 /nfs/dbraw/zinc/96/20/70/618962070.db2.gz QFMLZJFZHXHLHX-VWYCJHECSA-N 2 0 260.372 2.773 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C)[NH2+]2 ZINC000925710498 618964303 /nfs/dbraw/zinc/96/43/03/618964303.db2.gz LDQKZTBCINSLMW-YXJLRHLOSA-N 2 0 250.430 2.930 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925713853 618968068 /nfs/dbraw/zinc/96/80/68/618968068.db2.gz VHCWNMNUCIUCLV-FZKCQIBNSA-N 2 0 256.393 2.710 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000925721911 618981539 /nfs/dbraw/zinc/98/15/39/618981539.db2.gz IACYTWJJMKXNHQ-NWDGAFQWSA-N 2 0 268.351 2.960 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000893427140 618987913 /nfs/dbraw/zinc/98/79/13/618987913.db2.gz GJBGKTSXMGZJKI-UHFFFAOYSA-N 2 0 262.372 2.526 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)C1 ZINC000925723586 618992822 /nfs/dbraw/zinc/99/28/22/618992822.db2.gz RKSZHTSGHRZJHA-ZACQAIPSSA-N 2 0 288.435 2.624 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC000925724984 619003444 /nfs/dbraw/zinc/00/34/44/619003444.db2.gz OWWNDEPMBHOXEW-JHJVBQTASA-N 2 0 256.459 2.625 20 0 CFADRP c1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093489769 619030553 /nfs/dbraw/zinc/03/05/53/619030553.db2.gz HQIMLSFYYJUQEA-IXDOHACOSA-N 2 0 273.424 2.525 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(Nc2ccccc2)C1 ZINC000925731821 619038267 /nfs/dbraw/zinc/03/82/67/619038267.db2.gz MYRCXFUVHBIESX-BODUAWRXSA-N 2 0 285.435 2.735 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000925734010 619043976 /nfs/dbraw/zinc/04/39/76/619043976.db2.gz ZEUCSAZYFGGQSJ-XIRDDKMYSA-N 2 0 290.451 2.740 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925736791 619046326 /nfs/dbraw/zinc/04/63/26/619046326.db2.gz CFIKUXGNLJKBPK-GFCCVEGCSA-N 2 0 266.360 2.539 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925741446 619051223 /nfs/dbraw/zinc/05/12/23/619051223.db2.gz RCRGLMIGICNZLZ-GFCCVEGCSA-N 2 0 250.386 2.863 20 0 CFADRP [NH3+]Cc1nc2c(s1)CCN([C@H]1CC[C@@H]1C1CCC1)C2 ZINC000925752075 619055339 /nfs/dbraw/zinc/05/53/39/619055339.db2.gz SCMOJJGVSHTVAQ-YPMHNXCESA-N 2 0 277.437 2.539 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000925772973 619088675 /nfs/dbraw/zinc/08/86/75/619088675.db2.gz LLFIEUWPOSKUKV-CIOHAFIYSA-N 2 0 273.424 2.791 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775967 619095618 /nfs/dbraw/zinc/09/56/18/619095618.db2.gz ISVXLACAWFCWEI-JHJVBQTASA-N 2 0 260.372 2.790 20 0 CFADRP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775966 619095834 /nfs/dbraw/zinc/09/58/34/619095834.db2.gz ISVXLACAWFCWEI-FRRDWIJNSA-N 2 0 260.372 2.790 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777268 619098645 /nfs/dbraw/zinc/09/86/45/619098645.db2.gz CXYCLACBTUOWHO-WDEREUQCSA-N 2 0 274.380 2.514 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000893620133 619103634 /nfs/dbraw/zinc/10/36/34/619103634.db2.gz GRNWKVNNIRGFBF-MSOLQXFVSA-N 2 0 288.435 2.838 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000094368452 619105609 /nfs/dbraw/zinc/10/56/09/619105609.db2.gz FNKCLSCKQZOZRR-JKSUJKDBSA-N 2 0 292.467 2.942 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cccc(Br)c1 ZINC000925788931 619113652 /nfs/dbraw/zinc/11/36/52/619113652.db2.gz DKVLOPYVURLFFX-MDZLAQPJSA-N 2 0 297.240 2.955 20 0 CFADRP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925793311 619117516 /nfs/dbraw/zinc/11/75/16/619117516.db2.gz XWSCDBALBAWZGI-YCPHGPKFSA-N 2 0 276.424 2.980 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000925795051 619118382 /nfs/dbraw/zinc/11/83/82/619118382.db2.gz GFOPAKTVVANRHT-XJKCOSOUSA-N 2 0 292.398 2.875 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1N(C)C ZINC000925796603 619119209 /nfs/dbraw/zinc/11/92/09/619119209.db2.gz KWEBLWVKANBQPV-RBSFLKMASA-N 2 0 275.440 2.649 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000925804295 619124519 /nfs/dbraw/zinc/12/45/19/619124519.db2.gz GKLMIRBPMAMKQO-BBIGNCBKSA-N 2 0 262.441 2.918 20 0 CFADRP CCCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccccc1 ZINC000925808721 619127743 /nfs/dbraw/zinc/12/77/43/619127743.db2.gz DSWKJHDEHSBDIM-GOSISDBHSA-N 2 0 289.467 2.931 20 0 CFADRP CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C1CCCCC1 ZINC000925809957 619128707 /nfs/dbraw/zinc/12/87/07/619128707.db2.gz LPJAFFCWXXVJFO-QGZVFWFLSA-N 2 0 281.488 2.748 20 0 CFADRP CN(C)c1ccnc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925814504 619133243 /nfs/dbraw/zinc/13/32/43/619133243.db2.gz MJPXJQBOSXBUJR-SFHVURJKSA-N 2 0 298.434 2.717 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(F)c1 ZINC000925815949 619134819 /nfs/dbraw/zinc/13/48/19/619134819.db2.gz UXJAHVMOJRWBFK-LLVKDONJSA-N 2 0 299.821 2.553 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925816708 619135982 /nfs/dbraw/zinc/13/59/82/619135982.db2.gz JFOIEFFWUZMCEW-CQSZACIVSA-N 2 0 292.471 2.939 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(F)c1 ZINC000925824595 619146067 /nfs/dbraw/zinc/14/60/67/619146067.db2.gz ZFKWERPMGFSENK-VYDXJSESSA-N 2 0 294.414 2.529 20 0 CFADRP C[C@@H]([NH2+]CC1(c2cccc(F)c2)CCC1)[C@H]1CC[NH2+]C1 ZINC000925829663 619160763 /nfs/dbraw/zinc/16/07/63/619160763.db2.gz DCHYXUFHCZBIPJ-KGLIPLIRSA-N 2 0 276.399 2.835 20 0 CFADRP C[C@H]([NH2+]CC1(c2cccc(F)c2)CCC1)[C@H]1CC[NH2+]C1 ZINC000925829660 619160803 /nfs/dbraw/zinc/16/08/03/619160803.db2.gz DCHYXUFHCZBIPJ-KBPBESRZSA-N 2 0 276.399 2.835 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cnc2ccccc2c1 ZINC000925834775 619166385 /nfs/dbraw/zinc/16/63/85/619166385.db2.gz YQWNKNIDEVXXKD-AWEZNQCLSA-N 2 0 271.408 2.884 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000261539061 619169927 /nfs/dbraw/zinc/16/99/27/619169927.db2.gz BLGGINALYNWQHW-LTDKPHRXSA-N 2 0 287.451 2.509 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)o1 ZINC000925839981 619173635 /nfs/dbraw/zinc/17/36/35/619173635.db2.gz UHQGAJTWYAKSOL-LSDHHAIUSA-N 2 0 285.391 2.538 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000261590794 619173768 /nfs/dbraw/zinc/17/37/68/619173768.db2.gz LMARJORYEPIEBN-BFHYXJOUSA-N 2 0 279.453 2.770 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)OCO2 ZINC000925842363 619174993 /nfs/dbraw/zinc/17/49/93/619174993.db2.gz MHIMFMSWFXZTIR-CSMYWGQOSA-N 2 0 288.391 2.598 20 0 CFADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccsc1 ZINC000925842357 619175216 /nfs/dbraw/zinc/17/52/16/619175216.db2.gz JEYVAGPTMKVXKY-MRVWCRGKSA-N 2 0 250.411 2.931 20 0 CFADRP C(CC[NH2+][C@H]1CCCC[C@H]1C1CC1)CCN1CC[NH2+]CC1 ZINC000925844696 619176645 /nfs/dbraw/zinc/17/66/45/619176645.db2.gz LOPIMAVGKQARCZ-ROUUACIJSA-N 2 0 293.499 2.620 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261647752 619185822 /nfs/dbraw/zinc/18/58/22/619185822.db2.gz XWRUOTSYYSXKEE-MRXNPFEDSA-N 2 0 262.397 2.645 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000925861683 619187356 /nfs/dbraw/zinc/18/73/56/619187356.db2.gz RUFOVVOQAKYLQP-MGPQQGTHSA-N 2 0 268.470 2.925 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCC(C)([NH+]3CCC3)CC1)[NH2+]2 ZINC000925862029 619188412 /nfs/dbraw/zinc/18/84/12/619188412.db2.gz VZRKCSVCNUBIAL-PSDLTNOISA-N 3 0 291.483 2.512 20 0 CFADRP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925871962 619193157 /nfs/dbraw/zinc/19/31/57/619193157.db2.gz MLYFGIBLYNSSNY-HZMVEIRTSA-N 2 0 285.435 2.969 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCCc3cccnc31)[NH2+]2 ZINC000925872018 619193210 /nfs/dbraw/zinc/19/32/10/619193210.db2.gz NITVUACYLRJGJA-ZIRHEVKLSA-N 2 0 271.408 2.578 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000925875784 619196407 /nfs/dbraw/zinc/19/64/07/619196407.db2.gz NJXNBQQRJHTRFW-XLMAVXFVSA-N 3 0 293.499 2.747 20 0 CFADRP CC(C)C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccn1 ZINC000925876256 619196508 /nfs/dbraw/zinc/19/65/08/619196508.db2.gz RYWXUZRRSVJAOC-YCPHGPKFSA-N 2 0 261.413 2.886 20 0 CFADRP Cc1ccc(NCC[NH2+][C@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925878677 619198393 /nfs/dbraw/zinc/19/83/93/619198393.db2.gz XWIPUTMNJHPTMR-QGZVFWFLSA-N 2 0 298.434 2.872 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@H]2c3ccccc3CC[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925888265 619205109 /nfs/dbraw/zinc/20/51/09/619205109.db2.gz ASNAHROMVPDRBY-WTTBNOFXSA-N 2 0 288.435 2.530 20 0 CFADRP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000893896161 619241519 /nfs/dbraw/zinc/24/15/19/619241519.db2.gz VOEWGDKARAIVQI-GFCCVEGCSA-N 2 0 266.351 2.895 20 0 CFADRP CC(C)N(C)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924904180 619271889 /nfs/dbraw/zinc/27/18/89/619271889.db2.gz OEIHIMGOTWRKNH-HNNXBMFYSA-N 2 0 277.456 2.739 20 0 CFADRP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000894230760 619272985 /nfs/dbraw/zinc/27/29/85/619272985.db2.gz IKEZCBMFVUCVIH-UHFFFAOYSA-N 2 0 278.396 2.596 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](Cc3nccn3C3CC3)C2)CC1 ZINC000894232181 619273564 /nfs/dbraw/zinc/27/35/64/619273564.db2.gz XCBCMTUNSIPWOG-UHFFFAOYSA-N 2 0 288.439 2.526 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000924948632 619297276 /nfs/dbraw/zinc/29/72/76/619297276.db2.gz IGYGLPGKJBEWFD-IXDOHACOSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924958750 619303034 /nfs/dbraw/zinc/30/30/34/619303034.db2.gz HITMLQRAUGPEFI-HOTGVXAUSA-N 2 0 275.440 2.723 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000924960682 619303873 /nfs/dbraw/zinc/30/38/73/619303873.db2.gz QQVGCBTUKWRGAQ-CHWSQXEVSA-N 2 0 258.837 2.856 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000924961438 619304643 /nfs/dbraw/zinc/30/46/43/619304643.db2.gz VUEBHFCOGMBJIL-KBAYOESNSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H](C[N@@H+]1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000261976403 619357918 /nfs/dbraw/zinc/35/79/18/619357918.db2.gz QUTXJRPWHXCUGB-RYUDHWBXSA-N 2 0 252.789 2.724 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000894454927 619390864 /nfs/dbraw/zinc/39/08/64/619390864.db2.gz CHGLKHLMWZGOPM-LVQVYYBASA-N 2 0 250.430 2.885 20 0 CFADRP CCCN(CCC[NH+](C)C)C[C@H]1C[C@]1(C)Br ZINC000894480745 619397076 /nfs/dbraw/zinc/39/70/76/619397076.db2.gz JTGDXNPBYYOZHI-OLZOCXBDSA-N 2 0 291.277 2.824 20 0 CFADRP CCOc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000894497302 619400644 /nfs/dbraw/zinc/40/06/44/619400644.db2.gz WTLICUFKYBMTDX-HIFRSBDPSA-N 2 0 278.396 2.594 20 0 CFADRP Cc1ccnc(N)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000894763866 619462270 /nfs/dbraw/zinc/46/22/70/619462270.db2.gz CIZMNJZSBBRKNZ-UHFFFAOYSA-N 2 0 298.434 2.666 20 0 CFADRP Cc1coc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000894780019 619465501 /nfs/dbraw/zinc/46/55/01/619465501.db2.gz VEYNHUWIVLLECL-HNNXBMFYSA-N 2 0 262.397 2.752 20 0 CFADRP C[C@]1(Br)C[C@H]1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894847891 619481658 /nfs/dbraw/zinc/48/16/58/619481658.db2.gz JDYLWFRVAPBBOL-AAEUAGOBSA-N 2 0 294.196 2.597 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(O)cc(Cl)c2)C1 ZINC000894861104 619488098 /nfs/dbraw/zinc/48/80/98/619488098.db2.gz PLNDMMJFJBUNPP-LBPRGKRZSA-N 2 0 282.815 2.867 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262075318 619488938 /nfs/dbraw/zinc/48/89/38/619488938.db2.gz SNDCQFMXYROLJU-UHFFFAOYSA-N 2 0 274.408 2.661 20 0 CFADRP C=Cn1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000895682117 619585360 /nfs/dbraw/zinc/58/53/60/619585360.db2.gz ASZLVGYWEPSATK-UHFFFAOYSA-N 2 0 276.428 2.682 20 0 CFADRP Cc1ncc(C[N@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000895683664 619585881 /nfs/dbraw/zinc/58/58/81/619585881.db2.gz RHDYVVLUOCFSJV-UHFFFAOYSA-N 2 0 265.401 2.681 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)CC1 ZINC000895771799 619603346 /nfs/dbraw/zinc/60/33/46/619603346.db2.gz QFNIGJGJIUGMHE-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895785106 619606240 /nfs/dbraw/zinc/60/62/40/619606240.db2.gz QMVCUSHUPTWFHZ-IDCJVQTKSA-N 2 0 285.435 2.932 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895785108 619606374 /nfs/dbraw/zinc/60/63/74/619606374.db2.gz QMVCUSHUPTWFHZ-KJWYOANISA-N 2 0 285.435 2.932 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC(CC)([NH+]2CCC2)CC1)OC ZINC000895823150 619615458 /nfs/dbraw/zinc/61/54/58/619615458.db2.gz UOVLGQNTUFHMGO-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](O)c1ccccc1 ZINC000895948835 619640136 /nfs/dbraw/zinc/64/01/36/619640136.db2.gz RXQHZDZORIITLR-KKGYMGPXSA-N 2 0 288.435 2.713 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2ccc3ncccc3c2)CC1 ZINC000896290749 619713497 /nfs/dbraw/zinc/71/34/97/619713497.db2.gz PCWKYPRTHDUZPE-UHFFFAOYSA-N 2 0 283.419 2.709 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)C[C@@H]21 ZINC000262372842 619869642 /nfs/dbraw/zinc/86/96/42/619869642.db2.gz XQKLYFMHLHDRPF-YLQAJVPDSA-N 2 0 299.393 2.933 20 0 CFADRP C[C@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCO1 ZINC000896923929 619894024 /nfs/dbraw/zinc/89/40/24/619894024.db2.gz NIPODQKYCLNFIY-QGZVFWFLSA-N 2 0 289.423 2.599 20 0 CFADRP CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925151852 619981401 /nfs/dbraw/zinc/98/14/01/619981401.db2.gz DRUGUKKXWRIASR-WMLDXEAASA-N 2 0 278.440 2.806 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000925153168 619984135 /nfs/dbraw/zinc/98/41/35/619984135.db2.gz WFVLIDLISFSDNO-ODIFPOPNSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@@H](C)C1 ZINC000925168759 620002001 /nfs/dbraw/zinc/00/20/01/620002001.db2.gz HPMPCECFYJIEQY-UJEKJILKSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H]1COC[C@H](C)C1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925216070 620027412 /nfs/dbraw/zinc/02/74/12/620027412.db2.gz HJWUCNVYFKSPOW-KBPBESRZSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000925222327 620036434 /nfs/dbraw/zinc/03/64/34/620036434.db2.gz RNIKNBKWUKSVBO-UJEKJILKSA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000925232710 620057283 /nfs/dbraw/zinc/05/72/83/620057283.db2.gz LNSJZKIOXNMBNC-HLLBOEOZSA-N 2 0 282.472 2.758 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCSCC1 ZINC000035120801 620234623 /nfs/dbraw/zinc/23/46/23/620234623.db2.gz IVUNVEOKRPXSKK-CYBMUJFWSA-N 2 0 258.475 2.982 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000925303624 620238886 /nfs/dbraw/zinc/23/88/86/620238886.db2.gz OZSPTAGAVOFNIJ-MRXNPFEDSA-N 2 0 280.456 2.941 20 0 CFADRP Cc1ccc([C@H](C)C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000897620539 620262707 /nfs/dbraw/zinc/26/27/07/620262707.db2.gz SOQHGJOTOZTQOV-BPQIPLTHSA-N 2 0 272.436 2.982 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC23CCCCC3)CC1(C)C ZINC000897726658 620274792 /nfs/dbraw/zinc/27/47/92/620274792.db2.gz BEHYXFQSXPSBNN-GJZGRUSLSA-N 2 0 280.456 2.941 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC34CC(O)C4)CC2)C1 ZINC000897848494 620293406 /nfs/dbraw/zinc/29/34/06/620293406.db2.gz MSEFAQMDVHATKD-PCGCFQARSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cncs1 ZINC000897930103 620305399 /nfs/dbraw/zinc/30/53/99/620305399.db2.gz IRXVRNOTDASCRV-QWRGUYRKSA-N 2 0 253.415 2.667 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(C)c1OC(F)F ZINC000841037370 620314970 /nfs/dbraw/zinc/31/49/70/620314970.db2.gz ONNSZFVYMRBKBT-CYBMUJFWSA-N 2 0 298.377 2.994 20 0 CFADRP CC[C@H](C)[C@@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)OC ZINC000897982767 620318335 /nfs/dbraw/zinc/31/83/35/620318335.db2.gz RAGDTVKDQSJIAB-XJKSGUPXSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC[C@H](O)C3CC3)CC2)C1 ZINC000898203732 620344551 /nfs/dbraw/zinc/34/45/51/620344551.db2.gz HTFVTABAERFRHA-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898204442 620344876 /nfs/dbraw/zinc/34/48/76/620344876.db2.gz UPNHDSZUIASBQV-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(OC)CCCCCC2)CC1 ZINC000898261410 620360024 /nfs/dbraw/zinc/36/00/24/620360024.db2.gz SFAGEIQOBVUNPB-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2)[C@H](C)C1 ZINC000866478413 620408160 /nfs/dbraw/zinc/40/81/60/620408160.db2.gz ICMUAPVSUCMISY-RDBSUJKOSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCSCCC(F)(F)F)[C@@H](C)C1 ZINC000866543793 620410029 /nfs/dbraw/zinc/41/00/29/620410029.db2.gz WWYPNBIQXXPSGL-RYUDHWBXSA-N 2 0 298.418 2.992 20 0 CFADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000866708676 620416322 /nfs/dbraw/zinc/41/63/22/620416322.db2.gz SSBWQPHNVWIWFC-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841047947 620419497 /nfs/dbraw/zinc/41/94/97/620419497.db2.gz FEYFMOUYZVQFCK-SECBINFHSA-N 2 0 260.353 2.686 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924631141 620424134 /nfs/dbraw/zinc/42/41/34/620424134.db2.gz FLBIBYOSJNYOLA-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000924646722 620432051 /nfs/dbraw/zinc/43/20/51/620432051.db2.gz DYNSPJYUVUYPTA-TXPKVOOTSA-N 2 0 299.462 2.867 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000924667574 620436612 /nfs/dbraw/zinc/43/66/12/620436612.db2.gz OHUVFTIWLCMLIA-VQHPVUNQSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)CO ZINC000924683595 620439732 /nfs/dbraw/zinc/43/97/32/620439732.db2.gz GVIUSWNFJFBCFM-OWCLPIDISA-N 2 0 284.488 2.741 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CO[C@H]1C ZINC000924688820 620440919 /nfs/dbraw/zinc/44/09/19/620440919.db2.gz VWGIONDDYPMMFV-VGWMRTNUSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000927030763 620442756 /nfs/dbraw/zinc/44/27/56/620442756.db2.gz KMJDGOHRGOENSP-MBNYWOFBSA-N 2 0 256.459 2.590 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000927035475 620444464 /nfs/dbraw/zinc/44/44/64/620444464.db2.gz ADEHJKWAMLBXGL-AQFXKWCLSA-N 2 0 292.467 2.942 20 0 CFADRP Cc1ncncc1[C@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036779 620444732 /nfs/dbraw/zinc/44/47/32/620444732.db2.gz JTTSQNUTEOCPFJ-UQPPLGOBSA-N 2 0 288.439 2.843 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCOC12CCCCC2)C[NH+]1CCCC1 ZINC000924715830 620452020 /nfs/dbraw/zinc/45/20/20/620452020.db2.gz NATRFZHLAAFLRN-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(C[NH+](C)C)c1 ZINC000924726673 620455737 /nfs/dbraw/zinc/45/57/37/620455737.db2.gz PWADBEDXDAWEGG-ZBFHGGJFSA-N 2 0 276.424 2.825 20 0 CFADRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N[C@@H](C)C2CC2)c1 ZINC000899264384 620537596 /nfs/dbraw/zinc/53/75/96/620537596.db2.gz DHAYURGJGFBRJZ-ZDUSSCGKSA-N 2 0 288.439 2.551 20 0 CFADRP C[NH+](C)Cc1cc(-c2ccc3c(c2)C[C@H]([NH3+])C3)ccc1F ZINC000899321995 620543106 /nfs/dbraw/zinc/54/31/06/620543106.db2.gz AFWLKOWQYVZNSE-QGZVFWFLSA-N 2 0 284.378 2.980 20 0 CFADRP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899324306 620543810 /nfs/dbraw/zinc/54/38/10/620543810.db2.gz VKQFVVFXPYEREK-ZDUSSCGKSA-N 2 0 284.407 2.530 20 0 CFADRP CC(C)CC[NH+]1CCC(NCc2ccccc2CO)CC1 ZINC000924762073 620593329 /nfs/dbraw/zinc/59/33/29/620593329.db2.gz XSIUUWVYDHAWRS-UHFFFAOYSA-N 2 0 290.451 2.779 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000902067004 620973314 /nfs/dbraw/zinc/97/33/14/620973314.db2.gz HLHAJVKUHVUKGU-HZPDHXFCSA-N 2 0 292.471 2.751 20 0 CFADRP CCn1cnc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000902067005 620973483 /nfs/dbraw/zinc/97/34/83/620973483.db2.gz HLHAJVKUHVUKGU-IYBDPMFKSA-N 2 0 292.471 2.751 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2NCC)C1 ZINC000902092957 620977477 /nfs/dbraw/zinc/97/74/77/620977477.db2.gz NFXDDOZZCOGBOI-HNNXBMFYSA-N 2 0 275.440 2.940 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902194037 620995594 /nfs/dbraw/zinc/99/55/94/620995594.db2.gz DHKNWJFKSJKDKX-UHFFFAOYSA-N 2 0 275.440 2.858 20 0 CFADRP CCn1cnc(C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000902233317 621003349 /nfs/dbraw/zinc/00/33/49/621003349.db2.gz PHOLYOYCXDEDEZ-UHFFFAOYSA-N 2 0 278.444 2.649 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2COc3ccccc3C2)C1 ZINC000902315157 621030845 /nfs/dbraw/zinc/03/08/45/621030845.db2.gz KOMCAZAQIBCOGD-HOCLYGCPSA-N 2 0 288.435 2.606 20 0 CFADRP CCc1nc(CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cs1 ZINC000902346889 621034267 /nfs/dbraw/zinc/03/42/67/621034267.db2.gz MCAWKGHWSFKAGK-GFCCVEGCSA-N 2 0 281.469 2.616 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349657 621035788 /nfs/dbraw/zinc/03/57/88/621035788.db2.gz YSTKPQIOEQTEOC-PMPSAXMXSA-N 2 0 282.472 2.805 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOc2ccccc2F)C1 ZINC000902331960 621039109 /nfs/dbraw/zinc/03/91/09/621039109.db2.gz XFNPAYZEFFSJCB-ZDUSSCGKSA-N 2 0 280.387 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000902334210 621040656 /nfs/dbraw/zinc/04/06/56/621040656.db2.gz OZROWGHSUFLTTF-LSDHHAIUSA-N 2 0 296.842 2.741 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCOC2CCCC2)C1 ZINC000902337090 621041619 /nfs/dbraw/zinc/04/16/19/621041619.db2.gz NTMSDPKGYXPPHY-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902375700 621046237 /nfs/dbraw/zinc/04/62/37/621046237.db2.gz XUIRBEMJWKVZTP-DGCLKSJQSA-N 2 0 281.469 2.923 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCNc2cccc(F)c2)C1 ZINC000902375269 621046492 /nfs/dbraw/zinc/04/64/92/621046492.db2.gz ULNUYAAHCBXMOH-MRXNPFEDSA-N 2 0 293.430 2.996 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902351473 621048176 /nfs/dbraw/zinc/04/81/76/621048176.db2.gz DYTQGCMMKACVRC-OAHLLOKOSA-N 2 0 282.472 2.951 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902352932 621048946 /nfs/dbraw/zinc/04/89/46/621048946.db2.gz VKRVCDNHUGPTKS-OAHLLOKOSA-N 2 0 276.424 2.742 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](CCCO)c2ccccc2)C1 ZINC000902359798 621052419 /nfs/dbraw/zinc/05/24/19/621052419.db2.gz IAOGVXXQCLLUHU-IRXDYDNUSA-N 2 0 290.451 2.868 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](CCCO)c2ccccc2)C1 ZINC000902359799 621052596 /nfs/dbraw/zinc/05/25/96/621052596.db2.gz IAOGVXXQCLLUHU-SJORKVTESA-N 2 0 290.451 2.868 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902360622 621053126 /nfs/dbraw/zinc/05/31/26/621053126.db2.gz IAGFCJSUUZYJPL-IAGOWNOFSA-N 3 0 295.515 2.722 20 0 CFADRP [NH3+]CCCC[C@H]([NH2+]CC1(O)CCC1)c1ccc(F)cc1F ZINC000902361847 621053231 /nfs/dbraw/zinc/05/32/31/621053231.db2.gz UPEFMQRONOJZLB-HNNXBMFYSA-N 2 0 298.377 2.640 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+](C)C ZINC000902364729 621054493 /nfs/dbraw/zinc/05/44/93/621054493.db2.gz USGKGUASESYZGW-CVEARBPZSA-N 2 0 283.504 2.721 20 0 CFADRP Cc1cccc(CCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)n1 ZINC000902381959 621059171 /nfs/dbraw/zinc/05/91/71/621059171.db2.gz ABMUEDPKWBHUFS-INIZCTEOSA-N 2 0 275.440 2.690 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000902383293 621059733 /nfs/dbraw/zinc/05/97/33/621059733.db2.gz KXCYYKAQQLCGNX-NWDGAFQWSA-N 2 0 260.372 2.790 20 0 CFADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C1(O)CCCC1 ZINC000902387894 621061505 /nfs/dbraw/zinc/06/15/05/621061505.db2.gz MQWCJVGTNQECHT-AWEZNQCLSA-N 2 0 282.472 2.686 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000902390102 621062051 /nfs/dbraw/zinc/06/20/51/621062051.db2.gz HCNJKNFRKXHOJC-GFCCVEGCSA-N 2 0 260.372 2.790 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902393662 621063531 /nfs/dbraw/zinc/06/35/31/621063531.db2.gz SZNWKMJXFSXASQ-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc3c2CCCN3)C1 ZINC000902394926 621064044 /nfs/dbraw/zinc/06/40/44/621064044.db2.gz YIKHTCLPBQWKJG-HNNXBMFYSA-N 2 0 287.451 2.913 20 0 CFADRP C[C@]1(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902398273 621066340 /nfs/dbraw/zinc/06/63/40/621066340.db2.gz JQIYMOHTUUKZFC-AAEUAGOBSA-N 2 0 260.372 2.790 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)C1 ZINC000902400853 621067410 /nfs/dbraw/zinc/06/74/10/621067410.db2.gz WMKLMTQVVBSFGL-HOCLYGCPSA-N 2 0 273.424 2.624 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902401763 621067788 /nfs/dbraw/zinc/06/77/88/621067788.db2.gz CYWUMGQTMWPHCX-OAHLLOKOSA-N 3 0 299.409 2.852 20 0 CFADRP CC1(C)CO[C@@H](CC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902402282 621067876 /nfs/dbraw/zinc/06/78/76/621067876.db2.gz KBSDJONFUTWKEW-KGLIPLIRSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000902402473 621067986 /nfs/dbraw/zinc/06/79/86/621067986.db2.gz LSPZYVXWEYPGPU-KFWWJZLASA-N 2 0 250.430 2.790 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000902403500 621068918 /nfs/dbraw/zinc/06/89/18/621068918.db2.gz HPBGRFYSKVKQEE-BPLDGKMQSA-N 2 0 262.397 2.924 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)[C@H]1CCCC[NH2+]1 ZINC000902429365 621075864 /nfs/dbraw/zinc/07/58/64/621075864.db2.gz JWXYYKAGWKTUPC-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000902429371 621076817 /nfs/dbraw/zinc/07/68/17/621076817.db2.gz JWXZCALUADGSRC-NWDGAFQWSA-N 2 0 268.788 2.708 20 0 CFADRP COc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000902432220 621077561 /nfs/dbraw/zinc/07/75/61/621077561.db2.gz WAAOQVAPPLLFBY-KWCYVHTRSA-N 2 0 294.826 2.826 20 0 CFADRP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000902431515 621077768 /nfs/dbraw/zinc/07/77/68/621077768.db2.gz MGTPEXZRCDYHBS-HIFRSBDPSA-N 2 0 268.445 2.546 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000902433246 621078151 /nfs/dbraw/zinc/07/81/51/621078151.db2.gz ZJPXONWOLKFPRO-IEAZIUSSSA-N 2 0 274.408 2.662 20 0 CFADRP CC(C)(C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000902433916 621078753 /nfs/dbraw/zinc/07/87/53/621078753.db2.gz VLBGZDWJVOLNED-GJZGRUSLSA-N 2 0 282.472 2.935 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)C1 ZINC000902474221 621086187 /nfs/dbraw/zinc/08/61/87/621086187.db2.gz DHKHOLFCJKWPBJ-FWEDZOCSSA-N 2 0 291.483 2.512 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902447410 621089914 /nfs/dbraw/zinc/08/99/14/621089914.db2.gz ULFOWHVLZPGFCH-JZIBPQBNSA-N 2 0 291.464 2.926 20 0 CFADRP CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH3+])CCS1 ZINC000902452150 621092682 /nfs/dbraw/zinc/09/26/82/621092682.db2.gz JHEXTHZBCMQRBC-XQQFMLRXSA-N 2 0 256.459 2.768 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902452175 621092809 /nfs/dbraw/zinc/09/28/09/621092809.db2.gz JRCSJGMFKLYHDE-XALPAYFRSA-N 2 0 280.362 2.928 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC1CCC(F)(F)CC1 ZINC000902455116 621093826 /nfs/dbraw/zinc/09/38/26/621093826.db2.gz IZZRGPXADMMYQN-FPMFFAJLSA-N 2 0 290.398 2.544 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902455188 621093906 /nfs/dbraw/zinc/09/39/06/621093906.db2.gz WAZZUFNHYDJICR-NOHGZBONSA-N 2 0 268.351 2.926 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902455843 621094095 /nfs/dbraw/zinc/09/40/95/621094095.db2.gz NFOOZQCJJXIHFZ-SHUKQUCYSA-N 2 0 259.397 2.688 20 0 CFADRP CC[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902455755 621094118 /nfs/dbraw/zinc/09/41/18/621094118.db2.gz YWAJSDBKVZFRID-UPJWGTAASA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902456375 621094177 /nfs/dbraw/zinc/09/41/77/621094177.db2.gz OMWPRHSYBWLAFG-PYIOCPRISA-N 2 0 258.409 2.723 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470989 621101664 /nfs/dbraw/zinc/10/16/64/621101664.db2.gz IKBNPJPQJUXGRQ-VVLHAWIVSA-N 2 0 276.399 2.875 20 0 CFADRP CC(C)c1nc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cs1 ZINC000902483767 621110339 /nfs/dbraw/zinc/11/03/39/621110339.db2.gz BHBDNOWGVUTGLB-DCAQKATOSA-N 2 0 253.415 2.654 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1OC ZINC000902484746 621110690 /nfs/dbraw/zinc/11/06/90/621110690.db2.gz HIIXIYFBBMLNCV-ABHRYQDASA-N 2 0 292.423 2.523 20 0 CFADRP CC1(C)[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C[C@@H]1c1ccccc1 ZINC000902484728 621110714 /nfs/dbraw/zinc/11/07/14/621110714.db2.gz HAIAOYQOQOLFIA-DTZQCDIJSA-N 2 0 258.409 2.896 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902486124 621111580 /nfs/dbraw/zinc/11/15/80/621111580.db2.gz PUKCLHLPIBPNAA-MKBNYLNASA-N 2 0 274.408 2.745 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000902486939 621112096 /nfs/dbraw/zinc/11/20/96/621112096.db2.gz FJTIZUUVACSGSB-PBFPGSCMSA-N 2 0 258.409 2.953 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902487157 621112159 /nfs/dbraw/zinc/11/21/59/621112159.db2.gz IXOQYVBVZPGINU-OBJOEFQTSA-N 2 0 258.365 2.691 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000902487779 621112472 /nfs/dbraw/zinc/11/24/72/621112472.db2.gz MHMNIAHSKWXMIK-GPCCPHFNSA-N 2 0 250.773 2.654 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902488108 621112661 /nfs/dbraw/zinc/11/26/61/621112661.db2.gz KFMBJUGDIZTGLL-CKYFFXLPSA-N 2 0 268.788 2.737 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC000902488690 621112667 /nfs/dbraw/zinc/11/26/67/621112667.db2.gz MIUYNVJRDMUAFA-VCOSZWKGSA-N 2 0 262.372 2.789 20 0 CFADRP CCn1cnc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000902654107 621144924 /nfs/dbraw/zinc/14/49/24/621144924.db2.gz ZXGRNMDAOWXRHD-UHFFFAOYSA-N 2 0 290.455 2.790 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902719950 621156083 /nfs/dbraw/zinc/15/60/83/621156083.db2.gz AHOOQERKNKZDRB-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902728352 621159414 /nfs/dbraw/zinc/15/94/14/621159414.db2.gz QWIWPULNSBQIKJ-GQLSEVEHSA-N 2 0 292.467 2.654 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902752583 621164868 /nfs/dbraw/zinc/16/48/68/621164868.db2.gz KNNDKSANQVMKCX-NXHRZFHOSA-N 2 0 294.483 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000902753014 621165094 /nfs/dbraw/zinc/16/50/94/621165094.db2.gz NTGIAVGRJPJPRN-HOTGVXAUSA-N 2 0 298.434 2.865 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)C1 ZINC000902752999 621165249 /nfs/dbraw/zinc/16/52/49/621165249.db2.gz NMLHQMPMHBGUIM-UXLLHSPISA-N 2 0 288.435 2.558 20 0 CFADRP COC(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c(C)c1 ZINC000902765921 621169295 /nfs/dbraw/zinc/16/92/95/621169295.db2.gz CIQFYDVQJJJEHI-HIFRSBDPSA-N 2 0 290.407 2.526 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902791905 621177737 /nfs/dbraw/zinc/17/77/37/621177737.db2.gz ZOWBRULNCBECJC-GJZGRUSLSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000902794849 621178824 /nfs/dbraw/zinc/17/88/24/621178824.db2.gz ZFGNKRNEMBSDIH-UXJCHEOYSA-N 2 0 292.467 2.510 20 0 CFADRP CSC1(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC[NH+](C)CC1 ZINC000902993481 621219863 /nfs/dbraw/zinc/21/98/63/621219863.db2.gz SZWCCXFIHMYUQK-ZIAGYGMSSA-N 2 0 282.497 2.982 20 0 CFADRP CSC1(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000902993475 621219955 /nfs/dbraw/zinc/21/99/55/621219955.db2.gz SZWCCXFIHMYUQK-KBPBESRZSA-N 2 0 282.497 2.982 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903018222 621222536 /nfs/dbraw/zinc/22/25/36/621222536.db2.gz ZCRHDEFREMNRQD-LVQVYYBASA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1CCOCC1 ZINC000902998341 621224680 /nfs/dbraw/zinc/22/46/80/621224680.db2.gz CNUMPQSZNHZHDF-GDBMZVCRSA-N 2 0 270.461 2.615 20 0 CFADRP CCCn1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)nn1 ZINC000903000289 621224865 /nfs/dbraw/zinc/22/48/65/621224865.db2.gz IZGNFPOZYBBCKX-HNNXBMFYSA-N 2 0 293.459 2.605 20 0 CFADRP COC(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)c1 ZINC000902999461 621225111 /nfs/dbraw/zinc/22/51/11/621225111.db2.gz OWZJEZKJUKCBBS-JSGCOSHPSA-N 2 0 292.423 2.630 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)C1 ZINC000903042878 621232437 /nfs/dbraw/zinc/23/24/37/621232437.db2.gz KBZBVTOHYBAQAQ-DZJNRPSUSA-N 2 0 294.483 2.902 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000903057304 621236071 /nfs/dbraw/zinc/23/60/71/621236071.db2.gz BIHLTULTKUMXFG-QZTJIDSGSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[NH+](C)C ZINC000903067197 621239149 /nfs/dbraw/zinc/23/91/49/621239149.db2.gz NYVOFSAHZKMMCM-ONQFOCNCSA-N 2 0 293.499 2.710 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@H]1C ZINC000903066836 621239242 /nfs/dbraw/zinc/23/92/42/621239242.db2.gz LXMVGGCGQWQDHK-LTIDMASMSA-N 2 0 295.515 2.673 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000903076749 621243781 /nfs/dbraw/zinc/24/37/81/621243781.db2.gz BEUPMMAIWDEYRG-MRXNPFEDSA-N 2 0 290.455 2.887 20 0 CFADRP COCCN1CCC([NH2+][C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)CC1 ZINC000903078973 621244845 /nfs/dbraw/zinc/24/48/45/621244845.db2.gz KTLYVMUDDRUUPS-KLZNWCGWSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H](C)CC[C@H](C)[C@H]1C)CN1CC[NH+](C)CC1 ZINC000903090835 621248938 /nfs/dbraw/zinc/24/89/38/621248938.db2.gz IBWGULWFENEKAX-CWQOZTLDSA-N 2 0 295.515 2.530 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000903068667 621249250 /nfs/dbraw/zinc/24/92/50/621249250.db2.gz JXVFENGYWAOQFK-HRCADAONSA-N 2 0 268.445 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(CC3CCC3)c2)C1 ZINC000903071501 621250399 /nfs/dbraw/zinc/25/03/99/621250399.db2.gz CUUSOHPQKZYOLD-GDBMZVCRSA-N 2 0 290.455 2.676 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000903070853 621250472 /nfs/dbraw/zinc/25/04/72/621250472.db2.gz YFSHSRZYBOUMHQ-RBSFLKMASA-N 2 0 250.430 2.887 20 0 CFADRP FC(F)(F)SCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903072977 621250993 /nfs/dbraw/zinc/25/09/93/621250993.db2.gz GKMDROACZGLCPO-CLYYMRHHSA-N 2 0 294.386 2.987 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000903073752 621251178 /nfs/dbraw/zinc/25/11/78/621251178.db2.gz QFAIVLVQZRPKMA-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000903098551 621252115 /nfs/dbraw/zinc/25/21/15/621252115.db2.gz QFWMZSJJJXEJAY-BFHYXJOUSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@@H](C[C@H](C)CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903103925 621253903 /nfs/dbraw/zinc/25/39/03/621253903.db2.gz BMFGNCTYGCXZMC-VUZHLFFPSA-N 2 0 280.456 2.531 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903106093 621254922 /nfs/dbraw/zinc/25/49/22/621254922.db2.gz DZAPXAUCPQDZDC-BRJPPFPTSA-N 2 0 291.483 2.607 20 0 CFADRP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC[C@@H]1O ZINC000903105141 621255009 /nfs/dbraw/zinc/25/50/09/621255009.db2.gz QQIKRPXXGQMOKW-HMGCCCKFSA-N 2 0 292.467 2.675 20 0 CFADRP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccncc1 ZINC000903105751 621255106 /nfs/dbraw/zinc/25/51/06/621255106.db2.gz DEZYPNJVTVXGQJ-PNFOFYCQSA-N 2 0 285.435 2.933 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccncc1 ZINC000903105752 621255268 /nfs/dbraw/zinc/25/52/68/621255268.db2.gz DEZYPNJVTVXGQJ-ZVRJUHEZSA-N 2 0 285.435 2.933 20 0 CFADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110212 621257056 /nfs/dbraw/zinc/25/70/56/621257056.db2.gz AWNINKPWRHOWCO-VUZHLFFPSA-N 2 0 278.440 2.549 20 0 CFADRP CO[C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000903097557 621259464 /nfs/dbraw/zinc/25/94/64/621259464.db2.gz UAYRUPBGNXKQGL-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCO1 ZINC000903128502 621262764 /nfs/dbraw/zinc/26/27/64/621262764.db2.gz ZWVJDEJCADPWCY-WPXLMEDKSA-N 2 0 278.440 2.691 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2nccc3c2CCCC3)[C@H]2CCC[C@H]21 ZINC000903182857 621277424 /nfs/dbraw/zinc/27/74/24/621277424.db2.gz WDKPZXYUSFUXPG-ZIFCJYIRSA-N 2 0 299.462 2.923 20 0 CFADRP CCC(C)(C)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903182897 621277483 /nfs/dbraw/zinc/27/74/83/621277483.db2.gz HHFUHBGSXZWBLX-VHRNVKJDSA-N 2 0 280.456 2.939 20 0 CFADRP C1CC1[N@H+]1[C@@H]2CC[C@H]1CC([NH2+][C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000903193100 621280875 /nfs/dbraw/zinc/28/08/75/621280875.db2.gz CKHFEQILVPKJGS-AACDENIVSA-N 2 0 260.425 2.922 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2ccc3ncccc3c2)CC[N@@H+]1C ZINC000903194079 621280908 /nfs/dbraw/zinc/28/09/08/621280908.db2.gz YYEGLLRIYWTUMQ-WMLDXEAASA-N 2 0 283.419 2.850 20 0 CFADRP c1cnc2ccc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000903194048 621280995 /nfs/dbraw/zinc/28/09/95/621280995.db2.gz YDZOXUXGNKTKNW-QZTJIDSGSA-N 2 0 295.430 2.994 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1C ZINC000903196531 621281950 /nfs/dbraw/zinc/28/19/50/621281950.db2.gz QFWUPDQNIGNGRJ-HLZFJGBKSA-N 2 0 252.446 2.987 20 0 CFADRP CC(C)CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903207971 621288285 /nfs/dbraw/zinc/28/82/85/621288285.db2.gz XJRPSNHBDGEWCN-YTTRVJOFSA-N 2 0 280.456 2.531 20 0 CFADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903209499 621288567 /nfs/dbraw/zinc/28/85/67/621288567.db2.gz LTUNUPYGFMAPGJ-SXLMRFEMSA-N 2 0 292.467 2.673 20 0 CFADRP C([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@@H]1CCC2(CCC2)O1 ZINC000903218109 621291409 /nfs/dbraw/zinc/29/14/09/621291409.db2.gz ALWCWRPIHZZASK-YQAQFAQXSA-N 2 0 290.451 2.836 20 0 CFADRP C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)C1CC[NH+](C)CC1 ZINC000903272287 621308682 /nfs/dbraw/zinc/30/86/82/621308682.db2.gz OIUGKRSTQWFODD-MJEQTWJJSA-N 2 0 292.398 2.778 20 0 CFADRP Cc1cc(CO)cc(C)c1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000903307251 621325703 /nfs/dbraw/zinc/32/57/03/621325703.db2.gz IBTIEHXXNNHIDR-HNNXBMFYSA-N 2 0 290.451 2.616 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C[NH+](C)C)c1 ZINC000903390765 621360295 /nfs/dbraw/zinc/36/02/95/621360295.db2.gz IQHGVLVMZDCYKV-OLZOCXBDSA-N 2 0 264.413 2.558 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@H+](Cc2cccc(F)c2)C2CC2)C1 ZINC000903431236 621372133 /nfs/dbraw/zinc/37/21/33/621372133.db2.gz KIUAGOALUAJHFO-DZGCQCFKSA-N 2 0 262.372 2.918 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000903432854 621372898 /nfs/dbraw/zinc/37/28/98/621372898.db2.gz NMWCDSYQGGVFEE-NJAFHUGGSA-N 2 0 288.435 2.523 20 0 CFADRP COCCCC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903433047 621373187 /nfs/dbraw/zinc/37/31/87/621373187.db2.gz SAROMUULQZCKKO-AEFFLSMTSA-N 2 0 290.451 2.771 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000903439108 621375855 /nfs/dbraw/zinc/37/58/55/621375855.db2.gz DLHJYXRLSASKHB-OHFALNGGSA-N 2 0 258.409 2.720 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000903439381 621375908 /nfs/dbraw/zinc/37/59/08/621375908.db2.gz IDSIPHXYOKHWDB-RMHZUWNSSA-N 2 0 292.398 2.715 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000903439383 621375980 /nfs/dbraw/zinc/37/59/80/621375980.db2.gz IDSIPHXYOKHWDB-UWWPHRKUSA-N 2 0 292.398 2.715 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)CO1 ZINC000903439511 621376039 /nfs/dbraw/zinc/37/60/39/621376039.db2.gz JDXANDDCSBNEHB-JHNDHUHGSA-N 2 0 274.408 2.576 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000903420420 621377939 /nfs/dbraw/zinc/37/79/39/621377939.db2.gz KHJMCLXMMOKICP-UHFFFAOYSA-N 2 0 261.413 2.539 20 0 CFADRP FC(F)(F)CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903482984 621392795 /nfs/dbraw/zinc/39/27/95/621392795.db2.gz AOPQESYZYBXXEF-LLVKDONJSA-N 2 0 264.335 2.983 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903424678 621379567 /nfs/dbraw/zinc/37/95/67/621379567.db2.gz BCBCUDLDTUSJRI-WFASDCNBSA-N 2 0 257.381 2.727 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903458525 621379778 /nfs/dbraw/zinc/37/97/78/621379778.db2.gz CCNZJDYZLOKCLA-MCIONIFRSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000903458742 621380640 /nfs/dbraw/zinc/38/06/40/621380640.db2.gz INQBOAPDWUZYJB-AXFHLTTASA-N 2 0 254.324 2.743 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903461664 621381116 /nfs/dbraw/zinc/38/11/16/621381116.db2.gz XJQPFMDLFUNMIW-FAAHXZRKSA-N 2 0 280.362 2.847 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000903461200 621381371 /nfs/dbraw/zinc/38/13/71/621381371.db2.gz PEBYPUBZFVZFAN-GXSJLCMTSA-N 2 0 270.829 2.887 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000903441790 621382860 /nfs/dbraw/zinc/38/28/60/621382860.db2.gz BBDLRYPWMFBVQX-DZGCQCFKSA-N 2 0 298.434 2.870 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000903444686 621383284 /nfs/dbraw/zinc/38/32/84/621383284.db2.gz URGUVLLQKIAENH-RYRKJORJSA-N 2 0 287.451 2.715 20 0 CFADRP Cc1csc(C2([NH2+]C[C@@H]3CC[C@H]([NH3+])C3)CCCC2)n1 ZINC000903444521 621383402 /nfs/dbraw/zinc/38/34/02/621383402.db2.gz BBCBZLLPPJGJJJ-OLZOCXBDSA-N 2 0 279.453 2.938 20 0 CFADRP C(COC1CCSCC1)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000903445330 621384055 /nfs/dbraw/zinc/38/40/55/621384055.db2.gz HDAHZYPOCXDRAS-HZPDHXFCSA-N 2 0 298.496 2.505 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903453648 621387496 /nfs/dbraw/zinc/38/74/96/621387496.db2.gz GXDRBJCQHHNAOE-CHWSQXEVSA-N 2 0 260.372 2.886 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000903454015 621387677 /nfs/dbraw/zinc/38/76/77/621387677.db2.gz RJGYIEUKXVAVDP-IKGGRYGDSA-N 2 0 282.472 2.617 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000903456310 621388506 /nfs/dbraw/zinc/38/85/06/621388506.db2.gz GNOSAXSECZTNHT-MJBXVCDLSA-N 2 0 294.826 2.921 20 0 CFADRP [NH3+][C@@H](C[C@@H]1CCCN(Cc2cnns2)C1)C1CCCC1 ZINC000903482273 621392444 /nfs/dbraw/zinc/39/24/44/621392444.db2.gz AAWOQRQCVAHJBO-WFASDCNBSA-N 2 0 294.468 2.658 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nsc3ccccc32)C[C@H]1CC[NH3+] ZINC000903499385 621394014 /nfs/dbraw/zinc/39/40/14/621394014.db2.gz SIWSNUBVOATFLA-VXGBXAGGSA-N 2 0 275.421 2.713 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(Cl)cc2Cl)C[C@H]1CC[NH3+] ZINC000903499773 621394209 /nfs/dbraw/zinc/39/42/09/621394209.db2.gz NJHTVEWODBPWNR-NXEZZACHSA-N 2 0 288.222 2.805 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1CC[NH3+] ZINC000903496782 621394714 /nfs/dbraw/zinc/39/47/14/621394714.db2.gz DIZGMQNQKZWXRS-UKRRQHHQSA-N 2 0 285.391 2.758 20 0 CFADRP c1ccc([C@]23C[C@H]2C[N@@H+](CCC2CC[NH2+]CC2)C3)cc1 ZINC000903490955 621394774 /nfs/dbraw/zinc/39/47/74/621394774.db2.gz OPTDGBBQECSIKU-ZWKOTPCHSA-N 2 0 270.420 2.650 20 0 CFADRP FC1(F)C[C@@]2(CC[N@H+](CCC3CC[NH2+]CC3)C2)C1(F)F ZINC000903490886 621394884 /nfs/dbraw/zinc/39/48/84/621394884.db2.gz LKQZTFAMXFVMGW-GFCCVEGCSA-N 2 0 294.336 2.743 20 0 CFADRP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1CC[NH2+]CC1 ZINC000903708329 621423784 /nfs/dbraw/zinc/42/37/84/621423784.db2.gz RFPUFFLBARHHRW-UHFFFAOYSA-N 2 0 284.407 2.508 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903717879 621424375 /nfs/dbraw/zinc/42/43/75/621424375.db2.gz FGRFXVAXCBSXTE-SQNIBIBYSA-N 2 0 286.419 2.592 20 0 CFADRP C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CCC([NH3+])CC1 ZINC000903716617 621424999 /nfs/dbraw/zinc/42/49/99/621424999.db2.gz AGELAHFGLHMJOI-IFWUJCSASA-N 2 0 294.361 2.688 20 0 CFADRP C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718226 621425356 /nfs/dbraw/zinc/42/53/56/621425356.db2.gz IVXVFGIRDRBRGV-JKSUJKDBSA-N 2 0 294.826 2.540 20 0 CFADRP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719320 621425559 /nfs/dbraw/zinc/42/55/59/621425559.db2.gz YBRXLJXUUFOBDI-WBVHZDCISA-N 2 0 288.435 2.838 20 0 CFADRP c1csc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903718837 621425610 /nfs/dbraw/zinc/42/56/10/621425610.db2.gz RSZMGLPCGUGUCV-DZKIICNBSA-N 2 0 292.448 2.654 20 0 CFADRP CC(C)[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000903722408 621427019 /nfs/dbraw/zinc/42/70/19/621427019.db2.gz ACYCPACDWXEODZ-MRXNPFEDSA-N 2 0 280.456 2.798 20 0 CFADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+](CC1CCCCC1)C1CC1 ZINC000903723837 621427740 /nfs/dbraw/zinc/42/77/40/621427740.db2.gz YNAQSXYLYZVKJI-ZWKOTPCHSA-N 2 0 292.467 2.800 20 0 CFADRP C[N@H+](CCCc1ccccc1)C[C@H]1CCCC[NH2+]C1 ZINC000903724868 621427755 /nfs/dbraw/zinc/42/77/55/621427755.db2.gz RIEKURWKLAHGJG-KRWDZBQOSA-N 2 0 260.425 2.941 20 0 CFADRP C[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000903728673 621428613 /nfs/dbraw/zinc/42/86/13/621428613.db2.gz DRLQKIHMUQYBKG-QAPCUYQASA-N 2 0 272.436 2.865 20 0 CFADRP CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903728404 621428875 /nfs/dbraw/zinc/42/88/75/621428875.db2.gz AMPOBIHRBLTLAX-NUJGCVRESA-N 2 0 294.483 2.903 20 0 CFADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000903728672 621428980 /nfs/dbraw/zinc/42/89/80/621428980.db2.gz DRLQKIHMUQYBKG-MAUKXSAKSA-N 2 0 272.436 2.865 20 0 CFADRP CC[C@H](C)[C@H](C)[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903729261 621429341 /nfs/dbraw/zinc/42/93/41/621429341.db2.gz LKWRHUNJODHMNL-OTRWWLKZSA-N 2 0 280.456 2.654 20 0 CFADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCCC2(CCCC2)C1 ZINC000903753729 621433037 /nfs/dbraw/zinc/43/30/37/621433037.db2.gz XRSCUWGUMMFXGU-MRXNPFEDSA-N 2 0 292.467 2.801 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2C[C@H]2CCCC[NH2+]C2)ccn1 ZINC000903751526 621433316 /nfs/dbraw/zinc/43/33/16/621433316.db2.gz GFHYJWXPBVLPQJ-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP CCC[C@]1(C)CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903734956 621433702 /nfs/dbraw/zinc/43/37/02/621433702.db2.gz XYBFTOWLBPYBRA-GVDBMIGSSA-N 2 0 280.456 2.657 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903734876 621433835 /nfs/dbraw/zinc/43/38/35/621433835.db2.gz WXLGTMNYBDIIRP-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903763278 621436569 /nfs/dbraw/zinc/43/65/69/621436569.db2.gz JOYITHJYSRPMGI-IXDOHACOSA-N 2 0 280.456 2.800 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000903763186 621436593 /nfs/dbraw/zinc/43/65/93/621436593.db2.gz HVRMKEUFQGDHJY-IRXDYDNUSA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903763238 621436850 /nfs/dbraw/zinc/43/68/50/621436850.db2.gz JALQVAMXCGZQKY-ULQDDVLXSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000903767627 621437265 /nfs/dbraw/zinc/43/72/65/621437265.db2.gz YAUHMKVQUAGSGE-SQNIBIBYSA-N 2 0 292.467 2.657 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]C1 ZINC000903758523 621438736 /nfs/dbraw/zinc/43/87/36/621438736.db2.gz LRMJJMSPMAHWOO-JYJNAYRXSA-N 2 0 268.445 2.559 20 0 CFADRP c1ccc(N[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)cc1 ZINC000903756170 621438529 /nfs/dbraw/zinc/43/85/29/621438529.db2.gz PFNKRCPPHUUXFW-SJLPKXTDSA-N 2 0 287.451 2.953 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757336 621438555 /nfs/dbraw/zinc/43/85/55/621438555.db2.gz CKMWBCBOAIQAAQ-QAETUUGQSA-N 2 0 280.456 2.559 20 0 CFADRP Cc1ccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)c(C)n1 ZINC000903790913 621439016 /nfs/dbraw/zinc/43/90/16/621439016.db2.gz GXUDHQMKLAZQIH-UHFFFAOYSA-N 2 0 275.440 2.895 20 0 CFADRP CCc1nocc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792678 621439105 /nfs/dbraw/zinc/43/91/05/621439105.db2.gz FUAACLGOGSXBOC-UHFFFAOYSA-N 2 0 299.418 2.730 20 0 CFADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000903794081 621439707 /nfs/dbraw/zinc/43/97/07/621439707.db2.gz ZVBCJXZHTWKSCD-KRWDZBQOSA-N 2 0 288.435 2.548 20 0 CFADRP C[N@H+](CCCCCC[NH3+])C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903781294 621441146 /nfs/dbraw/zinc/44/11/46/621441146.db2.gz PKXMKOPEBBPUTQ-STQMWFEESA-N 2 0 296.377 2.937 20 0 CFADRP FC1(F)C[C@@]2(CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)C1(F)F ZINC000903784228 621441526 /nfs/dbraw/zinc/44/15/26/621441526.db2.gz MAFKWCKEABGNCP-NWDGAFQWSA-N 2 0 294.336 2.743 20 0 CFADRP c1csc(C[C@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)n1 ZINC000903787173 621442494 /nfs/dbraw/zinc/44/24/94/621442494.db2.gz VBFXLSRHMJWSRQ-CABCVRRESA-N 2 0 293.480 2.787 20 0 CFADRP CC(C)OCCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816599 621443218 /nfs/dbraw/zinc/44/32/18/621443218.db2.gz ZVRVCPLKCJOASA-HNNXBMFYSA-N 2 0 268.445 2.785 20 0 CFADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)O1 ZINC000903810724 621446980 /nfs/dbraw/zinc/44/69/80/621446980.db2.gz GCASXKIFEVPDDX-ILXRZTDVSA-N 2 0 266.429 2.537 20 0 CFADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC[C@@H]2CCCO2)CCC1 ZINC000903813219 621447547 /nfs/dbraw/zinc/44/75/47/621447547.db2.gz ZETSEIFZZMROSZ-GJZGRUSLSA-N 2 0 266.429 2.539 20 0 CFADRP CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC000903811860 621447633 /nfs/dbraw/zinc/44/76/33/621447633.db2.gz OTFRCZVKXNKHDZ-HUUCEWRRSA-N 2 0 280.456 2.785 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCc2cccnc2)CCC1 ZINC000903812137 621447807 /nfs/dbraw/zinc/44/78/07/621447807.db2.gz QSTFPIHIBJBBKH-MRXNPFEDSA-N 2 0 273.424 2.608 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818900 621448464 /nfs/dbraw/zinc/44/84/64/621448464.db2.gz XTCZXEKOJIIQSO-CVEARBPZSA-N 2 0 280.456 2.657 20 0 CFADRP C(C[N@@H+]1CCCSC[C@@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000903825587 621450379 /nfs/dbraw/zinc/45/03/79/621450379.db2.gz ACPXSRDACDPXIB-UKRRQHHQSA-N 2 0 268.470 2.594 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3ncccc13)C2 ZINC000903838570 621453272 /nfs/dbraw/zinc/45/32/72/621453272.db2.gz CRALSTBBRYETAB-QEJZJMRPSA-N 2 0 267.376 2.546 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000903850218 621456001 /nfs/dbraw/zinc/45/60/01/621456001.db2.gz MOBXLAOBEKZHQI-UBHSHLNASA-N 2 0 250.773 2.652 20 0 CFADRP c1c[nH]c([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000903872867 621462358 /nfs/dbraw/zinc/46/23/58/621462358.db2.gz KPTDXNSNMBRFFD-GOSISDBHSA-N 2 0 281.403 2.998 20 0 CFADRP c1ccc([C@@H]2CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000903883989 621463832 /nfs/dbraw/zinc/46/38/32/621463832.db2.gz OAKHCYMAYFILGT-BTFYYFJDSA-N 2 0 271.408 2.749 20 0 CFADRP C[C@H]1COc2ccccc2C[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914667 621465307 /nfs/dbraw/zinc/46/53/07/621465307.db2.gz KISKIXNPBWCKGV-YTTRVJOFSA-N 2 0 286.419 2.800 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000903895430 621465836 /nfs/dbraw/zinc/46/58/36/621465836.db2.gz NRMOYTLHJOOOMI-WFDRTZIDSA-N 2 0 280.456 2.652 20 0 CFADRP CCC[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903908702 621471035 /nfs/dbraw/zinc/47/10/35/621471035.db2.gz OKQPQPHLAAHNIX-NVXWUHKLSA-N 2 0 292.471 2.501 20 0 CFADRP COCc1ccccc1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903919925 621473109 /nfs/dbraw/zinc/47/31/09/621473109.db2.gz GDSXEQMSFNNSQV-UHFFFAOYSA-N 2 0 296.414 2.769 20 0 CFADRP C[C@H]([NH2+]C[C@H](N)CC(F)F)C(C)(C)c1ccccc1 ZINC000903922899 621473544 /nfs/dbraw/zinc/47/35/44/621473544.db2.gz HBHSNYTVXIVPPN-WCQYABFASA-N 2 0 270.367 2.925 20 0 CFADRP CCOCc1ccccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903924296 621474590 /nfs/dbraw/zinc/47/45/90/621474590.db2.gz BVNWIDLPRNBUJK-DODVFSASSA-N 2 0 288.435 2.843 20 0 CFADRP C[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)[C@@H]1CC2CCC1CC2 ZINC000903932186 621476572 /nfs/dbraw/zinc/47/65/72/621476572.db2.gz NYTROCYAEREYLV-NVNOCSQKSA-N 2 0 260.372 2.773 20 0 CFADRP c1ccc(O[C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000903933164 621476692 /nfs/dbraw/zinc/47/66/92/621476692.db2.gz ZKHCBGBEMUIBIX-MMNRESRNSA-N 2 0 286.419 2.670 20 0 CFADRP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000903932701 621476806 /nfs/dbraw/zinc/47/68/06/621476806.db2.gz FMFSETDZAOFTQQ-BXEXHWSDSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000903938468 621478150 /nfs/dbraw/zinc/47/81/50/621478150.db2.gz BYUJONPCBQAOCR-UHFFFAOYSA-N 2 0 269.392 2.966 20 0 CFADRP FC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000903938105 621478310 /nfs/dbraw/zinc/47/83/10/621478310.db2.gz ZTVIKTRCBHMMQN-LVMUYBQDSA-N 2 0 280.362 2.957 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957319 621478437 /nfs/dbraw/zinc/47/84/37/621478437.db2.gz PUDGMPBWPONZLO-FRRDWIJNSA-N 2 0 260.372 2.647 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cccc2cnccc21 ZINC000903958042 621478903 /nfs/dbraw/zinc/47/89/03/621478903.db2.gz VYCHBIAWMGWCQI-AWEZNQCLSA-N 2 0 291.345 2.569 20 0 CFADRP COc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1OCC(C)C ZINC000903940709 621481743 /nfs/dbraw/zinc/48/17/43/621481743.db2.gz BQQNFYXGQIRSJS-UHFFFAOYSA-N 2 0 294.439 2.947 20 0 CFADRP COc1cc(C[NH2+]CCC(C)(C)[NH3+])cc(Cl)c1OC ZINC000903941287 621482433 /nfs/dbraw/zinc/48/24/33/621482433.db2.gz WQIOITLASFRNQL-UHFFFAOYSA-N 2 0 286.803 2.574 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2c3ccccc3NC2(C)C)CC[NH2+]1 ZINC000903948619 621485605 /nfs/dbraw/zinc/48/56/05/621485605.db2.gz SJJCGOYPNVCZFI-XJKCOSOUSA-N 2 0 273.424 2.910 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cc(N)cc[nH+]2)C1 ZINC000903949518 621486561 /nfs/dbraw/zinc/48/65/61/621486561.db2.gz BMHJLVRAWXUOAA-PBHICJAKSA-N 2 0 296.418 2.589 20 0 CFADRP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000903956691 621490945 /nfs/dbraw/zinc/49/09/45/621490945.db2.gz MYYNXECGLFGDFH-JHJVBQTASA-N 2 0 260.372 2.790 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973811 621492062 /nfs/dbraw/zinc/49/20/62/621492062.db2.gz ILBZHTCCAQCLHA-VXGBXAGGSA-N 2 0 282.815 2.684 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(Br)c1 ZINC000903974130 621492105 /nfs/dbraw/zinc/49/21/05/621492105.db2.gz MOEVNTRGVGHDIR-DGCLKSJQSA-N 2 0 297.240 2.784 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000903973758 621492280 /nfs/dbraw/zinc/49/22/80/621492280.db2.gz FPOKZVJWIMSWLZ-VXGBXAGGSA-N 2 0 281.469 2.776 20 0 CFADRP Cc1ncc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1-c1ccccc1 ZINC000903974149 621492308 /nfs/dbraw/zinc/49/23/08/621492308.db2.gz KEHUQRNBPFQLSO-GDBMZVCRSA-N 2 0 298.434 2.516 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975078 621492761 /nfs/dbraw/zinc/49/27/61/621492761.db2.gz WLLJYPZFUOCNSJ-IIAWOOMASA-N 2 0 278.415 2.982 20 0 CFADRP c1ccc([C@]23C[C@H]2C[N@@H+](CC2C[C@H]4CC[C@@H](C2)[NH2+]4)C3)cc1 ZINC000903978484 621494028 /nfs/dbraw/zinc/49/40/28/621494028.db2.gz HAGPKMAWXWZPEA-DNYQBBQESA-N 2 0 282.431 2.791 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000903979194 621494557 /nfs/dbraw/zinc/49/45/57/621494557.db2.gz YFRMHBRJOALRCI-FDYHWXHSSA-N 2 0 278.362 2.943 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967987 621496313 /nfs/dbraw/zinc/49/63/13/621496313.db2.gz OGIPNAGYAYGDAE-BZPMIXESSA-N 2 0 266.816 2.716 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)c1 ZINC000904305611 621569406 /nfs/dbraw/zinc/56/94/06/621569406.db2.gz QNMFCQBSDOQYSO-QGZVFWFLSA-N 2 0 276.424 2.695 20 0 CFADRP Cc1ccccc1OCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904305437 621569582 /nfs/dbraw/zinc/56/95/82/621569582.db2.gz NTKKTOKKCLGAMI-KRWDZBQOSA-N 2 0 276.424 2.695 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904308775 621570014 /nfs/dbraw/zinc/57/00/14/621570014.db2.gz WQAFMWAQHRWPDG-SFHVURJKSA-N 3 0 295.515 2.820 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000904316685 621572191 /nfs/dbraw/zinc/57/21/91/621572191.db2.gz PUZXQGSSUDMCNQ-SJLPKXTDSA-N 2 0 288.435 2.874 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000904316566 621572272 /nfs/dbraw/zinc/57/22/72/621572272.db2.gz PWGYYCNIPBXHKX-BHYGNILZSA-N 2 0 258.409 2.993 20 0 CFADRP COc1ccccc1CC[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904318770 621572751 /nfs/dbraw/zinc/57/27/51/621572751.db2.gz VUTZXQZKFYFKEE-QGZVFWFLSA-N 2 0 276.424 2.559 20 0 CFADRP CCS[C@H]1CCCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904320996 621573457 /nfs/dbraw/zinc/57/34/57/621573457.db2.gz SSPGVXFHTXZREP-GJZGRUSLSA-N 2 0 270.486 2.984 20 0 CFADRP CCCO[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904320424 621573627 /nfs/dbraw/zinc/57/36/27/621573627.db2.gz GTCQXXSNNIVTRS-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000904322722 621573969 /nfs/dbraw/zinc/57/39/69/621573969.db2.gz ILMNXTPLVSYUKQ-LXTVHRRPSA-N 2 0 268.445 2.639 20 0 CFADRP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322731 621574001 /nfs/dbraw/zinc/57/40/01/621574001.db2.gz ISQWOTWLWHWQNZ-NCZKRNLISA-N 2 0 262.372 2.741 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904322398 621574008 /nfs/dbraw/zinc/57/40/08/621574008.db2.gz BFFHTYCQWDKSGC-YJBOKZPZSA-N 2 0 288.435 2.874 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@]2(C)CCC[NH2+]C2)n1 ZINC000904321721 621574118 /nfs/dbraw/zinc/57/41/18/621574118.db2.gz DINHIRMHAMMDQX-DLBZAZTESA-N 2 0 273.424 2.917 20 0 CFADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904322356 621574369 /nfs/dbraw/zinc/57/43/69/621574369.db2.gz WYCFHMVMOFSTOH-UKPHBRMFSA-N 2 0 273.424 2.627 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000904324099 621574722 /nfs/dbraw/zinc/57/47/22/621574722.db2.gz UPMSQPBGCTWSCW-HZPDHXFCSA-N 2 0 281.488 2.558 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(C[C@H]([NH3+])CCC(C)(C)C)CC[C@@H]21 ZINC000904328021 621576101 /nfs/dbraw/zinc/57/61/01/621576101.db2.gz LQEPBDLICNCTIF-OAGGEKHMSA-N 2 0 281.488 2.556 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000904326785 621576279 /nfs/dbraw/zinc/57/62/79/621576279.db2.gz SHLFFLFWRRBFLG-XQQFMLRXSA-N 2 0 280.799 2.530 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326572 621576463 /nfs/dbraw/zinc/57/64/63/621576463.db2.gz MWDSDDSVNRJUCS-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP COc1ccccc1CC1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904338828 621577184 /nfs/dbraw/zinc/57/71/84/621577184.db2.gz VQILFMUPSCLKFD-WOVMCDHWSA-N 2 0 288.435 2.687 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000904334464 621577593 /nfs/dbraw/zinc/57/75/93/621577593.db2.gz WRBWCSMEXJITIC-YESZJQIVSA-N 2 0 289.467 2.567 20 0 CFADRP C[NH+]1CCC2(CCCN2C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904341980 621577827 /nfs/dbraw/zinc/57/78/27/621577827.db2.gz SVCNFVLMMTXECF-OAHLLOKOSA-N 2 0 281.488 2.700 20 0 CFADRP C[C@]1(C[NH+]2CCC(Cc3cccnc3)CC2)CCC[NH2+]C1 ZINC000904341542 621578277 /nfs/dbraw/zinc/57/82/77/621578277.db2.gz OKKLAXMLIFJPIN-SFHVURJKSA-N 2 0 287.451 2.726 20 0 CFADRP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000904344940 621578703 /nfs/dbraw/zinc/57/87/03/621578703.db2.gz BMGBMUOURJEJKV-JHNDHUHGSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904343505 621578789 /nfs/dbraw/zinc/57/87/89/621578789.db2.gz UTFXILIZQHDQEV-UHOFOFEASA-N 2 0 262.372 2.526 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904346353 621579739 /nfs/dbraw/zinc/57/97/39/621579739.db2.gz RJCQDWIYSBPEGH-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP C[C@]1(C[NH2+]Cc2cccc3c2CCCN3)CCC[NH2+]C1 ZINC000904355885 621581677 /nfs/dbraw/zinc/58/16/77/621581677.db2.gz XLYUFUXDMVSXLP-KRWDZBQOSA-N 2 0 273.424 2.524 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000904354581 621581773 /nfs/dbraw/zinc/58/17/73/621581773.db2.gz DMXMWNOWWGZBOE-DOTOQJQBSA-N 2 0 289.467 2.617 20 0 CFADRP CC(C)CCOc1ccccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904360163 621582095 /nfs/dbraw/zinc/58/20/95/621582095.db2.gz IPYKLMOUOODQEM-UHFFFAOYSA-N 2 0 276.424 2.938 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]C1CC(C[NH3+])C1 ZINC000904359483 621582387 /nfs/dbraw/zinc/58/23/87/621582387.db2.gz OWYKUOLKSNSHBV-UHFFFAOYSA-N 2 0 283.213 2.584 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000904360159 621582545 /nfs/dbraw/zinc/58/25/45/621582545.db2.gz IPTKHGARVQCSEL-BYNSBNAKSA-N 2 0 268.445 2.687 20 0 CFADRP C[NH2+]CCCN(C)Cc1ccc(C(F)F)c(F)c1 ZINC000904373172 621584850 /nfs/dbraw/zinc/58/48/50/621584850.db2.gz MBYHSJFNQCGKCB-UHFFFAOYSA-N 2 0 260.303 2.805 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000904363439 621585366 /nfs/dbraw/zinc/58/53/66/621585366.db2.gz FODPFFVRMMCQDH-INIZCTEOSA-N 2 0 264.388 2.656 20 0 CFADRP COc1ccccc1CC[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904364262 621585414 /nfs/dbraw/zinc/58/54/14/621585414.db2.gz KIERSNOXIKBUAH-OAHLLOKOSA-N 2 0 278.440 2.981 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904366368 621585839 /nfs/dbraw/zinc/58/58/39/621585839.db2.gz IRVHOOPMNHLVKH-SFHVURJKSA-N 3 0 295.515 2.724 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000904366883 621586058 /nfs/dbraw/zinc/58/60/58/621586058.db2.gz SJAYRILHQWDQNI-JGZJWPJOSA-N 2 0 288.313 2.541 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904376343 621587074 /nfs/dbraw/zinc/58/70/74/621587074.db2.gz PENGUOHSZUNWFQ-ZIAGYGMSSA-N 2 0 263.429 2.756 20 0 CFADRP CC(C)([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nc2ccccc2s1 ZINC000904381323 621588277 /nfs/dbraw/zinc/58/82/77/621588277.db2.gz ULOLEIXJJDGFOW-PHIMTYICSA-N 2 0 275.421 2.858 20 0 CFADRP CC1([NH+]2CCCCC2)CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904384398 621588282 /nfs/dbraw/zinc/58/82/82/621588282.db2.gz KPPLOIBAVGIVOJ-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000904405270 621590121 /nfs/dbraw/zinc/59/01/21/621590121.db2.gz JVKKWPWLYIUASZ-VIFPVBQESA-N 2 0 278.343 2.938 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncc(C(C)(C)C)s2)CC[C@H]1C[NH3+] ZINC000904409764 621591011 /nfs/dbraw/zinc/59/10/11/621591011.db2.gz HWMARDDUNOKPRR-RYUDHWBXSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@H]1C[NH3+] ZINC000904409383 621591404 /nfs/dbraw/zinc/59/14/04/621591404.db2.gz ASQVAJXFCUYWIT-ZJUUUORDSA-N 2 0 258.818 2.818 20 0 CFADRP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1-c1ccccc1 ZINC000904410542 621591847 /nfs/dbraw/zinc/59/18/47/621591847.db2.gz HGMTZDMVPRRCDW-ZBFHGGJFSA-N 2 0 298.434 2.597 20 0 CFADRP C[C@H]1C[N@H+](Cc2cnc(C(C)(C)C)s2)CC[C@H]1C[NH3+] ZINC000904410142 621591907 /nfs/dbraw/zinc/59/19/07/621591907.db2.gz BHUNNBUDLMSJED-RYUDHWBXSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC[C@@H]1C[NH3+] ZINC000904411876 621592416 /nfs/dbraw/zinc/59/24/16/621592416.db2.gz PJIZTCAADVHVOM-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@H]1C[NH3+] ZINC000904412576 621593025 /nfs/dbraw/zinc/59/30/25/621593025.db2.gz WRQSOMZSSGGIDQ-KBPBESRZSA-N 2 0 269.392 2.652 20 0 CFADRP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000904412315 621593435 /nfs/dbraw/zinc/59/34/35/621593435.db2.gz RZKOCJQOKNGWJH-HIFRSBDPSA-N 2 0 292.423 2.511 20 0 CFADRP CCn1nccc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904415994 621593815 /nfs/dbraw/zinc/59/38/15/621593815.db2.gz DRVDWCTYWOJPMQ-OAHLLOKOSA-N 2 0 290.455 2.505 20 0 CFADRP c1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000904416055 621593855 /nfs/dbraw/zinc/59/38/55/621593855.db2.gz FVJFWZIMGNFCLO-CYBMUJFWSA-N 2 0 279.453 2.745 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000904434316 621595703 /nfs/dbraw/zinc/59/57/03/621595703.db2.gz VGWSGQGZNITCSE-HLLBOEOZSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](C3CCOCC3)C2)CC[NH2+]1 ZINC000904434319 621595986 /nfs/dbraw/zinc/59/59/86/621595986.db2.gz VGWSGQGZNITCSE-VYDXJSESSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](CCc1ccccc1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420410 621596126 /nfs/dbraw/zinc/59/61/26/621596126.db2.gz NLMJQQBHFZFNHM-RYQLBKOJSA-N 2 0 272.436 2.797 20 0 CFADRP CC(C)[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000904420893 621596510 /nfs/dbraw/zinc/59/65/10/621596510.db2.gz XNYOIHSNQVVIBT-KSZLIROESA-N 2 0 272.436 2.968 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)CC[NH2+]1 ZINC000904474819 621601781 /nfs/dbraw/zinc/60/17/81/621601781.db2.gz KZMMYVMLELUDFY-LSDHHAIUSA-N 2 0 298.434 2.897 20 0 CFADRP C[NH+](C)CCOc1ccc(CNc2ccccc2C[NH3+])cc1 ZINC000904484452 621602315 /nfs/dbraw/zinc/60/23/15/621602315.db2.gz PGMQZKUTLYWRKF-UHFFFAOYSA-N 2 0 299.418 2.698 20 0 CFADRP CC[C@@](O)(C[NH2+]CCCCC[NH+]1CCCC1)C(F)(F)F ZINC000905269143 621734776 /nfs/dbraw/zinc/73/47/76/621734776.db2.gz UQLKUTYRAHVBGP-CYBMUJFWSA-N 2 0 296.377 2.546 20 0 CFADRP C[C@@H](c1nc(CC2CC[NH2+]CC2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000905311277 621738654 /nfs/dbraw/zinc/73/86/54/621738654.db2.gz SQECSYIBCMOPGP-UPJWGTAASA-N 2 0 292.427 2.546 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3CC[C@@H]4CCCC[C@H]4[NH2+]3)n2)CCCC1 ZINC000905305544 621746612 /nfs/dbraw/zinc/74/66/12/621746612.db2.gz NSGZJWPIKNLUQL-XQQFMLRXSA-N 2 0 290.411 2.781 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000905870800 621884174 /nfs/dbraw/zinc/88/41/74/621884174.db2.gz SXXWEZPKCMCFQE-MRXNPFEDSA-N 2 0 290.451 2.927 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911848203 622563751 /nfs/dbraw/zinc/56/37/51/622563751.db2.gz WBELXMIYIUANNA-SWLSCSKDSA-N 2 0 275.396 2.518 20 0 CFADRP C[C@H]([NH2+]CCN1CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000820806946 622760341 /nfs/dbraw/zinc/76/03/41/622760341.db2.gz VXBZICDOIQIETN-INIZCTEOSA-N 2 0 289.467 2.885 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820805813 622760526 /nfs/dbraw/zinc/76/05/26/622760526.db2.gz SFGDVZUENOCYLB-BBRMVZONSA-N 2 0 262.397 2.578 20 0 CFADRP Cc1noc(C)c1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820810049 622761956 /nfs/dbraw/zinc/76/19/56/622761956.db2.gz NPCFAUZOKPGVDT-VHRNVKJDSA-N 2 0 289.423 2.581 20 0 CFADRP CC[C@@H](COC)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000820811511 622763351 /nfs/dbraw/zinc/76/33/51/622763351.db2.gz RIQLCQJGLYDRSN-CJNGLKHVSA-N 2 0 264.413 2.824 20 0 CFADRP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H]2CCO[C@@H]21 ZINC000820810757 622763382 /nfs/dbraw/zinc/76/33/82/622763382.db2.gz DDTKJOVRMSLOEM-KSCZYGNFSA-N 2 0 290.451 2.547 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820815243 622764876 /nfs/dbraw/zinc/76/48/76/622764876.db2.gz QSBYWKLVAWEYSY-WBVHZDCISA-N 2 0 282.472 2.780 20 0 CFADRP OC1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000151364172 622902499 /nfs/dbraw/zinc/90/24/99/622902499.db2.gz QCOFBITUFZARIU-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000165072355 622979169 /nfs/dbraw/zinc/97/91/69/622979169.db2.gz JQXLXHGKCWRKSV-ZDUSSCGKSA-N 2 0 269.392 2.794 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000056522046 622983338 /nfs/dbraw/zinc/98/33/38/622983338.db2.gz CMTZLKFLDLRQDX-QGZVFWFLSA-N 2 0 294.414 2.523 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cs1 ZINC000226314817 623067878 /nfs/dbraw/zinc/06/78/78/623067878.db2.gz YVUROYJGJNNUHD-HRCADAONSA-N 2 0 293.480 2.894 20 0 CFADRP C[C@@H](CN[C@@H]1CCc2cccnc21)C[NH+]1CCCCC1 ZINC000226815679 623090217 /nfs/dbraw/zinc/09/02/17/623090217.db2.gz FKRFKRCTLABQRA-GOEBONIOSA-N 2 0 273.424 2.781 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000227673677 623115492 /nfs/dbraw/zinc/11/54/92/623115492.db2.gz SMRAHRNYMXDVTE-YJBOKZPZSA-N 2 0 290.451 2.948 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc4ccccc34)C[C@H]21 ZINC000228536096 623148488 /nfs/dbraw/zinc/14/84/88/623148488.db2.gz BDIKPDOCHHLHID-DAXOMENPSA-N 2 0 270.376 2.992 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)s1 ZINC000229059806 623180381 /nfs/dbraw/zinc/18/03/81/623180381.db2.gz UKXQVMHKPRGBSX-YGRLFVJLSA-N 2 0 252.427 2.782 20 0 CFADRP CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000229351216 623199953 /nfs/dbraw/zinc/19/99/53/623199953.db2.gz AXZAAUWIZXTRRS-RFQIPJPRSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2F)C[C@H](C)O1 ZINC000062252907 623254699 /nfs/dbraw/zinc/25/46/99/623254699.db2.gz LKXNADXAWUTCKF-GJZGRUSLSA-N 2 0 294.414 2.805 20 0 CFADRP CN(Cc1ccc(F)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862360 623300911 /nfs/dbraw/zinc/30/09/11/623300911.db2.gz XXMWBWNJBORPBS-OAHLLOKOSA-N 2 0 250.361 2.647 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCOc2ccccc2C1 ZINC000063013457 623313718 /nfs/dbraw/zinc/31/37/18/623313718.db2.gz FFUWXCYATGYLSS-UHFFFAOYSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCSC(C)(C)CC2)CC[NH2+]1 ZINC000231053042 623320565 /nfs/dbraw/zinc/32/05/65/623320565.db2.gz DLZJPSASRDMCMJ-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP Clc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000063200849 623332642 /nfs/dbraw/zinc/33/26/42/623332642.db2.gz PENPKHSTQPOKDY-AWEZNQCLSA-N 2 0 279.815 2.699 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3ccnc(Cl)c3F)CC[C@@H]21 ZINC000823489985 623333379 /nfs/dbraw/zinc/33/33/79/623333379.db2.gz ROPPTQJANLNBPL-YPMHNXCESA-N 2 0 297.805 2.790 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000089139311 623571776 /nfs/dbraw/zinc/57/17/76/623571776.db2.gz MQZBTVWIMAKACM-FZMZJTMJSA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000089146139 623573843 /nfs/dbraw/zinc/57/38/43/623573843.db2.gz KSUHFYMBZNSEJL-WFASDCNBSA-N 2 0 268.351 2.614 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000089147608 623575286 /nfs/dbraw/zinc/57/52/86/623575286.db2.gz AJQSXZSTVMSZAB-IAGOWNOFSA-N 2 0 293.499 2.892 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152425453 623702650 /nfs/dbraw/zinc/70/26/50/623702650.db2.gz PXZFAGRZCVYBFL-STQMWFEESA-N 2 0 270.486 2.981 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnn3c2CCC3)cc1 ZINC000825917097 623769062 /nfs/dbraw/zinc/76/90/62/623769062.db2.gz WDUUOMNFZRBSHN-UHFFFAOYSA-N 2 0 298.434 2.523 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000929842413 623917925 /nfs/dbraw/zinc/91/79/25/623917925.db2.gz CUVMUKHFFLKCEB-IAGOWNOFSA-N 2 0 288.435 2.920 20 0 CFADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@]3(C)CC3(Cl)Cl)C2)C1 ZINC000830027944 624603012 /nfs/dbraw/zinc/60/30/12/624603012.db2.gz CMXVUWHYJBTVSM-OLZOCXBDSA-N 2 0 291.266 2.988 20 0 CFADRP CCCC[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000920409823 624720047 /nfs/dbraw/zinc/72/00/47/624720047.db2.gz JNMVQECDDXBNNF-HNNXBMFYSA-N 2 0 276.424 2.797 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000921469122 624884863 /nfs/dbraw/zinc/88/48/63/624884863.db2.gz AYUICCGHBHLZOU-KBPBESRZSA-N 2 0 258.475 2.982 20 0 CFADRP CCCCC[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000232980420 624917030 /nfs/dbraw/zinc/91/70/30/624917030.db2.gz SDVJOEXAEAYXTH-AWEZNQCLSA-N 2 0 256.434 2.561 20 0 CFADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H](C)O)ccc1OC ZINC000182177520 625266385 /nfs/dbraw/zinc/26/63/85/625266385.db2.gz IVRRCWRRPFHUFY-KBPBESRZSA-N 2 0 294.439 2.568 20 0 CFADRP O=c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc[nH]1 ZINC000921501217 625782674 /nfs/dbraw/zinc/78/26/74/625782674.db2.gz IUPHLQLBERWJMY-UHFFFAOYSA-N 2 0 297.402 2.673 20 0 CFADRP Cc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(N)[nH+]1 ZINC000075605664 625997445 /nfs/dbraw/zinc/99/74/45/625997445.db2.gz WXTSRSUTHSEUOO-OAHLLOKOSA-N 2 0 297.406 2.616 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000921689551 626087723 /nfs/dbraw/zinc/08/77/23/626087723.db2.gz SUZYGFXRYUOGPI-XMTFNYHQSA-N 2 0 294.483 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)[C@H](C)C1 ZINC000921795321 626125633 /nfs/dbraw/zinc/12/56/33/626125633.db2.gz VLRFXSARZGPNOR-KEYYUXOJSA-N 2 0 288.435 2.830 20 0 CFADRP C[NH+](C)CC1CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921920306 626178205 /nfs/dbraw/zinc/17/82/05/626178205.db2.gz KTFNWUNZFGVSMJ-VSQHIIRESA-N 2 0 294.483 2.902 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000922192159 626236714 /nfs/dbraw/zinc/23/67/14/626236714.db2.gz JYIJRJDLLJONEX-UHFFFAOYSA-N 2 0 296.846 2.903 20 0 CFADRP Cc1ccc(O)c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000922846317 626379437 /nfs/dbraw/zinc/37/94/37/626379437.db2.gz BWQVDFBAVRELCV-UHFFFAOYSA-N 2 0 289.423 2.592 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000922846387 626379525 /nfs/dbraw/zinc/37/95/25/626379525.db2.gz ZCYSIPJYUSGIEB-VUROTCPHSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922845480 626379691 /nfs/dbraw/zinc/37/96/91/626379691.db2.gz RCBLPZLHAYZZMO-QQFBHYJXSA-N 2 0 268.445 2.797 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccccn2)CC1 ZINC000922848294 626380000 /nfs/dbraw/zinc/38/00/00/626380000.db2.gz QMEXVYXDZKZEEI-UHFFFAOYSA-N 2 0 259.397 2.578 20 0 CFADRP Cn1c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cnc1Cl ZINC000922847279 626380139 /nfs/dbraw/zinc/38/01/39/626380139.db2.gz YZVQQTUKOMYZSA-UHFFFAOYSA-N 2 0 296.846 2.570 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(c2ccccc2)C1 ZINC000925368652 626410584 /nfs/dbraw/zinc/41/05/84/626410584.db2.gz YDVMOYGQXGHGCX-BOAJJUGWSA-N 2 0 270.420 2.862 20 0 CFADRP C([C@H]1CC2(C[NH2+]C2)CO1)[NH+]1CCC(C2CCCCC2)CC1 ZINC000923307213 626464180 /nfs/dbraw/zinc/46/41/80/626464180.db2.gz ZKTXIFVJQSUYHQ-QGZVFWFLSA-N 2 0 292.467 2.657 20 0 CFADRP CC[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303824 626464428 /nfs/dbraw/zinc/46/44/28/626464428.db2.gz RBABRJQCULGKNT-AWEZNQCLSA-N 2 0 294.826 2.540 20 0 CFADRP CCOC[C@H]1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923316064 626465031 /nfs/dbraw/zinc/46/50/31/626465031.db2.gz POIFAVHRCJMGBB-YNBOMUFVSA-N 2 0 280.456 2.656 20 0 CFADRP OCCC[N@H+](CCC[NH2+]C1CC1)[C@H]1CCc2ccccc21 ZINC000923317096 626465363 /nfs/dbraw/zinc/46/53/63/626465363.db2.gz YOEFTIZNUIWKRY-SFHVURJKSA-N 2 0 288.435 2.500 20 0 CFADRP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315895 626465380 /nfs/dbraw/zinc/46/53/80/626465380.db2.gz MDWVKQPXVVMRCY-HOTGVXAUSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1cccc(F)c1 ZINC000923352293 626468599 /nfs/dbraw/zinc/46/85/99/626468599.db2.gz CODDDVFRZSBDBW-OAHLLOKOSA-N 2 0 250.361 2.572 20 0 CFADRP CCCCCC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923364809 626468768 /nfs/dbraw/zinc/46/87/68/626468768.db2.gz OYOYVLYJVPHKLI-IAGOWNOFSA-N 2 0 282.472 2.782 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923361114 626469101 /nfs/dbraw/zinc/46/91/01/626469101.db2.gz CXJZPUIJORIOCS-ULQDDVLXSA-N 2 0 282.472 2.639 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923362933 626469227 /nfs/dbraw/zinc/46/92/27/626469227.db2.gz QVOAXJCSKJLBPS-HZPDHXFCSA-N 2 0 276.399 2.690 20 0 CFADRP CCc1onc(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000923383943 626469854 /nfs/dbraw/zinc/46/98/54/626469854.db2.gz PISSPHBRRBMNST-GFCCVEGCSA-N 2 0 277.412 2.509 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923388011 626470323 /nfs/dbraw/zinc/47/03/23/626470323.db2.gz MPIMOECCFMAMJB-ALOPSCKCSA-N 2 0 293.499 2.713 20 0 CFADRP O[C@@H]1CCN(CCC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000923400968 626470807 /nfs/dbraw/zinc/47/08/07/626470807.db2.gz PFZMSCBYYFJILZ-HZPDHXFCSA-N 2 0 294.826 2.590 20 0 CFADRP Cc1nc(CN2C[C@@H](C)[C@@H](C[NH3+])C2)sc1C(C)(C)C ZINC000923411579 626471365 /nfs/dbraw/zinc/47/13/65/626471365.db2.gz NQTAUQJMTUYIOK-PWSUYJOCSA-N 2 0 281.469 2.776 20 0 CFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448244 626473405 /nfs/dbraw/zinc/47/34/05/626473405.db2.gz AHDMPZRTAYEKOP-CJNGLKHVSA-N 2 0 292.398 2.717 20 0 CFADRP C[C@H](c1cccc(F)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448245 626473557 /nfs/dbraw/zinc/47/35/57/626473557.db2.gz AHDMPZRTAYEKOP-CZUORRHYSA-N 2 0 292.398 2.717 20 0 CFADRP C[C@@H](c1ccccc1F)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450738 626474079 /nfs/dbraw/zinc/47/40/79/626474079.db2.gz WZCOVWYPPFCJAF-UONOGXRCSA-N 2 0 292.398 2.717 20 0 CFADRP [NH3+][C@@]1(CO)CCCN(C2c3ccccc3-c3ccccc32)C1 ZINC000923471190 626474847 /nfs/dbraw/zinc/47/48/47/626474847.db2.gz DFQWKJAVQRXQHE-IBGZPJMESA-N 2 0 294.398 2.542 20 0 CFADRP [NH3+]CC[C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000923480896 626475985 /nfs/dbraw/zinc/47/59/85/626475985.db2.gz MPULTJOMSUFKBK-LRDDRELGSA-N 2 0 262.372 2.874 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000923482094 626476253 /nfs/dbraw/zinc/47/62/53/626476253.db2.gz OEELMXKFQLZWCQ-ZDUSSCGKSA-N 2 0 287.432 2.981 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@@H]1C[NH3+] ZINC000923495717 626476282 /nfs/dbraw/zinc/47/62/82/626476282.db2.gz WUCHGDBRFMDVRB-DZGCQCFKSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923483001 626476394 /nfs/dbraw/zinc/47/63/94/626476394.db2.gz LAZLYNSZASSCNU-NWDGAFQWSA-N 2 0 265.401 2.704 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923488369 626476543 /nfs/dbraw/zinc/47/65/43/626476543.db2.gz DUVALTSDTHFXGA-DZGCQCFKSA-N 2 0 275.440 2.930 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923488370 626476559 /nfs/dbraw/zinc/47/65/59/626476559.db2.gz DUVALTSDTHFXGA-HIFRSBDPSA-N 2 0 275.440 2.930 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1C[NH3+] ZINC000923493347 626476799 /nfs/dbraw/zinc/47/67/99/626476799.db2.gz SOHSZESDJXOWDQ-DOMZBBRYSA-N 2 0 257.381 2.585 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccnc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923492721 626476801 /nfs/dbraw/zinc/47/68/01/626476801.db2.gz ZBAAUKLHLOEZOS-QWRGUYRKSA-N 2 0 287.329 2.517 20 0 CFADRP C[C@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@@H]1C[NH3+] ZINC000923494396 626476830 /nfs/dbraw/zinc/47/68/30/626476830.db2.gz MNTJBPQEKKSCHT-QWHCGFSZSA-N 2 0 282.378 2.814 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC000923494875 626476842 /nfs/dbraw/zinc/47/68/42/626476842.db2.gz PVUHKCMPVJPWFT-MFKMUULPSA-N 2 0 252.427 2.782 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Br)c2)CC[C@@H]1C[NH3+] ZINC000923502621 626476892 /nfs/dbraw/zinc/47/68/92/626476892.db2.gz XUOOEFFRDGZLGA-DGCLKSJQSA-N 2 0 297.240 2.866 20 0 CFADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923502757 626476990 /nfs/dbraw/zinc/47/69/90/626476990.db2.gz ZJFPVTUZSTURNT-OLZOCXBDSA-N 2 0 250.361 2.551 20 0 CFADRP C[C@H]1C[N@H+](Cc2sccc2Cl)CC[C@@H]1C[NH3+] ZINC000923494921 626476998 /nfs/dbraw/zinc/47/69/98/626476998.db2.gz QNHYXDGVYMKQQO-VHSXEESVSA-N 2 0 258.818 2.818 20 0 CFADRP OCCCCCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923503363 626477025 /nfs/dbraw/zinc/47/70/25/626477025.db2.gz JYUDSNIURIJPGM-INIZCTEOSA-N 2 0 282.472 2.641 20 0 CFADRP C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3)o2)CC[C@@H]1C[NH3+] ZINC000923497868 626477244 /nfs/dbraw/zinc/47/72/44/626477244.db2.gz MWAIZIVSKQMZBH-DZGCQCFKSA-N 2 0 285.391 2.758 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC[C@@H]1C[NH3+] ZINC000923500608 626477277 /nfs/dbraw/zinc/47/72/77/626477277.db2.gz WEFUNNKATDWWIJ-GHMZBOCLSA-N 2 0 270.779 2.896 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500336 626477355 /nfs/dbraw/zinc/47/73/55/626477355.db2.gz WUNRZLWOEDRZCP-DOTOQJQBSA-N 2 0 260.425 2.844 20 0 CFADRP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499351 626477393 /nfs/dbraw/zinc/47/73/93/626477393.db2.gz SCRRQRONTKCWET-MBNYWOFBSA-N 2 0 250.361 2.803 20 0 CFADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500770 626477526 /nfs/dbraw/zinc/47/75/26/626477526.db2.gz YASTZZGCQVTKHF-GJZGRUSLSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923500230 626477531 /nfs/dbraw/zinc/47/75/31/626477531.db2.gz VRWIQHHQLULCSV-NWDGAFQWSA-N 2 0 284.806 2.938 20 0 CFADRP C[C@H]1C[N@H+](CCOC2CCCCCC2)CC[C@H]1C[NH3+] ZINC000923500825 626477559 /nfs/dbraw/zinc/47/75/59/626477559.db2.gz YINTUTBZQNXLOB-GJZGRUSLSA-N 2 0 268.445 2.643 20 0 CFADRP C[C@@H]1C[N@H+](CCOC2CCCCCC2)CC[C@@H]1C[NH3+] ZINC000923500826 626477598 /nfs/dbraw/zinc/47/75/98/626477598.db2.gz YINTUTBZQNXLOB-HUUCEWRRSA-N 2 0 268.445 2.643 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC000923505251 626477699 /nfs/dbraw/zinc/47/76/99/626477699.db2.gz ZDSBTGNORADEOC-GXTWGEPZSA-N 2 0 264.438 2.825 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505416 626477716 /nfs/dbraw/zinc/47/77/16/626477716.db2.gz CGLNSTYZRQVVPF-ZMSDIMECSA-N 2 0 280.456 2.513 20 0 CFADRP C([C@@H]1CCCCO1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505709 626477758 /nfs/dbraw/zinc/47/77/58/626477758.db2.gz DCRFLHRCYFBPOL-WBVHZDCISA-N 2 0 280.456 2.657 20 0 CFADRP CC(C)OCCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506469 626477761 /nfs/dbraw/zinc/47/77/61/626477761.db2.gz WYNXYPLQQJNMRF-MRXNPFEDSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@H]1C[N@H+](Cc2coc(-c3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923505118 626477802 /nfs/dbraw/zinc/47/78/02/626477802.db2.gz YPOSUPZBFOECRZ-ZFWWWQNUSA-N 2 0 285.391 2.758 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)ccn1 ZINC000923509050 626478024 /nfs/dbraw/zinc/47/80/24/626478024.db2.gz YTNIRFPCGPVBDN-MRXNPFEDSA-N 2 0 273.424 2.683 20 0 CFADRP C([C@H]1C[C@@]12CCOC2)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508153 626478041 /nfs/dbraw/zinc/47/80/41/626478041.db2.gz INAJIIPVVXYDPA-KBAYOESNSA-N 2 0 292.467 2.515 20 0 CFADRP C(=C/[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)\c1ccccc1 ZINC000923525974 626478522 /nfs/dbraw/zinc/47/85/22/626478522.db2.gz MBPUUCOWGOSDRO-CWDJHMJFSA-N 2 0 298.430 2.685 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H](O)C2CC2)CC1)CC(C)C ZINC000838911452 626513468 /nfs/dbraw/zinc/51/34/68/626513468.db2.gz BAQCPDUELRHHJK-SFHVURJKSA-N 2 0 296.499 2.837 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000103340442 626529666 /nfs/dbraw/zinc/52/96/66/626529666.db2.gz RHEULGWEEYTSNZ-ZDUSSCGKSA-N 2 0 279.428 2.696 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000757870880 626565893 /nfs/dbraw/zinc/56/58/93/626565893.db2.gz AXMXMHUIQBNXHQ-UHFFFAOYSA-N 2 0 269.392 2.775 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CCSC2)cc1 ZINC000809738943 626660043 /nfs/dbraw/zinc/66/00/43/626660043.db2.gz QIOSLSIAMMXTPN-MRXNPFEDSA-N 2 0 278.465 2.933 20 0 CFADRP COc1ccc2c(NCC3=CC[N@H+](C)CC3)cc[nH+]c2c1 ZINC000760579153 626757133 /nfs/dbraw/zinc/75/71/33/626757133.db2.gz GXJSJWVGQGWSSQ-UHFFFAOYSA-N 2 0 283.375 2.917 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC[NH+]2CCCC2)C1 ZINC000760840774 626776241 /nfs/dbraw/zinc/77/62/41/626776241.db2.gz OSFFREOBIRITSV-ZWKOTPCHSA-N 2 0 293.499 2.669 20 0 CFADRP CCCC[C@@H](COC)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765254486 627126290 /nfs/dbraw/zinc/12/62/90/627126290.db2.gz MZCRHURVUKYORC-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]C[C@H](C)N1CCCCC1 ZINC000765253009 627126407 /nfs/dbraw/zinc/12/64/07/627126407.db2.gz KOWVCFBMENBGRU-GJZGRUSLSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000765261259 627127007 /nfs/dbraw/zinc/12/70/07/627127007.db2.gz IMJVZLBKNYRUQU-MRXNPFEDSA-N 2 0 296.842 2.836 20 0 CFADRP COc1ccc2c(c1)[nH+]ccc2N1CCC([NH+](C)C)CC1 ZINC000765470314 627140506 /nfs/dbraw/zinc/14/05/06/627140506.db2.gz ZMPDYPZMLNSZFJ-UHFFFAOYSA-N 2 0 285.391 2.774 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000765849044 627160713 /nfs/dbraw/zinc/16/07/13/627160713.db2.gz MJBYSPYNTBDQIY-GOEBONIOSA-N 2 0 275.440 2.715 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000766027256 627172390 /nfs/dbraw/zinc/17/23/90/627172390.db2.gz GCBGVTGTJGIBEM-GDZNZVCISA-N 2 0 294.414 2.568 20 0 CFADRP COC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000766514846 627206991 /nfs/dbraw/zinc/20/69/91/627206991.db2.gz ZJJKTYODPCNYKY-OFLPRAFFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](C[NH2+]C1CC(C(F)F)C1)C[NH+]1CCCCC1 ZINC000768676446 627363911 /nfs/dbraw/zinc/36/39/11/627363911.db2.gz CZSOVWXSXXEVSN-PNESKVBLSA-N 2 0 260.372 2.742 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCF)CC1)CC1CC1 ZINC000771474736 627606684 /nfs/dbraw/zinc/60/66/84/627606684.db2.gz DSNATXUWWNCIFK-UHFFFAOYSA-N 2 0 256.409 2.790 20 0 CFADRP C[C@@H]([NH2+]CC1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000773007503 627767574 /nfs/dbraw/zinc/76/75/74/627767574.db2.gz GRRJHTDQRMWBEI-CQSZACIVSA-N 2 0 272.436 2.721 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)CC1 ZINC000852007032 634625888 /nfs/dbraw/zinc/62/58/88/634625888.db2.gz JCYIOXXAOJPFDD-MUJYYYPQSA-N 2 0 262.441 2.840 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000776365594 628136514 /nfs/dbraw/zinc/13/65/14/628136514.db2.gz WYATWDJDDIGGDI-QWHCGFSZSA-N 2 0 293.480 2.842 20 0 CFADRP C[C@@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000779343370 628375579 /nfs/dbraw/zinc/37/55/79/628375579.db2.gz XHLCZPXGYZKEPN-JKSUJKDBSA-N 2 0 290.451 2.922 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000779342398 628375706 /nfs/dbraw/zinc/37/57/06/628375706.db2.gz RJDKZVBYVJAHBY-JKSUJKDBSA-N 2 0 290.451 2.779 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780287639 628451385 /nfs/dbraw/zinc/45/13/85/628451385.db2.gz SJTVYUSKLPCCOF-GDBMZVCRSA-N 2 0 258.409 2.600 20 0 CFADRP CN(C)c1ccc(N2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000780724165 628489288 /nfs/dbraw/zinc/48/92/88/628489288.db2.gz JMUNOXUFQBIJDF-UHFFFAOYSA-N 2 0 273.424 2.864 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000783241914 628691839 /nfs/dbraw/zinc/69/18/39/628691839.db2.gz YFJRHIBUMRNJDI-YOEHRIQHSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000783244692 628692345 /nfs/dbraw/zinc/69/23/45/628692345.db2.gz HTJKWWWPFSOBBY-ABAIWWIYSA-N 2 0 250.361 2.775 20 0 CFADRP COC[C@@H](C)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000783637570 628729225 /nfs/dbraw/zinc/72/92/25/628729225.db2.gz HIECCDDZKFUTFQ-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CCC[C@H]1C ZINC000786831679 628981316 /nfs/dbraw/zinc/98/13/16/628981316.db2.gz YTVAKKVGWBQTQQ-VYDXJSESSA-N 2 0 276.424 2.837 20 0 CFADRP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC000788482632 629073020 /nfs/dbraw/zinc/07/30/20/629073020.db2.gz ODMPSOICROGQPK-MAUKXSAKSA-N 2 0 288.435 2.790 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000788476958 629073274 /nfs/dbraw/zinc/07/32/74/629073274.db2.gz UJGKUENWDBXHDV-QGZVFWFLSA-N 2 0 258.409 2.818 20 0 CFADRP COc1ccccc1CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000788484057 629074063 /nfs/dbraw/zinc/07/40/63/629074063.db2.gz VVRPYEABLHWOOB-UHFFFAOYSA-N 2 0 276.424 2.511 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788489380 629074689 /nfs/dbraw/zinc/07/46/89/629074689.db2.gz OVYRIHDNSDXBQI-OAHLLOKOSA-N 2 0 276.428 2.505 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000788672895 629090330 /nfs/dbraw/zinc/09/03/30/629090330.db2.gz SYMGPWLENVZYCQ-HUUCEWRRSA-N 2 0 291.439 2.806 20 0 CFADRP C[C@@H](CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1)[NH+]1CCCCC1 ZINC000788736295 629095403 /nfs/dbraw/zinc/09/54/03/629095403.db2.gz FMZPNAWPMQDWNZ-KBPBESRZSA-N 2 0 277.412 2.702 20 0 CFADRP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(C)o1 ZINC000789558881 629166965 /nfs/dbraw/zinc/16/69/65/629166965.db2.gz DBDPRCISGPYOTI-UHFFFAOYSA-N 2 0 262.397 2.957 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C)nn2C)CC1 ZINC000793531642 629563560 /nfs/dbraw/zinc/56/35/60/629563560.db2.gz DRCGHXRESRSUPP-CQSZACIVSA-N 2 0 278.444 2.501 20 0 CFADRP C[C@@H]1CCCN1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000795942776 629853097 /nfs/dbraw/zinc/85/30/97/629853097.db2.gz IQPAQRRGGUJEKV-OAHLLOKOSA-N 2 0 288.435 2.628 20 0 CFADRP OC1CCC([NH2+]CCCCCCC[NH+]2CCCC2)CC1 ZINC000796749371 629959469 /nfs/dbraw/zinc/95/94/69/629959469.db2.gz XIPSVLBHTBZSQY-UHFFFAOYSA-N 2 0 282.472 2.926 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796792749 629968205 /nfs/dbraw/zinc/96/82/05/629968205.db2.gz ITEUTXWMLDYGPG-IKGGRYGDSA-N 2 0 273.424 2.561 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852568147 634783788 /nfs/dbraw/zinc/78/37/88/634783788.db2.gz UTSNJAVAEGVHSZ-DOTOQJQBSA-N 2 0 275.440 2.724 20 0 CFADRP Cc1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000797839933 630111376 /nfs/dbraw/zinc/11/13/76/630111376.db2.gz AKQULOYBDGUAGT-CQSZACIVSA-N 2 0 289.427 2.576 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000799191006 630285639 /nfs/dbraw/zinc/28/56/39/630285639.db2.gz GZMIYHBZBUKAQA-CVEARBPZSA-N 2 0 273.424 2.745 20 0 CFADRP CC(C)OC[C@H](C)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000800224730 630361503 /nfs/dbraw/zinc/36/15/03/630361503.db2.gz JPSUGUAHEOPLJE-UONOGXRCSA-N 2 0 267.417 2.701 20 0 CFADRP [NH3+]C[C@H]1CCC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000852743779 634819755 /nfs/dbraw/zinc/81/97/55/634819755.db2.gz KCLCJBCQWPQFFY-GDBMZVCRSA-N 2 0 258.409 2.777 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000852747981 634821928 /nfs/dbraw/zinc/82/19/28/634821928.db2.gz FHJNJBDQKCZREY-IAGOWNOFSA-N 2 0 280.456 2.657 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852754582 634825727 /nfs/dbraw/zinc/82/57/27/634825727.db2.gz WXUBFRCLLKWWNV-KRWDZBQOSA-N 3 0 281.488 2.607 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCCCCC[NH3+] ZINC000843126230 630804532 /nfs/dbraw/zinc/80/45/32/630804532.db2.gz DVDMCKDJGRSYMI-CYBMUJFWSA-N 2 0 252.377 2.865 20 0 CFADRP CCSCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738890 631275181 /nfs/dbraw/zinc/27/51/81/631275181.db2.gz NXTSGIGFFFFGGG-UHFFFAOYSA-N 2 0 266.454 2.933 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(Cl)nc2)CC[NH2+]1 ZINC000841004770 631302804 /nfs/dbraw/zinc/30/28/04/631302804.db2.gz QDPGHPCGYSTDRO-NEPJUHHUSA-N 2 0 267.804 2.555 20 0 CFADRP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC000841006127 631302889 /nfs/dbraw/zinc/30/28/89/631302889.db2.gz BGUIVJVSBHXZSK-ZLDLUXBVSA-N 2 0 263.385 2.508 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000841009356 631304317 /nfs/dbraw/zinc/30/43/17/631304317.db2.gz NKAQQYMCQPLOGB-HNNXBMFYSA-N 2 0 290.432 2.633 20 0 CFADRP CCCCn1nc(C)c(CNC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000841033357 631313043 /nfs/dbraw/zinc/31/30/43/631313043.db2.gz RMBCZGRPYHDAGR-CYBMUJFWSA-N 2 0 298.862 2.734 20 0 CFADRP COc1c(C)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1C ZINC000841057275 631323836 /nfs/dbraw/zinc/32/38/36/631323836.db2.gz IQRQWZFBRAQZPV-OAHLLOKOSA-N 2 0 262.397 2.544 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H](C)CCC[NH3+])oc21 ZINC000841078379 631332274 /nfs/dbraw/zinc/33/22/74/631332274.db2.gz CDANTHUFPGGALT-NSHDSACASA-N 2 0 262.353 2.658 20 0 CFADRP CCCCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1Cl ZINC000841084443 631333991 /nfs/dbraw/zinc/33/39/91/631333991.db2.gz JKRATZHXEIYDHD-QWHCGFSZSA-N 2 0 298.862 2.862 20 0 CFADRP COc1cccc2cc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)oc21 ZINC000841085144 631334300 /nfs/dbraw/zinc/33/43/00/631334300.db2.gz VPTKBBPEKVIMQD-AAEUAGOBSA-N 2 0 274.364 2.658 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000841096011 631338194 /nfs/dbraw/zinc/33/81/94/631338194.db2.gz QMNLUYMWQFLLBA-NIKGAXFTSA-N 2 0 298.430 2.993 20 0 CFADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000842471767 631639276 /nfs/dbraw/zinc/63/92/76/631639276.db2.gz YGPZOCQMRXMSDV-GJZGRUSLSA-N 2 0 258.409 2.995 20 0 CFADRP [NH3+]CCCCCCCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000842472480 631639470 /nfs/dbraw/zinc/63/94/70/631639470.db2.gz HDKOEOWQOFXTQE-CVEARBPZSA-N 2 0 267.461 2.502 20 0 CFADRP CC[C@@H]1C[N@H+](CCCCCCC[NH3+])[C@H](CC)CN1C(C)=O ZINC000842472602 631639789 /nfs/dbraw/zinc/63/97/89/631639789.db2.gz FWWYPUPZLXNQHT-IAGOWNOFSA-N 2 0 297.487 2.617 20 0 CFADRP COCC1(C)CC[NH+](CCCCCCC[NH3+])CC1 ZINC000842476029 631640548 /nfs/dbraw/zinc/64/05/48/631640548.db2.gz DSQNKTRFKIWWOK-UHFFFAOYSA-N 2 0 256.434 2.644 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000842474857 631640628 /nfs/dbraw/zinc/64/06/28/631640628.db2.gz ZPWHGPWILMLDKU-FUHWJXTLSA-N 2 0 288.435 2.838 20 0 CFADRP Cc1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000842474856 631641027 /nfs/dbraw/zinc/64/10/27/631641027.db2.gz ZPWHGPWILMLDKU-AEFFLSMTSA-N 2 0 288.435 2.838 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000842478770 631641619 /nfs/dbraw/zinc/64/16/19/631641619.db2.gz OZXHTUFOAGHVTH-QZTJIDSGSA-N 2 0 289.467 2.931 20 0 CFADRP CN1CC[C@@H]([NH2+]CCCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000842478768 631642007 /nfs/dbraw/zinc/64/20/07/631642007.db2.gz OZXHTUFOAGHVTH-MSOLQXFVSA-N 2 0 289.467 2.931 20 0 CFADRP CCCCCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000842477961 631642042 /nfs/dbraw/zinc/64/20/42/631642042.db2.gz CRHGJQJRJQHKEY-JKSUJKDBSA-N 2 0 268.445 2.785 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc2ccccc2[nH]c1=O ZINC000843054179 631817687 /nfs/dbraw/zinc/81/76/87/631817687.db2.gz QSAADIBJVBUTJS-MQVJKMGUSA-N 2 0 297.402 2.785 20 0 CFADRP C[N@H+](Cc1cnc([C@H]2CCCO2)s1)C1CCC([NH3+])CC1 ZINC000843056065 631819037 /nfs/dbraw/zinc/81/90/37/631819037.db2.gz WXAZPDIFIFXCBS-ORHYLEIMSA-N 2 0 295.452 2.696 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000843103823 631836000 /nfs/dbraw/zinc/83/60/00/631836000.db2.gz DPCJDMJBLHVNBZ-UHFFFAOYSA-N 2 0 284.407 2.540 20 0 CFADRP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843119056 631839891 /nfs/dbraw/zinc/83/98/91/631839891.db2.gz VBWFORVFNSPEGT-CRAIPNDOSA-N 2 0 286.419 2.628 20 0 CFADRP Clc1cscc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120182 631841952 /nfs/dbraw/zinc/84/19/52/631841952.db2.gz NDNIYZBBIHGGKW-UHFFFAOYSA-N 2 0 270.829 2.977 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000843127208 631846679 /nfs/dbraw/zinc/84/66/79/631846679.db2.gz BWORKEAWZBEXLG-UHFFFAOYSA-N 2 0 290.386 2.825 20 0 CFADRP Cn1cc(C[NH2+]CCCCCC[NH3+])c(-c2cccs2)n1 ZINC000843128514 631847583 /nfs/dbraw/zinc/84/75/83/631847583.db2.gz WVJWGTCFMIBXCD-UHFFFAOYSA-N 2 0 292.452 2.757 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000843129740 631849396 /nfs/dbraw/zinc/84/93/96/631849396.db2.gz ZJPSPJBNBJCCKI-OWCLPIDISA-N 2 0 280.456 2.702 20 0 CFADRP CCC[NH+](CCC)CCCc1nc([C@H]([NH3+])C(C)C)no1 ZINC000843152342 631865053 /nfs/dbraw/zinc/86/50/53/631865053.db2.gz FMNJGGFQIJAIRO-CQSZACIVSA-N 2 0 282.432 2.780 20 0 CFADRP Cc1cccc(OCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000843339953 631930419 /nfs/dbraw/zinc/93/04/19/631930419.db2.gz FUPZMKFKVRMGSN-BRWVUGGUSA-N 2 0 288.435 2.742 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000843341012 631931115 /nfs/dbraw/zinc/93/11/15/631931115.db2.gz BMMAESDMOIWJKY-CYBMUJFWSA-N 2 0 278.396 2.628 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000843340593 631931365 /nfs/dbraw/zinc/93/13/65/631931365.db2.gz BZIRNZGZVKXSLM-HNNXBMFYSA-N 2 0 290.386 2.747 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000843342713 631932710 /nfs/dbraw/zinc/93/27/10/631932710.db2.gz PTMLQLLVSMRLMK-ZDUSSCGKSA-N 2 0 289.423 2.741 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000843343908 631933118 /nfs/dbraw/zinc/93/31/18/631933118.db2.gz KSCPQJFUPPPIMZ-CYBMUJFWSA-N 2 0 282.387 2.931 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)CCO2 ZINC000843343909 631933547 /nfs/dbraw/zinc/93/35/47/631933547.db2.gz KSCPQJFUPPPIMZ-ZDUSSCGKSA-N 2 0 282.387 2.931 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000843343612 631933615 /nfs/dbraw/zinc/93/36/15/631933615.db2.gz WFNXXGIPJCGBLW-HNNXBMFYSA-N 2 0 250.361 2.922 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000843357164 631936056 /nfs/dbraw/zinc/93/60/56/631936056.db2.gz ARTQWPDYIIZABJ-AWEZNQCLSA-N 2 0 282.815 2.793 20 0 CFADRP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CCCCCCC1 ZINC000843358199 631936694 /nfs/dbraw/zinc/93/66/94/631936694.db2.gz BSOGRBVWDRLCAG-UHFFFAOYSA-N 2 0 280.416 2.808 20 0 CFADRP c1c2ccccc2[nH]c1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000843358809 631936837 /nfs/dbraw/zinc/93/68/37/631936837.db2.gz QNXUZPJBHBBIPX-CQSZACIVSA-N 2 0 283.419 2.957 20 0 CFADRP ClC1(Cl)C[C@H]1CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364830 631938157 /nfs/dbraw/zinc/93/81/57/631938157.db2.gz XVHPMOFVYANFRF-LLVKDONJSA-N 2 0 277.239 2.646 20 0 CFADRP Clc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000843387279 631942142 /nfs/dbraw/zinc/94/21/42/631942142.db2.gz GAOIDUNCPUAMIM-WDEREUQCSA-N 2 0 285.844 2.618 20 0 CFADRP Clc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccn1 ZINC000843386817 631942168 /nfs/dbraw/zinc/94/21/68/631942168.db2.gz MXEHTOWPJBXCKN-LSDHHAIUSA-N 2 0 293.842 2.947 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843385415 631942471 /nfs/dbraw/zinc/94/24/71/631942471.db2.gz KXOQTPJJUWZPQX-STQMWFEESA-N 2 0 291.266 2.892 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843388649 631943256 /nfs/dbraw/zinc/94/32/56/631943256.db2.gz VMWAXQKVABHOAE-SJORKVTESA-N 2 0 288.435 2.695 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388648 631943840 /nfs/dbraw/zinc/94/38/40/631943840.db2.gz VMWAXQKVABHOAE-IRXDYDNUSA-N 2 0 288.435 2.695 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843388646 631943901 /nfs/dbraw/zinc/94/39/01/631943901.db2.gz VMWAXQKVABHOAE-DLBZAZTESA-N 2 0 288.435 2.695 20 0 CFADRP CC1(C)Cc2cc(C[NH2+]CCC3(C[NH3+])CC3)ccc2O1 ZINC000844903705 632332029 /nfs/dbraw/zinc/33/20/29/632332029.db2.gz LGLHKPWWSKRAKY-UHFFFAOYSA-N 2 0 274.408 2.619 20 0 CFADRP C[C@]1(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C[C@]1(F)Cl ZINC000844922399 632337238 /nfs/dbraw/zinc/33/72/38/632337238.db2.gz DLIYAHBQUXZHJD-QNWHQSFQSA-N 2 0 262.800 2.941 20 0 CFADRP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCC1CC[NH2+]CC1 ZINC000844922951 632337887 /nfs/dbraw/zinc/33/78/87/632337887.db2.gz DPKXFRXDAUKZAY-QGZVFWFLSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cnn(-c2ccccc2)c1 ZINC000844922664 632337996 /nfs/dbraw/zinc/33/79/96/632337996.db2.gz OQJJUQIFWAKBSE-AWEZNQCLSA-N 2 0 284.407 2.652 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844924501 632338903 /nfs/dbraw/zinc/33/89/03/632338903.db2.gz LVSPWRNOIAHGCA-IVZWLZJFSA-N 2 0 253.217 2.676 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000844924199 632339111 /nfs/dbraw/zinc/33/91/11/632339111.db2.gz JPCZJEWZDYFBSY-ZDEQEGDKSA-N 2 0 291.266 2.938 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844927014 632339533 /nfs/dbraw/zinc/33/95/33/632339533.db2.gz YODKMWHPAAONFI-AXFHLTTASA-N 2 0 265.228 2.677 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844926996 632339813 /nfs/dbraw/zinc/33/98/13/632339813.db2.gz YGCIZNWAAKAOGN-GRYCIOLGSA-N 2 0 279.255 2.938 20 0 CFADRP C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925485535 632354164 /nfs/dbraw/zinc/35/41/64/632354164.db2.gz CYTOGKPVOQXJJN-HOCLYGCPSA-N 2 0 289.467 2.846 20 0 CFADRP Cc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)o1 ZINC000816642290 632499650 /nfs/dbraw/zinc/49/96/50/632499650.db2.gz VMSWJBAQSMLVPQ-INIZCTEOSA-N 2 0 262.397 2.814 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000845996899 632610298 /nfs/dbraw/zinc/61/02/98/632610298.db2.gz SZKGEFULVFSDNN-STQMWFEESA-N 2 0 296.377 2.664 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CC(C)C)C12CCC2 ZINC000846176951 632653699 /nfs/dbraw/zinc/65/36/99/632653699.db2.gz KGZOZXQJWKETRC-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP c1ccc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000846220367 632666324 /nfs/dbraw/zinc/66/63/24/632666324.db2.gz HIMWSQUYLRVIRB-QGZVFWFLSA-N 2 0 293.414 2.717 20 0 CFADRP CN1CC[C@H]([NH2+]CCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000846222489 632667474 /nfs/dbraw/zinc/66/74/74/632667474.db2.gz DPVWEDDYHFOOBZ-DLBZAZTESA-N 2 0 275.440 2.541 20 0 CFADRP CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846227097 632668961 /nfs/dbraw/zinc/66/89/61/632668961.db2.gz GNTUHYUYYNPIDD-OAGGEKHMSA-N 2 0 268.445 2.928 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CCCCCCC1 ZINC000817888895 632717489 /nfs/dbraw/zinc/71/74/89/632717489.db2.gz KQGXVSMLVOIRAR-NUEKZKHPSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000817892104 632717998 /nfs/dbraw/zinc/71/79/98/632717998.db2.gz QTIKOUBAWMBHBV-UONOGXRCSA-N 2 0 289.423 2.591 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000817892676 632718384 /nfs/dbraw/zinc/71/83/84/632718384.db2.gz OQUSZEGSBVOCIK-ATZDWAIDSA-N 2 0 298.430 2.577 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817889911 632718504 /nfs/dbraw/zinc/71/85/04/632718504.db2.gz QHMOFJQXNRGINW-UGSOOPFHSA-N 2 0 299.418 2.541 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000817891306 632718761 /nfs/dbraw/zinc/71/87/61/632718761.db2.gz JXSGJLRYRXEQLW-HZSPNIEDSA-N 2 0 279.815 2.745 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3C[NH3+])C2)cc1 ZINC000817897559 632721671 /nfs/dbraw/zinc/72/16/71/632721671.db2.gz RYFVUTOUQVKDPQ-BQFCYCMXSA-N 2 0 287.451 2.681 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817898815 632723545 /nfs/dbraw/zinc/72/35/45/632723545.db2.gz BGOJFPIJFADNLR-CPFNUKBASA-N 3 0 293.499 2.761 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCNc2ccccc2)c2ccccc21 ZINC000817900572 632723752 /nfs/dbraw/zinc/72/37/52/632723752.db2.gz NSIBKVKDHVNKHI-IRXDYDNUSA-N 2 0 267.376 2.833 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCOc1ccccc1F ZINC000817899943 632724054 /nfs/dbraw/zinc/72/40/54/632724054.db2.gz QXPYXNRBQAXOIF-DZGCQCFKSA-N 2 0 280.387 2.572 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCNc2ccccc2)c2ccccc21 ZINC000817900570 632724720 /nfs/dbraw/zinc/72/47/20/632724720.db2.gz NSIBKVKDHVNKHI-DLBZAZTESA-N 2 0 267.376 2.833 20 0 CFADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000817904685 632728016 /nfs/dbraw/zinc/72/80/16/632728016.db2.gz GMHWHEIPZRORRE-RKHAHWSXSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000817905788 632728048 /nfs/dbraw/zinc/72/80/48/632728048.db2.gz SXUHKXUJAIQMSK-DVOMOZLQSA-N 2 0 282.403 2.745 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000817905544 632728117 /nfs/dbraw/zinc/72/81/17/632728117.db2.gz OBFVQEROGVVVHX-IWCQGFGOSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817912296 632730738 /nfs/dbraw/zinc/73/07/38/632730738.db2.gz GELOEXIBHYRVLS-KURKYZTESA-N 2 0 282.387 2.629 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)s1 ZINC000817914919 632732357 /nfs/dbraw/zinc/73/23/57/632732357.db2.gz CJWRCHHRZOSYCU-HRCADAONSA-N 2 0 293.480 2.894 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2([C@@H](O)c3ccccc3)CC2)CC1 ZINC000817916531 632733005 /nfs/dbraw/zinc/73/30/05/632733005.db2.gz HAFXTIUDRHETCR-PREGVCBESA-N 2 0 288.435 2.607 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000817922825 632735277 /nfs/dbraw/zinc/73/52/77/632735277.db2.gz MSFTUBHCVCQHAD-KCXAZCMYSA-N 2 0 296.842 2.655 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817926270 632737924 /nfs/dbraw/zinc/73/79/24/632737924.db2.gz CRZRQOWLDVNRTG-TVFCKZIOSA-N 2 0 288.435 2.539 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H](O)c1ccccc1 ZINC000817927394 632739143 /nfs/dbraw/zinc/73/91/43/632739143.db2.gz KHUJMJAPHSAAAG-BHYGNILZSA-N 2 0 278.440 2.996 20 0 CFADRP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)c1ccccc1 ZINC000817928257 632739161 /nfs/dbraw/zinc/73/91/61/632739161.db2.gz ZIOAUFBTBRJMHJ-VQTPCSAVSA-N 2 0 288.435 2.617 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000817936248 632741654 /nfs/dbraw/zinc/74/16/54/632741654.db2.gz JBURAHYMBGAZKL-IJLUTSLNSA-N 2 0 279.255 2.938 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000817941159 632743780 /nfs/dbraw/zinc/74/37/80/632743780.db2.gz MWFYRGIKYKNJSG-GFCCVEGCSA-N 2 0 250.361 2.784 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000817940889 632744475 /nfs/dbraw/zinc/74/44/75/632744475.db2.gz OROYRBFXCXUBHI-QMMMGPOBSA-N 2 0 276.211 2.836 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1C ZINC000817954090 632753563 /nfs/dbraw/zinc/75/35/63/632753563.db2.gz BKTUZZHNCDBCBZ-HUUCEWRRSA-N 2 0 276.424 2.962 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnn(-c2ccccc2)c1 ZINC000817955064 632754480 /nfs/dbraw/zinc/75/44/80/632754480.db2.gz PSGSOFKFODHRBI-CABCVRRESA-N 2 0 284.407 2.523 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2c(c1)CCO2 ZINC000817969884 632768922 /nfs/dbraw/zinc/76/89/22/632768922.db2.gz HKCSUYPVUXKGKJ-NILFDRSVSA-N 2 0 260.381 2.542 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000817970706 632769701 /nfs/dbraw/zinc/76/97/01/632769701.db2.gz CPXMFNVVIMLWAS-DYEKYZERSA-N 2 0 250.361 2.925 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccnc(Cl)c1 ZINC000817970505 632769742 /nfs/dbraw/zinc/76/97/42/632769742.db2.gz XTLXHTMQBOWXER-WCQGTBRESA-N 2 0 253.777 2.656 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1C ZINC000817971015 632770236 /nfs/dbraw/zinc/77/02/36/632770236.db2.gz JGDCYHFADCTJAT-IJEWVQPXSA-N 2 0 276.424 2.961 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976858 632775276 /nfs/dbraw/zinc/77/52/76/632775276.db2.gz VPUNGKZOVIXQIC-WFASDCNBSA-N 2 0 262.372 2.927 20 0 CFADRP COc1cccc2cc(CN3CC[C@@H]([NH3+])C[C@H]3C)oc21 ZINC000846701561 632777540 /nfs/dbraw/zinc/77/75/40/632777540.db2.gz CJTDJOYTFRFEHC-DGCLKSJQSA-N 2 0 274.364 2.753 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccnc(Cl)c1 ZINC000817983229 632779474 /nfs/dbraw/zinc/77/94/74/632779474.db2.gz ZUNMOXVGRDNQOC-NHCYSSNCSA-N 2 0 253.777 2.513 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCO2 ZINC000817985254 632781888 /nfs/dbraw/zinc/78/18/88/632781888.db2.gz ILEFVECDTMOIKW-KKBVYLPWSA-N 2 0 286.419 2.660 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1Cc1ccnc(Cl)c1)CC[NH2+]CC2 ZINC000818341035 632832456 /nfs/dbraw/zinc/83/24/56/632832456.db2.gz VJLTUZGWVUFHPU-LBPRGKRZSA-N 2 0 279.815 2.699 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc3c(c1)COC3)CC[NH2+]CC2 ZINC000818339899 632832726 /nfs/dbraw/zinc/83/27/26/632832726.db2.gz GWZDSODPOGQVRF-CQSZACIVSA-N 2 0 286.419 2.681 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856763815 635849251 /nfs/dbraw/zinc/84/92/51/635849251.db2.gz JMSRLGOMRPNCAK-GFCCVEGCSA-N 2 0 286.851 2.674 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000818959071 632915972 /nfs/dbraw/zinc/91/59/72/632915972.db2.gz BYLVQTWYZQHWFL-SJLPKXTDSA-N 2 0 290.451 2.964 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000818970304 632918819 /nfs/dbraw/zinc/91/88/19/632918819.db2.gz MIBWYJFCHXAEOH-LJQANCHMSA-N 2 0 298.430 2.962 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC000818975141 632919567 /nfs/dbraw/zinc/91/95/67/632919567.db2.gz VEWWZBJBJKYXOZ-INIZCTEOSA-N 2 0 270.461 2.639 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000818980585 632920635 /nfs/dbraw/zinc/92/06/35/632920635.db2.gz MGIATNOZPBNUKG-SJLPKXTDSA-N 2 0 290.451 2.658 20 0 CFADRP OC1(C[NH2+]CCCCC[NH+]2CCCC2)CCCCC1 ZINC000819333828 633088570 /nfs/dbraw/zinc/08/85/70/633088570.db2.gz QIIQFFVJZQPFTQ-UHFFFAOYSA-N 2 0 268.445 2.537 20 0 CFADRP CC(C)C[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000848568330 633292301 /nfs/dbraw/zinc/29/23/01/633292301.db2.gz GFQIVOFXGCZWME-ROUUACIJSA-N 2 0 293.499 2.713 20 0 CFADRP CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848716892 633322787 /nfs/dbraw/zinc/32/27/87/633322787.db2.gz KTXMTFANGYIBFV-IXDOHACOSA-N 2 0 290.451 2.877 20 0 CFADRP COc1cccc(NC(=[NH2+])NCC2([NH+](C)C)CCCC2)c1 ZINC000848981259 633415100 /nfs/dbraw/zinc/41/51/00/633415100.db2.gz MFEKMZBLLOFPSM-UHFFFAOYSA-N 2 0 290.411 2.506 20 0 CFADRP C[NH+](C)C1(CNC(=[NH2+])NC2CCCCC2)CCCCC1 ZINC000848981105 633415250 /nfs/dbraw/zinc/41/52/50/633415250.db2.gz LJDVPVFSSRKSSA-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP CC(C)[C@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCCCCC1 ZINC000848984161 633416668 /nfs/dbraw/zinc/41/66/68/633416668.db2.gz UPVZVLMGYLKLDC-HNNXBMFYSA-N 2 0 280.460 2.553 20 0 CFADRP Cc1ccc(CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000848983927 633416931 /nfs/dbraw/zinc/41/69/31/633416931.db2.gz SUKNDKRUCUHPAQ-INIZCTEOSA-N 2 0 290.455 2.585 20 0 CFADRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])NC2CCCC2)C1 ZINC000848989239 633419270 /nfs/dbraw/zinc/41/92/70/633419270.db2.gz IFZOCBWFQUTNTB-AWEZNQCLSA-N 2 0 280.460 2.555 20 0 CFADRP CC[C@@H](C)NC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000848989504 633419382 /nfs/dbraw/zinc/41/93/82/633419382.db2.gz VOPJKNBWQFNMJP-KGLIPLIRSA-N 2 0 268.449 2.553 20 0 CFADRP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000848995461 633451360 /nfs/dbraw/zinc/45/13/60/633451360.db2.gz KOOAMLYGZDDPBD-CQSZACIVSA-N 2 0 274.412 2.806 20 0 CFADRP [NH2+]=C(NCCCCCCC[NH+]1CCCC1)NC1CCC1 ZINC000848997076 633452014 /nfs/dbraw/zinc/45/20/14/633452014.db2.gz OPJHGXSEWJPIPI-UHFFFAOYSA-N 2 0 280.460 2.699 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H](C)CC ZINC000848998460 633453129 /nfs/dbraw/zinc/45/31/29/633453129.db2.gz KIJQSWLITIEIHK-UONOGXRCSA-N 2 0 268.449 2.553 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000849004604 633455863 /nfs/dbraw/zinc/45/58/63/633455863.db2.gz RBUBHKCGTFSGCX-CYBMUJFWSA-N 2 0 274.412 2.527 20 0 CFADRP CCc1ccc(NC(=[NH2+])NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000849004605 633456034 /nfs/dbraw/zinc/45/60/34/633456034.db2.gz RBUBHKCGTFSGCX-ZDUSSCGKSA-N 2 0 274.412 2.527 20 0 CFADRP CCc1cccc(NC(=[NH2+])NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000849004688 633456089 /nfs/dbraw/zinc/45/60/89/633456089.db2.gz WEVXAPXKEIATTM-CYBMUJFWSA-N 2 0 274.412 2.527 20 0 CFADRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)NC1CCCC1 ZINC000849007786 633457524 /nfs/dbraw/zinc/45/75/24/633457524.db2.gz SAUFSZRVOYQWQC-UHFFFAOYSA-N 2 0 280.460 2.699 20 0 CFADRP CCCCCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000849023057 633465576 /nfs/dbraw/zinc/46/55/76/633465576.db2.gz IVIQFKXOUAAFDG-OAHLLOKOSA-N 2 0 280.460 2.698 20 0 CFADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C1=CCCC1 ZINC000849039286 633475510 /nfs/dbraw/zinc/47/55/10/633475510.db2.gz QQKFUVPTKVAYNF-HNNXBMFYSA-N 2 0 292.471 2.721 20 0 CFADRP CC[N@H+](CCCNC(=[NH2+])NC1CCC1)C1CCCCC1 ZINC000849046712 633479601 /nfs/dbraw/zinc/47/96/01/633479601.db2.gz JTWDUXFGUURYTH-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(C)(C)C ZINC000849103452 633486355 /nfs/dbraw/zinc/48/63/55/633486355.db2.gz PSMBBLXRRWXHJQ-CYBMUJFWSA-N 2 0 282.476 2.657 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCO1 ZINC000849349581 633625673 /nfs/dbraw/zinc/62/56/73/633625673.db2.gz DMGWCKLYRMOPSY-CGTJXYLNSA-N 2 0 294.483 2.903 20 0 CFADRP c1[nH]nc2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)ccc12 ZINC000849350705 633626015 /nfs/dbraw/zinc/62/60/15/633626015.db2.gz SFSYDLXUYGQXEW-INIZCTEOSA-N 2 0 298.434 2.775 20 0 CFADRP FC(F)(F)SCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925486544 633794599 /nfs/dbraw/zinc/79/45/99/633794599.db2.gz RMCSAUDIVIKRCK-VXGBXAGGSA-N 2 0 296.402 2.997 20 0 CFADRP C1=C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000850358170 633954334 /nfs/dbraw/zinc/95/43/34/633954334.db2.gz IXTVZYMZBBVGNI-KRWDZBQOSA-N 2 0 286.419 2.969 20 0 CFADRP C([NH2+][C@H]1CC[C@H]1C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000850482553 634012031 /nfs/dbraw/zinc/01/20/31/634012031.db2.gz JZOVVZCGFXFHIS-ROUUACIJSA-N 2 0 292.467 2.656 20 0 CFADRP Clc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000853093445 634901211 /nfs/dbraw/zinc/90/12/11/634901211.db2.gz KVUNTXCVVVNNMZ-OAHLLOKOSA-N 2 0 293.842 2.947 20 0 CFADRP Cc1csc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000853093066 634901252 /nfs/dbraw/zinc/90/12/52/634901252.db2.gz ATMPFRYSRBTJLB-AWEZNQCLSA-N 2 0 279.453 2.663 20 0 CFADRP CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C12CCC2 ZINC000853241091 634949351 /nfs/dbraw/zinc/94/93/51/634949351.db2.gz UKGYNNPFFAKYDQ-BRWVUGGUSA-N 2 0 292.467 2.656 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000854230219 635266161 /nfs/dbraw/zinc/26/61/61/635266161.db2.gz JZQVANNKZVQGMJ-WMLDXEAASA-N 2 0 286.423 2.896 20 0 CFADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC1SCCS1 ZINC000854230185 635266935 /nfs/dbraw/zinc/26/69/35/635266935.db2.gz JGBSHGWIOWXJDJ-TZMCWYRMSA-N 2 0 296.505 2.731 20 0 CFADRP CCCCOCCC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925489801 635730484 /nfs/dbraw/zinc/73/04/84/635730484.db2.gz RPTGHLRJYAFLBR-KGLIPLIRSA-N 2 0 256.434 2.689 20 0 CFADRP CC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584900 635834254 /nfs/dbraw/zinc/83/42/54/635834254.db2.gz UMORMISPHYNYLV-PBHICJAKSA-N 2 0 291.439 2.785 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857065226 635922853 /nfs/dbraw/zinc/92/28/53/635922853.db2.gz KSHYPCJFAKFUQL-JFGNBEQYSA-N 2 0 277.239 2.643 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857847626 636031514 /nfs/dbraw/zinc/03/15/14/636031514.db2.gz SWLAZDZXSCQUNT-INIZCTEOSA-N 2 0 290.455 2.889 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)CC1(C)C ZINC000858142783 636137701 /nfs/dbraw/zinc/13/77/01/636137701.db2.gz MIUQGSURBNFLPP-DOMZBBRYSA-N 2 0 296.842 2.836 20 0 CFADRP C[NH+](C)C1(CNc2cc[nH+]c(CO)c2)CCCCCC1 ZINC000858322139 636189021 /nfs/dbraw/zinc/18/90/21/636189021.db2.gz OPJHEGHNNDSMED-UHFFFAOYSA-N 2 0 277.412 2.640 20 0 CFADRP C[C@@H](CCNc1cc[nH+]c(CO)c1)[N@H+](C)Cc1ccccc1 ZINC000858432484 636237683 /nfs/dbraw/zinc/23/76/83/636237683.db2.gz JNJZSEMUSYIAMY-HNNXBMFYSA-N 2 0 299.418 2.896 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cccs3)CC[C@@H]21 ZINC000158897623 650241143 /nfs/dbraw/zinc/24/11/43/650241143.db2.gz WCOVJSFIXRZRTM-HIFRSBDPSA-N 2 0 264.438 2.707 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc[nH+]c(CO)c1 ZINC000858484705 636268178 /nfs/dbraw/zinc/26/81/78/636268178.db2.gz YWAUOGXNCKXKBL-RDTXWAMCSA-N 2 0 297.402 2.506 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859563776 636602094 /nfs/dbraw/zinc/60/20/94/636602094.db2.gz VPASQFKHTFKFDM-INIZCTEOSA-N 2 0 261.413 2.854 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC000081570167 636794293 /nfs/dbraw/zinc/79/42/93/636794293.db2.gz JZKROIVYGPIZGS-AWEZNQCLSA-N 2 0 266.454 2.954 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2cccs2)C1 ZINC000081632233 636795862 /nfs/dbraw/zinc/79/58/62/636795862.db2.gz QJKQZHXOLZYNTI-OAHLLOKOSA-N 2 0 278.465 2.954 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)c2ccccc2)CC1(C)C ZINC000862367819 637339104 /nfs/dbraw/zinc/33/91/04/637339104.db2.gz VVCWQRVCLYGFLB-JKSUJKDBSA-N 2 0 276.424 2.573 20 0 CFADRP C[N@H+](Cc1cc(O)ccc1Cl)C1CCC([NH3+])CC1 ZINC000863542853 637689890 /nfs/dbraw/zinc/68/98/90/637689890.db2.gz SZILXSIWRXLLBC-UHFFFAOYSA-N 2 0 268.788 2.747 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1 ZINC000863690037 637746538 /nfs/dbraw/zinc/74/65/38/637746538.db2.gz ISKOADUTJLARPF-CQSZACIVSA-N 2 0 296.418 2.638 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)c21 ZINC000925493555 638192823 /nfs/dbraw/zinc/19/28/23/638192823.db2.gz QCYYGKSJPCZYBG-JKSUJKDBSA-N 2 0 283.419 2.878 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc(-n2ccnc2)c1 ZINC000189892189 650400148 /nfs/dbraw/zinc/40/01/48/650400148.db2.gz WMCLELLWAXLHJL-JQFCIGGWSA-N 2 0 285.391 2.826 20 0 CFADRP FC(F)(F)c1c[nH+]ccc1NC1CC[NH+](C2CC2)CC1 ZINC000865425411 638326990 /nfs/dbraw/zinc/32/69/90/638326990.db2.gz PWIFKNQVPJZGKH-UHFFFAOYSA-N 2 0 285.313 2.561 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865450063 638342524 /nfs/dbraw/zinc/34/25/24/638342524.db2.gz KNIOTYZRRLWZOK-UHFFFAOYSA-N 2 0 288.222 2.820 20 0 CFADRP Cc1ccncc1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000865716603 638531237 /nfs/dbraw/zinc/53/12/37/638531237.db2.gz AYDHZNBMFXOPNN-UHFFFAOYSA-N 2 0 275.440 2.990 20 0 CFADRP Cc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)on1 ZINC000865717116 638533133 /nfs/dbraw/zinc/53/31/33/638533133.db2.gz OWEFZNRLXXJPPB-UHFFFAOYSA-N 2 0 265.401 2.583 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCCS2)CC1(C)C ZINC000865725987 638537862 /nfs/dbraw/zinc/53/78/62/638537862.db2.gz RYIZODMHQKGUIB-OLZOCXBDSA-N 2 0 256.459 2.735 20 0 CFADRP CC[C@H](C[C@@H](C)O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865873705 638632870 /nfs/dbraw/zinc/63/28/70/638632870.db2.gz HAMLHCXUWKZVGS-HUUCEWRRSA-N 2 0 282.472 2.923 20 0 CFADRP CCc1cc(N2CCC3(CC2)CC[NH+](C)CC3)cc[nH+]1 ZINC000866054697 638715983 /nfs/dbraw/zinc/71/59/83/638715983.db2.gz HIESTOMBPCHXRM-UHFFFAOYSA-N 2 0 273.424 2.956 20 0 CFADRP C(C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000866219134 638772838 /nfs/dbraw/zinc/77/28/38/638772838.db2.gz HGVFEIRSYJXPDG-DLBZAZTESA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000866236694 638777029 /nfs/dbraw/zinc/77/70/29/638777029.db2.gz BSMXHRFEXARPSI-DJIMGWMZSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866259339 638782479 /nfs/dbraw/zinc/78/24/79/638782479.db2.gz LJOAOGDEYMUCQV-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467937 638825999 /nfs/dbraw/zinc/82/59/99/638825999.db2.gz VALFNLDJOAOXSH-AEFFLSMTSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)C[C@@H]2CCOC2)CC1 ZINC000866467417 638826026 /nfs/dbraw/zinc/82/60/26/638826026.db2.gz HKXVFLPFLMGXOG-RDJZCZTQSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H](COC)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467237 638826111 /nfs/dbraw/zinc/82/61/11/638826111.db2.gz ASGFVGLCXLVDCM-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCC2CC[NH+](C(C)C)CC2)nn1C ZINC000866469266 638826599 /nfs/dbraw/zinc/82/65/99/638826599.db2.gz KKVKYJUPBDJXLY-OAHLLOKOSA-N 2 0 292.471 2.890 20 0 CFADRP Cc1nccnc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468272 638826616 /nfs/dbraw/zinc/82/66/16/638826616.db2.gz DGCJVCYCKWZFEO-CQSZACIVSA-N 2 0 290.455 2.946 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000866516539 638834445 /nfs/dbraw/zinc/83/44/45/638834445.db2.gz BOPBZZVLTXIEGT-UHFFFAOYSA-N 2 0 274.399 2.927 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000866538048 638838279 /nfs/dbraw/zinc/83/82/79/638838279.db2.gz NBGRLOUXNQNDQL-WMZOPIPTSA-N 2 0 292.467 2.513 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCSCCC(F)(F)F)CC[N@@H+]1C ZINC000866543707 638839923 /nfs/dbraw/zinc/83/99/23/638839923.db2.gz UWUIIPGFNYZZBN-MNOVXSKESA-N 2 0 284.391 2.744 20 0 CFADRP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)C1CC[NH+](C)CC1 ZINC000866622647 638856739 /nfs/dbraw/zinc/85/67/39/638856739.db2.gz ODZCAHVDRXVZHU-HOCLYGCPSA-N 2 0 280.456 2.798 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H](O)C2CCCC2)CC1 ZINC000866637203 638859282 /nfs/dbraw/zinc/85/92/82/638859282.db2.gz TVWLATOMAGHMGW-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1Cl ZINC000866665590 638862817 /nfs/dbraw/zinc/86/28/17/638862817.db2.gz HCLFYMMWKWFXFJ-UHFFFAOYSA-N 2 0 279.815 2.619 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866708064 638869061 /nfs/dbraw/zinc/86/90/61/638869061.db2.gz PMXPFZQELJAEEJ-KRWDZBQOSA-N 2 0 276.424 2.892 20 0 CFADRP C(C[NH2+][C@H]1CCOC2(CCCC2)C1)C[NH+]1CCCCC1 ZINC000872018720 641549809 /nfs/dbraw/zinc/54/98/09/641549809.db2.gz PJRJYHNAZVDHJK-INIZCTEOSA-N 2 0 280.456 2.944 20 0 CFADRP CN(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C1CC1 ZINC000872025202 641557251 /nfs/dbraw/zinc/55/72/51/641557251.db2.gz IBRHOIMNLNLVKN-KFWWJZLASA-N 2 0 268.445 2.510 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(O)ccc2F)CC1 ZINC000872033068 641563784 /nfs/dbraw/zinc/56/37/84/641563784.db2.gz DWGIHKISDXDYHP-GFCCVEGCSA-N 2 0 280.387 2.914 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](CC)[C@H]2CCCOC2)CC1 ZINC000872034681 641565875 /nfs/dbraw/zinc/56/58/75/641565875.db2.gz QOXMYCWBONNPRA-DLBZAZTESA-N 2 0 282.472 2.903 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCCOC1 ZINC000872034915 641566153 /nfs/dbraw/zinc/56/61/53/641566153.db2.gz RRSPQKAIBKFGQS-ULQDDVLXSA-N 2 0 282.472 2.902 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(O)c2F)CC1 ZINC000872034480 641566318 /nfs/dbraw/zinc/56/63/18/641566318.db2.gz OVFPNOMHOZNTJA-GFCCVEGCSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H](CC1CCCCC1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000872035650 641567298 /nfs/dbraw/zinc/56/72/98/641567298.db2.gz XVNNTHJZNHVLMK-FUHWJXTLSA-N 2 0 295.515 2.961 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872041646 641576963 /nfs/dbraw/zinc/57/69/63/641576963.db2.gz JKTAGIJJXKRDLX-GXTWGEPZSA-N 2 0 298.402 2.539 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000872061945 641593416 /nfs/dbraw/zinc/59/34/16/641593416.db2.gz BIPWJQYYRPESDC-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(O)ccc1F ZINC000872080390 641613334 /nfs/dbraw/zinc/61/33/34/641613334.db2.gz WKEXQXKCBFJSMO-OLZOCXBDSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)[C@@H]1CCCOC1 ZINC000872082148 641615999 /nfs/dbraw/zinc/61/59/99/641615999.db2.gz QDAXLNSJSKYWPG-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000872082926 641617039 /nfs/dbraw/zinc/61/70/39/641617039.db2.gz DXKQTIPRTDUIQH-XQLPTFJDSA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCOC1 ZINC000872087151 641621577 /nfs/dbraw/zinc/62/15/77/641621577.db2.gz GKRTUUVPTHADPL-KSZLIROESA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)OC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000872115164 641645824 /nfs/dbraw/zinc/64/58/24/641645824.db2.gz IGNOFEZHJFVBSQ-ARFHVFGLSA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C2CC(Nc3ccccc3)C2)[C@H](C)C1 ZINC000872132928 641660275 /nfs/dbraw/zinc/66/02/75/641660275.db2.gz LWSOCOLELBNUAU-LTDKPHRXSA-N 2 0 287.451 2.949 20 0 CFADRP CC1(C)CCc2onc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)c2C1 ZINC000872144188 641671571 /nfs/dbraw/zinc/67/15/71/641671571.db2.gz XCEDLKDHDHAVHS-CYBMUJFWSA-N 2 0 291.439 2.750 20 0 CFADRP Cc1csc([C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000872147003 641674622 /nfs/dbraw/zinc/67/46/22/641674622.db2.gz BWZHWDQPERYZGT-KGLIPLIRSA-N 2 0 279.453 2.631 20 0 CFADRP CC(C)c1cc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n[nH]1 ZINC000872146439 641674636 /nfs/dbraw/zinc/67/46/36/641674636.db2.gz NPFRMVAJJXRNPE-HNNXBMFYSA-N 2 0 290.455 2.712 20 0 CFADRP C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155013 641675689 /nfs/dbraw/zinc/67/56/89/641675689.db2.gz JPXYQPUMDWCVIW-OAHLLOKOSA-N 2 0 297.487 2.522 20 0 CFADRP Cc1ccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])c(C)c1 ZINC000872154923 641676322 /nfs/dbraw/zinc/67/63/22/641676322.db2.gz FJTOAZDTXLTYMD-UHFFFAOYSA-N 2 0 291.439 2.693 20 0 CFADRP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155920 641676693 /nfs/dbraw/zinc/67/66/93/641676693.db2.gz ANEZCXLJSOWVNN-HOCLYGCPSA-N 2 0 296.455 2.559 20 0 CFADRP Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155645 641677385 /nfs/dbraw/zinc/67/73/85/641677385.db2.gz XIMUVPLDBGTYJH-OAHLLOKOSA-N 2 0 291.439 2.773 20 0 CFADRP Cn1cc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000872158438 641679125 /nfs/dbraw/zinc/67/91/25/641679125.db2.gz VEASIPOZMLOUPD-YOEHRIQHSA-N 2 0 290.455 2.540 20 0 CFADRP COC(=O)CCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158896 641679644 /nfs/dbraw/zinc/67/96/44/641679644.db2.gz YWROISZVBXSVIG-ZBFHGGJFSA-N 2 0 296.455 2.559 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872227480 641709502 /nfs/dbraw/zinc/70/95/02/641709502.db2.gz FUACUKXSFMKJDZ-PCKAHOCUSA-N 2 0 270.461 2.636 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000872229175 641709867 /nfs/dbraw/zinc/70/98/67/641709867.db2.gz OETXWNHFNUUESA-ADKAHSJRSA-N 2 0 290.451 2.881 20 0 CFADRP CCC1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCOCC1 ZINC000872251801 641717841 /nfs/dbraw/zinc/71/78/41/641717841.db2.gz NKPYRJIGYNOBLO-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872253004 641718632 /nfs/dbraw/zinc/71/86/32/641718632.db2.gz YAAHAORZMDVDII-SJORKVTESA-N 2 0 290.451 2.612 20 0 CFADRP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254322 641718802 /nfs/dbraw/zinc/71/88/02/641718802.db2.gz ZMVNTBUPWVIBEP-VHSXEESVSA-N 2 0 252.324 2.695 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000872252733 641718948 /nfs/dbraw/zinc/71/89/48/641718948.db2.gz VARFYZFXXNAPPJ-PMPSAXMXSA-N 2 0 282.472 2.805 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000872253517 641719524 /nfs/dbraw/zinc/71/95/24/641719524.db2.gz BIPHZYPKZIYERA-HNNXBMFYSA-N 2 0 268.445 2.561 20 0 CFADRP CC1(C)Cc2cccc(C[NH2+]C3CCC([NH3+])CC3)c2O1 ZINC000080509168 650685796 /nfs/dbraw/zinc/68/57/96/650685796.db2.gz NWRVTGNYSYYENX-UHFFFAOYSA-N 2 0 274.408 2.760 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000872475200 641825465 /nfs/dbraw/zinc/82/54/65/641825465.db2.gz MAJIBYCEEVGDQY-KBPBESRZSA-N 2 0 259.397 2.666 20 0 CFADRP Cc1ncc(C[NH2+][C@H](C)C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000873219892 642072529 /nfs/dbraw/zinc/07/25/29/642072529.db2.gz AUOZRLAMMQMPDT-CQSZACIVSA-N 2 0 298.434 2.658 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1F ZINC000873219714 642072797 /nfs/dbraw/zinc/07/27/97/642072797.db2.gz FNSMDFBVRRRLHT-LBPRGKRZSA-N 2 0 280.387 2.702 20 0 CFADRP C[C@@H]([NH2+]Cc1sccc1Cl)C1CC[NH2+]CC1 ZINC000873219874 642073255 /nfs/dbraw/zinc/07/32/55/642073255.db2.gz GUYHPLCGZSBIRP-SECBINFHSA-N 2 0 258.818 2.879 20 0 CFADRP CC(C)c1ncc(C[NH2+][C@H](C)C2CC[NH2+]CC2)s1 ZINC000873221085 642073714 /nfs/dbraw/zinc/07/37/14/642073714.db2.gz KIEHKWBEGYUMMX-LLVKDONJSA-N 2 0 267.442 2.744 20 0 CFADRP CCCOc1cccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873220959 642073977 /nfs/dbraw/zinc/07/39/77/642073977.db2.gz DDRKAZJHCAKPBR-CQSZACIVSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000873220441 642074022 /nfs/dbraw/zinc/07/40/22/642074022.db2.gz OTECZVZFFZHIME-COXVUDFISA-N 2 0 258.409 2.768 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(Cl)c1F)C1CC[NH2+]CC1 ZINC000873222336 642075321 /nfs/dbraw/zinc/07/53/21/642075321.db2.gz NKAQQUVIVHCIPF-JTQLQIEISA-N 2 0 270.779 2.957 20 0 CFADRP COc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1SC ZINC000873222100 642075332 /nfs/dbraw/zinc/07/53/32/642075332.db2.gz ZJSXBIPHQLUATL-GFCCVEGCSA-N 2 0 294.464 2.895 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CCO1 ZINC000873222819 642076348 /nfs/dbraw/zinc/07/63/48/642076348.db2.gz CNKZIXZHRNZPSM-ZMSDIMECSA-N 2 0 282.472 2.889 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1SC ZINC000873222555 642076793 /nfs/dbraw/zinc/07/67/93/642076793.db2.gz ZJSXBIPHQLUATL-LBPRGKRZSA-N 2 0 294.464 2.895 20 0 CFADRP COCCC1([NH2+]Cc2ccc(C)cc2C)CC[NH2+]CC1 ZINC000873222636 642076971 /nfs/dbraw/zinc/07/69/71/642076971.db2.gz CDFLFOMSPQTAPF-UHFFFAOYSA-N 2 0 276.424 2.552 20 0 CFADRP c1ccc(OCCCC[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873231995 642085069 /nfs/dbraw/zinc/08/50/69/642085069.db2.gz SLVOQODOWARXCS-IAGOWNOFSA-N 2 0 274.408 2.720 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873232246 642085559 /nfs/dbraw/zinc/08/55/59/642085559.db2.gz DENIPAKASUDWHP-INIZCTEOSA-N 2 0 273.424 2.792 20 0 CFADRP COCc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)o1 ZINC000873232392 642086520 /nfs/dbraw/zinc/08/65/20/642086520.db2.gz XXECVSBBZHVCGS-INIZCTEOSA-N 2 0 292.423 2.828 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232689 642086667 /nfs/dbraw/zinc/08/66/67/642086667.db2.gz WRTPCASTVYSOTB-NXHRZFHOSA-N 2 0 293.499 2.606 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000873235292 642087710 /nfs/dbraw/zinc/08/77/10/642087710.db2.gz KQTAEKHPSCSNBP-RDJZCZTQSA-N 2 0 258.409 2.857 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000873242011 642091910 /nfs/dbraw/zinc/09/19/10/642091910.db2.gz KLMKOIUDCNMTMX-HIFRSBDPSA-N 2 0 250.430 2.935 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H]3CCC[C@H]3[NH3+])c[nH]c2cc1F ZINC000873246985 642094249 /nfs/dbraw/zinc/09/42/49/642094249.db2.gz GKNKJXIVZCRDLX-CABCVRRESA-N 2 0 275.371 2.627 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c[nH]c2cc1F ZINC000873248116 642094628 /nfs/dbraw/zinc/09/46/28/642094628.db2.gz ZYBHQJQIOOJWJI-NWDGAFQWSA-N 2 0 277.387 2.873 20 0 CFADRP Cc1cc2c(CC[NH2+][C@@H]3CCC[C@H]3[NH3+])c[nH]c2cc1F ZINC000873246987 642094665 /nfs/dbraw/zinc/09/46/65/642094665.db2.gz GKNKJXIVZCRDLX-HUUCEWRRSA-N 2 0 275.371 2.627 20 0 CFADRP Cc1cc2c(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)c[nH]c2cc1F ZINC000873247443 642094732 /nfs/dbraw/zinc/09/47/32/642094732.db2.gz MSTHMLYDXSONOP-MLGOLLRUSA-N 2 0 289.398 2.888 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)c2ccccc21 ZINC000873249488 642095315 /nfs/dbraw/zinc/09/53/15/642095315.db2.gz BBTSCNIEAGVARY-KBRIMQKVSA-N 2 0 286.419 2.928 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873249044 642095715 /nfs/dbraw/zinc/09/57/15/642095715.db2.gz HNNATLHIDHRGOY-NVBFEUDRSA-N 2 0 268.351 2.989 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c2ccccc21 ZINC000873252491 642097866 /nfs/dbraw/zinc/09/78/66/642097866.db2.gz OQDSAEVNXBIGPK-RUGDWHBFSA-N 2 0 286.419 2.784 20 0 CFADRP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251216 642098299 /nfs/dbraw/zinc/09/82/99/642098299.db2.gz KMJSMTMEPPBKPM-SGMGOOAPSA-N 2 0 264.438 2.666 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000873253054 642098548 /nfs/dbraw/zinc/09/85/48/642098548.db2.gz YMYGYHTUPAAWSF-BSHDOZJQSA-N 3 0 299.462 2.509 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000873252820 642098772 /nfs/dbraw/zinc/09/87/72/642098772.db2.gz VYXCJMGIZWMYQM-SUHUHFCYSA-N 2 0 280.799 2.881 20 0 CFADRP CC[C@@H]([NH2+]CCSCCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873252547 642099186 /nfs/dbraw/zinc/09/91/86/642099186.db2.gz PDONDFMOILLNAK-MNOVXSKESA-N 2 0 284.391 2.792 20 0 CFADRP FC(F)(F)CCSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000873253204 642099316 /nfs/dbraw/zinc/09/93/16/642099316.db2.gz UZIUXOOORVFSPG-SDDRHHMPSA-N 2 0 296.402 2.650 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(OC(F)(F)F)c1 ZINC000873253798 642099917 /nfs/dbraw/zinc/09/99/17/642099917.db2.gz FIBZHNOSQLAFLA-JBLDHEPKSA-N 2 0 288.313 2.973 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000873254739 642100778 /nfs/dbraw/zinc/10/07/78/642100778.db2.gz BRIAXSFMBAPYIH-MXWKQRLJSA-N 2 0 270.323 2.676 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000873256144 642101613 /nfs/dbraw/zinc/10/16/13/642101613.db2.gz KNKHEGXNTIIDBU-BQGCOEIASA-N 2 0 292.398 2.620 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(C)ccc1OC ZINC000873256379 642101863 /nfs/dbraw/zinc/10/18/63/642101863.db2.gz OFNZFZQUAZSEQH-UMVBOHGHSA-N 2 0 262.397 2.782 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873257248 642102436 /nfs/dbraw/zinc/10/24/36/642102436.db2.gz SGWBCRNTTXPTKG-FOGDFJRCSA-N 2 0 268.788 2.737 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000873256915 642102694 /nfs/dbraw/zinc/10/26/94/642102694.db2.gz QWHAQLUQKQHAEL-OUJBWJOFSA-N 2 0 283.213 2.837 20 0 CFADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873257250 642102734 /nfs/dbraw/zinc/10/27/34/642102734.db2.gz SGWBCRNTTXPTKG-JBLDHEPKSA-N 2 0 268.788 2.737 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)C(C)C)cc1 ZINC000873256764 642102917 /nfs/dbraw/zinc/10/29/17/642102917.db2.gz QGYKITJBGWQCSI-XNRPHZJLSA-N 2 0 262.397 2.719 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000873257960 642103583 /nfs/dbraw/zinc/10/35/83/642103583.db2.gz VYXCJMGIZWMYQM-MPKXVKKWSA-N 2 0 280.799 2.881 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000873259731 642104390 /nfs/dbraw/zinc/10/43/90/642104390.db2.gz KKLWUONBJZMKKF-VTPLQMEGSA-N 2 0 250.411 2.929 20 0 CFADRP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873261303 642105270 /nfs/dbraw/zinc/10/52/70/642105270.db2.gz NCULWOQSIKLSNK-OGIUKLMXSA-N 2 0 286.419 2.890 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000873263092 642106670 /nfs/dbraw/zinc/10/66/70/642106670.db2.gz FYTRINMTFKIBPG-YTQIUSBHSA-N 2 0 250.430 2.931 20 0 CFADRP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264135 642106972 /nfs/dbraw/zinc/10/69/72/642106972.db2.gz OFLZFEQGBSLNHB-XQLPTFJDSA-N 2 0 259.397 2.571 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(O)c1 ZINC000873263515 642106981 /nfs/dbraw/zinc/10/69/81/642106981.db2.gz ISTTWHMNEOFTHL-VIRABCJISA-N 2 0 260.381 2.573 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1C ZINC000873263318 642107201 /nfs/dbraw/zinc/10/72/01/642107201.db2.gz IBAGBTZNKKLOFS-ZTYXSZCMSA-N 2 0 250.430 2.931 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(-n2cccn2)cc1 ZINC000873264840 642107746 /nfs/dbraw/zinc/10/77/46/642107746.db2.gz HEQVNGIIKFWFKM-HUUCEWRRSA-N 2 0 298.434 2.911 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000873266616 642109834 /nfs/dbraw/zinc/10/98/34/642109834.db2.gz OWWMVXBJPCRUMT-FGTMMUONSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000873267928 642110098 /nfs/dbraw/zinc/11/00/98/642110098.db2.gz MGWUEBNXZBFSAM-CHWSQXEVSA-N 2 0 286.423 2.612 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C1CC[NH2+]CC1 ZINC000873268039 642110812 /nfs/dbraw/zinc/11/08/12/642110812.db2.gz PPIZSRICDVWISU-BZNIZROVSA-N 2 0 262.372 2.791 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)oc1C ZINC000873268286 642111033 /nfs/dbraw/zinc/11/10/33/642111033.db2.gz BQJOVPPUUZESLT-NEPJUHHUSA-N 2 0 250.386 2.935 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccnn1-c1ccccc1)C1CC[NH2+]CC1 ZINC000873268212 642111077 /nfs/dbraw/zinc/11/10/77/642111077.db2.gz AGBGFFONZJWIFY-CABCVRRESA-N 2 0 298.434 2.911 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000873269958 642111801 /nfs/dbraw/zinc/11/18/01/642111801.db2.gz NEOZPTWTLCKGFZ-KDOFPFPSSA-N 2 0 272.436 2.912 20 0 CFADRP COc1ncc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000873271864 642112658 /nfs/dbraw/zinc/11/26/58/642112658.db2.gz MSEYUDZHMQRADL-WDEREUQCSA-N 2 0 297.830 2.782 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cnn(-c2ccccc2)c1 ZINC000873272177 642113492 /nfs/dbraw/zinc/11/34/92/642113492.db2.gz QEDJGBFMVTUKIR-LSDHHAIUSA-N 2 0 298.434 2.911 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCOc2ccccc21)C1CC[NH2+]CC1 ZINC000873271930 642113755 /nfs/dbraw/zinc/11/37/55/642113755.db2.gz MLYCJKZQFDEWHY-BBRMVZONSA-N 2 0 274.408 2.878 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2cccs2)[C@H](C)C1 ZINC000081095670 650722496 /nfs/dbraw/zinc/72/24/96/650722496.db2.gz HDJVHJVAMBEUOA-UKRRQHHQSA-N 2 0 266.454 2.953 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000873275160 642115231 /nfs/dbraw/zinc/11/52/31/642115231.db2.gz IVWFUXFJEGLOOH-KGLIPLIRSA-N 2 0 254.418 2.585 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc2cnccc2o1 ZINC000873276664 642115323 /nfs/dbraw/zinc/11/53/23/642115323.db2.gz VTLHRGQRYDSAJM-SFDCQRBFSA-N 2 0 285.391 2.867 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc2cnccc2o1 ZINC000873276139 642115351 /nfs/dbraw/zinc/11/53/51/642115351.db2.gz RCSAIMAKYULQKS-NWDGAFQWSA-N 2 0 261.369 2.996 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873281391 642117164 /nfs/dbraw/zinc/11/71/64/642117164.db2.gz IJVCSGODIOFQJQ-ZCVDQKGDSA-N 2 0 292.467 2.844 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NCc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283471 642117873 /nfs/dbraw/zinc/11/78/73/642117873.db2.gz URWKGLAOGXQKLJ-JGVFFNPUSA-N 2 0 295.736 2.969 20 0 CFADRP c1cnc2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c1 ZINC000873284595 642118968 /nfs/dbraw/zinc/11/89/68/642118968.db2.gz UHAFOFCOUHSUEH-CWRNSKLLSA-N 2 0 281.403 2.713 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000873285000 642119084 /nfs/dbraw/zinc/11/90/84/642119084.db2.gz WRYNYXSQZKCWPP-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289541 642122006 /nfs/dbraw/zinc/12/20/06/642122006.db2.gz JGMUNPCBLRNQQM-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873289652 642122169 /nfs/dbraw/zinc/12/21/69/642122169.db2.gz KCZQHSXQETYCHK-TZMCWYRMSA-N 2 0 280.437 2.557 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccsc1 ZINC000873289650 642122337 /nfs/dbraw/zinc/12/23/37/642122337.db2.gz KCZQHSXQETYCHK-OCCSQVGLSA-N 2 0 280.437 2.557 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(F)c1 ZINC000873290162 642123116 /nfs/dbraw/zinc/12/31/16/642123116.db2.gz OGOUSBDZSUAJFD-CJNGLKHVSA-N 2 0 292.398 2.635 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291722 642124073 /nfs/dbraw/zinc/12/40/73/642124073.db2.gz IOLXHAOJDBNZKM-RRFJBIMHSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291721 642124190 /nfs/dbraw/zinc/12/41/90/642124190.db2.gz IOLXHAOJDBNZKM-RBSFLKMASA-N 2 0 280.456 2.559 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292945 642124694 /nfs/dbraw/zinc/12/46/94/642124694.db2.gz GTPOVDCXFRCWII-UONOGXRCSA-N 2 0 268.445 2.559 20 0 CFADRP CCOc1cccc(F)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000876575987 642931286 /nfs/dbraw/zinc/93/12/86/642931286.db2.gz ADYXUHXLBCIKGV-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2cc(F)ccc2N(C)C)CC[N@@H+]1C ZINC000876766007 643001155 /nfs/dbraw/zinc/00/11/55/643001155.db2.gz YYVLYWWFWKBWCD-CJNGLKHVSA-N 2 0 293.430 2.806 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2cc(F)ccc2N(C)C)CC[N@@H+]1C ZINC000876766008 643002178 /nfs/dbraw/zinc/00/21/78/643002178.db2.gz YYVLYWWFWKBWCD-CZUORRHYSA-N 2 0 293.430 2.806 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000876989019 643095310 /nfs/dbraw/zinc/09/53/10/643095310.db2.gz RHSNNPUZSOFBKZ-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP CC[NH+]1CCC(CC[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877063524 643129465 /nfs/dbraw/zinc/12/94/65/643129465.db2.gz INBMTDDUEUECRV-LBPRGKRZSA-N 2 0 279.255 2.892 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000877073609 643136054 /nfs/dbraw/zinc/13/60/54/643136054.db2.gz OGTUALNGBXPTSQ-KURKYZTESA-N 2 0 290.451 2.707 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000089147743 650828282 /nfs/dbraw/zinc/82/82/82/650828282.db2.gz PWHBIWNWQVDWOZ-YJBOKZPZSA-N 3 0 289.467 2.745 20 0 CFADRP CCC[C@@H](C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497071 643309765 /nfs/dbraw/zinc/30/97/65/643309765.db2.gz DOSNRDMIQPBUJG-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2cccnc2)C1 ZINC000877524849 643328456 /nfs/dbraw/zinc/32/84/56/643328456.db2.gz IKTLEIKHDUMAMM-RDJZCZTQSA-N 2 0 275.440 2.723 20 0 CFADRP CSC(C)(C)CC[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000877585071 643380179 /nfs/dbraw/zinc/38/01/79/643380179.db2.gz OYQQBGAXCICMAL-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000877644653 643428804 /nfs/dbraw/zinc/42/88/04/643428804.db2.gz YVDPOOLYZSHDJD-QWHCGFSZSA-N 2 0 291.266 2.892 20 0 CFADRP Cc1ncsc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684106 643453022 /nfs/dbraw/zinc/45/30/22/643453022.db2.gz GMEBFBSDUYHZTQ-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP Cc1ncc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000877684149 643453070 /nfs/dbraw/zinc/45/30/70/643453070.db2.gz IORDWOBRHVANSU-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)OC ZINC000877684360 643453610 /nfs/dbraw/zinc/45/36/10/643453610.db2.gz NPBUUVWYJNJEGG-CVEARBPZSA-N 2 0 282.472 2.855 20 0 CFADRP CO[C@@H](C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000877684273 643453667 /nfs/dbraw/zinc/45/36/67/643453667.db2.gz SBWQNIKCBGTMTE-KRWDZBQOSA-N 2 0 294.483 2.999 20 0 CFADRP COc1ncc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)s1 ZINC000877697259 643459081 /nfs/dbraw/zinc/45/90/81/643459081.db2.gz JRTXMKRELMJOKO-UHFFFAOYSA-N 2 0 297.468 2.752 20 0 CFADRP COC[C@H](C)C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877718867 643482605 /nfs/dbraw/zinc/48/26/05/643482605.db2.gz WODLGDIJFJLCPW-MRXNPFEDSA-N 2 0 290.451 2.522 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877739359 643506562 /nfs/dbraw/zinc/50/65/62/643506562.db2.gz DOLSENPADDCWIJ-WBVHZDCISA-N 2 0 258.409 2.829 20 0 CFADRP COC[C@H](C)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877793832 643559341 /nfs/dbraw/zinc/55/93/41/643559341.db2.gz BHJFJCTWQBGAII-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000877794467 643559846 /nfs/dbraw/zinc/55/98/46/643559846.db2.gz LPYSTEFFYQXINI-INIZCTEOSA-N 2 0 280.456 2.896 20 0 CFADRP C(CC1CC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968692 643670853 /nfs/dbraw/zinc/67/08/53/643670853.db2.gz QESALMUYWJWSHY-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000877989510 643682016 /nfs/dbraw/zinc/68/20/16/643682016.db2.gz WASSHWGHJGSORZ-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878035107 643705620 /nfs/dbraw/zinc/70/56/20/643705620.db2.gz YPZLECRNQITXIO-MRXNPFEDSA-N 2 0 280.456 2.750 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000878134068 643754475 /nfs/dbraw/zinc/75/44/75/643754475.db2.gz OQJLWRLNBJWKLJ-IAGOWNOFSA-N 2 0 292.467 2.896 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878148230 643759491 /nfs/dbraw/zinc/75/94/91/643759491.db2.gz MSPZFJCBAFPASW-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878155872 643764370 /nfs/dbraw/zinc/76/43/70/643764370.db2.gz GOFGPOYFUYQCTA-DLBZAZTESA-N 2 0 294.483 2.998 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878159839 643767966 /nfs/dbraw/zinc/76/79/66/643767966.db2.gz XJVAZRFDTNORNJ-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC000878161926 643769787 /nfs/dbraw/zinc/76/97/87/643769787.db2.gz GQHIBBKQBAAHDK-CVEARBPZSA-N 2 0 282.472 2.855 20 0 CFADRP CC1(C)CCC[C@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000878190420 643785524 /nfs/dbraw/zinc/78/55/24/643785524.db2.gz HENYBLRZQBFAEO-MRXNPFEDSA-N 2 0 289.423 2.551 20 0 CFADRP CC(C)[C@H](O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000878296103 643827081 /nfs/dbraw/zinc/82/70/81/643827081.db2.gz MJKWBXAXTPYJMC-GOSISDBHSA-N 2 0 296.499 2.981 20 0 CFADRP C=C/C=C/CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748165 644013331 /nfs/dbraw/zinc/01/33/31/644013331.db2.gz RGBXBEVPBWJBMV-ONEGZZNKSA-N 2 0 257.381 2.726 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3ccnc(Cl)c3)C2)CC1 ZINC000878864760 644055685 /nfs/dbraw/zinc/05/56/85/644055685.db2.gz NTIXARCDGDTFKH-UHFFFAOYSA-N 2 0 279.815 2.653 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](CCCCCF)CC2 ZINC000879250335 644194444 /nfs/dbraw/zinc/19/44/44/644194444.db2.gz DRFRPLTVVQOHLE-UHFFFAOYSA-N 2 0 256.409 2.934 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC000879250465 644194763 /nfs/dbraw/zinc/19/47/63/644194763.db2.gz FPZLXEWGZQHJCV-QGZVFWFLSA-N 2 0 288.435 2.528 20 0 CFADRP COC(C)(C)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250781 644194969 /nfs/dbraw/zinc/19/49/69/644194969.db2.gz ZHODOGXSIXRALS-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)CC[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879250262 644195023 /nfs/dbraw/zinc/19/50/23/644195023.db2.gz ATXPNVRJEUWELV-INIZCTEOSA-N 2 0 282.472 2.591 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCC3(CCC3)O1)CC2 ZINC000879250327 644195040 /nfs/dbraw/zinc/19/50/40/644195040.db2.gz DEQFPFOGPFJKOH-INIZCTEOSA-N 2 0 292.467 2.896 20 0 CFADRP C[NH+]1CCC2(CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000879248952 644195140 /nfs/dbraw/zinc/19/51/40/644195140.db2.gz ZYARAASGRULDDO-QGZVFWFLSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1ccccc1[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000091306304 650897154 /nfs/dbraw/zinc/89/71/54/650897154.db2.gz RFYHUSACDMPJLI-WMZOPIPTSA-N 2 0 290.451 2.738 20 0 CFADRP C[N@H+](CCCOc1ccccc1)C1CCC([NH3+])CC1 ZINC000091846540 650909721 /nfs/dbraw/zinc/90/97/21/650909721.db2.gz PEWUFNRNJMTGFK-UHFFFAOYSA-N 2 0 262.397 2.657 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000091846549 650909932 /nfs/dbraw/zinc/90/99/32/650909932.db2.gz BHFXPIKJOCTHGV-UHFFFAOYSA-N 2 0 280.387 2.796 20 0 CFADRP CCC(CC)CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201839 644579058 /nfs/dbraw/zinc/57/90/58/644579058.db2.gz TVQKUSIIGQCMHI-INIZCTEOSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000093209795 650935074 /nfs/dbraw/zinc/93/50/74/650935074.db2.gz BLQFQZUPXHIICM-AEFFLSMTSA-N 2 0 287.451 2.511 20 0 CFADRP C[C@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000880258935 644617133 /nfs/dbraw/zinc/61/71/33/644617133.db2.gz KXRRVNQVBGUVNH-JONQDZQNSA-N 2 0 271.408 2.638 20 0 CFADRP C=C/C=C/CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259439 644617206 /nfs/dbraw/zinc/61/72/06/644617206.db2.gz SXHNZCOFDIIGAN-MBVDDHJVSA-N 2 0 257.381 2.724 20 0 CFADRP C[C@H]1C[N@H+](CC2=CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259362 644617805 /nfs/dbraw/zinc/61/78/05/644617805.db2.gz RBHRYTYUWPIJAX-AWEZNQCLSA-N 2 0 257.381 2.702 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)CCN1c1cc[nH+]cc1 ZINC000880262580 644618424 /nfs/dbraw/zinc/61/84/24/644618424.db2.gz PQQFVSFEKLCSJF-CABCVRRESA-N 2 0 257.381 2.701 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)CC[N@@H+]1C ZINC000248782259 650946269 /nfs/dbraw/zinc/94/62/69/650946269.db2.gz IARVSSVLYWWQEN-XJKCOSOUSA-N 2 0 296.842 2.620 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC[C@H]1CCOC1 ZINC000880517169 644746410 /nfs/dbraw/zinc/74/64/10/644746410.db2.gz KLAJSOMFRZLPPN-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(F)cn1 ZINC000880517947 644748016 /nfs/dbraw/zinc/74/80/16/644748016.db2.gz ZLCADAJGMDDDOC-UHFFFAOYSA-N 2 0 279.403 2.919 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H]2CCC=CO2)C1 ZINC000249041584 650952524 /nfs/dbraw/zinc/95/25/24/650952524.db2.gz UYSCTMXBXBXZEG-OWCLPIDISA-N 2 0 266.429 2.637 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000251204483 650984843 /nfs/dbraw/zinc/98/48/43/650984843.db2.gz LJZGCGYRRGHYAL-HYVNUMGLSA-N 2 0 288.435 2.891 20 0 CFADRP Cc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414087 651003439 /nfs/dbraw/zinc/00/34/39/651003439.db2.gz GPTXUFLIVCFJKV-DLBZAZTESA-N 2 0 288.435 2.838 20 0 CFADRP CCc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc[nH+]1 ZINC000882820741 645470769 /nfs/dbraw/zinc/47/07/69/645470769.db2.gz ZBJHRGNKJIGXNS-AWEZNQCLSA-N 2 0 282.391 2.754 20 0 CFADRP CC(C)c1c[nH]c(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000883020297 645565999 /nfs/dbraw/zinc/56/59/99/645565999.db2.gz XVALPVNQYHBWJA-AGUYFDCRSA-N 2 0 276.428 2.638 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883049881 645582651 /nfs/dbraw/zinc/58/26/51/645582651.db2.gz XTDICDWHYADENC-WTNVTLLGSA-N 2 0 292.467 2.533 20 0 CFADRP CC(C)[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000252841510 651027029 /nfs/dbraw/zinc/02/70/29/651027029.db2.gz CDMDMJAFPRGACA-VIYLOZMYSA-N 2 0 250.430 2.885 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000131175725 645647953 /nfs/dbraw/zinc/64/79/53/645647953.db2.gz GISUKFJEGGIMGT-HNNXBMFYSA-N 2 0 294.464 2.612 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000883185657 645648358 /nfs/dbraw/zinc/64/83/58/645648358.db2.gz BJSORMCNOXQRBN-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883188696 645650690 /nfs/dbraw/zinc/65/06/90/645650690.db2.gz ORMGWWRKBPPJKF-CVEARBPZSA-N 2 0 280.456 2.536 20 0 CFADRP C([C@@H]1CCOC1)[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883190972 645653083 /nfs/dbraw/zinc/65/30/83/645653083.db2.gz PCQQABSRYVMFBN-DOTOQJQBSA-N 2 0 292.467 2.800 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883207283 645664703 /nfs/dbraw/zinc/66/47/03/645664703.db2.gz KBMVWXLSFVXWIO-YESZJQIVSA-N 2 0 292.467 2.677 20 0 CFADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC000883217190 645671172 /nfs/dbraw/zinc/67/11/72/645671172.db2.gz DHYABTNQHUGVEJ-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC(F)(F)C2)CC1(C)C ZINC000883250784 645698416 /nfs/dbraw/zinc/69/84/16/645698416.db2.gz OERRBANPONDERI-NSHDSACASA-N 2 0 260.372 2.884 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCSC1)C(C)(C)C ZINC000131518445 645739204 /nfs/dbraw/zinc/73/92/04/645739204.db2.gz MPICFPHNVRCXLR-CHWSQXEVSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000253200645 651039918 /nfs/dbraw/zinc/03/99/18/651039918.db2.gz XJFFYPZWZXVWFM-KMFMINBZSA-N 2 0 258.409 2.981 20 0 CFADRP CCCOc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131627645 645767232 /nfs/dbraw/zinc/76/72/32/645767232.db2.gz NSYKICOROIQBQM-LSDHHAIUSA-N 2 0 292.423 2.523 20 0 CFADRP C[N@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883416417 645809409 /nfs/dbraw/zinc/80/94/09/645809409.db2.gz UHQAPTBGRYAIOX-SJORKVTESA-N 2 0 274.408 2.591 20 0 CFADRP CC[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)CC[C@H]1[NH3+] ZINC000883427059 645820926 /nfs/dbraw/zinc/82/09/26/645820926.db2.gz HIDBOTMEYJLWGQ-JHJVBQTASA-N 2 0 260.372 2.871 20 0 CFADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000883429254 645824234 /nfs/dbraw/zinc/82/42/34/645824234.db2.gz QICWWLWDZIPDBI-HUUCEWRRSA-N 2 0 277.412 2.503 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C[C@H]1C[NH3+] ZINC000883432314 645826993 /nfs/dbraw/zinc/82/69/93/645826993.db2.gz PCYIPPZFIKUINB-NRSFXHEJSA-N 2 0 288.435 2.823 20 0 CFADRP CN(C[C@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)[NH3+] ZINC000883434780 645827983 /nfs/dbraw/zinc/82/79/83/645827983.db2.gz AVNRVDOKIWYAFL-CABCVRRESA-N 2 0 262.397 2.576 20 0 CFADRP CCC1([NH+]2CCCCC2)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000883448016 645836950 /nfs/dbraw/zinc/83/69/50/645836950.db2.gz ROZBDACZBLQANB-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP COC(=O)C(C)(C)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(C)C ZINC000883460772 645843787 /nfs/dbraw/zinc/84/37/87/645843787.db2.gz GDYVYGJNMHOQHL-HNNXBMFYSA-N 2 0 298.471 2.533 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000883464031 645847061 /nfs/dbraw/zinc/84/70/61/645847061.db2.gz CTMZFRNIZKOHBH-IUODEOHRSA-N 2 0 259.397 2.521 20 0 CFADRP CC[NH+](CC)CCCOC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000800221691 646194428 /nfs/dbraw/zinc/19/44/28/646194428.db2.gz XFEANCAKBNVOCT-MRXNPFEDSA-N 2 0 296.455 2.669 20 0 CFADRP C[C@H](c1cccc(O)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000134011816 646265269 /nfs/dbraw/zinc/26/52/69/646265269.db2.gz UPINBIXDCRPREO-CYBMUJFWSA-N 2 0 262.397 2.727 20 0 CFADRP Fc1cccc(/C=C\C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000885924189 646770208 /nfs/dbraw/zinc/77/02/08/646770208.db2.gz JXHWPPFORKPMFN-XQRVVYSFSA-N 2 0 292.398 2.541 20 0 CFADRP Cc1n[nH]c(C[NH2+]CCCCCCC[NH+](C)C)c1C ZINC000885944017 646777278 /nfs/dbraw/zinc/77/72/78/646777278.db2.gz JDJMIBNZXPRDDF-UHFFFAOYSA-N 2 0 266.433 2.628 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](OC)CC2)C1 ZINC000885953970 646781102 /nfs/dbraw/zinc/78/11/02/646781102.db2.gz KNTMFQHZULDHHW-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCOC2CCCCC2)CC1 ZINC000885964099 646787351 /nfs/dbraw/zinc/78/73/51/646787351.db2.gz WSSVCYPEQIHCGY-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C([C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1)[NH+]1CCCC1 ZINC000886019164 646820978 /nfs/dbraw/zinc/82/09/78/646820978.db2.gz MWLOPGDWIGQLSZ-IAGOWNOFSA-N 2 0 292.467 2.753 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886032768 646831093 /nfs/dbraw/zinc/83/10/93/646831093.db2.gz NMRMVQYWTOBATL-IRXDYDNUSA-N 2 0 280.456 2.750 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCC3(CCC3)CO1)C2 ZINC000886220420 646926508 /nfs/dbraw/zinc/92/65/08/646926508.db2.gz HVKYGRBWHAPTJD-WMZOPIPTSA-N 2 0 292.467 2.753 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC2(CCC2)C1 ZINC000886343277 646979151 /nfs/dbraw/zinc/97/91/51/646979151.db2.gz UBOFHCACJCQKKC-BBWFWOEESA-N 2 0 292.467 2.942 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487819 647016357 /nfs/dbraw/zinc/01/63/57/647016357.db2.gz WPTDGWPZDKUNPI-UHFFFAOYSA-N 3 0 295.515 2.961 20 0 CFADRP CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000886507689 647023190 /nfs/dbraw/zinc/02/31/90/647023190.db2.gz VGTWRNQYKQYKGQ-WBVHZDCISA-N 2 0 292.471 2.829 20 0 CFADRP Cc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)no1 ZINC000886512398 647024864 /nfs/dbraw/zinc/02/48/64/647024864.db2.gz DXMIQZOHHPMPEQ-UHFFFAOYSA-N 2 0 277.412 2.870 20 0 CFADRP COC[C@@H](C)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886512282 647024964 /nfs/dbraw/zinc/02/49/64/647024964.db2.gz BJDINIKSZCKNHI-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000886516285 647025723 /nfs/dbraw/zinc/02/57/23/647025723.db2.gz ATLIKLOVCOCFGL-RHSMWYFYSA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)C[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886518811 647026254 /nfs/dbraw/zinc/02/62/54/647026254.db2.gz GZHIONIRYJVPGC-CGZBRXJRSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@@](C)(O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886524923 647029460 /nfs/dbraw/zinc/02/94/60/647029460.db2.gz UEHYPUOAKDARRD-UYSNPLJNSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCOC1 ZINC000886526648 647030224 /nfs/dbraw/zinc/03/02/24/647030224.db2.gz PHOWABUMNFODCI-AQFXKWCLSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000886533284 647033531 /nfs/dbraw/zinc/03/35/31/647033531.db2.gz YGTKVJGHUYALKV-NJINODPHSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CCN(CC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886534198 647034364 /nfs/dbraw/zinc/03/43/64/647034364.db2.gz CXRPJTKEWWQIDQ-AOCRQIFASA-N 2 0 293.499 2.715 20 0 CFADRP CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000886536879 647035628 /nfs/dbraw/zinc/03/56/28/647035628.db2.gz PXNAXLKJHYRXBD-XHSDSOJGSA-N 2 0 278.444 2.580 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886543138 647039540 /nfs/dbraw/zinc/03/95/40/647039540.db2.gz LDTQEWMZBZHFKH-GTPINHCMSA-N 2 0 290.455 2.658 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886543139 647039964 /nfs/dbraw/zinc/03/99/64/647039964.db2.gz LDTQEWMZBZHFKH-KLAILNCOSA-N 2 0 290.455 2.658 20 0 CFADRP C/C=C\C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886594373 647059177 /nfs/dbraw/zinc/05/91/77/647059177.db2.gz LFNLQNHPWLSAEI-QYEFSBCOSA-N 2 0 280.456 2.700 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000886594800 647059450 /nfs/dbraw/zinc/05/94/50/647059450.db2.gz UNXMKQBMKVGVMP-NALMEZQBSA-N 2 0 294.483 2.924 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000886599264 647061772 /nfs/dbraw/zinc/06/17/72/647061772.db2.gz VDRFWVPAFUISCK-GYXIZQIFSA-N 2 0 280.456 2.534 20 0 CFADRP C[C@H](CCCO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617568 647070813 /nfs/dbraw/zinc/07/08/13/647070813.db2.gz SEBHWWMYWFHDAV-KLAILNCOSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1(CO)CC1 ZINC000886636274 647080875 /nfs/dbraw/zinc/08/08/75/647080875.db2.gz JTFJNEZYQULYEY-FHERZECASA-N 2 0 280.456 2.534 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000886643398 647084951 /nfs/dbraw/zinc/08/49/51/647084951.db2.gz TVHJGGPIOVLOTH-JDEYZFBPSA-N 2 0 292.467 2.941 20 0 CFADRP CC(C)[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnn(C)c1 ZINC000886646966 647086379 /nfs/dbraw/zinc/08/63/79/647086379.db2.gz ZIEQQOAHNFSIIW-CGZBRXJRSA-N 2 0 292.471 2.970 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000886694483 647114989 /nfs/dbraw/zinc/11/49/89/647114989.db2.gz XCLPYNFFAHQVDV-NQZOLGFYSA-N 2 0 262.441 2.743 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@@H]2CCC(C)(C)O2)CC1 ZINC000886716425 647120190 /nfs/dbraw/zinc/12/01/90/647120190.db2.gz YLHJNZRREMJZPA-HNNXBMFYSA-N 2 0 280.456 2.894 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCC2CCOCC2)CC1 ZINC000886718113 647121691 /nfs/dbraw/zinc/12/16/91/647121691.db2.gz QRNRGIVXJSKCBQ-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000886838074 647158401 /nfs/dbraw/zinc/15/84/01/647158401.db2.gz QWSXJUFSXRBMPQ-ZACQAIPSSA-N 2 0 262.441 2.744 20 0 CFADRP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000886858131 647162692 /nfs/dbraw/zinc/16/26/92/647162692.db2.gz NXONNSNNYIHAIK-STQMWFEESA-N 2 0 276.346 2.650 20 0 CFADRP Fc1cccc(F)c1[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000886859906 647163157 /nfs/dbraw/zinc/16/31/57/647163157.db2.gz JQMOKTIPZJGKRM-QWHCGFSZSA-N 2 0 280.362 2.754 20 0 CFADRP [NH3+]CCCCCCN(CC[NH3+])Cc1cccc(Cl)c1 ZINC000886863905 647163775 /nfs/dbraw/zinc/16/37/75/647163775.db2.gz YYHQIQUILJKXQZ-UHFFFAOYSA-N 2 0 283.847 2.620 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC000886874241 647165512 /nfs/dbraw/zinc/16/55/12/647165512.db2.gz JWXHUMBOWZDINJ-GOSISDBHSA-N 2 0 286.419 2.682 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886871778 647165615 /nfs/dbraw/zinc/16/56/15/647165615.db2.gz ATWRUDNWDIOAIZ-GOEBONIOSA-N 2 0 259.397 2.608 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876136 647166500 /nfs/dbraw/zinc/16/65/00/647166500.db2.gz MMWNESDIFBALAB-AEFFLSMTSA-N 2 0 292.467 2.801 20 0 CFADRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NCC2CC2)c1 ZINC000887348438 647278679 /nfs/dbraw/zinc/27/86/79/647278679.db2.gz IYRDAOOFUNNPRL-UHFFFAOYSA-N 2 0 288.439 2.552 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000300413047 647330482 /nfs/dbraw/zinc/33/04/82/647330482.db2.gz XVUNMZLKSPJXAK-KWCYVHTRSA-N 2 0 256.459 2.590 20 0 CFADRP CCN1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925494854 647846036 /nfs/dbraw/zinc/84/60/36/647846036.db2.gz PGNAFBSWXLVPPB-SJORKVTESA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925496708 647884321 /nfs/dbraw/zinc/88/43/21/647884321.db2.gz VJIJQCFQBHKJMD-DFBGVHRSSA-N 2 0 262.372 2.616 20 0 CFADRP CCOCCC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924526197 647987083 /nfs/dbraw/zinc/98/70/83/647987083.db2.gz SUFLDNLJOMQWLJ-CQSZACIVSA-N 2 0 264.413 2.825 20 0 CFADRP CCOCCC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924526196 647987310 /nfs/dbraw/zinc/98/73/10/647987310.db2.gz SUFLDNLJOMQWLJ-AWEZNQCLSA-N 2 0 264.413 2.825 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccnnc1 ZINC000924528584 647987906 /nfs/dbraw/zinc/98/79/06/647987906.db2.gz OBFJDRCATIHTTC-KGLIPLIRSA-N 2 0 264.417 2.638 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)no1 ZINC000924528578 647988212 /nfs/dbraw/zinc/98/82/12/647988212.db2.gz NXJAJUDZBXIJMU-STQMWFEESA-N 2 0 283.416 2.844 20 0 CFADRP COc1ccc(CC[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000924529437 647988273 /nfs/dbraw/zinc/98/82/73/647988273.db2.gz PIUGTSNYFFXHPR-QZTJIDSGSA-N 2 0 288.435 2.844 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000924570097 647997557 /nfs/dbraw/zinc/99/75/57/647997557.db2.gz MOHUVCJJULKBGW-ZDUSSCGKSA-N 2 0 275.440 2.911 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000924571992 647997789 /nfs/dbraw/zinc/99/77/89/647997789.db2.gz PUKMFEJKTQZCDA-ULQDDVLXSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924578675 647999294 /nfs/dbraw/zinc/99/92/94/647999294.db2.gz OUDUKFDSIQUWTJ-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000924578677 647999431 /nfs/dbraw/zinc/99/94/31/647999431.db2.gz OUDUKFDSIQUWTJ-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC(NCC2([NH+](C)C)CCCC2)CC1 ZINC000924579513 647999594 /nfs/dbraw/zinc/99/95/94/647999594.db2.gz WNOFVXMXEDUSFA-UHFFFAOYSA-N 2 0 295.515 2.961 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000924583300 648001059 /nfs/dbraw/zinc/00/10/59/648001059.db2.gz RPQNGXMPSLATOQ-QZTJIDSGSA-N 2 0 288.435 2.797 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C1(Br)CC1 ZINC000924616215 648008748 /nfs/dbraw/zinc/00/87/48/648008748.db2.gz AFHOYGZPIDXGOM-NSHDSACASA-N 2 0 277.250 2.622 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000924628209 648009727 /nfs/dbraw/zinc/00/97/27/648009727.db2.gz INMHEPAOIGGIQL-MRXNPFEDSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000924629592 648012599 /nfs/dbraw/zinc/01/25/99/648012599.db2.gz VHQZTMARKCYZIR-LBPRGKRZSA-N 2 0 258.837 2.856 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000924682705 648025722 /nfs/dbraw/zinc/02/57/22/648025722.db2.gz WVSKQJKVNYFWEM-HZPDHXFCSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]1OC[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000924684062 648026366 /nfs/dbraw/zinc/02/63/66/648026366.db2.gz ISSTZFYTSSFOGW-DMRKSPOLSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2[C@@H](C)COC[C@@H]2C)C1 ZINC000924689797 648027796 /nfs/dbraw/zinc/02/77/96/648027796.db2.gz ZAIFUPPSIYPRGT-PMPSAXMXSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C(C)(C)CO ZINC000924688150 648028089 /nfs/dbraw/zinc/02/80/89/648028089.db2.gz RBTWQMBFCBUXHS-CABCVRRESA-N 2 0 270.461 2.638 20 0 CFADRP CC1(C)CC2(CC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CO1 ZINC000924695522 648028442 /nfs/dbraw/zinc/02/84/42/648028442.db2.gz LVPDEDFSNIBEKV-HCEZTOJASA-N 2 0 278.440 2.551 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924710707 648032803 /nfs/dbraw/zinc/03/28/03/648032803.db2.gz BGQDISVULNNCLH-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP OCCC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713786 648033756 /nfs/dbraw/zinc/03/37/56/648033756.db2.gz SVXGAQVTCDPBSD-SJLPKXTDSA-N 2 0 294.483 2.782 20 0 CFADRP COC[C@@H](C)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924793958 648048878 /nfs/dbraw/zinc/04/88/78/648048878.db2.gz XDCYDMPJHOXUHQ-UONOGXRCSA-N 2 0 264.413 2.681 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H](C)C2(Cl)CC2)CC1 ZINC000924954672 648078754 /nfs/dbraw/zinc/07/87/54/648078754.db2.gz HYHVICPPTRLIMH-GFCCVEGCSA-N 2 0 258.837 2.858 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924962794 648080574 /nfs/dbraw/zinc/08/05/74/648080574.db2.gz GPACUBOCXNWPIA-FUHWJXTLSA-N 2 0 287.451 2.724 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCN(C)C1CCCC1 ZINC000924970608 648083174 /nfs/dbraw/zinc/08/31/74/648083174.db2.gz RROLBNIJIYPBNV-GOEBONIOSA-N 2 0 270.461 2.780 20 0 CFADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](C3CC3)C(C)(C)C)C2)CC1 ZINC000925039158 648092849 /nfs/dbraw/zinc/09/28/49/648092849.db2.gz BBEBLAMEGHUXKD-DOTOQJQBSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccnnc1 ZINC000925075670 648101066 /nfs/dbraw/zinc/10/10/66/648101066.db2.gz SDEZFYUZXXQQPR-LBPRGKRZSA-N 2 0 288.370 2.528 20 0 CFADRP C[NH+]1CCC(O)(C[NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000925117255 648109679 /nfs/dbraw/zinc/10/96/79/648109679.db2.gz OCWLUQUPYQMRFR-UHFFFAOYSA-N 2 0 294.483 2.782 20 0 CFADRP C[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000925137134 648115054 /nfs/dbraw/zinc/11/50/54/648115054.db2.gz SKIVVEMHGGEKLD-NYTXWWLZSA-N 2 0 294.464 2.756 20 0 CFADRP C[C@H](NCc1ccon1)c1cccc(C[NH+](C)C)c1 ZINC000925212519 648132462 /nfs/dbraw/zinc/13/24/62/648132462.db2.gz RWXQZVJOFCLNDD-LBPRGKRZSA-N 2 0 259.353 2.587 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC23CCCCC3)C1 ZINC000925222392 648135755 /nfs/dbraw/zinc/13/57/55/648135755.db2.gz SKSKZRFYTJWTGS-OAGGEKHMSA-N 2 0 280.456 2.941 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000925233368 648138131 /nfs/dbraw/zinc/13/81/31/648138131.db2.gz UMQRDHUZFRUJPM-IAGOWNOFSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000925250816 648142480 /nfs/dbraw/zinc/14/24/80/648142480.db2.gz VCHJSLSCVYNVTP-RHSMWYFYSA-N 2 0 276.424 2.968 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000925263394 648145933 /nfs/dbraw/zinc/14/59/33/648145933.db2.gz KZDRODSIQGFHHC-IYBDPMFKSA-N 2 0 282.472 2.638 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925442329 648170453 /nfs/dbraw/zinc/17/04/53/648170453.db2.gz IBSVJOGYLVYFDV-SJLPKXTDSA-N 2 0 287.451 2.859 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925475435 648178319 /nfs/dbraw/zinc/17/83/19/648178319.db2.gz CWBAXNRXPWPJPZ-IXDOHACOSA-N 2 0 282.472 2.541 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCSC(F)(F)F)C1 ZINC000925484250 648180832 /nfs/dbraw/zinc/18/08/32/648180832.db2.gz DAVSWMYXMVCDPO-RKDXNWHRSA-N 2 0 270.364 2.735 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000925485882 648181187 /nfs/dbraw/zinc/18/11/87/648181187.db2.gz DZKBEEDPTJXTFJ-HOTGVXAUSA-N 3 0 279.472 2.502 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925496327 648182888 /nfs/dbraw/zinc/18/28/88/648182888.db2.gz QJQYFXVOQJTGDU-OIISXLGYSA-N 2 0 287.451 2.552 20 0 CFADRP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925498075 648184412 /nfs/dbraw/zinc/18/44/12/648184412.db2.gz BXGLEHUQYKULNK-MSOLQXFVSA-N 2 0 299.462 2.525 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000925498917 648185643 /nfs/dbraw/zinc/18/56/43/648185643.db2.gz TUZJRAKVXJVWTJ-XAZSACEBSA-N 2 0 299.462 2.761 20 0 CFADRP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925501467 648186803 /nfs/dbraw/zinc/18/68/03/648186803.db2.gz BXJRXFMVONGPCE-HRCADAONSA-N 2 0 282.472 2.541 20 0 CFADRP c1ccc(C[N@@H+]2CC[C@@H](N[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925507213 648189906 /nfs/dbraw/zinc/18/99/06/648189906.db2.gz UOGMDWOIBWCFAR-QZTJIDSGSA-N 2 0 299.462 2.525 20 0 CFADRP CC1(C)C[C@@H]([NH2+]Cc2ccccc2F)C[C@@H]([NH3+])C1 ZINC000925507749 648189948 /nfs/dbraw/zinc/18/99/48/648189948.db2.gz XGJVVXNGIFIBIM-OLZOCXBDSA-N 2 0 250.361 2.821 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000925512518 648192556 /nfs/dbraw/zinc/19/25/56/648192556.db2.gz FGAOJTXQYJWAHJ-XYJFISCASA-N 2 0 289.467 2.929 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C12CCC2 ZINC000925512878 648192671 /nfs/dbraw/zinc/19/26/71/648192671.db2.gz GJGVRWYCEDPBMG-UONOGXRCSA-N 2 0 296.361 2.690 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC2)C12CCC2 ZINC000925512519 648192746 /nfs/dbraw/zinc/19/27/46/648192746.db2.gz FHIPMIDISSSSQK-CABCVRRESA-N 2 0 274.383 2.717 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C12CCCC2 ZINC000925514742 648193692 /nfs/dbraw/zinc/19/36/92/648193692.db2.gz BSECNPDEGIPQRZ-CBBWQLFWSA-N 2 0 278.440 2.584 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1cccc(-n2ccnc2)c1 ZINC000925517502 648195455 /nfs/dbraw/zinc/19/54/55/648195455.db2.gz VUESIGHAYWHNLL-IAOVAPTHSA-N 2 0 296.418 2.793 20 0 CFADRP C[N@H+](CCCN[C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000925518276 648195614 /nfs/dbraw/zinc/19/56/14/648195614.db2.gz OKJIGPBAUFFTQU-INIZCTEOSA-N 2 0 279.472 2.515 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925520389 648196706 /nfs/dbraw/zinc/19/67/06/648196706.db2.gz FYIIREAYXKZTAB-ZACQAIPSSA-N 2 0 290.451 2.648 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC000925522797 648198752 /nfs/dbraw/zinc/19/87/52/648198752.db2.gz UXMCGBNCJSLPBP-RRQGHBQHSA-N 2 0 288.435 2.876 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC000925528320 648201373 /nfs/dbraw/zinc/20/13/73/648201373.db2.gz DLUSUPZFFWWDOP-HZPDHXFCSA-N 2 0 276.424 2.699 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000925531878 648203522 /nfs/dbraw/zinc/20/35/22/648203522.db2.gz BYRJELCDHLISPL-HZPDHXFCSA-N 2 0 298.434 2.868 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)C12CCC2 ZINC000925533545 648204443 /nfs/dbraw/zinc/20/44/43/648204443.db2.gz NNDUWRGXLMWJMA-CABCVRRESA-N 2 0 256.393 2.578 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCOCC1 ZINC000925537703 648205460 /nfs/dbraw/zinc/20/54/60/648205460.db2.gz LPZUEBZFKSJZBZ-KFWWJZLASA-N 2 0 268.445 2.687 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)CC(C)C ZINC000925535628 648205468 /nfs/dbraw/zinc/20/54/68/648205468.db2.gz HVLXATVMIWCWIL-JYJNAYRXSA-N 2 0 281.488 2.602 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543141 648209230 /nfs/dbraw/zinc/20/92/30/648209230.db2.gz QYHWZGCOASHMSV-KURKYZTESA-N 3 0 289.467 2.929 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925553186 648213559 /nfs/dbraw/zinc/21/35/59/648213559.db2.gz OGWUNJUGQAAYJZ-IXDOHACOSA-N 3 0 295.515 2.994 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925554292 648214454 /nfs/dbraw/zinc/21/44/54/648214454.db2.gz XPLOYLTWPREONX-BZUAXINKSA-N 3 0 279.472 2.501 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925557342 648215466 /nfs/dbraw/zinc/21/54/66/648215466.db2.gz OSASUOHPYZGICD-SNPRPXQTSA-N 2 0 293.480 2.669 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000925561911 648217191 /nfs/dbraw/zinc/21/71/91/648217191.db2.gz MKDQEWKPBXFKGZ-ZPVISIIKSA-N 2 0 288.410 2.963 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000925561622 648217592 /nfs/dbraw/zinc/21/75/92/648217592.db2.gz LDFZLJMPVFQRDP-LVYZTWJOSA-N 2 0 292.467 2.798 20 0 CFADRP Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925562319 648217930 /nfs/dbraw/zinc/21/79/30/648217930.db2.gz HCVLQKNPXRNPTD-HRCADAONSA-N 2 0 288.435 2.930 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(Cl)c1 ZINC000925573316 648223338 /nfs/dbraw/zinc/22/33/38/648223338.db2.gz MUEIZKVFSWPDOK-UGFHNGPFSA-N 2 0 294.826 2.967 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925577358 648224368 /nfs/dbraw/zinc/22/43/68/648224368.db2.gz RALVFCPISXIDDH-UGUYLWEFSA-N 2 0 282.472 2.933 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCNc2ccc3ccccc3n2)C12CCC2 ZINC000925579255 648225236 /nfs/dbraw/zinc/22/52/36/648225236.db2.gz KPHZEXLVGHWDHF-CVEARBPZSA-N 2 0 296.418 2.506 20 0 CFADRP C1CCC([C@@H]2C[NH2+]CC[C@@H]2[NH2+]C2CCSCC2)C1 ZINC000925589633 648229654 /nfs/dbraw/zinc/22/96/54/648229654.db2.gz AITZQZKNRJFEQN-GJZGRUSLSA-N 2 0 268.470 2.640 20 0 CFADRP CSC1CC([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000925587953 648229707 /nfs/dbraw/zinc/22/97/07/648229707.db2.gz LNBLGLOFWQMUFY-WLYUNCDWSA-N 2 0 270.486 2.838 20 0 CFADRP [NH3+][C@@H]1C[C@H](N[C@@H]2CCOc3c(F)cccc32)C12CCC2 ZINC000925605704 648236327 /nfs/dbraw/zinc/23/63/27/648236327.db2.gz SCDGJCNTJWIPRX-MCIONIFRSA-N 2 0 276.355 2.509 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000925608479 648237667 /nfs/dbraw/zinc/23/76/67/648237667.db2.gz YSMAXOVFDDCMIG-IRXDYDNUSA-N 2 0 298.434 2.830 20 0 CFADRP CC(C)[C@H](CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[NH+]1CCCC1 ZINC000925606659 648238094 /nfs/dbraw/zinc/23/80/94/648238094.db2.gz PMRXJGKMGQUVDW-OAGGEKHMSA-N 2 0 281.488 2.602 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000925609376 648238907 /nfs/dbraw/zinc/23/89/07/648238907.db2.gz ARJYIEUBFNOGDE-MRXNPFEDSA-N 2 0 258.365 2.892 20 0 CFADRP C(CCC[NH2+][C@H]1CC[NH2+]C12CCC2)CCC[NH+]1CCCC1 ZINC000925610292 648239340 /nfs/dbraw/zinc/23/93/40/648239340.db2.gz ZJUZIVJMLZAOEQ-KRWDZBQOSA-N 2 0 293.499 2.907 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C1CCC(CO)CC1)c1ccccc1 ZINC000925613296 648240573 /nfs/dbraw/zinc/24/05/73/648240573.db2.gz XRVXJAPGGXJBSZ-BDVYOWHSSA-N 2 0 276.424 2.607 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925617711 648241238 /nfs/dbraw/zinc/24/12/38/648241238.db2.gz RCRDBSGEIXOVKN-HZPDHXFCSA-N 2 0 280.456 2.561 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H]1CC[NH2+]C12CCC2)OC ZINC000925616191 648241776 /nfs/dbraw/zinc/24/17/76/648241776.db2.gz KUUIGUMODBXOOV-GJZGRUSLSA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620036 648242973 /nfs/dbraw/zinc/24/29/73/648242973.db2.gz SLYWUSRBDMRYBC-VEAXJEOVSA-N 2 0 296.458 2.939 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2(C3CC3)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925621930 648243910 /nfs/dbraw/zinc/24/39/10/648243910.db2.gz KFJGMXTWDTXAKJ-QLFBSQMISA-N 2 0 262.441 2.933 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000925623794 648244972 /nfs/dbraw/zinc/24/49/72/648244972.db2.gz STJFXAGALPOJQH-BZUAXINKSA-N 2 0 276.424 2.606 20 0 CFADRP Cc1cnccc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925626917 648245998 /nfs/dbraw/zinc/24/59/98/648245998.db2.gz VDCXIBBSUBKDDK-ROUUACIJSA-N 2 0 287.451 2.690 20 0 CFADRP C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C[NH+](C)C)c1 ZINC000925626296 648246535 /nfs/dbraw/zinc/24/65/35/648246535.db2.gz PNRSLUYYAWLDHC-DYVFJYSZSA-N 2 0 276.424 2.560 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000925625953 648246557 /nfs/dbraw/zinc/24/65/57/648246557.db2.gz JJAIICLYYFLBTA-ILXRZTDVSA-N 2 0 280.456 2.844 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCO1 ZINC000925627595 648247668 /nfs/dbraw/zinc/24/76/68/648247668.db2.gz WJTRNHKVJPFZIC-OWYFMNJBSA-N 2 0 294.483 2.946 20 0 CFADRP CCC(CC)(CO)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925627130 648248233 /nfs/dbraw/zinc/24/82/33/648248233.db2.gz WRDNBAVRZUAUAI-JKSUJKDBSA-N 2 0 282.472 2.543 20 0 CFADRP c1ccc2c(c1)CC[C@@H](C[NH2+][C@H]1CC[NH2+]C13CCC3)C2 ZINC000925629657 648249030 /nfs/dbraw/zinc/24/90/30/648249030.db2.gz LZBJXSRUOCBLLC-PBHICJAKSA-N 2 0 270.420 2.666 20 0 CFADRP Cc1cncc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925628993 648249109 /nfs/dbraw/zinc/24/91/09/648249109.db2.gz JHURWVWOTUYGSE-SJORKVTESA-N 2 0 273.424 2.648 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccco1 ZINC000925631737 648251052 /nfs/dbraw/zinc/25/10/52/648251052.db2.gz JCIBNYVATUWGHY-MCIONIFRSA-N 2 0 280.412 2.853 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000925633551 648253037 /nfs/dbraw/zinc/25/30/37/648253037.db2.gz FFIHLHULXFWSEH-AAEUAGOBSA-N 2 0 267.804 2.731 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000925635179 648253362 /nfs/dbraw/zinc/25/33/62/648253362.db2.gz RZMGOUGTKUQZMP-INIZCTEOSA-N 2 0 273.424 2.753 20 0 CFADRP CS[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925637380 648254486 /nfs/dbraw/zinc/25/44/86/648254486.db2.gz JVNKSGABZIIYNG-SDDRHHMPSA-N 2 0 256.459 2.624 20 0 CFADRP Cn1nc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc21 ZINC000925638324 648255693 /nfs/dbraw/zinc/25/56/93/648255693.db2.gz ATNCOAJXDTUSCP-OLZOCXBDSA-N 2 0 286.423 2.569 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000925638551 648255902 /nfs/dbraw/zinc/25/59/02/648255902.db2.gz DEYGKJDMGGEFSX-WBVHZDCISA-N 2 0 289.467 2.787 20 0 CFADRP C[NH+](C)CC1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCC1 ZINC000925640965 648257274 /nfs/dbraw/zinc/25/72/74/648257274.db2.gz WSABHMJCJPXSOG-CABCVRRESA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000925643480 648258415 /nfs/dbraw/zinc/25/84/15/648258415.db2.gz JIQWRRFGROIWNQ-BBWFWOEESA-N 2 0 276.424 2.607 20 0 CFADRP COCCC1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCCC1 ZINC000925645894 648259303 /nfs/dbraw/zinc/25/93/03/648259303.db2.gz SLXOBWTVRAXJCZ-SMLCLMEVSA-N 2 0 292.467 2.559 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925650415 648261064 /nfs/dbraw/zinc/26/10/64/648261064.db2.gz UVZPVACRJWJJNI-HOTGVXAUSA-N 2 0 282.472 2.686 20 0 CFADRP CC1(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925653259 648262981 /nfs/dbraw/zinc/26/29/81/648262981.db2.gz LFFJMTWSUNVUFN-CABCVRRESA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925657114 648265920 /nfs/dbraw/zinc/26/59/20/648265920.db2.gz CEFQXMNPKSJFSV-PMPSAXMXSA-N 2 0 276.424 2.524 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925657110 648266458 /nfs/dbraw/zinc/26/64/58/648266458.db2.gz CEFQXMNPKSJFSV-JYJNAYRXSA-N 2 0 276.424 2.524 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc3ncccc3c2)C12CCC2 ZINC000925662915 648268811 /nfs/dbraw/zinc/26/88/11/648268811.db2.gz MFTKVRTWZCMFSC-CVEARBPZSA-N 2 0 267.376 2.594 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc3ncccc3c2)C12CCC2 ZINC000925662916 648268910 /nfs/dbraw/zinc/26/89/10/648268910.db2.gz MFTKVRTWZCMFSC-HOTGVXAUSA-N 2 0 267.376 2.594 20 0 CFADRP CC(C)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C(F)(F)F ZINC000925663882 648269559 /nfs/dbraw/zinc/26/95/59/648269559.db2.gz AXQIOORFHGYCQS-VWYCJHECSA-N 2 0 278.362 2.941 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C[C@@H](C)O1 ZINC000925665569 648269589 /nfs/dbraw/zinc/26/95/89/648269589.db2.gz LNOFTNBMBDTHLG-FMKPAKJESA-N 2 0 280.456 2.844 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C1CC1 ZINC000925673828 648274486 /nfs/dbraw/zinc/27/44/86/648274486.db2.gz OWECYSJMMCWSEK-JKSUJKDBSA-N 2 0 258.409 2.910 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925676651 648275415 /nfs/dbraw/zinc/27/54/15/648275415.db2.gz OMFGKADKBTXYKM-SZMVWBNQSA-N 2 0 295.515 2.865 20 0 CFADRP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925677292 648275908 /nfs/dbraw/zinc/27/59/08/648275908.db2.gz SEMNBSIBMMIRNH-ZMSDIMECSA-N 2 0 277.456 2.785 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925682887 648278443 /nfs/dbraw/zinc/27/84/43/648278443.db2.gz HDADJVBIKQIPKA-QNWHQSFQSA-N 2 0 272.383 2.788 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925691269 648281711 /nfs/dbraw/zinc/28/17/11/648281711.db2.gz NRDQHAQLJOTWAL-QSPRXWTASA-N 2 0 286.419 2.658 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000925699234 648284791 /nfs/dbraw/zinc/28/47/91/648284791.db2.gz JHYODEWOHLINGY-IBGZPJMESA-N 3 0 295.430 2.860 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccc2ccccc2c1 ZINC000925700245 648284858 /nfs/dbraw/zinc/28/48/58/648284858.db2.gz OIIMPGDUKLARPH-OKZBNKHCSA-N 2 0 295.430 2.699 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000925703245 648286164 /nfs/dbraw/zinc/28/61/64/648286164.db2.gz SKNPJXMJWHKEMO-XAZSACEBSA-N 2 0 299.462 2.909 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc2c1C[NH2+]C2 ZINC000925701065 648286311 /nfs/dbraw/zinc/28/63/11/648286311.db2.gz VFBJEYWQNMELLP-QGPMSJSTSA-N 2 0 286.419 2.585 20 0 CFADRP CC1(C)C[C@@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)C[C@@H]([NH3+])C1 ZINC000925704777 648287345 /nfs/dbraw/zinc/28/73/45/648287345.db2.gz FEXYQPOZVODWOJ-ILXRZTDVSA-N 2 0 292.398 2.625 20 0 CFADRP CC1(C)[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925707518 648289244 /nfs/dbraw/zinc/28/92/44/648289244.db2.gz OXCVPBRLQJHQOX-NCOADZHNSA-N 2 0 285.435 2.622 20 0 CFADRP COCC1(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925708481 648289718 /nfs/dbraw/zinc/28/97/18/648289718.db2.gz SQNYGMUPHWRHNW-MRXNPFEDSA-N 2 0 276.424 2.873 20 0 CFADRP C[C@@]1(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1(F)F ZINC000925712194 648291623 /nfs/dbraw/zinc/29/16/23/648291623.db2.gz WTBUJTSJSLGWCW-NQBHXWOUSA-N 2 0 260.372 2.917 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C1CCCC1 ZINC000925716408 648294953 /nfs/dbraw/zinc/29/49/53/648294953.db2.gz QCYZIXBULGALOA-RRFJBIMHSA-N 2 0 268.445 2.687 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C1CCCC1 ZINC000925716407 648295153 /nfs/dbraw/zinc/29/51/53/648295153.db2.gz QCYZIXBULGALOA-RBSFLKMASA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)CC(F)(F)F ZINC000925717921 648296249 /nfs/dbraw/zinc/29/62/49/648296249.db2.gz VKQWJWGSCRCZCR-SECBINFHSA-N 2 0 252.324 2.695 20 0 CFADRP CCC[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OCC ZINC000925722421 648297637 /nfs/dbraw/zinc/29/76/37/648297637.db2.gz IHWMSOAHWCHILK-LJISPDSOSA-N 2 0 268.445 2.558 20 0 CFADRP CC1(C)[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925721793 648298014 /nfs/dbraw/zinc/29/80/14/648298014.db2.gz QSELRLQAIJLERL-USZNOCQGSA-N 2 0 291.266 2.937 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CC1(C)C ZINC000925734300 648302464 /nfs/dbraw/zinc/30/24/64/648302464.db2.gz QECMRQGZRPBDIP-BZNIZROVSA-N 2 0 261.413 2.936 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000925734577 648302974 /nfs/dbraw/zinc/30/29/74/648302974.db2.gz AVTSIPIEICCNAR-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000925734579 648303000 /nfs/dbraw/zinc/30/30/00/648303000.db2.gz AVTSIPIEICCNAR-YNEHKIRRSA-N 2 0 260.372 2.932 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925735554 648303566 /nfs/dbraw/zinc/30/35/66/648303566.db2.gz WAOLRHZIWXTVJD-QNWHQSFQSA-N 2 0 276.346 2.695 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC(C)(C)[NH3+])CCS2 ZINC000925739116 648304642 /nfs/dbraw/zinc/30/46/42/648304642.db2.gz STDYJUYGGNNVMS-ZDUSSCGKSA-N 2 0 280.437 2.949 20 0 CFADRP CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc2c(c1)OCCO2 ZINC000925741322 648305203 /nfs/dbraw/zinc/30/52/03/648305203.db2.gz QLARDDOVZXPSIM-ZDUSSCGKSA-N 2 0 278.396 2.626 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC(C)(C)[NH3+])C1(C)C ZINC000925742651 648306760 /nfs/dbraw/zinc/30/67/60/648306760.db2.gz WFPMDYRTXUDLLA-QWHCGFSZSA-N 2 0 256.434 2.543 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000925757466 648310589 /nfs/dbraw/zinc/31/05/89/648310589.db2.gz HFNJQIYZOPQWAF-CQSZACIVSA-N 2 0 299.422 2.532 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000925770611 648314570 /nfs/dbraw/zinc/31/45/70/648314570.db2.gz JJGNDJQGYHMGQL-WBVHZDCISA-N 2 0 286.423 2.732 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925772876 648315629 /nfs/dbraw/zinc/31/56/29/648315629.db2.gz KPZKQJFMWVCHAC-JSLGZRHDSA-N 2 0 250.430 2.774 20 0 CFADRP [NH3+][C@@H]1C[C@H](NCc2cscc2Cl)C12CCC2 ZINC000925772394 648316157 /nfs/dbraw/zinc/31/61/57/648316157.db2.gz SNHKOHAIQPYNAB-MNOVXSKESA-N 2 0 256.802 2.761 20 0 CFADRP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925772879 648316550 /nfs/dbraw/zinc/31/65/50/648316550.db2.gz KPZKQJFMWVCHAC-SPJHXALWSA-N 2 0 250.430 2.774 20 0 CFADRP C([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC2(CCC2)CO1 ZINC000925775064 648317320 /nfs/dbraw/zinc/31/73/20/648317320.db2.gz ZPCIVBNCHUHVCP-YESZJQIVSA-N 2 0 292.467 2.704 20 0 CFADRP CC1(C)CO[C@H](CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925776348 648318635 /nfs/dbraw/zinc/31/86/35/648318635.db2.gz XDEUNAZQYYSREZ-IKGGRYGDSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777178 648319123 /nfs/dbraw/zinc/31/91/23/648319123.db2.gz OPWHYTSXGAINMP-GRYCIOLGSA-N 2 0 260.372 2.646 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccnn1-c1ccccc1 ZINC000925804809 648329250 /nfs/dbraw/zinc/32/92/50/648329250.db2.gz MSFUFVQKPVAPGM-QAPCUYQASA-N 2 0 298.434 2.522 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc21 ZINC000925808178 648329768 /nfs/dbraw/zinc/32/97/68/648329768.db2.gz ALBZXROWYRZUPF-KDOFPFPSSA-N 2 0 287.451 2.638 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc2ccccc21 ZINC000925806761 648329901 /nfs/dbraw/zinc/32/99/01/648329901.db2.gz AJSKQCBGQVFOJH-OAHLLOKOSA-N 2 0 297.446 2.914 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925807069 648330041 /nfs/dbraw/zinc/33/00/41/648330041.db2.gz IHNQLMLEROQPJC-OAHLLOKOSA-N 2 0 290.455 2.557 20 0 CFADRP C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)CCC1CC[NH2+]CC1 ZINC000925810142 648330628 /nfs/dbraw/zinc/33/06/28/648330628.db2.gz XEVYLXSEAWZDKC-MSOLQXFVSA-N 3 0 293.499 2.763 20 0 CFADRP c1cn2c(n1)CC[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)C2 ZINC000925812140 648331245 /nfs/dbraw/zinc/33/12/45/648331245.db2.gz HOGGHULNTPSGDR-PBHICJAKSA-N 2 0 282.391 2.724 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815112 648331930 /nfs/dbraw/zinc/33/19/30/648331930.db2.gz OELVJQLHPJDJPP-RDJZCZTQSA-N 2 0 281.488 2.604 20 0 CFADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000925816946 648332723 /nfs/dbraw/zinc/33/27/23/648332723.db2.gz MCOKSHDIDLFVPD-MRXNPFEDSA-N 2 0 279.472 2.502 20 0 CFADRP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000925817982 648333122 /nfs/dbraw/zinc/33/31/22/648333122.db2.gz YPOYJUYZYURUDI-MRXNPFEDSA-N 2 0 279.472 2.502 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000925819935 648333495 /nfs/dbraw/zinc/33/34/95/648333495.db2.gz BBFCTJOAILQYPG-FUDRRUEFSA-N 3 0 291.483 2.656 20 0 CFADRP C[C@H](COCC1CCCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000925826079 648335133 /nfs/dbraw/zinc/33/51/33/648335133.db2.gz JMKROWCDVFTUEF-ZBFHGGJFSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925833249 648337116 /nfs/dbraw/zinc/33/71/16/648337116.db2.gz ZNDHRNTUMUMEPY-WOPDTQHZSA-N 2 0 282.350 2.594 20 0 CFADRP c1ccc2ncc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000925833028 648337400 /nfs/dbraw/zinc/33/74/00/648337400.db2.gz QAPMCCASHVQGFR-OKZBNKHCSA-N 2 0 295.430 2.755 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000925832364 648337423 /nfs/dbraw/zinc/33/74/23/648337423.db2.gz OVOHMSILWSSTFC-LNFKQOIKSA-N 2 0 264.335 2.680 20 0 CFADRP Cc1c(Br)cccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000925834699 648338535 /nfs/dbraw/zinc/33/85/35/648338535.db2.gz OFSLNFKTCHCDLN-UHFFFAOYSA-N 2 0 297.240 2.642 20 0 CFADRP c1ccc([C@H]2C[C@@H](NC[C@]34CCC[C@H]3[NH2+]CC4)CC[NH2+]2)cc1 ZINC000925837270 648339237 /nfs/dbraw/zinc/33/92/37/648339237.db2.gz DKHTXTRUZIDPRX-WJFTUGDTSA-N 2 0 299.462 2.602 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C1 ZINC000925844186 648342523 /nfs/dbraw/zinc/34/25/23/648342523.db2.gz IVTCGCHILCDEFT-IRXDYDNUSA-N 2 0 281.488 2.620 20 0 CFADRP CCC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCC1 ZINC000925846721 648342937 /nfs/dbraw/zinc/34/29/37/648342937.db2.gz OYUIYAUTJWRHCD-KRWDZBQOSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861679 648347985 /nfs/dbraw/zinc/34/79/85/648347985.db2.gz RUFOVVOQAKYLQP-IHRRRGAJSA-N 2 0 268.470 2.925 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000925860880 648348263 /nfs/dbraw/zinc/34/82/63/648348263.db2.gz LILXBKVNHSETRW-VUGNNNGISA-N 3 0 293.499 2.889 20 0 CFADRP Cc1cc(F)c(CN[C@H]2CC[NH2+]CC[C@@H]2C)c(F)c1 ZINC000925873996 648351504 /nfs/dbraw/zinc/35/15/04/648351504.db2.gz FSKNXFNZFYJZHX-NHYWBVRUSA-N 2 0 268.351 2.751 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925879647 648353683 /nfs/dbraw/zinc/35/36/83/648353683.db2.gz BFEUSJRVAVLSJG-SQNIBIBYSA-N 2 0 288.435 2.940 20 0 CFADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879456 648353879 /nfs/dbraw/zinc/35/38/79/648353879.db2.gz FBOWBRXVTLPLCM-UHIISALHSA-N 2 0 278.371 2.539 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925879594 648353897 /nfs/dbraw/zinc/35/38/97/648353897.db2.gz AENUCQLZEYERQJ-PBHICJAKSA-N 2 0 276.424 2.798 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925881606 648354579 /nfs/dbraw/zinc/35/45/79/648354579.db2.gz JSRCGSHGXBIHTA-XLAORIBOSA-N 2 0 288.435 2.593 20 0 CFADRP C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925888989 648357167 /nfs/dbraw/zinc/35/71/67/648357167.db2.gz YGOYNFCJLCPFDT-QMCVQRASSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cncc(F)c1 ZINC000925888481 648357276 /nfs/dbraw/zinc/35/72/76/648357276.db2.gz UMMVFENPLPDDNK-DOPJRALCSA-N 2 0 299.393 2.930 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926113272 648407326 /nfs/dbraw/zinc/40/73/26/648407326.db2.gz DHEZNEOXZCAXKY-CVEARBPZSA-N 2 0 282.472 2.639 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000926113084 648407684 /nfs/dbraw/zinc/40/76/84/648407684.db2.gz BXBSWKUUXUUZSE-HZPDHXFCSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccns1 ZINC000926116153 648408418 /nfs/dbraw/zinc/40/84/18/648408418.db2.gz YLSDWLYSFUDHKH-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926142252 648415333 /nfs/dbraw/zinc/41/53/33/648415333.db2.gz OLHMTSXFBNHSCL-GJZGRUSLSA-N 2 0 276.424 2.825 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CCCC1 ZINC000926166157 648421449 /nfs/dbraw/zinc/42/14/49/648421449.db2.gz HPHAZCUQTQEWOF-SJORKVTESA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc[nH]c(=O)c1 ZINC000926168656 648422587 /nfs/dbraw/zinc/42/25/87/648422587.db2.gz VXFNMNNTZIHWLC-CYBMUJFWSA-N 2 0 277.412 2.560 20 0 CFADRP C[C@H]([NH2+]CC1(CO)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926200957 648432264 /nfs/dbraw/zinc/43/22/64/648432264.db2.gz LMGJDHNSTBGFCX-HNNXBMFYSA-N 2 0 290.451 2.952 20 0 CFADRP C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926203315 648433310 /nfs/dbraw/zinc/43/33/10/648433310.db2.gz WQGGNPCGLKDWIO-DETOXJSWSA-N 2 0 276.424 2.726 20 0 CFADRP CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926224751 648439869 /nfs/dbraw/zinc/43/98/69/648439869.db2.gz QBZBRBBHGHXKRO-KBPBESRZSA-N 2 0 264.413 2.824 20 0 CFADRP C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926238358 648445546 /nfs/dbraw/zinc/44/55/46/648445546.db2.gz NUGCFLCYWVYACZ-OAHLLOKOSA-N 2 0 289.467 2.883 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000926245448 648447132 /nfs/dbraw/zinc/44/71/32/648447132.db2.gz VTAOJJNQQQCYJX-SQJLCCANSA-N 2 0 290.382 2.579 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926275834 648453221 /nfs/dbraw/zinc/45/32/21/648453221.db2.gz RAOHXWAQYKEPEN-OAHLLOKOSA-N 2 0 275.440 2.724 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926287081 648455111 /nfs/dbraw/zinc/45/51/11/648455111.db2.gz MFIAQUFOLDGOHM-JKIFEVAISA-N 2 0 276.424 2.824 20 0 CFADRP C([NH2+][C@H](C1CC1)[C@H]1CCCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311276 648459761 /nfs/dbraw/zinc/45/97/61/648459761.db2.gz XXHKMXQYRNTRIY-FUHWJXTLSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]([NH2+]CCCCCO)c1cccc(C[NH+](C)C)c1 ZINC000926328581 648463687 /nfs/dbraw/zinc/46/36/87/648463687.db2.gz RDZZMGTXVYGEMO-CQSZACIVSA-N 2 0 264.413 2.561 20 0 CFADRP C1CC1[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H]1CCCOC1 ZINC000926335661 648465812 /nfs/dbraw/zinc/46/58/12/648465812.db2.gz BGUXJHAGHKEEOE-CPFNUKBASA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000926409399 648479367 /nfs/dbraw/zinc/47/93/67/648479367.db2.gz XBZOPJMHRMYQPK-DZGCQCFKSA-N 2 0 270.486 2.838 20 0 CFADRP CSC1(C[NH2+][C@@H](C)c2ccns2)CC[NH+](C)CC1 ZINC000926448209 648490912 /nfs/dbraw/zinc/49/09/12/648490912.db2.gz LFFVRYGYPIBMBC-NSHDSACASA-N 2 0 285.482 2.621 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000926487796 648505724 /nfs/dbraw/zinc/50/57/24/648505724.db2.gz PWRXFLZBVRSEBY-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP CCC[C@@H](C[NH2+]C1CC[NH+](CCC(C)C)CC1)OC ZINC000926503764 648512288 /nfs/dbraw/zinc/51/22/88/648512288.db2.gz XYXLGUBKPULDRK-INIZCTEOSA-N 2 0 270.461 2.902 20 0 CFADRP CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926528228 648519245 /nfs/dbraw/zinc/51/92/45/648519245.db2.gz OTSKLCJGYCNVLO-KBRIMQKVSA-N 2 0 276.424 2.966 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C1CC1 ZINC000926560630 648534139 /nfs/dbraw/zinc/53/41/39/648534139.db2.gz UCXZQDLLKGNEDU-WBVHZDCISA-N 2 0 280.456 2.656 20 0 CFADRP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926574260 648539399 /nfs/dbraw/zinc/53/93/99/648539399.db2.gz ULQMDAGMVNWWKO-BXUZGUMPSA-N 2 0 265.401 2.674 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000926573498 648539422 /nfs/dbraw/zinc/53/94/22/648539422.db2.gz MIGUXOAPSSFRQD-QGZVFWFLSA-N 3 0 295.515 2.818 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cnccc1C(C)(C)C ZINC000926581203 648541323 /nfs/dbraw/zinc/54/13/23/648541323.db2.gz JJNCOBRMZKJMTK-VMZNBEPHSA-N 2 0 287.451 2.809 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(C[NH+](C)C)c1 ZINC000926596169 648546639 /nfs/dbraw/zinc/54/66/39/648546639.db2.gz NQAQNTMRTBEZCN-ZVZYQTTQSA-N 2 0 290.451 2.950 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000926645510 648560710 /nfs/dbraw/zinc/56/07/10/648560710.db2.gz QCPVURHQCKBLAC-SJORKVTESA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc(C[NH+](C)C)c1 ZINC000926660266 648565018 /nfs/dbraw/zinc/56/50/18/648565018.db2.gz YNDRIODJVOXOJY-OAHLLOKOSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(C[NH+](C)C)c1 ZINC000926678929 648572789 /nfs/dbraw/zinc/57/27/89/648572789.db2.gz WLNIQLHCCFABDV-CZUORRHYSA-N 2 0 276.424 2.966 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000926729206 648594274 /nfs/dbraw/zinc/59/42/74/648594274.db2.gz VNXUPVKFBQRRBR-HNNXBMFYSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000926733621 648595223 /nfs/dbraw/zinc/59/52/23/648595223.db2.gz WDGFRXAMNMVCDJ-ROUUACIJSA-N 2 0 294.483 2.759 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000926749178 648600505 /nfs/dbraw/zinc/60/05/05/648600505.db2.gz XMGUAIZUOLAVLW-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1(Br)CC1 ZINC000926754715 648603097 /nfs/dbraw/zinc/60/30/97/648603097.db2.gz VOQWJYPTUIDRAF-NEPJUHHUSA-N 2 0 289.261 2.624 20 0 CFADRP CCC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926779352 648612364 /nfs/dbraw/zinc/61/23/64/648612364.db2.gz WMXYIDBALYLHFR-YOEHRIQHSA-N 2 0 278.440 2.950 20 0 CFADRP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000926792203 648617783 /nfs/dbraw/zinc/61/77/83/648617783.db2.gz IZSSJRXSXVSDGQ-SHTZXODSSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)[C@H]1COCC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926798454 648621056 /nfs/dbraw/zinc/62/10/56/648621056.db2.gz UBCLRLGHESUAOI-JCCCHCCOSA-N 2 0 282.472 2.900 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC000926938903 648664625 /nfs/dbraw/zinc/66/46/25/648664625.db2.gz PPBPQXIYOJSNNT-JZXOWHBKSA-N 2 0 292.467 2.678 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000926947968 648667989 /nfs/dbraw/zinc/66/79/89/648667989.db2.gz GVCKDTDVYIALPV-KXNHARMFSA-N 2 0 264.335 2.505 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000927013219 648682502 /nfs/dbraw/zinc/68/25/02/648682502.db2.gz CTQWYWCHTWIUCU-HNNXBMFYSA-N 2 0 266.429 2.552 20 0 CFADRP CCC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000927018421 648685342 /nfs/dbraw/zinc/68/53/42/648685342.db2.gz OIIFQDJJQPSMSA-YOEHRIQHSA-N 2 0 278.440 2.950 20 0 CFADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037855 648689558 /nfs/dbraw/zinc/68/95/58/648689558.db2.gz LEXKQLFFLXGUJR-JUVOFCAFSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038713 648690371 /nfs/dbraw/zinc/69/03/71/648690371.db2.gz PULOCDKMGVKETQ-FHERZECASA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927038942 648690468 /nfs/dbraw/zinc/69/04/68/648690468.db2.gz SJMBWXLHFNRKLT-LXTOLFJKSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH2+]C[C@H](O)c1cccc(-c2ccc(C[NH+](C)C)s2)c1 ZINC000928996216 648972263 /nfs/dbraw/zinc/97/22/63/648972263.db2.gz OSIPKFSELSCMSU-HNNXBMFYSA-N 2 0 290.432 2.730 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C/C=C\C(=O)OCC)CC1 ZINC000929297238 649027286 /nfs/dbraw/zinc/02/72/86/649027286.db2.gz PLUZHLIXTXFKPW-FPLPWBNLSA-N 2 0 296.455 2.550 20 0 CFADRP COC/C(C)=C\CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929687555 649097174 /nfs/dbraw/zinc/09/71/74/649097174.db2.gz NAOJGSBMWSCBFF-NXADEVLQSA-N 2 0 266.429 2.529 20 0 CFADRP C[N@H+](CCCc1cccnc1)CC[C@H]1CCCC[NH+]1C ZINC000929721757 649106447 /nfs/dbraw/zinc/10/64/47/649106447.db2.gz FVPDYOWTKJCEFC-QGZVFWFLSA-N 2 0 275.440 2.820 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCC(C)(F)F)C1 ZINC000929772383 649117363 /nfs/dbraw/zinc/11/73/63/649117363.db2.gz YOICLRISKVTNCT-CQSZACIVSA-N 2 0 292.414 2.855 20 0 CFADRP CC[C@@H]1C[C@H]1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000930309789 649227775 /nfs/dbraw/zinc/22/77/75/649227775.db2.gz MQGDPPVSMISNDS-CABCVRRESA-N 2 0 250.430 2.840 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)C1 ZINC000930577098 649278969 /nfs/dbraw/zinc/27/89/69/649278969.db2.gz IRVSCMBZGHWSHF-LXTVHRRPSA-N 2 0 284.394 2.695 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)C2 ZINC000930602682 649284636 /nfs/dbraw/zinc/28/46/36/649284636.db2.gz XBBYRMLZWZGWIW-LXTVHRRPSA-N 2 0 284.394 2.695 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC/C=C/c3ccccc3)C[C@@H]2C1 ZINC000931441421 649427522 /nfs/dbraw/zinc/42/75/22/649427522.db2.gz HWYUVXIYXJHAKS-LUUOPXGJSA-N 2 0 270.420 2.973 20 0 CFADRP COC[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(C)C ZINC000931465144 649434881 /nfs/dbraw/zinc/43/48/81/649434881.db2.gz PBICGHHUMHQCEA-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)CC1(O)CC[NH+](C[C@@H]2CCCCC2(C)C)CC1 ZINC000931480046 649438626 /nfs/dbraw/zinc/43/86/26/649438626.db2.gz KMTHGCRWEPMHDQ-HNNXBMFYSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481604 649438813 /nfs/dbraw/zinc/43/88/13/649438813.db2.gz UXNBCLRSLVZTCQ-ZDUSSCGKSA-N 2 0 296.842 2.790 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CCCc2cccnc2)CC1 ZINC000931699582 649474158 /nfs/dbraw/zinc/47/41/58/649474158.db2.gz FLMRCSYHBNEFKB-UHFFFAOYSA-N 2 0 273.424 2.574 20 0 CFADRP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCOC1CCCCC1 ZINC000931719022 649477849 /nfs/dbraw/zinc/47/78/49/649477849.db2.gz GRGDJFHRLQSZPX-LSDHHAIUSA-N 2 0 266.429 2.504 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000932491546 649609527 /nfs/dbraw/zinc/60/95/27/649609527.db2.gz KNGYJPUGRMCLCV-CRAIPNDOSA-N 2 0 288.435 2.797 20 0 CFADRP C[NH+](C)Cc1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1F ZINC000934133101 649754504 /nfs/dbraw/zinc/75/45/04/649754504.db2.gz JQWMCMKZOWKGAE-UHFFFAOYSA-N 2 0 295.402 2.604 20 0 CFADRP Nc1ncccc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001243477090 782225719 /nfs/dbraw/zinc/22/57/19/782225719.db2.gz INEPOEVQEDVHMP-UHFFFAOYSA-N 2 0 296.418 2.502 20 0 CFADRP C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000693545635 770814077 /nfs/dbraw/zinc/81/40/77/770814077.db2.gz KNROOQXVEMCGKV-BJHJDKERSA-N 2 0 283.213 2.618 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235788270 778558650 /nfs/dbraw/zinc/55/86/50/778558650.db2.gz JRVWNZWZDLGBRO-INIZCTEOSA-N 2 0 295.858 2.805 20 0 CFADRP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001208166321 769888760 /nfs/dbraw/zinc/88/87/60/769888760.db2.gz AQSOIKGIUPIGSB-TWMKSMIVSA-N 2 0 262.441 2.862 20 0 CFADRP COc1cc(C)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206768145 769873314 /nfs/dbraw/zinc/87/33/14/769873314.db2.gz HRULWQHKIJMQGY-KBPBESRZSA-N 2 0 262.397 2.563 20 0 CFADRP CS[C@H](C)CC[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001208151266 769876887 /nfs/dbraw/zinc/87/68/87/769876887.db2.gz UCQWDOSKDQDTFG-CQSZACIVSA-N 2 0 279.453 2.654 20 0 CFADRP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001208166322 769888968 /nfs/dbraw/zinc/88/89/68/769888968.db2.gz AQSOIKGIUPIGSB-VQHPVUNQSA-N 2 0 262.441 2.862 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000692958400 769908614 /nfs/dbraw/zinc/90/86/14/769908614.db2.gz HLQVUOXXMDVIGY-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001208603336 769910513 /nfs/dbraw/zinc/91/05/13/769910513.db2.gz BLUGGBBKIXTZQQ-GOSISDBHSA-N 2 0 293.499 2.526 20 0 CFADRP Cc1cc(OC(C)C)ncc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812565 770026558 /nfs/dbraw/zinc/02/65/58/770026558.db2.gz ZPHHBVVKCXGLQH-LSDHHAIUSA-N 2 0 291.439 2.736 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000721418810 770138228 /nfs/dbraw/zinc/13/82/28/770138228.db2.gz YCJOPPPFUOHULO-STQMWFEESA-N 2 0 294.361 2.559 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000723623036 770623551 /nfs/dbraw/zinc/62/35/51/770623551.db2.gz YPWJPBXXLQNVQG-YESZJQIVSA-N 2 0 280.456 2.657 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000723632299 770628136 /nfs/dbraw/zinc/62/81/36/770628136.db2.gz BEQSXYPTVNNMDH-LVQVYYBASA-N 2 0 250.430 2.935 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1Br ZINC000723675216 770648342 /nfs/dbraw/zinc/64/83/42/770648342.db2.gz SGHAUVCNJHINPK-LBPRGKRZSA-N 2 0 297.240 2.928 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000723674876 770648440 /nfs/dbraw/zinc/64/84/40/770648440.db2.gz FIYXMCCPWSXERB-JTQLQIEISA-N 2 0 256.752 2.650 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000723687783 770650951 /nfs/dbraw/zinc/65/09/51/770650951.db2.gz YALGWYFWWZFMEY-CYBMUJFWSA-N 2 0 271.364 2.512 20 0 CFADRP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000723691108 770651211 /nfs/dbraw/zinc/65/12/11/770651211.db2.gz HRWHQOKRKYYOKA-QWRGUYRKSA-N 2 0 254.324 2.697 20 0 CFADRP CS[C@@H]1CC[C@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000707351555 770662906 /nfs/dbraw/zinc/66/29/06/770662906.db2.gz KBIUQWACCBCJRI-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)C1CC[NH+](C)CC1 ZINC000724419357 770870535 /nfs/dbraw/zinc/87/05/35/770870535.db2.gz ODQAHQVKXONSCI-LBPRGKRZSA-N 2 0 279.428 2.792 20 0 CFADRP CC(C)(C)c1csc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000690739618 770904691 /nfs/dbraw/zinc/90/46/91/770904691.db2.gz KMSQLJYKMLLZGO-LLVKDONJSA-N 2 0 267.442 2.611 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000690740714 770938669 /nfs/dbraw/zinc/93/86/69/770938669.db2.gz ODQSEORZYXFJOF-SNVBAGLBSA-N 2 0 256.752 2.650 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000693665820 773209187 /nfs/dbraw/zinc/20/91/87/773209187.db2.gz VEAQYOLINCRVKW-HZSPNIEDSA-N 2 0 264.438 2.923 20 0 CFADRP C[NH+](C)CC[C@@H](O[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001224131668 775108072 /nfs/dbraw/zinc/10/80/72/775108072.db2.gz SEZIQZNOBLEJAL-DLBZAZTESA-N 2 0 276.424 2.790 20 0 CFADRP C[C@@H](C[NH+](C)C)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224825895 775283019 /nfs/dbraw/zinc/28/30/19/775283019.db2.gz MWPVUSJRMDOQHI-WMZOPIPTSA-N 2 0 290.451 2.865 20 0 CFADRP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCC[NH+]1CCCCC1 ZINC001224859106 775292317 /nfs/dbraw/zinc/29/23/17/775292317.db2.gz GMRNCOGFZBMJEZ-FVQHAEBGSA-N 2 0 280.456 2.609 20 0 CFADRP CCOC(=N)CCCCO[C@@H]1CCC[N@H+](C)CC1 ZINC001224963209 775319692 /nfs/dbraw/zinc/31/96/92/775319692.db2.gz JIGLTYMTKGNNAZ-CYBMUJFWSA-N 2 0 256.390 2.671 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](Oc2ccc(C[NH+](C)C)cc2)C1 ZINC001225333844 775415823 /nfs/dbraw/zinc/41/58/23/775415823.db2.gz QLKCMZZNAOLHIW-MRXNPFEDSA-N 2 0 262.397 2.610 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000721627320 775456811 /nfs/dbraw/zinc/45/68/11/775456811.db2.gz IUDJEYOJEUZZIM-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cc(F)ccc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001140781901 775472780 /nfs/dbraw/zinc/47/27/80/775472780.db2.gz TZAMVPCWBTWHHU-UHFFFAOYSA-N 2 0 262.372 2.662 20 0 CFADRP [NH3+]Cc1nn(-c2ccc(C3([NH3+])CCC3)cc2)c2ccccc12 ZINC001167698377 775528096 /nfs/dbraw/zinc/52/80/96/775528096.db2.gz UECAMLAOGGZICZ-UHFFFAOYSA-N 2 0 292.386 2.822 20 0 CFADRP Cc1ccccc1O[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC001207438022 775663976 /nfs/dbraw/zinc/66/39/76/775663976.db2.gz RNFTXXRCMLLKKF-KRWDZBQOSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)Cc1cccs1 ZINC000925519127 775842440 /nfs/dbraw/zinc/84/24/40/775842440.db2.gz SEDPYHOVOQQZQM-QXTAMJNMSA-N 2 0 276.449 2.513 20 0 CFADRP C[NH+]1CCC(CC[N@@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC001207479432 775927897 /nfs/dbraw/zinc/92/78/97/775927897.db2.gz ISXHSMSPFNJEHG-GOSISDBHSA-N 2 0 288.435 2.792 20 0 CFADRP C([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC2(CC2)CC1 ZINC000695715628 775959208 /nfs/dbraw/zinc/95/92/08/775959208.db2.gz FTNAXTMFCKYFQC-ZVDSWSACSA-N 2 0 260.425 2.543 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC2(CC2)CC1 ZINC000695745029 775971897 /nfs/dbraw/zinc/97/18/97/775971897.db2.gz QHRSBLKYUDWQSK-ARFHVFGLSA-N 2 0 262.441 2.935 20 0 CFADRP C([C@@H]1CCCCO1)[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154850 776025069 /nfs/dbraw/zinc/02/50/69/776025069.db2.gz RRGHAUYGRGZVOV-IRXDYDNUSA-N 2 0 280.456 2.801 20 0 CFADRP FC(F)(F)[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCS1 ZINC000721393373 776522274 /nfs/dbraw/zinc/52/22/74/776522274.db2.gz UBCKMHRWBBWHOO-LBPRGKRZSA-N 2 0 296.402 2.746 20 0 CFADRP [NH3+]CCC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000399368401 776529098 /nfs/dbraw/zinc/52/90/98/776529098.db2.gz REHQSNNYFRWOSD-LLVKDONJSA-N 2 0 265.228 2.631 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC001167826520 776547477 /nfs/dbraw/zinc/54/74/77/776547477.db2.gz PMSCBWWYNVCGSS-MRXNPFEDSA-N 3 0 283.504 2.771 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@H+](CCCO)C(C)C ZINC001167826531 776547517 /nfs/dbraw/zinc/54/75/17/776547517.db2.gz PSAHPGCAEQTSJY-HNNXBMFYSA-N 2 0 258.450 2.590 20 0 CFADRP CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167826130 776547732 /nfs/dbraw/zinc/54/77/32/776547732.db2.gz MSTIDYQQIWJWEK-HOTGVXAUSA-N 2 0 298.471 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001167833604 776570377 /nfs/dbraw/zinc/57/03/77/776570377.db2.gz CXBQSHKSVLEOHH-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CC(=O)OC)C1CCCC1 ZINC001167836775 776587593 /nfs/dbraw/zinc/58/75/93/776587593.db2.gz GZKIABXAVDUSDO-OAHLLOKOSA-N 2 0 298.471 2.915 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001167837503 776589104 /nfs/dbraw/zinc/58/91/04/776589104.db2.gz LSFFNDSWNKRKHM-AJNGGQMLSA-N 2 0 256.409 2.929 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001167838020 776589237 /nfs/dbraw/zinc/58/92/37/776589237.db2.gz OXYIKXQYGAGUGH-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001167838051 776589293 /nfs/dbraw/zinc/58/92/93/776589293.db2.gz PDCBTHHHJMMXAW-GOEBONIOSA-N 2 0 268.445 2.940 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC001167839476 776591083 /nfs/dbraw/zinc/59/10/83/776591083.db2.gz YAXCXGNHPJJGQN-CVEARBPZSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001167839448 776591233 /nfs/dbraw/zinc/59/12/33/776591233.db2.gz XTEHUKGFGIOSKD-KKUMJFAQSA-N 2 0 256.434 2.606 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@H+](CCC(=O)OC)C1CC1 ZINC001167841765 776607215 /nfs/dbraw/zinc/60/72/15/776607215.db2.gz QJIXTCZWVDPSGV-CQSZACIVSA-N 2 0 284.444 2.524 20 0 CFADRP N=C(Nc1ccc2c(c1)[nH]c1cc[nH+]cc12)SCC[NH3+] ZINC001167911564 776832188 /nfs/dbraw/zinc/83/21/88/776832188.db2.gz AFPDWRIWUDVWHV-UHFFFAOYSA-N 2 0 285.376 2.755 20 0 CFADRP C([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001167910360 776833063 /nfs/dbraw/zinc/83/30/63/776833063.db2.gz SNGBVHQZFWUUOD-BCDXTJNWSA-N 2 0 292.467 2.513 20 0 CFADRP CC1(C)CCc2cc(NC(=[NH2+])SCC[NH3+])ccc2O1 ZINC001167911723 776833831 /nfs/dbraw/zinc/83/38/31/776833831.db2.gz FQIQIANWCRUBPF-UHFFFAOYSA-N 2 0 279.409 2.829 20 0 CFADRP CC[NH+]1CCC(Oc2ccc(CC[NH+](C)C)cc2)CC1 ZINC001229658490 776866963 /nfs/dbraw/zinc/86/69/63/776866963.db2.gz VMMHCKYMWZAJOV-UHFFFAOYSA-N 2 0 276.424 2.654 20 0 CFADRP C[NH+](C)Cc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1 ZINC001225331409 776972025 /nfs/dbraw/zinc/97/20/25/776972025.db2.gz CNKCSRHNILPJIU-JCNLHEQBSA-N 2 0 276.424 3.000 20 0 CFADRP C[C@]1([NH3+])CCCN(CCCc2cccc(F)c2)C1 ZINC001204940408 776977967 /nfs/dbraw/zinc/97/79/67/776977967.db2.gz XFHFLFYVUAKAIS-HNNXBMFYSA-N 2 0 250.361 2.572 20 0 CFADRP CCCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965679 777406114 /nfs/dbraw/zinc/40/61/14/777406114.db2.gz KLMQHZCPSJHYLT-XYTVBORESA-N 2 0 280.456 2.533 20 0 CFADRP c1c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)[nH]c2cc[nH+]cc12 ZINC001232011508 777410600 /nfs/dbraw/zinc/41/06/00/777410600.db2.gz DXFGYJAZLYNBCP-MLGOLLRUSA-N 2 0 271.364 2.564 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC[C@@]1(C)O ZINC001232011679 777411267 /nfs/dbraw/zinc/41/12/67/777411267.db2.gz NYGNFPQWMDTIMD-BLLLJJGKSA-N 2 0 273.380 2.546 20 0 CFADRP FC1(F)C[C@]12CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232014870 777411966 /nfs/dbraw/zinc/41/19/66/777411966.db2.gz VWDRDBCQCZRJDC-ZDUSSCGKSA-N 2 0 263.291 2.794 20 0 CFADRP COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014076 777412010 /nfs/dbraw/zinc/41/20/10/777412010.db2.gz JHQGZLNUVBCUEP-HNNXBMFYSA-N 2 0 273.380 2.952 20 0 CFADRP CCO[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232013727 777412661 /nfs/dbraw/zinc/41/26/61/777412661.db2.gz DIBXRAGRTMHOBZ-AWEZNQCLSA-N 2 0 259.353 2.564 20 0 CFADRP CC(C)OC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014556 777412706 /nfs/dbraw/zinc/41/27/06/777412706.db2.gz QLJIYZAZJDNZMN-UHFFFAOYSA-N 2 0 273.380 2.952 20 0 CFADRP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC001232013747 777412800 /nfs/dbraw/zinc/41/28/00/777412800.db2.gz DQWNXUJXQWBWKM-ZDUSSCGKSA-N 2 0 278.359 2.947 20 0 CFADRP CC(C)[N@H+](Cc1cc2c[nH+]ccc2[nH]1)C1CCOCC1 ZINC001232018211 777414694 /nfs/dbraw/zinc/41/46/94/777414694.db2.gz GVKGBEPJMFCWFI-UHFFFAOYSA-N 2 0 273.380 2.952 20 0 CFADRP C[N@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc2c(c1)OCO2 ZINC001232015922 777414760 /nfs/dbraw/zinc/41/47/60/777414760.db2.gz OATQQMUVWKDHLD-UHFFFAOYSA-N 2 0 295.342 2.924 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1 ZINC001232144944 777449940 /nfs/dbraw/zinc/44/99/40/777449940.db2.gz PBWYCZMXJCPOPE-QAQDUYKDSA-N 2 0 294.414 2.623 20 0 CFADRP CO[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001232151458 777452428 /nfs/dbraw/zinc/45/24/28/777452428.db2.gz NWOXCUJOMKPFNJ-SUMWQHHRSA-N 2 0 294.414 2.887 20 0 CFADRP CO[C@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001232151455 777452927 /nfs/dbraw/zinc/45/29/27/777452927.db2.gz NWOXCUJOMKPFNJ-DYVFJYSZSA-N 2 0 294.414 2.887 20 0 CFADRP C[C@]1(O)CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167985584 777470075 /nfs/dbraw/zinc/47/00/75/777470075.db2.gz YNTUJIZWJCJESA-WFFDWFOESA-N 2 0 292.467 2.629 20 0 CFADRP FC1(F)C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21 ZINC001167987085 777481623 /nfs/dbraw/zinc/48/16/23/777481623.db2.gz JVZLCKYIAWZBNH-JDOFQRQTSA-N 2 0 296.405 2.979 20 0 CFADRP CCOc1ncc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC001232310033 777515943 /nfs/dbraw/zinc/51/59/43/777515943.db2.gz SDRFHTCIQIUUJO-UHFFFAOYSA-N 2 0 291.439 2.562 20 0 CFADRP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCC[C@@]3(CCO3)C1)C2 ZINC001167994668 777528256 /nfs/dbraw/zinc/52/82/56/777528256.db2.gz JSENCAWTDZEGCK-UJJTZGENSA-N 2 0 290.451 2.647 20 0 CFADRP Cc1c(F)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1F ZINC001232426803 777556541 /nfs/dbraw/zinc/55/65/41/777556541.db2.gz RASINLZSEQDSFN-UHFFFAOYSA-N 2 0 280.362 2.801 20 0 CFADRP CCN(CCC[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002053 777562403 /nfs/dbraw/zinc/56/24/03/777562403.db2.gz CMZHCQJUYOFMQM-JWTNVVGKSA-N 2 0 293.499 2.665 20 0 CFADRP C[C@H]1CC([NH2+]CC(C)(C)O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168004914 777573862 /nfs/dbraw/zinc/57/38/62/777573862.db2.gz BUABIPQOLWSEII-GJZGRUSLSA-N 2 0 290.451 2.789 20 0 CFADRP COCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005825 777577615 /nfs/dbraw/zinc/57/76/15/777577615.db2.gz KNMGGLHBTPLGNG-SCAQPMJSSA-N 2 0 276.424 2.664 20 0 CFADRP C[C@H](C[N@@H+]1CCO[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC001204757250 777590553 /nfs/dbraw/zinc/59/05/53/777590553.db2.gz XHVABLPJNICKAN-NVXWUHKLSA-N 2 0 298.430 2.993 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015204 777647425 /nfs/dbraw/zinc/64/74/25/777647425.db2.gz PNFOUHIWUDGKOG-ALXJQNPVSA-N 3 0 289.467 2.757 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3cccc4ncsc43)C2)CC1 ZINC001232737369 777652117 /nfs/dbraw/zinc/65/21/17/777652117.db2.gz ZDQRUTNZIWMYCC-UHFFFAOYSA-N 2 0 287.432 2.824 20 0 CFADRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3-n3cccc3)C[C@@H]2C1 ZINC001232913894 777719392 /nfs/dbraw/zinc/71/93/92/777719392.db2.gz YFHGKJSQGPMIPP-HDICACEKSA-N 2 0 295.430 2.861 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C2CC(OC(C)(C)C)C2)C1 ZINC000341615923 777730661 /nfs/dbraw/zinc/73/06/61/777730661.db2.gz BQJKRECKAJQKQM-NFOMZHRRSA-N 2 0 268.445 2.606 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc3ncoc3c2)CC1 ZINC001232940940 777730956 /nfs/dbraw/zinc/73/09/56/777730956.db2.gz IQSPCYDCJBIZAM-UHFFFAOYSA-N 2 0 273.380 2.601 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)CC(C)(C)CC[NH3+] ZINC001168090582 778015036 /nfs/dbraw/zinc/01/50/36/778015036.db2.gz FMSDOKDMZQIUGD-MJBXVCDLSA-N 2 0 256.434 2.545 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(CC3CCC3)CC2)CCO1 ZINC001168094475 778031385 /nfs/dbraw/zinc/03/13/85/778031385.db2.gz ULPGHCPJUQFKAG-ZFWWWQNUSA-N 2 0 266.429 2.537 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)CCO1 ZINC001168100995 778042576 /nfs/dbraw/zinc/04/25/76/778042576.db2.gz KJKKZTLRJGTJNV-ZBFHGGJFSA-N 2 0 274.408 2.504 20 0 CFADRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC001168104444 778048004 /nfs/dbraw/zinc/04/80/04/778048004.db2.gz UPVPDOHXAJOKNW-WCVJEAGWSA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234420226 778221675 /nfs/dbraw/zinc/22/16/75/778221675.db2.gz NXNVWRUCACRANO-CQSZACIVSA-N 2 0 276.424 2.784 20 0 CFADRP CC(C)(C)Oc1cc[nH+]c(NC2(C)CC[NH2+]CC2)c1 ZINC001168188989 778233245 /nfs/dbraw/zinc/23/32/45/778233245.db2.gz HECBACHLLOIARZ-UHFFFAOYSA-N 2 0 263.385 2.813 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[NH+]1CCCC1)C2 ZINC001168230208 778259834 /nfs/dbraw/zinc/25/98/34/778259834.db2.gz JVGHWTPUNCWBOU-KRWDZBQOSA-N 2 0 288.435 2.628 20 0 CFADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC001168230153 778259872 /nfs/dbraw/zinc/25/98/72/778259872.db2.gz IJWHJGHOAOJOBV-QGZVFWFLSA-N 2 0 288.435 2.625 20 0 CFADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC001168230152 778260359 /nfs/dbraw/zinc/26/03/59/778260359.db2.gz IJWHJGHOAOJOBV-KRWDZBQOSA-N 2 0 288.435 2.625 20 0 CFADRP c1ccc(Cc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC001234979505 778345641 /nfs/dbraw/zinc/34/56/41/778345641.db2.gz OKMQQWKKWQDMHM-BGYRXZFFSA-N 2 0 292.426 2.929 20 0 CFADRP CCCCc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001234978626 778345710 /nfs/dbraw/zinc/34/57/10/778345710.db2.gz IJWSBUVIEXJOKO-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP Cc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC001234992943 778347040 /nfs/dbraw/zinc/34/70/40/778347040.db2.gz NJLRSFRFBSUILC-INIZCTEOSA-N 2 0 262.372 2.710 20 0 CFADRP c1cc2c(cc1C[N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)CCCN2 ZINC001234997721 778349287 /nfs/dbraw/zinc/34/92/87/778349287.db2.gz FAHPPWBRXOODPD-GOSISDBHSA-N 2 0 285.435 2.620 20 0 CFADRP CCOc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234997755 778349528 /nfs/dbraw/zinc/34/95/28/778349528.db2.gz KYEKDTPVHUBRCR-SFHVURJKSA-N 2 0 288.435 2.969 20 0 CFADRP Cc1ccc(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c(C)c1 ZINC001235004675 778350188 /nfs/dbraw/zinc/35/01/88/778350188.db2.gz BQZPOXFPIPCDQD-GOSISDBHSA-N 2 0 288.435 2.505 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235031224 778361024 /nfs/dbraw/zinc/36/10/24/778361024.db2.gz DSDPBYZDENMMCR-SFHVURJKSA-N 2 0 288.435 2.968 20 0 CFADRP c1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]C4CC4)(C2)CCC3)c1 ZINC001277921782 778376383 /nfs/dbraw/zinc/37/63/83/778376383.db2.gz GNONZELGWCCQGY-JKSUJKDBSA-N 2 0 259.397 2.702 20 0 CFADRP FC(F)(F)CCC[NH+]1CC2(C1)CC[NH+](C1CC1)CC2 ZINC001277923302 778382712 /nfs/dbraw/zinc/38/27/12/778382712.db2.gz TYSKUSUXAJXBKS-UHFFFAOYSA-N 2 0 276.346 2.889 20 0 CFADRP Cc1cc(C)c(CN2CCC[C@]23CC[NH2+]C3)c(C)c1 ZINC001235112143 778383845 /nfs/dbraw/zinc/38/38/45/778383845.db2.gz WUIKZZGXEYIQGE-QGZVFWFLSA-N 2 0 258.409 2.940 20 0 CFADRP c1ccc(C2CC2)c(CN2CCC[C@]23CC[NH2+]C3)c1 ZINC001235111159 778384119 /nfs/dbraw/zinc/38/41/19/778384119.db2.gz OXXWCZRRDYIEHG-QGZVFWFLSA-N 2 0 256.393 2.892 20 0 CFADRP CCn1ccc2ccc(CN3CCC[C@]34CC[NH2+]C4)cc21 ZINC001235111612 778384345 /nfs/dbraw/zinc/38/43/45/778384345.db2.gz RSZOUWQDHLVSPL-GOSISDBHSA-N 2 0 283.419 2.989 20 0 CFADRP COc1cc(C)c(CN2CCC[C@]23CC[NH2+]C3)cc1C ZINC001235111750 778384547 /nfs/dbraw/zinc/38/45/47/778384547.db2.gz ULSWGCMTFXMUBG-QGZVFWFLSA-N 2 0 274.408 2.640 20 0 CFADRP COc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(C)c1 ZINC001235133159 778395764 /nfs/dbraw/zinc/39/57/64/778395764.db2.gz QXXQAOSBTNTYLO-UHFFFAOYSA-N 2 0 288.435 2.969 20 0 CFADRP CCc1ccccc1C[N@@H+]1CCCC12CC[NH2+]CC2 ZINC001235145269 778396332 /nfs/dbraw/zinc/39/63/32/778396332.db2.gz SIMCCMQLUSTUOZ-UHFFFAOYSA-N 2 0 258.409 2.967 20 0 CFADRP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235186278 778406068 /nfs/dbraw/zinc/40/60/68/778406068.db2.gz GQJPZQRLCYCDBD-AESZEHBQSA-N 2 0 290.838 2.985 20 0 CFADRP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235186284 778407282 /nfs/dbraw/zinc/40/72/82/778407282.db2.gz GQJPZQRLCYCDBD-WBTNSWJXSA-N 2 0 290.838 2.985 20 0 CFADRP Fc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C1CC1 ZINC001235198747 778411704 /nfs/dbraw/zinc/41/17/04/778411704.db2.gz UJCWXEYGBBETAD-HUUCEWRRSA-N 2 0 274.383 2.744 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccnc1 ZINC001168298345 778411896 /nfs/dbraw/zinc/41/18/96/778411896.db2.gz OAECDZCKYAUAMR-UYSNPLJNSA-N 2 0 261.413 2.995 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235199271 778412343 /nfs/dbraw/zinc/41/23/43/778412343.db2.gz WPJGQWVUGKRRRJ-NVXWUHKLSA-N 2 0 288.435 2.824 20 0 CFADRP COc1ccc(F)c(C[NH2+]C2CCC([NH+](C)C)CC2)c1F ZINC001168298298 778412326 /nfs/dbraw/zinc/41/23/26/778412326.db2.gz LHETZIVPFJTHND-UHFFFAOYSA-N 2 0 298.377 2.936 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC001168298231 778412618 /nfs/dbraw/zinc/41/26/18/778412618.db2.gz GLLFIODMOHPVNC-UYSNPLJNSA-N 2 0 296.842 2.836 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC001168297775 778413000 /nfs/dbraw/zinc/41/30/00/778413000.db2.gz KPZHBTLQAWQOTF-UHFFFAOYSA-N 2 0 267.804 2.697 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001168298230 778413025 /nfs/dbraw/zinc/41/30/25/778413025.db2.gz GLLFIODMOHPVNC-GPANFISMSA-N 2 0 296.842 2.836 20 0 CFADRP [NH3+][C@@H]1[C@H]2CN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@H]21 ZINC001235209621 778415419 /nfs/dbraw/zinc/41/54/19/778415419.db2.gz DVBCVROUGJMBKB-FOLVSLTJSA-N 2 0 288.778 2.989 20 0 CFADRP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168304987 778418585 /nfs/dbraw/zinc/41/85/85/778418585.db2.gz FGJBOAPYCFWPJS-UIDBIOKJSA-N 2 0 296.455 2.571 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C[C@H]2CCOC(C)(C)C2)CC1 ZINC001168305176 778419675 /nfs/dbraw/zinc/41/96/75/778419675.db2.gz KRIADANDHJCTOP-NFOMZHRRSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1ccccc1C1([NH2+]C2CCC([NH+](C)C)CC2)COC1 ZINC001168305092 778419639 /nfs/dbraw/zinc/41/96/39/778419639.db2.gz HJXWSCSDNRZCOC-UHFFFAOYSA-N 2 0 288.435 2.683 20 0 CFADRP c1cn2cccc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c2n1 ZINC001235228315 778421399 /nfs/dbraw/zinc/42/13/99/778421399.db2.gz LLTBRCKBYGSDNK-KRWDZBQOSA-N 2 0 298.434 2.688 20 0 CFADRP Cc1csc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235227967 778422145 /nfs/dbraw/zinc/42/21/45/778422145.db2.gz GTHWPOPJHCGWJO-CQSZACIVSA-N 2 0 279.453 2.806 20 0 CFADRP c1cc2cc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)cnc2[nH]1 ZINC001235228580 778422920 /nfs/dbraw/zinc/42/29/20/778422920.db2.gz JDZWKWLFXAJPTL-KRWDZBQOSA-N 2 0 298.434 2.917 20 0 CFADRP c1c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)nc2ccccn12 ZINC001235229938 778423178 /nfs/dbraw/zinc/42/31/78/778423178.db2.gz MUCHLYJBNURAOL-KRWDZBQOSA-N 2 0 298.434 2.688 20 0 CFADRP C[NH+]1CCC(C)(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233012 778424031 /nfs/dbraw/zinc/42/40/31/778424031.db2.gz LXTIJTUIKOOSTC-QGZVFWFLSA-N 3 0 293.499 2.572 20 0 CFADRP COC(C)(C)CC[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233544 778424270 /nfs/dbraw/zinc/42/42/70/778424270.db2.gz RORVWNDAGUIPKE-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP CCC(=O)C(C)(C)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233185 778424318 /nfs/dbraw/zinc/42/43/18/778424318.db2.gz OORRCRLYIAEMPP-HNNXBMFYSA-N 2 0 280.456 2.846 20 0 CFADRP Cc1ccnc(C2(C[NH2+]C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168312484 778424433 /nfs/dbraw/zinc/42/44/33/778424433.db2.gz ZBOWVJIFWMYKAO-UHFFFAOYSA-N 2 0 287.451 2.884 20 0 CFADRP FCc1cccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)n1 ZINC001235238726 778426297 /nfs/dbraw/zinc/42/62/97/778426297.db2.gz HIVACAQGMIAXMG-KRWDZBQOSA-N 2 0 291.414 2.905 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001168315778 778426416 /nfs/dbraw/zinc/42/64/16/778426416.db2.gz OMLZFRVDJUQUBY-GTPINHCMSA-N 3 0 281.488 2.700 20 0 CFADRP Cc1nc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1F ZINC001235236949 778426727 /nfs/dbraw/zinc/42/67/27/778426727.db2.gz IBWYASAZLRHVBA-KRWDZBQOSA-N 2 0 291.414 2.883 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001168315871 778426848 /nfs/dbraw/zinc/42/68/48/778426848.db2.gz PGVFJNPYAXGYPB-BPCQOVAHSA-N 2 0 278.362 2.928 20 0 CFADRP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC001168316079 778427819 /nfs/dbraw/zinc/42/78/19/778427819.db2.gz VMTAFLIZSHTUIG-OTBWCIGPSA-N 3 0 281.488 2.568 20 0 CFADRP Cc1ccc2nc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)ccc2c1 ZINC001235241017 778428013 /nfs/dbraw/zinc/42/80/13/778428013.db2.gz PHYVKCMKXOEPRA-CRAIPNDOSA-N 2 0 281.403 2.856 20 0 CFADRP Cc1cc(C)c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1C ZINC001235246498 778430148 /nfs/dbraw/zinc/43/01/48/778430148.db2.gz YCLCEZKLFXEXPY-IAGOWNOFSA-N 2 0 258.409 2.925 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001168324518 778431808 /nfs/dbraw/zinc/43/18/08/778431808.db2.gz QJMCWDKCLIUTCS-GTPINHCMSA-N 2 0 273.424 2.744 20 0 CFADRP CCCOC1CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324767 778432394 /nfs/dbraw/zinc/43/23/94/778432394.db2.gz WWAHOQFPHTYDHD-UHFFFAOYSA-N 2 0 268.445 2.750 20 0 CFADRP CCN(CC)CC[N@H+](CC)C1CCC([NH+](C)C)CC1 ZINC001168324044 778433408 /nfs/dbraw/zinc/43/34/08/778433408.db2.gz HHYUKVXZHREGJO-UHFFFAOYSA-N 2 0 269.477 2.523 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC001235255194 778434775 /nfs/dbraw/zinc/43/47/75/778434775.db2.gz CZMKLNVBPCUSLI-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1C ZINC001235270825 778440486 /nfs/dbraw/zinc/44/04/86/778440486.db2.gz NIMDZXRWUJFLKP-WBVHZDCISA-N 2 0 288.435 2.804 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1C ZINC001235270817 778440568 /nfs/dbraw/zinc/44/05/68/778440568.db2.gz NIMDZXRWUJFLKP-DOTOQJQBSA-N 2 0 288.435 2.804 20 0 CFADRP Fc1ccccc1OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353983 778447903 /nfs/dbraw/zinc/44/79/03/778447903.db2.gz XPZKTTOANIOWLZ-UHFFFAOYSA-N 2 0 292.398 2.669 20 0 CFADRP CCOc1ccc(C)cc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235335728 778459030 /nfs/dbraw/zinc/45/90/30/778459030.db2.gz PIICHYKYPFEWEE-UHFFFAOYSA-N 2 0 288.435 2.825 20 0 CFADRP CCCc1ccc(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235341195 778460300 /nfs/dbraw/zinc/46/03/00/778460300.db2.gz OZBZTLOWOFBFDV-MRXNPFEDSA-N 2 0 258.409 2.680 20 0 CFADRP C(CC1CCCCC1)C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235368765 778470989 /nfs/dbraw/zinc/47/09/89/778470989.db2.gz OAMPMNCHHNZCMS-RCCFBDPRSA-N 2 0 292.467 2.800 20 0 CFADRP Fc1cccc(CCC[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235399403 778475391 /nfs/dbraw/zinc/47/53/91/778475391.db2.gz AZXPEDKQBCXSPN-IRXDYDNUSA-N 2 0 294.389 2.782 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)C1 ZINC000721255889 778475472 /nfs/dbraw/zinc/47/54/72/778475472.db2.gz TWTMEPGWLVDTJX-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000721254854 778475512 /nfs/dbraw/zinc/47/55/12/778475512.db2.gz OBLLOFKFNLTJSQ-HOTGVXAUSA-N 2 0 268.445 2.797 20 0 CFADRP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](CCc1ccc(Cl)cc1)C2 ZINC001235402854 778476496 /nfs/dbraw/zinc/47/64/96/778476496.db2.gz JZNZCKCNLJTEMH-HOTGVXAUSA-N 2 0 296.817 2.906 20 0 CFADRP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](CCC1CCCC1)C2 ZINC001235409028 778479984 /nfs/dbraw/zinc/47/99/84/778479984.db2.gz VRKFYKWRYLNSEI-CABCVRRESA-N 2 0 254.393 2.590 20 0 CFADRP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](CCCC1CCCC1)C2 ZINC001235409021 778480039 /nfs/dbraw/zinc/48/00/39/778480039.db2.gz VRKDEYFSLBIBLG-HOTGVXAUSA-N 2 0 268.420 2.980 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424820 778487338 /nfs/dbraw/zinc/48/73/38/778487338.db2.gz JXZZILOCIJWFJZ-OBVSXPTNSA-N 2 0 274.452 2.910 20 0 CFADRP Cc1cc(C[N@H+](C)CC2CC[NH2+]CC2)cc(C)c1F ZINC001235433469 778488764 /nfs/dbraw/zinc/48/87/64/778488764.db2.gz ITGFFLIKWRWCOM-UHFFFAOYSA-N 2 0 264.388 2.874 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000697908429 778522702 /nfs/dbraw/zinc/52/27/02/778522702.db2.gz JFSRWDPDWYOJKM-UONOGXRCSA-N 2 0 264.413 2.556 20 0 CFADRP CC(C)[N@@H+](C1CCN(CC2CC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001168364949 778529384 /nfs/dbraw/zinc/52/93/84/778529384.db2.gz KHWLEDJDAINTFK-QAQDUYKDSA-N 2 0 293.499 2.841 20 0 CFADRP [NH3+]CCCC[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC001235659028 778529661 /nfs/dbraw/zinc/52/96/61/778529661.db2.gz KJBAZGKEDPBXQS-UHFFFAOYSA-N 2 0 269.392 2.823 20 0 CFADRP Cc1ccc(OC2CC[NH+](CCCC[NH3+])CC2)cc1 ZINC001235669861 778531570 /nfs/dbraw/zinc/53/15/70/778531570.db2.gz LONYVMXDKRFKBX-UHFFFAOYSA-N 2 0 262.397 2.577 20 0 CFADRP [NH3+]CCCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001235674116 778533247 /nfs/dbraw/zinc/53/32/47/778533247.db2.gz MIZDTTFNJGOFGJ-UHFFFAOYSA-N 2 0 250.361 2.744 20 0 CFADRP C[N@H+](CCOc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235677089 778534289 /nfs/dbraw/zinc/53/42/89/778534289.db2.gz XCAUEKIBOVRWKB-UHFFFAOYSA-N 2 0 282.387 2.801 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001235677270 778534550 /nfs/dbraw/zinc/53/45/50/778534550.db2.gz APIUHFPANXVNOW-GOEBONIOSA-N 2 0 250.430 2.910 20 0 CFADRP Fc1ccc(O[C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001235687107 778537197 /nfs/dbraw/zinc/53/71/97/778537197.db2.gz DYEGFQQSDVPWMT-DOTOQJQBSA-N 2 0 292.398 2.811 20 0 CFADRP CN(CCC[NH2+]C1CCCCC1)CCC[NH+]1CCCC1 ZINC001235692187 778539290 /nfs/dbraw/zinc/53/92/90/778539290.db2.gz WKBSIPGEAFTWSW-UHFFFAOYSA-N 2 0 281.488 2.717 20 0 CFADRP C[C@@H]1CCC[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H]1C ZINC001235694407 778539294 /nfs/dbraw/zinc/53/92/94/778539294.db2.gz FDCPERPUVOHIKJ-ZIAGYGMSSA-N 2 0 250.430 2.887 20 0 CFADRP C[N@H+](Cc1ccc2n1CC[NH2+]C2)C12CC3CC(CC(C3)C1)C2 ZINC001235691841 778539341 /nfs/dbraw/zinc/53/93/41/778539341.db2.gz WGPBOVCSJLINSJ-UHFFFAOYSA-N 2 0 299.462 2.992 20 0 CFADRP CCCOc1ncccc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235716415 778545585 /nfs/dbraw/zinc/54/55/85/778545585.db2.gz ASZUCKVOXPWQLB-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP CC1([NH3+])CC[NH+](Cc2cccc3c2CCCC3)CC1 ZINC001235748378 778551938 /nfs/dbraw/zinc/55/19/38/778551938.db2.gz LLGACBXWBNYVIW-UHFFFAOYSA-N 2 0 258.409 2.879 20 0 CFADRP C(C[NH2+]C1CCCCC1)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001235789461 778559465 /nfs/dbraw/zinc/55/94/65/778559465.db2.gz RCDUYCLCQVNBIR-GOSISDBHSA-N 2 0 293.499 2.859 20 0 CFADRP CCOc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1F ZINC001235802555 778562237 /nfs/dbraw/zinc/56/22/37/778562237.db2.gz XVQYNCWIVLNDGB-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001235854634 778581090 /nfs/dbraw/zinc/58/10/90/778581090.db2.gz MCSZLRUACZVXNF-OAGGEKHMSA-N 2 0 250.430 2.888 20 0 CFADRP Cc1cc(CN(CC[NH3+])CC[NH3+])ccc1Oc1ccccc1 ZINC001235879482 778588352 /nfs/dbraw/zinc/58/83/52/778588352.db2.gz CPAJFZSTYZUUFP-UHFFFAOYSA-N 2 0 299.418 2.507 20 0 CFADRP CC1(C)[C@@H]2C[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C[C@@H]21 ZINC001235893125 778593604 /nfs/dbraw/zinc/59/36/04/778593604.db2.gz KVVAGYGOIMFIOL-CALCHBBNSA-N 2 0 295.430 2.832 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235894178 778595091 /nfs/dbraw/zinc/59/50/91/778595091.db2.gz UUDVLCNYJBTHJL-PKOBYXMFSA-N 2 0 299.462 2.861 20 0 CFADRP CCn1ccc2c1cccc2CN1C[C@@H]([NH3+])CC[C@H]1C ZINC001235906874 778604776 /nfs/dbraw/zinc/60/47/76/778604776.db2.gz PCYLHRINLHWMTO-HIFRSBDPSA-N 2 0 271.408 2.973 20 0 CFADRP Cc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925868 778612233 /nfs/dbraw/zinc/61/22/33/778612233.db2.gz QEIGHAFZYIEMIH-AWEZNQCLSA-N 2 0 252.789 2.962 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001235929345 778613737 /nfs/dbraw/zinc/61/37/37/778613737.db2.gz MKMYAWWQACGZSK-CVEARBPZSA-N 2 0 272.436 2.896 20 0 CFADRP Cc1ccc(OC(C)C)cc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235938872 778617451 /nfs/dbraw/zinc/61/74/51/778617451.db2.gz MANBWIXXVQYUMS-WBVHZDCISA-N 2 0 288.435 2.824 20 0 CFADRP Cc1ccc(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC001235939023 778618349 /nfs/dbraw/zinc/61/83/49/778618349.db2.gz NQKLRDZLVNPDTO-DOTOQJQBSA-N 2 0 288.435 2.824 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1C ZINC001235936789 778618385 /nfs/dbraw/zinc/61/83/85/778618385.db2.gz HEYPOZNOMUYFEH-RDJZCZTQSA-N 2 0 258.409 2.653 20 0 CFADRP CC[C@@H]1CCC[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001235950066 778624211 /nfs/dbraw/zinc/62/42/11/778624211.db2.gz ZRZSIEXCVLUYJP-MRXNPFEDSA-N 2 0 287.451 2.718 20 0 CFADRP CC(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235959344 778628432 /nfs/dbraw/zinc/62/84/32/778628432.db2.gz OFUWFMXMCVHMNN-BJWYYQGGSA-N 2 0 258.409 2.979 20 0 CFADRP COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1C ZINC001235958547 778628562 /nfs/dbraw/zinc/62/85/62/778628562.db2.gz IETSIJIRYOIALF-JLVBRIDZSA-N 2 0 288.435 2.790 20 0 CFADRP CCc1cccc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959194 778628666 /nfs/dbraw/zinc/62/86/66/778628666.db2.gz HMQMIDDDVYVJEP-SCAQPMJSSA-N 2 0 258.409 2.727 20 0 CFADRP c1ccc([C@@H]2CCC[N@@H+](CC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC001235960653 778629694 /nfs/dbraw/zinc/62/96/94/778629694.db2.gz WILUFSBLUWWGQW-QZTJIDSGSA-N 2 0 288.435 2.635 20 0 CFADRP CC[N@H+](CCC[NH2+]C)Cc1ccc(Br)cc1 ZINC001235963035 778630995 /nfs/dbraw/zinc/63/09/95/778630995.db2.gz RMXVJODUQALNQH-UHFFFAOYSA-N 2 0 285.229 2.881 20 0 CFADRP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001235963914 778631028 /nfs/dbraw/zinc/63/10/28/778631028.db2.gz XYPPQNKHWLZMPC-ZACQAIPSSA-N 2 0 298.471 2.628 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235991036 778644046 /nfs/dbraw/zinc/64/40/46/778644046.db2.gz FRFPIMHGDXKAFH-PMRDEQMMSA-N 2 0 280.456 2.665 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4CC[C@]4([NH3+])C3)cc21 ZINC001235998630 778648597 /nfs/dbraw/zinc/64/85/97/778648597.db2.gz YFMRIRXQFXXXRF-LPHOPBHVSA-N 2 0 297.446 2.611 20 0 CFADRP Fc1ccccc1CN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011843 778654313 /nfs/dbraw/zinc/65/43/13/778654313.db2.gz CFRCTJFNUSAOFG-MJGOQNOKSA-N 2 0 296.389 2.799 20 0 CFADRP COC(=O)CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236045857 778664919 /nfs/dbraw/zinc/66/49/19/778664919.db2.gz XLNZIRRWEOQXQF-JKSUJKDBSA-N 2 0 298.471 2.949 20 0 CFADRP COC(=O)CCCCCCCCC[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236098102 778691725 /nfs/dbraw/zinc/69/17/25/778691725.db2.gz NRGMIIBVHWBOFD-INIZCTEOSA-N 2 0 298.471 2.964 20 0 CFADRP CC[N@H+](Cc1ccc(OC)cc1)CC1(C)CC[NH2+]CC1 ZINC001236101211 778693108 /nfs/dbraw/zinc/69/31/08/778693108.db2.gz NYGMVFKEHCAHCQ-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP Nc1ccc2c(c1)CC[N@@H+](Cc1cc3c(s1)C[NH2+]CC3)C2 ZINC001236106370 778696854 /nfs/dbraw/zinc/69/68/54/778696854.db2.gz TUCDVBCHDSCABM-UHFFFAOYSA-N 2 0 299.443 2.534 20 0 CFADRP C[N@@H+]1CCC[C@H]1COC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001224817040 778705202 /nfs/dbraw/zinc/70/52/02/778705202.db2.gz GSCDMWLXPHFRSU-ZDUSSCGKSA-N 2 0 268.445 2.749 20 0 CFADRP CCCC[C@H]1CN(CCC[NH2+]C2CCCCC2)CC[NH2+]1 ZINC001236134395 778709363 /nfs/dbraw/zinc/70/93/63/778709363.db2.gz BSNDMDPMCCREHU-KRWDZBQOSA-N 2 0 281.488 2.763 20 0 CFADRP Cc1cc2[nH]ccc2c(-c2cnn(CCC[NH+](C)C)c2)[nH+]1 ZINC001236150655 778718841 /nfs/dbraw/zinc/71/88/41/778718841.db2.gz ZJKQTWKNRXPNKV-UHFFFAOYSA-N 2 0 283.379 2.687 20 0 CFADRP CC1(C)C[NH+](CC2CC3(C2)CC[NH2+]CC3)CC(C)(C)O1 ZINC001236154912 778720523 /nfs/dbraw/zinc/72/05/23/778720523.db2.gz WNEXHDRJCZMBTO-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](OCC)C2)C1 ZINC000721241268 778741423 /nfs/dbraw/zinc/74/14/23/778741423.db2.gz VURYDJMOCGHVGX-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP C(C1CC1)[NH+]1CCC(N2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001168378141 778746652 /nfs/dbraw/zinc/74/66/52/778746652.db2.gz LSRVHWVXMCJPPY-CVEARBPZSA-N 2 0 262.441 2.983 20 0 CFADRP Fc1cccc(CCC[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314182 778772901 /nfs/dbraw/zinc/77/29/01/778772901.db2.gz JOXWMIHCYQGUIE-IYBDPMFKSA-N 2 0 276.399 2.690 20 0 CFADRP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1C ZINC001236314138 778773142 /nfs/dbraw/zinc/77/31/42/778773142.db2.gz HIFXJRQNZIIWQP-IYBDPMFKSA-N 2 0 288.435 2.743 20 0 CFADRP Clc1cccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315213 778773865 /nfs/dbraw/zinc/77/38/65/778773865.db2.gz WDNKHUZDCYLBFT-OKILXGFUSA-N 2 0 264.800 2.771 20 0 CFADRP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314469 778773878 /nfs/dbraw/zinc/77/38/78/778773878.db2.gz NMYOSWCTIVZTMO-VVLHAWIVSA-N 2 0 262.441 2.910 20 0 CFADRP c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314946 778774013 /nfs/dbraw/zinc/77/40/13/778774013.db2.gz SNTXCHOQWZHXDT-OKILXGFUSA-N 2 0 269.392 2.599 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1F ZINC001236315536 778775039 /nfs/dbraw/zinc/77/50/39/778775039.db2.gz KMXRPXXIKPURSK-GASCZTMLSA-N 2 0 262.372 2.566 20 0 CFADRP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236317465 778776704 /nfs/dbraw/zinc/77/67/04/778776704.db2.gz XXWVOQOFTYBECN-CALCHBBNSA-N 2 0 288.435 2.905 20 0 CFADRP FC(F)(F)c1cnccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320115 778777852 /nfs/dbraw/zinc/77/78/52/778777852.db2.gz BYFFAWUKFNDBTA-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1 ZINC001236320121 778778060 /nfs/dbraw/zinc/77/80/60/778778060.db2.gz CGZDINAIFHLMQU-OKILXGFUSA-N 2 0 292.398 2.656 20 0 CFADRP CCc1ccccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321096 778778994 /nfs/dbraw/zinc/77/89/94/778778994.db2.gz VRRGFJDTIPPFRZ-CALCHBBNSA-N 2 0 258.409 2.680 20 0 CFADRP c1nc2cccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2s1 ZINC001236321371 778779309 /nfs/dbraw/zinc/77/93/09/778779309.db2.gz IXCJAIAFPAHHNK-BETUJISGSA-N 2 0 287.432 2.728 20 0 CFADRP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1F ZINC001236321083 778779667 /nfs/dbraw/zinc/77/96/67/778779667.db2.gz OPUWFVULFWMATG-GASCZTMLSA-N 2 0 292.398 2.656 20 0 CFADRP C[NH+](C)CCOc1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236352669 778789976 /nfs/dbraw/zinc/78/99/76/778789976.db2.gz HLANNOMGHNLTID-UHFFFAOYSA-N 2 0 296.414 2.940 20 0 CFADRP [NH3+][C@@H]1CCc2c1cccc2-c1cccc2c1CC[NH2+]C2 ZINC001236359394 778790979 /nfs/dbraw/zinc/79/09/79/778790979.db2.gz NEVRLWHOHYPJKA-GOSISDBHSA-N 2 0 264.372 2.945 20 0 CFADRP CC[N@@H+](Cc1cccc2c1CCCC2)C[C@@H]1CC[NH2+]C1 ZINC001236407100 778805602 /nfs/dbraw/zinc/80/56/02/778805602.db2.gz BPTFJJOCNRLRMP-OAHLLOKOSA-N 2 0 272.436 2.997 20 0 CFADRP C[N@H+](CCCc1ccc(C(F)(F)F)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412082 778806282 /nfs/dbraw/zinc/80/62/82/778806282.db2.gz QGRDQPFPKCJFKQ-FICVDOATSA-N 2 0 298.352 2.788 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410693 778806406 /nfs/dbraw/zinc/80/64/06/778806406.db2.gz JDYVUPROAXJZCW-WCVJEAGWSA-N 2 0 250.430 2.909 20 0 CFADRP C(C[N@@H+]1CCOC[C@H]1C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236434757 778828579 /nfs/dbraw/zinc/82/85/79/778828579.db2.gz VQJDPGNMRIAVFY-RDJZCZTQSA-N 2 0 280.456 2.657 20 0 CFADRP CCOCC[N@H+](Cc1ccc(C)cc1C)C1CC[NH2+]CC1 ZINC001236459985 778834248 /nfs/dbraw/zinc/83/42/48/778834248.db2.gz KCFWQHZFSVBKTE-UHFFFAOYSA-N 2 0 290.451 2.894 20 0 CFADRP [NH3+]CCCC[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236454228 778834356 /nfs/dbraw/zinc/83/43/56/778834356.db2.gz WZECCGHYNLPKJO-UHFFFAOYSA-N 3 0 295.858 2.633 20 0 CFADRP [NH3+]CCCC[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236534671 778868762 /nfs/dbraw/zinc/86/87/62/778868762.db2.gz ZMBCQGILHOKJFW-WKILWMFISA-N 3 0 293.430 2.637 20 0 CFADRP Cc1cccc2c(CN3[C@@H](C)CC[C@H]3C[NH3+])c[nH]c21 ZINC001205064330 778871435 /nfs/dbraw/zinc/87/14/35/778871435.db2.gz MSUOVZUXYJDBAW-JSGCOSHPSA-N 2 0 257.381 2.788 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236565871 778877643 /nfs/dbraw/zinc/87/76/43/778877643.db2.gz QLBOLHPCWAWXTI-ZOBUZTSGSA-N 3 0 279.472 2.501 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CCC2CC[NH2+]CC2)C2CCC2)CC1 ZINC001236573117 778880144 /nfs/dbraw/zinc/88/01/44/778880144.db2.gz ZCDQCLQLZMYMSK-JCNLHEQBSA-N 3 0 279.472 2.501 20 0 CFADRP C[C@H](CC[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1)CC(C)(C)C ZINC001236614818 778894152 /nfs/dbraw/zinc/89/41/52/778894152.db2.gz BZBIXHKMSDMHCY-CVEARBPZSA-N 2 0 295.515 2.946 20 0 CFADRP [NH3+]CCCCCCN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236646669 778902046 /nfs/dbraw/zinc/90/20/46/778902046.db2.gz HVGWUNNKLYBWJU-MRXNPFEDSA-N 2 0 267.461 2.502 20 0 CFADRP CC[C@H]([NH3+])C[N@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236725703 778921606 /nfs/dbraw/zinc/92/16/06/778921606.db2.gz CCICITZOYXIKHL-BZSNNMDCSA-N 3 0 289.467 2.804 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCN2)CC2CCCCC2)CC1 ZINC001236754748 778929381 /nfs/dbraw/zinc/92/93/81/778929381.db2.gz JGFNJAJFYZVWME-BRWVUGGUSA-N 2 0 279.472 2.501 20 0 CFADRP CCC(CC)[N@H+](Cc1ccnc(N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790847 778937528 /nfs/dbraw/zinc/93/75/28/778937528.db2.gz LIPSSMRSNDSNQX-KOMQPUFPSA-N 2 0 290.455 2.924 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236831342 778957868 /nfs/dbraw/zinc/95/78/68/778957868.db2.gz QOMDFFZHQZPJFX-BHYGNILZSA-N 2 0 258.409 2.727 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC001236832631 778958082 /nfs/dbraw/zinc/95/80/82/778958082.db2.gz WHHDPRFHOWYDLH-BBWFWOEESA-N 2 0 288.435 2.951 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001236885095 778973351 /nfs/dbraw/zinc/97/33/51/778973351.db2.gz YGRKYUOWETWZHP-INIZCTEOSA-N 2 0 287.451 2.857 20 0 CFADRP Cc1n[nH]c(C)c1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947888 778983618 /nfs/dbraw/zinc/98/36/18/778983618.db2.gz MVWQNJPHTPCGSG-UHFFFAOYSA-N 2 0 290.455 2.628 20 0 CFADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001237055637 779002594 /nfs/dbraw/zinc/00/25/94/779002594.db2.gz DERBMFPGRGMTCK-QGZVFWFLSA-N 2 0 290.527 2.793 20 0 CFADRP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc3c(c2)NCCC3)C1 ZINC001237079857 779006217 /nfs/dbraw/zinc/00/62/17/779006217.db2.gz CNUVMEPPPKBDLK-QGZVFWFLSA-N 2 0 273.424 2.606 20 0 CFADRP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCCN2 ZINC001237081557 779006622 /nfs/dbraw/zinc/00/66/22/779006622.db2.gz KVPJBHZQGZZGHP-ZXFUBFMLSA-N 2 0 285.435 2.746 20 0 CFADRP Cc1ncc2n1CCN([C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168433163 779040688 /nfs/dbraw/zinc/04/06/88/779040688.db2.gz WIAKCUYLNVFYQL-MRXNPFEDSA-N 2 0 285.366 2.704 20 0 CFADRP C[C@@H]1C(=O)CCN(CC[C@@H]2CCCC[NH2+]2)C12CCCC2 ZINC001237191466 779045282 /nfs/dbraw/zinc/04/52/82/779045282.db2.gz NJJXZFOJCLKAAO-CABCVRRESA-N 2 0 278.440 2.742 20 0 CFADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])C[C@](C)(C(F)F)O1 ZINC000698847071 779067660 /nfs/dbraw/zinc/06/76/60/779067660.db2.gz YETXOWIIHNTCFV-TZMCWYRMSA-N 2 0 278.387 2.640 20 0 CFADRP Fc1ccccc1CCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237374004 779084336 /nfs/dbraw/zinc/08/43/36/779084336.db2.gz AJUWHUXRIVUUKD-WBVHZDCISA-N 2 0 276.399 2.832 20 0 CFADRP c1cc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2[nH]1 ZINC001237381165 779087698 /nfs/dbraw/zinc/08/76/98/779087698.db2.gz IEZRZBZOZIZTQX-HZPDHXFCSA-N 2 0 269.392 2.742 20 0 CFADRP c1cc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2[nH]1 ZINC001237381158 779087707 /nfs/dbraw/zinc/08/77/07/779087707.db2.gz IEZRZBZOZIZTQX-CVEARBPZSA-N 2 0 269.392 2.742 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237384169 779088805 /nfs/dbraw/zinc/08/88/05/779088805.db2.gz VELBFOBMUQGLQP-GDBMZVCRSA-N 2 0 262.397 2.595 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(C)s1 ZINC001237391420 779093857 /nfs/dbraw/zinc/09/38/57/779093857.db2.gz KZICSXAGCGVKCT-UKRRQHHQSA-N 2 0 264.438 2.939 20 0 CFADRP CCc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237404643 779098736 /nfs/dbraw/zinc/09/87/36/779098736.db2.gz OGKICICLIGIVDT-SJORKVTESA-N 2 0 258.409 2.823 20 0 CFADRP COc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC001237405452 779098757 /nfs/dbraw/zinc/09/87/57/779098757.db2.gz QMNYJRKCCUSBME-RDJZCZTQSA-N 2 0 274.408 2.578 20 0 CFADRP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCCC[NH3+])cc1 ZINC001237411185 779101624 /nfs/dbraw/zinc/10/16/24/779101624.db2.gz OKMNBUPMAXUEOM-INIZCTEOSA-N 2 0 290.407 2.739 20 0 CFADRP COc1c(C)cccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001237510909 779123672 /nfs/dbraw/zinc/12/36/72/779123672.db2.gz MAESZTOOQZYNBP-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@@H]([NH3+])CC2)o1 ZINC001205093845 779163189 /nfs/dbraw/zinc/16/31/89/779163189.db2.gz GKLWKZBZVOWVFU-TZMCWYRMSA-N 2 0 250.386 2.895 20 0 CFADRP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@H]([NH3+])CC2)o1 ZINC001205093843 779163502 /nfs/dbraw/zinc/16/35/02/779163502.db2.gz GKLWKZBZVOWVFU-JSGCOSHPSA-N 2 0 250.386 2.895 20 0 CFADRP [NH3+][C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC001205094194 779166763 /nfs/dbraw/zinc/16/67/63/779166763.db2.gz KBCAXCPGZIRIKD-LBPRGKRZSA-N 2 0 270.323 2.601 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001168456072 779183971 /nfs/dbraw/zinc/18/39/71/779183971.db2.gz NNEFWASXDVWJGB-VDNDLQMASA-N 2 0 276.399 2.972 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001168463639 779207601 /nfs/dbraw/zinc/20/76/01/779207601.db2.gz ALNOEWGFWWABJI-UGFHNGPFSA-N 2 0 250.361 2.616 20 0 CFADRP CCOc1cc(F)cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c1 ZINC001237918712 779208653 /nfs/dbraw/zinc/20/86/53/779208653.db2.gz AYQIXJPAAMRKCE-UHFFFAOYSA-N 2 0 292.398 2.752 20 0 CFADRP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H]([NH3+])CC3)cc2c1 ZINC001205102387 779211243 /nfs/dbraw/zinc/21/12/43/779211243.db2.gz REACGUJTTKHAMF-AWEZNQCLSA-N 2 0 257.381 2.790 20 0 CFADRP COc1ccccc1C[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699313167 779240685 /nfs/dbraw/zinc/24/06/85/779240685.db2.gz VPHKJDQETUVVLV-VHRNVKJDSA-N 2 0 274.408 2.658 20 0 CFADRP CCOc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1C ZINC001238071636 779247420 /nfs/dbraw/zinc/24/74/20/779247420.db2.gz BNJTXLNPLKYSIH-SJORKVTESA-N 2 0 288.435 2.777 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001168483957 779281821 /nfs/dbraw/zinc/28/18/21/779281821.db2.gz DBKRDYNRALFODN-BMFZPTHFSA-N 2 0 276.399 2.640 20 0 CFADRP COc1ccccc1CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715233332 779304471 /nfs/dbraw/zinc/30/44/71/779304471.db2.gz CXCDBQBTLZEDHM-UHFFFAOYSA-N 2 0 276.424 2.700 20 0 CFADRP CC[N@H+](Cc1ncc(C)cc1C)C1CCN(C)CC1 ZINC001238428377 779313376 /nfs/dbraw/zinc/31/33/76/779313376.db2.gz IMELRDYBOLBHAZ-UHFFFAOYSA-N 2 0 261.413 2.615 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1ncc(C)cc1C ZINC001238436539 779315528 /nfs/dbraw/zinc/31/55/28/779315528.db2.gz XXMCHGMXLQZDON-UHFFFAOYSA-N 2 0 263.429 2.862 20 0 CFADRP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235271021 779336174 /nfs/dbraw/zinc/33/61/74/779336174.db2.gz OMCQRTZCWHVOPQ-RDJZCZTQSA-N 2 0 258.409 2.741 20 0 CFADRP COc1cc(C)cc(F)c1CN1CC2(C1)CC[NH+](C)CC2 ZINC001238590200 779344892 /nfs/dbraw/zinc/34/48/92/779344892.db2.gz DBQPVQNIGRNPTM-UHFFFAOYSA-N 2 0 292.398 2.670 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000699721832 779345660 /nfs/dbraw/zinc/34/56/60/779345660.db2.gz WQXSDNJXSCGUDE-NWBUJAPZSA-N 2 0 272.383 2.644 20 0 CFADRP CC1=C[C@H](C)[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001235433618 779353791 /nfs/dbraw/zinc/35/37/91/779353791.db2.gz LAZPGUNJDFYAIY-GOEBONIOSA-N 2 0 250.430 2.910 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001168498203 779357269 /nfs/dbraw/zinc/35/72/69/779357269.db2.gz QZAFRXMMCXIDAV-YOEHRIQHSA-N 2 0 276.399 2.784 20 0 CFADRP c1ccc(CCC2CC[NH+](CCC3C[NH2+]C3)CC2)cc1 ZINC001235676260 779369143 /nfs/dbraw/zinc/36/91/43/779369143.db2.gz QOMAZYKNOGOALQ-UHFFFAOYSA-N 2 0 272.436 2.941 20 0 CFADRP CCOc1ccc(C)c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001238711431 779373188 /nfs/dbraw/zinc/37/31/88/779373188.db2.gz LOSZXVOWWQCIKC-GOSISDBHSA-N 2 0 288.435 2.921 20 0 CFADRP Cc1cc(C)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)c1 ZINC001235929831 779409813 /nfs/dbraw/zinc/40/98/13/779409813.db2.gz UUKALFCBBGGRKE-HZPDHXFCSA-N 2 0 258.409 2.653 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccc3c(c2)[C@@H]([NH3+])CC3)cn1 ZINC001239215957 779477026 /nfs/dbraw/zinc/47/70/26/779477026.db2.gz HYWBRGVHAPMCNJ-SFHVURJKSA-N 2 0 298.434 2.838 20 0 CFADRP CCC[N@H+](Cc1cc(F)cc(N(C)C)c1)C1CC[NH2+]CC1 ZINC001236184351 779493782 /nfs/dbraw/zinc/49/37/82/779493782.db2.gz OSSJRSDFIKZBPI-UHFFFAOYSA-N 2 0 293.430 2.856 20 0 CFADRP CCc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236322431 779540072 /nfs/dbraw/zinc/54/00/72/779540072.db2.gz WZHNMTYNGKGQGI-BETUJISGSA-N 2 0 264.438 2.742 20 0 CFADRP Cc1cc(C)cc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)c1 ZINC001212336074 779618119 /nfs/dbraw/zinc/61/81/19/779618119.db2.gz TYRNKNDPFWNNGJ-INIZCTEOSA-N 2 0 288.395 2.656 20 0 CFADRP Cc1cc(Br)cc(CN(C)C[C@H](C)[NH3+])c1 ZINC001236900246 779657731 /nfs/dbraw/zinc/65/77/31/779657731.db2.gz QMVPZKCNCNEQFR-JTQLQIEISA-N 2 0 271.202 2.537 20 0 CFADRP C[NH+](C)CCN(CCC1CCCCC1)C1CC[NH2+]CC1 ZINC001236911285 779657980 /nfs/dbraw/zinc/65/79/80/779657980.db2.gz ACLVSPNTJAMJDY-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001239682145 779707630 /nfs/dbraw/zinc/70/76/30/779707630.db2.gz VNSKIOPUEKJLQF-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP [NH3+]Cc1cncc(-c2cccc(C3CC[NH2+]CC3)c2)c1 ZINC001239797719 779779447 /nfs/dbraw/zinc/77/94/47/779779447.db2.gz DNJDPRVAETYHHT-UHFFFAOYSA-N 2 0 267.376 2.674 20 0 CFADRP c1ccc2c(c1)nccc2-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001239851509 779819949 /nfs/dbraw/zinc/81/99/49/779819949.db2.gz OLKQHKNYSRZRQE-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP c1cc(C2=CCC[NH2+]CC2)cc(C2CC[NH2+]CC2)c1 ZINC001238945599 779856120 /nfs/dbraw/zinc/85/61/20/779856120.db2.gz SBRQBXBOYNHNKH-UHFFFAOYSA-N 2 0 256.393 2.920 20 0 CFADRP CC(C)=CCC[C@H](C)CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205211458 779923412 /nfs/dbraw/zinc/92/34/12/779923412.db2.gz UWQVQXSUPQUNIV-DLBZAZTESA-N 2 0 282.472 2.935 20 0 CFADRP Cc1c(-c2ccccc2C[NH+]2CCC(C[NH3+])CC2)cnn1C ZINC001240384217 780127898 /nfs/dbraw/zinc/12/78/98/780127898.db2.gz OVFIEMQDXUJBDF-UHFFFAOYSA-N 2 0 298.434 2.566 20 0 CFADRP [NH3+]CC1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC001205026173 780131567 /nfs/dbraw/zinc/13/15/67/780131567.db2.gz LXBPUFCTNXJKQK-UHFFFAOYSA-N 2 0 270.779 2.692 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240469652 780187316 /nfs/dbraw/zinc/18/73/16/780187316.db2.gz IFZPBWQYBHUKBE-QZTJIDSGSA-N 2 0 286.419 2.850 20 0 CFADRP Cc1onc(-c2ccccc2)c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205041179 780236794 /nfs/dbraw/zinc/23/67/94/780236794.db2.gz NSKPYECMQWNQLU-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@@H+](C2CC(OC(C)(C)C)C2)CC1 ZINC000450851909 780336401 /nfs/dbraw/zinc/33/64/01/780336401.db2.gz CWRDDFXGWMCKNX-WLYUNCDWSA-N 2 0 268.445 2.749 20 0 CFADRP CC[NH+](CC)Cc1cc(C2=CCC[NH2+]C2)ccc1OC ZINC001240671745 780345046 /nfs/dbraw/zinc/34/50/46/780345046.db2.gz XFRJQMUGOXTYNA-UHFFFAOYSA-N 2 0 274.408 2.914 20 0 CFADRP Cc1ncccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001240730192 780397340 /nfs/dbraw/zinc/39/73/40/780397340.db2.gz HURILXFZYSWCET-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)C12CCC2 ZINC000453059126 780411196 /nfs/dbraw/zinc/41/11/96/780411196.db2.gz ASQSJXJRTKPUKX-IRXDYDNUSA-N 2 0 288.435 2.795 20 0 CFADRP CC(C)C[C@@H](CN1CCCC1)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000453248467 780428408 /nfs/dbraw/zinc/42/84/08/780428408.db2.gz FKIJZNXWBVVMSC-GOEBONIOSA-N 2 0 290.455 2.887 20 0 CFADRP C[NH+]1CC2(C1)CC[NH+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168737571 780580420 /nfs/dbraw/zinc/58/04/20/780580420.db2.gz ACRHHFJZFJEXRH-AWEZNQCLSA-N 2 0 290.838 2.835 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cccn1C1CC1)C1CC1 ZINC001117782746 780643277 /nfs/dbraw/zinc/64/32/77/780643277.db2.gz QTMCCHZVTGXKKL-UHFFFAOYSA-N 2 0 261.413 2.787 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000700850340 780732735 /nfs/dbraw/zinc/73/27/35/780732735.db2.gz VYTSLMFSZMRLLJ-UHFFFAOYSA-N 2 0 268.445 2.655 20 0 CFADRP CC[NH+](CC)Cc1ccncc1C1=CC[N@H+](C)CC1 ZINC001241333121 780788160 /nfs/dbraw/zinc/78/81/60/780788160.db2.gz RYGPPOFPSUCLTE-UHFFFAOYSA-N 2 0 259.397 2.642 20 0 CFADRP CC[NH+](CC)C1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000169665609 780937981 /nfs/dbraw/zinc/93/79/81/780937981.db2.gz GEPFFUXAAULZJN-RDHHWEPZSA-N 2 0 282.472 2.780 20 0 CFADRP Nc1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC001241543662 780966726 /nfs/dbraw/zinc/96/67/26/780966726.db2.gz RDQDIFWXUMJYDU-UHFFFAOYSA-N 2 0 281.403 2.859 20 0 CFADRP CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C1CCC(C)(O)CC1 ZINC000702966195 780976228 /nfs/dbraw/zinc/97/62/28/780976228.db2.gz BWKCHIAGVGXMFN-BBBYJDLNSA-N 2 0 279.428 2.581 20 0 CFADRP C[NH+]1CCCC[C@H]1c1ccc(C2=CCC[N@@H+](C)C2)nc1 ZINC001241568512 780984116 /nfs/dbraw/zinc/98/41/16/780984116.db2.gz FDXLKJVVZWOIID-KRWDZBQOSA-N 2 0 271.408 2.957 20 0 CFADRP CC[NH+](CC)Cc1ccc(-c2ncc3c(n2)C[NH2+]CC3)cc1 ZINC001241572763 780990779 /nfs/dbraw/zinc/99/07/79/780990779.db2.gz ACNOTEJFJJHUSM-UHFFFAOYSA-N 2 0 296.418 2.631 20 0 CFADRP Cc1ccc(C[NH+]2CCCC2)cc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241614169 781017966 /nfs/dbraw/zinc/01/79/66/781017966.db2.gz LJUIYWVRCIYVOA-UHFFFAOYSA-N 2 0 296.418 2.599 20 0 CFADRP C[C@H]1CC[C@@H](CN)[N@@H+]1CCCc1cccc(F)c1 ZINC001205058069 781063070 /nfs/dbraw/zinc/06/30/70/781063070.db2.gz DUGZHSAFOUZMDT-WFASDCNBSA-N 2 0 250.361 2.570 20 0 CFADRP c1cc2ccc(-c3cc(N4CC[NH2+]CC4)cc[nH+]3)cc2cn1 ZINC001241676670 781066991 /nfs/dbraw/zinc/06/69/91/781066991.db2.gz PCAIEMPVEXKQKJ-UHFFFAOYSA-N 2 0 290.370 2.706 20 0 CFADRP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC001118020777 781090844 /nfs/dbraw/zinc/09/08/44/781090844.db2.gz YEYQSFYIWQLDTJ-ZDUSSCGKSA-N 2 0 280.412 2.570 20 0 CFADRP C[NH+](C)Cc1ccccc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC001241774740 781122766 /nfs/dbraw/zinc/12/27/66/781122766.db2.gz KMNBMHWOCBTJEQ-UHFFFAOYSA-N 2 0 284.407 2.536 20 0 CFADRP [NH3+]C1CC[NH+](Cc2cccc(-c3cnn(C4CC4)c3)c2)CC1 ZINC001241909567 781174865 /nfs/dbraw/zinc/17/48/65/781174865.db2.gz NCGGXLDYYAMLPS-UHFFFAOYSA-N 2 0 296.418 2.808 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC001241916526 781180021 /nfs/dbraw/zinc/18/00/21/781180021.db2.gz AUFJTHOXHJFJDF-UHFFFAOYSA-N 2 0 296.414 2.687 20 0 CFADRP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000706544787 781186560 /nfs/dbraw/zinc/18/65/60/781186560.db2.gz QMSFGJZDBMTMHM-IXYNUQLISA-N 2 0 250.430 2.933 20 0 CFADRP c1cc(C[NH2+][C@H]2CCCC23CC3)c2c(c1)C[NH2+]CC2 ZINC000706612543 781191959 /nfs/dbraw/zinc/19/19/59/781191959.db2.gz OGBHDDBSUSFOJB-INIZCTEOSA-N 2 0 256.393 2.755 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC(SC)C1 ZINC000706860078 781206134 /nfs/dbraw/zinc/20/61/34/781206134.db2.gz XLEFMKNLSHQZAO-IYXRBSQSSA-N 2 0 258.475 2.981 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1(C)CC1 ZINC000706955004 781218480 /nfs/dbraw/zinc/21/84/80/781218480.db2.gz FPQUDDMSGMDBMF-CYBMUJFWSA-N 2 0 259.397 2.829 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc(=O)[nH]c3)cc2)CC1 ZINC001242065130 781258344 /nfs/dbraw/zinc/25/83/44/781258344.db2.gz GJLLGZXOJSJXKL-UHFFFAOYSA-N 2 0 297.402 2.625 20 0 CFADRP c1cc(C[NH+]2CCCC2)cc(-c2cnc3c(c2)C[NH2+]CC3)c1 ZINC001242118514 781289604 /nfs/dbraw/zinc/28/96/04/781289604.db2.gz QPDMCNFFCNLCHW-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP C[C@@]1(C(F)(F)F)CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000709638180 781316596 /nfs/dbraw/zinc/31/65/96/781316596.db2.gz OCHKBXSUIQIEBU-GFCCVEGCSA-N 2 0 264.335 2.650 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)sn1 ZINC000709839817 781319428 /nfs/dbraw/zinc/31/94/28/781319428.db2.gz YEWXUEZRCPYKOD-RBSFLKMASA-N 2 0 279.453 2.586 20 0 CFADRP CC(C)(CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000709852740 781320016 /nfs/dbraw/zinc/32/00/16/781320016.db2.gz IDSNQGJRJDHJDI-ZYHUDNBSSA-N 2 0 278.362 2.882 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3CCC2CC3)C[C@H]1C(F)(F)F ZINC000709861031 781320324 /nfs/dbraw/zinc/32/03/24/781320324.db2.gz LIAJWWXBVPMPMO-PNKMZZHYSA-N 2 0 290.373 2.882 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CC[NH2+]1 ZINC000710500124 781334249 /nfs/dbraw/zinc/33/42/49/781334249.db2.gz ROHQJHUQOGZFDF-MMLUDYIGSA-N 2 0 262.441 2.789 20 0 CFADRP Cc1ccccc1OCC[N@H+](C)CCCCCC[NH3+] ZINC000710805762 781340298 /nfs/dbraw/zinc/34/02/98/781340298.db2.gz RUFBZRQTQPBMJG-UHFFFAOYSA-N 2 0 264.413 2.825 20 0 CFADRP C[C@@H]1CSCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000710836952 781340569 /nfs/dbraw/zinc/34/05/69/781340569.db2.gz FGHCNGWFPKQWDB-NSHDSACASA-N 2 0 282.478 2.579 20 0 CFADRP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)OC1 ZINC000711360135 781416266 /nfs/dbraw/zinc/41/62/66/781416266.db2.gz MXFOIFVYNGFAOM-KLHDSHLOSA-N 2 0 280.456 2.702 20 0 CFADRP C1=C[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000711750163 781469928 /nfs/dbraw/zinc/46/99/28/781469928.db2.gz NRYBUCAEWHNQGK-CQSZACIVSA-N 2 0 257.381 2.606 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711839908 781478440 /nfs/dbraw/zinc/47/84/40/781478440.db2.gz MGSQOIAHXCVNQK-NVXWUHKLSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001118335931 781590287 /nfs/dbraw/zinc/59/02/87/781590287.db2.gz XTZSGWSPRGEWGW-STQMWFEESA-N 2 0 254.324 2.984 20 0 CFADRP Cc1oncc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001242603355 781633011 /nfs/dbraw/zinc/63/30/11/781633011.db2.gz XVVCPIQZWHVEAG-UHFFFAOYSA-N 2 0 285.391 2.821 20 0 CFADRP C[NH2+]Cc1ccccc1-c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242731367 781726991 /nfs/dbraw/zinc/72/69/91/781726991.db2.gz WIZKSFAYWYOHGN-UHFFFAOYSA-N 2 0 284.407 2.536 20 0 CFADRP CCCn1nccc1-c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001242847016 781799667 /nfs/dbraw/zinc/79/96/67/781799667.db2.gz TVLMHWINGPOIQN-UHFFFAOYSA-N 2 0 298.434 2.883 20 0 CFADRP Cc1ccc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)nc1 ZINC001242907318 781836340 /nfs/dbraw/zinc/83/63/40/781836340.db2.gz HGJCBYYICBZIAT-UHFFFAOYSA-N 2 0 281.403 2.980 20 0 CFADRP C[NH2+]Cc1ccc(-c2cccc(CN3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001242994234 781907959 /nfs/dbraw/zinc/90/79/59/781907959.db2.gz RRCOQWNSXWKPRK-LJQANCHMSA-N 2 0 295.430 2.606 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc([C@H]3CCC[NH2+]3)cn2)c1 ZINC001242995753 781910412 /nfs/dbraw/zinc/91/04/12/781910412.db2.gz WOOLLZMQRXNZTD-MRXNPFEDSA-N 2 0 267.376 2.893 20 0 CFADRP C[NH2+]Cc1cccc(-c2ccc(C[NH+](C)C)cn2)c1 ZINC001242996428 781910882 /nfs/dbraw/zinc/91/08/82/781910882.db2.gz LNXQNMSDWCJEQW-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP CN(CCSCc1ccccc1)CC(C)(C)[NH3+] ZINC000594735014 349483706 /nfs/dbraw/zinc/48/37/06/349483706.db2.gz HHPRKAGTFSQFRG-UHFFFAOYSA-N 2 0 252.427 2.589 20 0 CFADRP C[NH+](C)CCN1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453087761 282099521 /nfs/dbraw/zinc/09/95/21/282099521.db2.gz QBIYOKYWEYVELA-SFHVURJKSA-N 2 0 293.499 2.571 20 0 CFADRP CCC(CC)(C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422796124 282120938 /nfs/dbraw/zinc/12/09/38/282120938.db2.gz IUAUHSBNJBYYSQ-AWEZNQCLSA-N 2 0 260.425 2.942 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)C1 ZINC000595014166 349550286 /nfs/dbraw/zinc/55/02/86/349550286.db2.gz LSYORLDETPVKRU-HUUCEWRRSA-N 2 0 298.471 2.676 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595006218 349545336 /nfs/dbraw/zinc/54/53/36/349545336.db2.gz HFKWAWKTYCCGMK-ZDUSSCGKSA-N 2 0 276.465 2.788 20 0 CFADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000595052054 349565418 /nfs/dbraw/zinc/56/54/18/349565418.db2.gz QJVPAENPNCXJRS-CABCVRRESA-N 2 0 298.471 2.676 20 0 CFADRP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000125382629 187182775 /nfs/dbraw/zinc/18/27/75/187182775.db2.gz ZATFFHDWGNYKND-BBWFWOEESA-N 2 0 288.435 2.741 20 0 CFADRP c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000096950582 185138439 /nfs/dbraw/zinc/13/84/39/185138439.db2.gz NLGDJMVTLQTUNH-KRWDZBQOSA-N 2 0 258.409 2.898 20 0 CFADRP C[NH2+]CC1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000430947978 290640502 /nfs/dbraw/zinc/64/05/02/290640502.db2.gz GPXFKDYUAZOTKZ-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CSCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509172 349646659 /nfs/dbraw/zinc/64/66/59/349646659.db2.gz CZFSDMBHQJZRKH-UHFFFAOYSA-N 2 0 278.465 2.994 20 0 CFADRP CCC(CC)[N@H+](CCOC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300146122 282184409 /nfs/dbraw/zinc/18/44/09/282184409.db2.gz WJTAGFOGLYEOCF-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC(F)(F)F ZINC000423179245 529494569 /nfs/dbraw/zinc/49/45/69/529494569.db2.gz JKCDFJHXPZYYJJ-HBNTYKKESA-N 2 0 252.324 2.695 20 0 CFADRP CC[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Oc1ccccc1Cl ZINC000422838001 529494803 /nfs/dbraw/zinc/49/48/03/529494803.db2.gz NMGOOUWVIAHYTJ-AAEUAGOBSA-N 2 0 282.815 2.695 20 0 CFADRP Cc1[nH+]ccc(N2CCC([NH+](C)C)CC2)c1Cl ZINC000335971734 282185186 /nfs/dbraw/zinc/18/51/86/282185186.db2.gz HCDWZCVIYHDTBT-UHFFFAOYSA-N 2 0 253.777 2.574 20 0 CFADRP Cc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1F ZINC000070183473 346907367 /nfs/dbraw/zinc/90/73/67/346907367.db2.gz AXBBVNINRFNQPF-UHFFFAOYSA-N 2 0 250.361 2.695 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015716 529545965 /nfs/dbraw/zinc/54/59/65/529545965.db2.gz ZARXFHGHZFLLOL-OKZBNKHCSA-N 2 0 272.436 2.985 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414905878 529567897 /nfs/dbraw/zinc/56/78/97/529567897.db2.gz PCBIAXCNPUZIID-UHFFFAOYSA-N 2 0 276.424 2.737 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735606 529590477 /nfs/dbraw/zinc/59/04/77/529590477.db2.gz FTVGVXMVBCNTJT-PMPSAXMXSA-N 2 0 290.455 2.818 20 0 CFADRP CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000423298769 529594133 /nfs/dbraw/zinc/59/41/33/529594133.db2.gz AHLQQULFLZKEPJ-ZDUSSCGKSA-N 2 0 270.323 2.548 20 0 CFADRP CC[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000423168407 529583217 /nfs/dbraw/zinc/58/32/17/529583217.db2.gz HFKYGJVEAFGRPJ-TYUFSLCMSA-N 2 0 260.372 2.931 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C(=O)OC)cc1 ZINC000423230616 529583983 /nfs/dbraw/zinc/58/39/83/529583983.db2.gz JSHMPKOHQURYEV-GPANFISMSA-N 2 0 290.407 2.784 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@@H]1C ZINC000414071961 529584706 /nfs/dbraw/zinc/58/47/06/529584706.db2.gz MGZOSEJDOKIBIC-MAZHCROVSA-N 2 0 250.430 2.885 20 0 CFADRP CC[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@@H]1CCC[NH2+]1 ZINC000422839168 529606245 /nfs/dbraw/zinc/60/62/45/529606245.db2.gz PRQJSGHDCNFNON-HOTGVXAUSA-N 2 0 289.398 2.970 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(OC(F)F)cc1 ZINC000423296284 529610439 /nfs/dbraw/zinc/61/04/39/529610439.db2.gz GLHGBCFXUBVCBB-GWCFXTLKSA-N 2 0 272.339 2.924 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422838094 529621006 /nfs/dbraw/zinc/62/10/06/529621006.db2.gz WCMSZRTYCRJSJP-NJAFHUGGSA-N 2 0 287.451 2.633 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423473809 529623221 /nfs/dbraw/zinc/62/32/21/529623221.db2.gz OGFMFKJATKYBGC-GUTXKFCHSA-N 2 0 261.413 2.812 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000071107447 346920302 /nfs/dbraw/zinc/92/03/02/346920302.db2.gz SILQWAMSLZNMDS-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CC1(C)C ZINC000414083029 529617810 /nfs/dbraw/zinc/61/78/10/529617810.db2.gz VPPQIFIDYXNGJH-BBWFWOEESA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422881523 529618952 /nfs/dbraw/zinc/61/89/52/529618952.db2.gz YURJXIGRGRIVPU-DKIMLUQUSA-N 2 0 290.451 2.661 20 0 CFADRP CC[C@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000422733390 529619561 /nfs/dbraw/zinc/61/95/61/529619561.db2.gz QXTQOQKTKVSPCK-YESZJQIVSA-N 2 0 293.430 2.549 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000071146636 346921011 /nfs/dbraw/zinc/92/10/11/346921011.db2.gz HARCWVWXTYGJLO-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1C ZINC000414104120 529633670 /nfs/dbraw/zinc/63/36/70/529633670.db2.gz NWEZQLHRQHPAAV-BMFZPTHFSA-N 2 0 291.439 2.546 20 0 CFADRP c1cc(CSCC2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000596070625 349786466 /nfs/dbraw/zinc/78/64/66/349786466.db2.gz HDXIVQFZLGVTLU-UHFFFAOYSA-N 2 0 276.449 2.565 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(F)c1 ZINC000423507441 529660326 /nfs/dbraw/zinc/66/03/26/529660326.db2.gz MRSGFJLCESUDJY-DFBGVHRSSA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[NH+]1CCCCC1 ZINC000126587946 187249901 /nfs/dbraw/zinc/24/99/01/187249901.db2.gz ZHKVYJBOFMMKFN-OAHLLOKOSA-N 2 0 276.424 2.789 20 0 CFADRP C[NH+](C)[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000422890469 282249467 /nfs/dbraw/zinc/24/94/67/282249467.db2.gz IHWUKIRMQATFHD-YESZJQIVSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCN(C)C1CCCC1 ZINC000126729296 187258909 /nfs/dbraw/zinc/25/89/09/187258909.db2.gz IYJBYPAKUDDIQA-AWEZNQCLSA-N 2 0 276.424 2.787 20 0 CFADRP C[C@H](C[NH2+][C@H](C)Cc1ccc(O)cc1)C[NH+]1CCCC1 ZINC000126725921 187257740 /nfs/dbraw/zinc/25/77/40/187257740.db2.gz AGAQOFAHJVXDKA-HUUCEWRRSA-N 2 0 276.424 2.645 20 0 CFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422786933 282263856 /nfs/dbraw/zinc/26/38/56/282263856.db2.gz PIHOBBLTTNPUSN-NBHSMZAVSA-N 2 0 298.434 2.702 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)OC ZINC000358339663 282273314 /nfs/dbraw/zinc/27/33/14/282273314.db2.gz JNEXRILGUGGUTG-BMFZPTHFSA-N 2 0 270.461 2.758 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])OC ZINC000422991489 282273367 /nfs/dbraw/zinc/27/33/67/282273367.db2.gz BGBMPKOJEPKKMN-ZNMIVQPWSA-N 2 0 256.434 2.545 20 0 CFADRP CCc1ccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000422731207 529723650 /nfs/dbraw/zinc/72/36/50/529723650.db2.gz NCZPTKYBLPJTTH-QAPCUYQASA-N 2 0 291.483 2.959 20 0 CFADRP CCc1nc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cs1 ZINC000422905543 529735203 /nfs/dbraw/zinc/73/52/03/529735203.db2.gz SJKSPCPWACNUHA-CABCVRRESA-N 2 0 287.432 2.982 20 0 CFADRP CCc1nc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])cs1 ZINC000422718466 529745141 /nfs/dbraw/zinc/74/51/41/529745141.db2.gz XIOKZNFTWBRARD-WDEREUQCSA-N 2 0 255.431 2.874 20 0 CFADRP CCc1nc([C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)cs1 ZINC000422701676 529745182 /nfs/dbraw/zinc/74/51/82/529745182.db2.gz CGHLOCPZQICBFO-VOMCLLRMSA-N 2 0 267.442 2.874 20 0 CFADRP CCc1nc2cc(C[NH2+][C@H](C)C3C[NH2+]C3)ccc2n1C1CC1 ZINC000423107851 529747986 /nfs/dbraw/zinc/74/79/86/529747986.db2.gz FLMAMAPSAZICFY-GFCCVEGCSA-N 2 0 298.434 2.631 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Br)cs1 ZINC000129280426 539347936 /nfs/dbraw/zinc/34/79/36/539347936.db2.gz QBZINGDRBJDAGS-LLVKDONJSA-N 2 0 291.258 2.974 20 0 CFADRP C[N@H+](CCC[NH3+])CCCc1cc(-c2ccccc2)no1 ZINC000414693682 529886182 /nfs/dbraw/zinc/88/61/82/529886182.db2.gz MWEZYDJXSNFRMX-UHFFFAOYSA-N 2 0 273.380 2.555 20 0 CFADRP CN(CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1F ZINC000422717702 529891727 /nfs/dbraw/zinc/89/17/27/529891727.db2.gz OYRBWKNOQAYBGK-HZPDHXFCSA-N 2 0 293.430 2.902 20 0 CFADRP C[N@H+](CCN[C@@H]1CCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000422701506 529918074 /nfs/dbraw/zinc/91/80/74/529918074.db2.gz ISSFJSZJENXGAA-JKSUJKDBSA-N 2 0 267.461 2.501 20 0 CFADRP C[NH2+]CCC[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000414858269 529970874 /nfs/dbraw/zinc/97/08/74/529970874.db2.gz IQBVNIIDLBPNGV-UHFFFAOYSA-N 2 0 276.424 2.921 20 0 CFADRP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000414768135 529990059 /nfs/dbraw/zinc/99/00/59/529990059.db2.gz HHKSODFMTIHPLP-UHFFFAOYSA-N 2 0 288.313 2.549 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414846707 529985790 /nfs/dbraw/zinc/98/57/90/529985790.db2.gz UXQRIPAFIPLDIS-OLZOCXBDSA-N 2 0 252.377 2.592 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414844435 529998637 /nfs/dbraw/zinc/99/86/37/529998637.db2.gz RIBMQNAOELFFPM-VIFPVBQESA-N 2 0 289.192 2.533 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414848404 529998862 /nfs/dbraw/zinc/99/88/62/529998862.db2.gz WXKGODXMTQCBSW-RYUDHWBXSA-N 2 0 254.805 2.716 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000414848363 529999472 /nfs/dbraw/zinc/99/94/72/529999472.db2.gz WUTGKWMWZFPTDM-NWDGAFQWSA-N 2 0 297.830 2.502 20 0 CFADRP C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)C1CC[NH+](C)CC1 ZINC000324716720 539420069 /nfs/dbraw/zinc/42/00/69/539420069.db2.gz XNPFFXITEUDCQX-MLGOLLRUSA-N 2 0 250.430 2.885 20 0 CFADRP COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000122093063 539449291 /nfs/dbraw/zinc/44/92/91/539449291.db2.gz YXSXNFRCDFPRSG-OLZOCXBDSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130137897 539498340 /nfs/dbraw/zinc/49/83/40/539498340.db2.gz KHRGGOOREVAZRH-BPLDGKMQSA-N 2 0 264.438 2.896 20 0 CFADRP CCC(CC)[N@H+](CCOC)Cc1cccc2c1CC[NH2+]C2 ZINC000123942812 539513121 /nfs/dbraw/zinc/51/31/21/539513121.db2.gz VBQTUAXWUBSARW-UHFFFAOYSA-N 2 0 290.451 2.969 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000090015157 539520817 /nfs/dbraw/zinc/52/08/17/539520817.db2.gz OBSHRKKMYOOOHB-OAHLLOKOSA-N 2 0 260.425 2.857 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C[C@H]1OC ZINC000423336186 282452514 /nfs/dbraw/zinc/45/25/14/282452514.db2.gz JOTJGJDVDBMYIO-RBSFLKMASA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000127598942 187318633 /nfs/dbraw/zinc/31/86/33/187318633.db2.gz ZAKZFPVQZVVKCF-HNNXBMFYSA-N 2 0 294.414 2.631 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649012 346332534 /nfs/dbraw/zinc/33/25/34/346332534.db2.gz FPPXGVLAMZQDPG-ZBFHGGJFSA-N 2 0 288.435 2.700 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)CCC[NH2+]1 ZINC000423411584 293294498 /nfs/dbraw/zinc/29/44/98/293294498.db2.gz GAUKXGLFCDTLFZ-BZUAXINKSA-N 2 0 268.445 2.559 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000075766785 347097759 /nfs/dbraw/zinc/09/77/59/347097759.db2.gz OOWWZEMGVYOTHD-ZHALLVOQSA-N 2 0 299.462 2.669 20 0 CFADRP CSCC1(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000596652424 349969706 /nfs/dbraw/zinc/96/97/06/349969706.db2.gz UHBNJBFATZONPW-QWHCGFSZSA-N 2 0 256.459 2.769 20 0 CFADRP CCSC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000596649629 349968856 /nfs/dbraw/zinc/96/88/56/349968856.db2.gz DEEWQIQMIUZNBB-ZFWWWQNUSA-N 2 0 278.465 2.820 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc(F)c(Cl)c1 ZINC000053157906 346539875 /nfs/dbraw/zinc/53/98/75/346539875.db2.gz BCPUJIWYUBYIRF-KOLCDFICSA-N 2 0 256.752 2.791 20 0 CFADRP C[NH+](C)CCC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000056525040 346611020 /nfs/dbraw/zinc/61/10/20/346611020.db2.gz WDENHGCNRJIMKI-UHFFFAOYSA-N 2 0 294.414 2.868 20 0 CFADRP CC1(C)Cc2cccc(C[NH+]3CCC(CC[NH3+])CC3)c2O1 ZINC000080510090 539557140 /nfs/dbraw/zinc/55/71/40/539557140.db2.gz BFRMADYMWLCAHZ-UHFFFAOYSA-N 2 0 288.435 2.961 20 0 CFADRP CCC1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000422721136 282541406 /nfs/dbraw/zinc/54/14/06/282541406.db2.gz URHPKMJOORWIRG-NVDSNGLKSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC(O)CC3)CC2)C1 ZINC000090800697 347557407 /nfs/dbraw/zinc/55/74/07/347557407.db2.gz DKSDNHOWSWRKFO-JYDDWQFKSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COc2ccccc21 ZINC000090844824 347558522 /nfs/dbraw/zinc/55/85/22/347558522.db2.gz DCDLIDALDJUNGD-KLZNWCGWSA-N 2 0 286.419 2.768 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000092565403 347632206 /nfs/dbraw/zinc/63/22/06/347632206.db2.gz DTXBMWHPHMWYEP-IXDOHACOSA-N 2 0 282.472 2.639 20 0 CFADRP CC[C@@H](C)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000093066996 347660566 /nfs/dbraw/zinc/66/05/66/347660566.db2.gz GETGPMJFQGDQTJ-AEFFLSMTSA-N 2 0 289.467 2.611 20 0 CFADRP Cc1ccoc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735135 347682148 /nfs/dbraw/zinc/68/21/48/347682148.db2.gz WKKPPHIATZGRBT-UHFFFAOYSA-N 2 0 292.423 2.665 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000093214616 347665697 /nfs/dbraw/zinc/66/56/97/347665697.db2.gz PDPLMMYWYAJTEG-CVEARBPZSA-N 2 0 262.397 2.583 20 0 CFADRP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112119945 347758271 /nfs/dbraw/zinc/75/82/71/347758271.db2.gz DGHPKHVXHGXVAW-UHFFFAOYSA-N 2 0 267.376 2.712 20 0 CFADRP C[NH+]1CCC(N2CCC([NH2+]C3CCCCCC3)CC2)CC1 ZINC000126051032 347831781 /nfs/dbraw/zinc/83/17/81/347831781.db2.gz DBMDOJJKHKHZBX-UHFFFAOYSA-N 2 0 293.499 2.857 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000116387101 347786624 /nfs/dbraw/zinc/78/66/24/347786624.db2.gz ZRWCXVNCMYUCPK-IAGOWNOFSA-N 2 0 260.425 2.939 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CO2 ZINC000090452798 539574297 /nfs/dbraw/zinc/57/42/97/539574297.db2.gz YDMSSGMEBYXCBI-BBRMVZONSA-N 2 0 274.408 2.748 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000126703684 347836281 /nfs/dbraw/zinc/83/62/81/347836281.db2.gz MFSJICSBHNCAOI-HOCLYGCPSA-N 2 0 276.424 2.643 20 0 CFADRP C[C@@H]1SCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1C ZINC000133008561 347888258 /nfs/dbraw/zinc/88/82/58/347888258.db2.gz ZNYINBAQVDGDQJ-STQMWFEESA-N 2 0 276.449 2.658 20 0 CFADRP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000134046081 347895476 /nfs/dbraw/zinc/89/54/76/347895476.db2.gz ISLYALBJRPLWSZ-NVXWUHKLSA-N 2 0 260.425 2.797 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000668583334 539596261 /nfs/dbraw/zinc/59/62/61/539596261.db2.gz DYIAKMBHVIHGLN-RHSMWYFYSA-N 2 0 289.423 2.598 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000154774107 347982499 /nfs/dbraw/zinc/98/24/99/347982499.db2.gz ZIUFMIWICOIBCV-HIFRSBDPSA-N 2 0 270.486 2.982 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171306167 348074424 /nfs/dbraw/zinc/07/44/24/348074424.db2.gz BHSDFNIOYJMJHS-HOTGVXAUSA-N 2 0 282.472 2.854 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222881333 348173940 /nfs/dbraw/zinc/17/39/40/348173940.db2.gz SDPKWVZVNKPADT-KZNAEPCWSA-N 2 0 289.467 2.929 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000234697686 348222256 /nfs/dbraw/zinc/22/22/56/348222256.db2.gz XPJQFAFHNWFZGP-CABCVRRESA-N 2 0 294.439 2.878 20 0 CFADRP COc1cccc2c1ccnc2NC[C@H]1CCC[N@H+](C)C1 ZINC000235035318 348224370 /nfs/dbraw/zinc/22/43/70/348224370.db2.gz DITCBVMFQCEDRY-CYBMUJFWSA-N 2 0 285.391 2.997 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000229644701 348202471 /nfs/dbraw/zinc/20/24/71/348202471.db2.gz RYFWJHDUJCPJRM-UHFFFAOYSA-N 2 0 257.381 2.599 20 0 CFADRP CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000273343567 192120053 /nfs/dbraw/zinc/12/00/53/192120053.db2.gz AACSCKRRSUVORI-MRXNPFEDSA-N 2 0 259.397 2.774 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000248725156 348276457 /nfs/dbraw/zinc/27/64/57/348276457.db2.gz UNGREFLYCRHBRL-BLLLJJGKSA-N 2 0 282.378 2.827 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000249969796 348285383 /nfs/dbraw/zinc/28/53/83/348285383.db2.gz XMYGSJPQKUURCV-SJORKVTESA-N 2 0 282.472 2.857 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000251109550 348290849 /nfs/dbraw/zinc/29/08/49/348290849.db2.gz OUDWXVDBDAPBTI-IPYPFGDCSA-N 2 0 250.386 2.708 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000251237034 348291398 /nfs/dbraw/zinc/29/13/98/348291398.db2.gz CPMBRFSTKQSSKQ-KWCYVHTRSA-N 2 0 252.427 2.786 20 0 CFADRP COC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(C)C ZINC000251264791 348291405 /nfs/dbraw/zinc/29/14/05/348291405.db2.gz ALVRZTXSWGSFKY-KFWWJZLASA-N 2 0 256.434 2.558 20 0 CFADRP Cc1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000257712316 348306605 /nfs/dbraw/zinc/30/66/05/348306605.db2.gz TXHZDRCYPITOJT-QGZVFWFLSA-N 2 0 258.409 2.613 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](CC3(C)CCC3)C2)CC1 ZINC000349188172 539614720 /nfs/dbraw/zinc/61/47/20/539614720.db2.gz LGNOOSPXVWMUCI-HNNXBMFYSA-N 2 0 250.430 2.840 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000316471205 348432131 /nfs/dbraw/zinc/43/21/31/348432131.db2.gz QUCDDFYZVCOQPW-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP C[C@H](c1cccc2ccccc21)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337194 348422546 /nfs/dbraw/zinc/42/25/46/348422546.db2.gz AQNHHOFCLOLFDE-ZBFHGGJFSA-N 2 0 284.403 2.950 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](CNCc2cnc(C(C)(C)C)nc2)C1 ZINC000314312393 348425810 /nfs/dbraw/zinc/42/58/10/348425810.db2.gz JQSJTOZKMNENGF-CQSZACIVSA-N 2 0 290.455 2.594 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)[C@@H]2CCC[C@H]21 ZINC000453405144 290219878 /nfs/dbraw/zinc/21/98/78/290219878.db2.gz DXRUTJFEAVOPLG-FXUDXRNXSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)CSCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000397435902 348561332 /nfs/dbraw/zinc/56/13/32/348561332.db2.gz GNYKKOOVAFSCRF-ZDUSSCGKSA-N 2 0 258.475 2.696 20 0 CFADRP CSC[C@H]1CCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000400035079 348570934 /nfs/dbraw/zinc/57/09/34/348570934.db2.gz JFIKVKNGQFTRNT-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401025265 348576207 /nfs/dbraw/zinc/57/62/07/348576207.db2.gz NFWAFJJHKFEXMH-TUVASFSCSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000091937398 539670696 /nfs/dbraw/zinc/67/06/96/539670696.db2.gz CIIKPNIOKLIQRK-GJZGRUSLSA-N 2 0 276.424 3.000 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2[nH]nc3ccccc32)c1 ZINC000589638809 348845659 /nfs/dbraw/zinc/84/56/59/348845659.db2.gz FLWJHXSEDJGKOL-UHFFFAOYSA-N 2 0 294.402 2.914 20 0 CFADRP COC1(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCCCC1 ZINC000319531661 539681228 /nfs/dbraw/zinc/68/12/28/539681228.db2.gz AMXMSJIPSKMXLG-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CCc2cccc(Cl)c2C1)C[NH+](C)C ZINC000666139707 539683779 /nfs/dbraw/zinc/68/37/79/539683779.db2.gz ZBKPPSMIOTUMMK-JSGCOSHPSA-N 2 0 280.843 2.985 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397395252 539696156 /nfs/dbraw/zinc/69/61/56/539696156.db2.gz GCMLFBIBGHWHTI-YQFWSFKMSA-N 2 0 276.424 2.679 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000089150617 179726063 /nfs/dbraw/zinc/72/60/63/179726063.db2.gz YKFYSRMGJKGVDE-WCQYABFASA-N 2 0 272.314 2.922 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1cccs1 ZINC000564825434 290237063 /nfs/dbraw/zinc/23/70/63/290237063.db2.gz HAWOHHNDGHBXLG-GXTWGEPZSA-N 2 0 252.427 2.658 20 0 CFADRP CS[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592524006 349133521 /nfs/dbraw/zinc/13/35/21/349133521.db2.gz BZQWYCGZAUOHBY-QZWWFDLISA-N 2 0 290.476 2.815 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592524008 349133813 /nfs/dbraw/zinc/13/38/13/349133813.db2.gz BZQWYCGZAUOHBY-YYIAUSFCSA-N 2 0 290.476 2.815 20 0 CFADRP CCSCC[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592525013 349133868 /nfs/dbraw/zinc/13/38/68/349133868.db2.gz KQTYQZXZSPDBEV-CVEARBPZSA-N 2 0 278.465 2.675 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Oc1ccccc1F ZINC000127630054 539725445 /nfs/dbraw/zinc/72/54/45/539725445.db2.gz MBZIUDLBURTIOV-ZIAGYGMSSA-N 2 0 294.414 2.913 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(C)(C)C3CC3)C2)CC1 ZINC000593958641 349340048 /nfs/dbraw/zinc/34/00/48/349340048.db2.gz LPAJLICMXPTZEN-QGZVFWFLSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000305773079 539740910 /nfs/dbraw/zinc/74/09/10/539740910.db2.gz VVFNGZZIHYWWEO-USXIJHARSA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+](C)Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000414502410 233274919 /nfs/dbraw/zinc/27/49/19/233274919.db2.gz UKZPEVIPQVGUJK-CABCVRRESA-N 2 0 291.414 2.926 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000090721084 180031169 /nfs/dbraw/zinc/03/11/69/180031169.db2.gz KDSXIAFGSZPVMX-UKRRQHHQSA-N 2 0 262.397 2.658 20 0 CFADRP FC1(F)CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000398178010 539762318 /nfs/dbraw/zinc/76/23/18/539762318.db2.gz JHXWVMHVYWXUJB-CQSZACIVSA-N 2 0 281.350 2.828 20 0 CFADRP C[N@H+](CCCO)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726339 186019684 /nfs/dbraw/zinc/01/96/84/186019684.db2.gz BARGCMYJLAQROX-UHFFFAOYSA-N 2 0 290.451 2.603 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@H]21 ZINC000414659713 233317531 /nfs/dbraw/zinc/31/75/31/233317531.db2.gz LMROOGBKFALDJU-NNPSNHGLSA-N 2 0 270.420 2.849 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2cccn2C)CC[NH2+]1 ZINC000414674236 233322362 /nfs/dbraw/zinc/32/23/62/233322362.db2.gz DKGWYTVNVBBOLG-FMKPAKJESA-N 2 0 261.413 2.550 20 0 CFADRP Cc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1Br ZINC000091472036 180165661 /nfs/dbraw/zinc/16/56/61/180165661.db2.gz XMQZOUNCXFPNJP-UHFFFAOYSA-N 2 0 297.240 2.928 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CC[NH2+]1 ZINC000414692930 233329028 /nfs/dbraw/zinc/32/90/28/233329028.db2.gz MHJOBZMBPFPQER-CKEIUWERSA-N 2 0 292.398 2.587 20 0 CFADRP [NH3+]CCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000414706780 233334727 /nfs/dbraw/zinc/33/47/27/233334727.db2.gz HHYONXALIUJRDF-LBPRGKRZSA-N 2 0 272.314 2.844 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1C ZINC000414794838 233355085 /nfs/dbraw/zinc/35/50/85/233355085.db2.gz MGOXJJHVTMRPGI-ZFWWWQNUSA-N 2 0 291.439 2.593 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414798330 233356067 /nfs/dbraw/zinc/35/60/67/233356067.db2.gz QENBFEJFZQMUDU-QZTJIDSGSA-N 2 0 281.403 2.966 20 0 CFADRP [NH3+]CCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000414754756 233343747 /nfs/dbraw/zinc/34/37/47/233343747.db2.gz ODDZNTURLLEMCF-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1CCC2 ZINC000414782306 233349728 /nfs/dbraw/zinc/34/97/28/233349728.db2.gz OJNGGKVPXCJXCQ-RBUKOAKNSA-N 2 0 284.447 2.997 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414794207 233353114 /nfs/dbraw/zinc/35/31/14/233353114.db2.gz FJVRBHREXUFECK-GXFFZTMASA-N 2 0 272.314 2.711 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000414845221 233376381 /nfs/dbraw/zinc/37/63/81/233376381.db2.gz LVROFZRJSGIVTN-ZACQAIPSSA-N 2 0 258.409 2.838 20 0 CFADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH3+])c(Cl)c1 ZINC000414810971 233361269 /nfs/dbraw/zinc/36/12/69/233361269.db2.gz YSTGEZLWQCXALK-LLVKDONJSA-N 2 0 297.830 2.692 20 0 CFADRP CCc1noc(C2CCC([NH2+]CC([NH3+])(CC)CC)CC2)n1 ZINC000414814285 233363701 /nfs/dbraw/zinc/36/37/01/233363701.db2.gz VDQRRCLEVUJHDV-UHFFFAOYSA-N 2 0 294.443 2.765 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000414823384 233367181 /nfs/dbraw/zinc/36/71/81/233367181.db2.gz DDGYGDDKIARFRU-DTRQGZQOSA-N 2 0 266.335 2.567 20 0 CFADRP c1nc(-c2ccccc2)sc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826129 233368717 /nfs/dbraw/zinc/36/87/17/233368717.db2.gz IORZMTFAZZGDRQ-CYBMUJFWSA-N 2 0 287.432 2.899 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414829934 233369640 /nfs/dbraw/zinc/36/96/40/233369640.db2.gz LJRZFEGSNJLUSL-ZDUSSCGKSA-N 2 0 258.365 2.830 20 0 CFADRP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(-c2ccncc2)c1 ZINC000414828778 233369757 /nfs/dbraw/zinc/36/97/57/233369757.db2.gz MTIVEGNZLXPWQL-MRXNPFEDSA-N 2 0 281.403 2.838 20 0 CFADRP c1ccc(-c2cccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)c2)nc1 ZINC000414831761 233370354 /nfs/dbraw/zinc/37/03/54/233370354.db2.gz NVDMBIDVIRXRLI-HNNXBMFYSA-N 2 0 281.403 2.838 20 0 CFADRP COc1cccc(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000105454931 186058222 /nfs/dbraw/zinc/05/82/22/186058222.db2.gz XKKLZSJDIGLIIW-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP c1ccc(OCCCC[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414837474 233373031 /nfs/dbraw/zinc/37/30/31/233373031.db2.gz KDRCSAPIPOCANY-MRXNPFEDSA-N 2 0 276.424 2.825 20 0 CFADRP Fc1ccc(/C=C\C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000414846334 233375712 /nfs/dbraw/zinc/37/57/12/233375712.db2.gz GWCVFLOGUNMIEU-PEXHTFQZSA-N 2 0 262.372 2.818 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414872240 233384847 /nfs/dbraw/zinc/38/48/47/233384847.db2.gz FLBSNJYYDLJJJZ-CYBMUJFWSA-N 2 0 262.397 2.692 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000414881667 233388526 /nfs/dbraw/zinc/38/85/26/233388526.db2.gz SNBMWKHCZHHYMP-CVEARBPZSA-N 2 0 258.409 2.869 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CC1([NH3+])CCC1 ZINC000414879496 233388562 /nfs/dbraw/zinc/38/85/62/233388562.db2.gz PPLPUPZJDNFQTH-GFCCVEGCSA-N 2 0 250.361 2.618 20 0 CFADRP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)C1CC1 ZINC000414885860 233389604 /nfs/dbraw/zinc/38/96/04/233389604.db2.gz GUBLJORGMGPZCN-XHSDSOJGSA-N 2 0 262.372 2.789 20 0 CFADRP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)CC[NH3+] ZINC000414885105 233389781 /nfs/dbraw/zinc/38/97/81/233389781.db2.gz BOBCWIZFSJHNKC-WDEREUQCSA-N 2 0 285.229 2.707 20 0 CFADRP C[C@H](C[NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(Br)c1 ZINC000414892395 233390871 /nfs/dbraw/zinc/39/08/71/233390871.db2.gz PPIJLLZJGABJNS-QMTHXVAHSA-N 2 0 297.240 2.880 20 0 CFADRP c1ccc(OCCCC[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414902879 233393434 /nfs/dbraw/zinc/39/34/34/233393434.db2.gz ISULZUGLGQNUTO-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP C[C@@]1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CCC[NH2+]C1 ZINC000414904239 233394464 /nfs/dbraw/zinc/39/44/64/233394464.db2.gz NFFHNHJKRZYEMU-OAHLLOKOSA-N 2 0 290.436 2.618 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414908468 233396246 /nfs/dbraw/zinc/39/62/46/233396246.db2.gz BKXIXJPBXJYAEV-HZPDHXFCSA-N 2 0 284.407 2.540 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCC[NH2+]C1 ZINC000414913867 233397011 /nfs/dbraw/zinc/39/70/11/233397011.db2.gz XIPKRJABACNZQQ-CQSZACIVSA-N 2 0 270.779 2.958 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000414851915 233378177 /nfs/dbraw/zinc/37/81/77/233378177.db2.gz JNOPDTXVIHWEID-KSZLIROESA-N 2 0 272.436 2.987 20 0 CFADRP COCC1(C[NH2+][C@H](C)C2CCCCC2)CC[NH2+]CC1 ZINC000414968980 233420191 /nfs/dbraw/zinc/42/01/91/233420191.db2.gz GFSITCZWTMUYDG-CQSZACIVSA-N 2 0 268.445 2.561 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)C1 ZINC000414921789 233399610 /nfs/dbraw/zinc/39/96/10/233399610.db2.gz FWFRQHISZASWKG-VXGBXAGGSA-N 2 0 270.323 2.648 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414919908 233399929 /nfs/dbraw/zinc/39/99/29/233399929.db2.gz WBDRNPRIERYIMM-MRVWCRGKSA-N 2 0 250.361 2.616 20 0 CFADRP CSC1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC[NH+](C)CC1 ZINC000598973721 350352059 /nfs/dbraw/zinc/35/20/59/350352059.db2.gz IHTJPOOQAXDVHS-QEJZJMRPSA-N 2 0 282.497 2.838 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000414990660 233427237 /nfs/dbraw/zinc/42/72/37/233427237.db2.gz IUUCJGLEXQITMQ-YPMHNXCESA-N 2 0 252.789 2.947 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000415028042 233441024 /nfs/dbraw/zinc/44/10/24/233441024.db2.gz BYAYRNMDMYMQQR-NEPJUHHUSA-N 2 0 288.313 2.802 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000415029589 233442207 /nfs/dbraw/zinc/44/22/07/233442207.db2.gz DYMGNSXZQKYPLC-ONGXEEELSA-N 2 0 256.752 2.696 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)N(CCC[NH3+])c1cccc(F)c1 ZINC000415113184 233469934 /nfs/dbraw/zinc/46/99/34/233469934.db2.gz DRZWHGHADMDBKG-UKRRQHHQSA-N 2 0 279.403 2.512 20 0 CFADRP CC(C)OC(=O)C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000600176373 350532040 /nfs/dbraw/zinc/53/20/40/350532040.db2.gz LTDRXADFIOIODW-LSDHHAIUSA-N 2 0 298.471 2.815 20 0 CFADRP CCOc1ccc(OCC[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000110649132 186310118 /nfs/dbraw/zinc/31/01/18/186310118.db2.gz ZDMVJXIFGXJSPQ-AWEZNQCLSA-N 2 0 292.423 2.523 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000110920459 186332839 /nfs/dbraw/zinc/33/28/39/186332839.db2.gz JVSYBMPBQBVJLR-JTQLQIEISA-N 2 0 254.324 2.524 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@@H]1CCCOC1)C1CCCCC1 ZINC000111320227 186396819 /nfs/dbraw/zinc/39/68/19/186396819.db2.gz SZFGHIHEQABRQJ-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000111612057 186431984 /nfs/dbraw/zinc/43/19/84/186431984.db2.gz ZHRKOVXKBIBZTI-CYBMUJFWSA-N 2 0 269.392 2.794 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](CC2(SC)CC2)CC1 ZINC000602738526 351009008 /nfs/dbraw/zinc/00/90/08/351009008.db2.gz MBKMHMXRVBDBRA-UHFFFAOYSA-N 2 0 256.459 2.688 20 0 CFADRP CC(C)SCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846220 351044348 /nfs/dbraw/zinc/04/43/48/351044348.db2.gz DBJBFIGBSAEOAJ-UHFFFAOYSA-N 2 0 279.453 2.735 20 0 CFADRP CSCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603696954 351178233 /nfs/dbraw/zinc/17/82/33/351178233.db2.gz LOZMFCBJZFKCDA-UHFFFAOYSA-N 2 0 270.486 2.937 20 0 CFADRP CC[N@@H+]1CC[C@H](NCc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000608067447 351394510 /nfs/dbraw/zinc/39/45/10/351394510.db2.gz CLNWNDSEWKLKIZ-HOCLYGCPSA-N 2 0 276.424 2.824 20 0 CFADRP COc1cccc(CCC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000607729142 351356715 /nfs/dbraw/zinc/35/67/15/351356715.db2.gz PIIMKUZJRDKWCV-UHFFFAOYSA-N 2 0 290.451 2.901 20 0 CFADRP CCC(C)(C)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000608563633 351451421 /nfs/dbraw/zinc/45/14/21/351451421.db2.gz QIWRURCKKJRBGY-MRXNPFEDSA-N 2 0 281.488 2.525 20 0 CFADRP COCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291450007 198026274 /nfs/dbraw/zinc/02/62/74/198026274.db2.gz LUCHLJYGYHPDHI-UHFFFAOYSA-N 2 0 288.435 2.621 20 0 CFADRP CC(C)Oc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000291659124 198054184 /nfs/dbraw/zinc/05/41/84/198054184.db2.gz DTTRYTXMCSXBEP-AWEZNQCLSA-N 2 0 264.413 2.761 20 0 CFADRP C[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000291704709 198064632 /nfs/dbraw/zinc/06/46/32/198064632.db2.gz KNOPRPDLHISDKU-NSHDSACASA-N 2 0 274.330 2.993 20 0 CFADRP COC(C)(C)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000122214922 187021362 /nfs/dbraw/zinc/02/13/62/187021362.db2.gz LAGPBILUMBQSSX-AWEZNQCLSA-N 2 0 294.439 2.703 20 0 CFADRP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000227189780 539824478 /nfs/dbraw/zinc/82/44/78/539824478.db2.gz BDCXRPKESBLVNX-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000122636472 187042808 /nfs/dbraw/zinc/04/28/08/187042808.db2.gz RBNYGAJQIMRHPT-YOEHRIQHSA-N 2 0 276.424 2.653 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000122809276 187053316 /nfs/dbraw/zinc/05/33/16/187053316.db2.gz FPEQYGLJRWUNAE-MRXNPFEDSA-N 2 0 290.455 2.509 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000123638146 187102476 /nfs/dbraw/zinc/10/24/76/187102476.db2.gz FBFBTXYTOCDQRN-CMPLNLGQSA-N 2 0 272.314 2.875 20 0 CFADRP c1cc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2cn1 ZINC000232484496 539843971 /nfs/dbraw/zinc/84/39/71/539843971.db2.gz WNEIBWOCPBFCRQ-ZWKOTPCHSA-N 2 0 281.403 2.951 20 0 CFADRP c1ccc2c(c1)OCC[C@H]2C[NH2+]CCC[NH+]1CCCC1 ZINC000135425138 539857088 /nfs/dbraw/zinc/85/70/88/539857088.db2.gz CNWLFIIFLYFPCL-HNNXBMFYSA-N 2 0 274.408 2.628 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000226701742 539871229 /nfs/dbraw/zinc/87/12/29/539871229.db2.gz VAIBXIBAOJZJTJ-JFIYKMOQSA-N 2 0 295.515 2.817 20 0 CFADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340477391 282830167 /nfs/dbraw/zinc/83/01/67/282830167.db2.gz VVYOTMFOTNQXQB-INIZCTEOSA-N 2 0 290.455 2.653 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCOc3ccc(F)cc3)C2)C1 ZINC000292136774 198176644 /nfs/dbraw/zinc/17/66/44/198176644.db2.gz LXGSVEZLLIXBPO-KRWDZBQOSA-N 2 0 292.398 2.622 20 0 CFADRP COCC[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152721661 188038593 /nfs/dbraw/zinc/03/85/93/188038593.db2.gz ZJOVFQREBOCBHH-HUUCEWRRSA-N 2 0 294.439 2.703 20 0 CFADRP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)CC1CC[NH+](C)CC1 ZINC000154782654 188161793 /nfs/dbraw/zinc/16/17/93/188161793.db2.gz KOMWITHEFFJVFT-UHFFFAOYSA-N 2 0 298.434 2.646 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000154928061 188171014 /nfs/dbraw/zinc/17/10/14/188171014.db2.gz UVUUCODEQCOPDU-DOTOQJQBSA-N 2 0 289.467 2.590 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000620851225 353238925 /nfs/dbraw/zinc/23/89/25/353238925.db2.gz RRRATLIIKAOENF-UHFFFAOYSA-N 2 0 280.387 2.669 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)c1ccccc1 ZINC000156130492 188244614 /nfs/dbraw/zinc/24/46/14/188244614.db2.gz YKZIRCJKNAPMQB-BZUAXINKSA-N 2 0 275.440 2.584 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000156469063 188263904 /nfs/dbraw/zinc/26/39/04/188263904.db2.gz ZOSFMVXBYQOGAE-OAHLLOKOSA-N 2 0 299.418 2.873 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000234824800 539994099 /nfs/dbraw/zinc/99/40/99/539994099.db2.gz LGRAQOYUJXIKDC-GXTWGEPZSA-N 2 0 268.445 2.843 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000157226335 188303982 /nfs/dbraw/zinc/30/39/82/188303982.db2.gz ZNOFHMHAEWFLMQ-ZIAGYGMSSA-N 2 0 276.399 2.831 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000393951933 539997810 /nfs/dbraw/zinc/99/78/10/539997810.db2.gz SBLSMCQHDRKRCH-OCCSQVGLSA-N 2 0 252.427 2.753 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000393951931 539997855 /nfs/dbraw/zinc/99/78/55/539997855.db2.gz SBLSMCQHDRKRCH-JSGCOSHPSA-N 2 0 252.427 2.753 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2cnccc2c1 ZINC000235431570 539999748 /nfs/dbraw/zinc/99/97/48/539999748.db2.gz CFKYEZDXISZBON-CYBMUJFWSA-N 2 0 257.381 2.665 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCN(C)C2)ccc1SC ZINC000621562944 353378783 /nfs/dbraw/zinc/37/87/83/353378783.db2.gz ZDCGEJBQMVQAKN-CYBMUJFWSA-N 2 0 280.437 2.601 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000621776868 353422474 /nfs/dbraw/zinc/42/24/74/353422474.db2.gz YMMQPKFXRFHPPQ-QGZVFWFLSA-N 2 0 273.424 2.602 20 0 CFADRP Clc1cncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000621774915 353422578 /nfs/dbraw/zinc/42/25/78/353422578.db2.gz ADISVKIZCFJZQR-AWEZNQCLSA-N 2 0 279.815 2.557 20 0 CFADRP Clc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000621776804 353422661 /nfs/dbraw/zinc/42/26/61/353422661.db2.gz WSZYXSLMJONNGB-HNNXBMFYSA-N 2 0 293.842 2.947 20 0 CFADRP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCCc3ccccc31)C2 ZINC000621779882 353423485 /nfs/dbraw/zinc/42/34/85/353423485.db2.gz KLKKMJGVMHXVGF-PVAVHDDUSA-N 2 0 256.393 2.877 20 0 CFADRP Cc1cc(N2CCC([NH2+]CC3(C)CCC3)CC2)nc(C)n1 ZINC000434778364 540001799 /nfs/dbraw/zinc/00/17/99/540001799.db2.gz SMAIJKJUVHUXAU-UHFFFAOYSA-N 2 0 288.439 2.842 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000622003544 353464016 /nfs/dbraw/zinc/46/40/16/353464016.db2.gz BDAUKRLANXJENZ-QAETUUGQSA-N 2 0 256.393 2.603 20 0 CFADRP COc1nc(C)cc(C)c1C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000622005184 353464843 /nfs/dbraw/zinc/46/48/43/353464843.db2.gz ZWLOQYKRYXZYSH-ZFWWWQNUSA-N 2 0 291.439 2.527 20 0 CFADRP Cc1nc2ccccc2nc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000623051829 353582210 /nfs/dbraw/zinc/58/22/10/353582210.db2.gz XDISYUMWTJUBFE-UHFFFAOYSA-N 2 0 298.434 2.760 20 0 CFADRP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CCCCC1 ZINC000623359950 353624973 /nfs/dbraw/zinc/62/49/73/353624973.db2.gz KLLGKYAGLFUGBJ-IRXDYDNUSA-N 3 0 295.515 2.959 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC1(C)C ZINC000623383234 353631547 /nfs/dbraw/zinc/63/15/47/353631547.db2.gz JZHVPUDVUGFMJG-MRXNPFEDSA-N 2 0 298.434 2.835 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623401567 353634792 /nfs/dbraw/zinc/63/47/92/353634792.db2.gz DVJMRAIEKAUAPY-OAHLLOKOSA-N 2 0 275.440 2.715 20 0 CFADRP Cc1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)ccn1 ZINC000623421917 353640130 /nfs/dbraw/zinc/64/01/30/353640130.db2.gz BODSJAYVROYLCF-OAHLLOKOSA-N 2 0 263.429 2.846 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](CCO)c2ccccc2)CC1(C)C ZINC000623428201 353641339 /nfs/dbraw/zinc/64/13/39/353641339.db2.gz BTQXOVOGMWIFFZ-DLBZAZTESA-N 2 0 290.451 2.615 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623437682 353644960 /nfs/dbraw/zinc/64/49/60/353644960.db2.gz SYGROXHRJQMYPQ-GJZGRUSLSA-N 2 0 270.461 2.900 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623443208 353646725 /nfs/dbraw/zinc/64/67/25/353646725.db2.gz UDHABBXLRWSFGG-INIZCTEOSA-N 2 0 289.423 2.614 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)CC1(C)C ZINC000623445766 353647347 /nfs/dbraw/zinc/64/73/47/353647347.db2.gz CTBIJZYBDYCIHN-GXTWGEPZSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623469032 353650410 /nfs/dbraw/zinc/65/04/10/353650410.db2.gz NJYGVFQVQGRYRJ-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[NH+](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623338658 353617723 /nfs/dbraw/zinc/61/77/23/353617723.db2.gz LPBIATVJPDSRKS-HNNXBMFYSA-N 2 0 269.477 2.568 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)CC1(C)C ZINC000623338592 353617772 /nfs/dbraw/zinc/61/77/72/353617772.db2.gz HPUSPXHNHPAOSV-CQSZACIVSA-N 2 0 262.397 2.528 20 0 CFADRP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccsc1 ZINC000623347283 353620220 /nfs/dbraw/zinc/62/02/20/353620220.db2.gz WNSQRICGJCBDLG-CABCVRRESA-N 2 0 295.496 2.813 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)CC1(C)C ZINC000623494390 353656855 /nfs/dbraw/zinc/65/68/55/353656855.db2.gz OSUUPCXDYOFULT-YQQAZPJKSA-N 2 0 280.456 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H](NCC[NH+]2CCCC(C)(C)C2)CC1(C)C ZINC000623509133 353660478 /nfs/dbraw/zinc/66/04/78/353660478.db2.gz UJBQYDIECHKDCP-OAHLLOKOSA-N 2 0 281.488 2.571 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)CC1(C)C ZINC000623534270 353666067 /nfs/dbraw/zinc/66/60/67/353666067.db2.gz GKVJNYZWYJWPPH-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CC1(C)C ZINC000623544055 353668505 /nfs/dbraw/zinc/66/85/05/353668505.db2.gz KKULERALTAAPOD-KGLIPLIRSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1(C)C ZINC000623560309 353672199 /nfs/dbraw/zinc/67/21/99/353672199.db2.gz AZUBPQJNBOBJBK-ARFHVFGLSA-N 2 0 280.456 2.797 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)CC1(C)C ZINC000623569969 353674147 /nfs/dbraw/zinc/67/41/47/353674147.db2.gz CIJOWJUTXNUBES-CABCVRRESA-N 2 0 292.398 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1(C)C ZINC000623574775 353675854 /nfs/dbraw/zinc/67/58/54/353675854.db2.gz XBNHGQAROXXIBK-QMCVQRASSA-N 2 0 288.410 2.926 20 0 CFADRP COc1ccc(F)c(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623575715 353676477 /nfs/dbraw/zinc/67/64/77/353676477.db2.gz MPCOQKSNRPXEGX-CYBMUJFWSA-N 2 0 280.387 2.797 20 0 CFADRP C[N@@H+]1CCCC[C@@H](CNCc2cnn(-c3ccccc3)c2)C1 ZINC000623655687 353696885 /nfs/dbraw/zinc/69/68/85/353696885.db2.gz BWZUCBRWJYBNPO-INIZCTEOSA-N 2 0 298.434 2.694 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000623607503 353684114 /nfs/dbraw/zinc/68/41/14/353684114.db2.gz HXZLGLWQKGQSST-JYJNAYRXSA-N 2 0 286.419 2.515 20 0 CFADRP Cc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CO2 ZINC000623608546 353684905 /nfs/dbraw/zinc/68/49/05/353684905.db2.gz QCDMYZTYERFKAW-GJZGRUSLSA-N 2 0 288.435 2.761 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000623654579 353695570 /nfs/dbraw/zinc/69/55/70/353695570.db2.gz CWDPEKFBRPZSBZ-AWEZNQCLSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623657280 353697793 /nfs/dbraw/zinc/69/77/93/353697793.db2.gz MQSAAYQRLJAIIP-VRKREXBASA-N 2 0 250.430 2.743 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000623807725 353728539 /nfs/dbraw/zinc/72/85/39/353728539.db2.gz QGJRFCAUBLXFRS-HJWJTTGWSA-N 2 0 274.408 2.589 20 0 CFADRP Cc1cccc2c1C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CO2 ZINC000624072084 353798033 /nfs/dbraw/zinc/79/80/33/353798033.db2.gz TYDGWQKYWSXQDJ-GOEBONIOSA-N 2 0 288.435 2.618 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)nc1 ZINC000624113133 353809097 /nfs/dbraw/zinc/80/90/97/353809097.db2.gz YBMHTWWNZQLITR-HNNXBMFYSA-N 2 0 289.467 2.988 20 0 CFADRP CCOC1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624123600 353812827 /nfs/dbraw/zinc/81/28/27/353812827.db2.gz OWXLRNITYSNPSL-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP C/C=C\C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000624197765 353832283 /nfs/dbraw/zinc/83/22/83/353832283.db2.gz WLUPHABUBMVGGA-GEXIGZQTSA-N 2 0 262.397 2.854 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn[nH]c2)C1 ZINC000624214094 353836947 /nfs/dbraw/zinc/83/69/47/353836947.db2.gz PUARHYUNXKRAGG-OAHLLOKOSA-N 2 0 298.434 2.931 20 0 CFADRP CCO[C@H](C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC000625215083 353996636 /nfs/dbraw/zinc/99/66/36/353996636.db2.gz ZQYLUEOGZRJSSW-VNQPRFMTSA-N 2 0 268.445 2.606 20 0 CFADRP CCO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC000625263845 354008708 /nfs/dbraw/zinc/00/87/08/354008708.db2.gz LVEYJUPHXNLGKQ-KBAYOESNSA-N 2 0 292.467 2.750 20 0 CFADRP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H](C)C1(F)F ZINC000625652730 354081416 /nfs/dbraw/zinc/08/14/16/354081416.db2.gz GBZZLFRBEKPJFX-FRRDWIJNSA-N 2 0 260.372 2.694 20 0 CFADRP COc1nc(C)cc(C)c1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000675808733 540017938 /nfs/dbraw/zinc/01/79/38/540017938.db2.gz RYOXJEZUUATTBG-CQSZACIVSA-N 2 0 291.439 2.527 20 0 CFADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@](C)(O)CC ZINC000626063321 354183499 /nfs/dbraw/zinc/18/34/99/354183499.db2.gz ZLVLBXUQPATESE-QGZVFWFLSA-N 2 0 278.440 2.731 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](OC)C1CC1 ZINC000626063915 354184273 /nfs/dbraw/zinc/18/42/73/354184273.db2.gz VBUPAOHHMCAJBK-GOSISDBHSA-N 2 0 290.451 2.995 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)CC1 ZINC000271740574 191299454 /nfs/dbraw/zinc/29/94/54/191299454.db2.gz VGSFEYYEKGCVHO-SUMWQHHRSA-N 2 0 294.414 2.712 20 0 CFADRP Fc1cccc2c1CC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423467866 283019528 /nfs/dbraw/zinc/01/95/28/283019528.db2.gz BSIBXJDIKXUZLV-LRDDRELGSA-N 2 0 262.372 2.935 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccs1 ZINC000165959925 188634430 /nfs/dbraw/zinc/63/44/30/188634430.db2.gz HHZNRJAGNTVWRC-QWHCGFSZSA-N 2 0 270.442 2.756 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccs1 ZINC000165960008 188634616 /nfs/dbraw/zinc/63/46/16/188634616.db2.gz HHZNRJAGNTVWRC-OLZOCXBDSA-N 2 0 270.442 2.756 20 0 CFADRP Cc1ccnc(N2CC[NH+](C[C@]3(C)CCCS3)CC2)c1 ZINC000628146665 354446412 /nfs/dbraw/zinc/44/64/12/354446412.db2.gz VUTJRLBPOSBFKP-INIZCTEOSA-N 2 0 291.464 2.798 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628152456 354448747 /nfs/dbraw/zinc/44/87/47/354448747.db2.gz BNBCHGIESBTNEA-OAHLLOKOSA-N 2 0 270.486 2.936 20 0 CFADRP C[C@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCS1 ZINC000628182077 354462924 /nfs/dbraw/zinc/46/29/24/354462924.db2.gz BPYNICRNKYIDQC-LSDHHAIUSA-N 2 0 268.470 2.690 20 0 CFADRP C[C@@]1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CCCS1 ZINC000628308578 354535652 /nfs/dbraw/zinc/53/56/52/354535652.db2.gz XEIUXEJJDMKNPZ-AWEZNQCLSA-N 2 0 261.394 2.710 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628308923 354535816 /nfs/dbraw/zinc/53/58/16/354535816.db2.gz RCEBNMJBTHFRCM-KBPBESRZSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000628240428 354497646 /nfs/dbraw/zinc/49/76/46/354497646.db2.gz DRZWIWIUZYALLZ-KZNAEPCWSA-N 2 0 295.515 2.818 20 0 CFADRP C/C=C\C[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000628494830 354609141 /nfs/dbraw/zinc/60/91/41/354609141.db2.gz AKEIVSGSOMVPKO-GEXIGZQTSA-N 2 0 276.428 2.664 20 0 CFADRP CSCC1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000385347985 324460186 /nfs/dbraw/zinc/46/01/86/324460186.db2.gz ZSKAJUVPXMXIKW-MOKVOYLWSA-N 2 0 256.459 2.640 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000339415281 540035485 /nfs/dbraw/zinc/03/54/85/540035485.db2.gz OQWFIYKNLBLUQE-AWEZNQCLSA-N 2 0 288.435 2.613 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000629528923 354833045 /nfs/dbraw/zinc/83/30/45/354833045.db2.gz MZOWXBHAXIIIMF-ZDUSSCGKSA-N 2 0 270.442 2.661 20 0 CFADRP C[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C[NH2+]1 ZINC000629397096 354802184 /nfs/dbraw/zinc/80/21/84/354802184.db2.gz SNOPMCMUAMMJOS-CIRFHOKZSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C[NH2+]1 ZINC000629397098 354802564 /nfs/dbraw/zinc/80/25/64/354802564.db2.gz SNOPMCMUAMMJOS-MVJTYMMSSA-N 2 0 293.499 2.760 20 0 CFADRP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCOCCC[NH3+])cc1 ZINC000629399426 354803014 /nfs/dbraw/zinc/80/30/14/354803014.db2.gz GIIFLAYJSMOLGD-SJORKVTESA-N 2 0 276.424 2.586 20 0 CFADRP [NH3+]CCCOCC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000629398094 354803175 /nfs/dbraw/zinc/80/31/75/354803175.db2.gz MDSJJLOWYDKWRQ-UHFFFAOYSA-N 2 0 276.424 2.668 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000629529263 354833141 /nfs/dbraw/zinc/83/31/41/354833141.db2.gz WWDYBLMFLQSDPJ-JTQLQIEISA-N 2 0 291.222 2.880 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000629529513 354833161 /nfs/dbraw/zinc/83/31/61/354833161.db2.gz FVMKWJQDCTWFDI-INIZCTEOSA-N 2 0 280.412 2.645 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000629406849 354804413 /nfs/dbraw/zinc/80/44/13/354804413.db2.gz ZHFGERFIGBTMRU-GOEBONIOSA-N 2 0 296.842 2.802 20 0 CFADRP Cc1ncsc1C[N@H+](CCC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000339416016 540035976 /nfs/dbraw/zinc/03/59/76/540035976.db2.gz YLUHDWMHUNIXDB-CQSZACIVSA-N 2 0 281.469 2.909 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000629530911 354833584 /nfs/dbraw/zinc/83/35/84/354833584.db2.gz UZMAZRRXGRZZPY-MRXNPFEDSA-N 2 0 290.451 2.713 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CC1 ZINC000629532018 354833705 /nfs/dbraw/zinc/83/37/05/354833705.db2.gz IMLCMHURQRCWJO-YESZJQIVSA-N 2 0 280.456 2.513 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCCC1(C)C ZINC000629511723 354823726 /nfs/dbraw/zinc/82/37/26/354823726.db2.gz QGCVAJNEERCIEC-KGLIPLIRSA-N 2 0 256.434 2.546 20 0 CFADRP c1ccc2c(c1)CCC[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000629513703 354825092 /nfs/dbraw/zinc/82/50/92/354825092.db2.gz KKUIDTHNAGENOD-DLBZAZTESA-N 2 0 270.420 2.808 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000629516498 354825856 /nfs/dbraw/zinc/82/58/56/354825856.db2.gz IKJGSOUATQKSPN-UONOGXRCSA-N 2 0 275.440 2.937 20 0 CFADRP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000629520929 354827814 /nfs/dbraw/zinc/82/78/14/354827814.db2.gz MUQFXUGQAJMWJX-LSDHHAIUSA-N 2 0 268.445 2.689 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000629524937 354829526 /nfs/dbraw/zinc/82/95/26/354829526.db2.gz VPRXGTTUXRWHEO-LSDHHAIUSA-N 2 0 275.440 2.917 20 0 CFADRP [NH3+]C1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000629525581 354829907 /nfs/dbraw/zinc/82/99/07/354829907.db2.gz XBLKVYQQMAENFP-HNNXBMFYSA-N 2 0 294.826 2.889 20 0 CFADRP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cccc(Cl)c1 ZINC000629528751 354831821 /nfs/dbraw/zinc/83/18/21/354831821.db2.gz IKQQSZOZYPVMSI-CQSZACIVSA-N 2 0 270.804 2.617 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000629528626 354831841 /nfs/dbraw/zinc/83/18/41/354831841.db2.gz FJFNYGKVLFNYJX-HNNXBMFYSA-N 2 0 278.440 2.772 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC[NH2+]1 ZINC000629650372 354876119 /nfs/dbraw/zinc/87/61/19/354876119.db2.gz SQEBGFIIOUSDIC-XQHKEYJVSA-N 2 0 260.372 2.598 20 0 CFADRP [NH3+]CCC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000629650348 354876415 /nfs/dbraw/zinc/87/64/15/354876415.db2.gz RZZCZNLINPXWAF-UHFFFAOYSA-N 2 0 272.392 2.523 20 0 CFADRP CC[NH2+]CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000629651781 354877396 /nfs/dbraw/zinc/87/73/96/354877396.db2.gz JOUFKTFVVHPVFO-UHFFFAOYSA-N 2 0 286.419 2.784 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000629536795 354835948 /nfs/dbraw/zinc/83/59/48/354835948.db2.gz ICQZXJSEMDONDO-OAHLLOKOSA-N 2 0 282.815 2.746 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000629535672 354836027 /nfs/dbraw/zinc/83/60/27/354836027.db2.gz DYJRKPOFVOLZDC-AWEZNQCLSA-N 2 0 298.814 2.509 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])C1(c2ccccc2)CCCC1 ZINC000629537903 354836741 /nfs/dbraw/zinc/83/67/41/354836741.db2.gz LFXJQXUYZJMLQK-MRXNPFEDSA-N 2 0 290.451 2.842 20 0 CFADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(F)c2ccccc21 ZINC000629538720 354837562 /nfs/dbraw/zinc/83/75/62/354837562.db2.gz OMFFTBQYDBSVNN-ZDUSSCGKSA-N 2 0 290.382 2.995 20 0 CFADRP CC1(C)CC[C@@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629538488 354837699 /nfs/dbraw/zinc/83/76/99/354837699.db2.gz NCARKRUVLZMZPA-MRXNPFEDSA-N 2 0 276.424 2.754 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)CCCC1CCCCC1 ZINC000629652618 354878208 /nfs/dbraw/zinc/87/82/08/354878208.db2.gz ABDTYLPPNXKVCY-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP CCO[C@@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000629544186 354841289 /nfs/dbraw/zinc/84/12/89/354841289.db2.gz HUNVTYKRZUHEQI-SJORKVTESA-N 2 0 280.456 2.513 20 0 CFADRP CCO[C@H](C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C1CC1 ZINC000629544183 354841718 /nfs/dbraw/zinc/84/17/18/354841718.db2.gz HUNVTYKRZUHEQI-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP FC(F)(F)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000629547420 354842760 /nfs/dbraw/zinc/84/27/60/354842760.db2.gz ARHNHWHDRTWMSD-FOSCPWQOSA-N 2 0 276.346 2.982 20 0 CFADRP C[C@@H](C[NH2+]CC1([NH3+])CCOCC1)c1cccc(Cl)c1 ZINC000629653975 354878554 /nfs/dbraw/zinc/87/85/54/354878554.db2.gz KSPNLPRCPDDYPO-LBPRGKRZSA-N 2 0 282.815 2.541 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCCCF)CC[C@H]1C(F)(F)F ZINC000629564237 354847973 /nfs/dbraw/zinc/84/79/73/354847973.db2.gz SBFZDBROYLSBGN-WDEREUQCSA-N 2 0 270.314 2.585 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000629572357 354848704 /nfs/dbraw/zinc/84/87/04/354848704.db2.gz ZYYVVPVLRMPUEA-MRXNPFEDSA-N 2 0 278.440 2.841 20 0 CFADRP CC1(C)CC(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000629592291 354853383 /nfs/dbraw/zinc/85/33/83/354853383.db2.gz RRRPGFPCKIEGOU-MRXNPFEDSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000355904419 535269839 /nfs/dbraw/zinc/26/98/39/535269839.db2.gz FDIZOLJBEDKDBX-QGZVFWFLSA-N 2 0 295.515 2.911 20 0 CFADRP C[C@H]1CCC[C@H](C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629663941 354883646 /nfs/dbraw/zinc/88/36/46/354883646.db2.gz HNAPMRCHECTYIY-YHUYYLMFSA-N 2 0 250.430 2.744 20 0 CFADRP CC(C)C[C@@H](C[N@H+](C)CCOCC[NH3+])c1ccccc1 ZINC000629667842 354884191 /nfs/dbraw/zinc/88/41/91/354884191.db2.gz XNNFIKXOSKJYIU-KRWDZBQOSA-N 2 0 278.440 2.723 20 0 CFADRP C[NH+](C)CCc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000629731268 354912648 /nfs/dbraw/zinc/91/26/48/354912648.db2.gz HRKGWVARYCHXLH-UHFFFAOYSA-N 2 0 298.434 2.579 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2ccc([C@@H]([NH3+])CO)cc2)cc1F ZINC000629737657 354916619 /nfs/dbraw/zinc/91/66/19/354916619.db2.gz KXXQQOLQDHFSTD-QFYYESIMSA-N 2 0 274.339 2.505 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246287629 540048525 /nfs/dbraw/zinc/04/85/25/540048525.db2.gz CAHWBHYTFMQOMQ-HOCLYGCPSA-N 2 0 276.424 2.700 20 0 CFADRP CC1(F)CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000630072688 354995161 /nfs/dbraw/zinc/99/51/61/354995161.db2.gz VUBGTGMABBFQNC-UHFFFAOYSA-N 2 0 262.372 2.656 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c2ccccc2n1 ZINC000228177108 540083162 /nfs/dbraw/zinc/08/31/62/540083162.db2.gz VDUNCKPTCYVTDF-HIFRSBDPSA-N 2 0 269.392 2.855 20 0 CFADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC000271160801 540098684 /nfs/dbraw/zinc/09/86/84/540098684.db2.gz KHKCNLVDUWLLOB-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(F)c1 ZINC000271831686 191354462 /nfs/dbraw/zinc/35/44/62/191354462.db2.gz FDGARGVNQOIFOA-GFCCVEGCSA-N 2 0 278.371 2.747 20 0 CFADRP Cc1scc(C[NH2+]CCCC[NH+]2CCOCC2)c1C ZINC000631042368 355260866 /nfs/dbraw/zinc/26/08/66/355260866.db2.gz JFYSRTZLOAIYQM-UHFFFAOYSA-N 2 0 282.453 2.567 20 0 CFADRP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)on1 ZINC000631042287 355261230 /nfs/dbraw/zinc/26/12/30/355261230.db2.gz IIFGKBBDSMLSDL-ZDUSSCGKSA-N 2 0 265.401 2.585 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1F ZINC000271889240 191391455 /nfs/dbraw/zinc/39/14/55/191391455.db2.gz ROEIZROCHAYKRU-GFCCVEGCSA-N 2 0 278.371 2.747 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000271891780 191393182 /nfs/dbraw/zinc/39/31/82/191393182.db2.gz SDCCAMUXZGPOEG-HNNXBMFYSA-N 2 0 296.418 2.785 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000271857607 191372123 /nfs/dbraw/zinc/37/21/23/191372123.db2.gz VCDXKLUKDLGOBN-UHFFFAOYSA-N 2 0 267.376 2.586 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1 ZINC000271857241 191372465 /nfs/dbraw/zinc/37/24/65/191372465.db2.gz JRLPDZDBFDMJKX-CYBMUJFWSA-N 2 0 260.381 2.608 20 0 CFADRP CCc1nc(C)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)s1 ZINC000271859679 191374163 /nfs/dbraw/zinc/37/41/63/191374163.db2.gz JXGPDXABWMWTEN-LLVKDONJSA-N 2 0 279.453 2.926 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271866079 191377894 /nfs/dbraw/zinc/37/78/94/191377894.db2.gz WFXXHJOKYBRPQQ-FNORWQNLSA-N 2 0 272.392 2.560 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccnc1Cl ZINC000271866965 191377974 /nfs/dbraw/zinc/37/79/74/191377974.db2.gz LQZXDRRKXDXBPT-NSHDSACASA-N 2 0 265.788 2.648 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCOCC1 ZINC000631195759 355343422 /nfs/dbraw/zinc/34/34/22/355343422.db2.gz JIORZVHPWUAILU-WBVHZDCISA-N 2 0 288.435 2.523 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccnc1 ZINC000631196908 355344404 /nfs/dbraw/zinc/34/44/04/355344404.db2.gz WKXZINAGKPEXSO-QFBILLFUSA-N 2 0 295.430 2.939 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631571653 355494172 /nfs/dbraw/zinc/49/41/72/355494172.db2.gz HHIABLDXFHXRCV-YOEHRIQHSA-N 2 0 273.424 2.781 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000631583075 355501769 /nfs/dbraw/zinc/50/17/69/355501769.db2.gz VRZUOIBWWSJMTL-GUYCJALGSA-N 2 0 274.408 2.614 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCN1CC[C@H](C)C1 ZINC000631585459 355503342 /nfs/dbraw/zinc/50/33/42/355503342.db2.gz MMJTUAZSDWAAQG-GUYCJALGSA-N 2 0 274.408 2.614 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631589902 355504878 /nfs/dbraw/zinc/50/48/78/355504878.db2.gz FODVGWASNZOGFX-DLBZAZTESA-N 2 0 280.456 2.797 20 0 CFADRP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1CCC1 ZINC000668096494 540154285 /nfs/dbraw/zinc/15/42/85/540154285.db2.gz JTHPWHNAHHRKKG-UHFFFAOYSA-N 2 0 270.380 2.889 20 0 CFADRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631652583 355534100 /nfs/dbraw/zinc/53/41/00/355534100.db2.gz SPFVMSSEVXUZAG-NXOAAHMSSA-N 2 0 292.467 2.656 20 0 CFADRP COCc1csc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000668172063 540163056 /nfs/dbraw/zinc/16/30/56/540163056.db2.gz COFMLCUHGBTDIE-HOCLYGCPSA-N 2 0 294.464 2.811 20 0 CFADRP COCc1csc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000668172064 540163093 /nfs/dbraw/zinc/16/30/93/540163093.db2.gz COFMLCUHGBTDIE-ZBFHGGJFSA-N 2 0 294.464 2.811 20 0 CFADRP Clc1cccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887296 355615212 /nfs/dbraw/zinc/61/52/12/355615212.db2.gz QDRIJBZYYDLFBX-XJKSGUPXSA-N 2 0 294.826 2.793 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC2(CCCC2)O1 ZINC000229301928 540178534 /nfs/dbraw/zinc/17/85/34/540178534.db2.gz JMAHHYPVLJGRAU-OAGGEKHMSA-N 2 0 278.440 2.695 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000631823797 355595241 /nfs/dbraw/zinc/59/52/41/355595241.db2.gz OCDDNFIRRMWOAQ-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000631824027 355596499 /nfs/dbraw/zinc/59/64/99/355596499.db2.gz UAFZWYSCHWZBCI-UHFFFAOYSA-N 2 0 275.440 2.828 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)n1 ZINC000631828563 355596981 /nfs/dbraw/zinc/59/69/81/355596981.db2.gz SDNUJWPOUNZISZ-XFJVYGCCSA-N 2 0 275.440 2.812 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC000631837353 355600625 /nfs/dbraw/zinc/60/06/25/355600625.db2.gz RHYXCYAHTHPGLI-CZUORRHYSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000631838833 355601507 /nfs/dbraw/zinc/60/15/07/355601507.db2.gz VVJQRSFJWAIWFQ-AXAPSJFSSA-N 2 0 262.372 2.730 20 0 CFADRP Fc1cccc(CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890648 355616590 /nfs/dbraw/zinc/61/65/90/355616590.db2.gz RAGSWHWGXOCNJI-NVXWUHKLSA-N 2 0 276.399 2.832 20 0 CFADRP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886881 355613525 /nfs/dbraw/zinc/61/35/25/355613525.db2.gz KKRCWMALQOGAEG-HIFRSBDPSA-N 2 0 296.361 2.862 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000293539579 198674327 /nfs/dbraw/zinc/67/43/27/198674327.db2.gz FWXVGGLKLPWZEL-BMFZPTHFSA-N 2 0 276.424 2.786 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC)CC1 ZINC000567298062 290453610 /nfs/dbraw/zinc/45/36/10/290453610.db2.gz FPNJSJFWDBAJGJ-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@H]2CCC[C@H]21 ZINC000453318399 283136900 /nfs/dbraw/zinc/13/69/00/283136900.db2.gz LQHPXBKJEVOGLL-RFQIPJPRSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)[C@H](C)O1 ZINC000449084240 291083088 /nfs/dbraw/zinc/08/30/88/291083088.db2.gz XDSDSNHAQGIHMP-HRCADAONSA-N 2 0 268.445 2.654 20 0 CFADRP c1nc(C2CC2)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000334591021 540246629 /nfs/dbraw/zinc/24/66/29/540246629.db2.gz HHZJMXYPJPGUJC-UHFFFAOYSA-N 2 0 277.437 2.596 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000568249053 290540098 /nfs/dbraw/zinc/54/00/98/290540098.db2.gz GGNAOHSSIRSBET-HUUCEWRRSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]1 ZINC000568380696 290550794 /nfs/dbraw/zinc/55/07/94/290550794.db2.gz RLHFLSXMZGXORR-MAZHCROVSA-N 2 0 295.858 2.673 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000568880508 290575661 /nfs/dbraw/zinc/57/56/61/290575661.db2.gz KRQJALXIYBZTGY-ZIAGYGMSSA-N 2 0 285.391 2.603 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000568882803 290575776 /nfs/dbraw/zinc/57/57/76/290575776.db2.gz DLHBYILBDBMOTA-WZQADMAKSA-N 2 0 254.324 2.693 20 0 CFADRP Clc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000568868833 290574147 /nfs/dbraw/zinc/57/41/47/290574147.db2.gz SWVNYOOVZSWTGZ-HNNXBMFYSA-N 2 0 264.800 2.917 20 0 CFADRP CCCN(CC[C@H]1CCC[N@@H+]1C)CC[NH+](CC)CC ZINC000359575084 283267470 /nfs/dbraw/zinc/26/74/70/283267470.db2.gz ZPEFEQLXNYBLEJ-MRXNPFEDSA-N 2 0 269.477 2.525 20 0 CFADRP C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)COC1CCCC1 ZINC000339069584 540283879 /nfs/dbraw/zinc/28/38/79/540283879.db2.gz XTKADLPCAOJCSD-GJZGRUSLSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000423171888 299269619 /nfs/dbraw/zinc/26/96/19/299269619.db2.gz QKURXZKTZMXBKV-QCXCNERSSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000423052914 299269893 /nfs/dbraw/zinc/26/98/93/299269893.db2.gz QXGZKQURJXWVIF-HRSCSKTISA-N 2 0 289.467 2.785 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000309694020 540384463 /nfs/dbraw/zinc/38/44/63/540384463.db2.gz DPSAPVYNDUAFHV-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000251380437 540387050 /nfs/dbraw/zinc/38/70/50/540387050.db2.gz ZDIUWFWPWDRYDO-PMPSAXMXSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1C[C@H]1C ZINC000423515556 299281962 /nfs/dbraw/zinc/28/19/62/299281962.db2.gz AFLNKHLBDTUINL-GHUWWKFUSA-N 2 0 262.441 2.774 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000343444889 540427936 /nfs/dbraw/zinc/42/79/36/540427936.db2.gz KSDYBJLJJQULKZ-OAHLLOKOSA-N 2 0 298.434 2.865 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000346560907 299288645 /nfs/dbraw/zinc/28/86/45/299288645.db2.gz PKVXKNTWPGBXFL-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000093874225 540438824 /nfs/dbraw/zinc/43/88/24/540438824.db2.gz FCPKJSUIWLYWTP-UHFFFAOYSA-N 2 0 264.413 2.599 20 0 CFADRP C[N@H+](CCSc1ccc(F)cc1)CC(C)(C)C[NH3+] ZINC000093874298 540438914 /nfs/dbraw/zinc/43/89/14/540438914.db2.gz AHBMEVRDYMUUQH-UHFFFAOYSA-N 2 0 270.417 2.835 20 0 CFADRP CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678594883 540463414 /nfs/dbraw/zinc/46/34/14/540463414.db2.gz PLTHXQACIXKTDF-PVAVHDDUSA-N 2 0 282.472 2.758 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000094470691 540450624 /nfs/dbraw/zinc/45/06/24/540450624.db2.gz KOOYLTDTRMDVTQ-HOCLYGCPSA-N 2 0 278.465 2.992 20 0 CFADRP CC(C)CCO[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000350732440 540483852 /nfs/dbraw/zinc/48/38/52/540483852.db2.gz NXSFCNWTEOYXAL-DLBZAZTESA-N 2 0 282.472 2.998 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1Cl ZINC000422701806 237121254 /nfs/dbraw/zinc/12/12/54/237121254.db2.gz CPAOXMJVXXCCRB-CYBMUJFWSA-N 2 0 298.858 2.961 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC[C@H]1CCCC[C@@H]1C ZINC000422730606 237144280 /nfs/dbraw/zinc/14/42/80/237144280.db2.gz MHQGLJSKHBZHDJ-ZNMIVQPWSA-N 2 0 256.434 2.546 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000422730216 237145453 /nfs/dbraw/zinc/14/54/53/237145453.db2.gz JHGDKCJLVYNODV-NVXWUHKLSA-N 2 0 271.408 2.960 20 0 CFADRP C[C@@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422729578 237145618 /nfs/dbraw/zinc/14/56/18/237145618.db2.gz KXYOYGXSQFENPI-KBRIMQKVSA-N 2 0 293.430 2.549 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000422710173 237128082 /nfs/dbraw/zinc/12/80/82/237128082.db2.gz FAXCKFJULWKJTA-KBPBESRZSA-N 2 0 293.430 2.506 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCCN(C)c1ccccc1 ZINC000422739965 237156682 /nfs/dbraw/zinc/15/66/82/237156682.db2.gz MJUHUKOGWVELIX-LSDHHAIUSA-N 2 0 263.429 2.618 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000422726368 237136978 /nfs/dbraw/zinc/13/69/78/237136978.db2.gz DSORMKXYSUHRTC-KKUMJFAQSA-N 2 0 277.456 2.831 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC000422724645 237137507 /nfs/dbraw/zinc/13/75/07/237137507.db2.gz WIVSUORMBMAATE-OAHLLOKOSA-N 2 0 289.423 2.628 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722691 237137821 /nfs/dbraw/zinc/13/78/21/237137821.db2.gz YNMQUWBMKDCOQP-IRXDYDNUSA-N 3 0 281.488 2.750 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000669699574 540515410 /nfs/dbraw/zinc/51/54/10/540515410.db2.gz YIZZBTJWNCOWIL-HZPDHXFCSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422727430 237143009 /nfs/dbraw/zinc/14/30/09/237143009.db2.gz CIJHMEGFZPHRBM-WDEREUQCSA-N 2 0 290.329 2.843 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000422769711 237184433 /nfs/dbraw/zinc/18/44/33/237184433.db2.gz PFODEOZYRWLVPN-KBPBESRZSA-N 2 0 269.392 2.964 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422768976 237185984 /nfs/dbraw/zinc/18/59/84/237185984.db2.gz OHNNJBHIQILFLE-ZBFHGGJFSA-N 2 0 274.408 2.692 20 0 CFADRP Cc1ccc(SCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422774718 237192115 /nfs/dbraw/zinc/19/21/15/237192115.db2.gz YEVIJTDKHBISSH-YIONKMFJSA-N 2 0 276.449 2.960 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCSc1ccc(F)cc1 ZINC000422769583 237186467 /nfs/dbraw/zinc/18/64/67/237186467.db2.gz VJQIRBPQYAYUAC-UONOGXRCSA-N 2 0 268.401 2.777 20 0 CFADRP Cc1[nH+]c2cc(N[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1C ZINC000679153337 540541944 /nfs/dbraw/zinc/54/19/44/540541944.db2.gz RVEDARSLRZVYAA-RISCZKNCSA-N 2 0 272.396 2.776 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccccc1 ZINC000422749583 237162083 /nfs/dbraw/zinc/16/20/83/237162083.db2.gz ZUEMXVVXZCYHQB-ZDUSSCGKSA-N 2 0 269.392 2.742 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422748098 237162205 /nfs/dbraw/zinc/16/22/05/237162205.db2.gz RYMZXTFEXMNELJ-OLMNPRSZSA-N 2 0 287.451 2.681 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C)c1C ZINC000422748148 237163509 /nfs/dbraw/zinc/16/35/09/237163509.db2.gz SFBRBWXMTFTZFT-LSDHHAIUSA-N 2 0 264.413 2.708 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C1 ZINC000422751294 237164502 /nfs/dbraw/zinc/16/45/02/237164502.db2.gz BEZQFRDXVCYYOC-DZKIICNBSA-N 2 0 293.430 2.818 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)c2ccccc21 ZINC000422751364 237166153 /nfs/dbraw/zinc/16/61/53/237166153.db2.gz CLOBMDHBUGVZJW-IPELMVKDSA-N 2 0 296.414 2.572 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000422751176 237166987 /nfs/dbraw/zinc/16/69/87/237166987.db2.gz FJMZKLMEODPMJL-HZPDHXFCSA-N 2 0 281.488 2.891 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422754460 237168413 /nfs/dbraw/zinc/16/84/13/237168413.db2.gz FXHJHPSYHUCYNP-LRDDRELGSA-N 2 0 289.398 2.957 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422760985 237174572 /nfs/dbraw/zinc/17/45/72/237174572.db2.gz QSOJDVAQPVQVEC-IMJJTQAJSA-N 2 0 294.464 2.511 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000422760193 237176733 /nfs/dbraw/zinc/17/67/33/237176733.db2.gz KPDWJVCEKFLLDT-WFASDCNBSA-N 2 0 266.816 2.860 20 0 CFADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000422763700 237178748 /nfs/dbraw/zinc/17/87/48/237178748.db2.gz UMCMEXUZVPYDEV-OBJOEFQTSA-N 2 0 250.361 2.864 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCSc1ccccc1 ZINC000422762652 237179001 /nfs/dbraw/zinc/17/90/01/237179001.db2.gz SIOODOJHRXDSAC-ZFWWWQNUSA-N 2 0 264.438 2.886 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cccs1 ZINC000422762695 237179213 /nfs/dbraw/zinc/17/92/13/237179213.db2.gz SRKAFAHJSSYHDW-NSHDSACASA-N 2 0 275.421 2.804 20 0 CFADRP Fc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422804384 237228609 /nfs/dbraw/zinc/22/86/09/237228609.db2.gz KIMDRXXBTLEWLP-BZUAXINKSA-N 2 0 280.362 2.975 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795398 237218739 /nfs/dbraw/zinc/21/87/39/237218739.db2.gz VKPVLSGKHZAKFC-ZWKOTPCHSA-N 2 0 287.451 2.642 20 0 CFADRP Cc1ccccc1O[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422794689 237219330 /nfs/dbraw/zinc/21/93/30/237219330.db2.gz UQUJUMHZJXLOFJ-LSVZVQIISA-N 2 0 274.408 2.635 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000422794842 237219357 /nfs/dbraw/zinc/21/93/57/237219357.db2.gz GZNSBBFHFWXDQM-NXEZZACHSA-N 2 0 258.312 2.503 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](C)c1ccc(F)cc1F ZINC000422798595 237221716 /nfs/dbraw/zinc/22/17/16/237221716.db2.gz RXLVLLGWJVWSRX-OUAUKWLOSA-N 2 0 256.340 2.784 20 0 CFADRP Cc1ccc(SCC[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422774785 237192785 /nfs/dbraw/zinc/19/27/85/237192785.db2.gz YLQGQNUGRHQBPO-CYBMUJFWSA-N 2 0 252.427 2.804 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000251900042 540554416 /nfs/dbraw/zinc/55/44/16/540554416.db2.gz WTAXQZJRTXXDRR-IUODEOHRSA-N 2 0 258.365 2.992 20 0 CFADRP Cc1ccc(O[C@H](C)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000422778484 237195918 /nfs/dbraw/zinc/19/59/18/237195918.db2.gz APZUVDYOYUTBDP-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251914114 540554773 /nfs/dbraw/zinc/55/47/73/540554773.db2.gz XYAJVNRKGYFZRV-LALPHHSUSA-N 2 0 250.361 2.946 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000251935246 540555398 /nfs/dbraw/zinc/55/53/98/540555398.db2.gz ZQTJLQMVSSHJTG-CZUORRHYSA-N 2 0 280.387 2.654 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000422779846 237198366 /nfs/dbraw/zinc/19/83/66/237198366.db2.gz JGTMLEKQLSRSSK-HIFRSBDPSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422781793 237201099 /nfs/dbraw/zinc/20/10/99/237201099.db2.gz JHIMMVNXEXOFBL-INIZCTEOSA-N 3 0 289.467 2.890 20 0 CFADRP COc1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422784710 237205478 /nfs/dbraw/zinc/20/54/78/237205478.db2.gz JACTVTIQDZRLPU-ZWKOTPCHSA-N 2 0 298.386 2.808 20 0 CFADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422786937 237208760 /nfs/dbraw/zinc/20/87/60/237208760.db2.gz PIHOBBLTTNPUSN-UZCIPKQKSA-N 2 0 298.434 2.702 20 0 CFADRP Cc1cccc(O[C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422788908 237211859 /nfs/dbraw/zinc/21/18/59/237211859.db2.gz NYLMCDYYOJAHLA-GJZGRUSLSA-N 2 0 264.413 2.869 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422792322 237215794 /nfs/dbraw/zinc/21/57/94/237215794.db2.gz DIXKWDDFLNBXBG-GVDBMIGSSA-N 2 0 279.472 2.501 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422793155 237216688 /nfs/dbraw/zinc/21/66/88/237216688.db2.gz RUBAPWHUNIVIJP-IMJJTQAJSA-N 2 0 276.424 2.740 20 0 CFADRP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000422792827 237216732 /nfs/dbraw/zinc/21/67/32/237216732.db2.gz ZOZITBHLQRYEEK-CHWSQXEVSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1ccc(Cl)cc1 ZINC000422794881 237217089 /nfs/dbraw/zinc/21/70/89/237217089.db2.gz HEJUCSPHARSFRT-TYNCELHUSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C[C@H]1C[NH3+] ZINC000253197244 540579142 /nfs/dbraw/zinc/57/91/42/540579142.db2.gz UNBDGTDPSDJCJR-XJKSGUPXSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000422806520 237231938 /nfs/dbraw/zinc/23/19/38/237231938.db2.gz NMFABFMIWNFMPQ-WDEREUQCSA-N 2 0 290.329 2.843 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000422813688 237241200 /nfs/dbraw/zinc/24/12/00/237241200.db2.gz YMFSORNCPCQPCS-BFHYXJOUSA-N 2 0 272.396 2.649 20 0 CFADRP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000297079000 200078970 /nfs/dbraw/zinc/07/89/70/200078970.db2.gz UXFNMEGGNKVVQJ-MRXNPFEDSA-N 2 0 298.434 2.500 20 0 CFADRP Fc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(Cl)c1 ZINC000666952127 540596072 /nfs/dbraw/zinc/59/60/72/540596072.db2.gz GXMODLJVVQMAJD-ZDUSSCGKSA-N 2 0 268.763 2.711 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC23CC[NH2+]CC3)C1 ZINC000666953718 540596391 /nfs/dbraw/zinc/59/63/91/540596391.db2.gz GDKHQMFTAMWHBF-RBSFLKMASA-N 2 0 250.430 2.935 20 0 CFADRP C[C@@H](CC[NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000666953542 540596479 /nfs/dbraw/zinc/59/64/79/540596479.db2.gz AZIGECPUYQKKMM-GOEBONIOSA-N 2 0 258.409 2.912 20 0 CFADRP Fc1ccc2oc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cc2c1 ZINC000666952444 540596493 /nfs/dbraw/zinc/59/64/93/540596493.db2.gz WRLAPNFSDMQHOP-HNNXBMFYSA-N 2 0 274.339 2.804 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cnccc1N ZINC000422873411 237293440 /nfs/dbraw/zinc/29/34/40/237293440.db2.gz ADUFIGPXLKHKQK-HNNXBMFYSA-N 2 0 290.455 2.657 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422873454 237293720 /nfs/dbraw/zinc/29/37/20/237293720.db2.gz AJOUIPFIGSBTLJ-SJORKVTESA-N 2 0 284.407 2.622 20 0 CFADRP COc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422874324 237297018 /nfs/dbraw/zinc/29/70/18/237297018.db2.gz NIYWWKQYVRQWEW-ZFWWWQNUSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422839325 237264995 /nfs/dbraw/zinc/26/49/95/237264995.db2.gz ZVXQOYDWPMLBDV-XYJFISCASA-N 2 0 287.451 2.633 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000666853902 540587394 /nfs/dbraw/zinc/58/73/94/540587394.db2.gz JDMVUASYMJPCFM-HZPDHXFCSA-N 2 0 255.365 2.594 20 0 CFADRP C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000666984003 540603052 /nfs/dbraw/zinc/60/30/52/540603052.db2.gz AEAMBSPIXSMRCJ-RHSMWYFYSA-N 2 0 260.425 2.881 20 0 CFADRP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993795 540603801 /nfs/dbraw/zinc/60/38/01/540603801.db2.gz KBJPZXPQKGLKCV-MRXNPFEDSA-N 2 0 273.424 2.587 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000422887771 237308855 /nfs/dbraw/zinc/30/88/55/237308855.db2.gz ZJMNRWWIYALAGD-ZACQAIPSSA-N 3 0 281.488 2.748 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000422890832 237312565 /nfs/dbraw/zinc/31/25/65/237312565.db2.gz TWYDHJGRSKQUOO-OLZOCXBDSA-N 2 0 286.423 2.705 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422890098 237312622 /nfs/dbraw/zinc/31/26/22/237312622.db2.gz RDVGPEQNTBLPJB-SMDDNHRTSA-N 2 0 282.815 2.956 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089139949 283463691 /nfs/dbraw/zinc/46/36/91/283463691.db2.gz MKNGNXRRKRERJW-ZFWWWQNUSA-N 2 0 266.816 2.990 20 0 CFADRP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422892889 237316048 /nfs/dbraw/zinc/31/60/48/237316048.db2.gz ZPTJDXPFHFVSBS-RRFJBIMHSA-N 2 0 293.480 2.813 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000422897829 237320528 /nfs/dbraw/zinc/32/05/28/237320528.db2.gz CZHBHUAPUOFFCJ-GLQYFDAESA-N 2 0 290.432 2.743 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422904370 237329308 /nfs/dbraw/zinc/32/93/08/237329308.db2.gz XFWJQOCWGCOZLI-WBVHZDCISA-N 2 0 276.424 2.884 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000669927674 540617577 /nfs/dbraw/zinc/61/75/77/540617577.db2.gz XGQOHGHMWXRPNF-MRXNPFEDSA-N 2 0 280.456 2.752 20 0 CFADRP Fc1cccc(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000679318699 540601254 /nfs/dbraw/zinc/60/12/54/540601254.db2.gz SUESKDUQJCXONE-UHFFFAOYSA-N 2 0 299.393 2.976 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1ccccc1 ZINC000422880604 237302560 /nfs/dbraw/zinc/30/25/60/237302560.db2.gz XAEWXFMXKJSHOB-JYDDWQFKSA-N 2 0 290.451 2.648 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cc(C)cc(C)c1 ZINC000422922620 237352019 /nfs/dbraw/zinc/35/20/19/237352019.db2.gz QHEXKELVDSTBEK-DOTOQJQBSA-N 2 0 278.440 2.578 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422946035 237373943 /nfs/dbraw/zinc/37/39/43/237373943.db2.gz ODJIPUYXXHCHSK-RYUDHWBXSA-N 2 0 297.830 2.774 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000422924318 237357688 /nfs/dbraw/zinc/35/76/88/237357688.db2.gz AMYGRQNRLHXSPV-MHEUCROKSA-N 2 0 292.448 2.565 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H]2C[C@@H]2Cc2ccccc2)CC1 ZINC000422926101 237358806 /nfs/dbraw/zinc/35/88/06/237358806.db2.gz WFGVIQUWMIXWMD-XGHPGWEVSA-N 2 0 258.409 2.725 20 0 CFADRP CSc1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641802829 540632751 /nfs/dbraw/zinc/63/27/51/540632751.db2.gz PMPAVIBPEQEPJF-KGLIPLIRSA-N 2 0 280.437 2.503 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422937597 237368951 /nfs/dbraw/zinc/36/89/51/237368951.db2.gz OIVDIAQBINHHCE-FZMZJTMJSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422939846 237369591 /nfs/dbraw/zinc/36/95/91/237369591.db2.gz GCINYLRJYFXUTI-MAZHCROVSA-N 2 0 296.842 2.615 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CCCc1ccc(Cl)cc1 ZINC000422943757 237373313 /nfs/dbraw/zinc/37/33/13/237373313.db2.gz KSOZBJGSZOZHQJ-OAHLLOKOSA-N 2 0 284.831 2.616 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422915752 237340870 /nfs/dbraw/zinc/34/08/70/237340870.db2.gz BUUFLZXQDARVQU-DZGCQCFKSA-N 2 0 258.365 2.692 20 0 CFADRP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297331880 200152289 /nfs/dbraw/zinc/15/22/89/200152289.db2.gz JBRIWPWIRBAOFA-MSOLQXFVSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000422967170 237399146 /nfs/dbraw/zinc/39/91/46/237399146.db2.gz BMFBEAXRKYBRFQ-JSGCOSHPSA-N 2 0 259.397 2.856 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000297385538 200171422 /nfs/dbraw/zinc/17/14/22/200171422.db2.gz AWNZVBLZUSGPGF-YPMHNXCESA-N 2 0 299.296 2.534 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000422997501 237427620 /nfs/dbraw/zinc/42/76/20/237427620.db2.gz BNGSBSYXYDDTMP-RYUDHWBXSA-N 2 0 270.804 2.572 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000423039486 237469259 /nfs/dbraw/zinc/46/92/59/237469259.db2.gz QLQHTKRJNDLWPH-QWRGUYRKSA-N 2 0 255.431 2.662 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000422555735 296000208 /nfs/dbraw/zinc/00/02/08/296000208.db2.gz QZDBHMNCQHKEHD-SOEBMCCKSA-N 3 0 281.488 2.760 20 0 CFADRP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297534018 200221400 /nfs/dbraw/zinc/22/14/00/200221400.db2.gz WCAJOTMCLOXFOS-WMZOPIPTSA-N 2 0 288.435 2.744 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000423092048 237516948 /nfs/dbraw/zinc/51/69/48/237516948.db2.gz AGUVTGQMHGVHPP-FVQBIDKESA-N 2 0 296.842 2.930 20 0 CFADRP CSC1(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000423090363 237519546 /nfs/dbraw/zinc/51/95/46/237519546.db2.gz VGYJOEAKHOCOQT-ZFWWWQNUSA-N 2 0 278.465 2.820 20 0 CFADRP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CS1 ZINC000297645004 200250675 /nfs/dbraw/zinc/25/06/75/200250675.db2.gz XQKOGZQOOTWYEB-DZGCQCFKSA-N 2 0 275.421 2.954 20 0 CFADRP [NH3+]CCCN(c1cccc(F)c1)C1CC[NH+](C2CC2)CC1 ZINC000297676688 200259367 /nfs/dbraw/zinc/25/93/67/200259367.db2.gz OYNSJAWLOKMAQI-UHFFFAOYSA-N 2 0 291.414 2.608 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404341678 540678023 /nfs/dbraw/zinc/67/80/23/540678023.db2.gz DYWOOXCSZKTOGQ-BHYGNILZSA-N 2 0 276.424 2.823 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H]1CC[NH3+] ZINC000404426640 540678372 /nfs/dbraw/zinc/67/83/72/540678372.db2.gz LYGYYDBTAMZCRL-SUJAAXHWSA-N 2 0 250.430 2.872 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCCC1CCOCC1)C2 ZINC000380457460 540688242 /nfs/dbraw/zinc/68/82/42/540688242.db2.gz OMEZBWWMSVDWEH-IRXDYDNUSA-N 2 0 280.456 2.644 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000423182650 283561067 /nfs/dbraw/zinc/56/10/67/283561067.db2.gz QVFAKRZXSWNPCW-QGZVFWFLSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@]1(c2ccccc2)C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000521845506 540734001 /nfs/dbraw/zinc/73/40/01/540734001.db2.gz RBILRBYPVYIKTJ-FUHWJXTLSA-N 2 0 288.435 2.624 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C)cc2)[C@H](C)C1 ZINC000178236657 189099855 /nfs/dbraw/zinc/09/98/55/189099855.db2.gz IDMXFCYFBXAIFZ-NVXWUHKLSA-N 2 0 276.424 2.694 20 0 CFADRP C[NH2+]CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000435874565 240363503 /nfs/dbraw/zinc/36/35/03/240363503.db2.gz LLEHRCNPUGBJCZ-SWLSCSKDSA-N 2 0 250.361 2.818 20 0 CFADRP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383650485 540759962 /nfs/dbraw/zinc/75/99/62/540759962.db2.gz HHWLANLYBIUJLC-JSGCOSHPSA-N 2 0 250.411 2.617 20 0 CFADRP C[C@@H](O)c1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000178549294 189126036 /nfs/dbraw/zinc/12/60/36/189126036.db2.gz PUROAFSAZCQCKW-OEUWWYETSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000054241405 540781596 /nfs/dbraw/zinc/78/15/96/540781596.db2.gz NRRNYQAIVZLGQW-STQMWFEESA-N 2 0 252.427 2.611 20 0 CFADRP C[NH2+]CCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000435877015 240363788 /nfs/dbraw/zinc/36/37/88/240363788.db2.gz MPZJONIVKLIVTM-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP C(C1CC[NH+]([C@@H]2CCCOC2)CC1)[NH+]1CCCCCC1 ZINC000674300983 540818552 /nfs/dbraw/zinc/81/85/52/540818552.db2.gz KCPCLCYTSIXDGQ-QGZVFWFLSA-N 2 0 280.456 2.753 20 0 CFADRP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178975568 189159159 /nfs/dbraw/zinc/15/91/59/189159159.db2.gz PGKVUFXLSXKPKA-PBHICJAKSA-N 2 0 258.409 2.864 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@H]2CCCOC2)C1 ZINC000674301692 540820009 /nfs/dbraw/zinc/82/00/09/540820009.db2.gz FQEZQRATUPPRQV-ZACQAIPSSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)CCc1cccc(F)c1 ZINC000435868388 240364659 /nfs/dbraw/zinc/36/46/59/240364659.db2.gz FCKPHIGELNJZQM-UHFFFAOYSA-N 2 0 252.377 2.690 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000423095133 238197968 /nfs/dbraw/zinc/19/79/68/238197968.db2.gz LLDANQJKBBEUBS-AVGNSLFASA-N 2 0 250.361 2.789 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000423095268 238198573 /nfs/dbraw/zinc/19/85/73/238198573.db2.gz LVJMZUGCSIFZRY-SDADXPQNSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000423099879 238200050 /nfs/dbraw/zinc/20/00/50/238200050.db2.gz UMUKPTASJQXWEA-OBJOEFQTSA-N 2 0 261.413 2.936 20 0 CFADRP c1[nH]nc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc12 ZINC000423098992 238200683 /nfs/dbraw/zinc/20/06/83/238200683.db2.gz DRAVWMQDZRJLHT-BRWVUGGUSA-N 2 0 298.434 2.616 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000423098709 238200765 /nfs/dbraw/zinc/20/07/65/238200765.db2.gz DJLWAMPTOWDRNO-ZIAGYGMSSA-N 2 0 277.799 2.764 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423122322 238212915 /nfs/dbraw/zinc/21/29/15/238212915.db2.gz CEAIQEMTMRUGLF-DARAHFNDSA-N 2 0 262.372 2.789 20 0 CFADRP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423122392 238213210 /nfs/dbraw/zinc/21/32/10/238213210.db2.gz KNZKHGUHUBXJCV-RKTXRCNFSA-N 2 0 286.419 2.673 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C)cc1C ZINC000423122800 238213709 /nfs/dbraw/zinc/21/37/09/238213709.db2.gz DCTZYWSRTWLEJF-INIZCTEOSA-N 2 0 292.467 2.925 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414925195 540830964 /nfs/dbraw/zinc/83/09/64/540830964.db2.gz LLPWNIQZHYJGRR-GJZGRUSLSA-N 2 0 292.423 2.844 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OC(C)C ZINC000414934747 540831662 /nfs/dbraw/zinc/83/16/62/540831662.db2.gz YDJYISMAXAZPDF-LSDHHAIUSA-N 2 0 292.423 2.842 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414933688 540831882 /nfs/dbraw/zinc/83/18/82/540831882.db2.gz XEVCTXSOGOEAAF-KWCYVHTRSA-N 2 0 252.427 2.929 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423127852 238219951 /nfs/dbraw/zinc/21/99/51/238219951.db2.gz PSIYWTQDUUTFRY-UONOGXRCSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1scnc1C1CC1 ZINC000415017831 540832740 /nfs/dbraw/zinc/83/27/40/540832740.db2.gz SLISIWGXXKXIPY-SNVBAGLBSA-N 2 0 253.415 2.628 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415045177 540833402 /nfs/dbraw/zinc/83/34/02/540833402.db2.gz STZHDDCJIHAKDT-CABCVRRESA-N 2 0 256.434 2.561 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415074106 540833757 /nfs/dbraw/zinc/83/37/57/540833757.db2.gz BYQOCHIJIFPIBW-GDBMZVCRSA-N 2 0 276.424 2.748 20 0 CFADRP CCOc1ccccc1CC[NH2+]C[C@H]([NH3+])CC(C)C ZINC000415073387 540833767 /nfs/dbraw/zinc/83/37/67/540833767.db2.gz BBZSTBKCKZMSHL-OAHLLOKOSA-N 2 0 264.413 2.591 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415074111 540833793 /nfs/dbraw/zinc/83/37/93/540833793.db2.gz BYQOCHIJIFPIBW-ZBFHGGJFSA-N 2 0 276.424 2.748 20 0 CFADRP C[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCC[NH2+]1 ZINC000423110705 238206186 /nfs/dbraw/zinc/20/61/86/238206186.db2.gz IJHRPEWHQHLTLD-LRDDRELGSA-N 2 0 289.398 2.970 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2)cc1F ZINC000423117288 238209084 /nfs/dbraw/zinc/20/90/84/238209084.db2.gz UQNHSEBWTOZPJC-IMIFBBOLSA-N 2 0 280.387 2.796 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000423143537 238228593 /nfs/dbraw/zinc/22/85/93/238228593.db2.gz XDGHDAPZDLIFFO-AWEZNQCLSA-N 2 0 284.831 2.534 20 0 CFADRP C[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)C(C)(C)C ZINC000670264320 540844857 /nfs/dbraw/zinc/84/48/57/540844857.db2.gz PJNDGVUTSBVKBC-CQSZACIVSA-N 2 0 270.461 2.711 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000423149008 238235760 /nfs/dbraw/zinc/23/57/60/238235760.db2.gz HDQGLJQUQWVBST-CMPLNLGQSA-N 2 0 283.366 2.935 20 0 CFADRP FC1(F)CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423151072 238237443 /nfs/dbraw/zinc/23/74/43/238237443.db2.gz ZTAGTXPGSOAAEB-FKJOKYEKSA-N 2 0 258.356 2.685 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000423149913 238237774 /nfs/dbraw/zinc/23/77/74/238237774.db2.gz BCWQDWUWSBDJJT-DQUJLWGMSA-N 2 0 286.419 2.814 20 0 CFADRP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2)c1 ZINC000423154545 238240463 /nfs/dbraw/zinc/24/04/63/238240463.db2.gz JQDVXSCMHPPGEG-AYRXBEOTSA-N 2 0 262.397 2.657 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)c1OC ZINC000423132445 238221701 /nfs/dbraw/zinc/22/17/01/238221701.db2.gz UOXUXAMHOPQBBH-WZRBSPASSA-N 2 0 280.412 2.789 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423137067 238224167 /nfs/dbraw/zinc/22/41/67/238224167.db2.gz HMMIYRNJPYSBJV-LSDHHAIUSA-N 2 0 275.440 2.775 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000423139231 238225850 /nfs/dbraw/zinc/22/58/50/238225850.db2.gz UXQAPUVJRXSGDY-CQDKDKBSSA-N 2 0 298.377 2.640 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000684425453 540854169 /nfs/dbraw/zinc/85/41/69/540854169.db2.gz PXGQIPNBCCDKGE-SLTXQBBLSA-N 2 0 266.429 2.551 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000423161426 238243473 /nfs/dbraw/zinc/24/34/73/238243473.db2.gz NUVKSNSGNWBPGO-JWTNVVGKSA-N 2 0 270.420 2.807 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423159142 238245149 /nfs/dbraw/zinc/24/51/49/238245149.db2.gz OWGNEFVVSKSGIR-ZYSHUDEJSA-N 2 0 296.414 2.979 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423161747 238245582 /nfs/dbraw/zinc/24/55/82/238245582.db2.gz JNJSIMNCRNSXJY-STECZYCISA-N 2 0 258.409 2.581 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000423165751 238247605 /nfs/dbraw/zinc/24/76/05/238247605.db2.gz QFSQRVHXKAQHKD-KGLIPLIRSA-N 2 0 256.434 2.546 20 0 CFADRP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423196504 238272072 /nfs/dbraw/zinc/27/20/72/238272072.db2.gz ZWCRZQOJHOKZCH-YNEHKIRRSA-N 2 0 291.414 2.964 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423202352 238275445 /nfs/dbraw/zinc/27/54/45/238275445.db2.gz AUUFCBSRHPNMKF-CRAIPNDOSA-N 2 0 272.436 2.905 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423206058 238277598 /nfs/dbraw/zinc/27/75/98/238277598.db2.gz FRURCIQJEMDTSR-KFWWJZLASA-N 2 0 276.424 2.776 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423208530 238278949 /nfs/dbraw/zinc/27/89/49/238278949.db2.gz YXUGBWGQUNPGJN-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP COc1cccc(C[C@H]([NH2+]CCC[NH3+])c2ccccc2)c1 ZINC000423191227 238265649 /nfs/dbraw/zinc/26/56/49/238265649.db2.gz OSLUHNAMRVHTFU-SFHVURJKSA-N 2 0 284.403 2.917 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423224932 238289179 /nfs/dbraw/zinc/28/91/79/238289179.db2.gz KPIBCBKPSYGYDH-XEZPLFJOSA-N 2 0 280.387 2.620 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000423224930 238289686 /nfs/dbraw/zinc/28/96/86/238289686.db2.gz KPIBCBKPSYGYDH-HEHGZKQESA-N 2 0 280.387 2.620 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423227968 238292291 /nfs/dbraw/zinc/29/22/91/238292291.db2.gz XSGBLHZFJLDKAR-QEJZJMRPSA-N 2 0 262.397 2.559 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000423230687 238292862 /nfs/dbraw/zinc/29/28/62/238292862.db2.gz FBSVBXBHLIYROR-OWCLPIDISA-N 2 0 273.424 2.758 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000423211369 238281554 /nfs/dbraw/zinc/28/15/54/238281554.db2.gz KZMJSLGBXRHFAU-HOCLYGCPSA-N 2 0 298.434 2.831 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423222662 238285892 /nfs/dbraw/zinc/28/58/92/238285892.db2.gz CAESIIWYIFWVMI-IMJJTQAJSA-N 2 0 276.424 2.697 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)c(F)c(F)c1 ZINC000423240265 238300710 /nfs/dbraw/zinc/30/07/10/238300710.db2.gz BZQYBKJYWBEWLE-UWVGGRQHSA-N 2 0 272.314 2.754 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423246095 238305111 /nfs/dbraw/zinc/30/51/11/238305111.db2.gz JXPVIWWWKNRRFS-NEPJUHHUSA-N 2 0 275.421 2.947 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000423246844 238306627 /nfs/dbraw/zinc/30/66/27/238306627.db2.gz KJDOWZBPEWYOTM-YJBOKZPZSA-N 2 0 272.436 2.905 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000423118431 299318423 /nfs/dbraw/zinc/31/84/23/299318423.db2.gz AOAKNXWATTXSJQ-WUHRBBMRSA-N 2 0 278.362 2.943 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000155846884 540908524 /nfs/dbraw/zinc/90/85/24/540908524.db2.gz LFLSFMOZUHWQET-INIZCTEOSA-N 3 0 283.504 2.815 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423256569 238312761 /nfs/dbraw/zinc/31/27/61/238312761.db2.gz CASONPYUURMIRP-NVXWUHKLSA-N 2 0 275.440 2.772 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000423259762 238314991 /nfs/dbraw/zinc/31/49/91/238314991.db2.gz OTYAKOUYJAORSP-ZIAGYGMSSA-N 2 0 292.423 2.744 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000353634235 540914752 /nfs/dbraw/zinc/91/47/52/540914752.db2.gz VCJCPTHIDAITJS-HOTGVXAUSA-N 2 0 291.439 2.546 20 0 CFADRP CCCN1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000389204003 540936529 /nfs/dbraw/zinc/93/65/29/540936529.db2.gz AOFAGCOGJFVEHW-GDBMZVCRSA-N 2 0 262.372 2.887 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)C1CC1 ZINC000423280120 238337160 /nfs/dbraw/zinc/33/71/60/238337160.db2.gz SZUHVXSYLABVAK-IRXDYDNUSA-N 2 0 260.425 2.889 20 0 CFADRP [NH3+][C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000423314654 238367461 /nfs/dbraw/zinc/36/74/61/238367461.db2.gz HLXJWDGCDFKLKE-FCGDIQPGSA-N 2 0 299.462 2.509 20 0 CFADRP CC[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1C[C@@H]1C ZINC000666086626 540955292 /nfs/dbraw/zinc/95/52/92/540955292.db2.gz LHXHXGGTFCIEIY-WBAXXEDZSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000423292251 238350281 /nfs/dbraw/zinc/35/02/81/238350281.db2.gz METYXLVDNNQOSY-STQMWFEESA-N 2 0 255.365 2.952 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000685840414 540957609 /nfs/dbraw/zinc/95/76/09/540957609.db2.gz ICYWBKTWKHUYSX-HNNXBMFYSA-N 2 0 272.436 2.723 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC3CC3)C1)CC2 ZINC000157727200 540960651 /nfs/dbraw/zinc/96/06/51/540960651.db2.gz CNBAMEMOAWCOCT-DOTOQJQBSA-N 2 0 274.383 2.887 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423298843 238356546 /nfs/dbraw/zinc/35/65/46/238356546.db2.gz OXTZLFLZYJHCLH-ZJUUUORDSA-N 2 0 276.302 2.831 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423166439 299319610 /nfs/dbraw/zinc/31/96/10/299319610.db2.gz ZFKIGPDVJKBJSN-YSVLISHTSA-N 2 0 258.409 2.768 20 0 CFADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CC1(C)C ZINC000666090264 540976555 /nfs/dbraw/zinc/97/65/55/540976555.db2.gz SEYHBXFBSVEOGU-XIRDDKMYSA-N 2 0 293.499 2.569 20 0 CFADRP COc1cccc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000158995019 540982506 /nfs/dbraw/zinc/98/25/06/540982506.db2.gz PLNALKSSXDBJTI-CQSZACIVSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOCc1ccccc1 ZINC000390777565 540982512 /nfs/dbraw/zinc/98/25/12/540982512.db2.gz OLCFAEXMAZBNDB-INIZCTEOSA-N 2 0 264.413 2.508 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1F ZINC000423321047 238372112 /nfs/dbraw/zinc/37/21/12/238372112.db2.gz FXJIMZDBQGDCCR-LBPRGKRZSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC[NH2+]1 ZINC000423369443 238412040 /nfs/dbraw/zinc/41/20/40/238412040.db2.gz CDRPOTCOPDNESC-TXCZRRACSA-N 2 0 288.435 2.963 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2cccnc2)cc1 ZINC000423341918 238391014 /nfs/dbraw/zinc/39/10/14/238391014.db2.gz KOYHASQFMRTXDW-GOSISDBHSA-N 2 0 297.377 2.819 20 0 CFADRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423347599 238396728 /nfs/dbraw/zinc/39/67/28/238396728.db2.gz QSQAVSCLJRIBNW-NSHDSACASA-N 2 0 250.773 2.910 20 0 CFADRP COc1cccc(C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2C)C2CC2)c1 ZINC000423402022 238440175 /nfs/dbraw/zinc/44/01/75/238440175.db2.gz REAUYZMXSTXBBG-BVGQSLNGSA-N 2 0 288.435 2.604 20 0 CFADRP FCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423422599 238451066 /nfs/dbraw/zinc/45/10/66/238451066.db2.gz BNAIGSFWWBVKSF-FXUDXRNXSA-N 2 0 268.420 2.883 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423448239 238461802 /nfs/dbraw/zinc/46/18/02/238461802.db2.gz USQIKCOZUBNYSL-XOKHGSTOSA-N 2 0 287.451 2.791 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000312585531 541035403 /nfs/dbraw/zinc/03/54/03/541035403.db2.gz QFMOIFHDJIMEOE-JKSUJKDBSA-N 2 0 282.472 2.780 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCC12CCCCC2 ZINC000313004545 541037644 /nfs/dbraw/zinc/03/76/44/541037644.db2.gz BMWYECKHLMLRCC-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@]1(C)C[NH3+] ZINC000311531848 541028703 /nfs/dbraw/zinc/02/87/03/541028703.db2.gz RJJIVBYOYXEIPS-CXAGYDPISA-N 2 0 258.409 2.981 20 0 CFADRP Cc1cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)nn1C ZINC000423519795 238512430 /nfs/dbraw/zinc/51/24/30/238512430.db2.gz QNTFMHZICIJCDE-ZBFHGGJFSA-N 2 0 286.423 2.859 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)nc1C ZINC000314808141 541047604 /nfs/dbraw/zinc/04/76/04/541047604.db2.gz PDHSKSHCSIGTFY-AWEZNQCLSA-N 2 0 261.413 2.518 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746300 541064380 /nfs/dbraw/zinc/06/43/80/541064380.db2.gz HTOHRWRRQKDTPQ-LLVKDONJSA-N 2 0 289.379 2.526 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746757 541064585 /nfs/dbraw/zinc/06/45/85/541064585.db2.gz GGZQUBYEGHQWBI-NEPJUHHUSA-N 2 0 289.379 2.526 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CS1 ZINC000666417736 541092072 /nfs/dbraw/zinc/09/20/72/541092072.db2.gz KVUZLYSBNODXFE-ZFWWWQNUSA-N 2 0 294.464 2.611 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000184275857 189381013 /nfs/dbraw/zinc/38/10/13/189381013.db2.gz SCSGHCZNCMCYBL-UONOGXRCSA-N 2 0 259.397 2.525 20 0 CFADRP [NH3+]C1(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCCC1 ZINC000666802885 541145778 /nfs/dbraw/zinc/14/57/78/541145778.db2.gz LIIKAQOEHVRPOE-SJORKVTESA-N 2 0 287.451 2.731 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1c(F)cncc1F ZINC000671770865 541146881 /nfs/dbraw/zinc/14/68/81/541146881.db2.gz NVMWZUBAYNOSBJ-QWRGUYRKSA-N 2 0 283.366 2.741 20 0 CFADRP CC1(C[NH2+]Cc2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000666840436 541150099 /nfs/dbraw/zinc/15/00/99/541150099.db2.gz RYBALOGYSCRIEG-UHFFFAOYSA-N 2 0 279.453 2.501 20 0 CFADRP CC1(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC[NH2+]CC1 ZINC000666839642 541150115 /nfs/dbraw/zinc/15/01/15/541150115.db2.gz MTZXMGZONAWYHA-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000666856394 541152722 /nfs/dbraw/zinc/15/27/22/541152722.db2.gz GKBCMKLIERRPNX-CYBMUJFWSA-N 2 0 297.240 2.989 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666855549 541152767 /nfs/dbraw/zinc/15/27/67/541152767.db2.gz ZKXUREVNSCWIIF-INIZCTEOSA-N 2 0 284.407 2.617 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2c1 ZINC000666743565 541137516 /nfs/dbraw/zinc/13/75/16/541137516.db2.gz DNNMQVNVFZFQJP-DOMZBBRYSA-N 2 0 258.365 2.958 20 0 CFADRP CCC([NH3+])(CC)C[NH2+]Cc1ccnc2ccccc12 ZINC000666753619 541139375 /nfs/dbraw/zinc/13/93/75/541139375.db2.gz FKIKPNRPZYHLEN-UHFFFAOYSA-N 2 0 257.381 2.842 20 0 CFADRP Clc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950703 541165255 /nfs/dbraw/zinc/16/52/55/541165255.db2.gz BPYGFHPBXZIWJO-CYBMUJFWSA-N 2 0 250.773 2.572 20 0 CFADRP Brc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950935 541165345 /nfs/dbraw/zinc/16/53/45/541165345.db2.gz RGNPHQCYOOYYIW-ZDUSSCGKSA-N 2 0 295.224 2.681 20 0 CFADRP FC(F)COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952102 541166026 /nfs/dbraw/zinc/16/60/26/541166026.db2.gz FYJJMIHSKLWFRW-AWEZNQCLSA-N 2 0 296.361 2.562 20 0 CFADRP FC(F)Oc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952421 541166028 /nfs/dbraw/zinc/16/60/28/541166028.db2.gz VWMIKCMYYBWQOJ-CYBMUJFWSA-N 2 0 282.334 2.520 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953561 541166426 /nfs/dbraw/zinc/16/64/26/541166426.db2.gz BCSMWHDWKZKPLH-GDBMZVCRSA-N 2 0 258.409 2.658 20 0 CFADRP CCCc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666953624 541166542 /nfs/dbraw/zinc/16/65/42/541166542.db2.gz CHZFLCKWZCRFOE-MRXNPFEDSA-N 2 0 258.409 2.871 20 0 CFADRP Clc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)C2 ZINC000666954185 541166563 /nfs/dbraw/zinc/16/65/63/541166563.db2.gz RGCBGYJLEAFBIJ-LSDHHAIUSA-N 2 0 276.811 2.539 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666901577 541158093 /nfs/dbraw/zinc/15/80/93/541158093.db2.gz LQVXBBOKSXFZFS-CZUORRHYSA-N 2 0 274.408 2.530 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1)C[NH+](C)C ZINC000425941334 239140673 /nfs/dbraw/zinc/14/06/73/239140673.db2.gz JUYOSFDYZKLHHG-KGLIPLIRSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H](C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(C)(C)C ZINC000667042278 541178715 /nfs/dbraw/zinc/17/87/15/541178715.db2.gz SEMMHZQSRLFWQR-BMFZPTHFSA-N 2 0 282.472 2.887 20 0 CFADRP Cc1ccnc(C)c1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000667063071 541181194 /nfs/dbraw/zinc/18/11/94/541181194.db2.gz WELBSGRRNFGGPZ-CYBMUJFWSA-N 2 0 290.411 2.693 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCN(C)C(C)C)cc1O ZINC000426417588 239219637 /nfs/dbraw/zinc/21/96/37/239219637.db2.gz BPDIOTCEYGLPJH-AWEZNQCLSA-N 2 0 294.439 2.652 20 0 CFADRP CCCC[N@H+](CC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667473942 541239881 /nfs/dbraw/zinc/23/98/81/541239881.db2.gz ZQASVYRNTDSKPP-UHFFFAOYSA-N 2 0 258.369 2.889 20 0 CFADRP CC[C@@H](C)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667529732 541249775 /nfs/dbraw/zinc/24/97/75/541249775.db2.gz AVMBGVAUJAFKSC-CYBMUJFWSA-N 2 0 258.369 2.745 20 0 CFADRP COc1cccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000319115432 541253754 /nfs/dbraw/zinc/25/37/54/541253754.db2.gz HLZHMASXCBWZFW-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP C[NH+](C)C[C@@H]1CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC000667628410 541272897 /nfs/dbraw/zinc/27/28/97/541272897.db2.gz DXKSYYQREXPIGQ-ZDUSSCGKSA-N 2 0 292.398 2.750 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667787675 541315176 /nfs/dbraw/zinc/31/51/76/541315176.db2.gz XLAAEOZUBFAPNU-MVJTYMMSSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)cc2)n1 ZINC000430622389 239786559 /nfs/dbraw/zinc/78/65/59/239786559.db2.gz LKYJBJMODLLBKQ-UHFFFAOYSA-N 2 0 298.434 2.660 20 0 CFADRP CC(C)[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000432814733 240048339 /nfs/dbraw/zinc/04/83/39/240048339.db2.gz XOZZLYREBPLCRR-FUHWJXTLSA-N 2 0 296.499 2.980 20 0 CFADRP CC(C)[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000432814732 240050099 /nfs/dbraw/zinc/05/00/99/240050099.db2.gz XOZZLYREBPLCRR-AEFFLSMTSA-N 2 0 296.499 2.980 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000668159166 541390003 /nfs/dbraw/zinc/39/00/03/541390003.db2.gz MJUJDBMESUQNRW-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP COc1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1F ZINC000192944437 541409665 /nfs/dbraw/zinc/40/96/65/541409665.db2.gz YEQGZHPISDUWCW-UHFFFAOYSA-N 2 0 294.414 2.998 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435378929 240306790 /nfs/dbraw/zinc/30/67/90/240306790.db2.gz HAYKMOQINTUPCQ-MRXNPFEDSA-N 2 0 274.408 2.586 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435378446 240307037 /nfs/dbraw/zinc/30/70/37/240307037.db2.gz ILNQQDCIXJYSEO-XBVQOTNRSA-N 2 0 258.409 2.534 20 0 CFADRP CCSc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000435388511 240309145 /nfs/dbraw/zinc/30/91/45/240309145.db2.gz GCYWXGVUOLNWQT-UHFFFAOYSA-N 2 0 264.438 2.982 20 0 CFADRP CC[N@H+](Cc1ccc2c(c1)ncn2C)[C@H]1CCC[NH2+]CC1 ZINC000435382544 240309841 /nfs/dbraw/zinc/30/98/41/240309841.db2.gz DRIAJGADELPMOT-HNNXBMFYSA-N 2 0 286.423 2.537 20 0 CFADRP CC[N@H+](CCOc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435623889 240331209 /nfs/dbraw/zinc/33/12/09/240331209.db2.gz HVCGUEBYBXGNQB-OAHLLOKOSA-N 2 0 280.387 2.669 20 0 CFADRP C[N@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435434660 240314844 /nfs/dbraw/zinc/31/48/44/240314844.db2.gz ZGXGYQRHELHSQO-CYBMUJFWSA-N 2 0 290.436 2.508 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442926101 241019991 /nfs/dbraw/zinc/01/99/91/241019991.db2.gz XTHNEOPKIXHQDD-OAHLLOKOSA-N 2 0 298.434 2.946 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000442924786 241021088 /nfs/dbraw/zinc/02/10/88/241021088.db2.gz YTTRPDRDVZBLQB-HNNXBMFYSA-N 2 0 276.424 2.873 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443987464 241102671 /nfs/dbraw/zinc/10/26/71/241102671.db2.gz JNPNHPKKIOHKPY-UHFFFAOYSA-N 2 0 291.342 2.513 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000444610559 241154118 /nfs/dbraw/zinc/15/41/18/241154118.db2.gz PTCSTHPKLFVMOR-DLBZAZTESA-N 2 0 280.456 2.611 20 0 CFADRP COC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCCC1 ZINC000446757820 241324108 /nfs/dbraw/zinc/32/41/08/241324108.db2.gz WSLWSGUEGZWNIF-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(N(C)C)c2)[C@H](C)C1 ZINC000673716450 541507428 /nfs/dbraw/zinc/50/74/28/541507428.db2.gz XPXHZLAYMKRWNG-CRAIPNDOSA-N 2 0 289.467 2.915 20 0 CFADRP CC(C)Cn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cn1 ZINC000446885612 241335518 /nfs/dbraw/zinc/33/55/18/241335518.db2.gz YEWFLNIZKMPQHJ-UHFFFAOYSA-N 2 0 290.455 2.503 20 0 CFADRP CC[C@H]([NH2+]CCN1CCCC(C)(C)C1)[C@H]1CCOC1 ZINC000447577643 241387829 /nfs/dbraw/zinc/38/78/29/241387829.db2.gz IOTANSZOVSAAMX-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc(C)c1F ZINC000447590505 241389361 /nfs/dbraw/zinc/38/93/61/241389361.db2.gz CXWGJEMRUDBGHU-CQSZACIVSA-N 2 0 282.403 2.671 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601848 241391235 /nfs/dbraw/zinc/39/12/35/241391235.db2.gz RMMVAXGSMCRSJN-DYVFJYSZSA-N 2 0 294.414 2.617 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000449180264 241748627 /nfs/dbraw/zinc/74/86/27/241748627.db2.gz ZHFOIKDCAMLTDH-YQQAZPJKSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000251438682 299369562 /nfs/dbraw/zinc/36/95/62/299369562.db2.gz AGRQKKAZQWZOPM-FPMFFAJLSA-N 2 0 276.380 2.583 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449626255 242072677 /nfs/dbraw/zinc/07/26/77/242072677.db2.gz PJUVQAYTRRVYLT-YIYPIFLZSA-N 2 0 280.437 2.508 20 0 CFADRP CC(C)Cn1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000449528753 242005287 /nfs/dbraw/zinc/00/52/87/242005287.db2.gz RSLAZNGCNLMBLJ-UHFFFAOYSA-N 2 0 280.460 2.749 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)[C@H](C)C1 ZINC000449738959 242126876 /nfs/dbraw/zinc/12/68/76/242126876.db2.gz HIZDHJUGFJYNSV-HUUCEWRRSA-N 2 0 282.472 2.638 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCC[NH2+]C1 ZINC000423342587 291389984 /nfs/dbraw/zinc/38/99/84/291389984.db2.gz NHJUGCJCDYYURG-TWMKSMIVSA-N 2 0 280.456 2.561 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOC(C)(C)C)C1 ZINC000674909805 541605562 /nfs/dbraw/zinc/60/55/62/541605562.db2.gz SUOGZBWRUOUCOP-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP CCc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)cc[nH+]1 ZINC000450246705 242324390 /nfs/dbraw/zinc/32/43/90/242324390.db2.gz LDONLYNCQLPRID-HNNXBMFYSA-N 2 0 275.421 2.842 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1N(C)C ZINC000423399174 299378333 /nfs/dbraw/zinc/37/83/33/299378333.db2.gz USJYSVBOGUBWKG-BFHYXJOUSA-N 2 0 261.413 2.673 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)C12CC3CC(CC(C3)C1)C2 ZINC000038040486 296115388 /nfs/dbraw/zinc/11/53/88/296115388.db2.gz FCBMZVNOIJIBEY-JISDDCRVSA-N 2 0 262.441 2.933 20 0 CFADRP COCC[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267968780 541653292 /nfs/dbraw/zinc/65/32/92/541653292.db2.gz BAGLPZJBWTWBNJ-FUHWJXTLSA-N 2 0 290.451 2.865 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1 ZINC000675644674 541675588 /nfs/dbraw/zinc/67/55/88/541675588.db2.gz BBFCLKOAOMUIMS-CQSZACIVSA-N 2 0 298.377 2.904 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000340184239 296123390 /nfs/dbraw/zinc/12/33/90/296123390.db2.gz RIFDXEOQJJJNHI-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000453059339 243380791 /nfs/dbraw/zinc/38/07/91/243380791.db2.gz MRAHPVUTVZPJFI-HZPDHXFCSA-N 2 0 290.455 2.509 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000453081041 243393935 /nfs/dbraw/zinc/39/39/35/243393935.db2.gz DUWWEBRCGDDEMH-LSDHHAIUSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)c1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)on1 ZINC000675882209 541702903 /nfs/dbraw/zinc/70/29/03/541702903.db2.gz FXABNRNQSDLHCU-LBPRGKRZSA-N 2 0 265.401 2.618 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCC1 ZINC000453089650 243396134 /nfs/dbraw/zinc/39/61/34/243396134.db2.gz BIYREPYBNQMRPR-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP CCC[C@]1(COC)CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414757532 284084662 /nfs/dbraw/zinc/08/46/62/284084662.db2.gz SSJBIICQJFWJQI-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2F)C1)C1C[NH2+]C1 ZINC000423093561 299394970 /nfs/dbraw/zinc/39/49/70/299394970.db2.gz HYZZFPRFZAKEQP-SGMGOOAPSA-N 2 0 262.372 2.659 20 0 CFADRP O[C@H](C[NH2+][C@@H](c1ccccc1)C1CCC1)C[NH+]1CCCC1 ZINC000676702056 541778632 /nfs/dbraw/zinc/77/86/32/541778632.db2.gz PEBMZJNMVYMFJW-MSOLQXFVSA-N 2 0 288.435 2.574 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000676716798 541782159 /nfs/dbraw/zinc/78/21/59/541782159.db2.gz XPTSXWLHPBSGOB-BZUAXINKSA-N 2 0 282.472 2.996 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228471135 189792253 /nfs/dbraw/zinc/79/22/53/189792253.db2.gz FNNOMFFWFLHRPV-GUDXXQAFSA-N 2 0 274.408 2.815 20 0 CFADRP CC(C)(C[NH2+]Cc1cccc2nccn21)C[NH+]1CCCC1 ZINC000276604848 193397877 /nfs/dbraw/zinc/39/78/77/193397877.db2.gz CZGZZFPZTCEXKW-UHFFFAOYSA-N 2 0 286.423 2.546 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000459426307 245175205 /nfs/dbraw/zinc/17/52/05/245175205.db2.gz NUGSIRMHFPFHGG-HJWJTTGWSA-N 2 0 258.409 2.862 20 0 CFADRP CC(C)OC1CC([N@H+](C)CCCN(C)Cc2ccco2)C1 ZINC000459477191 245193415 /nfs/dbraw/zinc/19/34/15/245193415.db2.gz FVNXYQPCQYHOKX-UHFFFAOYSA-N 2 0 294.439 2.989 20 0 CFADRP CCn1ccnc1[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459565978 245218986 /nfs/dbraw/zinc/21/89/86/245218986.db2.gz GQLWNXBXOPDCPG-AWEZNQCLSA-N 2 0 299.422 2.618 20 0 CFADRP CN(C)Cc1cnc(CN2CC(C3CCCC3)C2)s1 ZINC000459616909 245242582 /nfs/dbraw/zinc/24/25/82/245242582.db2.gz QSVODCHYXDMIMX-UHFFFAOYSA-N 2 0 279.453 2.827 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000459728595 245288468 /nfs/dbraw/zinc/28/84/68/245288468.db2.gz IKRHLMAANVJKLO-NSHDSACASA-N 2 0 286.341 2.925 20 0 CFADRP c1ccc2c(c1)CCCN2CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677237903 541837917 /nfs/dbraw/zinc/83/79/17/541837917.db2.gz QITHRVXLQSYHPE-ZWKOTPCHSA-N 2 0 299.462 2.656 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459740998 245296603 /nfs/dbraw/zinc/29/66/03/245296603.db2.gz UUJJYUQBURMHPI-HOTGVXAUSA-N 2 0 290.451 2.948 20 0 CFADRP CCc1nc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000459743910 245298971 /nfs/dbraw/zinc/29/89/71/245298971.db2.gz XFSJRYNWXZFPQA-LBPRGKRZSA-N 2 0 267.442 2.527 20 0 CFADRP Cc1cc(NC2CC[NH+](C)CC2)ccc1C[NH+](C)C ZINC000459763488 245312400 /nfs/dbraw/zinc/31/24/00/245312400.db2.gz OEHHYKOMRIIJHE-UHFFFAOYSA-N 2 0 261.413 2.563 20 0 CFADRP Cc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1F ZINC000459800354 245334307 /nfs/dbraw/zinc/33/43/07/245334307.db2.gz ZSFPPCXXTJBDPG-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C2CCCCC2)n1 ZINC000331926517 204302458 /nfs/dbraw/zinc/30/24/58/204302458.db2.gz QCNQODYJGOAXFW-HZPDHXFCSA-N 2 0 290.455 2.827 20 0 CFADRP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000422816709 294673377 /nfs/dbraw/zinc/67/33/77/294673377.db2.gz FVPCEWOQGGXEAU-ZYHUDNBSSA-N 2 0 264.335 2.697 20 0 CFADRP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000422941459 299428777 /nfs/dbraw/zinc/42/87/77/299428777.db2.gz OOSCBRFBBVJIEX-YLQAJVPDSA-N 2 0 272.392 2.630 20 0 CFADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C(C)C ZINC000034658980 372513136 /nfs/dbraw/zinc/51/31/36/372513136.db2.gz YREIVIDXYAXRDP-UHFFFAOYSA-N 2 0 264.413 2.905 20 0 CFADRP CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000034819716 372514356 /nfs/dbraw/zinc/51/43/56/372514356.db2.gz AIRDEYNROYJVCX-ZDUSSCGKSA-N 2 0 250.386 2.688 20 0 CFADRP C[NH+](C)CCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036842659 372601259 /nfs/dbraw/zinc/60/12/59/372601259.db2.gz IDHSRJHZWVMOID-UHFFFAOYSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000036907867 372610526 /nfs/dbraw/zinc/61/05/26/372610526.db2.gz KLLIDNHPTHHTSB-LALPHHSUSA-N 2 0 250.361 2.644 20 0 CFADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037042957 372640945 /nfs/dbraw/zinc/64/09/45/372640945.db2.gz IOYRPKPJUFKXMI-OAHLLOKOSA-N 2 0 277.412 2.594 20 0 CFADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000037374239 372664900 /nfs/dbraw/zinc/66/49/00/372664900.db2.gz YEYLFJYCMZDDIM-CQSZACIVSA-N 2 0 282.391 2.796 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000037644047 372678253 /nfs/dbraw/zinc/67/82/53/372678253.db2.gz WABLRMGFPXWJRK-QWHCGFSZSA-N 2 0 250.361 2.818 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000037643984 372678749 /nfs/dbraw/zinc/67/87/49/372678749.db2.gz DATQJHHNHDBYCN-ZDUSSCGKSA-N 2 0 252.789 2.771 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3cccnc32)C1 ZINC000037644234 372680658 /nfs/dbraw/zinc/68/06/58/372680658.db2.gz LQEFMQNYODAKFP-AWEZNQCLSA-N 2 0 269.392 2.666 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3ncccc3c2)C1 ZINC000037645061 372681105 /nfs/dbraw/zinc/68/11/05/372681105.db2.gz CNDFYMGRYJNHIV-OAHLLOKOSA-N 2 0 269.392 2.666 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000037644586 372681454 /nfs/dbraw/zinc/68/14/54/372681454.db2.gz ASIKBVJTJOGWNF-LBPRGKRZSA-N 2 0 290.436 2.570 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000037644353 372682316 /nfs/dbraw/zinc/68/23/16/372682316.db2.gz VFZQARQCNFURBT-XXXXFFMBSA-N 2 0 262.441 2.743 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccs1 ZINC000037649294 372685287 /nfs/dbraw/zinc/68/52/87/372685287.db2.gz DPWSGHMEOMACHW-NEPJUHHUSA-N 2 0 250.411 2.883 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649108 372685478 /nfs/dbraw/zinc/68/54/78/372685478.db2.gz ZQSNJFWOCBAGEP-ZIAGYGMSSA-N 2 0 274.408 2.830 20 0 CFADRP CCc1noc(C2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000333117911 205044500 /nfs/dbraw/zinc/04/45/00/205044500.db2.gz HSMICUUXTXLOIO-YIOUJQMASA-N 2 0 292.427 2.518 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000041665315 372856646 /nfs/dbraw/zinc/85/66/46/372856646.db2.gz UIADQDMAUZSSTF-OFQRWUPVSA-N 2 0 276.424 2.715 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000042895820 372966628 /nfs/dbraw/zinc/96/66/28/372966628.db2.gz CEQJLBICVIDXJM-YQQAZPJKSA-N 2 0 276.424 2.692 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000045663423 373026497 /nfs/dbraw/zinc/02/64/97/373026497.db2.gz LXMGXUVFJQMBDK-ZDUSSCGKSA-N 2 0 250.386 2.688 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000045598405 373023433 /nfs/dbraw/zinc/02/34/33/373023433.db2.gz GWCOHZBMRNVQCR-UHFFFAOYSA-N 2 0 298.814 2.543 20 0 CFADRP C[C@@H](C[NH2+]C/C=C/c1ccncc1)C[NH+]1CCCCC1 ZINC000486927152 245704570 /nfs/dbraw/zinc/70/45/70/245704570.db2.gz KQJPNCUURCASCF-JFDDCEBESA-N 2 0 273.424 2.806 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccsc1 ZINC000050343565 373370309 /nfs/dbraw/zinc/37/03/09/373370309.db2.gz GXHYRLRKYIFOHD-NEPJUHHUSA-N 2 0 250.411 2.883 20 0 CFADRP Cc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000051575026 373400892 /nfs/dbraw/zinc/40/08/92/373400892.db2.gz QGDPOQZBHZXIHD-UHFFFAOYSA-N 2 0 282.391 2.544 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)COC ZINC000053172522 373468137 /nfs/dbraw/zinc/46/81/37/373468137.db2.gz QMSMDPXOEJJUBA-CQSZACIVSA-N 2 0 264.413 2.653 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CS1 ZINC000488449625 245861949 /nfs/dbraw/zinc/86/19/49/245861949.db2.gz PSMGXUPMPJZWQG-CABCVRRESA-N 2 0 270.486 2.838 20 0 CFADRP [NH3+]CCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000057626495 373603175 /nfs/dbraw/zinc/60/31/75/373603175.db2.gz QPKQDSCCZHBRTH-UHFFFAOYSA-N 2 0 297.240 2.977 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000057993936 373620282 /nfs/dbraw/zinc/62/02/82/373620282.db2.gz GDLOEUMNUIZJRA-CQSZACIVSA-N 2 0 262.397 2.517 20 0 CFADRP Cc1c[nH+]ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000192522853 220226229 /nfs/dbraw/zinc/22/62/29/220226229.db2.gz QPBWSJSUXAVTEJ-UHFFFAOYSA-N 2 0 273.405 2.922 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)s1 ZINC000062841836 373767181 /nfs/dbraw/zinc/76/71/81/373767181.db2.gz JHTKQYGEMASOLY-JTQLQIEISA-N 2 0 267.442 2.800 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000063159148 373788556 /nfs/dbraw/zinc/78/85/56/373788556.db2.gz SAVXMLFMOONXAW-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200985 373797054 /nfs/dbraw/zinc/79/70/54/373797054.db2.gz VEHYZXJELJRQKH-KRWDZBQOSA-N 2 0 288.435 2.968 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000070158187 374130734 /nfs/dbraw/zinc/13/07/34/374130734.db2.gz ASUFOFDVTBNDES-LLVKDONJSA-N 2 0 254.324 2.526 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000070170550 374135170 /nfs/dbraw/zinc/13/51/70/374135170.db2.gz WEYJFNMCPSMBRO-LBPRGKRZSA-N 2 0 275.421 2.857 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000070170549 374135463 /nfs/dbraw/zinc/13/54/63/374135463.db2.gz WEYJFNMCPSMBRO-GFCCVEGCSA-N 2 0 275.421 2.857 20 0 CFADRP CCCc1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000070170975 374135639 /nfs/dbraw/zinc/13/56/39/374135639.db2.gz RNMMHJCXESKJIG-LBPRGKRZSA-N 2 0 267.442 2.656 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000070174576 374141601 /nfs/dbraw/zinc/14/16/01/374141601.db2.gz IJZLFNVDAHADJG-ZIAGYGMSSA-N 2 0 292.423 2.571 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000070174199 374141958 /nfs/dbraw/zinc/14/19/58/374141958.db2.gz BAEURWVHXHALOB-STQMWFEESA-N 2 0 282.815 2.778 20 0 CFADRP Clc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)s1 ZINC000070600380 374198725 /nfs/dbraw/zinc/19/87/25/374198725.db2.gz CKKYJEOZXUOMFQ-SNVBAGLBSA-N 2 0 258.818 2.881 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070975976 374209198 /nfs/dbraw/zinc/20/91/98/374209198.db2.gz RJRZZQIPOIIKRN-CYBMUJFWSA-N 2 0 257.381 2.599 20 0 CFADRP CC(C)CCn1cccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491590908 246083952 /nfs/dbraw/zinc/08/39/52/246083952.db2.gz FSUIJXMJFKLWIV-OAHLLOKOSA-N 2 0 265.445 2.822 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000334147346 206083630 /nfs/dbraw/zinc/08/36/30/206083630.db2.gz UBLVLVAQPGXJGQ-CQSZACIVSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086402206 374804171 /nfs/dbraw/zinc/80/41/71/374804171.db2.gz PCMVEXLSLLHCOE-QWHCGFSZSA-N 2 0 283.213 2.809 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816278 374831255 /nfs/dbraw/zinc/83/12/55/374831255.db2.gz FWBPCEVGDIQOQD-HNNXBMFYSA-N 2 0 257.381 2.874 20 0 CFADRP C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678260141 541986528 /nfs/dbraw/zinc/98/65/28/541986528.db2.gz RLGKRQVULWNTLN-CQSZACIVSA-N 2 0 262.397 2.611 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000089140168 374873508 /nfs/dbraw/zinc/87/35/08/374873508.db2.gz BGZLBXNTCDMZBH-CABCVRRESA-N 2 0 286.423 2.534 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000089150563 374875005 /nfs/dbraw/zinc/87/50/05/374875005.db2.gz PXZWKTKMVULPEM-GXFFZTMASA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089147659 374875091 /nfs/dbraw/zinc/87/50/91/374875091.db2.gz XATZLTBNQNEHGO-JSGCOSHPSA-N 2 0 252.789 2.600 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1Cl ZINC000089749207 374944636 /nfs/dbraw/zinc/94/46/36/374944636.db2.gz HSIQTCIRRJOHMD-GFCCVEGCSA-N 2 0 252.789 2.771 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)CC[N@@H+]1C ZINC000090721614 375024724 /nfs/dbraw/zinc/02/47/24/375024724.db2.gz AFMKUGNNSUPJFG-DGCLKSJQSA-N 2 0 290.436 2.711 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090721256 375025180 /nfs/dbraw/zinc/02/51/80/375025180.db2.gz HSSHOBDFQIQJIK-TZMCWYRMSA-N 2 0 264.438 2.981 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1C ZINC000090720622 375025447 /nfs/dbraw/zinc/02/54/47/375025447.db2.gz UDVHLHRTDFYFMB-XJKSGUPXSA-N 2 0 284.407 2.649 20 0 CFADRP CC(C)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000091334829 375047797 /nfs/dbraw/zinc/04/77/97/375047797.db2.gz DDKOIRWJQCIUAB-AEFFLSMTSA-N 2 0 289.467 2.609 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2nccs2)CC1 ZINC000091729223 375059719 /nfs/dbraw/zinc/05/97/19/375059719.db2.gz XPDZDHXEUFCFGH-GFCCVEGCSA-N 2 0 267.442 2.916 20 0 CFADRP CC1=CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678269859 541992021 /nfs/dbraw/zinc/99/20/21/541992021.db2.gz LRMJYWRTEOBPNR-UHFFFAOYSA-N 2 0 274.408 2.779 20 0 CFADRP C[C@H]1CCC[C@@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000092561542 375123214 /nfs/dbraw/zinc/12/32/14/375123214.db2.gz YTVFBWOGXQORFW-JKSUJKDBSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000092565107 375125189 /nfs/dbraw/zinc/12/51/89/375125189.db2.gz JJDYNBPAUYXCQB-AEFFLSMTSA-N 2 0 295.515 2.676 20 0 CFADRP COCC(C)(C)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000494360314 246770236 /nfs/dbraw/zinc/77/02/36/246770236.db2.gz VUUAVMRYUAODRO-UHFFFAOYSA-N 2 0 264.413 2.510 20 0 CFADRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCCC1 ZINC000093452676 375244102 /nfs/dbraw/zinc/24/41/02/375244102.db2.gz VZFNARHWBBHASO-ZJPYXAASSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1F ZINC000093088919 375185388 /nfs/dbraw/zinc/18/53/88/375185388.db2.gz WTRLTDXCNXBOBL-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP c1coc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093488741 375254532 /nfs/dbraw/zinc/25/45/32/375254532.db2.gz LBDDJZFTODPLAT-HRCADAONSA-N 2 0 262.397 2.723 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccccn1 ZINC000093495944 375254830 /nfs/dbraw/zinc/25/48/30/375254830.db2.gz UQLIWFHMFYUPCP-GDBMZVCRSA-N 2 0 261.413 2.525 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccco1 ZINC000093514814 375261513 /nfs/dbraw/zinc/26/15/13/375261513.db2.gz NIQMBGZQBPKJEN-KBPBESRZSA-N 2 0 250.386 2.723 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000093513886 375261972 /nfs/dbraw/zinc/26/19/72/375261972.db2.gz WFRWLIDYYKZGQV-RDJZCZTQSA-N 2 0 281.488 2.761 20 0 CFADRP CCCCOCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515924 375262401 /nfs/dbraw/zinc/26/24/01/375262401.db2.gz LXCBDKFHMSPYKN-CABCVRRESA-N 2 0 256.434 2.704 20 0 CFADRP COc1ccc([C@H](C)[N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000094010585 375335126 /nfs/dbraw/zinc/33/51/26/375335126.db2.gz TUAHHYOAKHUYMK-ZDUSSCGKSA-N 2 0 262.397 2.688 20 0 CFADRP CC[N@@H+](Cc1ccc(OC)cc1)CC1CC[NH2+]CC1 ZINC000094011462 375335379 /nfs/dbraw/zinc/33/53/79/375335379.db2.gz NHPUXJPDMOLUOG-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338830 375352366 /nfs/dbraw/zinc/35/23/66/375352366.db2.gz BLRILDUIRYLUDD-BYCMXARLSA-N 2 0 250.361 2.946 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000094422323 375358389 /nfs/dbraw/zinc/35/83/89/375358389.db2.gz HZZHGPZHBJQRPO-GFCCVEGCSA-N 2 0 256.434 2.510 20 0 CFADRP Cc1cscc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000094877471 375386686 /nfs/dbraw/zinc/38/66/86/375386686.db2.gz CHSZAMKFZUFQEP-ZKYQVNSYSA-N 2 0 252.427 2.875 20 0 CFADRP C[NH2+]CCC[N@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000097862682 375586687 /nfs/dbraw/zinc/58/66/87/375586687.db2.gz LBOOHEQUHJKPFC-UHFFFAOYSA-N 2 0 257.381 2.585 20 0 CFADRP CSc1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccn1 ZINC000678547631 542040217 /nfs/dbraw/zinc/04/02/17/542040217.db2.gz HFBYYZCSKMLJAC-LBPRGKRZSA-N 2 0 279.453 2.623 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000678599606 542049247 /nfs/dbraw/zinc/04/92/47/542049247.db2.gz YXANKJVINRZLNQ-BZUAXINKSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@H](C)C1 ZINC000678597632 542049547 /nfs/dbraw/zinc/04/95/47/542049547.db2.gz FZIRDFJBTCRRTA-PMPSAXMXSA-N 2 0 282.472 2.902 20 0 CFADRP c1csc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000678611755 542054556 /nfs/dbraw/zinc/05/45/56/542054556.db2.gz KIWYFQPZMZXNOM-UONOGXRCSA-N 2 0 264.438 2.897 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCc2cccc(F)c2F)CC1 ZINC000678773116 542067943 /nfs/dbraw/zinc/06/79/43/542067943.db2.gz JXUYDNFZLOKXOL-UHFFFAOYSA-N 2 0 282.378 2.971 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000645493835 383711909 /nfs/dbraw/zinc/71/19/09/383711909.db2.gz GXRAESRXYFGDSP-CYBMUJFWSA-N 2 0 264.417 2.635 20 0 CFADRP COCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113933860 376040485 /nfs/dbraw/zinc/04/04/85/376040485.db2.gz CEGPUFFQRUNYEN-HZPDHXFCSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000645494375 383712248 /nfs/dbraw/zinc/71/22/48/383712248.db2.gz SSUQXUIXXHUDIW-INIZCTEOSA-N 3 0 281.488 2.572 20 0 CFADRP CCCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000118001552 376270567 /nfs/dbraw/zinc/27/05/67/376270567.db2.gz KXFXPKGPEJRBAQ-IAGOWNOFSA-N 2 0 281.488 2.667 20 0 CFADRP C[C@H](C[NH2+][C@H](C)C1CCOCC1)N1CCC(C)CC1 ZINC000119065524 376346843 /nfs/dbraw/zinc/34/68/43/376346843.db2.gz BQASYFTYIMMXSV-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2Cl)CC[N@@H+]1C ZINC000119439228 376413731 /nfs/dbraw/zinc/41/37/31/376413731.db2.gz ILKWLQDHWFNDMB-TZMCWYRMSA-N 2 0 266.816 2.955 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000119450142 376417003 /nfs/dbraw/zinc/41/70/03/376417003.db2.gz TZTBTLMGLROBBP-WFASDCNBSA-N 2 0 266.816 2.812 20 0 CFADRP CCC(CC)C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000120346633 376597264 /nfs/dbraw/zinc/59/72/64/376597264.db2.gz NZOQTNYGPSWBIZ-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](C)c2nccs2)CC1 ZINC000120571600 376643057 /nfs/dbraw/zinc/64/30/57/376643057.db2.gz PNHYJPOVNQDJJC-GFCCVEGCSA-N 2 0 267.442 2.711 20 0 CFADRP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000121068874 376754953 /nfs/dbraw/zinc/75/49/53/376754953.db2.gz VPRSRAOSKDJCNS-DLBZAZTESA-N 2 0 289.467 2.529 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2nc3c(s2)CCCC3)C1 ZINC000678992956 542106493 /nfs/dbraw/zinc/10/64/93/542106493.db2.gz RPFSKTQXVZUHNZ-ZDUSSCGKSA-N 2 0 293.480 2.796 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000678992638 542106584 /nfs/dbraw/zinc/10/65/84/542106584.db2.gz MSEKDPLGUZCMLS-OLZOCXBDSA-N 2 0 293.480 2.936 20 0 CFADRP FC1(F)CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000679072384 542114093 /nfs/dbraw/zinc/11/40/93/542114093.db2.gz UBYINJFBLQTVNU-CYBMUJFWSA-N 2 0 258.356 2.638 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCCO1 ZINC000679092673 542119778 /nfs/dbraw/zinc/11/97/78/542119778.db2.gz QQUDUBWGXZYRJP-WMLDXEAASA-N 2 0 280.456 2.941 20 0 CFADRP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000679090635 542120107 /nfs/dbraw/zinc/12/01/07/542120107.db2.gz FRTRLSZNBWETOS-BHYGNILZSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000121511270 376847528 /nfs/dbraw/zinc/84/75/28/376847528.db2.gz WMHUWAPVGPDEGG-CJNGLKHVSA-N 2 0 266.429 2.551 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000186902951 284604964 /nfs/dbraw/zinc/60/49/64/284604964.db2.gz GYAJSZCBJGPJPS-CYBMUJFWSA-N 2 0 258.475 2.840 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000121667521 376879894 /nfs/dbraw/zinc/87/98/94/376879894.db2.gz HXQHPRWWJZJGFY-UKRRQHHQSA-N 2 0 280.387 2.667 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000121687117 376883988 /nfs/dbraw/zinc/88/39/88/376883988.db2.gz AXKXUEXYNNWJSF-BBWFWOEESA-N 2 0 292.467 2.656 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000122323284 376924384 /nfs/dbraw/zinc/92/43/84/376924384.db2.gz PJZSSKRGDIPAKB-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1F ZINC000123652301 376964372 /nfs/dbraw/zinc/96/43/72/376964372.db2.gz XDUHKTHOCODEHO-AWEZNQCLSA-N 2 0 268.376 2.640 20 0 CFADRP COc1ccc2oc(C[NH2+]CC3CC[NH+](C)CC3)cc2c1 ZINC000125016071 377110650 /nfs/dbraw/zinc/11/06/50/377110650.db2.gz KQGDOIFZIVHTKH-UHFFFAOYSA-N 2 0 288.391 2.873 20 0 CFADRP CCCOc1cccc(CN(C)CCC[NH2+]C)c1 ZINC000124782419 377088166 /nfs/dbraw/zinc/08/81/66/377088166.db2.gz KCVPYFGWRJCXQA-UHFFFAOYSA-N 2 0 250.386 2.517 20 0 CFADRP CC[NH+]1CCC(N(C)Cc2cnc3cc(C)ccn23)CC1 ZINC000125232249 377130848 /nfs/dbraw/zinc/13/08/48/377130848.db2.gz BDIFRPFIPLSMTL-UHFFFAOYSA-N 2 0 286.423 2.559 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCOC2CCCC2)[C@H](C)C1 ZINC000125252463 377133574 /nfs/dbraw/zinc/13/35/74/377133574.db2.gz CUTIZZGGIPRCEG-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCS1 ZINC000125295665 377138195 /nfs/dbraw/zinc/13/81/95/377138195.db2.gz XOGYTUZIYRDOMM-UONOGXRCSA-N 2 0 256.459 2.544 20 0 CFADRP CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCCCn1ccnc1C ZINC000125525780 377166149 /nfs/dbraw/zinc/16/61/49/377166149.db2.gz WXCIEZXZZYSKLE-HOTGVXAUSA-N 2 0 279.428 2.597 20 0 CFADRP COC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000125972897 377203986 /nfs/dbraw/zinc/20/39/86/377203986.db2.gz LIGMHKCVBNGBGS-UONOGXRCSA-N 2 0 258.450 2.613 20 0 CFADRP C[N@H+](CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000127991337 377312284 /nfs/dbraw/zinc/31/22/84/377312284.db2.gz UHAIBIASMPPMEY-FUHWJXTLSA-N 2 0 293.499 2.857 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000128236558 377325287 /nfs/dbraw/zinc/32/52/87/377325287.db2.gz BIOOATNRDDSKJY-OAHLLOKOSA-N 2 0 295.496 2.735 20 0 CFADRP CC[C@@H](C)C[C@@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128499176 377340951 /nfs/dbraw/zinc/34/09/51/377340951.db2.gz DIRSXWZOCYFINA-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP C[NH2+]C[C@H]1CCCN1CCCOc1ccc(C)c(C)c1 ZINC000128401460 377335202 /nfs/dbraw/zinc/33/52/02/377335202.db2.gz BNJIVZQUGNDADM-MRXNPFEDSA-N 2 0 276.424 2.756 20 0 CFADRP C1=C(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)COCC1 ZINC000127689495 377296646 /nfs/dbraw/zinc/29/66/46/377296646.db2.gz WYEQMXPJJOVKTO-UHFFFAOYSA-N 2 0 278.440 2.720 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000128985021 377367764 /nfs/dbraw/zinc/36/77/64/377367764.db2.gz AELHNESJJWSBQG-ZNMIVQPWSA-N 2 0 292.423 2.535 20 0 CFADRP CCO[C@@H](C[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000278156747 193847710 /nfs/dbraw/zinc/84/77/10/193847710.db2.gz ACRJWRVFOSXNBV-KRWDZBQOSA-N 2 0 276.424 2.838 20 0 CFADRP Cc1ccc(NC(=O)CN(C)CC[C@@H]([NH3+])C(C)C)cc1C ZINC000128496207 377341985 /nfs/dbraw/zinc/34/19/85/377341985.db2.gz WGQNKFBXHDVLJL-MRXNPFEDSA-N 2 0 291.439 2.547 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128710312 377353021 /nfs/dbraw/zinc/35/30/21/377353021.db2.gz FICXVDNSJSLWAP-SJORKVTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130443006 377559064 /nfs/dbraw/zinc/55/90/64/377559064.db2.gz NLIKBIWGHQXJIX-AWEZNQCLSA-N 2 0 264.413 2.645 20 0 CFADRP C[C@@H]([NH2+]CC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000131116182 377660741 /nfs/dbraw/zinc/66/07/41/377660741.db2.gz QOMLSRRJRTZKGC-CYBMUJFWSA-N 2 0 262.397 2.688 20 0 CFADRP CC[C@@H](NC1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000131289212 377689614 /nfs/dbraw/zinc/68/96/14/377689614.db2.gz VSGYBLIZXOTCSF-CQSZACIVSA-N 2 0 265.376 2.746 20 0 CFADRP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000131438397 377710718 /nfs/dbraw/zinc/71/07/18/377710718.db2.gz UWLWIMVGUBDOMM-UHFFFAOYSA-N 2 0 289.467 2.977 20 0 CFADRP COC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000131916020 377777897 /nfs/dbraw/zinc/77/78/97/377777897.db2.gz MZSQSQWILNPUPN-OFQRWUPVSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000131679781 377747175 /nfs/dbraw/zinc/74/71/75/377747175.db2.gz OBMBTFQMZCOILK-UKRRQHHQSA-N 2 0 262.397 2.643 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753121 383723137 /nfs/dbraw/zinc/72/31/37/383723137.db2.gz YXSBBXGDGFWCRY-YJBOKZPZSA-N 3 0 293.499 2.619 20 0 CFADRP C[C@@H](Cc1ccccc1)C[NH+]1CCC([NH+](C)C)CC1 ZINC000132203838 377815287 /nfs/dbraw/zinc/81/52/87/377815287.db2.gz FZRQPZZUVCSZDC-HNNXBMFYSA-N 2 0 260.425 2.891 20 0 CFADRP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132251362 377818376 /nfs/dbraw/zinc/81/83/76/377818376.db2.gz YEZVVRUMUSHKJQ-AAEUAGOBSA-N 2 0 250.411 2.715 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccccc2)[C@H](C)C1 ZINC000132034566 377794564 /nfs/dbraw/zinc/79/45/64/377794564.db2.gz YQFSNNTXSDEFSH-NVXWUHKLSA-N 2 0 275.440 2.809 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)CC(C)C ZINC000132909117 377886498 /nfs/dbraw/zinc/88/64/98/377886498.db2.gz AQAPHDXNJNMZIE-IKGGRYGDSA-N 2 0 283.504 2.815 20 0 CFADRP CCc1cc(NC[C@@](C)(O)C[NH+](C)C)c2ccccc2[nH+]1 ZINC000133001072 377894237 /nfs/dbraw/zinc/89/42/37/377894237.db2.gz QJMINSQVBQLLOJ-QGZVFWFLSA-N 2 0 287.407 2.522 20 0 CFADRP Cc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1F ZINC000133340564 377923115 /nfs/dbraw/zinc/92/31/15/377923115.db2.gz RGAQEYJPAKXIOI-HNNXBMFYSA-N 2 0 252.377 2.939 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000134413373 378012334 /nfs/dbraw/zinc/01/23/34/378012334.db2.gz POKTWWVBUGHBHA-CJNGLKHVSA-N 2 0 269.392 2.665 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000133932920 377968426 /nfs/dbraw/zinc/96/84/26/377968426.db2.gz AMNZIOZXJVVPIB-AWEZNQCLSA-N 2 0 256.459 2.735 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000134174571 377989658 /nfs/dbraw/zinc/98/96/58/377989658.db2.gz ZVSYRWRBQDRUPW-KZNAEPCWSA-N 2 0 294.483 2.661 20 0 CFADRP Cn1ccnc1CC1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000134957407 378069054 /nfs/dbraw/zinc/06/90/54/378069054.db2.gz YUYNYIXQYKRQEF-UHFFFAOYSA-N 2 0 295.390 2.756 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnccc1C ZINC000135431092 378131421 /nfs/dbraw/zinc/13/14/21/378131421.db2.gz CVCPLZTUTOLRQE-OAHLLOKOSA-N 2 0 263.429 2.990 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529536894 383725029 /nfs/dbraw/zinc/72/50/29/383725029.db2.gz AAJKOVZFFKDRJG-GFCCVEGCSA-N 2 0 290.398 2.511 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000136397888 378199356 /nfs/dbraw/zinc/19/93/56/378199356.db2.gz BMRWMXDHEBUAEE-UHFFFAOYSA-N 2 0 294.826 2.706 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000135880891 378166769 /nfs/dbraw/zinc/16/67/69/378166769.db2.gz MHXPFJWWSYQUNQ-ZYHUDNBSSA-N 2 0 272.314 2.875 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000151629468 378343484 /nfs/dbraw/zinc/34/34/84/378343484.db2.gz WFURREWVZQSVCE-WMLDXEAASA-N 2 0 276.424 2.653 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000151105335 378294537 /nfs/dbraw/zinc/29/45/37/378294537.db2.gz QMKQFUFGCBGZPY-RHSMWYFYSA-N 2 0 258.409 2.995 20 0 CFADRP CC[N@H+](CCNC(=O)Nc1ccc(C)nc1C)C(C)C ZINC000152359867 378410591 /nfs/dbraw/zinc/41/05/91/378410591.db2.gz FLCOZXHAMVAMEF-UHFFFAOYSA-N 2 0 278.400 2.550 20 0 CFADRP Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000154512567 378574572 /nfs/dbraw/zinc/57/45/72/378574572.db2.gz NNAMUUUGRKSVKO-WBVHZDCISA-N 2 0 260.425 3.000 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000154533634 378575913 /nfs/dbraw/zinc/57/59/13/378575913.db2.gz ZIEGPPSCFCTDQC-UAGQMJEPSA-N 2 0 282.472 2.780 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000154593324 378583011 /nfs/dbraw/zinc/58/30/11/378583011.db2.gz QOCFLEYOVPMAET-XIRDDKMYSA-N 2 0 282.472 2.780 20 0 CFADRP Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000154890545 378599185 /nfs/dbraw/zinc/59/91/85/378599185.db2.gz KOXQZMZNRKMQKA-SJORKVTESA-N 2 0 289.467 2.590 20 0 CFADRP c1c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc2ccccn12 ZINC000157356838 378653787 /nfs/dbraw/zinc/65/37/87/378653787.db2.gz POCYWWNIYNRBSI-QGZVFWFLSA-N 2 0 298.434 2.785 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000158562850 378669838 /nfs/dbraw/zinc/66/98/38/378669838.db2.gz ACDZZCIGLYUFTE-XMTFNYHQSA-N 3 0 295.515 2.817 20 0 CFADRP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158938691 378676557 /nfs/dbraw/zinc/67/65/57/378676557.db2.gz UZNXAVIXJWYFHN-WBVHZDCISA-N 2 0 274.408 2.611 20 0 CFADRP COc1cccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000158966998 378678576 /nfs/dbraw/zinc/67/85/76/378678576.db2.gz VIHNYJNNJFVFBS-CPUCHLNUSA-N 2 0 276.424 2.556 20 0 CFADRP CCC(CC)(CC)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000679839276 542241415 /nfs/dbraw/zinc/24/14/15/542241415.db2.gz NJVFYCOJROECON-UHFFFAOYSA-N 2 0 270.461 2.905 20 0 CFADRP COc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278498195 194011997 /nfs/dbraw/zinc/01/19/97/194011997.db2.gz NELJWELSQBWVJD-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]Cc2cccn2C)CC1 ZINC000161664352 378864177 /nfs/dbraw/zinc/86/41/77/378864177.db2.gz SNSHKZBDXJKVKC-UHFFFAOYSA-N 2 0 263.429 2.627 20 0 CFADRP Cc1ccc2ncc(C[NH2+]CC3CC[NH+](C4CC4)CC3)n2c1 ZINC000278523557 194026608 /nfs/dbraw/zinc/02/66/08/194026608.db2.gz SNHXLUQTKGDUQL-UHFFFAOYSA-N 2 0 298.434 2.607 20 0 CFADRP COc1ccccc1CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000161896881 378879058 /nfs/dbraw/zinc/87/90/58/378879058.db2.gz PJYYVHHEICELGW-OAHLLOKOSA-N 2 0 276.424 2.511 20 0 CFADRP Cc1ccncc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000162719768 378928276 /nfs/dbraw/zinc/92/82/76/378928276.db2.gz ZNBHFMUTDWRIQA-ZBFHGGJFSA-N 2 0 261.413 2.790 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCNc1ccccn1 ZINC000162868457 378939991 /nfs/dbraw/zinc/93/99/91/378939991.db2.gz OLYICUKUHBCPAI-OWCLPIDISA-N 2 0 290.455 2.592 20 0 CFADRP OCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000162460890 378914388 /nfs/dbraw/zinc/91/43/88/378914388.db2.gz SFBCCTLBEYINHL-QGZVFWFLSA-N 2 0 282.472 2.783 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529568780 383732497 /nfs/dbraw/zinc/73/24/97/383732497.db2.gz GTWCJOOMNCXOQW-CXAGYDPISA-N 2 0 271.408 2.940 20 0 CFADRP COCc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278549167 194039198 /nfs/dbraw/zinc/03/91/98/194039198.db2.gz YVVUYBNCWSAADC-UHFFFAOYSA-N 2 0 288.435 2.797 20 0 CFADRP COc1ccccc1[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000163100357 378954251 /nfs/dbraw/zinc/95/42/51/378954251.db2.gz NUHIRPLWRGWACP-MRXNPFEDSA-N 2 0 288.435 2.970 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000163451966 378973274 /nfs/dbraw/zinc/97/32/74/378973274.db2.gz ASXCWAORHCLUKW-GUYCJALGSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(F)c1)CC[NH2+]CC2 ZINC000335275663 379009165 /nfs/dbraw/zinc/00/91/65/379009165.db2.gz CQGAJRKYTZMVRA-CYBMUJFWSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1csc(C3CC3)n1)CC[NH2+]CC2 ZINC000335275624 379009335 /nfs/dbraw/zinc/00/93/35/379009335.db2.gz COGLSHOGNQDDML-GFCCVEGCSA-N 2 0 291.464 2.985 20 0 CFADRP COc1cccc(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269719 378998283 /nfs/dbraw/zinc/99/82/83/378998283.db2.gz OWFCYRKJLSDCAS-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164626005 379020127 /nfs/dbraw/zinc/02/01/27/379020127.db2.gz KDDFDKXAPMFBCX-SJORKVTESA-N 3 0 281.488 2.572 20 0 CFADRP Cc1cnc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000335299044 379042859 /nfs/dbraw/zinc/04/28/59/379042859.db2.gz DLEBBAUUGVYXKZ-OCCSQVGLSA-N 2 0 263.385 2.508 20 0 CFADRP Cc1cccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cn21 ZINC000335309003 379056935 /nfs/dbraw/zinc/05/69/35/379056935.db2.gz SSJPULIHEIYHDT-KRWDZBQOSA-N 2 0 298.434 2.607 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000165977040 379046775 /nfs/dbraw/zinc/04/67/75/379046775.db2.gz OHPNNJYLZRHFKS-LESCRADOSA-N 2 0 290.451 2.866 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000166053785 379048349 /nfs/dbraw/zinc/04/83/49/379048349.db2.gz QLSJPTOIDZBDMG-KBPBESRZSA-N 2 0 268.401 2.595 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000166022971 379050143 /nfs/dbraw/zinc/05/01/43/379050143.db2.gz IRFBCEOIFWYXDR-FUHWJXTLSA-N 2 0 290.451 2.929 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000166037302 379050166 /nfs/dbraw/zinc/05/01/66/379050166.db2.gz OIZNLSNLVZOULL-CZUORRHYSA-N 2 0 282.403 2.833 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000166426896 379054272 /nfs/dbraw/zinc/05/42/72/379054272.db2.gz DOELNRYTKXTNQE-QGZVFWFLSA-N 2 0 293.430 2.504 20 0 CFADRP CC[C@H]([NH3+])C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000166934936 379065186 /nfs/dbraw/zinc/06/51/86/379065186.db2.gz PBJIIEFLCAOBHE-HNNXBMFYSA-N 2 0 289.423 2.724 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000571872917 383734350 /nfs/dbraw/zinc/73/43/50/383734350.db2.gz OWRIEIXNLGAKRU-AWEZNQCLSA-N 2 0 263.429 2.791 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000278846325 194180854 /nfs/dbraw/zinc/18/08/54/194180854.db2.gz VHBNSHIIXIVBGR-UKRRQHHQSA-N 2 0 282.428 2.904 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1cccc3c1NCC3)CC[NH2+]CC2 ZINC000335544627 296294490 /nfs/dbraw/zinc/29/44/90/296294490.db2.gz UYMFSVVLIYJJLE-CQSZACIVSA-N 2 0 285.435 2.619 20 0 CFADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000335451647 379320374 /nfs/dbraw/zinc/32/03/74/379320374.db2.gz JXCUIVFLOBSJNR-GOEBONIOSA-N 2 0 273.424 2.758 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000334452249 379323345 /nfs/dbraw/zinc/32/33/45/379323345.db2.gz XZRKSFHVMQFIJG-LRDDRELGSA-N 2 0 287.382 2.946 20 0 CFADRP Cc1cnc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000335462213 379337813 /nfs/dbraw/zinc/33/78/13/379337813.db2.gz LORXDYIDJWXWLX-SJLPKXTDSA-N 2 0 287.451 2.657 20 0 CFADRP Cc1cnc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000335462210 379338287 /nfs/dbraw/zinc/33/82/87/379338287.db2.gz LORXDYIDJWXWLX-FUHWJXTLSA-N 2 0 287.451 2.657 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335483266 379378988 /nfs/dbraw/zinc/37/89/88/379378988.db2.gz MBENNVQQYBFYGY-HOTGVXAUSA-N 2 0 262.372 2.803 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000335500126 379408029 /nfs/dbraw/zinc/40/80/29/379408029.db2.gz MRMZNRRPVLZZND-INIZCTEOSA-N 2 0 272.392 2.718 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000335570483 379529990 /nfs/dbraw/zinc/52/99/90/379529990.db2.gz UVVFPFAOLADJME-MRXNPFEDSA-N 2 0 274.408 2.759 20 0 CFADRP CC[N@@H+]1CCCN(C(=O)Nc2c(C)cc(C)nc2C)CC1 ZINC000335590816 379572305 /nfs/dbraw/zinc/57/23/05/379572305.db2.gz UMOJYHXZJVFAQV-UHFFFAOYSA-N 2 0 290.411 2.566 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(C/C=C/c3ccncc3)CC[C@@H]21 ZINC000334644803 379696696 /nfs/dbraw/zinc/69/66/96/379696696.db2.gz MDBQBGFLVHXJAK-BPTRJATKSA-N 2 0 271.408 2.511 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000334644977 379697962 /nfs/dbraw/zinc/69/79/62/379697962.db2.gz SMQBFEWNAZFWAT-LSDHHAIUSA-N 2 0 263.360 2.531 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(CCSC2)C1 ZINC000334651603 379711037 /nfs/dbraw/zinc/71/10/37/379711037.db2.gz BHJVHCZPXVURQL-GJZGRUSLSA-N 2 0 268.470 2.690 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(CCSC2)C1 ZINC000334651605 379711381 /nfs/dbraw/zinc/71/13/81/379711381.db2.gz BHJVHCZPXVURQL-LSDHHAIUSA-N 2 0 268.470 2.690 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)C1 ZINC000432361086 383740848 /nfs/dbraw/zinc/74/08/48/383740848.db2.gz XKWDXYMMJVJYQS-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)C1 ZINC000432361084 383740902 /nfs/dbraw/zinc/74/09/02/383740902.db2.gz XKWDXYMMJVJYQS-BZUAXINKSA-N 2 0 268.445 2.656 20 0 CFADRP c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(-c2ccncc2)c1 ZINC000335772487 379864352 /nfs/dbraw/zinc/86/43/52/379864352.db2.gz BFPSKQGIHLKTQS-OALUTQOASA-N 2 0 293.414 2.932 20 0 CFADRP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174076354 379825224 /nfs/dbraw/zinc/82/52/24/379825224.db2.gz JXMSQRZFTDTGHU-MIGBEJBISA-N 2 0 288.435 2.807 20 0 CFADRP Clc1cccc2c1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000334787641 379922220 /nfs/dbraw/zinc/92/22/20/379922220.db2.gz XGDLYLZOIXYOCO-LBPRGKRZSA-N 2 0 264.800 2.698 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000174354772 379870701 /nfs/dbraw/zinc/87/07/01/379870701.db2.gz QWJXBOKSXGAKKM-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)n1 ZINC000335779872 379874603 /nfs/dbraw/zinc/87/46/03/379874603.db2.gz YZOXRMOCMAYQMU-SCLBCKFNSA-N 2 0 298.434 2.658 20 0 CFADRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCO1 ZINC000174398587 379877995 /nfs/dbraw/zinc/87/79/95/379877995.db2.gz BNQSNZFRECLTDZ-ROUUACIJSA-N 2 0 288.435 2.619 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1[NH3+] ZINC000335786304 379886778 /nfs/dbraw/zinc/88/67/78/379886778.db2.gz JUIIMHNFRYRWSJ-RHSMWYFYSA-N 2 0 281.403 2.918 20 0 CFADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000334865409 379933614 /nfs/dbraw/zinc/93/36/14/379933614.db2.gz SCJHCPFAWNEGTB-QOJXUVEWSA-N 2 0 273.424 2.753 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC000174779928 379939694 /nfs/dbraw/zinc/93/96/94/379939694.db2.gz OBTFWAGREUXOET-NVXWUHKLSA-N 2 0 260.425 2.891 20 0 CFADRP FC1(F)CCC[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000334995938 379952582 /nfs/dbraw/zinc/95/25/82/379952582.db2.gz HHXFZJWYPGJJQB-ZDUSSCGKSA-N 2 0 272.383 2.887 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335017826 379957625 /nfs/dbraw/zinc/95/76/25/379957625.db2.gz NVAATNNTBIXLQF-TVUZUIDESA-N 2 0 250.308 2.577 20 0 CFADRP CC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000335032534 379959837 /nfs/dbraw/zinc/95/98/37/379959837.db2.gz MHBLDLHYAQIXQR-PBHICJAKSA-N 2 0 272.392 2.632 20 0 CFADRP C1CC2(CCCC2)[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000335037042 379961044 /nfs/dbraw/zinc/96/10/44/379961044.db2.gz ZURUDRDKSVGQOA-OFLPRAFFSA-N 2 0 291.483 2.515 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000335847901 379987944 /nfs/dbraw/zinc/98/79/44/379987944.db2.gz VIMWINSJNYLDAT-UHFFFAOYSA-N 2 0 262.328 2.743 20 0 CFADRP Cc1cccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000335857093 380004178 /nfs/dbraw/zinc/00/41/78/380004178.db2.gz LRHUPODIBMJUDV-MRXNPFEDSA-N 2 0 259.397 2.527 20 0 CFADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000335236428 380058061 /nfs/dbraw/zinc/05/80/61/380058061.db2.gz HHORAVIPOZWJIB-DLBZAZTESA-N 2 0 292.398 2.544 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC000175453406 380066358 /nfs/dbraw/zinc/06/63/58/380066358.db2.gz OLQAKEQZVDYPJV-NXEZZACHSA-N 2 0 273.833 2.711 20 0 CFADRP C[C@@H]1C[C@@H](N(C)Cc2cnc(Cl)s2)CC[N@@H+]1C ZINC000175453442 380066485 /nfs/dbraw/zinc/06/64/85/380066485.db2.gz OLQAKEQZVDYPJV-ZJUUUORDSA-N 2 0 273.833 2.711 20 0 CFADRP COc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000335960866 380163744 /nfs/dbraw/zinc/16/37/44/380163744.db2.gz NFIQCISQXUJDIW-KRWDZBQOSA-N 2 0 274.408 2.579 20 0 CFADRP CCc1cnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000335991178 380205481 /nfs/dbraw/zinc/20/54/81/380205481.db2.gz XEIZLIODCGKVND-OCCSQVGLSA-N 2 0 279.453 2.622 20 0 CFADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1CCCCC1 ZINC000177303198 380327315 /nfs/dbraw/zinc/32/73/15/380327315.db2.gz GCISXBZZKMKOTO-INIZCTEOSA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1Cl ZINC000177315789 380328755 /nfs/dbraw/zinc/32/87/55/380328755.db2.gz BBVMMJRYUQJILZ-KGLIPLIRSA-N 2 0 295.858 2.627 20 0 CFADRP CC1(C)COCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000336506363 380381390 /nfs/dbraw/zinc/38/13/90/380381390.db2.gz CDYKQQYHXOKSKG-UHFFFAOYSA-N 2 0 277.393 2.545 20 0 CFADRP Cc1csc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000336514314 380393994 /nfs/dbraw/zinc/39/39/94/380393994.db2.gz NDAKAGJWWSXXGP-CHWSQXEVSA-N 2 0 250.411 2.773 20 0 CFADRP C[N@@H+]1CCN(Cc2cn3ccccc3n2)C2(CCCCC2)C1 ZINC000178404351 380448453 /nfs/dbraw/zinc/44/84/53/380448453.db2.gz PYIMEVDOMITMJM-UHFFFAOYSA-N 2 0 298.434 2.785 20 0 CFADRP CC(C)n1ccnc1CN1CC[N@H+](C)CC12CCCCC2 ZINC000178403735 380448537 /nfs/dbraw/zinc/44/85/37/380448537.db2.gz WKQXKTJRNWGUKN-UHFFFAOYSA-N 2 0 290.455 2.914 20 0 CFADRP COCCC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000178400658 380449218 /nfs/dbraw/zinc/44/92/18/380449218.db2.gz GAUMAMCMMNUYDX-KBPBESRZSA-N 2 0 258.450 2.758 20 0 CFADRP Cc1nn(C)cc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000178105947 380409808 /nfs/dbraw/zinc/40/98/08/380409808.db2.gz SZIRMTSSRVJBNH-HNNXBMFYSA-N 2 0 292.471 2.891 20 0 CFADRP COC[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC1 ZINC000178160485 380417004 /nfs/dbraw/zinc/41/70/04/380417004.db2.gz FPGYZRBSOHJIAI-KRWDZBQOSA-N 2 0 280.456 2.656 20 0 CFADRP c1c(C[NH+]2CCC3(CC[NH2+]C3)CC2)onc1-c1ccccc1 ZINC000336528657 380419308 /nfs/dbraw/zinc/41/93/08/380419308.db2.gz VTGNIVPZFJYQPU-UHFFFAOYSA-N 2 0 297.402 2.917 20 0 CFADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2CC[NH2+]CC2)C1 ZINC000178979520 380498695 /nfs/dbraw/zinc/49/86/95/380498695.db2.gz XPZKICVCQYQWBP-FUHWJXTLSA-N 3 0 293.499 2.572 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)CCC[NH3+] ZINC000336785610 380630199 /nfs/dbraw/zinc/63/01/99/380630199.db2.gz ABCSYDLTYFFDAT-QWRGUYRKSA-N 2 0 254.349 2.612 20 0 CFADRP Cc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)s1 ZINC000336695302 380596648 /nfs/dbraw/zinc/59/66/48/380596648.db2.gz DQYOTKFFQQORES-UHFFFAOYSA-N 2 0 267.442 2.534 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000336714873 380606316 /nfs/dbraw/zinc/60/63/16/380606316.db2.gz WKPCKQHTENAROP-UWVGGRQHSA-N 2 0 271.202 2.695 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCOCc1ccccc1 ZINC000336719180 380610550 /nfs/dbraw/zinc/61/05/50/380610550.db2.gz RNJOQFINVZLVEJ-DOTOQJQBSA-N 2 0 276.424 2.795 20 0 CFADRP CCC[C@H](C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000180074714 380617984 /nfs/dbraw/zinc/61/79/84/380617984.db2.gz KRTBNDJXQKBEDF-IRXDYDNUSA-N 2 0 281.488 2.525 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@H](C)CCC[NH3+] ZINC000336729982 380618808 /nfs/dbraw/zinc/61/88/08/380618808.db2.gz XSESSQBJSJCQGY-SNVBAGLBSA-N 2 0 256.777 2.566 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc(Cl)cc1 ZINC000336730015 380618823 /nfs/dbraw/zinc/61/88/23/380618823.db2.gz XSXULOZQVYHZOD-GFCCVEGCSA-N 2 0 254.805 2.990 20 0 CFADRP COCC[N@H+](C)CCC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180104551 380620753 /nfs/dbraw/zinc/62/07/53/380620753.db2.gz OZUUFELMNCANGA-CRAIPNDOSA-N 2 0 290.451 2.786 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCOC2)C1 ZINC000336819875 380684555 /nfs/dbraw/zinc/68/45/55/380684555.db2.gz AXANCOSXXDLEGY-IXDOHACOSA-N 2 0 280.456 2.609 20 0 CFADRP Cc1nc(C)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000336820891 380688230 /nfs/dbraw/zinc/68/82/30/380688230.db2.gz FUFCNYJENHDWDJ-HNNXBMFYSA-N 2 0 293.480 2.924 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336823810 380693740 /nfs/dbraw/zinc/69/37/40/380693740.db2.gz RKHFXKXJCYPVMP-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336824075 380694516 /nfs/dbraw/zinc/69/45/16/380694516.db2.gz SONHKKMKPKLECR-MRXNPFEDSA-N 2 0 270.380 2.814 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2nccn2C(C)C)C1 ZINC000336823587 380694803 /nfs/dbraw/zinc/69/48/03/380694803.db2.gz QHEJUIVUVVQNIB-HNNXBMFYSA-N 2 0 278.444 2.628 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2=CCCC2)CC1 ZINC000645786821 383748462 /nfs/dbraw/zinc/74/84/62/383748462.db2.gz CHQSCKWFRWTXSS-IAGOWNOFSA-N 2 0 291.483 2.587 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000181201821 380757060 /nfs/dbraw/zinc/75/70/60/380757060.db2.gz TXHCAKCAVIPEME-RCBQFDQVSA-N 2 0 280.387 2.586 20 0 CFADRP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000181238520 380761669 /nfs/dbraw/zinc/76/16/69/380761669.db2.gz RYCPRSPIXRULCE-CAOSSQGBSA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181137256 380746886 /nfs/dbraw/zinc/74/68/86/380746886.db2.gz OOGYCKGFTRGEOD-OAGGEKHMSA-N 2 0 282.472 2.996 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341172011 380814203 /nfs/dbraw/zinc/81/42/03/380814203.db2.gz CYBMMASJUOLQNU-NVXWUHKLSA-N 2 0 282.472 2.855 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000341184469 380821352 /nfs/dbraw/zinc/82/13/52/380821352.db2.gz JFHHGCQXGFMOGP-VYDXJSESSA-N 2 0 290.455 2.611 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(C)(C)[NH3+])CC1 ZINC000346997617 380862988 /nfs/dbraw/zinc/86/29/88/380862988.db2.gz XGNFIXQVWYNPMY-HNNXBMFYSA-N 2 0 281.488 2.700 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000400944698 380866276 /nfs/dbraw/zinc/86/62/76/380866276.db2.gz AIYACOQSJQOPOE-YYWXWVFPSA-N 2 0 262.372 2.864 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401016411 380866939 /nfs/dbraw/zinc/86/69/39/380866939.db2.gz OMVFGNRFDKABQV-GBJTYRQASA-N 2 0 274.408 2.734 20 0 CFADRP COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401030866 380869343 /nfs/dbraw/zinc/86/93/43/380869343.db2.gz WSEHYINEBQDBEW-ARLBYUKCSA-N 2 0 274.408 2.734 20 0 CFADRP CCCOc1cccc(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000347005273 380871893 /nfs/dbraw/zinc/87/18/93/380871893.db2.gz BPYFBGPKKGQHRG-UHFFFAOYSA-N 2 0 262.397 2.659 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(CC)CC ZINC000181728206 380877526 /nfs/dbraw/zinc/87/75/26/380877526.db2.gz UDPDMABIRQMRRX-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346974203 380836463 /nfs/dbraw/zinc/83/64/63/380836463.db2.gz IQWQQEDOVJNJDQ-VYDXJSESSA-N 2 0 258.409 2.864 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000353767546 380837275 /nfs/dbraw/zinc/83/72/75/380837275.db2.gz MLSJLUDBMFFXGO-QGZVFWFLSA-N 2 0 297.402 2.695 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC[NH2+]C2)C1(CC)CC ZINC000346976845 380839126 /nfs/dbraw/zinc/83/91/26/380839126.db2.gz KHFREAHWWCHWEJ-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP OCCC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000346978980 380839405 /nfs/dbraw/zinc/83/94/05/380839405.db2.gz LMVVUSWTDKUOLK-HNNXBMFYSA-N 2 0 296.842 2.524 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000341265288 380880812 /nfs/dbraw/zinc/88/08/12/380880812.db2.gz ADLMKNZFPFOOAW-INIZCTEOSA-N 2 0 282.472 2.946 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(O)CCCC2)C1 ZINC000336840849 296314022 /nfs/dbraw/zinc/31/40/22/296314022.db2.gz NNCQLURMBLNPLA-SJORKVTESA-N 2 0 294.483 2.878 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2NCC3)[C@H](C)C1 ZINC000346982280 380843762 /nfs/dbraw/zinc/84/37/62/380843762.db2.gz NDPSPSIWRJLVHU-PBHICJAKSA-N 2 0 287.451 2.817 20 0 CFADRP CCCCC[N@H+](CCCOC)C[C@@H]1CCC[NH2+]C1 ZINC000347014356 380879043 /nfs/dbraw/zinc/87/90/43/380879043.db2.gz WZHLCRWVKDSPGN-OAHLLOKOSA-N 2 0 256.434 2.515 20 0 CFADRP C[C@@H]([NH2+]CCCCOCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400326371 380854031 /nfs/dbraw/zinc/85/40/31/380854031.db2.gz DMIUEDGMWMLSMH-NVXWUHKLSA-N 2 0 276.424 2.714 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000347088603 380929011 /nfs/dbraw/zinc/92/90/11/380929011.db2.gz DCGMISFAHSCZCC-CQSZACIVSA-N 2 0 298.434 2.740 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000181740101 380881659 /nfs/dbraw/zinc/88/16/59/380881659.db2.gz QELQPCLTKYPUEG-MSOLQXFVSA-N 2 0 295.515 2.963 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000181740019 380881839 /nfs/dbraw/zinc/88/18/39/380881839.db2.gz BDSCHSCTYWJUQP-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[C@H]1CCOC1 ZINC000402128559 380882024 /nfs/dbraw/zinc/88/20/24/380882024.db2.gz GUZBRJHSWMIJFZ-OWCLPIDISA-N 2 0 268.445 2.704 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181757065 380885546 /nfs/dbraw/zinc/88/55/46/380885546.db2.gz BGDHVEDKXLOECO-ZIAGYGMSSA-N 2 0 258.475 2.838 20 0 CFADRP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347035718 380896822 /nfs/dbraw/zinc/89/68/22/380896822.db2.gz DPTQKBMAXSWSSC-XYPWUTKMSA-N 2 0 297.402 2.655 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(F)ncc1F ZINC000295499543 380897555 /nfs/dbraw/zinc/89/75/55/380897555.db2.gz TYCNOSDOFULESE-LBPRGKRZSA-N 2 0 285.382 2.960 20 0 CFADRP Clc1ccccc1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517083 380898677 /nfs/dbraw/zinc/89/86/77/380898677.db2.gz OKUBKSMRQIJNDR-UHFFFAOYSA-N 2 0 294.826 2.794 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000181796745 380898769 /nfs/dbraw/zinc/89/87/69/380898769.db2.gz GSDIXUJEFACIAK-UXLLHSPISA-N 2 0 290.451 2.946 20 0 CFADRP Cc1sccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000295506270 380901982 /nfs/dbraw/zinc/90/19/82/380901982.db2.gz YUTHATOYRRYLHZ-BXUZGUMPSA-N 2 0 252.427 2.971 20 0 CFADRP COc1c(C)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000347064870 380917765 /nfs/dbraw/zinc/91/77/65/380917765.db2.gz DKVKAAWENFWGOK-GDBMZVCRSA-N 2 0 276.424 2.871 20 0 CFADRP COc1ccc([C@@H](C)CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347115601 380949003 /nfs/dbraw/zinc/94/90/03/380949003.db2.gz UTSLPLZMBZKVDE-IMJJTQAJSA-N 2 0 274.408 2.625 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000353909745 380949323 /nfs/dbraw/zinc/94/93/23/380949323.db2.gz BOFXFRVYVPDTAS-CABCVRRESA-N 2 0 295.515 2.673 20 0 CFADRP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cs1 ZINC000295577069 380952532 /nfs/dbraw/zinc/95/25/32/380952532.db2.gz DLDVRNLVGXHULP-HOTGVXAUSA-N 2 0 294.464 2.524 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000353918256 380952953 /nfs/dbraw/zinc/95/29/53/380952953.db2.gz STHQJYGQGLUERQ-LSDHHAIUSA-N 2 0 256.434 2.512 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000353918253 380953309 /nfs/dbraw/zinc/95/33/09/380953309.db2.gz STHQJYGQGLUERQ-CABCVRRESA-N 2 0 256.434 2.512 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000347120124 380955135 /nfs/dbraw/zinc/95/51/35/380955135.db2.gz VLDHVJKAPUEDGK-NSHDSACASA-N 2 0 290.436 2.697 20 0 CFADRP Cc1cccnc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000368265213 380975294 /nfs/dbraw/zinc/97/52/94/380975294.db2.gz RCUWXYRDYXYPGA-HRCADAONSA-N 2 0 287.451 2.740 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000353944024 380977826 /nfs/dbraw/zinc/97/78/26/380977826.db2.gz JCQZBILABYASND-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368292342 380983946 /nfs/dbraw/zinc/98/39/46/380983946.db2.gz TZKPVCKDZVBKBV-BASYENTBSA-N 2 0 286.419 2.768 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000347109248 380945235 /nfs/dbraw/zinc/94/52/35/380945235.db2.gz MZFGYOYKEGLFJQ-UHFFFAOYSA-N 2 0 281.469 2.773 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000347221239 381011909 /nfs/dbraw/zinc/01/19/09/381011909.db2.gz UDVBMIKQUYRPRQ-AWEZNQCLSA-N 2 0 279.453 2.670 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000353986309 381002353 /nfs/dbraw/zinc/00/23/53/381002353.db2.gz INUHRHDDAUQLOB-CZUORRHYSA-N 2 0 278.465 2.979 20 0 CFADRP CC(C)Cn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000347208485 381004368 /nfs/dbraw/zinc/00/43/68/381004368.db2.gz NIIPVOSZNLHWKW-QGZVFWFLSA-N 2 0 290.455 2.503 20 0 CFADRP FC(F)(F)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000353989184 381005406 /nfs/dbraw/zinc/00/54/06/381005406.db2.gz ZXBJOCNZLFPBBZ-WDEREUQCSA-N 2 0 262.319 2.545 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cc(C)c(O)c(C)c2)CC1 ZINC000347288271 381049988 /nfs/dbraw/zinc/04/99/88/381049988.db2.gz QLXVPPKFCHSJNV-UHFFFAOYSA-N 2 0 276.424 2.625 20 0 CFADRP Cc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc(C)c1O ZINC000289582186 381054756 /nfs/dbraw/zinc/05/47/56/381054756.db2.gz IAHPBNTUEMNMKM-UHFFFAOYSA-N 2 0 288.435 2.973 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368566620 381068516 /nfs/dbraw/zinc/06/85/16/381068516.db2.gz JEAMTNKXTNPZSB-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000295778216 381069352 /nfs/dbraw/zinc/06/93/52/381069352.db2.gz ARXAADAIEYZZTF-GFCCVEGCSA-N 2 0 283.379 2.809 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182264659 381044137 /nfs/dbraw/zinc/04/41/37/381044137.db2.gz UGVAVEXDNLRNHP-VKJFTORMSA-N 2 0 290.451 2.777 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000182271059 381045832 /nfs/dbraw/zinc/04/58/32/381045832.db2.gz GPKKFNCADPCMJH-KSSFIOAISA-N 2 0 288.435 2.531 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368609000 381082673 /nfs/dbraw/zinc/08/26/73/381082673.db2.gz ULDQHNHGGARGBI-SUJAAXHWSA-N 2 0 292.423 2.554 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000354108016 381083896 /nfs/dbraw/zinc/08/38/96/381083896.db2.gz SRZQQUUGLXESMK-GOSISDBHSA-N 2 0 290.451 2.928 20 0 CFADRP CCN1CCC([NH2+][C@H]2CCO[C@H](CC(C)C)C2)CC1 ZINC000347350651 381090185 /nfs/dbraw/zinc/09/01/85/381090185.db2.gz WXJSYSLEEBISSG-JKSUJKDBSA-N 2 0 268.445 2.654 20 0 CFADRP C[N@H+](CCCO[C@H]1CCCCO1)CC[C@@H]1CCCC[NH+]1C ZINC000358804573 381094896 /nfs/dbraw/zinc/09/48/96/381094896.db2.gz JNMXKHACUULKNL-IRXDYDNUSA-N 2 0 298.471 2.726 20 0 CFADRP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000347362395 381098922 /nfs/dbraw/zinc/09/89/22/381098922.db2.gz XTJJUAYXJYYKNS-WRQOLXDDSA-N 2 0 282.472 2.898 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289691852 381106228 /nfs/dbraw/zinc/10/62/28/381106228.db2.gz OIKMPVKXUIECOO-SJPCQFCGSA-N 2 0 286.419 2.679 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000358777857 381076784 /nfs/dbraw/zinc/07/67/84/381076784.db2.gz SSXSXDRKNPWINS-HUUCEWRRSA-N 2 0 268.470 2.877 20 0 CFADRP CCCC1CCC(C[NH2+]CCOCC[NH+](C)C)CC1 ZINC000354208657 381141674 /nfs/dbraw/zinc/14/16/74/381141674.db2.gz WJATYQFEKNGKJH-UHFFFAOYSA-N 2 0 270.461 2.761 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000182762505 381152285 /nfs/dbraw/zinc/15/22/85/381152285.db2.gz CQIZYOXCDIKQIT-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@H+](CC1CCCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368874966 381155294 /nfs/dbraw/zinc/15/52/94/381155294.db2.gz ITHYUIGLFGEKKR-UHFFFAOYSA-N 2 0 280.456 2.752 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000182634430 381124188 /nfs/dbraw/zinc/12/41/88/381124188.db2.gz ZQQFNFVKTPBGNN-LSDHHAIUSA-N 2 0 298.471 2.817 20 0 CFADRP Cc1cnccc1CNCCC[NH+](C(C)C)C(C)C ZINC000295873979 381131046 /nfs/dbraw/zinc/13/10/46/381131046.db2.gz XNPZCQQKQAKSOQ-UHFFFAOYSA-N 2 0 263.429 2.989 20 0 CFADRP CCC[NH+]1CCN(C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000369157785 381203480 /nfs/dbraw/zinc/20/34/80/381203480.db2.gz UPKCNQRZAVWQGT-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2nccn2C)CC1 ZINC000183086538 381211796 /nfs/dbraw/zinc/21/17/96/381211796.db2.gz MYFKUPLAKUGSER-OAHLLOKOSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@H]([NH2+]Cc1cc[nH]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100074 381216533 /nfs/dbraw/zinc/21/65/33/381216533.db2.gz PVKSYBSFRGVIBF-ZFWWWQNUSA-N 2 0 261.413 2.757 20 0 CFADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCC(F)(F)CC1 ZINC000347617120 381259504 /nfs/dbraw/zinc/25/95/04/381259504.db2.gz MYFYKWHXUXEFKV-LBPRGKRZSA-N 2 0 260.372 2.980 20 0 CFADRP CC/C=C\CC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000342230113 381223585 /nfs/dbraw/zinc/22/35/85/381223585.db2.gz LYGGKXXGWVQOKQ-XITLMJRVSA-N 2 0 268.445 2.775 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000289941920 381226382 /nfs/dbraw/zinc/22/63/82/381226382.db2.gz WCIDSUMNISINBD-OLZOCXBDSA-N 2 0 290.407 2.536 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1O ZINC000289941914 381227343 /nfs/dbraw/zinc/22/73/43/381227343.db2.gz WCIDSUMNISINBD-CHWSQXEVSA-N 2 0 290.407 2.536 20 0 CFADRP Cc1ccncc1CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000347580479 381235021 /nfs/dbraw/zinc/23/50/21/381235021.db2.gz GOKBWQSNUNHHJI-UHFFFAOYSA-N 2 0 275.440 2.596 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000183258497 381244312 /nfs/dbraw/zinc/24/43/12/381244312.db2.gz WOWKBCIXASJHPQ-LLVKDONJSA-N 2 0 268.351 2.957 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C2 ZINC000290076027 381288229 /nfs/dbraw/zinc/28/82/29/381288229.db2.gz GKDYVQYJPFCDRF-KRWDZBQOSA-N 2 0 288.435 2.761 20 0 CFADRP CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000290091991 381296414 /nfs/dbraw/zinc/29/64/14/381296414.db2.gz HLXOCVGKINBGEO-QLFBSQMISA-N 2 0 294.439 2.701 20 0 CFADRP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000183844811 381328784 /nfs/dbraw/zinc/32/87/84/381328784.db2.gz SKWSSEWWKJBYGD-HZPDHXFCSA-N 2 0 280.456 2.533 20 0 CFADRP CCc1cnccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000359290901 381331241 /nfs/dbraw/zinc/33/12/41/381331241.db2.gz CGLFZULZPADMSS-IMJJTQAJSA-N 2 0 273.424 2.921 20 0 CFADRP CC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC000290206031 381340673 /nfs/dbraw/zinc/34/06/73/381340673.db2.gz PNHOPBUSTOCPFD-BPQIPLTHSA-N 2 0 290.451 2.912 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183792361 381320625 /nfs/dbraw/zinc/32/06/25/381320625.db2.gz QSITZVGQXKDSKH-AWEZNQCLSA-N 2 0 298.471 2.818 20 0 CFADRP CC[C@@H]1CN(c2ccnc(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000184006298 381353011 /nfs/dbraw/zinc/35/30/11/381353011.db2.gz WETLHFUJWZAXQW-QGZVFWFLSA-N 2 0 296.418 2.886 20 0 CFADRP C[C@H](CF)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290243312 381355419 /nfs/dbraw/zinc/35/54/19/381355419.db2.gz UWHKXXNXSMKYJD-FMKPAKJESA-N 2 0 264.388 2.845 20 0 CFADRP OCC[NH+]1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC000347805626 381358033 /nfs/dbraw/zinc/35/80/33/381358033.db2.gz PQBIVSURDZKHBB-UHFFFAOYSA-N 2 0 282.472 2.641 20 0 CFADRP C[C@H](C[NH+]1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000342491523 381359461 /nfs/dbraw/zinc/35/94/61/381359461.db2.gz CPWJCUIHGSPTSC-MRXNPFEDSA-N 2 0 290.451 2.833 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(F)ccc2F)C1 ZINC000290291770 381371361 /nfs/dbraw/zinc/37/13/61/381371361.db2.gz ALKNVPIHFYAVGD-BLLLJJGKSA-N 2 0 280.362 2.881 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000296395228 381376193 /nfs/dbraw/zinc/37/61/93/381376193.db2.gz LFQJQDIECIEAKD-OLZOCXBDSA-N 2 0 282.378 3.000 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1c(C)nn(C)c1C ZINC000347902922 381405504 /nfs/dbraw/zinc/40/55/04/381405504.db2.gz LMGOKTOPUNMQRQ-HUUCEWRRSA-N 2 0 278.444 2.562 20 0 CFADRP Cc1cc(NCC[N@@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000359477576 381425524 /nfs/dbraw/zinc/42/55/24/381425524.db2.gz CTEXQOSMPVHMEA-UHFFFAOYSA-N 2 0 273.355 2.610 20 0 CFADRP COc1cc2c(cc1F)nccc2N1CC[N@H+](C)C[C@H]1C ZINC000359500261 381437390 /nfs/dbraw/zinc/43/73/90/381437390.db2.gz GMXRKSOCFHZKCG-LLVKDONJSA-N 2 0 289.354 2.523 20 0 CFADRP Cc1ccncc1CCC[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000290484727 381448498 /nfs/dbraw/zinc/44/84/98/381448498.db2.gz OGBWXPIPHAVNOL-QZTJIDSGSA-N 3 0 287.451 2.739 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000348262741 381476842 /nfs/dbraw/zinc/47/68/42/381476842.db2.gz KGSHKJOJVQYFQY-XDNAFOTISA-N 2 0 293.499 2.808 20 0 CFADRP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370628700 381480156 /nfs/dbraw/zinc/48/01/56/381480156.db2.gz LHLRFMXUGVKJQX-RDJZCZTQSA-N 2 0 275.440 2.928 20 0 CFADRP C[N@H+](CCCCOC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000354842622 381482100 /nfs/dbraw/zinc/48/21/00/381482100.db2.gz GALCZQKMAJLLKX-OAHLLOKOSA-N 2 0 270.461 2.855 20 0 CFADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000290507607 381457653 /nfs/dbraw/zinc/45/76/53/381457653.db2.gz PKDCJGNRHZUHQQ-QAPCUYQASA-N 2 0 298.434 2.644 20 0 CFADRP CCC1CC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000342694328 381484748 /nfs/dbraw/zinc/48/47/48/381484748.db2.gz DWHCISATSAMZQR-MHVXSEJMSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]1CCC[N@@H+]1C1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000370879545 381509005 /nfs/dbraw/zinc/50/90/05/381509005.db2.gz UPMKWPKBOYXMEZ-IRXDYDNUSA-N 2 0 293.499 2.810 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000359621275 381513775 /nfs/dbraw/zinc/51/37/75/381513775.db2.gz OVNHQVVHYHQRGL-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP CCCn1ccnc1CCC[N@H+](C)Cc1cnn(CC)c1 ZINC000290577483 381486159 /nfs/dbraw/zinc/48/61/59/381486159.db2.gz UHFZATFUKKMLBS-UHFFFAOYSA-N 2 0 289.427 2.574 20 0 CFADRP COc1ccccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000290591129 381491615 /nfs/dbraw/zinc/49/16/15/381491615.db2.gz VHKXRPZYUPVZCC-GDBMZVCRSA-N 2 0 274.408 2.611 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000348306033 381492926 /nfs/dbraw/zinc/49/29/26/381492926.db2.gz WKXIJPJPAAOJMK-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000354877961 381502932 /nfs/dbraw/zinc/50/29/32/381502932.db2.gz ZDJFZNZDFOVSPK-SFHVURJKSA-N 2 0 296.499 2.981 20 0 CFADRP C[NH+](C)Cc1ccc(CNc2ccncc2Cl)cc1F ZINC000342799757 381549065 /nfs/dbraw/zinc/54/90/65/381549065.db2.gz MZPAYBYPKSUMJH-UHFFFAOYSA-N 2 0 293.773 2.970 20 0 CFADRP CC(C)(CC[NH+]1CCCCCC1)[NH2+]CC1=CCCOC1 ZINC000185159412 381549357 /nfs/dbraw/zinc/54/93/57/381549357.db2.gz TYHFPBRYBJGXNC-UHFFFAOYSA-N 2 0 280.456 2.967 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+]Cc1ccsc1Cl ZINC000359728183 381581777 /nfs/dbraw/zinc/58/17/77/381581777.db2.gz IHLSTZGTRDKIBD-LBPRGKRZSA-N 2 0 288.844 2.602 20 0 CFADRP CC(C)O[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1(C)C ZINC000185185451 381557616 /nfs/dbraw/zinc/55/76/16/381557616.db2.gz AEXGMBZZEZOGFF-KBPBESRZSA-N 2 0 270.461 2.756 20 0 CFADRP C([C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1)[NH+]1CCCCC1 ZINC000371195998 381563534 /nfs/dbraw/zinc/56/35/34/381563534.db2.gz BBKSDARVPGPHDQ-SJORKVTESA-N 2 0 280.456 2.753 20 0 CFADRP c1ccc(CC2CC[NH+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000371196445 381565230 /nfs/dbraw/zinc/56/52/30/381565230.db2.gz DPQSMGJWZLDIMW-UHFFFAOYSA-N 2 0 287.451 2.822 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccsc1 ZINC000297546783 381565646 /nfs/dbraw/zinc/56/56/46/381565646.db2.gz FJBNGSHXORVZRH-MRXNPFEDSA-N 2 0 295.496 2.816 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371199528 381565950 /nfs/dbraw/zinc/56/59/50/381565950.db2.gz UEAQRNAXEFMLKY-QZTJIDSGSA-N 2 0 293.499 2.669 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc[nH]c2)cc1F ZINC000342821074 381567735 /nfs/dbraw/zinc/56/77/35/381567735.db2.gz LOUKNOAPCXOYPG-UHFFFAOYSA-N 2 0 261.344 2.505 20 0 CFADRP Cc1cc([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)[nH]n1 ZINC000371212191 381569929 /nfs/dbraw/zinc/56/99/29/381569929.db2.gz HRPCKXMMDHUZNL-HOTGVXAUSA-N 2 0 290.455 2.772 20 0 CFADRP COCC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677718 381598041 /nfs/dbraw/zinc/59/80/41/381598041.db2.gz JIJVOPMEAFBBOD-KBPBESRZSA-N 2 0 282.453 2.585 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000414690279 381599339 /nfs/dbraw/zinc/59/93/39/381599339.db2.gz AATHPDQCPXWQLJ-ZBFHGGJFSA-N 2 0 268.445 2.783 20 0 CFADRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(F)c1F ZINC000414773547 381605167 /nfs/dbraw/zinc/60/51/67/381605167.db2.gz DNKVQQLRYRAOAZ-QWHCGFSZSA-N 2 0 298.352 2.925 20 0 CFADRP CC(C)[C@@H]([NH3+])CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414793379 381605243 /nfs/dbraw/zinc/60/52/43/381605243.db2.gz KIRPOZKTTPAARH-PVAVHDDUSA-N 2 0 281.488 2.602 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000414800503 381605388 /nfs/dbraw/zinc/60/53/88/381605388.db2.gz KXHNCZNCBLNXQX-OFQRWUPVSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000185308540 381593784 /nfs/dbraw/zinc/59/37/84/381593784.db2.gz JVSUCOVSPDHFHS-KCXAZCMYSA-N 2 0 296.842 2.620 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCC2)CC1 ZINC000414881748 381609009 /nfs/dbraw/zinc/60/90/09/381609009.db2.gz SQSWHCXAIDUDKN-HOCLYGCPSA-N 2 0 279.472 2.501 20 0 CFADRP C[C@@]1(C[NH2+]C2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000414917004 381611396 /nfs/dbraw/zinc/61/13/96/381611396.db2.gz QTXGBTDHBFCNSX-GOSISDBHSA-N 2 0 287.451 2.635 20 0 CFADRP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414907421 381612152 /nfs/dbraw/zinc/61/21/52/381612152.db2.gz ASQFDOYXUSDHTP-MXSMSXNCSA-N 2 0 293.499 2.617 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)C1 ZINC000414925437 381614053 /nfs/dbraw/zinc/61/40/53/381614053.db2.gz LUGTXJLRDWBKMZ-UONOGXRCSA-N 2 0 280.799 2.634 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414928186 381617529 /nfs/dbraw/zinc/61/75/29/381617529.db2.gz PXSLIAOFKJOYFG-VXGBXAGGSA-N 2 0 268.788 2.708 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414928499 381618289 /nfs/dbraw/zinc/61/82/89/381618289.db2.gz NIUIVJHABAWOFS-KKUMJFAQSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000414928261 381618576 /nfs/dbraw/zinc/61/85/76/381618576.db2.gz AODCOPMTABQLPV-HOCLYGCPSA-N 2 0 298.434 2.626 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414930888 381620247 /nfs/dbraw/zinc/62/02/47/381620247.db2.gz BKLQAOQMLCYLMT-IOASZLSFSA-N 2 0 264.388 2.734 20 0 CFADRP CCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414930718 381620498 /nfs/dbraw/zinc/62/04/98/381620498.db2.gz TYMSXULHEIEPKV-LSDHHAIUSA-N 2 0 262.397 2.835 20 0 CFADRP CC1([NH2+]CCSCc2ccccc2)CC[NH2+]CC1 ZINC000414932115 381622393 /nfs/dbraw/zinc/62/23/93/381622393.db2.gz CHAIVWHEAZYZKZ-UHFFFAOYSA-N 2 0 264.438 2.652 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000414934260 381624677 /nfs/dbraw/zinc/62/46/77/381624677.db2.gz AIUMHNXLLVYCNQ-ZIAGYGMSSA-N 2 0 264.413 2.604 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCc2ccc(C)cc2)CCC[NH2+]1 ZINC000414934699 381625558 /nfs/dbraw/zinc/62/55/58/381625558.db2.gz AGZLURDZLUBEMN-AEFFLSMTSA-N 2 0 290.451 2.674 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944314 381636782 /nfs/dbraw/zinc/63/67/82/381636782.db2.gz GPBUQYXWWBZCOW-OUCADQQQSA-N 2 0 252.427 2.799 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414944016 381633661 /nfs/dbraw/zinc/63/36/61/381633661.db2.gz OVVWDTOIYXCZMC-BGTYHANMSA-N 2 0 272.436 2.985 20 0 CFADRP COC[C@]1(C[NH2+]CCCC2CCCCC2)CCC[NH2+]1 ZINC000414954718 381646912 /nfs/dbraw/zinc/64/69/12/381646912.db2.gz LXJKJBQQQKSNGO-MRXNPFEDSA-N 2 0 268.445 2.705 20 0 CFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000414954220 381647477 /nfs/dbraw/zinc/64/74/77/381647477.db2.gz MVDPMCFRWIXHTR-LAQRGFTBSA-N 2 0 287.451 2.552 20 0 CFADRP CC[C@H](C[NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000414948842 381641130 /nfs/dbraw/zinc/64/11/30/381641130.db2.gz YGPWFXVBUIKMBR-WBVHZDCISA-N 2 0 276.424 2.538 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCCC(C)C)CCC[NH2+]1 ZINC000414952206 381642576 /nfs/dbraw/zinc/64/25/76/381642576.db2.gz HXVDQWOAJMKIOJ-LSDHHAIUSA-N 2 0 256.434 2.559 20 0 CFADRP COC[C@@]1(C[NH2+][C@H](C)CCc2cccc(C)c2)CCC[NH2+]1 ZINC000414952917 381644469 /nfs/dbraw/zinc/64/44/69/381644469.db2.gz IUUBZLYYHXBWHK-AEFFLSMTSA-N 2 0 290.451 2.674 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414964217 381660517 /nfs/dbraw/zinc/66/05/17/381660517.db2.gz MCELWCJPUHQIKP-INIZCTEOSA-N 2 0 276.424 2.879 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414966338 381663424 /nfs/dbraw/zinc/66/34/24/381663424.db2.gz WKGOMOUPLIQJEY-CJNGLKHVSA-N 2 0 262.397 2.561 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414968813 381665710 /nfs/dbraw/zinc/66/57/10/381665710.db2.gz YMPAKCUCDBCKIH-HOZRCZGOSA-N 2 0 266.335 2.566 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414969017 381665792 /nfs/dbraw/zinc/66/57/92/381665792.db2.gz YXRIOHNXFAUMJO-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414968272 381666023 /nfs/dbraw/zinc/66/60/23/381666023.db2.gz YKDBCKDENHXUOD-KSSFIOAISA-N 2 0 281.403 2.836 20 0 CFADRP c1cn(Cc2ccccc2)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000414968521 381666187 /nfs/dbraw/zinc/66/61/87/381666187.db2.gz IJOAPDXYAFCEAV-KRWDZBQOSA-N 2 0 298.434 2.553 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414975018 381669709 /nfs/dbraw/zinc/66/97/09/381669709.db2.gz OCKROBNZOUGDHR-MRXNPFEDSA-N 2 0 292.423 2.572 20 0 CFADRP c1nc([C@H]2CCCO2)sc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414974685 381669920 /nfs/dbraw/zinc/66/99/20/381669920.db2.gz NWSMZNSUKOLCCZ-TZMCWYRMSA-N 2 0 295.452 2.616 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414975547 381671333 /nfs/dbraw/zinc/67/13/33/381671333.db2.gz OSRCEBZWYUFNDY-SIEGMDDESA-N 2 0 262.372 2.961 20 0 CFADRP CC[NH2+][C@H](C)CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414958502 381650846 /nfs/dbraw/zinc/65/08/46/381650846.db2.gz OYFVBTCFFSPASA-INMHGKMJSA-N 2 0 281.488 2.617 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c2ccccc12 ZINC000414959576 381653504 /nfs/dbraw/zinc/65/35/04/381653504.db2.gz PVOKHUGLUKFZCY-DYVFJYSZSA-N 2 0 284.403 2.936 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1Br ZINC000414960233 381654592 /nfs/dbraw/zinc/65/45/92/381654592.db2.gz XZNZKLVNWFMSEG-WCQYABFASA-N 2 0 297.240 2.988 20 0 CFADRP Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])c(-c2cnn(C)c2)c1 ZINC000415016544 381709538 /nfs/dbraw/zinc/70/95/38/381709538.db2.gz CSXDOIQJXLRPOF-CQSZACIVSA-N 2 0 286.423 2.613 20 0 CFADRP Cc1nc2ccc(C[NH2+][C@@H](C)CCC[NH3+])cc2s1 ZINC000415015238 381709574 /nfs/dbraw/zinc/70/95/74/381709574.db2.gz AQKCBCGSGDIBTF-JTQLQIEISA-N 2 0 263.410 2.822 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(F)c2cccnc12 ZINC000415015860 381709677 /nfs/dbraw/zinc/70/96/77/381709677.db2.gz BJNOQHHJYFMARJ-LLVKDONJSA-N 2 0 261.344 2.591 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000415016724 381709737 /nfs/dbraw/zinc/70/97/37/381709737.db2.gz QLKCYDITYXDXRE-NEPJUHHUSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000415016566 381710227 /nfs/dbraw/zinc/71/02/27/381710227.db2.gz CWIZBIWTXVFVRE-HNNXBMFYSA-N 2 0 299.418 2.878 20 0 CFADRP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415015404 381710465 /nfs/dbraw/zinc/71/04/65/381710465.db2.gz YQRAFWGDQBKGMN-FHLIZLRMSA-N 2 0 272.436 2.904 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nccn1Cc1ccccc1 ZINC000415017208 381712122 /nfs/dbraw/zinc/71/21/22/381712122.db2.gz RLHQUPSKBNCKIO-HNNXBMFYSA-N 2 0 286.423 2.539 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000415020130 381715414 /nfs/dbraw/zinc/71/54/14/381715414.db2.gz JFSOKICHHZTOQX-JTQLQIEISA-N 2 0 276.302 2.802 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414980643 381674925 /nfs/dbraw/zinc/67/49/25/381674925.db2.gz AQPLLCKUBDZMTF-VXGBXAGGSA-N 2 0 297.830 2.692 20 0 CFADRP Clc1ccc2ncc(C[NH2+]CCC[C@H]3CCC[NH2+]3)n2c1 ZINC000414979542 381675200 /nfs/dbraw/zinc/67/52/00/381675200.db2.gz VMALGFHWYWAQHG-ZDUSSCGKSA-N 2 0 292.814 2.610 20 0 CFADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355204817 381675497 /nfs/dbraw/zinc/67/54/97/381675497.db2.gz SBFZXSXSNWCUFP-PVAVHDDUSA-N 2 0 258.409 2.754 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000414980640 381675470 /nfs/dbraw/zinc/67/54/70/381675470.db2.gz AQPLLCKUBDZMTF-RYUDHWBXSA-N 2 0 297.830 2.692 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000414985838 381678965 /nfs/dbraw/zinc/67/89/65/381678965.db2.gz BPDWXGBIKNKKLL-GXTWGEPZSA-N 2 0 252.789 2.947 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000414987386 381681624 /nfs/dbraw/zinc/68/16/24/381681624.db2.gz DQYJZFJRRZMCGF-WCQYABFASA-N 2 0 282.815 2.956 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415022431 381716389 /nfs/dbraw/zinc/71/63/89/381716389.db2.gz ZKHHXSOCSXCUMR-AWEZNQCLSA-N 2 0 286.423 2.788 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000414991047 381685433 /nfs/dbraw/zinc/68/54/33/381685433.db2.gz PYUJCAPKDPSCNF-ZNMIVQPWSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000415023822 381716496 /nfs/dbraw/zinc/71/64/96/381716496.db2.gz NSQKNYPXYMJDRS-GFCCVEGCSA-N 2 0 259.353 2.559 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002414 381695195 /nfs/dbraw/zinc/69/51/95/381695195.db2.gz DIGVOQXLVIRJKY-FHLIZLRMSA-N 2 0 272.436 2.985 20 0 CFADRP COc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415004886 381696519 /nfs/dbraw/zinc/69/65/19/381696519.db2.gz IODMRNYFLJDTAI-SWLSCSKDSA-N 2 0 294.826 2.826 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000415004640 381696929 /nfs/dbraw/zinc/69/69/29/381696929.db2.gz YKZZGZWANBUMLK-WCQYABFASA-N 2 0 292.814 2.595 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000415004638 381696941 /nfs/dbraw/zinc/69/69/41/381696941.db2.gz YKZZGZWANBUMLK-AAEUAGOBSA-N 2 0 292.814 2.595 20 0 CFADRP CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415005571 381697914 /nfs/dbraw/zinc/69/79/14/381697914.db2.gz ZMFWLJHGUGTWRK-HIFRSBDPSA-N 2 0 262.397 2.692 20 0 CFADRP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)n1-c1ccccc1 ZINC000415005477 381699190 /nfs/dbraw/zinc/69/91/90/381699190.db2.gz ZEBVTQYNEBLYHX-HZPDHXFCSA-N 2 0 298.434 2.788 20 0 CFADRP c1oc2ccccc2c1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415009327 381702080 /nfs/dbraw/zinc/70/20/80/381702080.db2.gz NWOVCGYHFTXDDD-JKSUJKDBSA-N 2 0 270.376 2.911 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000415009693 381702408 /nfs/dbraw/zinc/70/24/08/381702408.db2.gz FOIYRIUHOBQFJE-SOLBZPMBSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C\c1ccc(F)cc1 ZINC000415008231 381702715 /nfs/dbraw/zinc/70/27/15/381702715.db2.gz DADJQROXJDCIBS-AGLBCWCQSA-N 2 0 250.361 2.946 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000415010888 381704001 /nfs/dbraw/zinc/70/40/01/381704001.db2.gz HIGBMGUSGMBVEV-KGLIPLIRSA-N 2 0 250.386 2.561 20 0 CFADRP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682728 381704372 /nfs/dbraw/zinc/70/43/72/381704372.db2.gz SHCRXKGLPDDEJT-HUUCEWRRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000415009888 381704568 /nfs/dbraw/zinc/70/45/68/381704568.db2.gz FWZJCIIZGXRCNT-ZDUSSCGKSA-N 2 0 272.396 2.684 20 0 CFADRP CC(C)N(C)c1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cn1 ZINC000415011450 381704628 /nfs/dbraw/zinc/70/46/28/381704628.db2.gz HUJZZRKGNLFNSB-AWEZNQCLSA-N 2 0 278.444 2.533 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H](C)C(F)(F)F)CC1 ZINC000359972228 381704871 /nfs/dbraw/zinc/70/48/71/381704871.db2.gz VDIKODHVCNYDJM-JTQLQIEISA-N 2 0 252.324 2.649 20 0 CFADRP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415010988 381705205 /nfs/dbraw/zinc/70/52/05/381705205.db2.gz VLTILGDRNFJRBA-GXTWGEPZSA-N 2 0 264.388 2.995 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000415011792 381705967 /nfs/dbraw/zinc/70/59/67/381705967.db2.gz IIAISROEXQUMOA-LLVKDONJSA-N 2 0 278.425 2.745 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)C1 ZINC000415039360 381729358 /nfs/dbraw/zinc/72/93/58/381729358.db2.gz NYBZEVHTVBJYPO-UONOGXRCSA-N 2 0 291.414 2.643 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000415043948 381730435 /nfs/dbraw/zinc/73/04/35/381730435.db2.gz SISPBIJCXPBPBS-JQWIXIFHSA-N 2 0 268.788 2.566 20 0 CFADRP CC[N@H+](CCC1CC[NH+](CCC[C@@H](C)O)CC1)CC1CC1 ZINC000355291831 381731636 /nfs/dbraw/zinc/73/16/36/381731636.db2.gz NBHDBYQMILFEAD-MRXNPFEDSA-N 2 0 296.499 2.981 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000415046011 381733231 /nfs/dbraw/zinc/73/32/31/381733231.db2.gz UUPWJKGPTSDDIX-MWLCHTKSSA-N 2 0 279.384 2.652 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415049245 381734655 /nfs/dbraw/zinc/73/46/55/381734655.db2.gz XOQPILKIPGXFRD-CHWSQXEVSA-N 2 0 250.411 2.626 20 0 CFADRP c1ccc([C@@H]2CCCC[C@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000415047923 381734998 /nfs/dbraw/zinc/73/49/98/381734998.db2.gz ZBHHVDUMFFPAHK-WKULXVSPSA-N 2 0 270.420 2.910 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000415048660 381735138 /nfs/dbraw/zinc/73/51/38/381735138.db2.gz XBFRSRLOOZPYPP-ILXRZTDVSA-N 2 0 282.378 2.970 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415051767 381735932 /nfs/dbraw/zinc/73/59/32/381735932.db2.gz ZRIXWSPNFYPUEG-XJKSGUPXSA-N 2 0 284.407 2.602 20 0 CFADRP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@@]1(C)C[NH3+] ZINC000415051480 381736301 /nfs/dbraw/zinc/73/63/01/381736301.db2.gz FWHXBBIRFFRARN-IHLDYCTFSA-N 2 0 262.372 2.756 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@@]1(C)C[NH3+] ZINC000415053484 381737564 /nfs/dbraw/zinc/73/75/64/381737564.db2.gz KABURPQKQRQLMH-BDJLRTHQSA-N 2 0 276.355 2.989 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@@]1(C)C[NH3+] ZINC000415054005 381739712 /nfs/dbraw/zinc/73/97/12/381739712.db2.gz KZZZWFVUKXPPBV-FZKQIMNGSA-N 2 0 288.435 2.817 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415058178 381742682 /nfs/dbraw/zinc/74/26/82/381742682.db2.gz SXOBWMOUMFTDAE-DJIMGWMZSA-N 3 0 275.440 2.587 20 0 CFADRP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1C ZINC000415058219 381744371 /nfs/dbraw/zinc/74/43/71/381744371.db2.gz VFWBUDGZVHBGKF-IRXDYDNUSA-N 2 0 288.435 2.968 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415058181 381745612 /nfs/dbraw/zinc/74/56/12/381745612.db2.gz SXOBWMOUMFTDAE-PVAVHDDUSA-N 3 0 275.440 2.587 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(Cl)c1OC ZINC000415060938 381746261 /nfs/dbraw/zinc/74/62/61/381746261.db2.gz KKTPJAHWGRPACR-JTQLQIEISA-N 2 0 286.803 2.574 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000415061132 381746654 /nfs/dbraw/zinc/74/66/54/381746654.db2.gz XZJZXKDMPXYEAC-HNNXBMFYSA-N 2 0 264.438 2.952 20 0 CFADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCC[NH2+]C1CC1 ZINC000415064030 381748544 /nfs/dbraw/zinc/74/85/44/381748544.db2.gz BKJNJXLOFWXQGC-ZDUSSCGKSA-N 2 0 286.423 2.616 20 0 CFADRP C[C@@H](C[NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000415068676 381754147 /nfs/dbraw/zinc/75/41/47/381754147.db2.gz NLWJPUFIHIUZDW-LBPRGKRZSA-N 2 0 250.361 2.661 20 0 CFADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2=CC[N@H+](C)CC2)C1 ZINC000360060214 381755842 /nfs/dbraw/zinc/75/58/42/381755842.db2.gz SRAYAECWYIKCSE-LPHOPBHVSA-N 2 0 299.462 2.673 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CCC[NH2+]C2CC2)C[C@@H]1c1ccccc1 ZINC000415071710 381757366 /nfs/dbraw/zinc/75/73/66/381757366.db2.gz UIVJBMHTJMPRMY-RRQGHBQHSA-N 2 0 258.409 2.910 20 0 CFADRP COc1ccsc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026070 381718282 /nfs/dbraw/zinc/71/82/82/381718282.db2.gz RUWARUZRUARGJD-HAQNSBGRSA-N 2 0 268.426 2.611 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)CCC[NH3+])c(Cl)c1 ZINC000415024934 381718532 /nfs/dbraw/zinc/71/85/32/381718532.db2.gz PWDBVAKBRXODEW-JTQLQIEISA-N 2 0 256.777 2.566 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCC2CC2)C1 ZINC000415026966 381720385 /nfs/dbraw/zinc/72/03/85/381720385.db2.gz AGJOIGCYXOHGJA-HOCLYGCPSA-N 2 0 274.408 2.692 20 0 CFADRP CCCOc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1OC ZINC000415027518 381720456 /nfs/dbraw/zinc/72/04/56/381720456.db2.gz AZSGUCORLNDGPB-DZGCQCFKSA-N 2 0 292.423 2.701 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)CCC[NH3+])c1C ZINC000415028272 381721243 /nfs/dbraw/zinc/72/12/43/381721243.db2.gz YEWMQQWQLNCMJF-ZIAGYGMSSA-N 2 0 291.439 2.738 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC000415029586 381721495 /nfs/dbraw/zinc/72/14/95/381721495.db2.gz DYMGNSXZQKYPLC-GXSJLCMTSA-N 2 0 256.752 2.696 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415028870 381721816 /nfs/dbraw/zinc/72/18/16/381721816.db2.gz AKQUIYIUVGSUPJ-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415032285 381723324 /nfs/dbraw/zinc/72/33/24/381723324.db2.gz ABQVQLPSBOLSLD-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415036535 381724974 /nfs/dbraw/zinc/72/49/74/381724974.db2.gz LLKGCTCCONXIKS-CVEARBPZSA-N 2 0 276.424 2.938 20 0 CFADRP CO[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC[C@@H]1C ZINC000343459561 381726818 /nfs/dbraw/zinc/72/68/18/381726818.db2.gz DQCFDOCHJZBALW-SWLSCSKDSA-N 2 0 291.420 2.791 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1C[NH3+] ZINC000415100396 381781575 /nfs/dbraw/zinc/78/15/75/381781575.db2.gz AEDFSYVFZONODX-GXTWGEPZSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000360548620 381785237 /nfs/dbraw/zinc/78/52/37/381785237.db2.gz CVFYOXGVSDKUOO-OWCLPIDISA-N 2 0 250.430 2.888 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCC(C)(C)[NH3+] ZINC000415112047 381787219 /nfs/dbraw/zinc/78/72/19/381787219.db2.gz CPUCNFLXNIPAJA-HNNXBMFYSA-N 2 0 289.467 2.888 20 0 CFADRP CC(C)(C)c1cccc(OCC[NH2+]C2CC[NH2+]CC2)c1 ZINC000415112165 381787242 /nfs/dbraw/zinc/78/72/42/381787242.db2.gz RLTUVTCWYKRGQP-UHFFFAOYSA-N 2 0 276.424 2.705 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH2+]1 ZINC000415118125 381790188 /nfs/dbraw/zinc/79/01/88/381790188.db2.gz GWJLBGNVEJHSIN-NUJGCVRESA-N 2 0 288.435 2.918 20 0 CFADRP C[NH2+]CCC[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000415117155 381790654 /nfs/dbraw/zinc/79/06/54/381790654.db2.gz BUIGCYFXIYSCRB-LBPRGKRZSA-N 2 0 254.805 2.985 20 0 CFADRP CC[N@H+](CC[C@@H]1CCOC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349010944 381791930 /nfs/dbraw/zinc/79/19/30/381791930.db2.gz QUKRFZYZSWOJDV-GOSISDBHSA-N 2 0 290.451 2.997 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415123868 381794546 /nfs/dbraw/zinc/79/45/46/381794546.db2.gz JVIFKQLAIAOXCG-SWLSCSKDSA-N 2 0 292.471 2.672 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415123375 381794716 /nfs/dbraw/zinc/79/47/16/381794716.db2.gz JKKVIZRVEAWXTR-XJKSGUPXSA-N 2 0 276.424 2.674 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc2cccnc12 ZINC000415124993 381794853 /nfs/dbraw/zinc/79/48/53/381794853.db2.gz KUJYPSLOZKKRGJ-GUYCJALGSA-N 2 0 283.419 2.960 20 0 CFADRP CC[N@H+](C)C[C@H]1CCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343561072 381797342 /nfs/dbraw/zinc/79/73/42/381797342.db2.gz ZTRKMFYLKSTRQL-OAHLLOKOSA-N 2 0 278.444 2.546 20 0 CFADRP Cc1ccc(NC[C@@H]2CC[NH2+][C@@H](C)C2)c(C[NH+](C)C)c1 ZINC000415128005 381797828 /nfs/dbraw/zinc/79/78/28/381797828.db2.gz WZWJVGIGUYXUOF-LSDHHAIUSA-N 2 0 275.440 2.857 20 0 CFADRP CC(C)CCCN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415131571 381799013 /nfs/dbraw/zinc/79/90/13/381799013.db2.gz ZLVQQSDXDWAZKU-GOEBONIOSA-N 2 0 264.388 2.988 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC000415079293 381765794 /nfs/dbraw/zinc/76/57/94/381765794.db2.gz WSBLOTVMXCRTNL-UTUOFQBUSA-N 2 0 264.335 2.839 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000415080781 381766360 /nfs/dbraw/zinc/76/63/60/381766360.db2.gz JRXNAYLLARIVKQ-DJIMGWMZSA-N 2 0 275.440 2.941 20 0 CFADRP Cc1cccc(C)c1CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415084198 381769416 /nfs/dbraw/zinc/76/94/16/381769416.db2.gz OLIZTXLKSIRMHB-JKSUJKDBSA-N 2 0 260.425 2.824 20 0 CFADRP C[NH+]1CCN(CCC(C)(C)[NH2+]CC2CCCCC2)CC1 ZINC000185894696 381771980 /nfs/dbraw/zinc/77/19/80/381771980.db2.gz AHMWLQFTCBGMOL-UHFFFAOYSA-N 2 0 281.488 2.572 20 0 CFADRP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000415087118 381773576 /nfs/dbraw/zinc/77/35/76/381773576.db2.gz KMBHPKCGWKLIAE-IAQYHMDHSA-N 2 0 282.815 2.758 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2Br)CC[NH2+]1 ZINC000415087692 381773898 /nfs/dbraw/zinc/77/38/98/381773898.db2.gz WJDVHKKHRZOXIO-NEPJUHHUSA-N 2 0 297.240 2.927 20 0 CFADRP CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415089236 381774785 /nfs/dbraw/zinc/77/47/85/381774785.db2.gz YOCHIBYTRBSYLW-YHUYYLMFSA-N 2 0 268.445 2.844 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000415090206 381775237 /nfs/dbraw/zinc/77/52/37/381775237.db2.gz YPSSQPBISHAYJJ-GOEBONIOSA-N 2 0 284.407 2.665 20 0 CFADRP C[C@H](C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1)Cc1cccs1 ZINC000415090650 381777050 /nfs/dbraw/zinc/77/70/50/381777050.db2.gz ZCQAPACAXLVSHS-MJBXVCDLSA-N 2 0 266.454 2.904 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1F ZINC000415091993 381777678 /nfs/dbraw/zinc/77/76/78/381777678.db2.gz RQHIACDITMTWFN-JSGCOSHPSA-N 2 0 280.387 2.702 20 0 CFADRP CSC1(C[N@H+](C)CC2CC[NH+](C)CC2)CCC1 ZINC000356232126 381834119 /nfs/dbraw/zinc/83/41/19/381834119.db2.gz OSZOORYJPQXHKR-UHFFFAOYSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000415136852 381802607 /nfs/dbraw/zinc/80/26/07/381802607.db2.gz HZVIAEDCZNOPEC-FVQBIDKESA-N 2 0 291.414 2.525 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000372393210 381803430 /nfs/dbraw/zinc/80/34/30/381803430.db2.gz QFGCWORUAJDUBG-IXDOHACOSA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000186346495 381887526 /nfs/dbraw/zinc/88/75/26/381887526.db2.gz UXSYLFQMQISSRH-GOEBONIOSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292837288 381858196 /nfs/dbraw/zinc/85/81/96/381858196.db2.gz AXNBHMNYAGEEOW-GOSISDBHSA-N 2 0 272.436 2.955 20 0 CFADRP Cc1nn(-c2ccccc2)cc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000356889472 381886843 /nfs/dbraw/zinc/88/68/43/381886843.db2.gz FGFVHFJNLPXEOE-RDTXWAMCSA-N 2 0 298.434 2.611 20 0 CFADRP CCc1cccnc1[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000356862714 381869935 /nfs/dbraw/zinc/86/99/35/381869935.db2.gz BEIZQDBBWHIRET-IMJJTQAJSA-N 2 0 273.424 2.921 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356863277 381870083 /nfs/dbraw/zinc/87/00/83/381870083.db2.gz KBXDALWONIDRAX-GDBMZVCRSA-N 2 0 268.445 2.513 20 0 CFADRP COc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1O ZINC000292865434 381872159 /nfs/dbraw/zinc/87/21/59/381872159.db2.gz AZQNYMLYWYSLHI-UHFFFAOYSA-N 2 0 292.423 2.757 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000361928573 381873023 /nfs/dbraw/zinc/87/30/23/381873023.db2.gz WTRKTDBTCLZANY-BKAAIYKLSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000356905795 381898201 /nfs/dbraw/zinc/89/82/01/381898201.db2.gz VNBZFQCQPOTSQX-RHSMWYFYSA-N 2 0 276.424 2.653 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)CC1(SC)CC1 ZINC000349353542 381902073 /nfs/dbraw/zinc/90/20/73/381902073.db2.gz RRGYOAMUVCTZEV-UHFFFAOYSA-N 2 0 258.475 2.936 20 0 CFADRP Cc1ccncc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373115608 381930396 /nfs/dbraw/zinc/93/03/96/381930396.db2.gz MKYQNOBUKPQWSJ-CQSZACIVSA-N 2 0 270.380 2.503 20 0 CFADRP c1ccc2c(c1)CO[C@@]21CCN(CCC[NH+]2CCCC2)C1 ZINC000186606458 381962470 /nfs/dbraw/zinc/96/24/70/381962470.db2.gz HNKUZLOEWZJWPF-GOSISDBHSA-N 2 0 286.419 2.604 20 0 CFADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000373257095 381963146 /nfs/dbraw/zinc/96/31/46/381963146.db2.gz SYGUZQUYDZAQGC-UHFFFAOYSA-N 2 0 295.515 2.772 20 0 CFADRP CC(C)OC1CC([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000186554273 381946702 /nfs/dbraw/zinc/94/67/02/381946702.db2.gz UJYWCNOTSGVKDS-UHFFFAOYSA-N 2 0 280.456 2.939 20 0 CFADRP C=Cn1cc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000373202284 381946753 /nfs/dbraw/zinc/94/67/53/381946753.db2.gz HOOULBGEYVELJQ-QZTJIDSGSA-N 2 0 296.418 2.766 20 0 CFADRP CCN(CCO)CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000186579619 381952420 /nfs/dbraw/zinc/95/24/20/381952420.db2.gz QWNBEYLPHLDJLQ-UHFFFAOYSA-N 2 0 290.451 2.617 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCOCC[NH3+])cc1 ZINC000357084411 382003073 /nfs/dbraw/zinc/00/30/73/382003073.db2.gz QEAPYLHXIMNSRL-DLBZAZTESA-N 2 0 276.424 2.538 20 0 CFADRP Fc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000357043618 381983915 /nfs/dbraw/zinc/98/39/15/381983915.db2.gz GRQKFBAYDHLNQI-CYBMUJFWSA-N 2 0 280.362 2.786 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc2c1CCC2 ZINC000357055394 381991589 /nfs/dbraw/zinc/99/15/89/381991589.db2.gz RAVJYGDKVUQKGT-IBGZPJMESA-N 2 0 284.447 2.997 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCC1)CC2 ZINC000374371647 382045617 /nfs/dbraw/zinc/04/56/17/382045617.db2.gz ZAHGFMSEKAPBFW-UHFFFAOYSA-N 2 0 288.435 2.582 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(-n2ccnc2)cc1 ZINC000293262552 382051489 /nfs/dbraw/zinc/05/14/89/382051489.db2.gz CBWMXDNQWNCHNV-LSDHHAIUSA-N 2 0 286.423 2.721 20 0 CFADRP CN(CC[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351771766 382061719 /nfs/dbraw/zinc/06/17/19/382061719.db2.gz GSOATHPMCQMKJG-IRXDYDNUSA-N 3 0 281.488 2.667 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300410393 382062076 /nfs/dbraw/zinc/06/20/76/382062076.db2.gz HIJMTCDSORABGE-MXWKQRLJSA-N 2 0 250.308 2.544 20 0 CFADRP Cc1sccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000351807046 382063260 /nfs/dbraw/zinc/06/32/60/382063260.db2.gz GPRVCIMJKKGDMW-OWCLPIDISA-N 2 0 294.464 2.740 20 0 CFADRP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccccc43)C[C@@H]21 ZINC000375047989 382064827 /nfs/dbraw/zinc/06/48/27/382064827.db2.gz GHNXQUBNUUSEMW-DYVFJYSZSA-N 2 0 267.376 2.765 20 0 CFADRP CCCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000343921749 382020499 /nfs/dbraw/zinc/02/04/99/382020499.db2.gz HLYUQXOXZJNFNK-QZTJIDSGSA-N 2 0 290.451 2.964 20 0 CFADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CC(C)(C)C1 ZINC000343924845 382022562 /nfs/dbraw/zinc/02/25/62/382022562.db2.gz HYCRCDWLMUOHSU-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000186873997 382034315 /nfs/dbraw/zinc/03/43/15/382034315.db2.gz BAZZCQFCYIJIBS-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344066104 382103975 /nfs/dbraw/zinc/10/39/75/382103975.db2.gz POWRJTKYPNVTPF-OAHLLOKOSA-N 2 0 295.446 2.702 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CCC[NH+]2CCCC2)C[C@@H]1OC ZINC000344069462 382106898 /nfs/dbraw/zinc/10/68/98/382106898.db2.gz CHTUBHCLNAQPED-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1[C@@H](C)C[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000293399652 382108856 /nfs/dbraw/zinc/10/88/56/382108856.db2.gz LMPQJKUOHBQXCL-DLBZAZTESA-N 2 0 287.451 2.539 20 0 CFADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n(C)n1 ZINC000417844892 382080521 /nfs/dbraw/zinc/08/05/21/382080521.db2.gz QNEMGYRLUOBSHF-UHFFFAOYSA-N 2 0 298.434 2.614 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C[NH+](C)C ZINC000293335977 382084762 /nfs/dbraw/zinc/08/47/62/382084762.db2.gz GHSBQQDSNUAUEM-XHDPSFHLSA-N 2 0 250.361 2.600 20 0 CFADRP Cc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(C)n1 ZINC000187072552 382091929 /nfs/dbraw/zinc/09/19/29/382091929.db2.gz UWEXDJHHSOVQNM-INIZCTEOSA-N 2 0 273.424 2.616 20 0 CFADRP COC[C@H](C)[NH2+][C@@H]1C[C@H](C2CC2)N(Cc2ccccc2)C1 ZINC000376834042 382182459 /nfs/dbraw/zinc/18/24/59/382182459.db2.gz LQJPRDZAWJAELJ-BMGDILEWSA-N 2 0 288.435 2.664 20 0 CFADRP Cc1cc(C)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344107749 382132862 /nfs/dbraw/zinc/13/28/62/382132862.db2.gz ZAVWGHDEDRICBC-UHFFFAOYSA-N 2 0 291.483 2.619 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000376546681 382143110 /nfs/dbraw/zinc/14/31/10/382143110.db2.gz DLQVZZQOGVHAIT-DJIMGWMZSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000344129332 382147438 /nfs/dbraw/zinc/14/74/38/382147438.db2.gz XSGUYXJXPZRZHE-NRSFXHEJSA-N 2 0 288.435 2.837 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1cccc(O)c1Cl ZINC000293521599 382155755 /nfs/dbraw/zinc/15/57/55/382155755.db2.gz BCAIKIQTHIEADY-DGCLKSJQSA-N 2 0 282.815 2.818 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccsc1C ZINC000293526381 382157949 /nfs/dbraw/zinc/15/79/49/382157949.db2.gz IYNZRFWIYUKIHA-CQSZACIVSA-N 2 0 270.442 2.503 20 0 CFADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC1CCCC1 ZINC000344152601 382162956 /nfs/dbraw/zinc/16/29/56/382162956.db2.gz UUIWLJHQUHVOQQ-UHFFFAOYSA-N 2 0 281.488 2.526 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000293539584 382164061 /nfs/dbraw/zinc/16/40/61/382164061.db2.gz FWXVGGLKLPWZEL-KBMXLJTQSA-N 2 0 276.424 2.786 20 0 CFADRP CC(C)(C)SCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000376766797 382173340 /nfs/dbraw/zinc/17/33/40/382173340.db2.gz YONWFCYZTPTITB-AWEZNQCLSA-N 2 0 270.486 2.936 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1C ZINC000293616242 382197661 /nfs/dbraw/zinc/19/76/61/382197661.db2.gz JJOLIODSZRFVEA-JSGCOSHPSA-N 2 0 264.413 2.852 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000293627043 382203597 /nfs/dbraw/zinc/20/35/97/382203597.db2.gz JYXQAWQDHHFAQG-OLZOCXBDSA-N 2 0 280.412 2.552 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1(C)C ZINC000377077705 382211511 /nfs/dbraw/zinc/21/15/11/382211511.db2.gz LUPIPQSEXMSIRY-BMRXWSCTSA-N 2 0 280.456 2.793 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC000344227323 382213435 /nfs/dbraw/zinc/21/34/35/382213435.db2.gz STKDYKFZKOCZRJ-MAUKXSAKSA-N 2 0 289.467 2.568 20 0 CFADRP CC[C@H](O)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000293678709 382229625 /nfs/dbraw/zinc/22/96/25/382229625.db2.gz NBMQQRWWPGZJEU-ABHNRTSZSA-N 2 0 290.451 2.790 20 0 CFADRP C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)OCC1CCC1 ZINC000419200581 382240804 /nfs/dbraw/zinc/24/08/04/382240804.db2.gz BDMAHLTZCHGOIU-KRWDZBQOSA-N 2 0 280.456 2.611 20 0 CFADRP C[NH+](C)CCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352243261 382247139 /nfs/dbraw/zinc/24/71/39/382247139.db2.gz ZPSNGQBFMSXOPN-HYXAFXHYSA-N 2 0 254.324 2.519 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)C1C(C)(C)C1(C)C ZINC000344281047 382248281 /nfs/dbraw/zinc/24/82/81/382248281.db2.gz AEVNZDUFPXCHMV-LBPRGKRZSA-N 2 0 250.430 2.909 20 0 CFADRP Cc1ccncc1CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293719063 382248541 /nfs/dbraw/zinc/24/85/41/382248541.db2.gz TUGVPWKUDTZVOH-SFHVURJKSA-N 2 0 287.451 2.740 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC[NH+](C2CCCC2)CC1 ZINC000363877716 382248881 /nfs/dbraw/zinc/24/88/81/382248881.db2.gz FEBYXJSQKXXGOO-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000187706097 382253532 /nfs/dbraw/zinc/25/35/32/382253532.db2.gz KRGKCNGMASJFGD-AWEZNQCLSA-N 2 0 284.407 2.697 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000680351676 542310463 /nfs/dbraw/zinc/31/04/63/542310463.db2.gz DHKPGWUHLWSYTG-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccc1F)C1CC[NH+](C)CC1 ZINC000680353764 542311199 /nfs/dbraw/zinc/31/11/99/542311199.db2.gz NIKVIWPDCGXQLC-CQSZACIVSA-N 2 0 293.430 2.948 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000377397161 382264852 /nfs/dbraw/zinc/26/48/52/382264852.db2.gz JUJORPGBOMYLEO-BBWFWOEESA-N 2 0 292.398 2.797 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000344633740 382270870 /nfs/dbraw/zinc/27/08/70/382270870.db2.gz ALJINMSDTQGJGK-IAGOWNOFSA-N 2 0 294.483 2.780 20 0 CFADRP CCCC[N@H+](C)CCNc1cc[nH+]c2ccccc12 ZINC000352314834 382271508 /nfs/dbraw/zinc/27/15/08/382271508.db2.gz LSABYNPCGCTEBD-UHFFFAOYSA-N 2 0 257.381 2.801 20 0 CFADRP C[N@H+]([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCC(C)(C)C1 ZINC000377624974 382305409 /nfs/dbraw/zinc/30/54/09/382305409.db2.gz KABKYTYRNXTJDJ-IAGOWNOFSA-N 2 0 293.499 2.665 20 0 CFADRP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCO1 ZINC000345767357 382311083 /nfs/dbraw/zinc/31/10/83/382311083.db2.gz GTHXFSBXSNACRN-MRXNPFEDSA-N 2 0 266.429 2.506 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000377656356 382312957 /nfs/dbraw/zinc/31/29/57/382312957.db2.gz XNZVNZVQFABSIR-SFHVURJKSA-N 2 0 297.402 2.871 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(F)c1 ZINC000187976018 382314758 /nfs/dbraw/zinc/31/47/58/382314758.db2.gz KFTVXIGJAMQQFH-QGZVFWFLSA-N 2 0 294.414 2.571 20 0 CFADRP CSc1ccccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000420294442 382345337 /nfs/dbraw/zinc/34/53/37/382345337.db2.gz STNJVKAOPCOXNE-UHFFFAOYSA-N 2 0 252.427 2.825 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCCc2sccc21)C[NH+](C)C ZINC000293896657 382326619 /nfs/dbraw/zinc/32/66/19/382326619.db2.gz ZKNOJVXKVRPNJG-DGCLKSJQSA-N 2 0 252.427 2.913 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420294610 382345468 /nfs/dbraw/zinc/34/54/68/382345468.db2.gz BKCVULJWGAUUKY-NXHRZFHOSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420294196 382345774 /nfs/dbraw/zinc/34/57/74/382345774.db2.gz AVZWUGMJWIKBKV-HLLBOEOZSA-N 2 0 258.409 2.864 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1C ZINC000377755422 382334970 /nfs/dbraw/zinc/33/49/70/382334970.db2.gz GKPBZMVCKLUSRU-OCCSQVGLSA-N 2 0 285.391 2.935 20 0 CFADRP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377757710 382337734 /nfs/dbraw/zinc/33/77/34/382337734.db2.gz AOMYCJMQJWMWKO-DOTOQJQBSA-N 2 0 284.407 2.501 20 0 CFADRP CCc1ccc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420253436 382337980 /nfs/dbraw/zinc/33/79/80/382337980.db2.gz DPBQZKWMAMAAIY-CABCVRRESA-N 2 0 281.403 2.843 20 0 CFADRP C[C@]1(c2ccccc2)CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420294143 382346190 /nfs/dbraw/zinc/34/61/90/382346190.db2.gz ARIBJXUIZOTMJP-RDJZCZTQSA-N 2 0 258.409 2.650 20 0 CFADRP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000364621551 382342087 /nfs/dbraw/zinc/34/20/87/382342087.db2.gz VWUQWAZWZOPKLC-INIZCTEOSA-N 2 0 266.429 2.507 20 0 CFADRP CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000357725042 382295598 /nfs/dbraw/zinc/29/55/98/382295598.db2.gz BNPUWKOHIZMSQA-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)C1(CC)CC ZINC000420299655 382349228 /nfs/dbraw/zinc/34/92/28/382349228.db2.gz JEZKRXFLJXRBNN-BZUAXINKSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000188124688 382349880 /nfs/dbraw/zinc/34/98/80/382349880.db2.gz YFZFIKIPAFMOKE-HOCLYGCPSA-N 2 0 296.430 2.703 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000420300255 382351228 /nfs/dbraw/zinc/35/12/28/382351228.db2.gz JTLFBJNTBAKLSM-OAHLLOKOSA-N 2 0 274.408 2.614 20 0 CFADRP CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420304008 382353086 /nfs/dbraw/zinc/35/30/86/382353086.db2.gz IGPMBQKDULHTLI-ULQDDVLXSA-N 2 0 258.409 2.808 20 0 CFADRP C[N@H+](CCCCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000420304720 382353291 /nfs/dbraw/zinc/35/32/91/382353291.db2.gz FNJDUGHYGWHWJG-NSHDSACASA-N 2 0 252.324 2.793 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188137121 382353935 /nfs/dbraw/zinc/35/39/35/382353935.db2.gz BESWWOKXEBEMBQ-LEUOFYLZSA-N 2 0 288.435 2.522 20 0 CFADRP CC[N@H+](CCOc1cccc(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000420303182 382354529 /nfs/dbraw/zinc/35/45/29/382354529.db2.gz CFOHRAOQCKQGKF-HNNXBMFYSA-N 2 0 292.423 2.538 20 0 CFADRP CC1CCN(C(=[NH2+])NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000303257615 382354949 /nfs/dbraw/zinc/35/49/49/382354949.db2.gz JRPBQWVNQHYNNV-OAHLLOKOSA-N 2 0 294.487 2.753 20 0 CFADRP CC1CCN(C(=[NH2+])NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000303251424 382354957 /nfs/dbraw/zinc/35/49/57/382354957.db2.gz AKYCICDDXLPEIH-UHFFFAOYSA-N 2 0 294.487 2.755 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000357868468 382355467 /nfs/dbraw/zinc/35/54/67/382355467.db2.gz FUTHNKQEQDTRJP-OAGGEKHMSA-N 2 0 294.483 2.902 20 0 CFADRP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C[C@@H]12 ZINC000420305838 382355861 /nfs/dbraw/zinc/35/58/61/382355861.db2.gz KOHFUYDEDOFKOW-BASLNEPJSA-N 2 0 274.383 2.872 20 0 CFADRP CO[C@]1(C)C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000420305842 382356292 /nfs/dbraw/zinc/35/62/92/382356292.db2.gz QBWVAPDNSPVOKL-SQWLQELKSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cn3)C[C@@H]21 ZINC000420307839 382357344 /nfs/dbraw/zinc/35/73/44/382357344.db2.gz MVECHCDLTYYSKH-LEWSCRJBSA-N 2 0 299.340 2.660 20 0 CFADRP CC(C)C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCC1 ZINC000303376581 382357586 /nfs/dbraw/zinc/35/75/86/382357586.db2.gz ORNOUQSCVHLLIO-MRXNPFEDSA-N 2 0 294.487 2.753 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](C(C)C)C2)cc1 ZINC000420311960 382359663 /nfs/dbraw/zinc/35/96/63/382359663.db2.gz WLZYCNGQIAGCFA-HOTGVXAUSA-N 2 0 276.424 2.715 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000420310861 382360537 /nfs/dbraw/zinc/36/05/37/382360537.db2.gz VGYDMGGKCPSSKH-CRAIPNDOSA-N 2 0 272.436 2.865 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1c1ccccc1 ZINC000420318114 382363902 /nfs/dbraw/zinc/36/39/02/382363902.db2.gz PIWHPHPLVGGHLD-SQNIBIBYSA-N 2 0 288.435 2.620 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@H+](CC(C)C)C2CC2)cc1 ZINC000420316083 382364281 /nfs/dbraw/zinc/36/42/81/382364281.db2.gz MJDGETCJTIKASJ-HNNXBMFYSA-N 2 0 276.424 2.858 20 0 CFADRP CC(C)n1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377882013 382364713 /nfs/dbraw/zinc/36/47/13/382364713.db2.gz BTVKFZYTMJJZDW-QGZVFWFLSA-N 2 0 290.455 2.628 20 0 CFADRP CC1CCC([NH+]2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420319054 382365262 /nfs/dbraw/zinc/36/52/62/382365262.db2.gz OUNKGSNJWYUWLX-ADKAHSJRSA-N 2 0 293.499 2.572 20 0 CFADRP CCCc1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420319921 382365902 /nfs/dbraw/zinc/36/59/02/382365902.db2.gz AZHBTQFJKNMUOY-KGLIPLIRSA-N 2 0 293.480 2.917 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420319164 382365988 /nfs/dbraw/zinc/36/59/88/382365988.db2.gz XGIRLHWXOZWJIZ-CYBMUJFWSA-N 2 0 252.427 2.742 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352565893 382397177 /nfs/dbraw/zinc/39/71/77/382397177.db2.gz BBLDCWMUEQIBSX-NFOMZHRRSA-N 2 0 268.445 2.654 20 0 CFADRP CCCC[N@H+](CC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420325048 382368695 /nfs/dbraw/zinc/36/86/95/382368695.db2.gz WARJAAMHOOAKKK-HNNXBMFYSA-N 2 0 264.413 2.860 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cs1 ZINC000420322287 382368841 /nfs/dbraw/zinc/36/88/41/382368841.db2.gz SJPVVOLIAVSRGF-TZMCWYRMSA-N 2 0 250.411 2.885 20 0 CFADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000365264528 382368932 /nfs/dbraw/zinc/36/89/32/382368932.db2.gz GNKPUWKUYNIJCS-INIZCTEOSA-N 2 0 299.418 2.775 20 0 CFADRP COc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420324002 382369108 /nfs/dbraw/zinc/36/91/08/382369108.db2.gz UWMORVRRQHHQBM-WMLDXEAASA-N 2 0 274.408 2.832 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352504099 382369278 /nfs/dbraw/zinc/36/92/78/382369278.db2.gz NEKFTSHMVAQMFD-MRXNPFEDSA-N 2 0 276.424 2.831 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352507771 382372797 /nfs/dbraw/zinc/37/27/97/382372797.db2.gz DCHWDMAFFPJYDW-CQSZACIVSA-N 2 0 294.464 2.991 20 0 CFADRP CCc1noc(C)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352512647 382375394 /nfs/dbraw/zinc/37/53/94/382375394.db2.gz YUNHTMVBFWKJTI-UHFFFAOYSA-N 2 0 279.428 2.886 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420341968 382375530 /nfs/dbraw/zinc/37/55/30/382375530.db2.gz PCADGQMWPJFFPC-IRXDYDNUSA-N 2 0 288.435 2.559 20 0 CFADRP CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334947 382375598 /nfs/dbraw/zinc/37/55/98/382375598.db2.gz UOYPULJXQSZFDN-DLBZAZTESA-N 2 0 288.435 2.825 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000420352920 382378209 /nfs/dbraw/zinc/37/82/09/382378209.db2.gz AYJCWXSRVNYPFY-UHFFFAOYSA-N 2 0 278.444 2.529 20 0 CFADRP CC[C@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420354770 382378710 /nfs/dbraw/zinc/37/87/10/382378710.db2.gz DIXTVUIVCPOGSF-PBHICJAKSA-N 2 0 258.409 2.823 20 0 CFADRP c1cncc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH2+]C2)c1 ZINC000420352306 382379189 /nfs/dbraw/zinc/37/91/89/382379189.db2.gz ABDIDJQQCVYPBO-ZBFHGGJFSA-N 2 0 259.397 2.608 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420360875 382384103 /nfs/dbraw/zinc/38/41/03/382384103.db2.gz LPGBEBXHBCJCHJ-INIZCTEOSA-N 2 0 276.424 2.606 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1cccc(O)c1)CC1CCCC1 ZINC000352536093 382384198 /nfs/dbraw/zinc/38/41/98/382384198.db2.gz ZFKPHXWRLIFPRX-UHFFFAOYSA-N 2 0 262.397 2.733 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000420364997 382384775 /nfs/dbraw/zinc/38/47/75/382384775.db2.gz RRHGJTMRMCZPTL-AWEZNQCLSA-N 2 0 286.423 2.660 20 0 CFADRP Fc1cc(F)c2c(c1)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420364446 382385366 /nfs/dbraw/zinc/38/53/66/382385366.db2.gz CWPSVZTVHHQFGI-LBPRGKRZSA-N 2 0 280.362 2.713 20 0 CFADRP c1nn([C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c2ccccc12 ZINC000420363666 382385768 /nfs/dbraw/zinc/38/57/68/382385768.db2.gz PSHCMELTMQRJPR-QGZVFWFLSA-N 2 0 298.434 2.673 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(F)cc(F)c1 ZINC000420365414 382386819 /nfs/dbraw/zinc/38/68/19/382386819.db2.gz SDANICTVXZGGLT-GFCCVEGCSA-N 2 0 268.351 2.786 20 0 CFADRP Cc1ncsc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352541217 382388907 /nfs/dbraw/zinc/38/89/07/382388907.db2.gz VEHFMCJYJZBXLI-UHFFFAOYSA-N 2 0 267.442 2.793 20 0 CFADRP C[NH2+]CCC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000420395716 382398296 /nfs/dbraw/zinc/39/82/96/382398296.db2.gz UMNNALXEIGVSNA-OAHLLOKOSA-N 2 0 250.361 2.744 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420369346 382389592 /nfs/dbraw/zinc/38/95/92/382389592.db2.gz IRQFXKLEDAMNHQ-NEPJUHHUSA-N 2 0 284.350 2.938 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(OC(F)F)cc1 ZINC000420373562 382391007 /nfs/dbraw/zinc/39/10/07/382391007.db2.gz MMSOWKNPKLVBGV-QWRGUYRKSA-N 2 0 270.323 2.548 20 0 CFADRP CCCCCCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000365425800 382392325 /nfs/dbraw/zinc/39/23/25/382392325.db2.gz XUDWKGFRJSXDFL-UHFFFAOYSA-N 2 0 280.460 2.698 20 0 CFADRP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCC[NH3+] ZINC000420377951 382392634 /nfs/dbraw/zinc/39/26/34/382392634.db2.gz SZSUNGLYPNQRBU-HIFRSBDPSA-N 2 0 262.397 2.817 20 0 CFADRP c1ccc(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420380578 382395113 /nfs/dbraw/zinc/39/51/13/382395113.db2.gz CFMHCWCUNSOYQK-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1N1CCCC1 ZINC000420297504 382346807 /nfs/dbraw/zinc/34/68/07/382346807.db2.gz GAAGSISSZVJWIW-MRXNPFEDSA-N 2 0 287.451 2.718 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000420296810 382347540 /nfs/dbraw/zinc/34/75/40/382347540.db2.gz FAAXRFMNVXUJPE-MRXNPFEDSA-N 2 0 288.435 2.858 20 0 CFADRP C[N@H+](CCOc1ccc(Cl)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420295477 382348362 /nfs/dbraw/zinc/34/83/62/382348362.db2.gz AOZUTJPALZLWLA-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000365633767 382426685 /nfs/dbraw/zinc/42/66/85/382426685.db2.gz WKXFYYNDLMHMTP-KRWDZBQOSA-N 2 0 299.418 2.946 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000358048333 382429262 /nfs/dbraw/zinc/42/92/62/382429262.db2.gz PMVPKFQHNBFALL-QZTJIDSGSA-N 2 0 270.420 2.618 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000305164793 382430616 /nfs/dbraw/zinc/43/06/16/382430616.db2.gz YCMOVPWYATYJPG-CABCVRRESA-N 2 0 270.461 2.638 20 0 CFADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@H]1CCOc2ccccc21 ZINC000378336271 382438527 /nfs/dbraw/zinc/43/85/27/382438527.db2.gz RXSRDQRQTWYTND-JKSUJKDBSA-N 2 0 288.435 2.826 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000358084183 382443436 /nfs/dbraw/zinc/44/34/36/382443436.db2.gz LVQVEEFGXZTMAO-CJNGLKHVSA-N 2 0 271.408 2.640 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000358084179 382444222 /nfs/dbraw/zinc/44/42/22/382444222.db2.gz LVQVEEFGXZTMAO-BBRMVZONSA-N 2 0 271.408 2.640 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000346638237 382448634 /nfs/dbraw/zinc/44/86/34/382448634.db2.gz IHRXDTMDGCYPLV-UHFFFAOYSA-N 2 0 284.350 2.501 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000346631878 382445309 /nfs/dbraw/zinc/44/53/09/382445309.db2.gz CYBHRVOENAPXTM-UHFFFAOYSA-N 2 0 287.432 2.981 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000420401263 382399998 /nfs/dbraw/zinc/39/99/98/382399998.db2.gz JAXQWMKXQVIITG-JTQLQIEISA-N 2 0 276.302 2.845 20 0 CFADRP c1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420420722 382403079 /nfs/dbraw/zinc/40/30/79/382403079.db2.gz YIXNMHZVGNTUMG-NXHRZFHOSA-N 2 0 288.435 2.744 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346563795 382415856 /nfs/dbraw/zinc/41/58/56/382415856.db2.gz RGWPYLKMERNZHI-LSDHHAIUSA-N 2 0 256.434 2.656 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000346634741 382447271 /nfs/dbraw/zinc/44/72/71/382447271.db2.gz GLHAKOMAQQQSQD-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP Cc1sccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000294110914 382420105 /nfs/dbraw/zinc/42/01/05/382420105.db2.gz FUGRBEMFEHOVIJ-CABCVRRESA-N 2 0 264.438 2.973 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168284476 322389043 /nfs/dbraw/zinc/38/90/43/322389043.db2.gz JBDIUWXJLIIQNN-OAHLLOKOSA-N 2 0 268.445 2.822 20 0 CFADRP COc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000346639270 382449033 /nfs/dbraw/zinc/44/90/33/382449033.db2.gz JTZVBNNYDUZJQM-JQWIXIFHSA-N 2 0 298.814 2.526 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1C ZINC000378402499 382455251 /nfs/dbraw/zinc/45/52/51/382455251.db2.gz LWQGHMCPHUKJFS-WMLDXEAASA-N 2 0 298.434 2.659 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1cnc(C2CCC2)s1 ZINC000346652017 382456076 /nfs/dbraw/zinc/45/60/76/382456076.db2.gz DJSWXKDUKCWZMU-WDEREUQCSA-N 2 0 265.426 2.580 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000358121188 382459974 /nfs/dbraw/zinc/45/99/74/382459974.db2.gz DXKFDTQXQWUYPU-IUODEOHRSA-N 2 0 298.377 2.760 20 0 CFADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000346666767 382462210 /nfs/dbraw/zinc/46/22/10/382462210.db2.gz YWOWZMUGNQJBNU-ZFWWWQNUSA-N 2 0 290.455 2.637 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000346679373 382467333 /nfs/dbraw/zinc/46/73/33/382467333.db2.gz MLDCEJOYDIESCF-STQMWFEESA-N 2 0 287.432 2.979 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346691947 382476033 /nfs/dbraw/zinc/47/60/33/382476033.db2.gz WUQHMIWBENQRHL-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP COc1ccc([C@H](C)C[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000346693304 382476166 /nfs/dbraw/zinc/47/61/66/382476166.db2.gz MFBIEWZBZPWUML-CYBMUJFWSA-N 2 0 264.413 2.715 20 0 CFADRP CC(C)N(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000308461532 382476965 /nfs/dbraw/zinc/47/69/65/382476965.db2.gz RVALVLPSEYUJMF-UHFFFAOYSA-N 2 0 254.805 2.812 20 0 CFADRP CCSCC[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000352809123 382476989 /nfs/dbraw/zinc/47/69/89/382476989.db2.gz FWYZMSAXJQWQSL-OBJOEFQTSA-N 2 0 256.459 2.590 20 0 CFADRP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000378523037 382477655 /nfs/dbraw/zinc/47/76/55/382477655.db2.gz ZBDWTSPIXZFNCR-XIRDDKMYSA-N 2 0 276.424 2.694 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000358161316 382478334 /nfs/dbraw/zinc/47/83/34/382478334.db2.gz WWIXKNXBBBHBKK-XJKSGUPXSA-N 2 0 272.392 2.905 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC1CC1 ZINC000346695232 382480118 /nfs/dbraw/zinc/48/01/18/382480118.db2.gz ZBXYXHXKAOOABE-HIFRSBDPSA-N 2 0 274.408 2.645 20 0 CFADRP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](C)CC1CCOCC1 ZINC000346695308 382480542 /nfs/dbraw/zinc/48/05/42/382480542.db2.gz ZRYONBBFLNEJGN-ZBFHGGJFSA-N 2 0 270.461 2.744 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000378590757 382487630 /nfs/dbraw/zinc/48/76/30/382487630.db2.gz QVRAZVXOTYGFCI-AWEZNQCLSA-N 2 0 296.846 2.658 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C[NH+](C)C ZINC000310766273 382496712 /nfs/dbraw/zinc/49/67/12/382496712.db2.gz NUXWJBQSZLHJPN-GRYCIOLGSA-N 2 0 266.351 2.895 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000358248023 382526033 /nfs/dbraw/zinc/52/60/33/382526033.db2.gz GSFSKVKESRRTLB-PBHICJAKSA-N 2 0 258.409 2.995 20 0 CFADRP C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@@]1(C)C[NH3+] ZINC000311060151 382500520 /nfs/dbraw/zinc/50/05/20/382500520.db2.gz WTJKBMYZOTVXBI-QMTHXVAHSA-N 2 0 270.779 2.896 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379633361 382508206 /nfs/dbraw/zinc/50/82/06/382508206.db2.gz OQCDOXZDSRSMGD-HZPDHXFCSA-N 3 0 277.456 2.614 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000346788241 382510950 /nfs/dbraw/zinc/51/09/50/382510950.db2.gz HMCAWTXKNFEWOG-YNEHKIRRSA-N 2 0 258.475 2.694 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000346788234 382511493 /nfs/dbraw/zinc/51/14/93/382511493.db2.gz HMCAWTXKNFEWOG-FRRDWIJNSA-N 2 0 258.475 2.694 20 0 CFADRP c1ccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346818195 382528902 /nfs/dbraw/zinc/52/89/02/382528902.db2.gz BDLNZOZNRQTDTB-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP COc1cc(CN(C)CC(C)(C)[NH3+])ccc1SC ZINC000346843014 382539865 /nfs/dbraw/zinc/53/98/65/382539865.db2.gz JFPUGVSKBKXRCX-UHFFFAOYSA-N 2 0 268.426 2.586 20 0 CFADRP CC(C)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346851344 382544041 /nfs/dbraw/zinc/54/40/41/382544041.db2.gz JCBFFGRAQKCNAW-SZMVWBNQSA-N 2 0 288.435 2.891 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)CC1 ZINC000680649911 542347083 /nfs/dbraw/zinc/34/70/83/542347083.db2.gz GYKUDQZEIBNJLK-NWANDNLSSA-N 2 0 268.445 2.510 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346853774 382545920 /nfs/dbraw/zinc/54/59/20/382545920.db2.gz ALROEMJOSLXSDR-HUUCEWRRSA-N 2 0 291.414 2.844 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCNc2ccccc2F)[C@H](C)C1 ZINC000346866767 382551669 /nfs/dbraw/zinc/55/16/69/382551669.db2.gz HMJNYGMYJXQGOQ-ZBFHGGJFSA-N 2 0 293.430 2.948 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)[C@@H](C)C1 ZINC000358300023 382556942 /nfs/dbraw/zinc/55/69/42/382556942.db2.gz LJRJILMLVCFTBT-GUYCJALGSA-N 2 0 274.408 2.537 20 0 CFADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353515244 382557253 /nfs/dbraw/zinc/55/72/53/382557253.db2.gz CXHPGRAPSIPXKJ-RZFLPCETSA-N 2 0 293.499 2.712 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)cc2)[C@H]2CCC[C@H]21 ZINC000367600528 382576854 /nfs/dbraw/zinc/57/68/54/382576854.db2.gz KKUDQPLKGAKXHE-IXDOHACOSA-N 2 0 276.399 2.831 20 0 CFADRP Cc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000385100898 382565502 /nfs/dbraw/zinc/56/55/02/382565502.db2.gz HPZFEWMZKUZNQQ-CABCVRRESA-N 2 0 262.372 2.851 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000358319766 382565512 /nfs/dbraw/zinc/56/55/12/382565512.db2.gz ONGZSXQORSRDAY-QGTPRVQTSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1cccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000385100917 382565670 /nfs/dbraw/zinc/56/56/70/382565670.db2.gz HPZFEWMZKUZNQQ-HUUCEWRRSA-N 2 0 262.372 2.851 20 0 CFADRP Cc1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000385100921 382566031 /nfs/dbraw/zinc/56/60/31/382566031.db2.gz HPZFEWMZKUZNQQ-LSDHHAIUSA-N 2 0 262.372 2.851 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC[NH+](C)CC1 ZINC000353610824 382577656 /nfs/dbraw/zinc/57/76/56/382577656.db2.gz NXKHPISJYJUTKX-LSDHHAIUSA-N 2 0 282.497 2.982 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000358341442 382577758 /nfs/dbraw/zinc/57/77/58/382577758.db2.gz NQQQSOZLUTZHRM-KSZLIROESA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cnccc2OC)CC1 ZINC000346830804 382532919 /nfs/dbraw/zinc/53/29/19/382532919.db2.gz SJEBJTOBXOJXIN-UHFFFAOYSA-N 2 0 291.439 2.644 20 0 CFADRP CC[C@](C)(C[NH2+]CCN(C)Cc1ccccc1)OC ZINC000319056999 382533064 /nfs/dbraw/zinc/53/30/64/382533064.db2.gz NYVHNVAHTAOFLK-MRXNPFEDSA-N 2 0 264.413 2.523 20 0 CFADRP CN1CC[C@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)C1 ZINC000358260688 382533820 /nfs/dbraw/zinc/53/38/20/382533820.db2.gz VPXDBMNCXZGZDN-WMZOPIPTSA-N 2 0 290.451 2.820 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@](C)(CC)OC)CC1 ZINC000319548818 382534451 /nfs/dbraw/zinc/53/44/51/382534451.db2.gz CDJZIEFZIBACNP-HNNXBMFYSA-N 2 0 256.434 2.656 20 0 CFADRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CC1 ZINC000353607618 382575703 /nfs/dbraw/zinc/57/57/03/382575703.db2.gz HIGTXEXVFKVUSF-ZDUSSCGKSA-N 2 0 256.459 2.592 20 0 CFADRP CSC1(C[NH2+][C@@H](C)C2CCC2)CC[NH+](C)CC1 ZINC000353627008 382584309 /nfs/dbraw/zinc/58/43/09/382584309.db2.gz JLTCRQZUSQJPRN-LBPRGKRZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000386411018 382587368 /nfs/dbraw/zinc/58/73/68/382587368.db2.gz IMGYIEQDGWPKGS-CZUORRHYSA-N 2 0 271.408 2.831 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2nccs2)[C@@H]2CCC[C@H]21 ZINC000353635038 382588897 /nfs/dbraw/zinc/58/88/97/382588897.db2.gz XVYMVYBVTJFTTL-MELADBBJSA-N 2 0 279.453 2.538 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353643944 382592095 /nfs/dbraw/zinc/59/20/95/382592095.db2.gz LLNGRYQJCIYMQQ-MPESAESLSA-N 2 0 291.439 2.857 20 0 CFADRP C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000358387284 382596680 /nfs/dbraw/zinc/59/66/80/382596680.db2.gz BBKQSPIOERQPAZ-SUNKGSAMSA-N 2 0 284.350 2.889 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000387332388 382597253 /nfs/dbraw/zinc/59/72/53/382597253.db2.gz DFTBHUDUERPFTJ-LBPRGKRZSA-N 2 0 260.372 2.884 20 0 CFADRP CCOCCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000388310077 382604807 /nfs/dbraw/zinc/60/48/07/382604807.db2.gz TXMLCQBKXLVIQB-GJZGRUSLSA-N 2 0 256.434 2.704 20 0 CFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000388740949 382609497 /nfs/dbraw/zinc/60/94/97/382609497.db2.gz JJGPQAZNEICVQE-OWCLPIDISA-N 2 0 269.477 2.616 20 0 CFADRP Cc1nc2ccccn2c1CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000353736146 382620700 /nfs/dbraw/zinc/62/07/00/382620700.db2.gz FZYLADMKGPJIRT-ZBFHGGJFSA-N 2 0 298.434 2.701 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c[nH]nc32)[C@@H](C)C1 ZINC000353749252 382625410 /nfs/dbraw/zinc/62/54/10/382625410.db2.gz VIVHJRVEGYNWEG-BBRMVZONSA-N 2 0 286.423 2.725 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c[nH]nc32)C[C@@H]1C ZINC000353752389 382626468 /nfs/dbraw/zinc/62/64/68/382626468.db2.gz LCIMFSHVXCVKMY-XJKSGUPXSA-N 2 0 286.423 2.868 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000367620587 382578151 /nfs/dbraw/zinc/57/81/51/382578151.db2.gz YJNXZXKGWRMSRE-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP CCN1C[C@H]([NH2+]CC2(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000358345823 382579983 /nfs/dbraw/zinc/57/99/83/382579983.db2.gz OZOFPFAFLPWNKN-RDJZCZTQSA-N 2 0 272.436 2.939 20 0 CFADRP C[C@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000385924980 382581064 /nfs/dbraw/zinc/58/10/64/382581064.db2.gz AUMIDEMQZYPXNU-GJZGRUSLSA-N 2 0 286.423 2.547 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358346601 382581918 /nfs/dbraw/zinc/58/19/18/382581918.db2.gz AEUVRRQFSVSXCQ-UONOGXRCSA-N 2 0 258.475 2.696 20 0 CFADRP Cc1cncc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000189803479 382641299 /nfs/dbraw/zinc/64/12/99/382641299.db2.gz UNWFNSHWHHRYRB-UHFFFAOYSA-N 2 0 261.413 2.554 20 0 CFADRP O[C@H](CC1CCCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000190602544 382674821 /nfs/dbraw/zinc/67/48/21/382674821.db2.gz BNLJZIVFMKBCCZ-ZWKOTPCHSA-N 2 0 294.483 2.735 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CC1CCCC1 ZINC000190604093 382674931 /nfs/dbraw/zinc/67/49/31/382674931.db2.gz HLSSOHMXDQSHCL-IAGOWNOFSA-N 2 0 282.472 2.734 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cccc3nccn32)CCS1 ZINC000190696213 382678062 /nfs/dbraw/zinc/67/80/62/382678062.db2.gz WCMURKFAILIDMD-LBPRGKRZSA-N 2 0 261.394 2.662 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(OC)n2)c1 ZINC000190955880 382686189 /nfs/dbraw/zinc/68/61/89/382686189.db2.gz SNPVCDMJPRECPF-UHFFFAOYSA-N 2 0 299.418 2.832 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C2CCN(C)CC2)cnn1C(C)C ZINC000191130677 382692210 /nfs/dbraw/zinc/69/22/10/382692210.db2.gz ZMQKMMWSBHFTMB-GFCCVEGCSA-N 2 0 264.417 2.517 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000192453333 382709153 /nfs/dbraw/zinc/70/91/53/382709153.db2.gz CMGCLDBNPTZUFB-GOEBONIOSA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C2CC2)C3)cc1 ZINC000192590088 382710548 /nfs/dbraw/zinc/71/05/48/382710548.db2.gz MFKXYVYDOGXHOC-ALOPSCKCSA-N 2 0 256.393 2.934 20 0 CFADRP CO[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193333801 382718767 /nfs/dbraw/zinc/71/87/67/382718767.db2.gz ZHAGUVOYIFRAIF-CCNLRDMRSA-N 2 0 288.435 2.807 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC2CCOCC2)CC1 ZINC000336829251 382725511 /nfs/dbraw/zinc/72/55/11/382725511.db2.gz BYABTKNQSWRPEX-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP CC(C)c1nnc([C@H](C)N[C@H](C)C[C@H]2CCCCC[NH2+]2)[nH]1 ZINC000575115342 382727570 /nfs/dbraw/zinc/72/75/70/382727570.db2.gz YSKWDOQTCMGLQJ-HZSPNIEDSA-N 2 0 293.459 2.890 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[NH+]1CCCC1 ZINC000336834422 382727717 /nfs/dbraw/zinc/72/77/17/382727717.db2.gz RGLOMDWGKUEXHA-HZPDHXFCSA-N 2 0 280.456 2.536 20 0 CFADRP CCC(C)(C)[C@H](C)[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000575137245 382728755 /nfs/dbraw/zinc/72/87/55/382728755.db2.gz WUEXORHLUIPJMS-GJZGRUSLSA-N 2 0 270.461 2.902 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC2 ZINC000336836531 382729011 /nfs/dbraw/zinc/72/90/11/382729011.db2.gz WQYKUGNTZKWVFI-CXAGYDPISA-N 2 0 276.424 2.860 20 0 CFADRP c1ccc(OCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000575181776 382730085 /nfs/dbraw/zinc/73/00/85/382730085.db2.gz ZRJGPSZJCIVKGY-KRWDZBQOSA-N 2 0 274.408 2.531 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000575235287 382732378 /nfs/dbraw/zinc/73/23/78/382732378.db2.gz AVDJVEVHPUEAGR-LSDHHAIUSA-N 2 0 270.486 2.838 20 0 CFADRP C[C@H]1C[N@H+](CCCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000337173117 382771607 /nfs/dbraw/zinc/77/16/07/382771607.db2.gz GCGXGLGOYITODX-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000219460605 382794192 /nfs/dbraw/zinc/79/41/92/382794192.db2.gz DILWDUWMXZVYDT-UHFFFAOYSA-N 2 0 288.313 2.756 20 0 CFADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000337288034 382794641 /nfs/dbraw/zinc/79/46/41/382794641.db2.gz AMSWRSHVGSHQGB-DLBZAZTESA-N 2 0 281.488 2.665 20 0 CFADRP C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000216004601 382781280 /nfs/dbraw/zinc/78/12/80/382781280.db2.gz UUKRYHGZEJAICL-LSDHHAIUSA-N 2 0 261.413 2.997 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000194420843 382743988 /nfs/dbraw/zinc/74/39/88/382743988.db2.gz JOJXFQXBQMUXQL-KRWDZBQOSA-N 2 0 274.408 2.921 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000194536722 382747258 /nfs/dbraw/zinc/74/72/58/382747258.db2.gz WMNHENSEPWZSCX-QXSJWSMHSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCOCC[NH+](C)C ZINC000219318001 382793374 /nfs/dbraw/zinc/79/33/74/382793374.db2.gz AQMHEALAGMDXOY-MRXNPFEDSA-N 2 0 292.467 2.911 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@H]21 ZINC000228473391 382847032 /nfs/dbraw/zinc/84/70/32/382847032.db2.gz ORLSNLCZEKWITF-BPLDGKMQSA-N 2 0 296.361 2.847 20 0 CFADRP Cc1ncc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)n1C ZINC000577078036 382847336 /nfs/dbraw/zinc/84/73/36/382847336.db2.gz ROJFKMDEPMIZRK-SFHVURJKSA-N 2 0 298.434 2.655 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000220340447 382795921 /nfs/dbraw/zinc/79/59/21/382795921.db2.gz KXASHQQOSCNFEP-CMPLNLGQSA-N 2 0 288.313 2.754 20 0 CFADRP CC(C)Oc1cccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1 ZINC000220382231 382796385 /nfs/dbraw/zinc/79/63/85/382796385.db2.gz OLCPNHWGCIGZPM-INIZCTEOSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)COCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000337324910 382801851 /nfs/dbraw/zinc/80/18/51/382801851.db2.gz UUPNZQMQCAUHDK-HOTGVXAUSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc(CN2CCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000575868281 382802386 /nfs/dbraw/zinc/80/23/86/382802386.db2.gz ZZCPXFXHNBAIOB-NSHDSACASA-N 2 0 268.788 2.519 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000575914150 382803672 /nfs/dbraw/zinc/80/36/72/382803672.db2.gz IXRWREJLTBCHMC-ARFHVFGLSA-N 2 0 268.445 2.559 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000337336891 382804703 /nfs/dbraw/zinc/80/47/03/382804703.db2.gz MLMPZAIADSZHRO-UHFFFAOYSA-N 2 0 276.424 2.832 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337339077 382805082 /nfs/dbraw/zinc/80/50/82/382805082.db2.gz OJWVOAMKXOJFJR-XJKSGUPXSA-N 2 0 276.424 2.830 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000337338959 382805306 /nfs/dbraw/zinc/80/53/06/382805306.db2.gz OFLQMQGWYPSWQD-HUUCEWRRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000337340984 382805734 /nfs/dbraw/zinc/80/57/34/382805734.db2.gz PYYZMIYQUARLNT-MRXNPFEDSA-N 2 0 278.440 2.912 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000337340983 382805822 /nfs/dbraw/zinc/80/58/22/382805822.db2.gz PYYZMIYQUARLNT-INIZCTEOSA-N 2 0 278.440 2.912 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(OC)c1 ZINC000337344568 382806483 /nfs/dbraw/zinc/80/64/83/382806483.db2.gz ZFZRDSPYZWVVLH-UHFFFAOYSA-N 2 0 264.413 2.859 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000337347620 382807473 /nfs/dbraw/zinc/80/74/73/382807473.db2.gz XSYIMHKXZKZCLH-OAHLLOKOSA-N 2 0 294.439 2.530 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(F)c1F ZINC000223940427 382808004 /nfs/dbraw/zinc/80/80/04/382808004.db2.gz DSRJUNYGKODKAJ-LLVKDONJSA-N 2 0 256.340 2.957 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000337357360 382808966 /nfs/dbraw/zinc/80/89/66/382808966.db2.gz BBSOFDWSUKBVPD-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000576146610 382812056 /nfs/dbraw/zinc/81/20/56/382812056.db2.gz WNEQQAFCKIWPAJ-KBPBESRZSA-N 2 0 250.386 2.580 20 0 CFADRP Cc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc2cccnc12 ZINC000576160126 382812441 /nfs/dbraw/zinc/81/24/41/382812441.db2.gz WYOYBBKKGNQDNO-QWHCGFSZSA-N 2 0 257.381 2.759 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000337419473 382818026 /nfs/dbraw/zinc/81/80/26/382818026.db2.gz FDXQWMXKLAHFRT-HUUCEWRRSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226325103 382826969 /nfs/dbraw/zinc/82/69/69/382826969.db2.gz KMZRULDOQSTQAI-STQMWFEESA-N 2 0 250.361 2.948 20 0 CFADRP CC(C)N(C)C[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000576676355 382831746 /nfs/dbraw/zinc/83/17/46/382831746.db2.gz KHIZELCWLZIPQA-AWEZNQCLSA-N 2 0 260.425 2.720 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000227139953 382834370 /nfs/dbraw/zinc/83/43/70/382834370.db2.gz ATKSXQHQMZNBPT-JYJNAYRXSA-N 2 0 291.439 2.524 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000227376647 382836832 /nfs/dbraw/zinc/83/68/32/382836832.db2.gz QLNCXBHZWDUABC-FZMZJTMJSA-N 2 0 288.395 2.550 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(CO)c1 ZINC000227457518 382837194 /nfs/dbraw/zinc/83/71/94/382837194.db2.gz BRTWACGCLZHZBH-WMLDXEAASA-N 2 0 276.424 2.579 20 0 CFADRP CN(Cc1cnc(C2CC2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576822298 382837603 /nfs/dbraw/zinc/83/76/03/382837603.db2.gz AMUKPIGKBAWHKQ-FUNVUKJBSA-N 2 0 277.437 2.735 20 0 CFADRP CN(C)[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccco1 ZINC000227535184 382837685 /nfs/dbraw/zinc/83/76/85/382837685.db2.gz OXRBBZQYACBWQT-BZUAXINKSA-N 2 0 285.391 2.617 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337543518 382839859 /nfs/dbraw/zinc/83/98/59/382839859.db2.gz KBEBBRRXSRECSR-STQMWFEESA-N 2 0 276.371 2.609 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000576992079 382843887 /nfs/dbraw/zinc/84/38/87/382843887.db2.gz DZSAFLXSACCZIL-DLBZAZTESA-N 2 0 260.425 2.939 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c2ccccc2n1 ZINC000228080749 382844932 /nfs/dbraw/zinc/84/49/32/382844932.db2.gz MDULLOXDOGBDKI-ZIAGYGMSSA-N 2 0 269.392 2.712 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](CCOC)C(C)(C)C)CC1 ZINC000338019070 382903287 /nfs/dbraw/zinc/90/32/87/382903287.db2.gz OHCHEYNVKQVDMA-OAHLLOKOSA-N 2 0 270.461 2.902 20 0 CFADRP Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000577290105 382854196 /nfs/dbraw/zinc/85/41/96/382854196.db2.gz CNCFIVFHUWCKFV-LSDHHAIUSA-N 2 0 262.372 2.803 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@@H]21 ZINC000230125915 382856143 /nfs/dbraw/zinc/85/61/43/382856143.db2.gz AJXCATWOADMKLC-TVYUQYBPSA-N 2 0 270.829 2.961 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(CC[NH3+])CC1 ZINC000577381399 382857489 /nfs/dbraw/zinc/85/74/89/382857489.db2.gz WSUMASJICWUFSF-ZBFHGGJFSA-N 2 0 268.445 2.643 20 0 CFADRP CC[N@H+](Cc1ccc2ccccc2c1)C[C@](C)(O)C[NH2+]C ZINC000577521634 382862317 /nfs/dbraw/zinc/86/23/17/382862317.db2.gz LDDMQTYOGRFQEN-GOSISDBHSA-N 2 0 286.419 2.632 20 0 CFADRP CSc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414861418 532959811 /nfs/dbraw/zinc/95/98/11/532959811.db2.gz WPFPOCZQKKOCAS-OCCSQVGLSA-N 2 0 264.438 2.886 20 0 CFADRP CC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233481465 382871011 /nfs/dbraw/zinc/87/10/11/382871011.db2.gz JGXREHUCOGXJPU-QWHCGFSZSA-N 2 0 252.427 2.958 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578005209 382881200 /nfs/dbraw/zinc/88/12/00/382881200.db2.gz QKNZJGAHMBUKGV-YDHLFZDLSA-N 2 0 292.471 2.985 20 0 CFADRP C[C@H](CC(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000235444588 382881406 /nfs/dbraw/zinc/88/14/06/382881406.db2.gz YHQIFYHLMIYNMS-LLVKDONJSA-N 2 0 287.329 2.981 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000578022874 382883839 /nfs/dbraw/zinc/88/38/39/382883839.db2.gz GQPZNOPGVPCPHH-DLBZAZTESA-N 2 0 292.467 2.984 20 0 CFADRP COC[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000578025698 382885191 /nfs/dbraw/zinc/88/51/91/382885191.db2.gz ASVHOLDHVODUAB-IMJJTQAJSA-N 2 0 296.842 2.930 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337988035 382890459 /nfs/dbraw/zinc/89/04/59/382890459.db2.gz IOEKNQPOGWPNIO-SJORKVTESA-N 2 0 280.456 2.656 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989906 382891091 /nfs/dbraw/zinc/89/10/91/382891091.db2.gz RTOHZMVFNLKTAD-SJORKVTESA-N 2 0 299.478 2.522 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337995439 382893855 /nfs/dbraw/zinc/89/38/55/382893855.db2.gz MPJTUXNJJHDZDV-GJZGRUSLSA-N 2 0 256.409 2.836 20 0 CFADRP FCCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000338000266 382895564 /nfs/dbraw/zinc/89/55/64/382895564.db2.gz VPLXKBZFAJOAGZ-LSDHHAIUSA-N 2 0 256.409 2.980 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000338000263 382896229 /nfs/dbraw/zinc/89/62/29/382896229.db2.gz VPLXKBZFAJOAGZ-GJZGRUSLSA-N 2 0 256.409 2.980 20 0 CFADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000338002059 382897022 /nfs/dbraw/zinc/89/70/22/382897022.db2.gz STAQEJDIGUDMMF-XLAORIBOSA-N 2 0 292.467 2.533 20 0 CFADRP COC1([C@H](C)[NH2+]CC2CC[NH+](C)CC2)CCCCC1 ZINC000421827855 382936435 /nfs/dbraw/zinc/93/64/35/382936435.db2.gz ZVEFMNVDNCEOSS-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCn1ccc2ccccc21 ZINC000422750729 532963860 /nfs/dbraw/zinc/96/38/60/532963860.db2.gz BIUNGSRHJHOTIF-KGLIPLIRSA-N 2 0 259.397 2.747 20 0 CFADRP COC1([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CCCC1 ZINC000421833912 382938868 /nfs/dbraw/zinc/93/88/68/382938868.db2.gz BJOLBBNUKSQLAS-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055218 382965233 /nfs/dbraw/zinc/96/52/33/382965233.db2.gz AYNJOGOYQCZINZ-OAGGEKHMSA-N 2 0 268.445 2.643 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000494913320 382940278 /nfs/dbraw/zinc/94/02/78/382940278.db2.gz XAQOFCMHFKDXTH-HNNXBMFYSA-N 2 0 293.459 2.746 20 0 CFADRP COC1([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)CCCC1 ZINC000421856445 382949217 /nfs/dbraw/zinc/94/92/17/382949217.db2.gz ORTYWYSJSVOBTB-QQFBHYJXSA-N 2 0 280.456 2.941 20 0 CFADRP COCC1(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000578748240 382950309 /nfs/dbraw/zinc/95/03/09/382950309.db2.gz QGSBKETUVGIJGK-UHFFFAOYSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@H]2CCCCCC[C@@H]2[NH3+])n1 ZINC000442742656 382950438 /nfs/dbraw/zinc/95/04/38/382950438.db2.gz DDVWTQSYVDEHCR-AVGNSLFASA-N 2 0 280.416 2.881 20 0 CFADRP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000535085997 382952076 /nfs/dbraw/zinc/95/20/76/382952076.db2.gz IRXGSCNLOXXAEI-CVEARBPZSA-N 2 0 296.499 2.980 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338212450 382953529 /nfs/dbraw/zinc/95/35/29/382953529.db2.gz YJIICUYESSENJU-GOSISDBHSA-N 2 0 298.434 2.692 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1cccc2ccccc21 ZINC000442780518 382955429 /nfs/dbraw/zinc/95/54/29/382955429.db2.gz NVNDOUMNTSFDHR-CABCVRRESA-N 2 0 284.403 2.888 20 0 CFADRP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1C ZINC000442784763 382956248 /nfs/dbraw/zinc/95/62/48/382956248.db2.gz WHMYUTPAQMTDPR-BBRMVZONSA-N 2 0 288.435 2.984 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442795660 382957926 /nfs/dbraw/zinc/95/79/26/382957926.db2.gz VBTPWLQJIFPKKO-UHFFFAOYSA-N 2 0 260.372 2.742 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C)C1(OC)CCCC1 ZINC000421803732 382928481 /nfs/dbraw/zinc/92/84/81/382928481.db2.gz RKSLYAMNRCPMNS-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902021 532963461 /nfs/dbraw/zinc/96/34/61/532963461.db2.gz MHXSKLUGJMWFDD-CVEARBPZSA-N 3 0 289.467 2.614 20 0 CFADRP C[N@@H+](CCCC(=O)OC(C)(C)C)CCC[NH+]1CCCCC1 ZINC000444628140 382974875 /nfs/dbraw/zinc/97/48/75/382974875.db2.gz ZUXFXPQKAJWJAK-UHFFFAOYSA-N 2 0 298.471 2.916 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000423022087 383016573 /nfs/dbraw/zinc/01/65/73/383016573.db2.gz HCFKRKXRFQMXOQ-MELADBBJSA-N 2 0 294.439 2.598 20 0 CFADRP CCCCCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000423020696 383016727 /nfs/dbraw/zinc/01/67/27/383016727.db2.gz CRFPOGIUVLQQEK-NVXWUHKLSA-N 2 0 292.471 2.989 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)[C@@H]1CCC[NH2+]1 ZINC000422770454 382979715 /nfs/dbraw/zinc/97/97/15/382979715.db2.gz WTKJVKZVUNCMFK-RFGFWPKPSA-N 2 0 256.459 2.781 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422805873 382981450 /nfs/dbraw/zinc/98/14/50/382981450.db2.gz JXUACGVCJAHSAR-ZVZYQTTQSA-N 2 0 288.435 2.660 20 0 CFADRP COC[C@H](C)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000548792210 382982294 /nfs/dbraw/zinc/98/22/94/382982294.db2.gz IANIZNKDDPGQLK-CABCVRRESA-N 2 0 291.439 2.681 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840665 382984050 /nfs/dbraw/zinc/98/40/50/382984050.db2.gz UIUVTJXFUPQGCY-SOUVJXGZSA-N 2 0 295.496 2.676 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000422838633 382984349 /nfs/dbraw/zinc/98/43/49/382984349.db2.gz XWEUJNWNKYPGRE-CGTJXYLNSA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c2ccccc21 ZINC000422882808 382985199 /nfs/dbraw/zinc/98/51/99/382985199.db2.gz BAKPBPCCNSQREU-MTSZKFMLSA-N 2 0 272.392 2.678 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000422866396 382985265 /nfs/dbraw/zinc/98/52/65/382985265.db2.gz QLIICDWZSISKOF-QKGUJMCYSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000422881077 382985633 /nfs/dbraw/zinc/98/56/33/382985633.db2.gz NKTLLHPKYRQHJG-CVEARBPZSA-N 3 0 269.477 2.748 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422904290 382986451 /nfs/dbraw/zinc/98/64/51/382986451.db2.gz GRZRQZXWRTZQQS-NWDGAFQWSA-N 2 0 281.469 2.670 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCO[C@H]2CCCCO2)C[C@@H]1C ZINC000338310044 382986925 /nfs/dbraw/zinc/98/69/25/382986925.db2.gz XSUMHUAUHXVVGY-ULQDDVLXSA-N 2 0 298.471 2.724 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cnccc1N ZINC000422886599 382986942 /nfs/dbraw/zinc/98/69/42/382986942.db2.gz XEBRLBUZMQWGCU-LSDHHAIUSA-N 3 0 290.455 2.799 20 0 CFADRP CC[C@H](NC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422909027 382987482 /nfs/dbraw/zinc/98/74/82/382987482.db2.gz NIXMFZDEGOLTIZ-NJAFHUGGSA-N 2 0 289.467 2.627 20 0 CFADRP COCCC1(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCC1 ZINC000422891524 382987561 /nfs/dbraw/zinc/98/75/61/382987561.db2.gz VOIJZNYPZRJQGA-DOTOQJQBSA-N 2 0 290.451 2.741 20 0 CFADRP CC1(C)CC[C@H]1[NH2+]CC1(C[NH2+][C@@H]2CCC2(C)C)COC1 ZINC000579139388 382987911 /nfs/dbraw/zinc/98/79/11/382987911.db2.gz FWLNVLXBUMHYPY-ZIAGYGMSSA-N 2 0 280.456 2.559 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000422935717 382988361 /nfs/dbraw/zinc/98/83/61/382988361.db2.gz HOHIYHZMTSZFCG-LXTVHRRPSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422912130 382988603 /nfs/dbraw/zinc/98/86/03/382988603.db2.gz VNEVYQQLCIHRNH-DOTOQJQBSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000422947021 382989875 /nfs/dbraw/zinc/98/98/75/382989875.db2.gz PNDUNMLWORAKMW-MFKMUULPSA-N 2 0 268.788 2.881 20 0 CFADRP CCC(CC)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000422966380 382990046 /nfs/dbraw/zinc/99/00/46/382990046.db2.gz RFSLFOBVAKDMIH-XHSDSOJGSA-N 2 0 269.477 2.602 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422949323 382990052 /nfs/dbraw/zinc/99/00/52/382990052.db2.gz UZHOWQLPZKHZHA-ZFWWWQNUSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422976968 382992900 /nfs/dbraw/zinc/99/29/00/382992900.db2.gz FEOHTJDBNNFFNG-GUYCJALGSA-N 2 0 258.409 2.522 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000422976217 382993106 /nfs/dbraw/zinc/99/31/06/382993106.db2.gz URBKYEYJBXISGI-OWCLPIDISA-N 2 0 293.455 2.770 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422979103 382993607 /nfs/dbraw/zinc/99/36/07/382993607.db2.gz LHLBPIYLUOZAAQ-KBPBESRZSA-N 2 0 256.434 2.567 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Nc1ccccc1 ZINC000422980560 382994930 /nfs/dbraw/zinc/99/49/30/382994930.db2.gz QJTHBQICSSTLIR-OFQRWUPVSA-N 2 0 263.429 2.839 20 0 CFADRP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C)[C@@H]2C)[C@H]1C ZINC000447313663 382995026 /nfs/dbraw/zinc/99/50/26/382995026.db2.gz KODOQTBJQYVTOG-QEOTZNIISA-N 2 0 282.472 2.588 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423023759 383017657 /nfs/dbraw/zinc/01/76/57/383017657.db2.gz KMYPZGUWRPMXMD-ZQDZILKHSA-N 2 0 268.445 2.700 20 0 CFADRP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422987899 382998126 /nfs/dbraw/zinc/99/81/26/382998126.db2.gz HSFQQKPDULXVET-CWQOZTLDSA-N 2 0 294.483 2.828 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000422990732 382998929 /nfs/dbraw/zinc/99/89/29/382998929.db2.gz ONZQLXSBHDNUJQ-WCVJEAGWSA-N 2 0 268.445 2.567 20 0 CFADRP C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422989454 382999293 /nfs/dbraw/zinc/99/92/93/382999293.db2.gz LVMSHCMQTLVYTG-CZUORRHYSA-N 2 0 276.399 2.879 20 0 CFADRP c1ccc(CO[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422992267 383000046 /nfs/dbraw/zinc/00/00/46/383000046.db2.gz QYMTUJFENAZFOS-KZNAEPCWSA-N 2 0 288.435 2.856 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422992702 383000335 /nfs/dbraw/zinc/00/03/35/383000335.db2.gz DDYYMNWDMHCFLD-YOEHRIQHSA-N 2 0 276.424 2.606 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1CCC(C(C)C)CC1 ZINC000422994591 383001004 /nfs/dbraw/zinc/00/10/04/383001004.db2.gz VUCWLVYKLWUUOC-UYSNPLJNSA-N 2 0 270.461 2.792 20 0 CFADRP CSc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000422996135 383001181 /nfs/dbraw/zinc/00/11/81/383001181.db2.gz SJHBDAMHLQFJAL-QLFBSQMISA-N 2 0 291.464 2.814 20 0 CFADRP c1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422996203 383001467 /nfs/dbraw/zinc/00/14/67/383001467.db2.gz LHKCBPYTXRHIJN-BRWVUGGUSA-N 2 0 273.424 2.525 20 0 CFADRP CC(C)CN1CCCC[C@H]1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000422994705 383001856 /nfs/dbraw/zinc/00/18/56/383001856.db2.gz IMSUOHAEZPWILY-HOTGVXAUSA-N 2 0 269.477 2.604 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000422996552 383001920 /nfs/dbraw/zinc/00/19/20/383001920.db2.gz MLUFURJNBCLUGP-VFSICIBPSA-N 2 0 268.445 2.700 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000579461624 383018064 /nfs/dbraw/zinc/01/80/64/383018064.db2.gz KVDAQCDKPBNUJJ-DOTOQJQBSA-N 2 0 276.424 2.744 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000422996911 383002208 /nfs/dbraw/zinc/00/22/08/383002208.db2.gz AGPBAZJULBIJSF-OCCSQVGLSA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CCO1 ZINC000422996770 383002401 /nfs/dbraw/zinc/00/24/01/383002401.db2.gz UJBJMDBZLPBKKI-HPBDAGMYSA-N 2 0 290.451 2.738 20 0 CFADRP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422998576 383002654 /nfs/dbraw/zinc/00/26/54/383002654.db2.gz QTASGFPMMOOYOX-YXJHDRRASA-N 2 0 288.435 2.883 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1Cl ZINC000422996912 383002873 /nfs/dbraw/zinc/00/28/73/383002873.db2.gz AGPBAZJULBIJSF-TZMCWYRMSA-N 2 0 282.815 2.826 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423003490 383005060 /nfs/dbraw/zinc/00/50/60/383005060.db2.gz MIWRBMXKVLOLOR-JJXSEGSLSA-N 2 0 282.472 2.540 20 0 CFADRP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423003489 383005983 /nfs/dbraw/zinc/00/59/83/383005983.db2.gz MIWRBMXKVLOLOR-FPCVCCKLSA-N 2 0 282.472 2.540 20 0 CFADRP CCc1ccc([C@@H](COC)[NH2+][C@H](C)CCCC[NH3+])o1 ZINC000423004101 383007245 /nfs/dbraw/zinc/00/72/45/383007245.db2.gz JDVYEIZDWPGQCJ-TZMCWYRMSA-N 2 0 268.401 2.637 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000423004148 383007448 /nfs/dbraw/zinc/00/74/48/383007448.db2.gz OFBOAMSDJHLWIX-NJAFHUGGSA-N 2 0 288.435 2.886 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423012777 383010226 /nfs/dbraw/zinc/01/02/26/383010226.db2.gz LJGMOJLVDOPMGW-IIDMSEBBSA-N 2 0 290.451 2.994 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423012775 383010241 /nfs/dbraw/zinc/01/02/41/383010241.db2.gz LJGMOJLVDOPMGW-DAYGRLMNSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000423013835 383011399 /nfs/dbraw/zinc/01/13/99/383011399.db2.gz NLLYGRUGFVDWPE-HLLBOEOZSA-N 2 0 298.434 2.580 20 0 CFADRP CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423015061 383012411 /nfs/dbraw/zinc/01/24/11/383012411.db2.gz QJGFJUAZPDBTKO-KBPBESRZSA-N 2 0 282.815 2.751 20 0 CFADRP CC(C)CSCCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423016762 383012795 /nfs/dbraw/zinc/01/27/95/383012795.db2.gz UNABQGBSHKUMBG-ZIAGYGMSSA-N 2 0 258.475 2.873 20 0 CFADRP CC[C@@H]([NH2+]CCCSCC(C)C)[C@@H]1CCC[NH2+]1 ZINC000423015307 383012847 /nfs/dbraw/zinc/01/28/47/383012847.db2.gz QTKFPAKQYXXSGP-KGLIPLIRSA-N 2 0 258.475 2.886 20 0 CFADRP Cc1cc(C[NH+](C)C)cc(N[C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423027801 383018616 /nfs/dbraw/zinc/01/86/16/383018616.db2.gz PYQBVFFZJYVBMM-PBHICJAKSA-N 2 0 275.440 2.999 20 0 CFADRP Cc1cc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)C2CC2)ccc1F ZINC000423017575 383013910 /nfs/dbraw/zinc/01/39/10/383013910.db2.gz WQXFDSYIAUHWHM-BDJLRTHQSA-N 2 0 262.372 2.783 20 0 CFADRP Cc1ccsc1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423017039 383014402 /nfs/dbraw/zinc/01/44/02/383014402.db2.gz NUOWPCVJVABGHO-QWHCGFSZSA-N 2 0 252.427 2.706 20 0 CFADRP CCCCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000423019835 383015391 /nfs/dbraw/zinc/01/53/91/383015391.db2.gz XJIOYGCKINVSPW-ZBFHGGJFSA-N 2 0 278.444 2.599 20 0 CFADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423047092 383028897 /nfs/dbraw/zinc/02/88/97/383028897.db2.gz UTTMZUNEOATAPZ-MNOVXSKESA-N 2 0 286.341 2.834 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423046748 383028912 /nfs/dbraw/zinc/02/89/12/383028912.db2.gz UMDJBGNYMAENJF-OVWQWFNUSA-N 2 0 289.467 2.612 20 0 CFADRP C[C@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245732363 383028960 /nfs/dbraw/zinc/02/89/60/383028960.db2.gz QKGVUALAOHDRCH-OWLYRPNTSA-N 2 0 288.435 2.543 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(COC)cc2)[C@@H](C)C1 ZINC000245727359 383029312 /nfs/dbraw/zinc/02/93/12/383029312.db2.gz IZADBVWQHAUNMX-YJBOKZPZSA-N 2 0 290.451 2.995 20 0 CFADRP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423048165 383029563 /nfs/dbraw/zinc/02/95/63/383029563.db2.gz IFTKFKFMDKHPPL-XYJFISCASA-N 2 0 291.483 2.858 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])C[C@H]1OCc1ccccc1 ZINC000423047541 383029650 /nfs/dbraw/zinc/02/96/50/383029650.db2.gz GOPMMGKVORZNLZ-QBPKDAKJSA-N 2 0 288.435 2.840 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423047294 383029947 /nfs/dbraw/zinc/02/99/47/383029947.db2.gz HAYLHRAABJMNLZ-KNXALSJPSA-N 2 0 288.391 2.583 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])C[C@H]1OCc1ccccc1 ZINC000423047544 383030346 /nfs/dbraw/zinc/03/03/46/383030346.db2.gz GOPMMGKVORZNLZ-YLFCFFPRSA-N 2 0 288.435 2.840 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000579582941 383031047 /nfs/dbraw/zinc/03/10/47/383031047.db2.gz UUUNLMBKYBEXOA-LBPRGKRZSA-N 2 0 297.830 2.598 20 0 CFADRP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000423050531 383031449 /nfs/dbraw/zinc/03/14/49/383031449.db2.gz MAJYITHWTZADHN-VXGBXAGGSA-N 2 0 266.433 2.725 20 0 CFADRP CCc1cccc(Cl)c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579592153 383031943 /nfs/dbraw/zinc/03/19/43/383031943.db2.gz FWRJIESSROXVPJ-ZIAGYGMSSA-N 2 0 278.827 2.944 20 0 CFADRP C[C@@H]([NH2+][C@H]1c2ccccc2CCC[C@H]1C)C1C[NH2+]C1 ZINC000423053705 383032489 /nfs/dbraw/zinc/03/24/89/383032489.db2.gz SRLREHGPPNUGOY-PBFPGSCMSA-N 2 0 258.409 2.898 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000423053523 383032808 /nfs/dbraw/zinc/03/28/08/383032808.db2.gz AMJUXHHCMPQEHV-BZSNNMDCSA-N 2 0 290.451 2.741 20 0 CFADRP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423059931 383035508 /nfs/dbraw/zinc/03/55/08/383035508.db2.gz NFIOHIMRVBGVPT-BXUZGUMPSA-N 2 0 297.240 2.975 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccs2)[C@@H](C)C1 ZINC000245803354 383037715 /nfs/dbraw/zinc/03/77/15/383037715.db2.gz YEQLKZYVJYCYKK-GXTWGEPZSA-N 2 0 252.427 2.910 20 0 CFADRP CC(C)(CN[C@H]1C[C@@H]([NH3+])c2ccccc21)C[NH+]1CCCC1 ZINC000423069095 383039439 /nfs/dbraw/zinc/03/94/39/383039439.db2.gz DDYIDGPAQFTLOD-SJORKVTESA-N 2 0 287.451 2.843 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084469 383040995 /nfs/dbraw/zinc/04/09/95/383040995.db2.gz IARBTKCPPLIDEN-MSOLQXFVSA-N 3 0 285.435 2.595 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423097903 383043076 /nfs/dbraw/zinc/04/30/76/383043076.db2.gz RLOVTRWIHHNVFX-UAGQMJEPSA-N 2 0 279.472 2.501 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000579699347 383043369 /nfs/dbraw/zinc/04/33/69/383043369.db2.gz DVYMEXYNPVQXEP-HNNXBMFYSA-N 2 0 278.371 2.629 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000423126682 383043628 /nfs/dbraw/zinc/04/36/28/383043628.db2.gz SIHGPEYFKXGEFT-VBQJREDUSA-N 2 0 288.435 2.796 20 0 CFADRP F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423142855 383045049 /nfs/dbraw/zinc/04/50/49/383045049.db2.gz BLLYXSBMCZUAPG-BTFPBAQTSA-N 2 0 254.393 2.777 20 0 CFADRP C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC[NH+]1CCCC1 ZINC000423137257 383045512 /nfs/dbraw/zinc/04/55/12/383045512.db2.gz QKVPUFDDFRVRDV-KURKYZTESA-N 3 0 293.499 2.763 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000423140168 383045583 /nfs/dbraw/zinc/04/55/83/383045583.db2.gz XPDJOHIJAVXMSR-JKSUJKDBSA-N 3 0 267.461 2.502 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000579710466 383045671 /nfs/dbraw/zinc/04/56/71/383045671.db2.gz IBPIZOLROTZNFC-CJNGLKHVSA-N 2 0 289.423 2.909 20 0 CFADRP C[C@@H](CCCC[NH3+])[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000423164532 383046833 /nfs/dbraw/zinc/04/68/33/383046833.db2.gz SUGWSJXJLRRFOQ-UONOGXRCSA-N 2 0 256.459 2.723 20 0 CFADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[C@H](C)[NH3+])CCCO2 ZINC000423227715 383051176 /nfs/dbraw/zinc/05/11/76/383051176.db2.gz WSDGZOJVVVZWRX-ZFWWWQNUSA-N 2 0 262.397 2.844 20 0 CFADRP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000338784353 383051635 /nfs/dbraw/zinc/05/16/35/383051635.db2.gz XNUVKWNJZBRCJK-DSJMHWKBSA-N 2 0 268.445 2.652 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423256402 383052954 /nfs/dbraw/zinc/05/29/54/383052954.db2.gz BVVSTKURRGNQNX-BFHYXJOUSA-N 2 0 264.413 2.632 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423253832 383052970 /nfs/dbraw/zinc/05/29/70/383052970.db2.gz WLVSJEPLLMQRDA-WBMJQRKESA-N 2 0 262.372 2.792 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423255800 383053006 /nfs/dbraw/zinc/05/30/06/383053006.db2.gz ATZJUHOHIYMABL-HIFRSBDPSA-N 2 0 262.397 2.654 20 0 CFADRP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423256850 383053082 /nfs/dbraw/zinc/05/30/82/383053082.db2.gz GHWHNXQOJHDIIQ-YOEHRIQHSA-N 2 0 273.424 2.913 20 0 CFADRP Clc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423251658 383053114 /nfs/dbraw/zinc/05/31/14/383053114.db2.gz SGQQQWWCRHVLJP-IAQYHMDHSA-N 2 0 264.800 2.917 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423242040 383053294 /nfs/dbraw/zinc/05/32/94/383053294.db2.gz DWGJLVXXZAWOEG-GOEBONIOSA-N 2 0 274.408 2.798 20 0 CFADRP C[N@@H+]1CC[C@H](NCC[NH2+]C2CCCCCC2)[C@@H]2CCC[C@@H]21 ZINC000423280466 383055102 /nfs/dbraw/zinc/05/51/02/383055102.db2.gz SQDZTXKRGNZTEP-BZSNNMDCSA-N 2 0 293.499 2.761 20 0 CFADRP COC[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245981303 383055544 /nfs/dbraw/zinc/05/55/44/383055544.db2.gz GZXDZDFEEXXJFG-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423305069 383056868 /nfs/dbraw/zinc/05/68/68/383056868.db2.gz KBVHXVMYIMLZGG-SKDRFNHKSA-N 2 0 287.329 2.662 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423298090 383056890 /nfs/dbraw/zinc/05/68/90/383056890.db2.gz NCPMEYXAMCCYIP-YWVKMMECSA-N 2 0 256.440 2.858 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000423295804 383057021 /nfs/dbraw/zinc/05/70/21/383057021.db2.gz FTFNZKZBXAXJFD-LRDDRELGSA-N 2 0 274.408 2.573 20 0 CFADRP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423315782 383058279 /nfs/dbraw/zinc/05/82/79/383058279.db2.gz AJGRYCIKGWFRIY-GOEBONIOSA-N 2 0 276.424 2.742 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCC2)C12CCCCC2 ZINC000423315550 383058440 /nfs/dbraw/zinc/05/84/40/383058440.db2.gz AXAYNPGNEYJTSX-KGLIPLIRSA-N 2 0 266.429 2.585 20 0 CFADRP CCC1(CC)[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C[C@@H]1OC ZINC000423393037 383079759 /nfs/dbraw/zinc/07/97/59/383079759.db2.gz QIERXGGNFMYKNT-SJORKVTESA-N 2 0 288.435 2.973 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423356792 383062202 /nfs/dbraw/zinc/06/22/02/383062202.db2.gz KQEXVWGZOFXENP-RISCZKNCSA-N 2 0 278.371 2.553 20 0 CFADRP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1=CC[NH2+]CC1 ZINC000423357710 383062524 /nfs/dbraw/zinc/06/25/24/383062524.db2.gz SQQWPIMHDKIEPL-DLBZAZTESA-N 2 0 286.419 2.742 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000579931835 383067139 /nfs/dbraw/zinc/06/71/39/383067139.db2.gz LRLKTBISIFHTDY-JSGCOSHPSA-N 2 0 252.427 2.972 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)n1 ZINC000423369474 383067879 /nfs/dbraw/zinc/06/78/79/383067879.db2.gz DVEJJGBAFRPYLC-CQSZACIVSA-N 2 0 298.434 2.788 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)[C@@H]2CCCO[C@H]21 ZINC000423371019 383069223 /nfs/dbraw/zinc/06/92/23/383069223.db2.gz AELRTFMZOASDIP-GBJTYRQASA-N 2 0 280.456 2.558 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423374156 383069525 /nfs/dbraw/zinc/06/95/25/383069525.db2.gz HWFXBUZTNPCMMB-NXHRZFHOSA-N 2 0 290.451 2.958 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000423373494 383069999 /nfs/dbraw/zinc/06/99/99/383069999.db2.gz HPIJUPKCNCCAHF-VNHYZAJKSA-N 2 0 260.381 2.760 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000423377806 383072034 /nfs/dbraw/zinc/07/20/34/383072034.db2.gz KKMMEBBGQHFCRD-HZSPNIEDSA-N 2 0 264.413 2.775 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000423377731 383072115 /nfs/dbraw/zinc/07/21/15/383072115.db2.gz KHBXNKPMERSQHY-RDBSUJKOSA-N 2 0 294.439 2.783 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](c2cccnc2)C2CCC2)CC[NH2+]1 ZINC000423377748 383072720 /nfs/dbraw/zinc/07/27/20/383072720.db2.gz KIQDXAKMUOMWTM-WQVCFCJDSA-N 2 0 259.397 2.653 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000423384530 383076000 /nfs/dbraw/zinc/07/60/00/383076000.db2.gz QIYHDRBQYDQBOD-IJEWVQPXSA-N 2 0 284.407 2.663 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)[C@H](C)C1 ZINC000246550414 383080799 /nfs/dbraw/zinc/08/07/99/383080799.db2.gz WNMJAKPSSADVFB-QKPAOTATSA-N 2 0 282.472 2.900 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423387441 383077370 /nfs/dbraw/zinc/07/73/70/383077370.db2.gz MUIWTJYGBKGVPE-YOEHRIQHSA-N 2 0 274.408 2.585 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000423030706 383019562 /nfs/dbraw/zinc/01/95/62/383019562.db2.gz UEPNJPXZVKJHQR-LBPRGKRZSA-N 2 0 276.380 2.512 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+][C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000423028924 383019764 /nfs/dbraw/zinc/01/97/64/383019764.db2.gz UBVVMXUQIKZBKU-AAEUAGOBSA-N 2 0 281.469 2.700 20 0 CFADRP CS[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(C)(C)C ZINC000423028897 383019987 /nfs/dbraw/zinc/01/99/87/383019987.db2.gz HGIWDPGYUDOPPN-FRRDWIJNSA-N 2 0 258.475 2.871 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423029858 383020094 /nfs/dbraw/zinc/02/00/94/383020094.db2.gz IVMVDLSYRNJHOC-RDJZCZTQSA-N 2 0 278.440 2.740 20 0 CFADRP Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(-c2ccccc2)n1 ZINC000423030410 383020119 /nfs/dbraw/zinc/02/01/19/383020119.db2.gz JPIWZUSXVGEYNP-DOTOQJQBSA-N 2 0 298.434 2.694 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000423032601 383020941 /nfs/dbraw/zinc/02/09/41/383020941.db2.gz FSDDNFRIKVACIM-LOWVWBTDSA-N 2 0 267.442 2.533 20 0 CFADRP Cc1csc([C@@H](C)C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000423031764 383021135 /nfs/dbraw/zinc/02/11/35/383021135.db2.gz DLTBIFNCPBJCIN-PKSQDBQZSA-N 2 0 267.442 2.662 20 0 CFADRP COc1ccc(C2(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423032423 383021313 /nfs/dbraw/zinc/02/13/13/383021313.db2.gz MRGHXKZGYQMNEC-RHSMWYFYSA-N 2 0 288.435 2.847 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCNc1cccc(F)c1 ZINC000423037688 383023662 /nfs/dbraw/zinc/02/36/62/383023662.db2.gz WPTIMNFUFKLIMA-ZDUSSCGKSA-N 2 0 267.392 2.735 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423037105 383024075 /nfs/dbraw/zinc/02/40/75/383024075.db2.gz MJTPWYCOJJJRAL-RTXFEEFZSA-N 2 0 267.442 2.805 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCC[C@H]1CCCCO1 ZINC000423039914 383024758 /nfs/dbraw/zinc/02/47/58/383024758.db2.gz RYZZCFJEUNUUOD-CGTJXYLNSA-N 2 0 290.451 2.884 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423041570 383025689 /nfs/dbraw/zinc/02/56/89/383025689.db2.gz JNGOMECORNUPKX-QJPTWQEYSA-N 2 0 299.821 2.773 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000423041571 383026705 /nfs/dbraw/zinc/02/67/05/383026705.db2.gz JNGOMECORNUPKX-SDDRHHMPSA-N 2 0 299.821 2.773 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423044857 383027438 /nfs/dbraw/zinc/02/74/38/383027438.db2.gz BXNSQAXYQNTGBB-IIKSMHAQSA-N 2 0 262.422 2.998 20 0 CFADRP Cc1ccc(SC[C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000423044458 383027713 /nfs/dbraw/zinc/02/77/13/383027713.db2.gz AOABMRQXJCRUBR-OLZOCXBDSA-N 2 0 264.438 2.673 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(-c2ccccc2)nn1C ZINC000423493507 383120506 /nfs/dbraw/zinc/12/05/06/383120506.db2.gz BQMMRHRTGFKYFY-LZWOXQAQSA-N 2 0 298.434 2.865 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000423496566 383121109 /nfs/dbraw/zinc/12/11/09/383121109.db2.gz WZSWLZBZXYPVPO-OWCLPIDISA-N 2 0 268.445 2.559 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccsc1 ZINC000423500587 383122346 /nfs/dbraw/zinc/12/23/46/383122346.db2.gz CDZVAXNYQCKTMT-IUDNXUCKSA-N 2 0 293.480 2.615 20 0 CFADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423498090 383122397 /nfs/dbraw/zinc/12/23/97/383122397.db2.gz ZXTKDUWTABJZKQ-BFHYXJOUSA-N 2 0 262.397 2.863 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2c3ccccc3C[C@@H]2C)C1 ZINC000246961765 383125645 /nfs/dbraw/zinc/12/56/45/383125645.db2.gz IOYKYADWUXRJES-JJRVBVJISA-N 2 0 258.409 2.851 20 0 CFADRP C1[NH2+]C[C@H]2C[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC[C@H]12 ZINC000423550178 383127796 /nfs/dbraw/zinc/12/77/96/383127796.db2.gz SOHQIGJZZYLOSC-BFYDXBDKSA-N 2 0 292.467 2.704 20 0 CFADRP CC[C@H](COC)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000247127717 383146095 /nfs/dbraw/zinc/14/60/95/383146095.db2.gz RNRSYRQUHRAVOZ-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP COC1(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000339044933 383131298 /nfs/dbraw/zinc/13/12/98/383131298.db2.gz QTSAAZWNLAMVAZ-WBVHZDCISA-N 2 0 292.467 2.894 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000554376836 383132728 /nfs/dbraw/zinc/13/27/28/383132728.db2.gz GRDRPMOHRKYNBQ-SOLBZPMBSA-N 2 0 296.499 2.884 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000247031424 383134580 /nfs/dbraw/zinc/13/45/80/383134580.db2.gz SBTWTWYWSGDJCA-YOENINGUSA-N 2 0 287.407 2.566 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCCO2)CC1)CC1CC1 ZINC000339062266 383135440 /nfs/dbraw/zinc/13/54/40/383135440.db2.gz YNDVTVIPKIOJFZ-SFHVURJKSA-N 2 0 294.483 2.999 20 0 CFADRP c1c2ccccc2[nH]c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070048 383138728 /nfs/dbraw/zinc/13/87/28/383138728.db2.gz VYKAIAUCGGZTRE-HOCLYGCPSA-N 2 0 269.392 2.884 20 0 CFADRP Clc1cccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339070304 383138796 /nfs/dbraw/zinc/13/87/96/383138796.db2.gz LSVIRCWOKZPEKR-GJZGRUSLSA-N 2 0 294.826 2.935 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247069899 383139137 /nfs/dbraw/zinc/13/91/37/383139137.db2.gz OEJCKATZGLPVBA-UGUYLWEFSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)oc1C ZINC000554560891 383142466 /nfs/dbraw/zinc/14/24/66/383142466.db2.gz ITESQVBJEDBRFR-OAHLLOKOSA-N 2 0 293.455 2.575 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000554561012 383142665 /nfs/dbraw/zinc/14/26/65/383142665.db2.gz YMJIGMCCDNQNTL-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)C12CCCC2 ZINC000423398161 383081724 /nfs/dbraw/zinc/08/17/24/383081724.db2.gz UBIPOGVMLGNKFU-ZQDZILKHSA-N 2 0 266.429 2.584 20 0 CFADRP c1ccc(C2(C[NH2+]C3CC[NH+](CC4CC4)CC3)CCC2)nc1 ZINC000552340236 383081969 /nfs/dbraw/zinc/08/19/69/383081969.db2.gz OLHCEQGPIXBNNK-UHFFFAOYSA-N 2 0 299.462 2.967 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423400184 383083141 /nfs/dbraw/zinc/08/31/41/383083141.db2.gz PZJXLOWCKJMRHK-KBMXLJTQSA-N 2 0 274.408 2.796 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cnn(Cc2ccccc2)c1 ZINC000423402157 383083411 /nfs/dbraw/zinc/08/34/11/383083411.db2.gz WHFSHFWLFJNMEM-QGTPRVQTSA-N 2 0 298.434 2.852 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@H](CN)c1ccc2ccccc2c1 ZINC000423405351 383085162 /nfs/dbraw/zinc/08/51/62/383085162.db2.gz TUNSKZPPNYHYQN-CXAGYDPISA-N 2 0 271.408 2.557 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)o1 ZINC000423409417 383086278 /nfs/dbraw/zinc/08/62/78/383086278.db2.gz PZFBTLXNPPGGRP-ZDUSSCGKSA-N 2 0 280.412 2.509 20 0 CFADRP COC[C@]1(C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000423408349 383086313 /nfs/dbraw/zinc/08/63/13/383086313.db2.gz ADLIFXLAWPEZKM-ZJIFWQFVSA-N 2 0 268.445 2.559 20 0 CFADRP COC[C@]1(C[NH2+][C@@H](C)CCC(C)(C)C)CCC[NH2+]1 ZINC000423411330 383087728 /nfs/dbraw/zinc/08/77/28/383087728.db2.gz FMAKSVRJEXOIOC-DZGCQCFKSA-N 2 0 256.434 2.559 20 0 CFADRP CCC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C(C)(C)C ZINC000423415538 383088520 /nfs/dbraw/zinc/08/85/20/383088520.db2.gz PEKKLUWGWNPSBQ-ZFWWWQNUSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423419919 383090064 /nfs/dbraw/zinc/09/00/64/383090064.db2.gz JBAUTYHWSDMDRD-SUJAAXHWSA-N 2 0 250.430 2.920 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000423417448 383090091 /nfs/dbraw/zinc/09/00/91/383090091.db2.gz FLCKCFKWLWHQOP-HSFUPAIVSA-N 2 0 294.483 2.936 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423423329 383090515 /nfs/dbraw/zinc/09/05/15/383090515.db2.gz CAGINOVRMZEORK-WDMOLILDSA-N 2 0 277.412 2.586 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000423422297 383091192 /nfs/dbraw/zinc/09/11/92/383091192.db2.gz KXQSKQJXBLLXHL-KKUMJFAQSA-N 2 0 261.413 2.806 20 0 CFADRP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423427085 383091416 /nfs/dbraw/zinc/09/14/16/383091416.db2.gz FRPSEKWRQIESJT-LJISPDSOSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(CO)c1 ZINC000423425690 383091603 /nfs/dbraw/zinc/09/16/03/383091603.db2.gz OPTKRQAQYNVNPV-KKUMJFAQSA-N 2 0 276.424 2.595 20 0 CFADRP CCc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C(C)C)cc1 ZINC000423425494 383091774 /nfs/dbraw/zinc/09/17/74/383091774.db2.gz GXDPOJJFDIMRKF-TWMKSMIVSA-N 2 0 258.409 2.754 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1N(C)C ZINC000423429749 383092717 /nfs/dbraw/zinc/09/27/17/383092717.db2.gz KNNDNYGMDUUONE-UONOGXRCSA-N 2 0 263.429 2.921 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc12 ZINC000423430556 383094037 /nfs/dbraw/zinc/09/40/37/383094037.db2.gz LBROEUQHTMQAPH-MTYBJYJGSA-N 2 0 282.387 2.717 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(F)cn1 ZINC000423431482 383094088 /nfs/dbraw/zinc/09/40/88/383094088.db2.gz VLLXKRXXNNWVRY-JHJVBQTASA-N 2 0 265.376 2.636 20 0 CFADRP C[C@@H]([NH3+])[C@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423441919 383096902 /nfs/dbraw/zinc/09/69/02/383096902.db2.gz BKDGTMVKOVKERT-WWXIPJKBSA-N 3 0 289.467 2.755 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423441916 383097008 /nfs/dbraw/zinc/09/70/08/383097008.db2.gz BKDGTMVKOVKERT-RCDYEMGKSA-N 3 0 289.467 2.755 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423444506 383098902 /nfs/dbraw/zinc/09/89/02/383098902.db2.gz REUJIQQYXMGXTE-FHLIZLRMSA-N 2 0 287.451 2.771 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423447276 383099725 /nfs/dbraw/zinc/09/97/25/383099725.db2.gz UFXFJRIBOACOSW-AFAVFJNCSA-N 2 0 274.408 2.734 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000584404631 383099876 /nfs/dbraw/zinc/09/98/76/383099876.db2.gz CWCSDHZUZROUPV-HNNXBMFYSA-N 2 0 298.434 2.582 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423449954 383099963 /nfs/dbraw/zinc/09/99/63/383099963.db2.gz GVVGTXAUIZCYAR-IAQYHMDHSA-N 2 0 250.361 2.994 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCC[NH3+])c(C)c1OC ZINC000423450302 383100038 /nfs/dbraw/zinc/10/00/38/383100038.db2.gz HGHQGKLTOGXVNB-CHWSQXEVSA-N 2 0 294.439 2.660 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423450469 383101077 /nfs/dbraw/zinc/10/10/77/383101077.db2.gz TTXRGHKZEZMEFR-HZPDHXFCSA-N 2 0 273.424 2.652 20 0 CFADRP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000584421547 383101370 /nfs/dbraw/zinc/10/13/70/383101370.db2.gz USDOOWQJUYDRDW-KFWWJZLASA-N 2 0 292.423 2.570 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423453845 383101540 /nfs/dbraw/zinc/10/15/40/383101540.db2.gz KZFGLUHWQDCTPS-NEPJUHHUSA-N 2 0 289.423 2.694 20 0 CFADRP COc1cc(CN2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC(C)C ZINC000584418400 383101899 /nfs/dbraw/zinc/10/18/99/383101899.db2.gz ZXKVTAABUQGAAR-ZFWWWQNUSA-N 2 0 292.423 2.794 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423455979 383101942 /nfs/dbraw/zinc/10/19/42/383101942.db2.gz NCSPWVOESHDDJL-FZMZJTMJSA-N 2 0 253.365 2.635 20 0 CFADRP C[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000246783101 383103744 /nfs/dbraw/zinc/10/37/44/383103744.db2.gz CHKGIQFZZFWQKS-FPCVCCKLSA-N 2 0 280.456 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000423460233 383104384 /nfs/dbraw/zinc/10/43/84/383104384.db2.gz MCTSAYWIGZAZPK-XHBSWPGZSA-N 2 0 262.372 2.920 20 0 CFADRP CC[C@@H]([NH3+])CN[C@H](C)c1ccc(Br)cc1 ZINC000423462622 383104980 /nfs/dbraw/zinc/10/49/80/383104980.db2.gz KWQYBBQIUDBAHH-BXKDBHETSA-N 2 0 271.202 2.837 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ncc(-c2ccccc2)n1C ZINC000423465785 383106356 /nfs/dbraw/zinc/10/63/56/383106356.db2.gz WUVOFPHCDNLTOH-UONOGXRCSA-N 2 0 286.423 2.865 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cs1 ZINC000423467613 383107536 /nfs/dbraw/zinc/10/75/36/383107536.db2.gz BLUBLAZLRKNBCZ-PWSUYJOCSA-N 2 0 253.415 2.634 20 0 CFADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000423470609 383108566 /nfs/dbraw/zinc/10/85/66/383108566.db2.gz LMGAIMIODOIUTG-OUCADQQQSA-N 2 0 278.396 2.569 20 0 CFADRP COc1ncc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000423474974 383110750 /nfs/dbraw/zinc/11/07/50/383110750.db2.gz PKAZCMBIXTVJBW-GVXVVHGQSA-N 2 0 297.830 2.912 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000423476100 383112097 /nfs/dbraw/zinc/11/20/97/383112097.db2.gz QLQUYPDOOBSZST-GVXVVHGQSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@@H]([NH2+][C@H](Cc1ccccc1Cl)C1CC1)[C@H](C)[NH3+] ZINC000423479448 383112551 /nfs/dbraw/zinc/11/25/51/383112551.db2.gz VHBWWYDWEXUJCO-FIXISWKDSA-N 2 0 266.816 2.986 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423478736 383112883 /nfs/dbraw/zinc/11/28/83/383112883.db2.gz LFNZMCUFISETSR-RYUDHWBXSA-N 2 0 268.426 2.940 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(F)c2)[C@@H](C)C1 ZINC000246848921 383112906 /nfs/dbraw/zinc/11/29/06/383112906.db2.gz CNWQMUGFBLXPCE-BBRMVZONSA-N 2 0 280.387 2.524 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cn1 ZINC000423481410 383114432 /nfs/dbraw/zinc/11/44/32/383114432.db2.gz OLJSVXQIKQONPM-DZGCQCFKSA-N 2 0 264.417 2.647 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246871079 383114602 /nfs/dbraw/zinc/11/46/02/383114602.db2.gz DKNRUKROTFICOR-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423483994 383115441 /nfs/dbraw/zinc/11/54/41/383115441.db2.gz QOZFZVISBKYNSL-YOEHRIQHSA-N 2 0 274.408 2.804 20 0 CFADRP COC1(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000339006236 383118637 /nfs/dbraw/zinc/11/86/37/383118637.db2.gz YWPWUWCSRPGYTB-INIZCTEOSA-N 2 0 280.456 2.753 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246903446 383118756 /nfs/dbraw/zinc/11/87/56/383118756.db2.gz HXJPLUSBMSKPHE-WMLDXEAASA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000449094228 383172787 /nfs/dbraw/zinc/17/27/87/383172787.db2.gz RDEIEADCPHTKJS-IXDOHACOSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ncc(C[NH2+]C[C@@H]2CCCc3ccccc32)n1C ZINC000517247394 383173437 /nfs/dbraw/zinc/17/34/37/383173437.db2.gz TXCXVNFVFGKPFP-HNNXBMFYSA-N 2 0 269.392 2.938 20 0 CFADRP CCCC[C@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424081287 383176658 /nfs/dbraw/zinc/17/66/58/383176658.db2.gz VCBUKOABBUMITB-HZPDHXFCSA-N 2 0 297.487 2.698 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(C)o1 ZINC000519381378 383212997 /nfs/dbraw/zinc/21/29/97/383212997.db2.gz CGCPDUZIGPWOBW-BHYGNILZSA-N 2 0 291.439 2.734 20 0 CFADRP CC[NH+](CC)CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424132993 383185898 /nfs/dbraw/zinc/18/58/98/383185898.db2.gz IRMIABUFBCOAAZ-INIZCTEOSA-N 2 0 297.487 2.522 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000566587356 383190944 /nfs/dbraw/zinc/19/09/44/383190944.db2.gz BFZNTFKXFGJUHL-CRAIPNDOSA-N 2 0 298.434 2.644 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)s1 ZINC000566614437 383193324 /nfs/dbraw/zinc/19/33/24/383193324.db2.gz UXLDLJAPXWGSKB-NSHDSACASA-N 2 0 252.427 2.961 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000247979206 383205268 /nfs/dbraw/zinc/20/52/68/383205268.db2.gz IDLBDDNBOBRTMP-FVQBIDKESA-N 2 0 258.409 2.789 20 0 CFADRP CC(C)c1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000518753806 383207273 /nfs/dbraw/zinc/20/72/73/383207273.db2.gz KUZLWCISKWTKHV-BMGDILEWSA-N 2 0 290.451 2.694 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(C)c2)C1 ZINC000449038228 383148920 /nfs/dbraw/zinc/14/89/20/383148920.db2.gz SJMUYRPTFZAVIM-QGZVFWFLSA-N 2 0 260.425 2.811 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3nc(C)sc32)C1 ZINC000247213131 383152981 /nfs/dbraw/zinc/15/29/81/383152981.db2.gz XAZABFOKGVXVJP-STQMWFEESA-N 2 0 279.453 2.760 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C)c2)[C@@H](C)C1 ZINC000247225297 383154192 /nfs/dbraw/zinc/15/41/92/383154192.db2.gz XZBKLJDTNBOSEM-DOTOQJQBSA-N 2 0 276.424 2.694 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248148679 383214708 /nfs/dbraw/zinc/21/47/08/383214708.db2.gz QMESFJHJNBRQRT-FUHWJXTLSA-N 2 0 288.435 2.654 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449080031 383165487 /nfs/dbraw/zinc/16/54/87/383165487.db2.gz SAWJOFSRLADGOL-WMZOPIPTSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000449084631 383167743 /nfs/dbraw/zinc/16/77/43/383167743.db2.gz YLXFHRXPWLEDTM-ILXRZTDVSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449083910 383168077 /nfs/dbraw/zinc/16/80/77/383168077.db2.gz VXTJOVCFLSJFFE-LJISPDSOSA-N 2 0 270.486 2.696 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)O1 ZINC000449083876 383168329 /nfs/dbraw/zinc/16/83/29/383168329.db2.gz VTYLDKNRQGIZTN-ZHCJQAHYSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1cccc(CC[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000449089146 383170263 /nfs/dbraw/zinc/17/02/63/383170263.db2.gz JKUMTPQUJQQKGF-MRXNPFEDSA-N 2 0 260.425 2.859 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCOCc2ccc(Cl)cc2)C1 ZINC000567487379 383281009 /nfs/dbraw/zinc/28/10/09/383281009.db2.gz LKDIBZCGOFATRE-GJZGRUSLSA-N 2 0 282.815 2.716 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)C1 ZINC000567406133 383272073 /nfs/dbraw/zinc/27/20/73/383272073.db2.gz DXWHRGGHUWKFFT-ZNMIVQPWSA-N 2 0 291.414 2.512 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000567453354 383275481 /nfs/dbraw/zinc/27/54/81/383275481.db2.gz POLULMWLJXFSNA-QDMKHBRRSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCCCC[NH+]1CCCC1 ZINC000339501472 383219563 /nfs/dbraw/zinc/21/95/63/383219563.db2.gz XSQTYXCAIRNQPN-HNNXBMFYSA-N 2 0 256.434 2.656 20 0 CFADRP COc1cc(C)ccc1CN1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000449334506 383223450 /nfs/dbraw/zinc/22/34/50/383223450.db2.gz XRRLGOMNSVBDAF-NVXWUHKLSA-N 2 0 288.435 2.920 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)n1 ZINC000519546541 383224691 /nfs/dbraw/zinc/22/46/91/383224691.db2.gz VCTWABHWYTYYNO-CQSZACIVSA-N 2 0 286.423 2.644 20 0 CFADRP CCOCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248403393 383236113 /nfs/dbraw/zinc/23/61/13/383236113.db2.gz XXYVROBOCGUILK-VQFNDLOPSA-N 2 0 290.451 2.769 20 0 CFADRP c1cn2c(cccc2CNc2cc3c(c[nH+]2)CCC3)n1 ZINC000339551068 383239124 /nfs/dbraw/zinc/23/91/24/383239124.db2.gz ADVYGMYYMILKNC-UHFFFAOYSA-N 2 0 264.332 2.830 20 0 CFADRP C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248450207 383245251 /nfs/dbraw/zinc/24/52/51/383245251.db2.gz IMYHZFZRWOKMQW-DOTOQJQBSA-N 2 0 292.398 2.763 20 0 CFADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)[NH+]1CCCC1 ZINC000249159469 383333189 /nfs/dbraw/zinc/33/31/89/383333189.db2.gz YFDPFYNGEOMFMB-OIISXLGYSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccsc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732566 383333676 /nfs/dbraw/zinc/33/36/76/383333676.db2.gz JIALKWFNHVWENK-LLVKDONJSA-N 2 0 268.426 2.625 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000634733142 383334824 /nfs/dbraw/zinc/33/48/24/383334824.db2.gz XUUZXPCOHVSLDU-HNNXBMFYSA-N 2 0 299.418 2.808 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634733144 383334974 /nfs/dbraw/zinc/33/49/74/383334974.db2.gz XVJGVHRZCGRDHO-AWEZNQCLSA-N 2 0 292.423 2.572 20 0 CFADRP CC(C)[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000339835390 383335305 /nfs/dbraw/zinc/33/53/05/383335305.db2.gz WVTSLMQZPXYGPN-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634734117 383336073 /nfs/dbraw/zinc/33/60/73/383336073.db2.gz XGOLLSGEKWFSPP-OAHLLOKOSA-N 2 0 278.444 2.640 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1C ZINC000634734187 383336241 /nfs/dbraw/zinc/33/62/41/383336241.db2.gz ZAPQBKGMTXCWMC-OAHLLOKOSA-N 2 0 276.424 2.871 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733860 383336767 /nfs/dbraw/zinc/33/67/67/383336767.db2.gz PVZWCZZMXRVAOF-OAGGEKHMSA-N 2 0 281.488 2.665 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CO)C3)CC2)C1 ZINC000449426254 383286993 /nfs/dbraw/zinc/28/69/93/383286993.db2.gz KGAJPAIILPPAFD-XYVMCAHJSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(C)CCCC[C@H]2C)CC1 ZINC000459608889 383291392 /nfs/dbraw/zinc/29/13/92/383291392.db2.gz IMJVGTYKBKOEDB-MSOLQXFVSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000567603929 383291579 /nfs/dbraw/zinc/29/15/79/383291579.db2.gz BRABTFBUXUNVRE-STQMWFEESA-N 2 0 250.386 2.689 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000459731744 383295578 /nfs/dbraw/zinc/29/55/78/383295578.db2.gz FQZXJKJKWOHGDS-QKPAOTATSA-N 2 0 250.430 2.887 20 0 CFADRP COC1CCC(C)(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000567639994 383296735 /nfs/dbraw/zinc/29/67/35/383296735.db2.gz UVHSDMUSSSHWMP-QRNKSROTSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+]C[C@@H](N[C@@H]1CCCc2nn(-c3ccccc3)cc21)C1CC1 ZINC000567638485 383296889 /nfs/dbraw/zinc/29/68/89/383296889.db2.gz GAYWKAQQUHPXTQ-SJLPKXTDSA-N 2 0 296.418 2.577 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000567638903 383296900 /nfs/dbraw/zinc/29/69/00/383296900.db2.gz UYVHNBDQOUHLOJ-MNOVXSKESA-N 2 0 252.324 2.697 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339719840 383296974 /nfs/dbraw/zinc/29/69/74/383296974.db2.gz VQNNNINFZNFXKT-ILXRZTDVSA-N 2 0 250.430 2.981 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000567639039 383297294 /nfs/dbraw/zinc/29/72/94/383297294.db2.gz MLZHCJTVRMYOQY-HNNXBMFYSA-N 2 0 278.440 2.994 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000459794371 383297814 /nfs/dbraw/zinc/29/78/14/383297814.db2.gz UNMLEUONONHRON-HUUCEWRRSA-N 2 0 297.446 2.957 20 0 CFADRP CS[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000449447285 383298407 /nfs/dbraw/zinc/29/84/07/383298407.db2.gz XWWKPUOHIRGOCZ-HNNXBMFYSA-N 2 0 288.420 2.513 20 0 CFADRP Cc1cnccc1C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000521540322 383299648 /nfs/dbraw/zinc/29/96/48/383299648.db2.gz LCNJZZPFTYWXKD-UHFFFAOYSA-N 2 0 269.392 2.741 20 0 CFADRP CC/C=C\C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000449455293 383303588 /nfs/dbraw/zinc/30/35/88/383303588.db2.gz LDVBRAFCWCHCGL-YVMONPNESA-N 2 0 287.451 2.884 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000634685358 383316602 /nfs/dbraw/zinc/31/66/02/383316602.db2.gz MMBCYAJROCISHU-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc2ncccc12 ZINC000634688168 383320500 /nfs/dbraw/zinc/32/05/00/383320500.db2.gz KAGDSFBGBSFHJL-MRXNPFEDSA-N 2 0 269.392 2.713 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)c2ccccc2)[C@H](C)C1 ZINC000449483197 383323392 /nfs/dbraw/zinc/32/33/92/383323392.db2.gz HEBKQOXIEKHOKW-BPQIPLTHSA-N 2 0 290.451 2.868 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(OC)c2ccccc2)[C@H](C)C1 ZINC000449483198 383324102 /nfs/dbraw/zinc/32/41/02/383324102.db2.gz HEBKQOXIEKHOKW-NJAFHUGGSA-N 2 0 290.451 2.868 20 0 CFADRP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000251490183 383389277 /nfs/dbraw/zinc/38/92/77/383389277.db2.gz CNNRTJGDVIBGEC-NUTKFTJISA-N 2 0 289.423 2.813 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340247560 383391331 /nfs/dbraw/zinc/39/13/31/383391331.db2.gz PMNKHVWSBAPCCY-ZDUSSCGKSA-N 2 0 279.403 2.993 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000568381398 383396619 /nfs/dbraw/zinc/39/66/19/383396619.db2.gz GVYZZXFIDLMRGA-DZGCQCFKSA-N 2 0 298.377 2.938 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC[C@H]1C ZINC000479078082 383399106 /nfs/dbraw/zinc/39/91/06/383399106.db2.gz IMRGHJXHUWYXPD-TWMKSMIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000568410349 383399667 /nfs/dbraw/zinc/39/96/67/383399667.db2.gz JPKCWECTRUZORX-SZMVWBNQSA-N 2 0 290.451 2.772 20 0 CFADRP CCC[C@H]1CN(c2cc[nH+]c(CC)c2)CC[N@@H+]1CCOC ZINC000450416367 383400619 /nfs/dbraw/zinc/40/06/19/383400619.db2.gz GDKSRKHFAACFDG-KRWDZBQOSA-N 2 0 291.439 2.581 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](C)c1ccc(Cl)cc1 ZINC000479448000 383405943 /nfs/dbraw/zinc/40/59/43/383405943.db2.gz FVSAPACSNYOTTH-UONOGXRCSA-N 2 0 298.858 3.000 20 0 CFADRP Cc1cccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000568512163 383410020 /nfs/dbraw/zinc/41/00/20/383410020.db2.gz KBYICWVICCBIBC-KRWDZBQOSA-N 2 0 288.435 2.695 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000568163987 383363947 /nfs/dbraw/zinc/36/39/47/383363947.db2.gz GMSPWVHYJXLKEA-QGZVFWFLSA-N 2 0 290.451 2.667 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340185182 383373450 /nfs/dbraw/zinc/37/34/50/383373450.db2.gz IKDDUVBTFLVLKH-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000469970227 383374805 /nfs/dbraw/zinc/37/48/05/383374805.db2.gz YHZMBYISZIELAO-SFHVURJKSA-N 2 0 272.436 2.893 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000470008363 383374838 /nfs/dbraw/zinc/37/48/38/383374838.db2.gz HYFNUHFGPVILPT-GJZGRUSLSA-N 2 0 276.424 2.730 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)C[NH+]1CCCCC1 ZINC000340191187 383375298 /nfs/dbraw/zinc/37/52/98/383375298.db2.gz IAUAUQPHXCCXAQ-OWCLPIDISA-N 2 0 268.445 2.656 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000425359377 383376248 /nfs/dbraw/zinc/37/62/48/383376248.db2.gz PTZBIBVHMHVWDW-UONOGXRCSA-N 2 0 256.459 2.592 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000425399609 383377357 /nfs/dbraw/zinc/37/73/57/383377357.db2.gz PGVSXOKOXODQNS-AEFFLSMTSA-N 2 0 294.483 2.855 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250579265 383377678 /nfs/dbraw/zinc/37/76/78/383377678.db2.gz MWDDIGMOJBZCQM-BRWVUGGUSA-N 2 0 274.408 2.706 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1 ZINC000340209024 383381117 /nfs/dbraw/zinc/38/11/17/383381117.db2.gz GGOYXKONLHMUOL-OWCLPIDISA-N 2 0 298.471 2.818 20 0 CFADRP C(COC1CCCC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251074258 383384436 /nfs/dbraw/zinc/38/44/36/383384436.db2.gz GDOQWWKYOQYNTP-GVDBMIGSSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](C)C[NH+]1CCCCC1 ZINC000251153461 383385896 /nfs/dbraw/zinc/38/58/96/383385896.db2.gz BADCNERCOCKSNK-BRWVUGGUSA-N 2 0 281.488 2.761 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000251351447 383387838 /nfs/dbraw/zinc/38/78/38/383387838.db2.gz SLUYGGBIOSTHSX-MLHJIOFPSA-N 2 0 293.499 2.617 20 0 CFADRP CCN1C[C@H]([NH2+][C@H](C)COc2cccc(C)c2)[C@@H](C)C1 ZINC000481016162 383423190 /nfs/dbraw/zinc/42/31/90/383423190.db2.gz AECOQIDKVBZSOW-UXLLHSPISA-N 2 0 276.424 2.692 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CC(F)(F)C2)C[C@H]1C ZINC000450471140 383424633 /nfs/dbraw/zinc/42/46/33/383424633.db2.gz VMMVQNUGOPCGKW-YPMHNXCESA-N 2 0 260.372 2.836 20 0 CFADRP CCOC1(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CCCC1 ZINC000340461128 383425538 /nfs/dbraw/zinc/42/55/38/383425538.db2.gz DQYXMAXIWFBYQQ-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)[N@H+](C)CCCN[C@H](C)c1ccncc1F ZINC000340469533 383429986 /nfs/dbraw/zinc/42/99/86/383429986.db2.gz KJLBLLWZLCZOEO-GFCCVEGCSA-N 2 0 253.365 2.602 20 0 CFADRP C[C@H]1CN(C)CC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000252731476 383430640 /nfs/dbraw/zinc/43/06/40/383430640.db2.gz QBPUFQOGMCNZKE-YJNKEBTESA-N 2 0 258.409 2.862 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)[C@@H]1CCCOC1 ZINC000340474334 383432731 /nfs/dbraw/zinc/43/27/31/383432731.db2.gz GQVIZESEPUHZTG-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@]1(C)CCCO1 ZINC000340473646 383432742 /nfs/dbraw/zinc/43/27/42/383432742.db2.gz JTFDYHBWJOKDGJ-YVSFHVDLSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@@]1(C)CCCO1 ZINC000340473361 383432824 /nfs/dbraw/zinc/43/28/24/383432824.db2.gz BNNVYPBDHGVOGR-CXAGYDPISA-N 2 0 294.414 2.935 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252764117 383433261 /nfs/dbraw/zinc/43/32/61/383433261.db2.gz HSEAJGFUFYXWOF-CORIIIEPSA-N 2 0 250.361 2.946 20 0 CFADRP CCn1cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC000340475987 383434016 /nfs/dbraw/zinc/43/40/16/383434016.db2.gz DQLUQMCTWSDMCL-HNNXBMFYSA-N 2 0 278.444 2.820 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000252853650 383437496 /nfs/dbraw/zinc/43/74/96/383437496.db2.gz JGCOXOQKMWFFBC-ULQDDVLXSA-N 2 0 258.409 2.863 20 0 CFADRP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000252890643 383438686 /nfs/dbraw/zinc/43/86/86/383438686.db2.gz IHYKCYRWNDQQOC-HIFRSBDPSA-N 2 0 292.423 2.524 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252890091 383438839 /nfs/dbraw/zinc/43/88/39/383438839.db2.gz GQBQUNJNQGUIRF-IUODEOHRSA-N 2 0 264.438 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(OC)CCCCC2)[C@@H](C)C1 ZINC000483253200 383444338 /nfs/dbraw/zinc/44/43/38/383444338.db2.gz BORPEBJRWSEPBZ-HOTGVXAUSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)N(C)CC12CC(C1)C[NH2+]2 ZINC000634991406 383446951 /nfs/dbraw/zinc/44/69/51/383446951.db2.gz CKIPASSXYXEFHR-RWWNRMGGSA-N 2 0 266.335 2.710 20 0 CFADRP CN(Cc1ccc(Br)cc1)CC12CC(C1)C[NH2+]2 ZINC000634991811 383447008 /nfs/dbraw/zinc/44/70/08/383447008.db2.gz RUTRGXKRBPKYJX-UHFFFAOYSA-N 2 0 295.224 2.633 20 0 CFADRP Cc1ccccc1[C@H]1CCCN1CC12CC(C1)C[NH2+]2 ZINC000634991588 383447325 /nfs/dbraw/zinc/44/73/25/383447325.db2.gz JZWRFQPWHUDGKI-ARWYELJZSA-N 2 0 256.393 2.884 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000253202050 383448420 /nfs/dbraw/zinc/44/84/20/383448420.db2.gz YPJHTEMWDAEOBL-BXUZGUMPSA-N 2 0 282.815 2.778 20 0 CFADRP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000634996005 383450432 /nfs/dbraw/zinc/45/04/32/383450432.db2.gz WGLAJSGXEXXSAN-IUODEOHRSA-N 2 0 291.439 2.692 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995441 383450988 /nfs/dbraw/zinc/45/09/88/383450988.db2.gz DWGPXNMPFSMLJD-AWEZNQCLSA-N 2 0 298.434 2.938 20 0 CFADRP CC(C)[C@H](C[NH3+])C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000634996332 383452400 /nfs/dbraw/zinc/45/24/00/383452400.db2.gz HBTPZQNCHHENER-HZPDHXFCSA-N 2 0 275.440 2.624 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000634998558 383453686 /nfs/dbraw/zinc/45/36/86/383453686.db2.gz HHTGPUJZNLLPIA-UHFFFAOYSA-N 2 0 281.488 2.715 20 0 CFADRP CCc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc[nH+]1 ZINC000450546339 383455499 /nfs/dbraw/zinc/45/54/99/383455499.db2.gz GSZLSGPTXYVAHA-CYBMUJFWSA-N 2 0 259.397 2.565 20 0 CFADRP CCCC[C@@H](CC)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001381 383457723 /nfs/dbraw/zinc/45/77/23/383457723.db2.gz QZQURDSCZVFZFY-OAHLLOKOSA-N 2 0 270.461 2.639 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000635002764 383458062 /nfs/dbraw/zinc/45/80/62/383458062.db2.gz YXAIXKSXUOTLIU-WZRBSPASSA-N 2 0 289.379 2.715 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)C1 ZINC000569000538 383459391 /nfs/dbraw/zinc/45/93/91/383459391.db2.gz LFZHBLTTYBEVCV-ZACQAIPSSA-N 2 0 287.451 2.763 20 0 CFADRP [NH3+]CC1CCC([NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000635002775 383459370 /nfs/dbraw/zinc/45/93/70/383459370.db2.gz ZHCFJWGTUJHQIP-WDIPEOLASA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003781 383459962 /nfs/dbraw/zinc/45/99/62/383459962.db2.gz BPOHLJHJAADMQY-DZKIICNBSA-N 2 0 289.423 2.511 20 0 CFADRP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1C[C@H]1C ZINC000635004455 383460423 /nfs/dbraw/zinc/46/04/23/383460423.db2.gz OSWDCLOFLHZZED-DQYPLSBCSA-N 2 0 258.409 2.857 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccncc1 ZINC000635006151 383461768 /nfs/dbraw/zinc/46/17/68/383461768.db2.gz LBKWGMRXAUXNPX-WMLDXEAASA-N 2 0 269.392 2.692 20 0 CFADRP [NH3+]CC12CCC(CC1)CN2CCSc1ccccc1 ZINC000569019679 383461818 /nfs/dbraw/zinc/46/18/18/383461818.db2.gz NHSCDVMLTVHNAU-UHFFFAOYSA-N 2 0 276.449 2.982 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635005318 383462207 /nfs/dbraw/zinc/46/22/07/383462207.db2.gz HLTQATHWHYLKQF-FRFSOERESA-N 2 0 273.424 2.835 20 0 CFADRP COc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CCC2)cc1 ZINC000569258925 383482658 /nfs/dbraw/zinc/48/26/58/383482658.db2.gz NOLUPIPCNSOJCH-HZPDHXFCSA-N 2 0 288.435 2.976 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635006767 383462973 /nfs/dbraw/zinc/46/29/73/383462973.db2.gz NLSRFPUXFBWLBB-IHRRRGAJSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3(F)CC3)CC2)C[C@H](C)O1 ZINC000527219372 383463570 /nfs/dbraw/zinc/46/35/70/383463570.db2.gz SDNJBNHQRIDKSK-GASCZTMLSA-N 2 0 298.446 2.700 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CC2 ZINC000635008778 383464560 /nfs/dbraw/zinc/46/45/60/383464560.db2.gz VJTOLTLPKSZICW-JDFRZJQESA-N 2 0 274.408 2.790 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000635008079 383464761 /nfs/dbraw/zinc/46/47/61/383464761.db2.gz ZBIUPEJLFYNGPG-FPCVCCKLSA-N 2 0 290.455 2.553 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000485697873 383465346 /nfs/dbraw/zinc/46/53/46/383465346.db2.gz UAXDEWYAHTWDFO-MRVWCRGKSA-N 2 0 286.341 2.872 20 0 CFADRP c1cc(C[NH2+][C@H]2CCC23CCC3)c2c(c1)C[NH2+]CC2 ZINC000635008927 383465688 /nfs/dbraw/zinc/46/56/88/383465688.db2.gz HQKRIPBMYPLAAK-INIZCTEOSA-N 2 0 256.393 2.755 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(C)n1 ZINC000635008883 383466154 /nfs/dbraw/zinc/46/61/54/383466154.db2.gz FMRLBNWGBZODSP-GXTWGEPZSA-N 2 0 276.428 2.522 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC2([C@H]3CCCCO3)CCC2)CC1 ZINC000635010771 383466702 /nfs/dbraw/zinc/46/67/02/383466702.db2.gz BCSVODJCJIBSPW-UYSNPLJNSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000635010667 383466915 /nfs/dbraw/zinc/46/69/15/383466915.db2.gz UKZLSUJUENFLRK-UHFFFAOYSA-N 2 0 254.324 2.572 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635010730 383467117 /nfs/dbraw/zinc/46/71/17/383467117.db2.gz AUEHJZSMUAEFOO-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(O)c1 ZINC000635011104 383467348 /nfs/dbraw/zinc/46/73/48/383467348.db2.gz MGXJGHMSNYERBL-GXTWGEPZSA-N 2 0 262.397 2.821 20 0 CFADRP C[C@H](CC1CCOCC1)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010088 383467415 /nfs/dbraw/zinc/46/74/15/383467415.db2.gz YEPMDJDKDQJDIZ-CRAIPNDOSA-N 2 0 290.451 2.741 20 0 CFADRP COC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C1CCCC1 ZINC000635010293 383467474 /nfs/dbraw/zinc/46/74/74/383467474.db2.gz JJXFXLWNKHCHPG-HUUCEWRRSA-N 2 0 268.445 2.559 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000635012394 383468079 /nfs/dbraw/zinc/46/80/79/383468079.db2.gz MHLYEEFWPGUMLW-BZUAXINKSA-N 2 0 280.456 2.975 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012202 383468591 /nfs/dbraw/zinc/46/85/91/383468591.db2.gz SFPCMKZARUOTHX-GXTWGEPZSA-N 2 0 250.386 2.578 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000635012168 383468654 /nfs/dbraw/zinc/46/86/54/383468654.db2.gz RMRYJDGEOJHUSH-TWMKSMIVSA-N 2 0 294.483 2.950 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cncc(F)c1 ZINC000635013596 383469293 /nfs/dbraw/zinc/46/92/93/383469293.db2.gz ZMZBBDROXAGAPA-BXUZGUMPSA-N 2 0 265.376 2.650 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000635013324 383469741 /nfs/dbraw/zinc/46/97/41/383469741.db2.gz RAMLKPKHIVMODC-PMPSAXMXSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569121556 383469953 /nfs/dbraw/zinc/46/99/53/383469953.db2.gz HCWCAVRUIJJDBZ-ZACQAIPSSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc2cccnc2c1 ZINC000635020099 383472944 /nfs/dbraw/zinc/47/29/44/383472944.db2.gz JRFGROLTXQAPMN-CYBMUJFWSA-N 2 0 257.381 2.842 20 0 CFADRP CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000450593603 383473742 /nfs/dbraw/zinc/47/37/42/383473742.db2.gz BJSZXKOGPXIHBG-FGTMMUONSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635023888 383474939 /nfs/dbraw/zinc/47/49/39/383474939.db2.gz UAOYYYJGLVMXAN-XJKSGUPXSA-N 2 0 269.392 2.713 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000480532462 383417629 /nfs/dbraw/zinc/41/76/29/383417629.db2.gz YBJQIXZKQGFGQZ-KSZLIROESA-N 3 0 295.515 2.817 20 0 CFADRP CCc1cc(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC000450458013 383418552 /nfs/dbraw/zinc/41/85/52/383418552.db2.gz SZIMUTKTTFWHSB-HOTGVXAUSA-N 2 0 291.464 2.660 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)C1CCCCC1 ZINC000480758461 383420426 /nfs/dbraw/zinc/42/04/26/383420426.db2.gz CVVGVLBTORKVEJ-INIZCTEOSA-N 2 0 270.461 2.903 20 0 CFADRP COCC1(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCC1 ZINC000340444405 383421456 /nfs/dbraw/zinc/42/14/56/383421456.db2.gz LXHVDIYXUFJGHS-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000340442378 383421538 /nfs/dbraw/zinc/42/15/38/383421538.db2.gz ZMHCUKFFJMOFPY-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@@H]1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000488467666 383547460 /nfs/dbraw/zinc/54/74/60/383547460.db2.gz WQUMYLRHFBYQCN-UKRRQHHQSA-N 2 0 259.397 2.544 20 0 CFADRP CC(C)N(C)c1ccc(CN2CCCC[C@H]2[C@H](C)[NH3+])cn1 ZINC000261725781 383547646 /nfs/dbraw/zinc/54/76/46/383547646.db2.gz GQWZFCDTMCGDCG-HOCLYGCPSA-N 2 0 290.455 2.628 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000569301605 383484631 /nfs/dbraw/zinc/48/46/31/383484631.db2.gz YGYWJPKZZSCKCC-CQSZACIVSA-N 2 0 278.444 2.847 20 0 CFADRP CC(C)COc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261729069 383549927 /nfs/dbraw/zinc/54/99/27/383549927.db2.gz JUYAXQWZYGHBHS-QGZVFWFLSA-N 2 0 276.424 2.892 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000257723765 383497442 /nfs/dbraw/zinc/49/74/42/383497442.db2.gz WBTLPFFUFXQEOB-CQSZACIVSA-N 2 0 250.411 2.632 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[NH2+]C(C)C ZINC000569447557 383500383 /nfs/dbraw/zinc/50/03/83/383500383.db2.gz AHAAGUXYXULHQG-OAHLLOKOSA-N 2 0 280.387 2.799 20 0 CFADRP [NH3+]CC1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000260604692 383506337 /nfs/dbraw/zinc/50/63/37/383506337.db2.gz RRFSNOSRARARCO-UHFFFAOYSA-N 2 0 262.397 2.516 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3sccc3Cl)C[C@@H]21 ZINC000261563258 383512580 /nfs/dbraw/zinc/51/25/80/383512580.db2.gz WWGZRLQISOMSEH-JFGNBEQYSA-N 2 0 270.829 2.961 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000569568153 383514196 /nfs/dbraw/zinc/51/41/96/383514196.db2.gz FZSAGEGBTYFPCI-IRXDYDNUSA-N 2 0 284.488 2.885 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCc2ccccc2F)C1 ZINC000569591270 383515934 /nfs/dbraw/zinc/51/59/34/383515934.db2.gz ZJDMGNOMXMJGEQ-ZIAGYGMSSA-N 2 0 250.361 2.618 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC000528403208 383522034 /nfs/dbraw/zinc/52/20/34/383522034.db2.gz CEXGMIIPAZOXEI-LSDHHAIUSA-N 2 0 250.430 2.839 20 0 CFADRP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261589154 383522469 /nfs/dbraw/zinc/52/24/69/383522469.db2.gz KNUZXNQDDIBGGC-OFQRWUPVSA-N 2 0 262.372 2.818 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261589459 383522763 /nfs/dbraw/zinc/52/27/63/383522763.db2.gz KTTSAFSXAWGIFY-MRXNPFEDSA-N 2 0 262.397 2.645 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261596747 383524965 /nfs/dbraw/zinc/52/49/65/383524965.db2.gz QNWXCUUSJBAXOD-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261609115 383527949 /nfs/dbraw/zinc/52/79/49/383527949.db2.gz DOQGJXBRENTYPQ-MRXNPFEDSA-N 2 0 289.354 2.651 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CC(C)(C)C1 ZINC000528423557 383530122 /nfs/dbraw/zinc/53/01/22/383530122.db2.gz VTOFFZLYUNUKDI-OAGGEKHMSA-N 2 0 280.456 2.606 20 0 CFADRP C/C(Cl)=C/C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000528425955 383531009 /nfs/dbraw/zinc/53/10/09/383531009.db2.gz SEYNYJUGIBQEAU-ZZLHDFKSSA-N 2 0 253.777 2.909 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)CC1 ZINC000261650398 383537105 /nfs/dbraw/zinc/53/71/05/383537105.db2.gz BARFXIORGMFSMP-MRXNPFEDSA-N 2 0 273.424 2.571 20 0 CFADRP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261656057 383538301 /nfs/dbraw/zinc/53/83/01/383538301.db2.gz YPPMUAVUTYCGLT-IRXDYDNUSA-N 2 0 256.393 2.748 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000261664754 383539863 /nfs/dbraw/zinc/53/98/63/383539863.db2.gz AFHVRIJZQLDBHD-KGLIPLIRSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000569823757 383542349 /nfs/dbraw/zinc/54/23/49/383542349.db2.gz ACPHFDYJUOXPKQ-QBPKDAKJSA-N 2 0 274.408 2.624 20 0 CFADRP Fc1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261692561 383542891 /nfs/dbraw/zinc/54/28/91/383542891.db2.gz NNPQKBOHNOZDIG-WBMJQRKESA-N 2 0 285.366 2.558 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)CS1 ZINC000488451660 383543615 /nfs/dbraw/zinc/54/36/15/383543615.db2.gz VXLNXWAUOUNODW-CABCVRRESA-N 2 0 270.486 2.979 20 0 CFADRP CC[N@H+](CCc1cccs1)C[C@@]1(C)CC[NH2+]C1 ZINC000261876353 383574208 /nfs/dbraw/zinc/57/42/08/383574208.db2.gz QAZWIYHIUOCYHX-AWEZNQCLSA-N 2 0 252.427 2.612 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430917924 383611264 /nfs/dbraw/zinc/61/12/64/383611264.db2.gz FJQFZMXIKSJCFU-LLVKDONJSA-N 2 0 270.829 2.713 20 0 CFADRP C[N@H+](C[C@@H]1CCC(F)(F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450982774 383577314 /nfs/dbraw/zinc/57/73/14/383577314.db2.gz NDFKFSBTWFXMBB-HABKJSAYSA-N 2 0 272.383 2.979 20 0 CFADRP C[C@]1(CN(Cc2ccc(F)cc2F)C2CC2)CC[NH2+]C1 ZINC000261915321 383579787 /nfs/dbraw/zinc/57/97/87/383579787.db2.gz ZENIFHAZJYYYCC-INIZCTEOSA-N 2 0 280.362 2.929 20 0 CFADRP C[C@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430915320 383611397 /nfs/dbraw/zinc/61/13/97/383611397.db2.gz CEEMIUCHOZYHKL-MRXNPFEDSA-N 2 0 272.436 2.941 20 0 CFADRP C[C@]1(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]C1 ZINC000261921299 383580723 /nfs/dbraw/zinc/58/07/23/383580723.db2.gz BRBZVHKPMDFOBW-MSOLQXFVSA-N 3 0 293.499 2.574 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccncc2C)C[C@@H]1C ZINC000570206955 383581586 /nfs/dbraw/zinc/58/15/86/383581586.db2.gz XDZDKOBYQXDFNB-RDJZCZTQSA-N 2 0 275.440 2.737 20 0 CFADRP [NH3+]C[C@@H]1CC[N@H+](CCSc2ccc(Cl)cc2)C1 ZINC000430917925 383611617 /nfs/dbraw/zinc/61/16/17/383611617.db2.gz FJQFZMXIKSJCFU-NSHDSACASA-N 2 0 270.829 2.713 20 0 CFADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000261936592 383583468 /nfs/dbraw/zinc/58/34/68/383583468.db2.gz ZOUGVMASZJMUCT-AWEZNQCLSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@]1(C[NH+]2CCC(COc3ccccc3)CC2)CC[NH2+]C1 ZINC000261957107 383586170 /nfs/dbraw/zinc/58/61/70/383586170.db2.gz GUURKZVNXQFKCV-GOSISDBHSA-N 2 0 288.435 2.777 20 0 CFADRP c1ccc2c(c1)CC(C[NH2+]CC1CC[NH+](C3CC3)CC1)C2 ZINC000570253335 383586308 /nfs/dbraw/zinc/58/63/08/383586308.db2.gz KYTMLZXDVSHLOV-UHFFFAOYSA-N 2 0 284.447 2.865 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261962656 383586882 /nfs/dbraw/zinc/58/68/82/383586882.db2.gz PKWSTSRGPCKBMR-HNNXBMFYSA-N 2 0 298.434 2.566 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000570262198 383587262 /nfs/dbraw/zinc/58/72/62/383587262.db2.gz RMGDWNZYQRKVBA-OIISXLGYSA-N 2 0 281.488 2.794 20 0 CFADRP Cc1ccc(OC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261958379 383587984 /nfs/dbraw/zinc/58/79/84/383587984.db2.gz GWQCGEBPVOHGPP-SFHVURJKSA-N 2 0 288.435 2.838 20 0 CFADRP C[C@@]1(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC[NH2+]C1 ZINC000261967410 383588215 /nfs/dbraw/zinc/58/82/15/383588215.db2.gz HXYIGFNSAPCNEQ-GDBMZVCRSA-N 2 0 262.372 2.615 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)CC[C@@H]1[NH3+] ZINC000261969991 383588772 /nfs/dbraw/zinc/58/87/72/383588772.db2.gz QEAJBPLOKPLNEK-DYVFJYSZSA-N 2 0 274.408 2.645 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261980377 383590155 /nfs/dbraw/zinc/59/01/55/383590155.db2.gz JDXXIOWQDYZFRT-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cc(NC[C@@H](C)C[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000489014392 383590825 /nfs/dbraw/zinc/59/08/25/383590825.db2.gz OKPHJPXJVJZMSS-LLVKDONJSA-N 2 0 275.371 2.714 20 0 CFADRP Cc1cc(C)c2c(c1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000262002296 383592841 /nfs/dbraw/zinc/59/28/41/383592841.db2.gz UGHWZWQUSLAEBP-UHFFFAOYSA-N 2 0 258.409 2.661 20 0 CFADRP C[C@@]1(C[NH+]2CCC(c3ccsc3)CC2)CC[NH2+]C1 ZINC000262016567 383594828 /nfs/dbraw/zinc/59/48/28/383594828.db2.gz MURNRSDRHFMLLJ-OAHLLOKOSA-N 2 0 264.438 2.927 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1C ZINC000262023514 383595986 /nfs/dbraw/zinc/59/59/86/383595986.db2.gz WLMHANWNPUULRZ-AWEZNQCLSA-N 2 0 262.397 2.564 20 0 CFADRP C[C@@]1([NH3+])CCCC[C@H]1c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000262044730 383599638 /nfs/dbraw/zinc/59/96/38/383599638.db2.gz PPSPXJZZQBFDLH-XJKSGUPXSA-N 2 0 286.379 2.570 20 0 CFADRP COc1cccc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000262050257 383600198 /nfs/dbraw/zinc/60/01/98/383600198.db2.gz ZMAVSGIDWRYCLG-OAHLLOKOSA-N 2 0 288.435 2.874 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262118978 383607482 /nfs/dbraw/zinc/60/74/82/383607482.db2.gz LQWQTWOKCUGFNA-SGIREYDYSA-N 2 0 294.826 2.908 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1 ZINC000422753459 532995220 /nfs/dbraw/zinc/99/52/20/532995220.db2.gz IIMQUEOZOXQRCH-QAPCUYQASA-N 2 0 284.403 2.614 20 0 CFADRP C[C@]1(C[N@@H+]2CCCCC[C@H]2c2ccncc2)CC[NH2+]C1 ZINC000261765735 383555241 /nfs/dbraw/zinc/55/52/41/383555241.db2.gz LYLLMNMQEYJPEO-IRXDYDNUSA-N 2 0 273.424 2.998 20 0 CFADRP Cc1cnc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000341077474 383555615 /nfs/dbraw/zinc/55/56/15/383555615.db2.gz LLPZAHJXVQKTEH-HUUCEWRRSA-N 2 0 292.471 2.576 20 0 CFADRP C[N@@H+]1CC[C@H]2CCN(Cc3cc4ccc(F)cc4[nH]3)[C@H]2C1 ZINC000488534110 383556282 /nfs/dbraw/zinc/55/62/82/383556282.db2.gz AFYDYOBZSZJVNK-SJCJKPOMSA-N 2 0 287.382 2.833 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261770853 383557274 /nfs/dbraw/zinc/55/72/74/383557274.db2.gz MOOZYKQIJAJXJA-DLBZAZTESA-N 2 0 274.408 2.832 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000261772180 383557331 /nfs/dbraw/zinc/55/73/31/383557331.db2.gz DTLIKASGBDGZLS-INIZCTEOSA-N 2 0 278.465 2.851 20 0 CFADRP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000261778025 383558433 /nfs/dbraw/zinc/55/84/33/383558433.db2.gz FDQYNGPLYOGQNE-NSHDSACASA-N 2 0 290.436 2.697 20 0 CFADRP C[N@H+](CC1CC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528506510 383559833 /nfs/dbraw/zinc/55/98/33/383559833.db2.gz QNPSMKKJWBAPOS-YIONKMFJSA-N 2 0 250.430 2.980 20 0 CFADRP c1cc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cs1 ZINC000261787589 383561692 /nfs/dbraw/zinc/56/16/92/383561692.db2.gz PVPTWDXDUIPSTF-AWEZNQCLSA-N 2 0 250.411 2.885 20 0 CFADRP c1cc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cs1 ZINC000261787654 383562106 /nfs/dbraw/zinc/56/21/06/383562106.db2.gz PVPTWDXDUIPSTF-CQSZACIVSA-N 2 0 250.411 2.885 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)[C@H]2C)CS1 ZINC000488582574 383563299 /nfs/dbraw/zinc/56/32/99/383563299.db2.gz OAGFSGGDQHLCDK-XUXIUFHCSA-N 2 0 256.459 2.589 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000570044193 383564493 /nfs/dbraw/zinc/56/44/93/383564493.db2.gz AKXHEGQKSXWHPW-KBPBESRZSA-N 2 0 299.418 2.973 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261809468 383564529 /nfs/dbraw/zinc/56/45/29/383564529.db2.gz OPKRDYOJJYKXHX-ABAIWWIYSA-N 2 0 265.401 2.704 20 0 CFADRP C[NH2+][C@H]1CCCN(Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000261826900 383567492 /nfs/dbraw/zinc/56/74/92/383567492.db2.gz VBVCJPUTJMCLGL-KRWDZBQOSA-N 2 0 298.434 2.673 20 0 CFADRP COc1ccc(Cl)c(CN[C@](C)(C[NH3+])C(C)C)c1 ZINC000261830351 383567827 /nfs/dbraw/zinc/56/78/27/383567827.db2.gz ALIOYFPPPBMZDA-CQSZACIVSA-N 2 0 270.804 2.812 20 0 CFADRP C[C@]1(c2ccccc2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261831611 383567915 /nfs/dbraw/zinc/56/79/15/383567915.db2.gz JCZRJCHYZAESRR-RDJZCZTQSA-N 2 0 258.409 2.650 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000261840858 383569211 /nfs/dbraw/zinc/56/92/11/383569211.db2.gz UJNCWKZBZWNNJF-XHSDSOJGSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCC1CCOCC1 ZINC000423144007 532993133 /nfs/dbraw/zinc/99/31/33/532993133.db2.gz FWMGENXMXMYNFZ-QAPCUYQASA-N 2 0 290.451 2.741 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280897553 195020198 /nfs/dbraw/zinc/02/01/98/195020198.db2.gz PMIGEUCFRBBYNN-INIZCTEOSA-N 2 0 261.413 2.854 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000430957185 383616643 /nfs/dbraw/zinc/61/66/43/383616643.db2.gz RDDHRGAWNQKWFF-OAHLLOKOSA-N 2 0 284.403 2.889 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCCOc2cccc3ccccc32)C1 ZINC000430967149 383617564 /nfs/dbraw/zinc/61/75/64/383617564.db2.gz RBNXXWWVJCZGIB-OAHLLOKOSA-N 2 0 284.403 2.889 20 0 CFADRP CCc1ccccc1[C@H](N)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000572112149 383755653 /nfs/dbraw/zinc/75/56/53/383755653.db2.gz KNOPHXWJUSIRHS-IAGOWNOFSA-N 2 0 298.434 2.650 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC[C@H]2CCOC2)C[C@@H]1C ZINC000645811903 383757136 /nfs/dbraw/zinc/75/71/36/383757136.db2.gz WONCCMOHWLIBTM-JYJNAYRXSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1nc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)[nH]c1C ZINC000572135731 383758164 /nfs/dbraw/zinc/75/81/64/383758164.db2.gz KFGNEOAXPJTQSN-KRWDZBQOSA-N 2 0 298.434 2.953 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000070346723 412970587 /nfs/dbraw/zinc/97/05/87/412970587.db2.gz FIVIVIPKWFNUIE-OCCSQVGLSA-N 2 0 268.445 2.843 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccncc2)C1 ZINC000453098237 383765372 /nfs/dbraw/zinc/76/53/72/383765372.db2.gz PSKVQJODUGZANS-ZBFHGGJFSA-N 2 0 261.413 2.854 20 0 CFADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCCC2(C)C)CC1(C)C ZINC000571027303 383660420 /nfs/dbraw/zinc/66/04/20/383660420.db2.gz AENUEAWVEFRCIK-HNNXBMFYSA-N 2 0 281.488 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H](C)C1 ZINC000571109373 383665600 /nfs/dbraw/zinc/66/56/00/383665600.db2.gz AMSPTSHKKBFAEX-JJXSEGSLSA-N 2 0 286.435 2.604 20 0 CFADRP CO[C@@](C)([C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1)C1CC1 ZINC000414234067 533005212 /nfs/dbraw/zinc/00/52/12/533005212.db2.gz SGTJQTRCHMWHDJ-CJNGLKHVSA-N 2 0 268.445 2.652 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000640015510 383672263 /nfs/dbraw/zinc/67/22/63/383672263.db2.gz LGGMQDDDMGXVFM-OAHLLOKOSA-N 2 0 268.445 2.608 20 0 CFADRP CCC1([NH+](C)C)CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000640015116 383673039 /nfs/dbraw/zinc/67/30/39/383673039.db2.gz DOQRAKBOBLAPTN-IAGOWNOFSA-N 2 0 295.515 2.771 20 0 CFADRP CCC1([NH+](C)C)CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000640016665 383673044 /nfs/dbraw/zinc/67/30/44/383673044.db2.gz AKACCXYGRFMHDL-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2nccn21 ZINC000453229536 383809151 /nfs/dbraw/zinc/80/91/51/383809151.db2.gz REHMIMQRSODDDF-CABCVRRESA-N 2 0 276.428 2.745 20 0 CFADRP CCO[C@@H](C[N@H+](C)CCCC[NH+]1CCCCC1)C1CC1 ZINC000640534264 383819622 /nfs/dbraw/zinc/81/96/22/383819622.db2.gz OPLFSEXCDMHTBM-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCOC1 ZINC000640533263 383819928 /nfs/dbraw/zinc/81/99/28/383819928.db2.gz QISDDPVTXUIJHC-MRXNPFEDSA-N 2 0 268.445 2.611 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCOC1 ZINC000640533261 383820082 /nfs/dbraw/zinc/82/00/82/383820082.db2.gz QISDDPVTXUIJHC-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP C[NH2+]CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000435870521 383781676 /nfs/dbraw/zinc/78/16/76/383781676.db2.gz NYDHLYNAAJAYDD-CQSZACIVSA-N 2 0 276.424 2.905 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)nc2)c1 ZINC000436234589 383789946 /nfs/dbraw/zinc/78/99/46/383789946.db2.gz XULKCNOCBAWRRP-UHFFFAOYSA-N 2 0 299.418 2.832 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(CCc3c(F)cccc3F)C2)C1 ZINC000645922725 383795545 /nfs/dbraw/zinc/79/55/45/383795545.db2.gz OMROIMDQCVFODU-QGZVFWFLSA-N 2 0 294.389 2.925 20 0 CFADRP C[N@H+](CCCC[NH2+][C@H]1CCCC12CCOCC2)C1CC1 ZINC000453389459 383850234 /nfs/dbraw/zinc/85/02/34/383850234.db2.gz CMJITKCHTUOXOB-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CC1 ZINC000453411647 383851821 /nfs/dbraw/zinc/85/18/21/383851821.db2.gz VVCDWMYQEVXIHS-ARFHVFGLSA-N 2 0 280.456 2.654 20 0 CFADRP COc1ccc(F)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453592400 383862513 /nfs/dbraw/zinc/86/25/13/383862513.db2.gz DYMOHSHMIJWCBX-UHFFFAOYSA-N 2 0 280.387 2.798 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC000453602785 383872469 /nfs/dbraw/zinc/87/24/69/383872469.db2.gz PPYFCSYLMRYRSO-UHFFFAOYSA-N 2 0 268.351 2.929 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CC[C@H]1CCCC[NH+]1C)CCOCC2 ZINC000646101032 383873208 /nfs/dbraw/zinc/87/32/08/383873208.db2.gz USROUEQCMCPBDE-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000070346905 412971306 /nfs/dbraw/zinc/97/13/06/412971306.db2.gz ZEBWFGXIUHEGIY-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000531725340 383911859 /nfs/dbraw/zinc/91/18/59/383911859.db2.gz JCOKJJQEYOFBRB-ZDUSSCGKSA-N 2 0 268.445 2.654 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000423167011 533018833 /nfs/dbraw/zinc/01/88/33/533018833.db2.gz RSSVVIHSYCXHEK-XQLPTFJDSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000422757893 533020415 /nfs/dbraw/zinc/02/04/15/533020415.db2.gz NHSQKUHCBKQTTE-PWSUYJOCSA-N 2 0 288.794 2.884 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000422793217 533020885 /nfs/dbraw/zinc/02/08/85/533020885.db2.gz WRHNSGNKTLMMPU-RDJZCZTQSA-N 2 0 294.439 2.736 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000422919248 533021073 /nfs/dbraw/zinc/02/10/73/533021073.db2.gz JJQKGFJGVBLMSD-MNOVXSKESA-N 2 0 288.794 2.884 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000422922542 533021246 /nfs/dbraw/zinc/02/12/46/533021246.db2.gz TXLSPKUKCUDEFE-OCCSQVGLSA-N 2 0 268.376 2.539 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000423105266 533022655 /nfs/dbraw/zinc/02/26/55/533022655.db2.gz YUOIVHDNIZODDG-XIRDDKMYSA-N 2 0 294.414 2.805 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCCCn1ccnc1 ZINC000532194979 383990056 /nfs/dbraw/zinc/99/00/56/383990056.db2.gz UDTJKWUIDIBXIE-MRXNPFEDSA-N 2 0 285.391 2.949 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000532212244 383991892 /nfs/dbraw/zinc/99/18/92/383991892.db2.gz PZJJQGRRPZYEDA-IRXDYDNUSA-N 2 0 282.472 2.782 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C1CCOCC1 ZINC000532213888 383993994 /nfs/dbraw/zinc/99/39/94/383993994.db2.gz BRSAIMDQFXUZSG-MRXNPFEDSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000532214642 383994055 /nfs/dbraw/zinc/99/40/55/383994055.db2.gz OXYKIAKNZGYJNV-IOASZLSFSA-N 2 0 264.388 2.859 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)CCO1 ZINC000070346907 412971561 /nfs/dbraw/zinc/97/15/61/412971561.db2.gz AUYLSFPORJJJLG-CVEARBPZSA-N 2 0 268.445 2.656 20 0 CFADRP c1ccc(OCCCC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000438077171 383942096 /nfs/dbraw/zinc/94/20/96/383942096.db2.gz LFPRSVHTJFSRDH-MRXNPFEDSA-N 2 0 288.435 2.920 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000438077783 383942408 /nfs/dbraw/zinc/94/24/08/383942408.db2.gz VYFIQDAWZQJSMF-SFHVURJKSA-N 2 0 288.435 2.799 20 0 CFADRP CCCCOc1ccc(CC[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000531936470 383943930 /nfs/dbraw/zinc/94/39/30/383943930.db2.gz KPCLJKDWNWQEJJ-QAPCUYQASA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC[C@@H]1CCOC1 ZINC000438085743 383945650 /nfs/dbraw/zinc/94/56/50/383945650.db2.gz DNCBPSIMVOWZSU-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000531978358 383951289 /nfs/dbraw/zinc/95/12/89/383951289.db2.gz KCQQHGHJFBAZGH-YQPCPPDFSA-N 2 0 276.399 2.989 20 0 CFADRP CCCN(CC)CC[NH2+][C@@H](CC)C1CCOCC1 ZINC000531994013 383956850 /nfs/dbraw/zinc/95/68/50/383956850.db2.gz BTRMAMQEEKOFQC-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000438175156 383964057 /nfs/dbraw/zinc/96/40/57/383964057.db2.gz HTTHVYKUMKBJIC-YESZJQIVSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[NH+](CCC[NH2+]CC[C@H]1CCOC1)C(C)C ZINC000438192262 383969541 /nfs/dbraw/zinc/96/95/41/383969541.db2.gz QFMCJJYDGNAUNI-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000573888269 384004800 /nfs/dbraw/zinc/00/48/00/384004800.db2.gz LPBIIZUMGDRENW-HNNXBMFYSA-N 2 0 272.436 2.721 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000574159522 384053555 /nfs/dbraw/zinc/05/35/55/384053555.db2.gz YVTLTTPXPSFEIU-RCCFBDPRSA-N 2 0 288.435 2.830 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000532620343 384052346 /nfs/dbraw/zinc/05/23/46/384052346.db2.gz SSINPOZPROACGF-OLZOCXBDSA-N 2 0 252.446 2.989 20 0 CFADRP Cc1cnccc1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000574154449 384052344 /nfs/dbraw/zinc/05/23/44/384052344.db2.gz ZYPQSONZNLFMFF-GOSISDBHSA-N 2 0 287.451 2.883 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)CC[N@@H+]1C ZINC000532441397 384027854 /nfs/dbraw/zinc/02/78/54/384027854.db2.gz WGAKINUYSBDMCA-TZMCWYRMSA-N 2 0 298.377 2.903 20 0 CFADRP CCC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000532442210 384028636 /nfs/dbraw/zinc/02/86/36/384028636.db2.gz KOHXTIKISDLHGH-GJZGRUSLSA-N 2 0 295.496 2.815 20 0 CFADRP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532504262 384038940 /nfs/dbraw/zinc/03/89/40/384038940.db2.gz XUUDRDZHJLVGPF-UXLLHSPISA-N 2 0 280.456 2.656 20 0 CFADRP COCC[NH2+]C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000574210636 384060193 /nfs/dbraw/zinc/06/01/93/384060193.db2.gz NKWBOWMCGRDQIQ-INIZCTEOSA-N 2 0 290.451 2.881 20 0 CFADRP CCCN(CC)C[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000574489550 384104554 /nfs/dbraw/zinc/10/45/54/384104554.db2.gz LYRPMPASOPIFEU-FPCVCCKLSA-N 2 0 280.456 2.654 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000574501387 384105428 /nfs/dbraw/zinc/10/54/28/384105428.db2.gz CQYQYKDFXYXHNI-GWCFXTLKSA-N 2 0 254.324 2.572 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000574680822 384132008 /nfs/dbraw/zinc/13/20/08/384132008.db2.gz IHQLXCQXXPYLKE-IUODEOHRSA-N 2 0 297.402 2.943 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000574680824 384132315 /nfs/dbraw/zinc/13/23/15/384132315.db2.gz IHQLXCQXXPYLKE-WFASDCNBSA-N 2 0 297.402 2.943 20 0 CFADRP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000346998870 285083205 /nfs/dbraw/zinc/08/32/05/285083205.db2.gz YCXBWYAREVEDDY-ZWKOTPCHSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1cccc(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574989390 384172983 /nfs/dbraw/zinc/17/29/83/384172983.db2.gz QCAIQGAQSCKLCF-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641707294 384277878 /nfs/dbraw/zinc/27/78/78/384277878.db2.gz IQVTTWWZAXBBGN-BBWFWOEESA-N 2 0 281.488 2.571 20 0 CFADRP CCC[C@H](C[NH+]1CCC(C[NH+](CC)CC)CC1)OC ZINC000637906281 384266729 /nfs/dbraw/zinc/26/67/29/384266729.db2.gz UEEYRGXLSJFZRD-MRXNPFEDSA-N 2 0 270.461 2.855 20 0 CFADRP CC(=O)Nc1ccccc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277502595 384321237 /nfs/dbraw/zinc/32/12/37/384321237.db2.gz OBRLOIXZNJCSEC-MRXNPFEDSA-N 2 0 289.423 2.561 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000641719806 384291404 /nfs/dbraw/zinc/29/14/04/384291404.db2.gz GOXAMMBTJIPHQB-IKGGRYGDSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000641720876 384292719 /nfs/dbraw/zinc/29/27/19/384292719.db2.gz VNCKUJLXTFNMHH-IXDOHACOSA-N 2 0 282.472 2.782 20 0 CFADRP CC[NH+](CC)CC[C@@H](CO)NCc1cc2ccccc2o1 ZINC000641773226 384338339 /nfs/dbraw/zinc/33/83/39/384338339.db2.gz WVCHNZHVDJGZQP-HNNXBMFYSA-N 2 0 290.407 2.615 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000641779328 384345705 /nfs/dbraw/zinc/34/57/05/384345705.db2.gz FSPZPGHCYTYUTL-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1CCC3(CCCC3)O1)CC[NH2+]CC2 ZINC000641798306 384364272 /nfs/dbraw/zinc/36/42/72/384364272.db2.gz FFYKZSSDBKLGGB-CVEARBPZSA-N 2 0 292.467 2.942 20 0 CFADRP CCc1nc(C)c(C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000641799257 384364303 /nfs/dbraw/zinc/36/43/03/384364303.db2.gz PKOJWIIYNBZWLL-UHFFFAOYSA-N 2 0 279.428 2.886 20 0 CFADRP Cc1ccc2ncc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cc2c1 ZINC000641801420 384369780 /nfs/dbraw/zinc/36/97/80/384369780.db2.gz QPVPUVVBDNHVRI-HZPDHXFCSA-N 2 0 269.392 2.759 20 0 CFADRP CSc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802554 384371803 /nfs/dbraw/zinc/37/18/03/384371803.db2.gz MOIHMIBSOJKURV-QWHCGFSZSA-N 2 0 250.411 2.624 20 0 CFADRP Cc1scc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000638077949 384395665 /nfs/dbraw/zinc/39/56/65/384395665.db2.gz ZCSPOJUWJUIOIM-CYBMUJFWSA-N 2 0 252.427 2.748 20 0 CFADRP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000277814425 384412860 /nfs/dbraw/zinc/41/28/60/384412860.db2.gz KSULILHJAMMDCV-KRWDZBQOSA-N 2 0 290.451 2.894 20 0 CFADRP CO[C@](C)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000638104568 384418746 /nfs/dbraw/zinc/41/87/46/384418746.db2.gz JQLQEQAYMIFCRP-DLBZAZTESA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2CCSCC2)C[C@@H]1C ZINC000638110120 384420736 /nfs/dbraw/zinc/42/07/36/384420736.db2.gz ITTCIBURAHEKRM-ZFWWWQNUSA-N 2 0 270.486 2.934 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@](C)(CC)OC)C[C@@H]1C ZINC000638108875 384422297 /nfs/dbraw/zinc/42/22/97/384422297.db2.gz BNLXGMQLDKFKHU-SOUVJXGZSA-N 2 0 256.434 2.606 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)[C@H](C)c2cnc(C)nc2C)C[C@H]1C ZINC000638111539 384424257 /nfs/dbraw/zinc/42/42/57/384424257.db2.gz UTGFOPVFFIESCG-XPKDYRNWSA-N 2 0 290.455 2.959 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC000638110709 384424555 /nfs/dbraw/zinc/42/45/55/384424555.db2.gz OVOXMBBFJFSNSD-VNQPRFMTSA-N 2 0 268.445 2.606 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2cccc(OC(F)F)c2)C[C@@H]1[NH3+] ZINC000641810212 384375290 /nfs/dbraw/zinc/37/52/90/384375290.db2.gz ZQKKPGRMUZAWKU-NWDGAFQWSA-N 2 0 270.323 2.503 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCOc2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000641810016 384375692 /nfs/dbraw/zinc/37/56/92/384375692.db2.gz ZMERGWQUNGYBQG-UONOGXRCSA-N 2 0 282.815 2.824 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])o1 ZINC000641819989 384381305 /nfs/dbraw/zinc/38/13/05/384381305.db2.gz KNNDFCZOOVKQHK-TZMCWYRMSA-N 2 0 279.428 2.885 20 0 CFADRP Cc1scc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1C ZINC000638062534 384387171 /nfs/dbraw/zinc/38/71/71/384387171.db2.gz VCXUJYLFARMLPN-UHFFFAOYSA-N 2 0 296.480 2.908 20 0 CFADRP CC[C@@](C)(C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)OC ZINC000638116808 384428978 /nfs/dbraw/zinc/42/89/78/384428978.db2.gz GXEANFHKTOFVIZ-GJZGRUSLSA-N 2 0 256.434 2.608 20 0 CFADRP C[C@@H]1C[C@H](N(C)Cc2ccnn2CC2CCC2)CC[N@@H+]1C ZINC000638117910 384430876 /nfs/dbraw/zinc/43/08/76/384430876.db2.gz UIBSSPVOSYHYCR-GDBMZVCRSA-N 2 0 290.455 2.598 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)[C@H](C)CC)C1 ZINC000638127223 384440353 /nfs/dbraw/zinc/44/03/53/384440353.db2.gz IJNXPIYBNCRVNR-PMPSAXMXSA-N 2 0 270.461 2.711 20 0 CFADRP CC[C@](C)(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC ZINC000638180274 384474630 /nfs/dbraw/zinc/47/46/30/384474630.db2.gz JVLIJKNSECFYMJ-USXIJHARSA-N 2 0 280.456 2.750 20 0 CFADRP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@H]3CCOC3)C2)cc1 ZINC000289413764 197336715 /nfs/dbraw/zinc/33/67/15/197336715.db2.gz AMFLYMXGTGHDNE-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+]C1CC(n2cccn2)C1 ZINC000638278585 384525193 /nfs/dbraw/zinc/52/51/93/384525193.db2.gz JLOGKLLSHIZQNW-UHFFFAOYSA-N 2 0 278.444 2.688 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000360967716 220318703 /nfs/dbraw/zinc/31/87/03/220318703.db2.gz CJODVXGOXMISAF-UHFFFAOYSA-N 2 0 290.451 2.874 20 0 CFADRP Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(C2CC2)n1 ZINC000268150675 384545158 /nfs/dbraw/zinc/54/51/58/384545158.db2.gz MPEKKFMUKQEXFZ-IINYFYTJSA-N 2 0 272.396 2.557 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638338107 384568391 /nfs/dbraw/zinc/56/83/91/384568391.db2.gz RHSVGISPNFMPDN-KRWDZBQOSA-N 2 0 289.467 2.833 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638339653 384570220 /nfs/dbraw/zinc/57/02/20/384570220.db2.gz HFAKPKSFPOOAMW-HOCLYGCPSA-N 2 0 282.472 2.780 20 0 CFADRP CO[C@@H](C[NH2+]CCC[N@H+](C)C(C)C)Cc1ccccc1 ZINC000638337416 384567454 /nfs/dbraw/zinc/56/74/54/384567454.db2.gz GJRPALAESXQFNK-QGZVFWFLSA-N 2 0 278.440 2.564 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638337498 384567487 /nfs/dbraw/zinc/56/74/87/384567487.db2.gz TZVMJIGQRYRTMJ-CYBMUJFWSA-N 2 0 296.480 2.504 20 0 CFADRP Cc1cnc(CNCCCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000638365978 384591678 /nfs/dbraw/zinc/59/16/78/384591678.db2.gz JOXQUWVWOFRKRH-ZDUSSCGKSA-N 2 0 265.401 2.585 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638367920 384592955 /nfs/dbraw/zinc/59/29/55/384592955.db2.gz ZISRXZFQWUEOOY-GTPINHCMSA-N 2 0 290.455 2.688 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CCC[C@H]2CCO2)C1 ZINC000638366305 384593195 /nfs/dbraw/zinc/59/31/95/384593195.db2.gz NHCRBPXVURVXTA-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000638367084 384593615 /nfs/dbraw/zinc/59/36/15/384593615.db2.gz CCURYUVNDJLTCW-SJORKVTESA-N 2 0 258.409 2.754 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CCC[C@H]1CCO1 ZINC000638366277 384593643 /nfs/dbraw/zinc/59/36/43/384593643.db2.gz MNEUHSCTRXCUIQ-HOTGVXAUSA-N 2 0 268.445 2.800 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638371257 384599119 /nfs/dbraw/zinc/59/91/19/384599119.db2.gz PCMQKKSANWSTES-UHFFFAOYSA-N 2 0 290.455 2.688 20 0 CFADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(CO)cc2)C1 ZINC000638372799 384600314 /nfs/dbraw/zinc/60/03/14/384600314.db2.gz YIPFYLTVJGMGSV-HOTGVXAUSA-N 2 0 290.451 2.637 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000643498853 384663055 /nfs/dbraw/zinc/66/30/55/384663055.db2.gz LYMUFVPNUPAZKR-KRWDZBQOSA-N 2 0 260.425 2.905 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000643499141 384665280 /nfs/dbraw/zinc/66/52/80/384665280.db2.gz XULNEUCUNRLRFM-AWEZNQCLSA-N 2 0 252.789 2.917 20 0 CFADRP CN1CCC[C@H]1C[NH2+][C@H]1CCCc2sccc21 ZINC000268810453 384665868 /nfs/dbraw/zinc/66/58/68/384665868.db2.gz NZULUGNDFQPACM-AAEUAGOBSA-N 2 0 250.411 2.809 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000680969509 542391879 /nfs/dbraw/zinc/39/18/79/542391879.db2.gz JWWILQHWEVHTLF-FVQBIDKESA-N 2 0 282.472 2.898 20 0 CFADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638450258 384668562 /nfs/dbraw/zinc/66/85/62/384668562.db2.gz CZULATXXBAFGGM-KRWDZBQOSA-N 2 0 260.425 2.859 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](Cc2ccccc2)OC)C1 ZINC000638450831 384668594 /nfs/dbraw/zinc/66/85/94/384668594.db2.gz IWVXAYDMFLCHGX-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000643503349 384671386 /nfs/dbraw/zinc/67/13/86/384671386.db2.gz AOFFWRYGSZIWIH-VHDGCEQUSA-N 2 0 261.413 2.737 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000643503678 384673590 /nfs/dbraw/zinc/67/35/90/384673590.db2.gz YSYYRTYZMHXMOP-ZUEPYMLJSA-N 2 0 274.408 2.932 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000638412390 384634115 /nfs/dbraw/zinc/63/41/15/384634115.db2.gz OWAMRRGRDHXQIS-GVDBMIGSSA-N 2 0 280.456 2.558 20 0 CFADRP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000638417995 384637898 /nfs/dbraw/zinc/63/78/98/384637898.db2.gz GYTVMDQEUAFQNW-UHFFFAOYSA-N 2 0 299.418 2.985 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000643458282 384639110 /nfs/dbraw/zinc/63/91/10/384639110.db2.gz FPEAZYXYCFXNOH-QZTJIDSGSA-N 2 0 298.434 2.681 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000643457532 384639983 /nfs/dbraw/zinc/63/99/83/384639983.db2.gz JFHZDXWDRCPXPB-GDBMZVCRSA-N 2 0 290.451 2.951 20 0 CFADRP COc1ccccc1C(C)(C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000643457624 384640365 /nfs/dbraw/zinc/64/03/65/384640365.db2.gz RDTKZISOZAMMFH-ZFWWWQNUSA-N 2 0 276.424 2.690 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460334 384642178 /nfs/dbraw/zinc/64/21/78/384642178.db2.gz RIMPXBYVDOGCQT-RVKKMQEKSA-N 2 0 283.419 2.733 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])[C@H]1CCCCO1 ZINC000643466773 384645911 /nfs/dbraw/zinc/64/59/11/384645911.db2.gz MXGYVXZZCHUPJG-RBSFLKMASA-N 2 0 268.445 2.689 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638428978 384647325 /nfs/dbraw/zinc/64/73/25/384647325.db2.gz FXMRLMBSPIOYBD-QDMKHBRRSA-N 2 0 250.430 2.887 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1ccccc1Cl ZINC000643467439 384648724 /nfs/dbraw/zinc/64/87/24/384648724.db2.gz FMMNKUZQTFIXIZ-MISXGVKJSA-N 2 0 270.804 2.743 20 0 CFADRP COc1cccc(C2([NH2+][C@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000643469076 384650382 /nfs/dbraw/zinc/65/03/82/384650382.db2.gz BFBIUURYTIEMCV-KGLIPLIRSA-N 2 0 274.408 2.662 20 0 CFADRP Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000643472247 384651793 /nfs/dbraw/zinc/65/17/93/384651793.db2.gz KZNVPODVVYFBMR-BZUAXINKSA-N 2 0 262.397 2.988 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000643474140 384652651 /nfs/dbraw/zinc/65/26/51/384652651.db2.gz GJCJSJVOJMFHEO-SOEBMCCKSA-N 2 0 282.472 2.971 20 0 CFADRP Cc1occc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643472170 384652664 /nfs/dbraw/zinc/65/26/64/384652664.db2.gz CXNFUHLMFOMIOX-AEFFLSMTSA-N 2 0 298.386 2.934 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643477980 384655365 /nfs/dbraw/zinc/65/53/65/384655365.db2.gz KLJMHZYAKOGUQU-KEYYUXOJSA-N 2 0 258.409 2.522 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000643479685 384657394 /nfs/dbraw/zinc/65/73/94/384657394.db2.gz KBXOLNVXKUJUQP-AAEUAGOBSA-N 2 0 265.426 2.561 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(CO)cc1 ZINC000643478202 384657714 /nfs/dbraw/zinc/65/77/14/384657714.db2.gz CGXAQECSYBZFNK-MAUKXSAKSA-N 2 0 290.451 2.622 20 0 CFADRP COCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000124686680 285130416 /nfs/dbraw/zinc/13/04/16/285130416.db2.gz PCLOWYWHFUIMNL-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP CC(C)C1(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000638458216 384675994 /nfs/dbraw/zinc/67/59/94/384675994.db2.gz BQVJWYSUNJRCLK-UHFFFAOYSA-N 2 0 293.499 2.571 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000643545495 384724462 /nfs/dbraw/zinc/72/44/62/384724462.db2.gz HGOKPOMTSDAEEN-INIZCTEOSA-N 2 0 278.346 2.852 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546289 384724498 /nfs/dbraw/zinc/72/44/98/384724498.db2.gz LYEWTWZLDZNTJT-STQMWFEESA-N 2 0 264.438 2.943 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(C)n1 ZINC000643545547 384724819 /nfs/dbraw/zinc/72/48/19/384724819.db2.gz XLGNUKHRZURKHS-ZDUSSCGKSA-N 2 0 259.397 2.659 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000643509287 384681205 /nfs/dbraw/zinc/68/12/05/384681205.db2.gz USOGKGWZDUWQTK-STQMWFEESA-N 2 0 252.427 2.658 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000643510398 384682475 /nfs/dbraw/zinc/68/24/75/384682475.db2.gz KGJICQMUAQYHIR-OLZOCXBDSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000643514083 384684189 /nfs/dbraw/zinc/68/41/89/384684189.db2.gz VADMISWHIBYAQQ-QWRGUYRKSA-N 2 0 258.369 2.589 20 0 CFADRP C[C@@H](Cc1cccs1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000643518177 384684864 /nfs/dbraw/zinc/68/48/64/384684864.db2.gz XEUXXGDBBBZYKL-LBPRGKRZSA-N 2 0 252.427 2.658 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643521949 384686075 /nfs/dbraw/zinc/68/60/75/384686075.db2.gz FSTIBBFJXNWHDY-QWRGUYRKSA-N 2 0 254.399 2.549 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)C1(C)C ZINC000643548956 384726562 /nfs/dbraw/zinc/72/65/62/384726562.db2.gz XXQDXJCRRKOMHS-SOUVJXGZSA-N 2 0 280.456 2.843 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000643521663 384686823 /nfs/dbraw/zinc/68/68/23/384686823.db2.gz SNHPBIUXBLEQAR-QMTHXVAHSA-N 2 0 254.324 2.758 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC1=CC[NH2+]CC1 ZINC000643520177 384687712 /nfs/dbraw/zinc/68/77/12/384687712.db2.gz XBGNKSGSARYTFR-ZDUSSCGKSA-N 2 0 250.411 2.579 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000643522246 384688313 /nfs/dbraw/zinc/68/83/13/384688313.db2.gz KKMZBQSBCLBMKB-WBMJQRKESA-N 2 0 260.381 2.510 20 0 CFADRP c1cncc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C2CCC2)c1 ZINC000643522519 384688842 /nfs/dbraw/zinc/68/88/42/384688842.db2.gz OKRGBTNSVPIBPY-CVEARBPZSA-N 2 0 259.397 2.655 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000643522245 384689136 /nfs/dbraw/zinc/68/91/36/384689136.db2.gz KKMZBQSBCLBMKB-MLGOLLRUSA-N 2 0 260.381 2.510 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C2 ZINC000643522730 384689421 /nfs/dbraw/zinc/68/94/21/384689421.db2.gz ATVFFPCXYQYMBV-IAGOWNOFSA-N 2 0 258.409 2.666 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000643524100 384691373 /nfs/dbraw/zinc/69/13/73/384691373.db2.gz ISPMLQZLZUABCH-RBSFLKMASA-N 2 0 263.360 2.531 20 0 CFADRP C1CCC(OC2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000643523267 384691720 /nfs/dbraw/zinc/69/17/20/384691720.db2.gz YXQSZCAWCSCLBY-HPUBIQBYSA-N 2 0 280.456 2.989 20 0 CFADRP CC[C@@H](NC[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000643526040 384693325 /nfs/dbraw/zinc/69/33/25/384693325.db2.gz OEMLZPWBMKXBFF-BXKDBHETSA-N 2 0 271.202 2.837 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000643524197 384694005 /nfs/dbraw/zinc/69/40/05/384694005.db2.gz VFKIXDUARPEKQG-ORQFMDKSSA-N 2 0 273.424 2.967 20 0 CFADRP CC[C@H](NC[C@H](C)[NH3+])c1cccc(Br)c1 ZINC000643526041 384694640 /nfs/dbraw/zinc/69/46/40/384694640.db2.gz OEMLZPWBMKXBFF-CABZTGNLSA-N 2 0 271.202 2.837 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000643524198 384694845 /nfs/dbraw/zinc/69/48/45/384694845.db2.gz VFKIXDUARPEKQG-SIXLDLHFSA-N 2 0 273.424 2.967 20 0 CFADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[NH3+] ZINC000643526539 384697019 /nfs/dbraw/zinc/69/70/19/384697019.db2.gz AQOZQXBEDLQOEI-VHSXEESVSA-N 2 0 260.303 2.573 20 0 CFADRP C1CC2(C1)C[C@@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC[NH2+]2 ZINC000643547784 384726885 /nfs/dbraw/zinc/72/68/85/384726885.db2.gz IXXXQVIBPHYMEP-MWDXBVQZSA-N 2 0 291.483 2.562 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000643528270 384699378 /nfs/dbraw/zinc/69/93/78/384699378.db2.gz GGSRDGYERZWNHP-DCAQKATOSA-N 2 0 263.410 2.725 20 0 CFADRP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](C)[NH3+])cc1F ZINC000643528359 384701584 /nfs/dbraw/zinc/70/15/84/384701584.db2.gz HWLSEOAUUFLMHB-ZLDLUXBVSA-N 2 0 280.387 2.797 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)s1 ZINC000643532412 384703218 /nfs/dbraw/zinc/70/32/18/384703218.db2.gz WSMGWFDBCIFLKX-RAIGVLPGSA-N 2 0 267.442 2.867 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000643529655 384703336 /nfs/dbraw/zinc/70/33/36/384703336.db2.gz JODFJNDYRXHPBZ-ZKYQVNSYSA-N 2 0 252.789 2.913 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000643529006 384704203 /nfs/dbraw/zinc/70/42/03/384704203.db2.gz SMJLSESSKSOLLX-ZLKJLUDKSA-N 2 0 252.789 2.913 20 0 CFADRP [NH3+][C@@H]1C[C@H](NC[C@@H]2[NH2+]CCc3ccccc32)c2ccccc21 ZINC000643531659 384704556 /nfs/dbraw/zinc/70/45/56/384704556.db2.gz BPLJPQXLDRDZOG-QYZOEREBSA-N 2 0 293.414 2.608 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)C1CCC(F)(F)CC1 ZINC000643534741 384707041 /nfs/dbraw/zinc/70/70/41/384707041.db2.gz BKLGRHAETLBELS-WCQYABFASA-N 2 0 272.383 2.932 20 0 CFADRP CCC[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534745 384707397 /nfs/dbraw/zinc/70/73/97/384707397.db2.gz BLQYDVCPAHMSCJ-HUUCEWRRSA-N 2 0 259.397 2.655 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccccn1 ZINC000643534746 384707619 /nfs/dbraw/zinc/70/76/19/384707619.db2.gz BLQYDVCPAHMSCJ-LSDHHAIUSA-N 2 0 259.397 2.655 20 0 CFADRP c1ccc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccn2)cc1 ZINC000643534826 384708028 /nfs/dbraw/zinc/70/80/28/384708028.db2.gz DJEGKJUGXTZWSX-QZTJIDSGSA-N 2 0 293.414 2.903 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1C(C)(C)C ZINC000643535138 384709893 /nfs/dbraw/zinc/70/98/93/384709893.db2.gz JMVBMZYUEDPBNE-DOMZBBRYSA-N 2 0 290.455 2.739 20 0 CFADRP CC(C)[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccnc1 ZINC000643536323 384710849 /nfs/dbraw/zinc/71/08/49/384710849.db2.gz SVHLUNUWLKBVLV-LSDHHAIUSA-N 2 0 259.397 2.510 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(OC)c1 ZINC000643536140 384711005 /nfs/dbraw/zinc/71/10/05/384711005.db2.gz RJDKSFMYYOAVRQ-CVEARBPZSA-N 2 0 274.408 2.878 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643536539 384711933 /nfs/dbraw/zinc/71/19/33/384711933.db2.gz UUOZMVBXCUNNHZ-GOEBONIOSA-N 2 0 290.382 2.771 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc21 ZINC000643536403 384712036 /nfs/dbraw/zinc/71/20/36/384712036.db2.gz QLCHADCNASISNP-DAXOMENPSA-N 2 0 256.393 2.967 20 0 CFADRP c1cncc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C2CCC2)c1 ZINC000643536735 384712139 /nfs/dbraw/zinc/71/21/39/384712139.db2.gz VFDAGNLJJRCGDW-CVEARBPZSA-N 2 0 271.408 2.655 20 0 CFADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC1(F)F ZINC000638602961 384775105 /nfs/dbraw/zinc/77/51/05/384775105.db2.gz GEFDCGNJLZZPRN-SDDRHHMPSA-N 2 0 262.388 2.986 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000279741928 384741843 /nfs/dbraw/zinc/74/18/43/384741843.db2.gz PBFZBOXXLCGJNC-FMKPAKJESA-N 2 0 264.413 2.692 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(F)c2N)CC1 ZINC000638562783 384741986 /nfs/dbraw/zinc/74/19/86/384741986.db2.gz BYNKMUUZZURJQR-UHFFFAOYSA-N 2 0 279.403 2.620 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638563587 384743006 /nfs/dbraw/zinc/74/30/06/384743006.db2.gz PCQCULJVHKIZGI-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP CO[C@@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)C1CC1 ZINC000638566518 384745655 /nfs/dbraw/zinc/74/56/55/384745655.db2.gz KUHFJVOGKLCMMS-ZBFHGGJFSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)OC ZINC000638566527 384746095 /nfs/dbraw/zinc/74/60/95/384746095.db2.gz LCPKUMUXKXUOQL-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP C[NH+](C)Cc1cc(C[NH2+]CCC[C@@H]2CCO2)ccc1F ZINC000638634253 384798643 /nfs/dbraw/zinc/79/86/43/384798643.db2.gz KIQXAJSJBGHESW-OAHLLOKOSA-N 2 0 280.387 2.546 20 0 CFADRP CC[C@](C)(C[NH2+]CCC[NH+](C(C)C)C(C)C)OC ZINC000638733248 384875938 /nfs/dbraw/zinc/87/59/38/384875938.db2.gz GXLKZWISWWHKDG-OAHLLOKOSA-N 2 0 258.450 2.900 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH+](C)C)cc1OC ZINC000280088859 384880254 /nfs/dbraw/zinc/88/02/54/384880254.db2.gz YYPUYFROWIPAPY-KGLIPLIRSA-N 2 0 294.439 2.737 20 0 CFADRP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000269956596 384918596 /nfs/dbraw/zinc/91/85/96/384918596.db2.gz KNUONUCIUKBLHK-CVEARBPZSA-N 2 0 298.434 2.561 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000638787811 384919378 /nfs/dbraw/zinc/91/93/78/384919378.db2.gz GTIZKBNYKIZEDJ-ZNMIVQPWSA-N 2 0 270.486 2.838 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638838922 384972146 /nfs/dbraw/zinc/97/21/46/384972146.db2.gz SJIXCATVVUMOAT-HZPDHXFCSA-N 2 0 292.467 2.964 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638850336 384984368 /nfs/dbraw/zinc/98/43/68/384984368.db2.gz DIMZSFNXLSJLMS-PBHICJAKSA-N 2 0 278.440 2.899 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]Cc1cccc(C[NH+](C)C)c1)OC ZINC000638850339 384985267 /nfs/dbraw/zinc/98/52/67/384985267.db2.gz DIMZSFNXLSJLMS-YOEHRIQHSA-N 2 0 278.440 2.899 20 0 CFADRP Cc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)sn1 ZINC000638851519 384986375 /nfs/dbraw/zinc/98/63/75/384986375.db2.gz NKXFSPMJWIQCDX-UHFFFAOYSA-N 2 0 275.421 2.803 20 0 CFADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000337457388 285148430 /nfs/dbraw/zinc/14/84/30/285148430.db2.gz JMSGYBYCXQFXEA-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000270491362 385122138 /nfs/dbraw/zinc/12/21/38/385122138.db2.gz LXXCCDNDSBXBEC-HNNXBMFYSA-N 2 0 290.451 2.952 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(CO)c1 ZINC000270526844 385133345 /nfs/dbraw/zinc/13/33/45/385133345.db2.gz SZROLRCAUYNRLG-XKQJLSEDSA-N 2 0 276.424 2.702 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)[C@@H]1CC1(F)F ZINC000639107558 385200881 /nfs/dbraw/zinc/20/08/81/385200881.db2.gz SBFHOYLXGCWYCZ-DRZSPHRISA-N 2 0 258.356 2.637 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)C1CCCCC1 ZINC000645132476 385206479 /nfs/dbraw/zinc/20/64/79/385206479.db2.gz FZCJQUSPQDKHNP-CWRNSKLLSA-N 2 0 250.430 2.696 20 0 CFADRP CC(C)C1(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000639117192 385214530 /nfs/dbraw/zinc/21/45/30/385214530.db2.gz FWQWJKSOOFKVLT-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)OC ZINC000639108804 385203103 /nfs/dbraw/zinc/20/31/03/385203103.db2.gz LLSBEFPJJJBXFX-CZUORRHYSA-N 2 0 268.445 2.512 20 0 CFADRP COc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)ccc1SC ZINC000423195733 533112850 /nfs/dbraw/zinc/11/28/50/533112850.db2.gz ZWDWESDORHPLKD-LLVKDONJSA-N 2 0 280.437 2.820 20 0 CFADRP C[N@H+](CC1CCSCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639162375 385266107 /nfs/dbraw/zinc/26/61/07/385266107.db2.gz NZIXBVXELMDJDH-YIONKMFJSA-N 2 0 268.470 2.687 20 0 CFADRP CO[C@@H](C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000639177324 385287522 /nfs/dbraw/zinc/28/75/22/385287522.db2.gz RTSLZAVUZXMTES-ROUUACIJSA-N 2 0 294.483 2.855 20 0 CFADRP CO[C@@H](C)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282532931 385335599 /nfs/dbraw/zinc/33/55/99/385335599.db2.gz QPKGZNYEYOKGJZ-DOTOQJQBSA-N 2 0 290.451 2.912 20 0 CFADRP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCC[NH+](C)C ZINC000282636518 385358848 /nfs/dbraw/zinc/35/88/48/385358848.db2.gz KVNCPCXVTQGLSK-GFCCVEGCSA-N 2 0 254.805 2.812 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C(C)(C)CCC[NH+](C)C)OC ZINC000639231833 385360253 /nfs/dbraw/zinc/36/02/53/385360253.db2.gz TZPVYDKZWLGHIP-ZIAGYGMSSA-N 2 0 258.450 2.758 20 0 CFADRP C[N@@H+](Cc1cccc2cc[nH]c21)CC1CC[NH+](C)CC1 ZINC000271185574 385367752 /nfs/dbraw/zinc/36/77/52/385367752.db2.gz ZUYFMMLTHAAETB-UHFFFAOYSA-N 2 0 271.408 2.942 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000639256884 385386316 /nfs/dbraw/zinc/38/63/16/385386316.db2.gz GSNXYBSJJZJOIZ-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CO[C@@H](C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000639256886 385386633 /nfs/dbraw/zinc/38/66/33/385386633.db2.gz GSNXYBSJJZJOIZ-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP Cn1c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000639257615 385387082 /nfs/dbraw/zinc/38/70/82/385387082.db2.gz PPQDPVKPWPFZID-HNNXBMFYSA-N 2 0 285.435 3.000 20 0 CFADRP CO[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CCCC1 ZINC000639256999 385387106 /nfs/dbraw/zinc/38/71/06/385387106.db2.gz OYRUBUMRASZTEJ-INIZCTEOSA-N 2 0 273.380 2.629 20 0 CFADRP C[N@@H+]1C[C@@H](CNCc2ccns2)[C@H](c2ccccc2)C1 ZINC000639287254 385415075 /nfs/dbraw/zinc/41/50/75/385415075.db2.gz YCBAAHUUWGTJPH-ZBFHGGJFSA-N 2 0 287.432 2.578 20 0 CFADRP CC[C@@](C)(C[NH2+][C@@H]1CCN(C2CCCCC2)C1)OC ZINC000639322979 385449555 /nfs/dbraw/zinc/44/95/55/385449555.db2.gz YAGSLDMUKNBLSI-ZBFHGGJFSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCN1C(C)(C)C)OC ZINC000639303487 385430614 /nfs/dbraw/zinc/43/06/14/385430614.db2.gz RDLYKAYZTLOUHE-MELADBBJSA-N 2 0 256.434 2.510 20 0 CFADRP CN1CC(C[N@H+](C)Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639309932 385436230 /nfs/dbraw/zinc/43/62/30/385436230.db2.gz PBQZFAHXETUMCV-UHFFFAOYSA-N 2 0 291.345 2.506 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C[NH+]1CCCC1 ZINC000121323790 412999743 /nfs/dbraw/zinc/99/97/43/412999743.db2.gz RNDWFRQCPZAYBJ-NXOAAHMSSA-N 2 0 292.467 2.656 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCN1C1CCCC1)OC ZINC000639351401 385474193 /nfs/dbraw/zinc/47/41/93/385474193.db2.gz FWGSNFSTOADAIM-NUEKZKHPSA-N 2 0 268.445 2.654 20 0 CFADRP c1cc(N2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cc[nH+]1 ZINC000639361135 385481660 /nfs/dbraw/zinc/48/16/60/385481660.db2.gz SIVXHTAPNLINBD-MRXNPFEDSA-N 2 0 271.408 2.973 20 0 CFADRP C[C@@H]([NH2+]CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272241294 385484914 /nfs/dbraw/zinc/48/49/14/385484914.db2.gz WPGVMYIVGGRCSD-RHSMWYFYSA-N 2 0 258.409 2.897 20 0 CFADRP CCOC1CC(C[NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000639335565 385461680 /nfs/dbraw/zinc/46/16/80/385461680.db2.gz UGINZIMKGZDRTJ-UHFFFAOYSA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@](C)(C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000639338048 385464408 /nfs/dbraw/zinc/46/44/08/385464408.db2.gz RURCZLCCLJZETP-NVXWUHKLSA-N 2 0 280.456 2.513 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC000639378408 385495454 /nfs/dbraw/zinc/49/54/54/385495454.db2.gz PZNMTTJAUPMRJP-MRXNPFEDSA-N 2 0 282.472 2.998 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000284055475 385528773 /nfs/dbraw/zinc/52/87/73/385528773.db2.gz KNKYLROGQKOSBR-DYVFJYSZSA-N 2 0 286.419 2.844 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121695548 413001678 /nfs/dbraw/zinc/00/16/78/413001678.db2.gz LJJKHRIATZPHOC-ULQDDVLXSA-N 2 0 292.467 2.656 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639453314 385538321 /nfs/dbraw/zinc/53/83/21/385538321.db2.gz XJOYUXHXVYKORE-INIZCTEOSA-N 2 0 282.472 2.855 20 0 CFADRP CC1(C)CO[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000639452993 385538500 /nfs/dbraw/zinc/53/85/00/385538500.db2.gz VSRUFDZBRZOFRQ-MRXNPFEDSA-N 2 0 280.456 2.609 20 0 CFADRP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369215241 285177387 /nfs/dbraw/zinc/17/73/87/285177387.db2.gz OGBLLSKEKGVZCU-VXLLPVPCSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000272514084 385556720 /nfs/dbraw/zinc/55/67/20/385556720.db2.gz ICRSWQXADOWXHZ-UHFFFAOYSA-N 2 0 299.418 2.762 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000286205109 385571879 /nfs/dbraw/zinc/57/18/79/385571879.db2.gz RVUDAGXMZUDUHN-AEFFLSMTSA-N 2 0 289.467 2.672 20 0 CFADRP COCC1(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CCC1 ZINC000423133456 533130818 /nfs/dbraw/zinc/13/08/18/533130818.db2.gz KPOJCIDEOVJOAJ-CYBMUJFWSA-N 2 0 291.439 2.706 20 0 CFADRP CC[C@H]1CN(Cc2ccccc2OC(F)F)CC[C@@H]1[NH3+] ZINC000122271472 413004416 /nfs/dbraw/zinc/00/44/16/413004416.db2.gz JRILLEKNTSMUST-AAEUAGOBSA-N 2 0 284.350 2.847 20 0 CFADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000272773517 385611389 /nfs/dbraw/zinc/61/13/89/385611389.db2.gz SYXHKADZNAXBTR-ROUUACIJSA-N 2 0 288.435 2.531 20 0 CFADRP Fc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639681432 385659614 /nfs/dbraw/zinc/65/96/14/385659614.db2.gz NWZXVTODYCPNQS-UHFFFAOYSA-N 2 0 285.366 2.933 20 0 CFADRP CC1(C)CC[C@@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000639701816 385673264 /nfs/dbraw/zinc/67/32/64/385673264.db2.gz CCZQCLUKCUVWNI-INIZCTEOSA-N 2 0 289.423 2.551 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000639757962 385697609 /nfs/dbraw/zinc/69/76/09/385697609.db2.gz QPEGLCRKOQCPKI-UHFFFAOYSA-N 2 0 294.389 2.925 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757999 385697975 /nfs/dbraw/zinc/69/79/75/385697975.db2.gz QSSXVIQGKNZWRG-AWEZNQCLSA-N 2 0 259.397 2.560 20 0 CFADRP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760345 385699414 /nfs/dbraw/zinc/69/94/14/385699414.db2.gz VQQYOJGYUHGXSL-IRXDYDNUSA-N 2 0 294.483 2.999 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCCn2ccnc2)CC1 ZINC000639985584 385804969 /nfs/dbraw/zinc/80/49/69/385804969.db2.gz AVYQLTFCFBEOIN-UHFFFAOYSA-N 3 0 290.455 2.614 20 0 CFADRP Cc1ncc([C@H](C)NCC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000639995359 385812596 /nfs/dbraw/zinc/81/25/96/385812596.db2.gz UWYIGEGRFXIPSM-AAEUAGOBSA-N 2 0 267.442 2.977 20 0 CFADRP CC/C=C\CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000681024405 542401103 /nfs/dbraw/zinc/40/11/03/542401103.db2.gz PVLVKLGAHFDFAA-WAYWQWQTSA-N 2 0 293.499 2.833 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccsc1 ZINC000275167909 385949318 /nfs/dbraw/zinc/94/93/18/385949318.db2.gz TXUQOCKCIIFFNJ-ZDUSSCGKSA-N 2 0 254.443 2.953 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423116611 533162097 /nfs/dbraw/zinc/16/20/97/533162097.db2.gz QPTUVYCFUBIHKO-FFSVYQOJSA-N 2 0 292.398 2.799 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000423261187 533168009 /nfs/dbraw/zinc/16/80/09/533168009.db2.gz RPRLAXAWRQEIIH-UONOGXRCSA-N 2 0 292.423 2.744 20 0 CFADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCC[NH3+])cc1 ZINC000423335956 533189128 /nfs/dbraw/zinc/18/91/28/533189128.db2.gz UKIUMBHOZZHCIB-SFHVURJKSA-N 2 0 299.418 2.703 20 0 CFADRP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000093452839 184677070 /nfs/dbraw/zinc/67/70/70/184677070.db2.gz QMUQXGUTSLEINW-ZNMIVQPWSA-N 2 0 264.438 2.801 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000423282505 533222030 /nfs/dbraw/zinc/22/20/30/533222030.db2.gz VGCGUSSNDDPPPD-COPLHBTASA-N 2 0 297.830 2.912 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682131932 542524120 /nfs/dbraw/zinc/52/41/20/542524120.db2.gz MWNQKIBYUZVTHH-XJKSGUPXSA-N 2 0 262.397 2.515 20 0 CFADRP CCc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000682085601 542520562 /nfs/dbraw/zinc/52/05/62/542520562.db2.gz XKQVTKDUKOLZRY-UHFFFAOYSA-N 2 0 281.403 2.966 20 0 CFADRP C[C@@H](CC[NH2+]Cc1ccc(O)cc1)[NH+]1CCCCC1 ZINC000682406205 542549039 /nfs/dbraw/zinc/54/90/39/542549039.db2.gz DZHIKBMWZVICKI-AWEZNQCLSA-N 2 0 262.397 2.746 20 0 CFADRP C[C@@H]1[C@H](C)SCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000133033024 413041352 /nfs/dbraw/zinc/04/13/52/413041352.db2.gz ZFYZNBBZYPMRHQ-OLZOCXBDSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000020200472 542571013 /nfs/dbraw/zinc/57/10/13/542571013.db2.gz ZETMWRJWFCFMPK-AWEZNQCLSA-N 2 0 295.496 2.733 20 0 CFADRP C1COC2(C1)CCC([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000682640921 542574844 /nfs/dbraw/zinc/57/48/44/542574844.db2.gz PQOAPASVWWDSJZ-YZUHTNEWSA-N 2 0 278.440 2.695 20 0 CFADRP COC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000157887416 285399291 /nfs/dbraw/zinc/39/92/91/285399291.db2.gz NBAMCDMUXYHRNE-CVEARBPZSA-N 2 0 270.461 2.902 20 0 CFADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904423 533280664 /nfs/dbraw/zinc/28/06/64/533280664.db2.gz LHZTYGILIZXJFZ-SJORKVTESA-N 2 0 294.414 2.505 20 0 CFADRP COc1ccc2cc(C[NH2+][C@H](C)CC[NH3+])ccc2c1 ZINC000414873832 533332278 /nfs/dbraw/zinc/33/22/78/533332278.db2.gz AAKPWVQZVKTEOL-GFCCVEGCSA-N 2 0 258.365 2.675 20 0 CFADRP C[C@@H]([NH2+]CCCSc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422766919 533387788 /nfs/dbraw/zinc/38/77/88/533387788.db2.gz RMXMJLPFFXOJFS-LLVKDONJSA-N 2 0 268.401 2.505 20 0 CFADRP COc1ccc2oc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)cc2c1 ZINC000414858869 533355281 /nfs/dbraw/zinc/35/52/81/533355281.db2.gz SSFPYBFDSVWOES-QWHCGFSZSA-N 2 0 288.391 2.919 20 0 CFADRP C[C@@H]([NH2+]CC1(Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000422927366 533359091 /nfs/dbraw/zinc/35/90/91/533359091.db2.gz GIZXPRUBRQJTGY-CQSZACIVSA-N 2 0 258.409 2.597 20 0 CFADRP C[C@@H]([NH2+]CC1C[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000423328129 533370211 /nfs/dbraw/zinc/37/02/11/533370211.db2.gz SCKFFRQSLPDOLR-GHMZBOCLSA-N 2 0 252.789 2.641 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414771605 533386546 /nfs/dbraw/zinc/38/65/46/533386546.db2.gz AAXWEFOQDWRVJW-CVEARBPZSA-N 2 0 288.435 2.825 20 0 CFADRP C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422730195 533323290 /nfs/dbraw/zinc/32/32/90/533323290.db2.gz LTFNEADXZOZOFX-VYDXJSESSA-N 2 0 289.467 2.846 20 0 CFADRP C[C@@H]([NH2+]C1(Cc2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000423154629 533328209 /nfs/dbraw/zinc/32/82/09/533328209.db2.gz JVIHGCWQAOBPCE-LLVKDONJSA-N 2 0 264.800 2.613 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[NH2+]1 ZINC000422832797 533404544 /nfs/dbraw/zinc/40/45/44/533404544.db2.gz FYVKVSLRYRZDIO-MLGOLLRUSA-N 2 0 289.398 2.970 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1C[C@H]1C ZINC000414080032 533456912 /nfs/dbraw/zinc/45/69/12/533456912.db2.gz UFGPWRXIPRKEOL-CPUCHLNUSA-N 2 0 276.424 2.761 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423111809 533418059 /nfs/dbraw/zinc/41/80/59/533418059.db2.gz JIFOUSNUXZCQLG-UPJWGTAASA-N 2 0 260.372 2.932 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cnc2ccsc2c1 ZINC000423203663 533419059 /nfs/dbraw/zinc/41/90/59/533419059.db2.gz CTDZRYMQVCHQMD-VXGBXAGGSA-N 2 0 275.421 2.947 20 0 CFADRP C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422729176 533426331 /nfs/dbraw/zinc/42/63/31/533426331.db2.gz BLCJDVOWCAAOJO-CKEIUWERSA-N 2 0 290.455 2.655 20 0 CFADRP C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422728598 533427398 /nfs/dbraw/zinc/42/73/98/533427398.db2.gz AIQUQJVDSBQIQE-WCXIOVBPSA-N 2 0 281.488 2.617 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422909909 533435560 /nfs/dbraw/zinc/43/55/60/533435560.db2.gz PKMNIWXOKNNMPK-FRFSOERESA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(-n2ccnc2)cc1 ZINC000423344854 533438154 /nfs/dbraw/zinc/43/81/54/533438154.db2.gz YJSOZWYKULCVPN-CRAIPNDOSA-N 2 0 298.434 2.913 20 0 CFADRP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC000414852401 533441585 /nfs/dbraw/zinc/44/15/85/533441585.db2.gz JYLMBWRFPBMYDG-TZMCWYRMSA-N 2 0 258.365 2.911 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414832657 533520768 /nfs/dbraw/zinc/52/07/68/533520768.db2.gz FKHWVCUUSDSHAC-WDEREUQCSA-N 2 0 252.324 2.697 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414832656 533521455 /nfs/dbraw/zinc/52/14/55/533521455.db2.gz FKHWVCUUSDSHAC-QWRGUYRKSA-N 2 0 252.324 2.697 20 0 CFADRP COc1ccc(CCC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422744669 533475526 /nfs/dbraw/zinc/47/55/26/533475526.db2.gz WKPSRBJGAUAWRI-IAGOWNOFSA-N 2 0 276.424 2.877 20 0 CFADRP COc1ccc(CCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422728963 533476392 /nfs/dbraw/zinc/47/63/92/533476392.db2.gz BCUUYJODGIIWCP-RDJZCZTQSA-N 2 0 276.424 2.735 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(NC(=O)C2CC2)cc1 ZINC000422813506 533496886 /nfs/dbraw/zinc/49/68/86/533496886.db2.gz ZIYBOSZKNWGQAR-QWHCGFSZSA-N 2 0 289.423 2.813 20 0 CFADRP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]CC1C[NH2+]C1 ZINC000423305809 533499240 /nfs/dbraw/zinc/49/92/40/533499240.db2.gz RRAMCDWPFLMQRK-ORVZXPRGSA-N 2 0 262.441 2.790 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@H]1CCC[NH2+]C1 ZINC000423204937 533505897 /nfs/dbraw/zinc/50/58/97/533505897.db2.gz AVWWLYUPCUIJSM-ILXRZTDVSA-N 2 0 275.440 2.791 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])cc1O ZINC000415018246 533507906 /nfs/dbraw/zinc/50/79/06/533507906.db2.gz UDRSTPNNERXGMN-ZIAGYGMSSA-N 2 0 294.439 2.829 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414828505 533512507 /nfs/dbraw/zinc/51/25/07/533512507.db2.gz ZZQLWUCLVAVPSD-ZOBUZTSGSA-N 2 0 290.451 2.994 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414884422 533580277 /nfs/dbraw/zinc/58/02/77/533580277.db2.gz OBQHMOBNFNXLGN-JTQLQIEISA-N 2 0 263.772 2.715 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414877942 533580533 /nfs/dbraw/zinc/58/05/33/533580533.db2.gz GPUGLROYILDKIK-JTQLQIEISA-N 2 0 263.772 2.715 20 0 CFADRP C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422812629 533537582 /nfs/dbraw/zinc/53/75/82/533537582.db2.gz YAGNPPGVNVXUAT-BPQIPLTHSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422964665 533537828 /nfs/dbraw/zinc/53/78/28/533537828.db2.gz MIMAOVWPINPSJJ-HOTGVXAUSA-N 2 0 293.455 2.914 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000423238355 533540168 /nfs/dbraw/zinc/54/01/68/533540168.db2.gz ABCIDZVBEVPXPW-KBXCAEBGSA-N 2 0 288.435 2.606 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)C2CC2)c1 ZINC000423282401 533540733 /nfs/dbraw/zinc/54/07/33/533540733.db2.gz VYWXJZRUIZFDHL-DLBZAZTESA-N 2 0 276.424 2.589 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1)C1C[NH2+]C1 ZINC000422775148 533541992 /nfs/dbraw/zinc/54/19/92/533541992.db2.gz AIOTUOXQMFZREU-OCCSQVGLSA-N 2 0 293.842 2.506 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422964201 533554486 /nfs/dbraw/zinc/55/44/86/533554486.db2.gz KREYMFLHMWZGHK-ZDUSSCGKSA-N 2 0 277.412 2.620 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000422955224 533554992 /nfs/dbraw/zinc/55/49/92/533554992.db2.gz IZBPRXHIADCAHT-IUCAKERBSA-N 2 0 260.303 2.882 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423121471 533555165 /nfs/dbraw/zinc/55/51/65/533555165.db2.gz IKXYEUSAGHEPIQ-KBPBESRZSA-N 2 0 272.396 2.650 20 0 CFADRP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423254486 533652684 /nfs/dbraw/zinc/65/26/84/533652684.db2.gz YEJAMGGWCBIKLH-QWHCGFSZSA-N 2 0 282.378 2.875 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423345910 533668964 /nfs/dbraw/zinc/66/89/64/533668964.db2.gz ONDGUWMRKCLBHU-ZDUSSCGKSA-N 2 0 262.372 2.656 20 0 CFADRP CC(C)(C)OCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000682761492 542588310 /nfs/dbraw/zinc/58/83/10/542588310.db2.gz MJDXXCGDAOFVJA-UHFFFAOYSA-N 2 0 291.439 2.799 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCCF)CC1 ZINC000341876257 130102916 /nfs/dbraw/zinc/10/29/16/130102916.db2.gz YSXQGTUKDMCFDC-IAGOWNOFSA-N 2 0 299.478 2.617 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191648860 130269260 /nfs/dbraw/zinc/26/92/60/130269260.db2.gz ICWACEDHBRUETQ-QGZVFWFLSA-N 2 0 273.424 2.745 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)C[C@@H]21 ZINC000342113954 130271071 /nfs/dbraw/zinc/27/10/71/130271071.db2.gz WKJKULYXDFUGGB-VHDGCEQUSA-N 2 0 296.361 2.847 20 0 CFADRP O[C@H](C[NH2+]C1CCC2(CCCCC2)CC1)C[NH+]1CCCC1 ZINC000342126375 130283609 /nfs/dbraw/zinc/28/36/09/130283609.db2.gz JHYSVIBPVKFWRQ-QGZVFWFLSA-N 2 0 294.483 2.926 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C)ccn2)[C@@H](C)C1 ZINC000683018174 542628820 /nfs/dbraw/zinc/62/88/20/542628820.db2.gz ZRJWLOCHCZRNTL-HOCLYGCPSA-N 2 0 261.413 2.552 20 0 CFADRP Cc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)c[nH]c21 ZINC000164418501 130322227 /nfs/dbraw/zinc/32/22/27/130322227.db2.gz XKWKHXZQSDSCEK-YOEHRIQHSA-N 2 0 285.435 2.949 20 0 CFADRP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)[nH]1 ZINC000683108788 542640560 /nfs/dbraw/zinc/64/05/60/542640560.db2.gz DEMADFSQAZAWMT-RWMBFGLXSA-N 2 0 293.459 2.699 20 0 CFADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000683142162 542645156 /nfs/dbraw/zinc/64/51/56/542645156.db2.gz KFQKTFBLFXNCRL-IRXDYDNUSA-N 2 0 290.451 2.648 20 0 CFADRP COc1cccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000227327947 130840068 /nfs/dbraw/zinc/84/00/68/130840068.db2.gz WTOHUZXCUXAFOL-UHFFFAOYSA-N 2 0 262.397 2.517 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237051009 131000691 /nfs/dbraw/zinc/00/06/91/131000691.db2.gz XUCZPDXHXLLULZ-HUUCEWRRSA-N 2 0 289.423 2.513 20 0 CFADRP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414831623 285479218 /nfs/dbraw/zinc/47/92/18/285479218.db2.gz NHINWQOVBUZICT-SQNIBIBYSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246868277 131098480 /nfs/dbraw/zinc/09/84/80/131098480.db2.gz CUKAEZHAESSBOI-ONIAQPFYSA-N 2 0 290.451 2.613 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1F ZINC000247889319 131107952 /nfs/dbraw/zinc/10/79/52/131107952.db2.gz DTGJNTHTJJQGRM-DVOMOZLQSA-N 2 0 264.388 2.952 20 0 CFADRP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1F ZINC000247889322 131108222 /nfs/dbraw/zinc/10/82/22/131108222.db2.gz DTGJNTHTJJQGRM-XJKCOSOUSA-N 2 0 264.388 2.952 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000249119936 131120120 /nfs/dbraw/zinc/12/01/20/131120120.db2.gz PKHIKUNSGAWYKH-KGLIPLIRSA-N 2 0 264.388 2.688 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2OC)C1 ZINC000249371139 131120842 /nfs/dbraw/zinc/12/08/42/131120842.db2.gz BKSFCRPFTUHCSX-HUUCEWRRSA-N 2 0 276.424 2.996 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000249371096 131120849 /nfs/dbraw/zinc/12/08/49/131120849.db2.gz BEDKIEAJRUWOFF-CHWSQXEVSA-N 2 0 250.361 2.818 20 0 CFADRP Fc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250105420 131123915 /nfs/dbraw/zinc/12/39/15/131123915.db2.gz DDNRPQRMLPLOEU-CVEARBPZSA-N 2 0 262.372 2.585 20 0 CFADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3CCC3)CC2)C[C@H](C)O1 ZINC000177506772 413053240 /nfs/dbraw/zinc/05/32/40/413053240.db2.gz RBVJMNBHUGRUIH-IYBDPMFKSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1ccc(C2=CC[NH2+]C2)c(C[NH+]2CCCCC2)c1 ZINC001243114415 781995681 /nfs/dbraw/zinc/99/56/81/781995681.db2.gz BWHSMUVZDUXSLL-UHFFFAOYSA-N 2 0 256.393 2.968 20 0 CFADRP CSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268707681 132053901 /nfs/dbraw/zinc/05/39/01/132053901.db2.gz ITKRMFBDPGTCBY-HOCLYGCPSA-N 2 0 278.465 2.850 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)C[NH+](C)C ZINC000268717517 132054959 /nfs/dbraw/zinc/05/49/59/132054959.db2.gz GYTWMPPOHWWGFB-HNNXBMFYSA-N 2 0 276.424 2.860 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000268826953 132072516 /nfs/dbraw/zinc/07/25/16/132072516.db2.gz URMZFVLUALHOBH-HOTGVXAUSA-N 2 0 290.451 2.912 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000268873942 132081108 /nfs/dbraw/zinc/08/11/08/132081108.db2.gz DIWPZMLOKDNPGH-UKRRQHHQSA-N 2 0 292.423 2.839 20 0 CFADRP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268902339 132085784 /nfs/dbraw/zinc/08/57/84/132085784.db2.gz QKPADOWTBGOKEN-RYQLBKOJSA-N 2 0 290.451 2.648 20 0 CFADRP CC[C@H](C)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000268909171 132086742 /nfs/dbraw/zinc/08/67/42/132086742.db2.gz STXWCODHHLXJHV-AWEZNQCLSA-N 2 0 264.413 2.558 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)nc21 ZINC000268920811 132088535 /nfs/dbraw/zinc/08/85/35/132088535.db2.gz KDFRDKNWXHYMLO-ZIAGYGMSSA-N 2 0 287.407 2.751 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000684111653 542766788 /nfs/dbraw/zinc/76/67/88/542766788.db2.gz AWLJUJCAJCWHMO-HZPDHXFCSA-N 2 0 292.471 2.766 20 0 CFADRP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)C[NH3+])CCCO2 ZINC000423300431 292010428 /nfs/dbraw/zinc/01/04/28/292010428.db2.gz RPKCHIAJLPPRLG-IAQYHMDHSA-N 2 0 262.397 2.702 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1C ZINC000401009250 296486591 /nfs/dbraw/zinc/48/65/91/296486591.db2.gz GDQLQQGXGRHXKQ-SJJUBHFPSA-N 2 0 250.430 2.789 20 0 CFADRP CC[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@@H]1[NH3+] ZINC000299976396 393464864 /nfs/dbraw/zinc/46/48/64/393464864.db2.gz CUWDCMHKXNMXFJ-KFWWJZLASA-N 2 0 266.429 2.537 20 0 CFADRP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375446880 393507793 /nfs/dbraw/zinc/50/77/93/393507793.db2.gz XYQFEURZNVWCLB-DJIMGWMZSA-N 2 0 276.424 2.694 20 0 CFADRP CO[C@H](C)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000182235421 393508107 /nfs/dbraw/zinc/50/81/07/393508107.db2.gz GDNYZTAUWKNFTP-HZPDHXFCSA-N 2 0 282.472 2.998 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309850585 393516699 /nfs/dbraw/zinc/51/66/99/393516699.db2.gz ZZISUTYYMLAPLH-MSOLQXFVSA-N 2 0 288.435 2.667 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000379021226 393550030 /nfs/dbraw/zinc/55/00/30/393550030.db2.gz BEHZATUXTWRCHN-ROUUACIJSA-N 2 0 288.435 2.838 20 0 CFADRP FC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000684374850 542795707 /nfs/dbraw/zinc/79/57/07/542795707.db2.gz XWDVAPBBSPRWGA-INIZCTEOSA-N 2 0 276.399 2.990 20 0 CFADRP CC(C)[NH2+]CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000191478595 393595521 /nfs/dbraw/zinc/59/55/21/393595521.db2.gz RYPYAVFVGDSOTK-KRWDZBQOSA-N 2 0 281.488 2.572 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401861291 393605531 /nfs/dbraw/zinc/60/55/31/393605531.db2.gz IFOAAXFBEPVRSZ-PBHICJAKSA-N 2 0 276.424 2.795 20 0 CFADRP CC(C)[NH2+][C@H]1CCCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000386643715 393588100 /nfs/dbraw/zinc/58/81/00/393588100.db2.gz ALWORVYZROJWFY-SFHVURJKSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000401923689 393607538 /nfs/dbraw/zinc/60/75/38/393607538.db2.gz PQPVJYOQAFFKIN-INMHGKMJSA-N 2 0 276.424 2.664 20 0 CFADRP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000388236729 393591722 /nfs/dbraw/zinc/59/17/22/393591722.db2.gz SRHRQZCWFDDFIU-MRXNPFEDSA-N 2 0 297.446 2.738 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000684556908 542825968 /nfs/dbraw/zinc/82/59/68/542825968.db2.gz PFWUOKHIMNSFGD-FUHWJXTLSA-N 2 0 290.451 2.649 20 0 CFADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335543010 393677049 /nfs/dbraw/zinc/67/70/49/393677049.db2.gz KNAMLYSTPAIZKM-IRXDYDNUSA-N 2 0 274.408 2.557 20 0 CFADRP Cc1cc(N2CC[NH+](C3CC3)CC2)c2ccccc2[nH+]1 ZINC000049390388 393612404 /nfs/dbraw/zinc/61/24/04/393612404.db2.gz CPDGLXBTHKDTPN-UHFFFAOYSA-N 2 0 267.376 2.828 20 0 CFADRP C[C@@H]1COCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000192131554 393614075 /nfs/dbraw/zinc/61/40/75/393614075.db2.gz NSZUUBYAQLUDFY-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699384 393616546 /nfs/dbraw/zinc/61/65/46/393616546.db2.gz LMVMEMZTXFUAPN-YHOLWWCESA-N 3 0 293.499 2.889 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000051692960 393617521 /nfs/dbraw/zinc/61/75/21/393617521.db2.gz HVBBCYGYBOHASD-UHFFFAOYSA-N 2 0 288.313 2.945 20 0 CFADRP CSc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000051692675 393617540 /nfs/dbraw/zinc/61/75/40/393617540.db2.gz TXVRTJYCYQWMRN-UHFFFAOYSA-N 2 0 250.411 2.768 20 0 CFADRP [NH3+]C1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000051692890 393617584 /nfs/dbraw/zinc/61/75/84/393617584.db2.gz JKUVQPYRLCPLLG-UHFFFAOYSA-N 2 0 287.451 2.511 20 0 CFADRP c1nc(CNCc2ccc(C[NH+]3CCCC3)cc2)co1 ZINC000192281677 393620070 /nfs/dbraw/zinc/62/00/70/393620070.db2.gz GTMRQZJMRLPULV-UHFFFAOYSA-N 2 0 271.364 2.560 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)C[C@@H]1[NH3+] ZINC000404844020 393621745 /nfs/dbraw/zinc/62/17/45/393621745.db2.gz CTRCQKJBZXJUMB-NWDGAFQWSA-N 2 0 270.323 2.503 20 0 CFADRP COCCCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075859929 393681791 /nfs/dbraw/zinc/68/17/91/393681791.db2.gz KBUQAFLFVUDLIM-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP Cc1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192706250 393630169 /nfs/dbraw/zinc/63/01/69/393630169.db2.gz VTKLMVVZPBCZEM-RHSMWYFYSA-N 2 0 271.408 2.843 20 0 CFADRP Cc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000193599231 393656965 /nfs/dbraw/zinc/65/69/65/393656965.db2.gz ZPVHCOOUEPOATF-IYBDPMFKSA-N 2 0 258.409 2.605 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CN1C1CC1 ZINC000194073406 393676163 /nfs/dbraw/zinc/67/61/63/393676163.db2.gz YSSWXBIVLNFBPP-IMPMIVQMSA-N 2 0 290.451 2.549 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000336440358 393735295 /nfs/dbraw/zinc/73/52/95/393735295.db2.gz FHUXMDLTRQZJOY-YPMHNXCESA-N 2 0 260.372 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(C)Cc2ccccc2C1 ZINC000336440187 393735376 /nfs/dbraw/zinc/73/53/76/393735376.db2.gz SVQXAENCQHDLKT-RHSMWYFYSA-N 2 0 272.436 2.721 20 0 CFADRP C[C@H]1CSCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000336544593 393740306 /nfs/dbraw/zinc/74/03/06/393740306.db2.gz UJPYMIBWFRIBHO-ZIAGYGMSSA-N 2 0 256.459 2.546 20 0 CFADRP C[N@@H+](Cc1ccc(F)cc1F)CC1CC[NH+](C)CC1 ZINC000084862338 393750098 /nfs/dbraw/zinc/75/00/98/393750098.db2.gz CYYAXOMZKUVWPB-UHFFFAOYSA-N 2 0 268.351 2.738 20 0 CFADRP CCN(CC[NH2+][C@H]1CCCC12CCOCC2)C(C)C ZINC000337394132 393761051 /nfs/dbraw/zinc/76/10/51/393761051.db2.gz OQQACGAMQQWMEP-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(C)s1 ZINC000219808604 393761062 /nfs/dbraw/zinc/76/10/62/393761062.db2.gz GTEXXXLKYPUDSS-GXTWGEPZSA-N 2 0 250.411 2.549 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)C12CCC2 ZINC000245893029 393833577 /nfs/dbraw/zinc/83/35/77/393833577.db2.gz MOWYINXQBBAODD-YHUYYLMFSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[NH+](C)C ZINC000222903731 393763929 /nfs/dbraw/zinc/76/39/29/393763929.db2.gz UTUKOPXMNFRHGK-ZDUSSCGKSA-N 2 0 252.377 2.688 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222933827 393764174 /nfs/dbraw/zinc/76/41/74/393764174.db2.gz DNDYDXNAPFTLTO-BFHYXJOUSA-N 2 0 262.397 2.924 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[NH+](C)C ZINC000222903791 393764338 /nfs/dbraw/zinc/76/43/38/393764338.db2.gz UTUKOPXMNFRHGK-CYBMUJFWSA-N 2 0 252.377 2.688 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000223005110 393764879 /nfs/dbraw/zinc/76/48/79/393764879.db2.gz LMLKWTOTPJJLLX-NTZNESFSSA-N 2 0 250.411 2.985 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H](O)C(C)C ZINC000414306387 393798805 /nfs/dbraw/zinc/79/88/05/393798805.db2.gz XULCTSCUJRBDDP-GJZGRUSLSA-N 2 0 270.461 2.634 20 0 CFADRP CCC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@@H]1CCCCO1 ZINC000414703879 393802399 /nfs/dbraw/zinc/80/23/99/393802399.db2.gz VVNKKFKCAHQONS-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP CS[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414705510 393802487 /nfs/dbraw/zinc/80/24/87/393802487.db2.gz KKAYGQAFBVXQNA-HZSPNIEDSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414759249 393804470 /nfs/dbraw/zinc/80/44/70/393804470.db2.gz DVTNEDPUPQKKPS-KKOKHZNYSA-N 2 0 264.335 2.647 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1N(C)C ZINC000093944925 393806561 /nfs/dbraw/zinc/80/65/61/393806561.db2.gz KNKKDEFQJJMTJI-CABCVRRESA-N 2 0 275.440 2.745 20 0 CFADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C[C@H]2C1 ZINC000424268479 393808651 /nfs/dbraw/zinc/80/86/51/393808651.db2.gz LIDGICWGYUQBAT-XRIURRBSSA-N 2 0 292.467 2.797 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)C1 ZINC000424276143 393811155 /nfs/dbraw/zinc/81/11/55/393811155.db2.gz YEJBUBKMGXBBQW-UUAJXVIYSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1C[NH3+] ZINC000415103193 393812329 /nfs/dbraw/zinc/81/23/29/393812329.db2.gz CTDFEVCMCDGDSO-CJNGLKHVSA-N 2 0 288.435 2.817 20 0 CFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000415095047 393812787 /nfs/dbraw/zinc/81/27/87/393812787.db2.gz YRYDXUWKYYSLTJ-MAZHCROVSA-N 2 0 296.361 2.527 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000339065454 393814785 /nfs/dbraw/zinc/81/47/85/393814785.db2.gz CHPDVEJVJRHSGO-BRWVUGGUSA-N 2 0 274.408 2.591 20 0 CFADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOC2)C3)cc1 ZINC000245713729 393824069 /nfs/dbraw/zinc/82/40/69/393824069.db2.gz NPVNLGWESNCJRD-XLAORIBOSA-N 2 0 286.419 2.561 20 0 CFADRP CCSCC[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245755093 393827336 /nfs/dbraw/zinc/82/73/36/393827336.db2.gz ZJZLOWABXPYFNG-ZIAGYGMSSA-N 2 0 258.475 2.934 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000424322631 393827634 /nfs/dbraw/zinc/82/76/34/393827634.db2.gz IJNQSRDIILSONW-HUUCEWRRSA-N 2 0 282.472 2.779 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000245882769 393832828 /nfs/dbraw/zinc/83/28/28/393832828.db2.gz LASCLLFYNQXFGV-OWCLPIDISA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000246502657 393871617 /nfs/dbraw/zinc/87/16/17/393871617.db2.gz SQWCZZQISYZWEN-DDBAPUKQSA-N 2 0 287.451 2.504 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000246764090 393884344 /nfs/dbraw/zinc/88/43/44/393884344.db2.gz ARHSSRNBSCHNSS-BRWVUGGUSA-N 2 0 294.483 2.902 20 0 CFADRP Cc1c(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)cnn1C ZINC000340316515 393841937 /nfs/dbraw/zinc/84/19/37/393841937.db2.gz SWIDEATWLZQASH-ROUUACIJSA-N 2 0 298.434 2.654 20 0 CFADRP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684590807 542832869 /nfs/dbraw/zinc/83/28/69/542832869.db2.gz QCCHCLFOYCODHQ-CYBMUJFWSA-N 2 0 285.391 2.861 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000416399101 393914934 /nfs/dbraw/zinc/91/49/34/393914934.db2.gz GKOGZJSQABQJPE-ZWNOBZJWSA-N 2 0 274.368 2.802 20 0 CFADRP CCC(O)(CC)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000471791566 393915416 /nfs/dbraw/zinc/91/54/16/393915416.db2.gz VMKJKAOLCDUMCR-UHFFFAOYSA-N 2 0 270.461 2.780 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCOCC(F)F)C1 ZINC000248818048 393915822 /nfs/dbraw/zinc/91/58/22/393915822.db2.gz YWBWKFNDHUPFOU-UKRRQHHQSA-N 2 0 298.377 2.693 20 0 CFADRP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000346814220 393933054 /nfs/dbraw/zinc/93/30/54/393933054.db2.gz ACDAWLJAERLQFL-HZPDHXFCSA-N 2 0 276.424 2.696 20 0 CFADRP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120893230 393942484 /nfs/dbraw/zinc/94/24/84/393942484.db2.gz VIJWQFUHBFHAOA-KZNAEPCWSA-N 2 0 295.515 2.674 20 0 CFADRP CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000474723818 393945439 /nfs/dbraw/zinc/94/54/39/393945439.db2.gz SQHXQIVGDZIXQH-SQNIBIBYSA-N 2 0 295.515 2.817 20 0 CFADRP CSc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000259022133 393946591 /nfs/dbraw/zinc/94/65/91/393946591.db2.gz OAFXUUYBDLBRTF-CYBMUJFWSA-N 2 0 264.438 2.888 20 0 CFADRP CC(C)(C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000259004213 393946596 /nfs/dbraw/zinc/94/65/96/393946596.db2.gz MSJVOZUKWBPUJP-ZDUSSCGKSA-N 2 0 264.388 2.693 20 0 CFADRP Cc1cccc2c1C[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000429563559 393953120 /nfs/dbraw/zinc/95/31/20/393953120.db2.gz NLYBCLJBVCLYNQ-MRXNPFEDSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000475348627 393953303 /nfs/dbraw/zinc/95/33/03/393953303.db2.gz FJQIYOSFNJQBQF-SPUZQDLCSA-N 2 0 270.420 2.706 20 0 CFADRP CC(C)C[C@@H](C)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000348424897 393953553 /nfs/dbraw/zinc/95/35/53/393953553.db2.gz RJXYSPCXRDEJAG-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CC1CCC(O)(C[NH+]2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000121367213 393954845 /nfs/dbraw/zinc/95/48/45/393954845.db2.gz MDXHJWLDUJEURV-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP CC[C@@H]1CC[N@@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000430195376 393965940 /nfs/dbraw/zinc/96/59/40/393965940.db2.gz IDZWEQVBJOJYBU-QGZVFWFLSA-N 2 0 287.451 2.813 20 0 CFADRP C[C@H]1C[C@H](CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)C1 ZINC000479747822 393966090 /nfs/dbraw/zinc/96/60/90/393966090.db2.gz CYUHCUMGAPEYSE-RRACKEQVSA-N 2 0 250.430 2.600 20 0 CFADRP CC(C)c1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479952179 393966571 /nfs/dbraw/zinc/96/65/71/393966571.db2.gz BWKYQAVKOBRGQN-CALCHBBNSA-N 2 0 258.409 2.504 20 0 CFADRP C[C@@H]1CCC[N@H+](CCNc2cc[nH+]c3ccccc23)C1 ZINC000486956380 393974963 /nfs/dbraw/zinc/97/49/63/393974963.db2.gz NFLCMACYNFWSPS-CQSZACIVSA-N 2 0 269.392 2.801 20 0 CFADRP COc1cccc(CCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430535429 393991249 /nfs/dbraw/zinc/99/12/49/393991249.db2.gz AMHDNSHDDDQJBM-HOCLYGCPSA-N 2 0 276.424 2.687 20 0 CFADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000430561686 393993788 /nfs/dbraw/zinc/99/37/88/393993788.db2.gz NSSFIPGYYZCOIV-ILXRZTDVSA-N 2 0 256.434 2.545 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124378156 393994027 /nfs/dbraw/zinc/99/40/27/393994027.db2.gz VKJQDIMJGKSAIU-QGZVFWFLSA-N 2 0 295.515 2.985 20 0 CFADRP Cc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c2ccccc2n1 ZINC000430589507 393996897 /nfs/dbraw/zinc/99/68/97/393996897.db2.gz DSDAWJKZIZGJCX-KRWDZBQOSA-N 2 0 269.392 2.760 20 0 CFADRP C[N@H+](CCCc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000430593949 393997053 /nfs/dbraw/zinc/99/70/53/393997053.db2.gz QAYVISYCSFCKGR-UHFFFAOYSA-N 2 0 266.816 2.956 20 0 CFADRP CC(C)([NH3+])c1noc(CN2CCC[C@H]2c2ccccc2)n1 ZINC000430603977 393998052 /nfs/dbraw/zinc/99/80/52/393998052.db2.gz ZRQRARRBIBFPNJ-ZDUSSCGKSA-N 2 0 286.379 2.601 20 0 CFADRP Cc1oc(-c2ccsc2)nc1CN(C)C1CC[NH2+]CC1 ZINC000430606438 393998580 /nfs/dbraw/zinc/99/85/80/393998580.db2.gz WQCGNNQBZZFBMH-UHFFFAOYSA-N 2 0 291.420 2.895 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000353928786 394038439 /nfs/dbraw/zinc/03/84/39/394038439.db2.gz LONQDJLQLBEKFH-WBVHZDCISA-N 2 0 282.472 2.902 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000353928784 394038565 /nfs/dbraw/zinc/03/85/65/394038565.db2.gz LONQDJLQLBEKFH-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000274372011 394042005 /nfs/dbraw/zinc/04/20/05/394042005.db2.gz KYMLUQGXOKEZQJ-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000437104906 394046927 /nfs/dbraw/zinc/04/69/27/394046927.db2.gz ARMFSIWQEGTHDJ-RDJZCZTQSA-N 2 0 289.467 2.961 20 0 CFADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H](C)C1CCCCC1 ZINC000354432495 394047234 /nfs/dbraw/zinc/04/72/34/394047234.db2.gz YTNGOOKSFBKCKJ-CABCVRRESA-N 2 0 282.472 2.638 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(C)c(C)s2)[C@H](C)C1 ZINC000127712311 394055113 /nfs/dbraw/zinc/05/51/13/394055113.db2.gz AGPHBMPGGXIJOJ-BXUZGUMPSA-N 2 0 281.469 2.622 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000127821872 394056864 /nfs/dbraw/zinc/05/68/64/394056864.db2.gz CUQDFBNJGINZSO-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CS[C@@H]1CN(c2cc[nH+]c(C)c2Cl)C[C@H]1[NH+](C)C ZINC000355086425 394057133 /nfs/dbraw/zinc/05/71/33/394057133.db2.gz DCZLFZDYUCZKDK-VXGBXAGGSA-N 2 0 285.844 2.525 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000355129979 394058893 /nfs/dbraw/zinc/05/88/93/394058893.db2.gz JQHRMQYTJKJAIH-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC[C@H]2CCOC2)C1 ZINC000437590611 394062459 /nfs/dbraw/zinc/06/24/59/394062459.db2.gz NVPIUWVVGDCSND-VVLHAWIVSA-N 2 0 280.456 2.750 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000130141202 394103285 /nfs/dbraw/zinc/10/32/85/394103285.db2.gz BUHWYLCZDXOTPH-BHYGNILZSA-N 2 0 288.435 2.843 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2csc(-c3ccco3)n2)CC1 ZINC000437773809 394073625 /nfs/dbraw/zinc/07/36/25/394073625.db2.gz MMMQBANDKRCHAY-UHFFFAOYSA-N 2 0 277.393 2.763 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000128716023 394075092 /nfs/dbraw/zinc/07/50/92/394075092.db2.gz MAAWPDYOVBHMHY-MRXNPFEDSA-N 2 0 281.488 2.572 20 0 CFADRP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000437785149 394075529 /nfs/dbraw/zinc/07/55/29/394075529.db2.gz DZNBNSOSRSTDIL-UHFFFAOYSA-N 2 0 284.407 2.540 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CC[C@H]2CCOC2)C1 ZINC000438087437 394078405 /nfs/dbraw/zinc/07/84/05/394078405.db2.gz LFKCYTMUZHWOIH-HOTGVXAUSA-N 2 0 268.445 2.515 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([NH+]3CCCC3)CC2)CCO1 ZINC000356934284 394082023 /nfs/dbraw/zinc/08/20/23/394082023.db2.gz YOWVIVLIVNUWJA-DOTOQJQBSA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(O)CCC(C)CC2)C[C@@H]1C ZINC000438820399 394082339 /nfs/dbraw/zinc/08/23/39/394082339.db2.gz PMQWJIDFWORUPC-VUROTCPHSA-N 2 0 282.472 2.732 20 0 CFADRP CC[C@@H]1C[C@@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC000357058740 394083868 /nfs/dbraw/zinc/08/38/68/394083868.db2.gz WDOJCZLXGUEKSJ-BHYGNILZSA-N 2 0 280.456 2.513 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000129454306 394088792 /nfs/dbraw/zinc/08/87/92/394088792.db2.gz XBUVIAMFIQLLIT-XHSDSOJGSA-N 2 0 269.477 2.569 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCO1 ZINC000353671617 394034197 /nfs/dbraw/zinc/03/41/97/394034197.db2.gz LCXTZAPGTRNGQE-WRQOLXDDSA-N 2 0 280.456 2.654 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3CCOCC3)C2)CC1 ZINC000361682858 394176292 /nfs/dbraw/zinc/17/62/92/394176292.db2.gz SALYHRTXYKTZAM-GOSISDBHSA-N 2 0 294.483 2.857 20 0 CFADRP C[C@@H](CO)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000286005571 394178190 /nfs/dbraw/zinc/17/81/90/394178190.db2.gz IWMIZXKHQAWYTH-FAEJEUNOSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CC[N@@H+]1C ZINC000130264976 394107048 /nfs/dbraw/zinc/10/70/48/394107048.db2.gz ZQVRWUBAIKIARG-GJZGRUSLSA-N 2 0 262.397 2.528 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000358835604 394113567 /nfs/dbraw/zinc/11/35/67/394113567.db2.gz USIUNBVCGPLZLX-IAGOWNOFSA-N 2 0 298.471 2.583 20 0 CFADRP C[C@H]([NH3+])C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000420299802 394116814 /nfs/dbraw/zinc/11/68/14/394116814.db2.gz JGWHWUKIIPCFQU-ZDUSSCGKSA-N 2 0 274.408 2.713 20 0 CFADRP Clc1ccc2c(c1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420378005 394118527 /nfs/dbraw/zinc/11/85/27/394118527.db2.gz UALDOZJAESBHEJ-LBPRGKRZSA-N 2 0 264.800 2.698 20 0 CFADRP CC(C)CCOCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420379908 394118654 /nfs/dbraw/zinc/11/86/54/394118654.db2.gz BNEDRMGCASQKHX-CVEARBPZSA-N 2 0 268.445 2.513 20 0 CFADRP Fc1ccc(OCCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420388378 394119402 /nfs/dbraw/zinc/11/94/02/394119402.db2.gz WWVVALWVBOEOPH-QGZVFWFLSA-N 2 0 292.398 2.670 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420942972 394133096 /nfs/dbraw/zinc/13/30/96/394133096.db2.gz VZOLTLXCPJIWSK-NXHRZFHOSA-N 2 0 294.483 2.734 20 0 CFADRP CC(C)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+]1CCC[C@H]1C(C)C ZINC000447166681 394151211 /nfs/dbraw/zinc/15/12/11/394151211.db2.gz FRQJSYIPDLLTMY-BJWYYQGGSA-N 2 0 282.472 2.588 20 0 CFADRP COc1ccc(C[C@H](C)C[N@H+](C)CCn2ccnc2)cc1 ZINC000133764080 394181898 /nfs/dbraw/zinc/18/18/98/394181898.db2.gz OWVXBKUTASWOPD-HNNXBMFYSA-N 2 0 287.407 2.702 20 0 CFADRP CC[C@@H]1C[C@H](C)C[NH+]1C[C@@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1CC ZINC000447316684 394151288 /nfs/dbraw/zinc/15/12/88/394151288.db2.gz ZXZZMYMELWAFEA-VIQHNZTISA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)C1(C)C ZINC000361003169 394162176 /nfs/dbraw/zinc/16/21/76/394162176.db2.gz NKVSPYWUAXHVRI-LSDHHAIUSA-N 2 0 270.461 2.898 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1(C)C ZINC000361239111 394168578 /nfs/dbraw/zinc/16/85/78/394168578.db2.gz SQXLELXTJXXWQW-HZSPNIEDSA-N 2 0 256.434 2.508 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@H+](CC)C[C@@H]1C)[NH+](C)C ZINC000133121802 394169704 /nfs/dbraw/zinc/16/97/04/394169704.db2.gz QBNKSBAHFOODNP-XIRDDKMYSA-N 2 0 283.504 2.673 20 0 CFADRP CO[C@@]1(C)CCC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000361409790 394172301 /nfs/dbraw/zinc/17/23/01/394172301.db2.gz IZHDRZDNKWUODD-CVEARBPZSA-N 2 0 268.445 2.752 20 0 CFADRP CSCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422768967 394255644 /nfs/dbraw/zinc/25/56/44/394255644.db2.gz ZTSYXVHOAMAELC-GOEBONIOSA-N 2 0 292.448 2.585 20 0 CFADRP C1=CC[C@H](C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000367466756 394255927 /nfs/dbraw/zinc/25/59/27/394255927.db2.gz AFRDPVHOUGCLER-HZMVEIRTSA-N 2 0 260.425 2.759 20 0 CFADRP C[NH+](C)C1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000421365770 394203082 /nfs/dbraw/zinc/20/30/82/394203082.db2.gz AYWQPBWZJFQXJW-UHFFFAOYSA-N 2 0 286.419 2.925 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]C2CCC([NH+](C)C)CC2)CCO1 ZINC000421367618 394203864 /nfs/dbraw/zinc/20/38/64/394203864.db2.gz FFCWAFLDWFJVSC-PRLABOORSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000449082516 394213582 /nfs/dbraw/zinc/21/35/82/394213582.db2.gz NTTSLJGBUGLULW-BZUAXINKSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449131212 394223579 /nfs/dbraw/zinc/22/35/79/394223579.db2.gz KVFGCSXNBOMFGN-HZPDHXFCSA-N 2 0 283.504 2.674 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000422900528 394257436 /nfs/dbraw/zinc/25/74/36/394257436.db2.gz JNLWMZZXROWXCC-NXNVCVFFSA-N 2 0 276.424 2.870 20 0 CFADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCC1 ZINC000449224630 394257607 /nfs/dbraw/zinc/25/76/07/394257607.db2.gz QYYNNBHUCOVQHY-INIZCTEOSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000449225863 394257682 /nfs/dbraw/zinc/25/76/82/394257682.db2.gz VIGNRWXIQRTBRF-AWEZNQCLSA-N 2 0 293.455 2.936 20 0 CFADRP C[N@@H+]1CCC[C@H](CNCc2cc(F)c(F)cc2F)C1 ZINC000136093282 394229416 /nfs/dbraw/zinc/22/94/16/394229416.db2.gz AHECQEPWNUZLJL-SNVBAGLBSA-N 2 0 272.314 2.535 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422898319 394258112 /nfs/dbraw/zinc/25/81/12/394258112.db2.gz LVSGNPHYKSWMCC-XJKSGUPXSA-N 2 0 276.399 2.835 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCC1 ZINC000449156466 394233474 /nfs/dbraw/zinc/23/34/74/394233474.db2.gz DJLDUOCEAGARET-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(COC)CC2)[C@H](C)C1 ZINC000449168318 394238836 /nfs/dbraw/zinc/23/88/36/394238836.db2.gz LZNZKZMJFHPRKW-PRLABOORSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](Cn1cccn1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000137956659 394241538 /nfs/dbraw/zinc/24/15/38/394241538.db2.gz BHKMIBBWXFESEJ-OAHLLOKOSA-N 2 0 278.444 2.516 20 0 CFADRP Cc1cccc(CC[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000449176150 394241598 /nfs/dbraw/zinc/24/15/98/394241598.db2.gz SFJULLCJHUCZEA-IRXDYDNUSA-N 2 0 260.425 3.000 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421818314 394243179 /nfs/dbraw/zinc/24/31/79/394243179.db2.gz ACKNRUSMJYOAHV-INIZCTEOSA-N 2 0 275.440 2.649 20 0 CFADRP COC1([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CCCCC1 ZINC000421821953 394244148 /nfs/dbraw/zinc/24/41/48/394244148.db2.gz VAGYVYFJESABAH-HUUCEWRRSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)[C@H](C)O1 ZINC000449202683 394250870 /nfs/dbraw/zinc/25/08/70/394250870.db2.gz IYTOLFGCBQMALY-WQGACYEGSA-N 2 0 280.387 2.543 20 0 CFADRP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422761616 394253888 /nfs/dbraw/zinc/25/38/88/394253888.db2.gz MYSBQBDLKLFIHG-JYJNAYRXSA-N 2 0 291.414 2.572 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422761599 394254430 /nfs/dbraw/zinc/25/44/30/394254430.db2.gz MXPQKRATAQDVGK-DRRXZNNHSA-N 2 0 280.456 2.559 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)OC ZINC000422992494 394260167 /nfs/dbraw/zinc/26/01/67/394260167.db2.gz CRSUKOSANBDKDK-NUEKZKHPSA-N 2 0 270.461 2.948 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151152723 394260899 /nfs/dbraw/zinc/26/08/99/394260899.db2.gz QGBPIHKQUFXGDT-MRXNPFEDSA-N 2 0 268.445 2.753 20 0 CFADRP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000423047195 394261739 /nfs/dbraw/zinc/26/17/39/394261739.db2.gz FVJBFFUCXPYZHV-KKUMJFAQSA-N 2 0 256.434 2.687 20 0 CFADRP C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423037291 394262537 /nfs/dbraw/zinc/26/25/37/394262537.db2.gz MOTMBHZTNFPOKU-OSMBCOQSSA-N 2 0 292.398 2.776 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000423074347 394264459 /nfs/dbraw/zinc/26/44/59/394264459.db2.gz URMIUHRNQYJTMV-YESZJQIVSA-N 2 0 260.425 2.971 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[NH+](C)C ZINC000151909102 394265216 /nfs/dbraw/zinc/26/52/16/394265216.db2.gz HUUYUQHLQJFXKZ-BLLLJJGKSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O ZINC000423083365 394266033 /nfs/dbraw/zinc/26/60/33/394266033.db2.gz YSBYSCNGKWHDEJ-RYRKJORJSA-N 2 0 292.467 2.723 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000423084221 394266947 /nfs/dbraw/zinc/26/69/47/394266947.db2.gz HCINKABVGCTLSJ-SOLBZPMBSA-N 2 0 287.451 2.620 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCc2ccccc2F)CC1 ZINC000423092409 394269534 /nfs/dbraw/zinc/26/95/34/394269534.db2.gz BUJXTPRXHVQGLX-UHFFFAOYSA-N 2 0 264.388 2.865 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCCc1ccccc1F ZINC000423092623 394269712 /nfs/dbraw/zinc/26/97/12/394269712.db2.gz CSIVWSPSABLFJI-CZUORRHYSA-N 2 0 264.388 2.736 20 0 CFADRP CSC1(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000423090361 394269801 /nfs/dbraw/zinc/26/98/01/394269801.db2.gz VGYJOEAKHOCOQT-HIFRSBDPSA-N 2 0 278.465 2.820 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093181 394270107 /nfs/dbraw/zinc/27/01/07/394270107.db2.gz GGFASSZSIJMDKG-SZMVWBNQSA-N 2 0 293.499 2.891 20 0 CFADRP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423096029 394270397 /nfs/dbraw/zinc/27/03/97/394270397.db2.gz NTNLACMCXXHMHT-MWDXBVQZSA-N 2 0 282.472 2.948 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423121434 394270580 /nfs/dbraw/zinc/27/05/80/394270580.db2.gz IGWVVNLUSDYUAT-RMRKRWHISA-N 2 0 290.382 2.723 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1OCCc2sccc21 ZINC000423132489 394271437 /nfs/dbraw/zinc/27/14/37/394271437.db2.gz PHNOMWDJSMNACM-ITDKRANNSA-N 2 0 294.464 2.858 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423146383 394271990 /nfs/dbraw/zinc/27/19/90/394271990.db2.gz ALPAFQUSKQEIDT-CXHZTBPHSA-N 2 0 286.419 2.878 20 0 CFADRP Cc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3[NH3+])CC2)c(C)c1 ZINC000423148344 394272092 /nfs/dbraw/zinc/27/20/92/394272092.db2.gz VFLAPLDITZBUGR-HOTGVXAUSA-N 2 0 258.409 2.804 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2sccc21 ZINC000423193896 394272585 /nfs/dbraw/zinc/27/25/85/394272585.db2.gz XHUBWPJQNLOXJD-ZFWWWQNUSA-N 2 0 293.480 2.571 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000423253533 394274880 /nfs/dbraw/zinc/27/48/80/394274880.db2.gz WASMPDMBQXHZBN-YOEHRIQHSA-N 2 0 258.409 2.962 20 0 CFADRP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1CCCO ZINC000449386492 394275054 /nfs/dbraw/zinc/27/50/54/394275054.db2.gz IQVKDIIKLJIOCD-ZACQAIPSSA-N 2 0 282.472 2.782 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000152615591 394277695 /nfs/dbraw/zinc/27/76/95/394277695.db2.gz PYUKKVWAUGCMDN-WMZOPIPTSA-N 2 0 293.499 2.594 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000152615687 394277757 /nfs/dbraw/zinc/27/77/57/394277757.db2.gz PYUKKVWAUGCMDN-SJLPKXTDSA-N 2 0 293.499 2.594 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423347597 394277911 /nfs/dbraw/zinc/27/79/11/394277911.db2.gz QSMAANCQOPOCAC-MRXNPFEDSA-N 2 0 260.356 2.712 20 0 CFADRP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423390353 394279540 /nfs/dbraw/zinc/27/95/40/394279540.db2.gz KBQRTPFUFLIXDA-GRYCIOLGSA-N 2 0 279.453 2.671 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)(C)C ZINC000423406913 394280697 /nfs/dbraw/zinc/28/06/97/394280697.db2.gz ZJBHLMLJPWYXQU-IACUBPJLSA-N 2 0 278.444 2.867 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCCCC2)cc1 ZINC000423423708 394281412 /nfs/dbraw/zinc/28/14/12/394281412.db2.gz DVPJOQHWOWAJFY-ZSYWTGECSA-N 2 0 284.447 2.985 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000423462556 394282951 /nfs/dbraw/zinc/28/29/51/394282951.db2.gz KSCWMTFGBMZPMA-DZGCQCFKSA-N 2 0 250.386 2.719 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CCCO2 ZINC000423496984 394283982 /nfs/dbraw/zinc/28/39/82/394283982.db2.gz YBKUVDKQYSZEHQ-OFQRWUPVSA-N 2 0 274.408 2.926 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)C1(C)C ZINC000423509213 394285319 /nfs/dbraw/zinc/28/53/19/394285319.db2.gz OGTFMNYCTOMQFP-CBBWQLFWSA-N 2 0 268.445 2.687 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)CN1C1CC1 ZINC000423512532 394286281 /nfs/dbraw/zinc/28/62/81/394286281.db2.gz UWPPXUJUQOAPOS-UWWQBHOKSA-N 3 0 287.451 2.681 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000423523642 394288970 /nfs/dbraw/zinc/28/89/70/394288970.db2.gz YWMFGCXYLDNRKM-XOSAIJSUSA-N 2 0 288.435 2.950 20 0 CFADRP COc1ncc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000423522104 394289067 /nfs/dbraw/zinc/28/90/67/394289067.db2.gz XINXOUBRARPQFS-UMNHJUIQSA-N 2 0 283.803 2.522 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cnn1C(C)C ZINC000423520856 394289161 /nfs/dbraw/zinc/28/91/61/394289161.db2.gz WOJIHOAQDJFXSZ-FPMFFAJLSA-N 2 0 264.417 2.550 20 0 CFADRP CC[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OC)cc1 ZINC000423528477 394290879 /nfs/dbraw/zinc/29/08/79/394290879.db2.gz OIXUGQWAPBLURX-MRXNPFEDSA-N 2 0 262.397 2.878 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1(C)C ZINC000423538979 394293871 /nfs/dbraw/zinc/29/38/71/394293871.db2.gz OGPYNMIQTBGXPL-HOTGVXAUSA-N 2 0 280.456 2.726 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccn1 ZINC000423540617 394293984 /nfs/dbraw/zinc/29/39/84/394293984.db2.gz KBQBGQYBHPPKBM-ANQUJSFKSA-N 2 0 273.424 2.901 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000423537101 394293994 /nfs/dbraw/zinc/29/39/94/394293994.db2.gz JBUBUVSHXDPFKP-LLVKDONJSA-N 2 0 265.788 2.695 20 0 CFADRP CCC1(CC)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H](C)[C@@H]1OC ZINC000423540556 394294054 /nfs/dbraw/zinc/29/40/54/394294054.db2.gz JVHXFEXAKNZACF-DBHDPKECSA-N 2 0 294.483 2.804 20 0 CFADRP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000423537211 394294299 /nfs/dbraw/zinc/29/42/99/394294299.db2.gz CCZZHVAPRYELNA-RZLSGREXSA-N 2 0 276.428 2.503 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cnn1C(C)(C)C ZINC000423540940 394294634 /nfs/dbraw/zinc/29/46/34/394294634.db2.gz REQQATCBGNFCPF-ZDUSSCGKSA-N 2 0 290.455 2.907 20 0 CFADRP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546944 394295663 /nfs/dbraw/zinc/29/56/63/394295663.db2.gz ZOPPKYQZMDDEIL-KRWDZBQOSA-N 2 0 288.460 2.916 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c(F)c1 ZINC000423548585 394295675 /nfs/dbraw/zinc/29/56/75/394295675.db2.gz GVTPZQIEEGYWRG-GFCCVEGCSA-N 2 0 278.371 2.795 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546167 394295748 /nfs/dbraw/zinc/29/57/48/394295748.db2.gz YVFXTPZLWIZCKG-MRXNPFEDSA-N 2 0 290.382 2.721 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cn1 ZINC000423547807 394295810 /nfs/dbraw/zinc/29/58/10/394295810.db2.gz QGRRFORYQIVCCV-CIQGVGRVSA-N 2 0 279.815 2.774 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1(C)C ZINC000423552467 394296317 /nfs/dbraw/zinc/29/63/17/394296317.db2.gz UZAFWSLFPXZQSY-ZOFXXKQRSA-N 2 0 294.483 2.948 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000423554187 394296355 /nfs/dbraw/zinc/29/63/55/394296355.db2.gz LJPCUJAFXXZFLJ-NSHDSACASA-N 2 0 266.335 2.925 20 0 CFADRP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423550375 394296556 /nfs/dbraw/zinc/29/65/56/394296556.db2.gz IHBFCSGMMJIORC-FMKPAKJESA-N 2 0 276.424 2.919 20 0 CFADRP CC(C)CO[C@H]1C[C@H]([NH2+]CCC[NH2+]C2CC2)C1(C)C ZINC000423556909 394297330 /nfs/dbraw/zinc/29/73/30/394297330.db2.gz NAHSDHADZSEDPN-GJZGRUSLSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)oc1C ZINC000423554591 394297397 /nfs/dbraw/zinc/29/73/97/394297397.db2.gz WXHCNEGKDDAQET-SPWCGHHHSA-N 2 0 262.397 2.935 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000155628987 394320215 /nfs/dbraw/zinc/32/02/15/394320215.db2.gz DNVIZTMLUWAQEN-KZNAEPCWSA-N 2 0 295.515 2.817 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(F)F)[C@H](C)C1 ZINC000450759980 394336013 /nfs/dbraw/zinc/33/60/13/394336013.db2.gz PZVXVHKWDYJMDL-ZIAGYGMSSA-N 2 0 292.414 2.758 20 0 CFADRP Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000450775477 394339287 /nfs/dbraw/zinc/33/92/87/394339287.db2.gz FQPXJYOCNQMKHB-PXAZEXFGSA-N 2 0 285.366 2.823 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000157893984 394351493 /nfs/dbraw/zinc/35/14/93/394351493.db2.gz HHQPBOANVXRETK-GJZGRUSLSA-N 2 0 256.434 2.656 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000158189329 394355528 /nfs/dbraw/zinc/35/55/28/394355528.db2.gz LJPPUQYRRKEYIA-INIZCTEOSA-N 2 0 287.451 2.587 20 0 CFADRP COCC[C@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158596395 394359041 /nfs/dbraw/zinc/35/90/41/394359041.db2.gz GLQSDIOPRGGXHB-XHSDSOJGSA-N 2 0 270.461 2.759 20 0 CFADRP CC[N@@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158652524 394359596 /nfs/dbraw/zinc/35/95/96/394359596.db2.gz YIGXFNQNRVWOAB-XDNAFOTISA-N 2 0 295.515 2.674 20 0 CFADRP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000173380409 394375989 /nfs/dbraw/zinc/37/59/89/394375989.db2.gz WBJKWZUPHFNARW-TZMCWYRMSA-N 2 0 298.377 2.726 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)no1 ZINC000453387090 394394400 /nfs/dbraw/zinc/39/44/00/394394400.db2.gz AVEINYFPMWZXQD-LBPRGKRZSA-N 2 0 251.374 2.508 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2CC)[C@H](C)C1 ZINC000453308275 394384213 /nfs/dbraw/zinc/38/42/13/394384213.db2.gz MXYRRZHCCVKCRH-WCXIOVBPSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000527639416 394394694 /nfs/dbraw/zinc/39/46/94/394394694.db2.gz CLRDZSSMPNOCSA-SDADXPQNSA-N 2 0 250.430 2.743 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOCC2CCCC2)[C@H]2CCC[C@@H]21 ZINC000453388116 394394745 /nfs/dbraw/zinc/39/47/45/394394745.db2.gz FROFRDJOVUEXQE-IKGGRYGDSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCO1 ZINC000453323489 394385578 /nfs/dbraw/zinc/38/55/78/394385578.db2.gz UKMZHTJDLWABMZ-ILOCAZANSA-N 2 0 294.483 2.900 20 0 CFADRP Cc1ccc(F)c(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000453344805 394387790 /nfs/dbraw/zinc/38/77/90/394387790.db2.gz JFSYWOZYONFIOL-BBRMVZONSA-N 2 0 264.388 2.606 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000527649716 394395964 /nfs/dbraw/zinc/39/59/64/394395964.db2.gz QSIYZALBCZTUKO-VRKREXBASA-N 2 0 250.430 2.741 20 0 CFADRP CSCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820881 135077665 /nfs/dbraw/zinc/07/76/65/135077665.db2.gz SGXJDJKEVDNCSH-UHFFFAOYSA-N 2 0 293.480 2.983 20 0 CFADRP CC(C)n1ccc(C[C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)n1 ZINC000453407591 394399034 /nfs/dbraw/zinc/39/90/34/394399034.db2.gz SCRHPQOLRYVNCK-OAHLLOKOSA-N 2 0 292.471 2.859 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C12CCC2 ZINC000453410747 394399859 /nfs/dbraw/zinc/39/98/59/394399859.db2.gz VBTJBAAXWKADOF-HOTGVXAUSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529596383 394413334 /nfs/dbraw/zinc/41/33/34/394413334.db2.gz BTGBVRQWJHETBC-RYUDHWBXSA-N 2 0 260.372 2.742 20 0 CFADRP CC(C)c1cccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000527861312 394418251 /nfs/dbraw/zinc/41/82/51/394418251.db2.gz CZNQQMTWOGIHNX-OAHLLOKOSA-N 2 0 290.451 2.917 20 0 CFADRP Cc1cccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C(C)C)c1 ZINC000527869585 394419202 /nfs/dbraw/zinc/41/92/02/394419202.db2.gz RLOHEFZWBAYLIQ-KRWDZBQOSA-N 2 0 290.451 2.738 20 0 CFADRP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000527873496 394419819 /nfs/dbraw/zinc/41/98/19/394419819.db2.gz VCGDXQRHIOABSR-OIISXLGYSA-N 2 0 260.425 2.938 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(CO)c1 ZINC000528012082 394438964 /nfs/dbraw/zinc/43/89/64/394438964.db2.gz NQSOAPYKYNVFNX-KBXCAEBGSA-N 2 0 288.435 2.846 20 0 CFADRP COCCC1CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000527934792 394428193 /nfs/dbraw/zinc/42/81/93/394428193.db2.gz KYJJXSKQSBVMPQ-UHFFFAOYSA-N 2 0 282.472 2.998 20 0 CFADRP Cn1c2ccccc2nc1CCn1ccnc1C1CC1 ZINC000530130439 394456523 /nfs/dbraw/zinc/45/65/23/394456523.db2.gz WAFATVSDVFVXAO-UHFFFAOYSA-N 2 0 266.348 2.890 20 0 CFADRP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178847 394471938 /nfs/dbraw/zinc/47/19/38/394471938.db2.gz RROWHDSLLXYJLY-GOEBONIOSA-N 2 0 258.409 2.882 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179080 394473530 /nfs/dbraw/zinc/47/35/30/394473530.db2.gz PDOKOMOSSPZSQM-UWVGGRQHSA-N 2 0 250.308 2.592 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC(C1CCC1)C1CCC1 ZINC000530207879 394479773 /nfs/dbraw/zinc/47/97/73/394479773.db2.gz FANPPJBFCTZROK-GDBMZVCRSA-N 2 0 250.430 2.920 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCC ZINC000530206620 394480122 /nfs/dbraw/zinc/48/01/22/394480122.db2.gz AXAHPPCFEAJSQF-LVQVYYBASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]([NH2+]CC1CCc2ccccc2CC1)[C@H]1CCC[NH2+]1 ZINC000530214298 394482591 /nfs/dbraw/zinc/48/25/91/394482591.db2.gz XEGUBQKYRONUIT-RDTXWAMCSA-N 2 0 272.436 2.912 20 0 CFADRP Cc1cnccc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000530221062 394487448 /nfs/dbraw/zinc/48/74/48/394487448.db2.gz WKEFVBSFHDXXOO-UHFFFAOYSA-N 2 0 261.413 2.731 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC(F)(F)C[C@H]2C)cc1 ZINC000530232185 394493001 /nfs/dbraw/zinc/49/30/01/394493001.db2.gz OIWUOMIBWQKJTN-OCCSQVGLSA-N 2 0 298.377 2.857 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC[NH2+]C1 ZINC000530242313 394494219 /nfs/dbraw/zinc/49/42/19/394494219.db2.gz BUCHSJDVPMKUMA-HUUCEWRRSA-N 2 0 264.800 2.917 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241741 394494340 /nfs/dbraw/zinc/49/43/40/394494340.db2.gz QJHNQFLVLXCOFR-DOTOQJQBSA-N 2 0 282.472 2.759 20 0 CFADRP CC(C)C[C@@H](C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241742 394494381 /nfs/dbraw/zinc/49/43/81/394494381.db2.gz QJHNQFLVLXCOFR-NVXWUHKLSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2(C)CCC(F)(F)CC2)CC[NH2+]1 ZINC000530244760 394495032 /nfs/dbraw/zinc/49/50/32/394495032.db2.gz NHFGSPXTYABDAW-NEPJUHHUSA-N 2 0 260.372 2.932 20 0 CFADRP Cc1nccn1CCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535679879 394538631 /nfs/dbraw/zinc/53/86/31/394538631.db2.gz IVPSLZBBIFINDM-UHFFFAOYSA-N 3 0 299.422 2.553 20 0 CFADRP Cc1nccn1CCC[N@H+](Cc1ccccn1)C(C)C ZINC000535669182 394538762 /nfs/dbraw/zinc/53/87/62/394538762.db2.gz FWCPMNPYOKHQEE-UHFFFAOYSA-N 2 0 272.396 2.887 20 0 CFADRP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCCC(C)(C)C2)CC1 ZINC000538732387 394614214 /nfs/dbraw/zinc/61/42/14/394614214.db2.gz JALRFUINPUIKGK-INIZCTEOSA-N 2 0 296.499 2.981 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000541738700 394682908 /nfs/dbraw/zinc/68/29/08/394682908.db2.gz NHMJEKGKBAHIIE-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H](NCc1ccc(CO)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541905583 394690840 /nfs/dbraw/zinc/69/08/40/394690840.db2.gz XAZUXXHBDKJUGQ-ZIAGYGMSSA-N 2 0 292.423 2.515 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)Cc2ccsc2)C1 ZINC000542163533 394697123 /nfs/dbraw/zinc/69/71/23/394697123.db2.gz OIVJNNKNYXFYGW-HIFRSBDPSA-N 2 0 266.454 2.953 20 0 CFADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCCC1 ZINC000544355460 394756870 /nfs/dbraw/zinc/75/68/70/394756870.db2.gz RNGWXFHHLHLXIG-INIZCTEOSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCCC1 ZINC000544355461 394757122 /nfs/dbraw/zinc/75/71/22/394757122.db2.gz RNGWXFHHLHLXIG-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000547704853 394882453 /nfs/dbraw/zinc/88/24/53/394882453.db2.gz CALJGLZLPSVUQZ-GFCCVEGCSA-N 2 0 290.436 2.570 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C2 ZINC000685665866 542941164 /nfs/dbraw/zinc/94/11/64/542941164.db2.gz YGAMYXHLSAXCHZ-RHSMWYFYSA-N 2 0 288.435 2.618 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CN(CC)CC)C1CCOCC1 ZINC000532483050 542962950 /nfs/dbraw/zinc/96/29/50/542962950.db2.gz SWEHBBSRGMSEDE-UKRRQHHQSA-N 2 0 256.434 2.512 20 0 CFADRP Fc1cccc(F)c1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166220089 542965955 /nfs/dbraw/zinc/96/59/55/542965955.db2.gz ADSPPWCSINTBJS-QWHCGFSZSA-N 2 0 280.362 2.724 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000556953107 395027168 /nfs/dbraw/zinc/02/71/68/395027168.db2.gz ZUYYZBZYBVQCNQ-KWOWKCNFSA-N 2 0 297.402 2.947 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cscn1 ZINC000556077550 394988929 /nfs/dbraw/zinc/98/89/29/394988929.db2.gz CTJFRDLQIUTLNN-NSHDSACASA-N 2 0 265.426 2.668 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000556760073 395012964 /nfs/dbraw/zinc/01/29/64/395012964.db2.gz KJIKRQJUIFQRDB-PVAVHDDUSA-N 2 0 258.409 2.722 20 0 CFADRP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000556871107 395022500 /nfs/dbraw/zinc/02/25/00/395022500.db2.gz SHIZYJPTJKVMSD-ZWKOTPCHSA-N 2 0 293.499 2.569 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000558397089 395058454 /nfs/dbraw/zinc/05/84/54/395058454.db2.gz LTJYYEPNWQLGJM-MRXNPFEDSA-N 2 0 269.392 2.972 20 0 CFADRP C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1c[nH+]ccc1N ZINC000570624467 395085264 /nfs/dbraw/zinc/08/52/64/395085264.db2.gz WQOKJFLFBGMDJW-CYBMUJFWSA-N 2 0 288.439 2.552 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc2cccnc12 ZINC000578244729 395095384 /nfs/dbraw/zinc/09/53/84/395095384.db2.gz GMTCDWXVILECBV-XJKSGUPXSA-N 2 0 269.392 2.855 20 0 CFADRP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000584557162 395098682 /nfs/dbraw/zinc/09/86/82/395098682.db2.gz MBJZYSUYPXZSSF-QGZVFWFLSA-N 2 0 275.440 2.643 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000648424463 395138609 /nfs/dbraw/zinc/13/86/09/395138609.db2.gz ZRNWRWPEQFGZLS-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000648428434 395139509 /nfs/dbraw/zinc/13/95/09/395139509.db2.gz OSEUOVFSYYMIGN-QAPCUYQASA-N 2 0 272.436 2.865 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000648453021 395149859 /nfs/dbraw/zinc/14/98/59/395149859.db2.gz QFMZPSSZZQTWDG-RBSFLKMASA-N 2 0 270.461 2.900 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000179991608 543009738 /nfs/dbraw/zinc/00/97/38/543009738.db2.gz MLQKFQKFWCRIJV-ZBFHGGJFSA-N 2 0 275.440 2.951 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000179954593 543008731 /nfs/dbraw/zinc/00/87/31/543008731.db2.gz MFTSCSLFRVDJDZ-OLZOCXBDSA-N 2 0 266.433 2.879 20 0 CFADRP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC000648658689 395238855 /nfs/dbraw/zinc/23/88/55/395238855.db2.gz ROKCWYFYKQHROM-XJKSGUPXSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)C[NH+]1CCCC1 ZINC000647172793 395199462 /nfs/dbraw/zinc/19/94/62/395199462.db2.gz IVCBSGYGDJPUBQ-LBPRGKRZSA-N 2 0 260.372 2.886 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)CO1 ZINC000647186442 395208440 /nfs/dbraw/zinc/20/84/40/395208440.db2.gz MSWIHVANQANVPQ-HGTKMLMNSA-N 2 0 294.464 2.898 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@H]2CCC[C@@H]21 ZINC000647312815 395285643 /nfs/dbraw/zinc/28/56/43/395285643.db2.gz OYYYEDFHRBDHHE-QRTUWBSPSA-N 2 0 254.393 2.730 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000647343537 395306811 /nfs/dbraw/zinc/30/68/11/395306811.db2.gz VOFBLAJZONOHBV-DGADGQDISA-N 2 0 280.456 2.795 20 0 CFADRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc(O)c2)[C@H](c2ccccc2)C1 ZINC000647248713 395255849 /nfs/dbraw/zinc/25/58/49/395255849.db2.gz VSKZQXWTQGUPPC-MJGOQNOKSA-N 2 0 296.414 2.827 20 0 CFADRP COCc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482465 395355381 /nfs/dbraw/zinc/35/53/81/395355381.db2.gz HJCJLUZVMJDEPC-UHFFFAOYSA-N 2 0 274.408 2.549 20 0 CFADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000647496533 395358502 /nfs/dbraw/zinc/35/85/02/395358502.db2.gz RNYYCTPSEJCNCV-RYUDHWBXSA-N 2 0 279.453 2.581 20 0 CFADRP C[C@@H](C[NH3+])N(C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000647496336 395358631 /nfs/dbraw/zinc/35/86/31/395358631.db2.gz VBWKTHMDMWFUCM-LBPRGKRZSA-N 2 0 298.390 2.612 20 0 CFADRP CC[C@@H](C)Oc1cc(CN(C)[C@H](C)C[NH3+])ccc1OC ZINC000647496029 395358686 /nfs/dbraw/zinc/35/86/86/395358686.db2.gz FKJJULVNKWYYQI-CHWSQXEVSA-N 2 0 280.412 2.652 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc3cnccc32)CC[C@H]1[NH3+] ZINC000647497234 395360948 /nfs/dbraw/zinc/36/09/48/395360948.db2.gz AKKAXSSCBSQAPF-SUMWQHHRSA-N 2 0 269.392 2.794 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000647498885 395363531 /nfs/dbraw/zinc/36/35/31/395363531.db2.gz SOJSHFCAHPCYNR-JSGCOSHPSA-N 2 0 284.350 2.847 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647498877 395364472 /nfs/dbraw/zinc/36/44/72/395364472.db2.gz SNKSBDMEVLYCSF-HIFRSBDPSA-N 2 0 298.377 2.890 20 0 CFADRP [NH3+]CCCOC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000647506381 395367291 /nfs/dbraw/zinc/36/72/91/395367291.db2.gz YEJHGNQFFAXIOS-UHFFFAOYSA-N 2 0 299.418 2.565 20 0 CFADRP C(C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)[NH+]1CCCCCC1 ZINC000647513851 395369354 /nfs/dbraw/zinc/36/93/54/395369354.db2.gz JNSLIXWGZDVDPD-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP Fc1ccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC000647518150 395372756 /nfs/dbraw/zinc/37/27/56/395372756.db2.gz ILQMBQYAOVKHAP-ZDUSSCGKSA-N 2 0 262.372 2.794 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000647537752 395380776 /nfs/dbraw/zinc/38/07/76/395380776.db2.gz GGGYGWMODUOPOE-CZUORRHYSA-N 2 0 260.381 2.529 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647535633 395381067 /nfs/dbraw/zinc/38/10/67/395381067.db2.gz GFTNVWWXMXXDOF-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP CC(C)n1nccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543078 395384295 /nfs/dbraw/zinc/38/42/95/395384295.db2.gz HJPHATIAFHRYBT-HOTGVXAUSA-N 2 0 290.455 2.676 20 0 CFADRP Cc1csc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543017 395384585 /nfs/dbraw/zinc/38/45/85/395384585.db2.gz GNSAHYFPQZSFNL-KBPBESRZSA-N 2 0 279.453 2.663 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1F ZINC000647542064 395384997 /nfs/dbraw/zinc/38/49/97/395384997.db2.gz OFFCCTKUQYERAF-AWEZNQCLSA-N 2 0 292.398 2.656 20 0 CFADRP Cc1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544021 395385725 /nfs/dbraw/zinc/38/57/25/395385725.db2.gz VPFUZBLIITVVEP-DOTOQJQBSA-N 2 0 273.424 2.602 20 0 CFADRP CC(C)(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000647544558 395386341 /nfs/dbraw/zinc/38/63/41/395386341.db2.gz TXTQKUSRNDKZAI-IYBDPMFKSA-N 2 0 272.436 2.896 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2c(c1)NCCC2 ZINC000647547755 395387050 /nfs/dbraw/zinc/38/70/50/395387050.db2.gz CDALWPLGPCOJOW-NUEKZKHPSA-N 2 0 285.435 2.522 20 0 CFADRP Cc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C[NH+](C)C)c1 ZINC000647548156 395387447 /nfs/dbraw/zinc/38/74/47/395387447.db2.gz WVMBVQNUXAWEBI-ZMSDIMECSA-N 2 0 287.451 2.857 20 0 CFADRP Clc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549326 395387954 /nfs/dbraw/zinc/38/79/54/395387954.db2.gz UFYRZOXMJAGIRX-OFQRWUPVSA-N 2 0 278.827 2.860 20 0 CFADRP Fc1cccc(Cl)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549585 395388101 /nfs/dbraw/zinc/38/81/01/395388101.db2.gz ITNJTGLYFVOQEL-SDDRHHMPSA-N 2 0 282.790 2.957 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647548911 395388555 /nfs/dbraw/zinc/38/85/55/395388555.db2.gz AHIJDIBNQDXQDL-YLFCFFPRSA-N 2 0 270.420 2.694 20 0 CFADRP Cc1ccccc1C1([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000647552476 395390488 /nfs/dbraw/zinc/39/04/88/395390488.db2.gz APAFLMWHOLKACH-LSDHHAIUSA-N 2 0 258.409 2.962 20 0 CFADRP Cc1ccc(C[N@H+](CC2CC2)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000647552580 395390724 /nfs/dbraw/zinc/39/07/24/395390724.db2.gz IVFSOXWXIHISIZ-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553190 395392224 /nfs/dbraw/zinc/39/22/24/395392224.db2.gz HRUFSIZBIAXWGJ-AWEZNQCLSA-N 2 0 284.403 2.875 20 0 CFADRP COc1ccc2cc(C[N@H+](C)C[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000647873506 395449112 /nfs/dbraw/zinc/44/91/12/395449112.db2.gz SPEAOLYOTCSPTO-OAHLLOKOSA-N 2 0 284.403 2.890 20 0 CFADRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000647874908 395449174 /nfs/dbraw/zinc/44/91/74/395449174.db2.gz IYLYSDLDNOWAFP-UHFFFAOYSA-N 2 0 284.403 2.761 20 0 CFADRP Oc1ccc(CCC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647874397 395449350 /nfs/dbraw/zinc/44/93/50/395449350.db2.gz RDUAOGWWTXLIAB-KRWDZBQOSA-N 2 0 288.435 2.646 20 0 CFADRP Cc1ccc(C)c(OC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000647881639 395451696 /nfs/dbraw/zinc/45/16/96/395451696.db2.gz YAWLFKKOUSFKSR-INIZCTEOSA-N 2 0 288.435 2.756 20 0 CFADRP Clc1ccc([C@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647884979 395452296 /nfs/dbraw/zinc/45/22/96/395452296.db2.gz SBEHJHBGWPHCEU-OCCSQVGLSA-N 2 0 264.800 2.739 20 0 CFADRP CCOC[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647885793 395452346 /nfs/dbraw/zinc/45/23/46/395452346.db2.gz QRSQKLGLQIALHG-MRXNPFEDSA-N 2 0 268.445 2.515 20 0 CFADRP C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885721 395452510 /nfs/dbraw/zinc/45/25/10/395452510.db2.gz JNEADRJDOUYGAC-DOTOQJQBSA-N 2 0 258.409 2.650 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000647890073 395454106 /nfs/dbraw/zinc/45/41/06/395454106.db2.gz LXNHRTHUAIOSOO-IOASZLSFSA-N 2 0 262.372 2.818 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647890044 395454190 /nfs/dbraw/zinc/45/41/90/395454190.db2.gz IRGHWLHNQPRTSB-WBVHZDCISA-N 2 0 278.415 2.934 20 0 CFADRP CC[C@H]1C[N@H+](CCCCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000647934683 395460684 /nfs/dbraw/zinc/46/06/84/395460684.db2.gz MHZPDBFXGIUCMS-QWRGUYRKSA-N 2 0 252.324 2.778 20 0 CFADRP CC[C@@H]1C[N@H+](CCCOc2ccccc2C)CC[C@@H]1[NH3+] ZINC000647936644 395461489 /nfs/dbraw/zinc/46/14/89/395461489.db2.gz JBDXWLNMZIGVHC-CVEARBPZSA-N 2 0 276.424 2.823 20 0 CFADRP c1cncc([C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000647995153 395474829 /nfs/dbraw/zinc/47/48/29/395474829.db2.gz AQLQGBCFKLCKEO-QGZVFWFLSA-N 2 0 273.424 2.651 20 0 CFADRP CCc1ccc2[nH+]ccc(N[C@H](C)C[C@@H](C)[NH3+])c2c1 ZINC000647711403 395418171 /nfs/dbraw/zinc/41/81/71/395418171.db2.gz LPXQUKZLZKWABY-VXGBXAGGSA-N 2 0 257.381 2.757 20 0 CFADRP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977566 395471701 /nfs/dbraw/zinc/47/17/01/395471701.db2.gz DQBRZLRUOLKHDX-QZTJIDSGSA-N 3 0 293.499 2.574 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccn1 ZINC000647977654 395471776 /nfs/dbraw/zinc/47/17/76/395471776.db2.gz FTQLOCFKSYFLPZ-QZTJIDSGSA-N 2 0 287.451 2.726 20 0 CFADRP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647785965 395427931 /nfs/dbraw/zinc/42/79/31/395427931.db2.gz GXUTYDKZTQFGDG-OKZBNKHCSA-N 2 0 272.436 2.824 20 0 CFADRP Fc1cccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000647786671 395427975 /nfs/dbraw/zinc/42/79/75/395427975.db2.gz VJVPLYMFDMOIJT-GRDNDAEWSA-N 2 0 288.410 2.835 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786578 395427980 /nfs/dbraw/zinc/42/79/80/395427980.db2.gz SIJYUGZVKWBQDK-FGTMMUONSA-N 2 0 272.436 2.769 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC(C)C ZINC000647787958 395428733 /nfs/dbraw/zinc/42/87/33/395428733.db2.gz BEBWIELRSOUFPC-TVFCKZIOSA-N 2 0 295.515 2.721 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Oc1cccc(F)c1 ZINC000647788874 395428809 /nfs/dbraw/zinc/42/88/09/395428809.db2.gz UIDPMGAMMHHYDG-HGTKMLMNSA-N 2 0 292.398 2.571 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788107 395428988 /nfs/dbraw/zinc/42/89/88/395428988.db2.gz CKDUORKORXZXSK-QBPKDAKJSA-N 2 0 288.435 2.740 20 0 CFADRP c1ccc(C2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647791771 395429749 /nfs/dbraw/zinc/42/97/49/395429749.db2.gz MSTWDMXYBUXKAK-IJEWVQPXSA-N 2 0 256.393 2.653 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000647793752 395430203 /nfs/dbraw/zinc/43/02/03/395430203.db2.gz HCBVOYDIJFIICM-KZNAEPCWSA-N 2 0 284.447 2.769 20 0 CFADRP Clc1cccc2c1OC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647792033 395430569 /nfs/dbraw/zinc/43/05/69/395430569.db2.gz RPHLYWMKXAYKST-ZAZJYDDPSA-N 2 0 292.810 2.751 20 0 CFADRP Clc1ccccc1OCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793642 395430639 /nfs/dbraw/zinc/43/06/39/395430639.db2.gz CKMOOHRHYBZJBX-HZSPNIEDSA-N 2 0 294.826 2.697 20 0 CFADRP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000647793848 395431128 /nfs/dbraw/zinc/43/11/28/395431128.db2.gz JTGARYXPFZEELZ-JEDBISTDSA-N 2 0 284.447 2.769 20 0 CFADRP Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647795297 395431935 /nfs/dbraw/zinc/43/19/35/395431935.db2.gz MYXBUNPSDDNAOC-JXFSHQFZSA-N 2 0 290.382 2.627 20 0 CFADRP FC1(F)CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647797010 395432660 /nfs/dbraw/zinc/43/26/60/395432660.db2.gz UOXYTGIDWRYGHZ-MGPQQGTHSA-N 2 0 272.383 2.790 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[C@@H]1C1CC1 ZINC000647799888 395433728 /nfs/dbraw/zinc/43/37/28/395433728.db2.gz RZMZLLQCZXBUQX-WRQOLXDDSA-N 2 0 262.441 2.790 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978755 395472409 /nfs/dbraw/zinc/47/24/09/395472409.db2.gz XQZSDDOTUQODNZ-OAGGEKHMSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000647802826 395436148 /nfs/dbraw/zinc/43/61/48/395436148.db2.gz VGHDFPVJZNBLKF-RYUDHWBXSA-N 2 0 250.361 2.920 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815338 395438874 /nfs/dbraw/zinc/43/88/74/395438874.db2.gz ZZIGNSXGHALGKG-WMLDXEAASA-N 2 0 280.456 2.798 20 0 CFADRP Fc1cccc(CCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814730 395439373 /nfs/dbraw/zinc/43/93/73/395439373.db2.gz BQRZFWVAXKLDKA-UHFFFAOYSA-N 2 0 276.399 2.975 20 0 CFADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000649414168 395489779 /nfs/dbraw/zinc/48/97/79/395489779.db2.gz KGJIYJIWDKDUEK-WBVHZDCISA-N 2 0 287.451 2.717 20 0 CFADRP Cc1ncsc1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417789 395490383 /nfs/dbraw/zinc/49/03/83/395490383.db2.gz HCDMIMQRFYCRLX-GJZGRUSLSA-N 2 0 293.480 2.706 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649418001 395490588 /nfs/dbraw/zinc/49/05/88/395490588.db2.gz UGXPMBDZLOREER-DJIMGWMZSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072351 395497127 /nfs/dbraw/zinc/49/71/27/395497127.db2.gz ZKXVEHUVGFPJMS-CVEARBPZSA-N 2 0 280.456 2.609 20 0 CFADRP COc1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000037209338 543027419 /nfs/dbraw/zinc/02/74/19/543027419.db2.gz MXLKSJHVNWSVBR-AWEZNQCLSA-N 2 0 276.424 2.558 20 0 CFADRP CC(C)O[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000649699068 395554082 /nfs/dbraw/zinc/55/40/82/395554082.db2.gz IGLOPQAJHFJKDA-HZPDHXFCSA-N 2 0 268.445 2.750 20 0 CFADRP C(COCC[NH2+]C1(C2CCC2)CC1)[NH2+]C1(C2CCC2)CC1 ZINC000649810248 395573818 /nfs/dbraw/zinc/57/38/18/395573818.db2.gz AKFZTLDVMMZUOQ-UHFFFAOYSA-N 2 0 292.467 2.848 20 0 CFADRP CCOc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000037679514 543030557 /nfs/dbraw/zinc/03/05/57/543030557.db2.gz QFNOUTNXUOMOPM-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP CCOC(=O)C1(C)CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000423440623 285655716 /nfs/dbraw/zinc/65/57/16/285655716.db2.gz UBGZSLVHMXMVGG-VQCLRJIVSA-N 2 0 284.444 2.606 20 0 CFADRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000311722616 413088424 /nfs/dbraw/zinc/08/84/24/413088424.db2.gz PPPPWEOQXZHRPA-HOCLYGCPSA-N 2 0 262.372 2.695 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000312993650 413093755 /nfs/dbraw/zinc/09/37/55/413093755.db2.gz XZNZVLKGUYHLGA-KBPBESRZSA-N 2 0 294.826 2.650 20 0 CFADRP C[C@@H]1c2ccsc2CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251198182 289097559 /nfs/dbraw/zinc/09/75/59/289097559.db2.gz FRZHOPVXLOAEHU-NEPJUHHUSA-N 2 0 250.411 2.667 20 0 CFADRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000313415008 413096221 /nfs/dbraw/zinc/09/62/21/413096221.db2.gz SNTMCHVNIVUDJS-QGZVFWFLSA-N 2 0 295.515 2.961 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000401004467 413161421 /nfs/dbraw/zinc/16/14/21/413161421.db2.gz CXAZLPXUUXCLIY-QLFBSQMISA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000423382140 292110669 /nfs/dbraw/zinc/11/06/69/292110669.db2.gz DGNMQUSULBAFHI-OLMNPRSZSA-N 2 0 272.436 2.904 20 0 CFADRP Fc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000401163030 413163138 /nfs/dbraw/zinc/16/31/38/413163138.db2.gz UBVHTRHTRVVRLH-YNEHKIRRSA-N 2 0 282.790 2.957 20 0 CFADRP CC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309963407 397645942 /nfs/dbraw/zinc/64/59/42/397645942.db2.gz JOLCFJRUEBBTMK-ROUUACIJSA-N 2 0 290.451 2.649 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH2+]C)C1(C)C ZINC000650757992 397885261 /nfs/dbraw/zinc/88/52/61/397885261.db2.gz GKBBHKKCOYPWJI-HOTGVXAUSA-N 2 0 276.424 2.699 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000650758830 397885290 /nfs/dbraw/zinc/88/52/90/397885290.db2.gz YKQJTEZEZGLJPJ-CYBMUJFWSA-N 2 0 298.386 2.986 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000650757535 397885322 /nfs/dbraw/zinc/88/53/22/397885322.db2.gz ZBARCSNKQWHPHK-AWEZNQCLSA-N 2 0 269.392 2.960 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650759136 397885627 /nfs/dbraw/zinc/88/56/27/397885627.db2.gz DQRDIAXFDGTFRU-OIISXLGYSA-N 2 0 287.451 2.781 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc3N2)CC[N@@H+]1C ZINC000650760632 397886297 /nfs/dbraw/zinc/88/62/97/397886297.db2.gz JBQCLSJIURVXQA-OIISXLGYSA-N 2 0 287.451 2.876 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C12CCCC2 ZINC000650762502 397887003 /nfs/dbraw/zinc/88/70/03/397887003.db2.gz CEALEKFFJVOKEO-HOTGVXAUSA-N 2 0 280.456 2.704 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703469 397859648 /nfs/dbraw/zinc/85/96/48/397859648.db2.gz AXEROPHATJVUFW-PBHICJAKSA-N 2 0 258.409 2.782 20 0 CFADRP CC[NH2+]CC1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000650703021 397859797 /nfs/dbraw/zinc/85/97/97/397859797.db2.gz GKHGIXLQEIOPET-UHFFFAOYSA-N 2 0 272.436 2.997 20 0 CFADRP c1cc2c(c(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c1)CCC2 ZINC000650703898 397859984 /nfs/dbraw/zinc/85/99/84/397859984.db2.gz WZBDUEGBUQXGFO-SFHVURJKSA-N 2 0 270.420 2.751 20 0 CFADRP Cc1ccccc1C1([NH2+]CC2CC[NH2+]CC2)CCC1 ZINC000650704073 397860516 /nfs/dbraw/zinc/86/05/16/397860516.db2.gz FWJYZRUAOSNMSG-UHFFFAOYSA-N 2 0 258.409 2.963 20 0 CFADRP Cc1ccsc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706778 397860912 /nfs/dbraw/zinc/86/09/12/397860912.db2.gz SBJLGOZBJBTBSK-SOUVJXGZSA-N 2 0 294.464 2.775 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)C1(C)C ZINC000650763187 397887834 /nfs/dbraw/zinc/88/78/34/397887834.db2.gz TYLNFDOKWSIQCZ-LSDHHAIUSA-N 2 0 268.445 2.558 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH2+]CC1)CC2 ZINC000650763493 397887902 /nfs/dbraw/zinc/88/79/02/397887902.db2.gz BQYQWHLHYHDGKO-KRWDZBQOSA-N 2 0 258.409 2.962 20 0 CFADRP C[C@H]1C[N@H+](CCC[NH3+])CCc2ccc(Cl)cc21 ZINC000650710128 397862726 /nfs/dbraw/zinc/86/27/26/397862726.db2.gz FDYLPFLHJOTKPV-NSHDSACASA-N 2 0 252.789 2.650 20 0 CFADRP COc1ccsc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711349 397863647 /nfs/dbraw/zinc/86/36/47/397863647.db2.gz QIMAOIPZSKDNKK-NWDGAFQWSA-N 2 0 268.426 2.706 20 0 CFADRP CCCCC[N@H+](CCN[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000650710681 397863678 /nfs/dbraw/zinc/86/36/78/397863678.db2.gz WTHGXYLJCAIYFV-SFHVURJKSA-N 2 0 289.467 2.630 20 0 CFADRP Cc1cccn2c(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cnc12 ZINC000650711305 397864156 /nfs/dbraw/zinc/86/41/56/397864156.db2.gz PAVWDCTUGDHASO-BBRMVZONSA-N 2 0 286.423 2.592 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000650714100 397865685 /nfs/dbraw/zinc/86/56/85/397865685.db2.gz REKKBGHYYDQRAF-UHFFFAOYSA-N 2 0 279.384 2.654 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000650718350 397868316 /nfs/dbraw/zinc/86/83/16/397868316.db2.gz ICXJLRMZIHPLPT-UHFFFAOYSA-N 2 0 297.402 2.654 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000650718313 397868343 /nfs/dbraw/zinc/86/83/43/397868343.db2.gz GSJIBLJEVKFPRY-UHFFFAOYSA-N 2 0 286.423 2.647 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000650718221 397868456 /nfs/dbraw/zinc/86/84/56/397868456.db2.gz CTCBGSRRRHIONF-UHFFFAOYSA-N 2 0 276.330 2.974 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000650719704 397869128 /nfs/dbraw/zinc/86/91/28/397869128.db2.gz ZXPKYZULCMVEHW-SJORKVTESA-N 2 0 276.424 2.699 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c(F)c1 ZINC000650763655 397888481 /nfs/dbraw/zinc/88/84/81/397888481.db2.gz GNYPRLRSQULKET-GFCCVEGCSA-N 2 0 280.387 2.875 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000650719907 397869241 /nfs/dbraw/zinc/86/92/41/397869241.db2.gz AHEUJXAPAWVVBQ-QAPCUYQASA-N 3 0 289.467 2.806 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccccc2F)C1 ZINC000650721791 397870153 /nfs/dbraw/zinc/87/01/53/397870153.db2.gz BMHRVAVITKEQAY-HYVNUMGLSA-N 2 0 292.398 2.687 20 0 CFADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721963 397870331 /nfs/dbraw/zinc/87/03/31/397870331.db2.gz HIIFOWNPBNTGTI-KZNAEPCWSA-N 2 0 288.435 2.856 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000650722037 397870490 /nfs/dbraw/zinc/87/04/90/397870490.db2.gz JCIZMAIUZYFMNI-ZACQAIPSSA-N 2 0 292.398 2.687 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c(F)c1 ZINC000650763656 397888604 /nfs/dbraw/zinc/88/86/04/397888604.db2.gz GNYPRLRSQULKET-LBPRGKRZSA-N 2 0 280.387 2.875 20 0 CFADRP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCc2ccc(F)cc21 ZINC000650724474 397871109 /nfs/dbraw/zinc/87/11/09/397871109.db2.gz HAOWHJQPYPHQMF-KGLIPLIRSA-N 2 0 276.399 2.787 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650722524 397871403 /nfs/dbraw/zinc/87/14/03/397871403.db2.gz VZXMDHCIWFXZLG-IMJJTQAJSA-N 2 0 294.464 2.917 20 0 CFADRP CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650722832 397871623 /nfs/dbraw/zinc/87/16/23/397871623.db2.gz CCBSCXVWLKYEIX-CAOSSQGBSA-N 2 0 268.445 2.783 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2F)CCC1 ZINC000650741033 397875853 /nfs/dbraw/zinc/87/58/53/397875853.db2.gz WOMXYDCRWACCOZ-GJZGRUSLSA-N 2 0 262.372 2.717 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000650741037 397875960 /nfs/dbraw/zinc/87/59/60/397875960.db2.gz WOUHDRJUQPEXBV-IAGOWNOFSA-N 2 0 275.440 2.699 20 0 CFADRP CC[C@H](OCC[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000650741380 397876109 /nfs/dbraw/zinc/87/61/09/397876109.db2.gz CIIPAOCYXWGXAM-ULQDDVLXSA-N 2 0 276.424 2.871 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000650742377 397876806 /nfs/dbraw/zinc/87/68/06/397876806.db2.gz WQMPNEXIEJMAMS-BSWAZPDLSA-N 2 0 258.409 2.958 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1F ZINC000650744575 397878208 /nfs/dbraw/zinc/87/82/08/397878208.db2.gz QYXMNIGMKDNZOS-NSHDSACASA-N 2 0 266.360 2.614 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CCC2 ZINC000650744559 397878377 /nfs/dbraw/zinc/87/83/77/397878377.db2.gz QAUQAHQOOYZTQL-MRXNPFEDSA-N 2 0 274.408 2.791 20 0 CFADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1N(C)C ZINC000650745641 397878981 /nfs/dbraw/zinc/87/89/81/397878981.db2.gz LBGKKGGIJOIRAG-GFCCVEGCSA-N 2 0 279.403 2.671 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000650745149 397878997 /nfs/dbraw/zinc/87/89/97/397878997.db2.gz APXGLCZZLSLZMO-AWEZNQCLSA-N 2 0 266.335 2.671 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000650745786 397879059 /nfs/dbraw/zinc/87/90/59/397879059.db2.gz NVZSNUZIGIWPNJ-AWEZNQCLSA-N 2 0 260.381 2.619 20 0 CFADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)C1CCC(F)(F)CC1 ZINC000650746776 397879558 /nfs/dbraw/zinc/87/95/58/397879558.db2.gz KWNDNYUILGHOOS-NSHDSACASA-N 2 0 260.372 2.919 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650747215 397880019 /nfs/dbraw/zinc/88/00/19/397880019.db2.gz UWBJBIIFZVIFHT-IAOVAPTHSA-N 2 0 288.435 2.906 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650747591 397880055 /nfs/dbraw/zinc/88/00/55/397880055.db2.gz CYWQLEPCXDTBQY-XJKSGUPXSA-N 2 0 296.418 2.536 20 0 CFADRP [NH3+]CC1(CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000650747761 397880066 /nfs/dbraw/zinc/88/00/66/397880066.db2.gz HAPLXWUPFOMHPY-UHFFFAOYSA-N 2 0 280.456 2.975 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCc2ccc(F)cc21 ZINC000650513779 397817553 /nfs/dbraw/zinc/81/75/53/397817553.db2.gz IMFRTNCFQWOART-CYBMUJFWSA-N 2 0 276.399 2.787 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000650756541 397884589 /nfs/dbraw/zinc/88/45/89/397884589.db2.gz DAAVJIWFOSVKSQ-CQSZACIVSA-N 2 0 284.403 2.749 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c(F)c1 ZINC000650756232 397884615 /nfs/dbraw/zinc/88/46/15/397884615.db2.gz XCKJEWHKTXTLEZ-ZBFHGGJFSA-N 2 0 262.372 2.953 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423020919 296576594 /nfs/dbraw/zinc/57/65/94/296576594.db2.gz DEEJFTVANXVUBC-KBXIAJHMSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)[C@H]1CC[NH3+] ZINC000404259270 413192944 /nfs/dbraw/zinc/19/29/44/413192944.db2.gz CTYPSUXOEJOYNJ-CJNGLKHVSA-N 2 0 274.408 2.571 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404325000 413198437 /nfs/dbraw/zinc/19/84/37/413198437.db2.gz UJLJMYHAWJSCGU-GDBMZVCRSA-N 2 0 276.424 2.953 20 0 CFADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1C ZINC000404422224 413200999 /nfs/dbraw/zinc/20/09/99/413200999.db2.gz JGPMLWFUHWWQBF-WBMJQRKESA-N 2 0 291.439 2.656 20 0 CFADRP COc1cccc2c(N[C@H]3CC[N@@H+](C4CC4)C3)ccnc12 ZINC000663425828 413202894 /nfs/dbraw/zinc/20/28/94/413202894.db2.gz XAKZWFDOHXSBEF-LBPRGKRZSA-N 2 0 283.375 2.892 20 0 CFADRP Cc1ccc2[nH+]ccc(N[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000663424979 413204389 /nfs/dbraw/zinc/20/43/89/413204389.db2.gz MNLBYMFSJFOKCR-ZDUSSCGKSA-N 2 0 267.376 2.614 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423344218 286023459 /nfs/dbraw/zinc/02/34/59/286023459.db2.gz OCABOEMSSJEVLY-HYVNUMGLSA-N 2 0 276.424 2.742 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373293636 286024750 /nfs/dbraw/zinc/02/47/50/286024750.db2.gz OCXRQZINWQVOIF-RANZSIQMSA-N 2 0 288.435 2.979 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1C[NH3+] ZINC000405423261 413223649 /nfs/dbraw/zinc/22/36/49/413223649.db2.gz FAPCSIMNSDSQMU-IUODEOHRSA-N 2 0 290.432 2.697 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000663465564 413224283 /nfs/dbraw/zinc/22/42/83/413224283.db2.gz KMGRVRGHQYOGKF-WMZOPIPTSA-N 2 0 294.483 2.903 20 0 CFADRP Cc1cccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784819 413224474 /nfs/dbraw/zinc/22/44/74/413224474.db2.gz CRWCYRQLTLBSJV-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP C[NH2+]Cc1ccccc1NCc1ccc2c(c1)C[NH2+]CC2 ZINC000656786110 413224511 /nfs/dbraw/zinc/22/45/11/413224511.db2.gz KOFVPWUZMMWWGC-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656784563 413223820 /nfs/dbraw/zinc/22/38/20/413223820.db2.gz FGNFQKMQAXIQOA-HNNXBMFYSA-N 2 0 264.438 2.960 20 0 CFADRP Cc1ncsc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784376 413225031 /nfs/dbraw/zinc/22/50/31/413225031.db2.gz CTHGOIRIXNOTGB-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000358269250 286048949 /nfs/dbraw/zinc/04/89/49/286048949.db2.gz UMKDRYKBKROLHB-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656784565 413226068 /nfs/dbraw/zinc/22/60/68/413226068.db2.gz FGNFQKMQAXIQOA-OAHLLOKOSA-N 2 0 264.438 2.960 20 0 CFADRP CCCn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656784780 413226846 /nfs/dbraw/zinc/22/68/46/413226846.db2.gz HGJPPKMMDSCPLX-KRWDZBQOSA-N 2 0 290.455 2.505 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656786591 413229349 /nfs/dbraw/zinc/22/93/49/413229349.db2.gz UYWMTJPVSDOSMH-CQSZACIVSA-N 2 0 279.453 2.663 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000656786789 413228587 /nfs/dbraw/zinc/22/85/87/413228587.db2.gz QOHWGCKAKPFYIO-INIZCTEOSA-N 2 0 273.424 2.602 20 0 CFADRP CC[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1nccn1C ZINC000663468769 413230819 /nfs/dbraw/zinc/23/08/19/413230819.db2.gz MQFISUINICLWCE-JKSUJKDBSA-N 2 0 290.455 2.583 20 0 CFADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656786741 413231384 /nfs/dbraw/zinc/23/13/84/413231384.db2.gz PYEGJXMKNZLFPV-CQSZACIVSA-N 3 0 295.430 2.642 20 0 CFADRP C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1nccs1 ZINC000663468257 413230938 /nfs/dbraw/zinc/23/09/38/413230938.db2.gz KZTOBSULTGOMNN-TZMCWYRMSA-N 2 0 279.453 2.916 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1(C)C ZINC000358768125 286100400 /nfs/dbraw/zinc/10/04/00/286100400.db2.gz FPRBUVBHWDOKIQ-KGLIPLIRSA-N 2 0 268.445 2.652 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1 ZINC000656789517 413235638 /nfs/dbraw/zinc/23/56/38/413235638.db2.gz PHZVOIWFOLTFKR-CQSZACIVSA-N 2 0 276.424 2.877 20 0 CFADRP COc1cccc([C@@]2(C)CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000656792859 413239604 /nfs/dbraw/zinc/23/96/04/413239604.db2.gz ZIWNUZANRPKZFQ-ROUUACIJSA-N 2 0 288.435 2.658 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414895572 292215215 /nfs/dbraw/zinc/21/52/15/292215215.db2.gz XWTHSESCYQTYMA-GVDBMIGSSA-N 2 0 258.409 2.958 20 0 CFADRP CCOC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000189345483 286139900 /nfs/dbraw/zinc/13/99/00/286139900.db2.gz BWNGGUVEVRZAOS-OAHLLOKOSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000663497957 413240605 /nfs/dbraw/zinc/24/06/05/413240605.db2.gz IYXPHLFRVBEBGL-OAHLLOKOSA-N 2 0 272.396 2.540 20 0 CFADRP c1ccc(C[C@H]2CC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2)cc1 ZINC000663501511 413244101 /nfs/dbraw/zinc/24/41/01/413244101.db2.gz WYYZNVOIQQWGNK-ZLZJIPBDSA-N 2 0 270.420 2.739 20 0 CFADRP CO[C@]1(C)C[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000420305839 286166735 /nfs/dbraw/zinc/16/67/35/286166735.db2.gz QBWVAPDNSPVOKL-IJEWVQPXSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663503115 413248672 /nfs/dbraw/zinc/24/86/72/413248672.db2.gz ODNXDXAXSGINCQ-DZGCQCFKSA-N 2 0 264.413 2.589 20 0 CFADRP Cc1cnn([C@@H]2CC[N@H+](CCCc3ccc(C)nc3)C2)c1 ZINC000356521696 155291346 /nfs/dbraw/zinc/29/13/46/155291346.db2.gz JRBGXTOMOUVNLK-QGZVFWFLSA-N 2 0 284.407 2.775 20 0 CFADRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663502714 413248920 /nfs/dbraw/zinc/24/89/20/413248920.db2.gz KRXGQEYASZPZJH-UKRRQHHQSA-N 2 0 294.439 2.598 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000663504310 413249189 /nfs/dbraw/zinc/24/91/89/413249189.db2.gz YYCRGHKTFNBSHD-UKRRQHHQSA-N 2 0 288.439 2.847 20 0 CFADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663502354 413251064 /nfs/dbraw/zinc/25/10/64/413251064.db2.gz HBKKXQWNJMPQCE-LSDHHAIUSA-N 2 0 291.439 2.675 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000663504045 413249823 /nfs/dbraw/zinc/24/98/23/413249823.db2.gz VKYNNOZCAGVBPX-MRXNPFEDSA-N 2 0 276.424 2.517 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000663504064 413251666 /nfs/dbraw/zinc/25/16/66/413251666.db2.gz VQRVJFJOXJDXSF-DZGCQCFKSA-N 2 0 292.423 2.699 20 0 CFADRP COCC1(C[NH2+][C@@H](C)c2cc(C)ccc2C)CC[NH2+]CC1 ZINC000423389402 292246523 /nfs/dbraw/zinc/24/65/23/292246523.db2.gz LOJLFWJSJLXMSZ-INIZCTEOSA-N 2 0 290.451 2.970 20 0 CFADRP COCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000353545791 292248530 /nfs/dbraw/zinc/24/85/30/292248530.db2.gz DZILFAWTCGYNKN-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP COCC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000353539248 292248037 /nfs/dbraw/zinc/24/80/37/292248037.db2.gz KNYHCBASNNLFNF-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C12CCCC2 ZINC000423346800 286284355 /nfs/dbraw/zinc/28/43/55/286284355.db2.gz QGTFYWQFYUXDHV-OAGGEKHMSA-N 2 0 280.456 2.704 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C12CCCCC2 ZINC000423363186 286282394 /nfs/dbraw/zinc/28/23/94/286282394.db2.gz NQJYCYDEHSVNOL-BZUAXINKSA-N 2 0 280.456 2.846 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C12CCCCC2 ZINC000423267709 286283333 /nfs/dbraw/zinc/28/33/33/286283333.db2.gz FPAFNESULLSWST-RBSFLKMASA-N 2 0 268.445 2.687 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1(CC)CC ZINC000422840372 286289688 /nfs/dbraw/zinc/28/96/88/286289688.db2.gz SQTQLGHGMAITPQ-RBSFLKMASA-N 2 0 268.445 2.702 20 0 CFADRP COc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cn1 ZINC000436271452 286311601 /nfs/dbraw/zinc/31/16/01/286311601.db2.gz DHCPOYNMRUXJPY-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP COCC1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000449089183 292264034 /nfs/dbraw/zinc/26/40/34/292264034.db2.gz JUAWKLRXHHBDDE-QQFBHYJXSA-N 2 0 268.445 2.513 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000414718518 286333390 /nfs/dbraw/zinc/33/33/90/286333390.db2.gz ZFJUZPNTFRTHFD-CBBWQLFWSA-N 2 0 268.445 2.510 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c(C)c1 ZINC000423252820 286355155 /nfs/dbraw/zinc/35/51/55/286355155.db2.gz UVBFWWVIHMIEOB-ZIAGYGMSSA-N 2 0 262.397 2.654 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356825771 155381433 /nfs/dbraw/zinc/38/14/33/155381433.db2.gz ASFJZSKZPLZNNJ-HRCADAONSA-N 2 0 270.461 2.902 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000423370707 286370080 /nfs/dbraw/zinc/37/00/80/286370080.db2.gz PSIVCGIWHCHIQJ-BFHYXJOUSA-N 2 0 262.397 2.924 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356840490 155389574 /nfs/dbraw/zinc/38/95/74/155389574.db2.gz JGVGFIITDOBCLP-HZPDHXFCSA-N 2 0 270.461 2.903 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(CC)CC ZINC000425943170 286387629 /nfs/dbraw/zinc/38/76/29/286387629.db2.gz PZVDKAMUFIIIHF-QLFBSQMISA-N 2 0 270.461 2.758 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C12CCCC2 ZINC000423463440 286389019 /nfs/dbraw/zinc/38/90/19/286389019.db2.gz FZXWZBADIYSKPT-FXUDXRNXSA-N 2 0 280.456 2.831 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCCC2)C12CCC2 ZINC000181517116 286385637 /nfs/dbraw/zinc/38/56/37/286385637.db2.gz KOQOZXQAYWTJMC-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCCC[NH3+])C12CCCC2 ZINC000422808331 286394584 /nfs/dbraw/zinc/39/45/84/286394584.db2.gz QCVQCYXZTJSLNR-SOUVJXGZSA-N 2 0 268.445 2.831 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@@H]3CCN(c4ccccc4)C3)ccc12 ZINC000656980593 413283803 /nfs/dbraw/zinc/28/38/03/413283803.db2.gz GPHJUTRNSUTXPZ-MRXNPFEDSA-N 2 0 292.386 2.703 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C12CCCC2 ZINC000422805338 286404676 /nfs/dbraw/zinc/40/46/76/286404676.db2.gz LYLNJSZKHZKQOE-FXUDXRNXSA-N 2 0 280.456 2.974 20 0 CFADRP CC[N@@H+]1C[C@H](C)[C@H](NCCC[NH+](C)C2CCCCC2)C1 ZINC000343087049 154109729 /nfs/dbraw/zinc/10/97/29/154109729.db2.gz UKVSONPXJJLXIC-DOTOQJQBSA-N 2 0 281.488 2.571 20 0 CFADRP CCN1C[C@H](C)[C@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000343165902 154130927 /nfs/dbraw/zinc/13/09/27/154130927.db2.gz PIYFLLSZNDKFIP-DOTOQJQBSA-N 2 0 285.435 2.961 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCCC1 ZINC000422889932 292307780 /nfs/dbraw/zinc/30/77/80/292307780.db2.gz QWPQSEAIKZEMPB-LSDHHAIUSA-N 2 0 268.445 2.561 20 0 CFADRP COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CCC1 ZINC000367747553 292307824 /nfs/dbraw/zinc/30/78/24/292307824.db2.gz UJXBGPIKJHKKNJ-ARFHVFGLSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1ccncc1CCC[N@@H+](C)[C@H]1CCCC[C@@H]1O ZINC000348177929 154351374 /nfs/dbraw/zinc/35/13/74/154351374.db2.gz YWSSWLZMLCDRDN-HOTGVXAUSA-N 2 0 262.397 2.558 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000247150504 286442258 /nfs/dbraw/zinc/44/22/58/286442258.db2.gz RMPYTMSGPVLXBZ-RBSFLKMASA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)C[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000355692084 155063860 /nfs/dbraw/zinc/06/38/60/155063860.db2.gz KPIQAXCWLQYWLX-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]CC2(C)CC[NH+](C)CC2)CCO1 ZINC000355769662 155080756 /nfs/dbraw/zinc/08/07/56/155080756.db2.gz RIDNTACZGFGMNN-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccsc2)O1 ZINC000359186200 156016906 /nfs/dbraw/zinc/01/69/06/156016906.db2.gz HEMQRUXERCLHSF-XJKSGUPXSA-N 2 0 294.464 2.900 20 0 CFADRP C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359201333 156020599 /nfs/dbraw/zinc/02/05/99/156020599.db2.gz ZXKBMFFMGWZIEV-YJBOKZPZSA-N 2 0 288.435 2.838 20 0 CFADRP Fc1ccc2cc(C[NH2+]CCC[NH+]3CCCC3)[nH]c2c1 ZINC000362924747 156116023 /nfs/dbraw/zinc/11/60/23/156116023.db2.gz ZOBUIJDHWAAJFI-UHFFFAOYSA-N 2 0 275.371 2.883 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OC ZINC000362974748 156132490 /nfs/dbraw/zinc/13/24/90/156132490.db2.gz BPPJRDFEEDOEMA-YOEHRIQHSA-N 2 0 291.439 2.701 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000362977553 156134899 /nfs/dbraw/zinc/13/48/99/156134899.db2.gz RVNAOASVOFONPI-QKPAOTATSA-N 2 0 268.445 2.558 20 0 CFADRP c1ccc(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363414611 156175631 /nfs/dbraw/zinc/17/56/31/156175631.db2.gz PLSYXSUAGCIBLK-FGTMMUONSA-N 2 0 270.420 2.645 20 0 CFADRP CSCC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000363621032 156189087 /nfs/dbraw/zinc/18/90/87/156189087.db2.gz RINLNWHHMFJOHU-UHFFFAOYSA-N 2 0 270.486 2.793 20 0 CFADRP C[NH+](C)[C@@H]1CCC[N@H+](CCSC(C)(C)C)CC1 ZINC000367251025 156301885 /nfs/dbraw/zinc/30/18/85/156301885.db2.gz BWNJKZJVYNRWHX-CYBMUJFWSA-N 2 0 258.475 2.934 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](CCSC3CCCCC3)C[C@@H]2C1 ZINC000367250739 156301916 /nfs/dbraw/zinc/30/19/16/156301916.db2.gz LUYVYOWPBIDOAP-OKILXGFUSA-N 2 0 268.470 2.546 20 0 CFADRP CCc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000367593234 156356428 /nfs/dbraw/zinc/35/64/28/156356428.db2.gz GVYHWKMSAVVYRB-KFWWJZLASA-N 2 0 293.480 2.710 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)[C@@H]2CCC[C@H]21 ZINC000367611568 156361959 /nfs/dbraw/zinc/36/19/59/156361959.db2.gz CFFANPKPEPNNRV-HRCADAONSA-N 2 0 280.362 2.927 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@H]2CCC[C@@H]21 ZINC000367615744 156364274 /nfs/dbraw/zinc/36/42/74/156364274.db2.gz MAXBCQFXHQLXQY-IKGGRYGDSA-N 2 0 276.399 2.831 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](C)N(C)c1ccccc1 ZINC000422867212 289460327 /nfs/dbraw/zinc/46/03/27/289460327.db2.gz RVJNUVUSDQJDLU-HUUCEWRRSA-N 2 0 263.429 2.618 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCC[NH3+])CCCO2 ZINC000423446402 292353168 /nfs/dbraw/zinc/35/31/68/292353168.db2.gz CNWBUWITGSFAJE-ZFWWWQNUSA-N 2 0 262.397 2.926 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1(C)C ZINC000373521155 157001989 /nfs/dbraw/zinc/00/19/89/157001989.db2.gz KGKMXQLKJXKZJY-FJBKBRRZSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1c[nH+]ccc1NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000373832070 157036718 /nfs/dbraw/zinc/03/67/18/157036718.db2.gz MGCSYYBRLRJNID-KRWDZBQOSA-N 2 0 296.418 2.531 20 0 CFADRP CCC[N@@H+]1CCCN(CCCc2cnccc2C)CC1 ZINC000373904843 157044620 /nfs/dbraw/zinc/04/46/20/157044620.db2.gz JCAJJDYIEPOCLX-UHFFFAOYSA-N 2 0 275.440 2.740 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC23CCOCC3)c1 ZINC000374320883 157099814 /nfs/dbraw/zinc/09/98/14/157099814.db2.gz NPCHWVYKZVPZQA-QGZVFWFLSA-N 2 0 288.435 2.797 20 0 CFADRP C1CC1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000374499701 157122955 /nfs/dbraw/zinc/12/29/55/157122955.db2.gz DASGODMMTDGTAK-ZWKOTPCHSA-N 2 0 292.467 2.941 20 0 CFADRP COCCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374907056 157171279 /nfs/dbraw/zinc/17/12/79/157171279.db2.gz CGGKAHOEPPNGCD-WBVHZDCISA-N 2 0 276.424 2.523 20 0 CFADRP CC/C=C/CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375094799 157195265 /nfs/dbraw/zinc/19/52/65/157195265.db2.gz RBPBARXEBGICPB-AATRIKPKSA-N 2 0 293.499 2.692 20 0 CFADRP C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000375350294 157230880 /nfs/dbraw/zinc/23/08/80/157230880.db2.gz UWMKXSFYUIVSEM-CVEARBPZSA-N 2 0 266.429 2.506 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2cnccn2)CC1 ZINC000375673714 157267115 /nfs/dbraw/zinc/26/71/15/157267115.db2.gz QUNIEORBCWOGTK-MRXNPFEDSA-N 2 0 288.439 2.530 20 0 CFADRP c1cc2c(cc[nH+]c2N[C@H]2CCN(c3ccccn3)C2)[nH]1 ZINC000663740722 413350160 /nfs/dbraw/zinc/35/01/60/413350160.db2.gz IKQXKDGKULHZHH-LBPRGKRZSA-N 2 0 279.347 2.649 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000653559254 413370910 /nfs/dbraw/zinc/37/09/10/413370910.db2.gz RCOFNKCFZGOTGM-KRWDZBQOSA-N 2 0 283.419 2.917 20 0 CFADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660537398 413377866 /nfs/dbraw/zinc/37/78/66/413377866.db2.gz BPVMYBLIOZBTQB-XMTFNYHQSA-N 2 0 293.499 2.523 20 0 CFADRP COc1cccc(O[C@H](C)C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422783314 533677313 /nfs/dbraw/zinc/67/73/13/533677313.db2.gz HEUCPOVCJWMBNJ-UONOGXRCSA-N 2 0 280.412 2.570 20 0 CFADRP c1cc(C[NH2+]C2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657288994 413400335 /nfs/dbraw/zinc/40/03/35/413400335.db2.gz CRKMNHGAFFKVGX-UHFFFAOYSA-N 2 0 256.353 2.690 20 0 CFADRP C[C@@H](CC[N@@H+]1CCn2cncc2C1)OCc1ccccc1 ZINC000660582058 413409878 /nfs/dbraw/zinc/40/98/78/413409878.db2.gz OBBJITUEZVVCOA-HNNXBMFYSA-N 2 0 285.391 2.694 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423537650 298379474 /nfs/dbraw/zinc/37/94/74/298379474.db2.gz DLMZFCQROUVLDX-DDHJBXDOSA-N 2 0 264.335 2.695 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414944173 298384900 /nfs/dbraw/zinc/38/49/00/298384900.db2.gz PBSFVNCDODOERK-HBNTYKKESA-N 2 0 252.324 2.695 20 0 CFADRP CCC1CC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000342694329 161686886 /nfs/dbraw/zinc/68/68/86/161686886.db2.gz DWHCISATSAMZQR-OKEQZYBDSA-N 2 0 280.456 2.533 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)C(C)C ZINC000414306390 286901625 /nfs/dbraw/zinc/90/16/25/286901625.db2.gz XULCTSCUJRBDDP-HUUCEWRRSA-N 2 0 270.461 2.634 20 0 CFADRP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCCC1 ZINC000343927929 161896779 /nfs/dbraw/zinc/89/67/79/161896779.db2.gz KDFNXSUSJQAEPA-CQSZACIVSA-N 2 0 291.439 2.690 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000344688662 162099177 /nfs/dbraw/zinc/09/91/77/162099177.db2.gz VMDLVEWSMMVAAX-WMLDXEAASA-N 2 0 298.434 2.957 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000344704246 162101988 /nfs/dbraw/zinc/10/19/88/162101988.db2.gz VLSOCEAIHSWMRS-JGGQBBKZSA-N 2 0 280.387 2.523 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)Oc1cccc(F)c1 ZINC000344704249 162102779 /nfs/dbraw/zinc/10/27/79/162102779.db2.gz VLSOCEAIHSWMRS-XPKDYRNWSA-N 2 0 280.387 2.523 20 0 CFADRP CC[N@@H+]1C[C@@H](C)N(c2ccncc2Cl)C[C@H]1C ZINC000345145141 162186833 /nfs/dbraw/zinc/18/68/33/162186833.db2.gz DQUPWMFYKXQFRT-GHMZBOCLSA-N 2 0 253.777 2.654 20 0 CFADRP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)cnn1C(C)(C)C ZINC000345290851 162220881 /nfs/dbraw/zinc/22/08/81/162220881.db2.gz CVBSCDYUKAKWFX-ZDUSSCGKSA-N 2 0 280.460 2.939 20 0 CFADRP Fc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000346010540 162297600 /nfs/dbraw/zinc/29/76/00/162297600.db2.gz CQZNEJSJNRFQHX-UHFFFAOYSA-N 2 0 299.393 2.975 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H]([NH3+])C1 ZINC000346070394 162310296 /nfs/dbraw/zinc/31/02/96/162310296.db2.gz MKWHIZYKLUASKT-QGZVFWFLSA-N 2 0 289.467 2.568 20 0 CFADRP CCOC[C@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346218507 162355729 /nfs/dbraw/zinc/35/57/29/162355729.db2.gz MMPCMYMEEAEOCK-ZDUSSCGKSA-N 2 0 291.420 2.792 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000346679803 162487522 /nfs/dbraw/zinc/48/75/22/162487522.db2.gz BCCCPSHNVONGSZ-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP CC[C@@H]1C[C@H](C[NH+]2CCC([NH2+]CC3CC3)CC2)CCO1 ZINC000347117607 162607045 /nfs/dbraw/zinc/60/70/45/162607045.db2.gz WQCIYIUTQQZJBC-NVXWUHKLSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000347952409 162807863 /nfs/dbraw/zinc/80/78/63/162807863.db2.gz DKXPESOXKRPMJU-YQQAZPJKSA-N 2 0 282.472 2.638 20 0 CFADRP COC1CC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000349684508 163002926 /nfs/dbraw/zinc/00/29/26/163002926.db2.gz KNGVBGNWSDXESH-SEEUUAMPSA-N 2 0 288.435 2.807 20 0 CFADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000350176884 163065622 /nfs/dbraw/zinc/06/56/22/163065622.db2.gz PFMXFLRKGKAQBF-UHFFFAOYSA-N 2 0 276.424 2.777 20 0 CFADRP CCCCC[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350254338 163068382 /nfs/dbraw/zinc/06/83/82/163068382.db2.gz OTLOEKRGVJSQIJ-OAHLLOKOSA-N 2 0 256.434 2.609 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000350259410 163070259 /nfs/dbraw/zinc/07/02/59/163070259.db2.gz VLMRDFBFXJZVSV-KRWDZBQOSA-N 2 0 282.472 2.999 20 0 CFADRP CC[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000351220104 163122131 /nfs/dbraw/zinc/12/21/31/163122131.db2.gz DECVDJVNKLJDLQ-KBPBESRZSA-N 2 0 256.459 2.688 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351414423 163130139 /nfs/dbraw/zinc/13/01/39/163130139.db2.gz NFOIIRQAVHWZOO-IRXDYDNUSA-N 2 0 281.488 2.525 20 0 CFADRP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCC1CCCC1)C1CC1 ZINC000351534258 163141535 /nfs/dbraw/zinc/14/15/35/163141535.db2.gz JSIOFQPYKCCELY-QZTJIDSGSA-N 2 0 294.483 2.876 20 0 CFADRP C[C@@H]([NH2+]CCCCF)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000351716544 163180027 /nfs/dbraw/zinc/18/00/27/163180027.db2.gz AGXKDYOYMPVSKN-KGLIPLIRSA-N 2 0 256.409 2.979 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000351863140 163204661 /nfs/dbraw/zinc/20/46/61/163204661.db2.gz SATHSJIPLNPUSF-OCCSQVGLSA-N 2 0 287.432 2.979 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000351918046 163215652 /nfs/dbraw/zinc/21/56/52/163215652.db2.gz FWBHITNWBLFSSN-HNNXBMFYSA-N 2 0 270.461 2.998 20 0 CFADRP C[C@@H](CCCCO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000352782853 163234321 /nfs/dbraw/zinc/23/43/21/163234321.db2.gz JQRLFNBIHJHJLF-HNNXBMFYSA-N 2 0 282.472 2.924 20 0 CFADRP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000352834734 163246659 /nfs/dbraw/zinc/24/66/59/163246659.db2.gz ITTOOOAXTHDFDH-NVXWUHKLSA-N 2 0 293.499 2.594 20 0 CFADRP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000352888578 163262990 /nfs/dbraw/zinc/26/29/90/163262990.db2.gz VIPHVIUHVLRGMI-IAGOWNOFSA-N 2 0 282.472 2.878 20 0 CFADRP C[N@H+](C[C@H]1CCC(C)(C)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352922120 163269990 /nfs/dbraw/zinc/26/99/90/163269990.db2.gz NSJQQWUEFHGGAH-IZGVIRRGSA-N 2 0 266.429 2.501 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2cncc(F)c2)CC[NH+](C)CC1 ZINC000353224637 163319895 /nfs/dbraw/zinc/31/98/95/163319895.db2.gz KVKWSOMTZKEHLI-GFCCVEGCSA-N 2 0 297.443 2.699 20 0 CFADRP CSC1(C[NH2+][C@@H]2CC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000353232527 163322198 /nfs/dbraw/zinc/32/21/98/163322198.db2.gz WDJSCSSFPWOJRG-CHWSQXEVSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C1 ZINC000353317314 163344267 /nfs/dbraw/zinc/34/42/67/163344267.db2.gz VZHHGQANVSHJOZ-YYIAUSFCSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000353454799 163368694 /nfs/dbraw/zinc/36/86/94/163368694.db2.gz MAKCKXVALUBBOW-MLHJIOFPSA-N 2 0 293.499 2.569 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cc(OC)ccc1F ZINC000353514366 163382875 /nfs/dbraw/zinc/38/28/75/163382875.db2.gz GHLKXQALFQHAOJ-UHFFFAOYSA-N 2 0 282.403 2.998 20 0 CFADRP COC(=O)c1csc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000353521198 163384385 /nfs/dbraw/zinc/38/43/85/163384385.db2.gz POIAEVJEEHIXOG-NSHDSACASA-N 2 0 296.436 2.527 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC(O)CC2)CC1 ZINC000353526966 163387052 /nfs/dbraw/zinc/38/70/52/163387052.db2.gz KLTABSYCEFCLIM-UHFFFAOYSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000353542328 163388507 /nfs/dbraw/zinc/38/85/07/163388507.db2.gz WALFGRLKHVWURC-GOEBONIOSA-N 2 0 287.451 2.740 20 0 CFADRP CC[NH+]1CCC([NH2+]CC2(COC)CCCCC2)CC1 ZINC000353542356 163388856 /nfs/dbraw/zinc/38/88/56/163388856.db2.gz WFYHFTVUDAKOST-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000353559166 163393604 /nfs/dbraw/zinc/39/36/04/163393604.db2.gz ZOLGNIOALKECKY-BHYGNILZSA-N 2 0 258.409 2.674 20 0 CFADRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)C1CC1 ZINC000353607615 163405223 /nfs/dbraw/zinc/40/52/23/163405223.db2.gz HIGTXEXVFKVUSF-CYBMUJFWSA-N 2 0 256.459 2.592 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)c(C)c1 ZINC000657334587 413459216 /nfs/dbraw/zinc/45/92/16/413459216.db2.gz DVYMWLRIKPFOIN-CQSZACIVSA-N 2 0 264.413 2.824 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)CO1 ZINC000657335256 413463321 /nfs/dbraw/zinc/46/33/21/413463321.db2.gz AWSUNKKEXSXKMN-IRXDYDNUSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657334808 413463964 /nfs/dbraw/zinc/46/39/64/413463964.db2.gz HSJINCKJYHHNQY-UHFFFAOYSA-N 2 0 280.387 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCO1 ZINC000346467883 287025629 /nfs/dbraw/zinc/02/56/29/287025629.db2.gz UZZHVWBKVWUROW-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H](NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422882644 287023448 /nfs/dbraw/zinc/02/34/48/287023448.db2.gz PIWNVTLNBAXRCA-TVFCKZIOSA-N 2 0 295.515 2.865 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)C1CCSCC1 ZINC000423480046 287026396 /nfs/dbraw/zinc/02/63/96/287026396.db2.gz MRMWEUPMEZKKHV-TZMCWYRMSA-N 2 0 256.459 2.640 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371604380 287037832 /nfs/dbraw/zinc/03/78/32/287037832.db2.gz DEVSFEOZKOAGSQ-RYRKJORJSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C1CCSCC1 ZINC000423421957 287038676 /nfs/dbraw/zinc/03/86/76/287038676.db2.gz KUIYNKMIYLHMLX-MGPQQGTHSA-N 2 0 270.486 2.873 20 0 CFADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657878 413469319 /nfs/dbraw/zinc/46/93/19/413469319.db2.gz BMKJIFGKQOHBHI-SFHVURJKSA-N 2 0 287.451 2.670 20 0 CFADRP COc1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654295 413470301 /nfs/dbraw/zinc/47/03/01/413470301.db2.gz GLZJWYPOBPDWSA-SFHVURJKSA-N 2 0 288.435 2.655 20 0 CFADRP Cc1ccc(CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660658574 413470602 /nfs/dbraw/zinc/47/06/02/413470602.db2.gz FDFOCMYVTOBERE-GOSISDBHSA-N 2 0 272.436 2.955 20 0 CFADRP C[C@@H](c1cccnc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198023 287154015 /nfs/dbraw/zinc/15/40/15/287154015.db2.gz CSMSLBMIZRKXJQ-BBRMVZONSA-N 2 0 259.397 2.607 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnn(C)c2)cc1 ZINC000020146491 171032784 /nfs/dbraw/zinc/03/27/84/171032784.db2.gz GWOQXQCNPKBOPU-UHFFFAOYSA-N 2 0 286.423 2.552 20 0 CFADRP C[C@H](c1ccccn1)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659309 413478129 /nfs/dbraw/zinc/47/81/29/413478129.db2.gz MZELDRKYVSMSOM-ZBFHGGJFSA-N 2 0 259.397 2.560 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CO1 ZINC000657358793 413494567 /nfs/dbraw/zinc/49/45/67/413494567.db2.gz MKNURSZWEYNLTI-JKSUJKDBSA-N 2 0 268.445 2.800 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CO1 ZINC000657363506 413498916 /nfs/dbraw/zinc/49/89/16/413498916.db2.gz POCDIVLWVYVPQW-LSDHHAIUSA-N 2 0 280.387 2.544 20 0 CFADRP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000660695222 413506048 /nfs/dbraw/zinc/50/60/48/413506048.db2.gz FYRFFPPOAMDXGK-SJORKVTESA-N 2 0 296.499 2.885 20 0 CFADRP CC(C)[C@@H](C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657369690 413509180 /nfs/dbraw/zinc/50/91/80/413509180.db2.gz BXFMROXXOCQNDS-ZDUSSCGKSA-N 2 0 258.369 2.649 20 0 CFADRP CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657389468 413539704 /nfs/dbraw/zinc/53/97/04/413539704.db2.gz XNABGWULUWQDCH-UHFFFAOYSA-N 2 0 256.353 2.547 20 0 CFADRP CCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657392344 413544627 /nfs/dbraw/zinc/54/46/27/413544627.db2.gz VNKNTIFRTLXNGZ-UHFFFAOYSA-N 2 0 270.380 2.937 20 0 CFADRP COC[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000651668321 413552234 /nfs/dbraw/zinc/55/22/34/413552234.db2.gz GSMLVVBTXHKSBI-CYBMUJFWSA-N 2 0 258.450 2.615 20 0 CFADRP c1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c1)CCC2 ZINC000651675895 413561985 /nfs/dbraw/zinc/56/19/85/413561985.db2.gz HWPKIHCGKLPYEU-CQSZACIVSA-N 2 0 270.420 2.749 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000651676865 413562755 /nfs/dbraw/zinc/56/27/55/413562755.db2.gz QFQDVYORDDWTGU-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705797 413582832 /nfs/dbraw/zinc/58/28/32/413582832.db2.gz GOKBIXPHXNOUCZ-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000651713887 413585428 /nfs/dbraw/zinc/58/54/28/413585428.db2.gz IPDOZZMZCNTORJ-IXDOHACOSA-N 2 0 282.472 2.782 20 0 CFADRP CCC1(CC)CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000651721110 413590963 /nfs/dbraw/zinc/59/09/63/413590963.db2.gz SMQGGDMLCMOXHM-UHFFFAOYSA-N 2 0 282.472 2.782 20 0 CFADRP CCC1(CC)CCC([NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000651739440 413603441 /nfs/dbraw/zinc/60/34/41/413603441.db2.gz VQQCERDDEBUJFN-HNNXBMFYSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCC3)C1(C)C ZINC000657435803 413604287 /nfs/dbraw/zinc/60/42/87/413604287.db2.gz KQTRUVMOAPVVPT-UONOGXRCSA-N 2 0 277.412 2.511 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000651794366 413645067 /nfs/dbraw/zinc/64/50/67/413645067.db2.gz WFCHHEXMRNFLJT-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4cnccc4o3)C2)CC1 ZINC000651809026 413654981 /nfs/dbraw/zinc/65/49/81/413654981.db2.gz LNOXOWPLJANSFC-OAHLLOKOSA-N 2 0 299.418 2.992 20 0 CFADRP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n(CC2CC2)n1 ZINC000657474197 413655699 /nfs/dbraw/zinc/65/56/99/413655699.db2.gz BKLDNJHBUNFWEA-UHFFFAOYSA-N 2 0 290.455 2.649 20 0 CFADRP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@@H](c1ccccc1)N(C)C ZINC000657438358 413608134 /nfs/dbraw/zinc/60/81/34/413608134.db2.gz JKHBRUNBDDJNLZ-KDOFPFPSSA-N 2 0 298.434 2.610 20 0 CFADRP CC1(C)CC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657444240 413613379 /nfs/dbraw/zinc/61/33/79/413613379.db2.gz WWLZCTNMGHSZSQ-UHFFFAOYSA-N 2 0 270.380 2.793 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc2c1CCC2 ZINC000651753500 413616237 /nfs/dbraw/zinc/61/62/37/413616237.db2.gz SVWUETFZVXXGFS-QGZVFWFLSA-N 2 0 290.451 2.622 20 0 CFADRP Cc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000664403982 413746698 /nfs/dbraw/zinc/74/66/98/413746698.db2.gz SPMNREWTODCZIZ-OAHLLOKOSA-N 2 0 259.397 2.631 20 0 CFADRP COC[C@H](CC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000651833834 413678127 /nfs/dbraw/zinc/67/81/27/413678127.db2.gz QTBMEKDWHDKUJQ-SLTAFYQDSA-N 2 0 270.461 2.900 20 0 CFADRP Cn1ncc(C2CCC2)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000657492200 413680214 /nfs/dbraw/zinc/68/02/14/413680214.db2.gz UJEJBJIVXFIJET-CQSZACIVSA-N 2 0 290.455 2.509 20 0 CFADRP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(F)F ZINC000657497903 413689001 /nfs/dbraw/zinc/68/90/01/413689001.db2.gz GIUJHULFTXLLBY-NSHDSACASA-N 2 0 280.322 2.648 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000285458935 196290838 /nfs/dbraw/zinc/29/08/38/196290838.db2.gz MVTWUJPCXZQCOR-XGACYXMMSA-N 2 0 280.362 2.909 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)noc2c1 ZINC000657533280 413717536 /nfs/dbraw/zinc/71/75/36/413717536.db2.gz KAKZLQIOTWJNJW-KGLIPLIRSA-N 2 0 285.391 2.587 20 0 CFADRP CCC[C@@H](C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535316 413717689 /nfs/dbraw/zinc/71/76/89/413717689.db2.gz JHRKZEPFAYTYIG-OAHLLOKOSA-N 2 0 282.472 2.903 20 0 CFADRP c1csc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657536899 413722063 /nfs/dbraw/zinc/72/20/63/413722063.db2.gz TUOPOUSCGVXFBM-UHFFFAOYSA-N 2 0 294.464 2.729 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccco2)CC1 ZINC000661161937 413792365 /nfs/dbraw/zinc/79/23/65/413792365.db2.gz BUVPBVNBZGLWST-HNNXBMFYSA-N 2 0 262.397 2.943 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC000657574343 413763352 /nfs/dbraw/zinc/76/33/52/413763352.db2.gz WQYHTSXDXYNHPT-UEOUDEGLSA-N 2 0 289.467 2.561 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657593550 413777663 /nfs/dbraw/zinc/77/76/63/413777663.db2.gz AJAVMNOAORNHBW-ZTFGCOKTSA-N 2 0 288.435 2.531 20 0 CFADRP C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657593541 413778300 /nfs/dbraw/zinc/77/83/00/413778300.db2.gz AJAVMNOAORNHBW-FHLIZLRMSA-N 2 0 288.435 2.531 20 0 CFADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCCCC3)cc2)C1 ZINC000657595355 413780072 /nfs/dbraw/zinc/78/00/72/413780072.db2.gz PXXVVNIBUZCDIO-SFHVURJKSA-N 2 0 288.435 2.676 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000285499561 196305866 /nfs/dbraw/zinc/30/58/66/196305866.db2.gz FAQVERQXSMERTM-CGTJXYLNSA-N 2 0 290.451 2.772 20 0 CFADRP CSCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285503249 196307253 /nfs/dbraw/zinc/30/72/53/196307253.db2.gz JIPSSTSKCYHHPN-KRWDZBQOSA-N 2 0 290.476 2.947 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000652222579 413834466 /nfs/dbraw/zinc/83/44/66/413834466.db2.gz SAPHNGNRXYIMBU-HNNXBMFYSA-N 2 0 278.440 2.807 20 0 CFADRP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+](C)CC(C)C ZINC000652222470 413836081 /nfs/dbraw/zinc/83/60/81/413836081.db2.gz PFLZUGNQKJFDIN-HOTGVXAUSA-N 2 0 270.461 2.759 20 0 CFADRP c1cc(C[NH2+]CCCC2CCC2)n(-c2cc[nH+]cc2)n1 ZINC000657666466 413837445 /nfs/dbraw/zinc/83/74/45/413837445.db2.gz LQWOGRFEVVVILD-UHFFFAOYSA-N 2 0 270.380 2.937 20 0 CFADRP COC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)C1CCCC1 ZINC000652221928 413837551 /nfs/dbraw/zinc/83/75/51/413837551.db2.gz AIBVUJUACUWZAJ-MRXNPFEDSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)c1ccccc1 ZINC000036907638 172796164 /nfs/dbraw/zinc/79/61/64/172796164.db2.gz JHFPQUQGAGURGX-SOLBZPMBSA-N 2 0 289.467 2.831 20 0 CFADRP CCC[N@@H+]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000657741895 413896293 /nfs/dbraw/zinc/89/62/93/413896293.db2.gz JWZRKOGRPDVJDB-KRWDZBQOSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H]1CCCC[C@H]1OCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351644 413900857 /nfs/dbraw/zinc/90/08/57/413900857.db2.gz NMTJUFDWXBZDQQ-NXOAAHMSSA-N 2 0 280.456 2.643 20 0 CFADRP C[C@]1(c2cccc(F)c2)CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000652350177 413902357 /nfs/dbraw/zinc/90/23/57/413902357.db2.gz JUMHPCBXJAPRAE-PBHICJAKSA-N 2 0 276.399 2.789 20 0 CFADRP FC1(F)C[C@]12CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000652364456 413910873 /nfs/dbraw/zinc/91/08/73/413910873.db2.gz QEKSRCYNOCXZRH-HNNXBMFYSA-N 2 0 278.346 2.563 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657872647 414017902 /nfs/dbraw/zinc/01/79/02/414017902.db2.gz RTACFWDNUXINDL-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP Cc1cccn2c(C[NH2+][C@@H](c3ccccc3)[C@@H](C)O)cnc12 ZINC000657814963 413960418 /nfs/dbraw/zinc/96/04/18/413960418.db2.gz GUDSLBVGJDTWLI-RHSMWYFYSA-N 2 0 295.386 2.854 20 0 CFADRP C([NH2+][C@H]1CCCSC1)C1CC[NH+](CC2CC2)CC1 ZINC000657812851 413960744 /nfs/dbraw/zinc/96/07/44/413960744.db2.gz HWHOJCITGXQAIS-HNNXBMFYSA-N 2 0 268.470 2.594 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657816707 413965208 /nfs/dbraw/zinc/96/52/08/413965208.db2.gz NAVIJXKVDJDVMU-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP COCC1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000657815929 413966693 /nfs/dbraw/zinc/96/66/93/413966693.db2.gz SCCNMGZCBYECOU-UHFFFAOYSA-N 2 0 294.483 2.903 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657817403 413966928 /nfs/dbraw/zinc/96/69/28/413966928.db2.gz RSRCBDCKZWRUHP-HUUCEWRRSA-N 2 0 278.444 2.818 20 0 CFADRP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000657825344 413977419 /nfs/dbraw/zinc/97/74/19/413977419.db2.gz YVFMEJNWXYILEW-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](C[NH2+]C1CC(CF)(CF)C1)N1CCC[C@H](C)C1 ZINC000657834697 413986827 /nfs/dbraw/zinc/98/68/27/413986827.db2.gz ASMKYJIXAFSQIK-QWHCGFSZSA-N 2 0 274.399 2.784 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657838794 413989545 /nfs/dbraw/zinc/98/95/45/413989545.db2.gz YDDDTCLOQYAYJA-MRXNPFEDSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C(F)F ZINC000657840881 413992430 /nfs/dbraw/zinc/99/24/30/413992430.db2.gz XODIQTFSRMZXBA-SDDRHHMPSA-N 2 0 260.372 2.883 20 0 CFADRP CCOC1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000657846327 413994672 /nfs/dbraw/zinc/99/46/72/413994672.db2.gz QKGJGMFHWVYEMY-UHFFFAOYSA-N 2 0 280.456 2.798 20 0 CFADRP CCOC1CCC([NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000657842470 413995822 /nfs/dbraw/zinc/99/58/22/413995822.db2.gz BZGKHUQIYSDFJE-FHERZECASA-N 2 0 268.445 2.656 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657902991 414041866 /nfs/dbraw/zinc/04/18/66/414041866.db2.gz QMDIOOYGGIMHSN-RYUDHWBXSA-N 2 0 280.403 2.613 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000037213739 173034729 /nfs/dbraw/zinc/03/47/29/173034729.db2.gz ODDUAAZUODBHRP-OAHLLOKOSA-N 2 0 250.361 2.818 20 0 CFADRP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037408188 173183519 /nfs/dbraw/zinc/18/35/19/173183519.db2.gz RCTOPNOOJHPUOY-ZDUSSCGKSA-N 2 0 296.361 2.862 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000657976570 414084121 /nfs/dbraw/zinc/08/41/21/414084121.db2.gz QPHVZVOTYWKIBI-KSZLIROESA-N 2 0 295.515 2.961 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000661672843 414126824 /nfs/dbraw/zinc/12/68/24/414126824.db2.gz QJQUFMLQSHKQLO-HNNXBMFYSA-N 2 0 270.461 2.590 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccn1 ZINC000658067051 414153136 /nfs/dbraw/zinc/15/31/36/414153136.db2.gz RODKIGOXPNGTEQ-SRABZTEZSA-N 2 0 273.424 2.648 20 0 CFADRP c1[nH+]cn2cc(C[NH2+][C@H]3CCCSCC3)ccc12 ZINC000658035475 414123724 /nfs/dbraw/zinc/12/37/24/414123724.db2.gz NJRVXSHTOGFMBO-ZDUSSCGKSA-N 2 0 261.394 2.710 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263154 414220626 /nfs/dbraw/zinc/22/06/26/414220626.db2.gz GUYZGPGQKZSABJ-UBDQQSCGSA-N 2 0 288.435 2.537 20 0 CFADRP COc1cccc(OC)c1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000658123153 414222092 /nfs/dbraw/zinc/22/20/92/414222092.db2.gz ZFJFSTSKKTZKFF-CYBMUJFWSA-N 2 0 292.423 2.524 20 0 CFADRP Cn1cc(CC[NH2+]C2CCC(C[NH3+])CC2)c2ccccc21 ZINC000665264654 414222307 /nfs/dbraw/zinc/22/23/07/414222307.db2.gz FLVMPMONQDGMII-UHFFFAOYSA-N 2 0 285.435 2.828 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccoc1 ZINC000665263315 414222784 /nfs/dbraw/zinc/22/27/84/414222784.db2.gz KGMRIMBZDTZHAI-HIFRSBDPSA-N 2 0 250.386 2.723 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000665267394 414225042 /nfs/dbraw/zinc/22/50/42/414225042.db2.gz VVYKKILVIBPPAX-UAGQMJEPSA-N 2 0 279.472 2.643 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000665267512 414227317 /nfs/dbraw/zinc/22/73/17/414227317.db2.gz YGEPJMJMVIKKBN-IINYFYTJSA-N 2 0 283.366 2.935 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266883 414227881 /nfs/dbraw/zinc/22/78/81/414227881.db2.gz LHUJQXJZZCVNTN-AEGPPILISA-N 2 0 282.378 2.970 20 0 CFADRP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000665274597 414230267 /nfs/dbraw/zinc/23/02/67/414230267.db2.gz UHDFJRYJMAXAEP-QXDIGNSFSA-N 2 0 270.420 2.910 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277725 414237793 /nfs/dbraw/zinc/23/77/93/414237793.db2.gz JYRFJAJPMDTDIC-IOSBVQAASA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000658088833 414180770 /nfs/dbraw/zinc/18/07/70/414180770.db2.gz WCCSEJXOZZXOPM-OLMNPRSZSA-N 2 0 294.483 2.780 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000665236742 414192394 /nfs/dbraw/zinc/19/23/94/414192394.db2.gz SRTXFXBOKORROB-XQQFMLRXSA-N 2 0 252.377 2.781 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665234571 414192708 /nfs/dbraw/zinc/19/27/08/414192708.db2.gz GFKZFFDBPSBKGT-CFVMTHIKSA-N 2 0 293.842 2.636 20 0 CFADRP c1cc2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2o1 ZINC000665237506 414196205 /nfs/dbraw/zinc/19/62/05/414196205.db2.gz CCAZWIVHTAIPAV-HRCADAONSA-N 2 0 270.376 2.911 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccnc2ccccc12 ZINC000665238809 414197476 /nfs/dbraw/zinc/19/74/76/414197476.db2.gz FCQYERJULAIOOO-CQSZACIVSA-N 2 0 271.408 2.884 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)C1(C)C ZINC000665247513 414203855 /nfs/dbraw/zinc/20/38/55/414203855.db2.gz DIAQCRZPPVRLEM-UONOGXRCSA-N 2 0 268.445 2.687 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246401 414204170 /nfs/dbraw/zinc/20/41/70/414204170.db2.gz DSNGXKFFOZHHQZ-UKRRQHHQSA-N 2 0 262.397 2.624 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665245267 414205490 /nfs/dbraw/zinc/20/54/90/414205490.db2.gz CXSPHJXBDDBAIA-OKZBNKHCSA-N 2 0 288.435 2.550 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c(C)o1 ZINC000658108793 414205519 /nfs/dbraw/zinc/20/55/19/414205519.db2.gz SFPVPWAXUITYKK-ZFWWWQNUSA-N 2 0 295.471 2.819 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCC2)C12CCCCC2 ZINC000665247392 414206252 /nfs/dbraw/zinc/20/62/52/414206252.db2.gz ANYRZARCWWDVEJ-GJZGRUSLSA-N 2 0 280.456 2.975 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665247006 414206296 /nfs/dbraw/zinc/20/62/96/414206296.db2.gz TTZGFEVUTDWDNO-HNNXBMFYSA-N 2 0 274.408 2.934 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)o1 ZINC000658105640 414207330 /nfs/dbraw/zinc/20/73/30/414207330.db2.gz BNLZTDMPICTCIE-LSDHHAIUSA-N 2 0 295.471 2.765 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665246402 414207628 /nfs/dbraw/zinc/20/76/28/414207628.db2.gz DSNGXKFFOZHHQZ-ZFWWWQNUSA-N 2 0 262.397 2.624 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC12CCCC2 ZINC000658109982 414210155 /nfs/dbraw/zinc/21/01/55/414210155.db2.gz ZFOUBNSRIXTDKV-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665262899 414217721 /nfs/dbraw/zinc/21/77/21/414217721.db2.gz BGSDVLWMYBAVOR-FUJDEKNSSA-N 2 0 272.436 2.971 20 0 CFADRP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2c1 ZINC000665261910 414218365 /nfs/dbraw/zinc/21/83/65/414218365.db2.gz OEAJWGOVLPEZOE-APHBMKBZSA-N 2 0 288.391 2.583 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(OC)c1 ZINC000665279740 414245657 /nfs/dbraw/zinc/24/56/57/414245657.db2.gz KRCVECHCWHGVRZ-SWLSCSKDSA-N 2 0 280.412 2.728 20 0 CFADRP COc1ccccc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665280347 414245684 /nfs/dbraw/zinc/24/56/84/414245684.db2.gz ZHVAGISXWFXGKP-GXTWGEPZSA-N 2 0 250.386 2.719 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C12CCCC2 ZINC000665281574 414247397 /nfs/dbraw/zinc/24/73/97/414247397.db2.gz GZDQXSWIDPIYEQ-QLFBSQMISA-N 2 0 268.445 2.687 20 0 CFADRP C[NH2+]C[C@@H](C)NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000665297503 414267603 /nfs/dbraw/zinc/26/76/03/414267603.db2.gz HHPJLBDICUKMDP-CQSZACIVSA-N 2 0 283.504 2.863 20 0 CFADRP C[C@@H]([NH2+]C[C@@]1(c2ccccc2)CC1(C)C)C1C[NH2+]C1 ZINC000665299063 414272215 /nfs/dbraw/zinc/27/22/15/414272215.db2.gz FRLPCNFWUPOMDZ-CXAGYDPISA-N 2 0 258.409 2.552 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299319 414272697 /nfs/dbraw/zinc/27/26/97/414272697.db2.gz KFSNJCSWSOPKRU-HOCLYGCPSA-N 2 0 298.434 2.967 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000658205009 414278537 /nfs/dbraw/zinc/27/85/37/414278537.db2.gz DGSASENQDQYMJP-OFQRWUPVSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC[N@@H+]1C ZINC000658205686 414280264 /nfs/dbraw/zinc/28/02/64/414280264.db2.gz DTCZMADMGWRSFA-UBDQQSCGSA-N 2 0 288.435 2.631 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H]2CCC[C@H]21 ZINC000658205810 414280646 /nfs/dbraw/zinc/28/06/46/414280646.db2.gz JTAZTHPYKAZWQM-IAFLNBNSSA-N 2 0 262.441 2.885 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661874477 414288003 /nfs/dbraw/zinc/28/80/03/414288003.db2.gz JCPOQGJSZQIOQB-SJORKVTESA-N 2 0 282.472 2.999 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000658236495 414307812 /nfs/dbraw/zinc/30/78/12/414307812.db2.gz IYNYVVIKDXHZSZ-WCQYABFASA-N 2 0 289.379 2.668 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)C[NH+]1CCCC1 ZINC000655694260 414368776 /nfs/dbraw/zinc/36/87/76/414368776.db2.gz FVPWCSGPNMUEHE-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655698462 414371395 /nfs/dbraw/zinc/37/13/95/414371395.db2.gz FEIYZKIJUZCTRX-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655703533 414376234 /nfs/dbraw/zinc/37/62/34/414376234.db2.gz ICKNFJIAPRWIHF-MJBXVCDLSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C2CCC2)C1 ZINC000662041763 414380976 /nfs/dbraw/zinc/38/09/76/414380976.db2.gz CGOQNQDSYQDZAE-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C2CCC2)C1 ZINC000662041775 414381165 /nfs/dbraw/zinc/38/11/65/414381165.db2.gz CGOQNQDSYQDZAE-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000658332203 414381741 /nfs/dbraw/zinc/38/17/41/414381741.db2.gz OYMNXHVAXNSMIR-XBVQOTNRSA-N 2 0 280.456 2.797 20 0 CFADRP CCCN(C)CC(C)(C)[NH2+]CCCc1ccncc1 ZINC000662176438 414442606 /nfs/dbraw/zinc/44/26/06/414442606.db2.gz FNNNVMOZLRJCPZ-UHFFFAOYSA-N 2 0 263.429 2.724 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)cn1 ZINC000655804029 414448844 /nfs/dbraw/zinc/44/88/44/414448844.db2.gz MSLQNPUJAZRODG-WZRBSPASSA-N 2 0 267.804 2.726 20 0 CFADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1 ZINC000655803863 414448869 /nfs/dbraw/zinc/44/88/69/414448869.db2.gz FSCPRWRFBXTTAG-MAZHCROVSA-N 2 0 296.842 2.957 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000655804930 414448971 /nfs/dbraw/zinc/44/89/71/414448971.db2.gz GLKNPHILTGGBOF-SLBVQIDZSA-N 2 0 250.430 2.885 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804448 414448980 /nfs/dbraw/zinc/44/89/80/414448980.db2.gz YUKYPAJEHADSHJ-ZOWXZIJZSA-N 2 0 292.398 2.751 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000655803912 414449069 /nfs/dbraw/zinc/44/90/69/414449069.db2.gz HUFIHKXCHFGEPR-VNQPRFMTSA-N 2 0 290.455 2.961 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)c1 ZINC000655803897 414449785 /nfs/dbraw/zinc/44/97/85/414449785.db2.gz HEQXOFZKNBJLDV-KFWWJZLASA-N 2 0 276.424 2.994 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C12CCCC2 ZINC000655806061 414450610 /nfs/dbraw/zinc/45/06/10/414450610.db2.gz YNMRFNLLRAVBMG-FZKCQIBNSA-N 2 0 280.456 2.654 20 0 CFADRP Cc1nc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(C)s1 ZINC000655806038 414451044 /nfs/dbraw/zinc/45/10/44/414451044.db2.gz XNOCNBMYKQEGBL-TVYUQYBPSA-N 2 0 267.442 2.751 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000655805260 414451275 /nfs/dbraw/zinc/45/12/75/414451275.db2.gz DTKHOVNSYSAGBD-WZRBSPASSA-N 2 0 268.351 2.956 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000655825539 414462852 /nfs/dbraw/zinc/46/28/52/414462852.db2.gz HBCHDVSFDQOWFV-XBXGTLAGSA-N 2 0 252.789 2.770 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(F)c(F)cc2F)C1 ZINC000655827253 414464321 /nfs/dbraw/zinc/46/43/21/414464321.db2.gz OZELOJGKNGVKNW-JGZJWPJOSA-N 2 0 272.314 2.534 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000655827657 414465043 /nfs/dbraw/zinc/46/50/43/414465043.db2.gz WQPJAWJUIBEHRE-FZNQNYSPSA-N 2 0 260.425 2.894 20 0 CFADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+])C1CCCCC1 ZINC000662234824 414468871 /nfs/dbraw/zinc/46/88/71/414468871.db2.gz NSFSXGDBISREEN-FVQBIDKESA-N 2 0 268.445 2.783 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)[C@@]1(C)CCCO1 ZINC000658353020 414398216 /nfs/dbraw/zinc/39/82/16/414398216.db2.gz JERZQTWAJGWOLB-RHSMWYFYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000658352401 414398869 /nfs/dbraw/zinc/39/88/69/414398869.db2.gz GBDZDOZLHUKBAU-WWGRRREGSA-N 2 0 250.430 2.743 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cncs1 ZINC000658356435 414400864 /nfs/dbraw/zinc/40/08/64/414400864.db2.gz OCKAOFXIBSQCMQ-GFCCVEGCSA-N 2 0 279.453 2.916 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)C1CCCCC1 ZINC000662244713 414474236 /nfs/dbraw/zinc/47/42/36/414474236.db2.gz GFROWWWUACDVKH-XJKSGUPXSA-N 2 0 268.445 2.641 20 0 CFADRP C[NH2+]CC1CC[NH+](CCSc2cccc(OC)c2)CC1 ZINC000662245620 414474947 /nfs/dbraw/zinc/47/49/47/414474947.db2.gz MDPWOFUZEVTJID-UHFFFAOYSA-N 2 0 294.464 2.719 20 0 CFADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCCc2ccccc21 ZINC000662248860 414475751 /nfs/dbraw/zinc/47/57/51/414475751.db2.gz LCAPSFUQDFPXEO-WBVHZDCISA-N 2 0 286.419 2.517 20 0 CFADRP CC(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252868 414475781 /nfs/dbraw/zinc/47/57/81/414475781.db2.gz QPYDDWMFTZGERX-KRWDZBQOSA-N 2 0 288.435 2.666 20 0 CFADRP COC1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655848476 414475988 /nfs/dbraw/zinc/47/59/88/414475988.db2.gz FRACALPQYXEJOT-CKUJCDMFSA-N 2 0 266.429 2.551 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655848978 414476776 /nfs/dbraw/zinc/47/67/76/414476776.db2.gz NAEOWIVWZVDFQU-SJORKVTESA-N 2 0 293.499 2.856 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)C1(C)C ZINC000655849161 414477389 /nfs/dbraw/zinc/47/73/89/414477389.db2.gz PSHOBRDQMDHDGZ-LVQVYYBASA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cccnc1 ZINC000655848793 414477460 /nfs/dbraw/zinc/47/74/60/414477460.db2.gz KVVFSTJOSMZDSV-CWRNSKLLSA-N 2 0 259.397 2.749 20 0 CFADRP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250636 414477745 /nfs/dbraw/zinc/47/77/45/414477745.db2.gz KMMMXEUEZOUXNL-CABCVRRESA-N 2 0 274.408 2.509 20 0 CFADRP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257222 414479992 /nfs/dbraw/zinc/47/99/92/414479992.db2.gz BLAUQNFHNWQYMN-JKSUJKDBSA-N 2 0 280.456 2.798 20 0 CFADRP C[NH2+]CCC1CC[NH+](C[C@H](OC)C2CCCCC2)CC1 ZINC000662263436 414481248 /nfs/dbraw/zinc/48/12/48/414481248.db2.gz BHIPRKQXMTVTJG-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CCC(CC)[N@H+](CC(C)C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258892 414482605 /nfs/dbraw/zinc/48/26/05/414482605.db2.gz NSVMCZGJURDTGJ-HNNXBMFYSA-N 2 0 268.445 2.654 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662265652 414483607 /nfs/dbraw/zinc/48/36/07/414483607.db2.gz HQYGKBAVAXDUAN-VOAKCMCISA-N 2 0 260.372 2.727 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000662271897 414488172 /nfs/dbraw/zinc/48/81/72/414488172.db2.gz BBVVTVXQZJJARY-QZTJIDSGSA-N 2 0 294.483 2.903 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H](CC[NH3+])C1)C1CCCCC1 ZINC000662272771 414488961 /nfs/dbraw/zinc/48/89/61/414488961.db2.gz PLVHDVZLQFNLIM-GOEBONIOSA-N 2 0 268.445 2.643 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCC1 ZINC000662273495 414489028 /nfs/dbraw/zinc/48/90/28/414489028.db2.gz NPNOYZVGKADSJI-BRWVUGGUSA-N 2 0 280.456 2.513 20 0 CFADRP CC[C@@H](CC(F)F)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662272378 414489078 /nfs/dbraw/zinc/48/90/78/414489078.db2.gz FLFHNOVFKVVYCF-JSGCOSHPSA-N 2 0 274.399 2.989 20 0 CFADRP CCc1nocc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000662274009 414490462 /nfs/dbraw/zinc/49/04/62/414490462.db2.gz RIYMVQMXUXWTFK-UHFFFAOYSA-N 2 0 265.401 2.578 20 0 CFADRP COCC1(C)CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662278878 414492536 /nfs/dbraw/zinc/49/25/36/414492536.db2.gz NGAQCZQVGRGSPO-UHFFFAOYSA-N 2 0 288.435 2.581 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c1 ZINC000659303193 414492842 /nfs/dbraw/zinc/49/28/42/414492842.db2.gz LUGWZTYBCRGBTL-KRWDZBQOSA-N 2 0 295.386 2.579 20 0 CFADRP c1ccc2c(CC[N@H+](C3CC3)C3CC[NH2+]CC3)noc2c1 ZINC000655936650 414493967 /nfs/dbraw/zinc/49/39/67/414493967.db2.gz JRUROIUBCKFTGU-UHFFFAOYSA-N 2 0 285.391 2.587 20 0 CFADRP CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662282216 414494840 /nfs/dbraw/zinc/49/48/40/414494840.db2.gz DKSUJIYPEGQASL-OWCLPIDISA-N 2 0 292.467 2.656 20 0 CFADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)C1 ZINC000662281827 414494937 /nfs/dbraw/zinc/49/49/37/414494937.db2.gz PPYRYPYFTVEWOT-LHKMKVQPSA-N 2 0 292.467 2.641 20 0 CFADRP COCC[NH2+]C1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000655939719 414494970 /nfs/dbraw/zinc/49/49/70/414494970.db2.gz JSXBNZMFMBBFSE-UHFFFAOYSA-N 2 0 268.445 2.513 20 0 CFADRP c1ccc2c(CC[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)noc2c1 ZINC000655939715 414495109 /nfs/dbraw/zinc/49/51/09/414495109.db2.gz UBVDVEMHGMACRR-OAHLLOKOSA-N 2 0 299.418 2.692 20 0 CFADRP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C(C)C ZINC000662283182 414495492 /nfs/dbraw/zinc/49/54/92/414495492.db2.gz RUJIXUYQPKPRCA-RDJZCZTQSA-N 2 0 288.435 2.803 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283240 414495528 /nfs/dbraw/zinc/49/55/28/414495528.db2.gz SUBLGFWFMZECIA-JYJNAYRXSA-N 2 0 280.456 2.702 20 0 CFADRP FCCCCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292366 414496381 /nfs/dbraw/zinc/49/63/81/414496381.db2.gz DYQFNGLQPLBWMT-OAHLLOKOSA-N 2 0 256.409 2.838 20 0 CFADRP Clc1cnccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292119 414496666 /nfs/dbraw/zinc/49/66/66/414496666.db2.gz MURPKRAPSYNBKB-CQSZACIVSA-N 2 0 293.842 2.947 20 0 CFADRP CC[C@@H](C)[N@H+](CC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000662290280 414496750 /nfs/dbraw/zinc/49/67/50/414496750.db2.gz OPKPPCOMWDITSV-UKRRQHHQSA-N 2 0 264.413 2.858 20 0 CFADRP COc1cccc(SCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000662285210 414496801 /nfs/dbraw/zinc/49/68/01/414496801.db2.gz ZWCIUPZNZIIDKG-OLZOCXBDSA-N 2 0 280.437 2.599 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)noc2c1 ZINC000655941477 414497026 /nfs/dbraw/zinc/49/70/26/414497026.db2.gz VHDKHBJKQJTVNG-CABCVRRESA-N 2 0 299.418 2.692 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCC2CCC2)C1 ZINC000662284787 414497114 /nfs/dbraw/zinc/49/71/14/414497114.db2.gz PHSHEEADCSNMIB-PMPSAXMXSA-N 2 0 266.429 2.537 20 0 CFADRP c1ccc(OCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293654 414497212 /nfs/dbraw/zinc/49/72/12/414497212.db2.gz HHBPTZCFLHGZFR-KRWDZBQOSA-N 2 0 288.435 2.777 20 0 CFADRP c1ccc2c(CC[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)noc2c1 ZINC000655941377 414497431 /nfs/dbraw/zinc/49/74/31/414497431.db2.gz RTHFBAPNNJAWMO-YOEHRIQHSA-N 2 0 299.418 2.834 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CCC1 ZINC000662295202 414498353 /nfs/dbraw/zinc/49/83/53/414498353.db2.gz UEPJEWKIWBMXCO-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP c1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)oc1C1CC1 ZINC000662294576 414498372 /nfs/dbraw/zinc/49/83/72/414498372.db2.gz QYFRONOEOLURQO-OAHLLOKOSA-N 2 0 289.423 2.764 20 0 CFADRP CCCCOCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298044 414498848 /nfs/dbraw/zinc/49/88/48/414498848.db2.gz UHKBETUVWQNKLP-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP CO[C@@H](C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)C1CCC1 ZINC000662295206 414499198 /nfs/dbraw/zinc/49/91/98/414499198.db2.gz UEPJEWKIWBMXCO-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295264 414499666 /nfs/dbraw/zinc/49/96/66/414499666.db2.gz UTIUKDNLPOZBOF-WMLDXEAASA-N 2 0 273.424 2.854 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000662299815 414499676 /nfs/dbraw/zinc/49/96/76/414499676.db2.gz XOCPXZXLXFYMSQ-AWEZNQCLSA-N 2 0 283.419 2.916 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295192 414499872 /nfs/dbraw/zinc/49/98/72/414499872.db2.gz UDIAOQJHZYEJOZ-YOEHRIQHSA-N 2 0 273.424 2.854 20 0 CFADRP c1ccc2c(c1)[nH]c1c2C[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000662299921 414499926 /nfs/dbraw/zinc/49/99/26/414499926.db2.gz ZSDQTQRQVRRAPU-UHFFFAOYSA-N 2 0 283.419 2.916 20 0 CFADRP CC[NH+](CC)CCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309039 414502653 /nfs/dbraw/zinc/50/26/53/414502653.db2.gz HXHDQGLFQINRCM-CALCHBBNSA-N 2 0 280.456 2.611 20 0 CFADRP C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662314517 414504797 /nfs/dbraw/zinc/50/47/97/414504797.db2.gz FBXNXLZFQDJUPU-IAGOWNOFSA-N 3 0 281.488 2.702 20 0 CFADRP Cc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317928 414505873 /nfs/dbraw/zinc/50/58/73/414505873.db2.gz UCWPFRWKJAVOMV-QGZVFWFLSA-N 2 0 276.424 2.538 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000662318213 414506360 /nfs/dbraw/zinc/50/63/60/414506360.db2.gz XPOXMJDKBQNEPG-GOSISDBHSA-N 2 0 287.451 2.587 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CCO1 ZINC000662326127 414506741 /nfs/dbraw/zinc/50/67/41/414506741.db2.gz OIEVYLJFOJLRRJ-MRXNPFEDSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327311 414507487 /nfs/dbraw/zinc/50/74/87/414507487.db2.gz MYQWBDGRTKWNCL-ZDUSSCGKSA-N 2 0 290.455 2.855 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325518 414507559 /nfs/dbraw/zinc/50/75/59/414507559.db2.gz HRLQLQFPWOKUNX-IXDOHACOSA-N 2 0 282.472 2.855 20 0 CFADRP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2=CCCCC2)CCO1 ZINC000662325973 414507567 /nfs/dbraw/zinc/50/75/67/414507567.db2.gz MYKHNMJNVRAVDC-QGZVFWFLSA-N 2 0 280.456 2.920 20 0 CFADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@](C)(C(F)F)O1 ZINC000662336547 414509957 /nfs/dbraw/zinc/50/99/57/414509957.db2.gz YZAFAEPSWOSZNH-SWLSCSKDSA-N 2 0 290.398 2.511 20 0 CFADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)C[C@@](C)(C(F)F)O1 ZINC000662336545 414510871 /nfs/dbraw/zinc/51/08/71/414510871.db2.gz YZAFAEPSWOSZNH-DOMZBBRYSA-N 2 0 290.398 2.511 20 0 CFADRP COc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000656197738 414532413 /nfs/dbraw/zinc/53/24/13/414532413.db2.gz GARQHLXTTPCKHK-HUUCEWRRSA-N 2 0 276.424 2.832 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2(CCOCc3ccccc3)CC2)C1 ZINC000656198494 414533528 /nfs/dbraw/zinc/53/35/28/414533528.db2.gz ZFCQWNBVSZELSQ-IRXDYDNUSA-N 2 0 288.435 2.985 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C1 ZINC000656199091 414533677 /nfs/dbraw/zinc/53/36/77/414533677.db2.gz LIHFIIRECKBFBN-GHMZBOCLSA-N 2 0 286.778 2.717 20 0 CFADRP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000659867821 414598981 /nfs/dbraw/zinc/59/89/81/414598981.db2.gz YBFMMCXOVJPSFZ-KZNAEPCWSA-N 2 0 294.483 2.734 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000662730767 414600875 /nfs/dbraw/zinc/60/08/75/414600875.db2.gz OZBXVTNOZYHFFS-JKSUJKDBSA-N 2 0 297.487 2.554 20 0 CFADRP CO[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000659947294 414627673 /nfs/dbraw/zinc/62/76/73/414627673.db2.gz KJXMFYFPYRKOIR-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP [NH3+]C[C@@H]1CCCc2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc21 ZINC000656560779 414608111 /nfs/dbraw/zinc/60/81/11/414608111.db2.gz HZARHWHHALZNSU-ZFWWWQNUSA-N 2 0 298.390 2.540 20 0 CFADRP CO[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000659947293 414627927 /nfs/dbraw/zinc/62/79/27/414627927.db2.gz KJXMFYFPYRKOIR-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659944086 414625790 /nfs/dbraw/zinc/62/57/90/414625790.db2.gz IDIBQKFDHRSYBJ-YVSFHVDLSA-N 2 0 262.441 2.983 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000656268779 414554539 /nfs/dbraw/zinc/55/45/39/414554539.db2.gz GYMMQJLCTZEFKE-IGQOVBAYSA-N 2 0 270.486 2.836 20 0 CFADRP c1cn2c(cccc2C[N@@H+]2CCC[C@@H](OC3CCC3)C2)n1 ZINC000656271697 414556551 /nfs/dbraw/zinc/55/65/51/414556551.db2.gz KDACTKDIELXKAQ-MRXNPFEDSA-N 2 0 285.391 2.868 20 0 CFADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCC1 ZINC000659842913 414581534 /nfs/dbraw/zinc/58/15/34/414581534.db2.gz HNLFHTQGQXFWTH-QGZVFWFLSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000038041190 174042244 /nfs/dbraw/zinc/04/22/44/174042244.db2.gz XQIOVVROMNTFHI-ZDUSSCGKSA-N 2 0 258.409 2.968 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCC1 ZINC000659956815 414631635 /nfs/dbraw/zinc/63/16/35/414631635.db2.gz NGMNLXHKVBSJQO-DOTOQJQBSA-N 2 0 280.456 2.609 20 0 CFADRP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659956697 414632560 /nfs/dbraw/zinc/63/25/60/414632560.db2.gz MEDKZEWDHNVMDS-NXOAAHMSSA-N 2 0 262.441 2.840 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000660010148 414649155 /nfs/dbraw/zinc/64/91/55/414649155.db2.gz GIIYSPNILVAZCW-IXDOHACOSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000449739201 287288623 /nfs/dbraw/zinc/28/86/23/287288623.db2.gz JGBVSSICRNECFX-JLSDUUJJSA-N 2 0 294.483 2.780 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](OC)C2CCCC2)C1 ZINC000659982236 414640800 /nfs/dbraw/zinc/64/08/00/414640800.db2.gz IDZMLTLLXPJLFO-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659982117 414641317 /nfs/dbraw/zinc/64/13/17/414641317.db2.gz FYJOLHQXFQPLQO-LVQVYYBASA-N 2 0 250.430 2.696 20 0 CFADRP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000656700135 414641769 /nfs/dbraw/zinc/64/17/69/414641769.db2.gz ZBGASUWWAQXTNH-JKSUJKDBSA-N 2 0 270.461 2.588 20 0 CFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000656697683 414642344 /nfs/dbraw/zinc/64/23/44/414642344.db2.gz CXQSWVOSGUQCRL-JYJNAYRXSA-N 2 0 270.461 2.588 20 0 CFADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](OC)C2CCCCC2)C1 ZINC000659989429 414644676 /nfs/dbraw/zinc/64/46/76/414644676.db2.gz KXTXGAVJVDOSCR-WBVHZDCISA-N 2 0 282.472 2.855 20 0 CFADRP CC[N@@H+]1CC[C@H](N(C)CC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000660083558 414660473 /nfs/dbraw/zinc/66/04/73/414660473.db2.gz UQUAVWDXUNLLKM-XDNAFOTISA-N 2 0 295.515 2.626 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCC1CCC1 ZINC000660118261 414664469 /nfs/dbraw/zinc/66/44/69/414664469.db2.gz SZDYKRXBCQAFNG-BRWVUGGUSA-N 2 0 280.456 2.750 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660117098 414664680 /nfs/dbraw/zinc/66/46/80/414664680.db2.gz MBBCMAMXGSAHQH-PNVOZDDCSA-N 2 0 292.467 2.606 20 0 CFADRP CC(C)Cn1cc[nH+]c1NCc1ccnn1-c1cc[nH+]cc1 ZINC000663257588 414664956 /nfs/dbraw/zinc/66/49/56/414664956.db2.gz NTGFSHSINWCTJQ-UHFFFAOYSA-N 2 0 296.378 2.732 20 0 CFADRP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CO1 ZINC000660116073 414665158 /nfs/dbraw/zinc/66/51/58/414665158.db2.gz VAANYEVGBFVECK-CWRNSKLLSA-N 2 0 278.440 2.503 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040622649 174355862 /nfs/dbraw/zinc/35/58/62/174355862.db2.gz LZUGMLJTADRTPA-DOTOQJQBSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000040668693 174367336 /nfs/dbraw/zinc/36/73/36/174367336.db2.gz VAIBXIBAOJZJTJ-RYRKJORJSA-N 2 0 295.515 2.817 20 0 CFADRP CO[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)C1CCCC1 ZINC000660166870 414673552 /nfs/dbraw/zinc/67/35/52/414673552.db2.gz HAKGMSQYIKQBIG-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP C([NH2+][C@H]1CCCSC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343978 414676549 /nfs/dbraw/zinc/67/65/49/414676549.db2.gz LIDBPVNXTLOBIQ-CABCVRRESA-N 2 0 268.470 2.594 20 0 CFADRP C[C@@H]([NH2+]CCc1ccsc1)C1CC[NH+](C)CC1 ZINC000042599955 174816422 /nfs/dbraw/zinc/81/64/22/174816422.db2.gz RPWMPPWZQIXYAK-GFCCVEGCSA-N 2 0 252.427 2.611 20 0 CFADRP [NH3+]CC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000044514028 175189286 /nfs/dbraw/zinc/18/92/86/175189286.db2.gz VROSLZXBEBFRLV-UHFFFAOYSA-N 2 0 289.354 2.651 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c(C)s1 ZINC000044516004 175189982 /nfs/dbraw/zinc/18/99/82/175189982.db2.gz ULOZRMMWUMYQFU-SNVBAGLBSA-N 2 0 267.442 2.752 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000044515667 175190029 /nfs/dbraw/zinc/19/00/29/175190029.db2.gz DMKXIKXBTTUERF-CYBMUJFWSA-N 2 0 262.397 2.688 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000044517567 175190354 /nfs/dbraw/zinc/19/03/54/175190354.db2.gz HZIRRCKHEVVGMC-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000044517597 175190482 /nfs/dbraw/zinc/19/04/82/175190482.db2.gz ZQUORQCCOMZBFK-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000044517514 175190631 /nfs/dbraw/zinc/19/06/31/175190631.db2.gz QUUOHHYEZAIQKO-QGZVFWFLSA-N 2 0 258.409 2.995 20 0 CFADRP CCOc1cccc(C[NH2+]CC2CC[NH+](CC)CC2)c1 ZINC000044517867 175190867 /nfs/dbraw/zinc/19/08/67/175190867.db2.gz XXMJJTVMMZYMJB-UHFFFAOYSA-N 2 0 276.424 2.907 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000044517808 175191225 /nfs/dbraw/zinc/19/12/25/175191225.db2.gz URVUITWQUKIIKQ-GOSISDBHSA-N 2 0 272.436 2.865 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044532823 175196399 /nfs/dbraw/zinc/19/63/99/175196399.db2.gz SBHIMVNAMYLHRO-LSDHHAIUSA-N 2 0 276.424 2.996 20 0 CFADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[NH+](C)C ZINC000045663362 175382334 /nfs/dbraw/zinc/38/23/34/175382334.db2.gz XSYHWLBOHDEFKQ-AWEZNQCLSA-N 2 0 292.423 2.668 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437911 287300985 /nfs/dbraw/zinc/30/09/85/287300985.db2.gz QOAVUIVBRRTROU-SQNIBIBYSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)CCO1 ZINC000415053888 287303185 /nfs/dbraw/zinc/30/31/85/287303185.db2.gz PFFREJGIXZSBQJ-YYIAUSFCSA-N 2 0 280.456 2.656 20 0 CFADRP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171831 175877521 /nfs/dbraw/zinc/87/75/21/175877521.db2.gz WICXACXRDSZZQF-HIFRSBDPSA-N 2 0 262.397 2.645 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000071142063 176039909 /nfs/dbraw/zinc/03/99/09/176039909.db2.gz NWJIIZVPWLVYEN-HNNXBMFYSA-N 2 0 254.377 2.881 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000071146097 176042065 /nfs/dbraw/zinc/04/20/65/176042065.db2.gz LGTMFRQQZQWPFI-OAHLLOKOSA-N 2 0 284.403 2.760 20 0 CFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422766169 287344991 /nfs/dbraw/zinc/34/49/91/287344991.db2.gz QUEXDPQUPIDLLT-PMPSAXMXSA-N 2 0 281.488 2.747 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000422882931 287348317 /nfs/dbraw/zinc/34/83/17/287348317.db2.gz PPRRJZQDXABITK-IKGGRYGDSA-N 3 0 281.488 2.748 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000423014650 299000629 /nfs/dbraw/zinc/00/06/29/299000629.db2.gz PKKVYNRBALQXAK-NWANDNLSSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000263274213 299004949 /nfs/dbraw/zinc/00/49/49/299004949.db2.gz SPEZXEWKUYPJIG-HZUKXOBISA-N 2 0 275.396 2.552 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCCCO)CC2)C1 ZINC000192930430 227390192 /nfs/dbraw/zinc/39/01/92/227390192.db2.gz ZZISSCSJGJUEAV-DOTOQJQBSA-N 2 0 282.472 2.782 20 0 CFADRP C[NH+](C)CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(C)(C)C ZINC000417909740 227151022 /nfs/dbraw/zinc/15/10/22/227151022.db2.gz DGGCTEXLEPZYBB-CHWSQXEVSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000423167412 287619627 /nfs/dbraw/zinc/61/96/27/287619627.db2.gz FCHCKXDRIQBRBK-OJLVUWQFSA-N 2 0 250.430 2.790 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nccs1 ZINC000400929550 420503090 /nfs/dbraw/zinc/50/30/90/420503090.db2.gz IJGLNWYNFIBYJJ-LPWJVIDDSA-N 2 0 265.426 2.572 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000400968395 420503190 /nfs/dbraw/zinc/50/31/90/420503190.db2.gz OBFZUKBSFCOPNF-FRRDWIJNSA-N 2 0 250.411 2.534 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000037916581 420502191 /nfs/dbraw/zinc/50/21/91/420502191.db2.gz AKORBNWFWFHIJG-IRXDYDNUSA-N 2 0 286.419 2.586 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397574767 270318423 /nfs/dbraw/zinc/31/84/23/270318423.db2.gz FWQAOJXIYNPBAY-YUELXQCFSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000517390279 260175707 /nfs/dbraw/zinc/17/57/07/260175707.db2.gz FTXDDRYKQPPSSI-GJZGRUSLSA-N 2 0 262.397 2.623 20 0 CFADRP CC(C)Oc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000222556385 260224808 /nfs/dbraw/zinc/22/48/08/260224808.db2.gz GPUCBQXIRIMSET-GOEBONIOSA-N 2 0 276.424 2.904 20 0 CFADRP O[C@H](C[NH2+][C@@H]1CCCC12CCCCC2)C[NH+]1CCCC1 ZINC000312986536 260227717 /nfs/dbraw/zinc/22/77/17/260227717.db2.gz GBCGCRFQTUSYNP-HZPDHXFCSA-N 2 0 280.456 2.536 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000313130969 260252333 /nfs/dbraw/zinc/25/23/33/260252333.db2.gz YLNWMACGVAHBJV-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000313130952 260252551 /nfs/dbraw/zinc/25/25/51/260252551.db2.gz YLNWMACGVAHBJV-KRWDZBQOSA-N 2 0 293.499 2.717 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1OCCc2sccc21 ZINC000521068153 260373495 /nfs/dbraw/zinc/37/34/95/260373495.db2.gz NSMQELYLTMUAKJ-FUTJPDQTSA-N 2 0 280.437 2.610 20 0 CFADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1Cc2ccccc2C1 ZINC000518385649 260394498 /nfs/dbraw/zinc/39/44/98/260394498.db2.gz WOVFTWHXSJCJDL-UHFFFAOYSA-N 2 0 292.426 2.932 20 0 CFADRP CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393432211 262356852 /nfs/dbraw/zinc/35/68/52/262356852.db2.gz JDMVFOBGQRNUNZ-DFBGVHRSSA-N 2 0 262.397 2.518 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000094009809 265208920 /nfs/dbraw/zinc/20/89/20/265208920.db2.gz SKADFCFHPHHACD-ZDUSSCGKSA-N 2 0 262.397 2.654 20 0 CFADRP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000519138993 265329647 /nfs/dbraw/zinc/32/96/47/265329647.db2.gz OLHKDGYATJAQAZ-JJXSEGSLSA-N 2 0 290.455 2.553 20 0 CFADRP Cc1noc(C)c1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000519350443 265402274 /nfs/dbraw/zinc/40/22/74/265402274.db2.gz ISLUOMGGYPKSNM-WFASDCNBSA-N 2 0 279.428 2.734 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000514599365 266012471 /nfs/dbraw/zinc/01/24/71/266012471.db2.gz NHXJGCIJGXTLPW-KRWDZBQOSA-N 2 0 278.440 2.635 20 0 CFADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000251570529 270273430 /nfs/dbraw/zinc/27/34/30/270273430.db2.gz AQZCKSBGPXCEDA-HIFRSBDPSA-N 2 0 262.397 2.612 20 0 CFADRP C([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408426 270225574 /nfs/dbraw/zinc/22/55/74/270225574.db2.gz BJNNMQKPOFCLRW-XKMJEZSVSA-N 2 0 274.452 2.885 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC[NH+](C)C1CCCCC1 ZINC000037901183 270226182 /nfs/dbraw/zinc/22/61/82/270226182.db2.gz NHDULCKDIDBMOI-SOLBZPMBSA-N 2 0 295.515 2.959 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040622201 270227044 /nfs/dbraw/zinc/22/70/44/270227044.db2.gz LKUISHLEAKJCHC-CYBMUJFWSA-N 2 0 252.427 2.876 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000192838035 270234685 /nfs/dbraw/zinc/23/46/85/270234685.db2.gz ZAMCAYWUKDYXTA-MRXNPFEDSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000192727212 270233317 /nfs/dbraw/zinc/23/33/17/270233317.db2.gz RJLPLDCMHSOGHW-QGZVFWFLSA-N 2 0 281.488 2.525 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000192745677 270233834 /nfs/dbraw/zinc/23/38/34/270233834.db2.gz YVGPKOYORQSSEB-IAGOWNOFSA-N 2 0 281.488 2.523 20 0 CFADRP C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCCCC1 ZINC000227799769 270257985 /nfs/dbraw/zinc/25/79/85/270257985.db2.gz JPVNMFCSBFZUOK-ROUUACIJSA-N 2 0 290.451 2.572 20 0 CFADRP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000230766114 270259954 /nfs/dbraw/zinc/25/99/54/270259954.db2.gz GGCUKHITTNFPIO-ZWKOTPCHSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3C[C@H](O)C3(C)C)CC2)C1 ZINC000250098072 270271859 /nfs/dbraw/zinc/27/18/59/270271859.db2.gz QZEZQOAQBNGTDM-IWCQGFGOSA-N 2 0 294.483 2.779 20 0 CFADRP COc1ccc2cc(C[NH2+]C[C@H](C)C[NH3+])ccc2c1 ZINC000258866837 270274468 /nfs/dbraw/zinc/27/44/68/270274468.db2.gz ZGXHEEPVIFBXJS-GFCCVEGCSA-N 2 0 258.365 2.533 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cccc2ccccc21 ZINC000258937328 270274472 /nfs/dbraw/zinc/27/44/72/270274472.db2.gz JUVZSYLQZSRDDE-SJORKVTESA-N 2 0 254.377 2.852 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCc1cccc2ccccc21 ZINC000258821572 270274777 /nfs/dbraw/zinc/27/47/77/270274777.db2.gz UHMXVSZXSIOVSG-UHFFFAOYSA-N 2 0 256.393 2.924 20 0 CFADRP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000314888664 270291643 /nfs/dbraw/zinc/29/16/43/270291643.db2.gz BXCGJXLUIAXDEW-FLXSYLCISA-N 2 0 294.483 2.686 20 0 CFADRP Cc1ccc2cc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)ccc2n1 ZINC000314883823 270291743 /nfs/dbraw/zinc/29/17/43/270291743.db2.gz ZLOGVDKGHKKRTJ-FZKQIMNGSA-N 2 0 283.419 2.960 20 0 CFADRP CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000393385295 270307386 /nfs/dbraw/zinc/30/73/86/270307386.db2.gz VZUFJIMCOXFSBN-HRCADAONSA-N 2 0 282.472 2.686 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394885215 270309922 /nfs/dbraw/zinc/30/99/22/270309922.db2.gz PFCIWQJBVGGGAS-WCVJEAGWSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2F)C[C@@H]1C[NH3+] ZINC000397334172 270317436 /nfs/dbraw/zinc/31/74/36/270317436.db2.gz XUGRWZZOLNSYMC-DYEKYZERSA-N 2 0 250.361 2.631 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CSC[C@@H]1C ZINC000397918028 270320428 /nfs/dbraw/zinc/32/04/28/270320428.db2.gz FQWPZHASNUVKAX-CRWXNKLISA-N 2 0 256.459 2.638 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000423012103 270332720 /nfs/dbraw/zinc/33/27/20/270332720.db2.gz CJMUUKMHKMHZRC-CHPZLBCBSA-N 2 0 284.350 2.510 20 0 CFADRP COCCN1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459397456 270337761 /nfs/dbraw/zinc/33/77/61/270337761.db2.gz DTBSQWLKTFGJRW-SFHVURJKSA-N 2 0 288.435 2.764 20 0 CFADRP [NH3+]C1(C[NH2+]CCCOc2ccc(Cl)cc2)CCC1 ZINC000514603396 270347051 /nfs/dbraw/zinc/34/70/51/270347051.db2.gz IAAGBLQLGUSDHE-UHFFFAOYSA-N 2 0 268.788 2.580 20 0 CFADRP CN1CC[NH+](CCCC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000514994445 270359928 /nfs/dbraw/zinc/35/99/28/270359928.db2.gz KQQFKMQJIYCFSS-GOSISDBHSA-N 2 0 293.499 2.572 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000515190585 270364741 /nfs/dbraw/zinc/36/47/41/270364741.db2.gz IXLSSVVVCIZLSW-YYIAUSFCSA-N 2 0 281.488 2.569 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000515311604 270367944 /nfs/dbraw/zinc/36/79/44/270367944.db2.gz PMLDFKFLXPYDMW-ZOBORPQBSA-N 2 0 256.459 2.910 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000516045977 270377015 /nfs/dbraw/zinc/37/70/15/270377015.db2.gz BDYPGFKKWHZQIV-ZENOOKHLSA-N 2 0 274.408 2.790 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000516843164 270388686 /nfs/dbraw/zinc/38/86/86/270388686.db2.gz LMAFMYZQSFMNFJ-HOTGVXAUSA-N 2 0 282.472 2.854 20 0 CFADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000516927805 270391799 /nfs/dbraw/zinc/39/17/99/270391799.db2.gz FBWKDDGIHQGUGP-AWEZNQCLSA-N 2 0 297.402 2.652 20 0 CFADRP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc[nH+]1 ZINC000528118389 270585994 /nfs/dbraw/zinc/58/59/94/270585994.db2.gz QFOAESKCSDYBOI-INIZCTEOSA-N 2 0 259.397 2.631 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423272388 273963560 /nfs/dbraw/zinc/96/35/60/273963560.db2.gz KAHGAECGABAXCS-MLGOLLRUSA-N 2 0 271.408 2.990 20 0 CFADRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)C[C@@H]1[NH3+] ZINC000414765158 274358973 /nfs/dbraw/zinc/35/89/73/274358973.db2.gz PIYFFFWFRKNPPI-SIXLDLHFSA-N 2 0 258.409 2.776 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)CC[C@@H]1[NH3+] ZINC000420291452 274359473 /nfs/dbraw/zinc/35/94/73/274359473.db2.gz NOPDHFDGCWFXLE-RLCCDNCMSA-N 2 0 262.372 2.872 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423400832 274377655 /nfs/dbraw/zinc/37/76/55/274377655.db2.gz QKPAECUKKOXWED-WKPIXPDZSA-N 2 0 264.800 2.915 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000449156201 287752668 /nfs/dbraw/zinc/75/26/68/287752668.db2.gz CYKCVJQGHAERPE-HPFXQQBRSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415089107 274415338 /nfs/dbraw/zinc/41/53/38/274415338.db2.gz MQZZAXKCGQHRIH-VMUDFCTBSA-N 2 0 258.409 2.898 20 0 CFADRP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000335016688 274635690 /nfs/dbraw/zinc/63/56/90/274635690.db2.gz GFAZXVLXISGULE-HGOJYGERSA-N 2 0 264.344 2.507 20 0 CFADRP Cc1cc(NCC2([NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000419001285 274674062 /nfs/dbraw/zinc/67/40/62/274674062.db2.gz AHLVOJSODJDFBO-UHFFFAOYSA-N 2 0 273.355 2.610 20 0 CFADRP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000335460907 274725833 /nfs/dbraw/zinc/72/58/33/274725833.db2.gz HWQWWYPOFTYPPF-AWEZNQCLSA-N 2 0 262.422 2.649 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000414991897 274957784 /nfs/dbraw/zinc/95/77/84/274957784.db2.gz BHFHDFSWWXIZOO-IUIKQTSFSA-N 2 0 278.827 2.914 20 0 CFADRP c1ccc2c(c1)CCSC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214961 275069605 /nfs/dbraw/zinc/06/96/05/275069605.db2.gz PWGFORSIVNPAFB-CZUORRHYSA-N 2 0 276.449 2.606 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C[C@@H]1CCC[NH2+]1 ZINC000423481919 275393893 /nfs/dbraw/zinc/39/38/93/275393893.db2.gz ORSFQEPWHFXTLA-LUKYLMHMSA-N 2 0 280.456 2.704 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CCCC1 ZINC000360972731 275394106 /nfs/dbraw/zinc/39/41/06/275394106.db2.gz CRFCQLWGOBTKDN-IKGGRYGDSA-N 2 0 280.456 2.657 20 0 CFADRP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1(C2CCC2)CCC1 ZINC000423168862 275395579 /nfs/dbraw/zinc/39/55/79/275395579.db2.gz VBGDMNRBWCKPRL-YESZJQIVSA-N 2 0 292.467 2.704 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423454438 275701234 /nfs/dbraw/zinc/70/12/34/275701234.db2.gz YZMOTFSRJYPUOL-HUBLWGQQSA-N 2 0 252.377 2.718 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362924860 275941396 /nfs/dbraw/zinc/94/13/96/275941396.db2.gz QDDUOFMKSIPMMO-UHFFFAOYSA-N 2 0 280.456 2.534 20 0 CFADRP CCCC[C@H](CC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422749490 275984058 /nfs/dbraw/zinc/98/40/58/275984058.db2.gz ZKWYGTQWWXTUFW-LUKYLMHMSA-N 2 0 282.472 2.950 20 0 CFADRP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420380948 276000750 /nfs/dbraw/zinc/00/07/50/276000750.db2.gz XCTFKDUAVCNBGQ-AWEZNQCLSA-N 2 0 262.397 2.612 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423242503 276058256 /nfs/dbraw/zinc/05/82/56/276058256.db2.gz MBTQWCPRAXEQGV-BBWFWOEESA-N 2 0 275.440 2.527 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421800067 276097658 /nfs/dbraw/zinc/09/76/58/276097658.db2.gz GFMVYVLTTNVFEN-INIZCTEOSA-N 2 0 275.440 2.651 20 0 CFADRP CC[NH+](CC)CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179847 276099727 /nfs/dbraw/zinc/09/97/27/276099727.db2.gz XXYBFCWRRFZXSZ-ZWKOTPCHSA-N 2 0 289.467 2.753 20 0 CFADRP CC1(C)C[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422958462 276144624 /nfs/dbraw/zinc/14/46/24/276144624.db2.gz XXBJUXLDCJYHQB-XUWXXGDYSA-N 2 0 286.419 2.878 20 0 CFADRP CC1(C)[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)[C@H]2CCCO[C@H]21 ZINC000376467651 276163168 /nfs/dbraw/zinc/16/31/68/276163168.db2.gz GQASGRHLQQADNO-BRWVUGGUSA-N 2 0 292.467 2.654 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCSC2)CC1 ZINC000061572059 276196862 /nfs/dbraw/zinc/19/68/62/276196862.db2.gz UNDYGIMVMDERMX-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000245639902 276198401 /nfs/dbraw/zinc/19/84/01/276198401.db2.gz YEXFRUZYAWHJTJ-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP CCC(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343981799 276205870 /nfs/dbraw/zinc/20/58/70/276205870.db2.gz MLAUWJTWBHPYAK-IRXDYDNUSA-N 2 0 295.515 2.771 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)C1 ZINC000279672069 276221812 /nfs/dbraw/zinc/22/18/12/276221812.db2.gz FXJHIKOUMUQHHL-ZMSDIMECSA-N 2 0 276.424 2.694 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000247955465 276229901 /nfs/dbraw/zinc/22/99/01/276229901.db2.gz FMFCPFYFMMNIPJ-INMHGKMJSA-N 2 0 288.435 2.873 20 0 CFADRP CCC[N@H+](CCC[NH2+]C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000435876106 276253555 /nfs/dbraw/zinc/25/35/55/276253555.db2.gz HFBCWZYOWZTKOP-ZIAGYGMSSA-N 2 0 256.434 2.512 20 0 CFADRP CC[NH2+]CC1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000430595292 276264170 /nfs/dbraw/zinc/26/41/70/276264170.db2.gz UCQYRINARWROJB-RDJZCZTQSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423377809 276270784 /nfs/dbraw/zinc/27/07/84/276270784.db2.gz KKMMEBBGQHFCRD-MGPQQGTHSA-N 2 0 264.413 2.775 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000337363530 276327972 /nfs/dbraw/zinc/32/79/72/276327972.db2.gz AIPBGKANTIUCPT-CQSZACIVSA-N 2 0 282.428 2.905 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000354669116 276331142 /nfs/dbraw/zinc/33/11/42/276331142.db2.gz KAGAGPRWLNSBGW-LSDHHAIUSA-N 2 0 268.445 2.513 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000348367653 276331638 /nfs/dbraw/zinc/33/16/38/276331638.db2.gz FFCHKKXBVUPBOQ-YESZJQIVSA-N 2 0 282.472 2.903 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C12CCCC2 ZINC000246764674 276352813 /nfs/dbraw/zinc/35/28/13/276352813.db2.gz AUEDVUKOZYELIF-HYVNUMGLSA-N 2 0 292.467 2.798 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ncccc1CC ZINC000356839496 276357836 /nfs/dbraw/zinc/35/78/36/276357836.db2.gz IVKCEELZTSBYLO-GOEBONIOSA-N 2 0 293.455 2.651 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000361969733 276357851 /nfs/dbraw/zinc/35/78/51/276357851.db2.gz TZONZRDDMABXQX-DJIMGWMZSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000247106945 276357934 /nfs/dbraw/zinc/35/79/34/276357934.db2.gz OWXZKFIAJXUJRT-RRFJBIMHSA-N 2 0 256.434 2.510 20 0 CFADRP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163441036 276380162 /nfs/dbraw/zinc/38/01/62/276380162.db2.gz CWSQLPCRFAZVTL-DZGCQCFKSA-N 2 0 262.397 2.502 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337996892 276384389 /nfs/dbraw/zinc/38/43/89/276384389.db2.gz ZXKDHCHQWOHQSU-IRXDYDNUSA-N 2 0 299.478 2.522 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000246532158 276395867 /nfs/dbraw/zinc/39/58/67/276395867.db2.gz VLDQBMUHGLDPHJ-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CC2(SC)CCC2)[C@@H](C)C1 ZINC000356118772 276398882 /nfs/dbraw/zinc/39/88/82/276398882.db2.gz YECIOGVNPJUYEU-KBPBESRZSA-N 2 0 270.486 2.934 20 0 CFADRP CC[C@@H](NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422835877 276434586 /nfs/dbraw/zinc/43/45/86/276434586.db2.gz JHLNJUVHZAFPES-SJORKVTESA-N 2 0 279.472 2.514 20 0 CFADRP CC[C@@H]([NH2+]CC1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422806424 276435509 /nfs/dbraw/zinc/43/55/09/276435509.db2.gz IHKAAZOCOYUNHK-CVEARBPZSA-N 2 0 258.409 2.838 20 0 CFADRP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)CCC[NH3+] ZINC000422947138 276694216 /nfs/dbraw/zinc/69/42/16/276694216.db2.gz PUQSMJRCEMCLHP-DOMZBBRYSA-N 2 0 262.397 2.790 20 0 CFADRP CCc1noc(C2CCC([NH2+]C3CCC([NH3+])CC3)CC2)n1 ZINC000328603592 276704686 /nfs/dbraw/zinc/70/46/86/276704686.db2.gz HWDDUBSRKUSMHI-UHFFFAOYSA-N 2 0 292.427 2.518 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367045131 277023483 /nfs/dbraw/zinc/02/34/83/277023483.db2.gz ZIENTHHFLDHDBF-AEFFLSMTSA-N 2 0 285.435 2.959 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340208107 277065068 /nfs/dbraw/zinc/06/50/68/277065068.db2.gz ZGVHBSCGNXYLFQ-KSZLIROESA-N 2 0 287.451 2.506 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCC(F)(F)C3)CC[C@H]21 ZINC000450504203 277068942 /nfs/dbraw/zinc/06/89/42/277068942.db2.gz UDWWFMCNYUUTEP-MGPQQGTHSA-N 2 0 272.383 2.838 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000272741914 277082922 /nfs/dbraw/zinc/08/29/22/277082922.db2.gz LCZJBYMYYIQSCJ-CYBMUJFWSA-N 2 0 277.412 2.637 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423363777 277083635 /nfs/dbraw/zinc/08/36/35/277083635.db2.gz AKIMNPPAUBXUJI-SGIREYDYSA-N 2 0 275.396 2.566 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H]2CCC[C@@H]21 ZINC000353666893 277171642 /nfs/dbraw/zinc/17/16/42/277171642.db2.gz AJHWRPPUJBXBFY-AJNGGQMLSA-N 2 0 268.470 2.735 20 0 CFADRP COC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCC1 ZINC000361545129 277185350 /nfs/dbraw/zinc/18/53/50/277185350.db2.gz ZMOONDPLHDFZCT-DOTOQJQBSA-N 2 0 292.467 2.894 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC000368351732 277185586 /nfs/dbraw/zinc/18/55/86/277185586.db2.gz JYNDLYCQQGLNDK-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000346551879 277206882 /nfs/dbraw/zinc/20/68/82/277206882.db2.gz HKRRPMSFDYEDDY-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP COC[C@@]1(C[NH2+][C@@H](C)CCC2CCCC2)CCC[NH2+]1 ZINC000414959533 277256483 /nfs/dbraw/zinc/25/64/83/277256483.db2.gz SJCUZAROPBTUMC-HOCLYGCPSA-N 2 0 268.445 2.704 20 0 CFADRP COCc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000038010666 277270856 /nfs/dbraw/zinc/27/08/56/277270856.db2.gz GRKKJFZCQDRIIJ-AWEZNQCLSA-N 2 0 276.424 2.653 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](CCC2C[C@@H](C)C[C@H](C)C2)C1 ZINC000430971996 277279787 /nfs/dbraw/zinc/27/97/87/277279787.db2.gz QSZFHTMBKKQVFV-DZKIICNBSA-N 2 0 252.446 2.990 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423283146 277282788 /nfs/dbraw/zinc/28/27/88/277282788.db2.gz XINQIBMLXQVQAW-IINYFYTJSA-N 2 0 252.789 2.772 20 0 CFADRP COC(=O)C1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000414815965 277311759 /nfs/dbraw/zinc/31/17/59/277311759.db2.gz VSIOACQIOXXGAB-UHFFFAOYSA-N 2 0 296.455 2.620 20 0 CFADRP CO[C@H](CC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(F)(F)F ZINC000423076789 277327423 /nfs/dbraw/zinc/32/74/23/277327423.db2.gz ZTZUIMOTJBPYEB-FRRDWIJNSA-N 2 0 296.377 2.854 20 0 CFADRP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000415087116 277333346 /nfs/dbraw/zinc/33/33/46/277333346.db2.gz KMBHPKCGWKLIAE-ABAIWWIYSA-N 2 0 282.815 2.758 20 0 CFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449416804 277344198 /nfs/dbraw/zinc/34/41/98/277344198.db2.gz VNWOLFMHUPYHDK-CVEARBPZSA-N 2 0 296.455 2.571 20 0 CFADRP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000361266070 277360170 /nfs/dbraw/zinc/36/01/70/277360170.db2.gz LWAXPEQNCMHDHS-IAGOWNOFSA-N 2 0 282.472 2.734 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293788416 277430366 /nfs/dbraw/zinc/43/03/66/277430366.db2.gz UHUDLFMWWOOBPU-LTCOOKNTSA-N 2 0 290.451 2.975 20 0 CFADRP COCC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000337388659 277555638 /nfs/dbraw/zinc/55/56/38/277555638.db2.gz JMARQFDBMQWGBM-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP COC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)C1CCCC1 ZINC000423416709 277569579 /nfs/dbraw/zinc/56/95/79/277569579.db2.gz DEXARRWEYTXDEY-IIAWOOMASA-N 2 0 268.445 2.546 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000093513876 277584911 /nfs/dbraw/zinc/58/49/11/277584911.db2.gz UYPAOWVOCBYEME-DOTOQJQBSA-N 2 0 281.488 2.760 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000337295168 277610658 /nfs/dbraw/zinc/61/06/58/277610658.db2.gz ABSHSLBPFDDYAW-IRXDYDNUSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCCC1 ZINC000090523606 277615643 /nfs/dbraw/zinc/61/56/43/277615643.db2.gz ATZSYSCRIKDNRY-OLMNPRSZSA-N 2 0 294.483 2.923 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335042686 277762439 /nfs/dbraw/zinc/76/24/39/277762439.db2.gz UMKBUBDDIFZBKZ-QAPCUYQASA-N 2 0 287.451 2.633 20 0 CFADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423394001 277847949 /nfs/dbraw/zinc/84/79/49/277847949.db2.gz ZEMGXYPNQGZWCQ-NVBFEUDRSA-N 2 0 278.371 2.552 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423483992 277988802 /nfs/dbraw/zinc/98/88/02/277988802.db2.gz QOZFZVISBKYNSL-RHSMWYFYSA-N 2 0 274.408 2.804 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423453559 277989287 /nfs/dbraw/zinc/98/92/87/277989287.db2.gz AQCZIKABVCHGGP-DXCKQFNASA-N 2 0 274.408 2.790 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000423375005 277990768 /nfs/dbraw/zinc/99/07/68/277990768.db2.gz IOGNHEHYCBYZON-JJRVBVJISA-N 2 0 274.408 2.932 20 0 CFADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423373525 277996418 /nfs/dbraw/zinc/99/64/18/277996418.db2.gz HCVJDJDEPVOIHY-SUNKGSAMSA-N 2 0 278.371 2.552 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC[N@@H+]1C ZINC000414191898 278026259 /nfs/dbraw/zinc/02/62/59/278026259.db2.gz LOHWQNYLEJHTQW-BVUBDWEXSA-N 2 0 250.430 2.885 20 0 CFADRP CSC(C)(C)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000134008954 278122056 /nfs/dbraw/zinc/12/20/56/278122056.db2.gz RBQYROISRNPUQL-STQMWFEESA-N 2 0 250.411 2.862 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC(C)(C)C2)CC[NH+](C)CC1 ZINC000353623033 278125503 /nfs/dbraw/zinc/12/55/03/278125503.db2.gz ABNCWNAFPITSBO-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCCC[C@H]2C)CC[NH+](C)CC1 ZINC000353612971 278125775 /nfs/dbraw/zinc/12/57/75/278125775.db2.gz ULQNJNNSWMQIPO-ZIAGYGMSSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367709 278220886 /nfs/dbraw/zinc/22/08/86/278220886.db2.gz NLVKCQCBWFYVFN-KCPJHIHWSA-N 2 0 250.361 2.616 20 0 CFADRP C[C@@H](CC1CCCCC1)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489965192 278224759 /nfs/dbraw/zinc/22/47/59/278224759.db2.gz LJFPIGGIZSVADD-WMZOPIPTSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCCc2ccccc21 ZINC000423015922 278228018 /nfs/dbraw/zinc/22/80/18/278228018.db2.gz LWSINPZUVCPCHJ-WMLDXEAASA-N 2 0 260.425 2.998 20 0 CFADRP C[C@H]([NH3+])c1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1 ZINC000424345021 278231963 /nfs/dbraw/zinc/23/19/63/278231963.db2.gz DMRQAYSNGVCUOF-NSHDSACASA-N 2 0 286.379 2.874 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000423291137 278232557 /nfs/dbraw/zinc/23/25/57/278232557.db2.gz GZNRXCFPUVGIDW-VIBAHUMZSA-N 3 0 287.451 2.669 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1(C)CC1 ZINC000090523435 278254567 /nfs/dbraw/zinc/25/45/67/278254567.db2.gz GEVJAZFQPBWVQT-IMJJTQAJSA-N 2 0 280.456 2.533 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)[C@H]1CCCO1 ZINC000336813699 278257274 /nfs/dbraw/zinc/25/72/74/278257274.db2.gz VGLZHQWLOUBQPY-GOEBONIOSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000161800242 278257366 /nfs/dbraw/zinc/25/73/66/278257366.db2.gz FTGMQAZWZQHJSB-HNNXBMFYSA-N 2 0 268.445 2.513 20 0 CFADRP CC1(C)CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000364853709 278279957 /nfs/dbraw/zinc/27/99/57/278279957.db2.gz GFQDCJOUPBKURG-CABCVRRESA-N 2 0 250.430 2.983 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000132237955 278318184 /nfs/dbraw/zinc/31/81/84/278318184.db2.gz KDRZRJFPBLVAGL-OCCSQVGLSA-N 2 0 274.408 2.569 20 0 CFADRP CC(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335425357 278327463 /nfs/dbraw/zinc/32/74/63/278327463.db2.gz KCQITQUOJNXMPF-RHSMWYFYSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000377567545 278335415 /nfs/dbraw/zinc/33/54/15/278335415.db2.gz PIPUGSRZTWGNFG-UAGQMJEPSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000261874409 278335923 /nfs/dbraw/zinc/33/59/23/278335923.db2.gz VPNPQFYPVYCSHU-NWDGAFQWSA-N 2 0 278.362 2.896 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000449727964 278340991 /nfs/dbraw/zinc/34/09/91/278340991.db2.gz SLZXUFOBUIFKCX-UHFFFAOYSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000449508447 278341585 /nfs/dbraw/zinc/34/15/85/278341585.db2.gz NFMAPPRSMCVNKK-DLBZAZTESA-N 2 0 294.483 2.636 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194089645 278341854 /nfs/dbraw/zinc/34/18/54/278341854.db2.gz YGZBOFPTHRQCPG-BZUAXINKSA-N 2 0 292.467 2.797 20 0 CFADRP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133029158 278350526 /nfs/dbraw/zinc/35/05/26/278350526.db2.gz JXVNBJVEBIUVOM-JYJNAYRXSA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]1CCSCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000429778093 278376445 /nfs/dbraw/zinc/37/64/45/278376445.db2.gz YNPKVPAHPWHVSG-AWEZNQCLSA-N 2 0 256.459 2.690 20 0 CFADRP CC1(C)Cc2occc2[C@H]([NH2+]CC2=CC[NH2+]CC2)C1 ZINC000335522565 278399955 /nfs/dbraw/zinc/39/99/55/278399955.db2.gz WJBACQLVJDZWKT-CQSZACIVSA-N 2 0 260.381 2.802 20 0 CFADRP CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000232873986 278462286 /nfs/dbraw/zinc/46/22/86/278462286.db2.gz LUYPLBZIEUNTMP-UHFFFAOYSA-N 2 0 259.397 2.830 20 0 CFADRP CC1CC[NH+](CCC[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000367110779 278540535 /nfs/dbraw/zinc/54/05/35/278540535.db2.gz YPTJVOBRSAILMS-INIZCTEOSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2sccc21 ZINC000335157287 278587750 /nfs/dbraw/zinc/58/77/50/278587750.db2.gz BGKFLUBXIYQMQL-TZMCWYRMSA-N 2 0 294.464 2.733 20 0 CFADRP CCC(CC)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153877733 278593303 /nfs/dbraw/zinc/59/33/03/278593303.db2.gz JEUYINHRQXRWPK-IAGOWNOFSA-N 2 0 295.515 2.913 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(C(=O)OC)cc1 ZINC000423454211 288058443 /nfs/dbraw/zinc/05/84/43/288058443.db2.gz LJEBJRYKCMVTBN-WFASDCNBSA-N 2 0 278.396 2.641 20 0 CFADRP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCC[NH3+] ZINC000423188637 278692921 /nfs/dbraw/zinc/69/29/21/278692921.db2.gz LWIGQMCJTSPFMQ-ZDUSSCGKSA-N 2 0 268.788 2.801 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000310502060 278695940 /nfs/dbraw/zinc/69/59/40/278695940.db2.gz MRCFLPBYOXYEMM-OCCSQVGLSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423389360 278841871 /nfs/dbraw/zinc/84/18/71/278841871.db2.gz JKBIIXFUQTUKQM-DAXOMENPSA-N 2 0 259.397 2.510 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)C1(C)C ZINC000085401473 278928382 /nfs/dbraw/zinc/92/83/82/278928382.db2.gz QAJBBDAHQKEZIJ-HUUCEWRRSA-N 2 0 270.461 2.758 20 0 CFADRP CCC[C@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000450608761 278947263 /nfs/dbraw/zinc/94/72/63/278947263.db2.gz JHGWULNLZWYDIR-KRWDZBQOSA-N 2 0 282.472 2.735 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423320644 279022361 /nfs/dbraw/zinc/02/23/61/279022361.db2.gz FTKOGLVMXBGXHY-KBRIMQKVSA-N 2 0 258.409 2.899 20 0 CFADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261624 279023599 /nfs/dbraw/zinc/02/35/99/279023599.db2.gz SNJRWEHGEOVGML-KEYYUXOJSA-N 2 0 258.409 2.899 20 0 CFADRP CC[N@H+](CC(C)C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296941 279063571 /nfs/dbraw/zinc/06/35/71/279063571.db2.gz CRDRPVPUPFDECW-HNNXBMFYSA-N 2 0 264.413 2.715 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419375070 279095468 /nfs/dbraw/zinc/09/54/68/279095468.db2.gz PWZBROBLTTXFPH-HNNXBMFYSA-N 2 0 270.486 2.936 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000349689885 279109333 /nfs/dbraw/zinc/10/93/33/279109333.db2.gz DKPBSKOIIZFTDB-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)C[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000162854624 279112103 /nfs/dbraw/zinc/11/21/03/279112103.db2.gz WKOZJMDEELLOKR-ARFHVFGLSA-N 2 0 270.461 2.900 20 0 CFADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424072609 279136279 /nfs/dbraw/zinc/13/62/79/279136279.db2.gz DFZJPSDOTNHRLT-HZPDHXFCSA-N 2 0 297.487 2.554 20 0 CFADRP C[C@@]1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCS1 ZINC000122108476 279161444 /nfs/dbraw/zinc/16/14/44/279161444.db2.gz AGLSUZSUSKANBC-INIZCTEOSA-N 2 0 291.464 2.926 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422792721 279256917 /nfs/dbraw/zinc/25/69/17/279256917.db2.gz WEQZEGMPLFALLP-KURKYZTESA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH+]1CCC(N(C)C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450464002 279258202 /nfs/dbraw/zinc/25/82/02/279258202.db2.gz UXSYXMMZFXCVHA-QGZVFWFLSA-N 2 0 281.488 2.665 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000449130893 279362584 /nfs/dbraw/zinc/36/25/84/279362584.db2.gz IPIJUQVTYXVRDO-XWTMOSNGSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422907782 279368691 /nfs/dbraw/zinc/36/86/91/279368691.db2.gz XNGULXDIVZUAMM-KOZAUXTDSA-N 2 0 260.381 2.678 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888401 279370103 /nfs/dbraw/zinc/37/01/03/279370103.db2.gz CPDSFFPCNSELHA-LSDHHAIUSA-N 2 0 290.455 2.677 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414818464 279381761 /nfs/dbraw/zinc/38/17/61/279381761.db2.gz FBFUXFDUXHXCFR-VNHYZAJKSA-N 2 0 264.388 2.734 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCSCC2)cc1 ZINC000414815852 279422813 /nfs/dbraw/zinc/42/28/13/279422813.db2.gz YNBNOXNENGHGAC-NSHDSACASA-N 2 0 250.411 2.692 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000423291323 279422874 /nfs/dbraw/zinc/42/28/74/279422874.db2.gz HWGXGILCCWVRQO-BLLLJJGKSA-N 2 0 284.407 2.607 20 0 CFADRP C[C@H]([NH2+]CCC1Cc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000423018763 279465956 /nfs/dbraw/zinc/46/59/56/279465956.db2.gz ZQLIOTUTCIUXSH-SUMWQHHRSA-N 2 0 258.409 2.522 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000422817265 279483948 /nfs/dbraw/zinc/48/39/48/279483948.db2.gz HDBVRMWSFGOHIQ-UMNHJUIQSA-N 2 0 264.335 2.553 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000089139947 279638099 /nfs/dbraw/zinc/63/80/99/279638099.db2.gz MKNGNXRRKRERJW-DZGCQCFKSA-N 2 0 266.816 2.990 20 0 CFADRP C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000336574672 288151335 /nfs/dbraw/zinc/15/13/35/288151335.db2.gz RPGDSCZGJNEMHD-AEFFLSMTSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000353612842 279654990 /nfs/dbraw/zinc/65/49/90/279654990.db2.gz SWIKKVBGZDMEIE-YOEHRIQHSA-N 2 0 290.455 2.585 20 0 CFADRP [NH3+][C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)c2ccccc21 ZINC000335043072 279691295 /nfs/dbraw/zinc/69/12/95/279691295.db2.gz MLHQOQPLVFMDLL-ZWKOTPCHSA-N 2 0 285.435 2.738 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C12CCCC2 ZINC000423541659 279878188 /nfs/dbraw/zinc/87/81/88/279878188.db2.gz LHADQTMAZKOVHU-ZOFXXKQRSA-N 2 0 292.467 2.702 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000423224093 279905796 /nfs/dbraw/zinc/90/57/96/279905796.db2.gz IFCKGLVOOHGNJD-IINYFYTJSA-N 2 0 277.368 2.557 20 0 CFADRP C[C@H]1Cc2ccc(F)cc2[C@@H]1[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423503995 280024770 /nfs/dbraw/zinc/02/47/70/280024770.db2.gz FROSJYSFRNEEOC-JQHQGBHXSA-N 2 0 276.399 2.976 20 0 CFADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152415295 280035897 /nfs/dbraw/zinc/03/58/97/280035897.db2.gz XOJFXTBFMPHNJD-DEYYWGMASA-N 2 0 270.420 2.994 20 0 CFADRP C[C@H]1[N@H+](CC[C@H]2CCCC[NH+]2C)CCC12CCOCC2 ZINC000334254146 280037736 /nfs/dbraw/zinc/03/77/36/280037736.db2.gz XSNXCKAVVPEKPO-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCS[C@@H]1CCCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178972959 280043020 /nfs/dbraw/zinc/04/30/20/280043020.db2.gz BBVUEYSDUIDIBW-CQSZACIVSA-N 2 0 256.459 2.594 20 0 CFADRP CC[C@@H](COC)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158598602 280153348 /nfs/dbraw/zinc/15/33/48/280153348.db2.gz XNPCCEDWMCVNSU-XHSDSOJGSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000415106811 280173585 /nfs/dbraw/zinc/17/35/85/280173585.db2.gz JYVATVQXUIXNAK-KSZLIROESA-N 2 0 288.435 2.546 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371604379 280265612 /nfs/dbraw/zinc/26/56/12/280265612.db2.gz DEVSFEOZKOAGSQ-NUJGCVRESA-N 2 0 293.499 2.713 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401001333 280266227 /nfs/dbraw/zinc/26/62/27/280266227.db2.gz BNYSYTOWLBNTNW-JKJDWNRSSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423388775 280268665 /nfs/dbraw/zinc/26/86/65/280268665.db2.gz IUAZWZHVUVMYPP-XKQJLSEDSA-N 2 0 278.415 2.980 20 0 CFADRP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000430726532 280319546 /nfs/dbraw/zinc/31/95/46/280319546.db2.gz WKGHYFUSQZVECH-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423265175 280325931 /nfs/dbraw/zinc/32/59/31/280325931.db2.gz ZMOCGLFIHJFEKD-HOCLYGCPSA-N 2 0 261.413 2.758 20 0 CFADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000422985688 280493428 /nfs/dbraw/zinc/49/34/28/280493428.db2.gz FUMQXEZREJHNRM-YXJHDRRASA-N 2 0 284.403 2.941 20 0 CFADRP Cc1csc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000088579455 280560309 /nfs/dbraw/zinc/56/03/09/280560309.db2.gz FOMQPTCWGJXBAE-UHFFFAOYSA-N 2 0 267.442 2.615 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000186593417 280848728 /nfs/dbraw/zinc/84/87/28/280848728.db2.gz XXYUAMWNNUQEAD-SJLPKXTDSA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)CCC[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186597866 280849111 /nfs/dbraw/zinc/84/91/11/280849111.db2.gz CDJMLUHFEFJZQV-SJORKVTESA-N 2 0 283.504 2.817 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000191268474 280897468 /nfs/dbraw/zinc/89/74/68/280897468.db2.gz HDZPOEIDWPJVJJ-CYBMUJFWSA-N 2 0 292.471 2.939 20 0 CFADRP CCC(CC)(CC)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000191577777 280900711 /nfs/dbraw/zinc/90/07/11/280900711.db2.gz PSCWHUCODZFAJH-UHFFFAOYSA-N 2 0 283.504 2.961 20 0 CFADRP CC1(C)CC([NH2+][C@@H]2CCOC3(CCC3)C2)CC(C)(C)[NH2+]1 ZINC000336205140 280913563 /nfs/dbraw/zinc/91/35/63/280913563.db2.gz MKVWODIZKKSQCZ-CYBMUJFWSA-N 2 0 280.456 2.987 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000226349886 280935137 /nfs/dbraw/zinc/93/51/37/280935137.db2.gz BJAKNUBTVUWWCO-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000234802797 280939945 /nfs/dbraw/zinc/93/99/45/280939945.db2.gz QKPWODYRWMOBKB-JSGCOSHPSA-N 2 0 282.453 2.813 20 0 CFADRP COCC[C@@H](C)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246915428 281000962 /nfs/dbraw/zinc/00/09/62/281000962.db2.gz GLQSDIOPRGGXHB-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423372862 281001826 /nfs/dbraw/zinc/00/18/26/281001826.db2.gz BLEOJTPQLMTRCS-QKPAOTATSA-N 2 0 292.467 2.702 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000247033131 281003367 /nfs/dbraw/zinc/00/33/67/281003367.db2.gz MIBISIHUECXILT-BRSBDYLESA-N 3 0 295.515 2.959 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Oc1ccc(F)cc1 ZINC000247093744 281005698 /nfs/dbraw/zinc/00/56/98/281005698.db2.gz OFUOWXZXHHDHCU-ZOMKSWQUSA-N 2 0 294.414 2.911 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000247170252 281006308 /nfs/dbraw/zinc/00/63/08/281006308.db2.gz SMLSSKXRQSZPLT-ZQIUZPCESA-N 2 0 294.414 2.913 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000247222693 281007384 /nfs/dbraw/zinc/00/73/84/281007384.db2.gz XVMXSGRTOKNYRN-KURKYZTESA-N 3 0 295.515 2.961 20 0 CFADRP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000248427128 281021726 /nfs/dbraw/zinc/02/17/26/281021726.db2.gz OOZSGOFEERPFKU-XHSDSOJGSA-N 2 0 250.430 2.910 20 0 CFADRP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248654381 281031006 /nfs/dbraw/zinc/03/10/06/281031006.db2.gz ZOCNQAIPEKFOKF-CONSUJBKSA-N 2 0 294.483 2.946 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000248930168 281041049 /nfs/dbraw/zinc/04/10/49/281041049.db2.gz XSKGUVXPHACPML-RBSFLKMASA-N 2 0 268.445 2.510 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccnn1C ZINC000249032828 281045046 /nfs/dbraw/zinc/04/50/46/281045046.db2.gz ROBAEOGUYPHGQN-OWCLPIDISA-N 2 0 292.471 2.829 20 0 CFADRP COC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249452208 281058052 /nfs/dbraw/zinc/05/80/52/281058052.db2.gz CPQXKBFUSJBNQT-ILXRZTDVSA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@@H](C)C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000249858182 281067922 /nfs/dbraw/zinc/06/79/22/281067922.db2.gz QMQLYXQFCUTHPL-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP COC[C@H](C)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249945166 281068860 /nfs/dbraw/zinc/06/88/60/281068860.db2.gz UFOMSIRZSBYLBV-SJLPKXTDSA-N 2 0 290.451 2.723 20 0 CFADRP CC(C)C[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000251350222 281071947 /nfs/dbraw/zinc/07/19/47/281071947.db2.gz BHVVJEUXURANBO-BRWVUGGUSA-N 2 0 283.504 2.863 20 0 CFADRP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000259101194 281111182 /nfs/dbraw/zinc/11/11/82/281111182.db2.gz UQWSTXSIXRAOQY-KRWDZBQOSA-N 2 0 260.425 2.974 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1csc2ccccc12 ZINC000259098598 281111331 /nfs/dbraw/zinc/11/13/31/281111331.db2.gz SAQVERSVIBZBBT-KGLIPLIRSA-N 2 0 260.406 2.913 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H](C)C2 ZINC000423507461 281124048 /nfs/dbraw/zinc/12/40/48/281124048.db2.gz MTYJIRIAQJKQSP-YOKBYHGQSA-N 2 0 258.409 2.945 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](C)C2 ZINC000423374098 281124117 /nfs/dbraw/zinc/12/41/17/281124117.db2.gz HROFGZDALRINOK-YOKBYHGQSA-N 2 0 258.409 2.958 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000305149670 281150827 /nfs/dbraw/zinc/15/08/27/281150827.db2.gz SXJVVXHFMHRBJN-RRFJBIMHSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCC12CCC2)N1CC[NH+](C)CC1 ZINC000394728454 281195008 /nfs/dbraw/zinc/19/50/08/281195008.db2.gz GAELKWRPAUVOEW-SJORKVTESA-N 2 0 293.499 2.571 20 0 CFADRP C[N@H+](CCC[NH2+][C@H]1COC(C)(C)C1)C1CCCCC1 ZINC000396808075 281198204 /nfs/dbraw/zinc/19/82/04/281198204.db2.gz MZZYYQOVGQJAGO-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000396934906 281199075 /nfs/dbraw/zinc/19/90/75/281199075.db2.gz FXDBGFWREFRBRF-DCAQKATOSA-N 2 0 252.324 2.647 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422929376 281222463 /nfs/dbraw/zinc/22/24/63/281222463.db2.gz PPZAJQNRFBLNPD-LPHOPBHVSA-N 2 0 298.430 2.922 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)CCC[NH3+])c1nc(-c2ccccc2)no1 ZINC000423010715 281223318 /nfs/dbraw/zinc/22/33/18/281223318.db2.gz HGHJBGMVFXSQFU-OLZOCXBDSA-N 2 0 288.395 2.557 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423011664 281223394 /nfs/dbraw/zinc/22/33/94/281223394.db2.gz BKCJXTNKKNFJSK-TZTCFGBESA-N 2 0 298.789 2.507 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000423009723 281223416 /nfs/dbraw/zinc/22/34/16/281223416.db2.gz DNXTUUVHFMKSBG-LZWOXQAQSA-N 2 0 291.414 2.512 20 0 CFADRP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000093944714 281233297 /nfs/dbraw/zinc/23/32/97/281233297.db2.gz CDNRMLKWEJRQGI-SQNIBIBYSA-N 2 0 295.515 2.818 20 0 CFADRP CC[C@@H]1C[C@@H](C[N@H+](CC)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000435393127 281235098 /nfs/dbraw/zinc/23/50/98/281235098.db2.gz ZDONXOBPDVYWSS-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccn3)C2)[nH+]1 ZINC000237749331 281246923 /nfs/dbraw/zinc/24/69/23/281246923.db2.gz NUCBIFSTBWCBPG-OAHLLOKOSA-N 2 0 282.391 2.719 20 0 CFADRP Cn1cncc1CCN1CCc2c3ccccc3[nH]c2C1 ZINC000459379803 281259680 /nfs/dbraw/zinc/25/96/80/281259680.db2.gz AUGDIUNVSCVGLV-UHFFFAOYSA-N 2 0 280.375 2.502 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOCC3CCCC3)C2)C1 ZINC000459482530 281267108 /nfs/dbraw/zinc/26/71/08/281267108.db2.gz CQKZPYMWGWFVGB-QGZVFWFLSA-N 2 0 280.456 2.611 20 0 CFADRP c1cc2cccc(C[NH2+][C@H]3CCc4nc[nH]c4C3)c2[nH]1 ZINC000514893110 281288552 /nfs/dbraw/zinc/28/85/52/281288552.db2.gz CJYNVZUUYLOQMW-ZDUSSCGKSA-N 2 0 266.348 2.538 20 0 CFADRP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@H](C)O)C2)s1 ZINC000514942382 281289121 /nfs/dbraw/zinc/28/91/21/281289121.db2.gz YKCBZENZWVQKIX-ZFWWWQNUSA-N 2 0 296.480 2.581 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000290178824 281299723 /nfs/dbraw/zinc/29/97/23/281299723.db2.gz NILJSFOHNXPRME-YALNPMBYSA-N 2 0 288.435 2.617 20 0 CFADRP Cc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000290290017 281300183 /nfs/dbraw/zinc/30/01/83/281300183.db2.gz XWWAVFCTODFBTI-BBWFWOEESA-N 2 0 286.419 2.515 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000518396558 281308323 /nfs/dbraw/zinc/30/83/23/281308323.db2.gz IDFYZUGNSBAVPI-KSZLIROESA-N 2 0 283.419 2.699 20 0 CFADRP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420259909 281309277 /nfs/dbraw/zinc/30/92/77/281309277.db2.gz MYPUUWSJMQJSFI-LSDHHAIUSA-N 2 0 281.403 2.897 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC000520197384 281309519 /nfs/dbraw/zinc/30/95/19/281309519.db2.gz MOVPTZQSLFODGJ-LSDHHAIUSA-N 2 0 288.435 2.832 20 0 CFADRP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000527000188 281323153 /nfs/dbraw/zinc/32/31/53/281323153.db2.gz CAJOTUOUGMESEA-UKRRQHHQSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000527524477 281333941 /nfs/dbraw/zinc/33/39/41/281333941.db2.gz WNDYWWYUGUAGPO-AWEZNQCLSA-N 2 0 288.439 2.824 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527656295 281338134 /nfs/dbraw/zinc/33/81/34/281338134.db2.gz XPQPEJLOWZWAAT-RYUDHWBXSA-N 2 0 262.388 2.988 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000414944018 288323128 /nfs/dbraw/zinc/32/31/28/288323128.db2.gz OVVWDTOIYXCZMC-LAVFITLUSA-N 2 0 272.436 2.985 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414949352 288323189 /nfs/dbraw/zinc/32/31/89/288323189.db2.gz ZZJFZZXHWJMLFK-MVJTYMMSSA-N 2 0 293.499 2.617 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000335004441 288325198 /nfs/dbraw/zinc/32/51/98/288325198.db2.gz CMLPANYNXCOWBL-CXAGYDPISA-N 2 0 258.409 2.522 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000531944525 281442256 /nfs/dbraw/zinc/44/22/56/281442256.db2.gz VLAVKZAFESVDDJ-KRWDZBQOSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000531984609 281444487 /nfs/dbraw/zinc/44/44/87/281444487.db2.gz XFFHFAFBDZAXPC-WBVHZDCISA-N 2 0 280.456 2.654 20 0 CFADRP CCCC[C@H](CC)CC[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000538850360 281561537 /nfs/dbraw/zinc/56/15/37/281561537.db2.gz CCKZAUNYHNLFQX-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CCCCCC1 ZINC000541548920 281605731 /nfs/dbraw/zinc/60/57/31/281605731.db2.gz CZAOXUQCMZSCOA-MRXNPFEDSA-N 2 0 295.515 2.961 20 0 CFADRP CCn1ccnc1[C@H](C)[NH2+]CCC1CC[NH+](CC)CC1 ZINC000453113535 281649481 /nfs/dbraw/zinc/64/94/81/281649481.db2.gz FBRLARQUUWEEAH-AWEZNQCLSA-N 2 0 278.444 2.676 20 0 CFADRP C[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO[C@H]1C1CC1 ZINC000546648977 281715622 /nfs/dbraw/zinc/71/56/22/281715622.db2.gz PRMUWLXDSGGZJM-ROUUACIJSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000546691668 281717263 /nfs/dbraw/zinc/71/72/63/281717263.db2.gz VMBOCGFVGLRJSO-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548885467 281806608 /nfs/dbraw/zinc/80/66/08/281806608.db2.gz YBJHGSPVMSJKPK-ARFHVFGLSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000554444865 281892016 /nfs/dbraw/zinc/89/20/16/281892016.db2.gz YWEBCIMMLOLRJS-AEFFLSMTSA-N 2 0 294.483 2.902 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000558242015 281978559 /nfs/dbraw/zinc/97/85/59/281978559.db2.gz WQXZMORCRNEKAS-IKGGRYGDSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[C@@H](C)O1 ZINC000558698474 281992305 /nfs/dbraw/zinc/99/23/05/281992305.db2.gz ALELRHJIDHNOMP-NQNKBUKLSA-N 2 0 280.456 2.654 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)C1CCOCC1 ZINC000560038218 282014224 /nfs/dbraw/zinc/01/42/24/282014224.db2.gz GIUSOFWDQLBAKQ-JKSUJKDBSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1nc2c(s1)CCC[C@@H]2C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000366483260 282025701 /nfs/dbraw/zinc/02/57/01/282025701.db2.gz PYDKYRUSAXQKPC-YUTCNCBUSA-N 2 0 293.480 2.944 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000560518571 282032538 /nfs/dbraw/zinc/03/25/38/282032538.db2.gz DLJOUERGXWFVPB-HOTGVXAUSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423535528 282033205 /nfs/dbraw/zinc/03/32/05/282033205.db2.gz DBDJTZBGMGIZLK-ZDUSSCGKSA-N 2 0 277.437 2.728 20 0 CFADRP C[N@H+](CCNc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000560688464 282039606 /nfs/dbraw/zinc/03/96/06/282039606.db2.gz LHGUMAGDFXIHPS-UHFFFAOYSA-N 2 0 272.396 2.661 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCC2 ZINC000335486552 282044267 /nfs/dbraw/zinc/04/42/67/282044267.db2.gz HNGHHLZLENZJGF-IUODEOHRSA-N 2 0 279.453 2.808 20 0 CFADRP CC(C)[C@H](CO)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000562056175 282065904 /nfs/dbraw/zinc/06/59/04/282065904.db2.gz CQFFXESBDRQYLE-XYJFISCASA-N 2 0 296.499 2.884 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCOC3(CCC3)C2)CCCC1 ZINC000449241481 282075211 /nfs/dbraw/zinc/07/52/11/282075211.db2.gz BBQYQWIGRQSWNU-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP C[NH+](C)CC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCCC1 ZINC000423040744 282075444 /nfs/dbraw/zinc/07/54/44/282075444.db2.gz VAVRSQNPGOKUFP-SJORKVTESA-N 2 0 287.451 2.843 20 0 CFADRP COCC[C@H](C)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423169695 292665915 /nfs/dbraw/zinc/66/59/15/292665915.db2.gz KDXAOTAHPLJSOX-RRFJBIMHSA-N 2 0 256.434 2.559 20 0 CFADRP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000348243946 289006382 /nfs/dbraw/zinc/00/63/82/289006382.db2.gz MGMPJIAKKJSPRV-IJLUTSLNSA-N 2 0 264.335 2.743 20 0 CFADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCC(C)(C)C ZINC000337174472 289331891 /nfs/dbraw/zinc/33/18/91/289331891.db2.gz HFZOLLYFQFDXAD-OWCLPIDISA-N 2 0 282.472 2.996 20 0 CFADRP C[C@H](CC[NH2+][C@H]1CCOC2(CCC2)C1)[NH+]1CCCCC1 ZINC000449239902 289492415 /nfs/dbraw/zinc/49/24/15/289492415.db2.gz LRRORITZJCUDPZ-CVEARBPZSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000415104870 289728727 /nfs/dbraw/zinc/72/87/27/289728727.db2.gz LODGUWKZUKRRDZ-HMDCTGQHSA-N 2 0 292.467 2.844 20 0 CFADRP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151849955 289832438 /nfs/dbraw/zinc/83/24/38/289832438.db2.gz QWVQSPNHMHOVOO-IRXDYDNUSA-N 2 0 296.499 2.885 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000312416979 289876772 /nfs/dbraw/zinc/87/67/72/289876772.db2.gz OKCFOOYHHOSVIX-MRXNPFEDSA-N 2 0 280.456 2.657 20 0 CFADRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1N(C)C ZINC000423557638 289955881 /nfs/dbraw/zinc/95/58/81/289955881.db2.gz NKSNEHOCLGZXIN-ZDUSSCGKSA-N 2 0 261.413 2.545 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158762162 289981503 /nfs/dbraw/zinc/98/15/03/289981503.db2.gz WLELYIKCACHBTO-MRXNPFEDSA-N 2 0 268.445 2.823 20 0 CFADRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370108733 290053351 /nfs/dbraw/zinc/05/33/51/290053351.db2.gz BFKJQAWKXMMJKQ-RDJZCZTQSA-N 2 0 293.499 2.713 20 0 CFADRP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000562746348 290073324 /nfs/dbraw/zinc/07/33/24/290073324.db2.gz YOTIKLMRYWKCSQ-VYDXJSESSA-N 2 0 273.424 2.915 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000562956081 290085415 /nfs/dbraw/zinc/08/54/15/290085415.db2.gz CSCPLYICVGXVSB-IRXDYDNUSA-N 2 0 260.425 2.987 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCC(C)C ZINC000563349871 290135703 /nfs/dbraw/zinc/13/57/03/290135703.db2.gz JBUQKWMDUJJAIQ-HZPDHXFCSA-N 2 0 270.461 2.590 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1c1ccccc1 ZINC000563358466 290137551 /nfs/dbraw/zinc/13/75/51/290137551.db2.gz XXRZEUJXTOFUAA-ROUUACIJSA-N 2 0 290.451 2.916 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)c21 ZINC000563977018 290188112 /nfs/dbraw/zinc/18/81/12/290188112.db2.gz XYFHCVBFTLZDJJ-CABCVRRESA-N 2 0 271.408 2.878 20 0 CFADRP COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)c(Cl)c1 ZINC000564089412 290192186 /nfs/dbraw/zinc/19/21/86/290192186.db2.gz NKSXOPFBZXQGES-UHFFFAOYSA-N 2 0 282.815 2.909 20 0 CFADRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCSC2)[C@@H]1c1ccccc1 ZINC000376164218 290196187 /nfs/dbraw/zinc/19/61/87/290196187.db2.gz UUTUQUUCVLPUDE-OAGGEKHMSA-N 2 0 276.449 2.775 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@H]2CCCC[C@H]12 ZINC000564212289 290197737 /nfs/dbraw/zinc/19/77/37/290197737.db2.gz QTPDJNVDIIPZEX-UPJWGTAASA-N 2 0 292.427 2.664 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000564224964 290198573 /nfs/dbraw/zinc/19/85/73/290198573.db2.gz ASWMIIKOWGGGRC-IRXDYDNUSA-N 2 0 276.424 2.973 20 0 CFADRP CCCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000564224962 290198808 /nfs/dbraw/zinc/19/88/08/290198808.db2.gz ASWMIIKOWGGGRC-DLBZAZTESA-N 2 0 276.424 2.973 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000564326942 290203445 /nfs/dbraw/zinc/20/34/45/290203445.db2.gz WUZOZVYPHUIQFE-ZWKOTPCHSA-N 2 0 287.451 2.739 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000564631770 290219430 /nfs/dbraw/zinc/21/94/30/290219430.db2.gz HRLARQMGIVDGIJ-LVQVYYBASA-N 2 0 268.445 2.797 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000564669763 290223617 /nfs/dbraw/zinc/22/36/17/290223617.db2.gz WAYHIXSLDVWAHI-OAGGEKHMSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000564722396 290226860 /nfs/dbraw/zinc/22/68/60/290226860.db2.gz LNJRABGZQPMSNV-CHWSQXEVSA-N 2 0 296.377 2.544 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000564797915 290233192 /nfs/dbraw/zinc/23/31/92/290233192.db2.gz DTNGWRCOIXIVFA-UWVGGRQHSA-N 2 0 250.317 2.787 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000564827933 290237827 /nfs/dbraw/zinc/23/78/27/290237827.db2.gz AGLRWTSRVYMZDR-VHDGCEQUSA-N 2 0 276.428 2.748 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564973350 290254113 /nfs/dbraw/zinc/25/41/13/290254113.db2.gz BIPKSUJBBXBFET-WMLDXEAASA-N 3 0 275.440 2.546 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986625 290255276 /nfs/dbraw/zinc/25/52/76/290255276.db2.gz BFVWDNZVXLJLOA-INIZCTEOSA-N 2 0 276.449 2.984 20 0 CFADRP CC(C)[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000565093632 290266851 /nfs/dbraw/zinc/26/68/51/290266851.db2.gz NSUCJUBSKUMWDP-QGZVFWFLSA-N 2 0 290.476 2.906 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000565226981 290285765 /nfs/dbraw/zinc/28/57/65/290285765.db2.gz PTADQOHBUNICFF-KFWWJZLASA-N 2 0 262.397 2.622 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000565226982 290285820 /nfs/dbraw/zinc/28/58/20/290285820.db2.gz PTADQOHBUNICFF-QLFBSQMISA-N 2 0 262.397 2.622 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)ccc2[nH]1 ZINC000565371324 290298012 /nfs/dbraw/zinc/29/80/12/290298012.db2.gz FMOUIQHAQWUMAY-LSDHHAIUSA-N 2 0 257.381 2.836 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000565468387 290303213 /nfs/dbraw/zinc/30/32/13/290303213.db2.gz MIDQLJFZWJCHQO-DKIMLUQUSA-N 2 0 288.435 2.742 20 0 CFADRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000565488421 290304398 /nfs/dbraw/zinc/30/43/98/290304398.db2.gz IALRUGWDSTZWRW-HNNXBMFYSA-N 2 0 297.402 2.951 20 0 CFADRP Cc1ncc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000565492143 290305616 /nfs/dbraw/zinc/30/56/16/290305616.db2.gz UBALHBAAKBYBLD-GASCZTMLSA-N 2 0 292.471 2.576 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000565749808 290321883 /nfs/dbraw/zinc/32/18/83/290321883.db2.gz HDTNNGQEHWHNCS-RCCFBDPRSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CC[NH2+]CC1 ZINC000565827593 290328084 /nfs/dbraw/zinc/32/80/84/290328084.db2.gz IDCFLTLHJBYGAE-ZDUSSCGKSA-N 2 0 272.392 2.953 20 0 CFADRP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423438852 290339495 /nfs/dbraw/zinc/33/94/95/290339495.db2.gz NOOPNWSAQOLIRL-MHEUCROKSA-N 2 0 250.430 2.789 20 0 CFADRP Clc1ccc(CCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566010216 290340619 /nfs/dbraw/zinc/34/06/19/290340619.db2.gz DZRUNGMKCGQIMJ-LSDHHAIUSA-N 2 0 278.827 2.814 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2ccccc2n1 ZINC000566089118 290346967 /nfs/dbraw/zinc/34/69/67/290346967.db2.gz QDIHNQVGXCDHJR-NVXWUHKLSA-N 2 0 283.419 2.884 20 0 CFADRP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000566091018 290347283 /nfs/dbraw/zinc/34/72/83/290347283.db2.gz UREFVZVLKMKCNO-ZWKOTPCHSA-N 2 0 298.434 2.837 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000566113549 290349317 /nfs/dbraw/zinc/34/93/17/290349317.db2.gz PRDFNJGQPXYICV-INIZCTEOSA-N 2 0 296.430 2.774 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000566230205 290361049 /nfs/dbraw/zinc/36/10/49/290361049.db2.gz RBJFOAPCQIURCZ-MNOVXSKESA-N 2 0 272.339 2.546 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000423124327 292805132 /nfs/dbraw/zinc/80/51/32/292805132.db2.gz OHXAAQDVGOMMNW-MWLCHTKSSA-N 2 0 288.844 2.732 20 0 CFADRP COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000566413988 290380129 /nfs/dbraw/zinc/38/01/29/290380129.db2.gz KPELJNJOROQDGA-IAGOWNOFSA-N 2 0 299.418 2.987 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000566843727 290421508 /nfs/dbraw/zinc/42/15/08/290421508.db2.gz SQUZWVBPIBQGDU-HUUCEWRRSA-N 2 0 262.397 2.692 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414841689 533693123 /nfs/dbraw/zinc/69/31/23/533693123.db2.gz YMZLIDQDADAVRH-QWHCGFSZSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1cccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000567123488 290441137 /nfs/dbraw/zinc/44/11/37/290441137.db2.gz JFSFTBMKVVKUGU-RBSFLKMASA-N 2 0 261.413 2.947 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2scnc2C2CC2)C1 ZINC000567242314 290449959 /nfs/dbraw/zinc/44/99/59/290449959.db2.gz CWCCPMLXABZOHZ-CMPLNLGQSA-N 2 0 265.426 2.628 20 0 CFADRP CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc2c(c1)OCCO2 ZINC000567639471 290480033 /nfs/dbraw/zinc/48/00/33/290480033.db2.gz RJSRYLZSIJNRER-HNNXBMFYSA-N 2 0 292.423 2.887 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000422821151 293098346 /nfs/dbraw/zinc/09/83/46/293098346.db2.gz UOYHHBSJOVRMOL-IHRRRGAJSA-N 2 0 256.434 2.545 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000423153047 293098355 /nfs/dbraw/zinc/09/83/55/293098355.db2.gz FXXMJIBOQGHWDS-AVGNSLFASA-N 2 0 296.377 2.841 20 0 CFADRP COC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CCCC1 ZINC000446934355 293168730 /nfs/dbraw/zinc/16/87/30/293168730.db2.gz ADFVSJSBIKZAQZ-JYJNAYRXSA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C12CCC2 ZINC000459775957 294005221 /nfs/dbraw/zinc/00/52/21/294005221.db2.gz JSGKYJFRXQMRAN-QKPAOTATSA-N 2 0 280.456 2.512 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1 ZINC000414900861 294674119 /nfs/dbraw/zinc/67/41/19/294674119.db2.gz FDSFFOFDXXNYAD-IJLUTSLNSA-N 2 0 264.335 2.839 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423276082 294725951 /nfs/dbraw/zinc/72/59/51/294725951.db2.gz NWXNFHKGGHWNMD-KKUMJFAQSA-N 2 0 256.409 2.884 20 0 CFADRP Fc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423239217 294753648 /nfs/dbraw/zinc/75/36/48/294753648.db2.gz AZMWWFVYKOJPSW-WFASDCNBSA-N 2 0 278.371 2.629 20 0 CFADRP [NH3+]C1CCC([NH2+]CC2(C(F)(F)F)CCC2)CC1 ZINC000423110193 295211905 /nfs/dbraw/zinc/21/19/05/295211905.db2.gz OTVGJCUXALINRP-UHFFFAOYSA-N 2 0 250.308 2.579 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC[C@H](C)[NH3+])C(C)C)cc1 ZINC000423226483 295215703 /nfs/dbraw/zinc/21/57/03/295215703.db2.gz QWFDXLDDZADGAY-WFASDCNBSA-N 2 0 250.386 2.719 20 0 CFADRP COc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)cc1 ZINC000178955783 295223888 /nfs/dbraw/zinc/22/38/88/295223888.db2.gz LBIXCUOTIDJEOR-KRWDZBQOSA-N 2 0 274.408 2.832 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000422839571 295248316 /nfs/dbraw/zinc/24/83/16/295248316.db2.gz QPUAUWZJISRCTJ-YOEHRIQHSA-N 2 0 279.472 2.501 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000423172673 295248487 /nfs/dbraw/zinc/24/84/87/295248487.db2.gz UQTSORZNEJIITQ-MVKMKZAISA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(C(F)(F)F)CCC1 ZINC000423110548 295267416 /nfs/dbraw/zinc/26/74/16/295267416.db2.gz PCTZQEXTKAZCTO-MNOVXSKESA-N 2 0 264.335 2.826 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424366071 295301037 /nfs/dbraw/zinc/30/10/37/295301037.db2.gz IJAXHZFHLTVQQT-DDHJBXDOSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+][C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000335028381 295342915 /nfs/dbraw/zinc/34/29/15/295342915.db2.gz IZDQZQABUKMYSZ-GNNGFNCTSA-N 2 0 285.435 2.738 20 0 CFADRP COc1ccccc1C[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021626 295360643 /nfs/dbraw/zinc/36/06/43/295360643.db2.gz ZPISHOICZMXTDJ-UHFFFAOYSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000414939067 297107818 /nfs/dbraw/zinc/10/78/18/297107818.db2.gz JCVTYLYQWOONNQ-BSWAZPDLSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000423112708 297247921 /nfs/dbraw/zinc/24/79/21/297247921.db2.gz KAQWASGUKWKDAC-IBEHDNSVSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]1C ZINC000423534268 297283709 /nfs/dbraw/zinc/28/37/09/297283709.db2.gz ZUAHVIZCCMHGNO-XXWFCPLBSA-N 2 0 262.441 2.774 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[NH3+])c2cccc(Br)c21 ZINC000423177193 297284196 /nfs/dbraw/zinc/28/41/96/297284196.db2.gz IIEPMDVZRFOURU-BXKDBHETSA-N 2 0 283.213 2.936 20 0 CFADRP CS[C@@H]1CCCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000162583617 525824738 /nfs/dbraw/zinc/82/47/38/525824738.db2.gz BOZUTXIHXQZZCU-CQSZACIVSA-N 2 0 256.459 2.690 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000349974366 298363736 /nfs/dbraw/zinc/36/37/36/298363736.db2.gz WTDDNEYSZPRTAW-NJAFHUGGSA-N 2 0 294.483 2.855 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423537654 298379270 /nfs/dbraw/zinc/37/92/70/298379270.db2.gz DLMZFCQROUVLDX-WISYIIOYSA-N 2 0 264.335 2.695 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cnn1C(C)C ZINC000423405557 301004014 /nfs/dbraw/zinc/00/40/14/301004014.db2.gz YCLXURKFZFEIMG-FPMFFAJLSA-N 2 0 264.417 2.693 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@H](C)C[C@H](C)[NH3+])c[nH]c2c1 ZINC000422843468 301874684 /nfs/dbraw/zinc/87/46/84/301874684.db2.gz IJZZQLLTHHTDFF-QWHCGFSZSA-N 2 0 259.397 2.734 20 0 CFADRP Cc1ccccc1C1(C[NH2+]C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000415117692 302093953 /nfs/dbraw/zinc/09/39/53/302093953.db2.gz WBJBIZNIFQUSMT-INIZCTEOSA-N 2 0 258.409 2.616 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000331863865 302658344 /nfs/dbraw/zinc/65/83/44/302658344.db2.gz ZCJLCRQUQDOJCH-DMDPSCGWSA-N 2 0 265.426 2.688 20 0 CFADRP FC(F)C1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423539011 303122079 /nfs/dbraw/zinc/12/20/79/303122079.db2.gz HNYZYWUPNNUQCI-BMYFTYEUSA-N 2 0 272.383 2.788 20 0 CFADRP Fc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000335779502 303135365 /nfs/dbraw/zinc/13/53/65/303135365.db2.gz FKBAMUTVDMMEPP-CZUORRHYSA-N 2 0 262.372 2.962 20 0 CFADRP [NH3+]C1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000085129804 303362028 /nfs/dbraw/zinc/36/20/28/303362028.db2.gz IMKUNOKLPBUVIN-HBIQZDMRSA-N 2 0 264.335 2.967 20 0 CFADRP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1CCSC1 ZINC000352534915 303377248 /nfs/dbraw/zinc/37/72/48/303377248.db2.gz KORDTNCSDFOLQE-AWEZNQCLSA-N 2 0 256.459 2.581 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000250853546 303400769 /nfs/dbraw/zinc/40/07/69/303400769.db2.gz NVQDLMDAHMOYFJ-ULQDDVLXSA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000250192005 303407115 /nfs/dbraw/zinc/40/71/15/303407115.db2.gz WJXHEJKDCCUDRJ-DRZSPHRISA-N 2 0 250.411 2.843 20 0 CFADRP c1ccc(CN2CC(C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000716255805 782069722 /nfs/dbraw/zinc/06/97/22/782069722.db2.gz VHNJVPKALQQGFK-MRXNPFEDSA-N 2 0 276.449 2.604 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(F)cn1 ZINC000161887080 322358247 /nfs/dbraw/zinc/35/82/47/322358247.db2.gz GSZZYRZXJJJPOW-HNNXBMFYSA-N 2 0 279.403 2.993 20 0 CFADRP CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000162534498 322365764 /nfs/dbraw/zinc/36/57/64/322365764.db2.gz YDEBIUNQTZXXCX-SFHVURJKSA-N 2 0 295.515 2.963 20 0 CFADRP Cc1ccc(C[N@H+](C)CCC[NH3+])cc1Br ZINC000164144650 322381244 /nfs/dbraw/zinc/38/12/44/322381244.db2.gz AJLLEUSLDBEVTM-UHFFFAOYSA-N 2 0 271.202 2.538 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000570143961 322516008 /nfs/dbraw/zinc/51/60/08/322516008.db2.gz OJWZAZYBAVNZNR-STQMWFEESA-N 2 0 290.436 2.541 20 0 CFADRP CC1=CC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)CC1 ZINC000572140647 322608868 /nfs/dbraw/zinc/60/88/68/322608868.db2.gz WCLUYAGESMCTKQ-MRXNPFEDSA-N 2 0 289.423 2.610 20 0 CFADRP Cc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000572286302 322613559 /nfs/dbraw/zinc/61/35/59/322613559.db2.gz BTMMTNIJKIMNOR-UHFFFAOYSA-N 2 0 297.874 2.574 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000573355344 322653639 /nfs/dbraw/zinc/65/36/39/322653639.db2.gz SMRXRHDPSLCJFF-ZDUSSCGKSA-N 2 0 250.386 2.580 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000573555694 322660358 /nfs/dbraw/zinc/66/03/58/322660358.db2.gz SPIRKXKCUYUVEL-ZWKOTPCHSA-N 2 0 298.434 2.539 20 0 CFADRP Cc1cccc(C[C@@H]([NH2+]CCC[NH+](C)C)C2CC2)c1 ZINC000178115530 323710007 /nfs/dbraw/zinc/71/00/07/323710007.db2.gz UCKPZWMJNFAODZ-QGZVFWFLSA-N 2 0 260.425 2.857 20 0 CFADRP CCN(CC)Cc1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000350064241 324197064 /nfs/dbraw/zinc/19/70/64/324197064.db2.gz IAIKVGNPMUKREA-UHFFFAOYSA-N 2 0 297.362 2.764 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)[C@H]1CC2CCC1CC2 ZINC000382249690 324427171 /nfs/dbraw/zinc/42/71/71/324427171.db2.gz XATGFHCGCRVUMM-ADNDVJRGSA-N 2 0 250.430 2.790 20 0 CFADRP CSCC1CCC([NH2+]CCC[NH2+]C2CC2)CC1 ZINC000382528104 324430019 /nfs/dbraw/zinc/43/00/19/324430019.db2.gz DCKQRTRIEZCCEM-UHFFFAOYSA-N 2 0 256.459 2.640 20 0 CFADRP CCOCCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000388310076 324504594 /nfs/dbraw/zinc/50/45/94/324504594.db2.gz TXMLCQBKXLVIQB-CABCVRRESA-N 2 0 256.434 2.704 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000576638610 324640348 /nfs/dbraw/zinc/64/03/48/324640348.db2.gz LGIOLFZWCSUMOC-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000577768518 324779490 /nfs/dbraw/zinc/77/94/90/324779490.db2.gz GGOVARSWAMKFIF-HZMVEIRTSA-N 2 0 274.408 2.766 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000578185253 324823908 /nfs/dbraw/zinc/82/39/08/324823908.db2.gz QMDOVSMHEUBNJW-CYBMUJFWSA-N 2 0 277.412 2.684 20 0 CFADRP c1nc(C2CC2)sc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000579473215 324953327 /nfs/dbraw/zinc/95/33/27/324953327.db2.gz LQNPFRUQQLQREV-AWEZNQCLSA-N 2 0 291.464 2.842 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000579625391 324966989 /nfs/dbraw/zinc/96/69/89/324966989.db2.gz ZPRNUVZMSQKTIV-AWEZNQCLSA-N 2 0 261.413 2.773 20 0 CFADRP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000580074332 325003955 /nfs/dbraw/zinc/00/39/55/325003955.db2.gz OWOKMZYIJRGLKI-MNOVXSKESA-N 2 0 285.229 2.973 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])nc21 ZINC000580088665 325005948 /nfs/dbraw/zinc/00/59/48/325005948.db2.gz AOUVXIHCRFMVNP-KBPBESRZSA-N 2 0 287.407 2.928 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000580182229 325013098 /nfs/dbraw/zinc/01/30/98/325013098.db2.gz YDAIUNIAVQKRIG-RRQGHBQHSA-N 2 0 258.409 2.768 20 0 CFADRP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000580311958 325024942 /nfs/dbraw/zinc/02/49/42/325024942.db2.gz YSMXXACJSMAZOD-PMPSAXMXSA-N 2 0 250.430 2.888 20 0 CFADRP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000580329058 325026620 /nfs/dbraw/zinc/02/66/20/325026620.db2.gz JOKJYJWIFSVNSS-GOEBONIOSA-N 2 0 261.413 2.868 20 0 CFADRP Cc1ccc(SCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000580445984 325037056 /nfs/dbraw/zinc/03/70/56/325037056.db2.gz QOPWDLPYMPQUEY-HZPDHXFCSA-N 2 0 290.476 2.937 20 0 CFADRP COCC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(F)cc1 ZINC000580638949 325052468 /nfs/dbraw/zinc/05/24/68/325052468.db2.gz ANPMAAPQAMUUEU-INIZCTEOSA-N 2 0 282.403 2.881 20 0 CFADRP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000580724635 325059820 /nfs/dbraw/zinc/05/98/20/325059820.db2.gz FKNVCVWOFLWPTM-IACUBPJLSA-N 2 0 250.386 2.769 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000580939962 325076469 /nfs/dbraw/zinc/07/64/69/325076469.db2.gz QGKCNIVGUPOYEN-CABCVRRESA-N 2 0 268.445 2.833 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000581125899 325092381 /nfs/dbraw/zinc/09/23/81/325092381.db2.gz OMQCYMYOMFBIMR-STQMWFEESA-N 2 0 293.480 2.814 20 0 CFADRP CCc1cccc(F)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000581194947 325099461 /nfs/dbraw/zinc/09/94/61/325099461.db2.gz KBLWJIJYAQCOJR-UHFFFAOYSA-N 2 0 264.388 2.949 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000581238765 325103008 /nfs/dbraw/zinc/10/30/08/325103008.db2.gz RFPLDGIMFMQTJB-OAHLLOKOSA-N 2 0 286.419 2.782 20 0 CFADRP CC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000581364879 325114334 /nfs/dbraw/zinc/11/43/34/325114334.db2.gz PBFHXCGIIGWDGV-YJBOKZPZSA-N 2 0 290.451 2.779 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000581380329 325116456 /nfs/dbraw/zinc/11/64/56/325116456.db2.gz QFOMPZGVLMEQFK-QWHCGFSZSA-N 2 0 265.426 2.553 20 0 CFADRP CCCC[C@H](C)[C@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000581966886 325164588 /nfs/dbraw/zinc/16/45/88/325164588.db2.gz VERQKFKUYVPZEK-IRXDYDNUSA-N 2 0 283.504 2.818 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1=CC[N@H+](C)CC1 ZINC000581982318 325165210 /nfs/dbraw/zinc/16/52/10/325165210.db2.gz UWMYUMWKSUZUDA-QGZVFWFLSA-N 2 0 286.419 2.924 20 0 CFADRP CCc1noc(C2CCC([NH2+]CCC[NH2+]C(C)C)CC2)n1 ZINC000582116253 325177627 /nfs/dbraw/zinc/17/76/27/325177627.db2.gz KHDSAWCAJZBSKJ-UHFFFAOYSA-N 2 0 294.443 2.636 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000582525489 325211926 /nfs/dbraw/zinc/21/19/26/325211926.db2.gz ACLBNOGUKYWUCP-HNNXBMFYSA-N 2 0 297.446 2.957 20 0 CFADRP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000582735693 325230419 /nfs/dbraw/zinc/23/04/19/325230419.db2.gz KTNBOQUURMBILY-KGYLQXTDSA-N 2 0 284.350 2.592 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CO1 ZINC000582844683 325238876 /nfs/dbraw/zinc/23/88/76/325238876.db2.gz FMWCZESKAFLFOU-DOTOQJQBSA-N 2 0 290.451 2.912 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)C1 ZINC000583392129 325284482 /nfs/dbraw/zinc/28/44/82/325284482.db2.gz VKTJWOGNYKIUQX-TUUVXOQKSA-N 2 0 262.372 2.931 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000583515678 325293651 /nfs/dbraw/zinc/29/36/51/325293651.db2.gz NTAYLYZJSUGKRO-KZNAEPCWSA-N 2 0 288.435 2.966 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000583681255 325303523 /nfs/dbraw/zinc/30/35/23/325303523.db2.gz PRLRMFGJWAYMGA-GDBMZVCRSA-N 2 0 298.434 2.613 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000583681257 325303546 /nfs/dbraw/zinc/30/35/46/325303546.db2.gz PRLRMFGJWAYMGA-HOCLYGCPSA-N 2 0 298.434 2.613 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000583681258 325303606 /nfs/dbraw/zinc/30/36/06/325303606.db2.gz PRLRMFGJWAYMGA-ZBFHGGJFSA-N 2 0 298.434 2.613 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000583746862 325307268 /nfs/dbraw/zinc/30/72/68/325307268.db2.gz HRIUZMKJBQIBRL-CYBMUJFWSA-N 2 0 250.386 2.734 20 0 CFADRP CCc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000583906254 325318017 /nfs/dbraw/zinc/31/80/17/325318017.db2.gz WCGORIDVFWHETQ-UHFFFAOYSA-N 2 0 290.451 2.792 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])o1 ZINC000583928870 325319670 /nfs/dbraw/zinc/31/96/70/325319670.db2.gz WAULCFALKJPBII-RHSMWYFYSA-N 2 0 272.392 2.679 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000584107177 325331026 /nfs/dbraw/zinc/33/10/26/325331026.db2.gz MGWZPRIIVQINHM-CQSZACIVSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc2c(c1)OCO2 ZINC000584113680 325331675 /nfs/dbraw/zinc/33/16/75/325331675.db2.gz BXODBCWJRWVJBQ-GFCCVEGCSA-N 2 0 284.359 2.725 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CO1 ZINC000584231817 325339776 /nfs/dbraw/zinc/33/97/76/325339776.db2.gz RWQNKEXOGPZIRI-JHNDHUHGSA-N 2 0 280.456 2.797 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000584262625 325341865 /nfs/dbraw/zinc/34/18/65/325341865.db2.gz KYATVCYXXGBZHA-AWEZNQCLSA-N 2 0 281.403 2.861 20 0 CFADRP Brc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)s1 ZINC000084386085 518212324 /nfs/dbraw/zinc/21/23/24/518212324.db2.gz AILRKIVAYBTXJI-SECBINFHSA-N 2 0 289.242 2.600 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000221792142 519617860 /nfs/dbraw/zinc/61/78/60/519617860.db2.gz HWCZHLLDAFKCEN-QGZVFWFLSA-N 2 0 260.425 2.864 20 0 CFADRP CC(C)[NH+](CCN(C)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000356337364 519646399 /nfs/dbraw/zinc/64/63/99/519646399.db2.gz BYKWGUBEAIDAIM-MRXNPFEDSA-N 2 0 269.477 2.521 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000124294928 520503436 /nfs/dbraw/zinc/50/34/36/520503436.db2.gz AAILHDNPTDIVAF-ARFHVFGLSA-N 2 0 270.461 2.759 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261619053 521669319 /nfs/dbraw/zinc/66/93/19/521669319.db2.gz UIWOCCWACZGTOV-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)[C@H](C)C1 ZINC000358041780 521708414 /nfs/dbraw/zinc/70/84/14/521708414.db2.gz VAKNISLNIYIAKX-IKGGRYGDSA-N 2 0 280.456 2.822 20 0 CFADRP COc1cc(CC[NH2+][C@@H](C)CCC[NH3+])ccc1Cl ZINC000423134903 533766988 /nfs/dbraw/zinc/76/69/88/533766988.db2.gz MWRBDQAPQNYZAU-NSHDSACASA-N 2 0 270.804 2.608 20 0 CFADRP COc1cc(CC[NH2+][C@H](C)CCCC[NH3+])ccc1Cl ZINC000423139844 533769431 /nfs/dbraw/zinc/76/94/31/533769431.db2.gz WQFOWFNXMFDAKN-GFCCVEGCSA-N 2 0 284.831 2.998 20 0 CFADRP COc1cc(CC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1C ZINC000422776902 533770103 /nfs/dbraw/zinc/77/01/03/533770103.db2.gz FEWDXKSAANYYQX-CZUORRHYSA-N 2 0 276.424 2.524 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000423301709 533772384 /nfs/dbraw/zinc/77/23/84/533772384.db2.gz UQPFURBUWKAVIJ-UWVGGRQHSA-N 2 0 276.302 2.831 20 0 CFADRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc2n[nH]cc2c1 ZINC000423112246 533803787 /nfs/dbraw/zinc/80/37/87/533803787.db2.gz RWDYMCKEFRPDAD-BZUNDVKYSA-N 2 0 272.396 2.731 20 0 CFADRP CSCc1cc(F)ccc1C[NH2+][C@@H](C)CCC[NH3+] ZINC000422866886 533837116 /nfs/dbraw/zinc/83/71/16/533837116.db2.gz RIXZSJXYUQGMHJ-NSHDSACASA-N 2 0 270.417 2.906 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)C(C)(C)CN2CCCCCC2)CC[NH2+]1 ZINC000414747423 533837299 /nfs/dbraw/zinc/83/72/99/533837299.db2.gz SANBZLOYFYGMKH-IAGOWNOFSA-N 2 0 295.515 2.961 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1c(F)cccc1F ZINC000422689652 533845697 /nfs/dbraw/zinc/84/56/97/533845697.db2.gz FQKSFLJMOXPROM-LLVKDONJSA-N 2 0 256.340 2.614 20 0 CFADRP C[C@H]([NH2+]CCC[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000423197015 533846703 /nfs/dbraw/zinc/84/67/03/533846703.db2.gz XHYGDJJBYFKWLL-QMMMGPOBSA-N 2 0 278.730 2.941 20 0 CFADRP C[C@H]([NH2+]CCCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422827668 533844421 /nfs/dbraw/zinc/84/44/21/533844421.db2.gz DZJATKMHUHSPJT-BBRMVZONSA-N 2 0 280.387 2.715 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000422819665 533844775 /nfs/dbraw/zinc/84/47/75/533844775.db2.gz ISSNNLZHGOSIQS-OAHLLOKOSA-N 2 0 286.423 2.522 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423425894 533851390 /nfs/dbraw/zinc/85/13/90/533851390.db2.gz HINZGHCUJZYCMT-FXUDXRNXSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423262726 533866281 /nfs/dbraw/zinc/86/62/81/533866281.db2.gz VWWISZUFYLUFFL-QWHCGFSZSA-N 2 0 250.361 2.866 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000422740169 533868338 /nfs/dbraw/zinc/86/83/38/533868338.db2.gz AXJKXLUYVBINAC-CVEARBPZSA-N 2 0 289.467 2.929 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000422805954 533871462 /nfs/dbraw/zinc/87/14/62/533871462.db2.gz MULFSVLJSYVHPN-WBVHZDCISA-N 2 0 275.440 2.541 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423107410 533871806 /nfs/dbraw/zinc/87/18/06/533871806.db2.gz PVMAEHOHTDOONW-OAHLLOKOSA-N 2 0 299.418 2.878 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422732076 533869531 /nfs/dbraw/zinc/86/95/31/533869531.db2.gz NHGBPLZNEHUZAH-SECBINFHSA-N 2 0 289.192 2.805 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH3+] ZINC000423300161 533885019 /nfs/dbraw/zinc/88/50/19/533885019.db2.gz QZHSAQPWGIBLFH-NXEZZACHSA-N 2 0 256.777 2.594 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1C ZINC000414808676 533895995 /nfs/dbraw/zinc/89/59/95/533895995.db2.gz SMSCTKKYZAGDBM-LSDHHAIUSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423132149 533901853 /nfs/dbraw/zinc/90/18/53/533901853.db2.gz OSCAXARMMBNXTN-IAOVAPTHSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@H](CC[NH3+])[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000414880929 533899807 /nfs/dbraw/zinc/89/98/07/533899807.db2.gz KMCNKJHHNIFIJR-WDEREUQCSA-N 2 0 285.229 2.880 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000422909916 533910580 /nfs/dbraw/zinc/91/05/80/533910580.db2.gz PKMNIWXOKNNMPK-YSVLISHTSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000414857843 533914482 /nfs/dbraw/zinc/91/44/82/533914482.db2.gz QHXUVSBUKVWSPE-AAEUAGOBSA-N 2 0 297.240 2.927 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC[NH3+])cnn1-c1cc(C)ccc1C ZINC000423192161 533944238 /nfs/dbraw/zinc/94/42/38/533944238.db2.gz PQVPILUJMOQBQR-CQSZACIVSA-N 2 0 286.423 2.797 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1C(C)(C)C ZINC000423470854 533945987 /nfs/dbraw/zinc/94/59/87/533945987.db2.gz ZIQUKJIOGUIBBA-NWDGAFQWSA-N 2 0 266.433 2.725 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422690889 533968075 /nfs/dbraw/zinc/96/80/75/533968075.db2.gz HGYYVEBCCOPVTN-MXWKQRLJSA-N 2 0 254.349 2.611 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422690887 533968338 /nfs/dbraw/zinc/96/83/38/533968338.db2.gz HGYYVEBCCOPVTN-AXFHLTTASA-N 2 0 254.349 2.611 20 0 CFADRP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(OC(F)(F)F)cc1 ZINC000422809738 533972968 /nfs/dbraw/zinc/97/29/68/533972968.db2.gz QKEXHGDDNAKOPD-UWVGGRQHSA-N 2 0 288.313 2.844 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415045144 533981831 /nfs/dbraw/zinc/98/18/31/533981831.db2.gz TZJLQELTWZPEJT-XNRPHZJLSA-N 2 0 264.388 2.864 20 0 CFADRP CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000425338776 533983898 /nfs/dbraw/zinc/98/38/98/533983898.db2.gz QFJHDTHAQOLAQV-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP C[C@H](CCc1ccccc1)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835859 533990230 /nfs/dbraw/zinc/99/02/30/533990230.db2.gz RZOACCZNRRZWRR-NVXWUHKLSA-N 2 0 260.425 2.845 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC1=CC[NH2+]CC1 ZINC000423348951 534000892 /nfs/dbraw/zinc/00/08/92/534000892.db2.gz VITFDKVNLOUBMO-GFCCVEGCSA-N 2 0 250.411 2.579 20 0 CFADRP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425347100 534003894 /nfs/dbraw/zinc/00/38/94/534003894.db2.gz XGTUDZHAJXMIAJ-BRWVUGGUSA-N 2 0 290.476 2.992 20 0 CFADRP C[C@@H](C[NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414900135 534059356 /nfs/dbraw/zinc/05/93/56/534059356.db2.gz DGQQVSWEKTWWOH-BBRMVZONSA-N 2 0 264.388 2.909 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000414828397 534060172 /nfs/dbraw/zinc/06/01/72/534060172.db2.gz ITPBRRVICCSWDD-LBPRGKRZSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000422937598 534068178 /nfs/dbraw/zinc/06/81/78/534068178.db2.gz OIVDIAQBINHHCE-RISCZKNCSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1cccc(Cl)c1 ZINC000422934321 534070808 /nfs/dbraw/zinc/07/08/08/534070808.db2.gz CLDKYTZVNYYBSV-IUODEOHRSA-N 2 0 282.815 2.697 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000422742726 534073940 /nfs/dbraw/zinc/07/39/40/534073940.db2.gz GZIYAJFQYDWHKC-JFIYKMOQSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCC1CC1 ZINC000422774312 534075369 /nfs/dbraw/zinc/07/53/69/534075369.db2.gz WOJBLULFYYLKII-RHSMWYFYSA-N 2 0 288.435 2.953 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422744097 534132749 /nfs/dbraw/zinc/13/27/49/534132749.db2.gz SHALONGNFKCARB-BURFUSLBSA-N 2 0 287.451 2.552 20 0 CFADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000414907519 534135682 /nfs/dbraw/zinc/13/56/82/534135682.db2.gz ANDVTFQIMJUZBF-SPUZQDLCSA-N 2 0 287.451 2.681 20 0 CFADRP CSc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422873954 534147926 /nfs/dbraw/zinc/14/79/26/534147926.db2.gz MRECJAWGYKZHFF-NWANDNLSSA-N 2 0 294.464 2.559 20 0 CFADRP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCC[NH3+] ZINC000414898798 534149091 /nfs/dbraw/zinc/14/90/91/534149091.db2.gz FBLRUEKTYDRUGR-GFCCVEGCSA-N 2 0 297.830 2.694 20 0 CFADRP C[C@H]([NH3+])CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423225966 534175217 /nfs/dbraw/zinc/17/52/17/534175217.db2.gz OXPUVELXEOKLPU-OPFPJEHXSA-N 2 0 254.418 2.584 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1COc2ccccc21 ZINC000423118951 534179684 /nfs/dbraw/zinc/17/96/84/534179684.db2.gz ASLSTOGEMMPESK-QILLFSRXSA-N 2 0 296.414 2.711 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C1 ZINC000414885060 534186757 /nfs/dbraw/zinc/18/67/57/534186757.db2.gz GAHYXHSHJHGQFJ-IKGGRYGDSA-N 2 0 258.409 2.824 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000415015251 534203610 /nfs/dbraw/zinc/20/36/10/534203610.db2.gz NUXIKZFXVVBGEU-AWEZNQCLSA-N 2 0 286.423 2.992 20 0 CFADRP Cc1ccc(-c2ncc(C[NH2+]C(C)(C)CC[NH3+])s2)o1 ZINC000422560670 534216535 /nfs/dbraw/zinc/21/65/35/534216535.db2.gz HLMHNMJGQOBFAO-UHFFFAOYSA-N 2 0 279.409 2.929 20 0 CFADRP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414847408 534232176 /nfs/dbraw/zinc/23/21/76/534232176.db2.gz VUKJEPXNPWBXLG-ZFWWWQNUSA-N 2 0 264.388 2.736 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000186568684 517848315 /nfs/dbraw/zinc/84/83/15/517848315.db2.gz NXHPJYSLHQOVHI-CABCVRRESA-N 2 0 293.455 2.519 20 0 CFADRP Brc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000168735969 518219839 /nfs/dbraw/zinc/21/98/39/518219839.db2.gz AGMCQHSLBSHHLA-CYBMUJFWSA-N 2 0 283.213 2.681 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOCC1CCCC1 ZINC000423170364 534348999 /nfs/dbraw/zinc/34/89/99/534348999.db2.gz XWASANPBVRVOSK-CYBMUJFWSA-N 2 0 291.439 2.706 20 0 CFADRP C(CC[NH+]1CCCC1)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245546692 518384101 /nfs/dbraw/zinc/38/41/01/518384101.db2.gz DNZKGKIBBFYMQC-GVDBMIGSSA-N 2 0 292.467 2.800 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000423193704 534350163 /nfs/dbraw/zinc/35/01/63/534350163.db2.gz VYYZYZNPCJLXOR-CYBMUJFWSA-N 2 0 298.434 2.872 20 0 CFADRP CC(C)C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[NH+](C)C ZINC000227535765 519353564 /nfs/dbraw/zinc/35/35/64/519353564.db2.gz KAHYWBBZKBVBGH-XYPHTWIQSA-N 2 0 275.440 2.697 20 0 CFADRP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305145613 519362136 /nfs/dbraw/zinc/36/21/36/519362136.db2.gz RTEDRZXGZURHFV-MRXNPFEDSA-N 2 0 282.472 2.780 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423105625 534423119 /nfs/dbraw/zinc/42/31/19/534423119.db2.gz ZAGGAQGIEVRZBP-XDQVBPFNSA-N 2 0 272.383 2.932 20 0 CFADRP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000414823525 534441279 /nfs/dbraw/zinc/44/12/79/534441279.db2.gz DTNHYPYGJVXOQY-LLVKDONJSA-N 2 0 288.313 2.516 20 0 CFADRP CC(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000338434319 519641024 /nfs/dbraw/zinc/64/10/24/519641024.db2.gz AEGFNFAWHOOFFT-IAGOWNOFSA-N 2 0 282.472 2.780 20 0 CFADRP Fc1cc(Cl)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414838242 534443112 /nfs/dbraw/zinc/44/31/12/534443112.db2.gz VFNXPRSGUCUUNS-JTQLQIEISA-N 2 0 256.752 2.568 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)c3ccccc32)CC1 ZINC000364951337 519673873 /nfs/dbraw/zinc/67/38/73/519673873.db2.gz GAFSYJOZOBALSD-KSSFIOAISA-N 2 0 288.435 2.670 20 0 CFADRP CC(C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000306538029 519694624 /nfs/dbraw/zinc/69/46/24/519694624.db2.gz MAAFHPJVCQWBGD-DLBZAZTESA-N 2 0 258.409 2.849 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000361930255 519720771 /nfs/dbraw/zinc/72/07/71/519720771.db2.gz PNQXWXVSJVXDAX-AWEZNQCLSA-N 2 0 264.413 2.921 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000085400654 519760791 /nfs/dbraw/zinc/76/07/91/519760791.db2.gz RZKHYXBOXAXVFW-USXIJHARSA-N 2 0 294.483 2.900 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)C1(C)C ZINC000085399709 519761729 /nfs/dbraw/zinc/76/17/29/519761729.db2.gz XFYKOVLMJVDAQO-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)OC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000337335915 519770496 /nfs/dbraw/zinc/77/04/96/519770496.db2.gz LUNCFPYGVITCMP-HZPDHXFCSA-N 2 0 270.461 2.902 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000302558723 519847085 /nfs/dbraw/zinc/84/70/85/519847085.db2.gz LTOABTFHUKBGIZ-ZDUSSCGKSA-N 2 0 256.459 2.594 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085671638 519847302 /nfs/dbraw/zinc/84/73/02/519847302.db2.gz OTLMVAIHUQNDRN-XHSDSOJGSA-N 2 0 280.456 2.654 20 0 CFADRP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000414823386 534461299 /nfs/dbraw/zinc/46/12/99/534461299.db2.gz DDGYGDDKIARFRU-FXMSTWTQSA-N 2 0 266.335 2.567 20 0 CFADRP c1[nH]c2ncccc2c1C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420311935 534463526 /nfs/dbraw/zinc/46/35/26/534463526.db2.gz HIAHOTNXZXKJIP-AWEZNQCLSA-N 2 0 298.434 2.742 20 0 CFADRP CCOC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192934955 520075939 /nfs/dbraw/zinc/07/59/39/520075939.db2.gz RJRBEAXPQQYSBK-NVXWUHKLSA-N 2 0 276.424 2.523 20 0 CFADRP CCCCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000077283721 520080912 /nfs/dbraw/zinc/08/09/12/520080912.db2.gz IJDPOZRAEIZTDQ-QGZVFWFLSA-N 2 0 281.488 2.669 20 0 CFADRP CCOC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000233727980 520088539 /nfs/dbraw/zinc/08/85/39/520088539.db2.gz YQACZEOKAZQARN-HUUCEWRRSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000085380552 520423875 /nfs/dbraw/zinc/42/38/75/520423875.db2.gz VCBYCCIIACCMKX-LSDHHAIUSA-N 2 0 268.445 2.652 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccccc2)nc1 ZINC000423349608 534493026 /nfs/dbraw/zinc/49/30/26/534493026.db2.gz XDOKYMKKIJGXRO-GOSISDBHSA-N 2 0 297.377 2.819 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000052921804 520451303 /nfs/dbraw/zinc/45/13/03/520451303.db2.gz KQVQTWDORLLVCU-HNNXBMFYSA-N 2 0 262.397 2.646 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccccn2)cc1 ZINC000423254907 534495407 /nfs/dbraw/zinc/49/54/07/534495407.db2.gz ZWMCOWAGLOAOQM-KSSFIOAISA-N 2 0 299.393 2.899 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)C12CCCC2 ZINC000085678490 520548709 /nfs/dbraw/zinc/54/87/09/520548709.db2.gz MJTHOEOAUDJGFR-CVEARBPZSA-N 2 0 280.456 2.800 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000157680329 520577843 /nfs/dbraw/zinc/57/78/43/520577843.db2.gz ORIQXAALBIHBIY-OAHLLOKOSA-N 2 0 278.444 2.516 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000336838839 520587351 /nfs/dbraw/zinc/58/73/51/520587351.db2.gz RPXCHHWOMOSSLT-UHFFFAOYSA-N 2 0 292.471 2.554 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000166699091 520628773 /nfs/dbraw/zinc/62/87/73/520628773.db2.gz KJJVBSWDUCRTOK-HZPDHXFCSA-N 2 0 296.455 2.526 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425619 520629382 /nfs/dbraw/zinc/62/93/82/520629382.db2.gz FOSDAEBIMWEOLD-QGZVFWFLSA-N 2 0 296.455 2.528 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(OC)nc1 ZINC000158024750 520631497 /nfs/dbraw/zinc/63/14/97/520631497.db2.gz WWIPQBDKHBSPCA-CQSZACIVSA-N 2 0 279.428 2.690 20 0 CFADRP CC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)COC1 ZINC000309812489 520732728 /nfs/dbraw/zinc/73/27/28/520732728.db2.gz NCMCXENDVHKDQT-KRWDZBQOSA-N 2 0 288.435 2.525 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC1CC[NH+](CC)CC1 ZINC000360247354 520738205 /nfs/dbraw/zinc/73/82/05/520738205.db2.gz ZWZGKWSEWUVVGK-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP CCCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000249884434 520782575 /nfs/dbraw/zinc/78/25/75/520782575.db2.gz PFRNWAXLDNTBOP-BZUAXINKSA-N 2 0 268.445 2.704 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000414185966 534542473 /nfs/dbraw/zinc/54/24/73/534542473.db2.gz OUZGRJUCDMATQS-YPMHNXCESA-N 2 0 267.442 2.834 20 0 CFADRP CCOc1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246481776 521331107 /nfs/dbraw/zinc/33/11/07/521331107.db2.gz RGTNETGRDVAVNL-HOCLYGCPSA-N 2 0 276.424 2.700 20 0 CFADRP CCOc1ccccc1OCC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000088399425 521564766 /nfs/dbraw/zinc/56/47/66/521564766.db2.gz ARAYHJXRAZCAKQ-AWEZNQCLSA-N 2 0 292.423 2.523 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000230508943 521622734 /nfs/dbraw/zinc/62/27/34/521622734.db2.gz ICPIGODKIRIPRT-VNQPRFMTSA-N 2 0 270.461 2.684 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000155557599 521691403 /nfs/dbraw/zinc/69/14/03/521691403.db2.gz QHJAASVHLLKGKN-DZGCQCFKSA-N 2 0 295.496 2.733 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338692323 521693538 /nfs/dbraw/zinc/69/35/38/521693538.db2.gz ZNCXBWGHPFMHHB-OAHLLOKOSA-N 2 0 293.499 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)[C@H](C)C1 ZINC000358041798 521708136 /nfs/dbraw/zinc/70/81/36/521708136.db2.gz VAKNISLNIYIAKX-ZACQAIPSSA-N 2 0 280.456 2.822 20 0 CFADRP CCSCC[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000169225505 521708639 /nfs/dbraw/zinc/70/86/39/521708639.db2.gz QTMFOSLQCKESOY-UHFFFAOYSA-N 2 0 258.475 2.984 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(OC)CCCC2)[C@@H](C)C1 ZINC000361550298 521713692 /nfs/dbraw/zinc/71/36/92/521713692.db2.gz RMHVGQVOCGWEPI-LSDHHAIUSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccsc2)[C@@H](C)C1 ZINC000247079840 521715163 /nfs/dbraw/zinc/71/51/63/521715163.db2.gz OTINXKLLUQMMRC-GXTWGEPZSA-N 2 0 252.427 2.611 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2)[C@@H](C)C1 ZINC000246496551 521715375 /nfs/dbraw/zinc/71/53/75/521715375.db2.gz SGVGOUTZZWNXJP-WMLDXEAASA-N 2 0 276.424 2.824 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000310656422 521717507 /nfs/dbraw/zinc/71/75/07/521717507.db2.gz BYPVMNBQQTUDPK-CYBMUJFWSA-N 2 0 250.430 2.887 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2c(C)noc2C)[C@@H](C)C1 ZINC000246275779 521721104 /nfs/dbraw/zinc/72/11/04/521721104.db2.gz BBDLXBPPRXYTLE-HUBLWGQQSA-N 2 0 279.428 2.715 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000246455369 521721211 /nfs/dbraw/zinc/72/12/11/521721211.db2.gz PMORCQLCXPPWQO-JQFCIGGWSA-N 2 0 294.414 2.833 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCCNc2ccccc2)CC1 ZINC000422762204 534593302 /nfs/dbraw/zinc/59/33/02/534593302.db2.gz SBRLCFPHHNPYCQ-UHFFFAOYSA-N 2 0 261.413 2.596 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000422755326 534593602 /nfs/dbraw/zinc/59/36/02/534593602.db2.gz GRVHCTHHXJKGEV-UHFFFAOYSA-N 2 0 289.398 2.957 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2c(F)cccc2F)CC1 ZINC000422697769 534593985 /nfs/dbraw/zinc/59/39/85/534593985.db2.gz WDGWLRNAVDQUHB-UHFFFAOYSA-N 2 0 268.351 2.614 20 0 CFADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000300415674 521884137 /nfs/dbraw/zinc/88/41/37/521884137.db2.gz YKEJXMYVRUKDDG-OKZBNKHCSA-N 2 0 290.451 2.615 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC000086595781 521976477 /nfs/dbraw/zinc/97/64/77/521976477.db2.gz RSIVUPNMVODLCM-UHFFFAOYSA-N 2 0 282.815 2.780 20 0 CFADRP [NH3+]CCCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414914900 534605611 /nfs/dbraw/zinc/60/56/11/534605611.db2.gz YEUXNQNMISJSQA-UHFFFAOYSA-N 2 0 295.858 2.633 20 0 CFADRP [NH3+]CCCC[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000414911864 534606209 /nfs/dbraw/zinc/60/62/09/534606209.db2.gz TZOOYKYKAVCTDH-UHFFFAOYSA-N 2 0 278.787 2.559 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000245543206 522049318 /nfs/dbraw/zinc/04/93/18/522049318.db2.gz AADZXIYQECUDOV-DMRKSPOLSA-N 2 0 292.467 2.797 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000423183274 534615738 /nfs/dbraw/zinc/61/57/38/534615738.db2.gz HPNCXMPBZXDXJM-GXTWGEPZSA-N 2 0 252.789 2.915 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000234730010 522288593 /nfs/dbraw/zinc/28/85/93/522288593.db2.gz MSNGVGLKBMYPJL-CYBMUJFWSA-N 2 0 290.329 2.549 20 0 CFADRP Clc1cc2cccnc2c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414827374 534633576 /nfs/dbraw/zinc/63/35/76/534633576.db2.gz KNCCYWQWEZUCAX-GFCCVEGCSA-N 2 0 289.810 2.977 20 0 CFADRP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422782483 534634590 /nfs/dbraw/zinc/63/45/90/534634590.db2.gz NDAZGRWBNJSORO-USXIJHARSA-N 2 0 290.451 2.615 20 0 CFADRP CC[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000340675247 522529078 /nfs/dbraw/zinc/52/90/78/522529078.db2.gz APGLDHWQUSPRNM-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP CCc1ncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357052609 522548649 /nfs/dbraw/zinc/54/86/49/522548649.db2.gz NZFPLXVBPAYOTE-ZDUSSCGKSA-N 2 0 279.453 2.527 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000360469333 522628285 /nfs/dbraw/zinc/62/82/85/522628285.db2.gz OOETWVKCVCVQLM-SFHVURJKSA-N 2 0 287.451 2.678 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)C)cc1 ZINC000234793896 522667881 /nfs/dbraw/zinc/66/78/81/522667881.db2.gz REDVCSHEWHLMHO-INIZCTEOSA-N 2 0 264.413 2.654 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000234697047 522668336 /nfs/dbraw/zinc/66/83/36/522668336.db2.gz GWWRUVMQDQBHSY-RISCZKNCSA-N 2 0 270.804 2.745 20 0 CFADRP COC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)C(C)C ZINC000158195698 522736428 /nfs/dbraw/zinc/73/64/28/522736428.db2.gz RLNNXIZEPUOYIS-INIZCTEOSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422944779 534664204 /nfs/dbraw/zinc/66/42/04/534664204.db2.gz STOTXFCLOVOWFM-DOTOQJQBSA-N 2 0 260.425 2.824 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422939976 534664393 /nfs/dbraw/zinc/66/43/93/534664393.db2.gz MOPALXDREUPXKI-DOTOQJQBSA-N 2 0 260.425 2.953 20 0 CFADRP COCC1(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)CCC1 ZINC000361326693 522866622 /nfs/dbraw/zinc/86/66/22/522866622.db2.gz ZUMRAEBWRPSSON-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[C@@H](O)CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000305198598 522987645 /nfs/dbraw/zinc/98/76/45/522987645.db2.gz ZVIPOAYKTXZUQQ-MRXNPFEDSA-N 2 0 268.445 2.534 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)C1 ZINC000339411651 523041361 /nfs/dbraw/zinc/04/13/61/523041361.db2.gz ZWXDBOYZEGRBMJ-HRCADAONSA-N 2 0 298.471 2.676 20 0 CFADRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422939681 534681574 /nfs/dbraw/zinc/68/15/74/534681574.db2.gz ICTFBGDAZFUFQL-CABCVRRESA-N 2 0 262.397 2.542 20 0 CFADRP COCCCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000234627549 523136107 /nfs/dbraw/zinc/13/61/07/523136107.db2.gz ZMCGLRNQYCCMPM-CABCVRRESA-N 2 0 256.434 2.704 20 0 CFADRP COCCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300684116 523136128 /nfs/dbraw/zinc/13/61/28/523136128.db2.gz RGAVKIVNJYGUPB-BZUAXINKSA-N 2 0 268.445 2.704 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000181740467 523222715 /nfs/dbraw/zinc/22/27/15/523222715.db2.gz UPMPZKGYYLQYJB-BRWVUGGUSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1cccc(C[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)c1 ZINC000414678281 534709986 /nfs/dbraw/zinc/70/99/86/534709986.db2.gz KFNAFBCDYLINEI-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795395 534710896 /nfs/dbraw/zinc/71/08/96/534710896.db2.gz VKPVLSGKHZAKFC-MSOLQXFVSA-N 2 0 287.451 2.642 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)CC1 ZINC000336215827 523784355 /nfs/dbraw/zinc/78/43/55/523784355.db2.gz NQTVDCZIHAPSDT-MRXNPFEDSA-N 2 0 299.418 2.992 20 0 CFADRP C[N@@H+]1CCCC12CC[NH+](CCCc1ccncc1)CC2 ZINC000360492543 523789803 /nfs/dbraw/zinc/78/98/03/523789803.db2.gz URWADBGDTQXSRM-UHFFFAOYSA-N 2 0 273.424 2.574 20 0 CFADRP CCc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc[nH+]1 ZINC000336190742 523795406 /nfs/dbraw/zinc/79/54/06/523795406.db2.gz ZHYRTNKHYNIYKZ-XJKSGUPXSA-N 2 0 259.397 2.565 20 0 CFADRP CCc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000336186543 523797599 /nfs/dbraw/zinc/79/75/99/523797599.db2.gz YIAQEIYZRXAVII-CJNGLKHVSA-N 2 0 259.397 2.565 20 0 CFADRP Cn1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(C2CCCCC2)n1 ZINC000414828368 534734981 /nfs/dbraw/zinc/73/49/81/534734981.db2.gz ISCNOJWUFAKXSF-AWEZNQCLSA-N 2 0 290.455 2.557 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360933182 523875291 /nfs/dbraw/zinc/87/52/91/523875291.db2.gz KNVFOVMJCMIZTJ-JFIYKMOQSA-N 2 0 290.451 2.912 20 0 CFADRP CCc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000336362886 523925274 /nfs/dbraw/zinc/92/52/74/523925274.db2.gz NEWBTSYWELCZMW-UHFFFAOYSA-N 2 0 262.397 2.902 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCSCc3ccccc3)C2)C1 ZINC000366564393 523976579 /nfs/dbraw/zinc/97/65/79/523976579.db2.gz ZZZBKCOKHBVWFH-QGZVFWFLSA-N 2 0 290.476 2.947 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157244441 523978376 /nfs/dbraw/zinc/97/83/76/523978376.db2.gz VMCJFLFEYBQNPY-MSOLQXFVSA-N 2 0 282.387 2.972 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCc4ccc(F)cc43)C[C@@H]2C1 ZINC000193632051 524015737 /nfs/dbraw/zinc/01/57/37/524015737.db2.gz RMUZAZMFEYOFFN-VBQJREDUSA-N 2 0 274.383 2.697 20 0 CFADRP CCc1ccc([C@@H](CC)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000360242104 524028464 /nfs/dbraw/zinc/02/84/64/524028464.db2.gz NDQCWLFTFXSFSW-ZWKOTPCHSA-N 2 0 290.451 2.746 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000364849710 524047249 /nfs/dbraw/zinc/04/72/49/524047249.db2.gz BXISNGWOSVLRHH-HRCADAONSA-N 2 0 282.472 2.759 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000360963952 524047327 /nfs/dbraw/zinc/04/73/27/524047327.db2.gz JKFOULJAZYOGAP-ARFHVFGLSA-N 2 0 282.472 2.759 20 0 CFADRP COc1ccc(C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000049553660 524154259 /nfs/dbraw/zinc/15/42/59/524154259.db2.gz IIBASNLCFCWXRC-KGLIPLIRSA-N 2 0 294.439 2.565 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C1CCC([NH3+])CC1 ZINC000334867203 524227693 /nfs/dbraw/zinc/22/76/93/524227693.db2.gz WVOUEAWXOGREPY-KOHJWAIASA-N 2 0 260.381 2.542 20 0 CFADRP COc1cccc2cc(C[NH2+]C3CCC([NH3+])CC3)oc21 ZINC000051694131 524260063 /nfs/dbraw/zinc/26/00/63/524260063.db2.gz LHZZNVOGIZGHGG-UHFFFAOYSA-N 2 0 274.364 2.801 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335042709 524312095 /nfs/dbraw/zinc/31/20/95/524312095.db2.gz UUVQAHKINVNEOC-FZMZJTMJSA-N 2 0 252.789 2.818 20 0 CFADRP COc1ccc(F)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000361117558 524312512 /nfs/dbraw/zinc/31/25/12/524312512.db2.gz LNOWMHBHAYUASV-UHFFFAOYSA-N 2 0 292.398 2.798 20 0 CFADRP C[C@H]1CC[C@@H](C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)O1 ZINC000365097651 524351723 /nfs/dbraw/zinc/35/17/23/524351723.db2.gz PGRSNVXVOUPRLA-WMZOPIPTSA-N 2 0 294.483 2.998 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000169017212 524363822 /nfs/dbraw/zinc/36/38/22/524363822.db2.gz GHINJGCFXLYTQT-IAGOWNOFSA-N 2 0 258.409 2.754 20 0 CFADRP Cc1cccc2[nH]cc(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)c21 ZINC000422710844 534777618 /nfs/dbraw/zinc/77/76/18/534777618.db2.gz GERPULBEJVOHIG-HIFRSBDPSA-N 2 0 271.408 2.749 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1 ZINC000186728109 524437651 /nfs/dbraw/zinc/43/76/51/524437651.db2.gz BNMQFTAAUIBBQZ-UHFFFAOYSA-N 2 0 275.440 2.862 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000334861382 524440656 /nfs/dbraw/zinc/44/06/56/524440656.db2.gz CVHKPQGXOUKISK-CVEARBPZSA-N 2 0 294.464 2.775 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192758659 524449995 /nfs/dbraw/zinc/44/99/95/524449995.db2.gz WZGPMUMVEFKGNF-ALOPSCKCSA-N 2 0 288.435 2.897 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000361719210 524497666 /nfs/dbraw/zinc/49/76/66/524497666.db2.gz BWPBAQCQTKHPPJ-UMVBOHGHSA-N 2 0 280.387 2.523 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1 ZINC000246519605 524499956 /nfs/dbraw/zinc/49/99/56/524499956.db2.gz UOLURTTWPIKDDG-KLZNWCGWSA-N 2 0 276.424 2.772 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1 ZINC000246519615 524501094 /nfs/dbraw/zinc/50/10/94/524501094.db2.gz UOLURTTWPIKDDG-LJIGWXMPSA-N 2 0 276.424 2.772 20 0 CFADRP COc1ccccc1C[C@H](C)[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000088204424 524508187 /nfs/dbraw/zinc/50/81/87/524508187.db2.gz QARFPWCRCKKUEB-WMLDXEAASA-N 2 0 276.424 2.558 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335042684 524528873 /nfs/dbraw/zinc/52/88/73/524528873.db2.gz UMKBUBDDIFZBKZ-CRAIPNDOSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000360235626 524562774 /nfs/dbraw/zinc/56/27/74/524562774.db2.gz WLPROQYBPGOYNN-FUHWJXTLSA-N 2 0 289.467 2.833 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000228855752 524609808 /nfs/dbraw/zinc/60/98/08/524609808.db2.gz ABOBNAIDXXTLJI-DOMZBBRYSA-N 2 0 250.361 2.564 20 0 CFADRP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422840559 534800432 /nfs/dbraw/zinc/80/04/32/534800432.db2.gz BSTLERIXUXGTGG-RYUDHWBXSA-N 2 0 290.386 2.535 20 0 CFADRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000334856612 524693727 /nfs/dbraw/zinc/69/37/27/524693727.db2.gz ISGVJFZSPOVJDV-SMDDNHRTSA-N 2 0 260.406 2.989 20 0 CFADRP Cc1csc(CCCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000422912118 534802582 /nfs/dbraw/zinc/80/25/82/534802582.db2.gz VLAPMPKTVPYIJR-TZMCWYRMSA-N 2 0 281.469 2.752 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000340690832 524727511 /nfs/dbraw/zinc/72/75/11/524727511.db2.gz MTZXODVTAPSVMY-WBVHZDCISA-N 2 0 258.409 2.551 20 0 CFADRP C[C@H](Cc1ccsc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000049155915 524762257 /nfs/dbraw/zinc/76/22/57/524762257.db2.gz BZNNVPQEOVUJMP-JZIBPQBNSA-N 2 0 264.438 2.894 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)CCO1 ZINC000070358795 524804272 /nfs/dbraw/zinc/80/42/72/524804272.db2.gz HHBJBPHLYBLYTB-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000219869580 524805691 /nfs/dbraw/zinc/80/56/91/524805691.db2.gz VLIIXQUABNBCIP-GFCCVEGCSA-N 2 0 250.361 2.693 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000070984141 524845663 /nfs/dbraw/zinc/84/56/63/524845663.db2.gz XDYDQHPANOUOCI-UONOGXRCSA-N 2 0 280.387 2.654 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000334852859 524887791 /nfs/dbraw/zinc/88/77/91/524887791.db2.gz BGDMESPDUIQUBE-BXUZGUMPSA-N 2 0 252.789 2.736 20 0 CFADRP Cc1cc(Cl)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000235790658 524888209 /nfs/dbraw/zinc/88/82/09/524888209.db2.gz AXGAKNVPUXITOC-UHFFFAOYSA-N 2 0 252.789 2.880 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000305772786 524914381 /nfs/dbraw/zinc/91/43/81/524914381.db2.gz UVNYRRHLJZDOAY-UHDSXZAQSA-N 2 0 282.472 2.636 20 0 CFADRP Cc1cc(F)ccc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224547311 524973074 /nfs/dbraw/zinc/97/30/74/524973074.db2.gz HLVADEKGOVJXHE-XJKSGUPXSA-N 2 0 264.388 2.749 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050576514 524978732 /nfs/dbraw/zinc/97/87/32/524978732.db2.gz GPDUIJPWEAIWBS-ZDUSSCGKSA-N 2 0 262.372 2.708 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000339413766 525022100 /nfs/dbraw/zinc/02/21/00/525022100.db2.gz ZRMTVCPUPARIJI-CVEARBPZSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339414951 525022141 /nfs/dbraw/zinc/02/21/41/525022141.db2.gz JXVZLGFQUBURKJ-PBHICJAKSA-N 2 0 288.435 2.613 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000157916603 525334953 /nfs/dbraw/zinc/33/49/53/525334953.db2.gz PTCGRTCFPSPGEO-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000192933313 525393482 /nfs/dbraw/zinc/39/34/82/525393482.db2.gz JXXQNYQGYOVIQI-RYQLBKOJSA-N 2 0 288.435 2.523 20 0 CFADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000216051239 525408236 /nfs/dbraw/zinc/40/82/36/525408236.db2.gz HIIAYQQZRXEGSW-ZYHUDNBSSA-N 2 0 254.324 2.793 20 0 CFADRP Cc1ccc(OCCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000228206129 525410381 /nfs/dbraw/zinc/41/03/81/525410381.db2.gz VRCDDEJQQDYVJN-HOTGVXAUSA-N 2 0 276.424 2.741 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000164612446 525435434 /nfs/dbraw/zinc/43/54/34/525435434.db2.gz DBVWEOSYZDZWQT-IAGOWNOFSA-N 3 0 281.488 2.715 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cnc2ccsc2c1 ZINC000231786926 525452829 /nfs/dbraw/zinc/45/28/29/525452829.db2.gz WMTSERBICPZUPW-GFCCVEGCSA-N 2 0 293.436 2.525 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn[nH]c1 ZINC000309706226 525484042 /nfs/dbraw/zinc/48/40/42/525484042.db2.gz HVJKAMFIDNBJDL-ZBFHGGJFSA-N 2 0 284.407 2.582 20 0 CFADRP CSCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171502824 525505468 /nfs/dbraw/zinc/50/54/68/525505468.db2.gz IBKDNCXVAAVNIJ-OAHLLOKOSA-N 2 0 270.486 2.937 20 0 CFADRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000360883645 526114252 /nfs/dbraw/zinc/11/42/52/526114252.db2.gz ONWJTZSRQIVPGL-TZMCWYRMSA-N 2 0 287.382 2.999 20 0 CFADRP CSc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000334994640 526160002 /nfs/dbraw/zinc/16/00/02/526160002.db2.gz FUWPJEHQQBYTBP-HNNXBMFYSA-N 2 0 262.422 2.594 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423133334 526273822 /nfs/dbraw/zinc/27/38/22/526273822.db2.gz CWBJVNGSPUMKGS-DLBZAZTESA-N 2 0 258.409 2.979 20 0 CFADRP C=Cc1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423139438 526274188 /nfs/dbraw/zinc/27/41/88/526274188.db2.gz KQULKOYRHOJSPP-PBHICJAKSA-N 2 0 258.409 2.850 20 0 CFADRP O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163273561 526294491 /nfs/dbraw/zinc/29/44/91/526294491.db2.gz HWLAUJBPJCHAAF-HZPDHXFCSA-N 2 0 292.423 2.653 20 0 CFADRP Fc1cc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC000335040263 526310815 /nfs/dbraw/zinc/31/08/15/526310815.db2.gz DGGNAEVYCOZBGO-LSDHHAIUSA-N 2 0 298.789 2.651 20 0 CFADRP c1cc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000261947736 526418804 /nfs/dbraw/zinc/41/88/04/526418804.db2.gz NNGKOFHLJZNTMJ-ZDUSSCGKSA-N 2 0 264.438 2.927 20 0 CFADRP c1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000336400764 526422348 /nfs/dbraw/zinc/42/23/48/526422348.db2.gz DTFKPSDYKAPOBH-CQSZACIVSA-N 2 0 250.411 2.570 20 0 CFADRP C1CCC(OC2CCC([NH2+]C3CC[NH2+]CC3)CC2)C1 ZINC000423178772 526422848 /nfs/dbraw/zinc/42/28/48/526422848.db2.gz GOTZIFQGMCCTRM-UHFFFAOYSA-N 2 0 266.429 2.598 20 0 CFADRP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000334869646 526423613 /nfs/dbraw/zinc/42/36/13/526423613.db2.gz RESAULFVKSKHEH-ZIAGYGMSSA-N 2 0 250.411 2.712 20 0 CFADRP Cc1csc([C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000193282481 526430063 /nfs/dbraw/zinc/43/00/63/526430063.db2.gz PLONGEPUVWQXML-NDNKKMJESA-N 2 0 279.453 2.770 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000192931904 526469844 /nfs/dbraw/zinc/46/98/44/526469844.db2.gz BZJCYZCEGPBNSD-GOSISDBHSA-N 2 0 288.435 2.525 20 0 CFADRP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000309724490 526471188 /nfs/dbraw/zinc/47/11/88/526471188.db2.gz NCISAERAZWUCMN-IRXDYDNUSA-N 2 0 290.476 2.851 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193043447 526575710 /nfs/dbraw/zinc/57/57/10/526575710.db2.gz LXJZVFWORLYHHF-SLYWTYHBSA-N 2 0 277.412 2.610 20 0 CFADRP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415030865 526663456 /nfs/dbraw/zinc/66/34/56/526663456.db2.gz CXBJLCTYENVLBM-OWCLPIDISA-N 2 0 282.472 2.950 20 0 CFADRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2F)C1 ZINC000269124780 536473220 /nfs/dbraw/zinc/47/32/20/536473220.db2.gz CARSKXOEDFLJPF-GOEBONIOSA-N 2 0 262.372 2.742 20 0 CFADRP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000334856163 526789293 /nfs/dbraw/zinc/78/92/93/526789293.db2.gz GTJSYLHXYLTPJV-XHDPSFHLSA-N 2 0 258.365 2.829 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000261574305 526827779 /nfs/dbraw/zinc/82/77/79/526827779.db2.gz WYQRXIHGHKSTRU-RRFJBIMHSA-N 2 0 279.453 2.504 20 0 CFADRP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000310558512 526946187 /nfs/dbraw/zinc/94/61/87/526946187.db2.gz JCEYQXLULSIQER-PHIMTYICSA-N 2 0 270.829 2.833 20 0 CFADRP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311190767 526946980 /nfs/dbraw/zinc/94/69/80/526946980.db2.gz CPLZJUIAFCJMLT-OKILXGFUSA-N 2 0 264.800 2.771 20 0 CFADRP [NH3+]CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000062712472 527182053 /nfs/dbraw/zinc/18/20/53/527182053.db2.gz HABMCKKKTIJSLW-GFCCVEGCSA-N 2 0 299.212 2.601 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159302491 527233206 /nfs/dbraw/zinc/23/32/06/527233206.db2.gz XLGJBCOHFHWGHY-GDBMZVCRSA-N 2 0 269.392 2.842 20 0 CFADRP Cc1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)s1 ZINC000088164136 527268530 /nfs/dbraw/zinc/26/85/30/527268530.db2.gz JEMCRKYSMYPJDP-YHWZYXNKSA-N 2 0 265.426 2.556 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCCOc3ccccc3)C[C@@H]21 ZINC000339413671 527353713 /nfs/dbraw/zinc/35/37/13/527353713.db2.gz ZFCOHNXIBNBKFH-BPQIPLTHSA-N 2 0 288.435 2.905 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCCOc3ccccc3)C[C@@H]12 ZINC000339406923 527372320 /nfs/dbraw/zinc/37/23/20/527372320.db2.gz HXAULFXVJFOLRU-CGTJXYLNSA-N 2 0 288.435 2.905 20 0 CFADRP [NH3+][C@@H]1C[C@@H](NCC2([NH3+])CCCCCC2)c2ccccc21 ZINC000335056127 527376489 /nfs/dbraw/zinc/37/64/89/527376489.db2.gz BHEJITHQZIGWHB-HZPDHXFCSA-N 2 0 273.424 2.773 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335044279 527395323 /nfs/dbraw/zinc/39/53/23/527395323.db2.gz XXXUHRHBPSYROK-ROUUACIJSA-N 2 0 287.451 2.905 20 0 CFADRP C(C[NH2+]C1CCCCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000423268908 527484207 /nfs/dbraw/zinc/48/42/07/527484207.db2.gz FFFHERMHMFVYED-DLBZAZTESA-N 2 0 279.472 2.515 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000423144146 527485655 /nfs/dbraw/zinc/48/56/55/527485655.db2.gz GDMAWEHSJILEFV-ZACQAIPSSA-N 2 0 280.456 2.704 20 0 CFADRP C(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC1CCCC1 ZINC000422804403 527485776 /nfs/dbraw/zinc/48/57/76/527485776.db2.gz KJOXDBHDOFECSB-IXDOHACOSA-N 2 0 280.456 2.704 20 0 CFADRP C([NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1(C2CCC2)CCC1 ZINC000423168859 527493076 /nfs/dbraw/zinc/49/30/76/527493076.db2.gz VBGDMNRBWCKPRL-IKGGRYGDSA-N 2 0 292.467 2.704 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc21 ZINC000334869655 527501446 /nfs/dbraw/zinc/50/14/46/527501446.db2.gz RGWXTWQWUIIYGT-WBVHZDCISA-N 2 0 298.434 2.537 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc21 ZINC000334869654 527501576 /nfs/dbraw/zinc/50/15/76/527501576.db2.gz RGWXTWQWUIIYGT-RDJZCZTQSA-N 2 0 298.434 2.537 20 0 CFADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000158431468 527647255 /nfs/dbraw/zinc/64/72/55/527647255.db2.gz LUZBBACUYYJJHD-SFHVURJKSA-N 2 0 294.483 2.735 20 0 CFADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(C)(C)[NH3+])CC1 ZINC000423283247 527647347 /nfs/dbraw/zinc/64/73/47/527647347.db2.gz FBKLMKHXLVHYOK-UHFFFAOYSA-N 2 0 283.504 2.993 20 0 CFADRP CC(C)CCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415129961 527703621 /nfs/dbraw/zinc/70/36/21/527703621.db2.gz VUYIWPSDODJFSN-HZPDHXFCSA-N 2 0 268.445 2.641 20 0 CFADRP CC1(C)C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CO1 ZINC000417970575 527744196 /nfs/dbraw/zinc/74/41/96/527744196.db2.gz RCSTXWIQRAINFJ-KRWDZBQOSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)CCOc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1 ZINC000414878744 527775945 /nfs/dbraw/zinc/77/59/45/527775945.db2.gz HHCUSIFLQPXONF-AWEZNQCLSA-N 2 0 264.413 2.938 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422738079 527845778 /nfs/dbraw/zinc/84/57/78/527845778.db2.gz JCYDKXAPPLZZTP-JWTNVVGKSA-N 3 0 287.451 2.511 20 0 CFADRP CC1(C)[C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C[C@H]1OCc1ccccc1 ZINC000423311018 527870399 /nfs/dbraw/zinc/87/03/99/527870399.db2.gz BDEUGFQWSCIATK-BRWVUGGUSA-N 2 0 288.435 2.697 20 0 CFADRP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)C[C@H]1Oc1ccccc1 ZINC000423523640 527875745 /nfs/dbraw/zinc/87/57/45/527875745.db2.gz YWMFGCXYLDNRKM-MUIFIZLQSA-N 2 0 288.435 2.950 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C12CCCCC2 ZINC000422922469 527950497 /nfs/dbraw/zinc/95/04/97/527950497.db2.gz SVWHQZXYYJXWMH-OWCLPIDISA-N 2 0 280.456 2.846 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC[NH2+]CC1 ZINC000423319172 527986149 /nfs/dbraw/zinc/98/61/49/527986149.db2.gz DAOIIJJPNGDAKF-HRCADAONSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000414109349 527986620 /nfs/dbraw/zinc/98/66/20/527986620.db2.gz UXLAYDFWGDNYQS-JJXSEGSLSA-N 2 0 252.446 2.989 20 0 CFADRP CC1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC[NH2+]CC1 ZINC000423333682 527988535 /nfs/dbraw/zinc/98/85/35/527988535.db2.gz QFNGTBMPKGAFRJ-HNNXBMFYSA-N 2 0 277.387 2.651 20 0 CFADRP CCO[C@H](CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])C(C)C ZINC000422806602 528051085 /nfs/dbraw/zinc/05/10/85/528051085.db2.gz ILXJRVUTFSOTIK-CGTJXYLNSA-N 2 0 292.467 2.986 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CC(C)(C)COC)CC1 ZINC000426048336 528095451 /nfs/dbraw/zinc/09/54/51/528095451.db2.gz ITPBKQIWETUPPL-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP CC(C)c1ccc(OCC[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422940809 528123185 /nfs/dbraw/zinc/12/31/85/528123185.db2.gz JCZKDMPXQIFGBO-RDJZCZTQSA-N 2 0 276.424 2.906 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423254307 528144967 /nfs/dbraw/zinc/14/49/67/528144967.db2.gz ZVORWHSEOIIFKZ-KZNAEPCWSA-N 2 0 289.467 2.917 20 0 CFADRP CC(C)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414803366 528153576 /nfs/dbraw/zinc/15/35/76/528153576.db2.gz WPVOVGBEPKFYPY-DOTOQJQBSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414827558 528154626 /nfs/dbraw/zinc/15/46/26/528154626.db2.gz HGRJANHKJQRNHO-INIZCTEOSA-N 2 0 276.424 2.811 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422835033 528161552 /nfs/dbraw/zinc/16/15/52/528161552.db2.gz XYDWZCAMYFYCQG-STQMWFEESA-N 2 0 250.386 2.689 20 0 CFADRP CCC[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824960 528162695 /nfs/dbraw/zinc/16/26/95/528162695.db2.gz BNELLGYGWPVDIJ-IAGOWNOFSA-N 2 0 260.425 2.987 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414792158 528164049 /nfs/dbraw/zinc/16/40/49/528164049.db2.gz IVYLLOGFTOOKSY-GDBMZVCRSA-N 2 0 262.397 2.691 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422833438 528173059 /nfs/dbraw/zinc/17/30/59/528173059.db2.gz GWCWQIXWZCHJSD-HVVXOQGOSA-N 2 0 293.499 2.760 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414806514 528173824 /nfs/dbraw/zinc/17/38/24/528173824.db2.gz QOGKKVYSFWAHMU-NVXWUHKLSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)COc1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000414806934 528174219 /nfs/dbraw/zinc/17/42/19/528174219.db2.gz QOGKKVYSFWAHMU-RDJZCZTQSA-N 2 0 276.424 2.938 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422742268 528184018 /nfs/dbraw/zinc/18/40/18/528184018.db2.gz RAOBXOLZBJBDGT-UONOGXRCSA-N 2 0 264.413 2.937 20 0 CFADRP CC(C)COc1ccccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000422742266 528184196 /nfs/dbraw/zinc/18/41/96/528184196.db2.gz RAOBXOLZBJBDGT-KBPBESRZSA-N 2 0 264.413 2.937 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422738290 528188385 /nfs/dbraw/zinc/18/83/85/528188385.db2.gz JKUHMWSKRPAJRY-RCCFBDPRSA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422779755 528191401 /nfs/dbraw/zinc/19/14/01/528191401.db2.gz GMVAHBCPOUVQDY-MAUKXSAKSA-N 2 0 289.467 2.616 20 0 CFADRP CC[NH+](CC)Cc1ccc(CN[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422779757 528191515 /nfs/dbraw/zinc/19/15/15/528191515.db2.gz GMVAHBCPOUVQDY-QAPCUYQASA-N 2 0 289.467 2.616 20 0 CFADRP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000414804647 528195288 /nfs/dbraw/zinc/19/52/88/528195288.db2.gz NUYDTRGWUQDFON-CYBMUJFWSA-N 2 0 291.439 2.854 20 0 CFADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422690022 528195652 /nfs/dbraw/zinc/19/56/52/528195652.db2.gz GBPIMDLHSSMTAE-CABCVRRESA-N 3 0 277.456 2.744 20 0 CFADRP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422892330 528205233 /nfs/dbraw/zinc/20/52/33/528205233.db2.gz MTJUKYULOIVOFQ-CHWSQXEVSA-N 2 0 262.397 2.732 20 0 CFADRP CCC[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423257740 528220778 /nfs/dbraw/zinc/22/07/78/528220778.db2.gz KVGFHTFZWJMBBW-CABCVRRESA-N 2 0 261.413 2.902 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000423282709 528223578 /nfs/dbraw/zinc/22/35/78/528223578.db2.gz WUFHJCRQPZQQMO-CJNGLKHVSA-N 2 0 264.413 2.982 20 0 CFADRP CC(C)Oc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414832275 528224342 /nfs/dbraw/zinc/22/43/42/528224342.db2.gz OHTMTIQKBXGUSC-AWEZNQCLSA-N 2 0 262.397 2.563 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414858331 528226725 /nfs/dbraw/zinc/22/67/25/528226725.db2.gz RKKUILNPPWXBJJ-ZBFHGGJFSA-N 2 0 276.424 2.952 20 0 CFADRP CC[NH+](CC)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)CC(C)C ZINC000422826742 528246227 /nfs/dbraw/zinc/24/62/27/528246227.db2.gz MAGHBDXRLPGGAC-LSDHHAIUSA-N 2 0 292.471 2.901 20 0 CFADRP CCOc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1OC ZINC000414967202 528275384 /nfs/dbraw/zinc/27/53/84/528275384.db2.gz HAXNUWAJUSCQII-HNNXBMFYSA-N 2 0 292.423 2.716 20 0 CFADRP CCOc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OCC(C)C ZINC000414868612 528276922 /nfs/dbraw/zinc/27/69/22/528276922.db2.gz DVLFPJSOKJFRRG-AWEZNQCLSA-N 2 0 294.439 2.805 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])CC(C)C ZINC000422824876 528280482 /nfs/dbraw/zinc/28/04/82/528280482.db2.gz IFIBDVHNPUUMJO-YESZJQIVSA-N 2 0 283.504 2.993 20 0 CFADRP CC[NH2+]CCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423236614 528329413 /nfs/dbraw/zinc/32/94/13/528329413.db2.gz OPCQQCDNMUCVQJ-UHFFFAOYSA-N 2 0 283.504 2.865 20 0 CFADRP CC(C)C[C@@H]([NH3+])CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414697747 528347833 /nfs/dbraw/zinc/34/78/33/528347833.db2.gz CWBWODVHLQPORC-QGZVFWFLSA-N 2 0 291.483 2.860 20 0 CFADRP CC(C)C[C@@H]([NH3+])c1noc(C2C[C@H]3CCC[C@@H](C2)C3[NH3+])n1 ZINC000414609747 528350590 /nfs/dbraw/zinc/35/05/90/528350590.db2.gz AOSRWBWFMAHJPR-NFMDPKQHSA-N 2 0 292.427 2.737 20 0 CFADRP CC[NH2+]Cc1ccccc1NC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414859164 528358382 /nfs/dbraw/zinc/35/83/82/528358382.db2.gz ASBUAGQNQVSWEQ-KBPBESRZSA-N 2 0 261.413 2.596 20 0 CFADRP CC(C)C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccs1 ZINC000423178518 528358508 /nfs/dbraw/zinc/35/85/08/528358508.db2.gz KSPSEMMGWUWJMF-OAHLLOKOSA-N 2 0 295.496 2.720 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423123615 528359195 /nfs/dbraw/zinc/35/91/95/528359195.db2.gz NAZVRKCFXFOQID-UONOGXRCSA-N 2 0 292.471 2.620 20 0 CFADRP CCN(CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422778741 528459955 /nfs/dbraw/zinc/45/99/55/528459955.db2.gz DXWAOAWNIVNZMQ-WBVHZDCISA-N 2 0 275.440 2.633 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425363825 528461663 /nfs/dbraw/zinc/46/16/63/528461663.db2.gz WUAQFQXHJYYTTI-KGLIPLIRSA-N 2 0 256.459 2.735 20 0 CFADRP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCC(C)CC1 ZINC000422844232 528461983 /nfs/dbraw/zinc/46/19/83/528461983.db2.gz LGSYWFJYFJGSQM-UJJTZGENSA-N 2 0 293.499 2.616 20 0 CFADRP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414858531 528464672 /nfs/dbraw/zinc/46/46/72/528464672.db2.gz RWWUWCQERKEUBS-UKRRQHHQSA-N 2 0 292.423 2.572 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H](C)CCC[NH3+])N1CCCCCC1 ZINC000422968304 528465796 /nfs/dbraw/zinc/46/57/96/528465796.db2.gz WGIWDSHYSOLXAG-HZPDHXFCSA-N 2 0 269.477 2.604 20 0 CFADRP CC[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C(C)C ZINC000422875180 528515922 /nfs/dbraw/zinc/51/59/22/528515922.db2.gz CDQNMYBQLMIWQP-YESZJQIVSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423275667 528530488 /nfs/dbraw/zinc/53/04/88/528530488.db2.gz NHTJFAJMFDWKND-BCLQGDPASA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414801520 528531652 /nfs/dbraw/zinc/53/16/52/528531652.db2.gz UGJVJPMQZDBVLL-FZMZJTMJSA-N 2 0 254.805 2.844 20 0 CFADRP CC(C)n1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000414807713 528567024 /nfs/dbraw/zinc/56/70/24/528567024.db2.gz JILIJQOAUVTMQG-CYBMUJFWSA-N 2 0 272.396 2.774 20 0 CFADRP CC(C)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254191 528587913 /nfs/dbraw/zinc/58/79/13/528587913.db2.gz XLSDPYAFORXLRF-IUODEOHRSA-N 2 0 265.376 2.507 20 0 CFADRP CCCO[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414691873 528604152 /nfs/dbraw/zinc/60/41/52/528604152.db2.gz JZTNNOOFFAEWOK-LSDHHAIUSA-N 2 0 256.434 2.641 20 0 CFADRP CCOCCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCCC1 ZINC000422892637 528637543 /nfs/dbraw/zinc/63/75/43/528637543.db2.gz YYVDYPDGEHSJFZ-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CCCCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422815419 528650238 /nfs/dbraw/zinc/65/02/38/528650238.db2.gz BOTPTFPBKDCQHW-FVPDABNVSA-N 2 0 280.456 2.843 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1OCC ZINC000414881779 528685682 /nfs/dbraw/zinc/68/56/82/528685682.db2.gz KQJLCSXBFNODFY-CYBMUJFWSA-N 2 0 280.412 2.559 20 0 CFADRP CCCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414920708 528688940 /nfs/dbraw/zinc/68/89/40/528688940.db2.gz YQIXGSKLZKOECD-HNNXBMFYSA-N 2 0 262.397 2.707 20 0 CFADRP CC(C)[C@@H]1CC[C@H]([NH2+]CC2=CC[NH2+]CC2)C[C@H]1C ZINC000423349391 528709039 /nfs/dbraw/zinc/70/90/39/528709039.db2.gz WLOPELCUQJIWRZ-KBMXLJTQSA-N 2 0 250.430 2.957 20 0 CFADRP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422699805 528720607 /nfs/dbraw/zinc/72/06/07/528720607.db2.gz BCWZONANNCYVJO-AWEZNQCLSA-N 2 0 297.487 2.521 20 0 CFADRP CCCOc1ccc([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cc1OC ZINC000422892091 528721775 /nfs/dbraw/zinc/72/17/75/528721775.db2.gz MCCCUAVEGBNCQK-CHWSQXEVSA-N 2 0 292.423 2.743 20 0 CFADRP CCCn1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)nc2ccccc21 ZINC000414837110 528819306 /nfs/dbraw/zinc/81/93/06/528819306.db2.gz UEHJHDBYMRQDCM-AWEZNQCLSA-N 2 0 286.423 2.536 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422922276 528823208 /nfs/dbraw/zinc/82/32/08/528823208.db2.gz SMBMXXAUSZJZCT-ZKXLYKBJSA-N 2 0 294.483 2.948 20 0 CFADRP CCC(CC)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422814886 528823456 /nfs/dbraw/zinc/82/34/56/528823456.db2.gz AKABWNIUGKSYGR-DJIMGWMZSA-N 2 0 281.488 2.617 20 0 CFADRP CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423121845 528832012 /nfs/dbraw/zinc/83/20/12/528832012.db2.gz JJGPQAZNEICVQE-HRCADAONSA-N 2 0 269.477 2.616 20 0 CFADRP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)CCC[NH3+] ZINC000422855841 528836055 /nfs/dbraw/zinc/83/60/55/528836055.db2.gz FIZBPFDBPQPLPE-OAHLLOKOSA-N 3 0 277.456 2.744 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000423049002 528842190 /nfs/dbraw/zinc/84/21/90/528842190.db2.gz XBXBRPUBJKVSRJ-HODAJMAFSA-N 2 0 280.456 2.843 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423292189 528951047 /nfs/dbraw/zinc/95/10/47/528951047.db2.gz LXADENYTJSAOMG-QLFBSQMISA-N 2 0 268.445 2.689 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414812289 528952463 /nfs/dbraw/zinc/95/24/63/528952463.db2.gz QZCHRKRFSRVJKC-GFCCVEGCSA-N 2 0 252.377 2.864 20 0 CFADRP CCC([NH3+])(CC)CN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000414805515 528954718 /nfs/dbraw/zinc/95/47/18/528954718.db2.gz GERNEKLPHFZQLI-WBVHZDCISA-N 2 0 289.467 2.929 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423064780 528964177 /nfs/dbraw/zinc/96/41/77/528964177.db2.gz AIRFCKCHSULZQF-HRCADAONSA-N 2 0 282.472 2.828 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422792720 528968484 /nfs/dbraw/zinc/96/84/84/528968484.db2.gz WEQZEGMPLFALLP-KSZLIROESA-N 3 0 293.499 2.619 20 0 CFADRP CC[NH+]1CCC(NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000414851385 528987021 /nfs/dbraw/zinc/98/70/21/528987021.db2.gz UFTUFKKTBBQORB-GOSISDBHSA-N 2 0 289.467 2.884 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000422813708 529015335 /nfs/dbraw/zinc/01/53/35/529015335.db2.gz SFTRNHNDUIGFSD-BZZMCLGOSA-N 2 0 290.451 2.768 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000422837405 529017636 /nfs/dbraw/zinc/01/76/36/529017636.db2.gz UFEZOKPIQOSRSD-KBMXLJTQSA-N 2 0 261.413 2.538 20 0 CFADRP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414798316 529072111 /nfs/dbraw/zinc/07/21/11/529072111.db2.gz QDEWUDGWMJFXEK-YESZJQIVSA-N 2 0 260.425 2.971 20 0 CFADRP CC[C@@H]([NH2+]CCCOc1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422862294 529162427 /nfs/dbraw/zinc/16/24/27/529162427.db2.gz PRZUKWXZEADSKU-SJORKVTESA-N 2 0 276.424 2.884 20 0 CFADRP CC[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C(=O)OC)cc1 ZINC000423238378 529169271 /nfs/dbraw/zinc/16/92/71/529169271.db2.gz ACHOKSSUHWNZBL-CZUORRHYSA-N 2 0 290.407 2.514 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000423282447 529171951 /nfs/dbraw/zinc/17/19/51/529171951.db2.gz WOWKVYXQRDQBJT-GXTWGEPZSA-N 2 0 280.412 2.600 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccccc1OC ZINC000423278850 529172402 /nfs/dbraw/zinc/17/24/02/529172402.db2.gz RSNNUYDWIKADRO-GXTWGEPZSA-N 2 0 250.386 2.591 20 0 CFADRP CCc1cccc(F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768588 529173634 /nfs/dbraw/zinc/17/36/34/529173634.db2.gz LZXOTIWSSVMRBZ-GASCZTMLSA-N 2 0 276.399 2.820 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422836268 529175689 /nfs/dbraw/zinc/17/56/89/529175689.db2.gz QTZUBNPJLGUPIT-ZACQAIPSSA-N 2 0 275.440 2.941 20 0 CFADRP CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cnn(C)c1 ZINC000423292998 529184771 /nfs/dbraw/zinc/18/47/71/529184771.db2.gz PHDYKCGZEDXJLL-MLGOLLRUSA-N 2 0 272.396 2.681 20 0 CFADRP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1F ZINC000422821270 529361138 /nfs/dbraw/zinc/36/11/38/529361138.db2.gz VGZSRSBIVVBNAZ-IZGVIRRGSA-N 2 0 292.398 2.856 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Oc1ccccc1F ZINC000422816419 529368898 /nfs/dbraw/zinc/36/88/98/529368898.db2.gz FDOCWLGMRZELHO-GZBFAFLISA-N 2 0 280.387 2.700 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000422848384 529370580 /nfs/dbraw/zinc/37/05/80/529370580.db2.gz JWJDHPMCKAZIHH-XPKDYRNWSA-N 2 0 280.387 2.700 20 0 CFADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])Oc1ccccc1Cl ZINC000422837141 529370763 /nfs/dbraw/zinc/37/07/63/529370763.db2.gz LOIDPMJLWGLRHC-XBFCOCLRSA-N 2 0 282.815 2.967 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)C2CCCC2)C1 ZINC000446742576 534947207 /nfs/dbraw/zinc/94/72/07/534947207.db2.gz GKZROSBMDSEQMR-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)C2CCCC2)C1 ZINC000446742575 534950695 /nfs/dbraw/zinc/95/06/95/534950695.db2.gz GKZROSBMDSEQMR-GOEBONIOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](Cc1sc(C)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435380545 535399804 /nfs/dbraw/zinc/39/98/04/535399804.db2.gz OTCQQYKHZLMCFT-ZDUSSCGKSA-N 2 0 267.442 2.724 20 0 CFADRP CCc1ccc(CC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435613951 536169377 /nfs/dbraw/zinc/16/93/77/536169377.db2.gz LJBUSMVZZUMHPG-QGZVFWFLSA-N 2 0 260.425 2.865 20 0 CFADRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000459738613 536891992 /nfs/dbraw/zinc/89/19/92/536891992.db2.gz RZTBXSYEOJUFPT-CQSZACIVSA-N 2 0 292.423 2.525 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000269012547 536947054 /nfs/dbraw/zinc/94/70/54/536947054.db2.gz NVXJPOJTHILAAT-HNNXBMFYSA-N 2 0 262.397 2.614 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000228812133 545497421 /nfs/dbraw/zinc/49/74/21/545497421.db2.gz MFWFTDOBEKEYOE-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1ncc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)s1 ZINC000090408297 545501614 /nfs/dbraw/zinc/50/16/14/545501614.db2.gz NOLSIEVPXZCNRV-LLVKDONJSA-N 2 0 267.442 2.834 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccoc2)C1 ZINC000727465601 574051994 /nfs/dbraw/zinc/05/19/94/574051994.db2.gz FBBFQRCKQSIEMJ-CQSZACIVSA-N 2 0 250.386 2.881 20 0 CFADRP CC[N@@H+]1CCN(c2cc[nH+]c3cc(OC)ccc32)C[C@@H]1C ZINC000754079545 574070023 /nfs/dbraw/zinc/07/00/23/574070023.db2.gz JOTWEPFBYGTYBE-ZDUSSCGKSA-N 2 0 285.391 2.774 20 0 CFADRP Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)nc(N)[nH+]1 ZINC000747227049 574187998 /nfs/dbraw/zinc/18/79/98/574187998.db2.gz XBXLNVVYURSGNB-UHFFFAOYSA-N 2 0 289.427 2.576 20 0 CFADRP C[N@H+](CCCOc1ccccc1)CC1CC[NH+](C)CC1 ZINC000729265617 574194537 /nfs/dbraw/zinc/19/45/37/574194537.db2.gz OKAGOBCLNNFJIR-UHFFFAOYSA-N 2 0 276.424 2.729 20 0 CFADRP Cc1nc(C[N@H+](C)CC2CC[NH+](C)CC2)sc1C ZINC000756048202 574206399 /nfs/dbraw/zinc/20/63/99/574206399.db2.gz NYBVQGNAQDMMSS-UHFFFAOYSA-N 2 0 267.442 2.534 20 0 CFADRP Cn1cncc1C[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000729681955 574227979 /nfs/dbraw/zinc/22/79/79/574227979.db2.gz CIAYMTNGBNCCEE-UHFFFAOYSA-N 2 0 278.444 2.556 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CCCCCCO)CC1 ZINC000750179280 574329682 /nfs/dbraw/zinc/32/96/82/574329682.db2.gz NRFTYBUKFHCRCU-UHFFFAOYSA-N 2 0 270.461 2.591 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)CCO1 ZINC000396445367 574355223 /nfs/dbraw/zinc/35/52/23/574355223.db2.gz DFHFMDVTHPGQOG-BPUTZDHNSA-N 2 0 268.445 2.510 20 0 CFADRP COC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000396456430 574355230 /nfs/dbraw/zinc/35/52/30/574355230.db2.gz MSUVUKWJSVKSOU-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CO ZINC000398151996 574363122 /nfs/dbraw/zinc/36/31/22/574363122.db2.gz YXCWQRLVYNHUQF-WBVHZDCISA-N 2 0 290.451 2.505 20 0 CFADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CO ZINC000398151994 574363237 /nfs/dbraw/zinc/36/32/37/574363237.db2.gz YXCWQRLVYNHUQF-RDJZCZTQSA-N 2 0 290.451 2.505 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000394038563 617622396 /nfs/dbraw/zinc/62/23/96/617622396.db2.gz BWOQHKUKZKELEX-CQSZACIVSA-N 2 0 268.401 2.589 20 0 CFADRP C[NH+](C)CC1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000891612011 617685743 /nfs/dbraw/zinc/68/57/43/617685743.db2.gz HLPLOBHZOYASAB-UHFFFAOYSA-N 2 0 288.435 2.785 20 0 CFADRP CCc1[nH]nc(Cl)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000891775407 617746756 /nfs/dbraw/zinc/74/67/56/617746756.db2.gz NPNRIQZCUIZLBV-UHFFFAOYSA-N 2 0 298.862 2.789 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)CC1 ZINC000891786125 617753161 /nfs/dbraw/zinc/75/31/61/617753161.db2.gz LBPWSTAAAGPRJH-RYTJFDOTSA-N 2 0 262.441 2.839 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088432474 617756093 /nfs/dbraw/zinc/75/60/93/617756093.db2.gz NTKNOBMJVGJGNZ-LLVKDONJSA-N 2 0 252.324 2.780 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]CCCCCC[NH3+] ZINC000843343438 617815652 /nfs/dbraw/zinc/81/56/52/617815652.db2.gz UCYBUOPNDUQIFE-OAHLLOKOSA-N 2 0 262.397 2.791 20 0 CFADRP C[NH+]1CCC(CN2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000891906144 617818030 /nfs/dbraw/zinc/81/80/30/617818030.db2.gz FIWRAHHIGCGRAP-QGZVFWFLSA-N 2 0 292.398 2.541 20 0 CFADRP ClC1(Cl)C[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843387558 617879832 /nfs/dbraw/zinc/87/98/32/617879832.db2.gz GYLBTNQNRHCADE-XQQFMLRXSA-N 2 0 291.266 2.892 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000262018899 617902770 /nfs/dbraw/zinc/90/27/70/617902770.db2.gz VYLXHSGHMZPUOA-DZGCQCFKSA-N 2 0 262.397 2.563 20 0 CFADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(O)c(F)c2)C[C@@H]1C ZINC000892102137 617949613 /nfs/dbraw/zinc/94/96/13/617949613.db2.gz CMSLWXJQFUOOCV-GXTWGEPZSA-N 2 0 280.387 2.836 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CCC(OC)CC2)C[C@@H]1C ZINC000892104495 617952211 /nfs/dbraw/zinc/95/22/11/617952211.db2.gz RZIBERLYSKOFEG-ORBLRFAASA-N 2 0 282.472 2.996 20 0 CFADRP COC1CCC(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000892113563 617957532 /nfs/dbraw/zinc/95/75/32/617957532.db2.gz YJTIJWCVLCFLEN-CGZBRXJRSA-N 2 0 282.472 2.998 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cn2ccnc2s1 ZINC000892114164 617958248 /nfs/dbraw/zinc/95/82/48/617958248.db2.gz MKYBANUFCSYFTO-CYBMUJFWSA-N 2 0 292.452 2.702 20 0 CFADRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000892122279 617961181 /nfs/dbraw/zinc/96/11/81/617961181.db2.gz VIFAXMXPAIWIFF-UHFFFAOYSA-N 2 0 280.412 2.842 20 0 CFADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000892224580 618014057 /nfs/dbraw/zinc/01/40/57/618014057.db2.gz XTKRRXNGYOADJP-HZPDHXFCSA-N 2 0 292.423 2.509 20 0 CFADRP Cc1[nH+]ccc(N2CCC[C@@H]([NH+](C)C)C2)c1Br ZINC000892288217 618091745 /nfs/dbraw/zinc/09/17/45/618091745.db2.gz KJEKVWFNGHGBIY-LLVKDONJSA-N 2 0 298.228 2.683 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000846222259 618098521 /nfs/dbraw/zinc/09/85/21/618098521.db2.gz BSFKGSZRNDPUJI-LSDHHAIUSA-N 2 0 256.434 2.689 20 0 CFADRP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245454 618102202 /nfs/dbraw/zinc/10/22/02/618102202.db2.gz XGOQACOWXMSAFW-CYBMUJFWSA-N 2 0 270.376 2.629 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000926457177 618133641 /nfs/dbraw/zinc/13/36/41/618133641.db2.gz LEVFPBDWXBUJQL-KRWDZBQOSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H](C)CCCCO)CC1 ZINC000926508744 618165767 /nfs/dbraw/zinc/16/57/67/618165767.db2.gz DMVNBANJOASIMC-OAHLLOKOSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)C[C@H]1C[N@H+](C)CCN1C[C@H]1CCCC[NH+]1C(C)C ZINC000933252512 618176841 /nfs/dbraw/zinc/17/68/41/618176841.db2.gz XLBHVUITNKADRC-MSOLQXFVSA-N 2 0 295.515 2.911 20 0 CFADRP CC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)[C@H](C)O ZINC000926525018 618180037 /nfs/dbraw/zinc/18/00/37/618180037.db2.gz IBZDROWZDGXYGD-WWGRRREGSA-N 2 0 264.413 2.558 20 0 CFADRP C[N@H+](CCC[NH2+]C[C@@H](O)c1ccccc1)Cc1ccccc1 ZINC000309562872 618208072 /nfs/dbraw/zinc/20/80/72/618208072.db2.gz SQAPWZGOFGCWRW-LJQANCHMSA-N 2 0 298.430 2.832 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC000926559279 618208084 /nfs/dbraw/zinc/20/80/84/618208084.db2.gz MLSKSQAACFKACP-GDBMZVCRSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]1C[C@H](C[N@H+](C)CCc2cccs2)CC[NH2+]1 ZINC000235723723 618209679 /nfs/dbraw/zinc/20/96/79/618209679.db2.gz OUMIHXYITIIEON-QWHCGFSZSA-N 2 0 252.427 2.611 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000926560588 618209716 /nfs/dbraw/zinc/20/97/16/618209716.db2.gz SJPWJYFWWBQMIE-CVEARBPZSA-N 2 0 268.445 2.512 20 0 CFADRP C1C[C@@H]([NH2+][C@@H]2CCCSC2)[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000252979654 618214527 /nfs/dbraw/zinc/21/45/27/618214527.db2.gz IUVPCJVSKDMVBR-LXTVHRRPSA-N 2 0 268.470 2.782 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926572656 618216758 /nfs/dbraw/zinc/21/67/58/618216758.db2.gz GJXMNTHUEZSZSJ-OAGGEKHMSA-N 2 0 270.461 2.638 20 0 CFADRP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926572657 618216953 /nfs/dbraw/zinc/21/69/53/618216953.db2.gz GJXMNTHUEZSZSJ-XHSDSOJGSA-N 2 0 270.461 2.638 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000926575125 618217249 /nfs/dbraw/zinc/21/72/49/618217249.db2.gz XSGYVSGBKRKXFS-PBHICJAKSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000926600149 618227138 /nfs/dbraw/zinc/22/71/38/618227138.db2.gz UFJACRMMQCUSDG-WBVHZDCISA-N 2 0 282.472 2.638 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCSCc2ccccc2F)CC1 ZINC000892408748 618231021 /nfs/dbraw/zinc/23/10/21/618231021.db2.gz MIWZFYWVODRTPU-UHFFFAOYSA-N 2 0 296.455 2.990 20 0 CFADRP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c2ccccc12 ZINC000094692737 618246818 /nfs/dbraw/zinc/24/68/18/618246818.db2.gz ATNFCYSBIRCYNA-CYBMUJFWSA-N 2 0 270.376 2.629 20 0 CFADRP COc1c2ccccc2oc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000893956923 618252843 /nfs/dbraw/zinc/25/28/43/618252843.db2.gz JXHZXUCIBOYPIW-UHFFFAOYSA-N 2 0 288.391 2.873 20 0 CFADRP c1ccc(C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C2CC2)cc1 ZINC000925572832 618254278 /nfs/dbraw/zinc/25/42/78/618254278.db2.gz RUSOMJHFSOHAQI-VIUKOLAESA-N 2 0 282.431 2.594 20 0 CFADRP C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H]1C1CCCCC1 ZINC000925576610 618259813 /nfs/dbraw/zinc/25/98/13/618259813.db2.gz YAKYBPUJAYWSIL-HCCOSRNKSA-N 2 0 260.425 2.541 20 0 CFADRP CC[C@H](O)CCC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925580493 618265350 /nfs/dbraw/zinc/26/53/50/618265350.db2.gz LACGRIDNRYZSBP-HOTGVXAUSA-N 2 0 264.413 2.607 20 0 CFADRP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000893304400 618287653 /nfs/dbraw/zinc/28/76/53/618287653.db2.gz NBUQMUFDAZEALL-DYVFJYSZSA-N 2 0 294.414 2.833 20 0 CFADRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c2c(n1)CCCC2 ZINC000893305344 618290528 /nfs/dbraw/zinc/29/05/28/618290528.db2.gz UXULZDWNGPTIKF-UHFFFAOYSA-N 2 0 285.435 2.620 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262120479 618290878 /nfs/dbraw/zinc/29/08/78/618290878.db2.gz MAEJOZPQNGQFOQ-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc2cccnc12 ZINC000262125277 618294813 /nfs/dbraw/zinc/29/48/13/618294813.db2.gz XPYRRNZFKVVUTQ-GOSISDBHSA-N 2 0 281.403 2.729 20 0 CFADRP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894060822 618297732 /nfs/dbraw/zinc/29/77/32/618297732.db2.gz ZLCYNMVGHYZUTB-KRWDZBQOSA-N 2 0 296.455 2.526 20 0 CFADRP CCO[C@@H](C[NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000894069055 618304715 /nfs/dbraw/zinc/30/47/15/618304715.db2.gz TYUDNTSCUMBWBW-KRWDZBQOSA-N 2 0 276.424 2.696 20 0 CFADRP CSCc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000894083615 618305622 /nfs/dbraw/zinc/30/56/22/618305622.db2.gz OCEASGDLSYOMGC-IYBDPMFKSA-N 2 0 276.449 2.543 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(c2ccccn2)[C@@H]2CCSC2)CC1 ZINC000895110486 618306425 /nfs/dbraw/zinc/30/64/25/618306425.db2.gz NBVBQSJFIYLSSM-MGPQQGTHSA-N 2 0 277.437 2.663 20 0 CFADRP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610094 618306623 /nfs/dbraw/zinc/30/66/23/618306623.db2.gz YWNIZKYRMUQZRR-IEAZIUSSSA-N 2 0 288.435 2.689 20 0 CFADRP [NH3+][C@H]1CC[C@H](N(C[C@@H]2CCSC2)c2ccccn2)CC1 ZINC000895113699 618314112 /nfs/dbraw/zinc/31/41/12/618314112.db2.gz XOWSXZUPQWOMQU-KKUMJFAQSA-N 2 0 291.464 2.911 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(F)nc2)C1 ZINC000188991956 618319852 /nfs/dbraw/zinc/31/98/52/618319852.db2.gz PYKSUNBFYXMYKR-CQSZACIVSA-N 2 0 279.403 2.822 20 0 CFADRP CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925110981 618320689 /nfs/dbraw/zinc/32/06/89/618320689.db2.gz JVNRVTNQCMHEMT-WOSRLPQWSA-N 2 0 296.480 2.511 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925621624 618336767 /nfs/dbraw/zinc/33/67/67/618336767.db2.gz FRSLOVPJGOYSPY-KURKYZTESA-N 2 0 296.499 2.932 20 0 CFADRP COC[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(C)o1 ZINC000925622030 618339891 /nfs/dbraw/zinc/33/98/91/618339891.db2.gz IJVHNHSTCDYANL-MJBXVCDLSA-N 2 0 280.412 2.771 20 0 CFADRP CCC[C@H](CCO)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925623761 618343869 /nfs/dbraw/zinc/34/38/69/618343869.db2.gz SNQZMSYFIJOKGG-PVAVHDDUSA-N 2 0 282.472 2.543 20 0 CFADRP CCCCC[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000053382987 618344375 /nfs/dbraw/zinc/34/43/75/618344375.db2.gz KPWMTFMYSLUKIU-OAHLLOKOSA-N 2 0 269.477 2.571 20 0 CFADRP COC(=O)c1cc(CNCCC[N@H+](C)CC(C)C)cs1 ZINC000895128780 618348826 /nfs/dbraw/zinc/34/88/26/618348826.db2.gz FKGVXWBRAFUNOI-UHFFFAOYSA-N 2 0 298.452 2.602 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCSCC(F)(F)F)C1 ZINC000925627859 618354073 /nfs/dbraw/zinc/35/40/73/618354073.db2.gz ALCUZVROYFKQJU-NXEZZACHSA-N 2 0 284.391 2.778 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925629585 618358681 /nfs/dbraw/zinc/35/86/81/618358681.db2.gz KIJFHRISACATCU-SRMUXQRQSA-N 2 0 292.398 2.761 20 0 CFADRP C(C[C@H]1CCCCO1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925631571 618360111 /nfs/dbraw/zinc/36/01/11/618360111.db2.gz IBBVZNYXRYHTNZ-ZACQAIPSSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925631679 618361090 /nfs/dbraw/zinc/36/10/90/618361090.db2.gz WGJGSWKTXKBGGZ-CJNGLKHVSA-N 2 0 276.424 2.604 20 0 CFADRP Cc1cncc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925632047 618361209 /nfs/dbraw/zinc/36/12/09/618361209.db2.gz ZHOJDUXJSOPOMO-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925634674 618368256 /nfs/dbraw/zinc/36/82/56/618368256.db2.gz JTGKTDDNSOBMEZ-KSYCFECVSA-N 2 0 292.398 2.761 20 0 CFADRP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925635075 618368353 /nfs/dbraw/zinc/36/83/53/618368353.db2.gz MHBKIGRAKFYLJY-QBPKDAKJSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925636079 618369606 /nfs/dbraw/zinc/36/96/06/618369606.db2.gz QAQQUYXGVVAEHI-SJORKVTESA-N 2 0 290.451 2.853 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)CC1 ZINC000895148296 618388638 /nfs/dbraw/zinc/38/86/38/618388638.db2.gz SDUTWCIWXLVIQC-CHWSQXEVSA-N 2 0 262.800 2.623 20 0 CFADRP CCn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C)n1 ZINC000893332314 618389330 /nfs/dbraw/zinc/38/93/30/618389330.db2.gz QRAOVKGHEIEHAS-UHFFFAOYSA-N 2 0 286.423 2.563 20 0 CFADRP CCc1onc(C)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000893332483 618389460 /nfs/dbraw/zinc/38/94/60/618389460.db2.gz RTOONINANPNOAN-UHFFFAOYSA-N 2 0 287.407 2.897 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nccs1 ZINC000925648313 618396135 /nfs/dbraw/zinc/39/61/35/618396135.db2.gz SSTQGGYIHCIJSC-UTUOFQBUSA-N 2 0 267.442 2.742 20 0 CFADRP CC(C)(CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C[NH+]1CCCC1 ZINC000925650669 618401765 /nfs/dbraw/zinc/40/17/65/618401765.db2.gz QOFYYEVOTJUXTK-LSDHHAIUSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1nc(C)c(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)[nH]1 ZINC000931106189 618412521 /nfs/dbraw/zinc/41/25/21/618412521.db2.gz YHFZXKIRBARVSP-LBPRGKRZSA-N 2 0 284.407 2.867 20 0 CFADRP C[C@]1(C[NH3+])CCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000261760636 618421385 /nfs/dbraw/zinc/42/13/85/618421385.db2.gz CVZXSJYKHRTNFP-CQSZACIVSA-N 2 0 279.384 2.606 20 0 CFADRP Cc1ccnc(N)c1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000894181406 618430823 /nfs/dbraw/zinc/43/08/23/618430823.db2.gz SYBYVYMZLFZJHV-UHFFFAOYSA-N 2 0 290.455 2.574 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925668454 618434757 /nfs/dbraw/zinc/43/47/57/618434757.db2.gz HSGQCYUGQCBZST-ILXRZTDVSA-N 2 0 269.477 2.602 20 0 CFADRP CCCC[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925668455 618435067 /nfs/dbraw/zinc/43/50/67/618435067.db2.gz HSGQCYUGQCBZST-KFWWJZLASA-N 2 0 269.477 2.602 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925674882 618445848 /nfs/dbraw/zinc/44/58/48/618445848.db2.gz DUVUJRRHBVWUNL-QLFBSQMISA-N 2 0 269.477 2.602 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(F)cc(F)cc1F ZINC000925676611 618451620 /nfs/dbraw/zinc/45/16/20/618451620.db2.gz RYFRKNQSVSIDES-VJQLOYKJSA-N 2 0 284.325 2.709 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CSC3)CC2)C1 ZINC000877634977 618451780 /nfs/dbraw/zinc/45/17/80/618451780.db2.gz XFUSUZAXAVMCDL-WFASDCNBSA-N 2 0 268.470 2.735 20 0 CFADRP C[C@@H]([NH3+])[C@@H](NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000925677428 618453937 /nfs/dbraw/zinc/45/39/37/618453937.db2.gz PQYJHKSALFFZBR-SJLPKXTDSA-N 2 0 289.467 2.931 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@H]1CC12CCOCC2)c1ccccc1 ZINC000925682416 618465254 /nfs/dbraw/zinc/46/52/54/618465254.db2.gz WPKHYZPQPCWIQV-SJORKVTESA-N 2 0 288.435 2.873 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCO1 ZINC000925683369 618467784 /nfs/dbraw/zinc/46/77/84/618467784.db2.gz PKXQRJKFOVFEEJ-FPCVCCKLSA-N 2 0 282.472 2.933 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)C12CCC2 ZINC000925683590 618468128 /nfs/dbraw/zinc/46/81/28/618468128.db2.gz SWORGECJQKEIGQ-UONOGXRCSA-N 2 0 298.789 2.717 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cccc(C[NH+](C)C)c1 ZINC000926715454 618475157 /nfs/dbraw/zinc/47/51/57/618475157.db2.gz TXYVMBXLKGCIBS-IAOVAPTHSA-N 2 0 288.435 2.702 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)[NH+](C)C)C1 ZINC000895292295 618511687 /nfs/dbraw/zinc/51/16/87/618511687.db2.gz FJEMUEQSHBEMCN-PMPSAXMXSA-N 2 0 298.471 2.818 20 0 CFADRP C[C@H](CC[NH2+][C@@H](C)CCc1ccsc1)[NH+](C)C ZINC000895294573 618514053 /nfs/dbraw/zinc/51/40/53/618514053.db2.gz RRPABZTYNPDTRF-QWHCGFSZSA-N 2 0 254.443 2.999 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294547 618514185 /nfs/dbraw/zinc/51/41/85/618514185.db2.gz QSIHPCCGHXWWOU-STQMWFEESA-N 2 0 254.443 2.999 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294543 618514199 /nfs/dbraw/zinc/51/41/99/618514199.db2.gz QSIHPCCGHXWWOU-OLZOCXBDSA-N 2 0 254.443 2.999 20 0 CFADRP C[C@H](CC[NH2+]C/C=C/c1ccc(F)cc1)[NH+](C)C ZINC000895296341 618517765 /nfs/dbraw/zinc/51/77/65/618517765.db2.gz GWDXFPDZICFASK-MUBLQREKSA-N 2 0 250.361 2.769 20 0 CFADRP C[C@@H](CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[NH+](C)C ZINC000895296285 618518209 /nfs/dbraw/zinc/51/82/09/618518209.db2.gz FGXKMBDOZVCESG-RYRKJORJSA-N 2 0 295.515 2.959 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895296591 618518921 /nfs/dbraw/zinc/51/89/21/618518921.db2.gz PUYPSNPLPUUYDY-RHSMWYFYSA-N 2 0 296.430 2.703 20 0 CFADRP Cc1ncccc1C[N@H+]1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895376789 618555692 /nfs/dbraw/zinc/55/56/92/618555692.db2.gz JSIJIRCRHKLKJP-YOEHRIQHSA-N 2 0 275.440 2.942 20 0 CFADRP CCCn1nccc1CN1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000895381768 618559814 /nfs/dbraw/zinc/55/98/14/618559814.db2.gz WKJSDMZSEBVHDD-RDJZCZTQSA-N 2 0 292.471 2.845 20 0 CFADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895434741 618580567 /nfs/dbraw/zinc/58/05/67/618580567.db2.gz CORAXCFONZOSLU-GOSISDBHSA-N 2 0 287.451 2.539 20 0 CFADRP CC(C)c1c[nH]c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000895440060 618587158 /nfs/dbraw/zinc/58/71/58/618587158.db2.gz NEPNNTKNAWJNJR-UHFFFAOYSA-N 2 0 290.455 2.841 20 0 CFADRP CCN1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924569409 618615688 /nfs/dbraw/zinc/61/56/88/618615688.db2.gz GZMDDRAKQRNMCB-HNNXBMFYSA-N 2 0 289.467 2.883 20 0 CFADRP CC(C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000892535723 618616923 /nfs/dbraw/zinc/61/69/23/618616923.db2.gz QZWIFCLKDMQOAX-SFHVURJKSA-N 3 0 295.515 2.818 20 0 CFADRP CCn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c(C)n1 ZINC000892583974 618642786 /nfs/dbraw/zinc/64/27/86/618642786.db2.gz FXLDWFZMHKKKIL-HNNXBMFYSA-N 2 0 292.471 2.813 20 0 CFADRP COc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)nc1 ZINC000892589947 618645122 /nfs/dbraw/zinc/64/51/22/618645122.db2.gz WGFSXXPMHIMJSK-UHFFFAOYSA-N 2 0 291.439 2.692 20 0 CFADRP CCCSC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892608958 618652465 /nfs/dbraw/zinc/65/24/65/618652465.db2.gz SPJUWYXCXGCZRO-MJBXVCDLSA-N 2 0 256.459 2.735 20 0 CFADRP COCCCC1(C[NH2+]C[C@H](C)C[NH+]2CCCC2)CCC1 ZINC000892621224 618657549 /nfs/dbraw/zinc/65/75/49/618657549.db2.gz IHBIERGZJXHFKK-INIZCTEOSA-N 2 0 282.472 2.905 20 0 CFADRP CO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926771630 618658379 /nfs/dbraw/zinc/65/83/79/618658379.db2.gz HDLWCFNEDTWUNY-DAXOMENPSA-N 2 0 262.397 2.576 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)c1cccc(C[NH+](C)C)c1 ZINC000926772618 618659674 /nfs/dbraw/zinc/65/96/74/618659674.db2.gz MHZYVPKNNWCGPJ-CYBMUJFWSA-N 2 0 285.391 2.700 20 0 CFADRP Cn1cc(CNC2CC[NH+](C(C)(C)C)CC2)c(C2CC2)n1 ZINC000892633502 618664887 /nfs/dbraw/zinc/66/48/87/618664887.db2.gz WJPFPJBLQNOOET-UHFFFAOYSA-N 2 0 290.455 2.650 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH2+]CCC[NH+]1CCCCC1 ZINC000163628895 618678896 /nfs/dbraw/zinc/67/88/96/618678896.db2.gz YKOYVJWVTKNZEI-LLVKDONJSA-N 2 0 265.228 2.646 20 0 CFADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892676062 618697433 /nfs/dbraw/zinc/69/74/33/618697433.db2.gz WRLMWTGFXIRUGA-GCBAQGIYSA-N 2 0 293.499 2.568 20 0 CFADRP Cc1ccc([C@@H](C[NH2+]CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000892739915 618737689 /nfs/dbraw/zinc/73/76/89/618737689.db2.gz JVQAGMFGNSGAKV-GOSISDBHSA-N 2 0 289.467 2.529 20 0 CFADRP Cc1ccc([C@H](C[NH2+]CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000892739917 618737778 /nfs/dbraw/zinc/73/77/78/618737778.db2.gz JVQAGMFGNSGAKV-SFHVURJKSA-N 2 0 289.467 2.529 20 0 CFADRP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000892745386 618738407 /nfs/dbraw/zinc/73/84/07/618738407.db2.gz OXFXUKLFFVDNJU-ZIAGYGMSSA-N 2 0 258.475 2.840 20 0 CFADRP CC(C)CCCC[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000892938892 618774250 /nfs/dbraw/zinc/77/42/50/618774250.db2.gz RZXIKJKKBXCRBV-UHFFFAOYSA-N 2 0 283.504 2.676 20 0 CFADRP COCCCC1(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000892946888 618778408 /nfs/dbraw/zinc/77/84/08/618778408.db2.gz RZNVLCFPYIIRNR-OAHLLOKOSA-N 2 0 268.445 2.515 20 0 CFADRP CCN(CC)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000309832203 618807483 /nfs/dbraw/zinc/80/74/83/618807483.db2.gz SNFKZHBHQULIAR-SJLPKXTDSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000893069914 618819609 /nfs/dbraw/zinc/81/96/09/618819609.db2.gz UAMDYTUIROZAID-ZDUSSCGKSA-N 2 0 280.387 2.524 20 0 CFADRP Cc1csc([C@H]([NH2+]CC2CC[NH+](C)CC2)C2CC2)n1 ZINC000893080934 618824406 /nfs/dbraw/zinc/82/44/06/618824406.db2.gz VEHHKQXTXHLOEH-CQSZACIVSA-N 2 0 279.453 2.834 20 0 CFADRP COC1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000893085589 618826112 /nfs/dbraw/zinc/82/61/12/618826112.db2.gz IGCYMBUCUNTXKQ-MSJJKYGJSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000893094841 618828891 /nfs/dbraw/zinc/82/88/91/618828891.db2.gz QTEGWSJNTXQMBE-KBPBESRZSA-N 2 0 282.378 2.970 20 0 CFADRP COc1ccccc1OCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925508683 618841727 /nfs/dbraw/zinc/84/17/27/618841727.db2.gz IIOIXWGIFNWTDG-KBPBESRZSA-N 2 0 292.423 2.570 20 0 CFADRP CC(C)[NH+](CCN[C@@H](c1ccccc1)[C@@H](C)[NH3+])C(C)C ZINC000925509643 618844666 /nfs/dbraw/zinc/84/46/66/618844666.db2.gz NKHRYBGYYCAJGN-NVXWUHKLSA-N 2 0 277.456 2.783 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925513036 618852410 /nfs/dbraw/zinc/85/24/10/618852410.db2.gz GYWNWPDFNFWWPZ-VNQPRFMTSA-N 2 0 274.408 2.622 20 0 CFADRP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925520604 618859077 /nfs/dbraw/zinc/85/90/77/618859077.db2.gz RZHLQBSRAZWFAS-GOSISDBHSA-N 2 0 299.462 2.657 20 0 CFADRP COC1CCC(C[NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000893187420 618872270 /nfs/dbraw/zinc/87/22/70/618872270.db2.gz PLSDTOFIVLDZIR-UHFFFAOYSA-N 2 0 282.472 2.902 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000925527454 618875446 /nfs/dbraw/zinc/87/54/46/618875446.db2.gz UQFLVVHLWRDZAG-IUOOZAAYSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC[NH+](C3CCCC3)CC1)[NH2+]2 ZINC000925534841 618889006 /nfs/dbraw/zinc/88/90/06/618889006.db2.gz QCGVIBNAKPJSQY-SIUPPRGNSA-N 2 0 291.483 2.512 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925540982 618899001 /nfs/dbraw/zinc/89/90/01/618899001.db2.gz GLSQEURRLMCOGP-QGZVFWFLSA-N 3 0 293.499 2.619 20 0 CFADRP Cc1noc(C)c1CCC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925540475 618899300 /nfs/dbraw/zinc/89/93/00/618899300.db2.gz GXWUDDCDLMSXTA-KBPBESRZSA-N 2 0 279.428 2.720 20 0 CFADRP C[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000925547160 618907628 /nfs/dbraw/zinc/90/76/28/618907628.db2.gz SXXNWHVIIUWYOH-OVYGPGRDSA-N 2 0 293.499 2.616 20 0 CFADRP C[C@H]([NH3+])[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000925550021 618911519 /nfs/dbraw/zinc/91/15/19/618911519.db2.gz KFEYNBCEOVHTQB-VYDXJSESSA-N 2 0 275.440 2.539 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CCCS1 ZINC000925550478 618911744 /nfs/dbraw/zinc/91/17/44/618911744.db2.gz AAPDTAWYSPEKJI-DYEKYZERSA-N 2 0 256.459 2.768 20 0 CFADRP COc1cccnc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925687987 618931315 /nfs/dbraw/zinc/93/13/15/618931315.db2.gz AWPTUMDVQUDRNI-OAHLLOKOSA-N 2 0 285.391 2.660 20 0 CFADRP COc1cccc([C@H]2C[C@H](N[C@H]3CC[NH2+]C3(C)C)C2)c1 ZINC000925690346 618934747 /nfs/dbraw/zinc/93/47/47/618934747.db2.gz UZYCRRABNLOSCF-DZKIICNBSA-N 2 0 274.408 2.671 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2F)C12CCC2 ZINC000925693820 618940133 /nfs/dbraw/zinc/94/01/33/618940133.db2.gz MTXSPJMAQTVIDZ-ATGSNQNLSA-N 2 0 260.356 2.541 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925694200 618940883 /nfs/dbraw/zinc/94/08/83/618940883.db2.gz REEXGWPNVLAOIP-CVEARBPZSA-N 2 0 275.440 2.540 20 0 CFADRP C[N@@H+]1C[C@@]2(C)CN(C[C@H]3CCC4(CCC4)CO3)C[C@@]2(C)C1 ZINC000931315935 618940913 /nfs/dbraw/zinc/94/09/13/618940913.db2.gz DQFXJHFAEJCHAU-ZACQAIPSSA-N 2 0 292.467 2.609 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925694202 618941056 /nfs/dbraw/zinc/94/10/56/618941056.db2.gz REEXGWPNVLAOIP-HOTGVXAUSA-N 2 0 275.440 2.540 20 0 CFADRP C[C@@H]([NH3+])[C@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000925697540 618950798 /nfs/dbraw/zinc/95/07/98/618950798.db2.gz GGOXIPPCWCCPRJ-IYOUNJFTSA-N 2 0 283.419 2.884 20 0 CFADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697324 618950917 /nfs/dbraw/zinc/95/09/17/618950917.db2.gz DMSYQLHSPHNROF-RCBQFDQVSA-N 3 0 275.440 2.702 20 0 CFADRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F)[NH2+]2 ZINC000925698003 618951279 /nfs/dbraw/zinc/95/12/79/618951279.db2.gz ZWILBNWNYKYCCL-OSOQYDHYSA-N 2 0 274.383 2.800 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000857066189 618952380 /nfs/dbraw/zinc/95/23/80/618952380.db2.gz YSPRLOPQLNJFDF-UTUOFQBUSA-N 2 0 279.255 2.890 20 0 CFADRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925701324 618954468 /nfs/dbraw/zinc/95/44/68/618954468.db2.gz XQAKXBNTBXDNKW-UOVPBQLFSA-N 3 0 293.499 2.509 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CC[C@H]2CCc3ccccc3N2)C12CCC2 ZINC000925702580 618955877 /nfs/dbraw/zinc/95/58/77/618955877.db2.gz ORQBPUUXWPEHMJ-DJIMGWMZSA-N 2 0 285.435 2.663 20 0 CFADRP ClC1(Cl)C[C@@H]1CCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925703030 618956766 /nfs/dbraw/zinc/95/67/66/618956766.db2.gz RZRRFWSWKZNAJT-RJRAAQABSA-N 2 0 289.250 2.546 20 0 CFADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000925703865 618957854 /nfs/dbraw/zinc/95/78/54/618957854.db2.gz VQRVNILLWLULSM-ZJUUUORDSA-N 2 0 265.228 2.691 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925706801 618961029 /nfs/dbraw/zinc/96/10/29/618961029.db2.gz KNDHNICNYPOXNV-LSDHHAIUSA-N 2 0 261.413 2.573 20 0 CFADRP C[C@@H]([NH3+])[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccccc1 ZINC000925708324 618962703 /nfs/dbraw/zinc/96/27/03/618962703.db2.gz KUXBPIQFKHDSMO-XOUADPBQSA-N 2 0 262.397 2.622 20 0 CFADRP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925713855 618967980 /nfs/dbraw/zinc/96/79/80/618967980.db2.gz VHCWNMNUCIUCLV-XUWVNRHRSA-N 2 0 256.393 2.710 20 0 CFADRP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)CC(F)F ZINC000925713859 618968074 /nfs/dbraw/zinc/96/80/74/618968074.db2.gz VHRVWWZDFRRJLI-VCDKRKBESA-N 2 0 260.372 2.644 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2)C1CCCCC1 ZINC000925715275 618971716 /nfs/dbraw/zinc/97/17/16/618971716.db2.gz FRCTXQRZISNVSG-USACIQFYSA-N 2 0 280.456 2.545 20 0 CFADRP C(C[C@@H]1CCCOC1)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925720782 618978318 /nfs/dbraw/zinc/97/83/18/618978318.db2.gz JEESRQHIDCSUTL-XIRDDKMYSA-N 2 0 280.456 2.561 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000925722096 618984031 /nfs/dbraw/zinc/98/40/31/618984031.db2.gz SVABNBQLYOAXRR-IDSCEKSVSA-N 2 0 277.239 2.676 20 0 CFADRP CC1(C)[C@H]([NH2+]CC[C@H]2CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925722251 618984255 /nfs/dbraw/zinc/98/42/55/618984255.db2.gz KEPYIKDYQLSAHZ-YIYPIFLZSA-N 2 0 268.470 2.638 20 0 CFADRP Cc1ccccc1CCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000257643240 618984648 /nfs/dbraw/zinc/98/46/48/618984648.db2.gz BKVIHRDRCHRYBU-QGZVFWFLSA-N 2 0 258.409 2.756 20 0 CFADRP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCSC2)C[C@@H]([NH3+])C1 ZINC000925724986 619003568 /nfs/dbraw/zinc/00/35/68/619003568.db2.gz OWWNDEPMBHOXEW-XQQFMLRXSA-N 2 0 256.459 2.625 20 0 CFADRP C[C@@H]1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1 ZINC000893494980 619019906 /nfs/dbraw/zinc/01/99/06/619019906.db2.gz UBZJKTPDUXNWDV-GDBMZVCRSA-N 2 0 250.430 2.840 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H]2CCCC[C@H]21 ZINC000893496426 619020875 /nfs/dbraw/zinc/02/08/75/619020875.db2.gz BJZUOLCGMROJEC-VNQPRFMTSA-N 2 0 250.430 2.839 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000925738032 619048050 /nfs/dbraw/zinc/04/80/50/619048050.db2.gz MDCZWMCNFLAYAF-UKRRQHHQSA-N 2 0 261.413 2.825 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C12CCCCC2 ZINC000925741769 619051609 /nfs/dbraw/zinc/05/16/09/619051609.db2.gz MSZKCBQBMCLZAH-KGLIPLIRSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000094088920 619078249 /nfs/dbraw/zinc/07/82/49/619078249.db2.gz JYJVOBSIHCKSAL-VCANKDNSSA-N 2 0 250.361 2.616 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000258823439 619084438 /nfs/dbraw/zinc/08/44/38/619084438.db2.gz FKYREOICJJQQJS-UHFFFAOYSA-N 2 0 256.777 2.566 20 0 CFADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1Br ZINC000258836150 619085213 /nfs/dbraw/zinc/08/52/13/619085213.db2.gz DLGBBILXSGYEGX-ZIAGYGMSSA-N 2 0 297.240 2.851 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000925776914 619098293 /nfs/dbraw/zinc/09/82/93/619098293.db2.gz AXKMVIUYQHPDEN-DZGCQCFKSA-N 2 0 280.362 2.898 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC)cc1 ZINC000925780446 619102099 /nfs/dbraw/zinc/10/20/99/619102099.db2.gz SMXPHZFEMYKALK-DZGCQCFKSA-N 2 0 298.377 2.981 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000893620134 619103641 /nfs/dbraw/zinc/10/36/41/619103641.db2.gz GRNWKVNNIRGFBF-QZTJIDSGSA-N 2 0 288.435 2.838 20 0 CFADRP CC(C)n1cc2c(n1)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCC2 ZINC000893620411 619103915 /nfs/dbraw/zinc/10/39/15/619103915.db2.gz BDSQIKHGCVJJND-MRXNPFEDSA-N 2 0 290.455 2.773 20 0 CFADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925787212 619112368 /nfs/dbraw/zinc/11/23/68/619112368.db2.gz XOEZPDHQBHZDOY-IGCXYCKISA-N 2 0 288.435 2.863 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)C1CCC(F)(F)CC1 ZINC000925786789 619112441 /nfs/dbraw/zinc/11/24/41/619112441.db2.gz UYYQWNBVHMAFKQ-WZRBSPASSA-N 2 0 260.372 2.646 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000925791846 619116948 /nfs/dbraw/zinc/11/69/48/619116948.db2.gz SPZIWJOWXDNFGP-KCXAZCMYSA-N 2 0 274.408 2.518 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Cl)s1 ZINC000925792869 619117754 /nfs/dbraw/zinc/11/77/54/619117754.db2.gz WWNCQIIZFDMIEK-UTLUCORTSA-N 2 0 258.818 2.908 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(C)o1 ZINC000925797017 619119073 /nfs/dbraw/zinc/11/90/73/619119073.db2.gz MTXKPLYQPDNGPX-SCDSUCTJSA-N 2 0 250.386 2.793 20 0 CFADRP CC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)cc1 ZINC000925797960 619119951 /nfs/dbraw/zinc/11/99/51/619119951.db2.gz IUBQFTWAMYIJLN-FRFSOERESA-N 2 0 276.424 2.982 20 0 CFADRP COc1ccsc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925802438 619122743 /nfs/dbraw/zinc/12/27/43/619122743.db2.gz GVVWBQIYZIYVDE-IJLUTSLNSA-N 2 0 268.426 2.653 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000925802787 619123189 /nfs/dbraw/zinc/12/31/89/619123189.db2.gz IWBYCILQYGUOLQ-KYHPRHEASA-N 2 0 287.451 2.943 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000925802900 619123241 /nfs/dbraw/zinc/12/32/41/619123241.db2.gz SWARBLOQSHSFNF-OLMTUDMXSA-N 2 0 268.470 2.910 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCCC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000925809774 619128710 /nfs/dbraw/zinc/12/87/10/619128710.db2.gz WNWUIYQJBUMQHR-DOTOQJQBSA-N 3 0 281.488 2.619 20 0 CFADRP Cn1cnc2cc(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc21 ZINC000925811746 619130122 /nfs/dbraw/zinc/13/01/22/619130122.db2.gz JSROBBLFRPKRNP-UONOGXRCSA-N 2 0 286.423 2.569 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000925821234 619141511 /nfs/dbraw/zinc/14/15/11/619141511.db2.gz FXDZAXMTRZVZQS-GHLIILROSA-N 2 0 258.409 2.579 20 0 CFADRP C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000925822859 619143698 /nfs/dbraw/zinc/14/36/98/619143698.db2.gz ORRXJODYZPSJPO-DUVNUKRYSA-N 2 0 259.397 2.510 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925823526 619143953 /nfs/dbraw/zinc/14/39/53/619143953.db2.gz OFDAACQUMJKGGS-GYXIZQIFSA-N 3 0 279.472 2.514 20 0 CFADRP C[C@@H](COCC1CCCCC1)[NH2+]C1CCC([NH3+])CC1 ZINC000925825810 619148845 /nfs/dbraw/zinc/14/88/45/619148845.db2.gz HZABFHIIJCJHKU-JEYLPNPQSA-N 2 0 268.445 2.831 20 0 CFADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893686086 619156865 /nfs/dbraw/zinc/15/68/65/619156865.db2.gz WFVRKTYUQLYWIP-LDBYLJPUSA-N 2 0 280.456 2.795 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)[C@]12CCC[C@H]1OCC2 ZINC000925830021 619160739 /nfs/dbraw/zinc/16/07/39/619160739.db2.gz DXWWTMYXUWTRES-XMTFNYHQSA-N 2 0 292.467 2.704 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)c2ccccc21 ZINC000925829521 619160810 /nfs/dbraw/zinc/16/08/10/619160810.db2.gz CJXQGYKVNBVWDZ-MWDXBVQZSA-N 2 0 272.392 2.680 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(F)c2)CCC1 ZINC000925830220 619161135 /nfs/dbraw/zinc/16/11/35/619161135.db2.gz GGSWKGRJYOPADM-LSDHHAIUSA-N 2 0 262.372 2.717 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925830910 619162221 /nfs/dbraw/zinc/16/22/21/619162221.db2.gz GPMONUQZGMKGEU-CABNGKKXSA-N 2 0 286.341 2.733 20 0 CFADRP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccncc1 ZINC000925837854 619169097 /nfs/dbraw/zinc/16/90/97/619169097.db2.gz IKMRHIMYVZIYSW-BZUAXINKSA-N 2 0 259.397 2.655 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCc3ccccc32)c2ccccc21 ZINC000925838339 619170439 /nfs/dbraw/zinc/17/04/39/619170439.db2.gz WJVLCVYOUUZYPW-ROUUACIJSA-N 2 0 293.414 2.784 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000261560928 619170667 /nfs/dbraw/zinc/17/06/67/619170667.db2.gz AJGIYFVUZHOZCU-SECBINFHSA-N 2 0 258.818 2.961 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000261574805 619172105 /nfs/dbraw/zinc/17/21/05/619172105.db2.gz XZMKLRJVXWLWCO-UKRRQHHQSA-N 2 0 262.397 2.515 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261591485 619173859 /nfs/dbraw/zinc/17/38/59/619173859.db2.gz LXUPHJOAIZQFRY-IRXDYDNUSA-N 2 0 256.393 2.749 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000261596726 619174327 /nfs/dbraw/zinc/17/43/27/619174327.db2.gz PEWPCFHARNYQHJ-UHFFFAOYSA-N 2 0 269.392 2.666 20 0 CFADRP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)C1CCCC1 ZINC000925842709 619175707 /nfs/dbraw/zinc/17/57/07/619175707.db2.gz BOYAVHBEERSRCB-QGZVFWFLSA-N 2 0 281.488 2.620 20 0 CFADRP C(CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1)CCN1CC[NH2+]CC1 ZINC000925842805 619175773 /nfs/dbraw/zinc/17/57/73/619175773.db2.gz BDAMTWHUZCASHT-ZWKOTPCHSA-N 2 0 293.499 2.620 20 0 CFADRP CC1(C)CCCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843580 619176131 /nfs/dbraw/zinc/17/61/31/619176131.db2.gz FNXMGMVAGMDRRF-MRXNPFEDSA-N 2 0 281.488 2.620 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925862279 619188597 /nfs/dbraw/zinc/18/85/97/619188597.db2.gz ZMUMFRMADHEMJO-UPJWGTAASA-N 2 0 254.443 2.535 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000925874396 619195221 /nfs/dbraw/zinc/19/52/21/619195221.db2.gz JHSQIPBYKQVADV-HUUCEWRRSA-N 2 0 274.408 2.617 20 0 CFADRP Cc1cc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000925875818 619196423 /nfs/dbraw/zinc/19/64/23/619196423.db2.gz WPBQSQBTGUSEKX-FRRDWIJNSA-N 2 0 280.362 2.751 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000925876261 619196469 /nfs/dbraw/zinc/19/64/69/619196469.db2.gz SAHDTOJPUGZMIG-BJJXKVORSA-N 2 0 276.449 2.734 20 0 CFADRP CC(C)C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccn1 ZINC000925876255 619196575 /nfs/dbraw/zinc/19/65/75/619196575.db2.gz RYWXUZRRSVJAOC-IJEWVQPXSA-N 2 0 261.413 2.886 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925877731 619197161 /nfs/dbraw/zinc/19/71/61/619197161.db2.gz VZYMGSRFKZHDLD-HACGYAERSA-N 2 0 274.408 2.790 20 0 CFADRP COCc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000925876733 619197423 /nfs/dbraw/zinc/19/74/23/619197423.db2.gz GSROFVQQFLYABZ-ZENOOKHLSA-N 2 0 292.423 2.620 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000925881684 619202040 /nfs/dbraw/zinc/20/20/40/619202040.db2.gz DMQQTRSGBYJAKQ-ZNMIVQPWSA-N 2 0 282.378 2.970 20 0 CFADRP CC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nccn1C ZINC000925886173 619204327 /nfs/dbraw/zinc/20/43/27/619204327.db2.gz COOFTLCMLDHKEM-XYJFISCASA-N 2 0 298.434 2.520 20 0 CFADRP CCc1onc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925888361 619205254 /nfs/dbraw/zinc/20/52/54/619205254.db2.gz BNVSCPHSOMPKEI-NWDGAFQWSA-N 2 0 265.401 2.541 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245985757 619221501 /nfs/dbraw/zinc/22/15/01/619221501.db2.gz PZWFMJIRDLADTM-ZIAGYGMSSA-N 2 0 278.444 2.881 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(O)c(F)c2)CC1 ZINC000893855153 619229035 /nfs/dbraw/zinc/22/90/35/619229035.db2.gz FCYIVUJDLHITEG-UHFFFAOYSA-N 2 0 278.371 2.592 20 0 CFADRP CCOc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000893860304 619230222 /nfs/dbraw/zinc/23/02/22/619230222.db2.gz ZRNLEGNPFDZGDT-UHFFFAOYSA-N 2 0 278.396 2.739 20 0 CFADRP CC(C)[C@H](CC(F)(F)F)[NH2+]CC1CC[NH+](C)CC1 ZINC000893896166 619241509 /nfs/dbraw/zinc/24/15/09/619241509.db2.gz VOEWGDKARAIVQI-LBPRGKRZSA-N 2 0 266.351 2.895 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000261821200 619282927 /nfs/dbraw/zinc/28/29/27/619282927.db2.gz IIOWOHJQFCPTCM-NSHDSACASA-N 2 0 272.314 2.794 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000924930008 619286564 /nfs/dbraw/zinc/28/65/64/619286564.db2.gz GGNQYWDDRMCUGO-CQSZACIVSA-N 2 0 279.428 2.950 20 0 CFADRP C[NH+]1CCC(C[NH2+]CC(C)(C)C(F)(F)F)CC1 ZINC000894263408 619292916 /nfs/dbraw/zinc/29/29/16/619292916.db2.gz HDOYSENUOHXZTQ-UHFFFAOYSA-N 2 0 252.324 2.506 20 0 CFADRP CC(C)CC[NH+]1CCC(NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000924966120 619308553 /nfs/dbraw/zinc/30/85/53/619308553.db2.gz CUHHXRBBADDQLF-HNNXBMFYSA-N 2 0 281.488 2.569 20 0 CFADRP Fc1cc2cccnc2c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261922292 619317650 /nfs/dbraw/zinc/31/76/50/619317650.db2.gz BSUJJCFLHZFDPC-UHFFFAOYSA-N 2 0 299.393 2.949 20 0 CFADRP c1ccc2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000261960220 619354551 /nfs/dbraw/zinc/35/45/51/619354551.db2.gz HEBQKELDDFYZAA-UHFFFAOYSA-N 2 0 281.403 2.810 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000261991635 619359874 /nfs/dbraw/zinc/35/98/74/619359874.db2.gz KHSGLDGDNBDPCT-CZUORRHYSA-N 2 0 262.372 2.615 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([NH3+])CC1 ZINC000262004998 619366539 /nfs/dbraw/zinc/36/65/39/619366539.db2.gz ULLARGXTXKYOAD-UHFFFAOYSA-N 2 0 272.314 2.937 20 0 CFADRP CC(C)c1cnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262016469 619373288 /nfs/dbraw/zinc/37/32/88/619373288.db2.gz MTEXWLMREAJTPI-UHFFFAOYSA-N 2 0 279.453 2.842 20 0 CFADRP C[NH+]1CCC(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)CC1 ZINC000894457097 619390057 /nfs/dbraw/zinc/39/00/57/619390057.db2.gz XPVDTOBIAWOAMX-UHFFFAOYSA-N 2 0 288.435 2.946 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC3(C2)COC(C)(C)C3)C1 ZINC000894454875 619390943 /nfs/dbraw/zinc/39/09/43/619390943.db2.gz BFMHGKINLOHHSX-UQPPLGOBSA-N 2 0 280.456 2.654 20 0 CFADRP CCCSC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000894455441 619390981 /nfs/dbraw/zinc/39/09/81/619390981.db2.gz KJEIKEHFVCGCDX-UONOGXRCSA-N 2 0 258.475 2.838 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2nccc3c2CCCC3)C1 ZINC000894497268 619400815 /nfs/dbraw/zinc/40/08/15/619400815.db2.gz WNCHMGFDNJNLIM-APWZRJJASA-N 2 0 299.462 2.877 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)c1 ZINC000894496396 619403173 /nfs/dbraw/zinc/40/31/73/619403173.db2.gz PSWGTXZSRVSDBA-FUHWJXTLSA-N 2 0 288.435 2.920 20 0 CFADRP CCC[N@H+](CCC[NH+](C)C)Cc1cccc2c1CCOC2 ZINC000894776635 619462628 /nfs/dbraw/zinc/46/26/28/619462628.db2.gz IZTLSHUAZIPZMY-UHFFFAOYSA-N 2 0 290.451 2.923 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3c2NCCC3)C1 ZINC000894780939 619466067 /nfs/dbraw/zinc/46/60/67/619466067.db2.gz AUIRBLRSQQKIAY-AEFFLSMTSA-N 2 0 299.462 2.961 20 0 CFADRP C[N@H+](CCCC[NH2+]C[C@H]1C[C@]1(C)Br)C1CC1 ZINC000894807318 619471314 /nfs/dbraw/zinc/47/13/14/619471314.db2.gz SEHMUTFGZCZHEG-YPMHNXCESA-N 2 0 289.261 2.624 20 0 CFADRP C[C@]1(Br)C[C@@H]1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000894847896 619481638 /nfs/dbraw/zinc/48/16/38/619481638.db2.gz JDYLWFRVAPBBOL-YPMHNXCESA-N 2 0 294.196 2.597 20 0 CFADRP CCCSC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894860582 619487495 /nfs/dbraw/zinc/48/74/95/619487495.db2.gz FCUAPZCJDPMMNZ-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP Cc1nc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)sc1C ZINC000894861042 619487499 /nfs/dbraw/zinc/48/74/99/619487499.db2.gz OBCDWTBWPPZNAI-ZDUSSCGKSA-N 2 0 267.442 2.581 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000894861932 619488019 /nfs/dbraw/zinc/48/80/19/619488019.db2.gz ZABCJOLKHBRLDZ-AWEZNQCLSA-N 2 0 282.378 2.829 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000895009104 619524996 /nfs/dbraw/zinc/52/49/96/619524996.db2.gz QSDQINSUEOLPOR-CVEARBPZSA-N 2 0 262.372 2.555 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000895009107 619525057 /nfs/dbraw/zinc/52/50/57/619525057.db2.gz QSDQINSUEOLPOR-JKSUJKDBSA-N 2 0 262.372 2.555 20 0 CFADRP CN(C)c1ccnc(CNc2nc3ccc(F)cc3n2C)c1 ZINC000895471703 619539620 /nfs/dbraw/zinc/53/96/20/619539620.db2.gz XGPRSVFOXOOTQF-UHFFFAOYSA-N 2 0 299.353 2.786 20 0 CFADRP COc1ccccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895558576 619555215 /nfs/dbraw/zinc/55/52/15/619555215.db2.gz YCMSSGRMBFDTIG-OAHLLOKOSA-N 2 0 297.402 2.801 20 0 CFADRP CSC1(C[NH+]2CCC(C)([NH+]3CCC3)CC2)CCC1 ZINC000895671016 619582688 /nfs/dbraw/zinc/58/26/88/619582688.db2.gz LVVNHTAZBMNNOM-UHFFFAOYSA-N 2 0 268.470 2.832 20 0 CFADRP CC[C@H](C)[C@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)OC ZINC000895671784 619582703 /nfs/dbraw/zinc/58/27/03/619582703.db2.gz OPBPKEMYMLYZKV-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccc(Cl)nn1 ZINC000895682138 619585252 /nfs/dbraw/zinc/58/52/52/619585252.db2.gz BJWBMHDTUKPLCH-UHFFFAOYSA-N 2 0 296.846 2.828 20 0 CFADRP C[N@H+](CCCC[NH+]1CCCCC1)CC1=CCCOC1 ZINC000895684179 619585717 /nfs/dbraw/zinc/58/57/17/619585717.db2.gz ASNVIFYBQGAUDF-UHFFFAOYSA-N 2 0 266.429 2.531 20 0 CFADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)CC1 ZINC000895840700 619616405 /nfs/dbraw/zinc/61/64/05/619616405.db2.gz VWIYRQRKJNZLPJ-SFHVURJKSA-N 2 0 293.499 2.715 20 0 CFADRP Cc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1C ZINC000895845404 619617906 /nfs/dbraw/zinc/61/79/06/619617906.db2.gz VQDMPXDQCLVHCK-ZWKOTPCHSA-N 2 0 272.436 2.872 20 0 CFADRP C[NH+]1CCC(C[NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000895854353 619623391 /nfs/dbraw/zinc/62/33/91/619623391.db2.gz UQUKZWAVPWDOFM-HNNXBMFYSA-N 2 0 268.351 2.768 20 0 CFADRP Cc1csc([C@H]2CC[N@@H+](CC3CC[NH+](C)CC3)C2)n1 ZINC000895938511 619640367 /nfs/dbraw/zinc/64/03/67/619640367.db2.gz HHUFZSTVJWPTNK-AWEZNQCLSA-N 2 0 279.453 2.583 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(CC3CC3)CC2)[C@@H](C)C1 ZINC000883252632 619660170 /nfs/dbraw/zinc/66/01/70/619660170.db2.gz QMWXLLRYXLDVPT-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP Cc1cc(NC2CCC(C)([NH+]3CCC3)CC2)cc[nH+]1 ZINC000896256284 619703706 /nfs/dbraw/zinc/70/37/06/619703706.db2.gz VOAPVYRRTHHPCY-UHFFFAOYSA-N 2 0 259.397 2.631 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCS1 ZINC000896951927 619903608 /nfs/dbraw/zinc/90/36/08/619903608.db2.gz MUJCPHPJPDXOKB-DZGCQCFKSA-N 2 0 291.464 2.924 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000925140607 619938639 /nfs/dbraw/zinc/93/86/39/619938639.db2.gz JZQACMLQXGOYKA-NVXWUHKLSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@H](CC[NH2+][C@H](C)C(C)(C)CO)[N@H+](C)Cc1ccccc1 ZINC000925209868 620024421 /nfs/dbraw/zinc/02/44/21/620024421.db2.gz UKTDRBZUJCZISL-HZPDHXFCSA-N 2 0 292.467 2.894 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)C(C)(C)C ZINC000925242185 620063451 /nfs/dbraw/zinc/06/34/51/620063451.db2.gz XIUQVTBCHJLJJZ-HUUCEWRRSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C2CCOCC2)CC1(C)C ZINC000897442562 620172429 /nfs/dbraw/zinc/17/24/29/620172429.db2.gz YAOBGLVMDCATCR-OAHLLOKOSA-N 2 0 282.472 2.902 20 0 CFADRP CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925283104 620186535 /nfs/dbraw/zinc/18/65/35/620186535.db2.gz RIBZNIXWDAXBKG-XJKSGUPXSA-N 2 0 264.413 2.560 20 0 CFADRP CC[C@](O)(CCC(F)(F)F)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897518319 620201698 /nfs/dbraw/zinc/20/16/98/620201698.db2.gz FZWJZYGPAJNXPV-UPJWGTAASA-N 2 0 296.377 2.542 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CCc2ccccc2F)CC[NH2+]1 ZINC000841007970 620215435 /nfs/dbraw/zinc/21/54/35/620215435.db2.gz LQAIXFUJTIXZFV-KGLIPLIRSA-N 2 0 264.388 2.688 20 0 CFADRP CC(C)[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000925304045 620239305 /nfs/dbraw/zinc/23/93/05/620239305.db2.gz QAKCAPLMEDLAGI-CVEARBPZSA-N 2 0 268.445 2.510 20 0 CFADRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000841032121 620258321 /nfs/dbraw/zinc/25/83/21/620258321.db2.gz MCTRDEVSVGGZAR-UHFFFAOYSA-N 2 0 276.330 2.756 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CC(CCO)C3)CC2)C1 ZINC000898011366 620316722 /nfs/dbraw/zinc/31/67/22/620316722.db2.gz QBFCOCWSBKMMKA-VSVYTNTFSA-N 2 0 294.483 2.780 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017467 620323672 /nfs/dbraw/zinc/32/36/72/620323672.db2.gz NHKUBMSACHGVOJ-MBNYWOFBSA-N 2 0 272.383 2.884 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898204441 620344763 /nfs/dbraw/zinc/34/47/63/620344763.db2.gz UPNHDSZUIASBQV-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCS2)[C@H](C)C1 ZINC000866478397 620408249 /nfs/dbraw/zinc/40/82/49/620408249.db2.gz ICMUAPVSUCMISY-MCIONIFRSA-N 2 0 256.459 2.592 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000926946246 620429491 /nfs/dbraw/zinc/42/94/91/620429491.db2.gz ANMSKRVKLGCTOP-IEECTRCBSA-N 2 0 276.346 2.647 20 0 CFADRP Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(C)c1OC(F)F ZINC000841064968 620434221 /nfs/dbraw/zinc/43/42/21/620434221.db2.gz XJWBVKCUXDBHTO-OCCSQVGLSA-N 2 0 298.377 2.992 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924685714 620440456 /nfs/dbraw/zinc/44/04/56/620440456.db2.gz PPRKKAVQKZEFRL-MTSZKFMLSA-N 2 0 282.472 2.615 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)C1 ZINC000924685719 620440492 /nfs/dbraw/zinc/44/04/92/620440492.db2.gz PPRKKAVQKZEFRL-UYVKZUBASA-N 2 0 282.472 2.615 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(Br)cs1 ZINC000873258596 620441567 /nfs/dbraw/zinc/44/15/67/620441567.db2.gz SELBQRKDBKNCHN-NQMVMOMDSA-N 2 0 289.242 2.899 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ncco1 ZINC000927035484 620444725 /nfs/dbraw/zinc/44/47/25/620444725.db2.gz AIEKDKMXQVVYBE-DNOWBOINSA-N 2 0 263.385 2.732 20 0 CFADRP C[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000924717463 620452439 /nfs/dbraw/zinc/45/24/39/620452439.db2.gz VCVYUIWVJJMWBC-OIISXLGYSA-N 2 0 280.456 2.513 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927129983 620461270 /nfs/dbraw/zinc/46/12/70/620461270.db2.gz QUMFIFYOMMBEDH-VNQPRFMTSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCOc2cccc(F)c2)CC[N@@H+]1C ZINC000898444750 620466221 /nfs/dbraw/zinc/46/62/21/620466221.db2.gz LOXDMRPBANHFKE-UKRRQHHQSA-N 2 0 280.387 2.667 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000924736385 620484765 /nfs/dbraw/zinc/48/47/65/620484765.db2.gz XLLLRWZXPONELK-FGTMMUONSA-N 2 0 288.435 2.635 20 0 CFADRP C[C@@H]1CCC[C@@](C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)(N(C)C)C1 ZINC000924737076 620486647 /nfs/dbraw/zinc/48/66/47/620486647.db2.gz DNOGUVLBEIITQA-UHDSXZAQSA-N 2 0 282.472 2.758 20 0 CFADRP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cnc(C[NH3+])nc2)cc1 ZINC000899323959 620543821 /nfs/dbraw/zinc/54/38/21/620543821.db2.gz KRDXZIWZSAFYTF-QGZVFWFLSA-N 2 0 296.418 2.977 20 0 CFADRP [NH3+]Cc1ccc(-c2ccc3c(c2)CC[C@@H]([NH3+])C3)s1 ZINC000899323951 620543980 /nfs/dbraw/zinc/54/39/80/620543980.db2.gz WDESYSXCGOELOI-CYBMUJFWSA-N 2 0 258.390 2.690 20 0 CFADRP [NH3+]C1(c2noc([C@@H]3[NH2+]CC[C@H]4CCCC[C@@H]43)n2)CCCC1 ZINC000900005432 620621646 /nfs/dbraw/zinc/62/16/46/620621646.db2.gz JDDYGXLEGJCTBV-FRRDWIJNSA-N 2 0 290.411 2.638 20 0 CFADRP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000251490243 620624615 /nfs/dbraw/zinc/62/46/15/620624615.db2.gz CYUWEQLWJWRWMX-OWCLPIDISA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000902318904 621023210 /nfs/dbraw/zinc/02/32/10/621023210.db2.gz IXECHLYYUBFREI-HNNXBMFYSA-N 2 0 264.388 2.736 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902321306 621024189 /nfs/dbraw/zinc/02/41/89/621024189.db2.gz UETKIILNKCLELO-HNNXBMFYSA-N 2 0 276.424 2.606 20 0 CFADRP [NH3+]CCCC[C@H]([NH2+]C1CCOCC1)c1ccc(F)cc1F ZINC000902316181 621030803 /nfs/dbraw/zinc/03/08/03/621030803.db2.gz AUAULLKZCDRZTL-INIZCTEOSA-N 2 0 298.377 2.904 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902316838 621031473 /nfs/dbraw/zinc/03/14/73/621031473.db2.gz DCOHHFZCMJRXKR-AWEZNQCLSA-N 2 0 294.414 2.745 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902346739 621034220 /nfs/dbraw/zinc/03/42/20/621034220.db2.gz PMTYTVKCYIIALX-IAGOWNOFSA-N 3 0 295.515 2.866 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902329694 621038448 /nfs/dbraw/zinc/03/84/48/621038448.db2.gz SLVBJFSOAMTKGX-HZPDHXFCSA-N 2 0 281.488 2.619 20 0 CFADRP CCO[C@@H](CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902335998 621041276 /nfs/dbraw/zinc/04/12/76/621041276.db2.gz VQDFDVNXOFMBEC-GJZGRUSLSA-N 2 0 270.461 2.805 20 0 CFADRP CS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902336645 621041776 /nfs/dbraw/zinc/04/17/76/621041776.db2.gz ZNGFOWROPWGSNK-YNEHKIRRSA-N 2 0 256.459 2.638 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CCO[C@H]1C1CC1 ZINC000902373218 621044964 /nfs/dbraw/zinc/04/49/64/621044964.db2.gz BGQVOVKTCSDBMW-ZOBUZTSGSA-N 2 0 280.456 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC[C@H]2CCCCO2)C1 ZINC000902373827 621045515 /nfs/dbraw/zinc/04/55/15/621045515.db2.gz FYQXPYBIGLLJKI-HUUCEWRRSA-N 2 0 268.445 2.704 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](CCO)C2CCCCC2)C1 ZINC000902358538 621051704 /nfs/dbraw/zinc/05/17/04/621051704.db2.gz CJIWJJMXSAKQNT-HZPDHXFCSA-N 2 0 282.472 2.686 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902360621 621053262 /nfs/dbraw/zinc/05/32/62/621053262.db2.gz IAGFCJSUUZYJPL-DLBZAZTESA-N 3 0 295.515 2.722 20 0 CFADRP C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362881 621053696 /nfs/dbraw/zinc/05/36/96/621053696.db2.gz SVASNEORBRGFPG-DJIMGWMZSA-N 2 0 290.451 2.519 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](CO)CC2CCCC2)C1 ZINC000902381079 621058252 /nfs/dbraw/zinc/05/82/52/621058252.db2.gz CPXFEZUYEQJLNF-CVEARBPZSA-N 2 0 282.472 2.543 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](CO)CC2CCCC2)C1 ZINC000902381082 621058567 /nfs/dbraw/zinc/05/85/67/621058567.db2.gz CPXFEZUYEQJLNF-HZPDHXFCSA-N 2 0 282.472 2.543 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCc2ccco2)C1 ZINC000902394732 621064439 /nfs/dbraw/zinc/06/44/39/621064439.db2.gz BOPOLPARRHRMEE-ZDUSSCGKSA-N 2 0 250.386 2.580 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cc1C ZINC000902402402 621068284 /nfs/dbraw/zinc/06/82/84/621068284.db2.gz CWUZBTZJPVXRTO-YNEHKIRRSA-N 2 0 250.386 2.780 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1ccc2c(c1)CCO2 ZINC000902403427 621068774 /nfs/dbraw/zinc/06/87/74/621068774.db2.gz GUUBTUDKAZVULR-RLCCDNCMSA-N 2 0 272.392 2.542 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)[C@@H]1CCCC[NH2+]1 ZINC000902429363 621076078 /nfs/dbraw/zinc/07/60/78/621076078.db2.gz JWXYYKAGWKTUPC-KFWWJZLASA-N 2 0 268.445 2.702 20 0 CFADRP CC1(C)CC[C@H](CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])OC1 ZINC000902428969 621076090 /nfs/dbraw/zinc/07/60/90/621076090.db2.gz IQTOKTVAPOTXCY-ZNMIVQPWSA-N 2 0 268.445 2.689 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000902430164 621076702 /nfs/dbraw/zinc/07/67/02/621076702.db2.gz HGFXJNJRLPUQMR-HOTGVXAUSA-N 2 0 290.455 2.679 20 0 CFADRP C([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000902431773 621077465 /nfs/dbraw/zinc/07/74/65/621077465.db2.gz UNZSLWRVRBXFTA-XLAORIBOSA-N 2 0 292.467 2.702 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000902433868 621078664 /nfs/dbraw/zinc/07/86/64/621078664.db2.gz USYYZJUFFIQCNK-YESZJQIVSA-N 2 0 294.483 2.950 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000902433434 621078850 /nfs/dbraw/zinc/07/88/50/621078850.db2.gz USYYZJUFFIQCNK-GVDBMIGSSA-N 2 0 294.483 2.950 20 0 CFADRP COc1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CCC2 ZINC000902472873 621085589 /nfs/dbraw/zinc/08/55/89/621085589.db2.gz KCKKXVBGNGQBIH-ISWURRPUSA-N 2 0 272.392 2.555 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902475330 621086725 /nfs/dbraw/zinc/08/67/25/621086725.db2.gz IKBNPJPQJUXGRQ-YYIAUSFCSA-N 2 0 276.399 2.875 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000902453222 621093266 /nfs/dbraw/zinc/09/32/66/621093266.db2.gz NVSJEUIQOWGPFY-UBHSHLNASA-N 2 0 298.377 2.554 20 0 CFADRP CC1(C)CC[N@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000902455534 621094237 /nfs/dbraw/zinc/09/42/37/621094237.db2.gz KTMWFKAGZVJIMM-YESZJQIVSA-N 2 0 293.499 2.619 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902455841 621094337 /nfs/dbraw/zinc/09/43/37/621094337.db2.gz NFOOZQCJJXIHFZ-GVAFMPQTSA-N 2 0 259.397 2.688 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cncs1 ZINC000902458147 621094653 /nfs/dbraw/zinc/09/46/53/621094653.db2.gz UBCUDODCZMVABC-HBNTYKKESA-N 2 0 253.415 2.700 20 0 CFADRP FC1(F)CC[C@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000902457489 621094952 /nfs/dbraw/zinc/09/49/52/621094952.db2.gz SEMAIZDDWBAZPK-VXGBXAGGSA-N 2 0 258.356 2.686 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)O1 ZINC000902463004 621097533 /nfs/dbraw/zinc/09/75/33/621097533.db2.gz YRNWTICXDFFJRR-KLHDSHLOSA-N 2 0 280.456 2.844 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)C1 ZINC000902464858 621097899 /nfs/dbraw/zinc/09/78/99/621097899.db2.gz DHKHOLFCJKWPBJ-PFPDTZPXSA-N 2 0 291.483 2.512 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465218 621098715 /nfs/dbraw/zinc/09/87/15/621098715.db2.gz GHPCNIYFVAVECU-LMLFDSFASA-N 2 0 250.308 2.590 20 0 CFADRP Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902490733 621102103 /nfs/dbraw/zinc/10/21/03/621102103.db2.gz SNNMMZUWDLBIFS-QSPRXWTASA-N 2 0 258.409 2.958 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902489975 621102120 /nfs/dbraw/zinc/10/21/20/621102120.db2.gz QLROZJZDDMMADP-CENBSLRLSA-N 2 0 262.372 2.776 20 0 CFADRP Cc1cccc(C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C2CC2)c1 ZINC000902491368 621102788 /nfs/dbraw/zinc/10/27/88/621102788.db2.gz WEHCCQQPNVHHRV-XIRDDKMYSA-N 2 0 258.409 2.643 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000902504310 621106949 /nfs/dbraw/zinc/10/69/49/621106949.db2.gz NTEGFEYTZDBKFM-AXAPSJFSSA-N 2 0 259.397 2.854 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1F ZINC000902485562 621111459 /nfs/dbraw/zinc/11/14/59/621111459.db2.gz AMAZDDQPINIESZ-CKYFFXLPSA-N 2 0 268.401 2.936 20 0 CFADRP Cc1ccc(C[C@H]([NH2+][C@H]2C[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000902485588 621111502 /nfs/dbraw/zinc/11/15/02/621111502.db2.gz AZKITYZBMWIMFR-ULQDDVLXSA-N 2 0 260.425 2.889 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000902487838 621112684 /nfs/dbraw/zinc/11/26/84/621112684.db2.gz UXXDCNNQOJIRRD-CKEIUWERSA-N 2 0 296.418 2.577 20 0 CFADRP [NH3+]C[C@H]1C[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000902487527 621112707 /nfs/dbraw/zinc/11/27/07/621112707.db2.gz IJKHFHMQFXHLNQ-WFBYXXMGSA-N 2 0 295.224 2.763 20 0 CFADRP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CCn1ccnc1 ZINC000902724947 621158101 /nfs/dbraw/zinc/15/81/01/621158101.db2.gz MPTDBLOUFIZOKM-CXAGYDPISA-N 2 0 285.391 2.805 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902728355 621159334 /nfs/dbraw/zinc/15/93/34/621159334.db2.gz QWIWPULNSBQIKJ-UXJCHEOYSA-N 2 0 292.467 2.654 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902737455 621161842 /nfs/dbraw/zinc/16/18/42/621161842.db2.gz YPHHUGARVOWBIQ-QXDIGNSFSA-N 2 0 292.467 2.510 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1COc2ccccc2C1 ZINC000902780252 621172134 /nfs/dbraw/zinc/17/21/34/621172134.db2.gz GADUVHMZMJARKY-GDBMZVCRSA-N 2 0 276.424 2.558 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)C1 ZINC000902795236 621178887 /nfs/dbraw/zinc/17/88/87/621178887.db2.gz ASGYECHBOFHPMP-KBAYOESNSA-N 2 0 294.483 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(-n2ccnc2)c1 ZINC000902796315 621179546 /nfs/dbraw/zinc/17/95/46/621179546.db2.gz LRCBXLLTHRUDIU-HOTGVXAUSA-N 2 0 298.434 2.865 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902839663 621188483 /nfs/dbraw/zinc/18/84/83/621188483.db2.gz UJPVVXRTHNMBNK-QKPAOTATSA-N 2 0 268.445 2.512 20 0 CFADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902881373 621198695 /nfs/dbraw/zinc/19/86/95/621198695.db2.gz PDYHHUSXKYXKTO-WTNVTLLGSA-N 2 0 292.467 2.533 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1COc2ccccc2C1 ZINC000903042453 621232220 /nfs/dbraw/zinc/23/22/20/621232220.db2.gz CQYLEIWVCQROJZ-XJNFMUPTSA-N 2 0 288.435 2.556 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@H]1C ZINC000903067884 621239894 /nfs/dbraw/zinc/23/98/94/621239894.db2.gz XSRPHHTYLNAECH-VSZNYVQBSA-N 2 0 295.515 2.674 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000903080057 621245419 /nfs/dbraw/zinc/24/54/19/621245419.db2.gz IQWPANPNRAACCL-BBBYJDLNSA-N 2 0 276.428 2.640 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@H]1C ZINC000903090950 621248661 /nfs/dbraw/zinc/24/86/61/621248661.db2.gz JWSCVTZRBKCLMI-VSZNYVQBSA-N 2 0 295.515 2.674 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@H]1C ZINC000903090949 621248700 /nfs/dbraw/zinc/24/87/00/621248700.db2.gz JWSCVTZRBKCLMI-OWSLCNJRSA-N 2 0 295.515 2.674 20 0 CFADRP COC(C)(C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903102678 621253428 /nfs/dbraw/zinc/25/34/28/621253428.db2.gz AMDOGAFEHHTTOA-WYQXTGKHSA-N 2 0 280.456 2.937 20 0 CFADRP CO[C@@]1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903106316 621255475 /nfs/dbraw/zinc/25/54/75/621255475.db2.gz YJIGQGZUYRMLMT-XTLGAURHSA-N 2 0 292.467 2.937 20 0 CFADRP CO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1(C)C ZINC000903110332 621257224 /nfs/dbraw/zinc/25/72/24/621257224.db2.gz NQOXPTAVKKWOIW-HJGRSGLPSA-N 2 0 278.440 2.547 20 0 CFADRP Cc1cnccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903127994 621262427 /nfs/dbraw/zinc/26/24/27/621262427.db2.gz PRBRTFFNXCGDNX-ZNXRZULTSA-N 2 0 285.435 2.680 20 0 CFADRP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000903147077 621268392 /nfs/dbraw/zinc/26/83/92/621268392.db2.gz DQPKCJSWSHPMMX-YQFWSFKMSA-N 2 0 280.456 2.797 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@H]2CCOC23CCCC3)CCCC1 ZINC000903154805 621269421 /nfs/dbraw/zinc/26/94/21/621269421.db2.gz WYMRSOKTOWNFGV-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP CCOC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903157350 621269821 /nfs/dbraw/zinc/26/98/21/621269821.db2.gz DPILQQQVOUIYEF-XSYSFNKCSA-N 2 0 292.467 2.939 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2nccc3c2CCCC3)[C@H]2CCC[C@@H]21 ZINC000903182854 621277263 /nfs/dbraw/zinc/27/72/63/621277263.db2.gz WDKPZXYUSFUXPG-AOIWGVFYSA-N 2 0 299.462 2.923 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H](C)O1 ZINC000903185136 621278545 /nfs/dbraw/zinc/27/85/45/621278545.db2.gz HSWVGSWFMIHZGL-SYRQICGQSA-N 2 0 278.440 2.547 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccn2)C2CC2)C1 ZINC000903185190 621278585 /nfs/dbraw/zinc/27/85/85/621278585.db2.gz IJAOYLCTWQCQRT-PBHICJAKSA-N 2 0 273.424 2.854 20 0 CFADRP CC(C)C[N@H+](C)CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903194200 621281306 /nfs/dbraw/zinc/28/13/06/621281306.db2.gz KHNSUWBYKVKQLH-ZNXRZULTSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccn1 ZINC000903197447 621282249 /nfs/dbraw/zinc/28/22/49/621282249.db2.gz ZAWLVDFSKADCAE-YTTRVJOFSA-N 2 0 285.435 2.933 20 0 CFADRP C(CC1SCCS1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903202662 621284833 /nfs/dbraw/zinc/28/48/33/621284833.db2.gz DUKQDNXJVAVFGU-QXMXGUDHSA-N 2 0 298.521 2.930 20 0 CFADRP CC1(C)OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903204233 621285521 /nfs/dbraw/zinc/28/55/21/621285521.db2.gz RXYVYRMPQPFJQD-WYQXTGKHSA-N 2 0 278.440 2.549 20 0 CFADRP CC1(C)CO[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903216814 621291209 /nfs/dbraw/zinc/29/12/09/621291209.db2.gz IZHPNQVEVUZLOY-YPAMNDHTSA-N 2 0 278.440 2.549 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[C@H](C)C1 ZINC000903320063 621321472 /nfs/dbraw/zinc/32/14/72/621321472.db2.gz YWBDBPOQRNUUHD-RSJGLCBASA-N 2 0 294.483 2.902 20 0 CFADRP C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C[NH+](C)C)c1 ZINC000903408223 621363136 /nfs/dbraw/zinc/36/31/36/621363136.db2.gz RHCHNRITXLDQNJ-SUMWQHHRSA-N 2 0 276.424 2.560 20 0 CFADRP Cc1ncccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903419069 621367188 /nfs/dbraw/zinc/36/71/88/621367188.db2.gz RUKZOGPALWOSIF-ZNXRZULTSA-N 2 0 285.435 2.680 20 0 CFADRP CCSc1ccccc1CN1CCC[C@@H]1C[NH3+] ZINC000903425276 621370179 /nfs/dbraw/zinc/37/01/79/621370179.db2.gz ZDENNIIUMWWLAD-CYBMUJFWSA-N 2 0 250.411 2.722 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000903432855 621372580 /nfs/dbraw/zinc/37/25/80/621372580.db2.gz NNILBDANJFJPIX-WBVHZDCISA-N 2 0 294.483 2.903 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000903437353 621374771 /nfs/dbraw/zinc/37/47/71/621374771.db2.gz GQUUOBLFOQKMHD-VNQPRFMTSA-N 2 0 276.449 2.632 20 0 CFADRP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440148 621376821 /nfs/dbraw/zinc/37/68/21/621376821.db2.gz USKVEINCUKLVCY-FGTMMUONSA-N 2 0 290.451 2.633 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000903422380 621378395 /nfs/dbraw/zinc/37/83/95/621378395.db2.gz ASZGUPYUJKPNEV-GFCCVEGCSA-N 2 0 250.411 2.579 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000903423814 621378949 /nfs/dbraw/zinc/37/89/49/621378949.db2.gz ZRGACLWUVIGASH-HZPDHXFCSA-N 2 0 294.389 2.967 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1F ZINC000903423453 621379003 /nfs/dbraw/zinc/37/90/03/621379003.db2.gz VGZRUQNXWLIRSJ-NSHDSACASA-N 2 0 268.351 2.832 20 0 CFADRP CCSc1ccccc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000903422645 621379329 /nfs/dbraw/zinc/37/93/29/621379329.db2.gz HKSHSWSHJZKCFN-ZDUSSCGKSA-N 2 0 264.438 2.840 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000903458616 621379959 /nfs/dbraw/zinc/37/99/59/621379959.db2.gz FOZQBRBPXMVZPQ-BZPMIXESSA-N 2 0 250.361 2.912 20 0 CFADRP c1ccc(C[C@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000903458838 621380513 /nfs/dbraw/zinc/38/05/13/621380513.db2.gz LMHAVEDJRWTQDT-BRWVUGGUSA-N 2 0 258.409 2.739 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1C[NH3+] ZINC000903458812 621380798 /nfs/dbraw/zinc/38/07/98/621380798.db2.gz KHOXBQFFDKOHAV-WFASDCNBSA-N 2 0 257.381 2.585 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000903461192 621381196 /nfs/dbraw/zinc/38/11/96/621381196.db2.gz OXFZGFQTOBMLBU-MGPQQGTHSA-N 2 0 290.398 2.783 20 0 CFADRP CC[C@@](C)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1nc(C)cs1 ZINC000903444927 621384181 /nfs/dbraw/zinc/38/41/81/621384181.db2.gz FHIRRQYFHRXLLT-MBNYWOFBSA-N 2 0 267.442 2.794 20 0 CFADRP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)C[C@@H]21 ZINC000903451898 621386711 /nfs/dbraw/zinc/38/67/11/621386711.db2.gz FINKPHJIAQFAAE-CYUUQNCZSA-N 2 0 284.394 2.599 20 0 CFADRP c1cc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2[nH]1 ZINC000903453781 621387259 /nfs/dbraw/zinc/38/72/59/621387259.db2.gz LIIJYWBXVUECQM-QGZVFWFLSA-N 2 0 269.392 2.743 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000903453792 621387315 /nfs/dbraw/zinc/38/73/15/621387315.db2.gz LOLUEXILDOZKOD-QWHCGFSZSA-N 2 0 260.372 2.743 20 0 CFADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457102 621388788 /nfs/dbraw/zinc/38/87/88/621388788.db2.gz NOEGJWKVFRBZJB-ILXRZTDVSA-N 2 0 276.428 2.557 20 0 CFADRP C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)[C@H]1c1ccccc1 ZINC000903481845 621391858 /nfs/dbraw/zinc/39/18/58/621391858.db2.gz OEBQXIOLDFWWFW-HDEZJCGLSA-N 2 0 258.409 2.925 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498280 621394314 /nfs/dbraw/zinc/39/43/14/621394314.db2.gz BSFHDYXKGURASV-UKRRQHHQSA-N 2 0 275.440 2.930 20 0 CFADRP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000903566082 621396592 /nfs/dbraw/zinc/39/65/92/621396592.db2.gz ZLVMQIFHVMIYIC-HIFRSBDPSA-N 2 0 272.392 2.632 20 0 CFADRP COc1ccc(C[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1OC ZINC000903718465 621425349 /nfs/dbraw/zinc/42/53/49/621425349.db2.gz MXSPPPKKWNGVLJ-HNNXBMFYSA-N 2 0 292.423 2.525 20 0 CFADRP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719317 621425462 /nfs/dbraw/zinc/42/54/62/621425462.db2.gz YBRXLJXUUFOBDI-DOTOQJQBSA-N 2 0 288.435 2.838 20 0 CFADRP CC1CCC([N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)CC1 ZINC000903721509 621426008 /nfs/dbraw/zinc/42/60/08/621426008.db2.gz BMPFIESOTCCTEE-MUDYYLEHSA-N 2 0 292.467 2.798 20 0 CFADRP CCCCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C(C)C ZINC000903722854 621426878 /nfs/dbraw/zinc/42/68/78/621426878.db2.gz DVVANWABVJRYFO-HOTGVXAUSA-N 2 0 268.445 2.656 20 0 CFADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+](C1CC1)C1CCCCC1 ZINC000903723539 621426905 /nfs/dbraw/zinc/42/69/05/621426905.db2.gz ICORPKFKUXLSTB-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP CC(C)[N@@H+](Cc1cccs1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722649 621427073 /nfs/dbraw/zinc/42/70/73/621427073.db2.gz CHNDHFVHMIRFRG-GDBMZVCRSA-N 2 0 294.464 2.727 20 0 CFADRP CC(C)[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729011 621428629 /nfs/dbraw/zinc/42/86/29/621428629.db2.gz JECPQENEWAAALI-HZPDHXFCSA-N 2 0 280.456 2.656 20 0 CFADRP C[N@H+](C[C@H]1CCCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000903728674 621428694 /nfs/dbraw/zinc/42/86/94/621428694.db2.gz DRLQKIHMUQYBKG-YJBOKZPZSA-N 2 0 272.436 2.865 20 0 CFADRP CCCO[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903729952 621429586 /nfs/dbraw/zinc/42/95/86/621429586.db2.gz TUVGGMLMRGBMPV-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732241 621429999 /nfs/dbraw/zinc/42/99/99/621429999.db2.gz DNANKHATXQVWDH-TWMKSMIVSA-N 2 0 280.456 2.656 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903746640 621431888 /nfs/dbraw/zinc/43/18/88/621431888.db2.gz JBIPLHNEVRUYLE-ZDUSSCGKSA-N 2 0 250.361 2.717 20 0 CFADRP FCc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000903750097 621432308 /nfs/dbraw/zinc/43/23/08/621432308.db2.gz UQPKHDCDCIMBNT-WBVHZDCISA-N 2 0 276.399 2.978 20 0 CFADRP CCC[N@H+](C[C@@H]1CCCC[NH2+]C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000903733742 621433826 /nfs/dbraw/zinc/43/38/26/621433826.db2.gz MUZQGWNLGCVMQL-VQHPVUNQSA-N 2 0 294.483 2.902 20 0 CFADRP CCC[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903733735 621433832 /nfs/dbraw/zinc/43/38/32/621433832.db2.gz MUOHYKKNCNFMFD-HZPDHXFCSA-N 2 0 280.456 2.657 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903734395 621433850 /nfs/dbraw/zinc/43/38/50/621433850.db2.gz YWQDVWXUCAVSDF-GOSISDBHSA-N 2 0 295.515 2.820 20 0 CFADRP CC[C@@H]1CCCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903734680 621433943 /nfs/dbraw/zinc/43/39/43/621433943.db2.gz UVUJYDZGVQVLQT-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734645 621433990 /nfs/dbraw/zinc/43/39/90/621433990.db2.gz UICDEOHPTKVAQT-YVSFHVDLSA-N 2 0 280.456 2.656 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCC[NH2+]C2)C1(C)C ZINC000903735373 621434488 /nfs/dbraw/zinc/43/44/88/621434488.db2.gz ZEYULXADPYTAJG-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3CF)C[C@@H]21 ZINC000903744470 621435398 /nfs/dbraw/zinc/43/53/98/621435398.db2.gz SQBAEAKCGWQUKZ-OWCLPIDISA-N 2 0 262.372 2.715 20 0 CFADRP COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903759841 621436292 /nfs/dbraw/zinc/43/62/92/621436292.db2.gz RYDKPZLFOBNUNK-QZTJIDSGSA-N 2 0 290.451 2.566 20 0 CFADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764265 621436517 /nfs/dbraw/zinc/43/65/17/621436517.db2.gz QPYXCFQIJTVUKZ-YVSFHVDLSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCCC2(CCCC2)CC1 ZINC000903766616 621437154 /nfs/dbraw/zinc/43/71/54/621437154.db2.gz BBWFTCZHARYNBI-SJLPKXTDSA-N 2 0 292.467 2.801 20 0 CFADRP c1ccc(C23CC(C2)C[N@H+]3C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903765505 621437177 /nfs/dbraw/zinc/43/71/77/621437177.db2.gz IWEPUAJSJYURKZ-HJOIGYKYSA-N 2 0 270.420 2.997 20 0 CFADRP c1coc(C2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903768669 621438063 /nfs/dbraw/zinc/43/80/63/621438063.db2.gz OTNPSDYTMMCDDT-AWEZNQCLSA-N 2 0 262.397 2.849 20 0 CFADRP Cc1cc(C)cc(C[N@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903756185 621438660 /nfs/dbraw/zinc/43/86/60/621438660.db2.gz PNGHORAWCODIMZ-MSOLQXFVSA-N 2 0 288.435 2.504 20 0 CFADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903777373 621439918 /nfs/dbraw/zinc/43/99/18/621439918.db2.gz APSLKXMBDZMICS-KZNAEPCWSA-N 2 0 292.467 2.657 20 0 CFADRP Fc1cccc(O[C@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C2)c1 ZINC000903777700 621440056 /nfs/dbraw/zinc/44/00/56/621440056.db2.gz CKUWPLYGLBZONI-YOEHRIQHSA-N 2 0 292.398 2.669 20 0 CFADRP CCC1([NH+]2CCCC2)CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903776850 621440163 /nfs/dbraw/zinc/44/01/63/621440163.db2.gz WZSQHEAAFXDWOS-QGZVFWFLSA-N 2 0 293.499 2.717 20 0 CFADRP C([C@@H]1CCCC[NH2+]C1)[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000903784388 621441374 /nfs/dbraw/zinc/44/13/74/621441374.db2.gz NCUSMMBBPPMLFS-SJLPKXTDSA-N 2 0 294.483 2.905 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000903783544 621441515 /nfs/dbraw/zinc/44/15/15/621441515.db2.gz ZABKDELDSGTVEU-CHWSQXEVSA-N 2 0 286.778 2.573 20 0 CFADRP CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]C1 ZINC000903784756 621442010 /nfs/dbraw/zinc/44/20/10/621442010.db2.gz RNJRRFLUQVRNDL-CZUORRHYSA-N 2 0 273.424 2.911 20 0 CFADRP [NH3+]CC1([C@H]2CCCCN2CCC[NH+]2CCCCC2)CCC1 ZINC000903811292 621447145 /nfs/dbraw/zinc/44/71/45/621447145.db2.gz KVJNQGBAQKHSBN-QGZVFWFLSA-N 2 0 293.499 2.846 20 0 CFADRP CCSCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812926 621447559 /nfs/dbraw/zinc/44/75/59/621447559.db2.gz BFLWWIFWLQQOPW-CYBMUJFWSA-N 2 0 256.459 2.723 20 0 CFADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCOCC(F)(F)F)CCC1 ZINC000903814035 621448088 /nfs/dbraw/zinc/44/80/88/621448088.db2.gz JFTIKVDSMOINBF-GFCCVEGCSA-N 2 0 294.361 2.549 20 0 CFADRP Clc1cccc2c1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000903829974 621451381 /nfs/dbraw/zinc/45/13/81/621451381.db2.gz PMQJFLACVWXSMO-LLVKDONJSA-N 2 0 250.773 2.655 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000903831269 621451775 /nfs/dbraw/zinc/45/17/75/621451775.db2.gz GCJDJCNZHNYRAR-CQSZACIVSA-N 2 0 281.469 2.917 20 0 CFADRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903832436 621452099 /nfs/dbraw/zinc/45/20/99/621452099.db2.gz RPTJAYFHWWCWLE-UHFFFAOYSA-N 2 0 298.434 2.898 20 0 CFADRP c1cnc2c(c1)cccc2CN1CCC[C@]12CC[NH2+]C2 ZINC000903867251 621453962 /nfs/dbraw/zinc/45/39/62/621453962.db2.gz OOFSKRRUJRWAHI-QGZVFWFLSA-N 2 0 267.376 2.563 20 0 CFADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000903849833 621455596 /nfs/dbraw/zinc/45/55/96/621455596.db2.gz HXNBKPQARJYDBK-UBHSHLNASA-N 2 0 280.799 2.530 20 0 CFADRP Cc1ccnc(C2CC[NH+](CCCCCCC[NH3+])CC2)n1 ZINC000903870011 621461925 /nfs/dbraw/zinc/46/19/25/621461925.db2.gz BWPSWHZVXLTJHS-UHFFFAOYSA-N 2 0 290.455 2.874 20 0 CFADRP CN1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](c2ccccc2)C1 ZINC000903873051 621462366 /nfs/dbraw/zinc/46/23/66/621462366.db2.gz FAGAPCHIHMMBGM-ZCTYVAAUSA-N 2 0 299.462 2.506 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903876562 621462915 /nfs/dbraw/zinc/46/29/15/621462915.db2.gz YWCVNHCEGBGUNJ-JKSUJKDBSA-N 2 0 268.445 2.644 20 0 CFADRP C[N@@H+](Cc1ccc(F)c(F)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903880006 621463095 /nfs/dbraw/zinc/46/30/95/621463095.db2.gz MGFWDEKOIIXBMY-AGUYFDCRSA-N 2 0 280.362 2.927 20 0 CFADRP c1ccc(C2([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903896946 621466520 /nfs/dbraw/zinc/46/65/20/621466520.db2.gz BTFYRGXOEUJIGF-VHRNVKJDSA-N 2 0 256.393 2.796 20 0 CFADRP CC[C@@](C)([NH2+]C[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903898154 621467116 /nfs/dbraw/zinc/46/71/16/621467116.db2.gz KCYLCEFOMKEFOC-GXTWGEPZSA-N 2 0 256.340 2.884 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000903899822 621467392 /nfs/dbraw/zinc/46/73/92/621467392.db2.gz VXOLOUVIWRLPGG-QHEDDYRISA-N 2 0 292.467 2.797 20 0 CFADRP CN(C[C@@H]([NH3+])CC(F)F)C(C)(C)C[NH+]1CCCCCC1 ZINC000903911216 621471753 /nfs/dbraw/zinc/47/17/53/621471753.db2.gz ZBOGRBWCCRUIOZ-ZDUSSCGKSA-N 2 0 291.430 2.555 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000903920075 621472835 /nfs/dbraw/zinc/47/28/35/621472835.db2.gz HBNMDVPCNYOBFG-MGNMYUMUSA-N 2 0 288.435 2.883 20 0 CFADRP Cc1ccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C[NH+](C)C)c1 ZINC000903918655 621472919 /nfs/dbraw/zinc/47/29/19/621472919.db2.gz DSHHWFJSQAWMOM-ZXFUBFMLSA-N 2 0 287.451 2.999 20 0 CFADRP CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(C)noc1C ZINC000903920341 621473127 /nfs/dbraw/zinc/47/31/27/621473127.db2.gz IJLNUZUREBMHMF-JALIKCBVSA-N 2 0 277.412 2.863 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+]CCC(C)(C)[NH3+])cc1F ZINC000903939268 621474336 /nfs/dbraw/zinc/47/43/36/621474336.db2.gz FAXPRJYXNFLXOA-LBPRGKRZSA-N 2 0 282.403 2.730 20 0 CFADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1C ZINC000903939390 621474782 /nfs/dbraw/zinc/47/47/82/621474782.db2.gz ZEDGDRQFPUKESZ-CYBMUJFWSA-N 2 0 291.439 2.738 20 0 CFADRP c1ccc2c(c1)CC[C@@H](CC[NH2+]CC1C[C@H]3CC[C@@H](C1)[NH2+]3)N2 ZINC000903932094 621476688 /nfs/dbraw/zinc/47/66/88/621476688.db2.gz MDZIXBWYZUADAV-ASDXVTRWSA-N 2 0 299.462 2.924 20 0 CFADRP CCCN(Cc1ccc(OC)cc1)C[C@@H]([NH3+])CC(F)F ZINC000903933911 621477481 /nfs/dbraw/zinc/47/74/81/621477481.db2.gz ASEGFJWAGHBCAD-ZDUSSCGKSA-N 2 0 286.366 2.890 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC(C)(C)[NH3+])C1 ZINC000903938831 621478062 /nfs/dbraw/zinc/47/80/62/621478062.db2.gz MORBCVPPRMSESE-GDBMZVCRSA-N 2 0 275.440 2.539 20 0 CFADRP CC(C)([NH3+])CC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000903938808 621478282 /nfs/dbraw/zinc/47/82/82/621478282.db2.gz LFDVZRLCYRHBOO-UHFFFAOYSA-N 2 0 258.312 2.505 20 0 CFADRP C[C@@H]([NH3+])c1ccc(NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903917475 621478710 /nfs/dbraw/zinc/47/87/10/621478710.db2.gz MBQHVFWVIXJQJF-CYBMUJFWSA-N 2 0 281.403 2.964 20 0 CFADRP C[NH2+]Cc1ccccc1NCc1cccc2c1CC[NH2+]C2 ZINC000903917010 621478781 /nfs/dbraw/zinc/47/87/81/621478781.db2.gz JLARHBFAIWQDMF-UHFFFAOYSA-N 2 0 281.403 2.664 20 0 CFADRP FC1(F)CC[NH2+]C[C@H]1C[NH2+]CCC1CCCCC1 ZINC000903958421 621479948 /nfs/dbraw/zinc/47/99/48/621479948.db2.gz ZUAQVXXSXAJPRZ-CYBMUJFWSA-N 2 0 260.372 2.791 20 0 CFADRP CC(C)([NH3+])CC[NH2+]CCCCOc1ccccc1 ZINC000903939827 621481647 /nfs/dbraw/zinc/48/16/47/621481647.db2.gz NWMTZKJIWYAWSK-UHFFFAOYSA-N 2 0 250.386 2.563 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC(C)(C)[NH3+] ZINC000903939740 621481844 /nfs/dbraw/zinc/48/18/44/621481844.db2.gz LEZFIOWBVSXVCV-UHFFFAOYSA-N 2 0 299.418 2.974 20 0 CFADRP CCC1([NH3+])CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000903946048 621484224 /nfs/dbraw/zinc/48/42/24/621484224.db2.gz HBDREYGXPGWTDM-UHFFFAOYSA-N 2 0 269.392 2.938 20 0 CFADRP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000903949164 621486412 /nfs/dbraw/zinc/48/64/12/621486412.db2.gz ZKETYCVWEDAAQC-SQDXWYPISA-N 2 0 288.410 2.990 20 0 CFADRP Cc1csc(C[C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000903953897 621489339 /nfs/dbraw/zinc/48/93/39/621489339.db2.gz NFLZCMTXFYFUCG-HOCLYGCPSA-N 2 0 293.480 2.706 20 0 CFADRP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956173 621490988 /nfs/dbraw/zinc/49/09/88/621490988.db2.gz IICGYMQLUOYYCN-GJZGRUSLSA-N 2 0 282.378 2.842 20 0 CFADRP COc1cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1SC ZINC000903973827 621492332 /nfs/dbraw/zinc/49/23/32/621492332.db2.gz GLVGITHQBFRULO-TZMCWYRMSA-N 2 0 294.464 2.752 20 0 CFADRP CC(C)c1cnc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903973399 621492419 /nfs/dbraw/zinc/49/24/19/621492419.db2.gz CIBJNYRWDBNOKP-VXGBXAGGSA-N 2 0 267.442 2.602 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000903974222 621492491 /nfs/dbraw/zinc/49/24/91/621492491.db2.gz MERPCCFAMZTOKP-VXGBXAGGSA-N 2 0 276.355 2.907 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000903975127 621492839 /nfs/dbraw/zinc/49/28/39/621492839.db2.gz XRWGNJCQPGQPNZ-HUUCEWRRSA-N 2 0 280.456 2.561 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903975079 621492975 /nfs/dbraw/zinc/49/29/75/621492975.db2.gz WLLJYPZFUOCNSJ-IJEWVQPXSA-N 2 0 278.415 2.982 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)C[C@H]1CC[NH3+] ZINC000903976875 621493522 /nfs/dbraw/zinc/49/35/22/621493522.db2.gz GEYIZCALEJMYMP-GDBMZVCRSA-N 2 0 288.435 2.892 20 0 CFADRP COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977346 621493657 /nfs/dbraw/zinc/49/36/57/621493657.db2.gz PIDWWOMXIOZEMF-WQELODFKSA-N 2 0 274.408 2.625 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000903978425 621494010 /nfs/dbraw/zinc/49/40/10/621494010.db2.gz FFZSTTWXBXUHFG-VXGBXAGGSA-N 2 0 281.469 2.776 20 0 CFADRP C[C@H](C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000903978680 621494018 /nfs/dbraw/zinc/49/40/18/621494018.db2.gz JZHWIHUZTXOXTR-UMVBOHGHSA-N 2 0 264.388 2.764 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978497 621494039 /nfs/dbraw/zinc/49/40/39/621494039.db2.gz HMHBROMPPUXQKN-IJLUTSLNSA-N 2 0 266.351 2.943 20 0 CFADRP COc1ccc2oc(C[N@@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cc2c1 ZINC000903978153 621494079 /nfs/dbraw/zinc/49/40/79/621494079.db2.gz HEOVHGQFSHYENH-CHWSQXEVSA-N 2 0 288.391 2.858 20 0 CFADRP C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903978142 621494301 /nfs/dbraw/zinc/49/43/01/621494301.db2.gz GNASQEGXMZNWMG-BFYDXBDKSA-N 2 0 260.425 2.782 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000903964037 621495755 /nfs/dbraw/zinc/49/57/55/621495755.db2.gz FVJKAXNDYPFMQQ-PWSUYJOCSA-N 2 0 288.313 2.530 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967389 621496346 /nfs/dbraw/zinc/49/63/46/621496346.db2.gz ISTHFHFLCFVFFI-ZMSDIMECSA-N 2 0 260.425 2.700 20 0 CFADRP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967480 621496230 /nfs/dbraw/zinc/49/62/30/621496230.db2.gz JXMFHYRRVFRORV-PVAVHDDUSA-N 2 0 260.425 2.761 20 0 CFADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000903967769 621496234 /nfs/dbraw/zinc/49/62/34/621496234.db2.gz NYHIUHMDATUVEL-BSWAZPDLSA-N 2 0 258.409 2.768 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968348 621497151 /nfs/dbraw/zinc/49/71/51/621497151.db2.gz UDCQQNUHCGDHLV-NFAWXSAZSA-N 2 0 278.465 2.785 20 0 CFADRP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903986071 621498566 /nfs/dbraw/zinc/49/85/66/621498566.db2.gz FKZZOUUGUWRTRO-KLAILNCOSA-N 3 0 281.488 2.747 20 0 CFADRP Cc1cc(CN2C[C@H]([NH3+])C(C)(C)C2)cc2cccnc12 ZINC000903986763 621498789 /nfs/dbraw/zinc/49/87/89/621498789.db2.gz RLMHSQMJFQAYBC-HNNXBMFYSA-N 2 0 269.392 2.712 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000904301732 621569072 /nfs/dbraw/zinc/56/90/72/621569072.db2.gz QBXWLIKONPFDDE-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)C[C@H]21 ZINC000904302614 621569131 /nfs/dbraw/zinc/56/91/31/621569131.db2.gz XFKNPVHHFHARAB-GVDBMIGSSA-N 2 0 286.419 2.571 20 0 CFADRP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306948 621569243 /nfs/dbraw/zinc/56/92/43/621569243.db2.gz HRRKHROHCKTDHV-KLPPZKSPSA-N 2 0 288.313 2.754 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904305799 621569783 /nfs/dbraw/zinc/56/97/83/621569783.db2.gz UAPQLCOPILISAN-KRWDZBQOSA-N 2 0 276.424 2.695 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@H+](Cc2ccc(F)cc2F)C2CC2)C1 ZINC000904307105 621570010 /nfs/dbraw/zinc/57/00/10/621570010.db2.gz LCXFHSZDZIHHTF-GSJFWJNXSA-N 2 0 266.335 2.667 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)C1 ZINC000904308001 621570544 /nfs/dbraw/zinc/57/05/44/621570544.db2.gz ZZMVGJSJHVKTAW-MCIONIFRSA-N 2 0 285.391 2.745 20 0 CFADRP C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904314508 621571779 /nfs/dbraw/zinc/57/17/79/621571779.db2.gz ZUAIRDZSXOGEQO-FZNQNYSPSA-N 2 0 299.418 2.943 20 0 CFADRP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904315768 621571821 /nfs/dbraw/zinc/57/18/21/621571821.db2.gz HDXHJVIDCGPJHQ-VNHYZAJKSA-N 2 0 260.381 2.569 20 0 CFADRP C[N@H+](CCc1ccccc1F)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313705 621571837 /nfs/dbraw/zinc/57/18/37/621571837.db2.gz YDJCAVJHDDLCKM-INIZCTEOSA-N 2 0 264.388 2.690 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](C[C@]1(C)CCC[NH2+]C1)C2 ZINC000904316419 621572355 /nfs/dbraw/zinc/57/23/55/621572355.db2.gz OMLSDJAOUTZIHU-GOSISDBHSA-N 2 0 288.435 2.833 20 0 CFADRP CCC[N@H+](C[C@H]1CCCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904317601 621572741 /nfs/dbraw/zinc/57/27/41/621572741.db2.gz IIGWIADWUNMAEH-CVEARBPZSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@]1(C[NH+]2CCC(OC3CCCC3)CC2)CCC[NH2+]C1 ZINC000904317765 621572824 /nfs/dbraw/zinc/57/28/24/621572824.db2.gz XIMIFLQFZCUTNK-QGZVFWFLSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904322598 621574191 /nfs/dbraw/zinc/57/41/91/621574191.db2.gz DZQFMMVOJDKSOH-YXAMBPQSSA-N 2 0 262.372 2.946 20 0 CFADRP C[C@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC[C@H]1c1ccccc1 ZINC000904325174 621575520 /nfs/dbraw/zinc/57/55/20/621575520.db2.gz RWJNIHDCWKYHLO-XJNFMUPTSA-N 2 0 258.409 2.849 20 0 CFADRP CSc1ccccc1C[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341200 621577959 /nfs/dbraw/zinc/57/79/59/621577959.db2.gz KNSJJYLWVNJSFU-BJHJDKERSA-N 2 0 250.411 2.578 20 0 CFADRP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904340343 621578130 /nfs/dbraw/zinc/57/81/30/621578130.db2.gz HMZZEAKBCCQBCJ-LGWLGOQQSA-N 2 0 274.408 2.815 20 0 CFADRP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341839 621578168 /nfs/dbraw/zinc/57/81/68/621578168.db2.gz XBSUNDNLMJDURJ-OHTBPHCPSA-N 2 0 282.815 2.743 20 0 CFADRP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342102 621578236 /nfs/dbraw/zinc/57/82/36/621578236.db2.gz XDJHJDPJZUGTJV-DZUCGIPZSA-N 2 0 258.409 2.677 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904342331 621578872 /nfs/dbraw/zinc/57/88/72/621578872.db2.gz DHVCVBXUCBTCJE-IRXDYDNUSA-N 2 0 295.515 2.804 20 0 CFADRP COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342352 621578960 /nfs/dbraw/zinc/57/89/60/621578960.db2.gz DYJPMUXHOWGAQL-GLQYFDAESA-N 2 0 282.815 2.697 20 0 CFADRP CC[NH2+]Cc1cccc(NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000904354009 621580941 /nfs/dbraw/zinc/58/09/41/621580941.db2.gz TZYOBKAPZPZANJ-MRXNPFEDSA-N 2 0 261.413 2.598 20 0 CFADRP Cc1ccc([C@@H]2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c(C)c1 ZINC000904351634 621581040 /nfs/dbraw/zinc/58/10/40/621581040.db2.gz ZYVMMPTVXSGBQG-OAGGEKHMSA-N 2 0 258.409 2.830 20 0 CFADRP Cc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1Br ZINC000904353409 621581309 /nfs/dbraw/zinc/58/13/09/621581309.db2.gz LYDLSKVNKZSQBC-GFCCVEGCSA-N 2 0 297.240 2.847 20 0 CFADRP Cc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1Br ZINC000904353410 621581319 /nfs/dbraw/zinc/58/13/19/621581319.db2.gz LYDLSKVNKZSQBC-LBPRGKRZSA-N 2 0 297.240 2.847 20 0 CFADRP C[C@@]1(C[NH2+][C@@H]2CCCc3cc(N)ccc32)CCC[NH2+]C1 ZINC000904356703 621582186 /nfs/dbraw/zinc/58/21/86/621582186.db2.gz YAAONKCIFJQJDE-IAGOWNOFSA-N 2 0 273.424 2.626 20 0 CFADRP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC(C[NH3+])C1 ZINC000904362211 621582937 /nfs/dbraw/zinc/58/29/37/621582937.db2.gz IMUYHXRPBPQPNY-JKDOVBDQSA-N 2 0 286.341 2.963 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)C1CCOCC1 ZINC000904361174 621583088 /nfs/dbraw/zinc/58/30/88/621583088.db2.gz WZXGGNWZPYTEFF-OCCSQVGLSA-N 2 0 256.434 2.545 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC(C[NH3+])C1 ZINC000904367007 621583542 /nfs/dbraw/zinc/58/35/42/621583542.db2.gz TZBRYQMPPKCFAO-BCLQGDPASA-N 2 0 264.388 2.720 20 0 CFADRP Cc1ccc(NC[C@@]2(C)CCC[NH2+]C2)c(C[NH+](C)C)c1 ZINC000904359113 621583736 /nfs/dbraw/zinc/58/37/36/621583736.db2.gz CZDMCTXZMCNPSO-KRWDZBQOSA-N 2 0 275.440 2.858 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)C1 ZINC000904372287 621584529 /nfs/dbraw/zinc/58/45/29/621584529.db2.gz AJLZUKPEQIGMMP-UAGQMJEPSA-N 2 0 270.420 2.993 20 0 CFADRP Cc1cccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1C ZINC000904389644 621586561 /nfs/dbraw/zinc/58/65/61/621586561.db2.gz PRKMLYXDWAGMTK-QGZVFWFLSA-N 2 0 288.435 2.633 20 0 CFADRP CCc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)s1 ZINC000904391092 621586621 /nfs/dbraw/zinc/58/66/21/621586621.db2.gz CXCHFLYNKFXYLG-CYBMUJFWSA-N 2 0 294.464 2.640 20 0 CFADRP C[C@@]1(C[NH2+]CC[C@@H]2CCc3ccccc3N2)CCC[NH2+]C1 ZINC000904375703 621587035 /nfs/dbraw/zinc/58/70/35/621587035.db2.gz GHTIJSCMEDPNON-FUHWJXTLSA-N 2 0 287.451 2.783 20 0 CFADRP CCC(C)(C)[NH+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904376338 621587290 /nfs/dbraw/zinc/58/72/90/621587290.db2.gz PCKONACGDXPXID-HNNXBMFYSA-N 2 0 283.504 2.946 20 0 CFADRP [NH3+]CC1CC([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000904380806 621588079 /nfs/dbraw/zinc/58/80/79/621588079.db2.gz HBOBBKWXLXTBKA-WIQPZXRYSA-N 2 0 250.773 2.654 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)C1 ZINC000904383663 621588278 /nfs/dbraw/zinc/58/82/78/621588278.db2.gz BXLFUDHQQMDTAF-IMJJTQAJSA-N 2 0 262.372 2.685 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc2c(c1)CCCO2 ZINC000904384082 621588305 /nfs/dbraw/zinc/58/83/05/621588305.db2.gz IAEALHOYGDJPII-UHFFFAOYSA-N 2 0 276.424 2.963 20 0 CFADRP CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000904383611 621588345 /nfs/dbraw/zinc/58/83/45/621588345.db2.gz ABVSWEBKNMBLJX-YOEHRIQHSA-N 2 0 283.504 2.837 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+]C2(c3c(F)cccc3F)CCC2)C1 ZINC000904380792 621588406 /nfs/dbraw/zinc/58/84/06/621588406.db2.gz GUZHSIHANPKFIE-PHIMTYICSA-N 2 0 266.335 2.671 20 0 CFADRP C[N@@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CCC1(C)C ZINC000904384775 621589007 /nfs/dbraw/zinc/58/90/07/621589007.db2.gz NSQGETVMRLYQLS-AWEZNQCLSA-N 2 0 269.477 2.556 20 0 CFADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000904386333 621589342 /nfs/dbraw/zinc/58/93/42/621589342.db2.gz WSRCFKJBMHSJAT-WBVHZDCISA-N 2 0 281.488 2.606 20 0 CFADRP [NH3+]CC[C@H]1CC[N@H+](CCSCc2ccccc2)C1 ZINC000904405586 621590128 /nfs/dbraw/zinc/59/01/28/621590128.db2.gz OQZMSZQRVIVCBO-AWEZNQCLSA-N 2 0 264.438 2.591 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1OCC ZINC000904405482 621590220 /nfs/dbraw/zinc/59/02/20/621590220.db2.gz JXGFBVZEUNZCCS-AWEZNQCLSA-N 2 0 292.423 2.655 20 0 CFADRP Cc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)ccc1Cl ZINC000904405163 621590231 /nfs/dbraw/zinc/59/02/31/621590231.db2.gz GCJORDJRCUYLQZ-LBPRGKRZSA-N 2 0 252.789 2.819 20 0 CFADRP Cc1cc(F)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000904404715 621590269 /nfs/dbraw/zinc/59/02/69/621590269.db2.gz DJCZUSGEFGVWHQ-NSHDSACASA-N 2 0 270.779 2.958 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cc2c1 ZINC000904409633 621591437 /nfs/dbraw/zinc/59/14/37/621591437.db2.gz FAILDTVXADLGLO-CHWSQXEVSA-N 2 0 288.391 2.858 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@H]1C[NH3+] ZINC000904410578 621591898 /nfs/dbraw/zinc/59/18/98/621591898.db2.gz OZTCSAJDQJGOCQ-HIFRSBDPSA-N 2 0 258.409 2.592 20 0 CFADRP CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904411550 621592699 /nfs/dbraw/zinc/59/26/99/621592699.db2.gz MEYBCGCIRVLPNP-KGLIPLIRSA-N 2 0 262.397 2.502 20 0 CFADRP C[C@H]1C[N@H+](Cc2coc3ccccc23)CC[C@@H]1C[NH3+] ZINC000904411461 621592752 /nfs/dbraw/zinc/59/27/52/621592752.db2.gz NKXFZJFFGQYYNS-QWHCGFSZSA-N 2 0 258.365 2.850 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC000904412437 621593179 /nfs/dbraw/zinc/59/31/79/621593179.db2.gz SHAJDECQDMBDAU-GDBMZVCRSA-N 2 0 298.434 2.802 20 0 CFADRP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1C[NH3+] ZINC000904412880 621593926 /nfs/dbraw/zinc/59/39/26/621593926.db2.gz YKOIVHAQYMLANV-NWDGAFQWSA-N 2 0 290.436 2.555 20 0 CFADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1C[NH3+] ZINC000904412882 621594118 /nfs/dbraw/zinc/59/41/18/621594118.db2.gz YKOIVHAQYMLANV-VXGBXAGGSA-N 2 0 290.436 2.555 20 0 CFADRP C([C@H]1CCCOC1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416452 621594178 /nfs/dbraw/zinc/59/41/78/621594178.db2.gz MZGVZHZEKURUIH-CVEARBPZSA-N 2 0 280.456 2.515 20 0 CFADRP CCc1onc(C)c1C[NH2+]Cc1cc2c(s1)CC[NH2+]C2 ZINC000904433342 621595347 /nfs/dbraw/zinc/59/53/47/621595347.db2.gz LTZSGOSNYJQRFV-UHFFFAOYSA-N 2 0 291.420 2.542 20 0 CFADRP COC(=O)CCC1([NH2+]C[C@@H]([NH3+])CC(C)C)CCCCC1 ZINC000904434681 621595876 /nfs/dbraw/zinc/59/58/76/621595876.db2.gz XHQAQFHABJIDQN-AWEZNQCLSA-N 2 0 284.444 2.606 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2)c1 ZINC000904420157 621596166 /nfs/dbraw/zinc/59/61/66/621596166.db2.gz DUXMTUCRVYQKJE-RBUKOAKNSA-N 2 0 293.414 2.790 20 0 CFADRP C[C@@H](CC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000904420230 621596210 /nfs/dbraw/zinc/59/62/10/621596210.db2.gz HUUSYNBBWCAPCK-BHYGNILZSA-N 2 0 258.409 2.722 20 0 CFADRP COc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420827 621596215 /nfs/dbraw/zinc/59/62/15/621596215.db2.gz HMILCXUFDWGANP-JKSUJKDBSA-N 2 0 296.414 2.890 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000904443365 621598565 /nfs/dbraw/zinc/59/85/65/621598565.db2.gz HGXAVSLKJXFPOK-MGPQQGTHSA-N 2 0 274.408 2.660 20 0 CFADRP C[C@H](C[NH2+]CC1([NH3+])CC1)c1cccc(Br)c1 ZINC000904449100 621599343 /nfs/dbraw/zinc/59/93/43/621599343.db2.gz GNTDRURODJUEDV-SNVBAGLBSA-N 2 0 283.213 2.634 20 0 CFADRP Fc1cccc2c1OCC[C@H]2[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904446355 621599683 /nfs/dbraw/zinc/59/96/83/621599683.db2.gz ZUBQROYCVRMDTM-XQERAMJGSA-N 2 0 290.382 2.770 20 0 CFADRP CC1(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000904459054 621600240 /nfs/dbraw/zinc/60/02/40/621600240.db2.gz NGUIRQGHNXOGBF-UHFFFAOYSA-N 2 0 258.409 2.779 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CC[NH2+]1 ZINC000904474305 621601710 /nfs/dbraw/zinc/60/17/10/621601710.db2.gz XSWVWQLRSXUMIL-WCXIOVBPSA-N 2 0 280.456 2.513 20 0 CFADRP CCOc1ccc(CC[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000904477889 621601856 /nfs/dbraw/zinc/60/18/56/621601856.db2.gz ZCBOURWKXLDLMV-NVXWUHKLSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@H]1C[C@@H](CNc2ccc(C(C)(C)[NH3+])cc2)CC[NH2+]1 ZINC000904477681 621601904 /nfs/dbraw/zinc/60/19/04/621601904.db2.gz WSFPQRBUIIEDRA-STQMWFEESA-N 2 0 261.413 2.680 20 0 CFADRP Nc1cc[nH+]cc1-c1cccc(C[NH+]2CCCC2)c1 ZINC000904767375 621641878 /nfs/dbraw/zinc/64/18/78/621641878.db2.gz RRRNDNSWFITUBL-UHFFFAOYSA-N 2 0 253.349 2.757 20 0 CFADRP Cc1cccc([C@@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000905033744 621683604 /nfs/dbraw/zinc/68/36/04/621683604.db2.gz HJYPQGLQSYXMKL-IBGZPJMESA-N 2 0 298.430 2.880 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CCON=C(N)CCC(F)(F)F ZINC000906508886 621995117 /nfs/dbraw/zinc/99/51/17/621995117.db2.gz ZSXPSIZCKLUGOC-SNVBAGLBSA-N 2 0 281.322 2.702 20 0 CFADRP C[C@H](C[NH2+]C1CC([NH3+])C1)c1cccc(Br)c1 ZINC000906509566 621995204 /nfs/dbraw/zinc/99/52/04/621995204.db2.gz JSXYDLSJYAUQFS-UHEGKEBESA-N 2 0 283.213 2.632 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000906508346 621995241 /nfs/dbraw/zinc/99/52/41/621995241.db2.gz OARJJMHUZZKAEE-HDJSIYSDSA-N 2 0 260.381 2.587 20 0 CFADRP COc1ccc(C[NH2+]C2CC([NH3+])C2)cc1OCCC(C)C ZINC000906510147 621995319 /nfs/dbraw/zinc/99/53/19/621995319.db2.gz NOBSSVNQZRWHJW-UHFFFAOYSA-N 2 0 292.423 2.699 20 0 CFADRP CCCC[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000906534016 621999843 /nfs/dbraw/zinc/99/98/43/621999843.db2.gz MHGFFNYPSSKZFU-UHFFFAOYSA-N 2 0 261.413 2.683 20 0 CFADRP C[NH+](C)CC1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906582314 622014690 /nfs/dbraw/zinc/01/46/90/622014690.db2.gz AZEPMQYGJKPNQE-IAGOWNOFSA-N 2 0 276.399 2.955 20 0 CFADRP c1nc2ccccc2n1CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924825470 622346900 /nfs/dbraw/zinc/34/69/00/622346900.db2.gz QQRRVGKZXLWNHH-DOTOQJQBSA-N 2 0 298.434 2.643 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])C2CCCCCC2)c1 ZINC000911691510 622535781 /nfs/dbraw/zinc/53/57/81/622535781.db2.gz ACRIPOSDMMACPY-INIZCTEOSA-N 2 0 289.423 2.642 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]23CC[NH2+][C@H]2CCCC3)cc1 ZINC000911845451 622563877 /nfs/dbraw/zinc/56/38/77/622563877.db2.gz KTEVWXMWJTUUIB-YLQAJVPDSA-N 2 0 287.407 2.567 20 0 CFADRP C1CC([NH+]2CCC([NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)C1 ZINC000924844721 622672629 /nfs/dbraw/zinc/67/26/29/622672629.db2.gz WSEBJSFAJCQKQN-HLLBOEOZSA-N 2 0 292.467 2.798 20 0 CFADRP C[C@@H]([NH2+]Cc1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000820805550 622759431 /nfs/dbraw/zinc/75/94/31/622759431.db2.gz MBNHFTMNBCTSRH-CQSZACIVSA-N 2 0 269.392 2.994 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000820805856 622760566 /nfs/dbraw/zinc/76/05/66/622760566.db2.gz SRVLOGOJPCGDET-RDJZCZTQSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C[NH+](C)C)c1 ZINC000820805814 622760735 /nfs/dbraw/zinc/76/07/35/622760735.db2.gz SFGDVZUENOCYLB-CJNGLKHVSA-N 2 0 262.397 2.578 20 0 CFADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)[C@H]1CCCO1 ZINC000820829620 622768488 /nfs/dbraw/zinc/76/84/88/622768488.db2.gz KPFPKHVPECBOHT-DQOFTXQYSA-N 2 0 278.440 2.691 20 0 CFADRP c1csc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151119384 622837822 /nfs/dbraw/zinc/83/78/22/622837822.db2.gz HPRNBWPCSKFYHV-UHFFFAOYSA-N 2 0 273.405 2.508 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2cncc3ccccc32)CC1 ZINC000164964249 622977695 /nfs/dbraw/zinc/97/76/95/622977695.db2.gz PGFIPUDTVNMTRA-UHFFFAOYSA-N 2 0 255.365 2.594 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000165074888 622980548 /nfs/dbraw/zinc/98/05/48/622980548.db2.gz ICEKOGNLTIBPSJ-AWEZNQCLSA-N 2 0 269.392 2.796 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000226349763 623068114 /nfs/dbraw/zinc/06/81/14/623068114.db2.gz SLWWNMZVWUCAAL-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228534936 623148088 /nfs/dbraw/zinc/14/80/88/623148088.db2.gz UNMPWTJQASGQAL-USXIJHARSA-N 2 0 274.408 2.645 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC[C@@H]3CC3(Cl)Cl)CC[C@@H]21 ZINC000822691407 623152724 /nfs/dbraw/zinc/15/27/24/623152724.db2.gz JBPQAKFDLJWJFH-UPJWGTAASA-N 2 0 291.266 2.986 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[C@@H](C)O1 ZINC000825302863 623666656 /nfs/dbraw/zinc/66/66/56/623666656.db2.gz ALELRHJIDHNOMP-OVYGPGRDSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cccnc2)C[C@@H]1C ZINC000929780703 623668249 /nfs/dbraw/zinc/66/82/49/623668249.db2.gz NCYXADZGROWRLY-DOTOQJQBSA-N 2 0 275.440 2.819 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152425664 623702180 /nfs/dbraw/zinc/70/21/80/623702180.db2.gz PXZFAGRZCVYBFL-QWHCGFSZSA-N 2 0 270.486 2.981 20 0 CFADRP CCC(CC)[C@@H](CNc1cc(C)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000914572010 623899807 /nfs/dbraw/zinc/89/98/07/623899807.db2.gz FPBQBMWGHUZNAU-CQSZACIVSA-N 2 0 291.443 2.680 20 0 CFADRP ClC1(Cl)C[C@@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000915689457 624094790 /nfs/dbraw/zinc/09/47/90/624094790.db2.gz NOHUCXDLPHYASA-CYBMUJFWSA-N 2 0 291.266 2.988 20 0 CFADRP Fc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(F)cn1 ZINC000827845534 624110203 /nfs/dbraw/zinc/11/02/03/624110203.db2.gz WKFXEZOYYTVDST-UHFFFAOYSA-N 2 0 295.377 2.571 20 0 CFADRP CN(CCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000828571214 624270689 /nfs/dbraw/zinc/27/06/89/624270689.db2.gz NSJDYKSMLPTEFB-GOSISDBHSA-N 2 0 287.451 2.541 20 0 CFADRP CC(C)[NH+](CCSC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000917389793 624338794 /nfs/dbraw/zinc/33/87/94/624338794.db2.gz RJLPGQREIVMNTJ-CQSZACIVSA-N 2 0 258.475 2.933 20 0 CFADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000089749218 624386355 /nfs/dbraw/zinc/38/63/55/624386355.db2.gz XDDYOPWDJWXGAN-LBPRGKRZSA-N 2 0 297.240 2.881 20 0 CFADRP CCCOCc1ccccc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925475409 624655237 /nfs/dbraw/zinc/65/52/37/624655237.db2.gz MPIOANGATZGTAM-WMLDXEAASA-N 2 0 276.424 2.843 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cncc3ccccc32)CC[C@H]1[NH3+] ZINC000252857615 625214978 /nfs/dbraw/zinc/21/49/78/625214978.db2.gz LKHUMKFYNQVALC-SUMWQHHRSA-N 2 0 269.392 2.794 20 0 CFADRP Cc1cnc(Cl)c(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000921619672 625998686 /nfs/dbraw/zinc/99/86/86/625998686.db2.gz OECUSFFNXVLZFQ-ZDUSSCGKSA-N 2 0 281.831 2.863 20 0 CFADRP CC[N@@H+]1CCC[C@H](CNCc2cnn(CC3CCC3)c2)C1 ZINC000921624723 626001531 /nfs/dbraw/zinc/00/15/31/626001531.db2.gz MNQOGCKAXXJRAX-MRXNPFEDSA-N 2 0 290.455 2.505 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921686112 626078025 /nfs/dbraw/zinc/07/80/25/626078025.db2.gz FNEHUJWMVCHYFY-UHFFFAOYSA-N 2 0 287.451 2.782 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921687096 626081199 /nfs/dbraw/zinc/08/11/99/626081199.db2.gz WZROOWKCMFAVDV-UHFFFAOYSA-N 2 0 290.455 2.820 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921989510 626191577 /nfs/dbraw/zinc/19/15/77/626191577.db2.gz IWYMGHQMWPQKHG-CABCVRRESA-N 2 0 288.501 2.609 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000921989518 626191846 /nfs/dbraw/zinc/19/18/46/626191846.db2.gz IWYMGHQMWPQKHG-LSDHHAIUSA-N 2 0 288.501 2.609 20 0 CFADRP C1C([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1[NH+]1CCCCC1 ZINC000922081542 626204773 /nfs/dbraw/zinc/20/47/73/626204773.db2.gz PKFCHJWZQONKMH-VBWXLCSBSA-N 2 0 292.467 2.798 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccnn1C1CCC1 ZINC000922160580 626221787 /nfs/dbraw/zinc/22/17/87/626221787.db2.gz WCWVPFZOXQGIAK-UHFFFAOYSA-N 2 0 278.444 2.818 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000922317612 626268995 /nfs/dbraw/zinc/26/89/95/626268995.db2.gz IMKDWJWBCRYDBU-UHFFFAOYSA-N 2 0 288.435 2.974 20 0 CFADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1 ZINC000851727483 634492474 /nfs/dbraw/zinc/49/24/74/634492474.db2.gz OXNCLRLYZTVQMT-HZPDHXFCSA-N 2 0 268.445 2.608 20 0 CFADRP CCCCC[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186564740 626347008 /nfs/dbraw/zinc/34/70/08/626347008.db2.gz SENSVPHXWVHGAK-HOTGVXAUSA-N 2 0 269.477 2.571 20 0 CFADRP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000922771903 626362237 /nfs/dbraw/zinc/36/22/37/626362237.db2.gz RQEHNKWCEJFNBC-JKSUJKDBSA-N 2 0 299.418 2.895 20 0 CFADRP Cc1noc(C)c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848795 626380422 /nfs/dbraw/zinc/38/04/22/626380422.db2.gz XUZMTAUKKVYWBO-UHFFFAOYSA-N 2 0 277.412 2.788 20 0 CFADRP CC(C)[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cnn(C)c1 ZINC000922890376 626394192 /nfs/dbraw/zinc/39/41/92/626394192.db2.gz MBPTWHWPRXYKCH-HUUCEWRRSA-N 2 0 278.444 2.580 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c(F)cc(O)cc2F)CC1(C)C ZINC000922977089 626437857 /nfs/dbraw/zinc/43/78/57/626437857.db2.gz UQTZRHLPICUAJE-NSHDSACASA-N 2 0 298.377 2.675 20 0 CFADRP c1ccc([C@@H]2CSCCN2CCC[NH2+]C2CC2)cc1 ZINC000923300192 626463264 /nfs/dbraw/zinc/46/32/64/626463264.db2.gz DFGDPCSGTBGVPA-INIZCTEOSA-N 2 0 276.449 2.919 20 0 CFADRP c1ccc(OCC2CC[NH+](CCC[NH2+]C3CC3)CC2)cc1 ZINC000923308130 626464326 /nfs/dbraw/zinc/46/43/26/626464326.db2.gz CNNWWSGICZUNQE-UHFFFAOYSA-N 2 0 288.435 2.920 20 0 CFADRP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923303697 626464532 /nfs/dbraw/zinc/46/45/32/626464532.db2.gz ILWHSKVYDMYDAN-WFASDCNBSA-N 2 0 294.826 2.711 20 0 CFADRP Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)c(C)c1 ZINC000923305308 626464807 /nfs/dbraw/zinc/46/48/07/626464807.db2.gz XDGOGZHZTZLIGZ-JKSUJKDBSA-N 2 0 288.435 2.675 20 0 CFADRP CC(C)[C@H](CO)[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923314688 626465159 /nfs/dbraw/zinc/46/51/59/626465159.db2.gz CETYULPUPVBAAP-SFHVURJKSA-N 2 0 290.451 2.648 20 0 CFADRP CC(C)C[C@H]1CCCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315893 626465182 /nfs/dbraw/zinc/46/51/82/626465182.db2.gz MDWVKQPXVVMRCY-CVEARBPZSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H](CO)[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923314685 626465200 /nfs/dbraw/zinc/46/52/00/626465200.db2.gz CETYULPUPVBAAP-GOSISDBHSA-N 2 0 290.451 2.648 20 0 CFADRP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317514 626465572 /nfs/dbraw/zinc/46/55/72/626465572.db2.gz DKSHYRJMPUIDCR-ZNMIVQPWSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@H](O)C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000923311900 626465724 /nfs/dbraw/zinc/46/57/24/626465724.db2.gz ATTKFTOCMYCICY-XYTVBORESA-N 2 0 294.483 2.923 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329466 626466147 /nfs/dbraw/zinc/46/61/47/626466147.db2.gz JWKPRPGLHMGBBZ-YESZJQIVSA-N 2 0 282.472 2.782 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000923321666 626466428 /nfs/dbraw/zinc/46/64/28/626466428.db2.gz HQBFUWCMMHONCQ-SJORKVTESA-N 2 0 293.499 2.715 20 0 CFADRP C[N@H+](CCC[NH2+]C1CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000923324833 626466724 /nfs/dbraw/zinc/46/67/24/626466724.db2.gz LQUUFEVWOBQNCZ-SFHVURJKSA-N 2 0 287.451 2.729 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923357731 626468361 /nfs/dbraw/zinc/46/83/61/626468361.db2.gz QOYGFYQVVVNTCB-IRXDYDNUSA-N 2 0 282.472 2.639 20 0 CFADRP Fc1cccc(CC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923364531 626468512 /nfs/dbraw/zinc/46/85/12/626468512.db2.gz NRDZBADMOINKNN-WBVHZDCISA-N 2 0 276.399 2.832 20 0 CFADRP CCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364662 626468650 /nfs/dbraw/zinc/46/86/50/626468650.db2.gz PHGPACPCTMZTAW-ULQDDVLXSA-N 2 0 282.472 2.782 20 0 CFADRP CCCCCC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000923364808 626468858 /nfs/dbraw/zinc/46/88/58/626468858.db2.gz OYOYVLYJVPHKLI-DLBZAZTESA-N 2 0 282.472 2.782 20 0 CFADRP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923373345 626469314 /nfs/dbraw/zinc/46/93/14/626469314.db2.gz MWQWDWMECITKBI-INIZCTEOSA-N 2 0 298.434 2.643 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(F)cc1Cl ZINC000923380013 626469542 /nfs/dbraw/zinc/46/95/42/626469542.db2.gz UPHUFWWUMOLKHD-CMPLNLGQSA-N 2 0 298.789 2.508 20 0 CFADRP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379261 626469568 /nfs/dbraw/zinc/46/95/68/626469568.db2.gz NZNQWVTZSWYOJW-JYJNAYRXSA-N 2 0 280.456 2.559 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1CCc1cccc(F)c1)CC[NH2+]CC2 ZINC000923382753 626469609 /nfs/dbraw/zinc/46/96/09/626469609.db2.gz FMVUDLRSVGYMLL-CQSZACIVSA-N 2 0 276.399 2.832 20 0 CFADRP C(C[N@@H+]1CCC[C@@H](OC2CCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923390720 626470076 /nfs/dbraw/zinc/47/00/76/626470076.db2.gz VJRUYFWNURTJNU-YCXXCVGLSA-N 2 0 292.467 2.941 20 0 CFADRP C(C[C@H]1CCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923388290 626470234 /nfs/dbraw/zinc/47/02/34/626470234.db2.gz NOTSPALJACRGTP-IAGOWNOFSA-N 2 0 292.467 2.800 20 0 CFADRP C(C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1)C1CCCC1 ZINC000923388295 626470312 /nfs/dbraw/zinc/47/03/12/626470312.db2.gz NOTSPALJACRGTP-SJORKVTESA-N 2 0 292.467 2.800 20 0 CFADRP CCCCC[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923395454 626470542 /nfs/dbraw/zinc/47/05/42/626470542.db2.gz MUPYVOOGVYPNMT-HOTGVXAUSA-N 2 0 280.456 2.800 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000923415202 626471569 /nfs/dbraw/zinc/47/15/69/626471569.db2.gz OZQCMHQGQDPGHF-WBVHZDCISA-N 2 0 294.414 2.556 20 0 CFADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1CC3CCC1CC3)CC2 ZINC000923444147 626473230 /nfs/dbraw/zinc/47/32/30/626473230.db2.gz HGYQKINQZWVRPJ-GQGLESIBSA-N 2 0 292.467 2.643 20 0 CFADRP Cc1cccc([C@@H](C)[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1 ZINC000923448316 626473383 /nfs/dbraw/zinc/47/33/83/626473383.db2.gz BSHDQGSXXSNKMB-WBVHZDCISA-N 2 0 288.435 2.886 20 0 CFADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000923478984 626476008 /nfs/dbraw/zinc/47/60/08/626476008.db2.gz KYQXSIXDWPIWGS-NXHRZFHOSA-N 2 0 288.435 2.968 20 0 CFADRP Cc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)o2)cc1 ZINC000923482158 626476178 /nfs/dbraw/zinc/47/61/78/626476178.db2.gz CFBXHHVDPXLTPC-CQSZACIVSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495303 626476238 /nfs/dbraw/zinc/47/62/38/626476238.db2.gz AIDWRUXYMZQXBA-JHJVBQTASA-N 2 0 250.361 2.803 20 0 CFADRP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923489905 626476451 /nfs/dbraw/zinc/47/64/51/626476451.db2.gz ZHBNNUDHKGMWHM-AWEZNQCLSA-N 2 0 285.391 2.821 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923496428 626476514 /nfs/dbraw/zinc/47/65/14/626476514.db2.gz IFFPWZQSKYLHST-JSGCOSHPSA-N 2 0 287.382 2.791 20 0 CFADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496463 626476603 /nfs/dbraw/zinc/47/66/03/626476603.db2.gz ACJRAXCYPIJDPD-HOTGVXAUSA-N 2 0 276.424 2.599 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923502546 626476869 /nfs/dbraw/zinc/47/68/69/626476869.db2.gz ZWOVWYFVKZVIDB-HOCLYGCPSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)CC[C@@H]1C[NH3+] ZINC000923494489 626476874 /nfs/dbraw/zinc/47/68/74/626476874.db2.gz XXRKBSZVQBYSQD-UKRRQHHQSA-N 2 0 250.430 2.874 20 0 CFADRP C[C@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)CC[C@@H]1C[NH3+] ZINC000923502404 626476883 /nfs/dbraw/zinc/47/68/83/626476883.db2.gz XFEDSOJFEPHKCW-NWDGAFQWSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@H]1C[N@H+](CCCc2c(F)cccc2F)CC[C@H]1C[NH3+] ZINC000923494397 626476988 /nfs/dbraw/zinc/47/69/88/626476988.db2.gz MNTJBPQEKKSCHT-STQMWFEESA-N 2 0 282.378 2.814 20 0 CFADRP CCCCc1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1 ZINC000923502737 626477007 /nfs/dbraw/zinc/47/70/07/626477007.db2.gz YVTCZJMZWHZDNS-QWHCGFSZSA-N 2 0 281.469 2.902 20 0 CFADRP C[C@H]1C[N@H+](Cc2cc(-c3cccs3)on2)CC[C@@H]1C[NH3+] ZINC000923498601 626477181 /nfs/dbraw/zinc/47/71/81/626477181.db2.gz HTERUZGZCYWQBD-NWDGAFQWSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)CC[C@H]1C[NH3+] ZINC000923500602 626477284 /nfs/dbraw/zinc/47/72/84/626477284.db2.gz WDXSZICAXQZFNS-MNOVXSKESA-N 2 0 270.779 2.896 20 0 CFADRP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)CC[C@H]1C[NH3+] ZINC000923500282 626477502 /nfs/dbraw/zinc/47/75/02/626477502.db2.gz NEORYIJQMHIVEG-NEPJUHHUSA-N 2 0 281.469 2.857 20 0 CFADRP C[C@@H]1C[N@H+](CCOC2CCCCCC2)CC[C@H]1C[NH3+] ZINC000923500823 626477518 /nfs/dbraw/zinc/47/75/18/626477518.db2.gz YINTUTBZQNXLOB-CABCVRRESA-N 2 0 268.445 2.643 20 0 CFADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC000923503958 626477567 /nfs/dbraw/zinc/47/75/67/626477567.db2.gz MYCHSEYGRNESRW-HOTGVXAUSA-N 2 0 276.424 2.599 20 0 CFADRP COCCCCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923505211 626477800 /nfs/dbraw/zinc/47/78/00/626477800.db2.gz MZUWCBNSQJYHJB-MRXNPFEDSA-N 2 0 282.472 2.905 20 0 CFADRP C([C@H]1C[C@]12CCOC2)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508155 626477989 /nfs/dbraw/zinc/47/79/89/626477989.db2.gz INAJIIPVVXYDPA-NXHRZFHOSA-N 2 0 292.467 2.515 20 0 CFADRP C([C@@H]1C[C@]12CCOC2)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508154 626478051 /nfs/dbraw/zinc/47/80/51/626478051.db2.gz INAJIIPVVXYDPA-NJAFHUGGSA-N 2 0 292.467 2.515 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2Cl)CC[C@@H]1C[NH3+] ZINC000923511133 626478073 /nfs/dbraw/zinc/47/80/73/626478073.db2.gz ZNCNVMAUWRCZOO-VXGBXAGGSA-N 2 0 252.789 2.757 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1C[NH3+] ZINC000923511130 626478094 /nfs/dbraw/zinc/47/80/94/626478094.db2.gz ZNCNVMAUWRCZOO-NEPJUHHUSA-N 2 0 252.789 2.757 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@H]1C[NH3+] ZINC000923510466 626478121 /nfs/dbraw/zinc/47/81/21/626478121.db2.gz UPKUFPQZUFVKKB-YPMHNXCESA-N 2 0 297.240 2.866 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2)CC[C@@H]1C[NH3+] ZINC000923510462 626478135 /nfs/dbraw/zinc/47/81/35/626478135.db2.gz UPKUFPQZUFVKKB-DGCLKSJQSA-N 2 0 297.240 2.866 20 0 CFADRP Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cc2c1 ZINC000923515797 626478259 /nfs/dbraw/zinc/47/82/59/626478259.db2.gz MKJMGPNXICUCKJ-DOTOQJQBSA-N 2 0 281.403 2.585 20 0 CFADRP Cc1ccc(SCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000923518267 626478497 /nfs/dbraw/zinc/47/84/97/626478497.db2.gz JZSCMRIDDYNIMT-JKSUJKDBSA-N 2 0 290.476 2.937 20 0 CFADRP CC1(C)C[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000923526928 626478519 /nfs/dbraw/zinc/47/85/19/626478519.db2.gz WCLQZPGWQROEOD-ZBFHGGJFSA-N 2 0 258.409 2.864 20 0 CFADRP C(=C/[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)\c1ccccc1 ZINC000923525978 626478606 /nfs/dbraw/zinc/47/86/06/626478606.db2.gz MBPUUCOWGOSDRO-XDIYQJDNSA-N 2 0 298.430 2.685 20 0 CFADRP CCOC(=O)CC(C)(C)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000838804139 626505904 /nfs/dbraw/zinc/50/59/04/626505904.db2.gz VBYVCTHTFSUHHQ-UHFFFAOYSA-N 2 0 298.471 2.630 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000839179827 626529779 /nfs/dbraw/zinc/52/97/79/626529779.db2.gz ADSMLBKSVDJWTC-GFCCVEGCSA-N 2 0 267.804 2.557 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2F)CC[N@@H+]1C ZINC000764924561 627106739 /nfs/dbraw/zinc/10/67/39/627106739.db2.gz CCDPMLPIXUGKLG-UONOGXRCSA-N 2 0 280.387 2.667 20 0 CFADRP COc1ccc2c(NC3CC[NH+](C)CC3)cc[nH+]c2c1 ZINC000770443234 627522307 /nfs/dbraw/zinc/52/23/07/627522307.db2.gz AJVMUWOGRJBZTI-UHFFFAOYSA-N 2 0 271.364 2.750 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000772179736 627683247 /nfs/dbraw/zinc/68/32/47/627683247.db2.gz LQFRBTXIQGPJIO-INIZCTEOSA-N 2 0 296.842 2.647 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C)C[C@@H](O)c2ccccc2)CC1 ZINC000775400967 628020907 /nfs/dbraw/zinc/02/09/07/628020907.db2.gz LWPIEXXVNHXTKP-CRAIPNDOSA-N 2 0 290.451 2.963 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000775437147 628025953 /nfs/dbraw/zinc/02/59/53/628025953.db2.gz GXQLJBHWROXKAN-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccnc(Cl)c1 ZINC000776169696 628110193 /nfs/dbraw/zinc/11/01/93/628110193.db2.gz WMQWACUYQRYNDK-NSHDSACASA-N 2 0 265.788 2.648 20 0 CFADRP C[C@@H](CSC(C)(C)C)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776170053 628110269 /nfs/dbraw/zinc/11/02/69/628110269.db2.gz YDRNTIFCGNUDKG-LBPRGKRZSA-N 2 0 256.459 2.758 20 0 CFADRP C[N@@H+](Cc1ccc(Cl)cn1)CC1CC[NH+](C)CC1 ZINC000778214829 628287935 /nfs/dbraw/zinc/28/79/35/628287935.db2.gz LJYMGVMZYMSHAQ-UHFFFAOYSA-N 2 0 267.804 2.509 20 0 CFADRP C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000779086310 628351372 /nfs/dbraw/zinc/35/13/72/628351372.db2.gz PTZGNMPWTPCBEB-YJBOKZPZSA-N 2 0 290.451 2.604 20 0 CFADRP C[C@H](CCO)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000779340972 628375654 /nfs/dbraw/zinc/37/56/54/628375654.db2.gz LJQZLJJGLUKFSN-HZPDHXFCSA-N 2 0 290.451 2.779 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@]1(C)CC1(Cl)Cl)C2 ZINC000852105360 634659044 /nfs/dbraw/zinc/65/90/44/634659044.db2.gz ASSAAGOIJSYRBL-OLZOCXBDSA-N 2 0 291.266 2.988 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c(c1)COC3)C2 ZINC000852104767 634659310 /nfs/dbraw/zinc/65/93/10/634659310.db2.gz FMMKGSXITRBNID-SFHVURJKSA-N 2 0 286.419 2.635 20 0 CFADRP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000783221831 628687978 /nfs/dbraw/zinc/68/79/78/628687978.db2.gz DHLSRAAXYGFIPQ-FZMZJTMJSA-N 2 0 259.328 2.900 20 0 CFADRP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000783221833 628688114 /nfs/dbraw/zinc/68/81/14/628688114.db2.gz DHLSRAAXYGFIPQ-SMDDNHRTSA-N 2 0 259.328 2.900 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000783222043 628688153 /nfs/dbraw/zinc/68/81/53/628688153.db2.gz FOBBIICCGHPFFA-IIDMSEBBSA-N 2 0 288.435 2.795 20 0 CFADRP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000783244693 628692012 /nfs/dbraw/zinc/69/20/12/628692012.db2.gz HTJKWWWPFSOBBY-IAQYHMDHSA-N 2 0 250.361 2.775 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000783518883 628715640 /nfs/dbraw/zinc/71/56/40/628715640.db2.gz PEKCIGWAQRIZPN-CABCVRRESA-N 2 0 270.486 2.840 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CCC[C@@H]1C ZINC000786831680 628981292 /nfs/dbraw/zinc/98/12/92/628981292.db2.gz YTVAKKVGWBQTQQ-ZOBUZTSGSA-N 2 0 276.424 2.837 20 0 CFADRP CCS[C@H]1CC[C@@H]([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000788480621 629072972 /nfs/dbraw/zinc/07/29/72/629072972.db2.gz BRPPTAQWSUZUBN-CABCVRRESA-N 2 0 270.486 2.934 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cc[nH]c(=O)c1 ZINC000788525012 629079224 /nfs/dbraw/zinc/07/92/24/629079224.db2.gz AOQRUFLSAUHCAH-HNNXBMFYSA-N 2 0 291.439 2.950 20 0 CFADRP C[C@H]1CCCN1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000795942774 629852688 /nfs/dbraw/zinc/85/26/88/629852688.db2.gz IQPAQRRGGUJEKV-HNNXBMFYSA-N 2 0 288.435 2.628 20 0 CFADRP CC[C@H]1COC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000852557273 634779511 /nfs/dbraw/zinc/77/95/11/634779511.db2.gz LNMNERDWLZYIFY-JKSUJKDBSA-N 2 0 268.445 2.657 20 0 CFADRP CCc1ccc([C@@H](O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000797014355 630003976 /nfs/dbraw/zinc/00/39/76/630003976.db2.gz BWMAQTMOEQBRFV-KSSFIOAISA-N 2 0 290.451 2.602 20 0 CFADRP Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000797060350 630011096 /nfs/dbraw/zinc/01/10/96/630011096.db2.gz LXHCWJDOCUVUSD-XOYOTBSWSA-N 2 0 288.435 2.633 20 0 CFADRP C[C@H]1C[C@H](C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CCO1 ZINC000798956999 630264234 /nfs/dbraw/zinc/26/42/34/630264234.db2.gz HHLLWGBXOSXKNO-JKSUJKDBSA-N 2 0 280.456 2.609 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000799177312 630283980 /nfs/dbraw/zinc/28/39/80/630283980.db2.gz LLOXIJICPDCRQL-QGZVFWFLSA-N 3 0 293.499 2.669 20 0 CFADRP C[C@@H](CCO)[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000800988918 630420483 /nfs/dbraw/zinc/42/04/83/630420483.db2.gz RAHCILJODKGHDX-RDJZCZTQSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000800992621 630421123 /nfs/dbraw/zinc/42/11/23/630421123.db2.gz JCPCLHDRZNPVDP-MAUKXSAKSA-N 2 0 290.451 2.657 20 0 CFADRP [NH3+]CCCCCC[NH+]1CCC(c2ccco2)CC1 ZINC000852755063 634825813 /nfs/dbraw/zinc/82/58/13/634825813.db2.gz VVTCSFJANCNLLI-UHFFFAOYSA-N 2 0 250.386 2.978 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](CCCCCC[NH3+])C2 ZINC000852759017 634827198 /nfs/dbraw/zinc/82/71/98/634827198.db2.gz IXGAHECWUYDKKX-UHFFFAOYSA-N 2 0 262.397 2.572 20 0 CFADRP Cc1nc2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2s1 ZINC000843104143 630633397 /nfs/dbraw/zinc/63/33/97/630633397.db2.gz GNICYHBCPFANJY-UHFFFAOYSA-N 2 0 275.421 2.964 20 0 CFADRP CC(C)C(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000808718898 631034551 /nfs/dbraw/zinc/03/45/51/631034551.db2.gz YHRAZVZBWYEDCJ-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1cc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000042108075 649994991 /nfs/dbraw/zinc/99/49/91/649994991.db2.gz LAGJKVFXYDDOMQ-CQSZACIVSA-N 2 0 291.443 2.536 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC1(F)F ZINC000840879816 631248761 /nfs/dbraw/zinc/24/87/61/631248761.db2.gz SZMQCCPKTBPLLT-PWSUYJOCSA-N 2 0 260.372 2.883 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H]1CC1(F)F ZINC000840879818 631249048 /nfs/dbraw/zinc/24/90/48/631249048.db2.gz SZMQCCPKTBPLLT-ZYHUDNBSSA-N 2 0 260.372 2.883 20 0 CFADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CCC=CO2)cc1 ZINC000809739053 631275002 /nfs/dbraw/zinc/27/50/02/631275002.db2.gz VRIAVMZGYADILR-QGZVFWFLSA-N 2 0 274.408 2.873 20 0 CFADRP [NH3+]CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000841009516 631304682 /nfs/dbraw/zinc/30/46/82/631304682.db2.gz PUTPMYALJAYHMC-UONOGXRCSA-N 2 0 282.453 2.765 20 0 CFADRP CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841010376 631305843 /nfs/dbraw/zinc/30/58/43/631305843.db2.gz WBMLCVITSZMRBC-JZXOWHBKSA-N 2 0 290.451 2.738 20 0 CFADRP COc1c(C)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000841029005 631310630 /nfs/dbraw/zinc/31/06/30/631310630.db2.gz DGIZYCHOBQJFLX-HOTGVXAUSA-N 2 0 276.424 2.919 20 0 CFADRP Cc1cccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000841031922 631312399 /nfs/dbraw/zinc/31/23/99/631312399.db2.gz BSGINSUZVJGIAT-UHFFFAOYSA-N 2 0 254.377 2.786 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841042671 631319584 /nfs/dbraw/zinc/31/95/84/631319584.db2.gz PKEOYZRWTPMVOQ-UHFFFAOYSA-N 2 0 278.343 2.998 20 0 CFADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000841049496 631321635 /nfs/dbraw/zinc/32/16/35/631321635.db2.gz SNASJTWZPNSIHR-SECBINFHSA-N 2 0 278.343 2.983 20 0 CFADRP COc1cccc2cc(C[NH2+]CC3(C)CC[NH2+]CC3)oc21 ZINC000841058371 631326512 /nfs/dbraw/zinc/32/65/12/631326512.db2.gz WLKSZYWHYIZXCN-UHFFFAOYSA-N 2 0 288.391 2.921 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000841057753 631326592 /nfs/dbraw/zinc/32/65/92/631326592.db2.gz NGPYJSULAIZZRN-GJZGRUSLSA-N 2 0 255.365 2.594 20 0 CFADRP CCCCCC[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000841067859 631329884 /nfs/dbraw/zinc/32/98/84/631329884.db2.gz PZLPENXNNQPRLS-HUUCEWRRSA-N 2 0 256.434 2.704 20 0 CFADRP COc1cccc2cc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)oc21 ZINC000841085146 631334065 /nfs/dbraw/zinc/33/40/65/631334065.db2.gz VPTKBBPEKVIMQD-WCQYABFASA-N 2 0 274.364 2.658 20 0 CFADRP CN(C)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000841088284 631337460 /nfs/dbraw/zinc/33/74/60/631337460.db2.gz ZHFZCHFHMHYSQP-KRWDZBQOSA-N 2 0 298.434 2.717 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)no1 ZINC000842471726 631639160 /nfs/dbraw/zinc/63/91/60/631639160.db2.gz VHXOOBBNRQJFBT-DZGCQCFKSA-N 2 0 263.385 2.510 20 0 CFADRP CC(C)CO[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000842473123 631639285 /nfs/dbraw/zinc/63/92/85/631639285.db2.gz PWNFTGJMHCDJIU-HNNXBMFYSA-N 2 0 256.434 2.643 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000842476079 631641229 /nfs/dbraw/zinc/64/12/29/631641229.db2.gz GHFAOWCCYXHJMP-INIZCTEOSA-N 2 0 268.445 2.644 20 0 CFADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000842672910 631701484 /nfs/dbraw/zinc/70/14/84/631701484.db2.gz GMELCDMDSXHFDH-UHFFFAOYSA-N 2 0 286.423 2.612 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000842762390 631732636 /nfs/dbraw/zinc/73/26/36/631732636.db2.gz FLFVTUORJATXPV-MOPGFXCFSA-N 2 0 295.430 2.825 20 0 CFADRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852609 631798543 /nfs/dbraw/zinc/79/85/43/631798543.db2.gz HWNJYIYQUZWXFX-BPQIPLTHSA-N 2 0 290.451 2.915 20 0 CFADRP C[N@H+](Cc1nc2c(s1)CCCC2)C1CCC([NH3+])CC1 ZINC000843056076 631819137 /nfs/dbraw/zinc/81/91/37/631819137.db2.gz XPJVHVRBYMIUPJ-UHFFFAOYSA-N 2 0 279.453 2.724 20 0 CFADRP C[N@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CCC([NH3+])CC1 ZINC000843056066 631819303 /nfs/dbraw/zinc/81/93/03/631819303.db2.gz WXAZPDIFIFXCBS-YIZWMMSDSA-N 2 0 295.452 2.696 20 0 CFADRP COc1cccc2cc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)oc21 ZINC000843058488 631821845 /nfs/dbraw/zinc/82/18/45/631821845.db2.gz ULRDNAMQUPWION-AAEUAGOBSA-N 2 0 274.364 2.611 20 0 CFADRP [NH3+]C1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000843105572 631836652 /nfs/dbraw/zinc/83/66/52/631836652.db2.gz WZYBYSNXERGSAL-UHFFFAOYSA-N 2 0 288.370 2.575 20 0 CFADRP c1cc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2cn1 ZINC000843118706 631839951 /nfs/dbraw/zinc/83/99/51/631839951.db2.gz NDXLGDKUXKMXBJ-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843118176 631840517 /nfs/dbraw/zinc/84/05/17/631840517.db2.gz AXGXFTTVKNWOEV-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cnc1Cl ZINC000843125630 631844822 /nfs/dbraw/zinc/84/48/22/631844822.db2.gz ZKAIZBNPQLEFCF-HUUCEWRRSA-N 2 0 293.842 2.865 20 0 CFADRP COc1cc(C)c(C[NH2+]CCCCCC[NH3+])cc1OC ZINC000843126461 631845155 /nfs/dbraw/zinc/84/51/55/631845155.db2.gz GBHBBBAJPUROJC-UHFFFAOYSA-N 2 0 280.412 2.621 20 0 CFADRP [NH3+]CCCCCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000843126205 631845673 /nfs/dbraw/zinc/84/56/73/631845673.db2.gz CPGICVRUNFTBEH-UHFFFAOYSA-N 2 0 260.303 2.713 20 0 CFADRP [NH3+]CCCCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000843127538 631846384 /nfs/dbraw/zinc/84/63/84/631846384.db2.gz DVOFUIIHFBRVAR-IRXDYDNUSA-N 2 0 275.440 2.588 20 0 CFADRP COc1ccccc1/C=C/C[NH2+]CCCCCC[NH3+] ZINC000843127299 631846766 /nfs/dbraw/zinc/84/67/66/631846766.db2.gz NQGYMBZLNOZFIM-CSKARUKUSA-N 2 0 262.397 2.817 20 0 CFADRP CCn1c(C[NH2+]CCCCCC[NH3+])nc2ccccc21 ZINC000843128993 631848325 /nfs/dbraw/zinc/84/83/25/631848325.db2.gz OACDNMBECSZDBM-UHFFFAOYSA-N 2 0 274.412 2.665 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC000843128926 631849357 /nfs/dbraw/zinc/84/93/57/631849357.db2.gz ZNXYCBBECXCZNM-BRSBDYLESA-N 2 0 294.483 2.903 20 0 CFADRP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843340006 631931195 /nfs/dbraw/zinc/93/11/95/631931195.db2.gz GRVGENPCELNZSS-BHYGNILZSA-N 2 0 287.451 2.620 20 0 CFADRP C[C@H]([NH2+]CCCCCC[NH3+])c1cccnc1Cl ZINC000843340815 631931275 /nfs/dbraw/zinc/93/12/75/631931275.db2.gz FGXREZVMGZZXSV-NSHDSACASA-N 2 0 255.793 2.905 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(C(=O)N(C)C)cc1 ZINC000843343217 631932270 /nfs/dbraw/zinc/93/22/70/631932270.db2.gz XFZSBAOMGJCVMX-CQSZACIVSA-N 2 0 291.439 2.558 20 0 CFADRP C[C@@H]([NH2+]CCCCCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000843342712 631932323 /nfs/dbraw/zinc/93/23/23/631932323.db2.gz PTMLQLLVSMRLMK-CYBMUJFWSA-N 2 0 289.423 2.741 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCCC[NH3+] ZINC000843342794 631932595 /nfs/dbraw/zinc/93/25/95/631932595.db2.gz UMPFHYDJJFDINI-HOCLYGCPSA-N 2 0 264.413 2.871 20 0 CFADRP C[N@H+](CCCc1ccsc1)C1CCC([NH3+])CC1 ZINC000843355249 631935343 /nfs/dbraw/zinc/93/53/43/631935343.db2.gz OGVFIGRYBMCGIF-UHFFFAOYSA-N 2 0 252.427 2.882 20 0 CFADRP c1ccc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843358459 631936790 /nfs/dbraw/zinc/93/67/90/631936790.db2.gz QSYJRMNGYOUZBO-RDJZCZTQSA-N 2 0 258.409 2.866 20 0 CFADRP c1c2ccccc2[nH]c1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000843358808 631937261 /nfs/dbraw/zinc/93/72/61/631937261.db2.gz QNXUZPJBHBBIPX-AWEZNQCLSA-N 2 0 283.419 2.957 20 0 CFADRP CC[C@@H]1C[N@H+](CCOC2CCCCCC2)CC[C@@H]1[NH3+] ZINC000843377859 631941211 /nfs/dbraw/zinc/94/12/11/631941211.db2.gz VURQUDKECVYMGK-ZBFHGGJFSA-N 2 0 268.445 2.785 20 0 CFADRP Clc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000843386699 631942740 /nfs/dbraw/zinc/94/27/40/631942740.db2.gz BPLVVZLQQDHXJD-CHWSQXEVSA-N 2 0 279.815 2.557 20 0 CFADRP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)C[NH+](C)C ZINC000813877465 631970908 /nfs/dbraw/zinc/97/09/08/631970908.db2.gz WOIRXFHSKNJAFO-MAUKXSAKSA-N 2 0 290.451 2.942 20 0 CFADRP [NH3+]CCCCCCC[NH+]1CCN(c2cccs2)CC1 ZINC000844220763 632136053 /nfs/dbraw/zinc/13/60/53/632136053.db2.gz AOXJKUOIRNXFAE-UHFFFAOYSA-N 2 0 281.469 2.779 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000844222009 632137824 /nfs/dbraw/zinc/13/78/24/632137824.db2.gz QFKGRYVBUVPJEN-KRWDZBQOSA-N 2 0 281.488 2.846 20 0 CFADRP c1cc2c(c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c1)CCC2 ZINC000844903181 632331722 /nfs/dbraw/zinc/33/17/22/632331722.db2.gz YTNLLHYRVSFRJK-GOSISDBHSA-N 2 0 270.420 2.751 20 0 CFADRP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000844904798 632332227 /nfs/dbraw/zinc/33/22/27/632332227.db2.gz QZDXOMJQUSCMAK-UKRRQHHQSA-N 2 0 280.387 2.579 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846033834 632619226 /nfs/dbraw/zinc/61/92/26/632619226.db2.gz BMNPLAMUNJXINH-MAUKXSAKSA-N 2 0 290.451 2.745 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846035445 632619397 /nfs/dbraw/zinc/61/93/97/632619397.db2.gz HRWXMHSAQZDAPK-YJBOKZPZSA-N 2 0 290.451 2.747 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@](C)(O)c1ccccc1 ZINC000846187804 632657263 /nfs/dbraw/zinc/65/72/63/632657263.db2.gz LIEJIHAGVHBAJL-HDMKZQKVSA-N 2 0 290.451 2.603 20 0 CFADRP [NH3+]CCCCCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000846219202 632665711 /nfs/dbraw/zinc/66/57/11/632665711.db2.gz KEJXEYWKRNFYIM-ZIAGYGMSSA-N 2 0 256.459 2.866 20 0 CFADRP COc1cccc2c1CC[N@H+](CCCCCC[NH3+])C2 ZINC000846220087 632665999 /nfs/dbraw/zinc/66/59/99/632665999.db2.gz BBLFNYGJNWQTSV-UHFFFAOYSA-N 2 0 262.397 2.572 20 0 CFADRP CCc1ccc(N2CC[NH+](CCCCCC[NH3+])CC2)cc1 ZINC000846219374 632666356 /nfs/dbraw/zinc/66/63/56/632666356.db2.gz AOLNZICMVWOMBY-UHFFFAOYSA-N 2 0 289.467 2.890 20 0 CFADRP CCOC(=O)C1([N@H+](C)CCCCCC[NH3+])CCCCC1 ZINC000846220745 632667301 /nfs/dbraw/zinc/66/73/01/632667301.db2.gz OZVUYSZRLGLXFM-UHFFFAOYSA-N 2 0 284.444 2.703 20 0 CFADRP CC[C@H]([NH2+]CCCCCC[NH3+])c1c(C)noc1C ZINC000846224518 632668938 /nfs/dbraw/zinc/66/89/38/632668938.db2.gz ZCZHXUIQYAWWKD-ZDUSSCGKSA-N 2 0 253.390 2.851 20 0 CFADRP Cc1ccc([C@H](O)C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000817894066 632719808 /nfs/dbraw/zinc/71/98/08/632719808.db2.gz XMZVTXOOXLCUNX-RYQLBKOJSA-N 2 0 290.451 2.929 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000817895323 632720412 /nfs/dbraw/zinc/72/04/12/632720412.db2.gz SWVDAUFRTSFLAU-MWODSPESSA-N 2 0 291.222 2.742 20 0 CFADRP CSC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817898296 632721768 /nfs/dbraw/zinc/72/17/68/632721768.db2.gz DYJIMSKDHYAOOV-TZMCWYRMSA-N 2 0 266.454 2.676 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000817897413 632722039 /nfs/dbraw/zinc/72/20/39/632722039.db2.gz OLWQLLOADUXIDX-PMPSAXMXSA-N 2 0 275.440 2.679 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817898814 632722904 /nfs/dbraw/zinc/72/29/04/632722904.db2.gz BGOJFPIJFADNLR-BFWZDYSYSA-N 3 0 293.499 2.761 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccccc1OC ZINC000817898987 632723051 /nfs/dbraw/zinc/72/30/51/632723051.db2.gz MUFNTXLRJJSUSI-DYEKYZERSA-N 2 0 250.386 2.862 20 0 CFADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCO2 ZINC000817900555 632724368 /nfs/dbraw/zinc/72/43/68/632724368.db2.gz NHKSMKJIZBFGFW-YGOACVGDSA-N 2 0 272.392 2.555 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000817900298 632724568 /nfs/dbraw/zinc/72/45/68/632724568.db2.gz OCXSRSIFJFUMPQ-QLFBSQMISA-N 2 0 282.815 2.623 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817901926 632724992 /nfs/dbraw/zinc/72/49/92/632724992.db2.gz ZXORKLGNQRJAMC-KBRIMQKVSA-N 2 0 294.414 2.760 20 0 CFADRP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817910795 632730182 /nfs/dbraw/zinc/73/01/82/632730182.db2.gz YIMICIYYAFDOLT-XMTFNYHQSA-N 2 0 288.435 2.539 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000817912291 632730590 /nfs/dbraw/zinc/73/05/90/632730590.db2.gz GELOEXIBHYRVLS-BZSNNMDCSA-N 2 0 282.387 2.629 20 0 CFADRP C[C@](O)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccsc1 ZINC000817914797 632731736 /nfs/dbraw/zinc/73/17/36/632731736.db2.gz ZWESRJLQBMGZRA-XHSDSOJGSA-N 2 0 288.416 2.690 20 0 CFADRP Cc1ncc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000817916446 632732092 /nfs/dbraw/zinc/73/20/92/632732092.db2.gz ZPDKFVYOFSRWFW-LSDHHAIUSA-N 2 0 273.405 2.728 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccs1 ZINC000817914754 632732276 /nfs/dbraw/zinc/73/22/76/632732276.db2.gz YUWFFIJQRVOFGC-DZKIICNBSA-N 2 0 288.416 2.690 20 0 CFADRP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCC2 ZINC000817922189 632735663 /nfs/dbraw/zinc/73/56/63/632735663.db2.gz ADDSDNAXWAFMBA-HIFRSBDPSA-N 2 0 278.444 2.949 20 0 CFADRP C[C@](O)(CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000817923601 632736414 /nfs/dbraw/zinc/73/64/14/632736414.db2.gz CYFMVXKOUDKWCD-ZACQAIPSSA-N 2 0 276.424 2.534 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)nc1 ZINC000817924366 632736938 /nfs/dbraw/zinc/73/69/38/632736938.db2.gz VGLMWTVHDWLJCO-JQWIXIFHSA-N 2 0 253.777 2.528 20 0 CFADRP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000817926999 632737985 /nfs/dbraw/zinc/73/79/85/632737985.db2.gz XMZVTXOOXLCUNX-JQHSSLGASA-N 2 0 290.451 2.929 20 0 CFADRP CCC[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H](O)c1ccccc1 ZINC000817927664 632738541 /nfs/dbraw/zinc/73/85/41/632738541.db2.gz OWWGCSSCFCBBEK-SYNTWQANSA-N 2 0 290.451 2.996 20 0 CFADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000817927216 632738746 /nfs/dbraw/zinc/73/87/46/632738746.db2.gz ZXORKLGNQRJAMC-RRQGHBQHSA-N 2 0 294.414 2.760 20 0 CFADRP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000817929449 632739481 /nfs/dbraw/zinc/73/94/81/632739481.db2.gz ICULTJIGRAKYGK-DGCLKSJQSA-N 2 0 267.804 2.651 20 0 CFADRP C[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[NH2+]1 ZINC000817936411 632741828 /nfs/dbraw/zinc/74/18/28/632741828.db2.gz JZYHYQRZHMMKHF-GMTAPVOTSA-N 2 0 265.228 2.691 20 0 CFADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCC[NH3+])ccc1OC ZINC000817938047 632742774 /nfs/dbraw/zinc/74/27/74/632742774.db2.gz CJZJCIYYGQUHQP-CQSZACIVSA-N 3 0 293.455 2.536 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1(Cl)Cl ZINC000817937627 632742900 /nfs/dbraw/zinc/74/29/00/632742900.db2.gz SUKNUSNQBMZHCZ-OUAUKWLOSA-N 2 0 265.228 2.820 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817939760 632744426 /nfs/dbraw/zinc/74/44/26/632744426.db2.gz BSXWDGLRUMQDPW-ZDUSSCGKSA-N 2 0 262.397 2.736 20 0 CFADRP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000817945435 632747523 /nfs/dbraw/zinc/74/75/23/632747523.db2.gz CRZUYBYMRIFFJA-QWHCGFSZSA-N 2 0 250.361 2.784 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1C ZINC000817945669 632748777 /nfs/dbraw/zinc/74/87/77/632748777.db2.gz JBBGVMFQYJTYDM-LSDHHAIUSA-N 2 0 276.424 2.962 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000817947729 632749708 /nfs/dbraw/zinc/74/97/08/632749708.db2.gz PKMHZGPCQRPRSZ-LOWVWBTDSA-N 2 0 267.804 2.774 20 0 CFADRP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817953326 632752845 /nfs/dbraw/zinc/75/28/45/632752845.db2.gz KNQHSGHPCODPGB-CYBMUJFWSA-N 2 0 262.397 2.660 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1C ZINC000817954089 632753671 /nfs/dbraw/zinc/75/36/71/632753671.db2.gz BKTUZZHNCDBCBZ-GJZGRUSLSA-N 2 0 276.424 2.962 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)nc1 ZINC000817959304 632757704 /nfs/dbraw/zinc/75/77/04/632757704.db2.gz FQBGEIKBTLSBET-GVXVVHGQSA-N 2 0 267.804 2.903 20 0 CFADRP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817965007 632762619 /nfs/dbraw/zinc/76/26/19/632762619.db2.gz MLWLBTAFTMRVTJ-GUYCJALGSA-N 2 0 274.408 2.662 20 0 CFADRP CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc2c(c1)CCO2 ZINC000817964217 632762714 /nfs/dbraw/zinc/76/27/14/632762714.db2.gz ZRPXOBNXKCZOLE-WFASDCNBSA-N 2 0 262.397 2.790 20 0 CFADRP CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc2c(c1)CCO2 ZINC000817964216 632763013 /nfs/dbraw/zinc/76/30/13/632763013.db2.gz ZRPXOBNXKCZOLE-SWLSCSKDSA-N 2 0 262.397 2.790 20 0 CFADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817965008 632763280 /nfs/dbraw/zinc/76/32/80/632763280.db2.gz MLWLBTAFTMRVTJ-SUMWQHHRSA-N 2 0 274.408 2.662 20 0 CFADRP CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc2c(c1)CCO2 ZINC000817968421 632767309 /nfs/dbraw/zinc/76/73/09/632767309.db2.gz SGSKMHZCRPHPTH-MRXNPFEDSA-N 2 0 272.392 2.582 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1C ZINC000817971017 632769445 /nfs/dbraw/zinc/76/94/45/632769445.db2.gz JGDCYHFADCTJAT-YCPHGPKFSA-N 2 0 276.424 2.961 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970821 632769472 /nfs/dbraw/zinc/76/94/72/632769472.db2.gz FNOWRZBKEVMSRN-YDHLFZDLSA-N 2 0 262.397 2.876 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000817976855 632774151 /nfs/dbraw/zinc/77/41/51/632774151.db2.gz VPUNGKZOVIXQIC-DOMZBBRYSA-N 2 0 262.372 2.927 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc2c(c1)CCO2 ZINC000817978073 632775102 /nfs/dbraw/zinc/77/51/02/632775102.db2.gz VHVPPUBDYDNGBT-SWLSCSKDSA-N 2 0 262.397 2.790 20 0 CFADRP COCc1cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1OC ZINC000817978016 632775546 /nfs/dbraw/zinc/77/55/46/632775546.db2.gz TZDMJWLTEANZPX-OLZOCXBDSA-N 2 0 280.412 2.620 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817981332 632777799 /nfs/dbraw/zinc/77/77/99/632777799.db2.gz RBNMAEYBPCYYJB-CZUORRHYSA-N 2 0 274.408 2.804 20 0 CFADRP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817982279 632778965 /nfs/dbraw/zinc/77/89/65/632778965.db2.gz QPYSHWKPYQWTGN-YDHLFZDLSA-N 2 0 262.397 2.863 20 0 CFADRP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817982073 632779090 /nfs/dbraw/zinc/77/90/90/632779090.db2.gz XEPBDLPTLNGKDG-DGCLKSJQSA-N 2 0 267.804 2.918 20 0 CFADRP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCC[NH2+]C1CC1 ZINC000817984224 632781087 /nfs/dbraw/zinc/78/10/87/632781087.db2.gz OXCKDYZRHKSVLX-GFCCVEGCSA-N 2 0 250.361 2.927 20 0 CFADRP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccnc1Cl ZINC000817986923 632781906 /nfs/dbraw/zinc/78/19/06/632781906.db2.gz VZWRBHYHBXVBBZ-NSHDSACASA-N 2 0 265.788 2.695 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000818966626 632917635 /nfs/dbraw/zinc/91/76/35/632917635.db2.gz LUROJCRPIUZBHQ-KRWDZBQOSA-N 2 0 282.472 2.782 20 0 CFADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000818984469 632921971 /nfs/dbraw/zinc/92/19/71/632921971.db2.gz IEEJYNJBPWDDBK-WMLDXEAASA-N 2 0 294.414 2.569 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2C)CC1 ZINC000818991082 632924981 /nfs/dbraw/zinc/92/49/81/632924981.db2.gz VUCJMDZJUMGJOA-GOSISDBHSA-N 2 0 290.451 2.740 20 0 CFADRP Cc1ccccc1[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000819081986 632957575 /nfs/dbraw/zinc/95/75/75/632957575.db2.gz MYKDPCMTYZDEEC-SJORKVTESA-N 2 0 292.467 2.984 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819182192 633001931 /nfs/dbraw/zinc/00/19/31/633001931.db2.gz KEOBEXCFVBHFBO-WMZOPIPTSA-N 2 0 290.451 2.678 20 0 CFADRP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000819220747 633024437 /nfs/dbraw/zinc/02/44/37/633024437.db2.gz REFADXZSXWETRE-MAUKXSAKSA-N 2 0 288.435 2.577 20 0 CFADRP C[C@@H](CC[NH2+]C[C@H](O)c1ccccc1)[NH+]1CCCCC1 ZINC000819231394 633029318 /nfs/dbraw/zinc/02/93/18/633029318.db2.gz VMKBGQXDMGWZHU-RDJZCZTQSA-N 2 0 276.424 2.574 20 0 CFADRP Cc1ccccc1[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000819231552 633030805 /nfs/dbraw/zinc/03/08/05/633030805.db2.gz YCXQZAQBCIQTMN-WMZOPIPTSA-N 2 0 290.451 2.883 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(Cl)nc1 ZINC000848557146 633288566 /nfs/dbraw/zinc/28/85/66/633288566.db2.gz FOMOPBZEAZWZRB-GMXVVIOVSA-N 2 0 267.804 2.726 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000848558467 633288696 /nfs/dbraw/zinc/28/86/96/633288696.db2.gz QJIQZBDHXZKLKI-SDDRHHMPSA-N 2 0 267.804 2.726 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)c1c(F)cccc1F ZINC000848719529 633324424 /nfs/dbraw/zinc/32/44/24/633324424.db2.gz IQJVDRABHVQHND-VAECKANCSA-N 2 0 298.377 2.636 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)[C@H]1CCCC[NH2+]1 ZINC000857254242 635957072 /nfs/dbraw/zinc/95/70/72/635957072.db2.gz XHWYKVQPTOLYHY-OUAUKWLOSA-N 2 0 265.228 2.691 20 0 CFADRP [NH3+]CC1CCC([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC000857253868 635957204 /nfs/dbraw/zinc/95/72/04/635957204.db2.gz UHEWAPQLQQRZMX-YVNMAJEFSA-N 2 0 265.228 2.677 20 0 CFADRP Cc1cccc(NC(=[NH2+])NCC2([NH+](C)C)CCCC2)c1 ZINC000848981325 633414703 /nfs/dbraw/zinc/41/47/03/633414703.db2.gz ZVYXARNDKIDMSW-UHFFFAOYSA-N 2 0 274.412 2.806 20 0 CFADRP C[NH+](C)C1(CNC(=[NH2+])N2CCCCCC2)CCCCC1 ZINC000848981096 633415334 /nfs/dbraw/zinc/41/53/34/633415334.db2.gz KEPXKNJEUFZZJB-UHFFFAOYSA-N 2 0 280.460 2.651 20 0 CFADRP CC1CC[NH+](CCCCNC(=[NH2+])NC2CCCC2)CC1 ZINC000848989480 633419176 /nfs/dbraw/zinc/41/91/76/633419176.db2.gz UEOPSVVEMJUWGZ-UHFFFAOYSA-N 2 0 280.460 2.555 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000848996395 633452468 /nfs/dbraw/zinc/45/24/68/633452468.db2.gz RHUMHJUCXVJSID-NSHDSACASA-N 2 0 296.365 2.631 20 0 CFADRP Cc1cccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925486560 633786779 /nfs/dbraw/zinc/78/67/79/633786779.db2.gz RNDSJYJZGJMRTL-QGZVFWFLSA-N 2 0 269.392 2.960 20 0 CFADRP Cc1c[nH]c(C[NH2+]CCCCCCC[NH+]2CCCC2)n1 ZINC000850119761 633848167 /nfs/dbraw/zinc/84/81/67/633848167.db2.gz RQYQSHQMMMPGJH-UHFFFAOYSA-N 2 0 278.444 2.854 20 0 CFADRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ccc(-c2ccccc2)n1 ZINC000109316529 633972140 /nfs/dbraw/zinc/97/21/40/633972140.db2.gz SZNGZRGFJJPFGV-UHFFFAOYSA-N 2 0 298.434 2.781 20 0 CFADRP C([NH2+][C@@H]1CCC12CCOCC2)C1CC[NH+](CC2CC2)CC1 ZINC000850581256 634060406 /nfs/dbraw/zinc/06/04/06/634060406.db2.gz DYSGFRYTXOYDAI-QGZVFWFLSA-N 2 0 292.467 2.657 20 0 CFADRP CCC[N@H+](CCC1SCCS1)C1CC[NH2+]CC1 ZINC000853023089 634879325 /nfs/dbraw/zinc/87/93/25/634879325.db2.gz NBNAXWJKTSSAAG-UHFFFAOYSA-N 2 0 274.499 2.647 20 0 CFADRP C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C1SCCS1 ZINC000853022767 634879922 /nfs/dbraw/zinc/87/99/22/634879922.db2.gz DZKKQAXAOBUHBT-CYBMUJFWSA-N 2 0 286.510 2.504 20 0 CFADRP C[C@@H]1CCC[N@H+](CCC2SCCS2)[C@@H]1CC[NH3+] ZINC000853022871 634879936 /nfs/dbraw/zinc/87/99/36/634879936.db2.gz GLSYYEPDHLRCIV-VXGBXAGGSA-N 2 0 274.499 2.632 20 0 CFADRP C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853242008 634949262 /nfs/dbraw/zinc/94/92/62/634949262.db2.gz YXEKIWVAOJBINC-SJORKVTESA-N 2 0 292.467 2.657 20 0 CFADRP FC(F)Sc1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000853246892 634950709 /nfs/dbraw/zinc/95/07/09/634950709.db2.gz VYKHORQFVBCLRI-UHFFFAOYSA-N 2 0 284.375 2.843 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc2c(c1)CCCO2 ZINC000853250079 634951586 /nfs/dbraw/zinc/95/15/86/634951586.db2.gz ZSSLNZAVFCVDKF-UWTIGNOOSA-N 2 0 274.408 2.932 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc2ccccc21 ZINC000854221101 635261850 /nfs/dbraw/zinc/26/18/50/635261850.db2.gz GRVQMTRJWBGODY-KFKAGJAMSA-N 2 0 298.430 2.980 20 0 CFADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)CCCO2 ZINC000854233104 635268417 /nfs/dbraw/zinc/26/84/17/635268417.db2.gz XOZYIUVHPPQKKY-QIXHYMPYSA-N 2 0 286.419 2.945 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857065224 635922970 /nfs/dbraw/zinc/92/29/70/635922970.db2.gz KSHYPCJFAKFUQL-CKYFFXLPSA-N 2 0 277.239 2.643 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857845740 636030896 /nfs/dbraw/zinc/03/08/96/636030896.db2.gz RDNBJGGNADCBJW-ZFWWWQNUSA-N 2 0 278.444 2.887 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccnc(F)c2)C1 ZINC000858098055 636123968 /nfs/dbraw/zinc/12/39/68/636123968.db2.gz FZENSGGHEOETON-CQSZACIVSA-N 2 0 279.403 2.822 20 0 CFADRP C[C@@H](COc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858115578 636131787 /nfs/dbraw/zinc/13/17/87/636131787.db2.gz MHKXEEVEIFRKAC-LSDHHAIUSA-N 2 0 276.424 2.916 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1ccccc1 ZINC000858165635 636146207 /nfs/dbraw/zinc/14/62/07/636146207.db2.gz WDVYLZREZZZMAV-IMJJTQAJSA-N 2 0 276.424 2.571 20 0 CFADRP CC[NH+](CC)[C@H](CNc1cc[nH+]c(CO)c1)CC(C)C ZINC000858337135 636196792 /nfs/dbraw/zinc/19/67/92/636196792.db2.gz AKVHMHIRRFXMKG-INIZCTEOSA-N 2 0 279.428 2.742 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]c(CO)c1 ZINC000858350921 636203121 /nfs/dbraw/zinc/20/31/21/636203121.db2.gz CRZIBUYUHNAWNX-AWEZNQCLSA-N 2 0 277.412 2.640 20 0 CFADRP C[C@@H]1C[C@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858444461 636243488 /nfs/dbraw/zinc/24/34/88/636243488.db2.gz WWIDQDDELPPKNS-PBHICJAKSA-N 2 0 297.402 2.649 20 0 CFADRP C[C@H]1C[C@@H](Nc2cc[nH+]c(CO)c2)C[N@@H+]1Cc1ccccc1 ZINC000858444463 636243616 /nfs/dbraw/zinc/24/36/16/636243616.db2.gz WWIDQDDELPPKNS-WMLDXEAASA-N 2 0 297.402 2.649 20 0 CFADRP C[NH+]1CCC(C[NH2+]CCc2cccc3cccnc32)CC1 ZINC000159251433 650252065 /nfs/dbraw/zinc/25/20/65/650252065.db2.gz RSUSSJDJPWZGOF-UHFFFAOYSA-N 2 0 283.419 2.709 20 0 CFADRP CO[C@H](C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CCC1 ZINC000859212649 636507177 /nfs/dbraw/zinc/50/71/77/636507177.db2.gz ISJPAOJNEDPAPO-GOSISDBHSA-N 2 0 290.451 2.995 20 0 CFADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000859280810 636530026 /nfs/dbraw/zinc/53/00/26/636530026.db2.gz KZHFJFSBIICEOC-LBPRGKRZSA-N 2 0 290.798 2.848 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(F)nc1 ZINC000188991900 650355403 /nfs/dbraw/zinc/35/54/03/650355403.db2.gz SBFIUBZVZJFSQI-CQSZACIVSA-N 2 0 279.403 2.965 20 0 CFADRP C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)C1C[NH2+]C1 ZINC000863548886 637693220 /nfs/dbraw/zinc/69/32/20/637693220.db2.gz UPDWELRGSHZLDK-XPTSAGLGSA-N 2 0 250.773 2.525 20 0 CFADRP c1ccc([C@@H]2C[C@H]3C[N@@H+](C[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000863557406 637695993 /nfs/dbraw/zinc/69/59/93/637695993.db2.gz NMNUAHSJXMFBKW-LEUOFYLZSA-N 2 0 270.420 2.722 20 0 CFADRP C[NH+](C)[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C12CCC2 ZINC000864090278 637870354 /nfs/dbraw/zinc/87/03/54/637870354.db2.gz DVHGYGYPJYGDAZ-CHWSQXEVSA-N 2 0 299.340 2.807 20 0 CFADRP CCOc1cc(F)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000865411861 638318755 /nfs/dbraw/zinc/31/87/55/638318755.db2.gz INDZKBHBEFTUTG-ZDUSSCGKSA-N 2 0 292.398 2.798 20 0 CFADRP CCOc1cc(F)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000865411860 638319287 /nfs/dbraw/zinc/31/92/87/638319287.db2.gz INDZKBHBEFTUTG-CYBMUJFWSA-N 2 0 292.398 2.798 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865451268 638343286 /nfs/dbraw/zinc/34/32/86/638343286.db2.gz LBJWWIIPNPNQEZ-UHFFFAOYSA-N 2 0 285.794 2.696 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865475994 638363437 /nfs/dbraw/zinc/36/34/37/638363437.db2.gz IJAKQWRRUWDAAN-NSHDSACASA-N 2 0 287.329 2.665 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865523175 638394181 /nfs/dbraw/zinc/39/41/81/638394181.db2.gz DMQXIPCDBVITDD-UHFFFAOYSA-N 2 0 285.794 2.696 20 0 CFADRP Fc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cnc1Cl ZINC000865545305 638411399 /nfs/dbraw/zinc/41/13/99/638411399.db2.gz GOQPYVIHTXINBT-UHFFFAOYSA-N 2 0 297.805 2.838 20 0 CFADRP Cn1ccnc1[C@H]1CCN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865642493 638482427 /nfs/dbraw/zinc/48/24/27/638482427.db2.gz YJIYOLCPURIPJX-JTQLQIEISA-N 2 0 296.296 2.828 20 0 CFADRP C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000120695205 638525910 /nfs/dbraw/zinc/52/59/10/638525910.db2.gz FXFZVBLPCTZVKZ-RVKKMQEKSA-N 2 0 290.451 2.819 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000865716929 638531529 /nfs/dbraw/zinc/53/15/29/638531529.db2.gz IMDKRSCXHCOIMK-ROUUACIJSA-N 3 0 293.499 2.713 20 0 CFADRP CCc1ncc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cn1 ZINC000865717151 638532320 /nfs/dbraw/zinc/53/23/20/638532320.db2.gz QPITWLMCASMJSF-UHFFFAOYSA-N 2 0 290.455 2.639 20 0 CFADRP c1n[nH]cc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717399 638532649 /nfs/dbraw/zinc/53/26/49/638532649.db2.gz BSAYLBIQIRFCQY-UHFFFAOYSA-N 2 0 298.434 2.802 20 0 CFADRP c1ccc(C[NH+]2CCC(CC[NH2+][C@H]3CCOC3)CC2)cc1 ZINC000865717531 638532816 /nfs/dbraw/zinc/53/28/16/638532816.db2.gz CZPRPVOUZKCFCI-SFHVURJKSA-N 2 0 288.435 2.667 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C(C)(C)[C@@H]2CCCCO2)CC1(C)C ZINC000865744547 638548238 /nfs/dbraw/zinc/54/82/38/638548238.db2.gz ZFIMIDTVEKVAOR-KBPBESRZSA-N 2 0 268.445 2.797 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000865764688 638562018 /nfs/dbraw/zinc/56/20/18/638562018.db2.gz LQMNJKXIUVCFEI-UHFFFAOYSA-N 2 0 286.423 2.915 20 0 CFADRP COc1cncc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1C ZINC000865764926 638562113 /nfs/dbraw/zinc/56/21/13/638562113.db2.gz RVLVXCZSKNZZLJ-UHFFFAOYSA-N 2 0 291.439 2.751 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865764714 638562507 /nfs/dbraw/zinc/56/25/07/638562507.db2.gz MUEDMLGLOMABBL-UHFFFAOYSA-N 2 0 276.428 2.571 20 0 CFADRP CC[C@@H](C[C@H](C)O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000865873704 638633482 /nfs/dbraw/zinc/63/34/82/638633482.db2.gz HAMLHCXUWKZVGS-GJZGRUSLSA-N 2 0 282.472 2.923 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866211126 638771449 /nfs/dbraw/zinc/77/14/49/638771449.db2.gz GTAXAGYCFDZOKT-HZPDHXFCSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866211757 638771459 /nfs/dbraw/zinc/77/14/59/638771459.db2.gz LSCQCFNFAIUKFJ-HNNXBMFYSA-N 2 0 263.429 2.724 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866378129 638809655 /nfs/dbraw/zinc/80/96/55/638809655.db2.gz MPMCAAKURPDPMY-BACDZXNISA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)CC1(C)OCCO1 ZINC000866425368 638819056 /nfs/dbraw/zinc/81/90/56/638819056.db2.gz UEHXSMPYWUMDKZ-AWEZNQCLSA-N 2 0 298.471 2.628 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467940 638826012 /nfs/dbraw/zinc/82/60/12/638826012.db2.gz VALFNLDJOAOXSH-WMZOPIPTSA-N 3 0 295.515 2.817 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000866467229 638826043 /nfs/dbraw/zinc/82/60/43/638826043.db2.gz ANHGGSMURFNBTI-INIZCTEOSA-N 2 0 292.471 2.762 20 0 CFADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866467349 638826197 /nfs/dbraw/zinc/82/61/97/638826197.db2.gz FHHJHFQIVLRFDM-CQSZACIVSA-N 2 0 292.471 2.890 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)[C@H]1CCOC1 ZINC000866467894 638826293 /nfs/dbraw/zinc/82/62/93/638826293.db2.gz TYBRSEGWEQIYTF-DLBZAZTESA-N 2 0 282.472 2.902 20 0 CFADRP Cc1nccnc1[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468271 638826578 /nfs/dbraw/zinc/82/65/78/638826578.db2.gz DGCJVCYCKWZFEO-AWEZNQCLSA-N 2 0 290.455 2.946 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000866468302 638826614 /nfs/dbraw/zinc/82/66/14/638826614.db2.gz DOLDBPLWVBLYRB-GOEBONIOSA-N 2 0 290.455 2.989 20 0 CFADRP C[NH+](C)C1(C)CCC([NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000866516582 638834378 /nfs/dbraw/zinc/83/43/78/638834378.db2.gz CVAQHTGLBKEJJC-NNCLKIPCSA-N 3 0 293.499 2.712 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@]1(C)CCCO1 ZINC000866516839 638834526 /nfs/dbraw/zinc/83/45/26/638834526.db2.gz DAMSTKOXQUOIGO-LMPOIIKSSA-N 2 0 268.445 2.797 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)[C@@H]2CCC[C@@H]21 ZINC000866532993 638836909 /nfs/dbraw/zinc/83/69/09/638836909.db2.gz YYASZIGJZWEFHS-QAETUUGQSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCSCCC(F)(F)F)CC[N@@H+]1C ZINC000866543706 638839785 /nfs/dbraw/zinc/83/97/85/638839785.db2.gz UWUIIPGFNYZZBN-GHMZBOCLSA-N 2 0 284.391 2.744 20 0 CFADRP CC1(C)[C@H]([NH3+])c2ccccc2N1CCCCCC[NH3+] ZINC000866701848 638867701 /nfs/dbraw/zinc/86/77/01/638867701.db2.gz OWGGZBCWYLJFHM-OAHLLOKOSA-N 2 0 261.413 2.804 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704232 638867994 /nfs/dbraw/zinc/86/79/94/638867994.db2.gz RWJFHRNKVVAJAB-KBPBESRZSA-N 2 0 256.459 2.581 20 0 CFADRP [NH3+]CCCCCCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704241 638868313 /nfs/dbraw/zinc/86/83/13/638868313.db2.gz RWJFHRNKVVAJAB-UONOGXRCSA-N 2 0 256.459 2.581 20 0 CFADRP Cc1cnccc1C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709057 638868810 /nfs/dbraw/zinc/86/88/10/638868810.db2.gz PAGDAHMIYFUFPK-INIZCTEOSA-N 2 0 261.413 2.587 20 0 CFADRP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707375 638869083 /nfs/dbraw/zinc/86/90/83/638869083.db2.gz NELOJKLQIKQFBY-BBRMVZONSA-N 2 0 261.413 2.840 20 0 CFADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCc2cccs2)C1 ZINC000866708156 638869164 /nfs/dbraw/zinc/86/91/64/638869164.db2.gz XXLZITGCMUSPAB-HNNXBMFYSA-N 2 0 266.454 2.988 20 0 CFADRP C[NH2+]CCC[N@@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC000866717312 638870049 /nfs/dbraw/zinc/87/00/49/638870049.db2.gz BHIQQBJMPBPVHY-HNNXBMFYSA-N 2 0 276.424 2.874 20 0 CFADRP CC(C)C[N@H+](CCC1CC[NH2+]CC1)CC1CC[NH+](C)CC1 ZINC000866718118 638870099 /nfs/dbraw/zinc/87/00/99/638870099.db2.gz WZUBZWUSDMISAD-UHFFFAOYSA-N 3 0 295.515 2.676 20 0 CFADRP C[C@H]([NH2+]CCc1ccc(Cl)nc1)C1CC[NH+](C)CC1 ZINC000122846226 639476225 /nfs/dbraw/zinc/47/62/25/639476225.db2.gz JOBTVWQVETXEBZ-LBPRGKRZSA-N 2 0 281.831 2.597 20 0 CFADRP Cc1ccc(OCC[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000123664364 641343659 /nfs/dbraw/zinc/34/36/59/641343659.db2.gz YGADINMXTQMRNK-INIZCTEOSA-N 2 0 264.413 2.679 20 0 CFADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000872021896 641551990 /nfs/dbraw/zinc/55/19/90/641551990.db2.gz FTGCLPWCJUCRQV-ULQDDVLXSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H](CC1CCCCC1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000872035648 641567542 /nfs/dbraw/zinc/56/75/42/641567542.db2.gz XVNNTHJZNHVLMK-AEFFLSMTSA-N 2 0 295.515 2.961 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCOC2(CCCC2)C1)C1CC1 ZINC000872077844 641610620 /nfs/dbraw/zinc/61/06/20/641610620.db2.gz MLLSJDREQCRQSZ-OAHLLOKOSA-N 2 0 280.456 2.942 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(O)c1F ZINC000872080765 641614621 /nfs/dbraw/zinc/61/46/21/641614621.db2.gz ZLJRKLLGFSCGOK-CHWSQXEVSA-N 2 0 280.387 2.914 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000872088893 641622731 /nfs/dbraw/zinc/62/27/31/641622731.db2.gz WJFJJDKZSYOCEZ-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP COCC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000872104603 641635535 /nfs/dbraw/zinc/63/55/35/641635535.db2.gz KMEUSPIPCKQEJM-ZDUSSCGKSA-N 2 0 256.434 2.512 20 0 CFADRP c1cnc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000872124407 641652508 /nfs/dbraw/zinc/65/25/08/641652508.db2.gz MTPBMOLDPJCVRL-HOTGVXAUSA-N 2 0 281.403 2.951 20 0 CFADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000872143413 641670725 /nfs/dbraw/zinc/67/07/25/641670725.db2.gz RXMSJXJXLMJDGT-OAGGEKHMSA-N 2 0 280.456 2.513 20 0 CFADRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H]1CC2(CCC2)CO1 ZINC000872143928 641671201 /nfs/dbraw/zinc/67/12/01/641671201.db2.gz RNKGOQMYTVFGEI-QGZVFWFLSA-N 2 0 288.435 2.797 20 0 CFADRP c1ccc2c(c1)CC[C@@]21CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000872146291 641673468 /nfs/dbraw/zinc/67/34/68/641673468.db2.gz KBZFPRHYSFRTMA-QAPCUYQASA-N 2 0 270.420 2.576 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000872146836 641674253 /nfs/dbraw/zinc/67/42/53/641674253.db2.gz YVSNRHXPGBDBQG-UHFFFAOYSA-N 3 0 293.499 2.717 20 0 CFADRP [NH3+]C[C@H]1C[N@H+](CCCc2ccsc2)C[C@H]1C(F)(F)F ZINC000872151187 641674274 /nfs/dbraw/zinc/67/42/74/641674274.db2.gz JHEDAUBCWJKWHO-NWDGAFQWSA-N 2 0 292.370 2.750 20 0 CFADRP c1ccc2c(c1)CC[C@@]21CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000872146540 641674315 /nfs/dbraw/zinc/67/43/15/641674315.db2.gz QFKQBIPVZVKFKV-SFHVURJKSA-N 2 0 270.420 2.576 20 0 CFADRP CC1([NH+]2CCCCC2)CC[NH+](CCCCCC[NH3+])CC1 ZINC000872146121 641674510 /nfs/dbraw/zinc/67/45/10/641674510.db2.gz GGJPEBSCXOABCA-UHFFFAOYSA-N 3 0 281.488 2.846 20 0 CFADRP CC(C)c1cc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000872146370 641674700 /nfs/dbraw/zinc/67/47/00/641674700.db2.gz MIICPGSCAFKZKS-HUUCEWRRSA-N 2 0 290.455 2.712 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1ccc2c(c1)COC2 ZINC000872155393 641675198 /nfs/dbraw/zinc/67/51/98/641675198.db2.gz MOLCNPTVTFDONH-UHFFFAOYSA-N 2 0 262.397 2.668 20 0 CFADRP C[N@H+](CCCCCC[NH3+])CCC(=O)Nc1ccccc1F ZINC000872155219 641675344 /nfs/dbraw/zinc/67/53/44/641675344.db2.gz OFRGXNGFZNKXRV-UHFFFAOYSA-N 2 0 295.402 2.605 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCc3c1cccc3Cl)C2 ZINC000872154246 641675740 /nfs/dbraw/zinc/67/57/40/641675740.db2.gz OWHSIHPQTVKELP-KNXALSJPSA-N 2 0 276.811 2.869 20 0 CFADRP C[C@H]1C[N@H+](CCCCCC[NH3+])CC[C@@H](C(F)(F)F)O1 ZINC000872154774 641676105 /nfs/dbraw/zinc/67/61/05/641676105.db2.gz YNJSYNVAMVNJMK-RYUDHWBXSA-N 2 0 282.350 2.547 20 0 CFADRP Cc1ccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])cc1C ZINC000872155425 641676256 /nfs/dbraw/zinc/67/62/56/641676256.db2.gz RKDUZHPZIYWSFN-UHFFFAOYSA-N 2 0 291.439 2.693 20 0 CFADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCn2cccn2)C1)C1CCCC1 ZINC000872157294 641677472 /nfs/dbraw/zinc/67/74/72/641677472.db2.gz OIPSJVDXNFQMKX-DOTOQJQBSA-N 2 0 290.455 2.503 20 0 CFADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCCCC[NH3+] ZINC000872155791 641677711 /nfs/dbraw/zinc/67/77/11/641677711.db2.gz ZKRUUGKMPSEFMA-PMPSAXMXSA-N 2 0 297.487 2.521 20 0 CFADRP COC(=O)c1cc(C[N@H+](C)CCCCCC[NH3+])ccc1C ZINC000872158501 641678607 /nfs/dbraw/zinc/67/86/07/641678607.db2.gz VSRRSXJRHIALBC-UHFFFAOYSA-N 2 0 292.423 2.733 20 0 CFADRP Cn1nccc1C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158635 641679595 /nfs/dbraw/zinc/67/95/95/641679595.db2.gz WKKYJWLRASTMRK-WMLDXEAASA-N 2 0 290.455 2.540 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282034 641738773 /nfs/dbraw/zinc/73/87/73/641738773.db2.gz ZPJSTQLLGRLFOG-RDJZCZTQSA-N 2 0 280.456 2.894 20 0 CFADRP CCC[NH+]1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872395701 641791135 /nfs/dbraw/zinc/79/11/35/641791135.db2.gz ZOGAIGNDUGWJFA-UHFFFAOYSA-N 2 0 259.397 2.667 20 0 CFADRP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]cc3C3CC3)CC[C@@H]21 ZINC000872484539 641828673 /nfs/dbraw/zinc/82/86/73/641828673.db2.gz FYUBJEWUDGRTML-HOCLYGCPSA-N 2 0 271.408 2.880 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2cccc3ncccc23)CC1 ZINC000873100974 642014498 /nfs/dbraw/zinc/01/44/98/642014498.db2.gz KPRWROVVCFVADO-UHFFFAOYSA-N 2 0 267.376 2.586 20 0 CFADRP CC(C)CO[C@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206833 642066914 /nfs/dbraw/zinc/06/69/14/642066914.db2.gz MCQMWNPBQRRLPD-AWEZNQCLSA-N 2 0 294.464 2.641 20 0 CFADRP C[N@H+](CCC1CCOCC1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205634 642067905 /nfs/dbraw/zinc/06/79/05/642067905.db2.gz QNRGDNSUSAABGM-UHFFFAOYSA-N 2 0 294.464 2.642 20 0 CFADRP C[NH2+]Cc1cccc(NCc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873210482 642068889 /nfs/dbraw/zinc/06/88/89/642068889.db2.gz HRYNUWKRAMRTQX-UHFFFAOYSA-N 2 0 287.432 2.725 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)C1CC[NH2+]CC1 ZINC000873219869 642072956 /nfs/dbraw/zinc/07/29/56/642072956.db2.gz ANQDRURVRGVFCW-GFCCVEGCSA-N 2 0 287.382 2.852 20 0 CFADRP C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000873219907 642073033 /nfs/dbraw/zinc/07/30/33/642073033.db2.gz BGKKSNFZAYECMD-CQSZACIVSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220357 642073693 /nfs/dbraw/zinc/07/36/93/642073693.db2.gz LGANUIMHLQZNQT-OAHLLOKOSA-N 2 0 298.434 2.658 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1CC[NH2+]CC1 ZINC000873221029 642073706 /nfs/dbraw/zinc/07/37/06/642073706.db2.gz XWEHAXRQFGMBDA-JTQLQIEISA-N 2 0 270.779 2.957 20 0 CFADRP C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000873220233 642073716 /nfs/dbraw/zinc/07/37/16/642073716.db2.gz HOJYDMNDWGLUPY-CQSZACIVSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)C1CC[NH2+]CC1 ZINC000873220190 642074216 /nfs/dbraw/zinc/07/42/16/642074216.db2.gz GQYWUPULRKEGEP-GFCCVEGCSA-N 2 0 298.377 2.808 20 0 CFADRP COc1ccccc1/C=C/C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222160 642075263 /nfs/dbraw/zinc/07/52/63/642075263.db2.gz CQSUPLJYYCHLGX-DYLGSBMWSA-N 2 0 274.408 2.686 20 0 CFADRP C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH2+]CC1 ZINC000873222420 642075278 /nfs/dbraw/zinc/07/52/78/642075278.db2.gz RMHKVTQPSIZWMB-ZDUSSCGKSA-N 2 0 288.435 2.878 20 0 CFADRP CSc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873222019 642075477 /nfs/dbraw/zinc/07/54/77/642075477.db2.gz WZSPTJYSYRFUNJ-GFCCVEGCSA-N 2 0 264.438 2.886 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)C1CC[NH2+]CC1 ZINC000873222099 642075567 /nfs/dbraw/zinc/07/55/67/642075567.db2.gz ZIXZHHDXHWMQRN-LLVKDONJSA-N 2 0 284.350 2.766 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c2ccccc12 ZINC000873226994 642080005 /nfs/dbraw/zinc/08/00/05/642080005.db2.gz AXIFDECJCYKVBN-HNAYVOBHSA-N 2 0 296.414 2.890 20 0 CFADRP C[C@H](C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2)Cc1ccccc1 ZINC000873231134 642084135 /nfs/dbraw/zinc/08/41/35/642084135.db2.gz IPFWVIPVRKWVKA-BHYGNILZSA-N 2 0 258.409 2.739 20 0 CFADRP CC(C)n1nccc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232242 642085664 /nfs/dbraw/zinc/08/56/64/642085664.db2.gz CXOUTHRZDSLNBT-MRXNPFEDSA-N 2 0 290.455 2.866 20 0 CFADRP C[N@H+](CCCCCC[NH3+])Cc1cccc2c1OCCCO2 ZINC000873231321 642085797 /nfs/dbraw/zinc/08/57/97/642085797.db2.gz FZBDASPGSUXZCA-UHFFFAOYSA-N 2 0 292.423 2.799 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)nc1 ZINC000873233082 642086566 /nfs/dbraw/zinc/08/65/66/642086566.db2.gz ZMGKTBXSOPXHFC-MRXNPFEDSA-N 2 0 273.424 2.792 20 0 CFADRP [NH3+][C@H](CC[NH2+][C@@H]1CC[C@H]1C1CC1)Cc1ccccc1 ZINC000873233906 642086770 /nfs/dbraw/zinc/08/67/70/642086770.db2.gz AWHIJLVUGABBCY-IXDOHACOSA-N 2 0 258.409 2.725 20 0 CFADRP c1cc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c2c(c1)C[NH2+]CC2 ZINC000873236624 642088477 /nfs/dbraw/zinc/08/84/77/642088477.db2.gz YPSRVIGBXBDGOG-DLBZAZTESA-N 2 0 256.393 2.611 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](C(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000873241616 642091067 /nfs/dbraw/zinc/09/10/67/642091067.db2.gz HPGFWCCNDXGYHT-SJORKVTESA-N 3 0 281.488 2.617 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000873241502 642091121 /nfs/dbraw/zinc/09/11/21/642091121.db2.gz DSOQOJKKBOUPMD-ZJIFWQFVSA-N 2 0 292.467 2.702 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)CCCS2 ZINC000873248628 642096191 /nfs/dbraw/zinc/09/61/91/642096191.db2.gz CBHIXEGMOWJZQB-ZOWXZIJZSA-N 2 0 292.448 2.949 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000873250478 642096630 /nfs/dbraw/zinc/09/66/30/642096630.db2.gz GBAFXOPVIVJSRR-RVMXOQNASA-N 2 0 276.346 2.861 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCSCCC(F)(F)F ZINC000873250503 642097161 /nfs/dbraw/zinc/09/71/61/642097161.db2.gz GCAJIYHENQYXHQ-QWRGUYRKSA-N 2 0 284.391 2.779 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])C(F)(F)F ZINC000873251342 642097624 /nfs/dbraw/zinc/09/76/24/642097624.db2.gz WDSXTGHYCUBDNA-GRYCIOLGSA-N 2 0 296.377 2.697 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251215 642098070 /nfs/dbraw/zinc/09/80/70/642098070.db2.gz KMJSMTMEPPBKPM-BZPMIXESSA-N 2 0 264.438 2.666 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000873253436 642098910 /nfs/dbraw/zinc/09/89/10/642098910.db2.gz XNMKGRDVDHOOTB-ZDEQEGDKSA-N 2 0 276.346 2.991 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1nc2ccc(Cl)cc2n1C ZINC000873253089 642099159 /nfs/dbraw/zinc/09/91/59/642099159.db2.gz ZEVCWZYEMUBATI-FOGDFJRCSA-N 2 0 292.814 2.615 20 0 CFADRP Cc1ccc(C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)C(C)C)cc1 ZINC000873252650 642099323 /nfs/dbraw/zinc/09/93/23/642099323.db2.gz USFQDHJXPPMSQE-IXDOHACOSA-N 2 0 260.425 2.889 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873253744 642099922 /nfs/dbraw/zinc/09/99/22/642099922.db2.gz DJMFSTVLYHCKDD-SFDCQRBFSA-N 2 0 262.397 2.514 20 0 CFADRP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255083 642100935 /nfs/dbraw/zinc/10/09/35/642100935.db2.gz CSLQSNNOZFFYDR-CENBSLRLSA-N 2 0 262.372 2.776 20 0 CFADRP CSc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000873255396 642101107 /nfs/dbraw/zinc/10/11/07/642101107.db2.gz FTUNOZOQTKCZBZ-NHCYSSNCSA-N 2 0 268.401 2.936 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC000873255767 642101812 /nfs/dbraw/zinc/10/18/12/642101812.db2.gz JXQIVFCKZQJDJQ-MPESAESLSA-N 2 0 262.372 2.789 20 0 CFADRP Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000873256350 642101847 /nfs/dbraw/zinc/10/18/47/642101847.db2.gz LZLFCNLMSXZCRG-JQFCIGGWSA-N 2 0 258.409 2.643 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000873256914 642102501 /nfs/dbraw/zinc/10/25/01/642102501.db2.gz QWHAQLUQKQHAEL-BREBYQMCSA-N 2 0 283.213 2.837 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000873257023 642102732 /nfs/dbraw/zinc/10/27/32/642102732.db2.gz DAMYWICHLFBNTP-GAJTVXKRSA-N 2 0 250.773 2.654 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(OC(F)F)cc1 ZINC000873257172 642102737 /nfs/dbraw/zinc/10/27/37/642102737.db2.gz FAMIBGTVGRUQDJ-CKYFFXLPSA-N 2 0 270.323 2.676 20 0 CFADRP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000873256480 642102752 /nfs/dbraw/zinc/10/27/52/642102752.db2.gz MXGYXPGICXVUQB-GAFUQQFSSA-N 2 0 299.340 2.805 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000873256976 642102772 /nfs/dbraw/zinc/10/27/72/642102772.db2.gz CEFQSFOWWOHOPV-CIUDSAMLSA-N 2 0 289.242 2.899 20 0 CFADRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1OCC ZINC000873258828 642103266 /nfs/dbraw/zinc/10/32/66/642103266.db2.gz VPVUVGRFESZOHD-YDHLFZDLSA-N 2 0 292.423 2.872 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258221 642103368 /nfs/dbraw/zinc/10/33/68/642103368.db2.gz YEKYCGJPGISLIT-MPKXVKKWSA-N 2 0 252.789 2.598 20 0 CFADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873258577 642103715 /nfs/dbraw/zinc/10/37/15/642103715.db2.gz SGWBCRNTTXPTKG-CKYFFXLPSA-N 2 0 268.788 2.737 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000873257705 642103732 /nfs/dbraw/zinc/10/37/32/642103732.db2.gz WWAPRESQLINUMT-CWSCBRNRSA-N 2 0 266.385 2.690 20 0 CFADRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccnc(Cl)c1 ZINC000873259509 642104139 /nfs/dbraw/zinc/10/41/39/642104139.db2.gz GCMVZXBJTKFKTG-VTPLQMEGSA-N 2 0 279.815 2.916 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260232 642105224 /nfs/dbraw/zinc/10/52/24/642105224.db2.gz WBJPHVYWSVAJAQ-QIJZBDPFSA-N 2 0 276.399 2.877 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260893 642105238 /nfs/dbraw/zinc/10/52/38/642105238.db2.gz JNNCLTVJQUWLTJ-YGTYDBBMSA-N 2 0 288.435 2.883 20 0 CFADRP Cc1nc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)s1 ZINC000873263833 642107148 /nfs/dbraw/zinc/10/71/48/642107148.db2.gz LIOXHEHDQXHZLC-WBMYTEFPSA-N 2 0 279.453 2.941 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264133 642107153 /nfs/dbraw/zinc/10/71/53/642107153.db2.gz OFLZFEQGBSLNHB-APIJFGDWSA-N 2 0 259.397 2.571 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CC[NH2+]CC1 ZINC000873269246 642111785 /nfs/dbraw/zinc/11/17/85/642111785.db2.gz OEGLIRUSFNCZEX-QFWMXSHPSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccnn1-c1ccccc1 ZINC000873270695 642112506 /nfs/dbraw/zinc/11/25/06/642112506.db2.gz AGBGFFONZJWIFY-LSDHHAIUSA-N 2 0 298.434 2.911 20 0 CFADRP CCC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccnc1 ZINC000873271220 642112860 /nfs/dbraw/zinc/11/28/60/642112860.db2.gz FWJRCUQGGCYJOG-XJKSGUPXSA-N 2 0 261.413 2.901 20 0 CFADRP CCC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccn1 ZINC000873272351 642113281 /nfs/dbraw/zinc/11/32/81/642113281.db2.gz SMHWUFUBYYEVPG-BBRMVZONSA-N 2 0 261.413 2.901 20 0 CFADRP CCc1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)o1 ZINC000873272907 642113294 /nfs/dbraw/zinc/11/32/94/642113294.db2.gz XFPFHOOTPGDCNS-RYUDHWBXSA-N 2 0 250.386 2.881 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000873271924 642113685 /nfs/dbraw/zinc/11/36/85/642113685.db2.gz MGWUEBNXZBFSAM-QWHCGFSZSA-N 2 0 286.423 2.612 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH2+]CC2)C12CCCC2 ZINC000873272106 642113708 /nfs/dbraw/zinc/11/37/08/642113708.db2.gz OPUVKLWCZMZYIX-IMJJTQAJSA-N 2 0 280.456 2.702 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873273683 642114281 /nfs/dbraw/zinc/11/42/81/642114281.db2.gz KTKWMPVQMTUOJC-QJPTWQEYSA-N 2 0 264.335 2.991 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000873281478 642116810 /nfs/dbraw/zinc/11/68/10/642116810.db2.gz JJJQNKGSSJHWIH-LBPRGKRZSA-N 2 0 284.469 2.889 20 0 CFADRP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290042 642122651 /nfs/dbraw/zinc/12/26/51/642122651.db2.gz NMGUMSDVGQNKRX-JKSUJKDBSA-N 2 0 282.472 2.950 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000873289999 642123189 /nfs/dbraw/zinc/12/31/89/642123189.db2.gz MXIRWFIDCWODDI-GDBMZVCRSA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291264 642123711 /nfs/dbraw/zinc/12/37/11/642123711.db2.gz IVZJNEPIHYYKHB-VQHPVUNQSA-N 2 0 294.483 2.950 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000873291498 642123792 /nfs/dbraw/zinc/12/37/92/642123792.db2.gz WLDYYQCRRPOLEU-ZIAGYGMSSA-N 2 0 294.464 2.948 20 0 CFADRP C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294030 642124948 /nfs/dbraw/zinc/12/49/48/642124948.db2.gz SDTDZUXOWHNCMO-INIZCTEOSA-N 2 0 292.467 2.704 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC1CCCC1 ZINC000195522478 650756319 /nfs/dbraw/zinc/75/63/19/650756319.db2.gz GSKXXTVNSIVFPI-CQSZACIVSA-N 2 0 280.460 2.698 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(Cl)nn1 ZINC000876933403 643069770 /nfs/dbraw/zinc/06/97/70/643069770.db2.gz OJFICXLDDTWAKK-CYBMUJFWSA-N 2 0 296.846 2.874 20 0 CFADRP COCCC[NH+]1CCC([NH2+]CCC(C)(C)SC)CC1 ZINC000876996387 643098525 /nfs/dbraw/zinc/09/85/25/643098525.db2.gz SDCGRPRDWNBAFM-UHFFFAOYSA-N 2 0 288.501 2.609 20 0 CFADRP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000877012420 643104279 /nfs/dbraw/zinc/10/42/79/643104279.db2.gz TYGJBBRIHFUBAH-FGTMMUONSA-N 2 0 293.499 2.737 20 0 CFADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000877019089 643106370 /nfs/dbraw/zinc/10/63/70/643106370.db2.gz GJQGJHBNWMNCPI-AOIWGVFYSA-N 2 0 299.462 2.648 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CC(C)C ZINC000877074048 643136473 /nfs/dbraw/zinc/13/64/73/643136473.db2.gz YIEGMAGIOBVUHA-KKUMJFAQSA-N 2 0 256.434 2.510 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089143007 650828314 /nfs/dbraw/zinc/82/83/14/650828314.db2.gz SHHNIQFFTGCETO-WMLDXEAASA-N 2 0 291.439 2.556 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000089146418 650828330 /nfs/dbraw/zinc/82/83/30/650828330.db2.gz BRMHMZPKCQHNFK-YGRLFVJLSA-N 2 0 254.324 2.572 20 0 CFADRP CSC(C)(C)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000877496462 643309242 /nfs/dbraw/zinc/30/92/42/643309242.db2.gz STMRZSXAETWDMF-UHFFFAOYSA-N 2 0 258.475 2.936 20 0 CFADRP CC[C@@](C)(C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1)OC ZINC000877497347 643309935 /nfs/dbraw/zinc/30/99/35/643309935.db2.gz OBUWTWVWNNJXTF-HNNXBMFYSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877584065 643379073 /nfs/dbraw/zinc/37/90/73/643379073.db2.gz BWLVTFFOOLDAET-MNOVXSKESA-N 2 0 265.228 2.502 20 0 CFADRP Cc1cc(C)cc(CC[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000877617372 643403377 /nfs/dbraw/zinc/40/33/77/643403377.db2.gz PBLSIHZBOXOMKM-CALCHBBNSA-N 2 0 260.425 2.776 20 0 CFADRP C[N@@H+]1CCCC[C@H](CNCc2cccc(Cl)c2N)C1 ZINC000877654543 643434984 /nfs/dbraw/zinc/43/49/84/643434984.db2.gz ZSZPQGQNNQLSLN-GFCCVEGCSA-N 2 0 281.831 2.744 20 0 CFADRP CCC(CC)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000877664566 643441936 /nfs/dbraw/zinc/44/19/36/643441936.db2.gz RDJPZYNXNXCHGT-UHFFFAOYSA-N 2 0 270.461 2.713 20 0 CFADRP Cc1ncccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877684763 643453177 /nfs/dbraw/zinc/45/31/77/643453177.db2.gz WPARWCUODUTVHR-UHFFFAOYSA-N 2 0 273.424 2.698 20 0 CFADRP Cc1cnc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)s1 ZINC000877683970 643453540 /nfs/dbraw/zinc/45/35/40/643453540.db2.gz FBLVECXLGYLACM-UHFFFAOYSA-N 2 0 279.453 2.759 20 0 CFADRP COC1(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CCCC1 ZINC000877684113 643453567 /nfs/dbraw/zinc/45/35/67/643453567.db2.gz GTDPUEJZQJTHPY-UHFFFAOYSA-N 2 0 280.456 2.753 20 0 CFADRP CCSCC[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000877698488 643460783 /nfs/dbraw/zinc/46/07/83/643460783.db2.gz XOSDUOGSALYVDD-UHFFFAOYSA-N 2 0 258.475 2.840 20 0 CFADRP CC(C)OC1CC([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000877711664 643478884 /nfs/dbraw/zinc/47/88/84/643478884.db2.gz TTYBDNWYTAESJJ-UHFFFAOYSA-N 2 0 268.445 2.795 20 0 CFADRP Cc1cnc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)o1 ZINC000877718852 643482378 /nfs/dbraw/zinc/48/23/78/643482378.db2.gz WHQAGIYCZODAKM-UHFFFAOYSA-N 2 0 299.418 2.736 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000877739356 643505224 /nfs/dbraw/zinc/50/52/24/643505224.db2.gz DOLSENPADDCWIJ-NVXWUHKLSA-N 2 0 258.409 2.829 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4c3CCC4)CC[C@@H]21 ZINC000877743299 643514828 /nfs/dbraw/zinc/51/48/28/643514828.db2.gz VFAHRNASFPSXSK-WMZOPIPTSA-N 2 0 270.420 2.701 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877742900 643515322 /nfs/dbraw/zinc/51/53/22/643515322.db2.gz SEEPVITUWKBYLV-DJIMGWMZSA-N 2 0 258.409 2.816 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC000877742901 643516156 /nfs/dbraw/zinc/51/61/56/643516156.db2.gz SEEPVITUWKBYLV-HYVNUMGLSA-N 2 0 258.409 2.816 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000877743059 643516343 /nfs/dbraw/zinc/51/63/43/643516343.db2.gz TVAOSTCOVJTFKJ-LMMKCTJWSA-N 2 0 299.462 2.539 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000877743954 643519701 /nfs/dbraw/zinc/51/97/01/643519701.db2.gz ZAUWCOJRWSFMST-WBVHZDCISA-N 2 0 272.436 2.990 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](CC(C)(C)c3ccccc3)CC[C@@H]21 ZINC000877743952 643521095 /nfs/dbraw/zinc/52/10/95/643521095.db2.gz ZAUWCOJRWSFMST-RDJZCZTQSA-N 2 0 272.436 2.990 20 0 CFADRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000877743958 643521230 /nfs/dbraw/zinc/52/12/30/643521230.db2.gz NPHFIVYNULSGCQ-INMHGKMJSA-N 2 0 286.419 2.579 20 0 CFADRP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC000877744056 643522078 /nfs/dbraw/zinc/52/20/78/643522078.db2.gz OJFOWBSSFAVZPQ-HOCLYGCPSA-N 2 0 269.392 2.694 20 0 CFADRP Cc1cc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)on1 ZINC000877767642 643546314 /nfs/dbraw/zinc/54/63/14/643546314.db2.gz QZIWTTCTGQIMCU-UHFFFAOYSA-N 2 0 279.428 2.783 20 0 CFADRP CC(C)C[N@H+](CC[C@H]1CCOC1)CC1CC[NH+](C)CC1 ZINC000877767604 643546611 /nfs/dbraw/zinc/54/66/11/643546611.db2.gz PEYJJNVYJHDITO-KRWDZBQOSA-N 2 0 282.472 2.713 20 0 CFADRP COCC(C)(C)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767395 643546650 /nfs/dbraw/zinc/54/66/50/643546650.db2.gz HHFNJDMYAFBFNV-UHFFFAOYSA-N 2 0 284.488 2.959 20 0 CFADRP C[C@H]1C[C@@H]1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794095 643559748 /nfs/dbraw/zinc/55/97/48/643559748.db2.gz GILBKYKVFCZFIE-LSDHHAIUSA-N 2 0 250.430 2.983 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000877968462 643669318 /nfs/dbraw/zinc/66/93/18/643669318.db2.gz MPJLJWNVYYNZPX-FGTMMUONSA-N 2 0 294.483 2.998 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000877969782 643670476 /nfs/dbraw/zinc/67/04/76/643670476.db2.gz HPQVXTQMZYGSTE-HNNXBMFYSA-N 2 0 282.472 2.854 20 0 CFADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000878016891 643695063 /nfs/dbraw/zinc/69/50/63/643695063.db2.gz AJJAXHZFPKFPBP-KURKYZTESA-N 2 0 294.483 2.855 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000878047440 643710856 /nfs/dbraw/zinc/71/08/56/643710856.db2.gz GWGZNPXZWHWNED-SQNIBIBYSA-N 2 0 294.483 2.996 20 0 CFADRP C([C@@H]1C[C@@H]2CCC[C@@H]2O1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000878132857 643752918 /nfs/dbraw/zinc/75/29/18/643752918.db2.gz DCXYIHSKPHGYLQ-XSLAGTTESA-N 2 0 292.467 2.752 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878148892 643759369 /nfs/dbraw/zinc/75/93/69/643759369.db2.gz SCDRERLJBRZOHE-CVEARBPZSA-N 2 0 280.456 2.752 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCCC(C)(C)O2)C1 ZINC000878155873 643764899 /nfs/dbraw/zinc/76/48/99/643764899.db2.gz GOFGPOYFUYQCTA-IAGOWNOFSA-N 2 0 294.483 2.998 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@H]1C ZINC000878162464 643769211 /nfs/dbraw/zinc/76/92/11/643769211.db2.gz GEXYPGVITCPOLS-XAJHFOFHSA-N 2 0 280.456 2.749 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC3(CCC3)CO2)[C@@H](C)C1 ZINC000878258507 643810749 /nfs/dbraw/zinc/81/07/49/643810749.db2.gz RIRBGDMDDGAQGQ-JYJNAYRXSA-N 2 0 280.456 2.608 20 0 CFADRP C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878313677 643833889 /nfs/dbraw/zinc/83/38/89/643833889.db2.gz DISOJGNNZSDBQO-YOEHRIQHSA-N 2 0 276.424 2.605 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCC3CC3)CC2)CC1 ZINC000878321488 643839794 /nfs/dbraw/zinc/83/97/94/643839794.db2.gz GEFXTBJXLZTQBR-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878549941 643937923 /nfs/dbraw/zinc/93/79/23/643937923.db2.gz RVJGHKKCRXPFIF-INIZCTEOSA-N 2 0 294.483 2.999 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)CC1 ZINC000878550150 643938045 /nfs/dbraw/zinc/93/80/45/643938045.db2.gz WCDATDGNPYYCJT-IKGGRYGDSA-N 2 0 292.467 2.752 20 0 CFADRP C[N@H+](C[C@H]1CCC(C)(C)CO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608275 643955848 /nfs/dbraw/zinc/95/58/48/643955848.db2.gz NQHZMRDOMQYCAG-VFSICIBPSA-N 2 0 280.456 2.749 20 0 CFADRP C[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608409 643955969 /nfs/dbraw/zinc/95/59/69/643955969.db2.gz QVZLOIMBTWQDKU-UYNJIGOISA-N 2 0 278.440 2.501 20 0 CFADRP C[N@H+](C[C@@H]1CCC2(CCC2)O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000878608444 643956602 /nfs/dbraw/zinc/95/66/02/643956602.db2.gz RSKPOYRCEILICI-QXULXFAOSA-N 2 0 278.440 2.645 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC000878644641 643972047 /nfs/dbraw/zinc/97/20/47/643972047.db2.gz ANLBAQNWIDADRT-ZIAGYGMSSA-N 2 0 272.383 2.840 20 0 CFADRP CO[C@H]1C[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000878668069 643984612 /nfs/dbraw/zinc/98/46/12/643984612.db2.gz KAEHNBIWUGAZKR-MAEOIBBWSA-N 2 0 288.435 2.666 20 0 CFADRP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000091306305 650897541 /nfs/dbraw/zinc/89/75/41/650897541.db2.gz RFYHUSACDMPJLI-SJLPKXTDSA-N 2 0 290.451 2.738 20 0 CFADRP C[N@H+](Cc1cc(-c2ccco2)on1)C1CCC([NH3+])CC1 ZINC000091846356 650909836 /nfs/dbraw/zinc/90/98/36/650909836.db2.gz BQXPCRWCOKQELC-UHFFFAOYSA-N 2 0 275.352 2.636 20 0 CFADRP CCC[C@@H](C)CCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594229 644342890 /nfs/dbraw/zinc/34/28/90/644342890.db2.gz BUOCTEIYGMKHAZ-QGZVFWFLSA-N 2 0 295.515 2.915 20 0 CFADRP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)o1 ZINC000092043461 650914193 /nfs/dbraw/zinc/91/41/93/650914193.db2.gz AQFJMNQKEWGZET-ZBFHGGJFSA-N 2 0 262.397 2.813 20 0 CFADRP CSCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702101 644388457 /nfs/dbraw/zinc/38/84/57/644388457.db2.gz GCCAAJIGNOEPJT-UHFFFAOYSA-N 2 0 258.475 2.649 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949950 644469427 /nfs/dbraw/zinc/46/94/27/644469427.db2.gz AHWDIJUYQDGMQR-QGZVFWFLSA-N 2 0 293.499 2.811 20 0 CFADRP C[C@H](c1ccncc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262653 644618833 /nfs/dbraw/zinc/61/88/33/644618833.db2.gz RHVRNYNSPOWYRO-LSDHHAIUSA-N 2 0 282.391 2.748 20 0 CFADRP C[C@@H](c1cccnc1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261258 644619190 /nfs/dbraw/zinc/61/91/90/644619190.db2.gz HYPDUUMIMHTMKO-CABCVRRESA-N 2 0 282.391 2.748 20 0 CFADRP C[N@H+](CCc1cccs1)C[C@@]1(C)CCC[NH2+]C1 ZINC000093291977 650937129 /nfs/dbraw/zinc/93/71/29/650937129.db2.gz DTFVYHYIVUSDFY-AWEZNQCLSA-N 2 0 252.427 2.612 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2nccs2)C1 ZINC000880317278 644650404 /nfs/dbraw/zinc/65/04/04/644650404.db2.gz QNPIFFRGBLZOOB-KBPBESRZSA-N 2 0 279.453 2.807 20 0 CFADRP CC(C)(C)OCCC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472966 644727270 /nfs/dbraw/zinc/72/72/70/644727270.db2.gz KCHGIQHLUPLZJF-UHFFFAOYSA-N 2 0 268.445 2.752 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CCCc2ccncc2)CC1 ZINC000880474470 644728155 /nfs/dbraw/zinc/72/81/55/644728155.db2.gz YTHNZKHICZJKMH-UHFFFAOYSA-N 2 0 273.424 2.574 20 0 CFADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094365372 650957085 /nfs/dbraw/zinc/95/70/85/650957085.db2.gz ORHXEEIZVPDYPK-CQSZACIVSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cnn(-c2ccccc2)c1 ZINC000128934310 644952651 /nfs/dbraw/zinc/95/26/51/644952651.db2.gz CHVJYKYJMKGRNY-JEYLPNPQSA-N 2 0 284.407 2.793 20 0 CFADRP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000129038221 644982697 /nfs/dbraw/zinc/98/26/97/644982697.db2.gz TYFVFGWUVBRDSW-GOEBONIOSA-N 2 0 262.397 2.878 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000129047517 645005418 /nfs/dbraw/zinc/00/54/18/645005418.db2.gz CAJQYCFNHKIXLG-YPMHNXCESA-N 2 0 266.360 2.627 20 0 CFADRP CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250491729 650974666 /nfs/dbraw/zinc/97/46/66/650974666.db2.gz HHCHMZFDGVRVFL-RCCFBDPRSA-N 2 0 293.499 2.760 20 0 CFADRP CCc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc[nH+]1 ZINC000882820742 645470545 /nfs/dbraw/zinc/47/05/45/645470545.db2.gz ZBJHRGNKJIGXNS-CQSZACIVSA-N 2 0 282.391 2.754 20 0 CFADRP Cc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc[nH+]1 ZINC000882821413 645470647 /nfs/dbraw/zinc/47/06/47/645470647.db2.gz UXHJBXMUHMOLQO-AWEZNQCLSA-N 2 0 268.364 2.500 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882941239 645518157 /nfs/dbraw/zinc/51/81/57/645518157.db2.gz MRAVREQDFBDFKX-HNNXBMFYSA-N 2 0 288.435 2.579 20 0 CFADRP Cn1ncc(Cl)c1C[NH2+]CCCCCCC[NH+](C)C ZINC000130785318 645570609 /nfs/dbraw/zinc/57/06/09/645570609.db2.gz OWQUJRYUQPJOLM-UHFFFAOYSA-N 2 0 286.851 2.675 20 0 CFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)N1CC[NH+](C)CC1 ZINC000883169748 645637410 /nfs/dbraw/zinc/63/74/10/645637410.db2.gz CEKHJBJTUIIHMA-SJORKVTESA-N 2 0 293.499 2.571 20 0 CFADRP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000883172583 645639459 /nfs/dbraw/zinc/63/94/59/645639459.db2.gz MKPZTZSZUCZVDT-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)CC[C@@H]2C)CC1 ZINC000883172279 645640043 /nfs/dbraw/zinc/64/00/43/645640043.db2.gz CCQBOYRJAHVROJ-IRXDYDNUSA-N 2 0 295.515 2.818 20 0 CFADRP C([C@H]1CCOC1)[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883190975 645652964 /nfs/dbraw/zinc/65/29/64/645652964.db2.gz PCQQABSRYVMFBN-WBVHZDCISA-N 2 0 292.467 2.800 20 0 CFADRP CC(C)c1c[nH]c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)n1 ZINC000883197304 645657660 /nfs/dbraw/zinc/65/76/60/645657660.db2.gz IRQBUBGNXVWBDO-UHFFFAOYSA-N 2 0 278.444 2.886 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCSC1)C(C)(C)C ZINC000131519070 645739385 /nfs/dbraw/zinc/73/93/85/645739385.db2.gz MPICFPHNVRCXLR-STQMWFEESA-N 2 0 258.475 2.838 20 0 CFADRP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000883353950 645757905 /nfs/dbraw/zinc/75/79/05/645757905.db2.gz HRTLAZYCJMGFBX-BPQIPLTHSA-N 2 0 293.499 2.713 20 0 CFADRP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC2(CCC2)O1 ZINC000883355969 645762296 /nfs/dbraw/zinc/76/22/96/645762296.db2.gz BDRLVODYVLWJCI-MRXNPFEDSA-N 2 0 278.440 2.552 20 0 CFADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000305066338 651044108 /nfs/dbraw/zinc/04/41/08/651044108.db2.gz IYZKNCXWIGKJFK-SFHVURJKSA-N 2 0 288.435 2.717 20 0 CFADRP C[N@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CC[NH2+]CC1 ZINC000883415949 645808553 /nfs/dbraw/zinc/80/85/53/645808553.db2.gz ILEVKDQYOZPOMH-ZWKOTPCHSA-N 2 0 288.435 2.981 20 0 CFADRP [NH3+]C1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000883415452 645809091 /nfs/dbraw/zinc/80/90/91/645809091.db2.gz WBQRDMJNIPEFDV-IRXDYDNUSA-N 2 0 274.408 2.720 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416450 645809454 /nfs/dbraw/zinc/80/94/54/645809454.db2.gz VFOPVBZBWOLWCM-XIRDDKMYSA-N 2 0 274.408 2.577 20 0 CFADRP CC1(C)CCC[C@@H](C[N@H+](C2CC2)C2CC[NH2+]CC2)O1 ZINC000883415696 645809470 /nfs/dbraw/zinc/80/94/70/645809470.db2.gz CBBITFRWHKCKRY-HNNXBMFYSA-N 2 0 266.429 2.551 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883417407 645810664 /nfs/dbraw/zinc/81/06/64/645810664.db2.gz ZILZKIFFQWOCOE-QZTJIDSGSA-N 2 0 288.435 2.838 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@H]21 ZINC000883425469 645818634 /nfs/dbraw/zinc/81/86/34/645818634.db2.gz VGCBIDQSFQJUMO-XJFOESAGSA-N 2 0 272.383 2.871 20 0 CFADRP C[N@H+](C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CC([NH3+])C1 ZINC000883428888 645821455 /nfs/dbraw/zinc/82/14/55/645821455.db2.gz FYKFVJWJSPGJQY-BACDZXNISA-N 2 0 274.408 2.718 20 0 CFADRP CC1(C)CCC[C@@H](CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)O1 ZINC000883428378 645821559 /nfs/dbraw/zinc/82/15/59/645821559.db2.gz SCHLIXFRNOLXFJ-YESZJQIVSA-N 2 0 288.435 2.761 20 0 CFADRP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)C1 ZINC000883428143 645821953 /nfs/dbraw/zinc/82/19/53/645821953.db2.gz MQOIWDLLOFLZPX-OKZBNKHCSA-N 2 0 288.435 2.968 20 0 CFADRP CC1(C)C[C@H](C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)C(C)(C)O1 ZINC000883428421 645822171 /nfs/dbraw/zinc/82/21/71/645822171.db2.gz TXKBVCWGTYMMCU-JKSUJKDBSA-N 2 0 294.483 2.902 20 0 CFADRP CN(C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@H](C[NH3+])C1CC1 ZINC000883428180 645822343 /nfs/dbraw/zinc/82/23/43/645822343.db2.gz NLJJNRMLDZWMJF-BBWFWOEESA-N 2 0 274.408 2.576 20 0 CFADRP CC1(C)CCC[C@H](C[NH2+][C@@H](CN)C2CCCCC2)O1 ZINC000883429898 645824641 /nfs/dbraw/zinc/82/46/41/645824641.db2.gz HSKFEGDQOSBCIN-CABCVRRESA-N 2 0 268.445 2.831 20 0 CFADRP c1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCCN21 ZINC000883461874 645843505 /nfs/dbraw/zinc/84/35/05/645843505.db2.gz FPQBMQGXENUFEX-FUHWJXTLSA-N 2 0 299.462 2.861 20 0 CFADRP C(C[N@@H+]1CCCC[C@H](C2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000883461940 645843961 /nfs/dbraw/zinc/84/39/61/645843961.db2.gz GLTQHPCVCURNCJ-WBVHZDCISA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H](c1cccc(O)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000134011617 646265076 /nfs/dbraw/zinc/26/50/76/646265076.db2.gz UPINBIXDCRPREO-ZDUSSCGKSA-N 2 0 262.397 2.727 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc3ccccc32)C1 ZINC000135374051 646526973 /nfs/dbraw/zinc/52/69/73/646526973.db2.gz LQBWTODYFPYMPL-CQSZACIVSA-N 2 0 269.392 2.666 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1[nH]nc(C)c1C ZINC000885889501 646761920 /nfs/dbraw/zinc/76/19/20/646761920.db2.gz FHRZTKSJVOXYQS-LBPRGKRZSA-N 2 0 266.433 2.627 20 0 CFADRP CC[NH+]1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885901942 646764544 /nfs/dbraw/zinc/76/45/44/646764544.db2.gz WYXVSHYRVRWCRB-XQRVVYSFSA-N 2 0 262.372 2.913 20 0 CFADRP COCCN1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885944678 646777422 /nfs/dbraw/zinc/77/74/22/646777422.db2.gz UNQCJXBRRVPFCI-HYXAFXHYSA-N 2 0 292.398 2.539 20 0 CFADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885980360 646793495 /nfs/dbraw/zinc/79/34/95/646793495.db2.gz ZOKILGVMFARITD-IRXDYDNUSA-N 2 0 280.456 2.749 20 0 CFADRP C([C@@H]1CC[C@@H](C2CC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000886016518 646819458 /nfs/dbraw/zinc/81/94/58/646819458.db2.gz GLUSXDKIDRKQAD-BZSNNMDCSA-N 2 0 292.467 2.894 20 0 CFADRP CCC[N@H+](C)C[C@@H]1CCN(CCSC(F)(F)F)C1 ZINC000886031012 646829608 /nfs/dbraw/zinc/82/96/08/646829608.db2.gz ZRGUWDURNRVNIO-NSHDSACASA-N 2 0 284.391 2.903 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1C ZINC000886033572 646832328 /nfs/dbraw/zinc/83/23/28/646832328.db2.gz WXZGUEZOJWUIBV-QSPRXWTASA-N 2 0 280.456 2.749 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC[C@@H]3C[C@H]3C3CC3)CC[C@H]21 ZINC000886043371 646839169 /nfs/dbraw/zinc/83/91/69/646839169.db2.gz AZAURNLTNKWYCO-LTIDMASMSA-N 2 0 262.441 2.839 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCC3(CCC3)CO2)[C@H](C)C1 ZINC000886070770 646854348 /nfs/dbraw/zinc/85/43/48/646854348.db2.gz XGTOKGRWDQHHMG-IKGGRYGDSA-N 2 0 294.483 2.998 20 0 CFADRP Clc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)nc1 ZINC000886094427 646865651 /nfs/dbraw/zinc/86/56/51/646865651.db2.gz RJRSQTCBAHJYPX-UHFFFAOYSA-N 2 0 279.815 2.699 20 0 CFADRP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)CC1 ZINC000886171890 646906244 /nfs/dbraw/zinc/90/62/44/646906244.db2.gz QUDXTLXFWQRIGS-HYVNUMGLSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CC(C)(C)CO2)CC1(C)C ZINC000886305477 646960525 /nfs/dbraw/zinc/96/05/25/646960525.db2.gz IAEFUBWDEVGFGY-UONOGXRCSA-N 2 0 268.445 2.654 20 0 CFADRP CC1([NH+]2CCC2)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886317956 646967756 /nfs/dbraw/zinc/96/77/56/646967756.db2.gz FYUGFXFSYZYPEM-CVEARBPZSA-N 2 0 262.441 2.983 20 0 CFADRP CC(C)N(C)CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886521248 647026931 /nfs/dbraw/zinc/02/69/31/647026931.db2.gz XIZPHUWYLJXTFD-UHFFFAOYSA-N 2 0 281.488 2.713 20 0 CFADRP CC[C@H](C)[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886525935 647028807 /nfs/dbraw/zinc/02/88/07/647028807.db2.gz BEBXDQWHRNJYJZ-SOEBMCCKSA-N 2 0 282.472 2.780 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000886526451 647030037 /nfs/dbraw/zinc/03/00/37/647030037.db2.gz MIZHUDNVTLPQTO-JCCCHCCOSA-N 2 0 280.456 2.677 20 0 CFADRP CCC[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886527024 647030105 /nfs/dbraw/zinc/03/01/05/647030105.db2.gz XEDKYHRCQNVYDD-PCKAHOCUSA-N 2 0 268.445 2.534 20 0 CFADRP C[C@@H](CCCO)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886538703 647036591 /nfs/dbraw/zinc/03/65/91/647036591.db2.gz MKANRCGHBBXMDS-FHERZECASA-N 2 0 268.445 2.534 20 0 CFADRP COC[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C1CC1 ZINC000886555518 647045435 /nfs/dbraw/zinc/04/54/35/647045435.db2.gz VFLVQBDEHNSDBT-CGZBRXJRSA-N 2 0 280.456 2.798 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCCCCO)CC1 ZINC000886561877 647048263 /nfs/dbraw/zinc/04/82/63/647048263.db2.gz LPLRJEHZBNLKBH-UHFFFAOYSA-N 2 0 282.472 2.926 20 0 CFADRP COC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCC1 ZINC000886588397 647056466 /nfs/dbraw/zinc/05/64/66/647056466.db2.gz QPGCSXMJZKJTSZ-UHFFFAOYSA-N 2 0 280.456 2.942 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000886594801 647059775 /nfs/dbraw/zinc/05/97/75/647059775.db2.gz UNXMKQBMKVGVMP-PBHCIXSXSA-N 2 0 294.483 2.924 20 0 CFADRP CC(C)[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000886598542 647061411 /nfs/dbraw/zinc/06/14/11/647061411.db2.gz CVJHLICHANLWER-INIZCTEOSA-N 2 0 292.471 2.829 20 0 CFADRP CC1([NH+]2CCCC2)CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000886598539 647061754 /nfs/dbraw/zinc/06/17/54/647061754.db2.gz CUUPCHXRFKPLAT-UHFFFAOYSA-N 2 0 294.361 2.910 20 0 CFADRP CC[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000886612378 647066758 /nfs/dbraw/zinc/06/67/58/647066758.db2.gz JVXHJKQYFIPRCU-PCKAHOCUSA-N 2 0 268.445 2.798 20 0 CFADRP CC1(C)OCC[C@H]1[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886617713 647070573 /nfs/dbraw/zinc/07/05/73/647070573.db2.gz WIPYRHNTLCQVME-ISXOHVOVSA-N 2 0 280.456 2.941 20 0 CFADRP COCC1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886632738 647079121 /nfs/dbraw/zinc/07/91/21/647079121.db2.gz CQAZBWMWIGKHKK-UHFFFAOYSA-N 2 0 280.456 2.800 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CO1 ZINC000886634369 647080116 /nfs/dbraw/zinc/08/01/16/647080116.db2.gz CBOSLKBQWRMOJK-ISXOHVOVSA-N 2 0 280.456 2.941 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000886636708 647080870 /nfs/dbraw/zinc/08/08/70/647080870.db2.gz SPSFHALQRBZESR-JLYIEGTKSA-N 2 0 280.456 2.941 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CCCCCOC)CC1 ZINC000886711428 647118645 /nfs/dbraw/zinc/11/86/45/647118645.db2.gz WAZUTNZXJYTNOW-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP CCC1([NH+]2CCC2)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000886711069 647118795 /nfs/dbraw/zinc/11/87/95/647118795.db2.gz MDWUFRZZTDJUOY-UHFFFAOYSA-N 2 0 280.456 2.632 20 0 CFADRP CCC1([NH+]2CCC2)CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000886715908 647120161 /nfs/dbraw/zinc/12/01/61/647120161.db2.gz INHUIDJQARTWET-QGZVFWFLSA-N 2 0 294.483 2.878 20 0 CFADRP CCO[C@@H](C[NH+]1CCC(CC)([NH+]2CCC2)CC1)C1CC1 ZINC000886720198 647122577 /nfs/dbraw/zinc/12/25/77/647122577.db2.gz WEWKNYPPGFIVGX-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)[C@H](C)C1 ZINC000886729050 647123648 /nfs/dbraw/zinc/12/36/48/647123648.db2.gz YYFDZVLAAQCQKX-OAGGEKHMSA-N 2 0 280.456 2.656 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000886837066 647158436 /nfs/dbraw/zinc/15/84/36/647158436.db2.gz ASPSATYAYWBWCL-IRXDYDNUSA-N 2 0 292.467 2.657 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886837191 647158495 /nfs/dbraw/zinc/15/84/95/647158495.db2.gz CPGXUAFBFOAMNO-VXGBXAGGSA-N 2 0 296.402 2.951 20 0 CFADRP C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886839557 647159692 /nfs/dbraw/zinc/15/96/92/647159692.db2.gz HLHNEXJVRFTDHH-NCOADZHNSA-N 2 0 262.441 2.744 20 0 CFADRP C([C@@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000886839867 647159818 /nfs/dbraw/zinc/15/98/18/647159818.db2.gz NNZGQKNCHHZFOO-ULQDDVLXSA-N 2 0 292.467 2.800 20 0 CFADRP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000886843342 647160542 /nfs/dbraw/zinc/16/05/42/647160542.db2.gz WAQWSFAQNKNFLX-NVXWUHKLSA-N 2 0 276.399 2.832 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000886858284 647162414 /nfs/dbraw/zinc/16/24/14/647162414.db2.gz UYHBMXAQWSTMKQ-CABCVRRESA-N 2 0 293.480 2.706 20 0 CFADRP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000886858402 647162632 /nfs/dbraw/zinc/16/26/32/647162632.db2.gz ZDTOLVAHCHTQBZ-DJIMGWMZSA-N 2 0 286.419 2.591 20 0 CFADRP Cc1csc(C[C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000886857938 647163134 /nfs/dbraw/zinc/16/31/34/647163134.db2.gz GKQUZZHNZQKCQQ-OAHLLOKOSA-N 2 0 293.480 2.706 20 0 CFADRP C([C@H]1CCC2(CCC2)CO1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876138 647165930 /nfs/dbraw/zinc/16/59/30/647165930.db2.gz MMWNESDIFBALAB-SJLPKXTDSA-N 2 0 292.467 2.801 20 0 CFADRP COCC[N@@H+](Cc1ccc(C)c(C)c1)CC1CC[NH2+]CC1 ZINC000886880766 647166513 /nfs/dbraw/zinc/16/65/13/647166513.db2.gz CBFGQTAAHLYHGB-UHFFFAOYSA-N 2 0 290.451 2.751 20 0 CFADRP C([C@H]1CCC2(CCC2)O1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876057 647166539 /nfs/dbraw/zinc/16/65/39/647166539.db2.gz BOYUZQKZEDQYAG-HZPDHXFCSA-N 2 0 278.440 2.554 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886975299 647186342 /nfs/dbraw/zinc/18/63/42/647186342.db2.gz IEMTYLBYKGZSRZ-HNNXBMFYSA-N 2 0 280.456 2.536 20 0 CFADRP C[C@@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)C[NH+](C)C ZINC000221682700 647208433 /nfs/dbraw/zinc/20/84/33/647208433.db2.gz JXDFRSGOQKNAPM-ZDUSSCGKSA-N 2 0 266.404 2.934 20 0 CFADRP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000221988800 647239699 /nfs/dbraw/zinc/23/96/99/647239699.db2.gz WCOHONBXRAQYFC-UKRRQHHQSA-N 2 0 276.399 2.831 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000222946683 647326876 /nfs/dbraw/zinc/32/68/76/647326876.db2.gz WRCKBXLQWCYWFW-XQQFMLRXSA-N 2 0 278.396 2.624 20 0 CFADRP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(F)cc1 ZINC000925497385 647843597 /nfs/dbraw/zinc/84/35/97/647843597.db2.gz WGVUPQBAFFOBSU-VXOWAWLSSA-N 2 0 274.383 2.515 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925495120 647849562 /nfs/dbraw/zinc/84/95/62/647849562.db2.gz MZOQADBZOCSPRI-UONOGXRCSA-N 2 0 292.423 2.699 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccc1 ZINC000925495240 647853260 /nfs/dbraw/zinc/85/32/60/647853260.db2.gz QBLTVCCKWJLSLZ-BZUAXINKSA-N 2 0 276.424 2.870 20 0 CFADRP CN(CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)Cc1ccccc1 ZINC000925500001 647882916 /nfs/dbraw/zinc/88/29/16/647882916.db2.gz BYSPUGSHTBWBGW-IRXDYDNUSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925496711 647883983 /nfs/dbraw/zinc/88/39/83/647883983.db2.gz VJIJQCFQBHKJMD-UGFHNGPFSA-N 2 0 262.372 2.616 20 0 CFADRP CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC)n1 ZINC000924529983 647988234 /nfs/dbraw/zinc/98/82/34/647988234.db2.gz YENIBMKBFPLXNZ-KBPBESRZSA-N 2 0 295.475 2.768 20 0 CFADRP CC[C@@H](C[C@](C)(O)CC)[NH2+]CCC[NH+]1CCCCC1 ZINC000924578665 647999196 /nfs/dbraw/zinc/99/91/96/647999196.db2.gz OMQJCFPGZLVOOT-JKSUJKDBSA-N 2 0 270.461 2.782 20 0 CFADRP CC(C)C(C(C)C)[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924657013 648020112 /nfs/dbraw/zinc/02/01/12/648020112.db2.gz FDEWTRCTCGZCEH-KRWDZBQOSA-N 2 0 297.531 2.920 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccnnc1 ZINC000924681621 648025536 /nfs/dbraw/zinc/02/55/36/648025536.db2.gz PQYPVNWUCKIMSJ-OAHLLOKOSA-N 2 0 276.428 2.639 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000924683145 648025873 /nfs/dbraw/zinc/02/58/73/648025873.db2.gz FKACGZCFPVKUBO-VQHPVUNQSA-N 2 0 282.472 2.759 20 0 CFADRP OCCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924699907 648030723 /nfs/dbraw/zinc/03/07/23/648030723.db2.gz VGDJXUDQIFNLNR-NXOAAHMSSA-N 2 0 280.456 2.534 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)C1 ZINC000924708735 648031539 /nfs/dbraw/zinc/03/15/39/648031539.db2.gz ZOXUJKLPMNRIMT-UONOGXRCSA-N 2 0 276.428 2.601 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924711231 648032280 /nfs/dbraw/zinc/03/22/80/648032280.db2.gz GJVVMNRWZKANOQ-FUHWJXTLSA-N 2 0 292.467 2.656 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713888 648033196 /nfs/dbraw/zinc/03/31/96/648033196.db2.gz UHUALCNYUXCTRJ-LXZKKBNFSA-N 2 0 260.425 2.805 20 0 CFADRP OCCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924713785 648034007 /nfs/dbraw/zinc/03/40/07/648034007.db2.gz SVXGAQVTCDPBSD-FUHWJXTLSA-N 2 0 294.483 2.782 20 0 CFADRP CC[N@@H+]1CCC[C@H](CNC2CC[NH+](CCC(C)C)CC2)C1 ZINC000924863766 648062569 /nfs/dbraw/zinc/06/25/69/648062569.db2.gz YWPKMPPSFUSGRV-QGZVFWFLSA-N 3 0 295.515 2.818 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C2[C@@H](C)CC[C@@H]2C)CC1 ZINC000924911045 648071114 /nfs/dbraw/zinc/07/11/14/648071114.db2.gz APFATBJHFPRLEU-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3oc(C)nc32)CC1 ZINC000924953520 648077418 /nfs/dbraw/zinc/07/74/18/648077418.db2.gz CRWRTGSXRSYTIM-AWEZNQCLSA-N 2 0 277.412 2.682 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000924953889 648077749 /nfs/dbraw/zinc/07/77/49/648077749.db2.gz FKMPLSCVVHLSAK-ODIFPOPNSA-N 2 0 280.456 2.656 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2C(C)C)CC1 ZINC000924955148 648078506 /nfs/dbraw/zinc/07/85/06/648078506.db2.gz MCMQNADGVKKWMT-DLBZAZTESA-N 2 0 282.472 2.759 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2c(C)noc2C)CC1 ZINC000924955309 648078566 /nfs/dbraw/zinc/07/85/66/648078566.db2.gz ONEYUVMWSODDBI-NSHDSACASA-N 2 0 265.401 2.674 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000924954675 648078689 /nfs/dbraw/zinc/07/86/89/648078689.db2.gz HYHVICPPTRLIMH-LBPRGKRZSA-N 2 0 258.837 2.858 20 0 CFADRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cnn(C)n1 ZINC000924956469 648078987 /nfs/dbraw/zinc/07/89/87/648078987.db2.gz HKCNJMWOWGNSOT-OAHLLOKOSA-N 2 0 293.459 2.512 20 0 CFADRP C[C@@H]1COC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000924960047 648080933 /nfs/dbraw/zinc/08/09/33/648080933.db2.gz RECHCTWXUGWNOT-HZPDHXFCSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ncnn21 ZINC000925047668 648094314 /nfs/dbraw/zinc/09/43/14/648094314.db2.gz BKAWKCXESBLQEL-GJZGRUSLSA-N 2 0 291.443 2.530 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ncnn21 ZINC000925047667 648094410 /nfs/dbraw/zinc/09/44/10/648094410.db2.gz BKAWKCXESBLQEL-CABCVRRESA-N 2 0 291.443 2.530 20 0 CFADRP C[C@H]([NH2+]CCOc1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000925065696 648098336 /nfs/dbraw/zinc/09/83/36/648098336.db2.gz XSZSQVVFKMKUHZ-HNNXBMFYSA-N 2 0 299.418 2.873 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1(Br)CC1 ZINC000925218741 648134753 /nfs/dbraw/zinc/13/47/53/648134753.db2.gz ZINXVYDPRHAODG-TUAOUCFPSA-N 2 0 289.261 2.765 20 0 CFADRP FC(F)(F)CCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925192310 648128029 /nfs/dbraw/zinc/12/80/29/648128029.db2.gz VMJUEYUEQLVSKW-NEPJUHHUSA-N 2 0 264.335 2.935 20 0 CFADRP CC[C@@H]1COC[C@@H]1[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000925195155 648129084 /nfs/dbraw/zinc/12/90/84/648129084.db2.gz GUZIQJSHXQOGHH-CABCVRRESA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925196157 648129243 /nfs/dbraw/zinc/12/92/43/648129243.db2.gz CURJACMVAKJZMW-HZPDHXFCSA-N 3 0 289.467 2.741 20 0 CFADRP C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925196154 648129405 /nfs/dbraw/zinc/12/94/05/648129405.db2.gz CURJACMVAKJZMW-CVEARBPZSA-N 3 0 289.467 2.741 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)C(C)C ZINC000925198066 648130076 /nfs/dbraw/zinc/13/00/76/648130076.db2.gz XYDRFDUFVANRKA-SOUVJXGZSA-N 2 0 256.434 2.508 20 0 CFADRP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CO[C@H]1C ZINC000925207097 648131357 /nfs/dbraw/zinc/13/13/57/648131357.db2.gz ODCBWMIXFHRBLA-ZQIUZPCESA-N 2 0 280.456 2.797 20 0 CFADRP CC(C)CC[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000925242654 648140351 /nfs/dbraw/zinc/14/03/51/648140351.db2.gz HJVXMMRRYBAEPW-DOTOQJQBSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C[C@@H](C)O1 ZINC000925439207 648170336 /nfs/dbraw/zinc/17/03/36/648170336.db2.gz JBZLRHZXOUTHIU-UYTYNIKBSA-N 2 0 292.467 2.820 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1 ZINC000925478296 648179291 /nfs/dbraw/zinc/17/92/91/648179291.db2.gz NCYDWMTXORCUEP-ZWKOTPCHSA-N 2 0 290.451 2.997 20 0 CFADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000925481537 648180173 /nfs/dbraw/zinc/18/01/73/648180173.db2.gz QQAJAPSEAGLENR-QGZVFWFLSA-N 2 0 290.451 2.756 20 0 CFADRP CN(CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925484240 648181058 /nfs/dbraw/zinc/18/10/58/648181058.db2.gz CYFZKAVRMNYMKG-JKSUJKDBSA-N 2 0 291.414 2.512 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCC2 ZINC000925485880 648181263 /nfs/dbraw/zinc/18/12/63/648181263.db2.gz DZKBEEDPTJXTFJ-CVEARBPZSA-N 3 0 279.472 2.502 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925488229 648182219 /nfs/dbraw/zinc/18/22/19/648182219.db2.gz IOGMJTDBSVCQPK-XDTLVQLUSA-N 2 0 265.401 2.848 20 0 CFADRP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925488228 648182526 /nfs/dbraw/zinc/18/25/26/648182526.db2.gz IOGMJTDBSVCQPK-TVYUQYBPSA-N 2 0 265.401 2.848 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925496325 648183566 /nfs/dbraw/zinc/18/35/66/648183566.db2.gz QJQYFXVOQJTGDU-DJIMGWMZSA-N 2 0 287.451 2.552 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925497684 648184190 /nfs/dbraw/zinc/18/41/90/648184190.db2.gz YITZREQNSVWCKY-PMPSAXMXSA-N 2 0 279.472 2.501 20 0 CFADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925501901 648186646 /nfs/dbraw/zinc/18/66/46/648186646.db2.gz FEUVCPAZYQWBBS-MELADBBJSA-N 2 0 268.445 2.558 20 0 CFADRP CCc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925502861 648186922 /nfs/dbraw/zinc/18/69/22/648186922.db2.gz JDHKCFVLBDDHIL-CVEARBPZSA-N 2 0 258.409 2.651 20 0 CFADRP c1cn(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc12 ZINC000925507743 648189951 /nfs/dbraw/zinc/18/99/51/648189951.db2.gz XEFJPJCEHUCDAM-QGZVFWFLSA-N 2 0 283.419 2.906 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000925510234 648191395 /nfs/dbraw/zinc/19/13/95/648191395.db2.gz UVJFRFLXIHPUGD-UONOGXRCSA-N 2 0 264.388 2.864 20 0 CFADRP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)C2)cc1 ZINC000925513388 648192645 /nfs/dbraw/zinc/19/26/45/648192645.db2.gz IZEHDVUQKWIBAF-SZMVWBNQSA-N 2 0 299.462 2.823 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Cl)cc1 ZINC000925516396 648194779 /nfs/dbraw/zinc/19/47/79/648194779.db2.gz SMLNBSDJXPZKPN-DFBGVHRSSA-N 2 0 294.826 2.967 20 0 CFADRP C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925518093 648195158 /nfs/dbraw/zinc/19/51/58/648195158.db2.gz DDGSCQDUPLPWIC-ARGWCVDVSA-N 2 0 296.480 2.556 20 0 CFADRP COc1ccc(OC)c(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925518245 648195439 /nfs/dbraw/zinc/19/54/39/648195439.db2.gz NVDTWBQHRUQJJG-KGLIPLIRSA-N 2 0 292.423 2.699 20 0 CFADRP c1ccc(CCCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925521706 648197270 /nfs/dbraw/zinc/19/72/70/648197270.db2.gz DDSCNYTUNAMLIC-MRXNPFEDSA-N 2 0 258.409 2.884 20 0 CFADRP C[NH+](C)Cc1cccc(CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925527091 648200657 /nfs/dbraw/zinc/20/06/57/648200657.db2.gz PVWWPTJDMNZGMI-QGZVFWFLSA-N 2 0 287.451 2.513 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925526787 648200732 /nfs/dbraw/zinc/20/07/32/648200732.db2.gz LSWQQRUHIUTHIR-IXDOHACOSA-N 2 0 288.435 2.699 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528224 648201171 /nfs/dbraw/zinc/20/11/71/648201171.db2.gz ZULUIAIIILYEHF-IRXDYDNUSA-N 2 0 289.467 2.744 20 0 CFADRP CCS[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925528914 648201734 /nfs/dbraw/zinc/20/17/34/648201734.db2.gz BOWSIFGYXPEOHM-XQQFMLRXSA-N 2 0 256.459 2.781 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCC1 ZINC000925529877 648202369 /nfs/dbraw/zinc/20/23/69/648202369.db2.gz NATHQGOCCBPIRQ-WEVKCVHISA-N 2 0 292.467 2.558 20 0 CFADRP C[C@]1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCC[C@@H]1O ZINC000925532030 648203819 /nfs/dbraw/zinc/20/38/19/648203819.db2.gz UNWMHISOEJLTQH-FGTMMUONSA-N 2 0 290.451 2.997 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]CCc1cccnc1)c1ccccc1 ZINC000925535171 648204503 /nfs/dbraw/zinc/20/45/03/648204503.db2.gz CNGPQILLGRCGNW-QGZVFWFLSA-N 2 0 269.392 2.694 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1cccnc1 ZINC000925537119 648205768 /nfs/dbraw/zinc/20/57/68/648205768.db2.gz JETVBALKVJPHKK-XHSDSOJGSA-N 2 0 273.424 2.681 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccc1F ZINC000925541670 648208356 /nfs/dbraw/zinc/20/83/56/648208356.db2.gz LMBGNQVXVYJFLG-HUUCEWRRSA-N 2 0 276.399 2.963 20 0 CFADRP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925544612 648210095 /nfs/dbraw/zinc/21/00/95/648210095.db2.gz BUIUEYUMRMIAAG-QAPCUYQASA-N 2 0 289.467 2.757 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H]3CC[NH2+]C3(C)C)c[nH]c2c1 ZINC000925548172 648210936 /nfs/dbraw/zinc/21/09/36/648210936.db2.gz RPJROVCNXPYXEP-MRXNPFEDSA-N 2 0 271.408 2.749 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548140 648210989 /nfs/dbraw/zinc/21/09/89/648210989.db2.gz RDMGDFFFIOGRSE-GOEBONIOSA-N 2 0 289.423 2.641 20 0 CFADRP CC1(C)[C@@H]([NH2+]C[C@]2(C)CCCS2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925551575 648212589 /nfs/dbraw/zinc/21/25/89/648212589.db2.gz HXFOBZCYEIEDOY-OSFYFWSMSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925553187 648213275 /nfs/dbraw/zinc/21/32/75/648213275.db2.gz OGWUNJUGQAAYJZ-ZACQAIPSSA-N 3 0 295.515 2.994 20 0 CFADRP COCCC1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCCC1 ZINC000925555547 648214541 /nfs/dbraw/zinc/21/45/41/648214541.db2.gz HIPWIBHMDPUIGJ-OWCLPIDISA-N 2 0 294.483 2.950 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000925554730 648214830 /nfs/dbraw/zinc/21/48/30/648214830.db2.gz BGSISUCQXAPDSA-FLOBVVSRSA-N 2 0 297.402 2.947 20 0 CFADRP CSc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925558194 648215599 /nfs/dbraw/zinc/21/55/99/648215599.db2.gz OLCIPMMSKSEIEJ-KGLIPLIRSA-N 2 0 262.422 2.768 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)sc1C ZINC000925559154 648216485 /nfs/dbraw/zinc/21/64/85/648216485.db2.gz IYVMXTWISDZWDD-VHDGCEQUSA-N 2 0 293.480 2.669 20 0 CFADRP CN(C)c1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925568315 648221268 /nfs/dbraw/zinc/22/12/68/648221268.db2.gz JCCCZDWOGWIKIJ-HUUCEWRRSA-N 2 0 275.440 2.748 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C2CC2)C12CCC2 ZINC000925569587 648221785 /nfs/dbraw/zinc/22/17/85/648221785.db2.gz GZOOAOPLGZHTCR-BRWVUGGUSA-N 2 0 270.420 2.867 20 0 CFADRP [NH3+][C@H]1C[C@H](NCc2ccccc2OC2CCC2)C12CCC2 ZINC000925568364 648222098 /nfs/dbraw/zinc/22/20/98/648222098.db2.gz KDYKAMZFOOIZKX-IRXDYDNUSA-N 2 0 286.419 2.977 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1cccc(Cl)c1 ZINC000925571257 648222984 /nfs/dbraw/zinc/22/29/84/648222984.db2.gz BTQCWJYZRWLKMX-QLFBSQMISA-N 2 0 294.826 2.887 20 0 CFADRP C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925572725 648223462 /nfs/dbraw/zinc/22/34/62/648223462.db2.gz NLJGSIBDXQQOKX-NUEKZKHPSA-N 2 0 282.472 2.541 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cc3ccccc3o2)C12CCC2 ZINC000925579416 648225258 /nfs/dbraw/zinc/22/52/58/648225258.db2.gz FMJOZUMISUCDJE-CVEARBPZSA-N 2 0 270.376 2.835 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)C1CC1 ZINC000925587463 648229454 /nfs/dbraw/zinc/22/94/54/648229454.db2.gz ZQGZVIXIPWQMLG-KCXAZCMYSA-N 2 0 250.430 2.790 20 0 CFADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(OCC(F)F)c2)C12CCC2 ZINC000925590309 648230531 /nfs/dbraw/zinc/23/05/31/648230531.db2.gz HFIWVCHUEZQOPR-KGLIPLIRSA-N 2 0 296.361 2.690 20 0 CFADRP [NH3+][C@H]1C[C@H](N[C@@H]2CCOc3c(F)cccc32)C12CCC2 ZINC000925605707 648236042 /nfs/dbraw/zinc/23/60/42/648236042.db2.gz SCDGJCNTJWIPRX-RDBSUJKOSA-N 2 0 276.355 2.509 20 0 CFADRP C(CCC[NH2+][C@@H]1CC[NH2+]C12CCC2)CCC[NH+]1CCCC1 ZINC000925610293 648238682 /nfs/dbraw/zinc/23/86/82/648238682.db2.gz ZJUZIVJMLZAOEQ-QGZVFWFLSA-N 2 0 293.499 2.907 20 0 CFADRP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)N1CCCCC1 ZINC000925613851 648239718 /nfs/dbraw/zinc/23/97/18/648239718.db2.gz TZFFGBJOXHXEAR-AEFFLSMTSA-N 2 0 289.467 2.931 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925612643 648239895 /nfs/dbraw/zinc/23/98/95/648239895.db2.gz MZOLCIPRPVLPOE-GJZGRUSLSA-N 2 0 291.439 2.864 20 0 CFADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000925617839 648241767 /nfs/dbraw/zinc/24/17/67/648241767.db2.gz SHNHUHIBTBLSHY-GDBMZVCRSA-N 2 0 291.439 2.537 20 0 CFADRP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925638903 648256159 /nfs/dbraw/zinc/25/61/59/648256159.db2.gz HJJQKSLSUUOLQV-BBBLOLIVSA-N 2 0 250.308 2.577 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000925620381 648243519 /nfs/dbraw/zinc/24/35/19/648243519.db2.gz VFXMDRAYBDFYMQ-WVIWSOBISA-N 2 0 282.431 2.678 20 0 CFADRP COc1cccc(C(C)(C)CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925621218 648243704 /nfs/dbraw/zinc/24/37/04/648243704.db2.gz GBSHSLYPNWHURC-OAHLLOKOSA-N 2 0 276.424 2.703 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925623260 648245453 /nfs/dbraw/zinc/24/54/53/648245453.db2.gz RYSNPRBGDDAVTJ-UYSNPLJNSA-N 2 0 280.456 2.987 20 0 CFADRP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCO1 ZINC000925631468 648250343 /nfs/dbraw/zinc/25/03/43/648250343.db2.gz ZLDBORQXIWPCTF-AHXQUXCHSA-N 2 0 292.467 2.556 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(Cl)cn2)C1 ZINC000925633555 648252488 /nfs/dbraw/zinc/25/24/88/648252488.db2.gz FFIHLHULXFWSEH-WCQYABFASA-N 2 0 267.804 2.731 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nccs1 ZINC000925648311 648260441 /nfs/dbraw/zinc/26/04/41/648260441.db2.gz SSTQGGYIHCIJSC-GRYCIOLGSA-N 2 0 267.442 2.742 20 0 CFADRP CC1(c2ccccc2)CC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000925652980 648262466 /nfs/dbraw/zinc/26/24/66/648262466.db2.gz BPAANPGGLKTZJG-GWNLHQRGSA-N 2 0 282.431 2.693 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1 ZINC000925653166 648262863 /nfs/dbraw/zinc/26/28/63/648262863.db2.gz WPEUZWNYXMBLOU-CYBMUJFWSA-N 2 0 254.324 2.854 20 0 CFADRP C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000925653648 648264140 /nfs/dbraw/zinc/26/41/40/648264140.db2.gz IVNGJWZZUOGVFV-XIRDDKMYSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@H](C)O1 ZINC000925655162 648264407 /nfs/dbraw/zinc/26/44/07/648264407.db2.gz QJKDFEYRGQXNMM-XLWJZTARSA-N 2 0 268.445 2.686 20 0 CFADRP C[C@](O)(C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCCC1 ZINC000925656013 648265085 /nfs/dbraw/zinc/26/50/85/648265085.db2.gz CYPQYSCHLWLVQM-CVYDXHPNSA-N 2 0 294.483 2.684 20 0 CFADRP C[C@@](O)(C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)C1CCCCC1 ZINC000925656015 648265501 /nfs/dbraw/zinc/26/55/01/648265501.db2.gz CYPQYSCHLWLVQM-KYHPRHEASA-N 2 0 294.483 2.684 20 0 CFADRP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)c1 ZINC000925658718 648266638 /nfs/dbraw/zinc/26/66/38/648266638.db2.gz ZCYBLGKKWSCAMO-XIYLBDPKSA-N 2 0 286.394 2.658 20 0 CFADRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccc3[nH]ccc32)C12CCC2 ZINC000925661516 648268604 /nfs/dbraw/zinc/26/86/04/648268604.db2.gz VPEPMEVHWFFZIB-HZPDHXFCSA-N 2 0 269.392 2.570 20 0 CFADRP CCSCCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925662558 648268868 /nfs/dbraw/zinc/26/88/68/648268868.db2.gz JFVOZEWFDXJNQQ-LSDHHAIUSA-N 2 0 270.486 2.888 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925667829 648270731 /nfs/dbraw/zinc/27/07/31/648270731.db2.gz DTCRIBOBAJDWHH-HUUCEWRRSA-N 2 0 276.449 2.909 20 0 CFADRP CCc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925670152 648271704 /nfs/dbraw/zinc/27/17/04/648271704.db2.gz IWMLVBBWWUNIPV-BRWVUGGUSA-N 2 0 290.451 2.778 20 0 CFADRP CCOCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925669785 648272434 /nfs/dbraw/zinc/27/24/34/648272434.db2.gz XRFCDFFUYOGNDT-OLZOCXBDSA-N 2 0 256.434 2.545 20 0 CFADRP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925670829 648272586 /nfs/dbraw/zinc/27/25/86/648272586.db2.gz OJZXWWMWYSCIRF-RCCFBDPRSA-N 2 0 293.499 2.619 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000925679477 648276321 /nfs/dbraw/zinc/27/63/21/648276321.db2.gz CZYHUBDUXVJPDJ-HOCLYGCPSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccccn1 ZINC000925679276 648277075 /nfs/dbraw/zinc/27/70/75/648277075.db2.gz IWWLCFHDTNZQON-ZIAGYGMSSA-N 2 0 275.440 2.855 20 0 CFADRP CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925693778 648282421 /nfs/dbraw/zinc/28/24/21/648282421.db2.gz SAHFEGDFVUOHQG-CABCVRRESA-N 2 0 282.472 2.541 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CS1 ZINC000925693462 648282450 /nfs/dbraw/zinc/28/24/50/648282450.db2.gz COIDQBHDYKFUHJ-FAAHXZRKSA-N 2 0 268.470 2.638 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CS1 ZINC000925693464 648282942 /nfs/dbraw/zinc/28/29/42/648282942.db2.gz COIDQBHDYKFUHJ-UQOMUDLDSA-N 2 0 268.470 2.638 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925696636 648284008 /nfs/dbraw/zinc/28/40/08/648284008.db2.gz AAAJACAWQDSHAO-HNNXBMFYSA-N 3 0 263.429 2.574 20 0 CFADRP [NH3+]C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc2ccccc2c1 ZINC000925700486 648284819 /nfs/dbraw/zinc/28/48/19/648284819.db2.gz QISFDVNSMSGKDK-ZWKOTPCHSA-N 2 0 295.430 2.714 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000925703211 648286266 /nfs/dbraw/zinc/28/62/66/648286266.db2.gz CFBSLPWBKNHFBC-WMZOPIPTSA-N 2 0 285.435 2.644 20 0 CFADRP Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925708877 648289852 /nfs/dbraw/zinc/28/98/52/648289852.db2.gz SWNHOMZLHGWKLH-IBOZADHJSA-N 2 0 288.410 2.651 20 0 CFADRP CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925710002 648290581 /nfs/dbraw/zinc/29/05/81/648290581.db2.gz BBEKAOLXSYBVCH-JSKKHFNMSA-N 2 0 288.410 2.733 20 0 CFADRP C[C@H]([NH3+])[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000925710362 648290648 /nfs/dbraw/zinc/29/06/48/648290648.db2.gz WUZZDZPZOXIDPI-IMJJTQAJSA-N 2 0 275.440 2.537 20 0 CFADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000925711098 648291285 /nfs/dbraw/zinc/29/12/85/648291285.db2.gz SPICLUFVJWOQHJ-AVFCGWEMSA-N 2 0 286.419 2.660 20 0 CFADRP CC(C)(C)N1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710924 648291349 /nfs/dbraw/zinc/29/13/49/648291349.db2.gz YGTOYDDDAWNEDW-DLBZAZTESA-N 2 0 289.467 2.929 20 0 CFADRP CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)CCCN3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925711776 648291686 /nfs/dbraw/zinc/29/16/86/648291686.db2.gz RLEIIKBQRKTOID-BPQIPLTHSA-N 2 0 299.462 2.911 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C12CCC2 ZINC000925713886 648293257 /nfs/dbraw/zinc/29/32/57/648293257.db2.gz VWYUXGVMLDUROS-LVQVYYBASA-N 2 0 256.393 2.650 20 0 CFADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc3c2CCOC3)C1 ZINC000925721553 648296668 /nfs/dbraw/zinc/29/66/68/648296668.db2.gz DYFITAJTZRCTOF-HZPDHXFCSA-N 2 0 288.435 2.755 20 0 CFADRP C[C@H]([NH3+])[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000925726820 648299813 /nfs/dbraw/zinc/29/98/13/648299813.db2.gz WLDNFKGBNDNEGL-ZYSHUDEJSA-N 2 0 297.446 2.625 20 0 CFADRP CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925726529 648299996 /nfs/dbraw/zinc/29/99/96/648299996.db2.gz JDZWDBHZHFFABN-INMHGKMJSA-N 2 0 287.451 2.669 20 0 CFADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925731193 648300967 /nfs/dbraw/zinc/30/09/67/648300967.db2.gz SEUKHEDBWMMKQI-ARFHVFGLSA-N 2 0 280.456 2.559 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CC(F)F ZINC000925732477 648301734 /nfs/dbraw/zinc/30/17/34/648301734.db2.gz BTRKIUDLEZXZRQ-IJLUTSLNSA-N 2 0 260.372 2.646 20 0 CFADRP COCC(C)(C)CC[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925732023 648301779 /nfs/dbraw/zinc/30/17/79/648301779.db2.gz WLQPUJUEABDYGL-STQMWFEESA-N 2 0 256.434 2.545 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1 ZINC000925736407 648302713 /nfs/dbraw/zinc/30/27/13/648302713.db2.gz FWQYDXKGNBMBNH-LBPRGKRZSA-N 2 0 250.386 2.782 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c(C)c1OC ZINC000925736567 648303086 /nfs/dbraw/zinc/30/30/86/648303086.db2.gz BOGDDLNDYVMENF-GFCCVEGCSA-N 2 0 280.412 2.790 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925735555 648303254 /nfs/dbraw/zinc/30/32/54/648303254.db2.gz WAOLRHZIWXTVJD-UMSGYPCISA-N 2 0 276.346 2.695 20 0 CFADRP CCC[C@H](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925734807 648303547 /nfs/dbraw/zinc/30/35/47/648303547.db2.gz VCMQURZSEPGAPH-XUWVNRHRSA-N 2 0 268.445 2.559 20 0 CFADRP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cc12 ZINC000925739118 648304740 /nfs/dbraw/zinc/30/47/40/648304740.db2.gz SUFOMEYHFLYOKQ-SNVBAGLBSA-N 2 0 280.441 2.721 20 0 CFADRP CC(C)([NH3+])CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000925739725 648305280 /nfs/dbraw/zinc/30/52/80/648305280.db2.gz DQZNVSRFJLFDCD-AWEZNQCLSA-N 2 0 250.361 2.920 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925741433 648305359 /nfs/dbraw/zinc/30/53/59/648305359.db2.gz QSMOWWMXVTYBRT-OAHLLOKOSA-N 2 0 262.397 2.790 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC(C)(C)[NH3+] ZINC000925741432 648305885 /nfs/dbraw/zinc/30/58/85/648305885.db2.gz QSMOWWMXVTYBRT-HNNXBMFYSA-N 2 0 262.397 2.790 20 0 CFADRP COc1ccccc1C[C@@H]([NH2+]CCC(C)(C)[NH3+])C(C)C ZINC000925742060 648306228 /nfs/dbraw/zinc/30/62/28/648306228.db2.gz OQGKTINZQKYOHH-OAHLLOKOSA-N 2 0 278.440 2.979 20 0 CFADRP CCC1([NH3+])CC[NH+]([C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000925756951 648310447 /nfs/dbraw/zinc/31/04/47/648310447.db2.gz CGXCKVMHQRSCOC-MRXNPFEDSA-N 2 0 274.408 2.973 20 0 CFADRP CCC1([NH3+])CCN([C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925760095 648311348 /nfs/dbraw/zinc/31/13/48/648311348.db2.gz JPNGHFFEPNRFMW-OWCLPIDISA-N 2 0 279.472 2.501 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@H]1CCCOC1 ZINC000925770427 648314612 /nfs/dbraw/zinc/31/46/12/648314612.db2.gz TUIFESXHPDPJHG-ZQIUZPCESA-N 2 0 291.439 2.705 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000925774015 648317818 /nfs/dbraw/zinc/31/78/18/648317818.db2.gz JLXINVXAEHPEIX-SWLSCSKDSA-N 2 0 291.439 2.705 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCC=CCC1 ZINC000925780229 648319902 /nfs/dbraw/zinc/31/99/02/648319902.db2.gz PPZPOGFAVNERGA-LBPRGKRZSA-N 2 0 259.397 2.998 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)C1CCC1 ZINC000925779373 648319933 /nfs/dbraw/zinc/31/99/33/648319933.db2.gz XVRQAWABSNOZET-STQMWFEESA-N 2 0 260.372 2.790 20 0 CFADRP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2C)C2CCC2)o1 ZINC000925783511 648322037 /nfs/dbraw/zinc/32/20/37/648322037.db2.gz FHFIOTIWOSRZPJ-DIOULYMOSA-N 2 0 262.397 2.874 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc2c(s1)CCC2 ZINC000925785741 648322776 /nfs/dbraw/zinc/32/27/76/648322776.db2.gz OSVCGZYJTMKMRT-MDZLAQPJSA-N 2 0 264.438 2.743 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925786138 648323554 /nfs/dbraw/zinc/32/35/54/648323554.db2.gz VZGSVUZBVMSVAA-CHWSQXEVSA-N 2 0 260.372 2.956 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925787866 648324303 /nfs/dbraw/zinc/32/43/03/648324303.db2.gz VYVHLKSKJPSANT-NFAWXSAZSA-N 2 0 272.392 2.809 20 0 CFADRP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000925791189 648325133 /nfs/dbraw/zinc/32/51/33/648325133.db2.gz OXFRFSSMFNJYPK-AGIUHOORSA-N 2 0 252.427 2.514 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000925797502 648326432 /nfs/dbraw/zinc/32/64/32/648326432.db2.gz HRTODRJBQSDVGO-VNHYZAJKSA-N 2 0 292.423 2.600 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925796793 648326764 /nfs/dbraw/zinc/32/67/64/648326764.db2.gz FGNYDPHLJXMHIC-UMVBOHGHSA-N 2 0 262.397 2.591 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000925797978 648326870 /nfs/dbraw/zinc/32/68/70/648326870.db2.gz JAHWNDGTGLHQJW-XJKCOSOUSA-N 2 0 274.408 2.518 20 0 CFADRP CC(C)[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cn1 ZINC000925795168 648326876 /nfs/dbraw/zinc/32/68/76/648326876.db2.gz GRIQEEPWIJZKMO-IOASZLSFSA-N 2 0 279.403 2.753 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1F ZINC000925800878 648327333 /nfs/dbraw/zinc/32/73/33/648327333.db2.gz ZWYTYGKWKVCRJB-GRYCIOLGSA-N 2 0 268.351 2.861 20 0 CFADRP CCOc1cccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925799164 648327416 /nfs/dbraw/zinc/32/74/16/648327416.db2.gz MRNALKCJOCALCB-IIAWOOMASA-N 2 0 276.424 2.982 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)[C@@H](C)O1 ZINC000925806375 648328978 /nfs/dbraw/zinc/32/89/78/648328978.db2.gz CNNXYMXCBDREKH-IIAWOOMASA-N 2 0 268.445 2.702 20 0 CFADRP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CCOCC1 ZINC000925809751 648330797 /nfs/dbraw/zinc/33/07/97/648330797.db2.gz WIHNVCOOCUJMGQ-OAHLLOKOSA-N 2 0 282.472 2.951 20 0 CFADRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2c[nH]c(=O)c3ccccc23)C1 ZINC000925813511 648332018 /nfs/dbraw/zinc/33/20/18/648332018.db2.gz UPBSKOANCXFEMB-UONOGXRCSA-N 2 0 299.418 2.936 20 0 CFADRP c1cc(CN2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000925817564 648332849 /nfs/dbraw/zinc/33/28/49/648332849.db2.gz QFRSRTQLAQHEGE-GOSISDBHSA-N 2 0 299.462 2.514 20 0 CFADRP Cc1cnc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000925832041 648337487 /nfs/dbraw/zinc/33/74/87/648337487.db2.gz BAAKJZZHYMASFQ-CYBMUJFWSA-N 2 0 284.407 2.711 20 0 CFADRP COc1ccc2ccccc2c1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925834864 648338229 /nfs/dbraw/zinc/33/82/29/648338229.db2.gz PBVRVNZYXWGQMK-GDBMZVCRSA-N 2 0 298.430 2.979 20 0 CFADRP c1ccc2c(c1)CCN2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925838218 648339341 /nfs/dbraw/zinc/33/93/41/648339341.db2.gz WFRVVEJDPJONAH-KSZLIROESA-N 2 0 299.462 2.559 20 0 CFADRP Cc1c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cnn1C(C)C ZINC000925842244 648341592 /nfs/dbraw/zinc/34/15/92/648341592.db2.gz ZWOMTDVKZFBNGL-IAOVAPTHSA-N 2 0 290.455 2.955 20 0 CFADRP CC(C)=CCC[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843325 648342052 /nfs/dbraw/zinc/34/20/52/648342052.db2.gz DZIZMCYMHIZGJQ-KRWDZBQOSA-N 2 0 281.488 2.786 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)o1 ZINC000925845824 648342949 /nfs/dbraw/zinc/34/29/49/648342949.db2.gz RKSORYKIICUPKT-OAHLLOKOSA-N 2 0 293.455 2.568 20 0 CFADRP C1CC2(C1)C[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCS2 ZINC000925856335 648345626 /nfs/dbraw/zinc/34/56/26/648345626.db2.gz FIAKOBAFWNZPSF-OLZOCXBDSA-N 2 0 266.454 2.679 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCS1 ZINC000925862229 648347699 /nfs/dbraw/zinc/34/76/99/648347699.db2.gz YNSMUZAPJUOPOB-XGFWRYKXSA-N 2 0 268.470 2.637 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000925861472 648348118 /nfs/dbraw/zinc/34/81/18/648348118.db2.gz QFUNBAIHMGQDMO-HZSPNIEDSA-N 2 0 268.470 2.782 20 0 CFADRP Cc1ccc(NCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)nc1 ZINC000925878675 648353102 /nfs/dbraw/zinc/35/31/02/648353102.db2.gz XWIPUTMNJHPTMR-KRWDZBQOSA-N 2 0 298.434 2.872 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)c1OC ZINC000925877382 648353319 /nfs/dbraw/zinc/35/33/19/648353319.db2.gz QHIZYYWWXGJNQS-HIFRSBDPSA-N 2 0 292.423 2.619 20 0 CFADRP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000925880135 648353965 /nfs/dbraw/zinc/35/39/65/648353965.db2.gz ONLWYMRFIXIGGQ-MAZHCROVSA-N 2 0 259.397 2.640 20 0 CFADRP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925882334 648354412 /nfs/dbraw/zinc/35/44/12/648354412.db2.gz KZTMQRWLWBHVIJ-YUTCNCBUSA-N 2 0 252.427 2.786 20 0 CFADRP CC1(C)CC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883132 648354583 /nfs/dbraw/zinc/35/45/83/648354583.db2.gz WGCFRSQVQVPULA-INMHGKMJSA-N 2 0 258.409 2.824 20 0 CFADRP CCn1ccnc1[C@H](C)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882549 648354690 /nfs/dbraw/zinc/35/46/90/648354690.db2.gz QERTUNXMRTWDLC-QILLFSRXSA-N 2 0 298.434 2.613 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925881605 648354772 /nfs/dbraw/zinc/35/47/72/648354772.db2.gz JSRCGSHGXBIHTA-WNRNVDISSA-N 2 0 288.435 2.593 20 0 CFADRP c1nn(-c2cc[nH+]cc2)cc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925991753 648379987 /nfs/dbraw/zinc/37/99/87/648379987.db2.gz FHLGXFOGWDBAIO-DLBZAZTESA-N 2 0 297.406 2.696 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000926113917 648408605 /nfs/dbraw/zinc/40/86/05/648408605.db2.gz JQZKPAFLOLUQJN-UHFFFAOYSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc(C[NH+](C)C)c1 ZINC000926142255 648415415 /nfs/dbraw/zinc/41/54/15/648415415.db2.gz OLHMTSXFBNHSCL-LSDHHAIUSA-N 2 0 276.424 2.825 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000926177524 648425392 /nfs/dbraw/zinc/42/53/92/648425392.db2.gz MOLUPOMFVALJNR-UHFFFAOYSA-N 2 0 282.472 2.903 20 0 CFADRP CCOC[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926225600 648439905 /nfs/dbraw/zinc/43/99/05/648439905.db2.gz XXLBXYOIXHODNT-AWEZNQCLSA-N 2 0 256.434 2.512 20 0 CFADRP CCOC[C@H](C)[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926224752 648440136 /nfs/dbraw/zinc/44/01/36/648440136.db2.gz QBZBRBBHGHXKRO-UONOGXRCSA-N 2 0 264.413 2.824 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc(C[NH+](C)C)c1 ZINC000926230025 648441827 /nfs/dbraw/zinc/44/18/27/648441827.db2.gz XTQMOGDSUDSKGY-QILLFSRXSA-N 2 0 290.451 2.950 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(C[NH+](C)C)c1 ZINC000926230716 648442689 /nfs/dbraw/zinc/44/26/89/648442689.db2.gz WLGBBRHBGHCAEW-WMLDXEAASA-N 2 0 298.434 2.610 20 0 CFADRP C[C@@H]1CC2(CC([NH2+]CC(C)(C)C[NH+]3CCCC3)C2)CO1 ZINC000926275788 648453409 /nfs/dbraw/zinc/45/34/09/648453409.db2.gz QLCGFNFOEFMXQN-HPUBIQBYSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000926276617 648454098 /nfs/dbraw/zinc/45/40/98/648454098.db2.gz YPOFFRURIMLBJQ-JKSUJKDBSA-N 2 0 282.472 2.759 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926287078 648455252 /nfs/dbraw/zinc/45/52/52/648455252.db2.gz MFIAQUFOLDGOHM-GRDNDAEWSA-N 2 0 276.424 2.824 20 0 CFADRP C([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311394 648459579 /nfs/dbraw/zinc/45/95/79/648459579.db2.gz YCGYPWCOQXWPJG-AEFFLSMTSA-N 2 0 292.467 2.656 20 0 CFADRP C([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C1CC[NH+](C2CC2)CC1 ZINC000926311274 648459686 /nfs/dbraw/zinc/45/96/86/648459686.db2.gz XXHKMXQYRNTRIY-AEFFLSMTSA-N 2 0 292.467 2.656 20 0 CFADRP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337483 648466079 /nfs/dbraw/zinc/46/60/79/648466079.db2.gz PRGZUJRULZQBOZ-RRLIJXGGSA-N 2 0 260.425 2.948 20 0 CFADRP CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926422313 648483128 /nfs/dbraw/zinc/48/31/28/648483128.db2.gz SRBALZPMUNCVLM-YOEHRIQHSA-N 2 0 278.440 2.663 20 0 CFADRP CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926422310 648483282 /nfs/dbraw/zinc/48/32/82/648483282.db2.gz SRBALZPMUNCVLM-WMLDXEAASA-N 2 0 278.440 2.663 20 0 CFADRP CSC1(C[NH2+][C@H](C)c2ccns2)CC[NH+](C)CC1 ZINC000926448206 648491061 /nfs/dbraw/zinc/49/10/61/648491061.db2.gz LFFVRYGYPIBMBC-LLVKDONJSA-N 2 0 285.482 2.621 20 0 CFADRP Cc1nccnc1CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926489588 648506926 /nfs/dbraw/zinc/50/69/26/648506926.db2.gz IRPJHBMSQHHSDG-CQSZACIVSA-N 2 0 298.434 2.740 20 0 CFADRP C[C@@H](CCO)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926501493 648511366 /nfs/dbraw/zinc/51/13/66/648511366.db2.gz YDVMFTUNVWHLJB-CABCVRRESA-N 2 0 278.440 2.807 20 0 CFADRP C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926517190 648516646 /nfs/dbraw/zinc/51/66/46/648516646.db2.gz WUBVVDLHPXIHLE-KBPBESRZSA-N 2 0 278.440 2.948 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000926558418 648532689 /nfs/dbraw/zinc/53/26/89/648532689.db2.gz IIMGVILJKJSARO-HNNXBMFYSA-N 2 0 298.434 2.740 20 0 CFADRP COCC[C@@H](C)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926576400 648540315 /nfs/dbraw/zinc/54/03/15/648540315.db2.gz CQSMCUDKIKIGIJ-OAHLLOKOSA-N 2 0 270.461 2.759 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1(Cl)CC1 ZINC000926581079 648541458 /nfs/dbraw/zinc/54/14/58/648541458.db2.gz GLPDDAIUEWUSST-QEJZJMRPSA-N 2 0 293.842 2.824 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000926607075 648550578 /nfs/dbraw/zinc/55/05/78/648550578.db2.gz QUQHNSQTNBZTQT-UHFFFAOYSA-N 3 0 295.515 2.959 20 0 CFADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCS[C@H]2C)CC1 ZINC000926643618 648559850 /nfs/dbraw/zinc/55/98/50/648559850.db2.gz WAXKQHAZJITMRE-DZGCQCFKSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926644462 648560018 /nfs/dbraw/zinc/56/00/18/648560018.db2.gz GYPVRWVCLIWKAG-GOOCMWNKSA-N 2 0 270.486 2.981 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926646058 648560275 /nfs/dbraw/zinc/56/02/75/648560275.db2.gz UNUUEXZHGLELHM-SJORKVTESA-N 2 0 284.488 2.885 20 0 CFADRP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000926761719 648605803 /nfs/dbraw/zinc/60/58/03/648605803.db2.gz FEIXKTOTDKZYJO-YOEHRIQHSA-N 2 0 273.424 2.619 20 0 CFADRP C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(C[NH+](C)C)c1 ZINC000926766777 648607804 /nfs/dbraw/zinc/60/78/04/648607804.db2.gz DZRPEIFOUCACIZ-KKXDTOCCSA-N 2 0 288.435 2.966 20 0 CFADRP C[C@H]([NH2+]CCN(C)CC(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926776678 648611528 /nfs/dbraw/zinc/61/15/28/648611528.db2.gz WKTHWLLYFKVYCK-ZDUSSCGKSA-N 2 0 299.409 2.596 20 0 CFADRP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(C[NH+](C)C)c1 ZINC000926783150 648614241 /nfs/dbraw/zinc/61/42/41/648614241.db2.gz PFHSNZOHFGHDSO-WBOJAVRRSA-N 2 0 276.424 2.965 20 0 CFADRP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000926791629 648617823 /nfs/dbraw/zinc/61/78/23/648617823.db2.gz SWVGYOPUEJVURU-AWEZNQCLSA-N 2 0 276.428 2.638 20 0 CFADRP C[C@@H]1COC[C@@H](C)C1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926796819 648619482 /nfs/dbraw/zinc/61/94/82/648619482.db2.gz NDTVZERYRNBJIQ-NOZYUVCASA-N 2 0 268.445 2.510 20 0 CFADRP CC[C@@H](C[C@@H](C)O)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000926816198 648627394 /nfs/dbraw/zinc/62/73/94/648627394.db2.gz LBQNETTTYJKITI-CABCVRRESA-N 2 0 270.461 2.636 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)CC[N@@H+]1C ZINC000926917097 648656545 /nfs/dbraw/zinc/65/65/45/648656545.db2.gz SHTDYZRXVIAVCV-FDYHWXHSSA-N 2 0 294.361 2.559 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926948289 648668258 /nfs/dbraw/zinc/66/82/58/648668258.db2.gz KDXXQQDBQGQWEK-LOWDOPEQSA-N 2 0 276.346 2.791 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)C1CC[NH+](C)CC1 ZINC000927037691 648689435 /nfs/dbraw/zinc/68/94/35/648689435.db2.gz KJWKAFIPZOHWJN-FAEJEUNOSA-N 3 0 293.499 2.713 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccnnc1 ZINC000927036278 648689741 /nfs/dbraw/zinc/68/97/41/648689741.db2.gz GXRUFEUUMYMBHM-IUDNXUCKSA-N 2 0 274.412 2.534 20 0 CFADRP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000927040093 648690224 /nfs/dbraw/zinc/69/02/24/648690224.db2.gz WSHOLIZGMAATNR-ISXOHVOVSA-N 2 0 288.439 2.715 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCCO1 ZINC000927040609 648690608 /nfs/dbraw/zinc/69/06/08/648690608.db2.gz ZEJTZXJPZOGWNR-KZYLPZIUSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000927099038 648711447 /nfs/dbraw/zinc/71/14/47/648711447.db2.gz MBYRIJBHTLBFMH-MBOZISHXSA-N 2 0 280.456 2.510 20 0 CFADRP C(C[C@@H]1CCC2(CCC2)O1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000927127443 648721807 /nfs/dbraw/zinc/72/18/07/648721807.db2.gz HIPJCHIIUGDKJE-KRWDZBQOSA-N 2 0 292.467 2.942 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](COC)C(C)C)CC1 ZINC000929277781 649021544 /nfs/dbraw/zinc/02/15/44/649021544.db2.gz UYHIOAJSVGGIGV-KRWDZBQOSA-N 2 0 284.488 2.959 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C/C=C/C(=O)OCC)CC1 ZINC000929297236 649027569 /nfs/dbraw/zinc/02/75/69/649027569.db2.gz PLUZHLIXTXFKPW-BQYQJAHWSA-N 2 0 296.455 2.550 20 0 CFADRP CCc1onc(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000929326931 649031248 /nfs/dbraw/zinc/03/12/48/649031248.db2.gz BMJXIZNJZGJJNH-UHFFFAOYSA-N 2 0 279.428 2.709 20 0 CFADRP CC[C@@H]1C[C@H]1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000929428619 649047761 /nfs/dbraw/zinc/04/77/61/649047761.db2.gz SYDZVQPMLAIHLC-TVFCKZIOSA-N 2 0 293.499 2.523 20 0 CFADRP COC/C(C)=C\C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000929505379 649063202 /nfs/dbraw/zinc/06/32/02/649063202.db2.gz ISLYCYVIHPADFK-UUASQNMZSA-N 2 0 268.445 2.631 20 0 CFADRP COC[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000929687534 649096482 /nfs/dbraw/zinc/09/64/82/649096482.db2.gz MNPYYUMRSQADOF-IRXDYDNUSA-N 2 0 282.472 2.855 20 0 CFADRP CC(F)(F)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695684 649099191 /nfs/dbraw/zinc/09/91/91/649099191.db2.gz IKHNMJITTFRZFE-CYBMUJFWSA-N 2 0 260.372 2.840 20 0 CFADRP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000929700703 649101009 /nfs/dbraw/zinc/10/10/09/649101009.db2.gz GUJLQTOXZVUDKO-HNNXBMFYSA-N 2 0 276.424 2.777 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)CCc2cccc(F)c2)CCN1C ZINC000929783715 649120895 /nfs/dbraw/zinc/12/08/95/649120895.db2.gz ZAXKXKLMNJDNQS-CZUORRHYSA-N 2 0 264.388 2.783 20 0 CFADRP CC[C@@H](CO)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000929842736 649137008 /nfs/dbraw/zinc/13/70/08/649137008.db2.gz UTSHBVXMYJJOFY-WBVHZDCISA-N 2 0 282.472 2.734 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]1 ZINC000930146154 649193506 /nfs/dbraw/zinc/19/35/06/649193506.db2.gz QVGSLXVMZFTCEZ-UHFFFAOYSA-N 2 0 278.444 2.580 20 0 CFADRP C[N@@H+]1CCCC12CC[NH+](CCCc1cccnc1)CC2 ZINC000930171004 649197258 /nfs/dbraw/zinc/19/72/58/649197258.db2.gz JMIPFSFFWVNGBU-UHFFFAOYSA-N 2 0 273.424 2.574 20 0 CFADRP CN(C)[C@@H]1[C@H]2C[N@H+](CC3CCC(C(F)(F)F)CC3)C[C@H]21 ZINC000931279070 649400546 /nfs/dbraw/zinc/40/05/46/649400546.db2.gz XHLGDWMBAXQJCO-TWASESMYSA-N 2 0 290.373 2.847 20 0 CFADRP C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000931284194 649401441 /nfs/dbraw/zinc/40/14/41/649401441.db2.gz SPYSUUBASAQATI-WDNDVIMCSA-N 2 0 284.325 2.697 20 0 CFADRP COCc1cccc(CN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000931310784 649405413 /nfs/dbraw/zinc/40/54/13/649405413.db2.gz HTFDJCJPMCVIAE-QZTJIDSGSA-N 2 0 288.435 2.607 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@H]1CN1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314387 649405798 /nfs/dbraw/zinc/40/57/98/649405798.db2.gz NLQPZUCXAVAVNT-OKZBNKHCSA-N 2 0 293.499 2.523 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314386 649406561 /nfs/dbraw/zinc/40/65/61/649406561.db2.gz NLQPZUCXAVAVNT-KZNAEPCWSA-N 2 0 293.499 2.523 20 0 CFADRP C[NH+](C)C1(C)CC[NH+](CCCC2CCOCC2)CC1 ZINC000931352374 649413761 /nfs/dbraw/zinc/41/37/61/649413761.db2.gz JNTIZCMEVQGCIH-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1nc(C)c(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)[nH]1 ZINC000931563105 649455050 /nfs/dbraw/zinc/45/50/50/649455050.db2.gz FGRUDCYTOVGOOL-UHFFFAOYSA-N 2 0 292.471 2.826 20 0 CFADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931808380 649493443 /nfs/dbraw/zinc/49/34/43/649493443.db2.gz FIPFHAKPNNISHA-FUHWJXTLSA-N 2 0 298.430 2.729 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931932541 649514441 /nfs/dbraw/zinc/51/44/41/649514441.db2.gz VEERDJLEHNAQGO-KURKYZTESA-N 2 0 270.420 2.744 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000932275213 649572846 /nfs/dbraw/zinc/57/28/46/649572846.db2.gz NLQBBLFUSWOCIO-RYQLBKOJSA-N 2 0 290.451 2.567 20 0 CFADRP C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305761366 651076356 /nfs/dbraw/zinc/07/63/56/651076356.db2.gz DVOSWARIUSQOMM-CJNGLKHVSA-N 2 0 292.423 2.556 20 0 CFADRP CC[NH+](CC)C1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC001165050916 722000718 /nfs/dbraw/zinc/00/07/18/722000718.db2.gz ATMRMUAYXSTRBV-UHFFFAOYSA-N 2 0 272.396 2.874 20 0 CFADRP CCCC[C@H](CC)C[N@@H+]1CCC12CN(c1c[nH+]cn1C)C2 ZINC001277765348 777804821 /nfs/dbraw/zinc/80/48/21/777804821.db2.gz FLRDQBRSDRLGHU-HNNXBMFYSA-N 2 0 290.455 2.901 20 0 CFADRP Cn1c[nH+]cc1N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277769844 777806023 /nfs/dbraw/zinc/80/60/23/777806023.db2.gz WHCGWPJFPJZUSL-KRWDZBQOSA-N 2 0 288.439 2.655 20 0 CFADRP [NH3+]CCCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001235948390 778622775 /nfs/dbraw/zinc/62/27/75/778622775.db2.gz QOURBSKJUPQQBS-ZDUSSCGKSA-N 2 0 252.789 2.868 20 0 CFADRP COc1cc(C)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206768148 769873069 /nfs/dbraw/zinc/87/30/69/769873069.db2.gz HRULWQHKIJMQGY-ZIAGYGMSSA-N 2 0 262.397 2.563 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC001207952305 769839211 /nfs/dbraw/zinc/83/92/11/769839211.db2.gz RBMOHPHMFPYGRO-UHFFFAOYSA-N 2 0 276.424 2.938 20 0 CFADRP C[NH+](C)CC1(C[NH+]2CC3(C2)CCCC3)CCCC1 ZINC001208183728 769894534 /nfs/dbraw/zinc/89/45/34/769894534.db2.gz FNGDAAWCWHPFLR-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@H](CC[N@H+](C)CCN1CC[NH+](C)CC1)CC(C)(C)C ZINC001208662793 769917944 /nfs/dbraw/zinc/91/79/44/769917944.db2.gz FAFULXALWAHCAA-MRXNPFEDSA-N 2 0 283.504 2.628 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001208903769 769961044 /nfs/dbraw/zinc/96/10/44/769961044.db2.gz VHKYMQLBROADSP-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000721418801 770138114 /nfs/dbraw/zinc/13/81/14/770138114.db2.gz YCJOPPPFUOHULO-CHWSQXEVSA-N 2 0 294.361 2.559 20 0 CFADRP CC[NH+](CC)Cc1cccc(N[C@H]2CC[N@H+](C)C2)c1F ZINC001167281203 770206745 /nfs/dbraw/zinc/20/67/45/770206745.db2.gz OHSTYAPRGAPVPI-AWEZNQCLSA-N 2 0 279.403 2.784 20 0 CFADRP Cc1cc(F)cc(C)c1CN1CC[NH2+][C@@H](C)CC1 ZINC001210518214 770303216 /nfs/dbraw/zinc/30/32/16/770303216.db2.gz CWFUCVFCVIKNMX-ZDUSSCGKSA-N 2 0 250.361 2.626 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001207189701 770579508 /nfs/dbraw/zinc/57/95/08/770579508.db2.gz DGFXTZZRBMAWMZ-AIANPOQGSA-N 2 0 290.838 2.937 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000723623024 770623471 /nfs/dbraw/zinc/62/34/71/770623471.db2.gz YPWJPBXXLQNVQG-BRWVUGGUSA-N 2 0 280.456 2.657 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000723694705 770651688 /nfs/dbraw/zinc/65/16/88/770651688.db2.gz GXHNRSHGUUZEPD-HNNXBMFYSA-N 2 0 262.397 2.646 20 0 CFADRP CSc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000723712466 770654665 /nfs/dbraw/zinc/65/46/65/770654665.db2.gz GWUNBMIWDVDLHG-CYBMUJFWSA-N 2 0 250.411 2.579 20 0 CFADRP CS[C@@H]1CC[C@@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)C1 ZINC000707351554 770663126 /nfs/dbraw/zinc/66/31/26/770663126.db2.gz KBIUQWACCBCJRI-MGPQQGTHSA-N 2 0 256.459 2.592 20 0 CFADRP Cc1cc(C)nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000723845699 770682026 /nfs/dbraw/zinc/68/20/26/770682026.db2.gz KRVMMULJWIUURI-QEJZJMRPSA-N 2 0 261.413 2.504 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1CC[NH3+] ZINC000723892307 770707682 /nfs/dbraw/zinc/70/76/82/770707682.db2.gz WOCHMDNRTSZJAY-VXGBXAGGSA-N 2 0 291.420 2.820 20 0 CFADRP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921403 770714878 /nfs/dbraw/zinc/71/48/78/770714878.db2.gz GUKURWVONUIRRO-NQBHXWOUSA-N 2 0 268.351 2.943 20 0 CFADRP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723921405 770715104 /nfs/dbraw/zinc/71/51/04/770715104.db2.gz GUKURWVONUIRRO-NTZNESFSSA-N 2 0 268.351 2.943 20 0 CFADRP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)[C@H]1CCCOC1 ZINC000724015781 770753867 /nfs/dbraw/zinc/75/38/67/770753867.db2.gz WYOFXVSZADVVIH-DOTOQJQBSA-N 2 0 282.472 2.902 20 0 CFADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000693558958 770839189 /nfs/dbraw/zinc/83/91/89/770839189.db2.gz HUSQCPXKLQOFSH-CALCHBBNSA-N 2 0 258.409 2.678 20 0 CFADRP C[NH+]1CCC2(C[NH+](CCC3CCCCC3)C2)CC1 ZINC001207261564 770855833 /nfs/dbraw/zinc/85/58/33/770855833.db2.gz XFUFDQCDZGGEFC-UHFFFAOYSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H](C[NH+](C)C)O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001224136146 775109056 /nfs/dbraw/zinc/10/90/56/775109056.db2.gz ZZQOJVLAZLXKQA-HOCLYGCPSA-N 2 0 264.413 2.646 20 0 CFADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000721550577 775151114 /nfs/dbraw/zinc/15/11/14/775151114.db2.gz PMAVKGZGJYGHBV-LZWOXQAQSA-N 2 0 280.456 2.654 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721552732 775157486 /nfs/dbraw/zinc/15/74/86/775157486.db2.gz BKOWTNBDTWJFNR-HUUCEWRRSA-N 2 0 270.461 2.900 20 0 CFADRP CSCc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000725113817 775275266 /nfs/dbraw/zinc/27/52/66/775275266.db2.gz ISMSWDXQKKCNKC-ZDUSSCGKSA-N 2 0 266.454 2.837 20 0 CFADRP C[N@@H+]1CCC[C@H]1CO[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001224821001 775283554 /nfs/dbraw/zinc/28/35/54/775283554.db2.gz YNQABTSFBIOTRW-ROUUACIJSA-N 2 0 288.435 2.762 20 0 CFADRP C[C@H](C[NH+](C)C)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001224830187 775284685 /nfs/dbraw/zinc/28/46/85/775284685.db2.gz MWPVUSJRMDOQHI-AEFFLSMTSA-N 2 0 290.451 2.865 20 0 CFADRP CC[NH+](CC)CCO[C@H]1CCCN(c2ccc(C)cn2)C1 ZINC001224932265 775309135 /nfs/dbraw/zinc/30/91/35/775309135.db2.gz XGPXEMVDXDPKPW-INIZCTEOSA-N 2 0 291.439 2.717 20 0 CFADRP C[NH+](C)Cc1ccc(O[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001225331212 775413827 /nfs/dbraw/zinc/41/38/27/775413827.db2.gz YCZYZBNBLOQZFX-OAHLLOKOSA-N 2 0 262.397 2.611 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000721603082 775426753 /nfs/dbraw/zinc/42/67/53/775426753.db2.gz MXWBHNRSVYTLPJ-MCIONIFRSA-N 2 0 256.434 2.510 20 0 CFADRP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708822287 775469319 /nfs/dbraw/zinc/46/93/19/775469319.db2.gz NBCLRVDXTRXBQY-HZPDHXFCSA-N 2 0 282.472 2.638 20 0 CFADRP CC(C)OC1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000695086902 775661143 /nfs/dbraw/zinc/66/11/43/775661143.db2.gz MVGZPEZDEGMXDJ-UHFFFAOYSA-N 2 0 256.434 2.785 20 0 CFADRP CSC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCCC1 ZINC000328558386 775749535 /nfs/dbraw/zinc/74/95/35/775749535.db2.gz COJCICBHBDFURC-LXFSFDBISA-N 2 0 280.481 2.638 20 0 CFADRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)c(F)cc1OC ZINC001277127416 775818258 /nfs/dbraw/zinc/81/82/58/775818258.db2.gz GHDWIAUQEQLIQS-GOOCMWNKSA-N 2 0 292.398 2.858 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Cc1cccs1 ZINC000925519180 775841749 /nfs/dbraw/zinc/84/17/49/775841749.db2.gz SSBFFTDPAPSVBF-YUTCNCBUSA-N 2 0 264.438 2.786 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1(Cl)CC1 ZINC000695638982 775901257 /nfs/dbraw/zinc/90/12/57/775901257.db2.gz QBVKNKDKBXJVKX-NSHDSACASA-N 2 0 258.837 2.999 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cc[nH+]c(N)c2)C1 ZINC001226651750 775903132 /nfs/dbraw/zinc/90/31/32/775903132.db2.gz BANYMYWSCYOUQM-UKRRQHHQSA-N 2 0 298.390 2.663 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CCC1CC[NH+](C)CC1)CC2 ZINC001207480153 775943332 /nfs/dbraw/zinc/94/33/32/775943332.db2.gz VBGMMFMYLYPLCG-UHFFFAOYSA-N 2 0 288.435 2.785 20 0 CFADRP CCN(C)c1cc(NCCC[N@@H+]2CCCC[C@@H]2C)ncn1 ZINC001167750943 776080091 /nfs/dbraw/zinc/08/00/91/776080091.db2.gz FUZFEVGPPCJQRI-AWEZNQCLSA-N 2 0 291.443 2.609 20 0 CFADRP C[NH+](C)Cc1ccc(-c2ccccc2N2CC[NH2+]CC2)cc1 ZINC001204641359 776087317 /nfs/dbraw/zinc/08/73/17/776087317.db2.gz CBCPTFHZJLYKFB-UHFFFAOYSA-N 2 0 295.430 2.825 20 0 CFADRP CC(C)Oc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)ccc1F ZINC001222553623 776173238 /nfs/dbraw/zinc/17/32/38/776173238.db2.gz ZRBRNJNMFXSGIE-UHFFFAOYSA-N 2 0 298.377 2.876 20 0 CFADRP CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001277228436 776249536 /nfs/dbraw/zinc/24/95/36/776249536.db2.gz VDJGOWWIHKVFGH-AWEZNQCLSA-N 2 0 297.487 2.534 20 0 CFADRP FC(F)(F)SCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692871121 776467420 /nfs/dbraw/zinc/46/74/20/776467420.db2.gz FGFZLMYTJKURQS-GFCCVEGCSA-N 2 0 296.402 2.951 20 0 CFADRP CCOC1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167824014 776542294 /nfs/dbraw/zinc/54/22/94/776542294.db2.gz AWGBQGKCRXEYAK-HNNXBMFYSA-N 2 0 270.461 2.998 20 0 CFADRP CCCO[C@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C1 ZINC001167824710 776543379 /nfs/dbraw/zinc/54/33/79/776543379.db2.gz FUYFCQPLKOZMQV-CVEARBPZSA-N 2 0 270.461 2.998 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001167827247 776549666 /nfs/dbraw/zinc/54/96/66/776549666.db2.gz VEIAQRVEFVENES-SJORKVTESA-N 2 0 281.488 2.667 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001167827243 776549706 /nfs/dbraw/zinc/54/97/06/776549706.db2.gz VEIAQRVEFVENES-DLBZAZTESA-N 2 0 281.488 2.667 20 0 CFADRP CC[C@@H]1COCC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167836770 776587219 /nfs/dbraw/zinc/58/72/19/776587219.db2.gz GWPNWNMBJKUGHW-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP CCN1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]1C ZINC001167836222 776587722 /nfs/dbraw/zinc/58/77/22/776587722.db2.gz XUFKNHWASOGSLU-JKSUJKDBSA-N 2 0 269.477 2.523 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001167837450 776588717 /nfs/dbraw/zinc/58/87/17/776588717.db2.gz KNTYJZCZQLFULV-YESZJQIVSA-N 2 0 281.488 2.523 20 0 CFADRP c1ccc(-c2c[nH+]ccc2NCC[NH+]2CCSCC2)cc1 ZINC001167837546 776588790 /nfs/dbraw/zinc/58/87/90/776588790.db2.gz RMYUHIHJKOQQBI-UHFFFAOYSA-N 2 0 299.443 2.631 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC[C@@H](OC)C1 ZINC001167838709 776591736 /nfs/dbraw/zinc/59/17/36/776591736.db2.gz WHOMEGQHKIOXKP-LSDHHAIUSA-N 2 0 256.434 2.608 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001167842839 776614622 /nfs/dbraw/zinc/61/46/22/776614622.db2.gz ZDPMOMIWXUMQJW-WBVHZDCISA-N 2 0 296.455 2.669 20 0 CFADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167894048 776730183 /nfs/dbraw/zinc/73/01/83/776730183.db2.gz MTXSYSXQYJPVEE-ZJPYXAASSA-N 2 0 270.420 2.897 20 0 CFADRP CC(C)Oc1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167915726 776858408 /nfs/dbraw/zinc/85/84/08/776858408.db2.gz XHJZLSYDIRTICB-UHFFFAOYSA-N 2 0 253.371 2.512 20 0 CFADRP C[C@H](c1cccc(O[C@@H]2C[NH+]3CCC2CC3)c1)[NH+](C)C ZINC001229627410 776858789 /nfs/dbraw/zinc/85/87/89/776858789.db2.gz QEWQJTHWDONDLN-CXAGYDPISA-N 2 0 274.408 2.782 20 0 CFADRP C[NH+](C)CCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001229656904 776867050 /nfs/dbraw/zinc/86/70/50/776867050.db2.gz CAJAYLYCXNOFLI-VQFNDLOPSA-N 2 0 288.435 2.795 20 0 CFADRP C[NH+](C)Cc1ccccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001229701373 776875097 /nfs/dbraw/zinc/87/50/97/776875097.db2.gz ILTGRKMJFSXAOH-WKILWMFISA-N 2 0 276.424 3.000 20 0 CFADRP c1cncc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC001167917239 776893863 /nfs/dbraw/zinc/89/38/63/776893863.db2.gz LHYZPCKGBWWPKU-PIIMJCKOSA-N 2 0 285.435 2.682 20 0 CFADRP CC[NH+](CC)C[C@@H](C)Oc1ccc(F)cc1C[NH+](C)C ZINC001229854384 776905138 /nfs/dbraw/zinc/90/51/38/776905138.db2.gz MQSONCKGKHFDDQ-CYBMUJFWSA-N 2 0 282.403 2.996 20 0 CFADRP Cc1ccc(O)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001231672211 777305115 /nfs/dbraw/zinc/30/51/15/777305115.db2.gz FLKCWQURWCBAIP-UHFFFAOYSA-N 2 0 291.439 2.648 20 0 CFADRP C[N@@H+]1CCCC2(CC[NH+](Cc3cccc4c[nH+]cn43)CC2)C1 ZINC001277558685 777319115 /nfs/dbraw/zinc/31/91/15/777319115.db2.gz BGZIOCPJSNFGCK-UHFFFAOYSA-N 3 0 298.434 2.642 20 0 CFADRP Cn1cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167962171 777337519 /nfs/dbraw/zinc/33/75/19/777337519.db2.gz USGJQXWHQCCFIU-MQVJKMGUSA-N 2 0 273.424 2.520 20 0 CFADRP CC(C)c1nc(CC[N@H+](C)Cc2cc3c[nH+]ccc3[nH]2)no1 ZINC001232012295 777410971 /nfs/dbraw/zinc/41/09/71/777410971.db2.gz YESLMJVEOBUISJ-UHFFFAOYSA-N 2 0 299.378 2.744 20 0 CFADRP c1c(C[N@@H+]2CC[C@]3(C2)CCCCO3)[nH]c2cc[nH+]cc12 ZINC001232011379 777411209 /nfs/dbraw/zinc/41/12/09/777411209.db2.gz CRVVVUWRKFVDCX-INIZCTEOSA-N 2 0 271.364 2.708 20 0 CFADRP CSC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014348 777412931 /nfs/dbraw/zinc/41/29/31/777412931.db2.gz OETGRSRQMAQNDG-UHFFFAOYSA-N 2 0 261.394 2.890 20 0 CFADRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cncc(O)c1 ZINC001232044869 777423218 /nfs/dbraw/zinc/42/32/18/777423218.db2.gz OWTFXRBVGGMVLX-JKSUJKDBSA-N 2 0 289.423 2.626 20 0 CFADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232066643 777428272 /nfs/dbraw/zinc/42/82/72/777428272.db2.gz ZPUPXQRAUQSMPY-UHFFFAOYSA-N 2 0 298.434 2.871 20 0 CFADRP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC001232145243 777451158 /nfs/dbraw/zinc/45/11/58/777451158.db2.gz ZGUIHSKUZMOINQ-KRWDZBQOSA-N 2 0 292.398 2.642 20 0 CFADRP CCCO[C@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145763 777451390 /nfs/dbraw/zinc/45/13/90/777451390.db2.gz ADWLVUKAISWBTD-KRWDZBQOSA-N 2 0 294.414 2.888 20 0 CFADRP CC(C)O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002698 777565855 /nfs/dbraw/zinc/56/58/55/777565855.db2.gz UXOJKJDVTVRJKK-UJJTZGENSA-N 2 0 292.467 2.891 20 0 CFADRP C[N@H+]1C[C@H]2CN(Cc3ccc4ccsc4c3)C[C@H]2C1 ZINC001232615986 777618113 /nfs/dbraw/zinc/61/81/13/777618113.db2.gz LOEUVQTXKSQTSC-GASCZTMLSA-N 2 0 272.417 2.895 20 0 CFADRP CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012200 777625737 /nfs/dbraw/zinc/62/57/37/777625737.db2.gz XWIPWAXBKIYAEG-MVJTYMMSSA-N 2 0 290.451 2.789 20 0 CFADRP C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012223 777625769 /nfs/dbraw/zinc/62/57/69/777625769.db2.gz YDVXBQHAXGYBDE-XLMAVXFVSA-N 2 0 290.451 2.789 20 0 CFADRP c1cc(N2CCC3(C[NH+](C4CCCC4)C3)CC2)cc[nH+]1 ZINC001277694058 777628185 /nfs/dbraw/zinc/62/81/85/777628185.db2.gz PKMBFUUCVSOZDR-UHFFFAOYSA-N 2 0 271.408 2.926 20 0 CFADRP C[C@H](CO)C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168014574 777642762 /nfs/dbraw/zinc/64/27/62/777642762.db2.gz LYGDSTCYZBENCS-JYJNAYRXSA-N 2 0 290.451 2.646 20 0 CFADRP C[C@@H]1CC([NH2+][C@H]2C[C@@H](O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015214 777646833 /nfs/dbraw/zinc/64/68/33/777646833.db2.gz PPERTPQXSVVHDZ-DTDBQYNISA-N 2 0 288.435 2.541 20 0 CFADRP Cc1c(CN2CC3(C2)CC[NH+](C)CC3)ccnc1Cl ZINC001232757574 777659595 /nfs/dbraw/zinc/65/95/95/777659595.db2.gz PPXCSUIYNPIQBI-UHFFFAOYSA-N 2 0 279.815 2.571 20 0 CFADRP CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)C1 ZINC000328451316 777735581 /nfs/dbraw/zinc/73/55/81/777735581.db2.gz DEGFKRRUIURENR-ZWKOTPCHSA-N 2 0 287.451 2.507 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001168068397 777918800 /nfs/dbraw/zinc/91/88/00/777918800.db2.gz YHCDHAJWZYEYSP-YJBOKZPZSA-N 2 0 288.435 2.940 20 0 CFADRP CC(C)[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277796853 778020173 /nfs/dbraw/zinc/02/01/73/778020173.db2.gz KKLPQAHEXNAGSQ-UHFFFAOYSA-N 2 0 261.413 2.711 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)C)CC2)CCO1 ZINC001168093563 778027548 /nfs/dbraw/zinc/02/75/48/778027548.db2.gz NJDYPPYJXNPVGO-ZFWWWQNUSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1C[C@@H]([N@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168094980 778031767 /nfs/dbraw/zinc/03/17/67/778031767.db2.gz YMHIMIRPHABTGW-MIGQKNRLSA-N 2 0 266.429 2.536 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccccc3)CC2)CCO1 ZINC001168100994 778042461 /nfs/dbraw/zinc/04/24/61/778042461.db2.gz KJKKZTLRJGTJNV-HOCLYGCPSA-N 2 0 274.408 2.504 20 0 CFADRP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3)CC2)CCO1 ZINC001168101023 778043467 /nfs/dbraw/zinc/04/34/67/778043467.db2.gz KMIJGBFNQUHVBU-RDJZCZTQSA-N 2 0 288.435 2.590 20 0 CFADRP C[C@@H](CN1CCC([NH+]2CCCC2)CC1)C(F)(F)F ZINC000441150862 778206402 /nfs/dbraw/zinc/20/64/02/778206402.db2.gz GVNFECKSWLELAP-NSHDSACASA-N 2 0 264.335 2.745 20 0 CFADRP CC(C)[N@@H+]1CCC[C@H](Oc2cccc3c2CC[NH+](C)C3)C1 ZINC001234424457 778223046 /nfs/dbraw/zinc/22/30/46/778223046.db2.gz QFTMILXEDRXLRD-INIZCTEOSA-N 2 0 288.435 2.926 20 0 CFADRP CC1(Nc2cc[nH+]cc2-c2ccccc2)CC[NH2+]CC1 ZINC001168185925 778227660 /nfs/dbraw/zinc/22/76/60/778227660.db2.gz PHXRAWSMPWYKFA-UHFFFAOYSA-N 2 0 267.376 2.725 20 0 CFADRP CC[NH+](CC)Cc1ccccc1-n1c[nH+]c(C)c1N ZINC001211992019 778316333 /nfs/dbraw/zinc/31/63/33/778316333.db2.gz ZIWHZTWPAGNOCS-UHFFFAOYSA-N 2 0 258.369 2.605 20 0 CFADRP CCO[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000721253344 778347136 /nfs/dbraw/zinc/34/71/36/778347136.db2.gz HDZDREIRDDFVQQ-IXIBIKRGSA-N 2 0 266.429 2.549 20 0 CFADRP CCSCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277914785 778348365 /nfs/dbraw/zinc/34/83/65/778348365.db2.gz WVNTZMUXOJDAMG-UHFFFAOYSA-N 2 0 256.459 2.547 20 0 CFADRP Cc1ccc(C)c(CN2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235007341 778352144 /nfs/dbraw/zinc/35/21/44/778352144.db2.gz LXBMVEVYIWUMKY-GOSISDBHSA-N 2 0 288.435 2.505 20 0 CFADRP c1ccc2c(c1)CC(C[NH+]1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001235135204 778394716 /nfs/dbraw/zinc/39/47/16/778394716.db2.gz LXDGZVXROUHMJA-UHFFFAOYSA-N 2 0 284.447 2.867 20 0 CFADRP c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](C1CCCC1)CC2 ZINC001277928059 778400565 /nfs/dbraw/zinc/40/05/65/778400565.db2.gz BHCPDDKHNMOEAF-UHFFFAOYSA-N 2 0 288.439 2.640 20 0 CFADRP COc1ccccc1OCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168295011 778410742 /nfs/dbraw/zinc/41/07/42/778410742.db2.gz OPOWJILRFKXHKJ-UHFFFAOYSA-N 2 0 292.423 2.536 20 0 CFADRP C[NH+](C)C1CCC(n2cnc3ccc(C[NH3+])cc32)CC1 ZINC001168298444 778411710 /nfs/dbraw/zinc/41/17/10/778411710.db2.gz UORIXNWVVQRAEP-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP C[NH+](C)C1CCC(n2c3ccccc3nc2C[NH3+])CC1 ZINC001168290805 778412413 /nfs/dbraw/zinc/41/24/13/778412413.db2.gz ZLJMGMJYYCFGKN-UHFFFAOYSA-N 2 0 272.396 2.540 20 0 CFADRP Cc1cccc(C(=[NH2+])NC2CCC([NH+](C)C)CC2)c1 ZINC001168299223 778414207 /nfs/dbraw/zinc/41/42/07/778414207.db2.gz HXQXAUQSXXFCJR-UHFFFAOYSA-N 2 0 259.397 2.783 20 0 CFADRP C[NH+](C)C1CCC(N2CC[C@@H]([NH3+])c3ccccc32)CC1 ZINC001168299724 778414855 /nfs/dbraw/zinc/41/48/55/778414855.db2.gz MTIAHPVRVWZYDV-ZBCRRDGASA-N 2 0 273.424 2.769 20 0 CFADRP Cc1cccc2[nH]cc(CN3C[C@H]4CCC[NH2+][C@H]4C3)c21 ZINC001235208975 778415098 /nfs/dbraw/zinc/41/50/98/778415098.db2.gz DGBUNRLMQOLEGI-CJNGLKHVSA-N 2 0 269.392 2.660 20 0 CFADRP Cc1ccc([C@H](C)CCN2C[C@H]3CCC[NH2+][C@H]3C2)o1 ZINC001235208992 778415127 /nfs/dbraw/zinc/41/51/27/778415127.db2.gz FTASGJLIWCITGF-YUELXQCFSA-N 2 0 262.397 2.765 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](c2ccncc2)C2CC2)CC1 ZINC001168300480 778416194 /nfs/dbraw/zinc/41/61/94/778416194.db2.gz WUONZAYROWQRFQ-JCYILVPMSA-N 2 0 273.424 2.995 20 0 CFADRP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC001235211015 778417004 /nfs/dbraw/zinc/41/70/04/778417004.db2.gz SNNKXRDWPHWNFP-BWTSREIZSA-N 2 0 294.398 2.751 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC001168303971 778417626 /nfs/dbraw/zinc/41/76/26/778417626.db2.gz HYFMQYHMOHLAOH-JCYILVPMSA-N 2 0 273.424 2.995 20 0 CFADRP CCCC[NH+]1CCC(C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168304712 778418738 /nfs/dbraw/zinc/41/87/38/778418738.db2.gz BAYABORIBHELSB-UHFFFAOYSA-N 3 0 295.515 2.961 20 0 CFADRP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168304985 778418759 /nfs/dbraw/zinc/41/87/59/778418759.db2.gz FGJBOAPYCFWPJS-CIDNJEQPSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168305575 778419344 /nfs/dbraw/zinc/41/93/44/778419344.db2.gz NSSQWHRESMRDQR-JEYLPNPQSA-N 2 0 276.424 2.786 20 0 CFADRP C[NH+](C)C1CCC([NH2+]Cc2cc(F)cnc2Cl)CC1 ZINC001168305039 778419686 /nfs/dbraw/zinc/41/96/86/778419686.db2.gz GZJDAUNPWQYAGX-UHFFFAOYSA-N 2 0 285.794 2.837 20 0 CFADRP C[NH+](C)C1CCC([NH2+]C(C)(C)Cc2ccncc2)CC1 ZINC001168306158 778420030 /nfs/dbraw/zinc/42/00/30/778420030.db2.gz UEPPYFPCZCWIBH-UHFFFAOYSA-N 2 0 275.440 2.865 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H](CO)c2ccccc2Cl)CC1 ZINC001168306051 778420067 /nfs/dbraw/zinc/42/00/67/778420067.db2.gz PIMACEXDBCWJHP-SEEARECTSA-N 2 0 296.842 2.836 20 0 CFADRP c1ccc2c(c1)n[nH]c2C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235228050 778421633 /nfs/dbraw/zinc/42/16/33/778421633.db2.gz HGCDRDLYCLWRCX-MRXNPFEDSA-N 2 0 298.434 2.917 20 0 CFADRP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001235225355 778421674 /nfs/dbraw/zinc/42/16/74/778421674.db2.gz TWFZDXJBAFVONA-DLBZAZTESA-N 2 0 299.462 2.718 20 0 CFADRP C[NH+]1CCC(CC[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)CC1 ZINC001235233439 778423564 /nfs/dbraw/zinc/42/35/64/778423564.db2.gz QDAKHISMFZMRIC-GOSISDBHSA-N 3 0 293.499 2.572 20 0 CFADRP c1nc2ccccn2c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235234483 778425006 /nfs/dbraw/zinc/42/50/06/778425006.db2.gz YTTUVDCDVMROPA-QGZVFWFLSA-N 2 0 298.434 2.688 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001168314463 778425382 /nfs/dbraw/zinc/42/53/82/778425382.db2.gz LQPLWXTUESLOAC-MCIGGMRASA-N 2 0 264.335 2.538 20 0 CFADRP CCOC(=O)C[C@@H]1CCC[N@@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168313396 778425409 /nfs/dbraw/zinc/42/54/09/778425409.db2.gz BJOXWIGESTYGGO-FHERZECASA-N 2 0 296.455 2.524 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC001168314307 778425554 /nfs/dbraw/zinc/42/55/54/778425554.db2.gz CXKIHBKNRCUBDS-UHFFFAOYSA-N 2 0 258.356 2.590 20 0 CFADRP CCc1cccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)n1 ZINC001235237845 778426736 /nfs/dbraw/zinc/42/67/36/778426736.db2.gz NCIYJIXPFCNSCQ-GOSISDBHSA-N 2 0 287.451 2.998 20 0 CFADRP Cc1cnsc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237940 778427076 /nfs/dbraw/zinc/42/70/76/778427076.db2.gz FKQAOUANISYFRV-AWEZNQCLSA-N 2 0 279.453 2.806 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cnc1F ZINC001235237793 778427180 /nfs/dbraw/zinc/42/71/80/778427180.db2.gz CJYIVTRQWBICLU-MRXNPFEDSA-N 2 0 291.414 2.883 20 0 CFADRP Oc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1F ZINC001235239130 778427655 /nfs/dbraw/zinc/42/76/55/778427655.db2.gz ULJDUNWUKSYCKJ-MRXNPFEDSA-N 2 0 292.398 2.885 20 0 CFADRP CC(C)[NH+]1CC(Nc2cc[nH+]cc2-c2ccccc2)C1 ZINC001168316268 778429129 /nfs/dbraw/zinc/42/91/29/778429129.db2.gz WEILLDKENUKPFC-UHFFFAOYSA-N 2 0 267.376 2.675 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001168324749 778431864 /nfs/dbraw/zinc/43/18/64/778431864.db2.gz WBHXMUKWRBOQCU-BPCQOVAHSA-N 2 0 258.356 2.590 20 0 CFADRP C[NH+](C)C1CCC([NH+]2CC(OCc3ccccc3)C2)CC1 ZINC001168324774 778431590 /nfs/dbraw/zinc/43/15/90/778431590.db2.gz XBEVUYGKIXEJQY-UHFFFAOYSA-N 2 0 288.435 2.760 20 0 CFADRP CCOC(=O)C1(C)CC[NH+](C2CCC([NH+](C)C)CC2)CC1 ZINC001168324737 778432351 /nfs/dbraw/zinc/43/23/51/778432351.db2.gz VWBHSXDTDPOIMH-UHFFFAOYSA-N 2 0 296.455 2.524 20 0 CFADRP C[NH+](C)C1CCC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001168324480 778432378 /nfs/dbraw/zinc/43/23/78/778432378.db2.gz POMKUQDVCMGESL-FHERZECASA-N 2 0 273.424 2.744 20 0 CFADRP Cc1cc2c(cn1)C[N@@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168328154 778434621 /nfs/dbraw/zinc/43/46/21/778434621.db2.gz XNKJVCXWNWPCAP-UHFFFAOYSA-N 2 0 259.397 2.578 20 0 CFADRP C[NH+](C)C1CCC([N@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC001168334818 778438329 /nfs/dbraw/zinc/43/83/29/778438329.db2.gz XJIZSLVVWXJFCJ-OFLPRAFFSA-N 2 0 288.435 2.795 20 0 CFADRP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@@H]12 ZINC001235283661 778442998 /nfs/dbraw/zinc/44/29/98/778442998.db2.gz GCONQZVZEHYXLZ-BCDXTJNWSA-N 2 0 264.372 2.743 20 0 CFADRP CCC(C)(C)c1ccc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235285540 778443432 /nfs/dbraw/zinc/44/34/32/778443432.db2.gz TWVCMPLRPKTZPL-MUJYYYPQSA-N 2 0 258.409 2.763 20 0 CFADRP OC1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001168353395 778447058 /nfs/dbraw/zinc/44/70/58/778447058.db2.gz NQEMERUKCLVSIW-UHFFFAOYSA-N 2 0 280.456 2.536 20 0 CFADRP CC1(C)CC([NH3+])CC(C)(C)N1C1CC[NH+](CC2CC2)CC1 ZINC001168357060 778459115 /nfs/dbraw/zinc/45/91/15/778459115.db2.gz ZTGVNICSFFLBLT-UHFFFAOYSA-N 2 0 293.499 2.841 20 0 CFADRP c1cc(C2CCC2)ccc1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341567 778460319 /nfs/dbraw/zinc/46/03/19/778460319.db2.gz QNUCIHWZVSWWRR-QGZVFWFLSA-N 2 0 270.420 2.995 20 0 CFADRP Cn1cc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2n1 ZINC001168357539 778460471 /nfs/dbraw/zinc/46/04/71/778460471.db2.gz GFUAPBJSXAMZQU-UHFFFAOYSA-N 2 0 298.434 2.537 20 0 CFADRP c1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c2c(c1)CCCC2 ZINC001235340558 778460722 /nfs/dbraw/zinc/46/07/22/778460722.db2.gz QTSBKQMHGIIGRG-UHFFFAOYSA-N 2 0 284.447 2.997 20 0 CFADRP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@@H+](CC2CCC2)C3)cc1 ZINC001235377187 778470834 /nfs/dbraw/zinc/47/08/34/778470834.db2.gz CABPTQPGRKGWPS-MSOLQXFVSA-N 2 0 270.420 2.866 20 0 CFADRP CCO[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC000721254856 778475341 /nfs/dbraw/zinc/47/53/41/778475341.db2.gz OBLLOFKFNLTJSQ-HZPDHXFCSA-N 2 0 268.445 2.797 20 0 CFADRP CCc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235399782 778476118 /nfs/dbraw/zinc/47/61/18/778476118.db2.gz BJIVYFBMCRIIIS-SJORKVTESA-N 2 0 276.399 2.773 20 0 CFADRP Cc1cccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1C ZINC001235406105 778478716 /nfs/dbraw/zinc/47/87/16/778478716.db2.gz PVBQYEUKIGEDIV-DLBZAZTESA-N 2 0 276.399 2.827 20 0 CFADRP Oc1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235428073 778487353 /nfs/dbraw/zinc/48/73/53/778487353.db2.gz OLJNMVUZXDTRLK-GJZGRUSLSA-N 2 0 292.398 2.743 20 0 CFADRP CCOc1ccc(C)c(C[N@H+](C)CC2CC[NH2+]CC2)c1 ZINC001235431692 778488662 /nfs/dbraw/zinc/48/86/62/778488662.db2.gz ALSPUQVGSKXPOV-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP c1cc2n(c1C[NH+]1CCC(c3ccccc3)CC1)CC[NH2+]C2 ZINC001235440259 778490838 /nfs/dbraw/zinc/49/08/38/778490838.db2.gz DESYWLZTFMKGFU-UHFFFAOYSA-N 2 0 295.430 2.971 20 0 CFADRP C[N@H+](Cc1cccc2c1CCCC2)C1CC[NH2+]CC1 ZINC001235465996 778500148 /nfs/dbraw/zinc/50/01/48/778500148.db2.gz NFQGGGGYRGHUFC-UHFFFAOYSA-N 2 0 258.409 2.749 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001235677414 778533831 /nfs/dbraw/zinc/53/38/31/778533831.db2.gz CRZSGMZWJIBVEI-UHFFFAOYSA-N 2 0 276.424 2.743 20 0 CFADRP C[NH2+]CC1CC[NH+](C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001235677274 778534109 /nfs/dbraw/zinc/53/41/09/778534109.db2.gz APIUHFPANXVNOW-ZBFHGGJFSA-N 2 0 250.430 2.910 20 0 CFADRP CC1(C)CC[NH+](Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235691413 778538587 /nfs/dbraw/zinc/53/85/87/778538587.db2.gz QQWRAOSINVNNHE-UHFFFAOYSA-N 2 0 287.451 2.718 20 0 CFADRP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001235695095 778541247 /nfs/dbraw/zinc/54/12/47/778541247.db2.gz OPEHTVGZGGYBIE-JKSUJKDBSA-N 2 0 287.451 2.717 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001235715184 778545597 /nfs/dbraw/zinc/54/55/97/778545597.db2.gz REPZGPBFJFUNDQ-AWEZNQCLSA-N 2 0 254.324 2.841 20 0 CFADRP CC1(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235715860 778545761 /nfs/dbraw/zinc/54/57/61/778545761.db2.gz VNQGSAWMVBTDKE-KRWDZBQOSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cccc(F)c1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235716903 778546047 /nfs/dbraw/zinc/54/60/47/778546047.db2.gz LZSQSIGLVBPYDG-UHFFFAOYSA-N 2 0 264.388 2.956 20 0 CFADRP COc1ccc(C)cc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC001235717329 778546731 /nfs/dbraw/zinc/54/67/31/778546731.db2.gz RBZCCLWUIOIRFI-UHFFFAOYSA-N 2 0 276.424 2.825 20 0 CFADRP C[Si](C)(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1 ZINC001235808802 778564604 /nfs/dbraw/zinc/56/46/04/778564604.db2.gz HBWUTMKQRCSNCQ-MUJYYYPQSA-N 2 0 288.511 2.686 20 0 CFADRP Cc1cccc(CC[N@@H+](C)CC2(C)CC[NH2+]CC2)c1 ZINC001235839704 778575212 /nfs/dbraw/zinc/57/52/12/778575212.db2.gz VGMXMNPHOWNETD-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP Cc1ccc(CC[N@@H+](C)CC2(C)CC[NH2+]CC2)cc1 ZINC001235841046 778575741 /nfs/dbraw/zinc/57/57/41/778575741.db2.gz UWQPCDKLLHOIME-UHFFFAOYSA-N 2 0 260.425 2.859 20 0 CFADRP CC[NH2+]CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC001235863714 778584892 /nfs/dbraw/zinc/58/48/92/778584892.db2.gz IBGBWSGWVZHFID-UHFFFAOYSA-N 2 0 264.388 2.690 20 0 CFADRP CCCCCCc1csc(CN(CC[NH3+])CC[NH3+])c1 ZINC001235879235 778588668 /nfs/dbraw/zinc/58/86/68/778588668.db2.gz AQNPOVODVQZDEX-UHFFFAOYSA-N 2 0 283.485 2.590 20 0 CFADRP CCCCCCc1ccc(CN(CC[NH3+])CC[NH3+])s1 ZINC001235880472 778588693 /nfs/dbraw/zinc/58/86/93/778588693.db2.gz NEADRYYFHMAMEE-UHFFFAOYSA-N 2 0 283.485 2.590 20 0 CFADRP Fc1cc(F)cc(CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001235883502 778589871 /nfs/dbraw/zinc/58/98/71/778589871.db2.gz HAESOHPSEPPHAD-QGZVFWFLSA-N 2 0 294.389 2.971 20 0 CFADRP Fc1cccc(Cl)c1CC1CC[NH+](CC2C[NH2+]C2)CC1 ZINC001235897069 778596869 /nfs/dbraw/zinc/59/68/69/778596869.db2.gz OHENCIFJTWUHHO-UHFFFAOYSA-N 2 0 296.817 2.953 20 0 CFADRP COc1ccccc1C1CC[NH+](CCCC[NH3+])CC1 ZINC001235907321 778604723 /nfs/dbraw/zinc/60/47/23/778604723.db2.gz XDBIDHUQHWOSAC-UHFFFAOYSA-N 2 0 262.397 2.614 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCCC2 ZINC001235926323 778612495 /nfs/dbraw/zinc/61/24/95/778612495.db2.gz YFCYNBIBILPIHI-INIZCTEOSA-N 2 0 258.409 2.879 20 0 CFADRP Clc1ccccc1CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235931012 778613810 /nfs/dbraw/zinc/61/38/10/778613810.db2.gz ZXJZLLUSORDQKY-GJZGRUSLSA-N 2 0 278.827 2.814 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1OC(C)C ZINC001235935879 778616779 /nfs/dbraw/zinc/61/67/79/778616779.db2.gz FLEWLSILDDYUTM-DLBZAZTESA-N 2 0 288.435 2.824 20 0 CFADRP CCc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(CC)c1O ZINC001235937899 778618061 /nfs/dbraw/zinc/61/80/61/778618061.db2.gz JOIURFNGSNBLKT-DLBZAZTESA-N 2 0 288.435 2.558 20 0 CFADRP c1cc(-c2ccccc2)oc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939866 778619057 /nfs/dbraw/zinc/61/90/57/778619057.db2.gz QSIZXQQPXXALPK-HZPDHXFCSA-N 2 0 282.387 2.988 20 0 CFADRP CC(C)COc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235940248 778619556 /nfs/dbraw/zinc/61/95/56/778619556.db2.gz RSAARBYDFZCUPZ-IAGOWNOFSA-N 2 0 288.435 2.763 20 0 CFADRP CCCOc1ccccc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC001235950893 778623710 /nfs/dbraw/zinc/62/37/10/778623710.db2.gz OZVVNCAPWVQKSF-HNNXBMFYSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1cc(F)cc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960278 778629210 /nfs/dbraw/zinc/62/92/10/778629210.db2.gz SINARIOZSLYEGJ-YWVIFJGQSA-N 2 0 262.372 2.612 20 0 CFADRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001235960517 778630082 /nfs/dbraw/zinc/63/00/82/778630082.db2.gz YNJZSPITRWDDMP-MIFYACCESA-N 2 0 278.827 2.942 20 0 CFADRP [NH3+]CCCC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001235973050 778634488 /nfs/dbraw/zinc/63/44/88/778634488.db2.gz KJPCDZJJPURESY-OAHLLOKOSA-N 2 0 282.815 2.922 20 0 CFADRP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235991038 778644093 /nfs/dbraw/zinc/64/40/93/778644093.db2.gz FRFPIMHGDXKAFH-VPSFDDGASA-N 2 0 280.456 2.665 20 0 CFADRP Cc1ccc2ccccc2c1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235997977 778648785 /nfs/dbraw/zinc/64/87/85/778648785.db2.gz ILFJLYQRJYBUSJ-MCPYQZEQSA-N 2 0 296.414 2.554 20 0 CFADRP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@@H+](C[C@@H]2CC=CCC2)C3)cc1 ZINC001236006803 778651894 /nfs/dbraw/zinc/65/18/94/778651894.db2.gz RWFWRANEOIWIOU-QRQLOZEOSA-N 2 0 282.431 2.816 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3cc(N(C)C)ccc3c2)C1 ZINC001236067282 778679712 /nfs/dbraw/zinc/67/97/12/778679712.db2.gz PCOWDOPZELTXLZ-MRXNPFEDSA-N 2 0 297.446 2.947 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)c(C)c2)C1 ZINC001236066878 778679809 /nfs/dbraw/zinc/67/98/09/778679809.db2.gz KGAFSLJJXKBINK-INIZCTEOSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC001236072183 778681571 /nfs/dbraw/zinc/68/15/71/778681571.db2.gz PHLRFWXSXLKOQI-PBHICJAKSA-N 2 0 258.409 2.965 20 0 CFADRP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC001236093867 778689135 /nfs/dbraw/zinc/68/91/35/778689135.db2.gz LPRAFGZWRUEYEB-HUUCEWRRSA-N 2 0 296.455 2.715 20 0 CFADRP CC(C)C1=[NH+]CCc2ccc(CN3CCC[NH2+][C@@H](C)C3)cc21 ZINC001236101653 778694055 /nfs/dbraw/zinc/69/40/55/778694055.db2.gz YLPKGNJRCPTCRL-HNNXBMFYSA-N 2 0 299.462 2.872 20 0 CFADRP Nc1ccc2c(c1)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001236232682 778745795 /nfs/dbraw/zinc/74/57/95/778745795.db2.gz PMHZCAVKPCQHSS-UHFFFAOYSA-N 2 0 299.443 2.534 20 0 CFADRP C[N@H+](Cc1cccc2c1CCC2)C1(C)CC[NH2+]CC1 ZINC001236227278 778746172 /nfs/dbraw/zinc/74/61/72/778746172.db2.gz BFRMYXKJMKTCJW-UHFFFAOYSA-N 2 0 258.409 2.749 20 0 CFADRP C(OC[C@@H]1CC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001168387635 778767572 /nfs/dbraw/zinc/76/75/72/778767572.db2.gz MWJJXDDFQLKYCE-QGZVFWFLSA-N 2 0 292.467 2.609 20 0 CFADRP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001236314466 778774357 /nfs/dbraw/zinc/77/43/57/778774357.db2.gz NMYOSWCTIVZTMO-LUKYLMHMSA-N 2 0 262.441 2.910 20 0 CFADRP c1[nH]nc(-c2ccccc2)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316401 778775470 /nfs/dbraw/zinc/77/54/70/778775470.db2.gz RXTQWSKZCXBJGD-IYBDPMFKSA-N 2 0 296.418 2.508 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(C)c1F ZINC001236320730 778777688 /nfs/dbraw/zinc/77/76/88/778777688.db2.gz COUZAGSVMIBLTG-IYBDPMFKSA-N 2 0 276.399 2.874 20 0 CFADRP COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001236320638 778778246 /nfs/dbraw/zinc/77/82/46/778778246.db2.gz SHBYCBIVNDZYEW-BETUJISGSA-N 2 0 294.826 2.780 20 0 CFADRP FC(F)(F)c1ccnc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321307 778779083 /nfs/dbraw/zinc/77/90/83/778779083.db2.gz ZYCNOMAPNVJLSV-TXEJJXNPSA-N 2 0 299.340 2.532 20 0 CFADRP c1oc(-c2ccccc2)nc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322400 778779403 /nfs/dbraw/zinc/77/94/03/778779403.db2.gz VNTUMSDJYOMWKB-IYBDPMFKSA-N 2 0 297.402 2.773 20 0 CFADRP Nc1ccc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001236334632 778785056 /nfs/dbraw/zinc/78/50/56/778785056.db2.gz BYOUVEOGUDIVOI-HNNXBMFYSA-N 2 0 287.451 2.838 20 0 CFADRP c1cc2c(c(-c3ccc(C[NH+]4CCCC4)cn3)c1)CC[NH2+]C2 ZINC001236341570 778785681 /nfs/dbraw/zinc/78/56/81/778785681.db2.gz QMYHGOWRJUQQIG-UHFFFAOYSA-N 2 0 293.414 2.990 20 0 CFADRP [NH3+]C1(c2cccc(-c3cccc4c3CC[NH2+]C4)c2)CC1 ZINC001236357174 778790469 /nfs/dbraw/zinc/79/04/69/778790469.db2.gz AFXIJOIVDIBSEU-UHFFFAOYSA-N 2 0 264.372 2.947 20 0 CFADRP [NH3+][C@@H]1CCc2ccc(-c3cccc4c3CC[NH2+]C4)cc21 ZINC001236356887 778791000 /nfs/dbraw/zinc/79/10/00/778791000.db2.gz DCZPEUDOEUDKMT-GOSISDBHSA-N 2 0 264.372 2.945 20 0 CFADRP CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407756 778805424 /nfs/dbraw/zinc/80/54/24/778805424.db2.gz GYYIOMIBPYGUIC-CQSZACIVSA-N 2 0 264.388 2.874 20 0 CFADRP CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236407754 778805556 /nfs/dbraw/zinc/80/55/56/778805556.db2.gz GYYIOMIBPYGUIC-AWEZNQCLSA-N 2 0 264.388 2.874 20 0 CFADRP C(C[N@@H+]1CCOC[C@@H]1C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236434752 778827864 /nfs/dbraw/zinc/82/78/64/778827864.db2.gz VQJDPGNMRIAVFY-DOTOQJQBSA-N 2 0 280.456 2.657 20 0 CFADRP CC1=CC[C@@H](CC[N@@H+]2CC[C@@](F)(C[NH3+])C2)C1(C)C ZINC001236436581 778828398 /nfs/dbraw/zinc/82/83/98/778828398.db2.gz YTASKONSKNWHBI-DZGCQCFKSA-N 2 0 254.393 2.742 20 0 CFADRP C(C[N@@H+]1CCOC[C@@H]1C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC001236434754 778828989 /nfs/dbraw/zinc/82/89/89/778828989.db2.gz VQJDPGNMRIAVFY-NVXWUHKLSA-N 2 0 280.456 2.657 20 0 CFADRP COc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH2+]C1)CCC2 ZINC001236434335 778829021 /nfs/dbraw/zinc/82/90/21/778829021.db2.gz OUDZAHDWFKSQRB-OAHLLOKOSA-N 2 0 288.435 2.833 20 0 CFADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168405032 778848270 /nfs/dbraw/zinc/84/82/70/778848270.db2.gz PAGIHSDSMISLNA-FJIDUMEYSA-N 2 0 288.410 2.898 20 0 CFADRP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCC[NH2+]2)CC2CCC2)CC1 ZINC001236539817 778870871 /nfs/dbraw/zinc/87/08/71/778870871.db2.gz BGWHUTZCJDPFSJ-KZNAEPCWSA-N 3 0 293.499 2.891 20 0 CFADRP Nc1cccc(C[N@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236540990 778871686 /nfs/dbraw/zinc/87/16/86/778871686.db2.gz PQPHUDVBRSWNTK-KOMQPUFPSA-N 2 0 288.439 2.536 20 0 CFADRP [NH3+]CCCCC[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236566556 778878180 /nfs/dbraw/zinc/87/81/80/778878180.db2.gz KRFZVHORYOYGNW-KOMQPUFPSA-N 3 0 267.461 2.630 20 0 CFADRP [NH3+]Cc1cccc(C[N@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236573004 778880206 /nfs/dbraw/zinc/88/02/06/778880206.db2.gz SMNKCALGQXBWJY-SAABIXHNSA-N 3 0 287.451 2.770 20 0 CFADRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584743 778886430 /nfs/dbraw/zinc/88/64/30/778886430.db2.gz RQHSOORNPHHGJT-ZJIFWQFVSA-N 2 0 260.425 2.663 20 0 CFADRP c1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc2c1NCC2 ZINC001236601891 778891058 /nfs/dbraw/zinc/89/10/58/778891058.db2.gz PQZYUZUOPXUORO-HNNXBMFYSA-N 2 0 285.435 2.619 20 0 CFADRP C[C@@H](CC[NH+]1CCC(N2CC[C@H]([NH3+])C2)CC1)CC(C)(C)C ZINC001236614820 778894667 /nfs/dbraw/zinc/89/46/67/778894667.db2.gz BZBIXHKMSDMHCY-HOTGVXAUSA-N 2 0 295.515 2.946 20 0 CFADRP C[NH+]1CCC(C)(CN([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001236648355 778903434 /nfs/dbraw/zinc/90/34/34/778903434.db2.gz QIYSHOKIXKSSFE-KRWDZBQOSA-N 2 0 293.499 2.715 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000300147047 778904462 /nfs/dbraw/zinc/90/44/62/778904462.db2.gz ZTNWYMNAAIFODD-WCVJEAGWSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)(C)C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769645 778930032 /nfs/dbraw/zinc/93/00/32/778930032.db2.gz YIYROTDKQYSYEA-BZUAXINKSA-N 3 0 281.488 2.604 20 0 CFADRP CCC(CC)[N@H+](CCCCCO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783170 778934198 /nfs/dbraw/zinc/93/41/98/778934198.db2.gz PXTFKIHYLAAZIW-KOMQPUFPSA-N 2 0 270.461 2.910 20 0 CFADRP CCCCCC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001120595420 778934288 /nfs/dbraw/zinc/93/42/88/778934288.db2.gz DPGWPLXNVYIJNQ-HOTGVXAUSA-N 2 0 270.461 2.639 20 0 CFADRP CCC[N@H+](C[C@H](C)OCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236830330 778957738 /nfs/dbraw/zinc/95/77/38/778957738.db2.gz NDHJJDQSXIVVLE-FUHWJXTLSA-N 2 0 290.451 2.913 20 0 CFADRP Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC001236831365 778957880 /nfs/dbraw/zinc/95/78/80/778957880.db2.gz QPOMWUJKIIORRJ-UAGQMJEPSA-N 2 0 288.435 2.951 20 0 CFADRP CCC[N@H+](CCCc1cccc(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236830840 778958457 /nfs/dbraw/zinc/95/84/57/778958457.db2.gz OXUHZMWGOGWFII-QGZVFWFLSA-N 2 0 290.451 2.949 20 0 CFADRP CCC[N@@H+](Cc1cc(F)cc(N(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236844270 778963401 /nfs/dbraw/zinc/96/34/01/778963401.db2.gz RKENITWGSISAAJ-CQSZACIVSA-N 2 0 293.430 2.713 20 0 CFADRP CC[C@H]([NH3+])CN(C)Cc1coc2ccc(F)cc12 ZINC001236868733 778969324 /nfs/dbraw/zinc/96/93/24/778969324.db2.gz HJCOKPDCOWCQJL-LBPRGKRZSA-N 2 0 250.317 2.741 20 0 CFADRP C[NH+]1CCN(c2cccc(C[NH+]3C[C@H]4CCC[C@@H]4C3)c2)CC1 ZINC001236888887 778974245 /nfs/dbraw/zinc/97/42/45/778974245.db2.gz SVRAGEMEDNMTRB-QZTJIDSGSA-N 2 0 299.462 2.670 20 0 CFADRP CC[C@@H](C)[N@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236891338 778974982 /nfs/dbraw/zinc/97/49/82/778974982.db2.gz JHMZCCSMKDQECQ-OAHLLOKOSA-N 2 0 275.440 2.669 20 0 CFADRP CCCC[C@H](CC)CN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236923975 778981813 /nfs/dbraw/zinc/98/18/13/778981813.db2.gz NKJGLBVAQCZRSA-DLBZAZTESA-N 2 0 283.504 2.818 20 0 CFADRP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc3c(c2)CCCN3)C1 ZINC001237083852 779008349 /nfs/dbraw/zinc/00/83/49/779008349.db2.gz YUBVLXAEOMSPHY-KRWDZBQOSA-N 2 0 273.424 2.606 20 0 CFADRP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237144036 779025031 /nfs/dbraw/zinc/02/50/31/779025031.db2.gz UECGXRCKPGQPEM-IBGZPJMESA-N 2 0 296.414 2.713 20 0 CFADRP Clc1ccc2c(c1)[C@H]1C[N@@H+](CCC3C[NH2+]C3)CC[C@H]1N2 ZINC001237232140 779056526 /nfs/dbraw/zinc/05/65/26/779056526.db2.gz IHKWUJZJYMZGAE-GDBMZVCRSA-N 2 0 291.826 2.533 20 0 CFADRP Clc1ccc2c(c1)[C@@H]1C[N@@H+](CCC3C[NH2+]C3)CC[C@H]1N2 ZINC001237232141 779057487 /nfs/dbraw/zinc/05/74/87/779057487.db2.gz IHKWUJZJYMZGAE-GOEBONIOSA-N 2 0 291.826 2.533 20 0 CFADRP c1ccc2c(c1)NCCC21CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC001237318703 779074546 /nfs/dbraw/zinc/07/45/46/779074546.db2.gz HRNVUDMYCQYXQC-INIZCTEOSA-N 2 0 299.462 2.835 20 0 CFADRP Cc1cc(F)cc(C)c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001237326709 779078300 /nfs/dbraw/zinc/07/83/00/779078300.db2.gz UZHBZIQVECASJN-UHFFFAOYSA-N 2 0 276.399 2.970 20 0 CFADRP Cn1ccc2c1cccc2C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237388380 779090775 /nfs/dbraw/zinc/09/07/75/779090775.db2.gz DARFJTRYTVBLIJ-DOTOQJQBSA-N 2 0 283.419 2.752 20 0 CFADRP c1cc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c2[nH]1 ZINC001237403531 779097649 /nfs/dbraw/zinc/09/76/49/779097649.db2.gz LAGWXLOHPLZDGV-ZBFHGGJFSA-N 2 0 269.392 2.742 20 0 CFADRP Fc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ncccc12 ZINC001237414405 779102580 /nfs/dbraw/zinc/10/25/80/779102580.db2.gz LWGUAMBLIYPFQC-CXAGYDPISA-N 2 0 299.393 2.948 20 0 CFADRP C[NH+]1CCC2(C[NH+](Cc3ccc(F)c4cccnc34)C2)CC1 ZINC001237435273 779106532 /nfs/dbraw/zinc/10/65/32/779106532.db2.gz WXYHPGUEKLRLOT-UHFFFAOYSA-N 2 0 299.393 2.902 20 0 CFADRP Cc1ccnc2cccc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)c12 ZINC001237626224 779148807 /nfs/dbraw/zinc/14/88/07/779148807.db2.gz ZXTOVVMXYYBTOK-WBVHZDCISA-N 2 0 295.430 2.927 20 0 CFADRP CC[NH+](CC)CCCCNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001121991185 779150570 /nfs/dbraw/zinc/15/05/70/779150570.db2.gz MXLYJSGWQUYYBH-INIZCTEOSA-N 2 0 297.487 2.522 20 0 CFADRP COc1ccc2oc(C[N@@H+]3CCC[C@H]([NH3+])CC3)cc2c1 ZINC001205095569 779181854 /nfs/dbraw/zinc/18/18/54/779181854.db2.gz ZBKIMMOLPLHNQS-ZDUSSCGKSA-N 2 0 274.364 2.755 20 0 CFADRP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1F ZINC001237955001 779216204 /nfs/dbraw/zinc/21/62/04/779216204.db2.gz QWTNQISVJQHGSN-CABCVRRESA-N 2 0 292.398 2.608 20 0 CFADRP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000699264505 779229690 /nfs/dbraw/zinc/22/96/90/779229690.db2.gz SBVHXBSLVBRETK-DDQUQZBUSA-N 2 0 250.430 2.883 20 0 CFADRP C[C@H](C[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1)CC(F)(F)F ZINC001278183993 779245293 /nfs/dbraw/zinc/24/52/93/779245293.db2.gz KGDDREGUXHFRFQ-RWMBFGLXSA-N 2 0 278.362 2.849 20 0 CFADRP CCOc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1C ZINC001238077462 779248043 /nfs/dbraw/zinc/24/80/43/779248043.db2.gz QNLLGIHYQLCWTJ-GOSISDBHSA-N 2 0 288.435 2.921 20 0 CFADRP C[C@H](C[NH+]1CCC2(C[NH+](C)C2)CC1)CC(F)(F)F ZINC001278185596 779249536 /nfs/dbraw/zinc/24/95/36/779249536.db2.gz WQPWEDVZAFEMAI-NSHDSACASA-N 2 0 264.335 2.603 20 0 CFADRP CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000699504362 779282808 /nfs/dbraw/zinc/28/28/08/779282808.db2.gz QUOLIMGHXJRALV-RCCFBDPRSA-N 2 0 288.435 2.523 20 0 CFADRP Cc1cccc(OCC[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000715234748 779304451 /nfs/dbraw/zinc/30/44/51/779304451.db2.gz MQWVYDDBEKUHOO-UHFFFAOYSA-N 2 0 276.424 2.836 20 0 CFADRP CSc1cc(C)cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC001235265480 779335781 /nfs/dbraw/zinc/33/57/81/779335781.db2.gz VIUBDNVIMUXSJA-ZBFHGGJFSA-N 2 0 276.449 2.901 20 0 CFADRP Cc1ccc(C)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235336519 779344067 /nfs/dbraw/zinc/34/40/67/779344067.db2.gz YXBAMSQENJLKGF-UHFFFAOYSA-N 2 0 258.409 2.735 20 0 CFADRP CCC(F)(F)C(C)(C)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000699721835 779346571 /nfs/dbraw/zinc/34/65/71/779346571.db2.gz WQXSDNJXSCGUDE-OBPIAQAESA-N 2 0 272.383 2.644 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715268752 779378030 /nfs/dbraw/zinc/37/80/30/779378030.db2.gz GPWLKGPMXHEKNB-BBWFWOEESA-N 3 0 283.504 2.959 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)cc(OC)c(C)c2C)C1 ZINC001236065619 779457191 /nfs/dbraw/zinc/45/71/91/779457191.db2.gz BYSWHWNQNMKMRF-OAHLLOKOSA-N 2 0 276.424 2.662 20 0 CFADRP CC[NH+](CC)CCn1cc(-c2ccccc2C[NH2+]C)cn1 ZINC001239215687 779477485 /nfs/dbraw/zinc/47/74/85/779477485.db2.gz GNLUVGUGSUYGTH-UHFFFAOYSA-N 2 0 286.423 2.611 20 0 CFADRP [NH3+]CC1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001239323201 779514824 /nfs/dbraw/zinc/51/48/24/779514824.db2.gz CIBAIDHLVNENCP-UHFFFAOYSA-N 2 0 272.314 2.576 20 0 CFADRP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000721274861 779528038 /nfs/dbraw/zinc/52/80/38/779528038.db2.gz QYFXEFIWJMQJCO-FXUDXRNXSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccccc2Cl)no1 ZINC001212335593 779616999 /nfs/dbraw/zinc/61/69/99/779616999.db2.gz FJBLHTQGTOOSHI-AWEZNQCLSA-N 2 0 294.786 2.693 20 0 CFADRP CCc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001239587660 779645312 /nfs/dbraw/zinc/64/53/12/779645312.db2.gz DCHICGWVPIBVCM-UHFFFAOYSA-N 2 0 267.376 2.721 20 0 CFADRP C(=C/c1cc(N2CC[NH2+]CC2)cc[nH+]1)\c1ccccc1 ZINC001239594476 779648631 /nfs/dbraw/zinc/64/86/31/779648631.db2.gz QVNRHGBHRHDIDA-VOTSOKGWSA-N 2 0 265.360 2.662 20 0 CFADRP CCOC(=O)CCCCCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237379865 779682188 /nfs/dbraw/zinc/68/21/88/779682188.db2.gz DLIVKESPVQWJCJ-JKSUJKDBSA-N 2 0 296.455 2.574 20 0 CFADRP Cc1ccsc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237381914 779682545 /nfs/dbraw/zinc/68/25/45/779682545.db2.gz KMPBZIAEGZXPRA-STQMWFEESA-N 2 0 250.411 2.630 20 0 CFADRP C[NH+](C)Cc1cncc(-c2ccccc2C[NH+](C)C)c1 ZINC001239684551 779709895 /nfs/dbraw/zinc/70/98/95/779709895.db2.gz TZKYDTBQSPXXQU-UHFFFAOYSA-N 2 0 269.392 2.872 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc3c(c2)C2(CC3)CC[NH2+]CC2)c1 ZINC001239796671 779778797 /nfs/dbraw/zinc/77/87/97/779778797.db2.gz CZBKAUVTDLZCKF-UHFFFAOYSA-N 2 0 293.414 2.775 20 0 CFADRP [NH3+]Cc1cncc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001239798686 779780793 /nfs/dbraw/zinc/78/07/93/779780793.db2.gz HKKDVMOCRTTZRX-MRXNPFEDSA-N 2 0 253.349 2.632 20 0 CFADRP [NH3+]CC[C@@H]1CN(c2cccc(C[NH3+])c2)c2ccccc21 ZINC001168542250 779914208 /nfs/dbraw/zinc/91/42/08/779914208.db2.gz BLXRASCVDPFPJG-CQSZACIVSA-N 2 0 267.376 2.729 20 0 CFADRP [NH3+]CC[C@H]1CN(c2ccc3c(c2)C[NH2+]C3)c2ccccc21 ZINC001168548579 779933887 /nfs/dbraw/zinc/93/38/87/779933887.db2.gz ICDVOBXUJKDTEI-AWEZNQCLSA-N 2 0 279.387 2.874 20 0 CFADRP C[C@H]([NH3+])c1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)cn1 ZINC001168555433 779962786 /nfs/dbraw/zinc/96/27/86/779962786.db2.gz MHHHYOCRSKXKEZ-QWHCGFSZSA-N 2 0 282.391 2.685 20 0 CFADRP CCC1(Nc2ccc(F)c(C[NH+]3CCCC3)c2)C[NH2+]C1 ZINC001168586860 780010958 /nfs/dbraw/zinc/01/09/58/780010958.db2.gz MEORXVVPLHXKNL-UHFFFAOYSA-N 2 0 277.387 2.585 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC2(CC)C[NH2+]C2)c1F ZINC001168587267 780011053 /nfs/dbraw/zinc/01/10/53/780011053.db2.gz PWGBOSAVWCSGBK-UHFFFAOYSA-N 2 0 279.403 2.831 20 0 CFADRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc2c1C[NH2+]CC2 ZINC001168600814 780029548 /nfs/dbraw/zinc/02/95/48/780029548.db2.gz FBUFPHZAYHTZGF-IRXDYDNUSA-N 2 0 273.424 2.617 20 0 CFADRP CC(C)(C)[NH2+]Cc1ccc(-c2ncnc3c2CC[NH2+]C3)cc1 ZINC001240360165 780113846 /nfs/dbraw/zinc/11/38/46/780113846.db2.gz JPXRWAHAMLQCRJ-UHFFFAOYSA-N 2 0 296.418 2.677 20 0 CFADRP [NH3+]Cc1ccnc(C2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001240385531 780129381 /nfs/dbraw/zinc/12/93/81/780129381.db2.gz XNUVZWVQBMYZEO-UHFFFAOYSA-N 2 0 279.387 2.830 20 0 CFADRP Cc1nccn1CC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001116428848 780150962 /nfs/dbraw/zinc/15/09/62/780150962.db2.gz YYJWNXPKSNTPGT-UHFFFAOYSA-N 2 0 268.364 2.805 20 0 CFADRP c1cc2c(cc1-c1ccc([C@H]3CCC[NH2+]3)cn1)CC[NH2+]C2 ZINC001240454378 780174551 /nfs/dbraw/zinc/17/45/51/780174551.db2.gz NJJWUNOFBKZOMP-QGZVFWFLSA-N 2 0 279.387 2.819 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000715581343 780175852 /nfs/dbraw/zinc/17/58/52/780175852.db2.gz RJFZBWNDAKEPEP-DQPZFDDXSA-N 2 0 274.408 2.720 20 0 CFADRP C[NH+](C)/C=C/c1ccncc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240459348 780180738 /nfs/dbraw/zinc/18/07/38/780180738.db2.gz WAQMWLBLSDHMOM-JXMROGBWSA-N 2 0 279.387 2.927 20 0 CFADRP c1[nH]c([C@@H]2CCC[NH2+]2)nc1-c1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240468279 780185969 /nfs/dbraw/zinc/18/59/69/780185969.db2.gz DLYGAYMTBUIAFE-INIZCTEOSA-N 2 0 294.402 2.878 20 0 CFADRP Fc1cc(C2=CC[NH2+]CC2)ccc1C[NH+]1CCCC1 ZINC001240471150 780188363 /nfs/dbraw/zinc/18/83/63/780188363.db2.gz WXEHPJYTWUBMAD-UHFFFAOYSA-N 2 0 260.356 2.798 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168680569 780312753 /nfs/dbraw/zinc/31/27/53/780312753.db2.gz VGYPRZLRQLUWAT-ZDUSSCGKSA-N 2 0 266.816 2.739 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168684583 780322630 /nfs/dbraw/zinc/32/26/30/780322630.db2.gz KMDHZRQJTCFFHC-OCCSQVGLSA-N 2 0 278.827 2.739 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)C12CCC2 ZINC000453193278 780421079 /nfs/dbraw/zinc/42/10/79/780421079.db2.gz LBOXKVICXWWDBW-HRCADAONSA-N 2 0 280.456 2.798 20 0 CFADRP CO[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000453228668 780424753 /nfs/dbraw/zinc/42/47/53/780424753.db2.gz UTBBCEDBBDRHOU-CKUJCDMFSA-N 2 0 278.440 2.551 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000422757879 780433666 /nfs/dbraw/zinc/43/36/66/780433666.db2.gz NGANLSJJGPVXTE-ROFOYJHJSA-N 2 0 292.467 2.545 20 0 CFADRP C[NH+]1CCN(c2ccc(-c3cccc4c[nH+]cn43)cc2)CC1 ZINC001240856101 780479790 /nfs/dbraw/zinc/47/97/90/780479790.db2.gz XDZCENXUJKKVTC-UHFFFAOYSA-N 2 0 292.386 2.753 20 0 CFADRP C(c1ccccc1C1CC[NH2+]CC1)=C1CC[NH2+]CC1 ZINC001240877172 780494746 /nfs/dbraw/zinc/49/47/46/780494746.db2.gz DLYUKCJICZMMKH-UHFFFAOYSA-N 2 0 256.393 2.920 20 0 CFADRP COc1ccc(C=C2CC[NH2+]CC2)cc1C[NH+](C)C ZINC001240878001 780496457 /nfs/dbraw/zinc/49/64/57/780496457.db2.gz DDAWOCCEBXMPJT-UHFFFAOYSA-N 2 0 260.381 2.524 20 0 CFADRP C(c1ccc(COC2CC[NH2+]CC2)cc1)=C1CC[NH2+]CC1 ZINC001240877471 780496656 /nfs/dbraw/zinc/49/66/56/780496656.db2.gz WQOPDXHHSOHIRF-UHFFFAOYSA-N 2 0 286.419 2.722 20 0 CFADRP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccccc2O)CC1 ZINC001241019507 780596010 /nfs/dbraw/zinc/59/60/10/780596010.db2.gz CMLIREDQYNBUKG-UHFFFAOYSA-N 2 0 282.387 2.982 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cncc(OC)c1 ZINC000700050988 780657793 /nfs/dbraw/zinc/65/77/93/780657793.db2.gz UGNZXSGSUXHCQM-AWEZNQCLSA-N 2 0 279.428 2.690 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)C1 ZINC000700822062 780725948 /nfs/dbraw/zinc/72/59/48/780725948.db2.gz BAFMZQOUOGOLMH-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[N@H+]1CC=C(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC001241329878 780784659 /nfs/dbraw/zinc/78/46/59/780784659.db2.gz COWKGOGVGAJDIY-UHFFFAOYSA-N 3 0 299.462 2.576 20 0 CFADRP CC[NH+](CC)Cc1cncc(C2=CC[N@H+](C)CC2)c1 ZINC001241330623 780784880 /nfs/dbraw/zinc/78/48/80/780784880.db2.gz WECFGJMCGADQEH-UHFFFAOYSA-N 2 0 259.397 2.642 20 0 CFADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC000703576587 781034812 /nfs/dbraw/zinc/03/48/12/781034812.db2.gz OOXFYFYTQBEXGH-DOTOQJQBSA-N 2 0 256.393 2.605 20 0 CFADRP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703583186 781035581 /nfs/dbraw/zinc/03/55/81/781035581.db2.gz JRAWUDREUZUUNF-SUMWQHHRSA-N 2 0 270.376 2.783 20 0 CFADRP C[N@H+](CCc1cccs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703796711 781059648 /nfs/dbraw/zinc/05/96/48/781059648.db2.gz JYRJFPORDGZZSX-AGUYFDCRSA-N 2 0 264.438 2.753 20 0 CFADRP CC(C)OC1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000703788001 781061583 /nfs/dbraw/zinc/06/15/83/781061583.db2.gz PRIDTASPQFMECL-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)CCCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000703987211 781086245 /nfs/dbraw/zinc/08/62/45/781086245.db2.gz NRGUPWKUYKZHJJ-KRWDZBQOSA-N 2 0 283.504 2.674 20 0 CFADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC001118057607 781176281 /nfs/dbraw/zinc/17/62/81/781176281.db2.gz FDILVLMCGSVQMC-OLZOCXBDSA-N 2 0 250.386 2.652 20 0 CFADRP [NH3+]CCc1ccccc1-c1ccccc1CN1CCOCC1 ZINC001241996057 781223465 /nfs/dbraw/zinc/22/34/65/781223465.db2.gz UWGJDGIQPMKDOX-UHFFFAOYSA-N 2 0 296.414 2.687 20 0 CFADRP COc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C[NH+](C)C ZINC001242025547 781239428 /nfs/dbraw/zinc/23/94/28/781239428.db2.gz DETDOWTYTAAUEL-CVEARBPZSA-N 2 0 272.392 2.665 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC[N@@H+]1C ZINC000709652008 781296529 /nfs/dbraw/zinc/29/65/29/781296529.db2.gz BVXZZAJBGQHYKI-MCIONIFRSA-N 2 0 268.445 2.652 20 0 CFADRP CC1(C)C[C@H](C[NH2+][C@H]2CC[NH2+]CC2(C)C)C(C)(C)O1 ZINC000709655660 781296572 /nfs/dbraw/zinc/29/65/72/781296572.db2.gz KBGCGZDRVWAYPL-OLZOCXBDSA-N 2 0 268.445 2.558 20 0 CFADRP CC1(C)C[C@@H](C[NH+]2CCC(CC[NH3+])CC2)C(C)(C)O1 ZINC000709701084 781300833 /nfs/dbraw/zinc/30/08/33/781300833.db2.gz ADSHTOYLSFVRFY-AWEZNQCLSA-N 2 0 268.445 2.641 20 0 CFADRP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709704841 781302255 /nfs/dbraw/zinc/30/22/55/781302255.db2.gz ZUZFSSGRARXBID-KBPBESRZSA-N 2 0 268.445 2.512 20 0 CFADRP C[NH+](C)CCOc1ccc(-c2cccc3c[nH+]cn32)cc1 ZINC001242153021 781304311 /nfs/dbraw/zinc/30/43/11/781304311.db2.gz TWJNNRJMYZYLKM-UHFFFAOYSA-N 2 0 281.359 2.942 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)CC[NH2+]1 ZINC000709500649 781312043 /nfs/dbraw/zinc/31/20/43/781312043.db2.gz MKFLPJBQEDBOPF-WOPDTQHZSA-N 2 0 264.335 2.649 20 0 CFADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3cccnc31)C2 ZINC000709801890 781318465 /nfs/dbraw/zinc/31/84/65/781318465.db2.gz GKMZFHMYBNDTBB-MAZHCROVSA-N 2 0 267.376 2.546 20 0 CFADRP CCOC(=O)CCCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709829093 781318934 /nfs/dbraw/zinc/31/89/34/781318934.db2.gz SRWZXAVVHSSIIO-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709922174 781322332 /nfs/dbraw/zinc/32/23/32/781322332.db2.gz YMYDCHUGISAXPB-OCCSQVGLSA-N 2 0 260.372 2.743 20 0 CFADRP C[C@H](C1CCCCC1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710159511 781329693 /nfs/dbraw/zinc/32/96/93/781329693.db2.gz OLCDIKXVCSVGKF-LLVKDONJSA-N 2 0 279.453 2.929 20 0 CFADRP CC1(C)C[C@H](C[N@@H+]2CCC3(C2)CC[NH2+]CC3)C(C)(C)O1 ZINC000711251579 781400627 /nfs/dbraw/zinc/40/06/27/781400627.db2.gz UFXBBSBBMVGACJ-CQSZACIVSA-N 2 0 280.456 2.656 20 0 CFADRP COC(=O)C1(C)CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001168762324 781415634 /nfs/dbraw/zinc/41/56/34/781415634.db2.gz RGTDGQVKGADCFN-GWUWNPHMSA-N 2 0 296.455 2.571 20 0 CFADRP FC[C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000711480575 781442347 /nfs/dbraw/zinc/44/23/47/781442347.db2.gz WUPRXFSNMLNYIA-LLVKDONJSA-N 2 0 268.401 2.575 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711732038 781468621 /nfs/dbraw/zinc/46/86/21/781468621.db2.gz NDNFDSLSKFTMAA-AWEZNQCLSA-N 2 0 278.444 2.818 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711841208 781475880 /nfs/dbraw/zinc/47/58/80/781475880.db2.gz POUOWYBTSCHAQZ-DOTOQJQBSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1cnc(C2=CC[C@@H]([NH+]3CCCC3)CC2)c(C[NH3+])c1 ZINC001242689620 781698449 /nfs/dbraw/zinc/69/84/49/781698449.db2.gz UCSGZEYSQJYOIL-MRXNPFEDSA-N 2 0 271.408 2.880 20 0 CFADRP C[C@H]1c2sccc2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000712275210 781845213 /nfs/dbraw/zinc/84/52/13/781845213.db2.gz DPXVXWBWXQLGBQ-NSHDSACASA-N 2 0 250.411 2.667 20 0 CFADRP C[NH2+]Cc1ccc(-c2cc(C[NH+](C)C)ccn2)cc1 ZINC001242991260 781903751 /nfs/dbraw/zinc/90/37/51/781903751.db2.gz APQBPICNBOXSIF-UHFFFAOYSA-N 2 0 255.365 2.530 20 0 CFADRP Cn1ccc(C[NH2+]CCCCCCC[NH+](C)C)c1 ZINC000124338402 187133061 /nfs/dbraw/zinc/13/30/61/187133061.db2.gz PXNOQVALGUZQAJ-UHFFFAOYSA-N 2 0 251.418 2.627 20 0 CFADRP CSC1(C[NH2+][C@H]2CC[C@@H](C)SC2)CC[NH+](C)CC1 ZINC000594525795 349441691 /nfs/dbraw/zinc/44/16/91/349441691.db2.gz ZXRLIAKZDRQFOT-OLZOCXBDSA-N 2 0 288.526 2.688 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000353251888 282083897 /nfs/dbraw/zinc/08/38/97/282083897.db2.gz RBLYLDCKELCCMP-OWCLPIDISA-N 2 0 268.445 2.513 20 0 CFADRP C[NH+](C)CCOCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000311636938 282108709 /nfs/dbraw/zinc/10/87/09/282108709.db2.gz ALSBUFMVVNTZLR-HNNXBMFYSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC000127789131 187332639 /nfs/dbraw/zinc/33/26/39/187332639.db2.gz HUDKDYOCQWTXCT-WFASDCNBSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@H](CSCCF)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000595003087 349543919 /nfs/dbraw/zinc/54/39/19/349543919.db2.gz CWQJONIASJUZHK-AWEZNQCLSA-N 2 0 276.465 2.789 20 0 CFADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000595045212 349562634 /nfs/dbraw/zinc/56/26/34/349562634.db2.gz ROIKTCJXFMCGSJ-NFOMZHRRSA-N 2 0 298.471 2.817 20 0 CFADRP C[C@H](CSCCF)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000595045842 349562691 /nfs/dbraw/zinc/56/26/91/349562691.db2.gz HWNUUDXVHNAZJH-HZSPNIEDSA-N 2 0 274.449 2.684 20 0 CFADRP CC[NH+]1CCC([NH2+]CCC2(CSC)CC2)CC1 ZINC000595068973 349573570 /nfs/dbraw/zinc/57/35/70/349573570.db2.gz MNDJJTPJWAERHQ-UHFFFAOYSA-N 2 0 256.459 2.594 20 0 CFADRP c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000096950580 185139075 /nfs/dbraw/zinc/13/90/75/185139075.db2.gz NLGDJMVTLQTUNH-QGZVFWFLSA-N 2 0 258.409 2.898 20 0 CFADRP CC[C@H](C(=O)OC(C)(C)C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504452 349644765 /nfs/dbraw/zinc/64/47/65/349644765.db2.gz JOKAIHKNIODDQE-PBHICJAKSA-N 2 0 296.455 2.524 20 0 CFADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)CCC[NH3+] ZINC000415018550 529426545 /nfs/dbraw/zinc/42/65/45/529426545.db2.gz HCUAMVUEQYEOCX-UKRRQHHQSA-N 2 0 294.439 2.742 20 0 CFADRP CC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414832167 529430672 /nfs/dbraw/zinc/43/06/72/529430672.db2.gz FAECBCMEWZDMGL-DLBZAZTESA-N 2 0 260.425 2.987 20 0 CFADRP CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000070183504 346907382 /nfs/dbraw/zinc/90/73/82/346907382.db2.gz HCIVHNNBRZTGNB-UHFFFAOYSA-N 2 0 262.397 2.646 20 0 CFADRP CCc1cccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431032612 529542737 /nfs/dbraw/zinc/54/27/37/529542737.db2.gz DLOZFOHXPCRBPE-UHFFFAOYSA-N 2 0 288.435 2.703 20 0 CFADRP CCc1cccc2c(CC[NH2+][C@@H](C)C[C@H](C)[NH3+])c[nH]c21 ZINC000422915824 529553324 /nfs/dbraw/zinc/55/33/24/529553324.db2.gz ZETYQTYBMGMBNO-STQMWFEESA-N 2 0 273.424 2.988 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414838528 529567618 /nfs/dbraw/zinc/56/76/18/529567618.db2.gz LGIUDPVDNUFGBK-CQSZACIVSA-N 2 0 276.424 2.737 20 0 CFADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC1(C)C ZINC000414125684 529585203 /nfs/dbraw/zinc/58/52/03/529585203.db2.gz QHMALUWUUSHMNZ-PVAVHDDUSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423310910 529610685 /nfs/dbraw/zinc/61/06/85/529610685.db2.gz SOXXCZBFTNGBLV-JSGCOSHPSA-N 2 0 250.386 2.639 20 0 CFADRP CC[C@H]([NH2+]CCCOc1ccccc1C)[C@@H]1CCC[NH2+]1 ZINC000422744595 529599138 /nfs/dbraw/zinc/59/91/38/529599138.db2.gz TXQGKTWEGIGQGD-HOTGVXAUSA-N 2 0 276.424 2.884 20 0 CFADRP CC[C@H]([NH2+]CCCOc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422779978 529599294 /nfs/dbraw/zinc/59/92/94/529599294.db2.gz CQCFPBWNXOHCDM-HOTGVXAUSA-N 2 0 262.397 2.576 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000422991102 529622626 /nfs/dbraw/zinc/62/26/26/529622626.db2.gz PFBQAUOGOHXPFV-DFBDCSAJSA-N 2 0 270.420 2.693 20 0 CFADRP CC[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178920316 529626010 /nfs/dbraw/zinc/62/60/10/529626010.db2.gz WXHGHBRRWXEXEJ-MRXNPFEDSA-N 2 0 296.455 2.526 20 0 CFADRP CC[C@H](NCc1ccc(F)c(C[NH+](C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422743983 529627379 /nfs/dbraw/zinc/62/73/79/529627379.db2.gz JLGXYDGUTLILGT-IRXDYDNUSA-N 2 0 293.430 2.508 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423173750 529614478 /nfs/dbraw/zinc/61/44/78/529614478.db2.gz ZYVFJHCWCIXGOJ-VGWMRTNUSA-N 2 0 250.430 2.933 20 0 CFADRP CCc1ccc(C(C)(C)C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422836369 529615391 /nfs/dbraw/zinc/61/53/91/529615391.db2.gz JVPJLLUKFBTPRD-CYBMUJFWSA-N 2 0 260.425 2.724 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC[C@H]1F ZINC000339587687 282251831 /nfs/dbraw/zinc/25/18/31/282251831.db2.gz RJTSQSYBMWESLP-CABCVRRESA-N 2 0 274.343 2.556 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC[C@H]1F ZINC000339587689 282251674 /nfs/dbraw/zinc/25/16/74/282251674.db2.gz RJTSQSYBMWESLP-HUUCEWRRSA-N 2 0 274.343 2.556 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000423219118 529707107 /nfs/dbraw/zinc/70/71/07/529707107.db2.gz WEPBIMOOLQDSHX-NEPJUHHUSA-N 2 0 252.427 2.961 20 0 CFADRP C[C@H](C[NH2+]CCCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000295002694 199293560 /nfs/dbraw/zinc/29/35/60/199293560.db2.gz IIGASUFEBFQPDX-GFCCVEGCSA-N 2 0 270.367 3.000 20 0 CFADRP CCC(CC)[C@H](CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)OC ZINC000422992493 282273464 /nfs/dbraw/zinc/27/34/64/282273464.db2.gz CRSUKOSANBDKDK-KBMXLJTQSA-N 2 0 270.461 2.948 20 0 CFADRP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)o1 ZINC000423260983 529721296 /nfs/dbraw/zinc/72/12/96/529721296.db2.gz RBSGLCJFRQTCEL-QWHCGFSZSA-N 2 0 250.386 2.882 20 0 CFADRP CCc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422727665 529723799 /nfs/dbraw/zinc/72/37/99/529723799.db2.gz CZJJZQMJSBMOHR-BZSNNMDCSA-N 2 0 289.467 2.569 20 0 CFADRP CCc1nc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])cs1 ZINC000422718465 529746702 /nfs/dbraw/zinc/74/67/02/529746702.db2.gz XIOKZNFTWBRARD-QWRGUYRKSA-N 2 0 255.431 2.874 20 0 CFADRP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422719394 529792017 /nfs/dbraw/zinc/79/20/17/529792017.db2.gz RBLBJIZOAWDLGC-FGTMMUONSA-N 2 0 287.451 2.763 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCOC2)C1 ZINC000072966047 346953009 /nfs/dbraw/zinc/95/30/09/346953009.db2.gz AXANCOSXXDLEGY-ZACQAIPSSA-N 2 0 280.456 2.609 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)s1 ZINC000129279978 539346014 /nfs/dbraw/zinc/34/60/14/539346014.db2.gz MMGGANJLZFLDFL-SNVBAGLBSA-N 2 0 291.258 2.974 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccc(F)cc1 ZINC000128034705 187347577 /nfs/dbraw/zinc/34/75/77/187347577.db2.gz OFUOWXZXHHDHCU-UMPJEAMMSA-N 2 0 294.414 2.911 20 0 CFADRP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128050125 187348234 /nfs/dbraw/zinc/34/82/34/187348234.db2.gz ASZQJVPAIQONKI-IAGOWNOFSA-N 2 0 258.409 2.965 20 0 CFADRP CN(CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422744112 529883833 /nfs/dbraw/zinc/88/38/33/529883833.db2.gz VLYKFESURDRHKS-SJPCQFCGSA-N 2 0 287.451 2.776 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000423161596 529883872 /nfs/dbraw/zinc/88/38/72/529883872.db2.gz JGCLWGJGXWEHKK-FGTMMUONSA-N 3 0 293.499 2.761 20 0 CFADRP C[N@H+](CCCCc1ccccc1)CC1CC[NH2+]CC1 ZINC000157339276 529885643 /nfs/dbraw/zinc/88/56/43/529885643.db2.gz UZNGXWFKJBHVLF-UHFFFAOYSA-N 2 0 260.425 2.941 20 0 CFADRP C[N@H+](CCC[NH+]1CCCCC1)CCC1CCOCC1 ZINC000161529741 529887147 /nfs/dbraw/zinc/88/71/47/529887147.db2.gz RNXUNMGKNMXDPD-UHFFFAOYSA-N 2 0 268.445 2.611 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348089314 539367576 /nfs/dbraw/zinc/36/75/76/539367576.db2.gz USIGHKDZLWSIKX-HZPDHXFCSA-N 2 0 250.430 2.885 20 0 CFADRP CN(CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422804534 529917779 /nfs/dbraw/zinc/91/77/79/529917779.db2.gz FJJWUGQDGFWRNT-ROUUACIJSA-N 2 0 281.403 2.857 20 0 CFADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348103911 539386795 /nfs/dbraw/zinc/38/67/95/539386795.db2.gz MWJBSYYASWLNIM-ZWKOTPCHSA-N 2 0 288.435 2.905 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000423208096 529971352 /nfs/dbraw/zinc/97/13/52/529971352.db2.gz YVJIEHVQLIQMSH-SFHVURJKSA-N 2 0 299.418 2.573 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414864679 529971391 /nfs/dbraw/zinc/97/13/91/529971391.db2.gz ZSFHXPBPRJXODM-NSHDSACASA-N 2 0 274.330 2.836 20 0 CFADRP C[NH2+]CCC[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000423200095 529971498 /nfs/dbraw/zinc/97/14/98/529971498.db2.gz LQSXCWOIRDLWSZ-SNVBAGLBSA-N 2 0 288.338 2.557 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CCCSC)CC1 ZINC000075007616 347047386 /nfs/dbraw/zinc/04/73/86/347047386.db2.gz CCXZEHNALSSVDM-UHFFFAOYSA-N 2 0 288.501 2.562 20 0 CFADRP C[NH2+]CCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000414857897 529971065 /nfs/dbraw/zinc/97/10/65/529971065.db2.gz GMCIKDBCFHBTFR-UHFFFAOYSA-N 2 0 294.402 2.725 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000423200036 529971187 /nfs/dbraw/zinc/97/11/87/529971187.db2.gz LMGQXUGBXCMNQE-AWEZNQCLSA-N 2 0 264.413 2.982 20 0 CFADRP C[NH2+]CCc1ccccc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000422551808 529979046 /nfs/dbraw/zinc/97/90/46/529979046.db2.gz OSMGCOYGPDYKID-AWEZNQCLSA-N 2 0 288.395 2.544 20 0 CFADRP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC([NH3+])C1 ZINC000414765839 529990054 /nfs/dbraw/zinc/99/00/54/529990054.db2.gz CSCXVMOPSKBEBN-UHFFFAOYSA-N 2 0 297.402 2.582 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414839320 529985392 /nfs/dbraw/zinc/98/53/92/529985392.db2.gz MEGLQSYQBLBWJR-SECBINFHSA-N 2 0 261.196 2.939 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000423283082 529985571 /nfs/dbraw/zinc/98/55/71/529985571.db2.gz XBLFDGMPEFWYGB-NEPJUHHUSA-N 2 0 276.380 2.948 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000423281942 529985673 /nfs/dbraw/zinc/98/56/73/529985673.db2.gz VZCSWFKLCXWOMI-DLTLXFJOSA-N 2 0 276.424 2.632 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000414839720 529998772 /nfs/dbraw/zinc/99/87/72/529998772.db2.gz MMEXZRAQMXRFDJ-ZDUSSCGKSA-N 2 0 272.392 2.794 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000423274016 529999415 /nfs/dbraw/zinc/99/94/15/529999415.db2.gz LOOITDNDWIDSCF-YOEHRIQHSA-N 2 0 260.425 2.761 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000423256157 529999559 /nfs/dbraw/zinc/99/95/59/529999559.db2.gz BIWXDQLCFNFREQ-UAGQMJEPSA-N 2 0 290.451 2.815 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)Cc1ccccc1SC ZINC000414844473 529999594 /nfs/dbraw/zinc/99/95/94/529999594.db2.gz RLQFPDZOERZWIO-QWHCGFSZSA-N 2 0 266.454 2.785 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423280023 529999858 /nfs/dbraw/zinc/99/98/58/529999858.db2.gz UBNMZIJYAQEZOV-VHSXEESVSA-N 2 0 258.768 2.985 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000423277012 529999905 /nfs/dbraw/zinc/99/99/05/529999905.db2.gz PHKZOTKZCKLJIB-JJRVBVJISA-N 2 0 294.414 2.739 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000097862621 530005096 /nfs/dbraw/zinc/00/50/96/530005096.db2.gz RRAXSYGHMYMFQV-OAHLLOKOSA-N 2 0 269.392 2.585 20 0 CFADRP C[NH2+]Cc1ccc(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000414979174 530007182 /nfs/dbraw/zinc/00/71/82/530007182.db2.gz TZBSITRHBYMHTP-GVDBMIGSSA-N 2 0 273.424 2.739 20 0 CFADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000273207615 192074420 /nfs/dbraw/zinc/07/44/20/192074420.db2.gz KZJJBOWWACFYQA-ZDUSSCGKSA-N 2 0 291.439 2.853 20 0 CFADRP C[NH+](C)C1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000225635404 539413795 /nfs/dbraw/zinc/41/37/95/539413795.db2.gz QVGKBBQQCDHIST-YOTSKQKMSA-N 2 0 292.467 2.797 20 0 CFADRP FC(F)(F)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000226006604 539422157 /nfs/dbraw/zinc/42/21/57/539422157.db2.gz XBUIGZZJHPZXTI-NWDGAFQWSA-N 2 0 264.335 2.650 20 0 CFADRP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000226013003 539422419 /nfs/dbraw/zinc/42/24/19/539422419.db2.gz XMROPZPXNHZXCY-GOEBONIOSA-N 2 0 262.397 2.645 20 0 CFADRP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)s1 ZINC000226015008 539422603 /nfs/dbraw/zinc/42/26/03/539422603.db2.gz KFEFKIQCQNTADC-FZMZJTMJSA-N 2 0 252.427 2.870 20 0 CFADRP CCC1(CC)[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1OC ZINC000423433607 282390852 /nfs/dbraw/zinc/39/08/52/282390852.db2.gz KBDNJNSHVLQUQK-FZKCQIBNSA-N 2 0 280.456 2.558 20 0 CFADRP CCC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295107171 199348150 /nfs/dbraw/zinc/34/81/50/199348150.db2.gz UWPZNOLNUYPZJN-ROUUACIJSA-N 2 0 290.451 2.601 20 0 CFADRP CCC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295107169 199348280 /nfs/dbraw/zinc/34/82/80/199348280.db2.gz UWPZNOLNUYPZJN-QZTJIDSGSA-N 2 0 290.451 2.601 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCCC1 ZINC000348428121 539466009 /nfs/dbraw/zinc/46/60/09/539466009.db2.gz XVLIVIYKCFCZSN-LSDHHAIUSA-N 2 0 250.430 2.887 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000089550925 539470132 /nfs/dbraw/zinc/47/01/32/539470132.db2.gz HLPDLTHZBDQLCV-GOEBONIOSA-N 2 0 276.424 2.558 20 0 CFADRP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1F ZINC000127455068 187307758 /nfs/dbraw/zinc/30/77/58/187307758.db2.gz FTQKUTDBQUYXTR-CTASWTNQSA-N 2 0 294.414 2.911 20 0 CFADRP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000129989384 539483829 /nfs/dbraw/zinc/48/38/29/539483829.db2.gz QDUANZLATXQSEB-HZPDHXFCSA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000071159155 539504476 /nfs/dbraw/zinc/50/44/76/539504476.db2.gz URQXIWCEZDINKO-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000123726141 539505163 /nfs/dbraw/zinc/50/51/63/539505163.db2.gz SHYUAAQDXXVGRV-OAHLLOKOSA-N 3 0 289.467 2.568 20 0 CFADRP c1cc2c(s1)CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000123881767 539512041 /nfs/dbraw/zinc/51/20/41/539512041.db2.gz DVEWXVIZPNQEFT-UHFFFAOYSA-N 2 0 284.428 2.952 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C(C)(C)C ZINC000668474644 539518615 /nfs/dbraw/zinc/51/86/15/539518615.db2.gz BWFUMLRDYHSCIW-GJZGRUSLSA-N 2 0 271.493 2.530 20 0 CFADRP CC[C@H](O)CC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090189315 539527436 /nfs/dbraw/zinc/52/74/36/539527436.db2.gz AWRKTGFQDNSILP-IRXDYDNUSA-N 2 0 290.451 2.790 20 0 CFADRP C[N@H+](C/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746920 346347870 /nfs/dbraw/zinc/34/78/70/346347870.db2.gz NXRJVKWGEFJXEN-SUSQJDKUSA-N 2 0 256.393 2.915 20 0 CFADRP CN(C)c1cccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000075645016 347090310 /nfs/dbraw/zinc/09/03/10/347090310.db2.gz SEVYGYRUZHXWCG-UHFFFAOYSA-N 2 0 289.467 2.916 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000537958360 539539051 /nfs/dbraw/zinc/53/90/51/539539051.db2.gz RSCNRXPVMLVUIW-DZGCQCFKSA-N 2 0 262.397 2.576 20 0 CFADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C(C)(C)CC)CC[NH2+]CC1 ZINC000596648746 349967966 /nfs/dbraw/zinc/96/79/66/349967966.db2.gz AASWWDNNIFNLKP-KGLIPLIRSA-N 2 0 298.471 2.722 20 0 CFADRP CSCC1(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000596650983 349968726 /nfs/dbraw/zinc/96/87/26/349968726.db2.gz NASHRYFRTAYANZ-CHWSQXEVSA-N 2 0 256.459 2.640 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000055059007 346581338 /nfs/dbraw/zinc/58/13/38/346581338.db2.gz HSPOLGFOSFWXJP-UHFFFAOYSA-N 2 0 298.471 2.772 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000668512308 539545938 /nfs/dbraw/zinc/54/59/38/539545938.db2.gz LMFWIWGDRRTXNP-YOEHRIQHSA-N 2 0 273.424 2.539 20 0 CFADRP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccccc1)[NH+](C)C ZINC000066245180 346751146 /nfs/dbraw/zinc/75/11/46/346751146.db2.gz CCZYMXNWNHTNAR-HNNXBMFYSA-N 2 0 276.428 2.989 20 0 CFADRP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000091284512 347581314 /nfs/dbraw/zinc/58/13/14/347581314.db2.gz WRJOMIZVGYCEHV-RHSMWYFYSA-N 2 0 273.424 2.853 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093943739 347689189 /nfs/dbraw/zinc/68/91/89/347689189.db2.gz NMAWTOIMWJJFDW-ZIAGYGMSSA-N 2 0 263.429 2.743 20 0 CFADRP CC(C)Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000112013894 347757989 /nfs/dbraw/zinc/75/79/89/347757989.db2.gz ZYGDPJIUUVYFQJ-IAGOWNOFSA-N 2 0 258.409 2.536 20 0 CFADRP C[C@H]([NH2+]CCCF)c1ccc(OCC[NH+](C)C)cc1 ZINC000127021482 347838319 /nfs/dbraw/zinc/83/83/19/347838319.db2.gz JTCXVTOGCSNPOJ-ZDUSSCGKSA-N 2 0 268.376 2.637 20 0 CFADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000086585498 179310203 /nfs/dbraw/zinc/31/02/03/179310203.db2.gz PQUNGQMZLMXCKG-ZDUSSCGKSA-N 2 0 294.826 2.923 20 0 CFADRP C[C@H]1SCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]1C ZINC000133008887 347888576 /nfs/dbraw/zinc/88/85/76/347888576.db2.gz ZNYINBAQVDGDQJ-QWHCGFSZSA-N 2 0 276.449 2.658 20 0 CFADRP C[NH+]1CCN(C[C@@H]([NH2+]CC(C)(C)C)c2ccccc2)CC1 ZINC000135878170 347908828 /nfs/dbraw/zinc/90/88/28/347908828.db2.gz HRFGWUHQWKDINZ-QGZVFWFLSA-N 2 0 289.467 2.611 20 0 CFADRP CCc1cccc(OCC[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152483788 347968765 /nfs/dbraw/zinc/96/87/65/347968765.db2.gz PDXXTUNUOLRTHC-KRWDZBQOSA-N 2 0 290.451 2.901 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000158175037 348005277 /nfs/dbraw/zinc/00/52/77/348005277.db2.gz BWEIHMVRWBIAFD-RCCFBDPRSA-N 3 0 295.515 2.817 20 0 CFADRP C1CCC([NH+]2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000161645475 348025338 /nfs/dbraw/zinc/02/53/38/348025338.db2.gz BHPZLUUKCXGOJI-FUHWJXTLSA-N 2 0 291.483 2.610 20 0 CFADRP CSCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000154812301 347982721 /nfs/dbraw/zinc/98/27/21/347982721.db2.gz QDHJVMYIGJCWJX-HIFRSBDPSA-N 2 0 270.486 2.982 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000171304722 348074473 /nfs/dbraw/zinc/07/44/73/348074473.db2.gz GZYCNWBRRHJSIH-HZPDHXFCSA-N 2 0 294.483 2.998 20 0 CFADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccco2)C1 ZINC000226683231 348184778 /nfs/dbraw/zinc/18/47/78/348184778.db2.gz ASWCSHIWRRVPSQ-HUUCEWRRSA-N 2 0 264.413 2.921 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)CC[N@@H+]1C ZINC000229664203 348202920 /nfs/dbraw/zinc/20/29/20/348202920.db2.gz DOXRCWHNRHCNFA-DOMZBBRYSA-N 2 0 257.381 2.740 20 0 CFADRP CN(CC[NH2+]Cc1ccc(O)cc1)Cc1ccccc1 ZINC000237155711 348238122 /nfs/dbraw/zinc/23/81/22/348238122.db2.gz XSWSXCGDMBRSID-UHFFFAOYSA-N 2 0 270.376 2.614 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252777868 348298176 /nfs/dbraw/zinc/29/81/76/348298176.db2.gz KZYBWLOFDQUZAQ-DZGCQCFKSA-N 2 0 262.397 2.645 20 0 CFADRP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000257743381 348307241 /nfs/dbraw/zinc/30/72/41/348307241.db2.gz ZFYQXYOASJSHLW-QGZVFWFLSA-N 2 0 258.409 2.879 20 0 CFADRP C[NH+](C)CCS[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413003802 233000343 /nfs/dbraw/zinc/00/03/43/233000343.db2.gz YDAVKTGCLNEDQE-HNNXBMFYSA-N 2 0 264.438 2.556 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)[C@H]2CCC[C@H]21 ZINC000375861252 290217309 /nfs/dbraw/zinc/21/73/09/290217309.db2.gz MNDITOMXCCGBFK-GRYCIOLGSA-N 2 0 264.335 2.791 20 0 CFADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC(C)(C)C2)ccn1 ZINC000273363948 192126436 /nfs/dbraw/zinc/12/64/36/192126436.db2.gz OWDQJCRZNGADLE-OAHLLOKOSA-N 2 0 291.439 2.690 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H](CCO)c2ccccc2)CC1 ZINC000305118575 539641253 /nfs/dbraw/zinc/64/12/53/539641253.db2.gz ITZBEQNTWWWTEC-QGZVFWFLSA-N 2 0 290.451 2.617 20 0 CFADRP FC1(F)CC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000381008209 348525901 /nfs/dbraw/zinc/52/59/01/348525901.db2.gz WLYSVXTUAHTOQK-JSGCOSHPSA-N 2 0 272.383 2.886 20 0 CFADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404272970 348590484 /nfs/dbraw/zinc/59/04/84/348590484.db2.gz LUMKUVAYRGIYLV-CABCVRRESA-N 2 0 284.444 2.559 20 0 CFADRP COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(F)c1 ZINC000584841024 348721167 /nfs/dbraw/zinc/72/11/67/348721167.db2.gz BBXUSEYUCNFADH-CYBMUJFWSA-N 2 0 292.398 2.798 20 0 CFADRP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000588177949 348777420 /nfs/dbraw/zinc/77/74/20/348777420.db2.gz YUPOGMXNRSKMMQ-RRWQFYAYSA-N 2 0 286.419 2.925 20 0 CFADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000666645114 539670420 /nfs/dbraw/zinc/67/04/20/539670420.db2.gz LPZYGNWQPXHYFN-QGZVFWFLSA-N 2 0 289.467 2.581 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(=O)OCC)CC1 ZINC000590659351 348924309 /nfs/dbraw/zinc/92/43/09/348924309.db2.gz JTHHYVUKOPXZTO-JKSUJKDBSA-N 2 0 296.455 2.572 20 0 CFADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000591869116 349052311 /nfs/dbraw/zinc/05/23/11/349052311.db2.gz KOMGINPTYQATMK-KRWDZBQOSA-N 2 0 298.390 2.679 20 0 CFADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1C ZINC000414097590 233166673 /nfs/dbraw/zinc/16/66/73/233166673.db2.gz PLVYAPYNBXCDHZ-KEYYUXOJSA-N 2 0 273.424 2.932 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)c(C)c1 ZINC000414052385 233155133 /nfs/dbraw/zinc/15/51/33/233155133.db2.gz KYAAGYHWWRKYBG-ZDUSSCGKSA-N 2 0 250.386 2.606 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000414185523 233189539 /nfs/dbraw/zinc/18/95/39/233189539.db2.gz OUQPYXGWHLUMMD-VXGBXAGGSA-N 2 0 253.415 2.526 20 0 CFADRP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000414180331 233188540 /nfs/dbraw/zinc/18/85/40/233188540.db2.gz LWKOKBKICVXBOQ-ZIAGYGMSSA-N 2 0 250.386 2.971 20 0 CFADRP CS[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)(C)C ZINC000592471136 349126480 /nfs/dbraw/zinc/12/64/80/349126480.db2.gz ZIGGGQFMWQOUFS-REWJHTLYSA-N 2 0 270.486 2.742 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccncc1F ZINC000414201381 233195223 /nfs/dbraw/zinc/19/52/23/233195223.db2.gz YCTCKKKNVKMVTM-STQMWFEESA-N 2 0 265.376 2.603 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)C1CC[NH+](C)CC1 ZINC000127629792 539725354 /nfs/dbraw/zinc/72/53/54/539725354.db2.gz MBZIUDLBURTIOV-UONOGXRCSA-N 2 0 294.414 2.913 20 0 CFADRP CCCCOCCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000128056829 539732830 /nfs/dbraw/zinc/73/28/30/539732830.db2.gz ZARBMSNNVWKICD-AWEZNQCLSA-N 2 0 256.434 2.513 20 0 CFADRP CSC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000597247834 350071964 /nfs/dbraw/zinc/07/19/64/350071964.db2.gz FMONGWILFDBTBE-UHFFFAOYSA-N 2 0 282.497 2.984 20 0 CFADRP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090721281 180032236 /nfs/dbraw/zinc/03/22/36/180032236.db2.gz FDNALWXCCNBUFA-UKRRQHHQSA-N 2 0 262.397 2.658 20 0 CFADRP [NH3+]C1(c2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)CCCC1 ZINC000414619979 233305060 /nfs/dbraw/zinc/30/50/60/233305060.db2.gz OVMNTGRCKHRXOF-CYBMUJFWSA-N 2 0 290.411 2.877 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C[C@H]21 ZINC000414659709 233317410 /nfs/dbraw/zinc/31/74/10/233317410.db2.gz LMROOGBKFALDJU-DISONHOPSA-N 2 0 270.420 2.849 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414672970 233321402 /nfs/dbraw/zinc/32/14/02/233321402.db2.gz PWLHJPFQAKZJQK-ZBFHGGJFSA-N 2 0 276.424 2.905 20 0 CFADRP C[C@@H]1C[C@@H](C[NH2+]C2(c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414715982 233336584 /nfs/dbraw/zinc/33/65/84/233336584.db2.gz XQQQLNWSFWHMNX-OLZOCXBDSA-N 2 0 262.372 2.793 20 0 CFADRP Cc1nc(C(C)(C)[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)sc1C ZINC000414716989 233338012 /nfs/dbraw/zinc/33/80/12/233338012.db2.gz YQHKCCZTSWAWKH-MFKMUULPSA-N 2 0 281.469 2.973 20 0 CFADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091539271 180182892 /nfs/dbraw/zinc/18/28/92/180182892.db2.gz WVCCWEKMCIXKHS-LSDHHAIUSA-N 2 0 289.423 2.594 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1 ZINC000414796234 233354932 /nfs/dbraw/zinc/35/49/32/233354932.db2.gz HDPVDAMUJXTTSY-JSGCOSHPSA-N 2 0 284.350 2.895 20 0 CFADRP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414797644 233355124 /nfs/dbraw/zinc/35/51/24/233355124.db2.gz PGCAAWUABPPVIA-TZMCWYRMSA-N 2 0 266.454 2.912 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1F ZINC000414772224 233347340 /nfs/dbraw/zinc/34/73/40/233347340.db2.gz BLWMNTRPAPEDMF-HOTGVXAUSA-N 2 0 276.399 2.956 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414779434 233348818 /nfs/dbraw/zinc/34/88/18/233348818.db2.gz KBGHBKPPDNJGSY-MSOLQXFVSA-N 2 0 288.435 2.655 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000414790002 233351776 /nfs/dbraw/zinc/35/17/76/233351776.db2.gz GGCBDXRGCCRDNH-SKDRFNHKSA-N 2 0 256.752 2.696 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414792681 233353070 /nfs/dbraw/zinc/35/30/70/233353070.db2.gz CQTQHSBMPUZPFH-WCBMZHEXSA-N 2 0 293.358 2.769 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000414810637 233360535 /nfs/dbraw/zinc/36/05/35/233360535.db2.gz VKQPHQRSQFMJFC-FZMZJTMJSA-N 2 0 292.814 2.595 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414813359 233362270 /nfs/dbraw/zinc/36/22/70/233362270.db2.gz YFKRXMZNEBDLMY-JQWIXIFHSA-N 2 0 288.313 2.644 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414818461 233364321 /nfs/dbraw/zinc/36/43/21/233364321.db2.gz FBFUXFDUXHXCFR-IPYPFGDCSA-N 2 0 264.388 2.734 20 0 CFADRP Clc1csc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414829042 233369211 /nfs/dbraw/zinc/36/92/11/233369211.db2.gz AFXWCMZQWSYUCT-JTQLQIEISA-N 2 0 258.818 2.881 20 0 CFADRP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000414827864 233369615 /nfs/dbraw/zinc/36/96/15/233369615.db2.gz YOXZOAZLLCVNLH-IPYPFGDCSA-N 2 0 264.388 2.907 20 0 CFADRP C[C@H](CCc1ccccc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414832137 233370749 /nfs/dbraw/zinc/37/07/49/233370749.db2.gz DVQREBLPLSIUSN-NVXWUHKLSA-N 2 0 260.425 2.987 20 0 CFADRP C[C@@H]1[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000414833792 233372080 /nfs/dbraw/zinc/37/20/80/233372080.db2.gz QFFWJXADDNBXIF-XOSAIJSUSA-N 2 0 258.409 2.768 20 0 CFADRP Cc1ccc(F)cc1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414833078 233372120 /nfs/dbraw/zinc/37/21/20/233372120.db2.gz GBRSGXXSUXZWLI-CYBMUJFWSA-N 2 0 250.361 2.613 20 0 CFADRP COc1ccc2ccccc2c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414836505 233372401 /nfs/dbraw/zinc/37/24/01/233372401.db2.gz SSJGZZUCZUCUOU-CQSZACIVSA-N 2 0 284.403 2.938 20 0 CFADRP c1c2ccccc2sc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414838636 233372633 /nfs/dbraw/zinc/37/26/33/233372633.db2.gz VNTPYGMUOBKWGJ-GFCCVEGCSA-N 2 0 260.406 2.991 20 0 CFADRP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835876 233372796 /nfs/dbraw/zinc/37/27/96/233372796.db2.gz RZXMSZOFKKMQLC-UKRRQHHQSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1cccc(CC[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414839492 233373530 /nfs/dbraw/zinc/37/35/30/233373530.db2.gz WLDSYPHVLNLSPJ-DOTOQJQBSA-N 2 0 260.425 2.905 20 0 CFADRP Cc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414841409 233375177 /nfs/dbraw/zinc/37/51/77/233375177.db2.gz NYLPVRFNSIMZMP-JKSUJKDBSA-N 2 0 260.425 2.905 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414847056 233375979 /nfs/dbraw/zinc/37/59/79/233375979.db2.gz NXSFLAMGOJDOCB-PMPSAXMXSA-N 2 0 262.372 2.803 20 0 CFADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](C)C[NH3+] ZINC000414876961 233386900 /nfs/dbraw/zinc/38/69/00/233386900.db2.gz MBIKSHYYMOKHDU-SECBINFHSA-N 2 0 260.303 2.698 20 0 CFADRP Cc1cc(C[NH2+]C[C@H](C)C[NH3+])sc1Br ZINC000414880544 233388443 /nfs/dbraw/zinc/38/84/43/233388443.db2.gz RBAPVHNJWDFPQF-SSDOTTSWSA-N 2 0 277.231 2.503 20 0 CFADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414889184 233390306 /nfs/dbraw/zinc/39/03/06/233390306.db2.gz KZXQBYDTEIGKCU-ABAIWWIYSA-N 2 0 298.377 2.936 20 0 CFADRP C[C@@]1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC[NH2+]C1 ZINC000414899960 233392491 /nfs/dbraw/zinc/39/24/91/233392491.db2.gz CWWXYGFNLPGGMH-YESZJQIVSA-N 2 0 258.409 2.769 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414898761 233392634 /nfs/dbraw/zinc/39/26/34/233392634.db2.gz BYDGMFAYRLBBSH-CJNGLKHVSA-N 2 0 264.388 2.736 20 0 CFADRP Cc1cc(Br)ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414900904 233393038 /nfs/dbraw/zinc/39/30/38/233393038.db2.gz FGVUFANFZQGFIU-CQSZACIVSA-N 2 0 297.240 2.989 20 0 CFADRP Cc1cc(Br)c(C[NH2+]CCCC[NH3+])s1 ZINC000414903785 233394338 /nfs/dbraw/zinc/39/43/38/233394338.db2.gz LROQVBBQWSKMOZ-UHFFFAOYSA-N 2 0 277.231 2.648 20 0 CFADRP CCN(CC)C[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442762829 539786205 /nfs/dbraw/zinc/78/62/05/539786205.db2.gz FVFXQBYXHBLBEG-KBPBESRZSA-N 2 0 285.435 2.955 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414913851 233397685 /nfs/dbraw/zinc/39/76/85/233397685.db2.gz XELROFWJLNPODJ-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000414916819 233398258 /nfs/dbraw/zinc/39/82/58/233398258.db2.gz QNBSDDTYJHHUFE-YJBOKZPZSA-N 2 0 290.451 2.996 20 0 CFADRP Cc1ccc(F)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414851997 233377914 /nfs/dbraw/zinc/37/79/14/233377914.db2.gz OYQYQIWCGNKWCU-CYBMUJFWSA-N 2 0 250.361 2.613 20 0 CFADRP C[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCC[NH2+]C1 ZINC000414858552 233380082 /nfs/dbraw/zinc/38/00/82/233380082.db2.gz RXVMTVFKJXJUIR-HIFRSBDPSA-N 2 0 284.407 2.554 20 0 CFADRP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414919906 233399294 /nfs/dbraw/zinc/39/92/94/233399294.db2.gz WBDRNPRIERYIMM-KWCYVHTRSA-N 2 0 250.361 2.616 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)cc2)C1 ZINC000415005134 233432414 /nfs/dbraw/zinc/43/24/14/233432414.db2.gz YZMMLPSEVXLMHI-CHWSQXEVSA-N 2 0 284.350 2.895 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000415004634 233432900 /nfs/dbraw/zinc/43/29/00/233432900.db2.gz YKQWJUDBYGXSIC-CZUORRHYSA-N 2 0 284.407 2.684 20 0 CFADRP Cc1ccccc1-n1nccc1C[NH2+][C@@H](C)CCCC[NH3+] ZINC000415017495 233437372 /nfs/dbraw/zinc/43/73/72/233437372.db2.gz SAYRFKUILNIVEZ-HNNXBMFYSA-N 2 0 286.423 2.788 20 0 CFADRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000414992192 233428039 /nfs/dbraw/zinc/42/80/39/233428039.db2.gz KEUWKIWBQQNYFU-AAEUAGOBSA-N 2 0 292.814 2.595 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000414996452 233429632 /nfs/dbraw/zinc/42/96/32/233429632.db2.gz GIHGFTQYCFDELS-JKSUJKDBSA-N 2 0 287.451 2.763 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415082850 233460585 /nfs/dbraw/zinc/46/05/85/233460585.db2.gz OYTBPLKMFVTHDT-NEPJUHHUSA-N 2 0 282.815 2.826 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000415031126 233442004 /nfs/dbraw/zinc/44/20/04/233442004.db2.gz GMAGBIMZHKZSLF-YPMHNXCESA-N 2 0 273.355 2.591 20 0 CFADRP C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000092253940 180353068 /nfs/dbraw/zinc/35/30/68/180353068.db2.gz RISYHAFCYAFSIB-CQSZACIVSA-N 2 0 271.408 2.942 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000092345933 180366254 /nfs/dbraw/zinc/36/62/54/180366254.db2.gz GXHKLQRFXSWHQD-AWEZNQCLSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000106410132 186115527 /nfs/dbraw/zinc/11/55/27/186115527.db2.gz UDTRCZXGDBLXHZ-AWEZNQCLSA-N 2 0 262.372 2.708 20 0 CFADRP CCOC(=O)CC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658184 350475133 /nfs/dbraw/zinc/47/51/33/350475133.db2.gz PWZQCAXYGRLJRY-UHFFFAOYSA-N 2 0 292.423 2.523 20 0 CFADRP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000600143302 350519417 /nfs/dbraw/zinc/51/94/17/350519417.db2.gz ANUUMLXLKJDSTC-CQSZACIVSA-N 2 0 296.455 2.572 20 0 CFADRP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC[NH+](CC2CC2)CC1 ZINC000668783952 539802563 /nfs/dbraw/zinc/80/25/63/539802563.db2.gz XWRBRKHYAGHQBQ-IXDOHACOSA-N 2 0 262.441 2.887 20 0 CFADRP CCN(C#N)CC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000602804763 351032993 /nfs/dbraw/zinc/03/29/93/351032993.db2.gz JVUFBODQKSDOCD-UHFFFAOYSA-N 2 0 294.487 2.623 20 0 CFADRP CCSCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110645 351106006 /nfs/dbraw/zinc/10/60/06/351106006.db2.gz NOYUAPPDMJFYHY-UHFFFAOYSA-N 2 0 258.475 2.937 20 0 CFADRP CN(C)c1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000608497885 351445326 /nfs/dbraw/zinc/44/53/26/351445326.db2.gz QMYUPSGERVUEPB-MRXNPFEDSA-N 2 0 275.440 2.526 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000611367413 351675114 /nfs/dbraw/zinc/67/51/14/351675114.db2.gz FIHCAIATFRPGOL-UONOGXRCSA-N 2 0 284.444 2.571 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000611366651 351675571 /nfs/dbraw/zinc/67/55/71/351675571.db2.gz FYUFSTXARFHLNP-CABCVRRESA-N 2 0 298.471 2.818 20 0 CFADRP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)[C@H]1CCOC1 ZINC000121787764 186995850 /nfs/dbraw/zinc/99/58/50/186995850.db2.gz LMNJCZSJDJTNMY-JKSUJKDBSA-N 2 0 268.445 2.513 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000291745072 198078051 /nfs/dbraw/zinc/07/80/51/198078051.db2.gz PJQIEIYMKVBXNC-AWEZNQCLSA-N 2 0 286.423 2.672 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(Br)cc1)C[NH+](C)C ZINC000291772556 198087281 /nfs/dbraw/zinc/08/72/81/198087281.db2.gz SZTOWUVCIKJSNJ-LLVKDONJSA-N 2 0 285.229 2.736 20 0 CFADRP C[C@@H]1CC[C@H](C)[NH+]1CCOCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123002310 187064984 /nfs/dbraw/zinc/06/49/84/187064984.db2.gz MHSRBKRUDZSAMK-GEEKYZPCSA-N 2 0 268.445 2.749 20 0 CFADRP COCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000124180013 187125862 /nfs/dbraw/zinc/12/58/62/187125862.db2.gz ITISCCIDDJZNMR-OAHLLOKOSA-N 2 0 276.424 2.797 20 0 CFADRP COCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2C)CC1 ZINC000124254805 187128881 /nfs/dbraw/zinc/12/88/81/187128881.db2.gz YPFXTSDCEDKNQM-MRXNPFEDSA-N 2 0 290.451 2.974 20 0 CFADRP COc1ccc(OC)c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123838949 187110710 /nfs/dbraw/zinc/11/07/10/187110710.db2.gz QVSRSXDACJNJFD-HIFRSBDPSA-N 2 0 292.423 2.618 20 0 CFADRP Cc1cc(C)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292050501 198145070 /nfs/dbraw/zinc/14/50/70/198145070.db2.gz BMHGTSUWWJWSIW-KRWDZBQOSA-N 2 0 258.409 2.831 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000292073957 198152590 /nfs/dbraw/zinc/15/25/90/198152590.db2.gz DXCKSPVLDNNLQB-GOSISDBHSA-N 2 0 270.420 2.703 20 0 CFADRP C1=C(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)COCC1 ZINC000678139514 539889039 /nfs/dbraw/zinc/88/90/39/539889039.db2.gz ZFXHKIFWLKKNON-UHFFFAOYSA-N 2 0 292.467 2.921 20 0 CFADRP Cc1cc(C)cc(OCC[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000110650716 539905303 /nfs/dbraw/zinc/90/53/03/539905303.db2.gz FJMYSYPFPKXEND-OAHLLOKOSA-N 2 0 276.424 2.741 20 0 CFADRP COc1cc(C)ccc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000051694331 539953356 /nfs/dbraw/zinc/95/33/56/539953356.db2.gz UIZZWKLSUFATMZ-HSBZDZAISA-N 2 0 262.397 2.924 20 0 CFADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000150958434 187935566 /nfs/dbraw/zinc/93/55/66/187935566.db2.gz AKEMGSPKZWZLQZ-SFHVURJKSA-N 2 0 289.467 2.753 20 0 CFADRP C[C@H]1CC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)C1 ZINC000415001942 290354191 /nfs/dbraw/zinc/35/41/91/290354191.db2.gz CVRDWNSAGQALGW-AVRGHOLYSA-N 2 0 250.430 2.789 20 0 CFADRP CC[C@H](COC)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000152900011 188051575 /nfs/dbraw/zinc/05/15/75/188051575.db2.gz PKCWCPJRUOSRHZ-GDBMZVCRSA-N 2 0 294.439 2.703 20 0 CFADRP CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000154487343 188145114 /nfs/dbraw/zinc/14/51/14/188145114.db2.gz MBQAUUKLFUKQEM-CGTJXYLNSA-N 2 0 290.451 2.648 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)[C@H]1OCCc2sccc21 ZINC000292411468 198278257 /nfs/dbraw/zinc/27/82/57/198278257.db2.gz MDNGKXDLUUAQQY-HEHGZKQESA-N 2 0 294.464 2.824 20 0 CFADRP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)CC1CC[NH+](C)CC1 ZINC000154771304 188160513 /nfs/dbraw/zinc/16/05/13/188160513.db2.gz TZHMRGYTQZJMDO-UHFFFAOYSA-N 2 0 299.418 2.714 20 0 CFADRP Cc1cccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000154928159 188170984 /nfs/dbraw/zinc/17/09/84/188170984.db2.gz UVUUCODEQCOPDU-RDJZCZTQSA-N 2 0 289.467 2.590 20 0 CFADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC(CO)CC1 ZINC000156269877 188252704 /nfs/dbraw/zinc/25/27/04/188252704.db2.gz UOAOYPDNHXVEMY-UHFFFAOYSA-N 2 0 299.418 2.855 20 0 CFADRP C[N@@H+]1CCC[C@@H]2CN(Cc3cncc(Cl)c3)CC[C@H]21 ZINC000621263302 353310714 /nfs/dbraw/zinc/31/07/14/353310714.db2.gz LSFQRXKNPBJDJR-UKRRQHHQSA-N 2 0 279.815 2.651 20 0 CFADRP Clc1cncc(CN2CCC(n3ccnc3)CC2)c1 ZINC000621262354 353311032 /nfs/dbraw/zinc/31/10/32/353311032.db2.gz YONPJFRIPGYOHC-UHFFFAOYSA-N 2 0 276.771 2.769 20 0 CFADRP C[C@H]1C[NH+](CCCC[NH2+]CC2(C)CCC2)C[C@H](C)O1 ZINC000434756811 540000891 /nfs/dbraw/zinc/00/08/91/540000891.db2.gz LNVDNZWQYUYHBI-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP Clc1cncc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000621775505 353422351 /nfs/dbraw/zinc/42/23/51/353422351.db2.gz QLZWUFVPLDNOSI-HUUCEWRRSA-N 2 0 293.842 2.947 20 0 CFADRP Cc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000621776035 353422872 /nfs/dbraw/zinc/42/28/72/353422872.db2.gz AJUGPKRRTATSJR-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000621780003 353423518 /nfs/dbraw/zinc/42/35/18/353423518.db2.gz MFVIMUYYJMNDDG-RDJZCZTQSA-N 2 0 274.408 2.659 20 0 CFADRP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000292684014 198374965 /nfs/dbraw/zinc/37/49/65/198374965.db2.gz AWHROZUXIMESDN-RHSMWYFYSA-N 2 0 276.399 2.957 20 0 CFADRP FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000622044047 353468558 /nfs/dbraw/zinc/46/85/58/353468558.db2.gz SIVPKELLNAPYJA-RVMXOQNASA-N 2 0 258.356 2.542 20 0 CFADRP CC(C)Oc1ncccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623359620 353624646 /nfs/dbraw/zinc/62/46/46/353624646.db2.gz YIUAFLRSUFQJRW-OAHLLOKOSA-N 2 0 291.439 2.831 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623361686 353625539 /nfs/dbraw/zinc/62/55/39/353625539.db2.gz KIAFFQJVUXJJJE-CYBMUJFWSA-N 2 0 282.815 2.780 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)c(OC)c2)C1 ZINC000623361687 353625606 /nfs/dbraw/zinc/62/56/06/353625606.db2.gz KIAFFQJVUXJJJE-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCOC2CCCCC2)CC1(C)C ZINC000623381382 353630769 /nfs/dbraw/zinc/63/07/69/353630769.db2.gz QXPLNGNKRYJJEI-CQSZACIVSA-N 2 0 268.445 2.798 20 0 CFADRP CCC1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCOCC1 ZINC000623437614 353644403 /nfs/dbraw/zinc/64/44/03/353644403.db2.gz PRRIKJRIQDVIQD-AWEZNQCLSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623469030 353650758 /nfs/dbraw/zinc/65/07/58/353650758.db2.gz NJYGVFQVQGRYRJ-DLBZAZTESA-N 2 0 295.515 2.817 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1(C)C ZINC000623472509 353651378 /nfs/dbraw/zinc/65/13/78/353651378.db2.gz RDIKJLCBSZUTAC-CAOSSQGBSA-N 2 0 292.467 2.797 20 0 CFADRP CCC[NH+]1CCC(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000675746636 540006825 /nfs/dbraw/zinc/00/68/25/540006825.db2.gz OBKYFOGKMOJFFD-JKSUJKDBSA-N 2 0 281.488 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)CC1(C)C ZINC000623344249 353619728 /nfs/dbraw/zinc/61/97/28/353619728.db2.gz CMTWWHDMZJRBEV-HNNXBMFYSA-N 2 0 276.424 2.918 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)CC1(C)C ZINC000623512632 353661066 /nfs/dbraw/zinc/66/10/66/353661066.db2.gz OZMYKSQCTOLFRA-NWDGAFQWSA-N 2 0 260.372 2.884 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)CC2CCCC2)CC1(C)C ZINC000623513514 353661252 /nfs/dbraw/zinc/66/12/52/353661252.db2.gz CDMCHRZPDJEHAC-JKSUJKDBSA-N 2 0 282.472 2.638 20 0 CFADRP COc1cc(CNC[C@H](C)C[NH+](C)C)ccc1Cl ZINC000623530133 353664705 /nfs/dbraw/zinc/66/47/05/353664705.db2.gz ODYNNEXTBGWEDC-NSHDSACASA-N 2 0 270.804 2.636 20 0 CFADRP COc1ccc(CNC[C@H](C)C[NH+](C)C)cc1OC1CC1 ZINC000623530207 353665088 /nfs/dbraw/zinc/66/50/88/353665088.db2.gz QEGXQKAUCSNJNH-ZDUSSCGKSA-N 2 0 292.423 2.524 20 0 CFADRP Cc1cccc2c1OC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C2 ZINC000623528926 353665177 /nfs/dbraw/zinc/66/51/77/353665177.db2.gz LVRBAGHTZQOLDX-CVEARBPZSA-N 2 0 288.435 2.761 20 0 CFADRP CCC(CC)(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623531109 353665438 /nfs/dbraw/zinc/66/54/38/353665438.db2.gz HYLHLNOFBWDPEE-CYBMUJFWSA-N 2 0 256.434 2.654 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]CCCCC[NH+]2CCCC2)CC1(C)C ZINC000623534012 353666187 /nfs/dbraw/zinc/66/61/87/353666187.db2.gz SQRWJNRVRNIMEW-MRXNPFEDSA-N 3 0 281.488 2.715 20 0 CFADRP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(F)F)CC2)CC1(C)C ZINC000623542237 353668406 /nfs/dbraw/zinc/66/84/06/353668406.db2.gz SJUJMROSWUEKNH-OTTFEQOBSA-N 2 0 290.398 2.999 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccco2)CC1(C)C ZINC000623573334 353675361 /nfs/dbraw/zinc/67/53/61/353675361.db2.gz FHHIFMJFONQVSM-ZDUSSCGKSA-N 2 0 250.386 2.675 20 0 CFADRP C[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+]2C2CCCCC2)CC1(C)C ZINC000623615003 353687028 /nfs/dbraw/zinc/68/70/28/353687028.db2.gz KSSDSNZEAARIAW-WBVHZDCISA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CC[C@@H](NC[C@H]2CC[NH+]2C2CCCCC2)CC1(C)C ZINC000623615001 353687084 /nfs/dbraw/zinc/68/70/84/353687084.db2.gz KSSDSNZEAARIAW-NVXWUHKLSA-N 2 0 293.499 2.856 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000422713968 282925139 /nfs/dbraw/zinc/92/51/39/282925139.db2.gz QJAMUWOGXJRUEU-RBSFLKMASA-N 2 0 256.434 2.689 20 0 CFADRP COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623489776 353656267 /nfs/dbraw/zinc/65/62/67/353656267.db2.gz PKFGEYAHSINFBT-GJZGRUSLSA-N 2 0 294.439 2.690 20 0 CFADRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2CCC3)C1 ZINC000623657038 353698595 /nfs/dbraw/zinc/69/85/95/353698595.db2.gz IOXTXELCWRNUNL-OAHLLOKOSA-N 2 0 272.436 2.997 20 0 CFADRP C/C=C/C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623739138 353714802 /nfs/dbraw/zinc/71/48/02/353714802.db2.gz JTPBOLJDOLXJJI-NSCUHMNNSA-N 2 0 274.408 2.827 20 0 CFADRP C/C=C\C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000623739744 353715665 /nfs/dbraw/zinc/71/56/65/353715665.db2.gz FLZFAZOXRWIRDJ-ARJAWSKDSA-N 2 0 293.842 2.758 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000623834398 353735206 /nfs/dbraw/zinc/73/52/06/353735206.db2.gz XESKFJFWZXGIOQ-NHYWBVRUSA-N 2 0 291.826 2.904 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(C)sc1C ZINC000623889285 353749739 /nfs/dbraw/zinc/74/97/39/353749739.db2.gz JIGSZPRGVYRCIW-ZFWWWQNUSA-N 2 0 284.469 2.718 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000623899626 353753633 /nfs/dbraw/zinc/75/36/33/353753633.db2.gz NXTJJKQRIWCPNG-ZBFHGGJFSA-N 2 0 268.445 2.656 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623957225 353768855 /nfs/dbraw/zinc/76/88/55/353768855.db2.gz BAEPDIGWNQAILI-GFCCVEGCSA-N 2 0 279.453 2.842 20 0 CFADRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCCO1 ZINC000623852880 353740314 /nfs/dbraw/zinc/74/03/14/353740314.db2.gz DPNMJNXJFSNACV-PMPSAXMXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCCO1 ZINC000623863973 353743497 /nfs/dbraw/zinc/74/34/97/353743497.db2.gz CNMQQIZGOMCHOS-TWMKSMIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCCO1 ZINC000623863975 353743810 /nfs/dbraw/zinc/74/38/10/353743810.db2.gz CNMQQIZGOMCHOS-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121552 353810474 /nfs/dbraw/zinc/81/04/74/353810474.db2.gz YAYLEJAOYMNXFT-MSOLQXFVSA-N 2 0 290.451 2.566 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)C1(C)C ZINC000624122056 353811985 /nfs/dbraw/zinc/81/19/85/353811985.db2.gz IXABSEAKRGIURK-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)C1CCCC1 ZINC000624123482 353812920 /nfs/dbraw/zinc/81/29/20/353812920.db2.gz MXBWVOOEPNXFDB-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000624189147 353829960 /nfs/dbraw/zinc/82/99/60/353829960.db2.gz CSIDOJDKIYXWKY-UHFFFAOYSA-N 2 0 290.455 2.508 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(O)ccc1Cl)C2 ZINC000625450607 354050260 /nfs/dbraw/zinc/05/02/60/354050260.db2.gz QXEDGORLGURATH-MRXNPFEDSA-N 2 0 294.826 2.963 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423545803 283007150 /nfs/dbraw/zinc/00/71/50/283007150.db2.gz PITNYKFPQBUAMN-TZDHZFECSA-N 2 0 274.383 2.791 20 0 CFADRP Fc1cccc2c1CC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423467863 283020425 /nfs/dbraw/zinc/02/04/25/283020425.db2.gz BSIBXJDIKXUZLV-BLLLJJGKSA-N 2 0 262.372 2.935 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3n[nH]cc32)[C@H](C)C1 ZINC000628183339 354464389 /nfs/dbraw/zinc/46/43/89/354464389.db2.gz YAOMGYNOXNYGQY-DYVFJYSZSA-N 2 0 286.423 2.725 20 0 CFADRP Cc1ccc([C@H](C)C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000628203560 354475181 /nfs/dbraw/zinc/47/51/81/354475181.db2.gz NCERFYLKAJLFCG-QGZVFWFLSA-N 2 0 290.451 2.801 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000628253379 354504786 /nfs/dbraw/zinc/50/47/86/354504786.db2.gz GDHFLHYXZWPJNL-FPCVCCKLSA-N 2 0 250.430 2.696 20 0 CFADRP C[N@H+](C[C@@]1(C)CCCS1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000628273144 354514186 /nfs/dbraw/zinc/51/41/86/354514186.db2.gz KCODPUBUFPXLRC-IZGVIRRGSA-N 2 0 268.470 2.829 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000628425905 354585711 /nfs/dbraw/zinc/58/57/11/354585711.db2.gz YVNACVUAUSEATO-GDBMZVCRSA-N 2 0 276.424 2.645 20 0 CFADRP CCC1(N2CCOCC2)CC[NH+](Cc2ccoc2C)CC1 ZINC000628476362 354599611 /nfs/dbraw/zinc/59/96/11/354599611.db2.gz ZFZLKWAQZVTBDG-UHFFFAOYSA-N 2 0 292.423 2.665 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000629529979 354832874 /nfs/dbraw/zinc/83/28/74/354832874.db2.gz RXDFDCIEKKSVFL-KRWDZBQOSA-N 2 0 290.407 2.956 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629528970 354832931 /nfs/dbraw/zinc/83/29/31/354832931.db2.gz OESHXGSJMFUHED-NSHDSACASA-N 2 0 290.329 2.592 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C[C@H](C)CCc1ccccc1 ZINC000629389274 354799024 /nfs/dbraw/zinc/79/90/24/354799024.db2.gz UFJCQQCYNRVJBB-HYVNUMGLSA-N 2 0 260.425 2.985 20 0 CFADRP CCC[C@@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629387072 354799088 /nfs/dbraw/zinc/79/90/88/354799088.db2.gz BLPOLFMDJBRMHL-INIZCTEOSA-N 2 0 276.424 2.668 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000629389808 354800021 /nfs/dbraw/zinc/80/00/21/354800021.db2.gz AHZHWQYUGKRXFK-DZJNRPSUSA-N 2 0 293.499 2.760 20 0 CFADRP CCC(C)(C)C1CCC([NH2+]CCOCC[NH2+]C)CC1 ZINC000629392511 354801321 /nfs/dbraw/zinc/80/13/21/354801321.db2.gz PZQFKWOWQVODHI-UHFFFAOYSA-N 2 0 270.461 2.807 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000629399641 354802836 /nfs/dbraw/zinc/80/28/36/354802836.db2.gz JFZLQEFUQABCJD-CVEARBPZSA-N 2 0 296.842 2.931 20 0 CFADRP [NH3+]CCCOCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000629399173 354803277 /nfs/dbraw/zinc/80/32/77/354803277.db2.gz NLHJUFFCUXACQM-UHFFFAOYSA-N 2 0 290.432 2.870 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000629530644 354833676 /nfs/dbraw/zinc/83/36/76/354833676.db2.gz MJMJKTKAIFQBAV-OAHLLOKOSA-N 2 0 294.464 2.666 20 0 CFADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000629530695 354833817 /nfs/dbraw/zinc/83/38/17/354833817.db2.gz NNVDIJSCKDAIQS-MRXNPFEDSA-N 2 0 276.424 2.506 20 0 CFADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000629530749 354834019 /nfs/dbraw/zinc/83/40/19/354834019.db2.gz PYDPIKFGFZSTTQ-MRXNPFEDSA-N 2 0 261.413 2.684 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629517353 354825744 /nfs/dbraw/zinc/82/57/44/354825744.db2.gz MWCLWNQXFBHZOR-GHMZBOCLSA-N 2 0 264.335 2.982 20 0 CFADRP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000629519015 354826545 /nfs/dbraw/zinc/82/65/45/354826545.db2.gz AHRYATVKZIHSQR-ZIAGYGMSSA-N 2 0 275.440 2.937 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@H](C)C1CCCCC1 ZINC000629522148 354827946 /nfs/dbraw/zinc/82/79/46/354827946.db2.gz WFNITLOLGDAOGY-UONOGXRCSA-N 2 0 268.445 2.689 20 0 CFADRP [NH3+]C1(C[NH2+][C@H]2CCCCC23CCCC3)CCOCC1 ZINC000629521496 354827967 /nfs/dbraw/zinc/82/79/67/354827967.db2.gz RHIYZIITVIBKQX-AWEZNQCLSA-N 2 0 266.429 2.587 20 0 CFADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc2c(c1)CCCC2 ZINC000629522352 354828431 /nfs/dbraw/zinc/82/84/31/354828431.db2.gz XZMQUBSXEQDRAN-AWEZNQCLSA-N 2 0 288.435 2.724 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1C ZINC000629524378 354829578 /nfs/dbraw/zinc/82/95/78/354829578.db2.gz PYYCKXYAIAWLEE-HNNXBMFYSA-N 2 0 276.424 2.770 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000629526816 354830811 /nfs/dbraw/zinc/83/08/11/354830811.db2.gz AJWUNOPHKQRYLM-KGYLQXTDSA-N 2 0 260.372 2.931 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000629528397 354831659 /nfs/dbraw/zinc/83/16/59/354831659.db2.gz YGRZDCOZMYNKIF-MHVXSEJMSA-N 2 0 280.456 2.987 20 0 CFADRP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000629527981 354832134 /nfs/dbraw/zinc/83/21/34/354832134.db2.gz LFMZQSPIDNCCOX-DLBZAZTESA-N 2 0 258.409 2.664 20 0 CFADRP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(Cl)cc1 ZINC000629528896 354832633 /nfs/dbraw/zinc/83/26/33/354832633.db2.gz MMZMQJSLWBXNQM-AWEZNQCLSA-N 2 0 270.804 2.617 20 0 CFADRP CCC[C@H]([NH2+]CCOCC[NH2+]C)C1CCCCC1 ZINC000629528984 354832658 /nfs/dbraw/zinc/83/26/58/354832658.db2.gz OMCDHOSPABXIMD-HNNXBMFYSA-N 2 0 256.434 2.561 20 0 CFADRP CC(C)C[C@H](C[NH2+]CC1([NH3+])CCOCC1)c1ccccc1 ZINC000629654647 354879627 /nfs/dbraw/zinc/87/96/27/354879627.db2.gz OWYWIOMXQWDHDM-QGZVFWFLSA-N 2 0 290.451 2.914 20 0 CFADRP CC[C@H]1C[N@H+](CC2=Cc3ccccc3OC2)CC[C@@H]1[NH3+] ZINC000629651879 354877238 /nfs/dbraw/zinc/87/72/38/354877238.db2.gz NAIBVIVDJBAFEO-HOCLYGCPSA-N 2 0 272.392 2.522 20 0 CFADRP CC(C)CO[C@@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1(C)C ZINC000629534543 354834978 /nfs/dbraw/zinc/83/49/78/354834978.db2.gz AEPPASFFNWIOKI-ZQDZILKHSA-N 2 0 268.445 2.556 20 0 CFADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629534561 354835102 /nfs/dbraw/zinc/83/51/02/354835102.db2.gz AKRNFAXZZUWPFM-MWTISTBLSA-N 2 0 272.436 2.971 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]2C[C@H]2C1 ZINC000629535579 354835550 /nfs/dbraw/zinc/83/55/50/354835550.db2.gz FATRBZQWKSUCEP-VRXFMZDNSA-N 2 0 262.441 2.933 20 0 CFADRP C[C@@H]1CC[C@H]([NH2+]CCOCCC[NH3+])c2ccccc21 ZINC000629535808 354835630 /nfs/dbraw/zinc/83/56/30/354835630.db2.gz FJGGTYIUCBTZLQ-CJNGLKHVSA-N 2 0 262.397 2.580 20 0 CFADRP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629537093 354836714 /nfs/dbraw/zinc/83/67/14/354836714.db2.gz IBLXBHGBRSVGCO-STQMWFEESA-N 2 0 284.831 2.787 20 0 CFADRP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000629537090 354837082 /nfs/dbraw/zinc/83/70/82/354837082.db2.gz IBLXBHGBRSVGCO-QWHCGFSZSA-N 2 0 284.831 2.787 20 0 CFADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629538989 354837786 /nfs/dbraw/zinc/83/77/86/354837786.db2.gz NRISMFZCDKLZGK-LLVKDONJSA-N 2 0 299.484 2.765 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000629652746 354878095 /nfs/dbraw/zinc/87/80/95/354878095.db2.gz DOMBMCJAMPDSBM-ZDUSSCGKSA-N 2 0 284.831 2.611 20 0 CFADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000629540912 354838680 /nfs/dbraw/zinc/83/86/80/354838680.db2.gz XVFYZGWGJBOVSN-MRXNPFEDSA-N 2 0 287.407 2.500 20 0 CFADRP Cc1cc(C)c([C@H](C)[NH2+]CCOCCC[NH3+])cc1C ZINC000629541097 354838709 /nfs/dbraw/zinc/83/87/09/354838709.db2.gz RCTKPMQOWGNJBE-HNNXBMFYSA-N 2 0 264.413 2.628 20 0 CFADRP C[C@@H](N[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000629553000 354845755 /nfs/dbraw/zinc/84/57/55/354845755.db2.gz DVQKHCYFOCPPHO-JTNHKYCSSA-N 2 0 252.789 2.784 20 0 CFADRP Clc1cccc([C@H]2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)c1 ZINC000629553021 354845823 /nfs/dbraw/zinc/84/58/23/354845823.db2.gz FYPDVAFRBWUWLI-NWANDNLSSA-N 2 0 264.800 2.928 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629555893 354846737 /nfs/dbraw/zinc/84/67/37/354846737.db2.gz HZKABMAMNFJENV-GFCCVEGCSA-N 2 0 298.377 2.688 20 0 CFADRP CCC(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559245 354847815 /nfs/dbraw/zinc/84/78/15/354847815.db2.gz ALJVNGKNNSQZJS-VXGBXAGGSA-N 2 0 266.351 2.882 20 0 CFADRP CCCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563598 354847959 /nfs/dbraw/zinc/84/79/59/354847959.db2.gz GWPLYBOZTDSJAH-QWRGUYRKSA-N 2 0 252.324 2.636 20 0 CFADRP Cc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565111 354848104 /nfs/dbraw/zinc/84/81/04/354848104.db2.gz JIBRGUWZUKTFPP-ZIAGYGMSSA-N 2 0 286.341 2.954 20 0 CFADRP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCOCC[NH3+] ZINC000629577521 354848784 /nfs/dbraw/zinc/84/87/84/354848784.db2.gz BRZBTQJRLYSJSA-JTQLQIEISA-N 2 0 291.222 2.962 20 0 CFADRP C[NH2+]CCOCC[N@H+](C)CCSc1ccc(C)c(C)c1 ZINC000629572070 354849272 /nfs/dbraw/zinc/84/92/72/354849272.db2.gz VPRVRFXLOXUDRF-UHFFFAOYSA-N 2 0 296.480 2.563 20 0 CFADRP CC(C)(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000629591896 354853059 /nfs/dbraw/zinc/85/30/59/354853059.db2.gz RIXVUINAABMROG-QGZVFWFLSA-N 2 0 294.483 2.903 20 0 CFADRP CCCC1CCC(C[N@H+](C)CCOCC[NH3+])CC1 ZINC000629664808 354883654 /nfs/dbraw/zinc/88/36/54/354883654.db2.gz RRDHOIJKODBZQM-UHFFFAOYSA-N 2 0 256.434 2.500 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)cc1F ZINC000629673088 354886282 /nfs/dbraw/zinc/88/62/82/354886282.db2.gz VZEPDPVMYBQZKA-RHSMWYFYSA-N 2 0 292.398 2.623 20 0 CFADRP [NH3+]CC1(c2cccc(C3=CC[NH2+]CC3)c2)CCCC1 ZINC000629724124 354909078 /nfs/dbraw/zinc/90/90/78/354909078.db2.gz XTNVIFJBLVULHO-UHFFFAOYSA-N 2 0 256.393 2.834 20 0 CFADRP CC1(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000629657216 354880349 /nfs/dbraw/zinc/88/03/49/354880349.db2.gz UYPPQHDGKUWTEX-MNOVXSKESA-N 2 0 264.335 2.636 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](CC(C)C)OC)C1 ZINC000419215508 283065078 /nfs/dbraw/zinc/06/50/78/283065078.db2.gz MKMUSIILLSFFMC-CVEARBPZSA-N 2 0 270.461 2.711 20 0 CFADRP CC1(F)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000630072491 354995007 /nfs/dbraw/zinc/99/50/07/354995007.db2.gz MVYHJCZFNHANHC-UHFFFAOYSA-N 2 0 262.372 2.656 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000630074852 354998358 /nfs/dbraw/zinc/99/83/58/354998358.db2.gz BKSLMYVWQQXNHP-WCQYABFASA-N 2 0 252.789 2.675 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c(OC)c1 ZINC000271818935 191347332 /nfs/dbraw/zinc/34/73/32/191347332.db2.gz CBBGALGFILVPEJ-ZDUSSCGKSA-N 2 0 290.407 2.616 20 0 CFADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000271891496 191393001 /nfs/dbraw/zinc/39/30/01/191393001.db2.gz RZRSTRPLPORZMH-NSHDSACASA-N 2 0 266.335 2.877 20 0 CFADRP Cc1scc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1C ZINC000631068395 355274230 /nfs/dbraw/zinc/27/42/30/355274230.db2.gz PITWKGCSSVZTLY-INIZCTEOSA-N 2 0 296.480 2.691 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271864658 191376073 /nfs/dbraw/zinc/37/60/73/191376073.db2.gz LBCVDONKKXNXBI-AWEZNQCLSA-N 2 0 276.399 2.998 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000271866031 191376695 /nfs/dbraw/zinc/37/66/95/191376695.db2.gz WCENGPQZTFILRQ-UHFFFAOYSA-N 2 0 286.419 2.752 20 0 CFADRP COc1cncc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1C ZINC000631150969 355317341 /nfs/dbraw/zinc/31/73/41/355317341.db2.gz JRHIMHGFMNIXJW-UHFFFAOYSA-N 2 0 279.428 2.609 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccnn1CC1CCC1 ZINC000631150753 355317436 /nfs/dbraw/zinc/31/74/36/355317436.db2.gz IMNJIXRNHVVFPT-UHFFFAOYSA-N 2 0 292.471 2.893 20 0 CFADRP CC(=O)Nc1cccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1 ZINC000631152543 355317996 /nfs/dbraw/zinc/31/79/96/355317996.db2.gz WJYVDHDCPUAXLJ-UHFFFAOYSA-N 2 0 291.439 2.855 20 0 CFADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631086659 355284818 /nfs/dbraw/zinc/28/48/18/355284818.db2.gz ZSUBXUANXZWVTJ-UHFFFAOYSA-N 2 0 291.439 2.635 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1([C@H]2CCCCO2)CCC1 ZINC000631245443 355372362 /nfs/dbraw/zinc/37/23/62/355372362.db2.gz MCJKCNNCOSGSPD-BRWVUGGUSA-N 2 0 292.467 2.942 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000631190730 355340650 /nfs/dbraw/zinc/34/06/50/355340650.db2.gz BCZDADUVEIXAEB-MRXNPFEDSA-N 2 0 282.391 2.998 20 0 CFADRP c1cnc2c(c1)[C@H](N[C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000631569228 355492313 /nfs/dbraw/zinc/49/23/13/355492313.db2.gz KVDJPZKAGZMFNX-IXDOHACOSA-N 2 0 271.408 2.675 20 0 CFADRP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)CC[NH+](C)C ZINC000631575498 355495950 /nfs/dbraw/zinc/49/59/50/355495950.db2.gz GKRYVFBHRVKXGF-BLLLJJGKSA-N 2 0 262.397 2.612 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[NH+](C)C ZINC000631576400 355496602 /nfs/dbraw/zinc/49/66/02/355496602.db2.gz HWOLSSJBPSRLOJ-INIZCTEOSA-N 2 0 262.397 2.614 20 0 CFADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000631583073 355501874 /nfs/dbraw/zinc/50/18/74/355501874.db2.gz VRZUOIBWWSJMTL-DYVFJYSZSA-N 2 0 274.408 2.614 20 0 CFADRP c1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000631565430 355490164 /nfs/dbraw/zinc/49/01/64/355490164.db2.gz FPNUVCWOOVWYEB-SUMWQHHRSA-N 2 0 271.408 2.533 20 0 CFADRP C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631649833 355532577 /nfs/dbraw/zinc/53/25/77/355532577.db2.gz BDMFWAXAHBEXJV-RDTXWAMCSA-N 2 0 288.435 2.671 20 0 CFADRP C[C@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000631653578 355534128 /nfs/dbraw/zinc/53/41/28/355534128.db2.gz WBBWPKZQNNCIAW-RKTXRCNFSA-N 2 0 258.409 2.862 20 0 CFADRP c1cnc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000631621743 355518035 /nfs/dbraw/zinc/51/80/35/355518035.db2.gz JXHYXDFRBYFOED-SFHVURJKSA-N 2 0 285.435 2.923 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000631811005 355592996 /nfs/dbraw/zinc/59/29/96/355592996.db2.gz LDPHHHRJJALKSA-OWLYRPNTSA-N 2 0 294.483 2.923 20 0 CFADRP Cc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)n1 ZINC000631828973 355597288 /nfs/dbraw/zinc/59/72/88/355597288.db2.gz CVGSYPTXXKLHNC-YVEFUNNKSA-N 2 0 275.440 2.956 20 0 CFADRP Cc1cc(C)c(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)n1 ZINC000631828560 355597728 /nfs/dbraw/zinc/59/77/28/355597728.db2.gz SDNUJWPOUNZISZ-PEYYIBSZSA-N 2 0 275.440 2.812 20 0 CFADRP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c2ccccc2n1 ZINC000631839431 355601566 /nfs/dbraw/zinc/60/15/66/355601566.db2.gz GGTBHWBVUCSIOJ-IUODEOHRSA-N 2 0 269.392 2.570 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3O)CC2)C1 ZINC000631740829 355571739 /nfs/dbraw/zinc/57/17/39/355571739.db2.gz JQTZTLLLQUFHSU-IWCQGFGOSA-N 2 0 280.456 2.533 20 0 CFADRP CCC1(O)CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000679841072 540178231 /nfs/dbraw/zinc/17/82/31/540178231.db2.gz KGNOLYXUSQBHAE-UHFFFAOYSA-N 2 0 268.445 2.533 20 0 CFADRP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000229370765 540179609 /nfs/dbraw/zinc/17/96/09/540179609.db2.gz TWTTUNLUAXWERK-LSDHHAIUSA-N 2 0 268.445 2.783 20 0 CFADRP c1cc(CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cs1 ZINC000631891059 355617314 /nfs/dbraw/zinc/61/73/14/355617314.db2.gz VRGBFCIMEWRJLS-GJZGRUSLSA-N 2 0 264.438 2.755 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc32)[C@@H](C)C1 ZINC000247058925 540192386 /nfs/dbraw/zinc/19/23/86/540192386.db2.gz PLDWGHBCCAFUSF-LXZKKBNFSA-N 2 0 258.409 2.646 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)[C@@H](C)C1 ZINC000247058931 540192432 /nfs/dbraw/zinc/19/24/32/540192432.db2.gz PLDWGHBCCAFUSF-QRTARXTBSA-N 2 0 258.409 2.646 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000334846815 540253508 /nfs/dbraw/zinc/25/35/08/540253508.db2.gz QSHIQQLUSVXGDP-GJZGRUSLSA-N 2 0 273.355 2.733 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000261840852 283195295 /nfs/dbraw/zinc/19/52/95/283195295.db2.gz UJNCWKZBZWNNJF-BZUAXINKSA-N 2 0 280.456 2.512 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000086894739 540255453 /nfs/dbraw/zinc/25/54/53/540255453.db2.gz AMZJNNMAZSPEQG-SJORKVTESA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000086896138 540255658 /nfs/dbraw/zinc/25/56/58/540255658.db2.gz FIXQCNCIRIUJMG-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP Cc1nc(C)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)o1 ZINC000670991383 540255936 /nfs/dbraw/zinc/25/59/36/540255936.db2.gz BMZIXBIUODQGJI-UHFFFAOYSA-N 2 0 279.428 2.845 20 0 CFADRP CCC[NH+](CCC)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000449061083 283214664 /nfs/dbraw/zinc/21/46/64/283214664.db2.gz UWHOKPDFDQIOPR-KGLIPLIRSA-N 2 0 258.475 2.840 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(c3ccc(F)cc3F)CC2)C1 ZINC000568247457 290539594 /nfs/dbraw/zinc/53/95/94/290539594.db2.gz MVAOYTVIJBVYGB-STQMWFEESA-N 2 0 280.362 2.856 20 0 CFADRP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000346982260 283280284 /nfs/dbraw/zinc/28/02/84/283280284.db2.gz NSZSXRUIIVBGCD-OWCLPIDISA-N 2 0 282.472 2.902 20 0 CFADRP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000339074407 540281857 /nfs/dbraw/zinc/28/18/57/540281857.db2.gz LCPQRWFRRXGMRT-SJORKVTESA-N 2 0 296.418 2.589 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339067323 540282833 /nfs/dbraw/zinc/28/28/33/540282833.db2.gz LQCMAJZFQYVAET-SJORKVTESA-N 2 0 270.420 2.935 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339077069 540282958 /nfs/dbraw/zinc/28/29/58/540282958.db2.gz YZEXGYZOFDKWSD-IGKNDFSCSA-N 2 0 293.499 2.569 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339077068 540282975 /nfs/dbraw/zinc/28/29/75/540282975.db2.gz YZEXGYZOFDKWSD-FLXSYLCISA-N 2 0 293.499 2.569 20 0 CFADRP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067880 540283098 /nfs/dbraw/zinc/28/30/98/540283098.db2.gz NIJRSUSBUAZFKA-ZQIUZPCESA-N 2 0 286.419 2.899 20 0 CFADRP COCc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000088555200 540296759 /nfs/dbraw/zinc/29/67/59/540296759.db2.gz ZCCYWFUMSHVLQE-ROUUACIJSA-N 2 0 288.435 2.797 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)[C@H](C)O1 ZINC000294631786 199115252 /nfs/dbraw/zinc/11/52/52/199115252.db2.gz AMJDKDDDWZTQJP-HLLBOEOZSA-N 2 0 276.424 2.664 20 0 CFADRP CC1CCC([NH2+]Cc2ccncc2OCC[NH+](C)C)CC1 ZINC000342432304 540387796 /nfs/dbraw/zinc/38/77/96/540387796.db2.gz HXLSEIBTTSLEMV-UHFFFAOYSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccc1N(C)C ZINC000423345769 299279423 /nfs/dbraw/zinc/27/94/23/299279423.db2.gz ZALLRSMBCDVCRU-AWEZNQCLSA-N 2 0 275.440 2.793 20 0 CFADRP C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)C[NH+]1CCCC1 ZINC000094424395 295973939 /nfs/dbraw/zinc/97/39/39/295973939.db2.gz SECJZCSWDKHBIH-KBPBESRZSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000420298862 236605577 /nfs/dbraw/zinc/60/55/77/236605577.db2.gz IDBCNEPKDKWDJO-INMHGKMJSA-N 2 0 282.472 2.543 20 0 CFADRP Cc1cnccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000294928301 199254950 /nfs/dbraw/zinc/25/49/50/199254950.db2.gz BWGKSZYQDCIFGV-UHFFFAOYSA-N 2 0 261.413 2.789 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000456286414 535432023 /nfs/dbraw/zinc/43/20/23/535432023.db2.gz VKIKOISKSCLKNB-JKSUJKDBSA-N 2 0 289.423 2.514 20 0 CFADRP C[C@H]1C[C@H]1[N@@H+]1CCN(CC[C@@H]2CCCC[NH+]2C)C[C@@H](C)C1 ZINC000429018388 291157534 /nfs/dbraw/zinc/15/75/34/291157534.db2.gz GZKDSMLLHKTARK-VSZNYVQBSA-N 2 0 293.499 2.523 20 0 CFADRP CCC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000229260283 283398856 /nfs/dbraw/zinc/39/88/56/283398856.db2.gz LMHDGEBBYWOHCR-HNNXBMFYSA-N 2 0 274.408 2.974 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCCCC1 ZINC000423179904 283407003 /nfs/dbraw/zinc/40/70/03/283407003.db2.gz MYAVLSUROPGXTG-ARFHVFGLSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+]CC1CCC([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000423172522 283426294 /nfs/dbraw/zinc/42/62/94/283426294.db2.gz UBILFOGVGRQDRG-LVBITLCTSA-N 2 0 250.430 2.920 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879788 299289328 /nfs/dbraw/zinc/28/93/28/299289328.db2.gz LESDPNCVAWXFSZ-ULQDDVLXSA-N 3 0 281.488 2.761 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816277 283430685 /nfs/dbraw/zinc/43/06/85/283430685.db2.gz FWBPCEVGDIQOQD-OAHLLOKOSA-N 2 0 257.381 2.874 20 0 CFADRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879786 299289181 /nfs/dbraw/zinc/28/91/81/299289181.db2.gz LESDPNCVAWXFSZ-IKGGRYGDSA-N 3 0 281.488 2.761 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CS1 ZINC000094470690 540450564 /nfs/dbraw/zinc/45/05/64/540450564.db2.gz KOOYLTDTRMDVTQ-ZBFHGGJFSA-N 2 0 278.465 2.992 20 0 CFADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1C ZINC000422558511 237104664 /nfs/dbraw/zinc/10/46/64/237104664.db2.gz AZWGNDCGACVHTJ-DZKIICNBSA-N 2 0 276.424 2.809 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000296756271 199987679 /nfs/dbraw/zinc/98/76/79/199987679.db2.gz DCAOIBPEDJGCDA-LLVKDONJSA-N 2 0 284.350 2.938 20 0 CFADRP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)C2C[NH2+]C2)c1C ZINC000422739405 237152261 /nfs/dbraw/zinc/15/22/61/237152261.db2.gz LDFBNRDZWMQERS-ZDUSSCGKSA-N 2 0 271.408 2.791 20 0 CFADRP C[C@@H]([NH2+]CCCCCOC1CCCCC1)C1C[NH2+]C1 ZINC000422702103 237122370 /nfs/dbraw/zinc/12/23/70/237122370.db2.gz DFGXKWXABXSZKF-CQSZACIVSA-N 2 0 268.445 2.704 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000422709613 237127554 /nfs/dbraw/zinc/12/75/54/237127554.db2.gz KUHVVEAFBJDSSM-ZWKOTPCHSA-N 2 0 290.451 2.743 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Cl)cc1 ZINC000422720743 237135631 /nfs/dbraw/zinc/13/56/31/237135631.db2.gz SZXINNXWUCJZQH-DOMZBBRYSA-N 2 0 282.815 2.826 20 0 CFADRP Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)oc1C ZINC000669698473 540513922 /nfs/dbraw/zinc/51/39/22/540513922.db2.gz VLKVMMHOWIXASW-CQSZACIVSA-N 2 0 293.455 2.573 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000422725112 237139415 /nfs/dbraw/zinc/13/94/15/237139415.db2.gz XLQLSORUUFCASS-CRAIPNDOSA-N 2 0 293.499 2.761 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000251464095 540536973 /nfs/dbraw/zinc/53/69/73/540536973.db2.gz AYAJGCHTZFGFNC-ARFHVFGLSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422769014 237185594 /nfs/dbraw/zinc/18/55/94/237185594.db2.gz ZWOIUYVOEFWLII-RCCFBDPRSA-N 2 0 288.435 2.884 20 0 CFADRP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422769010 237186268 /nfs/dbraw/zinc/18/62/68/237186268.db2.gz ZWOIUYVOEFWLII-KURKYZTESA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000422752368 237165085 /nfs/dbraw/zinc/16/50/85/237165085.db2.gz CSSZPFNQJVDBRG-FQUUOJAGSA-N 2 0 256.434 2.543 20 0 CFADRP C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000422753638 237168081 /nfs/dbraw/zinc/16/80/81/237168081.db2.gz GEAYNMUSZSJSBN-FHERZECASA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H]([NH2+]CCCSc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422757444 237171977 /nfs/dbraw/zinc/17/19/77/237171977.db2.gz MUMWHPFSEMOMJR-DZGCQCFKSA-N 2 0 264.438 2.899 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000422757242 237172671 /nfs/dbraw/zinc/17/26/71/237172671.db2.gz HPMFZYNDXNVYMF-OKZBNKHCSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422758756 237172889 /nfs/dbraw/zinc/17/28/89/237172889.db2.gz JWQDUXYRUHFNLI-ZFWWWQNUSA-N 2 0 279.403 2.512 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000422760225 237175082 /nfs/dbraw/zinc/17/50/82/237175082.db2.gz GNYJUBBBRMIJII-STQMWFEESA-N 2 0 270.829 2.902 20 0 CFADRP Fc1ccccc1CSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422763492 237179463 /nfs/dbraw/zinc/17/94/63/237179463.db2.gz JBSUVOXLJOBYHL-YIONKMFJSA-N 2 0 294.439 2.932 20 0 CFADRP COc1ccc(O[C@H](C)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422796251 237218375 /nfs/dbraw/zinc/21/83/75/237218375.db2.gz XWYNSGCXBFASPQ-COXVUDFISA-N 2 0 292.423 2.712 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000422798315 237220244 /nfs/dbraw/zinc/22/02/44/237220244.db2.gz QPCMJQLABNCJPL-JRPNMDOOSA-N 2 0 268.351 2.785 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000422797364 237222038 /nfs/dbraw/zinc/22/20/38/237222038.db2.gz MFMRDXBBPYRHMA-FPCVCCKLSA-N 2 0 268.445 2.689 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000422776319 237194887 /nfs/dbraw/zinc/19/48/87/237194887.db2.gz ABGUYTDPYPWERF-JTNHKYCSSA-N 2 0 270.804 2.743 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])Oc1ccccc1F ZINC000422778419 237194948 /nfs/dbraw/zinc/19/49/48/237194948.db2.gz ANVKTQFRRKXBTK-YUELXQCFSA-N 2 0 280.387 2.843 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000422783965 237204929 /nfs/dbraw/zinc/20/49/29/237204929.db2.gz LQCZNLQIBBMJOS-HUUCEWRRSA-N 2 0 287.432 2.822 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Cc1cccs1 ZINC000422784965 237205882 /nfs/dbraw/zinc/20/58/82/237205882.db2.gz QKBODUPOYMLPRH-YDHLFZDLSA-N 2 0 266.454 2.904 20 0 CFADRP Cc1nccn1CCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422786337 237209489 /nfs/dbraw/zinc/20/94/89/237209489.db2.gz QFFGZMXNMFZYRY-DOTOQJQBSA-N 2 0 292.471 2.872 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000422788964 237211195 /nfs/dbraw/zinc/21/11/95/237211195.db2.gz WHCQAOJTZHZAKO-JZXOWHBKSA-N 2 0 289.467 2.757 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)Oc1ccc(F)cc1 ZINC000422793372 237214155 /nfs/dbraw/zinc/21/41/55/237214155.db2.gz SALBKKVMJCDLHQ-ZENOOKHLSA-N 2 0 280.387 2.571 20 0 CFADRP C[C@H](OCCC[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422792189 237215473 /nfs/dbraw/zinc/21/54/73/237215473.db2.gz VRXMQHBSCRGBLQ-BPUTZDHNSA-N 2 0 262.397 2.624 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000422793216 237215946 /nfs/dbraw/zinc/21/59/46/237215946.db2.gz WRHNSGNKTLMMPU-NVXWUHKLSA-N 2 0 294.439 2.736 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCc1cc(F)ccc1F ZINC000422817302 237245282 /nfs/dbraw/zinc/24/52/82/237245282.db2.gz CUOLJFIWLOSWBV-GJZGRUSLSA-N 2 0 268.351 2.757 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000422818025 237246988 /nfs/dbraw/zinc/24/69/88/237246988.db2.gz JHJDQNQJXHYCHL-UONOGXRCSA-N 2 0 284.350 2.593 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000666746536 540576650 /nfs/dbraw/zinc/57/66/50/540576650.db2.gz YMJKNSOINBFFJV-NVXWUHKLSA-N 2 0 269.392 2.842 20 0 CFADRP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422830822 237256732 /nfs/dbraw/zinc/25/67/32/237256732.db2.gz DCSPNGIQFGHBOK-HLLBOEOZSA-N 2 0 275.440 2.913 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCOC1CCCC1 ZINC000422831463 237257338 /nfs/dbraw/zinc/25/73/38/237257338.db2.gz TTYXJCNTPKMAHI-YJBOKZPZSA-N 2 0 290.451 2.884 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422812984 237241482 /nfs/dbraw/zinc/24/14/82/237241482.db2.gz YTYGJQKMNTWDBE-FRFSOERESA-N 2 0 258.409 2.837 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(C)(C)c1ccccc1F ZINC000422849307 237274287 /nfs/dbraw/zinc/27/42/87/237274287.db2.gz LLCNYHGTDDLQKN-NWDGAFQWSA-N 2 0 252.377 2.819 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000666952321 540596011 /nfs/dbraw/zinc/59/60/11/540596011.db2.gz QSSRZEMJEQQPFW-AWEZNQCLSA-N 2 0 280.799 2.580 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953783 540596697 /nfs/dbraw/zinc/59/66/97/540596697.db2.gz HWZSQTBQJJYIOX-MNOVXSKESA-N 2 0 264.335 2.839 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954120 540597166 /nfs/dbraw/zinc/59/71/66/540597166.db2.gz QHBNHFWPGPQVDJ-CZUORRHYSA-N 2 0 276.399 2.879 20 0 CFADRP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+]1CCCC[C@H]1C ZINC000422867654 237289392 /nfs/dbraw/zinc/28/93/92/237289392.db2.gz SSMJKZWYAHRSCC-DTTOXWODSA-N 2 0 287.451 2.984 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840666 237265966 /nfs/dbraw/zinc/26/59/66/237265966.db2.gz UIUVTJXFUPQGCY-ZNMIVQPWSA-N 2 0 295.496 2.676 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000422844607 237268337 /nfs/dbraw/zinc/26/83/37/237268337.db2.gz MIODWPUETXOVAT-SMDDNHRTSA-N 2 0 298.427 2.706 20 0 CFADRP C[C@@]1(C[NH2+]Cc2cccc3cnccc32)CCC[NH2+]C1 ZINC000666843144 540586258 /nfs/dbraw/zinc/58/62/58/540586258.db2.gz BKVHIGNPIMPRGL-QGZVFWFLSA-N 2 0 269.392 2.714 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)sc1C ZINC000422887998 237308541 /nfs/dbraw/zinc/30/85/41/237308541.db2.gz BVOKFEVASJXOKX-KFWWJZLASA-N 2 0 293.480 2.813 20 0 CFADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000422888506 237310013 /nfs/dbraw/zinc/31/00/13/237310013.db2.gz NBKQYXUUSBGDGC-STQMWFEESA-N 2 0 297.402 2.656 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000422892139 237312962 /nfs/dbraw/zinc/31/29/62/237312962.db2.gz XNYFPEVZIGNUQK-GDBMZVCRSA-N 2 0 264.413 2.708 20 0 CFADRP CN(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000422892508 237314146 /nfs/dbraw/zinc/31/41/46/237314146.db2.gz NDUMSLGEKHNPOE-BDVYOWHSSA-N 2 0 281.488 2.604 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422898261 237320897 /nfs/dbraw/zinc/32/08/97/237320897.db2.gz LOBMKLMFZFLPRO-HUUCEWRRSA-N 2 0 264.413 2.869 20 0 CFADRP Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422899100 237321371 /nfs/dbraw/zinc/32/13/71/237321371.db2.gz NTWONYHKMIGJPJ-JKSUJKDBSA-N 2 0 262.397 2.623 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(Sc2ccccc2)CC1 ZINC000422903255 237324619 /nfs/dbraw/zinc/32/46/19/237324619.db2.gz FGYPBPYXLHBNAD-CQSZACIVSA-N 2 0 294.464 2.655 20 0 CFADRP C[NH+](C)CCOc1cccc(N[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906707 237329134 /nfs/dbraw/zinc/32/91/34/237329134.db2.gz AHGZFGVEXMEWJL-DLBZAZTESA-N 2 0 291.439 2.699 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422904292 237329676 /nfs/dbraw/zinc/32/96/76/237329676.db2.gz GRZRQZXWRTZQQS-VXGBXAGGSA-N 2 0 281.469 2.670 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CSC2(C)C)cc1 ZINC000669999361 540634912 /nfs/dbraw/zinc/63/49/12/540634912.db2.gz QHUVDKXMFRXJCA-HNNXBMFYSA-N 2 0 294.464 2.611 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000422938287 237368109 /nfs/dbraw/zinc/36/81/09/237368109.db2.gz DNLNAWQLZUVBRL-AWEZNQCLSA-N 2 0 282.815 2.673 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C2CC2)CC1 ZINC000422939340 237368347 /nfs/dbraw/zinc/36/83/47/237368347.db2.gz RCLMSMVPCPYNTA-BBRMVZONSA-N 2 0 258.409 2.725 20 0 CFADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCc1ccc(Cl)cc1 ZINC000422938701 237368810 /nfs/dbraw/zinc/36/88/10/237368810.db2.gz DZWZEXPEMUVADY-APHBMKBZSA-N 2 0 296.842 2.615 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCc1cccc(Cl)c1 ZINC000422939847 237369795 /nfs/dbraw/zinc/36/97/95/237369795.db2.gz GCINYLRJYFXUTI-RCBQFDQVSA-N 2 0 296.842 2.615 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422945297 237374523 /nfs/dbraw/zinc/37/45/23/237374523.db2.gz NKRJSQHZKPAEMU-DOTOQJQBSA-N 2 0 276.424 2.789 20 0 CFADRP C[C@H]1SCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682156896 540639660 /nfs/dbraw/zinc/63/96/60/540639660.db2.gz QYRQXIBZLVUSBV-CZUORRHYSA-N 2 0 294.464 2.611 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422943517 237373636 /nfs/dbraw/zinc/37/36/36/237373636.db2.gz KOTIVMMZIDMWMK-GXTWGEPZSA-N 2 0 284.350 2.548 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1cc2ccccc2o1 ZINC000422915754 237340589 /nfs/dbraw/zinc/34/05/89/237340589.db2.gz BUUFLZXQDARVQU-UKRRQHHQSA-N 2 0 258.365 2.692 20 0 CFADRP CO[C@@H](C[NH2+][C@@H](C)CCC[NH3+])c1cccc(Cl)c1 ZINC000422918629 237345201 /nfs/dbraw/zinc/34/52/01/237345201.db2.gz HXDKCKXAXGACJC-FZMZJTMJSA-N 2 0 270.804 2.745 20 0 CFADRP c1c2ccccc2oc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422918782 237348746 /nfs/dbraw/zinc/34/87/46/237348746.db2.gz IUUAWQOZSBMEEK-YIONKMFJSA-N 2 0 270.376 2.848 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(OC(F)F)c1 ZINC000422950572 237383046 /nfs/dbraw/zinc/38/30/46/237383046.db2.gz YJXZJZHCGRRDSC-VHSXEESVSA-N 2 0 258.312 2.503 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000422954641 237388113 /nfs/dbraw/zinc/38/81/13/237388113.db2.gz JMGHWJUXGQYAIP-FZMZJTMJSA-N 2 0 270.779 2.739 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000423047960 237480531 /nfs/dbraw/zinc/48/05/31/237480531.db2.gz HXCWOPWAUCOEET-QAETUUGQSA-N 2 0 274.408 2.624 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423083716 237511792 /nfs/dbraw/zinc/51/17/92/237511792.db2.gz GLGNLFBCPLMSGD-ZBFHGGJFSA-N 2 0 280.387 2.547 20 0 CFADRP C[NH+](C)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297613947 200243053 /nfs/dbraw/zinc/24/30/53/200243053.db2.gz KVNQULBAEMZCLY-SFHVURJKSA-N 2 0 287.451 2.506 20 0 CFADRP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1O ZINC000297663822 200255551 /nfs/dbraw/zinc/25/55/51/200255551.db2.gz OAONYFPGJRBNJF-CABCVRRESA-N 2 0 292.423 2.753 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403706017 540673405 /nfs/dbraw/zinc/67/34/05/540673405.db2.gz DQADQBKFLPRWGD-OAGGEKHMSA-N 2 0 250.430 2.744 20 0 CFADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccsc1 ZINC000297762993 200277502 /nfs/dbraw/zinc/27/75/02/200277502.db2.gz OWGKPKPBJFJOPI-GDBMZVCRSA-N 2 0 295.496 2.672 20 0 CFADRP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000298224805 200365711 /nfs/dbraw/zinc/36/57/11/200365711.db2.gz UUATUTRKAYHQPX-DLBZAZTESA-N 2 0 276.424 2.574 20 0 CFADRP CCCN1CC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000380944231 540692202 /nfs/dbraw/zinc/69/22/02/540692202.db2.gz BZMPTPHLJXVKAU-ZBFHGGJFSA-N 2 0 276.424 2.700 20 0 CFADRP [NH3+]CCC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000161975610 540701572 /nfs/dbraw/zinc/70/15/72/540701572.db2.gz SBSGLSFMCSZGHI-OAHLLOKOSA-N 2 0 274.408 2.614 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162069608 540702393 /nfs/dbraw/zinc/70/23/93/540702393.db2.gz VCDHZOBSKGMIRG-CABCVRRESA-N 2 0 274.408 2.614 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)C1CCC1 ZINC000178186746 189095896 /nfs/dbraw/zinc/09/58/96/189095896.db2.gz GNXLBALVCUQGKT-AWEZNQCLSA-N 2 0 276.424 2.905 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000211144715 540770361 /nfs/dbraw/zinc/77/03/61/540770361.db2.gz TZXDSKWECLPEBO-MLGOLLRUSA-N 2 0 278.827 2.739 20 0 CFADRP CCCOc1ncccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000154735719 540786356 /nfs/dbraw/zinc/78/63/56/540786356.db2.gz HZNJTRRDWJXUOH-AWEZNQCLSA-N 2 0 291.439 2.690 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCC1 ZINC000422847848 296020639 /nfs/dbraw/zinc/02/06/39/296020639.db2.gz SFXCTAXXZJFKRU-CHWSQXEVSA-N 2 0 264.388 2.963 20 0 CFADRP c1ccc2[nH]c(C3CC[NH+](CC4CC[NH2+]CC4)CC3)nc2c1 ZINC000178978443 189158828 /nfs/dbraw/zinc/15/88/28/189158828.db2.gz ZIQBDUGXKJKPGO-UHFFFAOYSA-N 2 0 298.434 2.742 20 0 CFADRP c1[nH]nc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc12 ZINC000423098994 238199234 /nfs/dbraw/zinc/19/92/34/238199234.db2.gz DRAVWMQDZRJLHT-ZACQAIPSSA-N 2 0 298.434 2.616 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423097044 238199383 /nfs/dbraw/zinc/19/93/83/238199383.db2.gz ACYPWLMCEDIBTL-SWLSCSKDSA-N 2 0 283.847 2.660 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000423100882 238199634 /nfs/dbraw/zinc/19/96/34/238199634.db2.gz CCOCWUYBNREYIU-NSLUBLRVSA-N 2 0 298.377 2.980 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccccc1F ZINC000423098219 238199858 /nfs/dbraw/zinc/19/98/58/238199858.db2.gz RSMFJBLRJUHICF-HOCLYGCPSA-N 2 0 264.388 2.865 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000414912204 540830618 /nfs/dbraw/zinc/83/06/18/540830618.db2.gz HMTGIUBJUSHWDX-QEJZJMRPSA-N 2 0 292.423 2.581 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000414925773 540831385 /nfs/dbraw/zinc/83/13/85/540831385.db2.gz MCLBOAIIKUVFKS-NEPJUHHUSA-N 2 0 256.752 2.839 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000414925193 540831415 /nfs/dbraw/zinc/83/14/15/540831415.db2.gz LKIDQOBNZAJAAS-LSDHHAIUSA-N 2 0 298.390 2.628 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000423133830 238221558 /nfs/dbraw/zinc/22/15/58/238221558.db2.gz DDUMAELQIQYORK-UKRRQHHQSA-N 2 0 266.816 2.908 20 0 CFADRP [NH3+]CCC[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000415077719 540834181 /nfs/dbraw/zinc/83/41/81/540834181.db2.gz HXZXYWOHAZGJSK-MRXNPFEDSA-N 2 0 288.366 2.884 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110082 238206537 /nfs/dbraw/zinc/20/65/37/238206537.db2.gz UKMUNDIFLPXAMG-BBRMVZONSA-N 2 0 291.414 2.643 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423115308 238207504 /nfs/dbraw/zinc/20/75/04/238207504.db2.gz XTGZOXMAKBIKMU-VHSXEESVSA-N 2 0 250.308 2.579 20 0 CFADRP CSCc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000423115010 238207939 /nfs/dbraw/zinc/20/79/39/238207939.db2.gz WVIVRUGCWHIKBW-LBPRGKRZSA-N 2 0 252.427 2.767 20 0 CFADRP COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])C2)cc1F ZINC000423117290 238208941 /nfs/dbraw/zinc/20/89/41/238208941.db2.gz UQNHSEBWTOZPJC-ZMJPVWNMSA-N 2 0 280.387 2.796 20 0 CFADRP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000684370503 540837771 /nfs/dbraw/zinc/83/77/71/540837771.db2.gz WMCPOBBEZUISQU-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423139099 238226390 /nfs/dbraw/zinc/22/63/90/238226390.db2.gz KJTOGRMYPBRNMO-CABCVRRESA-N 2 0 275.440 2.917 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423139102 238226439 /nfs/dbraw/zinc/22/64/39/238226439.db2.gz KJTOGRMYPBRNMO-LSDHHAIUSA-N 2 0 275.440 2.917 20 0 CFADRP Cc1cc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000423142787 238228194 /nfs/dbraw/zinc/22/81/94/238228194.db2.gz VXHITMMZYLEVRY-VXGBXAGGSA-N 2 0 254.805 2.906 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000423143570 238228397 /nfs/dbraw/zinc/22/83/97/238228397.db2.gz XISKTUUWZGJMIO-UKRRQHHQSA-N 2 0 275.440 2.645 20 0 CFADRP CCn1ccnc1[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423157784 238241255 /nfs/dbraw/zinc/24/12/55/238241255.db2.gz VURUUYRGIKUDNC-TUKIKUTGSA-N 2 0 270.380 2.698 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(C)cc2C)CC1 ZINC000423145043 238231675 /nfs/dbraw/zinc/23/16/75/238231675.db2.gz IUAOTZGALIYUOD-INIZCTEOSA-N 2 0 290.451 2.679 20 0 CFADRP COC[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423148084 238233036 /nfs/dbraw/zinc/23/30/36/238233036.db2.gz FFLGLEIKYTVCDU-OFQRWUPVSA-N 2 0 296.842 2.787 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000423147366 238233307 /nfs/dbraw/zinc/23/33/07/238233307.db2.gz RVNJGUSPXINFHH-BLLLJJGKSA-N 2 0 298.377 2.686 20 0 CFADRP COC[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000423148082 238233526 /nfs/dbraw/zinc/23/35/26/238233526.db2.gz FFLGLEIKYTVCDU-DZKIICNBSA-N 2 0 296.842 2.787 20 0 CFADRP C[C@H](c1nc(C2([NH3+])CCCC2)no1)[C@H]([NH3+])c1ccccc1 ZINC000435910498 240367753 /nfs/dbraw/zinc/36/77/53/240367753.db2.gz XBDNTAQWQNWUCJ-AAEUAGOBSA-N 2 0 286.379 2.601 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000423132959 238223357 /nfs/dbraw/zinc/22/33/57/238223357.db2.gz PWMJLBIXIKWZGJ-NLRBGTRBSA-N 2 0 250.361 2.787 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134564 238223856 /nfs/dbraw/zinc/22/38/56/238223856.db2.gz MPZLVKXMGBSPTD-ROUUACIJSA-N 3 0 287.451 2.987 20 0 CFADRP CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000386785772 540853621 /nfs/dbraw/zinc/85/36/21/540853621.db2.gz KMGBGGQHDBCUDT-WFASDCNBSA-N 2 0 264.438 2.871 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[NH3+])c1 ZINC000423184007 238261557 /nfs/dbraw/zinc/26/15/57/238261557.db2.gz SWZDDUOAOCGMAP-SNVBAGLBSA-N 2 0 258.312 2.596 20 0 CFADRP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C12CCC2 ZINC000423165861 238247038 /nfs/dbraw/zinc/24/70/38/238247038.db2.gz BKOFAICUWNWWFO-OVYGPGRDSA-N 2 0 292.467 2.844 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423166417 238249501 /nfs/dbraw/zinc/24/95/01/238249501.db2.gz CNQVLRHYMLRVKB-IJEWVQPXSA-N 2 0 261.413 2.523 20 0 CFADRP CC1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000670270666 540851480 /nfs/dbraw/zinc/85/14/80/540851480.db2.gz ZBURVVOAULLMQN-UHFFFAOYSA-N 2 0 274.408 2.613 20 0 CFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[NH3+])CC2 ZINC000423195508 238267720 /nfs/dbraw/zinc/26/77/20/238267720.db2.gz SSSWWHKCSIUXNB-LBPRGKRZSA-N 2 0 283.213 2.683 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCCCCC1 ZINC000423200023 238272806 /nfs/dbraw/zinc/27/28/06/238272806.db2.gz LLENPMAUTJHUFD-ARFHVFGLSA-N 2 0 292.467 2.975 20 0 CFADRP c1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423209703 238278247 /nfs/dbraw/zinc/27/82/47/238278247.db2.gz JILVEWQLTGDDFZ-NVXWUHKLSA-N 2 0 258.409 2.597 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@H](C)[NH3+])cnn1-c1ccc(F)cc1 ZINC000423227356 238291475 /nfs/dbraw/zinc/29/14/75/238291475.db2.gz VJTLVIBLSVAMSA-RYUDHWBXSA-N 2 0 290.386 2.708 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cc1F ZINC000423227083 238291586 /nfs/dbraw/zinc/29/15/86/238291586.db2.gz UKUPZSYGQATCPY-VHSXEESVSA-N 2 0 256.390 2.936 20 0 CFADRP c1ccc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000166333116 540888363 /nfs/dbraw/zinc/88/83/63/540888363.db2.gz OSIROHOUQGZFCS-LSDHHAIUSA-N 2 0 298.434 2.712 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000423230688 238293700 /nfs/dbraw/zinc/29/37/00/238293700.db2.gz FBSVBXBHLIYROR-PMPSAXMXSA-N 2 0 273.424 2.758 20 0 CFADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000423230686 238294291 /nfs/dbraw/zinc/29/42/91/238294291.db2.gz FBSVBXBHLIYROR-OAGGEKHMSA-N 2 0 273.424 2.758 20 0 CFADRP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423220013 238285490 /nfs/dbraw/zinc/28/54/90/238285490.db2.gz XQKYCGSRGGZDBQ-LRDDRELGSA-N 2 0 262.372 2.866 20 0 CFADRP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@H]1CCCOC1 ZINC000423265542 238322614 /nfs/dbraw/zinc/32/26/14/238322614.db2.gz BEUXCUPCGIADEK-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP Fc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2cccnc2)cc1 ZINC000423248742 238307069 /nfs/dbraw/zinc/30/70/69/238307069.db2.gz NRZMMLZONVLMHV-KBXCAEBGSA-N 2 0 299.393 2.899 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000423246841 238307262 /nfs/dbraw/zinc/30/72/62/238307262.db2.gz KJDOWZBPEWYOTM-CRAIPNDOSA-N 2 0 272.436 2.905 20 0 CFADRP CCC[NH+]1CCC(NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000155802684 540908233 /nfs/dbraw/zinc/90/82/33/540908233.db2.gz HUMVJYOZHJTQCY-UHFFFAOYSA-N 2 0 283.504 2.959 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423254220 238311140 /nfs/dbraw/zinc/31/11/40/238311140.db2.gz XQERBPOVBXTJTD-QWRGUYRKSA-N 2 0 254.324 2.615 20 0 CFADRP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cnn1C(C)(C)C ZINC000423262072 238317663 /nfs/dbraw/zinc/31/76/63/238317663.db2.gz UEPQQMZDIREDEO-ZFWWWQNUSA-N 2 0 292.471 2.987 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000423265198 238320482 /nfs/dbraw/zinc/32/04/82/238320482.db2.gz ZNWVPNUZWWNRDJ-KBPBESRZSA-N 2 0 274.408 2.757 20 0 CFADRP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000389033206 540931658 /nfs/dbraw/zinc/93/16/58/540931658.db2.gz DNMWOYVQTPBHRT-HOCLYGCPSA-N 2 0 262.372 2.695 20 0 CFADRP CCC1CCC([N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000389053869 540931822 /nfs/dbraw/zinc/93/18/22/540931822.db2.gz HYJHZTPTTQQSAD-GPANFISMSA-N 2 0 270.461 2.588 20 0 CFADRP Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)oc1C ZINC000423267452 238326314 /nfs/dbraw/zinc/32/63/14/238326314.db2.gz FBTCTPSEDVRPPG-JSGCOSHPSA-N 2 0 250.386 2.937 20 0 CFADRP COc1ccccc1C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000388364444 540921557 /nfs/dbraw/zinc/92/15/57/540921557.db2.gz SRJVKXGHDFRVDN-UHFFFAOYSA-N 2 0 296.414 2.973 20 0 CFADRP Cc1ccccc1C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000423280119 238337148 /nfs/dbraw/zinc/33/71/48/238337148.db2.gz SZUHVXSYLABVAK-IAGOWNOFSA-N 2 0 260.425 2.889 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000423315412 238368507 /nfs/dbraw/zinc/36/85/07/238368507.db2.gz ARGPWZXQPWUBMQ-HOCLYGCPSA-N 2 0 274.408 2.625 20 0 CFADRP CCC[NH+]1CCC(NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000157359976 540950480 /nfs/dbraw/zinc/95/04/80/540950480.db2.gz DICZRRJBLVAAFZ-INIZCTEOSA-N 2 0 281.488 2.715 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423314410 238366765 /nfs/dbraw/zinc/36/67/65/238366765.db2.gz HBLZLPNGCVPOPO-QYHDQYMBSA-N 2 0 274.408 2.514 20 0 CFADRP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423314405 238367221 /nfs/dbraw/zinc/36/72/21/238367221.db2.gz HBJSOCPRDXLANW-MEBBXXQBSA-N 2 0 268.351 2.613 20 0 CFADRP COc1ccc([C@@H]([NH2+]CC(C)(C)[NH3+])C(C)C)cc1 ZINC000423290134 238348034 /nfs/dbraw/zinc/34/80/34/238348034.db2.gz ZDCXGSCMLRSPMJ-AWEZNQCLSA-N 2 0 250.386 2.719 20 0 CFADRP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])cc1F ZINC000423294433 238352119 /nfs/dbraw/zinc/35/21/19/238352119.db2.gz BWZQOTLGTVVAMX-NXEZZACHSA-N 2 0 256.390 2.793 20 0 CFADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423290348 238352185 /nfs/dbraw/zinc/35/21/85/238352185.db2.gz ZTFDOZZNZIKSDM-RYUDHWBXSA-N 2 0 250.386 2.514 20 0 CFADRP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])oc21 ZINC000423298003 238356112 /nfs/dbraw/zinc/35/61/12/238356112.db2.gz MRVLIKWQFPDZNB-WDEREUQCSA-N 2 0 262.353 2.687 20 0 CFADRP CCCC[C@H](CC)CC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000356082864 540941631 /nfs/dbraw/zinc/94/16/31/540941631.db2.gz PSPPPKAIAFTVEM-HNNXBMFYSA-N 2 0 270.461 2.639 20 0 CFADRP c1ccc(CC[C@H]2CCC[C@@H]2[NH2+]CC2C[NH2+]C2)cc1 ZINC000423301934 238359269 /nfs/dbraw/zinc/35/92/69/238359269.db2.gz ISIGXGCIKBRMFE-SJORKVTESA-N 2 0 258.409 2.597 20 0 CFADRP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H](C)C[NH3+])CC2 ZINC000423310186 238363325 /nfs/dbraw/zinc/36/33/25/238363325.db2.gz RHDSQLWXBDDRPB-ZANVPECISA-N 2 0 297.240 2.929 20 0 CFADRP c1ccc([C@H]2CCC[C@H]2[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423334880 238385544 /nfs/dbraw/zinc/38/55/44/238385544.db2.gz GCPVZRMCTNYHBJ-IAGOWNOFSA-N 2 0 256.393 2.832 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCCOCc2ccccc2)C1 ZINC000390589189 540978525 /nfs/dbraw/zinc/97/85/25/540978525.db2.gz OPELHJUBCQBXGA-SJORKVTESA-N 2 0 276.424 2.843 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c(F)c1 ZINC000423317455 238368795 /nfs/dbraw/zinc/36/87/95/238368795.db2.gz BLKFSSGXPKTUQF-LBPRGKRZSA-N 2 0 280.387 2.875 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC[NH+](C)CC1 ZINC000390699147 540981448 /nfs/dbraw/zinc/98/14/48/540981448.db2.gz SMYRLSQFTXQUDV-YPMHNXCESA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC[NH+](C)CC1 ZINC000390699142 540981461 /nfs/dbraw/zinc/98/14/61/540981461.db2.gz SMYRLSQFTXQUDV-AAEUAGOBSA-N 2 0 260.372 2.742 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158115166 540967108 /nfs/dbraw/zinc/96/71/08/540967108.db2.gz ZFRUGRVNYLLBQJ-RHSMWYFYSA-N 2 0 258.409 2.914 20 0 CFADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC[NH3+] ZINC000423327086 238377402 /nfs/dbraw/zinc/37/74/02/238377402.db2.gz MSSJTBSETKROKN-IAQYHMDHSA-N 2 0 250.361 2.778 20 0 CFADRP c1ccc(C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423340952 238390155 /nfs/dbraw/zinc/39/01/55/238390155.db2.gz JRJFJXZCIWQUHK-QGZVFWFLSA-N 2 0 256.393 2.517 20 0 CFADRP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000180544803 189261495 /nfs/dbraw/zinc/26/14/95/189261495.db2.gz IBFHZIZQKISHQA-GOEBONIOSA-N 2 0 276.424 2.700 20 0 CFADRP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423449699 238463752 /nfs/dbraw/zinc/46/37/52/238463752.db2.gz GPZRYNAOVTUMNP-BQGCOEIASA-N 2 0 276.424 2.904 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423449955 238464779 /nfs/dbraw/zinc/46/47/79/238464779.db2.gz GVVGTXAUIZCYAR-NHYWBVRUSA-N 2 0 250.361 2.994 20 0 CFADRP Cc1noc(C2CCC([NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)CC2)n1 ZINC000423464692 238472229 /nfs/dbraw/zinc/47/22/29/238472229.db2.gz GXKCRBODZRAUTI-JLVJUDLZSA-N 2 0 292.427 2.511 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423480396 238483057 /nfs/dbraw/zinc/48/30/57/238483057.db2.gz WAERJCVDOYKGEX-SRVKXCTJSA-N 2 0 268.426 2.925 20 0 CFADRP FCCC[C@H]1CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423546972 238524862 /nfs/dbraw/zinc/52/48/62/238524862.db2.gz ZUMIASUDGBRWRT-CABCVRRESA-N 2 0 254.393 2.804 20 0 CFADRP FC(F)(F)c1ccc(CCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000674006177 541062801 /nfs/dbraw/zinc/06/28/01/541062801.db2.gz NNNBNSIUOBGFMN-ZIAGYGMSSA-N 2 0 298.352 2.789 20 0 CFADRP CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000671724761 541058734 /nfs/dbraw/zinc/05/87/34/541058734.db2.gz RDVNBBVRTBMZOE-XYPWUTKMSA-N 2 0 289.423 2.537 20 0 CFADRP CC(C)C[C@H]([NH3+])CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000666620202 541122244 /nfs/dbraw/zinc/12/22/44/541122244.db2.gz DGZCWPJUGGFAAX-SFHVURJKSA-N 2 0 295.515 2.948 20 0 CFADRP c1cc2cnccc2c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000666762098 541140675 /nfs/dbraw/zinc/14/06/75/541140675.db2.gz SDCNRJAFSZYWEK-XYPWUTKMSA-N 2 0 267.376 2.607 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000666770418 541142473 /nfs/dbraw/zinc/14/24/73/541142473.db2.gz ZLDWMGOLBPPICR-KBAYOESNSA-N 2 0 287.451 2.554 20 0 CFADRP CC[C@H](C)Oc1cc(C[NH2+]CCC[NH2+]C)ccc1OC ZINC000666805868 541146200 /nfs/dbraw/zinc/14/62/00/541146200.db2.gz ZJLUYSHACSGFFF-ZDUSSCGKSA-N 2 0 280.412 2.572 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666826155 541148434 /nfs/dbraw/zinc/14/84/34/541148434.db2.gz OUIWPXBNWJULIO-JTQLQIEISA-N 2 0 263.772 2.573 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000666857686 541152532 /nfs/dbraw/zinc/15/25/32/541152532.db2.gz FEFSSTGAJPOFPT-CYBMUJFWSA-N 2 0 252.789 2.880 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCC[NH2+]CC2)cc1F ZINC000666857829 541152928 /nfs/dbraw/zinc/15/29/28/541152928.db2.gz LCWVIBCEVOTVHE-HIFRSBDPSA-N 2 0 294.414 2.745 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2ccnn2C)c1 ZINC000666857725 541153131 /nfs/dbraw/zinc/15/31/31/541153131.db2.gz GWDQYDZNQZZQLP-MRXNPFEDSA-N 2 0 298.434 2.627 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858139 541153416 /nfs/dbraw/zinc/15/34/16/541153416.db2.gz ZOFVTBBTQRAGKF-DLBZAZTESA-N 2 0 294.414 2.505 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccc(C[NH3+])cc1 ZINC000666864080 541154435 /nfs/dbraw/zinc/15/44/35/541154435.db2.gz UGJWAVFIUHWNQY-CJNGLKHVSA-N 2 0 261.413 2.868 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)CCCC2 ZINC000666937632 541163821 /nfs/dbraw/zinc/16/38/21/541163821.db2.gz JLRGKVOHPCEUQS-LLVKDONJSA-N 2 0 267.442 2.629 20 0 CFADRP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950763 541165300 /nfs/dbraw/zinc/16/53/00/541165300.db2.gz FFCOHLJVOMSQHQ-CYBMUJFWSA-N 2 0 284.325 2.937 20 0 CFADRP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952235 541165864 /nfs/dbraw/zinc/16/58/64/541165864.db2.gz LTLOSXBAZMNQCO-MRXNPFEDSA-N 2 0 256.393 2.796 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666952335 541165980 /nfs/dbraw/zinc/16/59/80/541165980.db2.gz RUXDMMZDKZWTPD-OYADATRGSA-N 2 0 260.356 2.571 20 0 CFADRP c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952429 541166070 /nfs/dbraw/zinc/16/60/70/541166070.db2.gz WCFFJFWGZYYXJO-HNNXBMFYSA-N 2 0 283.375 2.573 20 0 CFADRP Fc1ccc(/C=C\C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000666954317 541166468 /nfs/dbraw/zinc/16/64/68/541166468.db2.gz UNXBZTDFZLXUML-DJYNDVHFSA-N 2 0 278.346 2.710 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)C2 ZINC000666954184 541166653 /nfs/dbraw/zinc/16/66/53/541166653.db2.gz RGCBGYJLEAFBIJ-HUUCEWRRSA-N 2 0 276.811 2.539 20 0 CFADRP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC23CC[NH2+]CC3)C1 ZINC000666953716 541166657 /nfs/dbraw/zinc/16/66/57/541166657.db2.gz GDKHQMFTAMWHBF-KFWWJZLASA-N 2 0 250.430 2.935 20 0 CFADRP CC(C)(C)c1cnc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000666955447 541166841 /nfs/dbraw/zinc/16/68/41/541166841.db2.gz LBGUWPGCZJZDFZ-LLVKDONJSA-N 2 0 279.453 2.672 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666955414 541166953 /nfs/dbraw/zinc/16/69/53/541166953.db2.gz HYUXTLPOSNDSSM-HRCADAONSA-N 2 0 256.393 2.522 20 0 CFADRP COc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1F ZINC000666957598 541166967 /nfs/dbraw/zinc/16/69/67/541166967.db2.gz MVFOGQSMJIGWHU-JOCQHMNTSA-N 2 0 280.387 2.689 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000666954701 541167144 /nfs/dbraw/zinc/16/71/44/541167144.db2.gz ZKDWNSMTLGDPSI-GOEBONIOSA-N 2 0 258.409 2.597 20 0 CFADRP CCn1c(CN[C@H]2CC[NH2+]C3(CCC3)C2)nc2ccccc21 ZINC000666998471 541172399 /nfs/dbraw/zinc/17/23/99/541172399.db2.gz VWYKMNFYSTWGKF-AWEZNQCLSA-N 2 0 298.434 2.821 20 0 CFADRP c1ccc(OCCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427123724 239284266 /nfs/dbraw/zinc/28/42/66/239284266.db2.gz ZBWCOALOPPVUFO-DOTOQJQBSA-N 2 0 274.408 2.529 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1CN(Cc1ncc(-c3ccccc3)o1)C2 ZINC000319580400 541268409 /nfs/dbraw/zinc/26/84/09/541268409.db2.gz IHUAMYXVCCFJCI-YJBOKZPZSA-N 2 0 297.402 2.902 20 0 CFADRP CCc1cccc2cc(CN3C[C@H]4C[NH2+]C[C@H]4C3)oc21 ZINC000667712860 541296772 /nfs/dbraw/zinc/29/67/72/541296772.db2.gz RDSDAMVAXKBSNN-GASCZTMLSA-N 2 0 270.376 2.646 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667880162 541333864 /nfs/dbraw/zinc/33/38/64/541333864.db2.gz KEQQRTMGZHBQQO-PMPSAXMXSA-N 2 0 250.430 2.887 20 0 CFADRP CN(CCC[NH+]1CCCC1)Cc1c(C2CCC2)cnn1C ZINC000668100602 541381983 /nfs/dbraw/zinc/38/19/83/541381983.db2.gz RPDCGYFIYFHVBC-UHFFFAOYSA-N 2 0 290.455 2.605 20 0 CFADRP C[C@@H](CSCC[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000433025279 240080279 /nfs/dbraw/zinc/08/02/79/240080279.db2.gz JIFRPXFBIOGBDE-AWEZNQCLSA-N 2 0 266.454 2.802 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CC(C)(C)C2)(N2CCCCC2)CC1 ZINC000433292458 240139467 /nfs/dbraw/zinc/13/94/67/240139467.db2.gz XEWUWNYJRVWNSQ-UHFFFAOYSA-N 2 0 293.499 2.715 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000434757604 240267204 /nfs/dbraw/zinc/26/72/04/240267204.db2.gz GYTKGUXQHBDTES-HUUCEWRRSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[C@@H]([NH3+])c2ccccc2)n1 ZINC000435906584 240369321 /nfs/dbraw/zinc/36/93/21/240369321.db2.gz LBSMRPXGZXLYLF-KWCYVHTRSA-N 2 0 288.395 2.919 20 0 CFADRP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[C@H]([NH3+])c2ccccc2)n1 ZINC000435906586 240369429 /nfs/dbraw/zinc/36/94/29/240369429.db2.gz LBSMRPXGZXLYLF-XBFCOCLRSA-N 2 0 288.395 2.919 20 0 CFADRP c1csc(C[N@@H+](CC2CCC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435689254 240339439 /nfs/dbraw/zinc/33/94/39/240339439.db2.gz YGNGPRXGIYPSOW-CQSZACIVSA-N 2 0 291.464 2.887 20 0 CFADRP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435731147 240343845 /nfs/dbraw/zinc/34/38/45/240343845.db2.gz IMVPWJOGSTYCEV-MZGVZZPPSA-N 2 0 262.372 2.611 20 0 CFADRP CCc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000442871034 241010253 /nfs/dbraw/zinc/01/02/53/241010253.db2.gz LIKJOQSRADMGCU-CQSZACIVSA-N 2 0 293.455 2.519 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000442898005 241017991 /nfs/dbraw/zinc/01/79/91/241017991.db2.gz GRZSULYECRZGSI-CYBMUJFWSA-N 2 0 288.395 2.539 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443056540 241033414 /nfs/dbraw/zinc/03/34/14/241033414.db2.gz CWUIICXMQRYMFY-CQSZACIVSA-N 2 0 294.464 2.848 20 0 CFADRP CCc1cc(NC[C@H](C)[NH+](C)C)c2ccccc2[nH+]1 ZINC000443442101 241063326 /nfs/dbraw/zinc/06/33/26/241063326.db2.gz GTXJPBHTEWKMGG-LBPRGKRZSA-N 2 0 257.381 2.581 20 0 CFADRP c1ccc2c(NCC3CC[NH+](C4CC4)CC3)cc[nH+]c2c1 ZINC000444868191 241198935 /nfs/dbraw/zinc/19/89/35/241198935.db2.gz BSIDVCGIMVMIQA-UHFFFAOYSA-N 2 0 281.403 2.943 20 0 CFADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000447590952 241389203 /nfs/dbraw/zinc/38/92/03/241389203.db2.gz BDLBCSBDHNWMIC-GFCCVEGCSA-N 2 0 299.484 2.804 20 0 CFADRP CCCC[C@@H]1CCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447601375 241391205 /nfs/dbraw/zinc/39/12/05/241391205.db2.gz POEMGXICTPKVCH-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccc2cc([C@H](C)[NH2+]CCOCC[NH+](C)C)oc2c1 ZINC000447598930 241392534 /nfs/dbraw/zinc/39/25/34/241392534.db2.gz IUSAPDFUXZHNBJ-AWEZNQCLSA-N 2 0 290.407 2.970 20 0 CFADRP C[C@@H](CCC1CCCCC1)[NH2+]CCOCC[NH+](C)C ZINC000447602629 241393017 /nfs/dbraw/zinc/39/30/17/241393017.db2.gz TVZBUIAYWNLKMH-HNNXBMFYSA-N 2 0 270.461 2.903 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccncc1F ZINC000449220456 241774660 /nfs/dbraw/zinc/77/46/60/241774660.db2.gz QKVGFICTVSMRLA-ZDUSSCGKSA-N 2 0 267.392 2.821 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000449528611 242007747 /nfs/dbraw/zinc/00/77/47/242007747.db2.gz QOGSLGYXBLOTOX-FQEVSTJZSA-N 2 0 296.480 2.634 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674302554 541556976 /nfs/dbraw/zinc/55/69/76/541556976.db2.gz NZUHJLMZKHHFPG-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CS1 ZINC000449561304 242032970 /nfs/dbraw/zinc/03/29/70/242032970.db2.gz ULYLUXPABOSXLV-IWNKAIHXSA-N 2 0 268.470 2.731 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCCC2)CN1C1CC1 ZINC000449735010 242124739 /nfs/dbraw/zinc/12/47/39/242124739.db2.gz FOCQDQMVFWCAQL-ZIAGYGMSSA-N 2 0 280.456 2.533 20 0 CFADRP CCc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc[nH+]1 ZINC000450325008 242357380 /nfs/dbraw/zinc/35/73/80/242357380.db2.gz RWEAOYOVCZIRKG-MRXNPFEDSA-N 2 0 259.397 2.709 20 0 CFADRP CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450324312 242357865 /nfs/dbraw/zinc/35/78/65/242357865.db2.gz OACUEPSCMSZCTL-IAGOWNOFSA-N 2 0 282.472 2.591 20 0 CFADRP C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CCC[NH2+]C1 ZINC000422927308 296113001 /nfs/dbraw/zinc/11/30/01/296113001.db2.gz GBFXPJINDDMHBM-KJGVXDFPSA-N 2 0 262.441 2.789 20 0 CFADRP C[C@@H]([NH2+]C1CCC(C(F)F)CC1)[C@H]1CCC[NH2+]C1 ZINC000423171887 296113704 /nfs/dbraw/zinc/11/37/04/296113704.db2.gz QKURXZKTZMXBKV-IGJPJIBNSA-N 2 0 260.372 2.788 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000422992606 299382579 /nfs/dbraw/zinc/38/25/79/299382579.db2.gz RPDBTTIDQMYDBQ-DZJNRPSUSA-N 2 0 288.435 2.712 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)C1(C)CC1 ZINC000423531758 296118301 /nfs/dbraw/zinc/11/83/01/296118301.db2.gz TZWVINCDRBVYKO-VQGSXZNQSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000269036524 296121647 /nfs/dbraw/zinc/12/16/47/296121647.db2.gz SOZXPNYLSMIITQ-CYBMUJFWSA-N 2 0 281.419 2.884 20 0 CFADRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccn1 ZINC000245843698 296122360 /nfs/dbraw/zinc/12/23/60/296122360.db2.gz BTDYBEXNZFTJKN-BZUAXINKSA-N 2 0 291.439 2.622 20 0 CFADRP CC(C)CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000675756962 541688796 /nfs/dbraw/zinc/68/87/96/541688796.db2.gz RKCODJAZRGILQZ-HNNXBMFYSA-N 2 0 284.488 2.884 20 0 CFADRP C[C@@H]([NH2+]CCOc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000675772259 541691198 /nfs/dbraw/zinc/69/11/98/541691198.db2.gz WSAJDGPQHWVYNB-CYBMUJFWSA-N 2 0 280.387 2.524 20 0 CFADRP CCC[NH+]1CCC(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000675769761 541691205 /nfs/dbraw/zinc/69/12/05/541691205.db2.gz KRRBZXAAJHMYRR-CVEARBPZSA-N 2 0 281.488 2.571 20 0 CFADRP Cc1c(C)c(C)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1C ZINC000675885590 541701744 /nfs/dbraw/zinc/70/17/44/541701744.db2.gz ZLLWYKSECPRDCR-IRXDYDNUSA-N 2 0 272.436 2.880 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)CC[NH+](C)C ZINC000453079113 243391923 /nfs/dbraw/zinc/39/19/23/243391923.db2.gz CTDBBFBTPXEXQS-HUUCEWRRSA-N 2 0 263.429 2.723 20 0 CFADRP C[C@H](Cc1cnccn1)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000453084481 243392931 /nfs/dbraw/zinc/39/29/31/243392931.db2.gz MAFXCRRHHPCISI-MRXNPFEDSA-N 2 0 298.434 2.519 20 0 CFADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449224462 296125289 /nfs/dbraw/zinc/12/52/89/296125289.db2.gz LOSQIZZKGMQIJU-NUJGCVRESA-N 2 0 295.515 2.817 20 0 CFADRP c1cc(C2CCCC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675895476 541704052 /nfs/dbraw/zinc/70/40/52/541704052.db2.gz LRLDKZQNBJQJKV-HDICACEKSA-N 2 0 270.420 2.995 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000226344296 189772874 /nfs/dbraw/zinc/77/28/74/189772874.db2.gz KJJVLDBTEHOWGA-YESZJQIVSA-N 3 0 293.499 2.619 20 0 CFADRP CC(C)CCC[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000276150242 193226072 /nfs/dbraw/zinc/22/60/72/193226072.db2.gz DUEGLUFQNFBVSE-GOSISDBHSA-N 2 0 290.451 2.779 20 0 CFADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1csc(Cl)c1 ZINC000276404907 193317560 /nfs/dbraw/zinc/31/75/60/193317560.db2.gz TXDACRIFZPCJFJ-SNVBAGLBSA-N 2 0 288.844 2.509 20 0 CFADRP C1=CC[C@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000676901869 541804369 /nfs/dbraw/zinc/80/43/69/541804369.db2.gz LJESOISBVBDTDI-DOTOQJQBSA-N 2 0 278.440 2.576 20 0 CFADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000676901983 541804400 /nfs/dbraw/zinc/80/44/00/541804400.db2.gz KCLMIFNEWODMPN-QGZVFWFLSA-N 2 0 295.515 2.820 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCOCC2CCCC2)CC1 ZINC000459353109 245155073 /nfs/dbraw/zinc/15/50/73/245155073.db2.gz ICFNTTQRULGVMX-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000459636198 245253476 /nfs/dbraw/zinc/25/34/76/245253476.db2.gz JTWRQTHGWSDLBZ-RDJZCZTQSA-N 2 0 275.440 2.867 20 0 CFADRP c1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n(C2CCCC2)n1 ZINC000459657789 245259632 /nfs/dbraw/zinc/25/96/32/245259632.db2.gz JHVNUIXOLACHLP-UHFFFAOYSA-N 2 0 295.390 2.936 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CCO1 ZINC000459658131 245260558 /nfs/dbraw/zinc/26/05/58/245260558.db2.gz JRJRDGMLJHJPCG-ZBFHGGJFSA-N 2 0 273.380 2.628 20 0 CFADRP Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000459728597 245288957 /nfs/dbraw/zinc/28/89/57/245288957.db2.gz ILEKQTGQVDAKCH-AWEZNQCLSA-N 2 0 264.388 2.956 20 0 CFADRP CCCC[C@H](COC)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459781840 245322064 /nfs/dbraw/zinc/32/20/64/245322064.db2.gz MQOBNSSDQQZRQS-HUUCEWRRSA-N 2 0 256.434 2.513 20 0 CFADRP FC1(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423122587 294710873 /nfs/dbraw/zinc/71/08/73/294710873.db2.gz KBYKBPAQYOQMQI-MGPQQGTHSA-N 2 0 254.393 2.779 20 0 CFADRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH+](C)C ZINC000019959264 372216027 /nfs/dbraw/zinc/21/60/27/372216027.db2.gz RGKNRDLACJAGNG-MRXNPFEDSA-N 2 0 262.397 2.614 20 0 CFADRP CCC[NH+]1CCC([NH2+]CCCN(C)c2ccccc2)CC1 ZINC000019906509 372206853 /nfs/dbraw/zinc/20/68/53/372206853.db2.gz NAKHTFYTGFKAEW-UHFFFAOYSA-N 2 0 289.467 2.977 20 0 CFADRP Fc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036961205 372616374 /nfs/dbraw/zinc/61/63/74/372616374.db2.gz PHOQMLISAARFOI-UHFFFAOYSA-N 2 0 285.366 2.979 20 0 CFADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000037042956 372641425 /nfs/dbraw/zinc/64/14/25/372641425.db2.gz IOYRPKPJUFKXMI-HNNXBMFYSA-N 2 0 277.412 2.594 20 0 CFADRP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037140242 372654111 /nfs/dbraw/zinc/65/41/11/372654111.db2.gz UHVRWKWBKLZAJD-LNRIEFBSSA-N 2 0 288.435 2.928 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000037644528 372681391 /nfs/dbraw/zinc/68/13/91/372681391.db2.gz PNCFRVOFOIQNCM-GJZGRUSLSA-N 2 0 276.424 2.558 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649111 372683424 /nfs/dbraw/zinc/68/34/24/372683424.db2.gz ZFBSOTBKFYXJCR-DYVFJYSZSA-N 2 0 256.393 2.748 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037648870 372685186 /nfs/dbraw/zinc/68/51/86/372685186.db2.gz HZMKPAHGZPDJJW-CABCVRRESA-N 2 0 288.435 2.700 20 0 CFADRP C[NH2+]C[C@H]1CCCN([C@H](C)c2ccc(F)c(F)c2)C1 ZINC000040592126 372784163 /nfs/dbraw/zinc/78/41/63/372784163.db2.gz LNYSGNNBQKPJDE-VXGBXAGGSA-N 2 0 268.351 2.957 20 0 CFADRP Cc1ncc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000040997594 372802335 /nfs/dbraw/zinc/80/23/35/372802335.db2.gz FXHBLWXCJFHBPO-UHFFFAOYSA-N 2 0 288.420 2.605 20 0 CFADRP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000047892373 373127768 /nfs/dbraw/zinc/12/77/68/373127768.db2.gz ZQGIWSUWISZAEI-HNNXBMFYSA-N 2 0 258.409 2.877 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000048436440 373183126 /nfs/dbraw/zinc/18/31/26/373183126.db2.gz NXLXKNAATOTHGI-UHFFFAOYSA-N 2 0 262.397 2.528 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000050225271 373366062 /nfs/dbraw/zinc/36/60/62/373366062.db2.gz HZYJCUGMRBPVMO-MISXGVKJSA-N 2 0 252.427 2.875 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000051693722 373405716 /nfs/dbraw/zinc/40/57/16/373405716.db2.gz GVPYLNZTUFJSGV-IYXRBSQSSA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000051693724 373405900 /nfs/dbraw/zinc/40/59/00/373405900.db2.gz GVPYLNZTUFJSGV-HSBZDZAISA-N 2 0 262.397 2.924 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccc1 ZINC000052046824 373433134 /nfs/dbraw/zinc/43/31/34/373433134.db2.gz XQZNTJHGXNZNNQ-CQSZACIVSA-N 2 0 274.412 2.887 20 0 CFADRP C[C@@H](C[NH2+]Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000057993906 373620666 /nfs/dbraw/zinc/62/06/66/373620666.db2.gz XUDZACKMDSTNQV-ZDUSSCGKSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000057993907 373621199 /nfs/dbraw/zinc/62/11/99/373621199.db2.gz XUDZACKMDSTNQV-CYBMUJFWSA-N 2 0 250.361 2.647 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717883 373703350 /nfs/dbraw/zinc/70/33/50/373703350.db2.gz FVVCTEYNYOMLFA-XHBSWPGZSA-N 2 0 282.378 2.826 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000061627079 373722903 /nfs/dbraw/zinc/72/29/03/373722903.db2.gz MDCZJCSHFHCQHN-LBPRGKRZSA-N 2 0 272.314 2.747 20 0 CFADRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000061627080 373723696 /nfs/dbraw/zinc/72/36/96/373723696.db2.gz MDCZJCSHFHCQHN-GFCCVEGCSA-N 2 0 272.314 2.747 20 0 CFADRP Fc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197680 373795781 /nfs/dbraw/zinc/79/57/81/373795781.db2.gz ZHLNTYLKVBTMFU-INIZCTEOSA-N 2 0 262.372 2.790 20 0 CFADRP COc1ccc(C)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200986 373797157 /nfs/dbraw/zinc/79/71/57/373797157.db2.gz VEHYZXJELJRQKH-QGZVFWFLSA-N 2 0 288.435 2.968 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(OC)n1 ZINC000070093185 374126193 /nfs/dbraw/zinc/12/61/93/374126193.db2.gz ATBOGMCDCADRNU-AWEZNQCLSA-N 2 0 279.428 2.690 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149979 374129704 /nfs/dbraw/zinc/12/97/04/374129704.db2.gz ISWPGXZDKVXTRB-OAHLLOKOSA-N 2 0 262.397 2.577 20 0 CFADRP CC[C@H]1C[N@H+](CC)CCN1CC[NH+](C)Cc1ccccc1 ZINC000451746316 383697279 /nfs/dbraw/zinc/69/72/79/383697279.db2.gz ZCWBNBMELUZNSZ-SFHVURJKSA-N 2 0 289.467 2.535 20 0 CFADRP FC(F)[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000677734588 541898717 /nfs/dbraw/zinc/89/87/17/541898717.db2.gz XTEXPFWWFOILPJ-JZIZGNRHSA-N 2 0 294.336 2.717 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000070170966 374135768 /nfs/dbraw/zinc/13/57/68/374135768.db2.gz YAEVPRFIDONLQB-GFCCVEGCSA-N 2 0 291.420 2.964 20 0 CFADRP Cc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(C)s1 ZINC000070169429 374135897 /nfs/dbraw/zinc/13/58/97/374135897.db2.gz JYFXOIDXUYNLLM-CYBMUJFWSA-N 2 0 252.427 2.926 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000070171501 374137429 /nfs/dbraw/zinc/13/74/29/374137429.db2.gz HFJAXRFJWVSJLC-HIFRSBDPSA-N 2 0 262.397 2.563 20 0 CFADRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000070189070 374144292 /nfs/dbraw/zinc/14/42/92/374144292.db2.gz VHPUPMCRPWJPQQ-UHFFFAOYSA-N 2 0 292.423 2.525 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000071161390 374212891 /nfs/dbraw/zinc/21/28/91/374212891.db2.gz QTVLJTDWWKVKQH-KURKYZTESA-N 2 0 295.515 2.817 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cnccn1 ZINC000070477314 374185226 /nfs/dbraw/zinc/18/52/26/374185226.db2.gz ZXXWRFXUSAPGSW-UONOGXRCSA-N 2 0 264.417 2.638 20 0 CFADRP C[C@H](C[NH2+]Cc1ccc(F)c2cccnc12)C[NH+](C)C ZINC000491589160 246083752 /nfs/dbraw/zinc/08/37/52/246083752.db2.gz OJBVUVCZKGISGT-GFCCVEGCSA-N 2 0 275.371 2.661 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000072858251 374295432 /nfs/dbraw/zinc/29/54/32/374295432.db2.gz AAKLBNRBMDKGKH-KRWDZBQOSA-N 2 0 298.434 2.646 20 0 CFADRP CC[C@H](C)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678140594 541960530 /nfs/dbraw/zinc/96/05/30/541960530.db2.gz JNLKWPAOXOKRQY-AWEZNQCLSA-N 2 0 264.413 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2)[C@H](C)C1 ZINC000081095447 374684775 /nfs/dbraw/zinc/68/47/75/374684775.db2.gz HMVSVCAWULLOCU-CJNGLKHVSA-N 2 0 264.388 2.988 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086402212 374804092 /nfs/dbraw/zinc/80/40/92/374804092.db2.gz PCMVEXLSLLHCOE-CHWSQXEVSA-N 2 0 283.213 2.809 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000084220145 374770375 /nfs/dbraw/zinc/77/03/75/374770375.db2.gz WBRYKEGIVWYQLV-WCBMZHEXSA-N 2 0 289.242 2.728 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCOC1CCCCC1 ZINC000089140588 374873500 /nfs/dbraw/zinc/87/35/00/374873500.db2.gz WQAGBIHXNLRICK-GDBMZVCRSA-N 2 0 268.445 2.833 20 0 CFADRP CCn1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c2ccccc21 ZINC000089175917 374884592 /nfs/dbraw/zinc/88/45/92/374884592.db2.gz IWJXGNNROUJWCZ-CQSZACIVSA-N 2 0 286.423 2.617 20 0 CFADRP COc1cccc(CCC[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000571547387 383704626 /nfs/dbraw/zinc/70/46/26/383704626.db2.gz NCIHGCQKLABVSH-DLBZAZTESA-N 2 0 288.435 2.796 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)Oc1ccccc1 ZINC000089722562 374941923 /nfs/dbraw/zinc/94/19/23/374941923.db2.gz UOLURTTWPIKDDG-JYYAWHABSA-N 2 0 276.424 2.772 20 0 CFADRP CO[C@@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc(F)cc1 ZINC000090177022 374997015 /nfs/dbraw/zinc/99/70/15/374997015.db2.gz MXJGQANHCWFMJH-OQUILHJVSA-N 2 0 294.414 2.832 20 0 CFADRP Cc1ccsc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000253136596 189985226 /nfs/dbraw/zinc/98/52/26/189985226.db2.gz SMEWRJDAXPHMHI-JOCQHMNTSA-N 2 0 252.427 2.911 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1C ZINC000090720620 375025985 /nfs/dbraw/zinc/02/59/85/375025985.db2.gz UDVHLHRTDFYFMB-CZUORRHYSA-N 2 0 284.407 2.649 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000092300280 375102305 /nfs/dbraw/zinc/10/23/05/375102305.db2.gz LPWXTMAXQGLPJD-CQSZACIVSA-N 2 0 274.408 2.627 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)CC)[C@@H](C)C1 ZINC000093075500 375182090 /nfs/dbraw/zinc/18/20/90/375182090.db2.gz LIIVQWUXCZVBJM-OWCLPIDISA-N 2 0 270.461 2.759 20 0 CFADRP C[C@@H]1CCC[C@@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000092561541 375123172 /nfs/dbraw/zinc/12/31/72/375123172.db2.gz YTVFBWOGXQORFW-HZPDHXFCSA-N 2 0 268.445 2.515 20 0 CFADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000092564736 375124520 /nfs/dbraw/zinc/12/45/20/375124520.db2.gz XEPXFDHKIORSIF-HZPDHXFCSA-N 2 0 282.472 2.903 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000092565073 375124908 /nfs/dbraw/zinc/12/49/08/375124908.db2.gz AVOGBTLHWJXYMP-RCCFBDPRSA-N 2 0 295.515 2.676 20 0 CFADRP C1CC1N1CCC([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000093489362 375253911 /nfs/dbraw/zinc/25/39/11/375253911.db2.gz MRTLKAUXROFMGF-KSZLIROESA-N 2 0 291.483 2.514 20 0 CFADRP CCCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093490936 375254652 /nfs/dbraw/zinc/25/46/52/375254652.db2.gz PFRNWAXLDNTBOP-OWCLPIDISA-N 2 0 268.445 2.704 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COCC1CC1 ZINC000093488544 375254723 /nfs/dbraw/zinc/25/47/23/375254723.db2.gz COUQOXXLNLKRLW-BBWFWOEESA-N 2 0 280.456 2.704 20 0 CFADRP C[C@@H]1CSCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678268272 541992896 /nfs/dbraw/zinc/99/28/96/541992896.db2.gz RUHXXKYDSXPICO-CQSZACIVSA-N 2 0 294.464 2.564 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)[C@H]1C ZINC000494922378 246828959 /nfs/dbraw/zinc/82/89/59/246828959.db2.gz LGLAZLWJYQBISQ-JKIFEVAISA-N 2 0 276.424 2.761 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000094901300 375389300 /nfs/dbraw/zinc/38/93/00/375389300.db2.gz ACCVLDVICJGPBV-KRWDZBQOSA-N 2 0 260.425 2.926 20 0 CFADRP Cc1cc(C)c(C[NH+]2CCC(OCCC[NH3+])CC2)c(C)c1 ZINC000094069842 375338764 /nfs/dbraw/zinc/33/87/64/375338764.db2.gz FUDNTRVEGJGIOF-UHFFFAOYSA-N 2 0 290.451 2.942 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000094826942 375382502 /nfs/dbraw/zinc/38/25/02/375382502.db2.gz AZCOGSIYPJQUOW-RYUDHWBXSA-N 2 0 268.351 2.957 20 0 CFADRP CC(C)[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000501937106 247106254 /nfs/dbraw/zinc/10/62/54/247106254.db2.gz CIBGWMBQFZKXFI-GOSISDBHSA-N 2 0 295.515 2.771 20 0 CFADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cc[nH]n2)C[N@@H+]1Cc1ccccc1 ZINC000513544785 247223139 /nfs/dbraw/zinc/22/31/39/247223139.db2.gz MIGZDKBAOVGSOV-WBVHZDCISA-N 2 0 298.434 2.800 20 0 CFADRP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513655156 247224506 /nfs/dbraw/zinc/22/45/06/247224506.db2.gz LPHQAXZIDHQOCP-BRWVUGGUSA-N 2 0 288.435 2.836 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)CC[N@@H+]1C ZINC000678597456 542048484 /nfs/dbraw/zinc/04/84/84/542048484.db2.gz HHFNKRIEGYLCPW-KFWWJZLASA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000678599268 542049465 /nfs/dbraw/zinc/04/94/65/542049465.db2.gz XMFFCSQFLSWJIM-GOEBONIOSA-N 2 0 282.472 2.902 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000678600387 542050398 /nfs/dbraw/zinc/05/03/98/542050398.db2.gz LAOLINJTHVKXCC-AWEZNQCLSA-N 2 0 276.424 2.824 20 0 CFADRP C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000678600690 542050568 /nfs/dbraw/zinc/05/05/68/542050568.db2.gz PVYOULZYEUKSFG-AAEUAGOBSA-N 2 0 260.372 2.884 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000678602719 542050952 /nfs/dbraw/zinc/05/09/52/542050952.db2.gz FMFRGPWCHHVJTL-IAGOWNOFSA-N 3 0 295.515 2.674 20 0 CFADRP COc1cccc([C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000104131619 375768891 /nfs/dbraw/zinc/76/88/91/375768891.db2.gz WEMSPKGKBUCTCX-QWHCGFSZSA-N 2 0 262.397 2.815 20 0 CFADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000104316641 375778223 /nfs/dbraw/zinc/77/82/23/375778223.db2.gz PKEMIDPJDWOZCK-MFKMUULPSA-N 2 0 279.453 2.895 20 0 CFADRP Cc1ccsc1CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000678698107 542059596 /nfs/dbraw/zinc/05/95/96/542059596.db2.gz NFRMZJMHBXMPDA-CYBMUJFWSA-N 2 0 266.454 2.919 20 0 CFADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC000678772540 542067600 /nfs/dbraw/zinc/06/76/00/542067600.db2.gz NANQUIJBBOVUKM-NVXWUHKLSA-N 2 0 282.472 2.902 20 0 CFADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000114479207 376068782 /nfs/dbraw/zinc/06/87/82/376068782.db2.gz HEUNRACDFRFNLA-WMLDXEAASA-N 2 0 258.409 2.948 20 0 CFADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842662 376320992 /nfs/dbraw/zinc/32/09/92/376320992.db2.gz JTUFRWTXSAMYLM-OAHLLOKOSA-N 2 0 294.414 2.868 20 0 CFADRP CCC[N@H+](C)C[C@H]1CCN(Cc2c(CC)noc2C)C1 ZINC000119489793 376423608 /nfs/dbraw/zinc/42/36/08/376423608.db2.gz UKBLRRRVMCKMMO-CQSZACIVSA-N 2 0 279.428 2.709 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000119584279 376441287 /nfs/dbraw/zinc/44/12/87/376441287.db2.gz OGPZWYUDFHTXSL-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000119929944 376509726 /nfs/dbraw/zinc/50/97/26/376509726.db2.gz XRXTWBNLHCEZHE-RHSMWYFYSA-N 2 0 276.424 2.795 20 0 CFADRP CC[C@H]1c2ccsc2CC[N@H+]1CCn1ccnc1 ZINC000120442916 376615106 /nfs/dbraw/zinc/61/51/06/376615106.db2.gz PLLCNFDEAUEVRV-ZDUSSCGKSA-N 2 0 261.394 2.954 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120910675 376719298 /nfs/dbraw/zinc/71/92/98/376719298.db2.gz WYAKBSGVJKRVLR-HIFRSBDPSA-N 2 0 295.496 2.591 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccs1 ZINC000120902636 376720427 /nfs/dbraw/zinc/72/04/27/376720427.db2.gz QTUVDNJNBZRBDS-LSDHHAIUSA-N 2 0 295.496 2.672 20 0 CFADRP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120992561 376740499 /nfs/dbraw/zinc/74/04/99/376740499.db2.gz YEXDXJJAQCJWLC-RDJZCZTQSA-N 2 0 289.467 2.529 20 0 CFADRP CC(C)(C)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000678941351 542096848 /nfs/dbraw/zinc/09/68/48/542096848.db2.gz OHLBCVNQGWDGKJ-UHFFFAOYSA-N 2 0 261.413 2.934 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000121405690 376826233 /nfs/dbraw/zinc/82/62/33/376826233.db2.gz GXXJPJQVNNTDEV-HOCLYGCPSA-N 2 0 276.424 2.561 20 0 CFADRP C[NH2+]CCCN(C)Cc1ccccc1OC(F)(F)F ZINC000124779882 377086783 /nfs/dbraw/zinc/08/67/83/377086783.db2.gz UWUVELGZZPGEHI-UHFFFAOYSA-N 2 0 276.302 2.627 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCOc1cc(C)cc(C)c1 ZINC000124903712 377098730 /nfs/dbraw/zinc/09/87/30/377098730.db2.gz BFTWHSOATVXNGX-UHFFFAOYSA-N 2 0 264.413 2.614 20 0 CFADRP C[NH2+]CCC[N@H+](C)CCCOc1ccc(C)c(C)c1 ZINC000124954490 377104374 /nfs/dbraw/zinc/10/43/74/377104374.db2.gz WJODAYYEQPXYSC-UHFFFAOYSA-N 2 0 264.413 2.614 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000125293168 377138345 /nfs/dbraw/zinc/13/83/45/377138345.db2.gz VVGWHINRZSKXOE-WMZOPIPTSA-N 2 0 290.451 2.708 20 0 CFADRP CC[C@H](NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cnn(C)c1 ZINC000125739536 377189254 /nfs/dbraw/zinc/18/92/54/377189254.db2.gz HHXAXQWLIVEQAY-ZBFHGGJFSA-N 2 0 278.444 2.581 20 0 CFADRP Cc1cc(C)n(CCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000126390837 377225233 /nfs/dbraw/zinc/22/52/33/377225233.db2.gz VSBQVUZQFODWHL-IAGOWNOFSA-N 2 0 284.407 2.624 20 0 CFADRP CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCOC1 ZINC000125973851 377204063 /nfs/dbraw/zinc/20/40/63/377204063.db2.gz WKYJXJSBAZEATQ-KKUMJFAQSA-N 2 0 270.461 2.758 20 0 CFADRP C[N@H+](CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000127991099 377313279 /nfs/dbraw/zinc/31/32/79/377313279.db2.gz UHAIBIASMPPMEY-SJLPKXTDSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000127224364 377271120 /nfs/dbraw/zinc/27/11/20/377271120.db2.gz PIRORTAMUXFBJE-HOCLYGCPSA-N 2 0 258.409 2.648 20 0 CFADRP CCOc1ccc(OCC[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000128451260 377337645 /nfs/dbraw/zinc/33/76/45/377337645.db2.gz RRTYHYGZFPIUCY-KRWDZBQOSA-N 2 0 294.439 2.769 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(F)cc23)CC[N@@H+]1C ZINC000127838577 377304171 /nfs/dbraw/zinc/30/41/71/377304171.db2.gz PYRJVVSFMWITPK-IUODEOHRSA-N 2 0 289.398 2.922 20 0 CFADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128990752 377370406 /nfs/dbraw/zinc/37/04/06/377370406.db2.gz KYKYNYGUORZVMJ-UONOGXRCSA-N 2 0 262.397 2.796 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2C)C1 ZINC000129032428 377375255 /nfs/dbraw/zinc/37/52/55/377375255.db2.gz NBXKELPUHWYDNE-CYBMUJFWSA-N 2 0 250.361 2.566 20 0 CFADRP CCCn1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000129214882 377400516 /nfs/dbraw/zinc/40/05/16/377400516.db2.gz FUAVPYAZKWYMBI-QGZVFWFLSA-N 2 0 290.455 2.743 20 0 CFADRP COc1ccccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129689495 377459860 /nfs/dbraw/zinc/45/98/60/377459860.db2.gz HPCNGIGMPSJTHL-RDBSUJKOSA-N 2 0 262.397 2.829 20 0 CFADRP COC1CCC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000129813238 377475776 /nfs/dbraw/zinc/47/57/76/377475776.db2.gz WXZPHPRPNYRZGR-QQFBHYJXSA-N 2 0 268.445 2.798 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000679334113 542170940 /nfs/dbraw/zinc/17/09/40/542170940.db2.gz HOQJHFGIFNRWHB-BBWFWOEESA-N 2 0 284.488 2.885 20 0 CFADRP C[C@H](CCCCO)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000679334184 542171116 /nfs/dbraw/zinc/17/11/16/542171116.db2.gz JXSWGUGBGQXILF-MRXNPFEDSA-N 2 0 270.461 2.639 20 0 CFADRP C[C@@H](CCCCO)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000679334141 542171150 /nfs/dbraw/zinc/17/11/50/542171150.db2.gz IHECIFWPWUURAA-JKSUJKDBSA-N 2 0 270.461 2.782 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000351654917 284639609 /nfs/dbraw/zinc/63/96/09/284639609.db2.gz HOUJXEILFHYLRY-HZPDHXFCSA-N 2 0 270.461 2.761 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCCCO)c1 ZINC000679340456 542172829 /nfs/dbraw/zinc/17/28/29/542172829.db2.gz SZMUBLMKBOQRPB-OAHLLOKOSA-N 2 0 278.440 2.779 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000679341155 542173504 /nfs/dbraw/zinc/17/35/04/542173504.db2.gz XATMJOGXIKMQKW-UHFFFAOYSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H](CCCCO)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000679343354 542174177 /nfs/dbraw/zinc/17/41/77/542174177.db2.gz NQCZJXBVGYMGCR-ZDUSSCGKSA-N 2 0 282.403 2.528 20 0 CFADRP CC(C)C[N@@H+]1CC[C@H](CNc2ccnc(C(C)C)n2)C1 ZINC000130745710 377603903 /nfs/dbraw/zinc/60/39/03/377603903.db2.gz SKFPXHOQVLOADK-CQSZACIVSA-N 2 0 276.428 2.990 20 0 CFADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CSC2)cc1 ZINC000679624830 542214734 /nfs/dbraw/zinc/21/47/34/542214734.db2.gz JHBMBGCFFJJAAQ-UHFFFAOYSA-N 2 0 294.464 2.612 20 0 CFADRP c1[nH]nc2cc(CN3CC[C@H](C[NH+]4CCCCC4)C3)ccc12 ZINC000131153813 377665959 /nfs/dbraw/zinc/66/59/59/377665959.db2.gz REAWVHYURRKEJX-MRXNPFEDSA-N 2 0 298.434 2.871 20 0 CFADRP CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(F)cn1 ZINC000131311537 377693133 /nfs/dbraw/zinc/69/31/33/377693133.db2.gz XAHIHGVJVZFEFZ-ZDUSSCGKSA-N 2 0 253.365 2.603 20 0 CFADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000131608550 377735568 /nfs/dbraw/zinc/73/55/68/377735568.db2.gz WAZCJLVUHUELMR-JQWIXIFHSA-N 2 0 288.313 2.754 20 0 CFADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000131424591 377709344 /nfs/dbraw/zinc/70/93/44/377709344.db2.gz HOECUBSYBGYHNF-GASCZTMLSA-N 2 0 280.456 2.750 20 0 CFADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCOCC2CC2)c2ccccc21 ZINC000131943461 377781501 /nfs/dbraw/zinc/78/15/01/377781501.db2.gz XCSGFNYYUJTTBT-JKSUJKDBSA-N 2 0 260.381 2.538 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)cc2)[C@H](C)C1 ZINC000131689054 377748199 /nfs/dbraw/zinc/74/81/99/377748199.db2.gz IOXCINKYWOWUBG-CZUORRHYSA-N 2 0 264.388 2.688 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753118 383723061 /nfs/dbraw/zinc/72/30/61/383723061.db2.gz YXSBBXGDGFWCRY-CRAIPNDOSA-N 3 0 293.499 2.619 20 0 CFADRP FC(F)(F)c1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000131990628 377788251 /nfs/dbraw/zinc/78/82/51/377788251.db2.gz GUMZGEKALWXFHJ-LBPRGKRZSA-N 2 0 272.314 2.795 20 0 CFADRP CCOC(=O)CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000132909604 377886331 /nfs/dbraw/zinc/88/63/31/377886331.db2.gz WGKBAJLOLWDFNS-UHFFFAOYSA-N 2 0 296.455 2.528 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCCCC(=O)OCC)CC1 ZINC000133036695 377897481 /nfs/dbraw/zinc/89/74/81/377897481.db2.gz CSUPNZQESRSDDL-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP CCOC(=O)CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000133173206 377910547 /nfs/dbraw/zinc/91/05/47/377910547.db2.gz FPJWWECDSVIYEF-INIZCTEOSA-N 2 0 296.455 2.670 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000134411721 378011768 /nfs/dbraw/zinc/01/17/68/378011768.db2.gz FYJJWDGMAUHBEX-FZMZJTMJSA-N 2 0 284.350 2.718 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133990977 377973406 /nfs/dbraw/zinc/97/34/06/377973406.db2.gz IFSRQCWAPAOFQC-ROUUACIJSA-N 2 0 293.499 2.596 20 0 CFADRP COc1cccc(Cl)c1C[NH2+]CCCC[NH+](C)C ZINC000134783059 378049308 /nfs/dbraw/zinc/04/93/08/378049308.db2.gz QVZKJXHFSWYCOG-UHFFFAOYSA-N 2 0 270.804 2.780 20 0 CFADRP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134935627 378066493 /nfs/dbraw/zinc/06/64/93/378066493.db2.gz VXZJUEXOOXFHSB-SJLPKXTDSA-N 2 0 294.483 2.998 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2c2ccccn2)CC[NH2+]1 ZINC000571769811 383725908 /nfs/dbraw/zinc/72/59/08/383725908.db2.gz APFVJAGAZJEWGA-FMKPAKJESA-N 2 0 259.397 2.607 20 0 CFADRP CC[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+](C)C ZINC000151355357 378320245 /nfs/dbraw/zinc/32/02/45/378320245.db2.gz UHCDXCLGQJOZJE-INIZCTEOSA-N 2 0 289.423 2.561 20 0 CFADRP CN1CCC[C@@H]1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000151431089 378326626 /nfs/dbraw/zinc/32/66/26/378326626.db2.gz ZQBLKEHZALDJRU-CYBMUJFWSA-N 2 0 273.355 2.558 20 0 CFADRP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151892577 378369561 /nfs/dbraw/zinc/36/95/61/378369561.db2.gz PXVAZCHGVDOYTA-BPQIPLTHSA-N 2 0 296.499 2.741 20 0 CFADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529544109 383728880 /nfs/dbraw/zinc/72/88/80/383728880.db2.gz WCJHXVKXHKYVJB-LLVKDONJSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000152499420 378422506 /nfs/dbraw/zinc/42/25/06/378422506.db2.gz KWUZVPSSKSJEEA-YESZJQIVSA-N 2 0 287.451 2.585 20 0 CFADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000154326477 378558480 /nfs/dbraw/zinc/55/84/80/378558480.db2.gz QEQGBNGIZWFAEP-GOSISDBHSA-N 2 0 295.515 2.963 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000154573484 378581181 /nfs/dbraw/zinc/58/11/81/378581181.db2.gz ALDUWTCEWZQLGL-SZMVWBNQSA-N 2 0 293.499 2.713 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000332303013 378744108 /nfs/dbraw/zinc/74/41/08/378744108.db2.gz LNZOYMZSVQXWSB-GJZGRUSLSA-N 2 0 268.445 2.569 20 0 CFADRP Cc1ccncc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000162720006 378927859 /nfs/dbraw/zinc/92/78/59/378927859.db2.gz ZNBHFMUTDWRIQA-GDBMZVCRSA-N 2 0 261.413 2.790 20 0 CFADRP CC[C@@H](C)[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000162845337 378938096 /nfs/dbraw/zinc/93/80/96/378938096.db2.gz RGNOTYNPPYNUAO-WCVJEAGWSA-N 2 0 270.461 2.900 20 0 CFADRP Cc1nccn1CCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000162455863 378913187 /nfs/dbraw/zinc/91/31/87/378913187.db2.gz MWBADLQSUIPUSF-CYBMUJFWSA-N 2 0 258.369 2.670 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163253924 378963002 /nfs/dbraw/zinc/96/30/02/378963002.db2.gz OMWUUWFOPSPADP-HIFRSBDPSA-N 2 0 262.397 2.643 20 0 CFADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000163381930 378968355 /nfs/dbraw/zinc/96/83/55/378968355.db2.gz QYDVCUMMMNIHTF-ZBFHGGJFSA-N 2 0 276.424 2.891 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000163452119 378973066 /nfs/dbraw/zinc/97/30/66/378973066.db2.gz FBQJJDQNKBUQPK-DYVFJYSZSA-N 2 0 258.409 2.981 20 0 CFADRP C[C@H]([NH2+]CCCNc1ccccn1)c1ccc2c(c1)OCO2 ZINC000163857991 378994233 /nfs/dbraw/zinc/99/42/33/378994233.db2.gz MGBGXKJJANXWLF-ZDUSSCGKSA-N 2 0 299.374 2.963 20 0 CFADRP CCc1noc(C)c1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335282117 379022547 /nfs/dbraw/zinc/02/25/47/379022547.db2.gz RJDGCGGORQNTTB-GFCCVEGCSA-N 2 0 277.412 2.509 20 0 CFADRP C[N@H+](Cc1ccc(Cl)c2cccnc12)C1CC([NH3+])C1 ZINC000335298938 379043472 /nfs/dbraw/zinc/04/34/72/379043472.db2.gz NMTSMEDHYHEGMS-UHFFFAOYSA-N 2 0 275.783 2.810 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)n1 ZINC000335300750 379045091 /nfs/dbraw/zinc/04/50/91/379045091.db2.gz LIVKCEJAVFCEJC-QGZVFWFLSA-N 2 0 273.424 2.662 20 0 CFADRP C[C@@H]([NH2+]CCCCNc1ccccn1)C1CC[NH+](C)CC1 ZINC000162920703 542265410 /nfs/dbraw/zinc/26/54/10/542265410.db2.gz QDZNGCZFWRMYFM-OAHLLOKOSA-N 2 0 290.455 2.594 20 0 CFADRP Fc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335372524 379181709 /nfs/dbraw/zinc/18/17/09/379181709.db2.gz VIQGAWIUPFBZSC-AWEZNQCLSA-N 2 0 262.372 2.647 20 0 CFADRP C[NH+](C)CCC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000171147097 379245911 /nfs/dbraw/zinc/24/59/11/379245911.db2.gz DHAULHOXPDYJQC-UHFFFAOYSA-N 2 0 281.831 2.899 20 0 CFADRP C[C@H](C[NH3+])N[C@H]1CCc2c1ccc(F)c2Br ZINC000335468917 379351808 /nfs/dbraw/zinc/35/18/08/379351808.db2.gz VVMUIMKKJILEMO-HQJQHLMTSA-N 2 0 287.176 2.512 20 0 CFADRP Clc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000335517399 379437890 /nfs/dbraw/zinc/43/78/90/379437890.db2.gz KAZOYGAIOMWNLZ-XHDPSFHLSA-N 2 0 264.800 2.917 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)C1CCC(F)(F)CC1 ZINC000335495015 379400144 /nfs/dbraw/zinc/40/01/44/379400144.db2.gz GWMAWKTYPUFOJM-YPMHNXCESA-N 2 0 260.372 2.932 20 0 CFADRP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000335511793 379428690 /nfs/dbraw/zinc/42/86/90/379428690.db2.gz ACFKTQDARWWNCL-CZUORRHYSA-N 2 0 259.397 2.523 20 0 CFADRP Cc1[nH+]c2cc(NC3CC[NH+](C4CC4)CC3)ccc2n1C ZINC000334565219 379539194 /nfs/dbraw/zinc/53/91/94/379539194.db2.gz WBFNCIHCJDMNTP-UHFFFAOYSA-N 2 0 284.407 2.920 20 0 CFADRP Fc1cccc2c1SCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000571908110 383738403 /nfs/dbraw/zinc/73/84/03/383738403.db2.gz DRGQRFFJZPWJFL-CQSZACIVSA-N 2 0 280.412 2.952 20 0 CFADRP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)s1 ZINC000172197812 379516047 /nfs/dbraw/zinc/51/60/47/379516047.db2.gz NHGQEXQPQIYRPK-ZDUSSCGKSA-N 2 0 252.427 2.748 20 0 CFADRP CC(C)=CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335599840 379585061 /nfs/dbraw/zinc/58/50/61/379585061.db2.gz SEQLGACAUKLTGP-NVXWUHKLSA-N 2 0 272.392 2.798 20 0 CFADRP [NH3+]CC1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000334585712 379578121 /nfs/dbraw/zinc/57/81/21/379578121.db2.gz JCQWBTAKCBQWNG-MRXNPFEDSA-N 2 0 262.372 2.874 20 0 CFADRP Fc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335633585 379632101 /nfs/dbraw/zinc/63/21/01/379632101.db2.gz KMZCOGMXOHFAID-UONOGXRCSA-N 2 0 262.372 2.647 20 0 CFADRP Cc1cccc2nc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cn21 ZINC000172644339 379613167 /nfs/dbraw/zinc/61/31/67/379613167.db2.gz WCQXQCSUQPJWIO-INIZCTEOSA-N 2 0 298.434 2.560 20 0 CFADRP C1C[C@H]2CC([NH2+]C3CCC4(CCOCC4)CC3)C[C@@H]1[NH2+]2 ZINC000335655123 379670686 /nfs/dbraw/zinc/67/06/86/379670686.db2.gz WYVQVUGVADCHMZ-XYPWUTKMSA-N 2 0 278.440 2.598 20 0 CFADRP COc1cccc(Cl)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000335684522 379717203 /nfs/dbraw/zinc/71/72/03/379717203.db2.gz PZMKWRSGZHASIN-UHFFFAOYSA-N 2 0 294.826 2.924 20 0 CFADRP C[C@]1(C[NH2+][C@H]2CCSc3ccccc32)CC[NH2+]C1 ZINC000334658743 379723079 /nfs/dbraw/zinc/72/30/79/379723079.db2.gz LCNHOQGZZFLAEM-ZFWWWQNUSA-N 2 0 262.422 2.813 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC000173385911 379731973 /nfs/dbraw/zinc/73/19/73/379731973.db2.gz CKHJJFVUAJKAQJ-IAGOWNOFSA-N 2 0 289.467 2.611 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000173385879 379732505 /nfs/dbraw/zinc/73/25/05/379732505.db2.gz CKHJJFVUAJKAQJ-SJORKVTESA-N 2 0 289.467 2.611 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@](C)(O)c1ccccc1 ZINC000173959719 379807770 /nfs/dbraw/zinc/80/77/70/379807770.db2.gz XAQYJBNUSHBDLU-ZWKOTPCHSA-N 2 0 290.451 2.700 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)c1 ZINC000335719754 379780667 /nfs/dbraw/zinc/78/06/67/379780667.db2.gz JZVNFAVFXLEDPL-RBUKOAKNSA-N 2 0 293.414 2.790 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699381 379787950 /nfs/dbraw/zinc/78/79/50/379787950.db2.gz LMVMEMZTXFUAPN-IDMDMSBLSA-N 3 0 293.499 2.889 20 0 CFADRP c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(-c2ccncc2)c1 ZINC000335772489 379864376 /nfs/dbraw/zinc/86/43/76/379864376.db2.gz BFPSKQGIHLKTQS-RTBURBONSA-N 2 0 293.414 2.932 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000335750422 379828423 /nfs/dbraw/zinc/82/84/23/379828423.db2.gz YVDCPFQKRNFPRW-GJZGRUSLSA-N 2 0 282.391 2.808 20 0 CFADRP c1cncc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)c1 ZINC000334765438 379908938 /nfs/dbraw/zinc/90/89/38/379908938.db2.gz YENHXRCTSPREFK-RTBURBONSA-N 2 0 293.414 2.932 20 0 CFADRP Cc1ccn2c(CN3C[C@H]([NH+]4CCCC4)C[C@H]3C)cnc2c1 ZINC000334750310 379879410 /nfs/dbraw/zinc/87/94/10/379879410.db2.gz PWQCIXJYRHEEFT-HZPDHXFCSA-N 2 0 298.434 2.701 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000334865375 379933893 /nfs/dbraw/zinc/93/38/93/379933893.db2.gz UAYYYARCKJWSCC-IAGOWNOFSA-N 2 0 292.398 2.544 20 0 CFADRP C[N@H+](Cc1cc(Cl)cc2cccnc21)C1CC([NH3+])C1 ZINC000334866745 379934801 /nfs/dbraw/zinc/93/48/01/379934801.db2.gz CFDCARWQQGFGBJ-UHFFFAOYSA-N 2 0 275.783 2.810 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC000174779915 379939019 /nfs/dbraw/zinc/93/90/19/379939019.db2.gz OBTFWAGREUXOET-WBVHZDCISA-N 2 0 260.425 2.891 20 0 CFADRP FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000334994973 379952749 /nfs/dbraw/zinc/95/27/49/379952749.db2.gz XFJMIBREBLKUKG-KGLIPLIRSA-N 2 0 272.383 2.887 20 0 CFADRP Cc1[nH+]ccc(N2CCC3(CC[NH2+]C3)CC2)c1Cl ZINC000334991735 379953078 /nfs/dbraw/zinc/95/30/78/379953078.db2.gz MRDRDBPGLYGELB-UHFFFAOYSA-N 2 0 265.788 2.623 20 0 CFADRP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334998302 379953189 /nfs/dbraw/zinc/95/31/89/379953189.db2.gz OTFLSDMYPVLPNM-MLGOLLRUSA-N 2 0 262.372 2.744 20 0 CFADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174890103 379957004 /nfs/dbraw/zinc/95/70/04/379957004.db2.gz NIVFGRWHCDQBRE-KRWDZBQOSA-N 2 0 258.409 2.850 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CNCC[C@@H]3C)CC2)CC1 ZINC000335018370 379958044 /nfs/dbraw/zinc/95/80/44/379958044.db2.gz GPMNAMIXLUXUKH-BFWZDYSYSA-N 2 0 293.499 2.617 20 0 CFADRP F[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000335170853 379987671 /nfs/dbraw/zinc/98/76/71/379987671.db2.gz QRMOKGJYVHKPLL-OCCSQVGLSA-N 2 0 263.360 2.531 20 0 CFADRP [NH3+]C1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000335177601 379989188 /nfs/dbraw/zinc/98/91/88/379989188.db2.gz JACPIOXJAXOWCW-UHFFFAOYSA-N 2 0 258.409 2.794 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000335217368 380024647 /nfs/dbraw/zinc/02/46/47/380024647.db2.gz MNEUWQPENWFICH-YOEHRIQHSA-N 2 0 274.408 2.804 20 0 CFADRP Cc1ccsc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000335236272 380058602 /nfs/dbraw/zinc/05/86/02/380058602.db2.gz DROYRPXVIMKXAA-GJZGRUSLSA-N 2 0 294.464 2.775 20 0 CFADRP C[C@@H]1C[C@H](C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC[NH2+]1 ZINC000335254865 380089599 /nfs/dbraw/zinc/08/95/99/380089599.db2.gz CHQBWCGIVJUSAM-CHWSQXEVSA-N 2 0 296.846 2.562 20 0 CFADRP c1ccc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)cc1 ZINC000335228799 380043747 /nfs/dbraw/zinc/04/37/47/380043747.db2.gz VVLGBCQGGHVKOK-XYPWUTKMSA-N 2 0 256.393 2.938 20 0 CFADRP CCc1cnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000335991179 380205301 /nfs/dbraw/zinc/20/53/01/380205301.db2.gz XEIZLIODCGKVND-TZMCWYRMSA-N 2 0 279.453 2.622 20 0 CFADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C)CC2)c1 ZINC000177260964 380323775 /nfs/dbraw/zinc/32/37/75/380323775.db2.gz ZAOBANVHZLNAKQ-UHFFFAOYSA-N 2 0 289.467 2.711 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCN(C)c2ccccc2)CC1 ZINC000177280995 380325928 /nfs/dbraw/zinc/32/59/28/380325928.db2.gz UMBLXBHMVOWLHA-UHFFFAOYSA-N 2 0 289.467 2.929 20 0 CFADRP CC[C@H]([NH2+]CCCc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000571992032 383744201 /nfs/dbraw/zinc/74/42/01/383744201.db2.gz QNDBMPKLQSRLOW-KBPBESRZSA-N 2 0 252.427 2.801 20 0 CFADRP CCC[NH+]1CCC([N@H+](C)CCOCCC(C)C)CC1 ZINC000177050449 380298338 /nfs/dbraw/zinc/29/83/38/380298338.db2.gz KCWKZJZOTIDBAD-UHFFFAOYSA-N 2 0 270.461 2.855 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000336512393 380389998 /nfs/dbraw/zinc/38/99/98/380389998.db2.gz VZGGZQFZTQVSOW-UHFFFAOYSA-N 2 0 262.372 2.886 20 0 CFADRP CC[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000178242334 380426906 /nfs/dbraw/zinc/42/69/06/380426906.db2.gz ZBBFEOPXBWSNEP-KRWDZBQOSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1[NH3+] ZINC000336537791 380434835 /nfs/dbraw/zinc/43/48/35/380434835.db2.gz LEDDXODSVPHABG-KDOFPFPSSA-N 2 0 281.403 2.918 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1C ZINC000178501512 380457988 /nfs/dbraw/zinc/45/79/88/380457988.db2.gz BZNOOWLWNACEGW-YJBOKZPZSA-N 2 0 298.434 2.504 20 0 CFADRP c1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH2+]CC2)cc1 ZINC000178963605 380496434 /nfs/dbraw/zinc/49/64/34/380496434.db2.gz HBUQEPYTVUKBIU-SFHVURJKSA-N 2 0 288.435 2.667 20 0 CFADRP c1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH2+]CC2)cc1 ZINC000178963618 380496602 /nfs/dbraw/zinc/49/66/02/380496602.db2.gz HBUQEPYTVUKBIU-GOSISDBHSA-N 2 0 288.435 2.667 20 0 CFADRP CCCCO[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1(C)C ZINC000178976995 380498180 /nfs/dbraw/zinc/49/81/80/380498180.db2.gz WIAINPNRNGKAJF-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP COCCC[C@H](C)[NH2+][C@H](C)CN1CCC[C@H](C)C1 ZINC000178578325 380466645 /nfs/dbraw/zinc/46/66/45/380466645.db2.gz CZPBASARXKXTJY-SOUVJXGZSA-N 2 0 256.434 2.512 20 0 CFADRP Cc1[nH+]ccc(NCC2([NH+](C)C)CCCC2)c1Cl ZINC000336785689 380630248 /nfs/dbraw/zinc/63/02/48/380630248.db2.gz AJRGVNONACPFAU-UHFFFAOYSA-N 2 0 267.804 2.752 20 0 CFADRP COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)CCC[NH3+] ZINC000336785609 380631284 /nfs/dbraw/zinc/63/12/84/380631284.db2.gz ABCSYDLTYFFDAT-MNOVXSKESA-N 2 0 254.349 2.612 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1OC ZINC000336792457 380640167 /nfs/dbraw/zinc/64/01/67/380640167.db2.gz SFGOQNJGCPNHTA-GXTWGEPZSA-N 2 0 250.386 2.863 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000336794667 380643369 /nfs/dbraw/zinc/64/33/69/380643369.db2.gz DSCZGPQBNHJSDC-UWVGGRQHSA-N 2 0 260.303 2.951 20 0 CFADRP Cc1sccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336681654 380590365 /nfs/dbraw/zinc/59/03/65/380590365.db2.gz DWYILRUHDVPMNU-ZIAGYGMSSA-N 2 0 250.411 2.773 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)cs1 ZINC000336685137 380592895 /nfs/dbraw/zinc/59/28/95/380592895.db2.gz KMEZSGPTVIXNNM-MRVPVSSYSA-N 2 0 277.231 2.728 20 0 CFADRP CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336695140 380596667 /nfs/dbraw/zinc/59/66/67/380596667.db2.gz ACIOSWUPINMRGO-DLBZAZTESA-N 2 0 258.409 2.850 20 0 CFADRP C[N@H+](CCCOCc1ccccc1)CC1CC[NH2+]CC1 ZINC000336710959 380602893 /nfs/dbraw/zinc/60/28/93/380602893.db2.gz LCGKJIDBVVJCIW-UHFFFAOYSA-N 2 0 276.424 2.525 20 0 CFADRP CC(C)SCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000336721920 380614734 /nfs/dbraw/zinc/61/47/34/380614734.db2.gz XRVKFEHDXAWVEG-UHFFFAOYSA-N 2 0 258.475 2.792 20 0 CFADRP c1nn2ccccc2c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000180124208 380621853 /nfs/dbraw/zinc/62/18/53/380621853.db2.gz BMKHTMLGSDWIED-UHFFFAOYSA-N 2 0 298.434 2.642 20 0 CFADRP C[NH+]1CCC(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000336763506 380624507 /nfs/dbraw/zinc/62/45/07/380624507.db2.gz MHTPZZDMIFLHPF-UHFFFAOYSA-N 2 0 258.818 2.833 20 0 CFADRP Cc1cnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000180653436 380686146 /nfs/dbraw/zinc/68/61/46/380686146.db2.gz CBYYUIQUVXWIOZ-UKRRQHHQSA-N 2 0 291.464 2.900 20 0 CFADRP CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cccc3nccn32)C1(C)C ZINC000180672653 380687849 /nfs/dbraw/zinc/68/78/49/380687849.db2.gz KZBDONJBZCCTSM-YOEHRIQHSA-N 2 0 287.407 2.970 20 0 CFADRP Cc1nc(CN2CC[C@@H](Oc3ccncc3)C2)c(C)s1 ZINC000336820745 380688277 /nfs/dbraw/zinc/68/82/77/380688277.db2.gz FFEATJZIFJBIKC-CQSZACIVSA-N 2 0 289.404 2.808 20 0 CFADRP Cc1nccn1CCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336824074 380694267 /nfs/dbraw/zinc/69/42/67/380694267.db2.gz SONHKKMKPKLECR-INIZCTEOSA-N 2 0 270.380 2.814 20 0 CFADRP C[C@H](O)[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000572028779 383748621 /nfs/dbraw/zinc/74/86/21/383748621.db2.gz FXKMLOMRPNXGIX-OVWQWFNUSA-N 2 0 290.451 2.646 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C)CC2)C[C@H]1OC ZINC000181700643 380865258 /nfs/dbraw/zinc/86/52/58/380865258.db2.gz AIHJFEJWSCTFBD-HUUCEWRRSA-N 2 0 268.445 2.512 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401025485 380865963 /nfs/dbraw/zinc/86/59/63/380865963.db2.gz UETMAOGJOOIRCK-ARLBYUKCSA-N 2 0 274.408 2.734 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(F)c1 ZINC000401012265 380866027 /nfs/dbraw/zinc/86/60/27/380866027.db2.gz MYMYZDJMYFFNGI-ZGMNHVEMSA-N 2 0 262.372 2.864 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccs1 ZINC000400941764 380866198 /nfs/dbraw/zinc/86/61/98/380866198.db2.gz DAKJKRKLFJQQKN-WUHRBBMRSA-N 2 0 250.411 2.787 20 0 CFADRP C1CC(C([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CCC2)C1 ZINC000400982183 380866320 /nfs/dbraw/zinc/86/63/20/380866320.db2.gz UWLCRXNQOYXMGC-OWCLPIDISA-N 2 0 262.441 2.933 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1F ZINC000400962386 380866603 /nfs/dbraw/zinc/86/66/03/380866603.db2.gz BXPTWMBIQHBIIX-XDQVBPFNSA-N 2 0 262.372 2.864 20 0 CFADRP C(CC1CC[NH+](CC2CC[NH2+]CC2)CC1)C[NH+]1CCCC1 ZINC000347003485 380868338 /nfs/dbraw/zinc/86/83/38/380868338.db2.gz LNTDRDYZJBEYEM-UHFFFAOYSA-N 3 0 293.499 2.574 20 0 CFADRP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)C1 ZINC000401032420 380869506 /nfs/dbraw/zinc/86/95/06/380869506.db2.gz QFGFZAIYPBTQPM-LFTMDZKFSA-N 2 0 250.430 2.789 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261986678 296314088 /nfs/dbraw/zinc/31/40/88/296314088.db2.gz JVSINBWEQUIWDW-SQNIBIBYSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1scc(C[NH2+]CC2CC[NH+](C)CC2)c1C ZINC000399987266 380850709 /nfs/dbraw/zinc/85/07/09/380850709.db2.gz KEPHYCKHRLIDCT-UHFFFAOYSA-N 2 0 252.427 2.796 20 0 CFADRP C(C[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C[C@H]1CCOC1 ZINC000402101245 380879462 /nfs/dbraw/zinc/87/94/62/380879462.db2.gz PFTXNSKQAZRRLF-NXOAAHMSSA-N 2 0 280.456 2.704 20 0 CFADRP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400443344 380862037 /nfs/dbraw/zinc/86/20/37/380862037.db2.gz MZCVBPUDEPQVQF-VYDXJSESSA-N 2 0 276.424 2.712 20 0 CFADRP CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000181740073 380881600 /nfs/dbraw/zinc/88/16/00/380881600.db2.gz BDSCHSCTYWJUQP-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000181740119 380881739 /nfs/dbraw/zinc/88/17/39/380881739.db2.gz QELQPCLTKYPUEG-ROUUACIJSA-N 2 0 295.515 2.963 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000341276722 380894606 /nfs/dbraw/zinc/89/46/06/380894606.db2.gz KLNRYCOSJGESNH-ZDUSSCGKSA-N 2 0 250.386 2.673 20 0 CFADRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1SC ZINC000347035465 380896404 /nfs/dbraw/zinc/89/64/04/380896404.db2.gz GUGAXVXANKPXLI-LBPRGKRZSA-N 2 0 294.464 2.976 20 0 CFADRP C[NH2+]CC1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000347049089 380904256 /nfs/dbraw/zinc/90/42/56/380904256.db2.gz PVTLXISPNJOCBX-UHFFFAOYSA-N 2 0 276.424 2.905 20 0 CFADRP Cc1cccnc1CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000405091291 380909874 /nfs/dbraw/zinc/90/98/74/380909874.db2.gz QAMQBBFWDUGLQB-HOTGVXAUSA-N 2 0 275.440 2.833 20 0 CFADRP C[NH2+]CC1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000347115396 380949432 /nfs/dbraw/zinc/94/94/32/380949432.db2.gz TUVWULCOEWRMRO-FNORWQNLSA-N 2 0 274.408 2.640 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000347119123 380950878 /nfs/dbraw/zinc/95/08/78/380950878.db2.gz YJNFURRILMKNFK-LLVKDONJSA-N 2 0 284.350 2.847 20 0 CFADRP CCN(CC)[C@@H](C)C[NH2+]CCCc1ccc(C)nc1 ZINC000353914185 380951434 /nfs/dbraw/zinc/95/14/34/380951434.db2.gz KRYHUKVFEBZZMX-HNNXBMFYSA-N 3 0 263.429 2.643 20 0 CFADRP CCC[NH+]1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000353958414 380985006 /nfs/dbraw/zinc/98/50/06/380985006.db2.gz SSRFFIMWXKWXLP-UHFFFAOYSA-N 2 0 264.335 2.793 20 0 CFADRP CC(C)c1cnc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000347126841 380956723 /nfs/dbraw/zinc/95/67/23/380956723.db2.gz YJEYXCDSEFZWOT-LLVKDONJSA-N 2 0 267.442 2.826 20 0 CFADRP CSC1(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CCC1 ZINC000368228329 380961525 /nfs/dbraw/zinc/96/15/25/380961525.db2.gz VQRBZSOUWTVTSI-QLFBSQMISA-N 2 0 280.481 2.688 20 0 CFADRP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000353931931 380966098 /nfs/dbraw/zinc/96/60/98/380966098.db2.gz RBYJKJCQXOVMKU-IRXDYDNUSA-N 2 0 273.424 2.539 20 0 CFADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347090432 380933250 /nfs/dbraw/zinc/93/32/50/380933250.db2.gz GCANYRRHGNRKNH-WCQYABFASA-N 2 0 284.350 2.847 20 0 CFADRP COC[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000368405849 381014409 /nfs/dbraw/zinc/01/44/09/381014409.db2.gz WIRKZJVDGVOBBP-AWEZNQCLSA-N 2 0 294.414 2.662 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@](C)(O)C3CC3)CC2)C1 ZINC000358717158 381031999 /nfs/dbraw/zinc/03/19/99/381031999.db2.gz QHQPZDHWPAUKKB-FHLIZLRMSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H](O)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358711663 381028494 /nfs/dbraw/zinc/02/84/94/381028494.db2.gz HVTWMCKCFWIPQY-QGZVFWFLSA-N 2 0 282.472 2.924 20 0 CFADRP CC[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000347184234 380989820 /nfs/dbraw/zinc/98/98/20/380989820.db2.gz HBRQCKVTUDJIHO-HOTGVXAUSA-N 2 0 281.488 2.571 20 0 CFADRP COCCC1(C[NH2+]C2CCC(C[NH3+])CC2)CCCC1 ZINC000422888117 284860865 /nfs/dbraw/zinc/86/08/65/284860865.db2.gz MCTRRRZYQBOMEA-UHFFFAOYSA-N 2 0 268.445 2.690 20 0 CFADRP CC(C)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cn1 ZINC000354029774 381030806 /nfs/dbraw/zinc/03/08/06/381030806.db2.gz VJPHSKLDPOTACZ-INIZCTEOSA-N 2 0 277.387 2.769 20 0 CFADRP CC(C)Cn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000347208482 381004234 /nfs/dbraw/zinc/00/42/34/381004234.db2.gz NIIPVOSZNLHWKW-KRWDZBQOSA-N 2 0 290.455 2.503 20 0 CFADRP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000368464592 381034301 /nfs/dbraw/zinc/03/43/01/381034301.db2.gz BPGDHGWVTSXXJW-BRWVUGGUSA-N 2 0 294.483 2.902 20 0 CFADRP CC[C@H]1CCCC[N@@H+]1CCNc1cc(C)nc(C2CC2)n1 ZINC000341476126 381037048 /nfs/dbraw/zinc/03/70/48/381037048.db2.gz CYQXSAOXOJPVAV-HNNXBMFYSA-N 2 0 288.439 2.761 20 0 CFADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1(C)CC1 ZINC000182266299 381044445 /nfs/dbraw/zinc/04/44/45/381044445.db2.gz WPNLIKMFFNHMDZ-YOEHRIQHSA-N 2 0 288.435 2.531 20 0 CFADRP CSC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368608871 381083670 /nfs/dbraw/zinc/08/36/70/381083670.db2.gz SQYZBWHXHPLJDB-XQQFMLRXSA-N 2 0 256.459 2.590 20 0 CFADRP O[C@@H](CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000289670199 381093900 /nfs/dbraw/zinc/09/39/00/381093900.db2.gz DDFQLOQZLLJUMQ-CVEARBPZSA-N 2 0 285.391 2.713 20 0 CFADRP Cn1cnc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc21 ZINC000289678348 381098519 /nfs/dbraw/zinc/09/85/19/381098519.db2.gz NVDJYSDYIGPJGJ-XYPWUTKMSA-N 2 0 298.434 2.630 20 0 CFADRP C[C@@H]([NH2+]CCc1ccncc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000289686032 381103289 /nfs/dbraw/zinc/10/32/89/381103289.db2.gz ZSWANSDSEKFQGG-NVXWUHKLSA-N 2 0 287.451 2.867 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)CN1C1CC1 ZINC000368719925 381117842 /nfs/dbraw/zinc/11/78/42/381117842.db2.gz TVIOIJLWFLOALY-VYDXJSESSA-N 2 0 299.462 2.510 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411970870 381076281 /nfs/dbraw/zinc/07/62/81/381076281.db2.gz NVRARDJKTMXZMV-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CC2CCC(OC)CC2)[C@H](C)C1 ZINC000347417584 381137439 /nfs/dbraw/zinc/13/74/39/381137439.db2.gz BJMOJVZWWJRTSA-LMPOIIKSSA-N 2 0 268.445 2.512 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCOC)C[C@H]1C ZINC000354218205 381146599 /nfs/dbraw/zinc/14/65/99/381146599.db2.gz AKSSYELJJMCWSP-HUUCEWRRSA-N 2 0 256.434 2.608 20 0 CFADRP CN(CC[NH2+][C@@H]1CCCc2nn(C)cc21)Cc1ccccc1 ZINC000358951446 381172753 /nfs/dbraw/zinc/17/27/53/381172753.db2.gz XVTLWWUQLWEDKY-QGZVFWFLSA-N 2 0 298.434 2.519 20 0 CFADRP c1nc(CN(CC[NH+]2CCCCCC2)C2CCC2)c[nH]1 ZINC000347490136 381183517 /nfs/dbraw/zinc/18/35/17/381183517.db2.gz ZHVRBTWNBHPXJA-UHFFFAOYSA-N 2 0 276.428 2.640 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CCCCC3CCOCC3)CC[C@H]21 ZINC000369053719 381186888 /nfs/dbraw/zinc/18/68/88/381186888.db2.gz IDWQWYAGXGKJHZ-ZWKOTPCHSA-N 2 0 294.483 2.999 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCC3CCOCC3)CC[C@H]21 ZINC000369053717 381187227 /nfs/dbraw/zinc/18/72/27/381187227.db2.gz IDWQWYAGXGKJHZ-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP CO[C@H](C)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000343951374 220278552 /nfs/dbraw/zinc/27/85/52/220278552.db2.gz MPYCYOWXOCZMKV-BFYDXBDKSA-N 2 0 276.424 2.522 20 0 CFADRP CCc1cccc(F)c1C[NH2+]CC1CC[NH+](C)CC1 ZINC000354328178 381206417 /nfs/dbraw/zinc/20/64/17/381206417.db2.gz IXFWQVOXONNXES-UHFFFAOYSA-N 2 0 264.388 2.820 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000354331740 381209017 /nfs/dbraw/zinc/20/90/17/381209017.db2.gz RWYGNWURFBBAJR-IKGGRYGDSA-N 2 0 282.472 2.902 20 0 CFADRP COC1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCC(C)CC1 ZINC000359015474 381216635 /nfs/dbraw/zinc/21/66/35/381216635.db2.gz NVMHEJMLHNQRPM-LVDPKSTMSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1nccn1C ZINC000183365091 381261949 /nfs/dbraw/zinc/26/19/49/381261949.db2.gz LBQNREJQRHTAIN-JKSUJKDBSA-N 2 0 292.471 2.829 20 0 CFADRP C[C@@H](Cn1ccnc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000359100973 381266134 /nfs/dbraw/zinc/26/61/34/381266134.db2.gz BVXOHHIRESUJIS-HNNXBMFYSA-N 2 0 290.455 2.658 20 0 CFADRP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2COCC)CC1 ZINC000354353917 381221775 /nfs/dbraw/zinc/22/17/75/381221775.db2.gz WPLVCQFHRMPQNZ-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)N1CCc2nc(C[NH2+][C@H]3CC[C@H](F)C3)sc2C1 ZINC000342275183 381240908 /nfs/dbraw/zinc/24/09/08/381240908.db2.gz AKNUTUZFDVNPNP-RYUDHWBXSA-N 2 0 297.443 2.890 20 0 CFADRP COc1ccc(F)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354398235 381243655 /nfs/dbraw/zinc/24/36/55/381243655.db2.gz XIDOBDBPUBVSBL-UHFFFAOYSA-N 2 0 280.387 2.608 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290176661 381331620 /nfs/dbraw/zinc/33/16/20/381331620.db2.gz FBYPWBQGYDZGSR-KBAYOESNSA-N 2 0 288.435 2.666 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C1 ZINC000342442804 381333470 /nfs/dbraw/zinc/33/34/70/381333470.db2.gz MFDIWZSUNUPYCP-GDBMZVCRSA-N 2 0 291.439 2.690 20 0 CFADRP CC(C)C[N@H+](CCc1cncn1C)CC(C)(C)C ZINC000347754437 381333866 /nfs/dbraw/zinc/33/38/66/381333866.db2.gz VZROPAPBGPQKMH-UHFFFAOYSA-N 2 0 251.418 2.967 20 0 CFADRP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290185331 381334180 /nfs/dbraw/zinc/33/41/80/381334180.db2.gz FOUQGXAUQPNAKG-LSDHHAIUSA-N 2 0 293.455 2.936 20 0 CFADRP C(C1CC[NH+](CC23CCC(CC2)C3)CC1)[NH+]1CCOCC1 ZINC000347762596 381338544 /nfs/dbraw/zinc/33/85/44/381338544.db2.gz ZEFPRFLJCWIKJB-UHFFFAOYSA-N 2 0 292.467 2.611 20 0 CFADRP C[N@@H+]1CCC[C@H]2C[NH+](CC[C@H](O)c3ccccc3)CC[C@H]21 ZINC000290231929 381352047 /nfs/dbraw/zinc/35/20/47/381352047.db2.gz IRJSMVSQNOCZON-KSZLIROESA-N 2 0 288.435 2.526 20 0 CFADRP COC(=O)[C@H](C)C[N@H+](CCCc1ccc(C)nc1)C1CC1 ZINC000354622034 381370056 /nfs/dbraw/zinc/37/00/56/381370056.db2.gz BBJIAVURQHICHD-CYBMUJFWSA-N 2 0 290.407 2.596 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(O)cc(F)c3)C2)CC1 ZINC000290289119 381370236 /nfs/dbraw/zinc/37/02/36/381370236.db2.gz AEAWCBMZPHXEMD-OAHLLOKOSA-N 2 0 292.398 2.695 20 0 CFADRP Cc1cccc(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000342545232 381387089 /nfs/dbraw/zinc/38/70/89/381387089.db2.gz LVJLSYWBEHVOLH-MRXNPFEDSA-N 2 0 276.424 2.647 20 0 CFADRP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296421428 381389021 /nfs/dbraw/zinc/38/90/21/381389021.db2.gz LKBDOWHKMSIQEJ-POGJWJPPSA-N 2 0 288.435 2.977 20 0 CFADRP CCc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000347865204 381389999 /nfs/dbraw/zinc/38/99/99/381389999.db2.gz ZAIVBGZSKLDCMV-QGZVFWFLSA-N 2 0 287.451 2.952 20 0 CFADRP CSC1(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000290424803 381425448 /nfs/dbraw/zinc/42/54/48/381425448.db2.gz RFOVTWSUVAQGLZ-UHFFFAOYSA-N 2 0 291.464 2.783 20 0 CFADRP C[N@H+](CCNc1ccnc2ccc(Cl)cc21)C1CC1 ZINC000359478872 381427438 /nfs/dbraw/zinc/42/74/38/381427438.db2.gz HELSFOOBINDUGU-UHFFFAOYSA-N 2 0 275.783 2.816 20 0 CFADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000370589280 381473998 /nfs/dbraw/zinc/47/39/98/381473998.db2.gz PIIHBPPGLBZUKK-GDBMZVCRSA-N 2 0 261.413 2.649 20 0 CFADRP C[N@H+](CCCCOC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000354842620 381481983 /nfs/dbraw/zinc/48/19/83/381481983.db2.gz GALCZQKMAJLLKX-HNNXBMFYSA-N 2 0 270.461 2.855 20 0 CFADRP CC1(C)CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)O1 ZINC000184659458 381454793 /nfs/dbraw/zinc/45/47/93/381454793.db2.gz RRYLPUUQOWXUJO-HZPDHXFCSA-N 2 0 280.456 2.752 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H](COC)CC(C)C)CC1 ZINC000359628726 381520491 /nfs/dbraw/zinc/52/04/91/381520491.db2.gz FSYCANTTZKHFNY-HNNXBMFYSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccccc1 ZINC000370754021 381505380 /nfs/dbraw/zinc/50/53/80/381505380.db2.gz NXEWRRJWGVASHC-ROUUACIJSA-N 2 0 286.419 2.616 20 0 CFADRP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@](C)(O)C(C)C)C2)n1 ZINC000184992693 381507537 /nfs/dbraw/zinc/50/75/37/381507537.db2.gz GJHCZQZSXQGJCB-WBVHZDCISA-N 2 0 291.439 2.531 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000348323884 381508079 /nfs/dbraw/zinc/50/80/79/381508079.db2.gz SXTSKJHIELJJDM-DLBZAZTESA-N 2 0 292.471 2.763 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000184997260 381509742 /nfs/dbraw/zinc/50/97/42/381509742.db2.gz KCJCEHDEGZHGLH-YOEHRIQHSA-N 2 0 273.424 2.997 20 0 CFADRP COc1ccccc1/C=C/C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000290649400 381510156 /nfs/dbraw/zinc/51/01/56/381510156.db2.gz YZOPMWPLXJDCCM-PRLJZHDASA-N 2 0 288.435 2.980 20 0 CFADRP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000354899762 381512513 /nfs/dbraw/zinc/51/25/13/381512513.db2.gz VVPZVVQAELBTJZ-ROUUACIJSA-N 2 0 294.483 2.878 20 0 CFADRP CC(C)(O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000296721837 381519392 /nfs/dbraw/zinc/51/93/92/381519392.db2.gz NBQUZYAFKIWZME-UHFFFAOYSA-N 2 0 290.451 2.880 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)O ZINC000348306665 381495302 /nfs/dbraw/zinc/49/53/02/381495302.db2.gz ZJLBTBRUEXGMAL-GJZGRUSLSA-N 2 0 270.461 2.638 20 0 CFADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)C/C=C/c1ccccc1 ZINC000290610964 381497828 /nfs/dbraw/zinc/49/78/28/381497828.db2.gz WNJIPIKNBBNDIQ-KHWCHDCRSA-N 2 0 258.409 2.972 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)COC ZINC000348311830 381498886 /nfs/dbraw/zinc/49/88/86/381498886.db2.gz JTEOGEZEFFMZBE-ILXRZTDVSA-N 2 0 256.434 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2=Cc3ccccc3OC2)C1 ZINC000290622427 381502038 /nfs/dbraw/zinc/50/20/38/381502038.db2.gz XKFWXOYTLHZMLS-MSOLQXFVSA-N 2 0 298.430 2.879 20 0 CFADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000354961449 381538592 /nfs/dbraw/zinc/53/85/92/381538592.db2.gz QCDBCKMCHQQSLF-BPLDGKMQSA-N 2 0 268.445 2.508 20 0 CFADRP CCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371153260 381557687 /nfs/dbraw/zinc/55/76/87/381557687.db2.gz ATPQWXRYJHZMBG-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348430363 381566215 /nfs/dbraw/zinc/56/62/15/381566215.db2.gz ZEEINSYQCKZROQ-GJZGRUSLSA-N 2 0 270.461 2.759 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cn1 ZINC000342818356 381566462 /nfs/dbraw/zinc/56/64/62/381566462.db2.gz NVXKTYABSJCPOP-IAGOWNOFSA-N 2 0 274.408 2.966 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414170311 381566831 /nfs/dbraw/zinc/56/68/31/381566831.db2.gz BXHJOXPOOYMQKT-ARFHVFGLSA-N 2 0 282.472 2.900 20 0 CFADRP COCC[C@@H](C)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414208686 381570551 /nfs/dbraw/zinc/57/05/51/381570551.db2.gz RXHAKKHRRCRUDA-CYBMUJFWSA-N 2 0 256.434 2.512 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C1(C)C ZINC000414202963 381572093 /nfs/dbraw/zinc/57/20/93/381572093.db2.gz ZQIPDYRCCUWCEA-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1 ZINC000414652219 381597688 /nfs/dbraw/zinc/59/76/88/381597688.db2.gz GPRSQPSTDFIRST-PVAVHDDUSA-N 2 0 258.409 2.777 20 0 CFADRP FC(F)(F)C1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414825219 381607637 /nfs/dbraw/zinc/60/76/37/381607637.db2.gz BZVFBJGVGYZUBY-UNXYVOJBSA-N 2 0 264.335 2.697 20 0 CFADRP CN(CC[NH2+]C(C)(C)C)[C@@H]1CCc2ccccc2C1 ZINC000414709382 381599395 /nfs/dbraw/zinc/59/93/95/381599395.db2.gz RAPXUXJDNLYIPF-MRXNPFEDSA-N 2 0 260.425 2.864 20 0 CFADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000414698603 381600724 /nfs/dbraw/zinc/60/07/24/381600724.db2.gz SBFKIJYBECVLRH-QZTJIDSGSA-N 2 0 295.515 2.948 20 0 CFADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)CC[NH2+]1 ZINC000414688875 381600775 /nfs/dbraw/zinc/60/07/75/381600775.db2.gz JZDLKODNZQDTIH-KONPQCLYSA-N 2 0 288.435 2.837 20 0 CFADRP CCOC(=O)C1([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)CCCCC1 ZINC000414697242 381600854 /nfs/dbraw/zinc/60/08/54/381600854.db2.gz BUNRFWXPHFWBOV-LSDHHAIUSA-N 2 0 296.455 2.572 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414693612 381600987 /nfs/dbraw/zinc/60/09/87/381600987.db2.gz CMEKPIBXPDQOJI-RDJZCZTQSA-N 2 0 290.451 2.948 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccccc3C[C@H]2C)CC[NH2+]1 ZINC000414715986 381602147 /nfs/dbraw/zinc/60/21/47/381602147.db2.gz WJNBYOIOMYRQIL-KFWWJZLASA-N 2 0 258.409 2.821 20 0 CFADRP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)C1 ZINC000414715649 381602168 /nfs/dbraw/zinc/60/21/68/381602168.db2.gz RIJQKILGBWGHLH-FPCVCCKLSA-N 2 0 250.430 2.887 20 0 CFADRP CCCCOC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414749250 381602912 /nfs/dbraw/zinc/60/29/12/381602912.db2.gz VUYIQJZPDKVUHR-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP CCCCOC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414749254 381602918 /nfs/dbraw/zinc/60/29/18/381602918.db2.gz VUYIQJZPDKVUHR-HUUCEWRRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](C3CCCCC3)C2)CC[NH2+]1 ZINC000414756849 381605757 /nfs/dbraw/zinc/60/57/57/381605757.db2.gz RHQAOUHBGDKWIX-VYDXJSESSA-N 2 0 280.456 2.656 20 0 CFADRP COCC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677720 381597562 /nfs/dbraw/zinc/59/75/62/381597562.db2.gz JIJVOPMEAFBBOD-UONOGXRCSA-N 2 0 282.453 2.585 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000342905985 381608631 /nfs/dbraw/zinc/60/86/31/381608631.db2.gz FCXMELWFKGKWCP-MRXNPFEDSA-N 2 0 268.445 2.609 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000414883442 381609741 /nfs/dbraw/zinc/60/97/41/381609741.db2.gz UWUBZKFYROXIGL-WDEREUQCSA-N 2 0 274.330 2.993 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000414925487 381613211 /nfs/dbraw/zinc/61/32/11/381613211.db2.gz LVRDYDQYVRHRKE-GHMZBOCLSA-N 2 0 288.313 2.787 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)C1 ZINC000414924784 381614245 /nfs/dbraw/zinc/61/42/45/381614245.db2.gz KUMYUWKNFWIKGR-NWDGAFQWSA-N 2 0 288.313 2.945 20 0 CFADRP CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000414927256 381615914 /nfs/dbraw/zinc/61/59/14/381615914.db2.gz ONAUSCOFLIYBCO-OLZOCXBDSA-N 2 0 266.360 2.584 20 0 CFADRP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000414928501 381618038 /nfs/dbraw/zinc/61/80/38/381618038.db2.gz NIUIVJHABAWOFS-QLFBSQMISA-N 2 0 268.445 2.558 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCOc2ccccc2)CC[NH2+]1 ZINC000414927823 381618487 /nfs/dbraw/zinc/61/84/87/381618487.db2.gz ABQRLHBOZHFBGM-CABCVRRESA-N 2 0 262.397 2.576 20 0 CFADRP C1=CC[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000371417222 381620581 /nfs/dbraw/zinc/62/05/81/381620581.db2.gz SQTIYXCQNBTIFP-SFHVURJKSA-N 2 0 292.467 2.777 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000414931891 381622893 /nfs/dbraw/zinc/62/28/93/381622893.db2.gz VAAUHCQONDJXCO-DFBGVHRSSA-N 2 0 250.361 2.789 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)[C@H]1CCCOC1 ZINC000355125707 381629179 /nfs/dbraw/zinc/62/91/79/381629179.db2.gz DJTIRZJBMATWFK-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP COC[C@]1(C[NH2+]C[C@@H](C)CCc2ccccc2)CCC[NH2+]1 ZINC000414943163 381633976 /nfs/dbraw/zinc/63/39/76/381633976.db2.gz LPNZDEDADRNOOK-FUHWJXTLSA-N 2 0 290.451 2.614 20 0 CFADRP CC(C)C[C@H]([NH3+])CN[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414943906 381634608 /nfs/dbraw/zinc/63/46/08/381634608.db2.gz ONNLBSLHOAILGZ-ZWKOTPCHSA-N 2 0 285.435 2.803 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414945105 381635529 /nfs/dbraw/zinc/63/55/29/381635529.db2.gz HWCMYAWNJOWTCU-WOSRLPQWSA-N 2 0 264.388 2.877 20 0 CFADRP COc1cc(C[NH2+]C2(C)CC[NH2+]CC2)ccc1OC(C)C ZINC000414945760 381636273 /nfs/dbraw/zinc/63/62/73/381636273.db2.gz SCLSQQYSKSHKFT-UHFFFAOYSA-N 2 0 292.423 2.714 20 0 CFADRP CC(C)COc1cccc(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000414946094 381636632 /nfs/dbraw/zinc/63/66/32/381636632.db2.gz SNAPUAXMKWMXRF-UHFFFAOYSA-N 2 0 276.424 2.953 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)CC[NH2+]1 ZINC000414940957 381631552 /nfs/dbraw/zinc/63/15/52/381631552.db2.gz CCSBXKCRRKSNQN-WMLDXEAASA-N 2 0 281.403 2.979 20 0 CFADRP COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1Cl ZINC000414940790 381631592 /nfs/dbraw/zinc/63/15/92/381631592.db2.gz KLKYQZXDPRCKPN-UHFFFAOYSA-N 2 0 268.788 2.580 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414940464 381632228 /nfs/dbraw/zinc/63/22/28/381632228.db2.gz BNDULUSKFHWFSO-UKRRQHHQSA-N 2 0 262.397 2.704 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414943883 381633740 /nfs/dbraw/zinc/63/37/40/381633740.db2.gz OMTAOEDMYLTYFK-ZENOOKHLSA-N 2 0 264.388 2.734 20 0 CFADRP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000414943648 381633782 /nfs/dbraw/zinc/63/37/82/381633782.db2.gz FQSKKMYBRPHSIW-YPMHNXCESA-N 2 0 297.240 2.988 20 0 CFADRP Cc1ncc(CN2CC[C@H]([NH2+]C(C)C)[C@@H](C)C2)s1 ZINC000371509008 381647800 /nfs/dbraw/zinc/64/78/00/381647800.db2.gz NBHOMBZREMWTSN-FZMZJTMJSA-N 2 0 267.442 2.660 20 0 CFADRP COCC1(C[NH2+]Cc2cc3ccccc3o2)CC[NH2+]CC1 ZINC000414957112 381649258 /nfs/dbraw/zinc/64/92/58/381649258.db2.gz PQVRWBRRZRIRLX-UHFFFAOYSA-N 2 0 288.391 2.539 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000414948082 381639129 /nfs/dbraw/zinc/63/91/29/381639129.db2.gz XKHAKEOWHJXVAJ-JMSVASOKSA-N 2 0 250.361 2.517 20 0 CFADRP COC[C@]1(C[NH2+]CC[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000414951045 381642977 /nfs/dbraw/zinc/64/29/77/381642977.db2.gz GHBVZNRQBMFTMK-DOTOQJQBSA-N 2 0 276.424 2.538 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)cc2F)CC[NH2+]1 ZINC000414952872 381644364 /nfs/dbraw/zinc/64/43/64/381644364.db2.gz RDMAYHXWEZDZIT-USXUBVMZSA-N 2 0 266.335 2.708 20 0 CFADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000343036255 381655300 /nfs/dbraw/zinc/65/53/00/381655300.db2.gz ZWSSXXSAMXMZHM-YJBOKZPZSA-N 2 0 289.467 2.568 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1c1ccccc1 ZINC000414961288 381656041 /nfs/dbraw/zinc/65/60/41/381656041.db2.gz YSLZPVYZJWBTHN-IMPMIVQMSA-N 2 0 258.409 2.909 20 0 CFADRP c1csc(-c2n[nH]cc2C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414960789 381656185 /nfs/dbraw/zinc/65/61/85/381656185.db2.gz ARMNYOHBZNHHMS-CYBMUJFWSA-N 2 0 290.436 2.760 20 0 CFADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000359879738 381656663 /nfs/dbraw/zinc/65/66/63/381656663.db2.gz UFZPBULVCYYHBM-UHFFFAOYSA-N 2 0 292.471 2.754 20 0 CFADRP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414962155 381658278 /nfs/dbraw/zinc/65/82/78/381658278.db2.gz VZDAKMFFKOJXDE-SOUVJXGZSA-N 2 0 256.434 2.559 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000414962007 381658532 /nfs/dbraw/zinc/65/85/32/381658532.db2.gz RZRSUCFAJBXKTN-OIISXLGYSA-N 2 0 260.425 2.985 20 0 CFADRP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000414968569 381666016 /nfs/dbraw/zinc/66/60/16/381666016.db2.gz INOLJEBZJHASFG-MRXNPFEDSA-N 2 0 276.424 2.952 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969784 381666217 /nfs/dbraw/zinc/66/62/17/381666217.db2.gz JOBBAYUIALLMND-HNNXBMFYSA-N 2 0 292.471 2.877 20 0 CFADRP c1ccc(N2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414970730 381667452 /nfs/dbraw/zinc/66/74/52/381667452.db2.gz KQWXPXPIHNOPPD-MRXNPFEDSA-N 2 0 287.451 2.777 20 0 CFADRP Cn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2ccccc2)n1 ZINC000414972663 381667723 /nfs/dbraw/zinc/66/77/23/381667723.db2.gz MRSKNCFMPDUQBM-KRWDZBQOSA-N 2 0 298.434 2.709 20 0 CFADRP CC(C)c1cnc(C[NH2+]CCC[C@H]2CCC[NH2+]2)s1 ZINC000414975482 381670723 /nfs/dbraw/zinc/67/07/23/381670723.db2.gz OPBQALKRTUYQIP-LBPRGKRZSA-N 2 0 267.442 2.888 20 0 CFADRP FC(F)COc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000414977375 381671384 /nfs/dbraw/zinc/67/13/84/381671384.db2.gz RKISATLTMQRYOZ-AWEZNQCLSA-N 2 0 298.377 2.952 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000414959659 381654465 /nfs/dbraw/zinc/65/44/65/381654465.db2.gz XMMBIXJZDDIIJD-PWSUYJOCSA-N 2 0 270.323 2.518 20 0 CFADRP CC[NH2+][C@H](C)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414959189 381654634 /nfs/dbraw/zinc/65/46/34/381654634.db2.gz PVGDANVBYNINLT-OIISXLGYSA-N 2 0 260.425 2.985 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000415014592 381708591 /nfs/dbraw/zinc/70/85/91/381708591.db2.gz MUKFFYUGSJGTLB-LBPRGKRZSA-N 2 0 290.436 2.812 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371833991 381708997 /nfs/dbraw/zinc/70/89/97/381708997.db2.gz GFACWCBTJOGPHN-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000415016559 381710115 /nfs/dbraw/zinc/71/01/15/381710115.db2.gz CVDRJJHEPWRZHB-STQMWFEESA-N 2 0 252.377 2.864 20 0 CFADRP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415016145 381710472 /nfs/dbraw/zinc/71/04/72/381710472.db2.gz ZUIIIXBPPSXEGI-DMRZNYOFSA-N 2 0 250.430 2.790 20 0 CFADRP COc1ccc(Cl)cc1C[NH2+][C@H](C)CCC[NH3+] ZINC000415016789 381711853 /nfs/dbraw/zinc/71/18/53/381711853.db2.gz CZDPMOBDOLUONA-SNVBAGLBSA-N 2 0 256.777 2.566 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000415016727 381711969 /nfs/dbraw/zinc/71/19/69/381711969.db2.gz QLKCYDITYXDXRE-RYUDHWBXSA-N 2 0 281.469 2.875 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415017681 381711981 /nfs/dbraw/zinc/71/19/81/381711981.db2.gz FSEAVOWVIYHZJP-LLVKDONJSA-N 2 0 290.329 2.845 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000415017521 381712211 /nfs/dbraw/zinc/71/22/11/381712211.db2.gz SEQHRFUFWSVKAD-LBPRGKRZSA-N 2 0 286.366 2.938 20 0 CFADRP CCC[C@@H](C)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371869706 381713473 /nfs/dbraw/zinc/71/34/73/381713473.db2.gz JYQLEVWFFVAULI-QGZVFWFLSA-N 2 0 295.515 2.772 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000415019811 381713754 /nfs/dbraw/zinc/71/37/54/381713754.db2.gz WKXLUCMLGDYRKP-NSHDSACASA-N 2 0 292.452 2.880 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000415018976 381714022 /nfs/dbraw/zinc/71/40/22/381714022.db2.gz VAQNIZCIXQJYJN-IAQYHMDHSA-N 2 0 266.816 2.914 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000415020337 381715219 /nfs/dbraw/zinc/71/52/19/381715219.db2.gz XCYYQWQKIWQMEU-LBPRGKRZSA-N 2 0 295.393 2.510 20 0 CFADRP Cc1ncc(C[NH2+]CCC[C@H]2CCC[NH2+]2)n1-c1ccccc1 ZINC000414982028 381676815 /nfs/dbraw/zinc/67/68/15/381676815.db2.gz YEANGAPORAAFFD-INIZCTEOSA-N 2 0 298.434 2.803 20 0 CFADRP O=c1[nH]c2ccccc2cc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414982680 381677134 /nfs/dbraw/zinc/67/71/34/381677134.db2.gz YXATYRVFXCMUBT-OAHLLOKOSA-N 2 0 285.391 2.562 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414985382 381679588 /nfs/dbraw/zinc/67/95/88/381679588.db2.gz BHUKSZZGMQUMSV-PBHICJAKSA-N 2 0 298.434 2.992 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC(F)F)cc2)C1 ZINC000414990276 381683043 /nfs/dbraw/zinc/68/30/43/381683043.db2.gz IDVLPIPKIGNPQD-KGLIPLIRSA-N 2 0 298.377 2.938 20 0 CFADRP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000414989138 381683798 /nfs/dbraw/zinc/68/37/98/381683798.db2.gz GTBQMLYUGJYMAW-WFASDCNBSA-N 2 0 250.361 2.741 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000414991013 381684573 /nfs/dbraw/zinc/68/45/73/381684573.db2.gz PVLZVWPHCPOZIE-MFKMUULPSA-N 2 0 274.330 2.963 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000414995507 381686926 /nfs/dbraw/zinc/68/69/26/381686926.db2.gz WBMWDNXPVMBQFP-AAEUAGOBSA-N 2 0 297.830 2.692 20 0 CFADRP COCc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415024288 381716831 /nfs/dbraw/zinc/71/68/31/381716831.db2.gz NAMQCLUOMAUKAU-SHTZXODSSA-N 2 0 276.424 2.688 20 0 CFADRP CCOC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415002875 381694896 /nfs/dbraw/zinc/69/48/96/381694896.db2.gz MOWQEGQRHUZJAP-UKPHBRMFSA-N 2 0 294.414 2.533 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000050597674 412952662 /nfs/dbraw/zinc/95/26/62/412952662.db2.gz GDKHVMWFLCQXTP-IRXDYDNUSA-N 2 0 288.435 2.968 20 0 CFADRP COC1(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCCC1 ZINC000359962126 381701021 /nfs/dbraw/zinc/70/10/21/381701021.db2.gz BOZNQNPMXZQORD-IYBDPMFKSA-N 2 0 282.472 2.903 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000415008434 381701691 /nfs/dbraw/zinc/70/16/91/381701691.db2.gz MORMBAMXITUROU-GOEBONIOSA-N 2 0 294.826 2.826 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415008197 381702134 /nfs/dbraw/zinc/70/21/34/381702134.db2.gz CTNHOXMASVELHJ-DJIMGWMZSA-N 2 0 275.440 2.587 20 0 CFADRP CCCc1csc(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000415008223 381702859 /nfs/dbraw/zinc/70/28/59/381702859.db2.gz CZOQXRABGMGVOE-NSHDSACASA-N 2 0 255.431 2.703 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681547 381704295 /nfs/dbraw/zinc/70/42/95/381704295.db2.gz QJEJMELGUYMWEN-UXLLHSPISA-N 2 0 280.456 2.798 20 0 CFADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1Cl ZINC000415012171 381706195 /nfs/dbraw/zinc/70/61/95/381706195.db2.gz ISQLHXMHHOVBIN-SDDRHHMPSA-N 2 0 297.830 2.691 20 0 CFADRP COc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000415043947 381730593 /nfs/dbraw/zinc/73/05/93/381730593.db2.gz SISPBIJCXPBPBS-CMPLNLGQSA-N 2 0 268.788 2.566 20 0 CFADRP CCCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000371984801 381731530 /nfs/dbraw/zinc/73/15/30/381731530.db2.gz PBDAQCNUFRSEMT-HRCADAONSA-N 2 0 268.445 2.656 20 0 CFADRP COC(=O)C(C)(C)CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415046507 381732125 /nfs/dbraw/zinc/73/21/25/381732125.db2.gz CPBCZRRTMGLMNL-HNNXBMFYSA-N 2 0 292.423 2.646 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415044466 381733485 /nfs/dbraw/zinc/73/34/85/381733485.db2.gz SRCOERHHSMRVSS-ZLDLUXBVSA-N 2 0 266.816 2.988 20 0 CFADRP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415044462 381733549 /nfs/dbraw/zinc/73/35/49/381733549.db2.gz SRCOERHHSMRVSS-OSAQELSMSA-N 2 0 266.816 2.988 20 0 CFADRP c1ccc([C@@H]2CCCC[C@@H]([NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000415047921 381734080 /nfs/dbraw/zinc/73/40/80/381734080.db2.gz ZBHHVDUMFFPAHK-DZVNLGKHSA-N 2 0 270.420 2.910 20 0 CFADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H](CCc2ccccc2)C(F)F)C1 ZINC000415048662 381734822 /nfs/dbraw/zinc/73/48/22/381734822.db2.gz XBFRSRLOOZPYPP-KFWWJZLASA-N 2 0 282.378 2.970 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053677 381738323 /nfs/dbraw/zinc/73/83/23/381738323.db2.gz KITYKHAHRACRON-CXAGYDPISA-N 2 0 276.424 2.674 20 0 CFADRP Cc1ncccc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415051918 381738773 /nfs/dbraw/zinc/73/87/73/381738773.db2.gz JXQAOEYUEGCWCV-KRWDZBQOSA-N 2 0 269.392 2.960 20 0 CFADRP COCc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415055650 381740378 /nfs/dbraw/zinc/74/03/78/381740378.db2.gz RIJYZGLGHCMGSR-QZTJIDSGSA-N 2 0 288.435 2.797 20 0 CFADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC000415055367 381740810 /nfs/dbraw/zinc/74/08/10/381740810.db2.gz OOYTXYFYNXUDNZ-HOTGVXAUSA-N 2 0 262.397 2.625 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415053702 381740900 /nfs/dbraw/zinc/74/09/00/381740900.db2.gz MRJVXXUJEBFCEI-VEZWFGLTSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000415058833 381744025 /nfs/dbraw/zinc/74/40/25/381744025.db2.gz INPOCGBODZAIBC-ZDUSSCGKSA-N 2 0 279.403 2.643 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000415058580 381744321 /nfs/dbraw/zinc/74/43/21/381744321.db2.gz UCWQLACAXFPNSN-HUUCEWRRSA-N 2 0 264.438 2.952 20 0 CFADRP [NH3+]CCC[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000415059638 381745013 /nfs/dbraw/zinc/74/50/13/381745013.db2.gz VFEUJLHWDRSNLQ-INIZCTEOSA-N 2 0 273.355 2.791 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@@]1(C)C[NH3+] ZINC000415058737 381745117 /nfs/dbraw/zinc/74/51/17/381745117.db2.gz WPPMJGHXFJJDIE-MLGOLLRUSA-N 2 0 298.377 2.747 20 0 CFADRP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@]1(C)C[NH3+] ZINC000415058920 381745239 /nfs/dbraw/zinc/74/52/39/381745239.db2.gz SIJGNJBEOFUBHE-BSWAZPDLSA-N 2 0 258.409 2.707 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2N2CCOCC2)o1 ZINC000372065521 381746531 /nfs/dbraw/zinc/74/65/31/381746531.db2.gz QGLDJDNOWKSOSB-HRCADAONSA-N 2 0 292.423 2.740 20 0 CFADRP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360044004 381747753 /nfs/dbraw/zinc/74/77/53/381747753.db2.gz AVZDNMMNOGKUAG-SUMWQHHRSA-N 2 0 286.419 2.756 20 0 CFADRP C[C@H](CCc1cccc(F)c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415063817 381749884 /nfs/dbraw/zinc/74/98/84/381749884.db2.gz BBOPKDBRVSEDTL-CYBMUJFWSA-N 2 0 264.388 2.879 20 0 CFADRP COC1(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCCC1 ZINC000348874912 381751003 /nfs/dbraw/zinc/75/10/03/381751003.db2.gz JISGLXLYZFXGOI-XYPWUTKMSA-N 2 0 280.456 2.893 20 0 CFADRP COCC[C@H]1CCCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000372104150 381752415 /nfs/dbraw/zinc/75/24/15/381752415.db2.gz VVZUWQAHLOPFRP-MRXNPFEDSA-N 2 0 268.445 2.611 20 0 CFADRP C[C@@H]1[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000415067983 381754183 /nfs/dbraw/zinc/75/41/83/381754183.db2.gz LWIOOKHLLARBGP-RKTXRCNFSA-N 2 0 258.409 2.910 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CCC(C)(C)CC1 ZINC000185864735 381759559 /nfs/dbraw/zinc/75/95/59/381759559.db2.gz VUHFBBDGNYRCPV-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@H](CCCC(F)(F)F)[NH2+]CCC[NH2+]C1CC1 ZINC000415071398 381755726 /nfs/dbraw/zinc/75/57/26/381755726.db2.gz SZUBAVAHZXOZCH-SNVBAGLBSA-N 2 0 252.324 2.839 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+]CCC[NH2+]C1CC1 ZINC000415071396 381756249 /nfs/dbraw/zinc/75/62/49/381756249.db2.gz SZUBAVAHZXOZCH-JTQLQIEISA-N 2 0 252.324 2.839 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000415025997 381718336 /nfs/dbraw/zinc/71/83/36/381718336.db2.gz SKAUEZPUXDHHQW-SNVBAGLBSA-N 2 0 276.302 2.802 20 0 CFADRP CCOc1cc2c(cc1C[NH2+][C@H](C)CCC[NH3+])O[C@@H](C)C2 ZINC000415025967 381718549 /nfs/dbraw/zinc/71/85/49/381718549.db2.gz SHDCVUMMTJEEHM-OLZOCXBDSA-N 2 0 292.423 2.626 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC000415031983 381722652 /nfs/dbraw/zinc/72/26/52/381722652.db2.gz HPAHHSPWQOWJLD-SKDRFNHKSA-N 2 0 256.752 2.696 20 0 CFADRP CCCn1c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)nc2ccccc21 ZINC000415033636 381722723 /nfs/dbraw/zinc/72/27/23/381722723.db2.gz JBHXESXVFWYLRB-ZIAGYGMSSA-N 2 0 286.423 2.663 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c3cccnc23)C1 ZINC000415031123 381723294 /nfs/dbraw/zinc/72/32/94/381723294.db2.gz GMAGBIMZHKZSLF-AAEUAGOBSA-N 2 0 273.355 2.591 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1OC(C)C ZINC000415033614 381723337 /nfs/dbraw/zinc/72/33/37/381723337.db2.gz IYRBHWFDAMWMNR-UKRRQHHQSA-N 2 0 292.423 2.699 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415036049 381724302 /nfs/dbraw/zinc/72/43/02/381724302.db2.gz LDXYEAPEZAFPIO-HUUCEWRRSA-N 2 0 262.397 2.691 20 0 CFADRP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415034778 381724424 /nfs/dbraw/zinc/72/44/24/381724424.db2.gz DBUKTCJRNUHZFX-QZTJIDSGSA-N 2 0 287.451 2.787 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415033877 381724593 /nfs/dbraw/zinc/72/45/93/381724593.db2.gz CFCNBKAAGGECLH-IAGOWNOFSA-N 2 0 258.409 2.959 20 0 CFADRP [NH3+]C[C@H]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000415038370 381725800 /nfs/dbraw/zinc/72/58/00/381725800.db2.gz NHAMQMVNQZJQBM-LSDHHAIUSA-N 2 0 262.397 2.563 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000415038888 381726456 /nfs/dbraw/zinc/72/64/56/381726456.db2.gz NUIGPZKSNOGCNY-JSGCOSHPSA-N 2 0 271.364 2.559 20 0 CFADRP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415037314 381726554 /nfs/dbraw/zinc/72/65/54/381726554.db2.gz KWWYTTVPTAMOEF-GOEBONIOSA-N 2 0 260.425 2.985 20 0 CFADRP Cc1cnc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000185763574 381726765 /nfs/dbraw/zinc/72/67/65/381726765.db2.gz LFCYLJDUQOASHK-ZIAGYGMSSA-N 2 0 277.412 2.726 20 0 CFADRP CCC(CC)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415104461 381783109 /nfs/dbraw/zinc/78/31/09/381783109.db2.gz GYMAXAXVLJCZNB-JKSUJKDBSA-N 2 0 268.445 2.641 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415105879 381784927 /nfs/dbraw/zinc/78/49/27/381784927.db2.gz GTDFMSMNENVXIL-HLLBOEOZSA-N 2 0 275.440 2.913 20 0 CFADRP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355616286 381787296 /nfs/dbraw/zinc/78/72/96/381787296.db2.gz ZLOFDULHCQZNIQ-ZGRYLRDCSA-N 2 0 280.456 2.798 20 0 CFADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCCOC1 ZINC000349002895 381788006 /nfs/dbraw/zinc/78/80/06/381788006.db2.gz JRBNHFVVVJHIRP-SFHVURJKSA-N 2 0 290.451 2.997 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415114436 381788210 /nfs/dbraw/zinc/78/82/10/381788210.db2.gz SQDKBPMUVMRXCU-HLLBOEOZSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415114435 381788420 /nfs/dbraw/zinc/78/84/20/381788420.db2.gz SQDKBPMUVMRXCU-BFYDXBDKSA-N 2 0 275.440 2.771 20 0 CFADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CC[NH2+]C1 ZINC000415115280 381788975 /nfs/dbraw/zinc/78/89/75/381788975.db2.gz GVGJXZXNKCPNCB-YJBOKZPZSA-N 2 0 287.451 2.513 20 0 CFADRP CCOCc1ccccc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415119873 381790560 /nfs/dbraw/zinc/79/05/60/381790560.db2.gz XZRBSBVNCSWIJT-GJZGRUSLSA-N 2 0 276.424 2.701 20 0 CFADRP CC(C)C[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355674972 381793089 /nfs/dbraw/zinc/79/30/89/381793089.db2.gz BWFQTCKCENGAIK-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000415121035 381793274 /nfs/dbraw/zinc/79/32/74/381793274.db2.gz YTIRSRYWQXRSMN-GUTXKFCHSA-N 2 0 292.423 2.743 20 0 CFADRP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415123864 381794820 /nfs/dbraw/zinc/79/48/20/381794820.db2.gz JVIFKQLAIAOXCG-DOMZBBRYSA-N 2 0 292.471 2.672 20 0 CFADRP CC(C)[C@](C)(O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000372342971 381795382 /nfs/dbraw/zinc/79/53/82/381795382.db2.gz AXNHOSUPVRLGQD-DOTOQJQBSA-N 2 0 294.483 2.590 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C[C@H]1C[NH3+] ZINC000415127841 381796625 /nfs/dbraw/zinc/79/66/25/381796625.db2.gz NIIFYWYTHVUJAO-RHSMWYFYSA-N 2 0 288.435 2.892 20 0 CFADRP CC(C)(C[NH2+]C[C@]1(C)CC[NH2+]C1)Cc1ccccc1 ZINC000415078914 381763576 /nfs/dbraw/zinc/76/35/76/381763576.db2.gz HGYHVRRBSORHNX-QGZVFWFLSA-N 2 0 260.425 2.845 20 0 CFADRP Cc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000415081437 381765386 /nfs/dbraw/zinc/76/53/86/381765386.db2.gz BWMSXEKJMWWJFF-WBVHZDCISA-N 2 0 260.425 2.966 20 0 CFADRP C[C@@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)Cc1cccs1 ZINC000415079478 381765494 /nfs/dbraw/zinc/76/54/94/381765494.db2.gz IAQIIZLJUYYGHB-OCCSQVGLSA-N 2 0 252.427 2.516 20 0 CFADRP C[C@H](C[NH2+]C[C@@]1(C)CC[NH2+]C1)Cc1cccs1 ZINC000415079476 381765982 /nfs/dbraw/zinc/76/59/82/381765982.db2.gz IAQIIZLJUYYGHB-JSGCOSHPSA-N 2 0 252.427 2.516 20 0 CFADRP COc1ccc(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000415083783 381769053 /nfs/dbraw/zinc/76/90/53/381769053.db2.gz NVBUGNCVVWIRIH-AAEUAGOBSA-N 2 0 282.815 2.826 20 0 CFADRP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000415084581 381769477 /nfs/dbraw/zinc/76/94/77/381769477.db2.gz OVYOGJIWMOPTDW-AAEUAGOBSA-N 2 0 282.815 2.969 20 0 CFADRP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415084122 381769590 /nfs/dbraw/zinc/76/95/90/381769590.db2.gz RAODKFDMULVMDE-JHJVBQTASA-N 2 0 252.427 2.657 20 0 CFADRP C[C@H]1C[C@H](C[NH2+]CCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000415085137 381771074 /nfs/dbraw/zinc/77/10/74/381771074.db2.gz HYCYGETYDUPDFA-NWDGAFQWSA-N 2 0 284.806 2.999 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+]CCc2ccc(F)cc2Cl)CC[NH2+]1 ZINC000415085141 381771220 /nfs/dbraw/zinc/77/12/20/381771220.db2.gz HYCYGETYDUPDFA-VXGBXAGGSA-N 2 0 284.806 2.999 20 0 CFADRP Clc1cccc(CC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000415086382 381771295 /nfs/dbraw/zinc/77/12/95/381771295.db2.gz JOOSCIQZPOMAAR-AWEZNQCLSA-N 2 0 252.789 2.614 20 0 CFADRP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1c(C)nn(C)c1C ZINC000162476896 322365457 /nfs/dbraw/zinc/36/54/57/322365457.db2.gz REBQXUNDLWFTOS-HNNXBMFYSA-N 2 0 278.444 2.564 20 0 CFADRP Cc1cccc(OC[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000415086917 381773501 /nfs/dbraw/zinc/77/35/01/381773501.db2.gz VIRJGUONBHHLCW-QQFBHYJXSA-N 2 0 276.424 2.869 20 0 CFADRP COc1cc(CC[NH2+]C[C@H]([NH3+])CC(C)C)ccc1C ZINC000415089445 381775037 /nfs/dbraw/zinc/77/50/37/381775037.db2.gz XTNYSGCJDCHODY-OAHLLOKOSA-N 2 0 264.413 2.509 20 0 CFADRP C[C@]1(C[NH2+]CCc2ccccc2C(F)(F)F)CC[NH2+]C1 ZINC000415089645 381775104 /nfs/dbraw/zinc/77/51/04/381775104.db2.gz ZCLZWDAUTKKMCD-CQSZACIVSA-N 2 0 286.341 2.837 20 0 CFADRP Cc1ccccc1OCCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415089571 381775864 /nfs/dbraw/zinc/77/58/64/381775864.db2.gz YXOYQODZRYCDFO-CVEARBPZSA-N 2 0 276.424 2.884 20 0 CFADRP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000415088676 381775938 /nfs/dbraw/zinc/77/59/38/381775938.db2.gz WQWHRZFVAICPSH-QLFBSQMISA-N 2 0 270.461 2.791 20 0 CFADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1noc(-c2ccccc2)n1 ZINC000415090864 381777240 /nfs/dbraw/zinc/77/72/40/381777240.db2.gz PLZOUMNXDAFGQM-LMWSTFAQSA-N 2 0 286.379 2.657 20 0 CFADRP Cc1cc(C)n(-c2ccccc2C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000415090917 381777298 /nfs/dbraw/zinc/77/72/98/381777298.db2.gz PROWGOMAHFAFCL-UHFFFAOYSA-N 2 0 298.434 2.849 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1noc(-c2ccccc2)n1 ZINC000415090865 381777349 /nfs/dbraw/zinc/77/73/49/381777349.db2.gz PLZOUMNXDAFGQM-XGNXJENSSA-N 2 0 286.379 2.657 20 0 CFADRP CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000349127094 381829562 /nfs/dbraw/zinc/82/95/62/381829562.db2.gz HWWBVNFKDHQQRH-BPQIPLTHSA-N 2 0 294.483 2.855 20 0 CFADRP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000356221283 381832124 /nfs/dbraw/zinc/83/21/24/381832124.db2.gz PAPZPAUAOITEDZ-NUEKZKHPSA-N 2 0 250.430 2.862 20 0 CFADRP COC1(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCCCC1 ZINC000361550007 381841914 /nfs/dbraw/zinc/84/19/14/381841914.db2.gz QMDAZETZCOORHL-LSDHHAIUSA-N 2 0 268.445 2.750 20 0 CFADRP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCOc3ccccc32)CCN1C ZINC000372399174 381805160 /nfs/dbraw/zinc/80/51/60/381805160.db2.gz CXIYNFUMVMNZDI-OWCLPIDISA-N 2 0 288.435 2.967 20 0 CFADRP CCC[C@H](C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000356346959 381843769 /nfs/dbraw/zinc/84/37/69/381843769.db2.gz ZMRQMALACIOXPY-QLFBSQMISA-N 2 0 256.434 2.702 20 0 CFADRP COc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292873935 381878177 /nfs/dbraw/zinc/87/81/77/381878177.db2.gz DIVGYKCIKLDDGG-SFHVURJKSA-N 2 0 288.435 2.655 20 0 CFADRP C[NH+](C)CCOCC[NH2+]CC1(C)CCCCCC1 ZINC000349216680 381851532 /nfs/dbraw/zinc/85/15/32/381851532.db2.gz KVQSBUSKOPCJIQ-UHFFFAOYSA-N 2 0 256.434 2.515 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000361756895 381861249 /nfs/dbraw/zinc/86/12/49/381861249.db2.gz PTEGOAWQCGXVLC-PMPSAXMXSA-N 2 0 282.472 2.636 20 0 CFADRP CC1CC[NH+](CC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000361770297 381861894 /nfs/dbraw/zinc/86/18/94/381861894.db2.gz WMIUAWHDCCKUIL-ROUUACIJSA-N 2 0 294.483 2.734 20 0 CFADRP Cc1cccc2nc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)cn21 ZINC000292855670 381866831 /nfs/dbraw/zinc/86/68/31/381866831.db2.gz CEVKIYBLGQQNJB-GOSISDBHSA-N 2 0 298.434 2.560 20 0 CFADRP Cc1cc(N2CCC([NH2+]C3CCCC3)CC2)cc[nH+]1 ZINC000372951281 381895822 /nfs/dbraw/zinc/89/58/22/381895822.db2.gz GRDVBNKBVSBTLV-UHFFFAOYSA-N 2 0 259.397 2.891 20 0 CFADRP CCC[N@@H+](CCCc1ccc(C)nc1)CCC[NH+](C)C ZINC000349342937 381897409 /nfs/dbraw/zinc/89/74/09/381897409.db2.gz FKKKVOCMNKRTMV-UHFFFAOYSA-N 2 0 277.456 2.986 20 0 CFADRP CCCN(CCC[NH+](C)C)Cc1cnn(CC(C)C)c1 ZINC000349340881 381897653 /nfs/dbraw/zinc/89/76/53/381897653.db2.gz ACGVJONPKCDXNW-UHFFFAOYSA-N 2 0 280.460 2.703 20 0 CFADRP CCN(CCC[NH+]1CCCC1)Cc1cnn(C(C)(C)C)c1 ZINC000349363566 381909341 /nfs/dbraw/zinc/90/93/41/381909341.db2.gz FKRNTKJQRWIUHZ-UHFFFAOYSA-N 2 0 292.471 2.946 20 0 CFADRP C[NH+](C)[C@H]1CCC[N@H+](CCCC2CCOCC2)CC1 ZINC000373017247 381910614 /nfs/dbraw/zinc/91/06/14/381910614.db2.gz ZVXIFOBALBWOHG-INIZCTEOSA-N 2 0 268.445 2.609 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)CC1(OC)CCCC1 ZINC000349409674 381927477 /nfs/dbraw/zinc/92/74/77/381927477.db2.gz SSTGBGQJEDBGLL-UHFFFAOYSA-N 2 0 270.461 2.999 20 0 CFADRP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349322963 381889467 /nfs/dbraw/zinc/88/94/67/381889467.db2.gz ZFRDNHWQJQZRDK-QZTJIDSGSA-N 2 0 293.499 2.548 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000349325657 381891403 /nfs/dbraw/zinc/89/14/03/381891403.db2.gz SKISTOJJLVPUIG-GJZGRUSLSA-N 2 0 295.515 2.673 20 0 CFADRP c1cn2c(cccc2C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000293047425 381967092 /nfs/dbraw/zinc/96/70/92/381967092.db2.gz RGOXLFJSYNPUNY-UHFFFAOYSA-N 2 0 286.423 2.690 20 0 CFADRP COCC[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CC[C@@H](C)C1 ZINC000362171454 381941498 /nfs/dbraw/zinc/94/14/98/381941498.db2.gz YAZNMOMYFBPATP-IAGOWNOFSA-N 2 0 282.472 2.999 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CC[C@@H](O)c3ccccc3)C2)C1 ZINC000293009336 381947334 /nfs/dbraw/zinc/94/73/34/381947334.db2.gz PPASCRISLURECH-QZTJIDSGSA-N 2 0 288.435 2.528 20 0 CFADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000186565217 381950390 /nfs/dbraw/zinc/95/03/90/381950390.db2.gz GAVNRRWDJUMVMO-GJZGRUSLSA-N 2 0 293.430 2.502 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000186572921 381952346 /nfs/dbraw/zinc/95/23/46/381952346.db2.gz ZIWSDDQHZUCCQD-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CCCCOCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362188661 381953039 /nfs/dbraw/zinc/95/30/39/381953039.db2.gz TTZYFMCKQWMSFZ-GJZGRUSLSA-N 2 0 256.434 2.608 20 0 CFADRP CCCC1CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186583936 381954082 /nfs/dbraw/zinc/95/40/82/381954082.db2.gz NVXSNJZJIOUGBW-AOCRQIFASA-N 2 0 295.515 2.961 20 0 CFADRP CCC1(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCOCC1 ZINC000357068110 381995218 /nfs/dbraw/zinc/99/52/18/381995218.db2.gz DEVVBHUUHJOFAM-INIZCTEOSA-N 2 0 280.456 2.515 20 0 CFADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000357074437 381997613 /nfs/dbraw/zinc/99/76/13/381997613.db2.gz MHDQVEGMCSOQJF-GOSISDBHSA-N 2 0 284.403 2.952 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1nccs1 ZINC000186753042 382003498 /nfs/dbraw/zinc/00/34/98/382003498.db2.gz ISJAVYZAHBNXFV-FDYHWXHSSA-N 2 0 267.442 2.565 20 0 CFADRP CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)C(C)(C)O ZINC000293157564 382010729 /nfs/dbraw/zinc/01/07/29/382010729.db2.gz VIWDAIVMARVYBV-HNNXBMFYSA-N 2 0 273.380 2.511 20 0 CFADRP COCC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CC=CCC1 ZINC000362244962 381974218 /nfs/dbraw/zinc/97/42/18/381974218.db2.gz OXZNVUQPSKHCJK-IAGOWNOFSA-N 2 0 280.456 2.775 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000349689880 381984917 /nfs/dbraw/zinc/98/49/17/381984917.db2.gz DKPBSKOIIZFTDB-IAGOWNOFSA-N 2 0 282.472 2.903 20 0 CFADRP COc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357056942 381990611 /nfs/dbraw/zinc/99/06/11/381990611.db2.gz SRBPGEKHNYCBJR-MRXNPFEDSA-N 2 0 274.408 2.517 20 0 CFADRP Cc1nc2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2s1 ZINC000357057068 381990719 /nfs/dbraw/zinc/99/07/19/381990719.db2.gz UALJDHQIPRQFPU-ZIAGYGMSSA-N 2 0 287.432 2.646 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1CCSCC1 ZINC000186904055 382041966 /nfs/dbraw/zinc/04/19/66/382041966.db2.gz SYERNFKVYDWSOF-LBPRGKRZSA-N 2 0 258.475 2.696 20 0 CFADRP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343975814 382044129 /nfs/dbraw/zinc/04/41/29/382044129.db2.gz HBYZZDBBEROZPY-ZIAGYGMSSA-N 2 0 279.428 2.546 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C12CCC2 ZINC000373520458 382018440 /nfs/dbraw/zinc/01/84/40/382018440.db2.gz ICRIVUKYFSCZHJ-GQGLESIBSA-N 2 0 292.467 2.941 20 0 CFADRP C[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000186812611 382023207 /nfs/dbraw/zinc/02/32/07/382023207.db2.gz IKEAWMRVMKWKOT-AWEZNQCLSA-N 2 0 299.418 2.516 20 0 CFADRP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)CC[N@@H+]1C ZINC000373905310 382029467 /nfs/dbraw/zinc/02/94/67/382029467.db2.gz PUCZEONGACCAKY-JFIYKMOQSA-N 2 0 293.499 2.856 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351323028 382036872 /nfs/dbraw/zinc/03/68/72/382036872.db2.gz DTQMEZKLVALQFJ-DLBZAZTESA-N 2 0 281.488 2.525 20 0 CFADRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CC1(C)C ZINC000417314304 382038887 /nfs/dbraw/zinc/03/88/87/382038887.db2.gz QVZOCANFVAQNFZ-IAGOWNOFSA-N 2 0 295.515 2.818 20 0 CFADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CCCCO1)CC2)C1CC1 ZINC000374284841 382040710 /nfs/dbraw/zinc/04/07/10/382040710.db2.gz BABDIYSVBUKYPT-RDJZCZTQSA-N 2 0 292.467 2.752 20 0 CFADRP CCCc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000187126800 382105097 /nfs/dbraw/zinc/10/50/97/382105097.db2.gz VJVOXUGRNZIZFQ-UHFFFAOYSA-N 2 0 290.451 2.841 20 0 CFADRP C[C@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)[C@H]1C ZINC000293399658 382108333 /nfs/dbraw/zinc/10/83/33/382108333.db2.gz LMPQJKUOHBQXCL-IRXDYDNUSA-N 2 0 287.451 2.539 20 0 CFADRP C[C@@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)[C@@H]1C ZINC000293399655 382109208 /nfs/dbraw/zinc/10/92/08/382109208.db2.gz LMPQJKUOHBQXCL-IAGOWNOFSA-N 2 0 287.451 2.539 20 0 CFADRP CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000352012647 382128468 /nfs/dbraw/zinc/12/84/68/382128468.db2.gz COFHFIBNDBRWLV-TWMKSMIVSA-N 2 0 280.456 2.654 20 0 CFADRP CC[N@@H+]1CC[C@@H](N[C@@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000375344226 382082203 /nfs/dbraw/zinc/08/22/03/382082203.db2.gz CBKKGOZQORMCPM-APHBMKBZSA-N 2 0 292.398 2.969 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CCSCC2)C1 ZINC000187048610 382085809 /nfs/dbraw/zinc/08/58/09/382085809.db2.gz SHPXXAIZGWTWJK-KBPBESRZSA-N 2 0 270.486 2.840 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000417864899 382088902 /nfs/dbraw/zinc/08/89/02/382088902.db2.gz HLUCNHNTLMFXDQ-UHFFFAOYSA-N 2 0 278.444 2.505 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417872980 382090488 /nfs/dbraw/zinc/09/04/88/382090488.db2.gz NVNNGBCCJJDLJK-XHSDSOJGSA-N 2 0 282.472 2.902 20 0 CFADRP CCn1cncc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000417875494 382093175 /nfs/dbraw/zinc/09/31/75/382093175.db2.gz PXBKHFTXIWZIBQ-OAHLLOKOSA-N 2 0 278.444 2.505 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293558937 382175505 /nfs/dbraw/zinc/17/55/05/382175505.db2.gz XFZDJZPXSQJGNB-RHSMWYFYSA-N 2 0 294.414 2.835 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)C[C@H]1OC ZINC000344109919 382132925 /nfs/dbraw/zinc/13/29/25/382132925.db2.gz YKDNLCZGSDXPBK-ARFHVFGLSA-N 2 0 282.472 2.902 20 0 CFADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccsc1C ZINC000293526380 382158879 /nfs/dbraw/zinc/15/88/79/382158879.db2.gz IYNZRFWIYUKIHA-AWEZNQCLSA-N 2 0 270.442 2.503 20 0 CFADRP Cc1[nH+]ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1Cl ZINC000357523105 382205805 /nfs/dbraw/zinc/20/58/05/382205805.db2.gz GUPPKRFHDMGIJN-MWLCHTKSSA-N 2 0 265.788 2.502 20 0 CFADRP Cc1ccccc1C[N@H+]1CCCN(CC[NH2+]C(C)C)CC1 ZINC000377073875 382209210 /nfs/dbraw/zinc/20/92/10/382209210.db2.gz QFMHQTSOGJFCSU-UHFFFAOYSA-N 2 0 289.467 2.501 20 0 CFADRP Cc1cc(N2CCC[C@H](Cc3nccn3C)C2)cc[nH+]1 ZINC000302367488 382243422 /nfs/dbraw/zinc/24/34/22/382243422.db2.gz BFLGZRLJUWSIDP-CQSZACIVSA-N 2 0 270.380 2.583 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H](O)C3(C)C)CC2)C1 ZINC000187683003 382246426 /nfs/dbraw/zinc/24/64/26/382246426.db2.gz QZEZQOAQBNGTDM-XBVQOTNRSA-N 2 0 294.483 2.779 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](CC(C)C)OC)C1 ZINC000419215510 382247149 /nfs/dbraw/zinc/24/71/49/382247149.db2.gz MKMUSIILLSFFMC-HZPDHXFCSA-N 2 0 270.461 2.711 20 0 CFADRP CSC1(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000302480171 382255494 /nfs/dbraw/zinc/25/54/94/382255494.db2.gz SCZBWLURUBZHKR-CYBMUJFWSA-N 2 0 256.459 2.736 20 0 CFADRP C[C@@H]([NH2+]CCCNc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000680353779 542311068 /nfs/dbraw/zinc/31/10/68/542311068.db2.gz NPKNWRTZYLJTQC-CQSZACIVSA-N 2 0 293.430 2.948 20 0 CFADRP Cc1cc(NCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000302543397 382265354 /nfs/dbraw/zinc/26/53/54/382265354.db2.gz GJEGJGVDEUCEJN-UHFFFAOYSA-N 2 0 255.365 2.934 20 0 CFADRP CC1CCC(O)(C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000357659091 382268676 /nfs/dbraw/zinc/26/86/76/382268676.db2.gz CRSZTSJTFYWEPV-UHFFFAOYSA-N 2 0 294.483 2.878 20 0 CFADRP CO[C@H](CC[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(F)(F)F ZINC000345445495 382302797 /nfs/dbraw/zinc/30/27/97/382302797.db2.gz KPQINYPMZXJEOA-GFCCVEGCSA-N 2 0 296.377 2.806 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1 ZINC000293857047 382308809 /nfs/dbraw/zinc/30/88/09/382308809.db2.gz XOXXQYDDJILOIU-KFWWJZLASA-N 2 0 278.440 2.975 20 0 CFADRP CSc1ccccc1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420291883 382344311 /nfs/dbraw/zinc/34/43/11/382344311.db2.gz OGTCGZOILCWRIN-JSGCOSHPSA-N 2 0 264.438 2.968 20 0 CFADRP COc1ccccc1CCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420291357 382344330 /nfs/dbraw/zinc/34/43/30/382344330.db2.gz NKDKTKVKLZENFV-MRXNPFEDSA-N 2 0 278.440 2.933 20 0 CFADRP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1 ZINC000293857058 382309565 /nfs/dbraw/zinc/30/95/65/382309565.db2.gz XOXXQYDDJILOIU-ZNMIVQPWSA-N 2 0 278.440 2.975 20 0 CFADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000377673001 382316685 /nfs/dbraw/zinc/31/66/85/382316685.db2.gz IDCGQMKPAKRAFG-INIZCTEOSA-N 2 0 260.381 2.578 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)C[NH+](C)C ZINC000293874656 382317620 /nfs/dbraw/zinc/31/76/20/382317620.db2.gz YJSGXKWQKUILJI-KBPBESRZSA-N 2 0 292.423 2.524 20 0 CFADRP COc1ccccc1[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420294132 382345456 /nfs/dbraw/zinc/34/54/56/382345456.db2.gz AQKGRZUYPZDNNS-HOTGVXAUSA-N 2 0 288.435 2.874 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]Cc2c(F)ccc(O)c2F)CC1 ZINC000352442077 382334142 /nfs/dbraw/zinc/33/41/42/382334142.db2.gz JVMDSIPUCAFWBN-UHFFFAOYSA-N 2 0 298.377 2.882 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000420298515 382349128 /nfs/dbraw/zinc/34/91/28/382349128.db2.gz HLUIMXGCAUWCGJ-QLFBSQMISA-N 2 0 268.445 2.512 20 0 CFADRP c1ccc([C@H]2CSCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420299066 382350373 /nfs/dbraw/zinc/35/03/73/382350373.db2.gz GFBXUSBNOPJCSR-GOEBONIOSA-N 2 0 276.449 2.776 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357854893 382351134 /nfs/dbraw/zinc/35/11/34/382351134.db2.gz RUDZAFZMOQZBEF-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[C@@H]([NH2+]CCOCC[NH3+])c1ccc(Cl)cc1F ZINC000420391805 382396345 /nfs/dbraw/zinc/39/63/45/382396345.db2.gz AZWRGHAUUZITRP-CQSZACIVSA-N 2 0 288.794 2.741 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420301478 382352239 /nfs/dbraw/zinc/35/22/39/382352239.db2.gz FATFWLHQGBRCMU-NWANDNLSSA-N 2 0 276.449 2.968 20 0 CFADRP c1ccc(C[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000420301753 382352375 /nfs/dbraw/zinc/35/23/75/382352375.db2.gz JBFPZLSTEFQWQT-ZWKOTPCHSA-N 2 0 272.436 2.941 20 0 CFADRP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000420300116 382352426 /nfs/dbraw/zinc/35/24/26/382352426.db2.gz HFBQURANSMLBCE-CQSZACIVSA-N 2 0 290.407 2.627 20 0 CFADRP CO[C@@H](C)C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000188137171 382353744 /nfs/dbraw/zinc/35/37/44/382353744.db2.gz BESWWOKXEBEMBQ-DKIMLUQUSA-N 2 0 288.435 2.522 20 0 CFADRP [NH3+]C[C@@H]1C[N@H+](CCCc2ccncc2)C[C@H]1c1ccccc1 ZINC000420306283 382356090 /nfs/dbraw/zinc/35/60/90/382356090.db2.gz AMGJJYUWBXHMCA-MOPGFXCFSA-N 2 0 295.430 2.689 20 0 CFADRP CC[C@@H](C)[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000420308878 382358495 /nfs/dbraw/zinc/35/84/95/382358495.db2.gz KSVNQHMNDUQJOC-DGCLKSJQSA-N 2 0 267.442 2.662 20 0 CFADRP CC(C)[C@H]([NH2+]CCOCC[NH3+])c1ccc(Cl)cc1F ZINC000420391803 382396718 /nfs/dbraw/zinc/39/67/18/382396718.db2.gz AZWRGHAUUZITRP-AWEZNQCLSA-N 2 0 288.794 2.741 20 0 CFADRP FC(F)(F)CC[N@H+](CC[C@@H]1CC[NH2+]C1)CC1CC1 ZINC000420311846 382359931 /nfs/dbraw/zinc/35/99/31/382359931.db2.gz WDVBHUNQDGSENA-NSHDSACASA-N 2 0 264.335 2.650 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000352488355 382360061 /nfs/dbraw/zinc/36/00/61/382360061.db2.gz PADNEMYIUKKAHP-CYBMUJFWSA-N 2 0 284.350 2.991 20 0 CFADRP CSc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420311331 382360472 /nfs/dbraw/zinc/36/04/72/382360472.db2.gz GVROANCDHKMCLD-VXGBXAGGSA-N 2 0 250.411 2.578 20 0 CFADRP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)no1 ZINC000420314205 382361648 /nfs/dbraw/zinc/36/16/48/382361648.db2.gz QIBRNGNYSPETCJ-GFCCVEGCSA-N 2 0 265.401 2.533 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352565894 382396972 /nfs/dbraw/zinc/39/69/72/382396972.db2.gz BBLDCWMUEQIBSX-WLYUNCDWSA-N 2 0 268.445 2.654 20 0 CFADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000420317462 382364202 /nfs/dbraw/zinc/36/42/02/382364202.db2.gz ORTAORLBKZYBDN-NSHDSACASA-N 2 0 252.324 2.922 20 0 CFADRP COC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000346442697 382364443 /nfs/dbraw/zinc/36/44/43/382364443.db2.gz GKDRMAVULCXPOS-HOCLYGCPSA-N 2 0 280.456 2.750 20 0 CFADRP C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)CC1CCOCC1 ZINC000420321590 382366931 /nfs/dbraw/zinc/36/69/31/382366931.db2.gz CYGHXNIXPKRPEB-QZTJIDSGSA-N 2 0 294.483 2.905 20 0 CFADRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2c(s1)CCCC2 ZINC000420319880 382367496 /nfs/dbraw/zinc/36/74/96/382367496.db2.gz PTZMLXYXOPCDGF-CYBMUJFWSA-N 2 0 293.480 2.843 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420322398 382369046 /nfs/dbraw/zinc/36/90/46/382369046.db2.gz DZGOQGTYFLEOGJ-IAGOWNOFSA-N 2 0 288.435 2.777 20 0 CFADRP c1ccc(OCCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420322397 382369062 /nfs/dbraw/zinc/36/90/62/382369062.db2.gz DZGOQGTYFLEOGJ-DLBZAZTESA-N 2 0 288.435 2.777 20 0 CFADRP C[C@@H](c1ccccc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323146 382369470 /nfs/dbraw/zinc/36/94/70/382369470.db2.gz AVGHTXCSTUHDBQ-VUCTXSBTSA-N 2 0 292.398 2.715 20 0 CFADRP O=C(c1ccccc1)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420327346 382370516 /nfs/dbraw/zinc/37/05/16/382370516.db2.gz YKNZNDKQJCHZOS-HNNXBMFYSA-N 2 0 286.419 2.581 20 0 CFADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000420326808 382370655 /nfs/dbraw/zinc/37/06/55/382370655.db2.gz XTWOZGHDTMRBIL-DZGCQCFKSA-N 2 0 264.413 2.714 20 0 CFADRP CC[C@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420327788 382370850 /nfs/dbraw/zinc/37/08/50/382370850.db2.gz YSTUMMUHVNAQKZ-GOEBONIOSA-N 2 0 276.424 2.860 20 0 CFADRP CSc1ccc(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352507769 382373905 /nfs/dbraw/zinc/37/39/05/382373905.db2.gz DCHWDMAFFPJYDW-AWEZNQCLSA-N 2 0 294.464 2.991 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420339373 382375587 /nfs/dbraw/zinc/37/55/87/382375587.db2.gz YPBADPJTVQONHE-ROUUACIJSA-N 2 0 272.436 2.859 20 0 CFADRP Clc1cccc(O[C@H]2CC[N@H+](CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000420352295 382379423 /nfs/dbraw/zinc/37/94/23/382379423.db2.gz AADPJDTZENKXMB-CJNGLKHVSA-N 2 0 294.826 2.793 20 0 CFADRP Cc1nc2sccn2c1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420359776 382382313 /nfs/dbraw/zinc/38/23/13/382382313.db2.gz KUKQMIFFCWFJJZ-CYBMUJFWSA-N 2 0 292.452 2.526 20 0 CFADRP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000420397386 382398018 /nfs/dbraw/zinc/39/80/18/382398018.db2.gz GBGVFZXUHZVLPD-NUJGCVRESA-N 2 0 288.435 2.744 20 0 CFADRP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420363147 382385924 /nfs/dbraw/zinc/38/59/24/382385924.db2.gz BFQAUWRKBTYPCL-RVKKMQEKSA-N 2 0 288.435 2.700 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540932 382388086 /nfs/dbraw/zinc/38/80/86/382388086.db2.gz RJJVFUSLEHXGNS-NVXWUHKLSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540934 382388164 /nfs/dbraw/zinc/38/81/64/382388164.db2.gz RJJVFUSLEHXGNS-WBVHZDCISA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H]([NH2+]CCOCC[NH3+])c1ccc(Cl)cc1Cl ZINC000420368825 382389002 /nfs/dbraw/zinc/38/90/02/382389002.db2.gz IMAVYKSIXBKHGM-SECBINFHSA-N 2 0 277.195 2.619 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000352545207 382389779 /nfs/dbraw/zinc/38/97/79/382389779.db2.gz HELIQJVYFBKPLI-NVXWUHKLSA-N 2 0 258.409 2.866 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000352544419 382390635 /nfs/dbraw/zinc/39/06/35/382390635.db2.gz AJOMQWQBSJTALU-CYBMUJFWSA-N 2 0 290.436 2.637 20 0 CFADRP Fc1cccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420369545 382391033 /nfs/dbraw/zinc/39/10/33/382391033.db2.gz LEFOEYBJISISDJ-KRWDZBQOSA-N 2 0 276.399 2.834 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000420370015 382391624 /nfs/dbraw/zinc/39/16/24/382391624.db2.gz JINKCOVBWILDFS-NEPJUHHUSA-N 2 0 252.789 2.990 20 0 CFADRP C[C@@H]1COc2ccccc2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420379377 382394702 /nfs/dbraw/zinc/39/47/02/382394702.db2.gz VNQJISBFOYJVMU-HUUCEWRRSA-N 2 0 274.408 2.659 20 0 CFADRP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420393169 382395794 /nfs/dbraw/zinc/39/57/94/382395794.db2.gz JPIXVTKQRYLKKT-FUHWJXTLSA-N 2 0 288.435 2.838 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000357846458 382346747 /nfs/dbraw/zinc/34/67/47/382346747.db2.gz CKCZZBFJYDNNRV-LVQVYYBASA-N 2 0 268.445 2.510 20 0 CFADRP c1ccc(C[C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420295665 382346828 /nfs/dbraw/zinc/34/68/28/382346828.db2.gz CKXWERSNDOXHDJ-MSOLQXFVSA-N 2 0 272.436 2.941 20 0 CFADRP COC[C@H](CC(C)C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357849569 382348282 /nfs/dbraw/zinc/34/82/82/382348282.db2.gz MEOCPEOWYPSQEM-HNNXBMFYSA-N 2 0 270.461 2.759 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)C1(C)C ZINC000357847277 382348326 /nfs/dbraw/zinc/34/83/26/382348326.db2.gz ITYLFLAZBKMTFQ-QLFBSQMISA-N 2 0 282.472 2.758 20 0 CFADRP COC1CCC(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000680469638 542327796 /nfs/dbraw/zinc/32/77/96/542327796.db2.gz GYYSNPMVCCPZAN-UQPPLGOBSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccnn2C)CC[N@@H+]1C ZINC000352635063 382426747 /nfs/dbraw/zinc/42/67/47/382426747.db2.gz BQWQYXBSYQYEDA-GOEBONIOSA-N 2 0 298.434 2.659 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)(C)C ZINC000305771656 382444564 /nfs/dbraw/zinc/44/45/64/382444564.db2.gz RIJFWGLXLYZJOB-CWRNSKLLSA-N 2 0 282.472 2.779 20 0 CFADRP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000420405452 382399274 /nfs/dbraw/zinc/39/92/74/382399274.db2.gz MXILGXMNPCYCJO-JTQLQIEISA-N 2 0 276.302 2.845 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc2cccnc21 ZINC000357988969 382399345 /nfs/dbraw/zinc/39/93/45/382399345.db2.gz GBOMZAKCKAODSL-PBHICJAKSA-N 2 0 283.419 2.707 20 0 CFADRP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404558 382399479 /nfs/dbraw/zinc/39/94/79/382399479.db2.gz MDQCRJZARMQONO-GDBMZVCRSA-N 2 0 276.424 2.681 20 0 CFADRP [NH3+]CCOCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000420407778 382401656 /nfs/dbraw/zinc/40/16/56/382401656.db2.gz OUMLUOLUVLXWKC-HNNXBMFYSA-N 2 0 282.815 2.746 20 0 CFADRP C[C@H]1CC[N@H+](CCCc2ccsc2)C[C@@H]1C[NH3+] ZINC000420413742 382403176 /nfs/dbraw/zinc/40/31/76/382403176.db2.gz SXMLGBYHBALWEF-JSGCOSHPSA-N 2 0 252.427 2.597 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000346547718 382407894 /nfs/dbraw/zinc/40/78/94/382407894.db2.gz CNIJIEOMTYVWCC-MLGOLLRUSA-N 2 0 280.387 2.544 20 0 CFADRP C[C@@H]1C[C@@H](C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000352608113 382413645 /nfs/dbraw/zinc/41/36/45/382413645.db2.gz FSHHUNAUDPAMRW-PMPSAXMXSA-N 2 0 268.445 2.608 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2F)[C@@H](C)C1 ZINC000358086563 382447069 /nfs/dbraw/zinc/44/70/69/382447069.db2.gz NOPKTRAOEGOQEJ-ZFWWWQNUSA-N 2 0 280.387 2.524 20 0 CFADRP COc1ccccc1/C=C\C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346633547 382447238 /nfs/dbraw/zinc/44/72/38/382447238.db2.gz FLGCZOCNOYRKPI-CLFYSBASSA-N 2 0 262.397 2.625 20 0 CFADRP CC(F)(F)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294106164 382418722 /nfs/dbraw/zinc/41/87/22/382418722.db2.gz CIJVDFBTUGUYNE-UHFFFAOYSA-N 2 0 269.339 2.685 20 0 CFADRP Cc1sccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000294110922 382419831 /nfs/dbraw/zinc/41/98/31/382419831.db2.gz FUGRBEMFEHOVIJ-GJZGRUSLSA-N 2 0 264.438 2.973 20 0 CFADRP CCCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346684205 382470571 /nfs/dbraw/zinc/47/05/71/382470571.db2.gz RKADRMODFNZOMZ-HIFRSBDPSA-N 2 0 292.423 2.653 20 0 CFADRP COc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc(Cl)c1OC ZINC000346636666 382449138 /nfs/dbraw/zinc/44/91/38/382449138.db2.gz HVLNMVQYRXQFGW-CMPLNLGQSA-N 2 0 298.814 2.526 20 0 CFADRP FC1(F)CC[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000305899449 382450122 /nfs/dbraw/zinc/45/01/22/382450122.db2.gz SKYJBRBDUAWFRM-RWMBFGLXSA-N 2 0 258.356 2.638 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)CC[N@@H+]1C ZINC000378402496 382455092 /nfs/dbraw/zinc/45/50/92/382455092.db2.gz LWQGHMCPHUKJFS-PBHICJAKSA-N 2 0 298.434 2.659 20 0 CFADRP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000346670148 382463734 /nfs/dbraw/zinc/46/37/34/382463734.db2.gz SKOAPAJRIZJHOX-UHFFFAOYSA-N 2 0 284.407 2.556 20 0 CFADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000346671597 382465391 /nfs/dbraw/zinc/46/53/91/382465391.db2.gz KALKRHPCVIHROZ-ZBFHGGJFSA-N 2 0 281.403 2.918 20 0 CFADRP CCOc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346682760 382469212 /nfs/dbraw/zinc/46/92/12/382469212.db2.gz POCKKHZKPSHRNL-UHFFFAOYSA-N 2 0 280.412 2.511 20 0 CFADRP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(-c2ccccc2)n1 ZINC000346682106 382469250 /nfs/dbraw/zinc/46/92/50/382469250.db2.gz PCFFGJKNNBVDFJ-UHFFFAOYSA-N 2 0 286.423 2.504 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000346691101 382474025 /nfs/dbraw/zinc/47/40/25/382474025.db2.gz VEOHAMHETYZXCM-UKRRQHHQSA-N 2 0 274.408 2.645 20 0 CFADRP CCCOc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000346693919 382477829 /nfs/dbraw/zinc/47/78/29/382477829.db2.gz QOKJXKAPGOGROC-ZFWWWQNUSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCC2(CCCC2)CC1 ZINC000352840584 382477935 /nfs/dbraw/zinc/47/79/35/382477935.db2.gz NXMUGYTWVJTQIJ-INIZCTEOSA-N 2 0 293.499 2.715 20 0 CFADRP [NH3+]C[C@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CCCO1 ZINC000313373229 382520455 /nfs/dbraw/zinc/52/04/55/382520455.db2.gz AVNGZWXKSIAHEJ-AWEZNQCLSA-N 2 0 294.398 2.806 20 0 CFADRP FC1(F)CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000381483352 382521392 /nfs/dbraw/zinc/52/13/92/382521392.db2.gz FUNBQKBWKIHQSV-JHJVBQTASA-N 2 0 258.356 2.638 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000314342134 382524702 /nfs/dbraw/zinc/52/47/02/382524702.db2.gz NHEUGEGMKWJSLV-UHFFFAOYSA-N 2 0 290.455 2.596 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2C)CC[NH+](C)CC1 ZINC000353194672 382525028 /nfs/dbraw/zinc/52/50/28/382525028.db2.gz QHJUYSRWYBXIJY-QWHCGFSZSA-N 2 0 256.459 2.592 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000311709706 382507291 /nfs/dbraw/zinc/50/72/91/382507291.db2.gz JPEJCLMIRAHXID-OAHLLOKOSA-N 2 0 268.445 2.657 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc(OC)s1 ZINC000312056201 382510388 /nfs/dbraw/zinc/51/03/88/382510388.db2.gz FRJHGDPMCAYHBE-GFCCVEGCSA-N 2 0 285.457 2.752 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801546 382518271 /nfs/dbraw/zinc/51/82/71/382518271.db2.gz SQTNLKLVDGEOQE-GXFFZTMASA-N 2 0 286.341 2.576 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801550 382519503 /nfs/dbraw/zinc/51/95/03/382519503.db2.gz SQTNLKLVDGEOQE-ZWNOBZJWSA-N 2 0 286.341 2.576 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000353359483 382538921 /nfs/dbraw/zinc/53/89/21/382538921.db2.gz URJSLJMQLOKTGU-AHCXZYCDSA-N 2 0 294.483 2.780 20 0 CFADRP CC[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000346846987 382542435 /nfs/dbraw/zinc/54/24/35/382542435.db2.gz ONWBQCAZNZFGPF-LYYZXLFJSA-N 2 0 250.430 2.872 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383412125 382543666 /nfs/dbraw/zinc/54/36/66/382543666.db2.gz JLMHBNDZBLLSHW-JZXOWHBKSA-N 2 0 270.420 2.995 20 0 CFADRP CC[C@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000346858954 382547038 /nfs/dbraw/zinc/54/70/38/382547038.db2.gz HLDGBHARBPWXMZ-XHSDSOJGSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1sccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000383792295 382547171 /nfs/dbraw/zinc/54/71/71/382547171.db2.gz RGAPFUVPMXCFDS-CYBMUJFWSA-N 2 0 252.427 2.876 20 0 CFADRP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000346859522 382547631 /nfs/dbraw/zinc/54/76/31/382547631.db2.gz SKNJZRPLFXTTEY-CQSZACIVSA-N 2 0 250.361 2.570 20 0 CFADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189119484 382548069 /nfs/dbraw/zinc/54/80/69/382548069.db2.gz AEDQGBWHSSEXNN-HZPDHXFCSA-N 2 0 280.456 2.536 20 0 CFADRP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384111652 382548115 /nfs/dbraw/zinc/54/81/15/382548115.db2.gz IUCGWBKOPXFTTI-CXAGYDPISA-N 2 0 258.409 2.953 20 0 CFADRP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000384328895 382551774 /nfs/dbraw/zinc/55/17/74/382551774.db2.gz SYVGNSFGLQWHTO-KZNAEPCWSA-N 2 0 288.435 2.765 20 0 CFADRP COCC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000384393103 382553795 /nfs/dbraw/zinc/55/37/95/382553795.db2.gz YRDSGTYIILTWTH-DOTOQJQBSA-N 2 0 276.424 2.523 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)[C@@H](C)O1 ZINC000384683617 382556107 /nfs/dbraw/zinc/55/61/07/382556107.db2.gz FBWLBYSQJYZJCG-FMKPAKJESA-N 2 0 268.445 2.797 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000353548834 382558246 /nfs/dbraw/zinc/55/82/46/382558246.db2.gz NKJABMHNIGCXHJ-GJZGRUSLSA-N 2 0 268.445 2.513 20 0 CFADRP COCC1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCCCC1 ZINC000353548833 382558838 /nfs/dbraw/zinc/55/88/38/382558838.db2.gz NKJABMHNIGCXHJ-CABCVRRESA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]([N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)C1(C)CC1 ZINC000385497850 382571448 /nfs/dbraw/zinc/57/14/48/382571448.db2.gz ICQKECPIKZAGPD-CYBMUJFWSA-N 2 0 258.409 2.953 20 0 CFADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC000367472016 382572196 /nfs/dbraw/zinc/57/21/96/382572196.db2.gz BBFVZDXSRGGDGE-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP Cc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1F ZINC000385590610 382572295 /nfs/dbraw/zinc/57/22/95/382572295.db2.gz IILXACZTRGEEMN-IUODEOHRSA-N 2 0 250.361 2.551 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@H]2CN(C)C[C@@H]2C)c(C)s1 ZINC000358334640 382573352 /nfs/dbraw/zinc/57/33/52/382573352.db2.gz ZIIUEVMZTGDNDF-CHIMOYNISA-N 2 0 252.427 2.966 20 0 CFADRP CSC1(C[NH2+][C@H](C)[C@H]2CC2(C)C)CC[NH+](C)CC1 ZINC000353222823 382529651 /nfs/dbraw/zinc/52/96/51/382529651.db2.gz QZDKPTVWGGCKDD-CHWSQXEVSA-N 2 0 270.486 2.838 20 0 CFADRP CSC1(C[NH2+][C@@H]2CCCC2(C)C)CC[NH+](C)CC1 ZINC000353624863 382584628 /nfs/dbraw/zinc/58/46/28/382584628.db2.gz FDBCCPYLTZRHNB-CYBMUJFWSA-N 2 0 270.486 2.982 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367747353 382585636 /nfs/dbraw/zinc/58/56/36/382585636.db2.gz SAGKAKPVQCUOGH-RBSFLKMASA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ncccc23)[C@@H]2CCC[C@H]21 ZINC000353631865 382587406 /nfs/dbraw/zinc/58/74/06/382587406.db2.gz NEEDUHHXZWEESG-YESZJQIVSA-N 2 0 298.434 2.568 20 0 CFADRP C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000386410998 382588620 /nfs/dbraw/zinc/58/86/20/382588620.db2.gz IMGYIEQDGWPKGS-CJNGLKHVSA-N 2 0 271.408 2.831 20 0 CFADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCC2CCOCC2)C1 ZINC000346967494 382591020 /nfs/dbraw/zinc/59/10/20/382591020.db2.gz JLIZJLYNKRUNOU-GOSISDBHSA-N 2 0 294.483 2.857 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc(C)nc2)[C@H](C)C1 ZINC000353650478 382594950 /nfs/dbraw/zinc/59/49/50/382594950.db2.gz NMJUXVXOIIXEJZ-QAPCUYQASA-N 2 0 289.467 2.985 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000295261674 382601797 /nfs/dbraw/zinc/60/17/97/382601797.db2.gz UZUYRGWNVIKADW-RYUDHWBXSA-N 2 0 270.367 2.998 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000353676815 382602345 /nfs/dbraw/zinc/60/23/45/382602345.db2.gz WVFDTVBTAPAPJF-KKOKHZNYSA-N 2 0 264.335 2.647 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC2)[C@@H](C)C1 ZINC000358406081 382603225 /nfs/dbraw/zinc/60/32/25/382603225.db2.gz SBMOISKDXVJFDH-HOTGVXAUSA-N 2 0 282.472 2.903 20 0 CFADRP CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000388330167 382605823 /nfs/dbraw/zinc/60/58/23/382605823.db2.gz DQFNQQLVBAINBS-MVWHLILJSA-N 2 0 260.381 2.534 20 0 CFADRP CCOCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000388417668 382607479 /nfs/dbraw/zinc/60/74/79/382607479.db2.gz FYDWHSYCDLYNKF-HRCADAONSA-N 2 0 268.445 2.704 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCCO2)[C@@H]2CCC[C@@H]21 ZINC000353694985 382608775 /nfs/dbraw/zinc/60/87/75/382608775.db2.gz ZZYQOQLMYOIERE-QAETUUGQSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCCOC1 ZINC000388738729 382609408 /nfs/dbraw/zinc/60/94/08/382609408.db2.gz IDHSPVRTXRQSKU-UAXWRAGISA-N 2 0 260.381 2.536 20 0 CFADRP CC(C)OC1CC([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000189537734 382621307 /nfs/dbraw/zinc/62/13/07/382621307.db2.gz MIKIUTHDICADRH-UHFFFAOYSA-N 2 0 294.414 2.933 20 0 CFADRP CC(C)OC1CC([NH2+]Cc2cccc(C[NH+](C)C)c2)C1 ZINC000189558815 382624027 /nfs/dbraw/zinc/62/40/27/382624027.db2.gz GIARFNDDCJPOGU-UHFFFAOYSA-N 2 0 276.424 2.794 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)CN1Cc1ccccc1 ZINC000189561464 382624679 /nfs/dbraw/zinc/62/46/79/382624679.db2.gz CDLGSBYDSIJYGX-NXHRZFHOSA-N 2 0 286.419 2.932 20 0 CFADRP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367672017 382581740 /nfs/dbraw/zinc/58/17/40/382581740.db2.gz LRTLOCWYAFWSBY-INIZCTEOSA-N 2 0 281.488 2.523 20 0 CFADRP CC1(C)C[N@H+](CCn2ccnc2)CC[C@@H]1C(F)(F)F ZINC000190177300 382656079 /nfs/dbraw/zinc/65/60/79/382656079.db2.gz HPSIXRSXCAEUJU-NSHDSACASA-N 2 0 275.318 2.794 20 0 CFADRP C1=CO[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000194078956 382734709 /nfs/dbraw/zinc/73/47/09/382734709.db2.gz NQUQDGMSPRXMGG-PVAVHDDUSA-N 2 0 276.424 2.628 20 0 CFADRP CC(C)[NH2+]CCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000191494879 382701097 /nfs/dbraw/zinc/70/10/97/382701097.db2.gz ANWCDCBKVUHABV-DLBZAZTESA-N 2 0 281.488 2.571 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000191795130 382702532 /nfs/dbraw/zinc/70/25/32/382702532.db2.gz RYJLUESBNPCLEU-KRWDZBQOSA-N 2 0 281.488 2.526 20 0 CFADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4c3cccc4Cl)C[C@@H]2C1 ZINC000193638983 382721862 /nfs/dbraw/zinc/72/18/62/382721862.db2.gz MCUYYTCXTOJMIH-OZVIIMIRSA-N 2 0 276.811 2.821 20 0 CFADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(SC)cc1OC ZINC000575046621 382724475 /nfs/dbraw/zinc/72/44/75/382724475.db2.gz XHRWFQXIQWSHIT-MNOVXSKESA-N 2 0 298.452 2.641 20 0 CFADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCCC2)CCO1 ZINC000336832098 382726354 /nfs/dbraw/zinc/72/63/54/382726354.db2.gz FBXOATPGVJCBMS-QWHCGFSZSA-N 2 0 294.361 2.562 20 0 CFADRP CC(C)(C)[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000336846062 382733670 /nfs/dbraw/zinc/73/36/70/382733670.db2.gz IYQYXHRFQYYVGG-KRWDZBQOSA-N 2 0 296.499 2.981 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)nc21 ZINC000337121584 382763215 /nfs/dbraw/zinc/76/32/15/382763215.db2.gz AKUZXFGOACTBSF-KBPBESRZSA-N 2 0 287.407 2.609 20 0 CFADRP c1c2ccccc2oc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219794813 382794500 /nfs/dbraw/zinc/79/45/00/382794500.db2.gz ZDVAMLDTSBSJOB-DZGCQCFKSA-N 2 0 256.349 2.617 20 0 CFADRP CC[C@@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000337209038 382777450 /nfs/dbraw/zinc/77/74/50/382777450.db2.gz AABZJFRKYYNCFP-CQSZACIVSA-N 2 0 256.434 2.608 20 0 CFADRP CCC[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000337292272 382795411 /nfs/dbraw/zinc/79/54/11/382795411.db2.gz FRKRUMGKIYAJBG-MRXNPFEDSA-N 2 0 281.488 2.665 20 0 CFADRP C=Cn1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000194214266 382737756 /nfs/dbraw/zinc/73/77/56/382737756.db2.gz YSEQTFNHHKUGJQ-IYBDPMFKSA-N 2 0 290.455 2.831 20 0 CFADRP C=Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000194231963 382738053 /nfs/dbraw/zinc/73/80/53/382738053.db2.gz YZZJUOMXJYFHGB-UHFFFAOYSA-N 2 0 296.418 2.869 20 0 CFADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1C ZINC000194354413 382741775 /nfs/dbraw/zinc/74/17/75/382741775.db2.gz KURMRIQLOONZGT-CVEARBPZSA-N 2 0 276.424 2.966 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Cl)s1 ZINC000219319972 382793259 /nfs/dbraw/zinc/79/32/59/382793259.db2.gz FZLUCFLAUSQZCX-JTQLQIEISA-N 2 0 276.833 2.630 20 0 CFADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC000219310717 382793390 /nfs/dbraw/zinc/79/33/90/382793390.db2.gz BTCNOWBMPVQJTI-NSHDSACASA-N 2 0 288.794 2.708 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC000228473808 382847149 /nfs/dbraw/zinc/84/71/49/382847149.db2.gz ZNVAVYNCNBCNLW-NWANDNLSSA-N 2 0 264.800 2.899 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)n1 ZINC000577124160 382849079 /nfs/dbraw/zinc/84/90/79/382849079.db2.gz IHMYHAPSJQUKJB-HOTGVXAUSA-N 2 0 278.444 2.741 20 0 CFADRP CCCOc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000577162203 382849779 /nfs/dbraw/zinc/84/97/79/382849779.db2.gz SNHMUJKNXYTJLT-UHFFFAOYSA-N 2 0 262.397 2.707 20 0 CFADRP CCc1cc(OC)ccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000337310385 382799451 /nfs/dbraw/zinc/79/94/51/382799451.db2.gz UQHGDTKMBFKPIJ-UHFFFAOYSA-N 2 0 274.408 2.609 20 0 CFADRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000221916217 382799765 /nfs/dbraw/zinc/79/97/65/382799765.db2.gz JINDQZAARLNTOH-CQSZACIVSA-N 2 0 252.402 2.921 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000337326741 382802106 /nfs/dbraw/zinc/80/21/06/382802106.db2.gz WMWARYQFJHODAT-QGZVFWFLSA-N 2 0 295.515 2.771 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000337327871 382802512 /nfs/dbraw/zinc/80/25/12/382802512.db2.gz DLHHIJASQVUHQS-XHSDSOJGSA-N 2 0 270.461 2.758 20 0 CFADRP CC(C)OC[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000337331199 382803561 /nfs/dbraw/zinc/80/35/61/382803561.db2.gz HCPQYJXZDOFBBS-HNNXBMFYSA-N 2 0 294.439 2.530 20 0 CFADRP CCCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229057720 382850247 /nfs/dbraw/zinc/85/02/47/382850247.db2.gz HIJLXFIAOGOAEO-HOCLYGCPSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCCO1 ZINC000223840913 382807236 /nfs/dbraw/zinc/80/72/36/382807236.db2.gz UQDRTHJJVYBSIC-PMPSAXMXSA-N 2 0 268.445 2.846 20 0 CFADRP c1cc(N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000223824069 382807256 /nfs/dbraw/zinc/80/72/56/382807256.db2.gz QXQKCMYUKDZJRJ-QGZVFWFLSA-N 2 0 289.423 2.599 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000576146613 382811938 /nfs/dbraw/zinc/81/19/38/382811938.db2.gz WNEQQAFCKIWPAJ-ZIAGYGMSSA-N 2 0 250.386 2.580 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000576218795 382814532 /nfs/dbraw/zinc/81/45/32/382814532.db2.gz UUSPSWRPVRYRNM-KBPBESRZSA-N 2 0 264.413 2.776 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000576338145 382819050 /nfs/dbraw/zinc/81/90/50/382819050.db2.gz SYEKHVXHWUAKGT-INIZCTEOSA-N 2 0 274.408 2.798 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000337428900 382819267 /nfs/dbraw/zinc/81/92/67/382819267.db2.gz UDTQNAPFQGHGDB-KZNAEPCWSA-N 2 0 295.515 2.769 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337437998 382820991 /nfs/dbraw/zinc/82/09/91/382820991.db2.gz KKLSIZOSGWSIQD-JKSUJKDBSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000576400137 382821192 /nfs/dbraw/zinc/82/11/92/382821192.db2.gz XNLZMDYCTHVHDT-JTQLQIEISA-N 2 0 260.303 2.966 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576411509 382822015 /nfs/dbraw/zinc/82/20/15/382822015.db2.gz FYFYFBOLIAFJGB-ZIAGYGMSSA-N 2 0 271.408 2.846 20 0 CFADRP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000576411506 382822354 /nfs/dbraw/zinc/82/23/54/382822354.db2.gz FYFYFBOLIAFJGB-UONOGXRCSA-N 2 0 271.408 2.846 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000576566232 382827522 /nfs/dbraw/zinc/82/75/22/382827522.db2.gz QSIXCTRONDSJKG-MCIONIFRSA-N 2 0 280.387 2.571 20 0 CFADRP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000226434405 382828597 /nfs/dbraw/zinc/82/85/97/382828597.db2.gz ZQRKAACGKUNMGB-OAHLLOKOSA-N 2 0 262.397 2.517 20 0 CFADRP COc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000226435059 382828605 /nfs/dbraw/zinc/82/86/05/382828605.db2.gz BVCKWLWJCDISFP-HNNXBMFYSA-N 2 0 274.408 2.659 20 0 CFADRP CN(Cc1nc2ccccc2s1)C[C@H]1CCC[NH2+]C1 ZINC000226439341 382828994 /nfs/dbraw/zinc/82/89/94/382828994.db2.gz WESAVLKRKSJFPY-LBPRGKRZSA-N 2 0 275.421 2.728 20 0 CFADRP C[C@@H]1CCC[C@](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)([NH+](C)C)C1 ZINC000226701826 382830971 /nfs/dbraw/zinc/83/09/71/382830971.db2.gz XPSPDTMBVUWWQT-ILOCAZANSA-N 2 0 295.515 2.815 20 0 CFADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1F ZINC000227327989 382835613 /nfs/dbraw/zinc/83/56/13/382835613.db2.gz UXEXUCWSMOHFLR-UHFFFAOYSA-N 2 0 280.387 2.656 20 0 CFADRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000227327078 382835805 /nfs/dbraw/zinc/83/58/05/382835805.db2.gz UVHSTEAKMQARKJ-UHFFFAOYSA-N 2 0 268.351 2.786 20 0 CFADRP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)ccc1C ZINC000576865087 382839101 /nfs/dbraw/zinc/83/91/01/382839101.db2.gz XQMDVILGHIKICT-MRXNPFEDSA-N 2 0 276.424 2.824 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337538866 382839258 /nfs/dbraw/zinc/83/92/58/382839258.db2.gz HQCGRCLIWNBCSZ-QWHCGFSZSA-N 2 0 276.371 2.611 20 0 CFADRP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c2ccccc2n1 ZINC000228080738 382844810 /nfs/dbraw/zinc/84/48/10/382844810.db2.gz MDULLOXDOGBDKI-KGLIPLIRSA-N 2 0 269.392 2.712 20 0 CFADRP COCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000338020303 382904581 /nfs/dbraw/zinc/90/45/81/382904581.db2.gz OTLFNPOEPWSNCA-HNNXBMFYSA-N 2 0 270.461 2.900 20 0 CFADRP COCC(C)(C)C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000494383436 382912399 /nfs/dbraw/zinc/91/23/99/382912399.db2.gz HEGVTYVBYRUJGJ-OAHLLOKOSA-N 2 0 270.461 2.761 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]21 ZINC000230126353 382856113 /nfs/dbraw/zinc/85/61/13/382856113.db2.gz DLYFAUKBDJXCQY-YESZJQIVSA-N 2 0 281.403 2.794 20 0 CFADRP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000577513430 382861956 /nfs/dbraw/zinc/86/19/56/382861956.db2.gz NQOYYVAUMUPJAV-RRFJBIMHSA-N 2 0 250.430 2.744 20 0 CFADRP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337765328 382863169 /nfs/dbraw/zinc/86/31/69/382863169.db2.gz SBLIOFMSHRXNQP-WBVHZDCISA-N 2 0 260.425 2.926 20 0 CFADRP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422878499 532959613 /nfs/dbraw/zinc/95/96/13/532959613.db2.gz KAZSONPVBZFIRV-SWLSCSKDSA-N 2 0 264.438 2.886 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626733 382865309 /nfs/dbraw/zinc/86/53/09/382865309.db2.gz QIXTZRCRGBAQSL-ZWKOTPCHSA-N 3 0 287.451 2.642 20 0 CFADRP COCC[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000577861564 382873226 /nfs/dbraw/zinc/87/32/26/382873226.db2.gz FMIGBZJOESHDAR-RCCFBDPRSA-N 2 0 288.435 2.933 20 0 CFADRP CCCC[N@H+](CC)Cc1cccc(C[NH2+]C[C@H](C)O)c1 ZINC000578006676 382882556 /nfs/dbraw/zinc/88/25/56/382882556.db2.gz OSNDFMMMCFPQPU-HNNXBMFYSA-N 2 0 278.440 2.779 20 0 CFADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337987722 382890528 /nfs/dbraw/zinc/89/05/28/382890528.db2.gz GWKDYUXVMUKLFJ-ZWKOTPCHSA-N 2 0 293.499 2.572 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000441183515 382899751 /nfs/dbraw/zinc/89/97/51/382899751.db2.gz MALVCJKPUULHAN-UHFFFAOYSA-N 2 0 282.472 2.857 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000338012359 382901120 /nfs/dbraw/zinc/90/11/20/382901120.db2.gz QIKSSQZIPNDRON-YESZJQIVSA-N 2 0 286.419 2.597 20 0 CFADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000236961550 382938237 /nfs/dbraw/zinc/93/82/37/382938237.db2.gz UQMWEAMQVCUKHE-CJNGLKHVSA-N 2 0 289.423 2.737 20 0 CFADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)nc21 ZINC000578637765 382938816 /nfs/dbraw/zinc/93/88/16/382938816.db2.gz DPKPIFFAADTUSR-TZMCWYRMSA-N 2 0 287.407 2.656 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000578651811 382941786 /nfs/dbraw/zinc/94/17/86/382941786.db2.gz KQVZEYSQMAOTRI-QWRGUYRKSA-N 2 0 292.814 2.946 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000535052879 382947218 /nfs/dbraw/zinc/94/72/18/382947218.db2.gz PTPNRHMOAOXTMI-KRWDZBQOSA-N 3 0 281.488 2.523 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCSC1 ZINC000494971619 382948515 /nfs/dbraw/zinc/94/85/15/382948515.db2.gz HVLXYCVRGUVNLD-KBPBESRZSA-N 2 0 256.459 2.546 20 0 CFADRP Cc1ccc(O)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000535081948 382950678 /nfs/dbraw/zinc/95/06/78/382950678.db2.gz LWAYCBRATYMIPT-UHFFFAOYSA-N 2 0 291.439 2.648 20 0 CFADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1cccc2ccccc21 ZINC000442780525 382955701 /nfs/dbraw/zinc/95/57/01/382955701.db2.gz NVNDOUMNTSFDHR-LSDHHAIUSA-N 2 0 284.403 2.888 20 0 CFADRP Cc1cncc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c1 ZINC000421877244 382957609 /nfs/dbraw/zinc/95/76/09/382957609.db2.gz LNDTVRCPCZXCCV-JEYLPNPQSA-N 2 0 261.413 2.913 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423145006 532964819 /nfs/dbraw/zinc/96/48/19/532964819.db2.gz IPOLGLATYNLKGL-NEPJUHHUSA-N 2 0 292.814 2.741 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000423138771 532964918 /nfs/dbraw/zinc/96/49/18/532964918.db2.gz UAYPPFAKVXKNLY-BDAKNGLRSA-N 2 0 276.302 2.643 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccccc1 ZINC000578857702 382960657 /nfs/dbraw/zinc/96/06/57/382960657.db2.gz RPQZGFHUOFWYAI-GOEBONIOSA-N 2 0 286.423 2.617 20 0 CFADRP CCC(C)(C)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000441394861 382913670 /nfs/dbraw/zinc/91/36/70/382913670.db2.gz MIMIIBOQENGWGL-UHFFFAOYSA-N 2 0 270.461 2.591 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000236807386 382920131 /nfs/dbraw/zinc/92/01/31/382920131.db2.gz QTEXWLCOJMEWOL-AWEZNQCLSA-N 2 0 271.408 2.989 20 0 CFADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)C1 ZINC000578453207 382923379 /nfs/dbraw/zinc/92/33/79/382923379.db2.gz JJBQATIAWMSFSR-STQMWFEESA-N 2 0 293.480 2.814 20 0 CFADRP CCCCc1nc2cc(NC(=O)[C@H](C)C[NH2+]C)ccc2[nH]1 ZINC000236915338 382930227 /nfs/dbraw/zinc/93/02/27/382930227.db2.gz ZQRUOYALBASARN-LLVKDONJSA-N 2 0 288.395 2.700 20 0 CFADRP Cc1noc(C)c1CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534469525 382931863 /nfs/dbraw/zinc/93/18/63/382931863.db2.gz IHMDQIPPHIGNGV-UHFFFAOYSA-N 2 0 293.455 2.886 20 0 CFADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000442931204 382963563 /nfs/dbraw/zinc/96/35/63/382963563.db2.gz VMAMFGMXLJGEOH-NSHDSACASA-N 2 0 287.329 2.661 20 0 CFADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCCC2)C1 ZINC000421824479 382933843 /nfs/dbraw/zinc/93/38/43/382933843.db2.gz IYIHBXYRXUWICZ-GJZGRUSLSA-N 2 0 268.445 2.656 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000338281295 382974638 /nfs/dbraw/zinc/97/46/38/382974638.db2.gz CXLRBNXZKYWMKY-NVXWUHKLSA-N 2 0 284.488 2.885 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1CCc2ccccc21 ZINC000422720952 382976417 /nfs/dbraw/zinc/97/64/17/382976417.db2.gz UHTAWXYWVDZOSP-PVAVHDDUSA-N 2 0 287.451 2.687 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000422759079 382977442 /nfs/dbraw/zinc/97/74/42/382977442.db2.gz KTCNEQYSHMKVCG-GJZGRUSLSA-N 2 0 269.477 2.604 20 0 CFADRP CC(C)COCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422781322 382978762 /nfs/dbraw/zinc/97/87/62/382978762.db2.gz IJOBTEBEXSLIGJ-WBVHZDCISA-N 2 0 278.440 2.597 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COc2ccccc2C1 ZINC000422790072 382979570 /nfs/dbraw/zinc/97/95/70/382979570.db2.gz URDHWEOOXNJRHK-BBRMVZONSA-N 2 0 297.402 2.503 20 0 CFADRP CCCCCn1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(C)n1 ZINC000423022878 383016753 /nfs/dbraw/zinc/01/67/53/383016753.db2.gz ILKGEEPZNKYEQX-CHWSQXEVSA-N 2 0 266.433 2.597 20 0 CFADRP FC(F)(F)[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000422816707 382982095 /nfs/dbraw/zinc/98/20/95/382982095.db2.gz FVPCEWOQGGXEAU-JQWIXIFHSA-N 2 0 264.335 2.697 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000422829344 382982670 /nfs/dbraw/zinc/98/26/70/382982670.db2.gz HHTJQAGWNBXXRA-SOLBZPMBSA-N 2 0 287.451 2.620 20 0 CFADRP COC1CCC(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422840620 382983404 /nfs/dbraw/zinc/98/34/04/382983404.db2.gz UEMNITQDHNOAAB-SMELUJQZSA-N 2 0 274.408 2.926 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841486 382983498 /nfs/dbraw/zinc/98/34/98/382983498.db2.gz VZYRRGXVYQOBPO-GPQLOAJWSA-N 3 0 295.515 2.994 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000422885010 382985137 /nfs/dbraw/zinc/98/51/37/382985137.db2.gz GHALBUYAUXIOSI-DZKIICNBSA-N 2 0 274.408 2.673 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865058 382985715 /nfs/dbraw/zinc/98/57/15/382985715.db2.gz WZOBNCOKVATYCA-IXDOHACOSA-N 2 0 293.499 2.904 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422901808 382986560 /nfs/dbraw/zinc/98/65/60/382986560.db2.gz CKNDQLLSYBMIRO-YQQAZPJKSA-N 2 0 258.409 2.824 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000422902237 382987028 /nfs/dbraw/zinc/98/70/28/382987028.db2.gz MJZSZIHCYGFJRG-FXUDXRNXSA-N 2 0 268.445 2.844 20 0 CFADRP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000338309536 382987452 /nfs/dbraw/zinc/98/74/52/382987452.db2.gz VOMYVVANYRFMDT-JKSUJKDBSA-N 2 0 269.477 2.523 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000422898317 382987656 /nfs/dbraw/zinc/98/76/56/382987656.db2.gz LVSGNPHYKSWMCC-CJNGLKHVSA-N 2 0 276.399 2.835 20 0 CFADRP CCC1(CC)[C@H]([NH2+]C2CCC(C[NH3+])CC2)C[C@@H]1OC ZINC000422934442 382988369 /nfs/dbraw/zinc/98/83/69/382988369.db2.gz FZJPMLICFMIUQX-CVSAEHQPSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)(C)c1nc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000423025637 383017380 /nfs/dbraw/zinc/01/73/80/383017380.db2.gz OUVLZYGKXOZVRB-ONXXMXGDSA-N 2 0 293.480 2.856 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])Oc1ccccc1 ZINC000422975655 382992470 /nfs/dbraw/zinc/99/24/70/382992470.db2.gz BRXFSCOTLAZDRA-YCPHGPKFSA-N 2 0 262.397 2.561 20 0 CFADRP CCC[N@@H+]1CC[C@H](CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422978605 382993667 /nfs/dbraw/zinc/99/36/67/382993667.db2.gz ZTFBTRGYVIJSIE-BBWFWOEESA-N 2 0 281.488 2.619 20 0 CFADRP CCCC(O)(CCC)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422978927 382993890 /nfs/dbraw/zinc/99/38/90/382993890.db2.gz KZJPLLDCOLECEW-RDJZCZTQSA-N 2 0 292.467 2.866 20 0 CFADRP CC(C)CC[C@](C)(O)C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422981402 382994854 /nfs/dbraw/zinc/99/48/54/382994854.db2.gz SOYQPULPAANIOA-JQHSSLGASA-N 2 0 292.467 2.722 20 0 CFADRP COc1cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])ccc1F ZINC000423024386 383017682 /nfs/dbraw/zinc/01/76/82/383017682.db2.gz LQZYVJCLTVRHFZ-MNOVXSKESA-N 2 0 254.349 2.612 20 0 CFADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549040564 382996546 /nfs/dbraw/zinc/99/65/46/382996546.db2.gz BJSGWTZMALDMFU-SRVCANOKSA-N 2 0 292.467 2.533 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000422990917 382999342 /nfs/dbraw/zinc/99/93/42/382999342.db2.gz AJRFVCUUSRBWDX-BRWVUGGUSA-N 3 0 281.488 2.604 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H](O)Cc1ccccc1 ZINC000422993504 383000556 /nfs/dbraw/zinc/00/05/56/383000556.db2.gz FTOIDRXQBRZXNO-NOENWEJRSA-N 2 0 296.414 2.713 20 0 CFADRP CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422995499 383001901 /nfs/dbraw/zinc/00/19/01/383001901.db2.gz KFSDJCMWJRBNCV-GVDBMIGSSA-N 2 0 281.488 2.604 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000422999049 383003371 /nfs/dbraw/zinc/00/33/71/383003371.db2.gz DNVVWETYWHVDPG-INMHGKMJSA-N 2 0 276.424 2.871 20 0 CFADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(Cc2ccccc2)CC1 ZINC000423002191 383003828 /nfs/dbraw/zinc/00/38/28/383003828.db2.gz YMGISRHXZGZKFA-HZPDHXFCSA-N 2 0 258.409 2.726 20 0 CFADRP c1ccc(CC2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423001743 383004143 /nfs/dbraw/zinc/00/41/43/383004143.db2.gz XRQFTXYITYXRLK-SJPCQFCGSA-N 2 0 270.420 2.882 20 0 CFADRP CC[NH2+]CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000579341949 383004487 /nfs/dbraw/zinc/00/44/87/383004487.db2.gz HMKOVWMLWIUHNB-INIZCTEOSA-N 2 0 266.404 2.982 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423004362 383007505 /nfs/dbraw/zinc/00/75/05/383007505.db2.gz OTINRNMULDHQQP-ZFWWWQNUSA-N 2 0 282.815 2.574 20 0 CFADRP COc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c2ccccc2n1 ZINC000423004311 383007591 /nfs/dbraw/zinc/00/75/91/383007591.db2.gz JQWGKSBHHXIZOP-WBVHZDCISA-N 2 0 299.418 2.993 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423006299 383008252 /nfs/dbraw/zinc/00/82/52/383008252.db2.gz UYTZRSNBAQXBHZ-BBRMVZONSA-N 2 0 296.842 2.834 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423006301 383008713 /nfs/dbraw/zinc/00/87/13/383008713.db2.gz UYTZRSNBAQXBHZ-CZUORRHYSA-N 2 0 296.842 2.834 20 0 CFADRP CC(C)CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000549524269 383009319 /nfs/dbraw/zinc/00/93/19/383009319.db2.gz JGHPIPZDECKPMX-SFHVURJKSA-N 2 0 295.515 2.818 20 0 CFADRP COC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000423012468 383010302 /nfs/dbraw/zinc/01/03/02/383010302.db2.gz DCIGTCXNJSMPHC-KOHJWAIASA-N 2 0 284.350 2.512 20 0 CFADRP CC[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423012202 383010342 /nfs/dbraw/zinc/01/03/42/383010342.db2.gz KHBQSCGRAQLYPX-OLMNPRSZSA-N 2 0 290.451 2.994 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1(C)C ZINC000423013421 383011080 /nfs/dbraw/zinc/01/10/80/383011080.db2.gz FYZGNLXGPBPISJ-QPHLWMPCSA-N 2 0 274.408 2.780 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCC2Cc3ccccc3C2)CC1 ZINC000423014230 383011163 /nfs/dbraw/zinc/01/11/63/383011163.db2.gz OLYMXPCOCSPCPK-UHFFFAOYSA-N 2 0 272.436 2.899 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000423016744 383012252 /nfs/dbraw/zinc/01/22/52/383012252.db2.gz UMNTWWJENVRIKU-ZIAGYGMSSA-N 2 0 264.413 2.591 20 0 CFADRP CC[C@H]([NH2+]CCc1sccc1C)[C@@H]1CCC[NH2+]1 ZINC000423014988 383012482 /nfs/dbraw/zinc/01/24/82/383012482.db2.gz JTVFIRMECZBJEN-STQMWFEESA-N 2 0 252.427 2.719 20 0 CFADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423017801 383013381 /nfs/dbraw/zinc/01/33/81/383013381.db2.gz PPCAEHKHBHZREW-ASHKBJFXSA-N 2 0 268.376 2.617 20 0 CFADRP CSCc1cnc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000549726407 383013474 /nfs/dbraw/zinc/01/34/74/383013474.db2.gz MZELIXZQLKSPKM-LBPRGKRZSA-N 2 0 299.509 2.826 20 0 CFADRP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000423017294 383013628 /nfs/dbraw/zinc/01/36/28/383013628.db2.gz OIUHFMNBXVMKFE-TWMKSMIVSA-N 2 0 294.483 2.684 20 0 CFADRP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423017103 383013650 /nfs/dbraw/zinc/01/36/50/383013650.db2.gz OCAMAWHMAJTCRB-SATMZBOOSA-N 2 0 292.398 2.774 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423017856 383014168 /nfs/dbraw/zinc/01/41/68/383014168.db2.gz XGDGJODBLBRBTF-QAPCUYQASA-N 2 0 298.434 2.724 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423016936 383014294 /nfs/dbraw/zinc/01/42/94/383014294.db2.gz UYSKMRUFYFZBLK-GVAFMPQTSA-N 2 0 295.858 2.801 20 0 CFADRP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423017101 383014310 /nfs/dbraw/zinc/01/43/10/383014310.db2.gz OCAMAWHMAJTCRB-CHUYQPBYSA-N 2 0 292.398 2.774 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423483526 532966270 /nfs/dbraw/zinc/96/62/70/532966270.db2.gz QDOBVTXJNNKGSJ-KGLIPLIRSA-N 2 0 262.397 2.878 20 0 CFADRP COc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423019819 383015432 /nfs/dbraw/zinc/01/54/32/383015432.db2.gz XHFVOIIJWSVVCH-YESZJQIVSA-N 2 0 292.398 2.845 20 0 CFADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443055217 382965640 /nfs/dbraw/zinc/96/56/40/382965640.db2.gz AYNJOGOYQCZINZ-BZUAXINKSA-N 2 0 268.445 2.643 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000578977072 382971343 /nfs/dbraw/zinc/97/13/43/382971343.db2.gz KISBUGOXJGGKOC-SJORKVTESA-N 2 0 296.418 2.751 20 0 CFADRP C[C@H](C1C[NH2+]C1)[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000423048822 383030499 /nfs/dbraw/zinc/03/04/99/383030499.db2.gz JEPDPAHMQWMYIM-GFCCVEGCSA-N 2 0 294.389 2.827 20 0 CFADRP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000245752791 383032601 /nfs/dbraw/zinc/03/26/01/383032601.db2.gz HHAQBRSDVFBJIB-QZTJIDSGSA-N 2 0 288.435 2.749 20 0 CFADRP C[C@H]([NH2+][C@@H]1c2ccccc2CCC[C@H]1C)C1C[NH2+]C1 ZINC000423053703 383033223 /nfs/dbraw/zinc/03/32/23/383033223.db2.gz SRLREHGPPNUGOY-IGCXYCKISA-N 2 0 258.409 2.898 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423054529 383033286 /nfs/dbraw/zinc/03/32/86/383033286.db2.gz UVNWAXQZMQLKBL-XOKHGSTOSA-N 2 0 274.408 2.585 20 0 CFADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000423055663 383033969 /nfs/dbraw/zinc/03/39/69/383033969.db2.gz WUUOEDFTFBDYNK-UGQVUOCMSA-N 2 0 262.397 2.622 20 0 CFADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCSCc1ccccc1 ZINC000579607645 383034421 /nfs/dbraw/zinc/03/44/21/383034421.db2.gz LDIKCDOSXNZFSU-UKRRQHHQSA-N 2 0 264.438 2.731 20 0 CFADRP Cc1ccc2c(CC[NH2+][C@@H](C)CCC[NH3+])cn(C)c2c1 ZINC000423058654 383035909 /nfs/dbraw/zinc/03/59/09/383035909.db2.gz JZQSADZMCWXZAW-AWEZNQCLSA-N 2 0 273.424 2.746 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)[C@@H](C)C2 ZINC000423390752 383078370 /nfs/dbraw/zinc/07/83/70/383078370.db2.gz KJRSTTWFNXCFEB-NSNWQYSKSA-N 2 0 258.409 2.816 20 0 CFADRP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423062721 383036730 /nfs/dbraw/zinc/03/67/30/383036730.db2.gz UVBGDVKSUKVSST-ZBFHGGJFSA-N 2 0 275.440 2.748 20 0 CFADRP CCSc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000423062164 383036837 /nfs/dbraw/zinc/03/68/37/383036837.db2.gz MKJZBHNBULOWBZ-ZIAGYGMSSA-N 2 0 279.453 2.801 20 0 CFADRP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423063122 383037044 /nfs/dbraw/zinc/03/70/44/383037044.db2.gz VNKCOGSKQVKFFN-ATZDWAIDSA-N 2 0 296.414 2.633 20 0 CFADRP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)CCC[NH3+])N(C)C ZINC000423063865 383038655 /nfs/dbraw/zinc/03/86/55/383038655.db2.gz XNOUULMFEONSGM-VYDXJSESSA-N 2 0 277.456 2.703 20 0 CFADRP CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423064778 383038768 /nfs/dbraw/zinc/03/87/68/383038768.db2.gz AIRFCKCHSULZQF-ARFHVFGLSA-N 2 0 282.472 2.828 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(OC)c1 ZINC000423388203 383078486 /nfs/dbraw/zinc/07/84/86/383078486.db2.gz IHHNAHYACUDTMQ-RCBQFDQVSA-N 2 0 262.397 2.734 20 0 CFADRP CCCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000423068666 383040137 /nfs/dbraw/zinc/04/01/37/383040137.db2.gz KKKMBYVYEKCHJS-KGLIPLIRSA-N 2 0 264.413 2.999 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000423093449 383041219 /nfs/dbraw/zinc/04/12/19/383041219.db2.gz HMRGHBBZDYNTGE-GOEBONIOSA-N 3 0 267.461 2.501 20 0 CFADRP [NH3+][C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084471 383041308 /nfs/dbraw/zinc/04/13/08/383041308.db2.gz IARBTKCPPLIDEN-ROUUACIJSA-N 3 0 285.435 2.595 20 0 CFADRP CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423084591 383041485 /nfs/dbraw/zinc/04/14/85/383041485.db2.gz ILLBJCPHRXZBIA-NXOAAHMSSA-N 3 0 293.499 2.617 20 0 CFADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000423388316 383078730 /nfs/dbraw/zinc/07/87/30/383078730.db2.gz IOAWAHLUXLXRFK-SNPRPXQTSA-N 2 0 292.423 2.743 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423119119 383043780 /nfs/dbraw/zinc/04/37/80/383043780.db2.gz DGXIABSLQZXAME-ZENOOKHLSA-N 2 0 296.842 2.523 20 0 CFADRP C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)[C@H]1CCC[NH2+]1 ZINC000423126854 383044188 /nfs/dbraw/zinc/04/41/88/383044188.db2.gz JDTPLHLFWDMVBN-JHJVBQTASA-N 2 0 260.372 2.932 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000579701921 383044435 /nfs/dbraw/zinc/04/44/35/383044435.db2.gz PDOCNBFYGYNJHT-OLMNPRSZSA-N 2 0 296.418 2.673 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000423137971 383044899 /nfs/dbraw/zinc/04/48/99/383044899.db2.gz IMEKZZBUOHGZGL-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000423146963 383045029 /nfs/dbraw/zinc/04/50/29/383045029.db2.gz QUYYONJWIYZTSQ-SNVBAGLBSA-N 2 0 271.355 2.935 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000579710468 383045650 /nfs/dbraw/zinc/04/56/50/383045650.db2.gz IBPIZOLROTZNFC-XJKSGUPXSA-N 2 0 289.423 2.909 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000423185582 383048632 /nfs/dbraw/zinc/04/86/32/383048632.db2.gz NYSUGMCCFLESRD-DJIMGWMZSA-N 2 0 291.414 2.654 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423226408 383051456 /nfs/dbraw/zinc/05/14/56/383051456.db2.gz QOYHRGXRYWIKRA-TVQRCGJNSA-N 2 0 283.213 2.763 20 0 CFADRP C[C@@H]1C[C@H](NCC[NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000423265908 383054467 /nfs/dbraw/zinc/05/44/67/383054467.db2.gz BJNBBYHZVPGPMT-ZBFHGGJFSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@H](N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]1 ZINC000423392674 383079413 /nfs/dbraw/zinc/07/94/13/383079413.db2.gz LPQZINZYCVSJNM-KKXDTOCCSA-N 2 0 283.419 2.570 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423275911 383055674 /nfs/dbraw/zinc/05/56/74/383055674.db2.gz MHPUINFQKPUHKA-PVAVHDDUSA-N 2 0 275.440 2.900 20 0 CFADRP Fc1cncc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423276140 383055969 /nfs/dbraw/zinc/05/59/69/383055969.db2.gz OEGNDGNSNTUQCQ-LRDDRELGSA-N 2 0 277.387 2.651 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2C)C1(C)C ZINC000423393483 383079460 /nfs/dbraw/zinc/07/94/60/383079460.db2.gz MHVCIVDEHCRZCH-LJISPDSOSA-N 2 0 268.445 2.558 20 0 CFADRP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000423294230 383056929 /nfs/dbraw/zinc/05/69/29/383056929.db2.gz BKLUAHVCNBNWBK-RNCFNFMXSA-N 2 0 283.213 2.621 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2C)C12CCCCC2 ZINC000423392170 383079502 /nfs/dbraw/zinc/07/95/02/383079502.db2.gz LGJUCTWHUVOJPH-LVQVYYBASA-N 2 0 280.456 2.702 20 0 CFADRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000423319171 383058319 /nfs/dbraw/zinc/05/83/19/383058319.db2.gz DAOIIJJPNGDAKF-BZUAXINKSA-N 2 0 280.456 2.561 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(C)C ZINC000423326898 383058508 /nfs/dbraw/zinc/05/85/08/383058508.db2.gz KTFFBERNGLYOTC-KGLIPLIRSA-N 2 0 268.445 2.558 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(CC)CC ZINC000423339494 383059991 /nfs/dbraw/zinc/05/99/91/383059991.db2.gz VGEGPZBXKSKDOU-GJZGRUSLSA-N 2 0 282.472 2.950 20 0 CFADRP CC(C)[C@@H]1CC[C@@H]([NH2+]CC2=CC[NH2+]CC2)C[C@@H]1C ZINC000423349390 383060029 /nfs/dbraw/zinc/06/00/29/383060029.db2.gz WLOPELCUQJIWRZ-IMJJTQAJSA-N 2 0 250.430 2.957 20 0 CFADRP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423354416 383060931 /nfs/dbraw/zinc/06/09/31/383060931.db2.gz CWMQXMQFWHGSDY-RBSFLKMASA-N 2 0 268.445 2.558 20 0 CFADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423354413 383061421 /nfs/dbraw/zinc/06/14/21/383061421.db2.gz CWMQXMQFWHGSDY-KFWWJZLASA-N 2 0 268.445 2.558 20 0 CFADRP c1cncc([C@H]2CCC[C@@H]([NH2+]CC3=CC[NH2+]CC3)C2)c1 ZINC000423353307 383061493 /nfs/dbraw/zinc/06/14/93/383061493.db2.gz LQCRPWHCVREGTI-DOTOQJQBSA-N 2 0 271.408 2.617 20 0 CFADRP c1cncc([C@@H]2CCC[C@H]([NH2+]CC[C@H]3CCC[NH2+]3)C2)c1 ZINC000423359529 383063339 /nfs/dbraw/zinc/06/33/39/383063339.db2.gz KURYFVQQCZGFGV-OIISXLGYSA-N 2 0 273.424 2.840 20 0 CFADRP C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000423365061 383066090 /nfs/dbraw/zinc/06/60/90/383066090.db2.gz CTPGKFQQJNIWOY-NIKGAXFTSA-N 2 0 297.446 2.912 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(-n2ccnc2)cc1 ZINC000423366094 383066290 /nfs/dbraw/zinc/06/62/90/383066290.db2.gz BMXVLCRBWOKJLR-NUEKZKHPSA-N 2 0 284.407 2.793 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000423369496 383067671 /nfs/dbraw/zinc/06/76/71/383067671.db2.gz DXKDGDKANZQLRZ-MJBXVCDLSA-N 2 0 292.423 2.933 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423370062 383068708 /nfs/dbraw/zinc/06/87/08/383068708.db2.gz UBJYAJLHDDNVDE-TZMCWYRMSA-N 2 0 262.422 2.955 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423371261 383068756 /nfs/dbraw/zinc/06/87/56/383068756.db2.gz FHLXPOUEGJNTEC-SQWLQELKSA-N 2 0 261.413 2.523 20 0 CFADRP COc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000423372494 383070184 /nfs/dbraw/zinc/07/01/84/383070184.db2.gz VTWWCUQMGKDAKZ-ZIAGYGMSSA-N 2 0 292.423 2.805 20 0 CFADRP FC(F)(F)C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000552098575 383071069 /nfs/dbraw/zinc/07/10/69/383071069.db2.gz IFJLUOYIXGTYAY-UHFFFAOYSA-N 2 0 276.346 2.793 20 0 CFADRP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423378584 383072067 /nfs/dbraw/zinc/07/20/67/383072067.db2.gz CJOJPHHZKRVHJC-MRXNPFEDSA-N 2 0 294.414 2.883 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423378502 383072534 /nfs/dbraw/zinc/07/25/34/383072534.db2.gz LDKMMXCZVQOAGB-WLGNDBIMSA-N 2 0 258.409 2.909 20 0 CFADRP C[NH+](C)C1CC(NCc2cccc(Br)c2)C1 ZINC000579977873 383073867 /nfs/dbraw/zinc/07/38/67/383073867.db2.gz KTNRRNWIYKMFOK-UHFFFAOYSA-N 2 0 283.213 2.631 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc2c(c1)COC2 ZINC000423379730 383073944 /nfs/dbraw/zinc/07/39/44/383073944.db2.gz NBVNWRVHGWCRBV-XHBSWPGZSA-N 2 0 260.381 2.508 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000423382611 383074556 /nfs/dbraw/zinc/07/45/56/383074556.db2.gz DLLOZCDGNUBGPG-BYCMXARLSA-N 2 0 250.361 2.864 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423030424 383019333 /nfs/dbraw/zinc/01/93/33/383019333.db2.gz JRAGUHDICQPRRV-CHWSQXEVSA-N 2 0 286.341 2.896 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423030426 383020076 /nfs/dbraw/zinc/02/00/76/383020076.db2.gz JRAGUHDICQPRRV-QWHCGFSZSA-N 2 0 286.341 2.896 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000423028798 383020127 /nfs/dbraw/zinc/02/01/27/383020127.db2.gz HEIQOYMOEYPGRT-GXFFZTMASA-N 2 0 286.341 2.624 20 0 CFADRP COC1CCC(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423032153 383021005 /nfs/dbraw/zinc/02/10/05/383021005.db2.gz DYHOYFIJOGPULS-GRAKBVBRSA-N 2 0 268.445 2.689 20 0 CFADRP C[C@@H]([NH2+]CCCNc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000423031224 383021077 /nfs/dbraw/zinc/02/10/77/383021077.db2.gz KTRWAEGTAROBSK-HIFRSBDPSA-N 2 0 279.403 2.748 20 0 CFADRP Cc1csc([C@H](C)C[NH2+]C2CCC(C[NH3+])CC2)n1 ZINC000423031765 383021435 /nfs/dbraw/zinc/02/14/35/383021435.db2.gz DLTBIFNCPBJCIN-QFWMXSHPSA-N 2 0 267.442 2.662 20 0 CFADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CCCCC1 ZINC000423031569 383021509 /nfs/dbraw/zinc/02/15/09/383021509.db2.gz XDBKCKYBDIUKKC-CWRNSKLLSA-N 2 0 282.472 2.935 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CCc1ccc(F)c(F)c1F ZINC000423035228 383022714 /nfs/dbraw/zinc/02/27/14/383022714.db2.gz RFQDFJRRYGDFOY-SNVBAGLBSA-N 2 0 274.330 2.754 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423036763 383023344 /nfs/dbraw/zinc/02/33/44/383023344.db2.gz LMJMUTCQYUTSJR-YYIAUSFCSA-N 2 0 280.456 2.846 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C[C@H]1CCCCO1 ZINC000423036758 383023382 /nfs/dbraw/zinc/02/33/82/383023382.db2.gz LMJMUTCQYUTSJR-QBPKDAKJSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000579495883 383023500 /nfs/dbraw/zinc/02/35/00/383023500.db2.gz PTISKTURKPTCFI-FWEDZOCSSA-N 2 0 270.420 2.895 20 0 CFADRP C[C@H](CCN[C@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000423037678 383023749 /nfs/dbraw/zinc/02/37/49/383023749.db2.gz WOLLEHXIRGEIEG-PMPSAXMXSA-N 2 0 267.461 2.501 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423036026 383024086 /nfs/dbraw/zinc/02/40/86/383024086.db2.gz KLTZAKXFHBNFSP-LOWVWBTDSA-N 2 0 267.442 2.533 20 0 CFADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCC2 ZINC000423039378 383025267 /nfs/dbraw/zinc/02/52/67/383025267.db2.gz FGQCMOKAXSDMCC-PWSUYJOCSA-N 2 0 267.442 2.936 20 0 CFADRP Cc1csc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423042461 383026046 /nfs/dbraw/zinc/02/60/46/383026046.db2.gz ZIOSMPUFEIJFNE-KGYLQXTDSA-N 2 0 267.442 2.662 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000423041985 383026291 /nfs/dbraw/zinc/02/62/91/383026291.db2.gz KAXHVVDAYUYRHT-WDMOLILDSA-N 2 0 266.360 2.755 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423044877 383027485 /nfs/dbraw/zinc/02/74/85/383027485.db2.gz BYZMFYDQQYWNME-RKVPGOIHSA-N 2 0 288.435 2.832 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000423494366 383120460 /nfs/dbraw/zinc/12/04/60/383120460.db2.gz RXSUNWOFSPJRRK-IVMMDQJWSA-N 2 0 276.449 2.734 20 0 CFADRP CCc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C(C)C)cc1 ZINC000423495576 383121243 /nfs/dbraw/zinc/12/12/43/383121243.db2.gz UVPUIAPSTUZJAR-ZWKOTPCHSA-N 2 0 290.451 2.914 20 0 CFADRP C[C@@H](CC(C)(C)C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423501699 383123710 /nfs/dbraw/zinc/12/37/10/383123710.db2.gz BQVVBPZXWGTUGL-FHERZECASA-N 2 0 281.488 2.617 20 0 CFADRP Clc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000423542240 383125962 /nfs/dbraw/zinc/12/59/62/383125962.db2.gz MFDHJWDRLRFGJZ-ODVANORSSA-N 2 0 290.838 2.785 20 0 CFADRP c1cncc([C@H]([NH2+]CCC2=CC[NH2+]CC2)C2CCC2)c1 ZINC000423539866 383126542 /nfs/dbraw/zinc/12/65/42/383126542.db2.gz PMBYCJLGSUYBKJ-QGZVFWFLSA-N 2 0 271.408 2.822 20 0 CFADRP C1=C(CC[NH2+]C2CCC3(CCOCC3)CC2)CC[NH2+]C1 ZINC000423545581 383127491 /nfs/dbraw/zinc/12/74/91/383127491.db2.gz YAPQXLYDQNVKGK-UHFFFAOYSA-N 2 0 278.440 2.625 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC2(OC)CCC2)[C@@H](C)C1 ZINC000339038521 383129220 /nfs/dbraw/zinc/12/92/20/383129220.db2.gz XTILPEQRGQUOGU-GJZGRUSLSA-N 2 0 268.445 2.608 20 0 CFADRP Cc1ccc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247016289 383132662 /nfs/dbraw/zinc/13/26/62/383132662.db2.gz MPMGEJFIFNHJBM-HOTGVXAUSA-N 2 0 276.424 2.836 20 0 CFADRP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000247022290 383133651 /nfs/dbraw/zinc/13/36/51/383133651.db2.gz LUXLFPQJJYABQX-DOTOQJQBSA-N 2 0 260.425 2.918 20 0 CFADRP CCC(CC)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000247077192 383140548 /nfs/dbraw/zinc/14/05/48/383140548.db2.gz OPJNAESPVDNCEG-SZMVWBNQSA-N 2 0 295.515 2.959 20 0 CFADRP Oc1ccc(CCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339076993 383140670 /nfs/dbraw/zinc/14/06/70/383140670.db2.gz XFKPIBMHNBKYFM-HZPDHXFCSA-N 2 0 274.408 2.541 20 0 CFADRP COc1cc(C)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449031723 383142838 /nfs/dbraw/zinc/14/28/38/383142838.db2.gz VWOJJRCGEOQBRQ-GDBMZVCRSA-N 2 0 276.424 2.918 20 0 CFADRP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000423401232 383083157 /nfs/dbraw/zinc/08/31/57/383083157.db2.gz XAVDVILRFKJBLU-IHRRRGAJSA-N 2 0 292.423 2.803 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423402130 383083346 /nfs/dbraw/zinc/08/33/46/383083346.db2.gz RHGWOIWRDVJRFC-XIRDDKMYSA-N 2 0 260.425 2.841 20 0 CFADRP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423400303 383083461 /nfs/dbraw/zinc/08/34/61/383083461.db2.gz QFJHCVTVVUUHLF-IOASZLSFSA-N 2 0 272.392 2.951 20 0 CFADRP COCC1(C[NH2+][C@@H](C)CCC(C)(C)C)CC[NH2+]CC1 ZINC000423411942 383088040 /nfs/dbraw/zinc/08/80/40/383088040.db2.gz VVQXCGLTKAHVKB-AWEZNQCLSA-N 2 0 270.461 2.807 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000423416060 383089234 /nfs/dbraw/zinc/08/92/34/383089234.db2.gz BPRVKOWKRNNFJF-IHRRRGAJSA-N 2 0 290.407 2.831 20 0 CFADRP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2c(c1)NCCC2 ZINC000423418230 383089938 /nfs/dbraw/zinc/08/99/38/383089938.db2.gz UHDUIRIXMFWBPB-HOTGVXAUSA-N 2 0 285.435 2.761 20 0 CFADRP C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)COC2 ZINC000423422578 383091061 /nfs/dbraw/zinc/09/10/61/383091061.db2.gz BLESCTHWWKSVDN-OCBCSQNSSA-N 2 0 286.419 2.756 20 0 CFADRP CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1C ZINC000423427018 383091839 /nfs/dbraw/zinc/09/18/39/383091839.db2.gz FLMRGDFKBDXYOJ-XFBWCDHKSA-N 2 0 290.455 2.559 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccncc1 ZINC000423433021 383093719 /nfs/dbraw/zinc/09/37/19/383093719.db2.gz MTELOTYRNDKXRF-HRCADAONSA-N 2 0 259.397 2.510 20 0 CFADRP C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000423430781 383093805 /nfs/dbraw/zinc/09/38/05/383093805.db2.gz IJQFIHINRYLSQN-DUVNUKRYSA-N 2 0 298.434 2.612 20 0 CFADRP CN1CC[NH+](CCCC[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000584344575 383095861 /nfs/dbraw/zinc/09/58/61/383095861.db2.gz DUZJQHTXCLKFCU-UHFFFAOYSA-N 2 0 293.499 2.717 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1F ZINC000423440894 383096880 /nfs/dbraw/zinc/09/68/80/383096880.db2.gz PCSJEKZXQULEBJ-DIOULYMOSA-N 2 0 292.398 2.873 20 0 CFADRP CC[C@H]([NH3+])CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423442386 383098078 /nfs/dbraw/zinc/09/80/78/383098078.db2.gz BRAZDEITJZKRPX-AWEZNQCLSA-N 2 0 283.504 2.993 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cnn1C(C)C ZINC000423451251 383100745 /nfs/dbraw/zinc/10/07/45/383100745.db2.gz IHDHLXMSMJERIA-NWDGAFQWSA-N 2 0 252.406 2.550 20 0 CFADRP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423453133 383100923 /nfs/dbraw/zinc/10/09/23/383100923.db2.gz ADDKJZTYPDPBAD-IHRRRGAJSA-N 2 0 292.423 2.872 20 0 CFADRP CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423453024 383101122 /nfs/dbraw/zinc/10/11/22/383101122.db2.gz ZXNJWMIYAPUPIF-QCEMKRCNSA-N 2 0 250.430 2.933 20 0 CFADRP CC(C)[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423456852 383102762 /nfs/dbraw/zinc/10/27/62/383102762.db2.gz DUZCJNDWTXJWOF-LZWOXQAQSA-N 2 0 264.413 2.553 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000423457665 383103102 /nfs/dbraw/zinc/10/31/02/383103102.db2.gz JADBNCJAECNMQE-GUTXKFCHSA-N 2 0 290.407 2.626 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000423462560 383104528 /nfs/dbraw/zinc/10/45/28/383104528.db2.gz KSCWMTFGBMZPMA-ZFWWWQNUSA-N 2 0 250.386 2.719 20 0 CFADRP CC[C@@H]([NH3+])C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423463956 383105279 /nfs/dbraw/zinc/10/52/79/383105279.db2.gz LNXOGEAYYASXMI-DNOWBOINSA-N 2 0 254.418 2.584 20 0 CFADRP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)c1nc2ccccc2s1 ZINC000423463847 383105490 /nfs/dbraw/zinc/10/54/90/383105490.db2.gz WEDQSXZQCYQWJT-CYRTVHNOSA-N 2 0 287.432 2.596 20 0 CFADRP Fc1cncc([C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423466398 383106101 /nfs/dbraw/zinc/10/61/01/383106101.db2.gz AMRFPZHTDKALMG-JKSUJKDBSA-N 2 0 277.387 2.794 20 0 CFADRP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000423465116 383106412 /nfs/dbraw/zinc/10/64/12/383106412.db2.gz WMMQEEGETOBZKU-ZIAGYGMSSA-N 2 0 294.439 2.660 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000423471796 383108369 /nfs/dbraw/zinc/10/83/69/383108369.db2.gz QAAPNPFEVKZZGZ-DYEKYZERSA-N 2 0 250.386 2.514 20 0 CFADRP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423473812 383109424 /nfs/dbraw/zinc/10/94/24/383109424.db2.gz OGFMFKJATKYBGC-KCQAQPDRSA-N 2 0 261.413 2.812 20 0 CFADRP Cc1cc(N)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423472482 383109427 /nfs/dbraw/zinc/10/94/27/383109427.db2.gz FXJAOKKXEIYNCO-KSSFIOAISA-N 2 0 283.419 2.625 20 0 CFADRP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423476745 383111973 /nfs/dbraw/zinc/11/19/73/383111973.db2.gz RFFHRCWGZQDWNG-OIISXLGYSA-N 2 0 275.440 2.900 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000423480532 383112875 /nfs/dbraw/zinc/11/28/75/383112875.db2.gz NKCAMKFQPZNGQZ-UKRRQHHQSA-N 2 0 292.423 2.887 20 0 CFADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000423478984 383113147 /nfs/dbraw/zinc/11/31/47/383113147.db2.gz UZJNBDFXRMMMKY-DYEKYZERSA-N 2 0 280.412 2.523 20 0 CFADRP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000246861292 383113488 /nfs/dbraw/zinc/11/34/88/383113488.db2.gz CALVZAVOFOAVQR-JQHSSLGASA-N 2 0 289.467 2.670 20 0 CFADRP C(C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C[C@@H]1CCC[NH2+]1 ZINC000423481921 383114416 /nfs/dbraw/zinc/11/44/16/383114416.db2.gz ORSFQEPWHFXTLA-WCXIOVBPSA-N 2 0 280.456 2.704 20 0 CFADRP COc1ccccc1[C@@H](C)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423483528 383115072 /nfs/dbraw/zinc/11/50/72/383115072.db2.gz QDOBVTXJNNKGSJ-ZIAGYGMSSA-N 2 0 262.397 2.878 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423487420 383116423 /nfs/dbraw/zinc/11/64/23/383116423.db2.gz UHWPZBZJXKLVDD-HIFRSBDPSA-N 2 0 262.397 2.878 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423489794 383117928 /nfs/dbraw/zinc/11/79/28/383117928.db2.gz GWLNHEGLFXXOKA-YHYOWMERSA-N 2 0 262.372 2.776 20 0 CFADRP Cc1c([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cnn1C(C)C ZINC000423490127 383118019 /nfs/dbraw/zinc/11/80/19/383118019.db2.gz XKXJMVIUKIOLCV-UKRRQHHQSA-N 2 0 278.444 2.955 20 0 CFADRP Cc1noc(C2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)n1 ZINC000423491289 383118763 /nfs/dbraw/zinc/11/87/63/383118763.db2.gz YXJCMPNXSNBMNV-SHARSMKWSA-N 2 0 292.427 2.526 20 0 CFADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424083429 383176555 /nfs/dbraw/zinc/17/65/55/383176555.db2.gz XKFHFARDGKGWEJ-RDJZCZTQSA-N 2 0 297.487 2.554 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H](C)O1 ZINC000449126832 383180276 /nfs/dbraw/zinc/18/02/76/383180276.db2.gz VWMIDBFGQHFGDV-BZUAXINKSA-N 2 0 268.445 2.798 20 0 CFADRP CCc1nocc1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000339184387 383180432 /nfs/dbraw/zinc/18/04/32/383180432.db2.gz QSGYQKGIICWGBQ-CQSZACIVSA-N 2 0 279.428 2.839 20 0 CFADRP [NH3+]C[C@H]1CC[N@H+](CCCCCOc2ccccc2)C1 ZINC000339413106 383195290 /nfs/dbraw/zinc/19/52/90/383195290.db2.gz SXLWYOHKVOMQTR-OAHLLOKOSA-N 2 0 262.397 2.516 20 0 CFADRP C([NH2+][C@@H]1CCOC2(CCC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000449285303 383200106 /nfs/dbraw/zinc/20/01/06/383200106.db2.gz DBCZTHQSXOTQML-OAHLLOKOSA-N 2 0 278.440 2.552 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422805778 532973406 /nfs/dbraw/zinc/97/34/06/532973406.db2.gz JNNJGBUBHGKPKI-MFKMUULPSA-N 2 0 268.401 2.765 20 0 CFADRP Cc1cccc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000449043882 383150617 /nfs/dbraw/zinc/15/06/17/383150617.db2.gz AIDCMMLWKPDWLK-MSOLQXFVSA-N 2 0 272.436 2.954 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000247239663 383155178 /nfs/dbraw/zinc/15/51/78/383155178.db2.gz WSOFODPXYLOVGA-XDNAFOTISA-N 2 0 295.515 2.817 20 0 CFADRP c1cc2c(ncnc2NCCCc2nc3ccccc3[nH]2)[nH]1 ZINC000339132665 383160606 /nfs/dbraw/zinc/16/06/06/383160606.db2.gz JONASUFCLZUJMT-UHFFFAOYSA-N 2 0 292.346 2.831 20 0 CFADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000449078339 383164243 /nfs/dbraw/zinc/16/42/43/383164243.db2.gz LYOKVSCLVRNPDY-OAHLLOKOSA-N 2 0 291.439 2.759 20 0 CFADRP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)C1CCCC1 ZINC000449079913 383165066 /nfs/dbraw/zinc/16/50/66/383165066.db2.gz RAFCCUMSMRQIFB-HNNXBMFYSA-N 2 0 256.434 2.513 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CCCC1 ZINC000449078741 383165580 /nfs/dbraw/zinc/16/55/80/383165580.db2.gz MVUWLFAZERSLHF-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)[C@H](C)C1 ZINC000247353330 383166153 /nfs/dbraw/zinc/16/61/53/383166153.db2.gz PMZLCCFHUWSMSJ-FMKPAKJESA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H]1CSC[C@H]1[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000449083012 383168275 /nfs/dbraw/zinc/16/82/75/383168275.db2.gz RQZFHDJVIQIIED-LSDHHAIUSA-N 2 0 270.486 2.840 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCOCc2ccc(Cl)cc2)C1 ZINC000567487378 383281067 /nfs/dbraw/zinc/28/10/67/383281067.db2.gz LKDIBZCGOFATRE-CABCVRRESA-N 2 0 282.815 2.716 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC3CCCC3)CC[C@H]21 ZINC000248162117 383216062 /nfs/dbraw/zinc/21/60/62/383216062.db2.gz SIJNOFLKPHHYIS-HZPDHXFCSA-N 2 0 250.430 2.983 20 0 CFADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000566849977 383217481 /nfs/dbraw/zinc/21/74/81/383217481.db2.gz QEHSHIZRWWVSHP-CJNGLKHVSA-N 2 0 289.423 2.620 20 0 CFADRP CC/C=C/CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339664367 383279303 /nfs/dbraw/zinc/27/93/03/383279303.db2.gz APKGZSWHPXXQTD-NHIQPCQESA-N 2 0 280.456 2.916 20 0 CFADRP CSC1(C[NH2+][C@@H](C)Cc2ccoc2)CC[NH+](C)CC1 ZINC000449334329 383223562 /nfs/dbraw/zinc/22/35/62/383223562.db2.gz IXCRTDVXAJKDQZ-ZDUSSCGKSA-N 2 0 282.453 2.628 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566926525 383226901 /nfs/dbraw/zinc/22/69/01/383226901.db2.gz MZGGYFQLPFOUMG-BZUAXINKSA-N 3 0 267.461 2.501 20 0 CFADRP C(CC[NH2+][C@@H]1CCOC2(CCC2)C1)CC[NH+]1CCCC1 ZINC000449342859 383228354 /nfs/dbraw/zinc/22/83/54/383228354.db2.gz FSUWTBKDPPUIML-MRXNPFEDSA-N 2 0 280.456 2.944 20 0 CFADRP COCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393879 383233829 /nfs/dbraw/zinc/23/38/29/383233829.db2.gz FECIOQQZQOQXHZ-ZNMIVQPWSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000567103771 383241306 /nfs/dbraw/zinc/24/13/06/383241306.db2.gz OAZNTTBVASHXKL-CHWSQXEVSA-N 2 0 296.377 2.544 20 0 CFADRP CC[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000567889942 383327001 /nfs/dbraw/zinc/32/70/01/383327001.db2.gz NVLIDNYZXGABKK-GJZGRUSLSA-N 2 0 298.377 2.951 20 0 CFADRP FC(F)(F)CCCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889638 383327121 /nfs/dbraw/zinc/32/71/21/383327121.db2.gz FYLSSQXVPXTQAB-GFCCVEGCSA-N 2 0 264.335 2.795 20 0 CFADRP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000567890109 383327213 /nfs/dbraw/zinc/32/72/13/383327213.db2.gz MOJNKZRRNGXXDN-IAGOWNOFSA-N 2 0 296.414 2.760 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000567896457 383328473 /nfs/dbraw/zinc/32/84/73/383328473.db2.gz PFXWMGPZHSATCE-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000567895702 383328820 /nfs/dbraw/zinc/32/88/20/383328820.db2.gz USSLCDFLSFPHCF-ZACQAIPSSA-N 2 0 286.419 2.583 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)C1 ZINC000634732893 383334933 /nfs/dbraw/zinc/33/49/33/383334933.db2.gz RMSFFYQCQYNZQM-INIZCTEOSA-N 2 0 298.434 2.740 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732924 383335446 /nfs/dbraw/zinc/33/54/46/383335446.db2.gz RWFACNXOAKEYKB-CQSZACIVSA-N 2 0 262.397 2.563 20 0 CFADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733271 383335528 /nfs/dbraw/zinc/33/55/28/383335528.db2.gz BKRCZBYLGJKXPK-GDBMZVCRSA-N 2 0 290.451 2.994 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CC2CC2)C1 ZINC000339675065 383282825 /nfs/dbraw/zinc/28/28/25/383282825.db2.gz BYQVYSAKBKMVNQ-CVEARBPZSA-N 2 0 250.430 2.983 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000567515899 383283460 /nfs/dbraw/zinc/28/34/60/383283460.db2.gz IWOCCSUAQVNRIC-FGTMMUONSA-N 2 0 290.451 2.615 20 0 CFADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](CO)C3)CC2)C1 ZINC000449426253 383286623 /nfs/dbraw/zinc/28/66/23/383286623.db2.gz KGAJPAIILPPAFD-MVJTYMMSSA-N 2 0 294.483 2.780 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C12CCC2 ZINC000248745761 383287556 /nfs/dbraw/zinc/28/75/56/383287556.db2.gz AYZVLUGPCHTFFJ-BMRXWSCTSA-N 2 0 278.440 2.549 20 0 CFADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000449427802 383288330 /nfs/dbraw/zinc/28/83/30/383288330.db2.gz PLTXTWOLMDKKCD-LMSBXDPUSA-N 2 0 294.483 2.780 20 0 CFADRP CC(C)[C@@]1(CO)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000339709594 383294335 /nfs/dbraw/zinc/29/43/35/383294335.db2.gz DWESPLSARVLIPZ-KRWDZBQOSA-N 2 0 282.472 2.593 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC000459726005 383294903 /nfs/dbraw/zinc/29/49/03/383294903.db2.gz FWHJWLOACDRWSU-AWEZNQCLSA-N 2 0 250.361 2.647 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000459731739 383296093 /nfs/dbraw/zinc/29/60/93/383296093.db2.gz FQZXJKJKWOHGDS-FPCVCCKLSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)O1 ZINC000248880102 383301855 /nfs/dbraw/zinc/30/18/55/383301855.db2.gz GELSBTOPBISYJK-FGTMMUONSA-N 2 0 294.483 2.998 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccc2[nH]ccc21 ZINC000567723937 383307057 /nfs/dbraw/zinc/30/70/57/383307057.db2.gz CQBYQBDZDCIVIA-WBVHZDCISA-N 2 0 271.408 2.960 20 0 CFADRP CC1(C)C[C@H]([NH2+]CCCCC[NH+]2CCCC2)CCO1 ZINC000634683895 383312948 /nfs/dbraw/zinc/31/29/48/383312948.db2.gz BSXKSFZRKDEINC-OAHLLOKOSA-N 2 0 268.445 2.800 20 0 CFADRP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000567834066 383319825 /nfs/dbraw/zinc/31/98/25/383319825.db2.gz JDDAFMQHTJPXAV-MRXNPFEDSA-N 2 0 289.423 2.607 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc3ncccc13)C2 ZINC000634688392 383320435 /nfs/dbraw/zinc/32/04/35/383320435.db2.gz QXBKZYNVDIAPIF-YJBOKZPZSA-N 2 0 281.403 2.796 20 0 CFADRP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000249043443 383320469 /nfs/dbraw/zinc/32/04/69/383320469.db2.gz VKTLIGBFHPFRQX-NPYXIHBLSA-N 2 0 292.398 2.728 20 0 CFADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449479349 383320999 /nfs/dbraw/zinc/32/09/99/383320999.db2.gz MCMCGXZDMGEUFS-HNNXBMFYSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249048939 383321315 /nfs/dbraw/zinc/32/13/15/383321315.db2.gz WZPYHDHMYIJPND-OOKSDGMUSA-N 3 0 293.499 2.713 20 0 CFADRP COC(=O)C1CCC([NH2+]CCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000426026059 383394623 /nfs/dbraw/zinc/39/46/23/383394623.db2.gz ZAPJKLAUQRUFKL-PJPHBNEVSA-N 2 0 296.455 2.571 20 0 CFADRP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000340276300 383399005 /nfs/dbraw/zinc/39/90/05/383399005.db2.gz GGHBMHKUEIGZNH-QZTJIDSGSA-N 2 0 289.467 2.753 20 0 CFADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC000340276253 383399320 /nfs/dbraw/zinc/39/93/20/383399320.db2.gz FOIFRFOBSUKBGM-STQMWFEESA-N 2 0 260.372 2.695 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000252095255 383405192 /nfs/dbraw/zinc/40/51/92/383405192.db2.gz HSDJBDGRNPFEAL-VSZNYVQBSA-N 2 0 295.515 2.673 20 0 CFADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1CC(F)(F)C1 ZINC000450440892 383412549 /nfs/dbraw/zinc/41/25/49/383412549.db2.gz OTFPZFGAHABJGN-ZDUSSCGKSA-N 2 0 260.372 2.838 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(F)c3)CC2)C1 ZINC000568107526 383359798 /nfs/dbraw/zinc/35/97/98/383359798.db2.gz PWOLVQNLSKHFAK-LSDHHAIUSA-N 2 0 262.372 2.717 20 0 CFADRP CCCCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000249884431 383365759 /nfs/dbraw/zinc/36/57/59/383365759.db2.gz PFRNWAXLDNTBOP-ARFHVFGLSA-N 2 0 268.445 2.704 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000469200988 383366228 /nfs/dbraw/zinc/36/62/28/383366228.db2.gz BTVVDZWMSMVOKT-KSZLIROESA-N 2 0 295.515 2.961 20 0 CFADRP CC(C)n1cncc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000425325915 383367571 /nfs/dbraw/zinc/36/75/71/383367571.db2.gz NASORGOIHVKNRS-UHFFFAOYSA-N 2 0 290.455 2.772 20 0 CFADRP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C1(C)C ZINC000568181502 383369178 /nfs/dbraw/zinc/36/91/78/383369178.db2.gz VDRZAQFVCLWXHQ-DLBZAZTESA-N 2 0 290.451 2.567 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCOC1(C)C ZINC000340183464 383373261 /nfs/dbraw/zinc/37/32/61/383373261.db2.gz DHICMYIIEMVRIE-HUUCEWRRSA-N 2 0 268.445 2.798 20 0 CFADRP C(C[NH+]1CCCCCC1)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250833578 383381581 /nfs/dbraw/zinc/38/15/81/383381581.db2.gz JZNUGOIDHZGEJN-KZNAEPCWSA-N 2 0 293.499 2.763 20 0 CFADRP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000251065066 383384350 /nfs/dbraw/zinc/38/43/50/383384350.db2.gz IJZLFNVDAHADJG-UONOGXRCSA-N 2 0 292.423 2.571 20 0 CFADRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000475155776 383386192 /nfs/dbraw/zinc/38/61/92/383386192.db2.gz KLKIMWYEEDZWSA-SQNIBIBYSA-N 2 0 296.499 2.884 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2CC(F)(F)C2)C[C@H]1C ZINC000450471137 383425239 /nfs/dbraw/zinc/42/52/39/383425239.db2.gz VMMVQNUGOPCGKW-DGCLKSJQSA-N 2 0 260.372 2.836 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000568709000 383427821 /nfs/dbraw/zinc/42/78/21/383427821.db2.gz AXHATKBISJDDHW-INMHGKMJSA-N 2 0 276.424 2.694 20 0 CFADRP C[N@@H+]1CCC[C@H](CNCc2ccon2)[C@H]1c1cccs1 ZINC000634963750 383427960 /nfs/dbraw/zinc/42/79/60/383427960.db2.gz CLYPCTCIYWDVHS-DOMZBBRYSA-N 2 0 291.420 2.909 20 0 CFADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000252894197 383438234 /nfs/dbraw/zinc/43/82/34/383438234.db2.gz ULGUIWMSCYNCAD-SMDDNHRTSA-N 2 0 297.240 2.879 20 0 CFADRP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252889482 383439178 /nfs/dbraw/zinc/43/91/78/383439178.db2.gz DMXOIABSOCMCGM-RHSMWYFYSA-N 2 0 276.424 2.904 20 0 CFADRP C1C[C@@H]([NH2+]C2CCSCC2)[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000252982291 383440879 /nfs/dbraw/zinc/44/08/79/383440879.db2.gz VRTFFFQDMNSLKN-RBSFLKMASA-N 2 0 268.470 2.782 20 0 CFADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc2c(c1)CCC2 ZINC000568855401 383442592 /nfs/dbraw/zinc/44/25/92/383442592.db2.gz KODZLRJOZHWCPX-CYBMUJFWSA-N 2 0 258.409 2.826 20 0 CFADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC000483294943 383445895 /nfs/dbraw/zinc/44/58/95/383445895.db2.gz XECUQCDBWUMMKS-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C[C@H]1C[NH3+] ZINC000253200632 383448310 /nfs/dbraw/zinc/44/83/10/383448310.db2.gz XIFTUXANIZXACE-DZGCQCFKSA-N 2 0 269.392 2.652 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000568939033 383450485 /nfs/dbraw/zinc/45/04/85/383450485.db2.gz YOYUWSLQTGJHST-XNJGSVPQSA-N 2 0 276.399 2.990 20 0 CFADRP CC(C)c1ccc([C@@H]([NH3+])CNC[C@@H](C[NH3+])C(C)C)cc1 ZINC000634995005 383451097 /nfs/dbraw/zinc/45/10/97/383451097.db2.gz RRGNFQOOFOGFSK-SJORKVTESA-N 2 0 277.456 2.630 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634996342 383451740 /nfs/dbraw/zinc/45/17/40/383451740.db2.gz HLSNIQZXWUQBQZ-CHWSQXEVSA-N 2 0 284.407 2.546 20 0 CFADRP CC(C)CCCNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000527105160 383452435 /nfs/dbraw/zinc/45/24/35/383452435.db2.gz UFTMQLBKGQKEJV-UHFFFAOYSA-N 2 0 276.428 2.682 20 0 CFADRP CCCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999354 383455732 /nfs/dbraw/zinc/45/57/32/383455732.db2.gz SYWVLLCSTAAKSV-GDBMZVCRSA-N 2 0 276.424 2.892 20 0 CFADRP C[C@]1(C[NH+]2CCC3(CCSCC3)CC2)CC[NH2+]C1 ZINC000634999592 383457295 /nfs/dbraw/zinc/45/72/95/383457295.db2.gz WSJCLGZYVILNFF-AWEZNQCLSA-N 2 0 268.470 2.595 20 0 CFADRP C[C@H]1C[N@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000634999674 383457858 /nfs/dbraw/zinc/45/78/58/383457858.db2.gz XRDNPVZQCAHWDD-WMLDXEAASA-N 2 0 281.403 2.775 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000635002528 383458178 /nfs/dbraw/zinc/45/81/78/383458178.db2.gz UATCNRYKGFNGGP-UTUOFQBUSA-N 2 0 289.379 2.572 20 0 CFADRP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635003465 383459803 /nfs/dbraw/zinc/45/98/03/383459803.db2.gz DFHPHRNLCJLWAK-XNRPHZJLSA-N 2 0 289.423 2.813 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1nc2ccccc2n1C ZINC000635003774 383459967 /nfs/dbraw/zinc/45/99/67/383459967.db2.gz BLUCHEBOUTWXMF-MGPQQGTHSA-N 2 0 286.423 2.741 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003787 383459987 /nfs/dbraw/zinc/45/99/87/383459987.db2.gz BPOHLJHJAADMQY-IIAWOOMASA-N 2 0 289.423 2.511 20 0 CFADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3(F)CC3)CC2)C[C@@H](C)O1 ZINC000527219374 383463171 /nfs/dbraw/zinc/46/31/71/383463171.db2.gz SDNJBNHQRIDKSK-HUUCEWRRSA-N 2 0 298.446 2.700 20 0 CFADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cccnc1 ZINC000635008711 383464011 /nfs/dbraw/zinc/46/40/11/383464011.db2.gz SKANPPVDNFUHNA-WMLDXEAASA-N 2 0 269.392 2.692 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000635008436 383464176 /nfs/dbraw/zinc/46/41/76/383464176.db2.gz UJQSGGAPQUGYHY-UMVBOHGHSA-N 2 0 264.417 2.632 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635008817 383464633 /nfs/dbraw/zinc/46/46/33/383464633.db2.gz HFAVMFBSBXYHMR-CQSZACIVSA-N 2 0 281.403 2.887 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2(F)CC2)c1 ZINC000527227745 383464691 /nfs/dbraw/zinc/46/46/91/383464691.db2.gz XKFSTKLTUQVYMT-UHFFFAOYSA-N 2 0 250.361 2.730 20 0 CFADRP Fc1ccc(Cl)cc1CN1CCN(c2ncc[nH]2)CC1 ZINC000569070022 383464716 /nfs/dbraw/zinc/46/47/16/383464716.db2.gz XOWKPBIENZBKGP-UHFFFAOYSA-N 2 0 294.761 2.524 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000635009381 383465353 /nfs/dbraw/zinc/46/53/53/383465353.db2.gz YGJHYJQALZDKEV-JQFCIGGWSA-N 2 0 258.409 2.651 20 0 CFADRP CC[C@H]([NH2+]CC[C@H]1CNc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000635009554 383465738 /nfs/dbraw/zinc/46/57/38/383465738.db2.gz VZTGQTCZQZMXLB-QRTARXTBSA-N 2 0 273.424 2.706 20 0 CFADRP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccncc1 ZINC000635011533 383466592 /nfs/dbraw/zinc/46/65/92/383466592.db2.gz QAMMATNWQOCZFK-ZDUSSCGKSA-N 2 0 267.376 2.578 20 0 CFADRP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cn1 ZINC000635010300 383466612 /nfs/dbraw/zinc/46/66/12/383466612.db2.gz JKXRSBSXMUAHMD-HIFRSBDPSA-N 2 0 278.444 2.893 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635009830 383466961 /nfs/dbraw/zinc/46/69/61/383466961.db2.gz WKBUHHIFNUCDMJ-YOEHRIQHSA-N 2 0 272.392 2.760 20 0 CFADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1cncs1 ZINC000635009832 383467095 /nfs/dbraw/zinc/46/70/95/383467095.db2.gz WKWDXRCQIHZQAQ-JSGCOSHPSA-N 2 0 275.421 2.754 20 0 CFADRP COC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000635010392 383467209 /nfs/dbraw/zinc/46/72/09/383467209.db2.gz ZOSUMEYAPKVLDE-ROUUACIJSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cncs1 ZINC000635011029 383467499 /nfs/dbraw/zinc/46/74/99/383467499.db2.gz LVAHQFIYNPVNSZ-WDEREUQCSA-N 2 0 253.415 2.572 20 0 CFADRP FC(F)(F)[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000635011787 383467962 /nfs/dbraw/zinc/46/79/62/383467962.db2.gz HQZWIASUJUJFAT-SYLRKERUSA-N 2 0 276.346 2.838 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000635012668 383468527 /nfs/dbraw/zinc/46/85/27/383468527.db2.gz VDWXSXPHUPMKTK-CABCVRRESA-N 2 0 280.456 2.704 20 0 CFADRP CC[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000635012231 383468633 /nfs/dbraw/zinc/46/86/33/383468633.db2.gz JVPGVVACKPMLPQ-OWCLPIDISA-N 2 0 280.456 2.846 20 0 CFADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635013450 383469122 /nfs/dbraw/zinc/46/91/22/383469122.db2.gz TVSLQKZZUDPRSI-HOCLYGCPSA-N 2 0 257.381 2.918 20 0 CFADRP Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C2)cc1 ZINC000635013131 383469629 /nfs/dbraw/zinc/46/96/29/383469629.db2.gz QSVASXCVDSQSME-SJLPKXTDSA-N 2 0 289.467 2.676 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc3cccnc3c2)C1 ZINC000635024376 383474833 /nfs/dbraw/zinc/47/48/33/383474833.db2.gz XIIIZWUOWPDWQP-HUUCEWRRSA-N 2 0 255.365 2.594 20 0 CFADRP CCc1nc(C)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000428467103 383480412 /nfs/dbraw/zinc/48/04/12/383480412.db2.gz XIQQJIKXSGRYPT-UHFFFAOYSA-N 2 0 291.439 2.853 20 0 CFADRP CCc1noc(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000340439131 383420184 /nfs/dbraw/zinc/42/01/84/383420184.db2.gz HTFDKUGJXFOLIK-APHBMKBZSA-N 2 0 277.412 2.508 20 0 CFADRP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)CS1 ZINC000488454817 383545213 /nfs/dbraw/zinc/54/52/13/383545213.db2.gz JKAWZHKZSALHHA-ZIAGYGMSSA-N 2 0 256.459 2.592 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)C1 ZINC000488462204 383547083 /nfs/dbraw/zinc/54/70/83/383547083.db2.gz LNJNPLKZXFBRDT-MGPQQGTHSA-N 2 0 270.486 2.838 20 0 CFADRP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(-c2ccnn2C)c1 ZINC000261749273 383552546 /nfs/dbraw/zinc/55/25/46/383552546.db2.gz CCIHKSFHECPLCT-GJZGRUSLSA-N 2 0 298.434 2.565 20 0 CFADRP C[C@@]1(CN(Cc2ccc(F)cc2)C2CC2)CC[NH2+]C1 ZINC000261723936 383548170 /nfs/dbraw/zinc/54/81/70/383548170.db2.gz GHQMGOPOUHFKRL-MRXNPFEDSA-N 2 0 262.372 2.790 20 0 CFADRP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000488468766 383548156 /nfs/dbraw/zinc/54/81/56/383548156.db2.gz SQVGBCDDXKYUHK-AAEUAGOBSA-N 2 0 250.361 2.633 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261724116 383548776 /nfs/dbraw/zinc/54/87/76/383548776.db2.gz GJHKROQNIAZTAR-RRFJBIMHSA-N 2 0 268.445 2.512 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000569378506 383494203 /nfs/dbraw/zinc/49/42/03/383494203.db2.gz TWJSOFZVKWWDRD-LTIDMASMSA-N 2 0 274.408 2.766 20 0 CFADRP Cc1ccc(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000257644446 383497055 /nfs/dbraw/zinc/49/70/55/383497055.db2.gz BTZGDLHZEVHVJR-UHFFFAOYSA-N 2 0 258.409 2.613 20 0 CFADRP Fc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC000257701251 383497428 /nfs/dbraw/zinc/49/74/28/383497428.db2.gz QEKGBZQJQICFKZ-UHFFFAOYSA-N 2 0 266.335 2.540 20 0 CFADRP Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000261540128 383508957 /nfs/dbraw/zinc/50/89/57/383508957.db2.gz DTYUFWBEKRHGAM-YPMHNXCESA-N 2 0 252.789 2.818 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)c1nccs1 ZINC000261544117 383509111 /nfs/dbraw/zinc/50/91/11/383509111.db2.gz WXGFZOLHFNZAOW-UTUOFQBUSA-N 2 0 253.415 2.572 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000261549320 383509597 /nfs/dbraw/zinc/50/95/97/383509597.db2.gz KKCOBTWSJPNOMN-CYBMUJFWSA-N 2 0 252.789 2.818 20 0 CFADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000261552522 383510037 /nfs/dbraw/zinc/51/00/37/383510037.db2.gz MYYSOQNHDJEBRK-ZDUSSCGKSA-N 2 0 297.240 2.927 20 0 CFADRP [NH3+]CC[C@@H]1CCCCN1Cc1cnc(C2CC2)s1 ZINC000569577741 383514994 /nfs/dbraw/zinc/51/49/94/383514994.db2.gz ZZQGAXJHNAAGOQ-LBPRGKRZSA-N 2 0 265.426 2.724 20 0 CFADRP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261579826 383519533 /nfs/dbraw/zinc/51/95/33/383519533.db2.gz FBOBRIYCVIFOFN-VYDXJSESSA-N 2 0 256.393 2.605 20 0 CFADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(Cl)cc1 ZINC000261580029 383519675 /nfs/dbraw/zinc/51/96/75/383519675.db2.gz PXCGKZMEVGWCOQ-CQSZACIVSA-N 2 0 270.804 2.682 20 0 CFADRP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261590372 383522386 /nfs/dbraw/zinc/52/23/86/383522386.db2.gz WYPDMPQGDYQEHB-NSHDSACASA-N 2 0 264.335 2.649 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000569662040 383523990 /nfs/dbraw/zinc/52/39/90/383523990.db2.gz WCXKDNIEAXJXFJ-TWMKSMIVSA-N 2 0 282.472 2.900 20 0 CFADRP Cc1ncsc1C[N@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000261639893 383533789 /nfs/dbraw/zinc/53/37/89/383533789.db2.gz DGGKQFSWOINAJG-CYBMUJFWSA-N 2 0 267.442 2.519 20 0 CFADRP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261656049 383537926 /nfs/dbraw/zinc/53/79/26/383537926.db2.gz YPPMUAVUTYCGLT-DLBZAZTESA-N 2 0 256.393 2.748 20 0 CFADRP CCN(C)C[C@@H](O)C[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000569936947 383552160 /nfs/dbraw/zinc/55/21/60/383552160.db2.gz DRVSBQKEVLPVGB-SJLPKXTDSA-N 2 0 292.467 2.937 20 0 CFADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000429552247 383543041 /nfs/dbraw/zinc/54/30/41/383543041.db2.gz JBOXCRKJANNZKP-MAZHCROVSA-N 2 0 289.423 2.943 20 0 CFADRP C[N@H+](CC1(c2ccccc2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261695230 383543571 /nfs/dbraw/zinc/54/35/71/383543571.db2.gz BSXARQFYLURCPN-MRXNPFEDSA-N 2 0 258.409 2.650 20 0 CFADRP CC[NH+](CC)CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488450248 383543814 /nfs/dbraw/zinc/54/38/14/383543814.db2.gz RQJFOIZPNSKHNG-KGLIPLIRSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261888419 383575129 /nfs/dbraw/zinc/57/51/29/383575129.db2.gz SLTPLKXQAREIRY-BPQIPLTHSA-N 2 0 272.436 2.939 20 0 CFADRP CCCOc1ccc2c(c1)CCN(C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261903983 383578130 /nfs/dbraw/zinc/57/81/30/383578130.db2.gz WQYHWGRYULNVTN-SFHVURJKSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)CC[NH2+]C1 ZINC000261906038 383578311 /nfs/dbraw/zinc/57/83/11/383578311.db2.gz WYHIEPNKTUTRPA-SJORKVTESA-N 2 0 258.409 2.693 20 0 CFADRP CCSc1cccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261924943 383580060 /nfs/dbraw/zinc/58/00/60/383580060.db2.gz ZBQNZDORUASVAT-OAHLLOKOSA-N 2 0 264.438 2.969 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261947689 383584407 /nfs/dbraw/zinc/58/44/07/383584407.db2.gz NMLKMECIXPRZQX-JQHSSLGASA-N 2 0 288.435 2.817 20 0 CFADRP Cc1nc2ccc(CN3CC[C@H]([NH3+])[C@H](C)C3)cc2s1 ZINC000261951864 383585259 /nfs/dbraw/zinc/58/52/59/383585259.db2.gz OAIINUUAJMSTRZ-MFKMUULPSA-N 2 0 275.421 2.774 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261958640 383587806 /nfs/dbraw/zinc/58/78/06/383587806.db2.gz OXATXHXXEGXHRS-YPMHNXCESA-N 2 0 250.361 2.557 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261995415 383592118 /nfs/dbraw/zinc/59/21/18/383592118.db2.gz STQYXQCLMSPTCH-ZIAGYGMSSA-N 2 0 264.388 2.990 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)c1cccnc1 ZINC000423193232 532994284 /nfs/dbraw/zinc/99/42/84/532994284.db2.gz VNPDJPHKASVULW-QAPCUYQASA-N 2 0 297.446 2.907 20 0 CFADRP CCc1cccc(F)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262013834 383595319 /nfs/dbraw/zinc/59/53/19/383595319.db2.gz VJWKERAZFAHGHS-JLJPHGGASA-N 2 0 276.399 2.947 20 0 CFADRP CC(C)([NH3+])CN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000262028147 383595906 /nfs/dbraw/zinc/59/59/06/383595906.db2.gz WWLZREZQKIIVQD-UHFFFAOYSA-N 2 0 282.378 2.957 20 0 CFADRP C[C@]1(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000262034430 383596789 /nfs/dbraw/zinc/59/67/89/383596789.db2.gz OKAUAMOKSJWUMW-IRXDYDNUSA-N 2 0 276.399 2.832 20 0 CFADRP CCc1cc(OC)ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000262039412 383598989 /nfs/dbraw/zinc/59/89/89/383598989.db2.gz YEDIVMCXJYFDLZ-UHFFFAOYSA-N 2 0 264.413 2.674 20 0 CFADRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000430923227 383612402 /nfs/dbraw/zinc/61/24/02/383612402.db2.gz DUFSDDWRDRSUEX-KRWDZBQOSA-N 2 0 298.434 2.530 20 0 CFADRP [NH3+]CC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000262063985 383601489 /nfs/dbraw/zinc/60/14/89/383601489.db2.gz AQIZCHPRRFPBDN-UHFFFAOYSA-N 2 0 286.778 2.529 20 0 CFADRP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000570529869 383612634 /nfs/dbraw/zinc/61/26/34/383612634.db2.gz YYKIZXKMVYHRDS-ARFHVFGLSA-N 2 0 268.445 2.831 20 0 CFADRP C[N@H+](CCOc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000262110166 383606049 /nfs/dbraw/zinc/60/60/49/383606049.db2.gz KHDNLZVFVLYUME-UHFFFAOYSA-N 2 0 286.778 2.542 20 0 CFADRP COc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000262118976 383606811 /nfs/dbraw/zinc/60/68/11/383606811.db2.gz LQWQTWOKCUGFNA-PJODQICGSA-N 2 0 294.826 2.908 20 0 CFADRP c1c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)onc1-c1ccccc1 ZINC000261758571 383553534 /nfs/dbraw/zinc/55/35/34/383553534.db2.gz UQNICOIZTUEZQO-GDBMZVCRSA-N 2 0 283.375 2.525 20 0 CFADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1 ZINC000422748956 532995433 /nfs/dbraw/zinc/99/54/33/532995433.db2.gz WVPPPGAWHBADOR-QAPCUYQASA-N 2 0 268.404 2.777 20 0 CFADRP [NH3+][C@@H]1CN(Cc2ccsc2)C[C@H]1c1ccccc1 ZINC000261802626 383562778 /nfs/dbraw/zinc/56/27/78/383562778.db2.gz WBJQSNMZTIDKCI-LSDHHAIUSA-N 2 0 258.390 2.675 20 0 CFADRP C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@](C)(C[NH3+])C1 ZINC000261809471 383564033 /nfs/dbraw/zinc/56/40/33/383564033.db2.gz OPKRDYOJJYKXHX-IAQYHMDHSA-N 2 0 265.401 2.704 20 0 CFADRP CCCOc1cccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261807203 383564045 /nfs/dbraw/zinc/56/40/45/383564045.db2.gz RXIUZRTYSVTIFJ-WBVHZDCISA-N 2 0 274.408 2.659 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000570044194 383564427 /nfs/dbraw/zinc/56/44/27/383564427.db2.gz AKXHEGQKSXWHPW-KGLIPLIRSA-N 2 0 299.418 2.973 20 0 CFADRP Cc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1Cl ZINC000261827446 383567541 /nfs/dbraw/zinc/56/75/41/383567541.db2.gz IWDTVDGAXZAVBX-AWEZNQCLSA-N 2 0 264.800 2.975 20 0 CFADRP Cc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000261827447 383567992 /nfs/dbraw/zinc/56/79/92/383567992.db2.gz IWDTVDGAXZAVBX-CQSZACIVSA-N 2 0 264.800 2.975 20 0 CFADRP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000261840849 383568616 /nfs/dbraw/zinc/56/86/16/383568616.db2.gz UJNCWKZBZWNNJF-ARFHVFGLSA-N 2 0 280.456 2.512 20 0 CFADRP CC1(C)CC[C@H](C[NH+]2CCC(Nc3ccccn3)CC2)O1 ZINC000570906560 383646234 /nfs/dbraw/zinc/64/62/34/383646234.db2.gz DDXCGMHXRBRIHM-OAHLLOKOSA-N 2 0 289.423 2.916 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000262289930 383615812 /nfs/dbraw/zinc/61/58/12/383615812.db2.gz VWLOQTHYOKSEBH-GOSISDBHSA-N 2 0 272.436 2.941 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(-c4ccccc4)on3)C[C@H]21 ZINC000262388623 383619956 /nfs/dbraw/zinc/61/99/56/383619956.db2.gz ZPAYEQWGSVCEDT-DJIMGWMZSA-N 2 0 297.402 2.901 20 0 CFADRP c1ccc(OCCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431018172 383623291 /nfs/dbraw/zinc/62/32/91/383623291.db2.gz VAHAQRVWOIMMCL-UHFFFAOYSA-N 2 0 274.408 2.531 20 0 CFADRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000570673773 383624135 /nfs/dbraw/zinc/62/41/35/383624135.db2.gz VHDBMXUKXRUMPL-CYBMUJFWSA-N 2 0 250.386 2.736 20 0 CFADRP CC[C@@H](C)[C@H](C)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000431068052 383627152 /nfs/dbraw/zinc/62/71/52/383627152.db2.gz GWHJWFVFTOPIER-MNOVXSKESA-N 2 0 280.416 2.662 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1cccc(-c2ccccn2)c1 ZINC000570719372 383628533 /nfs/dbraw/zinc/62/85/33/383628533.db2.gz NAWAAUURLFHWBS-UHFFFAOYSA-N 2 0 255.365 2.529 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C(C)(C)C ZINC000572393810 383779589 /nfs/dbraw/zinc/77/95/89/383779589.db2.gz YXYMUTHESALMNH-IRXDYDNUSA-N 2 0 292.467 2.546 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@H](C)C1 ZINC000571109374 383665580 /nfs/dbraw/zinc/66/55/80/383665580.db2.gz AMSPTSHKKBFAEX-WCVJEAGWSA-N 2 0 286.435 2.604 20 0 CFADRP C[C@H]([NH2+]Cc1ccnc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000571176400 383671988 /nfs/dbraw/zinc/67/19/88/383671988.db2.gz MHXNFCPAHHPFTN-UONOGXRCSA-N 2 0 269.392 2.713 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)[C@H]2CCC[C@H]21 ZINC000453236230 383811794 /nfs/dbraw/zinc/81/17/94/383811794.db2.gz MVYKMRZXSXTLJB-IXDOHACOSA-N 2 0 280.456 2.656 20 0 CFADRP Cc1noc(CCC[N@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000640532712 383819020 /nfs/dbraw/zinc/81/90/20/383819020.db2.gz JAHXQYAMQJJUQL-UHFFFAOYSA-N 2 0 294.443 2.509 20 0 CFADRP CCOC1CC(C[N@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000640535061 383820145 /nfs/dbraw/zinc/82/01/45/383820145.db2.gz ZQDNUMSTKULBAG-UHFFFAOYSA-N 2 0 282.472 2.999 20 0 CFADRP CCO[C@H]1C[C@H]([N@H+](C)CCC[NH2+]C)C1(CC)CC ZINC000435885320 383781368 /nfs/dbraw/zinc/78/13/68/383781368.db2.gz IORSVRWFNJVKLF-KBPBESRZSA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000436283740 383799575 /nfs/dbraw/zinc/79/95/75/383799575.db2.gz KQEDWLKQZIMQKE-DDBAPUKQSA-N 2 0 272.436 2.938 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)OC ZINC000453299430 383842678 /nfs/dbraw/zinc/84/26/78/383842678.db2.gz VKKJGWOOHGRFBR-QMHWVQJVSA-N 2 0 268.445 2.510 20 0 CFADRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)N1CCC[C@@H](C)C1 ZINC000572948372 383845142 /nfs/dbraw/zinc/84/51/42/383845142.db2.gz WSRZBWIVCZDMOQ-DGXTUMSLSA-N 2 0 268.445 2.652 20 0 CFADRP CC[NH+](CC)CCCN[C@H](CCO)c1ccccc1F ZINC000646069918 383846215 /nfs/dbraw/zinc/84/62/15/383846215.db2.gz CEQFHSYSAGPSOU-MRXNPFEDSA-N 2 0 282.403 2.571 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1cnn(C(C)(C)C)c1)C1CC1 ZINC000453592928 383862906 /nfs/dbraw/zinc/86/29/06/383862906.db2.gz FVQPHHHARWVROA-UHFFFAOYSA-N 2 0 278.444 2.602 20 0 CFADRP C[N@H+](CCCC[NH2+]Cc1nccn1-c1ccccc1)C1CC1 ZINC000453590722 383863063 /nfs/dbraw/zinc/86/30/63/383863063.db2.gz BALHBBFLKNFHJP-UHFFFAOYSA-N 2 0 298.434 2.836 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103172 383871552 /nfs/dbraw/zinc/87/15/52/383871552.db2.gz HEJPJBVZBPCQPQ-UHFFFAOYSA-N 2 0 288.435 2.600 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000573371484 383918354 /nfs/dbraw/zinc/91/83/54/383918354.db2.gz CXEMQIORFVPUDB-KZNAEPCWSA-N 3 0 287.451 2.546 20 0 CFADRP C[C@@H](CF)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000646215069 383920508 /nfs/dbraw/zinc/92/05/08/383920508.db2.gz UWHKXXNXSMKYJD-OFQRWUPVSA-N 2 0 264.388 2.845 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000573436951 383927795 /nfs/dbraw/zinc/92/77/95/383927795.db2.gz QDDWGXVLVHJXQK-MRXNPFEDSA-N 2 0 274.408 2.662 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000422757243 533020689 /nfs/dbraw/zinc/02/06/89/533020689.db2.gz HPMFZYNDXNVYMF-SQNIBIBYSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc2c(c1)CCC(=O)N2 ZINC000532194167 383989741 /nfs/dbraw/zinc/98/97/41/383989741.db2.gz OTAACOBUORWTRS-QWHCGFSZSA-N 2 0 298.390 2.507 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CN1CCCCC1)C1CCOCC1 ZINC000532195545 383990011 /nfs/dbraw/zinc/99/00/11/383990011.db2.gz SEQUPPNFUBEQIU-HOCLYGCPSA-N 2 0 268.445 2.656 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)C1 ZINC000573506983 383942909 /nfs/dbraw/zinc/94/29/09/383942909.db2.gz YGYADPOTIXYCRA-LALPHHSUSA-N 2 0 278.371 2.899 20 0 CFADRP CCCCOc1cccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)c1 ZINC000531937115 383943911 /nfs/dbraw/zinc/94/39/11/383943911.db2.gz BZXXIPXJLZNPJC-RHSMWYFYSA-N 2 0 276.424 2.905 20 0 CFADRP CC(C)COc1ccc(CC[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000531975437 383951150 /nfs/dbraw/zinc/95/11/50/383951150.db2.gz JAHWQBNMQNDMJN-QAPCUYQASA-N 2 0 290.451 2.804 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000574149152 384051210 /nfs/dbraw/zinc/05/12/10/384051210.db2.gz GPBHRAPJAYEMBS-DOMZBBRYSA-N 2 0 262.397 2.518 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000574149163 384051363 /nfs/dbraw/zinc/05/13/63/384051363.db2.gz GPBHRAPJAYEMBS-IUODEOHRSA-N 2 0 262.397 2.518 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000574282519 384073161 /nfs/dbraw/zinc/07/31/61/384073161.db2.gz UQUKXQVCSSELIP-UHFFFAOYSA-N 2 0 279.453 2.971 20 0 CFADRP C[NH+](C)CCCCC(=O)Nc1cccc(-c2ncc[nH]2)c1 ZINC000574491476 384104438 /nfs/dbraw/zinc/10/44/38/384104438.db2.gz WEFYHNTVSKSWLI-UHFFFAOYSA-N 2 0 286.379 2.747 20 0 CFADRP C[NH2+]CCC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000574989839 384173090 /nfs/dbraw/zinc/17/30/90/384173090.db2.gz VQOMOQJZDHAJIY-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000574927535 384166973 /nfs/dbraw/zinc/16/69/73/384166973.db2.gz MQHOMAPGJBQMPN-IVSAIRAKSA-N 2 0 274.408 2.658 20 0 CFADRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC000574983002 384170810 /nfs/dbraw/zinc/17/08/10/384170810.db2.gz TYLOKRSPMFOIKJ-INIZCTEOSA-N 2 0 270.461 2.638 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422840619 533041442 /nfs/dbraw/zinc/04/14/42/533041442.db2.gz UEMNITQDHNOAAB-DNDXXGFKSA-N 2 0 274.408 2.926 20 0 CFADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1 ZINC000266580115 384202627 /nfs/dbraw/zinc/20/26/27/384202627.db2.gz HQDBSNWHZXGWBZ-SJORKVTESA-N 2 0 276.424 2.526 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000266599558 384205815 /nfs/dbraw/zinc/20/58/15/384205815.db2.gz PWOJBOJOFXRHRS-WMLDXEAASA-N 2 0 294.414 2.523 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641737614 384305933 /nfs/dbraw/zinc/30/59/33/384305933.db2.gz YNCHEXMCROAMON-CVEARBPZSA-N 2 0 282.472 2.780 20 0 CFADRP CCCc1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000641797671 384362699 /nfs/dbraw/zinc/36/26/99/384362699.db2.gz FLRGEUNXSGFBBF-HUUCEWRRSA-N 2 0 291.439 2.757 20 0 CFADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCC3(CCCC3)O1)CC[NH2+]CC2 ZINC000641798309 384364625 /nfs/dbraw/zinc/36/46/25/384364625.db2.gz FFYKZSSDBKLGGB-JKSUJKDBSA-N 2 0 292.467 2.942 20 0 CFADRP Cc1cc(N2CCC(Nc3ccccn3)CC2)nc(C)n1 ZINC000267346250 384365462 /nfs/dbraw/zinc/36/54/62/384365462.db2.gz FMSKNJZNZXNTKL-UHFFFAOYSA-N 2 0 283.379 2.569 20 0 CFADRP Cc1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000641799806 384367354 /nfs/dbraw/zinc/36/73/54/384367354.db2.gz ZSRWACLCBHOXAS-IUODEOHRSA-N 2 0 285.391 2.819 20 0 CFADRP C[N@@H+](Cc1ccc(C(F)F)nc1)CC1CC[NH+](C)CC1 ZINC000638028214 384369033 /nfs/dbraw/zinc/36/90/33/384369033.db2.gz BSWXMAWDMFPJKN-UHFFFAOYSA-N 2 0 283.366 2.793 20 0 CFADRP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1Cl ZINC000641802347 384371228 /nfs/dbraw/zinc/37/12/28/384371228.db2.gz JKDGWUAYIJQYSN-STQMWFEESA-N 2 0 268.788 2.564 20 0 CFADRP CSc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000641759320 384325052 /nfs/dbraw/zinc/32/50/52/384325052.db2.gz AKSFIZMVNICNFQ-GFCCVEGCSA-N 2 0 268.426 2.823 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2)[C@H](C)C1 ZINC000267467742 384397802 /nfs/dbraw/zinc/39/78/02/384397802.db2.gz WENNLQZHDCVFEE-XOKHGSTOSA-N 2 0 294.414 2.521 20 0 CFADRP CC[C@@](C)(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000638104618 384418917 /nfs/dbraw/zinc/41/89/17/384418917.db2.gz LABJYRGVBUARFC-HOTGVXAUSA-N 2 0 268.445 2.752 20 0 CFADRP CC[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345185646 285106232 /nfs/dbraw/zinc/10/62/32/285106232.db2.gz DJADODQHAYPWGK-OAHLLOKOSA-N 2 0 250.361 2.790 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3nccnc3c2)C[C@@H]1C ZINC000638110201 384422176 /nfs/dbraw/zinc/42/21/76/384422176.db2.gz JNROCNNWLUENSM-HOCLYGCPSA-N 2 0 298.434 2.934 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000641808979 384375470 /nfs/dbraw/zinc/37/54/70/384375470.db2.gz VGVMBPPKPBMKML-UONOGXRCSA-N 2 0 266.816 2.988 20 0 CFADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCCOc1cccc(Cl)c1 ZINC000641810017 384375623 /nfs/dbraw/zinc/37/56/23/384375623.db2.gz ZMERGWQUNGYBQG-ZIAGYGMSSA-N 2 0 282.815 2.824 20 0 CFADRP C[C@@H]1C[C@@H]([NH3+])CCN1Cc1nsc2ccccc21 ZINC000641823637 384380544 /nfs/dbraw/zinc/38/05/44/384380544.db2.gz SYSOTJQXZXIVGG-MNOVXSKESA-N 2 0 261.394 2.608 20 0 CFADRP CN(CC[C@@H]1CCCC[N@@H+]1C)[C@H](c1nccn1C)C1CC1 ZINC000638117960 384430960 /nfs/dbraw/zinc/43/09/60/384430960.db2.gz PXFXGZWBCZFHIW-HOTGVXAUSA-N 2 0 290.455 2.677 20 0 CFADRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000638120543 384433461 /nfs/dbraw/zinc/43/34/61/384433461.db2.gz AFDQLOWKOZELGI-OAHLLOKOSA-N 2 0 270.486 2.793 20 0 CFADRP CC[C@@](C)(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000638120435 384434124 /nfs/dbraw/zinc/43/41/24/384434124.db2.gz DOWFDODGNMZJDC-HOTGVXAUSA-N 2 0 268.445 2.609 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCSCC3)CC[C@H]21 ZINC000638177682 384472216 /nfs/dbraw/zinc/47/22/16/384472216.db2.gz LWFJVEFKAWRFAA-HUUCEWRRSA-N 2 0 268.470 2.546 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2c1 ZINC000643030967 384479403 /nfs/dbraw/zinc/47/94/03/384479403.db2.gz DESNRMIYABQJTF-CJNGLKHVSA-N 2 0 267.376 2.731 20 0 CFADRP Oc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000643057135 384488166 /nfs/dbraw/zinc/48/81/66/384488166.db2.gz FGPOVMWKQVCQFI-RHSMWYFYSA-N 2 0 274.408 2.919 20 0 CFADRP c1ccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCS2)cc1 ZINC000643057910 384488274 /nfs/dbraw/zinc/48/82/74/384488274.db2.gz ZPHSTCBUFWHYGL-HOCLYGCPSA-N 2 0 276.449 2.776 20 0 CFADRP CC(C)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])c(C(C)C)c1 ZINC000643075226 384492299 /nfs/dbraw/zinc/49/22/99/384492299.db2.gz QWYBWVMCMIMHLY-MRXNPFEDSA-N 2 0 278.440 2.685 20 0 CFADRP CCOC1CC(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000638303986 384544949 /nfs/dbraw/zinc/54/49/49/384544949.db2.gz XSSDOGTWLIUUCN-QQFBHYJXSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(C2CC2)n1 ZINC000268150667 384545578 /nfs/dbraw/zinc/54/55/78/384545578.db2.gz MPEKKFMUKQEXFZ-HZMBPMFUSA-N 2 0 272.396 2.557 20 0 CFADRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000278382062 384549320 /nfs/dbraw/zinc/54/93/20/384549320.db2.gz CKYFGWHYSKDZBW-LSDHHAIUSA-N 2 0 294.414 2.977 20 0 CFADRP C[N@H+](CCC[NH2+]CCC[C@@H]1CCO1)C1CCCCC1 ZINC000638299919 384541652 /nfs/dbraw/zinc/54/16/52/384541652.db2.gz FNNZQYWXHUQSHK-MRXNPFEDSA-N 2 0 268.445 2.800 20 0 CFADRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cncc(F)c1 ZINC000278427084 384569020 /nfs/dbraw/zinc/56/90/20/384569020.db2.gz JCNUKFLHKCTTTF-LBPRGKRZSA-N 2 0 277.387 2.746 20 0 CFADRP CCOC1CC(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000638362431 384586666 /nfs/dbraw/zinc/58/66/66/384586666.db2.gz ZVASRBWCUJAAIW-WXLSXGNJSA-N 2 0 268.445 2.654 20 0 CFADRP CCOC1CC(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000638362426 384587689 /nfs/dbraw/zinc/58/76/89/384587689.db2.gz ZVASRBWCUJAAIW-FXQLRMTLSA-N 2 0 268.445 2.654 20 0 CFADRP C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(F)F)C[NH+]1CCCCC1 ZINC000638389881 384615147 /nfs/dbraw/zinc/61/51/47/384615147.db2.gz GWXJITBTUWBGKP-UPJWGTAASA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCC[C@H]2CCO2)C1 ZINC000638371427 384598305 /nfs/dbraw/zinc/59/83/05/384598305.db2.gz RQJBMUKVWXYGJA-OAGGEKHMSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCC2CCOCC2)C1 ZINC000638371652 384598761 /nfs/dbraw/zinc/59/87/61/384598761.db2.gz OJPJIBPSGLPMPZ-HZPDHXFCSA-N 2 0 282.472 2.761 20 0 CFADRP CC1CC[NH+](CCCC[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638372641 384598917 /nfs/dbraw/zinc/59/89/17/384598917.db2.gz XUDIYQKOIHUFPO-MRXNPFEDSA-N 2 0 268.445 2.657 20 0 CFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCC2CCOCC2)C1 ZINC000638371653 384599030 /nfs/dbraw/zinc/59/90/30/384599030.db2.gz OJPJIBPSGLPMPZ-IYBDPMFKSA-N 2 0 282.472 2.761 20 0 CFADRP C[C@H](CCc1ccccc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000643497603 384662993 /nfs/dbraw/zinc/66/29/93/384662993.db2.gz FYIVSFYLMWYCRR-CYBMUJFWSA-N 2 0 264.388 2.736 20 0 CFADRP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000643497640 384663388 /nfs/dbraw/zinc/66/33/88/384663388.db2.gz LCEZVCMUUPDPCD-MRXNPFEDSA-N 2 0 262.372 2.792 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497623 384663906 /nfs/dbraw/zinc/66/39/06/384663906.db2.gz JGIDXXXHPGNMIP-CRAIPNDOSA-N 3 0 293.499 2.619 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000643497619 384663956 /nfs/dbraw/zinc/66/39/56/384663956.db2.gz IRGVMGSJDOBPPV-HNNXBMFYSA-N 2 0 266.335 2.541 20 0 CFADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000680969508 542392274 /nfs/dbraw/zinc/39/22/74/542392274.db2.gz JWWILQHWEVHTLF-CWRNSKLLSA-N 2 0 282.472 2.898 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000643503472 384674078 /nfs/dbraw/zinc/67/40/78/384674078.db2.gz CBIHQXLODGKUMA-JCGIZDLHSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]CCC[C@H]1CCO1 ZINC000638416723 384638092 /nfs/dbraw/zinc/63/80/92/384638092.db2.gz DAWSRNZKFAYQDV-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000643456600 384637998 /nfs/dbraw/zinc/63/79/98/384637998.db2.gz MHAVCCVODHQCCD-WDEREUQCSA-N 2 0 274.330 2.963 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000643458281 384640931 /nfs/dbraw/zinc/64/09/31/384640931.db2.gz FPEAZYXYCFXNOH-MSOLQXFVSA-N 2 0 298.434 2.681 20 0 CFADRP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643462017 384642088 /nfs/dbraw/zinc/64/20/88/384642088.db2.gz UJRYPPCKSOHDHI-NOXHYTERSA-N 2 0 260.381 2.536 20 0 CFADRP Cc1csc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000643460715 384643021 /nfs/dbraw/zinc/64/30/21/384643021.db2.gz LOHQMBQHKACGMQ-LLVKDONJSA-N 2 0 290.436 2.507 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)[C@@H]1CC1(F)F ZINC000638425979 384646079 /nfs/dbraw/zinc/64/60/79/384646079.db2.gz PRVYDSINGDTANJ-MFKMUULPSA-N 2 0 258.356 2.637 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466731 384646697 /nfs/dbraw/zinc/64/66/97/384646697.db2.gz LMDNOGYHHIWBAA-KGLIPLIRSA-N 2 0 256.434 2.689 20 0 CFADRP C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)[C@@H]1CCCC[NH2+]1 ZINC000643466754 384647059 /nfs/dbraw/zinc/64/70/59/384647059.db2.gz MNQOUXPRFXVEDM-QLFBSQMISA-N 2 0 268.445 2.702 20 0 CFADRP CCCC[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000638428832 384647568 /nfs/dbraw/zinc/64/75/68/384647568.db2.gz CTDNOPFZCYULQQ-UHFFFAOYSA-N 2 0 268.445 2.657 20 0 CFADRP CC(C)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000643467428 384648501 /nfs/dbraw/zinc/64/85/01/384648501.db2.gz CAPWKFKXMAHDFY-ZBFHGGJFSA-N 2 0 261.413 2.901 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000643474183 384652223 /nfs/dbraw/zinc/65/22/23/384652223.db2.gz MNDJHQRQKOFMJY-YZMJHREJSA-N 2 0 294.483 2.971 20 0 CFADRP CCC1(O)CCC([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000643474118 384652528 /nfs/dbraw/zinc/65/25/28/384652528.db2.gz BPTHTAWWJTUKJB-MKQDKFQKSA-N 2 0 291.439 2.583 20 0 CFADRP COC[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(F)cc1 ZINC000422921232 533083942 /nfs/dbraw/zinc/08/39/42/533083942.db2.gz PFMAVJOWJPWZKB-MOQPWLNLSA-N 2 0 280.387 2.620 20 0 CFADRP CC[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000643478098 384654229 /nfs/dbraw/zinc/65/42/29/384654229.db2.gz ZHQWINDEJIIYDE-WBAXXEDZSA-N 2 0 272.436 2.912 20 0 CFADRP CC(C)OC1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643475737 384654255 /nfs/dbraw/zinc/65/42/55/384654255.db2.gz HTDHILHOQZWTRI-LBDPXKHJSA-N 2 0 268.445 2.830 20 0 CFADRP CC(C)OC1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643475740 384654864 /nfs/dbraw/zinc/65/48/64/384654864.db2.gz HTDHILHOQZWTRI-SLTXQBBLSA-N 2 0 268.445 2.830 20 0 CFADRP COCC[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000045037289 285130367 /nfs/dbraw/zinc/13/03/67/285130367.db2.gz AGIDMKRECQRIBR-CQSZACIVSA-N 2 0 256.434 2.656 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccccn2)CCC1 ZINC000643488907 384659597 /nfs/dbraw/zinc/65/95/97/384659597.db2.gz LHKDMHLVHSENQL-CABCVRRESA-N 2 0 273.424 2.610 20 0 CFADRP Cc1ncc([C@@H](C)NC[C@@H]([NH3+])c2ccccc2)s1 ZINC000643508949 384680343 /nfs/dbraw/zinc/68/03/43/384680343.db2.gz VNGCHEKFZGRIBY-ZWNOBZJWSA-N 2 0 261.394 2.802 20 0 CFADRP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000643512088 384681700 /nfs/dbraw/zinc/68/17/00/384681700.db2.gz KFRKLTIAESITOJ-MVWJERBFSA-N 2 0 253.415 2.620 20 0 CFADRP CO[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000643513063 384684644 /nfs/dbraw/zinc/68/46/44/384684644.db2.gz PWLRVMUFBMLSTH-CVEARBPZSA-N 2 0 268.445 2.846 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCC(F)(F)CC1 ZINC000643522380 384688654 /nfs/dbraw/zinc/68/86/54/384688654.db2.gz MHMNYGMWUMXSEL-YPMHNXCESA-N 2 0 260.372 2.932 20 0 CFADRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522117 384689985 /nfs/dbraw/zinc/68/99/85/384689985.db2.gz ICCBDGRYVGQWBP-HOCLYGCPSA-N 2 0 274.408 2.940 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000643524019 384691340 /nfs/dbraw/zinc/69/13/40/384691340.db2.gz ZJXGUTRZARITNJ-OFQRWUPVSA-N 2 0 289.423 2.572 20 0 CFADRP CC[C@H](NC[C@@H](C)[NH3+])c1cccc(Br)c1 ZINC000643526043 384694096 /nfs/dbraw/zinc/69/40/96/384694096.db2.gz OEMLZPWBMKXBFF-SKDRFNHKSA-N 2 0 271.202 2.837 20 0 CFADRP Cc1ccc(OC(F)F)c([C@@H](C)NC[C@@H](C)[NH3+])c1 ZINC000643526125 384694240 /nfs/dbraw/zinc/69/42/40/384694240.db2.gz QCRIJXJBTIELHJ-NXEZZACHSA-N 2 0 258.312 2.594 20 0 CFADRP C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000643526537 384695530 /nfs/dbraw/zinc/69/55/30/384695530.db2.gz AQOZQXBEDLQOEI-NXEZZACHSA-N 2 0 260.303 2.573 20 0 CFADRP C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)CC[NH2+]2 ZINC000643547383 384726913 /nfs/dbraw/zinc/72/69/13/384726913.db2.gz DQNJZSNQGKXGIU-YYIAUSFCSA-N 2 0 292.467 2.846 20 0 CFADRP Cc1ccsc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000268954176 384700672 /nfs/dbraw/zinc/70/06/72/384700672.db2.gz VWSUZPQIEPOCPJ-GJZGRUSLSA-N 2 0 296.480 2.944 20 0 CFADRP C[C@H]([NH3+])C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000643529888 384703464 /nfs/dbraw/zinc/70/34/64/384703464.db2.gz UEJZQSNURMMSIZ-ZKYQVNSYSA-N 2 0 252.789 2.913 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000643533965 384705341 /nfs/dbraw/zinc/70/53/41/384705341.db2.gz IVHTXSBZNFYDCU-IAQYHMDHSA-N 2 0 278.371 2.627 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000643534424 384706040 /nfs/dbraw/zinc/70/60/40/384706040.db2.gz UXUHVTJTLJUGCO-HZMBPMFUSA-N 2 0 266.335 2.758 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OC)cc1 ZINC000643533785 384706103 /nfs/dbraw/zinc/70/61/03/384706103.db2.gz DWVKNWGPEZTWAX-JKSUJKDBSA-N 2 0 274.408 2.878 20 0 CFADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1nc2c(s1)CCCC2 ZINC000643534997 384706986 /nfs/dbraw/zinc/70/69/86/384706986.db2.gz HFNQCQROHXLACU-RISCZKNCSA-N 2 0 291.464 2.815 20 0 CFADRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)C1(C)C ZINC000643534811 384707515 /nfs/dbraw/zinc/70/75/15/384707515.db2.gz DDGJLSYKVYOTHP-RRFJBIMHSA-N 2 0 280.456 2.702 20 0 CFADRP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643534571 384707913 /nfs/dbraw/zinc/70/79/13/384707913.db2.gz YBWQIYAWUXYJFY-TZMCWYRMSA-N 2 0 262.422 2.857 20 0 CFADRP COC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000643535824 384709329 /nfs/dbraw/zinc/70/93/29/384709329.db2.gz JSXXMJXZCFUSPL-LSDHHAIUSA-N 2 0 294.826 2.759 20 0 CFADRP Cc1c([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cnn1C(C)C ZINC000643536759 384711073 /nfs/dbraw/zinc/71/10/73/384711073.db2.gz WIUYWVXHFYKOHH-DOMZBBRYSA-N 2 0 276.428 2.565 20 0 CFADRP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536489 384711192 /nfs/dbraw/zinc/71/11/92/384711192.db2.gz UJHSEIHCXDCKBX-GJZGRUSLSA-N 2 0 278.346 2.684 20 0 CFADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cnn(C2CCCC2)c1 ZINC000643536200 384711492 /nfs/dbraw/zinc/71/14/92/384711492.db2.gz NZIOLKSXSDDNJY-BBRMVZONSA-N 2 0 288.439 2.791 20 0 CFADRP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536923 384713879 /nfs/dbraw/zinc/71/38/79/384713879.db2.gz XHCSMPBMUWFNIC-KBXIAJHMSA-N 2 0 250.430 2.933 20 0 CFADRP c1ccc2c(c1)SC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000643548299 384727915 /nfs/dbraw/zinc/72/79/15/384727915.db2.gz XVCYGRGRIMZWQN-JLNYLFASSA-N 2 0 274.433 2.811 20 0 CFADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000643542819 384722286 /nfs/dbraw/zinc/72/22/86/384722286.db2.gz FRITUEYWOKAQIY-XYPHTWIQSA-N 2 0 258.409 2.651 20 0 CFADRP Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000643543793 384722854 /nfs/dbraw/zinc/72/28/54/384722854.db2.gz WDUXFAGTECRFOI-WBMJQRKESA-N 2 0 272.396 2.849 20 0 CFADRP Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)s1 ZINC000643549156 384729196 /nfs/dbraw/zinc/72/91/96/384729196.db2.gz KTRVBHKNBIAOER-NZPIUUIZSA-N 2 0 279.453 2.799 20 0 CFADRP C[N@H+]1CC=C(C[NH2+]CCSCc2ccccc2)CC1 ZINC000281156196 195128378 /nfs/dbraw/zinc/12/83/78/195128378.db2.gz PIIKWNBSFDSSCN-UHFFFAOYSA-N 2 0 276.449 2.771 20 0 CFADRP CCC[NH+]1CCC(C[NH2+]CC2(COC)CCC2)CC1 ZINC000638563721 384741947 /nfs/dbraw/zinc/74/19/47/384741947.db2.gz QZJYGSZTTDKCOL-UHFFFAOYSA-N 2 0 268.445 2.515 20 0 CFADRP CC[NH+]1CCC(C[NH2+]C[C@@H](Cc2ccccc2)OC)CC1 ZINC000638565150 384744337 /nfs/dbraw/zinc/74/43/37/384744337.db2.gz MJOQMCCAUSDISX-GOSISDBHSA-N 2 0 290.451 2.566 20 0 CFADRP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000638587880 384760792 /nfs/dbraw/zinc/76/07/92/384760792.db2.gz IEWQCGBYNNSHQN-ZBFHGGJFSA-N 2 0 268.445 2.513 20 0 CFADRP Cn1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc2ccccc21 ZINC000638587056 384760995 /nfs/dbraw/zinc/76/09/95/384760995.db2.gz ACEVCJZTPAZSMB-AWEZNQCLSA-N 2 0 271.408 2.610 20 0 CFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCOC1 ZINC000643802485 384767832 /nfs/dbraw/zinc/76/78/32/384767832.db2.gz FPMNYGDOPQVOLW-MRXNPFEDSA-N 2 0 276.424 2.523 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000643894975 384784167 /nfs/dbraw/zinc/78/41/67/384784167.db2.gz OINOQMMNKQPAIZ-HZPDHXFCSA-N 2 0 262.397 2.542 20 0 CFADRP C[C@H](Cc1ccc(F)cc1)[NH2+]CCN1CC=CCC1 ZINC000279853492 384787331 /nfs/dbraw/zinc/78/73/31/384787331.db2.gz SALANIKXLQUQOM-CQSZACIVSA-N 2 0 262.372 2.608 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@@H]1CS[C@H](C)C1)C(C)C ZINC000638735078 384876555 /nfs/dbraw/zinc/87/65/55/384876555.db2.gz NTMVKFAUVDHFCY-KGLIPLIRSA-N 2 0 258.475 2.979 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)OC ZINC000638701920 384849890 /nfs/dbraw/zinc/84/98/90/384849890.db2.gz WTHXRGWEDLTRQS-MOTUXRJWSA-N 2 0 268.445 2.652 20 0 CFADRP C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[C@H]1CCO1 ZINC000638721739 384864336 /nfs/dbraw/zinc/86/43/36/384864336.db2.gz QJDDTHYANFHHPO-KRWDZBQOSA-N 2 0 280.456 2.942 20 0 CFADRP Cc1ccncc1C[NH2+]CCCCCCC[NH+](C)C ZINC000280059125 384868693 /nfs/dbraw/zinc/86/86/93/384868693.db2.gz WSYFMPYFBIESLD-UHFFFAOYSA-N 2 0 263.429 2.992 20 0 CFADRP CCC1(C[NH2+]C[C@@H](C)O)CC[NH+](Cc2ccccc2)CC1 ZINC000644608544 384955858 /nfs/dbraw/zinc/95/58/58/384955858.db2.gz ZCFIDFJCTRNNKA-MRXNPFEDSA-N 2 0 290.451 2.649 20 0 CFADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1 ZINC000644407113 384903580 /nfs/dbraw/zinc/90/35/80/384903580.db2.gz XEJBSGKNTLNQPD-UHFFFAOYSA-N 2 0 298.377 2.762 20 0 CFADRP C[C@H]1C[C@H]([NH2+]C2CCC(C[NH+](C)C)CC2)CS1 ZINC000638779330 384912804 /nfs/dbraw/zinc/91/28/04/384912804.db2.gz KBOVFPRUUBJXBT-ABXWRUBCSA-N 2 0 256.459 2.590 20 0 CFADRP OC1(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC000644519540 384914939 /nfs/dbraw/zinc/91/49/39/384914939.db2.gz ZIORTCYCCUVJCI-UHFFFAOYSA-N 2 0 288.435 2.677 20 0 CFADRP CC[C@](C)(C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)OC ZINC000638787843 384918866 /nfs/dbraw/zinc/91/88/66/384918866.db2.gz LPLBDGQYDCVTKF-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000638787808 384919274 /nfs/dbraw/zinc/91/92/74/384919274.db2.gz GTIZKBNYKIZEDJ-KFWWJZLASA-N 2 0 270.486 2.838 20 0 CFADRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000638850847 384985005 /nfs/dbraw/zinc/98/50/05/384985005.db2.gz HNIGFEGMUHCXJR-BJWYYQGGSA-N 2 0 258.409 2.884 20 0 CFADRP C[C@@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000638879285 385012393 /nfs/dbraw/zinc/01/23/93/385012393.db2.gz WMHFUXXUBGTFGI-INIZCTEOSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)n1nccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000280442378 385019139 /nfs/dbraw/zinc/01/91/39/385019139.db2.gz YDQJMNUZFKOBFA-UHFFFAOYSA-N 2 0 286.423 2.815 20 0 CFADRP CSCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280509120 385038956 /nfs/dbraw/zinc/03/89/56/385038956.db2.gz RGVBBFKUXSMSAG-CALCHBBNSA-N 2 0 290.476 2.803 20 0 CFADRP Cc1ccncc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000280798903 385158122 /nfs/dbraw/zinc/15/81/22/385158122.db2.gz HBBXPQSVNXBZDD-HNNXBMFYSA-N 2 0 263.429 2.846 20 0 CFADRP Cc1ccncc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000280798906 385159093 /nfs/dbraw/zinc/15/90/93/385159093.db2.gz HBBXPQSVNXBZDD-OAHLLOKOSA-N 2 0 263.429 2.846 20 0 CFADRP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]c4c(O)cccc34)C2)C1 ZINC000645048430 385171550 /nfs/dbraw/zinc/17/15/50/385171550.db2.gz NSMDJUVCQJLWRZ-SFHVURJKSA-N 2 0 297.402 2.863 20 0 CFADRP CC(C)[NH+](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C(C)C ZINC000645167988 385222940 /nfs/dbraw/zinc/22/29/40/385222940.db2.gz XWLJCRAWOIHKRA-HOTGVXAUSA-N 2 0 297.487 2.519 20 0 CFADRP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H]1CC1(F)F ZINC000639125657 385224008 /nfs/dbraw/zinc/22/40/08/385224008.db2.gz YVTWSYUMKJQITR-YWPUVAFDSA-N 2 0 258.356 2.637 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)OC ZINC000639124960 385225188 /nfs/dbraw/zinc/22/51/88/385225188.db2.gz OBDKMIBAXRIRAT-PRLABOORSA-N 2 0 268.445 2.654 20 0 CFADRP C(C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1)C[C@H]1CCO1 ZINC000639132664 385232348 /nfs/dbraw/zinc/23/23/48/385232348.db2.gz CTGXVPYVAPRNKC-SJORKVTESA-N 2 0 280.456 2.942 20 0 CFADRP C[N@@H+]1CC[C@]2(CC[NH+](CC(C)(C)Oc3ccccc3)C2)C1 ZINC000639203891 385322718 /nfs/dbraw/zinc/32/27/18/385322718.db2.gz MSCFJVOWPTUOLY-SFHVURJKSA-N 2 0 288.435 2.872 20 0 CFADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c(C)c1OC ZINC000423118696 533111475 /nfs/dbraw/zinc/11/14/75/533111475.db2.gz BYFPYPDBWDIPMM-ZIAGYGMSSA-N 2 0 292.423 2.805 20 0 CFADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(C4CC4)no3)C2)CC1 ZINC000639176164 385281622 /nfs/dbraw/zinc/28/16/22/385281622.db2.gz CTWONBMSTUEMMN-OAHLLOKOSA-N 2 0 289.423 2.716 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(F)c3N)C2)CC1 ZINC000639177050 385285339 /nfs/dbraw/zinc/28/53/39/385285339.db2.gz OTWCMDWOWHHVGG-AWEZNQCLSA-N 2 0 291.414 2.572 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)ccc1F ZINC000153610293 533114256 /nfs/dbraw/zinc/11/42/56/533114256.db2.gz WIBBLSMRWJGMDI-GFCCVEGCSA-N 2 0 280.387 2.827 20 0 CFADRP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271158950 385355987 /nfs/dbraw/zinc/35/59/87/385355987.db2.gz FEKIWGJOTDNXME-CYBMUJFWSA-N 2 0 257.381 2.551 20 0 CFADRP Cc1nc2ccccc2nc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000639247446 385377966 /nfs/dbraw/zinc/37/79/66/385377966.db2.gz UYXYDNHCGZQUKP-UHFFFAOYSA-N 2 0 298.434 2.902 20 0 CFADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000423186925 533118122 /nfs/dbraw/zinc/11/81/22/533118122.db2.gz OQGOMSHNZDXNJV-QWHCGFSZSA-N 2 0 292.423 2.537 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC1(F)F ZINC000639285672 385412690 /nfs/dbraw/zinc/41/26/90/385412690.db2.gz IUOZLMIUOOFOPR-UKMLZYKCSA-N 2 0 294.389 2.965 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])ccc1OC(F)F ZINC000423230557 533117241 /nfs/dbraw/zinc/11/72/41/533117241.db2.gz JKSWKOUXXWUENK-VHSXEESVSA-N 2 0 288.338 2.685 20 0 CFADRP CCCN1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639328223 385455091 /nfs/dbraw/zinc/45/50/91/385455091.db2.gz BLHYCSPPUUINCO-DLBZAZTESA-N 2 0 287.451 2.587 20 0 CFADRP C([NH2+][C@H]1CCCN2CCCC[C@H]12)C1CCSCC1 ZINC000639302299 385428958 /nfs/dbraw/zinc/42/89/58/385428958.db2.gz LDXLTJROUWEDMK-LSDHHAIUSA-N 2 0 268.470 2.736 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCc3ccccc3C2)C1 ZINC000639309782 385436471 /nfs/dbraw/zinc/43/64/71/385436471.db2.gz DZSRJZRQCAJLKM-RKVPGOIHSA-N 2 0 272.436 2.721 20 0 CFADRP C(C[NH2+]C[C@H]1CCN1C1CCCCC1)C[C@@H]1CCO1 ZINC000639345430 385469592 /nfs/dbraw/zinc/46/95/92/385469592.db2.gz LMPOIPDIMKDYIS-HZPDHXFCSA-N 2 0 266.429 2.552 20 0 CFADRP C[C@H]([NH2+]CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272241299 385484177 /nfs/dbraw/zinc/48/41/77/385484177.db2.gz WPGVMYIVGGRCSD-YOEHRIQHSA-N 2 0 258.409 2.897 20 0 CFADRP COCC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000639335182 385461167 /nfs/dbraw/zinc/46/11/67/385461167.db2.gz NRDRTRRKBUPSLI-UHFFFAOYSA-N 2 0 280.456 2.515 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)OC ZINC000639335542 385461345 /nfs/dbraw/zinc/46/13/45/385461345.db2.gz TZBWKNOHTPDOIL-RHSMWYFYSA-N 2 0 282.472 2.759 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000639374539 385491042 /nfs/dbraw/zinc/49/10/42/385491042.db2.gz GWAZDPLJMIWIKW-AWEZNQCLSA-N 2 0 268.470 2.690 20 0 CFADRP CC[NH+]1CCC(N[C@@H](CCOC)c2ccc(C)o2)CC1 ZINC000272262685 385491682 /nfs/dbraw/zinc/49/16/82/385491682.db2.gz AVTUIKPYDSGVRQ-HNNXBMFYSA-N 2 0 280.412 2.740 20 0 CFADRP CC[C@@H](C)[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)OC ZINC000639375293 385492578 /nfs/dbraw/zinc/49/25/78/385492578.db2.gz SUELIRQNBGZULI-CVEARBPZSA-N 2 0 282.472 2.998 20 0 CFADRP CCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1O ZINC000283720685 385492972 /nfs/dbraw/zinc/49/29/72/385492972.db2.gz BBZSDTNXWZAQCT-ZFWWWQNUSA-N 2 0 292.423 2.705 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](C)COC)CC1 ZINC000639376218 385493722 /nfs/dbraw/zinc/49/37/22/385493722.db2.gz YLBUOBQLKOXNSA-OAHLLOKOSA-N 2 0 268.445 2.609 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000639378140 385495206 /nfs/dbraw/zinc/49/52/06/385495206.db2.gz BZDMEWSXWVZDEG-CYBMUJFWSA-N 2 0 256.459 2.546 20 0 CFADRP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000639378141 385495646 /nfs/dbraw/zinc/49/56/46/385495646.db2.gz BZDMEWSXWVZDEG-ZDUSSCGKSA-N 2 0 256.459 2.546 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312395 385507401 /nfs/dbraw/zinc/50/74/01/385507401.db2.gz JASHFCILFSGDGB-CIRFHOKZSA-N 2 0 288.435 2.664 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272312392 385508040 /nfs/dbraw/zinc/50/80/40/385508040.db2.gz JASHFCILFSGDGB-BURFUSLBSA-N 2 0 288.435 2.664 20 0 CFADRP CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272403361 385529342 /nfs/dbraw/zinc/52/93/42/385529342.db2.gz ZOUYMPVZTDUZEZ-CUSZFKRNSA-N 2 0 290.451 2.910 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000639454891 385539752 /nfs/dbraw/zinc/53/97/52/385539752.db2.gz JQUZWKFSEQRMJS-RDJZCZTQSA-N 2 0 282.472 2.855 20 0 CFADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000639473579 385550487 /nfs/dbraw/zinc/55/04/87/385550487.db2.gz FAVCXZCMHRRTIX-RCCFBDPRSA-N 2 0 294.483 2.999 20 0 CFADRP CCOCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272487260 385550612 /nfs/dbraw/zinc/55/06/12/385550612.db2.gz MRSHVAURJUTYLP-RDJZCZTQSA-N 2 0 276.424 2.523 20 0 CFADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639474910 385552242 /nfs/dbraw/zinc/55/22/42/385552242.db2.gz WQLOPGHLXATDFG-INIZCTEOSA-N 2 0 282.472 2.854 20 0 CFADRP COCC1(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423140871 533130769 /nfs/dbraw/zinc/13/07/69/533130769.db2.gz ZOWPRFIJDFYDGK-OAGGEKHMSA-N 2 0 280.456 2.704 20 0 CFADRP COCC1(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CCC1 ZINC000423140423 533130848 /nfs/dbraw/zinc/13/08/48/533130848.db2.gz YEPIXQHFZUKDFM-NVXWUHKLSA-N 2 0 290.451 2.741 20 0 CFADRP C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000639579754 385592961 /nfs/dbraw/zinc/59/29/61/385592961.db2.gz KMVBKFKSPBSGGT-HIFRSBDPSA-N 2 0 289.423 2.530 20 0 CFADRP C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288715479 197151210 /nfs/dbraw/zinc/15/12/10/197151210.db2.gz ZNOMVYFJYMVOBB-ZBFHGGJFSA-N 2 0 291.439 2.690 20 0 CFADRP CC[C@](C)(CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272873612 385637362 /nfs/dbraw/zinc/63/73/62/385637362.db2.gz WOZRQWVFOVEMAQ-KBAYOESNSA-N 2 0 290.451 2.648 20 0 CFADRP Cc1nccn1CCCN(C)c1nc(C)nc2c1CCCC2 ZINC000272955319 385665686 /nfs/dbraw/zinc/66/56/86/385665686.db2.gz ZGZQTQYKULYTDN-UHFFFAOYSA-N 2 0 299.422 2.695 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682950 385659509 /nfs/dbraw/zinc/65/95/09/385659509.db2.gz NFTXXRKVTAXSIX-OAHLLOKOSA-N 2 0 282.391 2.750 20 0 CFADRP c1cc(N2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC000639685219 385660780 /nfs/dbraw/zinc/66/07/80/385660780.db2.gz QTUFSYROSNXIIW-MUJYYYPQSA-N 2 0 271.408 2.640 20 0 CFADRP C[C@@H](c1ccccn1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704147 385675818 /nfs/dbraw/zinc/67/58/18/385675818.db2.gz OPYYBIQPBJDQKM-HNNXBMFYSA-N 2 0 282.391 2.750 20 0 CFADRP CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2C)CC[C@@H]1[NH3+] ZINC000122876679 413008096 /nfs/dbraw/zinc/00/80/96/413008096.db2.gz XHJHPMVIHKCBJK-ZFWWWQNUSA-N 2 0 292.423 2.571 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000639758773 385697312 /nfs/dbraw/zinc/69/73/12/385697312.db2.gz WEMWDKWLPFLACG-CYBMUJFWSA-N 2 0 272.383 2.840 20 0 CFADRP Cc1cccc2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cn21 ZINC000639757646 385698446 /nfs/dbraw/zinc/69/84/46/385698446.db2.gz KNHDMNFNTDHNKH-UHFFFAOYSA-N 2 0 298.434 2.560 20 0 CFADRP C[NH+]1CCC2(CC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000639759662 385699604 /nfs/dbraw/zinc/69/96/04/385699604.db2.gz GAFQRAJUOUHYAG-UHFFFAOYSA-N 2 0 285.391 2.746 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]CCSCc1ccccc1 ZINC000274346006 385773538 /nfs/dbraw/zinc/77/35/38/385773538.db2.gz GCYMNPYDYWOSRW-CQSZACIVSA-N 2 0 266.454 2.850 20 0 CFADRP Cc1ccc2c(c1)nc(CN[C@@H]1CC[N@@H+]3CCC[C@H]3C1)n2C ZINC000274449919 385802044 /nfs/dbraw/zinc/80/20/44/385802044.db2.gz SGBSVHZWTBTFFK-CABCVRRESA-N 2 0 298.434 2.598 20 0 CFADRP CC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000639984500 385805624 /nfs/dbraw/zinc/80/56/24/385805624.db2.gz WOLZEQQGRYKTGU-HNNXBMFYSA-N 2 0 266.429 2.506 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](CCC2(O)CCC2)CC1 ZINC000639986802 385807220 /nfs/dbraw/zinc/80/72/20/385807220.db2.gz SKKNZTBYOHVRQE-UHFFFAOYSA-N 2 0 280.456 2.632 20 0 CFADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000639987328 385808112 /nfs/dbraw/zinc/80/81/12/385808112.db2.gz HQKGQYGLNFSGCT-HOTGVXAUSA-N 2 0 280.456 2.752 20 0 CFADRP CC[NH+]1CCC(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274413051 385791734 /nfs/dbraw/zinc/79/17/34/385791734.db2.gz FBOJBLLWTJXFFY-CRAIPNDOSA-N 2 0 289.467 2.752 20 0 CFADRP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000274866983 385887329 /nfs/dbraw/zinc/88/73/29/385887329.db2.gz RPIWKOLFTXLOGP-ZJPYXAASSA-N 2 0 270.420 2.959 20 0 CFADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)O ZINC000274789953 385870975 /nfs/dbraw/zinc/87/09/75/385870975.db2.gz NLQXJHGASPQDCZ-WBVHZDCISA-N 2 0 290.451 2.648 20 0 CFADRP C[N@H+](CCC[NH3+])CCOc1ccc(Cl)cc1Cl ZINC000123336118 413011548 /nfs/dbraw/zinc/01/15/48/413011548.db2.gz WPTBICNVEMLWQO-UHFFFAOYSA-N 2 0 277.195 2.653 20 0 CFADRP COc1cc2c(cc1F)C[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC000414756816 533163577 /nfs/dbraw/zinc/16/35/77/533163577.db2.gz KIKKEMOJWBOYCC-QWHCGFSZSA-N 2 0 292.398 2.581 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000124876427 413014492 /nfs/dbraw/zinc/01/44/92/413014492.db2.gz BKJPXHQYBFYVKE-DMRZNYOFSA-N 2 0 250.430 2.933 20 0 CFADRP COC[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000247111184 285235786 /nfs/dbraw/zinc/23/57/86/285235786.db2.gz QOYWLKGGJQJRIM-OWCLPIDISA-N 2 0 270.461 2.615 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@@H](C)C[NH3+])c2ccccc2)cc1 ZINC000423301360 533195335 /nfs/dbraw/zinc/19/53/35/533195335.db2.gz FUDVAPXYNIIXHI-KBXCAEBGSA-N 2 0 284.403 2.969 20 0 CFADRP CC(C)CC(CC(C)C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128539 262230831 /nfs/dbraw/zinc/23/08/31/262230831.db2.gz WLXFTJWWPUQIOL-UHFFFAOYSA-N 2 0 283.504 2.674 20 0 CFADRP COC[C@@H](C)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682151154 542527010 /nfs/dbraw/zinc/52/70/10/542527010.db2.gz OBGXGPKXRJEVPI-INIZCTEOSA-N 2 0 282.472 2.857 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(O)cc2)C[C@@H]1C ZINC000682404365 542547959 /nfs/dbraw/zinc/54/79/59/542547959.db2.gz DAOYSTFXBNRCJE-DZGCQCFKSA-N 2 0 262.397 2.697 20 0 CFADRP C[C@@H]1SCC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H]1C ZINC000133030650 413041098 /nfs/dbraw/zinc/04/10/98/413041098.db2.gz HBGHZGPMSDZUHN-STQMWFEESA-N 2 0 276.449 2.658 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1F ZINC000020200379 542571064 /nfs/dbraw/zinc/57/10/64/542571064.db2.gz QBGLTQIKMWQBLO-AWEZNQCLSA-N 2 0 293.430 2.502 20 0 CFADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccs1 ZINC000020200510 542571122 /nfs/dbraw/zinc/57/11/22/542571122.db2.gz QUOQQWPBUBLERA-AWEZNQCLSA-N 2 0 295.496 2.815 20 0 CFADRP COC(=O)C1(C)CCC([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CC1 ZINC001168769052 781991569 /nfs/dbraw/zinc/99/15/69/781991569.db2.gz YZJMBQPCNGZNKW-NYKLAOPUSA-N 2 0 296.455 2.571 20 0 CFADRP C1=C(c2nccc3c2CC[N@@H+](Cc2ccccc2)C3)C[NH2+]C1 ZINC001243109632 781992496 /nfs/dbraw/zinc/99/24/96/781992496.db2.gz BIGFKDPIXOEIIM-UHFFFAOYSA-N 2 0 291.398 2.627 20 0 CFADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000094827359 184876345 /nfs/dbraw/zinc/87/63/45/184876345.db2.gz WYIVGPLRUGYRRV-NSHDSACASA-N 2 0 256.340 2.957 20 0 CFADRP C[N@H+]1CC=C(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281643335 195320471 /nfs/dbraw/zinc/32/04/71/195320471.db2.gz PEIRMDBSWKTXSS-MRXNPFEDSA-N 2 0 275.371 2.523 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000422816858 285373266 /nfs/dbraw/zinc/37/32/66/285373266.db2.gz GENCEBXPSOLGJN-AVGNSLFASA-N 2 0 296.377 2.699 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2N(C)C)C1 ZINC000093942666 285382115 /nfs/dbraw/zinc/38/21/15/285382115.db2.gz NVZLHGZTPNLKGI-LSDHHAIUSA-N 2 0 275.440 2.745 20 0 CFADRP Oc1ccc(C2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420317148 285384203 /nfs/dbraw/zinc/38/42/03/285384203.db2.gz NJQGBTGIVNKMIH-HNNXBMFYSA-N 2 0 288.435 2.961 20 0 CFADRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000414954998 533236581 /nfs/dbraw/zinc/23/65/81/533236581.db2.gz MHIYJMDAOQJZHP-FGTMMUONSA-N 2 0 288.435 2.681 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423488715 285392379 /nfs/dbraw/zinc/39/23/79/285392379.db2.gz VOMJVEOSNUTTIK-BBRMVZONSA-N 2 0 274.408 2.891 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423548434 285393434 /nfs/dbraw/zinc/39/34/34/285393434.db2.gz REGDRDKSLPPZCQ-OEUWWYETSA-N 2 0 286.419 2.747 20 0 CFADRP COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422720898 533269047 /nfs/dbraw/zinc/26/90/47/533269047.db2.gz UCZKLCBZPDLYBA-OLZOCXBDSA-N 2 0 294.464 2.684 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423079780 285406591 /nfs/dbraw/zinc/40/65/91/285406591.db2.gz AVHQFPFJIJLLBN-SUNKGSAMSA-N 2 0 270.804 2.743 20 0 CFADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000414064754 533377708 /nfs/dbraw/zinc/37/77/08/533377708.db2.gz GCTSVKLETQWELF-HUUCEWRRSA-N 2 0 278.444 2.725 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])[C@H](C)c1nc2ccccc2s1 ZINC000423193433 533379082 /nfs/dbraw/zinc/37/90/82/533379082.db2.gz QRXOZIKPEFSMDJ-WDEREUQCSA-N 2 0 263.410 2.727 20 0 CFADRP C[C@@H]([NH2+]CCCCc1ccc(F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000423055047 533380110 /nfs/dbraw/zinc/38/01/10/533380110.db2.gz VMGHLFBEPASKBM-TZMCWYRMSA-N 2 0 282.378 2.875 20 0 CFADRP COc1ccc2cc(C[NH2+][C@@H](C)C3C[NH2+]C3)ccc2c1 ZINC000422797513 533330548 /nfs/dbraw/zinc/33/05/48/533330548.db2.gz MZJDDPBRLDRVHV-LBPRGKRZSA-N 2 0 270.376 2.546 20 0 CFADRP C[C@@H]([NH2+]Cc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414858546 533453284 /nfs/dbraw/zinc/45/32/84/533453284.db2.gz RXPVXIFFYAFZKL-DGCLKSJQSA-N 2 0 297.240 2.927 20 0 CFADRP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)[C@H]1CCCOC1 ZINC000423265541 533398076 /nfs/dbraw/zinc/39/80/76/533398076.db2.gz BEUXCUPCGIADEK-CABCVRRESA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H](NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422727054 533415965 /nfs/dbraw/zinc/41/59/65/533415965.db2.gz BJVXIXCTQVIICE-NXHRZFHOSA-N 2 0 287.451 2.554 20 0 CFADRP C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000423101629 533419391 /nfs/dbraw/zinc/41/93/91/533419391.db2.gz WDYBUHVIXACJSL-HYVNUMGLSA-N 2 0 279.472 2.514 20 0 CFADRP C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422759685 533426244 /nfs/dbraw/zinc/42/62/44/533426244.db2.gz LHPUKHFHTUHUTQ-LZLYRXPVSA-N 2 0 290.451 2.960 20 0 CFADRP COc1cccc(CCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422936438 533457627 /nfs/dbraw/zinc/45/76/27/533457627.db2.gz BPQLKAGPYLGABZ-WBVHZDCISA-N 2 0 276.424 2.735 20 0 CFADRP COc1cccc(C2(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)CC2)c1 ZINC000423124951 533435982 /nfs/dbraw/zinc/43/59/82/533435982.db2.gz PLPFNEZIALAKRC-WMLDXEAASA-N 2 0 288.435 2.705 20 0 CFADRP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414777962 533479953 /nfs/dbraw/zinc/47/99/53/533479953.db2.gz ISBDLQYIVUOWJU-CVEARBPZSA-N 2 0 274.408 2.517 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(NC(=O)C2CC2)cc1 ZINC000422809866 533497818 /nfs/dbraw/zinc/49/78/18/533497818.db2.gz SNGCPHAQEWBQDS-RWMBFGLXSA-N 2 0 289.423 2.812 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c1ccc(-n2cccn2)c(F)c1 ZINC000423127542 533498469 /nfs/dbraw/zinc/49/84/69/533498469.db2.gz CBUDDWVDSSVJSA-RWMBFGLXSA-N 2 0 290.386 2.788 20 0 CFADRP C[C@@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)C1C[NH2+]C1 ZINC000422835115 533531827 /nfs/dbraw/zinc/53/18/27/533531827.db2.gz IHVUXFQADDKPIE-UVWXRNBGSA-N 2 0 262.372 2.647 20 0 CFADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)[NH3+])c(Cl)c1 ZINC000422889202 533500461 /nfs/dbraw/zinc/50/04/61/533500461.db2.gz OYPCZEHJZRNMGZ-GHMZBOCLSA-N 2 0 270.804 2.607 20 0 CFADRP COc1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000422714638 533501607 /nfs/dbraw/zinc/50/16/07/533501607.db2.gz RGMOHHCEIZXNLB-GJZGRUSLSA-N 2 0 280.387 2.626 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422784251 533512777 /nfs/dbraw/zinc/51/27/77/533512777.db2.gz NUOBYZQPOBYVBR-IHRRRGAJSA-N 2 0 264.413 2.732 20 0 CFADRP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414876737 533579858 /nfs/dbraw/zinc/57/98/58/533579858.db2.gz DWEQRZOHQGAAFU-VIFPVBQESA-N 2 0 267.423 2.699 20 0 CFADRP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Br)cc1 ZINC000422792533 533533067 /nfs/dbraw/zinc/53/30/67/533533067.db2.gz ZLAINOMCULIUIQ-NXEZZACHSA-N 2 0 283.213 2.708 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCCN1CCc2ccccc2C1 ZINC000422807779 533537858 /nfs/dbraw/zinc/53/78/58/533537858.db2.gz NCZAGGDXZVFKNA-INIZCTEOSA-N 2 0 289.467 2.542 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]CCc1cccc(F)c1F ZINC000422961762 533537999 /nfs/dbraw/zinc/53/79/99/533537999.db2.gz ZUEGLGCBNJSUOO-NSHDSACASA-N 2 0 256.340 2.614 20 0 CFADRP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000423113612 533538080 /nfs/dbraw/zinc/53/80/80/533538080.db2.gz URCCRMLOZDHOMG-CGTJXYLNSA-N 2 0 288.435 2.679 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423168684 533539427 /nfs/dbraw/zinc/53/94/27/533539427.db2.gz HVOSAXFHVXOORR-GJZGRUSLSA-N 2 0 263.429 2.900 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423145238 533553861 /nfs/dbraw/zinc/55/38/61/533553861.db2.gz JSPPXAQMIAIALR-LBPRGKRZSA-N 2 0 292.814 2.743 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000415017683 533554880 /nfs/dbraw/zinc/55/48/80/533554880.db2.gz FSEAVOWVIYHZJP-NSHDSACASA-N 2 0 290.329 2.845 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000414775054 533558188 /nfs/dbraw/zinc/55/81/88/533558188.db2.gz GBRZCTVJSBGJLY-CABCVRRESA-N 2 0 292.398 2.656 20 0 CFADRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000414788116 533558360 /nfs/dbraw/zinc/55/83/60/533558360.db2.gz WGTGQBPXUIZKSZ-SJORKVTESA-N 2 0 288.435 2.825 20 0 CFADRP C[C@@H](CCCc1cccnc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000415118480 533568152 /nfs/dbraw/zinc/56/81/52/533568152.db2.gz YHFOCURMFBXYCB-UQPPLGOBSA-N 2 0 275.440 2.900 20 0 CFADRP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000423365059 533659162 /nfs/dbraw/zinc/65/91/62/533659162.db2.gz CTPGKFQQJNIWOY-MDASCCDHSA-N 2 0 297.446 2.912 20 0 CFADRP Cn1nc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c2ccccc21 ZINC000682781883 542592414 /nfs/dbraw/zinc/59/24/14/542592414.db2.gz CGLCCSJKKJMOMO-UHFFFAOYSA-N 2 0 298.434 2.634 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@@H]3CCCCS3)CC2)cc[nH+]1 ZINC000156396632 285442726 /nfs/dbraw/zinc/44/27/26/285442726.db2.gz MTMNROBDSOKLPH-INIZCTEOSA-N 2 0 291.464 2.926 20 0 CFADRP CC(C)(C[NH2+]Cc1ccc(O)cc1)C[NH+]1CCCC1 ZINC000683001673 542625370 /nfs/dbraw/zinc/62/53/70/542625370.db2.gz XPLKWBNJMXCPKH-UHFFFAOYSA-N 2 0 262.397 2.604 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342095669 130256251 /nfs/dbraw/zinc/25/62/51/130256251.db2.gz YJEDZKGKIYRXBR-RCCFBDPRSA-N 2 0 272.436 2.987 20 0 CFADRP Cc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342095667 130256668 /nfs/dbraw/zinc/25/66/68/130256668.db2.gz YJEDZKGKIYRXBR-KSZLIROESA-N 2 0 272.436 2.987 20 0 CFADRP Cc1ccccc1OCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342099538 130260518 /nfs/dbraw/zinc/26/05/18/130260518.db2.gz JTIVUKWZMCCLBU-YESZJQIVSA-N 2 0 288.435 2.823 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000355374867 130294738 /nfs/dbraw/zinc/29/47/38/130294738.db2.gz CONLJEBRECPRKU-LSDHHAIUSA-N 2 0 297.487 2.534 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CC2CCC2)CC1 ZINC000342084466 130297760 /nfs/dbraw/zinc/29/77/60/130297760.db2.gz BAPNVVXEYOHRJP-UHFFFAOYSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cc(NC(=O)c2ccc3c[nH+]cn3c2)cn2ccnc12 ZINC000355433595 130305285 /nfs/dbraw/zinc/30/52/85/130305285.db2.gz HEPWYCPOOIGROT-UHFFFAOYSA-N 2 0 291.314 2.543 20 0 CFADRP COc1c[nH+]ccc1N1CC[NH+](CCCC(C)C)CC1 ZINC000355645421 130328519 /nfs/dbraw/zinc/32/85/19/130328519.db2.gz CZDMFWDFTJBISX-UHFFFAOYSA-N 2 0 277.412 2.648 20 0 CFADRP Cc1cc(C)cc(OCCC[NH2+]CC2([NH3+])CCC2)c1 ZINC000342152862 130345311 /nfs/dbraw/zinc/34/53/11/130345311.db2.gz YYMJXNOPTMLBNU-UHFFFAOYSA-N 2 0 262.397 2.543 20 0 CFADRP C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)CCS1 ZINC000192187686 130390160 /nfs/dbraw/zinc/39/01/60/130390160.db2.gz XBLWSRAXZQYOGS-ZDUSSCGKSA-N 2 0 288.420 2.595 20 0 CFADRP C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000192673987 130534934 /nfs/dbraw/zinc/53/49/34/130534934.db2.gz LLFGIROCODSRQV-MAUKXSAKSA-N 2 0 288.435 2.797 20 0 CFADRP c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000037374110 285478030 /nfs/dbraw/zinc/47/80/30/285478030.db2.gz XJYFJDICEFHLSC-UHFFFAOYSA-N 2 0 267.376 2.840 20 0 CFADRP COc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000245620037 131086940 /nfs/dbraw/zinc/08/69/40/131086940.db2.gz NMFWVGAGRXLJOC-SJORKVTESA-N 2 0 288.435 2.969 20 0 CFADRP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000245682522 131087006 /nfs/dbraw/zinc/08/70/06/131087006.db2.gz MXHBMJLDTGXKHI-SRABZTEZSA-N 2 0 276.424 2.571 20 0 CFADRP C[C@@H]1CO[C@@H](c2ccccc2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000245591376 131087835 /nfs/dbraw/zinc/08/78/35/131087835.db2.gz GLCKPAQNXYZENW-KBAYOESNSA-N 2 0 288.435 2.933 20 0 CFADRP Cc1ccccc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247402311 131103649 /nfs/dbraw/zinc/10/36/49/131103649.db2.gz XLWIRPVMOHUWNB-BFYDXBDKSA-N 2 0 260.425 2.856 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccs1)N(C)C ZINC000249306822 131121119 /nfs/dbraw/zinc/12/11/19/131121119.db2.gz JUFJIXBKSYYNAC-KBUPBQIOSA-N 2 0 295.496 2.669 20 0 CFADRP CCOCc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250405266 131124449 /nfs/dbraw/zinc/12/44/49/131124449.db2.gz SUPIZUPWVGTIHY-MSOLQXFVSA-N 2 0 288.435 2.940 20 0 CFADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261733137 131165169 /nfs/dbraw/zinc/16/51/69/131165169.db2.gz LBHBIUNOTYETGZ-LSDHHAIUSA-N 2 0 289.423 2.513 20 0 CFADRP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401156948 285506554 /nfs/dbraw/zinc/50/65/54/285506554.db2.gz ROFGQWXDAWIGDY-MPTYRVRUSA-N 2 0 256.393 2.652 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(O)ccc3C2)CC1 ZINC000683723113 542715472 /nfs/dbraw/zinc/71/54/72/542715472.db2.gz OPYFWMSCEJXIAD-KRWDZBQOSA-N 2 0 288.435 2.714 20 0 CFADRP C[C@H]1C[C@H](NCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268707721 132053523 /nfs/dbraw/zinc/05/35/23/132053523.db2.gz IYHOUUHXQOSAMS-FUHWJXTLSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H]1C[C@@H](NCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268707724 132053656 /nfs/dbraw/zinc/05/36/56/132053656.db2.gz IYHOUUHXQOSAMS-WMZOPIPTSA-N 2 0 289.467 2.581 20 0 CFADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000268734837 132058075 /nfs/dbraw/zinc/05/80/75/132058075.db2.gz NQCDAIIWDQGHJA-CABCVRRESA-N 2 0 276.424 2.795 20 0 CFADRP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000268788428 132066443 /nfs/dbraw/zinc/06/64/43/132066443.db2.gz FUJDPAYVFAMQAV-KBPBESRZSA-N 2 0 296.480 2.973 20 0 CFADRP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000268837985 132074807 /nfs/dbraw/zinc/07/48/07/132074807.db2.gz DTXCGFWDIGQVPZ-JFIYKMOQSA-N 2 0 289.467 2.579 20 0 CFADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000268956696 132093179 /nfs/dbraw/zinc/09/31/79/132093179.db2.gz DMINFYJTTXJKQI-OAHLLOKOSA-N 2 0 296.842 2.837 20 0 CFADRP Cc1ccc2ncc(C[NH2+]C[C@](C)(O)c3ccccc3)n2c1 ZINC000269367577 132160882 /nfs/dbraw/zinc/16/08/82/132160882.db2.gz RQXZOZJZCZNDOG-SFHVURJKSA-N 2 0 295.386 2.640 20 0 CFADRP C[NH+](C)CC1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000372398828 393447488 /nfs/dbraw/zinc/44/74/88/393447488.db2.gz VZOXRRKBDDSWMH-MRXNPFEDSA-N 2 0 288.435 2.826 20 0 CFADRP CC[NH+](CC)CCCN(C)Cc1ccc(OC)cc1OC ZINC000179381315 393466653 /nfs/dbraw/zinc/46/66/53/393466653.db2.gz LBHFZFWUCGMSBE-UHFFFAOYSA-N 2 0 294.439 2.868 20 0 CFADRP CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300710146 393468310 /nfs/dbraw/zinc/46/83/10/393468310.db2.gz YNXKZHKAHMBMQG-ARFHVFGLSA-N 2 0 262.397 2.518 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@H]12 ZINC000182479994 393510546 /nfs/dbraw/zinc/51/05/46/393510546.db2.gz WBXCFUINYKTEKT-QXSJWSMHSA-N 2 0 250.430 2.981 20 0 CFADRP c1cnc2c(c1)CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC000421819515 285548283 /nfs/dbraw/zinc/54/82/83/285548283.db2.gz HNGPZQPJRGXUOO-QGZVFWFLSA-N 2 0 287.451 2.795 20 0 CFADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000187887670 393559075 /nfs/dbraw/zinc/55/90/75/393559075.db2.gz LDPHHHRJJALKSA-RANZSIQMSA-N 2 0 294.483 2.923 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000332183922 393559366 /nfs/dbraw/zinc/55/93/66/393559366.db2.gz ARAKWCPJWWFSCL-RCBQFDQVSA-N 2 0 274.408 2.877 20 0 CFADRP CC[NH2+]CC1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000380861195 393557401 /nfs/dbraw/zinc/55/74/01/393557401.db2.gz FARLSHWQQOUEBB-QGZVFWFLSA-N 2 0 276.424 2.696 20 0 CFADRP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000684380753 542796623 /nfs/dbraw/zinc/79/66/23/542796623.db2.gz YZWMMCXXWOLNTR-HOTGVXAUSA-N 2 0 294.414 2.935 20 0 CFADRP CC(C)(C)CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000188114889 393561175 /nfs/dbraw/zinc/56/11/75/393561175.db2.gz ZFHVZLYFRXTDRK-HZPDHXFCSA-N 2 0 282.472 2.780 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000332342959 393561495 /nfs/dbraw/zinc/56/14/95/393561495.db2.gz XMIRRZKAVUUFFU-XJKCOSOUSA-N 2 0 260.381 2.629 20 0 CFADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189112883 393569956 /nfs/dbraw/zinc/56/99/56/393569956.db2.gz YZQHMAWXTVOBTG-KRWDZBQOSA-N 2 0 293.499 2.572 20 0 CFADRP Cc1scc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000401163070 393602937 /nfs/dbraw/zinc/60/29/37/393602937.db2.gz UEEKAGWNFGLBIX-VNHYZAJKSA-N 2 0 264.438 2.843 20 0 CFADRP CCC[C@@H](C[NH2+]C[C@H](C)C[NH+]1CCCCC1)OC ZINC000386428069 393586558 /nfs/dbraw/zinc/58/65/58/393586558.db2.gz LBVKFRLIYKUYIB-GJZGRUSLSA-N 2 0 256.434 2.513 20 0 CFADRP OC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411161207 393677766 /nfs/dbraw/zinc/67/77/66/393677766.db2.gz VNTWPKHRWWDZLX-UHFFFAOYSA-N 2 0 288.435 2.629 20 0 CFADRP COCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834290 393679594 /nfs/dbraw/zinc/67/95/94/393679594.db2.gz LSNSIBCGRKIYCR-INIZCTEOSA-N 2 0 268.445 2.611 20 0 CFADRP C[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)[C@H]1CC[NH3+] ZINC000404328018 393616934 /nfs/dbraw/zinc/61/69/34/393616934.db2.gz NUDLSIDRQRECHK-UPJWGTAASA-N 2 0 260.372 2.871 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2)[C@H](C)C1 ZINC000081096346 393731346 /nfs/dbraw/zinc/73/13/46/393731346.db2.gz SUHPKASJZMSLFC-WBVHZDCISA-N 2 0 276.424 2.728 20 0 CFADRP CC(C)OCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336703999 393746317 /nfs/dbraw/zinc/74/63/17/393746317.db2.gz HFIHUUPQIHLLKY-UHFFFAOYSA-N 2 0 256.434 2.606 20 0 CFADRP CC[C@H](CO)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411771343 393746981 /nfs/dbraw/zinc/74/69/81/393746981.db2.gz FYMSWNILVXFTST-GOSISDBHSA-N 2 0 290.451 2.875 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)CCSC(C)C)C[C@H]1C ZINC000336706057 393747905 /nfs/dbraw/zinc/74/79/05/393747905.db2.gz MWKORYGFXDCHRS-KGLIPLIRSA-N 2 0 258.475 2.933 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)C1(C)C ZINC000336817267 393750408 /nfs/dbraw/zinc/75/04/08/393750408.db2.gz PMWNQBVKWMHWKR-QLFBSQMISA-N 2 0 270.461 2.613 20 0 CFADRP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085128035 393751059 /nfs/dbraw/zinc/75/10/59/393751059.db2.gz VCHPPIVUBPTUJM-QWRGUYRKSA-N 2 0 252.324 2.649 20 0 CFADRP C[NH+](C)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000335978996 393712680 /nfs/dbraw/zinc/71/26/80/393712680.db2.gz FXAXMCSCXKZPCC-GFCCVEGCSA-N 2 0 260.372 2.838 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000411551788 393725650 /nfs/dbraw/zinc/72/56/50/393725650.db2.gz OCLRMMKVXXYJBW-JYJNAYRXSA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccc(F)c(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000219584059 393760898 /nfs/dbraw/zinc/76/08/98/393760898.db2.gz YBXMTNJUHQFNON-DOMZBBRYSA-N 2 0 250.361 2.836 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222933767 393763945 /nfs/dbraw/zinc/76/39/45/393763945.db2.gz DNDYDXNAPFTLTO-MGPQQGTHSA-N 2 0 262.397 2.924 20 0 CFADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000222933891 393764327 /nfs/dbraw/zinc/76/43/27/393764327.db2.gz DNDYDXNAPFTLTO-MCIONIFRSA-N 2 0 262.397 2.924 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337567890 393768654 /nfs/dbraw/zinc/76/86/54/393768654.db2.gz ZKPPRWSSNIZUTD-KBPBESRZSA-N 2 0 290.398 2.999 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2(CC)CC)[C@@H](C)C1 ZINC000090461459 393778096 /nfs/dbraw/zinc/77/80/96/393778096.db2.gz WNMJAKPSSADVFB-FZKCQIBNSA-N 2 0 282.472 2.900 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc3ccccc23)CC[N@@H+]1C ZINC000090720667 393780964 /nfs/dbraw/zinc/78/09/64/393780964.db2.gz GGXPJCAMFCUKKA-HIFRSBDPSA-N 2 0 269.392 2.807 20 0 CFADRP CCCC[C@H](COC)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000090707019 393781260 /nfs/dbraw/zinc/78/12/60/393781260.db2.gz FTGQLWLOALRJBI-UYSNPLJNSA-N 2 0 270.461 2.902 20 0 CFADRP CCC1(CC)[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[C@@H]1OC ZINC000414203651 393797409 /nfs/dbraw/zinc/79/74/09/393797409.db2.gz ZQAUKKPZGSQRDI-OAGGEKHMSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]1C[C@H](CN2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414682722 393802388 /nfs/dbraw/zinc/80/23/88/393802388.db2.gz RUGMHAVDZMYAPW-FUHWJXTLSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@H]1C[C@@H](C[N@@H+]2CCc3ccc(F)c(F)c3C2)CC[NH2+]1 ZINC000414755699 393804536 /nfs/dbraw/zinc/80/45/36/393804536.db2.gz PJLSIPWNXKXKDQ-RYUDHWBXSA-N 2 0 280.362 2.711 20 0 CFADRP CC[C@@H](C(=O)Nc1cc(C)cc(C[NH3+])c1)[NH+](CC)CC ZINC000424252754 393804846 /nfs/dbraw/zinc/80/48/46/393804846.db2.gz ZJUDMIFRHOLQQU-HNNXBMFYSA-N 2 0 277.412 2.513 20 0 CFADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000414826693 393805633 /nfs/dbraw/zinc/80/56/33/393805633.db2.gz GAVRLADYKJXTGG-JFIYKMOQSA-N 3 0 293.499 2.619 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1N(C)C ZINC000093944926 393806700 /nfs/dbraw/zinc/80/67/00/393806700.db2.gz KNKKDEFQJJMTJI-LSDHHAIUSA-N 2 0 275.440 2.745 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H](C)C[NH+]3CCCC3)C[C@H]2C1 ZINC000424265875 393807415 /nfs/dbraw/zinc/80/74/15/393807415.db2.gz KIWBHXUFEWXKJP-UUAJXVIYSA-N 2 0 280.456 2.512 20 0 CFADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[NH3+])CC3 ZINC000414912937 393807799 /nfs/dbraw/zinc/80/77/99/393807799.db2.gz VJADYWVFMKEQMA-CYBMUJFWSA-N 2 0 271.408 2.662 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414944002 393807910 /nfs/dbraw/zinc/80/79/10/393807910.db2.gz GCMFEWMSDMRXBN-AHCXZYCDSA-N 2 0 293.499 2.760 20 0 CFADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3F)CC[NH2+]1 ZINC000415113077 393812136 /nfs/dbraw/zinc/81/21/36/393812136.db2.gz SJCOQNDVTYSURS-HSMVNMDESA-N 2 0 262.372 2.791 20 0 CFADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)cc1F ZINC000415095049 393812562 /nfs/dbraw/zinc/81/25/62/393812562.db2.gz YRYDXUWKYYSLTJ-WQVCFCJDSA-N 2 0 296.361 2.527 20 0 CFADRP CN1CC[C@H]([NH2+]CCCC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000340210946 393838760 /nfs/dbraw/zinc/83/87/60/393838760.db2.gz YKXHEWTWSUIBRQ-ZWKOTPCHSA-N 2 0 289.467 2.753 20 0 CFADRP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339437210 393824974 /nfs/dbraw/zinc/82/49/74/393824974.db2.gz FWNLMOBGXVCKBV-QZTJIDSGSA-N 2 0 288.435 2.792 20 0 CFADRP CSc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424330871 393831360 /nfs/dbraw/zinc/83/13/60/393831360.db2.gz IRWQOLYBXPCYEJ-HUUCEWRRSA-N 2 0 280.437 2.647 20 0 CFADRP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246374173 393863678 /nfs/dbraw/zinc/86/36/78/393863678.db2.gz JPPGDAPXEAGVDD-RTWAVKEYSA-N 2 0 279.428 2.713 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000471772878 393914453 /nfs/dbraw/zinc/91/44/53/393914453.db2.gz QDZPFHJWQQHURL-TZMCWYRMSA-N 2 0 298.377 2.760 20 0 CFADRP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000247106957 393893316 /nfs/dbraw/zinc/89/33/16/393893316.db2.gz OWXZKFIAJXUJRT-SOUVJXGZSA-N 2 0 256.434 2.510 20 0 CFADRP CCOC1(C)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000428759198 393913294 /nfs/dbraw/zinc/91/32/94/393913294.db2.gz OHWCNHWNQFKKQZ-UHFFFAOYSA-N 2 0 268.445 2.753 20 0 CFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424369114 393840218 /nfs/dbraw/zinc/84/02/18/393840218.db2.gz QRLWSEKWDFSWMX-BZZMCLGOSA-N 2 0 287.451 2.681 20 0 CFADRP CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424378558 393841941 /nfs/dbraw/zinc/84/19/41/393841941.db2.gz TWEZCTVATYNVHS-APIJFGDWSA-N 2 0 268.445 2.686 20 0 CFADRP Brc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000245993484 393842767 /nfs/dbraw/zinc/84/27/67/393842767.db2.gz MOOKEVQSKMCKBD-MNOVXSKESA-N 2 0 299.212 2.759 20 0 CFADRP CO[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000248405236 393908309 /nfs/dbraw/zinc/90/83/09/393908309.db2.gz ANPRVWPASMCIPU-XHSDSOJGSA-N 2 0 268.445 2.608 20 0 CFADRP CCOc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246359417 393863286 /nfs/dbraw/zinc/86/32/86/393863286.db2.gz IJUKMYJBHMOMSO-IIDMSEBBSA-N 2 0 290.451 2.946 20 0 CFADRP C[C@H]1c2ccsc2CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251198186 393931148 /nfs/dbraw/zinc/93/11/48/393931148.db2.gz FRZHOPVXLOAEHU-RYUDHWBXSA-N 2 0 250.411 2.667 20 0 CFADRP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251559786 393932451 /nfs/dbraw/zinc/93/24/51/393932451.db2.gz SAMSLYXRBIQXTA-YNEHKIRRSA-N 2 0 250.361 2.946 20 0 CFADRP CC(C)[NH+]1CCN(CCC[NH+](C2CCC2)C2CCC2)CC1 ZINC000429154496 393943152 /nfs/dbraw/zinc/94/31/52/393943152.db2.gz KYXSDSNEBBBGPE-UHFFFAOYSA-N 2 0 293.499 2.810 20 0 CFADRP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(SC)CC2)C1 ZINC000347865539 393945539 /nfs/dbraw/zinc/94/55/39/393945539.db2.gz ZQEUVTMJJKVYPR-CYBMUJFWSA-N 2 0 256.459 2.546 20 0 CFADRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121061015 393947089 /nfs/dbraw/zinc/94/70/89/393947089.db2.gz KTCWCLNUWYGWMM-IRXDYDNUSA-N 2 0 289.467 2.529 20 0 CFADRP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000126098151 394020298 /nfs/dbraw/zinc/02/02/98/394020298.db2.gz SIPWVUQLHQDJQZ-WNRNVDISSA-N 3 0 295.515 2.959 20 0 CFADRP CCS[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000348472398 393954107 /nfs/dbraw/zinc/95/41/07/393954107.db2.gz XMHJLXPFBNXLDR-MGPQQGTHSA-N 2 0 256.459 2.735 20 0 CFADRP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430150823 393962698 /nfs/dbraw/zinc/96/26/98/393962698.db2.gz STLWMWNJWUESNT-GOSISDBHSA-N 2 0 288.435 2.785 20 0 CFADRP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H]1CCSC1 ZINC000486943733 393973190 /nfs/dbraw/zinc/97/31/90/393973190.db2.gz OKIARRHODJMRFP-XGUBFFRZSA-N 2 0 270.486 2.696 20 0 CFADRP CCn1cncc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417700493 393994580 /nfs/dbraw/zinc/99/45/80/393994580.db2.gz LKZQNYZWAAICRO-QGZVFWFLSA-N 2 0 298.434 2.609 20 0 CFADRP Cc1ccc(C)c(OCC[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430573501 393994800 /nfs/dbraw/zinc/99/48/00/393994800.db2.gz QXTNEERPCWDGHV-MRXNPFEDSA-N 2 0 264.413 2.645 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000124622267 393997607 /nfs/dbraw/zinc/99/76/07/393997607.db2.gz VOZGEBSURPOBHJ-DZGCQCFKSA-N 2 0 262.397 2.785 20 0 CFADRP [NH3+]C[C@@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430623906 393999594 /nfs/dbraw/zinc/99/95/94/393999594.db2.gz NZAXWPUTCSXPEH-ZDUSSCGKSA-N 2 0 282.815 2.780 20 0 CFADRP CCc1ccc(CC[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000430613933 393999644 /nfs/dbraw/zinc/99/96/44/393999644.db2.gz XTGUYCPWCYTMLZ-QGZVFWFLSA-N 2 0 260.425 2.723 20 0 CFADRP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CN(C)C2CC2)s1 ZINC000351516549 394004679 /nfs/dbraw/zinc/00/46/79/394004679.db2.gz GHVFWZKJTMHLQW-GJZGRUSLSA-N 2 0 294.464 2.649 20 0 CFADRP CC1CC[NH+](CCCC[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000417881481 394006312 /nfs/dbraw/zinc/00/63/12/394006312.db2.gz UWWHYCUBIUIYES-OAHLLOKOSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCC[C@H](C[NH+]2CCC3(CC[NH2+]C3)CC2)C1 ZINC000430968629 394007367 /nfs/dbraw/zinc/00/73/67/394007367.db2.gz XIVBDXPLWYOSAG-CABCVRRESA-N 2 0 250.430 2.888 20 0 CFADRP CSC1(C[NH2+][C@@H](C)[C@H]2CC2(C)C)CC[NH+](C)CC1 ZINC000353222825 394026544 /nfs/dbraw/zinc/02/65/44/394026544.db2.gz QZDKPTVWGGCKDD-QWHCGFSZSA-N 2 0 270.486 2.838 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417962515 394009501 /nfs/dbraw/zinc/00/95/01/394009501.db2.gz ZSHFEPWVPRRGJI-GJZGRUSLSA-N 2 0 268.445 2.512 20 0 CFADRP CN(CC[N@H+](C)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000126437259 394027757 /nfs/dbraw/zinc/02/77/57/394027757.db2.gz IWZGEPAUBPMTAK-UHFFFAOYSA-N 2 0 281.488 2.525 20 0 CFADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1F ZINC000487550217 394011010 /nfs/dbraw/zinc/01/10/10/394011010.db2.gz KLEDFEMPWRSTRJ-ZDUSSCGKSA-N 2 0 282.428 2.730 20 0 CFADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000353927674 394038664 /nfs/dbraw/zinc/03/86/64/394038664.db2.gz BDLJYQUWKGEOGS-SJORKVTESA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000353915727 394038748 /nfs/dbraw/zinc/03/87/48/394038748.db2.gz NYYQNPZNZKEBIP-ZDUSSCGKSA-N 2 0 258.475 2.838 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCSCC1 ZINC000353927407 394038810 /nfs/dbraw/zinc/03/88/10/394038810.db2.gz IPCLHAVKOUHJSB-CFVMTHIKSA-N 2 0 268.470 2.735 20 0 CFADRP [NH3+]CCCCNc1ccnc2ccc(Br)cc21 ZINC000420232406 394101294 /nfs/dbraw/zinc/10/12/94/394101294.db2.gz LTBUWVIOZUBUMX-UHFFFAOYSA-N 2 0 294.196 2.570 20 0 CFADRP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000127901182 394058267 /nfs/dbraw/zinc/05/82/67/394058267.db2.gz KHVOYJIHXLTWRQ-KBPBESRZSA-N 2 0 264.388 2.861 20 0 CFADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC[C@H]2CCOC2)C1 ZINC000437590612 394062631 /nfs/dbraw/zinc/06/26/31/394062631.db2.gz NVPIUWVVGDCSND-YVSFHVDLSA-N 2 0 280.456 2.750 20 0 CFADRP CCC1(CC)[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[C@@H]1OC ZINC000356792603 394080242 /nfs/dbraw/zinc/08/02/42/394080242.db2.gz UROGVWAQRCDLEB-GJZGRUSLSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356888892 394081081 /nfs/dbraw/zinc/08/10/81/394081081.db2.gz ZLAOFILHZPIZRH-DLBZAZTESA-N 2 0 294.483 2.780 20 0 CFADRP CN(c1ccccc1)c1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ncn1 ZINC000420244147 394104225 /nfs/dbraw/zinc/10/42/25/394104225.db2.gz XYIXDJZJTMECIR-KGLIPLIRSA-N 2 0 297.406 2.926 20 0 CFADRP C[NH2+][C@@H]1CCCN(c2cc[nH+]c3cc(F)c(OC)cc32)C1 ZINC000420157517 394085890 /nfs/dbraw/zinc/08/58/90/394085890.db2.gz OTNVCHJDQVVCKZ-LLVKDONJSA-N 2 0 289.354 2.571 20 0 CFADRP C[N@H+](CCCC(=O)OC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC000130034133 394099637 /nfs/dbraw/zinc/09/96/37/394099637.db2.gz NOMDCDUAQQCGAR-HNNXBMFYSA-N 2 0 298.471 2.915 20 0 CFADRP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000358721585 394111878 /nfs/dbraw/zinc/11/18/78/394111878.db2.gz XHZLVURYUUWRPF-BBRMVZONSA-N 2 0 270.461 2.636 20 0 CFADRP CC(C)COCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420319695 394116649 /nfs/dbraw/zinc/11/66/49/394116649.db2.gz RXTAGESOOBSUBJ-UHFFFAOYSA-N 2 0 256.434 2.500 20 0 CFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)O)CC1 ZINC000285497955 394143440 /nfs/dbraw/zinc/14/34/40/394143440.db2.gz ACELLXZKIWGHAH-UHFFFAOYSA-N 2 0 290.451 2.790 20 0 CFADRP CCOC(=O)CC(C)(C)[N@H+](C)CCC[NH+]1CCCCC1 ZINC000444611430 394145639 /nfs/dbraw/zinc/14/56/39/394145639.db2.gz QFGBHPLXPHCYGX-UHFFFAOYSA-N 2 0 284.444 2.526 20 0 CFADRP C[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000447321150 394151261 /nfs/dbraw/zinc/15/12/61/394151261.db2.gz LHXOLRIIYTYGPD-OEXSFMSHSA-N 2 0 282.472 2.588 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)C2CC2)[C@H](C)C1 ZINC000361499023 394173845 /nfs/dbraw/zinc/17/38/45/394173845.db2.gz XDCWBUPCNVHPIF-PVAVHDDUSA-N 2 0 282.472 2.902 20 0 CFADRP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000449218543 394256013 /nfs/dbraw/zinc/25/60/13/394256013.db2.gz JKVIKJOVKJTMFG-MSOLQXFVSA-N 2 0 295.515 2.818 20 0 CFADRP C(C[NH+]1CCCCC1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364149545 394203853 /nfs/dbraw/zinc/20/38/53/394203853.db2.gz ZWHIFMNFBRUSGJ-SFHVURJKSA-N 2 0 293.499 2.813 20 0 CFADRP COc1cccc(F)c1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000135147037 394212159 /nfs/dbraw/zinc/21/21/59/394212159.db2.gz ZKSLFSQRXJFZNX-AVGNSLFASA-N 2 0 280.387 2.968 20 0 CFADRP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CCCCCC3)C2)CC[N@@H+]1C ZINC000364458588 394215964 /nfs/dbraw/zinc/21/59/64/394215964.db2.gz NPTIFKUSUDVRHQ-IXDOHACOSA-N 2 0 293.499 2.856 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150962413 394257045 /nfs/dbraw/zinc/25/70/45/394257045.db2.gz OPJLTSSTMLQZLN-MRXNPFEDSA-N 2 0 281.488 2.737 20 0 CFADRP C[C@H]1C[NH+](CC2CC[NH+](C/C=C/Cl)CC2)C[C@H](C)O1 ZINC000364491513 394219777 /nfs/dbraw/zinc/21/97/77/394219777.db2.gz KHFZQCWAZNKQBR-PXHZSSHCSA-N 2 0 286.847 2.560 20 0 CFADRP C[C@@H]1C[NH+](CC2CC[NH+](C/C=C/Cl)CC2)C[C@@H](C)O1 ZINC000364491512 394220290 /nfs/dbraw/zinc/22/02/90/394220290.db2.gz KHFZQCWAZNKQBR-HNCOSLNKSA-N 2 0 286.847 2.560 20 0 CFADRP CC(C)[NH+]1CCC([NH2+][C@H]2COc3ccc(F)cc3C2)CC1 ZINC000289855614 394223172 /nfs/dbraw/zinc/22/31/72/394223172.db2.gz BMHOVDIGXQEGMW-MRXNPFEDSA-N 2 0 292.398 2.592 20 0 CFADRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000449131331 394223564 /nfs/dbraw/zinc/22/35/64/394223564.db2.gz LWVXBFXEXUWSHS-AEFFLSMTSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CSC[C@@H]1[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000449142916 394228053 /nfs/dbraw/zinc/22/80/53/394228053.db2.gz PAMZGDSIVHCEEK-FRRDWIJNSA-N 2 0 258.475 2.694 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000449146423 394229046 /nfs/dbraw/zinc/22/90/46/394229046.db2.gz CFQYTAHRRWLHDW-YYIAUSFCSA-N 2 0 282.472 2.638 20 0 CFADRP Cc1ccsc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000290602940 394231865 /nfs/dbraw/zinc/23/18/65/394231865.db2.gz VZRCMYJWUMDTMW-KBPBESRZSA-N 2 0 264.438 2.973 20 0 CFADRP Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000449176149 394241413 /nfs/dbraw/zinc/24/14/13/394241413.db2.gz SFJULLCJHUCZEA-IAGOWNOFSA-N 2 0 260.425 3.000 20 0 CFADRP C[C@@H](Cn1cccn1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000138094415 394241653 /nfs/dbraw/zinc/24/16/53/394241653.db2.gz DIMAFSIKKOERAP-BBWFWOEESA-N 2 0 292.471 2.619 20 0 CFADRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367631782 394258780 /nfs/dbraw/zinc/25/87/80/394258780.db2.gz FIKKUUPBFFRQRP-HOCLYGCPSA-N 2 0 290.455 2.889 20 0 CFADRP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000422913691 394258865 /nfs/dbraw/zinc/25/88/65/394258865.db2.gz ZDZJWZNTZMIRLP-HJOIGYKYSA-N 2 0 289.467 2.614 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421867791 394247671 /nfs/dbraw/zinc/24/76/71/394247671.db2.gz CJDAJGAKPQEZPO-APIJFGDWSA-N 2 0 282.497 2.838 20 0 CFADRP C[C@H](F)CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367132557 394251146 /nfs/dbraw/zinc/25/11/46/394251146.db2.gz CWUKNBYEHBLKTI-KBPBESRZSA-N 2 0 268.420 2.931 20 0 CFADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422982809 394259784 /nfs/dbraw/zinc/25/97/84/394259784.db2.gz RLOKDTVNSWLHCW-XHDPSFHLSA-N 2 0 266.816 2.859 20 0 CFADRP C[C@H]1CCC[C@](C[NH2+]C2CCC(C[NH3+])CC2)(N(C)C)C1 ZINC000422729662 394253845 /nfs/dbraw/zinc/25/38/45/394253845.db2.gz CFLXHUZQNNUDRH-OTBWCIGPSA-N 2 0 281.488 2.604 20 0 CFADRP CC(C)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732558 394254422 /nfs/dbraw/zinc/25/44/22/394254422.db2.gz PBLLDUDZWJYFPX-RDJZCZTQSA-N 2 0 274.408 2.878 20 0 CFADRP CN(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000422717563 394254481 /nfs/dbraw/zinc/25/44/81/394254481.db2.gz WDKFGPAUDLDPOF-HYVNUMGLSA-N 2 0 293.430 2.536 20 0 CFADRP COCC[C@H](C)[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000134113395 394188585 /nfs/dbraw/zinc/18/85/85/394188585.db2.gz LGASQHSJAKLYMV-ZNMIVQPWSA-N 2 0 270.461 2.758 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000134163542 394189522 /nfs/dbraw/zinc/18/95/22/394189522.db2.gz AEUFRKAHQJLNMX-UHFFFAOYSA-N 2 0 294.439 2.716 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422981216 394260199 /nfs/dbraw/zinc/26/01/99/394260199.db2.gz SGRRJJDTPIJMMJ-IKGGRYGDSA-N 2 0 276.424 2.750 20 0 CFADRP CSCc1cccc(C[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000423057064 394262335 /nfs/dbraw/zinc/26/23/35/394262335.db2.gz GSCFGHCYHJZAOX-LBPRGKRZSA-N 2 0 252.427 2.767 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423075581 394264294 /nfs/dbraw/zinc/26/42/94/394264294.db2.gz OVRAIONPHLWWKD-DCAQKATOSA-N 2 0 252.324 2.838 20 0 CFADRP CC1(C)CCC[N@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423076346 394265624 /nfs/dbraw/zinc/26/56/24/394265624.db2.gz RBPPYIHAZOAKTL-ZACQAIPSSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000423082377 394266172 /nfs/dbraw/zinc/26/61/72/394266172.db2.gz FAFVPGJWYQOQPM-YUMQZZPRSA-N 2 0 281.347 2.940 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423083213 394266590 /nfs/dbraw/zinc/26/65/90/394266590.db2.gz FPLYZXUCFASGMI-BFYDXBDKSA-N 2 0 278.440 2.740 20 0 CFADRP COC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000423085943 394267381 /nfs/dbraw/zinc/26/73/81/394267381.db2.gz KXGXTVISUJISRC-SMDDNHRTSA-N 2 0 270.804 2.745 20 0 CFADRP CC[C@](C)(O)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000152026439 394268236 /nfs/dbraw/zinc/26/82/36/394268236.db2.gz CVJZKIHAZQAWRK-UAGQMJEPSA-N 2 0 276.424 2.573 20 0 CFADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000423089188 394268400 /nfs/dbraw/zinc/26/84/00/394268400.db2.gz UOKFEEMKANIPBP-ZHGALXRWSA-N 2 0 268.445 2.545 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(Br)cn1 ZINC000423092683 394269453 /nfs/dbraw/zinc/26/94/53/394269453.db2.gz DAGHPPKBOYHTNA-VHSXEESVSA-N 2 0 286.217 2.622 20 0 CFADRP COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423090049 394269836 /nfs/dbraw/zinc/26/98/36/394269836.db2.gz WPSBGDKDFJHBCP-JQHSSLGASA-N 2 0 290.451 2.754 20 0 CFADRP COC[C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c1cccc(Cl)c1 ZINC000423121366 394270556 /nfs/dbraw/zinc/27/05/56/394270556.db2.gz IMZUVCNTLCUMQL-SUNKGSAMSA-N 2 0 270.804 2.743 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000423118950 394270723 /nfs/dbraw/zinc/27/07/23/394270723.db2.gz ASLSTOGEMMPESK-LESCRADOSA-N 2 0 296.414 2.711 20 0 CFADRP CC[C@H]([NH2+]C1CC(C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423134134 394271310 /nfs/dbraw/zinc/27/13/10/394271310.db2.gz WRWLNLLLKJCIIS-MMVSWEMESA-N 2 0 264.335 2.838 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000423123443 394271467 /nfs/dbraw/zinc/27/14/67/394271467.db2.gz DQVWNXFQNIMZEK-NVXWUHKLSA-N 2 0 276.424 2.716 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000423167008 394271961 /nfs/dbraw/zinc/27/19/61/394271961.db2.gz RSSVVIHSYCXHEK-AJNGGQMLSA-N 2 0 256.434 2.545 20 0 CFADRP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423167353 394272236 /nfs/dbraw/zinc/27/22/36/394272236.db2.gz SHXIKFUHDSLBKC-LVQVYYBASA-N 2 0 260.381 2.678 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000423179227 394272657 /nfs/dbraw/zinc/27/26/57/394272657.db2.gz JHPNKFFALLPLBO-KBPBESRZSA-N 2 0 280.362 2.856 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000423222251 394273897 /nfs/dbraw/zinc/27/38/97/394273897.db2.gz AJDCGZCWWFOYSN-RIIWJZGXSA-N 2 0 250.430 2.918 20 0 CFADRP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423245758 394274224 /nfs/dbraw/zinc/27/42/24/394274224.db2.gz JIQXBKZPPHPOJA-NVXWUHKLSA-N 2 0 278.415 2.982 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCC2 ZINC000423253530 394274926 /nfs/dbraw/zinc/27/49/26/394274926.db2.gz WASMPDMBQXHZBN-PBHICJAKSA-N 2 0 258.409 2.962 20 0 CFADRP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449390444 394275001 /nfs/dbraw/zinc/27/50/01/394275001.db2.gz WBUIEZWDJQMAPC-ZUTYSQTGSA-N 2 0 288.435 2.526 20 0 CFADRP COc1ccc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152376480 394276880 /nfs/dbraw/zinc/27/68/80/394276880.db2.gz OLGFKMLCCLJKBP-MRXNPFEDSA-N 2 0 276.424 2.511 20 0 CFADRP Fc1ccc([C@H]([NH2+]CC2C[NH2+]C2)C2CCCC2)cc1 ZINC000423302878 394277021 /nfs/dbraw/zinc/27/70/21/394277021.db2.gz KURUIXKCQCDUQP-MRXNPFEDSA-N 2 0 262.372 2.866 20 0 CFADRP Cc1cccc2c1CC[C@H]2[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423345811 394277652 /nfs/dbraw/zinc/27/76/52/394277652.db2.gz ZDNDTFDBTOMRPN-IAGOWNOFSA-N 2 0 258.409 2.962 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423329916 394277939 /nfs/dbraw/zinc/27/79/39/394277939.db2.gz OWZJCPWORYADEU-GFCCVEGCSA-N 2 0 287.329 2.806 20 0 CFADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000423399795 394279638 /nfs/dbraw/zinc/27/96/38/394279638.db2.gz VCKNTLOGBMPELK-DRZSPHRISA-N 2 0 297.468 2.561 20 0 CFADRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423399792 394279924 /nfs/dbraw/zinc/27/99/24/394279924.db2.gz VCBOGSKWCROFQO-IMJJTQAJSA-N 2 0 292.423 2.632 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000423387455 394280030 /nfs/dbraw/zinc/28/00/30/394280030.db2.gz MVVZPOBQTRBROH-QJPTWQEYSA-N 2 0 266.360 2.755 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cnn1C(C)C ZINC000423405571 394280900 /nfs/dbraw/zinc/28/09/00/394280900.db2.gz YCLXURKFZFEIMG-YUTCNCBUSA-N 2 0 264.417 2.693 20 0 CFADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000423506789 394285243 /nfs/dbraw/zinc/28/52/43/394285243.db2.gz MICAOOAVZGZSPT-VGWMRTNUSA-N 2 0 296.455 2.606 20 0 CFADRP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCCC1 ZINC000423518296 394288357 /nfs/dbraw/zinc/28/83/57/394288357.db2.gz ZLUZXRHAGKRJCO-ABHNRTSZSA-N 2 0 293.499 2.761 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(C)c1OC ZINC000423520489 394288859 /nfs/dbraw/zinc/28/88/59/394288859.db2.gz WHJNGHOHFMUWNR-IHRRRGAJSA-N 2 0 292.423 2.790 20 0 CFADRP CCC1CC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000423520129 394289230 /nfs/dbraw/zinc/28/92/30/394289230.db2.gz DSRZPNRQGSBDJJ-UHFFFAOYSA-N 2 0 262.441 2.918 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc2c(c1)OCCCO2 ZINC000423519636 394289302 /nfs/dbraw/zinc/28/93/02/394289302.db2.gz DHTSVPKULDDNER-CYBMUJFWSA-N 2 0 290.407 2.641 20 0 CFADRP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423524563 394290510 /nfs/dbraw/zinc/29/05/10/394290510.db2.gz ZOHNDTGECHCDDK-ZACQAIPSSA-N 2 0 260.425 2.971 20 0 CFADRP c1ccc2c(c1)SCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423526314 394290532 /nfs/dbraw/zinc/29/05/32/394290532.db2.gz LEIAKRMQOKYPHV-CQSZACIVSA-N 2 0 262.422 2.955 20 0 CFADRP CN(c1ccccc1C[NH2+][C@@H]1CC12CC2)C1CC[NH+](C)CC1 ZINC000424184526 394333160 /nfs/dbraw/zinc/33/31/60/394333160.db2.gz MPFDQQZJUANZKI-GOSISDBHSA-N 2 0 299.462 2.859 20 0 CFADRP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534904 394293373 /nfs/dbraw/zinc/29/33/73/394293373.db2.gz BMXINRGLXXWWSF-INIZCTEOSA-N 2 0 272.392 2.669 20 0 CFADRP CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccn1 ZINC000423540618 394293970 /nfs/dbraw/zinc/29/39/70/394293970.db2.gz KBQBGQYBHPPKBM-DLTWYDFYSA-N 2 0 273.424 2.901 20 0 CFADRP CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423537708 394294268 /nfs/dbraw/zinc/29/42/68/394294268.db2.gz KROJWMJGYJPPNQ-CQSZACIVSA-N 2 0 263.360 2.571 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000423541428 394294611 /nfs/dbraw/zinc/29/46/11/394294611.db2.gz LADAVWDYDCCADE-SHFYGJNESA-N 2 0 291.414 2.896 20 0 CFADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)COC2 ZINC000423541371 394294954 /nfs/dbraw/zinc/29/49/54/394294954.db2.gz KRHKHQGDVXOUOL-WIRVQXDCSA-N 2 0 286.419 2.756 20 0 CFADRP COC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423543660 394294965 /nfs/dbraw/zinc/29/49/65/394294965.db2.gz VDPPWOOHILVIJR-INIZCTEOSA-N 2 0 294.826 2.927 20 0 CFADRP FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423544788 394295813 /nfs/dbraw/zinc/29/58/13/394295813.db2.gz IYBIZANAQGKCMI-GCSSGZNBSA-N 2 0 268.420 2.883 20 0 CFADRP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(F)cc(F)c1 ZINC000423554186 394296374 /nfs/dbraw/zinc/29/63/74/394296374.db2.gz LJPCUJAFXXZFLJ-LLVKDONJSA-N 2 0 266.335 2.925 20 0 CFADRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423549746 394296611 /nfs/dbraw/zinc/29/66/11/394296611.db2.gz IEELVYMHCGYRLX-COXVUDFISA-N 2 0 258.409 2.910 20 0 CFADRP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000423554877 394297116 /nfs/dbraw/zinc/29/71/16/394297116.db2.gz XFWBBZXUPSFQNP-DZUCGIPZSA-N 2 0 273.424 2.756 20 0 CFADRP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)oc1C ZINC000423554589 394297206 /nfs/dbraw/zinc/29/72/06/394297206.db2.gz WXHCNEGKDDAQET-PMOUVXMZSA-N 2 0 262.397 2.935 20 0 CFADRP COc1ccc(CC[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423565692 394298213 /nfs/dbraw/zinc/29/82/13/394298213.db2.gz SWBFSCSQKBVYRL-HNNXBMFYSA-N 2 0 288.435 2.916 20 0 CFADRP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000297348718 394314595 /nfs/dbraw/zinc/31/45/95/394314595.db2.gz JYKVBBBNPZNIFI-JKSUJKDBSA-N 2 0 294.826 2.759 20 0 CFADRP C[C@H]1C[N@H+](C)C[C@@H]1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453361612 394390549 /nfs/dbraw/zinc/39/05/49/394390549.db2.gz KSCFVHXSJMSLNF-HOTGVXAUSA-N 2 0 295.515 2.769 20 0 CFADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H](C)O ZINC000450761269 394336632 /nfs/dbraw/zinc/33/66/32/394336632.db2.gz QZIWEMDAGFOQIG-HRCADAONSA-N 2 0 270.461 2.638 20 0 CFADRP COCC(C)(C)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000494199246 394344169 /nfs/dbraw/zinc/34/41/69/394344169.db2.gz UHSFHWZOWMMIGY-UHFFFAOYSA-N 2 0 291.439 2.560 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1N(C)C ZINC000158223125 394356114 /nfs/dbraw/zinc/35/61/14/394356114.db2.gz HQFYPOBSXGTKHX-ZIAGYGMSSA-N 2 0 293.430 2.884 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453375227 394392197 /nfs/dbraw/zinc/39/21/97/394392197.db2.gz IAAUHMBPFDYSMX-RBSFLKMASA-N 2 0 282.472 2.636 20 0 CFADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)Oc1ccccc1 ZINC000494636805 394361256 /nfs/dbraw/zinc/36/12/56/394361256.db2.gz YPJNWTAHOGLDHE-RHSMWYFYSA-N 2 0 288.435 2.916 20 0 CFADRP F[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](F)C2)C1 ZINC000451202353 394368505 /nfs/dbraw/zinc/36/85/05/394368505.db2.gz XEASLOPYZAMNAN-IYBDPMFKSA-N 2 0 280.362 2.774 20 0 CFADRP C[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000163427000 394368761 /nfs/dbraw/zinc/36/87/61/394368761.db2.gz AWMBXMMZRCWZKS-JSGCOSHPSA-N 2 0 258.365 2.850 20 0 CFADRP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1cccnc1 ZINC000164154413 394369322 /nfs/dbraw/zinc/36/93/22/394369322.db2.gz IPYNXXDUIZQWRS-OIISXLGYSA-N 2 0 275.440 2.751 20 0 CFADRP c1[nH+]cn2cc(C[NH2+]CC3Cc4ccccc4C3)ccc12 ZINC000518715040 394371164 /nfs/dbraw/zinc/37/11/64/394371164.db2.gz LBZQJCIYOVMJBT-UHFFFAOYSA-N 2 0 277.371 2.839 20 0 CFADRP CO[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1(C)C ZINC000451553768 394376869 /nfs/dbraw/zinc/37/68/69/394376869.db2.gz OQZBFBGNOVNKRC-CABCVRRESA-N 2 0 268.445 2.608 20 0 CFADRP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c2nccn21 ZINC000453070039 394381475 /nfs/dbraw/zinc/38/14/75/394381475.db2.gz ZTLSBQZFCYTJGW-OWCLPIDISA-N 2 0 290.455 2.991 20 0 CFADRP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccncc1 ZINC000453198605 394382171 /nfs/dbraw/zinc/38/21/71/394382171.db2.gz PXDGABVTYYDGSH-OAHLLOKOSA-N 2 0 261.413 2.854 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1nccn1CC ZINC000453245942 394382611 /nfs/dbraw/zinc/38/26/11/394382611.db2.gz GFSMINUSQNTEPG-ZIAGYGMSSA-N 2 0 266.433 2.674 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000527535972 394388700 /nfs/dbraw/zinc/38/87/00/394388700.db2.gz YVQVBFRLXWCMLW-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CCOC[C@H]1CCC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453393846 394395589 /nfs/dbraw/zinc/39/55/89/394395589.db2.gz GNNLKTRMQAAAAS-GDBMZVCRSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527663413 394396798 /nfs/dbraw/zinc/39/67/98/394396798.db2.gz ZPPDHXUIKVCAPI-USJZOSNVSA-N 2 0 292.467 2.512 20 0 CFADRP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)O1 ZINC000453407696 394398731 /nfs/dbraw/zinc/39/87/31/394398731.db2.gz MJKUPHNZIOSNDQ-YOEHRIQHSA-N 2 0 280.456 2.941 20 0 CFADRP C[N@H+](CCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C1CC1 ZINC000453411653 394399700 /nfs/dbraw/zinc/39/97/00/394399700.db2.gz VVCDWMYQEVXIHS-XHSDSOJGSA-N 2 0 280.456 2.654 20 0 CFADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc4[nH]cnc4c3)C2)CC1 ZINC000685463151 542919960 /nfs/dbraw/zinc/91/99/60/542919960.db2.gz SRDWGPAIBNUDIL-INIZCTEOSA-N 2 0 298.434 2.727 20 0 CFADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000528004592 394438117 /nfs/dbraw/zinc/43/81/17/394438117.db2.gz QZMLHUHOAJLLIO-XPCVCDNBSA-N 2 0 268.445 2.651 20 0 CFADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CC12CC2 ZINC000527851043 394417080 /nfs/dbraw/zinc/41/70/80/394417080.db2.gz OFLUGVKRFBOLCQ-WMLDXEAASA-N 2 0 288.435 2.905 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527868203 394419103 /nfs/dbraw/zinc/41/91/03/394419103.db2.gz OMEKGNUXNRKUCC-ZFWWWQNUSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527868191 394419122 /nfs/dbraw/zinc/41/91/22/394419122.db2.gz OMEKGNUXNRKUCC-DZGCQCFKSA-N 2 0 250.430 2.887 20 0 CFADRP CC[NH+]1CCC(CC[NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527868195 394419198 /nfs/dbraw/zinc/41/91/98/394419198.db2.gz OMEKGNUXNRKUCC-HIFRSBDPSA-N 2 0 250.430 2.887 20 0 CFADRP CC(C)(C)[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528009194 394438723 /nfs/dbraw/zinc/43/87/23/394438723.db2.gz HGDNFWORUVHFOP-KRWDZBQOSA-N 2 0 293.499 2.856 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H]2CCC[C@H]21 ZINC000527921686 394425790 /nfs/dbraw/zinc/42/57/90/394425790.db2.gz PHPJTAPGCHQCJD-RGGMIXCSSA-N 2 0 262.441 2.885 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)OCC ZINC000527926665 394427228 /nfs/dbraw/zinc/42/72/28/394427228.db2.gz BJNVULPICWQCOL-KLHDSHLOSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OCC ZINC000527932467 394427752 /nfs/dbraw/zinc/42/77/52/394427752.db2.gz MTMLKSVQIOJSJZ-HNNXBMFYSA-N 2 0 256.434 2.654 20 0 CFADRP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)OCC ZINC000527931824 394427835 /nfs/dbraw/zinc/42/78/35/394427835.db2.gz NNDHOGAGQWOWLA-LXTVHRRPSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527946690 394430052 /nfs/dbraw/zinc/43/00/52/394430052.db2.gz IKSTXMJTJRGHSY-AHCXZYCDSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527946694 394430103 /nfs/dbraw/zinc/43/01/03/394430103.db2.gz IKSTXMJTJRGHSY-LMSBXDPUSA-N 2 0 293.499 2.712 20 0 CFADRP c1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530176615 394471541 /nfs/dbraw/zinc/47/15/41/394471541.db2.gz CXSRNURZVBEFAJ-SFHVURJKSA-N 2 0 299.462 2.525 20 0 CFADRP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179082 394473250 /nfs/dbraw/zinc/47/32/50/394473250.db2.gz PDOKOMOSSPZSQM-VHSXEESVSA-N 2 0 250.308 2.592 20 0 CFADRP C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000530207986 394481028 /nfs/dbraw/zinc/48/10/28/394481028.db2.gz FOKZATOCQMTWFO-MWDXBVQZSA-N 2 0 280.456 2.704 20 0 CFADRP Cc1ncccc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000530223295 394488528 /nfs/dbraw/zinc/48/85/28/394488528.db2.gz SYLAIIRPVPEOKS-CJNGLKHVSA-N 2 0 261.413 2.790 20 0 CFADRP Clc1cccnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000530223102 394488652 /nfs/dbraw/zinc/48/86/52/394488652.db2.gz MVYFKQKAPYCYIJ-AWEZNQCLSA-N 2 0 293.842 2.947 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccc(F)cc1 ZINC000530224108 394489436 /nfs/dbraw/zinc/48/94/36/394489436.db2.gz KXYZRIRPSJGHFG-LNCBFAARSA-N 2 0 294.414 2.818 20 0 CFADRP Cc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530237875 394494165 /nfs/dbraw/zinc/49/41/65/394494165.db2.gz GDRHPOHCZPBOND-SFHVURJKSA-N 2 0 288.435 2.586 20 0 CFADRP C[C@H](c1ccccc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238547 394494337 /nfs/dbraw/zinc/49/43/37/394494337.db2.gz AODLDENFUWWKDA-CRAIPNDOSA-N 2 0 288.435 2.838 20 0 CFADRP CCC[N@H+](Cc1ccc(OC)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000530245526 394495601 /nfs/dbraw/zinc/49/56/01/394495601.db2.gz YQSOHVXSZXIDKM-QGZVFWFLSA-N 2 0 276.424 2.907 20 0 CFADRP Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530249074 394496482 /nfs/dbraw/zinc/49/64/82/394496482.db2.gz TWZFKDHTVLVQAB-OAHLLOKOSA-N 2 0 294.464 2.647 20 0 CFADRP COc1ccc2c(c1)CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000535765680 394543857 /nfs/dbraw/zinc/54/38/57/394543857.db2.gz NBAUNWJHMCVPMV-KRWDZBQOSA-N 2 0 288.435 2.928 20 0 CFADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000537967460 394596031 /nfs/dbraw/zinc/59/60/31/394596031.db2.gz KJEFOMOLEGLCKJ-RDTXWAMCSA-N 2 0 268.404 2.922 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000540158105 394644267 /nfs/dbraw/zinc/64/42/67/394644267.db2.gz ITWVTOUYQBVDMG-WBVHZDCISA-N 2 0 260.425 2.776 20 0 CFADRP c1ccc2c(c1)CC(C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)C2 ZINC000685837919 542948316 /nfs/dbraw/zinc/94/83/16/542948316.db2.gz DTRRYVLATAFJIQ-MRXNPFEDSA-N 2 0 284.447 2.819 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2ccccc2CC1 ZINC000531867851 542961972 /nfs/dbraw/zinc/96/19/72/542961972.db2.gz CCEPQAHIUGIOJM-GOSISDBHSA-N 2 0 272.436 2.962 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)C1CCOCC1 ZINC000532483048 542962835 /nfs/dbraw/zinc/96/28/35/542962835.db2.gz SWEHBBSRGMSEDE-DZGCQCFKSA-N 2 0 256.434 2.512 20 0 CFADRP CCCC[C@@H](CC)CC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000536129643 542964737 /nfs/dbraw/zinc/96/47/37/542964737.db2.gz QXAIZAKDWNFGFQ-IAGOWNOFSA-N 2 0 283.504 2.818 20 0 CFADRP OCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000547972307 394901179 /nfs/dbraw/zinc/90/11/79/394901179.db2.gz OWEVKIMJDJCBMF-IUODEOHRSA-N 2 0 291.420 2.575 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccc(F)cc1 ZINC000166724199 542966971 /nfs/dbraw/zinc/96/69/71/542966971.db2.gz KYEKGEFVGLINOX-FVQBIDKESA-N 2 0 292.398 2.809 20 0 CFADRP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1cccc(F)c1 ZINC000166718551 542967669 /nfs/dbraw/zinc/96/76/69/542967669.db2.gz PJYGAJZIYNIPCN-VNQPRFMTSA-N 2 0 292.398 2.809 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Oc1ccccc1F ZINC000166723041 542967382 /nfs/dbraw/zinc/96/73/82/542967382.db2.gz RTWIOLSVCXNWFV-RBSFLKMASA-N 2 0 292.398 2.809 20 0 CFADRP CC(C)C(C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000558418613 395060370 /nfs/dbraw/zinc/06/03/70/395060370.db2.gz KGBJXZMPRHVMTP-UHFFFAOYSA-N 2 0 297.531 2.872 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(F)(F)F)CC[N@@H+]1C ZINC000558698077 395072555 /nfs/dbraw/zinc/07/25/55/395072555.db2.gz NVRYHYQSBHMFAN-NXEZZACHSA-N 2 0 252.324 2.647 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC000648424461 395138739 /nfs/dbraw/zinc/13/87/39/395138739.db2.gz ZRNWRWPEQFGZLS-MWDXBVQZSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000648416020 395134795 /nfs/dbraw/zinc/13/47/95/395134795.db2.gz FPBSCAHZEKJSSL-IXDOHACOSA-N 2 0 295.515 2.817 20 0 CFADRP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000648450523 395149081 /nfs/dbraw/zinc/14/90/81/395149081.db2.gz QTSIRYUJAMQSCX-KYHPRHEASA-N 2 0 293.499 2.569 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000648515739 395181117 /nfs/dbraw/zinc/18/11/17/395181117.db2.gz XWYRMIIXQXPSEE-ARFHVFGLSA-N 2 0 268.445 2.798 20 0 CFADRP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CCO1 ZINC000648495902 395174610 /nfs/dbraw/zinc/17/46/10/395174610.db2.gz KZCAZZYNDCYIPE-IRXDYDNUSA-N 2 0 276.424 2.795 20 0 CFADRP C1CCC([N@@H+]2CCC[C@H]2c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000647145658 395175493 /nfs/dbraw/zinc/17/54/93/395175493.db2.gz BCWZAKKCOZYRIV-STQMWFEESA-N 2 0 276.384 2.574 20 0 CFADRP CC(C)Cn1nccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000647218940 395234914 /nfs/dbraw/zinc/23/49/14/395234914.db2.gz UYLBSNATOAGADF-UHFFFAOYSA-N 2 0 278.444 2.502 20 0 CFADRP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OC ZINC000648658688 395238954 /nfs/dbraw/zinc/23/89/54/395238954.db2.gz ROKCWYFYKQHROM-CZUORRHYSA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000647248077 395254491 /nfs/dbraw/zinc/25/44/91/395254491.db2.gz YYTQLNCNTFDAGL-TUVASFSCSA-N 2 0 266.429 2.549 20 0 CFADRP CC[C@H]1C[C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)CCO1 ZINC000648519069 395183086 /nfs/dbraw/zinc/18/30/86/395183086.db2.gz UQVLVRZDWJPDCJ-CABCVRRESA-N 2 0 268.445 2.656 20 0 CFADRP Cc1ccccc1-n1cc(C[NH2+]CC2=CC[N@H+](C)CC2)cn1 ZINC000647199164 395219283 /nfs/dbraw/zinc/21/92/83/395219283.db2.gz PFHUXTKRCJLYEO-UHFFFAOYSA-N 2 0 296.418 2.532 20 0 CFADRP C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)C1CC[NH+](C)CC1 ZINC000647345086 395307949 /nfs/dbraw/zinc/30/79/49/395307949.db2.gz DHEOTKPNEMMKHH-DYVFJYSZSA-N 2 0 294.414 2.569 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(F)CC2)[C@H]2CCC[C@H]21 ZINC000647350402 395309849 /nfs/dbraw/zinc/30/98/49/395309849.db2.gz RUMQXPAEAYGHFT-MTERUZRBSA-N 2 0 268.420 2.977 20 0 CFADRP FC1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000647252802 395259220 /nfs/dbraw/zinc/25/92/20/395259220.db2.gz WFMAIHARTCPGLG-CVSAEHQPSA-N 2 0 254.393 2.731 20 0 CFADRP Cn1cnc2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)ccc21 ZINC000647479860 395353955 /nfs/dbraw/zinc/35/39/55/395353955.db2.gz WTJORAUKVWNMBG-HZPDHXFCSA-N 2 0 298.434 2.537 20 0 CFADRP C[N@H+](Cc1cccc2cnccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647487268 395356681 /nfs/dbraw/zinc/35/66/81/395356681.db2.gz SIZXPMYVRSHEPX-SJPCQFCGSA-N 2 0 281.403 2.950 20 0 CFADRP CCOc1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483100 395357196 /nfs/dbraw/zinc/35/71/96/395357196.db2.gz ZBLOWJYECDPVMJ-UHFFFAOYSA-N 2 0 274.408 2.802 20 0 CFADRP c1cnc2c(c1)cccc2C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483092 395357631 /nfs/dbraw/zinc/35/76/31/395357631.db2.gz YMBUKPIJFJAIDZ-UHFFFAOYSA-N 2 0 281.403 2.951 20 0 CFADRP C[C@@H]([NH3+])C1CC[NH+](Cc2cscc2Cl)CC1 ZINC000647491889 395358283 /nfs/dbraw/zinc/35/82/83/395358283.db2.gz WWCOMIVATALLDL-SECBINFHSA-N 2 0 258.818 2.961 20 0 CFADRP CC[C@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)CC[C@@H]1[NH3+] ZINC000647497321 395360419 /nfs/dbraw/zinc/36/04/19/395360419.db2.gz CTIQZHWRYFPWBA-RDJZCZTQSA-N 2 0 288.435 2.613 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647496743 395360687 /nfs/dbraw/zinc/36/06/87/395360687.db2.gz MPJOETGYIZVKQB-HIFRSBDPSA-N 2 0 269.392 2.794 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nccc4ccccc43)C[C@@H]21 ZINC000647511986 395367213 /nfs/dbraw/zinc/36/72/13/395367213.db2.gz XHLDQGFLIUGEKP-BHYGNILZSA-N 2 0 281.403 2.794 20 0 CFADRP C[C@@]1(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC[NH2+]C1 ZINC000647513919 395368596 /nfs/dbraw/zinc/36/85/96/395368596.db2.gz SLFWBAUUQWPGCT-GOSISDBHSA-N 3 0 293.499 2.574 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000647535634 395380653 /nfs/dbraw/zinc/38/06/53/395380653.db2.gz GFTNVWWXMXXDOF-CQSZACIVSA-N 2 0 269.392 2.796 20 0 CFADRP c1cc2cnccc2c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000647541538 395383619 /nfs/dbraw/zinc/38/36/19/395383619.db2.gz ZBNPMFODLBANHI-GOSISDBHSA-N 2 0 281.403 2.810 20 0 CFADRP Cc1ncsc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542896 395384168 /nfs/dbraw/zinc/38/41/68/395384168.db2.gz DKTANGQUPFFBSV-ZIAGYGMSSA-N 2 0 279.453 2.663 20 0 CFADRP C[C@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000647542034 395384365 /nfs/dbraw/zinc/38/43/65/395384365.db2.gz HHPXDEDYAHMCDL-UKRRQHHQSA-N 2 0 252.446 2.990 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543055 395384564 /nfs/dbraw/zinc/38/45/64/395384564.db2.gz GZMDUYSNXYTXRI-HZPDHXFCSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542679 395384801 /nfs/dbraw/zinc/38/48/01/395384801.db2.gz AAUXGVKEJMNJKS-HZPDHXFCSA-N 2 0 273.424 2.602 20 0 CFADRP Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543496 395384929 /nfs/dbraw/zinc/38/49/29/395384929.db2.gz OKJCJRCBXREPGV-ZIAGYGMSSA-N 2 0 279.453 2.663 20 0 CFADRP CCc1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543817 395386045 /nfs/dbraw/zinc/38/60/45/395386045.db2.gz SJZWBALNNATIGW-KBPBESRZSA-N 2 0 293.480 2.917 20 0 CFADRP C[C@H](COc1cccc(F)c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549317 395387981 /nfs/dbraw/zinc/38/79/81/395387981.db2.gz SNPSQVXFKTYIEI-ORIJERBGSA-N 2 0 292.398 2.571 20 0 CFADRP CCOc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549013 395388112 /nfs/dbraw/zinc/38/81/12/395388112.db2.gz FJRCBFSQYUUYJH-BRWVUGGUSA-N 2 0 288.435 2.606 20 0 CFADRP Clc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549295 395388162 /nfs/dbraw/zinc/38/81/62/395388162.db2.gz RAYYBWJJCZAPIC-RBSFLKMASA-N 2 0 278.827 2.860 20 0 CFADRP Clc1ccccc1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549297 395388364 /nfs/dbraw/zinc/38/83/64/395388364.db2.gz RAYYBWJJCZAPIC-SOUVJXGZSA-N 2 0 278.827 2.860 20 0 CFADRP CC(C)c1nc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000647551009 395389327 /nfs/dbraw/zinc/38/93/27/395389327.db2.gz SNMXWUTUMMIXTL-BFHYXJOUSA-N 2 0 293.480 2.787 20 0 CFADRP Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549888 395389511 /nfs/dbraw/zinc/38/95/11/395389511.db2.gz WMEGMORBQQHECV-IXDOHACOSA-N 2 0 272.436 2.824 20 0 CFADRP COc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549899 395389531 /nfs/dbraw/zinc/38/95/31/395389531.db2.gz WUUCCQADIZLBHL-NJZAAPMLSA-N 2 0 294.826 2.826 20 0 CFADRP Cc1cc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C)c1O ZINC000647551375 395390986 /nfs/dbraw/zinc/39/09/86/395390986.db2.gz LBKUPSADAYLOAU-YESZJQIVSA-N 2 0 288.435 2.529 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000647552778 395391835 /nfs/dbraw/zinc/39/18/35/395391835.db2.gz WSOMALDBMLDVSI-CABCVRRESA-N 2 0 299.418 2.876 20 0 CFADRP COc1ccccc1C1([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000647552979 395391955 /nfs/dbraw/zinc/39/19/55/395391955.db2.gz IIUJEBPEESYUBU-KGLIPLIRSA-N 2 0 274.408 2.662 20 0 CFADRP CCC[N@@H+]1CC[C@H](CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000647859127 395446152 /nfs/dbraw/zinc/44/61/52/395446152.db2.gz VXKKWLDPNGWYAG-GFCCVEGCSA-N 2 0 258.369 2.707 20 0 CFADRP CC[N@@H+]1CCCC[C@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000647868363 395447587 /nfs/dbraw/zinc/44/75/87/395447587.db2.gz RWORBBSXCONSHX-LBPRGKRZSA-N 2 0 258.369 2.849 20 0 CFADRP COc1ccc(C[N@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)C2CC2)cc1 ZINC000647873411 395448922 /nfs/dbraw/zinc/44/89/22/395448922.db2.gz HGXSGWAVVTZYEY-GDBMZVCRSA-N 2 0 288.435 2.905 20 0 CFADRP Cc1cc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)on1 ZINC000647880415 395449678 /nfs/dbraw/zinc/44/96/78/395449678.db2.gz YIVDOZZSTZCTDD-OAHLLOKOSA-N 2 0 277.412 2.900 20 0 CFADRP c1ccc(O[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000647880401 395450142 /nfs/dbraw/zinc/45/01/42/395450142.db2.gz VEAATTPRFCSEOI-SFHVURJKSA-N 2 0 288.435 2.920 20 0 CFADRP C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647881148 395450873 /nfs/dbraw/zinc/45/08/73/395450873.db2.gz HESGDDMBVGORDG-ZDUSSCGKSA-N 2 0 282.815 2.650 20 0 CFADRP Clc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647881532 395451260 /nfs/dbraw/zinc/45/12/60/395451260.db2.gz DPUKNHZNQAPLAB-HIFRSBDPSA-N 2 0 278.827 2.956 20 0 CFADRP C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@H]1CC[NH2+]C1 ZINC000647882835 395451542 /nfs/dbraw/zinc/45/15/42/395451542.db2.gz DYLSYHQKITYUNN-HNNXBMFYSA-N 2 0 299.418 2.816 20 0 CFADRP c1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)cc1 ZINC000647883447 395451610 /nfs/dbraw/zinc/45/16/10/395451610.db2.gz QIAWFGBCPTYAFF-IRXDYDNUSA-N 2 0 258.409 2.693 20 0 CFADRP CCOC[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647885792 395452223 /nfs/dbraw/zinc/45/22/23/395452223.db2.gz QRSQKLGLQIALHG-INIZCTEOSA-N 2 0 268.445 2.515 20 0 CFADRP c1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647884498 395452683 /nfs/dbraw/zinc/45/26/83/395452683.db2.gz WUCSTCRHZZDEBY-IAGOWNOFSA-N 2 0 258.409 2.551 20 0 CFADRP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000647888038 395453055 /nfs/dbraw/zinc/45/30/55/395453055.db2.gz DQXRAVOTLKKCJN-KRWDZBQOSA-N 2 0 280.456 2.659 20 0 CFADRP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC[NH2+]C2)C1(CC)CC ZINC000647891555 395454910 /nfs/dbraw/zinc/45/49/10/395454910.db2.gz PSDVLESCPBTHQD-SOUVJXGZSA-N 2 0 268.445 2.512 20 0 CFADRP CC[C@@H]1C[N@H+](CCCc2ccsc2)CC[C@@H]1[NH3+] ZINC000647934471 395460736 /nfs/dbraw/zinc/46/07/36/395460736.db2.gz GPUJWGMIAYGAMQ-KGLIPLIRSA-N 2 0 252.427 2.740 20 0 CFADRP CC[C@@H]1C[N@H+](CCOc2ccc(SC)cc2)CC[C@H]1[NH3+] ZINC000647937458 395462247 /nfs/dbraw/zinc/46/22/47/395462247.db2.gz ZYLMNNYXAQUQTP-CZUORRHYSA-N 2 0 294.464 2.847 20 0 CFADRP CC(C)[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000649268583 395465281 /nfs/dbraw/zinc/46/52/81/395465281.db2.gz VQPLEHZBDSUUKP-MRXNPFEDSA-N 2 0 289.423 2.594 20 0 CFADRP Cc1cccc([C@@H]2CCCN2C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000647960141 395466526 /nfs/dbraw/zinc/46/65/26/395466526.db2.gz HXPPAKCXPIMUBM-ROUUACIJSA-N 2 0 290.451 2.833 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CCCCC1 ZINC000647959860 395466895 /nfs/dbraw/zinc/46/68/95/395466895.db2.gz QVILYTGBYXDLTB-DLBZAZTESA-N 2 0 282.472 2.732 20 0 CFADRP CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647965252 395468256 /nfs/dbraw/zinc/46/82/56/395468256.db2.gz OGPFIHHXSWAEES-ZWKOTPCHSA-N 2 0 292.467 2.641 20 0 CFADRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647978560 395471494 /nfs/dbraw/zinc/47/14/94/395471494.db2.gz UWODXWQQIKWPFJ-AEFFLSMTSA-N 2 0 287.451 2.910 20 0 CFADRP CC(C)n1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977479 395471605 /nfs/dbraw/zinc/47/16/05/395471605.db2.gz CFVROGHZQVTCPV-HZPDHXFCSA-N 2 0 290.455 2.676 20 0 CFADRP c1c2ccccc2oc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786448 395427789 /nfs/dbraw/zinc/42/77/89/395427789.db2.gz PGEZNPPADRVIHK-RRFJBIMHSA-N 2 0 270.376 2.911 20 0 CFADRP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647786188 395427801 /nfs/dbraw/zinc/42/78/01/395427801.db2.gz JYPSPOOHTKLAKP-RWMBFGLXSA-N 2 0 293.480 2.918 20 0 CFADRP CCc1nc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000647784447 395427920 /nfs/dbraw/zinc/42/79/20/395427920.db2.gz UKLSCKDNVVPHNJ-WUHRBBMRSA-N 2 0 279.453 2.744 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000647784450 395427965 /nfs/dbraw/zinc/42/79/65/395427965.db2.gz UMVQWSALJZQEOU-BRWVUGGUSA-N 2 0 258.409 2.781 20 0 CFADRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000647784451 395428070 /nfs/dbraw/zinc/42/80/70/395428070.db2.gz UMVQWSALJZQEOU-GVDBMIGSSA-N 2 0 258.409 2.781 20 0 CFADRP CCc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647786581 395428131 /nfs/dbraw/zinc/42/81/31/395428131.db2.gz SIJYUGZVKWBQDK-RCCFBDPRSA-N 2 0 272.436 2.769 20 0 CFADRP c1ccc2nc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2c1 ZINC000647786123 395428135 /nfs/dbraw/zinc/42/81/35/395428135.db2.gz INIPDZKXPXNJHC-LZLYRXPVSA-N 2 0 295.430 2.755 20 0 CFADRP c1ccc(C2(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647788550 395428851 /nfs/dbraw/zinc/42/88/51/395428851.db2.gz LWOMDWPPTBEBSS-YQQAZPJKSA-N 2 0 270.420 2.696 20 0 CFADRP CCN(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CC(C)C ZINC000647787957 395429003 /nfs/dbraw/zinc/42/90/03/395429003.db2.gz BEBWIELRSOUFPC-MLHJIOFPSA-N 2 0 295.515 2.721 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCCO1 ZINC000647791712 395429524 /nfs/dbraw/zinc/42/95/24/395429524.db2.gz KWHXZQPHTVPUKY-FPCVCCKLSA-N 2 0 280.456 2.559 20 0 CFADRP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCO2 ZINC000647791424 395429586 /nfs/dbraw/zinc/42/95/86/395429586.db2.gz CSVQEBGNJSZASF-CAVOSLQRSA-N 2 0 290.382 2.627 20 0 CFADRP CCOCCC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000647791615 395429591 /nfs/dbraw/zinc/42/95/91/395429591.db2.gz ISIRWGXENRJWBB-OWCLPIDISA-N 2 0 280.456 2.561 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791950 395430438 /nfs/dbraw/zinc/43/04/38/395430438.db2.gz QVSUPHULUUUJGU-BRWVUGGUSA-N 2 0 288.435 2.660 20 0 CFADRP CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000647793754 395430480 /nfs/dbraw/zinc/43/04/80/395430480.db2.gz HCBVOYDIJFIICM-RCCFBDPRSA-N 2 0 284.447 2.769 20 0 CFADRP Fc1ccccc1NCCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794334 395431114 /nfs/dbraw/zinc/43/11/14/395431114.db2.gz YJCCADWYIVWAEZ-RRFJBIMHSA-N 2 0 291.414 2.605 20 0 CFADRP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000647793855 395431229 /nfs/dbraw/zinc/43/12/29/395431229.db2.gz JVNRAQIRNPDVLI-YXCITZCRSA-N 2 0 279.453 2.533 20 0 CFADRP COCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C)o1 ZINC000647793863 395431233 /nfs/dbraw/zinc/43/12/33/395431233.db2.gz KDDIPHJJTRSFJV-QXSJWSMHSA-N 2 0 292.423 2.643 20 0 CFADRP c1ccc(CC2([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647795064 395431904 /nfs/dbraw/zinc/43/19/04/395431904.db2.gz IVOXWKYPAYXQRA-BRWVUGGUSA-N 2 0 270.420 2.739 20 0 CFADRP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647798296 395432547 /nfs/dbraw/zinc/43/25/47/395432547.db2.gz PBCQIULUFSLWHT-ICUGJSFKSA-N 2 0 270.420 2.768 20 0 CFADRP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798066 395432558 /nfs/dbraw/zinc/43/25/58/395432558.db2.gz KNZFLYATDCHNSN-OXGONZEZSA-N 2 0 250.430 2.790 20 0 CFADRP FC1(F)CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647796681 395432721 /nfs/dbraw/zinc/43/27/21/395432721.db2.gz JKBMBJBATKHIPP-RFQIPJPRSA-N 2 0 272.383 2.790 20 0 CFADRP Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2[nH]1 ZINC000647796981 395432784 /nfs/dbraw/zinc/43/27/84/395432784.db2.gz TWKPFPOONXEXMZ-HYVNUMGLSA-N 2 0 283.419 2.954 20 0 CFADRP c1cnc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000647797046 395432861 /nfs/dbraw/zinc/43/28/61/395432861.db2.gz VTSVFUKZZIMSSB-YESZJQIVSA-N 2 0 281.403 2.713 20 0 CFADRP Fc1ccc(CC2([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647798901 395433500 /nfs/dbraw/zinc/43/35/00/395433500.db2.gz YXCLULLOJAAZGK-ZMSDIMECSA-N 2 0 288.410 2.879 20 0 CFADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000647798946 395433661 /nfs/dbraw/zinc/43/36/61/395433661.db2.gz ZKYQPHABGOKEHS-FRRDWIJNSA-N 2 0 299.340 2.578 20 0 CFADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[C@@H]1C1CC1 ZINC000647799885 395433671 /nfs/dbraw/zinc/43/36/71/395433671.db2.gz RZMZLLQCZXBUQX-NQNKBUKLSA-N 2 0 262.441 2.790 20 0 CFADRP F[C@H]1CCC[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000647799541 395433713 /nfs/dbraw/zinc/43/37/13/395433713.db2.gz JNQVXNVADPGUEQ-STQMWFEESA-N 2 0 281.375 2.512 20 0 CFADRP FC(F)(F)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000647798947 395433989 /nfs/dbraw/zinc/43/39/89/395433989.db2.gz ZKYQPHABGOKEHS-JHJVBQTASA-N 2 0 299.340 2.578 20 0 CFADRP COc1ccccc1C1([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000647802439 395436090 /nfs/dbraw/zinc/43/60/90/395436090.db2.gz LODGAMBHDIYISN-CYBMUJFWSA-N 2 0 262.397 2.791 20 0 CFADRP C[NH+](C)[C@H](CNc1[nH+]ccc2[nH]ccc21)c1ccco1 ZINC000647846703 395444417 /nfs/dbraw/zinc/44/44/17/395444417.db2.gz OQZHSVKDFNMEJQ-CYBMUJFWSA-N 2 0 270.336 2.871 20 0 CFADRP C[N@H+](CCC[NH3+])CCCOc1cccc2ccccc21 ZINC000647848627 395445007 /nfs/dbraw/zinc/44/50/07/395445007.db2.gz ZVJVSNWPDZCIMI-UHFFFAOYSA-N 2 0 272.392 2.889 20 0 CFADRP CC(C)Cn1nccc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000648010547 395479906 /nfs/dbraw/zinc/47/99/06/395479906.db2.gz HQTSBDPRIWHPIQ-INIZCTEOSA-N 2 0 292.471 2.845 20 0 CFADRP C[N@H+](CCC[NH3+])Cc1c(-c2ccccc2)nc2ccccn21 ZINC000649410199 395488787 /nfs/dbraw/zinc/48/87/87/395488787.db2.gz YHRSQSRDBTWXMZ-UHFFFAOYSA-N 2 0 294.402 2.782 20 0 CFADRP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649418003 395490700 /nfs/dbraw/zinc/49/07/00/395490700.db2.gz UGXPMBDZLOREER-OIISXLGYSA-N 2 0 273.424 2.854 20 0 CFADRP C[NH+](C)CCOc1ccc(C[N@H+](C)C(C)(C)C)cc1 ZINC000648070375 395496844 /nfs/dbraw/zinc/49/68/44/395496844.db2.gz WHZAVWATFWCHDP-UHFFFAOYSA-N 2 0 264.413 2.857 20 0 CFADRP C[C@@H]1CC[N@H+](CCOc2ccc(C3=CC[NH2+]CC3)cc2)C1 ZINC000649442919 395498317 /nfs/dbraw/zinc/49/83/17/395498317.db2.gz CKNDDRQARZUALG-OAHLLOKOSA-N 2 0 286.419 2.784 20 0 CFADRP C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)C1CC[NH+](C)CC1 ZINC000037219884 543027495 /nfs/dbraw/zinc/02/74/95/543027495.db2.gz APPNLOUUMBTUJK-MAUKXSAKSA-N 2 0 289.467 2.609 20 0 CFADRP CC(C)OCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186640141 543053507 /nfs/dbraw/zinc/05/35/07/543053507.db2.gz PLQGQARRENESEI-OAHLLOKOSA-N 2 0 294.439 2.703 20 0 CFADRP Clc1ccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000312993651 413094177 /nfs/dbraw/zinc/09/41/77/413094177.db2.gz XZNZVLKGUYHLGA-KGLIPLIRSA-N 2 0 294.826 2.650 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000336785532 292077496 /nfs/dbraw/zinc/07/74/96/292077496.db2.gz DZBQFTCCCPQRHG-KGLIPLIRSA-N 2 0 256.434 2.512 20 0 CFADRP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000340534303 292077862 /nfs/dbraw/zinc/07/78/62/292077862.db2.gz KDTAGNXPBURZEO-GJZGRUSLSA-N 2 0 270.461 2.758 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422714351 292081085 /nfs/dbraw/zinc/08/10/85/292081085.db2.gz QYHVGUIDMKBABV-BHYGNILZSA-N 2 0 290.451 2.615 20 0 CFADRP C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CC1CCCC1 ZINC000401012806 413160063 /nfs/dbraw/zinc/16/00/63/413160063.db2.gz HQVLTSZJORVBJB-OWCLPIDISA-N 2 0 250.430 2.935 20 0 CFADRP Cc1ccsc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400999673 413160264 /nfs/dbraw/zinc/16/02/64/413160264.db2.gz GHAWJBUAUQZASW-RWMBFGLXSA-N 2 0 250.411 2.534 20 0 CFADRP FC1(F)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401008259 413160382 /nfs/dbraw/zinc/16/03/82/413160382.db2.gz QFONPAXRNJBOHV-NQBHXWOUSA-N 2 0 258.356 2.542 20 0 CFADRP Clc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401028518 413160620 /nfs/dbraw/zinc/16/06/20/413160620.db2.gz KFZCORKPWOXTCM-OFQRWUPVSA-N 2 0 278.827 2.860 20 0 CFADRP CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000401023207 413161154 /nfs/dbraw/zinc/16/11/54/413161154.db2.gz LZCOSBSWJBLKFR-MTERUZRBSA-N 2 0 250.430 2.790 20 0 CFADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CC2CCC1CC2 ZINC000401037723 413159417 /nfs/dbraw/zinc/15/94/17/413159417.db2.gz NQUSJIWKGMGQAT-RMGMUHOQSA-N 2 0 262.441 2.790 20 0 CFADRP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000401043896 413161540 /nfs/dbraw/zinc/16/15/40/413161540.db2.gz UZEFXVDATUJZRU-DGXTUMSLSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CS1 ZINC000390756740 397543895 /nfs/dbraw/zinc/54/38/95/397543895.db2.gz WUZPZUMIQURZCX-OIISXLGYSA-N 2 0 290.476 2.992 20 0 CFADRP c1sc2ccccc2c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000109119984 397598441 /nfs/dbraw/zinc/59/84/41/397598441.db2.gz YPSVZYUPEJOBBG-RYUDHWBXSA-N 2 0 258.390 2.553 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000252445243 397628057 /nfs/dbraw/zinc/62/80/57/397628057.db2.gz UIDCVJWVNQKNDM-KNCCTNLNSA-N 2 0 272.436 2.862 20 0 CFADRP COc1cccc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000403040953 413175506 /nfs/dbraw/zinc/17/55/06/413175506.db2.gz WODAZGYSCRBVQD-KMFMINBZSA-N 2 0 274.408 2.817 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000650757563 397885383 /nfs/dbraw/zinc/88/53/83/397885383.db2.gz ZYTYPHNUTQGCNV-LBPRGKRZSA-N 2 0 273.355 2.791 20 0 CFADRP C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)[C@@H]1CCC[NH2+]1 ZINC000650760035 397886499 /nfs/dbraw/zinc/88/64/99/397886499.db2.gz VVKUDHHSWQRHRQ-IMJJTQAJSA-N 2 0 273.424 2.534 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703553 397859743 /nfs/dbraw/zinc/85/97/43/397859743.db2.gz GFNSURZHRIWVTP-MRXNPFEDSA-N 2 0 258.409 2.879 20 0 CFADRP CC[C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@H]1[NH3+] ZINC000650703199 397859835 /nfs/dbraw/zinc/85/98/35/397859835.db2.gz OXKAZAXRSHGHJJ-CXAGYDPISA-N 2 0 258.409 2.735 20 0 CFADRP COCC[NH2+]C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000650704753 397860783 /nfs/dbraw/zinc/86/07/83/397860783.db2.gz XXWNFJYYMJBXJO-UHFFFAOYSA-N 2 0 290.451 2.665 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000650705597 397860920 /nfs/dbraw/zinc/86/09/20/397860920.db2.gz NAQGGYQAXDTAQM-USXIJHARSA-N 2 0 292.398 2.544 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000650705713 397860984 /nfs/dbraw/zinc/86/09/84/397860984.db2.gz STRFFMLKTPQKPJ-OIISXLGYSA-N 2 0 292.398 2.544 20 0 CFADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1nc2ccccc2n1C ZINC000650763111 397887757 /nfs/dbraw/zinc/88/77/57/397887757.db2.gz RIJHOYKOPMMBSG-ZDUSSCGKSA-N 2 0 286.423 2.614 20 0 CFADRP C[C@H](C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C(C)(C)C ZINC000650707754 397861937 /nfs/dbraw/zinc/86/19/37/397861937.db2.gz MILFNCHOCACHJZ-UGUYLWEFSA-N 2 0 282.472 2.887 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccccc1N(C)C ZINC000650762816 397887893 /nfs/dbraw/zinc/88/78/93/397887893.db2.gz LALURKMTORHEAU-CQSZACIVSA-N 2 0 275.440 2.793 20 0 CFADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC000650709800 397863287 /nfs/dbraw/zinc/86/32/87/397863287.db2.gz RCYASBAPGQUENR-WMZOPIPTSA-N 2 0 270.420 2.736 20 0 CFADRP [NH3+]CC1(CC[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000650711899 397863565 /nfs/dbraw/zinc/86/35/65/397863565.db2.gz HVDMXUZRPSZSSS-UHFFFAOYSA-N 2 0 272.314 2.924 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)[C@H]1CC[NH3+] ZINC000650711037 397863961 /nfs/dbraw/zinc/86/39/61/397863961.db2.gz GVRUNWJJTBFYSF-CJNGLKHVSA-N 2 0 286.423 2.523 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1C ZINC000650711878 397864150 /nfs/dbraw/zinc/86/41/50/397864150.db2.gz HEFHUILTRXMEII-XJKSGUPXSA-N 2 0 276.424 2.953 20 0 CFADRP COc1cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)ccc1F ZINC000650763392 397887993 /nfs/dbraw/zinc/88/79/93/397887993.db2.gz ZAPSDYPEDDSSQZ-LBPRGKRZSA-N 2 0 280.387 2.875 20 0 CFADRP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc(Cl)c1OC ZINC000650711950 397864958 /nfs/dbraw/zinc/86/49/58/397864958.db2.gz KRVGHMTXSRPQMX-UHFFFAOYSA-N 2 0 298.814 2.576 20 0 CFADRP C[C@@H](CCc1cccc(F)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713225 397865014 /nfs/dbraw/zinc/86/50/14/397865014.db2.gz KWKDSFADZWUYOX-ZDUSSCGKSA-N 2 0 264.388 2.865 20 0 CFADRP Cc1ccc(CCC[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650712241 397865097 /nfs/dbraw/zinc/86/50/97/397865097.db2.gz XPKMNODPEPVXCP-PBHICJAKSA-N 2 0 275.440 2.772 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000650715095 397865722 /nfs/dbraw/zinc/86/57/22/397865722.db2.gz PDGLMQKIZRZASY-CKEIUWERSA-N 2 0 258.409 2.960 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000650715098 397865960 /nfs/dbraw/zinc/86/59/60/397865960.db2.gz PDGLMQKIZRZASY-JKIFEVAISA-N 2 0 258.409 2.960 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000650718697 397868504 /nfs/dbraw/zinc/86/85/04/397868504.db2.gz UDSQDXVDFCPLJH-UHFFFAOYSA-N 2 0 258.340 2.835 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC000650718595 397868526 /nfs/dbraw/zinc/86/85/26/397868526.db2.gz RVRFTEMDVKACGF-UHFFFAOYSA-N 2 0 276.330 2.974 20 0 CFADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C12CCC2 ZINC000650718036 397868546 /nfs/dbraw/zinc/86/85/46/397868546.db2.gz VMRJCFKENXTIOH-XFBWCDHKSA-N 2 0 292.398 2.578 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000650719624 397869006 /nfs/dbraw/zinc/86/90/06/397869006.db2.gz WSNGQGDKCSCLRO-UHFFFAOYSA-N 2 0 266.388 2.663 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764434 397888564 /nfs/dbraw/zinc/88/85/64/397888564.db2.gz YORQMFDRTJAGAT-AWEZNQCLSA-N 2 0 276.424 2.606 20 0 CFADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650721154 397870301 /nfs/dbraw/zinc/87/03/01/397870301.db2.gz SJTOQELBXCDQJV-OIISXLGYSA-N 2 0 287.451 2.924 20 0 CFADRP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722507 397871125 /nfs/dbraw/zinc/87/11/25/397871125.db2.gz VVPJUQZAHJSGIP-RCCFBDPRSA-N 2 0 288.435 2.856 20 0 CFADRP CC(C)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650725035 397871181 /nfs/dbraw/zinc/87/11/81/397871181.db2.gz RVFRBUKDXMJWTH-ARFHVFGLSA-N 2 0 268.445 2.783 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccs2)C1 ZINC000650722491 397871649 /nfs/dbraw/zinc/87/16/49/397871649.db2.gz VTJVXYHKAVXVTA-SNPRPXQTSA-N 2 0 280.437 2.609 20 0 CFADRP CC(C)C[N@H+](C)CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000650740088 397874310 /nfs/dbraw/zinc/87/43/10/397874310.db2.gz GGZOPCGJQNWLTD-KZNAEPCWSA-N 2 0 295.515 2.865 20 0 CFADRP CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000650741644 397875414 /nfs/dbraw/zinc/87/54/14/397875414.db2.gz IMOMWINRWGPNAJ-UYJHQMFVSA-N 2 0 280.456 2.558 20 0 CFADRP CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(OC)c1 ZINC000650743978 397877370 /nfs/dbraw/zinc/87/73/70/397877370.db2.gz CVISLDXATCMZIC-OAHLLOKOSA-N 2 0 262.397 2.865 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)C12CCCCC2 ZINC000650745962 397878903 /nfs/dbraw/zinc/87/89/03/397878903.db2.gz SFPUPKOWTPCTDY-HUUCEWRRSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+]CC1(CC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000650745787 397878937 /nfs/dbraw/zinc/87/89/37/397878937.db2.gz NVZSNUZIGIWPNJ-CQSZACIVSA-N 2 0 260.381 2.619 20 0 CFADRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650746000 397879688 /nfs/dbraw/zinc/87/96/88/397879688.db2.gz TWQOFTDXXYMEOX-AWEZNQCLSA-N 2 0 298.434 2.960 20 0 CFADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650754339 397883703 /nfs/dbraw/zinc/88/37/03/397883703.db2.gz GVERPSCOMGBHJR-JKSUJKDBSA-N 2 0 294.414 2.968 20 0 CFADRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)C1CCSCC1 ZINC000650754258 397883812 /nfs/dbraw/zinc/88/38/12/397883812.db2.gz DZZZZSKLVRVVDC-LLVKDONJSA-N 2 0 282.428 2.906 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1(C)C ZINC000650754467 397884048 /nfs/dbraw/zinc/88/40/48/397884048.db2.gz JTRKTQDKVPOVKK-HZPDHXFCSA-N 2 0 294.414 2.966 20 0 CFADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000650756540 397884473 /nfs/dbraw/zinc/88/44/73/397884473.db2.gz DAAVJIWFOSVKSQ-AWEZNQCLSA-N 2 0 284.403 2.749 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC1Cc2ccccc2C1 ZINC000423014229 296576790 /nfs/dbraw/zinc/57/67/90/296576790.db2.gz OLVNDFAIZVPVBA-RDTXWAMCSA-N 2 0 272.436 2.769 20 0 CFADRP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404278829 413192654 /nfs/dbraw/zinc/19/26/54/413192654.db2.gz OOBICKHTFVDUBZ-GUYCJALGSA-N 2 0 289.423 2.594 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@H]1CC[NH3+] ZINC000404311962 413197484 /nfs/dbraw/zinc/19/74/84/413197484.db2.gz XCVMCUBWPHHLMV-DOMZBBRYSA-N 2 0 250.361 2.775 20 0 CFADRP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(OC)c1 ZINC000404298697 413196349 /nfs/dbraw/zinc/19/63/49/413196349.db2.gz YJHLJVRNFVTQBV-DYVFJYSZSA-N 2 0 292.423 2.653 20 0 CFADRP C[C@H](CC[NH+](C)C)[NH2+]CCc1ccc(F)cc1Cl ZINC000356157688 155173926 /nfs/dbraw/zinc/17/39/26/155173926.db2.gz DACLYSSTKWDMSJ-LLVKDONJSA-N 2 0 272.795 2.951 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000356170318 155176670 /nfs/dbraw/zinc/17/66/70/155176670.db2.gz SPRKUEUYIJXJPM-CYBMUJFWSA-N 2 0 256.459 2.594 20 0 CFADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404987523 413219050 /nfs/dbraw/zinc/21/90/50/413219050.db2.gz FHHRELOVHYAZGC-HUUCEWRRSA-N 2 0 258.409 2.648 20 0 CFADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCc2ccccc21 ZINC000404901381 413219143 /nfs/dbraw/zinc/21/91/43/413219143.db2.gz QERUHEPPGXYBQG-CQSZACIVSA-N 2 0 258.409 2.648 20 0 CFADRP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCc2ccccc21 ZINC000404864773 413219803 /nfs/dbraw/zinc/21/98/03/413219803.db2.gz AVMYAWURFAWFID-WMLDXEAASA-N 2 0 258.409 2.648 20 0 CFADRP Cc1ccncc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782553 413220094 /nfs/dbraw/zinc/22/00/94/413220094.db2.gz HLEOFFWNLDOZBO-MRXNPFEDSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]1C ZINC000663464896 413221507 /nfs/dbraw/zinc/22/15/07/413221507.db2.gz GQWNIGZCRNNHAX-VRKREXBASA-N 2 0 250.430 2.743 20 0 CFADRP CCO[C@@H]1C[N@H+](Cc2c(C)oc3ccccc32)C[C@H]1C[NH3+] ZINC000405620271 413224287 /nfs/dbraw/zinc/22/42/87/413224287.db2.gz VRNNRQCAGREHRB-CXAGYDPISA-N 2 0 288.391 2.537 20 0 CFADRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)C1CC1 ZINC000663467550 413223928 /nfs/dbraw/zinc/22/39/28/413223928.db2.gz GPIPKEPWMCUZAZ-HOCLYGCPSA-N 2 0 250.430 2.887 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@]1(C)CCCO1 ZINC000663466038 413224056 /nfs/dbraw/zinc/22/40/56/413224056.db2.gz NIIXCAZLOWMLEZ-BHYGNILZSA-N 2 0 280.456 2.656 20 0 CFADRP C([NH2+][C@H]1CCCSCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466232 413225619 /nfs/dbraw/zinc/22/56/19/413225619.db2.gz PTJLSJKJBNVINI-CVEARBPZSA-N 2 0 282.497 2.984 20 0 CFADRP COc1ccccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786451 413226013 /nfs/dbraw/zinc/22/60/13/413226013.db2.gz SVUQNGKGTPIRQY-MRXNPFEDSA-N 2 0 288.435 2.907 20 0 CFADRP CCOCCC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422998784 286050412 /nfs/dbraw/zinc/05/04/12/286050412.db2.gz DIPXBEWUHAXLAY-CVEARBPZSA-N 2 0 274.408 2.928 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)C)[C@@H](C)C1 ZINC000248054361 286064400 /nfs/dbraw/zinc/06/44/00/286064400.db2.gz WXNQMGNJKFCNNU-XHSDSOJGSA-N 2 0 270.461 2.758 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348340195 292193639 /nfs/dbraw/zinc/19/36/39/292193639.db2.gz XLYVCUCPQVKXRN-LSDHHAIUSA-N 2 0 268.445 2.656 20 0 CFADRP COCC(C)(C)CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423118367 292193775 /nfs/dbraw/zinc/19/37/75/292193775.db2.gz AEXCMQCLPIWODK-ZIAGYGMSSA-N 2 0 256.434 2.559 20 0 CFADRP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656786985 413230402 /nfs/dbraw/zinc/23/04/02/413230402.db2.gz YYAAIJWIMIDTBH-HNNXBMFYSA-N 2 0 264.438 2.960 20 0 CFADRP C[C@H](CCc1ccsc1)[NH2+]CC1([NH3+])CCCC1 ZINC000656788670 413230811 /nfs/dbraw/zinc/23/08/11/413230811.db2.gz ANDXUECPTSZYEG-GFCCVEGCSA-N 2 0 252.427 2.930 20 0 CFADRP Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000656787257 413231031 /nfs/dbraw/zinc/23/10/31/413231031.db2.gz VTQAKZUVZBAJLD-KRWDZBQOSA-N 2 0 273.424 2.602 20 0 CFADRP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH3+])CCCC1 ZINC000656789306 413233453 /nfs/dbraw/zinc/23/34/53/413233453.db2.gz MHHHVSOBYFVIIM-LBPRGKRZSA-N 2 0 250.361 2.618 20 0 CFADRP COc1cccc([C@]2(C)CC[N@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000656791807 413235148 /nfs/dbraw/zinc/23/51/48/413235148.db2.gz KJQBDHWERWJCDA-GOSISDBHSA-N 2 0 288.435 2.658 20 0 CFADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656789536 413234698 /nfs/dbraw/zinc/23/46/98/413234698.db2.gz PTSXSUARTBQXSM-DOTOQJQBSA-N 2 0 293.499 2.891 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)[C@H](C)C1 ZINC000656791710 413236127 /nfs/dbraw/zinc/23/61/27/413236127.db2.gz LHGXHSWMRAIUOR-DQYPLSBCSA-N 2 0 273.424 2.576 20 0 CFADRP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1O ZINC000656789363 413237162 /nfs/dbraw/zinc/23/71/62/413237162.db2.gz NNNZZRVJNVSSFE-CYBMUJFWSA-N 2 0 292.423 2.583 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CCC(C[NH+](C)C)CC3)C[C@H]2C1 ZINC000424303414 286113130 /nfs/dbraw/zinc/11/31/30/286113130.db2.gz NWHJJTVNMQSPLH-UUACKQOHSA-N 2 0 294.483 2.900 20 0 CFADRP C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(-n3ccnc3)cc2)C1 ZINC000356369860 155241800 /nfs/dbraw/zinc/24/18/00/155241800.db2.gz QGSQUXGUIHKLLK-CRAIPNDOSA-N 2 0 299.418 2.855 20 0 CFADRP C[C@@H]1C[C@@H](C[NH+]2CCC([C@@H]3CCCCO3)CC2)CC[NH2+]1 ZINC000656792710 413239055 /nfs/dbraw/zinc/23/90/55/413239055.db2.gz WMKGRIXKSAIRLO-VYDXJSESSA-N 2 0 280.456 2.656 20 0 CFADRP CSC1(C[NH2+]CC2CC[NH+](C3CC3)CC2)CCC1 ZINC000356407240 155255769 /nfs/dbraw/zinc/25/57/69/155255769.db2.gz OQXNJBTXFRZEKH-UHFFFAOYSA-N 2 0 268.470 2.736 20 0 CFADRP CCOC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000233786753 286169555 /nfs/dbraw/zinc/16/95/55/286169555.db2.gz PNOVKWIWZDUYQD-JYJNAYRXSA-N 2 0 270.461 2.948 20 0 CFADRP c1cncc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CCC2)c1 ZINC000423421251 296635811 /nfs/dbraw/zinc/63/58/11/296635811.db2.gz AVDHPAGYXLCUSW-KSZLIROESA-N 2 0 285.435 2.901 20 0 CFADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000663501923 413245925 /nfs/dbraw/zinc/24/59/25/413245925.db2.gz ZORYPSOXHFYVAA-FFDQMNFHSA-N 2 0 270.420 2.838 20 0 CFADRP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663499760 413246148 /nfs/dbraw/zinc/24/61/48/413246148.db2.gz MBTJFVFGSKFKCD-IAGOWNOFSA-N 2 0 296.430 2.736 20 0 CFADRP CC(C)[C@H]([NH3+])CCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000663500960 413247191 /nfs/dbraw/zinc/24/71/91/413247191.db2.gz WWLVJSOVRVBZMI-KBAYOESNSA-N 2 0 295.515 2.993 20 0 CFADRP c1nn2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423097023 296649622 /nfs/dbraw/zinc/64/96/22/296649622.db2.gz AAUAFTBIBFONNI-YESZJQIVSA-N 2 0 298.434 2.735 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc2cnccc2c1 ZINC000663502139 413250125 /nfs/dbraw/zinc/25/01/25/413250125.db2.gz GMKIZZTUBGPWIM-MRXNPFEDSA-N 2 0 257.381 2.698 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1F ZINC000663503068 413249642 /nfs/dbraw/zinc/24/96/42/413249642.db2.gz NFZQDTRHGYZBKW-CZUORRHYSA-N 2 0 296.430 2.976 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000663502342 413251315 /nfs/dbraw/zinc/25/13/15/413251315.db2.gz GZDUMIWNORLBKL-SWLSCSKDSA-N 2 0 252.377 2.720 20 0 CFADRP CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422968648 413253407 /nfs/dbraw/zinc/25/34/07/413253407.db2.gz RRSTZGIDOHTFSC-XUWVNRHRSA-N 2 0 260.381 2.678 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCCCC1 ZINC000423142291 292249768 /nfs/dbraw/zinc/24/97/68/292249768.db2.gz UYSWXXRMWHOZLF-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000423412879 292249824 /nfs/dbraw/zinc/24/98/24/292249824.db2.gz XLDUXBABNYGRGF-AWEZNQCLSA-N 2 0 268.445 2.561 20 0 CFADRP COCC1(C[NH2+][C@H]2CCCC[C@H]2C(C)C)CC[NH2+]CC1 ZINC000423413499 292249829 /nfs/dbraw/zinc/24/98/29/292249829.db2.gz ZEVYQUCOUVOEPV-HOTGVXAUSA-N 2 0 282.472 2.807 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)C12CCCCC2 ZINC000087300448 286277338 /nfs/dbraw/zinc/27/73/38/286277338.db2.gz NMBIKGXRTSCZBH-QDIHITRGSA-N 2 0 280.456 2.974 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C1(CC)CC ZINC000423339496 286279092 /nfs/dbraw/zinc/27/90/92/286279092.db2.gz VGEGPZBXKSKDOU-HUUCEWRRSA-N 2 0 282.472 2.950 20 0 CFADRP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)C12CCCC2 ZINC000450974524 286282452 /nfs/dbraw/zinc/28/24/52/286282452.db2.gz VXYJMKQKQBHDOV-ARFHVFGLSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc([C@@H](C)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000347032526 286354170 /nfs/dbraw/zinc/35/41/70/286354170.db2.gz BMROYPKLWRNKNV-UONOGXRCSA-N 2 0 276.424 2.858 20 0 CFADRP COCCC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000234679029 292281786 /nfs/dbraw/zinc/28/17/86/292281786.db2.gz RAFSUYOJSMYEMT-GJZGRUSLSA-N 2 0 270.461 2.950 20 0 CFADRP C[C@H]1C[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)CC[N@@H+]1C ZINC000356839604 155389545 /nfs/dbraw/zinc/38/95/45/155389545.db2.gz IZJDEDKRFLSIGZ-CMPLNLGQSA-N 2 0 286.341 2.719 20 0 CFADRP COc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000423252817 286369413 /nfs/dbraw/zinc/36/94/13/286369413.db2.gz UVBFWWVIHMIEOB-KBPBESRZSA-N 2 0 262.397 2.654 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423310653 286375930 /nfs/dbraw/zinc/37/59/30/286375930.db2.gz AOKGSRBOYXGRHG-JKSUJKDBSA-N 2 0 262.397 2.719 20 0 CFADRP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C(C)C)cc1 ZINC000423310652 286375955 /nfs/dbraw/zinc/37/59/55/286375955.db2.gz AOKGSRBOYXGRHG-HZPDHXFCSA-N 2 0 262.397 2.719 20 0 CFADRP Cc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)nc1 ZINC000343157923 154128140 /nfs/dbraw/zinc/12/81/40/154128140.db2.gz HXBONXQXEMZQNV-UHFFFAOYSA-N 2 0 292.386 2.925 20 0 CFADRP CC[N@H+]1C[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000343268522 154162775 /nfs/dbraw/zinc/16/27/75/154162775.db2.gz FUZLNNUNDKUVTG-BZSNNMDCSA-N 2 0 295.515 2.673 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348065249 154303973 /nfs/dbraw/zinc/30/39/73/154303973.db2.gz BNZWTHDFCKSUPA-RBSFLKMASA-N 2 0 270.461 2.758 20 0 CFADRP CC[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000348073107 154307114 /nfs/dbraw/zinc/30/71/14/154307114.db2.gz ZIGCJXGFPLPNEC-GOEBONIOSA-N 2 0 276.424 2.905 20 0 CFADRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000348105408 154321312 /nfs/dbraw/zinc/32/13/12/154321312.db2.gz SITYQPYFYPSICL-CVEARBPZSA-N 2 0 282.472 2.902 20 0 CFADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2CC)[C@@H](C)C1 ZINC000348121954 154329269 /nfs/dbraw/zinc/32/92/69/154329269.db2.gz KAPWTXRDFLEXOG-VVLHAWIVSA-N 2 0 282.472 2.902 20 0 CFADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000348273593 154389810 /nfs/dbraw/zinc/38/98/10/154389810.db2.gz ACZDBPDPZONLPY-UQOMUDLDSA-N 2 0 295.377 2.535 20 0 CFADRP CC[NH+](CC)CCOC1CC[NH+](CCCCF)CC1 ZINC000352050490 154456406 /nfs/dbraw/zinc/45/64/06/154456406.db2.gz RDBJWNMAZBEFMF-UHFFFAOYSA-N 2 0 274.424 2.559 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000247150489 286443465 /nfs/dbraw/zinc/44/34/65/286443465.db2.gz RMPYTMSGPVLXBZ-QXSJWSMHSA-N 2 0 270.461 2.758 20 0 CFADRP COCCCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000234619539 292318014 /nfs/dbraw/zinc/31/80/14/292318014.db2.gz ZMCGLRNQYCCMPM-GJZGRUSLSA-N 2 0 256.434 2.704 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]C2CC([NH+]3CCCCC3)C2)CCO1 ZINC000355583285 155046159 /nfs/dbraw/zinc/04/61/59/155046159.db2.gz MBDMJYMHIDSTMU-VXLLPVPCSA-N 2 0 280.456 2.798 20 0 CFADRP CC[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000355669750 155061483 /nfs/dbraw/zinc/06/14/83/155061483.db2.gz HSPNYDGZESQIAR-PBHICJAKSA-N 2 0 280.456 2.798 20 0 CFADRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000357049386 155484453 /nfs/dbraw/zinc/48/44/53/155484453.db2.gz KWJMVHGUJWJPRG-OAHLLOKOSA-N 2 0 292.398 2.656 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C1CCCCC1 ZINC000660427740 413310494 /nfs/dbraw/zinc/31/04/94/413310494.db2.gz YARNLTUOWNVJJY-HOCLYGCPSA-N 2 0 270.461 2.588 20 0 CFADRP CCO[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C1(C)C ZINC000353521880 286488438 /nfs/dbraw/zinc/48/84/38/286488438.db2.gz QRFHXLLXJJZTRB-CVSAEHQPSA-N 2 0 268.445 2.652 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)C(F)(F)F ZINC000359138504 156002524 /nfs/dbraw/zinc/00/25/24/156002524.db2.gz VLNJRPAMBWLAJW-SNVBAGLBSA-N 2 0 298.312 2.864 20 0 CFADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000359201328 156020500 /nfs/dbraw/zinc/02/05/00/156020500.db2.gz ZXKBMFFMGWZIEV-CRAIPNDOSA-N 2 0 288.435 2.838 20 0 CFADRP COCCN1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000360156358 156036239 /nfs/dbraw/zinc/03/62/39/156036239.db2.gz PXRJBUBRTROUEE-ZDUSSCGKSA-N 2 0 280.412 2.658 20 0 CFADRP CC[N@H+](CCC1CC[NH+](C[C@H](C)OC)CC1)CC1CC1 ZINC000360214356 156055478 /nfs/dbraw/zinc/05/54/78/156055478.db2.gz VRXWONDQCCUNMM-HNNXBMFYSA-N 2 0 282.472 2.855 20 0 CFADRP CC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000362775851 156084058 /nfs/dbraw/zinc/08/40/58/156084058.db2.gz RRKAELVTDAFZJJ-ROUUACIJSA-N 2 0 290.451 2.744 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362913558 156113600 /nfs/dbraw/zinc/11/36/00/156113600.db2.gz NZWALRUHJHUDHL-MRXNPFEDSA-N 2 0 293.499 2.572 20 0 CFADRP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)OC ZINC000362977602 156133961 /nfs/dbraw/zinc/13/39/61/156133961.db2.gz SDCKDPNWVJJHGE-HIFRSBDPSA-N 2 0 256.434 2.510 20 0 CFADRP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OC ZINC000362977694 156134361 /nfs/dbraw/zinc/13/43/61/156134361.db2.gz TUMSJABOZOCVKJ-GCSSGZNBSA-N 2 0 268.445 2.558 20 0 CFADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC2CCCC2)CC1 ZINC000363255546 156166768 /nfs/dbraw/zinc/16/67/68/156166768.db2.gz YXDRTEJTVPLVSN-SFHVURJKSA-N 2 0 293.499 2.669 20 0 CFADRP c1noc(C2CC2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000366846678 156246156 /nfs/dbraw/zinc/24/61/56/156246156.db2.gz WUYHXDSLSLBPBN-UHFFFAOYSA-N 2 0 289.423 2.860 20 0 CFADRP FCCCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000366942814 156258917 /nfs/dbraw/zinc/25/89/17/156258917.db2.gz HOKJKTXGDGXODY-UHFFFAOYSA-N 2 0 286.435 2.561 20 0 CFADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000367202462 156297261 /nfs/dbraw/zinc/29/72/61/156297261.db2.gz ZXSPPZKGZCTKDA-KRWDZBQOSA-N 2 0 294.483 2.735 20 0 CFADRP CSCCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310165 156311823 /nfs/dbraw/zinc/31/18/23/156311823.db2.gz NLAYWMWIQHVFSH-CQSZACIVSA-N 2 0 282.497 2.936 20 0 CFADRP Cc1ccncc1CCC[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000367309638 156312049 /nfs/dbraw/zinc/31/20/49/156312049.db2.gz XQSJLWPAMROPEB-KRWDZBQOSA-N 2 0 296.418 2.568 20 0 CFADRP C[N@H+](C[C@@H]1CC=CCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367431000 156331031 /nfs/dbraw/zinc/33/10/31/156331031.db2.gz MSGBEFXGMWAMGX-MRXNPFEDSA-N 2 0 292.467 2.918 20 0 CFADRP c1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cs1 ZINC000367472093 156338066 /nfs/dbraw/zinc/33/80/66/156338066.db2.gz CJFYXKNMCDXOPP-QLFBSQMISA-N 2 0 262.422 2.664 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@H]2CCC[C@H]21 ZINC000367593193 156355535 /nfs/dbraw/zinc/35/55/35/156355535.db2.gz GLPOEVXLQSUORJ-IXDOHACOSA-N 2 0 274.408 2.528 20 0 CFADRP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367587906 156355966 /nfs/dbraw/zinc/35/59/66/156355966.db2.gz KOCPPSBZVTTZDE-KZNAEPCWSA-N 2 0 288.435 2.700 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H](C)C1 ZINC000367606033 156359959 /nfs/dbraw/zinc/35/99/59/156359959.db2.gz JGBGIGQICRYKKR-HZPDHXFCSA-N 2 0 287.451 2.823 20 0 CFADRP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000367601274 156360710 /nfs/dbraw/zinc/36/07/10/156360710.db2.gz NGMXMJRDQWWYCN-MGPQQGTHSA-N 2 0 279.453 2.722 20 0 CFADRP CC(C)OCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367614271 156361641 /nfs/dbraw/zinc/36/16/41/156361641.db2.gz GFXWMSXTVBJDGA-BZUAXINKSA-N 2 0 268.445 2.654 20 0 CFADRP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613972 156361988 /nfs/dbraw/zinc/36/19/88/156361988.db2.gz GVEWOFHMVQILEO-KZNAEPCWSA-N 2 0 288.435 2.795 20 0 CFADRP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000367619601 156364245 /nfs/dbraw/zinc/36/42/45/156364245.db2.gz XABXWSLXIIQPNC-YWWDTZIBSA-N 2 0 280.456 2.654 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Oc1ccccc1 ZINC000367616375 156364632 /nfs/dbraw/zinc/36/46/32/156364632.db2.gz OADKDPQFHNHVPD-DDBAPUKQSA-N 2 0 288.435 2.916 20 0 CFADRP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367617474 156364692 /nfs/dbraw/zinc/36/46/92/156364692.db2.gz NLBTYUGFJDJXTA-BBWFWOEESA-N 2 0 274.408 2.658 20 0 CFADRP CC(C)CCOCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367627495 156369076 /nfs/dbraw/zinc/36/90/76/156369076.db2.gz TYUGSILZVINORQ-BZUAXINKSA-N 2 0 268.445 2.512 20 0 CFADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCN(c3ccccc3)C2)C1 ZINC000657182784 413331635 /nfs/dbraw/zinc/33/16/35/413331635.db2.gz QYTFZFLWJDUAIR-IRXDYDNUSA-N 2 0 287.451 2.587 20 0 CFADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000657182644 413332978 /nfs/dbraw/zinc/33/29/78/413332978.db2.gz FZDOQDXOEWDXCN-HZPDHXFCSA-N 2 0 288.435 2.874 20 0 CFADRP FC(F)OCCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373869177 157039808 /nfs/dbraw/zinc/03/98/08/157039808.db2.gz SPTQSNVKXQWMSD-UHFFFAOYSA-N 2 0 276.371 2.612 20 0 CFADRP Cc1ccc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC000373911955 157046629 /nfs/dbraw/zinc/04/66/29/157046629.db2.gz OOFFOWXEDIIJSE-WELJNPPOSA-N 2 0 299.462 2.789 20 0 CFADRP CC1CC[NH+](CC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000373929138 157049158 /nfs/dbraw/zinc/04/91/58/157049158.db2.gz LVZFXLLLOPCSLV-QGZVFWFLSA-N 2 0 280.456 2.609 20 0 CFADRP O[C@@H](CCc1ccccc1)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374935389 157175879 /nfs/dbraw/zinc/17/58/79/157175879.db2.gz XRNIWVLQSXOMJZ-KRWDZBQOSA-N 2 0 299.418 2.583 20 0 CFADRP C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)C[NH+]1CCCCC1 ZINC000375350295 157231466 /nfs/dbraw/zinc/23/14/66/157231466.db2.gz UWMKXSFYUIVSEM-HOTGVXAUSA-N 2 0 266.429 2.506 20 0 CFADRP COCCC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375473791 157248694 /nfs/dbraw/zinc/24/86/94/157248694.db2.gz XEEHJMUYOBPRFJ-IAGOWNOFSA-N 2 0 276.424 2.696 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccs2)[C@@H]2CCC[C@@H]21 ZINC000375847372 157295727 /nfs/dbraw/zinc/29/57/27/157295727.db2.gz AOIMIZYLDCLWSN-IHRRRGAJSA-N 2 0 250.411 2.711 20 0 CFADRP c1cncc(-c2c[nH+]ccc2N2CC[NH+](C3CCC3)CC2)c1 ZINC000376219603 157335084 /nfs/dbraw/zinc/33/50/84/157335084.db2.gz GCJCWGOJTFYGQT-UHFFFAOYSA-N 2 0 294.402 2.818 20 0 CFADRP C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542305 413385259 /nfs/dbraw/zinc/38/52/59/413385259.db2.gz NBUOPEDGIKRLTA-QNGFNYMWSA-N 2 0 262.441 2.980 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422838665 286803651 /nfs/dbraw/zinc/80/36/51/286803651.db2.gz OUXILQPMHPJZSL-AWEZNQCLSA-N 3 0 267.461 2.501 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CO1 ZINC000657297019 413415709 /nfs/dbraw/zinc/41/57/09/413415709.db2.gz ZIEXSNBTOOKIFH-DLBZAZTESA-N 2 0 276.424 2.666 20 0 CFADRP C[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)[NH+](C)C ZINC000449557984 286875732 /nfs/dbraw/zinc/87/57/32/286875732.db2.gz UBEOHCXPFQFGOL-HLLBOEOZSA-N 2 0 281.488 2.569 20 0 CFADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000343992094 161908972 /nfs/dbraw/zinc/90/89/72/161908972.db2.gz RDNHJOUJMSQLKT-OAHLLOKOSA-N 2 0 291.439 2.690 20 0 CFADRP COc1cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)ccc1F ZINC000344303752 162003808 /nfs/dbraw/zinc/00/38/08/162003808.db2.gz WFBMLMBJNBEQPC-GFCCVEGCSA-N 2 0 278.371 2.747 20 0 CFADRP Cc1cccn2c(C[NH2+][C@@H](CCO)c3ccccc3)cnc12 ZINC000344437896 162044200 /nfs/dbraw/zinc/04/42/00/162044200.db2.gz IVXMKKCLUBBARS-KRWDZBQOSA-N 2 0 295.386 2.856 20 0 CFADRP CC[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000344640779 162087598 /nfs/dbraw/zinc/08/75/98/162087598.db2.gz NLWSTZXXLGOXEZ-HOTGVXAUSA-N 2 0 282.472 2.780 20 0 CFADRP C[C@@H]1C[C@@H](NCc2csc(C3CC3)n2)CC[N@@H+]1C ZINC000344677015 162094286 /nfs/dbraw/zinc/09/42/86/162094286.db2.gz KEVGIIHKZVZWMV-PWSUYJOCSA-N 2 0 265.426 2.593 20 0 CFADRP CC(C)CC[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000344741218 162113021 /nfs/dbraw/zinc/11/30/21/162113021.db2.gz HZWRFDNISZBIJY-OAHLLOKOSA-N 2 0 270.461 2.636 20 0 CFADRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000154915864 286919828 /nfs/dbraw/zinc/91/98/28/286919828.db2.gz QPKPJFCWUQLKQL-FUHWJXTLSA-N 2 0 289.467 2.672 20 0 CFADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCC1CC1 ZINC000346186215 162346689 /nfs/dbraw/zinc/34/66/89/162346689.db2.gz YFIWINKCVOMYLB-UHFFFAOYSA-N 2 0 270.380 2.808 20 0 CFADRP Fc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1F ZINC000346326241 162382625 /nfs/dbraw/zinc/38/26/25/162382625.db2.gz KFSNIEXLIGRDBB-CHWSQXEVSA-N 2 0 298.352 2.863 20 0 CFADRP [NH3+]CCCN(c1cccc(F)c1)[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000346369723 162394105 /nfs/dbraw/zinc/39/41/05/162394105.db2.gz SEZYLWDGBVTANA-NVXWUHKLSA-N 2 0 291.414 2.608 20 0 CFADRP CSC1(C[NH2+]CCCC[NH+]2CCC(C)CC2)CC1 ZINC000347929421 162802924 /nfs/dbraw/zinc/80/29/24/162802924.db2.gz WUTVMOGWWWLJKX-UHFFFAOYSA-N 2 0 270.486 2.984 20 0 CFADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(C)(C)C3CC3)C2)C1 ZINC000653695585 413451992 /nfs/dbraw/zinc/45/19/92/413451992.db2.gz WYICUVJXYIDCSO-MRXNPFEDSA-N 2 0 250.430 2.840 20 0 CFADRP CC[C@H]1CCC[C@@H]([NH2+]CCOCC[NH+](CC)CC)C1 ZINC000349668911 163000111 /nfs/dbraw/zinc/00/01/11/163000111.db2.gz RUQVCQATIDUWOT-JKSUJKDBSA-N 2 0 270.461 2.903 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CCC(OC)CC2)[C@H](C)C1 ZINC000349724444 163008911 /nfs/dbraw/zinc/00/89/11/163008911.db2.gz UJOVRVLQLDUDOS-RDHHWEPZSA-N 2 0 282.472 2.902 20 0 CFADRP Cc1ccc(F)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350152672 163063993 /nfs/dbraw/zinc/06/39/93/163063993.db2.gz ZCOALLHOYPBTOE-UHFFFAOYSA-N 2 0 264.388 2.908 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](Cc2cccnc2C)CC1 ZINC000350176866 163066478 /nfs/dbraw/zinc/06/64/78/163066478.db2.gz OYIZKXMVEOPKIN-UHFFFAOYSA-N 2 0 275.440 2.944 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000350313514 163071645 /nfs/dbraw/zinc/07/16/45/163071645.db2.gz HZODQOZGKIEHGY-UHFFFAOYSA-N 2 0 289.423 2.616 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CCN(CCc3noc4ccccc43)C2)C1 ZINC000653705198 413455171 /nfs/dbraw/zinc/45/51/71/413455171.db2.gz WIMDIPGRPDGJKJ-GOSISDBHSA-N 2 0 299.418 2.788 20 0 CFADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3c(F)cccc3Cl)C[C@@H]12 ZINC000351479877 163131722 /nfs/dbraw/zinc/13/17/22/163131722.db2.gz SPOADTMSJFBFDC-JVLSTEMRSA-N 2 0 282.790 2.691 20 0 CFADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCOCC[NH+](C)C ZINC000351505140 163135458 /nfs/dbraw/zinc/13/54/58/163135458.db2.gz ZVFDVEQCVYHTTO-HOCLYGCPSA-N 2 0 276.424 2.711 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccsc2C)C1 ZINC000351685987 163176008 /nfs/dbraw/zinc/17/60/08/163176008.db2.gz OYJZDEBGQMPJJZ-MRXNPFEDSA-N 2 0 296.480 2.989 20 0 CFADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC000351728641 163183026 /nfs/dbraw/zinc/18/30/26/163183026.db2.gz FXYAAQQHRBLZJA-OAHLLOKOSA-N 2 0 288.451 2.805 20 0 CFADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCCOC ZINC000351825510 163199008 /nfs/dbraw/zinc/19/90/08/163199008.db2.gz ICNJEKRNEFPQFY-CVEARBPZSA-N 2 0 270.461 2.903 20 0 CFADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000351853959 163203928 /nfs/dbraw/zinc/20/39/28/163203928.db2.gz PYCVAANMUFHJPT-OLZOCXBDSA-N 2 0 282.815 2.778 20 0 CFADRP CC[NH+](CC)CCC[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000351918047 163215407 /nfs/dbraw/zinc/21/54/07/163215407.db2.gz FWBHITNWBLFSSN-OAHLLOKOSA-N 2 0 270.461 2.998 20 0 CFADRP CC[N@@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000352779951 163232219 /nfs/dbraw/zinc/23/22/19/163232219.db2.gz MVTWUJPCXZQCOR-NQHOJNORSA-N 2 0 280.362 2.909 20 0 CFADRP C[C@H](CCCCO)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000352782334 163234469 /nfs/dbraw/zinc/23/44/69/163234469.db2.gz HGQSYQQYZBMXTP-CQSZACIVSA-N 2 0 268.445 2.534 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)C1 ZINC000352798606 163235933 /nfs/dbraw/zinc/23/59/33/163235933.db2.gz VESINCOVGDLVCY-FEWQNLEASA-N 2 0 268.445 2.795 20 0 CFADRP CCc1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)cn1 ZINC000352800324 163238815 /nfs/dbraw/zinc/23/88/15/163238815.db2.gz YOSRLLPIPZBBSW-UHFFFAOYSA-N 2 0 275.440 2.856 20 0 CFADRP Cc1[nH+]ccc(N2CCC(OCC[NH+](C)C)CC2)c1Cl ZINC000352828033 163245547 /nfs/dbraw/zinc/24/55/47/163245547.db2.gz MMYXLZLXHBOSFM-UHFFFAOYSA-N 2 0 297.830 2.590 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2CCCC2)C[C@@H]1C ZINC000352856210 163252801 /nfs/dbraw/zinc/25/28/01/163252801.db2.gz CNINNICPEXUFNM-BHYGNILZSA-N 2 0 282.472 2.732 20 0 CFADRP Cc1ccc(C)c(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000352927972 163272092 /nfs/dbraw/zinc/27/20/92/163272092.db2.gz BKIMLNSMMCTCIY-WBVHZDCISA-N 2 0 258.409 2.829 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000353251887 163327695 /nfs/dbraw/zinc/32/76/95/163327695.db2.gz RBLYLDCKELCCMP-HRCADAONSA-N 2 0 268.445 2.513 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCOc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353405676 163358939 /nfs/dbraw/zinc/35/89/39/163358939.db2.gz PMZCFBUJKRRPLN-OKZBNKHCSA-N 2 0 288.435 2.918 20 0 CFADRP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[NH+](C)C ZINC000353448030 163367789 /nfs/dbraw/zinc/36/77/89/163367789.db2.gz NKOBLUUGRNJGAZ-LBPRGKRZSA-N 2 0 270.367 2.827 20 0 CFADRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc(OC)c1 ZINC000353456744 163369203 /nfs/dbraw/zinc/36/92/03/163369203.db2.gz WVIITNWGEHDBNH-UHFFFAOYSA-N 2 0 292.423 2.666 20 0 CFADRP Cc1ccc(CCC[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000353458586 163370551 /nfs/dbraw/zinc/37/05/51/163370551.db2.gz KQCQWPUZXQNOKX-UHFFFAOYSA-N 2 0 289.467 2.986 20 0 CFADRP CC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC ZINC000353474198 163372383 /nfs/dbraw/zinc/37/23/83/163372383.db2.gz HKHNSLCWKLYDPN-BJWYYQGGSA-N 2 0 282.472 2.876 20 0 CFADRP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353483873 163374218 /nfs/dbraw/zinc/37/42/18/163374218.db2.gz IGNNCJPCIORLIS-HIFRSBDPSA-N 2 0 278.444 2.581 20 0 CFADRP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000353517074 163383338 /nfs/dbraw/zinc/38/33/38/163383338.db2.gz HSMNMRMKRZPBGH-ILXRZTDVSA-N 2 0 296.455 2.571 20 0 CFADRP C[C@@H](Cc1ccoc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353526447 163386300 /nfs/dbraw/zinc/38/63/00/163386300.db2.gz AQLBEZOCUZNPLK-GRTSSRMGSA-N 2 0 250.386 2.673 20 0 CFADRP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000353542329 163389161 /nfs/dbraw/zinc/38/91/61/163389161.db2.gz WALFGRLKHVWURC-HOCLYGCPSA-N 2 0 287.451 2.740 20 0 CFADRP Cc1ccc(CC[NH2+]Cc2cnc3n2CCC3)c(C)c1 ZINC000657331590 413458027 /nfs/dbraw/zinc/45/80/27/413458027.db2.gz IBIBARLHKMYGJL-UHFFFAOYSA-N 2 0 269.392 2.778 20 0 CFADRP C[NH+](C)CCCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657334755 413459944 /nfs/dbraw/zinc/45/99/44/413459944.db2.gz GLBQICUTEURCMH-UHFFFAOYSA-N 2 0 290.329 2.859 20 0 CFADRP Cc1cc(CO)cc(N[C@@H](CC(C)C)C[NH+]2CCCC2)n1 ZINC000663949523 413462310 /nfs/dbraw/zinc/46/23/10/413462310.db2.gz RZVZBXAQVWPRNK-INIZCTEOSA-N 2 0 291.439 2.805 20 0 CFADRP C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000335008174 287012582 /nfs/dbraw/zinc/01/25/82/287012582.db2.gz HQKVRHFLLMHEOF-GDBMZVCRSA-N 2 0 280.456 2.846 20 0 CFADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037713431 287023861 /nfs/dbraw/zinc/02/38/61/287023861.db2.gz SSTKDQRBENJPHS-SECBINFHSA-N 2 0 262.275 2.585 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ncc(-c2ccccc2)n1C ZINC000423253815 287030139 /nfs/dbraw/zinc/03/01/39/287030139.db2.gz WKVIKKXHCBILBG-HUUCEWRRSA-N 2 0 298.434 2.737 20 0 CFADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC000660653720 413469471 /nfs/dbraw/zinc/46/94/71/413469471.db2.gz VIHVFRASGMCKQP-INIZCTEOSA-N 2 0 250.430 2.984 20 0 CFADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC1CCCC1)C2 ZINC000660658162 413470235 /nfs/dbraw/zinc/47/02/35/413470235.db2.gz DBRBJEWLHIHXHJ-MRXNPFEDSA-N 2 0 250.430 2.984 20 0 CFADRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CCSCC1 ZINC000187279665 287058469 /nfs/dbraw/zinc/05/84/69/287058469.db2.gz BNHSDXZDLAFJNM-YUELXQCFSA-N 2 0 270.486 2.981 20 0 CFADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000020128390 171015233 /nfs/dbraw/zinc/01/52/33/171015233.db2.gz JMSKFUSWRSTFQN-CQSZACIVSA-N 2 0 295.858 2.628 20 0 CFADRP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1OC ZINC000020129127 171017564 /nfs/dbraw/zinc/01/75/64/171017564.db2.gz IKMLAYJDBYBBEE-CQSZACIVSA-N 2 0 292.423 2.840 20 0 CFADRP CC1CC[NH+](CCC[NH2+]Cc2ccc(O)cc2)CC1 ZINC000020146208 171032412 /nfs/dbraw/zinc/03/24/12/171032412.db2.gz CYXJNVRDWAHSJL-UHFFFAOYSA-N 2 0 262.397 2.604 20 0 CFADRP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000020523949 171236629 /nfs/dbraw/zinc/23/66/29/171236629.db2.gz MTAOWYJEONELPG-HQSKLWIPSA-N 2 0 287.451 2.504 20 0 CFADRP Cn1cncc1CCC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000653766619 413488484 /nfs/dbraw/zinc/48/84/84/413488484.db2.gz MBMQMKRJEZCQAK-OAHLLOKOSA-N 2 0 279.453 2.570 20 0 CFADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662359 413477033 /nfs/dbraw/zinc/47/70/33/413477033.db2.gz IWHYANGLVXUUEY-QZTJIDSGSA-N 2 0 293.499 2.667 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000660662030 413479487 /nfs/dbraw/zinc/47/94/87/413479487.db2.gz QQXFXXKHLYASRU-MSOLQXFVSA-N 2 0 294.483 2.999 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000657349581 413483735 /nfs/dbraw/zinc/48/37/35/413483735.db2.gz RWDPGQNILVMKOC-ZACQAIPSSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660671055 413488029 /nfs/dbraw/zinc/48/80/29/413488029.db2.gz LIXBPRSVMPGTAQ-JKSUJKDBSA-N 2 0 270.461 2.588 20 0 CFADRP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nn2c1CCC2 ZINC000657358852 413495812 /nfs/dbraw/zinc/49/58/12/413495812.db2.gz NINBPPPCALZOBC-UHFFFAOYSA-N 2 0 290.455 2.575 20 0 CFADRP C[N@H+](CCCCNc1[nH+]ccc2[nH]ccc21)C1CC1 ZINC000663992449 413496174 /nfs/dbraw/zinc/49/61/74/413496174.db2.gz CFJGXOVIVDTJHI-UHFFFAOYSA-N 2 0 258.369 2.849 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000651484434 413496763 /nfs/dbraw/zinc/49/67/63/413496763.db2.gz AVRVYLMEGWLHDP-KGLIPLIRSA-N 2 0 268.445 2.512 20 0 CFADRP CCC(C)(C)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000653810781 413511655 /nfs/dbraw/zinc/51/16/55/413511655.db2.gz QLIHMBNRJUENKU-UHFFFAOYSA-N 2 0 281.488 2.669 20 0 CFADRP C[N@@H+](Cc1cccc2c1CCC2)CC1CC[NH+](C)CC1 ZINC000651632575 413536764 /nfs/dbraw/zinc/53/67/64/413536764.db2.gz QKGDFVHXVCSENF-UHFFFAOYSA-N 2 0 272.436 2.949 20 0 CFADRP CC[C@@H]1CCC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000657387583 413540480 /nfs/dbraw/zinc/54/04/80/413540480.db2.gz XINBDONUXBTBME-SJORKVTESA-N 2 0 295.515 2.961 20 0 CFADRP C[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000651674943 413559681 /nfs/dbraw/zinc/55/96/81/413559681.db2.gz GBRXBZNFIMKTNN-NVXWUHKLSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H](CCc1ccco1)[NH2+]CCC[NH+]1CCCC1 ZINC000035451607 172205113 /nfs/dbraw/zinc/20/51/13/172205113.db2.gz KDLOURUXBQQNSX-AWEZNQCLSA-N 2 0 250.386 2.676 20 0 CFADRP c1cc2c(c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c1)CCC2 ZINC000651680380 413564207 /nfs/dbraw/zinc/56/42/07/413564207.db2.gz ITGAFPLPYKKQKZ-SJORKVTESA-N 2 0 270.420 2.892 20 0 CFADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[C@@]2(C)CC)CC1 ZINC000651677812 413565107 /nfs/dbraw/zinc/56/51/07/413565107.db2.gz VPLNQOZNKZZBMY-IXDOHACOSA-N 2 0 281.488 2.571 20 0 CFADRP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000248829437 287267166 /nfs/dbraw/zinc/26/71/66/287267166.db2.gz DUQLGPHUOYAEGN-OAGGEKHMSA-N 2 0 268.445 2.656 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCOC1(C)C ZINC000340183462 287267177 /nfs/dbraw/zinc/26/71/77/287267177.db2.gz DHICMYIIEMVRIE-CABCVRRESA-N 2 0 268.445 2.798 20 0 CFADRP C[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000651705959 413580585 /nfs/dbraw/zinc/58/05/85/413580585.db2.gz NVDSXQAMTOJURR-FUHWJXTLSA-N 2 0 295.515 2.818 20 0 CFADRP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422774219 287268228 /nfs/dbraw/zinc/26/82/28/287268228.db2.gz WDSGXDHLODXXSC-OWCLPIDISA-N 2 0 267.461 2.501 20 0 CFADRP CC1(C)CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657423878 413585871 /nfs/dbraw/zinc/58/58/71/413585871.db2.gz OHWCLOCUQYMYDP-ZDUSSCGKSA-N 2 0 270.380 2.936 20 0 CFADRP Cc1ccsc1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657425980 413586187 /nfs/dbraw/zinc/58/61/87/413586187.db2.gz TWWXBWXYKRYHGH-UHFFFAOYSA-N 2 0 298.415 2.970 20 0 CFADRP CC[C@]1(C)CCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000651713886 413586652 /nfs/dbraw/zinc/58/66/52/413586652.db2.gz IPDOZZMZCNTORJ-GVDBMIGSSA-N 2 0 282.472 2.782 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](COC)CC(C)(C)C)[C@H](C)C1 ZINC000651721745 413590247 /nfs/dbraw/zinc/59/02/47/413590247.db2.gz PEHIMYFLNPILTO-KFWWJZLASA-N 2 0 270.461 2.758 20 0 CFADRP Cc1[nH+]ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1Cl ZINC000664143357 413597900 /nfs/dbraw/zinc/59/79/00/413597900.db2.gz WKYDWCOCJJQYDL-NSHDSACASA-N 2 0 267.804 2.750 20 0 CFADRP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCC3)C1(C)C ZINC000657435801 413603310 /nfs/dbraw/zinc/60/33/10/413603310.db2.gz KQTRUVMOAPVVPT-KGLIPLIRSA-N 2 0 277.412 2.511 20 0 CFADRP c1cc(C[NH2+]CC2(C3CC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657414769 413574825 /nfs/dbraw/zinc/57/48/25/413574825.db2.gz BQJUIDSGRZLLOM-UHFFFAOYSA-N 2 0 268.364 2.547 20 0 CFADRP Cc1c[nH]c(CNc2cc(C)cc(C[NH+](C)C)c2)n1 ZINC000657418955 413578044 /nfs/dbraw/zinc/57/80/44/413578044.db2.gz HMQMLZFJNLDIKN-UHFFFAOYSA-N 2 0 258.369 2.700 20 0 CFADRP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000657452773 413626276 /nfs/dbraw/zinc/62/62/76/413626276.db2.gz JPMTYQLFRPYGKN-OKZBNKHCSA-N 2 0 288.435 2.666 20 0 CFADRP C(C[NH+]1C[C@@H]2CCCC[C@@H]21)OCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933418 413675074 /nfs/dbraw/zinc/67/50/74/413675074.db2.gz QAPZSXIUHACLQQ-XSLAGTTESA-N 2 0 292.467 2.752 20 0 CFADRP CCOc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000657471778 413650898 /nfs/dbraw/zinc/65/08/98/413650898.db2.gz HUVYJPBYMDFKSA-CYBMUJFWSA-N 2 0 264.413 2.681 20 0 CFADRP CN(CCC[NH+](C)C)CCNc1ccnc2ccsc21 ZINC000664247699 413651173 /nfs/dbraw/zinc/65/11/73/413651173.db2.gz FAERZFPSWVQUPS-UHFFFAOYSA-N 3 0 292.452 2.592 20 0 CFADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651750362 413613503 /nfs/dbraw/zinc/61/35/03/413613503.db2.gz FKLCOVXNMUFIIQ-DLBZAZTESA-N 2 0 281.488 2.572 20 0 CFADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000651753596 413614602 /nfs/dbraw/zinc/61/46/02/413614602.db2.gz YBCCWTDKSYMZEQ-OAGGEKHMSA-N 2 0 270.461 2.902 20 0 CFADRP C[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000651753012 413616264 /nfs/dbraw/zinc/61/62/64/413616264.db2.gz AVPIRPFKPIOBKK-WBVHZDCISA-N 2 0 281.488 2.571 20 0 CFADRP COCc1csc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000657491396 413682001 /nfs/dbraw/zinc/68/20/01/413682001.db2.gz FBUKJXNAOAFSMB-ZDUSSCGKSA-N 2 0 282.453 2.716 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000651864769 413684077 /nfs/dbraw/zinc/68/40/77/413684077.db2.gz DEVZGZRGQGGVQF-INIZCTEOSA-N 2 0 282.472 2.903 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000651865121 413684255 /nfs/dbraw/zinc/68/42/55/413684255.db2.gz ODTRPISQPJWJEA-HNNXBMFYSA-N 2 0 268.445 2.656 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)Cc1ccoc1 ZINC000651865249 413685237 /nfs/dbraw/zinc/68/52/37/413685237.db2.gz RSHKUWDVWYZTPI-CQSZACIVSA-N 2 0 252.402 2.778 20 0 CFADRP COc1cccc(C[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)n1 ZINC000651865624 413686447 /nfs/dbraw/zinc/68/64/47/413686447.db2.gz BAMSKWUGZLEAHV-HNNXBMFYSA-N 2 0 293.455 2.589 20 0 CFADRP CCC1(C[NH2+]CCC[N@H+](C)CC(C)C)CCOCC1 ZINC000651866088 413687426 /nfs/dbraw/zinc/68/74/26/413687426.db2.gz UKMHNMJFPFADDP-UHFFFAOYSA-N 2 0 270.461 2.761 20 0 CFADRP CC(C)(C)N1CC[C@H]1C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000657524790 413704124 /nfs/dbraw/zinc/70/41/24/413704124.db2.gz LRYVKWWWJCUQPK-RDJZCZTQSA-N 2 0 287.451 2.728 20 0 CFADRP COc1ccsc1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000657525209 413704271 /nfs/dbraw/zinc/70/42/71/413704271.db2.gz PJSQPALVIHYPNG-NSHDSACASA-N 2 0 268.426 2.719 20 0 CFADRP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000657536983 413721130 /nfs/dbraw/zinc/72/11/30/413721130.db2.gz WZAAHUNIKVNHBW-UHFFFAOYSA-N 2 0 294.464 2.729 20 0 CFADRP CCOCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285460285 196291642 /nfs/dbraw/zinc/29/16/42/196291642.db2.gz GTQMSJNFWGFNKY-SFHVURJKSA-N 2 0 288.435 2.621 20 0 CFADRP CC(C)(C)OCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657639176 413812895 /nfs/dbraw/zinc/81/28/95/413812895.db2.gz VWMUXAWJVKUDCG-UHFFFAOYSA-N 2 0 288.395 2.562 20 0 CFADRP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657574174 413761386 /nfs/dbraw/zinc/76/13/86/413761386.db2.gz FMTQLELDIVYVKK-HUUCEWRRSA-N 2 0 282.472 2.780 20 0 CFADRP c1ccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccnc2c1 ZINC000657590396 413777835 /nfs/dbraw/zinc/77/78/35/413777835.db2.gz VSXIXROZOLZJIW-IAGOWNOFSA-N 2 0 295.430 2.994 20 0 CFADRP CC(C)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595774 413779710 /nfs/dbraw/zinc/77/97/10/413779710.db2.gz SCIOGHWCDBIOSX-YJBOKZPZSA-N 2 0 290.451 2.777 20 0 CFADRP CC(C)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595768 413780037 /nfs/dbraw/zinc/78/00/37/413780037.db2.gz SCIOGHWCDBIOSX-MAUKXSAKSA-N 2 0 290.451 2.777 20 0 CFADRP CC(C)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595766 413780187 /nfs/dbraw/zinc/78/01/87/413780187.db2.gz SCIOGHWCDBIOSX-CRAIPNDOSA-N 2 0 290.451 2.777 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000652222312 413834769 /nfs/dbraw/zinc/83/47/69/413834769.db2.gz KIQLFHNLTUVLRC-KRWDZBQOSA-N 2 0 289.467 2.897 20 0 CFADRP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[C@H](C)O3)cnc12 ZINC000657668854 413839263 /nfs/dbraw/zinc/83/92/63/413839263.db2.gz WOOZJIFPVTWXNU-ZFWWWQNUSA-N 2 0 273.380 2.690 20 0 CFADRP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[C@@H](C)O3)cnc12 ZINC000657668852 413840570 /nfs/dbraw/zinc/84/05/70/413840570.db2.gz WOOZJIFPVTWXNU-HIFRSBDPSA-N 2 0 273.380 2.690 20 0 CFADRP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000657803136 413953423 /nfs/dbraw/zinc/95/34/23/413953423.db2.gz IEZMPGNGCQOVOD-JKSUJKDBSA-N 2 0 274.408 2.720 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000657782577 413928520 /nfs/dbraw/zinc/92/85/20/413928520.db2.gz NZZKFJHSEULDPH-IXDOHACOSA-N 2 0 280.456 2.798 20 0 CFADRP OC1CCC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000657739932 413894354 /nfs/dbraw/zinc/89/43/54/413894354.db2.gz CAPCYADBUYBDDU-UHFFFAOYSA-N 2 0 294.483 2.924 20 0 CFADRP COc1ccccc1CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352694 413900055 /nfs/dbraw/zinc/90/00/55/413900055.db2.gz NXMGBHLMCHRSQY-WMZOPIPTSA-N 2 0 288.435 2.689 20 0 CFADRP Clc1cnccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664679517 413900134 /nfs/dbraw/zinc/90/01/34/413900134.db2.gz SABFHRHJDVRKFU-ZDUSSCGKSA-N 2 0 279.815 2.691 20 0 CFADRP CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361054 413903650 /nfs/dbraw/zinc/90/36/50/413903650.db2.gz XBDMIQJMESTJOQ-ZNMIVQPWSA-N 2 0 254.418 2.537 20 0 CFADRP CCC1(C[NH2+]CC2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000657813318 413960525 /nfs/dbraw/zinc/96/05/25/413960525.db2.gz OCWJSBLBORBDCT-UHFFFAOYSA-N 2 0 294.483 2.905 20 0 CFADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)C1 ZINC000657875386 414019113 /nfs/dbraw/zinc/01/91/13/414019113.db2.gz DHXNAOBKJQYGMD-XGUBFFRZSA-N 2 0 250.430 2.743 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824838 413964083 /nfs/dbraw/zinc/96/40/83/413964083.db2.gz ZBKZQDGWRSGMMR-CVEARBPZSA-N 2 0 273.424 2.949 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657817395 413966868 /nfs/dbraw/zinc/96/68/68/413966868.db2.gz RSRCBDCKZWRUHP-GJZGRUSLSA-N 2 0 278.444 2.818 20 0 CFADRP C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cnccc2o1 ZINC000657834529 413987351 /nfs/dbraw/zinc/98/73/51/413987351.db2.gz KUKVSCPBYBWBOQ-STQMWFEESA-N 2 0 285.391 2.963 20 0 CFADRP COC1([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)CCC1 ZINC000657835740 413988688 /nfs/dbraw/zinc/98/86/88/413988688.db2.gz OAPHVBQSCFOFAJ-KKUMJFAQSA-N 2 0 268.445 2.797 20 0 CFADRP CC1(C)[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@@H]2CCC[C@@H]21 ZINC000657879137 414020112 /nfs/dbraw/zinc/02/01/12/414020112.db2.gz KGOXJFKZQHTBLB-VVLHAWIVSA-N 2 0 294.483 2.638 20 0 CFADRP CC(C)[NH+](CCC[NH2+][C@H]1COC2(CCC2)C1)C(C)C ZINC000657898296 414036929 /nfs/dbraw/zinc/03/69/29/414036929.db2.gz BVYKYMZXEZXLHP-OAHLLOKOSA-N 2 0 268.445 2.797 20 0 CFADRP C[C@H]([NH2+]Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000037209998 173031231 /nfs/dbraw/zinc/03/12/31/173031231.db2.gz NJLOUACBYTUNQQ-LBPRGKRZSA-N 2 0 250.361 2.646 20 0 CFADRP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH3+])CC1 ZINC000037326568 173127456 /nfs/dbraw/zinc/12/74/56/173127456.db2.gz PJFCVZSOCXOMLH-SNVBAGLBSA-N 2 0 270.323 2.772 20 0 CFADRP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([NH3+])CC1 ZINC000037326567 173127578 /nfs/dbraw/zinc/12/75/78/173127578.db2.gz PJFCVZSOCXOMLH-JTQLQIEISA-N 2 0 270.323 2.772 20 0 CFADRP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000037408414 173184907 /nfs/dbraw/zinc/18/49/07/173184907.db2.gz VCHCVOAXNWNJMT-YOEHRIQHSA-N 2 0 270.420 2.618 20 0 CFADRP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000037408351 173185134 /nfs/dbraw/zinc/18/51/34/173185134.db2.gz NNBMHGGIEXIBBU-GFCCVEGCSA-N 2 0 250.411 2.630 20 0 CFADRP CCC[N@H+](CCOc1ccccc1)C1CC[NH2+]CC1 ZINC000037539184 173260493 /nfs/dbraw/zinc/26/04/93/173260493.db2.gz WNMSRJAKLLXZOM-UHFFFAOYSA-N 2 0 262.397 2.529 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@@H]1C ZINC000658070802 414153195 /nfs/dbraw/zinc/15/31/95/414153195.db2.gz RBXHVFPZUQRVMA-CKEIUWERSA-N 2 0 280.456 2.512 20 0 CFADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccn1 ZINC000658067052 414154062 /nfs/dbraw/zinc/15/40/62/414154062.db2.gz RODKIGOXPNGTEQ-WTTBNOFXSA-N 2 0 273.424 2.648 20 0 CFADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000665265129 414220835 /nfs/dbraw/zinc/22/08/35/414220835.db2.gz QFESLLZHRQGDDR-LLVKDONJSA-N 2 0 291.222 2.837 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1(F)F ZINC000665266953 414225305 /nfs/dbraw/zinc/22/53/05/414225305.db2.gz MIXBJQMZWMIZLB-WUHRBBMRSA-N 2 0 258.356 2.542 20 0 CFADRP C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH+]ccc1N ZINC000665267299 414227480 /nfs/dbraw/zinc/22/74/80/414227480.db2.gz UFXCOKPNXRLAQL-KBPBESRZSA-N 2 0 288.439 2.552 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000665267461 414227845 /nfs/dbraw/zinc/22/78/45/414227845.db2.gz XAEHMORPPRRMKH-HUUCEWRRSA-N 2 0 267.461 2.501 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665267511 414228074 /nfs/dbraw/zinc/22/80/74/414228074.db2.gz YGEPJMJMVIKKBN-HZMBPMFUSA-N 2 0 283.366 2.935 20 0 CFADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)C(C)(C)c1ccccc1 ZINC000665277937 414239578 /nfs/dbraw/zinc/23/95/78/414239578.db2.gz PWUUAXYNSRSVHN-TUBUQKNSSA-N 2 0 258.409 2.694 20 0 CFADRP CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1(F)F ZINC000665274519 414232212 /nfs/dbraw/zinc/23/22/12/414232212.db2.gz SAHRJWFFLFKLOH-RVMXOQNASA-N 2 0 272.383 2.788 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000665274230 414232508 /nfs/dbraw/zinc/23/25/08/414232508.db2.gz MBQJXHXWZQFBLU-NELGMTEASA-N 2 0 272.383 2.932 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCCC1 ZINC000665275137 414234270 /nfs/dbraw/zinc/23/42/70/414234270.db2.gz CSRSCPKRLKKFST-GVDBMIGSSA-N 2 0 274.408 2.926 20 0 CFADRP c1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)nsc2c1 ZINC000665276501 414234658 /nfs/dbraw/zinc/23/46/58/414234658.db2.gz DZAQBWNQQXOUPD-FUNVUKJBSA-N 2 0 287.432 2.711 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000665228770 414188538 /nfs/dbraw/zinc/18/85/38/414188538.db2.gz GZJGMLKZDRFDII-ZDUSSCGKSA-N 2 0 291.222 2.837 20 0 CFADRP COC1CC(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000665230194 414189612 /nfs/dbraw/zinc/18/96/12/414189612.db2.gz LBYFFGLJVGQKMQ-INCPQMAJSA-N 2 0 260.381 2.536 20 0 CFADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000665232063 414194938 /nfs/dbraw/zinc/19/49/38/414194938.db2.gz FENDRGROPKKIBY-CHWSQXEVSA-N 2 0 284.407 2.698 20 0 CFADRP CC[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665236030 414195067 /nfs/dbraw/zinc/19/50/67/414195067.db2.gz FVEBUICWHYTOKR-KBRIMQKVSA-N 2 0 274.408 2.926 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665239362 414196656 /nfs/dbraw/zinc/19/66/56/414196656.db2.gz RYBBQSMMERHDDJ-DOTOQJQBSA-N 2 0 275.440 2.833 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665238508 414196691 /nfs/dbraw/zinc/19/66/91/414196691.db2.gz ZUJYCRFXAOQKBT-UMNHJUIQSA-N 2 0 282.350 2.592 20 0 CFADRP Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665238712 414198671 /nfs/dbraw/zinc/19/86/71/414198671.db2.gz AZNWFXXIDZMRIM-RCCFBDPRSA-N 2 0 287.451 2.833 20 0 CFADRP Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000665246060 414206969 /nfs/dbraw/zinc/20/69/69/414206969.db2.gz YAHQOLOZQOYYBX-GVDBMIGSSA-N 2 0 258.409 2.781 20 0 CFADRP COc1cccc2c1CCC[C@H]2[NH2+]CC1([NH3+])CCCC1 ZINC000665247007 414207036 /nfs/dbraw/zinc/20/70/36/414207036.db2.gz TTZGFEVUTDWDNO-OAHLLOKOSA-N 2 0 274.408 2.934 20 0 CFADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000658106859 414207319 /nfs/dbraw/zinc/20/73/19/414207319.db2.gz GDIVXMNTVABCSR-CGTJXYLNSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCC2)c1 ZINC000665249643 414208888 /nfs/dbraw/zinc/20/88/88/414208888.db2.gz VPXMBJRJPBTTRW-AWEZNQCLSA-N 2 0 289.423 2.573 20 0 CFADRP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(-n2cccn2)cc1 ZINC000665248823 414211583 /nfs/dbraw/zinc/21/15/83/414211583.db2.gz DANXDYQWVQHHKF-CQSZACIVSA-N 2 0 284.407 2.794 20 0 CFADRP COCc1csc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000665263011 414216389 /nfs/dbraw/zinc/21/63/89/414216389.db2.gz DQSGKMTVAKDFJM-LLVKDONJSA-N 2 0 256.415 2.502 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)COc1c(F)cccc1F ZINC000665262131 414217247 /nfs/dbraw/zinc/21/72/47/414217247.db2.gz UWNPABMIAOZRLG-NEPJUHHUSA-N 2 0 286.366 2.839 20 0 CFADRP CC1CC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257660 414217553 /nfs/dbraw/zinc/21/75/53/414217553.db2.gz PMPFQQWNDXWUQI-XZQMRNSJSA-N 2 0 262.372 2.659 20 0 CFADRP COc1cccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000665280372 414241829 /nfs/dbraw/zinc/24/18/29/414241829.db2.gz ZWUKRFFQCVQXMO-SWLSCSKDSA-N 2 0 250.386 2.719 20 0 CFADRP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]1c1ccccc1 ZINC000665279939 414241999 /nfs/dbraw/zinc/24/19/99/414241999.db2.gz PPGLTFXRGUBMOL-QZMAWRQGSA-N 2 0 256.393 2.520 20 0 CFADRP CCCCO[C@H]1C[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000665280561 414242572 /nfs/dbraw/zinc/24/25/72/414242572.db2.gz GKFIVMUAFFOQMO-ILXRZTDVSA-N 2 0 270.461 2.933 20 0 CFADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000665279446 414243797 /nfs/dbraw/zinc/24/37/97/414243797.db2.gz CNHKIIBMLJEEBY-QMTHXVAHSA-N 2 0 256.340 2.989 20 0 CFADRP COc1cccc(C2([NH2+][C@H](C)C[C@H](C)[NH3+])CCC2)c1 ZINC000665283351 414247207 /nfs/dbraw/zinc/24/72/07/414247207.db2.gz MIVAZQXAGOEOKR-QWHCGFSZSA-N 2 0 262.397 2.790 20 0 CFADRP COc1ccsc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665281554 414247840 /nfs/dbraw/zinc/24/78/40/414247840.db2.gz GQVLPWNHAYFQEF-WDEREUQCSA-N 2 0 256.415 2.781 20 0 CFADRP COc1cccc(C2([NH2+][C@H]3CCC[C@H]([NH3+])C3)CCC2)c1 ZINC000665283234 414249467 /nfs/dbraw/zinc/24/94/67/414249467.db2.gz JRDVBNUHSPIEAM-GJZGRUSLSA-N 2 0 274.408 2.934 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2ccc(C)c(C)c2)CC1 ZINC000658176701 414266517 /nfs/dbraw/zinc/26/65/17/414266517.db2.gz JMJWYZZECSVACE-UHFFFAOYSA-N 2 0 260.425 2.920 20 0 CFADRP CC[C@@H]1CC[C@@H](C)[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000661860208 414267844 /nfs/dbraw/zinc/26/78/44/414267844.db2.gz VXCTXSPDWITZNQ-QZTJIDSGSA-N 2 0 295.515 2.913 20 0 CFADRP CC[NH+](CC)CCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661864196 414271477 /nfs/dbraw/zinc/27/14/77/414271477.db2.gz AFVSNCUVWTWYIN-QGZVFWFLSA-N 2 0 282.472 2.999 20 0 CFADRP [NH3+]CC1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000665299879 414273682 /nfs/dbraw/zinc/27/36/82/414273682.db2.gz UWNSUDCQWDQUOX-UHFFFAOYSA-N 2 0 287.329 2.708 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@@H](C)C1 ZINC000658192181 414274530 /nfs/dbraw/zinc/27/45/30/414274530.db2.gz AGSGBKMQKFQNFX-LSDHHAIUSA-N 2 0 288.451 2.851 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@@H](C)C1 ZINC000658191917 414274835 /nfs/dbraw/zinc/27/48/35/414274835.db2.gz IUGVBVOURCBOFM-LAQRGFTBSA-N 2 0 288.435 2.916 20 0 CFADRP C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)C1CC[NH+](C)CC1 ZINC000658204859 414277094 /nfs/dbraw/zinc/27/70/94/414277094.db2.gz CLCCHNSYGMCVRR-QCEMKRCNSA-N 2 0 250.430 2.743 20 0 CFADRP CC[NH+]1CCC([NH2+]CCc2cn(C)c3ccccc23)CC1 ZINC000658212310 414286934 /nfs/dbraw/zinc/28/69/34/414286934.db2.gz GORVOHQCBNXDGZ-UHFFFAOYSA-N 2 0 285.435 2.795 20 0 CFADRP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000658226532 414300839 /nfs/dbraw/zinc/30/08/39/414300839.db2.gz JGZFYWKZRYQKAY-QGZVFWFLSA-N 2 0 293.499 2.857 20 0 CFADRP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)C(C)(C)c1ccccc1 ZINC000665277936 414240077 /nfs/dbraw/zinc/24/00/77/414240077.db2.gz PWUUAXYNSRSVHN-CBCUQQMYSA-N 2 0 258.409 2.694 20 0 CFADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655680681 414356775 /nfs/dbraw/zinc/35/67/75/414356775.db2.gz QNXNOSYHGQBHSB-HUUCEWRRSA-N 2 0 278.444 2.818 20 0 CFADRP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655683872 414358320 /nfs/dbraw/zinc/35/83/20/414358320.db2.gz WYPORXVWVGUYTD-JSGCOSHPSA-N 2 0 256.459 2.735 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000658328934 414378304 /nfs/dbraw/zinc/37/83/04/414378304.db2.gz IFXRCFAWCNCOMG-VNQPRFMTSA-N 2 0 268.445 2.654 20 0 CFADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000658329915 414378931 /nfs/dbraw/zinc/37/89/31/414378931.db2.gz GMESGCCDVDKGDU-CYBMUJFWSA-N 2 0 268.445 2.654 20 0 CFADRP CCC[C@@H](C)[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000658344016 414389484 /nfs/dbraw/zinc/38/94/84/414389484.db2.gz NJNPJQGKZRJZIM-AEFFLSMTSA-N 2 0 289.467 2.581 20 0 CFADRP C[C@H]1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)CS1 ZINC000655774918 414424335 /nfs/dbraw/zinc/42/43/35/414424335.db2.gz MADDLHVYGQYNHT-STQMWFEESA-N 2 0 256.459 2.735 20 0 CFADRP C[C@@H]1CCC[C@@H](CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000662156503 414434074 /nfs/dbraw/zinc/43/40/74/414434074.db2.gz MNBTYVUVIJKZHV-RYRKJORJSA-N 2 0 294.483 2.734 20 0 CFADRP C1CC1[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000655788855 414434551 /nfs/dbraw/zinc/43/45/51/414434551.db2.gz QDPWAJGMDHNCAG-YLFCFFPRSA-N 2 0 278.440 2.551 20 0 CFADRP C(C1CC1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000655788653 414434636 /nfs/dbraw/zinc/43/46/36/414434636.db2.gz MGLRHHVYZJMMOW-ROUUACIJSA-N 2 0 292.467 2.798 20 0 CFADRP CC(C)C[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655792504 414438012 /nfs/dbraw/zinc/43/80/12/414438012.db2.gz JUDFFUXHALDURJ-ZIAGYGMSSA-N 2 0 258.475 2.838 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(F)cn1 ZINC000655804972 414448685 /nfs/dbraw/zinc/44/86/85/414448685.db2.gz HHGFQGUUFDRWMY-KWCYVHTRSA-N 2 0 265.376 2.602 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000655804376 414448965 /nfs/dbraw/zinc/44/89/65/414448965.db2.gz WVUMUPBYIXQOES-MCIONIFRSA-N 2 0 283.419 2.565 20 0 CFADRP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cnn1C(C)C ZINC000655803646 414449640 /nfs/dbraw/zinc/44/96/40/414449640.db2.gz BEUAJYVBAYJYMK-YUELXQCFSA-N 2 0 278.444 2.763 20 0 CFADRP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)C1(C)C ZINC000655805158 414450677 /nfs/dbraw/zinc/45/06/77/414450677.db2.gz JQLYCBOOFLWYEQ-LXTVHRRPSA-N 2 0 268.445 2.508 20 0 CFADRP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C)c1 ZINC000655806525 414450689 /nfs/dbraw/zinc/45/06/89/414450689.db2.gz BEDIXFUCFCQECX-JQHSSLGASA-N 2 0 287.451 2.703 20 0 CFADRP CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000655805170 414451122 /nfs/dbraw/zinc/45/11/22/414451122.db2.gz JUGNONJMSMFPRP-ZNMIVQPWSA-N 2 0 261.413 2.853 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC000655806228 414451426 /nfs/dbraw/zinc/45/14/26/414451426.db2.gz RVPARJGOHKYQFH-LYRGGWFBSA-N 2 0 278.827 2.737 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000655823908 414459769 /nfs/dbraw/zinc/45/97/69/414459769.db2.gz CDALYDNIIPRIRT-WOVMCDHWSA-N 2 0 299.418 2.695 20 0 CFADRP CCCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655826448 414462308 /nfs/dbraw/zinc/46/23/08/414462308.db2.gz WFWSVGZUIOWEBQ-IYBDPMFKSA-N 2 0 276.424 2.905 20 0 CFADRP CCc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655827003 414464368 /nfs/dbraw/zinc/46/43/68/414464368.db2.gz MGJGQDDEFTZRRE-TXEJJXNPSA-N 2 0 252.427 2.740 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000655827266 414464926 /nfs/dbraw/zinc/46/49/26/414464926.db2.gz PITCVYTZOFYOGT-TXEJJXNPSA-N 2 0 281.469 2.870 20 0 CFADRP C[N@H+](C[C@H]1CCc2ccccc21)CC1CC[NH2+]CC1 ZINC000662229016 414465877 /nfs/dbraw/zinc/46/58/77/414465877.db2.gz FDXBTFDIPPDWPF-MRXNPFEDSA-N 2 0 258.409 2.648 20 0 CFADRP C[N@H+](CCSc1ccc(F)cc1F)CC(C)(C)C[NH3+] ZINC000662247598 414473913 /nfs/dbraw/zinc/47/39/13/414473913.db2.gz GOLKZKXDBJJUPR-UHFFFAOYSA-N 2 0 288.407 2.974 20 0 CFADRP CC[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCOCC1 ZINC000658356745 414399655 /nfs/dbraw/zinc/39/96/55/414399655.db2.gz OYXVAOGVTQXEPT-SFHVURJKSA-N 2 0 294.483 2.903 20 0 CFADRP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC[NH+](CC2CC2)CC1 ZINC000658354209 414399937 /nfs/dbraw/zinc/39/99/37/414399937.db2.gz XWRBRKHYAGHQBQ-BBWFWOEESA-N 2 0 262.441 2.887 20 0 CFADRP COC[C@@H](CC(C)C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000658354881 414400240 /nfs/dbraw/zinc/40/02/40/414400240.db2.gz GAURBEVWMSFVGJ-QGZVFWFLSA-N 2 0 282.472 2.759 20 0 CFADRP CC[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000658357980 414402531 /nfs/dbraw/zinc/40/25/31/414402531.db2.gz WSZAMYKYRYSZHU-QGZVFWFLSA-N 2 0 290.455 2.583 20 0 CFADRP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250861 414475886 /nfs/dbraw/zinc/47/58/86/414475886.db2.gz PYJDSEYZMQEOIV-HNNXBMFYSA-N 2 0 294.826 2.683 20 0 CFADRP CO[C@H](C[NH2+][C@](C)(C[NH3+])C(C)C)C1CCCCC1 ZINC000662250101 414475935 /nfs/dbraw/zinc/47/59/35/414475935.db2.gz YAYCMSPGZRYLQQ-HUUCEWRRSA-N 2 0 256.434 2.545 20 0 CFADRP CC(C)[N@@H+](Cc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250336 414475965 /nfs/dbraw/zinc/47/59/65/414475965.db2.gz GDZRXOFBFJHBGC-OAHLLOKOSA-N 2 0 292.398 2.557 20 0 CFADRP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCCN4CCCC[C@H]34)C2)cc1 ZINC000655848618 414476885 /nfs/dbraw/zinc/47/68/85/414476885.db2.gz IYIBIBRLYGFUGO-QXAKKESOSA-N 2 0 299.462 2.872 20 0 CFADRP CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253073 414476940 /nfs/dbraw/zinc/47/69/40/414476940.db2.gz UMENBOYSSZEPGB-IRXDYDNUSA-N 2 0 288.435 2.981 20 0 CFADRP CC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CCCCO1 ZINC000655849141 414477336 /nfs/dbraw/zinc/47/73/36/414477336.db2.gz NMWDBXVIWAOKIB-LQKXBSAESA-N 2 0 266.429 2.549 20 0 CFADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000662250227 414477815 /nfs/dbraw/zinc/47/78/15/414477815.db2.gz BIWRUJCKZGZZCB-HOTGVXAUSA-N 2 0 278.440 2.552 20 0 CFADRP CO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000662267450 414484016 /nfs/dbraw/zinc/48/40/16/414484016.db2.gz VWXCNWQLICBCLU-MWDXBVQZSA-N 2 0 280.456 2.641 20 0 CFADRP C[C@@]1(C[NH3+])CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662272609 414488223 /nfs/dbraw/zinc/48/82/23/414488223.db2.gz GXJPPIWDNGYCON-WBVHZDCISA-N 2 0 258.409 2.777 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000662272388 414488260 /nfs/dbraw/zinc/48/82/60/414488260.db2.gz FQGMAFYCTLVHKZ-FGTMMUONSA-N 2 0 294.483 2.903 20 0 CFADRP COc1cccc(SCC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000662272455 414489307 /nfs/dbraw/zinc/48/93/07/414489307.db2.gz NIANNGFJALLTTM-CQSZACIVSA-N 2 0 294.464 2.848 20 0 CFADRP COc1cccc(SCCN(C)C2(C[NH3+])CCC2)c1 ZINC000662274906 414490117 /nfs/dbraw/zinc/49/01/17/414490117.db2.gz YJMAYIPBFDBMGU-UHFFFAOYSA-N 2 0 280.437 2.601 20 0 CFADRP CO[C@H](C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000662274036 414490313 /nfs/dbraw/zinc/49/03/13/414490313.db2.gz SLDXYMNPMGVDCY-IAGOWNOFSA-N 2 0 280.456 2.513 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000662276004 414490750 /nfs/dbraw/zinc/49/07/50/414490750.db2.gz GVOJUWVMWMUYBS-IRXDYDNUSA-N 2 0 280.456 2.657 20 0 CFADRP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274721 414490812 /nfs/dbraw/zinc/49/08/12/414490812.db2.gz KVAVNFDRNROETJ-MCIONIFRSA-N 2 0 274.399 2.989 20 0 CFADRP CO[C@H](C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000662274256 414490878 /nfs/dbraw/zinc/49/08/78/414490878.db2.gz GXJNNHGLARWLED-RCCFBDPRSA-N 2 0 288.435 2.696 20 0 CFADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCC2CCC2)CC1 ZINC000662280952 414492464 /nfs/dbraw/zinc/49/24/64/414492464.db2.gz IRGIOPWYNRFOFT-IAGOWNOFSA-N 2 0 280.456 2.785 20 0 CFADRP CCC1(CC)CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662281083 414493199 /nfs/dbraw/zinc/49/31/99/414493199.db2.gz IECRSAVDHJDFJI-HNNXBMFYSA-N 2 0 280.456 2.800 20 0 CFADRP CC[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1 ZINC000662280429 414493356 /nfs/dbraw/zinc/49/33/56/414493356.db2.gz DKBZPFDZQHGFTR-HUUCEWRRSA-N 2 0 294.826 2.902 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCC2CCC2)C1 ZINC000662283288 414494392 /nfs/dbraw/zinc/49/43/92/414494392.db2.gz HBXOWZOARCKUHH-IKGGRYGDSA-N 2 0 280.456 2.928 20 0 CFADRP CC[N@H+](CCc1noc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000655938537 414494556 /nfs/dbraw/zinc/49/45/56/414494556.db2.gz XKIPHTFWLAEMMF-CQSZACIVSA-N 2 0 287.407 2.834 20 0 CFADRP Fc1cccc(F)c1CCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000655940982 414494915 /nfs/dbraw/zinc/49/49/15/414494915.db2.gz JMQGDEOEDDFZGO-UHFFFAOYSA-N 2 0 294.389 2.973 20 0 CFADRP C[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000655939440 414494999 /nfs/dbraw/zinc/49/49/99/414494999.db2.gz GYZRDJKXSULYPV-OLZOCXBDSA-N 2 0 282.378 2.814 20 0 CFADRP COc1cccc(SCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000662284570 414495156 /nfs/dbraw/zinc/49/51/56/414495156.db2.gz XPFLNEQJMHUCEV-HUUCEWRRSA-N 2 0 280.437 2.647 20 0 CFADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCC2CCC2)C1 ZINC000662283287 414495206 /nfs/dbraw/zinc/49/52/06/414495206.db2.gz HBXOWZOARCKUHH-BRWVUGGUSA-N 2 0 280.456 2.928 20 0 CFADRP c1ccc(CC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294261 414497319 /nfs/dbraw/zinc/49/73/19/414497319.db2.gz QNZDEUAJTGKFLP-SFHVURJKSA-N 2 0 272.436 2.941 20 0 CFADRP Cc1cnc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000662291538 414497350 /nfs/dbraw/zinc/49/73/50/414497350.db2.gz HSSZVERIETWXKH-ZFWWWQNUSA-N 2 0 277.412 2.756 20 0 CFADRP C[C@@H](c1ccccn1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291599 414497405 /nfs/dbraw/zinc/49/74/05/414497405.db2.gz IXZGZTCZSLQSHK-HOCLYGCPSA-N 2 0 273.424 2.854 20 0 CFADRP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292539 414497696 /nfs/dbraw/zinc/49/76/96/414497696.db2.gz GAJHCGOXNXWICT-GDBMZVCRSA-N 2 0 273.424 2.854 20 0 CFADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCC3CCC3)C2)C1 ZINC000662286181 414497963 /nfs/dbraw/zinc/49/79/63/414497963.db2.gz PIQGTAADLVZMJR-ZACQAIPSSA-N 2 0 280.456 2.785 20 0 CFADRP FCCCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292365 414498165 /nfs/dbraw/zinc/49/81/65/414498165.db2.gz DYQFNGLQPLBWMT-HNNXBMFYSA-N 2 0 256.409 2.838 20 0 CFADRP c1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)oc1C1CC1 ZINC000662294574 414498867 /nfs/dbraw/zinc/49/88/67/414498867.db2.gz QYFRONOEOLURQO-HNNXBMFYSA-N 2 0 289.423 2.764 20 0 CFADRP CO[C@@H](C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C1CCC1 ZINC000662295713 414499074 /nfs/dbraw/zinc/49/90/74/414499074.db2.gz WOQSCVRAOGKOKB-IRXDYDNUSA-N 2 0 280.456 2.513 20 0 CFADRP CC(C)OCCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297500 414499812 /nfs/dbraw/zinc/49/98/12/414499812.db2.gz QWIXDSZNPLZKAF-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@@H]1CCC[N@H+](CCOc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312954 414503186 /nfs/dbraw/zinc/50/31/86/414503186.db2.gz BXORCLOCNQKDGH-NVXWUHKLSA-N 2 0 276.424 2.905 20 0 CFADRP COc1ccc2c(c1)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000662309770 414503942 /nfs/dbraw/zinc/50/39/42/414503942.db2.gz DIISUEJUIYILLG-UHFFFAOYSA-N 2 0 288.435 2.833 20 0 CFADRP C[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)[C@@H]1CCC[NH3+] ZINC000662313913 414504003 /nfs/dbraw/zinc/50/40/03/414504003.db2.gz NJVYVGQRKGZTTQ-BZUAXINKSA-N 2 0 268.445 2.785 20 0 CFADRP COc1cccc2c1OCC[C@H]2[NH2+]C1CCC(C[NH3+])CC1 ZINC000656194599 414529840 /nfs/dbraw/zinc/52/98/40/414529840.db2.gz MBAFUZGYTKHNNY-SSDMNJCBSA-N 2 0 290.407 2.626 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000656193110 414530824 /nfs/dbraw/zinc/53/08/24/414530824.db2.gz PBYKDPOJACUZTG-LSDHHAIUSA-N 2 0 250.361 2.618 20 0 CFADRP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000656193268 414531089 /nfs/dbraw/zinc/53/10/89/414531089.db2.gz CSBNQZVIUPGCGC-ARFHVFGLSA-N 2 0 275.440 2.913 20 0 CFADRP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000656198692 414533817 /nfs/dbraw/zinc/53/38/17/414533817.db2.gz CICAWKCXKCXONL-ARFHVFGLSA-N 2 0 262.397 2.624 20 0 CFADRP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000656202060 414533985 /nfs/dbraw/zinc/53/39/85/414533985.db2.gz WYEDLKQEKQCGQX-QEJZJMRPSA-N 2 0 290.407 2.626 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[C@H]1CCCCO1 ZINC000656202191 414536573 /nfs/dbraw/zinc/53/65/73/414536573.db2.gz ZVZKFSSLIXSMFL-RRQGHBQHSA-N 2 0 291.439 2.847 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659854292 414588607 /nfs/dbraw/zinc/58/86/07/414588607.db2.gz YZXOTUNWOWLYJA-MUJYYYPQSA-N 2 0 250.430 2.696 20 0 CFADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC2CCC2)CC1 ZINC000659862191 414594211 /nfs/dbraw/zinc/59/42/11/414594211.db2.gz BSEHQDPXHKYXQI-IAGOWNOFSA-N 2 0 293.499 2.667 20 0 CFADRP CC(C)[NH+]1CCC(N(C)CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659867975 414599465 /nfs/dbraw/zinc/59/94/65/414599465.db2.gz LOOIWOQFYDGESP-IAGOWNOFSA-N 2 0 295.515 2.769 20 0 CFADRP CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC1 ZINC000659880389 414604043 /nfs/dbraw/zinc/60/40/43/414604043.db2.gz AUTSYZQRQXEROG-OFQRWUPVSA-N 2 0 270.461 2.587 20 0 CFADRP C[C@@H](CCc1ccccc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824121 533680080 /nfs/dbraw/zinc/68/00/80/533680080.db2.gz AFTUAIKLHWIFQD-KBPBESRZSA-N 2 0 264.388 2.736 20 0 CFADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000656270080 414555425 /nfs/dbraw/zinc/55/54/25/414555425.db2.gz XSVRUIAOCQZVJW-QMCVQRASSA-N 2 0 258.409 2.720 20 0 CFADRP c1cn2c(cccc2C[N@@H+]2CCC[C@H](OC3CCC3)C2)n1 ZINC000656271695 414556250 /nfs/dbraw/zinc/55/62/50/414556250.db2.gz KDACTKDIELXKAQ-INIZCTEOSA-N 2 0 285.391 2.868 20 0 CFADRP Cc1cc(C[NH3+])cc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)c1 ZINC000662578734 414568064 /nfs/dbraw/zinc/56/80/64/414568064.db2.gz GKBVNMTVHWVPFT-KRWDZBQOSA-N 2 0 295.386 2.627 20 0 CFADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000659844185 414581580 /nfs/dbraw/zinc/58/15/80/414581580.db2.gz HUYXPYQJYODPCO-KZNAEPCWSA-N 2 0 293.499 2.525 20 0 CFADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659958907 414634351 /nfs/dbraw/zinc/63/43/51/414634351.db2.gz AWNLVAVDSNIUFH-QKPAOTATSA-N 2 0 250.430 2.839 20 0 CFADRP C[C@H](C[NH2+]C1Cc2ccccc2C1)C[NH+]1CCCCC1 ZINC000038041967 174044673 /nfs/dbraw/zinc/04/46/73/174044673.db2.gz BPDPMAKUDDPKRC-OAHLLOKOSA-N 2 0 272.436 2.865 20 0 CFADRP c1cc(N2CC[NH+](CCCC3CCC3)CC2)cc[nH+]1 ZINC000660003504 414647984 /nfs/dbraw/zinc/64/79/84/414647984.db2.gz LDEBCHKNMIIOMB-UHFFFAOYSA-N 2 0 259.397 2.784 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](OC)C2CCCC2)C[C@@H]1C ZINC000659983665 414640471 /nfs/dbraw/zinc/64/04/71/414640471.db2.gz SBLPFNPWKVGANM-BHYGNILZSA-N 2 0 282.472 2.996 20 0 CFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000659980725 414640777 /nfs/dbraw/zinc/64/07/77/414640777.db2.gz YQFBOFGNBIIAEC-ZJPYXAASSA-N 2 0 294.483 2.855 20 0 CFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000656696102 414641286 /nfs/dbraw/zinc/64/12/86/414641286.db2.gz XESFZUJTHJKYRK-NCOADZHNSA-N 2 0 282.472 2.588 20 0 CFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000659997116 414645190 /nfs/dbraw/zinc/64/51/90/414645190.db2.gz MBHVWDFBQHXMAP-SZMVWBNQSA-N 2 0 290.451 2.566 20 0 CFADRP COCC[N@H+](C)CCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000663315153 414671195 /nfs/dbraw/zinc/67/11/95/414671195.db2.gz RGLHWVISFKNGOZ-UHFFFAOYSA-N 2 0 278.440 2.868 20 0 CFADRP CCCCC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770186 174399946 /nfs/dbraw/zinc/39/99/46/174399946.db2.gz SLPBJFWDOJQAPA-IRXDYDNUSA-N 2 0 283.504 2.817 20 0 CFADRP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CS1 ZINC000663343909 414676109 /nfs/dbraw/zinc/67/61/09/414676109.db2.gz JOXBYCXGONLEOX-VNQPRFMTSA-N 2 0 282.497 2.982 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000663344802 414677090 /nfs/dbraw/zinc/67/70/90/414677090.db2.gz XPFRBHCQWSANNB-YALNPMBYSA-N 2 0 280.456 2.654 20 0 CFADRP c1csc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347690 414677594 /nfs/dbraw/zinc/67/75/94/414677594.db2.gz SLBJHZITQASVAS-AWEZNQCLSA-N 2 0 264.438 2.960 20 0 CFADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000044517301 175190303 /nfs/dbraw/zinc/19/03/03/175190303.db2.gz WRBBNKMSMXTFDN-UHFFFAOYSA-N 2 0 250.361 2.647 20 0 CFADRP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044528048 175192643 /nfs/dbraw/zinc/19/26/43/175192643.db2.gz CZSSIDPIIOOGHP-OAHLLOKOSA-N 2 0 262.397 2.645 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044534489 175197674 /nfs/dbraw/zinc/19/76/74/175197674.db2.gz RTEMWCLPBNLMSL-KGLIPLIRSA-N 2 0 262.397 2.688 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000127101770 287302778 /nfs/dbraw/zinc/30/27/78/287302778.db2.gz XQBFRRAPVLJJDC-QXSJWSMHSA-N 2 0 268.445 2.512 20 0 CFADRP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541379 287307069 /nfs/dbraw/zinc/30/70/69/287307069.db2.gz XEBLBOYJLOJNMO-PMPSAXMXSA-N 2 0 250.430 2.888 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH+](C)C)CC2)CC1 ZINC000417358860 287311008 /nfs/dbraw/zinc/31/10/08/287311008.db2.gz UTKRXZBZQDNAHF-NVXWUHKLSA-N 2 0 293.499 2.713 20 0 CFADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000449712440 287311513 /nfs/dbraw/zinc/31/15/13/287311513.db2.gz RSYNNXPXYGCHOZ-JOCBIADPSA-N 2 0 294.483 2.780 20 0 CFADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000070170882 175876639 /nfs/dbraw/zinc/87/66/39/175876639.db2.gz LBQGBGLEERVEST-CYBMUJFWSA-N 2 0 287.382 2.935 20 0 CFADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169540 175877004 /nfs/dbraw/zinc/87/70/04/175877004.db2.gz VOKRSDXKRISJSK-UONOGXRCSA-N 2 0 262.397 2.817 20 0 CFADRP c1ccc(CCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000072143548 176324223 /nfs/dbraw/zinc/32/42/23/176324223.db2.gz RAJLXPFWLPLGJP-KRWDZBQOSA-N 2 0 258.409 2.695 20 0 CFADRP C[C@@H]1CCC[N@H+](CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422860587 287353912 /nfs/dbraw/zinc/35/39/12/287353912.db2.gz LQUAWFBQVMMDIR-VSZNYVQBSA-N 2 0 293.499 2.619 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000192925694 227384851 /nfs/dbraw/zinc/38/48/51/227384851.db2.gz ZQZMKRXSXKXQGQ-GDBMZVCRSA-N 2 0 258.409 2.897 20 0 CFADRP C[NH+](C)CC[C@H]([NH2+][C@H]1COC(C)(C)C1)C(C)(C)C ZINC000417909741 227151118 /nfs/dbraw/zinc/15/11/18/227151118.db2.gz DGGCTEXLEPZYBB-OLZOCXBDSA-N 2 0 256.434 2.510 20 0 CFADRP C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)[C@H](C[NH3+])C1 ZINC000420258354 287604734 /nfs/dbraw/zinc/60/47/34/287604734.db2.gz KCRZFBSVPIPYTE-YPMHNXCESA-N 2 0 273.355 2.938 20 0 CFADRP CCCC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000400987780 420503477 /nfs/dbraw/zinc/50/34/77/420503477.db2.gz XBRHNWAMOAMBJI-SOUVJXGZSA-N 2 0 250.430 2.935 20 0 CFADRP CCC[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187704540 260042697 /nfs/dbraw/zinc/04/26/97/260042697.db2.gz BFRLWANEFSAGEW-OAHLLOKOSA-N 2 0 268.445 2.752 20 0 CFADRP CC(C)[NH+]1CCC(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000037786311 260118265 /nfs/dbraw/zinc/11/82/65/260118265.db2.gz PFPFRFFNSFPBTA-UHFFFAOYSA-N 2 0 281.488 2.712 20 0 CFADRP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312893897 260219468 /nfs/dbraw/zinc/21/94/68/260219468.db2.gz XEWIBEFHXFVVPB-UPJWGTAASA-N 2 0 280.362 2.957 20 0 CFADRP CCn1c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)nc2ccccc21 ZINC000517892137 260315229 /nfs/dbraw/zinc/31/52/29/260315229.db2.gz IGBPRVXHGVBTBX-KBPBESRZSA-N 2 0 286.423 2.663 20 0 CFADRP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000415018740 274237221 /nfs/dbraw/zinc/23/72/21/274237221.db2.gz RFPYEJZQLBQNSW-GMTAPVOTSA-N 2 0 274.330 2.962 20 0 CFADRP C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000090077723 649861193 /nfs/dbraw/zinc/86/11/93/649861193.db2.gz OQFFFMPMYNCQOH-WBMJQRKESA-N 2 0 296.842 2.693 20 0 CFADRP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000129101471 264315299 /nfs/dbraw/zinc/31/52/99/264315299.db2.gz RATRYSDIKUNLCI-UTUOFQBUSA-N 2 0 264.335 2.839 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+]CCc1ccccc1C(F)(F)F ZINC000422737881 274475360 /nfs/dbraw/zinc/47/53/60/274475360.db2.gz HUFRPZJMVAPHBG-LLVKDONJSA-N 2 0 274.330 2.965 20 0 CFADRP CCc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000225381928 270256586 /nfs/dbraw/zinc/25/65/86/270256586.db2.gz XBZNOXQSOOGZBU-NWDGAFQWSA-N 2 0 252.427 2.918 20 0 CFADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000519155397 265342800 /nfs/dbraw/zinc/34/28/00/265342800.db2.gz DJKHGQAZFVPUSD-LSDHHAIUSA-N 2 0 299.418 2.876 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000519155396 265343110 /nfs/dbraw/zinc/34/31/10/265343110.db2.gz DJKHGQAZFVPUSD-HUUCEWRRSA-N 2 0 299.418 2.876 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000514652694 266028412 /nfs/dbraw/zinc/02/84/12/266028412.db2.gz RHTYQNDUJZPKKS-FOLVSLTJSA-N 2 0 268.445 2.652 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cnc3ccccc3c2)C1 ZINC000514660393 266030639 /nfs/dbraw/zinc/03/06/39/266030639.db2.gz HKLCJKLNTZVHPT-CABCVRRESA-N 2 0 255.365 2.594 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000192746022 270233941 /nfs/dbraw/zinc/23/39/41/270233941.db2.gz FXGFEJLRJGFJDW-ZWKOTPCHSA-N 2 0 295.515 2.913 20 0 CFADRP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000192737855 270234114 /nfs/dbraw/zinc/23/41/14/270234114.db2.gz GGBXUEAMCFNHGY-CALCHBBNSA-N 2 0 281.488 2.665 20 0 CFADRP CSCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000229581088 270259106 /nfs/dbraw/zinc/25/91/06/270259106.db2.gz FILRSYHTNUACMI-BFHYXJOUSA-N 2 0 258.475 2.838 20 0 CFADRP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000230766116 270259943 /nfs/dbraw/zinc/25/99/43/270259943.db2.gz GGCUKHITTNFPIO-QZTJIDSGSA-N 2 0 295.515 2.818 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000237153516 270265023 /nfs/dbraw/zinc/26/50/23/270265023.db2.gz LKDHLNMHIOMXMI-AWEZNQCLSA-N 2 0 289.423 2.609 20 0 CFADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237155478 270265408 /nfs/dbraw/zinc/26/54/08/270265408.db2.gz QYUVLSNQKZDYLU-CXAGYDPISA-N 2 0 297.402 2.681 20 0 CFADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cccc2ccccc21 ZINC000258937318 270274370 /nfs/dbraw/zinc/27/43/70/270274370.db2.gz JUVZSYLQZSRDDE-DLBZAZTESA-N 2 0 254.377 2.852 20 0 CFADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1cccc(F)c1 ZINC000258783701 270274816 /nfs/dbraw/zinc/27/48/16/270274816.db2.gz BNRQMIIEWNUEEK-UONOGXRCSA-N 2 0 250.361 2.573 20 0 CFADRP C(COCC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000313257093 270290647 /nfs/dbraw/zinc/29/06/47/270290647.db2.gz USWBLSALHAYTRI-BBWFWOEESA-N 2 0 280.456 2.704 20 0 CFADRP CCC[C@@H]([NH2+]CCOCC[NH+](C)C)C1CCCC1 ZINC000313387187 270290680 /nfs/dbraw/zinc/29/06/80/270290680.db2.gz IIDZLHMBMLDMIM-OAHLLOKOSA-N 2 0 256.434 2.513 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000315164320 270291585 /nfs/dbraw/zinc/29/15/85/270291585.db2.gz YYXSONRFWUSKFK-IRXDYDNUSA-N 2 0 288.435 2.756 20 0 CFADRP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000315164317 270291940 /nfs/dbraw/zinc/29/19/40/270291940.db2.gz YYXSONRFWUSKFK-DLBZAZTESA-N 2 0 288.435 2.756 20 0 CFADRP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000395093842 270310806 /nfs/dbraw/zinc/31/08/06/270310806.db2.gz RSSQEOHAXMSWHO-SJLPKXTDSA-N 3 0 289.467 2.629 20 0 CFADRP Cc1cc(Br)ccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000395199598 270311860 /nfs/dbraw/zinc/31/18/60/270311860.db2.gz VCWOXHWIACHCEQ-UHFFFAOYSA-N 2 0 283.213 2.679 20 0 CFADRP C[C@@H]([NH2+]CCCN1CCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000395231868 270312568 /nfs/dbraw/zinc/31/25/68/270312568.db2.gz WASZXXUJUMAYJG-NVXWUHKLSA-N 2 0 287.451 2.559 20 0 CFADRP C[C@@H]1C[C@H]([NH2+][C@H]2COC(C)(C)C2)CN1Cc1ccccc1 ZINC000396609076 270315468 /nfs/dbraw/zinc/31/54/68/270315468.db2.gz SPPCLKXQGOQDQF-HYVNUMGLSA-N 2 0 288.435 2.807 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397253729 270316725 /nfs/dbraw/zinc/31/67/25/270316725.db2.gz QGNVFTVGXRGIHL-LZWOXQAQSA-N 2 0 276.424 2.809 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(OC)c1 ZINC000397321246 270317089 /nfs/dbraw/zinc/31/70/89/270317089.db2.gz NCONJJFRCKTTIZ-IPYPFGDCSA-N 2 0 292.423 2.509 20 0 CFADRP COCc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000397408955 270318027 /nfs/dbraw/zinc/31/80/27/270318027.db2.gz NPKZGYKFLRNFNU-CPUCHLNUSA-N 2 0 276.424 2.638 20 0 CFADRP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000397436706 270318310 /nfs/dbraw/zinc/31/83/10/270318310.db2.gz CTVUZIDJXPMJNG-GUTXKFCHSA-N 2 0 262.397 2.500 20 0 CFADRP COc1ccccc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397478134 270319002 /nfs/dbraw/zinc/31/90/02/270319002.db2.gz JESSQQUOPUFAQX-GUTXKFCHSA-N 2 0 262.397 2.500 20 0 CFADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000515164891 270363169 /nfs/dbraw/zinc/36/31/69/270363169.db2.gz XQUDLVUKNMKMOQ-CQSZACIVSA-N 2 0 291.439 2.819 20 0 CFADRP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C1CCCCC1 ZINC000515666069 270373961 /nfs/dbraw/zinc/37/39/61/270373961.db2.gz DXFBDMIHRATRMC-HOTGVXAUSA-N 2 0 270.461 2.638 20 0 CFADRP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1CC[NH2+]CC1 ZINC000516044692 270377266 /nfs/dbraw/zinc/37/72/66/270377266.db2.gz PUYBVOSEJVONJV-GOSISDBHSA-N 2 0 290.451 2.817 20 0 CFADRP CC(C)c1nc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cs1 ZINC000516272739 270379793 /nfs/dbraw/zinc/37/97/93/270379793.db2.gz DCPNLKCBACFRLA-NSHDSACASA-N 2 0 267.442 2.917 20 0 CFADRP c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3CC[NH2+]CC3)C2)cc1 ZINC000521858930 270436290 /nfs/dbraw/zinc/43/62/90/270436290.db2.gz CDGVHEJOCDBHBA-ROUUACIJSA-N 2 0 272.436 2.987 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529536899 270698473 /nfs/dbraw/zinc/69/84/73/270698473.db2.gz ADNIILVNTDELNF-LLVKDONJSA-N 2 0 260.372 2.742 20 0 CFADRP C[C@@H]1CC2(C[N@@H+]1Cc1ncccc1Cl)CC[NH2+]CC2 ZINC000530227430 270776647 /nfs/dbraw/zinc/77/66/47/270776647.db2.gz XMSVHSULMHIBEK-GFCCVEGCSA-N 2 0 279.815 2.699 20 0 CFADRP COCCC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423040238 274018243 /nfs/dbraw/zinc/01/82/43/274018243.db2.gz SRRZVWIJGQUHOU-GDBMZVCRSA-N 2 0 278.440 2.597 20 0 CFADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116962 274101459 /nfs/dbraw/zinc/10/14/59/274101459.db2.gz SGEXKUMBBKBWPP-TUURBPCVSA-N 2 0 290.382 2.694 20 0 CFADRP COc1ccc(CCC[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414693615 274108008 /nfs/dbraw/zinc/10/80/08/274108008.db2.gz CMEKPIBXPDQOJI-WBVHZDCISA-N 2 0 290.451 2.948 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@H+](C)CC1)CC2 ZINC000271908220 274135270 /nfs/dbraw/zinc/13/52/70/274135270.db2.gz XGBIGCKJRBXQMG-QGZVFWFLSA-N 2 0 272.392 2.534 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000092836302 274136660 /nfs/dbraw/zinc/13/66/60/274136660.db2.gz LTGPATDYDAHOHT-FZKQIMNGSA-N 2 0 286.419 2.756 20 0 CFADRP COc1cccc(C[C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423301586 274147014 /nfs/dbraw/zinc/14/70/14/274147014.db2.gz HUPUILIIFJDPFQ-LJQANCHMSA-N 2 0 296.414 2.788 20 0 CFADRP COc1cccc2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C2 ZINC000414811010 274153591 /nfs/dbraw/zinc/15/35/91/274153591.db2.gz VVRVQJPCWOZNRJ-ZOBUZTSGSA-N 2 0 288.435 2.660 20 0 CFADRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000211836235 274209026 /nfs/dbraw/zinc/20/90/26/274209026.db2.gz XMDGUPBIEIOBJZ-NHYWBVRUSA-N 2 0 266.816 2.737 20 0 CFADRP C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000423020115 274245729 /nfs/dbraw/zinc/24/57/29/274245729.db2.gz YUXPTDGAVKZGII-RHSMWYFYSA-N 2 0 272.436 2.912 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423143164 274247702 /nfs/dbraw/zinc/24/77/02/274247702.db2.gz CMEOFDKWKXNGEE-UKPHBRMFSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1C(F)(F)F ZINC000422919005 274254587 /nfs/dbraw/zinc/25/45/87/274254587.db2.gz JJPIKXGZZILLGL-VHSXEESVSA-N 2 0 272.314 2.964 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000128930750 274340426 /nfs/dbraw/zinc/34/04/26/274340426.db2.gz JEVDGDADYMYKBB-BFYDXBDKSA-N 2 0 298.434 2.691 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c2ccccc21 ZINC000443506600 274366514 /nfs/dbraw/zinc/36/65/14/274366514.db2.gz DIEMZKMRSQDUNG-CHWSQXEVSA-N 2 0 255.365 2.764 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000261594952 274377963 /nfs/dbraw/zinc/37/79/63/274377963.db2.gz XVVSIRIAJWHBNK-ZWNOBZJWSA-N 2 0 283.213 2.537 20 0 CFADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3sccc32)CC[NH2+]1 ZINC000423403553 274393968 /nfs/dbraw/zinc/39/39/68/274393968.db2.gz YKRKOVUYBPTGMD-MDZLAQPJSA-N 2 0 250.411 2.856 20 0 CFADRP C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414696464 274399501 /nfs/dbraw/zinc/39/95/01/274399501.db2.gz HRGFDTDRPHFOQF-RKVPGOIHSA-N 2 0 272.436 2.864 20 0 CFADRP C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414856638 274510326 /nfs/dbraw/zinc/51/03/26/274510326.db2.gz OSJXDESLFOFFOH-HOTGVXAUSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)C1C[NH2+]C1 ZINC000335045040 274522087 /nfs/dbraw/zinc/52/20/87/274522087.db2.gz XXSKAIHCVAPDAN-LKFCYVNXSA-N 2 0 295.224 2.634 20 0 CFADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000335042685 274564493 /nfs/dbraw/zinc/56/44/93/274564493.db2.gz UMKBUBDDIFZBKZ-MAUKXSAKSA-N 2 0 287.451 2.633 20 0 CFADRP C[C@]1(C[NH2+][C@@H]2CCSc3ccccc32)CC[NH2+]C1 ZINC000334658739 274650964 /nfs/dbraw/zinc/65/09/64/274650964.db2.gz LCNHOQGZZFLAEM-HIFRSBDPSA-N 2 0 262.422 2.813 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H](C)C2 ZINC000423371189 274774062 /nfs/dbraw/zinc/77/40/62/274774062.db2.gz UTOXXYZHOUSGQG-LXZKKBNFSA-N 2 0 258.409 2.960 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423453217 274944040 /nfs/dbraw/zinc/94/40/40/274944040.db2.gz AJOFUDLLNOTZPB-LFQZWDMBSA-N 2 0 274.383 2.919 20 0 CFADRP [NH3+]CCCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423321324 274945221 /nfs/dbraw/zinc/94/52/21/274945221.db2.gz HCUOTRKQBXVNLP-GFCCVEGCSA-N 2 0 297.240 2.635 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000332181476 274948230 /nfs/dbraw/zinc/94/82/30/274948230.db2.gz ABXFDERBVDTPLH-IAOVAPTHSA-N 2 0 274.408 2.877 20 0 CFADRP c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423538329 275067454 /nfs/dbraw/zinc/06/74/54/275067454.db2.gz GCONDKSKLBWSHQ-XYJFISCASA-N 2 0 299.462 2.633 20 0 CFADRP c1ccc2c(c1)CCC([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423543726 275069403 /nfs/dbraw/zinc/06/94/03/275069403.db2.gz HPFFAPCWBBEDFA-ZIFCJYIRSA-N 2 0 284.447 2.912 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)C2 ZINC000414836952 275069875 /nfs/dbraw/zinc/06/98/75/275069875.db2.gz JWBMIKBQNBYKBP-WMLDXEAASA-N 2 0 258.409 2.523 20 0 CFADRP c1ccc2c(c1)CC[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)C2 ZINC000414836950 275069883 /nfs/dbraw/zinc/06/98/83/275069883.db2.gz JWBMIKBQNBYKBP-RHSMWYFYSA-N 2 0 258.409 2.523 20 0 CFADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC2(CCC2)C1 ZINC000449472853 275395593 /nfs/dbraw/zinc/39/55/93/275395593.db2.gz AUZYZWPVHGLDBH-ARFHVFGLSA-N 2 0 278.440 2.552 20 0 CFADRP C([C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1)[NH+]1CCCCC1 ZINC000371195997 275396438 /nfs/dbraw/zinc/39/64/38/275396438.db2.gz BBKSDARVPGPHDQ-IRXDYDNUSA-N 2 0 280.456 2.753 20 0 CFADRP C([C@H]1CCCO1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000245840406 275397481 /nfs/dbraw/zinc/39/74/81/275397481.db2.gz GFOMDXNMKCCVHF-IAGOWNOFSA-N 2 0 280.456 2.753 20 0 CFADRP CC(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356848852 275570764 /nfs/dbraw/zinc/57/07/64/275570764.db2.gz PEEBUBDKDLGWLF-CABCVRRESA-N 2 0 268.445 2.512 20 0 CFADRP CC(C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000062734223 275582150 /nfs/dbraw/zinc/58/21/50/275582150.db2.gz AHICTIHQUVVFIK-UHFFFAOYSA-N 2 0 295.858 2.837 20 0 CFADRP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000335520290 275874957 /nfs/dbraw/zinc/87/49/57/275874957.db2.gz QPZRNAZODQJKKR-JSGCOSHPSA-N 2 0 262.397 2.882 20 0 CFADRP CC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000423014771 275896480 /nfs/dbraw/zinc/89/64/80/275896480.db2.gz JIOUIHZFIHJEBU-JKSUJKDBSA-N 2 0 258.409 2.509 20 0 CFADRP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CC[NH+](C)CC1 ZINC000134156921 275909934 /nfs/dbraw/zinc/90/99/34/275909934.db2.gz LJFXRDIIJNCMTA-ZBFHGGJFSA-N 2 0 250.430 2.910 20 0 CFADRP CC(C)[NH+]1CCN(C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000371340287 275949649 /nfs/dbraw/zinc/94/96/49/275949649.db2.gz CZMJCJNRTDQPBZ-UHFFFAOYSA-N 2 0 293.499 2.667 20 0 CFADRP CCCC[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000367081767 275976476 /nfs/dbraw/zinc/97/64/76/275976476.db2.gz VACBVCXCZANLDN-INIZCTEOSA-N 2 0 280.456 2.800 20 0 CFADRP CCC[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH2+]CC1 ZINC000347099460 276001435 /nfs/dbraw/zinc/00/14/35/276001435.db2.gz KXKMTTKFQKDWSB-UHFFFAOYSA-N 2 0 299.418 2.904 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358930534 276097915 /nfs/dbraw/zinc/09/79/15/276097915.db2.gz IEHNMQQGUQSGMU-HOCLYGCPSA-N 2 0 292.471 2.898 20 0 CFADRP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000190608892 276106292 /nfs/dbraw/zinc/10/62/92/276106292.db2.gz TZKYJWNCLJTXGL-RDJZCZTQSA-N 2 0 282.472 2.591 20 0 CFADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000414188818 276151216 /nfs/dbraw/zinc/15/12/16/276151216.db2.gz JHKFGVMNZDFIKK-GOEBONIOSA-N 2 0 250.430 2.887 20 0 CFADRP CC1CCC(O)(C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123217146 276191641 /nfs/dbraw/zinc/19/16/41/276191641.db2.gz KMPGGFUAPXVLRT-UHFFFAOYSA-N 2 0 296.499 2.981 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000334865368 276194836 /nfs/dbraw/zinc/19/48/36/276194836.db2.gz TXRANHSIEKGOBJ-AOCRQIFASA-N 3 0 293.499 2.761 20 0 CFADRP CCC(CC)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153877624 276209922 /nfs/dbraw/zinc/20/99/22/276209922.db2.gz JEUYINHRQXRWPK-IRXDYDNUSA-N 2 0 295.515 2.913 20 0 CFADRP CCC(CC)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363109968 276210240 /nfs/dbraw/zinc/21/02/40/276210240.db2.gz COWNMNFQNOUGLB-QGZVFWFLSA-N 2 0 281.488 2.523 20 0 CFADRP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](CC)CC1)OC ZINC000341885186 276211885 /nfs/dbraw/zinc/21/18/85/276211885.db2.gz HXDCLMGIYDUXDF-MRXNPFEDSA-N 2 0 270.461 2.902 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000343548760 276221855 /nfs/dbraw/zinc/22/18/55/276221855.db2.gz AAKKTKPSKTWHBQ-OIISXLGYSA-N 2 0 258.409 2.722 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C)[C@H](C)C1 ZINC000174779066 276225188 /nfs/dbraw/zinc/22/51/88/276225188.db2.gz AODBSZGXIGCHRK-WBVHZDCISA-N 2 0 289.467 2.915 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccccc2)[C@H](C)C1 ZINC000246875470 276228756 /nfs/dbraw/zinc/22/87/56/276228756.db2.gz DSISWTKGROBMSL-HYVNUMGLSA-N 2 0 276.424 2.694 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)[C@@H](C)C1 ZINC000421382342 276229711 /nfs/dbraw/zinc/22/97/11/276229711.db2.gz NAHHHNVFVTUNHH-ZNMIVQPWSA-N 2 0 282.497 2.840 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000247222468 276230331 /nfs/dbraw/zinc/23/03/31/276230331.db2.gz XUJWUSWDHDDQGO-YJBOKZPZSA-N 3 0 289.467 2.568 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(N)ccc32)[C@@H](C)C1 ZINC000414925144 276230626 /nfs/dbraw/zinc/23/06/26/276230626.db2.gz JIQRKJZKICZAJW-DOPJRALCSA-N 2 0 287.451 2.966 20 0 CFADRP CCC[NH+](CCC)CCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422702837 276252844 /nfs/dbraw/zinc/25/28/44/276252844.db2.gz GBLBWDJFYGDMQW-CVEARBPZSA-N 2 0 269.477 2.606 20 0 CFADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245835149 276263775 /nfs/dbraw/zinc/26/37/75/276263775.db2.gz CJISIDYAOPFODI-KLHDSHLOSA-N 2 0 280.456 2.512 20 0 CFADRP CCC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccccn1 ZINC000423321072 276271618 /nfs/dbraw/zinc/27/16/18/276271618.db2.gz GBAHPEIPXVDRHC-CQSZACIVSA-N 2 0 261.413 2.902 20 0 CFADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000070463873 276334831 /nfs/dbraw/zinc/33/48/31/276334831.db2.gz LNMWHBOIOADSBX-QGZVFWFLSA-N 2 0 276.424 2.797 20 0 CFADRP CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423006755 276369940 /nfs/dbraw/zinc/36/99/40/276369940.db2.gz WFXRUWWZJLAEOG-QWRGUYRKSA-N 2 0 270.804 2.954 20 0 CFADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000248508724 276386812 /nfs/dbraw/zinc/38/68/12/276386812.db2.gz YHBFNPVUGVJWQR-RCCFBDPRSA-N 2 0 293.499 2.525 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000430720926 276473806 /nfs/dbraw/zinc/47/38/06/276473806.db2.gz NVWUZVZEHYBUQQ-BSDSXHPESA-N 2 0 296.499 2.884 20 0 CFADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184657737 276759019 /nfs/dbraw/zinc/75/90/19/276759019.db2.gz HSERDHHEBABJEE-HNNXBMFYSA-N 2 0 268.445 2.608 20 0 CFADRP CN(C)c1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357049356 276805692 /nfs/dbraw/zinc/80/56/92/276805692.db2.gz KUZWJMKOZXURJQ-INIZCTEOSA-N 2 0 287.451 2.574 20 0 CFADRP C1[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)[C@@H]1C1CC[NH2+]CC1 ZINC000423448748 276853942 /nfs/dbraw/zinc/85/39/42/276853942.db2.gz VNLDFHKYONIZJQ-IILICJAHSA-N 2 0 274.452 2.789 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000361896654 277026219 /nfs/dbraw/zinc/02/62/19/277026219.db2.gz KVYDSIXZEDMUTA-OKZBNKHCSA-N 2 0 294.483 2.903 20 0 CFADRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000125321989 277026501 /nfs/dbraw/zinc/02/65/01/277026501.db2.gz KDBDZHAOSSXAOJ-SFHVURJKSA-N 2 0 272.436 2.865 20 0 CFADRP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)CCO3)CC1 ZINC000373693540 277038286 /nfs/dbraw/zinc/03/82/86/277038286.db2.gz CGAMOORZLZWQNM-UHFFFAOYSA-N 2 0 286.419 2.682 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C2CC2)CC1 ZINC000368332278 277043598 /nfs/dbraw/zinc/04/35/98/277043598.db2.gz PXNXLLCIQVEOMJ-MRXNPFEDSA-N 2 0 250.430 2.983 20 0 CFADRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000374927718 277043723 /nfs/dbraw/zinc/04/37/23/277043723.db2.gz MTWUZMUPFUYJKU-QZTJIDSGSA-N 2 0 294.483 2.999 20 0 CFADRP CN1CC[N@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000351692600 277044319 /nfs/dbraw/zinc/04/43/19/277044319.db2.gz MOEUSZJGDQAMRA-QGZVFWFLSA-N 2 0 287.451 2.813 20 0 CFADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000361372852 277060175 /nfs/dbraw/zinc/06/01/75/277060175.db2.gz ABDYQEVZDLUUIG-TVFCKZIOSA-N 2 0 294.483 2.876 20 0 CFADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000334624939 277072385 /nfs/dbraw/zinc/07/23/85/277072385.db2.gz RJXIFMVGKPUVNH-UONOGXRCSA-N 2 0 272.383 2.840 20 0 CFADRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(CCCCO2)C1 ZINC000376467030 277078073 /nfs/dbraw/zinc/07/80/73/277078073.db2.gz CDHVYXCOUDRBGZ-HOTGVXAUSA-N 2 0 266.429 2.506 20 0 CFADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423264105 277083340 /nfs/dbraw/zinc/08/33/40/277083340.db2.gz YBOUHDWRQITPNN-DZGCQCFKSA-N 2 0 289.423 2.685 20 0 CFADRP COC1CCC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000361928571 277193002 /nfs/dbraw/zinc/19/30/02/277193002.db2.gz WTRKTDBTCLZANY-AKZYDZMLSA-N 2 0 268.445 2.510 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000234805677 277259930 /nfs/dbraw/zinc/25/99/30/277259930.db2.gz QYMFJWJWJFFCGO-DZGCQCFKSA-N 2 0 294.439 2.945 20 0 CFADRP COC[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000158676654 277262053 /nfs/dbraw/zinc/26/20/53/277262053.db2.gz QOYWLKGGJQJRIM-XHSDSOJGSA-N 2 0 270.461 2.615 20 0 CFADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000423284033 277282748 /nfs/dbraw/zinc/28/27/48/277282748.db2.gz XZTDELLRLPIVSV-IINYFYTJSA-N 2 0 297.240 2.882 20 0 CFADRP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1 ZINC000376559980 277295402 /nfs/dbraw/zinc/29/54/02/277295402.db2.gz BHCUIAPPOMSUFU-GDBMZVCRSA-N 2 0 266.429 2.551 20 0 CFADRP CO[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000364918726 277324740 /nfs/dbraw/zinc/32/47/40/277324740.db2.gz WENIFSIYEJGSDB-FMKPAKJESA-N 2 0 268.445 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000358186066 277332245 /nfs/dbraw/zinc/33/22/45/277332245.db2.gz IHYIQAOHLHCTJL-DAXOMENPSA-N 2 0 296.842 2.957 20 0 CFADRP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1CC1 ZINC000425432784 277332536 /nfs/dbraw/zinc/33/25/36/277332536.db2.gz LQZZDDYWAJTIDQ-UKPHBRMFSA-N 2 0 280.456 2.654 20 0 CFADRP CO[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000246508151 277332811 /nfs/dbraw/zinc/33/28/11/277332811.db2.gz TXHCAKCAVIPEME-UHOFOFEASA-N 2 0 280.387 2.586 20 0 CFADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000293640084 277333959 /nfs/dbraw/zinc/33/39/59/277333959.db2.gz KSEQKSXOWYZPLN-LZWOXQAQSA-N 2 0 264.413 2.550 20 0 CFADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC000424268207 277351643 /nfs/dbraw/zinc/35/16/43/277351643.db2.gz ZODBITXCJOWHFE-WNKDZCFJSA-N 2 0 280.456 2.656 20 0 CFADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000449213297 277397299 /nfs/dbraw/zinc/39/72/99/277397299.db2.gz VDPDLHNBEXYKGX-ZNMIVQPWSA-N 2 0 270.486 2.696 20 0 CFADRP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(C)c1OC ZINC000423407400 277428776 /nfs/dbraw/zinc/42/87/76/277428776.db2.gz VSQOKJDLYSFJRK-ZLDLUXBVSA-N 2 0 292.423 2.661 20 0 CFADRP COC1CCC(C)(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000423084573 277476698 /nfs/dbraw/zinc/47/66/98/277476698.db2.gz IJKHTDATUCWIRY-PYBGIAKNSA-N 2 0 268.445 2.831 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000423070198 277562159 /nfs/dbraw/zinc/56/21/59/277562159.db2.gz FSMCUZHWYBNJCZ-USXIJHARSA-N 2 0 276.424 2.871 20 0 CFADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000422841683 277589865 /nfs/dbraw/zinc/58/98/65/277589865.db2.gz WOMZMNUGMPWQGH-DCGLDWPTSA-N 2 0 294.414 2.793 20 0 CFADRP CC(C)[C@@H](CN[C@H]1CCCCC[C@H]1[NH3+])[NH+]1CCC(C)CC1 ZINC000422841573 277744529 /nfs/dbraw/zinc/74/45/29/277744529.db2.gz DDMRDBHGBVEPLI-FGTMMUONSA-N 2 0 295.515 2.993 20 0 CFADRP C1[NH2+]C[C@@H]2C[C@H]([NH2+]C3C4CC5CC(C4)CC3C5)CC[C@@H]12 ZINC000400946834 277760753 /nfs/dbraw/zinc/76/07/53/277760753.db2.gz ATKTXXLLPLEYBY-UYNNFYPCSA-N 2 0 274.452 2.789 20 0 CFADRP C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000335565076 277762417 /nfs/dbraw/zinc/76/24/17/277762417.db2.gz NCKQKBMKQLFJRR-QAPCUYQASA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422925120 277840980 /nfs/dbraw/zinc/84/09/80/277840980.db2.gz ZSOSXEQQSHZTPC-FPCVCCKLSA-N 2 0 268.445 2.687 20 0 CFADRP CC(C)[C@H]([NH3+])CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414798306 277909386 /nfs/dbraw/zinc/90/93/86/277909386.db2.gz QCWUFJCPLJNZKN-UAGQMJEPSA-N 2 0 281.488 2.602 20 0 CFADRP COc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCC2 ZINC000423349586 277981778 /nfs/dbraw/zinc/98/17/78/277981778.db2.gz WZNOSPJFGQRTSN-KRWDZBQOSA-N 2 0 272.392 2.582 20 0 CFADRP C[C@@H]1C[C@H](CN2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414682723 278011676 /nfs/dbraw/zinc/01/16/76/278011676.db2.gz RUGMHAVDZMYAPW-SJLPKXTDSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C[N@@H+]1C1CC1 ZINC000422866395 278028339 /nfs/dbraw/zinc/02/83/39/278028339.db2.gz QLIICDWZSISKOF-PSOLEGPJSA-N 2 0 291.483 2.512 20 0 CFADRP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000423236977 278049753 /nfs/dbraw/zinc/04/97/53/278049753.db2.gz HSGRYWJZLNBBML-HEHGZKQESA-N 2 0 263.429 2.525 20 0 CFADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423447830 278169552 /nfs/dbraw/zinc/16/95/52/278169552.db2.gz ULPJYVONQMPQJI-BXUZGUMPSA-N 2 0 277.412 2.588 20 0 CFADRP C[C@H](CCO)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000245546907 278174625 /nfs/dbraw/zinc/17/46/25/278174625.db2.gz WVBVEVXWQCNNRO-SJLPKXTDSA-N 2 0 290.451 2.744 20 0 CFADRP C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000341892208 278211337 /nfs/dbraw/zinc/21/13/37/278211337.db2.gz AZSFDQJZCOFASG-JJTUDDRGSA-N 2 0 281.488 2.568 20 0 CFADRP CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423383400 278222390 /nfs/dbraw/zinc/22/23/90/278222390.db2.gz JGWGENOSKUFMDL-YLFCFFPRSA-N 2 0 293.499 2.665 20 0 CFADRP C[C@@H](CC1CCCCC1)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489965183 278224795 /nfs/dbraw/zinc/22/47/95/278224795.db2.gz LJFPIGGIZSVADD-FUHWJXTLSA-N 2 0 293.499 2.572 20 0 CFADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430936677 278225536 /nfs/dbraw/zinc/22/55/36/278225536.db2.gz VSRCXZMEMDLUDQ-HNNXBMFYSA-N 2 0 280.456 2.515 20 0 CFADRP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415070653 278227040 /nfs/dbraw/zinc/22/70/40/278227040.db2.gz IVGCSEYDPLGDEP-WDEREUQCSA-N 2 0 252.324 2.839 20 0 CFADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423353652 278227506 /nfs/dbraw/zinc/22/75/06/278227506.db2.gz BVRDECXTRJWWHW-LRDDRELGSA-N 2 0 261.413 2.753 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCC1(F)CCC1 ZINC000423132811 278230200 /nfs/dbraw/zinc/23/02/00/278230200.db2.gz UYNXSUNXTLMPST-ZFWWWQNUSA-N 2 0 264.388 2.817 20 0 CFADRP C[C@@H](C[NH3+])C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423312967 278245632 /nfs/dbraw/zinc/24/56/32/278245632.db2.gz VWHBELZOSTVQRT-NHYWBVRUSA-N 2 0 257.381 2.730 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCOC1 ZINC000119575830 278254147 /nfs/dbraw/zinc/25/41/47/278254147.db2.gz TYYJUCLHJUWWHX-LSDHHAIUSA-N 2 0 280.456 2.798 20 0 CFADRP CC1(C)CC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000184654020 278263834 /nfs/dbraw/zinc/26/38/34/278263834.db2.gz MAFPUCDGGMQVMJ-INIZCTEOSA-N 2 0 280.456 2.752 20 0 CFADRP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423170684 278264779 /nfs/dbraw/zinc/26/47/79/278264779.db2.gz MROOHERNBMENET-LCGIIJARSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000414745790 278267866 /nfs/dbraw/zinc/26/78/66/278267866.db2.gz YIMMNKNJWZKVPL-FPMFFAJLSA-N 2 0 298.352 2.960 20 0 CFADRP CC1(C)CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000364859421 278279147 /nfs/dbraw/zinc/27/91/47/278279147.db2.gz NKPVTSJADQEMED-INIZCTEOSA-N 2 0 280.456 2.609 20 0 CFADRP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)C[NH+](C)C ZINC000314084801 278284307 /nfs/dbraw/zinc/28/43/07/278284307.db2.gz YTLTYMQEBRPHDA-KBPBESRZSA-N 2 0 292.423 2.696 20 0 CFADRP C[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C[NH+]1CCCC1 ZINC000442708886 278287543 /nfs/dbraw/zinc/28/75/43/278287543.db2.gz LZWGMQPHRIIGSN-LSDHHAIUSA-N 2 0 297.446 2.957 20 0 CFADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000422888398 278309356 /nfs/dbraw/zinc/30/93/56/278309356.db2.gz CPDSFFPCNSELHA-CABCVRRESA-N 2 0 290.455 2.677 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415128222 278314617 /nfs/dbraw/zinc/31/46/17/278314617.db2.gz RXQWDPVFYMJXTL-GJZGRUSLSA-N 2 0 268.445 2.641 20 0 CFADRP CC(C)(C)CC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415110478 278314840 /nfs/dbraw/zinc/31/48/40/278314840.db2.gz PDDCMCQLMXGYOB-HUUCEWRRSA-N 2 0 268.445 2.641 20 0 CFADRP CC[C@H]([NH2+]CC1(CCOC)CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422889192 288036970 /nfs/dbraw/zinc/03/69/70/288036970.db2.gz OXSFUBZQEGLXTR-GJZGRUSLSA-N 2 0 268.445 2.704 20 0 CFADRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1(C)CC1 ZINC000090523444 278336170 /nfs/dbraw/zinc/33/61/70/278336170.db2.gz GEVJAZFQPBWVQT-KBMXLJTQSA-N 2 0 280.456 2.533 20 0 CFADRP CC(C)(C)[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000157407129 278341833 /nfs/dbraw/zinc/34/18/33/278341833.db2.gz NXTBORLVUUAYCR-DLBZAZTESA-N 2 0 287.451 2.984 20 0 CFADRP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423102885 278348373 /nfs/dbraw/zinc/34/83/73/278348373.db2.gz AGDBBTXLEWLKPZ-YIDVYQOGSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@@H]([NH2+]CC[C@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000423143159 278348578 /nfs/dbraw/zinc/34/85/78/278348578.db2.gz CMEOFDKWKXNGEE-FRFSOERESA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422812990 278354519 /nfs/dbraw/zinc/35/45/19/278354519.db2.gz YTYGJQKMNTWDBE-UNEWFSDZSA-N 2 0 258.409 2.837 20 0 CFADRP C[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1Oc2ccccc2[C@@H]1C ZINC000422918663 278363487 /nfs/dbraw/zinc/36/34/87/278363487.db2.gz IASUMPCCKMBDOP-BLXSCJOCSA-N 2 0 262.397 2.655 20 0 CFADRP CC1(C)C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000215891137 278368943 /nfs/dbraw/zinc/36/89/43/278368943.db2.gz OQEHCGFREYXEHS-HNNXBMFYSA-N 2 0 289.423 2.598 20 0 CFADRP C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422751455 278387319 /nfs/dbraw/zinc/38/73/19/278387319.db2.gz FYWNJDWEZDNNMM-XOKHGSTOSA-N 2 0 258.409 2.664 20 0 CFADRP C[C@@H]([C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000423526904 278410140 /nfs/dbraw/zinc/41/01/40/278410140.db2.gz VGYPPPSZJNODJW-OFQRWUPVSA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCCO[C@H]21 ZINC000227078056 278444242 /nfs/dbraw/zinc/44/42/42/278444242.db2.gz CTLFYXHVCKUMFN-BZUAXINKSA-N 2 0 280.456 2.656 20 0 CFADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000415039357 278515247 /nfs/dbraw/zinc/51/52/47/278515247.db2.gz NXZVBMWBBYQTTE-LMSBXDPUSA-N 3 0 293.499 2.747 20 0 CFADRP CC1CC[NH+](C2CCC([NH2+]C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000415120977 278536933 /nfs/dbraw/zinc/53/69/33/278536933.db2.gz YLDLNKXVTHILFC-DAWZGUTISA-N 3 0 293.499 2.619 20 0 CFADRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000154915750 288059447 /nfs/dbraw/zinc/05/94/47/288059447.db2.gz QPKPJFCWUQLKQL-WMZOPIPTSA-N 2 0 289.467 2.672 20 0 CFADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423272679 533690949 /nfs/dbraw/zinc/69/09/49/533690949.db2.gz KAVXAHDSRICWTP-IJEWVQPXSA-N 2 0 289.423 2.511 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(F)c1 ZINC000423405814 288070277 /nfs/dbraw/zinc/07/02/77/288070277.db2.gz TZEJIZKCFPSAOI-TUKIKUTGSA-N 2 0 250.361 2.864 20 0 CFADRP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368009981 278732002 /nfs/dbraw/zinc/73/20/02/278732002.db2.gz YWCNWXWQIWLMPZ-GVDBMIGSSA-N 2 0 295.515 2.959 20 0 CFADRP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000400983518 288072258 /nfs/dbraw/zinc/07/22/58/288072258.db2.gz VJMVUEFUQRRKCR-QXSJWSMHSA-N 2 0 250.430 2.933 20 0 CFADRP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1nnc2n1CCCCC2 ZINC000422911848 288076870 /nfs/dbraw/zinc/07/68/70/288076870.db2.gz UNOUOYHGCRGDJD-KGLIPLIRSA-N 2 0 293.459 2.563 20 0 CFADRP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@@H]1CCCO1 ZINC000415081738 288078222 /nfs/dbraw/zinc/07/82/22/288078222.db2.gz NHTGRFMJUVMEKD-UGUYLWEFSA-N 2 0 268.445 2.844 20 0 CFADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000359951194 288078897 /nfs/dbraw/zinc/07/88/97/288078897.db2.gz YOCZDYAKXPKVLJ-IXDOHACOSA-N 3 0 281.488 2.571 20 0 CFADRP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[NH+](C)C ZINC000360858392 279014618 /nfs/dbraw/zinc/01/46/18/279014618.db2.gz LESYHIXJUCPBTL-WBMJQRKESA-N 2 0 264.388 2.990 20 0 CFADRP Cc1c[nH+]ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000192612193 279027421 /nfs/dbraw/zinc/02/74/21/279027421.db2.gz FVEXFTNAAVOLBT-UHFFFAOYSA-N 2 0 259.397 2.845 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000340287198 279036647 /nfs/dbraw/zinc/03/66/47/279036647.db2.gz WPHYKXSCMRSLDR-IRXDYDNUSA-N 2 0 281.488 2.523 20 0 CFADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000401113992 279079495 /nfs/dbraw/zinc/07/94/95/279079495.db2.gz HKIVHDWNDHCIHV-DOERSZECSA-N 2 0 279.453 2.799 20 0 CFADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000336827344 279092243 /nfs/dbraw/zinc/09/22/43/279092243.db2.gz BJHSQVGMDRVAKS-INIZCTEOSA-N 2 0 282.472 2.998 20 0 CFADRP CC(C)C[C@H](C)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415115698 279094062 /nfs/dbraw/zinc/09/40/62/279094062.db2.gz XDVULTQFFFQPCI-BHYGNILZSA-N 2 0 282.472 2.887 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037051566 279101564 /nfs/dbraw/zinc/10/15/64/279101564.db2.gz GXFFYIIJTFFZSP-GOEBONIOSA-N 2 0 292.471 2.898 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000037051568 279101681 /nfs/dbraw/zinc/10/16/81/279101681.db2.gz GXFFYIIJTFFZSP-HOCLYGCPSA-N 2 0 292.471 2.898 20 0 CFADRP CC(C)C[C@H](CCO)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422814143 279121434 /nfs/dbraw/zinc/12/14/34/279121434.db2.gz ZSVIFERMCGMOPW-IKGGRYGDSA-N 2 0 284.488 2.932 20 0 CFADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH+]1CCCC[C@H]1C ZINC000249298738 288106214 /nfs/dbraw/zinc/10/62/14/288106214.db2.gz FIOZEISVPSIBNI-QBPKDAKJSA-N 2 0 281.488 2.569 20 0 CFADRP C[C@@H]1c2ccccc2O[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000368291975 279139054 /nfs/dbraw/zinc/13/90/54/279139054.db2.gz SRSTXIHQRWJMEJ-HEBKJCSOSA-N 2 0 288.435 2.869 20 0 CFADRP C[C@@]1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCC[NH2+]C1 ZINC000423350345 279162987 /nfs/dbraw/zinc/16/29/87/279162987.db2.gz XLCCFJVZAURLCH-DLBZAZTESA-N 2 0 274.408 2.749 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000423127202 279255128 /nfs/dbraw/zinc/25/51/28/279255128.db2.gz JRWAFBDWKPOKOY-LALPHHSUSA-N 2 0 282.453 2.858 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423430566 279255133 /nfs/dbraw/zinc/25/51/33/279255133.db2.gz LCKBWTONUWVPQM-WBMJQRKESA-N 2 0 262.397 2.877 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000422951846 279255672 /nfs/dbraw/zinc/25/56/72/279255672.db2.gz AJEMXHHRDADTLD-RISCZKNCSA-N 2 0 266.360 2.756 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423173797 279367192 /nfs/dbraw/zinc/36/71/92/279367192.db2.gz ABQCLTQXFLGFKF-SUJAAXHWSA-N 2 0 268.445 2.700 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422865057 279367913 /nfs/dbraw/zinc/36/79/13/279367913.db2.gz WZOBNCOKVATYCA-IKGGRYGDSA-N 2 0 293.499 2.904 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415109266 279372058 /nfs/dbraw/zinc/37/20/58/279372058.db2.gz QXRDETJNTMAANT-SPUZQDLCSA-N 2 0 288.435 2.884 20 0 CFADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCSC1 ZINC000136355852 279372093 /nfs/dbraw/zinc/37/20/93/279372093.db2.gz PHKKVEPOQHZFKY-MGPQQGTHSA-N 2 0 256.459 2.782 20 0 CFADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCc2c1cccc2F ZINC000415100793 279372115 /nfs/dbraw/zinc/37/21/15/279372115.db2.gz ICYUAXSWFCGLQX-HSMVNMDESA-N 2 0 262.372 2.933 20 0 CFADRP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353501025 279379940 /nfs/dbraw/zinc/37/99/40/279379940.db2.gz HNNNGJJFWPYDOD-BNEJOLLZSA-N 2 0 288.435 2.786 20 0 CFADRP C[C@H](F)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000351734874 279390487 /nfs/dbraw/zinc/39/04/87/279390487.db2.gz KCVLCTSILIGWDV-YDHLFZDLSA-N 2 0 254.393 2.683 20 0 CFADRP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(SC)CC2)[C@H](C)C1 ZINC000347844719 279397674 /nfs/dbraw/zinc/39/76/74/279397674.db2.gz CAHOEBIMUXPCPE-CHWSQXEVSA-N 2 0 256.459 2.544 20 0 CFADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Cl)cn1 ZINC000335501332 279453237 /nfs/dbraw/zinc/45/32/37/279453237.db2.gz RAXHDOAPIQZFSV-GCVQQVDUSA-N 2 0 253.777 2.656 20 0 CFADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCCC1 ZINC000246273052 279457115 /nfs/dbraw/zinc/45/71/15/279457115.db2.gz ATZSYSCRIKDNRY-JCGIZDLHSA-N 2 0 294.483 2.923 20 0 CFADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC000415055368 279627300 /nfs/dbraw/zinc/62/73/00/279627300.db2.gz OOYTXYFYNXUDNZ-HZPDHXFCSA-N 2 0 262.397 2.625 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000423116677 279636633 /nfs/dbraw/zinc/63/66/33/279636633.db2.gz QZJGSEQBAAYRFY-AGIUHOORSA-N 2 0 260.372 2.919 20 0 CFADRP CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000354512302 279735860 /nfs/dbraw/zinc/73/58/60/279735860.db2.gz NZHWMPPYHQXQDY-FZKCQIBNSA-N 2 0 268.445 2.654 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C12CCCC2 ZINC000422805671 279874255 /nfs/dbraw/zinc/87/42/55/279874255.db2.gz MMGNUHXMGJMBTJ-YHUYYLMFSA-N 2 0 280.456 2.702 20 0 CFADRP CCO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)C12CCC2 ZINC000423375138 279935837 /nfs/dbraw/zinc/93/58/37/279935837.db2.gz ITNCTLWDPCQYAS-IRXDYDNUSA-N 2 0 286.419 2.727 20 0 CFADRP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000415053409 280100108 /nfs/dbraw/zinc/10/01/08/280100108.db2.gz JSYYXEPUIYIWLQ-ORQFMDKSSA-N 2 0 258.409 2.918 20 0 CFADRP CC[C@@H](CSc1ccccc1)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423005436 280156556 /nfs/dbraw/zinc/15/65/56/280156556.db2.gz SCJXATMCRMDLET-JSGCOSHPSA-N 2 0 264.438 2.755 20 0 CFADRP C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000375454108 280168745 /nfs/dbraw/zinc/16/87/45/280168745.db2.gz SQFYCLUURMQSLN-KURKYZTESA-N 2 0 294.483 2.878 20 0 CFADRP CC[C@@H]([NH2+][C@H](C)CC[NH+](C)C)c1ccc(C(=O)OC)cc1 ZINC000293576486 280195928 /nfs/dbraw/zinc/19/59/28/280195928.db2.gz DROHJXDDHHNIKH-CZUORRHYSA-N 2 0 292.423 2.854 20 0 CFADRP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000415080786 280255227 /nfs/dbraw/zinc/25/52/27/280255227.db2.gz JRXNAYLLARIVKQ-PVAVHDDUSA-N 2 0 275.440 2.941 20 0 CFADRP Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnn1C(C)C ZINC000423540975 280256299 /nfs/dbraw/zinc/25/62/99/280256299.db2.gz KGMJOKGFEGAGNT-QCEMKRCNSA-N 2 0 290.455 2.811 20 0 CFADRP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423500469 280265281 /nfs/dbraw/zinc/26/52/81/280265281.db2.gz BZNYTHHYJPELCR-CPFNUKBASA-N 2 0 293.499 2.761 20 0 CFADRP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000415109572 280268603 /nfs/dbraw/zinc/26/86/03/280268603.db2.gz PSMYRUCJWAFITB-KRWDZBQOSA-N 2 0 278.415 2.982 20 0 CFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422905037 280278077 /nfs/dbraw/zinc/27/80/77/280278077.db2.gz HOBPUVKVTMSVBI-ZACQAIPSSA-N 2 0 295.515 2.865 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442877037 280328723 /nfs/dbraw/zinc/32/87/23/280328723.db2.gz QPHSXIQFLNSFMD-BBWFWOEESA-N 2 0 295.515 2.817 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000430709442 280329011 /nfs/dbraw/zinc/32/90/11/280329011.db2.gz NIWAXBXRQKSZJT-FJIDUMEYSA-N 2 0 295.515 2.674 20 0 CFADRP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423413449 280329045 /nfs/dbraw/zinc/32/90/45/280329045.db2.gz KNGVENQXTPQNGT-XUWVNRHRSA-N 2 0 268.445 2.559 20 0 CFADRP c1cc(N2CCC([NH2+]C[C@H]3CCCS3)CC2)cc[nH+]1 ZINC000149743280 280468777 /nfs/dbraw/zinc/46/87/77/280468777.db2.gz UKSRHNXSJXRDLW-OAHLLOKOSA-N 2 0 277.437 2.536 20 0 CFADRP c1ccc2c(c1)CCC[C@H]2[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489696 280488226 /nfs/dbraw/zinc/48/82/26/280488226.db2.gz XGGANBVSXMNTPB-MRXNPFEDSA-N 2 0 256.393 2.892 20 0 CFADRP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000119464677 280608419 /nfs/dbraw/zinc/60/84/19/280608419.db2.gz XSCZGHQYSNHLNF-CVEARBPZSA-N 2 0 296.455 2.574 20 0 CFADRP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120867862 280618793 /nfs/dbraw/zinc/61/87/93/280618793.db2.gz MQKNDAUHRHBWQS-IAGOWNOFSA-N 2 0 281.488 2.594 20 0 CFADRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000121075548 280619987 /nfs/dbraw/zinc/61/99/87/280619987.db2.gz MZRAQDYGWFJYNR-AEFFLSMTSA-N 2 0 295.515 2.818 20 0 CFADRP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000415012094 280773987 /nfs/dbraw/zinc/77/39/87/280773987.db2.gz ILZPVLGQIUPYOT-KBPBESRZSA-N 2 0 266.433 2.502 20 0 CFADRP C[NH+]1CCC(CC[NH2+]Cc2ccncc2Cl)CC1 ZINC000229943068 280937836 /nfs/dbraw/zinc/93/78/36/280937836.db2.gz KBQCPOWJVHOBGD-UHFFFAOYSA-N 2 0 267.804 2.557 20 0 CFADRP CC[N@@H+]1CC[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000247231240 281007204 /nfs/dbraw/zinc/00/72/04/281007204.db2.gz YHUNMIOACKNDMM-SZMVWBNQSA-N 2 0 295.515 2.817 20 0 CFADRP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)sc1C ZINC000247225679 281007598 /nfs/dbraw/zinc/00/75/98/281007598.db2.gz WQUZXLDFPRVAPP-UHIISALHSA-N 2 0 281.469 2.621 20 0 CFADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000247239613 281008446 /nfs/dbraw/zinc/00/84/46/281008446.db2.gz XKZIHNSPZNJGKW-VBQJREDUSA-N 2 0 294.414 2.913 20 0 CFADRP CC[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247974912 281017695 /nfs/dbraw/zinc/01/76/95/281017695.db2.gz KOQFJIZMOMHICD-JKSUJKDBSA-N 2 0 281.488 2.571 20 0 CFADRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248143607 281018349 /nfs/dbraw/zinc/01/83/49/281018349.db2.gz PXVAZCHGVDOYTA-NXHRZFHOSA-N 2 0 296.499 2.741 20 0 CFADRP CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000248640907 281029758 /nfs/dbraw/zinc/02/97/58/281029758.db2.gz NTZSUOFCFYQYKP-KURKYZTESA-N 2 0 295.515 2.818 20 0 CFADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(C(C)C)c2C)C1 ZINC000248722616 281032496 /nfs/dbraw/zinc/03/24/96/281032496.db2.gz TUMFYRPDQOYSFU-UKRRQHHQSA-N 2 0 278.444 2.765 20 0 CFADRP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249095978 281048157 /nfs/dbraw/zinc/04/81/57/281048157.db2.gz LZKLMGGZVVTOLY-KBAYOESNSA-N 2 0 288.435 2.523 20 0 CFADRP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCCO1 ZINC000249275317 281053966 /nfs/dbraw/zinc/05/39/66/281053966.db2.gz JUCDOOFLXPGULD-BHYGNILZSA-N 2 0 278.440 2.504 20 0 CFADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC=C(C)C)[C@@H](C)C1 ZINC000249370444 281056855 /nfs/dbraw/zinc/05/68/55/281056855.db2.gz OZHPQMBEIDYEHE-JKSUJKDBSA-N 2 0 268.445 2.679 20 0 CFADRP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252860577 281077967 /nfs/dbraw/zinc/07/79/67/281077967.db2.gz NAGYWFSFJVEXRM-ULQDDVLXSA-N 2 0 258.409 2.863 20 0 CFADRP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000252855555 281078223 /nfs/dbraw/zinc/07/82/23/281078223.db2.gz KIBDRBDVQYEMQN-JYJNAYRXSA-N 2 0 274.408 2.563 20 0 CFADRP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252859375 281078253 /nfs/dbraw/zinc/07/82/53/281078253.db2.gz MKCABZXNASNBMR-BPUTZDHNSA-N 2 0 274.408 2.563 20 0 CFADRP Cc1ccsc1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000259037726 281111209 /nfs/dbraw/zinc/11/12/09/281111209.db2.gz PIIZZJIRPVDCMR-CYBMUJFWSA-N 2 0 252.427 2.878 20 0 CFADRP Cc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1F ZINC000259192703 281111705 /nfs/dbraw/zinc/11/17/05/281111705.db2.gz ZTRRQUQJXUIFQP-ZDUSSCGKSA-N 2 0 250.361 2.613 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423256450 281117898 /nfs/dbraw/zinc/11/78/98/281117898.db2.gz FBKVBUCUMCIFHP-RHSMWYFYSA-N 2 0 258.409 2.962 20 0 CFADRP Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)[C@@H](C)C2 ZINC000423246093 281118074 /nfs/dbraw/zinc/11/80/74/281118074.db2.gz JWHBKTXIXWNUCL-JJRVBVJISA-N 2 0 258.409 2.818 20 0 CFADRP COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000277334428 281127222 /nfs/dbraw/zinc/12/72/22/281127222.db2.gz VRKBAAUQJZVLTE-AWEZNQCLSA-N 2 0 280.387 2.750 20 0 CFADRP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000302107444 281170073 /nfs/dbraw/zinc/17/00/73/281170073.db2.gz ALTYXUQAGHPHEH-HNNXBMFYSA-N 2 0 279.387 2.994 20 0 CFADRP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C[NH+]1CCCC1 ZINC000357886897 281181186 /nfs/dbraw/zinc/18/11/86/281181186.db2.gz WRIFLYWFBNKNJR-BZUAXINKSA-N 2 0 292.467 2.656 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CSC1(C)C ZINC000393860128 281194139 /nfs/dbraw/zinc/19/41/39/281194139.db2.gz FYEWZWXVXGCRPB-AGIUHOORSA-N 2 0 256.459 2.781 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])CC(F)(F)F ZINC000397011027 281199965 /nfs/dbraw/zinc/19/99/65/281199965.db2.gz OJMQORKAAYBVPG-AXFHLTTASA-N 2 0 252.324 2.682 20 0 CFADRP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420372006 281220114 /nfs/dbraw/zinc/22/01/14/281220114.db2.gz XKWJPMNXOVYHDV-QLFBSQMISA-N 2 0 268.445 2.559 20 0 CFADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCc1ccsc1 ZINC000420372537 281220237 /nfs/dbraw/zinc/22/02/37/281220237.db2.gz YDWHWJYOLMKDFF-CYBMUJFWSA-N 2 0 252.427 2.658 20 0 CFADRP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420373150 281220282 /nfs/dbraw/zinc/22/02/82/281220282.db2.gz MCEGSNQXFGGIGN-HUUCEWRRSA-N 2 0 276.428 2.553 20 0 CFADRP Cc1cccc(OCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422929789 281222622 /nfs/dbraw/zinc/22/26/22/281222622.db2.gz RNWDKHPFHOXYPT-AWEZNQCLSA-N 2 0 299.418 2.887 20 0 CFADRP COc1ccc(C[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000423009700 281223088 /nfs/dbraw/zinc/22/30/88/281223088.db2.gz DKOWZRKGTJSQLE-MELADBBJSA-N 2 0 264.413 2.589 20 0 CFADRP COc1ccc(C[C@@H](C)C[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000423009777 281223155 /nfs/dbraw/zinc/22/31/55/281223155.db2.gz DVLDOWYSPHOSNU-HUUCEWRRSA-N 2 0 278.440 2.981 20 0 CFADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423773433 281224825 /nfs/dbraw/zinc/22/48/25/281224825.db2.gz MPJUUWSTEJDUBT-GOEBONIOSA-N 2 0 297.487 2.521 20 0 CFADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1(CC)CC ZINC000424375752 281227549 /nfs/dbraw/zinc/22/75/49/281227549.db2.gz NVNLIPNATRVTFS-APIJFGDWSA-N 2 0 268.445 2.830 20 0 CFADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424372933 281227615 /nfs/dbraw/zinc/22/76/15/281227615.db2.gz IWJOSVCYOWHRJT-OSMBCOQSSA-N 2 0 258.409 2.723 20 0 CFADRP C[NH+]1CCC(C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453103347 281248845 /nfs/dbraw/zinc/24/88/45/281248845.db2.gz CADVEFNARAZLDC-UHFFFAOYSA-N 2 0 272.436 2.865 20 0 CFADRP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cc2)n1 ZINC000515068617 281290919 /nfs/dbraw/zinc/29/09/19/281290919.db2.gz KXRFGGKAMHHKFJ-YOEHRIQHSA-N 2 0 298.434 2.801 20 0 CFADRP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423068985 281291447 /nfs/dbraw/zinc/29/14/47/281291447.db2.gz LBXXSRSCMNNHHP-BPLDGKMQSA-N 2 0 260.381 2.536 20 0 CFADRP CC[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000154593099 281294148 /nfs/dbraw/zinc/29/41/48/281294148.db2.gz QOCFLEYOVPMAET-UAGQMJEPSA-N 2 0 282.472 2.780 20 0 CFADRP CC(C)CC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000520570249 281310037 /nfs/dbraw/zinc/31/00/37/281310037.db2.gz YQFLWHNZVLSNMS-CVEARBPZSA-N 2 0 270.461 2.638 20 0 CFADRP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)ccn1 ZINC000527681254 281340860 /nfs/dbraw/zinc/34/08/60/281340860.db2.gz MUUGLKNAGPYGIL-QGZVFWFLSA-N 2 0 275.440 2.848 20 0 CFADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423385713 288323432 /nfs/dbraw/zinc/32/34/32/288323432.db2.gz GXXOXDZPCVWYHL-ONERCXAPSA-N 2 0 264.800 2.915 20 0 CFADRP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000541537590 281605198 /nfs/dbraw/zinc/60/51/98/281605198.db2.gz VOXQAUWJISNOJB-FUHWJXTLSA-N 2 0 294.483 2.857 20 0 CFADRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000541738701 281610612 /nfs/dbraw/zinc/61/06/12/281610612.db2.gz NHMJEKGKBAHIIE-HZPDHXFCSA-N 2 0 270.461 2.759 20 0 CFADRP CC[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000542790766 281633906 /nfs/dbraw/zinc/63/39/06/281633906.db2.gz OKCHFWOPGFQHHM-IAGOWNOFSA-N 2 0 281.488 2.572 20 0 CFADRP CC1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000553814648 281881910 /nfs/dbraw/zinc/88/19/10/281881910.db2.gz ZMPVKVANUKYXSG-HWOWSKLDSA-N 2 0 280.456 2.656 20 0 CFADRP CC[C@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000554071231 281884605 /nfs/dbraw/zinc/88/46/05/281884605.db2.gz IZIFMUQKHMFUJT-WMZOPIPTSA-N 2 0 290.451 2.948 20 0 CFADRP CCC(C)(C)C1CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415038739 281980064 /nfs/dbraw/zinc/98/00/64/281980064.db2.gz OGPYLKJEQGHFOJ-QSCRHYGLSA-N 2 0 250.430 2.789 20 0 CFADRP CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000559873333 282011653 /nfs/dbraw/zinc/01/16/53/282011653.db2.gz RPGCPJFIAZTOKL-IAGOWNOFSA-N 2 0 281.488 2.521 20 0 CFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC(C(C)C)C(C)C)CC1 ZINC000560047792 282014318 /nfs/dbraw/zinc/01/43/18/282014318.db2.gz CSNOWCHJWIQVEF-QGZVFWFLSA-N 2 0 297.531 2.778 20 0 CFADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000355374865 282023974 /nfs/dbraw/zinc/02/39/74/282023974.db2.gz CONLJEBRECPRKU-HUUCEWRRSA-N 2 0 297.487 2.534 20 0 CFADRP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000560529698 282032468 /nfs/dbraw/zinc/03/24/68/282032468.db2.gz WSGPXGAFQGLWPW-UYSNPLJNSA-N 2 0 268.445 2.654 20 0 CFADRP CCCN1CCC[C@H]1C[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000560582775 282035535 /nfs/dbraw/zinc/03/55/35/282035535.db2.gz HNHQXVOAPNFKBP-SOUVJXGZSA-N 2 0 268.445 2.654 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423040416 282045978 /nfs/dbraw/zinc/04/59/78/282045978.db2.gz GZTUVWSCBJADEH-RAIGVLPGSA-N 2 0 279.453 2.807 20 0 CFADRP CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415085926 282067062 /nfs/dbraw/zinc/06/70/62/282067062.db2.gz RIBRDILULDTSED-ARFHVFGLSA-N 2 0 282.472 2.686 20 0 CFADRP C[NH+](C)CC1(C[NH2+][C@@H]2CCOC3(CCC3)C2)CCCC1 ZINC000449241482 282075413 /nfs/dbraw/zinc/07/54/13/282075413.db2.gz BBQYQWIGRQSWNU-OAHLLOKOSA-N 2 0 280.456 2.800 20 0 CFADRP Cc1ccccc1[C@H]([C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000423058879 292686814 /nfs/dbraw/zinc/68/68/14/292686814.db2.gz KMVJAMDYHLZATG-LMSBXDPUSA-N 2 0 289.467 2.716 20 0 CFADRP C[NH+](C)CCCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272767709 289111858 /nfs/dbraw/zinc/11/18/58/289111858.db2.gz RTTZKNPXRVNZKW-HNNXBMFYSA-N 2 0 280.387 2.971 20 0 CFADRP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC[NH2+]C1 ZINC000262072494 289163752 /nfs/dbraw/zinc/16/37/52/289163752.db2.gz SDYPBHOUMWXFEU-HZPDHXFCSA-N 2 0 262.372 2.962 20 0 CFADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000374384464 289309652 /nfs/dbraw/zinc/30/96/52/289309652.db2.gz IAYLRYQXSGOONB-XHSDSOJGSA-N 2 0 280.456 2.798 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000423428566 289460201 /nfs/dbraw/zinc/46/02/01/289460201.db2.gz JLKPANWWWUQCMH-QAPCUYQASA-N 2 0 298.434 2.868 20 0 CFADRP C[C@H](CC[NH2+][C@@H]1CCC12CCOCC2)[NH+]1CCCCC1 ZINC000376739666 289490671 /nfs/dbraw/zinc/49/06/71/289490671.db2.gz KSMWWWWXDIJFNN-HZPDHXFCSA-N 2 0 280.456 2.800 20 0 CFADRP C[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)C[NH+](C)C ZINC000310791639 289686571 /nfs/dbraw/zinc/68/65/71/289686571.db2.gz UYSMHTRFKVQQCS-WFWUXJIDSA-N 2 0 250.430 2.598 20 0 CFADRP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423292818 289796557 /nfs/dbraw/zinc/79/65/57/289796557.db2.gz OPDPTYLNJSBPNW-JBBXEZCESA-N 2 0 281.403 2.941 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1F ZINC000251488584 290005884 /nfs/dbraw/zinc/00/58/84/290005884.db2.gz CDIBEJDTAGTSNA-SLEUVZQESA-N 2 0 250.361 2.994 20 0 CFADRP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397981 290015472 /nfs/dbraw/zinc/01/54/72/290015472.db2.gz INLKTFDYJJYCJI-LUKYLMHMSA-N 2 0 293.499 2.712 20 0 CFADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC(C(F)(F)F)CC1 ZINC000423437373 290033370 /nfs/dbraw/zinc/03/33/70/290033370.db2.gz QIBRUJZVOSTGEP-ZAYVUGBCSA-N 2 0 276.346 2.551 20 0 CFADRP C[C@H]([NH2+][C@H]1COC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417989998 290059667 /nfs/dbraw/zinc/05/96/67/290059667.db2.gz UFXWRWHYPDLLAA-RRFJBIMHSA-N 2 0 280.456 2.797 20 0 CFADRP C[C@H](O)CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000366008285 290071135 /nfs/dbraw/zinc/07/11/35/290071135.db2.gz JTQYMNJRZVOCPA-VYDXJSESSA-N 2 0 282.472 2.780 20 0 CFADRP CC1(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000562748220 290073372 /nfs/dbraw/zinc/07/33/72/290073372.db2.gz PRAMYRCHHUDVDR-GOEBONIOSA-N 2 0 276.399 2.909 20 0 CFADRP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000563423137 290148619 /nfs/dbraw/zinc/14/86/19/290148619.db2.gz CVDQSEDVXNKXIP-JKSUJKDBSA-N 2 0 262.397 2.583 20 0 CFADRP CCN(CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000563424986 290149410 /nfs/dbraw/zinc/14/94/10/290149410.db2.gz OCSQCENTWJWBDQ-CVEARBPZSA-N 2 0 275.440 2.763 20 0 CFADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cnc(C3CCC3)s2)C1 ZINC000563452673 290153788 /nfs/dbraw/zinc/15/37/88/290153788.db2.gz YHRSXIIMQPNDNU-JQWIXIFHSA-N 2 0 265.426 2.628 20 0 CFADRP Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000563452662 290153812 /nfs/dbraw/zinc/15/38/12/290153812.db2.gz VXXMTJYWKRDOOT-TZMCWYRMSA-N 2 0 252.427 2.972 20 0 CFADRP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000563735319 290172120 /nfs/dbraw/zinc/17/21/20/290172120.db2.gz ZCSMFMHFIIOWBY-GDBMZVCRSA-N 2 0 289.423 2.785 20 0 CFADRP COc1cccc(CCC[N@@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000563821374 290177106 /nfs/dbraw/zinc/17/71/06/290177106.db2.gz UGHNTKHOFPGRGS-UHFFFAOYSA-N 2 0 288.435 2.831 20 0 CFADRP CCCOc1ccc(C[N@H+](C)CCC[NH3+])cc1OCC ZINC000563886007 290181278 /nfs/dbraw/zinc/18/12/78/290181278.db2.gz ACYKAWUJICGOTG-UHFFFAOYSA-N 2 0 280.412 2.655 20 0 CFADRP CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000563921301 290183409 /nfs/dbraw/zinc/18/34/09/290183409.db2.gz ZVHMVFYSNICTDE-QLFBSQMISA-N 2 0 256.434 2.512 20 0 CFADRP C[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@H]2CCCC[C@@H]12 ZINC000564212279 290197711 /nfs/dbraw/zinc/19/77/11/290197711.db2.gz QTPDJNVDIIPZEX-AGIUHOORSA-N 2 0 292.427 2.664 20 0 CFADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccsc2)C1 ZINC000564319580 290202552 /nfs/dbraw/zinc/20/25/52/290202552.db2.gz XPOBHILZKPYYTK-HIFRSBDPSA-N 2 0 266.454 2.999 20 0 CFADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000564426123 290208453 /nfs/dbraw/zinc/20/84/53/290208453.db2.gz CMZFZADQTZMDNU-JZXOWHBKSA-N 2 0 288.435 2.756 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000564713462 290226094 /nfs/dbraw/zinc/22/60/94/290226094.db2.gz LHZDPMRMSJAHTI-WCQYABFASA-N 2 0 265.426 2.628 20 0 CFADRP Cc1cc(C)cc(OCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000564741479 290229088 /nfs/dbraw/zinc/22/90/88/290229088.db2.gz TUBCXVURCYCYQW-GJZGRUSLSA-N 2 0 262.397 2.542 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)cc1F ZINC000564823926 290237334 /nfs/dbraw/zinc/23/73/34/290237334.db2.gz PHPHVCFUIVEAPK-RKDXNWHRSA-N 2 0 289.192 2.804 20 0 CFADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000564916230 290249457 /nfs/dbraw/zinc/24/94/57/290249457.db2.gz VEGDAFWPXWFNSS-CVEARBPZSA-N 2 0 268.445 2.609 20 0 CFADRP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000565226983 290285552 /nfs/dbraw/zinc/28/55/52/290285552.db2.gz PTADQOHBUNICFF-RBSFLKMASA-N 2 0 262.397 2.622 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CCN1CCc1c(F)cccc1Cl ZINC000565432205 290301205 /nfs/dbraw/zinc/30/12/05/290301205.db2.gz YWZMDPHKSZOVMD-QWRGUYRKSA-N 2 0 270.779 2.833 20 0 CFADRP Cc1ncc(CNc2cccc(-c3nccn3C)c2)n1C ZINC000565432190 290301250 /nfs/dbraw/zinc/30/12/50/290301250.db2.gz LFSDOUUPYLCDSJ-UHFFFAOYSA-N 2 0 281.363 2.741 20 0 CFADRP CCCCN(C)CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000565633458 290314260 /nfs/dbraw/zinc/31/42/60/290314260.db2.gz ZCHZBZPJDMCKGV-UHFFFAOYSA-N 2 0 268.445 2.800 20 0 CFADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000565644559 290315167 /nfs/dbraw/zinc/31/51/67/290315167.db2.gz PYEQCDMQSBXXLJ-JQHSSLGASA-N 2 0 288.435 2.763 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC000565785476 290325755 /nfs/dbraw/zinc/32/57/55/290325755.db2.gz WCEKOEWHLLOJDX-OLZOCXBDSA-N 2 0 297.240 2.851 20 0 CFADRP c1ccc(COCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566010245 290340566 /nfs/dbraw/zinc/34/05/66/290340566.db2.gz GEPMSCKYXOQHMJ-GOSISDBHSA-N 2 0 288.435 2.669 20 0 CFADRP CC(C)[NH2+]CCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000566008462 290340778 /nfs/dbraw/zinc/34/07/78/290340778.db2.gz IIZSGNHSYIZECV-INIZCTEOSA-N 2 0 297.487 2.569 20 0 CFADRP [NH3+]CC1CCC([NH2+]CCc2nc3c(s2)CCCC3)CC1 ZINC000566091221 290347213 /nfs/dbraw/zinc/34/72/13/290347213.db2.gz FAXWJXLYUTZEGT-UHFFFAOYSA-N 2 0 293.480 2.672 20 0 CFADRP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000566245257 290361896 /nfs/dbraw/zinc/36/18/96/290361896.db2.gz GNCWBXYHYCUSGA-CYBMUJFWSA-N 2 0 255.365 2.700 20 0 CFADRP CC(C)C(C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C(C)C ZINC000566398183 290378006 /nfs/dbraw/zinc/37/80/06/290378006.db2.gz YOXHBZZBDXDABS-MRXNPFEDSA-N 2 0 284.488 2.597 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000566413991 290380036 /nfs/dbraw/zinc/38/00/36/290380036.db2.gz KPELJNJOROQDGA-SJORKVTESA-N 2 0 299.418 2.987 20 0 CFADRP COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000566413990 290380519 /nfs/dbraw/zinc/38/05/19/290380519.db2.gz KPELJNJOROQDGA-IRXDYDNUSA-N 2 0 299.418 2.987 20 0 CFADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000417862490 290386265 /nfs/dbraw/zinc/38/62/65/290386265.db2.gz CPDSYLOBGWJSGL-GJZGRUSLSA-N 2 0 268.445 2.798 20 0 CFADRP Cc1ncncc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000566473871 290390543 /nfs/dbraw/zinc/39/05/43/290390543.db2.gz DUPCKEOYJQMAKA-HUUCEWRRSA-N 2 0 290.455 2.948 20 0 CFADRP CCc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000566481762 290393049 /nfs/dbraw/zinc/39/30/49/290393049.db2.gz JWOBXWBMBJKQKJ-KURKYZTESA-N 2 0 289.467 2.711 20 0 CFADRP CSc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000566689284 290410634 /nfs/dbraw/zinc/41/06/34/290410634.db2.gz QIHCWPFXFYKGCC-OLZOCXBDSA-N 2 0 268.401 2.907 20 0 CFADRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000567895514 290503232 /nfs/dbraw/zinc/50/32/32/290503232.db2.gz MYINYHSRBAAMJO-INIZCTEOSA-N 2 0 295.386 2.709 20 0 CFADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000568075240 290521831 /nfs/dbraw/zinc/52/18/31/290521831.db2.gz GWCUYLQENSHIEW-QPSCCSFWSA-N 2 0 268.445 2.843 20 0 CFADRP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000568252758 290540678 /nfs/dbraw/zinc/54/06/78/290540678.db2.gz QAPBPVVVUUBWOE-SJJHQCBESA-N 2 0 299.418 2.718 20 0 CFADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000568415054 290553531 /nfs/dbraw/zinc/55/35/31/290553531.db2.gz FELXFQVWCDMEAA-OWCLPIDISA-N 2 0 288.435 2.975 20 0 CFADRP COC[C@]1(C[NH2+][C@@H]2CCCC23CCCCC3)CCC[NH2+]1 ZINC000423416545 293294374 /nfs/dbraw/zinc/29/43/74/293294374.db2.gz QYAJMOWKBUKOHX-NVXWUHKLSA-N 2 0 280.456 2.848 20 0 CFADRP Cc1nc2c(s1)[C@H]([NH2+]CCCC[NH+](C)C)CCC2 ZINC000360859607 293438119 /nfs/dbraw/zinc/43/81/19/293438119.db2.gz NVVVJQZHKFAZGW-GFCCVEGCSA-N 2 0 267.442 2.760 20 0 CFADRP Clc1ccccc1[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415061699 294116646 /nfs/dbraw/zinc/11/66/46/294116646.db2.gz KZVCDRABFKMNOQ-QUEVPRLRSA-N 2 0 276.811 2.784 20 0 CFADRP C[C@@H]1C[N@@H+]([C@H]2CCC(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000368051267 297074000 /nfs/dbraw/zinc/07/40/00/297074000.db2.gz LNMNRGYFCMHUGW-WBVHZDCISA-N 2 0 293.499 2.665 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H](C)[NH3+])sc1Br ZINC000414822666 533693881 /nfs/dbraw/zinc/69/38/81/533693881.db2.gz NLEGJEIKYWKPLG-QMMMGPOBSA-N 2 0 277.231 2.646 20 0 CFADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423359561 294484214 /nfs/dbraw/zinc/48/42/14/294484214.db2.gz DEDZYERFOKESHM-XZDPQHSOSA-N 2 0 262.397 2.622 20 0 CFADRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCCCC1 ZINC000423176358 295208999 /nfs/dbraw/zinc/20/89/99/295208999.db2.gz GYMYTBOKXBXKAK-BZUAXINKSA-N 2 0 280.456 2.833 20 0 CFADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCC(C(F)F)CC1 ZINC000335560312 295215588 /nfs/dbraw/zinc/21/55/88/295215588.db2.gz JHAKXQROIPMENZ-HGVNPNRVSA-N 2 0 272.383 2.916 20 0 CFADRP [NH3+]CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423317616 295228803 /nfs/dbraw/zinc/22/88/03/295228803.db2.gz CPPXVINWCGFMAJ-INIZCTEOSA-N 2 0 284.407 2.578 20 0 CFADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOC1CCCCCC1 ZINC000352504044 295239790 /nfs/dbraw/zinc/23/97/90/295239790.db2.gz MNPIRSQYGLPCAJ-OAHLLOKOSA-N 2 0 268.445 2.929 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000228353857 295255961 /nfs/dbraw/zinc/25/59/61/295255961.db2.gz RABLQRQQVBTCGN-OKZBNKHCSA-N 2 0 287.451 2.541 20 0 CFADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000422993227 295257184 /nfs/dbraw/zinc/25/71/84/295257184.db2.gz RFIXNYXQETYGBI-GOEBONIOSA-N 2 0 276.399 2.865 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000422839568 295267305 /nfs/dbraw/zinc/26/73/05/295267305.db2.gz QPUAUWZJISRCTJ-PBHICJAKSA-N 2 0 279.472 2.501 20 0 CFADRP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH3+])CCCS2 ZINC000423196263 295274234 /nfs/dbraw/zinc/27/42/34/295274234.db2.gz UZPLQWKRYMCMRV-CYBMUJFWSA-N 2 0 266.410 2.561 20 0 CFADRP [NH3+][C@@H]1CCCCC[C@@H]1NC1CC[NH+](C2CCCC2)CC1 ZINC000335516216 295296422 /nfs/dbraw/zinc/29/64/22/295296422.db2.gz JETBZHGEIYPCRV-SJORKVTESA-N 2 0 279.472 2.643 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000423482480 295304696 /nfs/dbraw/zinc/30/46/96/295304696.db2.gz XWDXJWVSKCUSCK-CQLXCSJHSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CCC(C(F)F)CC2)C1 ZINC000423482481 295311707 /nfs/dbraw/zinc/31/17/07/295311707.db2.gz XWDXJWVSKCUSCK-GMKTYKIGSA-N 2 0 260.372 2.917 20 0 CFADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000335017827 295332818 /nfs/dbraw/zinc/33/28/18/295332818.db2.gz NVAATNNTBIXLQF-WFBLGPOFSA-N 2 0 250.308 2.577 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000334847429 295336471 /nfs/dbraw/zinc/33/64/71/295336471.db2.gz MRGDWTDEBDVHBM-DZGCQCFKSA-N 2 0 266.429 2.585 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000044516627 295364924 /nfs/dbraw/zinc/36/49/24/295364924.db2.gz OLPLAYRIVXOZCG-AWEZNQCLSA-N 2 0 276.424 2.558 20 0 CFADRP COc1ccccc1C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414845409 295365347 /nfs/dbraw/zinc/36/53/47/295365347.db2.gz DILCQYPJORDLPY-SQWLQELKSA-N 2 0 276.424 2.604 20 0 CFADRP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856536 298379057 /nfs/dbraw/zinc/37/90/57/298379057.db2.gz OFSUTSYKFBSICC-VWYCJHECSA-N 2 0 252.324 2.695 20 0 CFADRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000310007035 298392498 /nfs/dbraw/zinc/39/24/98/298392498.db2.gz IFFDQCQIDQEPMN-HZPDHXFCSA-N 2 0 277.456 2.614 20 0 CFADRP C[C@H]([NH3+])CC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423225577 298960229 /nfs/dbraw/zinc/96/02/29/298960229.db2.gz NIJLZUTXXFKGQH-RCBQFDQVSA-N 2 0 296.842 2.757 20 0 CFADRP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422703785 301539021 /nfs/dbraw/zinc/53/90/21/301539021.db2.gz IQRNZUURJUBKAD-GOEBONIOSA-N 2 0 260.425 2.990 20 0 CFADRP Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423242357 301903772 /nfs/dbraw/zinc/90/37/72/301903772.db2.gz FIKDUZWYEXYCBX-HOCLYGCPSA-N 2 0 274.408 2.798 20 0 CFADRP Cc1ccccc1[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262034337 302219668 /nfs/dbraw/zinc/21/96/68/302219668.db2.gz OISCUUJAZHOCMM-RDJZCZTQSA-N 2 0 258.409 2.784 20 0 CFADRP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000335483268 303130809 /nfs/dbraw/zinc/13/08/09/303130809.db2.gz MBENNVQQYBFYGY-JKSUJKDBSA-N 2 0 262.372 2.803 20 0 CFADRP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000335213468 303132883 /nfs/dbraw/zinc/13/28/83/303132883.db2.gz BHOGZFZUNCCAAY-UKRRQHHQSA-N 2 0 278.371 2.771 20 0 CFADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227136333 303402373 /nfs/dbraw/zinc/40/23/73/303402373.db2.gz NVQDLMDAHMOYFJ-GVDBMIGSSA-N 2 0 258.409 2.651 20 0 CFADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000423172674 303422068 /nfs/dbraw/zinc/42/20/68/303422068.db2.gz UQTSORZNEJIITQ-POOIEITISA-N 2 0 260.372 2.917 20 0 CFADRP Cc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc2cccnc12 ZINC000414828816 533695736 /nfs/dbraw/zinc/69/57/36/533695736.db2.gz JKEZUBUDUYYUGJ-CQSZACIVSA-N 2 0 269.392 2.632 20 0 CFADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cscn1 ZINC000162408785 322364514 /nfs/dbraw/zinc/36/45/14/322364514.db2.gz WJSRWSUANMAYDU-LLVKDONJSA-N 2 0 253.415 2.526 20 0 CFADRP CCCCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000163037581 322372032 /nfs/dbraw/zinc/37/20/32/322372032.db2.gz ZTFIQAWAMIBCDZ-UHFFFAOYSA-N 2 0 282.351 2.813 20 0 CFADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000163257612 322374701 /nfs/dbraw/zinc/37/47/01/322374701.db2.gz SGPNBAMHJCRTAZ-CHWSQXEVSA-N 2 0 282.815 2.778 20 0 CFADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000164618116 322383431 /nfs/dbraw/zinc/38/34/31/322383431.db2.gz NCMXQTDOVGQCFC-HOTGVXAUSA-N 2 0 268.445 2.657 20 0 CFADRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Oc1cccc(F)c1 ZINC000165529581 322385085 /nfs/dbraw/zinc/38/50/85/322385085.db2.gz IAWKBGHNGYNCGG-YSVLISHTSA-N 2 0 294.414 2.913 20 0 CFADRP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000570044196 322510856 /nfs/dbraw/zinc/51/08/56/322510856.db2.gz AKXHEGQKSXWHPW-ZIAGYGMSSA-N 2 0 299.418 2.973 20 0 CFADRP C(CSCC1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000571043508 322566307 /nfs/dbraw/zinc/56/63/07/322566307.db2.gz MHRWSABWBKVFCU-UHFFFAOYSA-N 2 0 256.459 2.595 20 0 CFADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1CO ZINC000572234206 322611494 /nfs/dbraw/zinc/61/14/94/322611494.db2.gz ILDVEGNCVCTXNR-WMLDXEAASA-N 2 0 276.424 2.579 20 0 CFADRP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000573005165 322641106 /nfs/dbraw/zinc/64/11/06/322641106.db2.gz FIIBKVWUMWWMDB-UHFFFAOYSA-N 2 0 298.434 2.946 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+]CC1CC[NH2+]CC1 ZINC000573436949 322656147 /nfs/dbraw/zinc/65/61/47/322656147.db2.gz QDDWGXVLVHJXQK-INIZCTEOSA-N 2 0 274.408 2.662 20 0 CFADRP CC[NH+]1CCC(C[NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000575206603 322722249 /nfs/dbraw/zinc/72/22/49/322722249.db2.gz FRJJXGXATVLARZ-INIZCTEOSA-N 2 0 268.445 2.513 20 0 CFADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)COC)c1 ZINC000187862375 324003827 /nfs/dbraw/zinc/00/38/27/324003827.db2.gz XOQUXWBQOMJRIX-CQSZACIVSA-N 2 0 264.413 2.510 20 0 CFADRP COC[C@H](C)C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000188244811 324010869 /nfs/dbraw/zinc/01/08/69/324010869.db2.gz AXKIKJZLCLODSK-OAHLLOKOSA-N 2 0 276.424 2.655 20 0 CFADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](C)COC)CC1 ZINC000189658486 324031799 /nfs/dbraw/zinc/03/17/99/324031799.db2.gz ZPSNOFYKYYQVOM-HNNXBMFYSA-N 2 0 270.461 2.713 20 0 CFADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000192847293 324066386 /nfs/dbraw/zinc/06/63/86/324066386.db2.gz IUQKLKCHPFAUCF-RHSMWYFYSA-N 2 0 273.424 2.865 20 0 CFADRP C[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211948580 324110066 /nfs/dbraw/zinc/11/00/66/324110066.db2.gz OJYMAGUVXSJQPM-AWEZNQCLSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000211948520 324110611 /nfs/dbraw/zinc/11/06/11/324110611.db2.gz OJYMAGUVXSJQPM-CQSZACIVSA-N 2 0 258.409 2.954 20 0 CFADRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CC2CCC1CC2 ZINC000382228173 324426201 /nfs/dbraw/zinc/42/62/01/324426201.db2.gz VBOVKOLSJNEDMR-CHQKBHSXSA-N 2 0 250.430 2.933 20 0 CFADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CC2CCC1CC2 ZINC000382228176 324427335 /nfs/dbraw/zinc/42/73/35/324427335.db2.gz VBOVKOLSJNEDMR-WVTZPBJPSA-N 2 0 250.430 2.933 20 0 CFADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384561101 324448746 /nfs/dbraw/zinc/44/87/46/324448746.db2.gz HSZXDHLOBJWEGR-LJISPDSOSA-N 2 0 256.434 2.652 20 0 CFADRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cn2ccccc2n1 ZINC000387300499 324490136 /nfs/dbraw/zinc/49/01/36/324490136.db2.gz JSWFKXITPYGSJF-UHFFFAOYSA-N 2 0 274.412 2.544 20 0 CFADRP C[C@H](CCc1ccco1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000576146611 324583067 /nfs/dbraw/zinc/58/30/67/324583067.db2.gz WNEQQAFCKIWPAJ-KGLIPLIRSA-N 2 0 250.386 2.580 20 0 CFADRP c1ccc2c(c1)CCC([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000577600516 324755761 /nfs/dbraw/zinc/75/57/61/324755761.db2.gz CAVRGJPOZFWEFS-UHFFFAOYSA-N 2 0 258.409 2.523 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000578651809 324875436 /nfs/dbraw/zinc/87/54/36/324875436.db2.gz KQVZEYSQMAOTRI-GHMZBOCLSA-N 2 0 292.814 2.946 20 0 CFADRP [NH3+][C@@H]1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578668380 324877410 /nfs/dbraw/zinc/87/74/10/324877410.db2.gz AHIGKPDOYLEICW-GDBMZVCRSA-N 2 0 279.472 2.643 20 0 CFADRP COc1cccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000578873443 324897584 /nfs/dbraw/zinc/89/75/84/324897584.db2.gz UPLWFFMSWRAZHI-CYBMUJFWSA-N 2 0 262.397 2.736 20 0 CFADRP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000578906640 324901772 /nfs/dbraw/zinc/90/17/72/324901772.db2.gz QGIHCOPPIMMQGY-XBFCOCLRSA-N 2 0 282.815 2.967 20 0 CFADRP O[C@@H](C[NH2+]CCCCC[NH+]1CCCC1)CC1CCCC1 ZINC000579583927 324962145 /nfs/dbraw/zinc/96/21/45/324962145.db2.gz RZTWPNRVFQEXQC-QGZVFWFLSA-N 2 0 282.472 2.783 20 0 CFADRP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000580062958 325002900 /nfs/dbraw/zinc/00/29/00/325002900.db2.gz GXMDEFOEYIROET-XEZPLFJOSA-N 2 0 274.408 2.803 20 0 CFADRP C[C@H](C[NH+]1CCC(C)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000580330393 325027206 /nfs/dbraw/zinc/02/72/06/325027206.db2.gz IQFTZBWLUDKNKD-MRXNPFEDSA-N 2 0 293.499 2.571 20 0 CFADRP CC[N@H+](CCC[NH+](C)C)CC1Cc2ccccc2C1 ZINC000580504420 325040918 /nfs/dbraw/zinc/04/09/18/325040918.db2.gz XUCYGAJNZKAHJP-UHFFFAOYSA-N 2 0 260.425 2.675 20 0 CFADRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000580551024 325045213 /nfs/dbraw/zinc/04/52/13/325045213.db2.gz RRQKTFPOPCCZDQ-CJNGLKHVSA-N 2 0 262.397 2.611 20 0 CFADRP COCCC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000580939963 325076420 /nfs/dbraw/zinc/07/64/20/325076420.db2.gz QGKCNIVGUPOYEN-GJZGRUSLSA-N 2 0 268.445 2.833 20 0 CFADRP C[C@@H](Cc1ccsc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000581059448 325086575 /nfs/dbraw/zinc/08/65/75/325086575.db2.gz PCPYJUGANIVMDP-RAQOOLMWSA-N 2 0 250.411 2.552 20 0 CFADRP CCCc1cccc(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000581159147 325095766 /nfs/dbraw/zinc/09/57/66/325095766.db2.gz UCMBSMIMGQRZEZ-UHFFFAOYSA-N 2 0 291.483 2.564 20 0 CFADRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC000581179372 325097538 /nfs/dbraw/zinc/09/75/38/325097538.db2.gz YYOIQJOBFTXOTE-MFKMUULPSA-N 2 0 254.324 2.572 20 0 CFADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000581190814 325098693 /nfs/dbraw/zinc/09/86/93/325098693.db2.gz AMEUPJAFGYSPAB-CHWSQXEVSA-N 2 0 278.444 2.683 20 0 CFADRP Cc1ccccc1O[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000581200013 325100599 /nfs/dbraw/zinc/10/05/99/325100599.db2.gz LIDACASHMFKQBM-KFWWJZLASA-N 2 0 262.397 2.622 20 0 CFADRP [NH3+]CCC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000581552203 325131459 /nfs/dbraw/zinc/13/14/59/325131459.db2.gz PLCYQMJKAKRHSX-UHFFFAOYSA-N 2 0 296.418 2.704 20 0 CFADRP CC[N@H+](C)C[C@@H]1CCN(Cc2c(C)nsc2C)C1 ZINC000581645679 325138817 /nfs/dbraw/zinc/13/88/17/325138817.db2.gz VGLLIADFOOEJDL-ZDUSSCGKSA-N 2 0 267.442 2.534 20 0 CFADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(OC(F)F)cc2)C1 ZINC000581677920 325143142 /nfs/dbraw/zinc/14/31/42/325143142.db2.gz TWASDQHQZVZEKL-QWHCGFSZSA-N 2 0 284.350 2.690 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2ccc(OC(F)F)cc2)C1 ZINC000581677919 325143243 /nfs/dbraw/zinc/14/32/43/325143243.db2.gz TWASDQHQZVZEKL-OLZOCXBDSA-N 2 0 284.350 2.690 20 0 CFADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000581931363 325160485 /nfs/dbraw/zinc/16/04/85/325160485.db2.gz QCHHUMPYOOXZOY-MGPQQGTHSA-N 2 0 286.423 2.601 20 0 CFADRP Fc1ccc2c(c1F)C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000582365358 325198899 /nfs/dbraw/zinc/19/88/99/325198899.db2.gz RJVPKWGEURVAGQ-UHFFFAOYSA-N 2 0 280.362 2.713 20 0 CFADRP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)C1CCOCC1 ZINC000582473968 325208063 /nfs/dbraw/zinc/20/80/63/325208063.db2.gz VBCIBHHDUZGYRE-HOCLYGCPSA-N 2 0 268.445 2.513 20 0 CFADRP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000582600316 325218088 /nfs/dbraw/zinc/21/80/88/325218088.db2.gz RLHFLSXMZGXORR-RCBQFDQVSA-N 2 0 295.858 2.673 20 0 CFADRP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000582855791 325239945 /nfs/dbraw/zinc/23/99/45/325239945.db2.gz CKHYJFPOUWAXFG-CVEARBPZSA-N 2 0 284.407 2.540 20 0 CFADRP CC[NH+](CC)CCCN1CC[C@H](c2ccncc2)C1 ZINC000582943080 325246476 /nfs/dbraw/zinc/24/64/76/325246476.db2.gz TUNYZSBCPJDGAM-INIZCTEOSA-N 2 0 261.413 2.603 20 0 CFADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCc2cccc3[nH]ccc32)C1 ZINC000584124035 325332590 /nfs/dbraw/zinc/33/25/90/325332590.db2.gz RDRBRHXAZMGAGQ-KGLIPLIRSA-N 2 0 257.381 2.570 20 0 CFADRP C[C@H]1C[C@@H]([NH3+])CCN1Cc1cnc(-c2ccncc2)s1 ZINC000584180261 325336257 /nfs/dbraw/zinc/33/62/57/325336257.db2.gz HWULPJURAWIJIT-AAEUAGOBSA-N 2 0 288.420 2.517 20 0 CFADRP CC1(C)C([NH2+]C2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000584199810 325337408 /nfs/dbraw/zinc/33/74/08/325337408.db2.gz YJUCSVXUPLFLIJ-UHFFFAOYSA-N 2 0 250.430 2.885 20 0 CFADRP Cc1ccc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000584262626 325342129 /nfs/dbraw/zinc/34/21/29/325342129.db2.gz KYATVCYXXGBZHA-CQSZACIVSA-N 2 0 281.403 2.861 20 0 CFADRP CC(C)Oc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000584285652 325343523 /nfs/dbraw/zinc/34/35/23/325343523.db2.gz YDVUEVJZGBIMND-WBVHZDCISA-N 2 0 276.424 2.733 20 0 CFADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000584404698 329457779 /nfs/dbraw/zinc/45/77/79/329457779.db2.gz MPJNIOGYBSYVJL-ZJUUUORDSA-N 2 0 258.768 2.985 20 0 CFADRP